Drug_ID	Drug_Name	PubChem_CID	Synonymous	Drug_Status	Drug_Status_num	Highest_phase_class	Highest_phase	Drug_Type	NSC_Number	ChEBI_ID	DrugBank_ID	VARIDT_ID	INTEDE_ID	Molecular_Weight	Formula	Polararea	Complexity	xlogp	Heavycnt	Hbonddonor	Hbondacc	Rotbonds	InChI	isosmiles	InChIKey
DG00001	Triclosan	5564	"Triclosan; 3380-34-5; 5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL; 2,4,4'-Trichloro-2'-hydroxydiphenyl ether; Irgasan; Cloxifenolum; Triclosanum; Irgasan DP300; Stri-Dex Face Wash; Phenol, 5-chloro-2-(2,4-dichlorophenoxy)-; Lexol 300; Stri-Dex Cleansing Bar; 5-Chloro-2-(2,4-dichloro-phenoxy)-phenol; Triclosanum [INN-Latin]; CH 3565; DP-300; Caswell No 186A; C12H7Cl3O2; UNII-4NM5039Y5X; HSDB 7194; CHEBI:164200; Ether, 2'-hydroxy-2,4,4'-trichlorodiphenyl; Phenyl ether, 2'-hydroxy-2,4,4'-trichloro-; EINECS 222-182-2; CHEMBL849; EPA; Aquasept; Cliniclean; Cloxifenol; Manusept; Sapoderm; TCL; Trisan; Clearasil DailyFace Wash; Dermtek Brand of Triclosan; GlaxoSmithKline Brand of Triclosan; Microshield T; Oxy Skin Wash; Pharmachem Brand of Triclosan; Reckitt Brand of Triclosan; SSL Brand of Triclosan; Ster Zac Bath Concentrate; SterZac Bath Concentrate; Trans Canaderm Brand of Triclosan; Triclosan Pharmachem Brand; Triclosan Reckitt Brand; IN1424; Irgasan DP 300; CH-3565; Johnson & Johnson Brand of Triclosan; Procter & Gamble Brand of Triclosan; Ster-Zac Bath Concentrate; Stri-Dex cleansing bar (TN); Triclosan (USP/INN); Triclosan [USAN:BAN:INN]; 2,4,4'-Trichloro-2'-hydroxy diphenyl ether; 2-Hydroxy-2',4,4'-trichlorodiphenyl Ether; WL-1001"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:164200	DB08604	.	.	289.5	C12H7Cl3O2	29.5	252	5	17	1	2	2	"1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H"	C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl	XEFQLINVKFYRCS-UHFFFAOYSA-N
DG00002	Melphalan	460612	"Alkeran; Levofalan; Levofolan; Levopholan; Melfalan; Melfalano; Melphalanum; Alanine Nitrogen Mustard; Phenylalanine mustard; Phenylalanine nitrogen mu stard; Phenylalanine nitrogen mustard; AY3360000; CB 3025; ALKERAN (TN); Alkeran (TN); At-290; CB-3025; L-PAM; L-Phenylalanine mustard; L-Sarcolysin; L-Sarcolysine; L-Sarkolysin; Melfalano [INN-Spanish]; Melphalanum [INN-Latin]; SK-15673; TRANSGENIC MODEL EVALUATION (MELPHALAN); MELPHALAN (SEE ALSO TRANSGENIC MODEL EVALUATION (MELPHALAN)); P-L-Sarcolysin; P-L-sarcolysine; TRANSGENIC LEP (MELPHALAN) (SEE ALSO MELPHALAN); Melphalan (JP15/USP/INN); Melphalan [USAN:INN:BAN:JAN]; P-Bis(beta-chloroethyl)aminophenylalanine; P-N-Di(chloroethyl)aminophenylalanine; P-N-di(chloroethyl)aminophenylala nine; P-Di-(2-chloroethyl)amino-L-phenylalanine; P-N-Bis(2-chloroethyl)amino-L-phenylalanine; L-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine; L-3-(para-(Bis(2-chloroethyl)amino)phenyl)alanine; P-N,N-bis(2-chloroethyl)amino-L-phenylalanine; (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid; (2s)-2-amino-3-(4-[bis(2-chloroethyl)amino]phenyl)propanoic acid; 3-(p-(Bis(2-chloroethyl)amino)phenyl)-L-alanine; 3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine; 3-p-(Di(2-chloroethyl)amino)-phenyl-L-alanine; 4-(Bis(2-chloroethyl)amino)-L-phenylalanine; 4-[Bis(2-chloroethyl)amino]-L-phenylalanine; 4-[Bis-(2-chloroethyl)amino]-L-phenylalanine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28876	DB01042	DR00379	DR1021	305.2	C13H18Cl2N2O2	66.6	265	-0.5	19	2	4	8	"1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1"	C1=CC(=CC=C1C[C@@H](C(=O)O)N)N(CCCl)CCCl	SGDBTWWWUNNDEQ-LBPRGKRZSA-N
DG00003	Capecitabine	60953	"Capecitabin; Capecitabina; Capecitabinum; Capecitibine; Capiibine; Caxeta; Xabine; Xeloda; Capecitabine [USAN]; R340;R-340; RG-340; Ro 09-1978; Xeloda (TN); Ro 09-1978/000; Ro-09-1978; Xeloda, Captabin, Capecitabine; Capecitabine (JAN/USAN/INN); Ro-09-1978/000; N(4)-Pentyloxycarbonyl-5'-deoxy-5-fluorocytidine; Pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate; Pentyl [1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]carbamate; Carbamic acid, (1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-, pentyl ester; Pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate; (1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester; 5'-Deoxy-5-fluoro-N-((pentyloxy)carbonyl)cytidine; 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine; Capecitabine (Fluoropyrimidine)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31348	DB01101	DR00380	DR0266	359.35	C15H22FN3O6	121	582	0.6	25	3	7	7	"1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1"	CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O	GAGWJHPBXLXJQN-UORFTKCHSA-N
DG00004	Mezlocillin	656511	"Mezlin; Mezlocilina; Mezlocillinum; Mezlocillin (USAN/INN); (2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-3,3-dimethyl-6-{[(2R)-2-({[3-(methylsulfonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 6beta-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylic acid; 6beta-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6919	DB00948	.	.	539.6	C21H25N5O8S2	207	1080	-0.2	36	3	9	6	"1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)O)C	YPBATNHYBCGSSN-VWPFQQQWSA-N
DG00005	Benzylpenicillin	5904	Penicillin g; Benzylpenicillinic acid; Free penicillin II; Pencillin G; 61-33-6; Benzylpenicillin G; Bencilpenicilina; Benzylpenicillinum; Benzyl penicillin; Free penicillin G; Dropcillin; Pharmacillin; Gelacillin; Liquacillin; Benzopenicillin; Cilopen; Pradupen; Benzylpenicilline; Specilline G; Cilloral; Cosmopen; Ursopen; Galofak; Free benzylpenicillin; Compocillin G; Phenylacetamidopenicillanic acid; 6-(2-Phenylacetamido)penicillanic acid; Pfizerpen; Benzyl-6-aminopenicillinic acid	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:18208	DB01053	DR00488	DR2164	334.4	C16H18N2O4S	112	530	1.8	23	2	5	4	"1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C	JGSARLDLIJGVTE-MBNYWOFBSA-N
DG00006	Apigenin	5280443	"Apigenin; 520-36-5; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; Chamomile; Versulin; Spigenin; Apigenol; 4',5,7-Trihydroxyflavone; Apigenine; C.I. Natural Yellow 1; 5,7,4'-Trihydroxyflavone; Pelargidenon 1449; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; UCCF 031; NSC 83244; UNII-7V515PI7F6; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; CCRIS 3789; CHEBI:18388; CHEMBL28; EINECS 208-292-3; 4H-1-Benzopyran-4-one, 5,7-di"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:18388	DB07352	DR00822	.	270.24	C15H10O5	87	411	1.7	20	3	5	1	"1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H"	C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O	KZNIFHPLKGYRTM-UHFFFAOYSA-N
DG00007	Nilotinib	644241	"NIL; Nilotinibum; Tasigna (Novartis); Nilotinib (INN/USAN); Nilotinib, AMN107, Tasigna; Tasigna, AMN-107, Nilotinib; L-1-yl)-3-(trifluoromethyl)phenyl]benzamide; Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-(9CI); 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazo; 4-Methyl-N-(3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-pyridin-3-ylpyrimidin-2-yl)amino)benzamide; 4-Methyl-N-[3-(4-methylimidazol-1-yl)-5-trifluoromethylphenyl]-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]benzamide; 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide; Nilotinib (BCR-ABL inhibitor 2nd gen)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:52172	DB04868	DR00013	.	529.5	C28H22F3N7O	97.6	817	4.9	39	2	9	6	"1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)"	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N
DG00008	Adefovir	60172	"ADEFOVIR; 106941-25-7; PMEA; ((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)phosphonic acid; 9-(2-Phosphonylmethoxyethyl)adenine; GS-0393; GS 0393; GS 393; 9-(2-(Phosphonomethoxy)ethyl)adenine; N-(2-Phosphonylmethoxyethyl)adenine; DRG-0156; UNII-6GQP90I798; C8H12N5O4P; HSDB 8079; CHEMBL484; 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; BRN 3561094; {[2-(6-Amino-9h-Purin-9-Yl)ethoxy]methyl}phosphonic Acid; N-(2-Phophonomethoxyethyl-2,6-diaminopurine); Phosphonic acid, [[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]-; 6GQP90I798"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2469	DB13868	DR00015	.	273.19	C8H12N5O4P	136	327	-2	18	3	8	5	"1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)"	C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)N	SUPKOOSCJHTBAH-UHFFFAOYSA-N
DG00009	Pulvomycin	5282056	Pulvomycin; AC1NQZFA; C12070; 11006-66-9; CHEBI:29668	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:29668	.	.	.	839	C47H66O13	199	1700	5	60	5	13	13	"1S/C47H66O13/c1-29-20-19-21-31(3)42(53)38(50)24-17-11-10-12-18-25-40(60-41(52)27-26-30(2)39(51)28-29)33(5)43(54)32(4)36(48)22-15-13-14-16-23-37(49)34(6)58-47-46(57-9)44(55)45(56-8)35(7)59-47/h10-24,26,28,32-35,37-40,43-47,49-51,54-55H,25,27H2,1-9H3/b11-10+,14-13+,18-12+,20-19+,22-15+,23-16+,24-17+,29-28+,30-26-,31-21+/t32 ,33 ,34 ,35-,37 ,38 ,39 ,40 ,43 ,44+,45+,46-,47-/m1/s1"	C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC(C)C(/C=C/C=C/C=C/C(=O)C(C)C(C(C)C2C/C=C/C=C/C=C/C(C(=O)/C(=C/C=C/C(=C/C(/C(=C\\CC(=O)O2)/C)O)/C)/C)O)O)O)OC)O)OC	FXSFWUNCIOIMAC-YHQXOMPPSA-N
DG00010	Baicalein	5281605	"Baicalein; 491-67-8; 5,6,7-Trihydroxyflavone; 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one; Noroxylin; Biacalein; BaiKalein; Baicelein; UNII-49QAH60606; NSC661431; NSC 661431; CHEMBL8260; 5,6,7-trihydroxy-2-phenylchromen-4-one; CHEBI:2979; FXNFHKRTJBSTCS-UHFFFAOYSA-N; MFCD00017459; 4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-phenyl-; 49QAH60606; 5,7-Trihydroxyflavone; 5,6,7-trihydroxy-2-phenyl-chromen-4-one; Sho-saiko-to; SMR000112462; SR-01000597499; Baicalein, 8; Baicalein,(S); 3WL; Baicalein, 14; Baicalein, 98%; AC1NQYPP; Tocris-1761"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2979	DB16101	.	.	270.24	C15H10O5	87	413	1.7	20	3	5	1	"1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H"	C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O	FXNFHKRTJBSTCS-UHFFFAOYSA-N
DG00011	Dolutegravir	54726191	"1051375-16-6; GSK1349572; Tivicay; S/GSK1349572; Dolutegravir (GSK1349572); S-349572; GSK-1349572; GSK 1349572; UNII-DKO1W9H7M1; (4r,12as)-N-(2,4-Difluorobenzyl)-7-Hydroxy-4-Methyl-6,8-Dioxo-3,4,6,8,12,12a-Hexahydro-2h-Pyrido[1',2':4,5]pyrazino[2,1-B][1,3]oxazine-9-Carboxamide; CHEBI:76010; DKO1W9H7M1; Tivicay (TN); (4R,12aS)-N-[(2,4-Difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide; Dolutegravir Sodium ("	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:76010	DB08930	DR00383	.	419.4	C20H19F2N3O5	99.2	829	2.4	30	2	8	3	"1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1"	C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O	RHWKPHLQXYSBKR-BMIGLBTASA-N
DG00012	Caspofungin	2826718	"CASPO; Cancidas; Capsofungin; Caspofungin [INN]; M991; Cancidas (TM); Cancidas (TN); Caspofungin (INN); MK-0991; L-743,872; [1(R)-hydroxyethyl]-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0(9,13)]heptacosane-2,5,8,14,17,23-hexaone diacetate; Pneumocandin B0, 1-[(4R,5S)-5-[(2-aminoethyl)amino]-N2-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-L-ornithine]-(9CI); (4R,5S)-5-((2-Aminoethyl)amino)-N(sup 2)-(10,12-dimethyltetradecanoyl)-4-hydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-ornithyl-trans-3-hydroxy-L-proline cyclic (6-1)-peptide; (4R,5S)-5-((2-aminoethyl)amino)-N(2)-(10,12-dimethyltetradecanoyl)-4-hydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-ornithyl-trans-3-hydroxy-L-proline cyclic (6-1)-peptide; 1-[(4R,5S)-5-[(2-aminoethyl)amino]-N(2)-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-L-ornithine]-pneumocandin B0"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:474180	DB00520	DR00493	.	1093.3	C52H88N10O15	412	1900	0.3	77	16	18	23	"1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28 ,29 ,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1"	CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CCN)O)O)NCCN)O	JYIKNQVWKBUSNH-OGZDCFRISA-N
DG00013	Terbinafine	1549008	"Bramazil; Lamasil; TerbiFoam; Terbina; Lamisil AT; Lamisil Tablet; Ternbinafine HCl; Lamasil (TN); Lamisil (TN); SF 86-327; Terbisil (TN); Zabel (TN); SF-86-327; Terbinafine (USAN/INN); Terbinafine [USAN:BAN:INN]; Lamisil, Terbinex, Corbinal, Zabel, Terbinafine; Terbinafine, SF-86-327, Lamisil, TBNF; (2E)-N,6,6-trimethyl-N-(1-naphthylmethyl)-2-hepten-4-yn-1-amine; (2E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine; (E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine; (E)-N-(6,6-Dimethyl-2-hepten-4-ynyl)-N-methyl-1-naphthalene methanamine; (E)-N-(6,6-Dimethyl-2-hepten-4-ynyl)-N-methyl-1-naphthalenemethylamine; (E)-N-(6,6-dimethyl-2-heptenynyl)-N-methyl-1-naphthalenementhamin hydrochloride"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9448	DB00857	.	.	291.4	C21H25N	3.2	428	5.6	22	0	1	5	"1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+"	CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21	DOMXUEMWDBAQBQ-WEVVVXLNSA-N
DG00014	Ginsenoside Rg3	9918693	(20S)-ginsenoside Rg3	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:67991	.	.	DR2671	785	C42H72O13	219	1370	4	55	9	13	10	"1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1"	CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O)C	RWXIFXNRCLMQCD-JBVRGBGGSA-N
DG00015	Teniposide	452548	"PTG; Teniposido; Teniposidum; Vehem; Vumon; Demethyl Epipodophyllotoxin Thenylidine Glucoside; VM 26; Teniposido [INN-Spanish]; Teniposidum [INN-Latin]; VM-26; Vee M-26; Veham-Sandoz; Vumon (TN); Teniposide (USAN/INN); Teniposide [USAN:BAN:INN]; VM-26 (TN); Vumon, VM-26, Vehem, NSC 122819, Teniposide; Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-2-thenylidene-beta-D-glucopyranoside); 4'-Demethyl-epipodophyllotoxin-beta-D-thenylidene-glucoside; 4'-Demethylepipodophyllotoxin 9-(4,6-O-(R)-2-thenylidene-beta-D-glucopyranoside); 4'-Demethylepipodophyllotoxin 9-(4,6-O-2-thenylidene-beta-D-glucopyranoside); 4'-Demethylepipodophyllotoxin thenylidene glucoside; 4'-Demethylepipodophyllotoxin-beta-D-thenylidine glucoside; 4'-Dimethyl-9-(4,6-O-2-thenyid)-epipodophyllotoxin; 4-Demethylepipodophyllotoxin-.beta.-D-thenylideneglucoside"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00444	DR00021	DR1550	656.7	C32H32O13S	189	1090	1.2	46	3	14	6	"1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N
DG00016	Cephapirin	30699	"CEPR; Cefa; Cefadyl; Cefapirin; Cefapirina; Cefapirine; Cefapirinum; Cefaprin; Cephapirine; Metricure; CEPHAPIRIN SODIUM; Cefaprinsodium; Cephapirin Monosodium Salt; ANTIBIOTIC BL-P1322; BL-P 1322; Cefa-ak; Cefadyl (TN); Cefapirin (BAN); Cefapirin [INN:BAN]; Cefapirina [INN-Spanish]; Cefapirine [INN-French]; Cefapirinum [INN-Latin]; Metricure (TN); (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure; (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-{[(pyridin-4-ylthio)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-acetoxymethyl-7-[(pyridin-4-ylsulfanyl)acetamido]-3,4-didehydrocepham-4-carboxylic acid; 3-(Hydroxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamidol-5-thia-1-azabicyclo(4.2.0)oct-2-en-2carbonsaeure acetat; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamido)-, acetate (ester); 7-(2-(4-Pyridylthio)acetamido)cephalosporanic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:554446	DB01139	DR00495	.	423.5	C17H17N3O6S2	177	707	-1.1	28	2	9	8	"1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1"	CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O	UQLLWWBDSUHNEB-CZUORRHYSA-N
DG00017	Vinorelbine	5311497	"Eunades; Exelbine; NVB; Navelbine; Vinorelbin; Vinorelbina; Vinorelbinum; Navelbine base; Vinorelbina [Spanish]; Vinorelbine Ditartarate; Vinorelbine ditartrate; Vinorelbine tartrate; Vinorelbinum [Latin]; KW 2307; KW 2307 base; ANX-530; KW-2307; Navelbine (TN); SDP-012; Vinorelbine (INN); Vinorelbine [INN:BAN]; Aspidospermidine-3-carboxylic acid; Nor-5'-anhydrovinblastine; Methyl (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-acetoxy-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate; Methyl (2b,3b,4b,5a,12b,19a)-4-(acetyloxy)-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:480999	DB00361	DR01343	.	778.9	C45H54N4O8	134	1690	3.6	57	2	11	10	"1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38+,39+,42+,43+,44-,45-/m0/s1"	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N
DG00018	Raltitrexed	135400182	"Tomudex; 112887-68-0; ZD1694; ZD-1694; ICI-D1694; D-1694; ZD 1694; ICI D1694; UNII-FCB9EGG971; D1694; D 1694; CHEBI:5847; Raltitrexed (Tomudex); C21H22N4O6S; ZD-16; (2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid; FCB9EGG971; CHEMBL225071; N-(5-(N-(3,4-Dihydro-2-methyl-4-oxoquinazolin-6-ylmethyl)-N-methylamino)-2-thenoyl)-L-glutamic acid; ICI-D-1694; NSC-639186; NCGC00229704-01; DSSTox_RID_81653; DSSTox_CID_26482; DSSTox_GSID_46482"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5847	DB00293	DR00958	.	458.5	C21H22N4O6S	177	790	1.4	32	4	9	9	"1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1"	CC1=NC2=C(C=C(C=C2)CN(C)C3=CC=C(S3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)N1	IVTVGDXNLFLDRM-HNNXBMFYSA-N
DG00019	Fexofenadine	3348	"Carboxyterfenadine; Fexofendine; Terfenadine acid metabolite; Terfenadine carboxylate; F 9427; MDL 16455; Allegra (TN); Fastofen (TN); Fexofenadine (INN); Fexofenadine [INN:BAN]; Telfast (TN); Terfenadine-COOH; Terfenidine carboxylate, MDL 16455; Tilfur (TN); 2-[4-(1-hydroxy-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butyl)phenyl]-2-methylpropanoic acid; 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid; 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5050	DB00950	DR00026	.	501.7	C32H39NO4	81	678	3	37	3	5	10	"1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)"	CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O	RWTNPBWLLIMQHL-UHFFFAOYSA-N
DG00020	Carmustine	2578	"Carmustine; carmustine; 154-93-8; 1,3-Bis(2-chloroethyl)-1-nitrosourea; BCNU; Carmustin; Nitrumon; Carmubris; Gliadel; BiCNU; Bi CNU; Carmustinum; Bischlorethylnitrosurea; Bischlorethylnitrosourea; Carmustina; Becenun; Becenum; Bischloroethyl nitrosourea; N,N'-BIS(2-CHLOROETHYL)-N-NITROSOUREA; Bis(2-chloroethyl)nitrosourea; Urea, N,N'-bis(2-chloroethyl)-N-nitroso-; Gliadel Wafer; FDA 0345; Bischloroethylnitrosourea; SRI 1720; 1,3-Bis(2-chloroethyl)nitrosourea; BiCNU (TN); Carmustinum [INN-Latin]; Carmustina [INN-Spanish]; DTI 015; NCI-C04773; SK; BCNU; Injectable carmustine, Direct Therapeutics"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3423	DB00262	.	DR0278	214.05	C5H9Cl2N3O2	61.8	156	1.5	12	1	3	4	"1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)"	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N
DG00021	Cefalotin	6024	"Cefalothin; Cefalotina; Cefalotine; Cefalotinum; Cemastin; Cephalothinum; Cephalotin; Coaxin; Cefalotina fabra; Cephalothin Monosodium Salt; Averon-1; Cefalotin (BAN); Cefalotina [INN-Spanish]; Cefalotina fabra (TN); Cefalotine [INN-French]; Cefalotinum [INN-Latin]; Keflin (TN); (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 3-(Acetoxymethyl)-8-oxo-7-(2-(2-thienyl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; 3-(Hydroxymethyl)-8-oxo-7-(2-(2-thienyl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid acetate; 3-ACETOXYMETHYL-8-OXO-7-(2-THIOPHEN-2-YL-ACETYLAMINO)-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID; 3-Acetoxymethyl-7-(2-thienylacetamido)-3-cephem-4-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-(2-(2-thienyl)acetamido)-, acetate (ester); 6R-trans-3-((Acetyloxy)methyl)-8-oxo-7-((2-thienylacetyl)amino)-5-thia-1-azabicyclo(4.2.0)-oct-2-ene-2-carboxylic acid; 7-(2-(2-Thienyl)acetylamido)cephalosporanic acid; 7-(2-Thienylacetamido)cephalosporanic acid; 7-(Thiophene-2-acetamido)cephalosporanic acid; 7-(Thiophene-2-acetamido)cephalosporin; 7beta-(thiophen-2-ylacetamido)-3-acetoxymethyl-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:124991	DB00456	.	DR2178	396.4	C16H16N2O6S2	167	680	-0.4	26	2	8	7	"1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1"	CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O	XIURVHNZVLADCM-IUODEOHRSA-N
DG00022	Copper	23978	Cu-7; Paragard T 380a; Tatum-t	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28694	DB09130	.	.	63.55	Cu	0	0	.	1	0	0	0	1S/Cu	[Cu]	RYGMFSIKBFXOCR-UHFFFAOYSA-N
DG00023	Daunorubicin	30323	"Daunorubicin; Daunomycin; 20830-81-3; Rubidomycin; Cerubidine; Daunorubicine; Acetyladriamycin; Leukaemomycin C; Daunorubicinum; Daunarubicinum; Daunorrubicina; Daunamycin; Cerubidin; DaunoXome; Rubomycin C; (+)-Daunomycin; Daunoblastin; Anthracyline; Rubomycin; Daunorubicinum [INN-Latin]; RP 13057; Daunorubicin [INN:BAN]; RCRA waste no U059; FI6339; NSC-82151; DAUNORUBICIN HCL; DaunoXome (TN); UNII-ZS7284E0ZP; CCRIS 914; ZS7284E0ZP; CHEBI:41977; HSDB 5095; C27H29NO10; NCI-C04693; EINECS 244-069-7; Ondena; NSC 83142; Acetyladriamycin; Daunoblastine; Antibiotics from Streptomyces coeruleorubidus; DM1; FI 6339; Dauno-Rubidomycine; Daunorubicin (INN); Daunorubicin (liposomal); Daunorubicin, Hydrochloride; VS-103; (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-(methyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside; (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranoside; (7S,9R)-9-Acetyl-7-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; (8S-cis)-8-Acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyrannosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-napthacenedione; (8S-cis)-8-Acetyl-10-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione; Anthracycline"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:41977	DB00694	DR00284	DR0424	527.5	C27H29NO10	186	960	1.8	38	5	11	4	"1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1"	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O	STQGQHZAVUOBTE-VGBVRHCVSA-N
DG00024	Zidovudine	35370	"Zidovudine; Azidothymidine; 30516-87-1; 3'-Azido-3'-deoxythymidine; Retrovir; AZT; Zidovudinum; Compound S; Thymidine, 3'-azido-3'-deoxy-; ZIDOVUDINE [AZT]; zidovudin; BW A509U; Zidovudinum [Latin]; Zidovudina [Spanish]; BWA509U; DRG-0004; 3'-Azido-2',3'-Dideoxythymidine; ZDV; UNII-4B9XT59T7S; 3'-Deoxy-3'-azidothymidine; CCRIS 105; Aztec; BW-A509U; BW-A-509U; HSDB 6515; 3'-Azido-3'-deoxythymidine (AIDS); CHEMBL129; NSC 602670; BW-A 509U; MLS000028548; 4B9XT59T7S; AZT; Antiviral; Azidodeoxythymidine; ZVD; Zidovudin; Zidovudina; AZT Antiviral; AZT TRANSPLACENTAL CARCINOGENESIS STUDY; Antiviral AZT; Cpd S; Racemic Liposomal AZT; Zidovudine EP III; BWA 509U; K7 [P Ti2 W10 O40]; AZT & EPO; AZT & HPA; AZT & Lymphoblastoid Interferon; AZT & SST; AZT & rsT4; AZT & sCD4; AZT & srCD4; AZT (Antiviral); AZT+PRO 140; AZT, Antiviral; Apo-Zidovudine; BWA-509U; Intron A & AZT; Novo-Azt; Propolis+AZT; Retrovir (TN); Retrovir(TM); Retrovis (TN); Zidovudine+PRO 140; AZT & Colony-stimulating factor 2; AZT & Concanavalin A (ConA); AZT & GM-CSF; AZT & IFN-alpha; AZT & IL-1; AZT & IL-2; AZT & IL-6; AZT & Li & EPO; AZT & NP (from PHCA or HSA); AZT & PM-19; DS-4152 & AZT; Liposomal AZT-SN-1; Liposomal AZT-SN-3; PC-SOD+AZT;RIFN-beta seron & AZT; AZT & CD4(178)-PE 40; AZT & Li & GM-CSF; AZT & Li & IL-1; AZT & Li & IL-6; AZT & rIFNalpha2; Racemic-dipalmitoylglycerophospho-AZT (in a lipid vesicle); Zidovudine (JAN/USP/INN); Zidovudine [USAN:INN:BAN:JAN]; AZT & rsCD4 & rIFNalphaA; SN-1-dipalmitoylglycerophospho-AZT (in a lipid vesicle); SN-3-dipalmitoylglycerophospho-AZT (in a lipid vesicle); AZT & Interferon-alpha-2; Met-SDF-1beta & AZT; Met-SDF-1beta & Zidovudine; Interferon AD + 3'-azido-3'-deoxythymidine; 1-(3-Azido-2,3-dideoxy-beta-D-ribofuranosyl)thymine; 3′-Azido-3′-deoxythymidine; 3' Azido 2',3' Dideoxythymidine; 3' Azido 3' deoxythymidine; 3'-Azido-3'-deoxythymidine & Concanavalin A; 3'-Azido-3'-deoxythymidine & Erythropoietin; 3'-Azido-3'-deoxythymidine & Heteropolyoxotungstate PM-19; 3'-Azido-3'-deoxythymidine & Interleukin-1; 3'-Azido-3'-deoxythymidine & Interleukin-2; 3'-Azido-3'-deoxythymidine & Interleukin-6; 3'-Azido-3'-deoxythymidine & Lithium & Erythropoietin; 3'-Azido-3'-deoxythymidine & Lithium & Interleukin-1; 3'-Azido-3'-deoxythymidine & Lithium & Interleukin-6; 3'-Azido-3'-deoxythymidine & Lymphoblastoid Interferon; 3'-Azido-3'-deoxythymidine & Sho-Saiko-To; 3'-Azido-3'deoxythymidine & Interferon-alpha; 3'-Azidothymidine; 3'-azido-3'-deoxythymidine, AZT; 3-Azido-3-deoxythymidine; Dendrigen; CTCE-0422"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:10110	DB00495	DR00296	DR1729	267.24	C10H13N5O4	93.2	484	0	19	2	6	3	"1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1"	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]	HBOMLICNUCNMMY-XLPZGREQSA-N
DG00025	Chlorpromazine	2726	Aminasine; Aminazin; Aminazine; Ampliactil; Amplicitil; Amplictil; BC 135; Chlor-PZ; Chlor-Promanyl; Chlordelazine; Chlorderazin; Chloropromazine; Chlorpromados; Chlorpromanyl (discontinued); Chlorpromazin; Chlorpromazine (USP/INN); Chlorpromazine Tannate; Chlorpromazine [USAN:INN:BAN]; Chlorpromazinum; Chlorpromazinum [INN-Latin]; Clorpromazina; Clorpromazina [INN-Spanish]; Clorpromazina [Italian]; Contomin; Cromedazine; Elmarin; Esmind; Fenactil; Fenaktyl; Fraction AB; HL 5746; JHICC02042; Largactil; Largactil (TN); Largactil Liquid; Largactil Oral Drops; Largactilothiazine; Largactyl; Megaphen; Novo-Chlorpromazine; Novomazina; Phenactyl; Phenathyl; Phenothiazine hydrochloride; Plegomasine; Plegomazin; Prazilpromactil; Proma; Promactil; Promazil; Propaphen; Propaphenin; Prozil; Psychozine; SKF 2601-A; SKF 2601A; SKF-2601; Sanopron; Thorazine; Thorazine (TN); Thorazine Spansule; Thorazine Suppositories; Thorazine hydrochloride; Torazina; Wintermin; Z80	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3647	DB00477	DR00502	.	318.9	C17H19ClN2S	31.8	339	5.2	21	0	3	4	"1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3"	CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl	ZPEIMTDSQAKGNT-UHFFFAOYSA-N
DG00026	Silibinin	31553	"Silibinin; Silybin; 22888-70-6; Flavobin; Silymarin I; Silybin A; Silybine; Silibinine; Silliver; Silibinin A; Silibininum; Silibinina; Flavobin Spofa; Silymarine I; Silibinin [INN]; Silymarine; Silibininum [INN-Latin]; Silibinine [INN-French]; Silibinina [INN-Spanish]; 7C3MT; UNII-33X338MNE4; EINECS 245-302-5; NSC 651520; Silimarin; Silibin; CHEBI:9144; 33X338MNE4; Silibinin (INN); NSC651520; C25H22O10; NCGC00091057-01; DSSTox_CID_6018; DSSTox_RID_77985; DSSTox_GSID_26018; (2R,3R)-3,5,7-trihydroxy-2-((2R,3R)-3-(4-hydroxy-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9144	DB09298	DR00388	.	482.4	C25H22O10	155	750	2.4	35	5	10	4	"1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1"	COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O	SEBFKMXJBCUCAI-HKTJVKLFSA-N
DG00027	Tretinoin	444795	"Retinoic acid; tretinoin; 302-79-4; Vitamin A acid; all-trans-Retinoic acid; trans-Retinoic acid; ATRA; Airol; Retin-A; Vesanoid; Renova; Dermairol; Aknoten; Eudyna; Aberel; all-trans-Vitamin A acid; Aknefug; All-trans Retinoic Acid; Cordes vas; Epi-aberel; Atralin; Vitamin A1 acid, all-trans-; Tretin M; Retin-A Micro; all-trans-Vitamin A1 acid; Vitamin A acid, all-trans-; all-trans-Tretinoin; Effederm; Retionic acid; TRETINON; Retinoic acid, all-trans-; Alltrans-retinoic acid; beta-Ra; all-(E)-Retinoic acid; beta-Retinoic acid; Avitoin; Aberela; Acnavit; Atragen; Betarretin; Lsotretinoin; Nexret; Panretyn; REA; Retacnyl; Retinoate; Retinova; Solage; Tretinoina; Tretinoine; Tretinoino; Tretinoinum; Vesnaroid; Vitinoin; Aberela [Norway]; Accutane Roche; Acnavit [Denmark]; All Trans Retinoic Acid; Avita Gel; Avitoin [Norway]; Beta all trans Retinoic Acid; Cordes VAS [Germany]; Effederm [France]; Panretin Gel; Retin A; Trans Retinoic Acid; Tretinoin Potassium Salt; Tretinoin Sodium Salt; Tretinoin Zinc Salt; Tretinoin liposome; AGN100335; AGN 192013; ALRT 1057; BAL4079; LGD 100057; R 2625; [3H]Retinoic acid; A-Vitaminsyre; A-Vitaminsyre [Denmark]; AT-RA; Aberela (TN); Acid, Retinoic; Acid, Vitamin A; All trans-Retinoic acid; Atra-IV; Avita (TN); B-Retinoic acid; BML2-E05; Beta-Ra; Beta-Retinoic acid; Potassium Salt, Tretinoin; RETINOIC ACID, ALL TRANS; Renova (TN); Retin A (TN); Retisol-A; Ro 1-5488; Salt, Tretinoin Potassium; Salt, Tretinoin Sodium; Salt, Tretinoin Zinc; Sodium Salt, Tretinoin; Stieva-A; Stieva-a Forte; Trans-Retinoicacid; Tretinoin (TN); Tretinoina [INN-Spanish]; Tretinoine [INN-French]; Tretinoino [INN-Spanish]; Tretinoinum [INN-Latin]; Tri-Luma; Vesanoid (TN); Zinc Salt, Tretinoin; A-Acido (Argentina); Acid A Vit (Belgium, Netherlands); Acid, trans-Retinoic; Acide retinoique (French) (DSL); All-trans-Retinoic acid; All-trans-Tretinoin; All-trans-Vitamin A acid; All-trans-Vitamin A1 acid; PDT-002-002; Retin-A (TN); Stieva-A (TN); Tretinoin 01% cream or placebo; Tretinoin [USAN:INN:BAN]; Tretinoin/All-Trans Retinoic Acid; Tretinoine (French) (EINECS); Acid, all-trans-Retinoic; All-(E)-Retinoic acid; All-trans-b-Retinoic acid; All-trans-beta-Retinoic acid; Beta-all-trans-Retinoic acid; Tretinoin (JAN/USP/INN); Acid, beta-all-trans-Retinoic; Retinoic acid, all-trans-(8CI); Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Tretinoin; 15-Apo-beta-caroten-15-oic acid; 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid; 9(Z)-Retinoic acid; 9-cis-RA; 9-trans-retinoic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:15367	DB00755	DR00154	DR1634	300.4	C20H28O2	37.3	567	6.3	22	1	2	5	"1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+"	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N
DG00029	Glutathione	124886	Glutathione; 70-18-8; Glutathion; Isethion; Tathion; Glutathione-SH; Glutinal; reduced glutathione; Neuthion; Deltathione; Copren; L-Glutathione reduced; Glutide; Tathione; Triptide; Ledac; Glutatione; GSH; Glutatiol; Panaron; gamma-L-Glutamyl-L-cysteinylglycine; Glutathione SH; L-Glutatione; Glutathione (reduced); Agifutol S; L-gamma-glutamyl-L-cysteinylglycine; gamma-L-glutamyl-L-cysteinyl-glycine; 5-L-Glutamyl-L-cysteinylglycine; Glutathione [JAN]; glutathione red; gamma-L-Glutamylcysteinylglycine; red. glutathione	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16856	DB00143	DR00039	DR2036	307.33	C10H17N3O6S	160	389	-4.5	20	6	8	9	"1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1"	C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	RWSXRVCMGQZWBV-WDSKDSINSA-N
DG00030	Digoxin	2724385	"Digoxin; 20830-75-5; 12beta-Hydroxydigitoxin; Digoxine; Lanoxin; Lanoxicaps; Digossina; Digoxina; Digoxinum; Digosin; Lanicor; Digacin; Dilanacin; CHEBI:4551; MLS000069819; Lanacordin; Cardiogoxin; Eudigox; Davoxin; SMR000059217; Rougoxin; Mapluxin; Lenoxin; Lanacrist; Dynamos; Vanoxin; Neo-Lanicor; Lanoxin PG; Digoxin Pediatric; Digoxin Nativelle; SK-Digoxin; UNII-73K4184T59; Homolle's digitalin; Hemigoxine Nativelle; MFCD00003674; Digitek (TN); Lanoxicaps (TN); Lanoxin (TN); Digoxin (JP15/USP); (3beta,5beta,12beta)-3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide; 4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8700^{2,7}; [3H]digoxin"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4551	DB00390	DR00148	DR0498	780.9	C41H64O14	203	1450	1.3	55	6	14	7	"1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1"	C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O	LTMHDMANZUZIPE-PUGKRICDSA-N
DG00031	Spectinomycin	15541	"Actinospectacin; Actinospectacina; Adspec; Espectinomicina; Prospec; SCM; SPCM; Spectam; Spectinomicina; Spectinomycine; Spectinomycinum; Spectogard; Stanilo; Togamycin; Trobicin; Actinospectacina [Italian]; Spectam Scour Halt; Spectinomicina [Italian]; Spectinomycin Di HCl; Spectinomycin HCl; Spectinomycin dihydrochloride; Spectinomycin hydrochloride; Spectinomycin hydrochloride anhydrous; Spectinomycin monohydrochloride; Spectinomycin sulfate; Antibiotic 2233wp; M 141; U 18409; U 18409 E; Actinospectacin, hydrochloride; Adspec (TN); Espectinomicina [INN-Spanish]; M-141; Prospec (TN); Spectinomycin (INN); Spectinomycin Dihydrochloride, Anhydrous; Spectinomycin Dihydrochloride, Pentahydrate; SpectinomycinHCl/ Sulphate; Spectinomycin Hydrochloride (anhydrous); Spectinomycin [INN:BAN]; Spectinomycine [INN-French]; Spectinomycinum [INN-Latin]; Trobicin (TN); U-18409AE; XK 43-1; Togamycin sulfate (1:1); ACTINOSPECTACIN, ESPECTINOMICINA, CHX-3101; (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one; (2R-(2alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10abeta))-Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-4H-pyrano(2,3-b)(1,4)benzodioxin-4-one monohydrochloride; 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, [2R-(2.alpha.,4a.beta.,5a.beta.,6.beta.,7.beta.,8.beta.,9.alpha.,9a.alpha.,10a.beta.)]-, sulfate (1:1) (salt)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9215	DB00919	.	DR2379	332.35	C14H24N2O7	130	478	-3.1	23	5	9	2	"1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1"	C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O	UNFWWIHTNXNPBV-WXKVUWSESA-N
DG00032	Topotecan	60700	"Hycamptamine; Hycamptin; Hycamtamine; Topotecane; Topotecanum; Topotecan lactone; SKF 104864; SKF-S 104864; TOPOTECAN, HYCAMTIN; Topotecan (BAN); Topotecan [INN:BAN]; Topotecane [INN-French]; Topotecanum [INN-Latin]; Topotecan Monohydrochloride, (S)-Isomer; (4S)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; (S)-10-((Dimethylamino)methyl)-4-ethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione; (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE; (S)-10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]-quinoline-3,14(4H,12H)-dione; (S)-10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; 9-Dimethylaminomethyl-10-hydroxycamptothecin"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63632	DB01030	DR00044	.	421.4	C23H23N3O5	103	867	0.5	31	2	7	3	"1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N
DG00033	Levofloxacin	149096	"Aeroquin; Cravit; Elequine; Floxacin; Floxel; Iquix; LFX; LVX; Leroxacin; Lesacin; Levaquin; Levofloxacine; Levofloxacino; Levofloxacinum; Levokacin; Levox; Levoxacin; Mosardal; Nofaxin; Oftaquix; Quixin; Reskuin; Tavanic; Volequin; Cravit Ophthalmic; DR 3354; DR3355; HR 355; Cravit (TN); D-Levofloxacin; DR-3355; HR-355; Iquix (TN); L-Ofloxacin; LEVAQUIN IN DEXTROSE 5% IN PLASTIC CONTAINER; Levaquin (TN); Levofloxacin (INN); Levofloxacin tablet, suspension or intravenous; Levofloxacine [INN-French]; Levofloxacino [INN-Spanish]; Levofloxacinum [INN-Latin]; MP-376; Oftaquix (TN); Quixin (TN); R-Ofloxacin; RWJ 25213-097; RWJ-25213; Tavanic (TN); Levofloxacin [USAN:INN:JAN]; DR-3355: L-isomer of ofloxacin; Ofloxacin S-(-)-form; S-(-)-Ofloxacin; (-)-(S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid; (-)-(S)-9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyridol[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid hemihydrate; (-)-(S)-9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7Hpyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid hemihydrate; (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; (R)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid; (R)-isomer; (S)-(-)-Ofloxacin; (S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid; (S)-Ofloxacin"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63598	DB01137	DR00046	DR2456	361.4	C18H20FN3O4	73.3	634	-0.4	26	1	8	2	"1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1"	C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O	GSDSWSVVBLHKDQ-JTQLQIEISA-N
DG00034	Abiraterone	132971	Abiraterone (AR inhibitor)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:68642	DB05812	.	.	349.5	C24H31NO	33.1	636	4.6	26	1	2	1	"1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)O	GZOSMCIZMLWJML-VJLLXTKPSA-N
DG00035	Carbenicillin	20824	"CBPC; Carbenicilina; Carbenicillina; Carbenicilline; Carbenicillinum; Carboxybenzylpenicillin; Pyopen; Carbenicillina [DCIT]; Carboxybenzyl Penicillin; Carboxybenzylpenicillin acid; Alpha-Carboxybenzylpencillin; Alpha-Carboxybenzylpenicillin solution; Carbenicilina [INN-Spanish]; Carbenicillin (INN); Carbenicillin [INN:BAN]; Carbenicilline [INN-French]; Carbenicillinum [INN-Latin]; Alpha-Phenyl(carboxymethylpenicillin); N-(2-Carboxy-3,3-dimethyl-7-oxo-4-thia-azabicyclo(3.2.0)hept-6-yl)-2-phenylmalonamic acid;N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-2-phenylmalonamic acid; (2S,5R,6R)-6-[(3-hydroxy-3-oxo-2-phenylpropanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-{[carboxy(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 6-(alpha-Carboxyphenylacetamido)penicillanic acid; 6beta-(2-carboxy-2-phenylacetamido)-2,2-dimethylpenam-3alpha-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3393	DB00578	DR00995	DR2390	378.4	C17H18N2O6S	149	645	1.1	26	3	7	5	"1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9 ,10-,11+,14-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C	FPPNZSSZRUTDAP-UWFZAAFLSA-N
DG00036	Rezafungin	78318119	"CD-101; CD101; SP-3025; CHEMBL3989945; HY-108009; CS-0027142; J3.555.717B; J3.599.425D; (4R,5R)-N2-[4-(4'-Pentoxy-1,1'-biphenyl-4-yl)benzoyl]-5-[2-(trimethylaminio)ethoxy]-4-hydroxy-cyclo[L-Orn*-[(3R)-3-methyl-L-Ser-]-[(4R)-4-hydroxy-L-Pro-]-2-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-L-Gly-[(3R)-3-methyl-L-Ser-]-[(3S,4S)-3-hydroxy-4-methyl-L-Pro-]-]"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB16310	.	.	1226.4	C63H85N8O17+	366	2300	2.9	88	13	17	18	"1S/C63H84N8O17/c1-8-9-10-28-87-45-25-21-40(22-26-45)38-13-11-37(12-14-38)39-15-17-42(18-16-39)56(80)64-46-31-48(76)61(88-29-27-71(5,6)7)68-60(84)52-53(77)34(2)32-70(52)63(86)50(36(4)73)66-59(83)51(55(79)54(78)41-19-23-43(74)24-20-41)67-58(82)47-30-44(75)33-69(47)62(85)49(35(3)72)65-57(46)81/h11-26,34-36,44,46-55,61,72-73,75-79H,8-10,27-33H2,1-7H3,(H5-,64,65,66,67,68,74,80,81,82,83,84)/p+1/t34-,35+,36+,44+,46-,47-,48+,49-,50-,51-,52-,53-,54-,55-,61+/m0/s1"	CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC=C(C=C7)O)O)O)[C@@H](C)O)C)O)OCC[N+](C)(C)C)O	LNFCWEXGZIEGJW-TXSVMFMRSA-O
DG00037	Cefoxitin	441199	"Mefoxin; Mefoxitin; CEFOXITIN SODIUM; Cefoxitin sodium salt; Mefoxin (TN); Cefoxitin (USAN/INN); Cefoxitin sodium (JAN/USP); (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7S)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; (6R,7S)-3-{[(aminocarbonyl)oxy]methyl}-7-(methyloxy)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 3-[(carbamoyloxy)methyl]-7alpha-methoxy-7beta-[(2-thienylacetyl)amino]-3,4-didehydrocepham-4-carboxylate; 3-[(carbamoyloxy)methyl]-7alpha-methoxy-7beta-[(thiophen-2-yl)acetamido]-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:209807	DB01331	DR00828	DR2492	427.5	C16H17N3O7S2	202	744	0	28	3	9	8	"1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1"	CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3	WZOZEZRFJCJXNZ-ZBFHGGJFSA-N
DG00038	Erythromycin	12560	"Abboticin; Abomacetin; Acneryne; Acnesol; Aknemycin; Aknin; AustriaS; Benzamycin; Derimer; Deripil; Dotycin; Dumotrycin; ERY; ERYC; Emgel; Emuvin; Emycin; Endoeritrin; Erecin; Erisone; Eritomicina; Eritrocina; Eritromicina; Ermycin; Eros; Eryacne; Eryacnen; Erycen; Erycette; Erycin; Erycinum; Eryderm; Erydermer; Erygel; Eryhexal; Erymax; Erymed; Erysafe; Erytab; Erythro; Erythroderm; Erythrogran; Erythroguent; Erythromid; Erythromycine; Erythromycinum; Erytop; Erytrociclin; Ilocaps; Iloticina; Ilotycin; Inderm; IndermRetcin; Latotryd; Lederpax; Mephamycin; Mercina; Oftamolets; Paediathrocin; Pantoderm; Pantodrin; Pantomicina; Pharyngocin; Primacine; Propiocine; Proterytrin; Retcin; Robimycin; Romycin; Sansac; Staticin; Stiemicyn; Stiemycin; Tiloryth; Tiprocin; Torlamicina; Wemid; Akne Cordes Losung; Aknederm Ery Gel; Benzamycin Pak; ERYTHROMYCIN STEARATE; Eryc Sprinkles; Erythromycin A; Erythromycin Lactate; Erythromycin Ointment; Erythromycin base; Erythromycin intravenous; Erythromycin sodium lauryl sulfate; Inderm Gel; Oftalmolosa Cusi Eritromicina; Skid Gel E; Theramycin Z; Udima Ery Gel; E0751; Eryc 125; Erythromast 36; Ak-Mycin; Akne-Mycin; Del-Mycin; E-Base; E-Glades; E-Mycin; E-Solve 2; ERYC (base); Emu-V; Emu-Ve; Erimycin-T; Eritromicina [INN-Spanish]; Ery-B; Ery-Diolan; Ery-Sol; Ery-Tab; Ery-maxin; Eryc (TN); Eryc-125; Eryc-250; Erygel (TN); Erythra-Derm; Erythro-Statin; Erythro-Teva; Erythromycin & VRC3375; Erythromycine [INN-French]; Erythromycinum [INN-Latin]; Ilosone (TN); Ilosone (estolate); Ilotycin T.S; Kesso-Mycin; N-Methylerythromycin A; PCE Dispertab (base); Pce (TN); R-P Mycin; Sans-acne; Staticin (TN); T-Stat; Taimoxin-F; A/T/S; Akne-mycin (TN); C-Solve-2; E-Base (base); E-Mycin (base); Ery-Tab (base); Erythromycin [INN:BAN:JAN]; Ilotycin T.S.; T-stat (TN); E-mycin, Erycin, Robimysin; Erythromycin (JP15/USP/INN); Erythromycin, compd. with monododecyl sulfate, sodium salt; Sulfuric acid, monododecyl ester, sodium salt, compd. with erythromycin; Adecane-2,10-dione (non-preferred name); Erythromycin A, T-Stat, Pantomicina, HSDB 3074, Erytab, DRG-0279; Ery"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:42355	DB00199	DR00050	.	733.9	C37H67NO13	194	1180	2.7	51	5	14	7	"1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1"	CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O	ULGZDMOVFRHVEP-RWJQBGPGSA-N
DG00039	Sulfasalazine	5339	Sulfasalazine; 599-79-1; Salicylazosulfapyridine; Salazosulfapyridine; Azulfidine; Asulfidine; Salazopyridin; Sulcolon; Azopyrin; Accucol; Colo-Pleon; Salazopiridazin; Salisulf; Reupirin; Benzosulfa; Azopyrine; Salazosulfapyridin; Sulfasalazina; w-t Sasp oral; Sulfasalazinum; Sulfasalazin; Azulfidine EN; Sulfazalazine; Azulfidine EN-tabs; Salazosulfapiridina; Sas-500; Salazosulfapyridinum; Azosulfidin; SASP; Salazo-sulfapyridinum; 5-(p-(2-Pyridylsulfamyl)phenylazo)salicylic acid; SAS-500; Sulfasalizine	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9334	DB00795	DR00201	DR1513	398.4	C18H14N4O5S	150	657	-0.7	28	3	9	6	"1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)"	C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O	NCEXYHBECQHGNR-UHFFFAOYSA-N
DG00040	Thioguanine	2723601	"6-thioguanine; Lanvis; THG; Tabloid; ThioguaninGSK; Tioguanin; Tioguanina; Tioguanine; Tioguaninum; Glaxo Wellcome Brand of Thioguanine; Glaxo Wellcome Brand of Tioguanine; GlaxoSmithKline Brand of Thioguanine; GlaxoSmithKline Brand of Tioguanine; Thioguanin GSK; Thioguanine Hemihydrate; Thioguanine Monosodium Salt; Thioguanine Tabloid; Tioguanina Wellcome; Tioguanine GlaxoSmithKline Brand; Wellcome Brand of Thioguanine; BW 5071; DX4; LT00455187; Wellcome U3B; Lanvis (TN); Thioguanin-GSK; Thioguanine [USAN:BAN]; Tioguanina[INN-Spanish]; Tioguanine (INN); Tioguaninum [INN-Latin]; Purine antimetabolite: antimetabolite: inhibits nucleic acid replication; Guanine, thio-(VAN); 2 Amino 6 Purinethiol; 2-Amino 6MP; 2-Amino-1,7-dihydro-6H-purin-6-thion; 2-Amino-1,7-dihydro-6H-purin-6-thion [Czech]; 2-Amino-1,7-dihydro-6H-purine-6-thione; 2-Amino-6-MP; 2-Amino-6-mercaptopurine; 2-Amino-6-merkaptopurin; 2-Amino-6-merkaptopurin [Czech]; 2-Amino-6-purinethiol; 2-Amino-9H-purine-6-thiol; 2-Aminopurin-6-thiol; 2-Aminopurin-6-thiol [Czech]; 2-Aminopurine-6(1H)-thione; 2-Aminopurine-6-thiol; 2-Thioguanine; 2-amino-3,7-dihydropurine-6-thione; 6 Thioguanine; 6-Mercapto-2-aminopurine; 6-Mercaptoguanine; 6-TG; 6-Thioguanine; 6-Thioguanine (6-TG); 6-Thioguanine, Thioguanine; Thioguanine (Guanine analog)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9555	DB00352	DR00510	DR1597	167.19	C5H5N5S	111	225	-0.1	11	3	2	0	"1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)"	C1=NC2=C(N1)C(=S)N=C(N2)N	WYWHKKSPHMUBEB-UHFFFAOYSA-N
DG00041	Quinine	3034034	"Aflukin; Chinin; Chinine; Chininum; Conchinin; Conquinine; Quindan; Quinidex; Quinidine; Quinimax; Quinina; Quinineanhydrous; Quinora; Quniacridine; Chinin [German]; Kinder Quinina; QUININE MONO HCL; Quinine Dab; Quinine [BAN]; Quinine anhydrous; Quinine bisulfate; Quinine sulfate; Quinine sulphate; Quinoline alkaloid; LT00645788;Q0028; SB01652; Beta-Quinine; Cin-Quin; Coco-Quinine; IBS-L0034250; Kinder Quinina (TN); Legatrin (TN); Quinine (BAN); Quinine, Anhydrous; Quinine, polymers; Quinine, tannate; Biquinate (*Bisulfate heptathydrate*); Dentojel (*Bisulfate heptathydrate*); Quinamm (*2:1 Sulfate salt*), dihydrate; Quine (*2:1 Sulfate salt*, dihydrate); Quinsan (*2:1 Sulfate salt*), dihydrate; Alpha-(6-Methoxy-4-quinoyl)-5-vinyl-2-quinclidinemethanol; Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-, sulfate; (+)-Quinidine; (-)-Quinine; (1R)-(6-Methoxyquinolin-4-yl)((1S,4S,5R)-5-vinylquinuclidin-2-yl)methanol; (3A,8A,9r)-6'-methoxycinchonan-9-ol; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol; (8-alpha,9R)-6'-Methoxycinchonan-9-ol; (8.alpha.,9R)-6'-Methoxycinchonan-9-ol; (8S,9R)-6'-Methoxycinchonan-9-ol; (8S,9R)-Quinine; (9R)-6'-methoxy-8alpha-cinchonan-9-ol; (R)-(-)-Quinine, 6-methoxycinchonidine; (R)-(-)-quinine; (R)-(6-Methoxy-quinolin-4-yl)-((2S,5S)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol; (R)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methanol; (R)-[(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; (S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol; (S)-[(2R,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; 6'-Methoxycinchonan-9-ol; 6'-Methoxycinchonidine; 6'-Methoxycinchonine; 6-Methoxycinchonine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:15854	DB00468	DR00054	.	324.4	C20H24N2O2	45.6	457	2.9	24	1	4	4	"1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1"	COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O	LOUPRKONTZGTKE-WZBLMQSHSA-N
DG00042	Vismodegib	24776445	879085-55-9; GDC-0449; Erivedge; 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide; Vismodegib (GDC-0449); HhAntag691; GDC0449; GDC 0449; UNII-25X868M3DS; CHEMBL473417; CHEBI:66903; 25X868M3DS; NSC755986; AK-77261; 2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamide; C19H14Cl2N2O3S; 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide; 2-chloro-n-(4-chloro-3-(2-pyridinyl)phenyl)-4-(methylsulfonyl)benzamide; Erivedge (TN); Vismodegib (SHH inhibitor); Gdc-0449	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:66903	DB08828	DR00234	DR1698	421.3	C19H14Cl2N2O3S	84.5	625	3.8	27	1	4	4	"1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)"	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N
DG00043	Zithromax	447043	Azithromycin; Zithromax; 83905-01-5; Azithromycinum; Azithromycine; Sumamed; Zitromax; Zmax; Hemomycin; Azitrocin; Azasite; Azenil; Aritromicina; Zitrotek; Zithrax; Mixoterin; Setron; Aziwok; Zitrim; Aztrin; Zifin; Tobil; Zmas; Zeto; Azithromycinum [Latin]; Azithromycine [French]; Zithromax IV; AZITHROMYCIN DIHYDRATE; Misultina; Azitromax; Z-Pak; Tromix; Aritromicina [Spanish]; Azitromicina; CP-62993; UNII-J2KLZ20U1M; DRG-0104; CCRIS 1961; HSDB 7205; Azithromycin (anhydrous); C38H72N2O12; BRN 5387583; J2KLZ20U1M; Azythromycin; CHEBI:2955	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2955	DB00207	DR00367	DR0168	749	C38H72N2O12	180	1150	4	52	5	14	7	"1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1"	CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O	MQTOSJVFKKJCRP-BICOPXKESA-N
DG00044	Darunavir	213039	"206361-99-1; TMC114; Prezista; TMC-114; UIC-94017; Darunavirum; TMC 114; Darunavirum [INN-Latin]; UNII-YO603Y8113; AIDS073035; CHEMBL1323; (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE; CHEBI:367163; Darunavir-d9; YO603Y8113; (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate; NCGC00168773-01; (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl; Darunavirum; Darunavir [USAN]; UIC 94017; Prezista(TM); UIC-96017; Darunavir (USAN/INN); Carbamic acid, [(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester; {(1S,2R)-3-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester; [(S)-3-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-2-hydroxy-1-((R)-phenylmethyl)-propyl]-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester; N-((1S,2R)-3-(((4-Aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-benzylpropyl)((1S,2R,5R)-4,6-dioxabicyclo(330)oct-2-yloxy)carboxamide; [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate; (3-((4-aminobenzenesulfonyl)isobutylamino)-1-benzyl-2-hydroxypropyl)carbamic acid hexahydrofuro(2,3-b)furan-3-yl ester; (3R,3aS,6aR)-Hexahydrofuro(2,3-b)furan-3-yl N-((1S,2R)-1-benzyl-2-hydroxy-3-(N1-isobutylsulfanilamido)propyl)carbamate; (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-((1S,2R)-1-benzyl-2-hydroxy-3-(N(1)-isobutylsulfanilamido)propyl)carbamate; (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate; (3R,3aS,6aR)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate; (3R,3aS,6aR)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-neopentylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:367163	DB01264	DR00514	DR0420	547.7	C27H37N3O7S	149	853	2.9	38	3	9	12	"1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1"	CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N	CJBJHOAVZSMMDJ-HEXNFIEUSA-N
DG00045	Sirolimus	5284616	"53123-88-9; Rapamune; Rapamycin (Sirolimus); AY-22989; Rapammune; sirolimusum; WY-090217; RAPA; Antibiotic AY 22989; AY 22989; UNII-W36ZG6FT64; CCRIS 9024; CHEBI:9168; SILA 9268A; W36ZG6FT64; HSDB 7284; C51H79NO13; NSC 226080; DE-109; NCGC00021305-05; DSSTox_CID_3582; DSSTox_RID_77091; DSSTox_GSID_23582; Cypher; Supralimus; Wy 090217; Perceiva; RAP; RPM; Rapamycin from Streptomyces hygroscopicus; SIIA 9268A; LCP-Siro; MS-R001; Rapamune (TN); Rapamycin (TN); Sirolimus (RAPAMUNE); Rapamycin C-7, analog 4; Sirolimus (USAN/INN); Sirolimus [USAN:BAN:INN]; Sirolimus, Rapamune,Rapamycin; Heptadecahydro-9,27-dihydroxy-3-[(1R)-2-[(1S,3R,4R)-4-hydroxy; 23,27-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclohentriacontine; 23,27-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine; 23,27-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine-1,5,11,28,29; 3H-pyrido(2,1-c)(1,4)oxaazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone; Sirolimus (MTOR inhibitor)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9168	DB00877	DR00262	DR1489	914.2	C51H79NO13	195	1760	6	65	3	13	6	"1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1"	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N
DG00047	Ofloxacin	4583	"Bactocin; DEXTROFLOXACINE; Danoflox; Effexin; Exocin; Exocine; Flobacin; Flodemex; Flotavid; Flovid; Floxal; Floxil; Floxin; Floxstat; Fugacin; Inoflox; Kinflocin; Kinoxacin; Liflox; Loxinter; Marfloxacin; Medofloxine; Mergexin; Novecin; Nufafloqo; OFLX; OFX; Obide; Occidal; Ocuflox; Ofcin; Oflin; Oflocee; Oflocet; Oflocin; Oflodal; Oflodex; Oflodura; Oflox; Ofloxacina; Ofloxacine; Ofloxacino; Ofloxacinum; Ofloxin; Ofus; Onexacin; Operan; Orocin; Otonil; Oxaldin; Pharflox; Praxin; Puiritol; Qinolon; Qipro; Quinolon; Quotavil; Rilox; Sinflo; Tabrin; Taravid; Tariflox; Tarivid; Telbit; Tructum; Viotisone; Visiren; XED; Zanocin; Floxin otic; Ofloxacin Otic; Ofloxacina [DCIT]; Ofloxacine [French]; Ofloxacino [Spanish]; Ofloxacinum [Latin]; Uro Tarivid; DL 8280; HOE 280; O 8757; ORF 18489; PT 01; DL-8280; FLOXIN IN DEXTROSE 5%; FLOXIN IN DEXTROSE 5% IN PLASTIC CONTAINER; Floxin Otic (TN); HOE-280; Hoe-280; Marfloxacin (TN); O-Flox; ORF-28489; Ocuflox (TN); Ru-43280; WP-0405; Ofloxacin (JP15/USP/INN); Ofloxacin [USAN:BAN:INN:JAN]; Ofloxacin, (S)-Isomer; DL-8280, HOE-280, Exocin, Flobacin, Floxin, Floxil, Monoflocet, Ofloxacin; (+-)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid; (+/-)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperaz inyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid; (+/-)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid; (+/-)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid; (+/-)-Floxin; (-)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazin-6-carbonsaeure; 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7731	DB01165	DR00517	DR2298	361.4	C18H20FN3O4	73.3	634	-0.4	26	1	8	2	"1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)"	CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O	GSDSWSVVBLHKDQ-UHFFFAOYSA-N
DG00048	Doripenem	73303	"Doribax; S 4661; S-4661; Doripenem (USAN/INN); (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135928	DB06211	.	DR0534	420.5	C15H24N4O6S2	196	780	-3.4	27	5	10	7	"1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1"	C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O	AVAACINZEOAHHE-VFZPANTDSA-N
DG00049	Gemcitabine	60750	Gemcitabine hydrochloride; DDFC; DFdC; DFdCyd; Folfugem; GEO; Gamcitabine; GemLip; Gemcel; Gemcin; Gemcitabina; Gemcitabinum; Gemtro; Gemzar; Zefei; Gemcitabine HCl; Gemcitabine stereoisomer; LY 188011; LY188011; Gemcitabina [INN-Spanish]; Gemcitabinum [INN-Latin]; Gemzar (TN); Gemzar (hydrochloride); Inno-D07001; LY-188011; Gemcitabine (USAN/INN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:175901	DB00441	DR00063	DR0765	263.2	C9H11F2N3O4	108	426	-1.5	18	3	6	2	"1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1"	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N
DG00050	Crizotinib	11626560	Xalkori (TN); novel ALK inhibitors	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:64310	DB08865	DR00523	DR0387	450.3	C21H22Cl2FN5O	78	558	3.7	30	2	6	5	"1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1"	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N
DG00051	Cerulenin	5282054	"Helicocerin; Cerulenin, Cephalosporium caerulens; Oxiranecarboxamide, 3-(1-oxo-4,7-nonadienyl)-, (2R-(2-alpha,3-alpha(4E,7E)))-(9CI); (2R,3S)-2,3-Epoxy-4-oxo-7E,10E-dodecadienamide; (2R,3S)-3-((4E,7E)-Nona-4,7-dienoyl)-oxirane-2-carboxylic acid amide; (2R,3S)-3-((4E,7E)-nona-4,7-dienoyl)oxirane-2-carboxamide; (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide; (2R,3S)-3-nona-4,7-dienoyloxirane-2-carboxamide; (2R,3S,E,E)-2,3-Epoxy-4-oxo-7,10-dodecadienamide; (2R-(2alpha,3alpha(4E,7E)))-3-(1-Oxonona-4,7-dienyl)oxirane-2-carboxamide; (2S)(3R)-2,3-Epoxy-4-oxo-7,10-dodecadienoylamide; (2S,3R)-2,3-epoxy-4-oxy-7,10-dodecadienoylamide; (2r,3s)-3-(nona-4,7-dienoyl)oxirane-2-carboxamide; 2,3-Epoxy-4-oxo-7,10-dodecadienamide; 2,3-Epoxy-4-oxo-7,10-dodecadienoylamide; 3-(1-Oxo-4,7-nonadienyl)oxiranecarboxamide; 3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide; 3-nona-4,7-dienoyloxirane-2-carboxamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:171741	DB01034	.	.	223.27	C12H17NO3	72.7	320	0.8	16	1	3	7	"1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1"	C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N	GVEZIHKRYBHEFX-NQQPLRFYSA-N
DG00052	Luteolin	5280445	"Luteolin; luteolin; 491-70-3; Luteolol; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; Luteoline; Digitoflavone; Flacitran; Weld Lake; Cyanidenon 1470; Salifazide; Yama kariyasu; 5,7,3',4'-Tetrahydroxyflavone; UNII-KUX1ZNC9J2; CI Natural Yellow 2; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; 7-Tetrahydroxyflavone; CCRIS 3790; EINECS 207-741-0; KUX1ZNC9J2; CHEMBL151; BRN 0292084; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:15864	DB15584	.	.	286.24	C15H10O6	107	447	1.4	21	4	6	1	"1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H"	C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O	IQPNAANSBPBGFQ-UHFFFAOYSA-N
DG00053	Lorlatinib	71731823	SCHEMBL15274056	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:143117	DB12130	.	DR0980	406.4	C21H19FN6O2	110	700	1.5	30	1	7	0	"1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1"	C[C@@H]1C2=C(C=CC(=C2)F)C(=O)N(CC3=NN(C(=C3C4=CC(=C(N=C4)N)O1)C#N)C)C	IIXWYSCJSQVBQM-LLVKDONJSA-N
DG00054	Gentian violet	11057	Crystal violet; gentian violet; 548-62-9; Basic violet 3; Aniline Violet; Hexamethylpararosaniline chloride; Methylrosaniline chloride; Hexamethyl Violet; Gentiaverm; Pyoktanin; Vianin; Atmonil; Viocid; Avermin; Adergon; Axuris; Badil; Bismuth Violet; Methyl Violet 10B; Basic Violet BN; methylrosanilinium chloride; Gentioletten; Gentersal; Oxycolor; Genticid; Vermicid; Oxiuran; Oxyozyl; Calcozine Violet C; Meroxyl-Wander; Meroxylan-Wander; Brilliant Violet 5B; Hecto Violet R; Calcozine Violet 6BN; Violet CP; Crystal Violet O; Paper Blue R	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:41688	DB00406	.	.	408	C25H30ClN3	9.5	542	.	29	0	3	4	"1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1"	CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-]	ZXJXZNDDNMQXFV-UHFFFAOYSA-M
DG00055	Rifaximin	6436173	"RCIFAX; Rifaximin (bioadhesive/ gastrointestinal extended release); Rifaximin (bioadhesive/ gastrointestinal extended release), Salix Pharmaceuticals"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:75246	DB01220	DR00073	.	785.9	C43H51N3O11	198	1590	6.9	57	5	12	3	"1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1"	C[C@H]1/C=C/C=C(\\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)/C	NZCRJKRKKOLAOJ-XRCRFVBUSA-N
DG00056	Ceritinib	57379345	"Ceritinib; LDK378; 1032900-25-6; ZYKADIA; NVP-LDK378-NX; LDK-378; UNII-K418KG2GET; LDK378(Ceritinib); LDK 378; Eritinib (LDK378); 5-chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine; K418KG2GET; CHEMBL2403108; CHEBI:78432; AK174337; ceritinib; C28H36ClN5O3S; 5-Chloro-N2-[2-isopropoxy-5-Methyl-4-(4-piperidyl)phenyl]-N4-(2-isopropylsulfonylphenyl)pyriMidine-2,4-diaMine; 5-Chloro-N2-(5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl)-N4-(2-(propane-2-sulfonyl)phenyl)pyrim"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:78432	DB09063	DR00228	.	558.1	C28H36ClN5O3S	114	835	6.4	38	3	8	9	"1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)"	CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl	VERWOWGGCGHDQE-UHFFFAOYSA-N
DG00057	Paromomycin	165580	"Aminosidin; Catenulin; Humatin; Hydroxymycin sulfate; Paramomycin Sulfate; Paromomycin I; Paromomycin sulfate Rx346208; Aminosidine, sulfate; HATT & Paromomycin; Humatin (TN); Paromomycin (INN); Paromomycin (TN); Paromomycin (complex); PA1-PA2-PA3-PA4; Human .alpha.-1-antitrypsin & Paromomyin; PAROMOMYCIN I, AMMINOSIDIN, CATENULIN, CRESTOMYCIN, MONOMYCIN A, NEOMYCIN E; (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside; (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol; O-2-Amino-2-deoxy-.alpha.-D-glucopyranosyl-(1->4)-O-[O-2,6-diamino-2,6-dideoxy-.beta.-L-idopyranosyl-(1->3)-.beta.D-ribofuranosyl(1->5)]-2-deoxy-D-streptamine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7934	DB01421	.	.	615.6	C23H45N5O14	347	870	-8.7	42	13	19	9	"1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1"	C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N	UOZODPSAJZTQNH-LSWIJEOBSA-N
DG00058	Amodiaquine	2165	"Amodiachin; Amodiachinum; Amodiaquin; Amodiaquina; Amodiaquinum; Basoquin; CQA; Camochin; Camoquin; Camoquinal; Camoquine; Flavoquin; Flavoquine; Miaquin; Sunoquine; Amodiaquine hydrochloride; Amodiaquine USP24; SN 10751; AMODIAQUINE, FLAVOQUINE; Amodiaquina [INN-Spanish]; Amodiaquinum [INN-Latin]; CAM-AQ 1; CAM-AQI; Cam-AQ1; Camoquin (TN); Flavoquine (TN); SN 10,751; WR-002977; Amodiaquine (USAN/INN); Amodiaquine [USAN:INN:BAN]; Amodiaquine, ring-closed; S. N. 10751"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2674	DB00613	DR00976	DR0102	355.9	C20H22ClN3O	48.4	406	2.6	25	2	4	6	"1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)"	CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O	OVCDSSHSILBFBN-UHFFFAOYSA-N
DG00059	Pefloxacin	51081	"Abactal; Labocton; PERFLOXACIN; PFLX; Peflacine; Pefloxacine; Pefloxacino; Pefloxacinum; Pefloxacin methanesulfonate; Silver Pefloxacin; AM-725; EU-5306; Pefloxacin [INN-French]; Pefloxacino [INN-Spanish]; Pefloxacinum [INN-Latin]; Pefloxacin (USAN/INN); Pefloxacin [USAN:BAN:INN]; 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(4-methyl-1-piperazinyl)-3-quinolinecarboxylic acid; 1-Ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; 1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid; 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid; 3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:50199	DB00487	.	.	333.36	C17H20FN3O3	64.099	545	0.3	24	1	7	3	"1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)"	CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O	FHFYDNQZQSQIAI-UHFFFAOYSA-N
DG00060	Pyrimethamine/Sulfadoxine	65404	"Fansidar; Suldox; Pyrimethamine-sulfadoxine; 37338-39-9; Pyrimethamine mixture with sulfadoxine; Pyrimethamine combination with sulfadoxine; Benzenesulfonamide, 4-amino-N-(5,6-dimethoxy-4-pyrimidinyl)-, mixt. with 5-(4-chlorophenyl)-6-ethyl-2,4-pyrimidinediamine; sulphadoxine-pyrimethamine; sulfadoxine/pyrimethamine; Sulphadoxyne-pyrimethamine; sulfadoxine / pyrimethamine; Pyrimethamine / sulfadoxine; Sulphadoxine / pyrimethamine; Pyrimethamine-sulfadoxine mixt.; Sulfadoxine-pyrimethamine mixt.; Fansidar (TN)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	559	C24H27ClN8O4S	203	662	.	38	4	12	7	"1S/C12H13ClN4.C12H14N4O4S/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-6H,2H2,1H3,(H4,14,15,16,17);3-7H,13H2,1-2H3,(H,14,15,16)"	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N	LUBUTTBEBGYNJN-UHFFFAOYSA-N
DG00062	Piperacillin	43672	"PIPC; Peperacillin; Peracin; Pipercillin; Pipracil; Pipril; PIPERACILLIN SODIUM; Piperacillin Monosodium Salt; Piperacillin anhydrous; Cl-227193; Peracin (TN); Piperacillin (INN); Piperacillin (anhydrous); Pipracil, Piper; T-1220; Zobactin (TN); (2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S-(2alpha,5alpha,6beta(S*)))-6-(((((4-Ethyl-2,3-dioxopiperazin-1-yl)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; 4-ethyl-2,3-dioxopiperazine carbonyl ampicillin; 6-(D-(-)-alpha-(4-Ethyl-2,3-dioxo-1-piperazinecarboxamido)phenylacetamido)penicillanicacid; 6beta-{(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8232	DB00319	DR00857	DR2410	517.6	C23H27N5O7S	182	982	0.5	36	3	8	6	"1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1"	CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O	IVBHGBMCVLDMKU-GXNBUGAJSA-N
DG00063	Dalfopristin	6323289	"5-(2-DIETHYLAMINO-ETHANESULFONYL)-21-HYDROXY-10-ISOPROPYL-11,19-DIMETHYL-9,26-DIOXA-3,15,28-TRIAZA-TRICYCLO[23.2.1.00,255]OCTACOSA-1(27),12,17,19,25(28)-PENTAENE-2,8,14,23-TETRAONE"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4309	DB01764	.	.	690.8	C34H50N4O9S	185	1340	2.2	48	2	11	7	"1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9+,12-11+,23-18+/t24-,25-,28-,31-,32-/m1/s1"	CCN(CC)CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC3=NC(=CO3)C2=O)O)/C)C)C(C)C	SUYRLXYYZQTJHF-VMBLUXKRSA-N
DG00064	Rifabutin	135398743	"Alfacid; Ansamycin; Ansatipin; Ansatipine; Assatipin; Mycobutin; RBT; Rifabutina; Rifabutine; Rifabutinum; Grunenthal Brand of Rifabutin; Kenfarma Brand of Rifabutin; Pfizer Brand of Rifabutin; Rifabutin Pfizer Brand; Rifabutina [Spanish]; Rifabutine [French]; Rifabutinum [Latin]; Antibiotic LM 427; LM 427; LM427; DRG-0085; LM-427; Mycobutin (TN); Rifabutin [USAN:BAN:INN]; Rifabutin (JAN/USP/INN); Mycobutin, Ansamycin, LM 427, Ansatipine, Rifabutin; (9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-6,18,20-trihydroxy-1'-isobutyl-14-methoxy-7,9,15,17,19,21,25-heptamethyl-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadeca[1,11,13]trienoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin; Spiro[9,4-(epoxypentadeca[1,11,13]trienimino)-2H-furo[2',3':7,8]naphth[1,2-d]imidazole-2,4'-piperidine]-5,10,26(3H,9H)-trione, 16-(acetyloxy)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptameth; 1,4-Dihydro-1-deoxy-1',4-didehydro-5'-(2-methylpropyl)-1-oxorifamycin XIV; 4-Deoxo-3,4-(2-spiro(N-isobutyl-4-piperidyl)-2,5-dihydro-1H-imidazo)-rifamycin S; 4-N-isobutylspiropiperidylrifamycin S"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00615	.	DR1418	847	C46H62N4O11	209	2110	4.7	61	5	14	5	"1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,48,52-55H,16-19,21H2,1-11H3/b13-12+,20-15+,24-14-,47-36 /t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1"	C[C@H]1/C=C/C=C(\\C(=O)N=C2C(=C3C(=C4C2=NC5(N4)CCN(CC5)CC(C)C)C6=C(C(=C3O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)O)/C	ZWBTYMGEBZUQTK-PVLSIAFMSA-N
DG00065	Pentamidine	4735	"Lomidine; Nebupent; PENTAM; PNT; Pentacarinat; Pentamide; Pentamidin; Pentamidina; Pentamidinum; Pneumopent; PENTAMIDINE ISETHIONATE; Pentamidina [DCIT]; Pentamidine isetionate; Pentamidine mesylate; MB 800; Pentam 300; Lomidine (TN); MB-800; Nebupent (as isethionate); Pentacarinat (as isethionate); Pentam 300 (as isethionate); Pentamidine (INN); Pentamidinum [INN-Latin]; RP-2512; Nebupent (*Isethionate); Pentacarinat (*Isethionate); Pentam 300 (*Isethionate); Pentamidine Isethionate 2-Hydroxy-Ethanesulfonic Acid;Pentamidine [INN:BAN:DCF]; RP 2512 (*Isethionate); P,p'-(Pentamethylenedioxy)bis[benzamidine]; P,p'-(Pentamethylenedioxy)dibenzamidine; P,p'-(Pentamethylene-dioxy)bis-benzamidine; Benzenecarboximidamide, 4,4'-(1,5-pentanediylbis(oxy))bis-(9CI); 1,3-BIS(4-AMIDINOPHENOXY)PENTANE; 4, 4'-Diamidinodiphenoxypentane; 4,4'-(1,5-Pentanediylbis(oxy))bis-benzenecarboximidamide; 4,4'-(Pentamethylenedioxy)dibenzamide; 4,4'-(Pentamethylenedioxy)dibenzamidine; 4,4'-Diamidino-.alpha.,.omega.-diphenoxypentane; 4,4'-Diamidinodiphenoxypentane; 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide; 4-[5-(4-Carbamimidoylphenoxy)pentoxy]benzenecarboximidamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45081	DB00738	DR00085	.	340.4	C19H24N4O2	118	376	2.6	25	4	4	10	"1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)"	C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N	XDRYMKDFEDOLFX-UHFFFAOYSA-N
DG00066	Daptomycin	16134395	"Cidecin; Cubicin; Dapcin; Daptomicina; Daptomycine; Daptomycinum; Deptomycin; Daptomicina [Spanish]; Daptomycine [French]; Daptomycinum [Latin]; LY146032; Cubicin (TN); LY-146032; MK-3009; Daptomycin [USAN:INN:BAN]; Daptomycin (JAN/USAN/INN); N-Decanoyl-L-tryptophyl-L-asparaginyl-L-aspartyl-L-threonylglycyl-L-ornithyl-L-aspartyl-D-alanyl-L-aspartylglycyl-D-seryl-threo-3-methyl-L-glutamyl-3-anthraniloyl-L-alanine epsilon1-lactone; N-decanoyl-L-tryptophyl-D-asparaginyl-L-aspartyl-L-threonylglycyl-L-ornithyl-L-aspartyl-D-alanyl-L-aspartylglycyl-D-seryl-threo-3-methyl-L-glutamyl-3-anthraniloyl-L-alanine epsilon(1)-lactone; N-decanoyl-L-tryptophyl-D-asparaginyl-L-aspartyl-L-threonylglycyl-L-ornithyl-L-aspartyl-D-alanyl-L-aspartylglycyl-D-seryl-threo-3-methyl-L-glutamyl-3-anthraniloyl-L-alanine 1.13-3.4-lactone; N-decanoyl-L-tryptophyl-L-asparaginyl-N-[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-ox"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:600103	DB00080	.	DR2142	1620.7	C72H101N17O26	702	3480	-5.1	115	22	28	35	"1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36-,37-,43+,44+,45+,46+,47+,48+,49+,50-,60+,61+/m1/s1"	CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)[C@H](C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C	DOAKLVKFURWEDJ-RWDRXURGSA-N
DG00067	Ceftibuten	5282242	"CETB; Cedax; Ceftem; Ceftibutene; Ceftibuteno; Ceftibutenum; Cephem; Ceprifran; Isocef; Keimax; Antibiotic 7432S; S 7432; Sch 39720; Cedax (TN); Ceftibutene [INN-French]; Ceftibuteno [INN-Spanish]; Ceftibutenum [INN-Latin]; Cephalosporin 7432-S; Cis-Ceftibutin; Cis-ceftibuten; Sch-39720; Trans-Ceftibuten; Ceftibuten(USAN/INN); Ceftibuten [USAN:INN:BAN]; (+)-(6R,7R)-7-((Z)-2-(2-Amino-4-thiazolyl)-4-carboxycrotonamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(E)-2-(2-amino-1,3-thiazol-4-yl)-5-hydroxy-5-oxopent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)-5-hydroxy-5-oxopent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-5-hydroxy-5-oxopent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-[[(E)-2-(2-amino-1,3-thiazol-4-yl)-5-hydroxy-5-oxopent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)-5-hydroxy-5-oxopent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-[[2-(2-amino-1,3-thiazol-4-yl)-5-hydroxy-5-oxopent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7432-S; 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino}-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3510	DB01415	.	.	410.4	C15H14N4O6S2	217	755	-0.3	27	4	10	6	"1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1"	C1C=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=C\\CC(=O)O)/C3=CSC(=N3)N)C(=O)O	UNJFKXSSGBWRBZ-BJCIPQKHSA-N
DG00068	Framycetin	8378	"Neomycin; neomycin; NEOMYCIN B; Soframycin; Actiline; Mycifradin; Fradiomycin; Soframycine; Framycetinum; Framycetine; Framicetina; Neomas; Fradiomycinum; Antibiotique; Nivemycin; Actilin; Neolate; Enterfram; Myacyne; Framygen; Caswell No 595; Vonamycin powder V; Neomycin B sulfate; Neomin; Neomcin; Fradiomycin B; Neo-Rx; Neomicina [DCIT]; Framycetinum [INN-Latin]; PIMAVECORT; Neobrettin; Neo-Fradin; 119-04-0; Neomycine [INN-French]; Neomycinum [INN-Latin]; Framycetine [INN-French]; Framicetina [INN-Spanish]; USAF CB-19; Endomixin; Fraquinol; Myacine; Myciguent; NMY; Neobiotic; Neomicina; Neomycinum; Tuttomycin; VONAMYCIN; NEOMYCIN AND POLYMYXIN B SULFATES; NEOMYCIN SULFATE; Neomycin solution; Soframycin Ophthalmic; Antibiotic 10676; Antibiotic produced by Streptomyces decaris Neomycin B; Framycetin (INN); Soframycin (TN); Framycetin [INN:BAN:DCF]; Sofra-Tulle (TN); BDG-(1-4)CYY-(5-1)RIB-(3-1)IDG; BDG-(1-4)NEB-(5-1)RIB-(3-1)NED; (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside; (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol; D-Streptamine, O-2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl-(1->3)-O-beta-D-ribofuranosyl-(1->5)]-O-[2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1->4)]-2-deoxy"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7508	DB00994	.	DR2158	614.6	C23H46N6O13	353	872	-9	42	13	19	9	"1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1"	C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N	PGBHMTALBVVCIT-VCIWKGPPSA-N
DG00069	Fluorouracil	3385	"5-Fluorouracil; 51-21-8; fluorouracil; 5-FU; Fluoroplex; Adrucil; Efudex; Carac; Fluracil; Fluoroblastin; 5-fluoropyrimidine-2,4(1H,3H)-dione; Kecimeton; Timazin; Carzonal; Efudix; Arumel; Fluril; Queroplex; Fluracilum; Ulup; 5-Fluoracil; Phthoruracil; Fluro Uracil; 5-Fluoro-2,4(1H,3H)-pyrimidinedione; Ftoruracil; Fluorouracilum; Efurix; Fluri; 5 Fluorouracil; Effluderm (free base); 5-fluoro-1H-pyrimidine-2,4-dione; Fluorouracilo; Fluroblastin; Phtoruracil; 2,4-Dihydroxy-5-fluoropyrimidine; 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-; Adrucil; Effluderm; Fluorouracile; Fluoruracil; Fluracedyl; Flurodex; Neofluor; Onkofluor; Ribofluor; Tetratogen; URF; Allergan Brand of Fluorouracil; Biosyn Brand of Fluorouracil; CSP Brand of Fluorouracil; Cinco FU; Dakota Brand of Fluorouracil; Dermatech Brand of Fluorouracil; Dermik Brandof Fluorouracil; Ferrer Brand of Fluorouracil; Fluoro Uracile ICN; Fluorouracil GRY; Fluorouracil Mononitrate; Fluorouracil Monopotassium Salt; Fluorouracil Monosodium Salt; Fluorouracil Potassium Salt; Fluorouracil Teva Brand; Fluorouracile Dakota; Fluorouracile [DCIT]; Fluorouracilo Ferrer Far; Gry Brand of Fluorouracil; Haemato Brand of Fluorouracil; Haemato fu; Hexal Brand of Fluorouracil; ICN Brand of Fluorouracil; Inhibits thymilidate synthetase; Medac Brand of Fluorouracil; Neocorp Brand of Fluorouracil; Onkoworks Brand of Fluorouracil; Ribosepharm Brand of Fluorouracil; Riemser Brand of Fluorouracil; Roche Brand of Fluorouracil; Teva Brand of Fluorouracil; F 6627; F0151; IN1335; U 8953; Adrucil (TN); Carac (TN); Dakota, Fluorouracile; Efudex (TN); Fluoro-Uracile ICN; Fluoro-uracile; Fluoro-uracilo; Fluoroplex (TN); Fluorouracil-GRY; Fluorouracilo [INN-Spanish]; Fluorouracilum [INN-Latin]; Haemato-fu; Ro 2-9757; U-8953; Ro-2-9757; Fluorouracil (JP15/USP/INN); Fluorouracil [USAN:INN:BAN:JAN]; 1-fluoro-1h-pyrimidine-2,4-dione; 2,4-Dioxo-5-fluoropryimidine; 2,4-Dioxo-5-fluoropyrimidine; 5 FU Lederle; 5 FU medac; 5 Fluorouracil biosyn; 5 HU Hexal; 5-FU (TN); 5-FU Lederle; 5-FU medac; 5-Faracil; 5-Fluor-2,4(1H,3H)-pyrimidindion; 5-Fluor-2,4(1H,3H)-pyrimidindion [Czech]; 5-Fluor-2,4-dihydroxypyrimidin; 5-Fluor-2,4-dihydroxypyrimidin [Czech]; 5-Fluor-2,4-pyrimidindiol; 5-Fluor-2,4-pyrimidindiol [Czech]; 5-Fluoracil [German]; 5-Fluoracyl; 5-Fluoro-2,4-pyrimidinedione; 5-Fluoropyrimidin-2,4-diol; 5-Fluoropyrimidine-2,4-dione; 5-Fluorouracil-biosyn; 5-Fluoruracil; 5-Fluoruracil [German]; 5-Ftouracyl; 5-HU Hexal; 5-fluoro uracil; 5FU"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:46345	DB00544	DR00153	DR0020	130.08	C4H3FN2O2	58.2	199	-0.9	9	2	3	0	"1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)"	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N
DG00071	Olmutinib	54758501	.	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB13164	.	.	486.6	C26H26N6O2S	111	712	4.7	35	2	8	7	"1S/C26H26N6O2S/c1-3-23(33)27-19-5-4-6-21(17-19)34-25-24-22(11-16-35-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)"	CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)SC=C4	FDMQDKQUTRLUBU-UHFFFAOYSA-N
DG00072	Dabrafenib	44462760	"1195765-45-7; Dabrafenib (GSK2118436); Tafinlar; GSK2118436A; UNII-QGP4HA4G1B; GSK 2118436; QGP4HA4G1B; N-(3-(5-(2-aminopyrimidin-4-yl)-2-tert-butylthiazol-4-yl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide; CHEBI:75045; N-[3-[5-(2-Amino-4-pyrimidinyl)-2-(tert-butyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide; N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide; GSK-2118436A; Dabrafenib [USAN:INN]; GSK2118436"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:75045	DB08912	DR00164	.	519.6	C23H20F3N5O2S2	148	817	4.8	35	2	11	6	"1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)"	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N
DG00073	Cefmetazole	42008	"CMZ; Cefmetazolo; Cefmetazolum; Cefmetazole Monosodium Salt; CS 1170; SKF 83088; U 72791; CS-1170; Cefmetazole [USAN:INN]; Cefmetazolo [INN-Spanish]; Cefmetazolum [INN-Latin]; U-72791A; Cefmetazole (USP/INN); (6R,7S)-7-(2-((Cyanomethyl)thio)acetamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7S)-7-(2-((Cyanomethyl)thio)acetamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thiomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, sodium salt; (6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7S)-7-({[(cyanomethyl)thio]acetyl}amino)-7-(methyloxy)-3-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 6beta-{[(cyanomethyl)sulfanyl]acetamido}-6alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3489	DB00274	DR00539	.	471.5	C15H17N7O5S3	239	818	-0.6	30	2	12	9	"1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1"	CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O	SNBUBQHDYVFSQF-HIFRSBDPSA-N
DG00074	Afatinib	10184653	"Afatinib; Tomtovok; Tovok; BIBW-2992; Tovok (TN); Tovok, BIBW2992; (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide; EGFR inhibitor 2nd gens"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:61390	DB08916	DR00354	.	485.9	C24H25ClFN5O3	88.6	702	3.6	34	2	8	8	"1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1"	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N
DG00075	Didanosine	135398739	"Didanosine; 69655-05-6; DIDEOXYINOSINE; Videx; Videx EC; Inosine, 2',3'-dideoxy-; ddIno; Didanosina; Didanosinum; DDI; BMY-40900; UNII-K3GDH6OH08; K3GDH6OH08; Didanosinum [INN-Latin]; Didanosina [INN-Spanish]; CHEBI:490877; 9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-oxopurine; NSC 612049; 9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one; 9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE; NCGC00159514-02; NCGC00090691-03; DRG-0016; BMY 40900; DSSTox_CID_2927"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:490877	DB00900	DR01175	.	236.23	C10H12N4O3	88.7	348	-1.2	17	2	5	2	"1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1"	C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CNC3=O	BXZVVICBKDXVGW-NKWVEPMBSA-N
DG00076	Fidaxomicin	10034073	Dificid (TN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB08874	DR00545	.	1058	C52H74Cl2O18	267	1970	6.4	72	7	18	15	"1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34+,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1"	CC[C@H]1/C=C(/[C@H](C/C=C/C=C(/C(=O)O[C@@H](C/C=C(/C=C(/[C@@H]1O[C@H]2[C@H]([C@H]([C@@H](C(O2)(C)C)OC(=O)C(C)C)O)O)\\C)\\C)[C@@H](C)O)\\CO[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)O)Cl)CC)O)OC)O)\\C	ZVGNESXIJDCBKN-UUEYKCAUSA-N
DG00077	Lumefantrine	6437380	"Benflumetol; Coartem; Dl-Benflumelol; Lumefantrine (INN); Lumefantrine [INN:BAN]; (+-)-2,7-Dichloro-9-((Z)-p-chlorobenzylidene)-alpha((dibutylamino)methyl)fluorene-4-methanol; (+-)-2,7-Dichloro-9-((Z)-p-chlorobenzylidene)-alpha-((dibutylamino)methyl)fluorene-4-methanol; 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl]ethanol; 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol; 2-Dibutylamino-1-[2,7-dichloro-9-(4-chloro-benzylidene)-9H-fluoren-4-yl]-ethanol; 2-Dibutylamino-1-{2,7-dichloro-9-[1-(4-chloro-phenyl)-meth-(Z)-ylidene]-9H-fluoren-4-yl}-ethanol"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:156095	DB06708	.	DR0992	528.9	C30H32Cl3NO	23.5	671	8.7	35	1	2	10	"1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-"	CCCCN(CCCC)CC(C1=CC(=CC\\2=C1C3=C(/C2=C/C4=CC=C(C=C4)Cl)C=C(C=C3)Cl)Cl)O	DYLGFOYVTXJFJP-MYYYXRDXSA-N
DG00078	Cefixime	5362065	"CFIX; Cefixima; Cefiximum; Denvar; Necopen; Tricef; CL-284635; FK-027; FR-17027; Ofex (TN); Suprax (TN); Cefixime (JP15/USP/INN); (6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(carboxymethyl)oxy]imino}acetyl]amino}-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6r,7r)-7-[-2-(2-amino-thiazol-4-yl)-2-carboxymethoxyimino-acetylamino]-8-oxo-3-vinyl-5-thia-1-aza-b; 7beta-{(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido}-3-ethenyl-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:472657	DB00671	DR00546	.	453.5	C16H15N5O7S2	238	861	-0.7	30	4	12	8	"1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1"	C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\\OCC(=O)O)/C3=CSC(=N3)N)SC1)C(=O)O	OKBVVJOGVLARMR-QSWIMTSFSA-N
DG00079	Micafungin	477468	Mycamine; FK463; FK-463; Mycamine (TN); Mycamine(TM)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:600520	DB01141	.	DR1083	1270.3	C56H71N9O23S	519	2580	-1.6	89	16	24	18	"1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1"	CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC(=C(C=C7)O)OS(=O)(=O)O)O)O)[C@@H](CC(=O)N)O)C)O)O)O	PIEUQSKUWLMALL-YABMTYFHSA-N
DG00080	Meticillin	6087	"Dimocillin; MII; Metacillin; Methicillin; Methicillinum; Methycillin; Meticilina; Meticillina; Meticilline; Meticillinum; Staphcillin; Methicillin [BAN]; Meticillin [INN]; Meticillina [DCIT]; BRL 1241; Methicillin Monohydrate, Monosodium Salt; Meticilina [INN-Spanish]; Meticilline [INN-French]; Meticillinum [INN-Latin]; Penicillin, Dimethoxyphenyl; (2,6-Dimethoxyphenyl)penicillin; (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-{[(2,6-dimethoxyphenyl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 6-(2,3-Dimethoxybenzamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; 6-(2,6-Dimethoxybenzamido)penicillanic acid; 6beta-(2,6-dimethoxybenzamido)-2,2-dimethylpenam-3alpha-carboxylic acid; 6beta-(2,6-dimethoxybenzamido)penicillanic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6827	DB01603	.	.	380.4	C17H20N2O6S	131	600	1.2	26	2	7	5	"1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)O)C	RJQXTJLFIWVMTO-TYNCELHUSA-N
DG00081	Bleomycin	5360373	BLM; Blenoxane; Bleo; Bleocin; Bleogin; Bleomicin; Bleomicina; Bleomycine; Bleomycins; Bleomycinum; Bleomycin sulfate; Bleomycin a2; Pingyangmyvin A2; Zhengguangmycin A2; Zhengguangmycin A2 [Chinese]; Blenoxane (TN); Bleomicina [INN-Spanish]; Bleomycin A(2); Bleomycin A2 & Bleomycin B2; Bleomycin B(2); Bleomycine [INN-French]; Bleomycinum [INN-Latin]; NDC 0015-3010; N(1)-[3-(dimethylsulfonio)propyl]bleomycinamide; N1-(3-(Dimethylsulfonio)propyl)bleomycinamide	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00290	DR00409	DR0217	1415.6	C55H84N17O21S3+	685	2580	-7.5	96	20	31	36	"1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29 ,30 ,34-,35-,36-,37 ,38 ,39 ,40 ,41-,42 ,43 ,53 ,54 /m0/s1"	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O
DG00082	Tesevatinib	10458325	"Tesevatinib; XL647; XL-647; 781613-23-8; EXEL-7647; UNII-F6XM2TN5A1; KD-019; XL 647; F6XM2TN5A1; 651031-01-5; 7-[[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-N-(3,4-dichloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine; Tesevatinib [USAN:INN]; EXEL 7647; 874286-84-7; KD 019; 1000599-06-3; SCHEMBL721994; SCHEMBL721993; SCHEMBL721992; C24H25Cl2FN4O2; GTPL7944; CHEMBL3544983; EX-A172; QCR-153; MolPort-044-724-458; BCP23438; ZINC38912363; 2809AH; AKOS027255007"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB11973	.	.	491.4	C24H25Cl2FN4O2	59.5	652	5.8	33	1	7	6	"1S/C24H25Cl2FN4O2/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30)/t13 ,14-,15+"	CN1C[C@H]2CC(C[C@H]2C1)COC3=C(C=C4C(=C3)N=CN=C4NC5=C(C(=C(C=C5)Cl)Cl)F)OC	HVXKQKFEHMGHSL-GOOCMWNKSA-N
DG00083	Cycloheximide	6197	Naramycin A; NSC 185; FT 3422-2; NM-MCD 80	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:27641	.	DR01367	.	281.35	C15H23NO4	83.5	404	0.5	20	2	4	3	"1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1"	C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C	YPHMISFOHDHNIV-FSZOTQKASA-N
DG00084	Posaconazole	468595	"Noxafil; Spriafil; Posaconazole SP; Posaconazole in combination with MGCD290; SCH56592; Sch 56592; X2N; Noxafil (TN); Noxafil, Posaconazole; SCH-56592; Posaconazole (USAN/INN); Posaconazole [USAN:INN:BAN]; 1-((1S,2S)-1-Ethyl-2-hydroxypropyl)-4-{4-[4-(4-{[(5S,3R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazolylmethyl)oxolan-3-yl]methoxy}phenyl)piperazinyl]phenyl}-1,2,4-triazolin-5-one; 4-(p-(4-(p-(((3R,5R)-5-(2,4-Difluorophenyl)tetrahydro-5-(1H-1,2,4-triazol-1-ylmethyl)-3-furyl)methoxy)phenyl)-1-piperazinyl)phenyl)-1-((1S,2S)-1-ethyl-2-hydroxypropyl)-delta(sup 2)-1,2,4-triazolin-5-one; 4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one; 4-[4-[4-[4-[[(5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:64355	DB01263	DR00111	DR1316	700.8	C37H42F2N8O4	112	1170	4.6	51	1	11	12	"1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1"	CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F	RAGOYPUPXAKGKH-XAKZXMRKSA-N
DG00085	Ceftriaxone	5479530	"Biotrakson; CTRX; Cefatriaxone; Ceftriaxon; Ceftriaxona; Ceftriaxonum; Ceftriazone; Longacef; Longaceph; Rocefin; Rocephin; Rocephine; CEFTRIAXONE SODIUM; Ceftriaxone intravenous; Ro 139904; Ceftriaxona [INN-Spanish]; Ceftriaxone (INN); Ceftriaxone (TN); Ceftriaxone [USAN:JAN]; Ceftriaxone, Disodium Salt; Ceftriaxonum [INN-Latin]; DRG-0071; Ro13-9904; Rocephin (TN); Ceftriaxone, Disodium Salt, Hemiheptahydrate; Ro-13-9904; (6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-8-oxo-3-(((1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-as-triazin-3-yl)thio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7(sup 2)-(Z)-(O-methyloxime), sesquaterhydrate; (6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(methyloxy)imino]acetyl}amino)-3-{[(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:29007	DB01212	DR00553	DR2655	554.6	C18H18N8O7S3	288	1110	-1.3	36	4	13	8	"1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1"	CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\\OC)/C4=CSC(=N4)N)SC2)C(=O)O	VAAUVRVFOQPIGI-SPQHTLEESA-N
DG00086	Tobramycin	36294	"Aktob; Brulamycin; Distobram; Gotabiotic; NEBRAMYCIN; Nebcin; Nebicin; Obracin; Obramycin; Sybryx; TOY; Tenebrimycin;Tenemycin; Tobacin; Tobi; Tobracin; Tobradex; Tobradistin; Tobralex; Tobramaxin; Tobramicin; Tobramicina; Tobramitsetin; Tobramycetin; Tobramycine; Tobramycinum; Tobrased; Tobrasone; Tobrex; Deoxykanamycin B; Nebramycin VI; TOBRAMYCIN SULFATE; Tobramycin for Inhalation; Tobramycin solution for inhalation; A 12253A; Lilly 47663; NF 6; Nebramycin 6; Nebramycin factir 6; Nebramycin factor 6; Nebcin (Sulfate); SPRC-AB01; TobraDex (TN); Tobracin (TN); Tobramicina [INN-Spanish]; Tobramycin, Free Base; Tobramycine [INN-French]; Tobramycinum [INN-Latin]; Tobrex (TN); Tobramycin (JP15/USP); Tobramycin[USAN:BAN:INN:JAN]; TOA-(1-6)2TB-(4-1)TOC; TOA-(1-6)TOB-(4-1)TOC; 1-Epitobramycin; 3'-Deoxykanamycin B"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28864	DB00684	.	DR1606	467.5	C18H37N5O9	268	609	-6.2	32	10	14	6	"1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1"	C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N	NLVFBUXFDBBNBW-PBSUHMDJSA-N
DG00087	Progesterone	5994	"Progesterone; 57-83-0; Agolutin; Pregn-4-ene-3,20-dione; Luteohormone; Crinone; 4-Pregnene-3,20-dione; Utrogestan; Syngesterone; Progestin; Luteol; Corpus luteum hormone; Progesterol; Progesteronum; Pregnenedione; Glanducorpin; Prometrium; Corlutin; Cyclogest; Progestron; Gestormone; Progestone; Gestone; Progestasert; Progestronol; Methylpregnone; Hormoflaveine; Syngestrets; Proluton; Progekan; Nalutron; Lutoform; Gynlutin; Gesterol; Fologenon; Corporin; Corlutina; Syntolutan; Prolidon; Membrettes; Lutocyclin; Luteodyn; Lucorteum; Corluvite; LPCN-1107; Progesterone (oral, preterm labor); Progesterone (oral, preterm labor), Lipocine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17026	DB00396	DR00281	DR1346	314.5	C21H30O2	34.1	589	3.9	23	0	2	1	"1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1"	CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C	RJKFOVLPORLFTN-LEKSSAKUSA-N
DG00088	Irinotecan	60838	"Biotecan; Camptosar; Irinotecanum; IRINOTECAN HYDROCHLORIDE Trihydrate; Irinotecan Hcl; Irinotecan hydrochloride; CP0; Biotecan (TN); Campto (TN); Camptosar (TN); Irinotecan (INN); Irinotecan [INN:BAN]; Irinotecanum [INN-Latin]; IRINOTECAN, CPT-11; Camptosar, Campto, CPT-11, Irinotecan; (+)-Irinotecan; (4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE; (4S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-4,12-dihydro-1H-pyrano[3,4-f]quinolino[2,3-a]indolizin-9-yl 4-piperidylpiperidinecarboxylate; Irinotecan (TOPO1 inhibitor); Onivyde"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:80630	DB00762	DR00112	.	586.7	C33H38N4O6	113	1200	3	43	1	8	5	"1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1"	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N
DG00089	Efavirenz	64139	"EFV; EFZ; Eravirenz; Stocrin; Sustiva; DMP 266; L 743726; DMP-266; L-741211; L-743725; L-743726; Stocrin (TN); Strocin (TM); Sustiva (TM); Sustiva (TN); Efavirenz (JAN/INN); L-743,726; Zoxazin-2-one; Efavirenz, (S)-isomer; Met-SDF-1.beta. & Efavirenz; Met-Stromal Cell-derived Factor-1.beta. (Human) & Efavirenz; (-)-Efavirenz; (4S)-6-Chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one; (4S)-6-Chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one; (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one; (4S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one; (S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-ben; (S)-6-Chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one; (S)-6-Chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one; 2H-3,1-Benzoxazin-2-one, 6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-, (4S)-(9; 6-chloro-4-(2-cyclopropyl-1-ethynyl)-4-trifluoromethyl-(4S)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:119486	DB00625	DR00412	DR0560	315.67	C14H9ClF3NO2	38.3	519	4	21	1	5	1	"1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1"	C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F	XPOQHMRABVBWPR-ZDUSSCGKSA-N
DG00090	Hydroxycamptothecin	97226	"10-Hydroxycamptothecin; 19685-09-7; (S)-10-Hydroxycamptothecin; Hydroxycamptothecin; 10-hydroxycamptothecine; 10-Hydroxy camptothecin; Hydroxycamptothecine; Camptothecin, hydroxy-; 10-Hydroxy-Camptothecin; (S)-4-Ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; Camptothecin, 10-hydroxy-; Camptothecine, 10-hydroxy-; UNII-9Z01632KRV; NSC 107124; HCPT; (4S)-4-Ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; (S)-10-Hydroxycamptothecin hydrate; NSC107124"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:81395	DB12385	DR01489	.	364.4	C20H16N2O5	100	774	0.6	27	2	6	1	"1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)O)O	HAWSQZCWOQZXHI-FQEVSTJZSA-N
DG00091	Atazanavir	148192	"198904-31-3; Latazanavir; Zrivada; Reyataz; BMS-232632; BMS 232632; Atazanavir [INN:BAN]; CGP 73547; Atazanavir Base; UNII-QZU4H47A3S; CGP-73547; HSDB 7339; Reyataz (TN); ATV; QZU4H47A3S; CHEMBL1163; CHEBI:37924; (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER; NCGC00182552-01; AK174307; DSSTox_CID_28617; DSSTox_RID_82887; DSSTox_GSID_48691; DR7; atazanavirum; ATZ; Atazanavirum; Atazanavir (INN); Reyataz, BMS-232632, Atazanavir; Reyataz(TM) (*1:1 sulfate*); Dimethyl (3S,8S,9S,12S)-9-benzyl-3,12-di-tert-butyl-8-hydroxy-4,11-dioxo-6-[4-(2-pyridyl)benzyl]-2,5,6,10,13-pentaazatetradecanedioate; METHYL [(1S,4S,5S,10S)-4-BENZYL-1,10-DI-TERT-BUTYL-5-HYDROXY-2,9,12-TRIOXO-7-(4-PYRIDIN-2-YLBENZYL)-13-OXA-3,7,8,11-TETRAAZATETRADEC-1-YL]CARBAMATE; Methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate; (2S)-N-(3-{[(2S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoylamino][(4-(2-pyridyl)phenyl)methyl]amino}(1S,2S)-2-hydroxy-1-benzylpropyl)-2-(methoxycarbonylamino)-3,3-dimethylbutanamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:37924	DB01072	DR00413	DR0150	704.9	C38H52N6O7	171	1110	5.6	51	5	9	18	"1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1"	CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC	AXRYRYVKAWYZBR-GASGPIRDSA-N
DG00092	Nalidixic acid	4421	"Betaxina; Cybis; Dixiben; Dixinal; Eucistin; Innoxalon; Jicsron; Kusnarin; Nalidicron; Nalidixan; Nalidixane; Nalidixate; Nalidixic; Nalidixin; Nalitucsan; Nalix; Nalurin; Narigix; Naxuril; NegGram; Negram; Nevigramon; Nicelate; Nogram; Poleon; Sicmylon; Specifen; Specifin; Unaserus; Uralgin; Uriben; Uriclar; Urisal; Urodixin; Uroman; Uroneg; Uronidix; Uropan; Wintomylon; Wintron; Acide nalidixico; Acide nalidixico [Italian]; Acide nalidixique; Acide nalidixique [French]; Acido nalidissico; Acido nalidissico [DCIT]; Acido nalidixico; Acidum nalidixicum; NALIDIXATE SODIUM; Naladixic acid; Naldixic acid; Nalidic acid; Nalidixinic acid; Nalidixic acid USP27; WIN 183203; Acid, Nalidixic; Acide nalidixique [INN-French]; Acido nalidixico [INN-Spanish]; Acidum nalidixicum [INN-Latin]; N-1200; NegGram (TN); Neggram (TN); Sodium Nalidixic Acid, Anhydrous; Sodium Nalidixic Acid, Monohydrate; Sodium,Nalidixate; WIN 18,320; WIN-18320; Wil 18,320; Wintomylon (TN); ZERO/002632; WIN-18320 (TN); Nalidixic acid (JP15/USP/INN); Nalidixic acid [USAN:INN:BAN:JAN]; Acide 1-etil-7-metil-1,8-naftiridin-4-one-3-carbossilico; Acide 1-etil-7-metil-1,8-naftiridin-4-one-3-carbossilico [Italian]; 1,4-Dihydro-1-ethyl-7-methyl-1,8-naphthyridin-4-one-3-carboxylic acid; 1,4-Dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid; 1-Aethyl-7-methyl-1,8-naphthyridin-4-on-3-karbonsaeure; 1-Aethyl-7-methyl-1,8-naphthyridin-4-on-3-karbonsaeure [German]; 1-Ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxilic acid; 1-Ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid; 1-Ethyl-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one-3-carboxylic acid; 1-Ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; 1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid; 1-ethyl-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one-3-ca rboxylic acid; 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid; 3-Carboxy-1-ethyl-7-methyl-1,8-naphthidin-4-one; 3-Carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:100147	DB00779	.	DR2296	232.23	C12H12N2O3	70.5	378	1.4	17	1	5	2	"1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)"	CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O	MHWLWQUZZRMNGJ-UHFFFAOYSA-N
DG00093	Arbekacin	68682	Habekacin (TN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:37922	DB06696	.	DR0130	552.6	C22H44N6O10	297	757	-6.8	38	11	15	10	"1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1"	C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)NC(=O)[C@H](CCN)O)N)N	MKKYBZZTJQGVCD-XTCKQBCOSA-N
DG00094	Netilmicin	441306	"NTL; Netilmicina; Netilmicine; Netilmicinum; Netilyn; Netira; Nettacin; Vectacin; NETILMICIN SULFATE; Sch 20569; Netilmicin (INN); Netilmicin [INN:BAN]; Netilmicina [INN-Spanish]; Netilmicine [INN-French]; Netilmicinum [INN-Latin]; Netira (TN); Nettacin (TN); Sch-20569; O-(2,6-Diamino-2,3,4,6-tetradesoxy-alpha-glycero-4-hexenopyranosyl-(1-4)-O-(3-desoxy-4-C-methyl-3-methylamino-beta-L-arabinopyranosyl-(1-6)-2-desoxy-N1-ethyl-D-streptamin; (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; (2R,3S,4S,5S)-2-[(1S,2R,3S,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; 1-N-Aethylsisomicin; 1-N-Ethylsisomicin; 2-[4-amino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; 4-amino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-6-(ethylamino)-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)pentopyranoside"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00955	.	DR1139	475.6	C21H41N5O7	200	673	-4.2	33	8	12	8	"1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1"	CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N	CIDUJQMULVCIBT-MQDUPKMGSA-N
DG00095	Tamoxifen	2733526	"Tamoxifen; 10540-29-1; trans-Tamoxifen; Crisafeno; Soltamox; Tamoxifene; Diemon; Tamoxifenum; Tamoxifeno; Tamizam; Istubol; Tamoxen; Citofen; Oncomox; Valodex; Retaxim; Tamoxifene [INN-French]; Tamoxifenum [INN-Latin]; Tamoxifeno [INN-Spanish]; Tamoxifen (Z); Tamoxifen and its salts; Tamoxifen [INN:BAN]; ICI-46474; ICI 47699; TRANS FORM OF TAMOXIFEN; CCRIS 3275; UNII-094ZI81Y45; HSDB 6782; CHEMBL83; EINECS 234-118-0; 1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene; Citofen; Nourytam; Novaldex; Tamone; Tamoxifeno;Tamoxifenum; Tomaxithen; Gen-Tamoxifen; Istubal (TN); Nolvadex (TN); Nolvadex-D; Novo-Tamoxifen; Pms-Tamoxifen; Tamoplex (TN); Tamoxifen (INN); Tamoxifen (TN); Trans-Tamoxifen; Valodex (TN); TAMOXIFEN (TAMOXIFEN CITRATE (54965-24-1)); Trans-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine; (Z)-1-(p-Dimethylaminoethoxyphenyl)-1,2-diphenyl-1-butene; (Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine; (Z)-2-(4-(1,2-diphenylbut-1-enyl)phenoxy)-N,N-dimethylethanamine; (Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine (IUPAC); (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE; (Z)-2-[p-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine; 1-p-beta-Dimethylamino-ethoxyphenyl-trans-1,2-diphenylbut-1-ene; 1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene; 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine; 2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine; Tamoxifen (Hormonal therapy); [3H]tamoxifen"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:41774	DB00675	DR00193	.	371.5	C26H29NO	12.5	463	7.1	28	0	2	8	"1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-"	CC/C(=C(\\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N
DG00096	Quizartinib	24889392	Quizartinib	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:90217	DB12874	.	.	560.7	C29H32N6O4S	134	849	5.6	40	2	8	8	"1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)"	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N
DG00098	Halofantrine	37393	"Halfan; Halofantrino; HALOFANTRINE HYDROCHLORIDE; Halofantrine HCl; Halofantrine Hydrochloride [USAN]; Halofantrine [USAN]; Halofantrino [Spanish]; WR 171669; Dl-WR 171669; Halfan (TN); Halofantrine hydrochloride (USAN); WR 171,699; WR-171669; WR-171699; SK&F-102866; WR-171,669; (+-)-Halofantrine hydrochloride; (1)-Halofantrine; 1,3-Dichloro-.alpha.-[2-(dibutylamino)ethyl]-6-(trifluoromethyl)-9-phenanthrene-methanol; 1,3-Dichloro-.alpha.-[2-(dibutylamino)ethyl]-6-(trifluoromethyl)-9-phenathrenemethanol; 1,3-Dichloro-6-trifluoromethyl-9-(3-(dibutylamino)-1-hydroxypropyl)phenanthrene HCl; 1,3-Dichloro-alpha-(2-(dibutylamino)ethyl)-6-(trifluoromethyl)-9-phenanthrenemethanol hydrochloride; 1,3-Dichloro-alpha-(2-(dibutylamino)ethyl)-6-(trifluoromethyl)phenanthren-1-methanol hydrochloride; 1-(1,3-Dichloro-6-trifluoromethyl-9-phenanthryl)-3-(di-n-butylamino)propanol hydrochloride; 1-(1,3-dichloro-6-trifluoromethyl-9-phenanthryl)-3-di(n-butyl)aminopropanol HCl; 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl)propan-1-ol hydrochloride; 3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol; 3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol hydrochloride; 9-(3-(dibutylamino)-1-hydroxypropyl)-1,3-dichloro-6-(trifluoromethyl)phenanthrene hydrochloride; 9-Phenanthrenemethanol, 1,3-dichloro-.alpha.-[2-(dibutylamino)ethyl]-6-(trifluoromethyl)-(1); 9-Phenanthrenemethanol, 1,3-dichloro-alpha-(2-(dibutylamino)ethyl)-6-(trifluoromethyl)-, hydrochloride; 9-Phenanthrenemethanol, 1,3-dichloro-alpha-(2-(dibutylamino)ethyl)-6-(trifluoromethyl)-,hydrochloride"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94392	DB01218	DR00770	DR0799	500.4	C26H30Cl2F3NO	23.5	584	8.6	33	1	5	10	"1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3"	CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O	FOHHNHSLJDZUGQ-UHFFFAOYSA-N
DG00099	Solamargine	73611	Curaderm (TN)	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:9185	DB12700	.	.	868.1	C45H73NO15	239	1610	1.1	61	9	16	7	"1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1"	C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)NC1	MBWUSSKCCUMJHO-ZGXDEBHDSA-N
DG00100	Sulphadoxine	17134	"2447-57-6; Sulforthomidine; Fanasil; Sulphormethoxine; 4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide; Sulfadoxinum; Sulfadoxina; Sulfadoxin; Fanzil; Solfadossina; Ro 4-4393; Solfadossina [DCIT]; Sulfadoxinum [INN-Latin]; Sulfadoxina [INN-Spanish]; 4-Sulfanilamido-5,6-dimethoxypyrimidine; 4-Amino-N-(5,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide; Benzenesulfonamide, 4-amino-N-(5,6-dimethoxy-4-pyrimidinyl)-; WR 4873; N'-(5,6-Dimethoxy-4-pyrimidyl)sulfanilamide; UNII-88463U4SM5; Orthosulfin; Sulformethoxine; Sulformetoxine; Sulphormetoxin; Sulphorthodimethoxine; WR 4073; Ro-4-4393; Sanasil: Sulfadoxine: Sulformetoxin; Sulfadoxine (JAN/USP/INN); Sulfadoxine [USAN:INN:BAN:JAN]; N1-(5,6-Dimethoxy-4-pyrimidinyl)sulfanilamide; N(sup 1)-(5,6-Dimethoxy-4-pyrimidinyl)sulfanilamide; 4-amino-N-[5,6-bis(methyloxy)pyrimidin-4-yl]benzenesulfonamide; 6-(4-Aminobenzenesulfonamido)-4,5-dimethoxypyrimidine; RS-1653"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9329	DB01299	.	.	310.33	C12H14N4O4S	125	420	0.7	21	2	8	5	"1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)"	COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N	PJSFRIWCGOHTNF-UHFFFAOYSA-N
DG00101	Erlotinib	176870	"Erlotinin; Tarceva; Erlotinib Base; OSI 744; R 1415; CP 358,774; CP-358774; Erlotinib(Tarceva); Tarceva (TN); CP-358,774; Erlotinib, OS-774; N-(3-ethynylphenyl)[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amine; N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine; N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine; N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-Quinazolinamine; [6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE; [6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl-phenyl)-amine; 4-[(3-Ethynylphenyl)amino]-6,7-bis(2-methoxyethoxy)quinazoline; 4-[(3-ethynylphenyl)amino]-6,7-bis(2-methoxyethoxy)quinazoline"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:114785	DB00530	DR00558	.	393.4	C22H23N3O4	74.7	525	3.3	29	1	7	11	"1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)"	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N
DG00102	Teriflunomide	54684141	.	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:68540	DB08880	DR00092	.	270.21	C12H9F3N2O2	73.1	426	3.3	19	2	6	2	"1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-"	C/C(=C(\\C#N)/C(=O)NC1=CC=C(C=C1)C(F)(F)F)/O	UTNUDOFZCWSZMS-YFHOEESVSA-N
DG00103	Curcumin	969516	"Curcumin; 458-37-7; Diferuloylmethane; Natural yellow 3; Turmeric yellow; Turmeric; Curcuma; Kacha haldi; Gelbwurz; Indian saffron; Curcumin I; Souchet; Halud; Halad; Haidr; Haldar; Merita earth; Yellow Ginger; Terra Merita; Yellow Root; Safran d'Inde; Yo-Kin; Golden seal; Curcuma oil; Orange Root; Oils, curcuma; CI Natural Yellow 3; Curcumine; Hydrastis; Indian turmeric; Yellow puccoon; Turmeric extract; Diferaloylmethane; Kurkumin [Czech]; (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione; Tumeric yellow; Turmeric oil"	Phase 4	4	Approved Drug(s)	Phase 4	Small molecular drug	.	CHEBI:3962	DB11672	DR00559	DR1941	368.4	C21H20O6	93.1	507	3.2	27	2	6	8	"1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+"	COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O	VFLDPWHFBUODDF-FCXRPNKRSA-N
DG00104	Lividomycin A	72394	Lividomycin A; Lividomycin; Quintomycin B; Mannosyldeoxyparomomycin; Antibiotic 503-2; Antibiotic SF 767 A; Lividomycinum; Lividomycine; 36441-41-5; Lividomicina; SF 767 A; Livodymycin; Lividomycin [INN:DCF]; Lividomycinum [INN-Latin]; Lividomycine [INN-French]; Lividomicina [INN-Spanish]; UNII-A606AJ494W; BRN 6763509; CHEBI:71961; Lividomycin A sulfate salt; A606AJ494W	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:71961	DB04728	.	.	761.8	C29H55N5O18	406	1130	-9.9	52	15	23	12	"1S/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2/t7-,8+,9-,10+,11+,12-,13-,14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+/m1/s1"	C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H](C[C@@H]([C@H](O2)CO)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)N)O)O)N	DBLVDAUGBTYDFR-SWMBIRFSSA-N
DG00105	Lamivudine	60825	"Lamivudine; 134678-17-4; Epivir; Zeffix; Heptovir; Epivir-HBV; Hepitec; Heptodin; BCH-189; 3TC; Heptivir; CIS-LAMIVUDINE; (-)-2'-Deoxy-3'-thiacytidine; 4-amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one; GR-109714X; 3'-Thia-2',3'-dideoxycytidine; (-)-BCH-189; Lamivudine [USAN:BAN:INN]; GR109714X; beta-L-3'-Thia-2',3'-dideoxycytidine; beta-L-2',3'-Dideoxy-3'-thiacytidine; (-)NGPB-21; 136891-12-8; 2',3'-Dideoxy-3'-thiacytidine; (-)-BCH 189; UNII-2T8Q726O95; HSDB 7155; GR 109714X; DTHC; LMV; Lamivir; Zefix; BCH 189; BCH189; BCH-790; DRG-0126; Epivir (TN); Epivir(TM); GG-714; HHA & 3TC; HHA & Lamivudine; Heptovir (TN); Lamivudine & GNA; Zeffix (TN); Epivir-HBV (TN); Lamivudine [USAN:INN:BAN]; Lamivudine (JAN/USP/INN); Lamivudine, (2S-cis)-Isomer; Beta-L-2',3'-Dideoxy-3'-thiacytidine; Beta-L-3'-Thia-2',3'-dideoxycytidine; Beta-L-(-)-2',3'-dideoxy-3'-thiacytidine & Sho-Saiko-To; (+/-)-(Cis)-1-[2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine; (+/-)-3TC; (+/-)-BCH-189; (+/-)-SddC; (-)-(2'R,5'S)-1-[2'-Hydroxymethyl-5'-(1,3-oxathiolanyl)]cytosine; (-)-1-((2R,5S)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine; (-)-1-[(2R,5S)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine; (-)-NGPB-21; (-)-SddC; (-)-beta-L-2',3'-Dideoxy-3'-thiacytidine; (2R,cis)-4-amino-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one; 2',3' Dideoxy 3' thiacytidine; 2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl], (+/-)-(Cis); 2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl], (-)-(2R,5S); 2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl], (-)-(2R,5S) & Galanthus Nivalis Agglutinin (GNA); 2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl], (-)-(2R,5S) & Hippeastrum hybrid agglutinin(HHA); 3TC & GNA; 3TC & SST; 3TC (AIDS INITIATIVE) (AIDS INITIATIVE); 3TC and NV-01; 3TC, Zeffix, Heptovir, Epivir, Epivir-HBV, Lamivudine; 4-Amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone; 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one; 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; Efavirenz/lamivudine/tenofovir fumarate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63577	DB00709	DR00116	DR0912	229.26	C8H11N3O3S	113	331	-0.9	15	2	4	2	"1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1"	C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N	JTEGQNOMFQHVDC-NKWVEPMBSA-N
DG00106	Linezolid	441401	"Linezlid; ZLD; Zyvox; Zyvoxa; Zyvoxam; Zyvoxid; PNU 100766; U 100766; Linezolid & VRC3375; Linezolid [USAN:INN]; PNU-100766; U-100766; Zyvox (TN); Zyvoxam (TN); Zyvoxid (TN); NDA 21-130 Zyvox (linezolid tablets); NDA 21-131 Zyvox for injection (linezolid injection); NDA 21-132 Zyvox oral suspension (linzolid oral suspension); Linezolid (JAN/USAN/INN); PNU-100766, U-100766, Zyvoxid, Zyvoxam, Linezolid; N-((3-(3-fluoro-4-morpholinylphenyl)-2-oxo-5-oxazolidinyl)methyl)acetamide; N-(((S)-3-(3-Fluoro-4-morpholinophenyl)-2-oxo-5-oxazolidinyl)methyl)acetamide; N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide; N-({5S)-3-[3-Fluoro-4-(4-morpholinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide, N-[[(S)-3-(3-Fluoro-4-morpholinophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide; (S)-N-[[3-(3-fluoro-4-morpholinylphenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide; 111GE017"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63607	DB00601	DR00748	.	337.35	C16H20FN3O4	71.1	472	0.7	24	1	6	4	"1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1"	CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F	TYZROVQLWOKYKF-ZDUSSCGKSA-N
DG00107	Isavuconazole	6918485	"Isavuconazole; 241479-67-4; isavuconazol; BAL 4815; BAL-4815; UNII-60UTO373KE; Isavuconazole [INN]; 60UTO373KE; Isavuconazole(BAL-4815; RO-0094815); RO 0094815; CHEBI:85979; Isavuconazole (INN); RO-0094815; 4-[2-[(1R,2R)-2-(2,5-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile; 1286730-05-9; 4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85979	DB11633	.	DR0883	437.5	C22H17F2N5OS	116	657	3.5	31	1	8	6	"1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1"	C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=NC=N3)(C4=C(C=CC(=C4)F)F)O	DDFOUSQFMYRUQK-RCDICMHDSA-N
DG00108	Arsenic trioxide	14888	Arsenox; Arsentrioxide; Naonobin; Trisenox; Trixenox; Acide arsenieux [French]; Anhydride arsenieux [French]; Arseni trioxydum; Arsenic blanc [French]; Arsenic trioxide [JAN]; Arsenigen saure [German]; Arsenious Acid Anhydride; Arsenious trioxide; Arsenous oxide [ISO]; Oxyde Arsenieux; Arsenic trioxide [UN1561] [Poison]; Arsenic oxide (As2O3); Arsenic(III) trioxide; Oxyde Arsenieux [ISO-French]; Trisenox (TN); Arsenic trioxide (JP15/USAN); Arsenic(3+)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01169	DR00119	.	197.84	As2O3	3	0	.	5	0	3	0	1S/2As.3O/q2*+3;3*-2	[O-2].[O-2].[O-2].[As+3].[As+3]	QTLQKAJBUDWPIB-UHFFFAOYSA-N
DG00109	Doxorubicin	31703	"Doxorubicin; 23214-92-8; Doxil; Doxorubicine; Adriablastin; Doxorubicinum; 14-Hydroxydaunomycin; 14-Hydroxydaunorubicine; Doxorubicina; Adriamycin semiquinone; Doxorubicinum [INN-Latin]; Doxorubicine [INN-French]; Doxorubicina [INN-Spanish]; Myocet; FI 106; Doxorubicin [USAN:INN:BAN]; CCRIS 739; NDC 38242-874; HSDB 3070; UNII-80168379AG; NCI-C01514; EINECS 245-495-6; CHEMBL53463; CHEBI:28748; 5,12-Naphthacenedione,; ADM; ADR; ThermoDox; Aerosolized Doxorubicin; Doxorubicin citrate; RDF Rubex; Conjugate of doxorubicin with humanized monoclonal antibody LL1 against CD74; DM2; JT9100000; Adiblastine (hydrochloride salt); Adr iablatina (hydrochloride salt); Adriablastine (hydrochloride salt); Adriablatina (hydrochloride salt); Adriacin (hydrochloride salt); Adriamycin PFS (TN); Adriamycin PFS (hydrochloride salt); Adriamycin RDF (TN); Adriamycin RDF (hydrochloride salt); Adriblastina (TN); Adriblastina (hydrochloride salt); Adriblatina (hydrochloride salt); Caelyx (TN); Conjugate of doxorubicin with monoclonal antibody P4/D10 against GP120; DOX-SL; Doxorubicin hydrochloride (hydrochloride salt); Doxorubicin-hLL1; Doxorubicin-hLL1 conjugate; Farmablastina (hydrochloride salt); Hydroxydaunomycin hydrochlor ide (hydrochloride salt); Hydroxydaunomycin hydrochloride (hydrochloride salt); Hydroxydaunorubicin hydrochloride (hydrochloride salt); Myocet (TN); Rubex (TN); Rubex (hydrochloride salt); TLC D-99; Doxorubicin (USAN/INN); Doxorubicin-P4/D10; Doxorubicin-P4/D10 conjugate; Cantide + adriamycin"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28748	DB00997	DR00301	DR0546	543.5	C27H29NO11	206	977	1.3	39	6	12	5	"1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1"	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N
DG00112	Cytarabine	6253	"Alexan; AraC; Arabinocytidine; Arabinofuranosylcytosine; Arabinosylcytosine; Arabitin; Aracytidine; Aracytin; Aracytine; Arafcyt; Citarabina; Cytarabin; Cytarabina; Cytarabinoside; Cytarabinum; Cytarbel; Cytonal; Cytosar; Cytosinearabinoside; DepoCyte; Depocyt; Erpalfa; Iretin; Spongocytidine; Tarabine; Udicil; Arabinosyl Cytosine; Cytarabine liposome injection; Cytosine arabinofuranoside; Cytosine arabinose; Cytosine arabinoside; AR3; BTB15125; CHX 3311; U 19920A; Ara-C; Ara-Cytidine; Beta-Ara C; Beta-Arabinosylcytosine; Beta-cytosine arabinoside; Citarabina [INN-Spanish]; Cytarabinum [INN-Latin]; Cytosar-U; Cytosine arabinoside (VAN); Depocyt (TN); Depocyt (liposomal); Intrathecal (injected into the spinal fluid) DepoCyt; U-19920; Beta-D-Arabinosylcytosine; Cytosar-U (TN); Cytosine beta-D-arabinofuranoside; Cytosine beta-D-arabinofuranoside hydrochloride; Cytosine beta-D-arabinoside; Cytosine-beta-arabinoside; Intrathecal cytarabine (also known as ara-C); U-19,920; CYTARABINE (SEE ALSO CYTARABINE HYDROCHLORIDE 69-74-9); Cytarabine (JP15/USP/INN); Cytarabine [USAN:INN:BAN:JAN]; Cytosine 1-beta-D-arabinofuranoside; Cytosine, beta-D-arabinoside; Cytosine-beta-D-arabinofuranoside; Cytosine-1-beta-D-arabinofuranoside; Ara-C, Cytosine Arabinoside, Cytosar-U, Cytarabine; (beta-D-Arabinofuranosyl)cytosine; 1-.beta.-D-arabinofuranosyl-cytosine; 1-Arabinofuranosylcytosine; 1-beta-D-Arabinofaranosylcytosine; 1-beta-D-Arabinofuranosyl-4-amino-2(1H)pyrimidinone; 1-beta-D-Arabinofuranosylcytosine; 1-beta-D-Arabinofuranosylcytosine, Cytosine Arabinoside; 1-beta-D-Arabinosylcytosine; 1beta-Arabinofuranasylcytosine; 1beta-D-Arabinofuranosylcytosine; 1beta-D-Arabinosylcytosine; 2(1H)-Pyrimidinone, 4-amino-1-D-arabinofuranosyl-[CAS]; 4-Amino-1-arabinofuranosyl-2-oxo-1,2-dihydropyrimidin; 4-Amino-1-arabinofuranosyl-2-oxo-1,2-dihydropyrimidin [Czech]; 4-Amino-1-arabinofuranosyl-2-oxo-1,2-dihydropyrimidine; 4-Amino-1-b-D-arabinofuranosyl-2-(1H)-pyrimidinone; 4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinon; 4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinon [Czech]; 4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinone; 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; 4-amino-1-beta-D-arabinofuranosylpyrimidin-2(1H)-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28680	DB00987	DR00416	DR0398	243.22	C9H13N3O5	129	383	-2.1	17	4	5	2	"1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1"	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N
DG00115	Lapatinib	208908	"FMM; Tycerb; Lapatinib Ditosylate; Lapatinib [INN]; Lapatinib tosilate hydrate; GSK 572016; GSK572016; GW 572016; GW 572016X; GW572016; Lapatinib (INN); Tykerb (TN); Lapatinib, Tykerb, GW572016; N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine; N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE; N-(3-Chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-((2-methylsulfonylethylamino)methyl)-2-furyl)quinazolin-4-amine; N-(3-Chloro-4-{[(3-fluorophenyl)methyl]oxy}phenyl)-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furanyl]-4-quinazolinamine; 4-[[3-Chloro-4-(3-fluorobenzyloxy)phenyl]amino]-6-[5-[[(2-methanesulfonylethyl)amino]methyl]furan-2-yl]quinazoline; Lapatinib (ERBB2 inhibitor)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:49603	DB01259	DR00120	.	581.1	C29H26ClFN4O4S	115	898	5.1	40	2	9	11	"1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)"	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N
DG00116	Cabotegravir	54713659	"Cabotegravir; 1051375-10-0; GSK1265744; UNII-HMH0132Z1Q; GSK744; GSK1265744A; GSK-1265744; HMH0132Z1Q; Cabotegravir (GSK744, GSK1265744); CAB; Oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide, N-[(2,4-difluorophenyl)methyl]-2,3,5,7,11,11a-hexahydro-6-hydroxy-3-methyl-5,7-dioxo-, (3S,11aR)-;Oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide, N-[(2,4-difluorophenyl)methyl]-2,3,5,7,11,11a-hexahydro-6-hydroxy-3-methyl-5,7-dioxo-, (3S,11aR)-; Cabotegravir [USAN:INN]; GSK744 LAP; GSK744 LA; S/GSK1265744; GSK 744; 744 LA; GSK 1265"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11751	.	DR1829	405.4	C19H17F2N3O5	99.2	814	2.1	29	2	8	3	"1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1"	C[C@H]1CO[C@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O	WCWSTNLSLKSJPK-LKFCYVNXSA-N
DG00117	Minocycline	54675783	"Borymycin; MINO; MIY; Minociclina; Minociclinum; Minocin; Minocline; Minocyclin; Minocyclinum; Minocycline Monohydrochloride; CL 59806; Lactoferrin B & Minocycline; Lactoferrin H & Minocycline; Minociclina [INN-Spanish]; Minocin (Hydrochloride); Minocin (TN); Minocyclinum [INN-Latin]; Vectrin (Hydrochloride); CRL-1605 & Minocycline; Minocycline (USAN/INN); Minocycline [USAN:BAN:INN]; (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE; 4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide; 7-Dimethylamino-6-demethyl-6-deoxytetracycline"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:50694	DB01017	.	.	457.5	C23H27N3O7	165	971	-0.6	33	5	9	3	"1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1"	CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C	FFTVPQUHLQBXQZ-KVUCHLLUSA-N
DG00118	Tetracycline	54675776	"Amycin; Biocycline; Bristaciclin; Bristaciclina; Bristacycline; Ciclibion; Copharlan; Cyclomycin; Cytome; Dumocyclin; Enterocycline; Medocycline; Resteclin; Robitet; Sanclomycine; Tetrachel; Veracin; Bristaciclin alpha; Cefracycline suspension; Component of Tetrastatin; Sumycin syrup; Tetracycline Free Base; Tetracycline I; Tetracycline II; Tetracycline Monohydrochloride; Achromycin (naphthacene derivative); Achromycin, naphthacene derivative; Centet (base); Lemtrex (base); Liquamycin (Veterinary); Liquamycin, veterinary; Panmycin (TN); Piracaps (base); Polycycline (VAN); Polycycline (antibiotic); Polycycline, antibiotic; SK-Tetracycline; Sumycin (TN); T-125; Tetra-Co; Tetraciclina [INN-Spanish]; Tetracycline & VRC3375; Tetracycline (internal use); Tetracyclinum [INN-Latin]; Tetracyn (TN); Vetquamycin-324 (free base); Tetracycline (JAN/USP/INN); Tetracycline [USAN:INN:BAN:JAN]; Methyl-1,11-dioxo-2-naphthacenecarboxamide; 6-Methyl-1,11-dioxy-2-naphthacenecarboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:27902	DB00759	DR00127	DR1568	444.4	C22H24N2O8	182	971	-2	32	6	9	2	"1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1"	C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O	NWXMGUDVXFXRIG-WESIUVDSSA-N
DG00119	Ribostamycin	33042	"Ribostamycin; Vistamycin; Hetangmycin; Xylostatin; Antibiotic SF 733; Ribostamycinum; Ribostamicina; Ribostamycine; Ribastamin; Dekamycin IV; SF 733; 25546-65-0; ribostamycin A; Ribostamycin [INN:BAN]; Bu 1709; Ribostamycine [INN-French]; Ribostamycinum [INN-Latin]; UNII-2Q5JOU7T53; SF-733; Ribostamicina [INN-Spanish]; C17H34N4O10; EINECS 247-091-5; NSC 138925; BRN 1357280; 2Q5JOU7T53; CHEBI:45257; NSC138925; O-2,6-Diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1->4)-O-(beta-D-ribofuranosyl-(1->5))-2-deoxystreptamine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45257	DB03615	.	.	454.5	C17H34N4O10	262	593	-6.3	31	10	14	6	"1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1"	C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N	NSKGQURZWSPSBC-VVPCINPTSA-N
DG00120	Epidermal growth factor	56841751	"62229-50-9; Urogastrone; Uroenterone; Uroanthelone; Urogastron; Kutrol; beta-Urogastrone; Anthelone U; Urogastrone [JAN]; Gastrone, gamma-uro-; Gastrone, beta-uro- (human); Epidermal growth factor (egf); CCRIS 7234; EINECS 263-468-7; EPIDERMAL GROWTH FACTOR-UROGASTRONE; Gastrone, uro- (9CI); 9010-53-1; Gentel (TN); EGF"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB14145	.	DR1921	6046	C257H381N73O83S7	2560	15400	-19.6	420	96	96	193	"1S/C257H381N73O83S7/c1-20-123(15)203(245(404)283-103-192(351)285-157(80-127-42-52-135(339)53-43-127)222(381)313-171(104-331)210(369)281-101-191(350)287-167(92-198(360)361)228(387)290-146(37-27-70-273-255(265)266)213(372)318-177(110-414)238(397)292-148(62-65-185(259)344)217(376)327-205(125(17)337)249(408)294-147(38-28-71-274-256(267)268)212(371)309-168(93-199(362)363)229(388)298-153(76-117(3)4)218(377)289-145(36-26-69-272-254(263)264)211(370)303-162(86-133-96-277-144-35-25-23-33-141(133)144)226(385)304-161(85-132-95-276-143-34-24-22-32-140(132)143)225(384)291-149(63-66-195(354)355)214(373)297-154(77-118(5)6)219(378)296-152(253(412)413)39-29-72-275-257(269)270)326-247(406)202(122(13)14)324-242(401)181(114-418)320-227(386)165(90-188(262)347)307-241(400)180(113-417)322-250(409)206(126(18)338)328-231(390)160(83-130-48-58-138(342)59-49-130)302-234(393)174(107-334)315-230(389)169(94-200(364)365)310-221(380)155(78-119(7)8)299-233(392)173(106-333)314-215(374)150(64-67-196(356)357)295-248(407)204(124(16)21-2)325-232(391)163(87-134-97-271-116-284-134)305-216(375)151(68-75-420-19)293-239(398)179(112-416)321-246(405)201(121(11)12)323-194(353)99-278-189(348)98-279-208(367)164(89-187(261)346)306-220(379)156(79-120(9)10)300-240(399)178(111-415)319-223(382)158(81-128-44-54-136(340)55-45-128)286-190(349)100-280-209(368)166(91-197(358)359)308-224(383)159(82-129-46-56-137(341)57-47-129)301-235(394)175(108-335)316-237(396)176(109-336)317-244(403)184-41-31-74-330(184)252(411)182(115-419)288-193(352)102-282-243(402)183-40-30-73-329(183)251(410)170(84-131-50-60-139(343)61-51-131)311-236(395)172(105-332)312-207(366)142(258)88-186(260)345/h22-25,32-35,42-61,95-97,116-126,142,145-184,201-206,276-277,331-343,414-419H,20-21,26-31,36-41,62-94,98-115,258H2,1-19H3,(H2,259,344)(H2,260,345)(H2,261,346)(H2,262,347)(H,271,284)(H,278,348)(H,279,367)(H,280,368)(H,281,369)(H,282,402)(H,283,404)(H,285,351)(H,286,349)(H,287,350)(H,288,352)(H,289,377)(H,290,387)(H,291,384)(H,292,397)(H,293,398)(H,294,408)(H,295,407)(H,296,378)(H,297,373)(H,298,388)(H,299,392)(H,300,399)(H,301,394)(H,302,393)(H,303,370)(H,304,385)(H,305,375)(H,306,379)(H,307,400)(H,308,383)(H,309,371)(H,310,380)(H,311,395)(H,312,366)(H,313,381)(H,314,374)(H,315,389)(H,316,396)(H,317,403)(H,318,372)(H,319,382)(H,320,386)(H,321,405)(H,322,409)(H,323,353)(H,324,401)(H,325,391)(H,326,406)(H,327,376)(H,328,390)(H,354,355)(H,356,357)(H,358,359)(H,360,361)(H,362,363)(H,364,365)(H,412,413)(H4,263,264,272)(H4,265,266,273)(H4,267,268,274)(H4,269,270,275)/t123-,124-,125+,126+,142-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,201-,202-,203-,204-,205-,206-/m0/s1"	CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)N	VBEQCZHXXJYVRD-GACYYNSASA-N
DG00121	Ticarcillin	36921	"TIPC; Ticarcilina; Ticarcilline; Ticarcillinum; Ticarcillin Supplement; Ticillin [veterinary]; BRL-2288; Ticarcilina[INN-Spanish]; Ticarcillin (INN); Ticarcillin [INN:BAN]; Ticarcilline [INN-French]; Ticarcillinum [INN-Latin]; Ticillin [veterinary] (TN); Timentin (TN); A-carboxy-3-thienylmethylpenicillin; Alpha-carboxy-3-thienylmethylpenicillin; (2S,5R,6R)-6-[[(2R)-3-hydroxy-3-oxo-2-thiophen-3-ylpropanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-{[(2R)-2-carboxy-2-(3-thienyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-{[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 6beta-{[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino}-2,2-dimethylpenam-3alpha-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9587	DB01607	.	DR2409	384.4	C15H16N2O6S2	178	640	0.8	25	3	8	5	"1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CSC=C3)C(=O)O)C(=O)O)C	OHKOGUYZJXTSFX-KZFFXBSXSA-N
DG00122	LFF571	42638236	.	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB13013	.	.	1366.6	C60H63N13O13S6	539	2570	5.4	92	8	26	17	"1S/C60H63N13O13S6/c1-28(2)44-58-72-47(39(92-58)23-85-5)51(80)62-22-42(75)69-48(49(78)30-11-7-6-8-12-30)57-67-38(26-89-57)55-65-36(24-88-55)46-33(53-66-37(25-87-53)50(79)64-35(21-41(74)61-4)56-71-45(29(3)91-56)52(81)70-44)18-19-34(63-46)54-68-40(27-90-54)73(20-10-9-13-43(76)77)60(84)86-32-16-14-31(15-17-32)59(82)83/h6-8,11-12,18-19,24-28,31-32,35,44,48-49,78H,9-10,13-17,20-23H2,1-5H3,(H,61,74)(H,62,80)(H,64,79)(H,69,75)(H,70,81)(H,76,77)(H,82,83)/t31 ,32 ,35-,44-,48-,49-/m0/s1"	CC1=C2C(=O)N[C@H](C3=NC(=C(S3)COC)C(=O)NCC(=O)N[C@H](C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)N(CCCCC(=O)O)C(=O)OC8CCC(CC8)C(=O)O)C9=NC(=CS9)C(=O)N[C@H](C(=N2)S1)CC(=O)NC)[C@H](C1=CC=CC=C1)O)C(C)C	GNLYKLDXQZHYTR-QWSGWXDSSA-N
DG00123	Epigallocatechin gallate	65064	.	Phase 4	4	Approved Drug(s)	Phase 4	Small molecular drug	.	CHEBI:4806	DB12116	.	.	458.4	C22H18O11	197	667	1.2	33	8	11	4	"1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1"	C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O	WMBWREPUVVBILR-WIYYLYMNSA-N
DG00124	Colchicine	6167	"Colchicin; Colchicina; Colchicinum; Colchineos; Colchisol; Colchysat; Colcin; Colcrys; Colsaloid; Colstat; Condylon; Goutnil; Kolkicin; LOC; Binds to tubulin; Colchicin [German]; Colchicina [Italian]; Colchicine [JAN]; Inhibits microtubular assembly; Spindle poison; C 9754; Colchicine (TN); Colchicine, Colchicum autumnale; MPC-004; N-Acetyl trimethylcolchicinic acid methylether; Colchicine (JP15/USP); Colchicine, (R)-Isomer; Benzo(a)heptalen-9(5H)-one; Colchicine, (+-)-Isomer; N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide; N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide; N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide; N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]acetamide; N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[.alpha.]heptalen-7-yl)-acetamide; N-((7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-acetamide; (S)-N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide; 7-alpha-H-Colchicine; 7.alpha.H-Colchicine; 7alphaH-Colchicine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:27882	DB01394	.	.	399.4	C22H25NO6	83.1	740	1	29	1	6	5	"1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1"	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC	IAKHMKGGTNLKSZ-INIZCTEOSA-N
DG00125	Chloroquine	2719	Amokin; Aralen; Aralen HCl; Arechin; Arechine; Arequin; Arolen; Arthrochin; Artrichin; Avlochlor; Avloclor; Bemaco; Bemaphate; Bemasulph; Benaquin; Bipiquin; CU-01000012392-2; Capquin; Chemochin; Chingamin; Chloraquine; Chlorochin; Chlorochine; Chlorochinum; Chloroin; Chloroquin; Chloroquina; Chloroquine (USP/INN); Chloroquine (VAN); Chloroquine Bis-Phosphoric Acid; Chloroquine FNA (TN); Chloroquine [USAN:INN:BAN]; Chloroquine phosphate; Chloroquinium; Chloroquinum; Chloroquinum [INN-Latin]; Chlorquin; Cidanchin; Clorochina; Clorochina [DCIT]; Cloroquina; Cloroquina [INN-Spanish]; Cocartrit; Dawaquin (TN); Delagil; Dichinalex; Elestol; Gontochin; Gontochin phosphate; Heliopar; Imagon; Ipsen 225; Iroquine; Khingamin; Klorokin; Lapaquin; Malaquin; Malaquin (*Diphosphate*); Malaren; Malarex; Mesylith; Miniquine; Neochin; Nivachine; Nivaquine B; Pfizerquine; Quinachlor; Quinagamin; Quinagamine; Quinercyl; Quingamine; Quinilon; Quinoscan; RP 3377; RP-3377; Resochen; Resochin; Resochin (TN); Resoquina; Resoquine; Reumachlor; Reumaquin; Rivoquine; Ro 01-6014/N2; Ronaquine; Roquine; SN 6718; SN-7618; ST 21; ST 21 (pharmaceutical); Sanoquin; Silbesan;Siragan; Solprina; Sopaquin; Tanakan; Tanakene; Tresochin; Trochin; W 7618;WIN 244	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3638	DB00608	DR00572	DR0301	319.9	C18H26ClN3	28.2	309	4.6	22	1	3	8	"1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)"	CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl	WHTVZRBIWZFKQO-UHFFFAOYSA-N
DG00126	Clotrimazole	2812	Canesten; Canestene; Canestine; Canifug; Chlotrimazole; Cimitidine; Clomatin; Clotrimaderm; Clotrimazol; Clotrimazolum; Clotrimeizol; Cutistad; Empecid; Esparol; FemCare; Gynix; Kanesten; Klotrimazole; Lotrimax; Lotrimin; Monobaycuten; Mycelax; Mycelex; Mycofug; Mycosporin; Mykosporin; Nalbix; Pedisafe; Rimazole; Stiemazol; Tibatin; Trimysten; Canesten Cream; Canesten Solution; Clotrimazole Schering Brand; Desamix F; Fem Care; Gyne lotrimin; Lotrimin AF Cream; Lotrimin AF Lotion; Lotrimin AF Solution; Lotrimin Af; Lotrimin Cream; Lotrimin Lotion; Lotrimin Solution; Mycelex Cream; Mycelex G; Mycelex OTC; Mycelex Solution; Mycelex Troches; Mycelex Twin Pack; Myclo Cream; Myclo Solution; Myclo Spray Solution; Schering Brand of Clotrimazole; B 5097; Bay b 9057; Bayer Brand 1 of Clotrimazole; Bayer Brand 2 of Clotrimazole; C 6019; FB 5097; FB b 5097; Mycelex 7; Trivagizole 3; Bay-B 5097; Candid Vaginal (TN); Candinil (TN); Canesten (TN); Canesten 1-Day Therapy; Canesten 3-Day Therapy; Canesten 6-Day Therapy; Clobrate VT (TN); Clotrimazol [INN-Spanish]; Clotrimazolum [INN-Latin]; DRG-0072; Gino-Lotremine; Gyne-Lotrimin; Gyne-Lotrimin 3; Gyne-Lotrimin 3 Combination Pack; Gyne-Lotrimin Combination Pack; Lotrimin (TN); Lotrimin AF Jock-Itch Cream; Mono-baycuten; Mycelex (TN); Mycelex-7; Mycelex-7 Combination Pack; Mycelex-G; Mycelex: MycosporinRimazole; Myclo-Gyne; Neo-Zol Cream; Pan-Fungex; Cancap-VT (TN); Candid - V Gel (TN); Canesten 1-Day Cream Combi-Pak; Canesten Combi-Pak 1-Day Therapy; Canesten Combi-Pak 3-Day Therapy; Clotrimazole (JP15/USP/INN); Clotrimazole [USAN:INN:BAN:JAN]; (Chlorotrityl)imidazole; 1-(o-Chlorotrityl)imidazole	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3764	DB00257	DR00574	DR0362	344.8	C22H17ClN2	17.8	396	5	25	0	1	4	"1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H"	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4	VNFPBHJOKIVQEB-UHFFFAOYSA-N
DG00127	Telithromycin	3002190	"Ketek; Levviax; TEL; HMR 3647; HMR3647; RU 66647; RU66647; HMR-3647; Ketek (TN); RU-66647; Telithromycin [USAN:BAN:INN]; Telithromycin (JAN/USAN/INN); (1R,2R,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone; (1R,2R,4R,6R,7R,8R,10S,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone; (1R,2R,4R,6S,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone; (1R,2S,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone; 11,12-Dideoxy-3-des(2,6-dideoxy-3-C,3-O-dimethyl-alpha-L-altropyranosyloxy)-6-O-methyl-3-oxo-12,11-(oxycarbonylimino)-N11-[4-[4-(3-pyridyl)imidazol-1-yl]butyl]erythromycin A"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:29688	DB00976	DR00576	DR1544	812	C43H65N5O10	172	1440	4.2	58	1	13	11	"1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1"	CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)C	LJVAJPDWBABPEJ-PNUFFHFMSA-N
DG00128	Intedanib	135423438	"Nintedanib; Vargatef; 656247-17-5; BIBF-1120; BIBF 1120; 928326-83-4; BIBF1120; Nintedanib (BIBF 1120); OFEV; UNII-G6HRD2P839; (Z)-methyl 3-((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenylamino)(phenyl)methylene)-2-oxoindoline-6-carboxylate; G6HRD2P839; CHEBI:85164; 1160294-26-7; Methyl (3z)-3-{[(4-{methyl[(4-Methylpiperazin-1-Yl)acetyl]amino}phenyl)amino](Phenyl)methylidene}-2-Oxo-2,3-Dihydro-1h-Indole-6-Carboxylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85164	DB09079	DR00137	.	539.6	C31H33N5O4	102	892	4.3	40	2	7	8	"1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,33,38H,15-18,20H2,1-3H3"	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N
DG00129	Cefazolin	33255	"CEZ; Cefamezin; Cefamezine; Cefazolina; Cefazoline; Cefazolinum; Cephamezine; Cephazolidin; Cephazolin; Cephazoline; Elzogram; Cephazolin Sodium; Ancef (TN); Cefacidal (TN); Cefamezin (TN); Cefazolin (USP); Cefazolin [USAN:INN]; Cefazolin(usp); Cefazolina [INN-Spanish]; Cefazoline [INN-French]; Cefazolinum [INN-Latin]; Cefrina (TN); Elzogram (TN); Faxilen (TN); Gramaxin (TN); Kefazol (TN); Kefol (TN); Kefzol (TN); Kefzolan (TN); Kezolin (TN); Novaporin (TN); Zolicef (TN); (6R, 7R)-3-[[(5-Methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[1H-tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-(((5-Methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(2-(1H-tetrazol-1-yl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R-trans)-3-(((5-Methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(((1H-tetrazol-1-yl)acetyl)-amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7beta-[(1H-tetrazol-1-ylacetyl)amino]-3,4-didehydrocepham-4-carboxylic acid; 7-(1-(1H-)-Tetrazolylacetamido)-3-(2-(5-methyl-1,3,4-thiadiazolyl)thiomethyl)delta3-cephem-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:474053	DB01327	DR00577	DR2503	454.5	C14H14N8O4S3	235	740	-0.4	29	2	12	7	"1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1"	CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O	MLYYVTUWGNIJIB-BXKDBHETSA-N
DG00130	Ibrutinib	24821094	PCI-32765; Ibrutinib (BTK inhibitor)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:76612	DB09053	DR01270	DR0843	440.5	C25H24N6O2	99.2	678	3.6	33	1	6	5	"1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1"	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N
DG00131	Fluconazole	3365	"Afungil; Alflucoz; Baten; Beagyne; Biocanol; Biozolene; Canzol; Cryptal; Diflazon; Diflucan; Dimycon; Elazor; FCZ; FLCZ; Flucazol; FlucoLich; Flucobeta; Fluconazol; Fluconazolum; Flucostat; Flukezol; Flunazul; Flunizol; Fluzone; Forcan; Fuconal; Fungata; Lavisa; Loitin; Mutum; Neofomiral; Oxifugol; Oxifungol; Pritenzol; Solacap; Syscan; TPF; Triflucan; Zemyc; Zoltec; Zonal; AbZ Brand of Fluconazole; Aliud Brand of Fluconazole; Alpharma Brand of Fluconazole; Apo Fluconazole; Apotex Brand of Fluconazole; Armstrong Brand of Fluconazole; Betapharm Brand of Fluconazole; Chemia Brand of Fluconazole; Ct Arzneimittel Brand of Fluconazole; Effik Brand of Fluconazole; Fluc Hexal; Fluconazol AL; Fluconazol AbZ; Fluconazol Isis; Fluconazol Stada; Fluconazol [Spanish]; Fluconazol ratiopharm; Fluconazol von ct; Fluconazolum [Latin]; Hexal Brand of Fluconazole; Lesvi Brand of Fluconazole; Lichtenstein Brand of Fluconazole; Mack Brand of Fluconazole; Pfizer Brand of Fluconazole; Pfleger Brand of Fluconazole; Ratiopharm Brand of Fluconazole; SAT Brand of Fluconazole; Silanes Brand of Fluconazole; Stada Brand of Fluconazole; Vita Brand of Fluconazole; F0677; Fluconazole in combination with MGCD290; UK 49858; UK49858; Alfumet (TN); Apo-Fluconazole; Ct-Arzneimittel Brand of Fluconazole; DIFLUCAN IN DEXTROSE 5% IN PLASTIC CONTAINER; DRG-0005; Diflucan (TN); Fluconazol-Isis; Fluconazol-ratiopharm; Fluconazole & Bovine Lactoferrin; Fluconazole & Human recombinant granulocyte colony stimulating factor; Fluconazole & hGCSF; Fluconazole in dextrose 5% in plastic container; Flucytosine & Nyotran; GL663142 & Fluconazole; KS-1059; Trican (TN); UK-49858; DIFLUCAN IN SODIUM CHLORIDE 0.9%; DIFLUCAN IN SODIUM CHLORIDE 0.9%IN PLASTIC CONTAINER; Fluconazole in sodium chloride 0.9%; Fluconazole in sodium chloride 0.9% in plastic container; Flucytosine & Nyotran(Liposomal Nystatin); XMP.284 & Fluconazole; XMP.366 & Fluconazole; XMP.391 & Fluconazole; Diflucan, Trican, Alfumet, Fluconazole; Fluconazole & MC-510,011; Fluconazole (JAN/USAN/INN); Fluconazole [USAN:INN:BAN:JAN]; 2,4-Difluoro-alpha,alpha-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol; 2,4-difluoro-,1-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol; 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL; 2-(2,4-Difluoro-phenyl)-1,3-bis-[1,2,4]triazol-1-yl-propan-2-ol; 2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)-2-propanol; 2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol; 2-(2,4-Difluorophenyl)-1,3-di-1H-1,2,4-triazol-1-ylpropan-2-ol; 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:46081	DB00196	DR00578	DR0704	306.27	C13H12F2N6O	81.6	358	0.4	22	1	7	5	"1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2"	C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O	RFHAOTPXVQNOHP-UHFFFAOYSA-N
DG00132	Methadone	4095	"Adanon; Algovetin; Althose; Amidon; Amidone; Biscuits; Dextromethadone; Diaminon; Dollies; Dolly; Dolophin; Dolophine; Heptadone; Heptanon; Ketalgin; Levometadona; Levomethadonum; Levothyl; Metadona; Metadone; Metasedin; Methadon; Methadona; Methadonum; Methaquaione; Phenadone; Polamidone; Polamivet; Westadone; Dolophine HCL; Levomethadone [INN]; Metadona [Spanish]; Metadone [DCIT]; Methadona [Spanish]; Methadone HCL Intensol; Methadone M; Methadonum [Latin]; Racemic methadone; A 4624; AN 148; Hoechst 10820; K 174; Amidone (TN); D-Methadone; Dl-Methadone; Dolophine (TN); Heptadon (TN); Heptanon (pharmaceutical); L-Methadone; L-Polamidon; L-Polamivet; Levometadona [INN-Spanish]; Levomethadonum [INN-Latin]; Metadona [INN-Spanish]; Methadone (BAN); Methadone [INN:BAN]; Methadonum [INN-Latin]; Methadose (TN); Physeptone (TN); Sedo-Rapide; Symoron (TN); Dolophine (*Hydrochloride*); Fenadone (*Hydrochloride*); Heptadone (*Hydrochloride*); Heptanon (*Hydrochloride*); Hoescht 10820 (*Hydrochloride*); Phenadone (*Hydrochloride*); AN-148 (*Hydrochloride*); L-(+)-Methadone; S-(+)-Methadone; D-6-(Dimethylamino)-4,4-diphenyl-3-heptanone; L-6-(Dimethylamino)-4,4-diphenyl-3-heptanone; (+)-Methadone; (+-)-Methadone; (+/-)-Methadone; (+/-)-Tussal; (-)-(R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone; (-)-Methadone; (6R)-Methadone; (R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone; (R)-6-(Dimethylamino)-4,4-diphenyl-3-hetpanone; (S)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone; 3-Hetpanone, 6-(dimethylamino)-4,4-diphenyl-, (R)-(9CI); 6-(Dimethylamino)-4,4-diphenyl-3-heptanone dl-mixture; 6-(dimethylamino)-4,4-diphenylheptan-3-one; 6-Dimethylamino-4,4-diphenyl-3-heptanone; 6-dimethylamino-4,4-di(phenyl)heptan-3-one; 6S-Methadone"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6807	DB00333	.	.	309.4	C21H27NO	20.3	346	3.9	23	0	2	7	"1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3"	CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2	USSIQXCVUWKGNF-UHFFFAOYSA-N
DG00133	Vincristine	5978	"LCR; Leurocristine; Marqibo; Oncovine; Tecnocris; VCR; VIN; Vincasar; Vincristina; Vincristinum; Vincrstine; Vincrystine; Vinkristin; Indole alkaloid; Liposomal Vincristine; Onco TCS; Vincristina [DCIT]; Oncovin (TN); Tecnocris (TN); Vincristine (INN); Vincristine [INN:BAN]; Vincristinum [INN-Latin]; Lilly37231 (1:1 sulfate salt); Oncovin (1:1 sulfate salt); Vincasar (1:1 sulfate salt); Vincrex (1:1 sulfate salt); Vincaleukoblastine, 22-oxo-22-Oxovincaleukoblastine; Z-D-Val-Lys(Z)-OH; 22-Oxovincaleukoblastine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28445	DB00541	DR00143	.	825	C46H56N4O10	171	1750	2.8	60	3	12	10	"1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1"	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N
DG00134	Mercaptopurine	667490	"6-mercaptopurine; Ismipur; Leukerin; Leupurin; Mercaleukim; Mercaleukin; Mercaptopurin; Mercaptopurina; Mercaptopurinum; Mercapurin; Merkaptopuryna; Mern; Purimethol; Purinethiol; Purinethol; Thiopurine; Leupu rin; Mercaptopurin [German]; Mercaptopurina Wellcome; Mercaptopurine anhydrous; Merkaptopuryna [Polish]; Puri Nethol; BW 57 323H; Glaxo Wellcome Brand of 6 Mercaptopurine; GlaxoSmithKline Brand of 6 Mercaptopurine; M0063; NCIMech_000025; PM6; Wellcome Brand of 6 Mercaptopurine; Glaxo Wellcome Brand of 6-Mercaptopurine; GlaxoSmithKline Brand of 6-Mercaptopurine; Mercaptopurina [INN-Spanish]; Mercaptopurine (INN); Mercaptopurine (VAN); Mercaptopurine (anhydrous); Mercaptopurinum [INN-Latin]; Puri-Nethol; Purineantimetabolite: inhibits nucleic acid replication; Purinethol (TN); U-4748; Wellcome Brand of 6-Mercaptopurine; AG-670/31547064; Purine-6-thiol; Leukerin, 99%-Carc; Purine-6(1H)-thione; Purinethol, 6-mercaptopurine, 6-MP, Mercaptopurine; 6 MP; 6 Mercaptopurine Monohydrate; 6 Thiohypoxanthine; 6 Thiopurine; 6-MERCAPTOPURINE MONOHYDRATE; 6-MP; 6-Mercaptopurin; 6-Merkaptopurin; 6-Merkaptopurin [Czech]; 6-Purinethiol; 6-Thiohypoxanthine; 6-Thiopurine; 6-Thioxopurine; Mercaptopurine (Purine analog)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2208	DB01033	DR00145	DR1031	152.18	C5H4N4S	85.2	190	0	10	2	2	0	"1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)"	C1=NC2=C(N1)C(=S)N=CN2	GLVAUDGFNGKCSF-UHFFFAOYSA-N
DG00136	Isoniazid	3767	Abdizide; Andrazide; Anidrasona; Antimicina; Antituberkulosum; Armacide; Armazid; Armazide; Atcotibine; Azuren; Bacillen; Bacillin; Cedin; Cemidon; Chemiazid; Chemidon; Continazine; Cortinazine; Cotinazin; Cotinizin; Defonin; Dibutin; Diforin; Dinacrin; Ditubin; Ebidene; Eralon; Ertuban; Eutizon; Evalon; Fetefu; Fimalene; HIA; Hidranizil; Hidrasonil; Hidrulta; Hidrun; Hycozid; Hydra; Hydrazid; Hydrazide; Hyozid; Hyzyd; INH; Idrazil; Inah; Inizid; Iscotin; Isidrina; Ismazide; Isobicina; Isocid; Isocidene; Isocotin; Isohydrazide; Isokin; Isolyn; Isonerit; Isonex; Isoniacid; Isoniazida; Isoniazide; Isoniazidum; Isonicazide; Isonicid; Isonico; Isonicotan; Isonicotil; Isonicotinhydrazid; Isonicotinohydrazide; Isonide; Isonidrin; Isonikazid; Isonilex; Isonin; Isonindon; Isonirit; Isoniton; Isonizida; Isonizide; Isotamine; Isotebe; Isotebezid; Isotinyl; Isozid; Isozide; Isozyd; LANIZID; Laniazid; Laniozid; Mybasan; Neoteben; Neoxin; Neumandin; Nevin; Niadrin; Nicazide; Nicetal; Nicizina; Niconyl; Nicotibina; Nicotibine; Nicotisan; Nicozide; Nidaton; Nidrazid; Nikozid; Niplen; Nitadon; Niteban; Nydrazid; Nyscozid; Pelazid; Percin; Phthisen; Pycazide; Pyreazid; Pyricidin; Pyridicin; Pyrizidin; Raumanon; Razide; Retozide; Rimicid; Rimifon; Rimiphone; Rimitsid; Robiselin; Robisellin; Roxifen; Sanohidrazina; Sauterazid; Sauterzid; Stanozide; Tebecid; Tebemid; Tebenic; Tebexin; Tebilon; Tebos; Teebaconin; Tekazin; Tibazide; Tibemid; Tibiazide; Tibinide; Tibison; Tibivis; Tibizide; Tibusan; Tisin; Tisiodrazida; Tizide; Tubazid; Tubazide; Tubeco; Tubecotubercid; Tubercid; Tuberian; Tubicon; Tubilysin; Tubizid; Tubomel; Tyvid; Unicocyde; Unicozyde; Vazadrine; Vederon; Zidafimia; Zinadon; Zonazide; Hid rasonil; Isoco tin; Isoniazid SA; Isozid e; Nidra zid; Rimif on; BP 5015; Bp 5 015; FSR 3; I0138; INHd20; L 1945; Nitebannsc 9659; Preparation 6424; RP 5015; AZT + Isoniazid; Cedin (Aerosol); Dow-Isoniazid; FRS-3; FSR-3; Ido-tebin; In-73; Inh-Burgthal; Isoniazid & EEP; Isoniazid & Propolis; Laniazid (TN); Neo-Tizide; Nydrazid (TN); RP-5015; TB-Phlogin; TB-Razide; TB-Vis; Usaf cb-2; I.A.I; RU-EF-Tb; RY-EF-Tb; I.A.I.	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6030	DB00951	DR00422	DR0886	137.14	C6H7N3O	68	120	-0.7	10	2	3	1	"1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)"	C1=CN=CC=C1C(=O)NN	QRXWMOHMRWLFEY-UHFFFAOYSA-N
DG00137	Gefitinib	123631	"Gefitini; IRE; Iressa; Irressat; Gefitinib [USAN]; ZD 1839; ZD1839; Iressa (TN); Iressa(TM); ZD-1839; CU-00000000396-1; Gefitinib,Iressa, ZD1839; Gefitinib (JAN/USAN/INN); ZD-1839, Iressa, Gefitinib; N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine; N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamide; N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine; N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine; N-(3-Chloro-4-fluoro-phenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine; 4-(3'-Chloro-4'-fluoroanilino)-7-methoxy-6-(3-morpholinopropoxy)quinazoline; 6-(3-morpholinopropoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:49668	DB00317	DR00423	DR0764	446.9	C22H24ClFN4O3	68.7	545	4.1	31	1	8	8	"1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)"	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N
DG00138	Camptothecin	24360	"Camptothecin; Camptothecine; 7689-03-4; (S)-(+)-Camptothecin; Campathecin; d-Camptothecin; (+)-Camptothecine; (+)-Camptothecin; 20(S)-Camptothecine; 21,22-Secocamptothecin-21-oic acid lactone; NSC94600; (S)-Camptothecin; Camptothecine (8CI); 20(S)-Camptothecin; Camptothecine (S,+); CHEMBL65; UNII-XT3Z54Z28A; MLS000766223; (4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; XT3Z54Z28A; CHEBI:27656; VSJKWCGYPAHWDS-FQEVSTJZSA-N; Camptothecin, Camptotheca acuminata; NSC-94600; Camptothecin derivat"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:27656	DB04690	DR01383	.	348.4	C20H16N2O4	79.7	742	1	26	1	5	1	"1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N
DG00139	Cefepime	5479537	"Axepim; CFPM; Cefepima; Cefepimum; Cepimax; Cepimex; Maxcef; Maxipime; Cefepima [Spanish]; Cefepimum [Latin]; BMY 28142; Axepim (TN); BMY-28142; Cefepime [USAN:INN]; Cepimax (TN); Cepimex (TN); Maxcef (TN); Maxipime (TN); Cefepime (USAN/INN); (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(1-methylpyrrolidinium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 1-(((6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-methylpyrrolidinium hydroxide, inner salt, 7(sup 2)-(Z)-(O-methyloxime); 7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(1-methylpyrrolidinium-1-yl)methyl]-3,4-didehydrocepham-4-carboxylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:478164	DB01413	DR00585	.	480.6	C19H24N6O5S2	204	869	-0.1	32	2	10	6	"1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1"	C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-]	HVFLCNVBZFFHBT-ZKDACBOMSA-N
DG00140	Propofol	4943	"Ampofol; Aquafol; Diisopropylphenol; Dipravan; Diprivan; Disoprivan; Disoprofol; Fresofol; Ivofol; PFL; Propofolum; Rapinovet; Recofol; Abbott Brand of Propofol; Alpha Brand of Propofol; Astra Brand of Propofol; AstraZeneca Brand of Propofol; Braun Brand of Propofol; Curamed Brand of Propofol; Diprivan Injectable emulsion; Fresenius Brand of Propofol; Fresenius Kabi Brand of Propofol; Juste Brand of Propofol; Parnell Brand of Propofol; Pisa Brand of Propofol; Propofol Abbott; Propofol Fresenius; Propofol MCT; Propofol Rovi; Propofolum [Latin]; Rovi Brand of Propofol; Schering Brand of Propofol; Zeneca Brand of Propofol; AM-149; DDS-04F; Diprivan (TN); Propofol IDD-D; Propofol-Lipuro; ZD-0859; Ghl.PD_Mitscher_leg0.558; Propofol [USAN:INN:BAN]; Propofol (JAN/USAN/INN); Propofol(2,6-Diisopropylphenol); 2, 6-Diisopropylphenol; 2,6 Diisopropylphenol; 2,6-Bis(1-methylethyl)phenol; 2,6-Bis(Isopropyl)-phenol; 2,6-DIISOPROPYLPHENOL; 2,6-Diisopropyl phenol; 2,6-Diisopropylphenol; 2,6-bis(1-methylethyl)-phenol; 2,6-di(propan-2-yl)phenol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:44915	DB00818	DR00424	DR1365	178.27	C12H18O	20.2	135	3.8	13	1	1	2	"1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3"	CC(C)C1=C(C(=CC=C1)C(C)C)O	OLBCVFGFOZPWHH-UHFFFAOYSA-N
DG00141	Abacavir	441300	"Trizivir; Ziagen; Abacavir [INN]; Abacavir (INN); Ziagen (TN); Ziagen (TM)(*Succinate salt*); [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol; {(1S-cis)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol; (+/-)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol; (+/-)-Abacavir; (1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol; ABC"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:421707	DB01048	DR00588	DR0027	286.33	C14H18N6O	102	414	0.9	21	3	6	4	"1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1"	C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO	MCGSCOLBFJQGHM-SCZZXKLOSA-N
DG00142	Trimethoprim	5578	Abaprim; Alprim; Anitrim; Antrima; Antrimox; Bacdan; Bacidal; Bacide; Bacin; Bacta; Bacterial; Bacticel; Bactin; Bactoprim; Bactramin; Bencole; Bethaprim; Biosulten; Briscotrim; Chemotrin; Cidal; Colizole; Conprim; Cotrimel; Deprim; Duocide; Esbesul; Espectrin; Euctrim; Exbesul; Fermagex; Fortrim; Futin; Idotrim; Ikaprim; Instalac; Kombinax; Lagatrim; Lastrim; Methoprim; Metoprim; Monoprim; Monotrim; Monotrimin; Novotrimel; Omstat; Oraprim; Pancidim; Polytrim; Priloprim; Primosept; Primsol; Proloprim; Protrin; Purbal; Resprim; Roubac; Roubal; Salvatrim; Setprin; Sinotrim; Stopan; Streptoplus; Sugaprim; Sulfamar; Sulfamethoprim; Sulfoxaprim; Sulmeprim; Sulthrim; Sultrex; Syraprim; Tiempe; Toprim; Trimanyl; Trimethioprim; Trimethoprime; Trimethoprimum; Trimethopriom; Trimetoprim; Trimetoprima; Trimexazole; Trimexol; Trimezol; Trimogal; Trimono; Trimopan; Trimpex; Triprim; Trisul; Trisulcom; Trisulfam; Trisural; Uretrim; Urobactrim; Utetrin; Velaten; Wellcoprim; Wellcoprin; Xeroprim; Zamboprim; Bacterial [Antibiotic]; Colizole DS; Component of Bactrim; Component of Septra; Lagatrim Forte; ResprimForte; Septrin DS; Septrin Forte; Septrin S; Trimetoprim [DCIT]; Trimetoprim [Polish]; BW 5672; KUC103659N; NIH 204; T 7883; Trimpex 200; WR 5949; Alcorim-F; Apo-Sulfatrim; BW 56-72; Co-Trimoxizole; Monotrim (TN); NIH 204 (VAN); Proloprim (TN); Smz-Tmp; Sulfamethoxazole & Trimethoprim; TCMDC-125538; Tmp-Ratiopharm; Trimeth/Sulfa; Trimethopim(TMP); Trimethoprim & VRC3375; Trimethoprime [INN-French]; Trimethoprimum [INN-Latin]; Trimetoprima [INN-Spanish]; Trimez-IFSA; Trimpex (TN); Triprim (TN); U-Prin; Uro-D S; BW-56-72; KSC-4-158; AZT + TMP/SMX (mixture) combination; Trimethoprim (JAN/USP/INN); Trimethoprim [USAN:BAN:INN:JAN]	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45924	DB00440	DR00590	DR1648	290.32	C14H18N4O3	106	307	0.9	21	2	7	5	"1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)"	COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N	IEDVJHCEMCRBQM-UHFFFAOYSA-N
DG00143	Cefotetan	53025	"Cefotetanum; Apatef (TN); Cefotan (TN); Cefotetan (JP15/USP/INN); (6R,7S)-7-(4-(carbamoylcarboxymethylene)-1,3-dithiethane-2-carboxamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7S)-7-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7S)-7-[[4-(1-amino-3-hydroxy-1,3-dioxopropan-2-ylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7beta-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3499	DB01330	DR01386	.	575.6	C17H17N7O8S4	321	1090	0.1	36	4	15	9	"1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/t13 ,15-,17+/m1/s1"	CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC)SC2)C(=O)O	SRZNHPXWXCNNDU-RHBCBLIFSA-N
DG00144	Imatinib	5291	Cgp 57148; Glamox; Glamox (TN); Gleevec (TN); Glivec (TN); Imatinib (INN); Imatinib (STI571); Imatinib Methansulfonate; Imatinib [INN:BAN]; 112GI019; 152459-95-5; BKJ8M8G5HI; CCRIS 9076; CGP-57148; CHEMBL941; Imatinib free base; STI; UNII-BKJ8M8G5HI	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45783	DB00619	DR00032	.	493.6	C29H31N7O	86.3	706	3.5	37	2	7	7	"1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)"	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N
DG00145	Apramycin	3081545	AC1O533Z; XZNUGFQTQHRASN-PHTOHMOASA-N	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:2790	DB04626	.	.	539.6	C21H41N5O11	284	760	-7	37	11	16	6	"1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-/m1/s1"	CN[C@H]1[C@H]([C@@H]2[C@H](C[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O[C@@H]1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)N)O)O)O	XZNUGFQTQHRASN-XQENGBIVSA-N
DG00146	Vancomycin	14969	"Vancomycin (oral, MRSA), AuricX; Vancomycin (oral/pill, MSRA); Vancomycin (oral/pill, MSRA), AuricX/SRI International"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28001	DB00512	.	DR2170	1449.2	C66H75Cl2N9O24	531	2960	-2.6	101	19	26	13	"1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1"	C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O	MYPYJXKWCTUITO-LYRMYLQWSA-N
DG00147	Ketoconazole	456201	"KCZ; KTZ; K 1003; R 41400; R41400; KS-1205; KW-1414; Perkhotal (TN); R 41,400; R-41400; R41,400; Ketoconazole [USAN:INN:BAN:JAN]; Nizoral, Extina, Xolegel, Kuric, Ketoconazole; Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-piperazine; Cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine; CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE; (+-)-cis-1-Acetyl-4-(p-((2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine; (+/-)-cis-1-Acetyl-4-(4-[(2-[2,4-dichlorophenyl]-2-[1H-imidazol-1-ylmethyl]-1,3-dioxolan-4-yl)-methoxy]phenyl)piperazine; (+/-)-cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine; 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone; 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:48336	DB01026	.	.	531.4	C26H28Cl2N4O4	69.1	735	4.3	36	0	6	7	"1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1"	CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl	XMAYWYJOQHXEEK-OZXSUGGESA-N
DG00148	Etoposide	36462	"Etoposide; 33419-42-0; VePesid; Toposar; trans-Etoposide; Lastet; (-)-Etoposide; Zuyeyidal; Etoposidum; Etoposido; Vepesid J; Eposin; Etoposidum [INN-Latin]; Etoposide (VP16); VP 16-213; VP 16 (pharmaceutical); Etoposido [INN-Spanish]; Etopophos (phosphate salt); VP-16-213; 4-Demethylepipodophyllotoxin beta-D-ethylideneglucoside; VP 16213; UNII-6PLQ3CP4P3; NK 171; NSC 141540; CCRIS 2392; HSDB 6517; 4'-Demethylepipodophyllotoxin 9-(4,6-O-(R)-ethylidene-beta-D-glucopyranoside); EINECS 251-509-1; NSC-141540; Eposide; Etopol; Etosid; Vepeside; Demethyl EpipodophyllotoxinEthylidine Glucoside; E0675; Demethyl-epiodophyllotoxin ethylidene glucoside; Epipodophyllotoxin VP-16213; Eposin (TN); Etopophos (TN); Trans-Etoposide; VePESID (TN); Vepesid (TN); DEMETHY-EPIPODOPHYLLOTOXIN, ETHYLIDENE GLUCOSIDE; VP-16 (TN); Demethylepipodophyllotoxin-beta-D-ethylideneglucoside; Etoposide (JP15/USP/INN); Etoposide [USAN:INN:BAN:JAN]; Eposin, Vepesid, VP-16, Toposar, Etoposide; Epipodophyllotoxin, 4'-demethyl-, 4,6-O-ethylidene-beta-D-glucopyranoside; Epipodophyllotoxin, 4'-demethyl-, 4,6-O-ethylidene-beta-D-glucopyranoside (8CI); Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-ethylidene-beta-D-glucopyranoside); 4'-Demethyl-epipodophyllotoxin 9-[4,6-O-(R)-ethylidene-beta-D-glucopyranoside; 4'-Demethylepipodophyllotoxin 9-(4,6-O-ethylidene-beta-D-glucopyranoside); 4'-Demethylepipodophyllotoxin ethylidene-beta-D-glucoside; 4'-O-Demethyl-1-O-(4,6-O-ethylidene-beta-D-glucopyranosyl)epipodophyllotoxin; 4-Demethylepipodophyllotoxin-beta-D-ethylideneglucoside"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4911	DB00773	DR00162	DR0669	588.6	C29H32O13	161	969	0.6	42	3	13	5	"1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1"	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N
DG00149	Chlorpheniramine	2725	"Allergican; Allergisan; Antagonate; Chloropheniramine; Chlorophenylpyridamin; Chlorophenylpyridamine; Chloropiril; Chloroprophenpyridamine; Chlorphenamine; Chlorphenaminum; Chlorpheniraminum; Chlorprophenpyridamine; Clofeniramina; Clorfenamina; Clorfeniramina; Cloropiril; Haynon; Hayon; Histadur; ISOCLOR; Kloromin; Phenetron; PiriIton; Piriton; Polaronil; Telachlor; Teldrin; Chlorphenamine [INN]; Clorfeniramina [Italian]; Pediacare Allergy Formula; [3H]Chlorpheniramine; Aller-Chlor; Chlo-amine; Chlor-Pro; Chlor-Trimeton Repetabs; Chlor-trimeton; Chlorphenamine (INN); Chlorphenaminum [INN-Latin]; Clofeniramina (TN); Clorfenamina [INN-Spanish]; Comakin (TN); Gen-Allerate; Novo-Pheniram; Piriton (TN); Chlor-Trimeton (TN); Chlor-Tripolon (TN); CHLORPHENIRAMINE (SEE ALSO: CHLORPHENIRAMINE MALEATE (CAS113-92-8)); Gamma-(4-Chlorophenyl)-gamma-(2-pyridyl)propyldimethylamine; Gamma-(4-Chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine; 1-(p-Chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpropylamine; 1-(p-Chlorophenyl)-1-(2-pyridyl)-3-dimethylaminopropane; 2-(p-Chloro-alpha-(2-(dimethylamino)ethyl)benzyl)pyridine; 3-(4-chlorophenyl)-N,N-dimethyl-3-(pyridin-2-yl)propan-1-amine; 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine; 3-(p-Chlorophenyl)-3-(2-pyridyl)-N,N-dimethylpropylamine; 4-Chloropheniramine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:52010	DB01114	.	DR0303	274.79	C16H19ClN2	16.1	249	3.4	19	0	2	5	"1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3"	CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2	SOYKEARSMXGVTM-UHFFFAOYSA-N
DG00150	Iprodione	37517	"IPRODIONE; 36734-19-7; Rovral; Glycophene; Glycophen; Promidione; Iprodial; Verisan; Kidan; Rovral flo; Rovral PM; Rovrol; Anfor; Rovral 50WP; Chipco 26019; 3-(3,5-Dichlorophenyl)-N-isopropyl-2,4-dioxoimidazolidine-1-carboxamide; NRC 910; LFA 2043; Iprodione [ANSI:BSI:ISO]; 3-(3,5-Dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide; Caswell No. 470A; Iprodine; ROP 500 F; MRC 910; UNII-S3AYV2A6EU; 26019 rp; RP 26019; FA 2071; 1-Imidazolidinecarboxamide, 3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-; HSDB 6855"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28909	DB00215	.	.	330.16	C13H13Cl2N3O3	69.7	448	3.1	21	1	3	2	"1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)"	CC(C)NC(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl	ONUFESLQCSAYKA-UHFFFAOYSA-N
DG00151	Paclitaxel	36314	"C47H51NO14; weekly paclitaxel; Micellar Paclitaxel; Paclitaxel [USAN:INN:BAN]; SCHEMBL15000506; Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS*),11alpha,12alpha,12aalpha,12balpha))-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45863	DB01229	DR00342	DR1227	853.9	C47H51NO14	221	1790	2.5	62	4	14	14	"1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N
DG00153	Temozolomide	5394	"Methazolastone; Temodal; Temodar; Temozolamide; Temozolodida; Temozolomidum; Essex brand of temozolomide; Scheringbrand of temozolomide; Temozolodida [Spanish]; Temozolomidum [Latin]; M B 39831; MB 39831; Sch 52365; M & B 39831; M&B 39831; M-39831; Sch-52365; Schering-Plough brand of temozolomide; TMZ-Bioshuttle; Temodal (TN); Temodar (TN); Temozolomide [INN:BAN]; M&B-39831; Temozolomide (JAN/USAN/INN); 3,4-Dihydro-3-methyl-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide; 3,4-Dihydro-3-methyl-4-oxoimidazo(5,1-d)-as-tetrazine-8-carboxamide; 3-Methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide; 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetraazine-8-carboxamide; 3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; 8-Carbamoyl-3-methylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one; TMZ"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:72564	DB00853	.	.	194.15	C6H6N6O2	106	315	-1.1	14	1	5	1	"1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)"	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N
DG00154	Epirubicin	41867	"Ellence; Epiadriamycin; Epidoxorubicin; Epirubicina; Epirubicine; Epirubicinum; Pidorubicin; Pidorubicina; Pidorubicine; Pidorubicinum; Ridorubicin; Epirubicina [Spanish]; Epirubicine [French]; Epirubicinum [Latin]; Pharmorubicin Pfs; IMI 28; WP 697; Ebewe (TN); Ellence (TN); Epi-DX; Epirubicin (INN); Epirubicin (TN); Epirubicin [INN:BAN]; Epirubicina [INN-Spanish]; Epirubicine [INN-French]; Epirubicinum [INN-Latin]; Farmorubicin (TN); Pharmorubicin (TN); Pidorubicina [INN-Spanish]; Pidorubicine [INN-French]; Pidorubicinum [INN-Latin]; (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-(methyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside; (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside; (7S,9R)-7-[(2S,4S,5R,6S)-4-Amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; 10-((3-amino-2,3,6-trideoxy-beta-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-(8S-cis)-5,12-naphthacenedione; 4'-Epi-DXR; 4'-Epiadriamycin; 4'-epi-DX; 4'-epi-Doxorubicin; 4'-epidoxorubicin; 4-Epidoxorubicin"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:47898	DB00445	DR00170	DR0591	543.5	C27H29NO11	206	977	1.3	39	6	12	5	"1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1"	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N
DG00156	Ceftobiprole	135413542	"BAL 9141; BAL 9141-000; BAL-9141; Ro 63-9141; Ro-63-9141; Ro-63-9141/000; (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitrosoacetyl]amino]-8-oxo-3-[(E)-[2-oxo-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:140407	DB04918	.	.	534.6	C20H22N8O6S2	257	1100	-2.4	36	5	13	6	"1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10,12,18,22,34H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/b8-5+,25-11-/t10-,12-,18-/m1/s1"	C1CNC[C@@H]1N2CC/C(=C\\C3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\\O)/C5=NSC(=N5)N)SC3)C(=O)O)/C2=O	VOAZJEPQLGBXGO-SDAWRPRTSA-N
DG00157	Telbivudine	159269	"Epavudine; LLT; LdT; Sebivo; Telbivudin; Tyzeka; Telbivudine [USAN]; LDT600; NB 02B; NV 02B; L-Deoxythymidine; L-Thymidine; L-dT; LDT-600; NV-02B; Tyzeka (TN); Beta-L-Thymidine; Telbivudine (USAN/INN); Tyzake/Sebivo (TN); Tyzeka, Sebivo, Telbivudine; 1-(2-Deoxy-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione; 1-(2-Deoxy-beta-L-erythropentafuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione; 1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione; 2'-Deoxy-L-thymidine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63624	DB01265	.	.	242.23	C10H14N2O5	99.1	381	-1.2	17	3	5	2	"1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1"	CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O	IQFYYKKMVGJFEH-CSMHCCOUSA-N
DG00158	Loperamide	3955	Ioperamide; Loperacap; Loperamida; Loperamidum; Kaopectate II; Loperamide Monohydrochloride; Pepto Diarrhea Control; Apo-Loperamide; Diamide (TN); Diarr-Eze; Dimor (TN); Imodium (TN); Imodium A-D Caplets; Loperamida [INN-Spanish]; Loperamide (INN); Loperamide [INN:BAN]; Loperamidum [INN-Latin]; Lopex (TN); Maalox Anti-Diarrheal; Nu-Loperamide; PMS-Loperamide; Pepto (TN); R-18553; Rho-Loperamide	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6532	DB00836	DR00171	.	477	C29H33ClN2O2	43.8	623	5	34	1	3	7	"1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3"	CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4	RDOIQAHITMMDAJ-UHFFFAOYSA-N
DG00159	Cyclophosphamide	2907	"ASTA; Ciclofosfamida; Ciclophosphamide; Clafen; Claphene; Cycloblastin; Cyclophosphamid; Cyclophosphamides; Cyclophosphamidum; Cyclophosphan; Cyclophosphane; Cyclophosphanum; Cyclophosphoramide; Cyclostin; Cyklofosfamid; Cytophosphan; Cytophosphane; Cytoxan; Endoxan; Endoxana; Endoxanal; Endoxane; Enduxan; Genoxal; Mitoxan; Neosar; Procytox; Revimmune; Semdoxan; Sendoxan; Senduxan; Zyklophosphamid; Ciclophosphamide [INN]; Cyclophosphamide Sterile; Cyclophosphamide anhydrous; Cyklofosfamid [Czech]; Cytoxan Lyoph; Endoxan R; Lyophilized Cytoxan; Zyklophosphamid [German]; ASTA B518; Asta B 518; B 518; C 0768; CB 4564; SK 20501; B-518; CB-4564; Ciclofosfamida [INN-Spanish]; Cyclophosphamide (INN); Cyclophosphamide (TN); Cyclophosphamide (anhydrous form); Cyclophosphamide (anhydrous); Cyclophosphamidum [INN-Latin]; Cytoxan (TN); Endoxan (TN); Endoxan-Asta; Neosar (TN); Occupation, cyclophosphamide exposure; Procytox (TN); Revimmune (TN); Bis(2-Chloroethyl)phosphami de cyclic propanolamide; Bis(2-Chloroethyl)phosphamide cyclic propanolamide ester; Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester; D,L-Cyclophosphamide; Cyclophosphamide, (+-)-Isomer; N,N-Bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide; (+-)-Cyclophosphamide; (-)-Cyclophosphamide; (RS)-Cyclophosphamide; 1-(bis(2-chloroethyl)amino)-1-oxo-2-aza-5-oxaphosphoridine; 1-Bis(2-chloroethyl)amino-1-oxo-2-aza-5-oxaphosphoridin; 4-Hydroxy-cyclophosphan-mamophosphatide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4027	DB00531	DR00425	DR0391	261.08	C7H15Cl2N2O2P	41.6	212	0.6	14	1	4	5	"1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)"	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N
DG00161	Epothilone B	448013	"Epothilone B; Patupilone; 152044-54-7; (-)-Epothilone B; Epo B; EpoB; EPO906; EPO 906; UNII-UEC0H0URSE; EPO 906A; GNF-PF-193; CHEBI:31550; UEC0H0URSE; AK163080; Epothilone B (EPO906, Patupilone); 7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE; Epothilon B; Patupilone [INN]; (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31550	DB03010	.	DR1795	507.7	C27H41NO6S	138	816	4.2	35	2	8	2	"1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1"	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N
DG00162	Haloperidol	3559	Aldo; Aloperidin; Aloperidol; Aloperidolo; Aloperidon; Bioperidolo; Brotopon; Dozic; Dozix; Eukystol; Fortunan; Galoperidol; Haldol; Halidol; Halojust; Halol; Halopal; Haloperido; Haloperidolum; Halopidol; Halopoidol; Halosten; Keselan; Linton; Mixidol; Pekuces; Peluces; Peridol; Pernox; Serenace; Serenase; Serenelfi; Sernas; Sernel; Sigaperidol; Ulcolind; Uliolind; Vesalium; Aloperidolo [DCIT]; Aloperidolo [Italian]; Einalon S; Haldol La; Haldol Solutab; Lealgin compositum; Pms Haloperidol; H 1512; R 1625; Aloperidin (TN); Apo-Haloperidol; Bioperidolo (TN); Brotopon (TN); Dozic (TN); Duraperidol (TN); Einalon S (TN); Eukystol (TN); Haldol (TN); Haloperidolum [INN-Latin]; Halosten (TN); Keselan (TN); Linton (TN);Novo-Peridol; Peluces (TN); R-1625; Serenace (TN); Serenase (TN); Sigaperidol (TN); Haloperidol (JP15/USP); McN-JR-1625; Haloperidol (JP15/USP/INN); Haloperidol [USAN:INN:BAN:JAN]	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5613	DB00502	DR00426	.	375.9	C21H23ClFNO2	40.5	451	3.2	26	1	4	6	"1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2"	C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F	LNEPOXFFQSENCJ-UHFFFAOYSA-N
DG00163	Cefotaxime	5742673	Cefotaxim; Cefotaxima; Cefotaximum; Cephotaxim; Cephotaxime; Claforan; Klaforan; Cefotaxim Hikma; Cefotaxime acid; CE3; RU 24662; Cefotaxim Hikma (TN); Cefotaxima [INN-Spanish]; Cefotaxime (INN); Cefotaxime [INN:BAN]; Cefotaximum [INN-Latin]; Claforan (TN); Ru-24756; Claforan (*Sodium salt*)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:204928	DB00493	.	DR2226	455.5	C16H17N5O7S2	227	833	-1.4	30	3	12	8	"1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1"	CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\\OC)/C3=CSC(=N3)N)SC1)C(=O)O	GPRBEKHLDVQUJE-QSWIMTSFSA-N
DG00164	Prednisolone	5755	"Nanocort; Prednisolone (injectable liposome formulation, rheumatoid arthritis); Prednisolone (injectable liposome formulation, rheumatoid arthritis), Enceladus; Prednisolone (injectable liposome formulation, rheumatoid arthritis), Galapagos"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8378	DB00860	DR00428	DR1332	360.4	C21H28O5	94.8	724	1.6	26	3	5	2	"1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1"	C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O	OIGNJSKKLXVSLS-VWUMJDOOSA-N
DG00165	Metformin	4091	"657-24-9; 1,1-Dimethylbiguanide; N,N-dimethylimidodicarbonimidic diamide; Metiguanide; Dimethylbiguanide; Glucophage; Haurymelin; Gliguanid; Fluamine; Glumetza; Flumamine; Melbin; Diabex; N,N-Dimethylbiguanide; Metformina; Metforminum; Metformine; Islotin; Glifage; Siofor; N1,N1-Dimethylbiguanide; DMGG; NNDG; Dimethyldiguanide; N,N-Dimethyldiguanide; Metformina [DCIT]; Imidodicarbonimidic diamide, N,N-dimethyl-; Metformina [Spanish]; Metforminum [INN-Latin]; Metformine [INN-French]; Metformin [USAN:INN:BAN]; 1,1-Dimethyl; Diabetosan; Dimethylbiguanidine; Dimethylguanylguanidine; Glycon; Diabex (TN); Diaformin (TN); Dianben (TN); Fortamet (TN); Gen-Metformin; Glucophage (TN); Glumetza (TN); LA-6023; Nu-Metformin; Obimet (TN); Riomet (TN); Metformin (USAN/INN); 1,1-Dimethyl biguanide; 3-(diaminomethylidene)-1,1-dimethylguanidine; [14C]metformin"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6801	DB00331	DR00133	.	129.16	C4H11N5	91.5	132	-1.3	9	3	1	2	"1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)"	CN(C)C(=N)N=C(N)N	XZWYZXLIPXDOLR-UHFFFAOYSA-N
DG00166	Tenofovir	464205	"Apropovir; PMPA; TFV; Tenefovir; GS 1275; GS 1278; GS1278; GNA & Tenofovir; HHA & Tenofovir; KS-5021; Viread (TN); Viread, Tenofovir; D,L-Tenofovir; PMPA-(R); Phosphonic acid, [[2-(6-amino-9H-purin-9; [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid; Phosphonic acid, [[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-(9CI); Phosphonic acid, [[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-& Galanthus nivalis agglutinin (GNA); Phosphonic acid, [[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-& Hippeastrum hybrid agglutinin(HHA); (R)-9-(2-Phosphonomethoxypropyl)adenine; (R)-9-(2-Phosphonylmethoxypropyl)adenine; (R)-PMPA"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63625	DB14126	DR00174	.	287.21	C9H14N5O4P	136	354	-1.6	19	3	8	5	"1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1"	C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O	SGOIRFVFHAKUTI-ZCFIWIBFSA-N
DG00167	Pyronaridine	107771	"Malaridine; Pyronaridine phosphate salt; Benzonaphthyridine 7351; 2-Methoxy-7-chloro-10-(3',5'-bis(pyrrolin-1-ylmethyl)-4'-hydroxyphenylamino)benzo(b)-1,5-naphthyridine; 4-((7-Chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)amino)-2,6-bis(1-pyrrolidinylmethyl)phenol; 4-[(7-chloro-2-methoxy-1,5-dihydrobenzo[b][1,5]naphthyridin-10-yl)imino]-2,6-bis(pyrrolidin-1-ylmethyl)cyclohexa-2,5-dien-1-one; 4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135951	DB12975	.	.	518	C29H32ClN5O2	73.8	707	5.3	37	2	7	7	"1S/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32)"	COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC(=C(C(=C4)CN5CCCC5)O)CN6CCCC6	DJUFPMUQJKWIJB-UHFFFAOYSA-N
DG00168	Fentanyl	3345	"Fentanyl; Fentanil; Phentanyl; Fentora; Sublimaze; Fentanila; Fentanest; Duragesic; Fentanylum; Durogesic; Sentonil; 437-38-7; Duragesic-100; IONSYS; Duragesic-25; Duragesic-75; Duragesic-50; Duragesic-12; Fentanyl-25; Fentanyl-75; Fentanyl-12; Fentanyl-50; Fentanylum [INN-Latin]; Fentanila [INN-Spanish]; Fentanyl-100; 1-Phenethyl-4-N-propionylanilinopiperidine; Matrifen; Sublimase; N-(1-Phenethylpiperidin-4-yl)-N-phenylpropionamide; N-(1-Phenethyl-4-piperidyl)propionanilide; N-Phenethyl-4-(N-propionylanilino)piperidine; Fentanil [DCIT]; Subsys; Fentanyl-37; Fentanyl-62; Fentanyl-87; Abstral; Actiq; Lazanda; Onsolis; Fentanyl Citrate; Fentanyl Citrate Preservative Free; Sublimaze Preservative Free; fentanyl (transmucosal film, pain), Auxilium Pharmaceuticals"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:119915	DB00813	DR00430	.	336.5	C22H28N2O	23.6	391	4	25	0	2	6	"1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3"	CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3	PJMPHNIQZUBGLI-UHFFFAOYSA-N
DG00169	Quinupristin	5388937	"Quinupristina; Quinupristine; Quinupristinum; SYB; RP 57669; Quinupristin [USAN:INN]; Quinupristina [INN-Spanish]; Quinupristine [INN-French]; Quinupristinum [INN-Latin]; RP-57669; Synercid (TN); Quinupristin (JAN/USAN/INN); 4-[4-(DIMETHYLAMINO)-N-METHYL-L-PHENYLALANINE]-5-[(2S,5R)-5-[[[(3S)-1-AZABICYCLO-[2.2.2]OCT-3-YL]THIO]METHYL]-4-OXO-2-PIPERIDINECARBOXYLIC ACID]VIRGINIAMYCIN; 5delta-(3-quinuclidinyl)thiomethylpristinamycin IA"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01369	.	.	1022.2	C53H67N9O10S	257	2010	4.2	73	4	14	10	"1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35+,37-,38+,39+,40+,43-,44+,45+/m1/s1"	CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3C[C@H](C(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CS[C@@H]6CN7CCC6CC7)CC8=CC=C(C=C8)N(C)C)C	WTHRRGMBUAHGNI-LCYNINFDSA-N
DG00170	Cefditoren	9870843	"Cefditoren [USAN:INN]; Meiact (TN); Spectracef (TN); (+)-(6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-3-((Z)-2-(4-methyl-5-thiazolyl)vinyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7(sup 2)-(Z)-(O-methyloxime); (6R-(3(Z),6alpha,7beta(Z)))-7-((2-Amino-4-thiazolyl)(methoxyimino)acetyl)amino-3-(2-(4-methyl-5-thiazolyl)ethenyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:59343	DB01066	DR01394	.	506.6	C19H18N6O5S3	242	928	0.7	33	3	12	7	"1S/C19H18N6O5S3/c1-8-11(33-7-21-8)4-3-9-5-31-17-13(16(27)25(17)14(9)18(28)29)23-15(26)12(24-30-2)10-6-32-19(20)22-10/h3-4,6-7,13,17H,5H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29)/b4-3-,24-12-/t13-,17-/m1/s1"	CC1=C(SC=N1)/C=C\\C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\\OC)/C4=CSC(=N4)N)SC2)C(=O)O	KMIPKYQIOVAHOP-YLGJWRNMSA-N
DG00171	Platinum	23939	"Precision tolerogens (autoimmune disease), NaniRx"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:33364	DB12257	.	.	195.08	Pt	0	0	.	1	0	0	0	1S/Pt	[Pt]	BASFCYQUMIYNBI-UHFFFAOYSA-N
DG00173	Plazomicin	42613186	"ACHN-490; UNII-LYO9XZ250J; 1154757-24-0; LYO9XZ250J; Plazomicin [USAN:INN]; Plazomicin (USAN); ZINC68150640; DB12615; D10151; D-Streptamine,"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12615	.	DR2136	592.7	C25H48N6O10	269	873	-6.2	41	11	15	13	"1S/C25H48N6O10/c1-25(37)11-38-24(18(35)21(25)29-2)41-20-15(31-22(36)16(33)5-6-26)9-14(28)19(17(20)34)40-23-13(27)4-3-12(39-23)10-30-7-8-32/h3,13-21,23-24,29-30,32-35,37H,4-11,26-28H2,1-2H3,(H,31,36)/t13-,14+,15-,16+,17+,18-,19-,20+,21-,23-,24-,25+/m1/s1"	C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CNCCO)N)N)NC(=O)[C@H](CCN)O)O	IYDYFVUFSPQPPV-PEXOCOHZSA-N
DG00174	Dasatinib	3062316	"Sprycel (TN); BMS 354825; BMS-354825; BMS-354825, Sprycel, BMS354825, Dasatinib; BMS354825; Dasatinib (USAN); Dasatinib [USAN]; Dasatinib anhydrous; Dasatinib, BMS 354825; Dasatinibum; Sprycel; Spyrcel"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:49375	DB01254	DR00182	DR0423	488	C22H26ClN7O2S	135	642	3.6	33	3	9	7	"1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)"	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N
DG00175	Capreomycin	3000502	"Capreomycin Sulfate Standard; Capreomycin sulphate; Caprocin (Disulfate); Ogostal (Disulfate); (3S)-3,6-diamino-N-[[(2S,5S,8E,11S,15S)-15-amino-11-[(6R)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-8-[(carbamoylamino)methylidene]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide; (3S)-3,6-diamino-N-[[(2S,5S,8E,11S,15S)-15-amino-11-[(6R)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-8-[(carbamoylamino)methylidene]-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00314	.	.	1321.4	C50H88N28O15	737	2470	.	93	27	23	19	"1S/C25H44N14O8.C25H44N14O7/c26-4-1-2-11(27)6-17(41)32-8-14-20(43)35-15(9-34-25(30)47)21(44)39-18(13-3-5-31-24(29)38-13)23(46)33-7-12(28)19(42)37-16(10-40)22(45)36-14;1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11/h9,11-14,16,18,40H,1-8,10,26-28H2,(H,32,41)(H,33,46)(H,35,43)(H,36,45)(H,37,42)(H,39,44)(H3,29,31,38)(H3,30,34,47);10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46)/b15-9+;16-10+/t11-,12-,13+,14-,16-,18-;11-,12-,13-,14+,15-,18-/m00/s1"	C[C@H]1C(=O)N[C@H](C(=O)N/C(=C/NC(=O)N)/C(=O)N[C@H](C(=O)NC[C@@H](C(=O)N1)N)[C@H]2CCN=C(N2)N)CNC(=O)C[C@H](CCCN)N.C1CN=C(N[C@H]1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C/NC(=O)N)/C(=O)N2)CNC(=O)C[C@H](CCCN)N)CO)N)N	VCOPTHOUUNAYKQ-WBTCAYNUSA-N
DG00176	Vorinostat	5311	"NHNPODA; SAHA; SHH; Zolinza; Merck brand of Vorinostat; OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE; SAHA cpd; Suberanilohydroxamic acid; Suberoylanilide hydroxamic acid; Vorinostat MSD; Vorinostat [USAN]; M344; MK0683; SKI390; WIN64652; MK-0683; SAHA, Suberoylanilide hydroxamic acid; SW-064652; Zolinza (TN); Vorinostat (JAN/USAN); N1-hydroxy-N8-phenyloctanediamide; Zolinza, MK-0683, SAHA; N'-hydroxy-N-phenyloctanediamide; N-Hydroxy-N'-phenyl octanediamide; N-Hyrdroxy-N'-phenyloctanediamide; N-hydroxy-N'-phenyloctanediamide; N-hydroxy-N'-phenyl-octane-1,8-diotic acid diamide; Vorinostat (HDAC inhibitor)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45716	DB02546	DR00769	DR1710	264.32	C14H20N2O3	78.4	276	1.9	19	3	3	8	"1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)"	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N
DG00177	Temsirolimus	6918289	Torisel	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:79699	DB06287	DR00432	DR1548	1030.3	C56H87NO16	242	2010	5.6	73	4	16	11	"1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1"	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N
DG00178	Tipranavir	54682461	"Aptivus; TPV; PNU 140690; U 140690; Aptivus (Boehringer Ingelheim); Aptivus (TN); Aptivus(TM); PNU-140690; PNU-140690E; Tipranavir (INN); U-140690; N-[3-[(1R)-1-[(2R)-6-hydroxy-4-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide; N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63628	DB00932	.	DR1601	602.7	C31H33F3N2O5S	114	1050	7	42	2	10	11	"1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1"	CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)O)CCC4=CC=CC=C4	SUJUHGSWHZTSEU-FYBSXPHGSA-N
DG00179	Fludarabine	657237	"FaraA; Fludarabina; Fludarabinum; Fluradosa; Fludarabina [Spanish]; Fludarabine [INN]; Fludarabinum [Latin]; SQ Fludarabine; Fludara, Fludarabine; Fludarabine (INN); Fluradosa (TN); F-Ara-A; (2R,3S,4S,5R)-2-(6-amino-2-fluoro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; (2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 2-F-ara-A; 2-Fluoro Ara-A; 2-Fluoro-9-beta-D-arabinofuranosyladenine; 9-beta-D-Arabinofuranosyl-2-fluoroadenine; 9-beta-D-arabinofuranosyl-2-fluoro-9H-purin-6-amine; 9H-Purin-6-amine, 9-beta-D-arabinofuranosyl-2-fluoro-(9CI)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94701	DB01073	DR00434	.	285.23	C10H12FN5O4	140	367	-0.6	20	4	9	2	"1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1"	C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)F)N	HBUBKKRHXORPQB-FJFJXFQQSA-N
DG00180	Aztreonam	5742832	"Azactam; Primbactam; Azactam (TN); SQ-26776; Monobactam, SQ 26776, Squibb 26776, Aztreonam; [2S-[2alpha,3beta(Z)]]-2-[[[1-(2-Amino-4-thiazolyl)-2-[(2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino]-2-oxoethylidene]amino]oxy]-2-methylpropanoic acid; 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid; 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:161680	DB00355	.	DR0169	435.4	C13H17N5O8S2	238	808	0.3	28	4	12	7	"1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1"	C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)NC(=O)/C(=N\\OC(C)(C)C(=O)O)/C2=CSC(=N2)N	WZPBZJONDBGPKJ-VEHQQRBSSA-N
DG00181	Fosamprenavir	131536	"Telzir; Amprenavir phosphate; Fosamprenavir [INN]; GW 433908; GW433908; VX 175; Fosamprenavir (INN); Lexiva (TM); Lexiva (TN); Telzir (TN); Telzir(TM); VX-175; GW433908A (*Sodium Salt*); GW433908G (*Calcium Salt*); [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate; Carbamic acid, ((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-1-(phenylmethyl)-2-(phosphonooxy)propyl)-, C-((3S)-tetrahydro-3-furanyl) ester; ((3S)Oxolan-3-yloxy)-N-((1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-1-benzyl-2-(phosphonooxy)propyl)carboxamide; (3-(((4-Aminophenyl)sulfonyl)(2-methylpropyl)amino)-1-(phenylmethyl)-2-(phosphonooxy)propyl)carbamic acid C-(tetrahydro-3-furanyl) ester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:82941	DB01319	DR01274	DR0745	585.6	C25H36N3O9PS	186	912	1.8	39	4	11	14	"1S/C25H36N3O9PS/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32)/t21-,23-,24+/m0/s1"	CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)OP(=O)(O)O)S(=O)(=O)C3=CC=C(C=C3)N	MLBVMOWEQCZNCC-OEMFJLHTSA-N
DG00182	Spiramycin	6419898	"Spiramycin; 8025-81-8; ST075006; Spiramycinum; Spiramycine; Provamycin; Sequamycin; Espiramicin; Rovamycin; Antibiotic 799; NSC-64393; RP 5337; Rovamycine; Prestwick_121; 5337 R.P.; Prestwick2_000745; Prestwick3_000745; AC1O4WG0; Spiramycin antibiotic complex; BPBio1_000804; SCHEMBL5032756; AKOS015896378; K430; SR-01000872632; SR-01000872632-1; I06-1973; Spiramycin, European Pharmacopoeia (EP) Reference Standard; Spiramycin from Streptomyces sp., VETRANAL(TM), analytical standard; Spiramycin, Pharmaceutical Secondary Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB06145	.	.	843.1	C43H74N2O14	195	1370	2.1	59	4	16	11	"1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26 ,27 ,28 ,29+,30 ,31-,32+,34 ,35 ,36 ,37 ,38 ,39+,40+,41 ,42 ,43 /m1/s1"	C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C	ACTOXUHEUCPTEW-JMRHEKERSA-N
DG00183	Amoxicillin	33613	"AMPC; Actimoxi; Amoclen; Amolin; Amopen; Amopenixin; Amoxi; Amoxibiotic; Amoxicaps; Amoxicilina; Amoxicillanyl; Amoxicilline; Amoxicillinum; Amoxiden; Amoxil; Amoxivet; Amoxycillin; Anemolin; Aspenil; Biomox; Bristamox; Cemoxin; Clamoxyl; Delacillin; DisperMox; Efpenix; Flemoxin; Hiconcil; Histocillin; Hydroxyampicillin; Ibiamox; Imacillin; Lamoxy; Larotid; Moxacin; Moxal; Moxatag; Ospamox; Pamoxicillin; Piramox; Polymox; Robamox; Sumox; Tolodina; Trimox; Unicillin; Utimox; Vetramox; Wymox; AMOXICILLIN CRYSTALLINE; AMOXICILLIN PEDIATRIC; Amoxicillin anhydrous; Amoxicilline [INN]; Amoxycillin Trihydrate; Metafarma capsules; Metifarma capsules; Sawamox PM; BLP 1410; AMK (TN); Actimoxi (TN); Alphamox (TN); Amoksibos (TN); Amoksiklav (TN); Amoxi-Mast; Amoxibiotic (TN); Amoxicilina (TN); Amoxicilina [INN-Spanish]; Amoxicillin (INN); Amoxicillin (TN); Amoxicillin (anhydrous); Amoxicilline [INN-French]; Amoxicillinum [INN-Latin]; Amoxiclav (TN); Amoxidal (TN); Amoxil (TN); Amoxin (TN); Apo-Amoxi; Augmentin (TN); BL-P 1410; BRL-2333; Bactox (TN); Betalaktam (TN); Cilamox (TN); Clamoxyl (TN); Curam (TN); D-Amoxicillin; Dedoxil (TN); Dispermox (TN); Duomox (TN); Enhancin (TN); Geramox (TN); Gimalxina (TN); Hiconcil (TN); Isimoxin (TN); Klavox (TN); Lamoxy (TN); Moxatag (TN); Moxilen (TN); Moxypen (TN); Moxyvit (TN); Nobactam (TN); Novamoxin (TN); Ospamox (TN); P-Hydroxyampicillin; Pamoxicillin (TN); Panamox (TN); Panklav (TN); Polymox (TN); Ro 10-8756; Samthongcillin (TN); Sandoz (TN); Senox (TN); Sinacilin (TN); Tolodina (TN); Trimox (TN); Wymox (TN); Yucla (TN); Zerrsox (TN); Zimox (TN); Apo-Amoxi (TN); Alpha-Amino-p-hydroxybenzylpenicillin; D-2-Amino-2-(4-hydroxyphenyl)acetamidopenicillanic acid; D-(-)-alpha-Amino-p-hydroxybenzylpenicillin; (-)-6-(2-Amino-2-(P-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo-(3.2.0)heptane-2-carboxylic acid; (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2-amino-2-(p-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-, D-(8CI); 6-(D-(-)-alpha-Amino-p-hydroxyphenylacetamido)penicillanic acid; 6-(D-(-)-p-Hydroxy-alpha-aminobenzyl)penicillin; 6-(p-Hydroxy-alpha-aminophenylacetamido)penicillanic acid; 6beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carbonyl; 6beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2676	DB01060	DR00190	DR0104	365.4	C16H19N3O5S	158	590	-2	25	4	7	4	"1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C	LSQZJLSUYDQPKJ-NJBDSQKTSA-N
DG00184	Cephaloridine	5773	Cephaloridine; cefaloridine; Cefaloridin; Cephaloridin; Cephaloridinum; Cepaloridin; Cefalorizin; Cephalomycine; Cefaloridinum; Cepalorin; Cefaloridina; Loridine; Ceflorin; 50-59-9; Kefloridin; Glaxoridin; Ceporin; Vioviantine; Intrasporin; Sefacin; Keflordin; Deflorin; Cilifor; Ceporan; Sasperin; Faredina; Ceporine; Keflodin; Verolgin; Lloncefal; Kefspor; Ampligram; Betaine cephaloridine; CHEBI:3537; UNII-LVZ1VC61HB; Cefaloridinum [INN-Latin]; Cefaloridina [INN-Spanish]; N-(7-(2'-Thienylacetamidoceph-3-ylmethyl))-pyridinium-2-carboxylate; SCH 	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3537	DB09008	DR00612	DR0285	415.5	C19H17N3O4S2	147	687	1.9	28	1	6	5	"1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1"	C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=CC=C4	CZTQZXZIADLWOZ-CRAIPNDOSA-N
DG00185	Anidulafungin	166548	Ecalta; Eraxis; Anidulafungin [USAN:INN]; Ecalta (TN); Eraxis (TN); LY-303366; V-Echinocandin; VER-002	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:55346	DB00362	.	.	1140.2	C58H73N7O17	377	2150	2.3	82	14	17	14	"1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1"	CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC=C(C=C7)O)O)O)[C@@H](C)O)C)O)O)O	JHVAMHSQVVQIOT-MFAJLEFUSA-N
DG00186	Rifampin	135398735	"Abrifam; Archidyn; Arficin; Arzide; Benemicin; Benemycin; Dipicin; Doloresum; Eremfat; Famcin; Fenampicin; RFP; RMP; Ramp; Rifa; Rifadin; Rifadine; Rifagen; Rifaldazin; Rifaldazine; Rifaldin; Rifam; Rifamor; Rifampicin; Rifampicina; Rifampicine; Rifampicinum; Rifamsolin; Rifaprodin; Rifcin; Rifinah; Rifobac; Rifoldin; Rifoldine; Riforal; Rimactan; Rimactane; Rimactazid; Rimactizid; Rimazid; Rimycin; Sinerdol; Tubocin; Rifamicin AMP; Rifampicin SV; Rifampicine [French]; Rifampin [USAN]; Rifamycin AMP; Ba 41166; AZT + Rifampin; BA-41166E; Ba 41166/E; DRG-0109; Dione 21-acetate; L-5103; L-5103 Lepetit; Piperine & Rifampicin; R-Cin; R/AMP; Reserpine & Rifampicin; Rifadin (TN); Rifadin I.V; Rifampicin & EEP; Rifampicin & Propolis; Rifampicina [INN-Spanish]; Rifampicinum [INN-Latin]; Rifampin (USP); Rimactan (TN); Rimactane (TN); Rimycin (TN); Sinerdol (TN); Tubocin (TN); Rifadin I.V.; Rifampicin (JP15/INN); Rifampicin[INN:BAN:JAN]; Rifadin, Rimactane, Rifampicin, Rifampin; 1-b]furan-21-yl acetate; 3-(((4-Methyl-1-piperazinyl)imino)-methyl)rifamycin; 3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV; 3-(4-Methylpiperazinyliminomethyl)-rifamycin SV; 3-(4-Methylpiperazinyliminomethyl)rifamycin SV; 3-([(4-Methyl-1-piperazinyl)imino]methyl)rifamycin SV; 3-[(4-Methyl-1-piperazinyl)iminomethyl]rifamycin SV; 3-[[(4-Methyl-1-piperazinyl)imino]-methyl]rifamycin; 8-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV; 8-(4-Methylpiperazinyliminomethyl) rifamycin SV; 8-[[(4-Methyl-1-piperazinyl)imino[methyl]rifamycin; 8-[[(4-Methyl-1-piperazinyl)imino]methyl]rifamycin sv; 8-[[(4-Methylpiperazinyl)imino]methyl]rifamycin sv; 8CI)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28077	DB01045	DR00196	DR1420	822.9	C43H58N4O12	220	1620	4.9	59	6	15	5	"1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1"	C[C@H]1/C=C/C=C(\\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C)/C	JQXXHWHPUNPDRT-WLSIYKJHSA-N
DG00187	Tigecycline	54686904	"Tigilcycline; Tygacil; Tigecycline [USAN]; GAR 936; GAR-936; TBG-MINO; Tygacil (TN); Tygacil(TM); GAR-936,Tigecycline; Tigecycline (JAN/USAN); WAY-GAR-936; Tygacil, GAR-936, WAY-GAR-936, TBG-MINO, Tigecycline; N-[(5aR,6aS,7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-2-(tert-butylamino)acetamide; (4S,12aS)-4,7-Bis(dimethylamino)-9-{2-[(tert-butyl)amino]acetylamino}-3,10,12,12a-tetrahydroxy-1,11-dioxo-4,5,6,12a,4a,5a-hexahydronaphthacene-2-carboxamide; (4S,4aS,5aR,12aS)-9-(2-(tert-butylamino)acetamido)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide; (4S,4aS,5aR,12aS)-9-[(N-tert-butylglycyl)amino]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide; 9-t-Butylglycylamido minocycline"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:149836	DB00560	.	.	585.6	C29H39N5O8	206	1240	1.1	42	7	11	7	"1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36-37,40,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1"	CC(C)(C)NCC(=O)NC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)C(=C([C@]4(C(=O)C3=C(C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C	SOVUOXKZCCAWOJ-HJYUBDRYSA-N
DG00188	Thiostrepton	16129666	"Thiostrepton; Thiostrepton from Streptomyces azureus; Bryamycin; Thiactin; Alaninamide,; 1393-48-2; NSC81722; NSC170365; NSC 81722; NSC 170365; CHEMBL1981887; CHEBI:94340; MolPort-003-939-599; NSC-81722; NSC-170365; NCGC00485235-01; Thiostrepton from Streptomyces azureus, &gt"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB11467	.	.	1664.9	C72H85N19O18S5	701	3940	0.6	114	17	31	12	"1S/C72H85N19O18S5/c1-14-26(3)47-63(105)78-30(7)57(99)75-28(5)56(98)76-31(8)58(100)91-72-19-18-40(66-85-43(22-111-66)59(101)77-29(6)55(97)74-27(4)54(73)96)81-52(72)42-21-112-67(83-42)49(34(11)109-69(107)41-20-37(32(9)92)36-16-17-39(79-47)51(95)50(36)80-41)89-60(102)44-24-113-68(86-44)53(71(13,108)35(12)94)90-62(104)45-23-110-65(84-45)38(15-2)82-64(106)48(33(10)93)88-61(103)46-25-114-70(72)87-46/h15-17,20-22,24-26,30-35,39,45,47-49,51-53,79,92-95,108H,4-6,14,18-19,23H2,1-3,7-13H3,(H2,73,96)(H,74,97)(H,75,99)(H,76,98)(H,77,101)(H,78,105)(H,82,106)(H,88,103)(H,89,102)(H,90,104)(H,91,100)/b38-15+"	CCC(C)C1C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)NC23CCC(=NC2C4=CSC(=N4)C(C(OC(=O)C5=NC6=C(C=CC(C6O)N1)C(=C5)C(C)O)C)NC(=O)C7=CSC(=N7)C(NC(=O)C8CSC(=N8)/C(=C\\C)/NC(=O)C(NC(=O)C9=CSC3=N9)C(C)O)C(C)(C(C)O)O)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C)C	NSFFHOGKXHRQEW-DVRIZHICSA-N
DG00189	Cyclosporin A	5284373	Cyclosporin A; cyclosporine; Neoral; Cyclosporin; Ciclosporine; Sandimmun; Sang-35	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4031	DB00091	DR00448	DR0321	1202.6	C62H111N11O12	279	2330	7.5	85	5	12	15	"1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1"	CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C	PMATZTZNYRCHOR-CGLBZJNRSA-N
DG00190	Rifapentine	135403821	"RIFAPENTINE; Rifapentina; Rifapentinum; Cyclopentylrifampicin; Rifamycin AF/ACPP; Antibiotic DL 473IT; KTC 1; 61379-65-5; MDL 473; DRG-0283; DL 473; R-773; R 77-3; 3-(N-(4-Cyclopentyl-1-piperazinyl)formimidoyl)rifamycin; 3-(4-Cyclopentyl-1-piperazinyl)iminomethylrifamycin SV; 3-(((4-Cyclopentyl-1-piperazinyl)imino)methyl)rifamycin; Rifapentin,(S); NCGC00167431-01; ZINC169621228; NCGC00167431-03; AN-15578; RPE"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45304	DB01201	.	DR1421	877	C47H64N4O12	220	1730	6.7	63	6	15	6	"1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1"	C[C@H]1/C=C/C=C(\\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C6CCCC6)/C	WDZCUPBHRAEYDL-GZAUEHORSA-N
DG00191	Mefloquine	4046	"Lariam; Mefloquin; Mefloquina; Mefloquinone; Mefloquinum; Mephloquine; Racemic mefloquine; Ro 215998; WR 142490; Lariam (Hydrochloride); Lariam (TN); Mefaquin (TN); Mefloquina [INN-Spanish]; Mefloquinum [INN-Latin]; RO 13-7224; RO 13-7225; Ro 21-5998; SPB-80406; WR-142490; Mefloquine (USAN/INN); Mefloquine [USAN:INN:BAN]; RTI1169-1-1; RTI1172-1-1; RTI1173-1-1; RTI1174-1-1; RTI1188-1-1; RTI1189-1-1; Ro 21-5998 (Hydrochloride); WR-142,490; WR-177,602; Ro-21-5998-001; Alpha-2-Piperidinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol; Alpha-2-Piperidyl-2,8-bis(trifluoromethyl)quinoline-4-methanol; [2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol; Erthro-.alpha.-[2-piperidyl]-2,8-bis[trifluoromethyl]-4-quinolinemethanol; (+)-(11R,2'S)-erythro-Mefloquine; (+)-Mefloquine; (+)-Threo-Mefloquine; (-)-(11S,2'R)-erythro-Mefloquine; (-)-Mefloquine; (-)-Threo-Mefloquine; (DL-erythro-alpha-2-Piperidyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol; (R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol; (R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol; (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol; (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol; (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl][(2R)-piperidin-2-yl]methanol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63681	DB00358	.	.	378.31	C17H16F6N2O	45.2	483	3.6	26	2	9	2	"1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2"	C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O	XEEQGYMUWCZPDN-UHFFFAOYSA-N
DG00192	Ponatinib	24826799	Iclusig (TN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:78543	DB08901	DR00204	.	532.6	C29H27F3N6O	65.8	910	4.1	39	1	8	6	"1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)"	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N
DG00193	Imipenem	104838	"Imipemide; Tienamycin; Imipenem anhydrous; Imipenem (INN); N-Formimidoylthienamycin; Primaxin (TN); Imipenem, N-Formimidoyl thienamycin; [5R-[5.alpha.,6.alpha.(R*)]]-6-(1-Hydroxyethyl)-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid monohydrate; (5R,6S)-3-(2-Formimidoylamino-ethylsulfanyl)-6-((R)-1-hydroxy-ethyl)-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (5R,6S)-6-((R)-1-Hydroxyethyl)-3-(2-(iminomethylamino)ethylthio)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carbonsaeure; (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}thio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"	Phase 4	4	Approved Drug(s)	Phase 4	Small molecular drug	.	CHEBI:471744	DB01598	.	DR2447	299.35	C12H17N3O4S	142	491	-0.7	20	3	6	6	"1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1"	C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O	ZSKVGTPCRGIANV-ZXFLCMHBSA-N
DG00195	OSI-027	135398516	.	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:91363	DB12387	.	.	406.4	C21H22N6O3	131	630	2	30	3	7	4	"1S/C21H22N6O3/c1-30-15-4-2-3-13-9-14(25-16(13)15)17-18-19(22)23-10-24-27(18)20(26-17)11-5-7-12(8-6-11)21(28)29/h2-4,9-12,25H,5-8H2,1H3,(H,28,29)(H2,22,23,24)"	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N
DG00196	Benzenemethanol	119104	"1'-Acetoxychavicol acetate; 52946-22-2; 1'-Acetoxychavicol; UNII-SQV3080A20; CHEBI:469; 1'S-1'-Acetoxychavicol acetate; SQV3080A20; (alphaS)-4-(Acetyloxy)-alpha-ethenylbenzenemethanol; [4-[(1S)-1-acetyloxyprop-2-enyl]phenyl] acetate; Galangal acetate; (1S)-1-[4-(acetyloxy)phenyl]prop-2-en-1-yl acetate; Benzenemethanol, 4-(acetyloxy)-.alpha.-ethenyl-, acetate, (.alpha.S)-; CCRIS 7708; 1'-Acethoxychavicol; AC1Q60ZN; AC1L3O7Q; GTPL6298; CHEMBL323727; SCHEMBL17454871; (S)-1'-Acetoxychavicol Acetate; benzenemethanol, 4-(acetyloxy)-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:469	.	.	.	234.25	C13H14O4	52.6	290	2.2	17	0	4	6	"1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3/t13-/m0/s1"	CC(=O)OC1=CC=C(C=C1)[C@H](C=C)OC(=O)C	JAMQIUWGGBSIKZ-ZDUSSCGKSA-N
DG00197	Raltegravir	54671008	"RGV; MK 0518; Isentress(TM); K-0518; MK-0518; Raltegravir (INN); N-(2-(4-(4-fluorobenzylcarbamoyl); N-((4-Fluorophenyl)methyl)-1,6-dihydro-5-hydroxy-1-methyl-2-(1-methyl-1-(((5-methyl-1,3,4-oxadiazol-2-yl)carbonyl)amino)ethyl)-6-oxo-4-pyrimidinecarboxamide; RAL"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB06817	.	.	444.4	C20H21FN6O5	150	836	1.1	32	3	9	6	"1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)"	CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F	CZFFBEXEKNGXKS-UHFFFAOYSA-N
DG00198	Celastrol	122724	"Tripterin; Tripterine; Celastrol, Celastrus scandens; (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid; (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid; 3-Hydroxy-24-nor-2-oxo-1(10),3,5,7-friedelatetraen-29-oic Acid"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:63959	.	.	.	450.6	C29H38O4	74.6	1100	5.9	33	2	4	1	"1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1"	CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O	KQJSQWZMSAGSHN-JJWQIEBTSA-N
DG00199	Prednisone	5865	"Adasone; Ancortone; Bicortone; Cartancyl; Colisone; Cortan; Cortidelt; Cotone; Dacorten; Dacortin; Decortancyl; Decortin; Decortisyl; Dehydrocortisone; Dekortin; Dellacort; Deltacortene; Deltacortisone; Deltacortone; Deltasone; Deltison; Deltisona; Deltisone; Deltra; Diadreson; Econosone; Encorton; Encortone; Enkortolon; Enkorton; Fiasone; Hostacortin; Incocortyl; Juvason; Kortancyl; Lisacort; Lodotra; Metacortandracin; Meticorten; Nisona; Nizon; Novoprednisone; Nurison; Orasone; Panafcort; Panasol; Paracort; Parmenison; Pehacort; Precort; Predeltin; Prednicorm; Prednicort; Prednicot; Prednidib; Prednilonga; Prednison; Prednisona; Prednisonum; Prednitone; Prednizon; Prednovister; Presone; Pronison; Pronisone; Rectodelt; Retrocortine; Servisone; Sone; Sterapred; Supercortil; Ultracorten; Ultracortene; Winpred; Wojtab; Zenadrid; Dellacort A; Delta E; Delta cortelan; Liquid Pred; Origen Prednisone; Prednisone Intensol; Zenadrid [veterinary]; P1276; U 6020; Apo-Prednisone; Delta E.; Delta-Cortelan; Delta-Cortisone; Delta-Cortone; Delta-Dome; Delta-E; Delta1-Cortisone; Delta1-Dehydrocortisone; Di-Adreson; In-Sone; Me-Korti; Meticortelone (TN); Meticorten (TN); Meticorten (Veterinary); Metrevet (Veterinary); Prednicen-M; Prednisona [INN-Spanish]; Prednisone [INN:BAN]; Prednisonum [INN-Latin]; SK-Prednisone; Zenadrid (veterinary); Delta(sup 1)-Cortisone; Delta(sup 1)-Dehydrocortisone; Delta(sup1)-Cortisone; Delta-1-Cortisone; Delta-1-Dehydrocortisone; Deltasone, Liquid Pred, Orasone, Adasone, Deltacortisone,Prednisone; (1S,2R,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-diene-5,17-dione; (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione; (8xi,9xi,14xi)-17,21-dihydroxypregna-1,4-diene-3,11,20-trione; 1,2-Dehydrocortisone; 1,4-Pregnadiene-17-alpha,21-diol-3,11,20-trione; 1,4-Pregnadiene-17.alpha.,21-diol-3,11,20-trione; 1,4-Pregnadiene-17alpha,21-diol-3,11,20-trione; 1-Cortisone; 1-Dehydrocortisone; 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione; 17alpha,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8382	DB00635	DR00438	DR1334	358.4	C21H26O5	91.7	764	1.5	26	2	5	2	"1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1"	C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C	XOFYZVNMUHMLCC-ZPOLXVRWSA-N
DG00200	Dexamethasone	5743	"Adexone; Anaflogistico; Aphtasolon; Aphthasolone; Auxiron; Azium; Calonat; Corson; Corsone; Cortisumman; DXM; Decacort; Decacortin; Decaderm; Decadron; Decagel; Decaject; Decalix; Decameth; Decasone; Decaspray; Dectancyl; Dekacort; Deltafluorene; Dergramin; Deronil; Desadrene; Desametasone; Desamethasone; Desameton; Deseronil; Dexacort; Dexacortal; Dexacortin; Dexadeltone; Dexafarma; Dexair; Dexalona; Dexaltin; Dexametasona; Dexameth; Dexamethansone; Dexamethasonum; Dexamethazone; Dexamonozon; Dexapolcort; Dexaprol; Dexason; Dexasone; Dexinolon; Dexinoral; Dexone; Dexonium; Dexpak; Dextelan; Dezone; Dinormon; Dxms; Fluormethylprednisolone; Fluormone; Fluorocort; Fortecortin; Gammacorten; Hexadecadrol; Hexadrol; IontoDex; Loverine; Luxazone; Maxidex; Mediamethasone; Methylfluorprednisolone; Mexidex; Millicorten; Mymethasone; Oradexon; Policort; Posurdex; Prodex; Spoloven; Superprednol; Turbinaire; Visumetazone; Alcon Brand of Dexamethasone; Bisu DS; Desametasone [DCIT]; Dexa Mamallet; Dexamethasone Base; Dexamethasone Intensol; Dexamethasone alcohol; ECR Brand of Dexamethasone; Foy Brand of Dexamethasone; Hexadrol Elixir; Hexadrol Tablets; ICN Brand of Dexamethasone; Lokalison F; Merck Brand of Dexamethasone; Pet Derm III; Prednisolon F; Prednisolone F; Sunia Sol D; Dexone 4; MK 125; Merz Brand 1 of Dexamethasone; Merz Brand 2 of Dexamethasone; Aeroseb-D; Aeroseb-Dex; Azium (Veterinary); Decadron (TN); Decadron Tablets, Elixir; Decadron, Dexamethasone; Decadron-LA; Dex-ide; Dexa-Cortidelt;Dexa-Cortisyl; Dexa-Mamallet; Dexa-Scheroson; Dexa-sine; Dexacen-4; Dexametasona [INN-Spanish]; Dexamethasonum [INN-Latin]; Dexone 0.5; Dexone 0.75; Dexone 1.5; Hl-dex; Isopto-Dex; OTO-104; Ocu-trol;Pet-Derm Iii; SK-Dexamethasone; Decaject L.A.; Dexamethasone [INN:BAN:JAN]; Decaject-L.A.; Dexamethasone (JP15/USP/INN); Delta1-9alpha-Fluoro-16alpha-methylcortisol; Delta(sup 1)-9-alpha-Fluoro-16-alpha-methylcortisol; (3H)-Dexamethasone; 1-Dehydro-16.alpha.-methyl-9.alpha.-fluorohydrocortisone; 1-Dehydro-16alpha-methyl-9alpha-fluorohydrocortisone; 16-alpha-Methyl-9-alpha-fluoro-1-dehydrocortisol; 16-alpha-Methyl-9-alpha-fluoro-delta(sup 1)-hydrocortisone; 16-alpha-Methyl-9-alpha-fluoro-delta1-hydrocortisone; 16-alpha-Methyl-9-alpha-fluoroprednisolone; 16.alpha.-Methyl-9.alpha.-fluoro-1-dehydrocortisol; 16.alpha.-Methyl-9.alpha.-fluoroprednisolone; 16alpha-Methyl-9alpha-fluoro-1-dehydrocortisol; 16alpha-Methyl-9alpha-fluoro-delta(sup 1)-hydrocortisone; 16alpha-Methyl-9alpha-fluoroprednisolone; 9-alpha-Fluoro-16-alpha-methylprednisolone; 9.alpha.-Fluoro-16.alpha.-methylprednisolone; 9A-FLUORO-16BETA-METHYLPREDNISOLONE; 9alpha-Fluoro-16alpha-methylprednisolone"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:41879	DB01234	DR00215	.	392.5	C22H29FO5	94.8	805	1.9	28	3	6	2	"1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1"	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C	UREBDLICKHMUKA-CXSFZGCWSA-N
DG00201	Oxytetracycline	54675779	"Adamycin; Biostat; Dabicycline; Dalimycin; Fanterrin; Geomycin; Geotilin; Hydroxytetracycline; Imperacin; Lenocycline; Macocyn; OTC; Oksisyklin; Ossitetraciclina; Oxacycline; Oxitetraciclina; Oxitetracyclin; Oxitetracycline; Oxitetracyclinum; Oxymycin; Oxymykoin; Oxypam; Oxyterracin; Oxyterracine; Oxyterracyne; Oxytetracid; Oxytetracyclin; Oxytetracyclinum; Proteroxyna; Riomitsin; Ryomycin; Solkaciclina; Tarocyn; Tarosin; Teravit; Terrafungine; Terramitsin; Terramycin; Tetran; Unimycin; Ursocyclin; Ursocycline; Vendarcin; Biostat PA; Ossitetraciclina [DCIT]; Oxytetracycline HCl; Oxytetracycline [INN]; Oxytetracycline amphoteric; Oxytetracycline anhydrous; Oxytetracycline calcium; Terramycin im; Antibiotic TM 25; LA 200; Liquamycin LA 200; Mycoshield TMQTHC 20; Pennox 200; TM 5; Terramycin Q50; Geomycin (Streptomyces vimosus); OTC (antibiotic); Oxitetraciclina [INN-Spanish]; Oxytetracycline (anhydrous); Oxytetracycline (internal use); Oxytetracyclinum [INN-Latin]; Terramycin, Liquamycin, Oxytetracycline; (2E,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (2E,4S,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (2Z)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide; 5-Hydroxytetracycline"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:27701	DB00595	.	DR2697	460.4	C22H24N2O9	202	1000	-1.6	33	7	10	2	"1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1"	C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O	OWFJMIVZYSDULZ-PXOLEDIWSA-N
DG00202	Olaparib	23725625	"AZD 2281; AZD2281; AZD-2281; Acylpiperazine analogue, 47; KU-0059436; KU-59436; Olaparib, KU-0059436, AZD2281,KU0059436, AZD2281; 4-[(3-{[4-Cyclopropylcarbonyl)piperazin-4-yl]carbonyl}-4-fluorophenyl)methyl]phtalazin-1(2H)-one; 4-[3-(4-Cyclopropanecarbonyl-piperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:83766	DB09074	DR00221	DR1188	434.5	C24H23FN4O3	82.1	790	1.9	32	1	5	4	"1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)"	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N
DG00203	Rosuvastatin	446157	"Astende; Cirantan; Cresadex; Creston; Crestor; Provisacor; Razel; Rosedex; Rosimol; Rosumed; Rosustatin; Rosuvas; Rosuvast; Rosvel; Rovartal; Simestat; Sinlip; Vivacor; Rosuvastatin [INN]; Rosuvastatin calcium; Rosuvastatin calcium [USAN]; Rosuvastatin hemicalcium; S 4522; ZD 4522; ZD4522; AZD-4522; Creston (TN);Crestor (TN); Pyrimidine Compound, 26; Rosuvastatin (INN); S-4522; ZD 4522, calcium salt; ZD-4522; Rosuvastatin calcium (JAN/USAN); Bis[(E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino] pyrimidin-5-yl](3R,5S)-3,5-dihydroxyhelpt-6-enoic acid] calcium salt; Calcium (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate; (3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid; (3R,5S,6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid; (3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid; (E,3R,5R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid; (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid; (S-((R*,S*-(E)))-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl) amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid, calcium salt (2:1); (S-(R*,S*-(E)))-7-(4-(4-Fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid, calcium salt (2:1); 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, (3R,5S,6E); 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, calcium salt (2:1), (3R,5S,6E)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:38545	DB01098	DR00223	DR1445	481.5	C22H28FN3O6S	149	767	1.6	33	3	10	10	"1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1"	CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C	BPRHUIZQVSMCRT-VEUZHWNKSA-N
DG00204	Fulvestrant	104741	"Faslodex; AstraZeneca brand of fulvestrant; Fulvestrant [USAN]; Ici 182780; ZD 182780; ZM 182780; Faslodex (TN); ZD-182780; ZD-9238; ZM-182780; Faslodex(ICI 182,780); Faslodex, ICI 182780, Fulvestrant; Fulvestrant (JAN/USAN/INN); (7R,13S,17S)-13-methyl-7-(9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol; (7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; (7R,8S,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl) nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; (7alpha,17beta)-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol; 7-(9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl)estra-1,3,5(10)-triene-3,17-diol; 7alpha-(9-((4,4,5,5,5,-Pentafluoropentyl)sulfinyl)nonyl)estra-1,3,5(10)-triene-3,17beta-diol; 7alpha-(9-((4,4,5,5,5-Pentafluoropentyl)sulfinyl)nonyl)estra-1,3,5(10)-triene-3,17beta-diol; 7alpha-[9[(4,4,5,5,5-Pentafluropentyl)sulfinyl]nonyl]-estra-1,3,5(10)-triene-3, 17 beta diol; ICI"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31638	DB00947	.	DR0756	606.8	C32H47F5O3S	76.7	854	9.2	41	2	9	14	"1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41 /m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N
DG00205	PD-0325901	9826528	"PD 0325901; PD 325901; PD0325901; PD325901; PD-325901; S06-0029; N-[((R)-2,3-dihydroxypropyl)oxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide; N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodo-phenyl)amino]benzamide; N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:88249	DB07101	.	.	482.19	C16H14F3IN2O4	90.8	465	3	26	4	8	7	"1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1"	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N
DG00206	AZD-8055	25262965	"AZD8055; 1009298-09-2; AZD-8055; AZD 8055; [5-[2,4-Bis((3S)-3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol; (5-(2,4-bis((S)-3-methylmorpholino)pyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl)methanol; UNII-970JJ37FPW; 970JJ37FPW; CHEMBL1801204; AK109550; (5-(2,4-Bis((S)-3-methylmorpholino)pyrido-[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl)methanol; (5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:91329	DB12774	.	.	465.5	C25H31N5O4	93.1	659	2.6	34	1	9	5	"1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1"	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N
DG00207	Cefotiam	43708	"Aspil; CTM; Cefotiamum; Ceradolan; Haloapor; CEFOTIAM HYDROCHLORIDE; CGP 14221E; Abbott-48999; Aspil (TN); Cefotiam (INN); Cefotiam [INN:BAN]; Cefotiamum [INN-Latin]; SCE-963; CGP-14221-E; (6R,7R)-7-[2-(2-Amino-thiazol-4-yl)-acetylamino]-3-[1-(2-dimethylamino-ethyl)-1H-tetrazol-5-ylsulfanylmethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}thio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7b-[2-(aminothiazol-4-yl)acetamido]-3-[[[1-(2-dimethylaminoethyl)-1h-tetrazol-5-yl]thio]methyl]ceph-3-em-4-carboxylic acid; 7beta-(2-amino-1,3-thiazol-4-yl)acetamido-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:355510	DB00229	DR01194	.	525.6	C18H23N9O4S3	251	848	-2.4	34	3	13	10	"1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)/t12-,15-/m1/s1"	CN(C)CCN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CSC(=N4)N)SC2)C(=O)O	QYQDKDWGWDOFFU-IUODEOHRSA-N
DG00208	Everolimus	6442177	"Afinitor; Afinitor (TN); CERTICAN(R); Certican; Certican (TN); Everolimus (JAN/USAN/INN); Everolimus [USAN]; MTOR kinase inhibitors; NVP-RAD-001; RAD 001; RAD-001; RAD-001C; RAD001; RAD001, SDZ-RAD, Certican, Zortress, Afinitor, Everolimus; SDZ-RAD; Zortress"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:68478	DB01590	DR00224	DR0674	958.2	C53H83NO14	205	1810	5.9	68	3	14	9	"1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1"	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC	HKVAMNSJSFKALM-GKUWKFKPSA-N
DG00209	Sparfloxacin	60464	"Esparfloxacino; SPFX; Spara; Sparfloxacine; Sparfloxacinum; Zagam; AT 4140; CP 103826; PD 131501; PD131501; AT-4140; CP-103826; DRG-0143; Esparfloxacino [INN-Spanish]; Liposome-encapsulated sparfloxacin; PD 1315-1; PD-131501; RP-64206; Respipac (TN); Sparfloxacin & RU 40555; Sparfloxacine [INN-French]; Sparfloxacinum [INN-Latin]; Zagam (TN); Sparfloxacin, cis-isomer; Sparfloxacin (JAN/USAN/INN); Sparfloxacin [USAN:BAN:INN:JAN]; Cis-5-Amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; (cis)-5-amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; 5-Amino-1-cyclohexyl-7-(cis-3,5-dimethylpiperazino)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; 5-Amino-1-cyclopropyl-7-(cis-3,5-dimethyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid & RU 40555; 5-Amino-1-cyclopropyl-7-(cis-3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9212	DB01208	DR00791	.	392.4	C19H22F2N4O3	98.9	691	0.1	28	3	9	3	"1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+"	C[C@@H]1CN(C[C@@H](N1)C)C2=C(C(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)N)F	DZZWHBIBMUVIIW-DTORHVGOSA-N
DG00210	Entecavir	135398508	"Baraclude; ETV; Entecavir hydrate; Entecavir monohydrate; BMS-200475; Baraclude (TN); Entecavir (INN); Entecavir (USAN); Entecavir hydrate (JAN); SQ-34676; 2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one; 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1,9-dihydro-6H-purin-6-one; 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1,9-dihydro-6H-purin-6-one-water (1/1); 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one; 6-H-Purin-6-one-,2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]; 9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)guanine monohydrate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:473990	DB00442	DR01277	.	277.28	C12H15N5O3	126	480	-1.3	20	4	5	2	"1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1"	C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C2N=C(NC3=O)N	QDGZDCVAUDNJFG-FXQIFTODSA-N
DG00211	AQ-13	9820475	"AQ-13 Dihydrochloride; 169815-40-1; UNII-PKT9732S5K; AQ 13; PKT9732S5K; DTXSID10168761; (N1-(7-Chloroquinolin-4-yl)-3-(N3,N3-diethylamino)propylamine) dihydrochloride; HY-100358; CS-0018673; 1,3-Propanediamine, N'-(7-chloro-4-quinolinyl)-N,N-diethyl-, dihydrochloride"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	.	.	.	364.7	C16H24Cl3N3	28.2	270	.	22	3	3	7	"1S/C16H22ClN3.2ClH/c1-3-20(4-2)11-5-9-18-15-8-10-19-16-12-13(17)6-7-14(15)16;;/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,18,19);2*1H"	CCN(CC)CCCNC1=C2C=CC(=CC2=NC=C1)Cl.Cl.Cl	ZNHBPWZRWNFJPN-UHFFFAOYSA-N
DG00212	Genistein	5280961	"Bonistein; GEN; Genestein; Genisteol; Genisterin; Prunetol; Sophoricol; Differenol A; G 6649; G10000; IN1327; NPI 031L; STO514; TNP00151; GENISTEIN (ENDOCRINE DISRUPTER); Lactoferrin-genistein; PTI G4660 (Genistein); PTI-G4660; SIPI 807-1; C.I. 75610; SIPI-9764-I; ENDOCRINE DISRUPTOR (GENISTEIN) (SEE ALSO GENISTEIN (446-72-0)); 4 inverted exclamation marka,5,7-Trihydroxyisoflavone; ,5,7-Trihydroxyisoflavone; 4',5, 7-Trihydroxyisoflavone; 4',5,7-Trihydroxy isoflavone; 4',5,7-Trihydroxyisoflavone; 4,5,7-Trihydroxyiso-flavone; 4,6,7-Trihydroxyisoflavone; 5,7,4'-Trihydroxyisoflavone; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:28088	DB01645	DR00641	DR0768	270.24	C15H10O5	87	411	2.7	20	3	5	1	"1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H"	C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O	TZBJGXHYKVUXJN-UHFFFAOYSA-N
DG00213	Savolitinib	68289010	"1313725-88-0; AZD-6094; AZD6094; UNII-2A2DA6857R; CHEMBL3334567; 2A2DA6857R; Savolitinib [INN]; Volitinib(Savolitinib); Savolitinib [USAN:INN]; GTPL9918; SCHEMBL12489208; EX-A845; BDBM50023342; ZINC149738712; AKOS030526403; DB12048; compound 28 [PMID: 25148209]; HY-15959; AS-35250; 1H-1,2,3-Triazolo(4,5-b)pyrazine, 1-((1S)-1-imidazo(1,2-a)pyridin-6-ylethyl)-6-(1-methyl-1H-pyrazol-4-yl)-; KB-333895; FT-0700162; J-690125; 4-{1-[(1S)-1-{imidazo[1,2-a]pyri"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12048	.	.	345.4	C17H15N9	91.6	505	1.5	26	0	6	3	"1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1"	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N
DG00214	Saracatinib	10302451	"H8H; AZD-0530; Saracatinib, AZD-0530, AZD0530; N-(5-Chloro-1,3-benzodioxol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB11805	.	.	542	C27H32ClN5O5	90.4	743	4.1	38	1	10	8	"1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)"	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N
DG00215	Bacitracin A	10909430	"Altracin; Baciguent; Baciquent; Citracin; Fortracin; Bacitracin A; Bacitracin A1; Bacitracin A2a; Neosporin (TN); Solu-Tracin 50; Partyl-, (10.4)-lactam; L-Asparagine, N-[[(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-4-thiazolyl]carbonyl]-L-leucyl-D-.alpha.-glutamyl-L-isoleucyl-L-lysyl-D-ornithyl-L-isoleucyl-D-phenylalanyl-L-histidyl-D-.alpha.-as; 11702_FLUKA; 11702_SIGMA"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:35862	DB00626	.	.	1422.7	C66H103N17O16S	556	2850	-4.1	100	17	21	31	"1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1"	CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC(=N2)[C@H]([C@@H](C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4	CLKOFPXJLQSYAH-ABRJDSQDSA-N
DG00216	Rociletinib	57335384	"1374640-70-6; AVL-301; CO1686; UNII-72AH61702G; CNX-419; CO-1686 (AVL-301); Rociletinib(AVL-301,CNX-419,CO-1686); 72AH61702G; N-(3-((2-((4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)acrylamide; CO 1686; Rociletinib (CO-1686, AVL-301); Rociletinib [USAN:INN]; Tube721; Rociletinib (USAN/INN); Rociletinib (CO-1686); SCHEMBL4177736; GTPL7966; CHEMBL3545308; EX-A228; MolPort-035-395-816; C27H28F3N7O3; HMS3653G08; BDBM149404; BCP07085; AOB87314; ZINC98043800; s7284"	Terminated	10	Discontinued Drug(s)	Terminated	Small molecular drug	.	.	DB11907	.	.	555.6	C27H28F3N7O3	112	871	4	40	3	11	8	"1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)"	CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC	HUFOZJXAKZVRNJ-UHFFFAOYSA-N
DG00217	Parthenolide	7251185	"Parthenolide; 20554-84-1; (-)-Parthenolide; CHEBI:7939; Parthenolide, Tanacetum parthenium; 4,5-alpha-Epoxy-6-beta-hydroxygermacra-1(10),11(13)-dien-12-oic acid gamma-lactone; partenolide; C15H20O3; 29552-41-8; Prestwick2_000550; Prestwick3_000550; Epitope ID:115014; SCHEMBL8220; BSPBio_001308; BSPBio_000599; MLS002153872; CHEMBL465158; BPBio1_000659; SCHEMBL13367522; BCBcMAP01_000041; Parthenolide, > MolPort-008-268-168; MolPort-003-959-089; HMS1361B10; HMS3402B10; HMS1989B10; HMS1791B10; HMS1569N21; HMS2096N21"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:7939	DB13063	.	.	248.32	C15H20O3	38.8	437	2.3	18	0	3	0	"1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13+,15+/m0/s1"	C/C/1=C\\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N
DG00218	Omacetaxine mepesuccinate	285033	Synribo (TN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:71019	DB04865	.	.	545.6	C29H39NO9	124	968	0.8	39	2	10	11	"1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1"	CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O	HYFHYPWGAURHIV-JFIAXGOJSA-N
DG00219	Dapsone	2955	"Aczone; Atrisone; Avlosulfon; Avlosulfone; Avlosulphone; Avsulfor; Croysulfone; Croysulphone; DADPS; DDS; Dapson; Dapsona; Dapsonum; Diaminodifenilsulfona; Diaminodiphenylsulfone; Diaphenylsulfon; Diaphenylsulfone; Diaphenylsulphon; Diaphenylsulphone; Diphenasone; Diphone; Disulone; Dubronax; Dubronaz; Dumitone; Eporal; Novophone; Protogen; Sulfadione; Sulfona; Sulfonyldianiline; Sulphadione; Sulphonyldianiline; Tarimyl; Udolac; Araldite HT; D SS; Diaminodifenilsulfona [Spanish]; Diaminodiphenyl sulfone;Fatol Brand of Dapsone; Metabolite C; Orsade Brand of Dapsone; Sulfone ucb; Sumicure S; Araldite HT 976; F 1358; HT 976; HY 976; Hardener HT 976; W R 448; WR 448; ALBB-005917; AZT + Dapsone cominbation; Aczone (TN); DDS (pharmaceutical); DDS, diaphenylsulfone; DDS, pharmaceutical; DSS (VAN); Dapsoderm-X; Dapson-Fatol; Dapsona [INN-Spanish]; Dapsone (USP); Dapsone [USAN:BAN]; Dapsonum [INN-Latin];Diamino-diphenyl sulphone; Diaphenylsulfone (JAN); IN-201; Mex-America Brand of Dapsone; P-Aminophenyl sulfone; Sulfanona-mae; Sulfon-mere; Sulfona-MAE; Sulphon-mere; Bis(4-aminophenyl) sulfone; Bis(4-aminophenyl)sulfone; Bis(4-aminophenyl)sulphone; Bis(p-aminophenyl) sulfone; Bis(p-aminophenyl)sulphone; Di(4-aminophenyl) sulfone; Di(4-aminophenyl)sulfone; Di(4-aminophenyl)sulphone; Di(p-aminophenyl) sulfone; Di(p-aminophenyl)sulphone; P,p-Diaminodiphenyl sulphone; P,p-Sulfonylbisbenzamine; P,p-Sulfonylbisbenzenamine; P,p-Sulphonylbisbenzamine; P,p-Sulphonylbisbenzenamine; P,p-Sulphonyldianiline; N, N'-Diphenyl sulfondiamide; N,N'-Diphenyl sulfondiamide; P, p'-Sulfonyldianiline; P,p'-Diaminodiphenyl sulfone; P,p'-sulfonyldianiline; Diamino-4,4'-diphenyl sulfone; Diamino-4,4'-diphenyl sulphone; Sulfone, 4,4'-Diaminophenyl; (4-sulfanilylphenyl)amine; 1,1'-Sulfonylbis(4-aminobenzene); 1,1'-Sulfonylbis[4-aminobenzene]; 1,1'-Sulphonylbis(4-aminobenzene); 4,4' Diaminophenyl Sulfone; 4,4'-Dapsone; 4,4'-Diaminodiphenyl sulfone; 4,4'-Diaminodiphenyl suphone; 4,4'-Diaminodiphenylsulfone; 4,4'-Sulfonylbisaniline; 4,4'-Sulfonylbisbenzamine; 4,4'-Sulfonylbisbenzenamine; 4,4'-Sulfonyldianiline;4,4'-Sulfonyldianiline (Dapsone); 4,4'-Sulphonylbisbenzamine; 4,4'-Sulphonylbisbenzenamine; 4,4'-Sulphonyldianiline; 4,4'-diaminophenyl sulfone; 4,4-Diaminodifenylsulfon; 4,4-Diaminodifenylsulfon [Czech]; 4,4-Sulfonyldianiline; 4-(4-aminophenyl)sulfonylaniline; 4-Aminop henyl sulfone; 4-Aminophenyl sulfone; 4-Aminophenylsulfone; 4-[(4-aminobenzene)sulfonyl]aniline; 4-[(4-aminophenyl)sulfonyl]aniline"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4325	DB00250	.	DR0415	248.3	C12H12N2O2S	94.6	306	1	17	2	4	2	"1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2"	C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N	MQJKPEGWNLWLTK-UHFFFAOYSA-N
DG00220	Oxacillin	6196	"Bactocill; Ossacillina; Oxacilina; Oxacilline; Oxacillinum; Oxazocillin; Oxazocilline; Prostaphlin; Prostaphlyn; OXACILLIN SODIUM; Ossacillina [DCIT]; Sodium oxacillin; Bactocill (TN); MPI-penicillin; MPi-PC; Oxacilina (TN); Oxacilina [INN-Spanish]; Oxacillin (INN); Oxacillin [INN:BAN]; Oxacilline [INN-French]; Oxacillinum [INN-Latin]; Penicillin, Methylphenylisoxazolyl; Oxacillin, Monosodium Salt, Anhydrous; (2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-3,3-dimethyl-6-{[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (5-methyl-3-phenyl-4-isoxazolyl)penicillin; 2,2-dimethyl-6beta-(5-methyl-3-phenyl-1,2-oxazole-4-carboxamido)penam-3alpha-carboxylic acid; 5-Methyl-3-phenyl-4-isoxazolyl-penicillin; 6beta-(5-methyl-3-phenylisoxazol-4-yl)penicillanic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7809	DB00713	DR00647	DR2321	401.4	C19H19N3O5S	138	681	2.4	28	2	7	4	"1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1"	CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O	UWYHMGVUTGAWSP-JKIFEVAISA-N
DG00221	Streptomycin	19649	"Agrept; Agrimycin; Gerox; Neodiestreptopab; SRY; Strepcen; Streptomicina; Streptomycine; Streptomycinum; Streptomyzin; Liposomal Streptomycin; Streptomicina [Italian]; Streptomycin A; Streptomycin A sulfate; Streptomycin Sesquisulfate Hydrate; Streptomycin sulfate; Streptomycin sulphate; Streptomyzin [German]; Agrept (TN); Estreptomicina [INN-Spanish]; Hokko-mycin; Plantomycin (TN); Rimosidin (TN); Streptomycin & EEP; Streptomycin & Propolis; Streptomycin (INN); Streptomycin (TN); Streptomycin [INN:BAN]; Streptomycin, Sulfate Salt; AS-50 (TN); STREPTOMYCIN SULFATE (2:3) SALT; Agri-mycin-17 (TN); O-2-Deoxy-2-(methylamino)-.alpha.-L-glucopyranosyl-(1->2)-O-5-deoxy-3-C-formyl-.alpha.-L-lyxofuranosyl-(1->4)-N,N'-bis(aminoiminomethyl)-D-streptamine and Liposome; N,N'''-[(1R,2R,3S,4R,5R,6S)-4-{5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyloxy}-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine; N,N'''-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine; 2,4-Diguanidino-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-(2-deoxy-2-methylamino-alpha-L-glucopyranosyl)-3-C-formyl-beta-L-lyxopentanofuranoside; 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine; 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2S,3S,4S,5R)-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine; 2-[(1S,2S,3R,4S,5S,6R)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine; 2-[(1S,4S)-5-(diaminomethylideneamino)-2-[(2R,5S)-3-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine; [2-deoxy-2-(dimethylamino)-alpha-L-glucopyranosyl]-(1->2)-[5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl]-(1->4)-{N',N'''-[(1,3,5/2,4,6)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine}"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17076	DB01082	.	DR2387	581.6	C21H39N7O12	336	940	-8	40	12	15	9	"1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1"	C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O	UCSJYZPVAKXKNQ-HZYVHMACSA-N
DG00222	Voriconazole	71616	"VCZ; Vfend; Pfizer brand of voriconazole; UK 109496; Voriconazole in combination with MGCD290; DRG-0301; UK 109,496; UK-109496; VFEND (TN); Vfend (TN); Vfend, Voriconazole; UK-109,496; Voriconazole [USAN:INN:BAN]; Voriconazole (JAN/USAN/INN); (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol; (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol; (R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol; (alphaR,betaS)-alpha-(2,4-Difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol; (alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol; VRC"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:10023	DB00582	DR00445	DR1709	349.31	C16H14F3N5O	76.7	448	1.5	25	1	8	5	"1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1"	C[C@@H](C1=NC=NC=C1F)[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O	BCEHBSKCWLPMDN-MGPLVRAMSA-N
DG00223	Dihydroartemisinin	3000518	"Artenimol; Cotecxin; Dihydroartemisinine; Dihydroqinghaosu; Dihydroquinghaosu; Dihydroquinghoasu; VM3352; Artenimol (INN); JAV-110; GNF-PF-5634; (3R,5aS,6R,8aS,9R,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10-ol; [3R-(3.alpha.,5a.beta.,6.beta.,8a.beta.,9.alpha.,10.alpha.,12.beta.,12aR*)]-Decahydro-10-hydroxy-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4.3-j]-1,2-benzodioxepin; 1,5,9-trimethyl-(1R,4S,5R,8S,9R,10S,12R,13R)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol(Dihydroartemisinin)"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:135921	DB11638	.	.	284.35	C15H24O5	57.2	415	2.5	20	1	5	0	"1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1"	C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)O)C	BJDCWCLMFKKGEE-ISOSDAIHSA-N
DG00224	Trichostatin A	444732	"Trichostatin A; 58880-19-6; Trichostatin A (TSA); TSA; Trichostatin; Tricostatin A; UNII-3X2S926L3Z; CHEBI:46024; (2E,4E,6R)-7-[4-(Dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide; GNF-PF-1011; RTKIYFITIVXBLE-QEQCGCAPSA-N; 3X2S926L3Z; 7-(4-(Dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide; 2,4-Heptadienamide, 7-(4-(dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxo-; 7-[4-(DIMETHYLAMINO)PHENYL]-N-HYDROXY-4,6-DIMETHYL-7-OXO-2,4-HEPTADIENAMIDE"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:46024	DB04297	.	.	302.37	C17H22N2O3	69.6	447	2.7	22	2	4	6	"1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1"	C[C@H](/C=C(\\C)/C=C/C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C	RTKIYFITIVXBLE-QEQCGCAPSA-N
DG00225	Ciprofloxacin XR	2764	Ciprofloxacin; 85721-33-1; Ciprofloxacine; Ciprobay; Ciproxan; Ciprofloxacina; Ciprofloxacinum; Ciprofloxacino; Cipro IV; Ciproxina; Ciprinol; Bernoflox; Ciprodar; Cifloxin; Septicide; Bacquinor; Ciproquinol; Cipromycin; Ciprocinol; Cipro XR; Superocin; Ciprowin; Ciprolon; Ciproflox; Ciprecu; BAY q 3939; Spitacin; Quintor; Quinolid; Proflaxin; Probiox; Ipiflox; Zumaflox; Ciproxine; Ciprolin; Roxytal; Italnik; Fimoflox; Corsacin; Citopcin; Ciprogis; Rancif; Ciriax; Ciplus; Baflox; Loxan; Cilab; Cycin; Cixan; Unex; GW1843; Ciprofloxacin Hydrochloride; Ciprofloxacin intratympanic - Otonomy	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:100241	DB00537	DR00783	DR2273	331.34	C17H18FN3O3	72.9	571	-1.1	24	2	7	3	"1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)"	C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O	MYSWGUAQZAJSOK-UHFFFAOYSA-N
DG00226	Nevirapine	4463	"NEV; NVP; Viramune; Cahill May Roberts Brand of Nevirapine; Promeco Brand of Nevirapine; BI RG 587; BIRG 0587; BIRG 587; BIRG587; BIRG-0587; BIRG-587; NON-NUCLEOSIDE RT INHIBITOR NEVIRAPINE; Nevirapine & PRO 140; Nevirapine [USAN:INN]; Viramune (TN); Viramune(TM); BI-RG-587; Nevirapine & CD4-IgG; Nevirapine (JAN/USP/INN); Viramune, BI-RG 587, Nevirapine; BI-RG-587 & CD4-IgG; N11-Cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e]-[1,4]diazepin-6-one & CD4-immunoadhesin; 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE; 11-Cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one; 11-Cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one & PRO 140 (Anti-CCR5 monoclonal antibody); 11-Cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one; 11-Cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63613	DB00238	DR00447	DR1142	266.3	C15H14N4O	58.1	397	2	20	1	4	1	"1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)"	CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4	NQDJXKOVJZTUJA-UHFFFAOYSA-N
DG00227	Meropenem	441130	"MEPM; MERONEM; Meropen; Merrem; Meropenem anhydrous; Mepem (TN); Meronem (TN); Meropen (TN); Meropenem (INN); Merrem (TN); Neopenem (TN); SM-7338; Meronem; Merrem I.V. (TN); (1R,5S,6S)-2-[(3S,5S)-5-(dimethylaminocarbonyl)pyrrolidin-3-ylthio]-6-[(R)-1-hydroxyethyl]-1-methylcarbapen-2-em-3-carboxylic acid trihydrate; (2S,3R,4R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-{[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid; (4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]thio}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (5S,6S)-3-((3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-ylthio)-6-((S)-1-hydroxyethyl)-4-methyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (6S)-2-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-1beta-methyl-2,3-didehydro-1-carbapenam-3-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:43968	DB00760	DR01200	DR2491	383.5	C17H25N3O5S	136	679	-2.4	26	3	7	5	"1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1"	C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O	DMJNNHOOLUXYBV-PQTSNVLCSA-N
DG00228	Docetaxel	148124	"EmDOC; TXL; Taxotere; Docetaxel anhydrous; ANX-514; Docetaxel (INN); Docetaxel, Trihydrate; RP-56976; SDP-014; Taxotere (TN); Taxotere(R); XRP-6976L; Docetaxel 114977-28-5; N-debenzoyl-N-Boc-10-deacetyl taxol; N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel; N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol; (2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate; 4-(acetyloxy)-13alpha-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7beta,10beta-trihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4672	DB01248	DR00251	DR0520	807.9	C43H53NO14	224	1660	1.6	58	5	14	13	"1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N
DG00229	Osimertinib	71496458	Tagrisso	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:90943	DB09330	DR00655	DR1207	499.6	C28H33N7O2	87.6	752	3.7	37	2	7	10	"1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)"	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N
DG00230	Bosutinib	5328940	"SKI 606; SKI606; Bosutinib (USAN); PF-5208763; SKI-606; Xy]-3-quinolinecarbonitrile; 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile; 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile; 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile; 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propo; 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile; Bosutinib (BCR-ABL inhibitor 3rd gen)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:39112	DB06616	DR00253	DR0224	530.4	C26H29Cl2N5O3	82.9	734	5.4	36	1	8	9	"1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)"	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N
DG00231	Kirromycin	135484176	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	796.9	C43H60N2O12	224	1720	3.8	57	8	12	17	"1S/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53)/b11-9-,14-12+,17-16+,20-15+,21-13+,25-18+,26-19+/t27-,28-,30-,31+,34+,35+,36-,37+,38+,39-,43-/m1/s1"	CC[C@H](C(=O)NC/C=C/C=C(\\C)/[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)/C=C/C=C/C=C(\\C)/C(=O)C2=C(C=CNC2=O)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)/C=C/C=C\\C)(C)C)O)O)O	HMSYAPGFKGSXAJ-PAHGNTJYSA-N
DG00232	Piperaquine	122262	"Piperaquinoline; Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro-); Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro-(9CI); 1,3-bis(1-(7-chloro-4'-quinolyl)-4'-piperazinyl)propane; 1,3-bis(4-(7'-chloro-4'-quinoline)-1-piperazine); 4,4'-(propane-1,3-diyldipiperazine-4,1-diyl)bis(7-chloroquinoline); 7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:91231	DB13941	.	DR1296	535.5	C29H32Cl2N6	38.7	655	5.6	37	0	6	6	"1S/C29H32Cl2N6/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29/h2-9,20-21H,1,10-19H2"	C1CN(CCN1CCCN2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C5=C6C=CC(=CC6=NC=C5)Cl	UCRHFBCYFMIWHC-UHFFFAOYSA-N
DG00233	Co-trimoxazole	358641	.	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3770	.	.	.	543.6	C24H29N7O6S	212	653	.	38	4	13	8	"1S/C14H18N4O3.C10H11N3O3S/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2-6H,11H2,1H3,(H,12,13)"	CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N.COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N	WZRJTRPJURQBRM-UHFFFAOYSA-N
DG00234	Fluphenazine	3372	"FLUPHENAZINE; Triflumethazine; Fluorophenazine; Fluorphenazine; Fluorfenazine; Siqualon; Elinol; 69-23-8; Phthorphenazine; Vespazine; Ftorphenazine; Siqualine; Sevinol; Pacinol; Fluphenazinum; Flufenazina; Prolixin; Flufenazin; Dapotum; Flufenazina [DCIT]; Yespazine; SQ 4918; Fluphenazine [INN:BAN]; Moditen (Tabl or elixir); Fluphenazinum [INN-Latin]; 2-(4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)piperazin-1-yl)ethanol; 10-(3-(2-Hydroxyethyl)piperazinopropyl)-2-(trifluoromethyl)phenothiazine; UNII-S79426A41Z; HSDB 3334; Dapotum; Prolixine; Fluphenazine hydrochloride; Moditen Hcl; Permitil Concentrate; Prolixin Concentrate; S94; Anatensol (TN); Apo-Fluphenazine; Dapotum (TN); Dapotum D (TN); Dapotum Injektion (TN); Decanoate (TN); Deconoate (TN); Enanthate (TN); Fludecate (TN); Flunanthate (TN); Fluphenazine (INN); Hydrochloride, Fluphenazine; Lyogen (TN); Modecate (TN); Moditen (TN); Moditen Enanthate Injection (TN); Omca (TN); Permitil (TN); Prolixin (TN); Sediten (TN); Selecten (TN); Sevinol (TN); Sinqualone (TN); Trancin (TN)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5123	DB00623	DR00658	.	437.5	C22H26F3N3OS	55.2	544	4.4	30	1	8	6	"1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2"	C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO	PLDUPXSUYLZYBN-UHFFFAOYSA-N
DG00235	Ceftazidime	5481173	"Ceftazidima; Ceftazidimum; Ceptaz; Fortaz; Ceftazidime Sodium In Plastic Container; Ceftazidime anhydrous; Ceftazidime pentahydrate; Fortaz In Plastic Container; SN 401; CEFTAZIDIME (ARGININE FORMULATION); Ceftazidima [INN-Spanish]; Ceftazidime (INN); Ceftazidime (TN); Ceftazidimum [INN-Latin]; Cefzim (TN); Ceptaz (TN); Fortaz (TN); Fortum (TN); (6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1-carboxy-1-methylethoxy)imino]acetyl}amino)-8-oxo-3-(pyridinium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-8-oxo-3-(pyridinium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-(pyridinium-1-ylmethyl)-3,4-didehydrocepham-4-carboxylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3508	DB00438	.	.	546.6	C22H22N6O7S2	245	1020	0.4	37	3	12	8	"1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1"	CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-]	ORFOPKXBNMVMKC-DWVKKRMSSA-N
DG00236	Isepamicin	3037209	Isepacin (TN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB13540	.	.	569.6	C22H43N5O12	298	817	-6.9	39	12	16	9	"1S/C22H43N5O12/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-/m0/s1"	C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N)NC(=O)[C@H](CN)O)O	UDIIBEDMEYAVNG-ZKFPOVNWSA-N
DG00237	Lincomycin	3000540	"Cillimycin; Epilincomycin; Jiemycin; LCM; Lincocin; Lincocine; Lincolcina; Lincolnensin; Lincomicina; Lincomix; Lincomycine; Lincomycinum; Lincomyocin; Lincorex; Mycivin; Lincomycin A; Lincomycine [French]; CBMicro_021584; Lincomix 20; Pura Ject 100; Lincocin (TN); Lincomicina [INN-Spanish]; Lincomycine [INN-French]; Lincomycinum [INN-Latin]; U 10,149A; Lincomycin (USAN/INN); Lincomycin [USAN:INN:BAN]; Lincomycin, (2S-cis)-Isomer; Methyl 6,8-dideoxy-6-[(1-methyl-4-propylprolyl)amino]-1-thiooctopyranoside"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6472	DB01627	.	.	406.5	C18H34N2O6S	148	499	0.2	27	5	8	7	"1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1"	CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O	OJMMVQQUTAEWLP-KIDUDLJLSA-N
DG00238	Novobiocin	54675769	"Albamix; Albamycin; Cardelmycin; Cathocin; Cathomycin; Inamycin; NOV; Novobiocina; Novobiocine; Novobiocinum; Robiocina; Sirbiocina; Spheromycin; Stilbiocina; Streptonivicin; Crystallinic acid; Novobiocin sodium salt; PA 93; U 6391; Albamycin (TN); Antibiotic PA-93; Novo-R; Novobiocin [INN:BAN]; Novobiocina [INN-Spanish]; Novobiocine [INN-French]; Novobiocinum [INN-Latin]; Streptonivicin (*Sodium salt*); [(3R,4S,5R,6R)-5-hydroxy-6-[2-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-4-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate; N-[7-[[3-O-(Aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-.beta.-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-butenyl); (3R,4S,5R,6R)-5-hydroxy-6-{[4-hydroxy-3-({[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]carbonyl}amino)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate; (3r,4s,5r,6r)-5-hydroxy-6-[(2-hydroxy-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]amino}-8-methyl-4-oxo-4h-chromen-7-yl)oxy]-3-methoxy-2,2-dimethyltetrahydro-2h-pyran-4-yl carbamate(non-preferred name); 7-(3-(O-Carbamoyl)-4-(O-methyl)-5,5-dimethyl-alpha-L-lyxopyranosyloxy)-4-hydroxy-3-(4-hydroxy-3-(3-methyl-2-butenyl)benzamidol)-8-methylcumarin; 7-(Carbamoyltetrahydro-3-hydroxy-5-methoxy-6,6-dimethylpyran-2-yloxy)-4-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-enyl)benzamide)-8-methyl-2H-chromen-2-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28368	DB01051	.	.	612.6	C31H36N2O11	196	1150	3.3	44	5	11	9	"1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1"	CC1=C(C=CC2=C1OC(=O)C(=C2O)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O	YJQPYGGHQPGBLI-KGSXXDOSSA-N
DG00239	Ertapenem	150610	"Ertapenem [INN]; Ertapenem (INN); Invanz (TN); (1R,5S,6S,8R,2'S,4'S)-2-(2-(3-carboxyphenylcarbamoyl)pyrrolidin-4-ylthio)-6-(1-hydroxyethyl)-1-methylcarbapenem-3-carboxylic acid; (4R,5S,6S)-3-((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-ylthio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (4R,5S,6S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:404903	DB00303	.	DR2457	475.5	C22H25N3O7S	182	893	-1.5	33	5	9	7	"1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1"	C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)[C@@H](C)O	JUZNIMUFDBIJCM-ANEDZVCMSA-N
DG00240	Norfloxacin	4539	"Baccidal; Barazan; Chibroxin; Fulgram; Lexinor; NFLX; Norflo; Norfloxacine; Norfloxacino; Norfloxacinum; Noroxin; Sebercim; Merck Brand of Norfloxacin; Norfloxacin Merck Brand; AM 0715; AM 715; AM0715; MK 0366; MK 366; MK0366; MK366; AM-0715; AM-715; Chibroxin (TN); Insensye (TN); MK-0366; MK-366; Norflohexal (TN); Norfloxacine [INN-French]; Norfloxacino [INN-Spanish]; Norfloxacinum [INN-Latin]; Norfocin (TN); Noroxin (TN); Nufloxib (TN); Roxin (TN); Utin (TN); Utinor (TN); Apo-Norflox (TN); Norfloxacin (JP15/USP/INN); Norfloxacin [USAN:BAN:INN:JAN]; Chibroxin, MK-366, Baccidal, Sebercim, Zoroxin, Norfloxacin; 1,4-Dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid; 1-Ethyl-6-fluor-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-chinolincarbonsaeure; 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid; 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-[1-piperazinyl]-3-quinoline-carboxylic acid; 1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid; 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid; 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:100246	DB01059	DR01204	DR1176	319.33	C16H18FN3O3	72.9	519	-1	23	2	7	3	"1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)"	CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O	OGJPXUAPXNRGGI-UHFFFAOYSA-N
DG00241	Lenalidomide	216326	"Revamid; Revimid; Revlimid; Celgene brand of lenalidomide; Lenalidomide [USAN]; CC 5013; CC5013; CDC 501; IMiD3; IMiD3cpd; ALBB-015321; CC-5013; CDC-501; CDC-5013; ENMD-0997; IMID-5013; Revlimid (Celgene); Revlimid (TN); Thalidomide analog CC-5013; Lenalidomide (USAN/INN); CC-5013, Revlimid, Lenalidomide; 3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione; 3-(4-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione; 3-(7-Amino-3-oxo-1H-isoindol-2-yl)-piperidine-2,6-dione; 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione; Lenalidomide (Immunomodulator)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63791	DB00480	DR00261	.	259.26	C13H13N3O3	92.5	437	-0.5	19	2	4	1	"1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)"	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N
DG00242	Macrolides	5280440	Tylosin; tylosin tartrate; Tilosina; Tylosinum; UNII-YEF4JXN031; Tylosine; Tylocine; Tylan; Tylosin A; 1401-69-0; YEF4JXN031; Fradizine; CHEBI:17658; Vubityl 200; Tylosinum [INN-Latin]; Tylosine [INN-French]; Tilosina [INN-Spanish]; HSDB 7022; EINECS 215-754-8; AI3-29799; SR-05000002057; Tylosin [USP:INN:BAN]; Tylan (TN); Tylosin (USP/INN); AC1NQX0W	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17658	DB11475	.	.	916.1	C46H77NO17	239	1560	1	64	5	18	13	"1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1"	CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC	WBPYTXDJUQJLPQ-VMXQISHHSA-N
DG00244	Neratinib	9915743	Neratinib (ERBB2 inhibitor)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:61397	DB11828	.	DR1887	557	C30H29ClN6O3	112	881	4.9	40	2	8	11	"1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+"	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)/C=C/CN(C)C	JWNPDZNEKVCWMY-VQHVLOKHSA-N
DG00245	Amorolfine	54260	"Loceryl; Pekiron; MT-861; Amorolfine (cream, onychomycosis); Ro-14-4767; Amorolfine (cream, onychomycosis), Roche; Ro-14-4767/002"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:599440	DB09056	.	.	317.5	C21H35NO	12.5	336	5.7	23	0	2	6	"1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3/t16 ,17-,18+"	CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2C[C@H](O[C@H](C2)C)C	MQHLMHIZUIDKOO-AYHJJNSGSA-N
DG00246	Elvitegravir	5277135	EVG	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:72289	DB09101	.	DR0570	447.9	C23H23ClFNO5	87.1	702	5.3	31	2	7	7	"1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1"	CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O	JUZYLCPPVHEVSV-LJQANCHMSA-N
DG00247	Enzalutamide	15951529	MDV3100; Enzalutamide (AR inhibitor)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:68534	DB08899	.	DR0583	464.4	C21H16F4N4O2S	109	839	3.6	32	1	8	3	"1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)"	CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C	WXCXUHSOUPDCQV-UHFFFAOYSA-N
DG00248	Isoarnebin 4	479503	"Shikonin; NSC 252844; Shikonin S; Shikonin,(S); Tokyo Violet"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:81068	.	.	.	288.29	C16H16O5	94.8	501	3	21	3	5	3	"1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1"	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N
DG00249	Verapamil	2520	"Arpamyl; Calan; Calcan; Cordilox; Dexverapamil; Dilacoran; Drosteakard; Iproveratril; Isoptimo; Isoptin; Isotopin; Vasolan; Veracim; Verapamilo; Verapamilum; Veraptin; Verexamil; Bosoptin (TN); Calan (TN); D-365; Isoptin (TN); Verapamilo [INN-Spanish]; Verapamilum [INN-Latin]; Verelan (TN); CP-16533-1; Covera-HS (TN); Verapamil (USAN/INN); Verapamil [USAN:BAN:INN]; Verapamil [USAN:INN:BAN]; Alpha-((N-Methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile; Alpha-Isopropyl-alpha-((N-methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile; Alpha-(3-((2-(3,4-Dimethoxyphenyl)ethyl)-methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile; (+-)-Verapamil; (+/-)-VERAPAMIL; (1)-3-(3,4-Dimethoxyphenyl)-6-((5,6-dimethoxyphenethyl)methylamino)hexane-3-carbonitrile; 2-(3,4-Dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(1-methylethyl) pentanenitrile; 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile; 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile; 5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile; 5-[(3,4-Dimethoxyphenethyl)methylamino]-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile; Verapamil (Na-Ca chanel blocker)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:77733	DB00661	DR00264	.	454.6	C27H38N2O4	64	606	3.8	33	0	6	13	"1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3"	CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC	SGTNSNPWRIOYBX-UHFFFAOYSA-N
DG00250	Sunitinib	5329102	"Sunitanib; Sunitinibum; Sutent; PDGF TK antagonist; SU 11248; SU11248; KS-5022; SU-11248; SU-11248J; SU-12662; Su-011248; Sunitinib (INN); Sunitinib (free base); Sutent (TN); N-(2-diethylaminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide; N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide; 5-(5-FLUORO-2-OXO-1,2-DIHYDRO-INDOL-3-YLIDENEMETHYL)-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID (2-DIETHYLAMINO-ETHYL)-AMIDE; Sunitinib (Pan-TK inhibitor)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:38940	DB01268	DR00454	.	398.5	C22H27FN4O2	77.2	636	2.6	29	3	4	7	"1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-"	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N
DG00251	Clindamycin	446598	"Antirobe; CLDM; CLY; Chlolincocin; Chlorlincocin; Chlorodeoxylincomycin; Chlorolincomycin; Cleocin; ClindaDerm; Clindamicina; Clindamycine; Clindamycinum; Clinimycin; Dalacine; Klimicin; Sobelin; Zindaclin; Cleocin HCl; Cleocin T Gel; Cleocin T Lotion; Cleocin T Topical Solution; Clindamycine [French]; Dalacin C; Dalacin C Flavored Granules; Dalacin C Phosphate; Dalacin T Topical Solution; ResiDerm A; Klindan 300; U 21251; Cleocin (TN); Clindacin (TN); Clindamicina [INN-Spanish]; Clindamycin & Interleukin 12; Clindamycin & VRC3375; Clindamycine [INN-French]; Clindamycinum [INN-Latin]; Dalacin (TN); Evoclin (TN); U-21251; CLINDA & IL-12; Clindamycin (USAN/INN); Clindamycin [USAN:BAN:INN]; U-21,251; 7(S)-Chloro-7-deoxylincomycin; 7-CDL; 7-Chloro-7-deoxylincomycin; 7-Chlorolincomycin; 7-Deoxy-7(S)-chlorolincomycin"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01190	.	DR0340	425	C18H33ClN2O5S	128	502	2.2	27	4	7	7	"1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1"	CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl	KDLRVYVGXIQJDK-AWPVFWJPSA-N
DG00252	Penicillin	2349	"Cillin; Pentids; 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 3,3-Dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (Phenylmethyl)penicillin; 7005-30-3; NSC131815; (Phenylmethyl)penicillinic acid; 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; AC1L1DHC; AC1Q5UVJ; Penicilline G sodium salt; Oprea1_713794; Oprea1_861345; CHEMBL300052; SCHEMBL2109546; CTK2H5530"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01053	.	.	334.4	C16H18N2O4S	112	530	1.8	23	2	5	4	"1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)"	CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C	JGSARLDLIJGVTE-UHFFFAOYSA-N
DG00253	NVP-TAE684	16038120	"761439-42-3; NVP-TAE684; NVP-TAE 684; TAE684; TAE-684; 5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine; TAE684 (NVP-TAE684); TAE 684; UNII-EH1713MN4K; CHEMBL509032; EH1713MN4K; 5-Chloro-N2-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-2,4-pyrimidinediamine; C30H40ClN7O3S"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:91338	.	.	.	614.2	C30H40ClN7O3S	111	940	5.7	42	2	10	9	"1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)"	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N
DG00254	Mitoxantrone	4212	"DHAD; DHAQ; Dihydroxyanthraquinone; MIX; Misostol; Mitoxanthrone; Mitoxantron; Mitoxantrona; Mitoxantronum; Mitozantrone; DHAQ HCl; Mitoxantrone [INN]; Mitozantrone hydrochloride; Mitoxantrone 2HCl; Liposome Encapsulated Mitoxantrone (LEM); Misostol (TN); Mitoxantrona [INN-Spanish]; Mitoxantrone (INN); Mitoxantrone (free base); Mitoxantronum [INN-Latin]; Novantrone (TN); AN-584/42007670; Novantrone(R) (mitoxantrone for injection concentrate); DHAQ (*Diacetate salt*); MITOXANTRONE, Mitoxantrone Hydrochloride, Mitoxantrone dihydrochloride, MITOXANTHRONE HYDROCHLORIDE; MITOXANTRONE, 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)ANTHRA-9,10-QUINONE; 1,4-Bis(2-(2-hydroxyethylamino)ethyl)amino)-5,8-dihydroxyanthraquinone; 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE; 1,4-Dihydroxy-5,8-bis(2-((2-hydroxyethyl)amino)ethylamino)-9,10-anthracenedione; 1,4-Dihydroxy-5,8-bis(5-hydroxy-3-azapentylamino)anthrachinon; 1,4-Dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione; 1,4-Dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-9,10-anthracenedione; 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthra-9,10-quinone; 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione; 5,8-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)-1,4-dihydroxyanthraquinone; 9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-((2-hydroxyethyl)amino)ethyl)amino)-(9CI)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:50729	DB01204	DR00269	DR1102	444.5	C22H28N4O6	163	571	1	32	8	10	12	"1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2"	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N
DG00255	Leucovorin	135403648	.	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:15640	DB00650	DR00238	.	473.4	C20H23N7O7	216	911	-1.2	34	7	10	9	"1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12 ,13-/m0/s1"	C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	VVIAGPKUTFNRDU-ABLWVSNPSA-N
DG00256	Chlortetracycline	54675777	Aureomycin	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:27644	DB09093	.	.	478.9	C22H23ClN2O8	182	1010	-1.3	33	6	9	2	"1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1"	C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O	DHPRQBPJLMKORJ-XRNKAMNCSA-N
DG00257	Enoxacin	3229	"Almitil; Bactidan; Comprecin; Enoram; Enoxacine; Enoxacino; Enoxacinum; Enoxin; Enoxor; Flumark; Penetrex; Enoxacin Sesquihydrate; Enoxacine [French]; Enoxacino [Spanish]; Enoxacinum [Latin]; Faulding Brand of Enoxacin; Pierre Fabre Brand of Enoxacin Sesquihydrate; Rhone Poulenc Rorer Brand of Enoxacin Sesquihydrate; AT 2266; AT2266; CI919; CL23362; E0762; PD 107779; PD107779; AT-2266; Almitil (TN); Bactidan (TN); Bactidron (TN); Comprecin (TN); Enoksetin (TN); Enoxen (TN); Enoxin (TN); Enoxor (TN); Enroxil (TN); Flumark (TN); Gyramid (TN); PD-107779; Penetrex (TN); Rhone-Poulenc Rorer Brand of Enoxacin Sesquihydrate; Sesquihydrate, Enoxacin; Vinone (TN); Enoxacin (USAN/INN); Enoxacin [USAN:BAN:INN:JAN]; 1,8-Naphthyridine-3-carboxylic acid, 6-fluoro-1,4-dihydro-4-oxo-7-piperazinyl; 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine-3-carboxylic acid; 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-[1-piperazinyl]-1,8-naphthyridine-3-carboxylic acid; 1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid; 1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:157175	DB00467	DR01280	.	320.32	C15H17FN4O3	85.8	521	-0.2	23	2	8	3	"1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)"	CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O	IDYZIJYBMGIQMJ-UHFFFAOYSA-N
DG00258	Sulfamethoxazole	5329	"Sulfamethoxazole; 723-46-6; Gantanol; Sulphamethoxazole; Sulfisomezole; Sulfamethoxazol; Metoxal; Sulfamethylisoxazole; Simsinomin; Radonil; Sinomin; Sulphamethoxazol; 4-Amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide; Sulpha-methoxizole; Sulfamethalazole; Azo-gantanol; Sulphamethylisoxazole; Urobak; Sulfamethoxizole; 3-Sulfanilamido-5-methylisoxazole; Gantanol-DS; 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide; Bactrimel; Gamazole; Sulphisomezole; Sulfametoxazol; Solfametossazolo; Sulfamethoxazolum; Ro 4-2130; SMX; Septran; Sulphamethalazole; Trib; Solfametossazolo [DCIT]; Sulfamethoxazole sodium; MS 53; Sulphamethoxazole BP 98; ALBB-002089; Apo-Sulfamethoxazole; Bactrim (TN); Septra (TN); Septrin (TN); Sulfamethoxazolum [INN-Latin]; Sulfametoxazol [INN-Spanish]; Ro 6-2580/11; Ro-4-2130; Sulfamethoxazole [USAN:INN:JAN]; Sulfamethoxazole (JP15/USP/INN); N1-(5-Methyl-3-isoxazolyl)sulfanilamide; N1-(5-Methylisoxazol-3-yl)sulfanilamide; SULFAMETHOXAZOLE (8064-90-2 (TRIMETHOPRIM/SULFAMETHOXAZOLE); N'-(5-Methyl-3-isoxazole)sulfanilamide; N'-(5-Methyl-3-isoxazolyl)sulfanilamide; N'-(5-Methylisoxazol-3-yl)sulphanilamide; N(sup 1)-(5-Methyl-3-isoxazolyl)sulfanilamide; N(sup 1)-(5-Methyl-3-isoxazolyl)sulphanilamide; N(sup1)-(5-Methyl-3-isoxazolyl)sulfanilamide; Sulfanilamide, N1-(5-methyl-3-isoxazolyl)-(8CI); 3-(p-Aminophenylsulfonamido)-5-methylisoxazole; 3-(para-Aminophenylsulphonamido)-5-methylisoxazole; 3-Sulphanilamido-5-methylisoxazole; 4-Amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide; 4-Amino-N-[5-methyl-3-isoxazolyl]benzenesulfonamide; 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide; 5-Methyl-3-sulfanilamidoisoxazole; 5-Methyl-3-sulfanylamidoisoxazole; 5-Methyl-3-sulphanil-amidoisoxazole; Sulphameth oxazole"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9332	DB01015	DR01206	DR1511	253.28	C10H11N3O3S	107	346	0.9	17	2	6	3	"1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)"	CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N	JLKIGFTWXXRPMT-UHFFFAOYSA-N
DG00259	Demeclocycline	54680690	"Bioterciclin; Clortetrin; DMCT; DMCTC; Declomycin; Deganol; Demeclociclina; Demeclocyclinum; Demeclor; Demethylchlorotetracycline; Demethylchlortetracyclin; Demethylchlortetracycline; Demethylchlortetracyclinum; Demetraclin; Diuciclin; Ledermycin; Methylchlorotetracycline; Mexocine; Novotriclina; Perciclina; Sumaclina; Demeclocycline Monohydrochloride; Demethylchlortetracycline base; Ledermycin hydrochloride; RP 10192; DMCT (antibiotic); Declomycin (TN); Declostatin (TN); Demeclociclina [INN-Spanish]; Demeclocycline (USP); Demeclocycline [USAN:BAN]; Demeclocyclinum [INN-Latin]; Demethylchlortetracycline (JAN); Ledermycin (TN); Tri-demethylchlortetracycline; [4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha)]-7-chloro-4-(dimethylamino)1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide; (2E)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (2E,4S,4aS,5aS,6R,12aR)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (2E,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide; 2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; 6-Demethyl-7-chlorotetracycline; 6-Demethyl-7-chlortetracycline; 6-Demethylchlorotetracycline; 6-Demethylchlortetracycline; 6-Demetil-7-clorotetraciclina; 6-Demetil-7-clorotetraciclina [Italian]; 7-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide; 7-Chloro-4-dimethylamino-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide; 7-Chloro-6-demethyltetracycline"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4392	DB00618	.	.	464.9	C21H21ClN2O8	182	961	0.7	32	6	9	2	"1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-27,30,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14-,15-,21-/m0/s1"	CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](C4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O	GUXHBMASAHGULD-SEYHBJAFSA-N
DG00260	Betulinic acid	64971	"Betulinic acid; 472-15-1; Mairin; Betulic acid; NSC 113090; CCRIS 6748; 3-Hydroxylup-20(29)-en-28-oic acid; UNII-4G6A18707N; 3beta-Hydroxy-20(29)-lupaene-28-oic acid; EINECS 207-448-8; NSC677578; als-357; NSC 677578; CHEMBL269277; CHEBI:3087; 3beta-Hydroxy-lup-20(29)-en-28-oic acid; 4G6A18707N; Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3beta)-; AK-72848; Lupatic Acid; SMR000445624"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:3087	DB12480	.	.	456.7	C30H48O3	57.5	861	8.2	33	2	3	2	"1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1"	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O	QGJZLNKBHJESQX-FZFNOLFKSA-N
DG00261	Doxycycline	54671203	"Atridox; Azudoxat; DOXY; Deoxymykoin; Dossiciclina; Doxiciclina; Doxitard; Doxivetin; Doxycen; Doxychel; Doxycin; Doxycyclin; Doxycyclinum; Doxysol; Doxytec; Doxytetracycline; Hydramycin; Investin; Jenacyclin; Liviatin; Monodox; Oracea; Ronaxan; Spanor; Supracyclin; Vibramycin; Vibramycine; Vibravenos; DOXCYCLINE ANHYDROUS; DOXYCYCLINE CALCIUM; DOXYCYCLINE MONOHYDRATE; Dossiciclina [DCIT]; Doxiciclina [Italian]; Doxycycline anhydrous; Doxycycline hyclate; Vibramycin Novum; Alpha-Doxycycline; Alti-Doxycycline; Apo-Doxy; BMY-28689; BU-3839T; Doxiciclina [INN-Spanish]; Doxy-Caps; Doxy-Puren; Doxy-Tabs; Doxychel (TN); Doxycycline (INN); Doxycycline (TN); Doxycycline (anhydrous); Doxycycline (internal use); Doxycycline-Chinoin; Doxycyclinum [INN-Latin]; Novo-Doxylin; Nu-Doxycycline; Periostat (TN); Vibra-tabs; Alpha-6-Deoxyoxytetracycline; DMSC (*Fosfatex); Doxycycline (200mg/day) or Placebo; Monodox (*monohydrate); Vibramycin (*monohydrate); Vivox (*Hyclate); GS-3065 (*monohydrate); Alpha-6-Deoxy-5-hydroxytetracycline; (2E,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (2Z)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (2Z,4S,4aR,5S,5aR,6R)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide; 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4aR,5S,5aR,6R,12aS); 5-Hydroxy-alpha-6-deoxytetracycline; 6-Deoxyoxytetracycline; 6-Deoxytetracycline; 6-alpha-Deoxy-5-oxytetracycline; 6alpha-Deoxy-5-oxytetracycline"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:50845	DB00254	DR00666	DR0547	444.4	C22H24N2O8	182	956	-0.7	32	6	9	2	"1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1"	C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O	SGKRLCUYIXIAHR-AKNGSSGZSA-N
DG00262	Artemisinin	68827	"Arteannuin; Artemisine; Artemisinina; Artemisinine; Artemisininum; Artesin; Huanghuahaosu; Qinghaosu; Qinghosu; Quinghaosu; Artemisinin [INN]; Artemisinina [Spanish]; Artemisinine [French]; Artemisininum [Latin]; Qing Hau SU; Qing Hau Sau; Qing Hau Sau [Chinese]; Qinghaosu [Chinese]; Quing Hau Sau; Artemisinin (INN); Coartem, Artemisinin; Artemisia annua L., extract; GNF-PF-5671; GNF-Pf-5341; Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one; (+)-Arteannuin; (+)-Artemisinin; (3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyloctahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10(3H)-one; (3R,5aS,6R,8aS,9R,12S,12aR)-Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one; (5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyloctahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one; 1,5,9-trimethyl-(1R,4S,5R,9R,12S,13R)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one; 3,6,9-trimethyloctahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:223316	DB13132	.	.	282.33	C15H22O5	54	452	2.8	20	0	5	0	"1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1"	C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C	BLUAFEHZUWYNDE-NNWCWBAJSA-N
DG00263	Clofazimine	2794	"Clofazimine; 2030-63-9; Lamprene; Lampren; Chlofazimine; Clofazimina; Clofaziminum; Clofaziminum [INN-Latin]; B 663 (Pharmaceutical); Clofazimina [INN-Spanish]; B-663; NSC-141046; G 30320; UNII-D959AE5USF; B 663 (VAN); C27H22Cl2N4; 3-(p-Chloranilino)-10-(p-chlorphenyl)-2,10-dihydro-2-(isopropylimino)-phenazin; B 663; 3-(p-Chloroanilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)phenazine; 3-(p-Chloranilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)-phenazine; EINECS 217-980-2; CFZ; SMP2_000339; B 663, pharmaceutical; G-30320; Lamprene (TN); Liposome-encapsulated clofazimine; Clofazimine [USAN:INN:BAN]; G-30,320; Clofazimine (JAN/USP/INN); N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine; N,5-Bis(4-chlorophenyl)-3,5-dihydro-3-(isopropylimino)phenazin-2-amine; N,5-Bis(4-chlorophenyl)-3,5-dihydro-3-(1-methylethyl)imino)-2-phenazinamine; N,5-Bis(4-chlorophenyl)-3,5-dihydro-3-[(1-methylethyl)imino]-2-phenazinamine; N,5-bis(4-chlorophenyl)-3-(propan-2-ylimino)-3,5-dihydrophenazin-2-amine; (3Z)-N,5-bis(4-chlorophenyl)-3-[(1-methylethyl)imino]-3,5-dihydrophenazin-2-amine; 3-(p-Chloranilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)phenazine; 3-(p-Chloranilino)-10-(p-chlorphenyl)-2,10-dihydro-2-(isopropylimino)-phenazin [German]; Riminophenazine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3749	DB00845	DR00669	DR0346	473.4	C27H22Cl2N4	40	829	7.1	33	1	4	4	"1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3"	CC(C)N=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl	WDQPAMHFFCXSNU-UHFFFAOYSA-N
DG00264	Flucytosine	3366	"Alcobon; Ancobon; Ancotil; Ancotyl; Flucitosina; Flucystine; Flucytosin; Flucytosinum; Flucytosone; Fluocytosine; Fluorcytosine; Fluorocytosine; Flucitosina [DCIT]; F0321; LT00771985; Ancobon (TN); Flucytosinum [INN-Latin]; GL663142 & 5FC; Ro 2-9915; Ro 29915 E/265601; Ro-2-9915; Flucytosine (JP15/USP/INN); Flucytosine [USAN:INN:BAN:JAN]; Cytosine, 5-fluoro-(6CI,7CI,8CI); GL663142 & 4-Amino-5-fluoropyrimidin-2(1H)-one; 2(1H)-Pyrimidinone, 4-amino-5-fluoro-); 2-Hydroxy-4-amino-5-fluoropyrimidine; 4-Amino-5-fluoro-2(1H)-pyrimidinone; 4-Amino-5-fluoro-2-hydroxypyrimidine; 4-Amino-5-fluoro-2-hyroxypyrimidine; 4-Amino-5-fluoropyrimidin-2(1H)-one; 5-FC; 5-Flucytosine; 5-Fluorocystosine; 5-Fluorocytosin; 5-Fluorocytosine; 5-Fluorocytosine-6-3H; 5-Flurocytosine; 5-fluoro cytosine; 5987P; 6-Amino-2-oxo-5-fluoropyrimidine; 6-amino-5-fluoro-1H-pyrimidin-2-one; 9074P"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5100	DB01099	.	DR2287	129.09	C4H4FN3O	67.5	208	-0.9	9	2	3	0	"1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)"	C1=NC(=O)NC(=C1F)N	XRECTZIEBJDKEO-UHFFFAOYSA-N
DG00265	Hygromycin B	56928061	AC1NUSSH	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11520	.	.	527.5	C20H37N3O13	272	756	-6.6	36	11	16	6	"1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20 /m1/s1"	CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)OC4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N	GRRNUXAQVGOGFE-HUCHGKBZSA-N
DG00266	Bortezomib	387447	"179324-69-7; Velcade; Bortezomib (PS-341); UNII-69G8BD63PP; N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE; MLN-341; [(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid; [(1R)-3-Methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(pyrazinylcarbonyl)amino]propyl]amino]butyl]boronic acid; CHEMBL325041; 69G8BD63PP; Boronic acid,; DPBA; PROSCRIPT BORONIC ACID; LPD 341; LPD-341; VELCADE (TN); Velcade (TN); Pyz-Phe-boroLeu; Bortezomib(JAN/USAN/INN); Velcade, MG-341, PS-341, Bortezomib; N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide; Bortezomib (Proteasome inhibitor); Peptide boronate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:52717	DB00188	DR01331	DR0221	384.2	C19H25BN4O4	124	500	.	28	4	6	9	"1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1"	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N
DG00267	Methotrexate	126941	"Methotrexate; 1959/5/2; Rheumatrex; Amethopterin; Metatrexan; Hdmtx; Abitrexate; Mexate; Methylaminopterinum; Methotrexatum; Antifolan; Metotrexato; Methylaminopterin; MTX; (S)-2-(4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioic acid; Methotrexat; Amethopterine; Maxtrex; Rasuvo; L-Amethopterin; A-Methopterin; A-Methpterin; Amethopterin L-; Folex-Pfs; Methotrexat-Ebewe; N-Bismethylpteroylglutamic acid; Methotrexate, L-; Metotressato [DCIT]; Methotextrate; Mexate-Aq; [3H]methotrexate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:44185	DB00563	DR00082	DR1045	454.4	C20H22N8O5	211	704	-1.8	33	5	12	9	"1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1"	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N
DG00268	Calcitriol	5280453	"Calcitriol; Rocaltrol; 32222-06-3; Calcijex; Topitriol; 1alpha,25-Dihydroxyvitamin D3; Silkis; Soltriol; 1alpha,25-Dihydroxycholecalciferol; Calcitriolum; Dihydroxyvitamin D3; 1,25-DHCC; 1,25-Dihydroxyvitamin D; Vectical; 1,25-DIHYDROXYCHOLECALCIFEROL; 1,25-Dihydroxyvitamin D3; 1alpha,25-Dihydroxyvitamin D; 1-alpha,25-Dihydroxyvitamin D3; Calcitriolum [INN-Latin]; UNII-FXC9231JVH; 1alpha,25(OH)2D3; DN-101; 1,25-Dihydroxycholecaliferol; CCRIS 5522; Ro 21-5535; HSDB 3482; 1-alpha,25-Dihydroxycholecalciferol; EINECS 250-963-8; DN 101; Calcitriol (chemotherapy-induced alopecia); Calcitriol (chemotherapy-induced alopecia), Cytotech Labs; Calcitriol (API-31543, drug-induced alopecia), Cytotech Labs; 1alpha,25 dihydroxyvitamin D(3)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17823	DB00136	.	DR0260	416.6	C27H44O3	60.7	688	5.1	30	3	3	6	"1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1"	C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\\2[C@@]1(CCC/C2=C\\C=C/3\\C[C@H](C[C@@H](C3=C)O)O)C	GMRQFYUYWCNGIN-NKMMMXOESA-N
DG00269	Rilpivirine	6451164	"500287-72-9; TMC278; Edurant; TMC 278; UNII-FI96A8X663; R278474; TMC-278; 4-{[4-({4-[(E)-2-Cyanoethenyl]-2,6-Dimethylphenyl}amino)pyrimidin-2-Yl]amino}benzonitrile; CHEBI:68606; FI96A8X663; R 278474; 4-{[4-({4-[(E)-2-cyanovinyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile; (E)-4-((4-((4-(2-cyanovinyl)-2,6-dimethylphenyl)amino)pyrimidin-2-yl)amino)benzonitrile; (E)-4-(4-(4-(2-cyanovinyl)-2,6-dimethylphenylamino)pyrimidin-2-ylamino)benzonitrile; W-202888; RPV; Mu O-conotoxin"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:68606	DB08864	.	.	366.4	C22H18N6	97.4	607	4.5	28	2	6	5	"1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+"	CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)/C=C/C#N	YIBOMRUWOWDFLG-ONEGZZNKSA-N
DG00270	Alectinib	49806720	"1256580-46-7; CH5424802; CH 5424802; AF-802; Alecensa; UNII-LIJ4CT1Z3Y; AF 802; LIJ4CT1Z3Y; Alectinib (CH5424802); 9-ethyl-6,6-dimethyl-8-(4-morpholinopiperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile; CHEMBL1738797; AF802; 9-Ethyl-6,6-Dimethyl-8-[4-(Morpholin-4-Yl)piperidin-1-Yl]-11-Oxo-6,11-Dihydro-5h-Benzo[b]carbazole-3-Carbonitrile; 9-Ethyl-6,11-dihydro-6,6-dimethyl-8-[4-(4-morpholinyl)-1-piperidinyl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile; AK170451; C30H34N4O2; Alectinib; 9-ethyl-6,6-dimethyl-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:90936	DB11363	.	.	482.6	C30H34N4O2	72.4	867	5.2	36	1	5	3	"1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3"	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N
DG00271	Capsaicin	1548943	"Capsaicin (transdermal patch formulation, neuropathic pain)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3374	DB06774	.	DR0268	305.4	C18H27NO3	58.6	341	3.6	22	2	3	9	"1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+"	CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC	YKPUWZUDDOIDPM-SOFGYWHQSA-N
DG00272	Lopinavir	92727	AIDS032937; Aluvia (TN); Aluviran; Kaletra (TN); Koletra; LPV; Lopinavir (JAN/USAN/INN); Lopinavir [USAN:INN:BAN]; RS-346; A 157378; A 157378.0; A-157378-0; A-157378.0; ABT 157378; ABT 378; ABT-378; ABT-378	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31781	DB01601	DR00290	DR0976	628.8	C37H48N4O5	120	940	5.9	46	4	5	15	"1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1"	CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O	KJHKTHWMRKYKJE-SUGCFTRWSA-N
DG00273	Cisplatin	5702198	Abiplatin; Biocisplatinum; Briplatin; Cismaplat; Cisplatine; Cisplatino; Cisplatinum; Cisplatyl; Citoplationo; Lederplatin; Neoplatin; Plastin; Platamine; Platidiam; Platinoxan; Randa; Cis-DDP; Cis-Diamminedichloroplatinum; Peyrone's chloride; Peyrone's salt; Cis-Dichlorodiammineplatinum(II); Cis-[PtCl2(NH3)2]; Cis-diamminedichloridoplatinum(II); Trans-diamminedichloridoplatinum(II); (SP-4-1)-diamminedichloridoplatinum; (SP-4-1)-diamminedichloroplatinum; (SP-4-2)-diamminedichloridoplatinum; (SP-4-2)-diamminedichloroplatinum; Cisplatin (Chemotherapy)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00515	.	.	300.05	Cl2H6N2Pt	2	2.8	.	5	2	2	0	1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L
DG00274	Midazolam	4192	"Dazolam; Dormicum; Midanium; Midazolamum; Midosed; Versed; Midazolam Base; Dormicum (TN); Hypnovel (TN); Midacum (TN); Midazolamum [INN-Latin]; Ro 21-3981; Versed (TN); Midazolam (JAN/INN); Midazolam [INN:BAN:JAN]; 4H-Imidazo[1,5-a][1,4]benzodiazepine, 8-chloro-6-(2-fluoro-phenyl)-1-methyl-, (Z)-2-butenedioate; 8-Chlor-6-(2-fluorphenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepin; 8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine; 8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5a][1,4]benzodiazepine hydrochloride; 8-Chloro-6-(O-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]-benzodiazepine; 8-Chloro-6-(o-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6931	DB00683	DR00684	.	325.8	C18H13ClFN3	30.2	471	2.5	23	0	3	1	"1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3"	CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F	DDLIGBOFAVUZHB-UHFFFAOYSA-N
DG00275	Thalidomide	5426	"Algosediv; Asmadion; Asmaval; Bonbrain; Bonbrrin; Calmore; Calmorex; Contergan; Corronarobetin; Distaval; Distaxal; Distoval; Ectiluran; Enterosediv; Gastrinide; Glupan; Glutanon; Grippex; Hippuzon; Imidene; Isomin; Kedavon; Kevadon; Neaufatin; Neosedyn; Neosydyn; Nerosedyn; Neufatin; Neurodyn; Neurosedin; Neurosedym; Neurosedyn; Nevrodyn; Nibrol; Noctosediv; Noxodyn; Pangul; Pantosediv; Polygripan; Profarmil; Psycholiquid; Psychotablets; Quetimid; Quietoplex; Sandormin; Sedalis; Sedimide; Sedin; Sedisperil; Sedoval; Shinnibrol; Sleepan; Slipro; Softenil; Softenon; Synovir; Talargan; Talidomida; Talidomide; Talimol; Talismol; Talizer; Telagan; Telargan; Telargean; Tensival; Thaled; Thalidomidum; Thalin; Thalinette; Thalomid; Thalomide; Theophilcholine; Valgis; Valgraine; Yodomin; Celgene Brand of Thalidomide; Talidomide [DCIT]; Thalidomide Celgene; Thalidomide Pharmion; Asidon 3; ENMD 0995; IN1061; Thalidomine USP26; Alpha-Phthalimidoglutarimide; E-217; Imida-lab; Imidan (peyta); N-Phthalimidoglutamic acid imide; N-Phthaloylglutamimide; N-Phthalylglutamic acid imide; Poly-Giron; Predni-Sediv; Pro-Bam M; Pro-ban M; Sedalis sedi-lab; Shin-naito S; THALIDOMIDE (AIDS INITIATIVE); Talidomida [INN-Spanish]; Thaled (TN); Thalidomide (soluble form); Thalidomidum [INN-Latin]; Thalomid (TM); Thalomid (TN); Thalomid, Thalidomide; Alpha-N-Phthalylglutaramide; Thalidomide [USAN:INN:BAN]; Alpha-(N-Phthalimido)glutarimide; N-Phthalyl-glutaminsaeure-imid; N-Phthalyl-glutaminsaeure-imid [German]; Thalidomide (+ and-); Thalidomide (JAN/USP/INN); N-(2,6-Dioxo-3-piperidyl)phthalimide; (+)-Thalidomide; (+-)-Thalidomide; (+/-)-THALIDOMIDE; (inverted question mark)-Thalidomide; 2,6-Dioxo-3-phthalimidopiperidine; 3-Phthalimidoglutarimide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:74947	DB01041	DR00461	DR1572	258.23	C13H10N2O4	83.6	449	0.3	19	1	4	1	"1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)"	C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O	UEJJHQNACJXSKW-UHFFFAOYSA-N
DG00276	Trospium chloride	5284631	Regurin; Sanctura	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32270	DB00209	DR01284	.	428	C25H30ClNO3	46.5	553	.	30	1	4	5	"1S/C25H30NO3.ClH/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26;/h1-6,9-12,21-23,28H,7-8,13-18H2;1H/q+1;/p-1/t21-,22+,23 ;"	C1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-]	RVCSYOQWLPPAOA-DHWZJIOFSA-M
DG00277	Abexinostat	11749858	PCI-24781; 783355-60-2; ABEXINOSTAT; PCI 24781; CRA-024781; CRA 024781; UNII-IYO470654U; 3-((dimethylamino)methyl)-N-(2-(4-(hydroxycarbamoyl)phenoxy)ethyl)benzofuran-2-carboxamide; CRA-02478; Abexinostat(PCI-24781); PCI-24781 (Abexinostat); Abexinostat (PCI-24781); IYO470654U; 3-[(Dimethylamino)methyl]-N-[2-[4-[(hydroxyamino)carbonyl]phenoxy]ethyl]-2-benzofurancarboxamide; 3-((Dimethylamino)methyl)-N-(2-(4-(hydroxycarbamoyl)-phenoxy)ethyl)benzofuran-2-carboxamide	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:92223	DB12565	.	.	397.4	C21H23N3O5	104	550	2.2	29	3	6	8	"1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)"	CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)NO	MAUCONCHVWBMHK-UHFFFAOYSA-N
DG00278	Itraconazole	55283	"Canadiol; Hyphanox; ITCZ; ITZ; Intraconazole; Itraconazol; Itraconazolum; Itrizole; Oriconazole; Orungal; Prokanazol; Sempera; Spherazole; Sporal; Sporanos; Sporanox; Sporonox; Triasporn; Itraconazol [Spanish]; Itraconazole oral solution; Itraconazolum [Latin]; R 51211; Cis-Itraconazole; Itraconazole & Bovine Lactoferrin; Itraconazole & Nyotran; Itrizole (TN); R-51211; Sporanox (TN); Itraconazole & Nyotran(Liposomal Nystatin); Itraconazole (JAN/USAN); Oriconazole, R51211, Sporanox; Itraconazole [USAN:BAN:INN:JAN]; (+-)-1-sec-Butyl-4-(p-(4-(p-(((2R*,4S*)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazinyl)phenyl)-delta(sup 2)-1,2,4-triazolin-5-one; (1)-cis-4-(4-(4-(4-((2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2,4-dihydro-2-sec-butyl-3H-1,2,4-triazol-3-one; 2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one; 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one; 2-butan-2-yl-4-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one; 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one; 3H-1,2,4-Triazol-3-one, 4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-pipera-zinyl]phenyl]-2,4-dihydro-2-(1-methylpropyl); 4-(4-{4-[4-({[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}oxy)phenyl]piperazin-1-yl}phenyl)-2-(1-methylpropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6076	DB01167	.	.	705.6	C35H38Cl2N8O4	101	1120	5.7	49	0	9	11	"1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25 ,31-,35-/m0/s1"	CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5CO[C@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl	VHVPQPYKVGDNFY-ZPGVKDDISA-N
DG00279	Indinavir	5362440	"Crixivan; IDV; Indinavir [USAN]; L 735524; Crixivan (TM); Crixivan (TN); L-735 524; L-735524; MK-639; Propolis+Indinavir; RS-253; L-735,524; Indinavir, Sulfate (1:1); Indinavir (*1:1 Sulfate salt*); N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE; Propolis & 4-Hydroxy-N-(2-hydroxy-2,3-dihydro-1H-1-indanyl)-N'-(1,1-dimethylethyl)-2-phenylmethyl-5-[4-(3-pyridylmethyl)-1-piperzinyl]hexanediamide; (1(1S,2R),5(S))-2,3,5-Trideoxy-N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-5-(2-(((1,1-dimethylethyl)amino)carbonyl)-4-(3-pyridinylmethyl)-1-piperazinyl)-2-(phenylmethyl)-D-erythro-Pentonamide; (2S)-1-[(2S,4S)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:44032	DB00224	DR00299	.	613.8	C36H47N5O4	118	952	2.8	45	4	7	12	"1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1"	CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5	CBVCZFGXHXORBI-PXQQMZJSSA-N
DG00280	Dactolisib	11977753	"BEZ-235; S14-0511; NVP-BEZ-235; NVP-BEZ235, BEZ235; 2-(4-(2,3-dihydro-3-methyl-2-oxo-8-(quinolin-3-yl)imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:71952	DB11651	.	.	469.5	C30H23N5O	73.1	872	5.2	36	0	4	3	"1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3"	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N
DG00281	Beta-lapachone	3885	"ARQ 501; SL 11001; A-lapachone; LAPACHONE, BETA; AK-693/21096016; 2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione; 3,4-Dihydro-2,2-dimethyl-2H-naphtho(1,2-b)pyran-5,6-dione; 3,4-Dihydro-2,2-dimethyl-2H-naphtho[1,2-B]pyran-5,6-dione"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:10429	DB11948	.	DR1869	242.27	C15H14O3	43.4	445	2.2	18	0	3	0	"1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3"	CC1(CCC2=C(O1)C3=CC=CC=C3C(=O)C2=O)C	QZPQTZZNNJUOLS-UHFFFAOYSA-N
DG00282	Sorafenib	216239	Nexavar; Sorafenibum; Sorafenib [INN]; Nexavar (TN); Sorafenib (INN); N-[4-Chloro-3-(trifluoromethyl)phenyl]-N'-[4-[2-(N-methylcarbamoyl)-4-pyridyloxy]phenyl]urea; N-(4-Chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea; N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcar bamoyl)-4-pyridyloxy)phenyl)urea; 4(4-{3-[4-Chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)-N(sup 2)-methylpyridine-2-carboxamide; 4-(4-((((4-Chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-2-pyridinecarboxamide; 4-(4-(3-(4-chloro-3-trifluoromethylphenyl)ureido)phenoxy)pyridine-2-carboxyllic acid methyamide-4-methylbenzenesulfonate; 4-(4-{3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido}phenoxy)-N(sup 2)-methylpyridine-2-carboxamide; 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide; 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-pyridine-2-carboxamide; 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide; 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-methyl-2-pyridinecarboxamide; 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE; Sorafenib (Pan-TK inhibitor)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:50924	DB00398	DR00304	DR1500	464.8	C21H16ClF3N4O3	92.4	646	4.1	32	3	7	5	"1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)"	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N
DG00283	Cefpodoxime	6335986	"CPDX; Cefpodoxima; Cefpodoximum; Epoxim; Cefpodoxim acid; Cefpodoxima [Spanish]; Cefpodoximum [Latin]; RU 51807; Cefpodoxime (INN); Cefpodoxime [INN:BAN]; Epoxim (TN); Vantin (TN); (6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(methyloxy)imino]acetyl}amino)-3-[(methyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-{[(2-amino-1,3-thiazol-4-yl)(methoxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3504	DB01416	DR00974	DR2661	427.5	C15H17N5O6S2	210	744	-1.4	28	3	11	7	"1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1"	COCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\\OC)/C3=CSC(=N3)N)SC1)C(=O)O	WYUSVOMTXWRGEK-HBWVYFAYSA-N
DG00284	Alpelisib	56649450	"Alpelisib; 1217486-61-7; BYL-719; BYL719; UNII-08W5N2C97Q; BYL 719; Alpelisib (BYL719); (S)-N1-(4-Methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl)thiazol-2-yl)pyrrolidine-1,2-dicarboxamide; NVP-BYL719; (2S)-N1-[4-Methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-1,2-pyrrolidinedicarboxamide; CHEMBL2396661; 08W5N2C97Q; AK146107; C19H22F3N5O2S; (S)-N1-(4-Methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)-pyridin-4-yl)thiazol-2-yl)pyrrolidine-1,2-dicarboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:93752	DB12015	.	DR0074	441.5	C19H22F3N5O2S	129	663	3.2	30	2	8	4	"1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1"	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N
DG00285	Berberine	2353	"Berberine; 2086-83-1; Berberin; Umbellatine; UNII-0I8Y3P32UF; 0I8Y3P32UF; CHEBI:16118; EINECS 218-229-1; Berberal; BRN 3570374; ST055798; 9,10-Dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetrahydroberbinium; Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-; 9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium; Berbamine sulphate acid; CHEMBL12089; 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)berbinium; BERBINIUM, 7,8,13,13a-TETRAHYDRO-9,10-DIMETHOXY-2,3-(METHYLE"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16118	DB04115	DR00307	.	336.4	C20H18NO4+	40.8	488	3.6	25	0	4	2	"1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1"	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC	YBHILYKTIRIUTE-UHFFFAOYSA-N
DG00286	Vinblastine	13342	"Nincaluicolflastine; Rozevin; VLB; Vinblastin; Vinblastina; Vinblastinum; Vincaleucoblastin; Vincaleucoblastine; Vincaleukoblastine; Vincoblastine; Vinblastina [DCIT]; VR-8; Vinblastina (TN); Vinblastine (INN); Vinblastine [INN:BAN]; Vinblastinum [INN-Latin]; NDC 0002-1452-01; (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE; (2xi,3beta,4'beta,19xi)-vincaleukoblastine; 1H-Indolizino(8,1-cd)carbazole-5-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00570	DR00308	.	811	C46H58N4O9	154	1700	3.7	59	3	12	10	"1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1"	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N
DG00287	Saquinavir	441243	"Fortovase; Invirase; ROC; SQV; Saguinavir; Ro 318959; Fortovase (TN); Fortovase(TM); Invirase (TN); Ro 31-8959; Invirase(TM)(monomesylate); Ro-31-8959; Saquinavir (JAN/USP/INN); QNC-ASN-HPH-DIQ-NTB; CIS-N-TERT-BUTYL-DECAHYDRO-2-[2(R)-HYDROXY-4-PHENYL-3(S)-[[N-2-QUINOLYLCARBONYL-L-ASPARAGINYL]AMINO]BUTYL]-(4AS)-ISOQUINOLINE-3(S)-CARBOXAMIDE; (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide; (2s)-N-[(2s,3r)-4-[(2s,3s,4as,8as)-3-(Tert-Butylcarbamoyl)-3,4,4a,5,6,7,8,8a-Octahydro-1h-Isoquinolin-2-Yl]-3-Hydroxy-1-Phenyl-Butan-2-Yl]-2-(Quinolin-2-Ylcarbonylamino)butanediamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63621	DB01232	DR00309	.	670.8	C38H50N6O5	167	1140	4.2	49	5	7	13	"1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1"	CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O	QWAXKHKRTORLEM-UGJKXSETSA-N
DG00288	Cefdinir	6915944	"CFDN; Cefdinirum; Cefdinyl; Cefdirnir; Cefzon; Omnicef; BMY 28488; FK 482; PD 134393; Cefdinir [USAN:INN]; Cefdinirum [INN-Latin]; Cefzon (TN); FK-482; FR-80482; KS-1038; Omnicef (TN); PD-134393; Cefdinir (JP15/USAN/INN); Omnicef, FK-482, BMY-28488, PD 134393, CI-983, Cefdinir; (-)-(6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7(sup 2)-(Z)-oxime; (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-(2 (2-aminothiazol-4-yl)-2-hydroxyiminoacetamido)-3-vinyl-3-cephem-4-carboxylic acid; 7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetamido]-3-ethenyl-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3485	DB00535	DR00692	.	395.4	C14H13N5O5S2	212	739	0	26	4	10	5	"1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1"	C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\\O)/C3=CSC(=N3)N)SC1)C(=O)O	RTXOFQZKPXMALH-GHXIOONMSA-N
DG00289	I-BET151	52912189	GSK1210151A	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:95083	.	.	.	415.4	C23H21N5O3	93.4	665	2.7	31	1	6	4	"1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1"	CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)N=CC4=C3N(C(=O)N4)[C@H](C)C5=CC=CC=N5)OC	VUVUVNZRUGEAHB-CYBMUJFWSA-N
DG00290	Josamycin	5282165	"Josacine; Josamicina; Josamycine; Josamycinum; EN 141; Kitasamycin A3; Leucomycin A3; Turimycin A5; Antibiotic yl-704 A3; Iosalide (TN); Josacine (TN); Josalid (TN); Josamicina [INN-Spanish]; Josamina (TN); Josamy (TN); Josamycin (TN); Josamycine [INN-French]; Josamycinum [INN-Latin]; Wilprafen (TN); Yl-704 A3; Josamycin [USAN:INN:JAN]; Josamycin (JP15/USAN/INN); Dro-2H-pyran-3-yl 3-methylbutanoate; Leucomycin V, 3-acetate 4B-(3-methylbutanoate); Leucomycin V, 3-acetate 4(sup B)-(3-methylbutanoate); Leucomycin V,3-acetate 4(sup beta)-(3-methylbutanoate)"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:31739	DB01321	.	.	828	C42H69NO15	206	1390	2.9	58	3	16	14	"1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1"	C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O	XJSFLOJWULLJQS-NGVXBBESSA-N
DG00291	Coumermycin	54675768	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:3907	DB13912	.	.	1110.1	C55H59N5O20	347	2440	4.6	80	9	20	16	"1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52-,53-/m1/s1"	CC1=CC=C(N1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)OC3=C(C4=C(C=C3)C(=C(C(=O)O4)NC(=O)C5=CNC(=C5C)C(=O)NC6=C(C7=C(C(=C(C=C7)O[C@H]8[C@@H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)C9=CC=C(N9)C)O)C)OC6=O)O)O)C)O	WTIJXIZOODAMJT-DHFGXMAYSA-N
DG00292	Sulforaphane	5350	"Sulforafan; DL-Sulforaphane; 1-Isothiocyanato-4-(methylsulfinyl)butane; D,L-Sulforaphane; L-Sulforaphane; Sulforaphane (unspecified); R,S-Sulforaphane; C6H11NOS2; 1-isothiocyanato-4-methylsulfinylbutane; Sulforaphane Racemate; CCRIS 7221; 1-Isothiocyanato-4-(methylsulfinyl)-butane; Butane, 1-isothiocyanato-4-(methylsulfinyl)-; SUVMJBTUFCVSAD-UHFFFAOYSA-N; 4-(Methylsulfinyl)Butyl Isothiocyanate"	Phase 4	4	Approved Drug(s)	Phase 4	Small molecular drug	.	CHEBI:47807	DB12422	.	.	177.3	C6H11NOS2	80.7	152	1.4	10	0	4	5	"1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3"	CS(=O)CCCCN=C=S	SUVMJBTUFCVSAD-UHFFFAOYSA-N
DG00293	Chloramphenicol	5959	"Alficetyn; Ambofen; Amphenicol; Amphicol; Amseclor; Anacetin; Aquamycetin; Austracil; Austracol; Biocetin; Biophenicol; CAF; CLM; Catilan; Chemiceticol; Chemicetin; Chemicetina; Chlomin; Chlomycol; Chloramex; Chloramfenikol; Chloramficin; Chloramfilin; Chloramphenicolum; Chloramsaar; Chlorasol; Chloricol; Chlornitromycin; Chloroamphenicol; Chlorocaps; Chlorocid; Chlorocide; Chlorocol; Chlorofair; Chloromax; Chloromycetin; Chloromycetny; Chloromyxin; Chloronitrin; Chloroptic; Chlorovules; Chlorsig; Cidocetine; Ciplamycetin; Cloramfen; Cloramfenicol; Cloramfenicolo; Cloramficin; Cloramical; Cloramicol; Cloramidina; Cloranfenicol; Cloroamfenicolo; Clorocyn; Cloromisan; Cloromissan; Clorosintex; Comycetin; Cylphenicol; Desphen; Detreomycin; Detreomycine; Dextromycetin; Doctamicina; Duphenicol; Econochlor; Embacetin; Emetren; Enicol; Enteromycetin; Erbaplast; Ertilen; Farmicetina; Fenicol; Globenicol; Glorous; Halomycetin; Hortfenicol; Interomycetine; Intramycetin; Intramyctin; Isicetin; Ismicetina; Isophenicol; Juvamycetin; Kamaver; Kemicetina; Kemicetine; Kloramfenikol; Klorita; Laevomycetinum; Leukamycin; Leukomyan; Leukomycin; Levomicetina; Levomitsetin; Levomycetin; Loromicetina; Loromisan; Loromisin; Mastiphen; Mediamycetine; Medichol; Micloretin; Micochlorine; Micoclorina; Microcetina; Mychel; Mycinol; Myscel; Novochlorocap; Novomycetin; Novophenicol; Oftalent; Oleomycetin; Opclor; Opelor; Ophthochlor; Ophtochlor; Optomycin; Otachron; Otophen; Pantovernil; Paraxin; Pentamycetin; Quemicetina; Rivomycin; Romphenil; Ronfenil; Ronphenil; Septicol; Sificetina; Sintomicetina; Stanomycetin; Synthomycetin; Synthomycetine; Synthomycine; Syntomycin; Tevcocin; Tevcosin; Tifomycin; Tifomycine;Tiromycetin; Treomicetina; Unimycetin; Veticol; Viceton; Ch loramex; Chloramfenikol [Czech]; Chloramphenicol crystalline; Chlormycetin R; Chlorocid S; Chlorocidin C; Chlorocidin C tetran; Chloroject L; Chloromycetny [Polish]; Cloramfenicolo [DCIT]; Cloroamfenicolo [Italian]; F armicetina; Isopto fenicol; Klorocid S; Normimycin V; Sintomicetine R; Sno Phenicol; Vice ton; I 337A; Ak-chlor; Alficetyn (TN); Amphicol (TN); Biomicin (TN); Brochlor (TN); CAF (pharmaceutical); Cedoctine (TN); Chlora-tabs; Chloramex (TN); Chloramphenicol & VRC3375; Chloramphenicolum [INN-Latin]; Chlorbiotic (Veterinary); Chlornitromycin (TN); Chloro-25 vetag; Chloromycetin (TN); Chlorsig (TN); Cloramfenicol [INN-Spanish]; D-Chloramphenicol; Dispersadron C (TN); Econochlor (TN); Elase-Chloromycetin; Fenicol (TN); Golden Eye (TN); Isoptophenicol (TN); Kemicetine (TN); Laevomycetin (TN); Medicom (TN); Mychel-Vet; Nevimycin (TN); Oftan Chlora (TN); Optrex Infected Eyes (TN); Orchadexoline (TN); Phenicol (TN); Renicol (TN); Silmycetin (TN); Sno-Phenicol; Synthomycine (TN); Tea-Cetin; Tega-Cetin; Tifomycine (TN); U-6062; Vernacetin (TN); Veticol (TN); C.A.F; CHLOROPTIC S.O.P; Chloramphenicol [INN:BAN:JAN]; Chloromycetin® D-threo-Chloramphenicol; Alficetyn, Chlornitromycin, Chloromycetin, Chloramphenicol; Chloramphenicol (JP15/USP/INN); Chloroptic S.O.P.; D(-)-threo-Chloramphenicol; D-(-)-Chloramphenicol; D-(-)-threo-Chloramphenicol; D(-)-threo-2-dichloroacetamido-1-p-nitrophen yl-propanediol; D(-)-threo-2-dichloroacetamido-1-p-nitrophenyl-propanediol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17698	DB00446	DR00989	DR0298	323.13	C11H12Cl2N2O5	115	342	1.1	20	3	5	5	"1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1"	C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]	WIIZWVCIJKGZOK-RKDXNWHRSA-N
DG00294	Carboplatin	426756	"Azanide; Carbopaltin; Carboplatine; Carboplatino; Carboplatinum; Cbdca; Ercar; Paraplatin; Carboplatine [French]; Carboplatino [Spanish]; Carboplatinum [Latin]; C 2538; JM 8; Carboplatin (USAN); IUPAC: Azane; JM-8; Paraplatin (TN); Paraplatin, Carboplatin; Paraplatin-AQ; Cis-Diammine(cyclobutanedicarboxylato)platinumII; Platinum(+2) Cation; Carboplatin (JAN/USP/INN); Carboplatin [USAN:INN:BAN:JAN]; Cyclobutane-1,1-dicarboxylate; Cyclobutane-1,1-dicarboxylic acid; Diammine-1,1-cyclobutane dicarboxylate platinum II; Cis-Diamine[1,1-cyclobutanedicarboxylato]platinum(II); Cis-Diammine(1,1-cyclobutanedicarboxylato) platinum; Cis-Diammine(1,1-cyclobutanedicarboxylato)platinum; Cis-Diammine[1,1-cyclobutane-dicarboxylato] platinum; Diammine(1,1-cyclobutanedicarboxylato)platinum (II); Platinum, {diammine[1,1-cyclobut; Cis-(1,1-Cyclobutanedicarboxylato)diammineplatinum(II); Cis-Diamine(1,1-cyclobutanedicarboxylato)platinum(II); Cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II); Platinum(II), (1, 1-cyclobutanedicar; Diammine[cyclobutane-1,1-dicarboxylato(2-)-k2O1,O1]platinum; Diammine(cyclobutane-1,1-dicarboxylato(2-)-O,O')platinum; Platinum, diammine(1,1-cyclobutanedicarboxylato(2-)-O,O')-, (SP-4-2); (SP-4-2)-diammine[cyclobutane-1,1-dicarboxylato(2-)-kappa(2)O,O']platinum; 1,1-Cyclobutanedicarboxylate diammine platinum (II); 1,1-Cyclobutanedicarboxylate diammine platinum(II)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31355	DB00958	.	.	371.25	C6H12N2O4Pt	76.6	177	.	13	4	6	0	"1S/C6H8O4.2H2N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H2;/q;2*-1;+2"	C1CC(C1)(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2]	VSRXQHXAPYXROS-UHFFFAOYSA-N
DG00295	Benzoic acid	243	"Phenylformate; benzoate anion; Benzoic acid, ion(1-); 766-76-7; Benzeneformate; Tennplas; Phenylcarboxylate; Benzenemethanoate; Retarded BA; Benzenecarboxylate; Phenyl carboxylic acid; benzoic acid anion; Oracyclic acid; 4-Carboxybenzenide; Benzene formic acid; AC1Q1HDY; AC1Q22CA; AC1L18SS; GTPL4565; DTXSID4043771; CHEBI:16150; BDBM36181; CTK2H9612; WPYMKLBDIGXBTP-UHFFFAOYSA-M; STL483236; ZINC328578076; NCGC00247905-01; ZB000218; CJ-00025; LS-190261; 3230-EP2374454A1; 3230-EP2372017A1; 3230-EP2316825A1; 3230-EP2316457A1"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:30746	DB03793	.	.	122.12	C7H6O2	37.3	104	1.9	9	1	2	1	"1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)"	C1=CC=C(C=C1)C(=O)O	WPYMKLBDIGXBTP-UHFFFAOYSA-N
DG00296	Cefadroxil	47965	"CDX; Cefadroxilo; Cefadroxilum; Cephadroxil; Sumacef; Cefadroxil anhydrous; S 578; BL-S 578; BL-S578; Cefadroxil (JP15); Cefadroxilo [INN-Spanish]; Cefadroxilum [INN-Latin]; Curisafe (TN); D-Cefadroxil; S-578; Sumacef (TN); MJF-11567-3; (6R,7R)-7-((R)-2-Amino-2-(p-hydroxyphenyl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7beta-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3479	DB01140	DR00313	DR2413	363.4	C16H17N3O5S	158	629	-2.1	25	4	7	4	"1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1"	CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O	BOEGTKLJZSQCCD-UEKVPHQBSA-N
DG00297	Mitomycin	5746	"Mitomycin C; mitomycin C; 1950/7/7; Mutamycin; Ametycine; Mitocin-C; Ametycin; Mitomycin-C; Mytozytrex; Mitomycinum; Mytomycin; Mitozytrex; Mitomycinum C; Mitocin C; Mitomycins; Mitamycin; MMC; Mitosol; Mitomycyna C; 7-Amino-9alpha-methoxymitosane; NSC-26980; Mitomycyna C [Polish]; Mito-C; Mit-C; Mitomycin (TN); Mitomycinum [INN-Latin]; Mitomycine [INN-French]; Mitomicina [INN-Spanish]; NCI-C04706; RCRA waste number U010; NSC26980; NSC 26980; Mitomycine; CCRIS 414; UNII-50SG953SK6; HSDB 3239; C15H18N4O5; EINECS 200-008-6; Mitomycin C,; Ametycin; Mitomicina; Muamycin; Mitomycin C from Streptomyces caespitosus; Mitomycin C (JP15); Mitomycin C, Streptomyces caespitosus; Muamycin (TN); Mitomycin (USP/INN); Mitomycin [USAN:INN:BAN]; Mitomycin C, Streptomyces caespitosus, Carrier-Free"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:27504	DB00305	DR01212	.	334.33	C15H18N4O5	147	757	-0.4	24	3	8	4	"1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1"	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N
DG00299	Cefuroxime	5479529	"Anaptivan; Biociclin; Biofuroksym; Bioxima; CXM; Cefofix; Cefumax; Cefurex; Cefuril; Cefuroxim; Cefuroximesodium; Cefuroximine; Cefuroximo; Cefuroximum; Cephuroxime; Cetroxil; Colifossim; Curocef; Curoxim; Curoxima; Curoxime; Froxal; Furoxil; Kesint; Ketocef; Lifurox; Medoxim; Sharox; Spectrazolr; Ultroxim; Zinacef;CEFUROXIME AND DEXTROSE IN DUPLEX CONTAINER; CEFUROXIME SODIUM; Cefuroxim AJ; Cefuroxim Fresenius; Cefuroxim Genericsn; Cefuroxim Hexal; Cefuroxim Lilly; Cefuroxim MN; Cefuroxim Norcox; Cefuroxim curasan; Cefuroxima Fabra; Cefuroxima Richet; Cefuroxime for Injection and Dextrose for Injection in Duplex Container; Cefuroxime na; Cefuroxime sodium salt; KEFUROX IN PLASTIC CONTAINER; Sodium cefuroxime; ZINACEF IN PLASTIC CONTAINER; Zinacef Danmark; Ceftin (TN); Cefuroxim Norcox [inj.]; Cefuroxime (TN); Cefuroximo [INN-Spanish]; Cefuroximum [INN-Latin]; Cetroxil [inj.]; Froxal [inj.]; KS-1040; Sharox [inj.]; Zinacef (TN); Zinnat (TN); Zinnat [inj.]; Cefuroxime (USAN/INN); Cefuroxime [USAN:INN:BAN]; Cefuroxime sodium (JP15/USP); Cefuroxime sodium [USAN:BAN:JAN]; Sodium (6R-(6alpha,7beta(Z)))-3-(((aminocarbonyl)oxy)methyl)-7-(2-furyl(methoxyimino)acetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate; Sodium (6R,7R)-7-(2-(2-furyl)glyoxylamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, 7(sup 2)-(Z)-(O-methyloxime), carbamate (ester); (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-[(carbamoyloxy)methyl]-7-[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-(2-(2-Furyl)glyoxylamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid 7(sup 2)-(Z)-(O-methyloxime) carbamate (ester); 3-[(carbamoyloxy)methyl]-7beta-[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido]-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3515	DB01112	.	.	424.4	C16H16N4O8S	199	798	-0.2	29	3	10	8	"1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1"	CO/N=C(/C1=CC=CO1)\\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O	JFPVXVDWJQMJEE-IZRZKJBUSA-N
DG00300	Oxaliplatin	9887053	Eloxatin (TN); Medac (TN); Oxaliplatin (TN); Oxaliplatin (JAN/USAN/INN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00526	.	.	397.29	C8H14N2O4Pt	76.6	191	.	15	4	6	0	"1S/C6H12N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-8H,1-4H2;(H,3,4)(H,5,6);/q-2;;+2/t5-,6-;;/m1../s1"	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N
DG00301	Amikacin	37768	"Amicacin; Amikacina; Amikacine; Amikacinum; Amikavet; Amikin; Arikace; Briclin; Kaminax; Lukadin; Mikavir; AMIKACIN SULFATE; Amikacin Base; Amikacin Dihydrate; ANTIBIOTIC BB-K8; Amiglyde-V; Amikacin & Tumor Necrosis Factor; Amikacin (USP); Amikacina [INN-Spanish]; Amikacine [INN-French]; Amikacinum [INN-Latin]; Amikin(Disulfate); Antibiotic BB-K 8; BB-K 8; BB-K8; Amiglyde-V (TN); Amikacin (USP/INN); Amikacin [USAN:BAN:INN]; O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1-6))-N(sup 3)-(4-amino-L-2-hydroxybutyryl)-2-deoxy-L-streptamine; O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->6))-N(3)-(4-amino-L-2-hydroxybutyryl)-2-deoxy-L-streptamine; O-3-Amino-3-deoxy-.alpha.-D-glucopyranosyl-(1->6)-O-[6-amino-6-deoxy-.alpha.-D-glucopyranosyl-(1->4)]-1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-D-streptamine; (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-4-(6-amino-6-deoxy-alpha-D-glucopyranosyloxy)-3-hydroxycyclohexyl]-2-hydroxybutanamide; (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide; (2S)-4-amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-4-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide; 1-N-(L(-)-gamma-Amino-alpha-hydroxybutyryl)kanamycin A"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2637	DB00479	.	DR2167	585.6	C22H43N5O13	332	819	-7.9	40	13	17	10	"1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1"	C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N	LKCWBDHBTVXHDL-RMDFUYIESA-N
DG00302	Ge2270a	16129640	GE 2770; GE-2270; 134861-34-0; SCHEMBL12519961; CHEBI:29584; LS-187584; LS-186934	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:29584	DB02975	.	.	1290.5	C56H55N15O10S6	520	2530	3.3	87	7	24	11	"1S/C56H55N15O10S6/c1-24(2)39-55-70-42(36(87-55)19-80-5)47(77)59-17-38(73)67-43(44(74)26-10-7-6-8-11-26)54-66-34(23-85-54)52-63-31(20-83-52)41-27(50-64-32(21-82-50)46(76)61-29(16-37(72)58-4)53-69-40(25(3)86-53)48(78)68-39)13-14-28(60-41)51-65-33(22-84-51)49-62-30(18-81-49)56(79)71-15-9-12-35(71)45(57)75/h6-8,10-11,13-14,20-24,29-30,35,39,43-44,74H,9,12,15-19H2,1-5H3,(H2,57,75)(H,58,72)(H,59,77)(H,61,76)(H,67,73)(H,68,78)"	CC1=C2C(=O)NC(C3=NC(=C(S3)COC)C(=O)NCC(=O)NC(C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)C8=NC(CO8)C(=O)N9CCCC9C(=O)N)C3=NC(=CS3)C(=O)NC(C(=N2)S1)CC(=O)NC)C(C1=CC=CC=C1)O)C(C)C	JMDULECOHIXMNX-UHFFFAOYSA-N
DG00303	Roxithromycin	6915744	"Assoral; Overall; RXM; Rossitrol; Roxithromycine; Roxithromycinum; Roxitromicina; Rulid; Rulide; Surlid; Roxithromycine [French]; Roxithromycinum [Latin]; Roxitromicina [Spanish]; RC2952; RU 28965; RU 965; Biaxsig (TN); Coroxin (TN); RU-28965; RU-965; Roxar (TN); Roximycin (TN); Roxithromycin & Tumor Necrosis Factor; Roxo (TN); Rulide (TN); Surlid (TN); Tirabicin (TN); Roxithromycin [USAN:INN:JAN]; Roxl-150 (TN); Roxithromycin (JP15/USAN/INN); Erythromycin 9-(-O-[2-methoxyethoxy]methyloxime);Erythromycin 9-(O-((2-methoxyethoxy)methyl)oxime); Erythromycin, 9-(O-((2-methoxyethoxy)methyl)oxime); 9-(O-((2-Methoxyethoxy)methyl)oxime)erythromycin; 9-[O-(2-methoxyethoxymethyl)-oxime] of erythromycin"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:48935	DB00778	DR00708	DR1448	837	C41H76N2O15	217	1310	3.1	58	5	17	13	"1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1"	CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O	RXZBMPWDPOLZGW-XMRMVWPWSA-N
DG00304	Pemetrexed	135410875	"Alimta; LYA; LY 231514; LY231514; Alimta (TN); LY 231,514; LY-2315; LY-231514; Pemetrexed (INN); Pemetrexed [INN:BAN]; LY-231,514; N-(4-(2-(2-Amino-3,4-dihydro-4-oxo-7H-pyrrolo(2,3-d)pyrimdin-5-yl)ethyl)benzoyl)glutamic acid; N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-d-glutamic acid; (2R)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid; (2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid; 2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid; 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63616	DB00642	DR00318	.	427.4	C20H21N5O6	187	748	0.2	31	6	7	9	"1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1"	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N
DG00305	Dacarbazine	135398738	"Biocarbazin; Biocarbazine; DTIC; DTICDome; DTIE; Dacarbazino; Dacarbazinum; Dacatic; Decarbazine; Deticene; Dimethyltriazenoimidazolecarboxamide; ICDMT; ICDT; Biocarbazine R; DTIC Dome; Dimethyl Imidazole Carboxamide; Dimethyl Triazeno Imidazole Carboxamide; Imidazole carboxamide; HE1150000; Carboxamide (TN); Carboxamide, Dimethyl Imidazole; DIC (TN); DTIC (TN); DTIC-Dome; Dacarbazino [INN-Spanish]; Dacarbazinum [INN-Latin]; Imidazole (TN); Imidazole Carboxamide, Dimethyl; NPFAPI-05; DTIC-Dome (TN); Di-me-triazenoimidazolecarboxamide; Di-methyl-triazenoimidazolecarboxamide; Dtic-Dome (TN); DTIC, DTIC-Dome, Dacarbazine; Dacarbazine (JAN/USP/INN); Dacarbazine [USAN:INN:BAN:JAN]; (5E)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide; (5Z)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide; (Dimethyltriazeno)imidazolecarboxamide; 4(5)-(3,3-Dimethyl-1-triazeno)imidazole-4-carboxamide; 4(5)-(3,3-Dimethyl-1-triazeno)imidazole-5(4)-carboxamide; 4-(3,3-Dimethyl-1-triazeno)imidazole-5-carboxamide; 4-(3,3-Dimethyltriazeno)imidazole-5-carboxamide; 4-(5)-(3,3-Dimethyl-1-triazeno)imidazole-5(4)-carboxamide; 4-(Dimethyltriazeno)imidazole-5-c arboxamide; 4-(Dimethyltriazeno)imidazole-5-carboxamide; 4-(or 5)-(3,3-Dimethyl-1-triazeno)imidazole-5(or 4)-carboxamide; 4-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-1H-imidazole-5-carboxamide; 4-[3,3-dimethyltriaz-1-en-1-yl]-1H-imidazole-5-carboxamide; 5(or 4)-(dimethyltriazeno)imidazol e-4(or 5)-carboxamide; 5(or 4)-(dimethyltriazeno)imidazole-4(or 5)-carboxamide; 5-(3,3-Dimethyl-1-triazeno)imidazole-4-carboxamide; 5-(3,3-Dimethyl-1-triazenyl)-1H-imidazole-4-carboxamide; 5-(3,3-Dimethyl-1-triazenyl)imidazole-4-carboxamide; 5-(3,3-Dimethyltri azeno)imidazole-4-carboxamide; 5-(3,3-Dimethyltriazeno)-imidazole-4-carbamide; 5-(3,3-Dimethyltriazeno)imidazole-4-carboxamide; 5-(3,3-dimethyltriaz-1-en-1-yl)-1H-imidazole-4-carboxamide; 5-(Dimethyltriazeno)-4-imidazolecarboxamide; 5-(Dimethyltriazeno)imidazole-4-carboxamide; 5-(Dimethyltriazeno)imidazole-4-carboximide; 5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide; 5-[3,3-Dimethyl-1-triazenyl]imidazole-4-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94587	DB00851	.	DR0404	182.18	C6H10N6O	99.7	215	-0.6	13	2	5	3	"1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+"	CN(C)/N=N/C1=C(NC=N1)C(=O)N	FDKXTQMXEQVLRF-ZHACJKMWSA-N
DG00306	Vemurafenib	42611257	PLX4032; RG7204; RO5185426; Zelboraf (TN); Vemurafenib (BRAF inhibitor)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63637	DB08881	DR00711	DR1677	489.9	C23H18ClF2N3O3S	100	790	5	33	2	7	7	"1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)"	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F	GPXBXXGIAQBQNI-UHFFFAOYSA-N
DG00308	Ampicillin	6249	"ABPC; Acillin; Adobacillin; Alpen; Amblosin; Amcill; Amfipen; Aminobenzylpenicillin; Ampen; Ampichel; Ampicil; Ampicilina; Ampicillanyl; Ampicillina; Ampicilline; Ampicillinum; Ampicin; Ampifarm; Ampikel; Ampimed; Ampipenin; Ampiscel; Ampisyn; Ampivax; Ampivet; Amplacilina; Amplin; Amplipenyl; Amplisom; Amplital; Austrapen; Binotal; Bonapicillin; Britacil; Campicillin; Cimex; Copharcilin; Delcillin; Deripen; Divercillin; Doktacillin; Duphacillin; Grampenil; Guicitrina; Guicitrine; Lifeampil; Morepen; Norobrittin; Nuvapen; Omnipen; Orbicilina; Penbristol; Penbritin; Penbrock; Penicline; Penimic; Pensyn; Pentrex; Pentrexl; Pentrexyl; Polycillin; Ponecil; Princillin; Principen; QIDamp; Racenacillin; Rosampline;Roscillin; Semicillin; Servicillin; Sumipanto; Supen; Synpenin; Texcillin; Tokiocillin; Tolomol; Totacillin; Totalciclina; Totapen; Trifacilina; Ukapen; Ultrabion; Ultrabron; Vampen; Viccillin; Wypicil; Amfipen V; Amipenix S; Ampicillin A; Ampicillin Anhydrous; Ampicillin Base; Ampicillin acid; Ampicillin anhydrate; Ampicillina [DCIT]; Anhydrous ampicillin; Olin Kid; Pen A; Pen A Oral; Pen Ampil;Penbritin paediatric; Penbritin syrup; Pfizerpen A; Semicillin R; Viccillin S; AY 6108; BA 7305; BRL 1341; Bayer 5427; HI 63; P 50; Principen 125; Principen 250; Principen 500; SQ 17382; AB-PC; AB-PCSol; AY-6108; Ambidrin (TN); Ampi-Co; Ampi-Tab; Ampi-bol; Ampicilina [INN-Spanish]; Ampicilline [INN-French]; Ampicillinum [INN-Latin]; Ampipenin, nt3; Ampy-Penyl; Anhydrous ampicillin (JP15); BRL-1341; D-Ampicillin; D-Cillin; KS-R1; Novo-ampicillin; OMNIPEN (AMPICILLIN); Omnipen (TN); Omnipen-N; P-50; Penbritin-S; Penicillin, Aminobenzyl; Pfizerpen-A; Polycillin-N; Polyflex (Veterinary); Ro-Ampen; SK-Ampicillin; Totacillin (sodium); Totacillin-N; WY-5103; Ampicillin (USP/INN); AMPICILLIN (SEE ALSO AMPICILLIN TRIHYDRATE 7177-48-2); Ampicillin [USAN:BAN:INN:JAN]; Ampicillin [USAN:INN:BAN:JAN];D-(-)-Ampicillin; D-(-)-alpha-Aminobenzylpenicillin; D-(-)-alpha-Aminopenicillin; D-(-)-6-(alpha-Aminophenylacetamido)penicillanic acid; 6-(D(-)-alpha-Aminophenylacetamido)penicillanic acid; 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carbonyl; 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28971	DB00415	DR00712	DR2177	349.4	C16H19N3O4S	138	562	-1.1	24	3	6	4	"1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C	AVKUERGKIZMTKX-NJBDSQKTSA-N
DG00309	Canertinib	156414	"Canertinib; Canertinib HCl; Canertinib dihydrochloride; Canertinib dihydrochloride [USAN]; CI1033; PD 183805; Canertinib dihydrochloride (USAN); PD-0183805; PD-183805; Canertinib, PD-183805, CI1033, PD183805; N-[4-(3-Chloro-4-fluorophenylamino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]acrylamide dihydrochloride; N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[3-(4-morpholinyl)propoxy]-6-quinazolinyl]-2-propenamide dihydrochloride; N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide; N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide dihydrochloride; N-(4-(3-chloro-4-fluorophenyl)amino)-7-(3-morpholin-4-yl)propoxy)quinazolin-6-yl)prop-2-enamide dihydrochloride; N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[3-(morpholin-4-yl)propoxy]quinazolin-6-yl}prop-2-enamide; N-(4-((3-Chloro-4-fluorophenyl)amino)-7-(3-(morpholin-4-yl)propoxy)quinazolin-6-yl)prop-2-enamide; 2-Propenamide, N-(4-((3-chloro-4-fluorophenyl) amino)-7-(3-(4-morpholinyl) propoxy)-6-quinazolinyl)-, dihydrochloride; 2-Propenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-(4-morpholinyl)propoxy)-6-quinazolinyl)-, dihydrochloride"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:61399	DB05424	.	.	485.9	C24H25ClFN5O3	88.6	671	3.9	34	2	8	9	"1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)"	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N
DG00310	Kanamycin	6032	"Aspidium; KAN; Kanamicina; Kanamycine; Kanamycinum; Kantrex; Klebcil; KANAMYCIN A; Kanamicina [Italian]; Kanamycin A tetracation; Kanamycin Base; Kanamycin monosulfate; Kanamycin sulfate; Kenamycin A; Liposomal Kanamycin; KM (the Antibiotic); Kanamycin [INN:BAN]; Kanamycin monosulfate (JP15); Kanamycinsulfate (JP15); Kanamycin sulfate (TN); Kanamycin sulfate (USP); Kanamycine [INN-French]; Kanamycinum [INN-Latin]; Kantrex (TN); Kantrex (1:1 sulfate); Klebcil (1:1 sulfate); O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->6)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->4))-2-deoxy-D-streptamine; O-3-Amino-3-deoxy-.alpha.-D-glucopyranosyl-(1->6)-O-[6-amino-6-deoxy-.alpha.-D-glucopyranosyl-(1->4)]-2-deoxy-D-streptamine; (1S,2R,3R,4S,6R)-4,6-diamino-3-(6-amino-6-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside; (1S,2R,3R,4S,6R)-4,6-diamino-3-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside; (1S,2R,3R,4S,6R)-4,6-diazaniumyl-3-(6-azaniumyl-6-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 3-azaniumyl-3-deoxy-alpha-D-glucopyranoside; (2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol; 4,6-Diamino-2-hydroxy-1,3-cyclohexane 3,6'diamino-3,6'-dideoxydi-alpha-D-glucoside; 4,6-diamino-2-hydroxy-1,3-cyclohexylene 3,6'-diamino-3,6'-dideoxydi-D-glucopyranoside"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17630	DB01172	.	DR2175	484.5	C18H36N4O11	283	638	-6.9	33	11	15	6	"1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1"	C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N	SBUJHOSQTJFQJX-NOAMYHISSA-N
DG00311	Cefprozil	5281006	"Arzimol; Brisoral; Cefprozilo; Cefprozilum; Cefzil; Cronocef; Procef; Serozil; Cefprozil anhydrous; BMY 28100; Cefprozil (INN); Cefprozil (TN); Cefprozilo [INN-Spanish]; Cefprozilum [INN-Latin]; Cefzil (TN); Procef (TN); (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-8-oxo-3-(prop-1-en-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3506	DB01150	.	.	389.4	C18H19N3O5S	158	699	-1.4	27	4	7	5	"1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/b3-2+/t12-,13-,17-/m1/s1"	C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O	WDLWHQDACQUCJR-ZAMMOSSLSA-N
DG00312	Clozapine	135398737	"Asaleptin; CLOZARIL; Clorazil; Clozapin; Clozapina; Clozapinum; Fazaclo; Iprox; Leponex; Lepotex; Fazaclo ODT; C 6305; HF1854; Clopine (TN); Clozapina [INN-Spanish]; Clozapine(tautomer); Clozapinum [INN-Latin]; Clozaril (TN); Denzapine (TN); Fazaclo (TN); Froidir (TN); HF-1854; KS-1166; Klozapol (TN); LEX-123; LX 100-129; Leponex (TN); W-801; Zaponex (TN); Clozapine [USAN:INN:BAN]; Clozapine (JAN/USP/INN); 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine; 8-Chloro-11-(4-methyl)-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine; 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo (b,e)(1,4)diazepine; 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine; 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]-diazepine; 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine; 8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3766	DB00363	DR00474	DR0363	326.8	C18H19ClN4	30.9	446	3.1	23	1	3	1	"1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3"	CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42	QZUDBNBUXVUHMW-UHFFFAOYSA-N
DG00313	Clarithromycin	84029	"Abbotic; Adel; Astromen; Biaxin; Bicrolid; CTY; Clacine; Clambiotic; Claribid; Claricide; Clarith; Clarithromycina; Clarithromycine; Clarithromycinum; Claritromicina; Clathromycin; Cyllid; Cyllind; Helas; Heliclar; Klacid; Klaciped; Klaricid; Klarid; Klarin; Klax; Kofron; Mabicrol; Macladin; Maclar; Mavid; Naxy;Veclam; Zeclar; Biaxin HP; Biaxin XL; Biaxin filmtab; Biaxin xl filmtab; Clarithromycin extended release; Clarithromycin suspension or tablets; Klaricid Pediatric; Klaricid XL; TE031; A-56268; ANX-015; Abbott-56268; Biaxin (TN); Clacid (TN); Claridar (TN); Claripen (TN); Clarithromycine [INN-French]; Clarithromycinum [INN-Latin]; Claritromicina [INN-Spanish]; Crixan (TN); DRG-0099; Fromilid (TN);Infex (TN); Klabax (TN); Klaricid (TN); Klaricid H.P; Lactoferrin B & Clarithromycin; Lactoferrin H & Clarithromycin; SDP-015; TE-031; Vikrol (TN); CLM & IL-12; CRL-1605 & Clarithromycin; Clarithromycin & Interleukin-12; Klaricid H.P.; O(6)-methylerythromycin; Clarithromycin (JP15/USP/INN); Clarithromycin [USAN:INN:BAN:JAN]; Hydro-2H-pyran-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexame; (14R)-14-Hydroxyclarithromycin; 6-O-Methylerythromycin; 6-O-Methylerythromycin a"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3732	DB01211	DR00713	DR0336	748	C38H69NO13	183	1190	3.2	52	4	14	8	"1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1"	CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O	AGOYDEPGAOXOCK-KCBOHYOISA-N
DG00314	Mitotane	4211	"Chloditan; Chlodithan; Chlodithane; Khloditan; Khlodithan; Lysodren; Mitotan; Mitotano; Mitotanum; Mytotan; Bristol Myers Squibb Brand of Mitotane; C 3010; CB 313; CB313; PS694_SUPELCO; Bristol-Myers Squibb Brand of Mitotane; CB-313; Lysodren (TN); Mitotano [INN-Spanish]; Mitotanum [INN-Latin]; Ortho,para DDD; Mitotane [USAN:INN:JAN]; O,p-DDD; O,p-Tde; Ortho,para-DDD; Mitotane (JAN/USP/INN); O,p'-DDD; O,p'-Dichlorodiphenyldichloroethane; O,p'-TDE; Ethane, 1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-(8CI); (+-)-1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane; (2,4'-Dichlorodiphenyl)dichloroethane; (o,p)-DDD; 1,1-Dichloro-2,2-bis(2,4'-dichlorophenyl)ethane; 1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane; 1,1-Dichloro-2-(p-chlorophenyl)-2-(o-chlorophenyl)ethane; 1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane; 1-Chloro-2-(2,2-dichloro-1-(4-chlorophenyl)ethyl)benzene; 1-Chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene; 2,2-Bis(2-chlorophenyl-4-chlorophenyl)-1,1-dichloroethane; 2,4'-Ddd; 2,4'-Dichlorodiphenyldichloroethane; 2,4'-Dichlorophenyldichlorethane; 2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane; 2-(o-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6954	DB00648	.	.	320	C14H10Cl4	0	248	6.2	18	0	0	3	"1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H"	C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl	JWBOIMRXGHLCPP-UHFFFAOYSA-N
DG00315	Stavudine	18283	"DdeThd; DdeTyd; Dideoxydidehydrothymidine; Estavudina; STV; Sanilvudine; Stavudinum; Zent; Zerit; Zerit Xr; Zerut XR; BMY 27857; BMY27857; D 1413; D 4T; BMY-27857; Bristol-Myers Brand of Stavudine; Bristol-Myers Squibb Brand of Stavudine; D 4T (nucleoside); Estavudina [INN-Spanish]; Sanilvudine (JAN); Stavudine, Monosodium Salt; Stavudinum [INN-Latin]; Zerit (TN); Zerit(TM); D4T & GM-CSF; D4TMBY-27857-3; Stavudine (USAN/INN); Stavudine [USAN:BAN:INN]; Stavudine [USAN:INN:BAN]; Thymine, 1-(2,3-dideoxy-beta-D-glycero-pent-2-enofuranosyl)-(7CI,8CI); 1-(2,3-Dideoxy-beta-D-glycero-2-pentenofuranosyl)thymine; 1-(2,3-Dideoxy-beta-D-glycero-pent-2-enofuranosyl)thymine; 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione; 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione; 1-[5-(hydroxymethyl)-2,5-dihydro-2-furanyl]-5-methyl-2,4(1H,3H)-pyrimidinedione & Colony-stimulating factor 2; 2',3' Didehydro 3' deoxythymidine; 2',3'-Anhydrothymidine; 2',3'-DIDEHYDRO-3'-DEOXYTHYMIDINE (DDI); 2',3'-Didehydro-2',3'-dideoxythmidine; 2',3'-Didehydro-3'-deoxythimidine; 2',3'-Didehydro-3'-deoxythymidine; 3'-Azido-3'-deoxythymidine & Granulocyte-macrophage colony-stimulating factor; 3'-Deoxy-2',3'-didehydrothymidine; 3'-Deoxy-2'-thymidinene; D4T"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63581	DB00649	.	.	224.21	C10H12N2O4	78.9	388	-0.8	16	2	4	2	"1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1"	CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO	XNKLLVCARDGLGL-JGVFFNPUSA-N
DG00316	Tyrphostin AG-1478	2051	"AG-1478; 153436-53-4; Tyrphostin AG 1478; N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine; 175178-82-2; Tyrphostin AG-1478; 4-(3-Chloroanilino)-6,7-dimethoxyquinazoline; AG 1478; AG1478; TYRPHOSTIN; 4-Quinazolinamine, N-(3-chlorophenyl)-6,7-dimethoxy-; UNII-SUH0SEZ9HY; SUH0SEZ9HY; AG-1478 hydrochloride; AG-1478 (Tyrphostin AG-1478); CHEMBL7917; CHEBI:75404; N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine; NSC-693255; AK-63142; N-(3-chlorophenyl)-6,7-dimethoxy-quinazolin-4-amine; BRD6408; BRD-6408; SR-01000076156; NSC693255"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:75404	.	DR01471	.	315.75	C16H14ClN3O2	56.3	360	4	22	1	5	4	"1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)"	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC	GFNNBHLJANVSQV-UHFFFAOYSA-N
DG00317	Monastrol	2987927	"Monastrol; 329689-23-8; 254753-54-3; ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE; 4-(3-Hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4H-pyrimidin-5-carboxylic Acid Ethyl Ester; CHEBI:75382; ( inverted exclamation markA)-Monastrol; SR-01000357662; AC1MGLGQ; Probes2_000257; Probes2_000376; Probes1_000312; Probes1_000042; Probes1_000001; Oprea1_487786; Lopac0_000821; KBioSS_000613; CBDivE_015834; KBioGR_000613; BSPBio_001273; MLS006011746; SCHEMBL3168349; KBio3_001085; KBio2_000613"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:75382	DB04331	.	.	292.36	C14H16N2O3S	103	436	1.6	20	3	4	4	"1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)"	CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)O)C	LOBCDGHHHHGHFA-UHFFFAOYSA-N
DG00318	Moxifloxacin	152946	"Avelox; MFX; MXF; MXFX; Vigamox; Avalox (TN); Avelon (TN); Avelox (TN); Moxifloxacin [INN:BAN]; Vigamox (TN); Avelox I.V.; Actira (*Hydrochloride*); Avelox (*Hydrochloride*); (1'S,6'S)-1-Cyclopropyl-7-(2,8-diazabicyclo[4.3.0]non-8-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid; 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63611	DB00218	DR00800	.	401.4	C21H24FN3O4	82.1	727	0.6	29	2	8	4	"1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1"	COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O	FABPRXSRWADJSP-MEDUHNTESA-N
DG00319	Sitafloxacin	461399	"127254-12-0; Gracevit; Sitafloxacin Sesquihydrate; DU 6859; 163253-35-8; UNII-3GJC60U4Q8; DU-6859a; Sitafloxacin isomer II; DU 6859A; C19H18ClF2N3O3; 3GJC60U4Q8; CHEBI:4304; 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid; Sitafloxacin [INN]; 7-((S)-7-AMINO-5-AZASPIRO[2.4]HEPTAN-5-YL)-8-CHLORO-6-FLUORO-1-((1R,2S)-2-FLUOROCYCLOPROPYL)-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID; STFX; DU-6859; 127254-10-8; Sitafloxacin isomer III (RRS); 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-3-quinolinecarboxylic acid; 7-[(7S)-7-azanyl-5-azaspiro[2.4]heptan-5-yl]-8-chloranyl-6-fluoranyl-1-[(1R,2S)-2-fluoranylcyclopropyl]-4-oxidanylidene-quinoline-3-carboxylic acid; SITAFLOXACIN ISOMER III(RRS); SITAFLOXACINISOMER; SCHEMBL74553; 7-((7S)-Amino-5-azaspiro(2,4)heptan-5-yl)-8-chloro-6-fluoro-1-((1R,2R)-cis-2-fluoro-1-cyclopropyl)-1,4-dihydro-4-oxoquinolone-3-carboxylic acid; 7-(7-Amino-5-azaspiro(2.4)heptan-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid sesquihydrate; SITAFLOXACINISOMER(RRS); SITAFLOXACINISOMER(RSR); DU6859a; CHEMBL108821; AMSP00027; GTPL11040; HY-B0395; ZINC3795983; AKOS015962212; AC-1388; ACN-048224; AM85541; compound 33 [PMID: 7932562]; YF10030; (-)-7-((7S)-Amino-5-azaspiro(2,4)hept-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-1,4-dihydro-4-oxoq-3-uinolonecarboxylic acid; 3-Quinolinecarboxylic acid, 7-(7-amino-5-azaspiro(2.4)hept-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-1,4-dihydro-4-oxo-, (1R-(1alpha(S*),2alpha))-; 3-Quinolinecarboxylic acid, 7-[(7S)-7-amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-; 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-quinoline-3-carboxylic acid; AT-21032; AB01568244_01; 253S358; A805671; A805673; J-519022; (-)-7-[(7s)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1r,2s)-2-fluoro-1-cyclopropyl]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; 273401-03-9; 3-Quinolinecarboxylic acid, 7-((7S)-7-amino-5-azaspiro(24)hept-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-1,4-dihydro-4-oxo-; 7-((7S)-7-Amino-5-azaspiro[2.4]hept-5-yl)-1-((1S,2S)-2-fluorocyclopropyl)-8-chloro-6-fluoro-4-oxohydroquinoline-3-carboxylic acid; 7-((S)-7-Amino-5-azaspiro[2.4]Heptan-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 7-[(7S)-7-Amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1 R,2S)-2-fluorocyclopropyl]-4-oxo-1,4-dihydro-3-quinolinecarboxyli c acid; rel-7-((R)-7-Amino-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-((1S,2R)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4304	DB13261	DR01687	.	409.8	C19H18ClF2N3O3	86.9	761	0.7	28	2	8	3	"1S/C19H18ClF2N3O3/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28)/t10-,12+,13+/m0/s1"	C1CC12CN(C[C@H]2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)[C@@H]5C[C@@H]5F)F	PNUZDKCDAWUEGK-CYZMBNFOSA-N
DG00320	Dichloroacetate	25975	"2,2-dichloroacetate; Dichloracetate; Dichloroacetate ion; 13425-80-4; Dichloroacetic acid ion(1-); DCA; BRN 3903873; 2q8h; ACETIC ACID, DICHLORO-, ION(1-); 2,2-bis(chloranyl)ethanoate; GTPL4518; CHEBI:28240; DTXSID40158610; STL483470; NCGC00241105-01; 68626-EP2292227A2; 68626-EP2292628A2; 68626-EP2298776A1; 68626-EP2308861A1; 68626-EP2374454A1; A839686; Q27077050"	Phase 4	4	Approved Drug(s)	Phase 4	Small molecular drug	.	CHEBI:28240	DB08809	.	DR2512	127.93	C2HCl2O2-	40.1	55.1	1.8	6	0	2	0	"1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1"	C(C(=O)[O-])(Cl)Cl	JXTHNDFMNIQAHM-UHFFFAOYSA-M
DG00321	Beta-elemene	10583	"Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-rel-; 33880-83-0; beta-Elemene, (-)-; (- )-bete-elemene; EINECS 251-713-0; AC1L1VID; Cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl-, (1S,2S,4R)-; OPFTUNCRGUEPRZ-UHFFFAOYSA-N; Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S-(1-alpha,2-beta,4-beta))-; (1alpha,2beta,4beta)-1-Methyl-2,4-bis(methylvinyl)-1-vinylcyclohexane; LS-56795; EN300-296339; 1-Methyl-1-vinyl-2,4-diisopropenylcyclohexane"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	204.35	C15H24	0	284	6.1	15	0	0	3	"1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3"	CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C	OPFTUNCRGUEPRZ-UHFFFAOYSA-N
DG00322	Carboxyamidotriazole orotate	11599548	.	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	.	.	.	580.8	C22H16Cl3N7O6	212	816	.	38	5	9	6	"1S/C17H12Cl3N5O2.C5H4N2O4/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25;8-3-1-2(4(9)10)6-5(11)7-3/h1-6H,7,21H2,(H2,22,27);1H,(H,9,10)(H2,6,7,8,11)"	C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2Cl)CN3C(=C(N=N3)C(=O)N)N)Cl)Cl.C1=C(NC(=O)NC1=O)C(=O)O	MNWOBDDXRRBONM-UHFFFAOYSA-N
DG00323	Ormaplatin	13920603	TCDCP; Tetraplatin; Tetraplatinum; U-77233	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	451.1	C6H14Cl4N2Pt	52	82	.	13	2	2	0	"1S/C6H14N2.4ClH.Pt/c7-5-3-1-2-4-6(5)8;;;;;/h5-6H,1-4,7-8H2;4*1H;/q;;;;;+4/p-4"	C1CCC(C(C1)N)N.Cl[Pt](Cl)(Cl)Cl	VPOCYEOOFRNHNL-UHFFFAOYSA-J
DG00324	Bendamustine hydrochloride	65628	Treanda (TN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB06769	.	DR0188	358.3	C16H21Cl2N3O2	58.4	380	2.9	23	1	4	9	"1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)"	CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O	YTKUWDBFDASYHO-UHFFFAOYSA-N
DG00325	Bictegravir	90311989	"Bictegravir; 1611493-60-7; GS-9883; UNII-8GB79LOJ07; GS-9883-01; (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluorobenzyl)-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide; 8GB79LOJ07; (1S,11R,13R)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide; Bictegravir [INN]; Bictegravir [USAN:INN]; bictegravirum; GS 9883; Bictegravir (USAN/INN); CHEMBL3989866; SCHEMBL15914278; GTPL11575; CHEBI:172943; BDBM330048; AMY12383; BCP25703; EX-A3161; GS9883; s5911; DB11799; DT-0020; 2,5-Methanopyrido(1',2':4,5)pyrazino(2,1-b)(1,3)oxazepine-10-carboxamide, 2,3,4,5,7,9,13,13a-octahydro-8-hydroxy-7,9-dioxo-N-((2,4,6-trifluorophenyl)methyl)-, (2R,5S,13aR)-; AC-30658; HY-17605; CS-0014685; D10909; N16998; US9663528, 42; A902376; Q27270406; GS-9883; GS 9883; GS9883; GS-9883-01; (1S,11R,13R)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazatetracyclo[11.2.1.0(2),(1)(1).0 , ]hexadeca-4,7-diene-7-carboxamide; (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluorobenzyl)-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1',2':4,5]pyrazino[2, 1-b][1,3]oxazepine-10-carboxamide"	Phase 4	4	Approved Drug(s)	Phase 4	Small molecular drug	.	.	DB11799	.	.	449.4	C21H18F3N3O5	99.2	912	2.7	32	2	9	3	"1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1"	C1C[C@@H]2C[C@H]1N3[C@H](O2)CN4C=C(C(=O)C(=C4C3=O)O)C(=O)NCC5=C(C=C(C=C5F)F)F	SOLUWJRYJLAZCX-LYOVBCGYSA-N
DG00326	Nutlin-3	216345	"Nutlin-3; 548472-68-0; 890090-75-2; nutlin-3A; nutlin 3; (+/-)-Nutlin3; CHEMBL211045; Nutlin 3(Random Configuration); MDM2 Antagonist, Nutlin-3, Racemic; 4-(4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-2-one; 4-({4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one; 4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:93777	.	.	.	581.5	C30H30Cl2N4O4	83.5	919	5.2	40	1	5	6	"1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)"	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N
DG00327	Temocapril hydrochloride	443873	Acecol (TN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32190	DB08836	.	.	513.1	C23H29ClN2O5S2	150	644	.	33	3	8	11	"1S/C23H28N2O5S2.ClH/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27;/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27);1H/t17-,18-,20-;/m0./s1"	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CS[C@@H](CN(C2=O)CC(=O)O)C3=CC=CS3.Cl	XDDQNOKKZKHBIX-ASBZXGSUSA-N
DG00328	Ceftolozane sulfate	11592969	"Ceftolozane; CXA-101; CXA-301; CXA-301); Cephalosporin derivatives, Astellas; Cephalosporinderivatives, Calixa Therapeutics; FR-193879; FR-264205; FR-295389; CXA-101 (inhaled), Calixa; CXA-101 (inhaled), Cubist; Cephalosporin derivative (H pylori/P aeruginosa infection), Astellas; CXA-101 (inhaled, bacterial lung infection), Cubist"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB09050	.	.	764.8	C23H32N12O12S3	439	1360	.	50	9	20	12	"1S/C23H30N12O8S2.H2O4S/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24;1-5(2,3)4/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42);(H2,1,2,3,4)/b31-11+;/t12-,18-;/m1./s1"	CC(C)(C(=O)O)O/N=C(\\C1=NSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC(=C(N4C)N)NC(=O)NCCN)C(=O)O.OS(=O)(=O)[O-]	UJDQGRLTPBVSFN-GZGOMJRCSA-N
DG00329	Levothyroxine	5819	"Eltroxin; Euthyrox; Forthyron; Laevothyroxinum; Laevoxin; Levolet; Levothroid; Levothyrox; Levothyroxin; Levoxyl; Oroxine; Synthroid; THX; Tetraiodothyronine; Thyratabs; Thyrax; Thyreoideum; Thyroxevan; Thyroxin; Thyroxinal; Levothyroxine sodium; Synthroid sodium; Thyroxine [BAN]; Thyroxine iodine; LT00440967; T4 levothyroxine; DL-Thyroxin; Eltroxin (TN); Euthyrox (TN); Eutirox (TN); Forthyron (TN); L-Thryoxin; L-Thyroxin; L-thyroxine; Laevothyroxinum (acid); Levaxin (TN); Levo-T; Levothyroxine (BAN); Levothyroxinum (acid); Levoxyl (TN); Synthroid (TN); T-3850; T4 (Hormone); Thyrax (TN); Thyrox (TN); Thyroxine (VAN); Thyroxine (l); L-thyroxine (TN); Levothyroxine Sodium (L-thyroxine); Levothroid (*Sodiumsalt*); Synthroid (*Sodium salt*); Thyroxine, L-(8CI); L-3,5,3',5'-Tetraiodothyronine; O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodotyrosine; Beta-((3,5-Diiodo-4-hydroxyphenoxy)-3,5-diiodophenyl)alanine; O-(4-Hydroxy-3,5-diidophenyl)-3,5-diiodo-L-tyrosine; O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine; (-)-Thyroxine; (125I)T4; (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid; 2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-propanoic acid; 3,3',5,5""-Tetraiodo-L-thyronine; 3,3',5,5''-Tetraiodo-L-thyronine; 3,3',5,5'-Tetraiodo-L-thyronine; 3,5,3',5'-Tetraiodo-L-thyronine; 3,5,3',5'-Tetraiodothyronine; 3,5,3'5'-Tetraiodo-L-thyronine; 3-(4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)alanine; 3-[4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-L-alanine; 4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-L-phenylalanine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:18332	DB00451	.	DR1950	776.87	C15H11I4NO4	92.8	420	2.4	24	3	5	5	"1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1"	C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)O)N	XUIIKFGFIJCVMT-LBPRGKRZSA-N
DG00330	Icotinib hydrochloride	44609731	Conmana; Conmanna; Icotinib; BPI-2009-H	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11737	.	.	427.9	C22H22ClN3O4	74.7	553	.	30	2	7	3	"1S/C22H21N3O4.ClH/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20;/h1,3-5,12-15H,6-11H2,(H,23,24,25);1H"	C#CC1=CC(=CC=C1)NC2=NC=NC3=CC4=C(C=C32)OCCOCCOCCO4.Cl	PNNGXMJMUUJHAV-UHFFFAOYSA-N
DG00331	Dovitinib lactate	135611162	"Dovitinib; 405169-16-6; CHIR-258; TKI-258; Chir 258; 4-Amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one; CHIR258; Dovitinib (TKI-258, CHIR-258); UNII-I35H55G906; CHEMBL522892; 804551-71-1; I35H55G906; TKI 258; 1027263-12-2; (3Z)-4-Amino-5-fluoro-3-[5-(4-methyl-1-piperazinyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]-2(3H)-quinolinone; C21H21FN6O; 4-Amino-5-fluoro-3-(5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl)quinolin-2(1H)-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB05928	.	DR1815	500.5	C24H29FN6O5	149	737	.	36	6	10	3	"1S/C21H21FN6O.C3H6O3.H2O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29;1-2(4)3(5)6;/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29);2,4H,1H3,(H,5,6);1H2"	CC(C(=O)O)O.CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N.O	QDPVYZNVVQQULH-UHFFFAOYSA-N
DG00332	Pazopanib HCl	11525740	Votrient (TN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:71217	DB06589	DR00185	.	474	C21H24ClN7O2S	127	717	.	32	3	8	5	"1S/C21H23N7O2S.ClH/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16;/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25);1H"	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N.Cl	MQHIQUBXFFAOMK-UHFFFAOYSA-N
DG00333	Nelfinavir	64143	"Nelfinavir; nelfinavir; 159989-64-7; Viracept; Nelfinavir [INN:BAN]; AG1343; UNII-HO3OGH5D7I; AG-1343; C32H45N3O4S; NELFINAVIR MESYLATE AG1343; Viracept (TN); HO3OGH5D7I; CHEBI:7496; AG 1343; NLF; 1UN; 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE; (3S-(2(2S*,3S*),3alpha,4abeta,8abeta))-N-(1,1-Dimethylethyl)decahydro-2-(2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-4-(phenylthio)butyl)-3-isoquinolinecarboxamide; NFV; NFV; Nelfinavir Monomethane Sulfonate; AG1346; Nelfinavir (INN); Nelfinavir [BAN:INN]; AG1343 (*Mesylate salt*); Viracept (TM)(*Mesylate salt*); Met-SDF-1beta & Nelfinavir; Met-Stromal Cell-derived Factor-1beta (Human) & Nelfinavir; (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide"	Approved	1	Approved Drug(s)	Approved	Antisense drug	.	.	DB00220	DR00420	.	567.8	C32H45N3O4S	127	830	5.7	40	4	6	10	"1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1"	CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O	QAGYKUNXZHXKMR-HKWSIXNMSA-N
DG00334	Veliparib dihydrochloride	45480520	Veliparib; 912444-00-9; ABT-888; ABT 888; ABT-888 (Veliparib); Veliparib (ABT-888); ABT888; UNII-01O4K0631N; 2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide; CHEBI:62880; 2-[(R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide; (R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo[d]imidazole-4-carboxamide; 01O4K0631N; 2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benimidazole-4-; (2r)-2-(7-Carbamoyl-1h-Benzimidazol-2-Yl)-2-Methylpyrrolidinium; Veliparib dihydrochloride	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB07232	.	.	317.21	C13H18Cl2N4O	83.8	348	.	20	5	3	2	"1S/C13H16N4O.2ClH/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12;;/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17);2*1H/t13-;;/m1../s1"	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N
DG00335	Viomycin sulfate	135524783	Viocin (TN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB06827	.	.	783.8	C25H45N13O14S	476	1360	.	53	17	17	10	"1S/C25H43N13O10.H2O4S/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43;1-5(2,3)4/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48);(H2,1,2,3,4)/b13-7-;/t10-,11+,12-,14-,15-,17-,18-;/m0./s1"	C1[C@@H](N=C(N[C@H]1O)N)[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\\NC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H](CCCN)N.OS(=O)(=O)O	AQONYROJHRNYQQ-QMAPKBLTSA-N
DG00336	Pleuromutilins	9886081	"BC-3004; BC-3080; BC-3291; Pleuromutilins (oral, bacterial infection); Pleuromutilins (oral, bacterial infection), Nabriva"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	378.5	C22H34O5	83.8	645	3.5	27	2	5	4	"1S/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3/t13-,14+,16-,18+,19+,20-,21+,22+/m1/s1"	C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CO)C	ZRZNJUXESFHSIO-BKUNHTPHSA-N
DG00337	Pirarubicin	636397	Pinorubicin (TN); Therarubucin (TN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32011	DB11616	DR01430	.	627.6	C32H37NO12	204	1120	2.7	45	5	13	7	"1S/C32H37NO12/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3/t14-,17-,19-,21-,22-,31+,32-/m0/s1"	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O[C@H]6CCCCO6	KMSKQZKKOZQFFG-HSUXVGOQSA-N
DG00338	Rituximab	.	.	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	DB00073	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00339	Trastuzumab emtansine	.	.	Approved	1	Approved Drug(s)	Approved	Antibody drug conjugate	.	.	DB05773	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00340	Cetuximab	.	Erbitux; Cetuximab (genetical recombination); Erbitux (TN); Cetuximab (USAN/INN); Cetuximab (genetical recombination) (JAN); novel EGFR mAb inhibitors	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	DB00002	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00341	Panitumumab	.	Vectibix; Panitumumab (genetical recombination); Vectibix (TN); Panitumumab (USAN/INN); Panitumumab (genetical recombination) (JAN); Panitumumab (EGFR mAb inhibitor)	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB01269	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00342	Pertuzumab	.	Pertuzumab (genetical recombination); Pertuzumab (USAN/INN); Pertuzumab (genetical recombination) (JAN); Pertuzumab (ERBB2 mAb inhibitor)	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB06366	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00343	L-asparaginase	.	"L-asparaginase (erythrocyte-encapsulated, acute lymphoblastic leukemia/solid tumor), ERYtech"	Approved	1	Approved Drug(s)	Approved	Other protein based therapies	.	.	DB00023	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00344	Pembrolizumab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB09037	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00345	Benzalkonium chloride	.	.	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11105	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00346	Trastuzumab	.	Herceptin; Herceptin (TN); Trastuzumab (INN); Trastuzumab (genetical recombination); Trastuzumab (genetical recombination) (JAN); Trastuzumab (ERBB2 mAb inhibitor)	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	DB00072	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00347	Matrine	91466	"Matrine; 519-02-8; (+)-Matrine; Matrinium; UNII-N390W430AC; CHEBI:6700; Matrene, (+)-; (7aS,13aR,13bR,13cS)-Dodecahydro-1H,5H,10H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one; N390W430AC; NSC 146051; BRN 0085851; Vegard; alpha-Matrine; cis-Neomatrine; trans-Neomatrine; a-Matrine; Matrine,(S); Matrine ((+)-Matrine); Matridin-15-one (9CI); 5-24-02-00301 (Beilstein Handbook Reference); SCHEMBL177907; CHEMBL204860; DTXSID00274188; HMS3884F13; AMY25701; BCP08193; HY-N0164; ZINC2083329; BDBM50249581; CM0087; MFCD00210527; NSC146051; s2322; AKOS007930266; CCG-208589; CS-1601; KS-5203; NSC-146051; NCGC00346593-01; O723; M2120; N1836; 19M028; (7aS,13aR,13bS,13cS)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	248.36	C15H24N2O	23.6	356	1.6	18	0	2	0	"1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-/m0/s1"	C1C[C@@H]2[C@H]3CCCN4[C@H]3[C@@H](CCC4)CN2C(=O)C1	ZSBXGIUJOOQZMP-JLNYLFASSA-N
DG00348	Oxymatrine	114850	"Oxymatrine; 16837-52-8; Ammothamnine; Matrine N-oxide; Oxysophoridine; Matrine oxide; Oxymatrine,(S); Matrine 1beta-oxide; 54809-74-4; CHEBI:2672; (7aS,13aR,13bR,13cS)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one 4-oxide; MFCD00210339; (1R,2R,9S,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one; (1R,2R,9S,13R,17S)-13-Oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one; SMR000543093; Pachycarpidine; Matrine 1-oxide; MLS001215101; MLS006011817; Oxymatrine (Matrine N-oxide); CHEMBL458337; SCHEMBL13394285; DTXSID40937482; HMS2854E03; AMY25589; ZINC3881804; 7967AB; BBL030371; s2338; STK801916; AKOS004120031; AKOS022168212; AC-6063; CCG-267091; NCGC00346596-01; NCGC00346596-02; SOPHORIDINE N-OXIDE/OXYSOPHORIDINE; AS-15173; O357; AB0016411; A870349; Q-100202; Q15425294; (4(1)S,7aS,13aR,13bR)-10-oxohexadecahydrodipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridine 4-oxide; 1212383-03-3; 1H,5H,10H-Dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one,dodecahydro-, 4-oxide, (7aR,13aR,13bR,13cS)-; 4-Oxotetradecahydro-1H,10H-4lambda~5~-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one; rel-(41S,7aS,13aR,13bR)-10-Oxohexadecahydrodipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridine 4-oxide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB16276	.	.	264.36	C15H24N2O2	38.4	400	1	19	0	2	0	"1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17 /m0/s1"	C1C[C@@H]2[C@H]3CCC[N+]4([C@H]3[C@@H](CCC4)CN2C(=O)C1)[O-]	XVPBINOPNYFXID-LHDUFFHYSA-N
DG00349	Calycosin	5280448	"Calycosin; 20575-57-9; 3'-hydroxyformononetin; 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one; UNII-09N3E8P7TA; 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one; 3',7-dihydroxy-4'-methoxyisoflavone; 09N3E8P7TA; CHEBI:17793; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-; 7-hydroxy-3-(3-hydroxy-4-methoxy-phenyl)chromen-4-one; 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one; 7,3'-dihydroxy-4'-methoxyisoflavone; HSDB 8109; 3-Hydroxyformononetin; 3'-hydroxy-formononetin; SCHEMBL73013; MLS000876988; CHEMBL241608; MEGxp0_001325; ACon1_000650; DTXSID70174580; HMS2268B05; BCP28682; HY-N0519; ZINC6018563; LMPK12050056; MFCD00210598; s9038; AKOS015896719; 3',7-dihydroxy-4'-methoxy-isoflavone; AC-8043; CS-3715; MCULE-7559555984; NCGC00169494-01; LS-14468; SMR000440659; DB-045290; FT-0630465; N1412; X1103; C01562; 575C579; A814711; Q-100254; Q5024637; BRD-K05039497-001-01-6"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	284.26	C16H12O5	76	432	2.4	21	2	5	2	"1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3"	COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O	ZZAJQOPSWWVMBI-UHFFFAOYSA-N
DG00351	NSC141562	5458295	"NSC141562; NSC-141562; CHEMBL2003340; 1-[(2-methylquinolin-3-yl)methyl]-3,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane, bromide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	376.3	C17H22BrN5	22.6	398	.	23	0	5	2	"1S/C17H22N5.BrH/c1-14-16(6-15-4-2-3-5-17(15)18-14)7-22-11-19-8-20(12-22)10-21(9-19)13-22;/h2-6H,7-13H2,1H3;1H/q+1;/p-1"	CC1=NC2=CC=CC=C2C=C1C[N+]34CN5CN(C3)CN(C5)C4.[Br-]	IYASYYOEAXFOPQ-UHFFFAOYSA-M
DG00352	2-Bromo-4-fluorobenzaldehyde	2773319	"2-Bromo-4-fluorobenzaldehyde; 59142-68-6; 2-bromo-4-fluoro-benzaldehyde; 2-Bromo-4-Fluoro Benzaldehyde; Benzaldehyde, 2-bromo-4-fluoro-; MFCD00672923; 4-FLUORO-2-BROMOBENZALDEHYDE; Bromo-4-fluoro benzaldehyde; 2-Bromo-4-fluorobezaldehyde; 2-bromo4-fluoro-benzaldehyde; SCHEMBL249018; DTXSID70378369; ACT00250; BCP29430; ZINC2567808; BBL021382; STK894095; AKOS005144223; AB06851; AC-2291; AS03017; CM11837; CS-W007439; LS10393; MCULE-8213351363; PS-8173; VZ23974; 2-Bromo-4-fluorobenzaldehyde, AldrichCPR; BC002351; L203; SY014169; AB0014585; DB-024154; AM20060032; B3498; FT-0640583; 142B686; J-508293; 2-Bromo-4-Fluoro Benzaldehyde;Benzaldehyde, 2-bromo-4-fluoro-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	203.01	C7H4BrFO	17.1	129	2.2	10	0	2	1	1S/C7H4BrFO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H	C1=CC(=C(C=C1F)Br)C=O	OPZDXMCOWFPQPE-UHFFFAOYSA-N
DG00353	Cucurbitacin B	5281316	"Cucurbitacin B; 6199-67-3; Datisca principle B; Amarine; DATISCACIN; Datiscn Principle B; 1,2-Dihydro-alpha-elaterin; UNII-0115W5MABF; 0115W5MABF; CHEBI:3941; CUCURBITACIN R - DATISCA PRINCIPLE B; NSC49451; Cucurbitacin B hydrate; (R,E)-6-((2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate; Cucurbitacine (B); Cucurbitacin-B; Cucurbitacine B; Cuc B; MLS002702988; HSDB 3476; 19-nor-9.beta.,23-diene-3,11,22-trione, 9-methyl-2.beta.,16.alpha.,20,25-tetrahydroxy-, 25-acetate; 19-Norlanosta-5,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-; C32H46O8; NSC 49451; NSC 144154; SCHEMBL231815; CHEMBL508185; HY-N0416; ZINC4097797; LMST01010104; MFCD07778083; NSC-49451; NSC144154; s8165; AKOS015897085; CCG-270043; CS-3816; NSC-144154; 25-(Acetyloxy)-2,16,20-trihydroxy-9-methyl-19-norlanosta-5,23-diene-3,11,22-trione; [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; 19-Nor-9beta,10alpha-lanosta-5,23-diene-3,11,22-trione, 2beta,16alpha,20,25-tetrahydroxy-9-methyl-, 25-acetate; 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (2beta,9beta,10alpha,16alpha,23E)-; AC-34283; Cucurbitacin B hydrate, >=97% (HPLC); N2787; X1115; C08794; 199C673; A924078; Q-100715; Q27106259; UNII-W3RWP6CB48 component IXQKXEUSCPEQRD-DKRGWESNSA-N; (2S,4R,23E)-2,16beta,20-trihydroxy-9beta,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate; (3E,6R)-6-[(1R,2R,4S,10S,11S,13R,14R,15R)-4,13-dihydroxy-1,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[8.7.0.0 , .0 , ]heptadec-7-en-14-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate; 19-Nor-9-beta,10-alpha-lanosta-5,23-diene-3,11,22-trione, 2-beta,16-alpha,20,25-tetrahydroxy-9-methyl-, 25-acetate; 19-Norlanosta-5,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, [2.beta.,.gamma.,.beta.,10.alpha.,16.alpha.]-; 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (2beta,9beta,10alpha,16alpha,23E)- (9CI); 2beta,16alpha,20,25-tetrahydroxy-9-methyl-19-nor-9beta,10alpha-lanosta-5,23-diene-3,11,22-trione, 25-acetate; 2beta,16alpha,20,25-tetrahydroxy-9-methyl-3,11,22-trioxo-19-nor-9beta,10alpha-lanosta-5,23-dien-25-yl acetate"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	.	.	.	558.7	C32H46O8	138	1210	2.6	40	3	8	6	"1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1"	CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)C)O)O	IXQKXEUSCPEQRD-DKRGWESNSA-N
DG00354	Iridium	23924	"7439-88-5; Ir; Iridium; Iridium black; iridium atom; Iridium wire; iridium ion (4+); Iridium, powder; MFCD00011062; Iridium metallicum; Iridium, elemental; Iridium, ion(Ir4 ); hydrido-iridium; Iridium powder; Iridium sponge; Iridium foil; Iridium-Mohr; iridium dihydride; Iridium Nanorods; Iridium compounds; HSDB 7067; Iridium Nanowires; iridium pentahydride; Iridium single crystal disc, 10mm (0.39in) dia, 1-2mm (0.04-0.08in) thick, (110) orientation, +/-0.5 degrees; EINECS 231-095-9; iridium(4+); iridium(iv) hydride; Iridium (IV) ion; Iridium Nanoparticles; UNII-44448S9773; Ir/C; Iridium powder, -60 mesh; Iridium powder, -325 mesh; Iridium sponge, -100 mesh; DTXSID0064674; CHEBI:49666; HSDB 7066; Ir(4+); 7282AH; Iridium, powder, puriss., 99.9%; Iridium powder, -22 mesh, Premion ; AKOS015833373; Iridium wire, 0.5mm (0.02in) dia; Iridium wire, 1.0mm (0.04in) dia; Iridium foil, 0.5mm (0.02in) thick; Iridium foil, 1.0mm (0.04in) thick; Iridium wire, 0.25mm (0.01in) dia; Q877; Iridium foil, 0.05mm (0.002in) thick; Iridium shot, 6-7mm (0.24-0.28in); Iridium wire, 0.075mm (0.003in) dia; Iridium wire, 0.125mm (0.005in) dia; CS-0082565; FT-0627287; Iridium, powder, 99.9% trace metals basis; Iridium foil, 0.25mm (0.01in) thick, hard; Iridium foil, 0.127mm (0.005in) thick, hard; Iridium pellet, approximately 1.3cm (0.5in) dia; Lanthanum Nickel Oxide (LaNiO3) Sputtering Targets; Q27461515; 44448S9773; I000000010; Iridium, sponge, -20 mesh, 99.9% trace metals basis; Iridium, AAS standard solution, Specpure , Ir 1000 g/ml; Iridium, rod, 100mm, diameter 2.0mm, as drawn, 99.9%; Iridium, rod, 100mm, diameter 3.0mm, as drawn, 99.9%; Iridium, rod, 25mm, diameter 2.0mm, as drawn, 99.9%; Iridium, rod, 25mm, diameter 3.0mm, as drawn, 99.9%; Iridium, rod, 50mm, diameter 2.0mm, as drawn, 99.9%; Iridium, rod, 50mm, diameter 3.0mm, as drawn, 99.9%; Iridium, wire, diam. 0.15 mm, 99.9% trace metals basis; Iridium, wire, diam. 0.5 mm, 99.9% trace metals basis; Iridium slug, 6.0mm (0.24in) dia x 6.0mm (0.24in) length; Iridium, black, powder, -200 mesh, >=99% trace metals basis; Iridium, foil, thickness 0.07 mm, 99.5% trace metals basis; Iridium, foil, thickness 0.1 mm, 99.5% trace metals basis; Iridium, foil, thickness 0.25 mm, 99.9% trace metals basis; Iridium, plasma standard solution, Specpure , Ir 10,000 g/ml; Iridium, plasma standard solution, Specpure , Ir 1000 g/ml; Iridium, rod, 4.0 mm diameter, length 25 mm, purity 99.9%; Iridium, rod, 4.0 mm diameter, length 50 mm, purity 99.9%; Iridium, wire reel, 0.1m, diameter 0.1mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 0.2mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 0.5mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 0.8mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 1.0mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 2.0mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 0.1mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 0.2mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 0.5mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 0.8mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 1.0mm, as drawn, 99.9%; Iridium, wire reel, 0.3m, diameter 0.5mm, as drawn, 99.9%; Iridium, wire reel, 0.4m, diameter 0.5mm, as drawn, 99.9%; Iridium, wire reel, 0.5m, diameter 0.1mm, as drawn, 99.9%; Iridium, wire reel, 0.5m, diameter 0.2mm, as drawn, 99.9%; Iridium, wire reel, 0.5m, diameter 0.5mm, as drawn, 99.9%; Iridium, wire reel, 1m, diameter 0.075mm, as drawn, 99.9%; Iridium, wire reel, 1m, diameter 0.125mm, as drawn, 99.5%; Iridium, wire reel, 1m, diameter 0.125mm, as drawn, 99.9%; Iridium, wire reel, 1m, diameter 0.15mm, as drawn, 99.9%; Iridium, wire reel, 1m, diameter 0.177mm, as drawn, 99.9%; Iridium, wire reel, 1m, diameter 0.1mm, as drawn, 99.9%; Iridium, wire reel, 1m, diameter 0.25mm, as drawn, 99.9%; Iridium, wire reel, 1m, diameter 0.2mm, as drawn, 99.9%; Iridium, wire reel, 2m, diameter 0.125mm, as drawn, 99.5%; Iridium, wire reel, 2m, diameter 0.125mm, as drawn, 99.9%; Iridium, wire reel, 2m, diameter 0.15mm, as drawn, 99.9%; Iridium slug, 6.0mm (0.24in) dia x 12.0mm (0.48in) length; Iridium, foil, 25x25mm, thickness 0.125mm, as rolled, 99.9%; Iridium, foil, 25x25mm, thickness 0.15mm, as rolled, 99.9%; Iridium, foil, 25x25mm, thickness 0.25mm, as rolled, 99.9%; Iridium, foil, thickness 0.1 mm, size 25 x 25 mm, purity 99.9%; Iridium, wire reel, 0.025m, diameter 2.0mm, as drawn, 99.9%; Iridium, wire reel, 0.05m, diameter 0.075mm, as drawn, 99.9%; Iridium, wire reel, 0.05m, diameter 0.1mm, as drawn, 99.9%; Iridium, wire reel, 0.05m, diameter 0.8mm, as drawn, 99.9%; Iridium, wire reel, 0.05m, diameter 1.0mm, as drawn, 99.9%; Iridium, wire reel, 0.05m, diameter 2.0mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 0.075mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 0.125mm, as drawn, 99.5%; Iridium, wire reel, 0.1m, diameter 0.125mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 0.15mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 0.177mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 0.25mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 0.38mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 0.075mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 0.125mm, as drawn, 99.5%; Iridium, wire reel, 0.2m, diameter 0.125mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 0.15mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 0.177mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 0.25mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 0.38mm, as drawn, 99.9%; Iridium, wire reel, 0.5m, diameter 0.075mm, as drawn, 99.9%; Iridium, wire reel, 0.5m, diameter 0.125mm, as drawn, 99.5%; Iridium, wire reel, 0.5m, diameter 0.125mm, as drawn, 99.9%; Iridium, wire reel, 0.5m, diameter 0.15mm, as drawn, 99.9%; Iridium, wire reel, 0.5m, diameter 0.177mm, as drawn, 99.9%; Iridium, wire reel, 0.5m, diameter 0.25mm, as drawn, 99.9%; Iridium, wire reel, 0.5m, diameter 0.38mm, as drawn, 99.9%; Iridium, wire, 0.25 mm diameter, size 100 mm, purity 99.9%; Iridium, wire, 0.25 mm diameter, size 1000 mm, purity 99.9%; Iridium, wire, 0.25 mm diameter, size 200 mm, purity 99.9%; Iridium, wire, 0.25 mm diameter, size 500 mm, purity 99.9%; Iridium, wire, straight, 100mm, diameter 0.5mm, as drawn, 99.9%; Iridium, wire, straight, 100mm, diameter 0.6mm, as drawn, 99.9%; Iridium, wire, straight, 100mm, diameter 0.7mm, as drawn, 99.9%; Iridium, wire, straight, 100mm, diameter 0.8mm, as drawn, 99.9%; Iridium, wire, straight, 100mm, diameter 1.0mm, as drawn, 99.9%; Iridium, wire, straight, 200mm, diameter 0.5mm, as drawn, 99.9%; Iridium, wire, straight, 200mm, diameter 0.6mm, as drawn, 99.9%; Iridium, wire, straight, 200mm, diameter 0.7mm, as drawn, 99.9%; Iridium, wire, straight, 200mm, diameter 0.8mm, as drawn, 99.9%; Iridium, wire, straight, 200mm, diameter 1.0mm, as drawn, 99.9%; Iridium, wire, straight, 500mm, diameter 0.5mm, as drawn, 99.9%; Iridium, wire, straight, 50mm, diameter 0.6mm, as drawn, 99.9%; Iridium, wire, straight, 50mm, diameter 0.7mm, as drawn, 99.9%; Iridium, wire, straight, 50mm, diameter 0.8mm, as drawn, 99.9%; Iridium, wire, straight, 50mm, diameter 1.0mm, as drawn, 99.9%; Iridium, 0.5% on activated carbon powder, reduced, nominally 50% water wet; Iridium, foil, thickness 0.03 mm, size 25 x 25 mm, purity 99.9%; Iridium, powder, 50 max. part. size (micron), weight 5 g, purity 99.9%; Iridium, powder, max. particle size 50 micron, weight 1 g, purity 99.9%; Iridium, powder, max. particle size 50 micron, weight 2 g, purity 99.9%; Iridium, evaporation slug, diam. x L 0.6 cm x 1.2 cm, 99.9% trace metals basis; Iridium, foil, 0.025m coil, thickness 0.05mm, coil width .5mm, as rolled, 99.9%; Iridium, foil, 0.05m coil, thickness 0.05mm, coil width .5mm, as rolled, 99.9%; Iridium, foil, 0.18m coil, thickness 0.05mm, coil width .5mm, as rolled, 99.9%; Iridium, foil, 0.1m coil, thickness 0.05mm, coil width .5mm, as rolled, 99.9%; Iridium, foil, light tested, 25x25mm, thickness 0.025mm, as rolled, 99.9%; Iridium, foil, light tested, 25x25mm, thickness 0.05mm, as rolled, 99.9%; Iridium, foil, light tested, 50x50mm, thickness 0.025mm, as rolled, 99.9%; Iridium, foil, light tested, 50x50mm, thickness 0.05mm, as rolled, 99.9%; Iridium, powder, 850 max. part. size (micron), high purity 99.995%, weight 1 g; Iridium, powder, 850 max. part. size (micron), weight 2 g, high purity 99.995%; Iridium single crystal disc, 10mm (0.39in) dia, 1-2mm (0.04-0.08in) thick, (100) orientation, +/-0.5 degrees; Iridium single crystal disc, 10mm (0.39in) dia, 1-2mm (0.04-0.08in) thick, (111) orientation, +/-0.5 degrees; Iridium, microfoil, disks, 10mm, thinness 0.1mum, specific density 224mug/cm2, permanent mylar 3.5mum support, 99.9%; Iridium, microfoil, disks, 25mm, thinness 0.1mum, specific density 224mug/cm2, permanent mylar 3.5mum support, 99.9%"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	192.22	Ir	0	0	.	1	0	0	0	1S/Ir	[Ir]	GKOZUEZYRPOHIO-UHFFFAOYSA-N
DG00355	Taxane	9548828	"Taxane; 1605-68-1; (1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane; (4R,4aR,6S,9R,10S,12aR)-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene; (4R-(4alpha,4abeta,6alpha,9alpha,10alpha,12aalpha))-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene; CHEBI:36064; DTXSID70936327; BAY59-8862; 87501-EP2270018A1; 87501-EP2272537A2; 87501-EP2277507A1; 87501-EP2281820A2; 87501-EP2286795A1; 87501-EP2289876A1; 87501-EP2289892A1; 87501-EP2295416A2; 87501-EP2295417A1; 87501-EP2298748A2; 87501-EP2298754A1; 87501-EP2298780A1; 87501-EP2301940A1; 87501-EP2305642A2; 87501-EP2305689A1; Q27116688; 6,10-Methanobenzocyclodecene, tetradecahydro-4,9,12a,13,13-pentamethyl-, (4R,4aR,6S,9R,10S,12aR)-; 6,10-Methanobenzocyclodecene, tetradecahydro-4,9,12a,13,13-pentamethyl-, (4R-(4alpha,4abeta,6alpha,9alpha,10alpha,12aalpha))-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	276.5	C20H36	0	355	8.1	20	0	0	0	"1S/C20H36/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h14-18H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,20+/m1/s1"	C[C@@H]1CCC[C@@]2([C@@H]1C[C@@H]3CC[C@H]([C@@H](C3(C)C)CC2)C)C	DKPFODGZWDEEBT-QFIAKTPHSA-N
DG00356	S-1	146157327	S-1; BMS 247616; S 1; S 1 (antitumor agent); TS 1; TS 1 (pharmaceutical)	Terminated	10	Discontinued Drug(s)	Terminated	Small molecular drug	.	.	.	.	.	544.9	C17H19ClFKN6O9	215	683	.	35	5	10	2	"1S/C8H11FN2O3.C5H4ClNO2.C4H5N3O4.K/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12;6-3-2-7-5(9)1-4(3)8;8-2(9)1-5-3(10)7-4(11)6-1;/h5-6H,1-4H2,(H,10,12,13);2H,1H2,(H,7,9);1H,(H,8,9)(H3,5,6,7,10,11);/q;;;+1/p-1"	C1CC(OC1)N2CC(C(=O)NC2=O)F.C1C(=O)C(=CNC1=O)Cl.C1(NC(=O)NC(=O)N1)C(=O)[O-].[K+]	IOYPGLLFUCOOCZ-UHFFFAOYSA-M
DG00357	Braf inhibitor	53438230	"BRAF inhibitor; N-[2,4-Difluoro-3-[[5-(3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]phenyl]-2-propanesulfonamide; C22H18F2N4O2S; N-(2,4-Difluoro-3-{[5-(3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}phenyl)-2-propanesulfonamide; SCHEMBL150401; BCP27823; EX-A2629; 5506AC; ZINC71257194; AKOS025117572; CS-0055; PLX-4032(RG7204); NCGC00378825-01; AC-25237; HY-10247; DB-003735; R7204; F12499; 505D610; 2-Propanesulfonamide, N-[2,4-difluoro-3-[[5-(3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]phenyl]-; N-(2,4-difluoro-3-(5-(pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl)propane-2-sulfonamide; propane-2-sulfonic acid [2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-carbonyl)-phenyl]-amide; propane-2-sulfonic acid [2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-phenyl]-amide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	456.5	C22H18F2N4O3S	113	778	3.2	32	2	8	6	"1S/C22H18F2N4O3S/c1-12(2)32(30,31)28-18-6-5-17(23)19(20(18)24)21(29)16-11-27-22-15(16)8-14(10-26-22)13-4-3-7-25-9-13/h3-12,28H,1-2H3,(H,26,27)"	CC(C)S(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CN=CC=C4)F	SUNCACOTKLUNHD-UHFFFAOYSA-N
DG00358	Tyrosine kinase inhibitor	24956525	"Tyrosine kinase inhibitor; 1021950-26-4; 1-N'-(4-fluorophenyl)-1-N-[4-[[2-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide; SCHEMBL10108314; C31H31FN6O5; DTXSID40648066; BCP04781; EX-A2282; MDK-0264; 4136AH; NSC757436; ZINC43195804; CS-0524; NSC-757436; NCGC00390567-01; HY-10421; DB-058774; FT-0753909; EC-000.2366; 1,1-Cyclopropanedicarboxamide, N-(4-fluorophenyl)-N-[4-[[2-[[[2-(4-morpholinyl)ethyl]amino]carbonyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-; N'1-(4-fluorophenyl)-N1-{4-[(2-{[2-(morpholin-4-yl)ethyl]carbamoyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl}cyclopropane-1,1-dicarboxamide; N~1~-(4-Fluorophenyl)-N'~1~-{4-[(2-{[2-(morpholin-4-yl)ethyl]carbamoyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl}cyclopropane-1,1-dicarboxamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	586.6	C31H31FN6O5	138	978	3.8	43	4	8	10	"1S/C31H31FN6O5/c32-20-1-3-21(4-2-20)35-29(40)31(10-11-31)30(41)36-22-5-7-23(8-6-22)43-26-9-12-33-27-24(26)19-25(37-27)28(39)34-13-14-38-15-17-42-18-16-38/h1-9,12,19H,10-11,13-18H2,(H,33,37)(H,34,39)(H,35,40)(H,36,41)"	C1CC1(C(=O)NC2=CC=C(C=C2)OC3=C4C=C(NC4=NC=C3)C(=O)NCCN5CCOCC5)C(=O)NC6=CC=C(C=C6)F	PKOVTRMHYNEBDU-UHFFFAOYSA-N
DG00359	GDP-beta-L-galactose	135398680	"GDP-beta-L-galactose; Guanosine-5'-Diphosphate-Beta-L-Galactose; guanosine 5'-diphospho-beta-L-galactopyranoside; guanosine 5'-[3-(beta-L-galactopyranosyl) dihydrogen diphosphate]; [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name); GDC; CHEBI:42660; C02280; Q27120477"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	605.3	C16H25N5O16P2	327	1050	-6.2	39	10	18	9	"1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1"	C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N	MVMSCBBUIHUTGJ-JGQUBWHWSA-N
DG00360	Arborcandin C	9941831	"Arborcandin C; 21,24-Bis(carbamoylmethyl)-15-(2-carbamoyl-2-hydroxyethyl)-9,12-bis(1-hydroxyethyl)-6-(3-hydroxydodecyl)-27-(8-hydroxytetradecyl)-18-methyl-1,4,7,10,13,16,19,22,25,28-decaazacyclohentriacontane-2,5,8,11,14,17,20,23,26,29-decone"	Terminated	10	Discontinued Drug(s)	Terminated	Small molecular drug	.	.	.	.	.	1284.5	C59H105N13O18	521	2320	0.9	90	18	18	33	"1S/C59H105N13O18/c1-6-8-10-12-13-15-20-24-38(76)26-27-40-53(84)64-33-48(81)63-29-28-47(80)66-39(25-21-17-14-16-19-23-37(75)22-18-11-9-7-2)54(85)69-43(32-46(61)79)56(87)70-42(31-45(60)78)55(86)65-34(3)52(83)68-41(30-44(77)51(62)82)57(88)71-50(36(5)74)59(90)72-49(35(4)73)58(89)67-40/h34-44,49-50,73-77H,6-33H2,1-5H3,(H2,60,78)(H2,61,79)(H2,62,82)(H,63,81)(H,64,84)(H,65,86)(H,66,80)(H,67,89)(H,68,83)(H,69,85)(H,70,87)(H,71,88)(H,72,90)"	CCCCCCCCCC(CCC1C(=O)NCC(=O)NCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)C(C)O)CC(C(=O)N)O)C)CC(=O)N)CC(=O)N)CCCCCCCC(CCCCCC)O)O	AHATVKJRQUTSJV-UHFFFAOYSA-N
DG00361	Brefeldin A	5287620	"Brefeldin A; Ascotoxin; Synergisidin; Decumbin; Nectrolide; Cyanein; 20350-15-6; Cyanaein; Brefeldin-A; Brefeldin A prodrug; (+)-Brefeldin A; Bredfeldin A; UNII-XG0D35F9K6; NSC-89671; MLS001074108; XG0D35F9K6; CHEBI:48080; SMR000653527; Pfizer B 174987; (1R,2E,6S,10E,11aS,13S,14aR)-1,13-dihydroxy-6-methyl-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-4-one; Antibiotic from Penicillium cyaneum; NSC 56310; SR-01000000180; MLS002701937; MLS002702862; CCRIS 9386; NSC107456; NSC244390; 1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-methyl-4H-cyclopent[f]oxacyclotridecin-4-one; NSC 89671; B 174987; Probes1_000313; SCHEMBL29267; MLS002153500; CHEMBL19980; PFIZER B174987; BDBM97307; cid_5287620; DTXSID00880041; HMS2233O20; 60132-23-2; BFA; 2283AH; NSC-56310; s7046; ZINC12371944; AM84700; CCG-208161; CS-3783; DB07348; NSC 107456; NSC 244390; NSC-107456; NSC-244390; NCGC00022909-02; (1S,2E,7S,10E,12R,13R,15S)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one; 4H-Cyclopent(f)oxacyclotridecin-4-one,1,6,7,8,9,11a-beta,12,13,14,14a-alpha-decahydro-1-beta-13-alpha-dihydroxy-6-beta-methyl-; HY-16592; SMR000768725; TOXIC SOLID, N.O.S. (BREFELDIN A); SW220015-1; C73840; Q168790; SR-01000000180-5; SR-01000000180-7; W-201775; BRD-K77841042-001-14-1; Brefeldin A, from Penicillium brefeldianum, >=99% (HPLC and TLC); Brefeldin A, >=99% (HPLC and TLC), BioXtra, for molecular biology; (1S,2E,7S,10E,12R,13R,15S)-7-methyl-12,15-bis(oxidanyl)-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one; 11006-23-8; 4H-Cyclopent(f)oxacyclotridecin-4-one, 1,6,7,8,9,11a-beta,12,13,14,14a-alpha-decahydro-1-beta-13-alpha-dihydroxy-6-beta-methyl-; 4H-Cyclopent[f]oxacyclotridecin-4-one,6,7,8,9,11a,12,13, 14,14a-decahydro-1,13-dihydroxy-6-methyl-, [1R-(1R*,2E,6S*, 10E,11aS*,13S*,14aR*)]-; 4H-Cyclopent[f]oxacyclotridecin-4-one,6,7,8,9,11a.beta.,12,13,14,14a.alpha.-decahydro- 1.beta.,13.alpha.-dihydroxy-6.beta.-methyl-; Brefeldin A, from Penicillium brefeldianum, Ready Made Solution, 10 mg/mL in DMSO, 0.2 mum filtered; Pfizer B 174987 4H-Cyclopent[f]oxacyclotridecin-4-one,6,7,8,9,11a,12,13,14,14a-decahydro-1,13-dihydroxy-6-methyl-, (1R,2E,6S,10E,11aS,13S,14aR)-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB07348	.	.	280.36	C16H24O4	66.8	388	2	20	2	4	0	"1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,13-,14+,15+/m0/s1"	C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O1)O)O	KQNZDYYTLMIZCT-KQPMLPITSA-N
DG00362	Nocodazole	4122	"Nocodazole; 31430-18-9; Oncodazole; R 17934; Nocodazolum; Nocodazol; NSC 238159; R 17,934; Methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate; C14H11N3O3S; methyl (5-(thiophene-2-carbonyl)-1H-benzo[d]imidazol-2-yl)carbamate; UNII-SH1WY3R615; Methyl 5-(2-thenoyl)-2-benzimidazolecarbamate; Methyl N-(5-thenoyl-2-benzimidazolyl)carbamate; NSC-238159; Methyl [5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl]carbamate; N-(5-(2-Thenoyl)-2-benzimidazolyl)carbamic acid methyl ester; NSC238159; Methyl (5-(2-thienylcarbonyl))-1H-benzimidazole-2-ylcarbamate; R-17934; 2-Benzimidazolecarbamic acid, 5-(2-thienylcarbonyl)-, methyl ester; CHEMBL9514; MLS001164242; SH1WY3R615; 2-Benzimidazolecarbamic acid, 5-(2-thenoyl)-, methyl ester; CHEBI:34892; Methyl (5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl)carbamate; Carbamic acid, (5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl)-, methyl ester; MFCD00005588; NCGC00015647-05; Nocidazole; SMR000326904; CAS-31430-18-9; [5-(2-Thienylcarbonyl)-1H-benzimidazol-2-yl]-carbamic acid methyl ester; methyl (6-(thiophene-2-carbonyl)-1H-benzo[d]imidazol-2-yl)carbamate; Carbamic acid, (5-(2-thienylcarbonyl)-1H-benzimidazole-2-yl)-, methyl ester; Carbamic acid, [5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl]-, methyl ester; Methyl 5-(2-thienoyl)-2-benzimidazolecarbamate; DSSTox_CID_11800; DSSTox_RID_78890; DSSTox_GSID_31800; 2-Benzimidazolecarbamic acid, 5-(2-thienoyl)-, methyl ester; Methyl [5-(2-thienylcarbonyl)-1H- benzimidazol-2-yl]carbamate; methyl [6-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate; N-(5-(2-Thienoyl)-2-benzimidazolyl)carbamic acid methyl ester; methyl N-[5-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate; Nocodazole [USAN:INN]; Nocodazol [INN-Spanish]; Nocodazolum [INN-Latin]; R17934; SR-01000075979; EINECS 250-626-5; NSC 238 159; Nococazole; Methyl(5-(2-thienylcarbonyl))-1H-benzimidazole-2-yl carbamate; Methyl[5-(2-thienylcarbonyl)]-1H-benzimidazole-2-yl carbamate; N-[5-(2-Thenoyl)-2-benzimidazolyl]carbamic acid methyl ester; N-[5-(2-Thienoyl)-2-benzimidazolyl]carbamic acid methyl ester; (5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl)-carbamic acid methyl ester; Carbamic acid, (5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl)-, methyl ester (9CI); Carbamic acid, [5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl]-, methyl ester (9CI); NZO; Prestwick_359; Tocris-1228; 3ee2; Nocodazole (USAN/INN); Prestwick0_000100; Prestwick1_000100; Prestwick2_000100; Prestwick3_000100; Spectrum3_001768; Spectrum4_001060; Lopac-M-1404; ChemDiv1_000089; Probes1_000012; Probes1_000176; Probes2_000086; Probes2_000148; UPCMLD-DP111; Cambridge id 5175348; cid_4122; SCHEMBL9477; Lopac0_000733; Oprea1_483899; Oprea1_741554; BSPBio_000060; BSPBio_000982; BSPBio_003235; CBDivE_004971; CBDivE_008428; KBioGR_000322; KBioGR_001360; KBioSS_000322; MLS000860046; BIDD:GT0494; SPECTRUM1503266; Nocodazole Ready Made Solution; SPBio_001999; BPBio1_000066; DTXSID9031800; UPCMLD-DP111:001; BCBcMAP01_000161; BDBM97233; HMS587E01; KBio2_000322; KBio2_002890; KBio2_005458; KBio3_000643; KBio3_000644; KBio3_002735; ZINC56509; AOB6196; Bio1_000461; Bio1_000950; Bio1_001439; Bio2_000331; Bio2_000811; HMS1362B03; HMS1568C22; HMS1792B03; HMS1922O09; HMS1990B03; HMS2094G13; HMS2095C22; HMS2235E18; HMS3262C08; HMS3267F03; HMS3403B03; HMS3412A10; HMS3604E13; HMS3656J06; HMS3676A10; HMS3712C22; Pharmakon1600-01503266; BCP07558; EX-A5289; Tox21_110189; Tox21_500733; 2593AH; NSC759882; s2775; STK832483; Nocodazole, >=99% (TLC), powder; AKOS000538825; AKOS015901529; Tox21_110189_1; API0003615; CCG-101240; CCG-208075; CP-0076; CS-1893; DB08313; LP00733; MCULE-3133043736; NSC-759882; SB19455; SDCCGSBI-0050711.P003; IDI1_002086; QTL1_000062; SMP2_000261; NCGC00015647-01; NCGC00015647-02; NCGC00015647-03; NCGC00015647-04; NCGC00015647-06; NCGC00015647-07; NCGC00015647-08; NCGC00015647-09; NCGC00015647-10; NCGC00015647-11; NCGC00015647-12; NCGC00015647-13; NCGC00015647-14; NCGC00015647-15; NCGC00015647-18; NCGC00015647-33; NCGC00025058-01; NCGC00025058-02; NCGC00025058-03; NCGC00025058-04; NCGC00025058-05; NCGC00025058-06; NCGC00025058-07; NCGC00025058-08; NCGC00025058-09; NCGC00025058-10; NCGC00261418-01; AC-25615; AM807900; HY-13520; NCI60_001911; SBI-0050711.P002; AB0109635; EU-0100733; FT-0660415; SW102861-5; D05197; M 1404; 4-HYDROXY-3-IODO-BIPHENYL-4-CARBONITRILE; R17,934; Q2506092; SR-01000075979-1; SR-01000075979-3; SR-01000075979-6; SR-01000075979-9; W-202288; BRD-K12539581-001-06-2; BRD-K12539581-001-14-6; methyl 6-(thien-2-ylcarbonyl)-1H-benzimidazol-2-ylcarbamate; 2-Benzimidazolecarbamic acid, 5-(2-thenoyl)-, methyl ester (8CI); methyl [5-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate; methyl N-(6-thiophen-2-ylcarbonyl-1H-benzimidazol-2-yl)carbamate; methyl(6-(thiophene-2-carbonyl)-1H-benzo[d]imidazol-2-yl)carbamate; N-[6-(2-thenoyl)-1H-benzimidazol-2-yl]carbamic acid methyl ester; [[5-(2-Thienylcarbonyl)-1H-benzimidazol-2-yl]]carbamic acid methyl ester; [5-(2-Thienylcarbonyl)-1H-benzimidazol-2-yl]carbonic acid, methyl ester; carbamic acid, [6-(2-thienylcarbonyl)-1H-benzimidazol-2-yl]-, methyl ester; Carbamic acid, N-[5-(2-thenoyl)-1H-benzimidazol-2-yl]-, methyl ester; [5-(Thiophene-2-carbonyl)-1H-benzoimidazol-2-yl]-carbamic acid methyl ester; Carbamic acid, N-[6-(2-thienylcarbonyl)-1H-benzimidazol-2-yl]-, methyl ester; N-[6-[oxo(thiophen-2-yl)methyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB08313	.	.	301.32	C14H11N3O3S	112	420	2.8	21	2	5	4	"1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CS3	KYRVNWMVYQXFEU-UHFFFAOYSA-N
DG00363	Cevipabulin	11488110	"Cevipabulin; 849550-05-6; UNII-P14M0DWS2J; TTI-237; P14M0DWS2J; 849550-05-6 (free base); 5-Chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-((1S)-2,2,2-trifluoro-1-methylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine; 5-chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-[(1S)-2,2,2-trifluoro-1- methylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.; 5-chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine; Cevipabulin [INN]; TTI 237; 5-chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine; Cevipabulin(TTI 237); SCHEMBL4042827; CHEMBL1182714; AOB5715; DTXSID00233997; EX-A607; BCP28162; MFCD09832720; ZINC13981125; CS-4196; DB12533; HY-14949; B5922; A12591; 550C056; J-690362; Q27285989; TTI 237; TTI-237; TTI237; D06576; D 06576; D-06576; (S)-5-Chloro-6-(2,6-difluoro-4-(3-(methylamino)propoxy)phenyl)-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine; 5-chloro-6-{2,6-difluoro-4-[3-(methylamino) propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine; 5-chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine; 5-chloro-6{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine"	Terminated	10	Discontinued Drug(s)	Terminated	Small molecular drug	.	.	DB12533	.	.	464.8	C18H18ClF5N6O	76.4	566	4.6	31	2	11	8	"1S/C18H18ClF5N6O/c1-9(18(22,23)24)28-16-14(15(19)29-17-26-8-27-30(16)17)13-11(20)6-10(7-12(13)21)31-5-3-4-25-2/h6-9,25,28H,3-5H2,1-2H3/t9-/m0/s1"	C[C@@H](C(F)(F)F)NC1=C(C(=NC2=NC=NN12)Cl)C3=C(C=C(C=C3F)OCCCNC)F	ZUZPCOQWSYNWLU-VIFPVBQESA-N
DG00364	Cadmium	23973	"7440-43-9; Cadmium; Cd; Colloidal cadmium; Cadmium, elemental; Kadmium; UNII-00BH33GNGH; Cadmium hydride (CdH2); MFCD00010914; 00BH33GNGH; Cadmium compounds; Kadmium [German]; 72172-64-6; cadmio; Cadmium powder; Cadmium, Reference Standard Solution; CCRIS 112; HSDB 282; 81271-94-5; Cadmium, mass of 135; EINECS 231-152-8; Cadmium metal; Cadmium pieces; C I 77180; Cadmium granules; C.I. 77180; Elemental cadmium; CD135; Cadmium single crystal, 15mm (0.59in) dia, 50mm (2.0in) long, (111) orientation, +/-2 degrees; Cadmium, p.a.; Cadmium metal-sticks; Cadmium shot, 3N5; Cadmium [Cadmium and cadmium compounds]; Cadmium powder 325 mesh; 48Cd; Cadmium, >=99.9%; EC 231-152-8; Cadmium powder - 100mesh; Cadmium [Cadmium and certain cadmium compounds]; Cadmium powder, -200 mesh; Cadmium powder, -325 mesh; Cadmium, thermovacuum aerosol; Aerosol of thermovacuum cadmium; Cadmium shot, 5cm (2in) dia; DTXSID1023940; NIOSH/EV3380000; CHEBI:22977; CHEBI:37249; Cadmium powder, 99.999%, 5N; 8234AF; AKOS015902734; Cadmium rod, 12.7mm (0.5in) dia; DB14085; Cadmium foil, 0.5mm (0.02in) thick; Cadmium shot, tear drop, -5+20 mesh; Cadmium shot, tear drop, 3mm (0.1in); Cadmium, granular, >=99%, 5-20 mesh; Cadmium, granular, 30-80 mesh, >=99%; Cadmium, purum p.a., for filling reductors; Cadmium rod, 8mm (0.3in) dia, Puratronic; EV33800000; Q1091; C01413; Cadmium, rod, 25mm, diameter 40mm, 99.9%; Cadmium, rod, 50mm, diameter 40mm, 99.9%; H11246; Cadmium, rod, 100mm, diameter 40mm, 99.9%; Cadmium shot, 1-3mm (0.04-0.1in), Puratronic ; Cadmium wire, 0.64mm (0.025in) dia, Puratronic; Cadmium, rod, 50mm, diameter 10.0mm, 99.999%; Cadmium, shot, 3 mm, 99.999% trace metals basis; Cadmium foil, 0.025mm (0.001in) thick, Puratronic; Cadmium, rod, 100mm, diameter 10.0mm, 99.999%; Cadmium, rod, 200mm, diameter 10.0mm, 99.999%; Cadmium, foil, 4mm disks, thickness 0.01mm, 99.7+%; Cadmium, foil, 6mm disks, thickness 0.01mm, 99.7+%; Cadmium, foil, 8mm disks, thickness 0.01mm, 99.7+%; Cadmium, powder, -100 mesh, 99.5% trace metals basis; Cadmium, foil, 10mm disks, thickness 0.005mm, 99.7+%; Cadmium, foil, 10mm disks, thickness 0.015mm, 99.7+%; Cadmium, foil, 10mm disks, thickness 0.01mm, 99.7+%; Cadmium, foil, 10mm disks, thickness 0.025mm, 99.7+%; Cadmium, foil, 15mm disks, thickness 0.005mm, 99.7+%; Cadmium, foil, 15mm disks, thickness 0.015mm, 99.7+%; Cadmium, foil, 15mm disks, thickness 0.01mm, 99.7+%; Cadmium, foil, 15mm disks, thickness 0.025mm, 99.7+%; Cadmium, foil, 4mm disks, thickness 0.005mm, 99.7+%; Cadmium, foil, 4mm disks, thickness 0.015mm, 99.7+%; Cadmium, foil, 4mm disks, thickness 0.025mm, 99.7+%; Cadmium, foil, 6mm disks, thickness 0.005mm, 99.7+%; Cadmium, foil, 6mm disks, thickness 0.015mm, 99.7+%; Cadmium, foil, 6mm disks, thickness 0.025mm, 99.7+%; Cadmium, foil, 8mm disks, thickness 0.005mm, 99.7+%; Cadmium, foil, 8mm disks, thickness 0.015mm, 99.7+%; Cadmium, foil, 8mm disks, thickness 0.025mm, 99.7+%; Cadmium, rod, diam. 4.0 mm, 99.999% trace metals basis; Cadmium, wire reel, 1m, diameter 0.5mm, hard, 99.95+%; Cadmium, wire reel, 1m, diameter 0.5mm, hard, 99.99+%; Cadmium, wire reel, 1m, diameter 1.0mm, hard, 99.999%; Cadmium, wire reel, 2m, diameter 0.5mm, hard, 99.95+%; Cadmium, wire reel, 2m, diameter 0.5mm, hard, 99.99+%; Cadmium, wire reel, 5m, diameter 0.5mm, hard, 99.95+%; Cadmium, wire reel, 5m, diameter 0.5mm, hard, 99.99+%; Cadmium wire, 0.5mm (0.02in) dia, 99.998% (metals basis); Cadmium wire, 1.0mm (0.04in) dia, 99.998% (metals basis); Cadmium wire, 2.0mm (0.08in) dia, 99.998% (metals basis); Cadmium, foil, 0.5m coil, thickness 0.5mm, as rolled, 100%; Cadmium, foil, 10mm disks, thickness 1.0mm, as rolled, 100%; Cadmium, foil, 15mm disks, thickness 1.0mm, as rolled, 100%; Cadmium, foil, 1m coil, thickness 0.5mm, as rolled, 100%; Cadmium, foil, 25mm disks, thickness 1.0mm, as rolled, 100%; Cadmium, foil, 2m coil, thickness 0.5mm, as rolled, 100%; Cadmium, foil, 4mm disks, thickness 1.0mm, as rolled, 100%; Cadmium, foil, 50mm disks, thickness 1.0mm, as rolled, 100%; Cadmium, foil, 50x50mm, thickness 3.0mm, as rolled, 99.9%; Cadmium, foil, 6mm disks, thickness 1.0mm, as rolled, 100%; Cadmium, foil, 8mm disks, thickness 1.0mm, as rolled, 100%; Cadmium, purum p.a., for metal reduction, 99.99%, granular; Cadmium, rod, 1000mm, diameter 5.0mm, as drawn, 99.99+%; Cadmium, rod, 100mm, diameter 5.0mm, as drawn, 99.99+%; Cadmium, rod, 150mm, diameter 10.0mm, as drawn, 99.99+%; Cadmium, rod, 200mm, diameter 5.0mm, as drawn, 99.99+%; Cadmium, rod, 300mm, diameter 10.0mm, as drawn, 99.99+%; Cadmium, rod, 500mm, diameter 5.0mm, as drawn, 99.99+%; Cadmium, wire reel, 0.1m, diameter 0.25mm, hard, 99.99+%; Cadmium, wire reel, 0.1m, diameter 0.5mm, hard, 99.95+%; Cadmium, wire reel, 0.1m, diameter 0.5mm, hard, 99.99+%; Cadmium, wire reel, 0.1m, diameter 1.0mm, hard, 99.999%; Cadmium, wire reel, 0.1m, diameter 2.0mm, hard, 99.99+%; Cadmium, wire reel, 0.2m, diameter 0.25mm, hard, 99.99+%; Cadmium, wire reel, 0.2m, diameter 0.5mm, hard, 99.95+%; Cadmium, wire reel, 0.2m, diameter 0.5mm, hard, 99.99+%; Cadmium, wire reel, 0.2m, diameter 1.0mm, hard, 99.999%; Cadmium, wire reel, 0.2m, diameter 2.0mm, hard, 99.99+%; Cadmium, wire reel, 0.5m, diameter 0.25mm, hard, 99.99+%; Cadmium, wire reel, 0.5m, diameter 0.5mm, hard, 99.95+%; Cadmium, wire reel, 0.5m, diameter 0.5mm, hard, 99.99+%; Cadmium, wire reel, 0.5m, diameter 1.0mm, hard, 99.999%; Cadmium, wire reel, 0.5m, diameter 2.0mm, hard, 99.99+%; Cadmium, wire reel, 10m, diameter 0.25mm, hard, 99.99+%; Cadmium, wire reel, 1m, diameter 0.125mm, as drawn, 99.9%; Cadmium, wire reel, 1m, diameter 0.25mm, hard, 99.99+%; Cadmium, wire reel, 1m, diameter 1.2mm, as drawn, 99.99+%; Cadmium, wire reel, 2m, diameter 0.125mm, as drawn, 99.9%; Cadmium, wire reel, 2m, diameter 1.2mm, as drawn, 99.99+%; Cadmium, wire reel, 5m, diameter 0.125mm, as drawn, 99.9%; Cadmium, wire reel, 5m, diameter 0.25mm, hard, 99.99+%; Cadmium, wire, diam. 1.0 mm, 99.999% trace metals basis; Cadmium foil, 0.05mm (0.002in) thick, 99.999% (metals basis); Cadmium foil, 0.1mm (0.004in) thick, 99.9975% (metals basis); Cadmium foil, 0.25mm (0.01in) thick, 99.9975% (metals basis); Cadmium foil, 0.5mm (0.02in) thick, 99.9975% (metals basis); Cadmium foil, 1.0mm (0.04in) thick, 15x15cm (5.9x5.9in); Cadmium foil, 1.0mm (0.04in) thick, 99.998% (metals basis); Cadmium foil, 2.0mm (0.08in) thick, 99.998% (metals basis); Cadmium ingot/button, ca. 36mm (1.4in) dia x 8mm (0.3in) thick; Cadmium wire, 0.3mm (0.013in) dia, 99.999% (metals basis); Cadmium, foil, 100x100mm, thickness 0.25mm, as rolled, 99.99%; Cadmium, foil, 100x100mm, thickness 0.5mm, as rolled, 99.95%; Cadmium, foil, 100x100mm, thickness 1.0mm, as rolled, 99.99%; Cadmium, foil, 100x100mm, thickness 2.0mm, as rolled, 99.99%; Cadmium, foil, 100x100mm, thickness 3.0mm, as rolled, 99.9%; Cadmium, foil, 10mm disks, thickness 0.05mm, as rolled, 99.99+%; Cadmium, foil, 10mm disks, thickness 0.125mm, as rolled, 99.95%; Cadmium, foil, 10mm disks, thickness 0.25mm, as rolled, 99.9%; Cadmium, foil, 10mm disks, thickness 0.25mm, as rolled, 99.95%; Cadmium, foil, 10mm disks, thickness 0.25mm, as rolled, 99.99+%; Cadmium, foil, 10mm disks, thickness 0.5mm, as rolled, 99.95%; Cadmium, foil, 10mm disks, thickness 1.0mm, as rolled, 99.95%; Cadmium, foil, 150x150mm, thickness 0.25mm, as rolled, 99.95%; Cadmium, foil, 150x150mm, thickness 0.5mm, as rolled, 99.99%; Cadmium, foil, 150x150mm, thickness 1.0mm, as rolled, 99.95%; Cadmium, foil, 150x150mm, thickness 3.0mm, as rolled, 99.9%; Cadmium, foil, 15mm disks, thickness 0.05mm, as rolled, 99.99+%; Cadmium, foil, 15mm disks, thickness 0.125mm, as rolled, 99.95%; Cadmium, foil, 15mm disks, thickness 0.25mm, as rolled, 99.9%; Cadmium, foil, 15mm disks, thickness 0.25mm, as rolled, 99.95%; Cadmium, foil, 15mm disks, thickness 0.25mm, as rolled, 99.99+%; Cadmium, foil, 15mm disks, thickness 0.5mm, as rolled, 99.95%; Cadmium, foil, 15mm disks, thickness 1.0mm, as rolled, 99.95%; Cadmium, foil, 195x200mm, thickness 1.0mm, as rolled, 99.95%; Cadmium, foil, 200x200mm, thickness 0.5mm, as rolled, 99.99%; Cadmium, foil, 200x200mm, thickness 1.0mm, as rolled, 99.99%; Cadmium, foil, 25mm disks, thickness 0.05mm, as rolled, 99.99+%; Cadmium, foil, 25mm disks, thickness 0.125mm, as rolled, 99.95%; Cadmium, foil, 25mm disks, thickness 0.25mm, as rolled, 99.9%; Cadmium, foil, 25mm disks, thickness 0.25mm, as rolled, 99.95%; Cadmium, foil, 25mm disks, thickness 0.25mm, as rolled, 99.99+%; Cadmium, foil, 25mm disks, thickness 0.5mm, as rolled, 99.95%; Cadmium, foil, 25mm disks, thickness 1.0mm, as rolled, 99.95%; Cadmium, foil, 25x25mm, thickness 0.125mm, as rolled, 99.99+%; Cadmium, foil, 25x25mm, thickness 0.25mm, as rolled, 99.9%; Cadmium, foil, 25x25mm, thickness 0.25mm, as rolled, 99.99+%; Cadmium, foil, 25x25mm, thickness 0.5mm, as rolled, 99.999%; Cadmium, foil, 25x25mm, thickness 1.0mm, as rolled, 99.999%; Cadmium, foil, 300x1000mm, thickness 2.0mm, as rolled, 99.99%; Cadmium, foil, 300x300mm, thickness 0.25mm, as rolled, 99.95%; Cadmium, foil, 300x300mm, thickness 0.5mm, as rolled, 99.99%; Cadmium, foil, 300x300mm, thickness 2.0mm, as rolled, 99.99%; Cadmium, foil, 30x100mm, thickness 0.5mm, as rolled, 99.999%; Cadmium, foil, 30x150mm, thickness 0.5mm, as rolled, 99.999%; Cadmium, foil, 30x50mm, thickness 0.5mm, as rolled, 99.999%; Cadmium, foil, 4mm disks, thickness 0.05mm, as rolled, 99.99+%; Cadmium, foil, 4mm disks, thickness 0.125mm, as rolled, 99.95%; Cadmium, foil, 4mm disks, thickness 0.125mm, as rolled, 99.99+%; Cadmium, foil, 4mm disks, thickness 0.25mm, as rolled, 99.9%; Cadmium, foil, 4mm disks, thickness 0.25mm, as rolled, 99.95%; Cadmium, foil, 4mm disks, thickness 0.25mm, as rolled, 99.99+%; Cadmium, foil, 4mm disks, thickness 0.5mm, as rolled, 99.95%; Cadmium, foil, 4mm disks, thickness 1.0mm, as rolled, 99.95%; Cadmium, foil, 50mm disks, thickness 0.05mm, as rolled, 99.99+%; Cadmium, foil, 50mm disks, thickness 0.125mm, as rolled, 99.95%; Cadmium, foil, 50mm disks, thickness 0.25mm, as rolled, 99.95%; Cadmium, foil, 50mm disks, thickness 0.5mm, as rolled, 99.95%; Cadmium, foil, 50x100mm, thickness 1.0mm, as rolled, 99.999%; Cadmium, foil, 50x200mm, "	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB14085	.	.	112.41	Cd	0	0	.	1	0	0	0	1S/Cd	[Cd]	BDOSMKKIYDKNTQ-UHFFFAOYSA-N
DG00365	Desethylamodiaquine	122068	"Desethylamodiaquine; Monodesethylamodiaquine; 79352-78-6; N-DESETHYL AMODIAQUINE; UNII-BY36SG7NP9; BY36SG7NP9; CHEMBL1235; 4-[(7-chloroquinolin-4-yl)amino]-2-(ethylaminomethyl)phenol; N-MONODESETHYLAMODIAQUINE (DEAQ); 4-((7-Chloroquinolin-4-yl)amino)-2-((ethylamino)methyl)phenol; N-Desethyl amodiaquine diHCl; N-desethylamodiaquine; bidesethylamodiaquine; 4-((7-Chloro-4-quinolinyl)amino)-2-((ethylamino)methyl)phenol; DESETHYL AMODIAQUINE; SCHEMBL14067597; DTXSID20229630; BCP34368; ZINC5139697; BDBM50056190; AKOS025401980; SB73009; AC-27753; HY-128554; CS-0095816; FT-0665940; A933931; 4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl-phenol; 4-[(7-chloro-4-quinolyl)amino]-2-(ethylaminomethyl)phenol; Phenol, 4-((7-chloro-4-quinolinyl)amino)-2-((ethylamino)methyl)-; N-Desethyl Amodiaquine-d5 Phenol,2-(aminomethyl)-4-[(7-chloro-4-quinolinyl)amino]-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	327.8	C18H18ClN3O	57.2	370	2.3	23	3	4	5	"1S/C18H18ClN3O/c1-2-20-11-12-9-14(4-6-18(12)23)22-16-7-8-21-17-10-13(19)3-5-15(16)17/h3-10,20,23H,2,11H2,1H3,(H,21,22)"	CCNCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O	VRXFDHAGFYWGHT-UHFFFAOYSA-N
DG00366	Disorazole C1	101668901	Disorazole C1; 158181-52-3	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	774.9	C44H58N2O10	164	1350	8.9	56	2	12	8	"1S/C44H58N2O10/c1-9-21-35(47)43(3,4)37-25-19-15-11-13-17-23-32(52-8)28-40-46-34(30-54-40)42(50)56-38(44(5,6)36(48)22-10-2)26-20-16-12-14-18-24-31(51-7)27-39-45-33(29-53-39)41(49)55-37/h9-24,29-32,35-38,47-48H,25-28H2,1-8H3/b13-11-,14-12-,19-15-,20-16-,21-9+,22-10+,23-17-,24-18-/t31-,32-,35-,36-,37-,38-/m0/s1"	C/C=C/[C@H](O)C([C@H]1OC(=O)C2=COC(=N2)C[C@H](/C=C\\C=C/C=C\\C[C@H](OC(=O)C3=COC(=N3)C[C@H](/C=C\\C=C/C=C\\C1)OC)C([C@@H](O)/C=C/C)(C)C)OC)(C)C	FGVAPNZAWLGHCU-BBJFQTBJSA-N
DG00367	Disorazole A1	44566233	Disorazole A1; CHEMBL501853; SCHEMBL13593476	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	758.9	C43H54N2O10	167	1490	8.3	55	2	12	7	"1S/C43H54N2O10/c1-8-18-34(46)42(3,4)36-23-14-12-10-11-13-20-29(50-7)26-39-45-31(28-52-39)41(49)55-37(43(5,6)35(47)19-9-2)24-17-22-33-32(53-33)21-15-16-25-38-44-30(27-51-38)40(48)54-36/h8-22,25,27-29,32-37,46-47H,23-24,26H2,1-7H3/b11-10-,14-12-,18-8+,19-9+,20-13+,21-15+,22-17-,25-16-/t29-,32-,33+,34-,35-,36-,37-/m0/s1"	C/C=C/[C@@H](C(C)(C)[C@@H]1C/C=C\\C=C/C=C/[C@@H](CC2=NC(=CO2)C(=O)O[C@@H](C/C=C\\[C@@H]3[C@@H](O3)/C=C/C=C\\C4=NC(=CO4)C(=O)O1)C(C)(C)[C@H](/C=C/C)O)OC)O	FRFRWOXVYJSPCG-YEYPPUHMSA-N
DG00368	4-Nitroquinoline N-oxide	5955	"4-Nitroquinoline N-oxide; 56-57-5; 4-Nitroquinoline 1-oxide; 4-Nitroquinoline-1-oxide; 4-NITROQUINOLINE-N-OXIDE; Nitrochin; 4-NQO; Quinoline, 4-nitro-, 1-oxide; 4-Nitroquinoline oxide; 4-nitro-1-oxidoquinolin-1-ium; 4 NQO; 4-nitroquinolin-1-ium-1-olate; CHEBI:16907; 4-Nitroquinolin-1-oxide; Quinoline, 4-nitro-, oxide; CCRIS 458; 4-nitroquinolin-1-ol; HSDB 4316; 4-Nitrochinolin N-oxid; NSC 19645; AI3-60200; UNII-X5081510EV; 4-Nitrochinoline-N-oxide; BIDD:ER0541; SCHEMBL105454; CHEMBL127655; WLN: T66 BNJ BO ENW; DTXSID5025780; CS-D0398; EX-A4093; NSC19645; ZINC1529664; 4-Nitroquinoline N-oxide, >=98%; AB4039; MFCD00006738; NSC-19645; AKOS015897246; SB67483; X5081510EV; AS-58188; DB-052942; FT-0619297; N0250; Z2900; 4-Nitroquinoline N-oxide, analytical standard; C03474; 95599-EP2277881A1; 95599-EP2305672A1; AC-907/25014229; Quinoline, 4-nitro-, 1-oxide (6CI,8CI,9CI); J-515890; J-640451; J-800475; Q4637188; NQO"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	190.16	C9H6N2O3	71.3	229	1.1	14	0	3	0	1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H	C1=CC=C2C(=C1)C(=CC=[N+]2[O-])[N+](=O)[O-]	YHQDZJICGQWFHK-UHFFFAOYSA-N
DG00369	Gentamicin C	3084091	"Gentamicin C; 11097-82-8; (2R,3S,4R,5R)-2-[(1S,2R,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; Gentamicin C complex"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	449.5	C19H39N5O7	214	592	-5	31	8	12	6	"1S/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3/t8-,9+,10-,11+,12+,13-,14+,15-,16+,17+,18+,19-/m0/s1"	C[C@@]1(CO[C@@H]([C@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O	VEGXETMJINRLTH-ALRICIOSSA-N
DG00370	Sisomicin	36119	"Sisomicin; Rickamicin; Sisomycin; 32385-11-8; Sissomicin; Antibiotic 6640; Antibiotic 66-40; Sch 13475; Dehydrogentamicin Cla; Sch-13475; UNII-X55XSL74YQ; X55XSL74YQ; CHEBI:9169; Sisomin; D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-4))-2-deoxy-; Sisomicinum; Sisomicina; Sisomicine; (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; Sch 13475 sulfate; Sisomicine [INN-French]; Sisomicinum [INN-Latin]; Salvamina; Sisomicina [INN-Spanish]; Siseptin sulfate; (1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yloxy]-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside; (1s,2s,3r,4s,6r)-4,6-Diamino-3-{[(2s,3r)-3-Amino-6-(Aminomethyl)-3,4-Dihydro-2h-Pyran-2-Yl]oxy}-2-Hydroxycyclohexyl 3-Deoxy-4-C-Methyl-3-(Methylamino)-Beta-L-Arabinopyranoside; (2R,3R,4R,5R)-2-(((1S,2S,3R,4S,6R)-4,6-diamino-3-(((2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl)oxy)-2-hydroxycyclohexyl)oxy)-5-methyl-4-(methylamino)tetrahydro-2H-pyran-3,5-diol; O-2,6-Diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-2-deoxy-D-streptamine; C19H37N5O7; EINECS 251-018-2; BRN 1357913; Sisomicin [USAN:INN:BAN]; Sch13475; sisomicin-sulfate; SiS; SISO; Sisomicin (USAN/INN); SCHEMBL49395; O-2,6-Diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-2-deoxy-D-streptamine; O-3-Deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-4)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-6))-2-deoxy-L-streptamine; CHEMBL221886; GTPL10858; ZINC56870809; AKOS015895179; DB12604; (2S-cis)-4-O-(3-Amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl)-2-deoxy-6-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl)-D-streptamine; 85S118; C00494; D02544; Q3962119; (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol; (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12604	.	DR2408	447.5	C19H37N5O7	214	643	-5.1	31	8	12	6	"1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1"	C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O	URWAJWIAIPFPJE-YFMIWBNJSA-N
DG00371	Colistin A	202195	"Colistin A; Polymyxin E1; Colistin IV; Polymixin E1; CHEBI:59064; 4,10-anhydro{N-[(6R)-6-methyloctanoyl]-L-2,4-diaminobutanoyl-L-threonyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-D-leucyl-L-leucyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-threonine}; NCGC00161620-01; DSSTox_CID_29005; DSSTox_RID_83270; DSSTox_GSID_49079; SCHEMBL49226; CHEMBL3183122; Tox21_113638; CAS-7722-44-3; Q27126429"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	1169.5	C53H100N16O13	491	2070	-2.8	82	18	18	29	"1S/C53H100N16O13/c1-9-30(6)12-10-11-13-41(72)60-33(14-20-54)48(77)69-43(32(8)71)53(82)65-36(17-23-57)45(74)64-38-19-25-59-52(81)42(31(7)70)68-49(78)37(18-24-58)62-44(73)34(15-21-55)63-50(79)39(26-28(2)3)67-51(80)40(27-29(4)5)66-46(75)35(16-22-56)61-47(38)76/h28-40,42-43,70-71H,9-27,54-58H2,1-8H3,(H,59,81)(H,60,72)(H,61,76)(H,62,73)(H,63,79)(H,64,74)(H,65,82)(H,66,75)(H,67,80)(H,68,78)(H,69,77)/t30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40-,42+,43+/m1/s1"	CC[C@@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)[C@@H](C)O	XDJYMJULXQKGMM-RVYUQJQSSA-N
DG00372	Colistin B	25138298	"Colistin b; Polymyxin E2; 7239-48-7; UNII-B142O7Y03E; CHEBI:59673; B142O7Y03E; polymyxin E2 sulfate; N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methylheptanamide; 4,10-anhydro[N-(6-methylheptanoyl)-L-2,4-diaminobutanoyl-L-threonyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-D-leucyl-L-leucyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-threonine]; SCHEMBL1860364; CHEMBL1089240; Polymyxin E2 sulfate (P056); Q27126844; UNII-Z67X93HJG1 component KNIWPHSUTGNZST-SSWRVQTPSA-N; 30387-41-8"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	1155.4	C52H98N16O13	491	2050	-3.3	81	18	18	28	"1S/C52H98N16O13/c1-27(2)11-9-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-28(3)4)66-50(79)39(26-29(5)6)65-45(74)34(15-21-55)60-46(37)75/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,41+,42+/m1/s1"	C[C@H]([C@H]1C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCN)CCN)CC(C)C)CC(C)C)CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)CCCCC(C)C)O	KNIWPHSUTGNZST-SSWRVQTPSA-N
DG00373	Gentamicin B	11754987	"Gentamicin B; BETAMICIN; 36889-15-3; Gentamycin B; UNII-67W9DGG4C7; 67W9DGG4C7; Sch 14342; (2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol; Betamicina; Betamicine; Betamicinum; Betamicin [INN]; Betamicine [INN-French]; Betamicinum [INN-Latin]; Betamicina [INN-Spanish]; SCHEMBL509198; CHEMBL2110604; ZINC8214501; Q27264175; (2R,3S,4S,5R,6R)-2-(aminomethyl)-6-((1R,2R,3S,4R,6S)-4,6-diamino-3-((2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)tetrahydro-2H-pyran-2-yloxy)-2-hydroxycyclohexyloxy)tetrahydro-2H-pyran-3,4,5-triol; D-Streptamine, O-6-amino-6-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-2-deoxy-; O-6-Amino-6-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-2-deoxy-D-streptamine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	482.5	C19H38N4O10	248	652	-6.2	33	10	14	6	"1S/C19H38N4O10/c1-19(29)5-30-17(13(28)16(19)23-2)32-14-6(21)3-7(22)15(12(14)27)33-18-11(26)10(25)9(24)8(4-20)31-18/h6-18,23-29H,3-5,20-22H2,1-2H3/t6-,7+,8-,9-,10+,11-,12-,13-,14+,15-,16-,17-,18-,19+/m1/s1"	C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N)N)O	RHRAMPXHWHSKQB-GGEUKFTFSA-N
DG00374	Pristinamycin IIA	5459319	"Virginiamycin m1; Streptogramin A; Mikamycin A; Pristinamycin IIA; Ostreogrycin a; Virginiamycin Factor M1; 21411-53-0; UNII-8W4UOL59AZ; 8W4UOL59AZ; CHEBI:9997; VERNAMYCIN A; NSC87434; NSC 244426; Vernamycin A & B mixture; SCHEMBL673193; CHEMBL1236670; HY-N6686; EINECS 244-376-6; MFCD00869411; NSC 87432; NSC-87434; Vernamycin A & vernamycin B (1:1); DB01669; Vernamycin A, mixture with vernamycin B; VERNAMYCIN A & B MIXTURE (1:1); CS-0019826; Virginiamycin M1 100 microg/mL in Acetonitrile; UNII-4O8O7Q7IU4 component DAIKHDNSXMZDCU-FQTGFAPKSA-N; (3R,4R,5E,10E,12E,14S)-14-hydroxy-3-isopropyl-4,12-dimethyl-8,9,14,15,24,25-hexahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone; (3R,4R,5E,10E,12E,14S)-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-8,9,14,15,24,25-hexahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone; 8,9,14,15,24,25-Hexahydro-14-hydroxy-3-isopropyl-4,12-dimethyl-3H-21,18-nitrilo-1H,22H-pyrrolo(2,1-c)(1,8,4,19)dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone; 8,9,14,15,24,25-Hexahydro-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-3H-21,18-nitrilo-1H,22H-pyrrolo(2,1-c)(1,8,4,19)dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB01669	.	.	525.6	C28H35N3O7	139	1030	2.5	38	2	8	1	"1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1"	C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)/C	DAIKHDNSXMZDCU-FQTGFAPKSA-N
DG00375	Dibekacin	470999	"Dibekacin; Panamicin; Dideoxykanamycin B; 34493-98-6; 3',4'-Dideoxykanamycin B; UNII-45ZFO9E525; BRN 1441606; CHEBI:37945; 45ZFO9E525; Debecacin; DKB; DKM; O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-6))-2-deoxy-L-streptamine; Dibekacina; Dibekacine; Dibekacinum; Kappati; (1R,2S,3S,4R,6S)-4,6-diamino-3-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside; (1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside; Dibekacin [INN:BAN]; Dibekacine [INN-French]; Dibekacinum [INN-Latin]; Dibekacina [INN-Spanish]; Dibekacin (INN); D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)-(1-4)-2-deoxy-; EINECS 252-064-6; Spectrum_001398; Spectrum2_001528; Spectrum3_000960; Spectrum4_001074; Spectrum5_001613; NCGC00095276-01; DSSTox_CID_2915; DSSTox_RID_76787; DSSTox_GSID_22915; SCHEMBL49816; KBioGR_001428; KBioSS_001878; SPBio_001316; CHEMBL560976; DTXSID2022915; KBio2_001878; KBio2_004446; KBio2_007014; KBio3_002060; HY-B1129; ZINC8214383; Tox21_111496; AC-315; AKOS025402025; CCG-213771; CS-4725; DB13270; NCGC00389765-01; CAS-34493-98-6; D07811; AB01563356_01; Q3706873; (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,5-diol; 84D"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB13270	.	DR2603	451.5	C18H37N5O8	248	579	-5.8	31	9	13	6	"1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1"	C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)N	JJCQSGDBDPYCEO-XVZSLQNASA-N
DG00376	Streptothricin	475825	"STREPTOTHRICINS; Streptothricin; 54003-27-9; EINECS 258-911-6; DTXSID60202321; [6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-(3,6-diaminohexanoylamino)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate; [6-[(E)-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-(3,6-diaminohexanoylamino)-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] carbamate"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	502.5	C19H34N8O8	269	816	-5.5	35	10	11	11	"1S/C19H34N8O8/c20-3-1-2-7(21)4-10(30)24-13-14(31)15(35-18(22)33)9(6-28)34-17(13)27-19-25-11-8(29)5-23-16(32)12(11)26-19/h7-9,11-15,17,28-29,31H,1-6,20-21H2,(H2,22,33)(H,23,32)(H,24,30)(H2,25,26,27)/t7 ,8-,9 ,11-,12+,13 ,14 ,15 ,17 /m1/s1"	C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)NC3C(C(C(C(O3)CO)OC(=O)N)O)NC(=O)CC(CCCN)N)O	NRAUADCLPJTGSF-WJPMJIHPSA-N
DG00377	Butirosina	72393	"Butirosina; Ambutyrosin; Butirosin; 12772-35-9; (2R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide; Butirosin [INN]; Butirosine; Butirosinum; Butirosine [INN-French]; Butirosinum [INN-Latin]; Butirosina [INN-Spanish]; DTXSID60925967; 4-Amino-N-{5-amino-4-[(2,6-diamino-2,6-dideoxyhexopyranosyl)oxy]-2-hydroxy-3-(pentofuranosyloxy)cyclohexyl}-2-hydroxybutanimidic acid"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	555.6	C21H41N5O12	312	772	-7.3	38	12	16	10	"1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8+,9+,10+,11+,12-,13+,14+,15+,16+,17+,18+,20+,21+/m0/s1"	C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@@H](CCN)O)O)O[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N	XEQLFNPSYWZPOW-NUOYRARPSA-N
DG00378	Florfenicol	114811	"Florfenicol; 73231-34-2; Nuflor; (-)-Florfenicol; Sch-25298; 76639-94-6; Sch 25298; Aquafen; Nuflor gold; C12H14Cl2FNO4S; UNII-9J97307Y1H; 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide; CHEBI:87185; MFCD00864834; D-threo-2,2-Dichloro-N-(alpha-(fluoromethyl)-beta-hydroxy-p-(methylsulfonyl)phenethyl)acetamide; 9J97307Y1H; Acetamide, 2,2-dichloro-N-((1S,2R)-1-(fluoromethyl)-2-hydroxy-2-(4-(methylsulfonyl)phenyl)ethyl)-; 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methanesulfonylphenyl)propan-2-yl]acetamide; 2,2-Dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)-2-propyl]acetamide; DSSTox_CID_25500; DSSTox_RID_80918; DSSTox_GSID_45500; 2,2-Dichloro-N-((1R,2S)-3-fluoro-1-hydroxy-1-(4-(methylsulfonyl)phenyl)propan-2-yl)acetamide; Florfenicol [USAN:INN:BAN]; 2,2-Dichloro-N-(1-(fluoromethyl)-2-hydroxy-2-(4-(methylsulfonyl)phenyl)ethyl)acetamide; NCGC00016922-01; CAS-73231-34-2; Nuflor (TN); Prestwick0_000955; Prestwick1_000955; Prestwick2_000955; Prestwick3_000955; Florfenicol (USAN/INN); SCHEMBL49425; BSPBio_000950; MLS002154071; SPBio_003099; BPBio1_001046; CHEMBL1241590; DTXSID9045500; SCHEMBL21835523; (-)-Florfenicol;SCH-25298; D-(-)-threo-2-Dichloroacetamido-3-fluoro-1-(4-methylsulfonylphenyl)-1-propanol; HMS1570P12; HMS2090I10; HMS2097P12; HMS2230K18; HMS3714P12; ZINC537733; ACT06682; HY-B1374; Aquafen; ; ; Nuflor; ; ; SCH-25298; Tox21_110683; s4201; AKOS015889457; Tox21_110683_1; AC-4340; CCG-220955; CS-4857; DB11413; KS-5028; NSC 759287; 2,2-dichloro-N-[(1S,2R)-1-(fluoromethyl)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide; NCGC00179366-01; NCGC00179366-03; NCGC00179366-04; [R-(R*,S*)]-2,2-Dichloro-N-[1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl]acetamide; 2,2-Dichloro-N-((alphaS,betaR)-alpha-(fluoromethyl)-beta-hydroxy-p-(methylsulfonyl)phenethyl)acetamide; 2,2-Dichloro-N-[(1S,2R)-1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl]acetamide; Acetamide, 2,2-dichloro-N-(1-(fluoromethyl)-2-hydroxy-2-(4-(methylsulfonyl)phenyl)ethyl)-, (R-(R*,S*))-; Benzenesulfonic acid, 4-(2-((dichloroacetyl)amino)-3-fluoro-1-hydroxypropyl)-, methyl ester, (R-(R*,S*))-; BF166386; SMR001233384; AB0008500; (methylsulfonyl)phenyl)propan-2-yl)acetamide; AB00513976; F0811; SW197224-3; D04194; J10454; T72886; AB00513976_09; 231F342; A838774; Q408400; Florfenicol, analytical standard, for drug analysis; BRD-K11298197-001-03-9; 2,2-dichloro-N-((1R,2S)-3-fluoro-1-hydroxy-1-(4-; (1R,2S)-2-DICHLOROACETAMIDO-3-FLUORO-1-[4-(METHYLSULFONYL) PHENYL]-1-PROPANOL; (1R,2S)-2-dichloroacetamido-3-fluoro-1-[4-(methylsulfonyl)phenyl]-1-propanol; 2,2-Dichlor-N-((1R,2S)-3-fluor-1-hydroxy- 1-(4-(methylsulfonyl)-phenyl)-propan-2-yl)-ethanamide; 2,2-dichloro-N-[(1R,2R)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide; 2,2-dichloro-N-{(1R,2S)-3-fluoro-1-hydroxy-1-[4-(methanesulfonyl)phenyl]propan-2-yl}acetamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11413	.	.	358.2	C12H14Cl2FNO4S	91.8	447	0.8	21	2	5	6	"1S/C12H14Cl2FNO4S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-15)16-12(18)11(13)14/h2-5,9-11,17H,6H2,1H3,(H,16,18)/t9-,10-/m1/s1"	CS(=O)(=O)C1=CC=C(C=C1)[C@H]([C@@H](CF)NC(=O)C(Cl)Cl)O	AYIRNRDRBQJXIF-NXEZZACHSA-N
DG00379	Pristinamycin IA	11136668	"Pristinamycin IA; Streptogramin B; Ostreogrycin B; Antibiotic PA 114B; NSC 92554; UNII-V50XJ0NC3I; V50XJ0NC3I; CHEBI:8417; Mikamycin IA; 3131-03-1; Virginiamycin B; Vernamycin BA; Vernamycin B alpha; N-((6R,9S,10R,13S,15aS,22S,24aS)-22-(4-(dimethylamino)benzyl)-6-ethyl-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1]oxa[4,7,10,13,16]pentaazacyclononadecin-9-yl)-3-hydroxypicolinamide; 4-(4-(Dimethylamino)-N-methyl-L-phenylalanine)virginiamycin S1; 4-[4-(Dimethylamino)-N-methyl-L-phenylalanine]virginiamycin S1; PA 114B; Antibiotic PA 114B1; Antibiotic PA 114 B1; CHEMBL1256399; SCHEMBL13176900; HY-A0279A; C45H54N8O10; ZINC9574677; CS-5850; BRN 0078387; X8445; 4-27-00-09718 (Beilstein Handbook Reference); J-018376; Q14035740; UNII-4O8O7Q7IU4 component YGXCETJZBDTKRY-DZCVGBHJSA-N; UNII-JN6G9U5358 component YGXCETJZBDTKRY-DZCVGBHJSA-N; Virginiamycin S1, 4-(4(dimethylamino)-N-methyl-L-phenylalanine)-; Vernamycin Balpha; Virginiamycin S1, 4-(4-(dimethylamino)-N-methyl-L-phenylalanine)- (9CI); N-[(3S,6S,12R,15S,16R,19S,22S)-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide; N-[(6R,9S,10R,13S,15aS,22S,24aS)-22-{[4-(dimethylamino)phenyl]methyl}-6-ethyl-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl]-3-hydroxypyridine-2-carboxamide"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB13704	.	.	867	C45H54N8O10	228	1700	2.8	63	4	12	7	"1S/C45H54N8O10/c1-6-31-42(59)52-22-11-14-32(52)43(60)51(5)34(24-27-16-18-29(19-17-27)50(3)4)44(61)53-23-20-30(54)25-33(53)39(56)49-37(28-12-8-7-9-13-28)45(62)63-26(2)36(40(57)47-31)48-41(58)38-35(55)15-10-21-46-38/h7-10,12-13,15-19,21,26,31-34,36-37,55H,6,11,14,20,22-25H2,1-5H3,(H,47,57)(H,48,58)(H,49,56)/t26-,31-,32+,33+,34+,36+,37+/m1/s1"	CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CCC(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=C(C=C6)N(C)C)C	YGXCETJZBDTKRY-DZCVGBHJSA-N
DG00380	Bacitracin F	3082210	"Bacitracin F; 5-[[1-[[3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-butan-2-yl-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[4-methyl-2-[[2-(2-methylbutanoyl)-1,3-thiazole-4-carbonyl]amino]pentanoyl]amino]-5-oxopentanoic acid; 22601-63-4; UNII-W7FFC6JWF9; W7FFC6JWF9; Bacitracin F (~75per cent); B021"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	1419.6	C66H98N16O17S	551	2830	-0.5	100	16	21	31	"1S/C66H98N16O17S/c1-9-35(6)52(82-58(92)42(22-23-50(84)85)73-59(93)43(26-34(4)5)75-63(97)48-32-100-66(80-48)54(88)37(8)11-3)64(98)74-40-20-15-16-25-70-55(89)46(29-49(68)83)77-62(96)47(30-51(86)87)78-61(95)45(28-39-31-69-33-71-39)76-60(94)44(27-38-18-13-12-14-19-38)79-65(99)53(36(7)10-2)81-57(91)41(21-17-24-67)72-56(40)90/h12-14,18-19,31-37,40-47,52-53H,9-11,15-17,20-30,67H2,1-8H3,(H2,68,83)(H,69,71)(H,70,89)(H,72,90)(H,73,93)(H,74,98)(H,75,97)(H,76,94)(H,77,96)(H,78,95)(H,79,99)(H,81,91)(H,82,92)(H,84,85)(H,86,87)"	CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C2=CSC(=N2)C(=O)C(C)CC)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4	FCLQHQCOKGKLHR-UHFFFAOYSA-N
DG00381	Enacyloxin IIA	5288163	"Enacyloxin iia; Q27459995; (1S,3R,4S)-3-{[(2E,4E,6E,8E,10Z,12S,13R,14S,17R,18S,19R,20E)-19-(carbamoyloxy)-11,18-dichloro-13,14,17-trihydroxy-6,12-dimethyl-15-oxotricosa-2,4,6,8,10,20-hexaenoyl]oxy}-4-hydroxycyclohexanecarboxylic acid"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	702.6	C33H45Cl2NO11	214	1240	3.7	47	6	11	20	"1S/C33H45Cl2NO11/c1-4-5-13-26(47-33(36)45)29(35)24(38)18-25(39)31(42)30(41)20(3)22(34)12-8-6-10-19(2)11-7-9-14-28(40)46-27-17-21(32(43)44)15-16-23(27)37/h5-14,20-21,23-24,26-27,29-31,37-38,41-42H,4,15-18H2,1-3H3,(H2,36,45)(H,43,44)/b8-6+,11-7+,13-5+,14-9+,19-10+,22-12-/t20-,21+,23+,24-,26-,27-,29+,30-,31-/m1/s1"	CC/C=C/[C@H]([C@H]([C@@H](CC(=O)[C@H]([C@@H]([C@H](C)/C(=C/C=C/C=C(\\C)/C=C/C=C/C(=O)O[C@@H]1C[C@H](CC[C@@H]1O)C(=O)O)/Cl)O)O)O)Cl)OC(=O)N	IWBADCVFZDCUTN-OCXJTLLTSA-N
DG00382	Kasugamycin	65174	"KASUGAMYCIN; 6980-18-3; Kasumin L; Kasumin 2L; Kasuminl; UNII-O957UYB9DY; alpha-D-lyxo-; O957UYB9DY; CHEBI:81419; 2-amino-2-[(2R,3S,5S,6R)-5-amino-2-methyl-6-[(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]iminoacetic acid; Kasu B; (1s,2r,3s,4r,5s,6s)-2,3,4,5,6-Pentahydroxycyclohexyl 2-Amino-4-{[carboxy(Imino)methyl]amino}-2,3,4,6-Tetradeoxy-Alpha-D-Arabino-Hexopyranoside; HSDB 6695; KSM; BRN 1403823; SR-05000001429; C14H25N3O9; EINECS 234-260-3; NSC 100858; SCHEMBL70535; CHEMBL1631109; DTXSID1040374; SCHEMBL12858482; SCHEMBL16011710; HMS2089A11; ZINC4216682; AKOS025310863; ZINC100042889; ZINC100045947; 11030-24-3; 3-O-(2-Amino-4-((carboxyiminomethyl)amino)-2,3,4,6-tetradeoxy-alpha-D-arabino-hexopyranosyl)-D-chiro-inositol sulphate; D-chiro-Inositol, 3-O-(2-amino-4-((carboxyiminomethyl)amino)-2,3,4,6-tetradeoxy-alpha-D-arabino-hexopyranosyl)-; X6751; C17968; Q3193879; SR-05000001429-1; (1S,2R,3S,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL; (1S,2R,3S,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-4-{[(Z)-carboxy(imino)methyl]amino}-2,3,4,6-tetradeoxy-alpha-D-arabino-hexopyranoside; 2-((2R,3S,5S,6R)-5-amino-2-methyl-6-((1S,2R,3S,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyloxy)tetrahydro-2H-pyran-3-ylamino)-2-iminoacetic acid; 2-[[(2R,3S,5S,6R)-5-amino-2-methyl-6-[(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexoxy]tetrahydropyran-3-yl]amino]-2-imino-acetic acid; 2-AMINO-4-{[CARBOXY(IMINO)METHYL]AMINO}-2,3,4,6-TETRADEOXY-ALPHA-D-ARABINO-HEXOPYRANOSIDE; 3-O-[2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-alpha-D-arabino-hexopyranosyl]-D-chiro-inositol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	379.36	C14H25N3O9	221	532	-6.7	26	8	11	4	"1S/C14H25N3O9/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24)/t3-,4+,5+,6 ,7+,8+,9-,10+,11 ,14-/m1/s1"	C[C@@H]1[C@H](C[C@@H]([C@H](O1)OC2[C@@H]([C@H](C([C@@H]([C@@H]2O)O)O)O)O)N)N=C(C(=O)O)N	PVTHJAPFENJVNC-UQTMRZPGSA-N
DG00383	Matromycin	72493	"Oleandomycin; Amimycin; Matromycin; Romicil; Landomycin; 3922-90-5; UNII-P8ZQ646136; CHEBI:16869; P8ZQ646136; PA 775; Oleandomicina; Oleandomycine; Oleandomycinum; Oleandomycin [INN]; Antibiotic PA-105; Oleandomycine [French]; Oleandomycin [INN:BAN]; Oleandomycine [INN-French]; Oleandomycinum [INN-Latin]; Oleandomicina [INN-Spanish]; HSDB 7442; EINECS 223-495-7; AI3-50163; Prestwick3_000152; SCHEMBL3717; BSPBio_000284; BPBio1_000314; CHEMBL606258; Oleandomycin (chloroform solvate); BDBM234401; LMPK04000007; ZINC85432018; DB11442; NCGC00179617-01; 12-((2,6-Didesoxy-3-O-methyl-alpha-K-arabino-hexopyranosyl)oxy)-8-hydroxy-5,7,8,11,13,15-hexamethyl-14-((3,4,6-tridesoxy-3-dimethylamino-beta-D-xylo-hexopyranosyl)oxy)-1,9-dioxaspiro(2.13)hexadecan-4,10-dion; E704; HY-116010; AB00513809; CS-0063452; C01946; (3R,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11442	.	DR1189	687.9	C35H61NO12	166	1090	2.6	48	3	13	6	"1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1"	C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C	RZPAKFUAFGMUPI-QESOVKLGSA-N
DG00384	Gentamicin A	12810388	"Gentamicin A; C01917; 13291-74-2; C18H36N4O10; ZINC56870883; Y1680; (2R,3S,4R,5R,6S)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2R,3R,4S,5S)-3,5-dihydroxy-4-(methylamino)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-2-(hydroxymethyl)tetrahydropyran-3,4-diol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	468.5	C18H36N4O10	248	608	-6.4	32	10	14	6	"1S/C18H36N4O10/c1-22-10-7(24)4-29-18(13(10)27)32-16-6(20)2-5(19)15(14(16)28)31-17-9(21)12(26)11(25)8(3-23)30-17/h5-18,22-28H,2-4,19-21H2,1H3/t5-,6+,7+,8+,9+,10-,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1"	CN[C@H]1[C@@H](CO[C@@H]([C@@H]1O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N)N)O	LKKVGKXCMYHKSL-QVNYEEQUSA-N
DG00385	Piperacillin/Tazobactam	23724843	"Tazocin (TN); Zosyn (TN); Piperacillin-tazobactam; Piperacillin-tazobactam mixt.; Piperacillin-tazobactam mixture; NIOSH/XI0191450; Piperacillin sodium and tazobactam; DTXSID001016418; Tazobactam and piperacillin (JP17); Piperacillin-tazobactam mixt. (4:1); Tazobactam-piperacillin mixt. (1:4); XI01914500; D02505; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, (2S-(2-alpha,3-beta,5-alpha))-, mixt. with (2S-(2-alpha,5-alpha,6-beta(S*)))-6-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid (1:4)"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	839.8	C33H38N9NaO12S2	315	1560	.	57	3	15	9	"1S/C23H27N5O7S.C10H12N4O5S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);2-3,7-8H,4-5H2,1H3,(H,16,17);/q;;+1/p-1/t13-,14+,15-,20+;7-,8+,10+;/m01./s1"	CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3.[Na+]	TUPFOYXHAYOHIB-WZGOVNIISA-M
DG00386	Tiamulin	656958	"Tiamulin; 55297-95-5; Thiamutilin; Tiamulina; Tiamuline; Tiamulinum; Tiamulin pamoate; UNII-E38WZ4U54R; Denagard (TN); E38WZ4U54R; CHEBI:44137; Denagard; Tiavet P; (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[2-(diethylamino)ethyl]sulfanyl}acetate; Tiamulina [Italian]; AC1LCVRY; Tiamuline [INN-French]; Tiamulinum [INN-Latin]; Tiamulina [INN-Spanish]; HSDB 7026; Tiamulin [USAN:USP:INN:BAN]; EINECS 259-580-0; BRN 2229396; Tiamulin (USP/INN); SQ 14055; CHEMBL1234521; DTXSID2046701; SCHEMBL18232392; 14-Deoxy-14-((2-diethylaminoethyl-thio)-acetoxy)mutiline; (hydroxy-tetramethyl-oxo-vinyl-[ ]yl) 2-(2-diethylaminoethylsulfanyl)acetate; HY-B2060; ZINC4217557; BBL036673; STL559052; DB11468; ((2-(Diethylamino)ethyl)thio)-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester (3aS-(3aalpha,4beta,5alpha,6alpha,8beta,9alpha,9abeta,10S*))-; ((2-(Diethylamino)ethyl)thio)acetic acid 8-ester with (3aS,4R,5S,6S,8R,9R,9aR,10R)-octahydro-5,8-dihydroxy-4,6,9,10)-tetramethyl-6-vinyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one; ((2-(Diethylamino)ethyl)thio)acetic acid 8-ester with (3aS,4R,5S,6S,8R,9R,9aR,10R)-octahydro-5,8-dihydroxy-4,6,9,10-tetramethyl-6-vinyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one; Acetic acid, [[2-(diethylamino)ethyl]thio]-,(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-ylester; SO 14055; CS-0014153; D06127; Q7800111; (3aS,4R,5S,6S,8R,9R,9aR,10R)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[2-(diethylamino)ethyl]sulfanyl}acetate; (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-Ethenyl-5-hydroxy- 4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propano-3aH-cyclopentacycloocten-8-yl [[2-(diethylamino)ethyl]sulfanyl]acetate; 3-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]-4-hydroxy-4-(2-naphthyl)butanoic acid; Acetic acid, ((2-(diethylamino)ethyl)thio)-, (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester; Acetic acid, ((2-(diethylamino)ethyl)thio)-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester (3aS-(3aalpha,4beta,5alpha,6alpha,8beta,9alpha,9abeta,10S*))-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11468	.	.	493.7	C28H47NO4S	92.1	770	5.6	34	1	6	10	"1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1"	CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C	UURAUHCOJAIIRQ-QGLSALSOSA-N
DG00387	Methymycin	5282034	"Methymycin; UNII-16QGD97DXG; 497-72-3; 16QGD97DXG; CHEBI:29630; (3r,4s,5s,7r,9e,11s,12r)-12-Ethyl-11-Hydroxy-3,5,7,11-Tetramethyl-2,8-Dioxooxacyclododec-9-En-4-Yl 3,4,6-Trideoxy-3-(Dimethylamino)-Beta-D-Xylo-Hexopyranoside; (3R,4S,5S,7R,9E,11S,12R)-4-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione; MT9; SCHEMBL654455; CHEMBL489347; LMPK04000037; Q27110190"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	469.6	C25H43NO7	106	711	2.7	33	2	8	4	"1S/C25H43NO7/c1-9-20-25(6,30)11-10-19(27)14(2)12-15(3)22(17(5)23(29)32-20)33-24-21(28)18(26(7)8)13-16(4)31-24/h10-11,14-18,20-22,24,28,30H,9,12-13H2,1-8H3/b11-10+/t14-,15+,16-,17-,18+,20-,21-,22+,24+,25+/m1/s1"	CC[C@@H]1[C@@](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(C)O	HUKYPYXOBINMND-HYUJHOPRSA-N
DG00388	Quinupristin/Dalfopristin	23724510	Quinupristin-dalfopristin; Quinupristin - dalfopristin mixt; Synercid (TN); 126602-89-9; CHEBI:8733; C08034; D00854; Q1763990	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	1713.1	C87H117N13O19S2	441	3350	.	121	6	25	17	"1S/C53H67N9O10S.C34H50N4O9S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46;1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65);9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b;10-9+,12-11+,23-18+/t31-,35 ,37-,38+,39 ,40+,43-,44+,45+;24-,25-,28-,31 ,32-/m11/s1"	CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CC(C(=O)CC3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CS[C@@H]6CN7CCC6CC7)CC8=CC=C(C=C8)N(C)C)C.CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C1C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC3=NC(=CO3)C2=O)O)/C)C)C(C)C	PPKJUHVNTMYXOD-HVWWIRKTSA-N
DG00389	Chalcomycin	5382748	"CHALCOMYCIN; NSC150439; (6E,14E)-12-hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-9-(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione; 20283-48-1; NSC-150439; 4,14-diene-5,13-dione, 2-[[(6-deoxy-2,3-di-O-methyl-.beta.-D-allopyranosyl)oxy]methyl]-9-[(4,6-dideoxy-3-O-methyl-.beta.-D-xylo-hexopyranosyl)oxy]-12-hydroxy-3,8,10,12-tetramethyl-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	700.8	C35H56O14	181	1160	1.4	49	3	14	8	"1S/C35H56O14/c1-17-10-13-26(37)46-20(4)22(16-44-34-32(43-9)31(42-8)27(38)21(5)47-34)30-23(48-30)11-12-25(36)35(6,40)15-18(2)29(17)49-33-28(39)24(41-7)14-19(3)45-33/h10-13,17-24,27-34,38-40H,14-16H2,1-9H3/b12-11+,13-10+"	CC1CC(C(C(O1)OC2C(CC(C(=O)/C=C/C3C(O3)C(C(OC(=O)/C=C/C2C)C)COC4C(C(C(C(O4)C)O)OC)OC)(C)O)C)O)OC	KLGADJPDTCIJLO-JASOSIDASA-N
DG00390	Ticarcillin/Clavulanic acid	6437075	"Ticarcillin-clavulanic acid; 86482-18-0; BRL 28500; Clavulanic acid mixture with Ticarcillin; (2S,5R,6R)-6-[[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; Clavulanic acid - ticarcillin mixt.; Ticarcillin - clavulanic acid mixt.; BRL-28500; Ticarcillin disodium and clavulanate potassium; Ticarcillin-clavulanic acid mixt.; TIMENTIN IN PLASTIC CONTAINER; TICAR & CA; Clavulanic acid & Ticarcillin; Ticarcillin & Clavulanic acid; Ticarcillin and clavulanic acid; SCHEMBL1650350; CHEMBL3137696; DTXSID10235588; 4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, (2R,3Z,5R)-, mixt. with (2S,5R,6R)-6-(((2R)-carboxy-3-thienylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; 4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, (2R-(2-alpha,3Z,5-alpha))-, mixt. with (2S-(2-alpha,5-alpha,6-beta(S*)))-6-((carboxy-3-thienylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; Timentin (Ticarcillin disodium/Clavulanate potassium); (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-[[(2R)-3-hydroxy-3-oxo-2-(3-thienyl)propanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, (2R-(2-alpha,3Z,5-alpha))-, & (2S-(2-alpha,5-alpha,6-beta(S*)))-6-((carboxy-3-thienylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	583.6	C23H25N3O11S2	265	963	.	39	5	13	7	"1S/C15H16N2O6S2.C8H9NO5/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6;10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23);1,6-7,10H,2-3H2,(H,12,13)/b;4-1-/t7-,8-,9+,12-;6-,7-/m11/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CSC=C3)C(=O)O)C(=O)O)C.C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O	XWMVMWTVLSLJGY-FAJPTIRJSA-N
DG00391	Benzoylecgonine	448223	"Benzoylecgonine; O-Benzoylecgonine; (-)-Benzoylecgonine; o-Benzoyl-(-)-ecgonine; Ecgonine benzoate; 519-09-5; 3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid; UNII-5353I8I6YS; CHEBI:41001; (1R,2R,3S,5S)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylic acid; 5353I8I6YS; Benzoylecgonine hydrate; Benzoylecgonine solution; DSSTox_CID_26758; DSSTox_RID_81882; DSSTox_GSID_46758; BEG; (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid; (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid; CAS-519-09-5; Theracys; Cocaine metabolite; NCGC00168248-01; NCGC00168248-02; EINECS 208-263-5; Epitope ID:158630; SCHEMBL116803; CHEMBL1231248; DTXSID7046758; Ecgonine, benzoate (6CI,7CI); 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, [1R-(exo,exo)]-; ZINC2572652; Tox21_112607; Tox21_112853; MFCD00070263; AKOS030254449; Benzoylecgonine 0.1 mg/ml in Methanol; Benzoylecgonine 1.0 mg/ml in Methanol; DB01515; Q2499888; (1R,5S,8R)-2beta-Carboxy-3beta-(benzoyloxy)tropane; Benzoylecgonine solution, analytical standard, 1.0 mg/mL in methanol; 1alphaH,5alphaH-Tropane-2beta-carboxylic acid, 3beta-hydroxy-, benzoate (ester) (8CI); 3-beta-hydroxy-1-alpha-H,-5-alpha-H-tropane-2-beta-carboxylic acid benzoate; (1beta,5beta,8-anti)-3beta-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2beta-carboxylic acid; 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, (1R,2R,3S,5S)- (9CI); Benzoylecgonine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; Benzoylecgonine solution, 100 mug/mL in methanol, ampule of 1 mL, certified reference material"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB01515	.	.	289.33	C16H19NO4	66.8	419	-0.3	21	1	5	4	"1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1"	CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O	GVGYEFKIHJTNQZ-RFQIPJPRSA-N
DG00392	Microcin J25	101038823	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	2107.3	C101H139N23O27	807	4990	8	151	25	47	21	"1S/C101H139N23O27/c1-11-55(7)84-98(148)108-50-80(134)119-86(58(10)126)101(151)124-38-20-26-74(124)96(146)122-85(56(8)12-2)99(149)117-72(51-125)94(144)116-68(39-59-21-15-13-16-22-59)90(140)113-67(41-61-27-31-64(127)32-28-61)88(138)106-46-76(130)103-45-75(129)104-47-77(131)110-57(9)87(137)105-48-78(132)111-71(43-63-44-102-52-109-63)93(143)121-83(54(5)6)100(150)123-37-19-25-73(123)95(145)112-66(35-36-81(135)136)89(139)114-69(42-62-29-33-65(128)34-30-62)91(141)115-70(40-60-23-17-14-18-24-60)92(142)120-82(53(3)4)97(147)107-49-79(133)118-84/h13-18,21-24,27-34,44,52-58,66-74,82-86,125-128H,11-12,19-20,25-26,35-43,45-51H2,1-10H3,(H,102,109)(H,103,130)(H,104,129)(H,105,137)(H,106,138)(H,107,147)(H,108,148)(H,110,131)(H,111,132)(H,112,145)(H,113,140)(H,114,139)(H,115,141)(H,116,144)(H,117,149)(H,118,133)(H,119,134)(H,120,142)(H,121,143)(H,122,146)(H,135,136)/t55-,56-,57-,58+,66-,67-,68-,69-,70-,71-,72-,73-,74-,82-,83-,84-,85-,86-/m0/s1"	CC[C@H](C)[C@H]1C(=NCC(=N[C@H](C(=O)N2CCC[C@H]2C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=NCC(=NCC(=NCC(=N[C@H](C(=NCC(=N[C@H](C(=N[C@H](C(=O)N3CCC[C@H]3C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=NCC(=N1)O)O)C(C)C)O)CC4=CC=CC=C4)O)CC5=CC=C(C=C5)O)O)CCC(=O)O)O)C(C)C)O)CC6=CN=CN6)O)O)C)O)O)O)O)CC7=CC=C(C=C7)O)O)CC8=CC=CC=C8)O)CO)O)[C@@H](C)CC)O)[C@@H](C)O)O)O	TVZWTTNULXZYTK-UBTJVNBSSA-N
DG00393	N-methyl-n-nitro-n-nitrosoguanidine	13146027	SCHEMBL1536062; SCHEMBL8581312; DTXSID00521861; 2-methyl-3-nitro-nitrosoguanidine; N-methyl-N'-nitro-N''-nitrosoguanidine; N''-Methyl-N-nitro-N'-nitrosoguanidine; 66542-13-0	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	147.09	C2H5N5O3	112	159	0	10	2	5	2	"1S/C2H5N5O3/c1-3-2(4-6-8)5-7(9)10/h1H3,(H2,3,4,5,8)"	CN=C(NN=O)N[N+](=O)[O-]	POJDZWIPNZWPAU-UHFFFAOYSA-N
DG00394	Dapt (Gsi IX)	5311272	"Dapt; 208255-80-5; DAPT (GSI-IX); GSI-IX; gamma-Secretase Inhibitor IX; CHEBI:86193; tert-butyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate; LY-374973; CHEMBL255682; MFCD04974585; (S)-tert-butyl 2-((S)-2-(2-(3,5-difluorophenyl)acetamido)propanamido)-2-phenylacetate; Glycine, N-[2-(3,5-difluorophenyl)acetyl]-L-alanyl-2-phenyl-, 1,1-dimethylethyl ester, (2S)-; tert-butyl (S)-2-((S)-2-(2-(3,5-difluorophenyl)acetamido)propanamido)-2-phenylacetate; N-[N-(3,5-difluorophenacetyl)-L-alanyl]-S-phenylglycine tert-butyl ester; DAPT (peptide); GSIIX; GSI IX; N-(2FPhAc)Ala-phenyl-Gly t-butyl ester; DAPT,GSI-IX; DAPT - GSI-IX; MLS006010075; QCR-29; SCHEMBL1360313; TB2634-GMP; GTPL11363; DTXSID00415519; EX-A324; C23H26F2N2O4; HMS3413L17; HMS3677L17; HMS3884P09; AOB33372; ZINC1549363; BDBM50478375; N-(N-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester; s2215; AKOS024457209; N-[N-(3,5-Difluorophenacetyl)-L-alanyl]-S-phenylglycine t-butyl ester; CCG-264944; CS-0264; MRF-0000012; NCGC00167803-03; (3,5-Difluorophenylacetyl)-Ala-Phg-OtBu; AC-23163; AS-19399; HY-13027; SMR004701228; AB0033805; D4257; SW219339-1; X7572; AB01566837_01; J-013656; J-524356; Q27158972; (3,5-Difluorophenylacetyl)-L-alanyl-L-2-phenylglycine tert-Butyl Ester; (2S)-N-[(3,5-Difluorophenyl)acetyl]-L-alanyl-2-phenyl]glycine 1,1-dimethylethyl ester; (2S)-N-[(3,5-Difluorophenyl)acetyl]-L-alanyl-2-phenylglycine 1,1-dimethylethyl ester; N-[2-(3,5-Difluorophenyl)acetyl]-L-alanyl-L-(2-phenyl)glycine tert-butyl ester; N-{N-[2-(3,5-Difluorophenyl)acetyl]-(S)-alanyl}- (S)-phenylglycine tert-butyl ester; tert-butyl (2S)-({N-[(3,5-difluorophenyl)acetyl]-L-alanyl}amino)(phenyl)acetate; (S)-{(S)-2-[2-(3,5-Difluoro-phenyl)-acetylamino]-propionylamino}-phenyl-acetic acid tert-butyl ester; t-butyl (2s)-2-[[(2s)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate; tert-butyl (2R)-[((2S)-2-{[(3,5-difluorophenyl)acetyl]aMino}propanoyl)aMino](phenyl)ethanoate"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	432.5	C23H26F2N2O4	84.5	622	3.7	31	2	6	9	"1S/C23H26F2N2O4/c1-14(26-19(28)12-15-10-17(24)13-18(25)11-15)21(29)27-20(16-8-6-5-7-9-16)22(30)31-23(2,3)4/h5-11,13-14,20H,12H2,1-4H3,(H,26,28)(H,27,29)/t14-,20-/m0/s1"	C[C@@H](C(=O)N[C@@H](C1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)CC2=CC(=CC(=C2)F)F	DWJXYEABWRJFSP-XOBRGWDASA-N
DG00395	Orthocresol	335	"O-cresol; 2-Methylphenol; 95-48-7; Orthocresol; 2-hydroxytoluene; Phenol, 2-methyl-; 2-Cresol; o-methylphenol; o-Cresylic acid; o-Oxytoluene; o-Toluol; o-Hydroxytoluene; o-Methylphenylol; 1-Hydroxy-2-methylbenzene; ortho-cresol; o-Kresol; 2-methyl phenol; Cresol, ortho-; Cresol, o-; o-Kresol [German]; 2-Hydroxy-1-methylbenzene; Cresylic acid; 2-methyl-phenol; Cresol, o-isomer; hydroxy toluene; Phenol, methyl-; UNII-YW84DH5I7U; NSC 23076; Cresol mixture of isomers; 1-Methyl-2-hydroxybenzene; YW84DH5I7U; CHEBI:28054; MFCD00002226; TOLUENE,2-HYDROXY (ORTHO-CRESOL); o-Cresol [UN2076] [Poison, Corrosive]; DSSTox_CID_1808; Cresol mixture of isomers;Methylphenol;Tricresol; DSSTox_RID_76341; WLN: QR B1; DSSTox_GSID_21808; CAS-95-48-7; Orthocresol [NF]; Cresols are organic compounds which are methylphenols. They are a widely occurring natural and manufactured group of aromatic organic compounds, which are categorized as phenols.; CCRIS 646; FEMA No. 3480; HSDB 1813; EINECS 202-423-8; ortho cresol; Methyl phenol; 2-methyiphenol; AI3-00137; JZ0; O-Cresol,(S); Carvacrol derivative, 9; o-Cresol, >=99%; bmse000433; UN 2076 (Related); EC 202-423-8; 2-Methylphenol (o-cresol); ortho-cresol,2-methylphenol; SCHEMBL16002; MLS002454426; o-Cresol, analytical standard; BIDD:ER0677; CHEMBL46931; 3C7H8O; DTXSID8021808; FEMA 3480; BDBM248166; HMS2268O24; LABOTEST-BB LTBB001400; ZINC901022; o-Cresol, for synthesis, 99.3%; 2-Methylphenol, analytical standard; NSC23076; NSC36809; Tox21_202305; Tox21_300021; NSC-23076; NSC-36809; STL194295; o-Cresol, ReagentPlus(R), >=99%; AKOS000119021; AS00217; MCULE-4124485112; NCGC00091534-01; NCGC00091534-02; NCGC00091534-03; NCGC00091534-04; NCGC00254140-01; NCGC00259854-01; o-Cresol, SAJ first grade, >=97.0%; SMR001252248; 2-Methylphenol 100 microg/mL in Methanol; FT-0656046; Z3651; 7520-EP2277867A2; 7520-EP2280003A2; 7520-EP2292227A2; 7520-EP2295426A1; 7520-EP2295427A1; 7520-EP2295435A1; 7520-EP2298751A2; 7520-EP2302015A1; 7520-EP2305683A1; 7520-EP2308861A1; 7520-EP2311839A1; 7520-EP2314584A1; 7520-EP2314589A1; 7520-EP2316470A2; 7520-EP2316832A1; 7520-EP2316833A1; 7520-EP2316837A1; C01542; 19034-EP2311811A1; 19034-EP2314576A1; 28670-EP2279750A1; 28670-EP2284146A2; 28670-EP2284147A2; 28670-EP2284165A1; 28670-EP2287159A1; 28670-EP2305673A1; 28670-EP2308838A1; 28670-EP2308865A1; 28670-EP2308877A1; 28670-EP2311815A1; 28670-EP2311834A1; 28670-EP2314579A1; 28670-EP2372017A1; 45193-EP2311821A1; 93911-EP2269977A2; 93911-EP2305625A1; 1-Hydroxyl 2-Methyl Benzene, 2-Hydroxyl Toluene; Q312708; J-006098; J-523819; F0001-2271; UNII-3JYG22FD73 component QWVGKYWNOKOFNN-UHFFFAOYSA-N; UNII-GF3CGH8D7Z component QWVGKYWNOKOFNN-UHFFFAOYSA-N"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	108.14	C7H8O	20.2	70.8	2	8	1	1	0	"1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3"	CC1=CC=CC=C1O	QWVGKYWNOKOFNN-UHFFFAOYSA-N
DG00396	Bisbenzimide (Hoechst 33258)	1464	"Hoechst 33342; 23491-52-3; Bisbenzimide; hoechst33342; UNII-99KZS6CNZX; Ho 342; 2'-(4-Ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzo[d]imidazole; EINECS 245-691-1; 99KZS6CNZX; 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole; CHEMBL343002; CHEBI:51232; 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-1H-benzimidazole; 2'-(4'-Ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-2,5'-bis-1H-benzimidazole trihydrochloride trihydrate"	Terminated	10	Discontinued Drug(s)	Terminated	Small molecular drug	.	CHEBI:51232	.	DR01292	.	452.6	C27H28N6O	73.1	664	4.6	34	2	5	5	"1S/C27H28N6O/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31)"	CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C	PRDFBSVERLRRMY-UHFFFAOYSA-N
DG00397	Anastrozole	2187	"Anastrazole; Anastrole; Anastrozol; Arimidex; Asiolex; Astra brand of anastrozole; AstraZeneca brand of anastrozole; Zeneca brand of anastrozole; ZD 1033; ZD1033; Zeneca ZD 1033; Arimidex (TN); Arimidex (Zeneca); Arimidex, Anastrozole; ZD-1033; Anastrozole [USAN:INN:BAN]; Anastrozole (JAN/USAN/INN); Alpha,alpha,alpha',alpha'-tetramethyl-5(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile; Alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile; 1,3-benzenediacetonitrile, a, a,a', a'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl); 2,2'-(5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene)bis(2-methylpropionitrile); 2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene]bis(2-methylpropanenitrile); 2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)benzene-1,3-diyl]bis(2-methylpropanenitrile); 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2704	DB01217	DR00464	DR0113	293.4	C17H19N5	78.3	456	2.1	22	0	4	4	"1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3"	CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N	YBBLVLTVTVSKRW-UHFFFAOYSA-N
DG00399	"4',6-Diamidino-2-phenylindole"	2954	"DAPI; 4',6-Diamidino-2-phenylindole; 47165-04-8; 2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide; 4',6-Diamidinophenyl-indole; CHEBI:51231; 2-(4-(Aminoiminomethyl)phenyl)-1H-indole-6-carboximidamide; UNII-K9W25Z7ROH; K9W25Z7ROH; 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE; 2-(4-carbamimidoylphenyl)-1H-indole-6-carboxamidine; DATI; 4',6-Diamino-2-phenylindol; CCRIS 3826; antifade; BRN 3557399; Indole-6-carboximidamide, 2-(4-(aminoiminomethyl)phenyl)-; MolMap_000017; CHEMBL48217; SCHEMBL235865; GTPL5498; NPE759; ZINC56538; DTXSID50963757; BDBM50010058; AKOS025213592; SMP1_000093; A827164; Q238382"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	277.32	C16H15N5	116	413	1.6	21	5	2	3	"1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)"	C1=CC(=CC=C1C2=CC3=C(N2)C=C(C=C3)C(=N)N)C(=N)N	FWBHETKCLVMNFS-UHFFFAOYSA-N
DG00400	Gentamicin	3467	"Alcomicin; Apogen; Bristagen; Cidomycin; GENTAMYCIN; Garamycin; Garasol; Gentacidin; Gentacycol; Gentafair; Gentak; Gentamar; Gentamicina; Gentamicine; Gentamicins; Gentamicinum; Gentamycinum; Gentavet; Gentocin; Jenamicin; Refobacin; Uromycine; Garamycin Otic Solution; Genoptic Liquifilm; Gentamcin Sulfate; Gentamicin sulphate sterile; Refobacin TM; Gentamicin C1; G-Mycin; G-Myticin; Garamycin (TN); Gentamicin (BAN); Gentamicin (TN); Gentamicina [INN-Spanish]; Gentamicine [INN-French]; Gentamicinum [INN-Latin];Gentamycin-creme; Gentamycin-creme [German]; Ocu-Mycin; Spectro-Genta; U-Gencin; Genoptic S.O.P.; O-2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-alpha-D-ribo-heptopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-2-deoxy-D-streptamine; (1R,2S,3S,4R,6S)-4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-beta-L-lyxo-heptopyranoside; (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl (6x)-2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-alpha-D-erythro-heptopyranoside; (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; 2-[4,6-diamino-3-[3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; 4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)pentopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)heptopyranoside"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00798	DR01198	DR2174	477.6	C21H43N5O7	200	636	-4.1	33	8	12	7	"1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3"	CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC	CEAZRRDELHUEMR-UHFFFAOYSA-N
DG00402	Rhodamine 6G	3806	"Juglone; juglone; 481-39-0; 5-Hydroxy-1,4-naphthoquinone; 5-Hydroxy-1,4-naphthalenedione; Regianin; Juglon; Nucin; 5-Hydroxynaphthalene-1,4-dione; Walnut extract; 5-Hydroxynaphthoquinone; Akhnot; Yuglon; 8-Hydroxy-1,4-naphthoquinone; CI Natural Brown 7; 1,4-NAPHTHALENEDIONE, 5-HYDROXY-; 5-Hydroxy-p-naphthoquinone; 1,4-Naphthoquinone, 5-hydroxy-; CI 75500; Juglane; Jugnlon; Iuglon; Caswell No 515AA; 1,4-Naphthoquinone, 8-hydroxy-; 5-Hydroxy-1,4-naphthosemiquinone; 5-Hydroxy-1,4-naftochinon; UNII-W6Q80SK9L6; NSC 622948; NSC 153189; CCRIS; JUGLONE"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:15794	DB03825	.	.	174.15	C10H6O3	54.4	280	1.9	13	1	3	0	"1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H"	C1=CC2=C(C(=O)C=CC2=O)C(=C1)O	KQPYUDDGWXQXHS-UHFFFAOYSA-N
DG00403	Letrozole	3902	"Femara; Femera; Letoval; Letrozol; Novartis Brand of Letrozole; CGS 20267; CGS-20267; FEM-345; Femara (TN); Letrozole [USAN:INN]; CGS 20267, Femara, Piroxicam, Letrozole; Letrozole (JAN/USP/INN); 1-[Bis-(4-cyanophenyl)methyl]-1,2,4-triazole; 1-[bis(4-cyanophenyl)methyl]-1,2,4-triazole; 4,4'-((1h-1,2,4-triazol-1-yl)methylene)dibenzonitrile; 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile; 4,4'-(1H-1,2,4-triazol-1-yl-methylene)-bis(benzonitrile); 4,4'-(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile; 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-Benzonitrile Letrozole; 4,4'-(1h-1,2,4-triazol-1-ylmethylene) bis-benzonitrile; 4,4'-(1h-1,2,4-triazol-1-ylmethylene)bis-benzonitrile; 4,4'-(1h-1,2,4-triazol-1-ylmethylene)bisbenzonitrile; 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6413	DB01006	.	DR0929	285.3	C17H11N5	78.3	420	2.7	22	0	4	3	"1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H"	C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3	HPJKCIUCZWXJDR-UHFFFAOYSA-N
DG00404	Probenecid	4911	"Apurina; Bencid; Benecid; Benemid; Benemide; Benuryl; Panuric; Parabenem; Probalan; Probampacin; Probecid; Proben; Probenecida; Probenecide; Probenecidum; Probenemid; Probenicid; Probenid; Probexin; Prolongine; Robenecid; Sulprin; Tubophan; Uricosid; Urocid; Biokanol Brand of Probenecid; ICN Brand of Probenecid; IDIS Brand of Probenecid; Major Brand of Probenecid; Martec Brand of Probenecid; Merck Brand of Probenecid; Ophthalmic Brand of Probenecid; Parmed Brand of Probenecid; Probenecid Major Brand; Probenecid Martec Brand; Probenecid Parmed Brand; Probenecid Weimer; Probenecid Zenith Brand; Probenecid acid; Synergid R; Valdecasas Brand of Probenecid; Zenith Brand of Probenecid; Benemid (TN); Benuryl (TN); Col-BENEMID; ColBenemid (co mponent of); ColBenemid (component of); P-[Dipropylsulfamoyl]benzoic acid; Polycillin-BRB; Pro-Cid; Probenecida [INN-Spanish]; Probenecide [INN-French]; Probenecidum [INN-Latin]; P-(Dipropylsulfamoyl)benzoic acid; P-(Dipropylsulfamyl)benzoic acid; Polycillin-PRB (component of); Probenecid [INN:BAN:JAN]; Probenecid (JP15/USP/INN); 4-((Dipropylamino)sulfonyl)benzoic acid;4-(Di-n-propylsulfamoyl)benzoesaeure; 4-(Dipropylsulfamoyl)benzoic acid; 4-(N,N-Dipropylsulfamoyl)benzoesaeure; 4-[(dipropylamino)sulfonyl]benzoic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8426	DB01032	DR00232	DR1341	285.36	C13H19NO4S	83.1	374	3.2	19	1	5	7	"1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)"	CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O	DBABZHXKTCFAPX-UHFFFAOYSA-N
DG00405	Sanguinarine	5154	"SANGUINARINE; 2447-54-3; Pseudochelerythrine; Sanguinarin; sangvinarin; Veadent; Sanguiritrin; SANGUINARIUM; Dimethylenedioxy benzphenanthridine; UNII-AV9VK043SS; C20H14NO4; EINECS 219-503-3; Benzophenanthridine alkaloid; BRN 3915507; AV9VK043SS; CHEBI:17183; NCGC00015959-03; CAS-2447-54-3; [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium, 13-methyl-; DSSTox_RID_80748; DSSTox_CID_25204; DSSTox_GSID_45204; 13-Methyl[1,3]benzodioxolo[5,6-C][1,3]dioxolo[4,5-I]phenanthridin-13-Ium; Sangrovit; y-Chelerythrine; SR-01000075650"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17183	.	DR00919	.	332.3	C20H14NO4+	40.8	530	4.4	25	0	4	0	"1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1"	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6	INVGWHRKADIJHF-UHFFFAOYSA-N
DG00406	Sulfathiazole	5340	"Sulfathiazole; 72-14-0; Sulphathiazole; Sulfathiazol; 2-Sulfanilamidothiazole; Sulfanilamidothiazole; Thiazamide; Norsulfasol; Norsulfazole; 2-Sulfonamidothiazole; 4-Amino-N-(thiazol-2-yl)benzenesulfonamide; 2-(Sulfanilylamino)thiazole; Neostrepsan; Sulfocerol; Thiozamide; Sulzol; 2-Sulfanilamidothiazol; 2-(p-Aminobenzenesulfonamido)thiazole; Azoquimiol; Azoseptale; Norsulfazol; Poliseptil; Sanotiazol; Sulfathiazolum; Sulfatiazol; Thiacoccine; Thiasulfol; Wintrazole; Cerazole; Chemosept; Cibazol; Eleudron; Estafilol; Planomide; Septozol; Duatok; Dulana; N(1)-2-Thiazolylsulfanilamide; Coco-Thiazole; Formosulfathiazole; Streptosilthiazole; Sulfamul; 2-(p-Aminobenzenesulphonamido)thiazole; Usaf sn-9; 4-Amino-N-2-thiazolylbenzenesulfonamide; Cerazol (suspension); Ciba 3714; 4-Amino-N-(1,3-thiazol-2-yl)benzenesulfonamide; N1-(2-Thiazolyl)sulfanilamide; Benzenesulfonamide, 4-amino-N-2-thiazolyl-; 4-Amino-N-(1,3-Thiazol-2-Yl)Benzene-1-Sulfonamide; 4-amino-N-1,3-thiazol-2-ylbenzenesulfonamide; M&B 760; RP 2090; UNII-Y7FKS2XWQH; 4-Amino-N-thiazol-2-yl-benzenesulfonamide; 2090 R.P.; M+B 760; CHEBI:9337; Sulfanilamide, N1-2-thiazolyl-; Y7FKS2XWQH; Sodium sulfathiazole; CHEMBL437; N'-(2-Thiazolyl)sulfanilamide; N(sup1)-(2-Thiazolyl)sulfanilamide; MFCD00005319; NSC-31812; NSC683531; Sulfanilamide, N(sup1)-2-thiazolyl-; NSC-683531; CAS-72-14-0; NCGC00016309-02; NCGC00016309-06; Norsulfazolum; 4-Amino-N-(2-thiazolyl)benzenesulfonamide; DSSTox_CID_6068; DSSTox_RID_78004; DSSTox_GSID_26068; Solfatiazolo [DCIT]; Caswell No. 809B; Solfatiazolo; Sulfathiazol [INN-French]; Sulfatiazol [INN-Spanish]; N1-2-Thiazolylsulfanilamide; Sulfathiazolum [INN-Latin]; CCRIS 765; 2090 rp; 2-Sulfanilamidothiazol [German]; HSDB 4380; N(sup 1)-2-Thiazolylsulfanilamide; SR-05000001722; Sulfanilamide, N(1)-2-thiazolyl-; EINECS 200-771-5; NSC 31812; EPA Pesticide Chemical Code 077903; NSC 683531; Sulfanilamide, N(sup 1)-2-thiazolyl-; sulfthiazole; Enterobiocine; Sulfavitina; Cerazol; AI3-01050; Sulfathiazole [USP:INN:BAN]; 2-Sulfathiazole; YTZ; Prestwick_430; Sulfathiazole-13C6; Spectrum_001000; Prestwick0_000016; Prestwick1_000016; Prestwick2_000016; Prestwick3_000016; Spectrum2_000841; Spectrum3_001729; Spectrum4_000348; Spectrum5_001441; Sulfathiazole (USP/INN); N-2-Thiazolylsulfanilamide; Epitope ID:122234; Cambridge id 5251400; cid_5340; Oprea1_105970; Oprea1_297844; SCHEMBL94165; Triple sulfa (sulfathiazole); BSPBio_000051; BSPBio_003378; KBioGR_000755; KBioSS_001480; [(4-Aminophenyl)sulfonyl]-1,3-thiazol-2-ylamine; MLS002154174; N-1-2-Thiazolylsulfanilamide; DivK1c_000560; SPECTRUM1500553; Sulfathiazole-d4(benzene-d4); SPBio_000821; SPBio_001972; BPBio1_000057; WLN: T5N CSJ BMSWR DZ; DTXSID8026068; HMS501L22; KBio1_000560; KBio2_001480; KBio2_004048; KBio2_006616; KBio3_002598; N(sup1)-2-Thiazolylsulfanilamide; NINDS_000560; HMS1568C13; HMS1921C07; HMS2092K09; HMS2095C13; HMS2259A13; HMS3652A03; HMS3712C13; Pharmakon1600-01500553; ZINC121458; AMY33440; HY-B0507; NSC31812; SULFATHIAZOLE (TRIPLE SULFA); Tox21_110363; Tox21_202243; Tox21_303238; BDBM50027796; CCG-40296; NSC757331; s3116; STK043870; 2-(4-Aminobenzenesulfonamido)thiazole; AKOS000108630; Tox21_110363_1; DB06147; MCULE-1370710137; NSC-757331; SDCCGMLS-0065585.P001; IDI1_000560; NCGC00016309-01; NCGC00016309-03; NCGC00016309-04; NCGC00016309-05; NCGC00016309-07; NCGC00016309-08; NCGC00016309-09; NCGC00016309-10; NCGC00016309-14; NCGC00091133-01; NCGC00091133-02; NCGC00091133-03; NCGC00091133-04; NCGC00257187-01; NCGC00259792-01; Sulfanilamide, N1-2-thiazolyl- (8CI); AC-12783; DS-17245; K225; NCI60_002730; SMR000017368; Pyridine,2-(chloromethyl)-3,4-dimethoxy-; SBI-0051527.P004; Sulfanilamide, N1-4-thiazolin-2-ylidene-; DB-055610; 4-amino-N-(thiazol-2-yl)-benzenesulfonamide; AB00052102; BB 0245015; FT-0631310; Sulfathiazole 100 microg/mL in Acetonitrile; SW149625-4; 4-[(1,3-Thiazol-2-yl)aminosulfonyl]aniline; Sulfathiazole, analytical standard, >=98.0%; 9610-EP2295053A1; 9610-EP2308872A1; 9610-EP2316829A1; D01047; D70411; AB00052102_14; AB00052102_15; Q408427; Sulfathiazole, VETRANAL(TM), analytical standard; 4-Amino-N-(1,3-thiazol-2-yl)benzenesulfonamide #; Q-201765; SR-05000001722-1; SR-05000001722-3; Sulfathiazole, Antibiotic for Culture Media Use Only; BRD-K14705039-001-05-7; BRD-K14705039-001-08-1; F1443-4816; Sulfathiazole, European Pharmacopoeia (EP) Reference Standard; Sulfathiazole, United States Pharmacopeia (USP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB06147	.	.	255.3	C9H9N3O2S2	122	320	0.1	16	2	6	3	"1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)"	C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2	JNMRHUJNCSQMMB-UHFFFAOYSA-N
DG00407	Sulfisomidine	5343	"SULFISOMIDINE; sulfisomidin; Sulfaisodimidine; 515-64-0; Sulphasomidine; Sulfasomidine; 4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide; Sulfadimetine; Sulfamethin; Sulfaisodimerazine; Elkosin; Domian; Sulfaisodimidinum; Solfisomidina; Aristamid; Aristogyn; Elcosine; Elkosine; Elkosil; Erycon; Mefenal; 4-Sulfa-2,6-dimethylpyrimidine; 2,4-Dimethyl-6-sulfanilamidopyrimidine; 2,6-Dimethyl-4-sulfanilamidopyrimidine; 4-Sulfanilamido-2,6-dimethylpyrimidine; 6-Sulfanilamido-2,4-dimethylpyrimidine; UNII-W03L3ODK6E; 6-(4-Aminobenzenesulfonamido)-2,4-dimethylpyrimidine; 6-(p-Aminobenzenesulfonamido)-2,4-dimethylpyrimidine; 6-(p-Aminobenzenesulfonyl)amino-2,4-dimethylpyrimidine; CHEBI:32166; Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-; W03L3ODK6E; N(sup 1)-(2,6-Dimethyl-4-pyrimidinyl)sulfanilamide; (p-Aminobenzolsulfonyl)-4-amino-2,6-dimethylpyrimidin; Sulfaisomidine; N(1)-(2,6-Dimethyl-4-pyrimidinyl)sulfanilamide; (p-Aminobenzolsulfonyl)-4-amino-2,6-dimethylpyrimidine; Sulfanilamide, N(sup 1)-(2,6-dimethyl-4-pyrimidinyl)-; NCGC00164492-01; Sulfisomidina; Sulfisomidinum; Isosulf; Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-(9CI); DSSTox_CID_26390; DSSTox_RID_81570; DSSTox_GSID_46390; Solfisomidina [DCIT]; Sulfisomidinum [INN-Latin]; Sulfisomidina [INN-Spanish]; CAS-515-64-0; EINECS 208-204-3; BRN 0261305; Aristamide; Elcosin; Domain; AI3-50168; Sulfisomidine [INN:BAN:JAN]; N1-(2,6-Dimethyl-4-pyrimidinyl)sulfanilamide; Sulfisomidine (TN); Sulfisomidine (JAN); 4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzene-1-sulfonamide; (p-Aminobenzolsulfonyl)-4-amino-2,6-dimethylpyrimidin [German]; Oprea1_339670; SCHEMBL34791; 5-25-10-00216 (Beilstein Handbook Reference); MLS004773916; CHEMBL485696; DTXSID1046390; YZMCKZRAOLZXAZ-UHFFFAOYSA-; ZINC56658; ALBB-023545; HY-B1784; Tox21_112130; BDBM50548727; MFCD00010567; s5291; STL481971; AKOS000119092; Tox21_112130_1; CCG-267227; CS-7658; DB13283; MCULE-6011761791; SB58524; NCGC00164492-02; NCGC00164492-03; NCGC00186655-01; AS-10637; SMR001346487; AB0126295; DB-051990; FT-0632265; S0362; Sulfisomidine 100 microg/mL in Acetonitrile; A12593; D01526; Sulfisomidin, VETRANAL(TM), analytical standard; SR-01000940235; Q6577315; SR-01000940235-2; F1716-0354; 4-Amino-N-(2,6-dimethylpyrimidin-4-yl) benzenesulfonamide; 4-Amino-N-(2,6-dimethyl-4-pyrimidinyl)benzenesulfonamide (9CI)"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB13283	.	.	278.33	C12H14N4O2S	106	387	1.2	19	2	6	3	"1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)"	CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)N	YZMCKZRAOLZXAZ-UHFFFAOYSA-N
DG00413	Quinolones	6038	AC1MI0KP	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:16365	.	.	.	145.16	C9H7NO	29.1	198	1.3	11	1	1	0	"1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)"	C1=CC=C2C(=C1)C=CC(=O)N2	LISFMEBWQUVKPJ-UHFFFAOYSA-N
DG00414	Methylene blue	6099	"Methylene blue; 61-73-4; Methylthioninium chloride; Swiss Blue; Chromosmon; Methylene Blue N; Methylenium ceruleum; Urolene blue; Methylene Blue chloride; Solvent blue 8; Bleu de methylene; Methylene Blue G; Methylene Blue A; External Blue 1; Methylene Blue D; Methylene Blue B; Methylene Blue anhydrous; CI Basic Blue 9; Methylene Blue ZF; Methylene Blue SP; Methylene Blue NZ; Methylene Blue BX; Methylene Blue BD; Methylene Blue SG; Tetramethylene Blue; Methylene Blue ZX; Methylene Blue FZ; Methylene Blue BP; Calcozine; 3,7-Bis-dimethylamino-phenothiazin-5-ylium"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6872	DB09241	.	.	319.9	C16H18ClN3S	43.9	483	.	21	0	4	1	"1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1"	CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]	CXKWCBBOMKCUKX-UHFFFAOYSA-M
DG00415	Cetrimide	14250	Cetrimonium bromide; 57-09-0; Cetyltrimethylammonium bromide; Hexadecyltrimethylammonium bromide; CTAB; Centimide; CETAB; Bromat; Ctmab; Cee dee; Cetavlon; Hexadecyl trimethyl ammonium bromide; Trimethylcetylammonium bromide; Cetyl trimethyl ammonium bromide; Quamonium; Lissolamine; Cetaflon; Lauroseptol; Suticide; Pollacid; Cetarol; Micol; Cetrimide bp; Lissolamine A; Lissolamin V; Cetavlon bromide; Cycloton V; Cirrasol OD; Acetoquat CTAB; Softex KW; Cetrimonii bromidum; N-Cetyltrimethylammonium bromide; Bromuro de cetrimonio; Cetrimida	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:3565	DB01718	.	.	336.4	C17H38BrN	0	158	.	19	0	1	13	"1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1"	CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]	CXRFDZFCGOPDTD-UHFFFAOYSA-M
DG00416	Homidium bromide	14710	"ETHIDIUM BROMIDE; Homidium bromide; 1239-45-8; Dromilac; EtBr; 3,8-Diamino-5-ethyl-6-phenylphenanthridinium bromide; Ethydium bromide; 3,8-Diamino-5-ethyl-6-phenylphenanthridin-5-ium bromide; Phenanthridinium, 3,8-diamino-5-ethyl-6-phenyl-, bromide; 2,7-Diamino-10-ethyl-9-phenylphenanthridinium bromide; 2,7-Diamino-9-phenyl-10-ethylphenanthridinium bromide; UNII-059NUO2Z1L; MFCD00011724; 2,7-Diamino-9-phenylphenanthridine ethobromide; Ethidium bromide solution; MLS002702536; 059NUO2Z1L; CHEBI:4883; Phenanthridinium, 3,8-diamino-5-ethyl-6-phenyl-, bromide (1:1); NSC268986; NSC-268986; 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromide; NCGC00091387-01; NCGC00095070-01; DSSTox_CID_5258; DSSTox_RID_77719; DSSTox_GSID_25258; Homidii bromidum; CHEMBL284328; Bromure d'homidium; Bromuro de homidio; Homidium bromide [INN:BAN]; CAS-1239-45-8; Homidii bromidum [INN-Latin]; CCRIS 1017; 3,8-Diamino-1-ethyl-6-phenylphenantridinium bromide; HSDB 7297; Bromure d'homidium [INN-French]; Bromuro de homidio [INN-Spanish]; EINECS 214-984-6; 2,7-Diamino-9-Phenyl-10-Ethylphenanthridiniumbromide; NSC 268986; RD 1572; AI3-62997; Ethidium (bromide); Ethidium bromide, 98%; SCHEMBL20520; SPECTRUM1503806; Ethidium bromide, >=95.0%; SCHEMBL1505620; DTXSID8025258; HMS502O22; HMS1922I08; HMS3868D03; Pharmakon1600-01503806; Ethidium bromide, ~95% (HPLC); Ethidium bromide solution, 10mg/ml; HY-D0021; Tox21_111123; Tox21_111410; Tox21_202511; CCG-39365; NSC758630; Ethidium bromide solution 1% in H2O; Ethidium bromide solution, 10 mg/mL; AKOS015904050; Tox21_111410_1; AM84361; Ethidium bromide, electrophoresis grade; MCULE-8684380812; NSC-758630; Ethidium bromide solution, 0.625mg/ml; Ethidium bromide, for biochemistry, 98%; NCGC00091387-08; NCGC00095070-02; NCGC00260060-01; AS-79030; SMR001566146; DB-062201; E0370; FT-0614786; E-4000; F16485; Ethidium bromide, Vetec(TM) reagent grade, 95%; SR-01000872761; SR-01000872761-1; Ethidium bromide, for fluorescence, >=95.0% (HPLC); Phenanthridinium,8-diamino-5-ethyl-6-phenyl-, bromide; Ethidium bromide solution, for fluorescence, ~1% in H2O; WLN: T B666 HKJ EJ H2 IR& LZ &E &9/26; Ethidium bromide, ~10 mg/tablet ethidium bromide, tablet; Ethidium bromide, BioReagent, for molecular biology, powder; J Mol Biol 13: 269 (1965); 27: 87 (1967); Ethidium bromide solution, BioReagent, for molecular biology, 10 mg/mL in H2O; Ethidium bromide solution, BioReagent, for molecular biology, 500 mug/mL in H2O"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	DR01442	.	394.3	C21H20BrN3	55.9	419	.	25	2	3	2	"1S/C21H19N3.BrH/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,23H,2,22H2,1H3;1H"	CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[Br-]	ZMMJGEGLRURXTF-UHFFFAOYSA-N
DG00417	Benzalkonium bromide	23705	"Benzyldodecyldimethylammonium bromide; 7281-04-1; Benzalkonium bromide; Benzododecinium bromide; Sterinol; N-Benzyl-N,N-dimethyldodecan-1-aminium bromide; Bacfor BL; Benzyldimethyldodecylammonium bromide; Sinnoquat BL 95; 8043-47-8; Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, bromide; benzyl-dodecyl-dimethylazanium;bromide; Dodecyl dimethyl benzyl ammonium bromide; N-Dodecyl-N,N-dimethylbenzenemethanaminium bromide; Dimethyl laurylbenzene ammonium bromide; UNII-IRY12B2TQ6; IRY12B2TQ6; Ajatin; MFCD00011768; DSSTox_CID_28624; DSSTox_RID_82894; DSSTox_GSID_48698; Lauralkonium bromide; Sinnoquat BL 80; Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, bromide (1:1); CAS-7281-04-1; Ammonyl BR 1244; Benzododecinium bromatum; Caswell No. 416B; NCGC00164245-02; EINECS 230-698-4; EPA Pesticide Chemical Code 069123; Ammonium, benzyldodecyldimethyl-, bromide; Bromek dwumetylolaurylobenzyloamoniowy [Polish]; Benzalkonium bromide (C12); SCHEMBL119589; CHEMBL2355417; DTXSID4048698; CHEBI:167207; dimethyldodecylbenzylammonium bromide; Tox21_113091; benzyl-dodecyldimethylammonium bromide; Bromek dwumetylolaurylobenzyloamoniowy; AKOS015891185; Tox21_113091_1; NCGC00164245-03; BS-44064; I017; DB-056433; B3748; BENZYL(DODECYL)DIMETHYLAZANIUM BROMIDE; FT-0733931; D87631; N-Benzyl-N,N-dimethyldodecan-1-amonium bromide; N-Benzyl-N,N-dimethyldodecan-1-ammonium bromide; Q-200699; Q4890794; Benzalkonium bromide Dimethyl benzyl lauryl ammonium bromide; UNII-151T1GQ42D component KHSLHYAUZSPBIU-UHFFFAOYSA-M"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB11105	.	.	384.4	C21H38BrN	0	240	.	23	0	1	13	"1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1"	CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]	KHSLHYAUZSPBIU-UHFFFAOYSA-M
DG00418	Iodine-131	24855	"IODINE-131; Iodine 131; UNII-I5X6L61HUT; I5X6L61HUT; 10043-66-0; I-131; Iodine I 131; Radioactive iodine-I131; Radioactive iodine (131I); Iodine, mol. (131I2); Iodine, isotope of mass 131; Iodine, labeled with iodine-131; I 131; 15124-39-7"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	261.81	I2	0	0	1.7	2	0	0	0	"1S/I2/c1-2/i1+4,2+4"	[131I][131I]	PNDPGZBMCMUPRI-HVTJNCQCSA-N
DG00419	Cephalexin	27447	"Adcadina; Ades[prex; Alcephin; Alexin; Alsporin; Ambal; Aristosporin; Azabort; Bactopenor; Beliam; Biocef; CEX; Carnosporin; Cefablan; Cefacet; Cefadal; Cefadin; Cefadina; Cefalekey; Cefaleksin; Cefalessina; Cefalexgobens; Cefalexin; Cefalexina; Cefalexine; Cefalexinum; Cefalin; Cefalival; Cefaloto; Cefaseptin; Cefax; Ceffanex; Cefibacter; Ceflax; Ceforal; Cefovit; Celexin; Cepastar; Cepexin; Cephacillin; Cephalexine; Cephalexinum; Cephalobene; Cephanasten; Cephaxin; Cephin; Cepol; Ceporex; Ceporexin; Ceporexine; Check; Cophalexin; Domucef; Doriman; Durantel; Efemida; Erocetin; Factagard; Felexin; Fexin; Ibilex; Ibrexin; Inphalex; Karilexina; Kefalospes; Keflet; Keflex; Kefolan; Keforal; Keftab; Kekrinal; Kidolex; Lafarine; Larixin; Lenocef; Lexibiotico; Loisine; Lonflex; Lopilexin; Losporal; Madlexin; Maksipor; Mamalexin; Mamlexin; Medolexin; Medoxine; Neokef; Neolexina; Noveol; Novolexin; Nufex; Oracef; Oriphex; Oroxin; Ortisporina; Ospexin; Palitrex; Pectril; Prindex; Pyassan; Rilexine; Roceph; Rogevil; Sanaxin; Sartosona; Sencephalin; Sepexin; Servicef; Servispor; Sialexin; Sinthecillin; Sintolexyn; Sporicef; Sporidex; Syncl; Syncle; Synecl; Tepaxin; Theratrex; Tokiolexin; Uphalexin; Viosporine; Voxxim; Winlex; Zabytrex; Zozarine; Cefalessina [DCIT]; Cefalexin Scand Pharm; Cefalexin Sodium; Cefalexin generics; Cefalexin hydrate; Cefalexin monohydrate; Cefalexina Northia; Cefalexina Richet; Cephalex von ct; Cephalexin hydrate; Cephalexin monohydrate; Ceporex Forte; Durantel DS; Henina Oral; Panixine Disperdose; Roceph Distab; Lilly 66873; S 6437; SQ 20248; Cefa-iskia; Cefalexin (JP15); Cefalexin.H2O; Cefalexina [INN-Spanish]; Cefalexine [INN-French]; Cefalexinum [INN-Latin]; Cephalexin(USP); Cephalexin (anhydrous); Cephalexin 1-hydrate; Cephalexin 1-wasser; Cephalexin [USAN:BAN]; Cephalexin.H2O; Ceporexin-E; Cusisporina-Cefalox; Ed A-Ceph; KS-1134; Keflex (TN); Keftab (TN); L-Keflex; Panixine disperdose (TN); Sporidex (TN); Cephalexin, (6R-(6alpha,7beta))-Isomer; 7-(D-2-Amino-2-phenylacetamido)-3-methyl-delta (sup 3)-cephem-4-carboxylic acid; 7-(D-2-Amino-2-phenylacetamido)-3-methyl-delta3-cephem-4-carboxylic acid; 7-(D-alpha-Aminophenylacetamido)desacetoxycephalosporanic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3534	DB00567	DR00330	DR0284	347.4	C16H17N3O4S	138	600	0.6	24	3	6	4	"1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1"	CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O	ZAIPMKNFIOOWCQ-UEKVPHQBSA-N
DG00421	Cefradine	38103	"Anspor; Cefradin; Cefradina; Cefradinum; Cephradin; Cephradine; Eskacef; Sefril; Velosef; CEPHRADINE SODIUM; SKF D 39304; SQ 11436; VELOSEF 125; VELOSEF 250; VELOSEF 500; Anspor (TN); Cefradina [INN-Spanish]; Cefradinum [INN-Latin]; Cephradine (USP); Cephradine (anhydrous); Cephradine [USAN:BAN]; SQ-11436; SQ-22022; Velosef (TN); Cefradine (JAN/INN); SK&F D-39304; SK-D-39304; (6R,7R)-7-((R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-(D-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)-oct-2-ene-2-caboxylic acid; 7-(D-2-Amino-2-(1,4-cyclohexadienyl)acetamide)desacetoxycephalosporanicacid; 7beta-[(2R)-2-(cyclohexa-1,4-dienyl)-2-phenylacetamido]-3-methyl-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3547	DB01333	DR00544	.	349.4	C16H19N3O4S	138	697	0.4	24	3	6	4	"1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1"	CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)SC1)C(=O)O	RDLPVSKMFDYCOR-UEKVPHQBSA-N
DG00422	Exemestane	60198	"Aromasil; Aromasin; Aromasine; EXE; Exemestance; Exemestano; Exemestanum; Nikidess; Pfizer brand of exemestane; Curator_000009; Fce 24304; Aromasin (TN); Aromasin, Exemestane; Exemestano [INN-Spanish]; Exemestanum [INN-Latin]; FCE-24304; PNU-155971; Exemestane [USAN:INN:BAN]; Exemestane (JAN/USP/INN); (8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione; 6-Methylenandrosta-1,4-diene-3,17-dione; 6-Methyleneandrosta-1,4-diene-3,17-dione; 6-methylideneandrosta-1,4-diene-3,17-dione"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4953	DB00990	.	DR0675	296.4	C20H24O2	34.1	653	3.1	22	0	2	0	"1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C	BFYIZQONLCFLEV-DAELLWKTSA-N
DG00424	Pentisomicin	65453	"Pentisomicin; 5-Episisomicin; Sch 22591; UNII-L5BS6WSR0E; 55870-64-9; L5BS6WSR0E; SCH-22591; Mutamicin 6; Mutamycin 6; 5-epi-Sisomicin; (2R,3R,4R,5R)-2-[(1S,2R,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; Pentisomicina; Pentisomicine; Pentisomicinum; Pentisomicin [USAN:INN]; Pentisomicine [INN-French]; Pentisomicinum [INN-Latin]; Pentisomicina [INN-Spanish]; Pentisomicin (USAN/INN); O-3-Deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1->1)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1->3))-4,6-diamino-4,5,6-trideoxy-D-myo-inositol; SCHEMBL380284; CHEMBL2105403; DTXSID7046887; D-myo-Inositol, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1->1)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1->3))-4,6-diamino-4,5,6-trideoxy-; D-myo-Inositol, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-1)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-3))-4,6-diamino-4,5,6-trideoxy-; O-3-Deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-1)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-3))-4,6-diamino-4,5,6-trideoxy-D-myo-inositol; D05425; Q27282733"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	447.5	C19H37N5O7	214	643	-5.1	31	8	12	6	"1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12-,13-,14-,15+,16-,17-,18-,19+/m1/s1"	C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O	URWAJWIAIPFPJE-VHLNBGGKSA-N
DG00425	Cephalosporin C	65536	"Cephalosporin C; 7-(5-Amino-5-carboxyvaleramido)cephalosporanic acid; 61-24-5; UNII-3XIY7HJT5L; CHEBI:15776; EINECS 200-501-6; 3XIY7HJT5L; BRN 0065348; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((5-amino-5-carboxy-1-oxopentyl)amino)-8-oxo-, (6R-(6alpha,7beta(R*)))-; (6R,7R)-3-[(acetyloxy)methyl]-7-{[(5R)-5-amino-5-carboxypentanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(5-amino-5-carboxyvaleramid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:15776	DB03313	.	.	415.4	C16H21N3O8S	202	737	-4.4	28	4	10	10	"1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/t9-,11-,14-/m1/s1"	CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)N)SC1)C(=O)O	HOKIDJSKDBPKTQ-GLXFQSAKSA-N
DG00426	Enrofloxacin	71188	"Enrofloxacin; 93106-60-6; Baytril; Enrofloxacine; CFPQ; Enrofloxacino; Enrofloxacinum; BAY VP 2674; 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; Enroxil; UNII-3DX3XEK1BN; Baytril (TN); N-Ethylciprofloxacin; ERFX; 1-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; C19H22FN3O3; MFCD00792463; 3DX3XEK1BN; 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-; MLS000069441; CHEBI:35720; NSC-758616; BAY Vp 2674;PD160788; endrofloxicin; NCGC00018143-04; CPD000059011; PD160788; SMR000059011; 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid; DSSTox_CID_25619; DSSTox_RID_81007; DSSTox_GSID_45619; 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-4-oxo-; Enrofloxacine [French]; Enrofloxacinum [Latin]; Enrofloxacino [Spanish]; Bay-Vp-2674; 1-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid; CAS-93106-60-6; Enrofloxacin [USAN:BAN:INN]; HSDB 6952; BRN 5307824; CCRIS 8214; Enrofloxacin [USAN:USP:INN:BAN]; Enrofloxacin-[d5]; Opera_ID_1106; Enrofloxacin (USP/INN); Enrofloxacin (USAN/INN); 1,4-Dihydro-1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid; BAY-Vp2674; MLS001076496; MLS001424169; CHEMBL15511; SCHEMBL149150; SPECTRUM1503721; Enrofloxacin for veterinary use; DTXSID1045619; HMS2052O09; HMS2090E12; HMS2093I21; HMS2234M11; HMS3373P14; HMS3394O09; HMS3715B18; Pharmakon1600-01503721; ZINC597112; ALBB-030792; BCP15457; HY-B0502; Enrofloxacin, >=98.0% (HPLC); Tox21_110831; BBL009982; DL-384; HTS028366; NSC758616; s3059; STK711109; AKOS005530685; BAY-Vp2674;PD160788; Tox21_110831_1; AC-7614; CCG-101102; DB11404; KS-5010; MCULE-6446074322; NC00352; NSC 758616; 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid; 1-cyclopropyl-7-(4-ethylpiperazinyl)-6-fluoro-4-oxohydroquinoline-3-carboxylic acid; NCGC00018143-01; NCGC00018143-02; NCGC00018143-03; NCGC00018143-05; NCGC00021632-03; H734; SBI-0206725.P001; AB0013220; DB-057368; B1742; E0786; FT-0625663; FT-0667862; D02473; AB00384269-16; AB00384269_17; AB00384269_18; Enrofloxacin, VETRANAL(TM), analytical standard; 106E606; A844445; Q414413; SR-01000000045; SR-01000000045-3; BRD-K76534306-001-11-0; Enrofloxacin, European Pharmacopoeia (EP) Reference Standard; Enrofloxacin, United States Pharmacopeia (USP) Reference Standard; 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid; Enrofloxacin for system suitability, European Pharmacopoeia (EP) Reference Standard; Enrofloxacin, Pharmaceutical Secondary Standard; Certified Reference Material; 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(4-ethyl-1-piperazinyl)-3-quinoline-carboxylic acid; 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(4-ethyl-1-piperazinyl)-3-quinolinecarboxylic acid; 1-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3- quinolonecarboxylic acid; 1-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid, 9CI; 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11404	DR01565	.	359.4	C19H22FN3O3	64.099	613	-0.2	26	1	7	4	"1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)"	CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F	SPFYMRJSYKOXGV-UHFFFAOYSA-N
DG00427	PD131628	72448	"127967-03-7; PD 131628; UNII-YS492L6CHP; YS492L6CHP; 1,8-Naphthyridine-3-carboxylic acid, 7-[(3S)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-; (S)-7-(3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid; 7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; (S)-7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; 1,8-Naphthyridine-3-carboxylic acid, 7-((3S)-3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-; 7-(3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid; CI-990 (Hydrochloride); CHEMBL51678; PD131628 (Hydrochloride); SCHEMBL9838735; DTXSID9074486; PD131628; PD131628-0002B; 1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, (S)-; 1-Cyclopropyl-6-fluoro-7-[3beta-amino-1-pyrrolidinyl]-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid"	Terminated	10	Discontinued Drug(s)	Terminated	Small molecular drug	.	.	.	.	.	332.33	C16H17FN4O3	99.8	594	-0.1	24	2	8	3	"1S/C16H17FN4O3/c17-12-5-10-13(22)11(16(23)24)7-21(9-1-2-9)14(10)19-15(12)20-4-3-8(18)6-20/h5,7-9H,1-4,6,18H2,(H,23,24)/t8-/m0/s1"	C1CN(C[C@H]1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F	MUKSDTOOLRNSIO-QMMMGPOBSA-N
DG00429	Lestaurtinib	126565	A 1544750; CEP 701; KT 5555; KT5555; SP 924; CEP-701; KT-5555; SPM-924; Lestaurtinib (USAN/INN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:91471	DB06469	.	.	439.5	C26H21N3O4	88.6	886	2.2	33	3	4	1	"1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1"	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N
DG00430	Tetraphenylphosphonium chloride	164911	"Tetraphenylphosphonium chloride; 2001-45-8; Phosphonium, tetraphenyl-, chloride; tetraphenylphosphanium;chloride; MFCD00011916; tetraphenylphophonium chloride; EINECS 217-890-3; Ph4PCl; Tetraphenylphosphonium chloride, 98%; tetraphenylchlorophosphine; Phosphonium, tetraphenyl-, chloride (1:1); C24H20ClP; Tetraphenylphosphoniumchloride; tetraphenylphosphanium,chloride; SCHEMBL126056; CHEMBL223885; DTXSID00897533; AKOS015833164; TETRAPHENYL-PHOSPHONIUM-CHLORIDE; AS-15199; O459; SY032650; DB-045062; CS-0097966; FT-0633970; T1375; F15456; A855066; Q7706653; W-107657; Tetraphenylphosphonium chloride, for the spectrophotometric det. of Bi, Co, >=97.0%"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	374.8	C24H20ClP	0	301	.	26	0	1	4	"1S/C24H20P.ClH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1"	C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]	WAGFXJQAIZNSEQ-UHFFFAOYSA-M
DG00432	Aminodeoxykanamycin	439318	"Aminodeoxykanamycin; bekanamycin; Kanamycin B; nebramycin factor 5; Bekanamycine; Bekanamycinum; Becanamicina; Bekanamycinum [INN-Latin]; Bekanamycine [INN-French]; Becanamicina [INN-Spanish]; EINECS 225-170-5; BRN 0061646; Aminodeoxykanamycin sulfate; 4696-76-8; Antibiotic derived from Streptomyces kanamyceticus; AC1L2FQA; AC1Q57UP; Antibiotic derived from Streptomyces kanamyceticus. Kanamycin B; (1r,2s,4r,6s)-4,6-diamino-3-[(3-amino-3-deoxy-; A-d-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28098	DB13673	.	.	483.5	C18H37N5O10	288	639	-7.2	33	11	15	6	"1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1"	C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N	SKKLOUVUUNMCJE-FQSMHNGLSA-N
DG00433	Acriflavine	443101	"Acriflavine; Xanthacridinum; Euflavine; Pantonsiletten; Flavinetten; Assiflavine; Choliflavin; Bialflavina; Vetaflavin; Buroflavin; Tolivalin; Isravin; Diacrid; Zoriflavin; Trachosept; Gonacin; Flavisept; Flavioform; Bovoflavin; Mediflavin; Bioacridin; Angiflan; Tripla-etilo; Glyco-flavine; Acriflavine neutral; Acriflavine [NF]; Caswell No. 008; Euflavin; Flavacridinum hydrochloricum; Trypaflavine Neutral; CCRIS 5617; UNII-1T3A50395T; EPA Pesticide Chemical Code 000501; Acridinium, 3,6-diamino-10-methyl-, chloride, mixt. with 3,6-acridined"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB13373	.	.	469	C27H25ClN6	121	486	.	34	4	6	0	"1S/C14H13N3.C13H11N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;1H"	C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.[Cl-]	PEJLNXHANOHNSU-UHFFFAOYSA-N
DG00434	Decitabine	451668	"AzadC; Dacogen; Dezocitidine; NCGC_5ADOC; Dacogen (TN); E-7373; Decitabine (USAN/INN); Dacogen, 5-aza-2'-deoxycytidine,NSC 127716, Dacogen, DAC, Decitabine; 2'-Deoxy-5-azacytidine; 4-Amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one; 4-Amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-s-triazin-2(1H)-one; 4-Amino-1-(2-deoxy-beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one; 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one; 5-AZAdC; 5-Aza-2′-Deoxycytidine; 5-Aza-2'-deoxycytidine; 5-Azadeoxycytidine; 5-Deoxy-2′-azacytidine; 5-aza-2-deoxycytidine; 5-aza-CdR; 5-aza-dC; 5A2dc"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:50131	DB01262	.	DR1763	228.21	C8H12N4O4	121	356	-1.2	16	3	4	2	"1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1"	C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)CO)O	XAUDJQYHKZQPEU-KVQBGUIXSA-N
DG00435	Pyrimethamine/Atovaquone	456850	"Atovaquone & Pyrimethamine; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-naphthalene-1,4-dione; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	615.5	C34H32Cl2N4O3	132	837	.	43	3	7	4	"1S/C22H19ClO3.C12H13ClN4/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26;1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h1-4,9-13,15,24H,5-8H2;3-6H,2H2,1H3,(H4,14,15,16,17)"	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O	BXDNHABGOUHQGH-UHFFFAOYSA-N
DG00436	IFN-alpha	826634	"IFN alpha-IFNAR-IN-1; 844882-93-5; IFN-alpha; CHEMBL1617534; DNDI1417107; N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine; Methyl-[2-(naphthalen-1-ylsulfanyl)-benzyl]-amine; IFNAR-IN-1; ZINC346644; BDBM50014088; AKOS005066179; HY-12836; N-Methyl-2-(1-naphthylthio)benzenemethaneamine; A915034; N-methyl-1-(2-(naphthalen-1-ylthio)phenyl)methanamine; BENZENEMETHANAMINE,N-METHYL-2-(1-NAPHTHALENYLTHIO)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	279.4	C18H17NS	37.3	293	4.6	20	1	2	4	"1S/C18H17NS/c1-19-13-15-8-3-5-11-17(15)20-18-12-6-9-14-7-2-4-10-16(14)18/h2-12,19H,13H2,1H3"	CNCC1=CC=CC=C1SC2=CC=CC3=CC=CC=C32	OHDXDNUPVVYWOV-UHFFFAOYSA-N
DG00437	Tetraphenylphosphonium bromide	2724163	"Tetraphenylphosphonium bromide; 2751-90-8; Phosphonium, tetraphenyl-, bromide; Phosphonium, tetraphenyl-, bromide (1:1); tetraphenylphosphanium;bromide; MFCD00011915; Tetraphenylphosponium bromide; Tetraphenylphosphoniumbromide; tetraphenylphosphanium,bromide; EINECS 220-393-4; Ph4PBr; Bromotetraphenylphosphorane; C24H20BrP; Tetraphenylphosphorus bromide; SCHEMBL42616; CHEMBL456063; DTXSID30883722; BCP24497; Tetraphenylphosphonium bromide, 97%; NSC115672; TETRAPHENYL-PHOSPHONIUM-BROMIDE; AKOS015833052; AKOS025117489; CS-W013858; NSC 115672; NSC-115672; AS-12560; DB-047239; FT-0634467; T1069; A819099; W-107108; Tetraphenylphosphonium bromide, Vetec(TM) reagent grade, 97%"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	419.3	C24H20BrP	0	301	.	26	0	1	4	"1S/C24H20P.BrH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1"	C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]	BRKFQVAOMSWFDU-UHFFFAOYSA-M
DG00438	Toremifene	3005573	"Acapodene; Estrimex; Farestone; Toremifeno; Toremifenum; Toremifene Base; Toremifeno [Spanish]; Toremifenum [Latin]; GTx 006; Acapodene (TN); FC-1157a; Fareston (TN); GTx-006; Toremifene (INN); Toremifene [INN:BAN]; Z-Toremifene; GTX-006 (Acapodene); Toremifene Citrate (1:1); {2-[4-(4-Chloro-1,2-diphenyl-but-1-enyl)-phenoxy]-ethyl}-dimethyl-amine; (Z)-2-(4-(4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine; 2-(p-[(Z)-4-chloro-1,2-diphenyl-1-butenyl]-phenoxy)-N,N-dimethyl-ethylamine citrate(1:1); 2-(para-((Z)-4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine (IUPAC); 2-({4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenyl}oxy)-N,N-dimethylethanamine; 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine; 2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9635	DB00539	DR01170	.	406	C26H28ClNO	12.5	483	7.2	29	0	2	9	"1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-"	CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\\C2=CC=CC=C2)/C3=CC=CC=C3	XFCLJVABOIYOMF-QPLCGJKRSA-N
DG00439	Thiopurine	3015569	"2-Mercaptopurine; 2-Thiopurine; 28128-19-0; 5-Mercaptopurine; Purine-2-thiol; 3,7-dihydropurine-2-thione; Thiopurine; UNII-81XK02929C; 81XK02929C; 2-Purinethiol; 7H-purine-2-thiol; 1,3-Dihydro-2H-purine-2-thione; 2-MP; 3,7-dihydro-2H-purine-2-thione; EINECS 248-855-0; NSC 23720; 2H-Purine-2-thione, 1,3-dihydro-; SCHEMBL3896; DTXSID60878767; NSC23720; MFCD00047145; NSC-23720; ZINC12955987; AKOS006275100; 2-Mercaptopurine, >=95%, crystalline; 2H-Purine-2-thione, 1,3-dihydro- (9CI); FT-0694524; W-202176; Q27269279"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	152.18	C5H4N4S	85.2	190	0.1	10	2	2	0	"1S/C5H4N4S/c10-5-6-1-3-4(9-5)8-2-7-3/h1-2H,(H2,6,7,8,9,10)"	C1=NC(=S)NC2=C1NC=N2	HDBQZGJWHMCXIL-UHFFFAOYSA-N
DG00440	Sulfonamides	3085933	"Sulfonamides, C12-18-alkane; (C12-18) Alkane sulfonamides; 73138-90-6"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	249.42	C12H27NO2S	68.5	165	5.5	16	2	4	12	"1S/C12H27NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(14)15/h13H,2-12H2,1H3,(H,14,15)"	CCCCCCCCCCCCNS(=O)O	DVMOOMUBCZHSBG-UHFFFAOYSA-N
DG00441	Sodium lauryl sulfate	3423265	Anticerumen; Dreft; Dupanal; Duponal; Duponol; Gardinol; Irium; NALS; Natriumlaurylsulfat; Neutrazyme; SDS; SLS; Syntapon; WAQE; Akyposal SDS; Aquarex ME; Aquarex methyl; Carsonol SLS; Carsonol SLS Paste B; Carsonol SLS Special; Conco Sulfate WAG; Conco Sulfate WAN; Conco Sulfate WAS; Conco sulfate WA; Conco sulfate WN; DODECYL SULFATE; Dupanol WAQ; Duponal WAQE; Duponol C; Duponol Me; Duponol QC; Duponol WA; Duponol WA dry; Duponol WAQ; Duponol WAQE; Duponol WAQM; Duponol methyl; Duponol qx; Duponol waqa; EMAL O; Empicol LPZ; Hexamol SLS; Incronol SLS; Laurylsiran sodny; Lauyl sodium sulfate; Maprobix NEU; Maprofix LK; Maprofix NEU; Maprofix WAC; Melanol CL; Montopol La Paste; Nikkol SLS; Orvus WA Paste; Perlandrol L; Perlankrol L; Richonol A; Richonol C; Richonol af; SDS Running Buffer; Sintapon L; Sipex OP; Sipex SP; Sipex UB; Sipex sb; Sipex sd; Sipon LS; Sipon LSB; Sipon PD; Sipon WD; Sodium Laurylsulfate; Solsol needles; Standapol WAQ; Stepanol ME; Stepanol ME Dry AW; Stepanol WA; Stepanol WA Paste; Stepanol me dry; Stepanol methyl; Stepanol wac; Stepanol waq; Sterling wa paste; Sulfotex wa; Texapon DL; Trepenol WA; Avirol 101; Avirol 118; Avirol 118 conc; Berol 452; CP 75424; Cycloryl 21; Cycloryl 31; Cycloryl 580; Cycloryl 585N; Detergent 66; Emal 10; Emersal 6400; Empicol LS 30; Empicol LX 28; Finasol osr2; MP SILICA RP 18; Maprofix 563; Melanol CL 30; Monagen Y 100; Monogen Y 100; Odoripon Al 95; Perklankrol ESD 60; Rewopol NLS 30; Sinnopon LS 100; Sinnopon LS 95; Sipon LS 100; Standapol 112; Standapol 112 conc; Standapol was 100; Steinapol NLS 90; Stepanol T 28; Sulfetal L 95; Sulfopon wa 1; Swascol 3L; Tarapon K 12; Tvm 474; Emulsifier no. 104; Finasol osr(sub 2); IPC-SDS;Jordanol SL-300; Lanette Wax-S; Maprofix WAC-LA; Product no. 161; Product no. 75; Quolac EX-UB; S-4600; Standapol wa-ac; Stepanol WA-100; Sterling WAQ-CH; Ultra sulfate sl-1	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8984	DB00815	.	.	288.38	C12H25NaO4S	74.8	249	.	18	0	4	12	"1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1"	CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]	DBMJMQXJHONAFJ-UHFFFAOYSA-M
DG00442	Tilmicosin	5282521	"Tilmicosin; 108050-54-0; Micotil 300; UNII-XL4103X2E3; EL-870; EL870; XL4103X2E3; Ly177370; LY-177370; Tilmicosina; Tilmicosine; Tilmicosinum; Tilmicosine [INN-French]; Tilmicosinum [INN-Latin]; Tilmicosina [INN-Spanish]; C46H80N2O13; HSDB 7446; NSC-759584; Tilmicosin [USAN:USP:INN:BAN]; NCGC00096003-01; (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hy; droxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione; LY-177370;EL-870; Micotil (TN); Tilmicosin (USP/INN); DSSTox_CID_26011; DSSTox_RID_81287; DSSTox_GSID_46011; 4(sup A)-O-de(2,6-Dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo-20-(cis-3,5-dimethylpiperidino)tylosin; SCHEMBL149192; CHEMBL1908333; DTXSID5046011; ACT06683; HY-B0905; Tox21_111546; s4122; ZINC238809114; ZINC245204941; CCG-270545; DB11471; NSC 759584; NCGC00348375-01; NCGC00348375-02; Tilmicosin 100 microg/mL in Acetonitrile; Tylosin, 4(sup A)-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo-20-(3,5-dimethyl-1-piperidinyl)-, 20(cis)-; Tylosin, 4A-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo-20-(3,5-dimethyl-1-piperidinyl)-; CAS-108050-54-0; D02492; AB01566912_01; 050T540; Q722387; Tilmicosine, Antibiotic for Culture Media Use Only; Q-100992; 20-Deoxo-20-(3,5-dimethyl-1-piperidinyl)desmycosin; Tylosin, 4A-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo-20-((3R,5S)-3,5-dimethyl-1-piperidinyl)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11471	.	.	869.1	C46H80N2O13	186	1420	3.6	61	4	15	12	"1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-/m1/s1"	CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CCN3C[C@@H](C[C@@H](C3)C)C)C)\\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC	JTSDBFGMPLKDCD-XVFHVFLVSA-N
DG00443	Carbomycin	5287879	"Carbomycin A; CARBOMYCIN; Magnamycin; Magnamycin A; UNII-AIK0XUF3AV; Deltamycin A4; AIK0XUF3AV; Carbomycin acetate; M-4209; 4564-87-8; Carbomicina; Carbomycine; Carbomycinum; GS MAI 5201 52 3; GS-MAI 5201-52-3; (2S,3S,4R,6S)-6-(((2R,3S,4R,5R,6S)-6-(((1S,3R,7R,8S,9S,10R,12R,16S,E)-7-acetoxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl)oxy)-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl)oxy)-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate; Carbomycin [INN]; Magnamycin (VAN); NSC 51001; Carbomycine [INN-French]; Carbomycinum [INN-Latin]; Carbomicina [INN-Spanish]; Carbomycin A (8CI); AI3-50160; CHEMBL1231649; Leucomycin V, 9-deoxy-12,13-epoxy-12,13-dihydro-9-oxo-, 3-acetate; DB11383; [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(1S,3R,7R,8S,9S,10R,12R,14E,16S)-7-acetyloxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate; Leucomycin V, 9-deoxy-12,13-epoxy-12,13-dihydro-9-oxo-, 3-acetate 4B-(3-methylbutanoate), (12S,13S)-; UNII-3952621T3O component FQVHOULQCKDUCY-OGHXVOSASA-N; (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(1S,3R,7R,8S,9S,10R,12R,14E,16S)-7-(acetyloxy)-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate (non-preferred name); An antibiotic obtained from cultures of Streptomyces halstedii, or the same substance produced by any other means"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11383	.	.	842	C42H67NO16	215	1470	1.8	59	2	17	14	"1S/C42H67NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h12-13,15,21-25,27,29-31,34-41,49-50H,14,16-20H2,1-11H3/b13-12+/t22-,23-,24-,25+,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1"	C[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O[C@@H](C[C@H]2[C@@H](O2)/C=C/C1=O)C)OC(=O)C)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O	FQVHOULQCKDUCY-OGHXVOSASA-N
DG00444	Colistin	5311054	"Colistin sulphate; Polymyxin E; Colistin sulfate, nonsterile; Polymyxin E. Sulfate; Coly-Mycin M Parenteral (TN)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00803	.	DR2644	1155.4	C52H98N16O13	491	2050	-3.3	81	18	18	28	"1S/C52H98N16O13/c1-9-29(6)11-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-27(2)3)66-50(79)39(26-28(4)5)65-45(74)34(15-21-55)60-46(37)75/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t29 ,30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,41+,42+/m1/s1"	CCC(C)CCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)[C@@H](C)O	YKQOSKADJPQZHB-QNPLFGSASA-N
DG00445	Furazolidone	5323714	"Bifuron; Corizium; Coryzium; Diafuron; Enterotoxon; Furall; Furaxon; Furaxone; Furazol; Furazolidine; Furazolidon; Furazolidona; Furazolidonum; Furazolum; Furazon; Furidon; Furovag; Furox; Furoxal; Furoxane; Furoxon; Furoxone; Furozolidine; Giardil; Giarlam; Medaron; Neftin; Nicolen; Nifulidone; Nifuran; Nifurazolidone; Nifurazolidonum; Nitrofurazolidone; Nitrofurazolidonum; Nitrofuroxon; Optazol; Ortazol; Puradin; Roptazol; Sclaventerol; Tikofuran; Topazone; Trichofuron; Tricofuron; Tricoron; Trifurox; Viofuragyn; Fiurox aerosol powder; Furoxone Liquid; Furoxone Swine Mix; NF 180 custom mix ten; F-8900; Furazolidona [INN-Spanish]; Furazolidone [INN:BAN]; Furazolidonum [INN-Latin]; Furox Aerosol Powder (Veterinary); Furoxone (TN); NF-180; Usaf ea-1; Dependal-M (TN); Furazolidone (USP/INN); N-(5-Nitro-2-furfurylidene)-3-amino-2-oxazolidone; N-(5-Nitro-2-furfurylidene)-3-aminooxazolidine-2-one; 3-(((5-Nitro-2-furanyl)methylene)amino)-2-oxazolidinone; 3-((5-Nitrofurfurylidene)amino)-2-oxazolidinone; 3-((5-Nitrofurfurylidene)amino)-2-oxazolidone; 3-((5-Nitrofurylidene)amino)-2-oxazolidone; 3-(5'-Nitrofurfuralamino)-2-oxazolidone; 3-(5-Nitrofurfurylideneamino)-2-oxazolidinone; 3-[(5-Nitrofurfurylidene)amino]-2-oxazolidinone; 3-[(5-Nitrofurfurylidene)amino]-2-oxazolidone; 3-[(5-Nitrofurylidene)amino]-2-oxazolidone; 3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one; 3-[[(5-Nitro-2-furanyl)methylene]amino]-2-oxazolidinone; 3-{[(5-Nitro-2-furanyl)methylene]amino}-2-oxazolidinone; 3-{[(5-nitro-2-furyl)methylene]amino}-1,3-oxazolidin-2-one; 3-{[(E)-(5-nitrofuran-2-yl)methylidene]amino}-1,3-oxazolidin-2-one; 5-Nitro-N-(2-oxo-3-oxazolidinyl)-2-furanmethanimine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5195	DB00614	.	.	225.16	C8H7N3O5	101	326	-0.1	16	0	6	2	"1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+"	C1COC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-]	PLHJDBGFXBMTGZ-WEVVVXLNSA-N
DG00447	Cefpirome	5479539	"CEFPIROME; 84957-29-9; Cefpiroma; Cefpiromum; Cefrom; HR 810; UNII-S72Q2F09HY; cefpirome sulfate; CHEBI:3503; S72Q2F09HY; (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; cefpirome sulphate; HR-810; (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(6,7-dihydro-5H-cyclopenta[b]pyridinium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 5H-Cyclopenta[b]pyridinium,1-[[(6R,7R)-7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-6,7-dihydro-, inner salt; Cefpiromum [Latin]; Cefpiroma [Spanish]; Cefpirome [INN:BAN]; NCGC00181339-01; Broact; Keiten; Cefir; Cefpirome (INN); Cefir (TN); HR-810 FREE BASE; SCHEMBL49406; MLS006010792; CHEMBL65794; DTXSID2048244; SCHEMBL22207951; C22H22N6O5S2; AKOS016013926; DB13682; (6R,7R)-7-(()-2-(2-Amino-4-thiazolyl)-2-methoxyiminoacetamido)-8-oxo-3-(2beta-trimethylenpyridinio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carboxylat; 1-(((6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-6,7-dihydro-5H-1-pyridinium hydroxide, inner salt; 5H-1-Pyrindinium, 1-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-6,7-dihydro-, hydroxide, inner salt, (6R-(6alpha,7beta(Z)))-; H828; SMR004701476; 98753-19-6; D07649; 1-{[(6R,7R)-2-carboxylato-7-{[(2Z)-1-hydroxy-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-(methoxyimino)ethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-5H,6H,7H-cyclopenta[b]pyridin-1-ium; 5H-1-Pyrindinium, 1-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-5,6,7,8-tetrahydro-, hydroxide, inner salt, (6R-(6alpha,7beta(Z)))-; 7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(6,7-dihydro-5H-cyclopenta[b]pyridinium-1-ylmethyl)-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB13682	.	DR2656	514.6	C22H22N6O5S2	208	955	0.9	35	2	10	6	"1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32)/b26-15-/t16-,20-/m1/s1"	CO/N=C(/C1=CSC(=N1)N)\\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCC5)C(=O)[O-]	DKOQGJHPHLTOJR-WHRDSVKCSA-N
DG00448	Amoxicillin/Clavulanic acid	6435924	"Amoxicillin + clavulanic acid; Amoxicillin and clavulanic acid; 79198-29-1; Amoxicillin + clavulinic acid; (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; Amoksiclav; Amoxyclav; Synulox; Amox-clav; Amoxicillin clavulanate; Augmentin (free acid); Amoxicillin & Clavulanate; Amoxicillin clavulanate acid; Amoxicillin & Clavulanic acid; SCHEMBL591660; CHEMBL2097107; Amoxicillin-clavulanic acid mixt.; DTXSID80872429; Amoxicillin mixture with Clavulanate; Clavulanate mixture with amoxicillin; Clavulanic acid - amoxicillin mixt.; NCGC00188989-01; (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, (2R,3Z,5R)-, mixt. with (2S,5R,6R)-6-(((2R)-amino(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; 4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, (2R-(2alpha,3Z,5alpha))-, mixt. with (2S-(2alpha,5alpha,6beta(S*))-6-((amino(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	564.6	C24H28N4O10S	245	914	.	39	6	12	6	"1S/C16H19N3O5S.C8H9NO5/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);1,6-7,10H,2-3H2,(H,12,13)/b;4-1-/t9-,10-,11+,14-;6-,7-/m11/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C.C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O	QJVHTELASVOWBE-AGNWQMPPSA-N
DG00449	Angolamycin	6438267	"Angolamycin; 1402-83-1; 2-[(14E)-9-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-8,12,16-trimethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde; BRN 6045489; Angolamycin, BRN 6045489; 2-[(14E)-9-[5-(4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-7-hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]-8,12,16-trimethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde; 2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-et"	Terminated	10	Discontinued Drug(s)	Terminated	Small molecular drug	.	.	.	.	.	916.1	C46H77NO17	231	1570	1.2	64	4	18	13	"1S/C46H77NO17/c1-13-33-29(22-57-44-41(56-12)40(55-11)37(52)25(4)60-44)43-46(8,64-43)16-14-31(49)23(2)18-28(15-17-48)38(24(3)32(50)20-34(51)61-33)62-35-19-30(47(9)10)39(26(5)58-35)63-36-21-45(7,54)42(53)27(6)59-36/h14,16-17,23-30,32-33,35-44,50,52-54H,13,15,18-22H2,1-12H3/b16-14+"	CCC1C(C2C(O2)(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3CC(C(C(O3)C)OC4CC(C(C(O4)C)O)(C)O)N(C)C)CC=O)C)C)COC5C(C(C(C(O5)C)O)OC)OC	KZXDKUWSAVUSKI-JQIJEIRASA-N
DG00450	Rosaramicin	6537204	Rosaramicin; Juvenimicin A3; ROSAMICIN	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:87084	.	.	.	581.7	C31H51NO9	135	941	2.3	41	2	10	6	"1S/C31H51NO9/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30/h10,12-13,17-22,24-25,27-30,35,37H,9,11,14-16H2,1-8H3/b12-10+/t17-,18-,19+,20-,21+,22+,24-,25-,27-,28-,29+,30+,31+/m1/s1"	CC[C@@H]1[C@H]([C@H]2[C@@](O2)(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)CC=O)C)C)C	IUPCWCLVECYZRV-JZMZINANSA-N
DG00451	Tulathromycin A	9832301	"Tulathromycin A; 217500-96-4; Tulathromycin; Draxxin; UNII-897A3KN7AP; 897A3KN7AP; (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-5-(propylaminomethyl)oxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one; Tulathrmycin A; yl)oxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one; (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-5-(propylaminometh; CP 472295; Tulathromycin A [USAN]; SCHEMBL14672085; DTXSID60274184; EX-A243; CHEBI:182495; AMY19375; Tulathromycin A, >=95% (HPLC); s3712; ZINC94313254; CCG-270497; CS-1622; DB11474; HY-15662; CP-472,295; A12279; C21788; T-8800; Tulathromycin A 100 microg/mL in Acetonitrile; 500T964; A849260; Q7851973; Tulathromycin, Antibiotic for Culture Media Use Only; UNII-Q839I13422 component GUARTUJKFNAVIK-QPTWMBCESA-N; (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2RChemicalbook,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-5-(propylaminomethyl)oxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one; (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-((2,6-Dideoxy-3-C-methyl-3-O-methyl-4-C-((propylamino)methyl)-alpha-L-ribo-hexopyranosyl)oxy)-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-1-oxa-6-azacyclopentadecan-15-one; 1-Oxa-6-azacyclopentadecan-15-one, 13-((2,6-dideoxy-3-C-methyl-3-O-methyl-4-C-((propylamino)methyl)-alpha-l-ribo-hexopyranosyl)oxy)-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl)oxy)-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-; 1-OXA-6-AZACYCLOPENTADECAN-15-ONE,13-[[2,6-DIDEOXY-3-C-METHYL-3-O-METHYL-4-C-[(PROPYLAMINO)METHYL]-A-L-RIBO-HEXOPYRANOSYL]OXY]-2-ETHYL-3,4,10-TRIHYDROXY-3,5,8,10,12,14-HEXAMETHYL-11-[[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-B-D-XYLO-HEXOPYRANOSYL]OXY]-, (2R,3S; 1-Oxa-6-azacyclopentadecan-15-one,13-[[2,6-dideoxy-3-C-methyl-3-O-methyl-4-C-[(propylamino)methyl]-a-L-ribo-hexopyranosyl]oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11474	.	.	806.1	C41H79N3O12	201	1240	3.8	56	7	15	11	"1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)55-33-25(5)35(56-37-32(45)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)34(46)40(11,49)30(16-2)54-36(47)26(33)6/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3/t23-,24-,25+,26-,27-,28+,29+,30-,31+,32-,33+,34-,35-,37+,38-,39-,40-,41+/m1/s1"	CCCNC[C@@]1([C@@H](O[C@H](C[C@@]1(C)OC)O[C@H]2[C@@H]([C@H]([C@](C[C@H](CN[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]2C)CC)(C)O)O)C)C)(C)O)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)O	GUARTUJKFNAVIK-QPTWMBCESA-N
DG00452	Linopristin	9919429	"Linopristin; UNII-312V80FR4J; 325965-23-9; 312V80FR4J; Linopristin [INN]; DTXSID10186288; Q6554731; N-((6R,9S,10R,13S,15aS,22S,24aS)-22-((4-(dimethylamino)phenyl)methyl)-6-ethyl-10,23-dimethyl-18-((morpholin-4-yl)methyl)-5,8,12,15,21,24-hexaoxo-13-phenyl-1,2,3,5,6,7,8,9,10,11,12,13,14,15,15a,16,19,21,22,23,24,24a-docosahydropyrido(2,1-f)pyrrolo(2,1-l)(1,4,7,10,13,16)oxapentaazacyclononadecin-9-yl)-3-hydroxypyridine-2-carboxamide; N-((6R,9S,10R,13S,15aS,22S,24aS)-22-(4-(dimethylamino)benzyl)-6-ethyl-10,23-dimethyl-18-(morpholinomethyl)-5,8,12,15,21,24-hexaoxo-13-phenyl-1,2,3,5,6,7,8,9,10,13,14,15,15a,16,19,21,22,23,24,24a-icosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1]oxa[4,7,10,13,16]pentaazacyclononadecin-9-yl)-3-hydroxypicolinamide; N-[(3S,6S,12R,15S,16R,19S,22S)-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-25-(morpholin-4-ylmethyl)-2,5,11,14,18,21-hexaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacos-24-en-15-yl]-3-hydroxypyridine-2-carboxamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	950.1	C50H63N9O10	223	1860	3.1	69	4	13	9	"1S/C50H63N9O10/c1-6-36-47(64)58-23-11-14-38(58)48(65)56(5)39(28-32-16-19-35(20-17-32)55(3)4)49(66)59-30-33(29-57-24-26-68-27-25-57)18-21-37(59)44(61)54-42(34-12-8-7-9-13-34)50(67)69-31(2)41(45(62)52-36)53-46(63)43-40(60)15-10-22-51-43/h7-10,12-13,15-20,22,31,36-39,41-42,60H,6,11,14,21,23-30H2,1-5H3,(H,52,62)(H,53,63)(H,54,61)/t31-,36-,37+,38+,39+,41+,42+/m1/s1"	CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CC(=CC[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CN6CCOCC6)CC7=CC=C(C=C7)N(C)C)C	NVGNYGXBILPHOS-VXNAYKIUSA-N
DG00454	6'-N-Ethylnetilmicin	15344654	6'-N-Ethylnetilmicin	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	503.6	C23H45N5O7	186	703	-3.3	35	8	12	10	"1S/C23H45N5O7/c1-5-27-10-12-7-8-13(24)21(33-12)34-18-14(25)9-15(28-6-2)19(16(18)29)35-22-17(30)20(26-4)23(3,31)11-32-22/h7,13-22,26-31H,5-6,8-11,24-25H2,1-4H3/t13-,14+,15-,16+,17-,18-,19+,20-,21-,22-,23+/m1/s1"	CCNCC1=CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)NCC)N)N	RZXCDENQJDMFQY-OLUUFXIRSA-N
DG00455	Lankamycin	15560071	"Lankamycin; UNII-68DQY2P51C; 30042-37-6; 68DQY2P51C; Kujimycin B; Lankavamycin; (2R,3S,4S,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5R,6S)-5-acetoxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-7-hydroxy-10-(((2S,3R,4S,6R)-3-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-((2S,3S)-3-hydroxybutan-2-yl)-3,5,7,9,11,13-hexamethyl-6,14-dioxooxacyclotetradecan-4-yl acetate; Antibiotic A-20338-N2; A-20338-N2; CHEBI:80017; Q27149163; [(2R,3S,4S,5R,7S,9S,10S,11R,12S,13R)-12-[(2R,4R,5R,6S)-5-acetyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-hydroxy-2-[(2S,3S)-3-hydroxybutan-2-yl]-10-[(2S,3R,4S,6R)-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-6,14-dioxo-oxacyclotetradec-4-yl] acetate"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	833	C42H72O16	212	1390	3.9	58	3	16	12	"1S/C42H72O16/c1-19-17-41(12,49)37(47)24(6)35(54-28(10)44)23(5)34(21(3)26(8)43)57-39(48)25(7)36(22(4)33(19)58-40-32(46)30(50-14)16-20(2)52-40)56-31-18-42(13,51-15)38(27(9)53-31)55-29(11)45/h19-27,30-36,38,40,43,46,49H,16-18H2,1-15H3/t19-,20+,21-,22+,23-,24+,25+,26-,27-,30-,31-,32+,33-,34+,35-,36-,38+,40-,41-,42+/m0/s1"	C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]3C[C@@]([C@@H]([C@@H](O3)C)OC(=O)C)(C)OC)C)[C@@H](C)[C@H](C)O)C)OC(=O)C)C)(C)O)C)O)OC	JQMACDQCTNFQMM-QAOHEUSVSA-N
DG00456	Sodium deoxycholate	23668196	"Sodium deoxycholate; 302-95-4; Deoxycholic acid sodium salt; Sodium desoxycholate; Deoxycholate sodium; Desoxycholate sodium; Sodium 7-deoxycholate; Deoxycholic acid, sodium salt; UNII-436LS6U35Y; 7-Deoxycholic acid sodium salt; CHEBI:9177; 3-alpha,12-alpha-Dihydroxy-5-beta-cholan-24-oic acid sodium salt; 436LS6U35Y; MFCD00064139; NCGC00091038-01; ATX 101; Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3a,5b,12a)-; 3,12-Dihydroxy-cholan-24-oic acid monosodium salt, (3-alpha,5-beta,12-alpha)- (9CI); DSSTox_CID_13389; DSSTox_RID_79069; DSSTox_GSID_33389; Sodium deoxycholic acid; Na-Desoxycholat; Na-Desoxycholat [German]; Sodiumdeoxycholate; CAS-302-95-4; CCRIS 655; Deoxycholic acid sodium salt monohydrate; Desoxycholic acid sodium salt; EINECS 206-132-7; sodium (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate; Dihydroxy 3-12 cholanate de Na [French]; Dihydroxy 3-12 cholanate de Na; Natrium-3-alpha,12-alpha-dihydroxycholanat [German]; deoxycholic acid sodium; Sodium 3-alpha,12-alpha-dihydroxy-5-beta-cholan-24-oate; Natrium-3-alpha,12-alpha-dihydroxycholanat; 145224-92-6; SCHEMBL37482; MLS002695906; 3alpha,12alpha-Dihydroxy-5beta-cholanic acid sodium salt; CHEMBL1365278; DTXSID5033389; HY-N0593A; Deoxycholic acid sodium salt hydrate; Tox21_111066; Tox21_200896; 5-beta-Cholan-24-oic acid, 3-alpha,12-alpha-dihydroxy-, sodium salt; AKOS002391107; AKOS017345123; CS-8046; NSC 681065; Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)-; NCGC00258450-01; AC-24206; BP-31018; O134; SMR001562102; Sodium deoxycholate, >=97% (titration); 68512-EP2275413A1; 68512-EP2308855A1; Deoxycholic acid sodium salt, for electrophoresis; Sodium 3- ,12- -dihydroxy-5- -cholan-24-oate; Q-200935; Q25474151; sodium 3alpha,12alpha-dihydroxy-5beta-cholan-24-oate; Sodium deoxycholate, Vetec(TM) reagent grade, >=97%; Sodium deoxycholate, BioXtra, >=98.0% (dry matter, NT); Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3-alpha,5-beta,12-alpha)- (9CI); Sodium deoxycholate, Suitable for manufacturing of diagnostic kits and reagents; sodium (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate; Sodium deoxycholate, PharmaGrade, Manufactured under appropriate controls for use as a raw material in pharma or biopharmaceutical production; sodium(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate; Sodium;(4R)-4-[(3R,5R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate; sodium;(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	414.6	C24H39NaO4	80.6	612	.	29	2	4	4	"1S/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1"	C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]	FHHPUSMSKHSNKW-SMOYURAASA-M
DG00457	Arylomycin C16	54586211	Arylomycin C16; CHEMBL1784531; SCHEMBL14234622; BDBM50441139	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	881.1	C46H68N6O11	255	1500	6.4	63	8	11	23	"1S/C46H68N6O11/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-39(56)51(4)36(28-53)44(60)48-29(2)42(58)47-27-40(57)52(5)41-32-21-23-38(55)34(26-32)33-24-31(20-22-37(33)54)25-35(46(62)63)50-43(59)30(3)49-45(41)61/h20-24,26,29-30,35-36,41,53-55H,6-19,25,27-28H2,1-5H3,(H,47,58)(H,48,60)(H,49,61)(H,50,59)(H,62,63)/t29-,30+,35+,36-,41+/m1/s1"	CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)[C@H]1C2=CC(=C(C=C2)O)C3=C(C=CC(=C3)C[C@H](NC(=O)[C@@H](NC1=O)C)C(=O)O)O	HGWCKYGOWQEYSJ-JBWZRHCTSA-N
DG00459	Corticostatin	56841867	"Corticostatin; 68563-24-6; 113255-28-0; (7-28)-Corticotropin; Acth(7-38); Defensin; Acth (7-38); Corticostatin-I; Corticotripin-inhibiting peptide; Corticotropin-inhibiting peptide; CIP peptide; ACTH (7-38) (human); Corticotropin-Inhibiting Peptide (CIP); FRWGKPVGKKRRPVKVYPNGAEDESAEAFPLE-OH; 103220-14-0; alpha7-38-Corticotropin (pig), 31-L-serine-; H-Phe-Arg-Trp-Gly-Lys-Pro-Val-Gly-Lys-Lys-Arg-Arg-Pro-Val-Lys-Val-Tyr-Pro-Asn-Gly-Ala-Glu-Asp-Glu-Ser-Ala-Glu-Ala-Phe-Pro-Leu-Glu-OH"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	3659.1	C167H257N47O46	1510	8780	-18.5	260	51	54	120	"1S/C167H257N47O46/c1-87(2)75-113(150(245)200-112(164(259)260)59-63-131(227)228)203-153(248)120-48-31-73-213(120)162(257)117(77-95-37-16-13-17-38-95)205-138(233)93(11)188-142(237)107(56-60-128(221)222)192-137(232)92(10)189-152(247)119(86-215)207-148(243)109(58-62-130(225)226)197-151(246)116(81-132(229)230)202-147(242)108(57-61-129(223)224)193-136(231)91(9)187-125(218)83-184-141(236)115(80-124(173)217)204-154(249)121-49-32-74-214(121)163(258)118(78-96-52-54-98(216)55-53-96)206-159(254)134(89(5)6)208-149(244)104(43-22-26-66-170)198-158(253)135(90(7)8)210-156(251)123-51-34-72-212(123)161(256)111(47-30-70-182-167(178)179)199-145(240)106(46-29-69-181-166(176)177)196-144(239)103(42-21-25-65-169)195-143(238)102(41-20-24-64-168)190-126(219)85-186-157(252)133(88(3)4)209-155(250)122-50-33-71-211(122)160(255)110(44-23-27-67-171)191-127(220)84-185-140(235)114(79-97-82-183-101-40-19-18-39-99(97)101)201-146(241)105(45-28-68-180-165(174)175)194-139(234)100(172)76-94-35-14-12-15-36-94/h12-19,35-40,52-55,82,87-93,100,102-123,133-135,183,215-216H,20-34,41-51,56-81,83-86,168-172H2,1-11H3,(H2,173,217)(H,184,236)(H,185,235)(H,186,252)(H,187,218)(H,188,237)(H,189,247)(H,190,219)(H,191,220)(H,192,232)(H,193,231)(H,194,234)(H,195,238)(H,196,239)(H,197,246)(H,198,253)(H,199,240)(H,200,245)(H,201,241)(H,202,242)(H,203,248)(H,204,249)(H,205,233)(H,206,254)(H,207,243)(H,208,244)(H,209,250)(H,210,251)(H,221,222)(H,223,224)(H,225,226)(H,227,228)(H,229,230)(H,259,260)(H4,174,175,180)(H4,176,177,181)(H4,178,179,182)/t91-,92-,93-,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,133-,134-,135-/m0/s1"	C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC9=CC=CC=C9)N	ZKALIGRYJXFMNS-XBDDSDALSA-N
DG00460	Lincosamides	56842237	Lincosamides; D055231000	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	831.5	C36H67ClN4O11S2	275	1000	.	54	9	15	14	"1S/C18H33ClN2O5S.C18H34N2O6S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9 ,10-,11+,12 ,13+,14-,15-,16-,18-;9-,10-,11+,12-,13+,14-,15-,16-,18-/m11/s1"	CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O.CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(C)Cl	MMYMXHAXTQPVRO-DGXIQQDPSA-N
DG00461	Insulin	.	"BrioDurance; Insulin (agglomerated vesicle technology, diabetes), Cense Biosciences; Insulin (subcutaneous/nanoparticle/suspension/sustained release formulation, diabetes); Insulin (subcutaneous/nanoparticle/suspension/sustained release formulation, diabetes), Cense Biosciences"	Approved	1	Approved Drug(s)	Approved	Hormones/Insulins	.	.	DB00030	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00463	Anastrazola/Goserelin	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00464	Carboplatin/Liposomal doxorubicin	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00465	Carboplatin/Paclitaxel	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00466	Cefoxitin/Clavulanate	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00467	Cefoxitin/Sulbactam	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00468	Cefoxitin/Tazobactam	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00469	Ceftazidime/Cloxacillin	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00470	Dapsone/Rifampin	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00471	Exemestane/Everolimus	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00472	Gefitinib/Pemetrexed	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00473	Lapatinib/Capecitabine	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00474	Rituximab/Doxorubicin	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00475	Tamoxifen/Goserelin	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00476	Tamoxifen/Trastuzumab	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00477	6-N-ethyl-netilmicin	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00478	Anti-EGFR treatment	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00479	Bacitracin methylene disalicylate	11980094	"Bacitracin methylene disalicylate; Bacitracin methylene disalicylate; 55852-84-1; MD bacitracin; Kemitracin 10; Caswell No. 066D; Fortracin (bacitracin-MD); Bacitracin, methylenebis(2-hydroxybenzoate); Bacitracin methylenedisalicylate; Bacitracin methylenedisalicylic acid; EINECS 259-862-3; Methylenebis(2-hydroxybenzoate)bacitracin; Bacitracin, methylenebis(2-hydroxybenzoate) (salt)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00626	.	.	1729	C81H117N17O23S	683	3170	.	122	20	29	54	"1S/C66H105N17O17S.C15H12O6/c1-9-35(6)52(70)65-81-48(32-101-65)62(96)76-43(26-34(4)5)58(92)74-42(22-23-50(85)86)57(91)83-53(36(7)10-2)63(97)75-40(20-15-16-24-67)55(89)73-41(21-17-25-68)56(90)82-54(37(8)11-3)64(98)79-44(27-38-18-13-12-14-19-38)59(93)77-45(28-39-31-71-33-72-39)60(94)78-46(30-51(87)88)61(95)80-47(66(99)100)29-49(69)84;16-12-7-3-1-5-10(12)14(18)20-9-21-15(19)11-6-2-4-8-13(11)17/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67-68,70H2,1-8H3,(H2,69,84)(H,71,72)(H,73,89)(H,74,92)(H,75,97)(H,76,96)(H,77,93)(H,78,94)(H,79,98)(H,80,95)(H,82,90)(H,83,91)(H,85,86)(H,87,88)(H,99,100);1-8,16-17H,9H2/t35 ,36-,37-,40-,41+,42+,43-,44+,45-,46+,47-,48 ,52 ,53-,54-;/m0./s1"	CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C3CSC(=N3)C(C(C)CC)N.C1=CC=C(C(=C1)C(=O)OCOC(=O)C2=CC=CC=C2O)O	.
DG00480	BPI-derived peptide P2	.	.	Terminated	10	Discontinued Drug(s)	Terminated	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00481	Cefametazole	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00482	Ciprofloxacin	2764	Ciprofloxacin; 85721-33-1; Ciprofloxacine; Ciprobay; Ciproxan; Ciprofloxacina; Ciprofloxacinum; Ciprofloxacino; Cipro IV; Ciproxina; Ciprinol; Bernoflox; Ciprodar; Cifloxin; Septicide; Bacquinor; Ciproquinol; Cipromycin; Ciprocinol; Cipro XR; Superocin; Ciprowin; Ciprolon; Ciproflox; Ciprecu; BAY q 3939; Spitacin; Quintor; Quinolid; Proflaxin; Probiox; Ipiflox; Zumaflox; Ciproxine; Ciprolin; Roxytal; Italnik; Fimoflox; Corsacin; Citopcin; Ciprogis; Rancif; Ciriax; Ciplus; Baflox; Loxan; Cilab; Cycin; Cixan; Unex; GW1843; Ciprofloxacin Hydrochloride; Ciprofloxacin intratympanic - Otonomy	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:100241	DB00537	DR00783	DR2273	331.34	C17H18FN3O3	72.9	571	-1.1	24	2	7	3	"1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)"	C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O	MYSWGUAQZAJSOK-UHFFFAOYSA-N
DG00483	Cortiosteroids	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00484	Elfamycin	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00485	FGFR inhibitors	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00487	Fluoroquinolones	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00488	Gefitinib/S-1	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00489	HER2 inhibitors	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00490	Huaier	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00491	Huaier extract	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00492	Moenomycin	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00493	Moenomycin A	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00494	MPA	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00495	Oncolytic vaccinia virus	.	.	Phase 2	7	Clinical Trial Drug(s)	Phase 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00496	Pristinamycin I	.	.	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00497	Purine analogues	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00498	RAWQ01	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00499	Sulfamethizole/Sulfadiazine	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00500	Sulphonamides	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00501	Tetracycline/Minocycline	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00502	TKIS	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00503	TRAIL	.	Tumor necrosis factor-related apoptosis-inducing ligand	phase 3	5	Clinical Trial Drug(s)	phase 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00504	Tunicamycin	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	DB13172	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00505	SARS-CoV-2-neutralizing antibody S2E12	.	SARS-CoV-2-neutralizing antibody S2E12; mAbS2E12	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00506	COV2-2196	.	COV2-2196	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00507	COV2-3025	.	COV2-3025	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00508	COV2-2381	.	COV2-2381	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00509	SARS-CoV-2-neutralizing antibody S2H58	.	SARS-CoV-2-neutralizing antibody S2H58; S2H58; mAbS2H58	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00510	COV2-2050	.	COV2-2050	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00511	SARS-CoV-2-neutralizing antibody 1B07	.	SARS-CoV-2-neutralizing antibody 1B07; 1B07; mAb1B07	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00512	COVOX-384	.	COVOX-384	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00513	SARS-CoV-2-neutralizing antibody SARS2-10	.	SARS-CoV-2-neutralizing antibody SARS2-10; SARS2-10; mAbSARS2-10	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00514	COVOX-40	.	COVOX-40	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00515	SARS-CoV-2-neutralizing antibody 5-24	.	SARS-CoV-2-neutralizing monoclonal antibody 5-24; 5-24; mAb5-24	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00516	SARS-CoV-2-neutralizing antibody 4-8	.	SARS-CoV-2-neutralizing monoclonal antibody 4-8; 4-8; mAb4-8	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00517	SARS-CoV-2-neutralizing antibody 4A8	.	SARS-CoV-2-neutralizing antibody 4A8; mAb4A8	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00518	SARS-CoV-2-neutralizing antibody 2-17	.	SARS-CoV-2-neutralizing monoclonal antibody 2-17; 2-17; mAb2-17	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00519	SARS-CoV-2-neutralizing antibody 4-19	.	SARS-CoV-2-neutralizing monoclonal antibody 4-19; 4-19; mAb4-19	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00520	SARS-CoV-2-neutralizing antibody 5-7	.	SARS-CoV-2-neutralizing monoclonal antibody 5-7; 5-7; mAb5-7	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00521	Casirivimab	.	Casirivimab; REGN10933	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB15941	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00522	SARS-CoV-2-neutralizing antibody 910-30	.	SARS-CoV-2-neutralizing antibody 910-30; mAb910-30	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00523	SARS-CoV-2-neutralizing antibody 2-15	.	SARS-CoV-2-neutralizing monoclonal antibody 2-15; 2-15; mAb 2-15	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00524	Bamlanivimab	.	LY-CoV555; LY3819253	Phase 4	4	Approved Drug(s)	Phase 4	Monoclonal antibody	.	.	DB15718	.	.	146000	C6498H10068N1732O2032S46	.	.	.	.	.	.	.	.	.	.
DG00525	SARS-CoV-2-neutralizing antibody C121	.	SARS-CoV-2-neutralizing antibody C121; C121; mAbC121	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00526	Tocilizumab	.	Atlizumab; ocilizumab	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB06273	.	.	148000	C6428H9976N1720O2018S42	.	.	.	.	.	.	.	.	.	.
DG00527	Tixagevimab/Cilgavimab	.	.	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	DB16394; DB16393	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00528	Sarilumab	.	REGN88; SAR153191; Sarilumab	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB11767	.	.	150000	C6388H9918N1718O1998S44	.	.	.	.	.	.	.	.	.	.
DG00529	Casirivimab/Imdevimab	.	.	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	DB15941;DB15940	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00530	Canakinumab	.	ACZ-885; ACZ885	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB06168	.	.	145200	C6452H9958N1722O2010S42	.	.	.	.	.	.	.	.	.	.
DG00531	Anakinra	.	Anakinra; IL-1RA; Interleukin-1 receptor antagonist anakinra	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB00026	.	.	17257.6	.	.	.	.	.	.	.	.	.	.	.
DG00534	Molnupiravir	145996610	"EIDD 2801; EIDD-2801; EIDD2801; molnupiravir; 2349386-89-4; MK-4482; UNII-YA84KI1VEW; YA84KI1VEW; Eidd 1931-isopropyl ester; Molnupiravir [USAN]; ((2R,3S,4R,5R)-3,4-Dihydroxy-5-(4-(hydroxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl isobutyrate; [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2-methylpropanoate; 2492423-29-5; WHO 11853; ((2R,3S,4R,5R)-3,4-Dihydroxy-5-(4-(hydroxyamino)-2-oxopyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl isobutyrate; molnupiravirum; Lagevrio; Molnupiravir [INN]; Molnupiravir [WHO-DD]; pro-EIDD-1931; EIDD-2801(Molnupiravir); CHEMBL4650320; EIDD 1931 5'-isopropylester; GTPL10737; med.21724, Compound 182; CHEBI:180653; BDBM429508; BCP32744; EX-A3432; MFCD32663515; MK4482; s8969; AT13078; N(4)-hydroxycytidine 5'-isopropylester; N4-Hydroxycytidine, 5'-isopropyl ester; AC-35171; CS-0114880; beta-D-N4 Hydroxycytidine-5'-isopropyl ester; beta-D-N(4)-hydroxycytidine-5'-isopropyl ester; A936190; Uridine, 4-oxime, 5'-(2-methylpropanoate), (4Z)-; N-hydroxy-5'-O-(2-methylpropanoyl)-3,4-dihydrocytidine; EIDD 2801; EIDD2801; Uridine, 4-oxime, 5'-(2-methylpropanoate; ((2R,3S,4R,5R)-3,4-Dihydroxy-5-((4Z)-4-(hydroxyimino)-2-oxo-3,4- dihydropyrimidin-1(2H)-yl)oxolan-2-yl)methyl 2-methylpropanoate; ((2R,3S,4R,5R)-3,4-dihydroxy-5-((E)-4-(hydroxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl isobutyrate; {(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl]tetrahydrofuran-2-yl}methyl 2-methylpropanoate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB15661	.	.	329.31	C13H19N3O7	141	534	-0.8	23	4	7	6	"1S/C13H19N3O7/c1-6(2)12(19)22-5-7-9(17)10(18)11(23-7)16-4-3-8(15-21)14-13(16)20/h3-4,6-7,9-11,17-18,21H,5H2,1-2H3,(H,14,15,20)/t7-,9-,10-,11-/m1/s1"	CC(C)C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)NO)O)O	HTNPEHXGEKVIHG-QCNRFFRDSA-N
DG00535	SARS-CoV-2-neutralizing antibody SARS2-31	.	SARS-CoV-2-neutralizing antibody SARS2-31; SARS2-31; mAbSARS2-31	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00536	Sotrovimab	.	Sotrovimab	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB16355	.	.	149000	.	.	.	.	.	.	.	.	.	.	.
DG00537	Favipiravir	492405	"Favipiravir; 259793-96-9; 6-FLUORO-3-HYDROXYPYRAZINE-2-CARBOXAMIDE; T-705; 6-fluoro-3-oxo-3,4-dihydropyrazine-2-carboxamide; avigan; Favipiravir (T-705); 5-fluoro-2-oxo-1H-pyrazine-3-carboxamide; 6-fluoro-3-hydroxy-2-pyrazinecarboxamide; T 705; UNII-EW5GL2X7E0; Pyrazinecarboxamide, 6-fluoro-3,4-dihydro-3-oxo-; 6-fluoro-3-hydroxy-pyrazine-2-carboxamide; Favipiravir; T-705; EW5GL2X7E0; T705; MFCD12032148; 2-Pyrazinecarboxamide, 6-fluoro-3-hydroxy-; 6-Fluoro-3,4-dihydro-3-oxo-2-pyrazinecarboxamide; T-705 cpd; Fapilavir; Favilavir; Favipiravir [USAN:INN:JAN]; Avigan (TN); SCHEMBL587913; Favipiravir (JAN/USAN/INN); AMPZ0004; CHEMBL221722; SCHEMBL15157866; GTPL11139; AOB2076; DTXSID60948878; CHEBI:134722; BCPP000056; BCP02422; EX-A2285; BBL104098; QC-771; s7975; STL557913; ZINC13915654; AKOS005166863; AKOS015995178; ZINC584639712; ZINC584639713; ACN-041491; CCG-266269; CS-0612; DB12466; PB25591; NCGC00373041-03; NCGC00373041-06; AC-28900; DA-19682; HY-14768; MS-20791; SY110833; AM20080851; FT-0686297; FT-0701282; A25520; D09537; 6-fluoro-3,4-dihydro-3-oxo-Pyrazinecarboxamide; 793P969; A902150; J-518718; T 705,CAS;259793-96-9; Q16934561"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12466	.	.	157.1	C5H4FN3O2	84.6	282	-0.6	11	2	4	1	"1S/C5H4FN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)"	C1=C(N=C(C(=O)N1)C(=O)N)F	ZCGNOVWYSGBHAU-UHFFFAOYSA-N
DG00538	Baricitinib	44205240	"Baricitinib; 1187594-09-7; INCB028050; olumiant; LY3009104; 2-(3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile; INCB 028050; INCB-028050; 1-(Ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrile; LY-3009104; UNII-ISP4442I3Y; Baricitinib (LY3009104, INCB028050); ISP4442I3Y; 2-[1-ETHYLSULFONYL-3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PYRAZOL-1-YL]AZETIDIN-3-YL]ACETONITRILE; LY 3009104; LY3009104 (phosphate);INCB028050 (phosphate); C16H17N7O2S; 3-Azetidineacetonitrile, 1-(ethylsulfonyl)-3-(4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-1H-pyrazol-1-yl)-; Baricitinib [USAN:INN]; INCB 28050; Olumiant (TN); 3-AZETIDINEACETONITRILE, 1-(ETHYLSULFONYL)-3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]-; 3JW; MLS006011247; SCHEMBL871150; Baricitinib (JAN/USAN/INN); Baricitinib (LY3009104); Baricitinib (INCB028050); GTPL7792; CHEMBL2105759; AMMD00005; CHEBI:95341; DTXSID30152228; EX-A413; QCR-197; HMS3651L17; HMS3672M15; HMS3747G21; AOB87724; BCP04686; BDBM50021656; MFCD21608464; NSC799357; s2851; ZINC73069247; AKOS022186127; AKOS025401933; AM81232; BCP9000380; CCG-268312; CS-0724; DB11817; DS-7641; NSC-799357; PB27275; SB10845; NCGC00345839-01; NCGC00345839-14; NCGC00345839-16; 2-(3-(4-(3H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile; AC-27404; HY-15315; SMR004703006; BCP0726000031; AB0035958; Baricitinib (INCB28050, LY3009104); FT-0775037; SW220096-1; Y0439; D10308; A892931; J-503551; Q4860707; (1-(Ethylsulfonyl)-3-(4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-1H-pyrazol-1-yl)azetidin-3-yl)ethanenitrile; {1-(ethylsulfonyl)-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]azetidin-3-yl}acetonitrile; INCB 28050; INCB28050; LY-3009104;1-(Ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyriMidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrile; INCB-028050; ; ; LY-3009104; ; ; 2-[1-Ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11817	.	.	371.4	C16H17N7O2S	129	678	-0.5	26	1	7	5	"1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)"	CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	XUZMWHLSFXCVMG-UHFFFAOYSA-N
DG00539	Nirmatrelvir/Ritonavir	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB16691; DB00503	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00540	Gemtuzumab ozogamicin	.	Gemtuzumab ozogamicin	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB00056	.	.	150500	.	.	.	.	.	.	.	.	.	.	.
DG00541	Brentuximab vedotin	.	"Brentuximab; Brentuximab vedotin; Brentuximab vedotin brentuximab; Brentuximab vedotina; cAC10-vcMMAE; Moab, chimeric, SGN-30, to CD30 antigen; Monoclonal antibody SGN-30"	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB08870	.	.	.	C6476H9930N1690O2030S40	.	.	.	.	.	.	.	.	.	.
DG00542	Inotuzumab ozogamicin	.	Inotuzumab ozogamicin	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB05889	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00543	Loncastuximab tesirine	.	Loncastuximab tesirine; loncastuximab tesirine-lpyl	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB16222	.	.	151000	.	.	.	.	.	.	.	.	.	.	.
DG00544	Erlotinib HCI	176871	"Erlotinib hydrochloride; 183319-69-9; erlotinib HCl; Tarceva; N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride; OSI-774; OSI 774; Erlotinib (Hydrochloride); CP 358774; CP-358774; UNII-DA87705X9K; erlotinib, hydrochloride salt; Erlotinib HCl (OSI-744); Tarceva (Erlotinib Hydrochloride); NSC 718781; DA87705X9K; 6,7-bis(2-methoxyethoxy)-4-(3-ethynylanilino)quinazoline hydrochloride; N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;hydrochloride; MFCD07781272; 4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-, hydrochloride (1:1); NSC-718781; 6,7-bis(2-methoxyethoxy)-4-(3-ethynylanilino)quinazoline hcl; 183319-69-9 (HCl); CP-358,774-01; C22H24ClN3O4; [6,7-BIS-(2-METHOXY-ETHOXY)-QUINAZOLIN-4-YL]-(3-ETHYNYL-PHENYL)-AMINE HYDROCHLORIDE; N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine Monohydrochloride.; CHEBI:53509; OSI-744; SMR002529980; NSC718781; 4-(m-Ethynylanilino)-6,7-bis(2-methoxyethoxy)quinazoline monohydrochloride; RG-1415; 183319-69-9 pound not183321-74-6; R-1415; Erlotinib, HCl; erlotinib hcl salt; Erlotinib hydrochloride [USAN:INN]; Tarceva (OSI); tarceva hydrochloride; erlotonib hydrochloride; Erlotinib hydrochlroide; Erlotinib(OSI-744); MLS003899192; MLS004774139; C22H23N3O4.HCl; CHEMBL1079742; NSC 718781) HCl; DTXSID10171412; EX-A064; SYN1039; Erlotinib Hydrochloride (Tarceva); BCPP000238; AOB87784; BCP02600; AC-400; CP-358; s1023; AKOS015849087; BCP9000658; CCG-269002; CS-0123; KS-1202; MCULE-9498970160; PB30965; SB16917; 4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-, monohydrochloride; Ro-50-8231; BE164421; BP-30224; HY-12008; M375; (CP358774; DB-011534; AM20090622; FT-0651479; EC-000.2313; CP-358774-01; E-4007; J10200; 319E699; Q27124083; F0001-2385; Erlotinib Hydrochloride,CP-358774, OSI-774, NSC 718781; 6,7-Bis-(2-methoxyethoxy)-4-(3-ethynylanilino)quinazoline hydrochloride; [6,7-Bis(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl- phenyl)amine hydrochloride; N-(3-Ethynylphenyl)-6,7-bis(1-methoxyethoxy)-4-quinazolinamine hydrochloride; N-(3-ETHYNYLPHENYL)-6,7-BIS(2-METHOXYETHOXY)-4-QUINAZOLINAMINE HYDROCHLORIDE; N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine, monohydrochloride; N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-quinazolin-4-amine hydrochloride"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	DR0603	429.9	C22H24ClN3O4	74.7	525	.	30	2	7	11	"1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H"	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl	GTTBEUCJPZQMDZ-UHFFFAOYSA-N
DG00545	PKI-587	44516953	"Gedatolisib; 1197160-78-3; PKI-587; PF-05212384; PKI 587; PKI587; 1-(4-(4-(Dimethylamino)piperidine-1-carbonyl)phenyl)-3-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)urea; PF 05212384; UNII-96265TNH2R; PF-05212384 (PKI-587); CHEMBL592445; 96265TNH2R; 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea; N-[4-[[4-(Dimethylamino)-1-piperidinyl]carbonyl]phenyl]-N'-[4-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]phenyl]urea; Gedatolisib (PF-05212384, PKI-587); PKI-587; PF-05212384; 1-(4-((4-(dimethylamino)piperidin-1-yl)carbonyl)phenyl)-3-(4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl)urea; Urea, N-(4-((4-(dimethylamino)-1-piperidinyl)carbonyl)phenyl)-N'-(4-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)phenyl)-; Gedatolisib [USAN:INN]; 1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}phenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea; Urea, N-[4-[[4-(dimethylamino)-1-piperidinyl]carbonyl]phenyl]-N'-[4-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)phenyl]-; PK 587; PK 1587; Gedatolisib(PKI-587); Gedatolisib (USAN/INN); Gedatolisib (PKI-587); SCHEMBL32393; GTPL7940; AOB5085; DTXSID40152557; EX-A028; QCR-208; C32H41N9O4; HMS3748M11; BCP01986; BDBM50308135; MFCD16875679; NSC758256; NSC801014; s2628; ZINC49757175; AKOS005766013; CCG-264662; CS-0449; DB11896; FE-0013; NSC-758256; NSC-801014; SB16571; NCGC00370777-01; NCGC00370777-04; AC-31519; HY-10681; FT-0700110; PKI-587,PF-05212384; X7445; A25474; D10635; J-004182; J-523339; Q27077788; PKI-587; 1197160-78-3; PKI587; PKI 587; N-[4-[[4-(Dimethylamino)-1-piperidinyl]carbonyl]phenyl]-N'-[4-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)phenyl]urea; N-{4-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}-N'-{4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl}urea; VL1"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB11896	.	.	615.7	C32H41N9O4	128	913	2.4	45	2	10	7	"1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)"	CN(C)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6	DWZAEMINVBZMHQ-UHFFFAOYSA-N
DG00546	MK1775	24856436	"MK-1775; 955365-80-7; Adavosertib; MK1775; MK 1775; AZD1775; AZD 1775; AZD-1775; UNII-K2T6HJX3I3; 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one; 2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-((4-(4-methylpiperazin-1-yl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one; 2-allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(4-(4-methylpiperazin-1-yl)phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one; K2T6HJX3I3; MFCD17215200; 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-one; 1-[6-(2-Hydroxypropan-2-Yl)pyridin-2-Yl]-6-{[4-(4-Methylpiperazin-1-Yl)phenyl]amino}-2-(Prop-2-En-1-Yl)-1,2-Dihydro-3h-Pyrazolo[3,4-D]pyrimidin-3-One; 3H-Pyrazolo(3,4-d)pyrimidin-3-one, 1,2-dihydro-1-(6-(1-hydroxy-1-methylethyl)-2-pyridinyl)-6-((4-(4-methyl-1-piperazinyl)phenyl)amino)-2-(2-propen-1-yl)-; 3H-Pyrazolo[3,4-d]pyrimidin-3-one, 1,2-dihydro-1-[6-(1-hydroxy-1-methylethyl)-2-pyridinyl]-6-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-2-(2-propen-1-yl)-; 8X7; Adavosertib (USAN); Kinome_2656; Adavosertib (MK-1775); MLS006011025; GTPL7702; QCR-46; SCHEMBL1504444; CHEMBL1976040; CHEBI:91414; DTXSID30241868; EX-A331; C27H32N8O2; HMS3295K03; HMS3654H20; HMS3744I13; AOB87173; BCP01928; BDBM50240826; MK-1775 (WEE-1); NSC754352; NSC800793; s1525; ZINC63539231; AKOS024259153; MK-1775(AZD-1775,Adavosertib); Adavosertib pound MK-1775 pound(c); AM90274; BCP9000937; CCG-264905; CS-0105; DB11740; NSC-754352; NSC-800793; SB16663; NCGC00263183-01; NCGC00263183-09; NCGC00263183-10; 2-allyl-1-(6-(2-hydroxy-2-propanyl)-2-pyridinyl)-6-((4-(4-methyl-1-piperazinyl)phenyl)amino)-1,2-dihydro-3H-pyrazolo(3,4-d)pyrimidin-3-one; 2-Allyl-1-[6-(2-hydroxy-2-propyl)-2-pyridyl]-6-[[4-(4-methyl-1-piperazinyl)phenyl]amino]pyrazolo[3,4-d]pyrimidin-3(2H)-one; AC-28416; AS-17001; BM161385; HY-10993; SMR004702820; SY258875; FT-0699265; SW218122-2; X7493; D11361; BRD-K54256913-001-01-2; Q27074716; 1075739-30-8; 2-allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(4-(4-methylpiperazin-1-yl)phenylamino)-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one; 2-allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(4-(4-methylpiperazin-1-yl)phenylamino)-1H-pyrazo; 2-Allyl-1-[6-(1-hydroxy-1-methyl-ethyl)-pyridin-2-yl]-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one; 2-Allyl-1-[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:91414	DB11740	.	.	500.6	C27H32N8O2	101	795	3.1	37	2	9	7	"1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)"	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N
DG00547	Dovitinib	135398510	"Dovitinib; 405169-16-6; CHIR-258; TKI-258; 4-Amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one; Chir 258; Dovitinib (TKI-258, CHIR-258); CHIR258; TKI258; UNII-I35H55G906; Dovitinib lactate; CHEMBL522892; 804551-71-1; CHEMBL4578973; MFCD10565680; I35H55G906; TKI 258; 4-amino-5-fluoro-3-(5-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)quinolin-2(1H)-one; 4-Amino-5-Fluoro-3-(6-(4-Methylpiperazin-1-yl)-1H-Benzo[D]Imidazol-2-yl)Quinolin-2(1H)-One; (3Z)-4-Amino-5-fluoro-3-[5-(4-methyl-1-piperazinyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]-2(3H)-quinolinone; (3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one; 1027263-12-2; C21H21FN6O; Dovitinib [INN]; 4-AMINO-5-FLUORO-3-[ 5- (4-METHYLPIPERAZIN-1-YL)-1H-BENZIMIDAZOL-2-YL]QUINOLIN-2(1H)-ONE; 38O; TK-258; Kinome_1513; Dovitinib (TKI-258); NVP-TKI258; MLS006009991; SCHEMBL172687; GFKI-258; GTPL5962; SCHEMBL9975396; SCHEMBL20399550; BDBM25118; CHEBI:91395; AOB6730; QCR-175; SYN1029; BCPP000286; BDBM153731; CHIR-258(Dovitinib,TKI258); Dovitinib,TKI258, CHIR-258; HMS3295E21; HMS3651E03; BCP01981; EX-A2051; ZINC3816310; CHIR-258, TKI258, Dovitinib; CHIR258 (TKI-258); BDBM50507579; NSC759661; NSC800092; NSC807408; s1018; ZINC18710083; Dovitinib; TKI-258; CHIR-258; AKOS005146311; AKOS015951093; ZINC100270141; BCP9000518; CCG-264778; CS-0120; DB05928; NSC-759661; NSC-800092; NSC-807408; PB13248; SB20297; 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-quinolin-2-one; NCGC00249685-01; NCGC00249685-02; NCGC00249685-11; (3E)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one; 1447274-99-8; AC-32059; AS-19556; HY-50905; SMR004701066; FT-0667782; SW219787-1; Y0345; EC-000.2257; A24080; C75053; TKI-258;CHIR-258;Unii-I35H55G906; 169A166; 326D834; 1,3-benzodiazol-2-yl]-1,2-dihydroquinolin-2-one; J-514396; BRD-K85402309-001-01-7; Q27077102; Q27163255; Q27453625; 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-; B2693-091881; 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]quinolin-2 (1h)-one; 4-amino-5-fluoro-3-[6(4-methyl-1-piperazinyl)-1h-benzimidazol-2-yl]-2(1h)-quinolinone; 4-amino-5-fluoro-3-[6-(4-methyl-piperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one; 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazole-2-yl]quinolin-2(1H)-one; (3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,3-dihydrobenzimidazol-2-ylidene]carbostyril; 4-amino-5-fluoro-3-[5-(4-methyl-1-piperazinyl)-1,3-dihydrobenzimidazol-2-ylidene]-2-quinolinone; 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-2,3-dihydroquinolin-2-one; 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1,2-dihydroquinolin-2-one"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB05928	.	.	392.4	C21H21FN6O	90.3	678	1.6	29	3	6	2	"1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)"	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N
DG00548	Aspirin	2244	"Aspirin; ACETYLSALICYLIC ACID; 50-78-2; 2-Acetoxybenzoic acid; 2-(Acetyloxy)benzoic acid; O-Acetylsalicylic acid; Acetylsalicylate; o-Acetoxybenzoic acid; Acylpyrin; Easprin; Ecotrin; Acenterine; Acetophen; Polopiryna; Acetosal; Colfarit; Salicylic acid acetate; o-Carboxyphenyl acetate; Enterosarein; Aceticyl; Acetonyl; Acetosalin; Acetylin; Aspergum; Aspirdrops; Benaspir; Micristin; Pharmacin; Premaspin; Salcetogen; Temperal; Ecolen; Empirin; Endydol; Rhodine; Saletin; Rheumintabletten; Solprin acid; Acidum acetylsalicylicum; Benzoic acid, 2-(acetyloxy)-; Acetisal; Acetylsal; Aspirine; Bialpirina; Bialpirinia; Claradin; Clariprin; Entericin; Enterophen; Enterosarine; Globentyl; Measurin; Neuronika; Salacetin; Solpyron; Acesal; Acisal; Asagran; Asteric; Cemirit; Decaten; Duramax; Extren; Globoid; Helicon; Idragin; Levius; Pirseal; Rhonal; Solfrin; Adiro; Aspec; Aspro; Novid; Yasta; Acetosalic acid; 2-acetyloxybenzoic acid; Triple-sal; Spira-Dine; ZORprin; Bi-prin; Acetilum acidulatum; Acimetten; Delgesic; Entrophen; Persistin; 2-Carboxyphenyl acetate; Acetilsalicilico; Dolean pH 8; A.S.A. empirin; XAXA; Acido acetilsalicilico; Contrheuma retard; Acide acetylsalicylique; Endosprin; Kapsazal; Bayer; ASA; Acetylsalicylsaure; aspirin (acetylsalicylic acid); Solprin; Triaminicin; Asatard; Tasprin; Nu-seals aspirin; Salicylic acid, acetate; Acido O-acetil-benzoico; Kyselina acetylsalicylova; 2-Acetoxybenzenecarboxylic acid; St. Joseph Aspirin for Adults; A.S.A.; St. Joseph; Kyselina 2-acetoxybenzoova; SP 189; Acetard; AC 5230; Acetylsalicylsaeure; Azetylsalizylsaeure; S-211; UNII-R16CO5Y76E; ECM; CHEBI:15365; 2-(acetyloxy)benzoate; o-(Acetyloxy)benzoic acid; acide 2-(acetyloxy)benzoique; R16CO5Y76E; Aspirin form II; component of Midol; NSC27223; component of Synirin; MFCD00002430; NSC-27223; 8-hour Bayer; component of Zactirin; NSC-406186; component of Coricidin; component of Persistin; component of Robaxisal; o-Acetoxybenzoate; NCGC00015067-04; o-acetyl-salicylic acid; Acetysal; Istopirin; Magnecyl; Medisyl; Polopirin; Ronal; Bayer Buffered; DSSTox_CID_108; Aspro Clear; component of Ascodeen-30; Bayer Plus; WLN: QVR BOV1; Rheumin tabletten; AcetylsalicylicAcid; DSSTox_RID_75372; DSSTox_GSID_20108; Aspirina 03; Acetylsalycilic acid; acetyl salicylic acid; component of Darvon with A.S.A; Bayer Aspirin 8 Hour; Asaphen; Aspalon; Durlaza; Asprin; Bayer Children's Aspirin; Nu-seals; component of St. Joseph Cold Tablets; Aspir-Mox; Durlaza ER; Acetylsalicylsaure [German]; CAS-50-78-2; Acetoxybenzoic acid; Acetysalicylic acid; 11126-35-5; 1173022-25-7; AIN; SMR000059138; Ascoden-30; Benzoicacid, 2-(acetyloxy)-; Acetylsalicyclic acid; CCRIS 3243; HSDB 652; Acide acetylsalicylique [French]; Acido acetilsalicilico [Italian]; Kyselina acetylsalicylova [Czech]; Acido O-acetil-benzoico [Italian]; SR-01000075668; Kyselina 2-acetoxybenzoova [Czech]; Bayer Extra Strength Aspirin for Migraine Pain; EINECS 200-064-1; NSC 27223; Aspirin [USP:BAN:JAN]; Bayer Enteric 325 mg Regular Strength; BRN 0779271; Bay E4465; Aspropharm; Bayer Enteric 81 mg Adult Low Strength; Cardioaspirin; Cardioaspirina; Acetyonyl; Asacard; Ascolong; Bayer Enteric 500 mg Arthritis Strength; Colsprin; Miniasal; Salospir; Acesan; Toldex; AI3-02956; acetyl salicylate; 1oxr; 2-Acetoxybenzoate; 99512-66-0; Aspirin,(S); Aspalon (JAN); Durlaza (TN); Easprin (TN); acetyl-salicylic acid; Aspirin USP-26; acetyl salicyclic acid; o-(Acetyloxy)benzoate; Percodan (Salt/Mix); Ascriptin (Salt/Mix); Micrainin (Salt/Mix); 2-acetoxy benzoic acid; Acetylsalicylicum acidum; Spectrum_001245; 2-Acetylsalicyclic acid; Salicylic acid, acetyl-; CHEMBL25; Spectrum2_001899; Spectrum3_001295; Spectrum4_000099; Spectrum5_000740; Aspirin (JP17/USP); Lopac-A-5376; Salycylacetylsalicylic acid; benzoic acid, 2-acetoxy-; Epitope ID:114151; Percodan Demi (Salt/Mix); Soma Compound (Salt/Mix); ZINC53; EC 200-064-1; Acetylsalicylic acid, 99%; Aspirin USP (3080); cid_2244; Pravigard PAC (Salt/Mix); SCHEMBL1353; 2-(Acetyloxy)-benzoic acid; Aspirin USP (2080B); Bay-e-4465; Acetylsalicylic acid-[13C]; Lopac0_000038; KBioGR_000398; KBioGR_002271; KBioSS_001725; KBioSS_002272; 4-10-00-00138 (Beilstein Handbook Reference); MLS001055329; MLS001066332; MLS001336045; MLS001336046; Acetylsalicylic acid (who-ip); BIDD:GT0118; DivK1c_000555; SPECTRUM1500130; SPBio_001838; Acetylsalicylic acid, >=99%; GTPL4139; (non-d)Acetylsalicylic Acid-d3; O-Acetylsalicylic acid; Aspirin; DTXSID5020108; Acetylsalicylic acid-carboxy-14c; BDBM22360; HMS501L17; KBio1_000555; KBio2_001725; KBio2_002271; KBio2_004293; KBio2_004839; KBio2_006861; KBio2_007407; KBio3_002149; KBio3_002751; Empirin with Codeine (Salt/Mix); Acetylsalicylic acid, >=99.0%; cMAP_000006; component of Zactirin (Salt/Mix); NINDS_000555; HMS1920E13; HMS2090G03; HMS2091K13; HMS2233L18; HMS3260G17; HMS3372N15; HMS3656N14; HMS3715P19; HMS3866L03; HMS3885G03; Pharmakon1600-01500130; BCP21790; STR01551; ACETYLSALICYLIC ACID; ASPIRIN; Tox21_110076; Tox21_202117; Tox21_300146; Tox21_500038; CCG-39490; NSC406186; NSC755899; s3017; STL137674; AKOS000118884; component of Ascodeen-30 (Salt/Mix); Tox21_110076_1; BAY1019036; CS-2001; DB00945; LP00038; MCULE-3199019536; NSC-755899; PL-2200; SDCCGSBI-0050027.P005; BAY-1019036; IDI1_000555; Acetylsalicylic acid, analytical standard; NCGC00015067-01; NCGC00015067-02; NCGC00015067-03; NCGC00015067-05; NCGC00015067-06; NCGC00015067-07; NCGC00015067-08; NCGC00015067-09; NCGC00015067-10; NCGC00015067-11; NCGC00015067-12; NCGC00015067-13; NCGC00015067-14; NCGC00015067-24; NCGC00015067-26; NCGC00090977-01; NCGC00090977-02; NCGC00090977-03; NCGC00090977-04; NCGC00090977-05; NCGC00090977-06; NCGC00090977-07; NCGC00254034-01; NCGC00259666-01; NCGC00260723-01; Aspirin, meets USP testing specifications; H740; HY-14654; NCI60_002222; SBI-0050027.P004; DS-017139; UNM-0000306102; component of Darvon with A.S.A (Salt/Mix); EU-0100038; FT-0655181; FT-0661360; SW199665-2; A 5376; Acetylsalicylic Acid 1.0 mg/ml in Acetonitrile; C01405; D00109; Q18216; AB00051918-08; AB00051918_09; AB00051918_10; Arthritis Pain Formula Maximum Strength (Salt/Mix); SR-01000075668-1; SR-01000075668-4; SR-01000075668-6; Acetylsalicylic acid, Vetec(TM) reagent grade, >=99%; Aspirin, British Pharmacopoeia (BP) Reference Standard; F2191-0068; Z234893989; Aspirin, United States Pharmacopeia (USP) Reference Standard; D41527A7-A9EB-472D-A7FC-312821130549; Acetylsalicylic acid, European Pharmacopoeia (EP) Reference Standard; Acetylsalicylic acid, BioReagent, plant cell culture tested, >=99.0%; Acetylsalicylic acid for peak identification, European Pharmacopoeia (EP) Reference Standard; Aspirin (Acetyl Salicylic Acid), Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:15365	DB00945	DR00203	DR1749	180.16	C9H8O4	63.6	212	1.2	13	1	4	3	"1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)"	CC(=O)OC1=CC=CC=C1C(=O)O	BSYNRYMUTXBXSQ-UHFFFAOYSA-N
DG00549	Clopidogrel	60606	"Clopidogrel; 113665-84-2; Plavix; (S)-Clopidogrel; Zyllt; Clopidogrel bisulfate; Clopidogrel Acino; Clopidogrel Hexal; (+)-Clopidogrel; CLOPIDOGREL SULFATE; (+)-(S)-Clopidogrel; UNII-A74586SNO7; Clopidogrel BMS; SR 25990; methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate; CHEBI:37941; SR-25990C; A74586SNO7; Isocover; R 130964; (S)-Methyl 2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate; Clopidogrel (TN); Plavix (TN); methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoate; Thrombo; Clopidogrel [INN:BAN]; clopidogrel Sandoz; CHEMBL1083385; methyl (2S)-2-(2-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetate; SMR000550475; Clopidogrel Winthrop; Clopidogrel 1A Pharma; HSDB 7430; NSC-758613; Clopidogrel ratiopharm GmbH; Plavix® Clopidogrel apotex; (+) clopidogrel; CGE; Clopidogrel Teva (hydrogen sulphate); Clopidogrel-ratiopharm; Clopidogrel 1a-pharma; Spectrum_000105; CPD000550475; Clopidogrel (USP/INN); Spectrum2_000512; Spectrum3_001606; Spectrum4_000175; SCHEMBL4769; THIAMINELAURYLSULPHATE; CHEMBL1771; methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate; BSPBio_003211; KBioGR_000689; KBioSS_000545; MLS001165708; MLS001195633; MLS001304711; MLS006011891; BIDD:GT0284; DivK1c_000787; SPBio_000463; GTPL7150; DTXSID6022848; HMS502H09; KBio1_000787; KBio2_000545; KBio2_003113; KBio2_005681; KBio3_002431; AMY8913; NINDS_000787; HMS2090O21; HMS2234N16; HMS3259B08; HMS3715J08; BBL010770; BDBM50318910; BDBM50397662; MFCD05662337; NSC748298; STK580572; ZINC34781704; AKOS005504280; CCG-221243; CS-0656; DB00758; MCULE-9061369538; NC00703; NSC 758613; NSC-748298; IDI1_000787; Methyl (+)-(S)-alpha-(o-chlorophenyl)-6,7-dihydrothieno(3,2-c)pyridine-5(4H)-acetate; NCGC00163329-02; NCGC00163329-04; AC-19024; DS-13362; HY-15283; Thieno(3,2-c)pyridine-5(4H)-acetic acid, alpha-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (S)-; SBI-0052755.P002; D07729; N11780; AB00053786-07; AB00053786-08; AB00053786_09; AB00053786_10; Q410237; R-130964; BRD-K27721098-065-02-9; BRD-K27721098-065-05-2; UNII-MX75HY8K68 component GKTWGGQPFAXNFI-HNNXBMFYSA-N; methyl (2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate; (S)-(+)-Methyl (2-chlorophenyl)(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl)acetate; (S)-(+)-Methyl (2-chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl)acetate; methyl (+)-(S)-alpha-(2-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-acetate; methyl (+)-(s)-alpha-(o-chlorophenyl)-6,7-dihydrothieno-[3,2-c]pyridine-5(4h)-acetate; methyl (S)-(+)-alpha-(o-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-acetate; methyl(+)-(s)-alpha-(2-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4h) acetate; methyl-(S)-(+)-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-yl)-acetate; (+)-(S)-(2-Chlorophenyl) (6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester; (+)-(S)-2-(2-chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl)acetic acid methyl ester; Thieno[3,2-c]pyridine-5(4H)-acetic acid, .alpha.-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (.alpha.S)-; Thieno[3,2-c]pyridine-5(4H)-acetic acid, alpha-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (alphaS)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:37941	DB00758	DR00245	.	321.8	C16H16ClNO2S	57.8	381	3.8	21	0	4	4	"1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1"	COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3	GKTWGGQPFAXNFI-HNNXBMFYSA-N
DG00550	Infigratinib	53235510	"NVP-BGJ398; Infigratinib; 872511-34-7; BGJ398; BGJ-398; BGJ 398; Infigratinib free base; 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-((4-(4-ethylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)-1-methylurea; UNII-A4055ME1VK; BGJ398 (NVP-BGJ398); MVP-BGJ398; A4055ME1VK; CHEBI:63451; 872511-34-7 (free base); 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea; 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)phenylamino)pyrimidin-4-yl)-1-methylurea; 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea; C26H31Cl2N7O3; Truseltiq; CHEMBL1834657; 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-((4-(4-ethylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)-1-methylurea.; 3-(2,6-Dichloro-3,5-dimethoxyphenyl)-1-[6-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1-methylurea; Infigratinib [INN]; Infigratinib [USAN]; Infigratinib (BGJ398); Infigratinib (USAN/INN); Infigratinib [USAN:INN]; NVP-BGJ389; NVP-BGJ398(Infigratinib); MLS006010953; SCHEMBL374435; GTPL7877; QCR-48; CHEMBL1852688; DTXSID70236238; EX-A057; SYN1152; BGJ398, BGJ-398; HMS3295O21; AMY10737; AOB87703; BCP03602; BGJ398 - NVP-BGJ398; BDBM50355393; FD5035; MFCD22123241; NSC764487; s2183; WHO 10032; ZINC72105034; AKOS025149513; AKOS032949944; BCP9000399; CS-0586; DB11886; NSC-764487; SB16612; NCGC00274030-01; NCGC00274030-11; 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylurea; AC-28417; AS-16290; HY-13311; SMR004702757; Urea, N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(6-((4-(4-ethyl-1-piperazinyl)phenyl)amino)-4-pyrimidinyl)-N-methyl-; BCP0726000187; FT-0699366; Y0313; D11589; J-510477; BRD-K42728290-001-01-8; Q27075200; 07J; 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63451	DB11886	.	.	560.5	C26H31Cl2N7O3	95.1	724	4.7	38	2	8	8	"1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)"	CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl	QADPYRIHXKWUSV-UHFFFAOYSA-N
DG00551	Leflunomide	3899	"Leflunomide; 75706-12-6; Arava; lefunamide; Leflunomida; Leflunomidum; 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide; HWA 486; Leflunomidum [INN-Latin]; HWA-486; Repso; SU101; Arava (TN); 5-methyl-N-(4-(trifluoromethyl)phenyl)isoxazole-4-carboxamide; 5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide; 5-Methylisoxazole-4-carboxylic acid (4-trifluoromethyl)anilide; 4-Isoxazolecarboxamide, 5-methyl-N-[4-(trifluoromethyl)phenyl]-; alpha,alpha,alpha-Trifluoro-5-methyl-4-isoxazolecarboxy-p-toluidide; UNII-G162GK9U4W; SU-101; 5-methyl-N-[4-(trifluoromethyl)phenyl]isoxazole-4-carboxamide; RS-34821; CHEMBL960; MLS000069648; CHEBI:6402; G162GK9U4W; 5-Methylisoxazole-4-(4-trifluoromethylcarboxanilide); MFCD00867593; NSC-677411; NSC-759864; NCGC00015610-02; SMR000058209; 5-methyl-N-[4-(trifluoromethyl)phenyl]-4-isoxazolecarboxamide; 4-Isoxazolecarboxamide, 5-methyl-N-(4-(trifluoromethyl)phenyl)-; CAS-75706-12-6; leflunomide medac; DSSTox_CID_3201; DSSTox_RID_76923; DSSTox_GSID_23201; Leflunomida [INN-Spanish]; SU 101 (pharmaceutical); Lefunomide [Inn-Spanish]; HSDB 7289; SR-01000000191; Arabloc; HWA486; Leflunomide teva; N-(4'-Trifluoromethylphenyl)-5-methylisoxazole-4-carboxamide; L04AA13; Prestwick_87; Leflunomide [USAN:USP:INN:BAN]; Leflunomide winthrop; SU 101; SULOL; Leflunomide ratiopharm; Spectrum_000322; Opera_ID_1709; Prestwick0_000772; Prestwick1_000772; Prestwick2_000772; Prestwick3_000772; Spectrum5_000850; Lopac-L-5025; L 5025; SCHEMBL5057; BIDD:PXR0189; Lopac0_000649; BSPBio_000844; KBioSS_000802; Leflunomide, Immunosuppressant; MLS001076267; DivK1c_000916; Leflunomide (JAN/USP/INN); SPECTRUM1503927; 5-Methylisoxazole-4-(4-trifluoromethyl)carboxanilide; SPBio_002783; BPBio1_000930; GTPL6825; ZINC4840; DTXSID9023201; HMS502N18; KBio1_000916; KBio2_000802; KBio2_003370; KBio2_005938; AOB5964; NINDS_000916; 4-Isoxazolecarboxamide, 5-methyl-N-(4-(trifluoromethyl)phenyl; HMS1570K06; HMS1922M06; HMS2090O12; HMS2097K06; HMS2235C07; HMS3262A19; HMS3268D12; HMS3371F21; HMS3414P03; HMS3654F07; HMS3673M17; HMS3678N21; HMS3714K06; HMS3865I13; Pharmakon1600-01503927; ALBB-019233; BCP22241; HY-B0083; Tox21_110182; Tox21_301873; Tox21_500649; BDBM50054601; DL-433; NSC677411; NSC759864; s1247; STL426823; AKOS000265193; Tox21_110182_1; AC-6796; BCP9000846; CCG-204736; CS-1781; DB01097; KS-1076; LP00649; MCULE-9490869974; NSC 677411; NSC 759864; SB17287; SDCCGSBI-0050629.P003; IDI1_000916; NCGC00015610-01; NCGC00015610-03; NCGC00015610-04; NCGC00015610-05; NCGC00015610-06; NCGC00015610-07; NCGC00015610-08; NCGC00015610-09; NCGC00015610-10; NCGC00015610-11; NCGC00015610-12; NCGC00015610-13; NCGC00015610-14; NCGC00015610-17; NCGC00015610-18; NCGC00015610-30; NCGC00022625-03; NCGC00022625-04; NCGC00022625-05; NCGC00022625-06; NCGC00022625-07; NCGC00022625-08; NCGC00255370-01; NCGC00261334-01; BM164612; H527; Leflunomide 100 microg/mL in Acetonitrile; A9622; AB00052389; EU-0100649; FT-0621959; L0250; SW196399-3; C07905; D00749; MLS-0003109.0001; AB00052389-17; AB00052389-18; AB00052389_19; AB00052389_21; 706L126; Q248550; Q-201289; SR-01000000191-2; SR-01000000191-4; SR-01000000191-7; BRD-K78692225-001-03-9; BRD-K78692225-001-11-2; 5-methyl-4-(4-trifluoromethyl-phenyl)aminocarbonylisoxazole; 5-methyl-4-(4-trifluoromethylphenyl)aminocarbonylisoxazole; Leflunomide, European Pharmacopoeia (EP) Reference Standard; N-(4-trifluoromethylphenyl)-5-methylisoxazole-4-carboxamide; 5-Methyl-N-[4-(trifluoromethyl)-phenyl]isoxazole-4-carboxamide; 5-methylisoxazole-4-carboxylic acid (4-trifluoromethyl)-anilide; N-(4-trifluoromethylphenyl)-5-methylisoxa-zole-4-carboxamide; Isoxazole-4-carboxamide, 5-methyl-N-[4-(trifluoromethyl)phenyl]-; Leflunomide, United States Pharmacopeia (USP) Reference Standard; 5-methyl-N-(4-(trifluoromethyl)phenyl)isoxazole-4-carboxamide;Leflunomide; HWA486; RS-34821; SU101;HWA 486; RS 34821; SU 101; Leflunomide, Pharmaceutical Secondary Standard; Certified Reference Material; Leflunomide for peak identification, European Pharmacopoeia (EP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6402	DB01097	DR00130	DR0921	270.21	C12H9F3N2O2	55.1	327	2.5	19	1	6	2	"1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)"	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N
DG00552	Steroid	.	.	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00553	Pexidartinib	25151352	"Pexidartinib; 1029044-16-3; PLX3397; PLX-3397; Pexidartinib (PLX3397); Turalio; UNII-6783M2LV5X; CML-261; 5-((5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl)-N-((6-(trifluoromethyl)pyridin-3-yl)methyl)pyridin-2-amine; CHEMBL3813873; 6783M2LV5X; 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyridin-2-amine; 5-[(5-Chloro-1h-Pyrrolo[2,3-B]pyridin-3-Yl)methyl]-N-{[6-(Trifluoromethyl)pyridin-3-Yl]methyl}pyridin-2-Amine; 5-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}methyl)-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine; Pexidartinib [INN]; pexidartinibum; Pexidartinib [USAN]; Pexidartinib(PLX3397); Pexidartinib (USAN/INN); Pexidartinib [USAN:INN]; GTPL8710; SCHEMBL1267310; EX-A589; CHEBI:145373; HMS3886D19; BCP15183; PLX 3397; BDBM50177716; MFCD28900745; NSC789300; NSC793434; NSC800843; s7818; AKOS026750359; ZINC115705166; CCG-268862; DB12978; NSC-789300; NSC-793434; NSC-800843; SB19178; NCGC00480774-01; NCGC00480774-06; 3-Pyridinemethanamine, N-(5-((5-chloro-1H-pyrrolo(2,3-b)pyridin-3-yl)methyl)-2-pyridinyl)-6-(trifluoromethyl)-; AC-30300; AS-74915; DA-48267; HY-16749; B5854; FT-0699505; PLX 3397;PLX3397;PL-X3397; D11270; A856116; J-690008; Q25100640; B0084-470807; 2(S)-Amino-3-(4-{2-amino-6-[2,2,2-trifluoro-1-(3'-fluoro-biphenyl-4-yl)-ethoxy]-pyrimidin-4-yl}-phenyl)-propionic acid hydrochloride; 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridyl]methyl]pyridin-2-amine; N-[5-[(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]-6-(trifluoromethyl)-3-pyridinemethanamine; N-[5-[(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]-6-(trifluoromethyl)-3-pyridinemethanamine;Pexidartinib"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:145373	DB12978	.	DR1269	417.8	C20H15ClF3N5	66.5	537	4.5	29	2	7	5	"1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)"	C1=CC(=NC=C1CC2=CNC3=C2C=C(C=N3)Cl)NCC4=CN=C(C=C4)C(F)(F)F	JGWRKYUXBBNENE-UHFFFAOYSA-N
DG00554	Erdafitinib	67462786	"Erdafitinib; 1346242-81-6; JNJ-42756493; Balversa; UNII-890E37NHMV; 890E37NHMV; JNJ42756493; N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine; N1-(3,5-dimethoxyphenyl)-N2-isopropyl-N1-(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)ethane-1,2-diamine; Erdafitinib [USAN:INN]; Balversa (TN); Erdafitinib (USAN/INN); GTPL9039; SCHEMBL2583760; CHEMBL3545376; Erdafitinib; JNJ-42756493; JNJ-42756493 (Erdafitinib); AMY31119; BCP20346; EX-A2564; BDBM50525939; MFCD28502040; NSC781556; s8401; compound 4 [WO2011135376]; ZINC168520308; CCG-269200; CS-4988; DB12147; NSC-781556; SB16854; NCGC00475735-01; 1,2-Ethanediamine, N1-(3,5-dimethoxyphenyl)-N2-(1-methylethyl)-N1-(3-(1-methyl-1H-pyrazol-4-yl)-6-quinoxalinyl)-; AC-30222; AS-35040; HY-18708; JNJ 42756493; D10927; A857165; Q27077213; B0084-470835; 5SF; N-(3,5-dimethoxyphenyl)-N'-(1-methylethyl)-N-[3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine; N-(3,5-dimethoxyphenyl)-N'-(1-methylethyl)-N-[3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;Erdafitinib"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12147	.	DR0595	446.5	C25H30N6O2	77.3	583	3.2	33	1	7	9	"1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3"	CC(C)NCCN(C1=CC2=NC(=CN=C2C=C1)C3=CN(N=C3)C)C4=CC(=CC(=C4)OC)OC	OLAHOMJCDNXHFI-UHFFFAOYSA-N
DG00555	"8-methyl-cipro [1-cyclopropyl-6-fluoro-1,4-dihydro-8-methyl-7-(1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid]"	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00556	"8-methoxy-cipro [1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid]"	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00557	"Cipro-dione [3-amino-7-(1-piperazinyl)-1-cyclopropyl-6-fluoro-2,4(1H,3H)-quinazolinedione]"	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00558	"8-H-moxi {1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid}"	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00559	"8-methyl-moxi {1-cyclopropyl-6-fluoro-1,4-dihydro-8-methyl-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid}"	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00560	"Moxi-dione {3-amino-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,4(1H,3H)-quinazolinedione}"	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00561	"3'-(AM)P-quinolone {1-cyclopropyl-6-fluoro-1,4-dihydro-8-methyl-7-[(3S)-3-(aminomethyl)-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid}"	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00562	"3'-(AM)P-dione {3-amino-7-[(3S)-3-(aminomethyl)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methyl-2,4(1H,3H)-quinazolinedione}"	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00563	Ombitasvir	54767916	"Ombitasvir; 1258226-87-7; ABT-267; Ombitasvir(ABT-267); ABT267; CHEBI:85183; UNII-2302768XJ8; ABT 267; 2302768XJ8; L-Prolinamide, 2,2'-[[(2S,5S)-1-[4-(1,1-dimethylethyl)phenyl]-2,5-pyrrolidinediyl]di-4,1-phenylene]bis[N-(methoxycarbonyl)-L-valyl-; L-Prolinamide,2,2'-(((2S,5S)-1-(4-(1,1-dimethylethyl)phenyl)-2,5-pyrrolidinediyl)di-4,1-phenylene)bis(N-(methoxycarbonyl)-L-valyl-; dimethyl ([(2S,5S)-1-(4-tert-butylphenyl)pyrrolidine-2,5-diyl]bis{(4,1-phenylene)carbamoyl(2S)pyrrolidine-2,1-diyl[(2S)-3-methyl-1-oxobutane-1,2-diyl]})biscarbamate; methyl N-[(2S)-1-[(2S)-2-[[4-[(2S,5S)-1-(4-tert-butylphenyl)-5-[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]phenyl]pyrrolidin-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate; Ombitasvir [USAN:INN]; Ombitasvir (USAN); SCHEMBL8542284; CHEMBL3127326; GTPL11272; AMY6935; EX-A5846; BDBM50453112; s5403; ZINC150601177; CCG-270561; CS-5330; DB09296; ABT-267;ABT267;ABT 267; compound 38 [PMID: 24400777]; NCGC00510316-01; NCGC00510316-02; Carbamic acid, N,N'-(((2S,5S)-1-(4-(1,1-dimethylethyl)phenyl)-2,5-pyrrolidinediyl)bis(4,1-phenyleneiminocarbonyl-(2S)-2,1-pyrrolidinediyl((1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl)))bis-, C,C'-dimethyl ester; HY-13997; C72037; D10576; Technivie (ombitasvir + paritaprevir + ritonavir); Q19598175; ABT 267; ; ; Dimethyl ((2S,2'S)-((2S,2'S)-2,2'-(((((2S,5S)-1-(4-(tert-butyl)phenyl)pyrrolidine-2,5-diyl)bis(4,1-phenylene))bis(azanediyl))bis(carbonyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl))dicarbamate; Methyl ((S)-1-((S)-2-((4-((2S,5S)-1-(4-(tert-butyl)phenyl)-5-(4-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidine-2-carboxamido)phenyl)pyrrolidin-2-yl)phenyl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate; methyl N-[(1S)-1-[(2S)-2-[[4-[(2S,5S)-1-(4-tert-butylphenyl)-5-[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]pyrrolidin-2-yl]phenyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85183	DB09296	DR01311	DR1193	894.1	C50H67N7O8	179	1540	7.9	65	4	9	16	"1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1"	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)[C@@H]3CC[C@H](N3C4=CC=C(C=C4)C(C)(C)C)C5=CC=C(C=C5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC	PIDFDZJZLOTZTM-KHVQSSSXSA-N
DG00564	Daclatasvir	25154714	"Daclatasvir; 1009119-64-5; Daclatasvir (BMS-790052); BMS-790052; Daklinza; EBP 883; 1214735-16-6; BMS790052; BMS 790052; CHEBI:82977; methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate; UNII-LI2427F9CI; Carbamic acid, N,N'-[[1,1'-biphenyl]-4,4'-diylbis[1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl[(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis-, C,C'-dimethyl ester; C40H50N8O6; Dimethyl ((2S,2'S)-((2S,2'S)-2,2'-(5,5'-([1,1'-biphenyl]-4,4'-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl))dica; 1009119-65-6; LI2427F9CI; methyl N-[(1S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate; Daclatasvir (USAN); dimethyl (2S,2'S)-1,1'-((2S,2'S)-2,2'-(4,4'-(biphenyl-4,4'-diyl)bis(1H-imidazole-4,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl)dicarbamate; MLS006011140; EBP883; SCHEMBL2756027; CHEMBL2023898; SCHEMBL17897804; GTPL11266; EBP-883; EX-A410; AMY36655; AOB87747; dimethyl ((2S,2'S)-((2S,2'S)-2,2'-(5,5'-([1,1'-biphenyl]-4,4'-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl))dicarbamate; Dimethyl N,N'-(biphenyl-4,4'-diylbis{1H-imidazole-5,2-diyl-((2S)-pyrrolidine-2,1- diyl)((1S)-1-(1-methylethyl)-2-oxoethane-2,1-diyl)})dicarbamate; 3503AH; BDBM50387084; MFCD17129086; s1482; ZINC68204830; CA10002; CCG-270425; CS-0588; DB09102; NCGC00346533-07; NCGC00346533-09; AC-28958; AS-75298; BMS 790052; EBP 883; HY-10466; SMR004702917; SW219754-1; X7549; D10065; J-520204; Q5207712; methyl ((S)-1-((S)-2-(5-(4'-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate; methyl [(2s)-1-{(2s)-2-[4-(4'-{2-[(2s)-1-{(2s)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-2-pyrrolidinyl]-1h-imidazol-4-yl}-4-biphenylyl)-1h-imidazol-2-yl]-1-pyrrolidinyl}-3-methyl-1-oxo-2-butanyl]carbamate; methyl [(2S)-1-{(2S)-2-[4-(4'-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}biphenyl-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate; Methyl [(2S)-1-{(2S)-2-[5-(4'-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}biphenyl-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate; methyl N-[(2S)-1-[(2S)-2-[5-(4'-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate; methyl-N-[(2s)-1-[(2s)-2-[5-[4-[4-[2-[(2s)-1-[(2s)-2-(methoxycarbonylamino)-3-methylbutanoyl] pyrrolidin-2-yl]-1h-imidazol-5-yl]phenyl]phenyl]-1himidazol-2-yl]pyrrolidin-1-yl]3-methyl-1-oxobutan-2-yl]carbamate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:82977	DB09102	DR00144	.	738.9	C40H50N8O6	175	1190	5.1	54	4	8	13	"1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1"	CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC	FKRSSPOQAMALKA-CUPIEXAXSA-N
DG00565	Ledipasvir	67505836	"Ledipasvir; 1256388-51-8; GS-5885; GS5885; UNII-013TE6E4WV; Ledipasvir acetonate; GS 5885; CHEBI:85089; WHO 9796; 013TE6E4WV; methyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate; methyl [(2S)-1-{(6S)-6-[4-(9,9-difluoro-7-{2-[(1R,3S,4S)-2-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-2-azabicyclo[2.2.1]hept-3-yl]-1H-benzimidazol-5-yl}-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl}-3-methyl-1-oxobutan-2-yl]carbamate; Methyl N-[(2S)-1-[(6S)-6-[5-[9,9-Difluoro-7-[2-[(1S,2S,4R)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-3-azabicyclo[2.2.1]heptan-2-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate; Ledipasvir [USAN:INN]; Ledipasvir (USAN); SCHEMBL2706494; CHEMBL2374220; SCHEMBL15116943; GTPL11271; DTXSID90154829; EX-A411; C49H54F2N8O6; Harvoni (ledipasvir + sofosbuvir); 3774AH; BDBM50505966; MFCD25976756; ZINC150338819; CS-1653; DB09027; NCGC00378990-02; NCGC00378990-05; AC-28378; AS-56214; HY-15602; (non-Isotopelabelled)Ledipasvir-13C2, d6; D10442; Q15409409; Carbamic acid, N-((1S)-1-(((6S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((2S)-2-((methoxycarbonyl)amino)-3-methyl-1-oxobutyl)-2-azabicyclo(2.2.1)hept-3-yl)-1H-benzimidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro(2.4)hept-5-yl)carbonyl)-2-methylpropyl)-, methyl ester; Methyl ((1S)-1-((1R,3S,4S)-3-(5-(9,9-difluoro-7-(2-((6S)-5-(N-(methoxycarbonyl)- l-valyl)-5-azaspiro(2.4)hept-6-yl)-1H-imidazol-4-yl)-9H-fluoren-2-yl)-1H-benzimidazol-2-yl)-2-azabicyclo(2.2.1)heptane-2-carbonyl)-2-methylpropyl)carbamate; Methyl ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((methoxycarbonyl)-L-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2, AldrichCPR; Methyl ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((methoxycarbonyl)-L-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate; methyl N-[(1S)-1-[(5S)-5-[5-[9,9-difluoro-7-[2-[(1S,2S,4R)-3-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-3-azabicyclo[2.2.1]heptan-2-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-6-azaspiro[2.4]heptane-6-carbonyl]-2-methyl-propyl]carbamate; Methyl=[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[N-(methoxycarbonyl)-L-valyl]-2-azabicyclo[2.2.1]heptane-3-yl]-1H-benzoimidazole-6-yl]-9H-fluorene-2-yl]-1H-imidazole-2-yl]-5-azaspiro[2.4]heptane-5-yl]-3-methyl-1-oxobutane-2-yl]carbamate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85089	DB09027	DR01290	.	889	C49H54F2N8O6	175	1820	7.4	65	4	10	12	"1S/C49H54F2N8O6/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63)/t29-,30+,38-,39-,40-,41-/m0/s1"	CC(C)[C@@H](C(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)[C@@H]9[C@H]1CC[C@H](C1)N9C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC	VRTWBAAJJOHBQU-KMWAZVGDSA-N
DG00566	Elbasvir	71661251	"Elbasvir; 1370468-36-2; MK-8742; UNII-632L571YDK; MK 8742; 632L571YDK; MK8742; Methyl ((1S)-1-(((2S)-2-(4-((6S)-10-(2-((2S)-1-((2S)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)pyrrolidin-2-yl)-1H-imidazol-4-yl)-6-phenyl-6H-indolo(1,2-c)(1,3)benzoxazin-3-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)carbonyl)-2-methylpropyl)carbamate; Carbamic acid, N,N'-[[(6S)-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine-3,10-diyl]bis[1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl[(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis-, C,C'-dimethyl ester; Dimethyl ((2S,2'S)-((2S,2'S)-2,2'-(5,5'-((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl))dicarbamate; Elbasvir [USAN:INN]; Carbamic acid, N,N'-(((6S)-6-phenyl-6H-indolo(1,2-c)(1,3)benzoxazine-3,10-diyl)bis(1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl((1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl)))bis-, C,C'-dimethyl ester; MK8742; Elbasvir; Elbasvir(MK-8742); CHEMBL3039514; SCHEMBL17429773; CHEBI:132967; EX-A2889; methyl N-[(2S)-1-[(2S)-2-[5-[(6S)-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate; BDBM50531952; s5652; ZINC150588351; CCG-270552; CS-5332; DB11574; NCGC00510317-02; HY-15789; MK8742; ; ; MK-8742; A16855; Q19904043; Dimethyl N,N'-(((6S)-6-phenylindolo(1,2-c)(1,3)benzoxazine-3,10-diyl)bis(1H-imidazole-5,2-diyl-(2S)-pyrrolidine-2,1-diyl((2S)-3-methyl-1-oxobutane-1,2-diyl)))dicarbamate; METHYL ((S)-1-((S)-2-(4-((S)-10-(2-((S)-1-((METHOXYCARBONYL)-L-VALYL)PYRROLIDIN-2-YL)-1H-IMIDAZOL-5-YL)-6-PHENYL-6H-BENZO[5,6][1,3]OXAZINO[3,4-A]INDOL-3-YL)-1H-IMIDAZOL-2-YL)PYRROLIDIN-1-YL)-3-METHYL-1-OXOBUTAN-2-YL)CARBAMATE; methyl {(2S)-1-[(2S)-2-{4-[(6S)-3-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:132967	DB11574	.	DR0561	882	C49H55N9O7	189	1680	6.7	65	4	9	13	"1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)29-12-8-7-9-13-29)35-26-51-44(53-35)38-15-11-21-57(38)46(60)42(28(3)4)55-49(62)64-6/h7-9,12-13,16-19,22-28,37-38,41-42,47H,10-11,14-15,20-21H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t37-,38-,41-,42-,47-/m0/s1"	CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC4=C(C=C3)N5[C@@H](OC6=C(C5=C4)C=CC(=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)C9=CC=CC=C9)NC(=O)OC	BVAZQCUMNICBAQ-PZHYSIFUSA-N
DG00567	Velpatasvir	67683363	"Velpatasvir; 1377049-84-7; GS-5816; GS5816; UNII-KCU0C7RS7Z; KCU0C7RS7Z; GS 5816; methyl ((R)-2-((2S,4S)-2-(5-(2-((2S,5S)-1-((methoxycarbonyl)-L-valyl)-5-methylpyrrolidin-2-yl)-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-9-yl)-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidin-1-yl)-2-oxo-1-phenylethyl)carbamate; Methyl N-[(1R)-2-[(2S,4S)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate; Velpatasvir [USAN:INN]; Verpatasvir; Methyl ((2S)-1-((2S,5S)-2-(9-(2-((2S,4S)-1-((2R)-2-((methoxycarbonyl)amino)-2-phenylacetyl)-4-(methoxymethyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate; Methyl [(2S)-1-[(2S,5S)-2-[9-[2-[(2S,4S)-1-[(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl]-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate; methyl {(2S)-1-[(2S,5S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-5-yl}-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate; Velpatasvir(GS5816); Velpatasvir; GS-5816; Velpatasvir (JAN/USAN/INN); SCHEMBL8756902; CHEMBL3545062; SCHEMBL19236068; GTPL11269; AMY4211; CHEBI:133009; Epclusa (sofosbuvir + velpatasvir); BCP13813; EX-A2320; BDBM50521720; MFCD28411371; s3724; ZINC203686879; CCG-270553; CS-5977; DB11613; NCGC00522503-01; NCGC00522503-02; AC-28744; AS-35237; HY-12530; FT-0700879; J3.631.686A; D10806; GS-5816;GS5816;GS 5816; Vosevi (sofosbuvir + velpatasvir + voxilaprevi); A886410; Q25018296; Carbamic acid, N-[(1R)-2-[(2S,4S)-2-[5-[1,11-dihydro-2-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-5-methyl-2-pyrrolidinyl][2]benzopyrano[4,3:6,7]naphth[1,2-d]imidazol-9-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)-1-pyrrolidinyl]-2-oxo-1-phenylethyl]-, methyl ester; methyl {(2S)-1-[(2S,5S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-4-yl}-1,11-dihydro[2]benzopyrano[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate; methyl N-[(1R)-2-[(2S,4S)-2-(5-{6-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.0 ,  .0 , .0  ,  ]henicosa-1,3,6,8,10,12,14,16,18-nonaen-17-yl}-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate; methyl N-[(1R)-2-[(2S,4S)-2-(5-{6-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.0 , .01 ,1 ]henicosa-1,3,6,8,10,12,14,16,18-nonaen-17-yl}-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate; methyl{(2S)-1-[(2S,5S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-5-yl}-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:133009	DB11613	DR01314	DR1676	883	C49H54N8O8	193	1690	6.2	65	4	10	13	"1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1"	C[C@H]1CC[C@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)[C@@H]8C[C@@H](CN8C(=O)[C@@H](C9=CC=CC=C9)NC(=O)OC)COC	FHCUMDQMBHQXKK-CDIODLITSA-N
DG00568	Pibrentasvir	58031952	"Pibrentasvir; 1353900-92-1; ABT-530; ABT 530; UNII-2WU922TK3L; A-1325912.0; 2WU922TK3L; 1353900-92-1 (free); dimethyl ((2S,2'S,3R,3'R)-((2S,2'S)-(((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(6-fluoro-1H-benzo[d]imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methoxy-1-oxobutane-1,2-diyl))dicarbamate; methyl N-[(2S,3R)-1-[(2S)-2-[6-[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]-5-[6-fluoro-2-[(2S)-1-[(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate; Pibrentasvir [USAN]; ABT-530;Pibrentasvir; Pibrentasvir(ABT-530); Pibrentasvir (ABT-530); Pibrentasvir (JAN/USAN/INN); SCHEMBL2756579; CHEMBL3545123; SCHEMBL17639956; GTPL11268; EX-A865; C57H65F5N10O8; BDBM50453100; s9641; CS-8135; DB13878; AC-33418; BS-15250; Dimethyl N,N'-(((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis((6-fluoro-1H-benzimidazole-5,2-diyl)((2S)-pyrrolidine-2,1-diyl)((2S,3R)-3-methoxy-1-oxobutane-1,2-diyl)))biscarbamate; J3.646.121G; D10816; J-690144; Q47495788; A 1325912.0; Carbamic acid, N,N'-(((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)-1-piperidinyl)phenyl)-2,5-pyrrolidinediyl)bis((6-fluoro-1H-benzimidazole-5,2-diyl)-(2S)-2,1-pyrrolidinediyl((1S)-1-((1R)-1-methoxyethyl)-2-oxo-2,1-ethanediyl)))bis-, C,C'-dimethyl ester; Methyl ((2S,3R)-1-((2S)-2-(5-((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)-5-(6-fluoro-2-((2S)-1-(N-(methoxycarbonyl)-O-methyl-L-threonyl)pyrrolidin-2-yl)-1H-benzimidazol-5-yl)pyrrolidin-2-yl)-6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl)-3-methoxy-1-oxobutan-2-yl)carbamate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB13878	DR01291	.	1113.2	C57H65F5N10O8	200	2000	7.4	80	4	17	17	"1S/C57H65F5N10O8/c1-29(77-3)49(67-56(75)79-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(2)78-4)68-57(76)80-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t29-,30-,45-,46-,47+,48+,49+,50+/m1/s1"	C[C@H]([C@@H](C(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C(=C3)F)[C@H]4CC[C@@H](N4C5=CC(=C(C(=C5)F)N6CCC(CC6)C7=CC=C(C=C7)F)F)C8=CC9=C(C=C8F)N=C(N9)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)OC)NC(=O)OC)NC(=O)OC)OC	VJYSBPDEJWLKKJ-NLIMODCCSA-N
DG00569	Cefozopran	9571080	"Cefozopran; CZOP; 113359-04-9; Cefozopran [INN]; SCE 2787; cefozopranum; UNII-1LG87K28LW; Cefozopran (INN); 1LG87K28LW; CHEBI:3502; Imidazo[1,2-b]pyridazinium,1-[[(6R,7R)-7-[[(2Z)-(5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, inner salt; CCRIS 6737; C19H17N9O5S2; SCHEMBL49106; (-)-1-(((6R,7R)-7-(2-(5-Amino-1,2,4-thiadiazol-3-yl)glyoxylamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1H-imidazo(1,2-b)pyridazin-4-ium hydroxide inner salt, 7(sup 2)-(Z)-(O-methyloxime); Imidazo(1,2-b)pyridazinium, 1-((6R,7R)-7-(((2Z)-(5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, inner salt; CHEMBL1276663; (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; HY-B0771; AKOS015896118; DB13667; H710; Imidazo(1,2-b)pyridazinium, 1-((7-(((5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, inner salt, (6R-(6alpha,7beta(Z)))-; D01052; J-504081; (6R,7R)-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetyl]amino}-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 1-[[(6R,7R)-7-[[(2Z)-(5-Amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3 -yl]methyl]-imidazo[1,2-B]pyridazinium hydroxide inner salt; 7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-3,4-didehydrocepham-4-carboxylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3502	.	.	.	515.5	C19H17N9O5S2	238	960	0.7	35	2	12	6	"1S/C19H17N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32)/b24-11-/t12-,17-/m1/s1"	CO/N=C(/C1=NSC(=N1)N)\\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC=NN5C=C4)C(=O)[O-]	QDUIJCOKQCCXQY-WHJQOFBOSA-N
DG00570	Flomoxef	65864	"Flomoxef; 99665-00-6; Flomoxefum; FMOX; Flomoxef [INN]; UNII-V9E5U5XF42; V9E5U5XF42; Flomoxef (INN); flomoxef sodium; (6R,7R)-7-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; Flomoxefo; 5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[(difluoromethyl)thio]acetyl]amino]-3-[[[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]thio]methyl]-7-methoxy-8-oxo-, (6r-cis)-; 5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[[(difluoromethyl)thio]acetyl]amino]-3-[[[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]thio]methyl]-7-methoxy-8-oxo-, (6R,7R)-; Flomoxefum [Latin]; Flomoxefo [Spanish]; C15H18F2N6O7S2; NCGC00182999-01; SCHEMBL49438; CHEMBL15413; CHEBI:135813; BCP20920; HY-B0706; ZINC3874302; AKOS015896442; DB11935; AC-15832; K789; CS-0009596; D07963; 665F006; A846063; Q5459999; (-)-(6R,7R)-7-(2-((Difluoromethyl)thio)acetamido)-3-(((1-(2-hydroxyethyl)-1H-tetrazol-5-yl)thio)methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[2-(difluoromethylthio)-1-oxoethyl]amino]-3-[[[1-(2-hydroxyethyl)-5-tetrazolyl]thio]methyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[2-[bis(fluoranyl)methylsulfanyl]ethanoylamino]-3-[[1-(2-hydroxyethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxidanylidene-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{2-[(difluoromethyl)sulfanyl]acetamido}-3-({[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (7R)-7-(2-(difluoromethylthio)acetamido)-3-((1-(2-hydroxyethyl)-1H-tetrazol-5-ylthio)methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	Investigative	1	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB11935	.	.	496.5	C15H18F2N6O7S2	220	793	-1.3	32	3	14	11	"1S/C15H18F2N6O7S2/c1-29-15(18-8(25)6-31-13(16)17)11(28)23-9(10(26)27)7(4-30-12(15)23)5-32-14-19-20-21-22(14)2-3-24/h12-13,24H,2-6H2,1H3,(H,18,25)(H,26,27)/t12-,15+/m1/s1"	CO[C@@]1([C@@H]2N(C1=O)C(=C(CO2)CSC3=NN=NN3CCO)C(=O)O)NC(=O)CSC(F)F	UHRBTBZOWWGKMK-DOMZBBRYSA-N
DG00571	Intravenous immunoglobulin	.	.	Approved	1	Approved Drug(s)	Approved	Biotech	.	.	DB00028	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00572	Amphotericin B	5280965	"Amphotericin b; 1397-89-3; Amphotericin; Amphotericine B; Fungizone; Amfotericina B; Amphotericinum B; AMPH-B; Liposomal Amphotericin B; Amphotericin-B; Abelcet; Ambisome; Fungilin; Ampho-Moronal; UNII-7XU7A7DROE; Amphotec; Halizon; MFCD00877763; 7XU7A7DROE; NSC 527017; NCGC00090808-01; Abelecet; C47H73NO17; DSSTox_CID_2601; DSSTox_RID_76653; DSSTox_GSID_22601; (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid; Amphotericin B trihydrate; Amphortericin B; Anfotericine B; (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-(((2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid; IAB; Fungisome; Amfotericina B [INN-Spanish]; Amphotericine B [INN-French]; Amphotericinum B [INN-Latin]; CCRIS 5963; HSDB 3008; Amphotericin B [USP:INN:JAN]; Fungizone (TN); Amphotec (TN); (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid; AmBisome (TN); Amp B; CAS-1397-89-3; EINECS 215-742-2; NS 718; BRN 0078342; AI3-26528; Prestwick3_000410; Amphotericin B (85%); Amphotericin B solubilized; SCHEMBL17973; BSPBio_000340; 5-18-10-00525 (Beilstein Handbook Reference); BIDD:GT0351; BPBio1_000374; NKTR-024; Amphotericin B and cinnamon oil; DTXSID9022601; HMS2096A22; HMS3713A22; Amphotericin B (JP17/USP/INN); HY-B0221; Amphotericin B, Streptomyces nodosus; Tox21_111027; Tox21_202484; Amphotericin B from Streptomyces sp.; LMPK06000002; s1636; AKOS024464746; ZINC253387843; CCG-220410; DB00681; NCGC00260033-01; (1R-(1R*,3S*,5R*,6R*,9R*,11R*,15S*,16R*,17R*,18S*,19E,21E,23E,25E,27E,29E,31E,33R*,35S*,36R*,37S*))-33-((3-Amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy)-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo(33.3.1)nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid; 14,39-Dioxabicyclo(33.3.1)nonatriaconta-19,21,23,25,2 7,29,31-heptaene-36-carboxylic acid, 33-((3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy)-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-(1R-(1R*,3S*,5R*,6R*,9R*,11R*,15S*,16R*,17R*,18S*,19E,21E,23E, 25E-27E,29E,31E,33R*,35S*,36R*,37S*))-; AB00513832; C06573; D00203; J10140; AB00513832_02; 397A893; Q412223; 1397-89-3, C47H73NO17; Amphotericin B from Streptomyces sp., ~80% (HPLC), powder; Amphotericin B from Streptomyces sp., BioReagent, suitable for cell culture, ~80% (HPLC); Amphotericin B solubilized, powder, gamma-irradiated, BioXtra, suitable for cell culture; (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,; (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid; (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-Amino-3,6-dideoxy- -D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid; (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-he; (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-hept; (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,33R,35S,36R,37S)-33-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carbo; (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-; 23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid; Amphotericin B from Streptomyces sp., Vetec(TM) reagent grade, BioReagent, suitable for cell culture, ~80%; Amphotericin B solution, 250 mug/mL in deionized water, sterile-filtered, BioReagent, suitable for cell culture"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00681	DR01468	DR2632	924.1	C47H73NO17	320	1670	0	65	12	18	3	"1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1"	C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O	APKFDSVGJQXUKY-INPOYWNPSA-N
DG00573	Ivermectin	6321424	"IVERMECTIN; Ivermectin B1a; 70288-86-7; Dihydroavermectin B1a; 22,23-Dihydroavermectin B1a; avermectin H2B1a; 71827-03-7; UNII-91Y2202OUW; 70161-11-4; Ivermectin Component B1a; CHEBI:63941; 91Y2202OUW; (2ae,4e,5's,6s,6'r,7s,8e,11r,13r,15s,17ar,20r,20ar,20bs)-6'-[(2s)-Butan-2-Yl]-20,20b-Dihydroxy-5',6,8,19-Tetramethyl-17-Oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-Tetradecahydro-2h,7h-Spiro[11,15-Methanofuro[4,3,2-Pq][2,6]benzodioxacyclooctadecine-13,2'-Pyran]-7-Yl 2,6-Dideoxy-4-O-(2,6-Dideoxy-3-O-Methyl-Alpha-L-Arabino-Hexopyranosyl)-3-O-Methyl-Alpha-L-Arabino-Hexopyranoside; 5-O-demethyl-22,23-dihydroavermectin A1a; MK-933; (1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one; C48H74O14 (B1a form); Ivermectin B1a-d2; C48H74O14; 22,23-Dihydroavermectin B(1)a; NCGC00163233-01; Ivermectin (IVM); IVM; EINECS 276-046-2; dihydro avermectin Bla; BRN 4643153; 22,23-Dihydro-5-O-demethylavermectin A1a; H2B1a; Prestwick3_000156; DSSTox_CID_3181; Ivermectin (MK-0933); DSSTox_RID_76909; DSSTox_GSID_23181; BSPBio_000292; SCHEMBL312795; BPBio1_000322; CHEMBL263291; DTXSID8023181; CHEBI:94551; HMS2089M09; HMS2095O14; HMS3712O14; WCA82703; Tox21_112034; BDBM50409816; MFCD00869511; s1351; AKOS027470116; ZINC238808778; ZINC252286706; AC-6014; CCG-220156; NCGC00186639-01; NCGC00186639-03; AS-14167; BI166167; CAS-71827-03-7; HY-126937; AB00513813; CS-0108408; J10179; 22,23-DIHYDROAVERMECTIN B1A; IVERMECTIN; AB00513813-02; AB00513813-03; AB00513813_04; Avermectin A1a, 22,23-dihydro-5-O-demethyl-; 288I867; Ivermectin, Antibiotic for Culture Media Use Only; Q-201262; BRD-K24652731-001-02-7; BRD-K85554912-001-08-9; Q27132923; Ivermectin, British Pharmacopoeia (BP) Reference Standard; Ivermectin, European Pharmacopoeia (EP) Reference Standard; UNII-8883YP2R6D component AZSNMRSAGSSBNP-XPNPUAGNSA-N; Ivermectin, United States Pharmacopeia (USP) Reference Standard; Ivermectin, Pharmaceutical Secondary Standard; Certified Reference Material; (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17; 22,23-Dihydroavermectin B1; ; ; Heartgard 30; ; ; Ivomec; ; ; Ivosint; ; ; Mectizan; ; ; Stromectol; ; ; Uvemec; ; ; Vermic; ; ; Zimecterin; clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63941	DB00602	DR00147	DR0899	875.1	C48H74O14	170	1680	4.1	62	3	14	8	"1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1"	CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\\C)C	AZSNMRSAGSSBNP-XPNPUAGNSA-N
DG00574	Levedopa	6047	"Levodopa; L-dopa; 59-92-7; 3,4-dihydroxy-L-phenylalanine; 3-Hydroxy-L-tyrosine; Dopar; Bendopa; Larodopa; Levopa; Brocadopa; Cidandopa; Insulamina; Maipedopa; Dopaidan; Dopalina; Dopasol; Eldopal; Eldopar; Pardopa; Prodopa; Syndopa; 3-(3,4-Dihydroxyphenyl)-L-alanine; 3,4-Dihydroxyphenylalanine; (-)-Dopa; Dihydroxy-L-phenylalanine; Helfo-Dopa; Dopaflex; Deadopa; Dopal-fher; Doparkine; Dopaston; Dopastral; Eldopatec; Eurodopa; Doparl; Doprin; Veldopa; (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; L-3,4-Dihydroxyphenylalanine; Levedopa; Levodopum; L-o-Hydroxytyrosine; Dopa; Ledopa; (-)-3-(3,4-Dihydroxyphenyl)-L-alanine; L-Tyrosine, 3-hydroxy-; 3,4-Dihydroxyphenyl-L-alanine; Dopaston SE; beta-(3,4-Dihydroxyphenyl)-L-alanine; L-(o-Dihydroxyphenyl)alanine; L-(-)-Dopa; L-3-Hydroxytyrosine; L-beta-(3,4-Dihydroxyphenyl)alanine; Weldopa; Parda; L-Dihydroxyphenylalanine; L-3-(3,4-Dihydroxyphenyl)alanine; C9H11NO4; Ro 4-6316; beta-(3,4-Dihydroxyphenyl)alanine; (S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; alanine, 3-(3,4-dihydroxyphenyl)-, L-; component of Sinemet; Dopar (TN); CHEBI:15765; CVT-301; beta-(3,4-Dihydroxyphenyl)-alpha-L-alanine; L-beta-(3,4-Dihydroxyphenyl)-alpha-alanine; UNII-46627O600J; Alanine, 3-(3,4-dihydroxyphenyl)-, (-)-; L(-)-Dopa; (-)-(3,4-Dihydroxyphenyl)alanine; dihydroxyphenylalanine; MFCD00002598; L-3,4-Dihydrophenylalanine; L-.beta.-(3,4-Dihydroxyphenyl)alanine; CHEMBL1009; .beta.-(3,4-Dihydroxyphenyl)-L-alanine; L-(3,4-Dihydroxyphenyl)alanine; L-Tyrosine, 3-hydroxy-, homopolymer; NSC118381; .beta.-(3,4-Dihydroxyphenyl)alanine; NSC-118381; CAS-59-92-7; NCGC00016270-04; Biodopa; Cerepap; Laradopa; Sobiodopa; L-(3,4-Dihydroxyphenyl)-.alpha.-alanine; 46627O600J; Helfo DOPA; beta-(3,4-Dihydroxyphenyl)-alpha-alanine; Atamet; Levodopum [INN-Latin]; BDBM50130192; L-O-Dihydroxyphenylalanine; L Dopa; 65170-01-6; CCRIS 3766; HSDB 3348; WLN: QVYZ1R CQ DQ; 3,4-Dihydroxyphenylalanine (VAN); SR-01000075384; EINECS 200-445-2; NSC 118381; Dopastone; Dopicar; Inbrija; Prolopa; (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate; Prestwick_185; Levodopa (Sinemet); L-DOPA; Levodopa; Madopa (Salt/Mix); Levodopa [USAN:USP:INN:BAN:JAN]; Spectrum_000454; 4-dihydroxyphenylalanine; Carbidopa EP Impurity A; Prestwick0_000017; Prestwick1_000017; Prestwick2_000017; Prestwick3_000017; Spectrum2_000496; Spectrum4_000539; Spectrum5_001899; Lopac-D-9628; Levodopa (JP15/USP); DSSTox_CID_3209; bmse000322; Epitope ID:150927; 3, 4-Dihydroxyphenylalanine; Alanine,4-dihydroxyphenyl)-; DSSTox_RID_76926; DSSTox_GSID_23209; Lopac0_000454; SCHEMBL22655; BSPBio_000053; BSPBio_002354; KBioGR_001177; KBioSS_000934; L-4-5-Dihydroxyphenylalanine; MLS000028514; BIDD:GT0158; DivK1c_000452; SPECTRUM2300205; Levodopa (JP17/USP/INN); SPBio_000391; SPBio_001974; BPBio1_000059; GTPL3639; b-(3,4-Dihydroxyphenyl)alanine; DTXSID9023209; WLN: QVYZ1R CQ DQ -L; 3, 4-Dihydroxy-L-phenylalanine; BDBM60928; HMS501G14; KBio1_000452; KBio2_000934; KBio2_003502; KBio2_006070; Alanine,4-dihydroxyphenyl)-, L-; L-(3, 4-Dihydroxyphenyl)alanine; NINDS_000452; 3-Ethoxy-4-fluorophenylboronicacid; HMS1568C15; HMS1922J14; HMS2090O08; HMS2093N04; HMS2095C15; HMS2230B04; HMS3261K10; HMS3712C15; Pharmakon1600-02300205; ZINC895199; H-Phe{3,4-(OH)2}-OH; HY-N0304; Levodopa;3,4-Dihydroxyphenylalanine; b-(3,4-Dihydroxyphenyl)-L-alanine; Inbrija (levodopa inhalation powder); Tox21_110338; Tox21_500454; CCG-39571; L-3-(3,4-dihydroxy-phenyl)alanine; L-3-(3,4-dihydroxyphenyl)-Alanine; NSC759573; PDSP1_001541; PDSP2_001525; s1726; Alanine, 3-(3,4-dihydroxyphenyl)-; Alanine,4-dihydroxyphenyl)-, (-)-; AKOS010396267; b-(3,4-Dihydroxyphenyl)-a-L-alanine; L-b-(3,4-Dihydroxyphenyl)-a-alanine; .beta.-(3, 4-Dihydroxyphenyl)alanine; AC-8432; AM82124; CS-1945; DB01235; LP00454; MCULE-4743781842; NSC-759573; SDCCGMLS-0066924.P001; SDCCGSBI-0050439.P004; IDI1_000452; NCGC00015384-01; NCGC00016270-01; NCGC00016270-06; NCGC00016270-07; NCGC00016270-09; NCGC00016270-10; NCGC00016270-22; NCGC00093869-04; NCGC00261139-01; AS-13287; BP-12850; H813; SMR000058312; SBI-0050439.P003; L-(3, 4-Dihydroxyphenyl)-.alpha.-alanine; D0600; D9628; EU-0100454; N1648; 59L927; Alanine, 3-(3, 4-dihydroxyphenyl)-, (-)-; C00355; D 9628; D00059; D70595; J10404; V-1512; 3,4-Dihydroxy-L-phenylalanine, >=98% (TLC); AB00052418-06; AB00052418-07; AB00052418_08; AB00052418_09; A832543; Q300989; Q-201294; SR-01000075384-1; SR-01000075384-4; SR-01000075384-6; SR-01000075384-7; (S)-2-Amino-3-(3,4-dihydroxy-phenyl)-propionic acid; F0347-4695; Levodopa, British Pharmacopoeia (BP) Reference Standard; Levodopa, European Pharmacopoeia (EP) Reference Standard; Z1762772338; (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acidL-dopa; UNII-QI9C343R60 component WTDRDQBEARUVNC-LURJTMIESA-N; 1E83F927-C221-46AA-B90A-81B33C5F3868; 3,4-Dihydroxy-L-phenylalanine, Vetec(TM) reagent grade, 98%; Levodopa, United States Pharmacopeia (USP) Reference Standard; 3,4-Dihydroxy-L-phenylalanine, certified reference material, TraceCERT(R); Levodopa, Pharmaceutical Secondary Standard; Certified Reference Material; 122769-74-8; L-Methyldopa ; (2S)-2-Amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid; 3-(3,4-Dihydroxyphenyl)- -methyl-L-alanine; 3-Hydroxy-a-methyl-L-tyrosine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01235	DR00125	DR0939	197.19	C9H11NO4	104	209	-2.7	14	4	5	3	"1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1"	C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O	WTDRDQBEARUVNC-LURJTMIESA-N
DG00575	Metronidazole	4173	"Metronidazole; 443-48-1; Flagyl; Metronidazol; 2-Methyl-5-nitroimidazole-1-ethanol; Anagiardil; Gineflavir; Trichazol; MetroGel; Bayer 5360; Deflamon; Meronidal; Metronidaz; Novonidazol; Trichopol; Trivazol; Danizol; Mexibol; Orvagil; Vagilen; Clont; Flagemona; Giatricol; Metronidazolo; Sanatrichom; Takimetol; Trichocide; Trichomol; Trikacide; Acromona; Atrivyl; Efloran; Entizol; Flagesol; Monagyl; Monasin; Trichex; Tricocet; Trikamon; Trikojol; Trikozol; Trimeks; Vagimid; Vertisal; Wagitran; Arilin; Bexon; Elyzol; Eumin; Flagil; Klion; Klont; Nalox; Tricom; 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethanol; neo-Tric; Tricowas B; Deflamon-wirkstoff; Protostat; Satric; MetroCream; MetroLotion; MetroGel-Vaginal; CONT; NIDA; Methronidazole; Metromidol; Trichopal; Flegyl; Fossyol; 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-; Flagyl Er; Metronidazolum; Metro I.V.; Metrolyl; 2-(2-methyl-5-nitroimidazol-1-yl)ethanol; Metric 21; Trichomonacid 'pharmachim'; 1-(2-Hydroxyethyl)-2-methyl-5-nitroimidazole; RP 8823; NSC-50364; Metronidazole in Plastic Container; 2-Methyl-1-(2-hydroxyethyl)-5-nitroimidazole; 2-Methyl-3-(2-hydroxyethyl)-4-nitroimidazole; SC 10295; 1-(beta-Ethylol)-2-methyl-5-nitro-3-azapyrrole; 1-(2-Hydroxy-1-ethyl)-2-methyl-5-nitroimidazole; 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethan-1-ol; 2-(2-methyl-5-nitro-1-imidazolyl)ethanol; MFCD00009750; 1-(beta-Hydroxyethyl)-2-methyl-5-nitroimidazole; 1-Hydroxyethyl-2-methyl-5-nitroimidazole; Imidazole-1-ethanol, 2-methyl-5-nitro-; FLAGYL I.V. RTU IN PLASTIC CONTAINER; 1-(beta-Oxyethyl)-2-methyl-5-nitroimidazole; NSC 50364; UNII-140QMO216E; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol; BAY-5360; NSC69587; Noritate; MLS000028590; CHEBI:6909; 140QMO216E; Metro Gel; NSC50364; NSC-69587; NCGC00016446-06; CAS-443-48-1; Metrolag; Metrotop; Rathimed; SMR000058175; Vandazole; Zadstat; Tricho cordes; DSSTox_CID_892; Metronidazolo [DCIT]; Tricho-gynaedron; DSSTox_RID_75848; DSSTox_GSID_20892; Mexibol 'silanes'; Metro I.V. In Plastic Container; 1-(.beta.-Ethylol)-2-methyl-5-nitro-3-azapyrrole; 1-(.beta.-Hydroxyethyl)-2-methyl-5-nitroimidazole; Metronidazol [INN-Spanish]; Metronidazolum [INN-Latin]; Flagyl I.V. RTU; Flagyl 375; Trichobrol; Florazole; Mepagyl; Nidagyl; Rosased; Zidoval; Caswell No. 579AA; WLN: T5N CNJ A2Q B1 ENW; Noritate (TN); CCRIS 410; Metro cream & gel; Flagyl (TN); HSDB 3129; WLN: T6NTJ DQ ANU1- ET5N CNJ A1 BNW; SR-01000000244; EINECS 207-136-1; NSC 69587; EPA Pesticide Chemical Code 120401; BRN 0611683; Polibiotic; Trikhopol; Donnan; Flazol; CB-01-14 MMX; Metro IV; Vandazole (TN); Metronidazole,(S); Prestwick_334; Nuvessa (TN); IDR-90105; Cimetrol 500LPCI; Metronidazole solution; RP-8823; Metronidazole, BioXtra; Metronidazole (Flagyl); Spectrum_001035; Metronidazole [USAN:USP:INN:BAN:JAN]; HELIDAC (Salt/Mix); 2-(2-methyl-5-nitroimidazolyl)ethan-1-ol; Maybridge1_001999; Opera_ID_1585; Prestwick0_000081; Prestwick1_000081; Prestwick2_000081; Prestwick3_000081; Spectrum2_000883; Spectrum3_000506; Spectrum4_000060; Spectrum5_001289; M0924; CHEMBL137; NCIOpen2_000337; SCHEMBL23042; BSPBio_000002; BSPBio_002031; KBioGR_000559; KBioSS_001515; 5-23-05-00063 (Beilstein Handbook Reference); MLS000758286; MLS001424018; BIDD:GT0107; DivK1c_000007; SPECTRUM1500412; SPBio_000666; SPBio_001941; BAYER-5360; BPBio1_000004; DTXSID2020892; Flagyl I.V. RTU (Salt/Mix); BCBcMAP01_000184; GTPL10914; HMS500A09; HMS547C19; KBio1_000007; KBio2_001515; KBio2_004083; KBio2_006651; KBio3_001531; Metronidazole (JP17/USP/INN); Metronidazole, analytical standard; NINDS_000007; HMS1568A04; HMS1920N19; HMS2051G07; HMS2090B19; HMS2091F14; HMS2095A04; HMS2231E11; HMS3373O05; HMS3393G07; HMS3655E22; HMS3712A04; Pharmakon1600-01500412; ZINC113442; BCP13757; HY-B0318; Tox21_110441; Tox21_202413; Tox21_302794; BBL005452; BDBM50375309; CCG-40016; FP-250; NSC757118; s1907; STK177359; Metronidazole 2.0 mg/ml in Methanol; AKOS000269646; AKOS005169650; Tox21_110441_1; DB00916; KS-5140; MCULE-6891596695; NC00020; NSC-757118; IDI1_000007; SMP1_000189; NCGC00016446-01; NCGC00016446-02; NCGC00016446-03; NCGC00016446-04; NCGC00016446-05; NCGC00016446-07; NCGC00016446-08; NCGC00016446-09; NCGC00016446-11; NCGC00016446-12; NCGC00016446-17; NCGC00022059-03; NCGC00022059-04; NCGC00022059-05; NCGC00256513-01; NCGC00259962-01; AC-23968; SY002821; SBI-0051447.P003; DB-051212; Metronidazole, SAJ first grade, >=99.0%; AB00052046; BB 0218386; FT-0603394; SW196613-4; C07203; D00409; AB00052046-17; AB00052046_18; AB00052046_19; A826552; Metronidazole, VETRANAL(TM), analytical standard; Q169569; 2-(2-methyl-5-nitro-1H-imidazol-1-yl)-1-ethanol; 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethanol #; Metronidazole, Antibiotic for Culture Media Use Only; Q-201403; SR-01000000244-4; SR-01000000244-5; BRD-K52020312-001-05-2; BRD-K52020312-001-15-1; Z87001124; F1773-0073; Metronidazole, certified reference material, TraceCERT(R); Metronidazole, British Pharmacopoeia (BP) Reference Standard; Metronidazole, European Pharmacopoeia (EP) Reference Standard; Metronidazole, United States Pharmacopeia (USP) Reference Standard; Metronidazole solution, 2.0 mg/mL in methanol, ampule of 1 mL, certified reference material; Metronidazole, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6909	DB00916	.	DR1073	171.15	C6H9N3O3	83.9	170	0	12	1	4	2	"1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3"	CC1=NC=C(N1CCO)[N+](=O)[O-]	VAOCPAMSLUNLGC-UHFFFAOYSA-N
DG00576	Amprenavir	65016	"Amprenavir; 161814-49-9; Agenerase; Prozei; VX-478; 141W94; Amprenavir (agenerase); KVX-478; VX 478; UNII-5S0W860XNR; CHEBI:40050; (3S)-Tetrahydro-3-furanyl ((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamate; 5S0W860XNR; Vertex VX478; AMV; Carbamic acid, ((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-, (3S)-tetrahydro-3-furanyl ester; 141 W94; (3S)-oxolan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)(4-aminobenzene)sulfonamido]-1-phenylbutan-2-yl]carbamate; [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate; {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER; DRG-0258; Agenerase (TM); Agenerase (TN); (S)-tetrahydrofuran-3-yl (2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate; [(3S)-tetrahydrofuran-3-yl] N-[(1S,2R)-3-[(4-aminophenyl)sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]carbamate; GNA & Amprenavir; HHA & Amprenavir; HSDB 7157; Amprenavir (JAN/USAN/INN); Amprenavir [USAN:INN:BAN]; Tetrahydro-3-furyl N-(3-(4-amino-N-isobutylbenzenesulfonamido)-1-benzyl-2-hydroxypropyl)carbamate; 1hpv; 3ekp; 3ekv; 3nuj; 3nuo; VX478; NCGC00159461-02; (3S-(3R*(1R*,2S*)))-(3-(((4-Aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl) tetrahydro-3-furanyl carbamate; 1t7j; 3nu3; 3nu4; 3nu5; 3nu6; 3nu9; 3sm2; APV & AAG; APV & HSA; CHEMBL116; SCHEMBL34151; (3S)-Tetrahydro-3-furyl ((alphaS)-alpha-((1R-1-hydroxy-2-(N(sup 1)-isobutylsulfanilamido)ethyl)phenethyl)carbamate; MLS006011492; BIDD:GT0398; Amprenavir & human serum albumin; J05AE05; 3s43; 3s45; HMS2090N10; ZINC3809192; BDBM50215393; MFCD00934214; s1639; Amprenavir & alpha1-acid glycoprotein; AKOS000280844; AM84544; BCP9000297; CCG-269742; CS-1410; DB00701; MCULE-8147835017; NCGC00159461-07; NCGC00159461-08; (3S)-oxolan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)4-aminobenzenesulfonamido]-1-phenylbutan-2-yl]carbamate; 4-Amino-N-((2 syn,3S)-2-hydroxy-4-phenyl-3-((S)-tetrahydrofuran-3-yloxycarbonylamino)-butyl)-N-isobutyl-benzenesulfonamide; Amprenavir 100 microg/mL in Acetonitrile; AS-30915; Carbamic acid, ((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-, (3S)-tetrahydro-3-furanyl ester & Galanthus nivalis agglutinin (GNA); Carbamic acid, (3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-, tetrahydro-3-furanyl ester, (3S-(3R*(1S*,2R*)))-; Carbamic acid, N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3S)-tetrahydro-3-furanyl ester; HY-17430; SMR003885056; BCP0726000051; SW219687-1; C08086; D00894; AB01275534-01; AB01275534_02; 814A499; A810295; Q422198; SR-05000001530; SR-05000001530-1; Z1557399789; (3S)-tetrahydrofuran-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-1-benzyl-2-hydroxypropyl]carbamate; (3S)-tetrahydrofuran-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate; [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate; Carbamic acid, ((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-, (3S)-tetrahydro-3-furanyl ester & Hippeastrum hybrid agglutinin( HHA); Carbamic acid,[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-,(3S)-tetrahydro-3-furanyl ester; N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid [(3S)-3-oxolanyl] ester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:40050	DB00701	DR00584	DR0107	505.6	C25H35N3O6S	140	745	2.9	35	3	8	12	"1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1"	CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N	YMARZQAQMVYCKC-OEMFJLHTSA-N
DG00577	Ritonavir	392622	"Ritonavir; 155213-67-5; Norvir; ABT-538; Abbott 84538; A-84538; ABBOTT-84538; ABT 538; RTV; UNII-O3J8G9O825; CHEBI:45409; 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate; O3J8G9O825; MFCD00927142; NSC693184; NSC-693184; 2,7,10,12-Tetraazatridecanoic acid, 4-hydroxy-12-methyl-9-(1-methylethyl)-13-[2-(1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S,4S,6S,9S)-; thiazol-5-ylmethyl ((2S,3S,5S)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-1,6-diphenylhexan-2-yl)carbamate; NCGC00159462-02; NCGC00183130-01; Norvir Softgel; DSSTox_CID_28553; DSSTox_RID_82825; DSSTox_GSID_48627; N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide; RIT; ABT538; DRG-0244; 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-; SMR000466395; thiazol-5-ylmethyl (2S,3S,5S)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-1,6-diphenylhexan-2-ylcarbamate; thiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate; Norvir (TM); Norvir (TN); CAS-155213-67-5; HSDB 7160; 1,3-Thiazol-5-ylmethyl N-[(2S,3S,5R)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenyl-hexan-2-yl]carbamate; Ritonavirum; TMC 114r; Empetus; Ritomune; Ritovir; Viekirax; Viriton; 1hxw; 3prs; 3tne; 4eyr; Ritonavir [USAN:USP:INN:BAN]; Ritonavir- Bio-X; 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-thiazolyl]-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, [5S-(5R*,8R*,10R*,11R*)]-; Ritonavir & PLGA; 5-Thiazolylmethyl ((alphaS)-alpha-((1S,3S-1-hydroxy-3-((2S)-2-(3-((2-isopropyl-4-thiazolyl)methyl)-3-methylureido)-3-methylbutyramido)-4-phenylbutyl)phenethyl)carbamate; 1sh9; Abbot 84538; CHEMBL163; SCHEMBL6679; Ritonavir (JAN/USP/INN); BIDD:PXR0023; 5-Thiazolylmethyl ((alphaS)-alpha-((1S,3S)-1-hydroxy-3-((2S)-2-(3-((2-isopropyl-4-thiazolyl)methyl)-3-methylureido)-3-methylbutyramido)-4-phenylbutyl)phenethyl)carbamate; MLS000759541; MLS001424063; MLS006011764; BIDD:GT0387; GTPL8804; DTXSID1048627; Ritonavir, >=98% (HPLC); AOB1044; HMS2051B08; HMS2235O10; HMS3715L22; Pharmakon1600-01502391; Ritonavir related compounds mixture; ZINC3944422; Tox21_112969; Tox21_113431; AC-733; BDBM50088504; NSC760369; s1185; STK634209; AKOS000280930; Ritonavir & Poly-lactide-co-glycolide; Tox21_112969_1; CCG-101007; CS-0432; DB00503; KS-5017; MCULE-9029064305; NC00257; NSC 693184; NSC 760369; NSC-760369; MRF-0000287; NCGC00159462-03; NCGC00159462-04; NCGC00159462-07; NCGC00159462-20; Ritonavir 100 microg/mL in Acetonitrile; BR164353; HY-90001; MLS000759541-02; R0116; SW197637-2; C07240; D00427; AB00639991-06; AB00639991-08; AB00639991_09; AB00639991_10; 213R675; A 84538; A904691; Q422618; J-009178; BRD-K51485625-001-07-6; Ritonavir solution, 1.0 mg/mL in acetonitrile, certified reference material; (2S, 3S, 5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinvl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane; (2S,3S,5S )-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl) methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl) methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane; (2S,3S,5S)-5-(N-(N((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane; (2S,3S,5S)-5-(N-(N-((N-MethyI-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1.6-diphenyl-3-hydroxyhexane; (2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl) methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane; (2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino )-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane; (2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1 .6-diphenyl-3-hydroxyhexane; (2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane; (2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3hydroxyhexane; (2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1.6-diphenyl-3-hydroxyhexane; 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]carbamate; 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]carbamate; 5-Thiazolylmethyl (3S,4S,6S,9S)-4-hydroxy-12-methyl-9-(1-methylethyl)-13-[2-(1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis(phenylmethyl)-2,7,10,12-tetraazatridecanoate; N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N(2)-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide; N1-((1S,3S,4S)-1-benzyl-3-hydroxy-5-phenyl-4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}pentyl)-N2-{[[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)amino]carbonyl}-L-valinamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45409	DB00503	DR00332	DR1430	720.9	C37H48N6O5S2	202	1040	6	50	4	9	18	"1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1"	CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O	NCDNCNXCDXHOMX-XGKFQTDJSA-N
DG00578	Tenofovir disoproxil fumarate	6398764	"Tenofovir Disoproxil Fumarate; 202138-50-9; Viread; Tenofovir DF; UNII-OTT9J7900I; OTT9J7900I; Tenofovir Disoproxil (fumarate); Tenofovir (Disoproxil Fumarate); GS-4331-05; CHEBI:63718; GSK-548470; 9-((R)-2-((bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine fumarate; (R)-(((((1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphoryl)bis(oxy))bis(methylene) diisopropyl dicarbonate fumarate; 2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, 1,9-bis(1-methylethyl) ester, 5-oxide, (2E)-2-butenedioate (1:1); Tenofovir Disoproxil Fumarate; (2E)-but-2-enedioic acid bis({[(propan-2-yloxy)carbonyl]oxy}methyl) {[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methanephosphonate; [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid; HSDB 7165; Tenofovirdisoproxilfumarate; C19H30N5O10P.C4H4O4; Tenofovir Disoproxil Fumarate [USAN]; Virea; GS 4331-05; GSK548470; Viread (TN); PMPA-PRODRUG; tenofovir-disoproxil-fumarate; CHEMBL1486; SCHEMBL40021; Tenofoviri disoproxili fumaras; MLS004774141; GS-1278 Disoproxil Fumarate; SCHEMBL2670560; AOB5580; EX-A590; s1400; Tenofovir disoproxil fumarate- Bio-X; AKOS016340707; AKOS025149493; CCG-270300; CS-1346; GS-US-104-0321; KS-1246; 9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine, fumarate; (R)-5-((2-(6-Amino-9H-purin-9-yl)-1-methylethoxy)methyl)-2,4,6,8-tetraoxa-5-phosphanonanedioic acid, bis(1-methylethyl) ester, 5-oxide, (E)-2-butenedioate (1:1); 9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine fumarate (1:1); Bis(hydroxymethyl) (((R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)phosphonate, bis(isopropyl carbonate) (ester), fumarate (1:1); BT164457; HY-13782; SMR003500786; Tenofovir disoproxil fumarate (JAN/USAN); BCP0726000258; AM20090676; V1698; GS-4331-05-; D01982; Tenofovir disoproxil fumarate, >=98% (HPLC); Q-201788; Q27132754; [[(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-(isopropoxycarbonyloxymethoxy)phosphoryl]oxymethyl isopropyl carbonate; fumaric acid; 9-[(R)-2[[bis[[(isopropoxycarbonyl)oxy]methoxy]phosphinyl]methoxy]propyl]adenine fumarate (1:1); bis({[(propan-2-yloxy)carbonyl]oxy}methyl) ({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonate (2E)-but-2-enedioate; Tenofovir disoproxil fumarate, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63718	DB00300	.	DR1554	635.5	C23H34N5O14P	260	817	.	43	3	18	19	"1S/C19H30N5O10P.C4H4O4/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24;5-3(6)1-2-4(7)8/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-;/m1./s1"	C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C.C(=C/C(=O)O)\\C(=O)O	VCMJCVGFSROFHV-WZGZYPNHSA-N
DG00579	Carbobenzoxy (Z)-D-Phe-L-Phe-Gly	474878	"75539-79-6; Carbobenzoxyphenylalanyl-phenylalanyl-glycine; Z-D-Phe-Phe-Gly-OH; 2-[[(2S)-3-phenyl-2-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]acetic acid; Cbz-phe-phe-gly; Z-Phe-phe-gly; Carbobenzoxy-phe-phe-gly; N-CBZ-D-PHE-PHE-GLY; Benzyloxycarbonyl-phe-phe-gly; Virus replication inhibitory peptide ppg; Z-D-Phe-L-Phe-Gly; Carbobenzoxy-D-Phe-L-Phe-Gly; SCHEMBL10521480; DTXSID00997002; ZINC4537280; Glycine, N-[(phenylmethoxy)carbonyl]-D-phenylalanyl-L-phenylalanyl-; MFCD00063351; carbobenzoxy-d-phenylalanyl-l-phenylalanylglycine; A811423; Glycine, N-(N-(N-((phenylmethoxy)carbonyl)-D-phenylalanyl)-L-phenylalanyl)-; 2-[[(2S)-1-oxo-2-[[(2R)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-3-phenylpropyl]amino]acetic acid; 2-[[(2S)-2-[[(2R)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]acetic acid; 2-[[(2S)-3-phenyl-2-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]ethanoic acid; N-{2-[(2-{[(Benzyloxy)(hydroxy)methylidene]amino}-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-3-phenylpropylidene}glycine"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	503.5	C28H29N3O6	134	742	3.3	37	4	6	13	"1S/C28H29N3O6/c32-25(33)18-29-26(34)23(16-20-10-4-1-5-11-20)30-27(35)24(17-21-12-6-2-7-13-21)31-28(36)37-19-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,29,34)(H,30,35)(H,31,36)(H,32,33)/t23-,24+/m0/s1"	C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)O)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3	ZSOSVHOISBSKID-BJKOFHAPSA-N
DG00580	Bromocriptine	31101	"Bromocriptine; Bromocryptine; 25614-03-3; Bromocriptin; Bromoergocryptine; Bromoergocriptine; Bromergocryptine; 2-Bromo-alpha-ergocryptine; Parlodel; 2-Bromo-alpha-ergokryptine; Bromocriptina; Bromocriptinum; 2-Bromo-alpha-ergokryptin; Bromocriptinum [INN-Latin]; Bromocriptina [INN-Spanish]; Bagren; Bromocriptine methanesulfonate; UNII-3A64E3G5ZO; CB-154; 2-Bromoergocryptine; Ergocryptine, 2-bromo-; 3A64E3G5ZO; CHEBI:3181; Ergotaman-3',6',18-trione, 2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha)-; Ergoset; Bromergon; CB 154; 22260-51-1; (5'alpha)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-3',6',18-trioxoergotaman; 2-Bromo-.alpha.-ergocryptine; Bromocriptine (mesylate); C32H40BrN5O5; CCRIS 3244; NSC169774; EINECS 247-128-5; Bromocriptine (USAN/INN); SR-01000075356; Bromocriptine [USAN:INN:BAN]; NCGC00024584-03; 08Y; 2-Bromo-12'-hydroxy-2'-(1-methylethyl)-5'-alpha-(2-methylpropyl)ergotamin-3',6',18-trione; Bromocriptine+ (GTP-); Prestwick0_000121; Prestwick1_000121; Prestwick2_000121; Carboprost Methylate,(S); DSSTox_CID_2687; Biomol-NT_000005; CHEMBL493; GTPL35; (5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman; DSSTox_RID_76692; DSSTox_GSID_22687; Lopac0_000171; SCHEMBL25297; (5'alpha)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione; BIDD:GT0464; SPBio_002101; BPBio1_001131; DTXSID1022687; SANDOZ 15-754; BDBM81993; Ergocryptine, 2-bromo- (8CI); Tox21_110907; PDSP2_001500; ZINC53683151; AKOS015961273; CCG-204266; DB01200; SDCCGSBI-0050159.P003; dioxooctahydro-2H-oxazolo[3,2-a]pyrrolo; NCGC00024584-04; NCGC00024584-05; NCGC00024584-07; NCGC00024584-09; (5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-2'-(propan-2-yl)-3',6',18-trioxoergotaman; (6aR,9R)-5-Bromo-N-((2R,5S,10aS,10bS)-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxooctahydro-2H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide; AC-13601; NCI60_001365; 10b-hydroxy-5-isobutyl-2-isopropyl-3,6-; CAS-25614-03-3; C06856; D03165; hexahydroindolo[4,3-fg]quinoline-9-carboxamide; Q413581; J-016067; SR-01000075356-5; (6aR,9R)-5-bromo-N-((2R,5S,10aS,10bS)-; [2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9-; BRD-K14496212-001-01-1; BRD-K14496212-066-04-8; (4R,7R)-10-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide; (5alpha,5'beta)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman; (6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide; N-[(2R,5S,10aS,10bS)-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-8,9,10,10a-tetrahydro-5H-oxazolo[[ ]]pyrrolo[[ ]]pyrazin-2-yl]-bromo-methyl-[ ]carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3181	DB01200	DR00550	.	654.6	C32H40BrN5O5	118	1230	3.8	43	3	6	5	"1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1"	CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O	OZVBMTJYIDMWIL-AYFBDAFISA-N
DG00581	TAS-120	71621331	"Futibatinib; TAS-120; 1448169-71-8; FGFR-IN-1; TAS120; UNII-4B93MGE4AL; 4B93MGE4AL; TAS 120; 1-[(3S)-3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-pyrrolidinyl]-2-propen-1-one; 1-[(3S)-3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one; 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one; Futibatinib [USAN]; Futibatinib (JAN/USAN/INN); GTPL9786; CHEMBL3701238; SCHEMBL15345470; TAS 120 [WHO-DD]; BDBM161389; AMY16930; BCP17213; EX-A1862; NSC813488; WHO 10879; ZINC207800318; CS-6031; DB15149; Example 2 [WO2013108809]; NSC-813488; (S)-1-(3-(4-amino-3-((3,5-dimethoxyphenyl)ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidin-1-yl)prop-2-en-1-one; BS-15425; HY-100818; D11725; D77976; US9108973, 2; 2-Propen-1-one, 1-((3S)-3-(4-amino-3-(2-(3,5-dimethoxyphenyl)ethynyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)-1-pyrrolidinyl)-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB15149	.	.	418.4	C22H22N6O3	108	723	2	31	1	7	6	"1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1"	COC1=CC(=CC(=C1)C#CC2=NN(C3=NC=NC(=C23)N)[C@H]4CCN(C4)C(=O)C=C)OC	KEIPNCCJPRMIAX-HNNXBMFYSA-N
DG00582	Bimatoprost	5311027	"Bimatoprost; 155206-00-1; Lumigan; Latisse; AGN 192024; UNII-QXS94885MZ; AGN-192024; (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide; QXS94885MZ; CHEBI:51230; (Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((1E,3S)-3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-5-heptenamide; (E)-7-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide; bimatoprostum; Prostamide; (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]cyclopentyl}-N-ethylhept-5-enamide; (5z)-7-{(1r,2r,3r,5s)-3,5-Dihydroxy-2-[(1e,3s)-3-Hydroxy-5-Phenylpent-1-Enyl]cyclopentyl}-N-Ethylhept-5-Enamide; Lumigan (TN); (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]cyclopentyl]-N-ethylhept-5-enamide; Bimatoprost [USAN:INN:BAN:JAN]; Latisse (TN); LS-181817; SCHEMBL24425; 5-Heptenamide, 7-(3,5-dihydroxy-2-(3-hydrdoxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-, (1R-(1alpha(Z),2beta(1E,3S*),3alpha,5alpha))-; MLS006010039; US9271961, Bimatoprost; Bimatoprost (JAN/USAN/INN); GTPL1958; CHEMBL1200963; DTXSID30895042; BDBM220120; EX-A1769; HY-B0191; ZINC4474405; MFCD03411999; AKOS015995566; AM84507; DB00905; NCGC00181745-01; NCGC00181745-03; 5-Heptenamide, 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E,3S)-3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-, (5Z)-; 5-Heptenamide, 7-(3,5-dihydroxy-2-(3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-, (1R-1(alpha(Z),2beta(1E,3S*)3alpha,5alpha))-; AS-35082; M052; SMR000058996; D02724; 206B001; SR-01000942224; Q2393348; SR-01000942224-1; 17-PHENYL TRINOR PROSTAGLANDIN F2ALPHA ETHYL AMIDE; 17-Phenyl-tri-norprostaglandin F2alpha-ethyl amide, >=95%, solid; 15M; 5-Heptenamide, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl]-N-ethyl-, (5Z)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:51230	DB00905	.	DR0213	415.6	C25H37NO4	89.8	541	2.8	30	4	4	12	"1S/C25H37NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21+,22+,23-,24+/m0/s1"	CCNC(=O)CCC/C=C\\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCC2=CC=CC=C2)O)O)O	AQOKCDNYWBIDND-FTOWTWDKSA-N
DG00583	Latanoprost	5311221	"Latanoprost; 130209-82-4; Xalatan; PhXA41; PHXA-41; PhXA 41; XA41; UNII-6Z5B6HVF6O; propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate; Isopropyl (Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((3R)-3-hydroxy-5-phenylpentyl)cyclopentyl)-5-heptenoate; 6Z5B6HVF6O; Latanoprost, ethanol solution; latanoprost (isopropyl ester); CHEBI:6384; propan-2-yl (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl}hept-5-enoate; MFCD00216074; XA-41; T-2345; 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-, 1-methylethyl ester, (5Z)-; isopropyl (5Z,9alpha,11alpha,15R)-9,11,15-trihydroxy-17-phenyl-18,19,20-trinorprost-5-en-1-oate; Catioprost; (Z)-isopropyl 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((R)-3-hydroxy-5-phenylpentyl)cyclopentyl)hept-5-enoate; SMR000466354; Xalatan (TN); latanoprostum; Nova-21027; Latanoprost [USAN:INN:BAN]; XA 41; PhXA34 [as 15(R,S)-isomer]; propan-2-yl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate; AR-202; L-PPDS; Latanoprost, (+/-)-; CHEMBL1051; SCHEMBL24698; MLS000759468; MLS001424106; Latanoprost (JAN/USP/INN); GTPL1961; DTXSID1041057; HMS2051H11; HMS2089J17; HMS3715N22; AMY30089; EX-A1770; HY-B0577; BDBM50240648; s4709; ZINC12468792; Latanoprost, >=98% (HPLC), oil; AKOS024458331; CCG-100946; DB00654; NC00196; NCGC00246969-01; NCGC00246969-06; (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptanoic acid 1-methylethyl ester; AS-75099; Isopropyl (5Z,9alpha,11alpha,15R)-9,11,15-trihydroxy-17-phenyl-18,19,20-trinor-prost-5-en-1-oate; L0262; D00356; AB00640005-04; AB00640005-06; 209L824; A806039; Q634959; SR-01000759428; J-005764; SR-01000759428-4; UNII-8S5FB3XXG8 component GGXICVAJURFBLW-CEYXHVGTSA-N; Latanoprost, United States Pharmacopeia (USP) Reference Standard; Tris(2,4-dimethylphenyl)phosphine-5,5',5''''-trisulfonic acid trisodium salt; (1R,2R,3R,5S,3''R)-7-[3,5-Dihydroxy-2-(3-hydroxy-5-phenyl-pentyl)-cyclopentyl]-hept-5-enoic acid isopropyl ester; (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoic acid propan-2-yl ester; 155551-81-8; 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl)-, 1-methylethyl ester; 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl)-, 1-methylethyl ester, (1R-(1-alpha(Z),2-beta(R*),3-alpha,5-alpha))-; Isopropyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate; propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6384	DB00654	.	.	432.6	C26H40O5	87	526	4.3	31	3	5	14	"1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1"	CC(C)OC(=O)CCC/C=C\\C[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCC2=CC=CC=C2)O)O)O	GGXICVAJURFBLW-CEYXHVGTSA-N
DG00584	Dasabuvir	56640146	"Dasabuvir; 1132935-63-7; ABT-333; N-(6-(3-(tert-butyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide; exviera; ABT333; Dasabuvir (ABT-333); UNII-DE54EQW8T1; CHEBI:85182; ABT 333; Dasabuvir sodium monohydrate; DE54EQW8T1; N-(6-(3-tert-Butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide; N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide; N-{6-[3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl]naphthalen-2-yl}methanesulfonamide; C26H27N3O5S; Dasabuvir [INN]; Dasabuvir [USAN:INN]; Dasabuvir(ABT-333); Dasabuvir (USAN/INN); EC 805-439-9; SCHEMBL351053; CHEMBL3137312; GTPL11270; AMY6937; EX-A432; BCP09324; BDBM50549803; MFCD27923655; s5402; ZINC95616937; AKOS022178299; CCG-269640; DB09183; SB16833; NCGC00378604-01; NCGC00378604-04; AC-28957; AM808018; AS-55916; DA-35359; HY-13998; Methanesulfonamide, N-(6-(5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl)-2-naphthalenyl)-; N-(6-(3-(tert-butyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)met; FT-0726471; Y1902; D10553; A894448; Q19462214; ABT 333; ; ; N-[6-[3-tert-Butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide; N-(6-(3-tert-butyl-5(2,4-dioxo -3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide; N-(6-(3-tert-butyl-5-(2, 4-dioxo -3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide; N-(6-(3-tert-butyl-5-(2,4-dioxo -3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide; N-(6-(3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1 (2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide; N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxy-phenyl]-2-naphthyl]methanesulfonamide; Sodium 3-(3-tert-butyl-4-methoxy-5-{6- [(methylsulfonyl)amino]naphthalene-2-yl}phenyl)-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-ide hydrate (1:1:1)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85182	DB09183	DR01289	DR0422	493.6	C26H27N3O5S	113	938	4.3	35	2	6	6	"1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31)"	CC(C)(C)C1=CC(=CC(=C1OC)C2=CC3=C(C=C2)C=C(C=C3)NS(=O)(=O)C)N4C=CC(=O)NC4=O	NBRBXGKOEOGLOI-UHFFFAOYSA-N
DG00585	Sofosbuvir	45375808	"SOFOSBUVIR; PSI-7977; 1190307-88-0; SOVALDI; GS-7977; PSI 7977; UNII-WJ6CA3ZU8B; GS7977; WJ6CA3ZU8B; CHEBI:85083; GS 7977; propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate; Sofosbuvir [USAN:INN]; C22H29FN3O9P; Hepcinat; Hepcvir; Resof; SoviHep; HSDB 8226; PSI7977; Sovaldi (TN); Sofosbuvir (JAN/USAN); Sofosbuvir(PSI-7977); Sofosbuvir (GS-7977); 2-((5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-ylmethoxy)phenoxyphosphorylamino)propionic acid isopropyl ester; GTPL7368; SCHEMBL2010114; SofosbuvirPSI7977GS-7977; CHEMBL1259059; AMMD00019; EX-A389; (S)-isopropyl 2-(((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)amino)propanoate; isopropyl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate; s2794; AKOS024464753; ZINC100074252; AM84279; CCG-269909; CS-0554; DB08934; GI 7977; GI-7977; Sofosbuvir (PSI-7977, GS-7977); Sofosbuvir (PSI-7977; GS-7977); BS165550; HY-15005; SW219116-1; D10366; Q2502747; (S)-2-{[(1R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-(R)-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-ylmethoxy]phenoxyphosphorylamino}propionic acid (S)-isopropyl ester; (S)-Isopropyl 2-(((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-h; (S)-Isopropyl 2-((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorylamino)propanoate; isopropyl ((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate; isopropyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate; S)-Isopropyl 2-((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)- (phenoxy)phosphorylamino)propanoate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85083	DB08934	DR00372	DR1495	529.5	C22H29FN3O9P	153	913	1	36	3	11	11	"1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1"	C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3	TTZHDVOVKQGIBA-IQWMDFIBSA-N
DG00586	Corticosteroids	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00587	Penicillin V	6869	"Penicillin v; Phenoxymethylpenicillin; Oracillin; Penicillin phenoxymethyl; 87-08-1; Phenomycilline; Fenospen; Phenoxymethyl penicillin; V-Cillin; Vebecillin; Distaquaine V; Beromycin; Phenoxymethylenepenicillinic acid; Phenoximethylpenicillinum; Phenoxymethylpenicillinum; Fenoximetilpenicilina; Pen-V; phenoxymethylpenicillinic acid; Phenoxymethylpenicilline; Phenopenicillin; 6-Phenoxyacetamidopenicillanic acid; Penapar-Vk; Meropenin; Fenossimetilpenicillina [DCIT]; phenoxomethylpenicillin; Phenocillin; Stabicillin; Fenacilin; Oratren; Apopen; Ospen; Fenoximetilpenicilina [INN-Spanish]; Eskacillian V; V-Tablopen; Pen-vee; Acipen V; Pen-Oral; V-Cyline; Penicillin-Vk; V-Cil; Betapen-VK; Beepen-VK; Veetids; UNII-Z61I075U2W; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; CHEBI:27446; Calcipen; Rocilin; (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; Compocillin V; Eskacillin V; Crystapen V; V-Cylina; Phenoxymethylpenicillin (INN); (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID; Z61I075U2W; P-Mega-Tablinen; (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; PNV; Fenossimetilpenicillina; Phenoxymethylpenicillin [INN]; Penicillanic acid, 6-phenoxyacetamido-; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[(phenyloxy)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; Phenoxymethylpenicilline [INN-French]; Phenoxymethylpenicillinum [INN-Latin]; CCRIS 752; V-Cillin (TN); Penicillin V (USP); HSDB 6314; phenoxomethylpenicillanyl; phenoxymethylpenicillanyl; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-; EINECS 201-722-0; BRN 0096259; Penicillin V [USAN:USP]; Phenoxymethylpenicillinic acid potassium salt; PENICILLINV; penicillin-v-potassium; 3,3-Dimethyl-7-oxo-6-((phenyloxyacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenoxyacetyl)amino)-, (2S-(2alpha,5alpha,6beta))-; PC Pen VK; Spectrum_001007; Spectrum2_000495; Spectrum3_000543; Spectrum4_000472; Spectrum5_001409; CHEMBL615; Epitope ID:115011; Epitope ID:116056; SCHEMBL49223; BSPBio_002185; KBioGR_000944; KBioSS_001487; 4-27-00-05884 (Beilstein Handbook Reference); MLS001304105; DivK1c_000779; SPBio_000389; DTXSID3023429; SCHEMBL22099709; CHEBI:53706; GTPL10920; KBio1_000779; KBio2_001487; KBio2_004055; KBio2_006623; KBio3_001685; NINDS_000779; ZINC3831282; 2,2-dimethyl-6beta-[(phenoxyacetyl)amino]penam-3alpha-carboxylic acid; BDBM50370584; 3,3-dimethyl-6beta-[(phenoxyacetyl)amino]penam-2alpha-carboxylic acid (PIN); AKOS015969737; DB00417; IDI1_000779; SMR000539431; SBI-0051477.P003; AB00514745; C08126; D05411; Q422215; W-109316; BRD-K43966364-237-02-2; BRD-K43966364-237-03-0; Phenoxymethylpenicillin 100 microg/mL in Acetonitrile; 6beta-Phenoxyacetamido-2,2-dimethylpenam-3alpha-carboxylic acid; Phenoxymethylpenicillin, Antibiotic for Culture Media Use Only; Penicillin V, United States Pharmacopeia (USP) Reference Standard; Phenoxymethylpenicillin, European Pharmacopoeia (EP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:27446	DB00417	DR00868	.	350.4	C16H18N2O5S	121	547	2.1	24	2	6	5	"1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C	BPLBGHOLXOTWMN-MBNYWOFBSA-N
DG00588	Foscarnet	3415	"Foscarnet; Phosphonoformic acid; Phosphonoformate; Carboxyphosphonic acid; 4428-95-9; Foscarmet; phosphonocarboxylic acid; Dihydroxyphosphinecarboxylic acid oxide; UNII-364P9RVW4X; phosphonomethanoic acid; CHEMBL666; 364P9RVW4X; CHEBI:127780; dihydroxyphosphanecarboxylic acid oxide; Phgosphonocarboxylic acid; NSC313410; Formic acid, phosphono-; Forscarnet; Phosphinecarboxylic acid, dihydroxy-, oxide; HSDB 8122; 1nki; J05AD01; Foscarnet (PFA); Spectrum_001359; PFA & rIFN.alpha.A; Spectrum2_000668; Spectrum3_001484; Spectrum4_000840; Spectrum5_000932; phosphonoformic acid(PFA); MSL & PFA; Phosphono-formic acid(PFA); hydroxycarbonylphosphonic acid; SCHEMBL23633; BSPBio_003067; Foscarnet & IFN-.ALPHA.; KBioGR_001419; KBioSS_001839; DivK1c_000915; SPBio_000735; GTPL5497; DTXSID0048478; KBio1_000915; KBio2_001839; KBio2_004407; KBio2_006975; KBio3_002567; NINDS_000915; ZINC8101109; BDBM50011181; Phosphonoformic acid & IFN-.ALPHA.; AKOS006281397; DB00529; IDI1_000915; Phosphonoformic acid trisodium salt hexa; (PFA)dihydroxyphosphinecarboxylic acid oxide; dihydroxyphosphinecarboxylic acid oxide(PFA); C06456; Q420387; 6-(2-Nitrophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole; Phosphonoformate(trisodium) & Recombinant Alpha-A Interferon; Dihydroxyphosphinecarboxylic acid oxide and MSL, neutralizing monoclonal antibody"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:141644	DB00529	.	.	126.01	CH3O5P	94.8	120	-2	7	3	5	1	"1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)"	C(=O)(O)P(=O)(O)O	ZJAOAACCNHFJAH-UHFFFAOYSA-N
DG00589	Cidofovir	60613	"Cidofovir; 113852-37-2; Vistide; HPMPC; Cidofovir anhydrous; (S)-HPMPC; GS-504; Cidofovir (Vistide); Cidofovir hydrate; GS 0504; (S)-1-(3-Hydroxy-2-phosphonomethoxypropyl)cytosine; CDV; UNII-768M1V522C; [1-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid; GS-0504; (S)-1-[3-hydroxy-2-(phosphonylmethoxy)propyl]cytosine; (S)-(((1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl)oxy)methyl)phosphonic acid; CHEBI:3696; ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid; (S)-1-[3-hydroxy-2-(phosphonomethoxy)propyl]cytosine; 768M1V522C; NSC-742135; NCGC00184994-01; 1-(S)-[3-hydroxy-2-(phosphonomethoxy)propyl]cytosine; 1-[(S)-3-hydroxy-2-(phosphonomethoxy)propyl]cytosine; Cidofovir (anhydrous); Cidofovir hydrate (1:2); Cidofovirum; Forvade; (S)-(3-(4-amino-2-oxopyrimidin-1(2H)-yl)-1-hydroxypropan-2-yloxy)methylphosphonic acid; [(S)-2-(4-Amino-2-oxo-2H-pyrimidin-1-yl)-1-hydroxymethyl-ethoxymethyl]-phosphonic acid; anhydrous cidofovir; Cidofovir [INN]; ({[(2S)-1-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid; C8H14N3O6P; HSDB 7115; GS504; Hpmpc dihydrate; Cidofovir gel; Cidofovir,Vistide; Cidofovir(Vistide); Forvade (TM); Cidofovir, anhydrous; (S)-HPMPC; Cidovir; CHEMBL152; Cidofovir anhydrous- Bio-X; SCHEMBL3948; DSSTox_CID_23734; DSSTox_RID_80069; DSSTox_GSID_43734; (2S)-3-Hydroxy-2-phosphonylmethoxypropyl-cytosine; MLS003915629; (S)-1-[3-hydroxy-2-(phosphonylmethoxy)-propyl]cytosine; DTXSID3043734; BDBM31915; 1-[(S)-3-Hydroxy-2-(phosphonomethoxy)propyl]-cytosine dihydrate; BCP03734; EX-A4209; ZINC1530600; Tox21_112994; MFCD00866936; MFCD17215968; NSC742135; s1516; AKOS005145721; AKOS015854828; AC-1666; BCP9000528; CCG-267235; CS-1669; DB00369; GS-6438; (S)-2-(4-Amino-2-oxo-1(2H)-pyrimidinyl-1-(hydroxymethyl)ethoxy)methyl phosphonic acid; [(1S)-1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid; NCGC00184994-02; NCGC00184994-03; BC164304; HY-17438; Phosphonic acid, ((2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)-, (S)-; SMR002544687; BCP0726000147; CAS-113852-37-2; AB01566823_01; 394C661; Q423445; SR-01000931969; J-502695; SR-01000931969-2; [[(S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]phosphonic acid; ({[(S)-1-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid; L8P; Phosphonic acid, [[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-; Phosphonic acid,[[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3696	DB00369	DR00066	.	279.19	C8H14N3O6P	146	417	-3.6	18	4	6	6	"1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1"	C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O	VWFCHDSQECPREK-LURJTMIESA-N
DG00590	Ganciclovir	135398740	"Ganciclovir; 82410-32-0; Gancyclovir; Cytovene; Vitrasert; Zirgan; RS-21592; Ganciclovirum; Cymevene; BW-759U; 2-Amino-9-(((1,3-dihydroxypropan-2-yl)oxy)methyl)-1H-purin-6(9H)-one; Virgan; 2'-Nor-2'-deoxyguanosine; BW 759U; 2'-NDG; BW 759; 9-[(1,3-Dihydroxy-2-propoxy)methyl]guanine; UNII-P9G3CKZ4P5; 9-((2-Hydroxy-1-(hydroxymethyl)ethoxy)methyl)guanine; MFCD00870588; 9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE; GA2; CHEBI:465284; 2-amino-9-{[(1,3-dihydroxypropan-2-yl)oxy]methyl}-6,9-dihydro-3H-purin-6-one; 9-((1,3-Dihydroxy-2-propoxy)methyl)guanine; Guanine, 9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-; Hydroxyacyclovir; 2-amino-9-((1,3-dihydroxypropan-2-yloxy)methyl)-1H-purin-6(9H)-one; P9G3CKZ4P5; 2-amino-9-{[(1,3-dihydroxypropan-2-yl)oxy]methyl}-1,9-dihydro-6H-purin-6-one; MLS000028481; 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one; 2-(6-Amino-purin-9-ylmethoxy)-propane-1,3-diol; NSC-759656; NCGC00015471-02; HHEMG; SMR000058324; Biolf 62; Ganciclovirum [Latin]; 2-amino-9-((1,3-dihydroxypropan-2-yloxy)methyl)-9H-purin-6-ol; CAS-82410-32-0; 2-amino-9-((1,3-dihydroxypropan-2-yloxy)methyl)-3H-purin-6(9H)-one; 2-Amino-9-(2-hydroxy-1-hydroxymethyl-ethoxymethyl)-1,9-dihydro-purin-6-one; 2-amino-9-(2-hydroxy-1-hydroxymethylethoxymethyl)-6,9-dihydro-1H-6-purinone; DSSTox_CID_21032; DSSTox_RID_79613; DSSTox_GSID_41032; GCV; BIOLF-62; 9-[[2-Hydroxy-1-(hydroxymethyl)ethoxy]methyl]guanine; 2-[(2-amino-6-hydroxypurin-9-yl)methoxy]propane-1,3-diol; Citovirax; Cymevan; Cymeven; BW-B 759U; 2-(2-Amino-1,6-dihydro-6-oxo-purin-9-yl)methoxy-1,3-propanediol; DRG-0018; 2-amino-9-(((1,3-dihydroxypropan-2-yl)oxy)methyl)-1,9-dihydro-6H-purin-6-one; Vitrasert (TN); Cytovene (TN); CCRIS 9212; HSDB 6512; SR-01000075894; GCV & MSL; Ganciclovir (JAN/USP/INN); 2-amino-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-1H-purin-6-one; Ganciclovir,(S); 2-Amino-1,9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-6-H-purin-6-one; BW-795; MB3795; Prestwick_1068; ST-605; Zirgan (TN); 6H-Purin-6-one, 2-amino-1,9-dihydro-9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-; GCV & 1110U81; Ganciclovir [USAN:USP:INN:BAN:JAN]; Opera_ID_284; 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one; Prestwick0_000839; Prestwick1_000839; Prestwick2_000839; Prestwick3_000839; Lopac-G-2536; BIOLF62; CHEMBL182; EC 627-054-3; G 2536; SCHEMBL3033; Lopac0_000539; BSPBio_000797; MLS001077349; BIDD:GT0783; SPBio_002718; BPBio1_000877; ZINC1505; DTXSID8041032; methyl)-1H-purin-6(9H)-one; SCHEMBL14491348; BDBM85707; HMS1570H19; HMS2090K08; HMS2097H19; HMS2235C21; HMS3259B13; HMS3261L19; HMS3371H01; HMS3604L19; HMS3655M18; HMS3714H19; Pharmakon1600-01502362; ACT03317; BCP12705; NSC_3454; Tox21_110160; Tox21_500539; BBL029078; BDBM50237614; NSC759656; PDSP1_000816; PDSP2_000803; s1878; STK801910; STL514515; 2-amino-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-3H-purin-6-one; AKOS004119898; AKOS026749928; AKOS037492029; Tox21_110160_1; Valganciclovir hydrochloride impurity a; AC-8069; CCG-204629; CS-2014; DB01004; Ganciclovir, >=99% (HPLC), powder; KS-1065; LP00539; MCULE-9512761592; NC00647; NSC 759656; SDCCGSBI-0050522.P002; 2-Amino-1,9-dihydro-9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-6H-purin-6-one; SMP2_000038; NCGC00015471-01; NCGC00015471-03; NCGC00015471-04; NCGC00015471-05; NCGC00015471-06; NCGC00015471-08; NCGC00015471-16; NCGC00093928-01; NCGC00093928-02; NCGC00168567-01; NCGC00188980-01; NCGC00261224-01; 9-(1,3-dihydroxy-2propoxymethyl)guanine; BG164496; HY-13637; SY027981; 9-(1,3-dihydroxy-2-propoxymethyl)guanine; CAS_82410-32-0; 2-amino-9-((1,3-dihydroxypropan-2-yloxy); 9-(1,3-dihydroxy-2-propoxymethyl)-guanine; EU-0100539; FT-0611007; FT-0668948; G0315; SW197135-3; EN300-49857; C07019; D00333; J10127; Ganciclovir 100 microg/mL in Acetonitrile:Water; 410G320; 9-[[(1,3-Dihydroxy-2-propyl)oxy]methyl]guanine; A840322; A935676; Ganciclovir, Antibiotic for Culture Media Use Only; Q417640; SR-01000721941; Q-201148; SR-01000075894-1; SR-01000075894-4; SR-01000721941-3; Z1259084907; Ganciclovir, European Pharmacopoeia (EP) Reference Standard; 2-[(2-amino-6-hydroxy-9H-purin-9-yl)methoxy]propane-1,3-diol; Ganciclovir, United States Pharmacopeia (USP) Reference Standard; Ganciclovir, Pharmaceutical Secondary Standard; Certified Reference Material; 2-((6-Hydroxy-2-imino-2,3-dihydro-9H-purin-9-yl)methoxy)propane-1,3-diol; 2-amino-9-{[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl}-1,9-dihydro-6H-purin-6-one; Ganciclovir, 1.0 mg/mL (1% 1M HCl in Methanol), certified reference material; Guanine, 9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)- and MSL, neutralizing monoclonal antibody"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:465284	DB01004	DR00027	.	255.23	C9H13N5O4	135	346	-2.5	18	4	6	5	"1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)"	C1=NC2=C(N1COC(CO)CO)N=C(NC2=O)N	IRSCQMHQWWYFCW-UHFFFAOYSA-N
DG00591	Valganciclovir	135413535	"Valganciclovir; 175865-60-8; Cymeval; L-Valine, ester with ganciclovir; CHEBI:63635; [2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-2-amino-3-methylbutanoate; L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)-3-hydroxypropyl ester; Valganciclovir [INN:BAN]; 2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]-3-hydroxypropyl (2S)-2-amino-3-methylbutanoate; Valganciclovir (INN); C14H22N6O5; NCGC00168779-01; HSDB 8085; L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]-3-hydroxypropyl ester; 5-Amino-3-[1-(hydroxymethyl)-2-(L-valyloxy)ethoxymethyl]-6,7-dihydro-3H-imidazo[4,5-d]pyrimidin-7-one; RS 79070; RO1079070/194; SCHEMBL28996; GTPL4716; CHEMBL1201314; DTXSID8048288; SCHEMBL12672612; SCHEMBL22357189; (2S)-2-((2-Amino-6-oxo-1H-purin-9(6H)-yl)methoxy)-3-hydroxypropyl 2-amino-3-methylbutanoate; HY-A0032; AKOS015896083; AKOS015966553; CS-0950; DB01610; 2-[(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl L-valinate; NCGC00387997-02; NCGC00387997-04; AM807983; Y0321; Ro-1079070/194; D02495; AB01563009_01; 865V608; Q423384; BRD-A50922295-003-01-9; [2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxy-propyl] (2S)-2-amino-3-methyl-butanoate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63635	DB01610	DR00404	.	354.36	C14H22N6O5	167	528	-1.5	25	4	8	9	"1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8 ,9-/m0/s1"	CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2=C1N=C(NC2=O)N)N	WPVFJKSGQUFQAP-GKAPJAKFSA-N
DG00592	Riluzole	5070	"Riluzole; 1744-22-5; Rilutek; 2-Amino-6-(trifluoromethoxy)benzothiazole; 6-(trifluoromethoxy)benzo[d]thiazol-2-amine; 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine; RP-54274; 2-amino-6-trifluoromethoxybenzothiazole; 2-amino-6-(trifluoromethoxy)benzo[d]thiazole; 2-Benzothiazolamine, 6-(trifluoromethoxy)-; PK-26124; RP 54274; C8H5F3N2OS; UNII-7LJ087RS6F; Riluzole (Rilutek); Amino-2 trifluoromethoxy-6 benzothiazole; MLS000069369; 6-Trifluoromethoxy-benzothiazol-2-ylamine; 2-Benzothiazolamine,6-(trifluoromethoxy)-; 2-Amino-6-(trifluoromethoxy)-benzothiazole; CHEMBL744; SMR000058231; 7LJ087RS6F; CHEBI:8863; Riluzol; 2-amino-6-(trifluoromethoxy)-1,3-benzothiazole; BENZOTHIAZOLE, 2-AMINO-6-TRIFLUOROMETHOXY-; MFCD00210213; NSC-753433; NSC-759823; NCGC00015882-09; Riluzolum; Riluzol [INN-Spanish]; Riluzolum [INN-Latin]; DSSTox_CID_25192; DSSTox_RID_80739; DSSTox_GSID_45192; Rilutek (TN); CAS-1744-22-5; Amino-2 trifluoromethoxy-6 benzothiazole [French]; Tiglutik; 2-amino-6-(trifluoromethoxyl)benzothiazole; Riluzole, solid; Riluzole [USAN:USP:INN:BAN]; Riluzole- Bio-X; BF-37; ALBB-006046; Prestwick-03A08; 6-(trifluoromethoxy)-2-benzothiazolamine; Tocris-0768; PK 26124; 6-trifluoromethoxybenzothiazole-2-yl-amine; Opera_ID_548; Lopac-R-116; Riluzole-13C-15N2; Prestwick0_000167; Prestwick1_000167; Prestwick2_000167; Prestwick3_000167; Spectrum2_000550; Biomol-NT_000245; cid_5070; Riluzole (JAN/USP/INN); Lopac0_001064; SCHEMBL78905; BSPBio_000033; BIDD:GT0055; SPBio_000599; SPBio_001954; BPBio1_000037; BPBio1_000837; GTPL2326; ZINC6481; DTXSID3045192; BDBM30705; Bio1_000416; Bio1_000905; Bio1_001394; HMS1773G08; HMS2089O19; HMS2094G07; HMS2233E14; HMS3263E10; HMS3371A09; HMS3657E13; Pharmakon1600-01505348; AMY14166; BCP02142; BHV-0223; HY-B0211; Riluzole - CAS 1744-22-5; Tiglutik (thickened oral suspension); Tox21_110252; Tox21_501064; AC-730; BBL013272; CCG-39528; NSC753433; NSC759823; s1614; STK503686; AKOS000265071; Tox21_110252_1; DB00740; KS-5231; LP01064; MCULE-9362288181; NSC 753433; NSC 759823; SDCCGSBI-0051034.P003; 2-amino-6-trifluoromethoxy-benzothiazole; 6-(trifluoromethoxy)benzothiazol-2-amine; 6-trifluoromethoxy-2-amino-benzothiazole; NCGC00015882-01; NCGC00015882-02; NCGC00015882-03; NCGC00015882-04; NCGC00015882-05; NCGC00015882-06; NCGC00015882-07; NCGC00015882-08; NCGC00015882-10; NCGC00015882-11; NCGC00015882-12; NCGC00015882-13; NCGC00015882-15; NCGC00015882-28; NCGC00023141-02; NCGC00023141-04; NCGC00023141-05; NCGC00023141-06; NCGC00261749-01; 6-(trifluoromethoxy)-2-aminobenzothiazole; 6-trifluoromethoxybenzo[d]thiazol-2-amine; BR164340; H090; SBI-0051034.P002; 2-Amino-6-(Trifluoromethoxy) Benzothiazole; 6-(Trifluoromethoxy)-2-amino-benzothiazole; DB-030335; EU-0101064; FT-0611194; R1174; SW196805-4; EN300-23782; 6-trifluoromethoxy-1,3-benzothiazol-2-ylamine; C07937; D00775; J10184; J10441; VU0239571-11; 744R225; Q415744; SR-01000002997-3; BRD-K21283037-001-02-5; BRD-K21283037-003-03-9; BRD-K21283037-003-06-2; F3282-0020; Z166605314; Rilutek; ; ; Rilutor; ; ; 6-(Trifluoromethoxy)-2-benzothiazolamine; Riluzole, United States Pharmacopeia (USP) Reference Standard; 2-Amino-6-(trifluoromethoxy)-1,3-benzothiazole;2-AMINO-6-(TRIFLUOROMETHOXY)BENZOTHIAZOLE"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8863	DB00740	DR00205	DR1425	234.2	C8H5F3N2OS	76.4	238	3.6	15	1	7	1	"1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)"	C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N	FTALBRSUTCGOEG-UHFFFAOYSA-N
DG00593	Rocuronium	441290	"Rocuronium; 143558-00-3; UNII-WRE554RFEZ; CHEBI:8884; WRE554RFEZ; [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate; Org-9426; 1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-14-(acetyloxy)-5-hydroxy-2,15-dimethyl-4-(morpholin-4-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-yl]-1-(prop-2-en-1-yl)pyrrolidin-1-ium; NCGC00167433-01; Rocuronium ion; Rocuronium cation; Epitope ID:174837; C07556; SCHEMBL29958; C32H53BrN2O4; BIDD:GT0360; GTPL4003; CHEMBL1201244; DTXSID6048339; TQP0579; C32H53N2O4; HMS2090E03; ZINC53229445; CS-0733; DB00728; NCGC00167433-05; (2beta,3alpha,5alpha,16beta,17beta)-17-acetoxy-16-(1-allylpyrrolidinium-1-yl)-3-hydroxy-2-(morpholin-4-yl)androstane; H896; HY-17033; X5020; AB01274786-01; AB01274786-02; AB01274786_03; Q185331; SR-05000001500; SR-05000001500-1; BRD-K43305603-004-02-8; 1-[(2; A,3; A,5; A,16; A,17; A)-17-(Acetyloxy)-3-hydroxy-2-(4-morpholinyl)androstan-16-yl]-1-(2-propenyl)pyrrolidinium"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8884	DB00728	DR00442	.	529.8	C32H53N2O4+	59	898	5	38	1	5	6	"1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1"	CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C	YXRDKMPIGHSVRX-OOJCLDBCSA-N
DG00594	Melamine-based arsenicals	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00595	Phenobarbital	4763	"Phenobarbital; Phenobarbitone; Phenobarbitol; Luminal; 50-06-6; Phenylethylbarbiturate; Phenobarbituric acid; Phenylethylmalonylurea; Fenobarbital; Phenemal; Adonal; Phenylethylbarbituric acid; Nunol; Neurobarb; Phenaemal; Dormiral; Gardenal; Hysteps; Aphenylbarbit; Aphenyletten; Dezibarbitur; Lepinaletten; Lumofridetten; Aephenal; Agrypnal; Amylofene; Barbenyl; Barbiphenyl; Barbipil; Barbivis; Barbonal; Barbophen; Bialminal; Cabronal; Calmetten; Calminal; Cardenal; Codibarbita; Coronaletta; Cratecil; Doscalun; Ensobarb; Ensodorm; Episedal; Epsylone; Eskabarb; Fenbital; Fenylettae; Gardepanyl; Glysoletten; Haplopan; Hennoletten; Hypnaletten; Hypnette; Hypnogen; Hypnolone; Hypnoltol; Liquital; Lixophen; Lubergal; Lubrokal; Lumesettes; Luphenil; Nirvonal; Parkotal; Pharmetten; Phenemalum; Phenobal; Phenobarbyl; Phenoluric; Phenolurio; Phenomet; Phenonyl; Phenoturic; Phenyletten; Phenyral; Polcominal; Promptonal; Sedizorin; Sedonettes; Solfoton; Sombutol; Somnolens; Somnoletten; Somnosan; Spasepilin; Starifen; Starilettae; Teolaxin; Barbita; Bardorm; Bartol; Chinoin; Duneryl; Epanal; Epidorm; Epilol; Etilfen; Euneryl; Fenemal; Fenosed; Haplos; Henotal; Leonal; Lepinal; Linasen; Lumesyn; Luramin; Molinal; Noptil; Sedabar; Sedicat; Sedlyn; Sedofen; Sedonal; Sevenal; Somonal; Lumen; Seda-Tablinen; Blu-phen; Nova-Pheno; Solu-Barb; Hypno-Tablinetten; Stental Extentabs; Phen-Bar; PHOB; Phenobarb; Sedophen; Talpheno; Triabarb; Versomnal; 5-Ethyl-5-phenylbarbituric acid; 5-Phenyl-5-ethylbarbituric acid; Tridezibarbitur; Triphenatol; Zadoletten; Barbinal; Barbiphen; Damoral; Dormina; Lefebar; Lephebar; Stental; Teoloxin; Theoloxin; Zadonal; SK-Phenobarbital; 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione; Thenobarbital; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione; Dormital; Phenylethylbarbitursaeure; Phenylaethylbarbitursaeure; 5-Ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione; Barbituric acid, 5-ethyl-5-phenyl-; 5-Ethyl-5-phenyl-pyrimidine-2,4,6-trione; Barbilehae (barbilettae); UNII-YQE403BP4D; component of Tedral; Sedonal (sedative); component of Slowten; CHEBI:8069; component of Antrocol; component of Hecadrol; component of Bronkotabs; 5-Ethyl-5-phenyl-2,4,6-(1H,3H,5H)pyrimidinetrione; component of Primatene P; CHEMBL40; Phenobarbital (in methanol solution); component of Valpin 50-PB; YQE403BP4D; Austrominal; Phenobarbitalum; Phenobarbitonum; NSC-9848; NSC-128143; NCGC00159493-02; Fenobarbitale; Fenobarbitale [DCIT]; Elixir of phenobarbital; Phenobarbitalum [INN]; DSSTox_CID_1122; Chardonna-2; DSSTox_RID_75953; DSSTox_GSID_21122; Phenylethyl barbituric acid; Fenobarbital [INN-Spanish]; Phenyl-ethyl-barbituric acid; Phenobarbitalum [INN-Latin]; WLN: T6VMVMV FHJ F2 FR; Barbinol; Fenemal recip; CAS-50-06-6; Levsin PB Drops and Tablets; CCRIS 502; Luminal (TN); phenobarbital (PB); Acido 5-fenil-5-etilbarbiturico; HSDB 3157; Acido 5-fenil-5-etilbarbiturico [Italian]; 5-Ethyl-5-phenyl-2,6(1H,3H,5H)-pyrimidinetrione; EINECS 200-007-0; 2,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-; NSC 128143; Phenobar; AI3-02726; Phenobarbital [USP:INN:BAN:JAN]; Tedral (Salt/Mix); Primidone Impurity B; Kinesed (Salt/Mix); Antrocol (Salt/Mix); Donnatal (Salt/Mix); Donnazyme (Salt/Mix); Quadrinal (Salt/Mix); Mephobarbital M (nor); Barbidonna (Salt/Mix); Bronkotabs (Salt/Mix); PHENOBARBITAL CIV; Chardonna-2 (Salt/Mix); Epitope ID:116048; BIDD:PXR0061; Oprea1_384816; SCHEMBL16583; 5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione; Methylphenobarbital, M(nor-); MLS001240232; DivK1c_000987; GTPL2804; DTXSID5021122; SCHEMBL11114624; HMS503E15; KBio1_000987; NSC9848; Phenobarbital (JP17/USP/INN); NINDS_000987; HMS2272G06; Tox21_111713; Tox21_200510; BDBM50021437; NSC128143; STL367898; ZINC95588079; component of Primatene P (Salt/Mix); Phenobarbital 0.1 mg/ml in Methanol; Phenobarbital 1.0 mg/ml in Methanol; AKOS000605404; AKOS015964976; Barbituric acid, 5-ethyl-5-phenyl-,; AB02704; DB01174; MCULE-1782264021; component of Valpin 50-PB (Salt/Mix); IDI1_000987; NSC-128143-; Levsin PB Drops and Tablets (Salt/Mix); NCGC00159493-03; NCGC00159493-04; NCGC00258064-01; SMR000058986; DB-051722; C07434; D00506; Phenobarbital solution, 1.0 mg/mL in methanol; A827956; Q407241; SR-01000313151; SR-01000313151-1; Phenobarbital, United States Pharmacopeia (USP) Reference Standard; Phenobarbital solution, 1 mg/mL in methanol, ampule of 1 mL, certified reference material; 11097-06-6; UQA"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8069	DB01174	DR00471	DR1275	232.23	C12H12N2O3	75.3	339	1.5	17	2	3	2	"1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)"	CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2	DDBREPKUVSBGFI-UHFFFAOYSA-N
DG00596	Phenytoin	1775	"Phenytoin; 5,5-DIPHENYLHYDANTOIN; 57-41-0; Diphenylhydantoin; Dilantin; 5,5-diphenylimidazolidine-2,4-dione; Phenytoine; Zentropil; Epamin; Dihydantoin; Aleviatin; Dilabid; Diphantoin; Diphenylan; Lepitoin; Diphedan; Fenylepsin; Phentytoin; Sodanton; Difenin; Dihycon; Lehydan; Diphenylhydatanoin; Dantoinal; Di-Hydan; Dilantine; Dillantin; Diphenine; Diphentyn; Ditoinate; Elepsindon; Epilantin; Fenitoina; Fenytoine; Hidantilo; Hidantina; Hidantomin; Hydantoinal; Kessodanten; Phanantin; Phanatine; Phenatoine; Sodantoin; Sylantoic; Thilophenyl; Zentronal; Auranile; Dantinal; Dantoine; Difetoin; Difhydan; Dintoin; Dintoina; Diphedal; Diphenin; Enkelfel; Epifenyl; Epihydan; Fentoin; Hidantal; Hydantal; Idantoil; Idantoin; Labopal; Phentoin; Ritmenal; Saceril; Sanepil; Silantin; Solantin; Danten; Denyl; Epelin; Epinat; Epised; Eptal; Hidan; Lepsin; Ekko; Ictalis simple; Toin unicelles; Dilantin acid; Dantoinal klinos; Om-Hydantoine; Di-Phetine; Epdantoine simple; Hidantina vitoria; Gerot-epilan-D; Epilan-D; Neosidantoina; Comitoina; Hidantina senosian; Hydantol; Minetoin; Novantoina; Causoin; Convul; Di-Lan; Ekko capsules; Neos-Hidantoina; 2,4-Imidazolidinedione, 5,5-diphenyl-; Om hidantoina simple; TOIN; Phenhydanin; Phenytex; Phenytoinum; Sinergina; Sodanthon; Iphenylhydantoin; Phenytoin-Gerot; Difenilhidantoina; Fenytoin Dak; Didan TDC 250; Dilantin-125; Epdantoin Simple; Phenytoin AWD; Epilan D; 5,5-Diphenyl-2,4-imidazolidinedione; Diphenat; Hindatal; Hydantin; Epanutin; Fenitoina [INN-Spanish]; Phenytoine [INN-French]; Phenytoinum [INN-Latin]; Difenilhidantoina [Spanish]; Diphenylhydantoine [French]; 5,5-Dwufenylohydantoina; Antisacer; Fenantoin Mn Pharma; Diphenylhydantoine; Di-Lan (VAN); PHENYTOIN SODIUM; Diphenylhydantoin (VAN); Diphentoin; DILANTIN-30; Solantoin; Solantyl; Eptoin; DPH (VAN); PHENYTEK; 5,5-Diphenylimidazolidin-2,4-dione; 5,5-Diphenyl-imidazolidine-2,4-dione; 5,5-Diphenylhydantoin (IUPAC); 5,5-Dwufenylohydantoina [Polish]; Hydantoin, 5,5-diphenyl-; CCRIS 515; CHEBI:8107; NCI-C55765; 5,5-Diphenylhydantoin (phenytoin); UNII-6158TKW0C5; Diphenylan sodium; AI3-52498; 5,5-diphenyl hydantoin; Dilantin (TN); Novophenytoin; MFCD00005264; MLS000069789; Citrulliamon; Phenitoin; 5,5-diphenyltetrahydro-1H-2,4-imidazoledione; Fenidantoin s; NSC8722; 6158TKW0C5; NSC-8722; Epasmir 5; NCGC00021139-03; SMR000059026; DSSTox_CID_541; Fenidantoin 's'; DSSTox_RID_75650; DSSTox_GSID_20541; Epasmir '5'; Didan-tdc-250; CAS-57-41-0; phenytoin (PHN); component of Mebroin; fenidantoin ''s''; epasmir ''5''; NSC 8722; EINECS 200-328-6; SR-01000075211; IFLab1_000214; Fenidantoin 's'; HSDB 3160; Episar (Salt/Mix); Epasmir '5'; Aladdin (Salt/Mix); Alepsin (Salt/Mix); Epsolin (Salt/Mix); Phenytoin (Lepitoin); Tacosal (Salt/Mix); Phenytoin [USAN:USP:INN:BAN:JAN]; Antisacer (Salt/Mix); Epdantoin (Salt/Mix); Epileptin (Salt/Mix); Hydantoin,5-diphenyl-; Spectrum_001105; Fenigramon (Salt/Mix); Citrullamon (Salt/Mix); Opera_ID_394; 2, 5,5-diphenyl-; CHEMBL16; Spectrum2_001281; Spectrum3_000890; Spectrum4_000984; Spectrum5_001369; Lopac-D-4007; Epitope ID:117723; D 4007; SCHEMBL3440; BIDD:PXR0090; Lopac0_000329; Lopac0_000378; Oprea1_373280; BSPBio_001437; KBioGR_001387; KBioSS_001585; MLS001074087; MLS002454401; BIDD:GT0625; DivK1c_000507; Soluble phenytoin (Salt/Mix); SPBio_001281; Phenytoin (JP17/USP/INN); GTPL2624; 2-hydroxy-5,5-diphenyl-3,5-dihydro-4H-imidazol-4-one; DTXSID8020541; KBio1_000507; KBio2_001585; KBio2_004153; KBio2_006721; KBio3_001780; WLN: T5MVMV EHJ ER& ER; 5,5-Diphenylhydantoin, >=99%; NINDS_000507; Phenytoin 1.0 mg/ml in Methanol; SM-88 COMPONENT PHENYTOIN; HMS1412J16; HMS1694O05; HMS1791H19; HMS1989H19; HMS2089E11; HMS2236J06; HMS3261K17; HMS3402H19; HMS3657O03; BCP05960; HY-B0448; Hydantoin, 5,5-diphenyl- (8CI); ZINC2510358; Tox21_110861; Tox21_202299; Tox21_300281; Tox21_500378; AC-376; BDBM50003655; BDBM50101816; s2525; STK058029; STK182871; STL454130; AKOS000416887; AKOS003245432; Tox21_110861_1; 5,5-diphenylimidazolidine-2,4-dione.; CCG-104011; CCG-221682; DB00252; LP00378; MCULE-2376673346; Phenytoin 1000 microg/mL in Methanol; 5,5-di(phenyl)imidazolidine-2,4-dione; IDI1_000507; IDI1_008433; NCGC00015342-01; NCGC00015342-02; NCGC00015342-03; NCGC00015342-04; NCGC00015342-05; NCGC00015342-06; NCGC00015342-07; NCGC00015342-08; NCGC00015342-09; NCGC00015342-10; NCGC00015342-11; NCGC00015342-12; NCGC00021139-01; NCGC00021139-02; NCGC00021139-04; NCGC00021139-05; NCGC00021139-06; NCGC00021139-07; NCGC00021139-08; NCGC00021139-09; NCGC00021139-10; NCGC00021139-11; NCGC00091492-01; NCGC00091492-02; NCGC00091492-03; NCGC00091492-04; NCGC00091492-05; NCGC00093810-01; NCGC00093810-02; NCGC00254135-01; NCGC00259848-01; NCGC00261063-01; 5,5- Diphenyl- 2,4- imidazolidinedione; 5,5-Diphenyl-1H-imidazolidine-2,4-dione; D0894; EU-0100378; FT-0667653; FT-0699999; P-235; SW203757-2; EN300-16818; 5,5-diphenylimidazolidine-2,4-dione;Phenytoin; C07443; D00512; E76094; 2,4-Imidazolidinedione, 5,5-diphenyl- (9CI); 5,5-diphenyl-1H-imidazole-2,4(3H,5H)-dione; AB00374253-10; AB00374253-11; AB00374253_13; A831435; Q410400; SR-01000003141; SR-01000003141-8; SR-01000075211-2; W-105468; BRD-K55930204-001-02-7; BRD-K55930204-236-11-0; Z56786458; 4-hydroxy-5,5-diphenyl-1,5-dihydro-2H-imidazol-2-one; F0020-1370; Phenytoin, European Pharmacopoeia (EP) Reference Standard; Phenytoin, United States Pharmacopeia (USP) Reference Standard; 5,5-Diphenylhydantoin solution, drug standard, 1.0 mg/mL in methanol; Phenytoin, Pharmaceutical Secondary Standard; Certified Reference Material; Phenytoin for system suitability, European Pharmacopoeia (EP) Reference Standard; Phenytoin solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8107	DB00252	DR00431	DR1282	252.27	C15H12N2O2	58.2	350	2.5	19	2	2	2	"1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)"	C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3	CXOFVDLJLONNDW-UHFFFAOYSA-N
DG00597	Actinomycin D	457193	Etoposide; Methotrexate; Actinomycin D; Cyclophosphamide; Vincristine	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00598	SL111	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00599	Grazoprevir	44603531	"Grazoprevir; 1350514-68-9; MK-5172; MK5172; UNII-8YE81R1X1J; Grazoprevir monohydrate; MK 5172; MK-5172 ANHYDROUS; MK-5172 MONOHYDRATE; 8YE81R1X1J; (1R,18R,20R,24S,27S)-24-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxamide; Grazoprevir [INN]; Grazoprevir anhydrous; MK-5172; Grazoprevir; SCHEMBL2175313; CHEMBL2063090; GTPL11573; DTXSID50159234; CHEBI:132975; EX-A2253; BDBM50485492; s3728; ZINC95551509; AKOS030253227; CCG-270451; CS-1374; DB11575; ino[11,12-b]quinoxaline-8-carboxamide; analog 15 [PMID: 24900473]; NCGC00378916-02; AC-29227; AS-55861; HY-15298; D82934; A887766; Zepatier [elbasvir (NS5A inhibitor) + grazoprevir]; Q19786991; (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-((1R,2S)-1-{[(cyclopropylsulfonyl)amino]carbonyl}-2-vinylcyclopropyl)-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide; (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropanesulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide; (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di; (1R,18R,20R,24S,27S)-24-tert-butyl-N-[(1R,2S)-1-[(cyclopropanesulfonyl)carbamoyl]-2-ethenylcyclopropyl]-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetraazapentacyclo[24.2.1.0 ,  .0 ,  .0  ,  ]nonacosa-3,5,7,9,11-pentaene-27-carboxamide; (1R,2S)-N-[[[(1R,2R)-2-[5-(3-hydroxy-6-methoxy-2-quinoxalinyl)pentyl]cyclopropyl]oxy]carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethenyl-cyclopropanecarboxamide, cyclic (1-->2)-ether;MK-5172; (33R,35S,91R,92R,5S)-5-(tert-butyl)-N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-17-methoxy-4,7-dioxo-2,8-dioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopropanacyclotetradecaphane-35-carboxamide; oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11575	.	DR0789	766.9	C38H50N6O9S	204	1580	4.7	54	3	11	8	"1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1"	CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCC[C@@H]7C[C@H]7OC(=O)N1	OBMNJSNZOWALQB-NCQNOWPTSA-N
DG00600	Vaniprevir	24765256	"Vaniprevir; vanihep; 923590-37-8; UNII-CV3X74AO1H; MK7009; MK-7009; CV3X74AO1H; Cyclopropanecarboxamide, N-(((6-(2-carboxy-2,3-dihydro-1H-isoindol-4-yl)-2,2-dimethylhexyl)oxy)carbonyl)-3-methyl-L-valyl-(4R)-4-hydroxy-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethyl-, (1-2)-lactone, (1R,2R)-; (1R,21S,24S)-21-tert-butyl-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6(11),7,9-triene-24-carboxamide; Vaniprevir [USAN:INN]; 3su6; vaniprevir; MK-7009; SCHEMBL3264200; CHEMBL4525964; GTPL11570; BDBM103836; BCP09841; MK-7009;MK 7009;Vaniprevir; ZINC95627836; CS-0340; DB11929; MK 7009; analog 35b [PMID: 20163176]; NCGC00485973-01; HY-10243; DS-017783; Q7914945"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB11929	.	.	757.9	C38H55N5O9S	189	1550	5.1	53	3	9	7	"1S/C38H55N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1"	CC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)OCC(CCCCC5=C6CN(CC6=CC=C5)C(=O)O4)(C)C)C(C)(C)C	KUQWGLQLLVFLSM-ONAXAZCASA-N
DG00601	Glecaprevir	66828839	"Glecaprevir; ABT-493; UNII-K6BUU8J72P; 1365970-03-1; K6BUU8J72P; A-1282576.0; 1365970-03-1 (free); ABT 493; (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide; (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-{(1R,2R)-2(difluoromethyl)-1-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]cyclopropyl}-20,20-difluoro5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12methanocyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10carboxamide; Glecaprevir [USAN]; Maviret; (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide; O31; ABT-493(Glecaprevir); Glecaprevir (USAN/INN); SCHEMBL883097; ABT493; CHEMBL3545363; GTPL11267; (1R,14E,18R,22R,26S,29S)-26-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-13,13-difluoro-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide; AMY38157; EX-A1940; s5720; CS-8098; DB13879; AC-33419; HY-17634; J3.646.120I; D10814; A-1282576; A-12825760; 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide; (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-((1R,2R)-2-(difluoromethyl)-1-((1-methylcyclopropane-1-sulfonyl)carbamoyl)cyclopropyl)-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta(18,19)(1,10,17,3,6)trioxadiazacyclononadecino(11,12-b)quinoxaline-10-carboxamide; (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop; (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-{(1R,2R)-2- (difluoromethyl)-1-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]cyclopropyl}-20,20-difluoro- 5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12- methanocyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10- carboxamide hydrate; Cyclopropanecarboxamide, N-((((1R,2R)-2-((4,4-difluoro-4-(3-hydroxy-2-quinoxalinyl)-2-buten-1-yl)oxy)cyclopentyl)oxy)carbonyl)-3-methyl-L-valyl-(4R)-4-hydroxy-L-prolyl-1-amino-2-(difluoromethyl)-N-((1-methylcyclopropyl)sulfonyl)-, cyclic (1->2)-ether, (1R,2R)-; ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17,"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB13879	DR01308	DR1768	838.9	C38H46F4N6O9S	204	1760	4.6	58	3	15	7	"1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1"	CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C(F)F)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5OC/C=C/C(C6=NC7=CC=CC=C7N=C6O4)(F)F)C(C)(C)C	MLSQGNCUYAMAHD-ITNVBOSISA-N
DG00602	Paritaprevir	45110509	"Paritaprevir; Veruprevir; ABT-450; Veruprevir anhydrous; ABT450; 1216941-48-8; UNII-OU2YM37K86; 1221573-85-8; OU2YM37K86; Paritaprevir(ABT-450); (2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-6-(5-methylpyrazine-2-carboxamido)-5,16-dioxo-2-(phenanthridin-6-yloxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxamide; ABT 450; Veruprevir [INN]; Paritaprevir [USAN:INN]; veruprevir (deprecated INN); SCHEMBL3069964; CHEMBL3391662; GTPL11273; AMY6938; Paritaprevir(Veruprevir ABT-450); (2R,6S,12Z,13aR,14aR,16aS)-N-(cyclopropanesulfonyl)-6-[(5-methylpyrazine-2-carbonyl)amino]-5,16-dioxo-2-[(phenanthridin-6-yl)oxy]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide; EX-A2278; s5404; AKOS025396424; ZINC197964623; CCG-270449; CS-5051; DB09297; NCGC00509859-02; (2R,6S,12Z,13aS,14aR,16aS)-N-(Cyclopropylsulfonyl)-6-(5-methylpyrazin-2-carboxamido)-5,16-dioxo-2-(phenanthridin-6-yloxy)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16atetradecahydrocyclopropa(E)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)-carboxamide; AC-33061; AS-75348; HY-12594; A857160; (1S,4R,6S,7Z,14S,18R)-N-(cyclopropanesulfonyl)-14-(5-methylpyrazine-2-amido)-2,15-dioxo-18-(phenanthridin-6-yloxy)-3,16-diazatricyclo[14.3.0.0 , ]nonadec-7-ene-4-carboxamide; (1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-14-[(5-methylpyrazine-2-carbonyl)amino]-2,15-dioxo-18-phenanthridin-6-yloxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide; (2R,6S,12Z,13aS,14aR,16aS)-N-(Cyclopropylsulfonyl)-6-{[(5-methyl-2-pyrazinyl)carbonyl]amino}-5,16-dioxo-2-(6-phenanthridinyloxy)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide; Cyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, N-(cyclopropylsulfonyl)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-6-[[(5-methyl-2-pyrazinyl)carbonyl]amino]-5,16-dioxo-2-(6-phenanthridinyloxy)-, (2R,6S,12Z,13aS,14aR,16aS)-; Veruprevir; ; ; ABT 450; ; ; (2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-6-(5-methylpyrazine-2-carboxamido)-5,16-dioxo-2-(phenanthridin-6-yloxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB09297	DR01312	.	765.9	C40H43N7O7S	198	1600	4.7	55	3	10	7	"1S/C40H43N7O7S/c1-24-21-42-33(22-41-24)35(48)43-32-16-6-4-2-3-5-11-25-20-40(25,39(51)46-55(52,53)27-17-18-27)45-36(49)34-19-26(23-47(34)38(32)50)54-37-30-14-8-7-12-28(30)29-13-9-10-15-31(29)44-37/h5,7-15,21-22,25-27,32,34H,2-4,6,16-20,23H2,1H3,(H,43,48)(H,45,49)(H,46,51)/b11-5-/t25-,26-,32+,34+,40-/m1/s1"	CC1=CN=C(C=N1)C(=O)N[C@H]2CCCCC/C=C\\[C@@H]3C[C@]3(NC(=O)[C@@H]4C[C@H](CN4C2=O)OC5=NC6=CC=CC=C6C7=CC=CC=C75)C(=O)NS(=O)(=O)C8CC8	UAUIUKWPKRJZJV-QPLHLKROSA-N
DG00603	Telaprevir	3010818	"Telaprevir; 402957-28-2; VX-950; Incivek; Telaprevir (VX-950); MP-424; Incivo; VX 950; Telavic; LY-570310; UNII-655M5O3W0U; MP 424; VRT 111950; VRT-111950; LY 570310; CHEMBL231813; CHEBI:68595; 655M5O3W0U; (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide; (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide; (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-6-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)-octahydrocyclopenta[c]pyrrole-1-carboxamide; S-Telaprevir; (1S,3aR,6aS)-(2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-((1S)-1-((cyclopropylamino)oxoacetyl)butyl)octahydrocyclopenta(c)pyrrole-1-carboxamide; VX950 cpd; Telaprevir [USAN:INN]; HSDB 8125; Incivek(TM); Telaprevir-[d4]; Incivek (TN); Incivo (TN); Telaprevir,VX-950; Telaprevir (VX950); (1S,3aR,6aS)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-1-carboxamide; VX-950 (Telaprevir); SCHEMBL183996; Telaprevir (JAN/USAN/INN); GTPL7871; DTXSID40193304; EX-A006; AIDS213006; C36H53N7O6; 569364-34-7; AIDS-213006; AOB87136; ZINC3992480; BDBM50326056; FD7166; MFCD11616089; s1538; VRT111950; AKOS005145815; CCG-270366; CS-0285; DB05521; NCGC00346545-03; (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethyl-butanoyl]-N-[(1S)-1-[2-(cyclopropylamino)-2-oxo-acetyl]butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide; AS-16995; HY-10235; W9903; WO-00218369; D09012; 957T282; Q408557; Q-101417; (1S,3aR,6aS)-(2S)-2-Cyclohexyl-N-(2-pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-[(1S)-1-[2-(cyclopropylamino)-2-oxoacetyl]butyl]octahydrocyclopenta[c]pyrrole-1-carboxamide; (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxo-hexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide; (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cydopropylamino)-1,2-dioxo-hexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide; (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-3-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)-octahydrocyclopenta[c]pyrrole-1-carboxamide; (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide; (1S,3aR,6aS)-N-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide; (3S)-3-{[(1S,3aR,6aS)-2-[(2S)-2-[(2S)-2-cyclohexyl-2-(pyrazin-2-ylformamido)acetamido]-3,3-dimethylbutanoyl]-octahydrocyclopenta[c]pyrrol-1-yl]formamido}-N-cyclopropyl-2-oxohexanamide; 2-(2-{2-Cyclohexyl-2-[(pyrazine-2-carbonyl)-amino]-acetylamino}-3,3-dimethyl-butyryl)-octahydro-cyclopenta[c]pyrrole-1-carboxylic acid (1-cyclopropylaminooxalyl-butyl)-amide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:68595	DB05521	DR00702	DR1543	679.8	C36H53N7O6	180	1240	4.2	49	4	8	14	"1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1"	CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5	BBAWEDCPNXPBQM-GDEBMMAJSA-N
DG00604	Boceprevir	10324367	"Boceprevir; 394730-60-0; Victrelis; SCH 503034; EBP 520; UNII-89BT58KELH; SCH503034; SCH-503034; 89BT58KELH; CHEBI:68621; EBP-520; 3-{[(1R,2S,5S)-3-[(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-4-cyclobutyl-2-oxobutanamide; (1R,2S,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-((S)-2-(3-(tert-butyl)ureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide; (1R,2S,5S)-N-(4-AMINO-1-CYCLOBUTYL-3,4-DIOXOBUTAN-2-YL)-3-[(2S)-2-(TERT-BUTYLCARBAMOYLAMINO)-3,3-DIMETHYLBUTANOYL]-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE; (1R,2S,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide; (1S,4S,5R)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxo-propyl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide; Boceprevir [USAN:INN]; HSDB 8081; Victrelis(TM); Victrelis (TN); Boceprevir & NM107; Boceprevir (INN/USAN); SCHEMBL640836; CHEMBL218394; EBP520; GTPL7876; BDBM12311; DTXSID30960103; BCP02502; EX-A1336; MFCD22208555; s3733; AKOS005145787; EBP-520;SCH503034; CCG-269852; CS-0361; DB08873; DT-0021; NCGC00378631-01; BOC; HY-10237; SCH 503034 & NM107; D08876; Q410551; J-519910; (1R,2S,5S)-N-(3-Amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-((2S)-2-(((1,1-dimethylethyl)carbamoyl)amino)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexane-2-carboxamide; (1r,5s)-n-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[2(s)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(s)-carboxamide; 3-Azabicyclo(3.1.0)hexane-2-carboxamide, N-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-((2S)-2-((((1,1- dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6- dimethyl-, (1R,2S,5S)-; 3-azabicyclo[3.1.0]hexane-2-carboxamide, N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[(2S)-2-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-, (1R,2S,5S)-; N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide; N-(4-Amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-{N-[(tert-butylamino)(hydroxy)methylidene]-3-methylvalyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboximidic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:68621	DB08873	DR01333	DR0218	519.7	C27H45N5O5	151	959	3.1	37	4	5	10	"1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16 ,17-,18-,20+/m0/s1"	CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)N)C	LHHCSNFAOIFYRV-DOVBMPENSA-N
DG00605	Voxilaprevir	89921642	"Voxilaprevir; 1535212-07-7; GS9857; UNII-0570F37359; (1R,18R,20R,24S,27S,28S)-24-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-28-ethyl-13,13-difluoro-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxamide; 0570F37359; GS-9857; Voxilaprevir [USAN:INN]; Voxilaprevir (USAN/INN); C40H52F4N6O9S; CHEMBL4474855; SCHEMBL15412621; EX-A5390; DB12026; HY-19840; CS-0017027; J3.665.048F; D10899; Q27236086; (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1 R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-18,18-difluoro-14- methoxy-3,6-dioxo-1,1a,3,4,5,6,9,1 0,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19]; L9P"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12026	DR01315	DR1714	868.9	C40H52F4N6O9S	204	1780	5.9	60	3	15	9	"1S/C40H52F4N6O9S/c1-7-22-27-19-50(28(22)32(51)48-39(18-23(39)31(41)42)35(53)49-60(55,56)38(5)14-15-38)34(52)30(37(2,3)4)47-36(54)59-26-16-20(26)10-8-9-13-40(43,44)29-33(58-27)46-25-17-21(57-6)11-12-24(25)45-29/h11-12,17,20,22-23,26-28,30-31H,7-10,13-16,18-19H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t20-,22-,23+,26-,27+,28+,30-,39-/m1/s1"	CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCC(C6=NC7=C(C=C(C=C7)OC)N=C6O2)(F)F)C(C)(C)C	MZBLZLWXUBZHSL-FZNJKFJKSA-N
DG00606	Asunaprevir	16076883	"Asunaprevir; 630420-16-5; BMS-650032; BMS 650032; UNII-S9X0KRJ00S; BMS650032; S9X0KRJ00S; 1,1-dimethylethyl ((1S)-1-{((2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yloxy)-2-({(1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-ethenylcyclopropyl}carbamoyl) pyrrolidin-1-yl)carbonyl}-2,2-dimethylpropyl)carbamate; Asunaprevir (BMS-650032); sunvepra; N-(Tert-Butoxycarbonyl)-3-Methyl-L-Valyl-(4r)-4-[(7-Chloro-4-Methoxyisoquinolin-1-Yl)oxy]-N-{(1r,2s)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-Ethenylcyclopropyl}-L-Prolinamide; tert-butyl ((S)-1-((2S,4R)-4-((7-chloro-4-methoxyisoquinolin-1-yl)oxy)-2-(((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate; tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yl)oxy-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate; Asunaprevir [USAN:INN]; Sunvepratrade; Sunvepra (TN); 2R9; tert-butyl N-[(1S)-1-[(2S,4R)-4-[(7-chloro-4-methoxy-1-isoquinolyl)oxy]-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamate; Asunaprevir (JAN/USAN); Asunaprevir; BMS-650032; SCHEMBL2630655; CHEMBL2105735; GTPL10882; EX-A386; CHEBI:134723; (1R,2S)-N-[(1,1-Dimethylethoxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethenylcyclopropanecarboxamide; AMY38775; BCP08230; BDBM50287594; MFCD27987900; ZINC85540202; AKOS037515831; CS-0674; DB11586; compound 24 [PMID: 24564672]; NCGC00378691-02; NCGC00378691-05; HY-14434; Asunaprevir;BMS650032;BMS-650032; D10093; A857563; Q4811881; 1,1-Dimethylethyl ((1S)-1-(((2S,4R)-4-(7-chloro-4methoxyisoquinolin-1-yloxy)-2- (((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-ethenylcyclopropyl)carbamoyl) pyrrolidin-1-yl)carbonyl)-2,2-dimethylpropyl)carbamate; BMS650032;(1R,2S)-N-[(1,1-Dimethylethoxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethenylcyclopropanecarboxamide; Carbamic acid, [(1S)-1-[[(2S,4R)-4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-2-[[[(1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]amino]carbonyl]-1-pyrrolidinyl]carbonyl]-2,2-dimethylpropyl]-, 1,1-dimethylethyl ester; Cyclopropanecarboxamide, N-((1,1-dimethylethoxy)carbonyl)-3-methyl-L-valyl-(4R)-4- ((7-chloro-4-methoxy-1-isoquinolinyl)oxy)-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2- ethenyl-, (1R,2S)-; Cyclopropanecarboxamide, N-((1,1-dimethylethoxy)carbonyl)-3-methyl-L-valyl-(4R)-4-((7-chloro-4-methoxy-1-isoquinolinyl)oxy)-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethenyl-, (1R,2S)-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:134723	DB11586	DR00075	DR0148	748.3	C35H46ClN5O9S	191	1470	4.9	51	3	10	14	"1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1"	CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=C(C5=C4C=C(C=C5)Cl)OC)NC(=O)OC(C)(C)C	XRWSZZJLZRKHHD-WVWIJVSJSA-N
DG00607	Simeprevir	24873435	"SIMEPREVIR; Olysio; TMC435; 923604-59-5; TMC435350; TMC-435; TMC 435; TMC 435350; TMC-435350; Simeprevir sodium; CHEMBL501849; UNII-9WS5RD66HZ; (1R,4R,6S,7Z,15R,17R)-N-cyclopropylsulfonyl-17-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide; (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide; 9WS5RD66HZ; HCV-PI; SCHEMBL826061; GTPL7367; C38H47N5O7S2; CHEBI:134743; N-cyclopropylsulfonyl-[[2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methyl-4-quinolyl]oxy]-methyl-dioxo-[ ]carboxamide; 4041AH; BDBM50336504; s5015; ZINC85540268; AKOS025401966; CCG-270435; AC-27651; AS-56205; TMC-00435350; TMC-435, TMC-435350; US8741926, 47; US8754106, 47; Q7517689; (2R,3aR,10Z,11aS,12aR,14aR)-N-(Cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide; (2R,3aR,10Z,12S,13R,15aR)-N-(Cyclopropylsulfonyl)-2-[[2-(4-isopropylthiazole-2-yl)-7-methoxy-8-methyl-4-quinolyl]oxy]-5-methyl-4,15-dioxo-2,3,3a,4,5,6,7,8,9,12,13,14,15,15a-tetradecahydro-12,13-methano-5,14-diaza-1H-cyclopentacyclotetradecene-13-carboxamide; (2R,3aR,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-(2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yloxy)-5-methyl-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,12a,13,14,14a-hexadecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a-carboxamide; (2R,3aR,11aS,12aR,14aR,Z)-N-(cyclopropylsulfonyl)-2-((2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yl)oxy)-5-methyl-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,12a,13,14,14a-hexadecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a-carboxamide; (2R,3aR,11aS,12aR,14aR,Z)-N-(cyclopropylsulfonyl)-2-(2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yloxy)-5-methyl-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,12a,13,14,14a-hexadecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a-carboxamide; N-[17-[2-(4-isopropylthiazole-2-yl)-7-methoxy-8-methylquinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo [13.3.0.0''4,6]octadec-7-ene-4-carbonyl](cyclopropyl)sulfonamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:134743	DB06290	DR00014	.	749.9	C38H47N5O7S2	194	1490	4.8	52	2	10	8	"1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1"	CC1=C(C=CC2=C1N=C(C=C2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\\[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC	JTZZSQYMACOLNN-VDWJNHBNSA-N
DG00608	Oseltamivir	65028	"Oseltamivir; 196618-13-0; Tamvir; Tamiflu-Free; GS-4104; (-)-oseltamivir; GS 4104; GS4104; HSDB 7433; Agucort; UNII-20O93L6F9H; (3R,4R,5S)-Ethyl 4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate; Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate; ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate; GOP-A-Flu; Ro-640796; Ro-64-0796; CHEBI:7798; 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R-(3alpha,4beta,5alpha))-; 20O93L6F9H; Ro 640796; ebilfumin; Oseltamivir [INN:BAN]; oseltamivirum; ethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate; Agucort (TN); Oseltamivir (INN); Tamiflu (*Phosphate salt 1:1*); SR-05000001499; oseltamivir-phosphate; CHEMBL1229; SCHEMBL32035; BIDD:GT0426; BDBM5025; GS-4071 ETHYL ESTER; DTXSID9044291; GTPL11427; HMS2090C11; EX-A3415; ZINC3929508; AKOS015843442; AKOS015960501; CS-0552; DB00198; DT-0013; MCULE-1441617774; ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylate; ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate; ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxy-cyclohexene-1-carboxylate; Ethyl (5S,3R,4R)-4-(acetylamino)-5-amino-3-(ethylpropoxy)cyclohex-1-enecarboxylate; NCGC00095191-06; NCGC00095191-12; NCGC00095191-16; NCGC00178698-01; NCGC00178698-02; NCGC00178698-04; 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-; HY-13317; RO640796; Oseltamivir 100 microg/mL in Acetonitrile; RO64-0796; C08092; D08306; AB00173476-02; AB00173476_04; 618O130; AR-270/43507961; Q211509; SR-05000001499-1; BRD-K76011241-045-01-5; Ethyl (3R, 4R, 5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate; ethyl 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate; (3r,4r,5s)-4-acetylamino-5-amino-3(1-ethylpropoxy) -1-cyclohexene-1-carboxylic acid ethyl ester; (3R,4R,5S)-4-acetylamino-5-amino-3-(1-ethyl-propoxy)-cyclohex-1-enecarboxylic acid ethyl ester; (3R,4R,5S)-4-acetylamino-5-amino-3-(1-ethyl-propoxy)cyclohex-1-enecarboxylic acid ethyl ester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7798	DB00198	DR00250	.	312.4	C16H28N2O4	90.6	418	1.1	22	2	5	8	"1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1"	CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC	VSZGPKBBMSAYNT-RRFJBIMHSA-N
DG00609	Bucillamine	656604	"Bucillamine; 65002-17-7; Rimatil; Tiobutarit; N-(2-Mercapto-2-methylpropionyl)-L-cysteine; De-019; UNII-R80LRA5WTF; (R)-3-mercapto-2-(2-mercapto-2-methylpropanamido)propanoic acid; N-(2-Mercapto-2-methylpropanoyl)-L-cysteine; R80LRA5WTF; N-(2-Mercapto-2-methyl-1-oxopropyl)-L-cysteine; (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid; CHEMBL80830; L-CYSTEINE, N-(2-MERCAPTO-2-METHYL-1-OXOPROPYL)-; DSSTox_CID_28513; DSSTox_RID_82785; DSSTox_GSID_48587; SA96; Bucilamina; Bucillaminum; (R)-3-Mercapto-2-(2-mercapto-2-methylpropanamido)-propanoic acid; CAS-65002-17-7; Bucilamina [Spanish]; Bucillaminum [Latin]; Bucillamine [INN:JAN]; Bucilant; C7H13NO3S2; CCRIS 5260; N-(2-Mercaptoisobutyryl)cysteine; SA-96; NCGC00182062-02; NCGC00183271-01; Bucilant (TN); N-(2-Mercaptoisobutyryl)-L-cysteine; Bucillamine (JP17/INN); MLS006010100; SCHEMBL121965; DTXSID2048587; CHEBI:31312; ZINC20222; QCR-239; BCP12127; Tox21_112916; Tox21_113147; BDBM50406934; MFCD00867570; RB3025; AKOS015841445; AKOS015895462; AM62722; DB12160; KS-1449; AC-32465; K055; SMR004701240; D01809; 002B177; A834941; SR-01000883966; Q-101254; Q4982752; SR-01000883966-1; (2R)-2-[(2-methyl-2-sulfanyl-propanoyl)amino]-3-sulfanyl-propanoic acid; (2R)-3-mercapto-2-[(2-mercapto-2-methyl-1-oxopropyl)amino]propanoic acid"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:31312	DB12160	.	.	223.3	C7H13NO3S2	68.4	218	0.4	13	4	5	4	"1S/C7H13NO3S2/c1-7(2,13)6(11)8-4(3-12)5(9)10/h4,12-13H,3H2,1-2H3,(H,8,11)(H,9,10)/t4-/m0/s1"	CC(C)(C(=O)N[C@@H](CS)C(=O)O)S	VUAFHZCUKUDDBC-BYPYZUCNSA-N
DG00610	Betamethasone	9782	"Betamethasone; 378-44-9; Betadexamethasone; Flubenisolone; Betamethazone; Rinderon; Visubeta; Betacorlan; Betacortril; Betamamallet; Betametasone; Betapredol; Betasolon; Betnelan; Betsolan; Celestene; Methazon; Becort; Bedifos; Cidoten; beta-Methasone; Desacort-Beta; Rinderon A; beta-Methasone alcohol; Betametasona; Betamethasonum; Bebate; 9alpha-Fluoro-16beta-methylprednisolone; SCH 4831; Dermabet; 9-Fluoro-16beta-methylprednisolone; NSC-39470; SCH-4831; UNII-9842X06Q6M; Betafluorene; Betamethasone (Celestone); MFCD00062969; 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione; Betamethasone cream; MLS000859943; CHEBI:3077; Betamethasone alcohol; Betametasone [DCIT]; NCS-39470; 9842X06Q6M; (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; NCGC00164401-01; SMR000058601; Celestone Syrup and Tablets; Betametasona [INN-Spanish]; Betamethasonum [INN-Latin]; DSSTox_CID_2667; 9a-Fluoro-11b,17a,21-trihydroxy-16b-methylpregna-1,4-diene-3,20-dione; 16beta-Methyl-1,4-pregnadiene-9alpha-fluoro-11beta,17alpha,21-triol-3,20-dione; DSSTox_RID_76681; DSSTox_GSID_22667; (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11.beta.,16.beta.)-; .beta.-Methasone; 9-Fluoro-16.beta.-methylprednisolone; (11beta,16beta)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione; Rinderon (TN); .beta.-Methasone alcohol; 9.alpha.-Fluoro-16.beta.-methylprednisolone; 9-alpha-Fluoro-16-beta-methylprednisolone; HSDB 3015; EINECS 206-825-4; NSC 39470; Prednisolone, 9-fluoro-16beta-methyl-; BRN 3176546; NSC39470; Desacort-.beta.; .beta.-Corlan; 9alpha-Fluoro-11beta,17alpha,21-trihydroxy-16beta-methyl-1,4-pregnadiene-3,20-dione; NCGC00091019-08; CAS-378-44-9; Prestwick_703; Prednisolone, 9-fluoro-16.beta.-methyl-; 9-Fluoro-11-beta,17,21-trihydroxy-16-beta-methylpregna-1,4-diene-3,20-dione; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11beta,16beta)-; Betamethasone, topical; Betamethasone [USAN:USP:INN:BAN:JAN]; Corticosterone, 1-dehydro-9-fluoro-17-hydroxy-16beta-methyl-; Betamethasone, >=98%; Prestwick0_000362; Prestwick1_000362; Prestwick2_000362; Prestwick3_000362; CHEMBL632; EC 206-825-4; cid_9782; SCHEMBL4565; 16-beta-Methyl-1,4-pregnadiene-9-alpha-fluoro-11-beta,17-alpha,21-triol-3,20-dione; 9-alpha-Fluoro-16-beta-methyl-1,4-pregnadiene-11-beta,17-alpha,21-triol-3,20-dione; Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17,21-trihydroxy-16beta-methyl-; BIDD:PXR0047; BSPBio_000483; 4-08-00-03501 (Beilstein Handbook Reference); MLS001066413; MLS001332616; MLS002153244; SPBio_002404; Corticosterone, 1-dehydro-9-fluoro-17-hydroxy-16.beta.-methyl-; BPBio1_000533; GTPL7061; DTXSID3022667; BDBM73823; Betamethasone (JP17/USP/INN); BCPP000345; HMS1569I05; HMS2096I05; HMS2233I08; HMS3713I05; BCP02020; ZINC3876136; Tox21_112115; Tox21_301455; s1500; AKOS008901360; AKOS015894863; Tox21_112115_1; BCP9000393; CCG-220362; CS-1897; DB00443; KS-5302; 9-Fluoro-11.beta.,17,21-trihydroxy-16.beta.-methylpregna-1,4-diene-3,20-dione; SMP1_000043; Betamethasone Dipropionate EP Impurity A; NCGC00164401-02; NCGC00164401-03; NCGC00255195-01; HY-13570; Betamethasone 100 microg/mL in Acetonitrile; D1961; Betamethasone, meets USP testing specifications; C06848; D00244; D88866; 378M449; Betamethasone, VETRANAL(TM), analytical standard; Q416132; SR-01000780582; SR-01000780582-2; W-106509; BRD-K39188321-001-03-9; Betamethasone, British Pharmacopoeia (BP) Reference Standard; Betamethasone, European Pharmacopoeia (EP) Reference Standard; Betamethasone, pharmaceutical impurity standard, >=95.0% (HPLC); Betamethasone, United States Pharmacopeia (USP) Reference Standard; (11.beta.,16.beta.)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione; 9-.alpha.-Fluoro-11-.beta.,17,21-trihydroxy-16-.beta.-methylpregna-1,4-diene-3,20-dione; 9-alpha-Fluor-11-beta,17-alpha,21-trihydroxy-16-beta-methylpregna-1,4-dien-3,20-dion; 9-fluoro-16beta-methyl-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione; 9alpha-Fluoro-11beta,17alpha,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione; 9alpha-Fluoro-16beta-methyl-11beta,17alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione; Betamethasone, Pharmaceutical Secondary Standard; Certified Reference Material; Pregna-1,4-diene-3,20-dione, 9-fluoro-11.beta.,17,21-trihydroxy-16.beta.-methyl-; Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17,21-trihydroxy-16beta-methyl- (8CI); Pregna-1,4-diene-3,20-dione, 9alpha-fluoro-11beta,17alpha,21-trihydroxy-16beta-methyl-; (1R,2S,10S,11S,13S,14R,15S,17S)-1-fluoro-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one; 16-.beta.-Methyl-1,4-pregnadiene-9-.alpha.-fluoro-11-.beta.,17-.alpha.,21-triol-3,20-dione; 9-.alpha.-Fluoro-11-.beta.,17-.alpha.,21-trihydroxy-16-.beta.-methylpregna-1,4-diene-3,20-dione; 9-.alpha.-Fluoro-16-.beta.-methyl-1,4-pregnadiene-11-.beta.,17-.alpha.,21-triol-3,20-dione; 9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione, (11.beta.,16.beta.) #; Betamethasone; 9-Fluoro-11 ,17,21-trihydroxy-16 -methylpregna-1,4-diene-3,20-dione; (11 ,16 )-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione; 9 -Fluoro-16 -methylprednisolone"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3077	DB00443	DR01392	.	392.5	C22H29FO5	94.8	805	1.9	28	3	6	2	"1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1"	C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C	UREBDLICKHMUKA-DVTGEIKXSA-N
DG00611	Methylprednisolone	6741	"Methylprednisolone; 83-43-2; Medrol; Metilprednisolone; Medrone; Urbason; 6alpha-Methylprednisolone; Metilbetasone; Medrate; Dopomedrol; Promacortine; Besonia; Medesone; Mesopren; Metastab; Metrisone; Moderin; Noretona; Solomet; Urbasone; Wyacort; Methylprednisolon; Methyleneprednisolone; Metilprednisolone [DCIT]; delta(1)-6alpha-Methylhydrocortisone; 1-Dehydro-6alpha-methylhydrocortisone; Metilprednisolona; Methylprednisolonum; NSC-19987; Methylprednisolonum [INN-Latin]; Metilprednisolona [INN-Spanish]; 6-alpha-Methylprednisolone; Suprametil; Medrol dosepak; Medrol adt pak; 6alpha-Methyl-11beta,17alpha,21-triol-1,4-pregnadiene-3,20-dione; UNII-X4W7ZR7023; CHEBI:6888; 11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione; (6alpha,11beta)-11,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione; (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one; Prednisolone, methyl-; Methylprednisolone, 6-alpha; 11beta,17alpha,21-Trihydroxy-6alpha-methyl-1,4-pregnadiene-3,20-dione; 6alpha-Methylprednisolone base; U 7532; MLS000028541; (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one; Sieropresol; Esametone; Firmacort; Medixon; Metrocort; Metysolon; Nirypan; Reactenol; Artisone-wyeth; X4W7ZR7023; MEPRDL; Predni N Tablinen; Medlone 21; SMR000058330; 6alpha-Methyl-11beta,17alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione; DSSTox_CID_3300; Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-6-methyl-, (6a,11b)-; Prednol- L; DSSTox_RID_76965; DSSTox_GSID_23300; Depo-Medrol (acetate); Summicort; CAS-83-43-2; Prednisolone, 6alpha-methyl-; HSDB 3127; MLS002638721; EINECS 201-476-4; Prednisolone, 6.alpha.-methyl-; BRN 2340300; delta(sup 1)-6-alpha-Methylhydrocortisone; .DELTA.1-6.alpha.-Methylhydrocortisone; NCGC00016330-01; Prestwick_622; Medrol (TN); Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-6-methyl-, (6alpha,11beta)-; 6 -Methylprednisolone; Methylprednisolone [USP:INN:BAN:JAN]; Opera_ID_1576; Prestwick0_000279; Prestwick1_000279; Prestwick2_000279; Prestwick3_000279; 6alpha-methyl prednisolone; 11-beta,17,21-Trihydroxy-6-alpha-methylpregna-1,4-diene-3,20-dione; Pregna-1,4-diene-3,20-dione, 11beta,17,21-trihydroxy-6alpha-methyl-; CHEMBL650; EC 201-476-4; 6.alpha.-Methylprednisolone; SCHEMBL5084; BSPBio_000158; 4-08-00-03498 (Beilstein Handbook Reference); MLS001148159; MLS002207191; SPBio_002377; BPBio1_000174; GTPL7088; DTXSID7023300; HMS1568H20; HMS2090B13; HMS2095H20; HMS2230D16; HMS3259J04; HMS3712H20; 6alpha-Methylprednisolone, >=98%; HY-B0260; NSC19987; ZINC3875560; Tox21_110376; Tox21_302018; BDBM50103616; LMST02030178; Methylprednisolone (JP17/USP/INN); MFCD00010591; s1733; AKOS015969744; Pregna-1,4-diene-3,20-dione, 6-alpha-methyl-11-beta-17,21-trihydroxy-; Tox21_110376_1; CCG-220279; DB00959; J3.872E; KS-1273; NC00691; NCGC00022735-03; NCGC00022735-06; NCGC00255269-01; H972; NCI60_001657; M1665; C16437; D00407; 010M591; A855290; Q417222; SR-01000003089; Q-201395; SR-01000003089-2; BRD-K35240538-001-03-1; BRD-K35240538-001-11-4; BRD-K35240538-001-26-2; 6-alpha-Methylprednisolone 100 microg/mL in Acetonitrile; 6alpha-Methylprednisolone, VETRANAL(TM), analytical standard; 11 ,17 ,21-Trihydroxy-6 -methyl-1,4-pregnadiene-3,20-dione; 11beta,17,21-trihydroxy-6alpha-methyl-1,4-pregnadiene-3,20-dione; Methylprednisolone, British Pharmacopoeia (BP) Reference Standard; Methylprednisolone, European Pharmacopoeia (EP) Reference Standard; Pregna-1,20-dione, 11.beta.,17,21-trihydroxy-6.alpha.-methyl-; Pregna-1,20-dione, 6.alpha.-methyl-11.beta.-17,21-trihydroxy-; (6 ,11 )-11,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione; (6a,11b)-11,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione; 11beta,17alpha,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione; Methylprednisolone, United States Pharmacopeia (USP) Reference Standard; Methylprednisolone for system suitability A, EuropePharmacopoeia (EP) Reference Standard; Methylprednisolone for system suitability, European Pharmacopoeia (EP) Reference Standard; Methylprednisolone, Pharmaceutical Secondary Standard; Certified Reference Material; Pregna-1,20-dione, 11,17,21-trihydroxy-6-methyl-, (6.alpha.,11.beta.)-; Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-6-methyl-, (6I+/-,11I(2))-; Pregna-1,4-diene-3,20-dione, 11beta,17,21-trihydroxy-6alpha-methyl- (8CI)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6888	DB00959	DR00128	DR1056	374.5	C22H30O5	94.8	754	1.9	27	3	5	2	"1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1"	C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O	VHRSUDSXCMQTMA-PJHHCJLFSA-N
DG00612	Hydrocortisone	5754	"Hydrocortisone; Cortisol; 50-23-7; Acticort; Cetacort; Hydrasson; Hydrocortisyl; Cobadex; Cortef; Hydrocortone; Hycort; Hytone; Signef; 17-Hydroxycorticosterone; Optef; Kendall's compound F; Cortanal; Cortenema; Corticreme; Cortifan; Cortiment; Cortispray; Cortonema; Dermacort; Dermolate; Efcorbin; Efcortelan; Ficortril; Genacort; Hycortol; Hycortole; Permicort; Proctocort; Tarcortin; Traumaide; Alacort; Cleiton; Cortril; Dihydrocostisone; Hytone lotion; Hidro-Colisona; Hydro-Adreson; Scheroson F; Incortin-H; Reichstein's substance M; Cort-Dome; Domolene-HC; Epiderm H; Esiderm H; Otosone-F; Polcort H; Cortolotion; Cortoxide; Cremesone; Eldercort; Heb-Cort; Maintasone; Delacort; Dioderm; Eldecort; Epicort; Mildison; Penecort; Rectoid; Anflam; Hydrocorticosterone; Hydroxycortisone; H-Cort; Hydro-Colisona; Cortisol alcohol; Incortin-hydrogen; Ala-Scalp; Aeroseb-HC; Barseb HC; Dermocortal; Nutracort; Synacort; Timocort; Evacort; Komed HC; Hydrocortisone base; Lacticare-HC; Texacort lotion 25; Ala-Cort; Anti-inflammatory hormone; Hydrocortisone alcohol; Algicirtis; Aquacort; Cortesal; Cortisolonum; Flexicort; Hidalone; Hytisone; Kyypakkaus; Lactisona; Lubricort; Meusicort; Milliderm; Sanatison; Schericur; Sigmacort; Stiefcorcil; Texacort; Amberin; Cutisol; Dermil; Uniderm; Foille Insetti; Gyno-Cortisone; Transderma H; Basan-Corti; Clear aid; Cremicort-H; Dome-cort; Neosporin-H Ear; Remederm HC; Aquanil HC; Cortisporin Otico; Derm-Aid; Heb Cort; Scalpicin Capilar; Systral Hydrocort; Prevex HC; Cortisporin; Efcortelin; Fiocortril; Hidrocortisona; Hydrocortisone free alcohol; Hydrocortisonum; Proctofoam; Alphaderm; Hydracort; Medicort; Otocort; Zenoxone; Drotic; Vytone; 11beta-Hydroxycortisone; Nystaform-HC; Aeroseb HC; CaldeCORT Spray; Pediotic Suspension; VoSol HC; Idrocortisone; 17alpha-Hydroxycorticosterone; Hydrocortal; Hydroskin; Otalgine; Otobiotic; Protocort; Hysone; Racet; Ef corlin; 11beta-Hydrocortisone; Compound F; Lacticare HC; Compound F (kendall); 11-beta-Hydrocortisone; 11-beta-Hydroxycortisone; Hydrocortisone (Cortisol); Chronocort; Hydrocort; Plenadren; Preparation H Hydrocortisone Cream; Neo-Cort-Dome; 11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione; Otic-Neo-Cort-Dome; 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione; NSC 10483; HC; UNII-WI4X0X7BPJ; [3H]cortisol; (11beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione; Prestwick_265; (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; 4-Pregnene-11beta,17alpha,21-triol-3,20-dione; CHEBI:17650; 11beta,17alpha,21-Trihydroxypregn-4-ene-3,20-dione; NSC10483; 11.beta.-Hydrocortisone; Dermaspray; MFCD00011654; NSC-10483; WI4X0X7BPJ; 11beta,17,21-Trihydroxyprogesterone; 11.beta.-Hydroxycortisone; Ophthocort; Terra-cortril; MLS000069609; 17.alpha.-Hydroxycorticosterone; Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11beta)-; 4-Pregnen-11beta,17alpha,21-triol-3,20-dione; Idrocortisone [DCIT]; Genacort (lotion); Anucort; Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11b)-; Prepcort; SMR000059022; DSSTox_CID_714; Hydrocortisonum [INN-Latin]; Proctozone HC; Scalp-Cort; Hidrocortisona [INN-Spanish]; Rectasol-HC; Anucort-HC; Hydro-RX; DSSTox_RID_75753; DSSTox_GSID_20714; (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one; HC (HYDROCORTISONE); Corhydron; (11alpha,14beta)-11,17,21-Trihydroxypregn-4-Ene-3,20-Dione; DuoCort; HYDROCORTISONE IN ABSORBASE; Proctosol-HC; HC #1; HC #4; Acticort (TN); Colocort (TN); (1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one; SMR000653523; Cortef (TN); Hytone (TN); Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11.beta.)-; CCRIS 5854; component of Otalgine; Anusol HC (TN); component of Lubricort; COR-OTICIN; HSDB 3339; EINECS 200-020-1; component of Neo-Cort-Dome; Cortizol; Efmody; AI3-25006; 3h-cortisol; 11beta-cortisol; CAS-50-23-7; 11-Hydrocortisone; Plenadren (TN); NCGC00022848-06; 11b-Hydrocortisone; Kendalls compound F; Hydrocortisone [USP:INN:BAN:JAN]; Drotic (Salt/Mix); 11b-Hydroxycortisone; Otocort (Salt/Mix); Pregn-4-ene-3,20-dione, 11beta,17,21-trihydroxy-; Otalgine (Salt/Mix); Hydrocortisone, 98%; 11,17,21-Trihydroxypregn-4-ene-3,20-dione; Alphaderm (Salt/Mix); Hydrocortisone, topical; Otobiotic (Salt/Mix); Reichsteins substance M; 4p6x; Cort-Quin (Salt/Mix); Cortisporin (Salt/Mix); VoSol HC (Salt/Mix); 11a-Hydroxycorticosterone; 17a-Hydroxycorticosterone; Opera_ID_1292; Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11-beta)-; Prestwick0_000447; Prestwick1_000447; Prestwick2_000447; Prestwick3_000447; Epitope ID:174851; UPCMLD-DP133; EC 200-020-1; H 4001; SCHEMBL4148; Neo-Cort-Dome (Salt/Mix); Lopac0_000594; 11alpha-Hydroxycorticosterone; BSPBio_000494; MLS001148103; MLS002207135; MLS002222189; MLS002548868; SPBio_002433; BPBio1_000544; CHEMBL389621; GTPL2868; Pediotic Suspension (Salt/Mix); DTXSID7020714; UPCMLD-DP133:001; BDBM13775; Otic-Neo-Cort-Dome (Salt/Mix); 2v95; Hydrocortisone (JP17/USP/INN); HMS1569I16; HMS2090M04; HMS2096I16; HMS2230B18; HMS2235F17; HMS3259C05; HMS3261H10; HMS3713I16; Hydrocortisone, >=98% (HPLC); Vioform-Hydrocortisone (Salt/Mix); 11b,17,21-Trihydroxyprogesterone; BCP09054; HY-N0583; Tox21_110883; Tox21_200815; Tox21_500594; LMST02030001; s1696; ZINC13540519; AKOS001582651; Tox21_110883_1; CCG-204683; DB00741; LP00594; MCULE-8953627920; NC00456; SDCCGSBI-0050576.P003; 11.beta.,17,21-trihydroxyprogesterone; SMP1_000156; NCGC00022848-07; NCGC00022848-09; NCGC00022848-10; NCGC00022848-11; NCGC00022848-12; NCGC00022848-13; NCGC00022848-14; NCGC00022848-15; NCGC00022848-17; NCGC00022848-26; NCGC00258369-01; NCGC00261279-01; (1S,10S,11S,15S,17S,2R,14R)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl tetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-6-en-5-one; (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one; AC-12902; AS-11651; BP-20390; NCI60_000118; 4-Pregnene-11alpha,21-triol 3,20-dione; B1951; EU-0100594; 4-Pregnene-11b,17a,21-triol-3,20-dione; 50H237; C00735; D00088; J10114; U 1851; Hydrocortisone, meets USP testing specifications; Pregn-4-ene-3, 11.beta.,17,21-trihydroxy-; 11 ,17 ,21-Trihydroxypregn-4-ene-3,20-dione; A929789; Hydrocortisone, VETRANAL(TM), analytical standard; Q190875; SR-01000000139; Q-201211; SR-01000000139-3; 11.beta.,17,21-Trihydroxypregn-4-ene-3,20-dione; BRD-K93568044-001-03-1; BRD-K93568044-001-11-4; BRD-K93568044-001-32-0; Hydrocortisone, BioReagent, suitable for cell culture; 4-Pregnen-11.beta.,17.alpha.,21-triol-3,20-dione; 4-Pregnene-11.beta.,17.alpha.,21-triol-3,20-dione; Pregn-4-ene-3,20-dione, 11.beta.,17,21-trihydroxy-; Z2786051549; (11beta)-11,17,21-Trihydroxy-pregn-4-ene-3,20-dione; 11.beta.,17.alpha.,21-Trihydroxy-4-pregnene-3,20-dione; 11.beta.,17.alpha.,21-Trihydroxypregn-4-ene-3,20-dione; B48448A1-24BA-47CA-8D9E-43E5BC949386; Hydrocortisone, British Pharmacopoeia (BP) Assay Standard; Pregn-4-ene-3, 11,17,21-trihydroxy-, (11.beta.)-; 11,17,21-Trihydroxypregn-4-ene-3,20-dione, (11.beta.)-; Hydrocortisone, European Pharmacopoeia (EP) Reference Standard; Hydrocortisone, United States Pharmacopeia (USP) Reference Standard; Hydrocortisone-Water Soluble, BioReagent, suitable for cell culture; Hydrocortisone, gamma-irradiated, powder, BioXtra, suitable for cell culture; 4-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide; Cortisol solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; Hydrocortisone for peak identification, European Pharmacopoeia (EP) Reference Standard; Hydrocortisone solution, 50 muM, sterile-filtered, BioXtra, suitable for cell culture; Hydrocortisone, Pharmaceutical Secondary Standard; Certified Reference Material; (10R,13S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17650	DB00741	DR00230	DR0819	362.5	C21H30O5	94.8	684	1.6	26	3	5	2	"1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1"	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O	JYGXADMDTFJGBT-VWUMJDOOSA-N
DG00613	Indomethacin	3715	"Indomethacin; 53-86-1; indometacin; Indocin; Indometacine; Indomethacine; Indocid; Metindol; Indomethazine; Reumacide; Imbrilon; Amuno; Tannex; Indomethacinum; Artracin; Artrinovo; Artrivia; Confortid; Idomethine; Indomecol; Indoptic; Indoptol; Inflazon; Infrocin; Metartril; Methazine; Mikametan; Sadoreum; Dolovin; Inacid; Indacin; Indomed; Indomee; Lausit; Metacen; Mobilan; Indo-rectolmin; Indo-tablinen; Inteban sp; Indometacyna; Indometicina; Mezolin; Durametacin; Indometacinum; 2-(1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid; Indometacina; Dolcidium; Elmetacin; Indomethine; Indorektal; Catlep; Indoxen; Vonum; Indo-phlogont; Chibro-amuno; Rheumacin LA; 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-; Osmosin; Aconip; 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid; CCRIS 3502; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid; HSDB 3101; 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid; NCI-C56144; UNII-XXE1CET956; MFCD00057095; CHEMBL6; 1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid; IMN; Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-; Indo-Lemmon; [1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid; Indocin Sr; XXE1CET956; 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1h-indol-3-yl}acetic acid; N-p-Chlorbenzoyl-5-methoxy-2-methylindole-3-acetic acid; MLS000069402; Indomethacin (Indocid, Indocin); (1-p-Chlorobenzoyl-5-methoxy-2-methylindol-3-yl)acetic acid; CHEBI:49662; 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid; 1-(p-Chlorobenzoyl)-2-methoxy-3-methyl-1H-indole-3-acetic Acid; Indomet 140; alpha-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid; {1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid; NSC-757061; CAS-53-86-1; 1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido acetico; NCGC00015562-18; Indmethacine; Indomethancin; 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetic acid; Arthrexin; Bonidin; Bonidon; Indameth; Indomod; Miametan; SMR000058195; Indomo; Flexin continus; Hicin; Kwas 1-(p-chlorobenzoilo)-2-metylo-5-metoksy-3-indolilooctowy; Chrono-indicid; Chrono-indocid; Indometacyna [Polish]; DSSTox_CID_740; Bonidon Gel; Indometicina [Spanish]; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid; Dolcidium PL; Indo-Spray; Indolar SR; DSSTox_RID_75763; DSSTox_GSID_20740; Indometacine [INN-French]; Indometacinum [INN-Latin]; Indometacina [INN-Spanish]; 1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid; Tivorbex; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid; 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methylindol-3-yl}acetic acid; Indocin-SR; Indochron E-R; Indocin (TN); Aconip (TN); Indomethacin (USP); FLAM; NSC-77541; Indocid (pharmaceutical); SR-01000000014; EINECS 200-186-5; Indomethacin & MAP-30; Indomethacin [USAN:USP]; BRN 0497341; Indocollyre; Indonol; Innamit; Inteban; 2-{1-((4-chlorophenyl)carbonyl)-5-methoxy-2-methylindol-3-yl}acetic acid; 4kyk; Indomethacin,(S); Prestwick_597; Indometacin [INN]; Opera_ID_56; Spectrum_000919; Tocris-1708; 1z9h; 1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure [German]; 1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido acetico [Spanish]; Prestwick0_000272; Prestwick1_000272; Prestwick2_000272; Prestwick3_000272; Spectrum2_000970; Spectrum3_000468; Spectrum4_000018; Spectrum5_000868; Lopac-I-7378; Kwas 1-(p-chlorobenzoilo)-2-metylo-5-metoksy-3-indolilooctowy [Polish]; MolMap_000032; UPCMLD-DP023; EC 200-186-5; I 7378; Indometacin (JP17/INN); SCHEMBL9300; Lopac0_000692; Oprea1_686105; BSPBio_000144; BSPBio_001149; BSPBio_002176; KBioGR_000395; KBioGR_000489; KBioSS_000489; KBioSS_001399; 5-22-05-00239 (Beilstein Handbook Reference); MLS001074194; MLS006011845; BIDD:GT0132; DivK1c_000271; SPECTRUM1500350; SPBio_000979; SPBio_002363; BPBio1_000160; GTPL1909; DTXSID9020740; Indomethacin, >=99% (TLC); UPCMLD-DP023:001; BDBM17638; CGIGDMFJXJATDK-UHFFFAOYSA-; HMS500N13; KBio1_000271; KBio2_000489; KBio2_001399; KBio2_003057; KBio2_003967; KBio2_005625; KBio2_006535; KBio3_000897; KBio3_000898; KBio3_001396; 1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure; Indomethacin - CAS 53-86-1; NINDS_000271; Bio2_000405; Bio2_000885; HMS1362I11; HMS1568H06; HMS1792I11; HMS1920F21; HMS1990I11; HMS2089N19; HMS2091N09; HMS2095H06; HMS2231J10; HMS3262K05; HMS3268A14; HMS3374F07; HMS3403I11; HMS3414N13; HMS3430L03; HMS3649K17; HMS3655O04; HMS3678N11; HMS3712H06; HMS3747K21; HMS3884E08; Pharmakon1600-01500350; ZINC601283; ACT02579; BCP18951; Indomethacin, >=99.0% (TLC); Tox21_113109; Tox21_201791; Tox21_300266; Tox21_500692; AC-532; CCG-40186; NSC757061; s1723; STL257874; AKOS000592893; Tox21_113109_1; AT13679; DB00328; Indometacin 1.0 mg/ml in Acetonitrile; KS-5255; LP00692; MCULE-5636486088; NSC 757061; SDCCGSBI-0050670.P005; IDI1_000271; IDI1_002160; NCGC00015562-01; NCGC00015562-02; NCGC00015562-03; NCGC00015562-04; NCGC00015562-05; NCGC00015562-06; NCGC00015562-07; NCGC00015562-08; NCGC00015562-09; NCGC00015562-10; NCGC00015562-11; NCGC00015562-12; NCGC00015562-13; NCGC00015562-14; NCGC00015562-15; NCGC00015562-16; NCGC00015562-17; NCGC00015562-19; NCGC00015562-20; NCGC00015562-21; NCGC00015562-22; NCGC00015562-24; NCGC00015562-25; NCGC00015562-40; NCGC00024135-02; NCGC00024135-04; NCGC00024135-05; NCGC00024135-06; NCGC00024135-07; NCGC00024135-08; NCGC00024135-09; NCGC00024135-10; NCGC00024135-11; NCGC00024135-12; NCGC00024135-13; NCGC00024135-14; NCGC00024135-15; NCGC00254075-01; NCGC00259340-01; NCGC00261377-01; BI166166; BP-30207; H911; HY-14397; NCI60_041708; SBI-0050670.P004; DB-052413; AB00052022; EU-0100692; FT-0603227; I0655; SW196768-5; Indomethacin, meets USP testing specifications; BIM-0050670.0001; C01926; D00141; J10170; S00108; AB00052022-20; AB00052022-21; AB00052022_23; AB00052022_24; L000959; Q409231; Indomethacin, Antibiotic for Culture Media Use Only; Q-201239; SR-01000000014-2; SR-01000000014-4; SR-01000000014-6; BRD-K57222227-001-06-1; BRD-K57222227-001-18-6; BRD-K57222227-001-27-7; SR-01000000014-10; SR-01000000014-16; Z56784896; 1-p-chlorobenzoyl-2-methyl-5-methoxyindol-3-acetic acid; 1-(p-chlorobenzoyl)-2-methyl-5-methoxy-3-indoleacetic acid; 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid; 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindol-3-acetic acid; 1-(4-chloro-benzoyl)-5-methoxy-2-methyl-3-indolyl-acetic acid; 1-(4-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid; 1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indole-acetic acid; 1-(p-chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid; 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indol acetic acid; 1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-Indole-3-acetic acid; Indomethacin, European Pharmacopoeia (EP) Reference Standard; N-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid; Indomethacin, United States Pharmacopeia (USP) Reference Standard; .alpha.-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid; [1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid #; 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid & MAP-30; 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl- (9CI); 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2 methylindol-3-yl}acetic acid; 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2methylindol-3-yl}acetic acid; Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl- (8CI); Indomethacin, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:49662	DB00328	DR00267	DR0875	357.8	C19H16ClNO4	68.5	506	4.3	25	1	4	4	"1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)"	CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O	CGIGDMFJXJATDK-UHFFFAOYSA-N
DG00614	Azathioprine 	2265	"Azathioprine; 446-86-6; Imuran; Azothioprine; Azathioprin; Azatioprin; Azamun; Azanin; Azathiopurine; Imurel; Azasan; Ccucol; Imurek; Muran; Rorasul; BW 57-322; NSC-39084; BW-57-322; NCI-C03474; 6-(1-Methyl-4-nitroimidazol-5-yl)thiopurine; 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-7H-purine; Imuran (TN); NSC 39084; 6-(1-Methyl-p-nitro-5-imidazolyl)-thiopurine; 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine; UNII-MRK240IY2L; 6-(1'-Methyl-4'-nitro-5'-imidazolyl)-mercaptopurine; 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9H-purine; 6-((1-Methyl-4-nitroimidazol-5-yl)thio)purine; Azathioprine (Azasan, Imuran); 1H-Purine, 6-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-; 1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-; Purine, 6-(1-methyl-4-nitro-5-imidazolylthio)-; 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine; 6-(Methyl-p-nitro-5-imidazolyl)-thiopurine; MFCD00069203; MRK240IY2L; BW 57322; Azamun [Czech]; 6-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-7H-purine; CHEBI:2948; B. W. 57-322; NSC39084; 6-(1'-Methyl-4'-nitro-5'-imidazolyl)mercaptopurine; Purine, 6-((1-methyl-4-nitroimidazol-5-yl)thio)-; 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-7H-purine; 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-9H-purine; NCGC00015060-06; NCGC00015060-14; Azatioprina; CAS-446-86-6; DSSTox_CID_119; 6-[(1-Methyl-4-nitroimidazol-5-yl)thio]purine; DSSTox_RID_75381; DSSTox_GSID_20119; Azathioprinum [INN-Latin]; Azatioprina [INN-Spanish]; Azamune; Methylnitroimidazolylmercaptopurine; CCRIS 62; Azasan (TN); HSDB 7084; SR-01000075537; Purine, 6-[(1-methyl-4-nitroimidazol-5-yl)thio]-; EINECS 207-175-4; 6-(1-methyl-4-nitro-1H-imidazol-5-ylthio)-9H-purine; 6-1'-Methyl,4'-nitro,5'-imidazolyl mercaptopurine; azanine; 6-(1-Methyl-4-nitroimidazol-5-ylthio)purin [Czech]; Azothioprin; Jayempi; Azoran; AI3-50290; 6-(1-Methyl-4-nitroimidazol-5-ylthio)purin; Prestwick_41; Azathiopurine,(S); [Methyl(nitroimidazolyl)mercaptopurine]; Azathioprine [USAN:USP:INN:BAN:JAN]; Spectrum_000064; Azathioprine, >=98%; 6-(Methyl-p-nitro-5-imidazolyl)thiopurine; Prestwick0_000094; Prestwick1_000094; Prestwick2_000094; Prestwick3_000094; Spectrum2_000068; Spectrum3_000308; Spectrum4_000243; Spectrum5_000848; Lopac-A-4638; ChemDiv1_002659; 6-(1-Methyl-p-nitro-5-imidazolyl)thiopurine; A 4638; Thiopurine 6-(1-methyl-4-nitroimidazol-5-yl); SCHEMBL4278; CHEMBL1542; Lopac0_000027; Oprea1_375441; Oprea1_533384; Oprea1_633462; BSPBio_000048; BSPBio_001876; CBDivE_013132; KBioGR_000646; KBioGR_002427; KBioSS_000464; KBioSS_002433; AI-981/34845012; MLS001049307; DivK1c_000586; SPECTRUM1500133; SPBio_000255; SPBio_001987; BPBio1_000054; GTPL7120; DTXSID4020119; Azathioprine (JP17/USP/INN); HMS501N08; HMS594I19; KBio1_000586; KBio2_000464; KBio2_002427; KBio2_003032; KBio2_004995; KBio2_005600; KBio2_007563; KBio3_001376; KBio3_002906; cMAP_000046; NINDS_000586; 6-({4-nitro-1-methyl-1H-imidazol-5-yl}sulfanyl)-7H-purine; 6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-purine; HMS1568C10; HMS1920E17; HMS2091K19; HMS2095C10; HMS2802J03; HMS3259P03; HMS3260E15; HMS3655M04; HMS3712C10; Pharmakon1600-01500133; ACT02232; BCP09492; HY-B0256; ZINC4258316; Tox21_110074; Tox21_400024; Tox21_500027; BDBM50373919; CCG-16168; CCG-39877; NSC755900; s1721; STK831906; AKOS005609209; AKOS028108935; Tox21_110074_1; AC-4230; CCG-220094; DB00993; KS-1146; LP00027; MCULE-8637589610; NC00614; NSC-755900; SDCCGMLS-0065415.P001; SDCCGSBI-0050016.P005; IDI1_000586; NCGC00015060-01; NCGC00015060-02; NCGC00015060-03; NCGC00015060-04; NCGC00015060-05; NCGC00015060-07; NCGC00015060-08; NCGC00015060-09; NCGC00015060-10; NCGC00015060-11; NCGC00015060-12; NCGC00015060-13; NCGC00015060-15; NCGC00015060-16; NCGC00015060-18; NCGC00015060-19; NCGC00015060-29; NCGC00090836-01; NCGC00090836-02; NCGC00090836-03; NCGC00090836-04; NCGC00090836-05; NCGC00090836-06; NCGC00094593-01; NCGC00094593-02; NCGC00094593-03; NCGC00260712-01; BA166065; L996; SMR000427366; 6-1'-Methyl,5'-imidazolyl mercaptopurine; SBI-0050016.P003; Azathioprine 100 microg/mL in Acetonitrile; 6-(1-Methyl-4-nitromidazol-5-ylthio)purine; AB00443544; EU-0100027; FT-0602904; FT-0662375; SW198560-2; 6-(1-Methyl-4-nitroimidazol-5-ylthio)purine; Azathioprine, meets USP testing specifications; C06837; D00238; D70170; Q18939; AB00443544-03; AB00443544-11; AB00443544_12; AB00443544_13; 055A974; 446A866; A826664; SR-01000762955; 6-(1-Methyl-4-nitro-5-imidazolythio)-9H-pur-ine; SR-01000075537-1; SR-01000075537-4; SR-01000762955-2; BRD-K32821942-001-05-6; BRD-K32821942-001-10-6; BRD-K60324116-001-01-5; WLN: T56 BM DN FN HNJ IS- ET5N CNJ A1 DNW; Z57063156; 6-((1-methyl-4-nitro-1h-imidazol-5-yl)thio)-1h-purin; 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-9H-purine; 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-9H-purine; 9H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-; Azathioprine, European Pharmacopoeia (EP) Reference Standard; 6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-purine #; Azathioprine, United States Pharmacopeia (USP) Reference Standard; Azathioprine, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2948	DB00993	DR00113	DR0164	277.27	C9H7N7O2S	143	354	0.1	19	1	7	2	"1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)"	CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]	LMEKQMALGUDUQG-UHFFFAOYSA-N
DG00615	Celecoxib	2662	"Celecoxib; 169590-42-5; Celebrex; Celebra; Onsenal; Celocoxib; Celecox; SC 58635; 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE; SC-58635; YM177; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide; 184007-95-2; YM 177; C17H14F3N3O2S; HSDB 7038; UNII-JCX84Q7J1L; p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide; MFCD00941298; SC58635; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide; 4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide; YM-177; CHEMBL118; JCX84Q7J1L; 194044-54-7; CHEBI:41423; 4-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide; NSC-719627; NSC-758624; NCGC00091455-01; Xilebao; DSSTox_CID_2777; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-benzenesulfonamide; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonami de; benzenesulfonamide, 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-; DSSTox_RID_76725; DSSTox_GSID_22777; Solexa; Benzenesulfonamide, 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-; Celebrex (TN); SMR000550473; CAS-169590-42-5; SR-01000837528; Celecoxibum; Celecoxib [USAN:INN:BAN]; CCRIS 9330; TPI-336; Celecoxib- Bio-X; Celecoxib-[d4]; Onsenal (TN); AI-525; CEP-33222; CELEBCOXIB; Spectrum_000432; 1oq5; Spectrum2_001576; Spectrum3_001996; Spectrum4_000182; Spectrum5_001324; cid_2662; SCHEMBL3708; Celecoxib (JAN/USP/INN); DFN15; BSPBio_003596; KBioGR_000723; KBioGR_002351; KBioSS_000912; KBioSS_002354; MLS001165684; MLS001195656; MLS001304708; MLS006011862; BIDD:GT0408; DivK1c_000893; SPECTRUM1503678; SPBio_001512; DFN-15; GTPL2892; Celecoxib, >=98% (HPLC); DTXSID0022777; BDBM11639; HMS502M15; KBio1_000893; KBio2_000912; KBio2_002351; KBio2_003480; KBio2_004919; KBio2_006048; KBio2_007487; KBio3_002830; KBio3_003037; EX-A175; SYN3015; cMAP_000027; NINDS_000893; BCPP000290; Elyxyb (DFN-15; oral solution); HMS1922G14; HMS2089L18; HMS2093I07; HMS2234N18; HMS3259L08; HMS3261A14; HMS3373A09; HMS3654H09; HMS3715F11; HMS3867I03; HMS3884M07; Pharmakon1600-01503678; ACT02648; ALBB-033772; BCP02156; ZINC2570895; Tox21_111135; Tox21_201964; Tox21_300599; Tox21_500406; US8741944, Comparative Compound; 4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide; BBL029086; CCG-39354; NSC719627; NSC758624; s1261; STL373576; Celecoxib 1.0 mg/ml in Acetonitrile; AKOS015842517; Tox21_111135_1; AC-4228; AM84588; BCP9000507; CS-0570; DB00482; KS-1041; MCULE-4750749400; NC00708; NSC 719627; NSC 758624; SB19318; IDI1_000893; NCGC00091455-02; NCGC00091455-03; NCGC00091455-04; NCGC00091455-05; NCGC00091455-06; NCGC00091455-07; NCGC00091455-08; NCGC00091455-09; NCGC00091455-13; NCGC00254540-01; NCGC00259513-01; NCGC00261091-01; BC164295; BP-30217; HY-14398; NCI60_041049; PHA-00846533; SY064976; SBI-0051875.P002; CJ-016377; CP-598107; UNM-0000305813; FT-0601628; FT-0623536; FT-0700357; SW199611-3; PF-00345549; A25046; C07589; D00567; J10035; AB00052396-07; AB00052396-08; AB00052396-09; AB00052396_10; AB00052396_11; 590C425; Q408801; J-010566; J-520011; Q-200816; SR-01000837528-2; SR-01000837528-3; BRD-K02637541-001-02-4; BRD-K02637541-001-06-5; Z2210694606; Celecoxib, European Pharmacopoeia (EP) Reference Standard; Celecoxib, United States Pharmacopeia (USP) Reference Standard; 4-[5-(p-Tolyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide; 4-(5-p-tolyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-pyrazol-1-yl]benzenesulfonamide; 5-(4-Methylphenyl)-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazole; Celecoxib, Pharmaceutical Secondary Standard; Certified Reference Material; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyazol-1-yl]benezenesulfonamide; Benzenesulfonamide,4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-; 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-pyrazol-1-yl]benzenesulfonamide;4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:41423	DB00482	DR00520	DR0286	381.4	C17H14F3N3O2S	86.4	577	3.4	26	1	7	3	"1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)"	CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F	RZEKVGVHFLEQIL-UHFFFAOYSA-N
DG00616	Germacrone	6436348	"Germacrone; 6902-91-6; (3E,7E)-3,7-Dimethyl-10-(propan-2-ylidene)cyclodeca-3,7-dienone; Germacron; (3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one; Germacrone,(S); Germacrol (obsol;); UNII-E2WQ6N4FBP; E2WQ6N4FBP; Germacrone, analytical standard; SCHEMBL2551615; SCHEMBL14215872; CHEBI:80830; HY-N0440; MFCD00210050; s9311; ZINC31308583; AKOS016009673; CCG-266711; NCGC00482596-01; AC-34324; CS-0008961; G0519; N1500; V0249; (E,E)-Germacra-3,7(11),9-trien-6-one; C16966; 902G916; Q-100776; Q15410959; trans,trans-3,7-dimethyl-10-isopropylidene-3,7-cyclodecadien-1-one"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	218.33	C15H22O	17.1	363	3.5	16	0	1	0	"1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8+,13-7+"	C/C/1=C\\CC(=C(C)C)C(=O)C/C(=C/CC1)/C	CAULGCQHVOVVRN-SWZPTJTJSA-N
DG00617	Cabozantinib	25102847	"Cabozantinib; 849217-68-1; Cometriq; XL184; XL-184; BMS-907351; XL 184; BMS 907351; Cabozantinib (XL184, BMS-907351); UNII-1C39JW444G; CHEBI:72317; XL-184 free base; BMS907351; 1C39JW444G; MFCD20926324; N'-[4-[(6,7-DIMETHOXY-4-QUINOLINYL)OXY]PHENYL]-N-(4-FLUOROPHENYL)-1,1-CYCLOPROPANEDICARBOXAMIDE; Cabometyx (TN); Cometriq (TN); 1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; C28H24FN3O5; N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-N'-(4-fluorophenyl)cyclopropane-1,1- dicarboxamide; N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; XL184 cpd; Cabozantinib [USAN:INN]; Carbozantinib; XL184 free base; Cabozantinib (USAN); Cabozantinib (free base); SCHEMBL360795; GTPL5887; Cabozantinib (BMS-907351); CHEMBL2105717; DTXSID10233968; EX-A075; QCR-122; SYN1138; XL184 free base - Cabozantinib; BCPP000308; BMS-907351 FREE BASE; HMS3654G06; XL-184 free base (Cabozantinib); AOB87755; BCP02591; 849217-68-1 (free base); BDBM50021574; NSC761068; NSC800066; s1119; ZINC70466416; AKOS025142112; BCP9000470; CCG-264678; CS-0278; DB08875; NSC-761068; NSC-800066; SB20062; XL-184 (Cabozantinib,BMS907351); XL-184,Cabozantinib, BMS-907351; NCGC00263164-01; NCGC00263164-14; NCGC00263164-17; 1,1-Cyclopropanedicarboxamide, N'-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-N-(4-fluorophenyl)-; 1,1-Cyclopropanedicarboxamide,N-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-N'-(4-fluorophenyl)-; AC-25082; AS-16277; HY-13016; n-(4-((6,7-dimethoxy-4-quinolinyl)oxy)phenyl)-n'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide; SY097158; DB-023624; FT-0664184; SW218093-3; X7477; D10062; AB01565831_02; Q795057; SR-01000941569; J-523016; SR-01000941569-1; BRD-K51544265-001-01-8; 1,1-Cyclopropanedicarboxamide, N'-(4-((6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-N-(4- fluorophenyl)-; cyclopropane-1,1-dicarboxylic acid [4-(6,7-dimethoxy-quinoline-4-yloxy)-phenyl]-amide(4-fluoro-phenyl)-amide; cyclopropane-1,1-dicarboxylic acid[4-(6,7-dimethoxy-quinoline-4-yloxy)-phenyl]-amide (4-fluoro-phenyl)-amide; N-(4-{[6,7-bis(methyloxy)quinolin-4-yl]oxy}phenyl)-N'-(4 fluorophenyl)cyclopropane-1,1-dicarboxamide; N-(4-{[6,7-bis(methyloxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; N-[4-[(6,7-Dimethoxy-4-quinolinyl)oxy]phenyl]-N-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide; N-[4-[(6,7-Dimethoxyquinolin-4-yl)oxy]phenyl]-N inverted exclamation mark -(4-fluorophenyl)cyclopropane-1,1-dicarboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:72317	DB08875	.	DR0254	501.5	C28H24FN3O5	98.8	795	5.4	37	2	7	8	"1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)"	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N
DG00618	Lenvatinib	9823820	"Lenvatinib; 417716-92-8; E7080; Lenvima; 4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-methoxyquinoline-6-carboxamide; E7080 (Lenvatinib); Lenvatinib (E7080); E 7080; E-7080; Lenvatinib free base; ER-203492-00; UNII-EE083865G2; 4-[3-Chloro-4-(cyclopropylaminocarbonyl)aminophenoxy]-7-methoxy-6-quinolinecarboxamide; 4-{3-Chloro-4-[(Cyclopropylcarbamoyl)amino]phenoxy}-7-Methoxyquinoline-6-Carboxamide; 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide; CHEMBL1289601; CHEBI:85994; 417716-92-8 (free base); EE083865G2; 4-(3-chloro-4-(N'-cyclopropylureido)phenoxy)-7-methoxyquinoline-6-carboxamide; Lenvatinib [USAN:INN]; Kisplyx; 4-(3-Chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; LEV; LenvatinibE7080); Lenvatinib; E7080; Lenvatinib base- Bio-X; Lenvatinib (USAN/INN); MLS006011239; SCHEMBL864638; GTPL7426; AMY9240; DTXSID50194605; EX-A249; QCR-115; SYN1038; BCPP000247; HMS3244A07; HMS3244A08; HMS3244B07; HMS3654A14; AOB87766; BCP01799; ZINC3816292; BDBM50331094; MFCD16038644; NSC755980; NSC800781; s1164; AKOS025401742; BCP9000633; CCG-264842; CS-0109; DB09078; NSC-755980; NSC-800781; SB16580; 4-(3-chloro-4-((cyclopropylaminocarbonyl)amino)phenoxy)-7-methoxy-6-quinolinecarboxamide; NCGC00263198-01; NCGC00263198-04; NCGC00263198-07; AC-25047; AS-16203; BL164616; HY-10981; SMR004702999; DB-070219; FT-0700727; SW219259-1; D09919; 716C928; A825653; J-513372; Q6523413; BRD-K39974922-001-02-7; 4-[3-chloranyl-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxamide; 4-[3-Chloro-4-[[(cyclopropylamino)carbonyl]amino]phenoxy]-7-methoxy-6-quinolinecarboxamide; 4-[3-chloro-4-[[(cyclopropylamino)-oxomethyl]amino]phenoxy]-7-methoxy-6-quinolinecarboxamide; 6-Quinolinecarboxamide, 4-(3-chloro-4- (((cyclopropylamino)carbonyl)amino)phenoxy)-7-methoxy-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB09078	DR00265	.	426.9	C21H19ClN4O4	116	634	2.8	30	3	5	6	"1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)"	COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl	WOSKHXYHFSIKNG-UHFFFAOYSA-N
DG00619	Vandetanib	3081361	"Vandetanib; 443913-73-3; Zactima; ZD6474; Caprelsa; N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-((1-methylpiperidin-4-yl)methoxy)quinazolin-4-amine; vandetanib (zd6474); ZD 6474; ZD-6474; N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine; UNII-YO460OQ37K; C22H24BrFN4O2; CHEMBL24828; N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4-piperidinyl)methoxy)-4-quinazolinamine; YO460OQ37K; CHEBI:49960; GNF-PF-2188; MFCD07772346; NSC-744325; NSC-760766; NCGC00167513-01; 4-[(4-Bromo-2-fluorophenyl)amino]-6-methoxy-7-[(1-methyl-4-piperidyl)methoxy]quinazoline; DSSTox_CID_26681; DSSTox_RID_81816; DSSTox_GSID_46681; 4-(4-Bromo-2-fluoroanilino)-6-methoxy-7-(1-methylpiperidin-4-yl)methoxyquinazoline; N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]-4-quinazolinamine; (4-Bromo-2-fluoro-phenyl)-[6-methoxy-7-(1-methyl-piperidin-4-ylmethoxy)-quinazolin-4-yl]-amine; CAS-443913-73-3; Vandetinib; HSDB 8198; 2ivu; Vandetanib [USAN:INN:BAN:JAN]; ZD-64; Caprelsa (TN); AZD-6474; Vandetanib- Bio-X; CH 331; CH-331; Vandetanib (Zactima); DMPC Cyclic Urea 1; Kinome_3316; BDBM21; SCHEMBL9044; MLS006011672; Vandetanib (JAN/USAN/INN); AMY599; F9995-0087; GTPL5717; QCR-37; DTXSID1046681; SCHEMBL21067679; cid_3081361; EX-A422; SYN1090; BCPP000023; HMS3244K03; HMS3244K04; HMS3244L03; HMS3654E11; HMS3672C07; AOB87780; BCP01925; Tox21_112511; 443913-73-3 (free base); NSC744325; NSC760766; NSC800961; s1046; ZINC53683345; AKOS015902350; Tox21_112511_1; AC-5251; CCG-269495; CS-0130; DB05294; MCULE-4705827953; NSC 744325; NSC 760766; NSC-800961; SB16919; 4-(4-bromo-2-fluoroanilino)-6-methoxy-7-(1-methylpiperidin-4-ylmethoxy)quinazoline; NCGC00167513-02; NCGC00167513-03; NCGC00167513-04; NCGC00167513-09; 338992-00-0; 4-BROMO-2-FLUORO-N-[(4E)-6-METHOXY-7-[(1-METHYLPIPERIDIN-4-YL)METHOXY]QUINAZOLIN-4(1H)-YLIDENE]ANILINE; 4-Quninazolinamine, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4-piperidinyl)methoxy)-; AS-11067; BV164508; HY-10260; SMR002530472; SY027438; FT-0656736; SW218092-2; EC-000.2359; A25648; D06407; V-9402; AB01273969-01; AB01273969-02; AB01273969_04; 913V733; SR-00000000462; Q7914515; SR-00000000462-2; BRD-K77625799-001-01-0; 4-(4-Bromo-2-fluoroanilino)-6-methoxy- 7-[(1-methylpiperidin-4-yl)methoxy]quinazoline; 6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]hexanoic acid; Quinazolin-4-amine, N-(4-bromo-2-fluorophenyl)-6-mthoxy-7-[(1-methyl-4-piperidinyl)methoxy]-; Vandetanib;7-((4-aminocyclohexyl)methoxy)-N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine; ZD6"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:49960	DB05294	DR00618	DR1669	475.4	C22H24BrFN4O2	59.5	539	4.9	30	1	7	6	"1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)"	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N
DG00620	Ruxolitinib	25126798	"Ruxolitinib; 941678-49-5; INCB018424; Ruxolitinib (INCB018424); (R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile; INCB-018424; UNII-82S8X8XX8H; (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; INCB 018424; 82S8X8XX8H; INC424; CHEBI:66919; (R)-ruxolitinib; C17H18N6; (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile; (betaR)-beta-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile; INCB18424; R-Ruxolitinib; INC-424; INCB-18424; Ruxolitinib [USAN:INN]; INCB 18424; (3R)-3-cyclopentyl-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile; INC 424; RXT; Ruxolitinib (USAN/INN); INCB18424,Ruxolitinib; SCHEMBL171319; GTPL5688; INCB018424 - Ruxolitinib; CHEMBL1789941; SCHEMBL16546708; HSDB 8259; DTXSID10240930; SYN1120; ACT06813; AMY24152; AOB87783; EX-A1670; BDBM50355501; MFCD12031592; NSC763371; NSC800874; s1378; ZINC43207851; AKOS016842401; BCP9000784; CCG-264889; CS-0864; DB08877; NSC-763371; NSC-800874; NCGC00244253-01; NCGC00244253-02; NCGC00244253-11; NCGC00244253-12; AC-24280; AS-18619; HY-50856; QC-11806; W9658; 1092939-15-5; A14955; A23578; D09959; AB01565782_02; Q7383611; BRD-K53972329-001-02-1; BRD-K53972329-001-03-9; (3R)-3-cyclopentyl-3-[4-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile; (R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H -pyrazol-1-yl)-3-cyclopentylpropanenitrile; 3-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(beta-R)-1H-pyrazole-1-propanenitrile; A-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(AR)-1H-pyrazole-1-propanenitrile; (3R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile;Ruxolitinib; 1H-Pyrazole-1-propanenitrile, beta-cyclopentyl-4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-,(betaR)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:66919	DB08877	.	.	306.4	C17H18N6	83.2	453	2.1	23	1	4	4	"1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1"	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N
DG00621	Amantadine	2130	"Amantadine; 1-Adamantanamine; 768-94-5; adamantan-1-amine; 1-Adamantylamine; 1-Aminoadamantane; Adamantanamine; Adamantylamine; Aminoadamantane; Amantidine; Symmetrel; Symadine; Pk-merz; Adamantamine; 1-Adamantamine; Amantadina; Amantadinum; adamantan-1-ylamine; Gocovri; TCMDC-125869; 1-adamantaneamine; UNII-BF4C9Z1J53; 1-Aminotricyclo(3.3.1.1(sup 3,7))decane; NSC 341865; Tricyclo(3.3.1.13,7)decan-1-amine; tricyclo[3.3.1.1~3,7~]decan-1-amine; Tricyclo[3.3.1.1(3,7)]decan-1-amine; MFCD00074732; CHEMBL660; BF4C9Z1J53; CHEBI:2618; NSC341865; NSC-341865; (3s,5s,7s)-Tricyclo[3.3.1.1~3,7~]decan-1-Amine; 768-94-5 (FREE BASE); NCGC00015036-03; Tricyclo[3.3.1.13,7]decan-1-amine; Tricyclo[3.3.1.13,7]decane-1-amine; Amantadine Base; DSSTox_CID_2117; Amantadine [INN:BAN]; DSSTox_RID_76493; Amantadinum [INN-Latin]; DSSTox_GSID_22117; Amantadina [INN-Spanish]; Amant; Amantadine (INN); CAS-768-94-5; NSC83653; HSDB 3202; Tricyclo(3.3.1.1(3,7))-decan-1-amine; Tricyclo(3.3.1.1(sup 3.7))decan-1-amine; EINECS 212-201-2; 1-Adamantanamine (8CI); ADAMANTANE,1-AMINO; adamantaneamine; BRN 2204333; adamantyl amine; AmantadineHCl; 1-admantaneamine; 1-Amantadine; Tricyclo(3.3.1.1(sup 3,7))decan-1-amine; 1-adamantanylamine; 1-adamantyl amine; Adamant-1-ylamine; 1-amino-adamantane; adamantane-1-amine; Mantadine (Salt/Mix); Symmetrel (Salt/Mix); Spectrum_000030; Tricyclo[3.3.1.1^3,7]decan-1-amine; Prestwick0_000407; Prestwick1_000407; Prestwick2_000407; Prestwick3_000407; Spectrum2_000081; Spectrum3_000291; Spectrum4_000134; Spectrum5_000772; tricyclo[3.3.1.1(3,7)]decan-1-ylamine; tricyclo[3.3.1.1(3,7)]decane-1-amine; 1-Adamantylamine, 97%; Lopac-A-1260; Tricyclo[3.3.1.1(sup3,7)]decan-1-amine; EC 212-201-2; SCHEMBL4098; NCIOpen2_001059; Lopac0_000004; Oprea1_248648; BSPBio_000334; BSPBio_001570; BSPBio_001822; KBioGR_000548; KBioSS_000390; BIDD:GT0757; DivK1c_000815; Exp-105-1 (Salt/Mix); SPBio_000002; SPBio_002273; BPBio1_000368; GTPL4128; SCHEMBL2619248; DTXSID8022117; SCHEMBL15672299; SCHEMBL20409394; SCHEMBL21309814; SCHEMBL21310017; SCHEMBL23419027; KBio1_000815; KBio2_000390; KBio2_002958; KBio2_005526; KBio3_001322; NINDS_000815; (3R,5S,7s)-Adamantan-1-amine; 1-Adamantamine(1-Aminoadamantane); HMS1791O12; HMS1989O12; HMS3604O07; HMS3887I19; ZINC968256; ACT02873; ALBB-013871; BCP09869; HY-B0402; STR04703; Tox21_110068; BDBM50033369; HTS001826; s5499; STK298781; AKOS000113994; AKOS000119324; AKOS007930692; AKOS015935124; Tox21_110068_1; CCG-204100; CS-W008656; DB00915; MCULE-9686682307; SDCCGSBI-0049993.P005; IDI1_000815; NCGC00015036-01; NCGC00015036-02; NCGC00015036-04; NCGC00015036-05; NCGC00015036-06; NCGC00015036-07; NCGC00015036-08; NCGC00015036-09; NCGC00015036-11; NCGC00015036-13; NCGC00015036-24; NCGC00162039-01; NCGC00162039-02; NCGC00162039-03; NCGC00162039-04; NCGC00179597-01; AC-25879; ADS-5102, EXP 105-1; AS-14215; BP-13040; K333; SY017655; SBI-0049993.P004; WLN: L66 B6 A B- C 1B ITJ BZ; AB00514655; FT-0607338; C06818; D07441; AB00053414-14; AB00053414-16; AB00053414_17; AB00053414_18; AB01275427-01; 768A945; A838887; L000868; Q409761; J-650234; W-104338; BRD-K70330367-003-01-2; BRD-K70330367-003-03-8; Q27453436; F0001-1962"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2618	DB00915	DR00040	DR2259	151.25	C10H17N	26	144	2.4	11	1	1	0	"1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2"	C1C2CC3CC1CC(C2)(C3)N	DKNWSYNQZKUICI-UHFFFAOYSA-N
DG00622	Rimantadine	5071	"Rimantadine; 13392-28-4; 1-(1-Adamantyl)ethanamine; 1-Rimantadine; 1-(adamantan-1-yl)ethan-1-amine; alpha-Methyl-1-adamantanemethylamine; alpha-Methyladamantanemethylamine; 1-(Adamantan-1-yl)ethanamine; RIMANTADIN; 1-Adamantan-1-yl-ethylamine; CHEMBL959; 1-Adamantanemethylamine, .alpha.-methyl-; .alpha.-Methyladamantanemethylamine; 1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanamine; Rimantadina; Rimantadinum; Rimantadine [INN:BAN]; Rimantadinum [INN-Latin]; 1-(1-Adamantyl)ethylamin; Rimantadina [INN-Spanish]; [1-(1-adamantyl)ethyl]amine hydrochloride; (R)-1-(1-Adamantyl)ethylamine; Rimant; Tricyclo[3.3.1.13,7]decane-1-methanamine, alpha-methyl-, (-)-; 1-(1-adamantyl)ethylamine; 117857-51-9; Rimantadine (INN); HSDB 7438; Enamine_005755; NCGC00159491-02; Rimant & .alpha. IFN; Rimantadine (Flumadine); Rimantidine & .alpha.IFN; 1-Adamantan-1-ylethylamine; BRN 2715740; rimantidin; 1-(1-adamantyl)-ethylamine; Rimantadin A; Tricyclo(3.3.1.13,7)decane-1-methanamine, alpha-methyl-; Maybridge1_002066; Tricyclo(3.3.1.1(sup 3,7))decane-1-methanamine, alpha-methyl-; 1-ADAMANTANEMETHYLAMINE, alpha-METHYL-; SCHEMBL2981; 1-tricyclo[3.3.1.1~3,7~]dec-1-ylethanamine; Oprea1_602732; SCHEMBL2619249; CHEMBL1201272; DTXSID2023561; SCHEMBL20409367; CHEBI:94440; HMS1410F13; HMS2090L19; HMS3604N13; HMS3655J05; ALBB-013870; BCP12269; HY-B0338; BBL013215; BDBM50216627; s1964; STK177253; (alpha-methyl-1-adamantyl)methylamine; AKOS000264537; AKOS006238592; AKOS016038537; .alpha.-Methyl-1-adamantanemethylamine; AM84461; CCG-236078; DB00478; MCULE-9027470290; 4-Bromo-7-(trifluoromethyl)- quinoline; IDI1_007990; NCGC00159491-03; NCGC00159491-05; NCGC00159491-11; AS-68744; SBI-0206810.P001; DB-042207; FT-0630403; SW220023-1; C07236; D08483; Q42171; 1-[(3R,5S,7s)-adamantan-1-yl]ethan-1-amine; AB00638368-09; AB00959689-03; AB01506092_02; AB01506092_03; 392R284; BRD-A84282119-003-01-2; Z56757137; Tricyclo[3.3.1.13,7]decane-1-methanamine, a-methyl-; Tricyclo(3.3.1.1^3,7)decane-1-methanamine, .alpha.-methyl-; Tricyclo(3.3.1.1(sup 3,7))decane-1-methanamine, .alpha.-methyl-; Tricyclo[3,3,1,1(3,7)]decane-1-methanamine, .alpha.-methyl-; Tricyclo(3.3.1.1^3,7)decane-1-methanamine, .alpha.-methyl- & IFN.alpha"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94440	DB00478	DR00832	DR2305	179.3	C12H21N	26	180	2.6	13	1	1	1	"1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3"	CC(C12CC3CC(C1)CC(C3)C2)N	UBCHPRBFMUDMNC-UHFFFAOYSA-N
DG00623	Oxcarbazepine	34312	"OXCARBAZEPINE; 28721-07-5; Trileptal; Oxcarbamazepine; Oxcarbazepina; Oxcarbazepinum; GP 47680; 10-Oxo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide; 5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide; KIN-493; GP-47680; 10,11-Dihydro-10-oxo-5H-dibenz[b,f]azepine-5-carboxamide; 10,11-Dihydro-10-oxo-5H-dibenz(b,f)azepine-5-carboxamide; UNII-VZI5B1W380; 5H-Dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-10-oxo-; MLS000084586; SPN-804; 9-oxo-2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene-2-carboxamide; 5H-Dibenz(b,f)azepine-5-carboxamide, 10,11-dihydro-10-oxo-; CHEMBL1068; SMR000048684; CHEBI:7824; VZI5B1W380; Oxacarbazepine; Timox; MFCD00865307; NSC-758693; NCGC00065934-02; DSSTox_CID_25703; DSSTox_RID_81075; DSSTox_GSID_45703; Oxcarbazepinum [INN-Latin]; Oxcarbazepina [INN-Spanish]; Oxcarbazepime; Epilexter; Epliga; Oxtellar XR; Trileptal (TN); CAS-28721-07-5; SR-01000612612; EINECS 249-188-8; Oxcarbazepin; HSDB 7524; Oxtellar (TN); Oxcarbazepine [USAN:USP:INN:BAN]; OCBZ; Oxcarbazepine solution; Oxcarbazepine- Bio-X; Spectrum_001675; Opera_ID_818; regid866068; Spectrum2_000483; Spectrum3_001669; Spectrum4_000634; Spectrum5_001869; O0363; SCHEMBL35129; BSPBio_003457; KBioGR_001248; KBioSS_002155; cid_34312; MLS000759520; MLS001201742; MLS001424025; MLS006011855; BIDD:GT0078; SPECTRUM1504243; SPBio_000345; GTPL7254; Oxcarbazepine (JAN/USP/INN); ZINC4724; DTXSID0045703; BDBM34179; KBio2_002155; KBio2_004723; KBio2_007291; KBio3_002677; Oxcarbazepine, analytical standard; 10,11-Dihydro-10-oxo-5H-dibenzo[b,f]azepine-5-carboxamide; HMS1922H17; HMS2051O04; HMS2090F13; HMS2093E10; HMS2231B12; HMS3369J22; HMS3393O04; HMS3657O11; HMS3713I10; HMS3884K13; Pharmakon1600-01504243; BCP28260; BCP33398; HY-B0114; Tox21_110983; CCG-39509; NSC758693; s1391; STK594696; AKOS005516529; Tox21_110983_1; AC-3483; CS-1869; DB00776; KS-5197; MCULE-9100100302; NC00088; NSC 758693; Oxcarbazepine, >=98% (HPLC), solid; NCGC00065934-03; NCGC00065934-04; NCGC00065934-05; NCGC00065934-06; BO164187; H038; SBI-0206772.P001; GP-47-680; AM20040094; FT-0630543; FT-0673414; SW197468-3; A13943; C07492; D00533; J10384; M06310; AB00393017-12; AB00393017-14; AB00393017_15; AB00393017_16; 721O075; Q176301; SR-01000612612-4; SR-01000612612-6; W-107033; BRD-K04196797-001-12-9; 10-oxo-10,11-dihydro-5H-dibenz(b,f)azepin-5-carboxamide; 5-carbamoyl-10-oxo-10,11-dihydro-5H-dibenz[b,f]azepine; 10,11-Dihydro-10-oxo-5H-dibenz[b,f]azepin-5-carbonsaeureamid; 10-Oxo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide #; Oxcarbazepine, European Pharmacopoeia (EP) Reference Standard; 10,11-Dihydro-10-oxo-5H-dibenzo(Z)[b,f]azepine-5-carboxamide; Oxcarbazepine, United States Pharmacopeia (USP) Reference Standard; 10-Oxo carbazepine; Oxecarb; 10,11-Dihdyro-10-oxo-5H-dibenz[b,f]azepine-5-carboxamide; Oxcarbazepine, Pharmaceutical Secondary Standard; Certified Reference Material; Oxcarbazepine solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material; Oxcarbazepine-13C6 solution, 100 mug/mL in acetonitrile, ampule of 1 mL, certified reference material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7824	DB00776	DR00453	DR1744	252.27	C15H12N2O2	63.4	382	1.7	19	1	2	0	"1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)"	C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N	CTRLABGOLIVAIY-UHFFFAOYSA-N
DG00624	Ceragenin	16678119	Ceragenin CSA-13; CSA-13; CHEMBL1275763; SCHEMBL14816571; 222022-08-4	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	677.1	C41H80N4O3	118	879	7.3	48	4	7	24	"1S/C41H80N4O3/c1-5-6-7-8-9-10-23-45-24-11-15-31(2)34-16-17-35-39-36(30-38(41(34,35)4)48-27-14-22-44)40(3)19-18-33(46-25-12-20-42)28-32(40)29-37(39)47-26-13-21-43/h31-39,45H,5-30,42-44H2,1-4H3/t31-,32+,33-,34-,35+,36+,37-,38+,39+,40+,41-/m1/s1"	CCCCCCCCNCCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OCCCN)C)OCCCN)OCCCN)C	YDYLISNLJUDIGF-GXDYCHSMSA-N
DG00625	D-Allosamine	6915732	"2-Amino-2-Deoxy-Allopyranose; 2-Amino-2-Deoxy-Allopyranoside; 2-Amino-2-Deoxy-Allose; 2-Amino-2-Deoxy-D-Allopyranose; 2-Amino-2-Deoxy-D-Allopyranoside; 2-Amino-2-Deoxy-D-Allose; 2-Deoxy-2-Amino-Allopyranose; 2-Deoxy-2-Amino-Allopyranoside; 2-Deoxy-2-Amino-Allose; 2-Deoxy-2-Amino-D-Allopyranose; 2-Deoxy-2-Amino-D-Allopyranoside; 2-Deoxy-2-Amino-D-Allose; AllN; Allosamine; D-AllN; D-Allosamine; SCHEMBL13985995; C21038; WURCS=2.0/1,1,0/[a2222h-1x_1-5_2*N]/1/"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	179.17	1	C6H13NO5	116	155	-2.8	12	5	6	C([C@@H]1[C@H]([C@H]([C@H](C(O1)O)N)O)O)O	"InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5+,6 /m1/s1"	MSWZFWKMSRAUBD-RSVSWTKNSA-N
DG00626	GDC-0623	42642654	"GDC-0623; 1168091-68-6; GDC 0623; RG 7421; GDC0623; UNII-HW67545I4Q; G-868; 5-((2-FLUORO-4-IODOPHENYL)AMINO)-N-(2-HYDROXYETHOXY)IMIDAZO[1,5-A]PYRIDINE-6-CARBOXAMIDE; 5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide; HW67545I4Q; RG-7420; RG-7421; 5-[(2-FLUORO-4-IODOPHENYL)AMINO]-N-(2-HYDROXYETHOXY)IMIDAZO[1,5-A]PYRIDINE-6-CARBOXAMIDE; Imidazo[1,5-a]pyridine-6-carboxamide, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-; MEK inhibitor 1; GTPL9909; SCHEMBL1615104; CHEMBL3330650; CHEBI:167659; AOB87143; BCP28689; EX-A2060; BDBM50025226; MFCD25976760; NSC778590; NSC800998; RG7421; s7553; ZINC43206499; AKOS027253679; CCG-269293; DB11982; NSC-778590; NSC-800998; SB16957; NCGC00351593-05; AS-55986; DA-33609; G868; HY-15610; FT-0769207; G 868; A858271; Q27280129; 5-(2-Fluoro-4-iodophenylamino)-imidazo[1,5-a]pyridine-6-carboxylic acid (2-hydroxyethoxy)-amide; 5-(2-Fluoro-4-iodophenylamino)-imidazo[15-a]pyridine-6-carboxylic acid (2-hydroxyethoxy)-amide; 5-(2-Fluoro-4-iodophenylamino)imidazo[1,5-a]pyridine-6-carboxylic acid N-(2-hydroxyethoxy)amide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB11982	.	.	456.21	C16H14FIN4O3	87.9	461	3.7	25	3	6	6	"1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)"	C1=CC(=C(C=C1I)F)NC2=C(C=CC3=CN=CN32)C(=O)NOCCO	RFWVETIZUQEJEF-UHFFFAOYSA-N
DG00627	SCH772984	24866313	"SCH772984; 942183-80-4; SCH-772984; (R)-1-(2-oxo-2-(4-(4-(pyrimidin-2-yl)phenyl)piperazin-1-yl)ethyl)-N-(3-(pyridin-4-yl)-1H-indazol-5-yl)pyrrolidine-3-carboxamide; SCH 772984; CHEMBL3590107; (3R)-1-[2-Oxo-2-[4-[4-(2-pyrimidinyl)phenyl]-1-piperazinyl]ethyl]-N-[3-(4-pyridinyl)-1H-indazol-5-yl]-3-pyrrolidinecarboxamide; (3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{N}-(3-pyridin-4-yl-1~{H}-indazol-5-yl)pyrrolidine-3-carboxamide; (3r)-1-(2-Oxo-2-{4-[4-(Pyrimidin-2-Yl)phenyl]piperazin-1-Yl}ethyl)-N-[3-(Pyridin-4-Yl)-2h-Indazol-5-Yl]pyrrolidine-3-Carboxamide; (3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamide; 38Z; GTPL8056; SCHEMBL12151489; AOB6425; EX-A296; CHEBI:167670; C33H33N9O2; 2711AH; BDBM50094464; MFCD11878503; NSC775636; s7101; ZINC96174209; AKOS025402018; CS-1421; NSC-775636; SCH772984, SCH 984; NCGC00350780-05; NCGC00350780-10; NCGC00350780-11; (R)-1-(2-oxo-2-(4-(4-(pyrimidin-2-yl)phenyl)piperazin-1-yl)ethyl)-N-(3-(pyridin-4-yl)-1H-indazol-5-y; (R)-1-{2-Oxo-2-[4-(4-pyrimidin-2-yl-phenyl)-piperazin-1-yl]-ethyl}-pyrrolidine-3-carboxylic acid (3-pyridin-4-yl-1H-indazol-5-yl)-amide; AC-28198; CID 24866313; HY-50846; QC-11359; F31041; A859514; Q27088760; (3R)-1-(2-OXO-2-{4-[4-(PYRIMIDIN-2-YL)PHENYL]PIPERAZIN-1-YL}ETHYL)-N-[3-(PYRIDIN-4-YL)-1H-INDAZOL-5-YL]PYRROLIDINE-3-CARBOXAMIDE; (R)-1-(2-oxo-2-(4-(4-(pyrimidin-2-yl)phenyl)piperazin-1-yl)ethyl)-N-(3-(pyridin-4-yl)-1H-indazol-5-; F3Z"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	587.7	C33H33N9O2	123	957	2.5	44	2	8	7	"1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1"	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N
DG00628	INK128	45375953	"1224844-38-5; Sapanisertib; INK-128; MLN0128; INK 128; INK128; TAK-228; INK 128 (MLN0128); Sapanisertib (MLN0128); MLN-0128; 5-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)benzo[d]oxazol-2-amine; UNII-JGH0DF1U03; 3-(2-Amino-5-benzoxazolyl)-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine; JGH0DF1U03; 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine; 5-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]-pyrimidin-3-yl)benzo[d]oxazol-2-amine; C15H15N7O; 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine; Sapanisertib; INK128; Sapanisertib (USAN/INN); Sapanisertib [USAN:INN]; MLS006011012; GTPL7933; SCHEMBL7902875; CHEMBL3545097; CHEBI:91450; EX-A951; INK-128/INK128; SYN1157; BDBM315477; HMS3656H12; HMS3672C21; INK-128;Sapanisertib;MLN0128; AOB87177; INK-0128; 2477AH; MFCD22124893; NSC764658; NSC768435; NSC780880; s2811; ZINC73069271; AKOS025149512; US10172858, Table 1.1; BCP9000789; CCG-265002; CS-0557; DB11836; NSC-764658; NSC-768435; NSC-780880; SB16566; US10172858, Table 1.22; NCGC00346654-01; NCGC00346654-10; AC-26848; AS-16294; BS170924; HY-13328; SMR004702810; BCP0726000086; A8551; FT-0700125; SW220210-1; D11183; INK-128,CAS:1224844-38-5; J-004811; Q27078072; 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(2-amino-5-benzoxazolyl)-1-(1-methylethyl)-; 2-Benzoxazolamine, 5-(4-amino-1-(1-methylethyl)-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-; 3-(2-Amino-1,3-benzoxazol-5-yl)-1-isopropyl-1H-pyrazolo(3,4-d)pyrimidin-4-amine; 5-(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine; FE5; INK-128; ; ; MLN-0128; ; ; 5-(4-Amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:91450	DB11836	.	.	309.33	C15H15N7O	122	436	1.7	23	2	7	2	"1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)"	CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(C=C3)OC(=N4)N)N	GYLDXIAOMVERTK-UHFFFAOYSA-N
DG00629	Echinocandins	9898144	"Echinocandin B; 54651-05-7; UNII-CNW0ZW8ZTQ; CNW0ZW8ZTQ; Antibiotic SL 7810F; Antibiotic A 30912A; (9Z,12Z)-N-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6,20-bis((R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)octadeca-9,12-dienamide; (9Z,12Z)-N-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}octadeca-9,12-dienamide; 5.1:6-anhydro{(4R,5R)-4,5-dihydroxy-N(2)-[(9Z,12Z)-octadeca-9,12-dienoyl]-L-ornithyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-L-threonyl-(3S,4S)-3-hydroxy-4-methyl-L-proline}; Antibiotic A 22082; NSC 287461; A 30912A; Echinocandin B (9CI); A-22082; SCHEMBL17951640; CHEBI:315018; (9Z,12Z)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]octadeca-9,12-dienamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	1060.2	C52H81N7O16	368	1940	2.5	75	14	16	20	"1S/C52H81N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(65)53-35-26-37(64)48(71)57-50(73)42-43(66)29(2)27-59(42)52(75)40(31(4)61)55-49(72)41(45(68)44(67)32-21-23-33(62)24-22-32)56-47(70)36-25-34(63)28-58(36)51(74)39(30(3)60)54-46(35)69/h9-10,12-13,21-24,29-31,34-37,39-45,48,60-64,66-68,71H,5-8,11,14-20,25-28H2,1-4H3,(H,53,65)(H,54,69)(H,55,72)(H,56,70)(H,57,73)/b10-9-,13-12-/t29-,30+,31+,34+,35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,48+/m0/s1"	CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H]([C@H](CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](C)O)C)O)O)O	FAUOJMHVEYMQQG-HVYQDZECSA-N
DG00630	AP26113	57390074	"AP26113; 1197958-12-5; ALK-IN-1; Brigatinib-analog; (2-((5-chloro-2-((4-(4-(dimethylamino)piperidin-1-yl)-2-methoxyphenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide; UNII-3DGD69C6PV; AP26113-analog; 5-chloro-2-N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine; 3DGD69C6PV; CHEMBL3397300; 1197958-12-5 (analog); 5-Chloro-N~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-N~4~-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine; 2,4-Pyrimidinediamine, 5-chloro-N2-(4-(4-(dimethylamino)-1-piperidinyl)-2-methoxyphenyl)-N4-(2-(dimethylphosphinyl)phenyl)-; 2,4-Pyrimidinediamine, 5-chloro-N2-[4-[4-(dimethylamino)-1-piperidinyl]-2-methoxyphenyl]-N4-[2-(dimethylphosphinyl)phenyl]-; Brigatinib analog; 5-Chloro-N2-(4-(4-(dimethylamino)piperidin-1-yl)-2-methoxyphenyl)-N4-(2-(dimethylphosphoryl)phenyl)pyrimidine-2,4-diamine; 5-CHLORO-N2-{4-[4-(DIMETHYLAMINO)PIPERIDIN-1-YL]-2-METHOXYPHENYL}-N4-[2-(DIMETHYLPHOSPHORYL)PHENYL]PYRIMIDINE-2,4-DIAMINE; Brigatinib(AP26113); C26H34ClN6O2P; SCHEMBL11916416; DTXSID30725416; EX-A770; AP26113;ALK-IN-1; HMS3652H14; HMS3673I09; BCP06648; 2218AH; BDBM50062357; MFCD23704187; NSC776763; NSC800977; s7000; ZINC89630357; AKOS025401944; AKOS032949980; AP 26113-analog, Brigatinib-analog; CCG-264698; CS-1368; NSC-776763; NSC-800977; SB16487; NCGC00351602-02; NCGC00351602-05; NCGC00351602-09; 5-Chloro-N2-(4-(4-(dimethylamino)-1-piperidinyl)-2-methoxyphenyl)-N4-(2-(dimethylphosphinyl)phenyl)-2,4-pyrimidinediamine; AC-27470; AS-75104; DA-35325; HY-13464; QC-11659; FT-0696829; SW219566-1; Q4653190; E5J"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	.	.	.	529	C26H34ClN6O2P	82.6	733	4.8	36	2	8	8	"1S/C26H34ClN6O2P/c1-32(2)18-12-14-33(15-13-18)19-10-11-21(23(16-19)35-3)30-26-28-17-20(27)25(31-26)29-22-8-6-7-9-24(22)36(4,5)34/h6-11,16-18H,12-15H2,1-5H3,(H2,28,29,30,31)"	CN(C)C1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC	OVDSPTSBIQCAIN-UHFFFAOYSA-N
DG00631	Clozatinib	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00632	ASP3026	25134326	"ASP3026; 1097917-15-1; ASP-3026; ASP 3026; N2-[2-Methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-1,3,5-triazine-2,4-diamine; UNII-HP4L6MXF10; HP4L6MXF10; 2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine; 4-N-[2-Methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine; N4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine; F6O; MLS006011176; GTPL7740; SCHEMBL2827739; CHEMBL3545360; C29H40N8O3S; AOB6601; DTXSID90149038; EX-A140; QCR-144; CHEBI:167650; HMS3673C17; BCP06436; XTB91715; 2229AH; MFCD21609265; NSC765865; NSC799336; s8054; ZINC68120928; AKOS025142083; CCG-270132; CS-0787; DB12729; NSC-765865; NSC-799336; SB19387; NCGC00345791-01; NCGC00345791-09; AC-28466; AS-16959; DA-35322; HY-13326; N2-(2-(isopropylsulfonyl)phenyl)-N4-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)-1,3,5-triazine-2,4-diamine; SMR004702945; FT-0755075; J-523409; Q27074543; N(2)-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N(4)-[2-[(1-methylethyl)sulfonyl]phenyl]-1,3,5-triazine-2,4-diamine; N-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-N'-[2-(propan-2-ylsulfonyl)phenyl]-1,3,5-triazine-2,4-diamine; N-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-N'-[2-(propane-2-sulfonyl)phenyl]-1,3,5-triazine-2,4-diamine"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	580.7	C29H40N8O3S	124	904	4.8	41	2	11	9	"1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34)"	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=N2)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	MGGBYMDAPCCKCT-UHFFFAOYSA-N
DG00633	Diclofenac	3033	"Diclofenac; 15307-86-5; Diclofenac acid; dichlofenac; Diclofenacum; Diclophenac; 2-(2-((2,6-Dichlorophenyl)amino)phenyl)acetic acid; Diclofenaco; Diclofenac resinate; Voltarol; 2-(2,6-Dichloroanilino)phenylacetic Acid; 2-[2-(2,6-dichloroanilino)phenyl]acetic acid; 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid; Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-; 2-((2,6-Dichlorophenyl)amino)benzeneacetic acid; Solaraze; Diclofenac free acid; UNII-144O8QL0L1; {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid; CHEBI:47381; Voltaren-XR; [2-(2,6-Dichloroanilino)phenyl]acetic acid; 2-[(2,6-Dichlorophenyl)amino]benzeneacetic acid; CHEMBL139; 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID; ACETIC ACID, (o-(2,6-DICHLOROANILINO)PHENYL)-; 144O8QL0L1; Arthrotec; 15307-86-5 (free); ProSorb-D; Olfen; MFCD00056694; Solaraze (TN); 2-[(2,6-dichlorophenyl)amino]-benzeneacetic acid; Enfenamic acid; N-Phenethylanthranilic acid; RH 8; 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid; Zorovolex; Zorvolex; Diclofenamic acid; Diclofenacum [INN-Latin]; Diclofenaco [INN-Spanish]; DIF; HSDB 7234; GP-45840; EINECS 239-348-5; (2-((2,6-Dichlorophenyl)amino-phenyl)acetic acid (HD); BRN 2146636; Diclofenac [USAN:INN:BAN]; ISV-205; Zorvolex (TN); Spectrum_000930; Diclofenac (USAN/INN); Prestwick0_000594; Prestwick1_000594; Prestwick2_000594; Prestwick3_000594; Spectrum2_000991; Spectrum3_000385; Spectrum4_000506; Spectrum5_000867; Epitope ID:116873; EC 239-348-5; SCHEMBL2799; Lopac0_000441; Oprea1_011155; BSPBio_000468; BSPBio_002169; KBioGR_001051; KBioGR_002306; KBioSS_001410; KBioSS_002308; MLS006011795; BIDD:GT0380; DivK1c_000272; DivK1c_000402; 2-[2-(2,6-dichlorophenyl)aminophenyl]ethanoic acid; SPBio_001081; SPBio_002687; BPBio1_000516; GTPL2714; ZINC1281; DTXSID6022923; BDBM13066; HMS501E04; KBio1_000272; KBio1_000402; KBio2_001410; KBio2_002306; KBio2_003978; KBio2_004874; KBio2_006546; KBio2_007442; KBio3_001389; KBio3_002786; 2b17; cMAP_000014; NINDS_000272; NINDS_000402; HMS2090C10; HMS3886F09; BCP09087; BCP13860; LAS41007; LAS-41007; s6073; STK984493; AKOS001579542; DB00586; KS-1258; MCULE-1824024270; IDI1_000272; IDI1_000402; NCGC00021125-01; NCGC00021125-02; NCGC00021125-11; AC-27673; HY-15036; o-(2,6-dichloroanilino)phenylacetic acid; SMR001550371; SY038623; SBI-0051341.P003; D3748; FT-0624731; FT-0666643; UNM000001216103; [2-(2,6-Dichloroanilino)phenyl]acetic acid #; C01690; D07816; Diclofenac acid 100 microg/mL in Acetonitrile; H10425; [o-(2,6-dichloro-anilino)-phenyl]-acetic acid; 2-[(2,6-dichlorophenyl)amino]phenylacetic acid; 2-[2-(2,6-dichloroanilino)phenyl]acetic acid.; AB01275502-01; AB01275502_02; 056D694; 2-(2-(2,6-dichlorophenylamino)phenyl)acetic acid; 2-[(2,6-dichlorophenyl)amino]-phenyl-acetic acid; Q244408; [2-(2,6-dichloro-phenylamino)-phenyl]-acetic acid; 2-[(2,6-dichlorophenyl)-amino]-benzeneacetic acid; 2-[(2,6-dichlorophenyl)-amino]-phenyl-acetic acid; 2-[2-(2,6-dichlorophenylamino)phenyl]-acetic acid; SR-01000003041-3; 2-[2-(2,6-dichlorophenylamino)-phenyl]-acetic acid; BRD-K08252256-236-05-6; BRD-K08252256-236-17-1; Z57664869; F0722-0745; Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)- (9CI); 2-[2-[(2,6-Dichlorophenyl)amino]phenyl]acetic Acid (Diclofenac); 128402-48-2"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:47381	DB00586	DR00681	.	296.1	C14H11Cl2NO2	49.3	304	4.4	19	2	3	4	"1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)"	C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl	DCOPUUMXTXDBNB-UHFFFAOYSA-N
DG00634	Puromycin	439530	"Puromycin; 53-79-2; Puromycine; Stylomycin; Puromicina; Puromycinum; Stillomycin; P-638; Puromycin dihydrochloride; CHEBI:17939; UNII-4A6ZS6Q2CL; 3123L; CL 13900; GNF-PF-2016; CL 13,900; 4A6ZS6Q2CL; 3'-(L-alpha-Amino-p-methoxyhydrocinnamamido)-3'-deoxy-N,N-dimethyladenosine; CL-13900; (S)-3'-((2-Amino-3-(4-methoxyphenyl)-1-oxopropyl)amino)-3'-deoxy-N,N-dimethyladenosine; NSC-3055; 9-{3-deoxy-3-[(O-methyl-L-tyrosyl)amino]-beta-D-xylofuranosyl}-N,N-dimethyl-9H-purin-6-amine; Adenosine, 3'-(((2S)-2-amino-3-(4-methoxyphenyl)-1-oxopropyl)amino)-3'-deoxy-N,N-dimethyl-; Achromycin (purine derivative); P 638; TCMDC-123493; 3'-deoxy-N,N-dimethyl-3'-(O-methyl-L-tyrosinamido)adenosine; 3'-deoxy-N,N-dimethyl-3'-[(O-methyl-L-tyrosyl)amino]adenosine; 58-58-2; 3'-[[(2S)-2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3'-deoxy-N,N-diemthyladenosine; CL 16536; (S)-2-amino-N-((2S,3S,4R,5R)-5-(6-(dimethylamino)-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl)-3-(4-methoxyphenyl)propanamide; NSC3055; NSC 3055; Puromycine [INN-French]; Puromycinum [INN-Latin]; Puromicina [INN-Spanish]; Bacterenomycin; Puromycin [USAN:INN:BAN]; (S)-3'-[[2-Amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3'-deoxy-N,N-dimethyladenosine; Adenosine, 3'-((2-amino-3-(4-methoxyphenyl)-1-oxopropyl)amino)-3'-deoxy-N,N-dimethyl-, (S)-; PUY; Puromycin (USAN); CL13900; Prestwick3_000480; Epitope ID:140945; SCHEMBL4570; BSPBio_000620; BPBio1_000682; CHEMBL469912; DTXSID8036788; HMS2089F18; HY-B1743; CL 16,536 (*Dihydrochloride*); BDBM50277158; MFCD00866328; ZINC53147179; AKOS030485964; CCG-208505; CS-6500; DB08437; 6-Dimethylamino-9-(3'-(p-methoxy-L-phenylalanylamino)-beta-D-ribofuranosyl)-purine; Puromycin, 10 mg/ml in distilled water; NCGC00179500-01; NCGC00179500-07; NCGC00179500-14; (2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide; AB00514661; 3123-L; C01610; D05653; AB00514661-07; Q424696; BRD-K36007650-001-01-9; BRD-K36007650-300-02-3; Q27167243; Adenosine, 3'-(alpha-amino-p-methoxyhydrocinnamamido)-3'-deoxy-N,N-dimethyl-, L-; (2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-methoxyphenyl)propanamide; 2-amino-N-[5-[6-(dimethylamino)-9-purinyl]-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]-3-(4-methoxyphenyl)propanamide; Adenosine, 3'-(-amino-p-methoxyhydrocinnamamido)-3'-deoxy-N, N-dimethyl-, dihydrochloride, L-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB08437	DR01525	.	471.5	C22H29N7O5	161	680	0	34	4	10	8	"1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1"	CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CC4=CC=C(C=C4)OC)N)O	RXWNCPJZOCPEPQ-NVWDDTSBSA-N
DG00635	TAK-733	24963252	"TAK-733; 1035555-63-5; TAK733; TAK 733; (R)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4-iodophenylamino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione; UNII-5J61HSP0QJ; 5J61HSP0QJ; CHEMBL1615025; 3-[(2r)-2,3-Dihydroxypropyl]-6-Fluoro-5-[(2-Fluoro-4-Iodophenyl)amino]-8-Methylpyrido[2,3-D]pyrimidine-4,7(3h,8h)-Dione; Mek inhibitor tak-733; MLS006011054; GTPL9911; SCHEMBL1528606; DTXSID20648089; example 18 [US8470837]; AOB87182; BCP06625; EX-A2164; BDBM50337926; MFCD24386349; NSC761215; NSC800940; s2617; ZINC43196550; AKOS027251050; CCG-264969; CS-1283; DB12241; NSC-761215; NSC-800940; compound 17 [PMID: 21310613]; NCGC00263187-01; 3-[(2R)-2,3-Dihydroxypropyl]-6-fluoro-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione; HY-13449; SMR004702846; SW220152-1; US8470837, 18; A857992; Q27262384; 3-[(2r)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido [2,3-d]pyrimidine-4,7(3h,8h)-dione; IZG; Pyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione,3-[(2R)-2,3-dihydroxy-propyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methyl-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB12241	.	.	504.23	C17H15F2IN4O4	106	772	0.9	28	3	8	5	"1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1"	CN1C2=C(C(=C(C1=O)F)NC3=C(C=C(C=C3)I)F)C(=O)N(C=N2)C[C@H](CO)O	RCLQNICOARASSR-SECBINFHSA-N
DG00636	Pingyangmycin	84046	"Pingyangmycin; Bleomycetin; Bleomycinamide, N1-[3-[(4-aminobutyl)amino]propyl]-; (Bleomycin A5); CHEMBL2002141; BCP23597; NSC350895; NSC-350895; Q2095702; Bleomycinamide, N(1)-[3-[(4-aminobutyl)amino]propyl]-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB12992	.	.	1440.6	C57H89N19O21S2	722	2620	-8.8	99	22	33	40	"1S/C57H89N19O21S2/c1-22-35(73-48(76-46(22)61)27(14-33(60)80)68-15-26(59)47(62)86)52(90)75-37(43(28-16-65-21-69-28)95-56-45(41(84)39(82)31(17-77)94-56)96-55-42(85)44(97-57(63)92)40(83)32(18-78)93-55)53(91)70-24(3)38(81)23(2)49(87)74-36(25(4)79)51(89)67-13-8-34-71-30(20-98-34)54-72-29(19-99-54)50(88)66-12-7-11-64-10-6-5-9-58/h16,19-21,23-27,31-32,36-45,55-56,64,68,77-79,81-85H,5-15,17-18,58-59H2,1-4H3,(H2,60,80)(H2,62,86)(H2,63,92)(H,65,69)(H,66,88)(H,67,89)(H,70,91)(H,74,87)(H,75,90)(H2,61,73,76)"	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCCN)O	QYOAUOAXCQAEMW-UHFFFAOYSA-N
DG00637	Carbamazepine	2554	"Carbamazepine; 298-46-4; Tegretol; Carbamazepen; 5H-Dibenzo[b,f]azepine-5-carboxamide; Finlepsin; Biston; 5H-Dibenz[b,f]azepine-5-carboxamide; Carbazepine; Tegretal; Equetro; Carbamezepine; Neurotol; Timonil; Epitol; Karbamazepin; Carbatrol; Stazepine; Telesmin; Lexin; Tegretol-Xr; benzo[b][1]benzazepine-11-carboxamide; Carbamazepin; Carbamazepinum; 5H-Dibenz(b,f)azepine-5-carboxamide; Carbamazepina; Amizepin; Bipotrol; Teril; Geigy 32883; 5-Carbamyl-5H-dibenzo(b,f)azepine; 5-Carbamoyl-5H-dibenzo(b,f)azepine; Calepsin; Carnexiv; Sirtal; 5-Carbamoyl-5H-dibenz(b,f)azepine; 5-Carbamoyl-5H-dibenz[b,f]azepine; G 32883; G-32883; NSC 169864; MFCD00005073; CHEBI:3387; UNII-33CM23913M; CHEMBL108; 5-Carbamyldibenzo(b,f)azepine; MLS000069652; 5-Carbamoyldibenzo(b,f)azepine; CBZ; NSC169864; 33CM23913M; NSC-169864; NCGC00015234-11; CAS-298-46-4; SMR000058201; Stazepin; DSSTox_CID_2731; 2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaene-2-carboxamide; DSSTox_RID_76704; DSSTox_GSID_22731; Carbamazepine Anhydrous; 5H-dibenzo[b,f]azepine-5-carboxamide;Oxcarbazepine IMpurity A; Carbelan; Tegretol Cr; Carbamazepinum [INN-Latin]; Carbamazepina [INN-Spanish]; SMR001227191; HSDB 3019; SR-01000000229; Carbatrol extended-release; EINECS 206-062-7; BRN 1246090; Karbelex; Neurotop; Trimonil; Neurotop retard; dibenzo[b,f]azepine-5-carboxamide; Tegretol (TN); Prestwick_104; Equetro (TN); Carbamazepine-[d2]; Carbamazepine, powder; Opera_ID_72; Spectrum_000096; Carbamazepine [USAN:USP:INN:BAN:JAN]; Prestwick0_000052; Prestwick1_000052; Prestwick2_000052; Prestwick3_000052; Spectrum2_000125; Spectrum3_000325; Spectrum4_000262; Spectrum5_000936; Carbamazepine (Carbatrol); Lopac-C-4024; ChemDiv1_018966; CBChromo1_000350; Epitope ID:174842; Iminostilbene-N-carboxamide; Carbamazepine-[13C,15N]; Lopac0_000292; Oprea1_790775; SCHEMBL21639; BSPBio_000203; BSPBio_001929; Carbamazepine extended release; KBioGR_000724; KBioSS_000516; MLS001055475; MLS001074172; MLS002548877; BIDD:GT0479; DivK1c_000388; DivK1c_003750; SPECTRUM1500159; SPBio_000170; SPBio_002124; BPBio1_000225; GTPL5339; ZINC4785; DTXSID4022731; SCHEMBL19838283; HMS501D10; HMS640O02; KBio1_000388; KBio2_000516; KBio2_003084; KBio2_005652; KBio3_001149; WLN: T C676 BNJ BVZ; AOB5783; Carbamazepine (JP17/USP/INN); CBZ;NSC 169864; dibenz[b,f]azepine-5-carboxamide; SPD-417; Carbamazepine, analytical standard; NINDS_000388; HMS1568K05; HMS1920I17; HMS2090M07; HMS2091O19; HMS2095K05; HMS2233G16; HMS3039K09; HMS3259B21; HMS3260L06; HMS3372J13; HMS3657G03; HMS3712K05; HMS3747E03; Pharmakon1600-01500159; ACT02606; BCP21380; HY-B0246; 5-Carbomoyl-5H-dibenzo(b,f)azepine; Tox21_110104; Tox21_202273; Tox21_300195; Tox21_500292; AC2074; BDBM50003659; CCG-38931; NSC755920; s1693; STK177357; STL453548; 11-benzo[b][1]benzazepinecarboxamide; 5H-Dibenz[b,f]azepine-5-carboxamine; Carbamazepine 1.0 mg/ml in Methanol; AKOS003235644; AKOS025397243; Tox21_110104_1; AC-9538; DB00564; KS-5146; LP00292; MCULE-9121567287; NC00679; NSC-755920; SDCCGSBI-0050280.P005; 5H-Dibenz[ b, f]azepine-5-carboxamide; CDS1_002710; IDI1_000388; 5H-Dibenzo[b,f]azepine-5-carboxamide #; NCGC00015234-01; NCGC00015234-02; NCGC00015234-03; NCGC00015234-04; NCGC00015234-05; NCGC00015234-06; NCGC00015234-07; NCGC00015234-08; NCGC00015234-09; NCGC00015234-10; NCGC00015234-12; NCGC00015234-13; NCGC00015234-14; NCGC00015234-15; NCGC00015234-16; NCGC00015234-18; NCGC00015234-19; NCGC00015234-33; NCGC00023877-03; NCGC00023877-04; NCGC00023877-05; NCGC00023877-06; NCGC00023877-07; NCGC00023877-08; NCGC00253982-01; NCGC00259822-01; NCGC00260977-01; BC166161; H495; SY002823; (z)-5h-dibenzo[b,f]azepine-5-carboxamide; SBI-0050280.P004; 5H-dibenzo[b,f]azepine-5-carboximidic acid; DB-047659; Dibenzo[b,f]azepine-5-carboxylic acid amide; EU-0100292; FT-0602927; FT-0696814; SW220141-1; BIM-0050280.0001; C 4024; C06868; Carbamazepine, meets USP testing specifications; D00252; 5H-Dibenz(b,f)azepine-5-carboxamide maleic acid; 5H-Dibenz(b,f)azepine-5-carboxamide oxalic acid; AB00051931-17; AB00051931-18; AB00051931_19; AB00051931_20; A820074; Q410412; carbamazepine host structure with maleic acid removed; carbamazepine host structure with oxalic acid removed; Q-200792; SR-01000000229-2; SR-01000000229-4; SR-01000000229-7; 5H-Dibenz(b,f)azepine-5-carboxamide DL-tartaric acid; BRD-K71799949-001-06-7; F0348-2551; Z2199879032; carbamazepine host structure with DL-tartaric acid removed; Dibenzo[b,f]azepine-5-carboxylic acid amide(Carbamazepine); carbamazepine host structure with 4-hydroxybenzoic acid removed; Carbamazepine, British Pharmacopoeia (BP) Reference Standard; Carbamazepine, European Pharmacopoeia (EP) Reference Standard; Carbamazepine, United States Pharmacopeia (USP) Reference Standard; Carbamazepine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; Carbamazepine, Pharmaceutical Secondary Standard; Certified Reference Material; N6W"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3387	DB00564	DR00395	DR0270	236.27	C15H12N2O	46.3	326	2.5	18	1	1	0	"1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)"	C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N	FFGPTBGBLSHEPO-UHFFFAOYSA-N
DG00638	Valproic acid	3121	"VALPROIC ACID; 2-Propylpentanoic acid; 99-66-1; 2-Propylvaleric acid; Dipropylacetic acid; Depakine; Depakene; Valproate; Ergenyl; Di-n-propylacetic acid; Mylproin; Pentanoic acid, 2-propyl-; 4-Heptanecarboxylic acid; n-Dipropylacetic acid; Propylvaleric acid; Myproic Acid; n-DPA; Dipropylacetate; Convulex; Depakin; Di-n-propylessigsaure; Avugane; Baceca; Stavzor; Acido valproico; Kyselina 2-propylvalerova; Acide valproique; 2-n-Propyl-n-valeric acid; Acidum valproicum; Acetic acid, dipropyl-; 2,2-di-n-propylacetic acid; Valproinsaeure; Savicol; Depakine chrono; Depakin chrono; Abbott 44090; Acide valproique [INN-French]; Acido valproico [INN-Spanish]; Acidum valproicum [INN-Latin]; 2-PROPYL-PENTANOIC ACID; Di-n-propylessigsaure [German]; Valeric acid, 2-propyl-; Epilim; Kyselina 2-propylvalerova [Czech]; Di-n-propylessigsaeure; VPA; VPA;2-Propylpentanoic Acid; UNII-614OI1Z5WI; NSC 93819; Delepsine; Sprinkle; Valcote; Valparin; Epilex; PEAC; Depakene (TN); MFCD00002672; Vupral; CHEMBL109; (n-C3H7)2CHCOOH; 614OI1Z5WI; CHEBI:39867; Valerin; NSC-93819; NCGC00091149-01; Deproic; Alti-Valproic; Novo-Valproic; Penta-Valproic; Dom-Valproic; Med Valproic; Nu-Valproic; DSSTox_CID_3733; DSSTox_RID_77171; DSSTox_GSID_23733; Valproic acid USP; PMS-Valproic Acid; Valproic acid (USP); CAS-99-66-1; Depakote (TM); SMR000499581; HSDB 3582; 2 PP (base); EINECS 202-777-3; BRN 1750447; valproic-acid; Novo-divalproex; Sandoz valproic; Dom-valproate; Gen-divalproex; Apo-valproic; A-44090; AI3-10500; APO-divalproex; DOM-divalproex; Epival er; PHL-valproate; PMS-valproate; PMS-Divalproex; Erganyl; Stavzor; Dom-valproic acid; Apo-valproic syrup; PHL-valproic acid; Epiject I.V.; 2-propyl-Pentanoate; Epical (TM); Epilim (Salt/Mix); Valproic acid [USAN:USP:INN:BAN]; Depacon (Salt/Mix); Convulex (Salt/Mix); Eurekene (Salt/Mix); G2M-777; Valparin (Salt/Mix); Valproic acid solution; Novo-Valproic - ECC; Spectrum_000521; Divalproex (Salt/Mix); Dom-valproic acid syrup; Ratio-Valproic - ECC; Valdisoval (Salt/Mix); 2 -propylpentanoic acid; di-n-propyl acetic acid; S(-)-4-En-valproate; Spectrum2_000946; Spectrum3_001733; Spectrum4_000376; pentanoic acid, 2-propyl; DOM-valproic acid E.C.; PHL-valproic acid E.C.; PMS-valproic acid E.C.; Novo-valproic soft gel cap; EC 202-777-3; SCHEMBL2275; S-2-n-Propyl-4-pentenoate; (S)-2-propyl-4-pentanoate; KBioGR_000871; KBioGR_002277; KBioSS_001001; KBioSS_002278; MLS001076682; MLS001335927; MLS001335928; MLS002415770; BIDD:GT0858; DivK1c_000273; Valproic acid extended release; SPBio_000912; GTPL7009; DTXSID6023733; WLN: QVY3 & 3; KBio1_000273; KBio2_001001; KBio2_002277; KBio2_003569; KBio2_004845; KBio2_006137; KBio2_007413; KBio3_002626; KBio3_002757; NIJJYAXOARWZEE-UHFFFAOYSA-; Valproic acid [USAN:BAN:INN]; NINDS_000273; HMS2089J06; HMS2231E06; HMS3259C18; HMS3370C21; HMS3715B15; HMS3885G14; ACT05281; ALBB-032973; BCP33204; NSC93819; ZINC3008621; Tox21_111091; Tox21_201963; Tox21_300603; BDBM50003616; LMFA01020291; s3944; STL445581; AKOS009156895; Tox21_111091_1; Valproic Acid 1.0 mg/ml in Methanol; CCG-221127; CS-1765; DB00313; MCULE-7136317196; NC00584; SDCCGSBI-0050864.P004; NCGC00091149-02; NCGC00091149-03; NCGC00091149-04; NCGC00091149-05; NCGC00091149-06; NCGC00091149-08; NCGC00091149-09; NCGC00091149-26; NCGC00162288-07; NCGC00254365-01; NCGC00259512-01; AS-11354; HY-10585; SBI-0050864.P003; FT-0609289; FT-0675769; P0823; A19450; C07185; D00399; AB00698315-06; Q240642; Q-200321; Sodium valproate; 2-Propylpentanoic acid sodium salt; SR-01000075242-7; F2191-0115; Z1511532065; Valproic acid, European Pharmacopoeia (EP) Reference Standard; Valproic acid, United States Pharmacopeia (USP) Reference Standard; Valproic acid for system suitability, European Pharmacopoeia (EP) Reference Standard; Valproic acid solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; Valproic acid, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:39867	DB00313	DR00399	DR1667	144.21	C8H16O2	37.3	93.4	2.8	10	1	2	5	"1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)"	CCCC(CCC)C(=O)O	NIJJYAXOARWZEE-UHFFFAOYSA-N
DG00639	Lamotrigine	3878	"Lamotrigine; 84057-84-1; 6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine; Lamictal; Lamictal Cd; Lamictal XR; Lamotriginum [Latin]; Lamotrigina [Spanish]; Lamotriginum; BW 430C; Lamotrigina; Lamictal ODT; BW-430C; 3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine; 1,2,4-Triazine-3,5-diamine, 6-(2,3-dichlorophenyl)-; BW430C; 3,5-Diamino-6-(2,3-dichlorophenyl)-as-triazine; C9H7Cl2N5; LTG;BW430C; UNII-U3H27498KS; MFCD00865333; CHEMBL741; MLS000069685; CHEBI:6367; U3H27498KS; NSC-759171; NCGC00015605-06; Labileno; Lamitor; SMR000058464; Lamotrigine-13C-d3; DSSTox_CID_3195; DSSTox_RID_76918; DSSTox_GSID_23195; Lamictal (TN); LTg; CAS-84057-84-1; SR-01000000187; EINECS 281-901-8; HSDB 7526; EUR-1048; Lamotrigine [USAN:USP:INN:BAN]; zine-3,5-diamine; Lamotrigine- Bio-X; GI 267119X; Opera_ID_12; Tocris-1611; hydroxymethyl progesterone; Lopac-L-3791; L 3791; Lopac0_000688; SCHEMBL35439; MLS000759486; MLS001077325; MLS001423991; BIDD:GT0794; Lamotrigine (JAN/USP/INN); Lamotrigine, >=98%, powder; GTPL2622; DTXSID2023195; ZINC13156; HMS2051C10; HMS2089M08; HMS2093P21; HMS2230L04; HMS3262I17; HMS3268G17; HMS3371O16; HMS3393C10; HMS3657A17; HMS3715H21; HMS3885M03; Pharmakon1600-01505610; AMY40805; BCP12156; HY-B0495; Lamotrigine 1.0 mg/ml in Methanol; Tox21_110179; Tox21_500688; BDBM50031299; NSC746307; NSC759171; s3024; STK628377; AKOS005561147; Tox21_110179_1; 6-(2,2,4-triazine-3,5-diyldiamine; CCG-100856; DB00555; KS-1074; LP00688; MCULE-7648410888; NC00106; NSC 746307; NSC 759171; NSC-746307; SDCCGSBI-0050666.P003; SMP2_000303; NCGC00015605-01; NCGC00015605-02; NCGC00015605-03; NCGC00015605-04; NCGC00015605-05; NCGC00015605-07; NCGC00015605-08; NCGC00015605-09; NCGC00015605-10; NCGC00015605-23; NCGC00015605-24; NCGC00022936-02; NCGC00022936-04; NCGC00022936-05; NCGC00261373-01; AC-10298; AC-32483; BL166799; K499; Lamotrigine 100 microg/mL in Acetonitrile; SBI-0050666.P002; 6-(2,3-Dichloro-phenyl)-[1,2,4]tria; DB-014839; B2249; EU-0100688; FT-0602546; FT-0670713; FT-0670714; L-205; L0241; SW197486-3; 57L841; A11873; D00354; J10032; W13018; AB00384359-16; AB00384359_17; AB00384359_18; A840709; Q410346; 3,5-diamino-(2,3-dichlorophenyl)-1,2,4-triazine; Q-201221; SR-01000000187-2; SR-01000000187-4; SR-01000000187-7; BRD-K93460210-071-01-6; SR-01000000187-10; 3,5-diamino-6-(2,3,-dichlorophenyl)-1,2,4-triazine; 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine.; F2173-0540; Z1550648755; 6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamine; 6-[2,3-bis(chloranyl)phenyl]-1,2,4-triazine-3,5-diamine; Lamotrigine, British Pharmacopoeia (BP) Reference Standard; Lamotrigine, European Pharmacopoeia (EP) Reference Standard; 6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamine(lamotrigine); GI 267119X; 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine; Lamotrigine, United States Pharmacopeia (USP) Reference Standard; Lamotrigine, Pharmaceutical Secondary Standard; Certified Reference Material; Lamotrigine for peak identification, European Pharmacopoeia (EP) Reference Standard; Lamotrigine for system suitability, European Pharmacopoeia (EP) Reference Standard; Lamotrigine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6367	DB00555	DR00056	DR0913	256.089	C9H7Cl2N5	90.7	242	1.4	16	2	5	1	"1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)"	C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N	PYZRQGJRPPTADH-UHFFFAOYSA-N
DG00640	Levetiracetam	5284583	"Levetiracetam; 102767-28-2; Keppra; (S)-2-(2-Oxopyrrolidin-1-yl)butanamide; Keppra XR; (2S)-2-(2-oxopyrrolidin-1-yl)butanamide; ucb L059; UCB-L 059; Levetiracetamum; Spritam; UCB-L059; (S)-alpha-Ethyl-2-oxo-1-pyrrolidineacetamide; SIB-S1; Levetiracetame; (-)-(S)-alpha-Ethyl-2-oxo-1-pyrrolidineacetamide; UNII-44YRR34555; MFCD03265610; UCB-22059; Levetiracetamum [INN-Latin]; 1-Pyrrolidineacetamide, alpha-ethyl-2-oxo-, (alphaS)-; CHEBI:6437; Levetiracetam In Sodium Chloride; UCB 22059; 44YRR34555; NSC-760119; Levroxa; (S)-(-)-alpha-ethyl-2-oxo-1-pyrrolidineacetamide; matever; Leviteracetam; Levipil; Torleva; Elepsia XR; (S)-Levetiracetam; SMR000466303; Keppra (TN); Levesam 500; Etiracetam levo-isomer; SR-01000759400; Elepsia; Levetiracetam sun; E Keppra; HSDB 7528; Levetiracetam teva; N03AX14; Levetiracetam accord; Levetiracetam [USAN:USP:INN:BAN]; Levetiracetam actavis; Levetiracetam hospira; E keppra (TN); Levetiracetam solution; Levetiracetam- Bio-X; (S)-2-(2-Oxo-1-pyrrolidinyl)butyramide; L-059; 2(S)-(2-OXOPYRROLIDIN-1-YL)BUTYRAMIDE; CHEMBL1286; 1-Pyrrolidineacetamide, alpha-ethyl-2-oxo-, (S)-; MLS000759403; MLS001424069; MLS006010215; BIDD:GT0242; SCHEMBL118843; GTPL6826; Levetiracetam (JAN/USP/INN); DTXSID9023207; AGB-101; Levetiracetam, >=98% (HPLC); Levetiracetam, analytical standard; HMS2051D07; HMS2089L20; HMS2235I18; HMS3262H11; HMS3713P16; HMS3884O11; Pharmakon1600-01502265; ACT02712; ALBB-027275; BCP11856; HY-B0106; ZINC1547851; Tox21_500835; BDBM50422542; NSC760119; s1356; STL388027; Levetiracetam 1.0 mg/ml in Methanol; AKOS015841981; AC-1479; CCG-100928; CS-1854; DB01202; KS-1176; LP00835; LS41261; MCULE-5120797917; NC00178; NSC 760119; SDCCGSBI-0633760.P001; (2S)-(2-Oxopyrrolidin-1-yl)butyramide; NCGC00186028-01; NCGC00186028-13; NCGC00261520-01; (S)-2-(2-oxopyrrolidin-1-yl)butyramide; BL164623; (s)-2-(2-oxopyrrolidin-1-yl) butyramide; AM20070676; L0234; SW197558-3; C07841; D00709; AB00639945-06; AB00639945_07; AB00639945_08; 767L282; A800616; (S)-2-(2-OXO-PYRROLIDIN-1-YL)-BUTYRAMIDE; Q-201292; SR-01000759400-4; SR-01000759400-5; (2S)-2-(2-oxopyrrolidin-1-yl)butanamide;Levetiracetam; (ALPHAS)-ALPHA-ETHYL-2-OXO-1-PYRROLIDINEACETAMIDE; UNII-230447L0GL component HPHUVLMMVZITSG-LURJTMIESA-N; Levetiracetam, European Pharmacopoeia (EP) Reference Standard; Levetiracetam, United States Pharmacopeia (USP) Reference Standard; (-)-(S)-alpha-ethyl-2-oxo-1-pyrrolidineacetamide (2S)-2-(2-Oxo-pyrrolidin-1-yl)butanamide; Levetiracetam solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; Levitiracetam, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6437	DB01202	DR00180	.	170.21	C8H14N2O2	63.4	203	-0.3	12	1	2	3	"1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1"	CC[C@@H](C(=O)N)N1CCCC1=O	HPHUVLMMVZITSG-LURJTMIESA-N
DG00641	Topiramate	5284627	"Topiramate; 97240-79-4; Topamax; Epitomax; Topamax Sprinkle; Tipiramate; Topiramatum; Topina; McN-4853; Tipiramato; Topiramato; Topimax; Topomax; McN 4853; C12H21NO8S; 2,3:4,5-Bis-O-(1-methylethylidene)-beta-D-fructopyranose sulfamate; RWJ-17021-000; RWJ-17021; 2,3:4,5-Di-O-isopropylidene-beta-D-fructopyranose sulfamate; UNII-0H73WJJ391; USL255; USL-255; MFCD00865320; RWJ 17021; [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate; CHEBI:63631; Tipiramate [French]; Tipiramato [Spanish]; 0H73WJJ391; ((3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-3a-yl)methyl sulfamate; Topiramatum [INN-Latin]; topiramatum [Latin]; Topiramato [INN-Spanish]; Epitoma; Topamac; DSSTox_CID_3688; DSSTox_RID_77148; DSSTox_GSID_23688; ((3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl)methyl sulfamate; [(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methyl sulfamate; Topiragen; Topax; Trokendi XR; Qudexy XR; SMR000466325; Topiramate (TPM); TOR; TPM; Topamax (TN); CAS-97240-79-4; BRN 5988957; Sincronil; Qudexy; HSDB 7531; Sulfamate 7; 3hku; 3lxe; USL 255; (-)-topiramate; Topiramate [USAN:USP:INN:BAN]; Topiramate solution; NCGC00095181-01; [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydrodi[1,3]dioxolo[5,4-b:5',3'-d]pyran-3a-yl]methyl sulfamate; Topiramate- Bio-X; Trokendi xr (TN); KS-1122; Spectrum2_001128; beta-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)-, sulfamate; CBChromo1_000352; BIDD:PXR0127; SCHEMBL34631; BSPBio_002306; Topiramate (JAN/USP/INN); Eprontia (liquid formulation); MLS000759431; MLS001424070; BIDD:GT0854; SPECTRUM1505801; SPBio_000995; CHEMBL220492; GTPL6849; DTXSID8023688; BDBM10887; HMS1922H06; HMS2051L09; HMS2093D20; HMS2232H21; HMS3414C15; HMS3678C15; HMS3715I12; HMS3884C17; Pharmakon1600-01505801; [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate (non-preferred name); ACT09031; ALBB-022457; HY-B0122; Tox21_111472; Tox21_302401; 2,3:4,5-Bis-O-(1-methylethylidene)-36-D-fructo-pyranose sulfamate; NSC759251; s1438; ZINC95616603; AKOS000424547; Topiramate 1.0 mg/ml in Acetonitrile; Topiramate, >=98% (HPLC), solid; Tox21_111472_1; CCG-100940; CS-1885; DB00273; MCULE-9403222429; NC00190; NSC 759251; NSC-759251; NCGC00178714-01; NCGC00178714-04; NCGC00178714-18; NCGC00255221-01; BT167048; SBI-0206907.P001; SW197570-3; C07502; D00537; F20536; AB00639961-06; AB00639961-08; AB00639961_09; AB00639961_10; 240T794; A900173; Q221174; SR-01000759409; W-60376; Q-201845; SR-01000759409-4; Z1522553470; 2,3:4,5-Di-O-isopropylidene-b-D-fructopyranose sulfamate; Topiramate, United States Pharmacopeia (USP) Reference Standard; 2,3:4,5-Bis-O-(1-methylethylidene)- -D-fructopyranose sulfamate; Topiramate, Pharmaceutical Secondary Standard; Certified Reference Material; Topiramate solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; [(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate; [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydrodi[1,3]dioxolo[4,5-a:5',3'-d]pyran-3a-yl]methyl sulfamate; 2,3:4,5-bis-O-(1-methylethylidene)-beta-D-fructopyranose 1-sulfamate;2,3:4,5-di-O-isopropylidene-beta-D-fructopyranose sulfamate; Topamax; Tracrium; Toiramate:"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63631	DB00273	DR01372	DR1618	339.36	C12H21NO8S	124	556	-0.8	22	1	9	3	"1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1"	CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C	KJADKKWYZYXHBB-XBWDGYHZSA-N
DG00642	PLX51107	90448953	"PLX51107; 1627929-55-8; (S)-4-(6-(3,5-dimethylisoxazol-4-yl)-1-(1-(pyridin-2-yl)ethyl)-1H-pyrrolo[3,2-b]pyridin-3-yl)benzoic acid; PLX-51107; PLX 51107; UNII-W758F1L9ND; BRD4 inhibitor PLX51107; W758F1L9ND; 4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(pyridin-2-yl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid; 4-(6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-((1S)-1-pyridin-2-ylethyl)pyrrolo(3,2-b)pyridin-3-yl)benzoic acid; 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid; CHEMBL4521078; SCHEMBL16085681; BDBM425592; CQC92955; EX-A1824; PLX 51107 [WHO-DD]; PXL51107; MFCD31657388; NSC806595; s8739; AKOS037648775; NSC-806595; US10519177, Compound P-0511; AC-32941; BS-15563; HY-111422; CS-0040568; D80522; A930121; 4-[6-(3,5-dimethylisoxazol-4-yl)-1- [(1S)-1-(2-pyridyl)ethyl]pyrrolo[3,2- b]pyridin-3-yl]benzoic acid; 4-[6-(3,5-dimethylisoxazol-4-yl)-1-[(1S)-1-(2-pyridyl)ethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid; 6JF; Benzoic acid, 4-(6-(3,5-dimethyl-4-isoxazolyl)-1-((1S)-1-(2-pyridinyl)ethyl)-1H-pyrrolo(3,2-b)pyridin-3-yl)-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB16038	.	.	438.5	C26H22N4O3	94	684	4	33	1	6	5	"1S/C26H22N4O3/c1-15-24(17(3)33-29-15)20-12-23-25(28-13-20)21(18-7-9-19(10-8-18)26(31)32)14-30(23)16(2)22-6-4-5-11-27-22/h4-14,16H,1-3H3,(H,31,32)/t16-/m0/s1"	CC1=C(C(=NO1)C)C2=CC3=C(C(=CN3[C@@H](C)C4=CC=CC=N4)C5=CC=C(C=C5)C(=O)O)N=C2	AMSUHYUVOVCWTP-INIZCTEOSA-N
DG00643	BDGR-4	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB10322	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00644	Galidesivir	10445549	"Galidesivir; Immucillin-A; IMMUCILLIN A; 249503-25-1; BCX4430; BCX 4430 Free Base; BCX-4430; UNII-OLF97F86A7; (2S,3S,4R,5R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-3,4-diol; OLF97F86A7; BCX4430 freebase; ImmA cpd; 3,4-Pyrrolidinediol,2-(4-Amino-5h-Pyrrolo[3,2-D]pyrimidin-7-Yl)-5-(Hydroxymethyl)-2s,3s,4r,5r; BCX4430 (freebase); UA2; CHEMBL1236524; SCHEMBL12468816; GTPL11920; BDBM50513995; HY-18649A; ZINC13492903; CS-3779; DB11676; NCGC00485882-01; BCX-4430 freebase;Immucillin-A;Galidesivir; P14655; A900809; (1S)-1-(9-Carbaadenine-9-yl)-1,4-dideoxy-1,4-imino-D-ribitol; Galidesivir; BCX4430; BCX 4430; BCX-4430;(2S,3S,4R,5R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-3,4-diol"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB11676	.	.	265.27	C11H15N5O3	140	334	-2.1	19	6	7	2	"1S/C11H15N5O3/c12-11-8-6(14-3-15-11)4(1-13-8)7-10(19)9(18)5(2-17)16-7/h1,3,5,7,9-10,13,16-19H,2H2,(H2,12,14,15)/t5-,7+,9-,10+/m1/s1"	C1=C(C2=C(N1)C(=NC=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O	AMFDITJFBUXZQN-KUBHLMPHSA-N
DG00645	Artesunate	6917864	"Artesunate; Artesunic acid; Arsumax; 88495-63-0; Dihydroqinghasu hemsuccinate; Artesunatum; Plasmotrin; Qinghaozhi; Saphnate; Arinate; Artesunato; Zysunate; Asumax; Gsunate Forte; Plasmotrim; UNII-60W3249T9M; CHEBI:63918; Succinyl dihydroartemisinin; 60W3249T9M; Arsuamoon; WR-256283; Butanedioic acid, 1-[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] ester; cosunate; Artesunata; SM 804; Cosinate; 4-oxo-4-(((3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl)oxy)butanoic acid; 4-oxo-4-{[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10-yl]oxy}butanoic acid; Armax 200; Artesunatum [INN-Latin]; Artesunato [INN-Spanish]; Artsuna; Nuartez; Artesunate [USAN:INN:BAN]; HSDB 7458; NSC-712571; Quinghaosu reduced succinate ester; D95; Dihydroartemisinine-12alpha-succinate; .alpha.-artesunic acid; WR 256283; Dihydroqinghaosu hemisuccinate; MLS006011590; CHEMBL361497; GTPL9956; SCHEMBL14552891; LJPC-0118; (3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-ol, hydrogen succinate; ACT02643; HY-N0193; STR09744; BDBM50248021; ZINC14096305; AKOS037515734; CS-8151; DB09274; NCGC00164600-10; NCGC00164600-15; SMR002499399; Q707939; BRD-K54634444-001-05-9; WR-256283;ART;Armax 200;SM-804;HSDB-7458; 4-Oxo-4-(((3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxypyrano(4,3-j)-1,2-benzodioxepin-10-yl hydrogen butanedioate; 4-oxo-4-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid; 4-oxo-4-{[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0 ,(1)(3).0 ,(1)(3)]hexadecan-10-yl]oxy}butanoic acid; Butanedioic acid, mono((3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-yl) ester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63918	DB09274	.	.	384.4	C19H28O8	101	623	2.5	27	1	8	5	"1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1"	C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)O)C	FIHJKUPKCHIPAT-AHIGJZGOSA-N
DG00646	Albendazole	2082	"Albendazole; 54965-21-8; Albenza; Eskazole; Valbazen; Zentel; Proftril; Albendazolum; SK&F 62979; SKF 62979; Andazol; Methyl 5-(propylthio)-2-benzimidazolecarbamate; SK&F-62979; 5-(Propylthio)-2-carbomethoxyaminobenzimidazole; SKF-62979; methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate; (5-(Propylthio)-1H-benzimidazol-2-yl)carbamic acid methyl ester; methyl N-[6-(propylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate; O-Methyl N-(5-(propylthio)-2-benzimidazolyl)carbamate; NSC 220008; UNII-F4216019LN; Carbamic acid, [5-(propylthio)-1H-benzimidazol-2-yl]-, methyl ester; Albendazol; Bilutac; MFCD00083232; CHEMBL1483; CARBAMIC ACID, (5-(PROPYLTHIO)-1H-BENZIMIDAZOL-2-YL)-, METHYL ESTER; methyl [5-(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate; ((Propylthio)-5 1H-benzimidazolyl-2) carbamate de methyle; [5-(Propylthio)benzimidazol-2-yl]carbamic Acid Methyl Ester; CHEBI:16664; Zental; F4216019LN; NSC-220008; methyl [6-(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate; NCGC00016876-01; CAS-54965-21-8; DSSTox_CID_2563; DSSTox_RID_76632; DSSTox_GSID_22563; Albendazol [INN-Spanish]; Albendazolum [INN-Latin]; methyl [5-(propylthio)-1H-benzimidazol-2-yl]carbamate; methyl 5-(propylthio)-1H-benzo[d]imidazol-2-ylcarbamate; Methyl [5-(Propylthio)benzimidazol-2-yl]carbamate; methyl N-(5-propylsulfanyl-1H-benzimidazol-2-yl)carbamate; methyl N-[5-(propylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate; methyl (NZ)-N-(5-propylsulfanyl-1,3-dihydrobenzimidazol-2-ylidene)carbamate; Albenza (TN); HSDB 7444; EINECS 259-414-7; Albendazole (JAN/USP/INN); Zenteltrade mark; Albenzatrade mark; Andazoltrade mark; Eskazoletrade mark; Albendazole,(S); ((Propylthio)-5 1H-benzimidazolyl-2) carbamate de methyle [French]; Prestwick_675; Albendazole(Albenza); Albendazole (Albenza); Albendazole [USAN:USP:INN:BAN:JAN]; Spectrum_001532; CPD000036735; (5-Propylsulfanyl-1H-benzoimidazol-2-yl)-carbamic acid methyl ester; Prestwick0_000247; Prestwick1_000247; Prestwick2_000247; Prestwick3_000247; Spectrum4_000201; Spectrum5_001567; ChemDivAM_000003; ChemDiv1_000190; Oprea1_429292; Oprea1_585016; Oprea1_640007; SCHEMBL44682; BSPBio_000034; BSPBio_002548; KBioGR_000801; KBioSS_002012; MLS000069722; BIDD:GT0615; DivK1c_000704; SPECTRUM1503903; methoxy-N-(5-propylthiobenzimidazol-2-yl)carboxamide; SPBio_002253; BPBio1_000038; DTXSID0022563; HMS502D06; HMS587I14; HXHWSAZORRCQMX-UHFFFAOYSA-; KBio1_000704; KBio2_002012; KBio2_004580; KBio2_007148; NINDS_000704; HMS1568B16; HMS1922K04; HMS2090G19; HMS2093K13; HMS2095B16; HMS2231O03; HMS3259B05; HMS3369C03; HMS3651C15; HMS3712B16; Pharmakon1600-01503903; [5-(Propythio)-1H-benzimidazol-2-yl]carbamic acid methyl ester; BCP12108; HY-B0223; Tox21_110659; Tox21_302300; AC-015; BBL005883; BDBM50241293; CCG-39620; MFCD01220143; N-[6-(propylthio)-1H-benzimidazol-2-yl]carbamic acid methyl ester; NSC220008; NSC758644; s1640; STK387550; STL046130; ZINC17146904; AKOS000540882; AKOS005431684; AKOS005699352; Tox21_110659_1; CCG-220247; DB00518; KS-5159; MCULE-5872469561; NC00615; NSC-758644; IDI1_000704; methyl [(2Z)-5-(propylsulfanyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]carbamate; NCGC00016876-02; NCGC00016876-03; NCGC00016876-04; NCGC00016876-05; NCGC00016876-06; NCGC00016876-07; NCGC00016876-08; NCGC00016876-09; NCGC00016876-10; NCGC00016876-12; NCGC00022896-03; NCGC00022896-04; NCGC00022896-05; NCGC00022896-06; NCGC00022896-07; NCGC00022896-08; NCGC00255250-01; Albendazole, analytical standard, >=98%; H152; SMR000036735; Albendazole 100 microg/mL in Acetonitrile; SBI-0051849.P002; DB-052669; AB00052377; FT-0621945; SW196830-3; EN300-49850; methyl 5-propylthio-2-benzimidazole carbamate; VU0239747-6; BIM-0051849.0001; C01779; D00134; H10782; J10424; Methyl 5-n-propylthio-2-benzimidazolecarbamate; AB00052377-13; AB00052377-14; AB00052377_15; AB00052377_16; A830429; Albendazole, Antibiotic for Culture Media Use Only; Q411629; SR-01000000171; SR-05000001875; methyl 5-(propylthio)-1H-benzimidazol-2-ylcarbamate; Q-200603; Q-200604; SR-01000000171-2; SR-05000001875-1; BRD-K79131256-001-04-7; BRD-K79131256-001-08-8; methyl 6-(propylthio)-1H-benzo[d]imidazol-2-ylcarbamate; Z1245635850; 2-[(Methoxycarbonyl)amino]-5-propylthio-1H-benzimidazole; Albendazole, European Pharmacopoeia (EP) Reference Standard; Methyl (6-(propylthio)-1H-benzo[d]imidazol-2-yl)carbamate; Methyl 5-(propylsulfanyl)-1H-benzimidazol-2-ylcarbamate #; Albendazole, United States Pharmacopeia (USP) Reference Standard; Albendazole, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16664	DB00518	DR01323	DR0055	265.33	C12H15N3O2S	92.3	291	2.9	18	2	4	5	"1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)"	CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC	HXHWSAZORRCQMX-UHFFFAOYSA-N
DG00647	Nitrofurantoin	6604200	"Nitrofurantoin; 67-20-9; Furadantin; 5-Nitrofurantoin; Furadonine; Furadantine; Furadantoin; Furadoine; Furadontin; Furantoin; Nifurantin; Nitrofuradantin; Nitrofurantoine; Berkfurin; Chemiofuran; Furachel; Furadonin; Furatoin; Furobactina; Macrobid; Novofuran; Orafuran; Parfuran; Trantoin; Urantoin; Urofurin; Welfurin; Zoofurin; Cyantin; Cystit; Furalan; Furina; Ituran; Nitoin; Urizept; Urodin; Urolong; Furadantine mc; Uro-Tablinen; Fur-ren; Macrodantin; Macrofuran; Nitrofurantoina; Benkfuran; Dantafur; Furaloid; Nierofu; Macpac; Nitrex; Nitrofurantoinum; Fua Med; N-Toin; Usaf ea-2; 1-(5-Nitro-2-furfurylideneamino)hydantoin; N-(5-Nitrofurfurylidene)-1-aminohydantoin; NITROFURANTOIN, MACROCRYSTALLINE; N-(5-Nitro-2-furfurylidene)-1-aminohydantoin; 1-((5-Nitrofurfurylidene)amino)hydantoin; 1-[(5-Nitrofurfurylidene)amino]hydantoin; 1-(5-Nitro-2-furfurylidenamino)hydantoin; NCI-C55196; NSC 2107; NSC 44150; N-(5-Nitro-2-furfurylideno)-1-aminohydantoina; UNII-927AH8112L; Nitrofurantoin anhydrous; Furadoninum; Nitrofurantoin macrocrystal; 1-(((5-Nitrofuran-2-yl)methylene)amino)imidazolidine-2,4-dione; 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione; Nitrofurantoin, macrocrystals; MLS000028500; Cistofuran; Macrodantina; Macrofurin; Nifuretten; Alfuran; Berkfuran; Ceduran; Furabid; Furedan; Gerofuran; Phenurin; Siraliden; Uerineks; Urofuran; Urolisa; CHEBI:71415; Hydantoin, 1-((5-nitrofurfurylidene)amino)-; PiyEloseptyl; 1-[[(5-Nitro-2-furanyl)methylene]amino]-2,4-imidazolidinedione; Furadantina MC; Furadantine-MC; Furophen T; Nitrofur-C; Ro-Antoin; Furadantin Retard; Uro-Selz; Ivadantin; MFCD00003224; 927AH8112L; SMR000058271; 1-(((5-Nitrofuran-2-yl)methylene)-amino)imidazolidine-2,4-dione; 1-{[(1E)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione; Nitrofurantoina [DCIT]; 2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-; Nitrofurantoine [INN-French]; Nitrofurantoinum [INN-Latin]; Furodantin; 2,4-Imidazolidinedione, 1-(((5-nitro-2-furanyl)methylene)amino)-; Fuamed; NSC-2107; 1-{[(E)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione; Furadantin (TN); Macrobid (TN); CCRIS 1192; Hydantoin, 1-[(5-nitrofurfurylidene)amino]-; HSDB 3135; SR-05000001681; EINECS 200-646-5; NITROFURANTOIN MACROCRYSTALLINE; NSC2107; Furantoina; Furadoin; Furadoxyl; Uvamin; N-(5-Nitro-2-furfurylideno)-1-aminohydantoina [Polish]; NSC44150; 1-[[(5-nitrofuran-2-yl)methylene]amino]imidazolidine-2,4-dione; AI3-26388; Nitrofurantoin (JAN/USP/INN); Furophen T-Caps; NCGC00091505-01; NCGC00091505-07; Prestwick_358; Nitrofurantoin Macro; 5-Nitrofurantoindorn; J01XE01; Nitrofurantoin [USP:INN:BAN:JAN]; ND-3320; ND-7248; Nitrofurantoin, 97%; Nitrofurantoinum anhydrous; Prestwick2_000168; Prestwick3_000168; Spectrum5_001367; Nitrofurantoin, crystalline; CHEMBL572; Nitrofurantoin Macrocrystals; cid_4509; SCHEMBL29470; SCHEMBL29472; BSPBio_000035; BSPBio_002073; BIDD:GT0181; SPECTRUM1500433; BPBio1_000039; BDBM57045; CHEBI:95222; HMS500L06; HMS1568B17; HMS1920P21; HMS2091H16; HMS2095B17; HMS3712B17; Pharmakon1600-01500433; 1-[(E)-(5-nitro-2-furyl)methyleneamino]imidazolidine-2,4-dione; HY-A0090; ZINC7997568; 2,4-Imidazolidenedione, 1-(((5-nitro-2-furanyl)methylene)amino)-; CCG-40108; NSC757243; s4536; STK009471; STL454163; AKOS001678301; DB00698; NSC-757243; IDI1_000224; NCGC00091505-03; NCGC00091505-04; NCGC00091505-05; NCGC00091505-06; NCGC00091505-08; NCGC00091505-09; NCGC00091505-10; LS-13402; 1-((5-nitrofurfurylidene)amino)-hydantoin; SBI-0051457.P003; AB00513815; BB 0310231; N0883; A16008; C07268; D00439; J10193; AB00052052_03; A835659; Hydantoin, n-(5-nitro-2-furfurylidene)-1-amino-; Nitrofurantoin, VETRANAL(TM), analytical standard; Q-201479; SR-05000001681-1; SR-05000001681-2; SR-05000001681-3; SR-05000001681-4; BRD-K76927775-001-05-0; Nitrofurantoin, Antibiotic for Culture Media Use Only; Hydantoin, 1-[(5-nitrofurfurylidene)amino]- (7CI,8CI); 1-((5-nitro-2-furanyl)methylene)amino-2,4-imidazolidenedione; 1-{[(5-nitro-2-furyl)methylene]amino}imidazolidine-2,4-dione; (E)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione; 1-([(5-Nitro-2-furyl)methylidene]amino)-2,4-imidazolidinedione #; 1-[(E)-(5-nitro-2-furanyl)methylideneamino]imidazolidine-2,4-dione; 1-{[(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione; Nitrofurantoin, United States Pharmacopeia (USP) Reference Standard; 1-{[(E)-1-(5-nitro-2-furyl)methylidene]amino}-1H-imidazole-2,4(3H,5H)-dione; 4-hydroxy-1-{[(E)-(5-nitrofuran-2-yl)methylidene]amino}-1,5-dihydro-2H-imidazol-2-one; N-(5-Nitro-2-furfurylidine)-1-aminohydantoin; N-(5-Nitrofurfurylidene)-1aminohydantoin; Nitrofurantoin, Pharmaceutical Secondary Standard; Certified Reference Material; 178170-37-1"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:71415	DB00698	DR00886	DR1169	238.16	C8H6N4O5	121	390	-0.5	17	1	6	2	"1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+"	C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-]	NXFQHRVNIOXGAQ-YCRREMRBSA-N
DG00648	Idelalisib	11625818	"Idelalisib; 870281-82-6; CAL-101; Zydelig; GS-1101; CAL 101; CAL101; (S)-2-(1-((9H-Purin-6-yl)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one; 1146702-54-6; Idelalisib (CAL-101); UNII-YG57I8T5M0; CAL-101 (Idelalisib, GS-1101); GS 1101; (S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one; YG57I8T5M0; CHEMBL2216870; CHEBI:82701; 5-Fluoro-3-phenyl-2-((S)-1-(9H-purin-6-ylamino)-propyl)-3H-quinazolin-4-one; Idelalisib; CAL-101; 5-fluoro-3-phenyl-2-((1s)-1-(9h-purin-6-ylamino)propyl)-4(3h)-quinazolinone; 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one; 5-fluoro-3-phenyl-2-[(1S)-1-(3H-purin-6-ylamino)propyl]quinazolin-4(3H)-one; 5-Fluoro-3-Phenyl-2-[(1s)-1-(7h-Purin-6-Ylamino)propyl]quinazolin-4(3h)-One; Idelalisib [USAN:INN]; Idealisib; 5-FLUORO-3-PHENYL-2-[(1S)-1-(9H-PURIN-6-YLAMINO)PROPYL]-4(3H)-QUINAZOLINONE; Zydelig (TN); MLS006010985; Idelalisib (JAN/USAN/INN); SCHEMBL356400; C22H18FN7O; GTPL6741; QCR-36; SCHEMBL16782604; HSDB 8408; AMY9239; CAL-101/CAL101; EX-A330; GS-11CAL-101; BCPP000307; DTXSID701007266; AOB87313; BCP02532; EX-A1242; BDBM50403068; MFCD19443647; NSC759224; NSC762828; NSC800771; s2226; ZINC13986658; AKOS022186334; Idelalisib (CAL-101,GS-1101); BCP9000471; CCG-264949; CS-0256; DB09054; LS41100; NSC-759224; NSC-762828; NSC-800771; CAL-101 (GS-1101); NCGC00262603-01; NCGC00262603-02; NCGC00262603-04; AC-28394; HY-13026; IC489666; SMR004702787; SW219823-1; X7435; A-1138; D10560; J-517532; Q5908266; BRD-K60866521-001-01-4; (S)-5-fluoro-3-phenyl-2-[1-(9H-purin-6-ylamino)-propyl]-3H-quinazolin-4-one; 4(3H)-Quinazolinone,5-fluoro-3-phenyl-2-[(1S)-1-(1H-purin-6-ylamino)propyl]-; 5-Fluoro-3-phenyl-2-{1-[(9H-purin-6-yl)amino]propyl}quinazolin-4(3H)-one; 1453810-72-4; 40L"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:82701	DB09054	DR00219	DR0854	415.4	C22H18FN7O	99.2	685	3.7	31	2	7	5	"1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1"	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N
DG00651	Bevacizumab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00657	Praziquantel	4891	"Praziquantel; 55268-74-1; Biltricide; Droncit; Pyquiton; Cesol; Embay 8440; Praziquantelum; Azinox; 2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one; 2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one; MLS000038419; Praziquantel (Biltricide); MFCD00058531; SMR000037139; 2-(cyclohexanecarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one; 2-(cyclohexanecarbonyl)-2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one; 135526-78-2; Cutter Tape Tabs; 2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino(2,1-a)isoquinolin-4-one; 2-cyclohexanecarbonyl-1H,2H,3H,4H,6H,7H,11bH-piperazino[2,1-a]isoquinolin-4-one; 4H-Pyrazino(2,1-a)isoquinolin-4-one, 2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-; 4H-Pyrazino[2,1-a]isoquinolin-4-one, 2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-; NSC-757285; Distocide; Prazinon; DSSTox_CID_1182; DSSTox_RID_75995; DSSTox_GSID_21182; Praziquantelum [INN-Latin]; Cutter; Biltricide (TN); CCRIS 4114; SR-01000003100; EINECS 259-559-6; BRN 0761557; Bay-8440; Praziquantel (JAN/USP/INN); EMBAY-8440; Praziquantel,(S); NCGC00016877-01; Prestwick_402; CAS-55268-74-1; (+-)-Praziquantel; Praziquantel [USAN:USP:INN:BAN:JAN]; Spectrum_001119; Opera_ID_378; Prestwick0_000260; Prestwick1_000260; Prestwick2_000260; Prestwick3_000260; Spectrum2_001288; Spectrum3_000550; Spectrum4_000482; Spectrum5_001064; CHEMBL976; P 4668; cid_4891; Lopac0_000909; Oprea1_163497; SCHEMBL44153; BSPBio_000080; BSPBio_002199; KBioGR_000963; KBioSS_001599; 5-24-03-00361 (Beilstein Handbook Reference); MLS000028528; MLS001201812; MLS001304085; MLS002548849; MLS006011880; DivK1c_000130; SPECTRUM1500494; SPBio_001295; SPBio_002299; Praziquantel-(cyclohexyl-d11); BPBio1_000088; DTXSID9021182; SCHEMBL16019896; BDBM74574; CHEBI:91583; HMS500G12; KBio1_000130; KBio2_001599; KBio2_004167; KBio2_006735; KBio3_001699; (S)-2-(Cyclohexanecarbonyl)-2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one; NINDS_000130; HMS1568D22; HMS1920J06; HMS2090J19; HMS2092A09; HMS2095D22; HMS3259K07; HMS3262F20; HMS3655O19; HMS3712D22; Pharmakon1600-01500494; AMY16524; BCP17829; BCP28525; BCP30228; HY-B0244; WZB34336; Tox21_110660; Tox21_201950; Tox21_302927; Tox21_500909; CCG-39773; NSC757285; Praziquantel, anthelminic, neurogenic; s1691; STK030186; AKOS000541869; AKOS016398525; Tox21_110660_1; AC-8426; DB01058; LP00909; MCULE-1638759858; NC00468; NSC 757285; SB49202; SDCCGSBI-0050884.P005; 2-(Cyclohexylcarbonyl)-1,2,3,6,7-11b-hexahydro-4H-pyrazinoe(2,1a)isoquinolin-4-one; IDI1_000130; NCGC00015818-04; NCGC00015818-05; NCGC00015818-06; NCGC00015818-07; NCGC00015818-08; NCGC00015818-11; NCGC00015818-12; NCGC00015818-14; NCGC00015818-15; NCGC00015818-26; NCGC00089733-02; NCGC00089733-03; NCGC00089733-04; NCGC00089733-05; NCGC00256422-01; NCGC00259499-01; NCGC00261594-01; AS-12459; BP166192; SY052322; SBI-0050884.P004; DB-052707; (S)-Praziquantel; Praziquantel, (S)-Isomer; AB00052075; EU-0100909; FT-0630676; P2125; SW196645-3; 1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one; 2-(cyclohexanecarbonyl)-2,3,6,7-tetrahydro-; C07367; D00471; J10194; AB00052075-13; AB00052075-15; AB00052075_16; AB00052075_17; Praziquantel, VETRANAL(TM), analytical standard; 268P741; A830562; Q424145; Praziquantel, Antibiotic for Culture Media Use Only; Q-201612; SR-01000003100-3; SR-01000003100-5; SR-01000003100-7; BRD-A21858158-001-05-2; BRD-A21858158-001-16-9; SR-01000003100-16; F0037-0136; Z1563145961; Praziquantel, European Pharmacopoeia (EP) Reference Standard; Praziquantel, United States Pharmacopeia (USP) Reference Standard; 2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro- 4H-pyrazino[2,1-a]-isoquinolin-4-one; 2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino-[2,1- a]isoquinolin-4-one; 2-(Cyclohexylcarbonyl)-1,2,3,6,7-11b-hexahydro-4H-pyrazino[2,1-aisoquinolin-4-one; 2-[cyclohexyl(oxo)methyl]-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one; 2-Cyclohexylcarbonyl-1,2,3,6,7,11b-hexahydro-4H-pyrazino(2,1-a)isoquinolin-4-one; Praziquantel for system suitability, European Pharmacopoeia (EP) Reference Standard; Praziquantel, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:91583	DB01058	.	DR1329	312.4	C19H24N2O2	40.6	472	2.7	23	0	2	1	"1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2"	C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2	FSVJFNAIGNNGKK-UHFFFAOYSA-N
DG00659	Vardenafil	135400189	"Vardenafil; 224785-90-4; Levitra; Vivanza; UNII-UCE6F4125H; Levitra (TN); 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE; CHEMBL1520; UCE6F4125H; VDN; CHEBI:46295; BAY38-9456; BAY 38-9456; Vardenafil-d5; 224789-15-5; 2-(2-ethoxy-5-((4-ethylpiperazin-1-yl)sulfonyl)phenyl)-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one; 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one; Vardenafil ODT; 2-(2-Ethoxy-5-((4-ethylpiperazin-1-yl)sulfonyl)phenyl)-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(3H)-one; 2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propyl-1H,4H-imidazo[4,3-f][1,2,4]triazin-4-one; HSDB 7304; SR-05000001442; NCGC00167533-01; Vardenafil [USAN:INN:BAN]; Vardenafil (Vivanza); 1189685-70-8; 2-(2-Ethoxy-5-(4-ethylpiperazin-1-yl-1-sulfonyl)phenyl)-5-methyl-7-propyl-3H-imidazo(5,1-f)(1,2,4)triazin-4-one; Vardenafil (USAN/INN); EC 607-088-5; SCHEMBL5772; BSPBio_002392; 1-((3-(3,4-Dihydro-5-methyl-4-oxo-7-propylimidazo(5,1-f)-as-triazin-2-yl)-4-ethoxyphenyl)sulfonyl)-4-ethylpiperazine; GTPL7320; DTXSID3048318; BDBM14776; HMS2089K04; HMS3715F19; BCP02961; EX-A2806; HY-B0442; STK642629; ZINC18324776; AKOS005574038; AKOS015994765; AKOS022186043; BAY-389456; CCG-221149; DB00862; GS-6519; KS-5073; MCULE-5211071344; SB17349; NCGC00167533-03; 2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4-ol; Piperazine, 1-((3-(1,4-dihydro-5-methyl-4-oxo-7-propylimidazo(5,1-f)(1,2,4)triazin-2-yl)-4-ethoxyphenyl)sulfonyl)-4-ethyl-; BCP0726000254; SBI-0206836.P001; FT-0631204; FT-0675783; 85V904; D08668; AB00698215-08; AB01274740-01; AB01274740_02; AB01274740_03; AB01275440-01; Q424161; J-014730; SR-05000001442-1; SR-05000001442-2; BRD-K13926615-003-01-7; BRD-K13926615-003-02-5; Z2790753946; 2-(2-Ethoxy-5-((4-ethylpiperazin-1-yl)sulfonyl)phenyl)-5-methyl-7-propylimidazo(5,1-f)triazin-4(3H)-one; 2-(2-ethoxy-5-(4-ethylpiperazin-1-ylsulfonyl)phenyl)-5-methyl-7-propylimidazo[1,5-f][1,2,4]triazin-4(1H)-one; 2-[2-ethoxy-5-(4-ethyl-piperazine-1-sulphonyl)-phenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one; 2-[2-ethoxy-5-(4-ethyl-piperazine-1-sulphonyl)-phenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazine-4-one; 2-[2-ethoxy-5-(4-ethylpiperazine-1-sulfonyl)phenyl]-5-methyl-7-propyl-1H,4H-imidazo[4,3-f][1,2,4]triazin-4-one; 2-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-5-methyl-7-propyl-imidazo[5,1-f][1,2,4]triazin-4-one; 2-{2-ethoxy-5-[(4-ethylpiperazine-1-)sulfonyl]phenyl}-5-methyl-7-propyl-3H,4H-imidazo[1,5-a][1,2,4]triazin-4-one; citric acid;2-[2-ethoxy-5-(4-ethylpiperazino)sulfonyl-phenyl]-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:46295	DB00862	DR00169	.	488.6	C23H32N6O4S	118	854	2.5	34	1	8	8	"1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)"	CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C	SECKRCOLJRRGGV-UHFFFAOYSA-N
DG00660	Sonidegib	24775005	"Sonidegib; Erismodegib; 956697-53-3; LDE225; NVP-LDE225; Odomzo; LDE-225; NVP-LDE 225; LDE 225; UNII-0RLU3VTK5M; Sonidegib (LDE-225); LDE225 (NVP-LDE225,Erismodegib); 0RLU3VTK5M; 956697-53-3 (free base); N-(6-((2S,6R)-2,6-dimethylmorpholino)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)biphenyl-3-carboxamide; Odomozo; N-(6-((2R,6S)-2,6-dimethylmorpholino)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide; n-(6-((2r,6s)-2,6-dimethylmorpholino)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)biphenyl-3-carboxamide; N-[6-(cis-2,6-dimethylmorpholin-4-yl)pyridin-3-yl]-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide; N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide; Sonidegib [USAN:INN]; Erismodegib [USAN:INN]; Sonidegib phospate; LDE225 (NVP-LDE225; Erismodegib); Sonidegib (USAN/INN); 1218778-76-7; erismodegib (deleted INN); NVP-LDE225(Erismodegib); Sonidegib (NVP-LDE225); MLS006011198; NVP-LDE-225; SCHEMBL554455; GTPL8199; CHEMBL2105737; CHEBI:90863; EX-A409; C26H26F3N3O3; LDE225(NVP-LDE225); DTXSID501009335; BCP02275; LDE225 - NVP-LDE225; BDBM50394562; HY-16582A; MFCD16038928; NSC761385; NSC761386; s2151; ZINC68202099; AKOS015994541; BCP9001014; CCG-264935; CS-0904; DB09143; EE-0005; NSC-761385; NSC-761386; LDE225 (NVP-LDE225, Erismodegib); NCGC00250382-01; NCGC00250382-05; NCGC00250382-07; (1,1'-Biphenyl)-3-carboxamide, N-(6-((2R,6S)-2,6-dimethyl-4-morpholinyl)-3-pyridinyl)-2- methyl-4'-(trifluoromethoxy)-, rel-; [1,1'-Biphenyl]-3-carboxamide, N-[6-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-3-pyridinyl]-2-methyl-4'-(t; AC-32799; HY-10296; N-(6-((cis-2,6-Dimethylmorpholin-4-yl)-3-pyridyl)-2-methyl-3-(4-(trifluoromethoxy)phenyl)benzamide; SMR004702967; SW218115-2; X7564; D10119; BRD-K19796430-001-01-5; Q22075856; [1,1'-Biphenyl]-3-carboxamide, N-[6-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-3-pyridinyl]-2-methyl-4'-(trifluoromethoxy)-, rel-; Erismodegib; ; ; LDE 225; ; ; NVP-LDE 225; ; ; N-[6-[(2S,6R)-2,6-Dimethylmorpholin-4-yl]pyridin-3-yl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide; N-(6-((2R,6S)-2,6-Dimethylmorpholin-4-yl)pyridin-3-yl)-2-methyl-4'- (trifluoromethoxy)biphenyl-3-carboxamide; N-(6-(cis-2,6-Dimethylmorpholino)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide; N-[6-[(2R,6S)-2,6-Dimethyl-4-morphlinyl]-3-pyridinyl]-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide; N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide; rel-N-[6-[(2R,6S)-2,6-Dimethyl-4-morpholinyl]-3-pyridinyl]-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide; rel-N-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl}-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:90863	DB09143	.	.	485.5	C26H26F3N3O3	63.7	691	5.8	35	1	8	5	"1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+"	C[C@@H]1CN(C[C@@H](O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F	VZZJRYRQSPEMTK-CALCHBBNSA-N
DG00661	Miltefosine	3599	"Miltefosine; 58066-85-6; Hexadecylphosphocholine; Miltex; Impavido; Hexadecylphosphorylcholine; HDPC; n-Hexadecylphosphorylcholine; Miltefosinum; Miltefosina; 1-Hexadecylphosphorylcholine; hexadecyl 2-(trimethylammonio)ethyl phosphate; hexadecyl phosphocholine; Miltefosin C; n-hexadecylphosphocholine; hexadecyl 2-(trimethylazaniumyl)ethyl phosphate; D-18506; miltefosin; C21H46NO4P; UNII-53EY29W7EC; NSC605583; hexadecyl (2-(trimethylAmmonio)ethyl) phosphate; monohexadecylphosphocholine; CHEMBL125; monohexadecylphosphorylcholine; HePC;Hexadecyl phosphocholine; 53EY29W7EC; CHEBI:75283; MFCD00133396; MMV688990; NSC-605583; NSC-758968; NCGC00095169-01; Miltefos; DSSTox_CID_25942; DSSTox_RID_81240; DSSTox_GSID_45942; Miltefosinum [INN-Latin]; Miltefosina [INN-Spanish]; Miltefosine [INN:BAN]; Fos-choline 16; Miltefosine (INN); CAS-58066-85-6; D 18506; Choline hexadecyl phosphate; BRN 3690495; Miltextrade mark; HePC Hydrate; Impavidotrade mark; D18506; Impavido (TN); Choline, inner salt; TF-002; 2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethylethanaminium hydroxide, inner salt; NSC 605583; Choline hydroxide, hexadecyl hydrogen phosphate, inner salt; Choline phosphate, hexadecyl ester, hydroxide, inner salt (6CI); Hexadecyl Phosphorylcholine; H-1850; M-7200; Ethanaminium, 2-(((hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt; SCHEMBL26215; 4-04-00-01460 (Beilstein Handbook Reference); SPECTRUM1505329; DTXSID7045942; GTPL11355; Hexadecyl Phosphorylcholine Hydrate; HMS1922D16; HMS2089J15; HMS3649I09; Pharmakon1600-01505329; hexadecylphosphocholine, miltefosine; BCP04506; miltefosine (hexadecylphosphocholine); Tox21_111466; BDBM50034220; CCG-35584; CCG-36097; CCG-40025; DL-131; Hexadecyl 2-(trimethyl-.lambda.~5~-azanyl)ethyl hydrogen phosphate; NSC758968; s3056; 1-N-HEXADECYLPHOSPHORYLCHOLINE; AKOS015914886; Tox21_111466_1; BCP9000927; DB09031; NCGC00095169-02; NCGC00095169-03; NCGC00095169-05; NCGC00095169-07; HY-13685; BCP0726000071; FT-0608148; M2445; hexadecyloxy-2-trimethylammonioethylphosphorate; D02494; AB00642217-03; AB00642217_04; Miltefosine, >=98% (perchloric acid titration); A831718; Q411787; Hexadecyl 2-(Trimethylammonio)ethyl Phosphate Hydrate; 2-[hexadecoxy(hydroxy)phosphoryl]oxyethyl-trimethyl-ammonium; Phosphoric Acid Hexadecyl 2-(Trimethylammonio)ethyl Ester; [2-(Hexadecyloxy-hydroxy-phosphoryloxy)-ethyl]-trimethyl-ammonium; 3, 4-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide; hexadecyl 2-(trimethyl-lambda~5~-azanyl)ethyl hydrogen phosphate; Phosphoric Acid Hexadecyl 2-(Trimethylammonio)ethyl Ester Hydrate; 2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethylethanaminium hydroxide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:75283	DB09031	.	DR1092	407.6	C21H46NO4P	58.6	363	6.7	27	0	4	20	"1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3"	CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C	PQLXHQMOHUQAKB-UHFFFAOYSA-N
DG00662	Acyclovir	135398513	"Acyclovir; Aciclovir; Acycloguanosine; 59277-89-3; Zovirax; Vipral; Virorax; Wellcome-248U; Aciclovirum; 9-[(2-Hydroxyethoxy)methyl]guanine; 2-Amino-9-((2-hydroxyethoxy)methyl)-1H-purin-6(9H)-one; Zovir; Sitavig; 9-(2-Hydroxyethoxy)methylguanine; Acyclovir-side chain-2-3H; 9-HYROXYETHOXYMETHYLGUANINE; W-248-U; 9-((2-Hydroxyethoxy)methyl)guanine; UNII-X4HES1O11F; 2-Amino-9-[(2-hydroxyethoxy)methyl]-1,9-dihydro-6H-purin-6-one; NSC 645011; CHEBI:2453; 2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one; 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; Acyclovir (Aciclovir); 2-Amino-1,9-dihydro-9-((2-hydroxyethoxy)methyl)-6H-purin-6-one; 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-; Zovirax (TN); MFCD00057880; 141294-79-3; 9-[(2-Hydroxyethoxy)-methyl]guanine; 2-Amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-6H-purin-6-one; X4HES1O11F; MLS000069633; Activir; 9-(2-Hydroxyethoxymethyl)guanine; NSC645011; NSC-645011; NSC-758477; AC2; 2-amino-9-((2-hydroxyethoxy)methyl)-3H-purin-6(9H)-one; NCGC00015061-02; Aciclovirum [Latin]; Aciclovier; Hascovir; SMR000058225; Genvir; Maynar; Zyclir; CAS-59277-89-3; 6H-Purin-6-one, 1,9-dihydro-2-amino-9-((2-hydroxyethoxy)methyl)-; 6H-Purin-6-one, 2-amino-1,9-dihydro-9-((2-hydroxyethoxy)methyl)-; DSSTox_CID_2556; 2-amino-9-(2-hydroxyethoxymethyl)purin-6-ol; DSSTox_RID_76626; Aciclovirum [INN-Latin]; DSSTox_GSID_22556; Acicloftal; Cargosil; Gerpevir; Viropump; AcycloFoam; 2-amino-9-[(2-hydroxyethoxy)methyl]-3,9-dihydro-6H-purin-6-one; 2-amino-9-[(2-hydroxyethoxy)methyl]-6,9-dihydro-3H-purin-6-one; Acic; BW-248U; 2-amino-9-{[(2-hydroxyethyl)oxy]methyl}-1,9-dihydro-6H-purin-6-one; Acyclo-V; Acyclovir Lauriad; DRG-0008; Acyclovir (USP); BW 248U; CCRIS 1953; HSDB 6511; SR-01000075540; Acyclovir [USAN:USP]; EINECS 261-685-1; ACV & Pluronic F-68; Acyclovir & Pluronic F-68; Cyclovir; Novirus; Poviral; Sitavir; 2-amino-9-((2-hydroxyethoxy)methyl)-3,9-dihydro-6H-purin-6-one; Prestwick_6; ACYCLOVIR-SIDECHAIN-2-3H; 1pwy; Aciclovir [INN]; BW-248-U; Sitavig (TN); Spectrum_001739; Opera_ID_1674; Prestwick0_000086; Prestwick1_000086; Prestwick2_000086; Prestwick3_000086; Spectrum2_001563; Spectrum3_001874; Spectrum4_000225; Spectrum5_001093; Lopac-A-4669; Aciclovir (JP17/INN); CHEMBL184; A 4669; SCHEMBL3175; Lopac0_000037; BSPBio_000012; BSPBio_003348; KBioGR_000889; KBioSS_002219; BIDD:GT0646; DivK1c_000185; SPECTRUM1503603; SPBio_001466; SPBio_001951; 2-amino-9-[(2-hydroxyethoxy)methyl]hydropurin-6-one; BPBio1_000014; GTPL4829; SCHEMBL9828560; 9(2-hydroxyethoxymethyl)guanine; DTXSID1022556; HMS500J07; KBio1_000185; KBio2_002219; KBio2_004787; KBio2_007355; KBio3_002850; NINDS_000185; HMS1568A14; HMS1922E08; HMS2090G09; HMS2095A14; HMS2234K21; HMS3259N10; HMS3260G15; HMS3269M15; HMS3372K02; HMS3413D21; HMS3655C14; HMS3677D21; HMS3712A14; Pharmakon1600-01503603; BCP11036; ZINC1530555; 9-(2-hydroxyethoxy methyl) guanine; Tox21_110075; Tox21_500037; 69657-51-8 (Na salt); BBL009642; BDBM50021776; BDBM50103518; CCG-39909; NSC758477; NSC780378; s1807; STK796771; STL257059; STL301862; AKOS000656213; AKOS015995680; AKOS022135433; Tox21_110075_1; AC-8068; CS-1353; DB00787; KS-1027; LP00037; MCULE-2703274259; NC00717; NSC-780378; SDCCGSBI-0050026.P003; IDI1_000185; SMP1_000007; NCGC00015061-01; NCGC00015061-03; NCGC00015061-04; NCGC00015061-05; NCGC00015061-06; NCGC00015061-07; NCGC00015061-08; NCGC00015061-09; NCGC00015061-10; NCGC00015061-12; NCGC00015061-13; NCGC00015061-28; NCGC00015061-29; NCGC00022426-03; NCGC00093555-01; NCGC00093555-02; NCGC00093555-03; NCGC00093555-04; NCGC00167756-01; NCGC00167756-02; NCGC00260722-01; NCGC00381719-03; HY-17422; SY051130; Acycloguanosine, >=99% (HPLC), powder; Aciclovir 1.0 mg/ml in Dimethyl Sulfoxide; AM20100442; EU-0100037; FT-0621607; FT-0657847; SW196324-3; C06810; D00222; J10243; 277A893; A832236; A935190; Q147101; Q-200591; SR-01000075540-1; SR-01000075540-3; SR-01000075540-5; 2-amino-9-[(2-hydroxyethoxy)methyl]-9H-purin-6-ol; 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; BRD-K32318651-001-17-9; Aciclovir, British Pharmacopoeia (BP) Reference Standard; F2173-0946; Aciclovir, European Pharmacopoeia (EP) Reference Standard; 2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-purin-6-one; Acyclovir, United States Pharmacopeia (USP) Reference Standard; 2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-purin-6-one (ACV); 2-Amino-9-[(2-hydroxyethoxy)methyl]-1,9-dihydro-6H-purin-6-one #; ACV; Acycloguanosine; Acyclovir; NSC 645011; NSC-645011; NSC645011; Acyclovir, Pharmaceutical Secondary Standard; Certified Reference Material; Aciclovir for peak identification 1, European Pharmacopoeia (EP) Reference Standard; Aciclovir for peak identification 2, European Pharmacopoeia (EP) Reference Standard; Aciclovir for system suitability, European Pharmacopoeia (EP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2453	DB00787	DR00325	.	225.2	C8H11N5O3	115	308	-1.9	16	3	5	4	"1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)"	C1=NC2=C(N1COCCO)N=C(NC2=O)N	MKUXAQIIEYXACX-UHFFFAOYSA-N
DG00677	Trametinib	11707110	"Trametinib; 871700-17-3; GSK1120212; Mekinist; GSK-1120212; JTP 74057; JTP-74057; GSK 1120212; Trametinib (GSK1120212); N-[3-[3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]acetamide; GSK212; UNII-33E86K87QN; TMT212; CHEBI:75998; TMT-212; 33E86K87QN; N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide; N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide; N-(3-(3-cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl)phenyl)acetamide; Trametinib [USAN:INN]; trametinibum; JTP74057; N-(3-(3-Cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7- tetrahydropyrido(4,3-d)pyrimidin-1(2H)-yl)phenyl)acetamide; N-(3-{3-cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7- tetrahydropyrido(4,3-d)pyrimidin-1(2H)-yl}phenyl)acetamide; QOM; Trametinib (USAN); Trametinib (GSK1120212JTP 74057); SCHEMBL170938; C26H23FIN5O4; GTPL6495; QCR-39; GSK1120212 (Trametinib); CHEMBL2103875; EX-A022; BCPP000218; DTXSID901007381; HMS3295I05; HMS3656J11; AOB87707; BCP02307; BDBM50531540; MFCD17215075; NSC758246; NSC800956; s2673; ZINC43100709; AKOS015850628; AM90271; CCG-264976; CS-0060; DB08911; EX-5957; NSC-758246; NSC-800956; SB16553; NCGC00263180-01; NCGC00263180-07; NCGC00263180-14; AC-25891; AS-19382; HY-10999; N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodo-anilino)-6,8-dimethyl-2,4,7-trioxo-pyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide; FT-0688438; SW218089-2; X7454; A25168; D10175; GSK1120212 - JTP-74057; GSK1120212,JTP-74057, GSK212; SR-01000941589; A1-01871; J-523325; Q7833138; SR-01000941589-1; BRD-K12343256-001-01-4; Acetamide, N-(3-(3-cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-3,4,6,7-tetrahydro-6,8- dimethyl-2,4,7-trioxopyrido(4,3-d)pyrimidin-1(2H)-yl)phenyl)-; Acetamide, N-[3-[3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]-; N-(3-(3-cyclopropyl-5-(2-fluoro-4-iodophenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl)phenyl)acetamide; N-[3-[3-Cyclopropyl-5-[(2-Fluoro-4-Iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2h)-yl]phe nyl]acetamide; N-[3-[3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxopyrido[3,4-e]pyrimidin-1-yl]phenyl]acetamide; N-{3-[3-Cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl}ethanimidic acid; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodophenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]phenyl}acetamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:75998	DB08911	.	.	615.4	C26H23FIN5O4	102	1090	3.4	37	2	6	5	"1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)"	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N
DG00678	Ethambutol	14052	"Ethambutol; 74-55-5; Ethambutolum; Aethambutolum; D-Ethambutol; (+)-S,S-Ethambutol; Ethambutol Hydrochloride; (+)-ethambutol; (S,S)-ethambutol; Myambutol; (2S,2'S)-2,2'-(Ethane-1,2-diylbis(azanediyl))bis(butan-1-ol); Etambutolo [DCIT]; Tibutol; Etambutol [INN-Spanish]; Ethambutolum [INN-Latin]; S,S-Ethambutol; Diambutol; Ebutol; CHEBI:4877; UNII-8G167061QZ; (+)-2,2'-(Ethylenediimino)di-1-butanol; Purderal; (+)-N,N'-Bis(1-(hydroxymethyl)propyl)ethylenediamine; EMB; (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol; 8G167061QZ; (2R)-2-[2-(1-hydroxybutan-2-ylamino)ethylamino]butan-1-ol; 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (2S,2'S)-; 1-Butanol,2,2'-(1,2-ethanediyldiimino)bis-, (2S,2'S)-; (2S,7S)-2,7-diethyl-3,6-diazaoctane-1,8-diol; (2S,2'S)-2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol; Etambutolo; C10H24N2O2; D-2,2'-(Ethylenediimino)di-1-butanol; D-2,2'-(Ethylenediimino)bis(1-butanol); 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (S-(R*,R*))-; Ethambutol, racemic mixture; 1-Butanol, 2,2'-(ethylenediimino)di-, (+)-; d,N,N'-Bis(1-hydroxymethylpropyl)ethylenediamine; D-N,N'-Bis(1-hydroxymethylpropyl)ethylenediamine; Ethambutol [INN:BAN]; (R)-2,2'-(1,2-Ethanediyldiimino)bis-1-butanol; NCGC00178864-03; 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (R-(R*,R*))-; HSDB 3078; Servambutol (TN); 95E; Ethambutol (INN); EINECS 200-810-6; Spectrum_001058; Spectrum2_001014; Spectrum3_000426; Spectrum4_000545; Spectrum5_000702; 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (R)-; Myambutol (dihydrochloride); SCHEMBL3399; BSPBio_002012; KBioGR_001209; KBioSS_001538; CHEMBL44884; DivK1c_000561; SPBio_001167; CL 40881 (dihydrochloride); DTXSID8023006; KBio1_000561; KBio2_001538; KBio2_004106; KBio2_006674; KBio3_001232; NINDS_000561; HY-B0535; 2860AH; BDBM50448407; ZINC19364219; DB00330; MCULE-9663372083; IDI1_000561; NCGC00178864-01; NCGC00178864-04; SBI-0051375.P003; C06984; D07925; D94801; E-3950; AB00053473_04; AB00053473_05; Q412318; (S,S)-2,2'-(1,2-Ethanediyldiimino)bis-1-butanol; BRD-K93231391-300-03-1; (+)-(S,S)-2,2'-(1,2-Ethylenediimino)-di-1-butanol; Ethambutol dihydrochloride, Antibiotic for Culture Media Use Only; (2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol; (2S)-2-[2-[[(1S)-1-(hydroxymethyl)propyl]amino]ethylamino]butan-1-ol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4877	DB00330	.	.	204.31	C10H24N2O2	64.5	109	-0.1	14	4	4	9	"1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1"	CC[C@@H](CO)NCCN[C@@H](CC)CO	AEUTYOVWOVBAKS-UWVGGRQHSA-N
DG00695	Tacrine	1935	"Tacrine; 1,2,3,4-tetrahydroacridin-9-amine; 321-64-2; Tetrahydroaminacrine; 1,2,3,4-TETRAHYDRO-9-ACRIDINAMINE; Tetrahydroaminoacridine; Tetrahydroaminocrine; Cognex; Tetrahydroaminocrin; 9-amino-1,2,3,4-tetrahydroacridine; Tacrinum; 9-Acridinamine, 1,2,3,4-tetrahydro-; CS 12602; UNII-4VX7YNB537; 1,2,3,4-Tetrahydro-9-aminoacridine; Acridine, 1,2,3,4-tetrahydro-9-amino-; CHEMBL95; 5-Amino-6,7,8,9-tetrahydroacridine; 4VX7YNB537; CHEBI:45980; 5,6,7,8-tetrahydroacridin-9-amine; tacrine.HCl; NCGC00015054-06; Tacrina; Tacrine [INN:BAN]; Tacrinum [INN-Latin]; Tacrina [INN-Spanish]; DSSTox_CID_17272; DSSTox_RID_79318; DSSTox_GSID_37272; Tacrinal; Tacrinal (TN); CAS-321-64-2; Tacrine (INN); EINECS 206-291-2; 5-Amino-6,7,8,9-tetrahydroacridine (European); BRN 0147610; 1,2,3,4-Tetrahydro-acridin-9-ylamine; Tracine; 1acj; 2aow; 2aox; 1,2,3,4-Tetrahydro-9-acridineamine; Romotal (Salt/Mix); Spectrum_000416; Tocris-0965; 1mx1; Prestwick0_000329; Prestwick1_000329; Prestwick2_000329; Prestwick3_000329; Spectrum2_001812; Spectrum3_001709; Spectrum4_000819; Spectrum5_001402; Lopac-A-3773; cid_1935; SCHEMBL2828; 9-THA; NCIOpen2_003667; Lopac0_000036; Oprea1_008681; Acridine, 9-aminotetrahydro-; BSPBio_000337; BSPBio_003298; KBioGR_001337; KBioSS_000896; BIDD:GT0090; DivK1c_000936; SPBio_001823; SPBio_002258; BDBM8961; BPBio1_000371; GTPL6687; DTXSID1037272; KBio1_000936; KBio2_000896; KBio2_003464; KBio2_006032; KBio3_002518; NINDS_000936; HMS2089F19; HMS3743C11; BCP03564; Tox21_110073; Tox21_302277; MFCD00046923; PDSP1_000330; PDSP2_000328; STK101308; ZINC19014866; AKOS000277493; Tox21_110073_1; BCP9000019; CCG-204132; DB00382; MCULE-3628803328; SDCCGSBI-0050025.P004; 1,2,3,4-tetra -hydro-9-acridinamine; IDI1_000936; NCGC00015054-01; NCGC00015054-02; NCGC00015054-03; NCGC00015054-04; NCGC00015054-05; NCGC00015054-07; NCGC00015054-08; NCGC00015054-09; NCGC00015054-10; NCGC00015054-12; NCGC00024908-01; NCGC00024908-03; NCGC00024908-04; NCGC00024908-05; NCGC00255540-01; 1,2,3,4-tetrahydro-acridin-9-yl-amine; BS-28027; Acridine, 9-amino-1,2,3,4-tetrahydro-; SBI-0050025.P003; DB-000650; 9-amino-1,2,3,4-tetrahydroacridine (THA); AB00053524; C-110; EU-0010966; FT-0631953; 9-Acridinamine, 1,2,3,4-tetrahydro- (9CI); A18628; C01453; D08555; AB00053524-17; AB00053524_18; AB00053524_19; AE-641/00604043; Q421076; BRD-K81473089-003-03-0; BRD-K81473089-003-04-8; BRD-K81473089-003-15-4; SR-01000075593-13; Z56790573"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45980	DB00382	DR00183	.	198.26	C13H14N2	38.9	229	2.7	15	1	2	0	"1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)"	C1CCC2=NC3=CC=CC=C3C(=C2C1)N	YLJREFDVOIBQDA-UHFFFAOYSA-N
DG00705	Bicalutamide	2375	"Bicalutamide; 90357-06-5; Casodex; Cosudex; Bicalutamide (CDX); Calutide; ICI 176334; ICI-176334; N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide; N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methylpropanamide; Bicalutamide (Casodex); CHEMBL409; ICI 176,334; MFCD00869971; N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide; NSC-759816; Raffolutil; Kalumid; SMR000466329; Casodex (TN); SR-01000759410; BRN 5364666; Bicalutamine; Bicalutamide (JAN/USP/INN); Propanamide,; CCRIS 8728; HSDB 7655; Bicalutamide [USAN:USP:INN:BAN]; (+-)-4'-Cyano-alpha,alpha,alpha-trifluoro-3-((p-fluorophenyl)sulfonyl)-2-methyl-m-lactotoluidide; KS-1161; Bicalutamide - Casodex; CPD000466329; SCHEMBL3611; (R)-(-)-Bicalutamide-d4; MLS000759437; MLS001424047; Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methyl-, (+-)-; S-(+)-Bicalutamide-[d4]; GTPL2863; DTXSID2022678; BDBM18525; CHEBI:91617; AOB5596; EX-A962; CHEBI:144093; BCPP000337; HMS2051B13; HMS2089N12; HMS2232H03; HMS3263M13; HMS3372K05; HMS3393B13; HMS3654K18; HMS3714P13; Pharmakon1600-01504827; ACT06291; AMY33430; BCP02110; Tox21_501026; NSC722665; NSC759816; s1190; AKOS015895073; AC-4232; BCP9000408; CCG-100951; CCG-220876; CCG-222330; CS-1296; DB01128; LP01026; NC00201; NSC 759816; NSC-722665; SB17301; SDCCGSBI-0633779.P001; N-(4-cyano-3-(trifluoromethyl)phenyl); NCGC00167977-01; NCGC00167977-02; NCGC00167977-03; NCGC00167977-09; NCGC00167977-20; NCGC00261711-01; HY-14249; ICI176,334-1; Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-; DB-041165; B3206; FT-0618286; FT-0631069; FT-0663100; SW197581-4; Bicalutamide (CDX), >=98% (HPLC), powder; C08160; D00961; J10442; AB00639963-06; AB00639963-08; AB00639963-09; AB00639963_10; 357B065; A803039; A843528; Q1988832; SR-01000759410-4; SR-01000759410-5; BRD-A29485665-001-03-7; Bicalutamide, British Pharmacopoeia (BP) Reference Standard; Bicalutamide, European Pharmacopoeia (EP) Reference Standard; Bicalutamide, United States Pharmacopeia (USP) Reference Standard; 4'-cyano-3-[(4- fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-3'-trifluoromethylpropionanilide; 4'-cyano-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-3'-trifluoromethylpropionanilide; Bicalutamide for system suitability, European Pharmacopoeia (EP) Reference Standard; Bicalutamide, Pharmaceutical Secondary Standard; Certified Reference Material; N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methyl-N-phenylpropanamide; N-(4-cyano-3-(trifluoromethyl)phenyl)-3-(4-fluorophenylsulfonyl)-2-hydroxy-2-methylpropanamide; N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-methyl-2-oxidanyl-propanamide; N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorobenzene)sulfonyl]-2-hydroxy-2-methylpropanamide; N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropionamide; N-[4-cyano-3-trifluoromethyl-phenyl]-3-[4-fluorophenyl-sulfonyl]-2-hydroxy-2-methyl-propionamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:91617	DB01128	DR00795	DR0210	430.4	C18H14F4N2O4S	116	750	2.3	29	2	9	5	"1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)"	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N
DG00717	Cilostazol	2754	"Cilostazol; 73963-72-1; Pletal; Cilostazole; Pletaal; OPC-13013; Cilostazolum; Cilostazolum [INN-Latin]; OPC 13013; OPC 21; OPC-21; 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one; C20H27N5O2; 6-(4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy)-3,4-dihydro-2(1H)-quinolinone; 6-(4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy)-3,4-dihydroquinolin-2(1H)-one; UNII-N7Z035406B; CHEBI:31401; 3,4-Dihydro-6-(4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy)-2(1H)-quinolinone; 6-(4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy)-3,4-dihydrocarbostyril; 6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydroquinolin-2(1H)-one; 6-[4-(1-cyclohexyl-1H-1,2,3,4-tetrazol-5-yl)butoxy]-1,2,3,4-tetrahydroquinolin-2-one; MLS000028470; 6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydro-2(1H)-quinolinone; MFCD00866780; N7Z035406B; NSC-758936; NCGC00015207-07; SMR000058428; DSSTox_CID_25132; DSSTox_RID_80693; DSSTox_GSID_45132; CAS-73963-72-1; Pletal (TN); SR-01000003107; BRN 3632107; Cilostazol,(S); Cilostazol-[d11]; Cilostazol [USAN:USP:INN:BAN:JAN]; Tocris-1692; Opera_ID_488; Spectrum2_001118; Spectrum3_001170; Spectrum4_000772; Spectrum5_001762; Lopac-C-0737; CHEMBL799; C 0737; Lopac0_000218; REGID_for_CID_2754; SCHEMBL16128; BSPBio_002759; KBioGR_001184; MLS000758281; MLS000759507; MLS001076067; MLS002153891; SPECTRUM1505230; SPBio_001256; Cilostazol (JP17/USP/INN); GTPL7148; DTXSID9045132; HSDB 8312; KBio3_002259; BCPP000279; HMS1922N15; HMS2093M14; HMS2096F16; HMS2234C06; HMS3260L17; HMS3268O09; HMS3412B18; HMS3654J13; HMS3676B18; HMS3713F16; Pharmakon1600-01505230; ACT02663; BCP03724; ZINC1552174; Tox21_110098; Tox21_500218; BDBM50225508; CCG-39646; NSC758936; s1294; AKOS015855512; Cilostazol, >=98% (HPLC), powder; OPC 13013; OPC 21; Pletaal; Tox21_110098_1; AC-4334; AM90304; BCP9000530; CS-1759; DB01166; KS-5154; LP00218; MCULE-8893820969; NSC 758936; SDCCGSBI-0050206.P003; 2(1H)-Quinolinone, 3,4-dihydro-6-(4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy)-; 2(1H)-Quionlinone, 6-(4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy)-3,4-dihydro-; 6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)-butoxy]-3,4-dihydro-2(1H)-quinolinone; NCGC00015207-01; NCGC00015207-02; NCGC00015207-03; NCGC00015207-04; NCGC00015207-05; NCGC00015207-06; NCGC00015207-08; NCGC00015207-09; NCGC00015207-10; NCGC00015207-11; NCGC00015207-12; NCGC00015207-25; NCGC00022153-02; NCGC00022153-04; NCGC00022153-05; NCGC00022153-06; NCGC00022153-07; NCGC00260903-01; HY-17464; BCP0726000145; RETAL;PLETAL;OPC 21;PLETAAL;Cilostal; SBI-0050206.P002; EU-0100218; FT-0602474; FT-0645036; FT-0665038; SW199053-2; D01896; F20538; J90029; AB00382988-14; AB00382988_15; AB00382988_16; 963C721; A837982; Q258591; Q-200854; SR-01000003107-2; SR-01000003107-4; SR-01000003107-7; BRD-K67017579-001-04-2; BRD-K67017579-001-05-9; BRD-K67017579-001-07-5; BRD-K67017579-001-13-3; BRD-K67017579-001-17-4; SR-01000003107-10; Cilastatin sodium, Antibiotic for Culture Media Use Only; Cilostazol, United States Pharmacopeia (USP) Reference Standard; 6-[4-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)butoxy]-3,4-dihydrocarbostyril; 6-[4-(l-cyclohexyl-1,2,3,4-tetrazol-5-yl)butoxyl]-3,4-dihydrocarbostyril; Cilostazol, Pharmaceutical Secondary Standard; Certified Reference Material; 2(1H)-Quinolinone, 6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydro-; 6-(4-(1-CYCLOHEXYL-1H-TETRAZOL-5-YL)BUTOXY)QUINOLINE-2,3(1H,4H)-DIONE; 6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)-butoxy]-3,4-dihydro-1H-quinolin-2-one; 89332-50-3"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31401	DB01166	DR01322	DR0324	369.5	C20H27N5O2	81.9	485	3.1	27	1	5	7	"1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)"	C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4	RRGUKTPIGVIEKM-UHFFFAOYSA-N
DG00718	Cloperastine	2805	"Cloperastine; 3703-76-2; 1-(2-((4-chlorophenyl)(phenyl)methoxy)ethyl)piperidine; Cloperastine [INN]; 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine; HT-11; Piperidine, 1-[2-[(4-chlorophenyl)phenylmethoxy]ethyl]-; Cloperastine (hydrochloride); Cloperastine (INN); Cloperastina; Cloperastinum; Cloperastinum [INN-Latin]; Cloperastina [INN-Spanish]; NSC-758635; HT 11; EINECS 223-042-3; 1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}piperidine; BRN 0275589; 1-(2-((4-Chlorophenyl)phenylmethoxy)ethyl)piperidine; cloperastine-fendizoate; Spectrum_001570; Prestwick0_000793; Prestwick1_000793; Prestwick2_000793; Prestwick3_000793; Spectrum2_001596; Spectrum3_001895; Spectrum4_000844; Spectrum5_001448; BSPBio_000926; BSPBio_003430; KBioGR_001447; KBioSS_002050; 5-20-02-00105 (Beilstein Handbook Reference); DivK1c_000840; SCHEMBL284715; SPBio_001592; SPBio_002865; BPBio1_001020; CHEMBL415087; 1- 2-((p-Chloro-alpha-phenylbenzyl)oxy)ethyl piperidine; 1-{2-((p-Chloro-alpha-phenylbenzyl)oxy)ethyl}piperidine; DTXSID7048532; CHEBI:94448; KBio1_000840; KBio2_002050; KBio2_004618; KBio2_007186; KBio3_002933; NINDS_000840; Piperidine, 1-(2-((p-chloro-alpha-phenylbenzyl)oxy)ethyl)-; BDBM50237287; STK646871; AKOS005577799; DB09002; NSC 758635; IDI1_000840; NCGC00178069-01; NCGC00178069-02; NCGC00178069-03; M201; SBI-0051861.P002; AB00053681; FT-0746924; VU0244436-2; D03557; AB00053681_08; Q2055825; BRD-A80908310-003-05-4; BRD-A80908310-003-08-8; 1-[2-[(4-chlorophenyl)-phenyl-methoxy]ethyl]piperidine; 1-(2-[(4-Chlorophenyl)(phenyl)methoxy]ethyl)piperidine #; 1-(2-[(p-Chloro-.alpha.-phenylbenzyl)oxy]ethyl)piperidine; Piperidine, 1-(2-((p-chloro-.alpha.-phenylbenzyl)oxy)ethyl)-; Piperidine, 1-(2-((4-chlorophenyl)phenylmethoxy)ethyl)- (9CI); Piperidine, 1-[2-[(4-chlorophenyl)phenylmethoxy]ethyl]-, hydrochloride"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94448	DB09002	.	.	329.9	C20H24ClNO	12.5	318	4.8	23	0	2	6	"1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2"	C1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl	FLNXBVJLPJNOSI-UHFFFAOYSA-N
DG00724	Dicyclomine	3042	"Dicyclomine; Dicycloverin; Dicycloverine; Bentyl; Bentylol; Diocyl; Wyovin; 77-19-0; Di-syntramine; Dicicloverina; Dicycloverinum; Merbentyl; Procyclomin; Bentomine; Mamiesan; Sawamin; Atumin; Dyspas; 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate; Oxityl-P; Diocyl hydrochloride; Wyovin hydrochloride; UNII-4KV4X8IF6V; Dicycloverin hydrochloride; [1,1'-Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester; (1,1'-Bicyclohexyl)-1-carboxylic acid, 2-(diethylamino)ethyl ester; 4KV4X8IF6V; CHEMBL1123; 2-(diethylamino)ethyl 1-cyclohexylcyclohexanecarboxylate; 2-(diethylamino)ethyl 1,1'-bi(cyclohexyl)-1-carboxylate; CHEBI:4514; (Bicyclohexyl)-1-carboxylic acid, 2-(diethylamino)ethyl ester; Bicyclohexyl-1-carboxylic acid 2-diethylamino-ethyl ester; NCGC00015368-06; Diethylaminocarbethoxybicyclohexyl hydrochloride; Dicymine; Dicycloverinum [INN-Latin]; Dicicloverina [INN-Spanish]; DSSTox_CID_2926; DSSTox_RID_76790; DSSTox_GSID_22926; Bentyl hydrochloride; Bentylol; Dicyclomine; Dicycloverin; Dicycloverine; Bentylol hydrochloride; Dicycloverine [INN:BAN]; CAS-77-19-0; Dicymine (TN); Dicyclomine [INN]; Dicycloverine (INN); HSDB 3058; NSC-404381; EINECS 201-009-4; Bicyclohexyl-1-carbonsaeure-2'diethylaminoethylester; Byclomine; Kolantyl; [Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester; Bis(cyclohexyl)carboxylic acid diethylaminoethyl ester hydrochloride; 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate; Spectrum_000934; Prestwick0_000048; Prestwick1_000048; Prestwick2_000048; Prestwick3_000048; Spectrum2_000590; Spectrum3_000388; Spectrum4_000509; Spectrum5_000873; Lopac-D-7909; Dicycloverine (Dicyclomine); SCHEMBL3317; Lopac0_000432; BSPBio_000175; BSPBio_002175; GTPL355; KBioGR_001057; KBioSS_001414; DivK1c_000162; SPBio_000440; SPBio_002096; BPBio1_000193; DTXSID1022926; CURUTKGFNZGFSE-UHFFFAOYSA-; KBio1_000162; KBio2_001414; KBio2_003982; KBio2_006550; KBio3_001395; NINDS_000162; HMS3604H12; ZINC1530613; Tox21_113571; 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate hydrochloride; BDBM50010101; NSC404381; STL356799; [Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester hydrochloride; AKOS022107181; Tox21_113571_1; CCG-204524; DB00804; MCULE-9110194493; SDCCGSBI-0050417.P005; CAS-67-92-5; IDI1_000162; NCGC00015368-01; NCGC00015368-02; NCGC00015368-03; NCGC00015368-04; NCGC00015368-05; NCGC00015368-07; NCGC00015368-08; NCGC00015368-11; NCGC00015368-17; NCGC00016300-01; NCGC00024386-03; NCGC00024386-04; SBI-0050417.P004; AB00053456; WLN: L6TJ A- AL6TJ AVO2N2&2 &GH; (Bicyclohexyl)-1-carboxylic acid, hydrochloride; C06951; D07820; [1, 2-(diethylamino)ethyl ester, hydrochloride; AB00053456_14; AB00053456_15; L000680; Q2662662; 2-diethylaminoethyl 1-cyclohexylcyclohexanecarboxylate; BRD-K68507560-003-05-5; BRD-K68507560-003-15-4; .beta.-Diethylaminoethyl-1-cyclohexylhexahydrobenzoate hydrochloride; .beta.-Diethylaminoethyl 1-cyclohexylcyclohexanecarboxylate hydrochloride; 104959-55-9"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4514	DB00804	DR00767	DR2280	309.5	C19H35NO2	29.5	326	5.5	22	0	3	8	"1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3"	CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2	CURUTKGFNZGFSE-UHFFFAOYSA-N
DG00737	Fenofibrate	3339	"Fenofibrate; 49562-28-9; Procetofen; Lipantil; Tricor; Lipanthyl; Fenobrate; Lipidil; Secalip; Antara; Finofibrate; Lipoclar; Lipofene; Proctofene; Triglide; Fenogal; Lipirex; Sedufen; Elasterin; Fenoglide; Fenotard; Protolipan; Ankebin; Lipidex; Lipifen; Lipofen; Liposit; Lipsin; Nolipax; Fenofibratum [INN-Latin]; propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate; Fenofibrato [INN-Spanish]; Lipantil (TN); Tricor (TN); LF-178; Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropanoate; C20H21ClO4; Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropionate; 2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester; NSC 281319; UNII-U202363UOS; Isopropyl (4'-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate; FNF; Elasterate; Procetofene; Luxacor; MFCD00133314; CHEMBL672; Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-, 1-methylethyl ester; MLS000028515; CHEBI:5001; isopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate; Lofibra; U202363UOS; Propanoic acid, 2-(4-(4-chlorobenzoyl)phenoxy)-2-methyl-, 1-methylethyl ester; NSC-281319; NCGC00015437-10; Fenofibrato; Fenofibratum; Isopropyl 2-(p-(p-chlorobenzoyl)phenoxy)-2-methylpropionate; SMR000058299; Supralip; CAS-49562-28-9; DSSTox_CID_9874; propan-2-yl 2-{4-[(4-chlorophenyl)carbonyl]phenoxy}-2-methylpropanoate; DSSTox_RID_78828; DSSTox_GSID_29874; TRICOR (MICRONIZED); Antara (micronized); Fenomax; Isopropyl 2-[p-(p-chlorobenzoyl)phenoxy]-2-methylpropionate; Pharmavit; FENOFIBRATE (MICRONIZED); Fulcro; 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid isopropyl ester; 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropionic Acid Isopropyl Ester; CIP-Fenofibrate; 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1-methylethyl ester; LCP-FenoChol; LCP-Feno; Triglide (TN); Fenofibrate IDD-P; Lipofen (TN); Antara (TN); CCRIS 7282; SR-01000000091; EINECS 256-376-3; LF 178; BRN 2062462; Procetoken; Isopropyl 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropionate; HSDB 7736; Fenofibrate,(S); GRS-027; Fenofibrate [USAN:USP:INN:BAN]; Prestwick_217; Fenofibrate micronized; Spectrum_001250; Opera_ID_328; Prestwick0_000275; Prestwick1_000275; Prestwick2_000275; Prestwick3_000275; Spectrum2_001390; Spectrum3_001431; Spectrum4_000413; Spectrum5_001479; Lopac-F-6020; Fenofibrate delayed release; EC 256-376-3; F 6020; SCHEMBL4670; Lopac0_000486; BSPBio_000150; BSPBio_003162; KBioGR_000706; KBioSS_001730; MLS001148191; MLS002548878; BIDD:GT0574; DivK1c_000557; Fenofibrate (JAN/USP/INN); SPECTRUM1501010; SPBio_001380; SPBio_002369; Fenofibrate, >=99%, powder; BPBio1_000166; Fenofibrate (Tricor, Trilipix); GTPL7186; DTXSID2029874; HMS501L19; KBio1_000557; KBio2_001730; KBio2_004298; KBio2_006866; KBio3_002382; NINDS_000557; HMS1568H12; HMS1921B17; HMS2090G20; HMS2092B05; HMS2095H12; HMS2231B14; HMS3259K03; HMS3261B13; HMS3369M13; HMS3649D20; HMS3655K12; HMS3712H12; isopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoate; Pharmakon1600-01501010; ZINC584092; ALBB-028958; BCP21243; Tox21_110147; Tox21_300151; Tox21_500486; BDBM50085042; CCG-38996; NSC281319; NSC757822; s1794; AKOS005107777; Tox21_110147_1; AB03716; AC-4227; CS-0892; DB01039; LP00486; MCULE-9460650238; MS-2223; NC00452; NSC-757822; SDCCGSBI-0050470.P004; IDI1_000557; NCGC00015437-01; NCGC00015437-02; NCGC00015437-03; NCGC00015437-04; NCGC00015437-05; NCGC00015437-06; NCGC00015437-07; NCGC00015437-08; NCGC00015437-09; NCGC00015437-11; NCGC00015437-12; NCGC00015437-13; NCGC00015437-14; NCGC00015437-16; NCGC00015437-17; NCGC00015437-31; NCGC00021475-03; NCGC00021475-04; NCGC00021475-05; NCGC00021475-06; NCGC00021475-07; NCGC00021475-08; NCGC00253945-01; NCGC00261171-01; FENOFIBRATE (MICRONIZED) (fenofibrate; Fenofibrate, analytical reference material; HY-17356; SY052561; SBI-0050470.P003; DB-051642; AB00052196; EU-0100486; F0674; FT-0626400; FT-0654669; SW196525-4; C07586; D00565; J10318; AB00052196-15; AB00052196-16; AB00052196_17; AB00052196_18; 562F289; A827746; Q419724; Q-201111; SR-01000000091-2; SR-01000000091-5; SR-01000000091-6; SR-01000000091-8; BRD-K50388907-001-05-6; BRD-K50388907-001-18-9; BRD-K50388907-001-20-5; SR-01000000091-16; Z2768724415; Fenofibrate, European Pharmacopoeia (EP) Reference Standard; Isopropyl 2-(4-(4-chlorobenzoyl)-phenoxy)-2-methylpropanoate; 1-methylethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate; 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoicacidisopropylester; Fenofibrate, United States Pharmacopeia (USP) Reference Standard; Isopropyl (4''-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate; 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1-methyl-ethyl ester; Fenofibrate, Pharmaceutical Secondary Standard; Certified Reference Material; isopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoate;Fenofibrate; Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-, 1-methylethylester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5001	DB01039	DR00415	DR0688	360.8	C20H21ClO4	52.6	458	5.2	25	0	4	7	"1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3"	CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl	YMTINGFKWWXKFG-UHFFFAOYSA-N
DG00748	Ibudilast	3671	"Ibudilast; 50847-11-5; Ketas; KC-404; Ibudilastum; Ke Tas; Ibudilastum [Latin]; MN-166; Ibudilast [INN:JAN]; Eyevinal; AV-411; UNII-M0TTH61XC5; Ketas (TN); 3-Isobutyryl-2-isopropylpyrazolo[1,5-a]pyridine; 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one; 1-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one; 3-Isobutyryl-2-isopropylpyrazolo(1,5-a)pyridine; Tocris-1694; Lopac-I-0157; 1-Propanone, 2-methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-; 2-Isopropyl-3-isobutyrylpyrazolo(1,5-a)pyridine; AV411; MFCD00864808; M0TTH61XC5; CHEMBL19449; KC-404;AV-411;MN-166; NCGC00015542-05; 2-Methyl-1-[2-(Propan-2-Yl)pyrazolo[1,5-A]pyridin-3-Yl]propan-1-One; 1-Propanone, 2-methyl-1-(2-(1-methylethyl)pyrazolo(1,5-a)pyridin-3-yl)-; DSSTox_CID_28933; DSSTox_RID_83199; 2-isopropyl-3-isobutyrylpyrazolo[1,5-a]pyridine; DSSTox_GSID_49007; Ibudilast (JAN/INN); CAS-50847-11-5; SR-01000075927; AV 411; BRN 0656579; Pinatos; I0157_SIGMA; Ibudilast,(S); Pyrazolo(1,5-a)pyridine, 3-isobutyryl-2-isopropyl-; 1-(2-Isopropylpyrazolo(1,5-a)pyridin-3-yl)-2-methyl-1-propanone; Ibudilast (JP17/INN); I 0157; Lopac0_000599; SCHEMBL30390; 5-24-03-00396 (Beilstein Handbook Reference); MLS000862198; GTPL7399; ZINC4234; DTXSID7049007; CHEBI:31684; BCPP000209; HMS2089B21; HMS2233H08; HMS3261H20; HMS3268O11; HMS3374P02; HMS3412B20; HMS3676B20; HMS3715L09; HMS3886M03; BCP02335; HY-B0763; Tox21_113503; Tox21_500599; BDBM50240404; s4837; Ibudilast, >=99% (HPLC), solid; 2-Methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl] 1-propanone; AKOS015895123; Tox21_113503_1; AC-1044; BCP9000768; CCG-204688; DB05266; LP00599; SB19092; SDCCGSBI-0050581.P002; NCGC00015542-01; NCGC00015542-02; NCGC00015542-03; NCGC00015542-04; NCGC00015542-06; NCGC00015542-07; NCGC00015542-17; NCGC00025261-01; NCGC00025261-02; NCGC00025261-03; NCGC00025261-04; NCGC00261284-01; SMR000326961; SY051343; EU-0100599; FT-0654591; FT-0670255; I0740; D01385; F20666; AB00698306-06; 3-Isobutyryl-2-isopropyl-Pyrazolo(1,5-a)pyridine; 847I115; A828320; H-20256; L003042; Q261167; J-512714; SR-01000075927-1; SR-01000075927-3; SR-01000075927-6; BRD-K16444452-001-03-4; 1-(2-isopropylH-pyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one; 1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3-yl)-2-methyl-propan-1-one; 1-(2-Isopropyl-pyrazolo[1,5-alpha]pyridin-3-yl)-2-methyl-propan-1-one; 1-(2-isopropylpyrazolo[1,5-alpha]pyridin-3-yl)-2-methylpropan-1-one; 2-methyl-1-(2-propan-2-yl-3-pyrazolo[1,5-a]pyridinyl)-1-propanone; 2-methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-1-propanone; (Ibudilast)1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3-yl)-2-methyl-propan-1-one; 1-(2-Isopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one (Ibudilast); AVL"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31684	DB05266	.	.	230.31	C14H18N2O	34.4	288	3	17	0	2	3	"1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3"	CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)C	ZJVFLBOZORBYFE-UHFFFAOYSA-N
DG00751	Idebenone	3686	"Idebenone; 58186-27-9; Idebenona; Idebenonum; CV 2619; 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione; CV-2619; Sovrima; UNII-HB6PN45W4J; BRN 2001459; CHEBI:31687; 2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methyl-1,4-benzoquinone; 6-(10-Hydroxydecyl)-2,3-dimethoxy-5-methyl-1,4-benzoquinone; HB6PN45W4J; Raxone; 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-2,5-cyclohexadiene-1,4-dione; 5,6-DIMETHOXY-2-(10-HYDROXYDECYL)-3-METHYL-1,4-BENZOQUINONE; 2,5-Cyclohexadiene-1,4-dione, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-; MFCD00274552; NSC-759228; NCGC00160514-01; 2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methyl-p-benzoquinone; 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylbenzo-1,4-quinone; 2,5-Cyclohexadiene-1,4-dione, 5,6-dimethoxy-2-(10-hydroxydecyl)-3-methyl-; DSSTox_CID_20678; DSSTox_RID_79536; DSSTox_GSID_40678; Idebenonum [Latin]; Idebenona [Spanish]; hydroxydecyl ubiquinone; Idebenone [INN:JAN]; 2,3-dimethoxy-5-methyl-6-(10'-hydroxydecyl)-1,4-benzoquinone; 2,3-Dimethoxy-6-(10-hydroxydecyl)-5-methyl-1,4-benzoquinone; SMR000466364; CAS-58186-27-9; SR-01000759378; Cerestabon; Catena; Mnesis; Avan; Oristar hdu; Idebenone- Bio-X; Raxone (TN); SNT-MC17; SCHEMBL28320; Idebenone (JAN/USAN/INN); MLS000759487; MLS001032035; MLS001424002; MLS006011882; Idebenone, analytical standard; CHEMBL252556; QSA-10; DTXSID0040678; Idebenone, >=98% (HPLC); FR114; HMS2051O06; HMS2089D08; HMS3393O06; HMS3656K22; HMS3713A10; HMS3884B12; Pharmakon1600-01505755; ALBB-027258; BCP09116; HY-N0303; STR09227; ZINC1542890; Tox21_111864; BBL025842; BDBM50505498; NSC759228; s2605; STK801942; AKOS005622577; Tox21_111864_1; AC-4337; CCG-100846; KS-5193; MCULE-6391829243; NC00096; NSC 759228; SB19130; NCGC00160514-02; NCGC00160514-03; BI164565; SY051193; SBI-0207024.P001; DB-053168; FT-0617205; I0848; SW219495-1; D01750; H10427; J10031; AB00639997-04; AB00639997-06; AB00639997_07; AB00639997_08; 186I279; A-68500; Q4197874; SR-01000759378-4; SR-01000759378-5; SR-01000759378-6; BRD-K37516142-001-01-4; 2,3-Dimethoxy-6-(10-hydroxydecyl)-5-methylbenzoquinone; 2,3-Dimethoxy-6-(10-hydroxydecyl)-5-methyl-1,4benzoquinone; 2-(10-hydroxydecyl)-6-methoxy-3-methyl-5-(trideuteriomethoxy)cyclohexa-2,5-diene-1,4-dione"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31687	DB09081	.	DR0853	338.4	C19H30O5	72.8	502	4.3	24	1	5	12	"1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3"	CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCO	JGPMMRGNQUBGND-UHFFFAOYSA-N
DG00752	Ifosfamide	3690	"Ifosfamide; Isophosphamide; 3778-73-2; Iphosphamide; Isofosfamide; Ifosfamid; Mitoxana; Ifex; Iphosphamid; Isoendoxan; Naxamide; I-Phosphamide; Holoxan; Cyfos; Ifsofamide; Holoxan 1000; ASTA Z 4942; Ifosfamida; Ifosfamidum; MJF 9325; isosfamide; NCI-C01638; MJF-9325; NSC-109724; ifomide; Z4942; NSC 109724; A 4942; Z 4942; Z-4942; 2H-1,3,2-Oxazaphosphorin-2-amine, N,3-bis(2-chloroethyl)tetrahydro-, 2-oxide; C7H15Cl2N2O2P; NSC109724; 3-(2-Chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide; N,3-Bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide; N-(2-Chloroethyl)-N'-(2-chloroethyl)-N',O-propylenephosphoric acid diamide; 3-(2-chloroethyl)-2-((2-chloroethyl)amino)-1,3,2-oxazaphosphinane 2-oxide; CHEBI:5864; Ifosphamide; 1,3,2-Oxazaphosphorine, 3-(2-chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-, 2-oxide; 3-(2-Chloroethyl)-2-(2-chloroethylamino)tetrahydro-2H-1,3,2-oxaazaphosphorin 2-oxide; 3-(2-Chloroethyl)-2-[(2-chloroethyl)amino]perhydro-2H-1,3,2-oxazaphosphorineoxide; N-(2-Chloroethyl)-N'-(2-chloroethyl)-N',O-propylene phosphoric acid ester diamide; NCGC00016639-01; CAS-3778-73-2; DSSTox_CID_760; Ifosfamide Sterile; DSSTox_RID_75775; DSSTox_GSID_20760; Ifosfamidum [INN-Latin]; Ifosfamida [INN-Spanish]; (R)-3-(2-chloroethyl)-2-((2-chloroethyl)amino)-1,3,2-oxazaphosphinane 2-oxide; CCRIS 352; HSDB 7023; SR-05000002022; EINECS 223-237-3; IFEX (TN); BRN 0611835; Ifosfamide (JAN/USP/INN); N,3-bis(2-chloroethyl)-2-oxo-1,3,2 ^{5}-oxazaphosphinan-2-amine; Ifosfamid A; (R)-Ifosfamide; (S)-Ifosfamide; 3-(2-Chloroethyl)-2-((2-chloroethyl)amino)perhydro-2H-1,3,2-oxazaphosphorineoxide; 2,3-(N,N(sup 1)-Bis(2-chloroethyl)diamido)-1,3,2-oxazaphosphoridinoxyd; Isophosphamide,(S); N,3-Bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-oxide; N,N-Bis(beta-chloroethyl)-amino-N',O-propylene-phosphoric acid ester diamide; N-(2-Chloroethyl)-N'-(2-chloroethyl)-N',O-propylenephosphoric acid ester diamide; MFCD00057374; 3-(2-Chloroethyl)-2-((2-chloroethyl)amino)perhydro-2H-1,3,2-oxazaphosphorine oxide; N-(2-Chloraethyl)-N'-(2-chloraethyl)-N',O-propylen-phosphorsaureester-diamid [German]; Ifosfamide - Bio-X; Ifosfamide [USAN:USP:INN:BAN:JAN]; starbld0001221; Ifosfamide, >=98%; Prestwick0_000833; Prestwick1_000833; Prestwick2_000833; Prestwick3_000833; Intermediate of Ifosfamide; N-(2-Chloraethyl)-N'-(2-chloraethyl)-N',O-propylen-phosphorsaureester-diamid; SCHEMBL4885; 2H-1,3,2-Oxazaphosphorine, 3-(2-chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-, 2-oxide; CHEMBL1024; BSPBio_000785; MLS002154021; Ifex (TN) (Bristol Meyers); SPBio_002706; BPBio1_000865; GTPL7201; DTXSID7020760; (S)-3-(2-chloroethyl)-2-((2-chloroethyl)amino)-1,3,2-oxazaphosphinane 2-oxide; BDBM189358; HMS1570H07; HMS2090M12; HMS2093N07; HMS2097H07; HMS2232O10; HMS3374B08; HMS3654B15; HMS3714H07; Pharmakon1600-01505480; {3-(2-Chloroethyl)-2-[(2-; BCP06596; WLN: T6NPOTJ AM2G BO B2G; Tox21_110539; Tox21_201815; Tox21_302775; BBL028071; N,3-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine; N,3-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine; NSC759154; s1302; STL058690; AKOS005711213; Tox21_110539_1; AB02316; AC-2113; CCG-213464; CS-1424; DB01181; MCULE-1480299331; NSC-759154; N-(2-Chloroethyl)-N-(3-(2-chloroethyl)-2-oxido-1,3,2-oxazaphosphinan-2-yl)amine; Ifosfamide, analytical reference material; NCGC00179435-01; NCGC00179435-02; NCGC00179435-03; NCGC00179435-06; NCGC00179435-07; NCGC00256413-01; NCGC00259364-01; 2H-1,3,2-Oxazaphosphorine, 3-(2-chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-, 2-oxide (8CI); AS-10978; BI166243; HY-17419; NCI60_000233; SMR001233348; SBI-0206804.P001; DB-049196; AB00513932; FT-0603650; FT-0670282; SW197177-4; C07047; D00343; J10093; AB00513932-06; AB00513932-07; AB00513932-08; AB00513932_09; AB00513932_10; 778I732; A823873; Q418560; Q-101874; SR-05000002022-1; SR-05000002022-3; SR-05000002022-5; BRD-A67097164-001-11-2; Ifosfamide, British Pharmacopoeia (BP) Reference Standard; Ifosfamide, European Pharmacopoeia (EP) Reference Standard; UNII-UM20QQM95Y component HOMGKSMUEGBAAB-AWEZNQCLSA-N; Ifosfamide, United States Pharmacopeia (USP) Reference Standard; 2,N(sup 1)-Bis(2-chloroethyl)diamido-1,3,2-oxazaphosphoridinoxy-; 2,N(sup 1)-Bis(2-chloroethyl)diamido-1,3,2-oxazaphosphoridinoxyd; N,3-bis(2-chloroethyl)-2-oxo-1,3,2$l;{5}-oxazaphosphinan-2-amine; {3-(2-Chloroethyl)-2-[(2-chloroethyl)amino]perhydro-2H-1,3,} 2-oxazaphosphorine oxide; 1,2-Oxazaphosphorine, 3-(2-chloroethyl)-2-[(2-chloroethyl)amino]tetrahydro-, 2-oxide; 2H-1,2-Oxazaphosphorin-2-amine, N,3-bis(2-chloroethyl)tetrahydro-, 2-oxide; 2H-1,2-Oxazaphosphorine, 3-(2-chloroethyl)-2-[(2-chloroethyl)amino]tetrahydro-, 2-oxide; 3-(2-Chloroethyl)-2-(2-chloroethylamino)tetrahydro-2H-1,3,2-oxazaphosphorin-2-one; 3-(2-chloroethyl)-2-[(2-chloroethyl)amino]-1,3,2$l^{5}-oxazaphosphinan-2-one; 3-(2-chloroethyl)-2-[(2-chloroethyl)amino]-1,3,2lambda5-oxazaphosphinan-2-one; 3-(2-Chloroethyl)-2-[(2-chloroethyl)amino]perhydro-2H-1,2-oxazaphosphorine oxide; 3-(2-Chloroethyl)-2-[(2-chloroethyl)amino]perhydro-2H-1,2-oxazaphosphorineoxide; 3-(2-Chloroethyl)-2-[(2-chloroethyl)amino]tetrahydro-2H-1,2-oxazaphosphorine 2-oxide; N,3-Bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphinan-2-amine 2-oxide #"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5864	DB01181	.	DR0855	261.079	C7H15Cl2N2O2P	41.6	218	0.9	14	1	4	5	"1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)"	C1CN(P(=O)(OC1)NCCCl)CCCl	HOMGKSMUEGBAAB-UHFFFAOYSA-N
DG00761	Ketoprofen	3825	"Ketoprofen; 22071-15-4; 2-(3-Benzoylphenyl)propanoic acid; 2-(3-Benzoylphenyl)propionic acid; Orudis; m-Benzoylhydratropic acid; Capisten; Ketoprofene; Profenid; Oruvail; Actron; 3-Benzoylhydratropic acid; Alrheumun; Aneol; Epatec; Orudis (TN); Iso-K; Ketoprofeno; RP-19583; Ketoprophene; 2-[3-(phenylcarbonyl)phenyl]propanoic acid; 2-(m-Benzoylphenyl)propionic acid; Racemic ketoprofen; 3-BENZOYL-ALPHA-METHYLBENZENEACETIC ACID; RU 4733; Ketoprofen (Actron); CHEBI:6128; Benzeneacetic acid, 3-benzoyl-.alpha.-methyl-; Alrheumat; CHEMBL571; Propionic acid, 2-(3-benzoylphenyl)-; (S)-Ketoprofen;Dexketoprofen; 19583 RP; L'Acide (benzoyl-3-phenyl)-2-propionique; MLS000079024; Orudis KT; MFCD00055790; NSC-758144; Kefenid; Ketopron; Menamin; Meprofen; Orugesic; Oscorel; SMR000040181; Fastum; Lertus; Toprec; Toprek; Dexal; DSSTox_CID_771; R.P. 19,583; racemic-Ketoprofen; DSSTox_RID_75783; DSSTox_GSID_20771; 1189508-77-7; Ketoprofenum; RP 19583; Ketoprofene [INN-French]; Ketoprofenum [INN-Latin]; Ketoprofeno [INN-Spanish]; Ketoprofen (+-); (+-)-m-Benzoylhydratropic acid; Benzeneacetic acid, 3-benzoyl-alpha-methyl-; SR-01000075949; Ketorin; rac Ketoprofen; CCRIS 4508; Actron ketoprofen; (rs)-ketoprofen; (+-)-3-Benzoyl-alpha-methylbenzeneacetic acid; (+) ketoprofen; NCGC00016757-01; Ketoprofen ,(S); Acide (benzoyl-3-phenyl)-2-propionique [French]; Prestwick_617; EINECS 244-759-8; 2-[3-(benzoyl)phenyl]propanoic acid; CAS-22071-15-4; Ketoprofen-13C-D3; 2-(3-benzoylphenyl)-propionic acid; Hydratropic acid, m-benzoyl-, (+-)-; Acide (benzoyl-3-phenyl)-2-propionique; Spectrum_001309; Opera_ID_509; Prestwick0_000219; Prestwick1_000219; Prestwick2_000219; Prestwick3_000219; Spectrum2_000956; Spectrum3_001479; Spectrum4_000028; Spectrum5_001254; m-benzoyl-hydratropic acid; Epitope ID:131783; K 1751; SCHEMBL2896; Lopac0_000686; Oprea1_117113; BSPBio_000237; BSPBio_003037; Hydratropic acid, m-benzoyl-; KBioGR_000435; KBioSS_001789; MLS000028446; MLS001201752; MLS001306444; MLS002548889; MLS006011967; BIDD:GT0443; DivK1c_000598; SPECTRUM1501215; SPBio_000952; SPBio_002158; Benzeneacetic acid, 3-benzoyl-alpha-methyl-, (+-)-; BPBio1_000261; GTPL4795; IDEA-033; Ketoprofen (JP17/USP/INN); Ketoprofen, >=98% (TLC); DTXSID6020771; DKYWVDODHFEZIM-UHFFFAOYSA-; HMS501N20; KBio1_000598; KBio2_001789; KBio2_004357; KBio2_006925; KBio3_002537; (+/-)-m-Benzoylhydratropic acid; NINDS_000598; HMS1568L19; HMS1921B12; HMS2089B16; HMS2092L19; HMS2095L19; HMS2234H16; HMS3259I05; HMS3262I13; HMS3372M08; HMS3373G09; HMS3649N10; HMS3655C15; HMS3712L19; HMS3884K04; Pharmakon1600-01501215; BCP23428; HY-B0227; 2-(3'-benzoylphenyl)propionic acid; 2-(3-benzoylphenyl) propionic acid; alpha(3-benzoylphenyl)propionic acid; Tox21_110594; Tox21_200847; Tox21_500686; (.+/-.)-m-Benzoylhydratropic acid; 2-(3-benzoylphenyl) propionoic acid; alpha-(m-benzoylphenyl)propionic acid; BDBM50022271; CCG-39685; NSC758144; s1645; STL450995; (R)-(-)-Ketoprofen-[13C,d3]; 2-(3-Benzoylphenyl)propanoic acid #; alpha-(3-benzoylphenyl)propionic acid; AKOS007930512; alpha-(m-benzoylphenyl) propionic acid; Tox21_110594_1; 19583RP; AC-1486; BCP9000810; DB01009; Ketoprofen [USAN:USP:INN:BAN:JAN]; KS-5031; LP00686; MCULE-9740144074; NC00459; NSC 758144; RU-4733; SDCCGSBI-0050664.P004; IDI1_000598; (rs)-2-(3-benzoylphenyl)propanoic acid; NCGC00015578-02; NCGC00015578-03; NCGC00015578-04; NCGC00015578-05; NCGC00015578-07; NCGC00015578-08; NCGC00015578-10; NCGC00015578-12; NCGC00015578-23; NCGC00094043-01; NCGC00094043-02; NCGC00094043-03; NCGC00094043-04; NCGC00258401-01; NCGC00261371-01; BK166172; Ketoprofen 100 microg/mL in Acetonitrile; ((c)I)-Ketoprofen-d4(propionic-d4 acid); 3-Benzoyl-.alpha.-methylbenzeneacetic acid; BCP0726000302; SBI-0050664.P003; (+/-)-2-(3-Benzoylphenyl)propionic acid; L''Acide (benzoyl-3-phenyl)-2-propionique; UNM-0000306100; AB00052249; AM20060549; EU-0100686; FT-0602834; FT-0670646; FT-0670647; K0038; Ketoprofen, meets USP testing specifications; Orudis, Profenid, Dexal, Keduril, Ketofen,; R.P. 19583; SW196784-3; BIM-0050664.0001; C01716; D00132; D78110; Ketoprofen, VETRANAL(TM), analytical standard; AB00052249-17; AB00052249-19; AB00052249-20; AB00052249_21; AB00052249_22; 071K154; A815896; Q409192; Q-201268; SR-01000075949-1; SR-01000075949-6; SR-01000075949-9; (.+/-.)-3-Benzoyl-.alpha.-methylbenzeneacetic acid; Benzeneacetic acid, 3-benzoyl-alpha-methyl-, (+/-); BRD-A97739905-001-05-9; BRD-A97739905-001-15-8; SR-01000075949-18; F2173-0960; Z1695709452; Ketoprofen, British Pharmacopoeia (BP) Reference Standard; Ketoprofen, European Pharmacopoeia (EP) Reference Standard; Ketoprofen, United States Pharmacopeia (USP) Reference Standard; N-FMOC-3-AMINO-4-(4-TERT-BUTOXY-PHENYL)-BUTYRICACID; Ketoprofen, Pharmaceutical Secondary Standard; Certified Reference Material; 154907-35-4"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6128	DB01009	DR00690	DR0907	254.28	C16H14O3	54.4	331	3.1	19	1	3	4	"1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)"	CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O	DKYWVDODHFEZIM-UHFFFAOYSA-N
DG00762	Ketorolac	3826	"Ketorolac; 74103-06-3; 5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; Ketorolaco; Ketorolacum [Latin]; Ketorolaco [Spanish]; Ketoralac; Ketorolacum; Macril; (+-)-Ketorolac; 66635-83-4; Acular; rac-ketorolac; RS 37619; (+)-Ketorolac; Toradol (TN); (+-)-5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; CHEBI:76223; Acuvail; MFCD00864281; RS37619; 1H-Pyrrolizine-1-carboxylic acid, 2,3-dihydro-5-benzoyl-, (+-)-; 5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; Ketorolac [INN:BAN]; SPRIX; RS-37619; Ketorolac (INN); rac Ketorolac-[d4]; 1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro-; NCGC00185990-01; CHEMBL469; SCHEMBL14891; MLS006011844; CHEBI:6129; GTPL6661; DTXSID8023189; BDBM85511; HMS3604J05; HMS3884M04; HY-B0580; AC-545; HTS001246; s1646; STL018674; AKOS005657203; AC-1121; CCG-204762; DB00465; KS-5175; SDCCGSBI-0050655.P004; NCGC00185990-02; NCGC00185990-05; NCGC00185990-15; K262; SMR001550090; SY107530; SBI-0050655.P003; CAS_74103-07-4; DB-011403; AB00053682; FT-0653523; FT-0670664; FT-0670665; FT-0670666; C07062; D08104; F16555; J10261; AB00053682-12; AB00053682-14; AB00053682_15; AB00053682_16; 635K834; A934549; Q2014797; BRD-A40639672-234-05-7; BRD-A40639672-234-09-9; KETOROLAC, ketorolactromethamine, Ketorolac Tromethamine; 5-(benzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; 5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid #; rac-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; (1RS)-5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; (.+/-.)-2,3-Dihydro-5-benzoyl-1H-pyrrolizine-1-carboxylic acid; (.+/-.)-5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; 5-benzoyl-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid; 1H-Pyrrolizine-1-carboxylic acid, 2,3-dihydro-5-benzoyl-, (.+/-.)-; 5-BENZOYL-2,3-DIHYDRO-1H-PYRROLO[1,2-A]PYRROLE-1-CARBOXYLIC ACID"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:76223	DB00465	.	DR0908	255.27	C15H13NO3	59.3	376	1.9	19	1	3	3	"1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)"	C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O	OZWKMVRBQXNZKK-UHFFFAOYSA-N
DG00767	Maprotiline	4011	"Maprotiline; 10262-69-8; Maprotylina [Polish]; Maprotylina; Maprotilinum [INN-Latin]; Maprotilina [INN-Spanish]; 276-Ba; UNII-2U1W68TROF; N-Methyl-9,10-ethanoanthracene-9(10H)-propylamine; 9,10-Ethanoanthracene-9(10H)-propanamine, N-methyl-; CHEBI:6690; 3-(9,10-Dihydro-9,10-ethanoanthracen-9-yl)propylmethylamine; 3-(9,10-Dihydro-9,10-ethanoanthracen-9-yl)-N-methylpropan-1-amine; 2U1W68TROF; BA-34276; 9,10-Ethanoanthracene-9(10H)-propylamine, N-methyl-; N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine; NCGC00015708-04; Maprotilina; Maprotilinum; BA-34,276 [AS HYDROCHLORIDE]; 3-(9,10-ethanoanthracen-9(10H)-yl)-N-methylpropan-1-amine; DSSTox_CID_25029; DSSTox_RID_80649; DSSTox_GSID_45029; N-Methyl-9,10-ethanoanthracene-9(10H)-propanamine;N-Methyl-9,10-ethanoanthracene-9(10H)-propanamine; CAS-10262-69-8; Maprotiline (USAN); EINECS 233-599-4; CAS-10347-81-6; BRN 2385493; Maprotiline [USAN:INN:BAN]; N-Methyl-9,10-ethanoanthracene-9(10H)-propanamine; Spectrum_000887; Tocris-0935; Prestwick0_000346; Prestwick1_000346; Prestwick2_000346; Prestwick3_000346; Spectrum2_000139; Spectrum3_000483; Spectrum4_000035; Spectrum5_000918; Lopac-M-9651; C07107; Lopac0_000812; SCHEMBL33993; BSPBio_000411; BSPBio_001945; KBioGR_000469; KBioSS_001367; MLS001201766; CHEMBL21731; DivK1c_000891; SCHEMBL121015; SPBio_000218; SPBio_002332; BPBio1_000453; GTPL2402; CHEMBL1201257; DTXSID7045029; SCHEMBL21994200; BA-34276 FREE BASE; KBio1_000891; KBio2_001367; KBio2_003935; KBio2_006503; KBio3_001445; BA-34276 [As Hydrochloride]; NINDS_000891; BA-34,276 FREE BASE; HMS2089K11; HMS2962E12; ZINC1530688; Tox21_110200; 0643AA; AR-111; BBL010079; BDBM50101973; BDBM50378025; STK711156; AKOS005530670; Tox21_110200_1; CCG-204896; DB00934; SDCCGSBI-0050789.P005; IDI1_000891; SMP1_000169; NCGC00015708-01; NCGC00015708-02; NCGC00015708-03; NCGC00015708-05; NCGC00015708-06; NCGC00015708-07; NCGC00015708-08; NCGC00015708-09; NCGC00015708-10; NCGC00015708-11; NCGC00015708-12; NCGC00015708-13; NCGC00015708-15; NCGC00015708-17; NCGC00015708-19; NCGC00015708-25; NCGC00016691-01; NCGC00018217-01; NCGC00024886-01; NCGC00024886-02; NCGC00024886-03; AC-12507; SMR000641863; SBI-0050789.P003; AB00514665; D02566; AB00053679-33; AB00053679_34; AB00053679_35; AB01275432-01; 262M698; L001173; Q418361; J-000745; BRD-K03319035-001-01-3; BRD-K03319035-003-02-7; BRD-K25433859-003-11-4; BRD-K25433859-003-14-8; methyl(3-{tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2(7),3,5,9(14),10,12-hexaen-1-yl}propyl)amine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6690	DB00934	DR00515	.	277.4	C20H23N	12	339	4.6	21	1	1	4	"1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3"	CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24	QSLMDECMDJKHMQ-UHFFFAOYSA-N
DG00770	Meclizine	4034	"Meclizine; Meclozine; 569-65-3; Parachloramine; Chiclida; Bonine; Sea-Legs; Histamethine; Histamethizine; Histametizine; Histametizyne; Bonadettes; Calmonal; Itinerol; Monamine; Navicalm; Peremesin; Postafene; Suprimal; Travelon; Vomisseis; Ancolan; Ravelon; Sabari; Siguran; Marex; Neo-istafene; Neo-suprimal; Neo-suprimel; Antivert; Vomissels; Ancolon; 1-((4-Chlorophenyl)(phenyl)methyl)-4-(3-methylbenzyl)piperazine; Meclizine hydrochloride; UCB 5062; Bonamine; Diadril; UCB 170; U.C.B. 5062; 1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine; 1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine; Postafen; 1-(p-Chlorobenzhydryl)-4-(m-methylbenzyl)diethylenediamine; NSC 169189; UCB 5052; Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-[(3-methylphenyl)methyl]-; U. C. B. 5062; CHEBI:6709; (+-)-Meclizine; Piperazine, 1-(p-chloro-alpha-phenylbenzyl)-4-(m-methylbenzyl)-; Dramamine II; Piperazine, 1-((4-chlorophenyl)phenylmethyl)-4-((3-methylphenyl)methyl)-; 1-(p-Chlorobenzhydryl)-4-(m-methylbenzyl)piperazine; NSC-169189; Meclozina; Meclozinum; Subari; 1-(p-Chloro-.alpha.-phenylbenzyl)-4-(m-methylbenzyl)piperazine; Piperazine,1-[(4-chlorophenyl)phenylmethyl]-4-[(3-methylphenyl)methyl]-; Meclizine [INN:BAN]; Meclozinum [INN-Latin]; Meclozina [INN-Spanish]; 1-[(4-Chlorophenyl)(phenyl)methyl]-4-(3-methylbenzyl)piperazine; Piperazine, 1-(p-chloro-.alpha.-phenylbenzyl)-4-(m-methylbenzyl)-; Nevidoxine (TN); Meclozine (BAN); Meclozine [INN]; HSDB 3113; EINECS 209-323-3; 1-p-Chlorobenzhydryl-4-m-methylbenzylpiperazine; BRN 0332002; Meclozin; 1-(p-Chloro-alpha-phenylbenzyl)-4-(m-methylbenzyl)piperazine; 1-((4-Chlorophenyl)phenylmethyl)-4-((3-methylphenyl)methyl)piperazine; Diadril (Salt/Mix); Bonamine (Salt/Mix); Bonadoxin (Salt/Mix); Vertizine (Salt/Mix); Spectrum_000891; (.+/-.)-Meclizine; Prestwick0_000457; Prestwick1_000457; Prestwick2_000457; Prestwick3_000457; Spectrum2_000110; Spectrum3_000485; Spectrum4_000037; Spectrum5_000919; SCHEMBL4649; CHEMBL1623; BSPBio_000534; BSPBio_001949; KBioGR_000473; KBioSS_001371; 4-Methyl-2-chloroacetophenone; DivK1c_000407; SPBio_000100; SPBio_002473; BPBio1_000588; GTPL2757; DTXSID0023242; BDBM81467; KBio1_000407; KBio2_001371; KBio2_003939; KBio2_006507; KBio3_001449; NINDS_000407; Meclizine;Meclozine; Parachloramine; BCP28339; NSC_4034; MFCD00242697; NSC169189; AKOS015951354; DB00737; MCULE-7463916552; IDI1_000407; NCGC00018296-02; NCGC00018296-04; NCGC00018296-08; BS-17628; CAS_569-65-3; SBI-0051433.P003; WLN: T6N DNTJ AYR&R DG& D1R C1; AB00053493; FT-0659103; EN300-58334; C07116; D08163; D81963; AB00053493_14; AB00053493_15; L001136; Q386441; BRD-A50311610-300-05-4; BRD-A50311610-300-06-2; Z53003552; 1-[(4-Chlorophenyl)(phenyl)methyl]-4-(3-methylbenzyl)piperazine #"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00737	DR00977	DR1006	390.9	C25H27ClN2	6.5	448	5.8	28	0	2	5	"1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3"	CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl	OCJYIGYOJCODJL-UHFFFAOYSA-N
DG00777	Moclobemide	4235	"Moclobemide; 71320-77-9; Aurorix; Moclobemid; Manerix; Moclamine; 4-chloro-N-(2-morpholinoethyl)benzamide; Moclaime; Moclobemidum; Moclamide; Moclobemida; Moclobemidum [INN-Latin]; Moclobemida [INN-Spanish]; p-Chloro-N-(2-morpholinoethyl)benzamide; 4-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide; 4-Chlor-N-(2-morpholinoethyl)benzamid; 4-chloro-N-(2-morpholin-4-ylethyl)benzamide; 4-Chloro-N-(2-(4-morpholinyl)ethyl)benzamide; Ro 11-1163; 4-Chloro-N-(2-morpholin-4-yl-ethyl)-benzamide; Moclobemide (Ro 111163); GNF-PF-695; 4-chloro-N-[2-(4-morpholinyl)ethyl]benzamide; UNII-PJ0Y7AZB63; Ro 11-1163/000; Ro111163; BENZAMIDE, 4-CHLORO-N-(2-(4-MORPHOLINYL)ETHYL)-; Benzamide, 4-chloro-N-[2-(4-morpholinyl)ethyl]-; PJ0Y7AZB63; CHEMBL86304; MLS000070549; CHEBI:83531; MFCD00865388; NCGC00027930-02; NCGC00027930-04; SMR000012114; DSSTox_CID_20554; DSSTox_RID_79506; DSSTox_GSID_40554; Moclobemide [USAN:BAN:INN]; Moclobemide [USAN:INN:BAN]; Auromid; Aurorix (TN); CAS-71320-77-9; Ro-11-1163; HSDB 7180; SR-01000357772; CBMicro_048319; Moclobemide (USAN/INN); BRN 0530974; Moclobemide- Bio-X; Moclamine (Salt/Mix); Opera_ID_225; Oprea1_256739; Oprea1_270122; SCHEMBL49708; MLS000759438; MLS001240195; MLS001424077; GTPL7428; BENZAMIDE,4-CHLORO-N-[2-(4-MORPHOLINYL)ETHYL]-; DTXSID9040554; BDBM15613; AOB5012; HMS2051A16; HMS2096G07; HMS2232B20; HMS3262F09; HMS3371A01; HMS3393A16; HMS3657K05; HMS3713G07; HMS3885A15; AMY32534; BCP15783; HY-B0534; Moclobemide 1.0 mg/ml in Methanol; Tox21_110971; Tox21_113614; Tox21_500824; s3212; STK222240; ZINC19606670; AKOS003270184; Moclobemide, >=98% (HPLC), solid; Tox21_110971_1; CCG-100879; DB01171; LP00824; MCULE-5300106938; NC00129; SDCCGSBI-0048213.P003; NCGC00027930-03; NCGC00027930-05; NCGC00027930-07; NCGC00027930-16; NCGC00261509-01; AC-12467; BM164599; H223; p-chloro-N-(2-morpholinoethyl)-benzamide; BIM-0048213.P001; Ro-111163000; FT-0618228; M2733; SW197509-3; Ro-11-1163/000; D02561; AB00400932_12; 320M779; A837152; Q421934; 4-chloro-N-(2-morpholinoethyl)benzamide;Moclobemide; SR-01000357772-1; SR-01000357772-4; Z32409934; Ro11-1163; Ro 11-1163; Ro111163; Ro-111163; Ro 111163; 108375-13-9; MCL"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:83531	DB01171	DR00838	DR1103	268.74	C13H17ClN2O2	41.6	262	1.5	18	1	3	4	"1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)"	C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl	YHXISWVBGDMDLQ-UHFFFAOYSA-N
DG00788	Oxamniquine	4612	"Oxamniquine; 21738-42-1; Mansil; Vansil; Oxaminiquine; Oxamniquinum; UK 4271; UK-4271; UK 4261; NSC 352888; UNII-00BCY677OT; UNII-7GIJ138H3K; [7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl]methanol; MLS000756891; 00BCY677OT; 7GIJ138H3K; CHEBI:78416; 1,2,3,4-Tetrahydro-2-(((1-methylethyl)amino)methyl)-7-nitro-6-quinolinemethanol; 1,2,3,4-Tetrahydro-2-((isopropylamino)methyl)-7-nitro-6-quinolinemethanol; 2-((Isopropylamino)methyl)-7-nitro-1,2,3,4-tetrahydro-6-quinolinemethanol; 6-Hydroxymethyl-2-isopropylaminomethyl-7-nitro-1,2,3,4-tetrahydroquinoline; NSC352888; NSC-352888; {2-[(Isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol; 6-Quinolinemethanol, 1,2,3,4-tetrahydro-2-((isopropylamino)methyl)-7-nitro-; 6-Quinolinemethanol, 1,2,3,4-tetrahydro-2-(((1-methylethyl)amino)methyl)-7-nitro-; Oxamniquina; Oxamniquinum [INN-Latin]; Oxamniquina [INN-Spanish]; Mansil (TN); Vansil (TN); Oxamniquine (USAN/INN); CCRIS 4113; HSDB 6510; (2-((Isopropylamino)methyl)-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl)methanol; [2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl]methanol; 6-Quinolinemethanol, 1,2,3,4-tetrahydro-2-[[(1-methylethyl)amino]methyl]-7-nitro-; (+)-Oxamniquine; NCGC00016755-01; EINECS 244-556-4; (+-)-Oxamniquine; CAS-21738-42-1; Oxamniquine, (+)-; Oxamniquine, (-)-; BRN 0485597; Prestwick0_001026; Prestwick1_001026; Prestwick2_001026; DSSTox_CID_3398; CHEMBL847; DSSTox_RID_77013; DSSTox_GSID_23398; SCHEMBL44921; SPBio_003072; DTXSID3023398; HMS1571M13; HMS2230H11; HMS3371N13; Oxamniquine [USAN:USP:INN:BAN]; Tox21_110593; 2-(Isopropylaminomethyl)-7-nitro-1,2,3,4-tetrahydroquinoline-6-methanol; DB01096; UK-4261; (2-{[(1-methylethyl)amino]methyl}-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl)methanol; (7-nitro-2-{[(propan-2-yl)amino]methyl}-1,2,3,4-tetrahydroquinolin-6-yl)methanol; HY-10416; SMR000528982; CS-0002596; C07341; D00460; 5-22-11-00475 (Beilstein Handbook Reference); Q682497; SR-01000765728; SR-01000765728-2; 1,3,4-Tetrahydro-2-[(isopropylamino)methyl]-7-nitro-6-quinolinemethanol; 2-(Isopropylaminomethyl)-7-nitro-1,3,4-tetrahydroquinoline-6-methanol; 6-Quinolinemethanol,2,3,4-tetrahydro-2-[(isopropylamino)methyl]-7-nitro-; (2-[(Isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydro-6-quinolinyl)methanol #; {2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydro-6-quinolinyl}methanol; 6-Quinolinemethanol, 1,2,3,4-tetrahydro-2-(((1-methylethyl)amino)methyl)-7-nitro-, (+)-; 6-Quinolinemethanol, 1,2,3,4-tetrahydro-2-(((1-methylethyl)amino)methyl)-7-nitro-, (-)-; 6-Quinolinemethanol,2,3,4-tetrahydro-2-[[(1-methylethyl)amino]methyl]-7-nitro-; 119678-90-9; 40247-39-0"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:78416	DB01096	.	DR1211	279.33	C14H21N3O3	90.1	332	2.2	20	3	5	4	"1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3"	CC(C)NCC1CCC2=CC(=C(C=C2N1)[N+](=O)[O-])CO	XCGYUJZMCCFSRP-UHFFFAOYSA-N
DG00789	Pamidronate	4674	"PAMIDRONIC ACID; pamidronate; 40391-99-9; Aredia; Amidronate; Aminomux; (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid; Acide pamidronique [INN-French]; Acido pamidronico [INN-Spanish]; Acidum pamidronicum [INN-Latin]; PAMIDRONATE DISODIUM; (3-amino-1-hydroxypropane-1,1-diyl)bis(phosphonic acid); Disodium pamidronate; UNII-OYY3447OMC; (3-Amino-1-hydroxypropylidene)diphosphonic acid; CHEMBL834; OYY3447OMC; Phosphonic acid, (3-amino-1-hydroxypropylidene)bis-; (3-AMINO-1-HYDROXY-1-PHOSPHONO-PROPYL)PHOSPHONIC ACID; 3-amino-1-hydroxypropane-1,1-diphosphonic acid; CGP-23339AE; NCGC00159433-02; DSSTox_CID_3414; Acido pamidronico; Acide pamidronique; Acidum pamidronicum; DSSTox_RID_77017; DSSTox_GSID_23414; 1159812-33-5; (3-Amino-1-hydroxypropane-1,1-diyl)diphosphonic acid; Pamidronic acid [INN:BAN]; Ribodroat; 57248-88-1; Bisphosphonate 6; Ribodroat (TN); CAS-40391-99-9; (3-Amino-1-hydroxypropylidene)bisphosphonic acid; C3H11NO7P2; Pamidronic acid (INN); EINECS 254-905-2; starbld0044121; ChemDiv1_025240; 3-Amino-1-hydroxypropylidene-1,1-diphosphonate; SCHEMBL18361; BIDD:GT0538; CHEBI:7903; GTPL7259; JMC515594 Compound 62; DTXSID4023414; BDBM12581; HMS658L06; HMS2090C13; HMS3749A11; BCP17709; CCG-2075; HY-B0012; ZINC3812862; Tox21_111664; 2631AH; HSCI1_000312; MFCD00168777; s2063; STL510914; AKOS003599275; Tox21_111664_1; CS-7787; DB00282; MCULE-4373491291; NCGC00159433-03; NCGC00165862-02; DB-049579; FT-0630610; C07395; C75045; D07281; 391P999; A825084; Propane-1-hydroxy-3-amino-1,1-diphosphonic acid; Q627499; SR-01000514873; 3-amino-1-hydroxypropane-1,1-diyldiphosphonic acid; SR-01000514873-1; (3-Amino-1-hydroxy-1-phosphono-propyl)-phosphonic acid; Phosphonic acid, P,P'-(3-amino-1-hydroxypropylidene)bis-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7903	.	.	.	235.07	C3H11NO7P2	161	243	-6.9	13	6	8	4	"1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)"	C(CN)C(O)(P(=O)(O)O)P(=O)(O)O	WRUUGTRCQOWXEG-UHFFFAOYSA-N
DG00795	Perphenazine	4748	"Perphenazine; 58-39-9; Trilafon; Perphenazin; Etaperazine; Perfenazine; Ethaperazine; Etaperazin; Fentazin; Chlorpiprazine; Perphenan; Thilatazin; Decentan; Chlorperphenazine; Emesinal; Perfenazina; Tranquisan; Trifaron; Trilifan; Triphenot; F-mon; Perphenazinum; 2-(4-(3-(2-Chloro-10H-phenothiazin-10-yl)propyl)piperazin-1-yl)ethanol; Sch 3940; 2-[4-[3-(2-Chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol; C21H26ClN3OS; 4-[3-(2-Chlorophenothiazin-10-yl)propyl]-1-piperazineethanol; UNII-FTA7XXY4EZ; PZC; gamma-(4-(beta-Hydroxyethyl)piperazin-1-yl)propyl-2-chlorophenothiazine; NSC 150866; 4-(3-(2-Chlorophenothiazin-10-yl)propyl)-1-piperazineethanol; 4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol; 1-(2-Hydroxyethyl)-4-(3-(2-chloro-10-phenothiazinyl)propyl)piperazine; 2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethan-1-ol; FTA7XXY4EZ; MFCD00056798; CHEMBL567; 2-Chloro-10-3-(1-(2-hydroxyethyl)-4-piperazinyl)propyl phenothiazine; 2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethanol; 2-Chloro-10-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)phenothiazine; 2-Chloro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazine; MLS000069637; CHEBI:8028; 1',1-(2-Idrossietil)-4,3-(2-cloro-10-fenotiazil)propilpiperazina; 1-Piperazineethanol, 4-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)-; 1-Piperazineethanol, 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-; 2-(4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethanol; NSC150866; NSC-150866; CAS-58-39-9; NCGC00015826-02; Perfenil; SMR000058180; Perfenazina [Italian]; 1-Piperazineethanol, 4-(3-(2-chlorophenothiazin-10-yl)propyl)-; 1-(2-Hydroxyethyl)-4-[3-(2-chloro-10-phenothiazinyl)propyl]piperazine; DSSTox_CID_3441; DSSTox_RID_77031; DSSTox_GSID_23441; Perfenazina [INN-Spanish]; Perphenazinum [INN-Latin]; 1-Piperazineethanol, 4-[3-(2-chlorophenothiazin-10-yl)propyl]-; 2-Chloro-10-3-[1-(2-hydroxyethyl)-4-piperazinyl]propyl phenothiazine; Piperazineethanol, 4-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)-; HSDB 3379; SR-01000000137; EINECS 200-381-5; AI3-50151; Piperazineethanol, 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-; .gamma.-(4-(.beta.-Hydroxyethyl)piperazin-1-yl)propyl-2-chlorophenothiazine; .gamma.-[4-(.beta.-Hydroxyethyl)piperazin-1-yl]propyl-2-chlorophenothiazine; 2-(4-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)piperazin-1-yl)ethan-1-ol; Perphenazine [USP:INN:BAN:JAN]; 2-Chloro-10-(3-(1-(2-hydroxyethyl)-4-piperazinyl)propyl)phenothiazine; SCH-3940; Prestwick_536; 1',1-(2-Idrossietil)-4,3-(2-cloro-10-fenotiazil)propilpiperazina [Italian]; Etrafon (Salt/Mix); Spectrum_001610; 130-69-8; Opera_ID_1161; Prestwick0_000125; Prestwick1_000125; Prestwick2_000125; Prestwick3_000125; Spectrum2_001602; Spectrum3_000758; Spectrum4_000843; Spectrum5_001493; Lopac-P-6402; P 6402; Lopac0_000930; Oprea1_603835; REGID_for_CID_4748; SCHEMBL42125; BSPBio_000170; BSPBio_002376; GTPL209; KBioGR_001445; KBioSS_002090; MLS001146929; MLS002548897; 5,7-EICOSADIYNOICACID; BIDD:GT0150; DivK1c_000880; SPECTRUM1503934; SPBio_001603; SPBio_002109; BPBio1_000188; DTXSID1023441; component of Triavil (Salt/Mix); HMS502L22; KBio1_000880; KBio2_002090; KBio2_004658; KBio2_007226; KBio3_001596; Perphenazine (JP17/USP/INN); AOB5376; NINDS_000880; HMS1568I12; HMS1922M14; HMS2093M15; HMS2095I12; HMS2232D21; HMS3259C09; HMS3262J22; HMS3370O14; HMS3712I12; HMS3885H20; Pharmakon1600-01503934; HY-A0077; Perphenazine 1.0 mg/ml in Methanol; Tox21_110233; Tox21_500930; 1-Piperazineethanol, trihydrochloride; BDBM50130273; CCG-39060; NSC758649; s4731; STK019818; ZINC19228902; AKOS000664046; Tox21_110233_1; CS-5137; DB00850; KS-5105; LP00930; MCULE-6019566915; NC00472; NSC-758649; SDCCGSBI-0050904.P004; IDI1_000880; MRF-0000509; NCGC00015826-01; NCGC00015826-03; NCGC00015826-04; NCGC00015826-05; NCGC00015826-06; NCGC00015826-07; NCGC00015826-08; NCGC00015826-09; NCGC00015826-10; NCGC00015826-13; NCGC00015826-20; NCGC00024092-03; NCGC00024092-04; NCGC00024092-05; NCGC00024092-06; NCGC00261615-01; AC-12196; SBI-0050904.P003; DB-053200; AB00052390; EU-0072164; EU-0100930; FT-0603244; P1970; C07427; D00503; D82041; J10210; AB00052390_17; A831863; L000919; Q423520; SR-01000000137-2; SR-01000000137-4; SR-01000000137-5; SR-01000000137-8; W-105390; BRD-K10995081-001-05-5; BRD-K10995081-001-15-4; WLN: T C666 BN ISJ EG B3- AT6N DNTJ D2Q; Z1945707494; Perphenazine, British Pharmacopoeia (BP) Reference Standard; Perphenazine, European Pharmacopoeia (EP) Reference Standard; Perphenazine, United States Pharmacopeia (USP) Reference Standard; 2-[4-[3-(2-Chlorophenothiazin-10-yl)propyl]-piperazin-1-yl]ethanol; 2-(4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethanol #; Perphenazine for system suitability, European Pharmacopoeia (EP) Reference Standard; 2-Chloro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazine / 4-[3-(2-Chlorophenothiazin-10-yl)propyl]-1-piperazineethanol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8028	DB00850	DR00759	DR1264	404	C21H26ClN3OS	55.2	463	4.2	27	1	5	6	"1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2"	C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO	RGCVKNLCSQQDEP-UHFFFAOYSA-N
DG00799	Procainamide	4913	"PROCAINAMIDE; 51-06-9; Novocainamide; Biocoryl; Novocamid; 4-Amino-N-[2-(diethylamino)ethyl]benzamide; Procaine amide; Pronestyl; Novocainamid; Procamide; 4-amino-N-(2-diethylaminoethyl)benzamide; Novocaine amide; Procainamida; Procainamidum; Procan; Procapan (free base); p-Aminobenzoic diethylaminoethylamide; p-Amino-N-(2-diethylaminoethyl)benzamide; Pronestyl-Sr; 4-Amino-N-(2-(diethylamino)ethyl)benzamide; UNII-L39WTC366D; NSC 27461; CHEBI:8428; 2-Diethylaminoethylamid kyseliny p-aminobenzoove; Benzamide, 4-amino-N-(2-(diethylamino)ethyl)-; Benzamide, 4-amino-N-[2-(diethylamino)ethyl]-; L39WTC366D; Benzamide, p-amino-N-(2-(diethylamino)ethyl)-; Benzamide, p-amino-N-[2-(diethylamino)ethyl]-; NSC-27461; NCGC00015859-07; Rhythmin; DSSTox_CID_3512; Procanbid; SP 100; SP 100 (pharmaceutical); DSSTox_RID_77059; DSSTox_GSID_23512; Procainamide [INN:BAN]; Procainamidum [INN-Latin]; Procainamida [INN-Spanish]; CAS-51-06-9; Procainamide (INN); HSDB 3170; CAS-614-39-1; EINECS 200-078-8; BRN 2214285; 2-Diethylaminoethylamid kyseliny p-aminobenzoove [Czech]; Spectrum_000836; Maybridge1_004389; Prestwick0_000337; Prestwick1_000337; Prestwick2_000337; Prestwick3_000337; Spectrum2_001295; Spectrum3_000555; Spectrum4_000487; Spectrum5_000986; Lopac-P-9391; CHEMBL640; Epitope ID:135397; Sp 100 (pharmaceutical); Cambridge id 5144127; Lopac0_000995; SCHEMBL15914; BSPBio_000373; BSPBio_001463; BSPBio_002229; CBDivE_003757; KBioGR_000183; KBioGR_000973; KBioSS_000183; KBioSS_001316; 4-14-00-01154 (Beilstein Handbook Reference); cid_66068; BIDD:GT0579; DivK1c_000931; SPBio_001329; SPBio_002294; WLN: ZR DVM2N2&2; BPBio1_000411; GTPL4811; DTXSID7023512; BDBM39344; HMS553P13; HY-A0084A; KBio1_000931; KBio2_000183; KBio2_001316; KBio2_002751; KBio2_003884; KBio2_005319; KBio2_006452; KBio3_000365; KBio3_000366; KBio3_001729; NINDS_000931; Bio1_000391; Bio1_000880; Bio1_001369; Bio2_000183; Bio2_000663; HMS1361J05; HMS1791J05; HMS1989J05; HMS2089E13; HMS3402J05; NSC27461; ZINC1530756; Tox21_110246; 7077AB; MFCD00066880; STK367963; AKOS000271131; Tox21_110246_1; 4-Amino-N-(diethylaminoethyl)benzamide; CCG-205075; CS-W009100; DB01035; FS-5697; MCULE-2863739556; SDCCGSBI-0050968.P005; IDI1_000931; IDI1_033933; SMP1_000055; NCGC00015859-01; NCGC00015859-02; NCGC00015859-03; NCGC00015859-04; NCGC00015859-05; NCGC00015859-06; NCGC00015859-08; NCGC00015859-09; NCGC00015859-10; NCGC00015859-11; NCGC00015859-14; NCGC00015859-16; NCGC00015859-18; NCGC00015859-23; NCGC00024323-03; NCGC00024323-04; NCGC00024323-05; NCGC00024323-06; N-(2-Diethylaminoethyl) 4-aminobenzamide; 4-amino-N-(2-diethylaminoethyl) benzamide; SBI-0050968.P004; AB00053530; BB 0216450; N1-[2-(diethylamino)ethyl]-4-aminobenzamide; 4-{N-[2-(diethylamino)ethyl]carbamoyl}aniline; 4-Amino-N-[2-(diethylamino)ethyl]benzamide #; C07401; C75392; D08421; AB00053530-13; AB00053530-15; AB00053530_16; 051P069; L001052; Q417597; BRD-K75089421-001-02-5; BRD-K75089421-003-04-7; BRD-K75089421-003-05-4; BRD-K75089421-003-15-3; Benzamide, 4-amino-N-(2-(diethylamino)ethyl)- (9CI); F2173-1035; 4-azanyl-N-[2-(diethylamino)ethyl]benzamide;hydrochloride"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8428	DB01035	DR00292	.	235.33	C13H21N3O	58.4	221	0.9	17	2	3	6	"1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)"	CCN(CC)CCNC(=O)C1=CC=C(C=C1)N	REQCZEXYDRLIBE-UHFFFAOYSA-N
DG00800	Prochlorperazine	4917	"Prochlorperazine; 58-38-8; Prochlorperazin; Prochlorpromazine; Chlormeprazine; Chlorperazine; Procloperazine; Capazine; Prochlorpemazine; Compazine; Proclorperazine; Meterazin; Meterazine; Stemetil; Tementil; Kronocin; Emelent; Nipodal; Temetid; Prochlorpermazine; Novamin; Proclorperazina; Bayer A 173; Prochlorperazine maleate; Prochloroperazine; Prochlorperazinum; 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; Vertigon; 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine; SKF 4657; 2-Chloro-10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazine; 6140 RP; RP 6140; UNII-YHP6YLT61T; 3-Chloro-10-(3-(1-methyl-4-piperazinyl)propyl)phenothiazine; 10H-Phenothiazine, 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-; Buccastem; CHLOPERAZINE; 2-Chloro-10-(3-(1-methyl-4-piperazinyl)propyl)-phenothiazine; 3-Chloro-10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazine; MLS000028600; N-(gamma-(4'-Methylpiperazinyl-1')propyl)-3-chlorophenothiazine; 10H-Phenothiazine, 2-chloro-10-(3-(4-methyl-1-piperazinyl)propyl)-; Chloro-3 (N-methylpiperazinyl-3 propyl)-10 phenothiazine; Compro; YHP6YLT61T; Prochlorperazine Base; SMR000058705; Prochlorperazine mesylate; CHEBI:8435; 2-chloro-10-(3-(4-methylpiperazin-1-yl)propyl)-10h-phenothiazine; Compazine Suppositories; Phenothiazine, 2-chloro-10-(3-(4-methyl-1-piperazinyl)propyl)-; Prochlorperazinum [INN-Latin]; Proclorperazina [INN-Spanish]; Proazine; MLS001148133; Compro (TN); NSC17478; NSC167375; HSDB 3171; CAS-84-02-6; Compazine (*Maleate*); SMR000653454; EINECS 200-379-4; Chloropernazine; Phenothiazine, 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-; Prochlorperazine (JAN/USP/INN); 2-Chloro-10-(3-(4-methyl-1-piperazinyl)propyl)-10H-phenothiazine; Chloro-3 (N-methylpiperazinyl-3 propyl)-10 phenothiazine [French]; Prochlorperazine [USP:INN:BAN:JAN]; Eskatrol (Salt/Mix); Spectrum_000840; Opera_ID_244; Prestwick0_000399; Prestwick1_000399; Prestwick2_000399; Prestwick3_000399; Spectrum2_001297; Spectrum3_000881; Spectrum4_000972; Spectrum5_001339; Lopac-P-9178; CHEMBL728; Probes1_000265; Probes2_000307; Lopac0_001034; SCHEMBL18429; BSPBio_000617; BSPBio_002394; KBioGR_001343; KBioGR_002304; KBioSS_001320; KBioSS_002306; cid_91499; MLS006011830; DivK1c_000413; SPBio_001333; SPBio_002538; BPBio1_000679; GTPL7279; DTXSID7023514; BDBM78434; KBio1_000413; KBio2_001320; KBio2_002304; KBio2_003888; KBio2_004872; KBio2_006456; KBio2_007440; KBio3_001762; KBio3_002784; cMAP_000013; NINDS_000413; HMS2231P21; STL371212; ZINC19796018; AKOS003600762; CCG-205112; DB00433; RP-6140; SDCCGSBI-0051005.P005; IDI1_000413; MRF-0000068; NCGC00015856-01; NCGC00015856-02; NCGC00015856-03; NCGC00015856-04; NCGC00015856-05; NCGC00015856-06; NCGC00015856-07; NCGC00015856-16; NCGC00023036-03; NCI60_022783; P77; SBI-0051005.P004; 6140 R.P.; DB-053199; AB00053532; FT-0603243; C07403; C16030; D00493; AB00053532_29; AB00053532_30; 058P388; A831861; L001030; Q2359690; BRD-K19352500-070-02-5; BRD-K19352500-070-05-8; BRD-K19352500-332-03-7; SR-01000000260-11; 2-Chloro-10-(3-(1-methyl-4-piperazinyl)-propyl)-phenothiazine; N-(.gamma.-(4'-Methylpiperazinyl-1')propyl)-3-chlorophenothiazine; Phenothiazine, 2-chloro-10-[3-(1-methyl-4-piperazinyl)propyl]-; 2-Chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazine #; 2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;ethane-1,2-disulfonic acid; 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine;ethane-1,2-disulfonic acid; 2-chloro-10-[3-(4-methylpiperazino)propyl]phenothiazine;ethane-1,2-disulfonic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8435	DB00433	DR00592	DR1345	373.9	C20H24ClN3S	35	429	4.9	25	0	4	4	"1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3"	CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl	WIKYUJGCLQQFNW-UHFFFAOYSA-N
DG00804	Rabeprazole	5029	"Rabeprazole; 117976-89-3; Aciphex; Habeprazole; Pariets; 2-(((4-(3-Methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole; 2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]-1H-benzimidazole; CHEBI:8768; LY307640; 2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl)-1H-benzimidazole; Rabeprazole [INN:BAN]; 1H-Benzimidazole, 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-; 2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methane}sulfinyl)-1H-1,3-benzodiazole; pariprazole; rabeprazol; Rabeloc; Eraloc; 1H-Benzimidazole, 2-(((4-(3-methoxypropoxy)-3-methyl-2-pyridinyl)methyl)sulfinyl)-; Rabeprazole (INN); Eraloc (TN); HSDB 7321; 2-[{4-(3-methoxypropoxy)-3-methylpyridin-2-yl}methylsulfinyl]-1H-benzimidazole; 2-{[4-(3-Methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl}-1H-benzimidazole; 2-(((4-(3-Methoxypropoxy)-3-methyl-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazole; 2--1H-benzimidazole; 2-((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methylsulfinyl)-1H-benzo[d]imidazole; LY 307640; CHEMBL1219; SCHEMBL23336; MLS001401446; BIDD:GT0019; GTPL7290; DTXSID3044122; HMS2052P03; HMS3394P03; AMY10338; BCP06638; HY-B0656; BDBM50070209; E-3810 (PPI); MFCD00868879; s4845; STL186112; AKOS015895259; CCG-101158; DB01129; MCULE-7848941080; NC00408; PB21725; 2-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanesulfinyl}-1H-1,3-benzodiazole; NCGC00388029-07; NCGC00388029-09; AS-34993; SMR000469174; SBI-0206867.P001; DB-020298; DS-002860; FT-0602569; FT-0674301; FT-0674302; Q3515; C07864; D08463; AB00698237-06; 976R893; A803856; SR-01000763041; J-003691; SR-01000763041-3; BRD-A39390670-236-04-0; (R)-2-(((4-(3-Methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole; (S)-2-(((4-(3-Methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole; 1H-benzimidazole,2-[(r)-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-; 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]-methyl] sulfinyl]-1H-benzimidazole; 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]-methyl]sulfinyl]-1H-benzimidazole; 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfinyl]-1H-benzimidazole;Rabeprazole; 2-{[(3-Methyl-4-(3-methoxypropoxy)-2-pyridinyl)methyl]sulphinyl}1H-benzimidazole; 2-{4-(3-Methoxypropoxy)-3-methylpyridine-2-yl}methylsulfinyl-1H-benzimidazole"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8768	DB01129	DR01195	.	359.4	C18H21N3O3S	96.3	440	1.9	25	1	6	8	"1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)"	CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC	YREYEVIYCVEVJK-UHFFFAOYSA-N
DG00809	Succinylcholine	5314	"Succinylcholine; Suxamethonium; Succinyldicholine; Succinocholine; Succinoylcholine; Dicholine succinate; Succinylbischoline; Quelicin; 306-40-1; Anectine; Ditilin; suxamethonium chloride; Ditiline; Sucostrin; 2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-TRIMETHYLETHANAMINIUM); UNII-J2R869A8YF; Scoline; CHEBI:45652; CHEMBL703; trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium; J2R869A8YF; Diacetylcholine; Succinyl choline; Choline, succinyl-; Choline, succinate (ester); Succinic acid, diester with choline; trimethyl[2-({4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl}oxy)ethyl]azanium; Choline, succinate (2:1) (ester); HSDB 3254; BRN 1805311; .Succinylcholin; Suxamethonium ion; Succinylcholine ion; Suxamethonium cation; diester with choline; Succinylcholine cation; succinylcholine-chloride; 2ha2; 2ha6; Lopac-S-8251; Epitope ID:116045; Ethanaminium, 2,2'-((1,4-dioxo-1,4-butanediyl)bis(oxy))bis(N,N,N-trimethyl-; Lopac0_001080; SCHEMBL41537; 4-04-00-01451 (Beilstein Handbook Reference); MLS001183716; GTPL4004; DTXSID7048455; AXOIZCJOOAYSMI-UHFFFAOYSA-; HMS2090P14; ZINC1530820; BDBM50061568; STK177290; AKOS022084126; CCG-205157; DB00202; MCULE-7641058357; ETHANAMINIUM,2,2'-[(1,4-DIOXO-1,4-BUTANEDIYL)BIS(OXY)]BIS[N,N,N-TRIMETHYL-; trimethyl-[2-[4-oxo-4-(2-trimethylazaniumylethoxy)butanoyl]oxyethyl]azanium diio; NCGC00015971-01; NCGC00015971-02; NCGC00015971-03; NCGC00015971-04; NCGC00015971-07; NCGC00162336-01; SMR000677912; C07546; AB00375912-06; L000926; Q424378; 2,2''-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(N,N,N-trimethylethanaminium)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45652	DB00202	.	.	290.4	C14H30N2O4+2	52.6	284	0.6	20	0	4	11	"1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2"	C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C	AXOIZCJOOAYSMI-UHFFFAOYSA-N
DG00818	Gatifloxacin	5379	"Gatifloxacin; 112811-59-3; Tequin; Gatiflo; Zymar; AM-1155; Zymaxid; AM 1155; gatifloxacin anhydrous; CG 5501; 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; BMS-206584; GTFX; BMS 206584-01; PD 135432; 1-Cyclopropyl-1,4-dihydro-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; Gatifloxacin hydrate; CHEMBL31; 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-; 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid; PD-135432; CHEBI:5280; Gatilox; Gatiquin; Gatispan; 160738-57-8; Gaity; CG5501; MFCD00895399; NSC-758701; gatifloxin; NCGC00068236-02; 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid; DSSTox_CID_25704; DSSTox_RID_81076; DSSTox_GSID_45704; Gatifloxacin [USAN:INN]; Bonoq; Tymer; Zymer; 1-cyclopropyl-6-fluoro- 8-methoxy-7-(3-methylpiperazin-1-yl)- 4-oxo-quinoline-3-carboxylic acid; 3-Quinolinecarboxylic acid,1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-; SMR000043336; Gatifloxacin (TN); Gatifloxacin (INN); CAS-112811-59-3; Zymer (TN); 1-cyclopropyl-6-fluoro-8-methoxy-7-; SR-01000610458; (3-methylpiperazin-1-yl)-4-oxo-1,4-; gatifloxacino; gatifloxacinum; Gatifloxcin; Tequin in dextrose 5% in plastic container; AM-1155 (*Sesquihydrate*); Gatifloxacin & Gamma Interferon; Gatifloxacin,(S); (+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; CG-5501; Kinome_3137; Spectrum_001909; CPD000043336; PD135432; BMS-206584-01; Spectrum2_000487; Spectrum3_000999; Spectrum4_001127; Spectrum5_001468; Gatifloxacin (sesquihydrate); SCHEMBL22591; BSPBio_002697; KBioGR_001613; KBioSS_002448; 1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; MLS000040259; MLS000759493; MLS006011836; SPECTRUM1504272; SPBio_000353; Gatifloxacin Sesquihydrate,(S); DTXSID5045704; GTPL10816; KBio2_002442; KBio2_005010; KBio2_007578; KBio3_001917; HMS1922J15; HMS2090K10; HMS2093G06; HMS2233D20; HMS3259P06; HMS3372J10; HMS3372J12; HMS3715N03; Pharmakon1600-01504272; ALBB-028535; AMY17781; BCP13408; RKL10068; Tox21_110984; BBL010485; BDBM50117914; CCG-39529; NSC758701; s1340; STK801620; C19H22FN3O4.1.5H2O; AKOS004119932; AKOS016340697; Tox21_110984_1; AC-1944; CS-1841; DB01044; KS-1066; MCULE-4557972261; NC00702; NSC 758701; NCGC00068236-03; NCGC00068236-04; NCGC00068236-05; NCGC00068236-06; NCGC00068236-07; NCGC00068236-08; NCGC00095126-01; NCGC00095126-02; NCGC00178525-01; BMS-20658401; HY-10581; SBI-0206764.P001; DB-019145; Gatifloxacin 100 microg/mL in Acetonitrile; FT-0626635; FT-0631189; FT-0668952; G0325; C07661; D08011; G-2380; AB00171654-13; AB00171654-14; AB00171654_16; AB00171654_17; 811G593; A802657; Gatifloxacin, Antibiotic for Culture Media Use Only; Q2365016; SR-01000610458-2; SR-01000610458-3; BRD-A74980173-001-02-8; BRD-A74980173-001-06-9; 1-Cyclopropyl-6-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-3-quinolinecarboxylic acid; 1-Cyclopropyl-6-6-fluoro-1,4-dihydro-8-methoxy-7-(3methylpiperazin-1-yl)-4-oxo-3-quinolinecarboxylic acid; 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-3-quinolinecarboxylic acid; 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid; 1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic a; 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazino)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid; 1-cyclopropyl-7-(3-methyl-1-piperazinyl)-6-fluoro-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5280	DB01044	DR01165	.	375.4	C19H22FN3O4	82.1	653	-0.7	27	2	8	4	"1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)"	CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F	XUBOMFCQGDBHNK-UHFFFAOYSA-N
DG00823	Thiethylperazine	5440	"Thiethylperazine; Torecan; ETHYLTHIOPERAZINE; 1420-55-9; Tietilperazina; Thiethylperazinum; Norzine; Thiethylperazine maleate; UNII-8ETK1WAF6R; 2-(ethylthio)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine; 8ETK1WAF6R; 3-Ethylmercapto-10-(1'-methylpiperazinyl-4'-propyl)phenothiazine; 10H-Phenothiazine, 2-(ethylthio)-10-(3-(4-methyl-1-piperazinyl)propyl)-; 2-(ethylsulfanyl)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine; CHEBI:9544; 1179-69-7; 2-(Ethylthio)-10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazine; 2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; Thiethylpipezazine; GS-95; Theithylperazine; 2-(Ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine; Tietilperazina [DCIT]; Phenothiazine, 2-(ethylthio)-10-(3-(4-methyl-1-piperazinyl)propyl)-; 10H-Phenothiazine, 2-(ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]-; Thiethylperazinum [INN-Latin]; 2-Ethylthio-10-(3-(4-methylpiperazin-1-yl)propyl)phenothiazine; Thioethylperazine; MLS002154140; Phenothiazine, 2-(ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]-; Thiethylperazine [USAN:INN:BAN]; 2-(ethylthio)-10-(3-(4-methylpiperazin-1-yl)propyl)-10H-phenothiazine; NSC130044; HSDB 3400; Norzine (*Dimaleate*); SMR001233447; EINECS 215-819-0; GS-95 (*Dimaleate*); Thiethylperazine (USAN/INN); Norzine (Salt/Mix); Torecan (Salt/Mix); Tresten (Salt/Mix); CHEMBL1378; SCHEMBL49124; GTPL7306; DTXSID1023651; BDBM78436; cid_3085006; BCP09601; Thiethylperazine maleate (Salt/Mix); ZINC22446674; DB00372; NCGC00262537-04; AB00514742; C07132; D02354; L000871; Q372725; 2-(Ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]phenthiazine; 2-(ethylthio)-10-[3-(4-methylpiperazino)propyl]phenothiazine;malic acid; 2-(Ethylsulfanyl)-10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazine #; 2-(ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine;2-hydroxybutanedioic acid; 2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-oxidanylbutanedioic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9544	DB00372	.	.	399.6	C22H29N3S2	60.3	455	5.4	27	0	5	6	"1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3"	CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C	XCTYLCDETUVOIP-UHFFFAOYSA-N
DG00829	Triamterene	5546	"Triamterene; 396-01-0; 6-phenylpteridine-2,4,7-triamine; 2,4,7-Triamino-6-phenylpteridine; Dyrenium; Dytac; Pterofen; Pterophene; Triamteren; Triamteril; Triteren; Ademin; Ademine; Diurene; Noridil; Taturil; Teridin; Urocaudal; Jatropur; Noridyl; Triampur; Diren; Ditak; Dyren; Teriam; Tri-Span; Triamteril complex; Trispan; 6-Phenyl-2,4,7-pteridinetriamine; 2,4,7-Pteridinetriamine, 6-phenyl-; SK&F 8542; 6-Phenyl-2,4,7-triaminopteridine; SKF 8542; Pteridine, 2,4,7-triamino-6-phenyl-; 2,4,7-Triamino-6-fenilpteridina; C12H11N7; UNII-WS821Z52LQ; BRN 0266723; Diucelpin; NSC-77625; SK-8542; WS821Z52LQ; Masuharmin; Triamizide; Triamthiazid; Amteren; Dinazide; Diutensat; Diuteren; Dyberzide; Dytenzide; Esiteren; Hidiurese; Hydrene; Hypertorr; Jenateren; Kalspare; Nephral; Renezide; Reviten; Tricilone; Triurene; Uretren; Diarol; Isobar; Trizid; Anjal; Dazid; Turfa; Apo-triazide; Thiazid Wolff; NCI-C56042; NSC77625; Ademin(e); MFCD00006708; NCGC00016016-10; Triamterena; Triamterenum; CAS-396-01-0; Triazide; Fluss 40; SALI-PUREN; DSSTox_CID_1373; DSSTox_RID_76117; DSSTox_GSID_21373; Triamterenum [INN-Latin]; Triamterena [INN-Spanish]; Dyrenium (TN); CCRIS 5872; Pteridine deriv. 11; HSDB 3405; 2,4,7-Triamino-6-fenilpteridina [Italian]; NCI C56042; SR-01000002968; EINECS 206-904-3; NSC 77625; NSC 639359; AI3-60017; Prestwick_480; SK&F-8542; Dyazide (Salt/Mix); Triamterene [USAN:USP:INN:BAN:JAN]; Spectrum_000508; Triamterene, >=99%; Prestwick0_000034; Prestwick1_000034; Prestwick2_000034; Prestwick3_000034; Spectrum2_000938; Spectrum3_001372; Spectrum4_000366; Spectrum5_001034; Lopac-T-4143; CHEMBL585; T 4143; NCIOpen2_004741; Lopac0_001196; Oprea1_825704; SCHEMBL40707; BSPBio_000127; BSPBio_002924; KBioGR_000831; KBioSS_000988; 5-26-17-00447 (Beilstein Handbook Reference); MLS000069431; BIDD:GT0534; DivK1c_000433; SPECTRUM1500589; SPBio_000876; SPBio_002048; BDBM6644; BPBio1_000141; CHEBI:9671; GTPL4329; Triamterene (JP17/USP/INN); 2,7-Triamino-6-phenylpteridine; 6-Phenyl-2,7-triaminopteridine; DTXSID6021373; HMS501F15; KBio1_000433; KBio2_000988; KBio2_003556; KBio2_006124; KBio3_002144; SKF8542; NINDS_000433; 3'-Bromobiphenyl-3-carboxylicacid; HMS1568G09; HMS2092O17; HMS2095G09; HMS2232B04; HMS3259C08; HMS3263P13; HMS3371D10; HMS3652E10; HMS3712G09; Pharmakon1600-01500589; ZINC120286; 2,7-Pteridinetriamine, 6-phenyl-; Pteridine,4,7-triamino-6-phenyl-; BCP28855; HY-B0575; 2,4,7-triamino-6-phenyl-pteridine; Tox21_110283; Tox21_202021; Tox21_302833; Tox21_501196; CCG-40090; NSC639359; NSC757367; s4080; STK300348; AKOS003790819; Tox21_110283_1; DB00384; LP01196; MCULE-5832721534; NC00544; NSC-639359; NSC-757367; SDCCGSBI-0051163.P004; IDI1_000433; SMP1_000147; NCGC00016016-01; NCGC00016016-02; NCGC00016016-03; NCGC00016016-04; NCGC00016016-05; NCGC00016016-06; NCGC00016016-07; NCGC00016016-08; NCGC00016016-09; NCGC00016016-11; NCGC00016016-12; NCGC00016016-13; NCGC00016016-14; NCGC00016016-15; NCGC00016016-16; NCGC00016016-18; NCGC00016016-28; NCGC00016016-29; NCGC00023458-03; NCGC00023458-04; NCGC00023458-05; NCGC00023458-06; NCGC00023458-07; NCGC00256495-01; NCGC00259570-01; NCGC00261881-01; AC-14066; AS-12471; SMR000059118; SBI-0051163.P003; DB-049442; AB00052116; B2275; BB 0256885; EU-0101196; SW196688-3; T1288; Triamterene 1.0 mg/ml in Dimethyl Sulfoxide; Dyrenium; ; ; 2,4,7-Triamino-6-phenylpteridine; D00386; D95706; WLN: T66 BN DN GN JNJ CZ EZ HR& IZ; AB00052116_13; AB00052116_14; 396T010; A824641; Q221520; SR-01000002968-2; SR-01000002968-4; SR-01000002968-6; BRD-K92049597-001-05-9; BRD-K92049597-001-10-9; Z275128596; Triamterene, British Pharmacopoeia (BP) Reference Standard; Triamterene, European Pharmacopoeia (EP) Reference Standard; Triamterene, United States Pharmacopeia (USP) Reference Standard; Triamterene, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9671	DB00384	DR01341	DR1636	253.26	C12H11N7	130	307	1	19	3	7	1	"1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)"	C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N	FNYLWPVRPXGIIP-UHFFFAOYSA-N
DG00830	Trifluoperazine	5566	"Trifluoperazine; Trifluperazine; 117-89-5; Trifluoroperazine; Trifluoperazin; Triflurin; Triperazine; Trifluoperazina; Flurazine; Trifluoromethylperazine; Stelazine; Trifluoperazinum; Trifluroperizine; Triphthasine; Eskazine; RP 7623; Fluoperazine; TFP; 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine; Trifluoromethyl-10-(3'-(1-methyl-4-piperazinyl)propyl)phenothiazine; 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine; NSC 17474; 10-(3-(4-methylpiperazin-1-yl)propyl)-2-(trifluoromethyl)-10H-phenothiazine; 10-[3-(4-Methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine; Calmazine; UNII-214IZI85K3; 10-(3-(4-Methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)phenothiazine; 10H-Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-; 10-(gamma-(N'-Methylpiperazino)propyl)-2-trifluoromethylphenothiazine; 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE; SKF 5019; CHEBI:45951; 214IZI85K3; 2-Trifluoromethyl-10-(3'-(1-methyl-4-piperazinyl)propyl)phenothiazine; 10H-Phenothiazine, 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-; NSC-17474; NSC17474; Phenothiazine, 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-; Trifluoperazina [Italian]; Apo-Trifluoperazine; Trifluoperazine [INN:BAN]; Trifluoperazinum [INN-Latin]; Trifluoperazina [INN-Spanish]; MLS001146870; MLS002702821; 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-10H-phenothiazine; SMR001566649; CCRIS 6994; NSC-46061; C21H24F3N3S; HSDB 3195; Trifluoperazine (INN); 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine dihydrochloride; CAS-440-17-5; EINECS 204-219-4; Apo-trifluoperazine (TN); NSC 46061; Stelazine (*Dihydrochloride*); 2-Trifluoromethyl-10-[3'-(1-methyl-4-piperazinyl)propyl]phenothiazine; Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-; NCI17474; Synklor (Salt/Mix); Stelazine (Salt/Mix); Triftazin (Salt/Mix); Spectrum_000668; Terfluzine (Salt/Mix); Triftazine (Salt/Mix); Jatroneural (Salt/Mix); Fluoperazine (Salt/Mix); Triphthazine (Salt/Mix); Prestwick0_000313; Prestwick1_000313; Prestwick2_000313; Prestwick3_000313; Spectrum2_000828; Spectrum3_001374; Spectrum4_000368; Spectrum5_001553; Lopac-T-8516; Biomol-NT_000060; CHEMBL422; cid_5566; 2-(((4-chlorophenyl)sulfonyl)amino)-benzoicaci; NCIStruc1_001127; NCIStruc2_001093; BIDD:PXR0132; Lopac0_001232; SCHEMBL24866; BSPBio_000306; BSPBio_001190; BSPBio_002928; GTPL214; KBioGR_000530; KBioGR_000835; KBioGR_002431; KBioSS_000530; KBioSS_001148; KBioSS_002437; MLS006011857; DivK1c_000843; SPBio_000755; SPBio_002525; BPBio1_000338; BPBio1_001345; DTXSID1046928; BDBM79181; cid_2913535; KBio1_000843; KBio2_000530; KBio2_001148; KBio2_002431; KBio2_003098; KBio2_003716; KBio2_004999; KBio2_005666; KBio2_006284; KBio2_007567; KBio3_000959; KBio3_000960; KBio3_002148; KBio3_002910; cMAP_000048; NINDS_000843; Bio1_000458; Bio1_000947; Bio1_001436; Bio2_000435; Bio2_000915; HMS1362L11; HMS1792L11; HMS1990L11; HMS2089J11; HMS3429O07; KUC109776N; BCP32898; EX-A3330; CCG-37306; NCGC00013226; PDSP1_001300; PDSP2_001284; s5856; STK182873; ZINC19418959; 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-phenothiazine; AKOS001487920; DB00831; MCULE-3726407978; RP-7623; SDCCGSBI-0051199.P005; IDI1_000843; IDI1_002190; KSC-210-031; MRF-0000088; QTL1_000085; NCGC00013226-02; NCGC00013226-03; NCGC00013226-04; NCGC00013226-05; NCGC00013226-06; NCGC00013226-07; NCGC00013226-08; NCGC00013226-09; NCGC00013226-10; NCGC00013226-11; NCGC00013226-12; NCGC00013226-13; NCGC00013226-15; NCGC00013226-26; NCGC00024251-03; NCGC00024251-04; NCGC00024251-05; NCGC00024251-06; NCGC00024251-07; M989; NCI60_001427; NCI60_004087; SBI-0051199.P003; AB00053558; FT-0650159; C07168; D08636; AB00053558-27; AB00053558_28; AB00053558_29; L001075; Q1752915; SR-01000003020-6; BRD-K89732114-001-02-6; BRD-K89732114-001-03-4; BRD-K89732114-001-05-9; BRD-K89732114-300-05-5; BRD-K89732114-300-07-1; Triphthazine;Trifluperazine;NSC-17474;RP-7623;SKF-5019; 10-(.gamma.-(N'-Methylpiperazino)propyl)-2-trifluoromethylphenothiozine; 10-[3-(4-Methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine #; 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride; 10-[3-(4-methylpiperazino)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45951	DB00831	DR00664	DR1641	407.5	C21H24F3N3S	35	510	5	28	0	7	4	"1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3"	CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F	ZEWQUBUPAILYHI-UHFFFAOYSA-N
DG00833	Reserpine	5770	"Reserpine; 50-55-5; Serpalan; Serpasil; Apoplon; Serpivite; Hypersil; Alserin; Elserpine; Hiserpia; Raunervil; Raupasil; Rausedil; Rausedyl; Rauwasedin; Reserpin; Serpanray; Resine; Rivasin; Sandril; Serpate; (-)-Reserpine; Rau-Sed; Ascoserpina; Austrapine; Bioserpine; Enipresser; Eskaserpine; Helfoserpin; Hiposerpil; Maviserpin; Mayserpine; Mephaserpin; Purserpine; Rauserpine; Reserpamed; Reserpanca; Alkarau; Apsical; Banasil; Benazyl; Carditivo; Carrserp; Escaspere; Eserpine; Eskaserp; Hypersine; Idsoserp; Interpina; Lemiserp; Loweserp; Neoserfin; Neoserp; Quiescin; Raudiford; Raudixoid; Rauloydin; Raumorine; Raunorine; Raupoid; Raurine; Rausedan; Rauserpol; Rausingle; Rautrin; Rauvlid; Rauwilid; Rauwipur; Rauwoleaf; Rawilid; Resedrex; Reserbal; Resercaps; Resercen; Reserjen; Reserlor; Reserpal; Reserpene; Reserpex; Reserpil; Reserpina; Reserpoid; Respital; Restran; Riserpa; Roxinoid; Kitine; Raucap; Raugal; Raulen; Rausan; Reserp; Key-serpine; 3P Reserp; Crystoserpine; Neo-antitensol; Rauserpin-Alk; Deserpine; Reserpinum; Ryser; Reserfia; 3,4,5-Trimethoxybenzoyl methyl reserpate; V-Serp; Carpacil; Gilucard; Klimanosid; Resaltex; Resedril; Reserpidefe; Recipin; Serpine; ENT 50146; Raunova; Residin; Serpivate; Rese-lar; Reser-ar; NCI-C50157; H 520; UNII-8B1QWR724A; Sedaraupina; Temposerpine; Eberpine; Raudixin; Reserpur; Residine; Resocalm; Resperine; Rezerpin; Sandron; Sedaraupin; Sedserp; Serfolia; Serolfia; Serpaloid; Serpasol; Serpazol; Serpena; Serpentil; Serpentina; Serpicon; Serpiloid; Serpogen; Serpoid; Serpone; Sertabs; Sertens; Sertina; Triserpin; Unilord; Serfin; Serpen; Roxel; Vio-Serpine; SK-Reserpine; Renese R; T-Serp; C33H40N2O9; CHEMBL772; Broserpine; R-e-s; Sederaupin; Serpaneurona; Tefaserpina; Tenserpinie; Tepserpine; Eberspine; Reserpka; Resiatric; Resperin; Rivased; Rolserp; Roxynoid; Serpazil; Serpedin; Serpentin; Serpipur; Serpyrit; Sertensin; Serpil; Tempo-Reserpina; 8B1QWR724A; 50-55-5 (free); Mallopress; Rcra waste number U200; Hydropine; Hydroserp; Rauwita; .gamma.-Serpine; CHEBI:28487; Hydromox-R; Diurese-R; NSC59272; Metatensin #2; Metatensin #4; MFCD00005091; NSC-59272; component of Naquival; component of Regroton; Hydropres 25; Hydropres 50; Hydrosine 25; NSC-237659; (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester; methyl (1S,2R,3R,4aS,13bR,14aS)-2,11-dimethoxy-3-((3,4,5-trimethoxybenzoyl)oxy)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylate; methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate; Usaf cb-27; component of Renese R; component of Metatensin; NCGC00091250-04; Hydroserpalan; Diupres 250; Diupres 500; l-Carpserp; component of Butiserpazide; DSSTox_CID_1237; Hydroserpine Plus; Hydroserpine #1; DSSTox_RID_76029; DSSTox_GSID_21237; Chloroserp-250; Chloroserp-500; Chloroserpin-250; Yohimban-16-carboxylic acid,11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester,(3b,16b,17a,18b,20a)-; Serpasil premix; Chloroserpine-500; Hydro-Reserpine-25; Hydro-Reserpine-50; Hydro-Fluserpine #1; l -Carpserp; Caswell No. 722A; Serp-AFD; Reserpina [INN-Spanish]; 3,5-Trimethoxybenzoyl methyl reserpate; Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-; (1S,2R,3R,4aS,13bR,14aS)-methyl 2,11-dimethoxy-3-((3,4,5-trimethoxybenzoyl)oxy)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylate; methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate; methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-bis(methyloxy)-18-({[3,4,5-tris(methyloxy)phenyl]carbonyl}oxy)yohimban-16-carboxylate; SMR000059122; Apoplon (TN); CCRIS 550; Serpine (pharmaceutical); HSDB 213; Methyl reserpate 3,5-trimethyloxybenzoic acid; 11,17-Dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)yohimban-16-carboxylic acid methyl ester; Methyl reserpate 3,5-trimethoxybenzoic acid ester; EINECS 200-047-9; RCRA waste no. U200; EPA Pesticide Chemical Code 123101; NSC 237659; BRN 0102014; AI3-50146; WLN: T F6 D5 C666 EM ON&&TTTJ HO1 SOVR CO1 DO1 EO1& TO1 UVO1; Reserpine [USP:INN:BAN:JAN]; CAS-50-55-5; Reserpine,(S); Serpalan (TN); 3-.beta., 18-.beta.-hydroxy-11,17-.alpha.-dimethoxy-,methyl ester, 3,4,5-trimethoxybenzoate (ester); 3.beta., 18.beta.-hydroxy-11,17.alpha.-dimethoxy- methyl ester 3,4,5-trimethoxybenzoate (ester); Benz[g]indolo[2, 1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-3-hydroxy-2,11-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate; methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-{[(3,4,5-trimethoxyphenyl)carbonyl]oxy}yohimban-16-carboxylate; Yohimban-16-carboxylic acid,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-; Prestwick_147; Methyl reserpate 3,4,5-trimethoxybenzoic acid ester; Reserpine, 99%; Spectrum_000109; Reserpic acid methyl ester 3,4,5-trimethoxybenzoate (ester); 79 more names available; 1263-94-1; Prestwick0_000875; Prestwick1_000875; Prestwick2_000875; Prestwick3_000875; Spectrum3_000894; Spectrum4_000989; Spectrum5_001415; R 0875; SCHEMBL2589; Lopac0_000073; BSPBio_000949; KBioGR_001397; KBioSS_000549; 4-25-00-01319 (Beilstein Handbook Reference); Methyl 18beta-hydroxy-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylate 3,4,5-trimethoxybenzoate (ester); methyl dimethoxy-(3,4,5-trimethoxybenzoyl)oxy-[ ]carboxylate; MLS002154046; MLS006011754; DivK1c_000012; SPECTRUM1500526; SPBio_002870; Reserpine (JP17/USP/INN); AMY591; BPBio1_001045; GTPL4823; MEGxp0_001904; DTXSID7021237; ACon1_000086; HMS500A14; KBio1_000012; KBio2_000549; KBio2_003117; KBio2_005685; KBio3_001808; AOB5791; NINDS_000012; HMS1570P11; HMS1920P04; HMS2092G05; HMS2097P11; HMS2234E24; HMS3260O07; HMS3413D20; HMS3677D20; HMS3714P11; HMS3884I21; Pharmakon1600-01500526; HY-N0480; Reserpine, Vetec(TM) reagent grade; RKL10049; ZINC3938746; Tox21_111107; Tox21_202395; Tox21_300537; Tox21_500073; BBL028800; BDBM50017712; ENT-50146; NSC237659; NSC757309; STK801975; AKOS000277559; Tox21_111107_1; CCG-204168; CS-1913; DB00206; KS-5106; LP00073; MCULE-9131256292; MCULE-9946449258; NSC-757309; SDCCGSBI-0050061.P005; IDI1_000012; NCGC00091250-01; NCGC00091250-02; NCGC00091250-03; NCGC00091250-05; NCGC00091250-06; NCGC00091250-07; NCGC00091250-08; NCGC00091250-09; NCGC00091250-10; NCGC00091250-12; NCGC00091250-14; NCGC00091250-25; NCGC00254489-01; NCGC00259944-01; NCGC00260758-01; 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester); AC-13142; AC-34405; BR164333; methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate; NCI60_004446; SBI-0050061.P004; EU-0100073; Reserpine, crystallized, >=99.0% (HPLC); SW196458-3; UNM000011053801; C06539; D00197; J10192; AB01562943_01; 005R091; A913268; Q407841; Q-100566; BRD-K95921201-001-07-0; Methyl reserpate; 3,4,5-Trimethoxybenzoic acid ester; Reserpine, certified reference material, TraceCERT(R); Reserpine solution, 1 pg/muL in methanol: water (1:1); Reserpine, European Pharmacopoeia (EP) Reference Standard; Reserpine Standard for LC-MS, analytical standard, for LC-MS; Reserpine, United States Pharmacopeia (USP) Reference Standard; Reserpine, Pharmaceutical Secondary Standard; Certified Reference Material; (3 ,16 ,17 ,18 ,20 )-11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester; (3beta,16beta,17alpha,18beta,20alpha)-11,17-Dimethoxy-18- [(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxyl ic acid methyl ester; 3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy- methyl ester 3,4,5-trimethoxybenzoate (ester) (8CI); methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[(3,4,5-trimethoxyphenyl)carbonyloxy]-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate; Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-(3,4,5-trimethoxybenzoyl)oxy-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28487	DB00206	DR00636	DR2310	608.7	C33H40N2O9	118	1000	4	44	1	10	10	"1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1"	CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC	QEVHRUUCFGRFIF-MDEJGZGSSA-N
DG00838	Cantharidin	5944	"Cantharidin; 56-25-7; CANTHARIDINE; Cantharone; Kantaridin; Cantharides camphor; Kantharidin; 1,2-Dimethyl-3,6-epoxyperhydrophthalic anhydride; UNII-IGL471WQ8P; NSC61805; exo-1,2-cis-Dimethyl-3,6-epoxyhexahydrophthalic anhydride; Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione; BRN 0085302; AI3-04021; (3ar,4s,7r,7as)-3a,7a-dimethylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione; IGL471WQ8P; CHEMBL48449; 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3aR,4S,7R,7aS)-rel-; CHEBI:64213; 7a-Dimethylhexahydro-3a,4,7-epoxyisobenzofuran; CAN [Alkaloid]; MFCD00134968; NSC-61805; Cantharidin (USAN); Cantharidin [USAN]; 3a,7a-Dimethylhexahydro-4,7-epoxyisobenzofuran-1,3-dione; NSC 61805; Kantharidin [German]; Caswell No. 157; (3a ,4 ,7 ,7a )-Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione; 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-,(3aR,4S,7R,7aS)-rel-; CCRIS 635; 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-; 2,3-Dimethyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic anhydride; 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic anhydride, 2,3-dimethyl-; HSDB 2181; EINECS 200-263-3; EPA Pesticide Chemical Code 013101; Cantaridina; Cantharidinum; CAS-56-25-7; NCGC00016247-01; Prestwick3_000885; (1R,2S,3R,6S)-1,2-Dimethyl-3,6-epoxycyclohexane-1,2-dicarboxylic anhydride; 2,3-dicarboxylic anhydride; Hexahydro-3aalpha,7aalpha-dimethyl-4beta,7beta-epoxyisobenzofuran-1,3-dione; NCIMech_000301; BSPBio_000670; 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha); 5-19-05-00051 (Beilstein Handbook Reference); SCHEMBL152262; BPBio1_000738; Cantharides camphor, Cantharone; cid_6708701; HMS2097B12; HMS3412J13; HMS3676J13; 1,6-epoxyperhydrophthalic anhydride; 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-; ACT03236; AMY33451; BCP09819; HY-N0209; BDBM50090505; CCG-35382; CCG-36082; WHO 11470; ZINC17611186; AKOS015895930; AC-7967; CS-4979; DB12328; 4,3-dione, hexahydro-3a,7a-dimethyl-; exo-1,6-epoxyhexahydrophthalic anhydride; NCGC00025212-02; NCGC00025212-03; NCGC00025212-04; NCGC00025212-05; NCGC00025212-31; AS-18735; NCI60_005413; WLN: T C555 A AO DVOVTJ C1 G1; AB00513946; Hexahydro-3a,7-epoxyisobenzofuran-1,3-dione; X1105; D11745; 7-Oxabicyclo[2.2.1]heptane-2, 2,3-dimethyl-; 134C968; Q410884; SR-01000597585; SR-01000597585-1; BRD-K80684056-001-01-0; (3aR,4S,7R,7aS)-3a,7a-dimethylhexahydro-4,7-epoxyisobenzofuran-1,3-dione; (1R,2S,6R,7S)-2,6-Dimethyl-4,10-dioxa-tricyclo[5.2.1.0*2,6*]decane-3,5-dione; (1R,7S)-2,6-Dimethyl-4,10-dioxa-tricyclo[5.2.1.0*2,6*]decane-3,5-dione; (1S,2R,6S,7R)-2,6-Dimethyl-4,10-dioxa-tricyclo[5.2.1.0*2,6*]decane-3,5-dione; (1S,2R,6S,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione; (1S,3S,4R,7R)-2,6-dimethyl-4,10-dioxa-tricyclo[5.2.1.0-2,6]decane-3,5-dione; 4,3-dione, hexahydro-3a,7a-dimethyl-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-; Cantharidin:4,7-Epoxyisobenzofuran-1,3-dione,hexahydro-3a,7a- dimethyl-, (3a,4,7,7a)-,"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:64213	DB12328	.	.	196.2	C10H12O4	52.6	318	0.6	14	0	4	0	"1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-"	C[C@@]12[C@H]3CC[C@@H]([C@@]1(C(=O)OC2=O)C)O3	DHZBEENLJMYSHQ-XCVPVQRUSA-N
DG00842	Edetic acid	6049	"EDTA; Edetic acid; Ethylenediaminetetraacetic acid; 60-00-4; Endrate; Versene; Edathamil; Havidote; Sequestrol; Titriplex; EDTA acid; Cheelox; Sequestric acid; Warkeelate acid; Gluma cleanser; Sequestrene aa; Komplexon ii; Quastal Special; Tetrine acid; Versene acid; Metaquest A; Trilon bw; Complexon II; Hamp-ene acid; Titriplex II; Cheelox BF acid; Trilon BS; Celon A; Chelest 3A; Questex 4H; Celon ATH; Chemcolox 340; Universne acid; Vinkeil 100; Dissolvine E; Nullapon B acid; Nullapon bf acid; Perma kleer 50 acid; Nervanaid B acid; Clewat TAA; (Ethylenedinitrilo)tetraacetic acid; EDTA (chelating agent); Versenate; Ethylenedinitrilotetraacetic acid; Calcium disodium versenate; Acidum edeticum; Edetate disodium; Acide edetique; Acido edetico; Caswell No. 438; Disodium EDTA; Chelaton 3; ICRF 185; Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-; Cheladrate; SEQ 100; Edetate calcium; Ethylenebisiminodiacetic acid; YD 30; Acide edetique [INN-French]; Acido edetico [INN-Spanish]; Acidum edeticum [INN-Latin]; CCRIS 946; Edetate; ETHYLENEDIAMINE TETRAACETIC ACID; HSDB 809; Acide ethylenediaminetetracetique; Ethylenediamine-N,N,N',N'-tetraacetic acid; 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid; UNII-9G34HU7RV0; Acetic acid, (ethylenedinitrilo)tetra-; EPA Pesticide Chemical Code 039101; Edta disodium; Ethylenebis(iminodiacetic acid); Disodium edetate; Disodium versene; Endrate disodium; Kyselina ethylendiamintetraoctova; Sodium versenate; Edetic acid disodium salt; Ethylenediaminetetraacetate; Kyselina ethylendiamintetraoctova [Czech]; Acide ethylenediaminetetracetique [French]; Metaquest B; ethylene diamine tetraacetic acid; Kiresuto B; Chelaplex III; Complexon III; Diso-Tate; Titriplex III; 3,6-Diazaoctanedioic acid, 3,6-bis(carboxymethyl)-; AI3-17181; Chelaton III; Versene NA; Triplex III; Disodium versenate; Edathamil disodium; Trilon BD; Versene Na2; Disodium sequestrene; Disodium tetracemate; EDTA disodium salt; F 1 (complexon); MFCD00003541; EDTA, ion(4-); CHEMBL858; Sequestrene sodium 2; Acetic acid, 2,2',2'',2'''-(1,2-ethanediyldinitrilo)tetrakis-; N,N'-1,2-Ethanediylbis(N-(carboxymethyl)glycine); Glycine, N,N'-1,2-ethanediylbis(N-(carboxymethyl)-; {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID; Disodium salt of EDTA; 9G34HU7RV0; Perma Kleer Di Crystals; Calcium disodium versenate (TN); ethylene-diamine tetraacetic acid; 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetic acid; CHEBI:42191; 2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid; 4-04-00-02449 (Beilstein Handbook Reference); N,N'-1,2-Ethane diylbis-(N-(carboxymethyl)glycine); Ethylenediaminetetraacetic acid disodium salt; Edetate calcium disodium (USP); Sequestrene Na2; Trilon B; Selekton B2; Disodium ethylenediaminetetraacetate; (ethylenedinitrilo)tetraacetic acid, ion(4-); Perma kleer 50 crystals disodium salt; Disodium (ethylenedinitrilo)tetraacetate; Disodium ethylenediaminetetraacetic acid; SODIUM ETHYLENEDIAMINETETRAACETATE; CaEDTA; CBC 50152966; DR-16133; Ethylenediaminetetraacetate, disodium salt; Disodium diacid ethylenediaminetetraacetate; D'E.d.t.a. disodique; Disodium (ethylenedinitrilo)tetraacetic acid; 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate; Disodium dihydrogen ethylenediaminetetraacetate; Ethylenediaminetetraacetic acid, disodium salt; Disodium dihydrogen(ethylenedinitrilo)tetraacetate; 139-33-3; NSC2760; 470462-56-7; C10H16N2O8; N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycine]; NCGC00159485-02; 6381-92-6; EINECS 200-449-4; BRN 1716295; disodium-edta; Edetic acid [INN:BAN:NF]; (Ethylenedinitrilo)tetraacetic acid, disodium salt; 2-[2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetic acid; Tricon bw; ([2-(Bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino)-acetic acid; {[2-(Bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid; Calcium Disodium Edetate (JAN); Techrun DO; EDTA, anhydrous; Zonon AO; EDTA, free acid; EDTA, free base; ACETIC ACID, (ETHYLENEDINITRILO)TETRA-, DISODIUM SALT; Versene acid (TN); Acroma DH 700; Spectrum_001018; Edetic acid (NF/INN); 53632-26-1; Spectrum2_000003; Spectrum3_000412; Spectrum4_000531; Spectrum5_000955; Edetic acid [BAN:INN]; DSSTox_CID_2977; EC 200-449-4; EDTA, anhydrous ACS grade; DSSTox_RID_76814; DSSTox_GSID_22977; ethylenediaminetetracetic acid; BSPBio_001964; Diaminoethanetetra-acetic acid; Ethylenediamineteraacetic Acid; KBioGR_001161; KBioSS_001498; ethylenediaminetetraacetic-acid; MLS001249457; BIDD:ER0565; DivK1c_000777; ethylenediamine tetracetic acid; SPBio_000005; ethylenediamine-tetraacetic acid; DTXSID6022977; KBio1_000777; KBio2_001498; KBio2_004066; KBio2_006634; KBio3_001184; (Ethylenedintrilo)tetraacetic acid; ethylen-ediamine tetra-acetic acid; NINDS_000777; CS-B1827; HY-Y0682; STR08855; Tox21_202736; BDBM50330325; s6350; STK386291; ZINC19364242; AKOS001574475; Glycine, (N,N'-1,2-ethanediylbis(N-(carboxymethyl)-, labeled with carbon-14; (ethane-1,2-diyldinitrilo)tetraacetate; DB00974; MCULE-1868494404; CAS-60-00-4; IDI1_000777; NCGC00159485-03; NCGC00159485-04; NCGC00260284-01; 688-55-1; AC-10615; SMR000058776; SBI-0051360.P003; DB-084840; DS-003836; B7197; E0084; Ethylenediaminetetraacetic acid, 2Na (EDTA); Ethylenediaminetetraacetic acid, LR, >=98%; FT-0626319; FT-0668253; FT-0668254; C00284; D00052; Ethylenediaminetetraacetic acid, p.a., 98.0%; AB00053468_03; Ethylenediaminetetraacetic acid solution, 0.02 N; Ethylenediaminetetraacetic acid, >=98.0% (KT); A832566; N,N'-1,2-Ethanediylbis[N-(carboxymethyl)]glycine; Q408032; SR-01000883946; Ethylenediaminetetraacetic acid, Cell Culture Reagent; J-610078; SR-01000883946-1; 37C3C5E7-D921-445F-82D6-FEBF1AE5AEF5; Ethylenediaminetetraacetic acid, Electrophoresis Grade; Z2688689169; Ethylenediaminetetraacetic acid, BioUltra, >=99.0% (KT); Ethylenediaminetetraacetic acid, 0.5M aq. solution, pH 8.0; Ethylenediaminetetraacetic acid, 99.995% trace metals basis; Ethylenediaminetetraacetic acid, SAJ special grade, >=99.0%; Ethylenediaminetetraacetic acid, Vetec(TM) reagent grade, 98%; [{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]acetic acid; 2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetraacetic acid; Edetic acid, United States Pharmacopeia (USP) Reference Standard; Ethylenediaminetetraacetic acid, ACS reagent, 99.4-100.6%, powder; Ethylenediaminetetraacetic acid, purified grade, >=98.5%, powder; 2,2'',2'''',2''''''-(ethane-1,2-diylbis(azanetriyl))tetraacetic acid; Ethylenediaminetetraacetic acid, 0.5M aqueous solution, pH 8.0, autoclaved; Ethylenediaminetetraacetic acid, BioUltra, anhydrous, >=99% (titration); Glycine, N,N'-1, {2-ethanediylbis[N-(carboxymethyl)-,} disodium salt; {[2-(Bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid(EDTA); 2-[2-[bis(2-hydroxy-2-oxoethyl)amino]ethyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid; Ethylenediaminetetraacetic acid, anhydrous, free-flowing, Redi-Dri(TM), >=98%; 124949-23-1; Ethylenediamine-N,N,N inverted exclamation mark ,N inverted exclamation mark -tetraacetic Acid-13C4 (; A-labels); Ethylenediaminetetraacetic acid solution, 0.02% in DPBS (0.5 mM), sterile-filtered, BioReagent, suitable for cell culture; Ethylenediaminetetraacetic acid solution, BioUltra, for molecular biology, pH 8.0, ~0.5 M in H2O; Ethylenediaminetetraacetic acid, anhydrous, crystalline, BioReagent, suitable for cell culture; Ethylenediaminetetraacetic acid, anhydrous, free-flowing, powder, Redi-Dri(TM), ACS reagent, 99.4-100.6%"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:42191	DB00974	.	.	292.24	C10H16N2O8	156	316	-5.9	20	4	10	11	"1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)"	C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O	KCXVZYZYPLLWCC-UHFFFAOYSA-N
DG00847	Cycloserine	6234	"D-cycloserine; cycloserine; 68-41-7; Seromycin; orientomycin; Oxamycin; Cyclo-D-serine; Cyclorin; D-4-amino-3-isoxazolidinone; Cicloserina; Farmiserina; Miroseryn; Tisomycin; Wasserina; Closina; Cycloserinum; D-4-amino-3-isoxazolidone; alpha-Cycloserine; (4R)-4-amino-1,2-oxazolidin-3-one; (+)-4-Amino-3-isoxazolidinone; Miroserina; Tebemicina; Novoserin; (R)-4-AMINOISOXAZOLIDIN-3-ONE; (+)-Cycloserine; Oxamicina; D-(+)-Cycloserine; (4R)-4-aminoisoxazolidin-3-one; PA 94; Cycloserin; Micoserina; PA-94; (R)-4-AMINO-ISOXAZOLIDIN-3-ONE; D-Oxamycin; RO-1-9213; D-CS; E-733-A; 3-Isoxazolidinone, 4-amino-, (4R)-; D-4-Amino-3-isossazolidone; 3-Isoxazolidinone, 4-amino-, (R)-; HSDB 3218; D-Oxamicina; 3-Isoxazolidinone, 4-amino-, d-; K-300; UNII-95IK5KI84Z; I-1431; 3-Isoxazolidinone, 4-amino-, (+)-; NSC 154851; CHEBI:40009; AI3-50153; D-Cycloserine, synthetic; DCS; (R)-(+)-4-Amino-3-isoxazolidinone; CHEMBL771; SC-49088; 95IK5KI84Z; MFCD00005353; CAS-68-41-7; NCGC00016306-01; Oxamicina [Italian]; Cicloserina [Italian]; DSSTox_CID_2870; 3-Isoxazolidinone, 4-amino-, (+)- (8CI); DSSTox_RID_76766; DSSTox_GSID_22870; Cycloserinum [INN-Latin]; Cicloserina [INN-Spanish]; Cycloserine, D-; Closerin; .alpha.-Cycloserine; (R)-Cycloserine; Seromycin (TN); SMR000058313; D-4-Amino-3-isossazolidone [Italian]; R-(+)-Cycloserine; (R)-4-Amino-3-isoxazolidinone; (4R)-4-Amino-3-isoxazolidinone; CYCLOSERINE (D); SR-01000075432; DRG-0195; (R)-(+)-Cycloserine; EINECS 200-688-4; D-amino-3-isoxazolidinone; BRN 0080798; (R)-4-Amino-3-isoxazolidone; NSC-76029; cycloserine-(d); Serine, cyclo-; NSC-154851; 3-Isoxazolidinone, 4-amino-, D; R(+)-4-Amino-3-isoxazolidinone; Cycloserine [USP:INN:BAN:JAN]; 4AX; 3-Isoxazolidinone, 4-amino-, (R); Cycloserine, D(+); D-Cycloserine, powder; Spectrum_000860; 1pb9; Prestwick0_001089; Prestwick1_001089; Prestwick2_001089; Prestwick3_001089; Spectrum2_000084; Spectrum3_000371; Spectrum4_000305; Spectrum5_000797; Lopac-C-1159; Lopac-C-3909; Lopac-C-7005; 3-Isoxazolidinone, 4-amino-, (4R)- (9CI); C 3909; C-9390; C-9400; Lopac0_000252; SCHEMBL34322; BSPBio_001138; BSPBio_002121; KBioGR_000890; KBioSS_001340; 4-27-00-05549 (Beilstein Handbook Reference); MLS000758215; MLS001423962; MLS002548887; BIDD:GT0707; D-Cycloserine synth. BP 88; DivK1c_000098; SPECTRUM1500215; SPBio_000008; SPBio_003029; BPBio1_001252; FA6C7F8B-D080-4EA3-978F-1ECFB5A29D09; GTPL9489; Cycloserine (JP17/USP/INN); 4-Amino-3-isoxazolidinone, D-; DTXSID8022870; HMS500E20; KBio1_000098; KBio2_001340; KBio2_003908; KBio2_006476; KBio3_001341; NINDS_000098; HMS1571I20; HMS1920C06; HMS2051C15; HMS2091I14; HMS2098I20; HMS2232F03; HMS3259L19; HMS3260D06; HMS3715I14; NJ-21; Pharmakon1600-01500215; (R)-3-Isoxazolidinone, 4-amino-; 4-Amino-3-isoxazolidinone, (R)-; ACT04767; HY-B0030; Tox21_110361; Tox21_500252; BDBM50038178; BDBM50103516; CCG-39705; D-Cycloserine, >=96.0% (NT); LMPK14000007; NSC756712; s1998; ZINC34676245; 4-Isoxazolidinamine, 3-oxo-, (D)-; AKOS015994626; Tox21_110361_1; AC-4721; DB00260; HS-0079; LP00252; MCULE-4212827696; NC00050; NC00676; NSC-756712; SDCCGSBI-0050240.P005; IDI1_000098; SMP1_000167; NCGC00015213-01; NCGC00015213-02; NCGC00015213-03; NCGC00016306-02; NCGC00016306-03; NCGC00016306-04; NCGC00016306-05; NCGC00016306-07; NCGC00016306-08; NCGC00016306-17; NCGC00093713-01; NCGC00093713-02; NCGC00260937-01; CAS-339-72-0; K138; SBI-0050240.P004; AB00443920; EU-0100252; C08057; D00877; AB00443920_09; AB00443920_10; 005C353; A836140; Q418508; SR-01000759389; SR-01000075432-1; SR-01000075432-2; SR-01000075432-5; SR-01000075432-9; SR-01000759389-4; SR-01000075432-10; F2173-1228; Z1522567171; Cycloserine, United States Pharmacopeia (USP) Reference Standard; Cycloserine, Pharmaceutical Secondary Standard; Certified Reference Material; (4R)-4-azaniumyl-4,5-dihydroisoxazol-3-olate;(R)-4-AMINOISOXAZOLIDIN-3-ONE"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:40009	DB00260	DR00197	.	102.09	C3H6N2O2	64.4	92.9	-1.5	7	2	3	0	"1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1"	C1[C@H](C(=O)NO1)N	DYDCUQKUCUHJBH-UWTATZPHSA-N
DG00850	Mestranol	6291	"Mestranol; 72-33-3; Norquen; Menophase; Devocin; Ovastol; Ethynylestradiol 3-methyl ether; EE3ME; Mestranolum; 3-Methoxyethynylestradiol; EE(sub3)ME; Ethynylestradiol methyl ether; 3-Methylethynylestradiol; 3-O-Methylethynylestradiol; Compound 33355; Inostral; 3-Methylethynyloestradiol; 3-Methoxyethynyloestradiol; 3-Methoxy-17alpha-ethynylestradiol; SC 4725; 17-Ethynyloestradiol 3-methyl ether; UNII-B2V233XGE7; component of Norinyl; component of Ortho-Novum; (8R,9S,13S,14S,17R)-17-Ethynyl-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol; EE3-ME; Ethinylestradiol 3-methyl ether; Ethinyloestradiol 3-methyl ether; Ethynyloestradiol 3-methyl ether; MLS000028595; B2V233XGE7; CHEBI:6784; 17-Ethynylestradiol 3-methyl ether; component of Ovulen; component of Norquen; delta-MVE; 17alpha-Ethynylestradiol 3-methyl ether; (8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol; Inostral (steroid); Mestranolo [DCIT]; NCGC00093347-02; Mestranolo; SMR000059128; (17beta)-17-ethynyl-3-(methyloxy)estra-1,3,5(10)-trien-17-ol; DSSTox_CID_814; DSSTox_RID_75804; DSSTox_GSID_20814; Mestranolum [INN-Latin]; Caswell No. 547A; .delta.-MVE; 17alpha-Ethinyl estradiol 3-methyl ether; 17-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17-ol; 3-Methoxy-17alpha-ethinylestradiol; 3-Methoxy-17alpha-ethinyloestradiol; 3-Methoxy-17alpha-ethynyloestradiol; 3-Methoxy-17-alpha-ethinylestradiol; 3-Methoxy-17-alpha-ethynylestradiol; 17alpha-Ethynylestradiol methyl ether; 3-Methoxy-17-alpha-ethinyloestradiol; 3-Methoxy-17-alpha-ethynyloestradiol; CCRIS 377; 17-alpha-Ethynyloestradiol methyl ether; 17alpha-Ethinylestradiol 3-methyl ether; 8027 C. B.; 17alpha-Ethynyloestradiol 3-methyl ether; 3-Methoxy-17-ethynyloestradiol-17-beta; Mestranol [Steroidal oestrogens]; 17alpha-Ethinyl oestradiol 3-methyl ether; HSDB 3588; 17-alpha-Ethinyl estradiol 3-methyl ether; 17-alpha-Ethinyl oestradiol 3-methyl ether; EINECS 200-777-8; NSC 84032; EPA Pesticide Chemical Code 115401; 17beta-Estradiol, 17-ethynyl-, 3-(methyl ether); BRN 2625905; NSC84032; 17-Ethynyl-3-methoxy-1,3,5(10)-oestratien-17-beta-ol; AI3-51798; NSC-84032; 3-Methoxy-17alpha-ethynyl-1,3,5(10)-estratrien-17beta-ol; 3-Methoxy-17alpha-ethynyl-1,3,5(10)-oestratrien-17beta-ol; 17-alpha-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17-beta-ol; 3-Methoxy-17-alpha-ethynyl-1,3,5(10)-estratrien-17-beta-ol; 3-Methoxy-17-alpha-ethynyl-1,3,5(10)-oestratrien-17-beta-ol; CAS-72-33-3; 3-Methoxy-17-alpha-19-norpregna-1,3,5(10)-trien-20-yn-17-ol; 3-Methoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yn-17-ol; 3-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yn-17-ol; 19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, (17alpha)-; Prestwick_966; Mestranol, 99%; Mestranol [USAN:USP:INN:BAN:JAN]; EEI3ME; Estra-1,3,5(10)-trien-17beta-ol, 17-ethynyl-3-methoxy-; Opera_ID_872; 17alpha-19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-; Estra-1,3,5(10)-trien-17-beta-ol, 17-alpha-ethynyl-3-methoxy-; Prestwick0_000846; Prestwick1_000846; Prestwick2_000846; Prestwick3_000846; (+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-estratriene; (17-alpha)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol; 17-ethynyl-3-methoxyestra-1(10),2,4-trien-17-ol; EE-3ME; EE3 ME; (+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene; 17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-estratriene; 17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-oestratriene; 3,17-beta-Dihydroxy-17-alpha-ethynyl-1,3,5(10)-estratriene-3-methyl ether; SCHEMBL41391; BSPBio_000831; MLS001077321; MLS001424224; BIDD:ER0199; SPBio_002752; Mestranol (JP17/USP/INN); BPBio1_000915; ethynylestradiol-3-methyl ether; GTPL7087; 17-ethynyl-3-methoxyestra-1(10),2,4-trien-17beta-ol; CHEMBL1201151; DTXSID0020814; 17-ethynyl-3-methoxyoestra-1(10),2,4-trien-17beta-ol; 3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17beta-ol; HMS1570J13; HMS2051J22; HMS2097J13; HMS2230L20; HMS3714J13; HY-B0390; ZINC3815424; Tox21_111200; Tox21_301837; 17-alpha-19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-; 19-Nor-17alpha-pregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-; 4-Cyano-3-fluorophenyl4-butylbenzoate; AKOS005267152; Tox21_111200_1; CCG-101067; DB01357; MCULE-6161762887; NC00317; NCGC00093347-03; NCGC00093347-05; NCGC00093347-07; NCGC00179410-01; NCGC00255342-01; AC-13293; AS-56063; H072; S2125; Mestranol, VETRANAL(TM), analytical standard; C07618; C76306; D00575; 003M689; Q904308; SR-01000695429; SR-01000695429-4; BRD-K31920458-001-03-8; BRD-K31920458-001-23-6; Mestranol, European Pharmacopoeia (EP) Reference Standard; (17beta)-17-ethynyl-3-methoxyestra-1(10),2,4-trien-17-ol; Mestranol, United States Pharmacopeia (USP) Reference Standard; 17.Alpha.-19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-meth; (+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene; (+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene; (+ )-17.alpha.-Ethynyl-17.beta.-hydroxy-3-methoxy-1,3, 5(10)-oestratriene; (+)-17.alpha.-Ethynyl-17.beta.-hydroxy-3-methoxy-1,3, 5(10)-estratriene; (1S,10R,11S,14R,15S)-14-ethynyl-5-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-ol; (8R,13S,17R)-17-Ethynyl-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6784	DB01357	.	DR1034	310.4	C21H26O2	29.5	519	4	23	1	2	2	"1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC	IMSSROKUHAOUJS-MJCUULBUSA-N
DG00851	Tryptophan	6305	"L-tryptophan; tryptophan; 73-22-3; L-Tryptophane; h-Trp-oh; (S)-Tryptophan; Tryptophane; Optimax; trofan; tryptacin; Ardeytropin; (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; Pacitron; Indole-3-alanine; Kalma; L-beta-3-Indolylalanine; L-Tryptofan; L-Trp; L-(-)-Tryptophan; 3-Indol-3-ylalanine; Tryptan; Lyphan; Tryptophan (VAN); 1-beta-3-Indolylalanine; Tryptophan (H-3); Triptofano [Spanish]; Tryptophanum [Latin]; 1H-Indole-3-alanine; 1beta-3-Indolylalanine; 2-Amino-3-indolylpropanoic acid; L(-)-Tryptophan; triptofano; Tryptophanum; (S)-alpha-Amino-1H-indole-3-propanoic acid; Tryptophane [French]; Tryptophan, L-; (L)-TRYPTOPHAN; (-)-Tryptophan; alpha'-Amino-3-indolepropionic acid; Tryptophan [USAN:INN]; L-alpha-amino-3-indolepropionic acid; L-alpha-Aminoindole-3-propionic acid; Sedanoct; (S)-alpha-Aminoindole-3-propionic acid; 1H-Indole-3-alanine (VAN); EH 121; trp; Alanine, 3-indol-3-yl-; (S)-2-Amino-3-(3-indolyl)propionic acid; CCRIS 617; L-Alanine, 3-(1H-indol-3-yl)-; 1H-Indole-3-alanine, (S)-; alpha-Amino-3-indolepropionic acid, L-; HSDB 4142; (S)-alpha-amino-beta-(3-indolyl)-propionic acid; NCI-C01729; AI3-18478; UNII-8DUH1N11BX; Indole-3-propionic acid, alpha-amino-; 1H-Indole-3-propanoic acid, alpha-amino-, (S)-; Propionic acid, 2-amino-3-indol-3-yl-; CHEBI:16828; Lopac-T-0254; MFCD00064340; 8DUH1N11BX; (S)-alpha-Amino-beta-indolepropionic acid; CHEMBL54976; (S)-2-Amino-3-(1H-indol-3-yl)propanoic acid; DSSTox_CID_1419; DSSTox_RID_76152; DSSTox_GSID_21419; l-b-3-Indolylalanine; D-Trp-OH; CAS-73-22-3; Propionic acid, 2-amino-3-indol-3-yl; L-Tryptophan (9CI); Tryptophan (USP/INN); (S)-a-Amino-b-indolepropionic acid; (S)-a-Aminoindole-3-propionic acid; Alanine, 3-indol-3-yl; EINECS 200-795-6; NSC 13119; (2S)-2-amino-3-(1H-indol-3-yl)propanoate; trytophan; (S)-a-Amino-1H-indole-3-propanoic acid; TRP-01; Trytophan-; 2-amino-3-indol-3-ylpropanoic acid; L-Trytophan; NSC-13119; 1qaw; L-Tryptophan,(S); L-Trp-OH; 2a4m; H-L-Trp-OH; L-Tryptophan (JP17); S(-)-1-alpha-Aminoindole-3-propionic acid; Tryptophan ((-),l,s); Tryptophan (L-Tryptophan); Tryptophan, L- (8CI); bmse000050; bmse000868; bmse001017; Epitope ID:136043; EC 200-795-6; T 0254; SCHEMBL7328; 2-Amino-3-indolylpropanoate; (S)-(-)-2-Amino-3-(3-indolyl)propionic Acid; (S)-1H-Indole-3-alanine; Lopac0_001183; GTPL717; MLS001056750; DivK1c_000457; (s)-a-amino-b-indolepropionate; 151A3008-4CFE-40C9-AC0B-467EF0CB50EA; DTXSID5021419; (S)-a-Aminoindole-3-propionate; BDBM21974; HMS501G19; KBio1_000457; ZINC83315; 3-(1H-indol-3-yl)-L-Alanine; L-a-Amino-3-indolepropionic acid; NINDS_000457; alpha-Aminoindole-3-propionic acid; HMS3263N07; Pharmakon1600-01500600; ACT08662; HY-N0623; L-Tryptophan, Cell Culture Reagent; STR02722; (S)-alpha-Aminoindole-3-propionate; Tox21_201246; Tox21_300359; Tox21_501183; HTS001390; NSC757373; s3987; (s)-alpha-amino-beta-indolepropionate; L-Tryptophan, Vetec(TM), 98.5%; (S)-a-Amino-1H-indole-3-propanoate; AKOS015854052; Indoe-3-propionic acid, alpha-amino-; 2-Chloro-5-(methylsulfonyl)benzoicacid; AM82273; CCG-205257; CS-W020011; DB00150; LP01183; MCULE-8004234494; NSC-757373; SDCCGSBI-0051150.P002; IDI1_000457; NCGC00015994-01; NCGC00094437-01; NCGC00094437-02; NCGC00094437-03; NCGC00094437-04; NCGC00094437-08; NCGC00254424-01; NCGC00258798-01; NCGC00261868-01; (S)-alpha-Amino-1H-indole-3-propanoate; AC-17050; BP-13286; SMR000326686; TS-04426; DB-029986; L-Tryptophan, BioUltra, >=99.5% (NT); A7403; EU-0101183; T0541; (S)-Tryptophan 1H-Indole-3-alanine, (S)-; 73T223; C00078; D00020; L-Tryptophan, reagent grade, >=98% (HPLC); M02943; P16427; AB00373874_05; L-Tryptophan, Vetec(TM) reagent grade, >=98%; (S)-2-amino-3-(1H-Indol-3-yl)-propionic acid; A837752; Q181003; SR-01000075590; 4-(3-METHOXYANILINO)-4-OXOBUT-2-ENOICACID; SR-01000075590-1; F0001-2364; Z1245635763; L-Tryptophan, certified reference material, TraceCERT(R); Tryptophan, European Pharmacopoeia (EP) Reference Standard; UNII-0O72R8RF8A component QIVBCDIJIAJPQS-VIFPVBQESA-N; UNII-N7U7BXP2OI component QIVBCDIJIAJPQS-VIFPVBQESA-N; UNII-X9U7434L7A component QIVBCDIJIAJPQS-VIFPVBQESA-N; L-Tryptophan, United States Pharmacopeia (USP) Reference Standard; 80206-30-0; L-Tryptophan, from non-animal source, meets EP, JP, USP testing specifications, suitable for cell culture, 99.0-101.0%; L-Tryptophan, PharmaGrade, Ajinomoto, EP, JP, USP, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production, suitable for cell culture"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16828	DB00150	DR00086	DR0991	204.22	C11H12N2O2	79.1	245	-1.1	15	3	3	3	"1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1"	C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N	QIVBCDIJIAJPQS-VIFPVBQESA-N
DG00856	Proflavine	7099	"Proflavine; acridine-3,6-diamine; Proflavin; 92-62-6; 3,6-Diaminoacridine; 3,6-ACRIDINEDIAMINE; Isoflav base; Proflavine hemisulfate; Proflavina; Proflavinum; 2,8-Diaminoacridinium; Acridine, 3,6-diamino-; 3,6-Diaminoacridinium; 3,7-Diamino-5-azaanthracene; 2,8-Diaminoacridine; UNII-CY3RNB3K4T; 1811-28-5; Proflavine (hemisulfate); CY3RNB3K4T; CHEBI:8452; Proflavine [INN]; Profura; Progarmed; Proflavinum [INN-Latin]; PRL; Proflavina [INN-Spanish]; Proflavin hemisulfate;3,6-Diaminoacridine hemisulfate; 2,8-Diaminoacridine (European); CCRIS 1244; MFCD00149650; HSDB 7071; NCGC00166245-01; EINECS 202-172-4; BRN 0166050; AI3-52128; 1bcu; 1qvt; 1qvu; 3,6-Acridinediamine hydrochloride; 3,6-diaminoacridin; 3,6-Diaminoacridine hemisulfate salt; proflavine-hemisulfate; NCIMech_000209; SCHEMBL27386; 5-22-11-00322 (Beilstein Handbook Reference); AE-562/12222295; CHEMBL55400; Proflavine;3,6-Diaminoacridine; SCHEMBL8149677; YSCH0132; DTXSID9043776; BDBM12590; WDVSHHCDHLJJJR-UHFFFAOYSA-; 2v57; Proflavine hemisulfate salt hydrate; 3,6-diamino acridine hydrochloride; ALBB-024962; HY-B1741; ZINC3775644; MFCD00005030; STK380650; AKOS005449844; AT13412; CCG-339542; DB01123; MCULE-9362278105; NCGC00166245-02; NCI60_004643; NCI60_004767; NCI60_032077; CS-0013756; S5776; AB00375967-03; AB00375967_04; (6-aminoacridin-3-yl)amine;sulfuric acid;hydrate; A909942; Q420454; SR-01000883943; SR-01000883943-1; UNII-1T3A50395T component WDVSHHCDHLJJJR-UHFFFAOYSA-N"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8452	DB01123	.	.	209.25	C13H11N3	64.9	232	1.8	16	2	3	0	"1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2"	C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N	WDVSHHCDHLJJJR-UHFFFAOYSA-N
DG00860	Azacitidine	9444	"5-azacytidine; Azacitidine; 320-67-2; Ladakamycin; Azacytidine; Vidaza; Mylosar; 5-azacitidine; Azacitidinum; Azacitidina; Azacitidinum [INN-Latin]; 5-AZAC; Azacitidina [INN-Spanish]; NSC-102816; C8H12N4O5; NSC 102816; U-18496; 4-Amino-1-beta-D-ribofuranosyl-s-triazin-2(1H)-one; UNII-M801H13NRU; NSC102816; 5AzaC; 4-Amino-1-beta-d-ribofuranosyl-1,3,5-triazin-2(1H)-one; Antibiotic U 18496; CHEBI:2038; M801H13NRU; 4-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,3,5-triazin-2(1H)-one; 4-Amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one; MFCD00006539; 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one; 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one; WR-183027; NCGC00090851-04; DSSTox_CID_116; U 18496; DSSTox_RID_75378; DSSTox_GSID_20116; U-18,496; CCRIS 60; SMR000857239; Vidaza (TN); HSDB 6879; 5-aza-CR; SR-01000075662; EINECS 206-280-2; BRN 0620461; Onureg; Azacitidine (JAN/USAN/INN); Azacitidine [USAN:INN:BAN]; 4-Amino-1-beta-D-ribofuranosyl-1,3,5-traizin-2(1H)-one; NS-17; 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one; CAS-320-67-2; Azacitidine (Vidaza); 2-(beta-D-Ribofuranosyl)-4-amino-1,3,5-triazin-2-one; Antibiotic U18496; U18496; Spectrum_001262; 4-Amino-1-beta-D-ribofuranosyl-1,3,5-triazine-2(1H)-one; Spectrum2_000786; Spectrum3_001509; Spectrum4_000922; Spectrum5_001166; MolMap_000062; A 2385; SCHEMBL3741; CHEMBL1489; Azacitidine (5-Azacytidine); Lopac0_000035; BSPBio_003157; KBioGR_001444; KBioGR_002556; KBioSS_001742; KBioSS_002565; MLS001333121; MLS001333122; MLS002153249; MLS002548894; DivK1c_000125; SPECTRUM1502111; SPBio_000892; GTPL6796; DTXSID9020116; BCBcMAP01_000083; HMS500G07; KBio1_000125; KBio2_001742; KBio2_002556; KBio2_004310; KBio2_005124; KBio2_006878; KBio2_007692; KBio3_002657; KBio3_003034; NMUSYJAQQFHJEW-KVTDHHQDSA-; pyrimidine antimetabolite: inhibits nucleic acid replication; cMAP_000082; NINDS_000125; HMS1921J22; HMS2092D08; HMS2231F15; HMS3259D19; HMS3260G11; Pharmakon1600-01502111; ZINC3861768; 5-Azacytidine, >=98% (HPLC); Tox21_111032; Tox21_302985; Tox21_500035; BDBM50424715; CCG-39046; NSC758186; s1782; Onureg (CC-486; oral azacitidine); AKOS015896938; Tox21_111032_1; AM83944; CS-1287; DB00928; LP00035; MCULE-8318770472; NC00672; NSC-758186; NSC103-627; 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triaz; IDI1_000125; NCGC00090851-01; NCGC00090851-02; NCGC00090851-03; NCGC00090851-05; NCGC00090851-06; NCGC00090851-07; NCGC00090851-08; NCGC00090851-10; NCGC00090851-14; NCGC00090851-22; NCGC00178234-01; NCGC00256541-01; NCGC00260720-01; AS-13697; HY-10586; SRI-10756_10; SRI-10756_12; WR183027; DB-006955; SL-000003; EU-0100035; D03021; F10504; J10124; 320A672; A821115; Q416451; J-700085; SR-01000075662-1; SR-01000075662-3; SR-01000075662-7; BRD-K03406345-001-02-1; BRD-K03406345-001-27-8; 4-Amino-1- -D-ribofuranosyl-1,3,5-triazin-2(1H)-one; Z1522566611; 4-Amino-1-(bet.-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one; 4-Amino-1-beta-D-ribofuranosyl-1,3,5-tr iazin-2(1H)-one; s-Triazin-2(1H)-one, 4-amino-1-beta-D-ribofuranosyl- (8CI); Azacitidine, United States Pharmacopeia (USP) Reference Standard; 4-Amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one; Ladakamycin; Azacitidine, Pharmaceutical Secondary Standard; Certified Reference Material; 1401238-97-8; 5-Azacytidine, Hybri-Max(TM), gamma-irradiated, lyophilized powder, BioXtra, suitable for hybridoma; 5AE; 6-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-1,3,5-triazin-3-ium-2-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2038	DB00928	DR00983	DR0163	244.2	C8H12N4O5	141	384	-2.2	17	4	5	2	"1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1"	C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N	NMUSYJAQQFHJEW-KVTDHHQDSA-N
DG00865	Melarsoprol	10311	"MELARSOPROL; 494-79-1; Mel B; Arsobal; Melarsoprolum [INN-Latin]; EINECS 207-793-4; RP 3854; CHEBI:6729; [2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol; RP-3854; Melarsoprolum; (2-(4-((4,6-diamino-1,3,5-triazin-2-yl)amino)phenyl)-1,3,2-dithiarsolan-4-yl)methanol; (2-{4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl}-1,3,2-dithiarsolan-4-yl)methanol; Melarsoprol [INN:BAN:DCF]; Specia; UNII-ZF3786Q2E8; Melarsoprol (INN); Mel B (TN); CHEMBL166; 1,3,2-Dithiarsolane-4-methanol, 2-(4-((4,6-diamino-1,3,5-triazin-2-yl)amino)phenyl)-; SCHEMBL61707; DTXSID90862033; ZF3786Q2E8; DB12864; 2-(p-(4,6-Diamino-s-triazin-2-ylamino)phenyl)-1,3,2-dithiarsolane-4-methanol; C08001; D00832; Q419753; 2-[4-{(4,6-Diamino-1,3,5-triazin-2-yl)amino}phenyl]-1,3,2-dithiarsolan-e-4-methanol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6729	DB12864	.	.	398.3	C12H15AsN6OS2	174	353	.	22	4	9	4	"1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)"	C1C(S[As](S1)C2=CC=C(C=C2)NC3=NC(=NC(=N3)N)N)CO	JCYZMTMYPZHVBF-UHFFFAOYSA-N
DG00867	Medroxyprogesterone	10631	"Medroxyprogesterone; 520-85-4; Medroxyprogesteron; Medroxiprogesteronum; Medroxiprogesterona; Medroxyprogesteronum; 17-Hydroxy-6alpha-methylprogesterone; Hydroxymethylprogesterone; Medrossiprogesterone; 17alpha-Hydroxy-6alpha-methylprogesterone; 6alpha-Methyl-17alpha-hydroxyprogesterone; 6alpha-Methyl-4-pregnen-17alpha-ol-3,20-dione; 17-Hydroxy-6alpha-methyl-pregn-4-ene-3,20-dione; UNII-HSU1C9YRES; Medroxy Progesterone; U 8840; (6alpha)-17-hydroxy-6-methylpregn-4-ene-3,20-dione; HSU1C9YRES; (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; Pregn-4-ene-3,20-dione, 17-hydroxy-6-alpha-methyl-; MLS000069571; CHEBI:6715; 17alpha-Hydroxy-6alpha-methyl-4-pregnene-3,20-dione; SMR000058769; Medrossiprogesterone [DCIT]; NSC 27408; DSSTox_CID_16508; DSSTox_RID_79284; DSSTox_GSID_36508; Medroxyprogesteronum [INN-Latin]; Medroxiprogesterona [INN-Spanish]; Medroxyprogesterone [INN:BAN]; 17-Hydroxy-6.alpha.-methylprogesterone; 6-Dihydromegestrol; CAS-520-85-4; 17.alpha.-Hydroxy-6.alpha.-methylprogesterone; 6.alpha.-Methyl-17.alpha.-hydroxyprogesterone; HSDB 3114; 6-alpha-Methyl-17-alpha-hydroxyprogesterone; MLS002639162; EINECS 208-298-6; Farlutal inyectable (TN); Medroxyprogesterone (INN); BRN 2510965; NCGC00183122-01; CPD000058769; Pregn-4-ene-3,20-dione, 17-hydroxy-6-methyl-, (6alpha)-; Opera_ID_433; CHEMBL1390; 6alpha-Methyl-5-pregnen-17alpha-ol-3,20-dione; SCHEMBL37494; 4-08-00-02211 (Beilstein Handbook Reference); MLS001076098; MLS001424229; GTPL2879; DTXSID0036508; 17-Hydroxy-6a-methylprogesterone; HMS2052A13; HMS2230B08; HY-B0648; NSC27408; ZINC5763835; Tox21_113401; 3808AH; LMST02030176; MFCD00069474; s3635; AKOS015961681; Tox21_113401_1; CCG-101111; NC00361; MRF-0000022; NCGC00023064-04; NCGC00023064-05; AC-14528; M3113; 17; A-Hydroxy-6; A-methylprogesterone;U8840; Medroxyprogesterone acetate Related Compound B; C07119; C75441; D08166; Pregn-4-ene-3, 17-hydroxy-6.alpha.-methyl-; 520M854; A899740; Q416667; (6 )-17-Hydroxy-6-methylpregn-4-ene-3,20-dione; Medroxyprogesterone, VETRANAL(TM), analytical standard; Pregn-4-ene-3, 17-hydroxy-6-methyl-, (6.alpha.)-; Pregn-4-ene-3,20-dione, 17-hydroxy-6-methyl-, (6alpha)- (9CI); Pregn-4-ene-3,20-dione, 17-hydroxy-6-methyl-, (6-alpha)- (9CI); (6S,8R,10R,13S,17R)-17-Acetyl-17-hydroxy-6,10,13-trimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one; (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one; Medroxyprogesterone acetate Related Compound B, United States Pharmacopeia (USP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6715	.	.	.	344.5	C22H32O3	54.4	664	3.5	25	1	3	1	"1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1"	C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C	FRQMUZJSZHZSGN-HBNHAYAOSA-N
DG00883	Cladribine	20279	"Cladribine; 2-Chloro-2'-deoxyadenosine; 4291-63-8; Leustatin; 2-Chlorodeoxyadenosine; 2-CdA; Chlorodeoxyadenosine; CldAdo; ADENOSINE, 2-CHLORO-2'-DEOXY-; Litak; 2-Chloro-2'-deoxy-beta-adenosine; Cladaribine; RWJ 26251; 2-chloro-deoxyadenosine; 2ClAdo; UNII-47M74X9YT5; MLS000028377; 2CdA; Cladarabine; RWJ-26251; (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol; Leustat; SMR000058553; (2R,3S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol; (2R,3S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol; 2-chloro-6-amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine; CHEBI:567361; 47M74X9YT5; MFCD00153939; NSC-105014; Movectro; Mylinax; DSSTox_CID_2828; DSSTox_RID_76747; DSSTox_GSID_22828; cladribina; cladribinum; mavenclad; Leustatin (TN); CL9; CAS-4291-63-8; 2 Chlorodeoxyadenosine; SR-01000003063; NSC 105014; BRN 0624220; Cladiribine; CCRIS 9374; Adenosine, 2-chloro-2'-deoxy; HSDB 7564; 2-Chloro-6-amino-9-(2-deoxy-beta-D-erythropentofuranosyl)purine; Cladribine [USAN:USP:INN:BAN]; Mavenclad (TN); NCGC00018167-03; Cladribine- Bio-X; S1199; RWJ-26251-000; Opera_ID_1191; SCHEMBL3775; CHEMBL1619; Cladribine (JAN/USP/INN); 2-chloro-2'-deoxy-adenosine; cid_20279; MLS000028484; MLS000759397; MLS001077345; MLS001424194; GTPL4799; DTXSID8022828; BDBM38920; HMS2052K13; HMS2232C23; HMS3715F17; ACT02615; AMY22140; BCP02868; ZINC3798064; Tox21_110834; Tox21_300596; NSC-05014; NSC-105014-F; AKOS015854898; AKOS015892544; AC-7591; BCP9000538; CCG-101116; CS-2057; DB00242; NC00366; NCGC00022567-05; NCGC00022567-06; NCGC00022567-07; NCGC00022567-08; NCGC00164384-01; NCGC00254518-01; 2-Chloro-2'-deoxyadenosine, antileukemic; AS-12366; BC164318; BP-25407; HY-13599; SW197746-4; D01370; AB00382963-17; AB00382963_19; 291C638; A826062; Q414030; 2-Chloro-2 inverted exclamation marka-deoxyadenosine; SR-01000003063-7; SR-01000003063-10; Cladribine, European Pharmacopoeia (EP) Reference Standard; 6-amino-2-chloro-9-(2-deoxy-beta-erythropentofuranosyl)purine; Cladribine, United States Pharmacopeia (USP) Reference Standard; 6-amino-2-chloro-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine; (2R,3S,5R)-5-(6-Amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxalan-3-ol; (2R,3S,5R)-5-(6-amino-2-chloro-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol; Cladribine for peak identification, European Pharmacopoeia (EP) Reference Standard; 2-Chloro-2'-deoxyadenosine;(2R,3S,5R)-5-(6-amino-2-chloro-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol; 24757-90-2; Leustatin; ; ; 2-Chloro-2'-deoxyadenosine; ; ; 2-CdA; ; ; NSC-105014-F; ; ; (2R,3S,5R)-5-(6-Amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:567361	DB00242	DR00087	DR1918	285.69	C10H12ClN5O3	119	338	0.8	19	3	7	2	"1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1"	C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)Cl)N)CO)O	PTOAARAWEBMLNO-KVQBGUIXSA-N
DG00888	Zalcitabine	24066	"Zalcitabine; Dideoxycytidine; 7481-89-2; 2',3'-DIDEOXYCYTIDINE; ddCyd; HIVID; Cytidine, 2',3'-dideoxy-; ddC; Zalcitibine; 4-Amino-1-((2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one; NSC 606170; Ro 24-2027/000; UNII-6L3XT8CB3I; CHEMBL853; 6L3XT8CB3I; 4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one; CHEBI:10101; MFCD00012188; NCGC00090705-08; DSSTox_CID_3747; NSC-606170; 4-AMINO-1-[(2R,5S)-5-(HYDROXYMETHYL)OXOLAN-2-YL]-1,2-DIHYDROPYRIMIDIN-2-ONE; DSSTox_RID_77182; DSSTox_GSID_23747; 2,3-dideoxycytidine; NSC606170; 4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one; SMR000058253; CCRIS 692; Hivid(TM); Hivid (TN); HSDB 7156; Interferon AD + ddC; ddC & GM-CSF; ddC & sCD4; PC-SOD & ddC; Ro-24-2027/000; DDC (DDC); BRN 0654956; Zalcitabine (JAN/USP/INN); DS-4152 & ddC; 1-(2,3-Dideoxy-beta-D-ribofuranosyl)cytosine; ddC & NP (from PHCA or HSA); SRI-7707; Zalcitabine [USAN:USP:INN:BAN]; CAS-7481-89-2; Zalcitabine- Bio-X; KS-1130; ddC & IFN.alpha.; .beta.-D-DDC; dideoxycytidine (DDC); 4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; Prestwick0_001037; Prestwick1_001037; Prestwick2_001037; Prestwick3_001037; ddC & Interferon.alpha.; 2', 3'-dideoxycytidine; bmse000712; UPCMLD-DP115; D 5782; SCHEMBL3598; TimTec1_004969; Lopac0_000360; BSPBio_001253; 3'-Azido-3'-deoxythymidine/2',3'-Dideoxycytidine; 5-25-14-00313 (Beilstein Handbook Reference); MLS000069636; MLS000759540; MLS001055363; MLS001424210; MLS006011951; SPBio_003104; BPBio1_001378; GTPL4828; ddC; ; ; 2',3'-Dideoxycytidine; DTXSID0023747; UPCMLD-DP115:001; ZINC39906; 2',3'-Dideoxycytidine & sCD4(soluble recombinant protein); AOB5609; HMS1548B19; HMS1571O15; HMS2051H18; HMS2090C12; HMS2098O15; HMS2236N08; HMS3261G21; HMS3715O15; Pharmakon1600-01502360; .beta.-D-2',3'-Dideoxycytidine; Zalcitabine, 2'3'-Dideoxycytidine; BCP13878; Tox21_113491; Tox21_201655; Tox21_303169; Tox21_500360; AC-824; BDBM50145605; Lecithinized superoxide dismutase & .beta.-D-2',3'-Dideoxycytidine; NSC759655; s1719; Sulfated polysaccharide-peptidoglycan DS-4152 & 2',3'-Dideoxycytidine; AKOS015854844; AKOS015894505; Tox21_113491_1; CCG-101050; CS-1110; DB00943; LP00360; MCULE-6071296177; NC00300; NSC-759655; SDCCGSBI-0050348.P002; 2',3'-Dideoxycytidine & Nanoparticles (from human serum albumin or polyhexylcyanoacrylate); SRI-7707-13; SRI-7707-14; SRI-7707_15; SRI-7707_17; NCGC00090705-01; NCGC00090705-02; NCGC00090705-03; NCGC00090705-05; NCGC00090705-06; NCGC00090705-07; NCGC00090705-09; NCGC00090705-10; NCGC00090705-11; NCGC00090705-13; NCGC00090705-15; NCGC00090705-24; NCGC00090705-25; NCGC00179242-01; NCGC00257202-01; NCGC00259204-01; NCGC00261045-01; BD164564; HY-17392; K278; ddC;Dideoxycytidine;2',3'-Dideoxycytidine; 2',3'-Dideoxycytidine & Interferon.alpha.; 2',3'-Dideoxycytidine, >=98% (HPLC); DB-019728; Ro-242027000; D3581; EU-0100360; Ro-24-2027000; SW197364-4; 2',3'-Dideoxycytidine, >=99.0% (HPLC); C07207; C76390; D00412; Cytidine, 2',3'-dideoxy- & Interferon.alpha.; 481D892; A838234; SR-01000075822; SR-01000736919; J-700276; Q-201941; Q2344582; SR-01000075822-1; SR-01000736919-5; Cytidine, 2',3'-dideoxy- & Colony-stimulating factor; Ro-242027000/Ro-24-2027-000; Z1550648753; Zalcitabine, United States Pharmacopeia (USP) Reference Standard; 4-Amino-1-(5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one; .beta.-D-2',3'-Dideoxycytidine & Granulocyte-macrophage colony-stimulating factor"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:10101	DB00943	DR00175	DR1724	211.22	C9H13N3O3	88.2	327	-1.3	15	2	3	2	"1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1"	C1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)N	WREGKURFCTUGRC-POYBYMJQSA-N
DG00890	Stanozolol	25249	"Stanozolol; Winstrol; Androstanazole; Androstanazol; 10418-03-8; Stromba; Stanazolol; Tevabolin; Winstrol Depot; Strombaject; Estazol; Winstroid; Winstrol V; Estanozolol; Stanozololum; WIN 14833; Anabol; UNII-4R1VB9P8V3; Androstanazolestanazol; NSC 233046; 4R1VB9P8V3; CHEBI:9249; 17-Methyl-2'H-5alpha-androst-2-eno(3,2-c)pyrazol-17beta-ol; NSC-43193; WIN-14833; (1S,3aS,3bR,5aS,10aS,10bS,12aS)-1,10a,12a-trimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol; Stanozolo [DCIT]; Androstanazole (VAN); Stanozolo; Stanozolol (1'H form); Winstrol-V; Stanozololum [INN-Latin]; Estanozolol [INN-Spanish]; (1S,2S,10S,13R,14S,17S,18S)-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icosa-4(8),5-dien-17-ol; Cyclopenta(7,8)phenanthro(2,3-c)pyrazol-1-ol, 1,2,3,3a,3b,4,5,5a,6,7,10,10a,10b,11,12,12a-hexadecahydro-1,10a,12a-trimethyl-; HSDB 3185; SR-05000001522; Stanozolol (2'H form); 17 -Methyl-5 -androstano[3,2-c]pyrazol-17 -ol; EINECS 233-894-8; NSC 43193; Stanozolol ciii; NSC-233046; Winstrol (TN); 2'H-Androst-2-eno(3,2-c)pyrazol-17-ol, 17-methyl-, (5alpha,17beta)-; Winstrol; ; ; Stanabol; 17-Methyl-5alpha-androstano(3,2-c)pyrazol-17beta-ol; 302-96-5; Stanozolol [USAN:USP:INN:BAN:JAN]; 17-beta-Hydroxy-17-alpha-methylandrostano(3,2-c)pyrazole; 17beta-Hydroxy-17alpha-methyl-androstano(3,2-c)pyrazole; 17-Methyl-pyrazolo(4',3':2,3)-5alpha-androstan-17beta-ol; 17-Methylpyrazolo(4',3':2,3)-5alpha-androstan-17beta-ol; 17beta-Hydroxy-17-methyl-5alpha-androstano(3,2-c)pyrazole; 17alpha-Methyl-17beta-hydroxy-5alpha-androstano(3,2-c)pyrazole; 2'H-5alpha-Androst-2-eno(3,2-c)pyrazol-17beta-ol, 17-methyl-; 2,3-(4',3'-Pyrazolo)-5alpha-androstan-17beta-ol, 17-methyl-; DSSTox_CID_24128; DSSTox_RID_97564; stanozolol--dea schedule iii; DSSTox_GSID_44128; SCHEMBL44099; SCHEMBL44100; Stanozolol (JAN/USP/INN); 1,2,3,3a,3b,4,5,5a,6,7,10,10a,10b,11,12,12a-Hexadecahydro-1,10a,12a-trimethylcyclopenta(7,8)-phenanthro(2,3-c)pyrazol-1-ol; MLS001424321; Stanozolol, analytical standard; CHEMBL2079587; DTXSID3044128; GTPL10369; HMS2052H11; HMS2090P03; HMS3713K06; BCP12548; HY-B0899; NSC43193; WIN14833; ZINC4097376; Tox21_113993; 1'H-Androstano(3,2-c)pyrazol-17-ol, 17-methyl-, (5-alpha,17-beta)-; AKOS005067278; Stanozolol 1.0 mg/ml in Acetonitrile; AM84316; CCG-101186; CCG-220452; CS-4363; DB06718; MCULE-6473940948; NC00436; NCGC00344550-01; (1S,3aS,3bR,5aS,10aS,10bS,12aS)-1,10a,12a-trimethyl-1,2,3,3a,3b,4,5,5a,6,7,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol; AC-16140; AC-33164; AS-35198; CPD000058878; Cyclopenta(7,8)phenanthro(2,3-c)pyrazol-1-ol, 1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydro-1,10a,12a-trimethyl-; SMR000058878; CAS-10418-03-8; C07311; D00444; 17-Methyl-5a-androstano[3,2-c]pyrazol-17b-ol; AB00443942-03; AB00443942-05; 418S038; SR-05000001522-1; SR-05000001522-2; W-108823; 17a-Methyl-17b-hydroxy-5a-androstano(3,2-c)pyrazole; 17b-Hydroxy-17-methyl-5a-androstano[3,2-c]pyrazole; 17b-Hydroxy-17a-methyl-5a-androstano[3,2-c]pyrazole; Q63409446; 17-Methyl-pyrazolo[4',3':2,3]-5a-androstan-17b-ol; Z1541662177; 17-Methyl-1'H-5alpha-androstano[3,2-c]pyrazol-17beta-ol; Stanozolol, European Pharmacopoeia (EP) Reference Standard; (5a,17b)-17-methyl-2'H-Androst-2-eno[3,2-c]pyrazol-17-ol; 2,3'-Pyrazolo)-5.alpha.-androstan-17.beta.-ol, 17-methyl-; 5alpha-Androstane-17alpha-methyl-17beta-ol-[3,2-c]pyrazole; 2'H-5a-Androst-2-eno[3,2-c]pyrazol-17b-ol, 17-methyl- (8CI); 17alpha-Methyl-17beta-hydroxy-5alpha-androst-2-eno(3,2-c)-pyrazole; Cyclopenta[7,8]phenanthro[2,3-c]pyrazole, 2'H-androst-2-eno[3,2-c]pyrazol-17-ol deriv.; (1S,2S,10S,13R,14S,17S,18S)-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-ol; 1,2,3,3a,3b,4,5,5a,6,7,10,10a,10b,11,12,12a-hexadecahydro-1,10a,12a-trimethyl-Cyclopenta[7,8]phenanthro[2,3-c]pyrazol-1-ol; 17966-55-1; Cyclopenta[7,3-c]pyrazol-1-ol, 1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydro-1,10a,12a-trimethyl-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9249	DB06718	.	.	328.5	C21H32N2O	48.9	538	4.5	24	2	2	0	"1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC5=C(C4)NN=C5)C	LKAJKIOFIWVMDJ-IYRCEVNGSA-N
DG00895	Danazol	28417	"Danazol; Danocrine; 17230-88-5; Chronogyn; Winobanin; Danol; Cyclomen; Danazolum; Danzol; Ladogal; Danatrol; Danazol, USP; UNII-N29QWW3BUO; WIN-17757; WIN 17,757; Danazole; N29QWW3BUO; WIN 17757; Danovaol; CHEBI:4315; (1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol; Danokrin; NCGC00164400-01; Danogen; Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol, (17alpha)-; DSSTox_CID_2880; Danazolum [INN-Latin]; NSC 270916; DSSTox_RID_76772; DSSTox_GSID_22880; Bonzol; Danocrine (TN); SMR000058321; CCRIS 6747; EINECS 241-270-1; Vasaloc; 17-alpha-Pregn-4-en-20-yno(2,3-d)isoxazol-17-ol; Optina; Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol, (17alpha)-; 17-alpha-2,4-Pregnadien-20-yno(2,3-d)isoxazol-17-ol; 17alpha-Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol; NSC270916; NSC-270916; Win 17, 757; Prestwick_150; CAS-17230-88-5; Danazol [USAN:USP:INN:BAN:JAN]; ethynyl(dimethyl)[ ]ol; 2,3-Isoxazolethisterone; Prestwick0_000105; Prestwick1_000105; Prestwick2_000105; Prestwick3_000105; CHEMBL1479; SCHEMBL21107; BSPBio_000090; (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icosa-4(8),5,9-trien-17-ol; MLS001066617; MLS001306473; Danazol (JP17/USP/INN); SPBio_002029; BPBio1_000100; GTPL6942; DTXSID2022880; 2,4,17alpha-Pregnadien-20-yno[2,3-d]-isoxa-zol-17-ol; Win-17,757; HMS1568E12; HMS2090A22; HMS2095E12; HMS2231M08; HMS3259M10; HMS3712E12; Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol,(17alpha)-; [1,2]oxazolo[4',5':2,3]-17alpha-pregn-4-en-20-yn-17-ol; 17.Alpha.-Pregna-2, {4-dien-20-yno[2,3-d]isoxazol-17-ol}; BCP11914; HY-B1029; ZINC3881958; Tox21_112114; Tox21_301940; BDBM50423541; MFCD00056838; s9506; AKOS015961192; Tox21_112114_1; AC-6836; CCG-220105; CS-4547; Danazol 100 microg/mL in Acetonitrile; DB01406; MCULE-5533294331; NC00557; NCGC00179665-01; NCGC00179665-02; NCGC00179665-04; NCGC00255335-01; (1R,3aS,3bR,10aR,10bS,12aS)-1-Ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d][1,2]oxazol-1-ol; 1-Ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol; AS-13035; H066; C06938; D00289; 230D885; Q419652; SR-01000760722; SR-05000000445; SR-01000760722-2; SR-05000000445-2; W-107864; 17a-Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol; BRD-K48970916-001-03-0; (17a)-Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol; 17a-Pregna-2,4-dien-20-yne-[2,3-d]isoxazole-17b-ol; 1-(P-TOSYL)-3,4,4-TRIMETHYL-2-IMIDAZOLINIUMIODIDE; 17 alpha-pregna-2,4-dien-20-yno[2,3-D] isoxazol-17 beta-ol; Pregna-2, {4-dien-20-yno[2,3-d]isoxazol-17-ol,} (17.alpha.)-; Pregna-2,4-diene-20-yno[2,3-d ]isoxazol-17-ol, (17.alpha.); (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol; 1-ethynyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-10a,12a-dimethyl-1H-Cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol; 1H-Cyclopenta[7,8]phenanthro[3,2-d]isoxazole- pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol deriv."	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4315	DB01406	.	DR2401	337.5	C22H27NO2	46.3	677	3.8	25	1	3	1	"1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NO5	POZRVZJJTULAOH-LHZXLZLDSA-N
DG00898	Picrotoxin	31304	"PICROTOXIN; Cocculin; Cocculus; Oriental berry; Indian berry; Fish berry; Coques du levant; Picrotoxinum; 124-87-8; Picrotoxine; Picrotox; Picrotin, compd. with picrotoxinin (1:1); UNII-ZLT174DL7U; Coques du levant [French]; Caswell No. 663A; Picrotoxinin - picrotin; Picrotoxin [NF]; HSDB 6385; Picrotoxinin, compd. with picrotin (1:1); Picrotin, compound with picrotoxinin (1:1); ZLT174DL7U; EINECS 204-716-6; EPA Pesticide Chemical Code 002301; NSC 403139; AI3-17689; GTPL4051; SCHEMBL16319990; DB00466; BP166191; Q416602; 3,6-Methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1aR,2aR,3S,6R,6aS,8aS,8bR,9S)-, compd. with (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-3,6-methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione (1:1)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00466	DR00640	.	602.6	C30H34O13	191	1290	.	43	3	13	2	"1S/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3/t5-,6+,7 ,8 ,9-,13-,14-,15+;6 ,7-,8 ,9 ,10+,13+,14+,15-/m10/s1"	CC(=C)[C@@H]1C2[C@@H]3[C@@]4([C@](C1C(=O)O2)(CC5[C@]4(O5)C(=O)O3)O)C.C[C@@]12[C@H]3C4[C@H](C([C@@]1(C[C@@H]5[C@]2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O	VJKUPQSHOVKBCO-ZTYBEOBUSA-N
DG00902	Penfluridol	33630	"PENFLURIDOL; 26864-56-2; 1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(trifluoromethyl)phenyl)piperidin-4-ol; Semap; TLP-607; McN-JR-16,341; 1-[4,4-Bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperidinol; R-16341; 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol; UNII-25TLU22Q8H; R 16341; CHEMBL47050; 25TLU22Q8H; MFCD00866714; 4-Piperidinol, 1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(trifluoromethyl)phenyl)-; 4-Piperidinol, 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-; NSC-759179; NCGC00165865-01; DSSTox_CID_28947; DSSTox_RID_83212; DSSTox_GSID_49021; C28H27ClF5NO; R 16,341; Penfluridolum; Penfluridolum [INN-Latin]; CAS-26864-56-2; EINECS 248-074-5; BRN 1558826; Micefal; Penfluridol [USAN:INN:BAN]; Semap (TN); Penfluridol (USAN/INN); R16341; SCHEMBL93939; 1-(4,4-Bis(p-fluorophenyl)butyl)-4-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-4-piperidinol; 5-21-02-00409 (Beilstein Handbook Reference); MLS004774011; DTXSID5049021; CHEBI:92278; AOB5341; MCN-JR-16341; HMS3264L13; HMS3652G22; Pharmakon1600-01505691; ACT03196; BCP03695; HY-B1077; ZINC4217252; Tox21_113546; BDBM50026066; NSC759179; PDSP1_000470; PDSP2_000468; AKOS005065828; Tox21_113546_1; BCP9000014; CCG-269878; CS-4633; DB13791; KS-5104; NSC 759179; Penfluridol, >=97% (HPLC), powder; 1-[4,4-Bis(4-fluorophenyl)butyl]-4-[4-chloro-3(trifluoromethyl)phenyl]-4-piperidinol; 4-Piperidinol,1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-; NCGC00165865-02; NCGC00165865-03; 4-Piperidinol, 1-(4,4-bis(p-fluorophenyl)butyl)-4-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-; 4-Piperidinol, 4-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-1-(4,4-bis(p-fluorophenyl)butyl)-; AC-15413; SMR003500704; BCP0726000159; SBI-0206898.P001; DB-017683; FT-0645031; P2076; S4151; SW219540-1; D02630; AB01566919_01; 864P562; A818637; L001145; SR-05000001779; Q2149707; SR-05000001779-1; W-107147; BRD-K15409150-001-01-7; 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloranyl-3-(trifluoromethyl)phenyl]piperidin-4-ol; 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-piperidin-4-ol; 1-[4,4-Bis-(4-fluoro-phenyl)-butyl]-4-(4-chloro-3-trifluoromethyl-phenyl)-piperidin-4-ol; 1-[4,4-Bis(p-fluorophenyl)butyl]-4-(4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-4-piperidinol; 1-[4,4-Bis(p-flurophenyl)butyl]-4-(4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-4-piperidinol; 4-Piperidinol, 4-(4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-1-(4,4-bis(p-fluorophenyl)butyl)-; PENFLURIDOL1-[4,4-Bis-(4-fluoro-phenyl)-butyl]-4-(4-chloro-3-trifluoromethyl-phenyl)-piperidin-4-ol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:92278	.	.	.	524	C28H27ClF5NO	23.5	647	7.3	36	1	7	7	"1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2"	C1CN(CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F	MDLAAYDRRZXJIF-UHFFFAOYSA-N
DG00908	Vindesine	40839	"Vindesine; 53643-48-4; vindesine sulfate; Desacetylvinblastine amide; Vincaleukoblastine, 3-(aminocarbonyl)-O4-deacetyl-3-de(methoxycarbonyl)-; CHEBI:36373; Desacetylvinblastine amide sulfate; C43H55N5O7; Vindesine (USAN/INN); SCHEMBL4420; methyl (5S,7S,9S)-9-[(2beta,3beta,4beta,5alpha,12beta,19alpha)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate; CHEMBL219146; DTXSID6023739; HMS2090E15; 3-carbamoyl-O(4)-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine; EX-A3837; ZINC8214470; STL565153; 3-(aminocarbonyl)-O(4)-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine; AKOS037623357; MCULE-7368625095; methyl (5S,7S,9S)-9-[(2b,3b,4b,5a,12b,19a)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate; D06304; AB00698294-03; AB01275494-01; hanoazacycloundecino[5,4-b]indole-9-carboxylate; 643V484; Q416660; Q-100607; BRD-K59753975-065-01-3; methyl (13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5,7,9-tetraene-13-carboxylate; methyl (13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate; methyl (5S,7S,9S)-9-[(2beta,3beta,4beta,5alpha,12beta,19alpha)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-met"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:36373	DB00309	DR00397	DR1693	753.9	C43H55N5O7	165	1570	2.7	55	5	10	7	"1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1"	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O	HHJUWIANJFBDHT-KOTLKJBCSA-N
DG00909	Acarbose	41774	"Acarbose; 56180-94-0; Glucobay; Precose; Acarbosum; Prandase; CHEBI:2376; Bay g 5421; MFCD00869592; BAY-g 5421; C25H43NO18; 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose; SMR000466376; SR-01000759407; Glucobay;; Prandase;; Precose;; NSC-758915; Acarbose,(S); Precose (TN); Acarbose (JAN/USAN/INN); MLS000759506; MLS001424056; MLS006011898; SPECTRUM1505172; CHEMBL404271; SCHEMBL5316305; CHEMBL3734896; BDBM23406; HMS2051F03; HMS2093I22; HMS2236P06; Pharmakon1600-01505172; C25H43NO18;; BBL030515; BDBM50180587; NSC758915; STK801930; AKOS005622515; CCG-100913; CCG-213345; MCULE-2053937515; MD-0230; NC00163; NCGC00160515-01; SBI-0206777.P001; C06802; D00216; J10300; AB00639959-06; AB00639959_08; Abamectin, Antibiotic for Culture Media Use Only; 180A940; Q-200574; SR-01000759407-4; SR-01000759407-5; SR-01000759407-6; xan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol; BRD-A16444946-001-07-1; (3R,4R,5S,6R)-5-(((2R,3R,4R,5S,6R)-5-(((2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(((1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl)amino)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4-triol; (3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)o; (3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triol; 4',6'-Dideoxy-4'-([1S]-[1,4,6/5]-4,5,6-trihydroxy-3-hydroxymethyl-2-yclohexenylamino)-maltotriose; 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose; Precose (TN);; WURCS=2.0/3,3,2/[a2122h-1x_1-5][a2122h-1a_1-5][a2122m-1a_1-5_4*NC^SC^SC^SC^RCCO/7=^ZC$3/6O/5O/4O]/1-2-3/a4-b1_b4-c1"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2376	DB00284	DR00978	.	645.6	C25H43NO18	321	962	-8.5	44	14	19	9	"1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23 ,24-,25-/m1/s1"	C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO	XUFXOAAUWZOOIT-UGEKTDRHSA-N
DG00915	Nicorandil	47528	"NICORANDIL; 65141-46-0; Ikorel; 2-Nicotinamidoethyl nitrate; SG-75; Dancor; Sigmart; Nicorandilum; Adancor; 2-(nicotinamido)ethyl nitrate; 2-(pyridine-3-carbonylamino)ethyl nitrate; SG 75; N-(2-Hydroxyethyl)nicotinamide nitrate; N-(2-Hydroxyethyl)nicotinamide nitrate (ester); Nicorandil (Ikorel); UNII-260456HAM0; CHEBI:31905; N-[2-(NITROOXY)ETHYL]-3-PYRIDINECARBOXAMIDE; 3-PYRIDINECARBOXAMIDE, N-[2-(NITROOXY)ETHYL]-; MFCD00186520; 260456HAM0; NCGC00025357-01; 2-(PYRIDIN-3-YLFORMAMIDO)ETHYL NITRATE; 3-Pyridinecarboxamide, N-(2-(nitrooxy)ethyl)-; DSSTox_CID_25692; DSSTox_RID_81064; DSSTox_GSID_45692; Nicorandilum [INN-Latin]; 2-[(PYRIDIN-3-YLCARBONYL)AMINO]ETHYL NITRATE; 2-(Nicotinamido)ethyl nitrat; SMR000466365; Sigmart (TN); CAS-65141-46-0; PERISALOL; n-(2-(nitrooxy)ethyl)-3-pyridinecarboxamide; SR-01000597534; EINECS 265-514-1; BRN 0481451; Nicorandilo; 3-Pyridinecarboxamide, N-(2-(nitroxy)ethyl)-; Nicorandil [USAN:INN:BAN:JAN]; Nicorandil- Bio-X; 2-(Pyridine-3-carboxamido)ethyl Nitrate; CPD000466365; RP-46417; n-(2-hydroxyethyl)nicotinamide nitrate ester; N-[2-(Nitrooxy)ethyl]pyridine-3-carboxamide; SCHEMBL34547; MLS000759488; MLS001424162; MLS002222323; MLS006010701; CHEMBL284906; GTPL2411; DTXSID8045692; Nicorandil (JP17/USAN/INN); HMS2051N16; HMS2089L12; HMS2095E14; HMS2232A06; HMS3268L19; HMS3371N18; HMS3393N16; HMS3413G17; HMS3655P05; HMS3677G17; HMS3712E14; BCP09434; HY-B0341; ZINC1533102; Tox21_110968; BDBM50247908; s1971; STL445540; AKOS001589705; AKOS015855406; AKOS025149378; Tox21_110968_1; AB04467; AC-4690; CCG-101045; DB09220; HS-0049; MCULE-6145684901; NC00295; NCGC00025357-02; NCGC00025357-04; 2-(pyridine-3-carbylamino) ethyl nitrate; BN164649; H924; FT-0602677; N0837; SW197675-3; D01810; J10427; T72780; AB00639978-08; AB00639978-09; AB00639978_10; AB00639978_11; A834984; Q862989; SR-01000597534-1; SR-01000597534-5; BRD-K97752965-001-01-6; F0005-2298"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31905	DB09220	DR01017	.	211.17	C8H9N3O4	97	228	0.8	15	1	5	4	"1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)"	C1=CC(=CN=C1)C(=O)NCCO[N+](=O)[O-]	LBHIOVVIQHSOQN-UHFFFAOYSA-N
DG00920	Lovastatin	53232	"Lovastatin; 75330-75-5; mevinolin; Mevacor; MK-803; Altoprev; Lovalord; Nergadan; Artein; Monacolin K; 6alpha-Methylcompactin; Lovalip; Lovastatine [French]; Lovastatinum [Latin]; Lovastatina [Spanish]; 6-alpha-Methylcompactin; Mevinacor; Altocor; Mevlor; Sivlor; Hipovastin; Lovasterol; Cholestra; Closterol; Colevix; Hipolip; Lestatin; Lipivas; Lipofren; Lovastin; Lozutin; Paschol; Rodatin; Rovacor; Tecnolip; Teroltrat; Belvas; Lipdip; Taucor; UNII-9LHU78OQFD; MLS000069585; MSD 803; 9LHU78OQFD; [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate; MK 803; 2beta,6alpha-Dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone; SMR000058779; (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate; (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate; Lovastatine; CHEBI:40303; L-154803; MFCD00072164; Lovastatin (Mevacor); NSC-758662; (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate; HSDB 6534; NCGC00023509-03; Lovastatina; Lovastatinum; C24H36O5; DSSTox_CID_784; DSSTox_RID_75788; DSSTox_GSID_20784; butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-; Liposcler; 6 alpha-Methylcompactin; Rextat; Monakolin K; (1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (S)-2-methylbutanoate; (S)-(1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate; Mevacor (TN); 6.alpha.-Methylcompactin; CHEMBL503; Lovastatin & Primycin; Lovastatin (USP/INN); SR-05000001880; (1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-2-Methylbutanoic acid 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester; (S)-2-Methylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one; 1,2,6,7,8,8a-Hexahydro-beta,delta-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutyoxy)-1-naphthaleneheptanoic acid delta-lactone; BRN 3631989; Mevinolin from Aspergillus sp.; CCRIS 8092; 1cqp; Lovastatin,(S); ML-530B; Lovastatin [USAN:USP:INN:BAN]; (+)-mevinolin; (S)-((1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) 2-methylbutanoate; [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate; Lovastatin- Bio-X; Prestwick_819; CAS-75330-75-5; Lovastatin [USAN]; Mevinolin (lovastatin); Lovastatin (Mevinolin); Opera_ID_1578; Prestwick0_000516; Prestwick1_000516; Prestwick2_000516; Prestwick3_000516; Spectrum3_001873; Spectrum5_001294; Lovastatin (MK-803); EC 616-212-7; SCHEMBL3136; US9115116, lovastatin; BIDD:PXR0113; BSPBio_000471; BSPBio_001265; BSPBio_003346; Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-; cid_53232; MLS001055358; MLS006011867; US9353061, Lovastatina; BIDD:GT0749; DivK1c_001032; SPECTRUM1503977; SPBio_002392; BPBio1_000519; GTPL2739; MEGxm0_000398; DTXSID5020784; SCHEMBL14227102; ACon0_000534; ACon1_000390; BDBM34168; HMS503O05; KBio1_001032; KBio3_002848; AOB5269; C10AA02; Simvastatin impurity, lovastatin-; NINDS_001032; HMS1569H13; HMS1792O07; HMS1923O13; HMS1990O07; HMS2089M06; HMS2093O03; HMS2096H13; HMS2236F07; HMS3039N16; HMS3259F10; HMS3268C03; HMS3403O07; HMS3412H19; HMS3676H19; HMS3713H13; HMS3884B03; Pharmakon1600-01503977; 2-Methyl-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester butanoic acid; ACT02620; ALBB-027272; Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-((2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (2S)-; HY-N0504; MK-803; LOVALIP; MEVACOR; ZINC3812841; Tox21_110888; Tox21_201475; Tox21_300268; BBL024473; CCG-39627; NSC633781; NSC758662; NSC779704; s2061; STK801953; AKOS005267139; Tox21_110888_1; CS-1990; DB00227; KS-1082; MCULE-4740518260; MCULE-7087866108; Mevinolin from Aspergillus sp., powder; NC00713; NSC 758662; NSC-633781; NSC-779704; IDI1_001032; NCGC00023509-04; NCGC00023509-05; NCGC00023509-06; NCGC00023509-07; NCGC00023509-08; NCGC00023509-09; NCGC00023509-10; NCGC00023509-11; NCGC00023509-13; NCGC00023509-14; NCGC00023509-16; NCGC00254157-01; NCGC00259026-01; 74133-25-8; AC-13961; BL164644; Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (2S)-; G226; SMR000673570; SBI-0051881.P002; L0214; N1632; EN300-52515; C07074; D00359; J10136; AB00052400-17; AB00052400_18; AB00052400_19; Mevinolin from Aspergillus sp., >=98% (HPLC); 330L755; A838030; A838383; Q417740; SR-01000000123; SR-01000000123-3; SR-05000001880-1; SR-05000001880-2; BRD-K09416995-001-06-8; BRD-K09416995-001-21-7; Z1258578375; (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-8-(2-((4R,6R)-4-hydroxy-2-oxo-2H-pyran-6-yl)ethyl)-3,7-dimethylnaphtyl(S)-2-methylbutyrat; (2S)-(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl-2-methyl butanoate; (2S)-2-Methylbutanoic acid (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester; (2S)-2-methylbutanoic acid [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester; (S)-((1S,3R,7S,8S,8AR)-8-(2-((2R,4R)-4-HYDROXY-6-OXO-TETRAHYDRO-2H-PYRAN-2-YL)ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL) 2-METHYLBUTANOATE; (S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-((3R,5R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl ester; [(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate; [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-Hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate; 1S,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate; 8-[2-(4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthale; Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-- oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:40303	DB00227	DR00410	DR0986	404.5	C24H36O5	72.8	666	4.3	29	1	5	7	"1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1"	CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C	PCZOHLXUXFIOCF-BXMDZJJMSA-N
DG00922	Cabergoline	54746	"Cabergoline; 81409-90-7; Dostinex; Cabaser; Cabergolinum [Latin]; Cabergolina [Spanish]; Cabergolinum; Cabergolina; FCE-21336; FCE 21336; UNII-LL60K9J05T; C26H37N5O2; 1-((6-Allylergolin-8beta-yl)carbonyl)-1-(3-(dimethylamino)propyl)-3-ethylurea; Cabaseril; CHEBI:3286; LL60K9J05T; MFCD00867887; DSSTox_CID_2719; 1-[(6-allylergoline-8beta-yl)carbonyl]-1-[3-(dimethylamino)propyl]-3-ethylurea; 1-ethyl-3-(3'-dimethylamionpropyl)-2-(6'-allylergoline-8'beta-carbonyl)urea; (8R)-6-allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)ergoline-8-carboxamide; DSSTox_RID_76698; DSSTox_GSID_22719; (6aR,9R,10aR)-7-allyl-N-(3-(dimethylamino)propyl)-N-(ethylcarbamoyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide; (8beta)-N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-6-(2-propenyl)-ergoline-8-carboxamide; Sogilen; Dostinex (TN); 1-[3-(dimethylamino)propyl]-3-ethyl-1-{[(2R,4R,7R)-6-(prop-2-en-1-yl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraen-4-yl]carbonyl}urea; Cabaser (TN); CAS-81409-90-7; SR-05000001493; BRN 6020775; Caberlin; Velactis; NCGC00167821-01; Cabergoline [USAN:USP:INN:BAN]; CG-101; GTPL37; SCHEMBL42292; (8beta)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-6-(prop-2-en-1-yl)ergoline-8-carboxamide; BIDD:GT0775; Cabergoline (JAN/USP/INN); CHEMBL1201087; DTXSID6022719; Cabergoline, >=98% (HPLC); HMS2090A09; HMS3886H05; ZINC3800008; Tox21_112589; BDBM50426497; s5842; 1-Ethyl-3-(3'-dimethylaminopropyl)-3-(6'-allylergoline-8'beta-carbonyl)urea; AKOS015961587; Tox21_112589_1; DB00248; FCE-21336FCE-21336; NCGC00344544-01; (8beta)-N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-6-prop-2-en-1-ylergoline-8-carboxamide; AC-26126; Ergoline-8-carboxamide, N-(3-(dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-(2-propenyl)-, (8-beta)-; Ergoline-8beta-carboxamide, N-(3-(dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-(2-propenyl)-; HY-15296; K450; C08187; D00987; F17353; AB01275484-01; 409C907; Q423308; SR-05000001493-1; SR-05000001493-2; BRD-K86882815-001-01-6; Cabergoline, European Pharmacopoeia (EP) Reference Standard; Cabergoline, United States Pharmacopeia (USP) Reference Standard; ETHYL4-METHYL-2-PYRIDIN-3-YL-1,3-THIAZOLE-5-CARBOXYLATE; 1-[(6-Allylergoline-8beta-yl)carbonyl]-1-[3-(dimethylamino)-propyl]-3-ethylurea; 6-allyl-N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-ergoline-8beta-carboxamide; N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-6-allyl-ergoline-8beta-carboxamide; (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide; (9R,10aR)-7-allyl-N-(3-(dimethylamino)propyl)-N-(ethylcarbamoyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3286	DB00248	DR00069	DR0253	451.6	C26H37N5O2	71.7	713	3.4	33	2	4	8	"1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1"	CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)CC=C	KORNTPPJEAJQIU-KJXAQDMKSA-N
DG00923	Bambuterol	54766	"Bambuterol; 81732-65-2; Bambec; Bambuterolum; CHEBI:553827; [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate; (+/-)-Bambuterol;KWD-2183; (+-)-5-(2-(tert-Butylamino)-1-hydroxyethyl)-m-phenylene bis(dimethylcarbamate); Bambuterolum [Latin]; Oxeol; 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diyl bis(dimethylcarbamate); Bambuterol (INN); terbutaline bisdimethylcarbamate; Bambuterol [INN:BAN]; terbutaline bis(dimethylcarbamate); KWD-2183; Prestwick0_000361; Prestwick1_000361; Prestwick2_000361; Prestwick3_000361; SCHEMBL4431; BSPBio_000481; MLS002153785; SPBio_002402; BPBio1_000531; CHEMBL521589; GTPL6601; DTXSID5048550; HMS2089J18; HMS2230O15; HMS3373N13; BCP21793; BDBM50235800; STK643808; AKOS005574764; CS-3157; DB01408; MCULE-5915665286; ( inverted exclamation markA)-Bambutero; ( inverted exclamation markA)-Bambuterol; NCGC00179546-01; NCGC00179546-02; H726; HY-17501; SMR001233168; SBI-0207028.P001; FT-0602901; D07377; 732B652; A840189; L004435; Q3633651; SR-05000001470-1; BRD-A17462676-003-03-3; BRD-A17462676-003-06-6; (+/-)-5-(2-(tert-butylamino)-1-hydroxyethyl)-m-phenylene bis(dimethylcarbamate); (RS)-5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diyl bis(dimethylcarbamate); 5-(2-(tert-butylamino)-1-hydroxyethyl)-1,3-phenylene bis(dimethylcarbamate); [3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate; N,N-dimethylcarbamic acid [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[dimethylamino(oxo)methoxy]phenyl] ester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:553827	DB01408	.	.	367.4	C18H29N3O5	91.3	446	1.2	26	2	6	8	"1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3"	CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O	ANZXOIAKUNOVQU-UHFFFAOYSA-N
DG00927	Gardiquimod	44592366	"Gardiquimod; 1020412-43-4; UNII-Y3W4QVW5BY; Y3W4QVW5BY; 1-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol; CHEMBL1085742; 1-{4-amino-2-[(ethylamino)methyl]-1H-imidazo[4,5-c]quinolin-1-yl}-2-methylpropan-2-ol; 1-(4-amino-2-((ethylamino)methyl)-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol; 1-yl]-2-methylpropan-2-ol; SCHEMBL1256396; BCP30187; EX-A5848; VQB41243; BDBM50320067; ZINC40897136; NCGC00387769-01; NCGC00387769-02; NCGC00387769-04; AS-82322; HY-103697; CS-0032943; J3.515.101J; J-000553; 1-[4-Amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-; 1-(4-amino-2-ethylaminomethylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol; 1-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-propan-2-ol; 1H-Imidazo(4,5-C)quinoline-1-ethanol, 4-amino-2-((ethylamino)methyl)-alpha,alpha-dimethyl-; 4-Amino-2-((ethylamino)methyl)-alpha,alpha-dimethyl-1H-imidazo(4,5-C)quinoline-1-ethanol; 9K3"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	313.4	C17H23N5O	89	404	1	23	3	5	5	"1S/C17H23N5O/c1-4-19-9-13-21-14-15(22(13)10-17(2,3)23)11-7-5-6-8-12(11)20-16(14)18/h5-8,19,23H,4,9-10H2,1-3H3,(H2,18,20)"	CCNCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N	FHJATBIERQTCTN-UHFFFAOYSA-N
DG00928	Imiquimod	57469	"IMIQUIMOD; 99011-02-6; Aldara; Zyclara; 1-isobutyl-1H-imidazo[4,5-c]quinolin-4-amine; 1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine; Beselna; 4-Amino-1-isobutyl-1H-imidazo[4,5-c]quinoline; R 837; 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine; 4-Amino-1-isobutyl-1H-imidazo(4,5-c)quinoline; R-837; 9050-31-1; S-26308; C14H16N4; UNII-P1QW714R7M; MFCD00866946; CHEMBL1282; 1-isobutylimidazo[4,5-c]quinolin-4-amine; P1QW714R7M; 1H-Imidazo[4,5-c]quinolin-4-amine, 1-(2-methylpropyl)-; CHEBI:36704; S26308; NSC-369100; NSC-759651; 1H-Imidazo(4,5-c)quinolin-4-amine, 1-(2-methylpropyl)-; NCGC00070736-02; Zartra; Imiquimod acetate; DSSTox_CID_21047; DSSTox_RID_79617; DSSTox_GSID_41047; Aldara (TN); CAS-99011-02-6; S 26308; SR-01000611320; Imiquimodum; Imiquimod [USAN:INN:BAN]; Vyloma; MTD-39; 1-(2-Methylpropyl)-1H-imidazole[4,5-c]quinoline-4-amine; HSDB 8129; TMX 101; TMX-101; Aldara; ; ; Beselna; Imiquimod,(S); Imiquimod- Bio-X; 6T0; Imiquimod - Aldara; Zyclara (TN); DZ-2636; (non-labelled)Imiquimod-d9; Imiquimod (JAN/USP/INN); SCHEMBL26136; MLS000083577; BIDD:GT0859; GTPL5003; DTXSID7041047; AOB6939; HMS2090M14; HMS2232G07; HMS3373B13; HMS3715N19; HMS3747A13; Pharmakon1600-01502351; BCP05151; HY-B0180; Tox21_110985; AC-529; BBL010772; BDBM50240849; NSC369100; NSC759651; NSC811538; s1211; STK583860; ZINC19632912; Imiquimod - CAS 99011-02-6; Imiquimod, >=98% (HPLC), solid; AKOS005507352; Tox21_110985_1; 1H-Imidazo[4, 1-(2-methylpropyl)-; CCG-208015; CS-2058; DB00724; KS-5218; MCULE-9421195760; NSC 369100; NSC 741062; NSC 759651; NSC-811538; YH44175; (Hydroxypropyl)methyl cellulose phthalate; Imiquimod 100 microg/mL in Acetonitrile; NCGC00070736-03; NCGC00070736-04; BI164576; SMR000048307; SY017571; FT-0602727; I0747; D02500; J10325; 1-isobutyl-1H-imidazo [4,5-c]quinolin-4-amine; 1-isobutyl-1H-imidazo[4,5-c]quinoline-4-amine; AB00399298-05; AB00399298-06; AB00399298-07; AB00399298_08; AB00399298_09; 011I026; 1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-ylamine; A845945; Q423417; 1-(2-methylpropyl)-4-imidazo[4,5-c]quinolinamine; SR-01000611320-2; SR-01000611320-3; BRD-K26657438-001-01-2; BRD-K26657438-001-13-7; 1-(2-methylpropyl)-1Himidazo[4,5-c]quinolin-4-amine; 1-(2-methylpropyl)-1H-imidazo[4,5-c]-quinolin-4-amine; Imiquimod, United States Pharmacopeia (USP) Reference Standard"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:36704	DB00724	.	DR0864	240.3	C14H16N4	56.7	294	2.6	18	1	3	2	"1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)"	CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N	DOUYETYNHWVLEO-UHFFFAOYSA-N
DG00929	Resiquimod	159603	"Resiquimod; 144875-48-9; 1-(4-Amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol; R-848; 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol; R 848; UNII-V3DMU7PVXF; Resiquimod (R-848); R848; V3DMU7PVXF; MFCD00937759; S-28463; CHEMBL383322; CHEBI:36706; 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol; s28463; R848;S28463; Resiquimod [INN]; alpha-dimethyl-1H-imidazo(4,5-c)quinoline-1-ethanol; 1-(4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol.; 2252319-44-9; R848 compound; S 28463; 1H-Imidazo(4,5-c)quinoline-1-ethanol, 4-amino-2-(ethoxymethyl)-alpha,alpha-dimethyl-; 1H-Imidazo[4,5-c]quinoline-1-ethanol, 4-amino-2-(ethoxymethyl)-alpha,alpha-dimethyl-; 4-Amino-2-(ethoxymethyl)-alpha,alpha-dimethyl-1H-imidazo(4,5-c)quinoline-1-ethanol; 4-Amino-2-(ethoxymethyl)-alpha,alpha-dimethyl-1H-Imidazo[4,5-c]quinoline-1-ethanol; ResiquimodR848; VML-600; RX8; R848; Resiquimod; SCHEMBL34159; MLS006010212; GTPL5051; DTXSID7040603; Resiquimod, >=98% (HPLC); 4-Amino-2-(ethoxymethyl)-alpha; HMS3740O09; BCP09103; EX-A1879; BDBM50241029; s8133; ZINC28572103; AKOS016003509; CCG-267635; CD11301; CS-1706; DB06530; SB17111; 1-(4-Amino-2-ethoxymethyl-imidazo[4,5-c]quinolin-1-yl)-2-methyl-propan-2-ol; NCGC00370784-01; NCGC00370784-05; AS-30885; CD-11301; HY-13740; SMR002530531; SY107476; FT-0763049; R0197; Z4166; Resiquimod, VML-600, R-848, S-28463; A856222; Q426054; SR-01000944954; J-008020; SR-01000944954-1; 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-propan-2-ol; 4-amino-2-ethoxymethyl-alpha,alpha-dimethyl-1H-imidazo[4,5-c]quinoline-1-ethanol; 4-amino-alpha,alpha-dimethyl-2-ethoxymethyl-1H-imidazo[4,5-c]quinolin-1-ethanol; 4-Amino-alpha,alpha-dimethyl-2-ethoxymethyl-1H-imidazo[4,5-c]quinoline-1-ethanol"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:36706	.	.	.	314.4	C17H22N4O2	86.2	406	1.3	23	2	5	5	"1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)"	CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N	BXNMTOQRYBFHNZ-UHFFFAOYSA-N
DG00939	Emtricitabine	60877	"Emtricitabine; 143491-57-0; Emtriva; Coviracil; (-)-FTC; 4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one; 143491-54-7; 524W91; BW-524W91; Racivir; 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; BW524W91; (-)-2'-Deoxy-5-fluoro-3'-thiacytidine; UNII-G70B4ETF4S; BW 524W91; FTC; (-)-beta-2',3'-dideoxy-5-fluoro-3'-thiacytidine; CHEBI:31536; FTC-(-); (2R-cis)-4-Amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone; 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one; 5-Fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine; G70B4ETF4S; 145213-48-5; Emtritabine; BW1592; MFCD00870151; (-)-cis-4-amino-5-fluoro-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one; 2',3'-Dideoxy-5-fluoro-3'-thiacytidine; NCGC00164564-01; (-)-(2R,5S)-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine; PSI 5004; PSI-5004; Coviracil(TM); DRG-0208; 4-Amino-5-fluoro-1-((2R,5S)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one; rel-4-Amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone; Emtriva(TM); 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, rel-; 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, rel-; Emtricitabine (Emtriva); SMR002533604; BW 1592; 2',3',5-FTC; HSDB 7337; 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1,2-dihydropyrimidin-2-one; FTC, (-)-; Emtricitabine [USAN:INN]; (-)-.beta.-L-FTC; Emtricitabinum; 2(1h)-pyrimidinone,4-amino-5-fluoro-1-((2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-; 2(1H)-Pyrimidinone,4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-; (-)-emtricitabine; Emtricitabine- Bio-X; Emtricitabine, (-)-; CHEMBL885; 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, cis-; DSSTox_CID_20129; DSSTox_RID_79445; DSSTox_GSID_40129; SCHEMBL39708; MLS003882429; MLS006011556; MLS006011987; DTXSID0040129; GTPL11244; EX-A150; HMS2089I05; HMS3713L12; ZINC3629271; Tox21_112193; ((-))-FTC; BDBM50107843; CS1125; FTC-((-)); NSC804863; s1704; AKOS015853098; AKOS015894950; AM84393; CCG-220615; CS-1370; DB00879; MCULE-7141046266; NSC-804863; 2',3'-Dideoxy-3-thia-5-fluorocytidine; NCGC00164564-06; NCGC00164564-09; NCGC00164564-10; 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-cis)-; 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, cis-(+-)-; AS-14099; BE165946; HY-17427; CAS-143491-57-0; E1007; Emtricitabine 100 microg/mL in Acetonitrile; SW220172-1; D01199; D72669; ent-Emtricitabine; Emtricitabine IP Impurity D; AB01275429-01; 491E570; Q422604; 524-W-91; W-201247; W-201248; Z1739256297; UNII-ULS8902U4O component XQSPYNMVSIKCOC-NTSWFWBYSA-N; .beta.-L-(-)-(2R,5S)-5-Fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine; 4-Amino-5-fluoro-1-[(2R,5S)-2-hydroxymethyl)-1,3-oxathiolan-5-yl]-2-(1H-pyrimidinone; 4-Amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone; (+)-2'-Deoxy-3'-thia-5-fluorocytidine; (2S-cis)-4-Amino-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone; 5-FLUORO-(-)-L-2',3'-DIDEOXY-3'-THIACYTIDINE; (-)-BETA-2',3'-DIDEOXY-5-FLUORO-3'-THIACYTIDINE; EMTRICITABINE; EMTRIVA"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31536	DB00879	DR00672	.	247.25	C8H10FN3O3S	113	374	-0.6	16	2	5	2	"1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1"	C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F	XQSPYNMVSIKCOC-NTSWFWBYSA-N
DG00943	Iopamidol	65492	"Iopamidol; 60166-93-0; Iopamiron; Iopamiro; Isovue; Niopam; Solutrast; Gastromiro; Iopamidolum; B-15000; UNII-JR13W81H44; SQ-13396; 62883-00-5; (S)-N,N'-bis(2-Hydroxy-1-(hydroxymethyl)ethyl)-2,4,6-triiodo-5-lactamidoisophthalamide; L-(+)-N,N'-Bis(2-hydroxy-1-hydroxymethylethyl)-2,4,6-triiodo-5-lactamide isophthalamide; L-5alpha-Hydroxypropionylamino-2,4,6-triiodoisophthalic acid di(1,3-dihydroxy-2-propylamide); SQ 13,396; CHEBI:31711; JR13W81H44; Iopamidol 300; Solutrast 370; iomapidol; NCGC00016892-01; Oypalomin; Isovue 370; CAS-60166-93-0; DSSTox_CID_3158; (S)-N1,N3-bis(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanamido)-2,4,6-triiodoisophthalamide; DSSTox_RID_76896; DSSTox_GSID_23158; 1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide; Iopamiron 300; Iopamiron 370; Jopamiron 200; Iopamiro 370; Isovue-370; Niopam 300; Iopamidolum [INN-Latin]; N,N'-bis(1,3-dihydroxypropan-2-yl)-5-{[(2S)-2-hydroxypropanoyl]amino}-2,4,6-triiodobenzene-1,3-dicarboxamide; Iopamidol-200; Iopamidol-250; Iopamidol-300; Iopamidol-370; Scanlux-300; Scanlux-370; Isovue-128; Isovue-200; Isovue-250; Isovue-300; Isovue-M 200; Isovue-M 300; EINECS 262-093-6; B 15000; BRN 6250226; Iopamyron; SQ 13396; HSDB 8075; (S)-N,N'-Bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-5-lactamidoisophthalamide; Iopamiron (TN); Iopamidol-200 in plastic container; Iopamidol-250 in plastic container; Iopamidol-300 in plastic container; Iopamidol-370 in plastic container; Isovue (TN); Iopamidol [USAN:USP:INN:BAN:JAN]; Prestwick0_000871; Prestwick1_000871; Prestwick2_000871; Prestwick3_000871; Iopamidol (JP17/USP); L-5alpha-Idrossipropionilamino-2,4,6-triiodoisoftal-di(1,3-diidrossi-2-propilamide); SCHEMBL27781; BSPBio_000941; SPBio_002862; BPBio1_001037; CHEMBL1200932; DTXSID1023158; HMS1570P03; HMS2097P03; HMS3714P03; Pharmakon1600-01502304; ACT03261; HY-B0684; ZINC3830947; Tox21_110668; NSC759636; s4532; AKOS015891034; Tox21_110668_1; CCG-213024; DB08947; KS-1421; NCGC00016892-02; NCGC00016892-04; (S)-N,N'-Bis(2-hydroxy-1-(hydroxymethyl)ethyl)-5-((2-hydroxy-1-oxopropyl)amino)-2,4,6-triiodoisophthaldiamide; 1,3-Benzenedicarboxamide, N,N'-bis(2-hydroxy-1-(hydroxymethyl)ethyl)-5-(((2S)-2-hydroxy-1-oxopropyl)amino)-2,4,6-triiodo-; 1,3-Benzenedicarboxamide, N,N'-bis(2-hydroxy-1-(hydroxymethyl)ethyl)-5-((2-hydroxy-1-oxopropyl)amino)-2,4,6-triiodo-, (S)-; AB00513941; D01797; H11976; hydroxypropanamido)-2,4,6-triiodoisophthalamide; AB00513941_02; 166I930; A834067; Q424788; Q-201245; (S)-N1,N3-bis(1,3-dihydroxypropan-2-yl)-5-(2-; BRD-K75868704-001-01-2; (S)-N,N inverted exclamation marka-Bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-5-lactamidoisophthalamide; (S)-N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[(2-hydroxy-1-oxopropyl)amino]-2,4,6-triiodo-1,3-benzenedicarboxamide; N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-{[(2S)-2-hydroxypropanoyl]amino}-2,4,6-triiodobenzene-1,3-dicarboxamide; N1,N3-bis(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-triiodo-benzene-1,3-dicarboxamide; N1,N3-bis(1,3-dihydroxypropan-2-yl)-5-[(2S)-2-hydroxypropanamido]-2,4,6-triiodobenzene-1,3-dicarboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31711	DB08947	.	.	777.1	C17H22I3N3O8	188	583	-2.4	31	8	8	10	"1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/m0/s1"	C[C@@H](C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O	XQZXYNRDCRIARQ-LURJTMIESA-N
DG00948	Balofloxacin	65958	"Balofloxacin; 127294-70-6; 1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-(methylamino)piperidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; Bilimin; (+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)piperidino)-4-oxo-3-quinolinecarboxylic acid; 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid; NCGC00167532-01; Balofloxacin [INN]; DSSTox_CID_26695; DSSTox_RID_81829; UNII-Q022B63JPM; DSSTox_GSID_46695; 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)-1-piperidinyl)-4-oxo-; Q 35; 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; CAS-127294-70-6; CHEMBL1210954; 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)-1-piperidinyl]-4-oxo-; BALOFLOXACIN 2-HYDRATE; SCHEMBL134163; DTXSID5046695; HMS3655N15; HY-B0159; RKL10070; Tox21_112529; MFCD00864925; s2064; AKOS015900452; Tox21_112529_1; CCG-268516; CS-1991; KS-5214; NCGC00167532-02; (+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)piperidino)-4-oxo-3-quinoline arboxylic acid; 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)-1-piperidino]-4-oxo-3-quinolinecarboxylicacid; 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)-1-piperidyl]-4-oxo-quinoline-3-carboxylic acid; B4354; FT-0602907; SW220155-1; AB01566884_01; Balofloxacin, VETRANAL(TM), analytical standard; 294B706; A805677; SR-01000872576; J-700148; Q3633495; SR-01000872576-1; (+/-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)piperidino]-4-oxo-3-quinolinecarboxylic acid; 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methylaminopiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid; 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)-1-piperidyl]-4-oxoquinoline-3-carboxylic Acid; 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)piperidino]-4-oxo-3-quinolinecarboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	389.4	C20H24FN3O4	82.1	668	0.6	28	2	8	5	"1S/C20H24FN3O4/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)"	CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F	MGQLHRYJBWGORO-UHFFFAOYSA-N
DG00952	Brinzolamide	68844	"Brinzolamide; 138890-62-7; Azopt; AL-4862; AL 4862; Birnzolamide; (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide; MFCD08067749; UNII-9451Z89515; (4R)-4-(ethylamino)-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide; 138890-50-3; CHEBI:3176; (R)-4-(ethylamino)-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide; (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE; (R)-4-(Ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno(3,2-e)-1,2-thiazine-6-sulfonamide 1,1-dioxide; (R)-4-(Ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide; DSSTox_CID_25531; DSSTox_RID_80934; DSSTox_GSID_45531; 2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-, 1,1-dioxide, (4R)-; BZ1; 9451Z89515; C12H21N3O5S3; (4R)-4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide; Brinzolamide (BRZ); Azopt (TN); Brinzolamide (JAN/USP/INN); 3znc; NSC-760050; NCGC00016979-01; Brinzolamide [USAN:USP:INN:BAN]; Brinzolamide- Bio-X; CAS-138890-62-7; Prestwick0_000365; Prestwick1_000365; Prestwick2_000365; Prestwick3_000365; SCHEMBL24636; BSPBio_000489; 2H-Thieno(3,2-e)-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-, 1,1-dioxide, (R)-; MLS002153787; BIDD:GT0039; SPBio_002410; AMY372; BPBio1_000539; CHEMBL220491; GTPL6797; DTXSID6045531; BDBM10885; Brinzolamide, >=98% (HPLC); HMS1569I11; HMS2096I11; HMS2234K06; HMS3713I11; HMS3885I11; BCP22330; HY-B0588; ZINC3953037; Tox21_110722; s3178; AKOS005145708; Tox21_110722_1; AC-5277; CCG-220365; CCG-222516; DB01194; NSC 760050; NCGC00179542-03; NCGC00179542-09; NCGC00179542-10; AS-35084; BB164262; SMR001233169; AB00513824; B4258; SW197152-3; AL4862;AL 4862;AL-4862; C07760; D00652; AB00513824_06; Q411517; SR-01000838832; Q-200751; SR-01000838832-2; BRD-K74913225-001-03-3; Brinzolamide, United States Pharmacopeia (USP) Reference Standard; (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-2H,3H,4H-1$l^{6},7,2-thieno[3,2-e][1$l^{6},2]thiazine-6-sulfonamide; (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-2H,3H,4H-1$l^{6},7,2-thieno[3,2-e][1,2]thiazine-6-sulfonamide; (4r)-4-(ethylamino)-2-(3-methoxypropyl)-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine-6-sulfonamide-1,1-dioxide; (4R)-4-ethylamino-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[4,5-e]thiazine-6-sulfonamide; (5R)-5-ethylamino-3-(3-methoxypropyl)-2,2-dioxo-2,9-dithia-3-azabicyclo[4.3.0]nona-1(6)7-diene-8-sulfonamide; (5R)-5-Ethylamino-3-(3-methoxypropyl)-2,2-dioxo-2 6,9-dithia-3-azabicyclo[4.3.0]nona-7,10-diene-8-sulfonamide; (R)- 4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide; (R)-3,4-Dihydro-4-ethylamino-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide; 2H-Thieno(3,2-e)-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-,1,1-dioxide, (R)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3176	DB01194	.	DR0229	383.5	C12H21N3O5S3	164	598	-0.3	23	2	9	7	"1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1"	CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC	HCRKCZRJWPKOAR-JTQLQIEISA-N
DG00959	Nebivolol	71301	"Nebivolol; 99200-09-6; Narbivolol; 2,2'-Azanediylbis(1-(6-fluorochroman-2-yl)ethanol); 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol; CHEBI:64019; Nebivololum [Latin]; 2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol]; R 67145; R 065824; 118457-14-0; (-)-Nebivolol; Levonebivolol; l-Nebivolol; R65,824; R 67138;d-Nebivolol;(+)-Nebivolol; (S,R,R,R)-Nebivolol; R-65824; Nebivolol-d4; rac Nebivolol-[d8]; 2H-1-Benzopyran-2-methanol, alpha,alpha'-(iminobis(methylene))bis(6-fluoro-3,4-dihydro-; SCHEMBL19863; CHEMBL434394; GTPL7246; DTXSID9040556; BDBM84735; HMS3604L09; MFCD00865796; NSC_71301; PDSP1_000244; PDSP2_000243; Ro-67555; AKOS015895102; AC-1611; CCG-357228; DB04861; AS-77015; CAS_99200-09-6; DB-057766; FT-0631000; FT-0672663; FT-0672664; FT-0672665; FT-0672666; FT-0700072; R74714; 200N096; A845981; L001284; Q418130; SR-01000883933; SR-01000883933-1; 2,2-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol]; alpha,alpha'-(iminodimethylene)bis-(6-fluoro-2-chromanmethanol); 1,1'-bis(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2,2'-iminodiethanol; 1,1'-[bis(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)]-2,2'-iminodiethanol; 1-(6-fluorochroman-2-yl)-2-[[2-(6-fluorochroman-2-yl)-2-hydroxyethyl]amino]ethanol; alpha,alpha'-(iminobismethylene)bis-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol); alpha,alpha'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol]; alpha,alpha'[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol]"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:64019	DB04861	.	.	405.4	C22H25F2NO4	71	483	3	29	3	7	6	"1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2"	C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O	KOHIRBRYDXPAMZ-UHFFFAOYSA-N
DG00976	Atovaquone	74989	"ATOVAQUONE; 95233-18-4; Mepron; Wellvone; Acuvel; Atavaquone; 566C80; 94015-53-9; Mepron (antipneumocystic); cis-Atovaquone; 137732-39-9; BW 566C; 566C; C22H19ClO3; 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione; Atovaquone (Atavaquone); 2-(trans-4-(p-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone; UNII-Y883P1Z2LT; UNII-F1W7QUV0KI; F1W7QUV0KI; 2-(4-(4-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone; 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone; 2-(TRANS-4-(4-CHLOROPHENYL)CYCLOHEXYL)-3-HYDROXY-1,4-NAPHTHALENEDIONE; Y883P1Z2LT; CHEBI:575568; 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione; NSC-759582; NCGC00016961-01; CAS-95233-18-4; 2-[trans-4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthalenedione; DSSTox_CID_2629; trans-2-[4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthalenedione; DSSTox_RID_76664; DSSTox_GSID_22629; 2-(4-(4-Chlorophenyl)cyclohexyl)-3-hydroxynaphthalene-1,4-dione; 2-[trans-4-(p-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone; 1,4-Naphthalenedione, 2-[cis-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-; 2-((1r,4r)-4-(4-chlorophenyl)cyclohexyl)-3-hydroxynaphthalene-1,4-dione; DRG-0084; BW 566C-80; Mepron (TN); BW-A 566C; HSDB 7083; SR-05000001438; BW-566C-80; CRL-8131 & Atovaquone; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone; Atovaquone & Interleukin 12; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-naphthalene-1,4-dione; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione; cis-2-(4-(4-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone; Cis-2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone; 1,4-Naphthalenedione, 2-(cis-4-(4-chlorophenyl)cyclohexyl)-3-hydroxy-; 2-(trans-4-(4-chlorophenyl)cyclohexyl)-3-hydroxynaphthalene-1,4-dione; trans-2-(4-(4-chlorophenyl) cyclohexyl)-3-hydroxynaphthalene-1,4-dione; ATO & IL-12; Atovaquone [USAN:USP:INN:BAN]; Atovaquone-[d5]; Atovaquone- Bio-X; BW 566C80; Spectrum_001743; starbld0018905; SpecPlus_000686; Prestwick0_000534; Prestwick1_000534; Prestwick2_000534; Prestwick3_000534; Spectrum2_001665; Spectrum3_000991; Spectrum4_001117; Spectrum5_001382; Atovaquone EP Impurity B; SCHEMBL21694; SCHEMBL21695; Atovaquone (JAN/USP/INN); BSPBio_000547; BSPBio_002681; KBioGR_001594; KBioSS_002223; Atovaquone Related Compound A; MLS002153863; BIDD:GT0849; DivK1c_006782; SCHEMBL637069; SPECTRUM1504210; SPBio_001849; SPBio_002468; BPBio1_000603; CHEMBL222334; CHEMBL471792; CHEMBL519462; GTPL9695; SCHEMBL1542719; SCHEMBL1649508; SCHEMBL9975142; SCHEMBL9975229; Atovaquone, >=98% (HPLC); CIS-ATOVAQUONE (RACEMIC); DTXSID7022629; CHEBI:95346; KBio1_001726; KBio2_002223; KBio2_004791; KBio2_007359; KBio3_001901; DTXSID20916694; BDBM192009; HMS1569L09; HMS1922F19; HMS2089M14; HMS2093C10; HMS2096L09; HMS2235N08; HMS3369N09; HMS3651N20; HMS3713L09; Pharmakon1600-01504210; AMY15339; BCP09477; Tox21_110714; 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxy-naphthalene-1,2-dione; Atovaquone related compound A [USP]; CCG-39090; FD7252; MFCD00889188; NSC759582; s3079; STK636160; trans-2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone; ZINC12504271; 1,4-Naphthalenedione, 2-(4-(4-chlorophenyl)cyclohexyl)-3-hydroxy-, trans-; 1,4-Naphthalenedione, 2-(trans-4-(4-chlorophenyl)cyclohexyl)-3-hydroxy-; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-dihydronaphthalene-1,4-dione; AKOS005567953; AKOS015895691; AKOS015961933; Tox21_110714_1; ZINC100017856; ZINC100345537; ZINC116473771; ZINC299873031; BW-556C-80; CCG-220534; DB01117; MCULE-7318126574; NSC 759582; NCGC00016961-02; NCGC00016961-03; NCGC00016961-04; NCGC00016961-06; NCGC00016961-07; NCGC00016961-11; NCGC00095113-01; NCGC00095113-02; AC-30251; AS-12809; Atovaquone 100 microg/mL in Acetonitrile; BA164228; HY-13832; SMR001233220; SBI-0052893.P002; AB00513855; FT-0602868; SW219222-1; A13708; C06835; D00236; F18448; J90007; AB00053222-03; AB00053222_04; AB00053222_05; 233A184; A853147; Q418179; SR-05000001438-1; SR-05000001438-2; SR-05000001438-4; SR-05000001438-5; Z1541632806; 2-[4-(4-chlorophenyl)cyclohexy]-3-hydroxy-1,4-naphthoquinone; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-napthoquinone; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1.4-naphthoquinone; 2-Hydroxy-3-[4-(4-chlorophenyl)cyclohexyl]-1,4-naphthoquinone; 3-[4-(p-chlorophenyl)cyclohexyl]-4-hydroxy-1,2-naphthoquinone; 1,4-Naphthalenedione, 2-(4-(4-chlorophenyl)cyclohexyl)-3-hydroxy-; 2-[4-(4-Chlorophenyl)cyclohexyl]-3-hydroxynaphthoquinone, trans-; 3-[4-(4-Chlorophenyl)cyclohexyl]-4-hydroxy-1,2-naphthalenedione; 2-(cis-4-(4-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthalenedione; cis -2-(4-(4-chlorophenyl)cyclohexyl)-3-hydroxynaphthalene-1,4-dione"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:575568	DB01117	.	DR0158	366.8	C22H19ClO3	54.4	595	5.2	26	1	3	2	"1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,24H,5-8H2"	C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O	BSJMWHQBCZFXBR-UHFFFAOYSA-N
DG00977	Cevimeline	83898	"Cevimeline; 107233-08-9; Cevimeline (INN); C10H17NOS; cevimeline trans-sulfoxide; BIDD:GT0265; SCHEMBL188381; CHEMBL1201267; DTXSID2023777; ZINC10163; AKOS025294043; CS-0397; AS-56166; HY-70020; X7254; D07667; UNII-K9V0CDQ56E component WUTYZMFRCNBCHQ-PSASIEDQSA-N; cis-2-Methyl-1'-azaspiro[[1,3]oxathiolane-5,3'-bicyclo[2.2.2]octane]; (3R,2'R)-2'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-[1,3]oxathiolane]"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00185	.	.	199.32	C10H17NOS	37.8	215	1.5	13	0	3	0	"1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10-/m1/s1"	C[C@@H]1O[C@]2(CN3CCC2CC3)CS1	WUTYZMFRCNBCHQ-PSASIEDQSA-N
DG00980	Gliquidone	91610	"Gliquidone; 33342-05-1; Glurenorm; Gliquidonum; ARDF 26; C27H33N3O6S; UNII-C7C2QDD75P; 1-cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]phenyl]sulfonylurea; Beglynor; MFCD00631870; C7C2QDD75P; ARDF-26; N-(Cyclohexylcarbamoyl)-4-(2-(7-methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)benzenesulfonamide; NCGC00016819-01; Gliquidona; CAS-33342-05-1; DSSTox_CID_3096; DSSTox_RID_76873; DSSTox_GSID_23096; Gliquidonum [INN-Latin]; 3-Cyclohexyl-1-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-isoquinolin-2-yl)ethyl]phenyl]sulfonyl-urea; Gliquidona [INN-Spanish]; ARDF 26 SE; AR-DF 26; Glurenorm (TN); 1-cyclohexyl-3-({4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene}sulfonyl)urea; Gliquidone (INN); SMR000685793; Gliquidone [INN:BAN]; EINECS 251-463-2; BRN 1559726; Gliquidon; Gliquidone,(S); Gliquidone, 98%; Prestwick0_000991; Prestwick1_000991; Prestwick2_000991; Prestwick3_000991; Oprea1_069443; SCHEMBL37769; BSPBio_001081; 1-Cyclohexyl-3-((p-(2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolyl)ethyl)phenyl)sulfonyl)urea; 1-Cyclohexyl-3-(p-beta-(4,4-dimethyl-2-methoxy-1,3-(2H,4H)-isoquinolinedione-2-yl)phenethyl)sulfonylurea; Benzenesulfonamide, N-((cyclohexylamino)carbonyl)-4-(2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolinyl)ethyl)-; MLS000881123; MLS000881174; MLS002154087; SPBio_002972; BPBio1_001191; CHEMBL383634; DTXSID4023096; CHEBI:93416; HMS1571G03; HMS2098G03; HMS2964J06; HMS3652O05; HMS3715G03; ACT06290; BCP11927; HY-B1114; ZINC1482077; Tox21_110629; BDBM50248247; AKOS001037880; Tox21_110629_1; CCG-220991; CM14378; CS-4646; DB01251; KS-5239; MCULE-6775445815; NCGC00016819-02; NCGC00016819-03; NCGC00016819-05; NCGC00016819-06; NCGC00179315-01; AC-23356; N-[(cyclohexylamino)carbonyl]-4-{2-[4,4-dimethyl-7-(methyloxy)-1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl]ethyl}benzenesulfonamide; N-(cyclohexylcarbamoyl)-4-(2-(7-methoxy-; AB00513989; FT-0630570; G0332; S3151; SW197285-3; D02430; J10245; T72318; 4,4-dimethyl-1,3-dioxo-3,4-dihydroisoquinolin; AB00513989_07; 342G051; A821736; SR-01000833866; J-019153; Q5569924; SR-01000833866-2; BRD-K80396088-001-03-9; 1-cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-2-isoquinolinyl)ethyl]phenyl]sulfonylurea; 1-Cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-2-isoquinolyl)ethyl]phenyl]sulfonyl-urea;Gliquidone; 3-cyclohexyl-1-({4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene}sulfonyl)urea; N-cyclohexylcarbamoyl-4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-1,2,3,4- tetrahydroisoquinolin-2-yl)ethyl]benzenesulfonamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:93416	DB01251	DR00405	DR0779	527.6	C27H33N3O6S	130	948	4.6	37	2	6	7	"1S/C27H33N3O6S/c1-27(2)23-14-11-20(36-3)17-22(23)24(31)30(25(27)32)16-15-18-9-12-21(13-10-18)37(34,35)29-26(33)28-19-7-5-4-6-8-19/h9-14,17,19H,4-8,15-16H2,1-3H3,(H2,28,29,33)"	CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4CCCCC4)C	LLJFMFZYVVLQKT-UHFFFAOYSA-N
DG00981	Hydroxyflutamide	91649	"Hydroxyflutamide; 52806-53-8; 2-hydroxyflutamide; 2-Hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide; Hydroxyniphtholide; hydroxy-flutamide; 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide; Sch 16423; Hydroxy Flutamide; 2-Hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)-phenyl)propanamide; UNII-31D90UKP5Y; CHEMBL491; 31D90UKP5Y; Propanamide, 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-; MFCD00563126; OH-flutamide; DSSTox_CID_13562; DSSTox_RID_79084; DSSTox_GSID_33562; HFT; Hydroxyflutamid; Liproca Depot; Propanamide, 2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-; SMR001227196; 2-Hydroxy-flutamide; CAS-52806-53-8; 2-hydroxy Flutamide; 2ax6; .alpha.-hydroxyflutamide; alpha,alpha,alpha-Trifluoro-2-methyl-4'-nitro-m-lactotoluidide; 2-HOF; cid_91649; MLS001061267; MLS006011954; BIDD:ER0519; GTPL2862; SCHEMBL3079778; DTXSID8033562; SCHEMBL19117358; BDBM35909; HMS3039A05; BCP12495; Hydroxyflutamide, >=98% (HPLC); ZINC4655055; Tox21_201204; Tox21_303659; Hydroxyflutamide (Hydroxyniphtholide); AKOS007930906; CS-W013988; HY-W013272; MCULE-6726517919; SB17029; s10360; NCGC00091014-01; NCGC00091014-02; NCGC00091014-03; NCGC00091014-04; NCGC00091014-06; NCGC00257382-01; NCGC00258756-01; BS-17460; A1728; FT-0627147; H1600; X6072; A21118; Q15633976; 2-Hydroxy-4'-nitro-3'-(trifluoromethyl)isobutyranilide; Z1617901126; 2-Hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide; 2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-phenyl)-propionamide (hydroxy flutamide); 2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-phenyl)-propionamide(Hydroxyflutamide); 2-Hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide (2-Hydroxyflutamide); 2-HYDROXY-2-METHYL-N-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)PROPANAMIDE; HYDROXYNIPHTHOLIDE"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	292.21	C11H11F3N2O4	95.2	392	2.2	20	2	7	2	"1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)"	CC(C)(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)O	YPQLFJODEKMJEF-UHFFFAOYSA-N
DG00984	2-hydroxy-5-fluoropyrimidine	101498	"2022-78-8; 5-fluoropyrimidin-2-ol; 5-Fluoropyrimidin-2(1H)-one; 5-Fluoro-2-hydroxypyrimidine; 5-Fluoropyrimidin-2-one; 2-Hydroxy-5-fluoropyrimidine; 214290-48-9; 5-fluoro-1H-pyrimidin-2-one; 5-Fluoro-2-pyrimidinol; 2(1H)-Pyrimidinone, 5-fluoro-; 5-fluoro-2-pyrimidone; UNII-1VXI7T1BI5; 5-fluoro-pyrimidin-2-ol; 1VXI7T1BI5; SMR000449315; 2-Pyrimidinol, 5-fluoro- (9CI); 5-FP; NSC529069; NSC 529069; 5-fluoropyrimid-2-one; 5-Fluro-2-pyrimidone; 5-fluoropyrimidine-2-one; 2-Pyrimidinol, 5-fluoro-; MLS000758251; MLS001424161; SCHEMBL309070; AMY113; CHEMBL4303165; 2-Pyrimidinol,5-fluoro-(9CI); DTXSID90174067; CHEBI:125539; HMS2051J14; HMS3393J14; 0373AB; 5-Fluoro-2-hydroxypyrimidine, 97%; MFCD00223678; ZB1820; ZINC16697945; 5-fluoro-1,2-dihydropyrimidin-2-one; AKOS006347205; AKOS016004426; CCG-101035; CS-W008541; GS-6508; NC00285; NSC-529069; SB56948; SB57746; AC-26618; FT-0649189; 2(1H)-Pyrimidinone, 5-fluoro- (8CI)(9CI); A879769; J-013132; Q27216155"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:125539	DB01357	.	.	114.08	C4H3FN2O	41.5	173	-0.4	8	1	2	0	"1S/C4H3FN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)"	C1=C(C=NC(=O)N1)F	HPABFFGQPLJKBP-UHFFFAOYSA-N
DG00985	Fotemustine	104799	"Fotemustine; 92118-27-9; Diethyl (1-(3-(2-chloroethyl)-3-nitrosoureido)ethyl)phosphonate; Muphoran; Mustophorane; Fotemustina; Servier-10036; S 10036; Mustoforan; UNII-UPB2NN83AR; UPB2NN83AR; S-10036; UNII-QY93P3GN94; QY93P3GN94; (+-)-Diethyl (1-(3-(2-chloroethyl)-3-nitrosoureido)ethyl)phosphonate; MFCD00866278; Fotemustinum [Latin]; Diethyl-1-(3-(2-chloroethyl)-3-nitrosoureido)ethylphosphonate; Fotemustina [Spanish]; Fotemustinum; C9H19ClN3O5P; SMR002529685; CCRIS 6337; Fotemustine [INN:BAN]; HSDB 7762; Muphoran (TN); Fotemustine, (+)-; Fotemustine, (-)-; 1-(2-chloroethyl)-3-(1-diethoxyphosphorylethyl)-1-nitrosourea; Fotemustine (INN/BAN); SCHEMBL8880; MLS006010211; MLS006010716; CHEMBL549386; 6-Amino-3-hydroxy(1h)indazole; Fotemustine, >=98% (HPLC); DTXSID80869091; CHEBI:131852; BCP07342; HY-B0733; AKOS015920275; DS-1395; P-[1-[[[(2-Chloroethyl)nitrosoamino]carbonyl]amino]ethyl]-phosphonic acid diethyl ester; Phosphonic acid, (1-((((2-chloroethyl)nitrosoamino)carbonyl)amino)ethyl)-, diethyl ester; NCGC00346829-01; NCGC00346829-03; K679; DB-057290; FT-0630979; D07255; 118F279; A844148; SR-01000944936; Q1439555; SR-01000944936-1; diethyl 1-(3-(2-chloroethyl)-3-nitrosoureido)ethylphosphonate; 1-(2-chloroethyl)-3-(1-diethoxyphosphorylethyl)-1-nitroso-urea; diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate; diethyl (1-{[N-(2-chloroethyl)-N'-oxohydrazinecarbonyl]amino}ethyl)phosphonate; 191219-77-9; 191220-84-5; Muphoran; ; ; Mustoforan; ; ; S-10036; ; ; 1-(2-Chloroethyl)-3-(1-diethoxyphosphorylethyl)-1-nitrosourea; Phosphonic acid, (1-((((2-chloroethyl)nitrosoamino)carbonyl)amino)ethyl)-, diethyl ester, (+)-; Phosphonic acid, (1-((((2-chloroethyl)nitrosoamino)carbonyl)amino)ethyl)-, diethyl ester, (-)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:131852	DB04106	.	.	315.69	C9H19ClN3O5P	97.3	334	0.9	19	1	6	8	"1S/C9H19ClN3O5P/c1-4-17-19(16,18-5-2)8(3)11-9(14)13(12-15)7-6-10/h8H,4-7H2,1-3H3,(H,11,14)"	CCOP(=O)(C(C)NC(=O)N(CCCl)N=O)OCC	YAKWPXVTIGTRJH-UHFFFAOYSA-N
DG00995	Valdecoxib	119607	"Valdecoxib; 181695-72-7; Bextra; 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide; Valdyn; SC 65872; SC-65872; 4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide; Kudeq; 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide; Benzenesulfonamide, 4-(5-methyl-3-phenyl-4-isoxazolyl)-; YM-974; UNII-2919279Q3W; CHEMBL865; p-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide; 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide; CHEBI:63634; MFCD00950568; NSC-759846; COX; NCGC00095129-01; 2919279Q3W; DSSTox_CID_24226; DSSTox_RID_80128; DSSTox_GSID_44226; Valecoxib; SMR000466327; CAS-181695-72-7; HSDB 7302; Valdecoxib (USAN/INN); 4-[5-methyl-3-phenylisoxazol-4-yl]benzenesulfonamide; valdecoxibum; 4-(5-methyl-3-phenyl-isoxazol-4-yl)benzenesulfonamide; Valdecoxib [USAN:INN:BAN]; 4-(5-methyl-3-phenyl-4-isoxazolyl) benzenesulfonamide; ND-0214; Spectrum_001747; 2aw1; Spectrum2_000508; Spectrum3_001001; Spectrum4_001129; Spectrum5_001476; SCHEMBL3356; BSPBio_002721; KBioGR_001617; KBioSS_002227; MLS000759433; MLS001165699; MLS001195631; MLS001424105; SPECTRUM1504302; SPBio_000435; 4-(Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide; cid_119607; GTPL2894; ZINC6694; DTXSID6044226; Valdecoxib, >=98% (HPLC); BDBM13063; KBio2_002227; KBio2_004795; KBio2_007363; KBio3_001941; EX-A241; HMS1922J21; HMS2051P07; HMS2232P23; HMS3372D12; HMS3393P07; HMS3652I04; HMS3715L18; HMS3885O20; Pharmakon1600-01504302; AMY31078; BCP02419; Tox21_111438; AC-120; CCG-39589; NSC759846; s4049; AKOS000280920; Tox21_111438_1; CS-1674; DB00580; NC00184; NSC 759846; SB19519; MRF-0000216; NCGC00095129-02; NCGC00095129-03; NCGC00095129-06; Valdecoxib, analytical reference material; HY-15762; DB-044435; UNM-0000305814; FT-0631199; FT-0675755; SW197564-2; A13342; C21552; D02709; AB00639996-08; AB00639996_10; 695V727; A812629; Q347613; SR-01000759421; J-011613; J-513600; SR-01000759421-4; 4-[5-methyl-3-phenylisoxazol-4-yl]benzensulfonamide; BRD-K12994359-001-02-8; BRD-K12994359-001-14-3; 4-(5-Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide; Benzenesulfonamide, 4-(5-methyl-3-phenyl-4-isoxazolyl)- (9CI); VLX"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63634	DB00580	DR01196	DR1666	314.4	C16H14N2O3S	94.6	462	2.6	22	1	5	3	"1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)"	CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N	LNPDTQAFDNKSHK-UHFFFAOYSA-N
DG00998	Tazobactam	123630	"Tazobactam; 89786-04-9; Tazobactam acid; Tazobactamum; YTR-830H; YTR 830H; UNII-SE10G96M8W; CL-298741; CHEMBL404; YTR 830; CHEBI:9421; SE10G96M8W; (2S,3S,5R)-3-((1H-1,2,3-triazol-1-yl)methyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide; (2S,3S,5R)-3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide; CL 298,741; YTR 830 H; 89786-04-9 (free acid); (2S,3S,5R)-3-METHYL-4,4,7-TRIOXO-3-(1H-1,2,3-TRIAZOL-1-YLMETHYL)-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID; (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,3S,5R)-3-Methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 4,4-dioxide; SR-01000872598; 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, (2S,3S,5R)-; 89785-84-2; Tazobactamum [INN-Latin]; YTR830H; CCRIS 2203; YTR830; NSC-759887; Tazobactam,(S); Tazobactam [USAN:USP:INN:BAN]; (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4 ^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; Cl 298741; BRN 4787943; CL298741; Tazobactam;Tazobactan acid; EC 618-303-7; BIDD:GT0212; SCHEMBL122302; CXA201; Tazobactam (JP17/USP/INN); DTXSID8023634; GTPL10789; HMS3714G17; (2S,3S,5S)-3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide; BCP09757; EX-A1377; HY-B1418; ZINC3787060; BDBM50053173; MFCD00867002; s3077; AKOS015960801; AC-7620; CCG-207890; CS-4914; DB01606; DS-8301; NSC 759887; (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,3S,5R)-3-Methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 4,4-dioxide; T3732; C07771; D00660; D78146; T-1445; 786T049; A843310; Q423376; Tazobactam, Antibiotic for Culture Media Use Only; SR-01000872598-1; SR-01000872598-2; 89786-04-9, 89785-84-2 (sodium salt); BRD-K14312455-001-01-6; (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(1-triazolylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[(1H-1,2,3-triazol-1-yl)methyl]-4lambda(6)-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid; (2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4lambda 6-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid; (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4lambda6-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid; (2S,3S,5R)-3-methyl-4,4,7-tris(oxidanylidene)-3-(1,2,3-triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, (2S-(2alpha,3beta,5alpha))-; 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7- oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, [2S- (2alpha,3beta,5alpha)]-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9421	DB01606	.	DR2453	300.29	C10H12N4O5S	131	573	-2	20	1	7	3	"1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1"	C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3	LPQZKKCYTLCDGQ-WEDXCCLWSA-N
DG00999	Desloratadine	124087	"Desloratadine; 100643-71-8; Clarinex; Descarboethoxyloratadine; Desloratidine; Neoclarityn; Aerius; Azomyr; Sch-34117; Denosin; Opulis; Allex; Sch 34117; 8-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; Descarboethoxyoratidine; MFCD00871949; UNII-FVF865388R; CHEMBL1172; Loratadine related compound a; C19H19ClN2; 8-chloro-11-(piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; 8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine; MLS000559042; CHEBI:291342; FVF865388R; 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-; NSC-759824; NCGC00159325-02; SMR000149358; Clarinex RediTabs; 8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; DSSTox_CID_24196; DSSTox_RID_80112; DSSTox_GSID_44196; Desalex; 5H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-; 8-chloro-11-piperidin-4-ylidene-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine; 8-chloro-6,11-dihydro-11-(4-piperdinylidene)- 5H-benzo[5,6]cyclohepta[1,2-b]pyridine; Clarinex (TN); 13-chloro-2-(piperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene; Desloratadine Actavis; CAS-100643-71-8; SR-01000668962; Dasselta; Desloratadine [USAN:INN:BAN]; Desloratadine teva; Clarinex(R); 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta(1,2-b]pyridin-11-ylidene)-piperidine; 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine; 4-{8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene}-piperidine; 4-{8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene}piperidine; Desloratadine-[d7]; Desloratadine- Bio-X; MK-4117; CPD000149358; Opera_ID_1891; SCHEMBL4425; MLS000759406; MLS001201801; MLS001424247; Sch34117; Desloratadine (JAN/USP/INN); GTPL7157; ZINC1261; DTXSID1044196; Loratadine related compound a rs; HMS2052H05; HMS2090C06; HMS2093F19; HMS3394H05; HMS3652O15; HMS3715J15; HMS3885C18; Pharmakon1600-01505393; ALBB-027276; BCP02340; HY-B0539; Tox21_111574; BBL010777; BDBM50073179; NSC675447; NSC759824; s4012; STK586537; AKOS000280921; Tox21_111574_1; AC-1279; CCG-101162; DB00967; KS-1048; MCULE-2975958622; NC00412; NSC 675447; NSC 759824; NSC-675447; SB17503; Desloratadine, powder, >=98% (HPLC); NCGC00159325-03; NCGC00159325-04; NCGC00159325-05; 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene; BD164361; Loratadine EP Impurity D (Desloratadine); SBI-0206828.P001; D3787; FT-0602522; FT-0666048; SW197792-3; A19515; D03693; H11943; J10309; AB00456701-11; AB00456701-13; AB00456701_14; AB00456701_15; 643D718; L001025; Q418060; Q-200936; SR-01000668962-4; SR-01000668962-5; SR-01000668962-8; BRD-K82357231-001-13-4; Desloratadine, European Pharmacopoeia (EP) Reference Standard; Desloratadine, United States Pharmacopeia (USP) Reference Standard; 4-(8-chloro-5,6-dihydro-11 H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine; 4-(8-chloro-5,6-dihydro-11H-benzo-[5,6]cyclohepta(1,2-b]pyridin-11-ylidene)-piperidine; 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta [1,2-b]pyridin-11-ylidene) piperidine; 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene) piperidine; 8-chloro-11-(4-piperidinylidene)-6,11-dihydro-5H- benzo[4,5]cyclohepta[2,1-b]pyridine; 8-chloro-11-(4-piperidyliden)-6,11-dihydro-5H-benzo[5,6]cyclohepta [1,2-b]pyridine; 8-chloro-11-(4-piperidyliden)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; 8-chloro-11-(4-piperidylidene)-6,11-dihydro-5h-benzo[5.6]cyclohepta[1,2-b]pyridine; 8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H- benzo[5,6]cyclohepta[1,2,b]pyridine; 8-chloro-6,11-dihydro-11-(4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; Desloratadine for system suitability, European Pharmacopoeia (EP) Reference Standard; Desloratidine, Pharmaceutical Secondary Standard; Certified Reference Material; Loratadine Related Compound A, United States Pharmacopeia (USP) Reference Standard; 13-chloro-2-(piperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene; 8-CHLORO-11-(4-PIPERIDYLIDENE)-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-b]PYRIDINE; 8-Chloro-11-(piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (Descarboethoxyloratadine; Desloratadine)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:291342	DB00967	DR00497	DR1761	310.8	C19H19ClN2	24.9	425	4.5	22	1	2	0	"1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2"	C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4	JAUOIFJMECXRGI-UHFFFAOYSA-N
DG01003	Febuxostat	134018	"Febuxostat; 144060-53-7; Adenuric; Uloric; 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid; Tei 6720; Feburic; Tei-6720; TMX 67; 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid; TMX-67; Zurig; C16H16N2O3S; UNII-101V0R1N2E; Febuxostat (Uloric); 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID; CHEMBL1164729; 101V0R1N2E; NSC-758874; NCGC00182059-02; 2-(3-Cyano-4-(2-methylpropoxy)phenyl)-4-methylthiazole-5-carboxylic acid; 5-Thiazolecarboxylic acid, 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methyl-; DSSTox_CID_28576; DSSTox_RID_82848; DSSTox_GSID_48650; 5-Thiazolecarboxylic acid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-; SMR002529566; Uloric (TN); CAS-144060-53-7; 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid; 2-(3-Cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylic acid; Donifoxate; Febuxostatum; Febuday; Goturic; Febric; Goutex; Febuxostat (JAN/USAN/INN); Febuxostat [USAN:INN:BAN]; 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylic acid; Febuxostat- Bio-X; Feburic (TN); SPIRAMYCINADIPATE; 111GE013; S1547; Febuxostat,Uloric, TMX-67; MLS004774136; MLS006011568; SCHEMBL249339; GTPL6817; ZINC5423; thyl-thiazole-5-carboxylic acid; DTXSID8048650; Febuxostat, >=98% (HPLC); CHEBI:31596; BCPP000233; HMS3264C20; HMS3655C03; HMS3673M21; HMS3743I09; HMS3868J03; MX-67; Pharmakon1600-01504286; ACT06289; BCP02342; WZB81950; Tox21_113004; AC-425; BBL036503; BDBM50320491; FD7322; MFCD00871598; NSC758874; STL559020; AKOS015841695; Tox21_113004_1; BCP9000679; BS-1018; CCG-213303; CS-0403; DB04854; MCULE-6974079178; NSC 758874; PB33929; 2-(3-Cyano-4-isobutoxy-phenyl)-4-me; NCGC00182059-03; BC164443; HY-14268; S033; AM20090760; F0847; FT-0601639; SW219283-1; D01206; J10392; AB01274796-01; AB01274796_02; AB01274796_03; 060F537; Q417296; SR-01000940023; Q-100164; SR-01000940023-2; BRD-K48367671-001-01-8; Z1550648761; 2-(3-cyano-4-isobutyloxy)-phenyl-4-methyl-5-thiazolecarboxylic acid; 2-(3-cyano-4-isobutoxyphenyl)-4-methyl- 1,3-thiazole-5-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31596	DB04854	.	DR0681	316.4	C16H16N2O3S	111	448	3.9	22	1	6	5	"1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)"	CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O	BQSJTQLCZDPROO-UHFFFAOYSA-N
DG01004	Pomalidomide	134780	"Pomalidomide; 19171-19-8; Actimid; 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione; CC-4047; Pomalyst; Imnovid; 4-Amino-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione; 4-Aminothalidomide; 3-Amino-N-(2,6-dioxo-3-piperidyl)phthalimide; CC 4047; IMiD 3; Pomalidomide (CC-4047); 1H-Isoindole-1,3(2H)-dione, 4-amino-2-(2,6-dioxo-3-piperidinyl)-; (S)-pomalidomide; 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione; IMID-3; CHEBI:72690; MFCD12756407; 4-amino-2-(2,6-dioxo-3-piperidinyl)-1H-Isoindole-1,3(2H)-dione; 4-amino-2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione; 4-amino-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione; Pomalidomide [USAN:INN]; HSDB 8222; Pomalyst (TN); CC4047; Pomalidomide- Bio-X; IMiD1; 3-amino-N-(2,6-dioxo-3-piperidyl)phthalamide; 3-Aminophthalimidoglutarimide; MLS006011261; CHEMBL43452; SCHEMBL369172; GTPL7348; Pomalidomide (JAN/USAN/INN); 3-aminio-phthalimido-glutarimide; SCHEMBL19250920; BDBM65456; IMID-4047; CDC-394; DTXSID40893458; Pomalidomide, >=98% (HPLC); s-3-amino-phthalimido-glutarimide; HMS3655G05; HMS3744K07; Actimid; ; ; CC 4047; ; ; IMiD3; BCP02890; BCP09107; CFC83849; AM9718; NSC767909; NSC775351; s1567; AKOS013400288; CCG-264684; CS-0165; DB08910; LS40023; NSC-767909; NSC-775351; SB16552; NCGC00346551-01; NCGC00346551-03; AC-26970; AS-17905; BP-24477; BP164278; DA-21486; HY-10984; SMR004703012; SY054807; BCP0726000263; FT-0697903; P2074; SW218099-2; V2447; D08976; AB01565777_02; 171P198; SR-01000941573; J-012392; J-514302; Phthalimide, 3-amino-N-(2,6-dioxo-3-piperidyl)-; Q7227206; SR-01000941573-1; 1,3-dioxo-2-(2,6-dioxopiperidin-3-yl)-4-aminoisoindoline; 4-amino-2-(2,6-dioxo(3-piperidyl))isoindoline-1,3-dione; 4-Amino-2-(2,6-dioxo-3-piperidinyl)isoindole-1,3-dione; 4-Amino-2-(2,6-dioxo-3-piperidyl) isoindoline -1,3-dione; Lipopolysaccharides from Escherichia coli 055:B5 pound>>Lipopolysaccharides pound>> lipoglycans pound>>endotoxins"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:72690	DB08910	DR00151	DR1313	273.24	C13H11N3O4	110	504	0.2	20	2	5	1	"1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)"	C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)N	UVSMNLNDYGZFPF-UHFFFAOYSA-N
DG01007	Conivaptan	151171	"Conivaptan; 210101-16-9; YM087; YM-087; Conivaptan (INN); Conivaptan [INN]; UNII-0NJ98Y462X; N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide; CHEBI:681850; 0NJ98Y462X; Conivaptan-d4; 4'-((4,5-dihydro-2-methylimidazo(4,5-d)(1)benzazepin-6(1H)-yl)carbonyl)-2-biphenylcarboxanilide; CHEMBL1755; SCHEMBL49815; GTPL2203; BDBM85095; DTXSID80175220; HMS3745C21; BCP07817; PDSP1_001735; PDSP2_001718; ZINC12503187; AKOS015917893; CAS_151171; DB00872; NSC_151171; NCGC00345881-02; NCGC00345881-03; NCGC00345881-04; NCGC00345881-05; AC-30626; N-{4-[(2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepin-6(1H)-yl)carbonyl]phenyl}biphenyl-2-carboxamide; DB-066404; AM20090722; FT-0724257; D07748; AB01565868_02; L001073; L001531; Q5161126; (1,1'-Biphenyl)-2-carboxamide, N-(4-(4,5-dihydro-2-methylimidazo(4,5-d)(1)benzazepin-6(1H)-yl)carbonyl)phenyl)-; [1,1'-Biphenyl]-2-carboxamide, N-[4-[(4,5-dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1H)-yl)carbonyl]phenyl]-; 4'-[(2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepin-6-yl)carbonyl]-2-phenylbenzanilide; N-[4-({4-methyl-3,5,9-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),2(6),3,11,13-pentaen-9-yl}carbonyl)phenyl]-2-phenylbenzamide; N-[4-(2-methyl4,5-dihydro-3H-imidazo[5,4-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide; N-[4-[(4,5-Dihydro-2-methylimidazo[4,5-d][benzazepin-6(1H)-yl)carbonyl]phenyl-[1,1'-biphenyl]-2-carboxamide hydrochloride"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:681850	DB00872	.	.	498.6	C32H26N4O2	78.1	820	5.7	38	2	3	4	"1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)"	CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6	IKENVDNFQMCRTR-UHFFFAOYSA-N
DG01014	Arzoxifene	179337	"Arzoxifene; 182133-25-1; LY 353381; UNII-E569WG6E60; 2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol; LY353381; E569WG6E60; Benzo[b]thiophene-6-ol, 2-(4-methoxyphenyl)-3-[4-[2-(1-piperidinyl)ethoxy]phenoxy]-; Arzoxifene [INN]; Benzo(b)thiophene-6-ol, 2-(4-methoxyphenyl)-3-(4-(2-(1-piperidinyl)ethoxy)phenoxy)-; LY-353381; SCHEMBL285277; CHEMBL226267; BDBM19442; DTXSID10171255; ZINC1544683; DB06249; SB19713; 2-(4-methoxyphenyl)-3-(4-(2-(piperidin-1-yl)ethoxy)phenoxy)benzo[b]thiophen-6-ol; DA-09024; HY-13556; CS-0007165; FT-0751607; Q4802769; 2-(4-methoxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]phenoxy}-1-benzothiophen-6-ol; 2-(p-Methoxyphenyl)-3-(p-(2-piperidinoethoxy)phenoxy)benzo(b)thiophene-6-ol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	475.6	C28H29NO4S	79.4	601	6.6	34	1	6	8	"1S/C28H29NO4S/c1-31-22-8-5-20(6-9-22)28-27(25-14-7-21(30)19-26(25)34-28)33-24-12-10-23(11-13-24)32-18-17-29-15-3-2-4-16-29/h5-14,19,30H,2-4,15-18H2,1H3"	COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)OCCN5CCCCC5	MCGDSOGUHLTADD-UHFFFAOYSA-N
DG01015	Deflazacort	189821	"DEFLAZACORT; 14484-47-0; Azacort; Calcort; Oxazacort; Flantadin; Emflaza; Cortax; Deflan; MDL 458; UNII-KR5YZ6AE4B; C25H31NO6; DL-458-IT; L-5458; KR5YZ6AE4B; MDL-458; MFCD00866106; Dezacor; Lantadin; DSSTox_CID_378; DSSTox_RID_75552; DSSTox_GSID_20378; 2-((6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-7-hydroxy-6a,8a,10-trimethyl-4-oxo-1,2,4,6a,6b,7,8,8a,11a,12,12a,12b-dodecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-d]oxazol-8b-yl)-2-oxoethyl acetate; Deflazacortum; Decortil; Deflanil; Enzocort; Deflazacort (Calcort); 2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-4a,6a,8-trimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-6b-yl]-2-oxoethyl acetate; CAS-14484-47-0; Deflazacortum [INN-Latin]; Deflazacort [USAN:INN:BAN]; (11beta,16beta)-21-(Acetyloxy)-11-hydroxy-2'-methyl-5'H-pregna-1,4-dieno(17,16-d)oxazole-3,20-dione; (11beta,16beta)-21-(acetyloxy)-11-hydroxy-2'-methyl-5'H-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione; EINECS 238-483-7; Emflaza (TN); Deflazacort (USAN/INN); SCHEMBL4018; DL-458IT; GTPL9477; MDL458; CHEMBL1201891; DTXSID9020378; Deflazacort, >=98% (HPLC); CHEBI:135720; HMS3714D15; BCP08474; ZINC4212809; Tox21_112506; Tox21_301415; BBL036672; s1888; STL559051; AKOS015895199; Tox21_112506_1; CCG-220817; DB11921; KS-1158; NCGC00255189-01; NCGC00263521-01; 11beta,21-Dihydroxy-2'-methyl-5'betaH-pregna-1,4-dieno(17,16-d)oxazole-3,20-dione 21-acetate; H894; HY-13609; D4523; D03671; T70289; AB01274724-01; AB01274724_02; 484D470; Q779118; Q-101371; 3-AMINO-3-(4-CHLORO-3-NITRO-PHENYL)-PROPIONICACID; Deflazacort, United States Pharmacopeia (USP) Reference Standard; 11b,21-Dihydroxy-2'-methyl-5'bH-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione 21-acetate; [2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-6,9,13-trimethyl-16-oxo-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-8-yl]-2-oxoethyl] acetate; 11beta,21-dihydroxy-2'-methyl-5'betaH-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione 2'-acetate; 2-((6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-7-hydroxy-6a,8a,10-trimethyl-4-oxo-2,4,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-d]oxazol-8b-yl)-2-oxoethyl acetate; 5'-beta-H-Pregna-1,4-dieno(17,16-d)oxazole-3,20-dione, 11-beta,21-dihydroxy-2'-methyl-, 21-acetate; 5'-beta-H-Pregna-1,4-dieno(17,16-d)oxazole-3,20-dione, 11-beta,21-dihydroxy-2'-methyl-,21-acetate; 5'H-Pregna-1,4-dieno(17,16-d)oxazole-3,20-dione, 21-(acetyloxy)-11-hydroxy-2'-methyl-, (11beta,16beta)-; pregna-1,4-diene-11beta,21-diol-3,20-dione[17alpha,16alpha-d]-2'-methyloxazoline 21-acetate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135720	DB11921	.	.	441.5	C25H31NO6	102	996	2	32	1	7	4	"1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1"	CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)COC(=O)C	FBHSPRKOSMHSIF-GRMWVWQJSA-N
DG01027	Glucosamine	439213	"2-Amino-2-Deoxy-D-Glucopyranose; 2-Amino-2-Deoxy-D-Glucopyranoside; 2-Amino-2-Deoxy-D-Glucose; 2-Amino-2-Deoxy-Glucopyranose; 2-Amino-2-Deoxy-Glucopyranoside; 2-Amino-2-Deoxy-Glucose; 2-Deoxy-2-Amino-D-Glucopyranose; 2-Deoxy-2-Amino-D-Glucopyranoside; 2-Deoxy-2-Amino-D-Glucose; 2-Deoxy-2-Amino-Glucopyranose; 2-Deoxy-2-Amino-Glucopyranoside; 2-Deoxy-2-Amino-Glucose; D-GlcN; D-Glucosamine; GlcN; Glucosamine; chitosamine; Glucosamine free base; D-(+)-Glucosamine; 2-amino-2-deoxyglucose; CHEBI:47977; (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol; 3416-24-8 (free base); 2-Aminoglucose; D-Glucose, 2-amino-2-deoxy-; (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol; Glucosaminum [INN-Latin]; Glucosamina [INN-Spanish]; Mediflex; GlcNH2; 2-Deoxy-2-aminoglucose; Glucosamine (USAN/INN); Glucosamine [USAN:INN]; bmse000247; Epitope ID:151531; SCHEMBL167831; 2-Amino-2-deoxyhexopyranose #; CHEMBL493287; BBL009288; STK801823; AKOS005622471; (+)-2-amino-2-deoxy-D-glucopyranose; DB01296; DB-017621; C00329; D04334; Q327506; J-019472; WURCS=2.0/1,1,0/[a2122h-1x_1-5_2*N]/1/"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:47977	DB01296	.	.	179.17	C6H13NO5	116	155	-2.8	12	5	6	1	"1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6 /m1/s1"	C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)O	MSWZFWKMSRAUBD-IVMDWMLBSA-N
DG01038	Vinpocetine	443955	"Vinpocetine; 42971-09-5; Cavinton; Ceractin; Apovincaminic acid ethyl ester; Ethyl apovincamin-22-oate; Bravinton; TCV-3B; Ethyl (+)-apovincaminate; Ultra-Vinca; RGH 4405; RGH-4405; cis-Apovincaminic acid ethyl ester; (+)-Apovincaminic acid ethyl ester; Ethyl (+)-cis-apovincaminate; (+)-cis-Apovincaminic acid ethyl ester; AY 27,255; TCV 3B; Ethyl apovincaminate; UNII-543512OBTC; 3-alpha,16-alpha-Apovincaminic acid ethyl ester; Eburnamenine-14-carboxylic acid ethyl ester; CHEMBL71752; MLS000069635; 543512OBTC; MFCD00211233; NSC-760093; (41S,13aS)-ethyl 13a-ethyl-2,3,41,5,6,13a-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate; NCGC00018204-09; Vinpocetinum; C22H26N2O2; SMR000058241; AY-27,255; Eburnamenine-14-carboxylic acid, ethyl ester, (3alpha,16alpha)-; DSSTox_CID_3740; DSSTox_RID_77176; DSSTox_GSID_23740; ethyl (41S,13aS)-13a-ethyl-2,3,41,5,6,13a-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate; Vinpocetinum [INN-Latin]; Eburnamenine-14-carboxylic acid, ethyl ester, (3a,16a)-; Apovincaminate d'ethyle; Vinporal; Apovincaminate d'ethyle [French]; 1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine, eburnamenine-14-carboxylic acid deriv.; SR-01000075633; EINECS 256-028-0; BRN 0900803; Vinpocetin; Vinpocetine (JAN/USAN/INN); Vinpocetine-ethyl apovincaminate; 3A,16A-Apovincaminic acid ethyl ester; NCGC00016854-03; Vinpocetine [USAN:INN:BAN:JAN]; Prestwick_963; Vinpocetin- Bio-X; CAS-42971-09-5; Spectrum_001400; Vinpocetine (Cavinton); AY 27255; SpecPlus_000327; Opera_ID_1325; Prestwick0_000268; Prestwick1_000268; Prestwick2_000268; Prestwick3_000268; Spectrum2_001529; Spectrum3_000961; Spectrum4_001075; Spectrum5_000966; V 6383; Lopac0_001257; SCHEMBL50081; BSPBio_000116; BSPBio_002561; KBioGR_001430; KBioSS_001880; MLS001076294; DivK1c_006423; SPECTRUM1503115; Vinpocetine, >=98%, solid; ethyl (3alpha,16alpha)-eburnamenine-14-carboxylate; SPBio_001318; SPBio_002335; BPBio1_000128; cid_443955; GTPL5285; Vinpocetine, analytical standard; DTXSID5023740; REGID_for_CID_443955; CHEBI:32297; KBio1_001367; KBio2_001880; KBio2_004448; KBio2_007016; KBio3_001781; HMS1568F18; HMS1922G05; HMS2090J22; HMS2092L06; HMS2095F18; HMS3263L16; HMS3402D12; HMS3411H11; HMS3675H11; HMS3712F18; HMS3887E17; Pharmakon1600-01503115; (3alpha, 16alpha)-Eburnamenine-14-carboxylic acid ethyl ester; 68780-77-8; AMY39087; BCP04123; Tox21_110648; Tox21_110839; Tox21_501257; BDBM50059033; CCG-39307; Eburnamenine-14-carboxylic acid, ethyl ester, (3-alpha,16-alpha)-; NSC760093; PD-185; s2110; ZINC19796031; AKOS015896480; Tox21_110648_1; CS-0545; DB12131; LP01257; NSC 760093; SDCCGSBI-0051224.P003; Vinpocetine 1.0 mg/ml in Acetonitrile; (3S,16S)-apovincaminic acid ethylester; NCGC00018204-05; NCGC00018204-06; NCGC00018204-07; NCGC00018204-08; NCGC00018204-10; NCGC00018204-11; NCGC00018204-13; NCGC00021727-04; NCGC00021727-05; NCGC00021727-06; NCGC00021727-07; NCGC00168782-01; NCGC00261942-01; NCGC00263865-01; NCGC00263865-04; AC-22612; AS-13868; AY-27255; BV164528; HY-13295; Eburnamenine-14-carboxylic acid ethyl ester;; EU-0101257; D01371; J10479; AB00052317_02; 971V095; Q420288; SR-01000000118; SR-01000000118-3; SR-01000075633-1; SR-01000075633-3; SR-01000075633-4; W-202748; BRD-K53318339-001-05-8; (3 ,16 )-Eburnamenine-14-carboxylic acid ethyl ester; Vinpocetine, European Pharmacopoeia (EP) Reference Standard; (3alpha,16alpha)-Eburnamenine-14-carboxylic acid ethyl ester; Vinpocetine, United States Pharmacopeia (USP) Reference Standard; (11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H-3a,9b-diaza-benzo[cd]fluoranthene-10-carboxylic acid ethyl ester; (3aS,11bS)-3a-ethyl-1,2,3,3a,10,11b-hexahydro-11H-5a,11a-diaza-benzo[cd]fluoranthene-5-carboxylic acid ethyl ester; 115986-87-3; 11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H-3a,9b-diaza-benzo[cd]fluoranthene-10-carboxylic acid 2-nitrooxy-ethyl ester(Vinpocetine); ethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.0^{2,7}.0^{8,18}.0^{15,19}]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate; ethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32297	DB12131	.	DR1697	350.5	C22H26N2O2	34.5	617	4.1	26	0	3	4	"1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1"	CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC	DDNCQMVWWZOMLN-IRLDBZIGSA-N
DG01041	Fluvastatin	446155	"Fluvastatin; Lescol; 93957-54-1; (3R,5S)-fluvastatin; Canef; Cranoc; (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid; (+)-(3R,5S)-fluvastatin; XU-62320; CHEBI:38565; 155229-75-7; Vastin; (+)-3R,5S-Fluvastatin sodium salt; (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid; (3R,5S,E)-7-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)-3,5-dihydroxyhept-6-enoic acid; (E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid; (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid; CHEMBL1078; Fluvastatin & Primycin; NSC-758896; (-)-fluvastatin; (E,3R,5S)-7-[3-(4-fluorophenyl)-1-isopropyl-indol-2-yl]-3,5-dihydroxy-hept-6-enoic acid; DSSTox_CID_636; Prestwick2_000859; SCHEMBL2846; DSSTox_RID_75707; DSSTox_GSID_20636; (3R,5S,6E)-rel-7-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic acid; SCHEMBL556754; GTPL2951; DTXSID2020636; BDBM86704; CHEBI:93160; HMS2089P06; HMS3259J15; Pharmakon1600-01504911; ACT03305; ZINC1886617; Tox21_302765; DL-108; HY-14664B; NSC758896; CCG-213323; NC00659; NCGC00256490-01; CAS-93957-54-1; CAS_93957-54-1; CS-0019897; EN300-51915; H11963; 957F541; Q417942; SR-05000001489-1; BRD-K66296774-001-02-0; UNII-4L066368AS component FJLGEFLZQAZZCD-MCBHFWOFSA-N; (E)-(3R,5S)-7-[3-(4-Fluoro-phenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxy-hept-6-enoic acid; 6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-, (3R,5S,6E)-; Fluvastatin sodium L1483"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:38565	DB01095	DR00124	.	411.5	C24H26FNO4	82.7	590	3.5	30	3	5	8	"1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1"	CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F	FJLGEFLZQAZZCD-MCBHFWOFSA-N
DG01044	Fosfomycin	446987	"FOSFOMYCIN; phosphomycin; Phosphonomycin; 23155-02-4; Fosfonomycin; Fosfocina; Monurol; Veramina; Fosfomicina; Fosfomycine; Fosfomycinum; [(2R,3S)-3-methyloxiran-2-yl]phosphonic acid; Antibiotic 833A; Phosphonemycin; Phosphonic acid, (3-methyloxiranyl)-, (2R-cis)-; UNII-2N81MY12TE; Phosphomycin disodium salt; (2R-cis)-(3-Methyloxiranyl)phosphonic acid; (1R,2S)-epoxypropylphosphonic acid; L-cis-1,2-epoxypropylphosphonic acid; (-)-(1R,2S)-(1,2-Epoxypropyl)phosphonic acid; CHEMBL1757; Phosphonicacid, P-[(2R,3S)-3-methyl-2-oxiranyl]-; Fosfomycin disodium salt; 2N81MY12TE; CHEBI:28915; FCM; Phosphonic acid, (1,2-epoxypropyl)-, (1R,2S)-(-)-; (1R,2S)-epoxypropylphosphonate; cis-(1R,2S)-epoxypropylphosphonic acid; Calcium fosfomycin; 1R-cis-(1,2-epoxypropyl)phosphonic acid; ((2R,3S)-3-methyloxiran-2-yl)phosphonic acid; Fosfomicin; Infectophos; 1,2-EPOXYPROPYLPHOSPHONIC ACID; Levo-phosphonomycin; Fosfomycin (USAN/INN); Fosfomycine [INN-French]; Fosfomycinum [INN-Latin]; Fosfomicina [INN-Spanish]; Fosfomycin [USAN:INN:BAN]; J01XX01; EINECS 245-463-1; MK-955; BRN 1680831; 883A; NSC-758170; Fosfomycin (compound 1); Fosfomycinfor culture media; SCHEMBL50951; BIDD:GT0448; BRN 1680831, Fosfocina; ZTI-01; DTXSID4048480; GTPL10813; BCP24891; ZINC1530427; BDBM50024894; cis-(2-Methyloxiranyl)-phosphonic acid; DB00828; (2R,3S)-3-methyloxiran-2-ylphosphonate; 25030-76-6; (1R, 2S)-1,2-epoxypropyl-phosphonic acid; FT-0774116; (2R,3S)-3-methyloxiran-2-ylphosphonic acid; (3-Methyl-oxiranyl)-phosphonic acid(Na salt); C06454; D04253; Q183554; W-107422; BRD-K81101512-234-01-9; Phosphonic acid, P-[(2R,3S)-3-methyl-2-oxiranyl]-; 6F066DFF-696A-4A94-AF78-A28430EBE5BA"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28915	DB00828	.	DR0749	138.06	C3H7O4P	70.1	138	-1.4	8	2	4	1	"1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1"	C[C@H]1[C@H](O1)P(=O)(O)O	YMDXZJFXQJVXBF-STHAYSLISA-N
DG01047	Octreotide	448601	"Octreotide; Octreotide acetate; 83150-76-9; Sandostatin; SMS 201-995; UNII-RWM8CCW8GP; Longastatin; RWM8CCW8GP; 79517-01-4; SMS-201-995; CHEMBL1680; 83150-76-9 (free base); MFCD00871400; Octreotidum [Latin]; Octreotida [Spanish]; Octrotide; (4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-19-((R)-2-amino-3-phenylpropanamido)-10-(4-aminobutyl)-16-benzyl-N-((2R,3R)-1,3-dihydroxybutan-2-yl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide; [R-(R*,R*)]-D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[2-hydroxy-1-(hydroxy-methyl)propyl]-cysteinamide cyclic(2-->7)-disulfide; Octreotida; Octreotidum; DRG-0115; Octreotide-LAR; SMS-995; Octreotide [USAN:INN:BAN]; Octreotode Acetate; (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide; SMS995; Octreotide, >=98% (HPLC); SCHEMBL10044649; HMS2090C09; 10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionylamino)-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carboxylic acid (2-hydroxy-1-hydroxymethyl-propyl)-amide; EX-A4865; BDBM50272772; AKOS015994656; CCG-270610; DB00104; HS-2020; AC-28733; L-Cysteinamide, D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxy-1-(hydroxymethyl)propyl)-, cyclic (2-7)-disulfide, (R-(R*,R*))-; 10-(4-Aminobutyl)-19-((2-amino-3-phenylpropanoyl)amino)-16-benzyl-7-(1-hydroxyethyl)-N-(2-hydroxy-1-(hydroxymethyl)propyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide acetate; 17O014; 79517-01-4b; AB01275486-01; Q419935; Q-201501; H-D-Phe-Cys-Phe-D-Trp-Lys-Thr-Cys-L-threoninol disulfide bond acetate salt; (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-16-benzyl-7-[(1R)-1-hydroxyethyl]-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide; 10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionylamino)-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carboxylic acid (2-hydroxy-1-; 2-{[(13R,16S,19R)-10-(4-Amino-butyl)-19-((S)-2-amino-3-phenyl-propionylamino)-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-amino}-3-hydroxy-butyric acid; D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-L-threoninol cyclic (2-7)-disulfide; D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (2-7)-disulfide; D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-L-cysteinamide Cyclic (2-7)-Disulfide Acetate; L-Cysteinamide, D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-(2-hydroxy-1-(hydroxymethyl)propyl)-, cyclic (2->7)-disulfide, (R-(R*,R*))-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00104	DR01163	.	1019.2	C49H66N10O10S2	383	1740	1	71	13	14	17	"1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1"	C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)[C@@H](CC5=CC=CC=C5)N)C(=O)N[C@H](CO)[C@@H](C)O)O	DEQANNDTNATYII-OULOTJBUSA-N
DG01064	Prothionamide	666418	"Protionamide; prothionamide; 14222-60-7; 2-propylpyridine-4-carbothioamide; Ektebin; Protionamid; Trevintix; Peteha; 2-Propyl-thioisonicotinamide; 2-Propylthioisonicotinamide; Tuberex; Protionamidum; Protionizina; Tebeform; 2-Propylisonicotinylthioamide; 4-Pyridinecarbothioamide, 2-propyl-; 2-Propyl-4-pyridinecarbothioamide; TH-1321; 2-Propyl-4-thiocarbamoylpyridine; RP 9778; Isonicotinamide, 2-propylthio-; 9778 R.P.; 1321 TH; UNII-76YOO33643; Prothionamidum; RP-9778; Protionamide (Prothionamide); MLS000042521; Protionamida; 76YOO33643; NSC-758962; NCGC00095164-01; SMR000047660; DSSTox_CID_25940; DSSTox_RID_81238; DSSTox_GSID_45940; Protionamidum [INN-Latin]; Protionamida [INN-Spanish]; Trevintix (TN); CAS-14222-60-7; Protionamide (INN); TH 1321; SR-05000001518; EINECS 238-093-7; BRN 0118164; Protion; Protionamide [INN:BAN:DCF]; Prothionamide (JP17); Opera_ID_999; Spectrum2_000019; Spectrum3_001964; SCHEMBL74572; BSPBio_003564; 5-22-02-00376 (Beilstein Handbook Reference); MLS001201789; MLS006011877; SPECTRUM1505316; SPBio_000057; CHEMBL1378024; DTXSID7045940; CHEBI:32066; KBio3_002911; Prothionamide, >=99% (HPLC); 2-Propyl-4-thiocarbamoyl pyridine; HMS1922D06; HMS2090J11; HMS2235M12; HMS3372K04; HMS3655O18; HMS3715G13; KUC109576N; Pharmakon1600-01505316; ALBB-010476; BCP13522; HY-B0306; KSC-27-052D; ZINC3874803; Tox21_111463; BBL010291; BDBM50499814; CCG-40049; MFCD00464119; NSC758962; s1881; STK366469; STL454225; AKOS005172678; Tox21_111463_1; 1321-TH; AC-4518; DB12667; KS-1282; MCULE-3817450515; NSC 758962; 2-propylpyridine-4-carbimidothioic acid; NCGC00095164-02; NCGC00095164-03; NCGC00095164-04; NCGC00095164-05; M860; SBI-0207058.P001; DB-042615; Protionamide 100 microg/mL in Acetonitrile; 4-Pyridinecarbothioamide, 2-propyl- (9CI); FT-0630412; P2302; SW199462-2; D01195; D88012; AB00393463-12; AB01093435-02; AB01093435_03; AB01093435_04; A807874; Q866657; Q-201638; SR-05000001518-1; SR-05000001518-2; SR-05000001518-3; BRD-K75360161-001-09-9"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32066	.	.	.	180.27	C9H12N2S	71	159	1.5	12	1	2	3	"1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)"	CCCC1=NC=CC(=C1)C(=S)N	VRDIULHPQTYCLN-UHFFFAOYSA-N
DG01066	Doxepin	667477	"Doxepin; (e)-doxepin; trans-doxepin; 1668-19-5; Doxepinum [INN-Latin]; Doxepina [INN-Spanish]; UNII-851NLB57HQ; Sinequan; Sinequan (TN); 851NLB57HQ; Doxepin [USAN]; Doxepina; Doxepinum; (3e)-3-(Dibenzo[b,E]oxepin-11(6h)-Ylidene)-N,N-Dimethylpropan-1-Amine; 3607-34-9; 11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenz(b,e)oxipin; Deptran; 1-Propanamine, 3-dibenz(b,e)oxepin-11(6H)-ylidene-N,N-dimethyl-; MF 10; Doxepin (INN); [11C]doxepin; 3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine; [11C]-doxepin; CCRIS 9176; Doxepin, (E)-; (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine; HSDB 3069; Doxepin [INN:BAN]; NCGC00015344-03; CAS-1229-29-4; Methyllactate; 11-(3-(Dimethylamino)propylidene)-6H-dibenz(b,e)oxepine; 11-(3-Dimethylamino-propyliden)-6,11-dihydro-dibenz(b,e)oxipin; N,N-Dimethyldibenz(b,e)oxepin-delta(11(6H),gamma)-propylamine; E-DOXEPIN; Tocris-0508; P-3693A; Prestwick2_000263; Prestwick3_000263; Lopac-D-4526; CHEMBL860; Doxepin [USAN:INN:BAN]; Lopac0_000339; BSPBio_000106; SCHEMBL116895; BPBio1_000118; GTPL1225; GTPL3958; ZINC1331; (E)-3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine; DTXSID7022966; BDBM112780; Dibenz(b,e)oxepin-delta(sup 11(6H)),gamma-propylamine, N,N-dimethyl-; CCG-204434; SDCCGSBI-0050327.P002; NCGC00015344-01; NCGC00015344-02; NCGC00015344-04; NCGC00015344-12; NCGC00024623-01; NCGC00162127-01; US8629135, SW-07; C06971; D07875; L000699; BRD-K36616567-003-01-5; BRD-K54462405-003-03-3; BRD-K54462405-003-16-5; Q27077103; UNII-5ASJ6HUZ7D component ODQWQRRAPPTVAG-GZTJUZNOSA-N; 5EH"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01142	DR00542	.	279.4	C19H21NO	12.5	363	4.3	21	0	2	3	"1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+"	CN(C)CC/C=C/1\\C2=CC=CC=C2COC3=CC=CC=C31	ODQWQRRAPPTVAG-GZTJUZNOSA-N
DG01074	Epalrestat	1549120	"Epalrestat; 82159-09-9; Kinedak; Epalrestatum; Ono 2235; Ono-2235; ONO-2; 2-((z)-5-((e)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid; UNII-424DV0807X; C15H13NO3S2; 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid; CHEMBL56337; 5-((1Z,2E)-2-Methyl-3-phenylpropenylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid; CHEBI:31539; ONO2235; 5-((Z,E)-beta-Methylcinnamylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid; MFCD00865484; 424DV0807X; {(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid; Epalrestat [INN]; Epalrestatum [Latin]; {5-[(E)-2-Methyl-3-phenyl-prop-2-en-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-acetic acid; 2-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid; ONO 2; Kinedak (TN); Aldonil; Aldorin; Tanglin; NCGC00164613-01; Epalrestat- Bio-X; 5-[(1Z, 2E)-2-methyl-3-phenylpropenylidene]-4-oxo2-thioxo-3-thiazolidineacetic acid; Epalrestat (JP17/INN); 3-Thiazolidineacetic acid, 5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-, (E,E)-; SCHEMBL49049; MLS000806985; GTPL11371; REGID_for_CID_1549120; HMS2747M09; HMS3887A17; ZINC1533688; BBL029067; BDBM50049730; s2035; STK337187; AKOS000274207; BCP9000649; CCG-267693; DB15293; NCGC00164613-08; NCGC00164613-12; AS-13345; BE164412; H951; HY-66009; SMR000414799; BCP0726000053; E0906; SW219826-1; D01688; AB00647195_06; 159E099; Q5382029; [5-(2-Methyl-3-phenyl-allylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-acetic acid; 2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid; (5-[(e)-2-methyl-3-phenyl-prop-2-en-(z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl)-acetic acid 82159-; {(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid; 2-[(5Z)-5-[(E)-3-phenil-2-methylprop-2-enylidene]-4-oxo-2-thioxo-3-thiazolidinyl]acetic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31539	DB15293	.	.	319.4	C15H13NO3S2	115	519	3.8	21	1	5	4	"1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-"	C/C(=C\\C1=CC=CC=C1)/C=C\\2/C(=O)N(C(=S)S2)CC(=O)O	CHNUOJQWGUIOLD-NFZZJPOKSA-N
DG01076	Unithiol	2724039	"Unithiol; 4076-02-2; Sodium 2,3-dimercapto-1-propanesulfonate; DMPS; Sodium 2,3-dimercaptopropane-1-sulfonate; UNITIOL; Dimaval; 1-Propanesulfonic acid, 2,3-dimercapto-, monosodium salt; sodium 2,3-dimercaptopropanesulfonate; sodium;2,3-bis(sulfanyl)propane-1-sulfonate; 2,3-Dimercapto-1-propanesulfonic acid sodium salt; sodium 2,3-disulfanylpropane-1-sulfonate; Sodium 2,3-dimercaptopropanesulphonate; Unithiolum; Sodium 2,3-dithiolpropanesulfonate; EINECS 223-796-3; 2,3-Dimercaptopropane sodium sulphonate; (+)-Dmps; (-)-Dmps; sodium 2,3-bis(sulfanyl)propane-1-sulfonate; C3H7O3S3Na; 2,3-Dimercaptopropanesulfonic acid sodium salt; C3H7NaO3S3.H2O; SCHEMBL164318; NIOSH/TZ6420050; NIOSH/TZ6420100; DTXSID40958410; AMY22488; MFCD00007523; STL372655; AKOS015898653; AKOS015967317; AS-64437; P323; 2,3-DIMERCAPTOPROPANESULFONIC SODIUM; DB-049647; FT-0609675; TZ64200500; TZ64201000; H10946; A923350; (+)-2,3-Dimercapto-1-propanesulfonate sodium salt; (-)-2,3-Dimercapto-1-propanesulfonate sodium salt; d-2,3-Dimercapto-1-propanesulfonic acid sodium salt; l-2,3-Dimercapto-1-propanesulfonic acid sodium salt; Q-201912; Q26841293; 207233-91-8 (. H2O); 1-Propanesulfonic acid, 2,3-dimercapto-, sodium salt, (+)-; 1-Propanesulfonic acid, 2,3-dimercapto-, sodium salt, (-)-; 37260-06-3"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	210.3	C3H7NaO3S3	67.6	160	.	10	2	5	3	"1S/C3H8O3S3.Na/c4-9(5,6)2-3(8)1-7;/h3,7-8H,1-2H2,(H,4,5,6);/q;+1/p-1"	C(C(CS(=O)(=O)[O-])S)S.[Na+]	FGGPAWQCCGEWTJ-UHFFFAOYSA-M
DG01080	Maraviroc	3002977	"Maraviroc; 376348-65-1; Selzentry; Celsentri; UK-427857; UK-427,857; UK 427857; UNII-MD6P741W8A; MD6P741W8A; CHEMBL256907; 4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide; MVC; CHEMBL1201187; CHEBI:63608; NCGC00183109-02; 4,4-difluoro-N-((1S)-3-((1R,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide; Celsentri(TM); Selzentry(TM); [3H]maraviroc; 4,4-difluoro-N-((1S)-3-((1R,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide; 4,4-Difluoro-N-[(1s)-3-{(3-Exo)-3-[3-Methyl-5-(Propan-2-Yl)-4h-1,2,4-Triazol-4-Yl]-8-Azabicyclo[3.2.1]oct-8-Yl}-1-Phenylpropyl]cyclohexanecarboxamide; PRO 140 & Maraviroc; maravirocum; Maraviroc [INN:BAN:JAN]; Rel-Maraviroc; C29H41F2N5O; HSDB 8021; 4,4-difluoro-N-[(1S)-3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenyl-propyl]cyclohexanecarboxamide; UK-427,857 maraviroc (MVC); [3H]UK 427,857; [3H]UK-427,857; (non-labelled)Maraviroc-d6; DSSTox_CID_28875; DSSTox_RID_83144; DSSTox_GSID_48949; SCHEMBL51991; GTPL803; GTPL806; Cyclohexanecarboxamide, 4,4-difluoro-N-((1S)-3-((3-exo)-3-(3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl)-8-azabicyclo(3.2.1)oct-8-yl)-1-phenylpropyl)-; Isopropyl, 4,4-difluoro-N-((1S)-3-{(1R,3s,5S)-3-(3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl)-8-azabicyclo(3.2.1)octan-8-yl}-1-phenylpropyl)cyclohexanecarboxamide; MLS006011960; CHEMBL584744; SCHEMBL2177194; SCHEMBL4576508; Maraviroc, >=98% (HPLC); EX-A200; CHEBI:184662; AMY12578; ZINC3817234; Tox21_113369; AC-558; BDBM50334986; BDBM50464147; MFCD13188530; AKOS025402143; AKOS032960315; ZINC100003902; ZINC101160855; CS-0366; DB04835; MCULE-2702173987; NCGC00183109-01; 4,4-Difluoro-N-[(1S)-3-[(3-exo)-3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]cyclohexanecarboxamide; AS-75265; exo-4,4-Difluoro-N-[3-[3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1(S)-phenylpropyl]cyclohexanecarboxamide; HY-13004; PRO 140 (Anti-CCR5 monoclonal antibody) & exo-4,4-Difluoro-N-[3-[3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1(S)-phenylpropyl]cyclohexanecarboxamide; SMR004703532; CAS-376348-65-1; X5004; 348M651; Q421369; SR-01000942244; J-521678; SR-01000942244-1; BRD-A23284911-001-02-4; Z1618161028; 4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1S,5S)-3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl}-amide; 4,4-difluoro-N-((1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide; 4,4-Difluoro-N-((S)-3-((1R,3R,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide; 4,4-difluoro-N-((S)-3-((1S,3R,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide; 4,4-difluoro-N-((S)-3-((1S,3S,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide; 4,4-difluoro-N-((S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide; 4,4-difluoro-N-[(1S)-3-[(1R,3S,5S)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide; 4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenyl-propyl]cyclohexanecarboxamide; 4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide; 4,4-Difluoro-N-[(1S)-3-[(1R,5S)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboximidic acid; 4,4-difluoro-N-{(1S)-3-[(3-exo)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl}cyclohexanecarboxamide; 4,4-diluoro-N-[(1S)-3-[(1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide; Cyclohexanecarboxamide,4,4-difluoro-N-[(1S)-3-[(3-exo)-3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]-; MRV"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63608	DB04835	DR00730	.	513.7	C29H41F2N5O	63	751	5.1	37	1	6	8	"1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25 ,26-/m0/s1"	CC1=NN=C(N1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C	GSNHKUDZZFZSJB-HLMSNRGBSA-N
DG01082	Dezocine	3033053	"DEZOCINE; Dalgan; 53648-55-8; Dezocina; Dezocinum; Dezocinum [INN-Latin]; Dezocina [INN-Spanish]; UNII-VHX8K5SV4X; Wy-16225; VHX8K5SV4X; CHEMBL1685; CHEBI:4474; (-)-13beta-Amino-5,6,7,8,9,10,11alpha,12-octahydro-5alpha-methyl-5,11-methanobenzocyclodecen-3-ol; Wy-16,225; (1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol; Dezocine [USAN:INN]; Docozine; Dozocine; Dezocine (USAN); Dalgan (TN); WY 16225; WY 16,225; SCHEMBL3072; DTXSID2022911; (5R,11S,13S)-13-amino-5-methyl-5,6,7,8,9,10,11,12-octahydro-5,11-methanobenzo[10]annulen-3-ol; BDBM50276568; AKOS016014025; DB01209; C08010; D00838; Q1109018; (1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.0^{2,7}]pentadeca-2,4,6-trien-4-ol; 13-Amino-5,6,7,8,9,10,11,12-octahydro-5-methyl-5,11-methanobenzocyclodecenol; (5R,11S,13S)-13-amino-5-methyl-5,6,7,8,9,10,11,12-octahydro-5,11-methanobenzocyclodecen-3-ol; 5,11-Methanobenzocyclodecen-3-ol, 13-amino-5,6,7,8,9,10,11,12-octahydro-5-methyl-, (5alpha,11alpha,13S*)-, (-)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4474	DB01209	.	.	245.36	C16H23NO	46.2	306	3.7	18	2	2	0	"1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1"	C[C@]12CCCCC[C@H]([C@@H]1N)CC3=C2C=C(C=C3)O	VTMVHDZWSFQSQP-VBNZEHGJSA-N
DG01090	Sitagliptin	4369359	"Sitagliptin; 486460-32-6; Januvia; Xelevia; MK-0431; (R)-3-AMINO-1-(3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE; UNII-QFP0P1DV7Z; Tesavel; LEZ763; QFP0P1DV7Z; (3R)-3-AMINO-1-[3-(TRIFLUOROMETHYL)-5H,6H,7H,8H-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7-YL]-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE; (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE; 790712-60-6; CHEBI:40237; Sitagliptan; MK0431; Sitagliptin (Prop.INN); sitagliptina; sitagliptine; sitagliptinum; SR-05000001748; HSDB 7516; LEZ 763; (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE; Sitagliptin (13); (3R)-3-Amino-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; Sitagliptin; MK0431; 1169707-31-6; EC 690-730-1; CHEMBL1422; SCHEMBL17783; BSPBio_002262; Triazolopiperazine Analogue 1; (3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; MLS006011959; Sitagliptin [USAN:INN:BAN]; GTPL6286; BDBM11162; C16H15F6N5O; AMY6930; DTXSID70197572; LEZ-763; 1x70; HMS2093F20; ACT02665; EX-A2816; Sitagliptin (Metformin,MK-0431); WHO 8692; ZINC1489478; MFCD09838015; NSC813215; AKOS015888724; CCG-268731; DB01261; MCULE-2101761133; NSC-813215; NCGC00178734-03; NCGC00178734-06; NCGC00178734-13; 7-((3R)-3-Amino-1-oxo-4-(2,4,5-trifluorophenyl)buyl)-5,6,7,8-tetrahydro-3-trifluoromethyl)-1,4-triazolo(4,3-a); AS-19118; HY-13749; SMR002546724; SBI-0206871.P001; Sitagliptin 100 microg/mL in Acetonitrile; S5079; X4663; A14377; A25516; D08516; AB01563393_01; AR-270/43507782; Q419832; Q-101366; Q-201711; SR-05000001748-1; BRD-K19416115-001-01-2; BRD-K19416115-001-03-8; Z1541638523; (1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorobenzyl)propylamine; (2r)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a] pyrazin-7(8h)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine; (2r)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]-1-(2,4,5-trifluorophenyl)butan-2-a; (2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-alpha]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine; (3r)-3-amino-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-5h-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; (3R)-3-amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,4-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one hydrochloride; (R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine; 1,2,4-Triazolo(4,3-a)pyrazine, 7-((3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl)-5,6,7,8-tetrahydor-3-(trifluoromethyl)-; 1,2,4-Triazolo[4,3-a]pyrazine,7-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-; 3-oxo-1-(2,4,5-trifluorobenzyl)-3-(3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)propylamine; 7-[(3r)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01261	DR00254	DR1490	407.31	C16H15F6N5O	77	566	0.7	28	1	10	4	"1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1"	C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N	MFFMDFFZMYYVKS-SECBINFHSA-N
DG01092	Tolcapone	4659569	"Tolcapone; 134308-13-7; Tasmar; Ro 40-7592; 3,4-Dihydroxy-4'-methyl-5-nitrobenzophenone; (3,4-Dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone; (3,4-dihydroxy-5-nitrophenyl)(p-tolyl)methanone; (3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone; Ro-40-7592; UNII-CIF6334OLY; Methanone, (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)-; MFCD00866569; CHEMBL1324; CIF6334OLY; CHEBI:63630; Ro-407592; NCGC00181767-01; 3,4-dihydroxy-5-nitro-4'-methylbenzophenone; 4'-methyl-3,4-dihydroxy-5-nitrobenzophenone; DSSTox_CID_3685; DSSTox_RID_77146; DSSTox_GSID_23685; Talcapone; Tasmar (TN); CCRIS 7904; CAS-134308-13-7; Tolcapone [USAN:USP:INN:BAN]; Tolcapone- Bio-X; TCW; Tolcapone (JAN/USP/INN); SCHEMBL33869; MLS006012044; BIDD:GT0032; GTPL6646; DTXSID3023685; Tolcapone, >=98% (HPLC); Methanone,(3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)-; 3s68; HMS2089K14; HMS3652M17; HMS3715D16; HMS3872F03; HMS3885G18; BCP09156; Tox21_112963; Tox21_302414; 3,4-dihydroxy-4 inverted exclamation mark -methyl-5-nitrobenzophenone; AC-791; BDBM50108877; s4021; ZINC35342789; AKOS015902328; Tox21_112963_1; AS-7085; CCG-221217; CS-1173; DB00323; KS-1314; NCGC00181767-02; NCGC00181767-03; NCGC00255188-01; BT164481; HY-17406; SMR001614567; SY102278; DB-013561; FT-0631149; SW219511-1; C07949; D00786; O10068; AB01275441-01; AB01275441_02; (3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone; 308T137; Q413840; SR-05000001444; Q-201840; SR-05000001444-1; BRD-K10852020-001-01-1; 5-[(4-METHYLPHENYL)CARBONYL]-3-NITROBENZENE-1,2-DIOL; Tolcapone, United States Pharmacopeia (USP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63630	DB00323	.	.	273.24	C14H11NO5	103	372	3.3	20	2	5	2	"1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3"	CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]	MIQPIUSUKVNLNT-UHFFFAOYSA-N
DG01096	Pyrvinium	5281035	"PYRVINIUM; Pyrvinum; 7187-62-4; pyrvinium (cation); HSDB 3178; UNII-6B9991FLU3; CHEBI:8687; 6B9991FLU3; 2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine; Pyrvinium ion; Pyrvinium cation; pyrvinium-pamoate; Pyrvinum (base); 6-(Dimethylamino)-2-(2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl)-1-methylquinolinium; CHEMBL1201303; DTXSID2043795; ZINC3831401; DB06816; Quinolinium, 6-(dimethylamino)-2-(2-(2,5-dimethyl-1-phenylpyrrol-3-yl)vinyl)-1-methyl-; Quinolinium, 6-(dimethylamino)-2-(2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl)-1-methyl-; C07412; AB00053809_02; Q264039; 2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-N,N,1-trimethyl-quinolin-1-ium-6-amine; 6-(dimethylamino)-2-[(E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-1-methylquinolinium"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8687	DB06816	.	.	382.5	C26H28N3+	12	552	5.9	29	0	1	4	"1S/C26H28N3/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5/h6-18H,1-5H3/q+1"	CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C	QMHSXPLYMTVAMK-UHFFFAOYSA-N
DG01101	Midecamycin	5282169	"Midecamycin; Rubimycin; Espinomycin A; Platenomycin B1; Turimycin P3; Medecamycin A1; Mydecamycin; 35457-80-8; Midecamycin A1; Medemycin; UNII-N34Z0Y5UH7; Antibiotic SF 837; N34Z0Y5UH7; SF 837; Madecacine; Midecamicina; Midecamycine; Midecamycinum; YL 704 B1; Macro-Dil; Antibiotic SF-837; Turimycin P(sub 3); Midecamycin A(sub 1); Antibiotic SF 837 A1; Antibiotic YL 704 B1; Midecamycine [INN-French]; Midecamycinum [INN-Latin]; NSC 154011; Midecamicina [INN-Spanish]; Midecamycin [INN:DCF:JAN]; Midecamycin,(S); Medemycin (TN); NCGC00016830-01; EINECS 252-578-0; CAS-35457-80-8; Midecamycin (JP17/INN); DSSTox_CID_25463; DSSTox_RID_80894; DSSTox_GSID_45463; SCHEMBL141581; CHEMBL444963; DTXSID5045463; CHEBI:31845; C41H67NO15; (4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-(((2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-(((2S,4R,5S,6S)-4-hydroxy-4,6-dimethyl-5-(propionyloxy)tetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-4-yl propionate; ACT02621; HY-B1908; Tox21_110635; s5560; AKOS022185298; ZINC169368401; CCG-270507; CS-5909; DB13456; Leucomycin V, 3,4(sup B)-dipropanoate; Leucomycin V, 3,4B-dipropanoate (9CI); D01339; H10500; Midecamycin), Antibiotic for Culture Media Use Only; Q2636110; W-106669; 7-(Formylmethyl)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranoside 4',4''-dipropionate (ester); 7-(Formylmethyl)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranoside 4',4'-dipropionate (ester)"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:31845	DB13456	.	.	814	C41H67NO15	206	1360	2.6	57	3	16	14	"1S/C41H67NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3/b14-13+,17-15+/t23-,24-,25-,26+,27+,28+,29-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1"	CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)O)C	DMUAPQTXSSNEDD-QALJCMCCSA-N
DG01119	Nabilone	5284592	"Nabilone; 51022-71-0; CHEMBL947; (6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one; Lilly 109514; Nabilona; Nabilonum; Nabilonum [Latin]; Nabilona [Spanish]; Nabilone [USAN:INN:BAN]; CPD 109514; CPD-109514; 9H-Dibenzo(b,d)pyran-9-one, 3-(1,1-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-, (6aR,10aR)-rel-; 9H-Dibenzo[b,d]pyran-9-one, 3-(1,1-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-, (6aR,10aR)-rel-; Cesamet (TN); (-)-Nabilone; ( )-Nabilone; Nabilone (USAN/INN); SCHEMBL33339; DEA No. 7379; DTXSID8023341; DTXSID401015800; ZINC1542930; BDBM50287941; Nabilone, solid, >=98% (HPLC); DB00486; (+-)-3-(1,1-Dimethylheptyl)-6,6abeta,7,8,10,10aalpha-hexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo(b,d)pyran-9-one; (+-)-trans-3-(1,1-Dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-6H-dibenzo(b,d)pyran-9-on; (+-)-trans-3-(1,1-Dimethylheptyl-7,8,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-6H-dibenzo(b,d)pyran-9(6aH)-on; D05099; N-0100; 022N710; Q419079; UNII-2N4O9L084N component GECBBEABIDMGGL-RTBURBONSA-N; (+-)-trans-3-(1,1-Dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo(b,d)pyran-9-one; (-)-trans-1-hydroxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]-pyran-9-one; (-)-trans-1-Hydroxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-one; (-)-trans-3-(1,1-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-9h-dibenzo[b,d]pyran-9-one; (6AR,10AR)-1-HYDROXY-6,6-DIMETHYL-3-(2-METHYLOCTAN-2-YL)-6H,6AH,7H,8H,9H,10H,10AH-BENZO[C]ISOCHROMEN-9-ONE; (6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6H-benzo[c]chromen-9(6aH)-one; (6aR,10aR)-3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-benzo[c]chromen-9-one; (6aR,10aR)-3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one; 61617-09-2; 9H-Dibenzo(b,d)pyran-9-one, 3-(1,1-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-, trans-, (+-)-; trans-1-hydroxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]-pyran-9-one; trans-1-hydroxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-one; trans-3-(1',1'-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo[b,d]pyran-9-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00486	.	.	372.5	C24H36O3	46.5	524	6.4	27	1	3	6	"1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1"	CCCCCCC(C)(C)C1=CC(=C2[C@@H]3CC(=O)CC[C@H]3C(OC2=C1)(C)C)O	GECBBEABIDMGGL-RTBURBONSA-N
DG01121	Oxycodone	5284603	"Oxycodone; Dihydrone; Dihydrohydroxycodeinone; Oxycodeinone; Dihydroxycodeinone; Oxicon; Diphydrone; Eucodalum; Oxycodon; Percobarb; Roxicodone; Oxycontin; 76-42-6; Dihydro-14-hydroxycodeinone; (-)-14-Hydroxydihydrocodeinone; Oxicodona; Oxycodonum; Oxycodonum [INN-Latin]; Oxicodona [INN-Spanish]; Percodan; Xtampza; Codeinone, dihydrohydroxy-; Codeinone, dihydro-14-hydroxy-; PTI-821; 4,5alpha-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one; UNII-CD35PMG570; Oxicone; 4,5-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one; 14-Hydroxydihydrocodeinone; Oxanest; Endone; CD35PMG570; CHEBI:7852; Oxyfast; Supendol; PF-00345439; OxyIR; Eubine [France]; NSC-19043; Tekodin (free base); Supendol [Canada]; Endine (Australia); Ossicodone [DCIT]; Ossicodone; NSC 19043; Codeinone, 7,8-dihydro-14-hydroxy-; Oxycodone Concentrate; Oxycodone [USAN:INN:BAN]; Dihydrohydroxycondeinone; Avridi; Oxyneo; Pancodone Retard; Pancodone retard (United Kingdom); Xtampza ER; Apo-oxycodone CR; (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one; (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one; (-)-Oxycodone; CHEMBL656; HSDB 3142; Oxycodone (USAN/INN); EINECS 200-960-2; oxymorphone 3-methyl ether; BRN 0043446; Pavinal; 4,5.alpha.-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one; Oxycodone cii; N02AA05; Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5alpha)-; Morphinan-6-one, 4,5alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-; SCHEMBL2737; Pti 821; GTPL7093; IDS-NO-002; PF06; DTXSID5023407; Codeinone,8-dihydro-14-hydroxy-; Oxycodone 0.1 mg/ml in Methanol; Oxycodone 1.0 mg/ml in Methanol; ZINC403533; 14-hydroxy-3-methoxy-17-methyl-4,5alpha-epoxymorphinan-6-one; NSC19043; BDBM50370595; Morphinan-6-one, 4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-; (5alpha)-14-hydroxy-17-methyl-3-(methyloxy)-4,5-epoxymorphinan-6-one; DB00497; AC-16043; C08018; D05312; Q407535; Morphinan-6-one,5.alpha.-epoxy-14-hydroxy-3-methoxy-17-methyl-; Morphinan-6-one, 4,5alpha-epoxy-14-hydroxy-3-methoxy-17-methyl- (8CI); Morphinan-6-one,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5.alpha.)-; WLN: T B6566 B6/CO 4ABBC R BX FV HO PN GHT&&TTJ CQ JO1 P1; 4aH-8,5-bcd]furan-5(6H)-one, 7,7a,8,9-tetrahydro-7a-hydroxy-3-methoxy-12-methyl-; Oxycodone solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; (1S,5R,13R,17S)-17-hydroxy-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7852	DB00497	DR00392	.	315.4	C18H21NO4	59	553	1.2	23	1	5	1	"1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1"	CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O	BRUQQQPBMZOVGD-XFKAJCMBSA-N
DG01143	Butorphanol	5361092	"Butorphanol; Butorfanol; Butorphanol tartrate; Butorphanolum; 42408-82-2; levo-BC-2627; (-)-butorphanol; 17-(CYCLOBUTYLMETHYL)MORPHINAN-3,14-DIOL; Butorphanol (free base); (-)-17-(Cyclobutylmethyl)morphinan-3,14-diol; UNII-QV897JC36D; Butorfanol [INN-Spanish]; Butorphanolum [INN-Latin]; (-)-N-cyclobutylmethyl-3,14-dihydroxymorphinan; CHEMBL33986; CHEBI:3242; QV897JC36D; l-BC 2627; DEA No. 9720; Morphinan-3,14-diol, 17-(cyclobutylmethyl)-; (1S,9R,10S)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol; EINECS 255-808-8; Butorphanol (USAN/INN); Butorphanol [USAN:INN:BAN]; L-3,14-dihydroxy-N-(cyclobutylmethyl)morphinan; SCHEMBL3749; BIDD:GT0549; GTPL7591; DTXSID1022714; 42408-82-2 (free base); ZINC3812988; BDBM50240437; N-cyclobutylmethyl-3,14-dihydroxymorphinan; L-N-Cyclobutylmethyl-3,14-dihydroxymorphinan; C06863; D03197; J-504151; Q-200770; Q1185089; (1S,9R,10S)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-triene-4,10-diol; (4bS,8aS,9R)-11-(cyclobutylmethyl)-5,6,7,8,9,10-hexahydro-8aH-9,4b-(epiminoethano)phenanthrene-3,8a-diol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3242	DB00611	.	.	327.5	C21H29NO2	43.7	492	3.8	24	2	3	2	"1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1"	C1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CCC5)C=C(C=C4)O)O	IFKLAQQSCNILHL-QHAWAJNXSA-N
DG01145	Perchlozone	5374694	ISONICOTINALDEHYDE THIOSEMICARBAZONE; 4-Formylpyridine thiosemicarbazone; UNII-W2L5NM3ECQ; W2L5NM3ECQ; NSC 731; EINECS 214-848-6; BRN 0132697; perchlozone; Pyridine-4-carboxaldehyde thiosemicarbazone; AI3-52028; pyridine-4-carbaldehyde thiosemicarbazone; [(Z)-pyridin-4-ylmethylideneamino]thiourea; 5-21-07-00360 (Beilstein Handbook Reference); ZINC1587565	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	180.23	C7H8N4S	95.4	174	0.1	12	2	3	2	"1S/C7H8N4S/c8-7(12)11-10-5-6-1-3-9-4-2-6/h1-5H,(H3,8,11,12)/b10-5-"	C1=CN=CC=C1/C=N\\NC(=S)N	QTSJJDIDTYFLFC-YHYXMXQVSA-N
DG01148	Nitrofurazone	5447130	"Nitrofurazone; Nitrofural; 59-87-0; Furacilin; Furacin; Furacillin; Actin-N; Aldomycin; Furacine; Furaldon; Nifuzon; 5-Nitro-2-furaldehyde semicarbazone; Babrocid; Chemofuran; Furacinetten; Furacoccid; Furacycline; Furaplast; Furaziline; Furazone; Mastofuran; Monafuracin; Nitrofurazan; Nitrozone; Otofuran; Alfucin; Amifur; Furesol; Mammex; Furazol W; 5-Nitrofurfural semicarbazone; Becafurazone; Biofuracina; Dermofural; Furametral; Furaseptyl; Furatsilin; Fuvacillin; Monafuracis; Monofuracin; Nitrofurol; Biofurea; Cocafurin; Coxistat; Dynazone; Eldezol; Fedacin; Flavazone; Fracine; Furacort; Furaderm; Furagent; Furalone; Furaskin; Furazin; Furazina; Furazyme; Furfurin; Furosem; Hemofuran; Ibiofural; Nifucin; Nifurid; Otofural; Sanfuran; Vabrocid; Vadrocid; Yatrocin; Chixin; Nefco; 5-Nitrofurazone; Furan-Ofteno; Spray-Dermis; Spray-Foral; Furacin-Hc; Nitrofuralum; Eldezol F-6; Furacilinum; Nitrofurane; Furacin-E; Nitrofuraldehyde semicarbazone; (5-Nitro-2-furfurylidenamino)urea; 5-Nitrofuraldehyde semicarbazide; Usaf ea-4; Rivafurazon; Fura-septin; Veterinary nitrofurazone; Nitrofuran (bactericide); NF-7; 6-Nitrofuraldehyde semicarbazide; 5-Nitro-2-furfural semicarbazone; 1-(5-Nitro-2-furfurylidene)semicarbazide; NSC-2100; 5-Nitrofuran-2-aldehyde semicarbazone; 5-Nitro-2-furfuraldehyde semicarbazone; NCI-C56064; 5-Nitro-2-furancarboxaldehyde semicarbazone; NFZ; UNII-X8XI70B5Z6; Nitrofural [INN]; Semikarbazon 5-nitrofurfuralu; Hydrazinecarboxamide, 2-[(5-nitro-2-furanyl)methylene]-; MFCD00003225; U-6421; 2-Furaldehyde, 5-nitro-, semicarbazone; 5-nitrofuran-2-carbaldehyde semicarbazone; 2-[(5-Nitro-2-furanyl)methylene]-hydrazinecarboxamide; X8XI70B5Z6; NFS; 2-Furancarboxaldehyde, 5-nitro-, semicarbazone; NSC1602; NSC2100; component of Furea; (5-Nitro-2-furfurylideneamino)urea; Nitrofural (INN); NSC-1602; component of Furadex; component of Furacort; Hydrazinecarboxamide, 2-((5-nitro-2-furanyl)methylene)-; NCGC00090686-04; NCGC00090686-07; Nitrofurazonum; DSSTox_CID_944; [(E)-(5-nitrofuran-2-yl)methylideneamino]urea; DSSTox_RID_75881; DSSTox_GSID_20944; 2-((5-Nitrofuran-2-yl)methylene)hydrazinecarboxamide; 2-[(5-Nitro-2-furanyl)methylene]hydrazinecarboxamide; WLN: T5OJ BNW E1UNMVZ; (2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinecarboxamide; Dymazone; Furalcyn; Acutol; 2-Furancarboxaldehyde, semicarbazone; Rivopon-5; SR-05000002027; 2-((5-Nitro-2-furanyl)methylene)hydrazinecarboxamide; Nitrofuralum [INN-Latin]; CHEBI:44368; CCRIS 1195; Nitrofurazone [USP:INN:BAN]; Nfz mix; HSDB 3136; CAS-59-87-0; NSC 1602; NSC 2100; Prestwick_806; 2-[(5-nitro-2-furyl)methylene]hydrazinecarboxamide; EINECS 200-443-1; Furacin (TN); 2((5-Nitro-2-furanyl)methylene)hydrazinecarboxamide; Nitrofurazone (USP); Semikarbazon 5-nitrofurfuralu [Polish]; BRN 0086403; AI3-17333; [(E)-(5-nitro-2-furyl)methyleneamino]urea; Prestwick2_000492; Prestwick3_000492; Spectrum5_001160; Nitrofurazone (Nitrofural); CHEMBL869; SCHEMBL25416; SCHEMBL25417; BSPBio_000383; BSPBio_002075; MLS002153843; SPECTRUM1500434; BPBio1_000423; component of Furea (Salt/Mix); component of Furadex (Salt/Mix); HMS502G20; (E)-2-((5-nitrofuran-2-yl)methylene)hydrazine-1-carboxamide; HMS1569D05; HMS1920B04; HMS2091J04; HMS2096D05; HMS3713D05; Pharmakon1600-01500434; HY-B0226; ZINC4802968; Tox21_110997; Tox21_202988; Tox21_400035; BDBM50420350; CCG-39642; NSC757244; s1644; STK741625; 1-(5-Nitrofurfurylidene)semicarbazide; 5-Nitro-2-furaldehyde, semicarbazone; 5-Nitro-2-furfurylidene semicarbazone; AKOS000304771; Tox21_110997_1; DB00336; LS41202; MCULE-5485227436; NSC-757244; IDI1_000778; NCGC00090686-01; NCGC00090686-02; NCGC00090686-03; NCGC00090686-05; NCGC00090686-06; NCGC00090686-08; NCGC00090686-11; NCGC00260533-01; 112574-44-4; AC-10331; BS-42205; H823; Semioxamazide, 1-(5-nitrofurfurylidene)-; SMR000059012; SBI-0051458.P003; AB00373885; N0200; C08042; D00862; AB00373885-04; AB00373885_05; AB00373885_06; Structure of 5-nitro-2-furaldehyde-semicarbazone; [(E)-[(5-nitrofuran-2-yl)methylidene]amino]urea; Q-201480; SR-05000002027-1; SR-05000002027-3; BRD-K79092138-001-05-2; BRD-K79092138-001-06-0; 5-Nitro-2-furaldehyde semicarbazone, >=97.0% (HPLC); Nitrofural, European Pharmacopoeia (EP) Reference Standard; Nitrofurazone, United States Pharmacopeia (USP) Reference Standard; Nitrofural for peak identification, European Pharmacopoeia (EP) Reference Standard; Nitrofurazone solution, 100 mug/mL in acetonitrile, VETRANAL(TM), analytical standard; Nitrofurazone, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:44368	.	.	DR1168	198.14	C6H6N4O4	126	261	0.2	14	2	5	2	"1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+"	C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)N	IAIWVQXQOWNYOU-FPYGCLRLSA-N
DG01155	Proguanil	6178111	"Proguanil; Chloroguanide; Chlorguanide; Chlorguanid; Paludrin; Bigumal; 500-92-5; Proguanilum; 1-(p-Chlorophenyl)-5-isopropylbiguanide; Paludrine; N1-p-Chlorophenyl-N5-isopropylbiguanide; 1-Isopropyl-5-(4-chlorophenyl)biguanide; UNII-S61K3P7B2V; CHEBI:8455; N-(4-Chlorophenyl)-N'-(isopropyl)-imidodicarbonimidic diamide; Imidodicarbonimidic diamide, N-(4-chlorophenyl)-N'-(1-methylethyl)-; N1-(4-Chlorophenyl)-N5-isopropylbiguanide; S61K3P7B2V; BIGUANIDE, 1-(p-CHLOROPHENYL)-5-ISOPROPYL-; Proguanile [DCIT]; Proguanile; N-(4-chlorophenyl)-N'-(propan-2-yl)imidodicarbonimidic diamide; N-(4-Chlorophenyl)-N'-(1-methylethyl)imidodicarbonimidic diamide; Proguanil [INN:BAN]; RP-3359; Proguanilum [INN-Latin]; (hydrochloride); Tirian (hydrochloride); Palusil (hydrochloride); Diguanyl (hydrochloride); Drinupal (hydrochloride); NCGC00016528-01; CAS-637-32-1; Paludrine (hydrochloride); EINECS 207-915-6; M-4888 (hydrochloride); BRN 2811599; SN-12837 (hydrochloride); MFCD00866201; Proguanil (INN); NSC12977; Spectrum_001588; SpecPlus_000667; Prestwick0_000999; Prestwick1_000999; Prestwick2_000999; Prestwick3_000999; Spectrum2_001135; Spectrum3_001659; Spectrum4_000622; Spectrum5_001384; CHEMBL1377; SCHEMBL45726; BSPBio_001097; BSPBio_003417; KBioGR_001204; KBioSS_002068; 4-12-00-01198 (Beilstein Handbook Reference); BIDD:GT0576; DivK1c_006763; SPBio_001029; SPBio_002988; BPBio1_001207; DTXSID3022794; SCHEMBL16894670; SCHEMBL17300525; KBio1_001707; KBio2_002068; KBio2_004636; KBio2_007204; KBio3_002637; HY-B0806; (4-chlorphenyl)-5-isopropylbiguanid; BDBM50227829; s5927; CS-6234; DB01131; N'-4-chlorophenyl-n5-isopropylbiguanide; NCGC00016528-02; NCGC00016528-03; CS-12345; SBI-0052839.P002; AB00053776; V0783; C07631; D08428; AB00053776_05; A901482; BRD-K28183345-003-05-6; BRD-K28183345-003-07-2; 1-(4-Chlorophenyl)-3-(N-isopropylcarbamimidoyl)guanidine; 1-(4-chlorophenyl)-5-isopropylbiguanide;N1-(4-Chlorophenyl)-N5-isopropylbiguanide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8455	DB01131	.	DR1347	253.73	C11H16ClN5	88.8	292	1.5	17	3	1	4	"1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)"	CC(C)N=C(N)/N=C(\\N)/NC1=CC=C(C=C1)Cl	SSOLNOMRVKKSON-UHFFFAOYSA-N
DG01156	Rifamycin	6324616	"RIFAMYCIN; Rifamycin SV; Rifocin; Rifamicine SV; Rifomycin SV; Rifamicina; Rifamycine; Rifamycinum; Rifocyn; 6998-60-3; CB-01-11; UNII-DU69T8ZZPA; DU69T8ZZPA; CHEBI:29673; 6998-60-3 (free acid); M-14; Aemcolo; Rifamycine [INN-French]; Rifamycinum [INN-Latin]; Rifamicina [INN-Spanish]; (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-Pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate; RIFOMYCIN; C37H47NO12; 15105-92-7; EINECS 230-273-3; Tuborin; rifamycin-sv; NSC133100; Rifamycin [USAN:INN:BAN:DCF]; Rifamycin (USAN/INN); SCHEMBL151824; CHEMBL437765; GTPL4570; DTXSID1032014; 8248AH; BDBM50391000; LMPK05000005; AKOS024281286; ZINC169633673; DB11753; 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate; Rifamycin SV, an antibiotic produced by certain strains of Streptomyces mediterranei, or the same substance produced by any other means; D02549; SR-01000872597; SR-01000872597-1; (pentahydroxy-methoxy-heptamethyl-dioxo-[ ]yl) acetate; Q26270990; (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate; (7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25(29),26-octaen-13-yl acetate; (7S,11S,13S,17S,18S,12R,14R,15R,16R)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7 ,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1<4, 7>.0<5,28>]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate; [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate; 2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,11(2H)-dione, 21-(acetyloxy)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, (2S,16S,17S,18R,19R,20R,21S,22R,23S)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:29673	DB11753	DR00614	.	697.8	C37H47NO12	201	1330	4.9	50	6	12	3	"1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1"	C[C@H]1/C=C/C=C(\\C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C	HJYYPODYNSCCOU-ODRIEIDWSA-N
DG01158	Saralasin	6324663	"Saralasin; 34273-10-4; (Sar1,Val5,Ala8)-Angiotensin II; Sar-Arg-Val-Tyr-Val-His-Pro-Ala; UNII-H2AFV2HE66; CHEMBL938; H2AFV2HE66; (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid; Saralasina; Saralasine; Saralasinum; Saralasinum [INN-Latin]; Saralasin [INN:BAN]; Saralasine [INN-French]; Saralasina [INN-Spanish]; NCGC00166135-01; Angiotensin II, 1-(N-methylglycine)-5-L-valine-8-L-alanine-; SCHEMBL23; DSSTox_CID_26549; DSSTox_RID_81710; DSSTox_GSID_46549; 1-Sar-8-Ala-angiotensin II; DTXSID2046549; CHEBI:135894; (1-(N-Methylglycin) 5-L-valin, 8-L-alanin)angiotensin II; Tox21_112332; BDBM50009338; BDBM50229504; AKOS024456428; Sar-Arg-Val-Tyr-Val-His-Pro-Ala-OH; ZINC169289386; DB06763; NCGC00167316-01; N-(1-(N-(N-(N-(N-(N2-(N-methylglycly)-L-arginyl)-L-valyl)-L-tyrosyl)-L-valyl)-L-histidyl)-L-prolyl)-L-alanine; CAS-34273-10-4; Sar-Arg-Val-Tyr-Val-His-Pro-Ala (sarlasin); [Sar1-Arg2-Val3-Tyr4-Val5-His6-Pro7-Ala8]; Q410298; (S)-2-((S)-1-((6S,9S,12S,15S,18S)-18-((1H-imidazol-4-yl)methyl)-6-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9,15-diisopropyl-4,7,10,13,16-pentaoxo-2,5,8,11,14,17-hexaazanonadecane)pyrrolidine-2-carboxamido)propanoic acid; (S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(diaminomethyleneamino)-2-(2-(methylamino)acetamido)pentanamido)-3-methylbutanamido)-3-(4-hydroxyphenyl)propanamido)-3-methylbutanamido)-3-(1H-imidazol-5-yl)propanoyl)pyrrolidine-5-carboxamido)propanoic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135894	.	.	.	912	C42H65N13O10	358	1670	-2.6	65	12	13	25	"1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1"	C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC	PFGWGEPQIUAZME-NXSMLHPHSA-N
DG01165	Guggulsterone	6450278	"(Z)-Guggulsterone; Z-Guggulsterone; Guggulsterone; 39025-23-5; 95975-55-6; Guggulsterones Z; Guggulsterone E&Z; GUGGULSTERONE Z; Cis-Guggulsterone; UNII-6CST3U34GN; 6CST3U34GN; (Z)-Pregna-4,17(20)-diene-3,16-dione; Pregna-4,17(20)-diene-3,16-dione; (8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione; (17Z)-Pregna-4,17(20)-diene-3,16-dione; Gugulsterone; Guggulsterone, (Z)-; Pregna-4,17(20)-diene-3,16-dione, (17Z)-; Guggulsterones E&Z; GS; (E&Z)-Guggulsterone; DSSTox_CID_13539; DSSTox_RID_79083; DSSTox_GSID_33539; SCHEMBL141657; CHEMBL410683; DTXSID1033539; BDBM21725; CHEBI:135338; BCP18087; Tox21_202518; MFCD01310757; AKOS015963432; ZINC118912814; (Z)-Guggulsterone, analytical standard; AC-6215; CCG-267610; NCGC00091910-01; NCGC00260067-01; AC-28813; AS-79083; (17Z)-pregna-4,17-diene-3,16-dione; 4,17(20)-trans-Pregnadiene-3,16-dione; CAS-39025-23-5; HY-107738; CS-0029421; S3792; V2228; (Z)-Guggulsterone, >=89% (HPLC), powder; 2-(2-Aminothiazol-3(2H)-yl)-1-phenylethanone; 975G556; BRD-K26674531-001-01-3; Q27264514; UNII-A4PW148END component WDXRGPWQVHZTQJ-OSJVMJFVSA-N; Guggulsterone Z, United States Pharmacopeia (USP) Reference Standard; (1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,13-dione"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135338	.	.	.	312.4	C21H28O2	34.1	640	3.9	23	0	2	0	"1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1"	C/C=C/1\\C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C	WDXRGPWQVHZTQJ-OSJVMJFVSA-N
DG01166	Axitinib	6450551	"Axitinib; 319460-85-0; AG-013736; Inlyta; AG 013736; (E)-N-Methyl-2-((3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)thio)benzamide; UNII-C9LVQ0YUXG; AG-13736; AG013736; C9LVQ0YUXG; N-methyl-2-((3-((1E)-2-(pyridin-2-yl)ethenyl)-1H-indazol-6-yl)sulfanyl)benzamide; CHEBI:66910; (E)-N-methyl-2-(3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-ylthio)benzamide; N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide; MFCD09837898; NSC757441; N-methyl-2-({3-[(E)-2-(pyridin-2-yl)ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide; NSC-757441; NCGC00241108-01; S1005; DSSTox_CID_28975; DSSTox_RID_83240; DSSTox_GSID_49049; Axitinib (AG 013736); C22H18N4OS; N-methyl-2-({3-[(E)-2-(pyridin-2-yl)vinyl]-1H-indazol-6-yl}sulfanyl)benzamide; CAS-319460-85-0; axitinibum; Axitinib [USAN:INN:JAN]; 4agc; Inlyta (TN); AG13736; 4ag8; Axitinib (JAN/USAN); AG-013736;Axitinib; Axitinib,AG-013736; MLS006010164; SCHEMBL172918; GTPL5659; Axitinib, >=98% (HPLC); CHEMBL1289926; DTXSID3049049; N-methyl-2-[[3-[2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzamide; SCHEMBL22930506; BDBM25117; CHEBI:94568; EX-A337; QCR-109; SYN1014; BCPP000372; AOB87786; BCP01371; ZINC3816287; Tox21_113597; NSC799341; AKOS015902898; Tox21_113597_1; AC-1539; BCP9000345; CCG-264772; CS-0116; DB06626; KS-1448; NSC 757441; NSC-799341; Benzamide, N-methyl-2-((3-((E)-2-(2-pyridinyl)ethenyl)-1H-indazol-6-yl)thio)-; NCGC00241108-04; NCGC00241108-06; HY-10065; SMR002530046; AM20090673; SW219464-1; D03218; AB01274739-01; AB01274739_02; 460A850; SR-01000941566; J-502064; Q-200662; Q4830631; SR-01000941566-1; BRD-K29905972-001-01-4; BRD-K29905972-001-02-2; Benzamide, N-methyl-2-((3-((1E)-2-(2-pyridinyl)ethenyl)-1H-indazo)-6-yl)thio)-; Benzamide, N-methyl-2-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]-; N-Methyl-[[3[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]-benzamide; N-methyl-2-({3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-6-yl}sulfanyl)benzamide; N-METHYL-2-(3-((E)-2-PYRIDIN-2-YL-VINYL)-1H-INDAZOL-6-YLSULFANYL)-BENZAMIDE"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:66910	DB06626	DR00035	DR0162	386.5	C22H18N4OS	96	557	4.2	28	2	4	5	"1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+"	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N
DG01170	Delamanid	6480466	"Delamanid; 681492-22-8; OPC-67683; Delamanid (OPC-67683); UNII-8OOT6M1PC7; OPC 67683; (R)-2-Methyl-6-nitro-2-((4-(4-(4-(trifluoromethoxy)phenoxy)piperidin-1-yl)phenoxy)methyl)-2,3-dihydroimidazo[2,1-b]oxazole; 8OOT6M1PC7; MMV688262; (2R)-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole; (2R)-2,3-Dihydro-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]-1-piperidinyl]phenoxy]methyl]imidazo[2,1-b]oxazole; (2R)-2-Methyl-6-nitro-2-[(4-{4-[4-(trifluoromethoxy)phenoxy]-1-piperidinyl}phenoxy)methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole; (R)-2-methyl-6-nitro-2-{4-[4-(4-trifluoromethoxyphenoxy)piperidin-1-yl]phenoxymethyl}-2,3-dihydroimidazo[2,1-b]oxazole; (2R)-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]-1-piperidyl]phenoxy]methyl]-3H-imidazo[2,1-b]oxazole; (R)-2-methyl-6-nitro-2-(4-[4-(4-trifluoromethoxyphenoxy)piperidin-1-yl]phenoxymethyl}-2,3-dihydroimidazo[2,1-b]oxazole; Deltyba (TN); Delamanid (JAN/USAN); OPC-67683; Delamanid; SCHEMBL57791; Delamanid [USAN:INN:JAN]; CHEMBL218650; DTXSID60218326; CHEBI:134742; BCP07838; EX-A2414; MFCD18251539; NSC794689; s5007; ZINC43100810; AKOS025289781; CCG-269934; CS-5866; DB11637; NSC-794689; SB14863; NCGC00348214-01; (2R)-2-Methyl-6-nitro-2-((4-(4-(4-(trifluoromethoxy)phenoxy)piperidin-1- yl)phenoxy)methyl)-2,3-dihydroimidazo(2,1-b)oxazole; AS-56105; Delamanid; OPC 67683; OPC67683; HY-10846; Imidazo(2,1-b)oxazole, 2,3-dihydro-2-methyl-6-nitro-2-((4-(4-(4-(trifluoromethoxy)phenoxy)-1-piperidinyl)phenoxy)methyl)-, (2R)-; D09785; A856044; Q15408413; (2R)-2-Methyl-6-nitro-2-[4-[4-[4-(trifluoromethoxy)phenoxy]piperidino]phenoxymethyl]-2,3-dihydroimidazo[2,1-b]oxazole; [(2R)-2-methyl-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]-1-piperidyl]phenoxy]methyl]-3H-imidazo[2,1-b]oxazol-6-yl]azinic acid; 2-Methyl-6-nitro-2-[(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxy)methyl]-2,3-dihydroimidazo[2,1-b]oxazole, (2R)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:134742	.	.	DR0432	534.5	C25H25F3N4O6	104	795	5.6	38	0	11	7	"1S/C25H25F3N4O6/c1-24(15-31-14-22(32(33)34)29-23(31)38-24)16-35-18-4-2-17(3-5-18)30-12-10-20(11-13-30)36-19-6-8-21(9-7-19)37-25(26,27)28/h2-9,14,20H,10-13,15-16H2,1H3/t24-/m1/s1"	C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)OC5=CC=C(C=C5)OC(F)(F)F	XDAOLTSRNUSPPH-XMMPIXPASA-N
DG01172	Nifurtimox	6842999	"NIFURTIMOX; Lampit; Bayer 2502; 23256-30-6; Nifurtimoxum; BAY 2502; CHEBI:7566; BAYER-2502; BAY-A2502; BAY-2502; DNDI1613515; 4-Thiomorpholinamine, 3-methyl-N-((5-nitro-2-furanyl)methylene)-, 1,1-dioxide; 4-Thiomorpholinamine, 3-methyl-N-[(5-nitro-2-furanyl)methylene]-, 1,1-dioxide; Nifurtimox [INN:BAN]; 4-((5-Nitrofurfurylidene)amino)-3-methylthiomorpholine 1,1-dioxide; Nifurtimoxum [INN-Latin]; UNII-X4KCV4ZI9M; CCRIS 2201; X4KCV4ZI9M; UNII-1G5DD3P35C; SR-01000838852; EINECS 245-531-0; 1G5DD3P35C; 4-[(5-Nitrofurfurylidene)amino]-3-methylthiomorpholine 1,1-dioxide; ()-Nifurtimox; (-)-Nifurtimox; Nifurtimox, ()-; Lampit (TN); Nifurtimox, (+)-; Nifurtimox, (-)-; 4-((5-Nitrofurfurylidene)amino)-3-methylthiomorpholine-1,1-dioxide; Nifurtimox (USAN/INN); Prestwick2_001024; Prestwick3_001024; 1-((5-Nitrofurfurylidene)amino)-2-methyltetrahydro-1,4-thiazine-4,4-dioxide; 3-Methyl-N-[(5-nitro-2-furanyl)methylene]-4-thiomorpholinamine 1,1-dioxide; Tetrahydro-3-methyl-4-((5-nitrofurfurylidene)amino)-2H-1,4-thiazine 1,1-dioxide; BSPBio_001207; BPBio1_001329; CHEMBL290960; SCHEMBL1650162; Nifurtimox, >=98% (HPLC); BAY A2502; CHEBI:91472; BAY2502; KUC114565N; EX-A4624; BDBM50259708; s6459; Thiomorpholine, 3-methyl-4-((5-nitrofurfurylidene)amino)-, 1,1-dioxide; CS-W020813; DB11820; HY-W040073; KSC-427-39-1; C08002; D00833; A912676; J-015055; SR-01000838852-2; SR-01000838852-3; BRD-A84020532-001-03-5; BRD-A84020532-001-04-3; (E)-3-methyl-4-(((5-nitrofuran-2-yl)methylene)amino)thiomorpholine 1,1-dioxide; 4-Thiomorpholinamine, 3-methyl-N-((5-nitro-2-furanyl)methylene)-, 1,1-dioxide, ()-; 4-Thiomorpholinamine, 3-methyl-N-((5-nitro-2-furanyl)methylene)-, 1,1-dioxide, (-)-; N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitro-2-furyl)methanimine; 39072-15-6; 39072-16-7"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7566	DB11820	DR01396	.	287.29	C10H13N3O5S	117	467	1.3	19	0	7	2	"1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+"	CC1CS(=O)(=O)CCN1/N=C/C2=CC=C(O2)[N+](=O)[O-]	ARFHIAQFJWUCFH-IZZDOVSWSA-N
DG01182	Panobinostat	6918837	"Panobinostat; 404950-80-7; LBH589; LBH-589; Farydak; Panobinostat (LBH589); Faridak; LBH 589; (E)-N-Hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)acrylamide; NVP-LBH589; NVP-LBH-589; UNII-9647FM7Y3Z; LBH-589B; CHEBI:85990; 9647FM7Y3Z; 404950-80-7 (free base); (E)-N-HYDROXY-3-(4-{[2-(2-METHYL-1H-INDOL-3-YL)-ETHYLAMINO]-METHYL}-PHENYL)-ACRYLAMIDE; (E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide; panobinostat hydrate; Farydak (TN); (2E)-N-hydroxy-3-[4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methyl)phenyl]acrylamide; (2E)-N-hydroxy-3-[4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enamide; (E)-N-hydroxy-3-(4-((2-(2-methyl-1H-indol-3-yl)ethylamino)methyl)phenyl)acrylamide; 2-Propenamide, N-hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-, (2E)-; Panobinostat [USAN:INN]; 2-Propenamide, N-hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)-, (2E)-; Panobinostat(LBH589); LBH589 - Panobinostat; Panobinostat (USAN/INN); N-Hydroxy-3-[4-[2-(2-methyl-1H-indol-3-yl)ethylaminomethyl]phenyl]-2(E)-propenamide; MLS006011216; NVP-LBH 589; SCHEMBL164801; SCHEMBL183197; CHEMBL483254; GTPL7489; SCHEMBL22773814; BDBM29589; CHEBI:93774; DTXSID40193506; EX-A169; N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-2-propenamide; BCPP000187; BDBM198124; AOB87727; BCP01816; LBH58,9NVP-LBH589,Panobinostat; (LBH-589); MFCD09833242; NSC761190; s1030; ZINC22010649; AKOS005146046; BCP9000844; CCG-208762; CS-0267; DB06603; EX-8456; NSC-761190; (2E)-N-Hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2-propenamide; (E)-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enehydroxamic acid; NCGC00263117-05; NCGC00263117-07; 2-Propenamide, N-hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino) methyl)phenyl)-, (2E)-; AC-28652; AM808102; AS-17046; HY-10224; QC-10419; SMR004702978; DB-025426; SW219369-1; W6096; EC-000.2287; A25218; D10319; J-523585; Q7131441; BRD-K02130563-001-07-2; (E)-N-Hydroxy-3-[4-[[[2-(2-methyl-1H-indole-3-yl)ethyl]amino]methyl]phenyl]acrylamide; N-hydroxy-3 -[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2E-2-propenamide; N-hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2E-2-propenamide; Panobinostat;(E)-N-hydroxy-3-(4-((2-(2-methyl-1H-indol-3-yl)ethylamino)methyl)phenyl)acrylamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85990	DB06603	DR00181	.	349.4	C21H23N3O2	77.2	474	3	26	4	3	7	"1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+"	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N
DG01184	Thiacetazone	9568512	"Thiacetazone; Thioacetazone; AMITHIOZONE; Ambathizon; Benzothiozane; Conteben; Benzothiozon; Thiocarbazil; Benthiozone; Thioparamizone; Parazone; Thioacetazon; Thibone; Tibon; Tubin; Siocarbazone; Tebethione; Thiacetone; Thiacetozone; Thioazetazone; Thioparamizon; Thiotebesin; Thiotebezin; Thiotebicina; Tiacetazon; Tioacetazon; Tioatsetazon; Tubercazon; Aktivan; Amitiozon; Berkazon; Domakol; Livazone; Mivizon; Myvizone; Neotibil; Neustab; Novakol; Panrone; Seroden; Tebalon; Tebecure; Tebemar; Tebethion; Tebezon; Thiomicid; Thionicid; Thizone; Tibicur; Tibizan; Tiobicina; Tiocarone; Tiosecolo; Tubigal; Antib; Diasan; Ilbion; Thibon; Tibone; Berculon A; Tebesone I; 104-06-3; Nuclon argentinian; Thiosemicarbarzone; TB I (Bayer); 4-Acetylaminobenzaldehyde thiosemicarbazone; TB I; Thiosemicarbazone; Domagk's T.B.1 conteben; Thioacetazonum; Tibione; 4'-Formylacetanilide thiosemicarbazone; Sdt 1041; Magk's T.B.1 conteben; Tb I/698; p-Acetaminobenzylidenethiosemicarbazone; Tibion; CBC 903150; p-Formylacetanilide-3-thiosemicarbazone; SQ 2321; p-Acetamidobenzaldehyde thiosemicarbazone; p-Acetoaminobenzaldehyde thiosemicarbazone; UNII-MMG78X7SSR; A 4081; 4207 RP; RP 4207; Acetamide, N-[4-[[(aminothioxomethyl)hydrazono]methyl]phenyl]-; p-Acetylaminobenzadehyde thiosemicarbazone; MMG78X7SSR; Acetamide, N-(4-(((aminothioxomethyl)hydrazono)methyl)phenyl)-; NSC3550; Acetanilide, 4'-formyl-, 4'-(thiosemicarbazone); NSC-3550; p-Acetamidobenzaldehyde thiosemicarbazon; NCGC00159389-02; NCGC00159389-03; NCGC00159389-04; p-Acetylaminobenzaldehyde thiosemicarbazone; DSSTox_CID_2593; DSSTox_RID_76650; DSSTox_GSID_22593; N-(4-((2-Carbamothioylhydrazono)methyl)phenyl)acetamide; Mirizone neustab; Tioacetazona; Thioacetazone [INN:BAN]; Thioacetazonum [INN-Latin]; Tioacetazona [INN-Spanish]; CAS-104-06-3; Tb I-698; Thiosemicarbazone (pharmaceutical); NSC 3550; EINECS 203-170-6; BRN 2810335; N-[4-[(E)-(carbamothioylhydrazono)methyl]phenyl]acetamide; N-{4-[(E)-(Carbamothioylhydrazono)methyl]phenyl}acetamide; Citazone; Acetamide, N-(4-(((aminothiomethyl)hydrazono)methylene)phenyl)-; Acetamide, N-[4-[[(aminothiomethyl)hydrazono]methylene]phenyl]-; AI3-18591; 4207RP; Citazone (TN); Acetanilide, 4'-formyl-, thiosemicarbazone; Thioacetazone (INN); SCHEMBL42515; Acetanilide, thiosemicarbazone; WLN: SUYZMNU1R DMV1; 4-14-00-00075 (Beilstein Handbook Reference); N-(4-([2-(Aminocarbothioyl)hydrazono]methyl)phenyl)acetamide; N-[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]acetamide; Acetamide, N1-(4-([2-(aminocarbothioyl)hydrazono]methyl)phenyl); CHEMBL375492; TB-1; Acetamide, N-[4-[[2-(aminothioxomethyl)hydrazinylidene]methyl]phenyl]-; DTXSID80859179; EX-A101; CHEBI:134958; HY-B1526; Tox21_111625; Tox21_111626; Acetanilide, 4'-(thiosemicarbazone); BDBM50247903; MFCD00022157; N-{4-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenyl}acetamide; RP4207; SQ2321; STL503688; ZINC32709513; AKOS000304458; Tox21_111625_1; DB12829; SQ-2321; 4-Acetamidobenzaldehyde thiosemicarbazone; AS-71466; CS-0013329; D08584; A800888; SR-01000872620; SR-01000872620-2; N-{4-[(E)-[(carbamothioylamino)imino]methyl]phenyl}acetamide; N-(4-{(E)-[(aminocarbonothioyl)hydrazono]methyl}phenyl)acetamide; 910379-02-1; N-[4-[(2-Carbamothioylhydrazono)methyl]phenyl]acetamide;N-[4-[(E)-(carbamothioylhydrazono)methyl]phenyl]acetamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:134958	.	.	DR2518	236.3	C10H12N4OS	112	285	1	16	3	3	3	"1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+"	CC(=O)NC1=CC=C(C=C1)/C=N/NC(=S)N	SRVJKTDHMYAMHA-WUXMJOGZSA-N
DG01185	Esomeprazole	9568614	"Esomeprazole; (S)-Omeprazole; 119141-88-7; (-)-Omeprazole; (S)-(-)-Omeprazole; Nexium; Alenia; Esofag; Escz; Inexium paranova; (S)-Esomeprazole; Omeprazole S-form; Esomeprazole Sodium; UNII-N3PA6559FT; Nexiam; (S)-6-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole; N3PA6559FT; CHEBI:50275; esomeprazol; 1H-Benzimidazole, 5-methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2- pyridinyl)methyl)sulfinyl)-; esomeprazolum; Esomeprazole [INN:BAN]; (S)-5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole; 6-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole; Esomeprazole (INN); Inexium paranova (TN); IZRA 40; HSDB 8158; A02BC05; r-(+)-omeprazole; Omeprazole, (s)-; 5-Methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)sulfinyl)benzimidazole; SCHEMBL19535; BIDD:GT0020; GTPL5488; CHEMBL1201320; DTXSID4044292; QCR-180; ZINC4693575; AKOS015900821; AKOS016001455; AM84543; DB00736; 5-methoxy-2-{(S)-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole; AS-77669; D07917; Q553223; BRD-K61443506-001-01-0; UNII-KG60484QX9 component SUBDBMMJDZJVOS-DEOSSOPVSA-N; (5)6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methyl]sulfinyl]-1H-benzimidazole; (5)6-methoxy-2-[[(4-methoxy-3,5dimethyl-2-pyridinyl)-methyl]sulfinyl]-1H-benzimidazole; (5)6-methoxy-2-[[(4methoxy-3,5-dimethyl-2-pyridinyl)-methyl]sulfinyl]-1H-benzimidazole; (5)6-methoxy-2[[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methyl]sulfinyl]-1H-benzimidazole; (5)6-methoxy-2[[(4methoxy-3,5-dimethyl-2-pyridinyl)-methyl]sulfinyl]-1H-benzimidazole; (5)6-methoxy-2[[(4methoxy-3,5-dimethyl-2-pyridinyl)-methyl]sulfinyl]1H-benzimidazole; (S)-5-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl)-1H-benzo[d]imidazole; (s)-5-methoxy-2-(4-methoxy-3,5-dimethylpyridin-2-ylmethane-sulfinyl)-1h-benzimidazole; (S)-5-Methoxy-2-[(3,5-dimethyl-4-methoxy-2-pyridyl) methylsulfinyl]1-H-benzimidazole; (S)-5-Methoxy-2-[(3,5-dimethyl-4-methoxy-2-pyridyl)methylsulfinyl]-1H-benzimidazole; (s)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-3h-benzimidazole; (s)-5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1h-benzimidazole; (S)-5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole; 6-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole; (+)-(5)6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole; 326602-80-6; 5-methoxy-2-[(S)-[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfinyl]-1H-1,3-benzodiazole"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:50275	DB00736	.	DR0627	345.4	C17H19N3O3S	96.3	453	2.2	24	1	6	5	"1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1"	CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC	SUBDBMMJDZJVOS-DEOSSOPVSA-N
DG01190	Midostaurin	9829523	"Midostaurin; PKC412; 120685-11-2; Cgp 41251; PKC-412; 4'-N-Benzoylstaurosporine; Benzoylstaurosporine; CGP-41251; RYDAPT; PKC 412; UNII-ID912S5VON; N-Benzoylstaurosporine; ID912S5VON; CHEMBL608533; CHEBI:63452; N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide; Cgp 41 251; Midostaurin [USAN:INN]; CGP 41231; NSC-656576; Rydapt (TN); Midostaurin(PKC412); 4-N-benzoylstaurosporine; Staurosporine, N-Benzoyl; NVP-PKC412; Midostaurin (JAN/USAN/INN); GTPL5702; SCHEMBL8295379; HMS3229K17; EX-A1741; BDBM50326053; CGP-41521; MFCD00871372; NSC800791; s8064; AKOS024457372; ZINC100013130; CCG-101288; CS-3331; DB06595; NSC 656576; NSC-800791; NCGC00241102-01; NCGC00241102-02; NCGC00241102-05; NCGC00484987-03; AC-31929; Benzamide, N-(2,3,9,10,11,12-hexahydro-9-methoxy-8-methyl-1-oxo-8,12-epoxy-1H,8H-2,7b,12a-triazadibenzo(a,g)cyclonona(cde)trinden-10-yl)-N-methyl-, (8alpha,9beta,10beta,12alpha)-; HY-10230; N-((9S,10R,11R,13R)-10-methoxy-9-methyl-1-oxo-2,3,10,11,12,13-hexahydro-9,13-epoxy-1H,9H-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazonin-11-yl)-N-methylbenzamide; C71714; D05029; J-004379; Q6842945; BRD-K13646352-001-01-2; [9S-(9 ,10 ,11 ,13 )]-N-(2,3,10,11,12,13-Hexahydro-10-methoxy-9-methyl-1-oxo-9,13-epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-11-yl)-N-methylbenzamide; Benzamide, N-((9S,10R,11R,13R)-2,3,9,10,11,12-hexahydro-10-methoxy-9-methyl-1-oxo-9,13-epoxy-1H,9H-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazonin-11-yl)-N-methyl-; N-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8,10,12,14(28),15(19),20(27),21,23,25-nonaen-4-yl]-N-methylbenzamide; N-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63452	DB06595	DR01370	DR1090	570.6	C35H30N4O4	77.7	1140	4.8	43	1	4	3	"1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1"	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N
DG01191	Cabazitaxel	9854073	"CABAZITAXEL; 183133-96-2; Jevtana; Taxoid XRP6258; Cabazitaxelum; TXD 258; Xrp6258; XRP-6258; UNII-51F690397J; XRP 6258; Jevtana (TN); CHEBI:63584; NSC-761432; 51F690397J; kabazitaxel; Jevtana Kit; Cabazitaxel (Jevtana); (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate.; cabazitaxel acetonate; Cabazitaxel Injection; Cabazitaxel [USAN:INN]; Jevanta; TXD258; RPR 116258A; RPR-116258A; Cabazitaxel (USAN/INN); SCHEMBL179674; GTPL6798; CHEMBL1201748; AMY4317; DTXSID40171389; EX-A838; TXD-258; C45H57NO14; MFCD18827611; NSC761432; NSC794609; s3022; ZINC85536932; AKOS032947285; CCG-270519; CS-0972; DB06772; NSC 761432; NSC-794609; NCGC00346704-01; NCGC00346704-03; AS-75355; HY-15459; X7252; A25044; D09755; AB01273971-01; AB01273971_02; Q412963; SR-01000941585; J-011721; J-519981; SR-01000941585-1; (((tertbutoxy)carbonyl)amino)-2-hydroxy-3-phenylpropanoate1-hydroxy-7beta,10beta-dimethoxy-9-oxo-5beta,20-epoxytax-11-ene-2alpha,4,13alpha-triyl 4-acetate 2-benzoate 13-((2R,3S)-3-; (1S)-5beta,20-Epoxy-9-oxo-7beta,10beta-dimethoxytaxa-11-ene-1,2alpha,4alpha,13alpha-tetraol 2-benzoate 4-acetate 13-[(2R,3S)-2-hydroxy-3-(tert-butoxycarbonylamino)-3-phenylpropionate]; (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0(3),(1) .0 , ]heptadec-13-en-2-yl benzoate; (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate; (2alpha,5beta,7beta,10beta,13alpha)-4-acetoxy-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1-hydroxy-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate; (2AR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-11-hydroxy-4,6-dimethoxy-4a,8,13,1; (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate; [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1-hydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; 1-hydroxy-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-ene-2,4,13-triyl 4-acetate 2-benzoate 13-((2R,3S)-3-(((tertbutoxy)carbonyl)amino)-2-hydroxy-3-phenylpropanoate); 1-hydroxy-7 ,10 -dimethoxy-9-oxo-5 ,20-epoxytax-11-ene-2 ,4,13 -triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoate]; Benzenepropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (alphaR,betaS)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63584	DB06772	.	DR0252	835.9	C45H57NO14	202	1690	2.7	60	3	14	15	"1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC)C)OC	BMQGVNUXMIRLCK-OAGWZNDDSA-N
DG01197	Tocotrienol	9929901	"Tocotrienol; 6829-55-6; 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol; Tocotrienols; (R)-3,4-Dihydro-2-methyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol; CCRIS 7711; CHEMBL120643; SCHEMBL1081622; SCHEMBL1448780; DB12647; NCGC00186586-01; Q27236375; 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol; 3,4-Dihydro-2-methyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12647	.	.	382.6	C26H38O2	29.5	567	8.2	28	1	2	9	"1S/C26H38O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h9,11,13-15,19,27H,6-8,10,12,16-18H2,1-5H3/b21-11+,22-13+"	CC(=CCC/C(=C/CC/C(=C/CCC1(CCC2=C(O1)C=CC(=C2)O)C)/C)/C)C	GJJVAFUKOBZPCB-ZGRPYONQSA-N
DG01198	Rucaparib	9931954	"RUCAPARIB; 283173-50-2; Rubraca; Rucaparib free base; AG-14447; Rucaparib (free base); UNII-8237F3U7EH; Kinome_3180; 8-Fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-6H-pyrrolo[4,3,2-ef][2]benzazepin-6-one; 8237F3U7EH; 283173-50-2 (free base); 8-Fluoro-2-(4-((methylamino)methyl)phenyl)-1,3,4,5-tetrahydro-6H-azepino(5,4,3-cd)indol-6-one; 8-FLUOR-2-{4-[(METHYLAMINO)METHYL]FENYL}-1,3,4,5-TETRAHYDRO-6HAZEPINO[5,4,3-CD]INDOOL-6-ON; 8-fluoro-2-(4-methylaminomethyl-phenyl)-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indol-6-one; 6H-Pyrrolo[4,3,2-ef][2]benzazepin-6-one,8-fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-; 8-FLUORO-2-(4-((METHYLAMINO)METHYL)PHENYL)-4,5-DIHYDRO-1H-AZEPINO[5,4,3-CD]INDOL-6(3H)-ONE; C19H18FN3O; 8-fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one; Rucaparib [USAN:INN]; PF 01367338; 8-Fluoro-2-[4-[(methylamino)methyl]phenyl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one; RPB; Rucaparib (USAN/INN); Rucaparib(AG-014447); SCHEMBL844585; GTPL7736; CHEMBL1173055; CHEBI:94311; ZINC25958; DTXSID10182563; CHEBI:134689; BCP07633; EX-A2700; BDBM50446130; HY-10617A; NSC756644; s4948; AKOS015898427; AG14447; DB12332; NSC-756644; SB16538; NCGC00263173-01; NCGC00263173-03; NCGC00263173-09; NCGC00263173-13; 6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one; 6H-Azepino(5,4,3-cd)indol-6-one, 8-fluoro-1,3,4,5-tetrahydro-2-(4-((methylamino)methyl)phenyl)-; 6H-Pyrrolo(4,3,2-ef)(2)benzazepin-6-one, 8-fluoro-1,3,4,5-tetrahydro-2-(4-((methylamino)methyl)phenyl)-; AC-24390; AS-74779; FT-0696622; A14182; C74459; D10079; Rucaparib; AG 014699; PF-01367338; A856084; Q7376558; BRD-K88560311-011-01-4; 6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.0^{4,13]trideca-1,4,6,8(13)-tetraen-9-one; 6-fluoro-2-{4-[(methylamino)methyl]phenyl}-3,10-diazatricyclo[6.4.1.0 ,(1)(3)]trideca-1,4,6,8(13)-tetraen-9-one; 6H-Pyrrolo[4,3,2-ef][2]benzazepin-6-one,8-fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]; 8-fluoro-5-(4-((methylamino)methyl)phenyl)-2,3,4,6-tetrahydro-1H-azepino[5,4,3-cd]indol-1-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94311	DB12332	.	DR1449	323.4	C19H18FN3O	56.9	466	2.5	24	3	3	3	"1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)"	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2	HMABYWSNWIZPAG-UHFFFAOYSA-N
DG01206	Tedizolid	11234049	"Tedizolid; Torezolid; 856866-72-3; TR-700; Sivextro; DA-7157; Da 7157; UNII-97HLQ82NGL; TR 700; CHEBI:82717; 97HLQ82NGL; (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)pyridin-3-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one; (5R)-3-{3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-5-(hydroxymethyl)-1,3-oxazolidin-2-one; (R)-3-(3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)-5-(hydroxymethyl)oxazolidin-2-one; Tedizolid [USAN:INN]; previously torezolid; torezolid; Sivextro; Tedizolid (USAN/INN); SCHEMBL440398; CHEMBL1257051; GTPL10865; DTXSID10234975; TR700; 1431699-67-0; BCP02830; EX-A5826; BDBM50491954; MFCD19442562; s5278; ZINC43100956; AKOS025401974; CCG-268294; CS-0687; DB14569; NCGC00379072-02; (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridyl]phenyl]-5-(hydroxymethyl)oxazolidin-2-one; AC-27738; AS-56108; HY-14855; A14965; D09685; Q7825683; (5R)-3-(3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)-5-(hydroxymethyl)oxazolidin-2-one; (5R)-3-{3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-5-(hydroxymethyl)-2-oxazolidinone; (R)-3-(4-(2-(2-methyltetrazol-5-yl)pyridin-5-yl)-3-fluorophenyl)-5-hydroxymethyl oxazolidin-2-on; (R)-3-(4-(2-(2-methyltetrazol-5-yl)pyridin-5-yl)-3-fluorophenyl)-5-hydroxymethyl oxazolidin-2-one; 2-Oxazolidinone, 3-(3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl)phenyl)-5-(hydroxymethyl)-, (5R)-; 3-(3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)-5-(hydroxymethyl)oxazolidin-2-one; 3-(3-fluoro-4-(6-(2-methyl-2h-tetrazol-5-yl)pyridin-3-yl)phenyl)-5-hydroxymethyloxazolidin-2-one; U7V"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:82717	.	.	.	370.3	C17H15FN6O3	106	543	1.4	27	1	8	4	"1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1"	CN1N=C(N=N1)C2=NC=C(C=C2)C3=C(C=C(C=C3)N4C[C@@H](OC4=O)CO)F	XFALPSLJIHVRKE-GFCCVEGCSA-N
DG01209	Eribulin	11354606	"Eribulin; 253128-41-5; Halaven; UNII-LR24G6354G; ER 086526; CHEBI:63587; LR24G6354G; 2-(3-Amino-2-hydroxypropyl)hexacosahydro-3-methoxy-26-methyl-20,27-bis(methylene)11,15-18,21-24,28-triepoxy-7,9-ethano-12,15-methano-9H,15H-furo(3,2-i)furo(2',3'-5,6)pyrano(4,3-b)(1,4)dioxacyclopentacosin-5-(4H)-one; (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one; Eribulin [INN]; (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-bis(methylene)-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1(3,32).1(3,33).1(6,9).1(12,16).0(18,22).0(29,36).0(31,35)]hentetracontan-24-one; NSC-707389; ER-086526; (1s,3s,6s,9s,12s,14r,16r,18s,20r,21r,22s,26r,29s,31r,32s,33r,35r,36s)-20-[(2s)-3-Amino-2-Hydroxypropyl]-21-Methoxy-14-Methyl-8,15-Dimethylidene-2,19,30,34,37,39,40,41-Octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-One (Non-Preferred Name); B 1939; e7389-lf; GTPL6813; CHEMBL1683590; SCHEMBL15783821; DTXSID101009321; ZINC169344691; DB08871; NCGC00510497-02; HY-13442; Q408717; (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-o"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63587	DB08871	.	DR0601	729.9	C40H59NO11	146	1380	1.1	52	2	12	4	"1S/C40H59NO11/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,43H,2-3,5-18,41H2,1,4H3/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1"	C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@@H](CN)O	UFNVPOGXISZXJD-JBQZKEIOSA-N
DG01214	Dacomitinib	11511120	"Dacomitinib; 1110813-31-4; PF299804; Dacomitinib (PF299804, PF299); PF-00299804; UNII-2XJX250C20; (2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide; (E)-N-(4-((3-chloro-4-fluorophenyl)aMino)-7-Methoxyquinazolin-6-yl)-4-(piperidin-1-yl)but-2-enaMide; 2XJX250C20; PF 00299804-03; Vizimpro; PF-299804; PF-00299804-03; (E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide; C24H25ClFN5O2; (2e)-N-{4-[(3-Chloro-4-Fluorophenyl)amino]-7-Methoxyquinazolin-6-Yl}-4-(Piperidin-1-Yl)but-2-Enamide; Dacomitinib [USAN:INN]; dacomitinibum; PF299; (E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl]-4-(piperidin-1-yl)but-2-enamide; Dacomitinib (INN); Dacomitinib anhydrous; Dacomitinib (PF299804); MLS006011275; GTPL7422; CHEMBL2110732; PF-00299804 dacomitinib; CHEBI:91466; DTXSID50149493; EX-A030; QCR-174; CHEBI:132268; BDBM112499; Dacomitinib (PF-00299804); AMY21292; AOB87383; AOB87735; BCP02530; MFCD19443734; NSC765888; NSC800084; PF-299; s2727; ZINC72266312; AKOS025401818; CCG-264987; CS-0500; DB11963; NSC-765888; NSC-800084; US8623883, No. 2; NCGC00263185-09; NCGC00263185-10; AC-25915; AS-57686; HY-13272; SMR004703025; PF299804; ; ; PF299; D5450; SW219155-1; Y0338; D09883; Dacomitinib (PF299804, PF-00299804); PF-299804 (Dacomitinib PF-00299804); J-500784; Q17130597; (2E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-(piperidin-1-yl)but-2-enamide; (E)-N-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl)-4-(piperidin-1-yl)but-2-enamide; (E)-N-[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide; 2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-methoxy-6-quinazolinyl)-4-(1-piperidinyl)-, (2E)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:91466	DB11963	DR00109	DR0407	469.9	C24H25ClFN5O2	79.4	665	4.4	33	2	7	7	"1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+"	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N
DG01217	Lasmiditan	11610526	"Lasmiditan; 439239-90-4; 2,4,6-Trifluoro-N-(6-(1-methylpiperidine-4-carbonyl)pyridin-2-yl)benzamide; COL-144; lasmitidan; UNII-760I9WM792; LY573144; 2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)pyridin-2-yl]benzamide; 439239-90-4 (free base); 760I9WM792; 2,4,6-Trifluoro-N-(6-((1-methylpiperidine-4-yl)carbonyl)pyridin-2-yl)benzamide; 2,4,6-tris(fluoranyl)-N-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide; Lasmiditan [USAN:INN]; Reyvow; COL 144; Lasmiditan (USAN/INN); SCHEMBL536057; GTPL3928; CHEMBL3039520; DTXSID40469435; QCR-219; AMY27880; BCP04734; EX-A1300; EX-A1653; ZINC3818355; 6063AB; MFCD18633238; s5064; AKOS016000352; BCP9000841; CS-2032; DB11732; Lasmiditan; OL-144; LY573144; SB19007; COL-144; LY573144; Lasmiditan (COL-144; LY573144); AS-35247; HY-14861; BCP0726000027; A14198; D10338; L022410; Q6493750; 2,4,6-trifluoro-N-[6-(1-methyl-piperidin-4-ylcarbonyl)-pyridin-2-yl]-benzamide; 2,4,6-trifluoro-N-[6-(1-methyl-piperidine-4-carbonyl)-pyridin-2-yl]-benzamide; 2,4,6-trifluoro-N-[6-(1-methylpiperidin-4-ylcarbonyl)-pyridin-2-yl]-benzamide; Benzamide, 2,4,6-trifluoro-N-(6-((1-methyl-4-piperidinyl)carbonyl)-2-pyridinyl)-; 05X"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11732	.	.	377.4	C19H18F3N3O2	62.3	530	2.8	27	1	7	4	"1S/C19H18F3N3O2/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22/h2-4,9-11H,5-8H2,1H3,(H,23,24,27)"	CN1CCC(CC1)C(=O)C2=NC(=CC=C2)NC(=O)C3=C(C=C(C=C3F)F)F	XEDHVZKDSYZQBF-UHFFFAOYSA-N
DG01226	Verteporfin	11980904	"Visudyne (TN); SCHEMBL6218; Verteporfin (JAN/USP/INN); SCHEMBL1230373; Verteporfin, >=94% (HPLC); HY-B0146; AKOS015896072; AKOS037515819; CS-1950; D01162; Verteporfin, United States Pharmacopeia (USP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00460	.	.	1437.6	C82H84N8O16	347	2990	.	106	6	20	24	"1S/2C41H42N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)24(11-14-36(46)47)32(44-30)18-33-25(12-15-37(48)51-6)21(3)28(43-33)16-31(23)42-29;1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)25(12-15-37(48)51-6)33(44-30)18-32-24(11-14-36(46)47)21(3)28(43-32)16-31(23)42-29/h2*9-10,13,16-19,38,42,44H,1,11-12,14-15H2,2-8H3,(H,46,47)/t2*38-,41+/m00/s1"	CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5[C@@]6([C@@H](C(=CC=C6C(=N5)C=C1N2)C(=O)OC)C(=O)OC)C)C)CCC(=O)OC)C(=C3C)CCC(=O)O)C=C.CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5[C@@]6([C@@H](C(=CC=C6C(=N5)C=C1N2)C(=O)OC)C(=O)OC)C)C)CCC(=O)O)C(=C3C)CCC(=O)OC)C=C	NJLRKAMQPVVOIU-IDLGWYNRSA-N
DG01239	Fedratinib	16722836	"Fedratinib; 936091-26-8; Tg-101348; TG101348; SAR302503; N-(tert-butyl)-3-((5-methyl-2-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)amino)pyrimidin-4-yl)amino)benzenesulfonamide; TG 101348; SAR-302503; Fedratinib (SAR302503, TG101348); SAR 302503; UNII-6L1XP550I6; TG101348 (SAR302503); N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide; CHEMBL1287853; C27H36N6O3S; 6L1XP550I6; 936091-26-8 (free base); N-tert-butyl-3-(5-methyl-2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenylamino)pyrimidin-4-ylamino)benzenesulfonamide; N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide; Inrebic; Fedratinib [USAN:INN]; 2TA; Fedratinib (USAN/INN); Fedratinib TG101348; TG101348(Fedratinib); Fedratinib (TG101348); MLS006011155; SCHEMBL263741; GTPL5716; CHEBI:91408; AOB2041; DTXSID90239483; EX-A170; SYN1104; HMS3295I03; HMS3656L19; HMS3744G17; HMS3868L03; BCP02300; BDBM50332294; MFCD12922515; NSC767600; NSC800099; s2736; ZINC19862646; AKOS015842621; CCG-264990; CS-0052; DB12500; EX-5961; NSC-767600; NSC-800099; SB14604; NCGC00244252-01; NCGC00244252-07; AC-30260; AS-16248; Benzenesulfonamide, N-(1,1-dimethylethyl)-3-((5-methyl-2-((4-(2-(1-pyrrolidinyl)ethoxy)phenyl)amino)-4-pyrimidinyl)amino)-; DA-40258; HY-10409; N-Tert-butyl-3-(5-methyl-2-(4-(2-pyrrolidin-1-yl-ethoxy)-phenylamino)-pyrimidin-4-ylamino)-benzenesulfonamide; N-tert-butyl-3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide; SMR004702929; DB-079623; FT-0705969; FT-0763396; FT-0766818; SW218187-2; Y0268; A25534; D10630; F17372; SAR302503 (TG-101348); 091D268; J-523769; Q7670147; BRD-K12502280-001-01-5; 945381-69-1; Fedratinib; ; ; N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4-pyrimidinyl]amino]-benzenesulfonamide; N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzene-1-sulfonamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:91408	DB12500	.	.	524.7	C27H36N6O3S	117	787	4.8	37	3	9	11	"1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)"	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N
DG01243	Lobaplatin	24202037	"131374-93-1; [2-(aminomethyl)cyclobutyl]methanamine;2-oxidopropanoate;platinum(4+); Lobaplatine; Lobaplatino; Lobaplatinum; Lobaplatin [INN]; Lobaplatine [INN-French]; Lobaplatinum [INN-Latin]; Lobaplatino [INN-Spanish]; NSC619413; NSC 741422; NSC-619413; 2-(Aminomethyl)cyclobutyl]methanamine 2-hydroxypropanoic acid platinum salt; cis-((trans-1,2-Cyclobutandimethylamine)-(s)-2-oxidopropanoato-platinum(II)); cis-(trans-1,2-Cyclobutanebis(methylamine))((S)-lactato-O(sup 1),O(sup 1))platinum; Platinum, (1,2-cyclobutanedimethanamine-N,N')(2-hydroxypropanoato(2-)-O1,O2)-, (SP-4-3-(S),(trans))-; Platinum, (rel-(1R,2R)-1,2-cyclobutanedimethanamine-kappaN,kappaN')((2S)-2-(hydroxy-kappa-O)propanoato(2-)-kappaO)-, (SP-4-3)-; Platinum,2-cyclobutanedimethanamine-N,N') [2-hydroxypropanoato(2-)-O(1),O(2)]-, (SP-4-3)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	397.33	C9H18N2O3Pt+2	115	171	.	15	2	5	0	"1S/C6H14N2.C3H5O3.Pt/c7-3-5-1-2-6(5)4-8;1-2(4)3(5)6;/h5-6H,1-4,7-8H2;2H,1H3,(H,5,6);/q;-1;+4/p-1"	CC(C(=O)[O-])[O-].C1CC(C1CN)CN.[Pt+4]	XSMVECZRZBFTIZ-UHFFFAOYSA-M
DG01245	Canagliflozin	24812758	"Canagliflozin; 842133-18-0; Invokana; Canagliflozin anhydrous; TA-7284; JNJ-28431754; JNJ 24831754ZAE; canagliflozin hemihydrate; UNII-6S49DGR869; Canagliflozin hydrate; (2S,3R,4R,5S,6R)-2-(3-((5-(4-FLUOROPHENYL)THIOPHEN-2-YL)METHYL)-4-METHYLPHENYL)-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL; TA 7284; 1-(Glucopyranosyl)-4-methyl-3-(5-(4-fluorophenyl)-2-thienylmethyl)benzene; CHEBI:73274; 6S49DGR869; (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol; (1S)-1,5-anhydro-1-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methylphenyl)-D-glucitol; (1S)-1,5-Anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-D-glucitol; D-Glucitol,1,5-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, (1S)-; JNJ 28431754; (1S)-1,5-Anhydro-1-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-D-glucitol; (1s)-1,5-anhydro-1-c-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-d-glucitol; JNJ 24831754AAA; (2S,3R,4R,5S,6R)-2-(3-{[5-(4-fluorophenyl)thiophen-2-yl]methyl}-4-methylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol; Canagliflozin [INN]; JNJ 24831754; MLS006011126; SCHEMBL157162; C24H25FO5S; GTPL4582; CHEMBL2048484; HSDB 8284; AMY3291; BCPP000303; DTXSID601004469; JNJ 28431754AAA; BDBM50386885; MFCD18251436; s2760; ZINC43207238; AKOS025401827; BCP9000477; CCG-229581; CS-0522; DB08907; KS-1443; NCGC00346691-02; (1S)-1,5-Anhydro-1-c-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-D-glucitol; AC-26303; HY-10451; SMR004702906; SW219119-1; Y0287; A25050; J-500391; Q5030940; (1S)-1,5-anhydro-1-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methyl-phenyl)-D-glucitol; 1,5-Anhydro-1-(3-{[5-(4-fluorophenyl)thiophen-2-yl]methyl}-4-methylphenyl)hexitol; D-Glucitol, 1,5-anhydro-1-C-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4- methylphenyl)-, (1S)-; D-glucitol, 1,5-anhydro-1-c-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4- methylphenyl)-, (1s)-; JNJ24831754ZAE; TA 7284;(2S,3R,4R,5S,6R)-2-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:73274	DB08907	DR00279	DR0262	444.5	C24H25FO5S	118	574	3.2	31	4	7	5	"1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1"	CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F	XTNGUQKDFGDXSJ-ZXGKGEBGSA-N
DG01248	Entrectinib	25141092	"Entrectinib; 1108743-60-7; NMS-E628; RXDX-101; Rozlytrek; UNII-L5ORF0AN1I; Entrectinib (RXDX-101); Entrectinib(rxdx-101); L5ORF0AN1I; N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-2-((tetrahydro-2H-pyran-4-yl)amino)benzamide; N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide; N-{5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl}-4-(4-methylpiperazin-1-yl)-2-[(oxan-4-yl)amino]benzamide; Benzamide, N-(5-((3,5-difluorophenyl)methyl)-1H-indazol-3-yl)-4-(4-methyl-1-piperazinyl)-2-((tetrahydro-2H-pyran-4-yl)amino)-; Benzamide, N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methyl-1-piperazinyl)-2-[(tetrahydro-2H-pyran-4-yl)amino]-; Entrectinib [USAN:INN]; Rozlytrek (TN); YMX; Entrectinib, 95%; Kinome_2659; Entrectinib; NMS-E628; Entrectinib (JAN/USAN/INN); GTPL8290; SCHEMBL3512601; CHEMBL1983268; NMS-E-628; NMS-E628;RXDX-101; HMS3886H21; BCP16174; EX-A2261; MFCD28129099; NSC774769; NSC800095; s7998; ZINC43204146; CCG-270048; DB11986; NSC-774769; NSC-800095; SB17194; NCGC00484067-01; NCGC00484067-02; NCGC00484067-03; AC-31286; AS-75092; DA-47850; HY-12678; N-(5-(3,5-Difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzamide; B5859; FT-0736318; D10926; A856078; Q25323953; S900006830; RXDX101; RXDX 101; RXDX-101; NMS E628; NMS-E628;NMS E628; N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methyl-1-piperazinyl)-2-(tetrahydro-2H-pyran-4-ylamino)benzamide; N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzamide; N-[5-(3,5-Difluoro-benzyl)-1H-indazol-3-yl]-4-(4-methyl-piperazin-1-yl)-2-(tetrahydro-pyran-4-ylamino)-benzamide; N-{5-[(3,5-difluorophenyl)methyl]-3H-indazol-3-ylidene}-4-(4-methylpiperazin-1-yl)-2-[(oxan-4-yl)amino]benzamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11986	.	DR0582	560.6	C31H34F2N6O2	85.5	847	5.7	41	3	8	7	"1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)"	CN1CCN(CC1)C2=CC(=C(C=C2)C(=O)NC3=NNC4=C3C=C(C=C4)CC5=CC(=CC(=C5)F)F)NC6CCOCC6	HAYYBYPASCDWEQ-UHFFFAOYSA-N
DG01249	Capmatinib	25145656	"Capmatinib; 1029712-80-8; INCB28060; INC-280; INC280; 2-fluoro-N-methyl-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzamide; INCB-28060; NVP-INC280; UNII-TY34L4F9OZ; NVP-INC280-NX; Capmatinib (INCB28060); INC28060; 2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide; TY34L4F9OZ; INCB 28060; BenzaMide, 2-fluoro-N-Methyl-4-[7-(6-quinolinylMethyl)iMidazo[1,2-b][1,2,4]triazin-2-yl]-; 2-Fluoro-N-methyl-4-[7-[(quinolin-6-yl)methyl]imidazo[1,2-b]-[1,2,4]triazin-2-yl]benzamide; C23H17FN6O; Tabrecta; Benzamide, 2-fluoro-N-methyl-4-[7-(6-quinolinylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-;Benzamide, 2-fluoro-N-methyl-4-[7-(6-quinolinylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-; benzamide hcl; INCB-28060 FREE BASE; Capmatinib [USAN]; Capmatinib (USAN/INN); Capmatinib [USAN:INN]; Capmatinib(INCB28060); INCB28060(Capmatinib); NYP-INC280-NX; MLS006010965; GTPL7904; SCHEMBL1426819; CHEMBL3188267; DTXSID90145595; EX-A446; AMY18553; AOB87335; BCP23444; BDBM50146167; MFCD18633285; NSC777878; NSC800067; s2788; ZINC43195321; AKOS025396439; BCP9000785; CCG-268791; CS-1541; DB11791; NSC-777878; NSC-800067; QC-7530; SB16608; NCGC00346702-01; NCGC00346702-02; NCGC00346702-05; AC-25890; AS-74142; DA-33530; HY-13404; SMR004702769; FT-0746310; Y0337; D10696; J-509516; Q27075685; 2-Fluoro-N-methyl-4-[7-(6-quinolinylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide; 2-fluoro-n-methyl-4-[7-(quinolin-6-ylmethyl)imidazolo[1,2-b][1,2,4]triazin-2-yl]benzamide; 2-fluoro-N-methyl-4-{7-[(quinolin-6-yl)methyl]imidazo[1,2-b][1,2,4]triazin-2-yl}benzamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11791	.	.	412.4	C23H17FN6O	85.1	637	2.9	31	1	6	4	"1S/C23H17FN6O/c1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20/h2-9,11-13H,10H2,1H3,(H,25,31)"	CNC(=O)C1=C(C=C(C=C1)C2=NN3C(=CN=C3N=C2)CC4=CC5=C(C=C4)N=CC=C5)F	LIOLIMKSCNQPLV-UHFFFAOYSA-N
DG01254	Nedaplatin	6917890	Nedaplatin; 95734-82-0; Aqupla; NSC 375101D; azane;2-hydroxyacetic acid;platinum; 254-S; NSC-375101D; C2H2O3Pt.2H3N; HMS2089P16; AKOS025311233; M754; 734N820	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB13145	.	.	305.2	C2H10N2O3Pt	59.5	44.1	.	8	4	5	0	"1S/C2H4O3.2H3N.Pt/c3-1-2(4)5;;;/h3H,1H2,(H,4,5);2*1H3;"	C(C(=O)O)O.N.N.[Pt]	ZAXCMPAWRCMABN-UHFFFAOYSA-N
DG01255	Vibegron	44472635	"VIBEGRON; 1190389-15-1; KRP-114V; UNII-M5TSE03W5U; MK-4618; M5TSE03W5U; (S)-N-(4-(((2S,5R)-5-((R)-hydroxy(phenyl)methyl)pyrrolidin-2-yl)methyl)phenyl)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide; MK4618; C26H28N4O3; Pyrrolo(1,2-a)pyrimidine-6-carboxamide, 4,6,7,8-tetrahydro-N-(4-(((2S,5R)-5-((R)-hydroxyphenylmethyl)-2-pyrrolidinyl)methyl)phenyl)-4-oxo-, (6S)-; Pyrrolo[1,2-a]pyrimidine-6-carboxamide, 4,6,7,8-tetrahydro-N-[4-[[(2S,5R)-5-[(R)-hydroxyphenylmethyl]-2-pyrrolidinyl]methyl]phenyl]-4-oxo-, (6S)-; Vibegron [USAN:INN]; vibegronum; Gemtesa; Beova; Beova (TN); MK 4618; Vibegron (JAN/USAN); CHEMBL2107826; SCHEMBL11985457; GTPL10100; DTXSID40152299; CHEBI:142418; EX-A3390; BDBM50146154; MFCD28502057; AT23148; compound 7 [PMID: 26709102]; DB14895; (6S)-N-(4-(((2S,5R)-5-((R)-Hydroxyphenylmethyl)pyrrolidin-2-yl)methyl)phenyl)-4-oxo-4,6,7,8-tetrahydropyrrolo(1,2-a)pyrimidine-6-carboxamide; HY-19933; CS-0016926; D10433; A903957; Q27283524; (6S)-4,6,7,8-Tetrahydro-N-[4-[[(2S,5R)-5-[(R)-hydroxyphenylmethyl]-2-pyrrolidinyl]methyl]phenyl]-4-oxo-pyrrolo[1,2-a]pyrimidine-6-carboxamide; (6S)-4,6,7,8-Tetrahydro-N-[4-[[(2S,5R)-5-[(R)-hydroxyphenylmethyl]-2-pyrrolidinyl]methyl]phenyl]-4-oxopyrrolo[1,2-a]pyrimidine-6-carboxamide; (6S)-N-[4-({(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl}methyl)phenyl]-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide; (6S)-N-[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:142418	.	DR00357	.	444.5	C26H28N4O3	94	782	1.8	33	3	5	6	"1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1"	C1C[C@@H](N[C@@H]1CC2=CC=C(C=C2)NC(=O)[C@@H]3CCC4=NC=CC(=O)N34)[C@@H](C5=CC=CC=C5)O	DJXRIQMCROIRCZ-XOEOCAAJSA-N
DG01260	YN-968D1	45139106	"Apatinib; Apatinib Mesylate; 1218779-75-9; Rivoceranib mesylate; YN968D1; YN-968D1; UNII-TK02X14ASJ; YN 968D1; TK02X14ASJ; N-(4-(1-Cyanocyclopentyl)phenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide Mesylate; 3-Pyridinecarboxamide, N-(4-(1-cyanocyclopentyl)phenyl)-2-((4-pyridinylmethyl)amino)-, methanesulfonate (1:1); N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;methanesulfonic acid; Apatinib mesylate; 3-Pyridinecarboxamide, N-[4-(1-cyanocyclopentyl)phenyl]-2-[(4-pyridinylmethyl)amino]-, methanesulfonate (1:1); Alitan (TN); Apatinib-YN968D1; Apatinib - YN968D1; Rivoceranib mesylate (USAN); MLS006011286; CHEMBL3545414; SCHEMBL21847695; DTXSID80153427; HMS3655H12; AOB87128; BCP15234; Apatinib (registered name in China); BDBM50152828; s2221; AKOS026750547; BCP9000308; CCG-269641; CS-0694; SB16589; N-(4-(1-cyanocyclopentyl)phenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide methanesulfonate; HY-13342; SMR004703036; SW220296-1; D11289; N-(4-(1-cyanocyclopentyl)phenyl)-2-(pyridin-4-ylmethylamino)nicotinamide mesylate; N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-pyridylmethyl)amino-3-pyridine carboxyamide mesylate; N-(4-(1-cyanocyclopentyl)phenyl)-2-((pyridin-4-ylmethyl)amino)pyridine-3-carboxamide mesylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	DR00819	.	493.6	C25H27N5O4S	153	701	.	35	3	8	6	"1S/C24H23N5O.CH4O3S/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18;1-5(2,3)4/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30);1H3,(H,2,3,4)"	CS(=O)(=O)O.C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4	FYJROXRIVQPKRY-UHFFFAOYSA-N
DG01263	Larotrectinib	46188928	"Larotrectinib; LOXO-101; 1223403-58-4; ARRY-470; (S)-N-(5-((R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide; LOXO 101; UNII-PF9462I9HX; LOXO101; PF9462I9HX; (3S)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide; BAY2757556; BAY-2757556; Vitrakvi; ARRY 470; 1-Pyrrolidinecarboxamide, N-(5-((2R)-2-(2,5-difluorophenyl)-1-pyrrolidinyl)pyrazolo(1,5-a)pyrimidin-3-yl)-3-hydroxy-, (3S)-; 1-Pyrrolidinecarboxamide, N-[5-[(2R)-2-(2,5-difluorophenyl)-1-pyrrolidinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxy-, (3S)-; ARRY-470; larotrectinib; Larotrectinib (USAN/INN); Larotrectinib [USAN:INN]; ARRY470; AMY264; GTPL8909; SCHEMBL2241012; CHEMBL3889654; BDBM136597; BCP16262; EX-A1981; MFCD28902192; NSC785570; NSC801004; s5860; Larotrectinib (LOXO-101 free base); example 14 [US8865698 B2]; ZINC118399834; CS-5722; DB14723; NSC-785570; NSC-801004; AC-33660; AS-35231; HY-12866; J3.628.138C; D11137; US8865698, 14; Q27081513; ARRY-470;ARRY 470 : LOXO-101; LOXO101; Larotrectinib; ARRY470;ARRY-470;ARRY 470;LOXO 101;LOXO101;Larotrectinib; (3S)-N-(5-((2R)-2-(2,5-Difluorophenyl)pyrrolidin-1-yl)pyrazolo(1,5-a)pyrimidin-3-yl)-3-hydroxypyrrolidine- 1-carboxamide; (S)-N-(5 -((R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide; (S)-N-(5-((R)-2-(2,5-difluorophenyl)pyrrolidin -1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide; (S)-N-(5-((R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide; (S)-N-(5-((R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3 yl)-3-hydroxypyrrolidine-1-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	428.4	C21H22F2N6O2	86	659	1.7	31	2	7	3	"1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31)/t14-,18+/m0/s1"	C1C[C@@H](N(C1)C2=NC3=C(C=NN3C=C2)NC(=O)N4CC[C@@H](C4)O)C5=C(C=CC(=C5)F)F	NYNZQNWKBKUAII-KBXCAEBGSA-N
DG01264	LY2835219	46220502	"Abemaciclib; 1231929-97-7; LY2835219; LY2835219 free base; Verzenio; LY-2835219; UNII-60UAB198HK; N-(5-((4-ethylpiperazin-1-yl)methyl)pyridin-2-yl)-5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-amine; Abemaciclib (ly2835219); 60UAB198HK; N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine; LY 2835219; HY-16297A; CS-1230; N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-1,3-benzodiazol-5-yl)pyrimidin-2-amine; N-{5-[(4-Ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]pyrimidin-2-amine; LY2835219 (free base); Abemaciclib [USAN:INN]; Abemaciclib,LY2835219; Verzenios; rimidin-2-amine; Verzenio (TN); 6ZV; N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine; CDK4/6 dual inhibitor; LY2835210; Abemaciclib (JAN/USAN); GTPL7382; SCHEMBL2487229; CHEMBL3301610; DTXSID20673119; EX-A521; LY 2835219 (free base); C27H32F2N8; HMS3673I05; BCP13079; EX-A1588; 3798AH; BDBM50110183; MFCD22665744; NSC768073; NSC783671; s5716; ZINC72318121; 1231929-97-7, Verzenio,; AKOS025404907; LY2835219 free base (Abemaciclib); CCG-269750; DB12001; NSC-768073; NSC-783671; SB16476; NCGC00351599-02; NCGC00351599-06; 2-Pyrimidinamine, N-(5-((4-ethyl-1-piperazinyl)methyl)-2-pyridinyl)-5-fluoro-4-(4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl); 5-(4-ethylpiperazin-1-ylmethyl)pyridin-2-yl)-(5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl)amine; 5-(4-ethylpiperazin-1-ylmethyl)pyridin-2-yl)-(5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzoimidazol-5-yl)pyrimidin-2-yl)amine; AC-30666; AS-10230; DA-33422; QC-11713; LY2835219 Ms salt, Abemaciclib Ms salt; FT-0700134; LY 2835210; A12989; D10688; J-690083; Q23901483; [5-(4-ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-[5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzoimidazol-5-yl)-pyrimidin-2-yl]-amine; 2-Pyrimidinamine, N-[5-[(4-ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]-; 2-Pyrimidinamine,N-[5-[(4-ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]-; LY-2835219; ; ; N-[5-[(4-Ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine; N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	DR00097	DR0028	506.6	C27H32F2N8	75	723	3.8	37	1	9	7	"1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)"	CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F	UZWDCWONPYILKI-UHFFFAOYSA-N
DG01265	Palbociclib	5330286	"Palbociclib; 571190-30-2; PD-0332991; Ibrance; PD0332991; PD 0332991; UNII-G9ZF61LE7G; Palbociclib free base; 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one; PD-332991; 571190-30-2 (free base); MFCD11840850; 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE; 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one; G9ZF61LE7G; Palbociclib(PD0332991); PD 332991; 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-ylpyridin-2-ylamino)-8H-pyrido(2,3-d)pyrimidin-7-one; CHEBI:85993; 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one; 6-acetyl-8-cyclopentyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one; LQQ; C24H29N7O2; 2euf; 571190-30-2 pound not827022-32-2; Palbociclib [USAN:INN]; [d8]-Palbociclib; Ibrance (TN); Palbociclib- Bio-X; Kinome_3823; Kinome_3824; 6-acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8h-pyrido[2,3-d]pyrimidin-7-one hydrochloride; Palbociclib (JAN/USAN); SCHEMBL462630; BDBM6309; CHEMBL189963; GTPL7380; PD 0332991 (Palbociclib); DTXSID40972590; EX-A408; QCR-200; 2euf; PD 0332991; OTAVA-BB 1115529; BCPP000125; HMS3265M09; HMS3265M10; HMS3265N09; HMS3265N10; HMS3744G13; AMY14886; AOB87334; BCP09274; BCP18381; ZINC3938686; NSC758247; NSC772256; NSC800815; s4482; AKOS022205241; BCP9001058; CA10003; DB09073; NSC-758247; NSC-772256; NSC-800815; SB40426; Pyrido-[2,3-d]-pyrimidin-7-one 43; NCGC00263129-01; NCGC00263129-08; NCGC00263129-21; NCGC00263129-22; AC-25485; AS-17016; BP166224; HY-50767; SY026143; FT-0697059; X7379; A14427; D10372; 190P302; PD 0332991,PD0332991; PD-0332991, PD0332991; BRD-K51313569-001-01-1; P-0332991; Q15269707; 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one; 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[6,5-d]pyrimidin-7-one; 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one; 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)-pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one; 6-acetyl-8-cyclopentyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one; 8-cyclopentyl-6-acetyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one; Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(1-piperazinyl)-2-pyridinyl)amino)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85993	DB09073	DR01288	DR1229	447.5	C24H29N7O2	103	775	1.8	33	2	8	5	"1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)"	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N
DG01266	Ribociclib	44631912	"Ribociclib; 1211441-98-3; LEE011; Ribociclib (LEE011); LEE-011; Kisqali; LEE 011; UNII-TK8ERE8P56; 7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide; TK8ERE8P56; LEE011A; 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide; 7-cyclopentyl-N,N-dimethyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide; 7-cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-7H-pyrrolo [2,3-d]pyrimidine-6-carboxylic acid dimethylamide; 7-Cyclopentyl-N,N-dimethyl-2-(5-(piperazin-1-yl)pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide; 7-Cyclopentyl-N,N-dimethyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide; Ribociclib(LEE011); Ribociclib, LEE011; Ribociclib [USAN:INN]; Ribociclib-[d6]; Ribociclib (USAN/INN); NVP-LEE011; SCHEMBL302310; GTPL7383; LEE-011A; CHEMBL3545110; EX-A304; SYN1213; BDBM148264; HMS3653N03; HMS3673I19; HMS3748M05; example 74 [US8962630]; AMY16792; AOB87725; BCP08804; 2513AH; MFCD27976795; NSC778909; NSC794613; NSC800867; s7440; ZINC72316335; AKOS025404915; AKOS032949987; CCG-269070; CS-1750; DB11730; NSC-778909; NSC-794613; NSC-800867; SB18480; NCGC00386317-10; NCGC00386317-11; AC-30029; AS-10159; DA-35904; HY-15777; LEE-011; LEE 011;LEE011; FT-0700117; SW220101-1; D10883; US8962630, 74; A858033; J-690066; Q27088552; 6-(1H-Indazol-6-yl)-N-[4-(4-morpholinyl)phenyl]-Imidazo[1,2-a]pyrazin-8-amine; 6ZZ; 7-cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11730	.	.	434.5	C23H30N8O	91.2	636	2.2	32	2	7	5	"1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)"	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N
DG01267	Gilteritinib	49803313	"Gilteritinib; 1254053-43-4; ASP2215; ASP-2215; Xospata; UNII-66D92MGC8M; ASP 2215; 6-Ethyl-3-((3-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)-amino)-5-((tetrahydro-2H-pyran-4-yl)amino)pyrazine-2-carboxamide; 66D92MGC8M; Gilteritinib HCl; 6-Ethyl-3-((3-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino)-5-((tetrahydro-2H-pyran-4-yl)amino)pyrazine-2-carboxamide; 2-Pyrazinecarboxamide, 6-ethyl-3-((3-methoxy-4-(4-(4-methyl-1-piperazinyl)-1-piperidinyl)phenyl)amino)-5-((tetrahydro-2H-pyran-4-yl)amino)-; 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide; 6-ethyl-3-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide; Gilteritinib [USAN:INN]; gilteritinibum; 2-Pyrazinecarboxamide, 6-ethyl-3-[[3-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]amino]-5-[(tetrahydro-2H-pyran-4-yl)amino]-; C6F; Gilteritinib(ASP2215); Gilteritinib (USAN/INN); Gilteritinib (ASP2215); Gilteritinib (ASP-2215); SCHEMBL282229; GTPL8708; CHEMBL3301622; CHEBI:145372; BDBM144315; C29H44N8O3; BCP28756; EX-A2775; 3694AH; MFCD28144685; NSC787846; NSC787854; NSC788454; NSC800106; s7754; ZINC113476229; CCG-270016; CS-3885; DB12141; NSC-787846; NSC-787854; NSC-788454; NSC-800106; SB16988; NCGC00481652-01; NCGC00481652-02; AC-29030; AS-35199; BG166434; HY-12432; QC-11768; DB-108103; A14411; D10709; A901674; US8969336, 547; US8969336, 577; Q27077802; 6-ethyl-3-((3-methoxy-4-(4-(4-methyl-1-piperazinyl)-1-piperidinyl)phenyl)amino)-5-((tetrahydro-2H-pyran-4-yl)amino)-2-pyrazinecarboxamide; 6-ethyl-3-({3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}amino)-5-(tetrahydro-2H-pyran-4-ylamino)pyrazine-2-carboxamide; 6-Ethyl-3-[3-methoxy-4-[4-(4-methylpiperazine-1-yl)piperidino]anilino]-5-[(tetrahydro-2H-pyran-4-yl)amino]pyrazine-2-carboxamide; 6-ethyl-3-{3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino}-5-(tetrahydro-2H-pyran-4-ylamino)pyrazine-2-carboxamide; 6-ethyl-3-{3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino}-5-[(oxan-4-yl)amino]pyrazine-2-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:145372	DB12141	DR00358	DR0772	552.7	C29H44N8O3	121	785	3.5	40	3	10	9	"1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)"	CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)OC)NC5CCOCC5	GYQYAJJFPNQOOW-UHFFFAOYSA-N
DG01268	Venetoclax	49846579	"Venetoclax; 1257044-40-8; ABT-199; Venclexta; GDC-0199; ABT199; ABT 199; Venetoclax (ABT199); UNII-N54AIC43PW; GDC 0199; RG7601; Venetoclax; Abt-199; 4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide; Venetoclax (ABT-199); RG-7601; N54AIC43PW; ABT-199 (GDC-0199); 2-(1H-Pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methy; 4-[4-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-benzamide; venclyxto; BDBM189459; 4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-((tetrahydro-2H-pyran-4-ylmethyl)amino)phenyl)sulfonyl)-2-(1H-pyrrolo(2,3-b)pyridin-5-yloxy)benzamide; 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-({3-nitro-4-[(oxan-4-ylmethyl)amino]benzene}sulfonyl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide; 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-n-({3-nitro-4-[(tetrahydro-2h-pyran-4-ylmethyl)amino]phenyl}sulfonyl)-2-(1h-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide; 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzene-1-sulfonyl)-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide; benzamide, 4-(4-((2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl)methyl)-1-piperazinyl)-n-((3-nitro-4-(((tetrahydro-2h-pyran-4-yl)methyl)amino)phenyl)sulfonyl)-2-(1h-pyrrolo(2,3-b)pyridin-5-yloxy)-; Venetoclax [USAN:INN]; Venclexta (TN); Benzamide, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-; Venetoclax(ABT-199); C45H50ClN7O7S; MLS006010298; SCHEMBL523816; Venetoclax (JAN/USAN/INN); AMY343; GTPL8318; CHEMBL3137309; SCHEMBL19236295; BDBM60828; AOB5080; DTXSID30154863; EX-A168; CHEBI:133021; HMS3653J06; HMS3745E07; BCP06811; BDBM50162774; MFCD23160052; NSC766270; AKOS025289539; ZINC150338755; CCG-270543; CS-1155; DB11581; KS-1470; NSC-766270; SB16499; NCGC00345789-01; NCGC00345789-05; NCGC00345789-10; NCGC00345789-11; AC-28754; DA-35360; HY-15531; QC-11704; SMR004701366; FT-0699586; S8048; SW219672-1; X3609; J3.516.625D; D10679; US9174982, 5; A850921; US9174982, 369; J-005269; Q23671272; 2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)benzamide; 4-[4-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide; 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(tetrahydropyran-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide; 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl; ABT-199; ; ; GDC 0199; ; ; 4-[4-[[2-(4-Chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:133021	DB11581	DR00008	.	868.4	C45H50ClN7O7S	183	1640	8.2	61	3	11	12	"1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)"	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N
DG01270	Copanlisib	135565596	"Copanlisib; 1032568-63-0; BAY 80-6946; Aliqopa; BAY-80-6946; BAY80-6946; UNII-WI6V529FZ9; BAY 80-6946 (Copanlisib); 2-amino-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide; WI6V529FZ9; Copanlisib (BAY 80-6946); 2-Amino-N-[2,3-dihydro-7-methoxy-8-[3-(4-morpholinyl)propoxy]imidazo[1,2-c]quinazolin-5-yl]-5-pyrimidinecarboxamide; 2-amino-N-(7-methoxy-8-(3-morpholinopropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyrimidine-5-carboxamide; 2-amino-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide; copanlisibum; Copanlisib tris-HCl; Copanlisib (USAN/INN); Copanlisib [USAN:INN]; GTPL7875; SCHEMBL1655478; BAY 80-6946; Copanlisib; BAY-80-6946 tris-HCl; Copanlisib; BAY-80-6946; CHEMBL3218576; SCHEMBL13084037; DTXSID00145728; CHEBI:173077; C23H28N8O4; BCP04754; EX-A2005; 2253AH; BDBM50204093; MFCD18633201; NSC760443; NSC800076; NSC809693; NSC816437; s2802; ZINC68247389; AKOS025290222; BAY-806946; CS-0741; DB12483; NSC-760443; NSC-800076; NSC-809693; NSC-816437; PB22956; VS-0128; NCGC00346457-01; NCGC00346457-02; NCGC00346457-04; 2-amino-N-(7-methoxy-8-(3-morpholinopropoxy)-2,3-dihydroimidazo(1,2-c)quinazolin-4-yl)pyrimidine-5-carboxamide; AC-28438; BC164810; HY-15346; QC-10511; D10867; Q19903876; 2-amino-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1.2-c]quinazolin-5-yl]pyrimidine-5-carboxamide; 2-amino-N-{7-methoxy-8-[3-(morpholin-4-yl)propoxy]-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}pyrimidine-5-carboxamide; BAY-80-6946; ; ; 2-Amino-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12483	.	DR0378	480.5	C23H28N8O4	140	974	0.3	35	2	9	7	"1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14,25H,2,5-12H2,1H3,(H2,24,26,27)"	COC1=C(C=CC2=C3NCCN3C(=NC(=O)C4=CN=C(N=C4)N)N=C21)OCCCN5CCOCC5	MWYDSXOGIBMAET-UHFFFAOYSA-N
DG01271	IPI-145	50905713	"Duvelisib; 1201438-56-3; IPI-145; INK-1197; (S)-3-(1-((9H-Purin-6-yl)amino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one; UNII-610V23S0JI; IPI 145; Copiktra; IPI-145 (INK1197); (S)-3-(1-(9H-purin-6-ylamino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one; 610V23S0JI; INK-1147; 8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-one; Duvelisib (IPI-145, INK1197); Copiktra (TN); Duvelisib monohydrate; IPI145; Duvelisib [USAN:INN]; Duvelisib hydrate; 1(2H)-Isoquinolinone, 8-chloro-2-phenyl-3-((1S)-1-(9H-purin-6-ylamino)ethyl)-; 1(2H)-Isoquinolinone, 8-chloro-2-phenyl-3-[(1S)-1-(9H-purin-6-ylamino)ethyl]-; INK1197; Duvelisib (USAN/INN); Duvelisib (IPI-145); SCHEMBL153543; GTPL7795; CHEMBL3039502; SCHEMBL18343557; SCHEMBL19670020; SCHEMBL20580104; DTXSID80152697; SYN1175; CHEBI:131169; AMY24208; AOB87713; BCP07042; EX-A1562; BDBM50193013; MFCD15144635; NSC772469; s7028; ZINC88346058; AKOS022186370; AKOS037515795; IPI-145, INK 1197, Duvelisib; CCG-268854; CS-0888; DB11952; NSC-772469; 8-chloro-2-phenyl-3-((1S)-1-(9H-purin-6-ylamino)ethyl)-1(2H)-isoquinolinone; NCGC00351482-01; AC-30239; AS-16309; compound 4904 [Patent US8193182]; HY-17044; QC-10232; SW219822-1; X5816; D10555; Q27077129; IPI-145 pound>>INK1197; IPI 145; IPI145; INK-1197; INK 1197; (S)-3-(1-(7H-purin-6-ylamino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one; 8-Chloro-2-phenyl-3-((1S)-1-(7H-purin-6-ylamino)ethyl)isoquinolin-1(2H)-one; INK-1197; ; ; IPI-145; ; ; 8-Chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:131169	.	DR00276	.	416.9	C22H17ClN6O	86.8	668	4.1	30	2	5	4	"1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1"	C[C@@H](C1=CC2=C(C(=CC=C2)Cl)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	SJVQHLPISAIATJ-ZDUSSCGKSA-N
DG01274	Rimegepant	51049968	"Rimegepant; 1289023-67-1; BMS-927711; BMS 927711; UNII-997WVV895X; BHV-3000; BMS927711; CHEMBL2178422; C28H28F2N6O3; 997WVV895X; Nurtec ODT; [(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate; (5S,6S,9R)-5-Amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl 4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate; Rimegepant [USAN:INN]; Vydura; Rimegepant (USAN/INN); BMS-927711(Rimegepant); SCHEMBL1670580; Rimegepant (BMS-927711); GTPL10704; BHV3000; DTXSID70156003; EX-A1922; 3504AH; BDBM50400098; s6659; ZINC68267814; AT13249; compound 8 [PMID: 23153230]; CS-1027; DB12457; NCGC00378677-01; BR174969; HY-15498; A13102; D10662; Q27272184; [(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12457	DR00758	.	534.6	C28H28F2N6O3	114	891	2.3	39	2	8	4	"1S/C28H28F2N6O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37)/t18-,22+,24-/m0/s1"	C1C[C@H](C2=C(C=CC=N2)[C@H]([C@@H]1C3=C(C(=CC=C3)F)F)N)OC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6	KRNAOFGYEFKHPB-ANJVHQHFSA-N
DG01286	MK-1439	58460047	"Doravirine; 1338225-97-0; MK-1439; Pifeltro; 3-chloro-5-[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)pyridin-3-yl]oxybenzonitrile; MK1439; UNII-913P6LK81M; 3-Chloro-5-((1-((4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile; Doravirine (MK-1439); 913P6LK81M; 3-Chloro-5-({1-[(4-Methyl-5-Oxo-4,5-Dihydro-1h-1,2,4-Triazol-3-Yl)methyl]-2-Oxo-4-(Trifluoromethyl)-1,2-Dihydropyridin-3-Yl}oxy)benzonitrile; Doravirine [USAN:INN]; 4ncg; Pifeltro (TN); MK 1439; Doravirine, MK-1439; Doravirine; MK-1439; MK-1439(Doravirine); C17H11ClF3N5O3; Doravirine (JAN/USAN/INN); Mk-1439a; SCHEMBL2509885; CHEMBL2364608; DTXSID30158386; AMY16781; BCP02296; EX-A1968; BDBM50508293; MFCD22417167; s6492; ZINC72317283; AKOS030528603; CS-5924; DB12301; SB17104; NCGC00508866-01; AC-33637; HY-16767; DB-091410; D10624; F53303; A856128; Q6885419; S900006160; 2KW; 3-chloro-5-[[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-3-pyridyl]oxy]benzonitrile; Benzonitrile, 3-chloro-5-((1-((4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl)-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl)oxy)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	DR0533	425.7	C17H11ClF3N5O3	98	860	2.1	29	1	8	4	"1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)"	CN1C(=NNC1=O)CN2C=CC(=C(C2=O)OC3=CC(=CC(=C3)C#N)Cl)C(F)(F)F	ZIAOVIPSKUPPQW-UHFFFAOYSA-N
DG01291	Trilaciclib	68029831	"Trilaciclib; 1374743-00-6; G1T28; UNII-U6072DO9XG; U6072DO9XG; 2'-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-7',8'-dihydro-6'H-spiro[cyclohexane-1,9'-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidin]-6'-one; Cosela; 2'-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-7',8'-dihydro-6'H-spiro(cyclohexane-1,9'-pyrazino(1',2':1,5)pyrrolo(2,3-d)pyrimidin)-6'-one; Trilaciclib [USAN]; G1T28(Trilaciclib); G1T28 di-HCl; Trilaciclib (USAN/INN); GTPL9626; CHEMBL3894860; SCHEMBL10082028; BDBM253928; BCP25013; EX-A4297; NSC816987; DB15442; NSC-816987; SB19783; US9464092, T; HY-101467; CS-0021431; A17084; D11130; 2'-((5-(4-Methyl-1-piperazinyl)-2-pyridinyl)amino)-7',8'-dihydro-6'H-spiro(cyclohexane-1,9'-pyrazino(1',2':1,5)pyrrolo(2,3-d)pyrimidin)-6'-one; 2-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]spiro[7,8-dihydropyrazino[5,6]pyrrolo[1,2-d]pyrimidine-9,1'-cyclohexane]-6-one; 4-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one; Spiro(cyclohexane-1,9'(6'H)-pyrazino(1',2':1,5)pyrrolo(2,3-d)pyrimidin)-6'-one, 7',8'-dihydro-2'-((5-(4-methyl-1-piperazinyl)-2-pyridinyl)amino)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	446.5	C24H30N8O	91.2	707	2.6	33	2	7	3	"1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)"	CN1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C5C(=O)NCC6(N5C4=N3)CCCCC6	PDGKHKMBHVFCMG-UHFFFAOYSA-N
DG01299	Deutetrabenazine	73437646	"Deutetrabenazine; Tetrabenazine-d6; Tetrabenazine D6; 1392826-25-3; Austedo; Ro 1-9569 D6; SD809; (3R,11bR)-3-(2-methylpropyl)-9,10-bis(trideuteriomethoxy)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one; SD-809; rel-(3R,11bR)-3-isobutyl-9,10-bis(methoxy-d3)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one; Austedo (TN); Deutetrabenazine (USAN/INN); GTPL8707; SCHEMBL16227993; HY-B0590S; EX-A4770; D10701; Q27077026; UNII-P341G6W9NB component MKJIEFSOBYUXJB-VFJJUKLQSA-N; [2H6]-(+)-Tetrabenazine; ; ; [2H6]-(+)- 9,10-Dimethoxy-1,3R,4,6,7,11bR-hexahydro-3-isobutyl-2H-benzo[a]quinolizin-2-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12161	.	.	323.5	C19H27NO3	38.8	425	2.9	23	0	4	4	"1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m1/s1/i3D3,4D3"	[2H]C([2H])([2H])OC1=C(C=C2[C@H]3CC(=O)[C@@H](CN3CCC2=C1)CC(C)C)OC([2H])([2H])[2H]	MKJIEFSOBYUXJB-VFJJUKLQSA-N
DG01300	Tetrabenazine	6018	"TETRABENAZINE; 58-46-8; Nitoman; Tetrabenzaine; 718635-93-9; Rubigen; Tetrabenzine; tetra Benazin; Xenazine; Tetrabenazine (Racemate); Ro 1-9569; 3-isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one; Tetrabenazine Racemate; Ro 1-9569 Racemate; Tetrabenazinum; Tetrabenazinum [INN-Latin]; Tetrabenazina [INN-Spanish]; 9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one; 9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one; 9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-one; MLS003106727; Ro 1-9569/12; CHEMBL117785; CHEBI:64028; (-)-tetrabenazine; Ro-19569; 2-Oxo-3-isobutyl-9,10-dimethoxy-1,2,3,4,6,7-hexahydro-11bH-benzo[a]quinolizine; NSC-169886; NCGC00160421-01; NSC 169886; 1,2,4,6,7,11b-Hexahydro-3-isobutyl-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one; 3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one; 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one; DSSTox_CID_22614; DSSTox_RID_80059; DSSTox_GSID_42614; 1,3,4,6,7,11b-Hexahydro-3-isobutyl-9,10-dimethoxy-2H-benzo(a)quinolizin-2-one; 2-oxo-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-benzoquinolizine; CAS-58-46-8; Xenazine (TN); SMR000718664; Nitoman (TN); WLN: T B666 DV GNTT&J E1Y1&1 LO1 MO1; Tetrabenazin; Revocon; 2-Oxo-3-isobutyl-9,2,3,4,6,7-hexahydro-11bH-benzo[a]quinolizine; 2-Oxo-3-isobutyl-9,3,4,6,7,11.beta.-hexahydro-2H-benzoquinolizine; 1,4,6,7,11b-Hexahydro-3-isobutyl-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one; 2H-Benzo[a]quinolizin-2-one,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-; 2H-Benzo[a]quinolizin-2-one,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-; 2H-Benzo(a)quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-; Tetrabenazine- Bio-X; Nitoman;Ro 1-9569; Tetrabenazine (JAN/INN); TimTec1_002217; Oprea1_264344; SCHEMBL62026; MLS001249426; MLS001249497; GTPL4834; HY-B0590A; Tetrabenazine Related Impurity 2; HMS1540E17; HMS2966E06; HMS3263I14; HMS3430F03; HMS3884E10; Tetrabenazine (Nitoman, Xenazine); ACT06890; BCP15831; BCP24156; EX-A2361; Tox21_111803; Tox21_501086; BDBM50017701; MFCD00042740; MFCD08461052; MFCD11519951; NSC169886; NSC172187; s1789; STK678061; AKOS001681311; AKOS016347602; Tox21_111803_1; CCG-118217; CS-5700; DB04844; LP01086; MCULE-5822627411; NSC-172187; PB21652; PB25061; PB38735; SB49797; SDCCGSBI-0633786.P001; 2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-; 9,10-Dimethoxy-1,3,4,6,7,11b-hexahydro-3-isobutyl-2H-benzo[a]quinolizin-2-one; NCGC00160421-02; NCGC00160421-03; NCGC00160421-06; NCGC00261771-01; AS-35785; BT164463; SY055407; RO-1-9569; FT-0674921; FT-0700948; FT-0771873; FT-0772314; Z3433; 2105-47-7; D08575; A856325; A917912; Q413050; SR-01000833864; SR-01000833864-4; BRD-A47564106-001-01-8; Z1563146114; 2-Oxo-3-isobutyl-9,10-dimethoxy-1,2,3,4,6,7,11b-hexahydro-2H-benzo(a)quinolizine; 2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7, 11b-hexahydro-3-isobutyl-9,10-dimethoxy-,; 3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one #; 3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-pyrido[2,1-a]isoquinolin-2-one; 3-isobutyl-9-,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-benzo[a]quinolizin-2-one; Tetrabenazine (3r,11br)-rel-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2h-benzo[a]quinolizin-2-one; Tetrabenazine, racemic mixture; ; ; 9,10-Dimethoxy-1,3,4,6,7,11b-hexahydro-3-isobutyl-2H-benzo[a]quinolizin-2-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:64028	DB12161	DR01035	DR1567	317.4	C19H27NO3	38.8	425	2.9	23	0	4	4	"1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3"	CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC	MKJIEFSOBYUXJB-UHFFFAOYSA-N
DG01301	Valbenazine	24795069	"Valbenazine; 1025504-45-3; Ingrezza; UNII-54K37P50KH; NBI 98854; 54K37P50KH; L-Valine, (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-yl ester; Valbenazine [USAN:INN]; L-Valine, (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo(a)quinolizin-2-yl ester; ValbenazineNBI-98854; Valbenazine (USAN/INN); GTPL8694; CHEMBL2364639; SCHEMBL15932979; Mt-5199; EX-A2002; MFCD28963976; ZINC43195697; CS-5908; DB11915; NCGC00522306-02; (2R,3R,11bR)-9,10-Dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H- benzo(a)quinolizin-2-yl L-valinate; [(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl] (2S)-2-amino-3-methylbutanoate; AC-30929; AS-35294; HY-16771; Valine 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo(a)quinolizin-2-yl ester; D10675; NBI-98854;NBI98854;NBI 98854; Q27089118; (2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl L-valinate; (S)-2-amino-3-methyl-butyric acid (2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl ester; [(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl] (2S)-2-amino-3-methylbutanoate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12161	DR01064	DR1665	418.6	C24H38N2O4	74	569	4.3	30	1	6	8	"1S/C24H38N2O4/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3/t17-,19-,20-,23+/m1/s1"	CC(C)C[C@@H]1CN2CCC3=CC(=C(C=C3[C@H]2C[C@H]1OC(=O)[C@H](C(C)C)N)OC)OC	GEJDGVNQKABXKG-CFKGEZKQSA-N
DG01304	Pemigatinib	86705695	"Pemigatinib; 1513857-77-6; INCB054828; Pemazyre; UNII-Y6BX7BL23K; Y6BX7BL23K; Fgfr inhibitor INCB054828; INCB54828; INCB-54828; INCB-054828; 1513857-77-6 (free base); 3-(2,6-Difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholinomethyl)-1,3,4,6-tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one; 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-[(morpholin-4-yl)methyl]-1,3,4,7-tetrahydro-2Hpyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one; Pemazyre (TN); Pemigatinib [INN]; Pemigatinib [USAN]; Pemigatinib [USAN:INN]; Pemigatinib (JAN/USAN/INN); GTPL9767; Pemigatinib (INCB054828); CHEMBL4297522; SCHEMBL15556271; BDBM301310; INCB 54828; EX-A4049; NSC816556; US10131667, Example 126; AT15587; DB15102; INCB054828INCB054828; NSC-816556; AS-78489; example 126 [WO2014007951]; HY-109099; CS-0039499; D11417; A936247; 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one; 2H-Pyrrolo(3',2':5,6)pyrido(4,3-d)pyrimidin-2-one, 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-1,3,4,7-tetrahydro-8-(4-morpholinylmethyl)-; 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholin-4-ylmethyl)-1,3,4,7-tetrahydro-2H-pyrrolo[3'',2'':5,6]pyrido[4,3-d]pyrimidin-2-one; 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholin-4-ylmethyl)-1,3,4,7-tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one; 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholin-4-ylmethyl)-4,7-dihydropyrrolo[4,5]pyrido[1,2-d]pyrimidin-2-one; 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholinomethyl)-3,4-dihydro-1H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2(7H)-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	487.5	C24H27F2N5O4	83.2	731	1.8	35	1	8	6	"1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)"	CCN1C2=C3C=C(NC3=NC=C2CN(C1=O)C4=C(C(=CC(=C4F)OC)OC)F)CN5CCOCC5	HCDMJFOHIXMBOV-UHFFFAOYSA-N
DG01306	Avapritinib	118023034	"Avapritinib; BLU-285; 1703793-34-3; Ayvakit; BLU285; (1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine; UNII-513P80B4YJ; 513P80B4YJ; Ayvakyt; MFCD31544325; Avapritinib [INN]; Ayvakit (TN); Avapritinib (USAN/INN); Avapritinib (BLU-285); BLU-285 (Avapritinib); CHEMBL4204794; SCHEMBL16652297; GTPL10368; BLU 285; BDBM469269; AMY16753; EX-A1366; US10807985, Compound 44; NSC801082; s8553; AKOS037648993; CCG-269677; CS-7577; DB15233; NSC-801082; AC-31598; BB166456; BS-16206; HY-101561; C-366; 70C366; D11279; X720776; X-720776; Q29213676; (1S)-1-(4-Fluorophenyl)-1-(2-(4-(6-(1-methyl-1H-pyrazol-4-yl)pyrrolo(2,1-f)(1,2,4)triazin-4-yl)-1-piperazinyl)-5-pyrimidinyl)ethanamine; (S)-1-(4-Fluorophenyl)-1-(2-(4-(6-(1-methyl-1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazin-1-yl)pyrimidin-5-yl)ethan-1-amine; (S)-1-(4-fluorophenyl)-1-(2-(4-(6-(1-methyl-1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazin-1-yl)pyrimidin-5-yl)ethanamine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	498.6	C26H27FN10	106	752	1.9	37	1	9	5	"1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1"	C[C@](C1=CC=C(C=C1)F)(C2=CN=C(N=C2)N3CCN(CC3)C4=NC=NN5C4=CC(=C5)C6=CN(N=C6)C)N	DWYRIWUZIJHQKQ-SANMLTNESA-N
DG01307	Pralsetinib	129073603	"Pralsetinib; BLU-667; 2097132-94-8; Pralsetinib free base; cis-Pralsetinib; Blu667; trans-Pralsetinib; UNII-1WPE73O1WV; 1WPE73O1WV; BLU123244; 2097132-94-8 (free base); 2097132-93-7; N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridin-3-yl]ethyl]-1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide; X581238; cis-N-{(1S)-1-[6-(4-fluoro-1H-pyrazol-1-yl)pyridin-3-yl]ethyl}-1-methoxy-4-{4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}cyclohexane-1-carboxamide; Gavreto; Cyclohexanecarboxamide, N-((1S)-1-(6-(4-fluoro-1H-pyrazol-1-yl)-3-pyridinyl)ethyl)-1-methoxy-4-(4-methyl-6-((5-methyl-1H-pyrazol-3-yl)amino)-2-pyrimidinyl)-, cis-; cyclohexanecarboxamide, N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]-, cis-; Q4J; Pralsetinib [INN]; Pralsetinib [USAN]; Blu667Blu667; cis-BLU-667; Pralsetinib (USAN/INN); BLU-667 (Pralsetinib); CHEMBL4582651; SCHEMBL18789228; SCHEMBL18789229; SCHEMBL18806610; GTPL10033; BDBM435009; BDBM435010; AMY16875; EX-A1944; EX-A3347; NSC811429; s8716; US10584114, Compound 129; US10584114, Compound 130; WHO 11004; AKOS037648884; BLU-123244; HY-112301A; NSC-811429; BS-15942; HY-112301; CS-0043448; CS-0044766; D11712; X-581238; (cis)-N-((S)-1-(6-(4-Fluoro-1H-pyrazol-1-yl)pyridin-3-yl)ethyl)-1-methoxy-4-(4-methyl-6-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-yl)cyclohexanecarboxamide; BLU-667; trans-N-{(1S)-1-[6-(4-fluoro-1H-pyrazol-1-yl)pyridin-3-yl]ethyl}-1-methoxy-4-{4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}cyclohexane-1-carboxamide; trans-N-{(1S)-1-[6-(4-fluoro-1H-pyrazol-1-yl)pyridin-3-yl]ethyl}-1-methoxy-4-{4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}cyclohexane-1-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	533.6	C27H32FN9O2	136	816	3.1	39	3	9	8	"1S/C27H32FN9O2/c1-16-11-22(33-23-12-17(2)35-36-23)34-25(31-16)19-7-9-27(39-4,10-8-19)26(38)32-18(3)20-5-6-24(29-13-20)37-15-21(28)14-30-37/h5-6,11-15,18-19H,7-10H2,1-4H3,(H,32,38)(H2,31,33,34,35,36)/t18-,19 ,27 /m0/s1"	CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3CCC(CC3)(C(=O)N[C@@H](C)C4=CN=C(C=C4)N5C=C(C=N5)F)OC	GBLBJPZSROAGMF-SIYOEGHHSA-N
DG01308	Teicoplanin	133065662	Targocid; Antibiotic 8327A; Teichomycin; MDL 507; Tecoplanina; Tecoplanine; Tecoplaninum; Teicoplanina; Teicoplanine; Teicoplaninum; Teico-planin; 61036-62-2; Teicoplanine [French]; Teicoplaninum [Latin]; Teicoplanina [Spanish]; Tecoplanine [INN-French]; Tecoplaninum [INN-Latin]; Tecoplanina [INN-Spanish]; Teicoplanine [INN-French]; Teicoplaninum [INN-Latin]; Teicoplanina [INN-Spanish]; UNII-4U3D3YY81M; Teicoplanin [USAN:INN:BAN]; 4U3D3YY81M; GTPL10924; BDBM512667; NSC 759183; 8327A	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	1879.7	C88H97Cl2N9O33	662	3920	0.5	132	24	34	20	"1S/C88H97Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88 /m1/s1"	CCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)OC8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]1C2=CC(=CC(=C2)OC2=C(C=CC(=C2)[C@H](C(=O)N[C@H](CC2=CC(=C(O3)C=C2)Cl)C(=O)N1)N)O)O)O)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)Cl)CO)O)O	BJNLLBUOHPVGFT-CAYRISATSA-N
DG01309	Selpercatinib	134436906	"Selpercatinib; 2152628-33-4; LOXO-292; CEGM9YBNGD; UNII-CEGM9YBNGD; LOXO292; 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile; 6-(2-hydroxy-2-methylpropoxy)-4-(6-(6-((6-methoxypyridin-3-yl)methyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile; LY3527723; 6-(2-Hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]hept-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile; Serpercatinib; Retevmo; 6-(2-Hydroxy-2-methylpropoxy)-4-(6-(6-((6-methoxypyridin-3-yl)methyl)-3,6-diazabicyclo(3.1.1)heptan-3-yl)pyridin-3-yl)pyrazolo(1,5-a)pyridine-3-carbonitrile; Retevmo (TN); Selpercatinib [INN]; Selpercatinib [USAN]; Ret inhibitor loxo-292; LOXO-292; Selpercatinib; Selpercatinib(LOXO-292); CHEMBL4559134; SCHEMBL20071478; Selpercatinib (JAN/USAN/INN); GTPL10318; BDBM296429; BCP29047; CLD62833; EX-A2859; NSC818434; s8781; WHO 10967; ZB1574; US10112942, Example 163; US10112942, Example 166; US10112942, Example 183; AKOS037649115; NSC-818434; AC-31588; BS-16622; LOXO-292;LOXO 292;LOXO292; Selpercatinib (LOXO-292, ARRY-192); example 163 [WO2018071447A1]; HY-114370; CS-0084279; LY-3527723; D11713; D77980; A929273; Pyrazolo(1,5-a)pyridine-3-carbonitrile, 6-(2-hydroxy-2-methylpropoxy)-4-(6-(6-((6-methoxy-3-pyridinyl)methyl)-3,6-diazabicyclo(3.1.1)hept-3-yl)-3-pyridinyl)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	525.6	C29H31N7O3	112	885	2.5	39	1	9	8	"1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3"	CC(C)(COC1=CN2C(=C(C=N2)C#N)C(=C1)C3=CN=C(C=C3)N4CC5CC(C4)N5CC6=CN=C(C=C6)OC)O	XIIOFHFUYBLOLW-UHFFFAOYSA-N
DG01311	Olanzapine	135398745	"Olanzapine; 132539-06-1; Zyprexa; Olansek; Zyprexa Zydis; Zalasta; Zyprexa Velotab; Zyprexa Intramuscular; Zolafren; Zypadhera; LY-170053; 2-Methyl-4-(4-methylpiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine; 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine; Olzapin; Lanzac; Oferta; Olanzapine Mylan; LY 170053; 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine; C17H20N4S; UNII-N7U69T4SZR; 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine; LY170053; 10H-thieno[2,3-b][1,5]benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-; CHEMBL715; N7U69T4SZR; 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno(2,3-b)(1,5)benzodiazepine; CHEBI:7735; MFCD00866702; 5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3(7),5,8,11,13-hexaene; olanzapina; NCGC00096077-03; DSSTox_CID_3388; 2-Methyl-4-(4-methyl-1-piperazinyl)- 10H-thieno[2,3-b][1,5]benzodiazepine; DSSTox_RID_77010; DSSTox_GSID_23388; olanzapinum; Olanzapin; Midax; Olazax; Olanzapine Teva; Olazax Disperzi; 2-methyl-4-(4-methyl-1-piperazinyl)-5H-thieno[3,2-c][1,5]benzodiazepine; Olanzapine Teva; 10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-; Olanzapine Glenmark; SMR000466345; Olanzapine Neopharma; CAS-132539-06-1; SR-01000759343; Olanzapine cipla; Olanzapine apotex; ALKS-7921; HSDB 8155; Olanzapine [USAN:USP:INN:BAN]; Olanzapine solution; Olanzapine- Bio-X; Olanzapine (Zyprexa); KS-1090; GTPL47; BIDD:PXR0138; SCHEMBL28763; Olanzapine (JAN/USP/INN); US8802672, Olanzapine; MLS000759457; MLS001165781; MLS001195646; MLS001424057; BIDD:GT0332; SCHEMBL117695; SPECTRUM1505024; Olanzapine (LY-170053); DTXSID9023388; Olanzapine, >=98% (HPLC); BDBM35254; BDBM82479; CHEBI:94534; AMY7709; HMS2051H05; HMS2089M04; HMS2093I04; HMS2233F24; HMS3374L02; HMS3393H05; HMS3657I15; HMS3714J03; HMS3743A09; HMS3884J21; ACT03231; ALBB-027265; BCP04917; NSC_4585; ZINC3873830; Tox21_111556; AC-665; NSC754829; NSC801187; s2493; STK634338; STL388024; ZINC52957434; 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[2,3-b][1,5]benzodiazepine; AKOS000282888; AKOS005566122; Olanzapine 1.0 mg/ml in Acetonitrile; Tox21_111556_1; BCP9001021; CCG-100922; CS-1114; DB00334; MCULE-1620364835; NC00172; NSC-754829; NSC-801187; NCGC00096077-01; NCGC00096077-04; NCGC00096077-05; NCGC00096077-06; NCGC00096077-18; NCGC00389791-02; BO164166; HY-14541; I960; SBI-0206786.P001; CAS_132539-06-1; FT-0673219; O0393; SW220248-1; C07322; D00454; J10363; AB00639907-06; AB00639907-07; AB00639907_08; AB00639907_09; 539O061; A806453; L000455; L005958; Q201872; J-006186; SR-01000759343-4; SR-01000759343-6; Z1868057799; Olanzapine, European Pharmacopoeia (EP) Reference Standard; Olanzapine, United States Pharmacopeia (USP) Reference Standard; Olanzapine, Pharmaceutical Secondary Standard; Certified Reference Material; (E)-2-methyl-4-(4-methylpiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine; 2-Methyl-10-(4-methyl-piperazin-1-yl)-4H-3-thia-4,9-diaza-benzo[f]azulene; 2-methyl-4-(4-methyl-1-piperazinyl) -10h-thieno[2,3-b][1,5]benzodiazepine; 2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno-[2,3-b][1,5]benzodiazepine; 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine #; 2-Methyl-4-(4-methylpiperazin-1-yl)-10H- thieno[2,3-b][1,5]benzodiazepin; Olanzapine for system suitability, European Pharmacopoeia (EP) Reference Standard; Olanzapine-d8, 100 mug/mL in acetonitrile, ampule of 1 mL, certified reference material; Olanzapine solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7735	DB00334	DR00462	DR1186	312.4	C17H20N4S	59.1	432	2.9	22	1	4	1	"1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3"	CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C	KVWDHTXUZHCGIO-UHFFFAOYSA-N
DG01312	Allopurinol	135401907	"Allopurinol; 315-30-0; 1H-Pyrazolo[3,4-d]pyrimidin-4-ol; Zyloprim; Zyloric; Lopurin; Atisuril; Bleminol; Caplenal; Suspendol; Uripurinol; Embarin; Foligan; Milurit; Progout; Urosin; Anoprolin; Cellidrin; Epidropal; Takanarumin; Ailural; Allopur; Allural; Alositol; Bloxanth; Cosuric; Hamarin; Ledopur; Lysuron; Uricemil; Uriprim; Xanturat; Aloral; Anzief; Apurin; Apurol; Geapur; Gotax; Remid; Urbol; Urolit; Urtias; Ketobun-A; Apulonga; Dabrosin; Dabroson; Ketanrift; Miniplanor; Nektrohan; Urobenyl; Adenock; Allozym; Aluline; Gichtex; Monarch; Riball; 4-Hydroxypyrazolo[3,4-d]pyrimidine; Hexanuret; Epuric; 1H-Pyrazolo[3,4-d]pyrimidin-4(5H)-one; Allo-Puren; 4-HPP; Allopurinol(I); Dura Al; Allopurinolum; Aloprim; Urtias 100; 4-Hydroxypyrazolopyrimidine; 1H-Pyrazolo(3,4-d)pyrimidin-4-ol; 4-Hydroxy-1H-pyrazolo(3,4-d)pyrimidine; Alopurinol; 4-Hydroxy-3,4-pyrazolopyrimidine; 4-Hydroxypyrazolo(3,4-d)pyrimidine; Alopurinol [INN-Spanish]; Allopurinolum [INN-Latin]; 180749-08-0; NSC-1390; 180749-06-8; 1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one; 4-Hydroxypyrazolyl(3,4-d)pyrimidine; 4H-Pyrazolo(3,4-d)pyrimidin-4-one; 4'-Hydroxypyrazolol(3,4-d)pyrimidine; AL-100; BW 56-158; Zyloprim (TN); 73334-58-4; 1,5-Dihydro-4H-pyrazolo(3,4-d)pyrimidin-4-one; 2H-Pyrazolo[3,4-d]pyrimidin-4-ol; 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-; B. W. 56-158; 1,5-Dihydro-4H-pyrazolo(3,4-d)pyrimidine-4-one; BW-56-158; UNII-63CZ7GJN5I; 180749-09-1; 1,5-Dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one; MLS000069453; 4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-; CHEBI:40279; 1H-pyrazolo[3,4-d]pyrimidin-4(2H)-one; MFCD00599413; 180749-07-9; 184789-03-5; 63CZ7GJN5I; SMR000059083; 4-Hydroxy-1H-pyrazolo[3,4-d]pyrimidine; 1H-Pyrazolo[3,4-d]pyrimidin-4-ol (9CI); 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,7-dihydro- (9CI); 1,5-Dihydropyrazolo[3,4-d]pyrimidin-4-one; 1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one; NSC1390; 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,2-dihydro-; NSC101655; NSC-101655; NCGC00015094-02; NCGC00094580-04; 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 2,5-dihydro- (9CI); 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 2,7-dihydro- (9CI); BW 56158; BW-56158; Sigapurol; Uritas; 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one; DSSTox_CID_2573; 1,5-Dihydro-pyrazolo[3,4-d]pyrimidin-4-one; DSSTox_RID_76636; DSSTox_GSID_22573; 4H-Pyrazolo[3, 1,5-dihydro-; Ailurial; WLN: T56 BMN GN INJ FQ; 4-Hydroxypyrazolyl[3,4-d]pyrimidine; 4'-Hydroxypyrazolol[3,4-d]pyrimidine; NSC 1390; CAS-315-30-0; CCRIS 626; NSC 101655; HSDB 3004; SR-05000001983; EINECS 206-250-9; Hexanurat; Uricto; ATH008; Xanthine oxidase; Prestwick_511; Xanthomax-100; Xanthomax-300; 4H-Pyrazolo[3,4-d]pyrimidin-4-one,1,2-dihydro-; Aluline 100; Aluline 300; Hamarin 100; Hamarin 300; Zyloric-300; Allopurinol [USAN:USP:INN:BAN:JAN]; Allopurinol (Zyloprim); Spectrum_000026; Opera_ID_1680; Spectrum2_000098; Spectrum3_000289; Spectrum4_000135; Spectrum5_000768; Lopac-A-8003; 1,4-d]pyrimidin-4-one; A 8003; cid_2094; SCHEMBL4627; CHEMBL1467; NCIOpen2_001825; Lopac0_000102; BSPBio_001798; KBioGR_000550; KBioSS_000386; MLS001148183; US9138393, Allopurinol; US9144538, Allopurinol; DivK1c_000685; SPECTRUM1500108; SPBio_000056; GTPL6795; SCHEMBL1128219; Allopurinol (JP17/USP/INN); DTXSID4022573; BDBM35440; HMS502C07; KBio1_000685; KBio2_000386; KBio2_002954; KBio2_005522; KBio3_001298; NINDS_000685; BDBM181133; HMS1920A15; HMS2091G15; HMS2234M09; HMS3259K13; HMS3260E06; HMS3371I11; HMS3651O13; HMS3714L22; Pharmakon1600-01500108; 4-Hydroxypyrazol[3,4-D]pyrimidine; ACT02732; AMY18272; BCP26973; HY-B0219; STR05189; Tox21_110082; Tox21_200922; Tox21_500102; 2204AH; 4-Hydroxy-pyrazolo[3,4-d]pyrimidin; AC-019; BBL009959; BDBM50016784; BDBM50140241; CCG-38916; NSC755858; s1630; SC1118; SC2251; STK378584; STK711106; ZINC13298313; AKOS000267490; AKOS000269759; AKOS024255717; Tox21_110082_1; Allopurinol, xanthine oxidase inhibitor; CCG-204197; CCG-221406; CCG-266128; DB00437; LP00102; MCULE-5186178136; NC00492; NSC-755858; SB10164; SDCCGSBI-0050090.P005; IDI1_000685; NCGC00015094-01; NCGC00015094-03; NCGC00015094-04; NCGC00015094-05; NCGC00015094-06; NCGC00015094-07; NCGC00015094-08; NCGC00015094-22; NCGC00091134-01; NCGC00091134-02; NCGC00091134-03; NCGC00094580-01; NCGC00094580-02; NCGC00094580-05; NCGC00188948-01; NCGC00258476-01; NCGC00260787-01; 291279-53-3; TS-00028; 2h-pyrazolo[3,4-d]pyrimidin-4(5h)-one; 2H-pyrazolo[3,4-d]pyrimidin-4(7H)-one; SBI-0050090.P004; DB-065332; 2H-Pyrazolo[3,4-d]pyrimidin-4-ol (9CI); A0907; EU-0100102; FT-0602537; FT-0661492; FT-0685730; FT-0764079; SW199406-4; 1,5-dihydropyrazolo[3,4-d]-pyrimidin-4-one; VU0611037-1; BIM-0061756.0001; D00224; F18007; AB00173448-03; AB00173448-04; AB00173448_05; AB01274719-01; AB01274719_02; 4h-pyrazolo[3,4-d]pyrimidin-4-one,1,7-dihydro-; 4h-pyrazolo[3,4-d]pyrimidin-4-one,2,5-dihydro-; 4h-pyrazolo[3,4-d]pyrimidin-4-one,2,7-dihydro-; AB-323/25048497; Allopurinol (4-Hydroxypyrazolo[3,4-d]pyrimidine); Q412486; SR-01000075595; 4H-pyrazolo[3,4-d]pyrimidin-4-one, 1,7-dihydro-; J-504736; SR-01000075595-1; SR-05000001983-1; SR-05000001983-2; W-106892; 1,2-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE; 1,5-Dihydro-4H-pyrazolo(3,4-d)pyrimidin-4-one (9CI); F2173-0394; F3329-0375; Z228474686; Allopurinol, British Pharmacopoeia (BP) Reference Standard; Allopurinol, European Pharmacopoeia (EP) Reference Standard; Allopurinol, United States Pharmacopeia (USP) Reference Standard; 1,5-Dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one Synonym: Allopurinol; Allopurinol, Pharmaceutical Secondary Standard; Certified Reference Material; 1H-Pyrazolo[3,4-d]pyrimidin-4-ol;1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE; 9002-17-9"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:40279	DB00437	DR00074	DR0066	136.11	C5H4N4O	70.1	190	-0.7	10	2	3	0	"1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)"	C1=NNC2=C1C(=O)NC=N2	OFCNXPDARWKPPY-UHFFFAOYSA-N
DG01314	Anagrelide	135409400	"Anagrelide; 68475-42-3; Anagrelida; Xagrid; Anagrelidum; 6,7-Dichloro-5,10-dihydroimidazo[2,1-b]quinazolin-2(3H)-one; UNII-K9X45X0051; CHEMBL760; 6,7-Dichloro-1,5-dihydroimidazo(2,1-b)quinazolin-2(3H)-one; CHEBI:142290; Imidazo[2,1-b]quinazolin-2(3H)-one, 6,7-dichloro-1,5-dihydro-; K9X45X0051; Anagrelide [INN:BAN]; Anagrelidum [INN-Latin]; Anagrelida [INN-Spanish]; 6,7-Dichloro-1,5-dihydroimidazo[2,1-b]quinazolin-2(3H)-one; 6,7-bis(chloranyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one; Imidazo(2,1-b)quinazolin-2(3H)-one, 6,7-dichloro-1,5-dihydro-; C10H7Cl2N3O; HSDB 7325; BL 416201; Anagrelide (INN/BAN); BRN 0619582; 6,7-dichloro-1,5-dihydroimidazo[2,1-b]quinazolin-2[3H]-one; 6,7-Dichlor-1,5-dihydroimidazo(2,1-b)chinazolin-2(3H)-on; 6,7-dichloro-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one; SCHEMBL9411; BIDD:GT0711; GTPL7114; 6,7-dichloro-1,5-dihydroimidazo[2,1-]quinazolin-2(3H)-one; 6,7-dichloro-3,5-dihydroimidazo[2,1-b]quinazolin-2(1H)-one; HMS2089D21; HMS3715J06; HMS3742K13; BCP21314; HY-B0523; ZINC3871541; BDBM50000334; MFCD00866794; AKOS015899342; AKOS016340524; AC-3401; CCG-221242; DB00261; KS-5176; NCGC00161408-02; NCGC00161408-08; NCGC00247665-01; AS-14157; K139; SBI-0206823.P001; DB-055153; CS-0009495; FT-0602855; FT-0630776; D07455; AB00698496-05; AB00698496-07; AB00698496_08; AB01566808_01; 475A423; A915719; Q408163; 6,7-dichloro-3H,5H-imidazo[2,1-b]quinazolin-2-ol; BRD-K62200014-003-05-5; BRD-K62200014-003-08-9; 6,7-Dichloro-1,5-dihydro-imidazo[2,1-b]quinazolin-2-one; 6,7-dichloro-1h,5h-imidazo[2,1-b]quinazoline-2(3h)-one; 6,7-dichloro-1, 5-dihydroimidazo[2,1-b]quinazolin-2[3H]-one; 6,7-Dichloro-1,5-dihydroimidazo[2,1-b]-quinazolin-2(3H)-one; 6,7-dichloro-1,5dihydroimidazo[2,1-b]quinazolin-2[3H]-one; 6,7-dichloro-1H,2H,3H,5H-imidazolidino[2,1-b]quinazolin-2-one; Imidazo[2,1-b]quinazolin-2(3H)-one,6,7-dichloro-1,5-dihydro-; 6,7-di-chloro-1,5-dihydroimidazo[2,1-b]quinazolin-2[3 H ]-one base; 6,7-Dichloro-1,5-dihydro-imidazo[2,1-b]quinazolin-2-one(anagrelide); 6,7-Dichloro-1,5-dihydro-imidazo[2,1-b]quinazolin-2-one(BL-4162A); J33"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:142290	DB00261	.	.	256.079	C10H7Cl2N3O	44.7	360	1.6	16	1	2	0	"1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)"	C1C2=C(C=CC(=C2Cl)Cl)N=C3N1CC(=O)N3	OTBXOEAOVRKTNQ-UHFFFAOYSA-N
DG01315	Tegaserod	135409453	"Tegaserod; 145158-71-0; Tegaserod maleate; 2-((5-Methoxy-1H-indol-3-yl)methylene)-N-pentylhydrazinecarboximidamide; CHEMBL76370; CHEBI:51043; NCGC00095192-01; 1-(((5-Methoxyindol-3-yl)methylene)amino)-3-pentylguanidine; DSSTox_CID_25955; DSSTox_RID_81251; DSSTox_GSID_45955; UNII-458VC51857; 189188-57-6; MLS001401406; 2-[(5-methoxy-2,3-dihydro-1H-indol-3-yl)methylene]-N-pentylhydrazinecarboximidamide; CAS-145158-71-0; Tegaserod (USAN/INN); SMR000471618; tegaserodum; SDZ-HTF-919; 458VC51857; Spectrum5_001691; SCHEMBL16464; BSPBio_002344; BSPBio_003270; SPECTRUM1505823; SCHEMBL8194377; SCHEMBL8229619; DTXSID6045955; SCHEMBL15654154; BDBM79022; CHEBI:94540; cid_6918369; HMS1922J08; Tox21_111481; BDBM50240618; ZINC11676968; AKOS015913793; Tox21_111481_1; AC-4564; AM84414; DB01079; NCGC00095192-02; NCGC00095192-03; NCGC00095192-04; NCGC00095192-05; NCGC00095192-08; NCGC00095192-11; HY-14153; LS-14526; CS-0003233; 58T710; D06056; AB01209613-01; AB01209613-03; AB01563050_01; A909403; J-008063; BRD-K88743730-001-01-0; (2E)-2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pentylhydrazinecarboximidamide; (Z)-2-butenedioic acid;1-[[(Z)-(5-methoxy-3-indolylidene)methyl]amino]-2-pentylguanidine; (Z)-but-2-enedioic acid;1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentylguanidine; 2-amyl-1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]guanidine;maleic acid; (Z)-but-2-enedioic acid;1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentyl-guanidine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:51043	DB01079	.	DR1541	301.39	C16H23N5O	87.8	385	2.6	22	3	3	8	"1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)/b20-11+"	CCCCCN=C(N)N/N=C/C1=CNC2=C1C=C(C=C2)OC	IKBKZGMPCYNSLU-RGVLZGJSSA-N
DG01363	Durvalumab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB11714	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01366	Enfortumab	.	.	Approved	1	Approved Drug(s)	Approved	Antibody drug conjugate	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01369	Erenumab	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01370	Estrogen	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01375	Fibrinogen	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01376	Fremanezumab	.	.	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01377	Furazolidinone	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01378	Galcanezumab	.	.	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01388	Ipilimumab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01401	Mogamulizumab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01405	Nimotuzumab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01406	Nivolumab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB09035	.	DR2826	.	.	.	.	.	.	.	.	.	.	.	.
DG01412	Palivizumab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01436	Tagraxofusp	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01442	Thyrotropin	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01443	Tildrakizumab	.	.	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01461	Ampicillin-sulbactam	119561	"Ampicillin sodium and sulbactam sodium; 94935-63-4; Ampicillin mixture with Sulbactam; Sulacillin; Ampicillin-sulbactam; (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(1R,4S)-3,3-dimethyl-2,2,6-trioxo-2lambda6-thiabicyclo[3.2.0]heptane-4-carboxylic acid; Sulbactam-Ampicillin mixt. (1:2); Ampicillin-sulbactam mixt.; AMPICILLIN AND SULBACTAM; DTXSID60241694; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((2R)-aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S,5R,6R)-, mixt. with (2S,5R)-3,3-dimethyl-7-oxo-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 4,4-dioxide; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-, mixt. with (2S-cis)-3,3-dimethyl-7-oxo-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 4,4-dioxide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	581.7	5	C25H31N3O9S2	235	1000	.	39	4	11	CC1([C@@H](C2[C@H](S1(=O)=O)CC2=O)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C	"InChI=1S/C16H19N3O4S.C9H12O5S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;1-9(2)7(8(11)12)6-4(10)3-5(6)15(9,13)14/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);5-7H,3H2,1-2H3,(H,11,12)/t9-,10-,11+,14-;5-,6 ,7+/m11/s1"	KMEGBUCIGMEPME-LQYKFRDPSA-N
DG01462	PD173074	1401	"219580-11-7; PD173074; PD 173074; PD-173074; 1-(tert-Butyl)-3-(2-((4-(diethylamino)butyl)amino)-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea; 1-tert-butyl-3-[2-{[4-(diethylamino)butyl]amino}-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea; UNII-A4TLL8634Y; A4TLL8634Y; CHEMBL189584; PD-0173074; CHEBI:63448; C28H41N7O3; MFCD08705327; 1-tert-butyl-3-(2-(4-(diethylamino)butylamino)-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea; 1-tert-butyl-3-[2-[4-(diethylamino)butylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea; 1-tert-butyl-3-[6-(3,5-dimethoxy-phenyl)-2-(4-diethylamino-butylamino)-pyrido[2,3-d]pyrimidin-7-yl]-urea; 3-tert-butyl-1-(2-{[4-(diethylamino)butyl]amino}-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea; 2fgi; SMR000568412; MLS001074892; MLS006011101; SCHEMBL177946; Pyrido[2,3-d]pyrimidine 12; BDBM6190; GTPL5037; AOB2517; DTXSID30176363; EX-A197; SYN1176; BCPP000121; HMS2233G17; HMS3265E09; HMS3265E10; HMS3265F09; HMS3265F10; HMS3371E08; HMS3648A10; HMS3654L09; BCP02368; ZINC3870533; NSC766908; s1264; AKOS016008595; BCP9001065; CCG-264881; CS-0182; NSC-766908; QC-7737; SB19382; NCGC00165863-01; NCGC00165863-02; NCGC00165863-17; AC-24850; AS-16310; BP162784; HY-10321; N-[2-[[4-(Diethylamino)butyl]amino] -6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-y l]-N'-(1,1-dimethylethyl)urea; FT-0673540; P2474; SW218104-2; X7486; PD 173074, >=96% (HPLC), powder; A25450; SR-01000837541; J-014372; J-523314; SR-01000837541-2; Q27088276; FGF/VEGF Receptor Tyrosine Kinase Inhibitor, PD173074 - CAS 219580-11-7; 1-(tert-Butyl)-3-[7-[[4-(diethylamino)butyl]amino]-3-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]urea; 1-tert-Butyl-3-(6-(3,5-dimethoxyphenyl)-2-(4-diethylaminobutylamino)pyrido(2,3-d)pyrimidin-7-yl)urea; N-(tert-Butyl)-N -[2-[[4-(diethylamino)butyl]amino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea; N-[2-[[4-(Dethylamno)butyl]amno]-6-(3,5-dmethoxyphenyl)pyrdo[2,3-d ]pyrmdn-7-yl]-n'-(1,1-dmethylethyl)urea; N-[2-[[4-(Diethylamino)butyl]amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1-dimethylethyl)urea; N-[2-[[4-(Diethylamino)butyl]amino]-6-(3,5- dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1- dimethylethyl)urea; N-[2-[[4-(diethylamino)butyl]amino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1-dimethylethyl)-urea; N-[2-[[4-(Diethylamino)butyl]amino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1-dimethylethyl)urea; PD 173074;n-[2-[[4-(diethylamino)butyl]amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-n'-(1,1-dimethylethyl)urea"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:63448	.	.	.	523.7	13	C28H41N7O3	114	690	4.5	38	3	8	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	"InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)"	DXCUKNQANPLTEJ-UHFFFAOYSA-N
DG01463	AG1296	2049	"146535-11-7; Tyrphostin AG 1296; 6,7-dimethoxy-2-phenylquinoxaline; AG-1296; AG 1296; 6,7-Dimethoxy-3-phenylquinoxaline; ag1296; Tyrphostin AG-1296; Quinoxaline, 6,7-dimethoxy-2-phenyl-; Tyrphostin AG1296; CHEMBL71191; MFCD00270913; tyrphostin-AG1296; 6,7-Dimethoxy-2-phenylquinozaline; tyrphostin-AG-1296; BiomolKI_000055; BiomolKI2_000061; BMK1-F7; BSPBio_001422; KBioGR_000142; KBioSS_000142; SCHEMBL595944; GTPL5915; QCR-71; ZINC8082; CHEBI:93335; KBio2_000142; KBio2_002710; KBio2_005278; KBio3_000283; KBio3_000284; DTXSID70163393; Bio2_000142; Bio2_000622; HMS1361H04; HMS1791H04; HMS1989H04; HMS3229M21; HMS3402H04; HMS3653H21; BCP06928; EX-A4245; Tyrphostin AG 1296, >=98%; 6,7-Dimethoxy-2-phenyl-quinoxaline; 2090AH; 2774AH; BDBM50154227; s8024; AKOS025287463; CCG-100659; Quinozaline, 6,7-dimethoxy-2-phenyl-; Tyrphostin AG 1296 (AG 1296); IDI1_033892; NCGC00163386-01; NCGC00163386-02; NCGC00163386-03; NCGC00163386-04; AS-62520; HY-13894; CS-0008498; SW220231-1; AG-1296; ; ; 6,7-Dimethoxy-2-phenylquinoxaline; SR-03000001061; J-008233; SR-03000001061-1; AG 1296 - CAS 146535-11-7; BRD-K76064317-001-03-2; BRD-K76064317-001-04-0; Q27074335"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:93335	.	.	.	266.29	3	C16H14N2O2	44.2	307	2.8	20	0	4	COC1=C(C=C2C(=C1)N=CC(=N2)C3=CC=CC=C3)OC	"InChI=1S/C16H14N2O2/c1-19-15-8-12-13(9-16(15)20-2)18-14(10-17-12)11-6-4-3-5-7-11/h3-10H,1-2H3"	QNOXYUNHIGOWNY-UHFFFAOYSA-N
DG01464	Flutamide	3397	"Flutamide; 13311-84-7; Eulexin; Niftolide; Niftholide; 2-Methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide; Sch 13521; NFBA; niftolid; Drogenil; Flutamin; Cebatrol, veterinary; Flutamida; Flutamidum; 4'-Nitro-3'-trifluoromethylisobutyranilide; Sch-13521; 2-Methyl-N-(4-nitro-3-[trifluoromethyl]phenyl)propanamide; N-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)ISOBUTYRAMIDE; SCH13521; MFCD00072009; NSC 215876; Flutamide (Eulexin); alpha,alpha,alpha-Trifluoro-2-methyl-4'-nitro-m-propionotoluidide; UNII-76W6J0943E; CHEMBL806; Propanamide, 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-; 4-Nitro-3-(trifluoromethyl)isobutyranilide; CHEBI:5132; Propanamide, 2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-; 76W6J0943E; NSC-215876; NCGC00015452-09; Eulexine; Chimax; 4'-Nitro-3'-trifluoromethylisobutyramilide; CAS-13311-84-7; Ham's F-12 medium; Flutamidum [INN-Latin]; DSSTox_CID_11121; DSSTox_RID_78899; DSSTox_GSID_32004; Flutamida [INN-Spanish]; Flutamide USP25; N-[4-Nitro-3-(trifluoromethyl)phenyl]isobutyramide; Prostandril; Odyne; SMR000058187; Eulexin (TN); CCRIS 7246; m-Propionotoluidide,.alpha.,.alpha.-trifluoro-; SR-01000075888; EINECS 236-341-9; BRN 2157663; .alpha.,.alpha.-Trifluoro-2-methyl-4'-nitro-m-propionotoluidide; m-Propionotoluidide,.alpha.,.alpha.-trifluoro-2-methyl-4'-nitro-; 4'-Nitro-3'-(trifluoromethyl)isobutyranilide; Flutamide [USAN:USP:INN:BAN]; Flutamide,(S); Prestwick_228; NK-601; Spectrum_001210; 2-Methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide; CPD000058187; Prestwick0_000180; Prestwick1_000180; Prestwick2_000180; Prestwick3_000180; Spectrum2_001201; Spectrum3_001421; Spectrum4_000829; Spectrum5_001450; Lopac-F-9397; F0663; Flutamide (pubertal study); F 9397; SCHEMBL3934; Lopac0_000557; BSPBio_000079; BSPBio_003122; KBioGR_001377; KBioSS_001690; MLS000069634; MLS001065596; MLS002548892; DivK1c_000459; SPECTRUM1500995; SPBio_000982; SPBio_002000; Flutamide (JP17/USP/INN); BPBio1_000087; GTPL6943; CHEMBL4759307; DTXSID7032004; SCHEMBL12932289; HMS501G21; KBio1_000459; KBio2_001690; KBio2_004258; KBio2_006826; KBio3_002342; NINDS_000459; HMS1568D21; HMS1921O16; HMS2090I18; HMS2092O14; HMS2095D21; HMS2230P19; HMS3259I03; HMS3261P15; HMS3373C12; HMS3655G22; HMS3712D21; Pharmakon1600-01500995; AMY32524; BCP23006; HY-B0022; ZINC3812944; Tox21_110154; Tox21_202169; Tox21_300536; Tox21_500557; BDBM50131270; CCG-39105; m-Propionotoluidide, 2-methyl-4'-nitro-alpha,alpha,alpha-triflouro-; NSC147834; NSC215876; NSC757817; s1908; AKOS001025465; AKOS025243203; m-Propionotoluidide, .alpha.,.alpha.,.alpha.-trifluoro-2-methyl-4'-nitro-; Tox21_110154_1; AB02835; DB00499; KS-5091; LP00557; MCULE-7498839065; NC00451; NSC-147834; NSC-757817; SDCCGSBI-0050540.P004; IDI1_000459; NCGC00015452-01; NCGC00015452-02; NCGC00015452-03; NCGC00015452-04; NCGC00015452-05; NCGC00015452-06; NCGC00015452-07; NCGC00015452-08; NCGC00015452-10; NCGC00015452-11; NCGC00015452-12; NCGC00015452-13; NCGC00015452-14; NCGC00015452-15; NCGC00015452-16; NCGC00015452-19; NCGC00015452-20; NCGC00015452-32; NCGC00091460-01; NCGC00091460-02; NCGC00091460-03; NCGC00091460-04; NCGC00091460-05; NCGC00091460-06; NCGC00091460-07; NCGC00091460-08; NCGC00091460-09; NCGC00254495-01; NCGC00259718-01; NCGC00261242-01; AC-24192; BF166239; SY036411; SBI-0050540.P003; DB-042163; 3'-Trifluoromethyl-4'-Nitro-Isobutyranilide; AB00052188; EU-0100557; FT-0626493; FT-0668764; SW196536-4; 4''-nitro-3''-trifluoromethylisobutyranilide; C07653; D00586; J10037; AB00052188-09; AB00052188_10; AB00052188_11; 311F847; A806562; Q418669; Q-201131; SR-01000075888-1; SR-01000075888-6; SR-01000075888-7; SR-01000075888-9; BRD-K28307902-001-05-0; Flutamide, certified reference material, TraceCERT(R); Z56755651; a,a,a-Trifluoro-2-methyl-4'-nitro- m-propionotoluidide; Flutamide, European Pharmacopoeia (EP) Reference Standard; 2-Methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide #; Flutamide, United States Pharmacopeia (USP) Reference Standard; 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide;Flutamide; alpha,alpha,alpha-trifluoro-2-methyl-4''-nitro-m-propionotoluidide; .alpha.,.alpha.,.alpha.-Trifluoro-2-methyl-4'-nitro-m-propionotoluidide; m-Propionotoluidide, 2-methyl-4'-nitro-.alpha.,.alpha.,.alpha.-trifluoro-; m-Propionotoluidide, alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro- (8CI); Flutamide for system suitability, European Pharmacopoeia (EP) Reference Standard; 37209-54-4"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5132	DB00499	DR0733	DR00846	276.21	2	C11H11F3N2O3	74.9	352	3.3	19	1	6	CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F	"InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)"	MKXKFYHWDHIYRV-UHFFFAOYSA-N
DG01465	GO6976	3501	"Go 6976; 136194-77-9; GO6976; Go-6976; Goe 6976; UNII-B9IQO7JZ16; 5,6,7,13-Tetrahydro-13-Methyl-5-oxo-12H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-12-propanenitrile; 3-(13-Methyl-5-oxo-6,7-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-12(13H)-yl)propanenitrile; B9IQO7JZ16; CHEMBL302449; C24H18N4O; CHEBI:51913; 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole; 12H-Indolo(2,3-a)pyrrolo(3,4-c)carbazole-12-propanenitrile, 5,6,7,13-tetrahydro-13-methyl-5-oxo-; 12H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-12-propanenitrile, 5,6,7,13-tetrahydro-13-methyl-5-oxo-; 12-(2-cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrolo[3,4-c]carbazole; 3-(13-methyl-5-oxo-5,6,7,13-tetrahydro-12H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-12-yl)propanenitrile; Kinome_3630; Gouml 6976; CBiol_001871; BSPBio_001101; KBioGR_000441; KBioSS_000441; 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo(2,3-a)pyrrolo(3,4-c)-carbazole; 13-Methyl-5-oxo-5,6,7,13-tetrahydro-12H-indolo(2,3-a)pyrrolo(3,4-c)carbazole-12-propanenitrile; Goe-6976; BDBM3033; GTPL5973; QCR-45; SCHEMBL2175239; BCBcMAP01_000156; KBio2_000441; KBio2_003009; KBio2_005577; KBio3_000821; KBio3_000822; AOB4516; DTXSID70159731; Bio1_000157; Bio1_000646; Bio1_001135; Bio2_000381; Bio2_000861; HMS1362G03; HMS1792G03; HMS1990G03; HMS3229E13; HMS3403G03; BCP06797; ZINC1554668; 2437AH; 3-[methyl(oxo)[ ]yl]propanenitrile; EI-269; MFCD00236434; s7119; AKOS024457007; AT23580; CCG-206755; IDI1_002136; NCGC00163451-01; NCGC00163451-02; NCGC00163451-03; NCGC00163451-04; AS-16804; BG168444; HY-10183; CS-0002498; FT-0697606; EC-000.2399; G   6976, >=98% (HPLC), powder; A924795; G  6976; InSolution Go 6976 - CAS 136194-77-9; Go 6976 - CAS 136194-77-9; J-006821; BRD-K59304176-001-02-5; BRD-K59304176-001-03-3; Q27077832; 3-(13-methyl-5-oxo-5,6,7,13-tetrahydro-12H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-12-yl)propionitrile; 3-(23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.0^{2,10.0^{4,9.0^{11,15.0^{17,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)propanenitrile; 3-(23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)propanenitrile; 3-(9-methyl-1-oxo-2,3-dihydro-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-8(9H)-yl)propanenitrile; 3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17,19,21-nonaen-3-yl}propanenitrile; 3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl}propanenitrile"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:51913	.	.	.	378.4	2	C24H18N4O	62.8	730	3.2	29	1	2	CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)CCC#N)CNC4=O	"InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)"	VWVYILCFSYNJHF-UHFFFAOYSA-N
DG01466	JANEX-1	3794	"JANEX-1; 202475-60-3; WHI-P131; jak3 inhibitor i; Janex 1; 4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol; 4-(6,7-dimethoxyquinazolin-4-ylamino)phenol; 4-((6,7-dimethoxyquinazolin-4-yl)amino)phenol; UNII-1J8Q49TR3I; 1J8Q49TR3I; CHEMBL405130; 4-[(6,7-Dimethoxy-4-quinazolinyl)amino]phenol; 4-[(6,7-dimethoxy-4-quinazolinyl)amino]-phenol; 4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline; 4-((6,7-dimethoxy-4-quinazolinyl)amino)phenol; WHI P131; WHI-P131(Janex 1); Lopac0_001238; SCHEMBL29295; ZINC9851; WHI-P131; JANEX-1; WHI-P 131; WHI-P-131; AOB1974; BCP14722; EX-A2590; 1808AH; BDBM50227519; MFCD01862614; NSC800774; s5903; AKOS002350929; CS-1604; NSC-800774; NCGC00379000-03; AS-35320; HY-15508; QC-11660; 4-(4-hydroxyanilino)-6,7-dimethoxyquinazoline; A925799; J-013147; Phenol, 4-[(6,7-dimethoxy-4-quinazolinyl)amino]-; 4-(4'-Hydroxylphenyl)-amino-6,7-dimethoxyquinazoline hydrochloride dihydrate"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	297.31	4	C16H15N3O3	76.5	350	3	22	2	6	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)O)OC	"InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-3-5-11(20)6-4-10/h3-9,20H,1-2H3,(H,17,18,19)"	HOZUXBLMYUPGPZ-UHFFFAOYSA-N
DG01467	LY-294002	3973	"154447-36-6; LY294002; LY 294002; 2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one; LY-294002; 2-morpholino-8-phenyl-4H-chromen-4-one; 2-morpholin-4-yl-8-phenyl-4H-chromen-4-one; UNII-31M2U1DVID; 2-morpholin-4-yl-8-phenylchromen-4-one; 2-(morpholin-4-yl)-8-phenylchromen-4-one; 15447-36-6; 2-(morpholin-4-yl)-8-phenyl-4H-chromen-4-one; NSC 697286; 31M2U1DVID; 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE; CHEMBL98350; 4H-1-Benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl-; CHEBI:65329; SF 1101; LY2; Ly 294002 HCl; LY-294,002; 2-Morpholin-4-yl-8-phenyl-chromen-4-one; BMK1-D5; Lys 294002; 4azt; 2-morpholino-8-phenyl-chromen-4-one; Kinome_3543; Tocris-1130; 1yi3; BiomolKI_000029; Lopac-L-9908; 8-Phenyl-2-(morpholin-4-yl)-chromen-4-one; BiomolKI2_000037; CBiol_002046; Lopac0_000710; SCHEMBL94377; BSPBio_001223; KBioGR_000563; KBioSS_000563; MLS006010131; 2-Morpholino-8-phenylchromone; 2-(4-morpholino)-8-phenyl-4H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl; GTPL6004; ZINC6014; DTXSID6042650; BCBcMAP01_000117; BDBM12915; KBio2_000563; KBio2_003131; KBio2_005699; KBio3_001005; KBio3_001006; EX-A073; SYN1108; BCPP000177; Bio1_000332; Bio1_000821; Bio1_001310; Bio2_000442; Bio2_000922; HMS1362M05; HMS1792M05; HMS1990M05; HMS3229G17; HMS3403M05; HMS3649E04; HMS3654M21; AMY40921; BCP00195; HSCI1_000206; NSC697286; NSC755769; s1105; AKOS017344742; BCP9000880; CCG-100633; CS-0150; DB02656; NSC-697286; NSC-755769; QC-7260; SB10965; SDCCGSBI-0050688.P003; SF-1101; IDI1_002197; NCGC00015622-01; NCGC00015622-02; NCGC00015622-03; NCGC00015622-04; NCGC00015622-05; NCGC00015622-06; NCGC00015622-07; NCGC00015622-23; NCGC00015622-27; NCGC00025020-01; NCGC00025020-02; NCGC00025020-03; NCGC00025020-04; NCGC00179253-01; AC-30295; AS-16252; HY-10108; NCI60_034712; SMR002530642; LY-924002; FT-0660382; M2410; SW217688-2; X7411; EC-000.2341; 2-Morpholino-8-phenyl-4-oxo-4H-1-benzopyran; K00235; J-510126; Q4042503; SR-01000076245-7; 4H-1-Benzopyran-4-one,2-(4-morpholinyl)-8-phenyl-; BRD-K27305650-001-05-9; InSolution LY 294002 - CAS 154447-36-6; LY-294,002 hydrochloride, solid, >=98% (HPLC); LY 294002 - CAS 154447-36-6; 4H-1-Benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl- (9CI); H-1-Benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl- (9CI); LY 294002; 2-(4-Morpholino)-8-phenyl-4H-1-benzopyran-4-one"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:65329	DB02656	.	.	307.3	2	C19H17NO3	38.8	463	3.1	23	0	4	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4	"InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2"	CZQHHVNHHHRRDU-UHFFFAOYSA-N
DG01468	PD98059	4713	"167869-21-8; PD 98059; PD98059; 2-(2-amino-3-methoxyphenyl)-4H-chromen-4-one; PD 98,059; PD-98059; 2-(2-Amino-3-methoxyphenyl)-4H-1-benzopyran-4-one; 2-(2-amino-3-methoxyphenyl)chromen-4-one; 2'-AMINO-3'-METHOXYFLAVONE; PD-098059; 4H-1-Benzopyran-4-one, 2-(2-Amino-3-methoxyphenyl)-; UNII-SJE1IO5E3I; SJE1IO5E3I; CHEMBL35482; C16H13NO3; CHEBI:77954; MFCD00671789; 2-(2-Amino-3-methoxy-phenyl)-chromen-4-one; SR-01000076097; PD 098059; 2-(2-Amino-3-methoxyphenyl)-chromen-4-one; NSC 679829; Tocris-1213; PD098059; Lopac-P-215; BiomolKI_000001; 2-(2-amino-3-methoxy-phenyl)chromen-4-one; BiomolKI2_000011; PD 98,059, solid; Lopac0_001028; BMK1-B1; BSPBio_000996; KBioGR_000336; KBioSS_000336; 2-(2'-amino-3'-methoxyphenyl)oxanaphthalen-4-one; MLS006010134; SCHEMBL157826; 4H-1-Benzopyran-4-one,2-(2-amino-3-methoxyphenyl)-; GTPL5241; QCR-14; 2''-amino-3''-methoxyflavone; BCBcMAP01_000049; KBio2_000336; KBio2_002904; KBio2_005472; KBio3_000671; KBio3_000672; AOB2598; DTXSID40168416; BCPP000123; Bio1_000475; Bio1_000964; Bio1_001453; Bio2_000338; Bio2_000818; HMS1362B17; HMS1792B17; HMS1990B17; HMS3229M08; HMS3263M17; HMS3267D03; HMS3403B17; HMS3412O09; HMS3649N14; HMS3654I16; HMS3676O09; BCP02423; EX-A2127; ZINC1420826; Tox21_501028; BDBM50108771; NSC679828; s1177; AKOS015995212; BCP9001060; BP34124; CCG-100605; CS-0169; LP01028; NSC 679828; NSC-679828; SB16629; SDCCGSBI-0051000.P003; IDI1_002093; SMP2_000052; NCGC00015790-01; NCGC00015790-02; NCGC00015790-03; NCGC00015790-04; NCGC00015790-05; NCGC00015790-06; NCGC00015790-07; NCGC00015790-08; NCGC00025045-01; NCGC00025045-02; NCGC00025045-03; NCGC00025045-04; NCGC00025045-05; NCGC00179347-01; NCGC00261713-01; AC-28412; AS-19374; HY-12028; NCI60_028554; SMR001456459; EU-0101028; FT-0716482; P-215; SW218254-2; X7398; EC-000.2425; A25454; P-4313; PD 98059 & Z-100; InSolution PD 98059 - CAS 167869-21-8; J-505513; SR-01000076097-1; SR-01000076097-3; SR-01000076097-6; 2-(2-amino-3-methoxyphenyl)-4-oxo-4H-[1]benzopyran; BRD-K62810658-001-05-6; BRD-K62810658-001-06-4; Q27088281; 2-(2-Amino-3-methoxy-phenyl)-chromen-4-one(PD98059); PD 98059 - CAS 167869-21-8; 4H-1-Benzopyran-4-one, 2-(2-amino-3-methoxyphenyl)- & Z-100"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:77954	.	.	.	267.28	2	C16H13NO3	61.6	407	2.9	20	1	4	COC1=CC=CC(=C1N)C2=CC(=O)C3=CC=CC=C3O2	"InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3"	QFWCYNPOPKQOKV-UHFFFAOYSA-N
DG01469	Tegafur	5386	"Tegafur; Ftorafur; 17902-23-7; Futraful; Fluorofur; Sinoflurol; Citofur; Fental; Neberk; Furofutran; Coparogin; Florafur; Fulfeel; Furafluor; Nitobanil; Exonal; Lamar; Lifril; Tefsiel C; 5-fluoro-1-(tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione; Franroze; Furflucil; Sunfral; Riol; FT-207; Phthorafur; 1-(2-Tetrahydrofuryl)-5-fluorouracil; 5-Fluoro-1-(tetrahydro-2-furyl)uracil; 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-; MJF-12264; Fluorafur; Franrose; Sunfural; Fulaid; NSC-148958; 5-FLUORO-1-(TETRAHYDRO-2-FURFURYL)URACIL; FT 207; 5-Fluoro-1-(tetrahydro-2-furanyl)-2,4-pyrimidinedione; N1-(2-tetrahydrofuryl)-5-fluorouracil; 1-(Tetrahydrofuran-2-yl)-5-fluorouracil; 5-Fluoro-1-(tetrahydrofuran-2-yl)uracil; URACIL, 5-FLUORO-1-(TETRAHYDRO-2-FURYL)-; Uracil, 1-(tetrahydrofuran-2-yl)-5-fluoro-; MFCD00012351; 5-Fluoro-1-(tetrahydro-3-furyl)uracil; 1-(Tetrahydro-2-furanyl)-5-fluoro-2,4-pyrimidinedione; MLS000069497; CHEBI:32188; 1-(2-TETRAHYDROFORMYL)-5-FLUOROURACIL; 5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione; C8H9FN2O3; 5-fluoro-1-tetrahydrofuran-2-yl-pyrimidine-2,4-dione; NCGC00159418-02; NCGC00159418-05; SMR000059106; Racemic Ftorafur; DSSTox_CID_1305; DSSTox_RID_76070; DSSTox_GSID_21305; Phthorafur [Czech]; FT-207 (NSC 148958); Tegafurum; Tegafurum [INN-Latin]; NSC 148958; CAS-37076-68-9; CCRIS 2762; FT207; EINECS 241-846-2; BRN 0525766; Atillon; N1-(2'-Tetrahydrofuryl)-5-fluorouracil; 1-(Tetrahydro-2-furanyl)-5-fluorouracil; N(sub 1)-(2-Tetrahydrofuryl)-5-fluorouracil; Tegafur [USAN:INN:BAN:JAN]; N(sub 1)-(2'-Furanidyl)-5-fluouracil [Czech]; Atillon (TN); Tegafur ,(S); N(sub 1)-(2'-Furanidyl)-5-fluouracil; TS-1 (Salt/Mix); Opera_ID_1726; UPCMLD-DP063; SCHEMBL4552; 5-24-06-00285 (Beilstein Handbook Reference); MLS000759414; MLS001076521; MLS001424119; CHEMBL20883; Tegafur (JP17/USAN/INN); F-5-FU; UPCMLD-DP063:001; GTPL10513; DTXSID001009966; HMS1665I05; HMS2051B15; HMS2090K04; HMS2232E05; HMS3371H21; HMS3393B15; HMS3654P13; HMS3715D14; N1-(2'-Furanidyl)-5-fluouracil; 2,4(1H,3H)Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-; 5-Fluoro-1-(tetrahydro-2-furanyl)-2,4(1H,3H)-pyrimidinedione; BCP22714; 5-fluoro-1-(tetrahydrofuran-2-yl); N1-(2'-Furanidyl)-5-fluorouracil; Tox21_111649; Tox21_301812; BBL027795; CCG-50110; STK528044; Tegafur, >=98% (HPLC), powder; 5-Fluoro-1-(2-tetrahydrofuryl)uracil; AKOS000121279; Tox21_111649_1; AC-2112; CCG-100959; CS-1128; DB09256; MCULE-1366455644; NC00209; 1-(tetrahydro-2-furyl)-5-fluorouracil; 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-, didehydroderiv.; 5-fluoro-1-(2-tetrahydrofuranyl)uracil; N1 -(2-tetrahydrofuryl)-5-fluorouracil; NCGC00159418-04; NCGC00255222-01; 79107-97-4; 82294-77-7; AS-13528; HY-17400; I580; Tegafur (FT-207; NSC 148958); J356.722B; FT-0653732; FT-0654170; FT-0674829; FT-0693965; D01244; J10344; AB00572620-15; 902T237; A812417; Q413370; SR-01000639511; Q-201784; SR-01000639511-1; SR-01000639511-4; 5-fluoro-1-tetrahydro-furan-2-yl-1H-pyrimidine-2,4-dione; 5-Fluoro-1-tetrahydro-2-furanyl-2,4(1H,3H)-pyrimidinedione; 2, 4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-, (R)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32188	DB09256	DR1539	.	200.17	1	C8H9FN2O3	58.6	316	-0.3	14	1	4	C1CC(OC1)N2C=C(C(=O)NC2=O)F	"InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)"	WFWLQNSHRPWKFK-UHFFFAOYSA-N
DG01470	Amiloride	16231	"AMILORIDE; Amipramidin; 2609-46-3; Midamor; Guanamprazine; Amipramizid; Amipramizide; Guanamprazin; Amilorida; 3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide; Amiloridum; Amyloride; Amiloridum [INN-Latin]; Amilorida [INN-Spanish]; N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide; N-Amidino-3,5-diamino-6-chlorpyrazincarboxamid; UNII-7DZO8EB0Z3; 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide; 3,5-Diamino-N-(aminoiminomethyl)-6-chloropyrazinecarboxamide; MK-870; Amiloride hydrochloride hydrate; CHEMBL945; Pyrazinecarboxamide, 3,5-diamino-N-(aminoiminomethyl)-6-chloro-; 7DZO8EB0Z3; CHEBI:2639; N-amidino-3,5-diamino-6-chloro-2-pyrazinecarboxamide; 137053-86-2; NCGC00015089-08; Amiloride [INN:BAN]; AMIPRAMIDINE; DSSTox_CID_23853; DSSTox_RID_80077; DSSTox_GSID_43853; Amiclaran; C6H8ClN7O; Amiclaran (TN); Amiloride (INN); CAS-2609-46-3; CCRIS 6545; EINECS 220-024-7; AmilorideHCl; Amikal (Hydrochloride dihydrate); Midamor (Hydrochloride dihydrate); MK-870 (Hydrochloride dihydrate); Spectrum_000034; Tocris-0890; 1f5l; Prestwick0_000007; Prestwick1_000007; Prestwick2_000007; Prestwick3_000007; Spectrum2_000118; Spectrum3_000293; Spectrum4_000132; Spectrum5_000776; Lopac-A-7410; Lopac0_000111; SCHEMBL27562; BSPBio_000013; BSPBio_001572; BSPBio_001826; KBioGR_000292; KBioGR_000544; KBioSS_000292; KBioSS_000394; MLS001060798; BIDD:GT0466; DivK1c_000182; SPBio_000136; SPBio_001934; BPBio1_000015; GTPL2421; DTXSID9043853; BCBcMAP01_000101; BDBM16173; KBio1_000182; KBio2_000292; KBio2_000394; KBio2_002860; KBio2_002962; KBio2_005428; KBio2_005530; KBio3_000583; KBio3_000584; KBio3_001326; NINDS_000182; Bio1_000359; Bio1_000848; Bio1_001337; Bio2_000292; Bio2_000772; HMS1791O14; HMS1989O14; HMS2089H05; HMS2213E05; HMS3355K04; ACT05635; ACT05652; BCP16815; HY-B0285; ZINC4340269; Tox21_110080; 3,5-diamino-N-[amino(imino)methyl]-6-chloropyrazine-2-carboxamide; BBL028157; STL373007; AKOS015961348; Tox21_110080_1; CCG-204206; DB00594; MCULE-5948863568; SB74937; SDCCGSBI-0050099.P005; IDI1_000182; IDI1_034042; NCGC00015089-01; NCGC00015089-02; NCGC00015089-03; NCGC00015089-04; NCGC00015089-05; NCGC00015089-06; NCGC00015089-07; NCGC00015089-09; NCGC00015089-11; NCGC00015089-12; NCGC00015089-13; NCGC00015089-14; NCGC00015089-15; NCGC00015089-16; NCGC00015089-17; NCGC00015089-24; NCGC00024443-02; NCGC00024443-05; NCGC00024443-06; NCGC00024443-07; NCGC00024443-09; AC-13631; LS-13128; SMR000486264; U460; (3,5-Diamino-6-chloropyrazinoyl)guanidine; SBI-0050099.P004; N-amidino-3,5-diamino-6-chloropyrazinamide; AB00053415; FT-0703177; C06821; D07447; AB00053415-24; AB00053415-25; AB00053415_26; AB00053415_27; AB00053415_28; 609A463; Q419995; J-016249; BRD-K97181089-003-02-3; BRD-K97181089-310-03-0; N-amidino 3,5-diamino-6-chloro-2-pyrazinecarboxamide; F2173-0531; N-(3,5-Diamino-6-chloro-pyrazine-2-carbonyl)-guanidine; 3,5-diamino-N-carbamimidoyl-6-chloro-pyrazine-2-carboxamide; 3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinamide;hydrochloride"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2639	DB00594	.	DR00207	229.63	1	C6H8ClN7O	159	279	-0.7	15	4	5	C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N	"InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)"	XSDQTOBWRPYKKA-UHFFFAOYSA-N
DG01471	Idarubicin	42890	"IDARUBICIN; 58957-92-9; 4-Demethoxydaunorubicin; 4-Demethoxydaunomycin; Idarubicine [INN-French]; Idarubicinum [INN-Latin]; Idarubicina [INN-Spanish]; UNII-ZRP63D75JW; NSC 256439; NSC-256439; ZRP63D75JW; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione; Idarubicina; CHEBI:42068; (1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside; 5,12-Naphthacenedione, 9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-, (7S-cis)-; Idarubicine; Idarubicinum; Idarubicin [INN:BAN]; Idarubicinhydrochloride; DM5; MLS001401448; Daunomycin, 4-demethoxy-; NSC256439; (1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydronaphthacen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside; (7S,9S)-9-acetyl-7-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,9,11-trihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione; Idarubicin (INN); Zavedos (TN); CCRIS 5083; NCGC00093976-03; SMR000466355; 4-DMD; SR-01000075934; I 1656; SCHEMBL3750; CHEMBL1117; Lopac0_000600; KBioSS_002388; Idarubicin hydrochloride, solid; cid_636362; GTPL7083; 4-DEMETHOXY-DAUNORUBICIN; DTXSID7023142; IDARUBICIN(Hydrochloride form); BDBM58490; BCPP000207; HMS2089D05; HMS3261H22; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride; ZINC3920266; Tox21_500600; AKOS015895563; AC-9384; BCP9000773; CCG-204689; DB01177; LP00600; SDCCGSBI-0050582.P002; NCGC00093976-01; NCGC00093976-02; NCGC00093976-04; NCGC00093976-05; NCGC00093976-18; NCGC00261285-01; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione; 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-6,9,11-trihydroxy-, (7S-cis)-; EU-0100600; D08062; AB00698511-06; AB00698511-08; AB00698511-09; AB00698511-10; AB00698511_11; 957I929; A832088; A935911; Q1063862; SR-01000075934-1; BRD-K69650333-001-01-1; BRD-K69650333-001-02-9; BRD-K69650333-003-14-0; Idarubicin, United States Pharmacopeia (USP) Reference Standard; (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethanoyl-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione; (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethanoyl-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride; (7S,9S)-9-Acetyl-7-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,9,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione; (7S,9S)-9-acetyl-7-((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-6,9,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-quinone;hydrochloride; (7S,9S)-9-acetyl-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione; (7S,9S)-9-acetyl-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride; 4-Demethoxydaunorubicin; ; ; IMI-30; ; ; NSC-256439; ; ; (7S,9S)-9-Acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione; 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-9-acetyl-7-((3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy)-6,9,11-trihydroxy-, (7S-cis)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:42068	DB01177	DR0852	DR00386	497.5	3	C26H27NO9	177	912	1.9	36	5	10	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O	"InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1"	XDXDZDZNSLXDNA-TZNDIEGXSA-N
DG01472	Staurosporine	44259	"Staurosporine; Staurosporin; 62996-74-1; (+)-Staurosporine; Antibiotic 230; Antibiotic AM 2282; AM-2282; CCRIS 3272; Antibiotic AM-2282; UNII-H88EPA0A3N; Alkaloid AM-2282 from Streptomyces; H88EPA0A3N; CHEMBL388978; CHEBI:15738; 8,12-Epoxy-1H,8H-2,7b,12a-triazadibenzo(a,g)cyclonona(cde)trinden-1-one, 2,3,9,10,11,12-hexahydro-9-methoxy-8-methyl-10-(methylamino)-, (8alpha,9beta,10beta,12alpha)-(+)-; (5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-17-oxa-4b,9a,15-triaza-5,9-methanodibenzo[b,h]cyclonona[jkl]cyclopenta[e]-as-indacen-14-one; (5S,6R,7R,9R)-6-methoxy-5-methyl-7-methylamino-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one; GNF-PF-1389; methoxy-methyl-(methylamino)[ ]one; SR-00000001485; Staurosporin, 4; 1nvr; 1stc; 1xbc; 1xjd; 1yhs; 2gcd; Staurosporine, 8; CGP 39360; Staurosporine & TNF; 1q3d; 1sm2; 2dq7; MolMap_000047; SCHEMBL8157; CBiol_001978; BSPBio_001146; GTPL346; BDBM2579; MEGxm0_000307; DTXSID6041131; 1u59; BCPP000063; Bio1_000264; Bio1_000753; Bio1_001242; HMS1990J07; HMS3650B17; EX-A1777; ZINC3814434; AM2282; NSC755774; s1421; AKOS015897119; AM 2282; CCG-208052; DB02010; NSC-755774; QTL1_000078; NCGC00162400-01; NCGC00162400-02; NCGC00162400-03; NCGC00162400-04; NCGC00162400-05; NCGC00162400-06; NCGC00162400-09; 9,13-Epoxy-1H,9H-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)-benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, (9S-(9alpha,10beta,11beta,13alpha)-; HY-15141; Staurosporine & Tumor necrosis factor (TNF); Staurosporine 100 microg/mL in Acetonitrile; Q5957181; SR-00000001485-4; BRD-K17953061-001-02-8; BRD-K17953061-001-04-4; BRD-K17953061-001-05-1; BRD-K17953061-001-08-5; BRD-K17953061-001-10-1; BRD-K17953061-001-11-9; (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one; (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8,10,12,14(28),15(19),20(27),21,23,25-nonaen-16-one; (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one; (5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one; [9S-(9 ,10 ,11 ,13 )]-2,3,10,11,12,13-Hexahydro-10-methoxy-9-methyl-11-(methylamino)-9,13-epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one; 109189-95-9; 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, (9S,10R,11R,13R)- & Tumor necrosis factor (TNF); 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, (9S,10R,11R,13R)- (9CI); 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, [9S-(9alpha,10beta,11beta,13alpha)]-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:15738	DB02010	.	DR00790	466.5	2	C28H26N4O3	69.4	901	3.2	35	2	4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC	"InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1"	HKSZLNNOFSGOKW-FYTWVXJKSA-N
DG01473	3-Deazaneplanocin	73087	"3-Deazaneplanocin; 3-Deazaneplanocin A; 102052-95-9; (1s,2r,5r)-5-(4-amino-1h-imidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol; 3-Deazaneplanocin,DZNep; 3-Deazaneplanocin-A; UNII-544SH4020S; DZNep; (1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol; CHEMBL154745; 544SH4020S; 3-Deaza-neplanocin; c^Neplanocin A; 3-Deazaneplanocin A (DZNep) hydrochloride; 3-Deazaneplanocin A (DZNep; SCHEMBL863851; SCHEMBL12280736; DTXSID30144562; InSolution EZH2 Inhibitor, DZNep; AVS-4275; CEA05295; 3238AH; BDBM50096906; ZINC21290121; AKOS005146283; CS-0357; AC-27393; HY-10442; BRD-K77791657-001-01-1; Q15410156; (-)-1-[(1R,4R,5S)-3-(Hydroxymethyl)-4,5-dihydroxy-2-cyclopenten-1-yl]4-aminoimidazo[4,5-c]pyridine; 3-Cyclopentene-1,2-diol, 5-(4-amino-1H-imidazo(4,5-c)pyridiny-1-yl)-3-(hydroxymethyl)-, (1S-(alpha,2alpha,5beta))-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	262.26	2	C12H14N4O3	117	378	-1.7	19	4	6	C1=CN=C(C2=C1N(C=N2)[C@@H]3C=C([C@H]([C@H]3O)O)CO)N	"InChI=1S/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14)/t8-,10-,11+/m1/s1"	OMKHWTRUYNAGFG-IEBDPFPHSA-N
DG01474	Perifosine	148177	"Perifosine; 157716-52-4; KRX-0401; 1,1-Dimethylpiperidin-1-ium-4-yl octadecyl phosphate; (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl phosphate; Perifosine (KRX-0401); NSC 639966; D 21266; 1,1-dimethylpiperidinium-4-yl octadecyl phosphate; UNII-2GWV496552; KRX 0401; NSC639966; D-21266; NSC-639966; CHEBI:67272; 2GWV496552; NCGC00187909-01; Piperidinium, 4-[[hydroxy(octadecyloxy)phosphinyl]oxy]-1,1-dimethyl-, inner salt; 1,1-dimethylpiperidin-1-ium-4-yl octadecyl phosphate.; Piperidinium, 4-((hydroxy(octadecyloxy)phosphinyl)oxy)-1,1-dimethyl-, inner salt; Perifosine [INN]; NKA17; C25H52NO4P; octadecyl-(1,1-dimethyl-4-piperidylio)phosphate; 4-((Hydroxy(octadecyloxy)phosphinyl)oxy)-1,1-dimethylpiperidinium inner salt; DSSTox_CID_28872; DSSTox_RID_83141; DSSTox_GSID_48946; SCHEMBL93872; CHEMBL372764; GTPL7424; DTXSID3048946; AOB3006; QCR-270; BCP00245; EX-A2229; YHI-1003; Tox21_113365; BDBM50431630; MFCD00927554; NSC800842; s1037; Piperidinium,1-dimethyl-, inner salt; AKOS005146344; CCG-269358; CS-0209; DB06641; EX-3388; GS-3834; NSC-800842; NCGC00187909-02; NCGC00187909-13; AC-25019; AM808092; HY-50909; CAS-157716-52-4; FT-0651459; W3423; A23834; D21266; Octadecyl-(1,1-dimethyl-4-piperidylio) phosphate; J-500086; Q3411917; Perifosine; KRX-0401; NSC 639966; D21266; 4-Hydroxy-1,1-dimethylpiperidinium hydroxide, octadecyl hydrogen phosphate, inner salt"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:67272	DB06641	.	.	461.7	20	C25H52NO4P	58.6	454	8.3	31	0	4	CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](CC1)(C)C	"InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3"	SZFPYBIJACMNJV-UHFFFAOYSA-N
DG01475	Lonafarnib	148195	"Lonafarnib; 193275-84-2; Sarasar; Sch66336; Sch 66336; Sch-66336; UNII-IOW153004F; CHEMBL298734; IOW153004F; (R)-4-(2-(4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl)-2-oxoethyl)piperidine-1-carboxamide; 1-PIPERIDINECARBOXAMIDE, 4-[2-[4-[(11R)-3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL]-1-PIPERIDINYL]-2-OXOETHYL]-; 4-[2-[4-(6,15-Dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide; 4-[2-[4-[(2R)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide; Zokinvy; 1-Piperidinecarboxamide, 4-(2-(4-((11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-yl)-1-piperidinyl)-2-oxoethyl)-; 4-(2-{4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]piperidin-1-yl}-2-oxoethyl)piperidine-1-carboxamide; SMR004701448; Lonafarnib (USAN/INN); Lonafarnib [USAN:INN]; C27H31Br2ClN4O2; Lonafarnib (SCH66336); lonafarnibum; 4-(2-(4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H-benzo-(5,6)-cyclohepta(1,2-b)-pyridin-11(R)-yl)-1-piperidinyl)-2-oxo-ethyl)-1-piperidinecarboxamide; SCH-066336; 4-[2-[4-[(11R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-piperidinyl]-2-oxoethyl]-1-piperidinecarboxamide; 1o5m; (non-labelled)Lonafarnib-d9; SCHEMBL19032; Sarasar; ; ; SCH 66336; (+)-4-(2-(4-(11R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-yl)-piperidin-1-yl))-2-oxoethyl)-piperidine-1-carboxamide; MLS006010423; MLS006011106; GTPL8024; Lonafarnib, >=98% (HPLC); BDBM14459; CHEBI:47097; DTXSID90172927; BCP07027; EX-A1630; ZINC3950115; NSC719467; s2797; AKOS005145760; CCG-270312; CS-0792; DB06448; NSC-719467; NCGC00346707-01; 1-Piperidinecarboxamide, 4-(2-(4-((11R-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-yl)-1-piperidinyl)-2-oxoethyl)-; AC-32661; AS-56182; HY-15136; SW220034-1; Y0240; C73675; D04768; J-514232; Q3258910; (+)-4-[2-[4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11(R)-yl)-1-piperidin-yl]-2-oxo-ethyl]-1-piperidinecarboxamide; (+)-4[2-[4-(8-Chloro-3,11-dihydro-5H-benzo[5,6] cyclohepta[1,2-b]-pyridin-11(R)-yl-1-piperidinyl]-2-oxo-ethyl]-1-piperidinecarboxamide; 4-(2-{4-[(2R)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl]piperidin-1-yl}-2-oxoethyl)piperidine-1-carboxamide; 4-[2-[4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-yl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide; 4-[2-[4-[(11R)-3,10-Dibromo-8-chloro-6,11-dihydro-5h-Benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-Piperidinyl]-2-oxoethyl]-1-Piperidi necarboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:47097	DB06448	DR1861	.	638.8	3	C27H31Br2ClN4O2	79.5	790	4.8	36	1	3	C1CN(CCC1CC(=O)N2CCC(CC2)[C@@H]3C4=C(CCC5=C3N=CC(=C5)Br)C=C(C=C4Br)Cl)C(=O)N	"InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1"	DHMTURDWPRKSOA-RUZDIDTESA-N
DG01476	Cryptotanshinone	160254	"Cryptotanshinone; 35825-57-1; Tanshinone c; Cryptotanshinon; (R)-1,2,6,7,8,9-Hexahydro-1,6,6-trimethyl-phenanthro(1,2-b)furan-10,11-dione; UNII-5E9SXT166N; C19H20O3; (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione; (R)-1,6,6-trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11-dione; MLS001049002; 5E9SXT166N; MFCD07636810; SMR000387041; 4733-35-1; 1,2,6,7,8,9-Hexahydro-1,6,6-trimethyl[1,2-b]furan-10,11-dione; (-)-Cryptotanshinone; (1R)-1,6,6-trimethyl-2,3a,7,8,9,11a-hexahydro-1H-naphtho[1,2-g]benzofuran-10,11-dione; SR-01000758222; NSC686518; starbld0002638; SPECTRUM1505812; CHEMBL187460; cid_160254; SCHEMBL5940386; BDBM57938; CHEBI:149838; Phenanthro(1,2-b)furan-10,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (R)-; HMS2269A22; BCP02909; Cryptotanshinone, >=90% (HPLC); Cryptotanshinone, >=98% (HPLC); HY-N0174; ZINC2109876; Cryptotanshinone, analytical standard; s2285; AKOS015895392; BCP9000554; CCG-208561; CS-3276; DB15579; MCULE-9919031730; NSC-686518; NCGC00163650-01; NCGC00163650-02; BS-17094; NCI60_031208; BCP0726000307; N1843; W2147; 825C571; A822990; Q-100429; SR-01000758222-3; SR-01000758222-4; BRD-K33336844-001-05-3; Q27261913; Phenanthro[1,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (1R)-; (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g]benzofuran-10,11-dione; (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g]benzofuran-10,11-quinone; (R)-(-)-1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11-dione; (R)-1,2,6,7,8,9-Hexahydro-1,6,6-trimethylphenanthro[1,2-b]furan-10,11-dione; 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl- (R)-phenanthro(1,2-b)furan-10,11-dione; Phenanthro[1,2-b]furan-10,11-dione,1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (R)-"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	DB15579	.	.	296.4	0	C19H20O3	43.4	571	3.8	22	0	3	C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C	"InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1"	GVKKJJOMQCNPGB-JTQLQIEISA-N
DG01477	Seliciclib	160355	"Roscovitine; Seliciclib; 186692-46-6; R-Roscovitine; (R)-roscovitine; CYC202; CYC-202; CYC 202; 2-(R)-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine; Seliciclib (Roscovitine); Roscovitine (Seliciclib,CYC202); UNII-0ES1C2KQ94; (R)-2-((6-(Benzylamino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol; NSC-701554; AL-39256; CHEMBL14762; 0ES1C2KQ94; CHEBI:45307; (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol; MFCD02266401; NSC701554; (2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol; (2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol; RRC; C19H26N6O; Rosco; (2R)-2-{[6-(benzylamino)-9-(1-methylethyl)-9H-purin-2-yl]amino}butan-1-ol; (2R)-2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol; Seliciclib [INN]; NSC 701554; 2-(1-ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine; BMK1-E12; 1unl; 3ddq; (2R)-2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-1-butanol; 2a4l; BiomolKI_000048; 1-Butanol, (2R)-; ROSCOVITINE(Seliciclib); BiomolKI2_000054; M02443; CBiol_002016; Lopac0_001102; SCHEMBL94728; BSPBio_001078; KBioGR_000418; KBioSS_000418; MLS006011028; BDBM7533; cid_160355; GTPL6035; Roscovitine, >=98% (TLC); BCBcMAP01_000013; KBio2_000418; KBio2_002986; KBio2_005554; KBio3_000795; KBio3_000796; AOB2095; DTXSID20171928; EX-A052; BCPP000087; Bio1_000302; Bio1_000791; Bio1_001280; Bio2_000379; Bio2_000859; CC205; HMS1362F19; HMS1792F19; HMS1990F19; HMS3229N13; HMS3403F19; AMY10845; BCP01760; Roscovitine (Seliciclib, CYC202); ZINC1649340; HSCI1_000092; NSC800881; s1153; (2R)-2-((6-benzylamino-9-(propan-2-yl)-9h-purin-2-yl)amino)butan-1-ol; 6-(Benzylamino)-2(R)-[[1-(hydroxymethyl)propyl]amino]-9-isopropylpurine; AKOS005146319; AC-2416; CCG-100652; DB06195; NSC-800881; 2-(R)-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol; IDI1_002134; Roscovitine - CAS 186692-46-6; SMP1_000266; 2,6,9-Trisubstituted purine deriv. 28; NCGC00094374-01; NCGC00094374-02; NCGC00094374-03; NCGC00094374-04; NCGC00094374-05; NCGC00094374-13; NCGC00094374-15; AS-56277; HY-30237; NCI60_036420; SMR004702823; SW220195-1; X7381; K00020; 692R466; A813074; J-011999; J-524224; Q3494619; BRD-K07691486-001-03-1; BRD-K07691486-001-05-6; UNII-AIR55KO85E component BTIHMVBBUGXLCJ-OAHLLOKOSA-N; (2R)-2-[[6-(benzylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol; (2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol; (2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol; (R)-2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-1-butanol; 1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-, (2R)-; 1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-, (R)-; 2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]- 9H-purin-2-yl]amino]-(R)-1-butanol; Seliciclib; ; ; CYC-202; ; ; (2R)-2-[[6-(Benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:45307	DB06195	DR1858	DR01494	354.4	8	C19H26N6O	87.9	417	3.2	26	3	6	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	"InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1"	BTIHMVBBUGXLCJ-OAHLLOKOSA-N
DG01478	Enzastaurin	176167	"Enzastaurin; 170364-57-5; Enzastaurin (LY317615); LY317615; 3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(pyridin-2-ylmethyl)piperidin-4-yl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione; LY-317615; UNII-UC96G28EQF; 3-(1-methylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione; UC96G28EQF; LY 317615; CHEMBL300138; DB102; DSSTox_CID_24029; DSSTox_RID_80101; DSSTox_GSID_44029; 3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(pyridin-2-ylmethyl)-piperidin-4-yl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione; C32H29N5O2; 3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione; 3-(1-methyl-1H-indol-3-yl)-4-{1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione; CAS-170364-57-5; 3-(1-Methyl-1H-indol-3-yl)-4-[1-[1-(2-pyridinylmethyl)-4-piperidinyl]-1H-indol-3-yl]-1H-pyrrole-2,5-dione; LE-0014; Enzastaurin [USAN:INN]; Enzastaurin,LY317615; Enzastaurin; LY317615; LY317615 - Enzastaurin; SCHEMBL678748; GTPL5693; DTXSID5044029; CHEBI:91368; AMY7827; BCPP000241; HMS3265M05; HMS3265M06; HMS3265N05; HMS3265N06; HMS3654A13; HMS3748E03; BCP02703; EX-A1055; WHO 8426; ZINC1494900; Tox21_113367; BDBM50128285; DB-102; MFCD11040980; NSC767124; NSC800096; s1055; AKOS015994764; Tox21_113367_1; AC-5900; BCP9000648; CCG-264797; CS-0132; DB06486; NSC-767124; NSC-800096; SB16481; NCGC00238452-01; NCGC00238452-02; NCGC00238452-03; NCGC00238452-11; HY-10342; DB-064781; FT-0667873; SW219797-1; W3715; EC-000.2315; 364E575; J-510442; Q5381479; BRD-K79404599-001-01-0; 1H-Pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1H-indol-3-yl)-; 3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1H-indol-3-yl)-1H-pyrrole-2,5-; 3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmethyl-piperidin-4-yl)-1H-indol-3-yl]-pyrrole-2,5-dione; 3-(1-methyl-1H-indol-3-yl)-4-{1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-indol-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:91368	DB06486	DR1898	.	515.6	5	C32H29N5O2	72.2	974	3.7	39	1	4	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	"InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)"	AXRCEOKUDYDWLF-UHFFFAOYSA-N
DG01479	NSC348884	335974	"NSC348884; 81624-55-7; NSC 348884; NSC-348884; N,N,N',N'-tetrakis[(6-methyl-1H-benzimidazol-2-yl)methyl]ethane-1,2-diamine; NSC348884 hydrate; CHEMBL4584341; SCHEMBL12126212; DTXSID90319638; BCP09001; EX-A2342; s8149; ZINC77029766; BCP9000996; CCG-270304; CS-5564; LP01178; SDCCGSBI-0633803.P001; NSC 348884; AC-32976; BS-17560; HY-13915; C76613; N,N',N'-tetrakis[(6-methyl-1H-benzimidazol-2-yl)methyl]ethane-1,2-diamine; N,N,N',N'-Tetrakis-(5-methyl-1H-benzoimidazol-2-ylmethyl)-ethane-1,2-diamine; N1,N1,N2,N2-Tetrakis((6-methyl-1H-benzo[d]imidazol-2-yl)methyl)ethane-1,2-diamine; (2-{bis[(6-methyl-1H-1,3-benzodiazol-2-yl)methyl]amino}ethyl)bis[(6-methyl-1H-1,3-benzodiazol-2-yl)methyl]amine"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	636.8	11	C38H40N10	121	891	6.1	48	4	6	CC1=CC2=C(C=C1)N=C(N2)CN(CCN(CC3=NC4=C(N3)C=C(C=C4)C)CC5=NC6=C(N5)C=C(C=C6)C)CC7=NC8=C(N7)C=C(C=C8)C	"InChI=1S/C38H40N10/c1-23-5-9-27-31(15-23)43-35(39-27)19-47(20-36-40-28-10-6-24(2)16-32(28)44-36)13-14-48(21-37-41-29-11-7-25(3)17-33(29)45-37)22-38-42-30-12-8-26(4)18-34(30)46-38/h5-12,15-18H,13-14,19-22H2,1-4H3,(H,39,43)(H,40,44)(H,41,45)(H,42,46)"	KZOLQEUQAFTQFM-UHFFFAOYSA-N
DG01480	JW67	644733	"JW 67; 442644-28-2; JW67; CHEMBL1459534; SMR000013289; Trispiro[3H-indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-[3H]indole]-2,2'''(1H,1'''H)-dione (9CI); trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione; ChemDiv1_018326; Oprea1_749592; MLS000076453; MLS001385179; SCHEMBL21843254; HMS639A22; HMS2324F10; HMS3429N11; JW-67; ZINC4126706; BDBM50380615; STK056247; AKOS000550561; CID 644733; JW67, >=98% (HPLC); HY-108442; CS-0028671; SR-01000537125; SR-01000537125-1; Trispiro[3H-indole-3,2'-[1,3]dioxane-2'',3'''-[3H]indole]-2,2'''(1H,1'''H)-dione"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	394.4	0	C21H18N2O6	95.1	647	0.5	29	2	6	C1C2(COC3(O1)C4=CC=CC=C4NC3=O)COC5(C6=CC=CC=C6NC5=O)OC2	"InChI=1S/C21H18N2O6/c24-17-20(13-5-1-3-7-15(13)22-17)26-9-19(10-27-20)11-28-21(29-12-19)14-6-2-4-8-16(14)23-18(21)25/h1-8H,9-12H2,(H,22,24)(H,23,25)"	BTXRSHKJNDFHGA-UHFFFAOYSA-N
DG01481	TASIN-1	1329829	"TASIN-1; 792927-06-1; 1'-((4-methoxyphenyl)sulfonyl)-4-methyl-1,4'-bipiperidine; 1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine; 1'-[(4-methoxyphenyl)sulfonyl]-4-methyl-1,4'-bipiperidine; CHEMBL4514756; SCHEMBL17007497; ZINC4744379; NSC766210; STK193520; AKOS003649063; HY-116572A; MCULE-6685404683; NSC-766210; AT-057/43468793; 1-[(4-methoxyphenyl)sulfonyl]-4'-methyl-4,1'-bipiperidine"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	352.5	4	C18H28N2O3S	58.2	481	2.9	24	0	5	CC1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC	"InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)16-9-13-20(14-10-16)24(21,22)18-5-3-17(23-2)4-6-18/h3-6,15-16H,7-14H2,1-2H3"	XCBHYDPDIJQQGM-UHFFFAOYSA-N
DG01482	NAV-2729	2257249	"NAV-2729; 419547-11-8; 2-benzyl-3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one; CHEMBL3716578; NAV 2729; 2-benzyl-3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one; 3-(4-Chlorophenyl)-5-(4-nitrophenyl)-2-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one; NAV-2729Grassofermata; Oprea1_305395; SCHEMBL13516218; NAV2729; CHEBI:132811; AMY23749; EX-A2011; BDBM50168142; AKOS030211129; ZINC106616565; BS-16805; HY-112473; CS-0046101; D80454; 2-benzyl-3-(4-chlorophenyl)-5-(4-nitrophenyl)-4H-pyrazolo[1,5-a]pyrimidin-7-one"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	456.9	4	C25H17ClN4O3	90.5	871	5.3	33	1	5	C1=CC=C(C=C1)CC2=C(C3=NC(=CC(=O)N3N2)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl	"InChI=1S/C25H17ClN4O3/c26-19-10-6-18(7-11-19)24-22(14-16-4-2-1-3-5-16)28-29-23(31)15-21(27-25(24)29)17-8-12-20(13-9-17)30(32)33/h1-13,15,28H,14H2"	WHYGBVWGARJOCS-UHFFFAOYSA-N
DG01483	U0126	3006531	"U0126; 109511-58-2; U-0126; 1,4-Diamino-2,3-dicyano-1,4-bis(o-aminophenylmercapto)butadiene; U 0126; UNII-8027P94HLL; CHEBI:64208; (2Z,3Z)-2,3-bis(amino((2-aminophenyl)thio)methylene)succinonitrile; 8027P94HLL; C18H16N6S2; (2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile; 109511-58-2 (free); 218601-62-8; FT-1069-1; (2z)-Bis{amino[(2-Aminophenyl)sulfanyl]methylidene}butanedinitrile; (2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylene}succinonitrile; 1,4-Diamino-2,3-dicyano-1,4-bis[2-aminophenylthio]butadiene; (2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile; UO-126; BiomolKI_000002; BiomolKI2_000012; BMK1-B2; BSPBio_001224; CHEMBL34704; GTPL5282; Succinonitrile, bis(amino(o-aminophenylthio)methylene)-; CHEBI:90693; CHEBI:91463; Butanedinitrile, bis(amino((2-aminophenyl)thio)methylene)-; DTXSID10892034; HMS1362N05; HMS1792N05; HMS1990N05; HMS3403N05; HMS3414K05; HMS3678K05; AMY31125; BCP01851; EX-A1754; HY-12031A; (2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanyl-methylene]butanedinitrile; (2Z,3Z)-bis({amino[(2-aminophenyl)sulfanyl]methylidene})butanedinitrile; AKOS024456414; ZINC100007148; CCG-100606; LS40194; IDI1_002207; SMP2_000197; NCGC00025029-02; NCGC00025029-03; NCGC00025029-04; CS-0003351; U 126; V2422; A846574; A906530; SR-01000597365; J-002297; Q7863562; SR-01000597365-1; BRD-K18787491-001-04-5; BRD-K46419649-001-01-8; 2,3-Bis(amino((2-aminophenyl)thio)methylene)succinonitrile; Butanedinitrile,2,3-bis[amino[(2-aminophenyl)thio]methylene]-; (2Z,3Z)-2,3-Bis[amino[(2-aminophenyl)thio]methylene]butanedinitrile; Butanedinitrile, bis(amino((2-aminophenyl)thio)methylene)-, (2Z,3Z)-; 5BM"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:64208	.	.	.	380.5	5	C18H16N6S2	202	610	2	26	4	8	C1=CC=C(C(=C1)N)S/C(=C(/C(=C(/SC2=CC=CC=C2N)\\N)/C#N)\\C#N)/N	"InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8H,21-24H2/b17-11+,18-12+"	DVEXZJFMOKTQEZ-JYFOCSDGSA-N
DG01484	Amrubicin	3035016	"Amrubicin; 110267-81-7; UNII-93N13LB4Z2; C25H25NO9; 93N13LB4Z2; (+-)-(7S,9S)-9-Acetyl-9-amino-7-((2-deoxy-beta-D-erythro-pentopyranosyl)oxy)-7,8,9,10-tetrahydro-6,11-dihydroxy-5,12-naphthacenedione; (7S,9S)-9-acetyl-9-amino-7-(((2S,4S,5R)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-6,11-dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione; Amrubicin [USAN:INN]; amrubicina; amrubicine; amrubicinum; Amrubicin Api; (7S,9S)-9-acetyl-9-amino-7-[(2S,4S,5R)-4,5-dihydroxyoxan-2-yl]oxy-6,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione; (7S,9S)-9-acetyl-9-amino-7-{[(2S,4S,5R)-4,5-dihydroxytetrahydro-2H-pyran-2-yl]oxy}-6,11-dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione; Amrubicin (USAN/INN); Amrubicin(SM-5887); SCHEMBL9140; CHEMBL1186894; EX-A161; CHEBI:135779; HY-B0067; ZINC3780800; 3441AH; DB06263; LS41109; AC-31129; D08854; W-60403; Q4748723; W-200813; (1S,3S)-3-acetyl-3-amino-5,12-dihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2-deoxy-beta-D-erythro-pentopyranoside; 5,12-Naphthacenedione, 9-acetyl-9-amino-7-((2-deoxy-beta-D-erythro-pentopyranosyl)oxy)-7,8,9,10-tetrahydro-6,11-dihydroxy-, (7S,9S)-"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:135779	DB06263	.	.	483.5	3	C25H25NO9	177	881	0.9	35	5	10	CC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)O[C@H]5C[C@@H]([C@@H](CO5)O)O)N	"InChI=1S/C25H25NO9/c1-10(27)25(26)7-13-18(16(8-25)35-17-6-14(28)15(29)9-34-17)24(33)20-19(23(13)32)21(30)11-4-2-3-5-12(11)22(20)31/h2-5,14-17,28-29,32-33H,6-9,26H2,1H3/t14-,15+,16-,17-,25-/m0/s1"	VJZITPJGSQKZMX-XDPRQOKASA-N
DG01485	K252a	3035817	"K-252a; Antibiotic K 252a; 99533-80-9; Antibiotic SF 2370; K252a; SF 2370; UNII-IV7H45AM5B; IV7H45AM5B; CHEMBL281948; CHEBI:43616; SF-2370; K 252a; methyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8,14,15-hexahydro-13H-16-oxa-4b,8a,14-triaza-5,8-methanodibenzo[b,h]cycloocta[jkl]cyclopenta[e]-as-indacene-6-carboxylate; methyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8,14,15-hexahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6-carboxylate; (+)-Antibiotic K 252a; (+)-K-252A; 1r0p; SCHEMBL968886; BDBM6760; DTXSID40880065; K-252a, from Nocardiopsis sp.; 3f69; (+)-k252a; HY-N6732; ZINC3872984; MFCD00161522; NSC800777; SF2370; AKOS024456746; DB02152; NSC-800777; CS-0014825; Q5931064; K-252a, from Nocardiopsis sp., >=96.0% (HPLC); K-252a, from Nonomuraea longicatena, >=98% (HPLC); K-252a, Ready Made Solution, from Nonomuraea longicatena, >98%; (9S,10R,12R)-2,3,9,10,11,12-Hexahydro-10-hydroxy-9-methyl-1-oxo-9,12-epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid methyl ester; 9,1-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, methyl ester, (9-alpha,10-beta,12-alpha)-; 9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, methyl ester, (9alpha,10beta,12alpha)-; methyl (15S,16R,18R)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:43616	.	.	.	467.5	2	C27H21N3O5	94.7	977	2.8	35	2	5	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)OC)O	"InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/m1/s1"	KOZFSFOOLUUIGY-SOLYNIJKSA-N
DG01486	Tandutinib	3038522	"Tandutinib; 387867-13-2; MLN-518; MLN518; CT53518; Tandutinib (MLN518); MLN 518; CT 53518; 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide; UNII-E1IO3ICJ9A; CT-53518; N-(4-isopropoxyphenyl)-4-(6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-yl)piperazine-1-carboxamide; E1IO3ICJ9A; CHEMBL124660; CHEBI:90237; MLN-0518; MFCD09954147; NSC726292; NSC-759851; NCGC00241097-01; D06005; DSSTox_CID_28873; DSSTox_RID_83142; DSSTox_GSID_48947; 4-{6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl}-N-[4-(propan-2-yloxy)phenyl]piperazine-1-carboxamide; CAS-387867-13-2; Tandutinib [USAN:INN]; tandutinibum; Kinome_3320; MLN518, Tandutinib; Tandutinib(MLN518); Tandutinib - MLN518; Tandutinib (USAN/INN); Tandutinib(CT 53518); MLS006010972; SCHEMBL927974; DTXSID8048947; BDBM13535; cid_3038522; AOB5045; SYN1088; TANDUTINIB (CT53518); BCPP000051; HMS3244A21; HMS3244A22; HMS3244B21; HMS3264G08; HMS3654O09; HMS3745A09; Pharmakon1600-01502277; AMY32698; BCP01370; EX-A1637; ZINC3966243; Tox21_113366; NSC759851; NSC760841; NSC800942; s1043; AKOS015902621; Tox21_113366_1; AC-1659; CCG-213017; CS-0128; DB05465; ES-0051; NSC 759851; NSC-726292; NSC-760841; NSC-800942; SB19380; NCGC00241097-02; NCGC00241097-03; NCGC00241097-07; HY-10202; SMR004702776; B1526; FT-0653217; SW218125-2; EC-000.2262; Tandutinib pound MLN518, CT53518 pound(c); AB01562955_01; 867T132; A824282; Q-201778; BRD-K89162000-001-01-5; Q27095683; MLN518;CT53518;MLN 518;CT 53518;MLN-518;CT-53518; 1-Piperazinecarboxamide, 4-(6-methoxy-7-(3-(1-piperidinyl)propoxy)-4-quinazolinyl)-N-(4-(1-methylethoxy)phenyl)-; 1227636-17-0; 4-(6-Methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-yl)-N-(4-(1-methylethoxy)phenyl)piperazine-1-carboxamide; 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-[4-(1-methylethoxy)phenyl]piperazine-1-carboxamide; 4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-(4-propan-2-yloxyphenyl)-1-piperazinecarboxamide; 4-[6-Methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-[4-(1-methylethoxy)phenyl]-1-piperazinecarboxamide; 4-[7-(3-Piperidin-1-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide; N-(4-isopropoxyphenyl)-4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]piperazine-1-carboxamide"	Discontinued in Phase 2	12	Discontinued Drug(s)	Discontinued in Phase 2	Small molecular drug	.	CHEBI:90237	DB05465	.	.	562.7	10	C31H42N6O4	92.3	783	4.6	41	1	8	CC(C)OC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCCC5	"InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)"	UXXQOJXBIDBUAC-UHFFFAOYSA-N
DG01487	BPTES	3372016	"BPTES; 314045-39-1; Bis-2-(5-phenylacetamido-1,3,4-thiadiazol-2-yl)ethyl sulfide; 3uo9; N,N'-[sulfanediylbis(Ethane-2,1-Diyl-1,3,4-Thiadiazole-5,2-Diyl)]bis(2-Phenylacetamide); CHEMBL2177757; 2,2'-(5,5'-(2,2'-thiobis(ethane-2,1-diyl))bis(1,3,4-thiadiazole-5,2-diyl))bis(azanediyl)bis(1-phenylethanone); 2-phenyl-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide; N,N'-((thiobis(ethane-2,1-diyl))bis(1,3,4-thiadiazole-5,2-diyl))bis(2-phenylacetamide); 2-phenyl-N-{5-[2-({2-[5-(2-phenylacetamido)-1,3,4-thiadiazol-2-yl]ethyl}sulfanyl)ethyl]-1,3,4-thiadiazol-2-yl}acetamide; 4jkt; 04A; SCHEMBL2640644; Glutaminase Inhibitor II, BPTES; SNX1770; HMS3866K13; BCP15991; BPTES, >=95% (HPLC); EX-A2297; SNX-1770; ZINC4426660; BDBM50400050; MFCD01079848; NSC798303; s7753; AKOS027470168; CCG-269883; CS-4586; NSC-798303; NCGC00420698-04; AC-29967; AS-70948; HY-12683; A14954; US8604016, 1; Q27449834; Bis[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazole-2-yl]ethyl] sulfide; (N,N'-[thiobis(2,1-ethanediyl-1,3,4-thiadiazole-5,2-diyl)]bisbenzeneacetamide); N,N'-[Thiobis(2,1-ethanediyl-1,3,4-thiadiazole-5,2-diyl)]bis[benzeneacetamide]; N,N'-[Thiobis(2,1-ethanediyl-1,3,4-thiadiazole-5,2-diyl)]bisbenzeneacetamide; 2,2-(5,5-(2,2-thiobis(ethane-2,1-diyl))bis(1,3,4-thiadiazole-5,2-diyl))bis(azanediyl)bis(1-phenylethanone)"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	524.7	12	C24H24N6O2S3	192	609	4	35	2	9	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	"InChI=1S/C24H24N6O2S3/c31-19(15-17-7-3-1-4-8-17)25-23-29-27-21(34-23)11-13-33-14-12-22-28-30-24(35-22)26-20(32)16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,25,29,31)(H,26,30,32)"	MDJIPXYRSZHCFS-UHFFFAOYSA-N
DG01488	N-arachidonoyl dopamine	5282105	"NADA; N-Arachidonoyl dopamine; Arachidonoyl dopamine; 199875-69-9; N-Arachidonyldopamine; N-Arachidonyl dopamine; Arachidonyl dopamine; N-arachidonoyldopamine; (5Z,8Z,11Z,14Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]icosa-5,8,11,14-tetraenamide; CHEMBL138921; CHEBI:31231; N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-dopamine; N-[2-(3,4-Dihydroxyphenyl)ethyl]-5Z,8Z,11Z,14Z-eicosatetraenamide; NADA dopamine; 5,8,11,14-Eicosatetraenamide, N-[2-(3,4-dihydroxyphenyl)ethyl]-,(5Z,8Z,11Z,14Z)-; AA-DA; n-arachidonoyl-dopamine; SCHEMBL154051; BML3-G03; GTPL4261; N-arachidonoyl-dopamine (NADA); BDBM20462; DTXSID70415208; HMS3649B19; ZINC4102443; 1907AH; LMFA08020084; AKOS015951332; NCGC00161231-03; NCGC00161231-04; NCGC00161231-05; HY-110018; SR-01000946639; Q3869319; SR-01000946639-1; Arachidonoyl dopamine, >=98% (HPLC), ethanol solution"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:31231	.	.	.	439.6	17	C28H41NO3	69.6	579	7.3	32	3	3	CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCCC1=CC(=C(C=C1)O)O	"InChI=1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b7-6-,10-9-,13-12-,16-15-"	MVVPIAAVGAWJNQ-DOFZRALJSA-N
DG01489	PD-180970	5311104	"287204-45-9; PD180970; PD-180970; PD 180970; UNII-TSO2IAD7WJ; TSO2IAD7WJ; 6-(2,6-Dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)amino]-8-methyl-pyrido[2,3-d]pyrimidin-7(8H)-one; 6-(2,6-DICHLORO-PHENYL)-2-(4-FLUORO-3-METHYL-PHENYLAMINO)-8-METHYL-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE; 6-(2,6-Dichlorophenyl)-2-[(4-Fluoro-3-Methylphenyl)amino]-8-Methylpyrido[2,3-D]pyrimidin-7(8h)-One; 2hzi; 6-(2,6-Dichlorophenyl)-2-((4-fluoro-3-methylphenyl)amino)-8-methylpyrido(2,3-d)pyrimidin-7(8H)-one; 6-(2,6-dichlorophenyl)-2-((4-fluoro-3-methylphenyl)amino)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one; PD-180790; PD-0180970; PF-1515965; SCHEMBL256711; BDBM6572; CHEMBL574058; DTXSID90415508; ZINC602675; MFCD10565929; AKOS024458440; CCG-221312; 6-(2,6-dichlorophenyl)-2-(4-fluoro-3-methylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one; NCGC00379241-02; Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-(2,6-dichlorophenyl)-2-((4-fluoro-3-methylphenyl)amino)-8-methyl-; HY-103274; CS-0026795; FT-0765936; PD-180970, >=98% (HPLC); J-017220; Q27290258; 6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one; JIN"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	429.3	3	C21H15Cl2FN4O	58.1	640	5.4	29	1	5	CC1=C(C=CC(=C1)NC2=NC=C3C=C(C(=O)N(C3=N2)C)C4=C(C=CC=C4Cl)Cl)F	"InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)"	SLCFEJAMCRLYRG-UHFFFAOYSA-N
DG01490	BI-69A11	5343381	"Bi-69a11; 1233322-09-2; (E)-3-(1H-benzo[d]imidazol-2-yl)-1-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)prop-2-en-1-one; CHEMBL190313; (E)-3-(3-(1H-benzo[d]imidazol-2-yl) acryloyl)-6-chloro-4-phenylquinolin-2(1H)-one; 3-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one; compound 5809365; SCHEMBL2578486; SCHEMBL2578489; BDBM15187; AOB1376; BDBM50540082; ZINC13641346; AKOS001579464; AKOS024574175; AT27462; NCGC00402356-02; AS-16644; BIM-0034205.P001; F0016-1319; F0266-2668; (E)-3-(3-(1H-benzo[d]imidazol-2-yl)acryloyl)-6-chloro-4-phenylquinolin-2(1H)-one; 3-[(E)-3-(1H-1,3-benzimidazol-2-yl)-2-propenoyl]-6-chloro-4-phenyl-2(1H)-quinolinone; (E)-3-(1H-1,3-benzimidazol-2-yl)-1-(6-chloro-2-hydroxy-4-phenyl-3-quinolyl)-2-propen-1-one; 3-[(2E)-3-(1H-1,3-benzodiazol-2-yl)prop-2-enoyl]-6-chloro-4-phenyl-1,2-dihydroquinolin-2-one"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	425.9	4	C25H16ClN3O2	74.8	773	4.7	31	2	3	C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)/C=C/C4=NC5=CC=CC=C5N4	"InChI=1S/C25H16ClN3O2/c26-16-10-11-18-17(14-16)23(15-6-2-1-3-7-15)24(25(31)29-18)21(30)12-13-22-27-19-8-4-5-9-20(19)28-22/h1-14H,(H,27,28)(H,29,31)/b13-12+"	SBOKKVUBLNZTCT-OUKQBFOZSA-N
DG01491	NSC319726	5351307	"NSC319726; 71555-25-4; NSC 319726; CID 5351307; N'-(1-(Pyridin-2-yl)ethylidene)azetidine-1-carbothiohydrazide; N-[(E)-1-pyridin-2-ylethylideneamino]azetidine-1-carbothioamide; (E)-N'-(1-(pyridin-2-yl)ethylidene)azetidine-1-carbothiohydrazide; NSC-319726; MLS002703052; AZETIDINE CARBOTHIOIC ACID, [1-(2-PYRIDINYL)ETHYLIDENE]HYDRAZIDE; CHEMBL1976486; SCHEMBL17975335; Azetidinecarbothioic acid, [1-(2-pyridinyl)ethylidene] hydrazide; EX-A2113; WCA55525; 2597AH; CCG-35689; s7149; ZINC17122727; AKOS024458479; CS-3542; AC-32867; AS-56104; HY-18634; LS-13960; A899911; BRD-K99170882-001-01-9; Azetidine-1-carbothioic acid(1-pyridin-2-yl-ethylidene)hydrazide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	234.32	2	C11H14N4S	72.6	286	1.4	16	1	3	C/C(=N\\NC(=S)N1CCC1)/C2=CC=CC=N2	"InChI=1S/C11H14N4S/c1-9(10-5-2-3-6-12-10)13-14-11(16)15-7-4-8-15/h2-3,5-6H,4,7-8H2,1H3,(H,14,16)/b13-9+"	XDHBUMNIQRLHGO-UKTHLTGXSA-N
DG01492	NSC59984	5356520	"NSC59984; 803647-40-7; NSC 59984; (E)-1-(4-methylpiperazin-1-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one; NSC-59984; MLS000737358; SMR000528276; 1-(4-methylpiperazin-1-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one; CHEMBL1979662; SCHEMBL17071991; SCHEMBL17654893; BDBM96260; cid_5356520; EX-A776; HMS2885J20; BCP16647; MFCD29905462; s8106; ZINC59727553; NSC59984,NCI59984; CCG-267098; CS-5382; AC-32965; BS-18159; HY-19726; NSC59984, >=98% (HPLC); A13413; J-690353; (E)-1-(4-methylpiperazino)-3-(5-nitro-2-furyl)prop-2-en-1-one; (E)-1-(4-methyl-1-piperazinyl)-3-(5-nitro-2-furanyl)-2-propen-1-one; N-[1,3-Dimethyl-2-oxo-6-(1-pyrrolidinyl)-2,3-dihydro-1H-benzimidazol-5-yl]-2-methoxybenzamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	265.26	2	C12H15N3O4	82.5	372	0.4	19	0	5	CN1CCN(CC1)C(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]	"InChI=1S/C12H15N3O4/c1-13-6-8-14(9-7-13)11(16)4-2-10-3-5-12(19-10)15(17)18/h2-5H,6-9H2,1H3/b4-2+"	QKTRIGNWBRHBFV-DUXPYHPUSA-N
DG01493	Pyridone 6	5494425	"Pyridone 6; 457081-03-7; JAK Inhibitor I; Merck-5; CMP 6; Merck 5; CMP-6; 2-tert-butyl-9-fluoro-3H-benzo[h]imidazo[4,5-f]isoquinolin-7(6H)-one; LDX3F0CCST; UNII-LDX3F0CCST; CHEMBL21156; 2-(1,1-Dimethylethyl)-9-fluoro-3,6-dihydro-7H-benz[h]-imidaz[4,5-f]isoquinolin-7-one; CHEBI:87103; Compound # 2; 2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE; 2-(1,1-Dimethylethyl)-9-fluoro-1,6-dihydro-7H-benz[h]imidazo[4,5-f]isoquinolin-7-one; 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE; C18H16FN3O; JAK Inhibitor; 2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one; 2-tert-butyl-9-fluoro-3,6-dihydro-7H-benzo[h]imidazo[4,5-f]isoquinolin-7-one; JAK I inhibitor; Jak Inhibitor 1; PDK1 inhibitor, 1; Kinome_3740; pan-JAK inhibitor P6; 2b7a; Merck-5;CMP 6; Tetracyclic Pyridone, 1; JAK Inhibitor I(Merck 5); SCHEMBL904545; GTPL5992; STO185; SCHEMBL23199918; BDBM26198; DTXSID40420526; EX-A123; SYN1054; BCPP000167; HMS3229G07; HMS3244K21; HMS3244K22; HMS3244L21; BCP01959; Janus-Associated Kinase Inhibitor I; 3809AH; MFCD17019334; ZINC12504479; AKOS026750650; AKOS030240416; AKOS032949970; BCP9000906; CCG-206761; CS-1056; DB04716; SB18936; 2-tert-butyl-9-fluoro-3,6-dihydro-7H-benz(h)imidazo(4,5-f)isoquinoline-7-one; NCGC00345828-01; NCGC00345828-07; AM806646; AS-16211; HY-14435; QC-10171; FT-0700310; Y0239; H11177; K00013; K00225; SR-03000000978-1; Q27096425; 2-(tert-butyl)-9-fluoro-3H-benzo[h]imidazo[4,5-f]isoquinolin-7(6H)-one; 2-(1,1-dimethylethyl)-9-fluoro-3,6-dihydro-7h-benz [h]-imidazo [4,5-f]isoquinolin-7-one; 2-tert-butyl-9-fluoro-1,6-dihydro-7h-benz[h]imidazo[4,5-f]isoquinolin-7-one; 2-tert-butyl-9-fluoro-1,6-dihydro-7h-benzo[h]imidazo[4,5-f]isoquinolin-7-one; 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.0(2),.0,(1)(2)]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one; 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.0,.0,]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one; 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.0^{2,6.0^{7,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one; 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one; 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1(17),2(6),4,7(12),8,13,15-heptaen-11-one; 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one; JAK Inhibitor I; 2-(1,1-Dimethylethyl)-9-fluoro-3,6-dihydro-7H-benz[h]-imidaz[4,5-f]isoquinolin-7-one"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:87103	.	.	.	309.3	1	C18H16FN3O	57.8	529	4	23	2	3	CC(C)(C)C1=NC2=C(N1)C3=C(C=C(C=C3)F)C4=C2C=CNC4=O	"InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)"	VNDWQCSOSCCWIP-UHFFFAOYSA-N
DG01494	Tanespimycin	6505803	"Tanespimycin; 75747-14-7; 17-AAG; 17-(Allylamino)-17-demethoxygeldanamycin; 17-(Allylamino)geldanamycin; 17AAG; NSC-330507; 17-Allylaminogeldanamycin; KOS-953; Cp 127374; NSC 330507; 17-Demethoxy-17-allylamino geldanamycin; UNII-4GY0AVT3L4; CHEBI:64153; 17-AAG (Tanespimycin); BMS-722782; 4GY0AVT3L4; MFCD04973892; NCGC00163424-01; 17-N-allylamino-17-demethoxygeldanamycin; 17-demethoxy-17-(2-propenylamino)geldanamycin; [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate; Geldanamycin, 17-demethoxy-17-(2-propenylamino)-; NSC330507; (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-en-1-ylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate; [(3S,5S,6R,7S,8E,10R,11S,12E,14E)-6-Hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-8,12,14,18,21-pentaen-10-yl] carbamate; Tanespimycin [USAN:INN]; KOS 953; tanespimycina; tanespimycine; tanespimycinum; CCRIS 9401; 17-Demethoxy-17-allylaminogeldanamycin; C31H43N3O8; Tanespimycin (USAN); Tanespimycin (17-AAG); Geldanamycin, 17-(Allylamino)-17-demethoxy-; DSSTox_CID_26352; DSSTox_RID_81555; DSSTox_GSID_46352; BSPBio_001434; SCHEMBL2604976; DTXSID5046352; SCHEMBL13037468; SCHEMBL16226295; CHEBI:94756; CNF-101; CNF1010; HMS1361H16; HMS1791H16; HMS1989H16; HMS3402H16; (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(allylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate; CNF-1010; EX-A4668; NSC-330507D; Tox21_112054; BDBM50008057; s1141; AKOS024456643; ZINC100014666; BCP9000064; CCG-208039; CS-0161; DB05134; NSC-704057; IDI1_033904; NCGC00163424-02; NCGC00163424-04; NCGC00163424-05; NCGC00163424-06; NCGC00163424-07; Allylamino-17-demethoxygeldanamycin, 17-; HY-10211; Geldanamycin, des-O-methyl-17-allylamino-; CAS-75747-14-7; CP-127374; Geldanamycin, 17-allylamino-17-demethoxy-; X7553; D06650; 747A147; Geldanamycin,17-demethoxy-17-(2-propenylamino)-; J-504153; BRD-K81473043-001-03-9; BRD-K81473043-001-08-8; 17-(Allylamino)-17-demethoxygeldanamycin, >=98% (HPLC), solid; (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-Hydroxy-8,14-dimethoxy-4,10,12,16- tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo(16.3.1)docosa- 1(21),4,6,10,18-penten-9-yl carbamate; [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-(allylamino)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate; 17-AAG; ; ; 17-(Allylamino)-17-demethoxy-geldanamycin; ; ; [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6-Hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:64153	DB05134	.	.	585.7	7	C31H43N3O8	166	1210	2.6	42	4	9	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\\C=C(\\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\\C)C)O)OC	"InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1"	AYUNIORJHRXIBJ-TXHRRWQRSA-N
DG01495	SU5614	6536806	"SU-5614; 1055412-47-9; su5614; (Z)-5-Chloro-3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)indolin-2-one; CHEMBL2062155; CHEBI:87159; 186611-56-3; SU 5614; (Z)-SU5614; AC1NS4RE; (3Z)-5-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one; (3Z)-5-Chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-1,3-dihydro-2H-indol-2-one; MFCD08443928; 5-Chloro-3-[(3,5-dimethylpyrrol-2-yl)methylene]-2-indolinone; 5-CHLORO-3-(3,5-DIMETHYL-1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-INDOL-2-ONE; EX-A821; ZINC3875026; BDBM50415432; HY-18952A; AKOS030527565; CID:6536806; NCGC00480782-01; AS-70968; DS-019384; SU5614, >=98% (HPLC); CS-0029269; A895990; J-690017; Q27159416; 5-chloro-3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)indolin-2-one; 5-chloro-3-(3,5-dimethyl-1h-pyrrol-2-ylmethylene)-1,3-dihydroindol-2-one; (3Z)-5-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one; (3Z)-5-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one; 3-Chloro-N-[(1S)-2-[[2-(dimethylamino)acetyl]amino]-1-[[4-[8-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]methyl]ethyl]-4- (1-methylethoxy)-benzamide"	Terminated	10	Discontinued Drug(s)	Terminated	Small molecular drug	.	CHEBI:87159	.	.	.	272.73	1	C15H13ClN2O	44.9	409	3.1	19	2	1	CC1=CC(=C(N1)/C=C\\2/C3=C(C=CC(=C3)Cl)NC2=O)C	"InChI=1S/C15H13ClN2O/c1-8-5-9(2)17-14(8)7-12-11-6-10(16)3-4-13(11)18-15(12)19/h3-7,17H,1-2H3,(H,18,19)/b12-7-"	XLBQNZICMYZIQT-GHXNOFRVSA-N
DG01496	CI-1040	6918454	"212631-79-3; CI-1040; PD184352; PD 184352; PD-184352; 2-(2-chloro-4-iodophenylamino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide; CI 1040; PD184352 (CI-1040); CI1040; 2-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide; 2-((2-Chloro-4-iodophenyl)amino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide; 2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide; PD-18435; UNII-R3K9Y00J04; C.I. 1040; CHEMBL105442; R3K9Y00J04; MFCD02683961; NCGC00189074-01; PD 184352CI-1040; CI-1040 (PD184352); DSSTox_CID_28871; DSSTox_RID_83140; DSSTox_GSID_48945; C17H14ClF2IN2O2; 2-[(2-CHLORO-4-IODOPHENYL)AMINO]-N-(CYCLOPROPYLMETHOXY)-3,4-DIFLUOROBENZAMIDE; CAS-212631-79-3; PD 184,352; MLS006010176; SCHEMBL570330; PD 184352, Free Base; GTPL5676; QCR-25; DTXSID8048945; CHEBI:91353; SYN1031; HMS3244G05; HMS3244G06; HMS3244H05; HMS3265I07; HMS3265I08; HMS3265J07; HMS3265J08; HMS3654I05; AOB87195; BCP01791; EX-A2202; ZINC1489691; Tox21_113363; BDBM50132260; NSC765695; s1020; AKOS022184333; Tox21_113363_1; CCG-269529; CS-0058; DB12429; NSC-765695; SB19417; NCGC00189074-03; NCGC00189074-05; AC-25483; AS-19373; HY-50295; SMR004701284; CI-1040,PD184352; DB-014962; CI-1040; PD184352; FT-0673543; SW219604-1; X7396; EC-000.2331; PD 184352(CI-1040); PD184352 - CI-1040; A25744; PD184352, >=98% (HPLC); 631C793; US8575391, 341; J-505572; BRD-K05104363-001-01-9; Q27076005; 2-(2-Chloro4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide; 2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmethoxy-3,4-difluoro-benzamide; 2-[(2-Chloro-4-iodophenyl)amino]-N-cyclopropylmethoxy)-3,4-difluorobenzamide; Benzamide, 2-((2-chloro-4-iodophenyl)amino)-N-(cyclopropylmethoxy)-3,4-difluoro-; CI-1040; ; ; 2-(2-Chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:91353	DB12429	.	.	478.7	6	C17H14ClF2IN2O2	50.4	472	5.6	25	2	5	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	"InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)"	GFMMXOIFOQCCGU-UHFFFAOYSA-N
DG01497	Rigosertib	6918736	"Rigosertib; 592542-59-1; UNII-67DOW7F9GL; ON 01910; ON-01910; 67DOW7F9GL; 2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetic acid; (E)-2-((2-methoxy-5-(((2,4,6-trimethoxystyryl)sulfonyl)methyl)phenyl)amino)acetic acid; N-[2-Methoxy-5-({[(E)-2-(2,4,6-Trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine; ON-01910.Na; Rigosertib [USAN:INN]; rigosertibum; 6FS; Rigosertib (USAN); Estybon (proposed trade name); SCHEMBL498623; SCHEMBL498624; GTPL7833; CHEMBL1241855; ON01910.Na; DTXSID30207984; 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]anilino]acetic acid; CHEBI:124939; CHEBI:145417; BCP08296; EX-A4346; ZINC3942646; 4006AH; BDBM50060917; AKOS015966442; DB12146; N-[2-Methoxy-5-[[[(1E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl]methyl]phenyl]glycine; (E)-ON 01910; 2-[[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]amino]acetic Acid; AC-32479; AS-35249; ON-01910ON-01910; D10154; ON-01910;ON01910;ON 01910; BRD-K55187425-236-01-1; Q21099552; (e)-2-(5-((2,4,6-trimethoxystyrylsulfonyl)methyl)-2-methoxyphenylamino)acetic acid; [2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetic acid; [2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetic acid; N-(2-Methoxy-5-((((1E)-2-(2,4,6-trimethoxyphenyl)ethenyl)sulfonyl)methyl) phenyl)glycine; N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine; Glycine, N-(2-methoxy-5-((((1E)-2-(2,4,6-trimethoxyphenyl)ethenyl)sulfonyl) methyl)phenyl)-; Glycine, N-[2-Methoxy-5-[[[(1E)-2-(2,4,6-triMethoxyphenyl)ethenyl]sulfonyl]Methyl]phenyl]-; ON-01910; ; ; 2-[2-Methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetic acid"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:124939	DB12146	.	.	451.5	11	C21H25NO8S	129	678	2.5	31	2	9	COC1=C(C=C(C=C1)CS(=O)(=O)/C=C/C2=C(C=C(C=C2OC)OC)OC)NCC(=O)O	"InChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)/b8-7+"	OWBFCJROIKNMGD-BQYQJAHWSA-N
DG01498	SU11274	9549297	"SU11274; 658084-23-2; Met Kinase Inhibitor; SU-11274; SU 11274; PKI-SU11274; SU-MI-2; CHEMBL261641; (3Z)-N-(3-Chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-2-yl}methylene)-N-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide; MFCD08276928; (Z)-N-(3-chlorophenyl)-3-((3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl)methylene)-N-methyl-2-oxoindoline-5-sulfonamide; (3Z)-N-(3-Chlorophenyl)-3-((3,5-dimethyl-4-((4-methylpiperazin-1-yl)carbonyl)-1H-pyrrol-2-yl)methylene)-N-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide; (3Z)-N-(3-Chlorophenyl)-3-[[3,5-dimethyl-4-[(4-methyl-1-piperazinyl)carbonyl]-1H-pyrrol-2-yl]methylene]-2,3-dihydro-N-methyl-2-oxo-1H-indole-5-sulfonamide; (3z)-N-(3-Chlorophenyl)-3-({3,5-Dimethyl-4-[(4-Methylpiperazin-1-Yl)carbonyl]-1h-Pyrrol-2-Yl}methylene)-N-Methyl-2-Oxoindoline-5-Sulfonamide; (3Z)-N-(3-chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-2-yl}methylidene)-N-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide; (Z)-N-(3-chlorophenyl)-3-((3,5-dimethyl-4-(1-methylpiperazine-4-carbonyl)-1H-pyrrol-2-yl)methylene)-N-methyl-2-oxoindoline-5-sulfonamide; (3Z)-N-(3-chlorophenyl)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide; C28H30ClN5O4S; SCHEMBL93711; SCHEMBL93713; MLS006010961; GTPL5057; AOB6383; DTXSID20429552; EX-A183; CHEBI:190974; BCPP000061; HMS3229G21; K00593a; BDBM50341636; NSC747693; s1080; ZINC16052811; AKOS015994564; CCG-206768; ES-0032; EX-5962; NSC-747693; QC-2155; NCGC00165902-01; NCGC00165902-04; AC-28396; SMR004702765; SU-011274; SU11274 (PKI-SU11274); SU 11274, >=98% (HPLC), powder; X7471; EC-000.2357; A15738; Met Kinase Inhibitor - CAS 658084-23-2; J-522999; BRD-K02965346-001-01-8; BRD-K02965346-001-07-5; Q27088888; (3Z)-N-(3-chlorophenyl)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulonamide; 1h-indole-5-sulfonamide, n-(3-chlorophenyl)-3-[[3,5-dimethyl-4-[(4-methyl-1-piperazinyl)carbonyl]-1h-pyrrol-2-yl]methylene]-2,3-dihydro-n-methyl-2-oxo-, (3z)-; N-(3-chlorophenyl)-3-((3,5-dimethyl-4-(1-methylpiperazine-4-carbonyl)-1H-pyrrol-2-yl)methylene)-N-methyl-2-oxoindoline-5-sulfonamide; N-(3-chlorophenyl)-3-((3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl)methylene)-N-methyl-2-oxoindoline-5-sulfonamide; N-(3-Chlorophenyl)-n-methyl-3-[[3,5-dmethyl-4-[(4-methylpperazn-1-yl)carbonyl]-1h-pyrrol-2-yl]methylene]-2-oxo-2,3-dhydro-1h-ndole-5 -sulfonamde"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	568.1	5	C28H30ClN5O4S	114	1070	3.1	39	2	6	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	"InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16-"	FPYJSJDOHRDAMT-KQWNVCNZSA-N
DG01499	AV-412	9806229	"451492-95-8; AV-412 free base; AV-412; AV-412 (free base); UNII-41OXH4FE7B; MP-412; AV412; N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methylpiperazin-1-yl)but-1-yn-1-yl)quinazolin-6-yl)acrylamide; N-[4-(3-chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide; 41OXH4FE7B; CHEMBL2138625; AV-412(MP-412); C27H28ClFN6O; 2-Propenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-; N-(4-(3-chloro-4-fluorophenylamino)-7-(3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl)quinazolin-6-yl)acrylamide; 2-Propenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl)-6-quinazolinyl)-; 2-propenamide,n-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl)-6-quinazolinyl)-; 2-Propenamide,N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-; MP-412 free base; SCHEMBL1818495; AV-412 free base;MP-412; DTXSID10196403; EX-A755; SYN1012; BCPP000375; HMS3244M15; HMS3244M16; HMS3244N15; BCP01955; 3459AH; BDBM50468245; HY-10346A; MFCD16038939; NSC799340; ZINC22453472; AKOS027251058; BCP9000342; NSC-799340; NCGC00263195-01; NCGC00263195-04; AS-16187; B3236; FT-0700308; A872418; J-523023; Q27258451; N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-2-propenamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	DB06021	.	.	507	7	C27H28ClFN6O	73.4	850	4.5	36	2	7	CC(C)(C#CC1=CC2=C(C=C1NC(=O)C=C)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C	"InChI=1S/C27H28ClFN6O/c1-5-25(36)33-23-16-20-24(30-17-31-26(20)32-19-6-7-22(29)21(28)15-19)14-18(23)8-9-27(2,3)35-12-10-34(4)11-13-35/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32)"	ZAJXXUDARPGGOC-UHFFFAOYSA-N
DG01500	AS602868	9820526	"219773-55-4; SPC-839; CHEMBL129857; SPC 839; UNII-Y1FZ8P93E0; Y1FZ8P93E0; AS-602868; 1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)-3-methyl-pyrrole-2,5-dione; 1-(5-methoxy-2-(thiophen-2-yl)quinazolin-4-ylamino)-3-methyl-1H-pyrrole-2,5-dione; 1H-Pyrrole-2,5-dione,1-[[5-methoxy-2-(2-thienyl)-4-quinazolinyl]amino]-3-methyl-; AS602868; SCHEMBL7859927; DTXSID00431335; ZINC1489583; BDBM50135482; NCGC00161703-01; NCGC00161703-02; NCGC00161703-03; A4715; CU-00000000266-1; 1-((5-Methoxy-2-(2-thienyl)-4-quinazolinyl)amino)-3-methyl-1H-pyrrole-2,5-dione; 1-((5-Methoxy-2-(thiophen-2-yl)quinazolin-4-yl)amino)-3-methyl-1H-pyrrole-2,5-dione; 1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrole-2,5-dione; 1H-Pyrrole-2,5-dione, 1-((5-methoxy-2-(2-thienyl)-4-quinazolinyl)amino)-3-methyl-"	Discontinued in Phase 1	13	Discontinued Drug(s)	Discontinued in Phase 1	Small molecular drug	.	.	.	.	.	366.4	4	C18H14N4O3S	113	613	3	26	1	7	CC1=CC(=O)N(C1=O)NC2=NC(=NC3=C2C(=CC=C3)OC)C4=CC=CS4	"InChI=1S/C18H14N4O3S/c1-10-9-14(23)22(18(10)24)21-17-15-11(5-3-6-12(15)25-2)19-16(20-17)13-7-4-8-26-13/h3-9H,1-2H3,(H,19,20,21)"	GZGLPBNOIFLLRE-UHFFFAOYSA-N
DG01501	Tofacitinib	9926791	"Tofacitinib; Tasocitinib; 477600-75-2; 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile; CP-690550; CP 690550; 1259404-17-5; rac-Tofacitinib; CP-690,550; UNII-87LA6FU830; Tofacitinib (CP-690550,Tasocitinib); 3-((3R,4R)-rel-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile; racemic-tofacitinib; 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile; CP690550; CHEMBL221959; CHEBI:71200; 87LA6FU830; 477600-75-2 (free base); MFCD11035919; 3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile; 3-[(3R*,4R*)-4-Methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile; 3-[(3R,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile; 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile; 3-{(3R,4R)-4-Methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino]-piperidin-1-yl}-3-oxo-propionitrile; Tofacitinib [USAN:INN]; C16H20N6O; tofacitinibum; 3eyg; 3fup; 3lxk; 4oti; MI1; Tofacitinib (USAN); Cp-690 free base; 1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-beta-oxo-, (3R,4R)-; SCHEMBL322753; Tofacitinib (CP-690550); GTPL5677; QCR-53; HSDB 8311; AMY3992; DTXSID90197271; EX-A205; BCPP000274; CP-690550 FREE BASE; AOB87470; ZINC3818808; CP-690,550 FREE BASE; BDBM50193995; CP-690; NSC782351; NSC800953; s2789; AKOS005145814; AKOS005258733; AC-8193; BCP9000550; CA10005; CCG-264998; CS-0050; DB08895; GS-6106; NSC-782351; NSC-800953; NCGC00229511-02; NCGC00229511-04; NCGC00229511-10; NCGC00244463-01; Tofacitinib (CP-690550, Tasocitinib); HY-40354; CP690,550; CP-690-550; W6440; CP- 690 550; D09970; AB01565786_02; 600M752; AR-270/43507983; J-524314; Q3530324; BRD-K31283835-001-01-9; BRD-K31283835-048-04-4; 3-((3R,4R)-4-Methyl(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yi)Amino)Piperidin-1-Yl-3-Oxopropaneni; (3R,4R)-3-{4-Methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino]-piperidin-1-yl}-3-oxo-propionitrile; (3R,4R)-4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-beta-oxo-1-piperidine propanenitrile; 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-piperidyl]-3-oxo-propanenitrile; 3-{(3R,4R)-4-methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino]piperidin-1-yl}-3-oxo-propionitrile; 3-{(3R,4R)-4-Methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin4-yl)-amino]-piperidin-1-yl}-3-oxo-propionitrile; 3-{4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-piperidinyl}-3-oxopropanenitrile; 3-Piperidinamine, 1-(cyanoacetyl)-4-methyl-N-methyl-N-1H-pyrrolo(2,3-d)pyrimidin-4-yl-, (3R,4R)-; Tofacitinib;3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:71200	DB08895	.	.	312.37	3	C16H20N6O	88.9	488	1.5	23	1	5	C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N	"InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1"	UJLAWZDWDVHWOW-YPMHNXCESA-N
DG01502	Cediranib	9933475	"Cediranib; 288383-20-0; Recentin; AZD2171; Cedirannib; Cediranib (AZD2171); AZD 2171; AZD-2171; 4-((4-Fluoro-2-methyl-1H-indol-5-yl)oxy)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazoline; Cediranib free base; 4-(4-Fluoro-2-methylindol-5-yloxy)-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline; Cediranib (AZD217); UNII-NQU9IPY4K9; NQU9IPY4K9; ZD-2171; AZD-2171 maleate; 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline; 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline; CHEMBL491473; 288383-20-0 (free base); NSC-732208; 4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazoline; C25H27FN4O3; Cediranib (USAN/INN); Cediranib [USAN:INN:BAN]; 4-(4-fluoro-2-methylindol-5-yloxy)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazoline; Cediranib,AZD2171; Kinome_3318; Cediranib dihydrochloride; AZD2171, Cediranib; Cediranib - AZD2171; SCHEMBL63147; MLS006010063; GTPL5664; QCR-93; CHEBI:94782; AOB1949; DTXSID10183035; BCPP000295; HMS3654G05; HMS3674G17; HMS3744O21; AMY16021; BCP01378; EX-A2039; ZINC3948085; BDBM50331096; MFCD09954115; NSC755606; NSC800069; s1017; AKOS005145767; BCP9000500; CCG-264679; CS-0119; DB04849; ES-0052; NSC-755606; NSC-800069; SB16536; ZD 2171; NCGC00263097-01; NCGC00263097-09; AC-25033; HY-10205; Quinazoline,4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-; SMR004701223; FT-0751000; SW219261-1; X2636; EC-000.2328; A24280; D08881; Q-101399; Q5057052; BRD-K86930074-001-01-9; 4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxy-7-(3-pyrrolidin-1-yl-propoxy)-quinazoline; AV3; Quinazoline, 4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-6-methoxy-7-(3-(1-pyrrolidinyl)propoxy)-"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:94782	DB04849	DR1886	.	450.5	8	C25H27FN4O3	72.5	625	4.9	33	1	7	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	"InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3"	XXJWYDDUDKYVKI-UHFFFAOYSA-N
DG01503	TAE226	9934347	"761437-28-9; NVP-TAE 226; NVP-TAE226; TAE226; 2-((5-Chloro-2-((2-methoxy-4-morpholinophenyl)amino)pyrimidin-4-yl)amino)-N-methylbenzamide; TAE226 (NVP-TAE226); 2-({5-Chloro-2-[(2-Methoxy-4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl}amino)-N-Methylbenzamide; CHEMBL458997; TAE-226; CTx0152960; 1042432-58-5; 2-((5-CHLORO-2-((2-METHOXY-4-MORPHOLINOPHENYL)-AMINO)PYRIMIDIN-4-YL)AMINO)-N-METHYLBENZAMIDE; CTx-0152960;CTx 0152960; C23H25ClN6O3; 2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide; 2jkk; 2-[[5-chloro-2-[(2-methoxy-4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]amino]-N-methylbenzamide; BI9; Kinome_1212; NVP TAE226; NVPTAE 226; MLS006011059; SCHEMBL375524; GTPL9382; CHEBI:91452; DTXSID90433025; EX-A716; TAE 226; HMS3656L12; HMS3672E03; HMS3747C09; AOB87333; BCP06482; 1836AC; BDBM50334594; MFCD12031516; NSC787252; s2820; ZINC20148986; AKOS016004135; CCG-269438; CS-0594; DB07460; NSC-787252; SB19397; 2-({5-Chloro-2-[2-methoxy-4-(morpholin-4-yl)anilino]pyrimidin-4-yl}amino)-N-methylbenzamide; NCGC00346931-01; NCGC00346931-05; 2-[5-chloro-2-(2-methoxy-4-morpholin-4-yl-phenylamino)-pyrimidin-4-ylamino]-N-methyl-benzamide; AC-27408; AS-56281; HY-13203; SMR004702851; FT-0700360; SW219314-1; NVP-TAE 226,CAS:761437-28-9; A865545; J-690348; Q27096680; 2-({5-Chloro-2-[2-methoxy-4-(4-morpholinyl)anilino]-4-pyrimidinyl}amino)-N-methylbenzamide; 2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)pyrimidin-4-ylamino)-N-methylbenzamide; 2-[5-chloro-2-[2-methoxy-4-(4-morpholinyl)phenylamino]pyrimidin-4-ylamino]-N-methylbenzamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	468.9	7	C23H25ClN6O3	101	625	4.1	33	3	8	CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCOCC4)OC	"InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)"	UYJNQQDJUOUFQJ-UHFFFAOYSA-N
DG01504	CP-31398	9950868	"UNII-IN3WH41H3A; 259199-65-0; CP-31398; IN3WH41H3A; N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine; 1,3-Propanediamine, N3-[2-[2-(4-methoxyphenyl)ethenyl]-4-quinazolinyl]-N1,N1-dimethyl-; CP-31,398; CHEMBL186928; SCHEMBL13158851; SCHEMBL17890250; BDBM389561; ZINC3933040; US9951029, 12; Q27280804; N''-{2-[(E)-2-(4- methoxyphenyl)vinyl]quinazolin-4- yl}-N,N-dimethylpropane-1,3- diamine"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	362.5	8	C22H26N4O	50.3	448	4.5	27	1	5	CN(C)CCCNC1=NC(=NC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)OC	"InChI=1S/C22H26N4O/c1-26(2)16-6-15-23-22-19-7-4-5-8-20(19)24-21(25-22)14-11-17-9-12-18(27-3)13-10-17/h4-5,7-14H,6,15-16H2,1-3H3,(H,23,24,25)/b14-11+"	NIHSNFSFDGHHRG-SDNWHVSQSA-N
DG01505	Selumetinib	10127622	"Selumetinib; 606143-52-6; AZD6244; AZD 6244; ARRY-142886; 5-[(4-BROMO-2-CHLOROPHENYL)AMINO]-4-FLUORO-N-(2-HYDROXYETHOXY)-1-METHYL-1H-BENZIMIDAZOLE-6-CARBOXAMIDE; AZD-6244; Selumetinib (AZD6244); ARRY 142886; AZD6244 (Selumetinib); ARRY-886; UNII-6UH91I579U; 5-((4-bromo-2-chlorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzo[d]imidazole-6-carboxamide; 5-(4-broMo-2-chlorophenylaMino)-4-fluoro-N-(2-hydroxyethoxy)-1-Methyl-1H-benzo[d]iMidazole-6-carboxaMide; CHEMBL1614701; CHEBI:90227; 6UH91I579U; NCGC00189073-01; NCGC00189073-02; C17H15BrClFN4O3; 6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide; DSSTox_CID_28870; DSSTox_RID_83139; DSSTox_GSID_48944; 1H-Benzimidazole-6-carboxamide, 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-; 6-[(4-bromo-2-chlorophenyl)amino]-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide; AZD 6244;5-((4-Bromo-2-chlorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzo[d]imidazole-6-carboxamide;6-(4-bromo-2-chlorophenylamino)-7-fluoro-N-(2-hydroxyethoxy)-3-methyl-3H-benzo[d]imidazole-5-carboxamide; CAS-606143-52-6; ARRY142886; Selumetinib [USAN:INN]; selumetinibum; Koselugo; 1H-Benzimidazole-6-carboxamide, 5-((4-bromo-2-chlorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-; 3EW; Selumetinib (USAN/INN); AZD6244 - Selumetinib; AZD 6244 (Selumetinib); SCHEMBL155456; GTPL5665; QCR-91; Selumetinib, ARRY-142886; DTXSID3048944; EX-A020; SYN1016; BCPP000367; HMS3244G03; HMS3244G04; HMS3244H03; HMS3265K01; HMS3265K02; HMS3265L01; HMS3265L02; HMS3654O03; NSC 741O78; AOB87732; BCP01739; Tox21_113362; BDBM50355497; MFCD11977472; NSC741078; NSC800882; s1008; ZINC31773258; AKOS015904255; Tox21_113362_1; BCP9000354; CCG-264774; CS-0059; DB11689; EX-8621; NSC-741078; NSC-800882; SB14707; NCGC00189073-07; AC-25059; AM808016; AZD6244,Selumetinib, ARRY-142886; BC004624; HY-50706; Selumetinib (ARRY142886/AZD6244); AZD6244 (Selumetinib,ARRY-142886); FT-0674552; SW202561-3; X2640; D09666; 143A526; Q-101405; Q7448840; BRD-K57080016-001-01-9; 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-1,3-benzodiazole-6-carboxamide; 6-(4-bromo-2-chloro-phenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-hydroxy -ethoxy)-amide; 6-(4-Bromo-2-chloro-phenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-hydroxy-ethoxy)-amide; 6-(4-bromo-2-chloro-phenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid(2-hydroxy-ethoxy)-amide; 6-(4-bromo-2-chlorophenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-hydroxyethoxy)-amide; 6-(4-bromo-2-chlorophenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid(2-hydroxyethoxy)-amide; 6-(4-bromo-2chloro-phenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-hydroxy-ethoxy)-amide"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:90227	DB11689	.	.	457.7	6	C17H15BrClFN4O3	88.4	523	3.6	27	3	6	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	"InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)"	CYOHGALHFOKKQC-UHFFFAOYSA-N
DG01506	E6201	10172827	"E6201; UNII-CZP9GB25HO; E-6201; CZP9GB25HO; E 6201; 603987-35-5; ER-806201; (3S,4R,5Z,8S,9S,11E)-14-(ethylamino)-8,9,16-trihydroxy-3,4-dimethyl-3,4,9,10-tetrahydro-1H-benzo[c][1]oxacyclotetradecine-1,7(8H)-dione; (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione; GTPL7836; SCHEMBL6983345; CHEMBL1097999; BDBM50515043; ZINC34374629; DB11687; (3S,4R,5Z,8S,9S,11E)-14-(Ethylamino)-8, 9,16-trihydroxy-3,4-dimethyl-3,4,9,19-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione; HY-15496; CS-0006796; J-504641; Q27077143; (4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione; (4S,5R,6Z,9S,10S,12E)-16-ethylamino-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione; 1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 14-(ethylamino)-3,4,9,10-tetrahydro-8,9,16-trihydroxy-3,4-dimethyl-, (3S,4R,5Z,8S,9S,11E)-; 1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 14-(ethylamino)-3,4,9,10-tetrahydro-8,9,16-trihydroxy-3,4-dimethyl-, (3S,4R,5Z,8S,9S,11E) -"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	.	.	.	389.4	2	C21H27NO6	116	604	3.3	28	4	7	CCNC1=CC\\2=C(C(=C1)O)C(=O)O[C@H]([C@@H](/C=C\\C(=O)[C@H]([C@H](C/C=C2)O)O)C)C	"InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3/b6-5+,9-8-/t12-,13+,16+,20+/m1/s1"	MWUFVYLAWAXDHQ-HMNLTAHHSA-N
DG01507	Binimetinib	10288191	"Binimetinib; 606143-89-9; MEK162; ARRY-162; ARRY-438162; MEK-162; Mektovi; 5-[(4-Bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide; ARRY 162; Binimetinib (MEK-162); ARRY 438162; UNII-181R97MR71; MEK162 (ARRY-162, ARRY-438162); NVP-MEK162; MFCD22124525; Binimetinib (MEK162, ARRY-162, ARRY-438162); 181R97MR71; 6-(4-bromo-2-fluoroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide; 5-((4-bromo-2-fluorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzo[d]imidazole-6-carboxamide; 5-((4-bromo-2-fluorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzo[d]imidazole-6-carboxamide.; 5-(4-Bromo-2-fluoroanilino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide; Binimetinib [USAN:INN]; binimetinibum; Mektovi (TN); ARRY-162; ARRY-438162; MEK 162; ARRY 162; ARRY 438162; Binimetinib; Mek162; Mek162, Binimetinib; MEK162(Binimetinib); Binimetinib (MEK162); Binimetinib (JAN/USAN); MLS006011180; C17H15BrF2N4O3; SCHEMBL570088; GTPL7921; CHEMBL3187723; MEK162 (Arry-162); AMY9056; AOB2072; DTXSID70209422; QCR-138; ARRY-162,MEK-162; CHEBI:145371; BDBM520649; HMS3652J14; HMS3747G09; BCP06780; EX-A1024; NSC764042; NSC788187; NSC799361; s7007; ZINC38460704; AKOS026750517; CCG-269133; CS-0627; DB11967; NSC-764042; NSC-788187; NSC-799361; SB16501; NCGC00345804-01; NCGC00345804-10; 1073666-70-2; 5-[(4-Bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methylbenzimidazole-6-carboxamide; 6-(4-bromo-2-fluorophenylamino)-7-fluoro-N-(2-hydroxyethoxy)-3-methyl-3H-benzo[d]imidazole-5-carboxamide; AC-29023; AS-16706; DA-35030; HY-15202; SMR004702949; SY284756; cas:606143-89-9;MEK162; FT-0697088; SW219910-1; Y1468; D10604; Binimetinib;MEK-162; ARRY-162;ARRY-438162; J-516581; Q19903515; US11147816, Binimetinib (ARRY-162, ARRY-438162); 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-1,3-benzodiazole-6-carboxamide; 5-[(4-Bromo-2-Fluorophenyl)Amino]-4-Fluoro-N-(2-Hydroxyethoxy)-1-Methyl-1H-Benzimidazole-6-Carboxami; 6-(4-bromo-2-fluorophenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-hydroxyethyoxy)-amide; 6-[(4-bromo-2-fluorophenyl)amino]-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide; N-(2-hydroxyethoxy)-4-fluoro-5-(2-fluoro-4-bromophenylamino)-1-methyl-1H-benzoimidazole-6-carboxamide; QO7"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:145371	DB11967	DR0214	DR01336	441.2	6	C17H15BrF2N4O3	88.4	521	3.1	27	3	7	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)F)C(=O)NOCCO	"InChI=1S/C17H15BrF2N4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)"	ACWZRVQXLIRSDF-UHFFFAOYSA-N
DG01508	Sotrastaurin	10296883	"Sotrastaurin; 425637-18-9; AEB071; Sotrastaurin (AEB071); AEB-071; 3-(1H-Indol-3-yl)-4-(2-(4-methylpiperazin-1-yl)quinazolin-4-yl)-1H-pyrrole-2,5-dione; UNII-7I279E1NZ8; 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione; NVP-AEB071; CHEBI:90531; 7I279E1NZ8; AEB 071; 3-(1h-Indol-3-Yl)-4-[2-(4-Methylpiperazin-1-Yl)quinazolin-4-Yl]-1h-Pyrrole-2,5-Dione; Sotrastaurin [USAN:INN]; sotrastaurina; sotrastaurine; sotrastaurinum; Kinome_2717; Sotrastaurin (USAN/INN); NVP-AEB-071; CHEMBL565612; GTPL7946; SCHEMBL2500835; BDBM33971; DTXSID70915192; HMS3656D10; HMS3673M05; HMS3744G03; AMY10736; AOB87472; BCP07456; EX-A2802; ZINC3973984; NSC766819; NSC800935; s2791; CCG-264999; CS-0090; DB12369; NSC-766819; NSC-800935; SB16638; NCGC00238621-01; NCGC00238621-09; AC-32050; AS-56373; HY-10343; SW220235-1; Y6229; D09671; L10095; A857807; Q26331952; 1H-Pyrrole-2,5-dione, 3-(1H-indol-3-yl)-4-(2-(4-methyl-1-piperazinyl)-4-quinazolinyl)-; 3-(1H-indol-3-yl)-4-[2-(4-methyl-piperazin-1-yl)-quinazolin-4-yl]-pyrrole-2,5-dione; 1058706-31-2; 5-Hydroxy-4-(1H-indol-3-yl)-3-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-2H-pyrrol-2-one; 949935-06-2; LW4"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	DB12369	.	.	438.5	3	C25H22N6O2	94.2	822	2.6	33	2	6	CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65	"InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)"	OAVGBZOFDPFGPJ-UHFFFAOYSA-N
DG01509	AEE-788	10297043	"497839-62-0; AEE788; AEE-788; AEE 788; NVP-AEE788; (R)-6-(4-((4-Ethylpiperazin-1-yl)methyl)phenyl)-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine; AEE788 (NVP-AEE788); UNII-F9JLR95I3I; GNF-Pf-5343; F9JLR95I3I; NVP-AEE-788; 6-{4-[(4-Ethylpiperazin-1-Yl)methyl]phenyl}-N-[(1r)-1-Phenylethyl]-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine; 6-[4-[(4-Ethyl-1-piperazinyl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine; C27H32N6; (R)-6-(4-((4-ethylpiperazin-1-yl)methyl)phenyl)-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.; 7H-Pyrrolo[2,3-d]pyrimidin-4-amine,6-[4-[(4-ethyl-1-piperazinyl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-; 6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine; 7h-pyrrolo[2,3-d]pyrimidin-4-amine,6-(4-((4-ethyl-1-piperazinyl)methyl)phenyl)-n-((1r)-1-phenylethyl)-; AEE; MLS006011277; SCHEMBL613756; CHEMBL587723; GTPL7643; BDBM26105; CHEBI:40629; AEE788; NVP-AEE788; BCPP000427; EX-A2259; MFCD11100351; NSC765949; NSC799325; s1486; ZINC22453679; AEE-788 (NVP-AEE788); AKOS016011091; BCP9000241; CCG-264897; CS-1452; DB12558; NSC-765949; NSC-799325; QC-8215; NCGC00263149-01; 7H-pyrrolo(2,3-d)pyrimidin-4-amine, 6-(4-((4-ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-; AC-32829; AEE788, >=98% (HPLC); AS-55853; HY-10045; SMR004703027; SW219869-1; X7492; J-518187; Q4651286; UNII-F9JLR95I3I component OONFNUWBHFSNBT-HXUWFJFHSA-N; [6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-((r)-1-phenylethyl)amine; 1H-Pyrrolo(2,3-d)pyrimidin-4-amine, 6-(4-((4-ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-; 6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[3,2-e]pyrimidin-4-amine; 6-{4-[(4-ethyl-1-piperazinyl)methyl]phenyl}-N-[(1R)-1-phenylethyl]-1H-pyrrolo[2,3-d]pyrimidin-4-amine; NVP-AEE788; ; ; 6-[4-[(4-Ethylpiperazin-1-yl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine"	Phase 1/2	8	Clinical Trial Drug(s)	Phase 1/2	Small molecular drug	.	.	DB12558	.	.	440.6	7	C27H32N6	60.1	579	4.6	33	2	5	CCN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4N[C@H](C)C5=CC=CC=C5	"InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1"	OONFNUWBHFSNBT-HXUWFJFHSA-N
DG01510	Napabucasin	10331844	"Napabucasin; 83280-65-3; 2-Acetylfuro-1,4-naphthoquinone; BBI608; 2-acetylnaphtho[2,3-b]furan-4,9-dione; 2-acetylbenzo[f][1]benzofuran-4,9-dione; BBI-608; UNII-Z1HHM49K7O; Napabucasin (BBI608); 2-Acetylfuranonaphthoquinone; Z1HHM49K7O; BBI 608; 2-Acetyl-4H,9H-naphtho[2,3-b]furan-4,9-dione; 2-Acetylnaphtho(2,3-b)furan-4,9-dione; Napabucasin [USAN:INN]; FNQ; Napabucasin; BBI608; CHEMBL64130; Napabucasin (JAN/USAN/INN); SCHEMBL1883845; GTPL11358; AMY27812; BCP07628; EX-A1314; BDBM50366597; MFCD28155270; NSC788900; s7977; ZINC13306865; AKOS027470201; CCG-266871; CS-1747; DB12155; NSC-788900; 2-acetyl naphtho2,3-bfuran-4,9-dione; AC-32935; AS-60519; HY-13919; 2-Acetyl-naphtho[2,3-b]furan-4,9-dione; A13474; D10717; F17379; Q27294876"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB12155	.	.	240.21	1	C14H8O4	64.4	414	2.3	18	0	4	CC(=O)C1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O	"InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3"	DPHUWDIXHNQOSY-UHFFFAOYSA-N
DG01511	Crenolanib	10366136	"Crenolanib; 670220-88-9; Crenolanib (CP-868596); CP-868596; ARO-002; UNII-LQF7I567TQ; CP-868,596; Crenolanib [USAN]; CP 868596; ARO 002; 1-(2-(5-((3-Methyloxetan-3-yl)methoxy)-1H-benzo-[d]imidazol-1-yl)quinolin-8-yl)piperidin-4-amine; LQF7I567TQ; CP868569; 1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine; CP-868596 (Crenolanib); Crenolanib (USAN); MFCD21609260; 1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine; 1-[2-[5-[(3-Methyl-3-oxetanyl)methoxy]-1-benzimidazolyl]-8-quinolyl]-4-piperidinamine; 1-(2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinolin-8-yl)piperidin-4-amine.; 1-(2-{5-[(3-methyloxetan-3-yl)methoxy]-1H-1,3-benzodiazol-1-yl}quinolin-8-yl)piperidin-4-amine; CP868596; Crenolanib [USAN:INN]; crenolanibum; 6T2; CP-868569; Crenolanib,CP-868596; [1-[2-[5-(3-Methyloxetan-3-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]amine; MLS006010956; Crenolanib - CP-868569; GTPL7882; SCHEMBL2730601; CHEMBL2105728; DTXSID50985873; EX-A215; CHEBI:145365; BDBM185149; HMS3656F19; AOB87312; BCP02384; ZINC3820043; NSC763526; NSC800079; s2730; AKOS026750597; BCP9000551; CCG-264988; CS-0566; DB11832; NSC-763526; NSC-800079; SB16603; NCGC00346658-01; NCGC00346658-09; 1-(2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinolin-8-yl)piperidin-4-amine; AC-32071; AS-57698; HY-13223; SMR004702760; SY237889; FT-0665221; SW218293-2; X7517; D10102; J-502712; Q5184160; CP-868596;CP 868596;CP868596;ARO 002; 1-[2-[5-[(3-methyl-3-oxetanyl)methoxy]-1H-benzimidazol-1-yl]-8-quinolinyl]-4-piperidinamine; 1-{2-[5-(3-Methyl-oxetan-3-ylmethoxy)-benzoimidazol-1-yl]-quinolin-8-yl}-piperidin-4-ylamine"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:145365	DB11832	.	.	443.5	5	C26H29N5O2	78.4	667	3.7	33	1	6	CC1(COC1)COC2=CC3=C(C=C2)N(C=N3)C4=NC5=C(C=CC=C5N6CCC(CC6)N)C=C4	"InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3"	DYNHJHQFHQTFTP-UHFFFAOYSA-N
DG01512	Spliceostatin A	10673568	"Spliceostatin A; [(Z,2S)-4-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-methoxy-7-methyl-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]carbamoyl]but-3-en-2-yl] acetate; 391611-36-2; CHEMBL1221942; SCHEMBL18134895; BP-28004; Q59780090; (2Z,4S)-N-[(2R,3R,5S,6S)-2,5-Dimethyl-6-[(2E)-3-methyl-5-[(3R,4R,5R,7S)-4-hydroxy-7-methoxy-7-methyl-1,6-dioxaspiro[2.5]octane-5-yl]-2,4-pentadienyl]tetrahydro-2H-pyran-3-yl]-4-acetoxy-2-penteneamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	521.6	10	C28H43NO8	116	916	2.6	37	2	8	C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\\C)/C=C/[C@@H]2[C@H]([C@@]3(C[C@@](O2)(C)OC)CO3)O)C)NC(=O)/C=C\\[C@H](C)OC(=O)C	"InChI=1S/C28H43NO8/c1-17(9-12-24-26(32)28(16-34-28)15-27(6,33-7)37-24)8-11-23-18(2)14-22(20(4)36-23)29-25(31)13-10-19(3)35-21(5)30/h8-10,12-13,18-20,22-24,26,32H,11,14-16H2,1-7H3,(H,29,31)/b12-9+,13-10-,17-8+/t18-,19-,20+,22+,23-,24+,26+,27-,28+/m0/s1"	XKSGIJNRMWHQIQ-CGPJBNNXSA-N
DG01513	Regorafenib	11167602	"Regorafenib; 755037-03-7; BAY 73-4506; Stivarga; 4-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)-3-fluorophenoxy)-N-methylpicolinamide; Regorafenibum; Regorafenib (BAY 73-4506); BAY73-4506; UNII-24T2A1DOYB; 4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide; BAY-73-4506; Regorafenib-13C-d3; 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide; 24T2A1DOYB; CHEMBL1946170; CHEBI:68647; Stivarga (TN); 4-(4-(((4-chloro-3-(trifluoromethyl)phenyl)carbamoyl)amino)-3-fluorophenoxy)-n-methylpyridine-2-carboxamide; Regorafenib [USAN:INN]; Fluoro-Sorafenib; 4-(4-(((4-chloro-3-(trifluoromethyl)phenyl)carbamoyl}amino)-3-fluorophenoxy)-N-methylpyridine-2-carboxamide; Regorafenib (USAN/INN); RegorafenibBAY73-4506; MLS006010303; C21H15ClF4N4O3; Regorafenib crystalline form I; SCHEMBL432230; Regorafenib,BAY 73-4506; GTPL5891; QCR-85; Bay-734506; DTXSID60226441; EX-A058; Regorafenib - BAY 73-4506; SYN1169; BCPP000352; HMS3654K16; HMS3672E15; AOB87754; BCP02105; BKD17855; ZINC6745272; BDBM50363397; MFCD16038047; NSC763932; NSC800865; s1178; AKOS015951107; AM81251; BAY 734506; BCP9000384; CCG-269571; CS-0170; DB08896; NSC-763932; NSC-800865; SB16819; NCGC00263138-01; NCGC00263138-13; NCGC00263138-19; 2-Pyridinecarboxamide,4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-; AC-25075; AC-31116; AS-16304; HY-10331; SMR004701370; FT-0674338; R0142; SW218097-2; cas:835621-07-3;Regorafenib hydrochloride; Regorafenib (BAY73-4506,Fluoro-Sorafenib); A25020; D10138; AB01565826_02; SR-01000941571; Q3891664; SR-01000941571-1; BRD-K16730910-001-02-4; 2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-; 4-[4-({[4-Chloro-3-(trifluoromethy)phenyl]carbamoyl}amino)-3-fluorophenoxy]-1-methylpyridine-2-carboxamide; 4{4-[3-(4-chloro-3-trifluoromethylphenyl)-ureido]-3-fluorophenoxy}-pyridine-2-carboxylic acid methylamide; 835621-08-4; Regorafenib;1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(2-fluoro-4-(2-(methylcarbamoyl)pyridin-4-yloxy)phenyl)urea"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:68647	DB08896	DR1401	DR00136	482.8	5	C21H15ClF4N4O3	92.4	686	4.2	33	3	8	CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F	"InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)"	FNHKPVJBJVTLMP-UHFFFAOYSA-N
DG01514	DEL-22379	11224574	"DEL-22379; 181223-80-3; DEL22379; CHEBI:90905; AMY16577; EX-A1739; AKOS027470285; ZINC137055150; CCG-269173; CS-5355; (Z)-N-(3-((5-methoxy-1H-indol-3-yl)methylene)-2-oxoindolin-5-yl)-3-(piperidin-1-yl)propanamide; CID 11224574; HY-18932; Q21044462; 181222-54-8; N-[2,3-Dihydro-3-[(5-methoxy-1H-indol-3-yl)methylene]-2-oxo-1H-indol-5-yl]-1-piperidinepropanamide; N-{(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylene]-2-oxo-2,3-dihydro-1H-indol-5-yl}-3-(piperidin-1-yl)propanamide; N-{(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylene]-2-oxo-2,3-dihydro-1H-indol-5-yl}-3-(piperidin-1-yl)propionamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	444.5	6	C26H28N4O3	86.5	750	3	33	3	4	COC1=CC2=C(C=C1)NC=C2/C=C\\3/C4=C(C=CC(=C4)NC(=O)CCN5CCCCC5)NC3=O	"InChI=1S/C26H28N4O3/c1-33-19-6-8-23-20(15-19)17(16-27-23)13-22-21-14-18(5-7-24(21)29-26(22)32)28-25(31)9-12-30-10-3-2-4-11-30/h5-8,13-16,27H,2-4,9-12H2,1H3,(H,28,31)(H,29,32)/b22-13-"	INQUULPXCZAKMS-XKZIYDEJSA-N
DG01515	Brivanib	11234052	"Brivanib; 649735-46-6; BMS-540215; Brivanib (BMS-540215); BMS 540215; UNII-DDU33B674I; BMS540215; Brivanib [USAN]; CHEMBL377300; DDU33B674I; (2R)-1-[4-[(4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY]-5-METHYL-PYRROLO[2,1-F][1,2,4]TRIAZIN-6-YL]OXYPROPAN-2-OL; Brivanib (USAN); (R)-1-((4-((4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY)-5-METHYLPYRROLO[2,1-F][1,2,4]TRIAZIN-6-YL)OXY)PROPAN-2-OL; (2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-ol; (R)-1-(4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo(2,1-f)(1,2,4)triazin-6-yloxy)propan-2-ol; (R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-yloxy)propan-2-ol; (R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)propan-2-ol; Brivanib,BMS-540215; Brivanib (BMS540215); MLS006011288; Brivanib - BMS-540215; GTPL5671; QCR-57; SCHEMBL1227589; CHEBI:94562; DTXSID60215294; EX-A011; SYN1134; CHEBI:167686; BCPP000317; 1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxy]-2-propanol; BDBM50184807; MFCD13194684; NSC799368; s1084; ZINC13684256; AKOS015920386; AKOS015949459; BMS 540215;Unii-ddu33B674i; AC-5252; BCP9000449; CCG-268296; CS-0148; DB11958; NSC-799368; NCGC00263160-01; AS-16273; HY-10337; SMR004703038; SW219896-1; X2635; EC-000.2327; A24076; D09589; 735B466; J-500907; BRD-K28428262-001-01-7; Q27075503; (2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol; (r)-1-(4-(4-fluoro-2-methyl-1h-indol-5-yloxy)-5- methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)propan- 2-ol; 2-Propanol, 1-((4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-5-methylpyrrolo(2,1-f)(1,2,4)triazin-6-yl)oxy)-, (2R)-"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:94562	DB11958	.	.	370.4	5	C19H19FN4O3	84.7	515	3	27	2	6	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	"InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1"	WCWUXEGQKLTGDX-LLVKDONJSA-N
DG01516	Sapitinib	11488320	Sapitinib; 848942-61-0; AZD8931; AZD-8931; AZD8931 (Sapitinib); 2-(4-((4-((3-Chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)piperidin-1-yl)-n-methylacetamide; Sapitinib(AZD8931); Sapitinib (AZD-8931); UNII-3499328002; CHEMBL2408045; 2-[4-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)piperidin-1-yl]-N-methylacetamide; 2-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-N-methylacetamide; Sapitinib [INN]; 4-(3-chloro-2-fluoroanilino)-7-methoxy-6-((1-(n-methylcarbamoylmethyl)piperidin-4-yl)oxy)quinazoline; 4-(3-chloro-2-fluoroanilino)-7-methoxy-6-[[1-(N-methylcarbamoylmethyl)piperidin-4-yl]oxy]quinazoline; Sapitinib [WHO-DD]; sapitinibum; AZD 8931; AZD-8931(Sapitinib); Sapitinib (AZD8931); MLS006011283; SCHEMBL202358; GTPL7717; DTXSID50233942; EX-A036; CHEBI:132986; BCPP000365; HMS3655J08; AOB87778; BCP02835; BDBM50437353; MFCD18385011; NSC758005; NSC800876; s2192; ZINC34587071; AKOS025404911; BCP9000357; CCG-264744; CS-3951; DB12183; NSC-758005; NSC-800876; QC-7257; SB16597; NCGC00346573-01; NCGC00346573-05; AC-32815; AS-17066; HY-13050; SMR004703033; FT-0700374; SW219260-1; J-513371; Q27088689; 2-(4-(4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)piperidin-1-yl)-N-methylacetamide; 2-(4-{[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy}piperidin-1-yl)-N-methylacetamide; 2-[4-[4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-N-methylacetamide	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:132986	DB12183	.	.	473.9	7	C23H25ClFN5O3	88.6	641	4	33	2	8	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	"InChI=1S/C23H25ClFN5O3/c1-26-21(31)12-30-8-6-14(7-9-30)33-20-10-15-18(11-19(20)32-2)27-13-28-23(15)29-17-5-3-4-16(24)22(17)25/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,26,31)(H,27,28,29)"	DFJSJLGUIXFDJP-UHFFFAOYSA-N
DG01517	Tivantinib	11494412	"Tivantinib; 905854-02-6; ARQ 197; ARQ-197; ARQ197; (3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione; UNII-PJ4H73IL17; Tivantinib (ARQ 197); PJ4H73IL17; 1000873-98-2; (3R,4R)-3-(5,6-Dihydro-4H-pyrrolo(3,2,1-ij)quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione; 905853-99-8; rel-(3R,4R)-3-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-2,5-pyrrolidinedione; Tivantinib [USAN:INN]; Tivantinib; ARQ197; ARQ 197 (Tivantinib); Tivantinib (ARQ-197); SCHEMBL44944; Tivantinib (JAN/USAN/INN); GTPL7948; CHEMBL2103882; CHEBI:91398; DTXSID60920316; QCR-102; ARQ-197,Tivantinib, ARQ197; ARQ197; ARQ-197;Tivantinib; BCPP000042; AOB87130; BCP02529; EX-A2169; CAS:905854-02-6;Tivantinib; BDBM50146168; NSC758242; NSC800951; s2753; AKOS022182739; ZINC100016063; CCG-268285; DB12200; NSC-758242; NSC-800951; (-)-trans-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione; AC-25009; AS-16991; HY-50686; J3.496.311H; C77073; D10173; E82820; A857990; J-501255; BRD-K33379087-001-01-8; Q17123902; (+/-)-trans-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4(1H-indol-3-yl)pyrrolidine-2,5-dione; (+/-)-trans-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl) pyrrolidine-2,5-dione; (+/-)-trans-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione; (_)-trans-3-(5,6-dihydro-4h-pyrrolo[3,2,1-ij]quinolin-1-yl)-4(1h-indol-3-yl)pyrrolidine-2,5-dione; (3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione; (3R,4R)-3-(2,3-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-6-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione; (3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-pyrrolidine-2,5-dione; (3R,4R)-3-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1-yl)-4-(1H-indole-3-yl)pyrrolidine-2,5-dione; 2,5-Pyrrolidinedione, 3-(5,6-dihydro-4H-pyrrolo(3,2,1-ij)quinolin-1-yl)-4-(1H-indol-3-yl)-, (3R,4R)-; 2,5-Pyrrolidinedione,3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-,(3R,4R)-rel-; 3-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-5-hydroxy-4-(1H-indol-3-yl)-3,4-dihydro-2H-pyrrol-2-one; TIV; trans 3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-pyrrolidine-2,5-dione"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:91398	DB12200	.	.	369.4	2	C23H19N3O2	66.9	666	2.9	28	2	2	C1CC2=C3C(=CC=C2)C(=CN3C1)[C@H]4[C@@H](C(=O)NC4=O)C5=CNC6=CC=CC=C65	"InChI=1S/C23H19N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28)/t19-,20-/m0/s1"	UCEQXRCJXIVODC-PMACEKPBSA-N
DG01518	RO4927350	11526671	"876755-27-0; RO4927350; Ro 4927350; (2S,3S)-2-((R)-4-(4-(2-hydroxyethoxy)phenyl)-2,5-dioxoimidazolidin-1-yl)-3-phenyl-N-(4-propionylthiazol-2-yl)butanamide.; SCHEMBL1204725; CHEMBL2396994; CHEBI:132984; ZINC43203214; RO-4927350; (2S,3S)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide; (2S,3S)-2-{(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl}-3-phenyl-N-(4-propionyl-1,3-thiazol-2-yl)butanamide; (2s,3s)-2-{(r)-4-[4-(2-hydroxy-ethoxy)-phenyl]-2,5-dioxo-imidazolidin-1-yl}-3-phenyl-n-(4-propionyl-thiazol-2-yl)-butyramide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	536.6	11	C27H28N4O6S	166	861	3.2	38	3	8	CCC(=O)C1=CSC(=N1)NC(=O)[C@H]([C@@H](C)C2=CC=CC=C2)N3C(=O)[C@H](NC3=O)C4=CC=C(C=C4)OCCO	"InChI=1S/C27H28N4O6S/c1-3-21(33)20-15-38-26(28-20)30-24(34)23(16(2)17-7-5-4-6-8-17)31-25(35)22(29-27(31)36)18-9-11-19(12-10-18)37-14-13-32/h4-12,15-16,22-23,32H,3,13-14H2,1-2H3,(H,29,36)(H,28,30,34)/t16-,22+,23-/m0/s1"	RKKBPPTYPGTSEA-FNVCAUGXSA-N
DG01519	RO4987655	11548630	"RO4987655; 874101-00-5; RO-4987655; CH4987655; CH-4987655; UNII-I3733P75ML; 3,4-Difluoro-2-[(2-Fluoro-4-Iodophenyl)amino]-N-(2-Hydroxyethoxy)-5-[(3-Oxo-1,2-Oxazinan-2-Yl)methyl]benzamide; 3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-hydroxyethoxy)-5-((3-oxomorpholino)methyl)benzamide; CHEMBL1614766; I3733P75ML; RO 4987655; 3,4-Difluoro-2-((2-fluoro-4-iodophenyl)amino)-N-(2-hydroxyethoxy)-5-((3-oxo-1,2-oxazinan-2-yl)methyl)benzamide; C20H19F3IN3O5; 3,4-Difluoro-2-(2-fluoro-4-iodo-anilino)-N-(2-hydroxyethoxy)-5-[(3-oxooxazinan-2-yl)methyl]benzamide; 3orn; GTPL9910; SCHEMBL1562083; SYN1188; BCP12182; EX-A2312; 4014AH; BDBM50338038; NSC762521; NSC800870; RG7167; ZINC43103796; AKOS005266648; DB12933; NSC-762521; NSC-800870; SB16732; r-7167; compound 24 [PMID: 21316218]; NCGC00378595-03; AS-16322; HY-14719; DS-016573; B3261; US8575391, 334; RO4987655; CH-4987655; Q27280303; 3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-5-(3-oxo-[1,2]oxazinan-2-ylmethyl)-benzamide; 3,4-Difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-[(3-oxo-2-oxazinanyl)methyl]benzamide; 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-[(3-oxooxazinan-2-yl)methyl]benzamide; 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxooxazinan-2-yl)methyl]benzamide; 3OR; Benzamide, 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(tetrahydro-3-oxo-2H-1,2-oxazin-2-yl)methyl]-"	Discontinued in Phase 1	13	Discontinued Drug(s)	Discontinued in Phase 1	Small molecular drug	.	.	DB12933	.	.	565.3	8	C20H19F3IN3O5	100	652	3	32	3	9	C1CC(=O)N(OC1)CC2=CC(=C(C(=C2F)F)NC3=C(C=C(C=C3)I)F)C(=O)NOCCO	"InChI=1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30)"	FIMYFEGKMOCQKT-UHFFFAOYSA-N
DG01520	RAF-265	11656518	"RAF265; 927880-90-8; CHIR-265; RAF 265; RAF-265; RAF265(CHIR-265); CHIR 265; RAF265 (CHIR-265); 1-Methyl-5-[[2-[5-(trifluoromethyl)-1h-imidazol-2-yl]-4-pyridinyl]oxy]-n-[4-(trifluoromethyl)phenyl]-1h-benzimidazol-2-amine; 1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine; CHIR265; UNII-8O434L3768; RAF-265 (CHIR-265); 8O434L3768; 1-Methyl-5-({2-[5-(Trifluoromethyl)-1h-Imidazol-2-Yl]pyridin-4-Yl}oxy)-N-[4-(Trifluoromethyl)phenyl]-1h-Benzimidazol-2-Amine; 1-methyl-5-(2-(5-(trifluoromethyl)-1H-imidazol-2-yl)pyridin-4-yloxy)-N-(4-(trifluoromethyl)phenyl)-1H-benzo[d]imidazol-2-amine; 1-Methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]-oxy]-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine; NVP-RAF265; SCHEMBL686452; CHEMBL558752; GTPL5674; BDBM31088; C24H16F6N6O; CHEBI:91451; EX-A072; cid_11656518; HMS3655B06; HMS3672I21; AMY24172; AOB87162; RAF265 - CHIR-265; MFCD16659061; NSC754357; NSC800861; s2161; ZINC18710085; CHIR 265 (RAF 265); AKOS025117575; CCG-264703; CS-0232; DB05984; EX-8671; NSC-754357; NSC-800861; SB16578; NCGC00250407-01; NCGC00250407-04; 1-methyl-5-((2-(5-(trifluoromethyl)-1H-imidazol-2-yl)pyridin-4-yl)oxy)-N-(4-(trifluoromethyl)phenyl)-1H-benzo[d]imidazol-2-amine; AC-30291; AS-56738; HY-10248; QC-11760; FT-0746327; SW219923-1; X7407; A25488; J-504965; Q27075961; [1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridyl]oxy]benzimidazol-2-yl]-[4-(trifluoromethyl)phenyl]amine; {1-Methyl-5-[2-(5-trifluoromethyl-1H-imidazol-2-yl)-pyridin-4-yloxy]-1H-benzo-imidazol-2-yl}-(4-trifluoromethyl-phenyl)-amine; {1-Methyl-5-[2-(5-trifluoromethyl-1H-imidazol-2-yl)-pyridin-4-yloxy]-1H-benzoimidazol-2-yl}-(4-trifluoromethyl-phenyl)-amine; 1-methyl-5-({2-[4-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy)-N-[4-(trifluoromethyl)phenyl]-1H-1,3-benzodiazol-2-amine; 1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-2-benzimidazolamine; 1-methyl-5-[2-(5-trifluoromethyl-1H-imidazol-2-yl)pyridin-4-yloxy]-N-(4-trifluoromethylphenyl)-1H-benzo[d]imidazol-2-amine; 1H-Benzimidazol-2-amine, 1-methyl-5-((2-(5-(trifluoromethyl)-1H-imidazol-2-yl)-4-pyridinyl)oxy)-N-(4-(trifluoromethyl)phenyl)-; 1H-Benzimidazol-2-amine, 1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]; 55J; CHIR-265;1-methyl-5-(2-(5-(trifluoromethyl)-1H-imidazol-2-yl)pyridin-4-yloxy)-N-(4-(trifluoromethyl)phenyl)-1H-benzo[d]imidazol-2-amine"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:91451	DB05984	.	.	518.4	5	C24H16F6N6O	80.6	763	5.4	37	2	11	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	"InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)"	YABJJWZLRMPFSI-UHFFFAOYSA-N
DG01521	Motesanib	11667893	"Motesanib; 453562-69-1; AMG 706; AMG-706; N-(3,3-dimethylindolin-6-yl)-2-(pyridin-4-ylmethylamino)nicotinamide; AMG706; UNII-U1JK633AYI; N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide; N-(2,3-Dihydro-3,3-dimethyl-1H-indol-6-yl)-2-[(4-pyridinylmethyl)amino]-3-pyridinecarboxamide; U1JK633AYI; CHEBI:51098; 453562-69-1 (free base); N-(2,3-dihydro-3,3-dimethyl-1H-indol-6-yl)-2-((4-pyridinylmethyl)amino)-3-pyridinecarboxamide; N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide; C22H23N5O; N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4- ylmethyl)amino]pyridine-3-carboxamide; Motesanib [USAN:INN]; N-(3,3-Dimethyl-2,3-dihydro-1H-indol-6-yl)-2-((pyridin-4-ylmethyl)amino)pyridine-3-carboxamide; Motesanib (USAN); AMG706/ Motesanib; Motesanib (AMG-706); SCHEMBL187470; CHEMBL572881; GTPL5660; QCR-80; BDBM24773; DTXSID10196488; EX-A487; SYN1055; cid_11667893; BCPP000407; HMS3244A09; HMS3244A10; HMS3244B09; HMS3265G19; HMS3265G20; HMS3265H19; HMS3265H20; AOB87176; BCP01982; AMG 706; AMG-706; MFCD10567689; NSC760843; NSC800801; s5793; ZINC18710082; AKOS005146333; N-(3,3-dimethylindolin-6-yl)-2-((pyridin-4-ylmethyl)amino)nicotinamide; BCP9000289; DB05575; EX-8571; NSC-760843; NSC-800801; SB14621; NCGC00263205-01; NCGC00263205-06; AC-32664; AS-16212; HY-10228; FT-0706483; X4931; A19395; D06678; 562M691; J-522983; Q6917202; BRD-K99616396-316-01-2; N-(3,3-dimethylindolin-6-yl)-2-(4-pyridylmethylamino)nicotinamide; N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)-3-pyridinecarboxamide; 3-Pyridinecarboxamide, N-(2,3-dihydro-3,3-dimethyl-1H-indol-6-yl)-2-((4-pyridinylmethyl)amino)-"	Discontinued in Phase 3	11	Discontinued Drug(s)	Discontinued in Phase 3	Small molecular drug	.	CHEBI:51098	DB05575	.	.	373.5	5	C22H23N5O	78.9	533	3.9	28	3	5	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	"InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)"	RAHBGWKEPAQNFF-UHFFFAOYSA-N
DG01522	AZ628	11676786	"878739-06-1; AZ 628; AZ-628; AZ628; 3-(2-Cyanopropan-2-yl)-N-(4-methyl-3-((3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino)phenyl)benzamide; AZD628; UNII-560S6B5D79; 3-(2-cyanopropan-2-yl)-N-(4-methyl-3-(3-methyl-4-oxo-3,4-dihydroquinazolin-6-ylamino)phenyl)benzamide; 3-(1-Cyano-1-methylethyl)-N-[3-[(3,4-dihydro-3-methyl-4-oxo-6-quinazolinyl)amino]-4-methylphenyl]benzamide; 3-(Cyano-dimethyl-methyl)-N-[4-methyl-3-(3-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylamino)-phenyl]-benzamide; CHEMBL2144069; 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide; 560S6B5D79; C27H25N5O2; 3-(2-Cyanopropan-2-Yl)-N-{4-Methyl-3-[(3-Methyl-4-Oxo-3,4-Dihydroquinazolin-6-Yl)amino]phenyl}benzamide; B1E; MLS006010314; GTPL8475; SCHEMBL4209241; CHEBI:91354; DTXSID70236677; EX-A302; QCR-186; HMS3265I11; HMS3265I12; HMS3265J11; HMS3265J12; HMS3656F21; HMS3743G19; BCP02117; BDBM50430022; MFCD17392577; NSC782007; s2746; ZINC38226503; AKOS016011304; BCP9000346; CCG-264992; CS-0091; NSC-782007; SB19421; NCGC00250380-01; NCGC00250380-03; NCGC00250380-10; AC-26863; Benzamide, 3-(1-cyano-1-methylethyl)-N-(3-((3,4-dihydro-3-methyl-4-oxo-6-quinazolinyl)amino)-4-methylphenyl)-; BS-42436; HY-11004; SMR004701380; FT-0700393; SW219448-1; Y0332; J-510421; BRD-K05804044-001-01-1; Q27074677; 3-(1-Cyano-1-methylethyl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:91354	.	.	.	451.5	5	C27H25N5O2	97.6	845	4.2	34	2	5	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	"InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33)"	ZGBGPEDJXCYQPH-UHFFFAOYSA-N
DG01523	GDC0879	11717001	"GDC-0879; 905281-76-7; (E)-5-(1-(2-hydroxyethyl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime; CHEBI:83405; GDC0879; UNII-E488J6BA6E; (E)-5-(1-(2-hydroxyethyl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,3-dihydroinden-1-one oxime; CHEMBL525191; E488J6BA6E; GDC 0879; 2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethanol; 2,3-dihydro-5-(1-(2-hydroxyethyl)-3-(4-pyridinyl)-1h-pyrazol-4-yl)-1h-inden-1-one oxime; 2,3-Dihydro-5-[1-(2-hydroxyethyl)-3-(4-pyridinyl)-1H-pyrazol-4-yl]-1H-inden-1-one oxime; 2-{4-[(1e)-1-(Hydroxyimino)-2,3-Dihydro-1h-Inden-5-Yl]-3-(Pyridin-4-Yl)-1h-Pyrazol-1-Yl}ethanol; SCHEMBL2467603; DTXSID00471110; BCPP000222; AMY20724; EX-A2357; GDC-0879,GDC0879; BDBM50029085; s1104; ZINC34640412; AKOS015856553; BCP9000714; CCG-264821; CS-0158; NCGC00263179-09; HY-50864; QC-11137; BCP0726000314; DB-000743; GDC-0879, >=98% (HPLC); X7405; EC-000.2334; J-506998; BRD-K67578145-001-01-4; BRD-K67578145-001-12-1; (E)-5-(1-(2-Hydroxyethyl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one; (E)-5-(1-(2-hydroxyethyl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,3-dihydroinden-1-oneoxime; 5-(1-(2-Hydroxyethyl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,3-dihydroinden-1-one oxime; 5-[1-(2-Hydroxy-ethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]-indan-1-one oxime; 1H-Inden-1-one, 2,3-dihydro-5-(1-(2-hydroxyethyl)-3-(4-pyridinyl)-1H-pyrazol-4-yl)-, oxime; 1H-Inden-1-one, 2,3-dihydro-5-(1-(2-hydroxyethyl)-3-(4-pyridinyl)-1H-pyrazol-4-yl)-, oxime, (1E)-; 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-pyridin-4-yl-1H-pyrazol-1-yl}ethanol;(E)-5-(1-(2-hydroxyethyl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,3-dihydroinden-1-one oxime; 2230954-03-5"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	334.4	4	C19H18N4O2	83.5	480	1.7	25	2	5	C1C/C(=N\\O)/C2=C1C=C(C=C2)C3=CN(N=C3C4=CC=NC=C4)CCO	"InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+"	DEZZLWQELQORIU-RELWKKBWSA-N
DG01524	Ulixertinib	11719003	"Ulixertinib; 869886-67-9; VRT752271; BVD-523; Ulixertinib (BVD-523); UNII-16ZDH50O1U; Ulixertinib [INN]; 16ZDH50O1U; CHEMBL3590106; Ulixertinib (INN); 869886-67-9 (free base); VRT-752271; Ulixertinib (BVD-523, VRT752271); (S)-4-(5-chloro-2-(isopropylamino)pyridin-4-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide; (S)-4-(5-chloro-2-(isopropylamino)pyridin-4-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide.; 4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{N}-[(1~{S})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{H}-pyrrole-2-carboxamide; N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyridin-4-yl]-1H-pyrrole-2-carboxamide; BVD-ERK; Ulixertinib (BVD-523,VRT752271); 4-(5-chloro-2-(isopropylamino)pyridin-4-yl)-N-((S)-1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide; BVD523 HCl; BVD-523 HCl; VRT752271 HCl; GTPL9210; SCHEMBL14211742; BCP04232; EX-A1332; BDBM50094465; NSC797771; NSC800959; s7854; ZINC34642570; AKOS025396467; CCG-269049; DB13930; NSC-797771; NSC-800959; NCGC00378692-02; NCGC00378692-05; NCGC00378692-07; 1H-Pyrrole-2-carboxamide, 4-(5-chloro-2-((1-methylethyl)amino)-4-pyridinyl)-N-((1S)-1-(3-chlorophenyl)-2-hydroxyethyl)-; AC-33165; AS-56114; HY-15816; QC-10489; BCP0726000085; D11038; J-690368; Q27089081; 3,5-Dichloro-2-hydroxy-N-(4-methoxy-3-biphenylyl)benzenesulfonamide; 4-[5-Chloro-2-(isopropylamino)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB13930	.	.	433.3	7	C21H22Cl2N4O2	90	539	4.1	29	4	4	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	"InChI=1S/C21H22Cl2N4O2/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t19-/m1/s1"	KSERXGMCDHOLSS-LJQANCHMSA-N
DG01525	IRAK-1 or IRAK-4 inhibitors	11983295	"IRAK-1-4 Inhibitor I; 509093-47-4; IRAK-1/4 Inhibitor; IRAK-1/4 Inhibitor I; N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-3-nitrobenzamide; Interleukin-1 Receptor-Associated-Kinase-1/4 Inhibitor; CHEMBL379787; N-(1-(2-morpholinoethyl)-1H-benzo[d]imidazol-2-yl)-3-nitrobenzamide; N-[1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-yl]-3-nitrobenzamide; IRAK-1-4 Inhibitor; IRAK1/4 Inhibitor I; MLS006010636; GTPL5990; SCHEMBL3600534; DTXSID50475143; HMS3229G05; HMS3263A20; HMS3744A07; BCP16164; EX-A1254; Tox21_501049; 3747AH; BDBM50184706; MFCD09752602; s6598; ZINC16052821; AKOS026750497; Benzamide, N-[1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-yl]-3-nitro-; CCG-206760; CS-0704; LP01049; SDCCGSBI-0086683.P002; NCGC00186035-01; NCGC00186035-02; NCGC00186035-03; NCGC00186035-04; NCGC00186035-10; NCGC00261734-01; BS-17437; HY-13329; SMR001456469; J3.545.430F; F17398; IRAK-1/4 Inhibitor I, >=98% (HPLC), solid; Q27078097; 1-[2-(4-Morpholinyl)ethyl]-2-(3-nitrobenzoylamino)-1H-benzoimidazole; 3-nitro-N-(1-(2-morpholin-4-yl-ethyl)-1H-benzoimidazol-2-yl)-benzamide; N-{1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-yl}-3-nitrobenzamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	395.4	5	C20H21N5O4	105	580	2	29	1	6	C1COCCN1CCN2C3=CC=CC=C3N=C2NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]	"InChI=1S/C20H21N5O4/c26-19(15-4-3-5-16(14-15)25(27)28)22-20-21-17-6-1-2-7-18(17)24(20)9-8-23-10-12-29-13-11-23/h1-7,14H,8-13H2,(H,21,22,26)"	QTCFYQHZJIIHBS-UHFFFAOYSA-N
DG01526	FR900359	14101198	"FR900359; [(1R)-1-[(3S,6S,9S,12S,18R,21S,22R)-21-acetamido-18-benzyl-3-[(1R)-1-methoxyethyl]-4,9,10,12,16-pentamethyl-15-methylidene-2,5,8,11,14,17,20-heptaoxo-22-propan-2-yl-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-6-yl]-2-methylpropyl] (2S,3R)-3-hydroxy-4-methyl-2-(propanoylamino)pentanoate; 107530-18-7; CHEMBL4171381; UBO-QIC; FR-900359; GTPL9336; SCHEMBL22133450; CHEBI:178012; BDBM50514449"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	1002.2	15	C49H75N7O15	286	1940	3.5	71	5	15	CCC(=O)N[C@@H]([C@@H](C(C)C)O)C(=O)O[C@@H]([C@H]1C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)O[C@@H](C(=O)N(C(=C)C(=O)N[C@H](C(=O)N([C@H](C(=O)N1)C)C)C)C)CC2=CC=CC=C2)NC(=O)C)C(C)C)[C@@H](C)OC)C)C(C)C	"InChI=1S/C49H75N7O15/c1-17-34(58)52-35(39(59)24(2)3)47(65)70-40(25(4)5)36-46(64)56(15)38(30(11)68-16)49(67)71-41(26(6)7)37(51-31(12)57)48(66)69-33(23-32-21-19-18-20-22-32)45(63)55(14)28(9)42(60)50-27(8)44(62)54(13)29(10)43(61)53-36/h18-22,24-27,29-30,33,35-41,59H,9,17,23H2,1-8,10-16H3,(H,50,60)(H,51,57)(H,52,58)(H,53,61)/t27-,29-,30+,33+,35-,36-,37-,38-,39+,40+,41+/m0/s1"	IMXKHFILKMPFGB-ZWYWTTNJSA-N
DG01527	MRK-003	15953832	"MRK003; 623165-93-5; CHEMBL196215; (1'R,4R,10'S)-2-(2,2,2-Trifluoroethyl)-5'-[(E)-3-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide; MRK 003; MRK-003; SCHEMBL14181954; BDBM50171224; ZINC28526589; AKOS025149447; (3'R,6S,9R)-5,6,7,8,9,10-Hexahydro-5'-(2,2,2-trifluoroethyl)-2-[(1E)-3-[4-(trifluoromethyl)-1-piperidinyl]-1-propen-1-yl]spiro[6,9-methanobenzocyclooctene-11,3'-[1,2,5]thiadiazolidine] 1',1'-dioxide; (3R,6'S,9'R)-5-(2,2,2-Trifluoroethyl)-2'-((E)-3-(4-(trifluoromethyl)piperidin-1-yl)prop-1-en-1-yl)-5',6',7',8',9',10'-hexahydrospiro[[1,2,5]thiadiazolidine-3,11'-[6,9]methanobenzo[8]annulene] 1,1-dioxide; 423167-89-9; Rel-(3R,6'S,9'R)-5-(2,2,2-trifluoroethyl)-2'-((E)-3-(4-(trifluoromethyl)piperidin-1-yl)prop-1-en-1-yl)-5',6',7',8',9',10'-hexahydrospiro[[1,2,5]thiadiazolidine-3,11'-[6,9]methanobenzo[8]annulene] 1,1-dioxide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	551.6	4	C25H31F6N3O2S	61	957	5.3	37	1	11	C1C[C@@H]2CC3=C(C[C@H]1[C@]24CN(S(=O)(=O)N4)CC(F)(F)F)C=CC(=C3)/C=C/CN5CCC(CC5)C(F)(F)F	"InChI=1S/C25H31F6N3O2S/c26-24(27,28)16-34-15-23(32-37(34,35)36)21-5-6-22(23)14-19-12-17(3-4-18(19)13-21)2-1-9-33-10-7-20(8-11-33)25(29,30)31/h1-4,12,20-22,32H,5-11,13-16H2/b2-1+/t21-,22+,23+/m0/s1"	NKHUILHBYOOZDF-NCOIWELASA-N
DG01528	JW74	16013152	"JW74; 863405-60-1; CHEMBL1552719; JW-74; 5-(((4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-3-(p-tolyl)-1,2,4-oxadiazole; SCHEMBL11919898; HMS1844M08; JW 74; ZINC8614303; BDBM50380592; CCG-68686; STL406359; AKOS001512198; CS-5463; MCULE-3805212654; JW74, >=98% (HPLC); NCGC00115449-01; NCGC00115449-04; HY-19739; D065-0024; 3-(4-Methylphenyl)-5-[[[4-(4-methoxyphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-yl]thio]methyl]-1,2,4-oxadiazole; 4-[4-(4-methoxyphenyl)-5-({[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine; 4-[4-(4-methoxyphenyl)-5-({[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}thio)-4H-1,2,4-triazol-3-yl]pyridine; 4-[4-(4-Methoxyphenyl)-5-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thio]-4H-1,2,4-triazol-3-yl]-pyridine; 5-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	456.5	7	C24H20N6O2S	117	596	4.3	33	0	8	CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=NC=C5	"InChI=1S/C24H20N6O2S/c1-16-3-5-17(6-4-16)22-26-21(32-29-22)15-33-24-28-27-23(18-11-13-25-14-12-18)30(24)19-7-9-20(31-2)10-8-19/h3-14H,15H2,1-2H3"	KRIKILRRJCIWNB-UHFFFAOYSA-N
DG01529	Voxtalisib	16123056	"Voxtalisib; 934493-76-2; SAR245409; 2-amino-8-ethyl-4-methyl-6-(1h-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7(8h)-one; UNII-CVL1685GPH; CVL1685GPH; Voxtalisib (XL765, SAR245409); Voxtalisib [USAN:INN]; Voxtalisib (USAN/INN); Voxtalisib (XL-765); SCHEMBL189573; CHEMBL3545366; CHEBI:124914; BCP16243; EX-A4140; BDBM50519385; NSC791226; NSC800972; s7646; ZINC35308805; 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one; AKOS037515701; CCG-267162; CS-3163; DB12400; NSC-791226; NSC-800972; SAR 245409; SB16573; Pyrido(2,3-d)pyrimidin-7(8H)-one, 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-3-yl)-; NCGC00387875-03; NCGC00387875-04; AC-29029; AS-56112; HY-15900; QC-11818; J3.527.559B; D11727; A855661; Q27215232; 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido[2,3-d]pyrimidinone"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:124914	DB12400	.	.	270.29	2	C13H14N6O	101	425	0.5	20	2	5	CCN1C2=NC(=NC(=C2C=C(C1=O)C3=CC=NN3)C)N	"InChI=1S/C13H14N6O/c1-3-19-11-8(7(2)16-13(14)17-11)6-9(12(19)20)10-4-5-15-18-10/h4-6H,3H2,1-2H3,(H,15,18)(H2,14,16,17)"	RGHYDLZMTYDBDT-UHFFFAOYSA-N
DG01530	E7107	16202132	"E7107; UNII-R60DZX1E2N; R60DZX1E2N; 630100-90-2; (3R,6R,7S,8E,10S,11S,12E,14E,16R,18R,19R,20R,21S)-7-[(4-cycloheptylpiperazin-1-yl)carbonyl]oxy-3,6,16,21-tetrahydroxy-6,10,12,16,20-pentamethyl-18,19-epoyxtrichosa-8,12,14-trien-11-olide; [(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-2-[(2E,4E,6R)-6-hydroxy-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate; E 7107; SCHEMBL3624011; CHEMBL4297278; BDBM36359; DB12508; CID16202132; Q27287836; 1-Piperazinecarboxylic acid, 4-cycloheptyl-, (2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-2-((1E,3E,5R)-5-hydroxy-6-((2R,3R)-3-((1R,2S)-2-hydroxy-1-methylbutyl)oxiranyl)-1,5-dimethyl-1,3-hexadienyl)-3,7-dimethyl-12-oxooxacyclododec-4-en-6-yl ester"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	DB12508	.	.	719	11	C40H66N2O9	153	1220	5.2	51	4	10	CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@](C)(/C=C/C=C(\\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)N3CCN(CC3)C4CCCCCC4)C)O)O	"InChI=1S/C40H66N2O9/c1-7-32(44)29(4)37-33(49-37)26-39(5,47)19-12-13-27(2)36-28(3)16-17-34(40(6,48)20-18-31(43)25-35(45)51-36)50-38(46)42-23-21-41(22-24-42)30-14-10-8-9-11-15-30/h12-13,16-17,19,28-34,36-37,43-44,47-48H,7-11,14-15,18,20-26H2,1-6H3/b17-16+,19-12+,27-13+/t28-,29+,31+,32-,33+,34-,36+,37+,39-,40+/m0/s1"	MNOMBFWMICHMKG-MGYWSNOQSA-N
DG01531	Cobimetinib	16222096	"Cobimetinib; 934660-93-2; GDC-0973; XL518; Cotellic; Xl-518; GDC 0973; RG7420; XL 518; RG 7420; UNII-ER29L26N1X; ER29L26N1X; C21H21F3IN3O2; CHEMBL2146883; XL518 (GDC-0973); Cobimetinib (GDC-0973, RG7420); (S)-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)phenyl)(3-hydroxy-3-(piperidin-2-yl)azetidin-1-yl)methanone; [3,4-Bis(Fluoranyl)-2-[(2-Fluoranyl-4-Iodanyl-Phenyl)amino]phenyl]-[3-Oxidanyl-3-[(2s)-Piperidin-2-Yl]azetidin-1-Yl]methanone; [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone; [3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-phenyl]-((s)-3-hydroxy-3-piperidin-2-yl-azetidin-1-yl)-methanone; EUI; Cobimetinib Butyrate; Cobimetinib [USAN:INN]; cometinib; Cobimetinib (USAN/INN); SCHEMBL189565; GTPL7626; QCR-87; XL518;RG7420;Cobimetinib; CHEBI:90851; DTXSID60239435; EX-A673; GDC0973; GDC0973; XL518; Cobimetinib; 3556AH; BDBM50391802; MFCD22124461; NSC768068; NSC781257; NSC800075; s8041; ZINC60325170; BCP9000716; CCG-264727; CS-0521; DB05239; NSC-768068; NSC-781257; NSC-800075; VS-0129; NCGC00346455-03; NCGC00346455-05; (3,4-difluoro-2-(2-fluoro-4-iodophenylamino)phenyl)(3-hydroxy-3-(piperidin-2-yl)azetidin-1-yl)methanone; HY-13064; Methanone, (3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)phenyl)(3-hydroxy-3-((2S)-2-piperidinyl)-1-azetidinyl)-; RO-5514041; D10405; J-525162; Q15708292; (3,4-difluoro-2-(2-fluoro-4-iodophenylamino)phenyl)(3-hydroxy-3-((S)-piperidin-2-yl)cyclobutyl)methanone; [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin; [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]{3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl}methanone; [3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl]-[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone; {3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}{3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl}methanone"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:90851	DB05239	.	.	531.3	4	C21H21F3IN3O2	64.599	624	3.9	30	3	7	C1CCN[C@@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O	"InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1"	BSMCAPRUBJMWDF-KRWDZBQOSA-N
DG01532	Buparlisib	16654980	"Buparlisib; 944396-07-0; NVP-BKM120; BKM120; 5-(2,6-dimorpholinopyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine; NVP-BKM-120; BKM-120; 1202777-78-3; BKM 120; Buparlisib (BKM120); UNII-0ZM2Z182GD; NVP-BKM 120; BKM120 (NVP-BKM120, Buparlisib); 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine; 5-[2,6-Di(4-morpholinyl)-4-pyrimidinyl]-4-(trifluoromethyl)-2-pyridinamine; 5-[2,6-Di(Morpholin-4-Yl)pyrimidin-4-Yl]-4-(Trifluoromethyl)pyridin-2-Amine; 0ZM2Z182GD; CHEMBL2017974; CHEBI:71954; 944396-07-0 (free base); C18H21F3N6O2; 2-Pyridinamine,5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-4-(trifluoromethyl)-; 5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-4-(trifluoromethyl)-2-Pyridinamine; 5-[2,6-Di(4-morpholinyl)-4-pyrimidinyl]-4-(trifluoromethyl)-2-pyridinamine.; Buparlisib [USAN:INN]; BKM 120NX; SD5; Buparlisib; BKM120; 3sd5; Buparlisib (USAN/INN); QCR-4; BKM-120NX; BKM120-NX; MLS006010984; SCHEMBL146956; GTPL7878; BKM120,NVP-BKM120; AMMD00049; BKM-120 (PI3K); DTXSID50241486; EX-A189; SYN1200; HMS3295I15; HMS3655D16; AOB87379; BKM120 (NVP-BKM120); BKM120 - NVP-BKM120; BDBM50380363; MFCD18251596; NSC754353; NSC799370; s2247; ZINC43154039; 2-Pyridinamine, 5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-4-(trifluoromethyl)-; AKOS016005372; AM85983; BCP9001011; CCG-264954; CS-0089; DB11666; NSC-754353; NSC-799370; SB16577; NCGC00262604-01; NCGC00262604-08; AC-32077; AS-40568; HY-70063; SMR004702786; DB-079882; FT-0755923; SW218149-2; X7578; A25436; D10584; A892274; J-516601; BRD-K42191735-001-01-2; Q25100534; 4-(trifluoromethyl)-5-(2,6-dimorpholinopyrimidin-4-yl)pyridin-2-amine; 5-(2,6-Di-4-morpholinyl-4-pyrimidinyl)-4-trifluoromethylpyridin-2-amine; 5-(2,6-di-morpholin-4-yl-pyrimidin-4-yl)-4-trifluoromethyl-pyridin-2-ylamine"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:71954	DB11666	.	.	410.4	3	C18H21F3N6O2	89.6	530	1.5	29	1	11	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	"InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)"	CWHUFRVAEUJCEF-UHFFFAOYSA-N
DG01533	AZD1480	16659841	"AZD1480; 935666-88-9; AZD-1480; AZD 1480; UNII-KL2Z2TLF01; (S)-5-chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine; C14H14ClFN8; KL2Z2TLF01; CHEMBL1231124; 5-Chloro-N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-N4-(5-Methyl-1h-Pyrazol-3-Yl)pyrimidine-2,4-Diamine; 5-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine; 2,4-Pyrimidinediamine,5-chloro-N2-[(1S)-1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)-; 2xa4; MLS006011153; GTPL5933; QCR-23; SCHEMBL3345019; AMMD00048; DTXSID50239469; EX-A450; BCPP000361; AOB87317; BCP02413; AZD1480,AZD 1480; BDBM50335201; NSC756648; NSC799344; s2162; ZINC58631551; AKOS027322548; AM85979; BCP9000361; CCG-268021; DB12588; NSC-756648; NSC-799344; NCGC00242486-01; NCGC00242486-02; NCGC00242486-05; 2,4-Pyrimidinediamine, 5-chloro-N2-((1S)-1-(5-fluoro-2-pyrimidinyl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)-; AC-32807; AS-17011; HY-10193; SMR004702927; SW219486-1; X7497; J3.540.767G; J-502241; Q27074711; 935666-88-9, 1260222-79-4 (TFA); (R)-5-chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine; 5-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine; 5-chloro-N~2~-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N~4~-(3-methyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine; 5-chloro-N2-[(1S)-1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)- 2,4-pyrimidinediamine; 5-Chloro-N2-[(1S)-1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)-2,4-pyrimidine-2,4-diamine; AZ5"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB12588	.	.	348.76	5	C14H14ClFN8	104	397	2.4	24	3	8	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	"InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1"	PDOQBOJDRPLBQU-QMMMGPOBSA-N
DG01534	AZD-8330	16666708	"AZD8330; 869357-68-6; AZD-8330; ARRY-424704; ARRY-704; AZD 8330; 2-((2-fluoro-4-iodophenyl)amino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide; UNII-G4990BOZ66; ARRY-424704, ARRY-704; 2-(2-fluoro-4-iodophenylamino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide; G4990BOZ66; 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide; C16H17FIN3O4; 2-((2-fluoro-4-iodophenyl)amino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide.; ARRY 424704; ARRY704; MLS006011055; SCHEMBL388533; GTPL8474; CHEMBL3182621; CHEBI:91424; DTXSID50235986; QCR-188; SYN1195; ARRY424704; BCPP000359; BDBM520648; HMS3295M05; HMS3655B04; AOB87392; BCP02466; EX-A2349; NSC772563; NSC799353; s2134; ZINC43152942; AKOS027420927; BCP9000368; CCG-269348; CS-0217; DB06061; NSC-772563; NSC-799353; ARRY-704, ARRY-424704; NCGC00346567-01; NCGC00346567-12; 2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide; AC-32863; AS-16990; HY-12058; SMR004702847; SW219692-1; US11147816, AZD8330; X7393; AZD8330,ARRY-424704, ARRY-704; AZD8330(ARRY-424704; ARRY-704); J-505617; BRD-K37687095-001-01-0; Q27074802; 2-(2-fluoro-4-iodophenylamino)-N-(2-hydroxyethoxyl)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide; ARRY-424704; ; ; 2-(2-Fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide"	Discontinued in Phase 1	13	Discontinued Drug(s)	Discontinued in Phase 1	Small molecular drug	.	CHEBI:91424	DB06061	.	.	461.23	6	C16H17FIN3O4	90.9	596	2.2	25	3	6	CC1=CC(=C(N(C1=O)C)NC2=C(C=C(C=C2)I)F)C(=O)NOCCO	"InChI=1S/C16H17FIN3O4/c1-9-7-11(15(23)20-25-6-5-22)14(21(2)16(9)24)19-13-4-3-10(18)8-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,23)"	RWEVIPRMPFNTLO-UHFFFAOYSA-N
DG01535	RO-5126766 free base	16719221	"946128-88-7; RO5126766; RO-5126766; CH5126766; Ro 5126766; RO-5126766 free base; RO5126766(CH5126766); CHEBI:78825; CH-5126766; Ro 5126766 - Bio-X; RG-7304; CKI-27; 3-[[2-[(methylaminosulfonyl)amino]-3-fluoropyridin-4-yl]methyl]-4-methyl-7-[(pyrimidin-2-yl)oxy]-2H-1-benzopyran-2-one; CHEMBL3264002; UNII-D0D4252V97; RO5126766 (CH5126766); D0D4252V97; VS-6766; N-(3-Fluoro-4-{[4-Methyl-2-Oxo-7-(Pyrimidin-2-Yloxy)-2h-Chromen-3-Yl]methyl}pyridin-2-Yl)-N'-Methylsulfuric Diamide; avutometinib; 3wig; CHU; SCHEMBL960093; GTPL11867; BCP21067; EX-A2151; BDBM50010462; NSC758248; NSC800871; s7170; ZINC68247388; AKOS030527032; CCG-269457; compound 1 [PMID: 24900832]; CS-5254; DB15254; NSC-758248; NSC-800871; SB16628; DA-40233; HY-18652; B5820; CH 5126766; FT-0737411; R-7304; A916428; RO5126766; CH5126766; Q27147976; RO 5126766; RO5126766; CH5126766; CH5126766; CH 5126766; 3-[(2-((N-methylsulfamoyl)amino)-3-fluoropyridin-4-yl)methyl]-4-methyl-7-(pyrimidin-2-yloxy)-chromen-2-one; 3-[[3-fluoro-2-(methylsulfamoylamino)pyridin-4-yl]methyl]-4-methyl-7-pyrimidin-2-yloxychromen-2-one; Sulfamide, N-(3-fluoro-4-((4-methyl-2-oxo-7-(2-pyrimidinyloxy)-2H-1-benzopyran-3-yl)methyl)-2-pyridinyl)-N'-methyl-"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:78825	DB15254	.	.	471.5	7	C21H18FN5O5S	141	845	2	33	2	11	CC1=C(C(=O)OC2=C1C=CC(=C2)OC3=NC=CC=N3)CC4=C(C(=NC=C4)NS(=O)(=O)NC)F	"InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27)"	LMMJFBMMJUMSJS-UHFFFAOYSA-N
DG01536	Pictilisib	17755052	"957054-30-7; GDC-0941; PICTILISIB; Pictrelisib; GDC0941; GDC 0941; 4-(2-(1H-Indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholine; 2-(1H-Indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine; UNII-ICY00EMP8P; GDC-0941 (Pictilisib); Pictilisib (GDC-0941); ICY00EMP8P; 4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine; CHEBI:65326; 957054-30-7 (free base); RG7321; 2-(1H-Indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine; C23H27N7O3S2; 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-(morpholin-4-yl)thieno[3,2-d]pyrimidine; 2-(1h-Indazol-4-Yl)-6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Yl-Thieno[3,2-D]pyrimidine; 4-(2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno(3,2-d)pyrimidin-4-yl)morpholine; GD9; Pictilisib [USAN:INN]; Pictilisib (USAN); Kinome_3719; GDC0941(Pictilisib); 957054-50-1; Pictilisib; GDC-0941; 2-(1H-Indazol-4-yl)-6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)thieno[3,2-d]pyrimidine; MLS006010057; SCHEMBL190812; CHEMBL521851; GTPL5682; BDBM25028; DTXSID40241930; EX-A167; SYN1041; HMS2043A16; HMS3244H06; HMS3244H10; HMS3244H14; HMS3265I05; HMS3265I06; HMS3265J05; HMS3265J06; HMS3654K13; HMS3744A19; AOB87310; BCP01714; CDC-0941; EX-A1536; GNE 0941; MFCD11616196; NSC755385; NSC800852; s1065; ZINC16052714; AKOS015966503; BCP9000715; CCG-264801; CS-0081; DB11663; NSC-755385; NSC-800852; QC-4780; RG-7321; SB19941; NCGC00187482-01; NCGC00187482-03; NCGC00187482-10; 2-(1H-indazol-4-yl)-6-((4-(methanesulfonyl)piperazin-1-yl)methyl)-4-(morpholin-4-yl)thieno(3,2-d)pyrimidine; AC-32623; AS-19377; HY-50094; SMR004701219; Thieno(3,2-d)pyrimidine, 2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)-1-piperazinyl]methyl)-4-(4-morpholinyl)-; FT-0696889; SW202556-4; X7409; EC-000.2335; D10189; 054G307; A845396; J-513238; BRD-K52911425-001-02-3; Q27088388; C532162000; 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidine; 4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine; 4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonyl-1-piperazinyl)methyl]-4-thieno[3,2-d]pyrimidinyl]morpholine; Thieno[3,2-d]pyrimidine,2-(1H-indazol-4-yl)-6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)-"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:65326	DB11663	.	.	513.6	5	C23H27N7O3S2	144	832	1.6	35	1	10	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	"InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)"	LHNIIDJUOCFXAP-UHFFFAOYSA-N
DG01537	Tirbanibulin	23635314	"KX2-391; 897016-82-9; Tirbanibulin; KX-01; N-benzyl-2-(5-(4-(2-morpholinoethoxy)phenyl)pyridin-2-yl)acetamide; UNII-4V9848RS5G; KX-2-391; KX-2391; CHEMBL571546; 4V9848RS5G; KX2391; KX2-391;KX-01; 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-~{N}-(phenylmethyl)ethanamide; Klisyri; KX 01; Tirbanibulin [USAN]; Tirbanibulin (USAN/INN); KX2-391 (Tirbanibulin); Tirbanibulin (KX2-391); MLS006011272; SCHEMBL153779; GTPL7957; KX01; DTXSID30237862; HMS3656J15; HMS3673E15; BCP02845; EX-A2434; XKB01682; BDBM50303801; NSC756643; NSC800779; s2700; WHO 10864; ZINC43152787; N-benzyl-2-(5-{4-[2-(morpholin-4-yl)ethoxy]phenyl}pyridin-2-yl)acetamide; N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]acetamide; BCP9000828; CCG-264983; CS-0248; DB06137; KX2-391; KX-01; NSC-756643; NSC-800779; SB16619; 2-Pyridineacetamide, 5-(4-(2-(4-morpholinyl)ethoxy)phenyl)-n-(phenylmethyl)-; NCGC00346644-01; NCGC00346644-05; AS-73245; HY-10340; KX 2-391; SMR004703022; DB-119272; SW219670-1; X7515; C77028; D11691; A915990; BRD-K29968218-001-01-6; Q27888424; 2-(5-(4-(2-morpholinoethoxy)phenyl)pyridin-2-yl)-N-benzylacetamide; 2-(5-(4-(2-morpholinoethoxyl)phenyl)pyridin-2-yl)-N-benzylacetamide; 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-N-(phenylmethyl)acetamide; 2-Pyridineacetamide,5-[4-[2-(4-morpholinyl)ethoxy]phenyl]-N-(phenylmethyl)-; 5-[4-[2-(4-Morpholinyl)ethoxy]phenyl]-N-(phenylmethyl)-2-pyridineacetamide; DN0"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB06137	.	.	431.5	9	C26H29N3O3	63.7	540	2.9	32	1	5	C1COCCN1CCOC2=CC=C(C=C2)C3=CN=C(C=C3)CC(=O)NCC4=CC=CC=C4	"InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)"	HUNGUWOZPQBXGX-UHFFFAOYSA-N
DG01538	PLX4720	24180719	"PLX-4720; 918505-84-7; PLX4720; N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide; PLX 4720; N-[3-[(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-1-propanesulfonamide; UNII-EQY31RO8HA; N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide; EQY31RO8HA; CHEBI:90295; N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluoro-phenyl]propane-1-sulfonamide; N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide; C17H14ClF2N3O3S; N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide; a,a-dimethoxytoluene; 3c4c; MLS006010065; SCHEMBL133733; GTPL5703; CHEMBL1230020; BDBM25617; AMY2871; DTXSID10238711; EX-A186; SYN1069; HMS3244C03; HMS3244C04; HMS3244D03; HMS3265I09; HMS3265I10; HMS3265J09; HMS3265J10; HMS3654M10; HMS3750K11; HMS3884C05; ACT06829; AOB87700; BCP01754; PLX-4720,PLX4720; BBL102256; MFCD14635203; NSC757438; s1152; STL556055; ZINC39059267; AKOS015919071; CCG-268810; CS-0094; DB06999; NSC-757438; NCGC00187911-01; NCGC00187911-02; NCGC00187911-06; 1-Propanesulfonamide, N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-; AC-23171; AS-19376; HY-51424; SMR004701225; DB-003736; FT-0673969; SW218119-2; X7406; A19411; Raf Kinase Inhibitor V - CAS 918505-84-7; 505P847; J-522979; BRD-K16478699-001-01-9; Q27088418; N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluoro-phenyl]pr opane-1-sulfonamide; propane-1-sulfonic acid [3-(5-chloro-1h-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluoro-phenyl]-amide; Propane-1-sulfonic acid[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-amide"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:90295	DB06999	.	.	413.8	6	C17H14ClF2N3O3S	100	648	3.3	27	2	7	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	"InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)"	YZDJQTHVDDOVHR-UHFFFAOYSA-N
DG01539	CUDC-101	24756910	"CUDC-101; 1012054-59-9; CUDC 101; 7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide; CUDC101; UNII-1A7Y9MP123; 7-[[4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yl]oxy]-N-hydroxyheptanamide; CHEMBL598797; 1A7Y9MP123; 7-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide; 7-((4-((3-ethynylphenyl)amino)-7-methoxyquinazolin-6-yl)oxy)-N-hydroxyheptanamide; 7-((4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yl)oxy)-N-hydroxyheptanamide; 7-({4-[(3-ethynylphenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxyheptanamide; CUDC-101, Free Base; SCHEMBL93769; MLS006010163; GTPL8894; AOB6495; DTXSID00143784; EX-A842; QCR-203; HMS3654C20; BCP01935; BDBM50307768; MFCD15528940; NSC800081; s1194; ZINC43196377; AKOS022526176; BCP9000556; CCG-264856; compound 8 [PMID: 20143778]; DB12174; NSC-800081; SB19287; NCGC00263177-01; NCGC00263177-05; NCGC00263177-12; 1313875-12-5; AC-28428; AS-16955; HY-10223; SMR004701272; FT-0665231; SW219934-1; X7526; J-000340; J-519062; Q27076925; Heptanamide, 7-[[4-[(3-ethynylphenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-N-hydroxy-"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	DB12174	.	.	434.5	12	C24H26N4O4	106	624	4	32	3	7	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	"InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)"	PLIVFNIUGLLCEK-UHFFFAOYSA-N
DG01540	Ipatasertib	24788740	"Ipatasertib; GDC-0068; 1001264-89-6; Ipatasertib (GDC-0068); UNII-524Y3IB4HQ; RG7440; GDC0068; GDC 0068; RG-7440; GDC-0068 (RG7440); 524Y3IB4HQ; CHEMBL2177390; (S)-2-(4-chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one; RG 7440; (2S)-2-(4-Chlorophenyl)-1-[4-[(5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl]-1-piperazinyl]-3-[(1-methylethyl)amino]-1-propanone; (2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one; C24H32ClN5O2; (2s)-2-(4-Chlorophenyl)-1-{4-[(5r,7r)-7-Hydroxy-5-Methyl-6,7-Dihydro-5h-Cyclopenta[d]pyrimidin-4-Yl]piperazin-1-Yl}-3-(Propan-2-Ylamino)propan-1-One; 1-Propanone, 2-(4-chlorophenyl)-1-(4-((5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl)-1-piperazinyl)-3-((1-methylethyl)amino)-, (2S)-; Ipatasertib [USAN:INN]; MFCD22124514; 1-Propanone, 2-(4-chlorophenyl)-1-[4-[(5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl]-1-piperazinyl]-3-[(1-methylethyl)amino]-, (2S)-; GDC0068 di-HCl; Ipatasertib (USAN/INN); GDC-0068 di-HCl; Ipatasertib; GDC-0068; RG-7440 di-HCl; SCHEMBL191659; GTPL7887; CHEBI:95089; AOB87386; EX-A2077; BDBM50398379; NSC767898; NSC781451; NSC800986; NSC832484; s2808; ZINC68250459; AKOS025396463; BCP9000712; CCG-269312; CS-0975; DB11743; NSC-767898; NSC-781451; NSC-800986; NSC-832484; NCGC00346714-01; (2S)-2-(4-Chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidin-4-yl)piperazin-1-yl(-3-((propan-2-yl)amino)propan-1-one; 2-(4-chlorophenyl)-1-(4-(7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one; AC-28420; AS-17027; HY-15186; QC-10488; BCP0726000195; X6541; J3.478.537F; D10641; Q27078088; (2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one; 0RF"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:95089	DB11743	.	.	458	6	C24H32ClN5O2	81.6	622	2.5	32	2	6	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	"InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1"	GRZXWCHAXNAUHY-NSISKUIASA-N
DG01541	BMS-777607	24794418	"BMS-777607; 1025720-94-8; BMS 777607; 1196681-44-3; BMS777607; ASLAN-002; UNII-A3MMS6HDO1; ASLAN002; N-(4-(2-Amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide; A3MMS6HDO1; N-[4-(2-amino-3-chloropyridin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide; BMS 817378; 3-Pyridinecarboxamide, N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-1,2-dihydro-2-oxo-; N-(4-((2-amino-3-chloropyridin-4-yl)oxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide; N-[4-[(2-Amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide; N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide; 3-Pyridinecarboxamide, N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-1,2-dihydro-2-oxo-;3-Pyridinecarboxamide, N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-1,2-dihydro-2-oxo-; N-(4-((2-amino-3-chloropyridin-4-yl)oxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide.; MLS006010958; C25H19ClF2N4O4; CHEMBL460702; GTPL7953; SCHEMBL2588311; BDBM28031; CHEBI:91409; DTXSID50145278; EX-A004; 3f82; HMS3295I07; HMS3655C05; AMY24190; AOB87395; BCP02303; BCP13190; BMS777606; MFCD16495773; NSC764090; NSC799365; s1561; ZINC39716080; AKOS026750587; BCP9000432; CCG-264913; CS-0227; DB12064; EX-7213; NSC-764090; NSC-799365; QC-7244; SB16607; NCGC00263157-01; NCGC00263157-09; AC-30912; AC-31421; AS-17034; DA-35016; HY-12076; N-[4-[(2-Amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-1,2-dihydro-2-oxo-3-pyridinecarboxamide; N-{4-[(2-Amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl}-4-ethoxy -1-(4-fluorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide; SMR004702762; BMS-777607;BMS777607; FT-0701277; FT-0722977; SW219298-1; X7495; A25030; BMS-777607, >=98% (HPLC); J-004169; J-523337; BRD-K40738845-001-01-9; Q27075371; N-(4-(2-amino-3-chloropyridin-4-yloxy )-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide; N-[4-[(2-Amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-1,2-dihydro-2-oxo-3-pyridinecarboxamide,; N-[4-[(2-Amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide;BMS-817378;BMS-777607"	Phase 1/2	8	Clinical Trial Drug(s)	Phase 1/2	Small molecular drug	.	CHEBI:91409	DB12064	.	.	512.9	7	C25H19ClF2N4O4	107	867	4	36	2	8	CCOC1=C(C(=O)N(C=C1)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F	"InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)"	VNBRGSXVFBYQNN-UHFFFAOYSA-N
DG01542	SGI-1776	24795070	"SGI-1776; 1025065-69-3; SGI-1776 free base; N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine; SGI 1776; SGI1776; N-((1-methylpiperidin-4-yl)methyl)-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine; UNII-72AUA0603W; N-[(1-Methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-imidazo[1,2-b]pyridazin-6-amine; CHEMBL1952329; 72AUA0603W; CHEMBL1952141; Imidazo[1,2-b]pyridazin-6-amine, N-[(1-methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-;Imidazo[1,2-b]pyridazin-6-amine, N-[(1-methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-; Imidazo(1,2-b)pyridazin-6-amine, N-((1-methyl-4-piperidinyl)methyl)-3-(3-(trifluoromethoxy)phenyl)-; Imidazo[1,2-b]pyridazin-6-amine, N-[(1-methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-; N-((1-Methylpiperidin-4-yl)methyl)-3-(3-(trifluoromethoxy)phenyl)imidazo(1,2-b)pyridazin-6-amine; Pim-Kinase Inhibitor IX; SGI 1776 free base; MLS006011076; SCHEMBL102498; GTPL8784; CHEBI:95061; AOB2259; DTXSID10647329; QCR-216; HMS3655P08; HMS3672I15; HMS3747C17; BCP02279; EX-A1373; SGI 1776;SGI1776; BDBM50364776; MFCD16659064; NSC757333; NSC800883; s2198; ZINC68205235; AKOS026750649; CCG-264941; CS-0513; DB12494; NSC-757333; NSC-800883; SB19298; NCGC00263186-01; NCGC00263186-02; NCGC00263186-11; AC-28432; AS-16326; HY-13287; SMR004702864; DB-058820; FT-0702224; SW218133-2; X7567; A25500; J-000709; J-523286; Q27088795; N-[(1-methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-imidazo[1,2-beta]pyridazin-6-amine; N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-f]pyridazin-6-amine"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB12494	.	.	405.4	5	C20H22F3N5O	54.7	529	4.3	29	1	8	CN1CCC(CC1)CNC2=NN3C(=NC=C3C4=CC(=CC=C4)OC(F)(F)F)C=C2	"InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)"	MHXGEROHKGDZGO-UHFFFAOYSA-N
DG01543	Apalutamide	24872560	"Apalutamide; ARN-509; 956104-40-8; Erleada; ARN 509; JNJ-56021927; ARN509; Apalutamide (ARN-509); UNII-4T36H88UA7; 4-(7-(6-CYANO-5-(TRIFLUOROMETHYL)PYRIDIN-3-YL)-8-OXO-6-THIOXO-5,7-DIAZASPIRO[3.4]OCTAN-5-YL)-2-FLUORO-N-METHYLBENZAMIDE; 4T36H88UA7; 956104-40-8 (free base); 4-[7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide; 4-{7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl}-2-fluoro-N-methylbenzamide; Apalutamide [INN]; AR509; 4-(7-(6-Cyano-5-(trifluoromethyl)pyridin-3-yl)-8-oxo-6-thioxo-5,7-diazaspiro(3.4)octan-5-yl)-2-fluoro-N-methylbenzamide; ApalutamideARN509; Erleada (TN); JNJ 56021927; Apalutamide (JAN/INN); MLS006011109; SCHEMBL909297; GTPL9043; C21H15F4N5O2S; CHEMBL3183409; DTXSID40241899; EX-A089; QCR-211; HMS3656N12; AMY24182; BCP05829; AR509/AR-509; BDBM50094975; MFCD22380626; NSC771649; NSC794776; s2840; ZINC43174901; AKOS025401932; CCG-264760; CS-0885; DB11901; NSC-771649; NSC-794776; PB27306; NCGC00346725-01; NCGC00346725-02; NCGC00346725-06; 4-(7-(6-cyano-5-(trifluoroMethyl)pyridin-3-yl)-8-oxo-6-thioxo-5,7-diazaspirooctan-5-yl)-2-fluoro-N-MethylbenzaMide; AC-27403; AS-35181; HY-16060; SMR004702891; SW220300-1; Y0375; 24872560, Erleada, C21H15F4N5O2S; D11040; J-519596; Q21098975; Benzamide, 4-[7-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl]-2-fluoro-N-methyl-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11901	DR0121	.	477.4	3	C21H15F4N5O2S	121	886	3	33	1	9	CNC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(N=C4)C#N)C(F)(F)F)F	"InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)"	HJBWBFZLDZWPHF-UHFFFAOYSA-N
DG01544	Niraparib	24958200	"Niraparib; 1038915-60-4; MK-4827; (S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide; ZEJULA; MK4827; UNII-HMC2H89N35; MK 4827; 2-{4-[(3s)-piperidin-3-yl]phenyl}-2h-indazole-7-carboxamide; HMC2H89N35; 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide; CHEMBL1094636; Niraparib [USAN:INN]; MK 4827 (Base); 3JD; Niraparib (USAN); Zejula (TN); MK-4827(Niraparib); GTPL8275; SCHEMBL1421875; AMY4192; DTXSID50146129; EX-A290; CHEBI:176844; MK-4827 (PARP-1); 0919AA; BDBM50316226; MFCD17779309; NSC754355; NSC800020; s2741; ZINC43206370; AKOS016004869; BCP9000940; CCG-267709; compound 56 [PMID 19873981]; CS-0780; DB11793; MK-4827/MK4827; NSC-754355; NSC-800020; ZL-2306; NCGC00346435-01; NCGC00346435-04; AC-28447; AS-35248; HY-10619; JNJ-64091742; BCP0726000077; A3617; D10140; A857972; Q25326660; 2-[4-[(3S)-3-Piperidyl]phenyl]indazole-7-carboxamide; 2-[4-(3S)-3-Piperidinylphenyl]-2H-indazole-7-carboxamide; 2H-Indazole-7-carboxamide, 2-[4-(3S)-3-piperidinylphenyl]"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB11793	DR1164	.	320.4	3	C19H20N4O	72.9	449	2.2	24	2	3	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	"InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1"	PCHKPVIQAHNQLW-CQSZACIVSA-N
DG01545	MK-2206	24964624	"MK-2206; 1032349-93-1; UNII-51HZG6MP1K; MK 2206; 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one; MK2206; 51HZG6MP1K; CHEMBL1079175; CHEBI:67271; NCGC00186465-01; DSSTox_CID_28874; DSSTox_RID_83143; DSSTox_GSID_48948; 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one; 1,2,4-Triazolo[3,4-f][1,6]naphthyridin-3(2H)-one, 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-;1,2,4-Triazolo[3,4-f][1,6]naphthyridin-3(2H)-one, 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-;8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-ol; 8-(4-(1-Aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthy ridin-3(2H)-one; 8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one; CAS-1032350-13-2; 1032349-77-1; MK-2206 free base; SCHEMBL530721; GTPL7945; DTXSID3048948; BCP20200; Tox21_113368; BDBM50313650; NSC756656; NSC800794; ZINC36382821; AKOS032945686; Tox21_113368_1; BCP9000938; MK 2206;MK2206; NSC-756656; NSC-800794; SB16805; 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-1,2,4-Triazolo[3,4-f][1,6]naphthyridin-3(2H)-one; NCGC00186465-02; NCGC00186465-03; NCGC00186465-04; NCGC00186465-08; DB-058959; FT-0738942; A25240; MK2206;MK 2206;MK-2206 dihydrochloride; cas:1032350-13-2;MK 2206; BRD-K68065987-300-02-6; Q25100065; 1,2,4-Triazolo(3,4-f)(1,6)naphthyridin-3(2H)-one, 8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-; 8-[4-(1-Aminocyclobutyl)phenyl]-9-phenyl-1,2,4-triazolo[3,4-f][1,6]naphthyridin-3(2H)-one dihydrochloride;MK-2206 Dihydrochloride; 8-[4-(1-Aminocyclobutyl)phenyl]-9-phenyl[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-3(2H)-one"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:67271	.	.	.	407.5	3	C25H21N5O	83.6	760	3	31	2	4	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	"InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)"	ULDXWLCXEDXJGE-UHFFFAOYSA-N
DG01546	Patidegib	25027363	"SARIDEGIB; Patidegib; IPI-926; 1037210-93-7; IPI 926; UNII-JT96FPU35X; JT96FPU35X; CHEMBL538867; N-((2S,3R,3aS,3'R,4a'R,6S,6a'R,6b'S,7aR,12a'S,12b'S)-3,6,11',12b'-tetramethyl-2',3a,3',4,4',4a',5,5',6,6',6a',6b',7,7a,7',8',10',12',12a',12b'-icosahydro-1'H,3H-spiro[furo[3,2-b]pyridine-2,9'-naphtho[2,1-a]azulen]-3'-yl)methanesulfonamide; N-[(3R,3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-3',6',11,12b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-yl]methanesulfonamide; Patidegib [USAN:INN]; Saridegib [Rescinded USAN]; Patidegib (USAN); IP9 FREE BASE; FIN-5; IPI-926 FREE BASE; SCHEMBL421999; GTPL8198; IP-9; DTXSID40146032; CHEBI:177425; Saridegib (IPI-926; Patidegib); WHO 9619; BDBM50293788; ZINC43197072; DB12655; HY-16587; CS-0007501; D10324; Q15426668; Methanesulfonamide, N-((2S,3R,3'R,3aS,4'aR,6S,6'aR,6'bS,7aR,12'aS,12'bS)- 2',3',3a,4,4',4'a,5,5',6,6',6'a,6'b,7,7',7a,8',10',12',12'a,12'b-eicosahydro-3,6,11',12'b-tetramethylspiro(furo(3,2-b)pyridine-2(3H),9'(1'H)-naphth(2,1-a)azulen)-3'-yl)-; N-((2S,3R,3aS,3''R,4a''R,6S,6a''R,6b''S,7aR,12a''S,12b''S)-3,6,11'',12b''-tetramethyl-2'',3a,3'',4,4'',4a'',5,5'',6,6'',6a'',6b'',7,7a,7'',8'',10'',12'',12a'',12b''-icosahydro-1''H,3H-spiro[furo[3,2-b]pyridine-2,9''-naphtho[2,1-a]azulene]-3''-yl)methanesulfonamide; N-[(3R,3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-3',6',11,12b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-uro[3,2-b]pyridine]-3-yl]methanesulonamide"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB12655	.	.	504.8	2	C29H48N2O3S	75.8	988	4.6	35	2	5	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC[C@@H]6C[C@@H](CC[C@@]6([C@H]5CC4=C(C3)C)C)NS(=O)(=O)C)C)NC1	"InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1"	HZLFFNCLTRVYJG-WWGOJCOQSA-N
DG01547	PF-04691502	25033539	"PF-04691502; 1013101-36-4; PF 04691502; 2-amino-8-((1r,4r)-4-(2-hydroxyethoxy)cyclohexyl)-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one; PF04691502; UNII-4W39NS61KI; 4W39NS61KI; CHEMBL1234354; PF-4691502; 2-Amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one; 2-Amino-8-[trans-4-(2-Hydroxyethoxy)cyclohexyl]-6-(6-Methoxypyridin-3-Yl)-4-Methylpyrido[2,3-D]pyrimidin-7(8h)-One; 2-Amino-8-(cis-4-(2-hydroxyethoxy)cyclohexyl)-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one; 2-Amino-8-(cis-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one; 4tv3; MLS006010979; GTPL7936; SCHEMBL1381425; SCHEMBL1381431; SCHEMBL1984896; SCHEMBL10092210; SCHEMBL13976989; EX-A032; QCR-137; HMS3656B21; AOB87714; BCP02895; BDBM50380313; MFCD18782794; NSC760536; NSC800846; s2743; ZINC58660483; AKOS005266645; AKOS030257531; ZINC100015733; ZINC117704832; CCG-268947; CS-0919; DB11974; NSC-760536; NSC-800846; SB20066; NCGC00346659-01; NCGC00381752-02; NCGC00381752-06; AC-28429; AS-17042; HY-15177; SMR004702782; BCP0726000275; PF4691502; SW220185-1; X7464; US8633204, 286; J-000360; PF-04691502, >=98% (HPLC); Q27088316; 2-Amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methyl-pyrido[2,3-d]pyrimidin-7(8H)-one; Pyrido(2,3-d)pyrimidin-7(8H)-one, 2-amino-8-(trans-4-(2-hydroxyethoxy)cyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methyl-; trans-2-Amino-8-((1R,4R)-4-(2-hydroxyethoxy)cyclohexyl)-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB11974	.	.	425.5	6	C22H27N5O4	124	654	1.6	31	2	8	CC1=C2C=C(C(=O)N(C2=NC(=N1)N)C3CCC(CC3)OCCO)C4=CN=C(C=C4)OC	"InChI=1S/C22H27N5O4/c1-13-17-11-18(14-3-8-19(30-2)24-12-14)21(29)27(20(17)26-22(23)25-13)15-4-6-16(7-5-15)31-10-9-28/h3,8,11-12,15-16,28H,4-7,9-10H2,1-2H3,(H2,23,25,26)"	XDLYKKIQACFMJG-UHFFFAOYSA-N
DG01548	Momelotinib	25062766	"Cyt387; 1056634-68-4; MOMELOTINIB; Cyt-387; CYT 387; N-(Cyanomethyl)-4-(2-((4-morpholinophenyl)amino)pyrimidin-4-yl)benzamide; CYT 11387; UNII-6O01GMS00P; N-(cyanomethyl)-4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide; Momelotinib (CYT387); N-(cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]benzamide; 6O01GMS00P; CHEMBL1078178; CYT11387; N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide; N-(Cyanomethyl)-4-(2-((4-morpholinophenyl)-amino)pyrimidin-4-yl)benzamide; CYT-11387; MFCD16038899; GS-0387; LM-1149; N-(Cyanomethyl)-4-(2-((4-(morpholin-4-yl)phenyl)amino)pyrimidin-4-yl)benzamide; N-(cyanomethyl)-4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)benzamide; Benzamide, N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)-; Momelotinib [USAN:INN]; momelotinibum; benzamide, n-(cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]-; C87; Momelotinib (USAN/INN); MLS006011154; GTPL7791; SCHEMBL2237234; CHEBI:91407; AOB4616; EX-A260; QCR-259; SYN1035; HMS3244K19; HMS3244K20; HMS3244L19; HMS3295I01; HMS3655D12; HMS3744C15; BCP02328; CYT-0387; CYT387, CYT11387; CYT387,CYT 11387; Momelotinib (CYT387,CYT-387); BDBM50311017; NSC767598; NSC800800; s2219; ZINC43199890; AKOS015904624; N-(Cyanomethyl)-4-[2-[(4-morpholinophenyl)amino]-4-pyrimidinyl]benzamide; BCP9000570; CCG-264946; CS-0053; DB11763; LS41099; NSC-767598; NSC-800800; SB14602; NCGC00244257-01; NCGC00244257-08; AC-23162; AS-19389; HY-10961; SMR004702928; SY060668; FT-0755949; SW219679-1; X7506; D10315; A857769; Q252602; J-001468; J-523159; BRD-K87737963-001-01-1; N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzamide; N-(cyanomethyl)-4-[2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]benzamide; N-(cyanomethyl)-4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzamide; Benzamide,N-(cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]-; N-(Cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]benzamide;CYT387"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:91407	DB11763	DR1880	.	414.5	6	C23H22N6O2	103	615	2.6	31	2	7	C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#N	"InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)"	ZVHNDZWQTBEVRY-UHFFFAOYSA-N
DG01549	AZ960	25099184	"905586-69-8; AZ 960; AZ-960; AZ960; UNII-M63IS9PTJF; (S)-5-Fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile; M63IS9PTJF; (S)-5-fluoro-2-((1-(4-fluorophenyl)ethyl)amino)-6-((5-methyl-1H-pyrazol-3-yl)amino)nicotinonitrile; CHEMBL1774055; 5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile; C18H16F2N6; 5-Fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-pyridinecarbonitrile; 5-fluoro-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile; MLS006011063; GTPL8476; SCHEMBL14840365; DTXSID60238201; SYN1015; BCPP000371; BCP27683; EX-A1802; AZ 960;AZ960; BDBM50343725; s2214; ZINC43205072; AKOS027420925; BCP9000348; CCG-268082; CS-6209; NCGC00346581-01; NCGC00346581-02; NCGC00346581-04; NCGC00346581-06; 3-Pyridinecarbonitrile, 5-fluoro-2-(((1S)-1-(4-fluorophenyl)ethyl)amino)-6-((5-methyl-1H-pyrazol-3-yl)amino)-; AC-32981; AS-74896; HY-10411; SMR004702855; SW219623-1; X7504; A19389; C77068; 586F698; J-502242; Q27074679; (R)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile; (S)-5-Fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino) nicotinonitrile; (S)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile;AZ 960"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	354.4	5	C18H16F2N6	89.4	503	4.4	26	3	7	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	"InChI=1S/C18H16F2N6/c1-10-7-16(26-25-10)23-18-15(20)8-13(9-21)17(24-18)22-11(2)12-3-5-14(19)6-4-12/h3-8,11H,1-2H3,(H3,22,23,24,25,26)/t11-/m0/s1"	SUNXHXDJOIXABJ-NSHDSACASA-N
DG01550	Poziotinib	25127713	"Poziotinib; 1092364-38-9; UNII-OEI6OOU6IK; HM781-36B; NOV120101; NOV-120101; 1-[4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one; OEI6OOU6IK; 1-(4-((4-((3,4-dichloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)piperidin-1-yl)prop-2-en-1-one; HM-781-36B; 1-[4-[[4-[(3,4-Dichloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-2-propen-1-one; MFCD28044290; HM 781-36B; HM-781-36; 2-Propen-1-one, 1-[4-[[4-[(3,4-dichloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-; 1-(4-(4-(3,4-dichloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)piperidin-1-yl)prop-2-en-1-one; Poziotinib [INN]; 1-[4-({4-[(3,4-DICHLORO-2-FLUOROPHENYL)AMINO]-7-METHOXYQUINAZOLIN-6-YL}OXY)PIPERIDIN-1-YL]PROP-2-EN-1-ONE; HM-78136B; Poziotinib [USAN]; C23H21Cl2FN4O3; Poziotinib (HM781-36B); GTPL7903; SCHEMBL3391764; CHEMBL3545154; DTXSID80148853; EX-A528; HMS3673K03; AMY24248; BCP08270; NOV-1201; WHO 9736; BDBM50468247; NSC783296; NSC800856; s7358; ZINC95930125; AKOS026674078; CCG-264748; CS-3942; DB12114; NOV 120101; NSC-783296; NSC-800856; SB16882; NCGC00386427-01; NCGC00386427-02; AC-29021; AS-74851; BP161454; DA-47945; HY-15730; SY235762; HM 781-36; B5827; FT-0752903; A13044; J-690026; Q27088426; 1-[4-[4-(3,4-Dichloro-2-fluorophenylamino)-7-methoxyquinazoline-6-yloxy]-1-piperidinyl]-2-propene-1-one"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB12114	.	.	491.3	6	C23H21Cl2FN4O3	76.6	684	5.4	33	1	7	COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=C(C=C3)Cl)Cl)F)OC4CCN(CC4)C(=O)C=C	"InChI=1S/C23H21Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h3-5,10-13H,1,6-9H2,2H3,(H,27,28,29)"	LPFWVDIFUFFKJU-UHFFFAOYSA-N
DG01551	Omipalisib	25167777	"Omipalisib; 1086062-66-9; GSK2126458; GSK-2126458; GSK 2126458; 2,4-difluoro-N-(2-methoxy-5-(4-(pyridazin-4-yl)quinolin-6-yl)pyridin-3-yl)benzenesulfonamide; 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide; UNII-1X8F5A3NA0; 2,4-Difluoro-N-[2-methoxy-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl]benzenesulfonamide; 1X8F5A3NA0; Omipalisib (GSK2126458, GSK458); C25H17F2N5O3S; 2,4-difluoro-N-(2-(methyloxy)-5-(4-(4-pyridazinyl)-6-quinolinyl)-3-pyridinyl)benzenesulfonamide; GSK-212; Omipalisib [USAN:INN]; GSK458; GSK 212; 2,4-difluoro-N-{2-(methyloxy)-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl}benzenesulfonamide; Omipalisib (USAN/INN); MLS006011258; Omipalisib; GSK2126458; SCHEMBL623194; GTPL8974; Omipalisib (GSK2126458); CHEMBL1236962; CHEBI:95093; DTXSID10148604; EX-A003; GSK-458; SYN1126; 3l08; HMS3656D09; AOB87781; BCP02252; BDBM50145416; MFCD16038929; NSC764092; NSC800807; s2658; ZINC43208634; AKOS015904655; CCG-264973; CS-0085; DB12703; NSC-764092; NSC-800807; QC-7243; SB16572; NCGC00250408-01; NCGC00250408-05; AC-28458; AS-16266; Benzenesulfonamide, 2,4-difluoro-N-(2-methoxy-5-(4-(4-pyridazinyl)-6-quinolinyl)-3-pyridinyl)-; GSK2126458 (GSK458); HY-10297; SMR004703011; FT-0669061; SW219502-1; X7449; A25172; D10718; GSK-2126458;GSK 2126458; Omipalisib; J-507217; Q27088179; N-[2-Methoxy-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl]benzenesulfonamide; ZIG"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:95093	DB12703	.	.	505.5	6	C25H17F2N5O3S	115	833	3.3	36	1	10	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	"InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3"	CGBJSGAELGCMKE-UHFFFAOYSA-N
DG01552	Tepotinib	25171648	"Tepotinib; 1100598-32-0; EMD-1214063; EMD 1214063; MSC2156119J; UNII-1IJV77EI07; EMD1214063; MSC2156119; 1IJV77EI07; 3-[1-[[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile; Tepotinib (EMD 1214063); MSC-2156119J; MSC-2156119; 3-(1-(3-(5-((1-methylpiperidin-4-yl)methoxy)pyrimidin-2-yl)benzyl)-6-oxo-1,6-dihydropyridazin-3-yl)benzonitrile; Benzonitrile, 3-[1,6-dihydro-1-[[3-[5-[(1-methyl-4-piperidinyl)methoxy]-2-pyrimidinyl]phenyl]methyl]-6-oxo-3-pyridazinyl]-; C29H28N6O2; Tepotinib [INN]; 3-[1-(3-{5-[(1-Methylpiperidin-4-Yl)methoxy]pyrimidin-2-Yl}benzyl)-6-Oxo-1,6-Dihydropyridazin-3-Yl]benzonitrile; Benzonitrile, 3-(1,6-dihydro-1-((3-(5-((1-methyl-4-piperidinyl)methoxy)-2-pyrimidinyl)phenyl)methyl)-6-oxo-3-pyridazinyl)-; Tepmetko; Tepotinib [USAN]; Tepotinib (USAN/INN); MLS006010785; GTPL8293; SCHEMBL1296895; Tepotinib(EMD-1214063); CHEMBL3402762; AOB5729; DTXSID70149132; EX-A394; WHO 9934; BDBM50065457; MFCD18452823; NSC758244; NSC781256; NSC800945; s7067; ZINC43202335; CCG-269632; CS-0647; DB15133; NSC-758244; NSC-781256; NSC-800945; SB16609; compound 22 [PMID: 25736998]; NCGC00345793-01; NCGC00345793-08; AS-16915; Benzonitrile, 3-[1,6-Dihydro-1-[[3-[5-[(1-Methyl-4-Piperidinyl)Methoxy]-2-PyriMidinyl]Phenyl]Methyl]-6-Oxo-3-Pyridazinyl]; HY-14721; QC-11720; SMR004701471; Y0358; D11717; J-002366; Q27088961; 1100598-30-8; 3-(1-(3-(5-((1-Methyl-4-piperidinyl)methoxy)-2-pyrimidinyl)benzyl)-6-oxo-1,6-dihydro-3-pyridazinyl)benzonitrile; 3-(1-{3-[5-(1-methylpiperidin-4-yl-methoxy)pyrimidin-2-yl]benzyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzonitrile; 3-(1-{3-[5-(1-methylpiperidin-4-ylmethoxy)pyrimidin-2-yl]benzyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzonitrile; 3-[1,6-Dihydro-1-[[3-[5-[(1-methyl-4-piperidinyl)methoxy]-2-pyrimidinyl]phenyl]methyl]-6-oxo-3-pyridazinyl]benzonitrile; 3E8"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB15133	.	.	492.6	7	C29H28N6O2	94.7	880	3.4	37	0	7	CN1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N	"InChI=1S/C29H28N6O2/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3"	AHYMHWXQRWRBKT-UHFFFAOYSA-N
DG01553	Glesatinib	25181472	"Glesatinib; 936694-12-1; MG90265gly; UNII-7Q29OXD98N; 7Q29OXD98N; MG90265X; MG90265H9; MG90265; N-((3-fluoro-4-((2-(5-(((2-methoxyethyl)amino)methyl)pyridin-2-yl)thieno[3,2-b]pyridin-7-yl)oxy)phenyl)carbamothioyl)-2-(4-fluorophenyl)acetamide; N-[[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]pyridin-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide; Glesatinib free base; Glesatinib [USAN]; Glesatinib (USAN/INN); SCHEMBL106319; GTPL9133; CHEMBL3989914; EX-A4139; MG-90265X; NSC791059; ZINC113139653; DB06302; NSC-791059; SB19664; compound 10a [PMID: 18434145]; NCGC00483925-01; AC-31426; HY-19642; MG-90265; CS-0016148; D11136; A857537; Q27895580; Benzeneacetamide, 4-fluoro-N-(((3-fluoro-4-((2-(5-(((2-methoxyethyl)amino)methyl)-2-pyridinyl)thieno(3,2-b)pyridin-7-yl)oxy)phenyl)amino)thioxomethyl)-; N-((3-fluoro-4-((2-(5-(((2-methoxyethyl)amino)methyl)pyridin-2-yl)thieno[3,2-b]pyridin-7-yl)oxy)phenyl)carbamothioyl)-2-(4-fluorophenyl)acetamid; N-(3-fluoro-4-(2-(5-((2-methoxyethylamino)methyl)pyridin-2-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-(4-fluorophenyl)acetamide; N-(3-fluoro-4-(2-(5-((2-methoxyethylamino)methyl)pyridin-2-yl)thieno[3,2-b]pyridine-7-yloxy)phenylcarbamothioyl)-2-(4-fluorophenyl)acetamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	DB06302	.	.	619.7	11	C31H27F2N5O3S2	158	902	5.1	43	3	10	COCCNCC1=CN=C(C=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=S)NC(=O)CC5=CC=C(C=C5)F)F	"InChI=1S/C31H27F2N5O3S2/c1-40-13-12-34-17-20-4-8-24(36-18-20)28-16-25-30(43-28)27(10-11-35-25)41-26-9-7-22(15-23(26)33)37-31(42)38-29(39)14-19-2-5-21(32)6-3-19/h2-11,15-16,18,34H,12-14,17H2,1H3,(H2,37,38,39,42)"	YRCHYHRCBXNYNU-UHFFFAOYSA-N
DG01554	Mps1-IN-1	25195352	"Mps1-IN-1; 1125593-20-5; 1-(4-(4-(2-(Isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol; 1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]piperidin-4-ol; 1-(4-((4-((2-(isopropylsulfonyl)phenyl)amino)-1H-pyrrolo[2,3-b]pyridin-6-yl)amino)-3-methoxyphenyl)piperidin-4-ol; 1MPS1-IN-1; 3gfw; MLS003230944; GTPL9271; SCHEMBL4051419; CHEMBL1235786; BDBM36485; CHEBI:91379; DTXSID60649015; AVB59320; BCP27688; 3868AH; ZINC58661129; CS-3776; QC-8177; NCGC00387463-01; NCGC00387463-04; HY-13298; SMR001913509; A925638; J-503190; Q27087728; 1-(3-methoxy-4-{[4-({2-[(1-methylethyl)sulfonyl]phenyl}amino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino}phenyl)piperidin-4-ol; 1-[3-Methoxy-4-({4-[2-(propane-2-sulfonyl)anilino]-1H-pyrrolo[2,3-b]pyridin-6-yl}amino)phenyl]piperidin-4-ol; s22"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	535.7	8	C28H33N5O4S	128	862	5.3	38	4	8	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=CC(=NC3=C2C=CN3)NC4=C(C=C(C=C4)N5CCC(CC5)O)OC	"InChI=1S/C28H33N5O4S/c1-18(2)38(35,36)26-7-5-4-6-23(26)30-24-17-27(32-28-21(24)10-13-29-28)31-22-9-8-19(16-25(22)37-3)33-14-11-20(34)12-15-33/h4-10,13,16-18,20,34H,11-12,14-15H2,1-3H3,(H3,29,30,31,32)"	NMJMRSQTDLRCRQ-UHFFFAOYSA-N
DG01555	Capivasertib	25227436	"AZD5363; capivasertib; 1143532-39-1; AZD-5363; AZD 5363; UNII-WFR23M21IE; (S)-4-AMINO-N-(1-(4-CHLOROPHENYL)-3-HYDROXYPROPYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE; WFR23M21IE; 4-Amino-N-[(1s)-1-(4-Chlorophenyl)-3-Hydroxypropyl]-1-(7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)piperidine-4-Carboxamide; 4-Piperidinecarboxamide, 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-; 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinecarboxamide; C21H25ClN6O2; CHEMBL2325741; cc-638; 4-amino-N-(1-(4-chlorophenyl)-3-hydroxypropyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidine-4-carboxamide; Capivasertib (JAN/USAN); Capivasertib (AZD5363); MLS006011179; SCHEMBL390243; GTPL7709; AZC5363; DTXSID40150710; EX-A285; US10654855, Example 9; BDBM443385; 2241AH; MFCD22628785; NSC764039; NSC782347; NSC799347; s8019; ZINC43204023; AKOS027323693; BCP9000365; CCG-268989; CS-1284; DB12218; NSC-764039; NSC-782347; NSC-799347; NCGC00345795-01; NCGC00345795-04; AC-32685; HY-15431; SMR004702948; BCP0726000111; A1387; SW220158-1; D11371; J-514447; Q27074756; 0XZ; ALTERNATIVE ROUTE 1: (S)-4-AMINO-N-(1-(4-CHLOROPHENYL)-3-HYDROXYPROPYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB12218	.	.	428.9	6	C21H25ClN6O2	120	580	1.7	30	4	6	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	"InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m0/s1"	JDUBGYFRJFOXQC-KRWDZBQOSA-N
DG01556	Apitolisib	25254071	"Apitolisib; 1032754-93-0; GDC-0980; GDC0980; RG7422; GNE 390; (S)-1-(4-((2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-hydroxypropan-1-one; GDC-0980 (Apitolisib); UNII-1C854K1MIJ; RG 7422; GDC-0980 (RG7422); GDC 0980; 1C854K1MIJ; CHEMBL1922094; Apitolisib (GDC-0980, RG7422); RG-7422; (2s)-1-(4-{[2-(2-Aminopyrimidin-5-Yl)-7-Methyl-4-(Morpholin-4-Yl)thieno[3,2-D]pyrimidin-6-Yl]methyl}piperazin-1-Yl)-2-Hydroxypropan-1-One; C23H30N8O3S; (2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one; (S)-1-(4-((2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-hydroxypropan-1-one.; GNE 390; GDC 0980; RG 7422; Apitolisib [USAN:INN]; Apitolisib (USAN/INN); Apitolisib(GDC-0980); Gne-390; Apitolisib (GDC-0980); SCHEMBL466297; GTPL7888; DTXSID50145738; EX-A041; QCR-182; SYN1150; AOB87742; BCP02622; BDBM50358204; GDC-0980,RG7422; GDC0980(RG7422); MFCD20274520; NSC764091; NSC799334; s2696; ZINC59224388; AKOS027250725; BCP9000717; CCG-269678; CS-0590; DB12180; GDC-0980.1; NSC-764091; NSC-799334; GDC-0980 - RG7422; NCGC00263109-03; NCGC00263109-13; (S)-1-(4-((2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperaz; AS-16289; HY-13246; SW219472-1; X7458; D10543; CAS:1032754-93-0;GDC-0980; G-038390; GDC-0980,CAS:1032754-93-0; J-502360; Q27074481; G-038390.1; (S)-1-[4-[[2-(2-Aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1 -one"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB12180	.	.	498.6	5	C23H30N8O3S	162	715	0.2	35	2	11	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	"InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1"	YOVVNQKCSKSHKT-HNNXBMFYSA-N
DG01557	WYE-125132	25260757	"1144068-46-1; WYE-125132; WYE125132; WYE-132; N-[4-[1-(1,4-Dioxaspiro[4.5]dec-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-N'-methylurea; WYE 125132; CHEMBL601661; WYE-125132 (WYE-132); 1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-methylurea; 1-[4-(1-{1,4-dioxaspiro[4.5]decan-8-yl}-4-{8-oxa-3-azabicyclo[3.2.1]octan-3-yl}pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]-3-methylurea; N-[4-[1-(1,4-Dioxaspiro[4.5]dec-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]-oct-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-N'-methylurea; 1-[4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-methylurea; SCHEMBL54355; MLS006011010; WYE132; CHEBI:91364; DTXSID70649521; HMS3265K19; HMS3265K20; HMS3265L19; HMS3265L20; HMS3656J09; AOB87378; BCP02227; EX-A2183; BDBM50306633; s2661; AKOS025405223; CCG-269851; CS-0066; SB19261; NCGC00346635-01; NCGC00346635-10; AC-31521; HY-10044; SMR004702808; Urea, N-[4-[1-(1,4-dioxaspiro[4.5]dec-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-1H-pyrazolo[3,4-d]; WYE-132; WYE-125132; SW219487-1; WYE-125132 - WYE-132; A25638; J-003090; J-523341; BRD-A45498368-001-02-2; Q27163233; 1-[4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-pyrazolo[3,4-d]pyrimidinyl]phenyl]-3-methylurea; N-[1-(1.4-dioxaspiro[4.5]dec-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-1H-pyrazolo[3.4-d]pyrimidin-6-yl]phenyl]-N-methyl-urea; N-{4-[1-(1,4-Dioxaspiro[4.5]decan-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl}-N'-methylurea"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	519.6	4	C27H33N7O4	116	829	2.2	38	2	8	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	"InChI=1S/C27H33N7O4/c1-28-26(35)30-18-4-2-17(3-5-18)23-31-24(33-15-20-6-7-21(16-33)38-20)22-14-29-34(25(22)32-23)19-8-10-27(11-9-19)36-12-13-37-27/h2-5,14,19-21H,6-13,15-16H2,1H3,(H2,28,30,35)"	QLHHRYZMBGPBJG-UHFFFAOYSA-N
DG01558	II-B08	25262527	"1143579-78-5; II-B08; CHEMBL590043; 3-(1-(3-([1,1'-Biphenyl]-4-ylamino)-3-oxopropyl)-1H-1,2,3-triazol-4-yl)-6-hydroxy-1-methyl-2-phenyl-1h-indole-5-carboxylic acid; 3-{1-[3-(biphenyl-4-ylamino)-3-oxopropyl]-1H-1,2,3-triazol-4-yl}-6-hydroxy-1-methyl-2-phenyl-1H-indole-5-carboxylic acid; 3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3-triazol-4-yl)-6-hydroxy-1-methyl-2-phenyl-1H-indole-5-carboxylic Acid; SCHEMBL13883165; II- B08; BDBM50308158; MFCD32645102; F51980; Q27461817; 3-(1-(3-([1,1'-BiPh]-4-ylamino)-3-oxopropyl)-1H-1,2,3-triazol-4-yl)-6-hydroxy-1-methyl-2-Ph-1H-indole-5-carboxylic acid; 6-hydroxy-1-methyl-3-[1-[3-oxo-3-(4-phenylanilino)propyl]triazol-4-yl]-2-phenylindole-5-carboxylic acid; JZG"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	557.6	8	C33H27N5O4	122	916	5.2	42	3	6	CN1C2=CC(=C(C=C2C(=C1C3=CC=CC=C3)C4=CN(N=N4)CCC(=O)NC5=CC=C(C=C5)C6=CC=CC=C6)C(=O)O)O	"InChI=1S/C33H27N5O4/c1-37-28-19-29(39)26(33(41)42)18-25(28)31(32(37)23-10-6-3-7-11-23)27-20-38(36-35-27)17-16-30(40)34-24-14-12-22(13-15-24)21-8-4-2-5-9-21/h2-15,18-20,39H,16-17H2,1H3,(H,34,40)(H,41,42)"	RATFAFAWIWHLMR-UHFFFAOYSA-N
DG01559	ER2	42626654	ER2	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	355.7	0	Fe4H4S4-4	4	8	.	8	4	4	[SH-].[SH-].[SH-].[SH-].[Fe].[Fe].[Fe].[Fe]	InChI=1S/4Fe.4H2S/h;;;;4*1H2/p-4	PTTXNOSMDBWCQD-UHFFFAOYSA-J
DG01560	ALW-II-41-27	42628503	"ALW-II-41-27; 1186206-79-0; N-(5-((4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)carbamoyl)-2-methylphenyl)-5-(thiophen-2-yl)nicotinamide; ALW II-41-27; Benzamide, N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[[5-(2-thienyl)-3-pyridinyl]carbonyl]amino]-; N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]-5-thiophen-2-ylpyridine-3-carboxamide; MLS002232274; CHEMBL556140; SCHEMBL20136698; DTXSID80655254; BDBM163701; HMS2043H01; HMS2218G07; HMS3333E20; BCP26205; EX-A2618; s6515; ZINC42966573; Eph receptor tyrosine kinase inhibitor; CS-1203; NCGC00390558-01; AS-78559; BA164807; HY-18007; SMR001307828; A907856; N-[5-({4-[(4-Ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}carbamoyl)-2-methylphenyl]-5-(thiophen-2-yl)pyridine-3-carboxamide; N-[5-({4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}carbamoyl)-2-methylphenyl]-5-(thiophen-2-yl)pyridine-3-carboxamide (6)"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	607.7	8	C32H32F3N5O2S	106	933	5.1	43	2	9	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)NC(=O)C4=CN=CC(=C4)C5=CC=CS5)C(F)(F)F	"InChI=1S/C32H32F3N5O2S/c1-3-39-10-12-40(13-11-39)20-23-8-9-26(17-27(23)32(33,34)35)37-30(41)22-7-6-21(2)28(16-22)38-31(42)25-15-24(18-36-19-25)29-5-4-14-43-29/h4-9,14-19H,3,10-13,20H2,1-2H3,(H,37,41)(H,38,42)"	HYWXBDQAYLPMIX-UHFFFAOYSA-N
DG01561	CCT196969	42628843	"CCT196969; 1163719-56-9; 1-(3-(tert-butyl)-1-phenyl-1H-pyrazol-5-yl)-3-(2-fluoro-4-((3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yl)oxy)phenyl)urea; CHEMBL4216588; 1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea; GTPL9815; SCHEMBL3761639; BCP19551; EX-A1598; BDBM50457449; MFCD28384201; s7743; ZINC43205799; AKOS027422849; CCG-269799; CCT-196969; CS-6229; HY-12846; 1-(3-(t-Butyl)-1-phenyl-1H-pyrazol-5-yl)-3-(2-fluoro-4-((3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yl)oxy)phenyl)urea; 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-fluoro-4-(3-oxo-3,4-dihydropyrido[3,2-b]pyrazin-8-yloxy)phenyl)urea"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	513.5	6	C27H24FN7O3	123	877	4.2	38	3	7	CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C(=NC=C3)NC(=O)C=N4)F)C5=CC=CC=C5	"InChI=1S/C27H24FN7O3/c1-27(2,3)21-14-22(35(34-21)16-7-5-4-6-8-16)32-26(37)31-19-10-9-17(13-18(19)28)38-20-11-12-29-25-24(20)30-15-23(36)33-25/h4-15H,1-3H3,(H,29,33,36)(H2,31,32,37)"	KYYKGSDLXXKQCR-UHFFFAOYSA-N
DG01562	A66	42636535	"1166227-08-2; A66; A 66; (S)-N1-(2-(tert-butyl)-4'-methyl-[4,5'-bithiazol]-2'-yl)pyrrolidine-1,2-dicarboxamide; CHEMBL3218581; C17H23N5O2S2; A-66; (2S)-1-N-[5-(2-tert-butyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide; (2S)-N1-[2-(tert-Butyl)-4'-methyl[4,5'-bithiazol]-2'-yl]-1,2-pyrrolidinedicarboxamide; MLS006010983; SCHEMBL14833311; CHEBI:91449; AOB2329; DTXSID80655299; BCPP000449; BCP03474; EX-A1124; BDBM50042922; s2636; ZINC43206649; AKOS025293511; BA41291; BCP9000211; CCG-268577; CS-0477; A66, >=98% (HPLC); AC-33133; AS-74623; HY-13261; SMR004702785; BCP0726000206; A 66; A-66; SW218196-2; X7447; C71541; J-501023; Q27163295; (2S)-N1-(5-(2-tert-butylthiazol-4-yl)-4-methylthiazol-2-yl)pyrrolidine-1,2-dicarboxamide; (2S)-N1-[5-(2-tert-butyl-4-thiazolyl)-4-methyl-2-thiazolyl]pyrrolidine-1,2-dicarboxamide; (S)-N1-(2-tert-butyl-4'-methyl-4,5'-bithiazol-2'-yl)pyrrolidine-1,2-dicarboxamide; (2S)-N~1~-(2-tert-Butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl)pyrrolidine-1,2-dicarboxamide; (2S)-N1-[2-(1,1-Dimethylethyl)-4'-methyl[4,5'-bithiazol]-2'-yl]-1,2-pyrrolidinedicarboxamide; (2S)-N1-[5-(2-TERT-BUTYL-1,3-THIAZOL-4-YL)-4-METHYL-1,3-THIAZOL-2-YL]PYRROLIDINE-1,2-DICARBOXAMIDE; 1,2-Pyrrolidinedicarboxamide, N1-[2-(1,1-dimethylethyl)-4'-methyl[4,5'-bithiazol]-2'-yl]-, (2S)-"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	393.5	4	C17H23N5O2S2	158	556	2.8	26	2	6	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CSC(=N3)C(C)(C)C	"InChI=1S/C17H23N5O2S2/c1-9-12(10-8-25-14(20-10)17(2,3)4)26-15(19-9)21-16(24)22-7-5-6-11(22)13(18)23/h8,11H,5-7H2,1-4H3,(H2,18,23)(H,19,21,24)/t11-/m0/s1"	HBPXWEPKNBHKAX-NSHDSACASA-N
DG01563	Foretinib	42642645	"Foretinib; 849217-64-7; GSK1363089; XL880; EXEL-2880; Foretinib (GSK1363089); XL-880; GSK 1363089; XL 880; GSK089; EXEL 2880; GSK-1363089; UNII-81FH7VK1C4; 81FH7VK1C4; GSK-089; GSK1363089G; 937176-80-2; N-[3-Fluoro-4-[[6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinolinyl]oxy]phenyl]-N'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide; C34H34F2N4O6; 88Z; n-(3-fluoro-4-((6-methoxy-7-(3-(4-morpholinyl)propoxy)-4-quinolinyl)oxy)phenyl)-n'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide; N-(3-Fluoro-4-{[6-Methoxy-7-(3-Morpholin-4-Ylpropoxy)quinolin-4-Yl]oxy}phenyl)-N'-(4-Fluorophenyl)cyclopropane-1,1-Dicarboxamide; N-[3-fluoro-4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; N-(3-Fluoro-4-((6-methoxy-7-(3-(morpholin-4-yl)propoxy)quinolin-4-yl)oxy)phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; N-[3-fluoro-4-({6-(methyloxy)-7-[(3-morpholin-4-ylpropyl)oxy]quinolin-4-yl]oxy)phenyl}-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; N-[3-fluoro-4-({6-(methyloxy)-7-[(3-morpholin-4-ylpropyl)oxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; Foretinib(XL880); xl-880, Foretinib; Foretinib (USAN/INN); Foretinib [USAN:INN]; MLS006010302; SCHEMBL371804; Foretinib - GSK1363089; GTPL5679; QCR-49; CHEMBL1230609; CHEBI:91418; AOB6031; DTXSID20918193; EX-A050; SYN1129; BCPP000236; HMS3295K13; HMS3654G04; BCP02231; BDBM50399540; GSK 1363089G; GSK-1363089G; MFCD16038048; NSC755775; NSC800101; s1111; ZINC43204048; Foretinib,XL880, GSK1363089; AKOS015904319; BCP9000675; CCG-270292; CS-0153; DB12307; NSC-755775; NSC-800101; PB27007; SB20469; Foretinib (GSK1363089, XL880); NCGC00263104-01; NCGC00263104-10; AC-25081; AS-16268; HY-10338; SMR003599144; SW219390-1; W8766; EC-000.2326; A25642; D09618; XL880, GSK1363089G, Exel 2880; J-523004; Q5469311; BRD-K03449891-001-01-1; 1,1-Cyclopropanedicarboxamide, N-(3-fluoro-4-((6-methoxy-7-(3-(4-morpholinyl)propoxy)-4-quinolinyl)oxy)phenyl)-N'-(4-fluorophenyl)-; 1-N'-[3-fluoro-4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinolin-4-yl}oxy)phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; 1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; GSK1363089;EXEL-2880;Foretinib;N-[3-Fluoro-4-[[6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinolinyl]oxy]phenyl]-N'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide;Foretinib; N-(4-(7-(3-MORPHOLINOPROPOXY)-6-METHOXYQUINOLIN-4-YLOXY)-3-FLUOROPHENYL)-N-(4-FLUOROPHENYL)CYCLOPROPANE-1,1-DICARBOXAMIDE; N-[3-fluoro-4-({6-(methyloxy)-7-[(3-morpholin 4-ylpropyl)oxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; N-[3-Fluoro-4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinolin-4-yl}oxy)phenyl]-1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboximidic acid"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:91418	DB12307	.	.	632.7	12	C34H34F2N4O6	111	1010	5.5	46	2	10	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	"InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)"	CXQHYVUVSFXTMY-UHFFFAOYSA-N
DG01564	CCT241161	44132853	"CCT241161; 1163719-91-2; CHEMBL4204895; 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-(methylthio)-4-(3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea; 1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[2-methylsulfanyl-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea; GTPL9814; SCHEMBL3173602; BDBM50457448; CCT241161 pan RAF/SFK inhibitor; AKOS037653304; GS-9003"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	541.6	7	C28H27N7O3S	148	893	4.6	39	3	7	CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C(=NC=C3)NC(=O)C=N4)SC)C5=CC=CC=C5	"InChI=1S/C28H27N7O3S/c1-28(2,3)22-15-23(35(34-22)17-8-6-5-7-9-17)32-27(37)31-19-11-10-18(14-21(19)39-4)38-20-12-13-29-26-25(20)30-16-24(36)33-26/h5-16H,1-4H3,(H,29,33,36)(H2,31,32,37)"	DPMYVVGAYAPQNS-UHFFFAOYSA-N
DG01565	AZD-6482	44137675	"AZD6482; 1173900-33-8; AZD-6482; AZD 6482; (R)-2-(1-(7-methyl-2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl)ethylamino)benzoic acid; CHEMBL2165191; 2-[[(1R)-1-[7-Methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]benzoic acid; UNII-78G6MP5PZ5; 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid; 78G6MP5PZ5; 2-{[(1R)-1-[7-methyl-2-(morpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidin-9-yl]ethyl]amino}benzoic acid; 2-({(1R)-1-[7-Methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl}amino)benzoic acid; 4urk; 2-(((1R)-1-(7-Methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl)ethyl)amino)benzoic acid; 2-{[(1R)-1-[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino}benzoic acid; 2-[[(1r)-1-(7-Methyl-2-Morpholin-4-Yl-4-Oxidanylidene-Pyrido[1,2-A]pyrimidin-9-Yl)ethyl]amino]benzoic Acid; MLS006010986; GTPL8059; SCHEMBL1812377; CHEBI:91359; AOB3536; DTXSID00657619; KIN 193; KIN-193; AZD 6482 [WHO-DD]; ACT06822; EX-A1807; 2243AH; BDBM50395821; MFCD16659062; NSC799349; s1462; ZINC38628584; AKOS015935014; BCP9000355; CCG-268743; CS-0086; DB14980; NSC-799349; NCGC00263154-01; AC-32792; AS-74808; HY-10344; SMR004702788; SW219187-1; J-507622; BRD-K58772419-001-01-3; Q27074771; (-) 2-{[(1R)-1-(7-Methyl-2-morpholin-4-yl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino}benzoic acid; (-)-2-[[(1R)-1-[7-Methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]benzoic acid; (R)-2-((1-(7-Methyl-2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl)ethyl)amino)benzoic acid; 2-[[(1R)-1-[7-methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1.2-a]pyrimidin-9-yl]ethyl]amino]-benzoic acid; Benzoic acid, 2-[[(1R)-1-[7-methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]-"	Terminated	10	Discontinued Drug(s)	Terminated	Small molecular drug	.	CHEBI:91359	DB14980	.	.	408.4	5	C22H24N4O4	94.5	838	2	30	2	7	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	"InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1"	IRTDIKMSKMREGO-OAHLLOKOSA-N
DG01566	Refametinib	44182295	"Refametinib; 923032-37-5; RDEA119; RDEA 119; BAY 869766; UNII-JPX07AFM0N; (S)-N-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide; JPX07AFM0N; Refametinib (RDEA119); BAY-869766; BAY 8697661; Refametinib (RDEA119, Bay 86-9766); N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide; Refametinib R enantiomer; Refametinib [INN]; BAY 86-9766; RDEA-119; 3e8n; BAY 86-97661; Refametinib; RDEA119; SCHEMBL345333; C19H20F3IN2O5S; GTPL7942; Refametinib (BAY86-9766); CHEMBL1236682; DTXSID40238961; BDBM520650; 923032-38-6; AOB87134; EX-A2481; 2254AH; MFCD18633256; NSC800864; s1089; ZINC39187987; AKOS025401896; BAY86-9766; CCG-270103; CS-1818; DB06309; NSC-800864; BAY 86-9766;RDEA119; BAY-86-9766; BAY-8697661; NCGC00188380-01; NCGC00188380-02; NCGC00188380-03; AC-26962; AS-16994; Cyclopropanesulfonamide, N-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)-6-methoxyphenyl)-1-((2S)-2,3-dihydroxypropyl)-; HY-14691; SW218136-2; J3.661.482J; F51934; US11147816, Refametinib (RDEA119, Bay; Q27088526; BAY 869766;BAY 86-97661;RDEA-119;RDEA119; (S)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide; 923032-36-4; N-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2S)-2,3-dihydroxypropyl]cyclopropanesulfonamide; RDEA-119 S enantiomer; ; ; BAY-86-9766 S enantiomer; ; ; N-[3,4-Difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide; VRA"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB06309	DR1879	.	572.3	9	C19H20F3IN2O5S	116	711	2.8	31	4	10	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	"InChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m0/s1"	RDSACQWTXKSHJT-NSHDSACASA-N
DG01567	Pimasertib	44187362	"Pimasertib; 1236699-92-5; AS703026; AS-703026; Pimasertib (AS-703026); MSC1936369B; AS 703026; UNII-6ON9RK82AL; 1204531-26-9; 6ON9RK82AL; SAR 245509; MSC-1936369; N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodo-anilino)pyridine-4-carboxamide; N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide; C15H15FIN3O3; (S)-N-(2,3-dihydroxypropyl)-3-(2-fluoro-4-iodophenylamino)isonicotinamide; (S)-N-(2,3-dihydroxypropyl)-3-((2-fluoro-4-iodophenyl)amino)isonicotinamide; (S)-N-(2,3-dihydroxypropyl)-3-((2-fluoro-4-iodophenyl)amino)isonicotinamide.; 4-Pyridinecarboxamide, N-((2S)-2,3-dihydroxypropyl)-3-((2-fluoro-4-iodophenyl)amino)-; 4-Pyridinecarboxamide, N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]-; N-((2S)-2,3-dihydroxypropyl)-3-((2-fluoro-4-iodophenyl)amino)pyridine-4-carboxamide; N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide; Pimasertib [USAN:INN]; Pimasertib (USAN/INN); Pimasertib; AS703026; N-[(2S)-2,3-Dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]-4-pyridinecarboxamide; MLS006010177; GTPL7872; QCR-17; SCHEMBL2720659; CHEMBL2107832; CHEBI:94793; DTXSID40152870; EX-A403; SYN1190; BCPP000386; AOB87391; BCP02094; MSC1936369A; BDBM50014412; MSC-1936369A; NSC755763; NSC800854; ZINC38226009; AKOS022186348; BCP9000325; CCG-269018; CS-0198; DB14904; NSC-755763; NSC-800854; EMD 1036239; EMD-1036239; NCGC00346530-01; AC-32862; AS-16324; HY-12042; SMR004701285; AS703026,MSC1936369B; SW219691-1; X7392; C71933; D10426; A857420; J-523298; BRD-K89014967-001-01-9; Q27088393; G-02443714; AS7030261236699-92-5; AS-703026;N-[(2S)-2,3-Dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]-4-pyridinecarboxamide;AS-703026"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:94793	DB14904	DR1835	.	431.2	6	C15H15FIN3O3	94.5	391	1.7	23	4	6	C1=CC(=C(C=C1I)F)NC2=C(C=CN=C2)C(=O)NC[C@@H](CO)O	"InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1"	VIUAUNHCRHHYNE-JTQLQIEISA-N
DG01568	TAK-441	44187367	"TAK-441; 1186231-83-3; UNII-CY3QT94KWP; CY3QT94KWP; CHEMBL2205230; 6-ethyl-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-1-methyl-4-oxo-5-phenacyl-3-(2,2,2-trifluoroethoxy)pyrrolo[3,2-c]pyridine-2-carboxamide; TAK 441; GTPL8200; SCHEMBL1061476; BCP20946; BDBM50401323; NSC771858; ZINC43207688; NSC-771858; SB18887; LM2094; TAK441; TAK 441; Q27088929; 6-ethyl-N-(1-(2-hydroxyacetyl)piperidin-4-yl)-1-methyl-4-oxo-5-(2-oxo-2-phenylethyl)-3-(2,2,2-trifluoroethoxy)-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	576.6	9	C28H31F3N4O6	121	1020	2.6	41	2	9	CCC1=CC2=C(C(=C(N2C)C(=O)NC3CCN(CC3)C(=O)CO)OCC(F)(F)F)C(=O)N1CC(=O)C4=CC=CC=C4	"InChI=1S/C28H31F3N4O6/c1-3-19-13-20-23(27(40)35(19)14-21(37)17-7-5-4-6-8-17)25(41-16-28(29,30)31)24(33(20)2)26(39)32-18-9-11-34(12-10-18)22(38)15-36/h4-8,13,18,36H,3,9-12,14-16H2,1-2H3,(H,32,39)"	ZADWXQMNNVICKB-UHFFFAOYSA-N
DG01569	IWR-1	44483163	"IWR-1-endo; IWR-1; 1127442-82-3; endo-IWR-1; CHEBI:62882; CHEMBL562310; 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide; C25H19N3O3; IWR1-endo; exo-IWR 1; rel-4-((3aR,4S,7R,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(quinolin-8-yl)benzamide; IWR-1 endo; 4tkf; 4-((3aR,4S,7R,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(quinolin-8-yl)benzamide; IRW1; SCHEMBL15315470; EX-A642; BCP05700; ZINC2483738; 1806AH; 2489AH; BDBM50007583; MFCD18086875; NSC756646; CCG-208104; NSC-756646; IWR-1, >=98% (HPLC); HY-12238; rel-4-[(3aR,4S,7R,7aS)-1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-8-quinolinylbenzamide; B2306; C71420; BRD-K61314889-001-01-0; Q27132252; 4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.0{2,6}]dec-8-en-4-yl]-N-(quinolin-8-yl)benzamide; 4-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-quinolin-8-ylbenzamide; Benzamide, 4-[(3aR,4S,7R,7aS)-1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-8-quinolinyl-"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	409.4	3	C25H19N3O3	79.4	772	2.9	31	1	4	C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6	"InChI=1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,20-21H,13H2,(H,27,29)/t16-,17+,20-,21+"	ZGSXEXBYLJIOGF-ALFLXDJESA-N
DG01570	NMS-P715	44556162	"NMS-P715; 1202055-32-0; CHEMBL1236095; N-(2,6-Diethylphenyl)-1-Methyl-8-({4-[(1-Methylpiperidin-4-Yl)carbamoyl]-2-(Trifluoromethoxy)phenyl}amino)-4,5-Dihydro-1h-Pyrazolo[4,3-H]quinazoline-3-Carboxamide; N-(2,6-diethylphenyl)-1-methyl-8-[4-[(1-methylpiperidin-4-yl)carbamoyl]-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide; NMSP715; GTPL9401; NMS P715; SCHEMBL1558596; NMSP715; NMSP 715; BCP28244; NMS P715;NMS-P 715; BDBM50349102; ZINC58649424; CS-3396; compound 15 [PMID: 21723120]; NCGC00390549-01; AC-30241; HY-12382; B5819; FT-0702072; A910501; Q27465504; 1H-Pyrazolo[4,3-h]quinazoline-3-carboxamide, N-(2,6-diethylphenyl)-4,5-dihydro-1-methyl-8-[[4-[[(1-methyl-4-piperidinyl)amino]carbonyl]-2-(trifluoromethoxy)phenyl]amino]-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	676.7	9	C35H39F3N8O3	126	1110	6.2	49	3	11	CCC1=C(C(=CC=C1)CC)NC(=O)C2=NN(C3=C2CCC4=CN=C(N=C43)NC5=C(C=C(C=C5)C(=O)NC6CCN(CC6)C)OC(F)(F)F)C	"InChI=1S/C35H39F3N8O3/c1-5-20-8-7-9-21(6-2)28(20)42-33(48)30-25-12-10-23-19-39-34(43-29(23)31(25)46(4)44-30)41-26-13-11-22(18-27(26)49-35(36,37)38)32(47)40-24-14-16-45(3)17-15-24/h7-9,11,13,18-19,24H,5-6,10,12,14-17H2,1-4H3,(H,40,47)(H,42,48)(H,39,41,43)"	JFOAJUGFHDCBJJ-UHFFFAOYSA-N
DG01571	Merestinib	44603533	"Merestinib; 1206799-15-6; LY2801653; LY-2801653; N-(3-fluoro-4-((1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl)oxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide; UNII-5OGS5K699E; Merestinib (LY2801653); 5OGS5K699E; N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide; N-(3-Fluoro-4-{[1-Methyl-6-(1h-Pyrazol-4-Yl)-1h-Indazol-5-Yl]oxy}phenyl)-1-(4-Fluorophenyl)-6-Methyl-2-Oxo-1,2-Dihydropyridine-3-Carboxamide; C30H22F2N6O3; N-(3-Fluoro-4-(1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yloxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide; N-[3-Fluoro-4-[[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-1,2-dihydro-6-methyl-2-oxo-3-pyridinecarboxamide; Merestinib [USAN]; L1X; Merestinib (USAN/INN); SCHEMBL679002; LY2801653 (Merestinib); GTPL9841; CHEMBL3545307; DTXSID20659635; QCR-139; SYN1222; HMS3741E21; BCP06826; EX-A1264; 3797AH; BDBM50172078; NSC772197; NSC800788; s7014; ZINC95926668; AKOS027323283; CCG-270011; CS-1192; DB12381; NSC-772197; NSC-800788; SB16550; NCGC00378921-02; NCGC00378921-07; 3-Pyridinecarboxamide, N-(3-fluoro-4-((1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl)oxy)phenyl)-1-(4-fluorophenyl)-1,2-dihydro-6-methyl-2-oxo-; AS-16348; DA-21192; HY-15514; FT-0745076; LY 2801653; J3.563.073B; D11763; Q27262653"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB12381	.	.	552.5	6	C30H22F2N6O3	105	1050	4.7	41	2	7	CC1=CC=C(C(=O)N1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C=C5C(=C4)C=NN5C)C6=CNN=C6)F	"InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)"	QHADVLVFMKEIIP-UHFFFAOYSA-N
DG01572	WZ4002	44607530	"WZ4002; 1213269-23-8; WZ-4002; N-(3-(5-chloro-2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)pyrimidin-4-yloxy)phenyl)acrylamide; WZ 4002; UNII-6BQ432Z61M; CHEBI:61400; CHEMBL1229592; 6BQ432Z61M; N-(3-((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)oxy)phenyl)acrylamide; N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide; N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide; SMR001913510; SCHEMBL93699; MLS003230945; MLS006011213; AMY370; GTPL9176; QCR-55; DTXSID30153230; EX-A416; HMS3265O15; HMS3265O16; HMS3265P15; HMS3265P16; HMS3654C16; BCP02515; BDBM50383274; NSC755927; s1173; ZINC52509385; AKOS025401946; CCG-264847; CS-0167; NSC-755927; SB19360; NCGC00263144-01; NCGC00263144-02; NCGC00263144-11; AC-27472; AS-19387; DA-47168; HY-12026; N-(3-((5-chloro-2-((2-methoxy-4-(4-methyl-1-piperazinyl)phenyl)amino)-4-pyrimidinyl)oxy)phenyl)acrylamide; N-[3-[[5-Chloro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide; WZ4002, >=98% (HPLC); FT-0730384; SW219315-1; X7482; EC-000.2280; A25634; J-004480; J-523322; Q27089236; N-(3-(5-chloro-2-(2-methoxy-4-(4-methylpiperazine-1-yl)phenylamino)pyrimidin-4yloxy)phenyl)acrylam; N-[3-[[5-Chloro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide HBr"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	495	8	C25H27ClN6O3	91.8	694	4.2	35	2	8	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC(=C4)NC(=O)C=C)Cl)OC	"InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)"	ITTRLTNMFYIYPA-UHFFFAOYSA-N
DG01573	DS-7423	45378170	"DS-7423; 5-{8-[(3R)-4-Acetyl-3-methylpiperazin-1-yl]-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)-9H-purin-2-yl}pyrimidin-2-amine; SCHEMBL336466; HY-124036; CS-0084006"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	520.5	4	C22H27F3N10O2	131	795	0.9	37	1	13	C[C@@H]1CN(CCN1C(=O)C)C2=NC3=C(N2CC(F)(F)F)N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N	"InChI=1S/C22H27F3N10O2/c1-13-11-33(3-4-34(13)14(2)36)21-29-16-18(32-5-7-37-8-6-32)30-17(15-9-27-20(26)28-10-15)31-19(16)35(21)12-22(23,24)25/h9-10,13H,3-8,11-12H2,1-2H3,(H2,26,27,28)/t13-/m1/s1"	SOJJMSYMCLIQCZ-CYBMUJFWSA-N
DG01574	TAK-632	46209401	"TAK-632; 1228591-30-7; TAK632; N-(7-cyano-6-(4-fluoro-3-(2-(3-(trifluoromethyl)phenyl)acetamido)phenoxy)benzo[d]thiazol-2-yl)cyclopropanecarboxamide; N-{7-Cyano-6-[4-Fluoro-3-({[3-(Trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-Benzothiazol-2-Yl}cyclopropanecarboxamide; N-[7-CYANO-6-(4-FLUORO-3-{2-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDO}PHENOXY)-1,3-BENZOTHIAZOL-2-YL]CYCLOPROPANECARBOXAMIDE; N-[7-cyano-6-[4-fluoro-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide; C27H18F4N4O3S; 4ksp; 1SU; N-[7-Cyano-6-[4-fluoro-3-[[[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide; SCHEMBL823682; CHEMBL3125890; BDBM99471; GTPL10387; EX-A242; SYN1203; TAK 632; CHEBI:167673; HMS3653M08; HMS3673M07; AOB87729; BCP08426; TAK 632; TAK 632; 2742AH; MFCD26960965; NSC778809; s7291; ZINC68208189; AKOS025405225; CCG-270021; CS-1697; NSC-778809; compound 8B [PMID: 23906342]; NCGC00371156-09; AS-16332; DA-47029; HY-15767; QC-10896; FT-0700129; SW219895-1; US8497274, 32; A890929; J-690078; Q27452417; Benzeneacetamide, N-[5-[[7-cyano-2-[(cyclopropylcarbonyl)amino]-6-benzothiazolyl]oxy]-2-fluorophenyl]-3-(trifluoromethyl)-; N-[5-[[7-cyano-2-[(cyclopropylcarbonyl)amino]-6-benzothiazolyl]oxy]-2-fluorophenyl]-3-(trifluoromethyl)-benzeneacetamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	554.5	7	C27H18F4N4O3S	132	957	5.3	39	2	10	C1CC1C(=O)NC2=NC3=C(S2)C(=C(C=C3)OC4=CC(=C(C=C4)F)NC(=O)CC5=CC(=CC=C5)C(F)(F)F)C#N	"InChI=1S/C27H18F4N4O3S/c28-19-7-6-17(12-21(19)33-23(36)11-14-2-1-3-16(10-14)27(29,30)31)38-22-9-8-20-24(18(22)13-32)39-26(34-20)35-25(37)15-4-5-15/h1-3,6-10,12,15H,4-5,11H2,(H,33,36)(H,34,35,37)"	OJFKUJDRGJSAQB-UHFFFAOYSA-N
DG01575	Gandotinib	46213929	"GANDOTINIB; 1229236-86-5; LY2784544; LY 2784544; LY-2784544; UNII-ANC71R916O; Gandotinib (LY2784544); 3-(4-chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholinomethyl)imidazo[1,2-b]pyridazin-6-amine; ANC71R916O; 3-(4-chloro-2-fluorobenzyl)-2-methyl-N-(3-methyl-1H-pyrazol-5-yl)-8-(morpholinomethyl)imidazo[1,2-b]pyridazin-6-amine; C23H25ClFN7O; 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine; Gandotinib [USAN:INN]; LY2784544(Gandotinib); Gandotinib (USAN); LY2784544;Gandotinib; Gandotinib(LY2784544); Gandotinib; LY2784544; 3-[(4-Chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)imidazo[1,2-b]pyridazin-6-amine; GTPL7909; SCHEMBL2513132; CHEMBL2107823; SCHEMBL15458955; DTXSID20153789; SYN1196; CHEBI:188757; HMS3655L06; HMS3750I09; AOB87108; BCP02309; EX-A1114; MFCD20482143; NSC764820; s2179; ZINC68245097; AKOS026673949; AKOS037643413; BCP9000875; CCG-269448; CS-0426; DB13040; NSC-764820; QC-8978; SB13346; NCGC00345461-02; NCGC00345461-08; 3-((4-Chloro-2-fluorophenyl)methyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8- (morpholin-4-ylmethyl)imidazo(1,2-b)pyridazin-6-amine; 3-(4-Chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8- (morpholinomethyl)imidazo(1,2-b)pyridazin-6-amine; AC-32810; AS-16329; HY-13034; Imidazo(1,2-b)pyridazin-6-amine, 3-((4-chloro-2-fluorophenyl)methyl)-2-methyl-N-(5- methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)-; FT-0700131; SW219960-1; X7498; A25226; D10365; J-511428; Q27077770; 3-[(4-chloro-2-luorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine; Gandotinib;3-(4-chloro-2-fluorobenzyl)-2-methyl-N-(3-methyl-1H-pyrazol-5-yl)-8-(morpholinomethyl)imidazo[1,2-b]pyridazin-6-amine; Imidazo[1,2-b]pyridazin-6-amine, 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)-"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB13040	.	.	469.9	6	C23H25ClFN7O	83.4	644	3.8	33	2	7	CC1=CC(=NN1)NC2=NN3C(=C(N=C3C(=C2)CN4CCOCC4)C)CC5=C(C=C(C=C5)Cl)F	"InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)"	SQSZANZGUXWJEA-UHFFFAOYSA-N
DG01576	Derazantinib	46834118	"Derazantinib; 1234356-69-4; ARQ-087; ARQ087; UNII-N9B0H171MJ; N9B0H171MJ; ARQ 087; (6R)-6-(2-fluorophenyl)-N-(3-{2-[(2-methoxyethyl)amino]ethyl}phenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine; Benzo[h]quinazolin-2-amine, 6-(2-fluorophenyl)-5,6-dihydro-N-[3-[2-[(2-methoxyethyl)amino]ethyl]phenyl]-, (6R)-; Benzo(H)quinazolin-2-amine, 6-(2-fluorophenyl)-5,6-dihydro-N-(3-(2-((2-methoxyethyl)amino)ethyl)phenyl)-, (6R)-; Derazantinib [USAN]; Derazantinib(ARQ-087); Derazantinib (ARQ 087); GTPL9785; CHEMBL4297187; SCHEMBL13273847; ARQ-087ARQ-087; AMY16754; BCP29103; EX-A1717; s8609; WHO 10488; AKOS037648596; CS-7922; DB14889; AC-30343; BS-14785; HY-19981; A16825; C71924; (6R)-6-(2-fluorophenyl)-5,6-dihydro-N-[3-[2-[(2-methoxyethyl)amino]ethyl]phenyl]-Benzo[h]quinazolin-2-amine; (R)-6-(2-fluorophenyl)-N-(3-(2-((2-methoxyethyl)amino)ethyl)phenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB14889	.	.	468.6	9	C29H29FN4O	59.1	638	5.3	35	2	6	COCCNCCC1=CC(=CC=C1)NC2=NC=C3C[C@H](C4=CC=CC=C4C3=N2)C5=CC=CC=C5F	"InChI=1S/C29H29FN4O/c1-35-16-15-31-14-13-20-7-6-8-22(17-20)33-29-32-19-21-18-26(24-10-4-5-12-27(24)30)23-9-2-3-11-25(23)28(21)34-29/h2-12,17,19,26,31H,13-16,18H2,1H3,(H,32,33,34)/t26-/m1/s1"	KPJDVVCDVBFRMU-AREMUKBSSA-N
DG01577	Flumatinib	46848036	"Flumatinib; 895519-90-1; HHGV678; HH-GV678; Flumatinib free base; flumbatinib; UNII-R4009Y24AI; HHGV-678; R4009Y24AI; 895519-90-1 (free base); 4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridin-3-yl]-3-(trifluoromethyl)benzamide; HHGV678 mesylate; BenzaMide, 4-[(4-Methyl-1-piperazinyl)Methyl]-N-[6-Methyl-5-[[4-(3-pyridinyl)-2-pyriMidinyl]aMino]-3-pyridinyl]-3-(trifluoroMethyl)-; N-(6-methyl-5-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)pyridin-3-yl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamide; HH-GV-678; Hansoh Xinfu; flumatinib (pseudo INN); GTPL9913; SCHEMBL4883843; CHEMBL3545413; DTXSID60237779; BCP23797; EX-A3572; VKB51990; BDBM50529313; NSC830368; ZINC68244727; CS-5550; DB11904; NSC-830368; SB17192; NCGC00378614-01; 4-(4-Methylpiperazin-1-ylmethyl)-N-(6-methyl-5-(4-pyridin-3-ylpyrimidin-2-ylamino)pyridin-3-yl)-3-trifluoromethylbenzamide; DA-33625; HY-13904; FT-0739882; Q27287759; N-[5-[[4-(3-Pyridinyl)pyrimidine-2-yl]amino]-6-methylpyridine-3-yl]-3-(trifluoromethyl)-4-[(4-methylpiperazine-1-yl)methyl]benzamide"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB11904	.	.	562.6	7	C29H29F3N8O	99.2	841	3.4	41	2	11	CC1=C(C=C(C=N1)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5	"InChI=1S/C29H29F3N8O/c1-19-26(38-28-34-9-7-25(37-28)21-4-3-8-33-16-21)15-23(17-35-19)36-27(41)20-5-6-22(24(14-20)29(30,31)32)18-40-12-10-39(2)11-13-40/h3-9,14-17H,10-13,18H2,1-2H3,(H,36,41)(H,34,37,38)"	BJCJYEYYYGBROF-UHFFFAOYSA-N
DG01578	NS-018	46866319	"NS-018; ilginatinib; 1239358-86-1; UNII-56R994WX4L; 56R994WX4L; 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine; (S)-N2-(1-(4-fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-(pyrazin-2-yl)pyridine-2,6-diamine; (S)-N2-[1-(4-fluorophenyl)ethyl]-4-(1-methyl-1H-pyrazol-4-yl)-N6-(pyrazin-2-yl)pyridine-2,6-diamine; GTPL7839; CHEMBL4303389; SCHEMBL14954406; NS018; HY-19631A; NS-018NS-018; ZINC68245917; CS-5358; DB12784; A922051; Q27088043; (S)-N-(1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N'-(pyrazin-2-yl)pyridine-2,6-diamine; (S)-N2-[1-(4-fluorophenyl)ethyl]-4-(1-methyl-1H-pyrazol-4-yl)-N6-(pyrazin-2yl)pyridine-2,6-diamine; 2,6-Pyridinediamine, N2-((1S)-1-(4-fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-; N2-[(1S)-1-(4-Fluorophenyl)ethyl]-4-(1-methyl-1H-pyrazol-4-yl)-N6-(pyrazin-2-yl)pyridine-2,6-diamine"	Phase 1/2	8	Clinical Trial Drug(s)	Phase 1/2	Small molecular drug	.	.	DB12784	.	.	389.4	6	C21H20FN7	80.6	501	3.2	29	2	7	C[C@@H](C1=CC=C(C=C1)F)NC2=CC(=CC(=N2)NC3=NC=CN=C3)C4=CN(N=C4)C	"InChI=1S/C21H20FN7/c1-14(15-3-5-18(22)6-4-15)26-19-9-16(17-11-25-29(2)13-17)10-20(27-19)28-21-12-23-7-8-24-21/h3-14H,1-2H3,(H2,24,26,27,28)/t14-/m0/s1"	UQTPDWDAYHAZNT-AWEZNQCLSA-N
DG01579	JQ1	46907787	"1268524-70-4; (+)-JQ1; (+)-JQ-1; JQ1 compound; JQ1; JQ-1; (S)-tert-butyl 2-(4-(4-chlorophenyl)-2,3,9-triMethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate; UNII-1MRH0IMX0W; (S)-JQ1; Bromodomain Inhibitor, (+)-JQ1; 1MRH0IMX0W; C23H25ClN4O2S; CHEMBL1957266; tert-butyl (S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate; (S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate; 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-trimethyl-, 1,1-dimethylethyl ester, (6S)-; 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-trimethyl-, 1,1-dimethylethyl ester, (6S)-; tert-Butyl 2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-6-yl)acetate; (S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-6-yl)acetate; 3mxf; 4flp; 4qzs; (6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid 1,1-dimethylethyl ester; tert-butyl 2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate; MLS006011158; SCHEMBL881227; GTPL7511; CHEBI:95080; DTXSID20155309; EX-A457; SYN3004; CHEBI:137113; BDBM50365262; NSC760183; NSC764043; s7110; ZINC57318556; AKOS016344680; (+)JQ-1; CCG-269306; CS-0581; JQ1 (+); JQ1-(+); NSC-760183; NSC-764043; NCGC00250412-01; NCGC00250412-15; NCGC00250412-21; (S)-tert-butyl 2-(4-(4-chlorophenyl)-2,3,9-triMethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diaz; AC-32617; AS-16352; BP-21590; HY-13030; SMR004702930; BB 0262647; (+)-JQ1, >=98% (HPLC); A854208; Q3156953; (6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]di azepine-6-acetic acid 1,1-dimethylethyl ester; tert-butyl (S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate;(S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate; tert-butyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate; tert-butyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate; tert-butyl[(S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:95080	.	.	.	457	5	C23H25ClN4O2S	97.6	706	4.9	31	0	6	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	"InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1"	DNVXATUJJDPFDM-KRWDZBQOSA-N
DG01580	MPI-0479605	46909588	"MPI-0479605; 1246529-32-7; N6-Cyclohexyl-N2-(2-methyl-4-morpholinophenyl)-9H-purine-2,6-diamine; CHEMBL2047943; MPI0479605; MPI 0479605; 6-N-cyclohexyl-2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine; C22H29N7O; WITJ0018D; MPI-0479605 hydrochloride; GTPL9399; SCHEMBL2946927; US11208696, Example 1; BDBM532282; HMS3653P07; HMS3740O21; BCP27897; EX-A1092; WZB52932; 2574AH; BDBM50386816; MFCD28099811; ZINC68246140; AKOS026750424; AKOS027289040; CCG-268735; CS-4665; SB19447; NCGC00386327-02; NCGC00386327-03; AC-33011; DA-46740; HY-12660; B3706; FT-0699832; S7488; SW220076-1; A14290; n6-cyclohexyl-n2-(2-methyl-4-morpholino-phenyl)-9h-purine-2,6-diamine; N~-6~-cyclohexyl-N~2~-[2-methyl-4-(morpholin-4-yl)phenyl]-9H-purine-2,6-diamine; 9H- Purine- 2, 6- diamine, N6- cyclohexyl- N2- [2- methyl- 4- (4- morpholinyl) phenyl] -"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	407.5	5	C22H29N7O	91	540	4.2	30	3	7	CC1=C(C=CC(=C1)N2CCOCC2)NC3=NC4=C(C(=N3)NC5CCCCC5)NC=N4	"InChI=1S/C22H29N7O/c1-15-13-17(29-9-11-30-12-10-29)7-8-18(15)26-22-27-20-19(23-14-24-20)21(28-22)25-16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)"	OVJBNYKNHXJGSA-UHFFFAOYSA-N
DG01581	VS-5584	46912230	"VS-5584; 1246560-33-7; 5-(9-Isopropyl-8-methyl-2-morpholino-9H-purin-6-yl)pyrimidin-2-amine; SB2343; SB-2343; VS-5584 (SB2343); UNII-W71J4X250V; 5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine; CHEMBL3393066; W71J4X250V; VS5584; 5-[9-Isopropyl-8-methyl-2-(morpholin-4-yl)purin-6-yl]pyrimidin-2-amine; 2-Pyrimidinamine, 5-[8-methyl-9-(1-methylethyl)-2-(4-morpholinyl)-9H-purin-6-yl]-; C17H22N8O; 2-Pyrimidinamine, 5-(8-methyl-9-(1-methylethyl)-2-(4-morpholinyl)-9H-purin-6-yl)-; SCHEMBL539098; GTPL8382; DTXSID10677328; EX-A288; HMS3652B16; BCP08247; WZB56033; 2797AH; BDBM50059635; MFCD25372027; NSC778810; NSC800991; s7016; ZINC95644685; 5-(9-isopropyl-8-methyl-2-morpholin-4-yl-9H-purin-6-yl)-pyrimidin-2-ylamine; AKOS024465057; CCG-268087; CS-1202; DB12986; NSC-778810; NSC-800991; SB 2343; SB16877; 5-[8-Methyl-2-(morpholin-4-yl)-9-(propan-2-yl)-9H-purin-6-yl]pyrimidin-2-amine; NCGC00386370-03; NCGC00386370-06; AC-33121; AS-80075; DA-46738; HY-16585; FT-0700143; SW220201-1; A857790; J-690096; Q27089164; 5-[8-Methyl-9-(1-methylethyl)-2-(4-morpholinyl)-9H-purin-6-yl]-2-pyrimidinamine; SB-2343; ; ; 5-(8-Methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	DB12986	.	.	354.4	3	C17H22N8O	108	466	0.8	26	1	8	CC1=NC2=C(N=C(N=C2N1C(C)C)N3CCOCC3)C4=CN=C(N=C4)N	"InChI=1S/C17H22N8O/c1-10(2)25-11(3)21-14-13(12-8-19-16(18)20-9-12)22-17(23-15(14)25)24-4-6-26-7-5-24/h8-10H,4-7H2,1-3H3,(H2,18,19,20)"	QYBGBLQCOOISAR-UHFFFAOYSA-N
DG01582	WNT-974	46926973	"1243244-14-5; LGK974; LGK-974; 2-(2',3-Dimethyl-[2,4'-bipyridin]-5-yl)-N-(5-(pyrazin-2-yl)pyridin-2-yl)acetamide; WNT-974; WNT974; LGK 974; UNII-U27F40013Q; CHEBI:78030; LGK974 (WNT974); CHEMBL3188386; 2-[5-methyl-6-(2-methylpyridin-4-yl)pyridin-3-yl]-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide; U27F40013Q; 2-[5-Methyl-6-(2-methyl-4-pyridyl)-3-pyridyl]-N-(5-pyrazin-2-yl-2-pyridyl)acetamide; [2,4'-Bipyridine]-5-acetamide, 2',3-dimethyl-N-[5-(2-pyrazinyl)-2-pyridinyl]-; 2-(2',3-Dimethyl-(2,4'-bipyridin)-5-yl)-N-(5-(pyrazin-2-yl)pyridin-2-yl)acetamide; 2-(2',3-dimethyl-2,4'-bipyridin-5-yl)-N-[5-(pyrazin-2-yl)pyridin-2-yl]acetamide; NVP-LGK974; MLS006011002; SCHEMBL1723611; GTPL11167; HMS3653G11; BCP08495; EX-A1402; LGK-974 (WNT974); 2140AH; BBL102809; BDBM50133870; CS3177; NSC777639; s7143; STL556617; ZINC95930187; AKOS025211913; CCG-264701; DB12561; NSC-777639; SB19314; NCGC00347950-01; NCGC00347950-02; NCGC00347950-07; NCGC00347950-11; AC-30231; HY-17545; MS-20504; QC-11701; SMR004702800; SW211728-2; J3.551.731F; A890524; AU-004/43508401; J-005066; Q27147596; LGK 974;LGK974; WNT974; WNT 974; WNT-974; 2',3-Dimethyl-N-[5-(2-pyrazinyl)-2-pyridinyl]-[2,4'-bipyridine]-5-acetamide; 2-(2',3-diMethyl-[2,4'-bipyridin]-5-yl)-N-(5-(pyrazin-2-yl)pyridin-2-yl)acetaMide;LGK974"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:78030	DB12561	.	.	396.4	5	C23H20N6O	93.6	560	1.8	30	1	6	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	"InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)"	XXYGTCZJJLTAGH-UHFFFAOYSA-N
DG01583	MK2206	46930998	"1032350-13-2; MK-2206 dihydrochloride; MK-2206 2HCl; MK2206; UNII-Q34I3E28IO; 8-(4-(1-Aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one dihydrochloride; MK-2206 HCl salt; 8-[4-(1-AMINOCYCLOBUTYL)PHENYL]-9-PHENYL-1,2,4-TRIAZOLO[3,4-F][1,6]NAPHTHYRIDIN-3(2H)-ONE DIHYDROCHLORIDE; Q34I3E28IO; 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one;dihydrochloride; C25H21N5O; MK 2206 2HCl; 1032349-77-1; MK 2206 dihydrochloride; C25H21N5O.HCl; C25H21N5O.2HCl; CHEMBL4635254; SCHEMBL17100521; EX-A259; SYN1162; AOB87741; MFCD14584463; s1078; AKOS015966903; CCG-264809; PB19401; 1,2,4-Triazolo(3,4-f)(1,6)naphthyridin-3(2H)-one, 8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-, hydrochloride (1:2); 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one;dihydrochl; AC-28437; AS-16298; FT-0672430; SW202557-3; X7427; Z1978; P11738; J-000912; J-519356; Q27286944; (2R,4S)-4-[(3-Carboxy-1-oxopropyl)amino]-4-[(p-phenylphenyl)methyl]-2-methylbutanoic acid ethyl ester; 4-[[(2S,4R)-5-Ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid calcium salt; 4-{[(2S,4R)-1-(4-Biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentanyl]amino}-4-oxobutanoic acid; 8-[4-(1-Aminocyclobutyl)phenyl]-9-phenyl-1,2,4-triazolo[3,4-f][1,6]naphthyridin-3(2H)-one 2HCl; 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H,3H-[1,2,4]triazolo[3,4-f]1,6-naphthyridin-3-one hydrochloride"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	480.4	3	C25H23Cl2N5O	83.6	760	.	33	4	4	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N.Cl.Cl	"InChI=1S/C25H21N5O.2ClH/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31;;/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31);2*1H"	HWUHTJIKQZZBRA-UHFFFAOYSA-N
DG01584	LY-2874455	46944259	"LY2874455; 1254473-64-7; LY-2874455; UNII-E9M363811V; LY 2874455; CHEMBL3828009; E9M363811V; (R,E)-2-(4-(2-(5-(1-(3,5-dichloropyridin-4-yl)ethoxy)-1H-indazol-3-yl)vinyl)-1H-pyrazol-1-yl)ethanol; C21H19Cl2N5O2; (R,E)-2-(4-(2-(5-(1-(3,5-dichloropyridin-4-yl)ethoxy)-1H-indazol-3-yl)vinyl)-1H-pyrazol-1-yl)ethanol.; 2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol; (R,E)-2-(4-(2-(5-(1-(3,5-Dichloropyridin-4-yl)-ethoxy)-1H-indazol-3-yl)vinyl)-1H-pyrazol-1-yl)ethanol; LY2874455 monohydrate; SCHEMBL298445; SCHEMBL298446; GTPL8104; QCR-90; DTXSID20154776; BCP04756; EX-A1340; 2529AH; BDBM50189781; NSC771750; NSC783670; s7057; ZINC73069242; AKOS027251051; BCP9000878; CCG-269169; CS-0907; DB13022; LM 1476; NSC-771750; NSC-783670; (R,E)-2-(4-(2-(5-(1-(3,5-dichloropyridin-4-yl)ethoxy)-1H-indazol-3-yl)vinyl)-1H-pyrazol-1-yl)ethan-1-ol; AC-33003; AS-74798; HY-13304; BCP0726000015; C72002; LY2874455/LY-2874455; J-690104; Q27082753; (R)-(E)-2-(4-(2-(5-(1-(3,5-Dichloropyridin-4-yl)ethoxy)-1H-indazol-3-yl)vinyl)-1H-pyrazol-1-yl)ethanol; 2-{4-[(1E)-2-{5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-1H-indazol-3-yl}ethenyl]-1H-pyrazol-1-yl}ethan-1-ol"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB13022	.	.	444.3	7	C21H19Cl2N5O2	88.8	576	3.5	30	2	5	C[C@H](C1=C(C=NC=C1Cl)Cl)OC2=CC3=C(C=C2)NN=C3/C=C/C4=CN(N=C4)CCO	"InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1"	GKJCVYLDJWTWQU-CXLRFSCWSA-N
DG01585	CH-5132799	49784945	"CH5132799; 1007207-67-1; CH-5132799; 5-(7-(methylsulfonyl)-2-morpholino-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine; CH 5132799; UNII-JCL936W835; CHEMBL1684984; CH5132799 (PA-799); JCL936W835; 5-(7-methylsulfonyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine; 5-(7-Methanesulfonyl-2-Morpholin-4-Yl-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl)-Pyrimidin-2-Ylamine; C15H19N7O3S; (5-(7-Methylsulfonyl-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo(2,3-d)pyrimidin-4-yl)pyrimidin-2-yl)amine; izorlisib; [5-[7-Methylsulfonyl-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-yl]amine; MLS006010989; GTPL7743; QCR-47; SCHEMBL2377154; DTXSID40678540; EX-A997; MEN1611; SYN1146; HMS3656H15; HMS3750I19; PA799; AOB87718; BCP02894; MEN-1611; 2316AH; BDBM50338197; MFCD22419020; NSC762382; NSC800984; PA-799; s2699; ZINC66074200; AKOS025404886; BCP9000513; CCG-264982; CS-0981; DB13051; NSC-762382; NSC-800984; SB20410; NCGC00346650-01; NCGC00346650-06; 5-[7-(Methanesulfonyl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine; AC-28422; AS-16285; HY-15466; SMR004702790; BCP0726000261; SW220190-1; J-000203; Q27075949; 2-Pyrimidinamine, 5-[6,7-dihydro-7-(methylsulfonyl)-2-(4-morpholinyl)-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-; 5-[7-(methylsulfonyl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine; 5-[7-methanesulfonyl-2-(morpholin-4-yl)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine"	Phase 1/2	8	Clinical Trial Drug(s)	Phase 1/2	Small molecular drug	.	.	DB13051	.	.	377.4	3	C15H19N7O3S	136	587	-0.6	26	1	10	CS(=O)(=O)N1CCC2=C(N=C(N=C21)N3CCOCC3)C4=CN=C(N=C4)N	"InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18)"	JEGHXKRHKHPBJD-UHFFFAOYSA-N
DG01586	Taladegib	49848070	"Taladegib; 1258861-20-9; LY2940680; LY-2940680; 4-Fluoro-N-methyl-N-(1-(4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl)piperidin-4-yl)-2-(trifluoromethyl)benzamide; UNII-QY8BWX1LJ5; LY 2940680; QY8BWX1LJ5; Taladegib (LY2940680); 4-fluoro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-2-(trifluoromethyl)benzamide; 4-Fluoro-N-Methyl-N-{1-[4-(1-Methyl-1h-Pyrazol-5-Yl)phthalazin-1-Yl]piperidin-4-Yl}-2-(Trifluoromethyl)benzamide; 4-fluoro-n-methyl-n-(1-(4-(1-methyl-1h-pyrazol-5-yl)-1-phthalazinyl)-4-piperidinyl)-2-(trifluoromethyl)benzamide; Benzamide, 4-fluoro-N-methyl-N-(1-(4-(1-methyl-1H-pyrazol-5-yl)-1-phthalazinyl)-4-piperidinyl)-2-(trifluoromethyl)-; Benzamide, 4-fluoro-N-methyl-N-[1-[4-(1-methyl-1H-pyrazol-5-yl)-1-phthalazinyl]-4-piperidinyl]-2-(trifluoromethyl)-; Taladegib [USAN:INN]; 4-Fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)-1-phthalazinyl]-4-piperidinyl}-2-(trifluoromethyl)benzamide; Taladegib (USAN/INN); MLS006011066; LY-2940680(Taladegib); SCHEMBL2128615; CHEMBL2142592; C26H24F4N6O; GTPL10333; DTXSID50154986; EX-A156; BCP02512; BDBM50545020; MFCD21609264; NSC767896; s2157; ZINC68247898; AKOS026674116; BCP9000881; CCG-269788; CS-0459; DB12550; NSC-767896; SB16504; NCGC00263170-01; NCGC00263170-06; AC-33096; AS-75020; HY-13242; QC-11811; SMR004702857; X7613; D10671; J-515412; Q27287564; 1KS; LY 2940680; ; ; 4-fluoro-N-methyl-N-[1-[4-(1-methyl-1H-pyrazol-5-yl)-1-phthalazinyl]-4-piperidinyl]-2-(trifluoromethyl)-benzamide"	Phase 1/2	8	Clinical Trial Drug(s)	Phase 1/2	Small molecular drug	.	.	DB12550	DR1816	.	512.5	4	C26H24F4N6O	67.2	794	4.3	37	0	9	CN1C(=CC=N1)C2=NN=C(C3=CC=CC=C32)N4CCC(CC4)N(C)C(=O)C5=C(C=C(C=C5)F)C(F)(F)F	"InChI=1S/C26H24F4N6O/c1-34(25(37)20-8-7-16(27)15-21(20)26(28,29)30)17-10-13-36(14-11-17)24-19-6-4-3-5-18(19)23(32-33-24)22-9-12-31-35(22)2/h3-9,12,15,17H,10-11,13-14H2,1-2H3"	SZBGQDXLNMELTB-UHFFFAOYSA-N
DG01587	Encorafenib	50922675	"Encorafenib; LGX818; 1269440-17-6; LGX-818; Braftovi; Encorafenib (LGX818); UNII-8L7891MRB6; LGX 818; 8L7891MRB6; methyl N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate; Carbamic acid, N-[(1S)-2-[[4-[3-[5-chloro-2-fluoro-3-[(methylsulfonyl)amino]phenyl]-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]-1-methylethyl]-, methyl ester; Encorafenib [USAN:INN]; Braftovi (TN); LGX-818(Encorafenib); NVP-LGX818-NXA; NVP-LGX-818-NXA; NVP-LGX818; Encorafenib (JAN/USAN/INN); GTPL7908; SCHEMBL8228295; CHEMBL3301612; DTXSID00155347; BDBM221688; BCP08458; EX-A1587; MFCD25976758; NSC778304; NSC800093; s7108; ZINC68249103; CCG-269960; DB11718; NSC-778304; NSC-800093; NCGC00378599-03; AC-30230; AS-35201; HY-15605; A13226; D11053; US9314464, 9; Q15409405; (S)-Methyl (1-((4-(3-(5-chloro-2-fluoro-3-(methylsulfonamido)phenyl)-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-yl)amino)propan-2-yl)carbamate; Methyl N-[(2S)-1-({4-[3-(5-chloro-2-fluoro-3-methanesulfonamidophenyl)-1-(propan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl}amino)propan-2-yl]carbamate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11718	DR0578	.	540	10	C22H27ClFN7O4S	149	836	2.7	36	3	10	C[C@@H](CNC1=NC=CC(=N1)C2=CN(N=C2C3=C(C(=CC(=C3)Cl)NS(=O)(=O)C)F)C(C)C)NC(=O)OC	"InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1"	CMJCXYNUCSMDBY-ZDUSSCGKSA-N
DG01588	BMS-911543	50922691	"BMS-911543; 1271022-90-2; BMS911543; BMS 911543; UNII-7N03P021J8; N,N-dicyclopropyl-4-((1,5-dimethyl-1H-pyrazol-3-yl)amino)-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide; 7N03P021J8; N,N-Dicyclopropyl-4-[(1,5-Dimethyl-1h-Pyrazol-3-Yl)amino]-6-Ethyl-1-Methyl-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine-7-Carboxamide; N,N-dicyclopropyl-4-((1,5-dimethyl-1H-pyrazol-3-yl)amino)-6-ethyl-1-methyl-1,6-dihydroimidazo(4,5-d)pyrrolo(2,3b)pyridine-7-carboxamide; GTPL7954; SCHEMBL1512419; CHEMBL3545215; DTXSID00155403; HMS3747C07; AOB87390; BCP07258; EX-A1551; WAC02290; BDBM50122318; MFCD22200575; NSC766821; NSC799366; s7144; AKOS027251175; JAK2 INHIBITOR BMS-911543; ZINC100468481; CCG-269045; CS-3237; DB12591; NSC-766821; NSC-799366; SB16625; NCGC00345798-01; NCGC00345798-06; AC-29054; AS-17031; HY-15270; Imidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1,6-dihydro-1-methyl-; QC-11446; FT-0697510; A908362; Q27075379; 50V; N,N-dicyclopropyl-4-((1,5-dimethyl-1H-pyrazol-3-yl)amino)-6-ethyl-1-methyl-1,6-dihydroimidazo(4,5-d); N,N-dicyclopropyl-4-(1,5-dimethyl-1H-pyrazol-3-ylamino)-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide; N,N-dicyclopropyl-7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB12591	.	DR00775	432.5	6	C23H28N8O	85.8	717	2.9	32	1	5	CCN1C(=CC2=C3C(=C(N=C21)NC4=NN(C(=C4)C)C)N=CN3C)C(=O)N(C5CC5)C6CC6	"InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)"	JCINBYQJBYJGDM-UHFFFAOYSA-N
DG01589	NIBR3049	50925411	"TCS 21311; 1260181-14-3; NIBR3049; TCS-21311; 3-[5-[4-(2-Hydroxy-2-methyl-1-oxopropyl)-1-piperazinyl]-2-(trifluoromethyl)phenyl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione; CHEMBL1650951; NIBR3049NIBR3049; SCHEMBL16113848; NIBR-3049; DTXSID40678984; BDBM50335231; ZINC66103171; AKOS016355213; NCGC00387150-01; HY-108264; CS-0027898; FT-0674827; J-005320; JAK3/GSK-3beta/PKCalpha Inhibitor - CAS 1260181-14-3; 3-[5-[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]-2-(trifluoromethyl)phenyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione; 3-{5-[4-(2-Hydroxy-2-methyl-propionyl)-piperazin-1-yl]-2-trifluoromethyl-phenyl}-4-(1H-indol-3-yl)-pyrrole-2,5-dione; 3-{5-[4-(2-Hydroxy-2-methylpropanoyl)piperazin-1-yl]-2-(trifluoromethyl)phenyl}-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	526.5	4	C27H25F3N4O4	106	1000	2.9	38	3	8	CC(C)(C(=O)N1CCN(CC1)C2=CC(=C(C=C2)C(F)(F)F)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)O	"InChI=1S/C27H25F3N4O4/c1-26(2,38)25(37)34-11-9-33(10-12-34)15-7-8-19(27(28,29)30)17(13-15)21-22(24(36)32-23(21)35)18-14-31-20-6-4-3-5-16(18)20/h3-8,13-14,31,38H,9-12H2,1-2H3,(H,32,35,36)"	CLGRAWDGLMENOD-UHFFFAOYSA-N
DG01590	VE-821	51000408	"VE-821; 1232410-49-9; 3-Amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide; VE 821; VE821; 3-Amino-6-[4-(methylsulfonyl)phenyl]-N-phenyl-2-pyrazinecarboxamide; UNII-BF884TQ935; CHEMBL1766779; 3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide; BF884TQ935; 3-AMINO-6-(4-METHANESULFONYLPHENYL)-N-PHENYLPYRAZINE-2-CARBOXAMIDE; 3-Amino-6-(4-(methylsulfonyl)phenyl)-N-phenyl-2-pyrazinecarboxamide; 2-Pyrazinecarboxamide, 3-amino-6-(4-(methylsulfonyl)phenyl)-N-phenyl-; 2-Pyrazinecarboxamide, 3-amino-6-[4-(methylsulfonyl)phenyl]-N-phenyl-; ATR Inhibitor IV; MLS006011215; GTPL8042; SCHEMBL2483543; DTXSID60679574; EX-A530; CHEBI:124916; HMS3653B19; HMS3673C07; HMS3744G05; BCP02617; 2788AH; BDBM50341733; MFCD19443686; NSC761070; s8007; ZINC68244543; AKOS025212610; CCG-268268; CS-0238; NSC-761070; SB19277; NCGC00346444-01; NCGC00346444-07; AC-30933; AS-72494; BV168070; HY-14731; SMR004702977; VE-821, >=98% (HPLC); FT-0700135; SW219507-1; J-690084; Q27089128; 3-Amino-6-[4-(methlsulfonyl)phenyl)-N-phenyl-2-pyrazinecarboxamide; 3-Azanyl-6-(4-methylsulfonylphenyl)-N-phenyl-pyrazine-2-carboxamide; 3-amino-6-(4-(methyl sulfonyl)phenyl)-n-phenyl-2-pyrazinecarboxamide; 3-Amino-6-[4-(methanesulfonyl)phenyl]-N-phenylpyrazine-2-carboxamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:124916	.	.	.	368.4	4	C18H16N4O3S	123	578	2.1	26	2	6	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	"InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23)"	DUIHHZKTCSNTGM-UHFFFAOYSA-N
DG01591	Taselisib	51001932	"Taselisib; GDC-0032; 1282512-48-4; GDC 0032; 2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanamide; GDC0032; Taselisib (GDC0032); UNII-L08J2O299M; RG7604; RG-7604; CHEMBL2387080; L08J2O299M; RG 7604; Taselisib [INN]; 2-Methyl-2-(4-{2-[3-Methyl-1-(Propan-2-Yl)-1h-1,2,4-Triazol-5-Yl]-5,6-Dihydroimidazo[1,2-D][1,4]benzoxazepin-9-Yl}-1h-Pyrazol-1-Yl)propanamide; Taselisib [USAN:INN]; TaselisibGDC-0032; Taselisib (USAN/INN); Taselisib (GDC-0032); GTPL7794; SCHEMBL1485247; DTXSID00155842; SYN1202; HMS3674G19; AMY39941; BCP09253; EX-A1581; BDBM50434806; MFCD26142641; NSC777425; NSC800985; s7103; ZINC68267049; AKOS026750303; CCG-269338; CS-1817; DB12108; GDC-0032, Taselisib; RG-7604; NSC-777425; NSC-800985; SB16576; NCGC00387039-02; 2-methyl-2-[4-[2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]propanamide; AC-32794; AS-10662; BG166285; HY-13898; QC-11626; D11774; J-690119; Q27088940; 1H-Pyrazole-1-acetamide, 4-[5,6-dihydro-2-[3-methyl-1-(1-methylethyl)-1H-1,2,4-triazol-5-yl]imidazo[1,2-d][1,4]benzoxazepin-9-yl]-alpha,alpha-dimethyl-; 2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanamide(GDC-0032); 3-({[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)pentanedioic aci d; 4-[5,6-Dihydro-2-[3-methyl-1-(1-methylethyl)-1H-1,2,4-triazol-5-yl]imidazo[1,2-d][1,4]benzoxazepin-9-yl]-; A,; A-dimethyl-1H-pyrazole-1-acetamide"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB12108	.	.	460.5	5	C24H28N8O2	119	751	1.8	34	1	6	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	"InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)"	BEUQXVWXFDOSAQ-UHFFFAOYSA-N
DG01592	Pyrotinib	51039030	"Pyrotinib; 1269662-73-8; UNII-CJN36EQM0H; SHR-1258; CJN36EQM0H; SHR1258; 1269662-73-8 (free base); (R,E)-N-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-3-(1-methylpyrrolidin-2-yl)acrylamide; (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide; Airuini; 1246089-97-3; Pyrotinib(SHR-1258); GTPL9662; SCHEMBL9948753; CHEMBL3647420; BDBM139991; BCP29458; WZB08997; s8852; CS-7940; DB14993; compound 12 [PMID: 28115222]; 2-Propenamide, N-(4-((3-chloro-4-(2-pyridinylmethoxy)phenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-3-((2R)-1-methyl-2-pyrrolidinyl)-, (2E)-; HY-104065; 4679B; A17068; US8901140, 5; SHR-1258; SHR1258; SHR 1258; Q27275495; (E)-N-[4-[[3-chloro-4-(2-pyridylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolyl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	DB14993	.	.	583.1	10	C32H31ClN6O3	112	960	5.4	42	2	8	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)/C=C/[C@H]5CCCN5C	"InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1"	SADXACCFNXBCFY-IYNHSRRRSA-N
DG01593	Tucatinib	51039094	"Irbinitinib; Tucatinib; 937263-43-9; ONT-380; 6-DIAMINE; Tukysa; UNII-234248D0HH; N6-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)-N4-(3-methyl-4-((1,2,4)triazolo(1,5-a)pyridin-7-yloxy)phenyl)quinazoline-4,6-diamine; 234248D0HH; Irbinitinib; ARRY-380; ONT-380; N4-(4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-methylphenyl)-N6-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)quinazoline-4,6-diamine; 6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine; N6-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)-N4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,6-quinazolinediamine; Irbitinib; ONT 380; Tukysa (TN); ONT-380;Tucatinib; Tucatinib (USAN/INN); Tucatinib [USAN:INN]; Irbinitinib(ARRY-380); Irbinitinib; ARRY-380; GTPL9922; SCHEMBL1193050; CHEMBL3989868; BDBM471617; BCP15983; EX-A1031; MFCD22380467; NSC764581; NSC799335; s8362; ZINC68250462; ARRY-380 (ONT-380); AKOS026750449; CCG-264747; CS-3906; DB11652; NSC-764581; NSC-799335; SB17126; US10822334, Compound ONT380; NCGC00482879-02; 4,6-Quinazolinediamine, N6-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-N4-(3-methyl-4-((1,2,4)triazolo(1,5-a)pyridin-7-yloxy)phenyl)-; AC-33037; AS-56109; BT177688; HY-16069; Example 11 [WO2007059257A2]; DB-130430; A16413; D11141; A857335; Q25100690; 4,6-QuinazolinediaMine,N6-(4,5-dihydro-4,4-diMethyl-2-oxazolyl)-N4-[3-Methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-; N6-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)-N4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,6-quinazolinediamine;; N6-(4,5-dihydro-4,4-dmethyl-2-oxazolyl)-N4-(3-methyl-4-((1,2,4)triazolo(1,5-A)pyridin-7-Yloxy)phenyl)-4,6-quinazolinediamine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11652	.	.	480.5	6	C26H24N8O2	111	796	4	36	2	8	CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC4=NC(CO4)(C)C)OC5=CC6=NC=NN6C=C5	"InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31)"	SDEAXTCZPQIFQM-UHFFFAOYSA-N
DG01594	AZD-4547	51039095	"AZD4547; 1035270-39-3; AZD-4547; AZD 4547; UNII-2167OG1EKJ; N-(5-(3,5-dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3S,5R)-3,5-dimethylpiperazin-1-yl)benzamide; 2167OG1EKJ; CHEBI:63453; rel-N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]benzamide; N-{3-[2-(3,5-Dimethoxyphenyl)ethyl]-1h-Pyrazol-5-Yl}-4-[(3r,5s)-3,5-Dimethylpiperazin-1-Yl]benzamide; N-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-4-(cis-3,5-dimethylpiperazin-1-yl)benzamide; N-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide; 66T; KB-74810; N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide; SCHEMBL63884; N-(5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3R,5S)-rel-3,5-dimethylpiperazin-1-yl)benzamide; GTPL7707; QCR-89; SCHEMBL15250892; DTXSID80145887; AMY16612; AOB87745; EX-A1578; 2240AH; MFCD22580423; NSC764239; NSC765338; NSC799346; s2801; ZINC95616598; AKOS024464898; BCP9000364; CCG-269382; CS-0971; DB12247; NSC-764239; NSC-765338; NSC-799346; NCGC00346713-01; NCGC00346713-05; AC-28442; AS-17054; HY-13330; rel-N-(5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3R,5S)-3,5-dimethylpiperazin-1-yl)benzamide; SW219341-1; J-000994; J-524217; Q27074746; N-(5-(3,5-dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3R,5S)-3,5-dimethylpiperazin-1-yl)benzamide, rel-; N-(5-(3,5-Dimethoxyphenethyl)-4H-pyrazol-3-yl)-4-((3S,5R)-3,5-dimethylpiperazin-1-yl)benzamide; N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-Benzamide; N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide; N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethylpiperazin -1-yl]benzamide; N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide"	Phase 2/3	6	Clinical Trial Drug(s)	Phase 2/3	Small molecular drug	.	CHEBI:63453	DB12247	.	.	463.6	8	C26H33N5O3	91.5	622	3.9	34	3	6	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	"InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+"	VRQMAABPASPXMW-HDICACEKSA-N
DG01595	Uprosertib	51042438	"Uprosertib; 1047634-65-0; GSK2141795; UNII-ZXM835LQ5E; GSK795; GSK2141795C; GSK-2141795; ZXM835LQ5E; Uprosertib (GSK2141795); N-((S)-1-Amino-3-(3,4-difluorophenyl)propan-2-yl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)furan-2-carboxamide; N-[(2S)-1-amino-3-(3,4-difluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methylpyrazol-3-yl)furan-2-carboxamide; Uprosertib [USAN:INN]; Uprosertib (USAN/INN); Akt inhibitor gsk2141795; SCHEMBL168584; Uprosertib, GSK2141795; Akt inhibitor gsk-2141795; GTPL7902; CHEMBL3137336; BCP28204; EX-A1593; BDBM50170284; GSK-2141795C; MFCD28144686; NSC778368; NSC800960; s7492; ZINC43197676; AKOS027323909; CCG-268992; DB11969; NSC-778368; NSC-800960; NCGC00390653-01; AC-30940; HY-15965; D10674; F20800; Q27089099; GSK-2141795; GSK2141795; GSK 2141795; GSK795; GSK-795; GSK 795.; 2-Furancarboxamide, N-((1S)-2-amino-1-((3,4-difluorophenyl)methyl)ethyl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-; N-((1S)-1-(Aminomethyl)-2-(3,4-difluorophenyl)ethyl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)furan-2-carboxamide; N-{(1S)-2-amino-1-[(3,4-difluorophenyl)methyl]ethyl}-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-2-furancarboxamide"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB11969	.	.	429.2	6	C18H16Cl2F2N4O2	86.1	550	3.4	28	2	6	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	"InChI=1S/C18H16Cl2F2N4O2/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27)/t10-/m0/s1"	AXTAPYRUEKNRBA-JTQLQIEISA-N
DG01596	APR-246	52918385	"APR-246; 5291-32-7; PRIMA-1MET; Eprenetapopt; APR 246; 2-(Hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one; 2-(Hydroxymethyl)-2-(methoxymethyl)quinuclidin-3-one; Prima 1MET; Eprenetapopt [USAN]; MLS006010767; APR246; SCHEMBL2228161; 3-Quinuclidinone, 2-(hydroxymethyl)-2-(methoxymethyl)-; CHEMBL3186011; SCHEMBL21636035; PRIMA-1MET(APR-246); APR-246 (PRIMA-1MET); BCP20294; EX-A2772; MFCD20620963; NSC791496; s7724; WHO 11387; 1-Azabicyclo(2.2.2)octan-3-one, 2-(hydroxymethyl)-2-(methoxymethyl)-; AKOS024457764; CCG-266578; CS-7614; DB11684; NSC-791496; SB19737; NCGC00346881-01; AC-32964; AS-72033; BA176962; HY-19980; SMR004701457; A901731; Q27294965; 2-hydroxymethyl-2-methoxymethyl-1-azabicyclo[2.2.2]octan-3-one"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB11684	.	.	199.25	3	C10H17NO3	49.8	236	-0.1	14	1	4	COCC1(C(=O)C2CCN1CC2)CO	"InChI=1S/C10H17NO3/c1-14-7-10(6-12)9(13)8-2-4-11(10)5-3-8/h8,12H,2-7H2,1H3"	BGBNULCRKBVAKL-UHFFFAOYSA-N
DG01597	Miransertib	53262401	"Miransertib; 1313881-70-7; ARQ-092; AKT inhibitor 2; ARQ 092 Free Base; ARQ092; ARQ 092; UNII-T1DQI1B52Y; T1DQI1B52Y; 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine; 3-(3-(4-(1-aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine; 3-[3-[4-(1-Azanylcyclobutyl)phenyl]-5-Phenyl-Imidazo[4,5-B]pyridin-2-Yl]pyridin-2-Amine; 3-(3-(4-(1-aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo(4,5-b)pyridin-2-yl)pyridin-2-amine; Miransertib [INN]; Miransertib [USAN]; Miransertib [WHO-DD]; Miransertib (USAN/INN); Miransertib [USAN:INN]; Miransertib (ARQ-092); GTPL9429; SCHEMBL2187875; CHEMBL4297188; BCP19821; EX-A1268; NSC791328; WHO 10490; ZINC72315647; CS-5377; DB14982; NSC-791328; SB19688; compound 21a [PMID: 27305487]; HY-19719; DB-105304; S6811; J3.532.768A; D11409; A922251; Q27456535; 2-Pyridinamine, 3-(3-(4-(1-aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo(4,5-b)pyridin-2-yl)-; 3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo(4,5-b)pyridin-2-yl)-2-pyridinamine; 6S1"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB14982	.	.	432.5	4	C27H24N6	95.6	653	3.8	33	2	5	C1CC(C1)(C2=CC=C(C=C2)N3C4=C(C=CC(=N4)C5=CC=CC=C5)N=C3C6=C(N=CC=C6)N)N	"InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)"	HNFMVVHMKGFCMB-UHFFFAOYSA-N
DG01598	FIIN-1	53348188	"FIIN-1; 1256152-35-8; CHEMBL2216830; N-(3-((3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(4-(diethylamino)butylamino)-2-oxo-3,4- dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl)methyl)phenyl)acrylamide; N-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)prop-2-enamide; FIIN1; SCHEMBL17010767; BDBM50403060; ZINC95564544; NCGC00378818-01; HY-15813; CS-0009282; N-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[4-(diethylamino)butylamino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]phenyl]prop-2-enamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	656.6	15	C32H39Cl2N7O4	112	947	5.3	45	2	8	CCN(CC)CCCCNC1=NC=C2CN(C(=O)N(C2=N1)CC3=CC(=CC=C3)NC(=O)C=C)C4=C(C(=CC(=C4Cl)OC)OC)Cl	"InChI=1S/C32H39Cl2N7O4/c1-6-26(42)37-23-13-11-12-21(16-23)19-41-30-22(18-36-31(38-30)35-14-9-10-15-39(7-2)8-3)20-40(32(41)43)29-27(33)24(44-4)17-25(45-5)28(29)34/h6,11-13,16-18H,1,7-10,14-15,19-20H2,2-5H3,(H,37,42)(H,35,36,38)"	DNVFTXQYIYFQBW-UHFFFAOYSA-N
DG01599	Altiratinib	54576299	"Altiratinib; 1345847-93-9; DCC-2701; DP-5164; Altiratinib [USAN]; UNII-T678746713; Altiratinib (USAN); 1,1-Cyclopropanedicarboxamide, N-[4-[[2-[(cyclopropylcarbonyl)amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-N'-(4-fluorophenyl)-; T678746713; 1,1-Cyclopropanedicarboxamide, N-(4-((2-((cyclopropylcarbonyl)amino)-4-pyridinyl)oxy)-2,5-difluorophenyl)-N'-(4-fluorophenyl)-; 1-N'-[4-[2-(cyclopropanecarbonylamino)pyridin-4-yl]oxy-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; N-(4-((2-(cyclopropanecarboxamido)pyridin-4-yl)oxy)-2,5-difluorophenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.; N-[4-[[2-[(Cyclopropylcarbonyl)amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-N'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide; Altiratinib;DCC2701; Altiratinib(DCC-2701); SCHEMBL139906; GTPL9174; CHEMBL3545365; DCC-270; DCC2701; EX-A902; AOB87118; BCP15682; HY-B0791; BDBM50193395; MFCD28900672; NSC784590; s6412; AKOS026750329; ZINC113198271; CS-3944; NSC-784590; SB18876; NCGC00480913-04; N-(4-((2-((Cyclopropylcarbonyl)amino)pyridin-4-yl)oxy)-2,5-difluorophenyi)-N-(4- fluorophenyl)cyclopropane-1,1-dicarboxamide; B5832; FT-0700171; A14387; D10862; F11464; A887875; J-690136; Q27074416; 1,1-CYCLOPROPANEDICARBOXAMIDE, N-[4-[[2-[(CYCLOPROPYLCARBONYL)AMINO]-4-PYRIDINYL]OXY]-2,5-DIFLUOROPHENYL]-N-(4-FLUOROPHENYL)-; 4-{5-[(E)-2-{4-(2-Chlorophenyl)-5-[5-(methylsulfonyl)-2-pyridinyl]-4H-1,2,4-triazol-3-yl}vinyl]-1,3,4-oxadiazol-2-yl}benzonitrile; N-(4-(2-(cyclopropanecarboxamido)pyridin-4-yloxy)-2,5-difluorophenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	510.5	8	C26H21F3N4O4	109	863	4.3	37	3	8	C1CC1C(=O)NC2=NC=CC(=C2)OC3=C(C=C(C(=C3)F)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F	"InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)"	GNNDEPIMDAZHRQ-UHFFFAOYSA-N
DG01600	AZD3463	56599293	AZD3463; 1356962-20-3; AZD-3463; ALK/IGF1R inhibitor; N-(4-(4-Aminopiperidin-1-yl)-2-methoxyphenyl)-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine; N-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine; CS-1382; HY-15609; AZD 3463; C24H25ClN6O; N-(4-(4-aminopiperidin-1-yl)-2-methoxyphenyl)-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine.; KB-154896; SCHEMBL517412; GTPL7706; CHEMBL4203266; DTXSID50717792; EX-A328; CHEBI:167653; BDBM192752; HMS3653G05; AOB87394; BCP07685; 2238AH; NSC776787; s7106; ZINC95616580; AKOS026750287; CCG-269224; NSC-776787; NCGC00351596-09; AC-32961; AS-17033; DA-35311; QC-11775; FT-0749742; SW219925-1; F20803; Q27074737; ALK/IGF1R inhibitor; ; ; N-(4-(4-aminopiperidin-1-yl)-2-methoxyphenyl)-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine; N-[4-(4-amino-1-piperidinyl)-2-methoxyphenyl]-5-chloro-4-(1H-indol-3-yl)-2-pyrimidinamine	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	448.9	5	C24H25ClN6O	92.1	605	4.2	32	3	6	COC1=C(C=CC(=C1)N2CCC(CC2)N)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl	"InChI=1S/C24H25ClN6O/c1-32-22-12-16(31-10-8-15(26)9-11-31)6-7-21(22)29-24-28-14-19(25)23(30-24)18-13-27-20-5-3-2-4-17(18)20/h2-7,12-15,27H,8-11,26H2,1H3,(H,28,29,30)"	GCYIGMXOIWJGBU-UHFFFAOYSA-N
DG01601	Pilaralisib	56599306	"Pilaralisib; 934526-89-3; XL-147; SAR245408; SAR-245408; UNII-60ES45KTMK; Pilaralisib (XL147); 60ES45KTMK; 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide; 2-amino-N-(3-(N-(3-((2-chloro-5-methoxyphenyl)amino)quinoxalin-2-yl)sulfamoyl)phenyl)-2-methylpropanamide.; SAR 245408; Pilaralisib [USAN:INN]; Pilaralisib, SAR245408; SCHEMBL189422; CHEMBL3360203; SCHEMBL14921345; SCHEMBL16154579; EX-A196; AMY10846; BCP15312; BDBM50197062; MFCD26142605; NSC791227; NSC800853; s7645; AKOS026750450; ZINC100472223; CCG-264704; CS-1546; DB11772; NSC-791227; NSC-800853; SB16574; Pilaralisib(XL-147; SAR245408); NCGC00378973-02; 2-Amino-n-(3-(N-(3-((2-chloro-5-methoxyphenyl)amino)quinoxalin-2-yl)sulfamoyl)phenyl)-2-methylpropanamide; 2-amino-N-[3-({3-[(2-chloro-5-methoxyphenyl)amino]quinoxalin-2-yl}sulfamoyl)phenyl]-2-methylpropanamide; AC-33122; AS-56300; DA-40388; HY-16526; FT-0744481; A859771"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	DB11772	.	.	541	8	C25H25ClN6O4S	157	887	3.4	37	4	9	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	"InChI=1S/C25H25ClN6O4S/c1-25(2,27)24(33)28-15-7-6-8-17(13-15)37(34,35)32-23-22(29-19-9-4-5-10-20(19)30-23)31-21-14-16(36-3)11-12-18(21)26/h4-14H,27H2,1-3H3,(H,28,33)(H,29,31)(H,30,32)"	QINPEPAQOBZPOF-UHFFFAOYSA-N
DG01602	AGI-5198	56645356	AGI-5198; 1355326-35-0; IDH-C35; N-cyclohexyl-2-(N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamido)-2-(o-tolyl)acetamide; AGI 5198; AGI-5198(IDH C35); N-cyclohexyl-2-(N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamido)-2-o-tolylacetamide; CHEMBL2180727; AGI5198; N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide; AGI-5198 (IDH-C35); MLS006010252; GTPL9240; SCHEMBL15118942; C27H31FN4O2; AOB5947; DTXSID30718166; EX-A171; QCR-214; HMS3653K15; HMS3865J13; AMY24200; BCP07382; BDBM50400272; MFCD24848688; NSC773096; s7185; AKOS026674117; CCG-269371; CS-1429; NSC-773096; SB19576; NCGC00347934-01; NCGC00347934-09; BS-14968; DA-35355; HY-18082; SMR004701328; FT-0768624; SW220036-1; X5817; A854356; Q27074345; S900006220; N-[2-(Cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamide	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	462.6	7	C27H31FN4O2	67.2	686	4.9	34	1	4	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	"InChI=1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)"	FNYGWXSATBUBER-UHFFFAOYSA-N
DG01603	Agerafenib	56846693	"CEP-32496; 1188910-76-0; Agerafenib; CEP 32496; RXDX-105; UNII-78I4VEX88N; 1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea; CEP32496; 78I4VEX88N; CHEMBL2029988; 1-[3-[(6,7-Dimethoxyquinazolin-4-yl)oxy]phenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-yl]urea; 1-(3-((6,7-dimethoxyquinazolin-4-yl)oxy)phenyl)-3-(5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-yl)urea; Rxdx 105; CEP-32496 free base; CEP-32496 (free base); GTPL7880; SCHEMBL1015932; HMS3653J19; BCP16304; EX-A1481; 2310AH; AB-024; BDBM50382959; MFCD22124524; NSC776043; NSC800070; s8015; ZINC43207440; AKOS023600525; AKOS032949984; CCG-269834; CS-1115; DB15068; NSC-776043; NSC-800070; SB20796; NCGC00386234-02; NCGC00386234-03; AC-30297; AC013773; AS-74934; HY-15200; AC-013773; SW220118-1; A856125; Q27075853; 1-{3-[(6,7-DIMETHOXYQUINAZOLIN-4-YL)OXY]PHENYL}-3-[5-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)-1,2-OXAZOL-3-YL]UREA; Urea, N-[3-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl]-N-[5-(2,2,2-trifluoro-1,1-dimethylethyl)-3-isoxazolyl]-"	Phase 1/2	8	Clinical Trial Drug(s)	Phase 1/2	Small molecular drug	.	.	DB15068	.	DR00774	517.5	7	C24H22F3N5O5	121	776	5	37	2	11	CC(C)(C1=CC(=NO1)NC(=O)NC2=CC(=CC=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C(F)(F)F	"InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)"	DKNUPRMJNUQNHR-UHFFFAOYSA-N
DG01604	CEP-28122	57325421	"CEP-28122; 1022958-60-6; CHEMBL2064666; compound 25b [PMID: 22564207]; (1S,2S,3R,4R)-3-((5-chloro-2-(((S)-1-methoxy-7-morpholino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino)pyrimidin-4-yl)amino)bicyclo[2.2.1]hept-5-ene-2-carboxamide.; CEP28122; CEP 28122; GTPL8139; SCHEMBL2061951; (1S,2S,3R,4R)-3-[(5-chloro-2-{[(7S)-1-methoxy-7-(morpholin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino}pyrimidin-4-yl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide; EX-A1541; BDBM50389154; ZINC84654307; CS-5176; NCGC00387821-03; HY-18030; Q27076467; (1S,2S,3R,4R)-3-[(5-Chloro-2-{[(7S)-1-methoxy-7-(4-morpholinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino}-4-pyrimidinyl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide; (1S,2S,3R,4R)-3-[[5-chloro-2-[[(7S)-4-methoxy-7-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide; (1S,2S,3R,4R)-3-[5-Chloro-2-((S)-1-methoxy-7-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-ylamino)-pyrimidin-4-ylamino]-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	539.1	7	C28H35ClN6O3	115	858	4.1	38	3	8	COC1=C(C=CC2=C1CC[C@H](CC2)N3CCOCC3)NC4=NC=C(C(=N4)N[C@@H]5[C@@H]6C[C@H]([C@@H]5C(=O)N)C=C6)Cl	"InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1"	LAJAFFLJAJMYLK-CVOKMOJFSA-N
DG01605	SR-9009	57394020	"SR9009; 1379686-30-2; SR-9009; SR 9009; ethyl 3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]pyrrolidine-1-carboxylate; Stenabolic (SR9009); CHEMBL1961796; 1-Pyrrolidinecarboxylic acid, 3-((((4-chlorophenyl)methyl)((5-nitro-2-thienyl)methyl)amino)methyl)-, ethyl ester; Stenabolic; 1-pyrrolidinecarboxylic acid, 3-[[[(4-chlorophenyl)methyl][(5-nitro-2-thienyl)methyl]amino]methyl]-, ethyl ester; REV-ERB Agonist II; GTPL8901; EX-A726; BCP16215; BDBM50366238; MFCD29472236; NSC810521; s8692; AKOS027470307; CCG-269102; CS-4669; DB14013; NSC-810521; SB19006; NCGC00384202-01; AC-30219; AS-55859; HY-16989; A886340; J-690150; Q15410184; ethyl 3-(4-chlorobenzyl)((5-nitrothiophen-2-yl)methylaminomethyl)pyrrolidine-1-carboxylate; N'-[(1E)-1-(5-Chloro-2-hydroxyphenyl)ethylidene]-3-(4-morpholinylsulfonyl)benzohydrazide; ethyl 3-[[(4-chlorophenyl)methyl-[(5-nitro-2-thienyl)methyl]amino]methyl]pyrrolidine-1-carboxylate; Ethyl 3-[[[(4-chlorophenyl)methyl][(5-nitro-2-thienyl)methyl]amino]methyl]-1-pyrrolidinecarboxylate"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	DB14013	.	.	437.9	8	C20H24ClN3O4S	107	556	4.4	29	0	6	CCOC(=O)N1CCC(C1)CN(CC2=CC=C(C=C2)Cl)CC3=CC=C(S3)[N+](=O)[O-]	"InChI=1S/C20H24ClN3O4S/c1-2-28-20(25)23-10-9-16(13-23)12-22(11-15-3-5-17(21)6-4-15)14-18-7-8-19(29-18)24(26)27/h3-8,16H,2,9-14H2,1H3"	MMJJNHOIVCGAAP-UHFFFAOYSA-N
DG01606	SR-9011	57394021	"SR9011; 1379686-29-9; SR-9011; 3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]-N-pentylpyrrolidine-1-carboxamide; CHEMBL1961797; 1-Pyrrolidinecarboxamide, 3-((((4-chlorophenyl)methyl)((5-nitro-2-thienyl)methyl)amino)methyl)-n-pentyl-; GTPL8900; BDBM50366239; CS-4668; DB14014; SB19005; SR 9011; NCGC00347956-01; AS-55867; HY-16988; H12052; A927677; Q15410183; 3-(((4-Chlorobenzyl)((5-nitrothiophen-2-yl)methyl)amino)methyl)-N-pentylpyrrolidine-1-carboxamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	DB14014	.	.	479	10	C23H31ClN4O3S	110	600	5.3	32	1	5	CCCCCNC(=O)N1CCC(C1)CN(CC2=CC=C(C=C2)Cl)CC3=CC=C(S3)[N+](=O)[O-]	"InChI=1S/C23H31ClN4O3S/c1-2-3-4-12-25-23(29)27-13-11-19(16-27)15-26(14-18-5-7-20(24)8-6-18)17-21-9-10-22(32-21)28(30)31/h5-10,19H,2-4,11-17H2,1H3,(H,25,29)"	PPUYOYQTTWJTIU-UHFFFAOYSA-N
DG01607	LY-3023414	57519748	"LY3023414; Samotolisib; 1386874-06-1; LY-3023414; GTPL8918; UNII-C88817F47Y; Samotolisib (USAN); Samotolisib [USAN]; C88817F47Y; LY 3023414; 8-[5-(2-hydroxypropan-2-yl)pyridin-3-yl]-1-[(2S)-2-methoxypropyl]-3-methylimidazo[4,5-c]quinolin-2-one; 2H-Imidazo(4,5-C)quinolin-2-one, 1,3-dihydro-8-(5-(1-hydroxy-1-methylethyl)-3-pyridinyl)-1-((2S)-2-methoxypropyl)-3-methyl-; 8-[5-(1-hydroxy-1-methylethyl)pyridin-3-yl]-1-[(2S)-2-methoxypropyl]-3-methyl-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one; example 1 [US8440829]; 2H-Imidazo[4,5-c]quinolin-2-one, 1,3-dihydro-8-[5-(1-hydroxy-1-methylethyl)-3-pyridinyl]-1-[(2S)-2-methoxypropyl]-3-methyl-; CHEMBL4297181; SCHEMBL10321700; BCP16703; EX-A2728; NSC789968; NSC800994; s8322; WHO 10889; ZINC143116580; AT19320; CCG-264765; CS-5361; DB12167; NSC-789968; NSC-800994; NCGC00485487-01; AC-30224; HY-12513; A16126; D11501; A856859; LY-3023414;LY 3023414; Q27082852; (S)-8-(5-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-(2-methoxypropyl)-3-methyl-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one; (S)-8-(5-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-(2-methoxypropyl)-3-methyl-1H-imidazo[4,5-c]quinolin-2(3H)-one; 1,3-Dihydro-8-[5-(1-hydroxy-1-methylethyl)-3-pyridinyl]-1-[(2S)-2-methoxypropyl]-3-methyl-2H-imidazo[4,5-c]quinolin-2-one"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB12167	.	.	406.5	5	C23H26N4O3	78.8	630	1.7	30	1	5	C[C@@H](CN1C2=C3C=C(C=CC3=NC=C2N(C1=O)C)C4=CC(=CN=C4)C(C)(C)O)OC	"InChI=1S/C23H26N4O3/c1-14(30-5)13-27-21-18-9-15(16-8-17(11-24-10-16)23(2,3)29)6-7-19(18)25-12-20(21)26(4)22(27)28/h6-12,14,29H,13H2,1-5H3/t14-/m0/s1"	ACCFLVVUVBJNGT-AWEZNQCLSA-N
DG01608	AZD1208	58423153	"AZD1208; 1204144-28-4; AZD-1208; UNII-S98NFM1378; (R,Z)-5-((2-(3-aminopiperidin-1-yl)-[1,1'-biphenyl]-3-yl)methylene)thiazolidine-2,4-dione; CHEMBL2048872; S98NFM1378; (5Z)-5-({2-[(3R)-3-Aminopiperidin-1-yl]-3-phenylphenyl}methylidene)-1,3-thiazolidine-2,4-dione; AZD 1208; 5-[[2-[(3R)-3-Aminopiperidin-1-yl]biphenyl-3-yl]methylidene]-1,3-thiazolidine-2,4-dione; (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-phenylphenyl]methylidene]-1,3-thiazolidine-2,4-dione; GTPL7698; SCHEMBL1580644; AOB87151; EX-A1804; 2236AH; BDBM50387298; MFCD25976757; NSC776066; NSC799343; s7104; ZINC84670255; AKOS025404917; CCG-268400; CS-1668; NSC-776066; NSC-799343; AC-33162; AS-35166; HY-15604; QC-11435; SW219766-1; A13203; Q27074698; (R,Z)-5-((2-(3-Aminopiperidin-1-yl)biphenyl-3-yl)methylene)thiazolidine-2,4-dione"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	379.5	3	C21H21N3O2S	101	602	3.6	27	2	5	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\\4/C(=O)NC(=O)S4)N	"InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/b18-12-/t16-/m1/s1"	MCUJKPPARUPFJM-UWCCDQBKSA-N
DG01609	A-1155463	59447577	"A-1155463; 1235034-55-5; CHEMBL3342332; A1155463; 2-[8-(1,3-Benzothiazol-2-Ylcarbamoyl)-3,4-Dihydroisoquinolin-2(1h)-Yl]-5-(3-{4-[3-(Dimethylamino)prop-1-Yn-1-Yl]-2-Fluorophenoxy}propyl)-1,3-Thiazole-4-Carboxylic Acid; 2-[8-[(2-Benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-5-[3-[4-[3-(dimethylamino)-1-propyn-1-yl]-2-fluorophenoxy]propyl]-4-thiazolecarboxylic acid; A 1155463; SCHEMBL2501550; BCP18309; EX-A1060; BDBM50030754; MFCD29924714; s7800; ZINC163914635; CCG-270355; CS-5398; BS-14688; HY-19725; Q27453707; 2-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-(3-(4-(3-(dimethylamino)prop-1-yn-1-yl)-2-fluorophenoxy)propyl)thiazole-4-carboxylic acid; 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[3-(dimethylamino)prop-1-ynyl]-2-fluorophenoxy]propyl]-1,3-thiazole-4-carboxylic acid; 3CQ"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	669.8	11	C35H32FN5O4S2	164	1150	4.8	47	2	11	CN(C)CC#CC1=CC(=C(C=C1)OCCCC2=C(N=C(S2)N3CCC4=C(C3)C(=CC=C4)C(=O)NC5=NC6=CC=CC=C6S5)C(=O)O)F	"InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42)"	SOYCFODXNRVBTI-UHFFFAOYSA-N
DG01610	Berzosertib	59472121	"VE-822; 1232416-25-9; Berzosertib; VX-970; VE822; UNII-L423PRV3V3; VE 822; VX970; VE-822 (VX-970); 5-(4-(isopropylsulfonyl)phenyl)-3-(3-(4-((methylamino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-amine; L423PRV3V3; 3-(3-{4-[(METHYLAMINO)METHYL]PHENYL}-1,2-OXAZOL-5-YL)-5-[4-(PROPANE-2-SULFONYL)PHENYL]PYRAZIN-2-AMINE; 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine; M6620; 2-Pyrazinamine, 3-(3-(4-((methylamino)methyl)phenyl)-5-isoxazolyl)-5-(4-((1-methylethyl)sulfonyl)phenyl)-; BDBM50226746; 2-Pyrazinamine, 3-[3-[4-[(methylamino)methyl]phenyl]-5-isoxazolyl]-5-[4-[(1-methylethyl)sulfonyl]phenyl]-; 3-(3-(4-((METHYLAMINO)METHYL)PHENYL)-1,2-OXAZOL-5-YL)-5-(4-(PROPANE-2-SULFONYL)PHENYL)PYRAZIN-2-AMINE; 3-[3-[4-[(Methylamino)methyl]phenyl]-5-isoxazolyl]-5-[4-[(1-methylethyl)sulfonyl]phenyl]-2-pyrazinamine; 5-(4-(isopropylsulfonyl)phenyl)-3-(3-(4-((methylamino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-amine.; Berzosertib [USAN]; VX-970;Berzosertib; Berzosertib (USAN/INN); Berzosertib (VE-822); AGN-PC-0CXKB3; GTPL8003; SCHEMBL3061890; CHEMBL3989870; EX-A529; CHEBI:131166; BDBM350085; HMS3653C05; HMS3747I11; AOB87712; BCP07948; 2789AH; MFCD27976794; NSC777718; s7102; US10208027, Compound II-1; US10208027, Compound II-2; US10208027, Compound II-3; US10208027, Compound II-4; VX 970; ZINC96170459; AKOS025404905; CCG-264673; CS-1861; DB11794; NSC-777718; SB17265; NCGC00386313-07; AC-32951; AS-17041; DA-46989; HY-13902; QC-10953; FT-0700136; SW220202-1; A13289; D11148; M-6620; A857986; Q27089129; 5-(4-isopropylsulfonylphenyl)-3-[3-[4-(methylaminomethyl)phenyl]isoxazol-5-yl]pyrazin-2-amine; Synthesis of 3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isoxazol-5-yl]-5-(4-isopropylsulfonylphenyl)pyrazin-2-amine"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:131166	DB11794	.	.	463.6	7	C24H25N5O3S	132	714	2.3	33	2	8	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	"InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)"	JZCWLJDSIRUGIN-UHFFFAOYSA-N
DG01611	EPZ005687	60160561	"EPZ005687; 1396772-26-1; EPZ-005687; 1-cyclopentyl-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(4-(morpholinomethyl)phenyl)-1H-indazole-4-carboxamide; EPZ 005687; 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide; EZH2 Inhibitor, EPZ005687; UNII-GQ4LD5KG1E; GQ4LD5KG1E; GTPL8387; SCHEMBL12684069; AOB1761; DTXSID80733849; EX-A429; CHEBI:124922; EPZ 5687 [WHO-DD]; C32H37N5O3; BCP07899; EPZ 5687; EPZ-5687; WFC77226; 2398AH; MFCD25372029; NSC783332; s7004; ZINC98043813; AKOS026750254; CCG-269957; CS-1215; NSC-783332; SB19050; NCGC00351604-01; NCGC00351604-09; NCGC00351604-12; AC-32708; AS-16367; DA-34778; HY-15555; QC-11445; FT-0700189; Q27077206; 1-Cyclopentyl-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-{4-[(morpholin-4-yl)methyl]phenyl}-1H-indazole-4-carboxamide; 1H-Indazole-4-carboxamide, 1-cyclopentyl-N-((1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl)-6-(4-(4-morpholinylmethyl)phenyl)-; cyclopentyl-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(4-(morpholinomethyl)phenyl)-1H-indazole-4-carboxamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:124922	.	.	.	539.7	7	C32H37N5O3	88.5	991	3.7	40	2	5	CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC=C(C=C4)CN5CCOCC5)C6CCCC6)C	"InChI=1S/C32H37N5O3/c1-21-15-22(2)35-32(39)28(21)18-33-31(38)27-16-25(17-30-29(27)19-34-37(30)26-5-3-4-6-26)24-9-7-23(8-10-24)20-36-11-13-40-14-12-36/h7-10,15-17,19,26H,3-6,11-14,18,20H2,1-2H3,(H,33,38)(H,35,39)"	ZOIBZSZLMJDVDQ-UHFFFAOYSA-N
DG01612	DEBIO-1347	66555680	"1265229-25-1; CH5183284; Debio-1347; zoligratinib; CH-5183284; CH5183284 (Debio-1347); Debio 1347; UNII-NR9ZYH80Z8; FF284; NR9ZYH80Z8; CHEMBL3907479; (5-Amino-1-(2-methyl-1H-benzo[d]imidazol-6-yl)-1H-pyrazol-4-yl)(1H-indol-2-yl)methanone; [5-Amino-1-(2-Methyl-1h-Benzimidazol-6-Yl)-1h-Pyrazol-4-Yl](1h-Indol-2-Yl)methanone; [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone; Fgfr inhibitor debio 1347; DEBIO1347; GTPL9787; SCHEMBL10002991; HMS3674G21; HMS3748K13; BCP14354; EX-A1122; BDBM50197683; MFCD28502053; NSC782363; NSC800074; s7665; ZINC98209140; AKOS027427006; CH5183284; Debio-1347; CCG-264725; CS-5504; DB12903; NSC-782363; NSC-800074; SB16908; Methanone, (5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl)-1H-indol-2-yl-; NCGC00386433-01; AC-32960; BS-14797; HY-19957; CH 5183284; J3.616.632K; A14415; A901067; Q27285013; (5-amino-1-(2-methyl-3H-benzo[d]imidazol-5-yl)-1H-pyrazol-4-yl)(1H-indol-2-yl)methanone; [5-amino-1-(2-methyl-1H-benzimidazol-5-yl)-1H-pyrazol-4-yl]-(1H-indol-2-yl) methanone; [5-Amino-1-(2-methyl-1H-benzimidazol-5-yl)-1H-pyrazol-4-yl]-(1H-indol-2-yl)-methanone; [5-amino-1-(2-methyl-1H-benzimidazol-5-yl)-1H-pyrazol-4-yl]-(1H-indol-2-yl)methanone; [5-amino-1-(2-methyl-3h-benzimidazol-5-yl)pyrazol-4-yl](1h-indol-2-yl)methanone; 1-(2-Methyl-1H-benzoimidazole-6-yl)-4-(1H-indole-2-ylcarbonyl)-1H-pyrazole-5-amine; LWJ"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB12903	.	.	356.4	3	C20H16N6O	105	573	3.9	27	3	4	CC1=NC2=C(N1)C=C(C=C2)N3C(=C(C=N3)C(=O)C4=CC5=CC=CC=C5N4)N	"InChI=1S/C20H16N6O/c1-11-23-16-7-6-13(9-17(16)24-11)26-20(21)14(10-22-26)19(27)18-8-12-4-2-3-5-15(12)25-18/h2-10,25H,21H2,1H3,(H,23,24)"	BEMNJULZEQTDJY-UHFFFAOYSA-N
DG01613	Tazemetostat	66558664	"Tazemetostat; 1403254-99-8; EPZ-6438; EPZ6438; N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4-methyl-4'-(morpholinomethyl)-[1,1'-biphenyl]-3-carboxamide; E7438; UNII-Q40W93WPE1; EPZ 6438; E-7438; Tazemetostat (EPZ-6438); Q40W93WPE1; MFCD24849415; N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide; Tazemetostat [INN]; Tazverik; Tazemetostat [USAN]; Tazemetostat (USAN/INN); Tazemetostat [USAN:INN]; E 7438; Tazemetostat(EPZ-6438); GTPL7011; CHEMBL3414621; SCHEMBL13276848; SCHEMBL19325409; SCHEMBL22210809; EX-A509; HMS3653O07; HMS3747A09; AOB87748; BCP07409; EPZ-7438; 2399AH; NSC777109; NSC791066; s7128; AKOS026750211; ZINC100285161; CCG-264672; CS-1758; DB12887; NSC-777109; NSC-791066; SB22955; NCGC00381562-01; NCGC00381562-10; (1,1'-Biphenyl)-3-carboxamide, N-((1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl)-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4-methyl-4'-(4-morpholinylmethyl)-; AC-30931; AS-55991; DA-34776; HY-13803; N-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(oxan-4-yl)amino)-4-methyl-4'-((morpholin-4-yl)methyl)(1,1'-biphenyl)-3-carboxamide; QC-11696; SY040988; FT-0700193; SW220030-1; A12712; D11444; J-690163; J-690164; Q27088941; EPZ-6438; EPZ 6438; E7438; Tazemetostat; E-7438; E 7438; (R,Z)-1-(1-(1-(ethylsulfonyl)piperidin-4-yl)ethyl)-N-((2-hydroxy-4-methoxy-6-methylpyridin-3-yl)methyl)-2-methyl-1H-indole-3-carbimi dic acid; 5-(Ethyl(tetrahydro-2H-pyran-4-yl)amino)-N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-4-methyl-4'-(morpholinomethyl)-[1,1'-biphenyl]-3-carboxamide; N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl) methyl)-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4-methyl-4'-(morpholinomethyl)-[1,1'-biphenyl]-3-carboxamide; N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4-methyl-4'-(morpholinomethyl)biphenyl-3-carboxamide; N-[(4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-5-[ethyl(tetrahydropyran-4-yl)amino]-4-methyl-4 inverted exclamation mark -(morpholinomethyl)biphenyl-3-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12887	.	.	572.7	9	C34H44N4O4	83.1	992	4.2	42	2	6	CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCOCC5	"InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40)"	NSQSAUGJQHDYNO-UHFFFAOYSA-N
DG01614	G007-LK	67960134	"G007-LK; 1380672-07-0; CHEMBL2325503; (E)-4-(5-(2-(4-(2-chlorophenyl)-5-(5-(methylsulfonyl)pyridin-2-yl)-4H-1,2,4-triazol-3-yl)vinyl)-1,3,4-oxadiazol-2-yl)benzonitrile; 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonylpyridin-2-yl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]benzonitrile; 4-{5-[(E)-2-{4-(2-Chlorophenyl)-5-[5-(Methylsulfonyl)pyridin-2-Yl]-4h-1,2,4-Triazol-3-Yl}ethenyl]-1,3,4-Oxadiazol-2-Yl}benzonitrile; benzonitrile, 4-[5-[(1E)-2-[4-(2-chlorophenyl)-5-[5-(methylsulfonyl)-2-pyridinyl]-4H-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-; 4hyf; C25H16ClN7O3S; SCHEMBL9904844; SCHEMBL9904845; AOB4444; EX-A656; G007 LK;G007LK; G-007-LK; 3686AH; BDBM50427989; s7239; ZINC95582938; CCG-269912; NCGC00390587-01; NCGC00390587-03; AC-33045; AS-75199; B5830; A900891; A1-02247; J-690154; Q27451850; (E)-4-(5-(2-(4-(2-Chlorophenyl)-5-(5-(methylsulfonyl)pyridin-2-yl)-4H-1,2,4-triazol-3-yl)vinyl)-1,3,4-oxadiazol-2-yl)benzonitrile;G007-LK; 1-[6-(3,5-Dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone hydrochlorid e (1:1); 1AK; 4-{5-[(1E)-2-[4-(2-chlorophenyl)-5-(5-methanesulfonylpyridin-2-yl)-4H-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl}benzonitrile"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	530	6	C25H16ClN7O3S	149	961	3.1	37	0	9	CS(=O)(=O)C1=CN=C(C=C1)C2=NN=C(N2C3=CC=CC=C3Cl)/C=C/C4=NN=C(O4)C5=CC=C(C=C5)C#N	"InChI=1S/C25H16ClN7O3S/c1-37(34,35)18-10-11-20(28-15-18)24-31-29-22(33(24)21-5-3-2-4-19(21)26)12-13-23-30-32-25(36-23)17-8-6-16(14-27)7-9-17/h2-13,15H,1H3/b13-12+"	HIWVLHPKZNBSBE-OUKQBFOZSA-N
DG01615	Mps-BAY2b	67974488	"CHEMBL3410060; N-cyclopropyl-4-{8-[(2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide; 1263420-68-3; SCHEMBL9938616; BDBM50072833; N-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide; 8Q5"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	349.4	6	C20H23N5O	71.3	487	3.8	26	2	4	CC(C)CNC1=NC=CN2C1=NC=C2C3=CC=C(C=C3)C(=O)NC4CC4	"InChI=1S/C20H23N5O/c1-13(2)11-22-18-19-23-12-17(25(19)10-9-21-18)14-3-5-15(6-4-14)20(26)24-16-7-8-16/h3-6,9-10,12-13,16H,7-8,11H2,1-2H3,(H,21,22)(H,24,26)"	QTOFVYOMOKYCEQ-UHFFFAOYSA-N
DG01616	MTOR inhibitors	68026984	"UNII-843G0TDV51; ME-344; 843G0TDV51; 1374524-68-1; 4,4'-(7-Hydroxy-8-methylchroman-3,4-diyl)diphenol; GTPL7961; SCHEMBL10073998; DB13062; 2H-1-Benzopyran-7-ol, 3,4-dihydro-3,4-bis(4-hydroxyphenyl)-8-methyl-, (3R,4S)-; Q27083823; 4,4'-((3R,4S)-7-Hydroxy-8-methylchroman-3,4-diyl)diphenol; (3R,4S)-3,4-bis(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol"	Phase 1/2	8	Clinical Trial Drug(s)	Phase 1/2	Small molecular drug	.	.	.	.	.	348.4	2	C22H20O4	69.9	453	4.4	26	3	4	CC1=C(C=CC2=C1OC[C@H]([C@H]2C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)O	"InChI=1S/C22H20O4/c1-13-20(25)11-10-18-21(15-4-8-17(24)9-5-15)19(12-26-22(13)18)14-2-6-16(23)7-3-14/h2-11,19,21,23-25H,12H2,1H3/t19-,21-/m0/s1"	QVCAATSEPLQVBX-FPOVZHCZSA-N
DG01617	Brigatinib	68165256	"Brigatinib; 1197953-54-0; ALUNBRIG; AP-26113; UNII-HYW8DB273J; Brigatinib (AP-26113); HYW8DB273J; AP 26113; (2-((5-chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide; 5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine; 2,4-Pyrimidinediamine, 5-chloro-N4-(2-(dimethylphosphinyl)phenyl)-N2-(2-methoxy-4-(4-(4-methyl-1-piperazinyl)-1-piperidinyl)phenyl)-; 2,4-Pyrimidinediamine, 5-chloro-N4-[2-(dimethylphosphinyl)phenyl]-N2-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-; 5-Chloro-N~4~-[2-(Dimethylphosphoryl)phenyl]-N~2~-{2-Methoxy-4-[4-(4-Methylpiperazin-1-Yl)piperidin-1-Yl]phenyl}pyrimidine-2,4-Diamine; Brigatinib [USAN]; Brigatiib; Alunbrig (TN); 5-Chloro-N4-(2-(dimethylphosphoryl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine; 5-chloro-N4-[2-(dimethylphosphoryl)phenyl]-N2-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine; 6GY; Brigatinib (JAN/USAN); Brigatinib [USAN:INN]; Brigatinib; AP26113; Brigatinib (AP26113); GTPL7741; CHEMBL3545311; SCHEMBL11916361; EX-A775; AMY10294; BCP17214; BDBM50185140; MFCD29472221; NSC784728; NSC787457; AKOS030257612; ZINC148723177; CS-4278; DB12267; NSC-784728; NSC-787457; SB40412; compound 11q [PMID: 27144831]; NCGC00483924-01; (2-((5-Chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethyl-,delta5-phosphanone; 5-Chloro-N4-(2-(dimethylphosphoryl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1- yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine; 5-chloro-N4-[2-(dimethylphosphinyl)phenyl]-N2-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-2,4-Pyrimidinediamine; AC-29958; AS-75176; HY-12857; DB-118419; FT-0700112; S8229; J3.535.964H; D10866; Q27456393"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12267	DR0228	DR00368	584.1	8	C29H39ClN7O2P	85.9	835	4.6	40	2	9	CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC	"InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)"	AILRADAXUVEEIR-UHFFFAOYSA-N
DG01618	GSK126	68210102	"GSK126; 1346574-57-9; GSK-126; GSK 126; GSK2816126; (S)-1-(sec-Butyl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide; EZH2 inhibitor; UNII-W4OGW9QZ97; GSK-2816126; W4OGW9QZ97; CHEMBL3287735; 1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide; 1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-ylpyridin-3-yl)indole-4-carboxamide; A9G; N-((1,2-Dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl)-3-methyl-1-((1S)-1-methylpropyl)-6-(6-(1-piperazinyl)-3-pyridinyl)-1H-indole-4-carboxamide; N-[(1,2-Dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-methyl-1-[(1S)-1-methylpropyl]-6-[6-(1-piperazinyl)-3-pyridinyl]-1H-indole-4-carboxamide; GSK126 HCl; GSK-126 HCl; MLS006010251; GTPL7012; SCHEMBL12180401; AOB1764; EX-A499; SYN5012; CHEBI:124921; BCP06129; BDBM50017293; GSK-2816126A; NSC780041; NSC789702; s7061; ZINC72318146; AKOS027322309; CCG-269895; CS-1401; NSC-780041; NSC-789702; QC-9703; NCGC00347286-01; 1H-Indole-4-carboxamide, N-((1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl)-3-methyl-1-((1S)-1-methylpropyl)-6-(6-(1-piperazinyl)-3-pyridinyl)-; AS-16379; HY-13470; SMR004701327; X5824; Q27077865; EZH2 inhibitor;GSK-126;GSK 126;GSK2816126A;GSK-2816126A;GSK 2816126A; (S)-1-sec-butyl-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide; N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-3-methyl-1-[(1S)-1-methylpropyl]-6-[6-(1-piperazinyl)-3-pyridinyl]-1H-indole-4-carboxamide"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:124921	.	.	.	526.7	7	C31H38N6O2	91.3	972	3.9	39	3	5	CC[C@H](C)N1C=C(C2=C(C=C(C=C21)C3=CN=C(C=C3)N4CCNCC4)C(=O)NCC5=C(C=C(NC5=O)C)C)C	"InChI=1S/C31H38N6O2/c1-6-22(5)37-18-20(3)29-25(30(38)34-17-26-19(2)13-21(4)35-31(26)39)14-24(15-27(29)37)23-7-8-28(33-16-23)36-11-9-32-10-12-36/h7-8,13-16,18,22,32H,6,9-12,17H2,1-5H3,(H,34,38)(H,35,39)/t22-/m0/s1"	FKSFKBQGSFSOSM-QFIPXVFZSA-N
DG01619	BAY1125976	70817911	"BAY1125976; 1402608-02-9; BAY-1125976; UNII-ZL7A1UM87X; ZL7A1UM87X; 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide; Imidazo[1,2-b]pyridazine-6-carboxamide, 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-; 1402608-02-9 (free base); 2-(4-(1-aminocyclobutyl)phenyl)-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide; 2-(4-(1-Aminocyclobutyl)phenyl)-3-phenylimidazo(1,2-b)pyridazine-6-carboxamide; Imidazo(1,2-b)pyridazine-6-carboxamide, 2-(4-(1-aminocyclobutyl)phenyl)-3-phenyl-; CHEMBL4751394; SCHEMBL12986078; US9604989, Example 5; GTPL10908; BDBM312517; BCP20659; CGC60802; EX-A3015; BAY112576; NSC793324; s8500; ZINC205604296; BAY-112576; CS-6212; NSC-793324; SB19771; BAY 1125976; Example 5 [WO2012136776A1]; AC-33646; HY-100018; BAY1125976;BAY 1125976; A921724"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	383.4	4	C23H21N5O	99.3	594	2.4	29	2	4	C1CC(C1)(C2=CC=C(C=C2)C3=C(N4C(=N3)C=CC(=N4)C(=O)N)C5=CC=CC=C5)N	"InChI=1S/C23H21N5O/c24-22(29)18-11-12-19-26-20(21(28(19)27-18)16-5-2-1-3-6-16)15-7-9-17(10-8-15)23(25)13-4-14-23/h1-3,5-12H,4,13-14,25H2,(H2,24,29)"	JBGYKRAZYDNCNV-UHFFFAOYSA-N
DG01620	ARQ 751	71138858	"Vevorisertib; UNII-V6SX910Y31; V6SX910Y31; 1416775-46-6; Vevorisertib [INN]; CHEMBL4802156; SCHEMBL14322498; ARQ-751; EX-A5803; HY-137458; CS-0138665; Acetamide, N-(1-(3-(3-(4-(1-aminocyclobutyl)phenyl)-2-(2-amino-3-pyridinyl)-3H-imidazo(4,5-b)pyridin-5-yl)phenyl)-4-piperidinyl)-N-methyl-; N-[1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-aminopyridin-3-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]piperidin-4-yl]-N-methylacetamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	586.7	6	C35H38N8O	119	976	4	44	2	7	CC(=O)N(C)C1CCN(CC1)C2=CC=CC(=C2)C3=NC4=C(C=C3)N=C(N4C5=CC=C(C=C5)C6(CCC6)N)C7=C(N=CC=C7)N	"InChI=1S/C35H38N8O/c1-23(44)41(2)26-15-20-42(21-16-26)28-7-3-6-24(22-28)30-13-14-31-34(39-30)43(33(40-31)29-8-4-19-38-32(29)36)27-11-9-25(10-12-27)35(37)17-5-18-35/h3-4,6-14,19,22,26H,5,15-18,20-21,37H2,1-2H3,(H2,36,38)"	NZDSLYATTDIDPH-UHFFFAOYSA-N
DG01621	AGI-6780	71299339	"AGI-6780; 1432660-47-3; AGI6780; N-cyclopropyl-4-(thiophen-3-yl)-3-(3-(3-(trifluoromethyl)phenyl)ureido)benzenesulfonamide; AGI 6780; 1-[5-(Cyclopropylsulfamoyl)-2-Thiophen-3-Yl-Phenyl]-3-[3-(Trifluoromethyl)phenyl]urea; 1-[5-(CYCLOPROPYLSULFAMOYL)-2-(THIOPHEN-3-YL)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA; MLS006011046; CHEMBL3392845; SCHEMBL15702521; AOB2268; C21H18F3N3O3S2; DTXSID50744321; EX-A356; QCR-283; BDBM339679; HMS3653I21; HMS3744K17; HMS3865L13; BCP07383; 2198AH; FD5013; MFCD26097285; NSC781409; s7241; US10202339, Compound 124; ZINC95803998; AKOS024462890; CCG-269561; CS-1556; NSC-781409; SB19578; NCGC00347935-01; NCGC00347935-02; NCGC00347935-08; AS-55922; DA-35354; HY-15734; SMR004702838; FT-0764734; SW220033-1; Q27452174; S900006230; 1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea; 3-(5-(cyclopropylsulfamoyl)-2-(thiophen-3-yl)phenyl)-1-(3-(trifluoromethyl)phenyl)urea; N-Cyclopropyl-3-[3-[3-(trifluoromethyl)phenyl]ureido]-4-(3-thienyl)benzenesulfonamide; 1K9; N-Cyclopropyl-4-(thiophen-3-yl)-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide; N-Cyclopropyl-4-(thiophen-3-yl)-3-(3-(3-(trifluoromethyl)phenyl)ureido)benzenesulfonamide  "	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	481.5	6	C21H18F3N3O3S2	124	771	4.2	32	3	8	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	"InChI=1S/C21H18F3N3O3S2/c22-21(23,24)14-2-1-3-16(10-14)25-20(28)26-19-11-17(32(29,30)27-15-4-5-15)6-7-18(19)13-8-9-31-12-13/h1-3,6-12,15,27H,4-5H2,(H2,25,26,28)"	CCAWRGNYALGPQH-UHFFFAOYSA-N
DG01622	AZ5104	71496460	"AZ5104; 1421373-98-9; AZ-5104; N-(5-((4-(1H-indol-3-yl)pyrimidin-2-yl)amino)-2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxyphenyl)acrylamide; UNII-2DWZ6SE1E1; 2DWZ6SE1E1; CHEMBL3353411; N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide; AZD5104; AZ 5104; Osimertinib metabolite M6; SCHEMBL14663428; GTPL11580; EX-A824; AMY16678; AOB87166; BCP08428; HY-B0793; BDBM50029689; MFCD28899992; s7298; AKOS025404698; ZINC147059673; CCG-269587; CS-5192; NCGC00387805-01; AS-55926; DA-45003; QC-11825; B5836; FT-0733191; F14245; A885228; 2-Propenamide, N-(2-((2-(dimethylamino)ethyl)methylamino)-5-((4-(1H-indol-3-yl)-2-pyrimidinyl)amino)-4-methoxyphenyl)-; N-(2-((2-(Dimethylamino)ethyl)methylamino)-5-((4-(1H-indol-3-yl)-2-pyrimidinyl)amino)-4-methoxyphenyl)-2-propenamide; N-(2-[2-Dimethylaminoethyl-methylamino]-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)prop-2-enamide; N-(2-{[2-(DIMETHYLAMINO)ETHYL](METHYL)AMINO}-5-{[4-(1H-INDOL-3-YL)PYRIMIDIN-2-YL]AMINO}-4-METHOXYPHENYL)PROP-2-ENAMIDE; N-[2-(2-Dimethylaminoethylmethylamino)-5-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	485.6	10	C27H31N7O2	98.4	722	3.8	36	3	7	CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CNC4=CC=CC=C43)OC	"InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32)"	IQNVEOMHJHBNHC-UHFFFAOYSA-N
DG01623	Ripretinib	71584930	"1442472-39-0; DCC-2618; N-{4-bromo-5-[1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3- yl]-2-fluorophenyl}-N'-phenylurea; Ripretinib; Urea, N-[4-bromo-5-[1-ethyl-1,2-dihydro-7-(methylamino)-2-oxo-1,6- naphthyridin-3-yl]-2-fluorophenyl]-N'-phenyl-39-0; Ripretinib free base; Ripretinib (DCC-2618); UNII-9XW757O13D; 9XW757O13D; Ripretinib (USAN); Ripretinib [USAN]; 1442472-39-0 (free base); 1-(4-bromo-5-(1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-2-fluorophenyl)-3-phenylurea; 1-[4-bromo-5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluorophenyl]-3-phenylurea; Quinlock; Qinlock (TN); GTPL9175; CHEMBL4216467; SCHEMBL14999718; DCC2618; BCP29218; EX-A4883; s8757; AT18473; DB14840; HY-112306; CS-0044835; D11353; DCC 2618;DCC2618;KIT/PDGFR inhibitor;Ripretinib; N-(4-bromo-5-(1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-2-fluorophenyl)-N'-phenylurea; Urea, N-(4-bromo-5-(1-ethyl-1,2-dihydro-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl)-2-fluorophenyl)-N'-phenyl-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB14840	.	.	510.4	5	C24H21BrFN5O2	86.4	746	4.1	33	3	5	CCN1C2=CC(=NC=C2C=C(C1=O)C3=CC(=C(C=C3Br)F)NC(=O)NC4=CC=CC=C4)NC	"InChI=1S/C24H21BrFN5O2/c1-3-31-21-12-22(27-2)28-13-14(21)9-17(23(31)32)16-10-20(19(26)11-18(16)25)30-24(33)29-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,27,28)(H2,29,30,33)"	CEFJVGZHQAGLHS-UHFFFAOYSA-N
DG01624	BAY1161909	71599640	"Empesertib; 1443763-60-7; Mps1-IN-5; BAY 1161909; BAY-1161909; BAY1161909; UNII-02Y3Z2756M; 02Y3Z2756M; (2R)-2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-methylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide; (-)-BAY-1161909; (2R)-2-(4-Fluorophenyl)-N-(4-(2-((2-methoxy-4-(methylsulfonyl)phenyl)amino)(1,2,4)triazolo(1,5-a)pyridin-6-yl)phenyl)propanamide; (2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(methylsulfonyl)phenyl]amino}[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propanamide; Empesertib [INN]; Empesertib [WHO-DD]; GTPL9427; CHEMBL4303241; SCHEMBL15036597; BDBM329334; BCP23811; EX-A3543; BAY1161909;Mps1-IN-5; NSC787025; AKOS028109757; ZINC206769279; CS-4887; NSC-787025; US9663510, Example 01.01; NCGC00488781-01; AS-82506; BB177693; Benzeneacetamide, 4-fluoro-N-[4-[2-[[2-methoxy-4-(methylsulfonyl)phenyl]amino][1,2,4]triazolo[1,5-a]; Benzeneacetamide, 4-fluoro-N-[4-[2-[[2-methoxy-4-(methylsulfonyl)phenyl]amino][1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]- -methyl-, ( R)-; HY-12858; D83662; A908652; BAY1161909; BAY-1161909; BAY 1161909;Mps1-IN-5; (2R)-2-(4-Fluorophenyl)-N-(4-(2-((4-(methanesulfonyl)-2-methoxyphenyl)amino)(1,2,4)triazolo(1,5-a)pyridin-6-yl)phenyl)propanamide; (2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(methylsulfonyl)phenyl]-amino}[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propanamide; (2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(methylsulfonyl)phenyl]amino}[1,2,4]triazolo[1,5-alpha]pyridin-6-yl)phenyl]propanamide; (alphaR)-4-Fluoro-N-(4-(2-((2-methoxy-4-(methylsulfonyl)phenyl)amino)(1,2,4)triazolo(1,5-a)pyridin-6-yl)phenyl)-alpha-methylbenzeneacetamide; Benzeneacetamide, 4-fluoro-N-(4-(2-((2-methoxy-4-(methylsulfonyl)phenyl)amino)(1,2,4)triazolo(1,5-a)pyridin-6-yl)phenyl)-alpha-methyl-, (alphaR)-"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	559.6	8	C29H26FN5O4S	123	951	4.9	40	2	8	C[C@H](C1=CC=C(C=C1)F)C(=O)NC2=CC=C(C=C2)C3=CN4C(=NC(=N4)NC5=C(C=C(C=C5)S(=O)(=O)C)OC)C=C3	"InChI=1S/C29H26FN5O4S/c1-18(19-4-9-22(30)10-5-19)28(36)31-23-11-6-20(7-12-23)21-8-15-27-33-29(34-35(27)17-21)32-25-14-13-24(40(3,37)38)16-26(25)39-2/h4-18H,1-3H3,(H,31,36)(H,32,34)/t18-/m1/s1"	NRJKIOCCERLIDG-GOSISDBHSA-N
DG01625	Ivosidenib	71657455	"Ivosidenib; 1448347-49-6; AG-120; Tibsovo; AG120; UNII-Q2PCN8MAM6; Q2PCN8MAM6; (2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide; (S)-N-((S)-1-(2-chlorophenyl)-2-((3,3-difluorocyclobutyl)amino)-2-oxoethyl)-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide; RG120; ivosidenibum; (2S)-N-{(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide; Ivosidenib [INN]; Tibsovo (TN); Ivosidenib [USAN]; Ivosidenib [WHO-DD]; Ivosidenib (USAN/INN); Ivosidenib [USAN:INN]; GTPL9217; CHEMBL3989958; SCHEMBL15122512; EX-A992; CHEBI:145430; BDBM363689; AMY38924; US9850277, Compound 176; MFCD29036964; NSC789102; s8206; ZINC205136523; CCG-270141; CS-5122; DB14568; NSC-789102; NCGC00476170-04; NCGC00476170-06; (S)-N-((S)-1-(2-chlorophenyl)-2-(3,3-difluorocyclobutylamino)-2-oxoethyl)-1-(4-cyanopyridin-2-yl)-N-; AC-32624; AS-35058; HY-18767; A14386; D11090; A900315; Q27895417; (2S)-1-(4-Cyano-2-pyridinyl)-5-oxo-L-prolyl-2-(2-chloroPh)-N-(3,3-difluorocyclobutyl)-N2-(5-fluoro-3-pyridinyl)-glycinamide; (S)-N-((S)-1-(2-chlorophenyl)-2-((3,3-difluorocyclobutyl)amino)-2-oxoethyl)-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide;AG-120; (S)-N-((S)-1-(2-chlorophenyl)-2-(3,3-difluorocyclobutylamino)-2-oxoethyl)-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide; Glycinamide, 1-(4-cyano-2-pyridinyl)-5-oxo-L-prolyl-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-N2-(5-fluoro-3-pyridinyl)-, (2S)-; N-{(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxo-L-prolinamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:145430	DB14568	.	DR00362	583	7	C28H22ClF3N6O3	119	1050	3.4	41	1	9	C1CC(=O)N([C@@H]1C(=O)N(C2=CC(=CN=C2)F)[C@@H](C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N	"InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1"	WIJZXSAJMHAVGX-DHLKQENFSA-N
DG01626	Naquotinib	71667668	"Naquotinib; 1448232-80-1; ASP8273; UNII-47DD4548PB; 2-Pyrazinecarboxamide, 6-ethyl-3-[[4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]amino]-5-[[(3R)-1-(1-oxo-2-propen-1-yl)-3-pyrrolidinyl]oxy]-; 47DD4548PB; ASP-8273; 6-ethyl-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxypyrazine-2-carboxamide; (R)-5-((1-acryloylpyrrolidin-3-yl)oxy)-6-ethyl-3-((4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino)pyrazine-2-carboxamide; e-2-carboxamide; 2-Pyrazinecarboxamide, 6-ethyl-3-((4-(4-(4-methyl-1-piperazinyl)-1-piperidinyl)phenyl)amino)-5-(((3R)-1-(1-oxo-2-propen-1-yl)-3-pyrrolidinyl)oxy)-; Naquotinib [USAN]; Naquotinib (USAN/INN); ASP8273 (Naquotinib); Naquotinib; ASP-8273; GTPL9248; CHEMBL3663929; SCHEMBL16196078; BDBM170514; EX-A2669; YHC23280; NSC793322; s8412; ZINC205341959; CCG-270060; CS-5469; DB12036; NSC-793322; AS-75247; HY-19729; J3.496.214F; A14408; C91356; D10958; US9085540, 54; A857977; Q27074546; 5-[[(3R)-1-Acryloylpyrrolidine-3-yl]oxy]-6-ethyl-3-[4-[4-(4-methylpiperazine-1-yl)piperidino]anilino]pyrazine-2-carboxamide; 6-Ethyl-3-((4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino)-5-(((3R)-1-(1-oxoprop-2-en-1-yl)pyrrolidin-3-yl)oxy)pyrazine-2-carboxamide; 6-ethyl-3-({4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}amino)-5-{[(3R)-1-(prop-2-enoyl)pyrrolidin-3-yl]oxy}pyrazine-2-carboxamide; 6-Ethyl-3-(4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)anilino)-5-(((3R)-1-(prop-2-enoyl)pyrrolidin-3-yl)oxy)pyrazine-2-carboxamide; 6-Ethyl-3-[[4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]amino]-5-[[(3R)-1-(1-oxo-2-propen-1-yl)-3-pyrrolidinyl]oxy]-2-pyrazinecarboxamide; 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB12036	.	.	562.7	9	C30H42N8O3	120	883	3.4	41	2	9	CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)O[C@@H]5CCN(C5)C(=O)C=C	"InChI=1S/C30H42N8O3/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34)/t24-/m1/s1"	QKDCLUARMDUUKN-XMMPIXPASA-N
DG01627	TAS-121	71682991	"UNII-Z36593C4RW; Z36593C4RW; SCHEMBL15220964; TAS-121; (S)-N-(4-amino-5-(quinolin-3-yl)-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl)acrylamide; 1451370-01-6; 2-Propenamide, N-((8S)-4-amino-6,7,8,9-tetrahydro-5-(3-quinolinyl)pyrimido(5,4-b)indolizin-8-yl)-; N-((8S)-4-Amino-6,7,8,9-tetrahydro-5-(3-quinolinyl)pyrimido(5,4-b)indolizin-8-yl)-2-propenamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	384.4	3	C22H20N6O	98.7	628	2.5	29	2	5	C=CC(=O)N[C@H]1CCC2=C(C3=C(N=CN=C3N2C1)N)C4=CC5=CC=CC=C5N=C4	"InChI=1S/C22H20N6O/c1-2-18(29)27-15-7-8-17-19(14-9-13-5-3-4-6-16(13)24-10-14)20-21(23)25-12-26-22(20)28(17)11-15/h2-6,9-10,12,15H,1,7-8,11H2,(H,27,29)(H2,23,25,26)/t15-/m0/s1"	POOPTPRMXSYFRV-HNNXBMFYSA-N
DG01628	LY3009120	71721540	"LY3009120; 1454682-72-4; LY-3009120; DP-4978; UNII-1GDT36RARO; LY 3009120; 1GDT36RARO; DP 4978; 1-(3,3-dimethylbutyl)-3-[2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]urea; CHEMBL3577124; 1-(3,3-Dimethylbutyl)-3-{2-Fluoro-4-Methyl-5-[7-Methyl-2-(Methylamino)pyrido[2,3-D]pyrimidin-6-Yl]phenyl}urea; 1-(3,3-Dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido(2,3-d)pyrimidin-6-yl)phenyl)urea; N-(3,3-Dimethylbutyl)-N'-[2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]urea; Urea, N-(3,3-dimethylbutyl)-N'-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido(2,3-d)pyrimidin-6-yl)phenyl)-; 1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl)phenyl)urea; Urea, N-(3,3-dimethylbutyl)-N'-[2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-; GTPL8943; SCHEMBL15241297; CHEBI:167662; BCP23869; EX-A1638; BDBM50096279; DP4978; NSC781761; NSC801010; s7842; ZINC205861291; CCG-268937; NSC-781761; NSC-801010; SB16924; NCGC00481604-01; AC-30240; AS-74984; HY-12558; QC-11801; DP-4978;LY-3009120; J3.580.324F; C72761; Q27082823; B2693-470864; 1-(2-Fluoro-4-methyl-5-(2-methylamino-7-methylpyrido[2,3-d]pyrimidine-6-yl)phenyl)-3-(3,3-dimethylbutyl)urea; 3-(3,3-DIMETHYLBUTYL)-1-{2-FLUORO-4-METHYL-5-[7-METHYL-2-(METHYLAMINO)PYRIDO[2,3-D]PYRIMIDIN-6-YL]PHENYL}UREA; 4Z5"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	424.5	6	C23H29FN6O	91.8	599	4.7	31	3	6	CC1=CC(=C(C=C1C2=C(N=C3C(=C2)C=NC(=N3)NC)C)NC(=O)NCCC(C)(C)C)F	"InChI=1S/C23H29FN6O/c1-13-9-18(24)19(29-22(31)26-8-7-23(3,4)5)11-16(13)17-10-15-12-27-21(25-6)30-20(15)28-14(17)2/h9-12H,7-8H2,1-6H3,(H2,26,29,31)(H,25,27,28,30)"	HHCBMISMPSAZBF-UHFFFAOYSA-N
DG01629	ACY-957	72374405	"1609389-52-7; ACY-957; N-[2-Amino-5-(2-thienyl)phenyl]-2-(1-piperazinyl)-6-quinolinecarboxamide; HDAC Inhibitor C001; N-(2-amino-5-thiophen-2-ylphenyl)-2-piperazin-1-ylquinoline-6-carboxamide; CHEMBL3927842; SCHEMBL15666003; BDBM182757; BCP25969; BA168232; US9145412, Table 1, Compound 23; ACY957;ACY 957;HDAC Inhibitor C001; HY-104008; CS-0023625; N-(2-Amino-5-(thiophen-2-yl)phenyl)-2-(piperazin-1-yl)quinoline-6-carboxamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	429.5	4	C24H23N5OS	112	615	3.5	31	3	6	C1CN(CCN1)C2=NC3=C(C=C2)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)C5=CC=CS5)N	"InChI=1S/C24H23N5OS/c25-19-6-3-17(22-2-1-13-31-22)15-21(19)28-24(30)18-4-7-20-16(14-18)5-8-23(27-20)29-11-9-26-10-12-29/h1-8,13-15,26H,9-12,25H2,(H,28,30)"	VURDNNVAYZDGDK-UHFFFAOYSA-N
DG01630	Nazartinib	72703790	"Nazartinib; EGF816; 1508250-71-2; EGF-816; UNII-KE7K32EME8; EGF 816; NVP-EGF816-NX; KE7K32EME8; CHEMBL3787344; NVS-816; N-[7-chloro-1-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]azepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide; N-{7-chloro-1-[(3R)-1-[(2E)-4-(dimethylamino)but-2-enoyl]azepan-3-yl]-1H-1,3-benzodiazol-2-yl}-2-methylpyridine-4-carboxamide; Nazartinib [USAN]; Nazartinib(EGF816); Nazartinib (USAN/INN); GTPL9204; SCHEMBL16767232; SCHEMBL16767240; EX-A1640; BDBM50160870; NSC787027; s7824; Nazartinib (EGF816, NVS-816); ZINC210610738; CCG-269658; NSC-787027; compound 47 [PMID: 27433829]; (R,E)-N-(7-chloro-1-(1-(4-(dimethylamino)but-2-enoyl)azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide; AC-29881; AS-75243; HY-12872; B5889; J3.535.960E; A14416; C72867; D11430; A884136; Q27087855; 4-Pyridinecarboxamide, N-[7-chloro-1-[(3R)-1-[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]hexahydro-1H-azepin-3-yl]-1H-benzimidazol-2-yl]-2-methyl-; N-[7-chloro-1-[(3r)-1-[(2e)-4-(dimethylamino)-1-oxo-2-buten-1-yl]hexahydro-1h-azepin-3-yl]-1h-benzimidazol-2-yl]-2-methyl-4-pyridinecarboxamide"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB16250	.	.	495	6	C26H31ClN6O2	83.4	764	3.2	35	1	5	CC1=NC=CC(=C1)C(=O)NC2=NC3=C(N2[C@@H]4CCCCN(C4)C(=O)/C=C/CN(C)C)C(=CC=C3)Cl	"InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1"	IOMMMLWIABWRKL-WUTDNEBXSA-N
DG01631	Abivertinib	72734520	"Avitinib; Abivertinib; 1557267-42-1; AC0010; N-(3-((2-((3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide; UNII-CER0OPG92L; CER0OPG92L; AC0010MA; EX-ACEA0010; ACEA100610; Abivertinib (USAN); Abivertinib [USAN]; 1557267-42-1 (free base); AC-0010; A610; N-[3-[[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide; 2-Propenamide, N-[3-[[2-[[3-fluoro-4-(4-methyl-1-piperazinyl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]-; N-(3-{2-[3-Fluoro-4-(4-methyl-piperazin-1-yl)-phenylamino]-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy-phenyl)-acrylamide; Avitinib free base; 2-Propenamide, N-(3-((2-((3-fluoro-4-(4-methyl-1-piperazinyl)phenyl)amino)-7H-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)phenyl)-; FUJOVEE; Avitinib (AC0010); avitinib (superceded INN); CHEMBL4297865; SCHEMBL15453394; GTPL10044; EX-A783; BDBM294480; Avitinib(AC0010/AC0010MA); BCP16381; US9586965, Cpd 3; MFCD29089376; s8741; ZINC142081723; AC 0010; CS-W008904; DB15327; DS-19269; HY-19816; N-(3-{2-[3-Fluoro-4-(4-methyl-piperazin-1-yl)-phenylamino]-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy}-phenyl)-acrylamide; CS-0016789; A16826; D11308; F17427; A927386; N-(3-((2-((3-fluoro-4-(4-methylpiperazin-1- yl)phenyl)amino)-7H-pyrrolo[2,3-d]- pyrimidin-4-yl)oxy)phenyl)acrylamide; N-(3-((2-((3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)phenyl)prop-2-enamide; N-(3-(2-(3-Fluoro-4-(4-methylpiperazin-1-yl)phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl)acrylamide; N-[3-[[2-[[3-fluoro-4-(4-methyl-1-piperazinyl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]-2-propenamide"	Patented	3	Patented Agent(s)	Patented	Small molecular drug	.	.	DB15327	.	.	487.5	7	C26H26FN7O2	98.4	752	4.2	36	3	8	CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)F	"InChI=1S/C26H26FN7O2/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32)"	UOFYSRZSLXWIQB-UHFFFAOYSA-N
DG01632	EBI-907	73427153	CHEMBL3751896; EBI-907; 1581764-31-9; SCHEMBL15577685; BDBM50140046; SB19682	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	507	8	C23H21ClF2N4O3S	105	817	4.6	34	2	8	COC1=C(C=C2C=NC3=NNC(=C3C2=C1)C4CC4)C5=C(C=CC(=C5Cl)NS(=O)(=O)CCCF)F	"InChI=1S/C23H21ClF2N4O3S/c1-33-18-10-14-13(11-27-23-20(14)22(28-29-23)12-3-4-12)9-15(18)19-16(26)5-6-17(21(19)24)30-34(31,32)8-2-7-25/h5-6,9-12,30H,2-4,7-8H2,1H3,(H,27,28,29)"	JSKJFDXTKYWPAH-UHFFFAOYSA-N
DG01633	AZD-8835	76685059	"AZD8835; AZD-8835; 1620576-64-8; AZD 8835; 1-(4-(5-(5-Amino-6-(5-(tert-butyl)-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-1-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-3-hydroxypropan-1-one; UNII-8B97A88D35; 8B97A88D35; 1-(4-{5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1H-1,2,4-triazol-3-yl}piperidin-1-yl)-3-hydroxypropan-1-one; 1-Propanone, 1-[4-[5-[5-amino-6-[5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl]-2-pyrazinyl]-1-ethyl-1H-1,2,4-triazol-3-yl]-1-piperidinyl]-3-hydroxy-; 1-(4-(5-(5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-1-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-3-hydroxypropan-1-one; 1-Propanone, 1-(4-(5-(5-amino-6-(5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl)-2-pyrazinyl)-1-ethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl)-3-hydroxy-; compound 25 [PMID: 26475521]; GTPL8915; CHEMBL3894518; SCHEMBL15877923; AZD 8835 [WHO-DD]; BDBM185362; BCP20347; EX-A2295; NSC786099; s7966; ZINC145460849; CCG-269444; CS-4984; NSC-786099; NCGC00484075-01; AC-32648; HY-12869; A16352; US9156831, 3; Q27074810; 1-[4-[5-[5-amino-6-[5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl]-2-; 1-[4-[5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-hydroxypropan-1-one"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	469.5	7	C22H31N9O3	162	685	0.1	34	2	10	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	"InChI=1S/C22H31N9O3/c1-5-31-19(26-18(29-31)13-6-9-30(10-7-13)15(33)8-11-32)14-12-24-17(23)16(25-14)20-27-28-21(34-20)22(2,3)4/h12-13,32H,5-11H2,1-4H3,(H2,23,24)"	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N
DG01634	AZD-3759	78209992	"AZD3759; 1626387-80-1; zorifertinib; AZD-3759; AZD 3759; (R)-4-((3-chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl 2,4-dimethylpiperazine-1-carboxylate; UNII-67SX9H68W2; CHEMBL3623290; 67SX9H68W2; 4-[(3-CHLORO-2-FLUOROPHENYL)AMINO]-7-METHOXYQUINAZOLIN-6-YL (2R)-2,4-DIMETHYLPIPERAZINE-1-CARBOXYLATE; (2R)-2,4-dimethyl-1-piperazinecarboxylic acid, 4-[(3-chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl ester; [4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate; 4-((3-Chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl (2R)-2,4-dimethylpiperazine-1-carboxylate; SCHEMBL16010006; GTPL10456; EX-A720; AMY10302; BDBM50123453; MFCD29058564; NSC788121; NSC800978; s7971; AKOS027327321; ZINC221149242; CCG-269329; CS-5029; DB14795; NSC-788121; NSC-800978; compound 1m [PMID: 26313252]; NCGC00483922-01; NCGC00483922-02; AC-29957; AS-74755; HY-18750; A882818; (2R)-2,4-Dimethyl-1-piperazinecarboxylic acid 4-[(3-chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl ester; (2R)-2,4-Dimethylpiperazine-1-carboxylic acid (4-(2-fluoro-3-chloroanilino)-7-methoxyquinazoline-6-yl) ester; (R)-4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl 2,4-dimethylpiperazine-1-carboxylate"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	DB14795	.	.	459.9	5	C22H23ClFN5O3	79.8	649	4.1	32	1	8	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	"InChI=1S/C22H23ClFN5O3/c1-13-11-28(2)7-8-29(13)22(30)32-19-9-14-17(10-18(19)31-3)25-12-26-21(14)27-16-6-4-5-15(23)20(16)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,25,26,27)/t13-/m1/s1"	MXDSJQHFFDGFDK-CYBMUJFWSA-N
DG01635	BAY1217389	78320750	"1554458-53-5; BAY1217389; Bay 1217389; BAY-1217389; UNII-M964LB1114; M964LB1114; Benzamide, N-cyclopropyl-4-[6-(2,3-difluoro-4-methoxyphenoxy)-8-[(3,3,3-trifluoropropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methyl-; N-cyclopropyl-4-[6-(2,3-difluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide; N-Cyclopropyl-4-(6-(2,3-difluoro-4-methoxyphenoxy)-8-((3,3,3-trifluoropropyl)amino)imidazo[1,2-b]pyridazin-3-yl)-2-methylbenzamide; Benzamide, N-cyclopropyl-4-(6-(2,3-difluoro-4-methoxyphenoxy)-8-((3,3,3-trifluoropropyl)amino)imidazo(1,2-b)pyridazin-3-yl)-2-methyl-; N-cyclopropyl-4-[6-(2,3-difluoro-4-methoxyphenoxy)-8-[(3,3,3-trifluoropropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide; CHEMBL4456085; SCHEMBL15555839; EX-A948; BDBM258444; BCP17401; NSC787026; s8215; ZINC221039372; CCG-265387; CS-6182; NSC-787026; HY-12859; FT-0700219; US9512130, 2; J-690208; 1-(6-Isoquinolinyl)-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]urea"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	561.5	9	C27H24F5N5O3	89.8	867	5.7	40	2	11	CC1=C(C=CC(=C1)C2=CN=C3N2N=C(C=C3NCCC(F)(F)F)OC4=C(C(=C(C=C4)OC)F)F)C(=O)NC5CC5	"InChI=1S/C27H24F5N5O3/c1-14-11-15(3-6-17(14)26(38)35-16-4-5-16)19-13-34-25-18(33-10-9-27(30,31)32)12-22(36-37(19)25)40-21-8-7-20(39-2)23(28)24(21)29/h3,6-8,11-13,16,33H,4-5,9-10H2,1-2H3,(H,35,38)"	WNEILUNVMHVMPH-UHFFFAOYSA-N
DG01636	E7090	78323434	"E-7090; E7090; 1622204-21-0; tasurgratinib; TN7CUD1NGA; UNII-TN7CUD1NGA; 5-((2-(4-(1-(2-hydroxyethyl)piperidin-4-yl)benzamido)pyridin-4-yl)oxy)-6-(2-methoxyethoxy)-N-methyl-1H-indole-1-carboxamide; 5-[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]pyridin-4-yl]oxy-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide; CHEMBL3686884; SCHEMBL15955142; GTPL11414; BDBM142256; Fgf/fgfr pathway inhibitor E7090; BCP29727; EX-A2908; NSC806388; NSC-806388; SB18854; Example 22 [WO2014129477A1]; HY-101466; CS-0021430; E 7090; E7090; US8933099, 22; Q27896113; 1H-Indole-1-carboxamide, 5-((2-((4-(1-(2-hydroxyethyl)-4-piperidinyl)benzoyl)amino)-4-pyridinyl)oxy)-6-(2-methoxyethoxy)-N-methyl-; 5-((2-(((4-(1-(2-Hydroxyethyl)piperidin-4-yl)phenyl)carbonyl)amino)pyridin-4-yl)oxy)-6-(2-methoxyethoxy)-N-methyl-1H-indole-1-carboxamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	587.7	11	C32H37N5O6	127	880	3.1	43	3	8	CNC(=O)N1C=CC2=CC(=C(C=C21)OCCOC)OC3=CC(=NC=C3)NC(=O)C4=CC=C(C=C4)C5CCN(CC5)CCO	"InChI=1S/C32H37N5O6/c1-33-32(40)37-14-10-25-19-29(28(21-27(25)37)42-18-17-41-2)43-26-7-11-34-30(20-26)35-31(39)24-5-3-22(4-6-24)23-8-12-36(13-9-23)15-16-38/h3-7,10-11,14,19-21,23,38H,8-9,12-13,15-18H2,1-2H3,(H,33,40)(H,34,35,39)"	IBHOLSBDZMIPPT-UHFFFAOYSA-N
DG01637	G-749	78357765	"G-749; 1457983-28-6; G749; UNII-B06W426B66; 8-bromo-2-[(1-methylpiperidin-4-yl)amino]-4-(4-phenoxyanilino)-6H-pyrido[4,3-d]pyrimidin-5-one; B06W426B66; 8-Bromo-2-((1-methylpiperidin-4-yl)amino)-4-((4-phenoxyphenyl)amino)pyrido[4,3-D]pyrimidin-5(6H)-one; C25H25BrN6O2; GTPL8108; CHEMBL4544478; SCHEMBL15265027; AOB87764; BCP11201; EX-A1074; 2183AH; MFCD28167815; s7545; ZINC95644293; AKOS026750566; CCG-269863; CS-3343; NCGC00386412-04; AC-33000; BS-15433; DA-33613; HY-12333; QC-11719; FT-0700207; G 749; G 749;G749; A14214; A899265; J-690186; Q27077763; 8-bromo-2-[(1-methylpiperidin-4-yl)amino]-4-[(4-phenoxyphenyl)amino]-5H,6H-pyrido[4,3-d]pyrimidin-5-one"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	521.4	6	C25H25BrN6O2	91.4	716	4.9	34	3	7	CN1CCC(CC1)NC2=NC3=C(C(=O)NC=C3Br)C(=N2)NC4=CC=C(C=C4)OC5=CC=CC=C5	"InChI=1S/C25H25BrN6O2/c1-32-13-11-17(12-14-32)29-25-30-22-20(26)15-27-24(33)21(22)23(31-25)28-16-7-9-19(10-8-16)34-18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3,(H,27,33)(H2,28,29,30,31)"	SXWMIXPJPNCXQQ-UHFFFAOYSA-N
DG01638	Ropeginterferon alfa-2b	86278347	Ropeginterferon-alfa-2b; SCHEMBL23594684	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB15119	.	.	447.5	18	C20H37N3O8	136	535	-1.3	31	3	9	COCCOC(=O)NCCCCC(CCN1CCC[C@H]1C(=O)O)NC(=O)OCCOC	"InChI=1S/C20H37N3O8/c1-28-12-14-30-19(26)21-9-4-3-6-16(22-20(27)31-15-13-29-2)8-11-23-10-5-7-17(23)18(24)25/h16-17H,3-15H2,1-2H3,(H,21,26)(H,22,27)(H,24,25)/t16 ,17-/m0/s1"	LICFWYDUJZDCLK-DJNXLDHESA-N
DG01639	MRX-2843	89495685	"MRX-2843; 1429882-07-4; UNC-2371A; UNII-2MT30EHI63; 2MT30EHI63; CHEMBL3326007; (1r,4r)-4-(2-((2-cyclopropylethyl)amino)-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexanol; Cyclohexanol, 4-(2-((2-cyclopropylethyl)amino)-5-(4-((4-methyl-1-piperazinyl)methyl)phenyl)-7H-pyrrolo(2,3-d)pyrimidin-7-yl)-, trans-; trans-4-(2-((2-Cyclopropylethyl)amino)-5-(4-((4-methyl-1-piperazinyl)methyl)phenyl)-7H-pyrrolo(2,3-d)pyrimidin-7-yl)cyclohexanol; UNC2371A; SCHEMBL14854108; SCHEMBL17175579; UNC2371UNC2371; BDBM350861; BCP30180; BDBM50055490; MFCD28502224; s6839; ZINC299829706; CS-8117; SB17283; AS-35252; HY-101549; MRX-2843; (UNC-2371A); US9795606, B20; A16958; UNC2371;UNC-2371;UNC 2371;MRX 2843 ;MRX2843; 4-[2-(2-cyclopropylethylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol; trans-(1R,4R)-4-(2-((2-cyclopropylethyl)amino)-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexanol"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	488.7	8	C29H40N6O	69.4	681	4.2	36	2	6	CN1CCN(CC1)CC2=CC=C(C=C2)C3=CN(C4=NC(=NC=C34)NCCC5CC5)C6CCC(CC6)O	"InChI=1S/C29H40N6O/c1-33-14-16-34(17-15-33)19-22-4-6-23(7-5-22)27-20-35(24-8-10-25(36)11-9-24)28-26(27)18-31-29(32-28)30-13-12-21-2-3-21/h4-7,18,20-21,24-25,36H,2-3,8-17,19H2,1H3,(H,30,31,32)"	LBEJYFVJIPQSNX-UHFFFAOYSA-N
DG01640	Lifirafenib	89670174	"Lifirafenib; BGB-283; Beigene-283; 1446090-77-2; 1446090-79-4; 5-(((1R,1aS,6bR)-1-(6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-5-yl)oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one; Bgb 283; UNII-8762XZS5ZF; 8762XZS5ZF; 5-(((1R,1aS,6bR)-1-(6-(Trifluoromethyl)-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa(b)benzofuran-5-yl)oxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one; BGB283; 5-({(1r,1as,6br)-1-[5-(Trifluoromethyl)-1h-Benzimidazol-2-Yl]-1a,6b-Dihydro-1h-Cyclopropa[b][1]benzofuran-5-Yl}oxy)-3,4-Dihydro-1,8-Naphthyridin-2(1h)-One; 5-[[(1R,1aS,6bR)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one; compound 2.2b; 5-{{(1r,1as,6br)-1-[5-(trifluoromethyl)-1h-benzimidazol-2-yl]-1a,6b-dihydro-1h-cyclopropa[b][1]benzofuran-5-yl}oxy}-3,4-dihydro-1,8-naphthyridin-2(1h)-one; Lifirafenib [USAN]; Lifirafenib (USAN/INN); BGB-283;Beigene-283; GTPL8958; CHEMBL4209157; SCHEMBL15085288; BDBM372968; EX-A1473; US9895376, Compound 2.2b; WHC09077; WHC09079; Lifirafenib;BGB-283;Beigene-283; BDBM50453816; WHO 10554; ZINC68764621; CS-6308; DB14773; HY-18957; D11410; A900647; Q27075193; 1,8-Naphthyridin-2(1H)-one, 5-(((1R,1aS,6bR)-1a,6b-dihydro-1-(6-(trifluoromethyl)-1H-benzimidazol-2-yl)-1H-cyclopropa(b)benzofuran-5-yl)oxy)-3,4-dihydro-; 3K3"	Phase 1/2	8	Clinical Trial Drug(s)	Phase 1/2	Small molecular drug	.	.	DB14773	.	.	478.4	3	C25H17F3N4O3	89.1	845	3.7	35	2	8	C1CC(=O)NC2=NC=CC(=C21)OC3=CC4=C(C=C3)O[C@H]5[C@@H]4[C@@H]5C6=NC7=C(N6)C=C(C=C7)C(F)(F)F	"InChI=1S/C25H17F3N4O3/c26-25(27,28)11-1-4-15-16(9-11)31-24(30-15)21-20-14-10-12(2-5-17(14)35-22(20)21)34-18-7-8-29-23-13(18)3-6-19(33)32-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,30,31)(H,29,32,33)/t20-,21-,22-/m0/s1"	NGFFVZQXSRKHBM-FKBYEOEOSA-N
DG01641	Enasidenib	89683805	"Enasidenib; 1446502-11-9; AG-221; AG-221 (Enasidenib); CC-90007 Free Base; IDHIFA; UNII-3T1SS4E7AG; AG 221; 2-Methyl-1-(4-(6-(trifluoromethyl)pyridin-2-yl)-6-(2-(trifluoromethyl)pyridin-4-ylamino)-1,3,5-triazin-2-ylamino)propan-2-ol; CC-90007; 3T1SS4E7AG; 2-methyl-1-((4-(6-(trifluoromethyl)pyridin-2-yl)-6-((2-(trifluoromethyl)pyridin-4-yl)amino)-1,3,5-triazin-2-yl)amino)propan-2-ol; 2-Methyl-1-[(4-[6-(Trifluoromethyl)pyridin-2-Yl]-6-{[2-(Trifluoromethyl)pyridin-4-Yl]amino}-1,3,5-Triazin-2-Yl)amino]propan-2-Ol; 2-methyl-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol; 2-Propanol, 2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-; 2-Propanol, 2-methyl-1-((4-(6-(trifluoromethyl)-2-pyridinyl)-6-((2-(trifluoromethyl)-4-pyridinyl)amino)-1,3,5-triazin-2-yl)amino)-; Enasidenib [INN]; enasidenibum; AG221; 2-methyl-1-({4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl}amino)propan-2-ol; AG-221(Enasidenib); AG-221; Enasidenib; Enasidenib; AG-221; Enasidenib (USAN/INN); Enasidenib [USAN:INN]; GTPL8960; CHEMBL3989908; SCHEMBL15102202; EX-A654; CHEBI:145374; HMS3873D03; AMY38698; BCP16041; BDBM50503251; MFCD29472245; NSC788120; s8205; AKOS026750439; ZINC222731806; CCG-269476; CS-5017; DB13874; NSC-788120; SB19193; NCGC00479249-03; NCGC00479249-05; AC-31318; AS-75164; HY-18690; FT-0700204; D10901; A857662; J-690181; Q27077182; B0084-470859; AG-221; AG 221; AG221; CC-90007; CC 90007; CC90007; 69Q"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:145374	DB13874	DR0574	.	473.4	6	C19H17F6N7O	109	635	3.5	33	3	14	CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O	"InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)"	DYLUUSLLRIQKOE-UHFFFAOYSA-N
DG01642	M2698	89808643	"M2698 free base; M2698; 1379545-95-5; MSC2363318A; UNII-0DXG50I4WD; 0DXG50I4WD; 1379545-95-5 (free base); M-2698; (S)-4-((2-(Azetidin-1-yl)-1-(4-chloro-3-(trifluoromethyl)phenyl)ethyl)amino)quinazoline-8-carboxamide; SCHEMBL15262358; BCP19488; EX-A1187; MSC-2363318A; NSC795142; DB15431; NSC-795142; HY-100501; CS-0019628; M2698(MSC-2363318A); M-2698;M 2698; MSC-2363318A; MSC 2363318A; MSC2363318A; 4-[[(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide; 8-Quinazolinecarboxamide, 4-(((1S)-2-(1-azetidinyl)-1-(4-chloro-3-(trifluoromethyl)phenyl)ethyl)amino)-"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	449.9	6	C21H19ClF3N5O	84.1	635	3.9	31	2	8	C1CN(C1)C[C@H](C2=CC(=C(C=C2)Cl)C(F)(F)F)NC3=NC=NC4=C3C=CC=C4C(=O)N	"InChI=1S/C21H19ClF3N5O/c22-16-6-5-12(9-15(16)21(23,24)25)17(10-30-7-2-8-30)29-20-14-4-1-3-13(19(26)31)18(14)27-11-28-20/h1,3-6,9,11,17H,2,7-8,10H2,(H2,26,31)(H,27,28,29)/t17-/m1/s1"	HXAUJHZZPCBFPN-QGZVFWFLSA-N
DG01643	FF-10101	90052320	"FF-10101; 1472797-69-5; UNII-7V7IHI0SYG; 7V7IHI0SYG; (S,E)-N-(1-((5-(2-((4-Cyanophenyl)amino)-4-(propylamino)pyrimidin-5-yl)pent-4-yn-1-yl)amino)-1-oxopropan-2-yl)-4-(dimethylamino)-N-methylbut-2-enamide; CHEMBL4650283; SCHEMBL15584726; SCHEMBL16443760; BDBM397428; BCP23613; s8899; US9987278, Compound Reference 38; Ff-10101-01; HY-109584; CS-0032038; FF 10101; FF10101; D87147; (E)-N-[(2S)-1-[5-[2-(4-cyanoanilino)-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide; 2-Butenamide, N-((1S)-2-((5-(2-((4-cyanophenyl)amino)-4-(propylamino)-5-pyrimidinyl)-4-pentyn-1-yl)amino)-1-methyl-2-oxoethyl)-4-(dimethylamino)-N-methyl-, (2E)-"	Phase 1/2	8	Clinical Trial Drug(s)	Phase 1/2	Small molecular drug	.	.	.	.	.	530.7	14	C29H38N8O2	126	906	3.6	39	3	8	CCCNC1=NC(=NC=C1C#CCCCNC(=O)[C@H](C)N(C)C(=O)/C=C/CN(C)C)NC2=CC=C(C=C2)C#N	"InChI=1S/C29H38N8O2/c1-6-17-31-27-24(21-33-29(35-27)34-25-15-13-23(20-30)14-16-25)11-8-7-9-18-32-28(39)22(2)37(5)26(38)12-10-19-36(3)4/h10,12-16,21-22H,6-7,9,17-19H2,1-5H3,(H,32,39)(H2,31,33,34,35)/b12-10+/t22-/m0/s1"	HJFSVYUFOXAVAA-YUAYGMJFSA-N
DG01644	PLX8394	90116675	"PLX8394; 1393466-87-9; PLX-8394; UNII-J2L7Z273SG; J2L7Z273SG; PLX 8394; (3R)-N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-3-fluoropyrrolidine-1-sulfonamide; (R)-N-(3-(5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)-3-fluoropyrrolidine-1-sulfonamide; GTPL9131; CHEMBL4303729; SCHEMBL15666953; BDBM317826; BCP19619; EX-A1461; PLX 8394;PLX8394; NSC797932; NSC801007; s7965; ZINC144705377; CS-5123; NSC-797932; NSC-801007; US9624213, Compound P-0338; NCGC00483921-01; BP168493; BS-15485; HY-18972; A16840; D83660; A900333; Q27088419; 1-Pyrrolidinesulfonamide, N-(3-((5-(2-cyclopropyl-5-pyrimidinyl)-1H-pyrrolo(2,3-b)pyridin-3-yl)carbonyl)-2,4-difluorophenyl)-3-fluoro-, (3R)-"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB16038	.	.	542.5	7	C25H21F3N6O3S	129	976	2.8	38	2	11	C1CN(C[C@@H]1F)S(=O)(=O)NC2=C(C(=C(C=C2)F)C(=O)C3=CNC4=C3C=C(C=N4)C5=CN=C(N=C5)C6CC6)F	"InChI=1S/C25H21F3N6O3S/c26-16-5-6-34(12-16)38(36,37)33-20-4-3-19(27)21(22(20)28)23(35)18-11-32-25-17(18)7-14(8-31-25)15-9-29-24(30-10-15)13-1-2-13/h3-4,7-11,13,16,33H,1-2,5-6,12H2,(H,31,32)/t16-/m1/s1"	YYACLQUDUDXAPA-MRXNPFEDSA-N
DG01645	PLX7904	90116945	"PLX7904; 1393465-84-3; PB04; PLX-7904; 5-(2-Cyclopropylpyrimidin-5-yl)-3-[3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine; N'-(3-{[5-(2-Cyclopropylpyrimidin-5-Yl)-1h-Pyrrolo[2,3-B]pyridin-3-Yl]carbonyl}-2,4-Difluorophenyl)-N-Ethyl-N-Methylsulfuric Diamide; Sulfamide, N'-[3-[[5-(2-cyclopropyl-5-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-N-ethyl-N-methyl-; CHEMBL4206836; SCHEMBL15667328; BDBM317744; PLX7904(PB04); BCP18248; EX-A2872; s7964; ZINC144822687; CCG-269789; CS-5129; US9624213, Compound P-0240; HY-18997; A901658; Q27456931; ({3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}sulfamoyl)(ethyl)methylamine; N'-[3-[[5-(2-cyclopropyl-5-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-N-ethyl-N-methyl-sulfamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	512.5	8	C24H22F2N6O3S	129	895	2.6	36	2	10	CCN(C)S(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CN=C(N=C4)C5CC5)F	"InChI=1S/C24H22F2N6O3S/c1-3-32(2)36(34,35)31-19-7-6-18(25)20(21(19)26)22(33)17-12-30-24-16(17)8-14(9-29-24)15-10-27-23(28-11-15)13-4-5-13/h6-13,31H,3-5H2,1-2H3,(H,29,30)"	DKNZQPXIIHLUHU-UHFFFAOYSA-N
DG01646	RAF709	90408826	"RAF709; 1628838-42-5; RAF-709; N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridin-3-yl]pyridin-3-yl]-3-(trifluoromethyl)benzamide; N-{2-Methyl-5'-(Morpholin-4-Yl)-6'-[(Oxan-4-Yl)oxy][3,3'-Bipyridin]-5-Yl}-3-(Trifluoromethyl)benzamide; CHEMBL3962812; SCHEMBL16035801; BDBM202784; BCP19140; EX-A1298; s8690; AKOS030632027; CCG-269969; CS-6074; BS-15948; HY-100510; J3.655.460F; A16842; C73133; US9242969, 131; 92J; N-(2-methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide; N-(2-Methyl-5'-morpholino-6'-(tetrahydro-2H-pyran-4-yloxy)-3,3'-bipyridin-5-yl)-3-(trifluoromethyl)benzamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	542.5	6	C28H29F3N4O4	85.8	793	4	39	1	10	CC1=C(C=C(C=N1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=CC(=C(N=C3)OC4CCOCC4)N5CCOCC5	"InChI=1S/C28H29F3N4O4/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,34,36)"	FYNMINFUAIDIFL-UHFFFAOYSA-N
DG01647	FIIN-2	91825767	"FIIN-2; 1633044-56-0; FIIN2; CHEMBL4065323; N-(4-((3-(3,5-Dimethoxyphenyl)-7-((4-(4-methylpiperazin-1-yl)phenyl)amino)-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl)methyl)phenyl)acrylamide; FIIN 2; SCHEMBL17857061; BCP14779; EX-A1742; BDBM50232829; s7714; AKOS025287401; ZINC250363839; CCG-270298; CS-5343; NCGC00484066-01; AC-32963; BF179868; HY-18602; DS-015817; A900505; N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-1-yl]methyl}phenyl)prop-2-enamide; N-[4-[[3-(3,5-dimethoxyphenyl)-7-[4-(4-methylpiperazin-1-yl)anilino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]phenyl]prop-2-enamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	634.7	10	C35H38N8O4	115	1030	4	47	2	9	CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4CN(C(=O)N(C4=N3)CC5=CC=C(C=C5)NC(=O)C=C)C6=CC(=CC(=C6)OC)OC	"InChI=1S/C35H38N8O4/c1-5-32(44)37-26-8-6-24(7-9-26)22-43-33-25(23-42(35(43)45)29-18-30(46-3)20-31(19-29)47-4)21-36-34(39-33)38-27-10-12-28(13-11-27)41-16-14-40(2)15-17-41/h5-13,18-21H,1,14-17,22-23H2,2-4H3,(H,37,44)(H,36,38,39)"	DVBPRWJMHURKHP-UHFFFAOYSA-N
DG01648	GSK321	91864709	"GSK321; (R)-1-(4-fluorobenzyl)-N-(3-((S)-1-hydroxyethyl)phenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide; 1816331-63-1; (7r)-1-(4-Fluorobenzyl)-N-{3-[(1s)-1-Hydroxyethyl]phenyl}-7-Methyl-5-(1h-Pyrrol-2-Ylcarbonyl)-4,5,6,7-Tetrahydro-1h-Pyrazolo[4,3-C]pyridine-3-Carboxamide; CHEMBL4215717; SCHEMBL20067448; GSK-321; BDBM195601; Q27455571; (7R)-1-[(4-fluorophenyl)methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide; 59D"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	501.6	6	C28H28FN5O3	103	809	3.1	37	3	5	C[C@@H]1CN(CC2=C1N(N=C2C(=O)NC3=CC=CC(=C3)[C@H](C)O)CC4=CC=C(C=C4)F)C(=O)C5=CC=CN5	"InChI=1S/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18+/m1/s1"	IVFDDVKCCBDPQZ-MSOLQXFVSA-N
DG01649	CHZ868	91885989	"CHZ868; 1895895-38-1; CHZ-868; CHZ 868; SCHEMBL20548035; CHEBI:90828; CHZ-868;CHZ 868; BCP19574; EX-A1610; VAD89538; AKOS032960476; ZINC263614455; CS-6363; AC-33597; HY-18960; Q27162807; N-[4-[2-(2,4-difluoroanilino)-1,4-dimethylbenzimidazol-5-yl]oxypyridin-2-yl]acetamide; N-(4-{[2-(2,4-difluoroanilino)-1,4-dimethyl-1H-benzimidazol-5-yl]oxy}pyridin-2-yl)acetamide; N-[4-[2-[[2,4-bis(fluoranyl)phenyl]amino]-1,4-dimethyl-benzimidazol-5-yl]oxypyridin-2-yl]ethanamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	423.4	5	C22H19F2N5O2	81.1	629	3.8	31	2	7	CC1=C(C=CC2=C1N=C(N2C)NC3=C(C=C(C=C3)F)F)OC4=CC(=NC=C4)NC(=O)C	"InChI=1S/C22H19F2N5O2/c1-12-19(31-15-8-9-25-20(11-15)26-13(2)30)7-6-18-21(12)28-22(29(18)3)27-17-5-4-14(23)10-16(17)24/h4-11H,1-3H3,(H,27,28)(H,25,26,30)"	KQQLBXFPTDVFAJ-UHFFFAOYSA-N
DG01650	PZ-1	102004343	"Pz-1; Pz-1, >=98% (HPLC); 1800505-64-9; N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide; SCHEMBL17315095; HY-U00437; NSC792733; ZINC526061663; NSC-792733; CS-0035381; B0084-267746"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	454.5	6	C26H26N6O2	90.8	706	4.3	34	1	5	CC(C)(C)C1=CC(=NO1)NC(=O)CC2=CC=C(C=C2)N3C=NC4=C3C=CC(=C4)C5=CN(N=C5)C	"InChI=1S/C26H26N6O2/c1-26(2,3)23-13-24(30-34-23)29-25(33)11-17-5-8-20(9-6-17)32-16-27-21-12-18(7-10-22(21)32)19-14-28-31(4)15-19/h5-10,12-16H,11H2,1-4H3,(H,29,30,33)"	NJLMIILZNLZZFW-UHFFFAOYSA-N
DG01651	TAS6417	117918742	"TAS6417; 1661854-97-2; Zipalertinib; TAS-6417; UNII-T4YMU8TW9H; T4YMU8TW9H; (S)-N-(4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)acrylamide; CLN-081; N-[(8S)-4-Amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide; Zipalertinib [INN]; CLN081; CHEMBL4650281; SCHEMBL16525948; GTPL11889; EX-A3391; NSC812926; s8814; NSC-812926; AS-79368; HY-112299; CS-0044757; D93895; A937514; 2-Propenamide, N-((8S)-4-amino-8,9-dihydro-6-methyl-5-(3-quinolinyl)pyrimido(5,4-b)indolizin-8-yl)-"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	396.4	3	C23H20N6O	98.7	710	2.3	30	2	5	CC1=C[C@@H](CN2C1=C(C3=C(N=CN=C32)N)C4=CC5=CC=CC=C5N=C4)NC(=O)C=C	"InChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1"	MKCYPWYURWOKST-INIZCTEOSA-N
DG01652	PRN1371	118295624	"PRN1371; 1802929-43-6; PRN-1371; 8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one; UNII-S3OPE9IA3Q; S3OPE9IA3Q; 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one; GTPL9788; CHEMBL4068509; SCHEMBL16993012; US9567334, Example 6; BDBM286984; BCP20493; EX-A2927; NSC801089; s8578; CCG-270053; CS-7485; NSC-801089; compound 34 [PMID: 28665128]; BP179867; HY-101768; J3.662.238E; C92492; A936037; Q29213602"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	561.5	9	C26H30Cl2N6O4	100	870	3.5	38	1	8	CNC1=NC=C2C=C(C(=O)N(C2=N1)CCCN3CCN(CC3)C(=O)C=C)C4=C(C(=CC(=C4Cl)OC)OC)Cl	"InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31)"	PUIXMSRTTHLNKI-UHFFFAOYSA-N
DG01653	BAY1436032	118310260	"BAY-1436032; 1803274-65-8; BAY1436032; 3-(2-((4-(trifluoromethoxy)phenyl)amino)-1-((1R,5R)-3,3,5-trimethylcyclohexyl)-1H-benzo[d]imidazol-5-yl)propanoic acid; BAY 1436032; CHEMBL4206033; SCHEMBL17009632; BDBM404661; EX-A1606; NSC794487; s8530; NSC-794487; US10344004, Test compound Table 3; HY-100020; CS-0017982; 3-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]propanoic acid"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	489.5	7	C26H30F3N3O3	76.4	726	7.2	35	2	8	C[C@H]1C[C@H](CC(C1)(C)C)N2C3=C(C=C(C=C3)CCC(=O)O)N=C2NC4=CC=C(C=C4)OC(F)(F)F	"InChI=1S/C26H30F3N3O3/c1-16-12-19(15-25(2,3)14-16)32-22-10-4-17(5-11-23(33)34)13-21(22)31-24(32)30-18-6-8-20(9-7-18)35-26(27,28)29/h4,6-10,13,16,19H,5,11-12,14-15H2,1-3H3,(H,30,31)(H,33,34)/t16-,19+/m0/s1"	RNMAUIMMNAHKQR-QFBILLFUSA-N
DG01654	EAI045	121231412	"EAI045; 1942114-09-1; EAI-045; 2-(5-fluoro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide; CHEMBL4214567; 2-(5-Fluoro-2-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)-N-(thiazol-2-yl)acetamide; 2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide; GTPL9222; SCHEMBL18472992; AMY9112; BCP17698; EX-A1735; BDBM50453891; s8242; AKOS030573300; CCG-268438; CS-5835; AC-29880; AS-55933; BE162167; HY-100213; F20673; Q27077145"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	383.4	4	C19H14FN3O3S	111	580	2.7	27	2	6	C1C2=CC=CC=C2C(=O)N1C(C3=C(C=CC(=C3)F)O)C(=O)NC4=NC=CS4	"InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25)"	YTUFHOKUFOQRDF-UHFFFAOYSA-N
DG01655	SBI-0640756	121241171	"SBI-0640756; 1821280-29-8; SCHEMBL19857722; SCHEMBL19857734; SBI-756; BCP23633; EX-A2800; WXC28029; s8181; ZINC521836536; CCG-268701; CS-5696; SBI0640756; SBI 0640756; BS-15707; HY-19560; D80610; SBI-0640756, >=98% (HPLC); SBI 0640756;SBI0640756;SBI 756;SBI756;SBI-756; (E)-6-Chloro-3-(3-(5-fluoropyridin-3-yl)acryloyl)-4-phenylquinolin-2(1H)-one; 6-chloro-3-[(E)-3-(5-fluoropyridin-3-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	404.8	4	C23H14ClFN2O2	59.1	701	4.1	29	1	4	C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)/C=C/C4=CC(=CN=C4)F	"InChI=1S/C23H14ClFN2O2/c24-16-7-8-19-18(11-16)21(15-4-2-1-3-5-15)22(23(29)27-19)20(28)9-6-14-10-17(25)13-26-12-14/h1-13H,(H,27,29)/b9-6+"	VVWGPQZBDQVQRC-RMKNXTFCSA-N
DG01656	Lazertinib	121269225	"Lazertinib; 1903008-80-9; GNS-1480; YH25448; YH-25448; GNS1480; JNJ-73841937-AAA; UNII-4A2Y23XK11; N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxy-2-morpholin-4-ylphenyl]prop-2-enamide; C-18112003-G; 4A2Y23XK11; N-(5-((4-(4-((Dimethylamino)methyl)-3-phenyl-1H-pyrazol-1-yl)pyrimidin-2-yl)amino)-4-methoxy-2-morpholinophenyl)acrylamide; Leclaza; Lazertinib [USAN]; Lazertinib [INN]; Lazertinib (YH25448); CHEMBL4558324; SCHEMBL17670400; GTPL10136; BCP30440; EX-A1912; BDBM50555575; s8724; WHO 10587; AKOS037515597; CCG-270023; Lazertinib (YH25448,GNS-1480); YH-25448;GNS-1480; BS-15742; Compound 73 [WO2016060443A2]; HY-109061; CS-0032992; A16827; A903188; YH-25448; YH 25448; YH25448; GNS-1480; GNS 1480; GNS1480; 2-Propenamide, N-(5-((4-(4-((dimethylamino)methyl)-3-phenyl-1H-pyrazol-1-yl)-2-pyrimidinyl)amino)-4-methoxy-2-(4-morpholinyl)phenyl)-; N-(5-((4-(4-((Dimethylamino)methyl)-3-phenyl-1H-pyrazol-1-yl)-2-pyrimidinyl)amino)-4-methoxy-2-(4-morpholinyl)phenyl)acrylamide; N-(5-(4-(4-((dimethylamino)methyl)-3-phenyl-1H-pyrazol-1-yl)pyrimidin-2-ylamino)-4-methoxy-2-morpholinophenyl)acrylamide"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	DB16216	.	.	554.6	10	C30H34N8O3	110	837	3.4	41	2	9	CN(C)CC1=CN(N=C1C2=CC=CC=C2)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N5CCOCC5)OC	"InChI=1S/C30H34N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34)"	RRMJMHOQSALEJJ-UHFFFAOYSA-N
DG01657	ReACp53	121596091	ReACp53	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	2617.1	104	C108H206N52O24	1340	5720	-12.8	184	55	36	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N	"InChI=1S/C108H206N52O24/c1-11-55(7)75(92(178)154-72(52-54(5)6)90(176)158-77(57(9)161)94(180)151-68(34-22-48-141-107(128)129)88(174)156-76(56(8)12-2)93(179)159-78(58(10)162)95(181)155-71(51-53(3)4)89(175)153-70(97(183)184)37-38-74(163)164)157-91(177)73-36-24-50-160(73)96(182)69(35-23-49-142-108(130)131)152-87(173)67(33-21-47-140-106(126)127)150-86(172)66(32-20-46-139-105(124)125)149-85(171)65(31-19-45-138-104(122)123)148-84(170)64(30-18-44-137-103(120)121)147-83(169)63(29-17-43-136-102(118)119)146-82(168)62(28-16-42-135-101(116)117)145-81(167)61(27-15-41-134-100(114)115)144-80(166)60(26-14-40-133-99(112)113)143-79(165)59(109)25-13-39-132-98(110)111/h53-73,75-78,161-162H,11-52,109H2,1-10H3,(H,143,165)(H,144,166)(H,145,167)(H,146,168)(H,147,169)(H,148,170)(H,149,171)(H,150,172)(H,151,180)(H,152,173)(H,153,175)(H,154,178)(H,155,181)(H,156,174)(H,157,177)(H,158,176)(H,159,179)(H,163,164)(H,183,184)(H4,110,111,132)(H4,112,113,133)(H4,114,115,134)(H4,116,117,135)(H4,118,119,136)(H4,120,121,137)(H4,122,123,138)(H4,124,125,139)(H4,126,127,140)(H4,128,129,141)(H4,130,131,142)/t55-,56-,57+,58+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-/m0/s1"	IEWOQULQWITCAT-CMEOGBNNSA-N
DG01658	NTRC 0066-0	122632882	"NTRC-0066-0; NTRC 0066-0; 1817791-73-3; JGS79C; CHEMBL4449557; SCHEMBL18163318; BDBM532292; US11208696, Example 11; NSC794589; NSC-794589; SB19776; HY-100024; CS-0017983; E77323; N-(2,6-diethylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide; N66"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	565.7	8	C33H39N7O2	87.6	873	5.5	42	2	7	CCC1=C(C(=CC=C1)CC)NC(=O)C2=C3CCC4=CN=C(N=C4N3C=C2)NC5=C(C=C(C=C5)N6CCN(CC6)C)OC	"InChI=1S/C33H39N7O2/c1-5-22-8-7-9-23(6-2)30(22)36-32(41)26-14-15-40-28(26)13-10-24-21-34-33(37-31(24)40)35-27-12-11-25(20-29(27)42-4)39-18-16-38(3)17-19-39/h7-9,11-12,14-15,20-21H,5-6,10,13,16-19H2,1-4H3,(H,36,41)(H,34,35,37)"	HGEIUFJVGHMGRR-UHFFFAOYSA-N
DG01659	EED226	123132228	"EED226; 2083627-02-3; EED-226; N-(Furan-2-Ylmethyl)-8-(4-Methylsulfonylphenyl)-[1,2,4]triazolo[4,3-C]pyrimidin-5-Amine; N-(furan-2-ylmethyl)-8-(4-(methylsulfonyl)phenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine; N-(Furan-2-ylmethyl)-8-(4-(methylsulfonyl)phenyl)[1,2,4]-triazolo[4,3-c]pyrimidin-5-amine; EED 226 monohydrate; CHEMBL4065484; SCHEMBL20867769; BDBM225230; BCP19849; EX-A1724; NSC803408; s8496; AKOS030632048; CCG-268284; CS-6391; NSC-803408; SB40406; AC-29879; AS-74203; BE165158; HY-101117; J3.609.221A; A901401; N-(Furan-2-ylmethyl)-8-(4-(methylsulfonyl)phenyl)[1,2,4]-triazolo[4,3-c]pyrimidin-5-amine;MAK683; N-[(furan-2-yl)methyl]-8-(4-methanesulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	369.4	5	C17H15N5O3S	111	575	2.3	26	1	7	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4	"InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)"	DYIRSNMPIZZNBK-UHFFFAOYSA-N
DG01660	JBJ-04-125-02	124173751	"JBJ-04-125-02; (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide; 2060610-53-7; (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide; SCHEMBL18360815; BCP32863; EX-A4047; HY-135805; CS-0114212"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	543.6	6	C29H26FN5O3S	126	870	3.8	39	3	8	C1CN(CCN1)C2=CC=C(C=C2)C3=CC4=C(CN(C4=O)[C@H](C5=C(C=CC(=C5)F)O)C(=O)NC6=NC=CS6)C=C3	"InChI=1S/C29H26FN5O3S/c30-21-5-8-25(36)24(16-21)26(27(37)33-29-32-11-14-39-29)35-17-20-2-1-19(15-23(20)28(35)38)18-3-6-22(7-4-18)34-12-9-31-10-13-34/h1-8,11,14-16,26,31,36H,9-10,12-13,17H2,(H,32,33,37)/t26-/m1/s1"	VHQVOTINPRYDAO-AREMUKBSSA-N
DG01661	SEL201	129052025	SLV-2436; 2095704-43-9; SEL-201; CID 129052025; CHEMBL4764756; 5-(3-Amino-1H-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one; SEL201; SCHEMBL18764462; SLV2436; BCP29427; SLV 2436; VID70443; BDBM50562615; s6888; SEL201-88; BS-15825; HY-112113; CS-0043363; D80426; 5-(3-amino-1H-indazol-6-yl)-1-(3-chlorobenzyl)pyridin-2(1H)-one; SLV 2436 pound>>SLV2436 pound>>SEL201-88; SEL-201 pound>>SEL201 88; SEL 201 pound>>SEL20188; SEL201	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	350.8	3	C19H15ClN4O	75	578	3	25	2	3	C1=CC(=CC(=C1)Cl)CN2C=C(C=CC2=O)C3=CC4=C(C=C3)C(=NN4)N	"InChI=1S/C19H15ClN4O/c20-15-3-1-2-12(8-15)10-24-11-14(5-7-18(24)25)13-4-6-16-17(9-13)22-23-19(16)21/h1-9,11H,10H2,(H3,21,22,23)"	YQVUADHJKWJHAF-UHFFFAOYSA-N
DG01662	RMC-4550	134183206	"RMC-4550; 2172651-73-7; UNII-2Q6NVG4EXB; 2Q6NVG4EXB; CHEMBL4752026; (3-((3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl)methanol; [3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol; {3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl}methanol; 2-Pyrazinemethanol, 3-((3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro(4.5)dec-8-yl)-6-(2,3-dichlorophenyl)-5-methyl-; 2-Pyrazinemethanol, 3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]dec-8-yl]-6-(2,3-dichlorophenyl)-5-methyl-; SCHEMBL19785503; RMC-4550 (SHP2 Inhibitor); AMY16974; EX-A3075; XLD65173; BDBM50546219; MFCD31746888; s8718; ZB1559; AKOS037648879; AC-31540; BS-15923; HY-116009; CS-0063450; D70060; A929920; [3-[(3S,4S)-4-AMINO-3-METHYL-2-OXA-8-AZASPIRO[4.5]DECAN-8-YL]-6-(2,3-DICHLOROPHENYL)-5-METHYL-PYRAZIN-2-YL]METHANOL"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	437.4	3	C21H26Cl2N4O2	84.5	563	2.5	29	2	6	C[C@H]1[C@H](C2(CCN(CC2)C3=NC(=C(N=C3CO)C4=C(C(=CC=C4)Cl)Cl)C)CO1)N	"InChI=1S/C21H26Cl2N4O2/c1-12-18(14-4-3-5-15(22)17(14)23)26-16(10-28)20(25-12)27-8-6-21(7-9-27)11-29-13(2)19(21)24/h3-5,13,19,28H,6-11,24H2,1-2H3/t13-,19+/m0/s1"	IKUYEYLZXGGCRD-ORAYPTAESA-N
DG01663	Necitumumab	135263756	SCHEMBL20425500	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	DB09559	.	.	467.5	8	C26H21N5O4	119	828	2.9	35	1	7	CC(=O)OCN1C=C(C2=CC(=NC=C21)C3=CC(=CC(=C3)OC)NC(=O)C=C)C4=CC(=NC=C4)C#N	"InChI=1S/C26H21N5O4/c1-4-26(33)30-19-8-18(9-21(10-19)34-3)24-11-22-23(17-5-6-28-20(7-17)12-27)14-31(15-35-16(2)32)25(22)13-29-24/h4-11,13-14H,1,15H2,2-3H3,(H,30,33)"	HGDHLYSCURABOE-UHFFFAOYSA-N
DG01664	Cixutumumab	135338442	SCHEMBL20511307	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB12250	.	.	528.5	6	C29H25FN4O5	106	947	5.1	39	1	8	CC#CC(=O)N1CCCC[C@H]1C2=NC(=C3N2C=CN=C3C(=O)O)C4=CC=C(C=C4)OC5=CC=CC(=C5F)OC	"InChI=1S/C29H25FN4O5/c1-3-7-23(35)33-16-5-4-8-20(33)28-32-25(27-26(29(36)37)31-15-17-34(27)28)18-11-13-19(14-12-18)39-22-10-6-9-21(38-2)24(22)30/h6,9-15,17,20H,4-5,8,16H2,1-2H3,(H,36,37)/t20-/m0/s1"	BPGVVRUPKNFLHW-FQEVSTJZSA-N
DG01666	XAV939	135418940	"XAV-939; 284028-89-3; XAV939; XAV 939; 3,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one; 2-[4-(trifluoromethyl)phenyl]-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one; CHEBI:62878; C14H11F3N2OS; CHEMBL1086580; CID 2726824; 2-(4-(trifluoromethyl)phenyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol; 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiino[4,3-d]pyrimidin-4-ol; 2-[4-(Trifluoromethyl)phenyl]-7,8-Dihydro-5h-Thiopyrano[4,3-D]pyrimidin-4-Ol; NVP-XAV-939; 2-(4-(trifluoromethyl)phenyl)-7,8-dihydro-3H-thiopyrano[4,3-d]pyrimidin-4(5H)-one; NVP-XAV 939; XAV; MFCD16879017; 3kr8; 3uh4; Maybridge3_005018; NVP-XAV939; MLS006012021; SCHEMBL7783488; TB3748-GMP; SCHEMBL15315468; AOB4150; DTXSID60369423; XAV939,XAV-939; BCPP000009; HMS1445E02; HMS3414D07; HMS3648B17; HMS3654O16; HMS3678D07; HMS3743E05; BCP02128; EX-A1760; BDBM50188594; BDBM50318567; NSC755761; s1180; ZINC13467799; AKOS015954858; AKOS024457786; AKOS026750243; CCG-208105; CS-0494; MCULE-6143908878; NSC-755761; SB19432; IDI1_016405; NCGC00250397-01; NCGC00484998-01; AC-28393; CS-10386; HY-15147; SMR003874205; XAV939, >=98% (HPLC); DB-067924; FT-0675873; SW218311-2; X7558; A25698; SR-01000946403; J-511234; SR-01000946403-1; BRD-K12762134-001-01-3; BRD-K12762134-001-05-4; Q27132250; 6,8-Dihydro-2-[4-(trifluoromethyl)phenyl]-5H-thiopyrano[3,4-d]pyrimidine; 2-(4-(trifluoromethyl)phenyl)-7,8-dihydro-1H-thiopyrano[4,3-d]pyrimidin-4(5H)-one; 2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiopyrano-[4,3-d]pyrimidin-4-ol; 2-[4-(trifluoromethyl)phenyl]-1H,4H,5H,7H,8H-thiopyrano[4,3-d]pyrimidin-4-one"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	312.31	1	C14H11F3N2OS	66.8	505	2.3	21	1	6	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	"InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)"	KLGQSVMIPOVQAX-UHFFFAOYSA-N
DG01667	SB590885	135421339	"SB590885; 405554-55-4; SB-590885; 5-(2-(4-(2-(dimethylamino)ethoxy)phenyl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime; SB 590885; (NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine; (E)-5-(2-(4-(2-(dimethylamino)ethoxy)phenyl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime; (E)-SB-590885; (Z)-SB-590885; SCHEMBL131578; CHEMBL477989; SCHEMBL12518520; SCHEMBL16111665; SCHEMBL17378611; EX-A612; CHEBI:131881; BCPP000070; 1H-Inden-1-one, 5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-, oxime; 5-[2-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-1H-inden-1-one oxime; AMY20674; BDBM50457452; NSC754362; NSC756456; s2220; SB-590885 (RAF); ZINC100061199; CCG-264947; NSC-754362; NSC-756456; (E)--(2-(dimethylamino)ethoxy)phenyl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime; (E)-SB590885; AS-16232; (E)-SB 590885; A25514; J-501805; BRD-K78809024-001-05-7; Q27120375; Q27225284; (1E)-N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine; 5-[2-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-1H-inden-1-one oxime;SB-590885"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	453.5	7	C27H27N5O2	86.6	674	4	34	2	6	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	"InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30)/b31-24+"	MLSAQOINCGAULQ-QFMPWRQOSA-N
DG01668	AUY922	135539077	"Luminespib; NVP-AUY922; 747412-49-3; AUY922; VER-52296; AUY-922; 5-(2,4-dihydroxy-5-isopropylphenyl)-N-ethyl-4-(4-(morpholinomethyl)phenyl)isoxazole-3-carboxamide; AUY922 (NVP-AUY922); Luminespib (NVP-AUY922); UNII-C6V1DAR5EB; Luminespib (AUY-922 ); VER 52296; NVP-AUY 922; C6V1DAR5EB; Luminespib (AUY-922, NVP-AUY922); 5-[2,4-DIHYDROXY-5-ISOPROPYLPHENYL]-N-ETHYL-4-[4-(4-MORPHOLINYLMETHYL)PHENYL]-3-ISOXAZOLECARBOXAMIDE; CHEMBL3900791; CHEBI:83656; 5-(2,4-dihydroxy-5-isopropyl-phenyl)-4-(4-morpholin-4-ylmethyl-phenyl)-isoxazole-3-carboxylic acid ethylamide; 5-[2,4-Dihydroxy-5-(1-methylethyl)phenyl]-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]-3-isoxazolecarboxamide; 5-[2,4-Dihydroxy-5-(1-Methylethyl)phenyl]-N-Ethyl-4-[4-(Morpholin-4-Ylmethyl)phenyl]isoxazole-3-Carboxamide; Luminespib [USAN:INN]; NVR-AUY 922; Isoxazole, 40f; 2GJ; VER-52296/NVP-AUY922; Luminespib (USAN/INN); Luminespib; NVP-AUY922; NVP-AUY922-NX; MLS006011081; NVP-AUY-922; SCHEMBL892205; CHEMBL252164; GTPL9261; SCHEMBL2682235; AUY922,NVP-AUY922; LUMINESPIB(NVP-AUY922); NVP-AUY922, LUMINESPIB; BDBM20926; CHEBI:91422; EX-A611; QCR-179; BCPP000145; HMS3295K23; HMS3654C15; AOB87330; AUY922 - NVP-AUY922; BCP01827; BDBM50274536; MFCD14635361; NSC755762; s1069; ZINC14974931; AKOS015966502; AKOS026750297; ZINC100015656; ZINC109565971; BCP9001007; CCG-264804; CS-0136; NSC-755762; SB16640; NCGC00247878-01; NCGC00387853-03; 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide; AC-33144; AS-17014; HY-10215; SMR004702869; A9562; FT-0700359; SW219319-1; X7556; CAS:747412-49-3;NVP-AUY922; D10646; 412D493; J-516600; BRD-K41859756-001-01-9; Q10859697; Q27082304; Q27163272; AUY922; VER-52296; AUY 922; VER 52296; AUY-922; VER-52296; 5-(2,4-dihydroxy-5-isopropylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide; 5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide; AUY-922; ; ; NVP-AUY922; ; ; VER-52296; ; ; (5Z)-N-Ethyl-5-(4-hydroxy-6-oxo-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)-4-[4-(morpholin-4-ylmethyl)phenyl]-2H-1,2-oxazole-3-carboxamide; N-ethyl-5-(4-hydroxy-6-oxo-3-propan-2-yl-1-cyclohexa-2,4-dienylidene)-4-[4-(4-morpholinylmethyl)phenyl]-2H-isoxazole-3-carboxamide"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:83656	DB11881	.	DR00742	465.5	7	C26H31N3O5	108	650	3.5	34	3	7	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	"InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32)"	NDAZATDQFDPQBD-UHFFFAOYSA-N
DG01669	Ganetespib	135564985	"Ganetespib; 888216-25-9; Ganetespib (STA-9090); STA-9090; STA9090; STA 9090; UNII-2E8412Y946; 5-[2,4-Dihydroxy-5-(1-methylethyl)phenyl]-2,4-dihydro-4-(1-methyl-1H-indol-5-yl)-3H-1,2,4-triazol-3-one; 2E8412Y946; 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1H-1,2,4-triazol-5-one; (5Z)-5-(4-hydroxy-6-oxo-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)-4-(1-methylindol-5-yl)-1,2,4-triazolidin-3-one; 4-(5-hydroxy-4-(1-methyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl)-6-isopropylbenzene-1,3-diol; 5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H- 1,2,4-triazol-3-one; 5-[2,4-Dihydroxy-5-(Propan-2-Yl)phenyl]-4-(1-Methyl-1h-Indol-5-Yl)-2,4-Dihydro-3h-1,2,4-Triazol-3-One; Ganetespib [USAN:INN]; Genetespib; 5-(2,4-Dihydroxy-5-(1-methylethyl)phenyl)-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H- 1,2,4-triazol-3-one; Ganetespib (USAN); Ganetespib,STA-9090; Ganetespib (STA9090); Ganetespib(STA-9090); Ganetespib - STA-9090; SCHEMBL419750; CHEMBL2103879; EX-A250; QCR-148; CHEBI:177770; HMS3654K12; HMS3673E09; AMY16782; AOB87158; BCP22669; 2422AH; BDBM50439621; MFCD22420818; NSC765435; NSC777169; s1159; ZINC43130413; AKOS026750420; AKOS032947228; ZINC109565954; ZINC109565957; CCG-268213; CS-0697; DB12047; NSC-765435; NSC-777169; SB16526; 3-(2,4-dihydroxy-5-isopropyl-phenyl)-4-(1-methyl-indol-5-yl)-5-hydroxy-[1,2,4]triazole; NCGC00346678-01; NCGC00346678-04; AC-32480; AS-35117; HY-15205; BCP0726000115; A4385; FT-0700397; SW220253-1; D10126; STA-9090; STA9090; STA 9090; Q27254612; 3-(2,4-dihydroxy-5-isopropyl-phenyl)-4-(N-methyl-indol-5-yl)-5-hydroxy-[1,2,4]triazole; 2,4-Dihydro-5-[2,4-dihydroxy-5-isopropylphenyl]-4-(1-methyl-1H-indol-5-yl)-3H-1,2,4-triazol-3-one; 3-(2,4-Dihydroxy-5-isopropylphenyl)-4-(1-methyl-1H-indol-5-yl)-1H-1,2,4-triazol-5(4H)-one; 3-[2,4-Dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1H-indol-5-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one; 3H-1,2,4-Triazol-3-one, 5-(2,4-dihydroxy-5-(1-methylethyl)phenyl)-2,4-dihydro-4-(1- methyl-1H-indol-5-yl)-"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB12047	.	.	364.4	3	C20H20N4O3	90.1	610	3.1	27	3	4	CC(C)C1=C(C=C(C(=C1)C2=NNC(=O)N2C3=CC4=C(C=C3)N(C=C4)C)O)O	"InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27)"	RVAQIUULWULRNW-UHFFFAOYSA-N
DG01670	Talazoparib	135565082	"Talazoparib; 1207456-01-6; BMN-673; BMN673; BMN 673; Talzenna; Talazoparib (BMN 673); UNII-9QHX048FRV; (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one; LT-673; 9QHX048FRV; (8s,9r)-5-Fluoro-8-(4-Fluorophenyl)-9-(1-Methyl-1h-1,2,4-Triazol-5-Yl)-2,7,8,9-Tetrahydro-3h-Pyrido[4,3,2-De]phthalazin-3-One; (11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one; (8S,9R)-5-Fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-3H-pyrido[4,3,2-de]phthalazine-3-one; Talazoparib [USAN:INN]; BMN-673 8R,9S; 4pjt; 2YQ; Talazoparib(BMN-673); Talazoparib (USAN/INN); Talazoparib (BMN-673); 3H-Pyrido(4,3,2-de)phthalazin-3-one, 5-fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-, (8S,9R)-; GTPL8313; SCHEMBL2299348; CHEMBL3137320; AOB5705; BMN673,BMN-673; AMY27900; EX-A1356; BDBM50084621; MFCD22666357; NSC767125; ZINC72318110; ZINC138126699; CS-0937; DB11760; NSC-767125; QC-4556; NCGC00390231-01; AC-30927; AS-57491; HY-16106; LT 00673; S7048; SW219655-1; X5821; D10732; A892079; Q25100990; Q27453411; (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one;BMN-673"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11760	.	DR00366	380.4	2	C19H14F2N6O	84.2	654	2.3	28	2	7	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	"InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1"	HWGQMRYQVZSGDQ-HZPDHXFCSA-N
DG01671	BI-847325	135567102	"BI-847325; 1207293-36-4; BI 847325; QXD8ZW7UVZ; UNII-QXD8ZW7UVZ; (Z)-3-(3-(((4-((dimethylamino)methyl)phenyl)amino)(phenyl)methylene)-2-oxoindolin-6-yl)-N-ethylpropiolamide; BI847325; 3-(3-(((4-((Dimethylamino)methyl)phenyl)amino)(phenyl)methylene)-2-oxoindolin-6-yl)-N-ethylpropiolamide; 3-[(3~{z})-3-[[[4-[(Dimethylamino)methyl]phenyl]amino]-Phenyl-Methylidene]-2-Oxidanylidene-1~{h}-Indol-6-Yl]-~{n}-Ethyl-Prop-2-Ynamide; (Z)-3-(3-((4-((dimethylamino)methyl)phenylamino)(phenyl)methylene)-2-oxoindolin-6-yl)-N-ethylpropiolamide; 2128698-24-6; 3-(3-(((4-((Dimethylamino)methyl)phenyl)amino)phenylmethylene)-2,3-dihydro-2-oxo-1H-indol-6-yl)-N-ethyl-2-propynamide; 3-[3-[[[4-[(Dimethylamino)methyl]phenyl]amino]phenylmethylene]-2,3-dihydro-2-oxo-1H-indol-6-yl]-N-ethyl-2-propynamide; 5U5; SCHEMBL4081822; CHEMBL3699142; CHEMBL4303500; SCHEMBL10326049; BDBM142744; BCP15994; EX-A1727; NSC799360; s7843; AKOS030238788; ZINC143989489; ZINC143989696; CCG-269395; CS-6291; NSC-799360; SB23246; NCGC00481575-01; AC-29870; AS-56076; HY-18955; US8937095, 6; Q27456034; 2-Propynamide, 3-((3Z)-3-(((4-((dimethylamino)methyl)phenyl)amino)phenylmethylene)-2,3-dihydro-2-oxo-1H-indol-6-yl)-N-ethyl-; 2-Propynamide, 3-(3-(((4-((dimethylamino)methyl)phenyl)amino)phenylmethylene)-2,3-dihydro-2-oxo-1H-indol-6-yl)-N-ethyl-; 3-((3Z)-3-((4-(Dimethylaminomethyl)anilino)-phenyl-methylene)-2-oxo-indolin-6-yl)-N-ethyl-prop-2-ynamide; 3-[(3Z)-3-[({4-[(dimethylamino)methyl]phenyl}amino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indol-6-yl]-N-ethylprop-2-ynamide; 3-[3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indol-6-yl]-N-ethylprop-2-ynamide"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	464.6	7	C29H28N4O2	80.7	798	5.3	35	3	4	CCNC(=O)C#CC1=CC2=C(C=C1)C(=C(N2)O)C(=NC3=CC=C(C=C3)CN(C)C)C4=CC=CC=C4	"InChI=1S/C29H28N4O2/c1-4-30-26(34)17-13-20-12-16-24-25(18-20)32-29(35)27(24)28(22-8-6-5-7-9-22)31-23-14-10-21(11-15-23)19-33(2)3/h5-12,14-16,18,32,35H,4,19H2,1-3H3,(H,30,34)"	OCUQMWSIGPQEMX-UHFFFAOYSA-N
DG01672	Folfox protocol	135659064	Folfox protocol; Folfox regimen; FOLFOX-4 protocol; FOLFOX-6 protocol; FOLFOX-7 protocol; Folfox; FOLFOX-4; FOLFOX-6; FOLFOX-7; C410216000; Fluorouracil regimen with leucovorin calcium and oxaliplatin	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	998.8	9	C34H42FN9O13Pt	348	1290	.	58	11	19	[CH2-][C@@H]1CCCC[C@H]1[CH2-].C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.C1=C(C(=O)NC(=O)N1)F.C(=O)(C(=O)O)O.[Pt+2]	"InChI=1S/C20H23N7O7.C8H14.C4H3FN2O2.C2H2O4.Pt/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;1-7-5-3-4-6-8(7)2;5-2-1-6-4(9)7-3(2)8;3-1(4)2(5)6;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);7-8H,1-6H2;1H,(H2,6,7,8,9);(H,3,4)(H,5,6);/q;-2;;;+2/t12 ,13-;7-,8-;;;/m01.../s1"	YXTKHLHCVFUPPT-YYFJYKOTSA-N
DG01673	MRT-92	136235465	"MRT-92; CHEMBL4302587; SCHEMBL14809192; GTPL10332; 3,4,5-trimethoxy-N-[N'-[4-methyl-3-[[4-(2-phenylethyl)benzoyl]amino]phenyl]carbamimidoyl]benzamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	566.6	11	C33H34N4O5	124	872	6.1	42	3	6	CC1=C(C=C(C=C1)N=C(N)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C3=CC=C(C=C3)CCC4=CC=CC=C4	"InChI=1S/C33H34N4O5/c1-21-10-17-26(35-33(34)37-32(39)25-18-28(40-2)30(42-4)29(19-25)41-3)20-27(21)36-31(38)24-15-13-23(14-16-24)12-11-22-8-6-5-7-9-22/h5-10,13-20H,11-12H2,1-4H3,(H,36,38)(H3,34,35,37,39)"	TVUOHEUCOWBVRU-UHFFFAOYSA-N
DG01674	NVP-TNKS656	136237316	"NVP-TNKS656; 1419949-20-4; TNKS656; NVP-TNKS-656; TNKS-656; CHEMBL2419706; N-(cyclopropylmethyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide; N-(Cyclopropylmethyl)-2-(4-(4-methoxybenzoyl)piperidin-1-yl)-N-((4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl)acetamide; N-(cyclopropylmethyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-({4-oxo-3H,4H,5H,7H,8H-pyrano[4,3-d]pyrimidin-2-yl}methyl)acetamide; NVPTNKS656; TNK-S656; TNKS 656; SCHEMBL14638273; SCHEMBL21843258; GTPL10674; BCP28685; EX-A2627; BDBM50439791; ZINC96283562; AKOS027323458; CCG-269654; example 5 [WO2013012723A1]; compound 43 [PMID: 23844574]; NCGC00390606-01; NCGC00390606-02; AC-33044; AS-75191; HY-13990; S7238; C72648; A901730; N-(Cyclopropylmethyl)-2-(4-(4-methoxybenzoyl)piperidin-1-yl)-N-((4-oxo-4,5,7,8-tetrahydro-3H-pyrano[4,3-d]pyrimidin-2-yl)methyl)acetamide; N-(cyclopropylmethyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(4-oxo-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide; N-Cyclopropylmethyl-2-[4-(4-methoxy-benzoyl)-piperidin-1-yl]-N-(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-ylmethyl)-acetamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	494.6	9	C27H34N4O5	101	911	1.1	36	1	7	COC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC(=O)N(CC3CC3)CC4=NC5=C(COCC5)C(=O)N4	"InChI=1S/C27H34N4O5/c1-35-21-6-4-19(5-7-21)26(33)20-8-11-30(12-9-20)16-25(32)31(14-18-2-3-18)15-24-28-23-10-13-36-17-22(23)27(34)29-24/h4-7,18,20H,2-3,8-17H2,1H3,(H,28,29,34)"	DYGBNAYFDZEYBA-UHFFFAOYSA-N
DG01675	AMGMDS3	139033635	AMGMDS3; Q59770979	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	506.4	9	C26H29Cl2NO5	83.9	749	5.3	34	1	5	CC[C@@H](C(=O)OCC)N1[C@@H]([C@H]([C@](CC1=O)(C)CC(=O)O)C2=CC(=CC=C2)Cl)C3=CC(=CC=C3)Cl	"InChI=1S/C26H29Cl2NO5/c1-4-20(25(33)34-5-2)29-21(30)14-26(3,15-22(31)32)23(16-8-6-10-18(27)12-16)24(29)17-9-7-11-19(28)13-17/h6-13,20,23-24H,4-5,14-15H2,1-3H3,(H,31,32)/t20-,23+,24+,26-/m0/s1"	SZACTBIUKXKQGM-YLJDOISLSA-N
DG01676	BEZ235/Ruxolitinib	.	BEZ235/Ruxolitinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01677	Bevacizumab/FOLFIRI Regimen	.	Bevacizumab/FOLFIRI Regimen	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01678	Omipalisib/Trametinib	.	Omipalisib/Trametinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01679	Ibrutinib/Ruxolitinib	.	Ibrutinib/Ruxolitinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01680	AEB071/Binimetinib	.	AEB071/Binimetinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01681	PI3K pathway inhibitors/MEK inhibitors	.	PI3K pathway inhibitors/MEK inhibitors	Preclinical	14	Preclinical Drug(s)	Preclinical	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01682	Letrozole/Ribociclib	.	Letrozole/Ribociclib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01683	Alpelisib/Binimetinib	.	Alpelisib/Binimetinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01684	Cetuximab/Trametinib	.	Cetuximab/Trametinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01685	Everolimus/Binimetinib	.	Everolimus/Binimetinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01686	Pimasertib/Regorafenib	.	Pimasertib/Regorafenib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01687	Selumetinib/Dactolisib	.	Selumetinib/Dactolisib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01688	Sirolimus/Trametinib	.	Sirolimus/Trametinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01689	Everolimus/Selumetinib	.	Everolimus/Selumetinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01690	Binimetinib/Everolimus	.	Binimetinib/Everolimus	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01691	AZD-8055/Binimetinib	.	AZD8055/Binimetinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01692	Alpelisib/Fulvestrant	.	Alpelisib/Fulvestrant	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01693	Buparlisib/Paclitaxel	.	Buparlisib/Paclitaxel	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01694	Pictilisib/Sorafenib	.	Pictilisib/Sorafenib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01695	Cisplatin/Pictilisib	.	Cisplatin/Pictilisib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01696	Gemcitabine/LY2780301	.	Gemcitabine/LY2780301	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01697	PD-0325901/Pictilisib	.	PD-0325901/Pictilisib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01698	AZD5363/Trastuzumab	.	AZD5363/Trastuzumab	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01699	MK2206/Temsirolimus	.	MK2206/Temsirolimus	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01700	Bevacizumab/Temsirolimus	.	Bevacizumab/Temsirolimus	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01701	BRAF/MEK inhibitors	.	BRAF/MEK inhibitors	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01702	Panitumumab/Trametinib	.	Panitumumab/Trametinib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01703	G007-LK/Imatinib	.	G007-LK/Imatinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01704	Infigratinib/Imatinib	.	Infigratinib/Imatinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01705	Bevacizumab/Sorafenib	.	Bevacizumab/Sorafenib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01706	AGI-5198/Talazoparib	.	AGI-5198/Talazoparib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01707	AGI-5198/Olaparib	.	AGI-5198/Olaparib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01708	Cisplatin/Talazoparib	.	Cisplatin/Talazoparib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01709	AGI-5198/Metformin	.	AGI-5198/Metformin	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01710	Temozolomide/Vandetanib	.	Temozolomide/Vandetanib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01711	Crenolanib/Trametinib	.	Crenolanib/Trametinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01712	Cytarabine/Daunorubicin/Midostaurin	.	Cytarabine/Daunorubicin/Midostaurin	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01713	Azacitidine/Sorafenib	.	Azacitidine/Sorafenib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01714	ACY-957/GSK126	.	ACY-957/GSK126	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01715	ACY-957/DZNEP	.	ACY-957/DZNeP	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01716	AZD3463/Doxorubicin	.	AZD3463/Doxorubicin	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01717	BRAF inhibitors/MEK inhibitors/Anti-EGFR mAb	.	BRAF inhibitors/MEK inhibitors or anti-EGFR mAb	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01718	Docetaxel/Selumetinib	.	Docetaxel/Selumetinib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01719	Irinotecan/Selumetinib	.	Irinotecan/Selumetinib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01720	Gemcitabine/Trametinib	.	Gemcitabine/Trametinib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01721	Dactolisib/Selumetinib	.	Dactolisib/Selumetinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01722	MK-2206/PD184352	.	MK-2206/PD184352	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01723	LY-294002/Capivasertib	.	LY-294002/Capivasertib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01724	Ruxolitinib/SGI-1776	.	Ruxolitinib/SGI-1776	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01725	AZD1208/Ruxolitinib	.	AZD1208/Ruxolitinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01726	Ruxolitinib/ZSTK474	.	Ruxolitinib/ZSTK474	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01727	JQ1/Osimertinib	.	JQ1/Osimertinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01728	EGFR TKIs	.	EGFR TKIs	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01729	Unspecified CTLA4 antibody/Unspecified PD-1 antibody	.	Unspecified CTLA4 antibody/unspecified PD-1 antibody	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01730	Cabozantinib/Erlotinib	.	Cabozantinib/Erlotinib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01731	Bevacizumab/Gefitinib	.	Bevacizumab/Gefitinib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01732	Osimertinib/Selumetinib	.	Osimertinib/Selumetinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01733	Buparlisib/Osimertinib	.	Buparlisib/Osimertinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01734	Bevacizumab/Erlotinib	.	Bevacizumab/Erlotinib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01735	Trametinib/WZ4002	.	Trametinib/WZ4002	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01736	Erlotinib/Ganetespib	.	Erlotinib/Ganetespib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01737	APR-246/Cisplatin	.	APR-246/Cisplatin	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01738	Dabrafenib/Trametinib	.	Dabrafenib/Trametinib	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01739	Vemurafenib/Cobimetinib	.	Vemurafenib/Cobimetinib	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01740	Binimetinib/Encorafenib	.	Binimetinib/Encorafenib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01741	Panitumumab/Dabrafenib/Trametinib	.	Panitumumab/Dabrafenib/Trametinib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01742	Binimetinib/Cetuximab/Encorafenib	.	Binimetinib/Cetuximab/Encorafenib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01743	Cobimetinib/Vemurafenib	.	Cobimetinib/Vemurafenib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01744	Encorafenib/Trametinib	.	Encorafenib/Trametinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01745	Trametinib/Dabrafenib	.	Trametinib/Dabrafenib	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01747	Encorafenib/Cetuximab	.	Encorafenib/Cetuximab	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01748	Palbociclib/PD-0325901	.	Palbociclib/PD-0325901	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01749	Cetuximab/Selumetinib	.	Cetuximab/Selumetinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01750	Alpelisib/Cetuximab/Encorafenib	.	Alpelisib/Cetuximab/Encorafenib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01751	Dasatinib/Trametinib	.	Dasatinib/Trametinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01752	Dasatinib/SCH772984	.	Dasatinib/SCH772984	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01753	Everolimus/PLX4720	.	Everolimus/PLX4720	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01754	Dabrafenib/Trametinib/Vemurafenib	.	Dabrafenib/Trametinib/Vemurafenib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01755	Trametinib/Vemurafenib	.	Trametinib/Vemurafenib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01756	Cediranib/PLX4720	.	Cediranib/PLX4720	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01757	Navitoclax/Trametinib	.	Navitoclax/Trametinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01758	Ganetespib/TAK-733	.	Ganetespib/TAK-733	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01759	Selumetinib/Vemurafenib	.	Selumetinib/Vemurafenib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01760	Buparlisib/Vemurafenib	.	Buparlisib/Vemurafenib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01761	MK2206/Vemurafenib	.	MK2206/Vemurafenib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01762	PLX4720/Pictilisib	.	PLX4720/Pictilisib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01763	Vemurafenib/Capecitabine/Bevacizumab	.	Vemurafenib/Capecitabine/Bevacizumab	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01764	Futuximab	.	Futuximab	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01765	EGFR inhibitors	.	EGFR inhibitors	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01766	"1,2-Dichloroethane"	11	"1,2-dichloroethane; Ethylene dichloride; 107-06-2; Ethylene chloride; Ethane, 1,2-dichloro-; Glycol dichloride; Dichloroethylene; Dutch liquid; Dutch oil; Ethane dichloride; Aethylenchlorid; Dichloro-1,2-ethane; Dichloremulsion; 1,2-Dichlorethane; Brocide; 1,2-Ethylene dichloride; Bichlorure D'ethylene; Borer sol; Di-chlor-mulsion; 1,2-DCE; Freon 150; sym-Dichloroethane; alpha,beta-Dichloroethane; EDC (halocarbon); Destruxol borer-sol; 1,2-Bichloroethane; Ethyleendichloride; Cloruro di ethene; Rcra waste number U077; 1,2-Dicloroetano; Chlorure D'ethylene; 1,2-Dichloorethaan; DCE; 1,2-Dichlor-aethan; 1, 2-dichloroethane; Aethylendichlorid; s-Dichloroethane; HCC 150; ethylenedichloride; NCI-C00511; EDC; ENT 1,656; 1,2-Dichloraethan; 1.2-dichloroethane; UNII-55163IJI47; 1,2-Dichloro-Ethane; MFCD00000963; .alpha.,.beta.-Dichloroethane; CHEBI:27789; Ethane, 1,2-dichloro-, homopolymer; 55163IJI47; Dichlor-Mulsion; Caswell No. 440; Aethylenchlorid [German]; RY Dichloro-1,2-ethane; Ethyleendichloride [Dutch]; 1,2-Ethylidene dichloride; 1,2-Dichloroethane, analytical standard; Cloruro di ethene [Italian]; 29561-65-7; HSDB 65; 1,2-Dichloorethaan [Dutch]; 1,2-Dicloroetano [Italian]; CCRIS 225; Chlorure d'ethylene [French]; 1,2 dichloroethane; 1,2-Dichlor-aethan [German]; Bichlorure d'ethylene [French]; Dichlorure d'ethylene; Dichloro-1,2-ethane [French]; ClCH2CH2Cl; Ethylene dichloride [BSI:ISO]; 1,2-Dichloroethane 100 microg/mL in Methanol; Dichlorure d'ethylene [ISO-French]; EINECS 203-458-1; UN1184; RCRA waste no. U077; EPA Pesticide Chemical Code 042003; ethylenechloride; ethylendichloride; AI3-01656; alpha,Bet; dichloro ethylene; ethylene-chloride; ethylene dichoride; 1,2-DICHLOROETHANE, ACS; 1,2dichlorethane; Ethylen dichloride; 1,2dichloroethane; ehtylene dichloride; 1,2 dichlorethane; 1,2 dichoroethane; 1,2-dichloroetane; 1,2-dichloroethan; 1,2-dichoroethane; 1,2-dicloroethane; 1,2-dichioroethane; 1,2-dichloroetharie; 1 ,2-dichloroethane; 1, 2 dichloroethane; 1,2 -dichloroethane; 1,2 dichloro ethane; 1,2,-dichloroethane; 1,2- dichloroethane; 1,2-di-chloroethane; 1,2-dichloro ethane; 1.2-di-chloroethane; CH2ClCH2Cl; 1,2-ethylenedichloride; ClCH2-CH2Cl; dichloro-1, 2-ethane; C1CH2CH2Cl; ClCH2CH2C1; EDC, JMAF; Cl(CH2)2Cl; DSSTox_CID_438; 12-DICHLOROETHANE; bmse000568; EC 203-458-1; DSSTox_RID_75587; DSSTox_GSID_20438; CHEMBL16370; 1,2-Dichloroethane ACS grade; 1,2-Dichloroethane, for HPLC; Ethylene dichloride, BSI, ISO; DTXSID6020438; Dichloroethane Reagent Grade ACS; 1,2-Dichloroethane, ACS reagent; 1,2-Dichloroethane, HPLC Grade; AMY33455; ZINC8220695; Tox21_202466; 1,2-Dichloroethane, LR, >=99%; STL264187; AKOS000120021; 1,2-Dichloroethane, p.a., 99.5%; DB03733; MCULE-3493741440; UN 1184; 1,2-Dichloroethane, AR, >=99.5%; 1,2-Dichloroethane, anhydrous, 99.8%; NCGC00091763-01; NCGC00091763-02; NCGC00091763-03; NCGC00260015-01; CAS-107-06-2; 1,2-Dichloroethane, for HPLC, 99.8%; 1,2-Dichloroethane, ACS reagent, >=99%; 1,2-Dichloroethane, ReagentPlus(R), 99%; 1,2-Dichloroethane, for HPLC, >=99.8%; 1,2-Dichloroethane, Spectrophotometric Grade; D0310; D0364; E0289; FT-0626325; FT-0771283; R 150; 1,2-Dichloroethane 10 microg/mL in Methanol; 1,2-Dichloroethane, ACS reagent, >=99.0%; C06752; 1,2-Dichloroethane 1000 microg/mL in Methanol; 1,2-Dichloroethane, SAJ first grade, >=99.0%; Q161480; 1,2-Dichloroethane, JIS special grade, >=99.5%; Ethylene dichloride [UN1184] [Flammable liquid]; J-503815; 1,2-Dichloroethane, anhydrous, ZerO2(TM), 99.8%; 1,2-Dichloroethane, spectrophotometric grade, >=99%; UNII-9D6S017631 component WSLDOOZREJYCGB-UHFFFAOYSA-N; 1,2-Dichloroethane, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.5% (GC); 52399-93-6"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	98.96	1	C2H4Cl2	0	6	1.5	4	0	0	C(CCl)Cl	InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2	WSLDOOZREJYCGB-UHFFFAOYSA-N
DG01767	Ammonia	222	"Ammonia; 7664-41-7; azane; Ammonia gas; Spirit of hartshorn; Nitro-sil; Ammonia, anhydrous; Ammoniakgas; Ammonia solution; Ammonia anhydrous; Anhydrous ammonia; Ammoniak; AM-Fol; Liquid Ammonia; Ammoniak Kconzentrierter; Amoniak [Polish]; Ammoniac [French]; Ammoniak [German]; ammoniac; Ammoniaca [Italian]; Caswell No. 041; Ammonia (conc 20% or greater); CCRIS 2278; HSDB 162; Ammonia solution, strong; NH3; UN 2073 (>44% solution); UN1005; Aminomethyl Polystyrene Resin; Refrigerent R717; EPA Pesticide Chemical Code 005302; UNII-5138Q19F1X; Strong Ammonia Solution; R 717; UN 1005 (anhydrous gas or >50% solution); UN 2672 (between 12% and 44% solution); Ammonia, 7M in methanol; Ammonia anhydrous, 99.98%; CHEBI:16134; MFCD00011418; 5138Q19F1X; Ammonia solution, strong (NF); Ammonia solution, strong [NF]; amoniaco; Ammoniaca; Amoniak; (Aminomethyl)polystyrene; EINECS 231-635-3; tertiaeres Amin; Aminyl radical; ammonia ca; primaeres Amin; Ammonia inhalant; Ammonia,aromatic; Ammonia-solution; Ammoniacum gummi; sekundaeres Amin; anyhydrous ammonia; Ammonium causticum; (Aminomethyl)polystyrene, 100-200 mesh, extent of labeling: ~0.5 mmol/g amine loading; NH4; UNX; Strong-ammonia solution; R 717 (ammonia); Ammonia (8CI,9CI); Ammonia water (JP15); Aromatic ammonia vaporole; Ammonia, 2M in methanol; Dowex(R) 66 free base; Ammonia, 0.5M in THF; Aromatic Ammonia, Vaporole; EC 231-635-3; Ammonia solution strong (NF); Ammonia solution strong [usan]; INS NO.527; N H3; ammonium isovalerate 30% in pg; CHEMBL1160819; DTXSID0023872; DTXSID40912315; DTXSID80420101; INS-527; [NH3]; NH(3); 2-Methylamino-5-nitro-benzonitrile; Ammonia solution, 0.4 M in THF; Ammonia solution, 4 M in methanol; Ammonia solution, 7 N in methanol; Ammonia, anhydrous, >=99.98%; ACT02989; Ammonia solution 2.0 M in ethanol; Ammonia solution 2.0 M in methanol; Ammonia solution, 0.5 M in dioxane; Ammonia solution, 2.0 M in ethanol; AKOS015916403; Ammonia anhydrous 170g Lecture bottle; Ammonia solution, 2.0 M in methanol; Ammonia solution 2.0 M in isopropanol; MCULE-5646000632; Ammonia 0.5M solution in 1,4-Dioxane; Ammonia solution, 2.0 M in isopropanol; Ammonia (includes anhydrous ammonia and aqueous ammonia from water dissociable ammonium salts and other sources; 10% of total aqueous ammonia is reportable under this listing); Ammonia, anhydrous, liquefied or ammonia solutions, relative density <0.880 at 15 C in water, with >50% ammonia [UN1005] [Nonflammable gas]; Ammonia, anhydrous, liquefied or ammonia solutions, relative density <0.880 at 15 C in water, with >50% ammonia [UN1005] [Poison gas, Corrosive]; Ammonia, puriss., anhydrous, >=99.9%; Ammonia solution 0.25M in tetrahydrofuran; Ammonia, puriss., anhydrous, >=99.95%; E-527; Q4087; R-717; C00014; D02916; Dowex(R) Marathon(TM) WBA free base, free base; Q4832241; Q6004010; Q27110025; (Aminomethyl)polystyrene, 100-200 mesh, extent of labeling: ~2 mmol/g amine loading; (Aminomethyl)polystyrene, 200-400 mesh, extent of labeling: ~0.6 mmol/g amine loading; (Aminomethyl)polystyrene, 200-400 mesh, extent of labeling: ~1.5 mmol/g amine loading; (Aminomethyl)polystyrene, 400-500 mum, extent of labeling: 1-2 mmol/g amine loading; (Aminomethyl)polystyrene, 100-200 mesh, extent of labeling: 0.5-1.0 mmol/g N loading, 1 % cross-linked; (Aminomethyl)polystyrene, 100-200 mesh, extent of labeling: 1.0 mmol/g N loading, 1 % cross-linked; (Aminomethyl)polystyrene, 200-400 mesh, extent of labeling: 1.0-1.5 mmol/g N loading, 1 % cross-linked; (Aminomethyl)polystyrene, 200-400 mesh, extent of labeling: 1.0-2.0 mmol/g loading, 2 % cross-linked; (Aminomethyl)polystyrene, 200-400 mesh, extent of labeling: 4.0 mmol/g loading, 2 % cross-linked; (Aminomethyl)polystyrene, 50-100 mesh, extent of labeling: 2.0 mmol/g loading, 1 % cross-linked; (Aminomethyl)polystyrene, 70-90 mesh, extent of labeling: 1.0-1.5 mmol/g N loading, 1 % cross-linked; (Aminomethyl)polystyrene, 70-90 mesh, extent of labeling: 1.5-2.0 mmol/g N loading, 1 % cross-linked; (Aminomethyl)polystyrene, macroporous, 30-60 mesh, extent of labeling: 1.5-3.0 mmol/g loading; (Aminomethyl)polystyrene, macroporous, 70-90 mesh, extent of labeling: 1.5-3.0 mmol/g loading; Ammonia (includes anhydrous ammonia and aqueous ammonia from water dissociable ammonium salts and other sources 10% of total aqueous ammonia is reportable under this listing); Ammonia, anhydrous, liquefied or ammonia solutions, relative density <0.880 at 15 C in water, with >50% ammonia; Ammonia, anhydrous, liquefied or ammonia solutions, relative density <0.880 at 15 C in water, with >50% ammonia [UN1005] [Nonflammable gas]; Ammonia, anhydrous, liquefied or ammonia solutions, relative density <0.880 at 15 C in water, with >50% ammonia [UN1005] [Poison gas, Corrosive]; StratoSpheres(TM) PL-AMS resin, 100-200 mesh, extent of labeling: ~1.0 mmol/g loading, 1 % cross-linked with divinylbenzene; StratoSpheres(TM) PL-AMS resin, 100-200 mesh, extent of labeling: 2.0 mmol/g loading, 1 % cross-linked; StratoSpheres(TM) PL-AMS resin, 30-40 mesh, extent of labeling: 1.0 mmol/g loading, 1 % cross-linked; StratoSpheres(TM) PL-AMS resin, 30-40 mesh, extent of labeling: 2.0 mmol/g loading, 1 % cross-linked; StratoSpheres(TM) PL-AMS resin, 50-100 mesh, extent of labeling: 2.0 mmol/g loading, 1 % cross-linked"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16134	DB11118	DR0100	DR00194	17.031	0	H3N	1	0	-0.7	1	1	1	N	InChI=1S/H3N/h1H3	QGZKDVFQNNGYKY-UHFFFAOYSA-N
DG01768	Benzene	241	"Benzene; benzol; 71-43-2; Cyclohexatriene; benzole; Pyrobenzole; Benzine; Benzen; Phenyl hydride; Pyrobenzol; Phene; Mineral naphtha; Coal naphtha; Bicarburet of hydrogen; Benzolene; Benzin; [6]Annulene; Motor benzol; Carbon oil; Benzeen; Benzolo; Fenzen; Nitration benzene; (6)Annulene; Benzol 90; Rcra waste number U019; NCI-C55276; NSC 67315; UN 1114; CHEBI:16716; UNII-J64922108F; CHEMBL277500; MFCD00003009; Hydrocarbons, C4-8; J64922108F; Benzeen [Dutch]; Benzen [Polish]; Fenzen [Czech]; Benzolo [Italian]; BNZ; Benzine (Obs.); Benzin (Obs.); Caswell No. 077; Benzol diluent; Benzene 100 microg/mL in Methanol; Benzene, ACS reagent, >=99.0%; Benzene, pure; CCRIS 70; 54682-86-9; HSDB 35; 1,3,5-cyclohexatriene; EINECS 200-753-7; UN1114; EPA Pesticide Chemical Code 008801; Annulene; Benzinum; Benzolum; Aromatic alkane; Benzene (including benzene from gasoline); p-benzene; benzene solution; benzene-; AI3-00808; 1hyz; 1swi; [6]-annulene; 68956-52-5; Benzene ACS Grade; Benzene, for HPLC; {[6]Annulene}; Ph-H; Phenyl; Phenyl Radical; 2z9g; 4i7j; Benzene + aniline combo; DSSTox_CID_135; Benzene, labeled with carbon-14 and tritium; WLN: RH; Epitope ID:116867; Benzene, purification grade; EC 200-753-7; Benzene, analytical standard; DSSTox_RID_79433; Benzene, LR, >=99%; DSSTox_GSID_39242; ghl.PD_Mitscher_leg0.503; 26181-88-4; Benzene, anhydrous, 99.8%; Benzene, AR, >=99.5%; DTXSID3039242; 3,4-DNH; 1l83; 220l; 223l; Benzene 10 microg/mL in Methanol; ZINC967532; trans-N-Methylphenylcyclopropylamine; ACT02832; BCP26158; Benzene, for HPLC, >=99.8%; Benzene, for HPLC, >=99.9%; NSC67315; Tox21_202487; 1,3-Cyclohexadiene-5,6-diylradical; BDBM50167939; BM 613; NSC-67315; STL264205; Benzene 5000 microg/mL in Methanol; Benzene, purum, >=99.0% (GC); AKOS008967253; MCULE-4899719484; Benzene, SAJ first grade, >=99.0%; CAS-71-43-2; Benzene [UN1114] [Flammable liquid]; Benzene, JIS special grade, >=99.5%; erythro-Phenyl-2-piperidyl-carbinol,(-); NCGC00090744-01; NCGC00090744-02; NCGC00163890-01; NCGC00163890-02; NCGC00260036-01; trans-N, N-Dimethylphenylcyclopropylamine; Cc-34,(+/-); RNG; DS-002542; B0020; FT-0622636; FT-0622637; FT-0622667; FT-0627856; FT-0657604; Q0038; Q2270; Benzene, ACS spectrophotometric grade, >=99%; C01407; Benzene, ReagentPlus(R), thiophene free, >=99%; Benzene, puriss. p.a., Reag. Ph. Eur., >=99.7%; Q26841227; Z57120059; Benzene, for residue analysis, suitable for 5000 per JIS; Benzene, suitable for 300 per JIS, >=99.5%, for residue analysis; Benzene, Pharmaceutical Secondary Standard; Certified Reference Material; Benzene, suitable for 1000 per JIS, >=99.5%, for residue analysis; Benzene, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.5% (GC)"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	78.11	0	C6H6	0	15.5	2.1	6	0	0	C1=CC=CC=C1	InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	UHOVQNZJYSORNB-UHFFFAOYSA-N
DG01769	Hydrogen sulfide	402	"Hydrogen sulfide; sulfane; Hydrosulfuric acid; Hydrogen sulphide; Stink DAMP; Dihydrogen monosulfide; Dihydrogen sulfide; Sulfureted hydrogen; Sewer gas; Netzschwefel; Kolospray; Liquamat; Micowetsulf; Microflotox; Colsul; Crystex; Elosal; Hexasul; Kolofog; Kumulus; Sastid; 7783-06-4; Cosan; Polsulkol Extra; Hydrogene sulfure; Acide sulfhydrique; Schwefelwasserstoff; Corosul D and S; RC-Schwefel Extra; Hydrogen sulfide (H2S); Kolloidschwefel 95; Siarkowodor; Zwavelwaterstof; Cosan 80; Hepatic acid; Hydrogen-sulfide; Idrogeno solforato; Kolo 100; Hydrogen monosulfide; Sulfuretted hydrogen; Hepatic gas; RCRA waste number U135; H2S; CHEBI:16136; CHEBI:26833; UNII-YY9FVM7NSN; YY9FVM7NSN; UN 1053; NSC-403664; Collokit; Kristex; Microthiol; Shreesul; Kumulus FL; Magnetic 6; Caswell No. 812; azufre; Proactiv; Transact; Schwefel, feinverteilter; Hydrogene sulphure; Acide sulphhydrique; Siarkowodor [Polish]; Hydrogen sulfide H2S; Hydrogen sulfuric acid; Magnetic 70, 90, and 95; HSDB 5166; Zwavelwaterstof [Dutch]; EINECS 231-722-6; NA1350; NA2448; UN1350; UN2448; Hydrogen sulfure [French]; RCRA waste no. U135; EPA Pesticide Chemical Code 077501; Hydrogene sulfure [French]; NSC 403664; Acide sulfhydrique [French]; dihydridosulfur; monosulfane; Schwefelwasserstoff [German]; theion; Hydrosulfurate; Idrogeno solforato [Italian]; Acnaveen; Cuticura; Eskamel; Hepatate; Schwefel; Acnil; Meted; Sulfur,sublimed; FEMA No. 3779; Thio radical; HSDB 576; Hydrogen sulfure; Sulfur,colloidal; Liu huang; Sour gas; Colloidal sulphur; Sulfur,micronized; Dome-Acne; intracellular S0; .alpha.-sulfur; Sulfur, colloidal; Bensulfoid (TN); Sulfur,precipitated; dihydrogen(sulfide); sulfure d'hydrogene; EINECS 231-977-3; Sastid (TN); UN1053; component of Bensulfoid; Sour gas (Salt/Mix); Dicyclopropylketone, 90%; Magnetic 70, and 95; EC 231-722-6; Hydrogen sulfide (solution); 37331-50-3; 63705-05-5; Hydrogen sulfide, >=99.5%; CHEMBL1200739; CHEMBL2105487; DTXSID4024149; DTXSID9034941; NIOSH/MX1229000; [SH2]; Sulfur [NA1350] [Class 9]; 8984AF; BDBM50147625; BDBM50498447; NSC403664; Hydrogen sulfide, purum, >=99.0%; AKOS015833648; AKOS015950634; Sulfur [UN1350] [Flammable solid]; BP-21056; Sulfur, molten [NA2448] [Class 9]; Hydrogen sulfide solution, 0.8 M in THF; Hydrogen sulfide [UN1053] [Poison gas]; FT-0698736; MX12290000; Sulfur, powder, 99.998% trace metals basis; C00087; C00283; D00024; EC 231-977-3; F21255; Sulfur, molten [UN2448] [Flammable solid]; A857440; Q170591; Q7636182; Q60998679; F5FD384D-E823-4920-B313-6476A1F3F0C5"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	34.08	0	H2S	1	0	0.5	1	1	1	S	InChI=1S/H2S/h1H2	RWSOTUBLDIXVET-UHFFFAOYSA-N
DG01770	Dimethyl sulfoxide	679	"Dimethyl sulfoxide; DMSO; 67-68-5; Methyl sulfoxide; Methylsulfinylmethane; Dimethylsulfoxide; Dimethyl sulphoxide; Methane, sulfinylbis-; Demsodrox; Demasorb; Demavet; Dimexide; Domoso; Dromisol; Durasorb; Infiltrina; Somipront; Syntexan; Deltan; Demeso; Dolicur; Hyadur; sulfinylbismethane; Dimethyl sulfur oxide; Dermasorb; Dipirartril-tropico; Doligur; Kemsol; Gamasol 90; Sulfinylbis(methane); Sclerosol; Topsym; Dimethylsulphoxide; Rimso-50; Dimethylsulfoxid; Dimethylsulfoxyde; Rimso 50; SQ 9453; NSC-763; Caswell No. 381; Dimetil sulfoxido; Dimethyli sulfoxidum; CCRIS 943; (methylsulfinyl)methane; (CH3)2SO; DMS-90; NSC 763; A 10846; Methyl sulphoxide; dimethyl-sulfoxide; S(O)Me2; M 176; UNII-YOW8V9698H; Methane, 1,1'-sulfinylbis-; EPA Pesticide Chemical Code 000177; DMS 70; DMS 90; AI3-26477; MFCD00002089; CHEMBL504; NSC763; YOW8V9698H; Dimethyl sulfoxide, HPLC Grade; CHEBI:28262; SQ-9453; Dimethyl sulfoxide, 99%; Sulfinylbis-methane; 103759-08-6; Topsym (rescinded); Rimso-5; Domoso (Veterinary); methylsulfoxide; Dimexidum; sulfinyldimethane; Dimetilsolfossido; Dimetilsolfossido [DCIT]; Dimethyl sulpoxide; Fatty acids, tall-oil, polymers with Me epoxyoctadecanoate and tetraethylenepentamine; HSDB 80; Sulfoxide, dimethyl; methanesulfinylmethane; DMS-70; Dimethylsulfoxyde [INN-French]; Dimetil sulfoxido [INN-Spanish]; (methanesulfinyl)methane; Dimethyli sulfoxidum [INN-Latin]; EINECS 200-664-3; C2H6OS; Diluent; dimethysulfoxide; dimethlysulfoxide; dimethvlsulfoxide; dimethyisulfoxide; dimethylsulphoxid; dimethy sulfoxide; dimetyl sulfoxide; dimethyisulphoxide; dimethyl sulfoxyde; dimethyl-sulfoxyde; dimethyl suiphoxide; dimethyl-sulphoxide; dirnethyl sulfoxide; Dimethyl sulfoxixde; methylsulfmylmethane; dimethyl sulf oxide; Sulfinyl bis(methane); 2-Thiapropane2-oxide; Dimethyl sulfoxide [USAN:USP:INN:BAN]; DMSO, sterile filtered; dimethylsulfoxide solution; Methyl sulfoxide (8CI); Rimso-50 (TN); Dimethyl sulfoxide(DMSO); DMSO (Sterile-filtered); DMSO, Dimethyl Sulfoxide; DSSTox_CID_1735; Dimethyl sulfoxide solution; (DMSO); DMSO (Dimethyl sulfoxide); EC 200-664-3; Sulfinylbis-methane (9CI); DSSTox_RID_76298; H3C-SO-CH3; BIDD:PXR0182; DSSTox_GSID_21735; Dimethyl sulfoxide, >=99%; Dimethyl sulfoxide, anhydrous; Dimethyl sulfoxide, for HPLC; Methane, sulfinylbis- (9CI); WLN: OS1&1; Dimethyl sulfoxide, >=99.5%; Dimethyl sulfoxide, PCR Reagent; DTXSID2021735; Dimethyl sulfoxide, ACS reagent; Methyl sulfoxide, >=99%, FG; Dimethyl sulfoxide, p.a., 99%; Dimethyl sulfoxide, LR, >=99%; Pharmakon1600-01506122; AMY14894; CS-B1637; Dimethyl sulfoxide (JAN/USP/INN); HY-Y0320; ZINC5224188; Tox21_300957; BDBM50026472; NSC760436; STL264194; Dimethyl sulfoxide, AR, >=99.5%; AKOS000121107; CCG-213615; DB01093; Dimethyl sulfoxide, analytical standard; MCULE-2005841258; NSC-760436; CAS-67-68-5; MRF-0000764; (methanesulfinyl)methanedimethyl sulfoxide; Dimethyl sulfoxide, for molecular biology; NCGC00163958-01; NCGC00163958-02; NCGC00163958-03; NCGC00254859-01; Dimethyl sulfoxide, anhydrous, >=99.9%; Dimethyl sulfoxide, HPLC grade, 99.9%; Dimethyl Sulfoxide [for Spectrophotometry]; Dimethyl sulfoxide, for HPLC, >=99.5%; Dimethyl sulfoxide, for HPLC, >=99.7%; DS-015031; D0798; D1159; D5293; Dimethyl sulfoxide, ACS reagent, >=99.9%; Dimethyl sulfoxide, AldraSORB(TM), 99.8%; FT-0625099; FT-0625100; D01043; Dimethyl sulfoxide solution, 50 wt. % in H2O; Dimethyl sulfoxide, >=99.6%, ReagentPlus(R); Dimethyl sulfoxide, ReagentPlus(R), >=99.5%; AB01563146_01; Dimethyl sulfoxide, p.a., ACS reagent, 99.9%; Dimethyl sulfoxide, SAJ first grade, >=99.0%; Dimethyl sulfoxide, JIS special grade, >=99.0%; Dimethyl sulfoxide, Vetec(TM) reagent grade, 99%; Q407927; Dimethyl sulfoxide, UV HPLC spectroscopic, 99.9%; Dimethyl sulfoxide, anhydrous, ZerO2(TM), >=99.9%; Dimethyl sulfoxide, meets EP, USP testing specifications; Dimethyl sulfoxide, ACS spectrophotometric grade, >=99.9%; Dimethyl sulfoxide, puriss. p.a., dried, <=0.02% water; 4H-1,3-oxazine,2-cyclopentyl-5,6-dihydro-4,4,7-trimethyl-; Dimethyl sulfoxide, >=99.5% (GC), plant cell culture tested; Dimethyl sulfoxide, BioUltra, for molecular biology, >=99.5% (GC); Dimethyl sulfoxide, European Pharmacopoeia (EP) Reference Standard; Dimethyl sulfoxide, puriss. p.a., ACS reagent, >=99.9% (GC); Dimethyl sulfoxide, Vetec(TM) reagent grade, anhydrous, >=99.7%; Dimethyl sulfoxide, >=99.0%, suitable for absorption spectrum analysis; Dimethyl sulfoxide, United States Pharmacopeia (USP) Reference Standard; Dimethyl sulfoxide, for inorganic trace analysis, >=99.99995% (metals basis); Dimethyl sulfoxide, meets EP testing specifications, meets USP testing specifications; Dimethyl sulfoxide, Hybri-Max(TM), sterile-filtered, BioReagent, suitable for hybridoma, >=99.7%; Dimethyl sulfoxide, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.5% (GC); Dimethyl sulfoxide, sterile-filtered, BioPerformance Certified, meets EP, USP testing specifications, suitable for hybridoma"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28262	DB01093	.	DR01178	78.14	0	C2H6OS	36.3	29	-0.6	4	0	2	CS(=O)C	InChI=1S/C2H6OS/c1-4(2)3/h1-2H3	IAZDPXIOMUYVGZ-UHFFFAOYSA-N
DG01771	Ethanol	702	"Ethanol; ethyl alcohol; alcohol; 64-17-5; grain alcohol; Methylcarbinol; Ethyl hydroxide; Ethyl hydrate; Tecsol; EtOH; Algrain; Anhydrol; Denatured alcohol; Hydroxyethane; Alkohol; Jaysol S; Potato alcohol; Cologne Spirit; Absolute ethanol; Ethanol 200 proof; Molasses alcohol; Spirits of wine; etanol; Aethylalkohol; Denatured ethanol; Aethanol; Alcool ethylique; 1-Hydroxyethane; Fermentation alcohol; Alcohol, diluted; Tecsol C; Alcohols; Alcool etilico; Dehydrated ethanol; Etanolo; Jaysol; Etylowy alkohol; absolute alcohol; Ethanol solution; Alcohol, ethyl; Alcohol dehydrated; Alkoholu etylowego; Ethyl alcohol usp; Alcohol, anhydrous; Synasol; Ethyl alcohol anhydrous; Denatured alcohol CD-5; Denatured alcohol SD-1; Distilled spirits; Denatured alcohol CD-5a; Denatured alcohol SD-3a; Dehydrated alcohol; Denatured alcohol CD-10; Denatured alcohol SD-17; Denatured alcohol SD-28; Denatured alcohol SD-30; Denatured alcohol SD-13a; Denatured alcohol SD-23a; Denatured alcohol SD-39b; Denatured alcohol SD-39c; Denatured alcohol SD-40m; Ethylalcohol; Spirit; SD Alchol 23-hydrogen; Alcohol anhydrous; Alkohol [German]; Aethanol [German]; Etanolo [Italian]; Alcohol, dehydrated; Ethyl alcohol & water, 5%; Thanol; Ethanol, undenatured; Spirt; Alcare Hand Degermer; Ethyl alcohol & water, 10%; Ethyl alcohol & water, 20%; Ethyl alcohol & water, 30%; Ethyl alcohol & water, 40%; Ethyl alcohol & water, 50%; Ethyl alcohol & water, 60%; Ethyl alcohol & water, 70%; Ethyl alcohol & water, 80%; Ethyl alcohol & water, 95%; Ethyl alcohol & water, 96%; Ethyl alc; Ethylalcohol [Dutch]; Ethyl alcohol and water; NCI-C03134; Alcohol (ethyl alcohol); Alcohol [USP]; Ethicap; Hinetoless; Cologne spirits; Caswell No. 430; Reagent Alcohol; Infinity Pure; Aethylalkohol [German]; Desinfektol EL; Anhydrous alcohol; Ethyl alcohol in alcoholic beverages; FEMA No. 2419; FEMA Number 2419; Alcool etilico [Italian]; Etylowy alkohol [Polish]; Ethyl alcohol, undenatured; Alcool ethylique [French]; C2H5OH; Alkoholu etylowego [Polish]; HSDB 82; SDM No. 37; AI3-01706; CCRIS 945; Ethanol Vapor; SD alcohol 23-hydrogen; Alcohol denatured; Ru-Tuss Hydrocodone Liquid; Alcohol, denatured; Ethanol, denatured; Ethanol, Anhydrous; NSC 85228; Alcohol (USP); EPA Pesticide Chemical Code 001501; Absolute ethyl alcohol; UNII-3K9958V90M; Punctilious ethyl alcohol; Ethanol Absolute; Ethanol, anhydrous, denatured; CHEBI:16236; NSC-85228; 3K9958V90M; Ethanol, CDA 19; Ethanol, 200 Proof; Ethyl Alcohol Denatured; Ethylol; Alcohols, C1-3; Ethanol Anhydrous; Alcohol, Absolute; EOH; Ethanol [JAN]; Sekundasprit; alcohol etilico; spiritus vini; MFCD00003568; Anhydrous ethanol; Ethanol denatured; C2H6O; Lux; SY Fresh M; Esumiru WK 88; Ethanol (9CI); Ethanol, silent spirit; ALCOHOL DENAT.; Anhydrol PM 4085; Ethyl alcohol, anhydrous; Ethyl alcohol (Ethanol); Higher alcohol distillate; ALCOHOL 5% IN DEXTROSE 5%; EINECS 200-578-6; Cologne spirits (alcohol); SDA 3A; Alcoholum; Ethanolum; Ethylicum; silent spirit; diluted Alcohol; Ethanol in alcoholic beverages; Vodka; Alcohol,ethyl; Edible alcohol; Alcohol,sda; ethanol-; 100C.NPA; CDA 19; IMS 99; Sd alcohol; Ethanol, dimer; Alcohol,denatured; Alcohol (ethyl); Alcohol,dehydrated; undenatured Ethanol; AHD 2000; Ethanol, dehydrated; SDA 40-2; VANILLA Powder; EINECS 270-649-4; Eosin Y, Alcoholic; Alcohol 95%; Alcohol 190 proof; CDA 19-200; Ethyl Alcohol 40%; Ethyl Alcohol 70%; Ethyl Alcohol 75%; Ethyl Alcohol 80%; Ethyl Alcohol 90%; Ethyl alcohol, absolute; Ethanol, 99.8%; Ethanol, technical grade; Fatty Alcohol C8-10; Reagent Alcohol, 70%; Reagent Alcohol, 80%; Reagent Alcohol, 95%; CH3CH2OH; Dehydrated ethanol (TN); Ethyl Alcohol 47.5%; DSSTox_CID_584; Ethyl alcohol, dehydrated; Ethanol, standard for GC; Industrial Alcohol (IMS); bmse000297; CHEMBL545; EC 200-578-6; Ethanol, >=99.5%; Aerosol  OT Solution; Anhydrous ethanol (JP17); Reagent Alcohol, for HPLC; Ethanol, analytical standard; DSSTox_RID_75674; SD 3A; DSSTox_GSID_20584; Ru-Tuss Liquid (Salt/Mix); Ethanol, USP, 99.5%; WLN: Q2; 68475-56-9; Ethanol, for residue analysis; Reagent Alcohol, ACS reagent; Alcohol determination--alcohol; Duplicating Fluid 100C.NPA; Ethanol, p.a., 99.8%; Reagent Alcohol, reagent grade; SDM No. 37 (Salt/Mix); GTPL2299; Alcohol dehydrated, >=85.0%; DTXSID4028331; DTXSID9020584; Ethanol, technical grade, 93%; Ethanol, technical grade, 99%; UNII-7528N5H79B; CHEBI:17246; Ethanol, 95.1-96.9%; poly(vinyl alcohol) macromolecule; Ru-Tuss Expectorant (Salt/Mix); Ethyl alcohol (6CI,7CI,8CI); Ethanol, technical grade, 93.8%; Ethanol, technical grade, 99.5%; Ethanol, >=99.5%, for HPLC; NSC85228; STR05604; Ethyl Alcohol 95% ACS/USP Grade; Tox21_202510; 6869AF; STL264245; Ethanol 2000 microg/mL in Methanol; Ethanol, 95.0%, (190 proof); Ethanol, p.a., ACS reagent, 96%; Ethanol, tested according to Ph.Eur.; Ethanol, USP, 70.0-72.0%; Ethanol, USP, 94.9-96.0%; AKOS009104571; Ethanol, Reagent (Denatured SDA 3A); 7528N5H79B; DB00898; Ethanol 10000 microg/mL in Methanol; Ethanol, absolute, >=99.8% (GC); Ethanol, UV HPLC spectroscopic, 95%; MCULE-8818474596; UN 1170; CAS-64-17-5; Ethanol, denatured, (UK IDA standard); Ethanol, SAJ first grade, >=99.5%; Ethyl Alcohol Absolute, ACS/USP Grade; Ethanol, JIS special grade, >=99.5%; Ethanol, p.a., ACS reagent, 95.0%; Ethanol, technical grade, 92.6-93.8; NCGC00091458-01; NCGC00091458-02; NCGC00260059-01; Reagent Alcohol, spectrophotometric grade; Ethanol, >50% in a non hazardous diluent; Ethanol, absolute, for HPLC, >=99.8%; Ethanol, anhydrous, denatured, HPLC Grade; Ethyl Alcohol 95% (Synthetic) FCC Grade; Ethanol, ACS reagent, 99.8, 200 proof; Ethanol, JIS first grade, 94.8-95.8%; Ethyl Alcohol Absolute (Organic) USP Grade; E1510; Ethanol solution, EP, BP, 69.5-70.4%; Ethanol, denatured, Spectrophotometric Grade; Ethanol, JIS special grade, 94.8-95.8%; FT-0625729; FT-0625731; FT-0625732; FT-0668048; Ethanol, >=99.5%, SAJ super special grade; PM-6193-200; Reagent Alcohol, anhydrous, <=0.003% water; Reagent Alcohol, anhydrous, <=0.005% water; C00469; D00068; Ethanol, >=99.5%, suitable for fluorescence; Ethanol, Alcohol Reagent, anhydrous, denatured; Ethyl Alcohol 95% (Grain Derived) FCC Grade; Ethyl Alcohol 95% (Synthetic) ACS/USP Grade; Ethanol, >10 - 24% in a non hazardous diluent; Ethanol, >24 - 50% in a non hazardous diluent; Ethyl Alcohol Absolute (Synthetic) ACS/USP Grade; SR-01000944357; Ethanol, puriss. p.a., absolute, >=99.8% (GC); SR-01000944357-1; Ethanol, denatured (5 % IPA, 5 % n-propylacetate); Reagent Alcohol, used for histology tissue preparation; Ethanol, anhydrous, denatured, Spectrophotometric Grade; Ethyl alcohol, Pure, 190 proof, for molecular biology; Ethyl alcohol, Pure, 200 proof, anhydrous, >=99.5%; Ethyl alcohol, Pure, 200 proof, for molecular biology; Ethanol, absolute, >=99.8% (GC), sales not in Germany; Ethyl Alcohol Absolute (Dehydrated) USP, BP/EP, JP Grade; Ethyl alcohol, Pure, 200 proof, ACS reagent, >=99.5%; Reagent Alcohol, 70%, used for histology tissue preparation; Reagent Alcohol, 80%, used for histology tissue preparation; 1E37B0D2-6209-4B03-A57D-500F3223C2DA; Alcohol, United States Pharmacopeia (USP) Reference Standard; Ethanol, >=99.5%, suitable for absorption spectrum analysis; Ethanol-water solutions, NIST(R) SRM(R) 1828b, six levels; Ethyl alcohol, Pure, 200 proof, HPLC/spectrophotometric grade; Reagent Alcohol, 95%, Used for histology tissue preparation; Ethanol solution, NIST(R) SRM(R) 2897a, nominal mass fraction 2%; Ethanol solution, NIST(R) SRM(R) 2898a, nominal mass fraction 6%; Ethanol solution, NIST(R) SRM(R) 2899a, nominal 25% by mass; Ethanol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.9%; Ethanol, suitable for 300 per JIS, >=99.5%, for residue analysis; Ethyl alcohol, Pure, 190 proof, meets USP testing specifications; Ethyl alcohol, Pure, 200 proof, anhydrous, ZerO2(TM), >=99.5%; Ethyl alcohol, Pure, 200 proof, meets USP testing specifications; Specially Denatured Alcohol, 190 proof, SDA 23A, contains Acetone; Specially Denatured Alcohol, 190 proof, SDA 2B-3, contains Toluene; Specially Denatured Alcohol, 190 proof, SDA 30, contains Methanol; Specially Denatured Alcohol, 190 proof, SDA 3A, contains Methanol; Specially Denatured Alcohol, 200 proof, SDA 23A, contains Acetone; Specially Denatured Alcohol, 200 proof, SDA 2B-3, contains Toluene; Specially Denatured Alcohol, 200 proof, SDA 30, contains Methanol; Specially Denatured Alcohol, 200 proof, SDA 3A, contains Methanol; Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material; Dehydrated Alcohol, United States Pharmacopeia (USP) Reference Standard; Ethanol Fixative 80% v/v, suitable for fixing solution (blood films); Ethanol solution, certified reference material, 2000 mug/mL in methanol; Ethanol standards 10% (v/v), 10 % (v/v) in H2O, analytical standard; Ethanol, absolute, for gradient elution, sales not in Germany, >=99.9%; Ethanol, absolute, for HPLC, sales not in Germany1, >=99.8% (GC); Ethanol, absolute, semiconductor grade PURANAL(TM) (Honeywell 17826); Ethanol, suitable for 1000 per JIS, >=99.5%, for residue analysis; Ethanol-water solution, NIST(R) SRM(R) 2894, nominal mass fraction 0.1%; Ethanol-water solution, NIST(R) SRM(R) 2895, nominal mass fraction 0.2%; Ethanol-water solution, NIST(R) SRM(R) 2896, nominal mass fraction 0.3%; Ethanol-water solution, NIST(R) SRM(R) 2900, nominal 95.6% by mass; Ethyl Alcohol Absolute (Dehydrated, Synthetic) USP, BP/EP, JP Grade; Ethyl alcohol, Pure, 140 proof, Excise Tax-free, Permit for use required; Ethyl alcohol, Pure, 160 proof, Excise Tax-free, Permit for use required; Ethyl alcohol, Pure, 190 proof, ACS spectrophotometric grade, 95.0%; Specially Denatured Alcohol, 190 proof, SDA 2B-4, contains Heptanes; Specially Denatured Alcohol, 190 proof, SDA 2B-4, contains n-Heptane; Specially Denatured Alcohol, 190 proof, SDA 2B-5, contains n-Hexane; Specially Denatured Alcohol, 190 proof, SDA 35A, contains Ethyl acetate; Specially Denatured Alcohol, 190 proof, SDA 3C, contains Isopropanol; Specially Denatured Alcohol, 200 proof, SDA 2B-4, contains Heptanes; Specially Denatured Alcohol, 200 proof, SDA 2B-4, contains n-Heptane; Specially Denatured Alcohol, 200 proof, SDA 2B-5, contains n-Hexane; Specially Denatured Alcohol, 200 proof, SDA 35A, contains Ethyl acetate; Specially Denatured Alcohol, 200 proof, SDA 3C, contains"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16236	DB00898	DR0655	DR00377	46.07	0	C2H6O	20.2	2.8	-0.1	3	1	1	CCO	"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3"	LFQSCWFLJHTTHZ-UHFFFAOYSA-N
DG01772	Hydrogen peroxide	784	"Hydrogen peroxide; 7722-84-1; perhydrol; oxydol; Hydrogen dioxide; hydroperoxide; Superoxol; Interox; Inhibine; Peroxaan; Peroxide; Albone; Hioxyl; Kastone; Albone 35; Albone DS; Dihydrogen dioxide; T-Stuff; Lensept; Elawox; Perone; Albone 50; Albone 70; Perone 50; Albone 35CG; Albone 50CG; Albone 70CG; Hydrogen peroxide solution; H2O2; Hydrogen peroxide (H2O2); Peroxan; Hydrogen peroxide, 30%; Hydrogen dioxide solution; Hydrogen peroxide, 90%; Perone 30; Perone 35; Hydrogen peroxide, solution; Waterstofperoxyde; Hydrogen peroxide, 3%; Wasserstoffperoxid; Caswell No. 486AAA; Peroxyde d'hydrogene; Perossido di idrogeno; Asepticper; Baquashock; Crystacide; Peroxclean; CCRIS 1060; Dentasept; HSDB 547; Hybrite; Metrokur; Mirasept; Oxigenal; Oxyfull; Oxysept; Pegasyl; Hipox; Select Bleach; Hydrogen peroxide, solution, 3%; Hydrogen peroxide solution (DOT); Xtra White; Hydrogen peroxide (conc > 52%); Oxysept I; Hydrogen peroxide solutions; Hydrogen peroxide, solution, 30%; Hydrogen peroxide, solution, 35%; Lensan A; Odosat D; UNII-BBX060AN9V; Adeka Super EL; Crestal Whitestrips; UN2014; UN2015; UN2984; EPA Pesticide Chemical Code 000595; Anti-Keim 50; Hydrogen peroxide, 8% to 20%; Hydrogen peroxide, 20% to 60%; Hydrogen peroxide (> 52% conc.); Hydrogen peroxide [USP]; MFCD00011333; UN 2015 (>52%); BBX060AN9V; UN 2984 (8%-20%); UN 2014 (20%-52%); CHEBI:16240; NSC-19892; Hydrogen peroxide solutions (over 8% but not over 60%); Hydrogen peroxide solutions (over 60% but not over 70%); Hydrogen peroxide (USP); PEO; dioxidane; Puresept; hydrogenperoxide; Waterstofperoxyde [Dutch]; Accel Concentrate; Wasserstoffperoxid [German]; Astri-UC; HTP [peroxide]; High Test Peroxide; CIX; Peroxyde d'hydrogene [French]; Teat dip HP 5; Perossido di idrogeno [Italian]; Pre milk HP 0.5; Pre milk HP 1.0; Hydrogen peroxide 35%; EINECS 231-765-0; NSC 19892; Pre milk HP 0.5 10; Whitespeed; Eskata; Magic Bleaching; Clarigel Gold; Hyrogen peroxide; Lase Peroxide; Quasar Brite; Opalescence Xtra; Whiteness HP; Deslime LP; Hydrogen peroxide (conc >52%); hydrogen per oxide; dihydrogen peroxide; dihydrogen(peroxide); Oxyfull (TN); HOOH; hydrogen hydroperoxide; Nite White Excel 2; Oxydol (JP17); Hydrogen peroxide 50%; HYDROGEN-PEROXIDE; Hydrogen peroxide aqueous; Hydrogen Peroxide, 50%; Hydrogen peroxide (8CI); MolMap_000025; bis(hydridooxygen)(O--O); EC 231-765-0; 30 %Hydrogen peroxide(aq); CHEMBL71595; Hydrogen peroxide 32 wt. %; OXTERIL  350 SPRAY; [OH(OH)]; DTXSID2020715; Hydrogen peroxide, 6% in water; Hydrogen peroxide (H2O2) (9CI); NSC19892; WLN: H2 O2 90%; Hydrogen Peroxide [Topical Solution]; AKOS015856794; DB11091; QTL1_000041; Hydrogen peroxide, aqueous solutions with >40% but not >60% hydrogen peroxide (stabilized as necessary) [UN2014] [Oxidizer]; Hydrogen peroxide, aqueous solutions with not <20% but not >40% hydrogen peroxide (stabilized as necessary) [UN2014] [Oxidizer]; Hydrogen peroxide, aqueous solutions with not <8% but <20% hydrogen peroxide (stabilized as necessary) [UN2984] [Oxidizer]; Hydrogen peroxide, stabilized or hydrogen peroxide aqueous solutions, stabilized with >60% hydrogen peroxide [UN2015] [Oxidizer]; FT-0627133; H1222; C00027; D00008; Hydrogen peroxide solution, 3%, for microbiology; Hydrogen peroxide solution, for ultratrace analysis; Q171877; Q1088474; Hydrogen peroxide solution, extra pure, 30.0-32.0%; Hydrogen peroxide solution, purum p.a., >=30% (RT); Hydrogen peroxide solution, purum p.a., >=35% (RT); Hydrogen peroxide solution, >=30%, for trace analysis; Hydrogen peroxide solution, SAJ first grade, >=30.0%; Hydrogen peroxide solution, tested according to Ph.Eur.; Hydrogen peroxide solution, 50 wt. % in H2O, stabilized; Hydrogen peroxide solution, JIS special grade, 30.0-35.5%; Hydrogen peroxide solution, 30 % (w/w) in H2O, contains stabilizer; Hydrogen peroxide solution, contains inhibitor, 35 wt. % in H2O; Hydrogen peroxide solution, p.a., ACS reagent, reag. ISO, 30.0%; Hydrogen peroxide 30%, meets the analytical specifications of Ph. Eur., stabilized; Hydrogen Peroxide Solution, 30% (w/w), puriss. p.a., reag. ISO, reag. Ph. Eur.; Hydrogen peroxide solution, AR, contains sodium pyrophosphate as stabilizer, >=30 % (w/v); Hydrogen peroxide solution, contains ~200 ppm acetanilide as stabilizer, 3 wt. % in H2O; Hydrogen peroxide solution, contains inhibitor, 30 wt. % in H2O, ACS reagent; Hydrogen peroxide solution, LR, contains sodium pyrophosphate as stabilizer, >=30 % (w/v); Hydrogen peroxide solution, LR, contains sodium pyrophosphate as stabilizer, >=50 % (w/v); Hydrogen peroxide solution, meets analytical specification of Ph. Nord., 34.5-36.5%; Hydrogen peroxide solution, puriss. p.a., ACS reagent, not stabilized, >=30% (RT); Hydrogen peroxide solution, semiconductor grade MOS PURANAL(TM) (Honeywell 17937), >=30%; Hydrogen peroxide solution, semiconductor grade PURANAL(TM) (Honeywell 17948), >=30%; Hydrogen peroxide solution, semiconductor grade ULSI PURANAL(TM) (Honeywell 17024), >=30%; Hydrogen peroxide solution, semiconductor grade VLSI PURANAL(TM) (Honeywell 17606), >=30%; Hydrogen peroxide solution, contains inhibitor, 30 wt. % in H2O, meets USP testing specifications; Hydrogen peroxide solution, contains potassium stannate as inhibitor, 30-32 wt. % in water, semiconductor grade, 99.999% trace metals basis; Hydrogen peroxide, aqueous solutions with >40% but not >60% hydrogen peroxide (stabilized as necessary); Hydrogen peroxide, aqueous solutions with >40% but not >60% hydrogen peroxide (stabilized as necessary) [UN2014] [Oxidizer]; Hydrogen peroxide, aqueous solutions with not <20% but not >40% hydrogen peroxide (stabilized as necessary); Hydrogen peroxide, aqueous solutions with not <20% but not >40% hydrogen peroxide (stabilized as necessary) [UN2014] [Oxidizer]; Hydrogen peroxide, aqueous solutions with not <8% but <20% hydrogen peroxide (stabilized as necessary); Hydrogen peroxide, aqueous solutions with not <8% but <20% hydrogen peroxide (stabilized as necessary) [UN2984] [Oxidizer]; Hydrogen peroxide, stabilized or hydrogen peroxide aqueous solutions, stabilized with >60% hydrogen peroxide; Hydrogen peroxide, stabilized or hydrogen peroxide aqueous solutions, stabilized with >60% hydrogen peroxide [UN2015] [Oxidizer]"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16240	DB11091	DR0832	.	34.015	0	H2O2	40.5	0	-0.9	2	2	2	OO	InChI=1S/H2O2/c1-2/h1-2H	MHAJPDPJQMAIIY-UHFFFAOYSA-N
DG01773	Hydroquinone	785	"Hydroquinone; Benzene-1,4-diol; 1,4-benzenediol; 123-31-9; Quinol; 1,4-Dihydroxybenzene; p-Benzenediol; p-Hydroquinone; p-Hydroxyphenol; p-Dihydroxybenzene; 4-Hydroxyphenol; Benzoquinol; Eldoquin; hydroquinol; Eldopaque; Phiaquin; p-Dioxybenzene; Dihydroquinone; Hydroquinole; Idrochinone; Tecquinol; Dihydroxybenzene; Solaquin forte; Benzohydroquinone; Arctuvin; Hidroquinone; Tequinol; Derma-Blanch; Tenox HQ; Hydrochinon; Hydrochinone; Artra; Eldopaque Forte; Eldoquin Forte; Diak 5; Benzene, p-dihydroxy-; 1,4-Dihydroxy-benzol; Usaf ek-356; 1,4-Diidrobenzene; p-Dioxobenzene; 1,4-Dihydroxybenzen; para-Dioxybenzene; para-Hydroquinone; Pyrogentistic acid; 1,4-Dihydroxy-benzeen; NCI-C55834; HE 5; para-Dihydroxybenzene; Black and White Bleaching Cream; Melanex; Idrochinone [Italian]; Hydrochinon [Czech, Polish]; 1,4-Dihydroxybenzen [Czech]; 1,4-Diidrobenzene [Italian]; 1,4-Dihydroxy-benzeen [Dutch]; 1,4-Dihydroxy-benzol [German]; UNII-XV74C1N1AE; NSC 9247; UN2662; Hydroquinone [USP]; CHEBI:17594; AI3-00072; 4-DIHYDROXYBENZENE; MFCD00002339; HQ; CHEMBL537; XV74C1N1AE; 1,4-Benzenediol, homopolymer; DTXSID7020716; NSC-9247; Hydroquinone [UN2662] [Poison]; Hydroquinone (USP); NCGC00015523-02; beta-quinol; DSSTox_CID_716; para-Hydroxyphenol; DSSTox_RID_75754; DSSTox_GSID_20716; Eldopacque; Hydroquinone (Benzene-1,4-diol); Epiquin; Sunvanish; p Benzendiol; p-Dihydroquinone; alpha-hydroquinone; 26982-52-5; CAS-123-31-9; SMR000059154; CCRIS 714; 1,4-Hydroxybenzene; HSDB 577; SR-01000075920; EINECS 204-617-8; hydroquinon; Hydroquinoue; hydroq uinone; hydroquinone gr; a-Hydroquinone; Black & White Bleaching Cream; p-Hydroxybenzene; b-Quinol; 4-Benzenediol; Hydroquinone, HQ; .beta.-Quinol; 1,4 benzenediol; Hydroquinone,(S); p-dihydroxy benzene; HQE; Hydroquinone polymer; PLQ; Artra (Salt/Mix); 1, 4-Benzenediol; HYDROP; .alpha.-Hydroquinone; phenol derivative, 4; 4-hydroxyphenyl alcohol; Spectrum_001757; 4e3h; SpecPlus_000769; 1,4-Dihydrobenzoquinone; ELDOQUIN (TN); hydroquinone for synthesis; Spectrum2_001672; Spectrum3_000656; Spectrum4_000633; Spectrum5_001430; Lopac-H-9003; 1,2 BENZOLDIOL; WLN: QR DQ; bmse000293; Epitope ID:116206; EC 204-617-8; Lopac0_000577; SCHEMBL15516; BSPBio_002291; KBioGR_001246; KBioSS_002237; 1,4-Dihydroxybenzene, XIII; Hydroquinone-1,4-Benzenediol; MLS000069815; MLS001074911; BIDD:ER0340; DivK1c_006865; Hydroquinone, LR, >=99%; SPECTRUM1504237; Hydrochinon(CZECH, POLISH); SPBio_001883; BDBM26190; Hydroquinone, puriss., 99.0%; KBio1_001809; KBio2_002237; KBio2_004805; KBio2_007373; KBio3_001511; NSC9247; Benzene-1,4-diol (Hydroquinone); HMS1922H15; HMS2093E08; HMS3261D16; LABOTEST-BB LTBB001931; Pharmakon1600-01504237; HY-B0951; ZINC5133378; Tox21_110169; Tox21_202345; Tox21_300015; Tox21_500577; CCG-39082; NSC758707; s4580; STK397446; AKOS000119003; Tox21_110169_1; AM10548; AS00174; DB09526; LP00577; MCULE-3953269041; NSC-758707; SDCCGSBI-0050559.P003; UN 2662; Hydroquinone, ReagentPlus(R), >=99%; Hydroquinone, USP, 99.0-100.5%; NCGC00015523-01; NCGC00015523-03; NCGC00015523-04; NCGC00015523-05; NCGC00015523-06; NCGC00015523-07; NCGC00015523-08; NCGC00015523-09; NCGC00015523-10; NCGC00015523-11; NCGC00015523-12; NCGC00015523-13; NCGC00015523-19; NCGC00090880-01; NCGC00090880-02; NCGC00090880-03; NCGC00090880-04; NCGC00090880-05; NCGC00254037-01; NCGC00259894-01; NCGC00261262-01; BP-21160; DA-33570; Hydroquinone, ReagentPlus(R), >=99.5%; SBI-0050559.P002; Hydroquinone, SAJ first grade, >=99.0%; EU-0100577; FT-0606877; H0186; Hydroquinone, SAJ special grade, >=99.0%; Hydroquinone, meets USP testing specifications; C00530; D00073; H 9003; AB00053361_08; Quinol; 1,4-Benzenediol; 1,4-Dihydroxybenzene; Q419164; J-004910; J-521469; SR-01000075920-1; SR-01000075920-4; Q27102742; Z57127551; 094CADDB-59BF-4EDF-B278-59791B203EA2; F1908-0167; Hydroquinone, certified reference material, TraceCERT(R); Hydroquinone, United States Pharmacopeia (USP) Reference Standard; Hydroquinone, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17594	DB09526	DR0835	.	110.11	0	C6H6O2	40.5	54.9	0.6	8	2	2	C1=CC(=CC=C1O)O	"InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H"	QIGBRXMKCJKVMJ-UHFFFAOYSA-N
DG01774	Indole-3-acetic acid	802	"Indole-3-acetic acid; 87-51-4; 3-Indoleacetic acid; indoleacetic acid; Heteroauxin; 1H-Indole-3-acetic acid; 1H-indol-3-ylacetic acid; 2-(1H-Indol-3-yl)acetic acid; Rhizopin; Indol-3-ylacetic acid; 3-Iaa; Rhizopon A; 3-Indolylacetic acid; Hexteroauxin; beta-Indoleacetic acid; 3-(Carboxymethyl)indole; auxin; indoleacetate; Acetic acid, indolyl-; Heteroauxinhexteroauxiniaa; Indolylacetic acid; beta-Indolylacetic acid; IAA; indole-3-acetate; Indolyl-3-acetic acid; omega-Skatole carboxylic acid; Kyselina 3-indolyloctova; (1H-Indol-3-yl)-acetic acid; Indoleacetic acid (VAN); 3-indole acetic acid; (indol-3-yl)acetate; CCRIS 1014; EPA Pesticide Chemical Code 128915; Kyselina 3-indolyloctova [Czech]; (indol-3-yl)acetic acid; AI3-24131; 2-(3-Indolyl)acetic acid; NSC 3787; (1H-Indol-3-yl)acetic acid; 2-(indol-3-yl)ethanoic acid; 3-Indolylessigsaeure; UNII-6U1S09C61L; .alpha.-IAA; .beta.-IAA; Indole 3-acetic acid; 3-Indole-Acetic acid; 1H-Indole-3-acetic acid (9CI); .beta.-Indoleacetic acid; MFCD00005636; .beta.-Indolylacetic acid; .beta.-Indole-3-acetic acid; CHEMBL82411; Indole-3-acetic acid (8CI); .omega.-Skatole carboxylic acid; CHEBI:16411; .alpha.-Indol-3-yl-acetic acid; NSC3787; 6U1S09C61L; Heteroauxine; 3-indoleacetate; DSSTox_CID_738; DSSTox_RID_75762; DSSTox_GSID_20738; 1H-Indole-3-acetate; (1H-indol-3-yl)acetate; CAS-87-51-4; IES; SMR000471855; EINECS 201-748-2; Indolylacetate; b-Indoleacetate; b-Indolylacetate; 3-Indolylacetate; alpha-IAA; beta-Indoleacetate; beta-IAA; beta-Indolylacetate; Indol-3-ylacetate; Indolyl-3-acetate; Skatole carboxylate; b-Indoleacetic acid; IAC; b-Indolylacetic acid; Indole-3acetic acid; indol-3-acetic acid; indole-3-acetic aicd; 3-indolyl acetic acid; 3-indolyl-acetic acid; Skatole carboxylic acid; Acid, 6; 2-(3-Indolyl)acetate; Indole-3-acetic-t acid; 1H-indol-3-acetic acid; Maybridge1_006755; 1H-Indole 3-acetic acid; beta-Indole-3-acetic acid; bmse000177; (1H-Indol-3-yl)-acetate; 3-Indoleacetic acid, 98%; 3-Indoleacetic acid, 99%; Oprea1_602123; SCHEMBL26344; MLS001066408; MLS001331664; MLS001332399; MLS001332400; 3-Indolylmethylcarboxylic acid; alpha-Indol-3-yl-acetic acid; WLN: T56 BMJ D1VQ; [3H]-IAA; DTXSID5020738; HMS560L01; ZINC83860; AMY2736; 2-(1H-indol-3-yl)-acetic acid; HMS2269G24; HMS3604M04; ACT03586; ALBB-006264; BCP26623; NSC-3787; Tox21_202284; Tox21_302731; BBL009348; BDBM50201883; CCG-51070; HTS001756; s4799; STK397461; AKOS000119890; 1H-Indole-3-acetic-a-t acid (9CI); AC-2974; CG-0522; CS-6287; DB07950; MCULE-9266736782; SDCCGMLS-0066204.P001; 3-Indoleacetic acid, >=98.0% (T); NCGC00247039-01; NCGC00247039-02; NCGC00256391-01; NCGC00259833-01; HY-18569; SY003464; DB-011566; BB 0242380; EU-0099905; FT-0627215; FT-0695803; I0022; 3-Indoleacetic acid, technical, >=95% (T); 87I514; C00954; I-1000; I-1040; Q411208; SR-01000596909; 2-(1H-indol-3-yl)acetic acid;Indole-3-acetic acid; 3-Indoleacetic acid, SAJ special grade, >=98.5%; SR-01000596909-1; SR-01000596909-2; 3-Indolyl acetic acid 100 microg/mL in Acetonitrile; 2-(3-Indolyl)acetic acid 3-(Carboxymethyl)-1H-indole; 3-Indoleacetic acid, PESTANAL(R), analytical standard; F0722-8837; 0A0524AE-D755-4E91-A73A-2AD867FE676A; 3-Indoleacetic acid, plant cell culture tested, crystalline"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB07950	.	.	175.18	2	C10H9NO2	53.1	205	1.4	13	2	2	C1=CC=C2C(=C1)C(=CN2)CC(=O)O	"InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)"	SEOVTRFCIGRIMH-UHFFFAOYSA-N
DG01775	Melatonin	896	"Melatonin; 73-31-4; Melatonine; N-Acetyl-5-methoxytryptamine; N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide; Circadin; 5-Methoxy-N-acetyltryptamine; N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide; Melatol; Melovine; Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-; N-[2-(5-methoxyindol-3-yl)ethyl]acetamide; N-(2-(5-Methoxyindol-3-yl)ethyl)acetamide; UNII-JL5DK93RCL; N-acetyl-5-methoxy-tryptamine; NSC 113928; 8041-44-9; CHEMBL45; MFCD00005655; JL5DK93RCL; Acetamide, N-(2-(5-methoxyindol-3-yl)ethyl)-; 3-(n-acetyl-2-aminoethyl)-5-methoxyindole; Melatonex; CHEBI:16796; Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]-; NSC-56423; NSC113928; NSC-113928; CAS-73-31-4; NCGC00015680-11; DSSTox_CID_2421; DSSTox_RID_76585; DSSTox_GSID_22421; Melapure; Posidorm; Primex; WLN: T56 BMJ D2MV1 GO1; [3H]melatonin; Melatonina (TN); [3H]-melatonin; ML1; SMR000326666; CCRIS 3472; N-(2-(5-methoxyindol-3-yl)ethyl)-Acetamide; N-[2-(5-methoxyindol-3-yl)ethyl]-Acetamide; N-[2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide; SR-01000075559; EINECS 200-797-7; BRN 0205542; [3H]MLT; Acetamide, N-(2-(5-methoxy-1H-indol-3-yl)ethyl)- (9CI); Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]- (9CI); Melatonine;; Guna-dermo; HSDB 7509; Melatobel (TN); Melatonin (JAN); TNP00300; Prestwick_312; N-[2-(5-Methoxy-1H-indol-3-yl)-ethyl]-acetamide; Spectrum_000185; Guna-dermo (Salt/Mix); Primex (8CI,9CI); Prestwick0_000458; Prestwick1_000458; Prestwick2_000458; Prestwick3_000458; Spectrum2_001344; Spectrum3_001393; Spectrum4_000066; Spectrum5_001745; Lopac-M-5250; M1105; ChemDiv2_003916; M 5250; M-1200; M-1250; Melatonin, >=99.5%; Lopac0_000787; Oprea1_104553; Oprea1_814234; SCHEMBL19018; BSPBio_000536; BSPBio_003006; GTPL224; KBioGR_000591; KBioSS_000665; 5-22-12-00042 (Beilstein Handbook Reference); Acetamide, {N-[2-(5-methoxyindol-3-yl)ethyl]-}; MLS000859594; MLS001055382; MLS001240204; 5-methoxy n-acetyl-tryptamine; BIDD:ER0618; DivK1c_000353; SPECTRUM1500690; SPBio_001527; SPBio_002475; Melatonin (synth.) ultra-pure; BDBM9019; BPBio1_000590; GTPL1357; Acetamide, {N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-}; DTXSID1022421; HMS501B15; KBio1_000353; KBio2_000665; KBio2_003233; KBio2_005801; KBio3_002226; ZINC57060; BCI-049; Melatonin 1.0 mg/ml in Methanol; NINDS_000353; 3-N-Acetyl-5-methoxyl tryptamine; HMS1380B22; HMS1569K18; HMS1921E04; HMS2089F09; HMS2096K18; HMS2233D23; HMS3262M16; HMS3370J20; HMS3413P14; HMS3654A22; HMS3677P14; HMS3713K18; HMS3884M05; Melatonin (synth.) standard-grade; ACT03490; AMY33320; BCP28154; HY-B0075; NSC56423; Tox21_110195; Tox21_201527; Tox21_302926; Tox21_500787; CCG-38837; HSCI1_000400; Melatonin, powder, >=98% (TLC); STK386880; AKOS000276269; Tox21_110195_1; CS-1769; DB01065; J5.258B; KS-1454; LP00787; MCULE-1497884152; SDCCGMLS-0065812.P001; SDCCGMLS-0065812.P002; SDCCGSBI-0050765.P003; IDI1_000353; IDI1_002631; SMP2_000309; N-acetyl-5-methoxy-tryptamine Melatonine; NCGC00015680-01; NCGC00015680-02; NCGC00015680-03; NCGC00015680-04; NCGC00015680-05; NCGC00015680-06; NCGC00015680-07; NCGC00015680-08; NCGC00015680-09; NCGC00015680-10; NCGC00015680-12; NCGC00015680-13; NCGC00015680-14; NCGC00015680-15; NCGC00015680-16; NCGC00015680-18; NCGC00015680-35; NCGC00090727-01; NCGC00090727-02; NCGC00090727-03; NCGC00090727-04; NCGC00090727-05; NCGC00090727-06; NCGC00090727-07; NCGC00090727-08; NCGC00090727-09; NCGC00256404-01; NCGC00259077-01; NCGC00261472-01; AC-10019; BA164660; NCI60_004378; SY051401; AB00053279; EU-0100787; FT-0628191; FT-0658928; FT-0670984; S1204; SW196607-4; C01598; D08170; J10164; AB00053279-10; AB00053279_12; {N-[2-(5-methoxyindol-3-yl)ethyl]-} Acetamide; 005M655; A929721; L001261; N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-Acetamide; Q180912; SR-01000075559-1; SR-01000075559-6; SR-01000075559-7; SR-01000075559-8; {N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-} Acetamide; BRD-K97530723-001-07-6; BRD-K97530723-001-11-8; F1929-1777; Melatonin, British Pharmacopoeia (BP) Reference Standard; 0E2B08C1-B325-45B1-8939-6F9081EFDFA4; Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]- (6CI,8CI); Melatonin, United States Pharmacopeia (USP) Reference Standard; Melatonin, Pharmaceutical Secondary Standard; Certified Reference Material; Melatonin solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16796	DB01065	DR1018	.	232.28	4	C13H16N2O2	54.1	270	0.8	17	2	2	CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC	"InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)"	DRLFMBDRBRZALE-UHFFFAOYSA-N
DG01776	Nickel	935	"7440-02-0; Ni; Nickel; Raney alloy; Nickel ion; niccolum; niquel; Nickel foil; Nickel, ion (Ni1+); Nickel,Raney Nickel; UNII-7OV03QG267; nickel(1+); UNII-NUZ5T2QN2V; NICKEL (III) ION; NUZ5T2QN2V; 28Ni; Nickel powder; Nickel rod; Nickel wire; Nickel nanowires; CHEBI:28112; 7OV03QG267; MFCD00011137; Fibrex; Nickel catalyst; Fibrex P; Nickel, elemental; Nichel [Italian]; Nickel 207; Alcan 756; Metallic nickel; Niccolum metallicum; NI 0901-S (harshaw); Nickel Ultrathin foil, 1.0 micron thick; CCRIS 427; EL12; NP 2; Ni 4303T; HSDB 1096; Ni 270; Nickel wire, 0.5mm (0.02in) dia, annealed; Nickel wire, 1.0mm (0.04in) dia, annealed; Nickel wire, 2.0mm (0.08in) dia, annealed; Nickel, elemental/metal; Ni 0901-S; RCH 55/5; Nickel foil, 0.025mm (0.001in) thick, annealed; Nickel, soluble compounds; EINECS 231-111-4; Nickel [Nickel and nickel compounds]; CI 77775; Nickel hydride; Nickel pellets; Nickel pieces; Nickel tubing; Nickel Nanorods; Nickel Nanowire; Nickel, crucible, cylindrical, length 1 pcs, outside diameter 33mm; Nickel, crucible, cylindrical, length 1 pcs, outside diameter 47mm; Raney Nickle; Raney-Nickel; Raney-Nickle; RaneyTM nickel; Nano Nickel; Raney's nickel; C.I. 77775; Ni on silica; Nickel on silica; RaNi; Nickel Nanoprisms; nickel on alumina; Raney(R) nickel; Nickel Monohydride; nickel(I) cation; Nickel Metal Foam; Nickel Nanoparticle; Nickel Metal Wires; 3NI; Nickel atomic spectroscopy standard concentrate 10.00 g Ni, 10.00 g/L, for 1L standard solution, analytical standard; Raney nickel, fine; Raney (R) nickel; Nickel metal and insoluble compounds; Nickel Nanoparticles; nickel(1+) ion; Ra-Ni; Nickel ion(1+); Nickel, metal and insoluble compounds; Nickel Nano Dispersion; Nickel on silica/alumina; Skeletal Nickel Catalyst; Activated Nickel Catalyst; Nickel [Nickel and certain nickel compounds]; Epitope ID:113234; Nanocrystalline Nickel Foil; Nickel Nanowires Properties; Ultra Thin Nickel Nanofoil; EC 231-111-4; nickel sponge metal catalyst; Nickel powder, -100 mesh; Nickel powder, -325 mesh; Nickel, metal, soluble, insoluble, and inorganic; Ni(+); Nickel ~60wt% on kieselguhr; Nickel Metal Organic Framework; Nickel Metal-Organic Framework; Nickel, p.a., 99.8%; DTXSID2020925; Nickel Powder, 99.5+% Nano; CHEBI:30399; Carbon Coated Nickel Nanoparticle; DTXSID20872443; Nickel nanopowder, APS 5-20nm; Nickel powder, -50+100 mesh; Nickel powder, APS 3-7 micron; Submicron Superfine Nickel Powder; Nickel powder, -150+200 mesh; BCP27597; Nickel wire cloth, 34 x 34 mesh; Nickel plating solution, electroless; MFCD06798735; Nickel based Metal Organic Framework; Nickel-based Metal-Organic Framework; Nickel rod, 12.7mm (0.5in) dia; Nickel rod, 3.2mm (0.12in) dia; AKOS005259071; Nickel powder, spherical, -300 mesh; Nickel powder, spherical, -400 mesh; Nickel Silica Core Shell Nanoparticles; Nickel Silver Core/Shell Nanoparticles; Nickel pieces, 5x5cm (2.0x2.0in); Nickel rod, 6.35mm (0.25in) dia; Nickel foil, 1.0mm (0.04in) thick; Nickel foil, 2.0mm (0.08in) thick; Nickel foil, 0.1mm (0.004in) thick; Nickel foil, 0.25mm (0.01in) thick; Nickel powder, -120 mesh, Puratronic ; BP-12712; Nickel lump, vacuum remelted, low Oxygen; Nickel plate, 6.35mm (0.25in) thick; Nickel powder, low carbon, Puratronic(R); Nickel wire, 0.38mm (0.015in) dia; Nickel wire, 0.63mm (0.025in) dia; Nickel, hollow spheres, ca. 3.5mm dia.; Nickel shot, 3-25mm (0.1-0.98in); Nickel Ultrathin foil, 0.25 micron thick; Copper Telluride (CuTe) Sputtering Targets; Nickel foil, 0.025mm (0.001in) thick; Nickel plating solution, semi-bright finish; Nickel powder, spherical, -100+325 mesh; Nickel wire, 1.0mm (0.04in) dia, hard; Nickel, rod, 50mm, diameter 30mm, 99%; Nickel, rod, 50mm, diameter 40mm, 99%; FT-0703645; Nickel, foil, thickness 1.0 mm, 99.98%; Nickel, rod, 100mm, diameter 30mm, 99%; Nickel, rod, 100mm, diameter 40mm, 99%; Nickel, rod, 200mm, diameter 30mm, 99%; Nickel, rod, 200mm, diameter 40mm, 99%; Nickel, foil, thickness 1.0 mm, 99.995%; Nickel, rod, 100mm, diameter 3.0mm, 99%; Nickel, rod, 100mm, diameter 9.5mm, 99%; Nickel, rod, 200mm, diameter 3.0mm, 99%; Nickel, rod, 200mm, diameter 9.5mm, 99%; Nickel, rod, 500mm, diameter 3.0mm, 99%; Nickel, rod, 500mm, diameter 9.5mm, 99%; Nickel, wire, diam. 0.25 mm, >=99.9%; C00291; Nickel flake, -325 mesh, 0.37 micron thick; Nickel Thinfoil, 0.01mm (0.0004in) thick; Nickel wire, 0.01mm (0.0004in) dia, hard; Nickel wire, 0.025mm (0.001in) dia, hard; Nickel, rod, 1000mm, diameter 3.0mm, 99%; Nickel, rod, 1000mm, diameter 9.5mm, 99%; Nickel, rod, 100mm, diameter 12.0mm, 99%; Nickel, rod, 100mm, diameter 20.0mm, 99%; Nickel, rod, 100mm, diameter 6.35mm, 99%; Nickel, rod, 200mm, diameter 12.0mm, 99%; Nickel, rod, 200mm, diameter 20.0mm, 99%; Nickel, rod, 200mm, diameter 6.35mm, 99%; Nickel, rod, 500mm, diameter 12.0mm, 99%; Nickel, rod, 500mm, diameter 20.0mm, 99%; Nickel, rod, 500mm, diameter 6.35mm, 99%; Nickel foil, 0.5mm (0.02in) thick, annealed; Nickel isotopic standard, NIST(R) SRM(R) 986; Nickel wire, 0.25mm (0.01in) dia, annealed; Nickel wire, 1.6mm (0.063in) dia, annealed; Nickel, foil, thickness 0.125 mm, >=99.9%; Nickel, rod, 1000mm, diameter 12.0mm, 99%; Nickel, rod, 1000mm, diameter 20.0mm, 99%; Nickel, rod, 1000mm, diameter 6.35mm, 99%; Nickel, rod, 50mm, diameter 16mm, 99.99+%; A838111; Nickel foil, 0.05mm (0.002in) thick, annealed; Nickel plating solution, electroless, ammonia free; Nickel Thinfoil, 0.0025mm (0.0001in) thick; Nickel wire, 1.0mm (0.04in) dia, Puratronic ; Nickel, foil, 50x50mm, thickness 1.6mm, 99%; Nickel, rod, 100mm, diameter 16mm, 99.99+%; Nickel, rod, 200mm, diameter 16mm, 99.99+%; Nickel, rod, 50mm, diameter 25.4mm, 99.98%; Nickel, rod, 50mm, diameter 3.3mm, 99.99+%; Nickel, rod, 50mm, diameter 5.0mm, 99.99+%; Nickel foil, 0.127mm (0.005in) thick, annealed; Nickel foil, 0.787mm (0.031in) thick, annealed; Nickel Thinfoil, 0.0125mm (0.000492in) thick; Nickel, foil, 100x100mm, thickness 1.6mm, 99%; Nickel, foil, 150x150mm, thickness 1.6mm, 99%; Nickel, foil, 1m coil, thickness 0.02mm, 99.9%; Nickel, foil, 1m coil, thickness 0.03mm, 99.9%; Nickel, foil, 1m coil, thickness 0.05mm, 99.9%; Nickel, foil, 2m coil, thickness 0.02mm, 99.9%; Nickel, foil, 2m coil, thickness 0.03mm, 99.9%; Nickel, foil, 2m coil, thickness 0.05mm, 99.9%; Nickel, foil, 300x300mm, thickness 1.6mm, 99%; Nickel, pellets, 20g, max. size 5mm, 99.99+%; Nickel, pellets, 50g, max. size 5mm, 99.99+%; Nickel, powder, <1 mum, 99.8% trace metals basis; Nickel, rod, 100mm, diameter 1.5mm, 99.99+%; Nickel, rod, 100mm, diameter 12.7mm, 99.98%; Nickel, rod, 100mm, diameter 2.0mm, 99.99+%; Nickel, rod, 100mm, diameter 25.4mm, 99.98%; Nickel, rod, 100mm, diameter 3.3mm, 99.99+%; Nickel, rod, 100mm, diameter 5.0mm, 99.99+%; Nickel, rod, 200mm, diameter 1.5mm, 99.99+%; Nickel, rod, 200mm, diameter 12.7mm, 99.98%; Nickel, rod, 200mm, diameter 2.0mm, 99.99+%; Nickel, rod, 200mm, diameter 25.4mm, 99.98%; Nickel, rod, 200mm, diameter 3.3mm, 99.99+%; Nickel, rod, 200mm, diameter 5.0mm, 99.99+%; Nickel, rod, 500mm, diameter 1.5mm, 99.99+%; Nickel, rod, 500mm, diameter 12.7mm, 99.98%; Nickel, rod, 500mm, diameter 2.0mm, 99.99+%; Nickel, rod, 500mm, diameter 3.3mm, 99.99+%; Nickel, rod, 50mm, diameter 10.0mm, 99.99+%; Nickel, rod, 50mm, diameter 25.4mm, 99.99+%; Nickel Powder, 99.9+% (metal basis, O<10%) Nano; Nickel, foil, 1m coil, thickness 0.015mm, 99.9%; Nickel, foil, 1m coil, thickness 0.01mm, 99.95%; Nickel, foil, 1m coil, thickness 0.025mm, 99.9%; Nickel, foil, 1m coil, thickness 0.038mm, 99.9%; Nickel, foil, 2m coil, thickness 0.015mm, 99.9%; Nickel, foil, 2m coil, thickness 0.01mm, 99.95%; Nickel, foil, 2m coil, thickness 0.025mm, 99.9%; Nickel, foil, 2m coil, thickness 0.038mm, 99.9%; Nickel, foil, 4mm disks, thickness 0.02mm, 99.9%; Nickel, foil, 4mm disks, thickness 0.03mm, 99.9%; Nickel, foil, 4mm disks, thickness 0.05mm, 99.9%; Nickel, foil, 5m coil, thickness 0.01mm, 99.95%; Nickel, foil, 6mm disks, thickness 0.02mm, 99.9%; Nickel, foil, 6mm disks, thickness 0.03mm, 99.9%; Nickel, foil, 6mm disks, thickness 0.05mm, 99.9%; Nickel, foil, 8mm disks, thickness 0.02mm, 99.9%; Nickel, foil, 8mm disks, thickness 0.03mm, 99.9%; Nickel, foil, 8mm disks, thickness 0.05mm, 99.9%; Nickel, pellets, 100g, max. size 10mm, 99.99+%; Nickel, pellets, 100g, max. size 10mm, 99.999%; Nickel, pellets, 100g, max. size 15mm, 99.99+%; Nickel, pellets, 100g, max. size 20mm, 99.99+%; Nickel, pellets, 100g, max. size 5mm, 99.99+%; Nickel, pellets, 20g, max. size 10mm, 99.99+%; Nickel, pellets, 20g, max. size 10mm, 99.999%; Nickel, pellets, 20g, max. size 15mm, 99.99+%; Nickel, pellets, 20g, max. size 20mm, 99.99+%; Nickel, pellets, 50g, max. size 10mm, 99.99+%; Nickel, pellets, 50g, max. size 10mm, 99.999%; Nickel, pellets, 50g, max. size 15mm, 99.99+%; Nickel, pellets, 50g, max. size 20mm, 99.99+%; Nickel, powder, <50 mum, 99.7% trace metals basis; Nickel, rod, 1000mm, diameter 1.5mm, 99.99+%; Nickel, rod, 1000mm, diameter 12.7mm, 99.98%; Nickel, rod, 1000mm, diameter 2.0mm, 99.99+%; Nickel, rod, 100mm, diameter 10.0mm, 99.99+%; Nickel, rod, 100mm, diameter 2.0mm, annealed, 99%; Nickel, rod, 100mm, diameter 25.4mm, 99.99+%; Nickel, rod, 200mm, diameter 10.0mm, 99.99+%; Nickel, rod, 200mm, diameter 2.0mm, annealed, 99%; Nickel, rod, 200mm, diameter 25.4mm, 99.99+%; Nickel, rod, 500mm, diameter 2.0mm, annealed, 99%; Q27113549; Nickel, foil, 0.5m coil, thickness 0.015mm, 99.9%; Nickel, foil, 0.5m coil, thickness 0.01mm, 99.95%; Nickel, foil, 0.5m coil, thickness 0.025mm, 99.9%; Nickel, foil, 0.5m coil, thickness 0.02mm, 99.9%; Nickel, foil, 0.5m coil, thickness 0.038mm, 99.9%; Nickel, foil, 0.5m coil, thickness 0.03mm, 99.9%; Nickel, foil, 0.5m coil, thickness 0.05mm, 99.9%; Nickel, foil, 10m coil, thickness 0.01mm, 99.95%; Nickel, foil, 10mm disks, thickness 0.015mm, 99.9%; Nickel, foil, 10mm disks, thickness 0.01mm, 99.95%; Nickel, foil, 10mm disks, thickness 0.025mm, 99.9%; Nickel, foil, 10mm disks, thickness 0.02mm, 99.9%; Nickel, foil, 10mm disks, thickness 0.038mm, 99.9%; Nickel, foil, 10mm disks, thickness 0.03mm, 99.9%; Nickel, foil, 10mm disks, thickness 0.05mm, 99.9%; Nickel, foil, 15mm disks, thickness 0.015mm, 99.9%; Nickel, foil, 15mm disks, thickness 0.01mm, 99.95%; Nickel, foil, 15mm disks, thickness 0.025mm, 99.9%; Nickel"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	58.693	0	Ni	0	0	.	1	0	0	[Ni]	InChI=1S/Ni	PXHVJJICTQNCMI-UHFFFAOYSA-N
DG01777	Oxygen	977	"7782-44-7; O; Oxygen; Molecular oxygen; oxygen molecule; Dioxygen; Pure oxygen; Oxygenium; Liquid oxygen; Hyperoxia; Sauerstoff; Oxygen-16; Oxygen (liquid); Oxygen, liquified; Oxygenium medicinale; oxygene; CCRIS 1228; HSDB 5054; O2; UN1072; UN1073; UNII-S88TT14065; Peroxide Ion; CHEBI:15379; S88TT14065; LOX; E948; E-948; Oxygene [French]; Oxigeno [Spanish]; OXY; Compressed oxygen; Oxygen [USP]; EINECS 231-956-9; dioxidanediyl; dioxygene; Disauerstoff; oxygen monoxide; Peroxy radical; singlet dioxygen; triplet dioxygen; Oxygen USP; Oxygen, compressed; Oxygen 93 percent; singlet molecular oxygen; triplet molecular oxygen; Oxygen (8CI,9CI); Oxygen (JP17/USP); dioxygen(2.) (triplet); Oxygen, >=99.6%; Oxygen, compressed [UN1072] [Nonflammable gas]; RNS60 COMPONENT OXYGEN; [OO]; INS NO.948; Oxygen, >=99.998%; CHEMBL1234886; DTXSID2037681; RNS-60 COMPONENT OXYGEN; CHEBI:26689; CHEBI:27140; INS-948; Oxygen, refrigerated liquid (cryogenic liquid) [UN1073] [Nonflammable gas]; DB09140; UN 1072; UN 1073; Oxygen, Messer(R) CANGas, 99.999%; DS-014940; (1)O2; E 948; C00007; D00003; O2(2.); Oxygen, refrigerated liquid (cryogenic liquid); Oxygen, compressed [UN1072] [Nonflammable gas]; (O2)(..); (O2)(2.); Q5203615; UNII-K21NZZ5Y0B component MYMOFIZGZYHOMD-UHFFFAOYSA-N; AQUANAL(TM)-plus oxygen (O2) 1-12 mg/L, refill pack for 37428; AQUANAL(TM)-plus oxygen (O2) 1-12 mg/L, test set with color comparator; 4-Chloro-3-(chloro-difluoro-methyl)-4,4-difluoro-1-thiophen-2-yl-but-2-en-2-one; Oxygen, refrigerated liquid (cryogenic liquid) [UN1073] [Nonflammable gas]"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	31.999	0	O2	34.1	0	-1.1	2	0	2	O=O	InChI=1S/O2/c1-2	MYMOFIZGZYHOMD-UHFFFAOYSA-N
DG01778	Acetaminophen	1983	"Acetaminophen; Paracetamol; 4-Acetamidophenol; 103-90-2; N-(4-Hydroxyphenyl)acetamide; APAP; Tylenol; Panadol; Acetaminofen; Datril; N-Acetyl-p-aminophenol; p-Hydroxyacetanilide; 4'-Hydroxyacetanilide; p-Acetamidophenol; Algotropyl; Lonarid; Naprinol; Acamol; Acenol; Anelix; Multin; p-Acetaminophenol; Abensanil; Acetagesic; Acetalgin; Clixodyne; Doliprane; Gelocatil; Injectapap; Liquagesic; Pyrinazine; Servigesic; Alvedon; Anaflon; Apamide; Dymadon; Febridol; Febrilix; Febrolin; Finimal; Homoolan; Lestemp; Paracet; Tabalgin; Tralgon; Tussapap; Valadol; Valgesic; Alpiny; Amadil; Anhiba; Calpol; Dirox; Eneril; Fendon; Hedex; Lyteca; Pacemo; Panets; Parmol; Tapar; Tempra; Paracetamolo; Biocetamol; Dolprone; Momentum; Ortensan; Paldesic; Vermidon; Banesin; Captin; Disprol; Enelfa; Neopap; Salzone; Exdol; p-Acetylaminophenol; Acetamide, N-(4-hydroxyphenyl)-; Febro-Gesic; NEBS; Paracetamolum; Dafalgan; Dolgesic; Elixodyne; Febrectal; Tempanal; Abenol; Apacet; Apadon; Cetadol; Fensum; Janupap; Minoset; Napafen; Neodol; Nobedon; Pacemol; Panodil; Parapan; Pedric; Phendon; Rounox; Suppap; Korum; Pinex; Temlo; 4-(Acetylamino)phenol; Ben-u-ron; Dial-A-Gesic; Anacin-3; Calmanticold; Codoliprane; Demogripal; Dolegrippin; Doloreduct; Dristancito; Duracetamol; Eu-Med; Grippostad; Gynospasmine; Medocodene; Paedialgon; Paracetanol; Parakapton; Pediapirin; Phenipirin; Phogoglandin; Predualito; Sanicopyrine; Scentalgyl; Sunetheton; Tachiprina; Termalgine; Treuphadol; Abrolet; Acertol; Acetamol; Acetofen; Afebrin; Afebryl; Aferadol; Algesidal; Algomol; Alpinyl; Analter; Antidol; Apitrelal; Atralidon; Babikan; Bacetamol; Cadafen; Calapol; Causalon; Cefalex; Codabrol; Codalgin; Codapane; Codicet; Codisal; Cofamol; Cosutone; Cuponol; Curadon; Custodial; Darocet; Daygrip; Deminofen; Democyl; Desfebre; Dimindol; Dolefin; Dolofugin; Dolorfug; Dolorstop; Dolotec; Dorocoff; Dularin; Durapan; Ecosetol; Excipain; Fanalgic; Farmadol; Febranine; Febrectol; Febricet; Febrinol; Fepanil; Finiweh; Fluparmol; Geluprane; Ildamol; Inalgex; Infadrops; Kataprin; Labamol; Lekadol; Lemgrip; Lupocet; Magnidol; Malidens; Maxadol; Mexalen; Minafen; Miralgin; Nealgyl; Neodolito; Neotrend; Neuridon; Nodolex; Oralgan; Oxycocet; Pacimol; Panacete; Panadeine; Panadiene; Panaleve; Panamax; Panasorbe; Panofen; Pantalgin; Paracemol; Paracenol; Paracetol; Paracin; Paracod; Paracodol; Parador; Paradrops; Paralen; Paralief; Paralink; Paralyoc; Paramol; Paramolan; Paranox; Parasedol; Parasin; Paraspen; Parcetol; Parogal; Pediatrix; Piramin; Pirinasol; Polmofen; Predimol; Prontina; Puernol; Pulmofen; Pyrigesic; Pyromed; Remedol; Rivalgyl; Rubophen; Rupemol; Sanicet; Schmerzex; Sedalito; Semolacin; Seskamol; Setakop; Setamol; Sifenol; Sinaspril; Sinedol; Stanback; Stopain; Supofen; Tazamol; Termacet; Termalgin; Termofren; Titralgan; Tricoton; Upsanol; Utragin; Veralgina; Viruflu; Vivimed; Zatinol; Abrol; Algina; Anapap; Andox; Arfen; Asetam; Asomal; Aspac; Asplin; Benmyo; Curpol; Dhamol; Dolcor; Dolko; Dresan; Dypap; Febrex; Febrin; Lemsip; Malgis; Oltyl; Paceco; Pacet; Paedol; Painex; Pamol; Panex; Parake; Paroma; Plicet; Prodol; Reliv; Scanol; Setol; Sinmol; Tiffy; Tylex; Tylol; Tymol; Verpol; Volpan; Zolben; NeoCitran; NilnOcen; Nina; RubieMol; Vips; Supadol mono; Treupel mon; Bickie-mol; Fortalidon P; Gattaphen T; Gripin Bebe; Influbene N; Lonarid Mono; Lyteca Syrup; Panadeine Co; Dymadon Co; Toximer P; Treupel N; Accu-Tap; 4-Acetaminophenol; Helon N; Malex N; Spalt N; Tylex CD; N-Acetyl-4-aminophenol; SK-Apap; Paracetamole; Conacetol; Darvocet; Empracet; Panasorb; Perfalgan; A-Per; Apamid; Ofirmev; Parelan; Prompt; Vicodin; Fevor; Freka-cetamol; Codisal Forte; Croix Blanche; Dolorol Forte; Dymadon Forte; Junior Disprol; Kinder Finimal; Liquigesic Co; Mono Praecimed; Percocet-Demi; Perdolan Mono; Rockamol Plus; Viclor Richet; Actifed Plus; Kratofin simplex; Neo-Fepramol; Paracetamol AL; Paracetamol BC; Paracetamol PB; Acetanilide, 4'-hydroxy-; Claradol Codeine; Geralgine-P; Melabon Infantil; Migraleve Yellow; Paracetamol Saar; Pyregesic-C; Anti-Algos; Para-Suppo; Pasolind N; Supramol-M; No-Febril; Panado-Co; Para-Tabs; Paracetamol Hexal; Paracetamol Raffo; Paracetamol Rosch; Paracetamol Stada; Dol-Stop; Anadin dla dzieci; p-Hydroxyphenolacetamide; Percocet-5; Cod-Acamol Forte; Contra-Schmerz P; Hy-Phen; Medinol Paediatric; Paracetamol Basics; Panado-Co Caplets; Paracetamol von ct; Pe-Tam; Paracetamol Fecofar; Paracetamol Harkley; Paracetamol Heumann; Paracetamol Nycomed; Codral Pain Relief; Paracetamol Hanseler; Paracetamol Winthrop; 4-Hydroxyacetanilide; Phenaphen W/Codeine; Spalt fur die nacht; A.F. Anacin; Capital with Codeine; Paracetamol Genericon; Anexsia; Demilets; Endecon; Intensin; Naldegesic; Propacet; Resfenol; Theraflu; Wygesic; Paracetamol Ratiopharm; Coricidin Sinus; Paracetamol Italfarmaco; Sudafed Sinus; Coricidin D; Paracetamol DC; Quiet World; Paracetamol Antipanin P; St Joseph Aspirin-Free; New Cortal for Children; INFANTS' FEVERALL; St. Joseph Fever Reducer; Midol Teen Formula; Paracetamol Dr. Schmidgall; Acetamide, N-(p-hydroxyphenyl)-; Aspirin-Free Anacin; Children's Tylenol Chewable; NCI-C55801; PCM Paracetamol Lichtenstein; Tylenol Allergy Sinus; p-(Acetylamino)phenol; Rhinex D-Lay Tablets; acetaminophene; Midol Regular Strength; Paracetamol SmithKline Beecham; Scherzatabletten Rezeptur 534; Efferalgan; Percogesic with Codeine; 4-Hydroxyanilid kyseliny octove; Bayer Select Head Cold; Bayer Select Allergy-Sinus; Bayer Select Headache Pain; Dristan Cold No Drowsiness; Prestwick_13; St Joseph Aspirin-Free for Children; UNII-362O9ITL9D; 4-acetylaminophenol; Children's Acetaminophen Elixir Drops; MFCD00002328; Children's Acetaminophen Oral Solution; Midol PM Night Time Formula; Triaminic Sore Throat Formula; p-hydroxy-acetanilid; N-(4-hydroxyphenyl)ethanamide; Bayer Select Sinus Pain Relief; Phenol, p-acetamido-; Sine-Off Sinus Medicine Caplets; CHEBI:46195; Roxicet 5/500; Tocris-1706; N-acetyl-para-aminophenol; 4-(N-Acetylamino)phenol; Acetaminophen (4-hydroxyacetanilide); Bayer Select Menstrual Multi-Symptom; Acetaco; n-acetyl-4-hydroxyaniline; St. Joseph Cold Tablets for Children; CHEMBL112; N-(4-Hydroxyphenyl)acetamide (Tylenol); N-(4-hydroxyphenyl)-acetamide; 362O9ITL9D; Aminofen; DTXSID2020006; Atasol; Duaneo; Duorol; component of Dialog; component of Dilone; Fever All; NSC-3991; component of Endecon; component of Percocet; NSC-109028; component of Phenaphen; TYL; component of Percogesic; DSSTox_CID_6; NCGC00016361-07; Acetominophen; Actamin; CAS-103-90-2; Pasolind; Redutemp; Robigesic; Valorin; Aceta Elixir; Dafalgan Codeine; Jin Gang; WLN: QR DMV1; DSSTox_RID_75318; DSSTox_GSID_20006; component of Hycomine Compound; Acetavance; Paracetamolo [Italian]; Calonal; Flexsure; Acenol (pharmaceutical); N-(4-Hydroxyphenyl)acetanilide; Drixoral Sinus; Aceta Tablets; Paracetamol [INN:BAN]; Valorin Extra; CCRIS 3; Snaplets-FR; Oraphen-PD; Phenaphen Caplets; Paracetamolum [INN-Latin]; Tylenol (caplet); Tylenol (geltab); Tylenol 8-Hour; SMR000112065; Tavist Allergy/Sinus/Headache; Dapa X-S; Drixoral Cold & Flu; HSDB 3001; SR-01000597517; EINECS 203-157-5; 222 AF; Acetaminophen [USP:JAN]; paracetamol (acetaminophen); NSC 109028; acetominophene; 4-Hydroxyanilid kyseliny octove [Czech]; Children's Acetaminophen Elixir Solution; Claratal; Daphalgan; Resprin; Apacet Capsules; Atasol Caplets; Atasol Tablets; Tempra Caplets; Tylenol Caplets; Tylenol Elixir; Tylenol Gelcaps; Tylenol Tablets; Actamin Extra; Actamin Super; Aminofen Max; ANEXSIA 10/660; Apacet Elixir; Atasol Drops; Exdol Strong; p-Acetoaminophen; Tempra Drops; Tempra Syrup; Tylenol Drops; alpha-Per; Citramon P; Excedrin Caplets; Dial-alpha-gesic; Apo-Acetaminophen; 4-acetominophenol; Genebs X-Tra; Paracetamol;Tylenol; 4-acetamido phenol; 4-acetamido-phenol; Tempra D.S; APAP, Paracetamol; p-hydroxyacetoanilide; Paracetamol (INN); Tylenol (TN); Supac (Salt/Mix); Tylox (Salt/Mix); Zydone (Salt/Mix); Atasol Forte Caplets; Atasol Forte Tablets; Atasol Oral Solution; para-acetylaminophenol; Anexsia (Salt/Mix); Endecon (Salt/Mix); Sinubid (Salt/Mix); Talacen (Salt/Mix); Vicodin (Salt/Mix); Wygesic (Salt/Mix); Acetaminophen Uniserts; Datril Extra-Strength; Tylenol Infants Drops; Demilets (Salt/Mix); Empracet (Salt/Mix); Intensin (Salt/Mix); Propacet (Salt/Mix); Suppap-120; Suppap-325; Suppap-650; Panadol Extra Strength; TheraFlu (Salt/Mix); Coricidin (Salt/Mix); Liquiprin (Salt/Mix); Hy-Phen (Salt/Mix); IV-APAP; phenol derivative, 11; Spectrum_000016; Tempra Chewable Tablets; Naldegesic (Salt/Mix); Actimol Chewable Tablets; Feverall Junior Strength; Darvocet-N (Salt/Mix); Anacin-3 Extra Strength; Liquiprin Infants' Drops; N-acetyl para aminophenol; Prestwick0_000868; Prestwick1_000868; Prestwick2_000868; Prestwick3_000868; Spectrum2_000085; Spectrum3_000283; Spectrum4_000140; Spectrum5_000736; Coricidin D (Salt/Mix); Quiet World (Salt/Mix); Genapap Children's Elixir; Tylenol Children's Elixir; 4-Acetamidophenol, 98%; Actifed Plus (Salt/Mix); Epitope ID:117710; Genapap Children's Tablets; Sudafed Sinus (Salt/Mix); EC 203-157-5; Actimol Infants' Suspension; Drixoral Sinus (Salt/Mix); Liquiprin Children's Elixir; SCHEMBL3480; Acetaminophen (JP17/USP); Coricidin Sinus (Salt/Mix); N-(4-hydroxyfenyl)ethanamid; BSPBio_000915; BSPBio_001786; DDS-06A; KBioGR_000560; KBioSS_000356; 4-13-00-01091 (Beilstein Handbook Reference); Actimol Children's Suspension; Apacet Extra Strength Caplets; Apacet Extra Strength Tablets; Aspirin-Free Excedrin Caplets; Genebs Extra Strength Caplets; MLS001146925; MLS001331684; MLS002154041; BIDD:GT0005; DivK1c_000660; SPECTRUM1500101; Genapap Extra Strength Caplets; Genapap Extra Strength Tablets; SPBio_000010; SPBio_002836; Tapanol Extra Strength Caplets; Tapanol Extra Strength Tablets; Tylenol Extra Strength Caplets; Tylenol Extra Strength Gelcaps; Tylenol Extra Strength Tablets; Actimol Junior Strength Caplets; Apacet Regular Strength Tablets; BPBio1_001007; Excedrin Extra Strength Caplets; Genebs Regular Strength Tablets; GTPL5239; Panadol Junior Strength Caplets; SGCUT00014; Tylenol Junior Strength Caplets; Midol Teen Formula (Salt/Mix); Genapap Regular Strength Tablets; Panadol Maximum Strength Caplets; Panadol Maximum Strength Tablets; SCHEMBL19474893; Tylenol Regular Strength Caplets; Tylenol Regular Strength Tablets; Aspirin-Free Anacin (Salt/Mix); BDBM26197; HMS502A22; KBio1_000660; KBio2_000356; KBio2_002924; KBio2_005492; KBio3_001286; NSC3991; Tylenol Arthritis Extended Relief; Acetaminophen, analytical standard; NINDS_000660; Tylenol Infants' Suspension Drops; BCPP000441; Drixoral Cold & Flu (Salt/Mix); HMS1570N17; HMS1920A03; HMS2091G03; HMS2097N17; HMS2269G20; HMS3268A10; "	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:46195	DB00316	DR0037	DR01006	151.16	1	C8H9NO2	49.3	139	0.5	11	2	2	CC(=O)NC1=CC=C(C=C1)O	"InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)"	RZVAJINKPMORJF-UHFFFAOYSA-N
DG01779	Arecoline	2230	"Arecoline; 63-75-2; Arecolin; Arecaline; Arecholine; Methylarecaiden; Methylarecaidin; Arekolin; Arecoline base; Arecaidine methyl ester; 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester; methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate; Methyl N-methyltetrahydronicotinate; N-Methyltetrahydronicotinic acid, methyl ester; Methyl 1,2,5,6-tetrahydro-1-methylnicotinate; UNII-4ALN5933BH; NSC 56321; methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate; Methyl N-methyl-1,2,5,6-tetrahydronicotinate; 1,2,5,6-Tetrahydro-1-methylnicotinic acid, methyl ester; NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-, METHYL ESTER; 1-Methyl-delta(sup 3,4)tetrahydro-3-pyridinecarboxylate; 4ALN5933BH; CHEBI:2814; 63-75-2 (free); 1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid methyl ester; NSC-56321; NCGC00015075-04; Arecholin; 1-Methyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid methyl ester; DSSTox_CID_2617; DSSTox_RID_76661; DSSTox_GSID_22617; N-Methyl-.delta.-tetrahydronicotinic acid methyl ester; methyl 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylate; N-Methyltetrahydropyridine-.beta.-carboxylic acid methyl ester; MLS000028840; Arecaidine methyl ester;Arecoline base;Methyl arecaidin; Methylarecaidine; NSC56321; CAS-63-75-2; CCRIS 7688; SMR000058258; EINECS 200-565-5; BRN 0123045; Methylarecaidine; arecoline;hydrobromide; Spectrum_000055; N-Methyltetrahydropyridine-beta-carboxylic acid methyl ester; Prestwick0_000402; Prestwick1_000402; Prestwick2_000402; Prestwick3_000402; Spectrum2_000051; Spectrum3_001387; Spectrum4_000810; Spectrum5_001316; Lopac-A-6134; cid_9301; CHEMBL7303; Lopac0_000049; SCHEMBL44065; BSPBio_000324; BSPBio_002974; GTPL296; KBioGR_001299; KBioSS_000435; DivK1c_000810; SPBio_000201; SPBio_002263; BPBio1_000358; MEGxp0_001891; DTXSID3022617; ACon1_002372; BDBM46858; KBio1_000810; KBio2_000435; KBio2_003003; KBio2_005571; KBio3_002194; pyranosyl)- -D-galactopyranoside; Methyl 1-methyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate; NINDS_000810; WLN: T6N CUTJ A1 CVO1; ALBB-035732; NSC56321; Tox21_110079; 7928AF; BBL036229; ZINC52541469; AKOS000520752; Tox21_110079_1; CCG-204145; DB04365; MCULE-7085698770; SB54186; SDCCGMLS-0066647.P001; SDCCGSBI-0050038.P004; IDI1_000810; NCGC00015075-01; NCGC00015075-02; NCGC00015075-03; NCGC00015075-05; NCGC00015075-06; NCGC00015075-07; NCGC00015075-10; NCGC00015075-19; NCGC00162053-01; NCGC00162053-02; NCGC00162053-03; AC-34025; CAS-300-08-3; SBI-0050038.P003; Methyl N-methyl-1,5,6-tetrahydronicotinate; N-Methyl-beta -carboxylic acid methyl ester; FT-0622470; Methyl 1,5,6-tetrahydro-1-methylnicotinate; A13071; AB00053580_08; AB00053580_09; Methyl 1,2,5, 6-tetrahydro-1-methylnicotinate; Methyl N-methyl-1,2,5, 6-tetrahydronicotinate; A820142; L000795; Q423515; n-methyltetrahydronicotinicacidmethylesterhydrobromide; SR-01000075307-9; BRD-K88646909-004-05-5; BRD-K88646909-004-06-3; BRD-K88646909-004-10-5; 1,5,6-Tetrahydro-1-methylnicotinic acid, methyl ester; Nicotinic acid,2,5,6-tetrahydro-1-methyl-, methyl ester; Methyl 1-methyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate #; 3-Pyridinecarboxylic acid,2,5,6-tetrahydro-1-methyl-, methyl ester; methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide; 1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid, methyl ester; 1-Methyl-1,2,5,6-tertrahydro-pyridine-3-carboxylicacid methyl ester; 4-Nitrophenyl 2-Acetamido-2-deoxy-(6-O-2-acetamido-2-deoxy- -D-gluco-; 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid methyl ester;hydrobromide"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:2814	DB04365	.	.	155.19	2	C8H13NO2	29.5	187	0.3	11	0	3	CN1CCC=C(C1)C(=O)OC	"InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3"	HJJPJSXJAXAIPN-UHFFFAOYSA-N
DG01780	Benzpyrene	2336	"Benzo[a]pyrene; 50-32-8; 3,4-Benzopyrene; benzo[pqr]tetraphene; BENZO(A)PYRENE; 3,4-Benzpyrene; benzo[def]chrysene; Benzpyrene; 6,7-Benzopyrene; Benz[a]pyrene; 3,4-BP; 3,4-Benz[a]pyrene; 3,4-Benzopirene; 3,4-Benzpyren; Benzo[d,e,f]chrysene; B[a]p; Benz(a)pyrene; (B(a)P); B(a)P; BP; 3,4 Benzpyrene; RCRA waste number U022; 3,4-Benz(a)pyrene; Benzo(d,e,f)chrysene; NSC 21914; Benzo[A]-Pyrene; Benzo(def)chrysene; UNII-3417WMA06D; CHEBI:29865; CHEMBL31184; 3417WMA06D; MFCD00003602; 6699-27-0; 3,4-Benzo(a)pyrene; 3,4-Benzpyren [German]; CCRIS 76; 3,4 Benzopyrene; 3,4-benzylpyrene; 3,4-Benzopirene [Italian]; HSDB 2554; Benzo[a]pyrene solution; Benzo[a]pyrene (BaP); EINECS 200-028-5; RCRA waste no. U022; Benzo(a)pyrene radical cation; AI3-50461; 3,4-Benzypyrene; Benzo(a)pyrene, radical ion(1+); Benzo(a)pyrene, radical ion(1-); Benzo[d,f]chrysene; Benzo(a)pyrene, labeled with tritium; Benzo Pyrene[BAP]; Benzo(3,4)pyrene, radical ion(1+); Spectrum_001871; Coal tar pitch volatiles: benzo(a)pyrene; SpecPlus_000953; DSSTox_CID_139; Spectrum2_001081; Spectrum3_001695; Spectrum4_000609; Spectrum5_001824; Epitope ID:117721; Benzo(a)pyrene [Polycyclic aromatic compounds]; DSSTox_RID_75392; Benzo(a)pyrene [Polycyclic aromatic hydrocarbons]; DSSTox_GSID_20139; BSPBio_003250; KBioGR_001138; KBioSS_002390; MLS002695983; BIDD:ER0497; DivK1c_007049; SPBio_001122; 3,4-Benzopyrene (carcinogen); DTXSID2020139; KBio1_001993; KBio2_002385; KBio2_004953; KBio2_007521; KBio3_002470; HMS3089C04; HMS3746C17; NSC21914; ZINC1530818; Benzo[a]pyrene, >=96% (HPLC); Tox21_200710; BDBM50137506; CCG-39759; NSC-21914; AKOS015907666; AM61580; CS-7789; MCULE-1109963029; CAS-50-32-8; WLN: L D6 B6666 2AB TJ; NCGC00178185-01; NCGC00178185-02; NCGC00258264-01; 34505-58-3; 42299-33-2; NCI60_001824; SMR000393676; SY048151; 3,4-Benzopyrene (purified by sublimation); Benzo[a]pyrene 1000 microg/mL in Acetone; DB-071166; HY-107377; B0085; Benzo[a]pyrene 10 microg/mL in Acetonitrile; FT-0614185; W6563; Benzo[a]pyrene 100 microg/mL in Acetonitrile; Benzo[a]pyrene 100 microg/mL in Cyclohexane; C07535; J10073; A828066; A828067; Benzo[a]pyrene, vial of 1 g, analytical standard; Q306051; BRD-K09668667-001-02-0; Benzo[a]pyrene, certified reference material, TraceCERT(R); UNII-0TNN3Q0D4D component FMMWHPNWAFZXNH-UHFFFAOYSA-N; Benzo[a]pyrene, analytical standard, for environmental analysis; Benzo[a]pyrene solution, 100 mug/mL in cyclohexane, analytical standard; Benzo[a]pyrene solution, certified reference material, 100 mug/mL in methylene chloride; Benzo[a]pyrene solution, certified reference material, TraceCERT(R), 1000 mug/mL in acetone; Benzo[a]pyrene solution, certified reference material, TraceCERT(R), 200 mug/mL in methylene chloride"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	DR01618	252.3	0	C20H12	0	372	6	20	0	0	C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3	InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H	FMMWHPNWAFZXNH-UHFFFAOYSA-N
DG01781	Bupivacaine	2474	"Bupivacaine; 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide; 2180-92-9; DL-Bupivacaine; Marcaine; 38396-39-3; Bupivacaina; Anekain; Sensorcaine; Carbostesin; (+-)-Bupivacaine; Bupivacainum; 1-Butyl-2',6'-pipecoloxylidide; Exparel; Bupivacainum [INN-Latin]; Bupivacaina [INN-Spanish]; dl-1-Butyl-2',6'-pipecoloxylidide; 2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-; 1-Butyl-N-(2,6-dimethylphenyl)-2-piperidinecarboxamide; AH 250; Win 11318; Bloqueina; (+/-)-Bupivacaine; 2',6'-Pipecoloxylidide, 1-butyl-; 1-butyl-N-(2,6-dimethylphenyl)-piperidine-2-carboxamide; Marcain; C18H28N2O; SKY0402; CHEBI:77431; Xaracoll; LAC-43; cBupivacaine; Bupivacaine HCL KIT; Bucaine; bupivacaine base; (R)-Bupivacaine HCl; Bucaine (TN); DUR-843; EINECS 218-553-3; EINECS 253-911-2; 14252-80-3 (HCl); 73360-54-0 (HCl.H2O); Posimir; Bupivacaine [USAN:INN:BAN]; HSDB 7790; racemic bupivacaine; (RS)-bupivacaine; Bupivacaine liposome; SKY 0402; Exparel (TN); Liposomal bupivacaine; Bupivacaine-[13C]; Spectrum_001524; (1)-1-Butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide; Bupivacaine liposome injectable suspension; Prestwick0_000305; Prestwick1_000305; Prestwick2_000305; Prestwick3_000305; Spectrum2_001589; Spectrum3_000974; Spectrum4_001098; Spectrum5_001483; (.+/-.)-1-Butyl-2',6'-pipecoloxylidide; (.+/-.)-Bupivacaine; Bupivacaine (USAN/INN); LAC-43 (Salt/Mix); Epitope ID:122662; Marcaine spinal (Salt/Mix); CHEMBL1098; SCHEMBL25438; BSPBio_000270; BSPBio_002607; KBioGR_001516; KBioSS_002004; DivK1c_000758; SPBio_001558; SPBio_002489; BPBio1_000298; CHEBI:3215; GTPL2397; LIQ865; DTXSID2022703; KBio1_000758; KBio2_002004; KBio2_004572; KBio2_007140; KBio3_001827; LIQ-865; dl-1-Butyl-2,6-pipecoloxylidide; NINDS_000758; AH250; HMS2090F12; HMS3428P06; Marcaine hydrochloride (Salt/Mix); 1217442-06-2; 3-Ethyl-2-methylbenzoxazoliumiodide; BCP12242; BCP21825; HY-B0405; SKY-0402; 2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, (+-)-; AH-250; BDBM50350790; MFCD00243007; MFCD00941462; STL484283; AKOS001637202; AKOS016842516; AC-2096; BS-5224; CS-W023182; DB00297; MCULE-2286784276; IDI1_000758; NCGC00178579-01; NCGC00178579-02; BB166160; R962; SBI-0051846.P002; 18010-40-7 (HCl); DB-119016; AB00053674; FT-0623286; FT-0660567; FT-0699781; FT-0771900; C07529; D07552; J10217; Ropivacaine hydrochloride impurity, bupivacaine-; AB00053674-08; AB00053674-09; AB00053674_10; AB00053674_11; 180B929; A873847; L000695; Q422806; Q-100271; BRD-A01636364-003-05-2; BRD-A01636364-003-08-6; 1-Butyl-N-(2,6-dimethylphenyl)-2-piperidinecarboximidic acid; (plusmn)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide; 2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, (+/-)-; 2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, (.+/-.)-; 119427-31-5"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:77431	.	.	.	288.4	5	C18H28N2O	32.299	321	3.4	21	1	2	CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C	"InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)"	LEBVLXFERQHONN-UHFFFAOYSA-N
DG01782	Ketamine	3821	"Ketamine; dl-Ketamine; Ketaject; Ketalar; CI 581 base; Special K; (+-)-Ketamine; Ketaminum; CLSTA 20; 6740-88-1; Ketanest; Ketalar base; 2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone; (+/-)-Ketamine; KETAMINE HCL; 2-(Methylamino)-2-(2-chlorophenyl)cyclohexanone; Ketolar; 2-(o-Chlorophenyl)-2-(methylamino)-cyclohexanone; NSC 70151; 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one; CHEMBL742; CHEBI:6121; Calypsol; 2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone; 2-(o-Chlorophenyl)-2-(methylamino)cyclohexanone; Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-; NSC-70151; 100477-72-3; DEA No. 7285; NCGC00159480-02; NCGC00159480-03; Cetamina; Ketamine Base; Ketamine [INN:BAN]; DSSTox_CID_3187; Ketaminum [INN-Latin]; Cetamina [INN-Spanish]; DSSTox_RID_76912; Special K [street name]; DSSTox_GSID_23187; narketan; Ketoject; Tekam; (+)-Ketamine; Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (+-)- (9CI); Ketamine (INN); PMI-150; CAS-6740-88-1; Tekam (TN); EINECS 229-804-1; (+/-)-2-(o-Chlorophenyl)-2-(methylamino)cyclohexanone; BRN 2216965; ketamina; Ursotamin; Vetaket; Anaket v; HSDB 2180; Clorketam 1000; Ketasol 100; Imalgene 1000; Ketolar (Salt/Mix); Vetalar (Salt/Mix); Kalipsol (Salt/Mix); Ketanest (Salt/Mix); Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (+-)-; (.+/-.)-Ketamine; EC 229-804-1; Cyclohexanone, (.+-.)-; SCHEMBL16103; MLS001331674; DivK1c_000217; cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-; GTPL4233; (+/-)-2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone; DTXSID8023187; SCHEMBL17084881; KBio1_000217; NINDS_000217; HMS2272G05; NSC70151; Tox21_111703; Tox21_111704; BDBM50044140; DB01221; MCULE-4905246871; IDI1_000217; SMR000238141; C07525; D08098; Q243547; 2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone #; J-505587; (.+/-.)-2-(O-Chlorophenyl)-2-(methylamino)cyclohexanone; 2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone(Ketamine); Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)- (9CI); Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (+/-)-; Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (.+/-.)-; Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (.+/-.)-; Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (+/-)- (8CI)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6121	DB01221	DR0903	DR00685	237.72	2	C13H16ClNO	29.1	269	2.2	16	1	2	CNC1(CCCCC1=O)C2=CC=CC=C2Cl	"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3"	YQEZLKZALYSWHR-UHFFFAOYSA-N
DG01783	Pioglitazone	4829	"Pioglitazone; 111025-46-8; Actos; Glustin; 105355-27-9; Zactos; Pioglitazona; Pioglitazonum; Pioglitazonum [INN-Latin]; Pioglitazona [INN-Spanish]; 5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzyl)thiazolidine-2,4-dione; Duetact; U 72107; AD-4833; 5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione; CHEBI:8228; Pioglitazone (Actos); 105390-47-4; 5-[4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl]thiazolidine-2,4-dione; Actos (TN); 5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione; 5-[4-[2-(5-ETHYL-2-PYRIDYL)ETHOXY]BENZYL]-2,4-THIAZOLIDINEDIONE; U-72107; 2,4-thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-; 5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione; MFCD00865504; Pioglitazone [BAN:INN]; Pioglitazone [INN:BAN]; Piozone; Pioglu; [( inverted exclamation markA)-5-[[4-[2-(5-ethyl-2-pyridinyl) ethoxy] phenyl] methyl]-2,4-] thiazolidinedione monohydrochlorid; pioglitazone (INN); HSDB 7322; NSC-758876; DRX-065; 5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-2,4-thiazolidinedione; SR-01000763737; Pioglitazone-[d4]; Pioglitazone- Bio-X; HS-0047; Spectrum_001623; Spectrum2_001679; Spectrum3_001002; Spectrum4_001130; Spectrum5_001480; Spectrum5_002067; SCHEMBL4121; BSPBio_002723; KBioGR_001619; KBioSS_002103; MLS006011848; SPBio_001897; GTPL2694; DTXSID3037129; KBio2_002103; KBio2_004671; KBio2_007239; KBio3_001943; HMS2089H14; HMS3651D09; HMS3712E16; HMS3884L10; Pharmakon1600-01504401; ACT02635; BCP26474; BBL029068; BDBM50103521; NSC758876; s2590; STL309607; STL373406; (+/-)-5-[p-[2-(ethyl-2-pyridyl)ethoxy]benzyl]-2,4-thiazolidinedione; AKOS015894953; AKOS022109420; AC-1021; CCG-220107; CS-1700; DB01132; MCULE-2346786634; SB17323; (+/-)-5-[[4-[2-(5-Ethyl-2-pyridinyl)-ethoxy]phenyl]methyl]-2,4-thiazolidinedione; 2,4-Thiazolidinedione, 5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)methyl)-, (+-)-; NCGC00163128-01; NCGC00163128-02; NCGC00163128-03; NCGC00163128-04; NCGC00163128-05; NCGC00163128-06; NCGC00163128-07; BP164273; HY-13956; SMR002204015; SY017473; SBI-0206791.P001; DB-027350; FT-0601906; FT-0645030; SW197561-3; C07675; D08378; J10289; AB00698454-10; AB00698454_11; AB00698454_12; AB00698454_13; 355P279; A802277; Q417765; J-002506; J-516181; SR-01000763737-5; BRD-A48430263-003-02-4; BRD-A48430263-003-06-5; 5-[4-[2-(5-ethyl-2-pyridyl) ethoxy]benzyl]-2,4-thiazolidinedione; 5-[4-[2-(5-ethyl-2-pyridyl)eth-oxy]benzyl]-2,4-thiazolidinedione; 5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-2,4thiazolidinedione; 5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzyl)-thiazolidine-2,4-dione; 5-[[4-[2-(5-Ethyl-2-pyridinyl)ethoxy]phenyl]methyl-2,4-thiazolidinedione; 5-[[4-[2-(5-ethyl-2-pyridyl)ethoxy] phenyl]methyl]-2,4-thiazolidinedione; (+/-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)methyl)-2,4-thiazolidinedione; (5S)-5-[[4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl]methyl]thiazolidine-2,4-dione;Pioglitazone; 2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]- (9CI); 2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, (+/-)-; 5-[[4-[2-[(5-ethyl-2-pyridyl)]ethoxy]phenyl]methyl]thiazolidine- 2,4-dione; 5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-4-hydroxy-1,3-thiazol-2(5H)-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8228	DB01132	.	DR00518	356.4	7	C19H20N2O3S	93.6	466	3.8	25	1	5	CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3	"InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)"	HYAFETHFCAUJAY-UHFFFAOYSA-N
DG01784	Urethane	5641	"Urethane; ETHYL CARBAMATE; 51-79-6; Urethan; Ethylurethane; Carbamic acid, ethyl ester; Carbamic acid ethyl ester; Leucethane; Pracarbamine; Ethyl urethane; Ethylcarbamate; Pracarbamin; Ethyl urethan; O-Ethylurethane; U-Compound; Aethylcarbamat; Aethylurethan; Ethylurethan; Leucothane; Estane 5703; Uretan; Uretano [DCIT]; Uretan etylowy; NSC 746; Aethylurethan [German]; Aethylcarbamat [German]; ethyl aminoformate; O-Ethyl urethane; Carbamidsaeure-aethylester; RCRA waste number U238; Ethyl ester of carbamic acid; Ethylester kyseliny karbaminove; X 41; MFCD00007966; UNII-3IN71E75Z5; A 11032; NH2COOC2H5; NSC746; CHEBI:17967; NSC-746; Urethane + ethanol (combination); 3IN71E75Z5; Aethylurethan (german); NCGC00095041-01; Aethylcarbamat (german); DSSTox_CID_1427; Urethanum [INN-Latin]; Uretan etylowy [Polish]; DSSTox_RID_76156; DSSTox_GSID_21427; Ethyl carbamate;Carbamic acid ethyl ester;Ethylurethane; Uretano; Urethanum; Carbamate, Ethyl; Carbamidsaeure-aethylester [German]; o-Ethyl carbamate; Ethyl Carbamate (Urethane); CAS-51-79-6; Urethane [INN:BAN:DCF]; CCRIS 619; Ethylester kyseliny karbaminove [Czech]; HSDB 2555; Urethane [INN:DCF]; SR-05000001854; EINECS 200-123-1; RCRA waste no. U238; AI3-00553; Urethane, INN; Spectrum_001685; Urethane, >=99%; Spectrum2_000909; Spectrum3_000965; Spectrum4_001082; Spectrum5_001651; WLN: ZVO2; BSPBio_002569; KBioGR_001464; KBioSS_002165; Urethane, analytical standard; BIDD:ER0508; DivK1c_000060; SPECTRUM1503304; SPBio_000758; CHEMBL462547; DTXSID9021427; HMS500C22; KBio1_000060; KBio2_002165; KBio2_004733; KBio2_007301; KBio3_001789; NINDS_000060; Urethane, >=99.0% (GC); HMS1922A10; HMS2093C21; HMS3885F08; Pharmakon1600-01503304; ZINC901020; HY-B1207; Tox21_111398; Tox21_201761; Tox21_300494; CCG-39905; NSC758452; s4544; STL257390; AKOS000118772; Tox21_111398_1; CS-4731; DB04827; MCULE-1776877276; NSC-758452; IDI1_000060; NCGC00095041-02; NCGC00095041-03; NCGC00095041-04; NCGC00095041-05; NCGC00095041-06; NCGC00095041-08; NCGC00254522-01; NCGC00259310-01; SBI-0051812.P002; SBI-0051812.P003; DB-052027; AM20100253; FT-0626365; FT-0675741; C01537; F21294; AB00052344_04; Q422884; SR-05000001854-1; SR-05000001854-2; BRD-K24297741-001-01-1; Carbamic acid ethyl ester;Ethyl carbamate;Ethylurethane; Z33546369; F0001-1333"	Approved	1	Discontinued Drug(s)	Discontinued	Small molecular drug	.	.	DB04827	DR1663	.	89.09	2	C3H7NO2	52.3	52.8	-0.2	6	1	2	CCOC(=O)N	"InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)"	JOYRKODLDBILNP-UHFFFAOYSA-N
DG01785	Estradiol	5757	"Estradiol; beta-Estradiol; 17beta-Estradiol; 50-28-2; Oestradiol; Dihydrofolliculin; Estrace; Ovocyclin; Vivelle; progynon; Dihydrotheelin; Dihydroxyestrin; Aquadiol; Diogynets; Gynergon; Gynoestryl; Diogyn; Oestroglandol; Aerodiol; Corpagen; Dimenformon; Estrovite; Femestral; Follicyclin; Ginosedol; Macrodiol; Oestergon; Ovahormon; Ovasterol; Ovastevol; Perlatanol; Primofol; Profoliol; Altrad; Bardiol; Climara; Divigel; Evorel; Femogen; Lamdiol; Syndiol; Vagifem; Dihydromenformon; estradiol-17beta; cis-Estradiol; Estraderm TTS; Estraderm; Estraldine; Estroclim; Trocosone; Estrogel; Menorest; Nordicol; Zumenon; Systen; D-Oestradiol; D-Estradiol; Progynon DH; Climaderm; Compudose; Dermestril; Estrasorb; Ovocycline; Encore; Estring; Menest; Oesclim; Dihydroxyoestrin; SK-Estrogens; Progynon-DH; Gynestrel; Microdiol; Oestrogynal; Ovociclina; Ovocylin; Tradelia; Estroclim 50; Innofem; Macrol; Zerella; 17beta-Oestradiol; Alora; Oestradiol R; Estring vaginal ring; Dihydrofollicular hormone; Trial SAT; Theelin, dihydro-; Elestrin; Fempatch; Gynodiol; Oestrogel; Esclim; Compudose 200; Compudose 365; Profoliol B; 17b-Oestradiol; 17-beta-estradiol; Estradiol-17-beta; Estradot; Estrogen; Gelestra; 3,17-Epidihydroxyestratriene; Zesteem; Dihydroxyesterin; cis-Oestradiol; Estraderm TTS 50; Estrogens, esterified; B-Estradiol; Epiestriol 50; 17beta oestradiol; NSC-9895; 17 beta-Estradiol; Estradiol-17 beta; Evamist; Amnestrogen; Femanest; 17.beta.-Estradiol; Estra-1,3,5(10)-triene-3,17beta-diol; 3,17-Epidihydroxyoestratriene; Sandrena 1; 17b-Estradiol; (17beta)-Estra-1,3,5(10)-triene-3,17-diol; Estraderm (TN); [3H]-estradiol; 17; A-estradiol; 17; A-Oestradiol; Estrogel (TN); Climara (TN); Divigel (TN); Estrace (TN); Estring (TN); Innofem (TN); Vagifem (TN); Vivelle (TN); 17.beta.-Oestradiol; 3,17.beta.-Estradiol; .beta.-Estradiol; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; .beta.-Oestradiol; [3H]]estradiol; UNII-4TI98Z838E; Estradiol, .beta.-; Estradiol-17.beta.; CHEBI:16469; Estra-1,3,5(10)-triene-3,17-diol (17beta)-; Oestradiol-17.beta.; ESTRADIOL HEMIHYDRATE; Oestra-1,3,5(10)-triene-3,17beta-diol; Estrasorb (TN); 17.beta.-OH-estradiol; 17.beta.-OH-oestradiol; 17beta estradiol (E2); Extrasorb; 17beta-Estra-1,3,5(10)-triene-3,17-diol; Estreva; Estrifam; Femtran; Ginedisc; CHEMBL135; GynPolar; (17beta)-estra-1(10),2,4-triene-3,17-diol; Sandrena Gel; D-3,17.beta.-Estradiol; D-3,17.beta.-Oestradiol; Sisare Gel; Estra-1,3,5(10)-triene-3,17-diol, (17beta)-; Estrofem 2; MLS000069494; 3,17b-Dihydroxyestra-1,3,5(10)-triene; Oestradiolum; Climara Forte; 4TI98Z838E; Oestradiol Berco; Estraderm MX; VIVELLE-DOT; 1,3,5-Estratriene-3,17beta-diol; [3H]E2; Oestradiol-17beta; Estrapak 50; (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol; (8R,9S,13S,14S,17S)-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol; 141290-02-0; Estradiolum [INN]; Estradiolo [DCIT]; NCGC00091544-04; Oestradiol-17-beta; Estradiolum; Estrodiolum; Estradiolo; Femestrol; SMR000059126; Estradiol-3,17beta; DSSTox_CID_573; 17-beta-OH-estradiol; 3,17-beta-Estradiol; 3,17beta-Dihydroxy-1,3,5(10)-estratriene; 3,17beta-Dihydroxyestra-1,3,5(10)-triene; 3,17-beta-Oestradiol; D-3,17beta-Estradiol; E(sub 2); DSSTox_RID_75666; Methyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate.; Benzogynestry; DSSTox_GSID_20573; Estropause; Estasorb; [2,4,6,7-3H]-E2; E 2; E2; Destradiol; Minivelle; Yuvvexy; Zesteen; .alpha.-Estradiol; 17-beta-OH-oestradiol; 17 -Estradiol; D-3,17beta-Oestradiol; D-3,17-beta-Estradiol; Estrodiolum [INN-Latin]; NSC-20293; D-3,17-beta-Oestradiol; Activella (Salt/Mix); Estradiol Anhydrous; Combipatch (Salt/Mix); CCRIS 280; component of Menrium; Estradiol-17 alpha; Climara Pro (Salt/Mix); 3,17beta-Estradiol; 3,17-.beta.-Oestradiol; Estraderm TTS 100; HSDB 3589; 3,3,5(10)-triene; SR-01000075866; 17-.BETA.-Estradiol; EINECS 200-023-8; (+)-3,17.beta.-Estradiol; 1,3,5-Estratriene-3,17-beta-diol; oestrodiol; Estradiol [USP:INN:BAN]; 3,17beta-Dihydroxyestra-1,3,5-triene; 3,17beta-Dihydroxyoestra-1,3,5-triene; Elestrim; delta-Estradiol; dihydro-Theelin; 3,17-beta-Dihydroxyoestra-1,3,5-triene; delta-Oestradiol; TX-004HR; MFCD00003693; Estra-1,3,5(10)-triene-3,17-beta-diol; Estradiol complex; Estrogel HBF; Oestra-1,3,5(10)-triene-3,17-beta-diol; 1jgl; 1lhu; 1qkt; 1qku; 3,17-beta-Dihydroxyestra-1,3,5(10)-triene; [3H]estradiol; 1,3,5-Estratriene-3,17.beta.-diol; 3,17-beta-Dihydroxy-1,3,5(10)-oestratriene; CAS-50-28-2; 17-beta-Estra-1,3,5(10)-triene-3,17-diol; 17beta-Oestra-1,3,5(10)-triene-3,17-diol; .alpha.-Oestradiol; 17-beta-Oestra-1,3,5(10)-triene-3,17-diol; Estra-1,3,5(10)-triene-3,17-diol; Prestwick_207; 17-beta-oestradiol; 3,17b-Estradiol; Bio-E-Gel; Estradiol 17-beta; Fem7; [3H]-Estrogen; 17  -Estradiol; 3,17.beta.-Dihydroxyestra-1,3,5-triene; 3,17.beta.-Dihydroxyoestra-1,3,5-triene; CMC_11154; 1,3,5,(10)-Estratrien-3,17.beta.-diol; SL-1100; Estra-1,3,5(10)-triene-3,17.beta.-diol; Oestra-1,3,5(10)-triene-3,17.beta.-diol; 17-.beta.-oestradiol; 2j7x; 3,17.beta.-Dihydroxy-1,3,5(10)-estratriene; 3,17.beta.-Dihydroxy-1,3,5(10)-oestratriene; 3,17.beta.-Dihydroxyestra-1,3,5(10)-triene; 3,3,5-triene; [3H]17beta-estradiol; (17 )-Estra-1,3,5(10)-triene-3,17-diol; 17.beta.-Estra-1,3,5(10)-triene-3,17-diol; 17.beta.-Oestra-1,3,5(10)-triene-3,17-diol; Opera_ID_1688; Prestwick0_000441; Prestwick1_000441; Prestwick2_000441; Prestwick3_000441; Spectrum5_002055; 17beta-estradiol (E2); alpha-estradiol (obsolete); beta-Estradiol, >=98%; bmse000642; Epitope ID:136018; (+)-3,17b-Estradiol; E 8875; EC 200-023-8; SCHEMBL8049; (+)-3,17beta-Estradiol; Estradiol (JAN/USP/INN); Tritiated estradiol-17-beta; BIDD:PXR0065; Lopac0_000503; S-21400; BSPBio_000482; BSPBio_001065; KBioGR_000405; KBioGR_002269; KBioSS_000405; KBioSS_002270; Oestradiol-17beta and esters; MLS000758312; MLS001076331; MLS001424022; BIDD:ER0125; Oestradiol-17beta and esters [Steroidal oestrogens]; SPBio_002421; BPBio1_000532; GTPL1012; GTPL1013; DTXSID0020573; Estradiol valerate metabolite e2; NIOSH/KG7030000; BDBM17292; KBio2_000405; KBio2_002269; KBio2_002973; KBio2_004837; KBio2_005541; KBio2_007405; KBio3_000769; KBio3_000770; KBio3_002749; AOB5963; NSC9895; 1a52; 1g50; 2d06; cMAP_000005; Bio1_000403; Bio1_000892; Bio1_001381; Bio2_000363; Bio2_000843; HMS1362E07; HMS1569I04; HMS1792E07; HMS1990E07; HMS2051C17; HMS2090E18; HMS2096I04; HMS2236H04; HMS3261F07; HMS3403E07; HMS3713I04; HMS3884A08; beta-Estradiol, analytical standard; (8S,9S,13S,14S,17S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; BCP08579; HY-B0141; Tox21_111148; Tox21_202057; Tox21_300288; Tox21_500503; 1,5-Estratriene-3,17.beta.-diol; LMST02010001; s1709; WC3011; ZINC13520815; Estradiol-17-beta-6,7-(sup 3)H; [2,4,6,7-3H]-17beta-estradiol; AKOS015896570; CCG-100808; CS-1938; DB00783; LP00503; NC00058; SDCCGSBI-0050487.P002; WC-3011; IDI1_002118; SMP1_000121; NCGC00091544-00; NCGC00091544-01; NCGC00091544-02; NCGC00091544-05; NCGC00091544-06; NCGC00091544-07; NCGC00091544-09; NCGC00091544-10; NCGC00091544-11; NCGC00091544-12; NCGC00091544-13; NCGC00091544-14; NCGC00091544-15; NCGC00091544-16; NCGC00091544-18; NCGC00091544-27; NCGC00179321-01; NCGC00179321-02; NCGC00254177-01; NCGC00259606-01; NCGC00261188-01; 17-E; AC-22346; AS-13729; CPD000059126; H061; Estra-1,3,5(10)-triene-3,17b-diol; Oestra-1,3,5(10)-triene-3,17b-diol; WLN: L E5 B666TTT&J E1 FQ OQ; Estra-1,5(10)-triene-3,17.beta.-diol; Estradiol, meets USP testing specifications; 3,17beta-dihydroxyestra-1,3,5(10)-trien; EU-0100503; KG70300000; Oestra-1,5(10)-triene-3,17.beta.-diol; C00951; D00105; J10189; (17b)-Estra-1,3,5(10)-triene-3,17-diol; 13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol; 17-decahydrocyclopenta[a]phenanthrene-3,17-diol; 17.beta.-Estra-1,5(10)-triene-3,17-diol; 17.beta.-Oestra-1,5(10)-triene-3,17-diol; 003E693; 17-beta-Estradiol 100 microg/mL in Acetonitrile; Q422416; SR-01000721892; 13beta-Methyl-1,3,5(10)-gonatriene-3,17beta-ol; Estra-1,5(10)-triene-3,17-diol (17.beta.)-; Q-201503; SR-01000075866-1; SR-01000075866-4; SR-01000721892-3; BRD-K18910433-001-04-4; BRD-K18910433-001-43-2; estra-1(10),2,4-triene-3,17-diol, (17beta)-; Estra-1,5(10)-triene-3,17-diol, (17.beta.)-; Z1847670481; B8B5AEF5-4957-49EB-A14F-444A8212C482; beta-Estradiol, BioReagent, powder, suitable for cell culture; Estradiol, United States Pharmacopeia (USP) Reference Standard; beta-Estradiol, powder, gamma-irradiated, suitable for cell culture; Estra-1,3,5(10)-triene-3,17-diol, (6,7-(sup 3)H,17-beta)-; (9beta,13alpha,14beta,17alpha)-estra-1,3,5(10)-triene-3,17-diol; Estradiol, Pharmaceutical Secondary Standard; Certified Reference Material; (13S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-beta-diol; (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadeca-2,4,6-triene-5,14-diol; 17beta-Estradiol solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16469	.	DR0007	DR00129	272.4	0	C18H24O2	40.5	382	4	20	2	2	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O	"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1"	VOXZDWNPVJITMN-ZBRFXRBCSA-N
DG01786	D-Glucose	5793	"D-Glc; D-Glucopyranose; D-Glucopyranoside; D-Glucose; Glc; Glucopyranose; Glucopyranoside; Glucose; 2280-44-6; Grape sugar; D-Glcp; Traubenzucker; Glucose solution; (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; Dextrose solution; CHEBI:4167; Corn sugar; Glucopyranose, D-; (3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol; DSSTox_CID_2910; Glucodin; Goldsugar; Meritose; 54-17-1; Vadex; Clintose L; CPC hydrate; Roferose ST; Glucose Anhydrous; a-D-Glucose; Clearsweet 95; Staleydex 95M; Staleydex 111; (+)-Glucose; Cerelose 2001; rel-(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol; Tabfine 097(HS); 2h-pyran-2,3,4,5-tetraol; D-Glucopyranose, anhydrous; Liquid glucose; glc-ring; anhydrous glucose; Cartose Cerelose; D-aGlucopyranose; D-glucose-ring; Glucose injection; Glucose 40; Staleydex 130; EINECS 218-914-5; Glc-OH; Meritose 200; nchembio867-comp4; Dextrose, unspecified; Glucose (JP17); starbld0000491; 6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetraol; Anhydrous Glucose ,(S); Glucose, unspecified form; Dextrose, unspecified form; Purified glucose (JP17); Epitope ID:142342; D-(+)-DEXTROSE; DSSTox_RID_76784; DSSTox_RID_82925; DSSTox_GSID_22910; DSSTox_GSID_48729; GTPL4536; CHEMBL1222250; BDBM34103; DTXSID501015215; DTXSID901015217; Tox21_113165; Tox21_200145; AKOS025147374; NSC 287045; CAS-50-99-7; NCGC00166293-01; NCGC00257699-01; BS-48662; CAS-58367-01-4; G0048; (3R,4S,5S,6R)-6-(hydroxymethyl)tetrahydro-; C00031; D00009; Q37525; Q23905964; N_FULL/O_FULL_10000000000000_GS_656; D-glucose (closed ring structure, complete stereochemistry); WURCS=2.0/1,1,0/[a2122h-1x_1-5]/1/"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:4167	DB01914	DR2081	DR00165	180.16	1	C6H12O6	110	151	-2.6	12	5	6	C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O	"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6 /m1/s1"	WQZGKKKJIJFFOK-GASJEMHNSA-N
DG01787	Carbon tetrachloride	5943	"CARBON TETRACHLORIDE; Tetrachloromethane; 56-23-5; Perchloromethane; Tetrasol; Vermoestricid; Benzinoform; Necatorine; Tetrafinol; Carbona; Univerm; Methane, tetrachloro-; Carbon tet; Methane tetrachloride; Flukoids; Necatorina; Tetraform; Carbon chloride; Tetrachlormethan; Tetrachloormetaan; Tetrachlorocarbon; Freon 10; carbontetrachloride; CCl4; Tetraclorometano; Tetrachloorkoolstof; Czterochlorek wegla; Halon 1040; Carbon chloride (CCl4); Chlorid uhlicity; R 10 (Refrigerant); Tetrachlorure de carbone; Tetracloruro di carbonio; Refrigerant R10; tetrachloro-methane; RCRA waste number U211; Tetrachlorkohlenstoff, tetra; HSDB 53; ENT 4,705; Thawpit; Tetra; R 10; UNII-CL2T97X0V0; ENT 27164; NSC 97063; CHEBI:27385; Halon 104; CL2T97X0V0; MFCD00000785; NCGC00091016-02; DSSTox_CID_250; DSSTox_RID_75464; DSSTox_GSID_20250; Caswell No. 164; CC m0; Chlorid uhlicity [Czech]; Tetrachlormethan [German]; Tetraclorometano [Italian]; Tetrachloorkoolstof [Dutch]; CAS-56-23-5; Carbon tetrachloride, analytical standard; Czterochlorek wegla [Polish]; CCRIS 123; Kohlenstofftetrachlorid; Carbon tetrachloride [BSI:ISO]; Tetrachlorure de carbone [French]; Tetracloruro di carbonio [Italian]; EINECS 200-262-8; UN1846; Tetrachlorkohlenstoff, tetra [German]; RCRA waste no. U211; EPA Pesticide Chemical Code 016501; Tetrachlorure de carbone [ISO-French]; Benzenoform; Katharin; Seretin; perchorormethane; tetrachorocarbon; tetrachlormethane; AI3-04705; Carbon chloride ; tetrachloridocarbon; carbon tetracloride; tetra-chloromethane; tetrachloro methane; carbon tetrachioride; carbon-tetrachloride; F10; Tetrachlorkohlenstoff; carbon tetra-chloride; Cl4C; carbon tetra- chloride; Tetrachloromethane, 9CI; WLN: GXGGG; Carbon tetrachloride [NF]; EC 200-262-8; Carbon tetrachloride, 99%; CHEMBL44814; SCHEMBL2466909; DTXSID8020250; NSC97063; ZINC8214515; Tox21_111057; Tox21_200039; BDBM50237610; NSC-97063; AKOS015903411; UN 1846; NCGC00091016-01; NCGC00091016-03; NCGC00091016-04; NCGC00257593-01; Carbon tetrachloride (1mg/ml in methanol); Carbon tetrachloride [UN1846] [Poison]; Carbon tetrachloride, anhydrous, >=99.5%; Carbon tetrachloride, for HPLC, >=99.9%; Carbon tetrachloride, reagent grade, 99.9%; Tetrachloromethane 100 microg/mL in Methanol; C07561; Carbon tetrachloride 100 microg/mL in Methanol; Carbon tetrachloride 5000 microg/mL in Methanol; L023972; Q225045; BRD-K24169676-001-01-1; F0001-1467"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:27385	.	.	.	153.8	0	CCl4	0	19.1	2.8	5	0	0	C(Cl)(Cl)(Cl)Cl	"InChI=1S/CCl4/c2-1(3,4)5"	VZGDMQKNWNREIO-UHFFFAOYSA-N
DG01788	Medroxyprogesterone acetate	6279	"Medroxyprogesterone acetate; Medroxyprogesterone 17-acetate; 71-58-9; Provera; Metigestrona; Farlutin; Gestapuran; Perlutex; Veramix; Methylacetoxyprogesterone; Medroxyacetate progesterone; Depo-Provera; Depcorlutin; Deporone; Lutopolar; Nadigest; Prodasone; Progestalfa; Progevera; Proverone; Repromix; Sirprogen; Supprestral; Lutoral; Nidaxin; Oragest; Depo-Promone; Promone-E; 6-alpha-Methyl-17-alpha-acetoxyprogesterone; Medroxyprogesteroneacetate; NSC-26386; 6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate; 17alpha-Hydroxy-6alpha-methylprogesterone acetate; 6alpha-Methyl-17alpha-hydroxyprogesterone acetate; Amen; 6alpha-Methyl-4-pregnene-3,20-dion-17alpha-ol acetate; Depot medroxyprogesterone acetate; Depot-medroxyprogesterone acetate; UNII-C2QI4IOI2G; DP150; Pregn-4-ene-3,20-dione, 17-(acetyloxy)-6-methyl-, (6alpha)-; 17-Acetoxy-6alpha-methylprogesterone; Aragest; Clinovir; Ralovera; 6alpha-Methyl-17-acetoxy progesterone; Hysron; Provera dosepak; Depo-clinovir; Depo-Ralovera; (6alpha)-6-methyl-3,20-dioxopregn-4-en-17-yl acetate; U 8839; C2QI4IOI2G; Medroxyprogesterone (acetate); Medroxyprogesterone-17-acetate; MLS000069442; (6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-dione; CHEBI:6716; ONCO-Provera; NSC-21171; Medrosterona; Clinofem; Cykrina; Depocon; Indivina; Mepastat; Meprate; Repromap; SMR000059125; Sumiferm; Suprestral; Veraplex; Dugen; Pregn-4-ene-3,20-dione, 17-(acetyloxy)-6-methyl-, (6a)-; Depo-progestin; Depo-Prodasone; Depo-Progevera; Perlutex Leo; DSSTox_CID_5527; Depo-Map; Aragest 5; Med-Pro; MPA-beta; DSSTox_RID_77819; MPA Hexal; MPA-Noury; DSSTox_GSID_25527; [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate; MAP (steroid); 17alpha-Acetoxy-6alpha-methylprogesterone; Depomedroxyprogesterone acetate; MPA GYM; Depo-Medroxyprogesterone acetate; Depo-subq provera; CAS-71-58-9; CCRIS 371; 17.alpha.-Acetoxy-6.alpha.-methylprogesterone; EINECS 200-757-9; 6alpha-Methyl-17-acetoxyprogesterone; NSC 21171; Depo-Provera Contraceptive; 17-Acetoxy-6-alpha-methylprogesterone; (6.alpha.-Pregn-4-ene-3, 17-(acetyloxy)-6-methyl-; 17.alpha.-Hydroxy-6-.alpha.-methylprogesterone acetate; Pregn-4-ene-3, 17-hydroxy-6.alpha.-methyl-, acetate; 6-alpha-Methyl-17-acetoxy progesterone; BRN 2066112; Pregn-4-ene-3, 17-(acetyloxy)-6-methyl-, (6.alpha.)-; AI3-60127; 17-Acetoxy-6.alpha.-methylprogesterone; 6.alpha.-Methyl-17-acetoxyprogesterone; Farlutal inyectable; NCGC00094713-01; 17alpha-Hydroxy-6-alpha-methylprogesterone acetate; Progesterone, 17-hydroxy-6alpha-methyl-, acetate; 17-alpha-Hydroxy-6-alpha-methylprogesterone acetate; Provera (TN); Depo-provera (TN); 6alpha-Methyl-17alpha-acetoxypregn-4-ene-3,20-dione; Medroxyprogesterone acetate [USP:JAN]; 17-alpha-Acetoxy-6-alpha-methylpregn-4-ene-3,20-dione; 17alpha-Acetoxy-6-alpha-methylpregn-4-ene-3,20-dione; 6-alpha-Methyl-17-alpha-acetoxypregn-4-ene-3,20-dione; Progesterone, 17-alpha-hydroxy-6-alpha-methyl-, acetate; Medroxyprogesterone acetate [Progestins]; 6-alpha-Methyl-4-pregnene-3,20-dion-17-alpha-ol acetate; 6.alpha.-Methyl-17.alpha.-acetoxyprogesterone; (6-alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-dione; 17alpha-Hydroxy-6alpha-methylpregn-4-ene-3,20-dione acetate; 6alpha-Pregn-4-ene-3,20-dione, 17-(acetyloxy)-6-methyl-; CPD000653524; 17-alpha-Hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate; Medroxyprogesteroni acetas; Opera_ID_1110; medroxyprogesterone-acetate; 17.alpha.-Hydroxy-6.alpha.-methylprogesterone acetate; 6.alpha.-Methyl-17.alpha.-hydroxyprogesterone acetate; Medroxiprogesterone Acetate; CHEMBL717; SCHEMBL4276; 6.alpha.-Methyl-17.alpha.-acetoxypregn-4-ene-3,20-dione; 17.alpha.-Acetoxy-6-.alpha.-methylpregn-4-ene-3,20-dione; 4-08-00-02212 (Beilstein Handbook Reference); 6.alpha.-Methyl-4-pregnene-3,20-dion-17.alpha.-ol acetate; MLS001148217; MLS002207115; 17.alpha.-Hydroxy-6.alpha.-methylpregn-4-ene-3,20-dione acetate; Depo-subq provera 104 (TN); DTXSID0025527; G03AC06; HMS2233O07; HMS2235E05; HMS3259O14; HMS3884B10; (6-alpha)-Pregn-4-ene-3,20-dione, 17-(acetyloxy)-6-methyl-; (6S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6,10,13-trimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate; CBP-1011; HY-B0469; NSC21171; NSC26386; ZINC5029557; Tox21_111319; Tox21_200141; BDBM50067678; s2567; AKOS015894870; Tox21_111319_1; AC-2174; CCG-264965; DB00603; NC00574; Medroxyprogesterone acetate (JP17/USP); MRF-0000023; NCGC00022037-03; NCGC00022037-04; NCGC00022037-05; NCGC00022037-07; NCGC00257695-01; NCGC00263480-01; AS-13981; I028; SMR000653524; TV-46046; C08150; C76275; D00951; AB00384270-14; AB00384270_15; Medroxyprogesterone 17-acetate, >=97% (HPLC); 010M483; Q2823834; (6 )-6-Methyl-3,20-dioxopregn-4-en-17-yl acetate; 6.alpha.-Pregn-4-ene-3, 17-(acetyloxy)-6-methyl-; Medroxyprogesterone-17-acetate 100 microg/mL in Acetonitrile; Medroxyprogesterone 17-acetate, VETRANAL(TM), analytical standard; Medroxyprogesterone acetate, European Pharmacopoeia (EP) Reference Standard; Pregn-4-ene-3,20-dione, 17-hydroxy-6alpha-methyl-, acetate (8CI); Medroxyprogesterone Acetate, Pharmaceutical Secondary Standard; Certified Reference Material; Medroxyprogesterone acetate, United States Pharmacopeia (USP) Reference Standard; Medroxyprogesterone acetate for peak identification, European Pharmacopoeia (EP) Reference Standard; Medroxyprogesterone acetate for system suitability, European Pharmacopoeia (EP) Reference Standard; Medroxyprogesterone acetate, for performance test, European Pharmacopoeia (EP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00603	DR1012	.	386.5	3	C24H34O4	60.4	767	4.1	28	0	4	C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C	"InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1"	PSGAAPLEWMOORI-PEINSRQWSA-N
DG01789	Rotenone	6758	"Rotenone; 83-79-4; Dactinol; Paraderil; Barbasco; (-)-Rotenone; Tubatoxin; Derrin; (-)-cis-Rotenone; Rotocide; Derris; Rotenon; Cube root; Nicouline; Noxfish; Ronone; Canex; Deril; Liquid Derris; Cube-Pulver; Dri-Kil; Rotessenol; Noxfire; Rotefive; Rotefour; Rotenox; Cubor; Extrax; Haiari; Mexide; Cube extract; Derris root; Powder and root; Chem-Mite; Pro-nox fish; Fish-Tox; Cenol garden dust; Curex flea duster; Prenfish; Tubotoxin; Gerane; Prentox; Ro-Ko; Synpren; Derris (insecticide); Chem fish; Pb-nox; Rotenox 5EC; 5'-beta-Rotenone; Green Cross Warble Powder; Chem-Fish Synergized; Prentox Synpren-Fish; Caswell No. 725; Rotenone, dehydro; Foliafume E.C.; ENT 133; Rotenone, commercial; CCRIS 895; HSDB 1762; NCI-C55210; 5'beta-Rotenone; EPA Pesticide Chemical Code 071003; UNII-03L9OT429T; AI3-00133; NSC26258; Rotenona; Derris resins; MLS000738056; CHEMBL429023; CHEBI:28201; 03L9OT429T; Rotacide E.C.; CUBE; (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-alpha-isopropenyl-8,9-dimethoxy-; (12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one; (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one; (2R-(2alpha,6aalpha,12aalpha))-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)(1)benzopyrano(3,4-b)furo(2,3-h)benzopyran-6(6aH)-one; 1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one; 1,2,12,12aalpha-Tetrahydro-2a-isopropenyl-8,9-dimethoxy(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one; NCGC00017358-05; Nekoe; DSSTox_CID_1248; DSSTox_RID_76038; DSSTox_GSID_21248; (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2R-(2alpha,6aalpha,12aalpha))-; (1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one; (2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-one; (2R,6aS,12aS)-8,9-Dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one; [2R-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6aH)-one; Rotenona [Spanish]; Rotenone [BSI:ISO]; Protax; MFCD09025614; 5'.beta.-Rotenone; CAS-83-79-4; (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2R,6aS,12aS)-; (2R,6aS,12aS)-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one; (2R,6aS,12aS)-1,2,6,6a,12,12a- hexahydro-2-isopropenyl-8,9- dimethoxychromeno[3,4-b] furo(2,3-h)chromen-6-one; (2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno(3,4-b)furo(2,3-h)chromen-6-one; (2R,6aS,12aS)-2-isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one; [1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2R,6aS,12aS)-; SR-01000076110; EINECS 201-501-9; NSC 26258; Rotenoid; Roteonone; WLN: T G5 D6 B666 CV HO MO POT&TT&J IY1&U1 SO1 TO1; 5''beta-rotenone; 5'b-Rotenone; Rotocide E.C.; (1)Benzopyrano[3,3-h](1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-.alpha.-iospropenyl-8,9-dimethoxy-; [1]Benzopyrano[3,3-h][1]benzopyran-6(6a.alpha.H)-one, 1,2,12,12a.alpha.-tetrahydro-2.alpha.-isopropenyl-8,9-dimethoxy-; [1]Benzopyrano[3,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2R-(2.alpha.,6a.alpha.,12a.alpha.)]-; [1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2R-(2alpha,6aalpha,12aalpha)]-; Derris, JMAF; Prestwick_542; Rotenone (7CI); Rotenone, >=95%; Spectrum_000065; Spectrum2_000457; Spectrum3_000158; Spectrum4_001638; Spectrum5_000455; Lopac0_001112; SCHEMBL42253; BSPBio_001896; isopropenyl(dimethoxy)[ ]one; KBioGR_002075; KBioSS_000465; SPECTRUM200013; (2R-(6aalpha,12aalpha)-1,2-Dihydro-2-isopropenyl-8,9-dimethoxychromano(3,4-b)furo(2,3-h)chroman-6-on; DivK1c_000947; SPBio_000534; DTXSID6021248; HMS502P09; KBio1_000947; KBio2_000465; KBio2_003033; KBio2_005601; KBio3_001116; inhibits NADH2 oxidation to NAD; NSC8505; NINDS_000947; HMS3263O06; 12679-58-2; BCP07278; HY-B1756; NSC-8505; TNP00301; ZINC3860715; Tox21_110819; Tox21_201904; Tox21_300695; Tox21_501112; 2901AC; BDBM50135527; CCG-39886; LMPK12060007; NSC-26258; AKOS004910398; Tox21_110819_1; CS-6067; DB11457; LP01112; MCULE-7287067191; MCULE-7415617623; SDCCGMLS-0066415.P001; SDCCGSBI-0051081.P003; IDI1_000947; Rotenone 100 microg/mL in Acetonitrile; NCGC00017358-01; NCGC00017358-02; NCGC00017358-03; NCGC00017358-04; NCGC00017358-06; NCGC00017358-07; NCGC00017358-08; NCGC00017358-09; NCGC00017358-10; NCGC00017358-11; NCGC00017358-14; NCGC00017358-15; NCGC00017358-22; NCGC00094382-01; NCGC00094382-02; NCGC00094382-03; NCGC00094382-04; NCGC00094382-05; NCGC00254603-01; NCGC00259453-01; NCGC00261797-01; AC-31290; AS-10183; NCI60_002093; SMR000393729; EU-0101112; R0090; Rotenone, PESTANAL(R), analytical standard; C07593; R 8875; 599T610; Q412388; SR-01000076110-2; SR-01000076110-5; SR-01000076110-6; W-104134; BRD-K08316444-001-01-9; BRD-K08316444-001-05-0; (2R-(6aalpha,12aalpha)-1,2-Dihydro-2-isopropenyl-8,9-dimethoxychromano(3,4-b)furo(2,3-h)chroman-6-one; [1]Benzopyrano[3,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-.alpha.-isopropenyl-8,9-dimethoxy-; [1]Benzopyrano[3,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-isopropenyl-8,9-dimethoxy-; [1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aalphaH)-one, 1,2,12,12aalpha-tetrahydro-2alpha-isopropenyl-8,9-dimethoxy- (8CI); [1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2R,6aS,12aS)- (9CI); 1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 9CI; Tubatoxin 1,2,12,12a,-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]-benzopyran-6(6aH)-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28201	DB11457	.	.	394.4	3	C23H22O6	63.2	664	4.1	29	0	6	CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	"InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1"	JUVIOZPCNVVQFO-HBGVWJBISA-N
DG01790	Picric acid	6954	"PICRIC ACID; 2,4,6-Trinitrophenol; Trinitrophenol; 88-89-1; Acide picrique; Carbazotic acid; Picronitric acid; Melinite; Phenol trinitrate; Picral; Nitroxanthic acid; Pikrinsaeure; Phenol, 2,4,6-trinitro-; Pikrinezuur; Acido picrico; Pikrynowy kwas; 2-Hydroxy-1,3,5-trinitrobenzene; Kyselina pikrova; 1,3,5-Trinitrophenol; C.I. 10305; 2,4,6-Trinitrofenol; 2,4,6-Trinitrofenolo; 2,4,6-Trinitrophenyl; UNII-A49OS0F91S; NSC 36947; CI 10305; A49OS0F91S; CHEBI:46149; Picric acid, dry; Picric acid, wet; 2,6-Trinitrofenol; Pertite; Picric acid (dry); Picric acid (wet); 1,5-Trinitrophenol; 2,6-Trinitrofenolo; 2,6-Trinitrophenol; Phenol,4,6-trinitro-; Phenoltrinitrate; Acidum picrinicum; WLN: WNR BQ CNW ENW; 2-Hydroxy-1,5-trinitrobenzene; Pikrinezuur [Dutch]; Pikrinsaeure [German]; Picricum acidum; Acide picrique [French]; Acido picrico [Italian]; Pikrynowy kwas [Polish]; Kyselina pikrova [Czech]; 2,4,6-Trinitrophenol (Picric Acid); CCRIS 3106; Trinitrophenol [NF]; 2,4,6-Trinitrofenol [Dutch]; HSDB 2040; 2,4,6-Trinitrofenolo [Italian]; EINECS 201-865-9; NA1344; UN0154; UN1344; Reflorit; AI3-15403; Hager's reagent; Picric acid solution; Picric acid, p.a.; Lyddite (Salt/Mix); Ecrasite (Salt/Mix); Schimose (Salt/Mix); SCHEMBL8745; NA 1344 (Salt/Mix); UN 1344 (Salt/Mix); CHEMBL108541; DTXSID4025909; Picric acid, dry or wetted with < 30% water, by mass; SCHEMBL14419782; BDBM34612; cid_3241713; Trinitrophenol, dry or wetted with < 30% water, by mass; NSC36947; NSC56147; ZINC1883067; 3-Hydroxy-2,4,6-trinitrobenzenide; NSC-36947; NSC-56147; STL199171; ZINC71129432; AKOS008966816; DB03651; MCULE-8917344355; UN 0154; Picric acid, wet, with not <10% water; DB-057108; Picric acid, moistened with water, >=98%; FT-0609916; Picric acid, SAJ special grade, >=99.5%; 2-methylbenzo[g][1,3]benzoxazole;picric acid; Picric acid solution, 0.9-1.1% (alkalimetric); Picric acid solution, 1.3% in H2O (saturated); A842990; Q189298; SR-01000944524; 1-methyl-3,4-dihydro-2H-beta-carboline;picric acid; 2,4,6-Trinitrophenol 10 microg/mL in Acetonitrile; SR-01000944524-1; 2,4,6-Trinitrophenol 100 microg/mL in Acetonitrile; Trinitrophenol, wetted with not <30% water, by mass; 2-methylbenzo[g][1,3]benzoxazole;2,4,6-trinitrophenol; Picric acid solution, ~1.3% in H2O, solution (saturated aqueous); Picric acid, wet, with not <10% water [NA1344] [Flammable solid]; Trinitrophenol or picric acid, dry or wetted with <30% water, by mass; Picric acid solution, 100 mug/mL in acetonitrile, PESTANAL(R), analytical standard; Picric acid, purum, moistened with >=40% water, >=98.0% (calc. on dry substance, T); Trinitrophenol, wetted with not <30% water, by mass [UN1344] [Flammable solid]; Trinitrophenol or picric acid, dry or wetted with <30% water, by mass [UN0154] [Explosive 1.1D]"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	229.1	0	C6H3N3O7	158	292	0.9	16	1	7	C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]	"InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H"	OXNIZHLAWKMVMX-UHFFFAOYSA-N
DG01791	Glycidyl methacrylate	7837	"GLYCIDYL METHACRYLATE; 106-91-2; 2,3-Epoxypropyl methacrylate; Glycidol methacrylate; SY-Monomer G; oxiran-2-ylmethyl 2-methylprop-2-enoate; Blemmer G; Blemmer GMA; Light Ester G; oxiran-2-ylmethyl methacrylate; glycidylmethacrylate; 2-((Methacryloxy)methyl)oxirane; Methacrylic acid, 2,3-epoxypropyl ester; Glycidyl alpha-methylacrylate; 2-Propenoic acid, 2-methyl-, oxiranylmethyl ester; CP 105; NSC 24156; Methacrylic Acid Glycidyl Ester; Polyglycidyl methacrylate; poly(glycidyl methacrylate); 1-Propanol, 2,3-epoxy-, methacrylate; Glycidyl methacrylate(GMA); 2,3-Epoxypropanol methacrylate; Glycidyl .alpha.-methylacrylate; DTXSID0025361; Acriester G; NSC24156; NSC-24156; (oxiran-2-yl)methyl 2-methylprop-2-enoate; Glycidyl Methacrylate (stabilized with MEHQ); DSSTox_CID_5361; 25067-05-4; DSSTox_RID_77762; DSSTox_GSID_25361; GMA; 2-Propenoic acid, 2-methyl-, 2-oxiranylmethyl ester; oxiran-2-ylmethyl 2-methylacrylate; Methacrylic acid,3-epoxypropyl ester; MFCD00005137; WLN: T3OTJ B1OVY1 & U1; CAS-106-91-2; Glycidyl alpha-methyl acrylate; CCRIS 2626; HSDB 494; EINECS 203-441-9; SR 379; 2,3-Epoxypropyl methacrylic acid ester; BRN 0002506; Acryester G; glycidyl-methacrylate; 2-Propenoic acid, 2-methyl-, oxiranylmethyl ester, homopolymer; methacrylic acid glycidyl; EC 203-441-9; NCIOpen2_000036; SCHEMBL15617; 5-17-03-00035 (Beilstein Handbook Reference); methacrylic acid-glycidyl ester; CHEMBL1333073; CHEBI:132844; NSC67195; Tox21_201494; Tox21_303145; 2-Oxiranylmethyl 2-methylacrylate #; BBL010914; NSC-67195; SR-379; STK801798; AKOS000276065; AKOS016041668; MCULE-2297059991; Methacrylic acid 2,3-epoxypropyl ester; Glycidyl methacrylate, >=97.0% (GC); NCGC00091055-01; NCGC00091055-02; NCGC00256974-01; NCGC00259045-01; VS-02747; 2-methyl-acrylic acid oxiranylmethyl ester; CS-0063449; Epoxypropyl methacrylate,5 cp(25 degrees c); FT-0609742; M0590; Glycidyl Methacrylate, (stabilized with MEHQ); 2-methyl-acrylic acid oxiran-2-yl-methyl ester; E75837; Glycidyl methacrylate, purum, >=97.0% (GC); A801532; Q2013175; W-108764; Methacrylic Acid Glycidyl Ester (stabilized with MEHQ); Glycidyl methacrylate, stab. with 100ppm 4-methoxyphenol; 2-Propenoic acid, 2-methyl-, 2-oxiranylmethyl ester, homopolymer; Glycidyl methacrylate, 97%, contains 100 ppm monomethyl ether hydroquinone as inhibitor"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	142.15	4	C7H10O3	38.8	162	0.8	10	0	3	CC(=C)C(=O)OCC1CO1	"InChI=1S/C7H10O3/c1-5(2)7(8)10-4-6-3-9-6/h6H,1,3-4H2,2H3"	VOZRXNHHFUQHIL-UHFFFAOYSA-N
DG01792	1-Dodecene	8183	"1-DODECENE; Dodec-1-ene; 112-41-4; DODECENE; Adacene 12; n-Dodec-1-ene; Dodecene-1; Dodecylene; alpha-Dodecene; alpha-Dodecylene; .alpha.-Dodecene; UNII-WYE669F3GR; 25378-22-7; NSC 12016; .alpha.-Dodecylene; Neodene 12; Dodecylene .alpha.-; 1-Dodecene, dimer; MFCD00008961; WYE669F3GR; CHEBI:89713; 1-Dodecene, 95%; DSSTox_CID_6914; DSSTox_RID_78251; DSSTox_GSID_26914; 62132-67-6; N-Dodec-1-Ene A-Dodecylene; CAS-112-41-4; HSDB 1076; EINECS 203-968-4; Propene, polymers, tetramer; n-dodecene; 1-dodecen; HSDB 2793; dodec-11-ene; EINECS 246-922-9; Tetrapropylene (petroleum); EC 203-968-4; EC 246-922-9; 1-Dodecene (standard material); 1-Dodecene, analytical standard; CHEMBL1872885; DTXSID5026914; NSC12016; ZINC1718715; EINECS 271-215-7; Tox21_201382; Tox21_303303; 1-Dodecene, >=99.0% (GC); 2179AA; LMFA11000313; NSC-12016; AKOS015904161; CS-W017788; MCULE-4843306057; 1-Dodecene, technical, >=90% (GC); NCGC00164290-01; NCGC00164290-02; NCGC00257096-01; NCGC00258933-01; BS-14425; DB-041090; D0974; FT-0607712; S0342; D70997; A802575; Q161620; J-002769; UNII-2U283N3346 component CRSBERNSMYQZNG-UHFFFAOYSA-N"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	168.32	9	C12H24	0	84	6.8	12	0	0	CCCCCCCCCCC=C	"InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3"	CRSBERNSMYQZNG-UHFFFAOYSA-N
DG01793	Kainic acid	10255	"Kainic acid; 487-79-6; Digenin; Digenic acid; Helminal; Kainate; L-alpha-Kainic acid; alpha-Kainic acid; Digensaeure; Kainsaeure; Acidum kainicum; Acide kainique; Acido kainico; C10H15NO4; 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S,3S,4S)-; UNII-SIV03811UC; alpha- Kainic acid; rac Kainic Acid; CHEMBL275040; SIV03811UC; CHEBI:31746; 3-Pyrrolidineacetic acid, 2-carboxy-4-isopropenyl-; (2S,3S,4S)-3-(Carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid; NSC136038; 3-(Carboxymethyl)-4-isopropenylproline; (3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-yl-L-proline; NCGC00024504-05; (3S,4R)-3-(carboxymethyl)-4-(prop-1-en-2-yl)-L-proline; NSC 136038; (2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid; DSSTox_CID_20526; DSSTox_RID_79503; DSSTox_GSID_40526; (2S,3S,4S)-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid; Kainic acid [INN:JAN]; CAS-487-79-6; Acide kainique [INN-French]; Acido kainico [INN-Spanish]; Acidum kainicum [INN-Latin]; 2-Carboxy-4-isopropenyl-3-pyrrolidineacetic acid; SR-01000075454; 2-Carboxy-3-carboxymethyl-4-isopropenylpyrrolidine; BRN 0086660; kainic-acid; (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid; NSC-759587; KAI; 1p1n; Kainic acid (synthetic); Biomol-NT_000217; UPCMLD-DP146; 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S-(2alpha,3beta,4beta))-; Lopac0_000656; SCHEMBL15777; 4-22-00-01523 (Beilstein Handbook Reference); MLS001074661; BPBio1_001306; (-)-(.alpha.)-Kainic Acid; DTXSID7040526; UPCMLD-DP146:001; UPCMLD-DP146:002; HMS2233K05; HMS3262C13; HMS3266C11; HMS3411A21; HMS3675A21; HY-N2309; ZINC3995575; Tox21_110905; Tox21_500656; BDBM50002369; Kainic Acid - CAS 487-79-6; AKOS024456995; Tox21_110905_1; CCG-204742; LP00656; NSC-136038; SDCCGSBI-0050635.P002; NCGC00024504-02; NCGC00024504-03; NCGC00024504-04; NCGC00024504-06; NCGC00024504-07; NCGC00024504-08; NCGC00024504-09; NCGC00024504-15; NCGC00261341-01; R081; SMR000471885; B6226; CS-0020451; EU-0100656; K 0250; Q390239; SR-01000597728; SR-01000075454-1; SR-01000075454-5; SR-01000075454-6; SR-01000075454-7; SR-01000597728-1; rel-(3R,4R)-3-(carboxymethyl)-4-isopropenyl-D-proline; 2S-CARBOXY-4S-(1-METHYLETHENYL)-3S-PYRROLDINEACETIC ACID; L-proline, 3-(carboxymethyl)-4-(1-methylethenyl)-, (3S,4S)-; (2S,3S,4S)-3-(Carboxymethyl)-4-Prop-1-En-2-yl-Pyrrolidine-2-Carboxylicacid; 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S-(2-alpha,3-beta,4-beta))- (9CI); 4071-38-9"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	213.23	4	C10H15NO4	86.6	300	-1.8	15	3	5	CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O	"InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1"	VLSMHEGGTFMBBZ-OOZYFLPDSA-N
DG01794	"Hexane-1,6-diol"	12374	"1,6-HEXANEDIOL; Hexane-1,6-diol; 629-11-8; Hexamethylene glycol; 1,6-Dihydroxyhexane; Hexamethylenediol; alpha,omega-Hexanediol; .alpha.,.omega.-Hexanediol; UNII-ZIA319275I; 6-hydroxy-1-hexanol; 1,6-Hexanediol, homopolymer; CHEBI:43078; ZIA319275I; 27236-13-1; HEZ; CCRIS 8982; 1,6-Hexylene Glycol; HSDB 6488; NSC 508; 1,6-Hexanediol solution; EINECS 211-074-0; BRN 1633461; AI3-03307; 1,6hexanediol; 1,6 hexanediol; 1.6-hexanediol; 1,6-hexandiol; 1.6-hexandiol; .omega.-Hexanediol; 1,6-hexane diol; 1,6-hexan-diol; hexan-1,6-diol; Hexanediol-(1,6); DSSTox_CID_7265; 1,6-Hexanediol, 97%; 1,6-Hexanediol, 99%; EC 211-074-0; WLN: Q6Q; DSSTox_RID_78376; HO(CH2)6OH; DSSTox_GSID_27265; SCHEMBL15343; CHEMBL458616; NSC508; DTXSID1027265; NSC-508; ZINC1555566; Tox21_200450; MFCD00002985; AKOS003242194; CS-W011221; DB02210; MCULE-8817570517; NCGC00248624-01; NCGC00258004-01; AS-12686; BP-21412; CAS-629-11-8; DB-027344; FT-0607014; H0099; 1,6-Hexanediol solution, BioUltra, ~6 M in H2O; 1,6-Hexanediol, >=99% C6-Dioles basis (GC); A834086; Q161563; J-504039; F0001-1701"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:43078	.	.	.	118.17	5	C6H14O2	40.5	31.5	0.3	8	2	2	C(CCCO)CCO	"InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2"	XXMIOPMDWAUFGU-UHFFFAOYSA-N
DG01795	Silicon dioxide	24261	"SILICON DIOXIDE; Silica; Quartz; Dioxosilane; 7631-86-9; Diatomaceous earth; Cristobalite; Silica gel; Tridymite; Sand; Infusorial earth; Silicic anhydride; KIESELGUHR; 112945-52-5; 14808-60-7; Aerosil; Crystalline silica; Diatomaceous silica; Dicalite; Wessalon; Glass; Ludox; Nyacol; Zorbax sil; 112926-00-8; 61790-53-2; Silica, amorphous; Cab-O-sil; Christensenite; Crystoballite; Silicon(IV) oxide; Siliceous earth; Synthetic amorphous silica; Amorphous silica; Silica, colloidal; 60676-86-0; QUARTZ (SIO2); 14464-46-1; Chalcedony; Diatomite; Agate; Cab-o-sil M-5; colloidal silica; Fused silica; Quartz glass; Quartz sand; Silica slurry; Silicone dioxide; SILICA, VITREOUS; Colloidal silicon dioxide; Siliceous earth, purified; Min-U-Sil; Silicon dioxide (amorphous); 15468-32-3; Silicon dioxide, fumed; Siliziumdioxid; 91053-39-3; UNII-ETJ7Z6XBU4; 68855-54-9; Kieselsaeureanhydrid; Silica Gel, 40-63 Micron Particles; CHEBI:30563; SiO2; (SiO2)n; 43-63C; ETJ7Z6XBU4; Silicon dioxide, colloidal; 15723-40-7; ENT 25,550; [SiO2]; Silica, crystalline - fused; Silicagel; Silicon dioxide, amorphous gel; 13778-37-5; 13778-38-6; 17679-64-0; Silicondioxide; Silica gel desiccant, indicating; Celite; Sand, Ottawa; Sand, Sea; silica gel desiccant; MFCD00011232; MFCD00217788; Silica, mesostructured; Sillikolloid; Acticel; Aerosil 380; Amethyst; Aquafil; Carplex; Cataloid; Crysvarl; Extrusil; Flintshot; Nalcoag; Novaculite; Porasil; Santocel; Silikil; Silikill; Siloxid; Sipernat; Superfloss; Vulkasil; Cherts; Neosil; Neosyl; Snowit; Aerosil-degussa; Imsil; Metacristobalite; Silica vitreous; Zipax; Quartz silica; alpha-Quartz; Fossil flour; Fumed silica; Quartz dust; Rock crystal; Rose quartz; Silica dust; White carbon; Chromosorb P; Silica particles; Tiger-eye; Vulkasil S; Celite superfloss; Cristobalite dust; Snowtex O; Corasil II; Silver bond B; Cab-O-sperse; alpha-Cristobalite; alpha-Crystobalite; Calcined diatomite; Tokusil TPLM; Dri-Die; Gold bond R; Cabosil st-1; Manosil vn 3; Sil-Co-Sil; Ultrasil VH 3; Ultrasil VN 3; Aerosil bs-50; Aerosil K 7; Cabosil N 5; Carplex 30; Carplex 80; Pigment White 27; Siderite (SiO2); Snowtex 30; Syton 2X; Tridymite 118; Zeofree 80; Cab-O-grip II; Silicon(IV) oxide, amorphous; Tridimite [French]; Amorphous silica gel; HI-Sil; Tridymite (SiO2); Glass wool, for laboratory use; Positive sol 232; Aerogel 200; Aerosil 300; Amorphous silica dust; Ludox hs 40; Silanox 101; Silica (SiO2); Vitasil 220; Positive sol 130M; Siliceous earth, purified (NF); Siliceous earth, purified [NF]; Silicon Oxide Hollow Nanospheres; Aerosil A 300; Aerosil E 300; Aerosil M-300; Cristobalite (SiO2); Nyacol 830; Sibelite M 3000; Sibelite M 4000; Sibelite M 6000; Quazo puro [Italian]; Caswell No. 734A; Nalfloc N 1050; Quso 51; Sicron F 300; Sikron F 100; Spectrosil; Accusand; Coesite; Fuselex; Nalcast; Nyacol 1430; Optocil; Quartzine; Quarzsand; Rancosil; Suprasil; Tridimite; Silica, amorphous fused; Siltex; Vitreous quartz; Vitreous silica; Tridymite dust; W 12 (Filler); beta-Quartz; Fused quartz; MIN-U-sil alpha quartz; Quartz-beta; Quso G 30; Silica glass; Amorphous quartz; Dri-Die insecticide 67; Nalco 1050; Quazo puro; Silica, amorphous, fumed; Vitrified silica; MFCD00163736; Pyrogenic colloidal silica; Silica gel, spherical, 60 angstroms; Hydrophobic silica 2482; Silica, fused; Suprasil W; Vitreosil IR; Borsil P; Calcined diatomaceous earth; Silica gel, spherical, 100 angstroms; Silica gel, spherical, 300 angstroms; Silane, dioxo-; Crystallized silicon dioxide; Optocil (quartz); CP-SilicaPLOT; Diatomaceous earth, calcined; Silicon oxide, di- (sand); Quarzsand [German]; S-Col; Admafine SO 25H; Admafine SO 25R; Admafine SO 32H; Admafine SO-C 2; Admafine SO-C 3; Cristobalite asbestos; Keatite (SiO2); Sg-67; Silica, amorphous, fumed, cryst.-free; Fumed silica, crystalline-free; Stishovite (SiO2); ED-C (silica); Fuselex ZA 30; As 1 (silica); CCRIS 2475; CCRIS 3699; DQ12; Agate (SiO2); Celite 545; Dimethyl siloxanes and silicones; Fumed synthetic amorphous silica; Silica, crystalline - tridymite; FB 5 (silica); Fuselex RD 120; Corning 7940; Microcrystalline quartz; Synthetic amorphous silica, fumed; Denka F 90; Denka FB 30; Denka FB 44; Denka FB 74; Denka FS 30; Dri-Die 67; Silica gel spherical, 40-75 mum particle size; WGL 300; Cryptocrystalline quartz; FB 20 (silica); Elsil 100; F 44 (filler); D & D; SF 35; Elsil BF 100; F 125 (silica); F 160 (silica); Fuselex RD 40-60; Silica, amorphous, fused; Silicon dioxide, chemically prepared; EINECS 231-545-4; EINECS 238-455-4; EINECS 238-878-4; EINECS 239-487-1; HK 400; TGL 16319; Silica gel 60, 0.060-0.2mm (70-230 mesh); Silica, crystalline quartz; Silicon dioxide (vitreous); EPA Pesticide Chemical Code 072605; Silica 2482, hydrophobic; CI 7811; Silica, crystalline, quartz; Silica, crystalline: quartz; GP 7I; CAB-O-SIL N-70TS; Silica, crystalline tridymite; Kieselgel; Seesand; Silica, crystalline - quartz; AF-SO 25R; Quartz [Silica, crystalline]; Siilca; Zorbax; quartz-glass; Silicom dioxide; Silica flour (powdered crystalline silica); Silica, crystalline: tridymite; silica-gel; Fused-silica; Silica,fumed; AI3-25549; GP 11I; RD 8; silica-; Silica, fumed; U 333; W 006; Silicon di-oxide; Tridymite [Silica, crystalline]; CRS 1102RD8; Silica Dispersion; SiO2 Nanopowder; Silica gel G; Silica, crystalline: cristobalite; Silica, tridymite; SiO2 Nanospheres; Diatomaceous earth, flux-calcined, filter aid, treated with sodium carbonate, flux calcined; Silica gel 60 ADAMANT(TM) on TLC plates, with fluorescent indicator 254 nm; EF 10; FS 74; MR 84; Silica, crystalline - cristobalite; Silica Microspheres; Cristobalite [Silica, crystalline]; Amorphous silica: Pyrogenic (fumed); EINECS 262-373-8; Silica gel, ASTM; Silica Nanoparticles; Methyl3-oxohexanoate; Siliceous sand, CP; BF 100; EQ 912; QG 100; RD 120; Celite 503; Nettles p.e. extract; Silicon Dioxide Powder; Sea sand, acid washed; Silica, fumed, powder; Silicon dioxide (NF); Activated Silica Powder; Activated Silicon Oxide; Sand 50-70 mesh; F 44; Silica gel, large pore; Y 40; SiO2.xH2O; Hollow Silica Nanosphere; Silicon Oxide Dispersion; Silicon Oxide Nanopowder; Activated Silicon Dioxide; Celite (R) 545; Crystalline Silica Quartz; Silica gel, ACS reagent; Celite(R) 512 medium; Kieselguhr, -325 mesh; Silica, 99.8%; SBA-15 Molecular Sieve; Silicon dioxide Nanopowder; Diatomaceous earth, powder; DSSTox_CID_9677; Silicon Dioxide Dispersion; Epitope ID:158537; Silica, fumed, hydrophobic; Silicon Dioxide Nanospheres; Silicon Dioxide, Amorphous; Silicon Oxide Nanoparticles; EC 231-545-4; Celite(R) 503, CP; Celite(R) 535, CP; Celite(R) 545, CP; Nano Silicon Dioxide Powder; DSSTox_RID_78805; CELATOM(R) FW-60; DSSTox_GSID_29677; Silicon dioxide, acid washed; Silica, hydrate(8CI,9CI); Silicon(IV) oxide (SiO2); 99439-28-8; Silicon Dioxide, Precipitated; Silica fibers, 1/4'' long; Kieselguhr, calcined, purified; Silica gel, CP, blue, beads; Silica Nanoparticles Dispersion; Silica, fused, respirable dust; 25wt% Silicon Oxide in Water; AW Standard Super-Cel(R) NF; MCM-41; Silica gel, CP, mixed, beads; Silica gel, CP, white, beads; Silicates (<1% crystalline silica):Graphite, natural; Hyflo(R) Super-Cel(R), CP; CHEMBL3188292; DTXSID1029677; Filter agent, Celite(R) 545; Sand, white quartz, CP, beads; Quarz cryst., 0.6-1.3 mm; Silicon dioxide, colloidal (NF); Diatomaceous earth, flux-calcined; Silicon dioxide, SAJ first grade; Diatomaceous earth non-washed, CP; Silica Gel Dessicant (Grade 03); Silica gel, CP, blue, bead size; Filter agent, Celatom(R) FW-14; Filter agent, Celatom(R) FW-50; Filter agent, Celatom(R) FW-60; Filter agent, Celatom(R) FW-80; Silica, fused [Silica, amorphous]; Silicon dioxide, JIS special grade; Silicon Oxide Mesoporous Nanopowder; AMY37125; Chromosorb(R) G, 80-100 mesh; 2-Mercaptoethyl ethyl sulfide silica; Celite(R) 545 AW, reagent grade; Silica gel 60, 230-400 mesh; Silica Hollow Nanospheres Dispersion; Silicon(IV) oxide, electronic grade; Tox21_301288; MFCD00148266; MFCD00603035; MFCD02100519; MFCD06202255; MFCD07370733; Sand, white quartz, CP, crystalline; Silica gel, indicating, 6-16 mesh; Chromosorb(R) W/AW, 45-60 mesh; Light anhydrous silicic acid (JP17); Quarz fine, cryst., 0.4-0.8 mm; Silica gel, 70-200 mesh (TLC); Silica, fumed, powder, 0.008 mum; AKOS009085429; Silicon Dioxide Nanospheres Properties; DB11132; Iron Sulfide (FeS) Sputtering Targets; Silicon Dioxide Nanoparticle Dispersion; Glass spheres, 9-13 mum particle size; Quartz (silicon dioxide), silver, pure; s25266; Silica gel, CP, white, medium granules; Silica gel, technical grade, 3-9 mesh; Silica, mesostructured, HMS (wormhole); NCGC00257531-01; Sand, white quartz, purum p.a., powder; Silica gel orange, granular, 0.2-1 mm; SILICON DIOXIDE amorphous fumed silica; Silicon Oxide Nanoparticles / Nanopowder; Silicon(IV) oxide, powder, 0.5 micron; Silicon(IV) oxide, powder, 1.0 micron; Silicon(IV) oxide, powder, 1.5 micron; 14639-89-5; 92283-58-4; E551; Silica gel, CP, blue, bead size, medium; Silica gel, technical grade, 6-16 mesh; Silicon oxide powder, 99% Nano, 20 nm; CAS-7631-86-9; Silica gel desiccant, -3+8 mesh granules; Silica gel, 12-24 mesh (liquid drying); Silica gel, CP, mixed, bead size, medium; Silica gel, for column chromatography, 60; Silicon Dioxide Nanoparticles / Nanopowder; Celite(R) 281, filter aid, flux calcined; Celite(R) S, filter aid, dried, untreated; Chromosorb(R) W/AW-DMCS, 80-100 mesh; Quarz min. 99% powdered, up to 125  m; Silica gel desiccant, -6+12 mesh granules; Silicon dioxide, purum p.a., acid purified; White Silica Gel Beads, 3 mm (2-5 mm); FT-0624621; FT-0645127; FT-0689145; FT-0689270; FT-0696592; FT-0696603; FT-0697331; FT-0697389; FT-0700917; Quartz rod, fused, 2.0mm (0.079in) dia; Quartz rod, fused, 5.0mm (0.197in) dia; S0822; Silica gel, with 1-4 mm moisture indicator; Silica, amorphous, fumed (crystalline free); Silicon dioxide Nanopowder KH550 processing; Silicon dioxide Nanopowder KH570 processing; Silicon(IV) oxide, 99.0% (metals basis); Celite(R) 110, filter aid, flux calcinated; Celite(R) 512 medium, filter aid, calcined; Chromosorb(R) G/AW-DMCS, 100-120 mesh; Chromosorb(R) W/AW-DMCS, 120-140 mesh; K-411 Glass microspheres, NIST SRM 2066; Quartz rod, fused, 10.0mm (0.394in) dia; Silica gel, technical grade 40, 6-12 mesh; C18 Silica Gel, Endcapped, 60A, 40-63um; D05839; D06521; D06522; D78143; Sand, white quartz, 50-70 mesh particle size; Silica gel, large pore, P.V. ca. 1.65cc/g; Silica, mesostructured, MSU-F (cellular f"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11132	.	.	60.084	0	O2Si	34.1	18.3	.	3	0	2	O=[Si]=O	InChI=1S/O2Si/c1-3-2	VYPSYNLAJGMNEJ-UHFFFAOYSA-N
DG01796	Streptozocin	29327	"Streptozocin; STREPTOZOTOCIN; streptozosin; 18883-66-4; Zanosar; Estreptozocina; Streptozocine; Streptozocinium; Streptozocinum; 2-Desoxy-2-(3-methyl-3-nitrosoureido)-D-glucopyranose; 66395-18-4; N-D-Glucosyl-(2)-N'-nitrosomethylurea; C8H15N3O7; alpha-Streptozocin; streptozotocin (stz); CHEBI:9288; 2-Deoxy-2-(3-methyl-3-nitrosoureido)-D-glucopyranose; N-D-Glucosyl-(2)-N'-nitrosomethylharnstoff; 2-Deoxy-2-(((methylnitrosoamino)carbonyl)amino)-D-glucopyranose; UNII-8H27GUR065; 8H27GUR065; MFCD00006607; STZ; alkylating agent; NSC-85998; DSSTox_CID_1282; DSSTox_RID_76055; DSSTox_GSID_21282; binds to DNA; Zanosar (TN); SR-05000001720; 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-D-glucose; 2-deoxy-2-({[methyl(nitroso)amino]carbonyl}amino)-alpha-D-glucopyranose; NCGC00016738-01; CAS-18883-66-4; Spectrum_000960; Streptozotocin - Zanosar; 2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-alpha-D-glucopyranose; Prestwick3_000732; Spectrum2_000062; Spectrum3_001087; Spectrum4_001244; Spectrum5_001047; Epitope ID:134282; N-(Methylnitrosocarbamoyl)-alpha-D-glucosamine; SCHEMBL4748; Streptozocin; Streptozotocin; CHEMBL1603; BSPBio_000684; BSPBio_002734; KBioGR_001768; KBioSS_001440; MLS004774123; DivK1c_000531; SPECTRUM1500543; SPBio_000243; BPBio1_000754; Streptozocin (JAN/USAN/INN); DTXSID2021282; BCBcMAP01_000142; HMS501K13; KBio1_000531; KBio2_001440; KBio2_004008; KBio2_006576; KBio3_001954; NINDS_000531; HMS1921A07; HMS2092I09; HMS2097C06; HMS3714C06; Pharmakon1600-01500543; 2-Deoxy-2[[(methylnitrosoamino)-carbonyl]amino]-D-glucopyranose; ACT03364; ZINC3977737; Streptozocin, >=98.0% (HPLC); Tox21_110585; Tox21_201859; Tox21_302974; CCG-39870; NSC757321; s1312; AKOS025310730; Tox21_110585_1; DB00428; NSC-757321; IDI1_000531; SMP1_000282; NCGC00178500-01; NCGC00178500-02; NCGC00178500-03; NCGC00178500-04; NCGC00178500-07; NCGC00256594-01; NCGC00259408-01; 1-methyl-1-nitroso-3-((2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)urea; SMR001233317; SBI-0051517.P003; AB00513906; SW199198-2; C07313; D05932; AB00052092-03; AB00052092_04; AB00052092_05; 883S664; A937380; N-(METHYLNITROSOCARBAMOYL)-A-D-GLUCOSAMINE; Q257331; SR-01000939745; SR-01000939745-3; SR-05000001720-1; SR-05000001720-2; W-201687; Streptozocin, Vetec(TM) reagent grade, 98%, powder; Streptozocin, >=75% alpha-anomer basis, >=98% (HPLC), powder; alpha-D-Glucopyranose, 2-deoxy-2-(((methylnitrosoamino)carbonyl)amino)-; WURCS=2.0/1,1,0/[a2122h-1a_1-5_2*NCNN=O/4C/3=O]/1/; 3-methyl-3-nitroso-1-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea; 1-Methyl-1-nitroso-3-((2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-3-yl)urea; 1-methyl-1-nitroso-3-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]urea"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9288	DB00428	.	.	265.22	2	C8H15N3O7	152	315	-1.4	18	5	8	CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O)N=O	"InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7+/m1/s1"	ZSJLQEPLLKMAKR-GKHCUFPYSA-N
DG01797	"N-[(5,7-dichloro-2,3-dihydro-1-benzofuran-2-yl)methyl]propan-2-amine"	36806	NULL	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	260.16	3	C12H15Cl2NO	21.3	237	3.6	16	1	2	CC(C)NCC1CC2=C(O1)C(=CC(=C2)Cl)Cl	"InChI=1S/C12H15Cl2NO/c1-7(2)15-6-10-4-8-3-9(13)5-11(14)12(8)16-10/h3,5,7,10,15H,4,6H2,1-2H3"	FCFGRTQYVIIVRZ-UHFFFAOYSA-N
DG01798	Cyperquat	39484	"Cyperquat; MPP+; 1-METHYL-4-PHENYLPYRIDINIUM; N-Methyl-4-phenylpyridine; 48134-75-4; N-Methyl-4-phenylpyridinium ion; 1-methyl-4-phenylpyridin-1-ium; N-Methyl-4-phenylpyridinium; Pyridinium,1-methyl-4-phenyl-; UNII-R865A5OY8J; CHEBI:641; R865A5OY8J; Cyperquat [ANSI]; Pyridinium, 1-methyl-4-phenyl-; 1 Methyl 4 Phenylpyridinium; CCRIS 2187; BRN 1618932; Cyperquat [ANSI:ISO]; SCHEMBL37321; CHEMBL311617; GTPL4568; DTXSID4058106; BDBM81945; ZINC967769; CAS_39484; NSC_39484; Pyridinium, 1-methyl-4-phenyl- (9CI); 5-20-07-00550 (Beilstein Handbook Reference); Q161645"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:641	.	.	DR01488	170.23	1	C12H12N+	3.9	141	2.7	13	0	0	C[N+]1=CC=C(C=C1)C2=CC=CC=C2	"InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1"	FMGYKKMPNATWHP-UHFFFAOYSA-N
DG01799	4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone	47289	"64091-91-4; 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone; 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE; NNK (carcinogen); NNK; 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone; 1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl)-; 4-(N-Nitroso-N-methylamino)-1-(3-pyridyl)-1-butanone; UNII-7S395EDO61; N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide; MFCD00274580; 4-Methylnitrosoamino-1-(3-pyridinyl)-1-butanone; 4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone; N-Methyl-N-nitroso-4-oxo-4-(3-pyridyl)butyl amine; 4-(Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone; 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one; CHEBI:32692; 7S395EDO61; 4-(Nitrosomethylamino)-1-(3-pyridyl)-1-butanone; 4-(Methylnitrosamino)-1-(3-pyridyl)-1-(butanone); 4-[methyl(nitroso)amino]-1-pyridin-3-ylbutan-1-one; Ketone, 3-pyridyl 3-(N-methyl-N-nitrosamino)propyl; N-methyl-N-(4-oxo-4-(pyridin-3-yl)butyl)nitrous amide; N-Methyl-N-[4-oxo-4-(pyridin-3-yl)butyl]nitrous amide; 4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one; CCRIS 1150; BRN 3548355; HSDB 7771; Ozone/NNK; 4-(Nitrosoamino-N-methyl)-1-(3-pyridyl)-1-butanone; 4-(N-Methyl-N-nitrosoamino)-4-(3-pyridyl)-1-butanone; 64091-50-5; DSSTox_CID_881; N-Nitrosonornicotine ketone; N-Nitrosonornicotine-ketone; DSSTox_GSID_20881; 4-(methylnitrosoamino)-1-(3-pyridyl)-1-butanone; SCHEMBL454516; 1-Butanone, 4-(methylnitrosamino)-1-(3-pyridyl)-; CHEMBL2311069; DTXSID3020881; Nicotine-derived nitrosamine ketone; BCP32075; ZINC5239470; Tox21_303771; AKOS028109857; NCGC00163358-01; NCGC00357285-01; SY062201; CAS-64091-91-4; HY-126477; FT-0616837; FT-0672061; FT-0672062; A50811; Q6138931; 1-Butanone,4-(methylnitrosoamino)-1-(3-pyridinyl)-; 1-Butanone, 4-(N-methyl-N-nitrosamino)-1-(3-pyridyl); 4-(1-Methyl-2-oxohydrazino)-1-(3-pyridinyl)-1-butanone #; 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) solution; 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone, analytical standard; 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	DR0011	.	207.23	5	C10H13N3O2	62.6	221	0.8	15	0	5	CN(CCCC(=O)C1=CN=CC=C1)N=O	"InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3"	FLAQQSHRLBFIEZ-UHFFFAOYSA-N
DG01800	Simvastatin	54454	"Simvastatin; 79902-63-9; Zocor; Synvinolin; Sinvacor; Denan; Lipex; MK-733; Sivastin; Lodales; Simvastatine; Cholestat; Colemin; Simovil; Medipo; Pantok; Simvastatina; Simvastatinum; Velostatin; Zocord; Zorced; Simvastatin lactone; Simvastatin (Zocor); Lipovas; Simcard; Simvacor; Simvoget; Rechol; Simlup; (1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate; MK-0733; UNII-AGG2FN16EV; MK 733; 2,2-Dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one; AGG2FN16EV; CHEBI:9150; (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate; [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate; Labistatin; Coledis; Corolin; Nivelipol; Rendapid; Vasotenal; NSC-758706; Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester; C25H38O5; Simvastatine [French]; Simvastatinum [Latin]; Simvastatina [Spanish]; DSSTox_CID_3581; DSSTox_RID_77090; DSSTox_GSID_23581; Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-((2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester; Zosta; Simvast CR; DRG-0320; [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate; SMR000718785; MK 0733; CCRIS 7558; Zocor (TN); HSDB 7208; Simvastatin & Primycin; MK733; SR-05000001894; (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate; L 644128-000U; BRN 4768037; Kolestevan; Lipinorm; Modutrol; Simvotin; Sinvascor; Valemia; Eucor; MFCD00072007; Nor-Vastina; Simvastatin,(S); C10AA01; simvastatin predrug; (+)-Simvastatin; NCGC00016940-01; inactive simvastatin; Simvastatin [USAN:USP:INN:BAN]; TNP00259; Prestwick_171; Simvastatin- Bio-X; CAS-79902-63-9; KS-1113; Spectrum_001717; SpecPlus_000895; Prestwick0_000865; Prestwick1_000865; Prestwick2_000865; Prestwick3_000865; Spectrum2_001671; Spectrum3_000669; Spectrum4_000632; Spectrum5_001428; SCHEMBL2471; CHEMBL1064; BSPBio_000909; BSPBio_002337; KBioGR_001244; KBioSS_002197; MLS001304029; MLS001333077; MLS001333078; MLS002154038; MLS006011866; BIDD:GT0769; DivK1c_006991; SPECTRUM1504236; SPBio_001881; SPBio_002830; BPBio1_001001; GTPL2955; Simvastatin (JP17/USP/INN); Simvastatin, analytical standard; DTXSID0023581; BCBcMAP01_000007; KBio1_001935; KBio2_002197; KBio2_004765; KBio2_007333; KBio3_001557; RYMZZMVNJRMUDD-HGQWONQESA-; HMS1570N11; HMS1922H13; HMS2089D12; HMS2093E06; HMS2097N11; HMS2231N22; HMS3259B12; HMS3412P08; HMS3676P08; HMS3714N11; HMS3884G10; Pharmakon1600-01504236; ZINC3780893; Tox21_110696; Tox21_300400; BBL024390; BDBM50139181; CCG-39069; NSC633782; NSC758706; s1792; STK801938; AKOS005111006; AKOS015842733; Simvastatin, >=97% (HPLC), solid; Tox21_110696_1; AC-1530; DB00641; MCULE-8390617062; NC00719; NSC 758706; NSC-633782; MRF-0000729; NCGC00017324-01; NCGC00017324-02; NCGC00017324-03; NCGC00017324-04; NCGC00017324-05; NCGC00017324-07; NCGC00017324-08; NCGC00017324-09; NCGC00254418-01; 2,2-Dimethylbutanoic acid (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester; BS164407; Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1alpha,3alpha,7beta,8beta(2S*,4S*),8abeta))-; HY-17502; SBI-0206773.P001; Simvastatin 100 microg/mL in Acetonitrile; S0509; D00434; J10128; AB00053395-07; AB00053395-08; AB00053395-10; AB00053395_11; AB00053395_13; 902S639; A839783; Q670131; SR-05000001894-1; SR-05000001894-2; BRD-K22134346-001-05-8; BRD-K22134346-001-11-6; BRD-K22134346-001-15-7; Z1741982918; Simvastatin, British Pharmacopoeia (BP) Reference Standard; Simvastatin, European Pharmacopoeia (EP) Reference Standard; Simvastatin, United States Pharmacopeia (USP) Reference Standard; Simvastatin, Pharmaceutical Secondary Standard; Certified Reference Material; Simvastatin for peak identification, European Pharmacopoeia (EP) Reference Standard; (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyly-2,2-dimethyl butanoate; (1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbu; (1S,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9150	DB00641	DR1485	DR00435	418.6	7	C25H38O5	72.8	706	4.7	30	1	5	CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C	"InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1"	RYMZZMVNJRMUDD-HGQWONQESA-N
DG01801	Adenosine	60961	"Adenosine; 58-61-7; Adenocard; Adenoscan; Adenine riboside; beta-D-Adenosine; Nucleocardyl; Adenosin; Boniton; Sandesin; Myocol; Adenine nucleoside; Adenocor; beta-Adenosine; 9-beta-D-Ribofuranosyladenine; 9-beta-D-Ribofuranosidoadenine; 9-beta-D-Ribofuranosyl-9H-purin-6-amine; Adenosin [German]; USAF CB-10; 9beta-D-Ribofuranosyladenine; 6-Amino-9-beta-D-ribofuranosyl-9H-purine; Ade-Rib; Caswell No. 010B; Adenosine [USAN:BAN]; (2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; beta-D-Ribofuranoside, adenine-9; 6-Amino-9beta-D-ribofuranosyl-9H-purine; SR 96225; (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; CHEBI:16335; Quinquefolan B; D-Adenosine; 3H-adenosine; (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; NSC 7652; Dehydran 240; UNII-K72T3FS567; Adenosine (Adenocard); AI3-52413; 9H-Purin-6-amine, 9beta-D-ribofuranosyl-; MFCD00005752; CHEMBL477; SR-96225; beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-; adenine-D-ribose; 9-.beta.-d-Ribofuranosyladenine; 5536-17-4; K72T3FS567; CCRIS 2557; Adenine-9-beta-D-ribofuranoside; NCGC00023673-05; Pallacor; DSSTox_CID_2558; DSSTox_RID_76628; DSSTox_GSID_22558; 109767-06-8; 133248-01-8; Adenine 9-beta-D-arabinofuranoside; .beta.-D-Adenosine; CAS-58-61-7; Adenocard (TN); Adenoscan (TN); 41547-82-4; SMR000058216; MEDR-640; Adenosine (JAN/USP); SR-05000001981; EINECS 200-389-9; Adenine-beta-D-arabinofuranoside; NSC 627048; NSC7652; Adenogesic; Adenosine [USAN:USP:BAN]; Adenin riboside; NSC-7652; .beta.-D-Ribofuranoside, adenine-9; 9-.alpha.-D-Arabinofuranosyladenine; MFCD00065471; NSC627048; b-D-Adenosine; HSDB 7774; SUN-Y4001; N6-Methylado; 1dgm; 1odi; 2fqy; 2ydo; 3axz; 4cki; 4ckj; Adenosine,(S); adenosine-N-15N; adenosine-8-13C; adenosine-9-15N; beta-delta-Adenosine; [U-14C]adenosine; 6-Amino-9.beta.-D-ribofuranosyl-9H-purine; 2gl0; 3ay0; 4pd9; Adenosine, >=99%; 6-Amino-9-.beta.-ribofuranosyl-9H-purine; Spectrum2_001257; Spectrum3_000288; cid_191; SCHEMBL731; bmse000061; bmse000996; Epitope ID:140947; 4-Aminopyrazolo[3,4-d]pyrimidine ribonucleoside; 9-ss-D-Ribofuranosyladenine; BSPBio_001796; .beta.-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-; cid_60961; MLS000069638; MLS002153227; MLS006010946; SPECTRUM1500107; Adenine-9-ss-D-ribofuranoside; REGID_for_CID_60961; SPBio_001194; adenine-9beta-D-Ribofuranoside; GTPL2844; 9beta-delta-Ribofuranosyladenine; DTXSID1022558; BDBM14487; KBio3_001296; 9-beta-delta-Ribofuranosyladenine; EA6C60C2-6AFB-4264-A2F0-541373DB950E; 9-.beta.-D-Ribofuranosidoadenine; 9-beta-delta-Ribofuranosidoadenine; adenine-9beta-delta-Ribofuranoside; Bio1_000437; Bio1_000926; Bio1_001415; HMS1920A13; HMS2091G13; HMS2235E24; HMS3884O04; Pharmakon1600-01500107; ACT02616; ALBB-032827; AMY30083; XYA; ZINC2169830; 9-beta-delta-Arabinofuranosyladenine; Tox21_110891; AC7861; adenosine-2-13C-N,1,3-15N3; CCG-38824; NSC755857; s1647; AKOS015888594; Tox21_110891_1; AC-8229; AM83931; DB00640; MCULE-7071766082; NSC-755857; SDCCGMLS-0003108.P003; 9- -D-Ribofuranosyl-9H-purin-6-amine; 9beta-D-ribofuranosyl-9H-Purin-6-amine; NCGC00023673-03; NCGC00023673-04; NCGC00023673-06; NCGC00023673-07; NCGC00023673-10; NCGC00023673-20; NCGC00178869-03; 9-  -D-Ribofuranosyl-9H-purin-6-amine; AC-27494; AS-12664; Adenosine, Vetec(TM) reagent grade, 98%; SBI-0206673.P002; 9beta-delta-ribofuranosyl-9H-Purin-6-amine; DB-022408; 6-Amino-9beta-delta-ribofuranosyl-9H-purine; 9-.beta.-D-Ribofuranosyl-9H-purin-6-amine; 9-beta-delta-Ribofuranosyl-9H-purin-6-amine; A0152; 9H-Purin-6-amine, 9-.beta.-d-ribofuranosyl-; C00212; D00045; AB00384349-11; AB00384349_13; AB00384349_14; Adenosine, BioReagent, suitable for cell culture; Q190012; UNII-F2 component OIRDTQYFTABQOQ-KQYNXXCUSA-N; SR-05000001981-1; SR-05000001981-2; Z1741978458; 1-(6-amino-9H-purin-9-yl)-1-deoxy-beta-D-Ribofuranose; Adenosine, European Pharmacopoeia (EP) Reference Standard; Formycin A, from Streptomyces kaniharaensis, >=98% (HPLC); 1-(6-amino-9H-purin-9-yl)-1-deoxy-beta-delta-Ribofuranose; Adenosine, United States Pharmacopeia (USP) Reference Standard; Adenosine, Pharmaceutical Secondary Standard; Certified Reference Material; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; 142796-17-6; 158749-77-0; 177030-94-3; 244769-76-4"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16335	DB00640	DR0046	DR00904	267.24	2	C10H13N5O4	140	335	-1.1	19	4	8	C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1"	OIRDTQYFTABQOQ-KQYNXXCUSA-N
DG01802	Delphinidin	68245	"Delphinidin chloride; 528-53-0; Delphinidin; Delphinidine; Delphinidol; Delfinidol chloride; Ephdine; 8012-95-1; UNII-EM6MD4AEHE; Delphinidin (chloride); 1-Benzopyrylium, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride; EM6MD4AEHE; 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol chloride; 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyrylium chloride; IdB 1056; 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride; CHEBI:38701; 3,3',4',5,5',7-Hexahydroxyflavylium chloride; 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium chloride; MFCD00016663; 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium chloride; Delphinidine; Delphinidol; Ephdine; IdB 1056;Delfinidol chloride; Delphinidin; CHEMBL590878; Delphinidin chloride, analytical standard; 3,3',4',5,5',7-Hexahydroxy-2-phenylbenzopyrylium chloride; CCRIS 2518; EINECS 208-437-0; C15H11O7.Cl; Delphinidinchloride; 2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3,5,7-triol; SCHEMBL22369; IdB-1056; DTXSID701019982; 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium chloride; BCP15819; HY-N2409; 6267AF; AKOS027326494; AC-35150; AS-78369; CS-0022610; FT-0645153; FT-0665679; Q367258; Flavylium 3,3',4',5,5',7-hexahydroxy-, chloride (8CI); UNII-R911H793SU component FFNDMZIBVDSQFI-UHFFFAOYSA-N"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:38701	.	.	.	338.69	1	C15H11ClO7	122	380	.	23	6	7	C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.[Cl-]	"InChI=1S/C15H10O7.ClH/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6;/h1-5H,(H5-,16,17,18,19,20,21);1H"	FFNDMZIBVDSQFI-UHFFFAOYSA-N
DG01803	Chloroquinine phosphate	83818	"Chloroquinine phosphate; TCMDC-123988; Tanakan; 1446-17-9; Chloroquine monophosphate; Araten phosphate; Chloroin; Delagil; Khingamin; Miniquine; Resochin; Rivoquine; Tanakene; Arolen; Aralen diphosphate; Gontochin phosphate; Chloroquin diphosphate; Ipsen 225; Chloroquine, phosphate; NSC14050; NSC-14050; 3377 RP; 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid; SN 7,618; EGb761; Resochin diphosphate; Quinoline, diphosphate; CQ; CHEMBL1326; SCHEMBL40829; DTXSID10932343; Pharmakon1600-01500179; NSC756681; AKOS025310652; NSC-756681; 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, phosphate (1:1)-; Quinoline, 7-chloro-4-((4-(diethylamino)-1-methylbutyl)amino)-, phosphate (1:1); NCGC00180905-01; NCGC00180905-02; 941C583; WLN: T66 BNJ EMY1&3N2&2 IG &P2-O6; Q27268205; 1, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, phosphate (1:2); 7-Chloro-4-[(4'-diethylamino-1-methylbutyl)amino]quinoline diphosphate; Quinoline, 7-chloro-4-[(4-diethylamino-1-methylbutyl)amino]-, diphosphate (6CI); Phosphoric acid--N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine (1/1)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01381	.	.	417.9	8	C18H29ClN3O4P	106	359	.	27	4	7	CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O	"InChI=1S/C18H26ClN3.H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);(H3,1,2,3,4)"	AEUAEICGCMSYCQ-UHFFFAOYSA-N
DG01804	Catalpol	91520	"Catalpol; 2415-24-9; Catalpinoside; CHEMBL513223; CHEBI:69797; De(p-hydroxybenzoyl)catalposide; UNII-JCX5L7JIC2; JCX5L7JIC2; Catalposide, des-p-hydroxybenzoyl-; EINECS 219-324-0; Digitalis purpurea L; SCHEMBL420515; Catalpol, >=96% (HPLC); DTXSID60178850; HY-N0820; ZINC8234298; BDBM50259972; AKOS024264429; AC-8052; AM84820; CCG-208299; LMPR0102070007; NCGC00163523-01; (1AS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl-beta-D-glucopyranoside; AS-75213; beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy- 1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1a-alpha,1b-beta,2-beta,5a-beta,6-beta,6a-alpha))-; beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-; N1352; SR-05000002315; Q1050267; SR-05000002315-2; (1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-Hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside; (1S,5R,6R)-2-[(1S,1bS,2S,5aR,6S)-6-hydroxy-1a-((S)-hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydro-1,3-dioxa-cyclopropa[a]inden-2-yloxy]-6-((S)-hydroxymethyl)-tetrahydro-pyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-(((1aS,1bS,2S,5aR,6S,6aS)-6-hydroxy-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; (2S,3R,4S,5S,6R)-2-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2), ]DEC-7-EN-10-YL]OXY}-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	362.33	4	C15H22O10	162	542	-3.2	25	6	10	C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1"	LHDWRKICQLTVDL-PZYDOOQISA-N
DG01805	Homocysteine	91552	"L-Homocysteine; homocysteine; 6027-13-0; (2S)-2-amino-4-sulfanylbutanoic acid; (s)-2-amino-4-mercaptobutanoic acid; UNII-0LVT1QZ0BA; 2-AMINO-4-MERCAPTO-BUTYRIC ACID; CHEBI:17588; L-2-Amino-4-mercaptobutyric acid; 0LVT1QZ0BA; CHEMBL469662; Hcy; MFCD00151320; homo-cys; H-Hcys-OH; Butyric acid, 2-amino-4-mercapto-; HCS; Homocysteine (VAN); 454-28-4; 2-amino-4-sulfanylbutanoate; EINECS 227-891-0; NSC 43117; NSC 118376; 2-Amino-4-mercaptobutyric acid (VAN); Butanoic acid, 2-amino-4-mercapto- (VAN); Butanoic acid, 2-amino-4-mercapto-, (S)-; Epitope ID:143650; SCHEMBL35837; 2-amino-4-mercapto-Butanoate; GTPL5198; DTXSID3041039; 2-amino-4-mercapto-DL-Butyrate; 2-amino-4-mercapto-Butanoic acid; ZINC895077; (S)-2-amino-4-mercapto-Butanoate; L-2-amino-4-mercapto-Butyric acid; (S)-2-Amino-4-mercaptobutyric acid; 2-amino-4-mercapto-DL-Butyric acid; BDBM50242405; DL-2-amino-4-mercapto-Butyric acid; L-Homocysteine, >=98.0% (NT); AKOS006272166; (S)-2-amino-4-mercapto-Butanoic acid; CS-W011063; DB04422; FS-6405; HY-W010347; Butyric acid, 2-amino-4-mercapto- (8CI); C00155; H-2800; I11579; Butyric acid, 2-amino-4-mercapto-, L- (8CI); A832662; Q26992833; UNII-S7IJP4A89K component FFFHZYDWPBMWHY-VKHMYHEASA-N"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:17588	DB04422	.	.	135.19	3	C4H9NO2S	64.3	86.1	-3.4	8	3	4	C(CS)[C@@H](C(=O)O)N	"InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1"	FFFHZYDWPBMWHY-VKHMYHEASA-N
DG01806	Norcantharidin	93004	"Norcantharidin; 5442-12-6; Norcantharadine; 29745-04-8; 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride; Endothall anhydride; Hexahydro-4,7-epoxyisobenzofuran-1,3-dione; 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-; NCTD; (+/-)-Norcantharidin; 3,6-Endoxohexahydrophthalic anhydride; (+/-)-NCTD; 4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione; 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic anhydride; Isocantharidin; DEMETHYL-CANTHARIDIN; exo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride; MFCD00213361; NSC-14003; NSC-59023; 3, hexahydro-; NSC 14003; Norcantharidin, solid; Spectrum_001667; 3,6-Endooxyphthalic anhydride, hexahydro-; SpecPlus_000904; Phthalic anhydride, hexahydro-3,6-endoxo-; 4,3-dione, hexahydro-; Spectrum2_001683; Spectrum3_001634; Spectrum4_000601; Spectrum5_001514; CHEMBL8327; Lopac0_000830; BSPBio_003327; KBioGR_001122; KBioSS_002147; Phthalic anhydride,6-endoxo-; MLS002153470; DivK1c_007000; SCHEMBL177729; SPECTRUM1504153; SPBio_001606; YSCH0101; 4,10-dioxatricyclo[5.2.1.0<2,6>]decane-3,5-dione; KBio1_001944; KBio2_002147; KBio2_004715; KBio2_007283; KBio3_002547; DTXSID30884158; HMS3262F21; HMS3370H07; 4,7-Epoxyisobenzofuran-1,3-dione; BCP09826; BCP25426; HY-N0585; NSC14003; NSC59023; Tox21_500830; WLN: T C555 A AO DVOVTJ; CCG-39454; NSC148536; s3759; STK424286; Hexahydro-3,6-epoxyphthalic anhydride; AKOS003267901; FS-4623; LP00830; MCULE-7561066553; NSC-148536; SDCCGSBI-0050807.P003; NCGC00015756-03; NCGC00015756-04; NCGC00015756-05; NCGC00015756-06; NCGC00015756-07; NCGC00015756-08; NCGC00015756-09; NCGC00015756-14; NCGC00094161-01; NCGC00094161-02; NCGC00094161-03; NCGC00094161-04; NCGC00094161-05; NCGC00094161-06; NCGC00261515-01; NCI60_001019; SMR000326693; DB-050518; CS-0009119; EU-0100830; FT-0614776; FT-0621477; FT-0626378; N1662; hexahydro-4,7-epoxy-2-benzofuran-1,3-dione; N 8784; 3,6-Endoxohexahydrophthalic anhydride, exo isomer; SR-01000076037; SR-01000076037-1; 4,10-dioxatricyclo[5.2.1.0 , ]decane-3,5-dione; BRD-A66914119-001-04-0; Q15425762; 4,10-Dioxa-tricyclo[5.2.1.02,6]decane-3,5-dione; 3-(5'-(4-(diphenylamino)phenyl)-[2,2'-bithiophen]-5-yl)cyclohex-2-enone; EXO-7-OXA-BICYCLO(2.2.1)-HEPTANE-2,3-DICARBOXYLIC ANHYDRIDE; Exo-cis-Hexahydro-4,7-epoxyisobenzofuran-1,3-dione; Endothall anhydride; 4,10-Dioxatricyclo[5.2.1.0(2,6)]decane-3,5-dione; 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride; 51154-98-4; TIMTEC-BB SBB005955;4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-;4,10-Dioxatricyclo[5.2.1.0(2,6)]decane-3,5-dione"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	168.15	0	C8H8O4	52.6	246	-0.1	12	0	4	C1CC2C3C(C1O2)C(=O)OC3=O	"InChI=1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2"	JAABVEXCGCXWRR-UHFFFAOYSA-N
DG01807	N6-Methyladenosine	102175	"N6-Methyladenosine; 1867-73-8; N-Methyladenosine; 6-Methyladenosine; N(6)-Methyladenosine; 6-Methylaminopurinosine; 6-Methylaminopurine riboside; 6-Methylaminopurine D-riboside; 6-Methylaminopurine ribonucleoside; (2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-(methylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol; N6-methyladenosine (m6A); (N-6)-Methyladenosine; UNII-CLE6G00625; M6A; CHEBI:21891; N(6)-monomethyladenosine; CHEMBL383144; CLE6G00625; NSC-29409; (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolane-3,4-diol; (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)-9H-purin-9-yl]oxolane-3,4-diol; (2R,3S,4R,5R)-2-Hydroxymethyl-5-(6-methylamino-purin-9-yl)-tetrahydro-furan-3,4-diol; NSC627045; 4rdn; 6MD; Prestwick_343; N6 -methyladenosine; Prestwick0_000338; Prestwick1_000338; Prestwick2_000338; Prestwick3_000338; Epitope ID:140951; SCHEMBL40634; BSPBio_000375; MLS002153780; SPBio_002296; BPBio1_000413; DTXSID6020858; HMS1569C17; HMS2096C17; HMS2234N05; HMS3713C17; HY-N0086; ZINC4245632; 2575AH; BDBM50163023; MFCD00005739; PDSP1_001030; PDSP2_001014; s3190; Adenosine, N-methyl- (8CI)(9CI); AKOS024260287; CCG-220338; CS-3285; GS-6701; NCGC00162241-01; NCGC00162241-02; NCGC00162241-04; NCGC00162241-09; SMR001233164; 6-methylamino-9-beta-D-ribofuranosyl-Purine; SW196617-3; 6-methylamino-9-beta-delta-ribofuranosyl-Purine; F12902; Purine, 6-methylamino-9-beta-D-ribofuranosyl-; J-700317; Q6951996; BRD-K81807412-001-03-1; (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]tetrahydrofuran-3,4-diol"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	281.27	3	C11H15N5O4	126	349	-0.4	20	4	8	CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	"InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1"	VQAYFKKCNSOZKM-IOSLPCCCSA-N
DG01808	Heliox	123812	"Heliox; helium;molecular oxygen; 58933-55-4; Helium, mixed with oxygen; Helium-oxygen mixture; Helium:oxygen mixture; Compressed gas, N.O.S.; Oxygen mixture with helium; Oxygen, mixed with helium; Heliox gas; Helium oxygen gas; Heliox, hyperbaric; Helium, mixt. with oxygen; Compressed gas, N.O.S. (helium, oxygen) gas; 70356-00-2"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	36.001	0	HeO2	34.1	0	.	3	0	2	[He].O=O	InChI=1S/He.O2/c;1-2	GWUAFYNDGVNXRS-UHFFFAOYSA-N
DG01809	Succinate	160419	"Succinate; Butanedioate; Succinate dianion; Butanedioic acid, ion(2-); 56-14-4; UNII-AJ326AG789; AJ326AG789; succ; monosuccinate; Butanedioate(2-); Succinate ion; succinate(2-); Succinate ion(2-); suc; Succinic acid, ion(2-); DTXSID4036772; CHEBI:30031; ANION STANDARD - SUCCINATE; STL302037; (-)OOC-CH2-CH2-COO(-); AKOS022140212; A802155; Q27104100"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	DR01246	116.07	1	C4H4O4-2	80.3	81.6	0.7	8	0	4	C(CC(=O)[O-])C(=O)[O-]	"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2"	KDYFGRWQOYBRFD-UHFFFAOYSA-L
DG01810	Tanshinone IIA	164676	"Tanshinone IIA; 568-72-9; Tanshinone II; Dan Shen Ketone; Tanshinone B; Tanshinon II; 1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione; UNII-4GPC9FQG6L; 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione; Phenanthro[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-; C19H18O3; 4GPC9FQG6L; MLS001048863; MFCD00238692; NSC686519; SMR000387068; 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g]benzofuran-10,11-dione; Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-; tanshinone II A; SR-01000758926; NSC 686518; tanshinone-IIA; HSDB 8104; Tanshinone centoA; Tanshinone 2-A; Tanshinone Iia ,(S); BSPBio_001597; BSPBio_002426; KBioGR_000317; KBioSS_000317; MLS006011834; SPECTRUM1505824; CHEMBL187266; cid_164676; SCHEMBL2026738; Tanshinone IIA (Tanshinone B); BDBM83922; KBio2_000317; KBio2_002885; KBio2_005453; KBio3_000633; KBio3_000634; DTXSID60205352; CHEBI:108595; Bio2_000317; Bio2_000797; HMS1361P19; HMS1791P19; HMS1989P19; HMS2089H08; HMS2270D15; HMS3402P19; HMS3656C11; NP474; BCP28199; HY-N0135; Tanshinone IIA, analytical standard; ZINC1650576; BBL028449; s2365; STK801917; Tanshinone IIA, >=97% (HPLC); AKOS004120032; AC-1440; CCG-207955; CCG-208275; NSC-686519; IDI1_034067; NCGC00095709-01; NCGC00095709-02; NCGC00095709-03; NCGC00095709-04; NCGC00095709-05; NCGC00095709-06; NCGC00095709-08; AS-16136; NCI60_031209; S594; NCGC00095709-02!TANSHINONE IIA; FT-0652880; N1846; SW220025-1; T2987; 568T729; A831217; Q-100654; SR-01000758926-2; SR-01000758926-4; SR-01000758926-5; BRD-K00141480-001-03-0; Q27187517; Phenanthro[1,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-; Tanshinone IIA, European Pharmacopoeia (EP) Reference Standard; Tanshinone IIA, United States Pharmacopeia (USP) Reference Standard; 1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione #; 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g]benzofuran-10,11-quinone; 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; 6,7,8,9-Tetrahydro-1,6,6-trimethylphenanthro[1,2-b]furan-10,11-dione"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	294.3	0	C19H18O3	47.3	509	4.3	22	0	3	CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C	"InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3"	HYXITZLLTYIPOF-UHFFFAOYSA-N
DG01811	Angiotensin II	172198	"ANGIOTENSIN II; 4474-91-3; Angiotensin II human; Hypertensin; Human angiotensin II; Angiotensin II (human); Giapreza; Ang II; 5-L-Isoleucineangiotensin II; Angiotensin II (mouse); 5-Isoleucine-angiotensin II; Asp-Arg-Val-Tyr-Ile-His-Pro-Phe; DRVYIHPF; 1-8-Angiotensin I; Ile(5)-angiotensin II; Isoleucine5-angiotensin II; UNII-M089EFU921; CHEBI:2719; ANG-(1-8)Octapeptide; isoleucine(5)-angiotensin II; CHEMBL408403; M089EFU921; 1-L-Aspasaginyl-5-L-valyl angiotensin octapeptide; Delivert; Angiotensin II (USAN); 11128-99-7; L-alpha-aspartyl-L-arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine; (2S,5S,8S,11S,14S,17S)-2-((1H-imidazol-5-yl)methyl)-17-amino-5-((S)-sec-butyl)-1-((S)-2-(((S)-1-carboxy-2-phenylethyl)carbamoyl)pyrrolidin-1-yl)-14-(3-((diaminomethylene)amino)propyl)-8-(4-hydroxybenzyl)-11-isopropyl-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazanonadecan-19-oic acid; N-(1-(N-(N-(N-(N-(N(2)-L-alpha-aspartyl-L-arginyl)-L-valyl)-L-tyrosyl)-L-isoleucyl)-L-histidyl)-L-prolyl)-L-phenylalanine; ANGIOTENSINII,HUMAN; Angiotensin II, human; Angiotensin II, ile(5)-; Angiotensin ii [INN:JAN]; Hypertensin II; Angiotensin 2; Angiotensin II, 5-L-isoleucine-; Delivert (TN); C50H71N13O12; Angiotensin II heavy; Ile5-angiotensin II; Angiotensin II (rat); Angiotensin II (9CI); ANGIOTENSIN II-HUMAN; Angiotensin II acetate salt; SCHEMBL1189; Angiotensin II (human type); Angiotensin II [Sar1 Ile8]; GTPL2504; LJPC-501; SCHEMBL9013957; SCHEMBL20502357; DTXSID30196288; CHEBI:131170; ty-10721; Angiotensin II (human type) (JAN); BDBM50228195; BDBM50236697; AKOS016010178; ZINC169676920; DB11842; H-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-OH; NCGC00167130-01; HY-13948; L-Phenylalanine, N-(1-(N-(N-(N-(N-(N2-L-alpha-aspartyl-L-arginyl)-L-valyl)-L-tyrosyl)-L-isoleucyl)-L-histidyl)-L-prolyl)-; Asp1-Arg2-Val3-Tyr4-Ile5-His6-Pro7-Phe8; C02135; C75211; D02014; DRVY-I*-HPF [I*= I(13C6,15N)]; A872469; Q412999; ANG-(1-8)Octapeptide, Hypertensin, 4474-91-3, Giapreza; Conalbumin (328-332), 1226776-54-0, RVPSL peptide; ProteoMass(TM) Angiotensin II MALDI-MS Standard, vial of 10 nmol; (3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}propanoic acid; Alanine, N-(1-(N-(N-(N-(N-(N2-L-alpha-aspartyl-L-arginyl)-L-valyl)-L-tyrosyl)-L-isoleucyl)-L-histidyl)-L-prolyl)-3-phenyl-, L-; L-phenylalanine, L-alpha-aspartyl-L-arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2719	.	.	.	1046.2	29	C50H71N13O12	409	1980	-1.7	75	13	15	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N	"InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1"	CZGUSIXMZVURDU-JZXHSEFVSA-N
DG01812	Anisomycin	253602	"Anisomycin; 22862-76-6; Flagecidin; (-)-Anisomycin; TCMDC-125504; (2R,3S,4S)-4-hydroxy-2-(4-methoxybenzyl)pyrrolidin-3-yl acetate; Upjohn 204t3; UNII-6C74YM2NGI; (2R,3S,4S)-2-(p-Methoxybenzyl)-3,4-pyrrolidinediol 3-acetate; NSC76712; NSC 76712; NSC-76712; Anisomycin from Streptomyces griseolus; 2-(p-Methoxybenzyl)-3,4-pyrrolidinediol 3-acetate; 6C74YM2NGI; 1,4,5-Trideoxy-1,4-imino-5-(p-methoxyphenyl)-D-xylo-pentitol 3-acetate; [(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate; MLS001066392; Anisomycin,streptomyces griseolus; CHEBI:338412; (2R,3S,4S)-2-[(4-Methoxyphenyl)methyl]-3,4-pyrrolidinediol 3-acetate; MFCD00077650; SMR000471874; 3,4-Pyrrolidinediol, 2-[(4-methoxyphenyl)methyl]-, 3-acetate,(2R,3S,4S)-; 2-p-Methoxyphenylmethyl-3-acetoxy-4-hydroxypyrrolidine; (2R,3S,4S)-2-((4-Methoxyphenyl)methyl)-3,4-pyrrolidinediol 3-acetate; 3,4-Pyrrolidinediol, 2-((4-methoxyphenyl)methyl)-, 3-acetate, (2R,3S,4S)-; 3,4-Pyrrolidinediol, 2-[(4-methoxyphenyl)methyl]-, 3-acetate, (2R,3S,4S)-; ANM; Antibiotic PA-106; NSC 147340; SR-01000597397; GNF-Pf-4549; Wuningmeisu C; (2R,3S,4S)-2-(p-Methoxyphenylmethyl)-3-acetoxy-4-hydroxypyrrolidine; 6185-RBK-10; (-) Anisomycin; EINECS 245-269-7; BRN 0020705; Spectrum_001534; AI3-50846; Prestwick3_000412; Spectrum2_000632; Spectrum4_000748; Spectrum5_001495; 2-[(4-Methoxyphenyl)methyl]-3,4-pyrrolidinediol 3-acetate; CBiol_002064; BSPBio_000364; BSPBio_001436; KBioGR_001076; KBioSS_002014; ZINC954; 5-21-05-00523 (Beilstein Handbook Reference); DivK1c_000855; SPECTRUM1503906; SPBio_000624; (2R,3S,4S)-2-(4-Methoxybenzyl)-3,4-pyrrolidinediol-3-acetate; BPBio1_000402; CHEMBL423192; cid_253602; SCHEMBL2270183; DTXSID5040966; BDBM63919; HMS502K17; KBio1_000855; KBio2_002014; KBio2_004582; KBio2_007150; NINDS_000855; Bio1_000350; Bio1_000839; Bio1_001328; HMS1922K06; HMS2096C06; HMS2231E05; HMS3267L11; HMS3414L17; HMS3678L15; CCG-39185; (2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl acetate; AKOS015916532; CS-4981; DB07374; SDCCGMLS-0066810.P001; 3,4-Pyrrolidinediol, 2-((4-methoxyphenyl)methyl)-, 3-acetate, (2R-(2alpha,3alpha,4beta))-; IDI1_000855; QTL1_000009; NCGC00025097-02; NCGC00025097-03; NCGC00025097-04; 3,4-Pyrrolidinediol, 2-((4-methoxyphenyl)methyl)-, 3-acetate, (2R-(2-alpha,3-alpha,4-beta))-; AC-35125; AS-44380; HY-18982; NCI60_041689; AB00513833; B6674; A-7940; A927918; Anisomycin, Antibiotic for Culture Media Use Only; Q378498; SR-01000597397-1; SR-01000597397-3; BRD-K91370081-001-04-6; BRD-K91370081-001-17-8; 3, 2-(p-methoxybenzyl)-, 3-acetate, (2S,3R,4R)-; Anisomycin from Streptomyces griseolus, >=98% (HPLC), solid; (2R,3S,4S)-2-(4-Methoxybenzyl)-3,4-pyrrolidinediol 3-Acetate; (2R,3S,4S)-4-Hydroxy-2-(4-methoxybenzyl)-3-pyrrolidinyl acetate; acetic acid [(2R,3S,4S)-4-hydroxy-2-p-anisyl-pyrrolidin-3-yl] ester; [(2R,3S,4S)-2-[(4-methoxyphenyl)methyl]-4-oxidanyl-pyrrolidin-3-yl] ethanoate; 3, 2-[(4-methoxyphenyl)methyl]-, 3-acetate, [2S-(2.alpha.,3.alpha.,4.beta.)]-; 3,4-Pyrrolidinediol, 2-(p-methoxybenzyl)-, 3-acetate, (2S,3R,4R)- (8CI); acetic acid [(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]-3-pyrrolidinyl] ester; [[4-[2-[[(3-Ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)carbonyl]amino]ethyl]phenyl]sulfonyl]carbamicacidethylester; 11023-48-6"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB07374	.	.	265.3	5	C14H19NO4	67.8	302	0.9	19	2	5	CC(=O)O[C@@H]1[C@H](CN[C@@H]1CC2=CC=C(C=C2)OC)O	"InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1"	YKJYKKNCCRKFSL-RDBSUJKOSA-N
DG01813	Alpha-solanine	262500	"SOLANINE; alpha-Solanine; a-solanine; 20562-02-1; .alpha.-Solanine; (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-Hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17S,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol; 2-[5-Hydroxy-6-(hydroxymethyl)-2-[(10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl)oxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol; SCHEMBL2380177; CHEMBL1975187; NSC96019; NSC-96019; NCI60_042141; FT-0645058; Q373791"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	868.1	8	C45H73NO15	241	1590	1.8	61	9	16	CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C	"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3"	ZGVSETXHNHBTRK-UHFFFAOYSA-N
DG01814	Cisplatinum	441203	"Cis-Platin; cis-DDP; Cisplatine; Cisplatino; Cisplatinum; Lederplatin; Briplatin; Cismaplat; Neoplatin; Platamine; Platinex; Randa; trans-platin; cis-Dichlorodiammineplatinum(II); Peyrone's salt; cis-Diamminedichloroplatinum; Peyrone's chloride; trans-Platinum(II) ammonium chloride; cis-[PtCl2(NH3)2]; trans-Dichlorodiammine platinum; trans-Platinumdiammine dichloride; CHEBI:27899; CHEBI:35852; TRANS-DIAMMINEDICHLOROPLATINUM; trans-Platinum(II) diamminedichloride; trans-DDP, 8; Cisplatin, 1; Epitope ID:194799; Epitope ID:194800; BDBM92386; cis-diamminedichloridoplatinum(II); (SP-4-1)-diamminedichloroplatinum; (SP-4-2)-diamminedichloroplatinum; trans-diamminedichloridoplatinum(II); (SP-4-1)-diamminedichloridoplatinum; (SP-4-2)-diamminedichloridoplatinum; AKOS025117566; DB00515; EU-0100918"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB12117	DR0332	DR00291	300.05	0	Cl2H6N2Pt+2	2	7.6	.	5	2	2	N.N.Cl[Pt+2]Cl	InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+4/p-2	BSJGASKRWFKGMV-UHFFFAOYSA-L
DG01815	5-Ethynyl-2'-deoxyuridine	472172	"5-Ethynyl-2'-deoxyuridine; 61135-33-9; 2'-Deoxy-5-ethynyluridine; 5-Ethynyl-2'-dU; Uridine, 2'-deoxy-5-ethynyl-; UNII-G373S00W2J; EdU (5-ethynyl-2'-deoxyuridine); G373S00W2J; MFCD01675687; 5-ethynyl-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione; 5'-Ethynyl-2'-deoxyuridine; 5-Ethynyl-dUrd; 5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione; 5-Ethynyl-dU; EDU; BRN 0756841; 5-EdU; 2'deoxy-5-ethynyluridine; EdU (ethynyldeoxyuridine); SCHEMBL868882; CHEMBL222932; DTXSID20976652; ZINC3794605; s1661; AKOS024462948; 5-Ethynyl-2'-deoxy-uridine (5-EdU); AC-32360; AS-59368; HY-118411; CS-0065850; C75857; 5-Ethynyl-2'-deoxyuridine, (EdU), AldrichCPR; J-700091; J-700347; Q4639590; 1-(2-Deoxypentofuranosyl)-5-ethynyl-4-hydroxypyrimidin-2(1H)-one; 5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione; 5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	252.22	3	C11H12N2O5	99.1	463	-1.3	18	3	5	C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O	"InChI=1S/C11H12N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h1,4,7-9,14-15H,3,5H2,(H,12,16,17)/t7-,8+,9+/m0/s1"	CDEURGJCGCHYFH-DJLDLDEBSA-N
DG01816	Piperlongumine	637858	"Piperlongumine; Piplartine; 20069-09-4; Piperlongumin; UNII-SGD66V4SVJ; (E)-1-(3-(3,4,5-trimethoxyphenyl)acryloyl)-5,6-dihydropyridin-2(1H)-one; PPLGM; CHEBI:8241; SGD66V4SVJ; MFCD00075706; 1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one; 1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1,2,5,6-tetrahydropyridin-2-one; 5,6-Dihydro-1-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-2(1H)-pyridinone; BRD2293; Piplartin; BRD-2293; 2(1H)-Pyridinone, 5,6-dihydro-1-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-; (E)-1-[3-(3,4,5-Trimethoxyphenyl)acryloyl]-5,6-dihydropyridin-2(1H)-one; 5,6-Dihydro-1-(1-oxo-3-[3,4,5-trimethoxyphenyl]-trans-2-propenyl)-2[1H]-pyridinone; 5,6-Dihydro-1-[1-oxo-3-(3,4,5-trimethoxyphenyl)-trans-2-propenyl]-2(1H)-pyridinone; Piplartine;PPLGM; Prestwick_399; FERROUSFLUOBORATE; ST079382; Prestwick2_000604; Prestwick3_000604; Piperlongumine; Piplartine; BSPBio_000508; MLS002153903; SCHEMBL173092; SPECTRUM1505135; BPBio1_000560; CHEMBL465843; SCHEMBL2465593; 1-[3-(3,4,5-Trimethoxy-phenyl)-acryloyl]-5,6-dihydro-1H-pyridin-2-one; ACon1_001541; CHEBI:92424; HMS1569J10; HMS2096J10; HMS2234K24; Piperlongumine, >=97% (HPLC); ZINC899053; BCP13030; EX-A2925; HY-N2329; 2659AH; BDBM50462013; NSC794671; s7551; AKOS024284776; CCG-214375; NSC-794671; 2(1H)-Pyridinone, 5,6-dihydro-1-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-, (E)-; NCGC00096028-01; NCGC00096028-02; NCGC00096028-03; NCGC00096028-04; NCGC00096028-14; AC-32683; AS-74140; BP-25401; LS-14579; SMR001233252; CS-0021113; P2361; A14124; A920539; SR-01000841248; A1-00162; J-012992; N-(3,4,5-Trimethoxycinnamoyl)-D3-piperidin-2-one; Q7197361; SR-01000841248-2; BRD-K24132293-001-05-3; BRD-K24132293-001-09-5; BRD-K24132293-001-16-0; 5,6-Dihydro-1-(3,4,5-trimethoxycinnamoyl)-2(1H)-pyridinone; 1-[(2E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoyl]-5,6-dihydro-2(1H)-pyridinone #; 1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-5,6-dihydropyridin-2(1H)-one; 5,6-Dihydro-1-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-2(1H)-pyridinone, 9CI; 5,6-dihydro-1-[1-oxo-3-(3,4,5-triMethoxyphenyl)-allyl]-2(1H)-pyridinone; Prop-2-en-1-one, 3-(3,4,5-trimethoxyphenyl)-1-(2,3-dihydropyridin-6(1H)-one-1-yl)-; (2E)-1-(1,2,5,6-Tetrahydro-2-oxopyridine-1-yl)-3-(3,4,5-trimethoxyphenyl)-2-propene-1-one"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	CHEBI:8241	.	.	.	317.34	5	C17H19NO5	65.099	473	2.1	23	0	5	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	"InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+"	VABYUUZNAVQNPG-BQYQJAHWSA-N
DG01817	Isoliquiritigenin	638278	"Isoliquiritigenin; 961-29-5; 2',4,4'-Trihydroxychalcone; (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; 4,2',4'-Trihydroxychalcone; 6'-deoxychalcone; 2',4',4-Trihydroxychalcone; isoliquirtigenin; UNII-B9CTI9GB8F; C15H12O4; Chalcone, 2',4,4'-trihydroxy-; B9CTI9GB8F; 13745-20-5; 42'4'-trihydroxychalcone; 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one; (2E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (2E)-; Acrylophenone, 2',4'-dihydroxy-3-(p-hydroxyphenyl)-; CHEMBL129795; GU17; 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; CHEBI:310312; (E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one; trans-2',4,4'-trihydroxychalcone; 2-PROPEN-1-ONE, 1-(2,4-DIHYDROXYPHENYL)-3-(4-HYDROXYPHENYL)-; MFCD00075907; (E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenone; 1060-19-1; (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propene-1-one; GU 17; GU-17; SMR000112969; CCRIS 7676; SR-01000075499; EINECS 237-316-5; BRN 1914295; Isoliquiritigen; iso-Liquiritigenin; ILTG; ISLQ; Isoliquiritigenin, powder; Spectrum5_000612; (2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one; 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (E)-; Lopac0_000681; BSPBio_003411; 1-08-00-00707 (Beilstein Handbook Reference); MLS000438943; MLS002207240; MLS006010045; BIDD:ER0235; SCHEMBL161168; SPECTRUM1504200; cid_638278; MEGxp0_001326; 2',4,4'-Trihydroxy-Chalcone; DTXSID2022466; 2'',4'',4-trihydroxychalcone; 2'',4,4''-trihydroxychalcone; ACon1_000047; CHEBI:94010; BCPP000201; HMS2233H18; HMS3262I03; 2,4''-dihydroxy-4-hydroxychalcone; BCP02312; HY-N0102; ZINC3869608; Tox21_500681; BDBM50042944; CCG-40334; CMLD3_000056; LMPK12120096; s2404; 2',4,4'-Trihydroxychalcone, 97%; Isoliquiritigenin, analytical standard; AKOS001590146; BCP9000795; CS-1745; DB03285; KS-5256; LP00681; MCULE-1557671934; SDCCGMLS-0066751.P001; SDCCGSBI-0050660.P004; NCGC00090504-01; NCGC00090504-02; NCGC00090504-03; NCGC00090504-04; NCGC00090504-05; NCGC00090504-06; NCGC00090504-07; NCGC00090504-08; NCGC00090504-24; NCGC00261366-01; AC-33981; O271; EU-0100681; I0822; N1288; SW219658-1; C08650; I 3766; I11575; 961I295; A845551; NCGC00090504-04!2',4,4'-Trihydroxychalcone; 2',4'-Dihydroxy-3-(p-hydroxyphenyl)-Acrylophenone; Q-100904; Q3155537; SR-01000075499-1; SR-01000075499-5; BRD-K33583600-001-03-9; BRD-K33583600-001-04-7; 1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenone; 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-prop-2-en-1-one; (E)-1-[2,4-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB03285	.	.	256.25	3	C15H12O4	77.8	331	3.2	19	3	4	C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O	"InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+"	DXDRHHKMWQZJHT-FPYGCLRLSA-N
DG01818	Protirelin	638678	"Protirelin; Thyroliberin; 24305-27-9; Lopremone; Thyrotropin-releasing hormone; Thyrotropin releasing hormone; Rifathyroin; Synthetic TRH; Thypinone; TSH-releasing factor; TSH-releasing hormone; Thyrotropin-releasing factor; Thyrotropic-releasing factor; Thyrotropic releasing hormone; 5-Oxo-L-prolyl-L-histidyl-L-prolinamide; TRH; Abbott 38579; Thyroid releasing hormone; Thyrotropin-ReleasingHormone; Synthetic tsh-releasing factor; Synthetic tsh-releasing hormone; ABBOTT-38579; L-Pyroglutamyl-L-histidyl-L-prolineamide; UNII-5Y5F15120W; C16H22N6O4; Protirelin tartrate; FDA 1725; Protirelina; Ro 8-6270/9; L-Prolinamide, 5-oxo-L-prolyl-L-histidyl-; 11096-37-0; 117217-40-0; CHEBI:35940; 24305-27-9 (free base); L-Pyroglutamyl-L-histidyl-L-prolinamide; 5Y5F15120W; Synthetic thyrotropin-releasing hormone; (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide; NCGC00160616-01; L-Pyroglutamyl-L-histidinyl-L-prolinamide; A-38579; (S)-N-((S)-1-((S)-2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide; THYREL TRH; Protireline; Protirelinum; TRF; Protireline [INN-French]; Protirelinum [INN-Latin]; Protirelina [INN-Spanish]; Thyrothropin relasing hormone; Thyrefact; CCRIS 2593; trh-sr; Synthetic TRF; Relefact TRH; Relefact-TRH; NSC-760113; Protirelin [USAN:INN:BAN:JAN]; Stimu-TSH; Thyrotropin-releasing factor (pig); EINECS 246-143-4; PR 546; PR-546; Protirelin, synthetic; pGlu-His-Pro-NH2; Relefact TRH (TN); HOLO-TRANSFERRIN; PyroGlu-His-prolinamide; TSH-RF; 5-oxo-pro-his-pro-nh2; DSSTox_CID_3533; CHEMBL1472; DSSTox_RID_77067; DSSTox_GSID_23533; SCHEMBL33419; Thyrotrophin releasing hormone; [3H]-TRH; GTPL2139; GTPL3836; pyroglutamyl-histidyl-prolinamide; DTXSID0023533; Protirelin (JP17/USAN/INN); SCHEMBL19825647; [3H]TRH (human, mouse, rat); [3H]-thyrotropin-releasing hormone; BCP12450; HY-P0002; Thyrotropic hormone-releasing factor; ZINC4096261; Synthetic thyrotopin releasing factor; Thyrotropic hormone-releasing hormone; Tox21_111939; BDBM50072394; s4680; Synthetic thyrotropin-releasing factor; Thyrotrophic hormone releasing hormone; AKOS015994636; CCG-268193; DB09421; HS-2023; NSC 760113; L-Pyroglutamyl-L-histidyl-L-proline amide; CAS-24305-27-9; Thyroid-stimulating hormone-releasing factor; C03958; C74244; D00176; Prolinamide, 5-oxo-L-prolyl-L-histidyl-, L-; (Pyro)-L-glutamic acid-L-histidine-L-proline-NH2; 305T279; A858244; Q24726011; Thyrotropin releasing hormone, >=98% (HPLC), powder; Prolinamide, 1-[N-(5-oxo-L-prolyl)-L-histidyl]-, L-; Protirelin, European Pharmacopoeia (EP) Reference Standard; Thyrotropin releasing hormone, powder, gamma-irradiated, cell culture tested; Thyroliberin;Lopremone;Synthetic TRH;Thyrotropin-releasing hormone; Rifathyroin; (2S)-N-[(1S)-2-[(2S)-2-carbamoylpyrrolidino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-5-keto-pyrrolidine-2-carboxamide; (2S)-N-[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-5-oxidanylidene-pyrrolidine-2-carboxamide; (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide; (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide; (S)-N-((S)-1-((S)-2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide; 1-(3-(1H-Imidazol-5-yl)-2-([(5-oxo-2-pyrrolidinyl)carbonyl]amino)propanoyl)-2-pyrrolidinecarboxamide #; 1-[3-(1H-4-imidazolyl)-2-(5-oxotetrahydro-1H-2-pyrrolylcarboxamido)propanoyl]tetrahydro-1H-2-pyrrolecarboxamide; 2-Pyrrolidinecarboxamide, N-[1-[(2-carbamoyl-1-pyrrolidinyl)carbonyl]-2-imidazol-4-ylethyl]-5-oxo-,; 2-Pyrrolidinecarboxamide, N-[1-[(2-Carbamoyl-1-pyrrolidinyl)carbonyl]-2-imidazol-4-ylethyl]-5-oxo-, (S,S,S)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:35940	.	DR2128	.	362.38	6	C16H22N6O4	150	597	-2.5	26	4	5	C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CCC(=O)N3)C(=O)N	"InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1"	XNSAINXGIQZQOO-SRVKXCTJSA-N
DG01819	Gonadorelin	638793	"GONADORELIN; Luliberin; 33515-09-2; LH-Releasing hormone; LH-Releasing factor; Gonadorelina; Gonadorelinum; Luteostimulin; Fertagyl; Hypocrine; Gonadotropin-releasing factor; Luteinizing hormone-releasing factor; Gonadotropin-releasing hormone; Gonadoliberin I; Gonadorelin hydrochloride; Human gonadoliberin-i; GnRH-I; UNII-9O7312W37G; GnRH; 5-oxo-PHWSYGLRPGNH2; p-Glu-His-Trp-Ser-Tyr-Gly-Leu-Arg-Pro-Gly-NH2; 9034-40-6; LH-RH; CHEBI:5520; Dirigestran; Gonadotropin-releasing hormone I; 9O7312W37G; Follicle-stimulating hormone-releasing factor; Luteinizing Hormone Releasing Hormone (LHRH); AY-24031; Gn-RH; Luforan; Lutrefact; Nialutin; Relefact; Lutal; Relisorm l; Mammalian GnRH; LH-FSH Releasing Hormone; Synthetic LRF; Dirigestran Spofa; Synthetic Gn-RH; Mammalian LH-RH; Synthetic LH-RF; Synthetic LH-RH; Porchine LH-RH; 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosylglycyl-L-leucyl-L-arginyl-L-prolylglycinamide; LRF; Human LH-RH; Ovine LH-RH; LH-RH (swine); Synthetic gonadoliberin; Synthetic LH-FSH-RH; LH-RF; Gonadorelin [INN:BAN]; 71447-49-9; Synthetic LH-RH/FSH-RH; Gonadorelinum [INN-Latin]; LH-Releasing factor (pig); Porcine LH-releasing factor; Gonadorelina [INN-Spanish]; Synthetic LH-releasing factor; Synthetic LH-releasing hormone; LH-Releasing hormone (porcine); Luteinizing hormone-releasing factor (swine); Synthetic decapeptide FSH/LH-RH; HOE 471; Fertagyl (TN); Synthetic LH-FSH releasing hormone; Ovine gonadotropin-releasing hormone; EINECS 232-895-0; EINECS 251-553-1; Gonadorelin (INN); Gonadorelin decapeptide; Mammalian gonadotropin-releasing hormone; Synthetic gonadotropin-releasing hormone; AY 24031; AY 24034; Luteinizing hormone-releasing factor (pig); Luteinizing hormone-releasing factor (rat); Gonadotropin, pituitary luteinizing hormone; Luteinizing hormone-releasing factor (human); Luteinizing hormone-releasing factor (sheep); Luteinizing hormone-releasing hormone (swin); Synthetic gonadotropic hormone-releasing hormone; CHEMBL1007; Gonadotropin,luteinizing hormone-releasing hormone; Follicle-stimulating hormone-releasing factor (pig); SCHEMBL143114; Synthetic LH-releasing hormone/FSH-releasing hormone; [125I]-GnRH I; GTPL3786; DTXSID20873490; Gonadotropin, luteinizing hormone-releasing hormone, synthetic; BDBM50422274; AKOS015895122; AKOS030213247; CCG-270650; HS-2014; [125I]GnRH I (human, mouse, rat); [125I]-gonadotropin-releasing hormone I; Glycinamide, 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosylglycyl-L-leucyl-L-arginyl-L-prolyl-; A1147; Luteinizing hormone-areleasing factor (swine); D08027; pGlu-His-Trp-Ser-Tyr-Gly-Leu-Arg-Pro-GlyNH2; 515G092; A837181; pGlu-His-Trp-Ser-Tyr-Gly-Leu-Arg-Pro-Gly-NH(2); Q20817116; Luteinizing hormone releasing hormone human acetate salt (LHRH); L-Pyroglutamyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosylglycyl-L-leucyl-L-arginyl-L-prolylglycinamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5520	DB00644	.	.	1182.3	31	C55H75N17O13	475	2390	-2.4	85	16	15	CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6	"InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1"	XLXSAKCOAKORKW-AQJXLSMYSA-N
DG01820	Cardamonin	641785	"Cardamonin; 19309-14-9; 18956-16-6; CARDAMOMIN; Alpinetin chalcone; Dihydroxymethoxychalcone; 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one; 2',4'-dihydroxy-6'-methoxychalcone; (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one; UNII-H8KP1OJ8JX; 2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-, (2E)-; H8KP1OJ8JX; CHEMBL378104; (E)-1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-2-propen-1-one; (E)-Cardamonin; (2E)-1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-2-propen-1-one; (E)-1-(2,4-Dihydroxy-6-methoxy-phenyl)-3-phenyl-propenone; (E)-1-(2,4-dihydroxy-6-methoxy-phenyl)-3-phenyl-prop-2-en-1-one; Cardamoni; (E)-Cardamoni; Cardamonin ,(S); 2'4'-Dihydroxy-6'-methoxy-chalcone; MLS000876992; SCHEMBL449220; MEGxp0_000534; Cardamonin, >=98% (HPLC); ACon1_000221; CHEBI:125601; CHEBI:186253; HMS2271N04; 2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-; HY-N0279; ZINC4716487; BDBM50185446; LMPK12120245; MFCD00238554; s3867; AKOS015896716; CCG-208127; DB14122; MCULE-6098713539; NCGC00180767-01; AC-34864; DS-15713; SMR000440601; B7085; CS-0008777; W1234; 309C149; A813330; J-012229; Q-100234; Q5038242; BRD-K61559475-001-01-0; 1-(2\\',4\\'-Dihydroxy-6\\'-methoxy-phenyl)-3-phenyl-propenone; (2E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one; NCGC00180767-02!(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB14122	.	.	270.28	4	C16H14O4	66.8	346	3.5	20	2	4	COC1=CC(=CC(=C1C(=O)/C=C/C2=CC=CC=C2)O)O	"InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+"	NYSZJNUIVUBQMM-BQYQJAHWSA-N
DG01821	IWP 4	2155264	"686772-17-8; IWP-4; IWP 4; wnt inhibitor iwp-4; 2-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide; CHEMBL1257090; N-(6-Methyl-2-benzothiazolyl)-2-[(3,4,6,7-tetrahydro-3-(2-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl)thio]-acetamide; N-(6-Methylbenzo[d]thiazol-2-yl)-2-(3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-ylthio)acetamide; Inhibitor of Wnt Production-4; SCHEMBL12571760; C26H29ClN2O4S.H3PO4; EX-A2455; ZINC2719825; BDBM50428027; MFCD04457754; AKOS024584894; MCULE-3532196300; IWP-4, >=95% (HPLC); NCGC00387247-04; 2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide; AC-33202; AS-35152; BI162786; HY-12879; CS-0012738; EU-0088918; AB00668741-01; F0579-0237; N-[2-[[[3-(4-Chlorophenyl)-2-propen yl]methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4 -methoxybenzenesulphonamide phosphate"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	496.6	6	C23H20N4O3S3	163	851	4.8	33	1	8	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5OC)SCC4	"InChI=1S/C23H20N4O3S3/c1-13-7-8-14-18(11-13)33-22(24-14)26-19(28)12-32-23-25-15-9-10-31-20(15)21(29)27(23)16-5-3-4-6-17(16)30-2/h3-8,11H,9-10,12H2,1-2H3,(H,24,26,28)"	RHUJMHOIQBDFQR-UHFFFAOYSA-N
DG01822	Quercetin	5280343	"Quercetin; 117-39-5; Meletin; Sophoretin; Quercetine; Xanthaurine; Quercetol; Quertine; 3,3',4',5,7-Pentahydroxyflavone; Quercitin; 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one; Flavin meletin; 3,5,7,3',4'-Pentahydroxyflavone; Cyanidelonon 1522; T-Gelb bzw. grun 1; Quertin; C.I. Natural Yellow 10; Quercetin content; Kvercetin; C.I. Natural red 1; C.I. 75670; 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one; 3',4',5,7-Tetrahydroxyflavan-3-ol; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-; C.I. Natural yellow 10 & 13; Cyanidenolon 1522; NSC 9219; CCRIS 1639; HSDB 3529; Flavone, 3,3',4',5,7-pentahydroxy-; NCI-C60106; UNII-9IKM0I5T1E; 3',4',5,7-tetrahydroxyflavon-3-ol; 3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on; CHEBI:16243; AI3-26018; NSC9219; CHEMBL50; MFCD00006828; 9IKM0I5T1E; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one; 2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one; NSC-9219; Ericin; Kvercetin [Czech]; Natural Yellow 10; DSSTox_CID_1218; CI Natural Yellow 10; DSSTox_RID_76017; DSSTox_GSID_21218; QUE; BRD9794; BRD-9794; CAS-117-39-5; NSC57655; NSC58588; NSC-57655; SR-01000076098; EINECS 204-187-1; MixCom3_000183; BRN 0317313; Lipoflavon; CI 75670; Korvitin; Ritacetin; Quer; 4dfu; 4mra; Quercetin2H2O; KUC104418N; KUC107684N; 3,3',4,5,7-Pentahydroxyflavone; Quercetin-[d3]; LIM-5662; LNS-5662; TNP00070; TNP00089; 3'-hydroxykaempferol; KSC-23-76; Quercetin_sathishkumar; KSC-10-126; Quercetin (Sophoretin); Quercetin - Sophoretin; Spectrum_000124; Tocris-1125; 3cf8; BiomolKI_000062; Maybridge1_008992; Prestwick0_000507; Prestwick1_000507; Prestwick2_000507; Prestwick3_000507; Spectrum2_000059; Spectrum3_000642; Spectrum4_000807; Spectrum5_001389; Lopac-Q-0125; P0042; C.I. natural yellow 13; BiomolKI2_000068; Enicostemma Littorale Blume; UPCMLD-DP081; Q 0125; NCIOpen2_007628; NCIOpen2_007882; BIDD:PXR0007; Lopac0_000999; SCHEMBL19723; BSPBio_000433; BSPBio_001068; BSPBio_002243; KBioGR_000408; KBioGR_001293; KBioSS_000408; KBioSS_000584; 5-18-05-00494 (Beilstein Handbook Reference); MLS006011766; BIDD:ER0315; DivK1c_000485; SCHEMBL219729; SPECTRUM1500672; CU-01000012502-3; SPBio_000217; SPBio_002354; BDBM7460; BPBio1_000477; GTPL5346; MEGxp0_000381; SGCUT00001; 3,4',5,7-Pentahydroxyflavone; DTXSID4021218; NIOSH/LK8760000; UPCMLD-DP081:001; ACon1_000560; HMS501I07; KBio1_000485; KBio2_000408; KBio2_000584; KBio2_002976; KBio2_003152; KBio2_005544; KBio2_005720; KBio3_000775; KBio3_000776; KBio3_001463; 3,7,3',4'-Pentahydroxyflavone; NINDS_000485; 3',5,7-Tetrahydroxyflavan-3-ol; 3,5,7-trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one; Bio1_000369; Bio1_000858; Bio1_001347; Bio2_000374; Bio2_000854; HMS1362F09; HMS1792F09; HMS1923O19; HMS1990F09; HMS3263G19; HMS3267M12; HMS3414J21; HMS3649D04; HMS3656C15; HMS3678J19; to_000078; ZINC3869685; 3,5,7,3',4'-Pentahydroxyflavon; Tox21_202308; Tox21_300285; Tox21_500999; BBL005513; CCG-40054; Ci-75670; Flavone,3',4',5,7-pentahydroxy-; LMPK12110004; NSC 57655; NSC324608; NSC756660; s2391; STK365650; Quercetin, >=95% (HPLC), solid; 3,4',5,5',7-pentahydroxy-Flavone; AKOS000511724; Quercetin 1000 microg/mL in Acetone; CS-3981; DB04216; DS-3416; LP00999; MCULE-2433372790; NSC-756660; SDCCGSBI-0050972.P003; IDI1_000485; IDI1_002129; LDN 0052529; LDN-0052529; SMP1_000252; Flavone, 3,4',5,5',7-pentahydroxy-; NCGC00015870-01; NCGC00015870-02; NCGC00015870-03; NCGC00015870-05; NCGC00015870-06; NCGC00015870-07; NCGC00015870-08; NCGC00015870-09; NCGC00015870-10; NCGC00015870-11; NCGC00015870-12; NCGC00015870-13; NCGC00015870-14; NCGC00015870-15; NCGC00015870-16; NCGC00015870-17; NCGC00015870-18; NCGC00015870-19; NCGC00015870-21; NCGC00015870-22; NCGC00015870-23; NCGC00015870-24; NCGC00015870-25; NCGC00015870-28; NCGC00015870-48; NCGC00015870-50; NCGC00025016-01; NCGC00025016-02; NCGC00025016-03; NCGC00025016-04; NCGC00025016-05; NCGC00025016-06; NCGC00025016-07; NCGC00025016-08; NCGC00168962-01; NCGC00168962-02; NCGC00168962-03; NCGC00168962-04; NCGC00254218-01; NCGC00259857-01; NCGC00261684-01; Quercetin 100 microg/mL in Acetonitrile; 74893-81-5; AC-19596; AC-29756; HY-18085; NCI60_042036; S295; SMR000112559; SY057722; (+)-3,3',4',5,7-Pentahydroxyflavone; Quercetin, Sophoretin, Meletin, Quercetine; EU-0100999; FT-0603318; FT-0655108; LK87600000; N1841; Q0025; SW148203-4; Quercetin; 3,3',4',5,7-Pentahydroxyflavone; 17Q395; C00389; K00029; S00057; WLN: T66 BO EVJ CR CQ DQ & DQ GQ IQ; Flavone, 3,3',4',5,7-pentahydroxy-, (+)-; Q409478; Q-200333; SR-01000076098-1; SR-01000076098-3; SR-01000076098-7; SR-01000076098-8; BRD-K97399794-001-02-1; BRD-K97399794-001-07-0; BRD-K97399794-001-09-6; BRD-K97399794-001-11-2; BRD-K97399794-335-03-1; SR-01000076098-11; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone;hydrate; 49643640-FD4C-4B93-BD28-0D7C2021CC52; 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one #; (+)-4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-; 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, zirconium(2+) salt (1:1)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16243	DB04216	DR2630	DR00225	302.23	1	C15H10O7	127	488	1.5	22	5	7	C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H"	REFJWTPEDVJJIY-UHFFFAOYSA-N
DG01823	Formononetin	5280378	"Formononetin; 485-72-3; Biochanin B; Formononetol; 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one; 7-Hydroxy-4'-methoxyisoflavone; 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one; Neochanin; 4'-O-methyldaidzein; Flavosil; 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-; UNII-295DQC67BJ; MFCD00016948; NSC 93360; 7-Hydroxy-3-(4-methoxyphenyl)chromone; CHEBI:18088; Isoflavone, 7-hydroxy-4'-methoxy-; NSC-93360; 295DQC67BJ; NSC93360; 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one; SMR000470932; SR-01000765510; EINECS 207-623-9; formononetine; Formonentin; Formoononetin; Myconate; Mycotech; 7-hydroxy-4'-methoxy-isoflavone; Formononetin,(S); Spectrum_000373; SpecPlus_000223; Daidzein 4-methyl ether; Spectrum2_000560; Spectrum3_000660; Spectrum4_001429; Spectrum5_000258; DSSTox_CID_2311; Formononetin (Formononetol); DSSTox_RID_76544; NCIOpen2_005983; DSSTox_GSID_22311; Oprea1_139748; Oprea1_815287; SCHEMBL62915; BSPBio_002299; KBioGR_001878; KBioSS_000853; SPECTRUM102007; MLS000697593; MLS006011897; BIDD:ER0119; DivK1c_006319; SPBio_000639; CHEMBL242341; 7-Hydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one; DTXSID4022311; Formononetin, analytical standard; KBio1_001263; KBio2_000853; KBio2_003421; KBio2_005989; KBio3_001519; HMS1922N18; HMS2231I04; HMS3369C07; HMS3655N22; ALBB-030789; BCP29929; Formononetin, >=99.0% (TLC); HY-N0183; TNP00176; Tox21_301848; BBL010458; BDBM50021398; CCG-38727; LMPK12050037; s2299; STK801612; ZINC18847036; AKOS000270811; AC-8001; DB15335; MCULE-4171151967; SDCCGMLS-0066428.P001; 7-hydroxy-4'-methoxy-Isoflavone (8CI); NCGC00017269-01; NCGC00017269-02; NCGC00017269-03; NCGC00017269-04; NCGC00017269-05; NCGC00017269-06; NCGC00017269-07; NCGC00095207-01; NCGC00095207-02; NCGC00095207-03; NCGC00178715-01; NCGC00255167-01; AS-11642; CAS-485-72-3; NCI60_042081; Isoflavone, 7-hydroxy-4'-methoxy- (8CI); Neochanin; Flavosil;NEOCHANIN;Formononetol; F0868; FT-0626540; FT-0632204; K-080; N1625; SW219915-1; C00858; AB00052676-07; 485F723; A827555; AE-641/01968055; Q408859; 7-hydroxy-3-(4-methoxyphenyl)-1-benzopyran-4-one; Q-100540; SR-01000765510-3; SR-01000765510-4; BRD-K55567017-001-02-4; BRD-K55567017-001-06-5; F3139-1207; 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one(9CI); 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)- (9CI); Formononetin, United States Pharmacopeia (USP) Reference Standard; 7-Hydroxy-3-(4-methoxyphenyl)chromone, 7-Hydroxy-4'-methoxyisoflavone; Biochanin B; Flavosil; Formononetol; NSC 93360; NSC93360; NSC-93360"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:18088	DB15335	.	DR00955	268.26	2	C16H12O4	55.8	395	2.8	20	1	4	COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O	"InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3"	HKQYGTCOTHHOMP-UHFFFAOYSA-N
DG01824	Mangostin	5281650	"Alpha-Mangostin; Mangostin; 6147-11-1; 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one; Mangostine; Alpha-Mangostin, 95%; a-Mangostin; NSC27593; NSC30552; NSC-30552; UNII-U6RIV93RU1; U6RIV93RU1; CHEMBL323197; CHEBI:67547; 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one; 1,3,6-trihydroxy-7-methoxy-2,8-diprenylxanthone; TNP00140; 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-9H-xanthen-9-one; MFCD00135200; 3,6,8-trihydroxy-2-methoxy-1,7-bis(3-methylbut-2-enyl)xanthen-9-one; 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9H-xanthen-9-one; 9H-Xanthen-9-one,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-; Xanthen-9-one,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-; 9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-; NSC 27593; NSC 30552; NSC 139154; Spectrum_001726; SpecPlus_000574; Spectrum2_001620; Spectrum3_001297; Spectrum4_001911; Spectrum5_000622; BSPBio_002933; KBioGR_002529; KBioSS_002206; BIDD:ER0576; DivK1c_006670; SCHEMBL354735; SPECTRUM1504015; SPECTRUM1505128; SPBio_001659; HSDB 8103; KBio1_001614; KBio2_002206; KBio2_004774; KBio2_007342; KBio3_002153; DTXSID00210420; 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3,3-dimethylallyl)xanthone; ACT09245; BCP13253; HY-N0328; ZINC5430812; alpha-Mangostin, >=98% (HPLC); 1,7-bis(3-methylbut-2-enyl)-3,6,8-trihydroxy-2-methoxyxanthen-9-one; BDBM50214969; CCG-36465; NSC-27593; NSC139154; s3804; 9H-Xanthen-9-one,1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-; AKOS015912806; AC-6089; CS-6435; DS-3359; MCULE-1080742368; NSC-139154; SDCCGMLS-0066796.P001; 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one; NCGC00017251-01; NCGC00017251-02; NCGC00017251-03; NCGC00017251-04; NCGC00017251-05; NCGC00095730-01; NCGC00095730-02; NCGC00095730-03; NCGC00178385-01; DB-053898; FT-0635997; M2793; N1590; N2590; W2645; 147M111; A833244; Q909638; SR-05000002649; Q-100010; SR-05000002649-1; BRD-K11991978-001-02-6; BRD-K11991978-001-03-4; 1,3,6-Trihydroxy-7-methoxy-2,8-di(3-methyl-2-butenyl)xanthone; 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9-xanthenone; 1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2-enyl)-xanthen-9-one; 2-methoxy-1,7-bis(3-methylbut-2-enyl)-3,6,8-tris(oxidanyl)xanthen-9-one; (c) paragraph sign-mangostin pound>>alpha-Mangostin; NSC 139154; NSC 27593; NSC 30552; 9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-; 9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)- (9CI); Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)- (8CI)"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:67547	.	.	.	410.5	5	C24H26O6	96.2	677	6.3	30	3	6	CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CC=C(C)C)O)C	"InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3"	GNRIZKKCNOBBMO-UHFFFAOYSA-N
DG01825	Morphine	5288826	"Morphine; Morphia; Morphium; Morphinum; Morphin; (-)-Morphine; Morphina; Ospalivina; DepoDur; 57-27-2; Duromorph; Meconium; Morphinism; Moscontin; MS Contin; l-Morphine; Dulcontin; Morfina; Nepenthe; Roxanol; MORPHINE SULFATE; Infumorph; Dreamer; Morpho; Avinza; Hocus; Kadian; Unkie; Cube juice; Hard stuff; Statex SR; Ms Emma; Morphin [German]; Morfina [Italian]; Duramorph; Morphina [Italian]; M-Eslon; Morphine [BAN]; CCRIS 5762; HSDB 2134; Anhydrous morphine; (5R,6S,9R,13S,14R)-4,5-Epoxy-N-methyl-7-morphinen-3,6-diol; UNII-76I7G6D29C; CHEBI:17303; CHEMBL70; (5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol; 4,5alpha-Epoxy-17-methyl-7-morphinen-3,6alpha-diol; 7,8-Didehydro-4,5-epoxy-17-methyl-morphinan-3,6-diol; (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL; Morphine Anhydrate; 76I7G6D29C; Morphine (BAN); Dolcontin; RMS; (5alpha,6alpha)-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol; Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-; Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, (5alpha,6alpha)-; (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol; methyl[ ]diol; Aguettant; Dinamorf; Sevredol; Dimorf; (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol; D-(-)-Morphine; 9H-9,9c-Iminoethanophenanthro(4,5-bcd)furan-3,5-diol, 4a,5,7a,8-tetrahydro-12-methyl-; EINECS 200-320-2; Oramorph; DEA No. 9300; (Morphine); Morphine anhydrous; N02AA01; Morphine polistirex; Substitol (TN); MOR; (-)-(etorphine); (-)Morphine sulfate; Morphine (anhydrous); Morfina Dosa (TN); NSC11441; Morphine extended release; Epitope ID:116646; SCHEMBL2997; BIDD:GT0147; GTPL1627; IDS-NM-009; DTXSID9023336; Morphine 0.1 mg/ml in Methanol; Morphine 1.0 mg/ml in Methanol; ZINC3812983; BDBM50000092; AKOS015966554; DB00295; MOI; C01516; D08233; Hydromorphone hydrochloride impurity, morphine-; Q81225; 7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol; UNII-1M5VY6ITRT component BQJCRHHNABKAKU-KBQPJGBKSA-N; 17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diol; 7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol(morphine); (5alpha,6beta)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol; 3-(4-Hydroxy-phenyl)-1-propyl-piperidine-3-carboxylic acid ethyl ester; 6-tert-Butyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine; (-)(5.alpha.,6.alpha.)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol; Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5..alpha.,6.alpha.)-; Morphine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; (1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol; (1S,5R,13R,14S,17R)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraene-10,14-diol; (1S,5R,13R,14S,17R)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18),15-tetraene-10,14-diol; (morphine) 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol; 2-{4-[2,4-diamino-6-pteridinylmethyl(methyl)amino]phenylcarboxamido}pentanedioic acid(morphine); 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol; 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol ; HydroChloride; 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol ;sulphate salt(morphine); 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol((Morphine)); 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(morphine sulfate); 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(morphine); 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine)(HCl); 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol,sulfate(Morphinesulfate); 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diolMorphine; 4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol; 4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol (morphine); 4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine); 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol(Morphine); 9H-9,9c-Iminoethanophenanthro(4,5-bcd)furan-3,5-diol, 4alpha,5,7alpha,8-tetrahydro-12-methyl-; MORPHINE; (5A,6A)-7,8-DIDEHYDRO-4,5-EPOXY-17-METHYLMORPHINIAN-3,6-DIOL; MORPHIUM; MORPHIA; DOLCONTIN; DUROMORPH; MORPHINA; NEPENTHE; Morphine;4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17303	DB00295	DR1112	DR00467	285.34	0	C17H19NO3	52.9	494	0.8	21	2	4	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O	"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1"	BQJCRHHNABKAKU-KBQPJGBKSA-N
DG01826	Andrographolide	5318517	"Andrographolide; 5508-58-7; Andrographis; UNII-410105JHGR; CHEBI:65408; (S,E)-4-Hydroxy-3-(2-((1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethylidene)dihydrofuran-2(3H)-one; 410105JHGR; 3alpha,14,15,18-tetrahydroxy-5b,9bH,10a-labda-8(20),12-dien-16-oic acid gamma-Lactone; (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one; 3-(2-(Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenenaphthyl)ethylidene)dihydro-4-hydroxyfuran-2(3H)-one; Andro; (1R-(1-alpha(E(S)),4abeta,5alpha,6alpha,8aalpha))-3-(2-(decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethylidene)dihydro-4-hydroxy-2(3H)-furanone; (3E,4S)-3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]ethylidene}-4-hydroxyoxolan-2-one; (3E,4S)-4-hydroxy-3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethylidene}dihydrofuran-2(3H)-one; HMPL-004; NSC383468; NSC-383468; NCGC00095597-01; EINECS 226-852-5; NSC 383468; Andrographolide, 98%; DSSTox_CID_25980; DSSTox_RID_81270; DSSTox_GSID_45980; HMPL004; BIDD:ER0530; CHEMBL186141; GTPL9675; MEGxp0_000978; DTXSID3045980; SCHEMBL12056309; ACon1_002113; ACT03252; Andrographolide, analytical standard; HY-N0191; ZINC3881797; Tox21_111508; BDBM50084419; MFCD07778082; AKOS015920075; CCG-208428; CS-3334; DB05767; MCULE-5521128905; NCGC00179817-01; NCGC00179817-02; 2(3H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, (3E,4S)-; AS-13637; CAS-5508-58-7; C20214; J10022; 508A587; A830479; Q-100624; Q4759444; BRD-K89282837-001-01-0; Andrographolide, United States Pharmacopeia (USP) Reference Standard; (3E)-3-[2-[(1R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethylidene]-4-hydroxy-tetrahydrofuran-2-one;Andrographolide; (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethylidene]-4-hydroxy-tetrahydrofuran-2-one; (5beta,9R,10alpha,14S)-3alpha,14,15,18-Tetrahydroxylabdane-8(20),12-diene-16-oic acid gamma-lactone; (S,E)-4-Hydroxy-3-(2-((1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethylidene)dihydrofuran-2; 2(3H)-Furanone, 3-(2-(decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethylidene)dihydro-4-hydroxy-, (1R-(1-alpha(E(S*)),4a-beta,5-alpha,6-alpha,8a-alpha))-; 2(3H)-Furanone,3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-,(3E,4S)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:65408	DB05767	.	.	350.4	3	C20H30O5	87	597	2.2	25	3	5	C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\\[C@@H](COC3=O)O)(C)CO)O	"InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1"	BOJKULTULYSRAS-OTESTREVSA-N
DG01827	Arsenic	5359596	"7440-38-2; Arsenic; As; ARSENIC METAL; UNII-V1I29R0RJQ; V1I29R0RJQ; Arsenic compounds; Agent SA; Arsenic, inorganic; HSDB 510; EINECS 232-066-3; UN2188; arsenico; arsenicum; arsenic atom; Arsenic lump; 33As; EC 232-066-3; CHEMBL1231052; DTXSID3023760; DTXSID4023886; CHEBI:27563; Arsenic, >=99.999%, pieces; Arsine [UN2188] [Poison gas]; 5482AF; AKOS015902733; LS41729; Arsenic, 99.999% trace metals basis; FT-0696579; C06269; Arsenic, powder, >=99.997% trace metals basis; Q21060492"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	DR0139	.	74.921	0	As	0	0	.	1	0	0	[As]	InChI=1S/As	RQNWIZPPADIBDY-UHFFFAOYSA-N
DG01828	Boron	5462311	"7440-42-8; B; Boron; Boron powder; UNII-N9E3X5056Q; N9E3X5056Q; MFCD00134034; Boron powder, crystalline; Boron, metallic; Boron and compounds; boro; Boron-elemental; Boron, elemental; Boron, Amorphous; 14798-13-1; HSDB 4482; EINECS 231-151-2; boracium; bore; boron atom; Boron Nanorods; Boron Chelate; Boron Nanopowder; Boron Nanoprisms; Boron Proteinate; Boron MicroPowder; Boron Nanoparticles; BORaN; Boron Micro Powder; 5B; Boron Citrate Blend; Boron Picolinate Blend; Boron powder, amorphous; Boron nitride nanoplates; Boron Krebs 5% 40M; Boron Nanorods Properties; Boron Glycinate 5% 40M; EC 231-151-2; Boron Trituration 1% 40M; Boron Nanoparticle Dispersion; Boron Nanoparticles Dispersion; Boron Nanopowder/Nanoparticles; boron citrate/aspartate/glycinate; Copper Sulfide Sputtering Target; DTXSID3023922; Hexagonal Boron Nitride crystals; Boron Nanoparticles / Nanopowder; Boron Nitride Nanotubes (BNNT); CHEBI:27560; Hexagonal Nitride Boron Nanoplates; MFCD00151272; AKOS015832923; AKOS030228749; Boron powder, crystalline, elec. gr.; Multilayer h-BN (Boron Nitride) film; Boron Citrate/Aspartate 5% 40M Bld; Boron powder, crystalline, -325 mesh; Boron, amorphous, powder, (submicron); DB11203; Boron amorphous B GRADE I (H gan s); Boron amorphous B GRADE II (H gan s); Boron amorphous B GRADE III (H gan s); Single Layer Hexagonal Boron Nitride Film; Boron crystalline B GRADE K1 (H gan s); Boron crystalline B GRADE K2 (H gan s); Boron crystalline B GRADE P1 (H gan s); Boron, >=95% (boron), amorphous powder; Boron, monofilament, 5m, diameter 0.1mm; Boron, monofilament, 5m, diameter 0.2mm; Boron crystalline B GRADE KT1 (H gan s); Boron, monofilament, 10m, diameter 0.1mm; Boron, monofilament, 10m, diameter 0.2mm; Boron, monofilament, 20m, diameter 0.1mm; Boron, monofilament, 20m, diameter 0.2mm; Boron, monofilament, 50m, diameter 0.1mm; Boron, monofilament, 50m, diameter 0.2mm; Boron, crystalline, 90-95%, -325 mesh; Boron, monofilament, 100m, diameter 0.1mm; Boron, monofilament, 200m, diameter 0.1mm; Y1405; METHYL-(2Z)3-IODO-2N-ACETYLCROTANOATE; Tantalum Pentoxide (Ta2O5) Sputtering Targets; Boron amorphous, Nano powder, 98.5%, <350 nm; Boron, purum p.a., >=99.0%, pieces, crystalline; Boron, crystalline, 1 cm, 99.7% trace metals basis; Boron, monofilament, 0.080 mm diameter, length 5 m; Q15634214; Boron, AAS solution standard, Specpure , B 1000 g/ml; Boron, crystalline, -60 mesh, 99% trace metals basis; Boron, monofilament, 0.080 mm diameter, length 10 m; Boron, monofilament, 0.080 mm diameter, length 100 m; Boron, monofilament, 0.080 mm diameter, length 20 m; Boron, monofilament, 0.080 mm diameter, length 50 m; Boron, monofilament, length 200 m, 0.080 mm diameter; Boron, Oil based standard solution, Specpure, B 1000g/g; Boron, Oil based standard solution, Specpure, B 5000g/g; Boron, plasma standard solution, Specpure , B 10,000 g/ml; Boron 11, 11B, plasma standard solution, Specpure, 11B 100g/ml; Boron, granule, 15 mm nominal granule size, weight 100 g, purity 99%; Boron, granule, 15 mm nominal granule size, weight 20 g, purity 99%; Boron, granule, 15 mm nominal granule size, weight 50 g, purity 99%; Boron, plasma standard solution, Specpure , B 1000 g/ml, H3BO3 in H2O; Boron, powder, 45 max. part. size (micron), weight 10 g, purity 98.%; Boron, powder, max. particle size 45 micron, weight 20 g, purity 98.%; Boron, powder, max. particle size 45 micron, weight 50 g, purity 98.%; Boron, plasma standard solution, Specpure , B 1000 g/ml, H3BO3 in 1% NH4OH; Boron, powder, mean particle size (fsss) 0.9 micron, weight 10 g, purity 95+%; Boron, powder, mean particle size (fsss) 0.9 micron, weight 20 g, purity 95+%; Boron, powder, mean particle size (fsss) 0.9 micron, weight 200 g, purity 95+%; Boron, powder, mean particle size (fsss) 0.9 micron, weight 50 g, purity 95+%; Boron, powder, mean particle size (fsss) 1 micron, weight 10 g, purity 92.1%; Boron, powder, mean particle size (fsss) 1 micron, weight 100 g, purity 92.1%; Boron, powder, mean particle size (fsss) 1 micron, weight 200 g, purity 92.1%; Boron, powder, mean particle size (fsss) 1 micron, weight 50 g, purity 92.1%; Boron, powder, weight 100 g, mean particle size (fsss) 0.9 micron, purity 95+%; Boron, powder, weight 20 g, mean particle size (fsss) 1 micron, purity 92.1%; Bor; Boron, microfoil, disks, 10mm, thinness 0.1mum, specific density 23.5mug/cm2, permanent mylar 3.5mum support, 99.6%; Boron, microfoil, disks, 25mm, thinness 0.1mum, specific density 23.5mug/cm2, 6 micron aluminum permanent support, 99.6%; Boron, microfoil, disks, 25mm, thinness 0.1mum, specific density 23.5mug/cm2, permanent mylar 3.5mum support, 99.6%"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB11203	.	.	10.81	0	B	0	0	.	1	0	0	[B]	InChI=1S/B	ZOXJGFHDIHLPTG-UHFFFAOYSA-N
DG01829	Glycylcysteine	7408690	Glycylcysteine; Gly-Cys; 57281-78-4; H-Gly-Cys-OH; Glycyl-Cysteine; glycyl-L-cysteine; (2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoic acid; (R)-2-(2-Aminoacetamido)-3-mercaptopropanoic acid; Gly-L-Cys; SCHEMBL358953; CHEBI:73890; DTXSID30428632; Gc; ZINC4899852; MFCD00672396; AKOS006271691; Q27144214	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	178.21	4	C5H10N2O3S	93.4	162	-3.7	11	4	5	C([C@@H](C(=O)O)NC(=O)CN)S	"InChI=1S/C5H10N2O3S/c6-1-4(8)7-3(2-11)5(9)10/h3,11H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1"	MFBYPDKTAJXHNI-VKHMYHEASA-N
DG01830	Bufalin	9547215	"Bufalin; 465-21-4; UNII-U549S98QLW; 3-beta,14-Dihydroxy-5-beta-bufa-20,22-dienolide; 3,14-Dihydroxy-bufa-20,22-dienolide; U549S98QLW; CHEBI:517248; 3beta,14beta-dihydroxy-5beta-bufa-20,22-dienolide; 5-((3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one; 5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one; Ch'an su; BUF; NSC 89595; BRN 5141601; (3beta,5beta)-3,14-dihydroxybufa-20,22-dienolide; SCHEMBL165666; CHEMBL399680; Bufa-20,22-dienolide, 3,14-dihydroxy-, (3b,5b)-; DTXSID90873563; AMY40632; Bufalin: Bufa-20,22-dienolide, 3,14-dihydroxy-, (3b,5b)-,; HY-N0877; ZINC4215121; HSCI1_000110; LMST01130001; s7821; AKOS015965454; CS-3694; SMP2_000290; AC-20197; AC-34068; BS-17080; C16922; BRD-K63606607-001-01-8; BRD-K63606607-001-02-6; Q18379323; 5-beta-BUFA-20,22-DIENOLIDE, 3-beta,14-DIHYDROXY-; 5beta-Bufa-20,22-dienolide, 3beta,14-dihydroxy- (8CI); (3beta,5beta,10alpha,17alpha)-3,14-dihydroxybufa-20,22-dienolide; Bufa-20,22-dienolide, 3,14-dihydroxy-, (3-beta,5-beta)- (9CI); Bufa-20,22-dienolide, 3,14-dihydroxy-, (3beta,5beta)- (9CI)"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	386.5	1	C24H34O4	66.8	741	3.2	28	2	4	C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O	"InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1"	QEEBRPGZBVVINN-BMPKRDENSA-N
DG01831	Afeletecan	9941008	"Afeletecan; Afeletecan free base; UNII-IX0QAD6RD2; IX0QAD6RD2; 215604-75-4; (S)-4-ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl ((4-(((2R,3S,4R,5R,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)phenyl)carbamothioyl)-L-histidyl-L-valinate; Afeletecan [INN]; CHEMBL2105857; Q27280930; [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[[(2S)-2-[[4-[(2R,3S,4R,5R,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxyphenyl]carbamothioylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoate; Camptothecin, ester with N-((p-((3-O-methyl-beta-L-fucopyranosyl)oxy)phenyl)thiocarbamoyl)-L-histidyl-L-valine"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	896	14	C45H49N7O11S	268	1840	2.6	64	6	14	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)[C@H](C(C)C)NC(=O)[C@H](CC6=CN=CN6)NC(=S)NC7=CC=C(C=C7)O[C@@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)OC)O	"InChI=1S/C45H49N7O11S/c1-6-45(30-17-33-35-25(15-24-9-7-8-10-31(24)49-35)19-52(33)40(56)29(30)20-60-43(45)58)63-41(57)34(22(2)3)51-39(55)32(16-27-18-46-21-47-27)50-44(64)48-26-11-13-28(14-12-26)62-42-37(54)38(59-5)36(53)23(4)61-42/h7-15,17-18,21-23,32,34,36-38,42,53-54H,6,16,19-20H2,1-5H3,(H,46,47)(H,51,55)(H2,48,50,64)/t23-,32-,34-,36+,37-,38+,42+,45-/m0/s1"	SLOJCSGNHWIKIG-JNYZSSQASA-N
DG01832	Polyphyllin I	11018329	"Polyphyllin I; 50773-41-6; (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol; CHEMBL3931203; HY-N0047; NSC805340; s9114; AKOS037515173; ZINC252491736; CCG-270534; NSC-805340; CS-0007105"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	855	8	C44H70O16	236	1570	1.5	60	8	16	C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1	"InChI=1S/C44H70O16/c1-19-8-13-44(53-18-19)20(2)30-27(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)55-41-38(59-39-35(51)33(49)31(47)21(3)54-39)36(52)37(29(17-46)57-41)58-40-34(50)32(48)28(16-45)56-40/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44-/m1/s1"	LRRDDWMXYOSKIC-IPKCVOQPSA-N
DG01833	Wnt agonist	11210285	"BML-284; Wnt Agonist; 853220-52-7; 2-Amino-4-(3,4-(methylenedioxy)benzylamino)-6-(3-methoxyphenyl)pyrimidine; N4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine; 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine; N4-(Benzo[d][1,3]dioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine; BML 284; 2-Amino-4-[3,4-(methylenedioxy)benzylamino]-6-(3-methoxyphenyl)pyrimidine; Wnt agonist 1;AMBMP; SCHEMBL430891; Wnt agonist 1(BML-284); Wnt agonist 1 (BML-284); CHEMBL4303671; BML 284;BML284; CHEBI:125559; BCP17186; EX-A2428; HSCI1_000334; NSC762367; ZINC44063027; CCG-208089; CS-5516; NSC-762367; NCGC00386697-01; NCGC00386697-05; AS-56297; HY-19987; C76745; BRD-K42624714-001-01-7; Q27216172; N4-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine; FW9"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	350.4	5	C19H18N4O3	91.5	455	3.1	26	2	7	COC1=CC=CC(=C1)C2=CC(=NC(=N2)N)NCC3=CC4=C(C=C3)OCO4	"InChI=1S/C19H18N4O3/c1-24-14-4-2-3-13(8-14)15-9-18(23-19(20)22-15)21-10-12-5-6-16-17(7-12)26-11-25-16/h2-9H,10-11H2,1H3,(H3,20,21,22,23)"	FABQUVYDAXWUQP-UHFFFAOYSA-N
DG01834	Erastin	11214940	"ERASTIN; 571203-78-6; 2-[1-[4-[2-(4-chlorophenoxy)acetyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-4(3H)-Quinazolinone; 2-(1-(4-(2-(4-chlorophenoxy)acetyl)piperazin-1-yl)ethyl)-3-(2-ethoxyphenyl)quinazolin-4(3H)-one; MFCD09837984; 2-[1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one; CHEMBL401989; SCHEMBL4457820; Erastin, >=98% (HPLC); CHEBI:94287; AOB6043; DTXSID80458949; EX-A295; HMS3653K21; HMS3868M03; BCP27907; WXA20378; 2400AH; BDBM50376126; s7242; AKOS025147365; CCG-269987; CS-1675; Erastin - CAS 571203-78-6; SB19588; NCGC00351608-10; NCGC00351608-14; AS-55898; DA-42059; HY-15763; QC-11375; FT-0700333; SW208651-2; C21478; A869751; BRD-A25004090-001-01-9; BRD-A25004090-001-02-7; BRD-A25004090-001-06-8; Q27166099; 2-[1-[4-[2-(4-chlorophenoxy)-1-oxoethyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-4-quinazolinone; 4(3H)-Quinazolinone, 2-[1-[4-[2-(4-chlorophenoxy)acetyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-"	Patented	3	Patented Agent(s)	Patented	Small molecular drug	.	CHEBI:94287	.	.	.	547	8	C30H31ClN4O4	74.7	871	4.8	39	0	6	CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)COC5=CC=C(C=C5)Cl	"InChI=1S/C30H31ClN4O4/c1-3-38-27-11-7-6-10-26(27)35-29(32-25-9-5-4-8-24(25)30(35)37)21(2)33-16-18-34(19-17-33)28(36)20-39-23-14-12-22(31)13-15-23/h4-15,21H,3,16-20H2,1-2H3"	BKQFRNYHFIQEKN-UHFFFAOYSA-N
DG01835	Artenimol	11358077	"Alpha-Dihydroartemisinin; Dihydroartemisinin; Artenimol; 81496-81-3; UNII-X0UIV26ABX; X0UIV26ABX; 71939-50-9; 123930-80-3; (1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol; Dihydroartemisinin (DHA); (1S,4S,5R,8S,9R,12R,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol; (3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-ol; (3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-ol; CHEMBL511326; SCHEMBL18744731; CHEBI:168754; MFCD00236467; s2290; ZINC15449189; AKOS022168199; CCG-267307; NSC 758682; NCGC00346590-02; N1713; 496D813; Q-100792; Q27293233; (3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3,-j)-1,2-benzodioxepin-10-ol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11638	.	.	284.35	0	C15H24O5	57.2	415	2.5	20	1	5	C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)O)C	"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12-,13-,14-,15-/m1/s1"	BJDCWCLMFKKGEE-KDTBHNEXSA-N
DG01836	Lipopolysaccharide	11970143	Lipopolysaccharide; Lipopolysaccharides; LPSLPS; NCGC00188939-01	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	4900	154	C205H366N3O117P5	1890	10000	-5	330	62	118	CCCCCCCCCCCCCCCC1[C@H](OC([C@H]([C@@H]1OC(=O)CC(CCCCCCCCCCC)O)O)CO[C@H]2[C@H](C([C@@H](C(O2)CO[C@@]3(CC([C@H](C(O3)C(CO)O)O[C@H]4[C@@H](C([C@@H](C(O4)C(CO)O)OP(=O)(O)OP(=O)(O)OCCN)O[C@@H]5[C@@H](C([C@@H](C(O5)C(CO[C@@H]6[C@@H](C([C@](CO6)(C(CO)O)O)O)O)O)OP(=O)(O)O)O[C@@H]7C(C([C@@H](C(O7)CO[C@@H]8C(C([C@H](C(O8)CO)O)O)O)O)O[C@@H]9C(C([C@H](C(O9)CO)O)O)O[C@@H]1C(C([C@@H](C(O1)CO)O[C@@H]1C(C([C@H](C(O1)CO)O)OC1[C@@H](C(C([C@@H](O1)C)O[C@@H]1C(C([C@@H](C(O1)CO)O)O[C@@H]1C(C[C@H](C(O1)C)O)O)O[C@@H]1C(C([C@H](C(O1)CO)O)O)O)O)O)O)O)O[C@@H]1[C@H](C([C@@H](C(O1)CO)O)O)NC(=O)C)O)O)O)O[C@@]1(CC([C@H](C(O1)C(CO)O)O)O[C@@]1(CC([C@H](C(O1)C(CO)O)O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)CP(=O)(O)O	"InChI=1S/C205H366N3O117P5/c1-10-16-22-28-34-40-42-43-45-50-55-61-67-73-109-130(101-326(269,270)271)292-127(147(245)164(109)302-135(235)78-106(222)70-64-58-52-46-36-30-24-18-12-3)98-283-186-138(208-132(232)79-107(71-65-59-53-47-37-31-25-19-13-4)290-133(233)74-68-62-56-49-39-33-27-21-15-6)173(303-136(236)80-108(72-66-60-54-48-38-32-26-20-14-5)291-134(234)75-69-63-57-51-44-41-35-29-23-17-11-2)172(322-327(272,273)274)129(301-186)100-286-203(199(262)263)84-119(318-205(201(266)267)83-118(144(242)166(320-205)114(227)86-210)317-204(200(264)265)82-112(225)139(237)165(319-204)113(226)85-209)171(169(321-203)116(229)88-212)308-194-161(259)178(182(167(305-194)115(228)87-211)324-330(280,281)325-329(278,279)287-77-76-206)313-195-160(258)177(181(323-328(275,276)277)168(306-195)117(230)97-282-188-162(260)184(261)202(268,102-285-188)131(231)96-220)312-193-159(257)175(148(246)128(300-193)99-284-189-154(252)150(248)141(239)121(90-214)294-189)310-196-179(152(250)143(241)123(92-216)297-196)315-197-180(314-187-137(207-105(9)221)149(247)140(238)120(89-213)293-187)157(255)170(126(95-219)299-197)307-192-158(256)174(145(243)124(93-217)296-192)309-190-156(254)153(251)163(104(8)289-190)304-198-183(316-191-155(253)151(249)142(240)122(91-215)295-191)176(146(244)125(94-218)298-198)311-185-111(224)81-110(223)103(7)288-185/h103-104,106-131,137-198,209-220,222-231,237-261,268H,10-102,206H2,1-9H3,(H,207,221)(H,208,232)(H,262,263)(H,264,265)(H,266,267)(H,278,279)(H,280,281)(H2,269,270,271)(H2,272,273,274)(H2,275,276,277)/t103 ,104-,106 ,107 ,108 ,109 ,110+,111 ,112 ,113 ,114 ,115 ,116 ,117 ,118 ,119 ,120 ,121 ,122 ,123 ,124 ,125 ,126 ,127 ,128 ,129 ,130+,131 ,137-,138-,139+,140+,141-,142-,143-,144+,145-,146+,147+,148+,149 ,150 ,151 ,152 ,153 ,154 ,155 ,156+,157 ,158 ,159 ,160+,161+,162+,163 ,164+,165 ,166 ,167 ,168 ,169 ,170+,171+,172+,173 ,174 ,175 ,176 ,177 ,178 ,179 ,180 ,181+,182+,183 ,184 ,185+,186+,187+,188-,189-,190 ,191+,192+,193+,194-,195+,196+,197+,198+,202-,203+,204+,205+/m0/s1"	YPXVSQSYDIMPDZ-AUUHBOKRSA-N
DG01837	BTI-2571E	11970413	"3-(4-Methylsulfonylstyryl)-1,2,4-oxadiazole; 24664-14-0; 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-1,2,4-oxadiazole; Bti 2571E; Bti 2571(E); SCHEMBL11763943; BTI-2571E; BTI-2571(E); (E)-BTI-2571; 1,2,4-Oxadiazole, 3-(2-(4-(methylsufonyl)phenyl)ethenyl)-, (E)-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	250.28	3	C11H10N2O3S	81.4	367	1.7	17	0	5	CS(=O)(=O)C1=CC=C(C=C1)/C=C/C2=NOC=N2	"InChI=1S/C11H10N2O3S/c1-17(14,15)10-5-2-9(3-6-10)4-7-11-12-8-16-13-11/h2-8H,1H3/b7-4+"	IYACHGURRCRVBZ-QPJJXVBHSA-N
DG01838	Aspirin CD3	12280114	"Aspirin CD3; Acetylsalicylic acid-d3; 921943-73-9; Aspirin-d3; UNII-7F6Y89636M; Acetylsalicylic Acid;ASA; 2-(2,2,2-trideuterioacetyl)oxybenzoic acid; 7F6Y89636M; Trideuteriomethylaspirin; Benzoic acid, (acetyl-2,2,2-D3-oxy)-; [2H3]-Acetylsalicylic acid; 2-(Acetoxy-d3)benzoic acid; HY-14654S; MFCD09752106; CS-0214015; A935842; Acetylsalicylic acid-(methyl-d3), analytical standard; Q27268193"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB00945	.	.	183.18	3	C9H8O4	63.6	212	1.2	13	1	4	[2H]C([2H])([2H])C(=O)OC1=CC=CC=C1C(=O)O	"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/i1D3"	BSYNRYMUTXBXSQ-FIBGUPNXSA-N
DG01839	Astragaloside IV	13943297	"Astragaloside IV; 84687-43-4; Astragaloside A; Cyclosiversioside F; UNII-1J6XA9YCFV; 1J6XA9YCFV; CHEBI:65457; (2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; 83207-58-3; (2R,3R,4S,5S,6R)-2-[[(1S,3R,8R,9S,11S,12S,14S,15R,16R)-14-Hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; 3-O-beta-D-xylopyranosyl-6-O-beta-D-glucopyranosylcycloastragenol; C41H68O14; AS-IV; MFCD16036240; Cyclosieversioside F; AST-IV; Astragaloside IV 95%; Astragaloside IV, >98.0%; CHEMBL3121562; SCHEMBL21888259; HMS3885E12; HY-N0431; s3901; AKOS025311424; ZINC238809356; CCG-270470; AS-19402; beta-D-Glucopyranoside, (3beta,6alpha,16beta,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(beta-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl; K514; X7614; C17799; 846A434; Q27133900; Astragaloside IV, European Pharmacopoeia (EP) Reference Standard; Astragaloside IV, United States Pharmacopeia (USP) Reference Standard; (2R,3R,4S,5S,6R)-2-(((2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-4-hydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyl-9-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-7-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	785	7	C41H68O14	228	1460	1.3	55	9	14	C[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C@H]4[C@@]1(C[C@@H]([C@@H]2[C@]6(CC[C@H](O6)C(C)(C)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O	"InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34+,37+,38-,39+,40-,41+/m0/s1"	QMNWISYXSJWHRY-YLNUDOOFSA-N
DG01840	Ceruletide	16129675	"Caerulein; Ceruletide; 17650-98-5; Cerulein; Ceruletida; Ceruletidum; 5-Oxo-L-prolyl-L-glutaminyl-L-alpha-aspartyl-O-sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamide; UNII-888Y08971B; FI-6934; CHEBI:59219; Tymtran; 888Y08971B; Ceruletidum [INN-Latin]; Ceruletida [INN-Spanish]; Ceruletide [USAN:INN:BAN]; 5-oxo-L-prolyl-L-glutaminyl-L-a-aspartyl-O-sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-a-aspartyl-L-phenylalaninamide; CCRIS 3063; Ceruletide (USAN/INN); Caerulein, sulfated; FI-6934Caerulein; 5-Oxo-L-prolyl-L-glutaminyl-L-aspartyl-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-L-alaninamide 4-(hydrogen sulfate) (ester); SCHEMBL29520; GTPL7589; CHEMBL1201355; DTXSID8040434; HY-A0190; Pyr-QD-Tyr(SO3H)-TGWMDF-NH2; MFCD00076478; CS-5876; DB00403; AS-56061; C73362; D03442; Q5065299; (3S)-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}butanamido]-3-carboxypropanamido]-3-[4-(sulfooxy)phenyl]propanamido]-3-hydroxybutanamido]acetamido}-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]propanoic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:59219	DB00403	.	.	1352.4	38	C58H73N13O21S2	585	2840	-3	94	17	22	C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CCC(=O)N5)O	"InChI=1S/C58H73N13O21S2/c1-29(72)49(71-57(87)40(23-31-12-14-33(15-13-31)92-94(89,90)91)68-56(86)43(26-48(78)79)69-52(82)37(16-18-44(59)73)65-51(81)36-17-19-45(74)63-36)58(88)62-28-46(75)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(84)66-38(20-21-93-2)53(83)70-42(25-47(76)77)55(85)67-39(50(60)80)22-30-8-4-3-5-9-30/h3-15,27,29,36-43,49,61,72H,16-26,28H2,1-2H3,(H2,59,73)(H2,60,80)(H,62,88)(H,63,74)(H,64,75)(H,65,81)(H,66,84)(H,67,85)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,76,77)(H,78,79)(H,89,90,91)/t29-,36+,37+,38+,39+,40+,41+,42+,43+,49+/m1/s1"	YRALAIOMGQZKOW-HYAOXDFASA-N
DG01841	Rhodium trichloride hydrate	16211510	"Rhodium trichloride hydrate; Rhodium(III) chloride xhydrate; CDDP;cis-Diaminodichloroplatinum; Cl3H2ORh; trichlororhodium hydrate; trichlororhodium;hydrate; rhodium chloride hydrate; rhodiumtrichloride hydrate; Rhodium(III) chloride 3-hydrate; BCP26055; 0627AB; AKOS015924295; Rhodium chloride (RhCl3), hydrate (9CI); Rhodium(III) chloride hydrate, Rh =>39%; Rhodium(III) chloride hydrate, Rh 38-40 %; A814863; trichlororhodium hydrate;Rhodium(III) Chloride Hydrate; Rhodium(III) chloride hydrate, 99.98% trace metals basis; Rhodium(III) chloride hydrate, Rh =>39% trace metal grade 99.99%; Rhodium(III) chloride hydrate, crystalline, >=99.9% trace metals basis"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00515	.	.	227.28	0	Cl3H2ORh	1	8	.	5	1	1	O.Cl[Rh](Cl)Cl	InChI=1S/3ClH.H2O.Rh/h3*1H;1H2;/q;;;;+3/p-3	HSSMNYDDDSNUKH-UHFFFAOYSA-K
DG01842	YK-4-279	44632017	"YK-4-279; 1037184-44-3; YK 4-279; 4,7-dichloro-3-hydroxy-3-(2-(4-methoxyphenyl)-2-oxoethyl)indolin-2-one; 4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one; CHEMBL2011500; 4,7-Dichloro-1,3-dihydro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-2H-indol-2-one; C17H13Cl2NO4; 4,7-dichloro-1,3-dihydro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-2H-indole-2-one; MLS006010813; SCHEMBL3486735; CHEBI:94301; DTXSID80660065; EX-A524; HMS3741G19; AOB87740; BCP13213; BDBM50379275; MFCD18382120; NSC765436; s7679; AKOS024457962; CCG-268236; CS-0667; NSC-765436; YK4-279; NCGC00346886-01; NCGC00346886-04; NCGC00346886-09; AC-33063; AS-17053; HY-14507; QC-11745; SMR004701745; FT-0753857; Y0289; F51067; BRD-A62182663-001-02-2; Q27166120; 4,7-dichloro-3-hydroxy-3-(2-(4-methoxyphenyl)-2-oxoethyl)indolin-2-one(YK-4-279)"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	366.2	4	C17H13Cl2NO4	75.6	509	3.1	24	2	4	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	"InChI=1S/C17H13Cl2NO4/c1-24-10-4-2-9(3-5-10)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22/h2-7,23H,8H2,1H3,(H,20,22)"	HLXSCTYHLQHQDJ-UHFFFAOYSA-N
DG01843	Chembl2042164	44776615	"CHEMBL2042164; (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl]tetrahydrofuran-3,4-diol; BDBM50524391; (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl]tetrahydrofuran-3,4-diol (non-preferred name); (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)purin-9-yl]tetrahydrofuran-3,4-diol; ERS"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	412.4	4	C20H24N6O4	120	574	1.3	30	3	9	C1CN(CCN1C2=CC=CC=C2)C3=NC=NC4=C3N=CN4[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O	"InChI=1S/C20H24N6O4/c27-10-14-16(28)17(29)20(30-14)26-12-23-15-18(21-11-22-19(15)26)25-8-6-24(7-9-25)13-4-2-1-3-5-13/h1-5,11-12,14,16-17,20,27-29H,6-10H2/t14-,16-,17-,20-/m1/s1"	FVRJZHPJEJJPPT-WVSUBDOOSA-N
DG01844	5-FU-CDDP	56842080	5-FU-CDDP protocol; 5-FU-CDDP regimen; 5-FU-CDDP; SCHEMBL5916102; Cisplatin regimen with Fluorouracil; C112530000	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	428.11	0	C4H7Cl2FN4O2Pt	60.2	206	.	14	4	5	C1=C(C(=O)NC(=O)N1)F.[NH2-].[NH2-].Cl[Pt+2]Cl	"InChI=1S/C4H3FN2O2.2ClH.2H2N.Pt/c5-2-1-6-4(9)7-3(2)8;;;;;/h1H,(H2,6,7,8,9);2*1H;2*1H2;/q;;;2*-1;+4/p-2"	LVOCGPWBRTUSAU-UHFFFAOYSA-L
DG01845	Nonesterified	57426056	"NEFA; JMF9RU2BLC; UNII-JMF9RU2BLC; Fatty Acids, Nonesterified; SCHEMBL15273327; Q6953452; (4aR,9aS)-N-Ethyl-4,4a,9,9a-tetrahydro-1H-fluoren-4a-amine; 4Ah-fluoren-4a-amine, N-ethyl-1,4,9,9a-tetrahydro-, (4ar-cis)-; 127140-88-9"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	213.32	2	C15H19N	12	283	3	16	1	1	CCN[C@]12CC=CC[C@H]1CC3=CC=CC=C23	"InChI=1S/C15H19N/c1-2-16-15-10-6-5-8-13(15)11-12-7-3-4-9-14(12)15/h3-7,9,13,16H,2,8,10-11H2,1H3/t13-,15+/m0/s1"	DRCWOKJLSQUJPZ-DZGCQCFKSA-N
DG01846	Hydrochloride	69797958	"(E)-SIS3; SMAD3; (E)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one;hydrochloride; DS-015902"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	490	5	C28H28ClN3O3	56.6	724	.	35	1	4	CN1C(=C(C2=C1N=CC=C2)C=CC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C5=CC=CC=C5.Cl	"InChI=1S/C28H27N3O3.ClH/c1-30-27(19-8-5-4-6-9-19)22(23-10-7-14-29-28(23)30)11-12-26(32)31-15-13-20-16-24(33-2)25(34-3)17-21(20)18-31;/h4-12,14,16-17H,13,15,18H2,1-3H3;1H"	CDKIEBFIMCSCBB-UHFFFAOYSA-N
DG01847	Insulin recombinant	70678557	"9004-10-8; Iletin; Endopancrine; Decurvon; Dermulin; Humilin; Insular; Insulyl; Iszilin; Musulin; insulin-human; Dal-insulinum; Intesulin B; AERx; Insulin, dalanated; Insulina dalanatada; Insulinum dalanatum; Imusay-131; INSULIN INJECTION; Dalanated insulin [INN]; Insulina iniettabile neutra; Insulini injectio neutralis; Injectable insulini neutrale; Inyectable neutro de insulina; CCRIS 5464; HSDB 3102; Insulin, dalanated [USAN:INN]; Insulinum dalanatum [INN-Latin]; AERx [Insulin management system]; Insulina dalanatada [INN-Spanish]; Solute neutre injectable d'insuline; HMR 4006; Insulina iniettabile neutra [DCIT]; EINECS 232-672-8; S.N. 44; Insulini injectio neutralis [INN-Latin]; Inyectable neutro de insulina [INN-Spanish]; Solute neutre injectable d'insuline [INN-French]"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00030	.	DR00408	5794	178	C256H381N65O77S6	2450	14600	-12.8	404	78	89	CC[C@@H](C)[C@H]1C(=O)N[C@@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H]([C@H](C)O)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@H](C)O)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CNC=N2)CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)[C@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](C)CC)NC(=O)CN	"InChI=1S/C256H381N65O77S6/c1-29-130(23)202(311-190(337)103-258)250(391)315-200(128(19)20)246(387)286-158(75-82-197(347)348)216(357)281-154(70-77-186(261)333)220(361)306-181-115-402-403-116-182-241(382)303-176(110-323)238(379)293-161(88-122(7)8)224(365)294-167(95-139-53-61-145(328)62-54-139)227(368)282-153(69-76-185(260)332)217(358)289-160(87-121(5)6)222(363)283-157(74-81-196(345)346)219(360)301-173(101-188(263)335)233(374)297-169(97-141-57-65-147(330)66-58-141)230(371)307-180(240(381)302-174(254(395)396)102-189(264)336)114-401-400-113-179(213(354)272-106-191(338)277-152(72-79-194(341)342)215(356)280-150(51-42-84-270-256(266)267)211(352)271-107-192(339)278-165(93-137-46-36-32-37-47-137)226(367)296-166(94-138-48-38-33-39-49-138)229(370)298-170(98-142-59-67-148(331)68-60-142)236(377)318-205(134(27)326)253(394)321-85-43-52-184(321)244(385)284-151(50-40-41-83-257)221(362)319-206(135(28)327)255(397)398)309-247(388)199(127(17)18)314-234(375)163(90-124(11)12)291-228(369)168(96-140-55-63-146(329)64-56-140)295-223(364)159(86-120(3)4)288-209(350)132(25)276-214(355)156(73-80-195(343)344)285-245(386)198(126(15)16)313-235(376)164(91-125(13)14)292-232(373)172(100-144-105-269-119-275-144)300-237(378)175(109-322)279-193(340)108-273-212(353)178(112-399-404-117-183(308-242(181)383)243(384)317-204(133(26)325)251(392)304-177(111-324)239(380)316-203(131(24)30-2)249(390)310-182)305-225(366)162(89-123(9)10)290-231(372)171(99-143-104-268-118-274-143)299-218(359)155(71-78-187(262)334)287-252(393)207(208(265)349)320-248(389)201(129(21)22)312-210(351)149(259)92-136-44-34-31-35-45-136/h31-39,44-49,53-68,104-105,118-135,149-184,198-207,322-331H,29-30,40-43,50-52,69-103,106-117,257-259H2,1-28H3,(H2,260,332)(H2,261,333)(H2,262,334)(H2,263,335)(H2,264,336)(H2,265,349)(H,268,274)(H,269,275)(H,271,352)(H,272,354)(H,273,353)(H,276,355)(H,277,338)(H,278,339)(H,279,340)(H,280,356)(H,281,357)(H,282,368)(H,283,363)(H,284,385)(H,285,386)(H,286,387)(H,287,393)(H,288,350)(H,289,358)(H,290,372)(H,291,369)(H,292,373)(H,293,379)(H,294,365)(H,295,364)(H,296,367)(H,297,374)(H,298,370)(H,299,359)(H,300,378)(H,301,360)(H,302,381)(H,303,382)(H,304,392)(H,305,366)(H,306,361)(H,307,371)(H,308,383)(H,309,388)(H,310,390)(H,311,337)(H,312,351)(H,313,376)(H,314,375)(H,315,391)(H,316,380)(H,317,384)(H,318,377)(H,319,362)(H,320,389)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,395,396)(H,397,398)(H4,266,267,270)/t130-,131-,132+,133+,134+,135+,149+,150+,151+,152+,153+,154+,155+,156+,157+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,181+,182-,183+,184+,198+,199+,200+,201+,202+,203+,204+,205+,206+,207+/m1/s1"	YAJCHEVQCOHZDC-QMMNLEPNSA-N
DG01848	Interferon alfa-2B	71306834	"INTERFERON ALFA-2B; 98530-12-2; Interferon alfa-2b, recombinant; C16H17Cl3I2N3NaO5S; SCHEMBL6041041; K779; Q4391540"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB05258	.	.	746.5	7	C16H17Cl3I2N3NaO5S	113	511	.	31	0	6	CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2.C(S(=O)(=O)[O-])(I)I.[Na+]	"InChI=1S/C15H16Cl3N3O2.CH2I2O3S.Na/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18;2-1(3)7(4,5)6;/h3,5,8-10H,2,4,6-7H2,1H3;1H,(H,4,5,6);/q;;+1/p-1"	MIXCUJKCXRNYFM-UHFFFAOYSA-M
DG01849	Preimplantation factor	134687212	"UNII-3K6A6FJ98O; 3K6A6FJ98O; Preimplantation factor; SPIF peptide; PIF-1; Synthetic preimplantation factor; Preimplantation factor, synthetic; 485818-40-4; L-Aspartic acid, L-methionyl-L-valyl-L-arginyl-L-isoleucyl-L-lysyl-L-prolylglycyl-L-seryl-L-alanyl-L-asparaginyl-L-lysyl-L-prolyl-L-seryl-L-alpha-aspartyl-; L-Methionyl-L-valyl-L-arginyl-L-isoleucyl-L-lysyl-L-prolylglycyl-L-seryl-L-alanyl-L-asparaginyl-L-lysyl-L-prolyl-L-seryl-L-alpha-aspartyl-L-aspartic acid"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	1614.8	53	C67H115N21O23S	753	3300	-15	112	23	28	CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCSC)N	"InChI=1S/C67H115N21O23S/c1-7-34(4)52(86-55(99)37(17-12-23-74-67(72)73)78-62(106)51(33(2)3)85-54(98)36(70)20-26-112-6)63(107)80-39(16-9-11-22-69)65(109)87-24-13-18-45(87)60(104)75-30-48(92)77-43(31-89)58(102)76-35(5)53(97)81-40(27-47(71)91)56(100)79-38(15-8-10-21-68)64(108)88-25-14-19-46(88)61(105)84-44(32-90)59(103)82-41(28-49(93)94)57(101)83-42(66(110)111)29-50(95)96/h33-46,51-52,89-90H,7-32,68-70H2,1-6H3,(H2,71,91)(H,75,104)(H,76,102)(H,77,92)(H,78,106)(H,79,100)(H,80,107)(H,81,97)(H,82,103)(H,83,101)(H,84,105)(H,85,98)(H,86,99)(H,93,94)(H,95,96)(H,110,111)(H4,72,73,74)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,51-,52-/m0/s1"	GLXYOFXNKBTMQL-YKCHQESGSA-N
DG01850	DX-8951	146160902	BCP32858; FT-0777984; Exatecan derivative for ADC;Exatecan derivative; DX-8951 derivative; DX-8951; DX8951; Trastuzumab Deruxtecan (DS-8201a)	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB16301	.	.	493.5	3	C26H24FN3O6	129	1080	0	36	3	8	CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)CO)O	"InChI=1S/C26H24FN3O6/c1-3-26(35)15-6-19-23-13(8-30(19)24(33)14(15)10-36-25(26)34)22-17(28-20(32)9-31)5-4-12-11(2)16(27)7-18(29-23)21(12)22/h6-7,17,31,35H,3-5,8-10H2,1-2H3,(H,28,32)"	PLXLYXLUCNZSAA-UHFFFAOYSA-N
DG01851	Sacubitril/Valsartan	156599206	Sacubitril/Valsartan	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	1922	40	C96H126N12Na6O21-6	396	1140	.	135	7	35	[H-].[H-].[H-].[H-].[H-].[H-].CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=N[N-]3)[C@@H](C(C)C)C(=O)[O-].CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=N[N-]3)[C@@H](C(C)C)C(=O)[O-].CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]	"InChI=1S/2C24H29N5O3.2C24H29NO5.6Na.5H2O.6H/c2*1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23;2*1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19;;;;;;;;;;;;;;;;;/h2*6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H2,25,26,27,28,31,32);2*4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);;;;;;;5*1H2;;;;;;/q;;;;6*+1;;;;;;6*-1/p-6/t2*22-;2*17-,21+;;;;;;;;;;;;;;;;;/m0011................./s1"	FMZBKXKGHKJGMO-VDKBMKBSSA-H
DG01852	HSP90 inhibitor	.	HSP90 inhibitor	Preclinical	14	Preclinical Drug(s)	Preclinical	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01853	Induction therapy	.	Induction therapy	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01854	Teprotumumab	.	Teprotumumab	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB06343	.	.	148000	.	.	.	.	.	.	.	.	.	.	.
DG01855	HG-6-63-01	.	HG-6-63-01	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01856	XMD15-44	.	XMD15-44	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01857	SU5402	.	SU5402	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01858	R3Mab	.	R3Mab	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01859	Spliceosome inhibitors	.	Spliceosome inhibitors	Preclinical	14	Preclinical Drug(s)	Preclinical	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01860	Unspecified VEGFR2 antibody	.	Unspecified VEGFR2 antibody	Preclinical	14	Preclinical Drug(s)	Preclinical	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01861	VEGFR inhibitors	.	VEGFR inhibitors	Preclinical	14	Preclinical Drug(s)	Preclinical	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01862	Pan-TRK inhibitors	.	Pan-TRK inhibitors	Preclinical	14	Preclinical Drug(s)	Preclinical	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01863	ACLY siRNA	.	ACLY SiRNA	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01864	PI3K pathway inhibitors	.	PI3K pathway inhibitors	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01865	Anti-HER3 mAbs	.	Anti-HER3 mAbs	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01866	Compound 3144	.	Compound 3144	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01867	ERK inhibitors	.	ERK inhibitors	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01868	NS1	.	NS1	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01869	SF1126	.	SF1126	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01870	SHR-A1307	.	SHR-A1307	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01871	CYH33	.	CYH33	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01872	DHM25	.	DHM25	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01873	LY2780301	.	LY2780301	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01874	YM-024	.	YM-024	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01875	PW12	.	PW12	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01876	PKI-402	.	PKI-402	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01877	PI103	.	PI103	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01878	IMG-2005-5	.	IMG-2005-5	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01879	MEK inhibitors	.	MEK inhibitors	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01880	BPR1J373	.	BPR1J373	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01881	PARP inhibitors	.	PARP inhibitors	Preclinical	14	Preclinical Drug(s)	Preclinical	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01882	IDH1 inhibitors	.	IDH1 inhibitors	Preclinical	14	Preclinical Drug(s)	Preclinical	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01883	GSK3052230	.	GSK3052230	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01884	EZH2 inhibitors	.	EZH2 inhibitors	Preclinical	14	Preclinical Drug(s)	Preclinical	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01885	UNC1999	.	UNC1999	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01886	Anti-estrogens	.	Anti-estrogens	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01887	Hormone therapy	.	Hormone therapy	Preclinical	14	Preclinical Drug(s)	Preclinical	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01888	Non-allosteric AKT inhibitors	.	Non-allosteric AKT inhibitors	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01889	Allosteric AKT inhibitors	.	Allosteric AKT inhibitors	Preclinical	14	Preclinical Drug(s)	Preclinical	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01891	SHP099	.	SHP099	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01892	MET inhibitors	.	MET inhibitors	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01893	Peginterferon alfa-2a	.	Peginterferon alfa-2a	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01894	IDH2 inhibitors	.	IDH2 inhibitors	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01895	ERBB2 TKIs	.	ERBB2 TKIs	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01896	EKI-285	.	EKI-285	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01897	Trastuzumab-based chemotherapy	.	Trastuzumab-based chemotherapy	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01898	Unspecified PD-L1 antibody	.	Unspecified PD-L1 antibody	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01899	OBX1-012	.	OBX1-012	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01900	hEGFR vIII-CD3 bi-scFv	.	HEGFRvIII-CD3 bi-scFv	Preclinical	14	Preclinical Drug(s)	Preclinical	Bispecific antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01901	MM-151	.	MM-151	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01902	ALRN-6924	.	ALRN-6924	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01903	YW3-56	.	YW3-56	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01904	EAP Protocol	.	EAP Protocol	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01905	SBI-0640726	.	SBI-0640726	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01906	INU-152	.	INU-152	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01907	LSN3074753	.	LSN3074753	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01908	DETD-35	.	DETD-35	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01909	SBI-755199	.	SBI-755199	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01910	BI-2536	.	BI2536	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01911	CLM3	.	CLM3	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01912	S3I-201	.	S3I-201	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01913	Pictilisib/Ruxolitinib	.	Pictilisib/Ruxolitinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01914	Afabicin	72696796	"UNII-DMM8663H2R; DMM8663H2R; 1518800-35-5; Afabicin [INN]; SCHEMBL15479062; SCHEMBL16262317; (6-((1E)-3-(Methyl((3-methyl-1-benzofuran-2-yl)methyl)amino)-3-oxoprop-1-en-1-yl)-2-oxo-3,4-dihydro-1,8-naphthyridin-1(2H)-yl)methyl dihydrogen phosphate; 2-Propenamide, N-methyl-N-((3-methyl-2-benzofuranyl)methyl)-3-(5,6,7,8-tetrahydro-7-oxo-8-((phosphonooxy)methyl)-1,8-naphthyridin-3-yl)-, (2E)-"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB15268	.	.	485.4	7	C23H24N3O7P	133	833	1	34	2	8	"1S/C23H24N3O7P/c1-15-18-5-3-4-6-19(18)33-20(15)13-25(2)21(27)9-7-16-11-17-8-10-22(28)26(23(17)24-12-16)14-32-34(29,30)31/h3-7,9,11-12H,8,10,13-14H2,1-2H3,(H2,29,30,31)/b9-7+"	CC1=C(OC2=CC=CC=C12)CN(C)C(=O)/C=C/C3=CC4=C(N=C3)N(C(=O)CC4)COP(=O)(O)O	HFYMDQMXVPJNTH-VQHVLOKHSA-N
DG00194	Ribavirin	37542	"Ribavirin; 36791-04-5; Tribavirin; Rebetol; Virazole; Ribavirine; Copegus; Vilona; Ribamide; Ribasphere; Ribamidil; Viramid; Ribamidyl; Ribavirinum; Ribavirina; Rebetron; Varazid; RTCA; Ribavirin Capsules; Ribavirinum [INN-Latin]; Ribavirine [INN-French]; Ribavirina [INN-Spanish]; ICN-1229; Rebretron; Virazid; Ribav; 1-beta-D-Ribofuranosyl-1,2,4-triazole-3-carboxamide; DRG-0028; 1-beta-D-Ribofuranosyl-1H-1,2,4-triazole-3-carboxamide; UNII-49717AWG6K; Ribavirin (Copegus); Copegus; Cotronak; RBV; RTC; Ravanex; Ribacine; Ribovirin; Viramide; Virazide; R 9644; SCH 18908; C-Virin; Copegus (TN); Drug: Ribavirin; KS-1104; R-964; RG-964; Rebetol (TN); Ribasphere (TN); Ribavirin [USAN:INN]; Vilona (TN); Virazole (Ribavirin) Inhalation Solution; Virazole (TN); AA-504/07617051; Ro 20-9963/000; Ro-20-9963; Ribavirin (JAN/USP/INN); 1-beta-D-Ribofuranosyl-1,2,4-triazolo-3-carboxamide; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,2,4-triazole-3-carboxamide; 1-beta-D-ribofuranosyl-1-H-1,2,4-triazole-3-carboxamide; RBI034 (2-5A antisense compound) + Ribavirin"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63580	DB00811	DR00176	DR1413	244.2	C8H12N4O5	144	304	-1.8	17	4	7	3	"1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1"	C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N	IWUCXVSUMQZMFG-AFCXAGJDSA-N
DG00462	Niclosamide	4477	"Niclosamide; 50-65-7; 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide; Niclocide; Bayluscid; Phenasal; Tredemine; Fenasal; Yomesan; Dichlosale; Helmiantin; Atenase; Cestocid; Devermin; Devermine; Iomesan; Iomezan; Mansonil; Radeverm; Sagimid; Vermitid; Lintex; Nasemo; Sulqui; Mato; Fedal-Telmin; Bayer 73; Zestocarp; Bayer 2353; 2',5-Dichloro-4'-nitrosalicylanilide; BAY 2353; Chemagro 2353; Benzamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-; C13H8Cl2N2O4; 5-Chloro-2'-chloro-4'-nitrosalicylanilide; nicolsamide; HL 2447; WR 46234; UNII-8KK8CQ2K8G; ENT 25823; 2-Hydroxy-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide; N-(2-Chloro-4-nitrophenyl)-5-chlorosalicylamide; Niclosamide Anhydrous; 2-Chloro-4-nitrophenylamide-6-chlorosalicylic acid; Salicylanilide, 2',5-dichloro-4'-nitro-; 2',5-Dichlor-4'-nitro-salizylsaeureanilid; 5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide; 8KK8CQ2K8G; SR 73; Radewerm; N-(2'-Chlor-4'-nitrophenyl)-5-chlorsalicylamid; MFCD00057597; NSC-178296; CAS-50-65-7; NCGC00015735-07; DSSTox_CID_20362; DSSTox_RID_79485; DSSTox_GSID_40362; N-(2'-Chloro-4'-nitrophenyl)-5-chlorosalicylamide; Niclosamida; Niclosamidum; Cestocide; Niclosamidum [INN-Latin]; Niclosamida [INN-Spanish]; Nitrophenyl chlorsalicylamide; Niclosamide [USAN:INN:BAN]; CCRIS 3437; HSDB 1572; SR-01000076024; Niclosamide [BSI:ISO]; EINECS 200-056-8; NSC 178296; BRN 2820605; Yomensan; niclo-samide; AI3-25823; 5-Chlorosalicyloyl-(o-chloro-p-nitranilide); B 2353; Niclocide (TN); Prestwick_354; 2',5-Dichlor-4'-nitro-salizylsaeureanilid [German]; Niclosamidum anhydrous; Mollutox (Salt/Mix); Niclosamide, anhydrous; N-(2'-Chlor-4'-nitrophenyl)-5-chlorsalicylamid [German]; Spectrum_000239; Niclosamide (anhydrous); Niclosamide (Niclocide); Clonitralid (Salt/Mix); Clonitralide (Salt/Mix); Prestwick0_000040; Prestwick1_000040; Prestwick2_000040; Prestwick3_000040; Spectrum2_001183; Spectrum3_000667; Spectrum4_000196; Spectrum5_001083; Lopac-N-3510; Niclosamide (USAN/INN); CHEMBL1448; Lopac0_000866; Oprea1_259151; SCHEMBL67182; BSPBio_000139; BSPBio_002333; KBioGR_000771; KBioSS_000719; MLS002154181; DivK1c_000709; SPECTRUM1503265; SPBio_001225; SPBio_002060; BPBio1_000153; CHEBI:7553; GTPL8494; DTXSID7040362; SCHEMBL18563900; WLN: WNR CG DMVR BQ EG; BDBM11242; HMS502D11; KBio1_000709; KBio2_000719; KBio2_003287; KBio2_005855; KBio3_001553; 5-Chloro-N-(2-chloro-4-nitro-phenyl)-2-hydroxy-benzamide; Niclosamide - CAS 50-65-7; NINDS_000709; BDBM513089; HMS1568G21; HMS2093A21; HMS2095G21; HMS2231H06; HMS3262N13; HMS3373P08; HMS3712G21; KUC107299N; Pharmakon1600-01503265; BAY-2353; BCP22958; HY-B0497; ZINC3874496; Tox21_110209; Tox21_300749; Tox21_500866; BBL004110; CCG-39641; NSC178296; NSC758440; s3030; Salicylanilide,5-dichloro-4'-nitro-; STK396676; 2,5-dichloro-4-nitrosalicylanilide  ; AKOS003589004; Tox21_110209_1; AT15436; BCP9000068; DB06803; KS-5210; LP00866; MCULE-9985514311; NSC-758440; SB19414; SDCCGSBI-0050841.P004; 2',5'-Dichloro-4'-nitrosalicylanilide; IDI1_000709; SMP2_000228; 5-chloro-N-(2-chloro-4-nitrophenyl)-; NCGC00015735-01; NCGC00015735-02; NCGC00015735-03; NCGC00015735-04; NCGC00015735-05; NCGC00015735-06; NCGC00015735-08; NCGC00015735-09; NCGC00015735-11; NCGC00015735-12; NCGC00015735-24; NCGC00094190-01; NCGC00094190-02; NCGC00094190-03; NCGC00094190-04; NCGC00254654-01; NCGC00261551-01; I012; KSC-18-157-2; SMR000058390; Niclosamide 100 microg/mL in Acetonitrile; SBI-0050841.P003; AB0013423; DB-051812; VU0243604; AB00052340; EU-0100866; FT-0603220; EN300-92958; D00436; N 3510; AB00052340_08; AB00052340_09; A828227; Q418523; Q-201469; SR-01000076024-1; SR-01000076024-3; SR-01000076024-6; BRD-K35960502-001-06-9; BRD-K35960502-001-11-9; Z57902203; 5-Chloro-N-(2-chloro-4-nitrophenyl) -2-hydroxybenzamide; 5-chloranyl-N-(2-chloranyl-4-nitro-phenyl)-2-oxidanyl-benzamide; Niclosamide (anhydrous), European Pharmacopoeia (EP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB06803	.	.	327.12	C13H8Cl2N2O4	95.2	404	4	21	2	4	2	"1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)"	C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O	RJMUSRYZPJIFPJ-UHFFFAOYSA-N
DG00486	Fluoroquinolone	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00532	Remdesivir	121304016	"1809249-37-3; 3QKI37EEHE; GS 5734; GS 5734 [WHO-DD]; GS-5734; GS5734; Remdesivir; REMDESIVIR [INN]; Remdesivir [USAN]; REMDESIVIR [WHO-DD]; remdesivirum; UNII-3QKI37EEHE; Veklury; 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate; 2-Ethylbutyl (2S)-2-(((S)-(((2R,3S,4R,5R)-5-(4-aminopyrrolo(2,1-f)(1,2,4)triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)amino)propanoate; 2-ethylbutyl (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate; Veklury (TN); Remdesivir (JAN/USAN); Remdesivir (GS-5734); CHEMBL4065616; SCHEMBL17712225; GTPL10715; med.21724, Compound 178; CHEBI:145994; BDBM429505; EX-A3265; MFCD31657351; NSC825151; s8932; AT11308; BCP24975-1; DB14761; DT-0049; NSC-825151; compound 4b [PMID: 28124907]; NCGC00686694-01; 2-ethylbutyl (2S)-2-(((2R, 3S, 4R, 5R)-5-(4-aminopyrrolo(2,1-f) (1,2,4)triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl) methoxy)(phenoxy) phosphoryl) amino) propanoate; AC-31297; GS- 5734; L-Alanine, N-((S)-hydroxyphenoxyphosphinyl)-, 2-ethylbutyl ester, 6-ester with 2-C-(4-aminopyrrolo(2,1-f)(1,2,4)triazin-7-yl)-2,5-anhydro-D-altrononitrile; HY-104077; CS-0028115; D11472; (2S)-2-{(2R,3S,4R,5R)-[5-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]phenoxy-(S)-phosphorylamino}propionic acid 2-ethyl-butyl ester; (S)-2-ethylbutyl 2-(((S)-(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)amino)propanoate; (S)-2-Ethylbutyl 2-((S)-(((2R,3S,4R,5R)-5-(4-aminopyrrolo[1,2-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorylamino)propanoate; 2-ethylbutyl (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-{4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl}-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate; 2-ethylbutyl N-[(S)-{[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]-L-alaninate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB14761	.	.	602.6	C27H35N6O8P	204	1010	1.9	42	4	13	14	"1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1"	CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4	RWWYLEGWBNMMLJ-YSOARWBDSA-N
DG00649	Nitrazepam	4506	"Nitrazepam; Benzalin; 146-22-5; Neozepam; Imeson; Mogadon; Remnos; Neuchlonic; Apodorm; Calsmin; Eunoctin; Imesont; Nitrados; Radedorm; Sonebon; Trazenin; Hipnax; Hipsal; Nelmat; Surem; Epibenzalin; Epinelbon; Nitrenpax; Somitran; Sonnolin; Unisomnia; Cerson; Dumolid; Nelbon; Paxisyn; Pelson; Relact; N-Desmethylnimetazepam; Persopit; Gerson; Ibrovek; Eatan; Dormin-5; Nitrazepamum; 1,3-Dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one; Mogadone; Magadon; Megadon; Mogadan; Ro 4-5360; Nitrazepamum [INN-Latin]; Ro 5-3059; 7-Nitro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one; LA 1; 7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one; NSC-58775; 7-Nitro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one; S 2000; 7-Nitro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one; UNII-9CLV70W7HS; 2,3-Dihydro-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-on; 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-nitro-5-phenyl-; Dormo-Puren; Mitidin; 9CLV70W7HS; CHEMBL13209; Eatan N; CHEBI:7581; Somnite; NSC58775; NCGC00159358-02; 2,3-dihydro-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-one; Calsamin; Eunoktin; Ipersed; Nitravet; Nitrempax; Noctesed; Pacisyn; Somnased; Somnibel; DSSTox_CID_3372; LA 1 (VAN); Dormicum (anticonvulsant); DSSTox_RID_77000; DSSTox_GSID_23372; Nitrazepam [USAN:INN:BAN:JAN]; Nitrazepam (TN); Benzalin (TN); CAS-146-22-5; SMR000058302; CCRIS 1931; EINECS 205-665-2; NSC 58775; BRN 0757185; DEA No. 2834; ISOPROPYLACETATE/NITRAZEPAM; N05CD02; Ro 53-60; ChemDiv1_022312; Oprea1_476234; SCHEMBL35202; 5-24-04-00344 (Beilstein Handbook Reference); MLS001304053; MLS001424061; DTXSID5023372; Nitrazepam (JP17/USAN/INN); HMS650G04; KJONHKAYOJNZEC-UHFFFAOYSA-; 1, 3-Dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one; HMS2051F19; HMS2272G03; HMS3393F19; 7-Nitro-1,4-benzodiazepin-2-one; NITRAZEPAM METHANOL SOLUTION; ZINC4311748; Tox21_111601; BDBM50020856; PDSP1_000120; PDSP2_000120; Ro-45360; Ro-53059; STK806322; AKOS002254707; Nitrazepam 0.1 mg/ml in Acetonitrile; Nitrazepam 1.0 mg/ml in Acetonitrile; Tox21_111601_1; WLN: T67 GMV JN IHJ CNW KR; AB02342; AC-4537; CCG-100977; DB01595; MCULE-3394241963; NC00227; NCGC00159358-03; 2H-1, 1,3-dihydro-7-nitro-5-phenyl-; 7-Nitro-5-phenyl-2,4-benzodiazepin-2-one; DB-042832; RO-4-5360; RO-5-3059; C07487; D00531; 146N225; A808471; Q410078; 7-nitro-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one; Nitrazepam, British Pharmacopoeia (BP) Reference Standard; Nitrazepam, European Pharmacopoeia (EP) Reference Standard; (Z)-7-nitro-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one; 1,3-Dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepine-2-one; 7-Nitro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one #; 7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one; Nitrazepam solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7581	DB01595	.	DR1166	281.27	C15H11N3O3	87.3	452	2.2	21	1	4	1	"1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)"	C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3	KJONHKAYOJNZEC-UHFFFAOYSA-N
DG00650	Ranibizumab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB01270	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00652	Afuresertib	46843057	"Afuresertib; 1047644-62-1; GSK-2110183; GSK2110183C; UNII-8739X25QI3; GSK 2110183C; ASB183; Afuresertib (GSK2110183); ASB-183; 8739X25QI3; N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methylpyrazol-3-yl)thiophene-2-carboxamide; Afuresertib [USAN:INN]; 2-Thiophenecarboxamide, N-((1S)-2-amino-1-((3-fluorophenyl)methyl)ethyl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-; 2-Thiophenecarboxamide, N-[(1S)-2-amino-1-[(3-fluorophenyl)methyl]ethyl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-; Afuresertib (USAN); SCHEMBL187686; GTPL7890; Afuresrtib (GSK2110183); CHEMBL2219422; DTXSID60146711; CHEBI:131168; AOB87168; BCP08435; EX-A1574; BDBM50502477; NSC778305; NSC781255; NSC800109; NSC829868; s7521; ZINC43197674; CCG-268972; CS-3384; DB11648; NSC-778305; NSC-781255; NSC-800109; NSC-829868; GSK 2110183; NCGC00387879-03; BA166066; BS-14212; HY-15727; A16392; D10381; D71036; A853608; Afuresertib, GSK-2110183, GSK-2110183B; Q27224945; N-((1S)-1-(aminomethyl)-2-(3-fluorophenyl)ethyl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxamide; N-((S)-1-amino-3-(3-fluorophenyl)propan-2-yl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxamide; N-((S)-1-amino-3-(3-fluorophenyl)propan-2-yl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxamide;Afuresertib; N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxamide; N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methyl-3-pyrazolyl)-2-thiophenecarboxamide; N-{(1S)-2-amino-1-[(3-fluorophenyl)methyl]ethyl}-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:131168	DB11648	.	.	427.3	C18H17Cl2FN4OS	101	520	4	27	2	5	6	"1S/C18H17Cl2FN4OS/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26)/t12-/m0/s1"	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N
DG00653	Mebendazole	4030	"Mebendazole; 31431-39-7; Vermox; Telmin; Mebenvet; Pantelmin; Ovitelmin; Vermirax; Mebenoazole; Vermicidin; Bantenol; Mebutar; Lomper; MBDZ; Besantin; Verpanyl; Noverme; Mebendazol; Mebendazolum; Methyl (5-benzoyl-1H-benzo[d]imidazol-2-yl)carbamate; 5-Benzoyl-2-benzimidazolecarbamic acid methyl ester; Carbamic acid, (5-benzoyl-1H-benzimidazol-2-yl)-, methyl ester; Methyl 5-benzoyl-2-benzimidazolecarbamate; Methyl 5-benzoyl-2-benzimidazolylcarbamate; Methyl 5-benzoyl benzimidazole-2-carbamate; methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate; R 17635; methyl (5-benzoyl-1H-benzimidazol-2-yl)carbamate; (5-Benzoyl-1H-benzimidazol-2-yl)-carbamic acid methyl ester; MFCD00057872; R 17,635; Methyl N-(5-benzoyl-1H-benzimidazol-2-yl)carbamate; CCRIS 4479; methyl N-(6-benzoyl-1H-1,3-benzodiazol-2-yl)carbamate; NSC 184849; UNII-81G6I5V05I; 2-Benzimidazolecarbamic acid, 5-benzoyl-, methyl ester; Sufil; CHEMBL685; N-2 (5-Benzoyl-benzimidazole) carbamate de methyle; N-(Benzoyl-5, benzimidazolyl)-2, carbamate de methyle; CHEBI:6704; Carbamic acid, N-(5-benzoylbenzimidazol-2-yl)-, methyl ester; Versid; Methyl 6-benzoyl-1H-benzimidazol-2-ylcarbamate; 81G6I5V05I; 5-Benzoyl-2-benzimidazolecarbamic acid, methyl ester; NSC184849; NSC-184849; methyl [5-(phenylcarbonyl)-1H-benzimidazol-2-yl]carbamate; NCGC00016806-01; (5-Benzoyl-1H-benzimidazol-2-yl)carbamic acid methyl ester; 2-Benzimidazolecarbamic acid, 5-benzoyl-, methyl ester (8CI); Mebex; CAS-31431-39-7; Equivurm Plus; DSSTox_CID_20682; DSSTox_RID_79538; DSSTox_GSID_40682; Mebendazol [INN-Spanish]; Mebendazolum [INN-Latin]; Vermox (TN); Emverm; SMR000036734; HSDB 3232; Mebendazole Polymorph C; SR-01000003109; EINECS 250-635-4; Methyl N-(5-benzoyl-2-benzimidazolyl)carbamate; Zhihuanqing; Mebatreat; Mebendazole (JAN/USP/INN); Equivurmp Plus; N-2 (5-Benzoyl-benzimidazole) carbamate de methyle [French]; Mebendazole,(S); N-(Benzoyl-5, benzimidazolyl)-2, carbamate de methyle [French]; V95; Prestwick_310; Mebendazole; 4030; Mebendazole [USAN:USP:INN:BAN:JAN]; Spectrum_001298; CPD000036734; Prestwick0_000217; Prestwick1_000217; Prestwick2_000217; Prestwick3_000217; Spectrum2_001401; Spectrum3_001439; Spectrum4_000416; Spectrum5_001381; Probes1_000013; Probes2_000149; Cambridge id 5250893; Methyl [5-(Benzoyl)benzimidazol-2-yl]carbamate; TimTec1_000869; Oprea1_278237; Oprea1_768530; R-17635; SCHEMBL15860; BSPBio_000233; BSPBio_003178; CBDivE_010559; KBioGR_000712; KBioSS_001778; MLS000028491; MLS006011879; BIDD:GT0087; DivK1c_000751; SPECTRUM1501110; SPBio_001442; SPBio_002154; BPBio1_000257; methyl N-[6-(benzoyl)-1H-benzimidazol-2-yl]carbamate; DTXSID4040682; HMS502F13; KBio1_000751; KBio2_001778; KBio2_004346; KBio2_006914; KBio3_002398; NINDS_000751; HMS1536H11; HMS1568L15; HMS1921F03; HMS2090B03; HMS2092B15; HMS2095L15; HMS3259B11; HMS3604N11; HMS3712L15; Pharmakon1600-01501110; ZINC121541; Tox21_110620; BBL008298; BDBM50180753; CCG-39628; MMV003152; NSC757838; s4610; STK093862; AKOS000539066; AKOS015896232; Carbamic acid, (5-benzoyl-1H-benzimidazol-2-yl)-, methyl ester (9CI); Tox21_110620_1; CS-3974; DB00643; MCULE-4133611535; NC00639; NSC-757838; IDI1_000751; NCGC00016806-02; NCGC00016806-03; NCGC00016806-04; NCGC00016806-05; NCGC00016806-06; NCGC00016806-07; NCGC00016806-08; NCGC00016806-09; NCGC00016806-10; NCGC00016806-12; NCGC00016806-13; NCGC00021698-03; NCGC00021698-04; NCGC00021698-05; NCGC00021698-06; NCGC00021698-07; AC-12064; AS-12272; HY-17595; SY051142; SBI-0051641.P002; AB00052203; FT-0628179; FT-0628180; M2273; EN300-50844; D00368; D70118; K-6451; 5-Benzoyl-2-benzimidazolylcarbamicacidmethylester; AB00052203-09; AB00052203_10; Mebendazole, VETRANAL(TM), analytical standard; 431M397; A820852; AG-205/04588045; Mebendazole, analytical standard, >=98% (HPLC); Methyl (6-benzoyl-1H-benzimidazol-2-yl)carbamate; Q422194; methyl 5-benzoyl-1H-benzo[d]imidazol-2-ylcarbamate; SR-01000003109-2; SR-01000003109-3; W-106901; BRD-K77987382-001-01-7; BRD-K77987382-001-06-6; BRD-K77987382-001-08-2; SR-01000003109-10; methyl N-(5-benzoyl-1H-1,3-benzimidazol-2-yl)carbamate; Z234895185; 5-Benzoyl-1H-benzimidazol-2-yl carbamic acid methyl ester;; Mebendazole, European Pharmacopoeia (EP) Reference Standard; Mebendazole, United States Pharmacopeia (USP) Reference Standard; Mebendazole for system suitability, European Pharmacopoeia (EP) Reference Standard; Mebendazole Polymorph C, United States Pharmacopeia (USP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6704	DB00643	DR00633	DR1005	295.29	C16H13N3O3	84.1	423	2.8	22	2	4	4	"1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3	OPXLLQIJSORQAM-UHFFFAOYSA-N
DG00654	Methimazole	1349907	"Methimazole; 60-56-0; thiamazole; Tapazole; 2-Mercapto-1-methylimidazole; Methimazol; 1-Methylimidazole-2-thiol; Mercazole; Mercazolyl; Metazolo; Thymidazol; Thymidazole; Mercaptazole; Merkazolil; Metothyrin; Metothyrine; Strumazol; Thiamazol; Thycapzol; Basolan; Favistan; 1-Methyl-1H-imidazole-2-thiol; Danantizol; Frentirox; Merkastan; Metotirin; Thacapzol; Thycapsol; Metizol; Mercasolyl; Methylmercaptoimidazole; 1-Methyl-2-mercaptoimidazole; Methiamazole; 2H-Imidazole-2-thione, 1,3-dihydro-1-methyl-; 3-methyl-1H-imidazole-2-thione; Usaf el-30; N-Methyl-2-mercaptoimidazole; Tapuzole; Thimazole; 1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE; 1-Methyl-2-imidazolethiol; 1-Methyl-1H-imidazole-2(3H)-thione; 2-Mercaptomethylimidazole; 1,3-Dihydro-1-methyl-2H-imidazole-2-thione; 1-Methylimidazole-2(3H)-thione; Imidazole-2-thiol, 1-methyl-; 1-Metylo 2 merkaptoimidazolem; 1-Methyl-1,3-dihydroimidazole-2-thione; 4-Imidazoline-2-thione, 1-methyl-; MFCD00179321; Methimazole (USP); Methimazole [USP]; UNII-554Z48XN5E; Tiamazol; CHEMBL1515; Mercazolylum; Methimazolum; Metimazol; 1-methyl-2,3-dihydro-1H-imidazole-2-thione; CHEBI:50673; Imidazole, 1-methyl-2-mercapto-; 554Z48XN5E; NSC38608; NSC-38608; CAS-60-56-0; Tiamazolo [DCIT]; NCGC00016273-01; Methamazole; Thiamazolum; Strumazole; Tiamazolo; DSSTox_CID_820; Thiamazol [INN-French]; Tiamazol [INN-Spanish]; DSSTox_RID_75808; DSSTox_GSID_20820; Thiamazolum [INN-Latin]; MMZ; Felimazole; Tapazole (TN); 223768-14-7; 85916-84-3; SMR000058376; 1-Metylo 2 merkaptoimidazolem [Polish]; HSDB 3361; SR-05000001672; EINECS 200-482-4; NSC 38608; 1-Methyl-imidazole-2-thiol; tiamazole; Mercaptizole; AI3-60285; 1,3-Dihydro-1-Methyl-2H-Imidazol-2-Thione; Thiamazole,(S); 2-Mercapto-1-methyl-1H-imidazole; Thiamazole [INN]; Prestwick_1010; Spectrum_000995; Prestwick0_000786; Prestwick1_000786; Prestwick2_000786; Prestwick3_000786; Spectrum2_001273; Spectrum3_000495; Spectrum4_000048; Spectrum5_000954; M0868; Thiamazole (JP17/INN); 1-methylimidazole-2-thione; Methimazole-d3(methyl-d3); N-methyl imidazole-2-thiol; 2-mecapto 1-methylimidazole; 2-Mercapto-1-methylimidazol; 2-mercapto-N-methylimidazole; SCHEMBL41647; 2-mercapto-3-methylimidazole; BSPBio_000892; BSPBio_001989; KBioGR_000515; KBioSS_001475; MLS000028413; MLS002548853; BIDD:GT0163; DivK1c_000188; SPECTRUM1500396; WLN: T5N CNJ A BSH; 1-methyl-2-mercapto-imidazole; 2-mercapto-1-methyl-imidazole; SPBio_001266; SPBio_002831; 1-Methyl-2-mercapto imidazole; Imidazole-2-thio, 1-methyl-; BPBio1_000982; GTPL6649; Methimazole, analytical standard; DTXSID4020820; Methimazole (Tapazole, Northyx); 1-methyl-1H-immidazole-2-thiol; 1-methyl-3H-imidazole-2-thione; HMS500J10; KBio1_000188; KBio2_001475; KBio2_004043; KBio2_006611; KBio3_001489; 1-methyl-1-H-imidazole-2-thiol; NINDS_000188; HMS1570M14; HMS1920L17; HMS2090B17; HMS2091D12; HMS2094C05; HMS2097M14; HMS3259L09; HMS3651I13; HMS3714M14; Pharmakon1600-01500396; 1-Methyl-1H-imidazole-2-thiol #; AMY11202; BCP02147; HY-B0208; STR03572; ZINC1187543; Tox21_110341; Tox21_201341; Tox21_300532; AC-785; BDBM50241361; CCG-39656; HTS001687; NSC757111; s1609; STK300018; STK802184; AKOS000119427; AKOS000269708; Tox21_110341_1; BS-3743; CCG-220786; DB00763; MCULE-9902292741; NC00636; NSC-757111; 2-Mercapto-1-methylimidazole, >=99%; IDI1_000188; NCGC00016273-02; NCGC00016273-03; NCGC00094721-01; NCGC00094721-02; NCGC00094721-03; NCGC00094721-04; NCGC00094721-05; NCGC00094721-06; NCGC00094721-07; NCGC00178875-01; NCGC00254307-01; NCGC00258893-01; Methimazol 100 microg/mL in Acetonitrile; Q813; SBI-0206922.P001; SBI-0206922.P004; DB-053649; Methimazole; ; ; 2-mercapto-1-methylimidazole; 2H-Imidazole-2-thione,3-dihydro-1-methyl-; FT-0603253; SW197088-3; C07190; D00401; H10722; AB00443630-03; AB00443630-04; AB00443630_06; AB00443630_07; Methimazole, VETRANAL(TM), analytical standard; A832780; Q419663; SR-01000695434; Q-201364; SR-01000695434-2; SR-05000001672-1; SR-05000001672-2; BRD-K54416256-001-15-7; Z57901905; F0001-2396; F1679-0258; Thiamazole, European Pharmacopoeia (EP) Reference Standard; Methimazole, United States Pharmacopeia (USP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:50673	DB00763	DR00667	DR2515	114.17	C4H6N2S	47.4	119	-0.3	7	1	1	0	"1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)"	CN1C=CNC1=S	PMRYVIKBURPHAH-UHFFFAOYSA-N
DG00655	Nucleoside analogs	.	.	Approved	1	Approved Drug(s)	Approved	Biotech	.	.	DB06688	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00656	Pirfenidone	40632	"PIRFENIDONE; 53179-13-8; 5-methyl-1-phenylpyridin-2(1H)-one; Esbriet; Deskar; AMR-69; Pirespa; 5-Methyl-1-phenyl-2-(1H)-pyridone; Pirfenidonum; Pirfenidona; 5-methyl-1-phenylpyridin-2-one; 5-methyl-1-phenyl-2(1H)-pyridinone; 2(1H)-Pyridinone, 5-methyl-1-phenyl-; AMR 69; 5-Methyl-1-phenyl-1H-pyridin-2-one; 5-Methyl-1-phenyl-2(1H)-pyridone; 5-methyl-1-phenyl-2-pyridinone; UNII-D7NLD2JX7U; MFCD00866047; D7NLD2JX7U; AMR69; CHEBI:32016; S-7701; NSC-748456; NCGC00015806-03; DSSTox_CID_25183; DSSTox_RID_80731; DSSTox_GSID_45183; Pirfenidone [USAN:INN]; Pirfenidonum [INN-Latin]; Pirfenidona [INN-Spanish]; CAS-53179-13-8; SR-01000076061; BRN 1526549; Prfendone; Pirfenidone (JAN/USAN/INN); 5-methyl-1-phenyl-pyridin-2-one; Pirfenidone-[d3]; Esbriet (TN); Pirfenidone- Bio-X; Pirfenidone(AMR69); KS-5041; 2(1H)-Pyridone, 5-methyl-1-phenyl-; Tocris-1093; Lopac-P-2116; F-647; P 2116; SCHEMBL4708; Lopac0_000907; 5-21-07-00197 (Beilstein Handbook Reference); MLS000860042; 5-Methyl-1-phenyl-2-pyridone; GTPL7532; ZINC1958; CHEMBL1256391; DTXSID4045183; 1-phenyl-5-methyl-2-pyridinone; HSDB 8340; Pirfenidone, >=97% (HPLC); Bio1_000397; Bio1_000886; Bio1_001375; HMS2234G24; HMS3262F16; HMS3267I06; HMS3372A08; HMS3412G13; HMS3651P08; HMS3676G13; AOB31717; BCP04473; HY-B0673; Tox21 110225; Tox21_110225; Tox21_500907; BDBM50005201; NSC748456; s2907; AKOS006273697; S-7701,AMR-69; Tox21_110225_1; AB07515; AC-6797; AM84939; CCG-204989; DB04951; LP00907; NSC 748456; SDCCGSBI-0050882.P002; NCGC00015806-01; NCGC00015806-02; NCGC00015806-04; NCGC00015806-05; NCGC00015806-06; NCGC00015806-17; NCGC00024992-01; NCGC00024992-02; NCGC00024992-03; NCGC00261592-01; 5-METHYL-N-PHENYL-2-1H-PYRIDONE; BM164275; H960; SMR000326900; SY034783; B2288; EU-0100907; FT-0602686; FT-0672092; P1871; SW220156-1; D01583; J90039; 5-Methyl-N-phenyl-2-1H-pyridone [Pirfenidone]; 179P138; A829431; J-523979; Q2060696; SR-01000076061-1; SR-01000076061-3; BRD-K96862998-001-03-1; BRD-K96862998-001-09-8; Pirfenidone, European Pharmacopoeia (EP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32016	DB04951	.	DR1299	185.22	C12H11NO	20.3	285	1.9	14	0	1	1	"1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3"	CC1=CN(C(=O)C=C1)C2=CC=CC=C2	ISWRGOKTTBVCFA-UHFFFAOYSA-N
DG00658	Pregabalin	5486971	"Pregabalin; 148553-50-8; Lyrica; (S)-3-(Aminomethyl)-5-methylhexanoic acid; 3-isobutyl GABA; (3S)-3-(aminomethyl)-5-methylhexanoic acid; CI-1008; (S)-Pregabalin; Hexanoic acid, 3-(aminomethyl)-5-methyl-, (3S)-; CI 1008; PD 144723; UNII-55JG375S6M; PD-144723; (S)-3-Isobutyl GABA; CHEMBL1059; CHEBI:64356; (3S)-3-(aminomethyl)-5-methyl-hexanoic acid; 55JG375S6M; MFCD00917044; Hexanoic acid, 3-(aminomethyl)-5-ethyl-, (3S)-; (R-)-3-isobutyl GABA; Hexanoic acid, 3-(aminomethyl)-5-methyl-, (S)-; Pregabalina; Pregabaline; Vronogabic; Nervalin; Pregablin; Pregabalin mylan; Pregabalin sandoz; HSDB 7530; Pregabalin zentiva; NSC-759256; Pregabalin [USAN:INN:BAN:JAN]; NCGC00095186-01; Pregabalin- Bio-X; Lyrica (TN); Pregabalin sandoz gmbh; (S)-3-(Aminomethyl)-5-methylhexanoicacid; SCHEMBL8227; DSSTox_CID_25950; DSSTox_RID_81246; DSSTox_GSID_45950; Pregabalin (JAN/USAN/INN); (S)-(+)-4-amino-3-(2-methylpropyl)butanoic acid; GTPL5484; ZINC5152; DEA No. 2782; Pregabalin, >=97% (NMR); DTXSID1045950; HMS3715J16; Pregabalin 1.0 mg/ml in Methanol; YNP-1807; Tox21_111475; BDBM50164279; AKOS001476611; AKOS005145504; Lyrica;CI-1008;PD-144723; AC-1158; CCG-221247; CM14412; CS-1247; DB00230; KS-5378; NSC 759256; (S)-3-aminomethyl-5-methylhexanoic acid; NCGC00346738-01; 121GE001; BP163672; HY-17414; (S)-3-Aminomethyl-5-methyl-hexanoic acid; AM20080369; CAS-148553-50-8; EN300-92104; (3S)-3-(aminomethyl)-5-methyl hexanoic acid; (S)-(+)-3-Aminomethyl-5-Methylhexanoic Acid; D02716; AB01563007_01; 553P508; A808784; Q412174; SR-01000942257; SR-01000942257-2; Pregabalin, EuropePharmacopoeia (EP) Reference Standard; Z2757554242; 1414928-41-8"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	. 	DB00230	DR01255	.	159.23	C8H17NO2	63.3	123	-1.6	11	2	3	5	"1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1"	CC(C)C[C@@H](CC(=O)O)CN	AYXYPKUFHZROOJ-ZETCQYMHSA-N
DG00663	Bromevinyldeoxyuridine	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00664	Phosphonic acid derivative	.	.	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01077	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00665	Trabectedin	108150	"Trabectedin; Yondelis; Ecteinascidin; ecteinascidin 743; ET-743; 114899-77-3; Ect 743; UNII-ID0YZQ2TCP; ET743; ID0YZQ2TCP; Et 743; CHEBI:84050; DSSTox_CID_26880; DSSTox_RID_81984; DSSTox_GSID_46880; [(1R,2R,3R,11S,12S,14R,26R)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate; Ecteinascidine 743; Ecteinascidin-743; CAS-114899-77-3; NSC 648766; NSC 684766; Trabectedin [USAN:INN:BAN]; CCRIS 8133; NSC-648766; C39H43N3O11S; NCGC00181159-01; NCGC00181159-02; Ecteinascidins trabectedin; CHEMBL450449; GTPL2774; DTXSID2046880; SCHEMBL12119916; EX-A4317; Tox21_112762; Tox21_113236; NSC813783; ZINC150338708; CS-1608; DB05109; NSC-684766; NSC-813783; (1'R,6R,6aR,7R,13S,14S,16R)-6',8,14-Trihydroxy-7',9-dimethoxy-4,10,23-trimethyl-19-oxo-3',4',6,7,12,13,14,16-octahydrospiro(6,16-(epithiopropanooxymethano)-7,13-imino-6aH-1,3-dioxolo(7,8)isoquino(3,2-b)(3)benzazocine-20,1'(2'H)-isoquinolin)-5-yl acetate; AC-27767; Ecteinascidin 743;ET-743;Ecteinascidin; HY-50936; Spiro(6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo(7,8)isoquino(3,2,-b)(3)benzazocine-20,1'(2'H)-isoquinolin)-19-one, 3',4',6,6a,7,13,14,16-octahydro-5-(acetyloxy)-6',8,14-trihydroxy-7',9-dimethoxy-4,10,23-trimethyl-, (6R-(6-alpha,6a-beta,7-beta,13-beta,14-beta,16-alpha,20R*))-; Spiro(6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo(7,8)isoquino(3,2,-b)(3)benzazocine-20,1'(2'H)-isoquinolin)-19-one, 5-(acetyloxy)-3',4',6,6a,7,13,14,16-octahydro-6',8,14-trihydroxy-7',9-dimethoxy-4,10,23-trimethyl-, (1'R,6R,6aR,7R,13S,14S,16R)-; X5006; Q2637746; Ecteinascidin 743; ; ; ET-743; ; ; Yondelis; ; ; NSC-684766; (1R,2R,3R,11S,12S,14R,26R)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxo-3',4'-dihydro-2'H-17,19,28-trioxa-24-thia-13,30-diazaspiro[heptacyclo[12.9.6.1^{3,11}.0^{2,13}.0^{4,9}.0^{15,23}.0^{16,20}]triacontane-26,1'-isoquinoline]-4(9),5,7,15(23),16(20),21-hexaen-22-yl acetate; (6R,6aR,7R,13S,14S,16R,20R)-6',8,14-trihydroxy-7',9-dimethoxy-4,10,23-trimethyl-19-oxo-3',4',6,7,12,13,14,16-octahydro-2'H,6aH-spiro[7,13-epimino-6,16-(epithiopropanooxymethano)[1,3]dioxolo[7,8]isoquinolino[3,2-b][3]benzazocine-20,1'-isoquinolin]-5-yl acetate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	. 	DB05109	DR01213	DR1625	761.8	C39H43N3O11S	194	1450	3.4	54	4	15	4	"1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1"	CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O	PKVRCIRHQMSYJX-AIFWHQITSA-N
DG00666	1-Acetyllycorine	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:31045	DB00069	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00667	Fusidic acid	3000226	"Fusidic acid; Fusidine; 6990-06-3; Ramycin; Fucithalmic; Fucidic acid; Fucidin acid; Fusidate; FUCIDIN; Fucidate; Flucidin; Taksta; SQ 16,603; (-)-Fusidic acid; (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid; SQ 16603; UNII-59XE10C19C; MLS001332649; CHEBI:29013; CEM-102; 59XE10C19C; MFCD00865135; NSC-56192; SMR000857101; (2E)-2-[(3R,4S,5S,8S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid; Acide fusidique; Acido fusidico; Fusidinic Acid; Acidum fusidicum; (-)-16beta-acetoxy-3alpha,11alpha-dihydroxyfusida-17(20)Z,24-diene-21-oic acid; Anhydrous Fusidic Acid; (2Z)-2-[(3alpha,4alpha,5alpha,8alpha,9beta,11alpha,13alpha,14beta,16beta,17Z)-16-(acetyloxy)-3,11-dihydroxy-4,8,10,14-tetramethylgonan-17-ylidene]-6-methylhept-5-enoic acid; (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid; (Z)-2-((3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyldodecahydro-1H-cyclopenta[a]phenanthren-17(2H,10H,14H)-ylidene)-6-methylhept-5-enoic acid; Fusidic acid (USAN/INN); fusidic-acid; Fusidate Acid; 1qca; FUSIDICACID; C.A.S. 62,602; Prestwick2_000390; SCHEMBL25646; MLS001332650; MLS002207094; Acide fusidique [INN-French]; Acido fusidico [INN-Spanish]; Acidum fusidicum [INN-Latin]; CEM102; CHEMBL374975; DTXSID0023086; Fusidic acid [USAN:INN:BAN]; BDBM58924; cid_3000226; GTPL10815; AOB5628; HMS2235B11; ACT03304; EX-A3797; HY-B1350; NSC56192; ZINC8143796; EINECS 230-256-0; NSC 56192; s3971; 16-(Acetyloxy)-3,11-dihydroxy-29-nordammara-17(20),24-dien-21-oic acid; AKOS005146257; CCG-269829; DB02703; DS-3261; LMPR0106040001; NCGC00485232-01; (2Z)-2-[(17Z)-16beta-acetoxy-3alpha,11alpha-dihydroxy-4alpha,8alpha,10,14beta-tetramethyl-5alpha,9beta,13alpha-gonan-17-ylidene]-6-methylhept-5-enoic acid; 29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, (3alpha,4alpha,8alpha,9beta,11alpha,13alpha,14beta,16beta,17Z)-; SQ-16603; C.A.S. 62,602; Diethanolamine fusidate; CS-0013095; F1007; C06694; D04281; 990F063; Q259930; Q-201141; Fusidic acid, European Pharmacopoeia (EP) Reference Standard; Fusidic acid for peak identification, European Pharmacopoeia (EP) Reference Standard; (2Z)-2-[(3beta,4beta,5alpha,8alpha,9beta,11beta,13alpha,16beta,17Z)-16-(acetyloxy)-3,11-dihydroxy-4,8,10,14-tetramethylgonan-17-ylidene]-6-methylhept-5-enoic acid; (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-5-heptenoic acid; (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid; (3a,4a,8a,9b,11a,13a,147b,167b,17Z)-16-(Acetyloxy)-3,11-dihydroxy-29-nordammara-17(20),24-dien-21-oic acid; (3alpha,4alpha,8alpha,9beta,11alpha,13alpha,14beta,16beta,17Z)-16-(Acetyloxy)-3,11-dihydroxy-29-nordammara-17(20),24-dien-21-oic acid; (Z)-ent-16alpha-(acetyloxy)-3beta,11beta-dihydroxy-4beta,8,14- trimethyl-18-nor-5beta,10alpha-cholesta-17(20),24-dien-21-oate; 29-Nor-8.alpha.,13.alpha.,14.beta.-dammara-17(20),24-dien-21-oic acid, 3.alpha.,11.alpha.,16.beta.-trihydroxy-, 16-acetate, (Z)-; 29-Nor-8alpha,9beta,13alpha,14beta-dammara-17(20),24-dien-21-oic acid, 3alpha,11alpha,16beta-trihydroxy-, 16-acetate, (Z)- (8CI); 29-Nordammara-17(20), 16-(acetyloxy)-3,11-dihydroxy-, (3.alpha.,4.alpha.,8.alpha.,9.beta.,11.alpha.,13.alpha.,14.beta.,16.beta.,17Z)-; 29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, (3-alpha,4-alpha,8-alpha,9-beta,11-alpha,13-alpha,14-beta,16-beta,17Z)-; 29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, (3a,4a,8a,9b,11a,13a,14b,16b,17Z)-; 3.alpha.,16.beta.-Trihydroxy-29-nor-8.alpha.,9.beta.,13.alpha.,14.beta.-dammara-17(20),24-dien-21-oic acid 16-acetate; 3alpha,11alpha,16beta-Trihydroxy-29-nor-8alpha,9beta,13alpha,14beta-dammara-17(20),24-dien-21-oic acid 16-acetate; ent-(17Z)-16alpha-(Acetyloxy)-3beta,11beta-dihydroxy-4beta,8,14-trimethyl-18-nor-5beta,10alpha-cholesta-17(20),24-dien-21-oic acid hemihydrate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:29013	DB02703	.	DR0758	516.7	C31H48O6	104	994	5.5	37	3	6	6	"1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1"	C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\\C(=O)O)OC(=O)C)C)O)C	IECPWNUMDGFDKC-MZJAQBGESA-N
DG00668	Mupirocin	446596	"Mupirocin; 12650-69-0; Pseudomonic acid; Bactroban; Mupirocine; Centany; Pseudomonic acid A; Mupirocina; Mupirocinum; Bactoderm; Turixin; BRL 4910A; BRL-4910A; trans-Pseudomonic acid; 9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid; UNII-D0GX863OA5; Bactroban (TN); CHEMBL719; CHEBI:7025; D0GX863OA5; MRC; 6-Chloro-2,4-dimethoxy pyrimidine; MFCD01711620; NSC-759182; NCGC00164554-03; Plasimine; mupirocin calcium salt; 80558-54-9; L-talo-Non-2-enonic acid, 5,9-anhydro-2,3,4,8-tetradeoxy-8-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methylpropyl]oxiranyl]methyl]-3-methyl-, 8-carboxyoctyl ester, (2E)-; Mupirocine [French]; Mupirocinum [Latin]; Mupirocina [Spanish]; C26H44O9; Bactroban Ointment; BRL-4910F; 9-(((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyl)oxy)nonanoic acid; Centany (TN); Mupirocin Neo-Sensitabs; Mupirocin (USP/INN); SR-05000001947; 115074-43-6; 1jzs; Mupirocin [USAN:USP:INN:BAN]; Mupirocin,(S); 9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyloxy)nonanoic acid; mupirocin lithium salt; CPD000471888; SCHEMBL3291; DSSTox_CID_26438; DSSTox_RID_81614; DSSTox_GSID_46438; 8-Carboxyoctyl (E)-4-(2S,3R,4R,5S)-5-((2S,3S,4S,5S)-2,3-epoxy-5-hydroxy-4-methylhexyl)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)-3-methylcrotonat; MLS001074711; BIDD:GT0320; Mupirocin, Pseudomonic Acid A; cid_446596; SCHEMBL1027618; Pseudomonic acid A lithium salt; DTXSID0046438; CHEBI:94519; GTPL10916; AOB6353; HMS2234E20; HMS3259L05; HMS3712K03; Pharmakon1600-01505706; HY-B0958; ZINC4102194; Tox21_112183; BDBM50290686; MFCD11977847; NSC759182; NSC815348; AKOS015994756; Mupirocin, >=92% (HPLC), powder; CCG-213522; DB00410; FD12069; KS-5137; NC00620; NSC 759182; NSC-815348; NCGC00164554-05; NCGC00164554-06; (E)-(2S,3R,4R,5S)-5-((2S,3S,4S,5S)-2,3-Epoxy-5-hydroxy-4-methylhexyl)tetrahydro-3,4-dihydroxy-beta-methyl-2H-pyran-2-crotonic acid, ester with 9-hydroxynonanoic acid; AS-11580; SMR000471888; SBI-0206892.P001; CAS-12650-69-0; M2955; S4297; D01076; M-8680; AB01563109_01; Mupirocin, Antibiotic for Culture Media Use Only; Q413578; SR-05000001947-1; SR-05000001947-2; BRD-K15262564-001-06-9; Mupirocin, United States Pharmacopeia (USP) Reference Standard; 5,9-Anhydro-2,3,4,8-tetradeoxy-8-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-3-methyl-[2E,8[2S,3S(1S,2S)]]-L-talonon-2-enonic acid 8-carboxyoctyl ester; 9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)-tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyloxy)nonanoic acid; 9-((E)-4-{(2S,3R,4R,5S)-3,4-Dihydroxy-5-[(2S,3S)-3-((1S,2S)-2-hydroxy-1-methyl-propyl)-oxiranylmethyl]-tetrahydro-pyran-2-yl}-3-methyl-but-2-enoyloxy)-nonanoic acid; 9-((E)-4-{(2S,3R,4R,5S)-3,4-Dihydroxy-5-[(2S,3S)-3-((1S,2S)-2-hydroxy-1-methyl-propyl)oxiranylmethyl]tetrahydro-pyran-2-yl}-3-methyl-but-2-enoyloxy)nonanoic acid calcium salt; 9-((E)-4-{(2S,3R,4R,5S)-3,4-Dihydroxy-5-[(2S,3S)-3-((1S,2S)-2-hydroxy-1-methyl-propyl)oxiranylmethyl]tetrahydro-pyran-2-yl}-3-methyl-but-2-enoyloxy)nonanoic acid lithium salt; 9-({(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoyl}oxy)nonanoic acid; 9-(4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)-tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyloxy)nonanoic acid; 9-(4-{3,4-Dihydroxy-5-[3-(2-hydroxy-1-methyl-propyl)-oxiranylmethyl]-tetrahydro-pyran-2-yl}-3-methyl-but-2-enoyloxy)-nonanoic acid (Mupirocin); 9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3- [(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl] oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid; 9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-3-methyl-but-2-enoyl]oxynonanoic acid; 9-{[(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-{[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl}oxan-2-yl]-3-methylbut-2-enoyl]oxy}nonanoic acid; Nonanoic acid, 9-((3-methyl-1-oxo-4-(tetrahydro-3,4-dihydroxy-5-((3-(2-hydroxy-1-methylpropyl)oxiranyl)methyl)-2H-pyran-2-yl)-2-butenyl)oxy)-, (2S-(2alpha(E),3beta,4beta,5alpha(2R*,3R*(1R*,2R*))))-; rel-9-(((E)-4-((2S,3R,4R,5S)-3,4-Dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyl)oxy)nonanoic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7025	DB00410	.	.	500.6	C26H44O9	146	694	3	35	4	9	17	"1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1"	C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O	MINDHVHHQZYEEK-HBBNESRFSA-N
DG00669	Adamantane	9238	"ADAMANTANE; 281-23-2; Tricyclo[3.3.1.13,7]decane; Adamantan; Tricyclo[3.3.1.1(3,7)]decane; tricyclo[3.3.1.1~3,7~]decane; UNII-PJY633525U; CHEBI:40519; Tricyclo(3.3.1.13,7)decane; PJY633525U; MFCD00074719; A 0696; NSC 527913; tricyclo[3.3.1.1]decane; EINECS 206-001-4; NSC 527913; Adamantine; Adamantane (8CI); Adamantane; >99%; Adamantane, >=99%; EC 206-001-4; AMY793; CHEMBL1230831; DTXSID5022017; ZINC1271109; NSC527913; Tricyclo[3.3.1.1<3,7>]decane; Adamantane Tricyclo[3.3.1.1]decane; AKOS000119960; AKOS004908007; DB03627; DS-4960; NSC-527913; Tricyclo(3,3,1,1,<3,7>)-decane; AS-12242; DB-004015; A0696; CS-0022641; FT-0621893; S2869; D88553; A819332; Q351461; W-107075; F0001-0891"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB03627	.	.	136.23	C10H16	0	75.1	3.8	10	0	0	0	"1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2"	C1C2CC3CC1CC(C2)C3	ORILYTVJVMAKLC-UHFFFAOYSA-N
DG00670	Anti-TNFalpha	.	.	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	DB13151	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00671	Darbepoetin alfa	.	.	Approved	1	Approved Drug(s)	Approved	Recombinant protein	.	. 	DB00012	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00672	Eculizumab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB01257	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00673	Methoxy polyethylene glycol-epoetin beta	.	.	Approved	1	Approved Drug(s)	Approved	Polymeric compound	.	. 	DB09107	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00674	Retapamulin	6918462	"Retapamulin; 224452-66-8; Altabax; Altargo; SB-275833; SB 275833; UNII-4MG6O8991R; SB275833; 4MG6O8991R; [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]acetate; (3as,4r,5s,6s,8r,9r,9ar,10r)-5-Hydroxy-4,6,9,10-Tetramethyl-1-Oxo-6-Vinyldecahydro-3a,9-Propanocyclopenta[8]annulen-8-Yl {[(3-Exo)-8-Methyl-8-Azabicyclo[3.2.1]oct-3-Yl]thio}acetate; Retapamulin [USAN:INN:BAN]; NSC-759885; CHEMBL1658; SCHEMBL365459; C30H47NO4S; GTPL11035; CHEBI:166679; (3aS,4R,5S,6S,8R,9R,9aR,10R)-2-(exo-8-Methyl-8-azabicyclo[3.2.1]octan-3-ylsulfanyl)acetic acid 5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinylperhydro-3a,9-propanocyclopentacycloocten-8-yl ester; ZINC3931840; MFCD11045316; s4056; AKOS016008865; AKOS030485971; ZINC100013500; ZINC103660515; CCG-269837; CS-0618; DB01256; NSC 759885; NCGC00386248-01; AS-11455; HY-17010; AB01566905_01; 452R668; A851322; Q7316645; BRD-K33082088-001-03-3; (1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.0^{1,8}]tetradecan-6-yl 2-{[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl}acetate; (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propano-3aH-cyclopenta(8)annulen-8-yl (((1R,3s,5S)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl)sulfanyl)acetate; (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]sulfanyl}acetate; [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulanyl]acetate; Acetic acid, (((3-exo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl)thio)-, (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:166679	DB01256	.	.	517.799	C30H47NO4S	92.1	895	6.1	36	1	6	6	"1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22 ,24-,26+,27+,28-,29+,30+/m1/s1"	C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4C[C@H]5CC[C@@H](C4)N5C)C	STZYTFJPGGDRJD-FJJJPKKESA-N
DG00675	Sodium stibogluconate	16685687	"Sodium Stibogluconate,(S)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	. 	DB05630	.	.	925.9	C12H37Na3O27Sb2	325	739	.	44	16	27	4	"1S/2C6H10O7.3Na.10H2O.3O.2Sb/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;;;;;;;;;;;;;/h2*2-5,7-8,10H,1H2,(H,12,13);;;;10*1H2;;;;;/q2*-2;3*+1;;;;;;;;;;;;;-1;+2;+3/p-3/t2*2-,3-,4-,5-;;;;;;;;;;;;;;;;;;/m11................../s1"	C([C@H]([C@@H]1[C@H]([C@@H](O[Sb](=O)(O[C@@H]([C@H]([C@@H](O[Sb](=O)(O1)O)C(=O)[O-])O)[C@@H](CO)O)[O-])C(=O)[O-])O)O)O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+]	VJCZMGLJTJZFEN-ZYPIZMQFSA-K
DG00676	Sulfamethoxazole and Doxycycline	.	.	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	. 	DB00015	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00679	Furantoin	132988179	"Furantoin-13C,15N3"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7773	DB00904	.	.	242.13	C8H6N4O5	121	390	-0.5	17	1	6	2	"1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3-/i8+1,9+1,10+1,11+1"	C1C(=O)[15NH][13C](=O)[15N]1/[15N]=C\\C2=CC=C(O2)[N+](=O)[O-]	NXFQHRVNIOXGAQ-XFHUPTTISA-N
DG00680	Polymorphism	.	.	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00736	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00681	Pyrazinamide	1046	"Pyrazinamide; pyrazinecarboxamide; 98-96-4; pyrazine-2-carboxamide; pyrazinoic acid amide; Zinamide; 2-Pyrazinecarboxamide; Aldinamide; Aldinamid; Pirazinamid; Tebrazid; Farmizina; Pirazimida; Pyrazineamide; Unipyranamide; Eprazin; Novamid; Pyrafat; pyrazine carboxylamide; 2-Carbamylpyrazine; Pyrazinecarboxylic acid amide; Pyrazinamidum; Isopas; Pirazinamide; Pyrazine carboxamide; D-50; MK 56; C5H5N3O; PZA; NCI-C01785; UNII-2KNI5N06TI; MFCD00006132; NSC 14911; T 165; Pirazinamida; Tisamid; 2KNI5N06TI; MLS000069730; Pezetamid; Piraldina; Pyrazide; CHEBI:45285; Rozide; NSC14911; Pyrazinamide (Pyrazinoic acid amide); NSC-14911; NCGC00015833-09; Pyrazinamdie; SMR000036662; Pirazinamide [DCIT]; DSSTox_CID_1215; DSSTox_RID_76014; DSSTox_GSID_21215; Pyrazinamidum [INN-Latin]; Pirazinamida [INN-Spanish]; pyramizade; Rifafour; D-50 (VAN); DRG 0124; CAS-98-96-4; CCRIS 545; Pyrazinamide (TN); Rifafour e-200; HSDB 3576; SR-01000076077; EINECS 202-717-6; BRN 0112306; pyrazinamida; Pyrizinamide; pyrazine amide; AZT + Pyrazinamide combination; Pyrazine-2-carboxylic acid amide; Pyrazinamide,(S); Pyrazinamide [USP:INN:BAN:JAN]; Prestwick_811; .alpha.-pyrazinamide; 2-pyrazine carboxamide; Spectrum_000902; Opera_ID_735; Prestwick0_000514; Prestwick1_000514; Prestwick2_000514; Prestwick3_000514; Spectrum2_001305; Spectrum3_001046; Spectrum4_001186; Spectrum5_001026; Lopac-P-7136; CHEMBL614; P 7136; WLN: T6N DNJ BVZ; pyrazine-2-carboximidic acid; Lopac0_001011; SCHEMBL24102; BSPBio_000467; BSPBio_002572; KBioGR_001851; KBioSS_001382; 5-25-04-00178 (Beilstein Handbook Reference); MLS002222347; BIDD:GT0228; DivK1c_000241; SPECTRUM1500518; SPBio_001369; SPBio_002388; BPBio1_000515; GTPL7287; ZINC2005; DTXSID9021215; HMS500M03; KBio1_000241; KBio2_001382; KBio2_003950; KBio2_006518; KBio3_001792; Pyrazinamide (JP17/USP/INN); NINDS_000241; BDBM228814; HMS1569H09; HMS1920N08; HMS2092E09; HMS2096H09; HMS2235G17; HMS3259O04; HMS3263K03; HMS3371G09; HMS3655A10; HMS3713H09; KUC109577N; Pharmakon1600-01500518; ACT01761; AMY14180; BCP30257; HY-B0271; KSC-27-052E; Pyrazine-[d3]-carboxamide-[15N]; Tox21_110237; Tox21_202059; Tox21_302771; Tox21_501011; CCG-39243; NSC757304; s1762; STK801661; AKOS000120280; Tox21_110237_1; DB00339; LP01011; MCULE-6846697749; NC00534; NSC-757304; Pyrazinecarboxamide, analytical standard; SDCCGSBI-0050984.P005; IDI1_000241; NCGC00015833-01; NCGC00015833-02; NCGC00015833-03; NCGC00015833-04; NCGC00015833-05; NCGC00015833-06; NCGC00015833-07; NCGC00015833-08; NCGC00015833-10; NCGC00015833-11; NCGC00015833-12; NCGC00015833-15; NCGC00015833-16; NCGC00015833-25; NCGC00090695-01; NCGC00090695-03; NCGC00090695-04; NCGC00090695-05; NCGC00090695-06; NCGC00090695-07; NCGC00256336-01; NCGC00259608-01; NCGC00261696-01; Pyrazinoic acid amide; pyrazinamide; PZA; CAS- 98-96-4; SY013550; TS-01626; SBI-0050984.P004; DB-002866; AB00052083; B2122; BB 0253141; EU-0101011; FT-0659757; P0633; SW196945-3; C01956; D00144; D70481; J10111; 1,2-dihydro-1,2,4-triazol-3-one;Pyrazinamide; AB00052083-16; AB00052083_17; AB00052083_18; A845937; AC-907/25014068; Q417571; SR-01000076077-1; SR-01000076077-4; SR-01000076077-6; W-100059; Z33546644; Pyrazinamide, British Pharmacopoeia (BP) Reference Standard; Pyrazinamide, European Pharmacopoeia (EP) Reference Standard; 2-Carbamylpyrazine ;Aldinamid ;Aldinamide; Pyrazinoic acid amide; Pyrazinamide, United States Pharmacopeia (USP) Reference Standard; Pyrazinamide, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45285	DB00339	.	DR1372	123.11	C5H5N3O	68.9	115	-0.6	9	1	3	1	"1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)"	C1=CN=C(C=N1)C(=O)N	IPEHBUMCGVEMRF-UHFFFAOYSA-N
DG00687	Fosmidomycin	572	"Fosmidomycin; 66508-53-0; Fosmidomycina; Fosmidomycine; Fosmidomycinum; 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID; {3-[formyl(hydroxy)amino]propyl}phosphonic acid; UNII-5829E3D9I9; 3-(N-hydroxyformamido)propylphosphonic acid; CHEMBL203125; Fosmidomycin sodium salt hydrate; CHEBI:443725; FR-31564; 5829E3D9I9; (3-(N-Hydroxyformamido)propyl)phosphonic acid; C4H10NO5P; FOM; FR 31564; 66508-37-0; Fosmidomycine [INN-French]; Fosmidomycinum [INN-Latin]; Fosmidomycina [INN-Spanish]; Fosmidomycin [INN]; [3-(N-hydroxyformamido)propyl]phosphonic acid; Antibiotic FR-31705; 3-(Formyl-hydroxy-amino)propylphosphonic acid; 3-(N-Formyl-N-hydroxyamino)-propylphosphonic acid; SCHEMBL301404; GTPL9739; DTXSID70216712; (3-(Formylhydroxyamino)propyl)phosphonic acid, monosodium salt; BDBM50153713; ZINC12502867; AKOS006272014; DB02948; NCGC00264107-01; NCGC00264107-02; R980; 3-(formyl-hydroxyamino)propylphosphonic acid; 3-(N-formyl-N-hydroxyamino)propylphosphonic acid; [3-(Formyl-hydroxy-amino)-propyl]-phosphonic acid; Q905038; (3-(Formylhydroxyamino)propyl)phosphonic acid sodium salt; (3-(N-Hydroxyformamido)propyl)phosphonic acid sodium salt"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:443725	DB02948	.	.	183.1	C4H10NO5P	98.1	166	-2.2	11	3	5	4	"1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)"	C(CN(C=O)O)CP(=O)(O)O	GJXWDTUCERCKIX-UHFFFAOYSA-N
DG00693	Menthol	1254	"MENTHOL; dl-Menthol; 1490-04-6; 2-Isopropyl-5-methylcyclohexanol; Cyclohexanol, 5-methyl-2-(1-methylethyl)-; 15356-70-4; 89-78-1; p-Menthan-3-ol; Racementhol; (+/-)-Menthol; 5-methyl-2-propan-2-ylcyclohexan-1-ol; Hexahydrothymol; Menthol [USP]; rac-Menthol; CHEBI:25187; Menthyl alcohol; (1R,2S,5R)-Menthol; Menthol, dl-; Menthol (USP); MFCD00001484; (1S, 2S, 5R)-(+)-Neomenthol; 5-methyl-2-(propan-2-yl)cyclohexanol; 5-methyl-2-(propan-2-yl)cyclohexan-1-ol; DSSTox_CID_805; DSSTox_RID_78794; DSSTox_GSID_29650; Racemic menthol; FEMA No. 2665; Caswell No. 540; 3-p-Menthanol; Mentholum; Mineral ice; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1.alpha.,2.alpha.,5.beta.)]-; Therapeutic mineral ice; 3-p-Menthol; CAS-1490-04-6; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-; CCRIS 9231; 3-Hydroxy-p-menthane; Fisherman's friend lozenges; Robitussin Cough Drops; (1R,2R,5R)-Isomenthol; EINECS 216-074-4; EPA Pesticide Chemical Code 051601; (+/-)-p-Menthan-3-ol; Menthol, cis-1,3,trans-1,4-; (1S,2R,5R)-(+)-Isomenthol; 5-Methyl-2-(1-methylethyl)-cyclohexanol; NSC-2603; AI3-08161; HSDB 593; Menthol racemate; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)-; 2-Isopropyl-5-methyl-cyclohexanol; (-)menthol; NCGC00159382-02; (-) menthol; 2-Isopropyl-5-methylcyclohexan-1-ol; 4-Isopropyl-1-methylcyclohexan-3-ol; Menthol, 99%; dl-Menthol (JP17); 1-methyl-4-isopropyl-3-hydroxycyclohexane; EC 216-074-4; SCHEMBL4612; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2S,5R)-; Menthol, (.+/-.)-; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5S)-rel-; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5S)-rel-; Menthol, puriss., 99.0%; CHEMBL256087; DL-Menthol, analytical standard; DTXSID8029650; AMY3077; Fisherman's friend lozenges (TN); BDBM248162; HMS3744K19; 2-Isopropyl-5-methylcyclohexanol #; 3623-52-7; BCP27552; BCP31841; CS-M3737; HY-N1369; menthol crystals; 15356-70-4; Tox21_200010; Tox21_303464; BBL009325; DL-Menthol, >=95%, FCC, FG; STK802468; ( inverted exclamation markA)-Menthol; AKOS000119740; AKOS016843634; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.alpha.,5.beta.)-; AM81446; MCULE-3070949324; SB35230; SB44308; SB44857; (2R)-2-isopropyl-5-methyl-cyclohexanol; Menthol 1000 microg/mL in Acetonitrile; Menthol, SAJ special grade, >=98.0%; NCGC00159382-03; NCGC00159382-04; NCGC00159382-05; NCGC00159382-06; NCGC00257403-01; NCGC00257564-01; HY-75161; K601; SY004225; SY010603; VS-02042; DB-063989; Levomenthol; D-(-)-Menthol; (-)-Menthol; CS-0016777; FT-0600039; FT-0604399; FT-0604426; FT-0604430; FT-0620596; FT-0625488; FT-0695077; FT-0695078; FT-0695079; M0321; (+/-)-Menthol, racemic, >=98.0% (GC); 2-Isopropy-5-methylcyclohexanol-1,2,6,6-d4; D04849; D04918; E80543; (1S,2R,5R)-2-isopropyl-5-methyl-cyclohexanol; A808833; A809442; J-500418; Q27109870; Z1258992394; Menthol-plus it inverted exclamation markas 3 isomers-1,2,6,6-d4; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)-(.+/-.)-; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1R-(1.alpha.,2.alpha.,5.beta.)]-; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1.alpha.,2.beta.,5.beta.)]-; L-Menthol; (-)-Menthol; Levomenthol; Menthomenthol;2-isopropyl-5-methyl-cyclohexanol;Menthol; Menthol solution, NMR reference standard, 30 wt. % in chloroform-d (99.8 atom % D), NMR tube size 5 mm x 8 in.; Menthol solution, NMR reference standard, 50% in chloroform-d (99.8 atom % D), chromium(III) acetylacetonate 0.5 %, NMR tube size 5 mm x 8 in."	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:25187	.	.	.	156.26	C10H20O	20.2	120	3	11	1	1	1	"1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3"	CC1CCC(C(C1)O)C(C)C	NOOLISFMXDJSKH-UHFFFAOYSA-N
DG00699	Alprazolam	2118	"Alprazolam; Xanax; 28981-97-7; Trankimazin; Tafil; Tranquinal; Alplax; Constan; Frontal; Niravam; Solanax; Xanor; Apo-Alpraz; 8-Chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine; Xanax XR; Alcelam; Anpress; Relaxol; Tricalma; Valeans; Xanagis; Zolarem; Alpaz; Alpram; Alzam; Panix; Prinox; Zoldac; Zotran; Alprazolam intensol; TUS-1; Xanolam; Zolam; Zopax; Zopic; Tafil D; Xanax TS; D 65MT; 8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine; UNII-YU55MQ3IZY; Cassadan; Esparon; Neurol; U 31889; U-31,889; Alpronax; Alzolam; Bestrol; Ralozam; Alprox; Restyl; YU55MQ3IZY; CHEMBL661; U-31889; Novo-Alprazol; 8-Chloro-1-methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine; Nu-Alpraz; 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-phenyl-; CHEBI:2611; Alprazolamum; Pharnax; Prazolan; Tensivan; Zacetin; Zanapam; Alprax; Ksalol; Mialin; Prazam; Unilan; Zoldax; Algad; Alzon; Helex; Zaxan; Zenax; Gen-Alprazolan; 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-; 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-; NSC-760140; NCGC00159466-02; Alprazolamum [INN-Latin]; Tus 1; Panistat; Alprazolam extended release tablets; Staccato-alprazolam; SMR000149316; Xanax (TN); HSDB 7207; EINECS 249-349-2; AZ-002; TGAR01P; BRN 1223125; Alprazolam civ; DEA No. 2882; 08H; Alprazolam [USAN:USP:INN:BAN:JAN]; AP-1002; 3u5j; DSSTox_CID_2577; SCHEMBL8398; DSSTox_RID_76639; BIDD:PXR0150; DSSTox_GSID_22577; ZINC903; MLS000559000; MLS000759485; MLS001423979; BIDD:GT0475; Alprazolam (JP17/USP/INN); GTPL7111; DTXSID4022577; HMS2051A10; HMS3393A10; Pharmakon1600-01502395; Alprazolam 0.1 mg/ml in Methanol; Alprazolam 1.0 mg/ml in Methanol; BCP28608; Tox21_111692; BBL028160; BDBM50001728; NSC760140; STK590494; AKOS005066050; CCG-100855; DB00404; MCULE-1215564244; NC00105; NSC 760140; 4H-(1,2,4)Triazolo(4,3-alpha)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-; NCGC00159466-03; 51339-48-1; AC-18721; CAS-28981-97-7; C06817; D00225; 981A977; A819702; Q319877; U 31,889; W-107015; BRD-K32398298-001-01-4; Alprazolam, European Pharmacopoeia (EP) Reference Standard; 8-chloro-1-methyl-6-phenyl-4H-s-triazolo [4,3-a] [1,4] benzodiazepine; 8-chloro-1-methyl-6-phenyl-4H-s-triazolo [4,3-a][1,4] benzodiazepine; 8-chloro-6-phenyl-1-methyl-4H-s-triazolo-[4,3-a][1,4]benzodiazepine; (Z)-8-chloro-1-methyl-6-phenyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine; 8-chloranyl-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine; Alprazolam solution, 1 mg/mL in methanol, analytical standard, for drug analysis; Alprazolam solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; 12-chloro-3-methyl-9-phenyl-2,4,5,8-tetraazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,8,11,13-hexaene; 1246182-61-5"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2611	DB00404	DR01197	DR0075	308.8	C17H13ClN4	43.1	434	2.1	22	0	3	1	"1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3"	CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4	VREFGVBLTWBCJP-UHFFFAOYSA-N
DG00702	Amsacrine	2179	"Amsacrine; 51264-14-3; m-AMSA; Amsidine; Amsidyl; Acridinylanisidide; Amekrin; Amsacrina; Lamasine; mAMSA; AMSA; Acridinyl Anisidide; Amsacrinum; Amsine; 4'-(9-Acridinylamino)-3'-methoxymethanesulfonanilide; 4'-(9-Acridinylamino)methanesulfon-m-anisidide; SN-11841; 4'-(9-Acridinylamino)methanesulphon-m-anisidide; N-(4-(Acridin-9-ylamino)-3-methoxyphenyl)methanesulfonamide; N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide; CI-880; NSC249992; NSC 156303; NSC 249992; NSC-249992; 4'-(9-Acridinylamino)methanesulfon-meta-anisidide; SN 21429; UNII-00DPD30SOY; Methanesulfonamide, N-[4-(9-acridinylamino)-3-methoxyphenyl]-; NSC-156303; CHEMBL43; N-[4-(9-Acridinylamino)-3-methoxyphenyl]methanesulfonamide; m-AMSA;acridinyl anisidide; 00DPD30SOY; CHEBI:2687; Methanesulfonanilide, 4'-(9-acridinylamino)-3'-methoxy-; N-(4-(9-Acridinylamino)-3-methoxyphenyl)methanesulfonamide; Methanesulfonamide, N-(4-(9-acridinylamino)-3-methoxyphenyl)-; meta-Amsacrine; NSC-141549; Methanesulfon-m-anisidide, 4'-(9-acridinylamino)-; N-[4-(acridin-9-ylamino)-3-(methyloxy)phenyl]methanesulfonamide; Amsacrinum [INN-Latin]; Amsacrina [INN-Spanish]; m-AMSA hydrochloride; acridinyl anisidide hydrochloride; amsidil; Amecrin; MLS002153376; nAMSA; Amsidyl (TN); CCRIS 1027; HSDB 7087; Amsacrine (USAN/INN); SMR000875352; EINECS 257-094-3; CI 880; AMSA, M-; BRN 0500176; Amsacrine [USAN:INN:BAN]; Lopac-A-9809; NCIMech_000607; Neuro_000118; SCHEMBL4047; Lopac0_000154; 5-22-11-00030 (Beilstein Handbook Reference); MLS006010099; cid_148673; DTXSID4022604; BDBM87351; HMS3748E05; N-[4-(9-Acridinylamino)-3-methoxy-phenyl]methanesulfonamide; N-[4-(acridin-9-ylamino)-3-methoxy-phenyl]methanesulfonamide; BCA26414; BCP08958; ZINC3812923; CCG-35555; MFCD00242748; AKOS015917522; CS-1942; DB00276; NCI-249992; SDCCGSBI-0050142.P003; NCGC00015113-01; NCGC00015113-02; NCGC00015113-03; NCGC00015113-04; NCGC00093644-10; NCGC00162077-01; AS-11665; HY-13551; NCI60_001995; SMR000857391; SN-21429; WLN: T C666 BNJ IMR BO1 DMSW1; DB-082052; FT-0708980; C01553; C75400; D02321; 4'-(9-Acridinylamino)methanesulfonyl m-anisidide; 301A154; 4'-(9-Acridinylamino)-methylsulfonyl-m-anisidine; A918341; Q2784004; AMSA;m-AMSA;CI-880;SN-11841;acridinyl anisidide; N-[4-(9-acridinylamino)-3-methoxyphenyl]methanesulfonamide;hydrochloride; N-[4-(acridin-9-ylamino)-3-methoxy-phenyl]methanesulfonamide;hydrochloride; N-{4-[(ACRIDIN-9-YL)AMINO]-3-METHOXYPHENYL}METHANESULFONAMIDE; ASW"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2687	DB00276	DR00917	DR0109	393.5	C21H19N3O3S	88.7	601	4	28	2	6	5	"1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)"	COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42	XCPGHVQEEXUHNC-UHFFFAOYSA-N
DG00707	Brimonidine	2435	"Brimonidine; 59803-98-4; Bromoxidine; UK 14,304; 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine; 5-Bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-quinoxalinamine; 5-Bromo-6-(2-imidazolin-2-ylamino)quinoxaline; 5-bromo-6-(imidazolin-2-ylamino)quinoxaline; AGN 190342; 6-Quinoxalinamine, 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-; UK-14304; UNII-E6GNX3HHTE; UK 14304; AGN-190342; MLS000069370; E6GNX3HHTE; MFCD00153878; CHEMBL844; SMR000058355; CHEBI:3175; NSC-318825; NCGC00016069-09; UK 14304;AGN190342; DSSTox_CID_25221; DSSTox_RID_80758; DSSTox_GSID_45221; UK 14304 (tartrate);AGN190342 (tartrate); 5-Bromo-N-(2-imidazolin-2-yl)-6-quinoxalinamine; Brimonidine [INN:BAN]; [3H]brimonidine; C11H10BrN5; CAS-59803-98-4; N-(5-bromoquinoxalin-6-yl)imidazolidin-2-imine; SR-01000000023; brimonidina; brimonidinum; BRN 0751629; LK 14304-18; Brimonidine (INN); AGN190342; UK14304; Tocris-0425; [3H]-UK14304; Opera_ID_612; Lopac-U-104; cid_2435; Lopac0_001216; SCHEMBL24670; GTPL520; MLS001076349; BIDD:GT0649; GTPL5386; DTXSID3045221; BDBM34572; 5-Bromo-N-(4,5-dihydro-2-imidazolyl)quinoxalin-6-amine; AGN-190342 FREE BASE; HMS3259P09; HMS3263D14; HMS3266O03; HMS3411K05; HMS3675K05; HMS3887K07; AMY22318; BCP12632; EX-A5415; HY-B0659; Tox21_110299; Tox21_501216; UK-1430418 FREE BASE; AC-162; NSC318825; PDSP1_000640; PDSP2_000635; s9508; ZINC21303210; AKOS005267239; Tox21_110299_1; CCG-205290; DB00484; GS-3236; LP01216; MCULE-4542695850; NC00638; NSC 318825; SDCCGSBI-0051183.P002; MRF-0000657; NCGC00016069-01; NCGC00016069-02; NCGC00016069-03; NCGC00016069-04; NCGC00016069-05; NCGC00016069-06; NCGC00016069-07; NCGC00016069-08; NCGC00016069-10; NCGC00016069-11; NCGC00016069-12; NCGC00016069-13; NCGC00016069-24; NCGC00023468-02; NCGC00023468-04; NCGC00023468-05; NCGC00023468-06; NCGC00023468-07; NCGC00261901-01; SY053060; UK14,304; Brimonidine 100 microg/mL in Acetonitrile; B4132; EU-0101216; FT-0630717; FT-0650586; EN300-50880; UK 14304-18; C07886; C75796; D07540; 5-bromo-6-(2-imidazolidinylidenamino)quinoxaline; 5-bromo-6-(2-imidazolin-2-ylamino) quinoxaline; 5-Bromo-6-(2-imidazolin-2-ylamino)-quinoxaline; 6-Quinoxalinamine,5-dihydro-1H-imidazol-2-yl)-; 803B984; A832477; L000615; Q577377; SR-01000000023-2; SR-01000000023-4; BRD-K68264559-001-10-0; Z802671510; (5-Bromo-quinoxalin-6-yl)-(4,5-dihydro-1H-imidazol-2-yl)-amine; 5-bromanyl-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine; 6-Quinoxalinamine, 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)- (9CI)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3175	DB00484	.	.	292.13	C11H10BrN5	62.2	308	0.6	17	2	3	2	"1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)"	C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br	XYLJNLCSTIOKRM-UHFFFAOYSA-N
DG00722	Eflornithine	3009	"EFLORNITHINE; 70052-12-9; Ornidyl; 2-(Difluoromethyl)ornithine; dfmo; 2,5-diamino-2-(difluoromethyl)pentanoic acid; Difluoromethylornithine; Vaniqa; alpha-Difluoromethylornithine; 2-(Difluoromethyl)-DL-ornithine; Eflornithine free base; alpha-(Difluoromethyl)-DL-ornithine; Difluromethylornithine; RMI 71782; 67037-37-0; DL-.alpha.-Difluoromethylornithine; CHEMBL830; DFMO HCl; CHEBI:41948; 70052-12-9 (free base); NSC337250; Eflornithinum; Eflornitina; Eflornithinum [Latin]; Eflornitina [Spanish]; 2,5-diamino-2-(difluoromethyl)pentanoic acid.; .alpha.-DFMO HCl; DFMO (growth regulator); Eflornithine [INN:BAN]; 70050-56-5; L-DFMO;L-RMI71782;L-alpha-difluoromethylornithine; DL-alpha-(Difluoromethyl)ornithine; DL-Ornithine, monohydrochloride; MDL 71782; Eflornithine (INN); CCRIS 3295; Ornithine, 2-(difluoromethyl)-; NSC-337250; DL-Ornithine, 2-(difluoromethyl)-; (-)-2-Difluoromethylornithine; BRN 2250529; alpha,delta-Diamino-alpha-(difluoromethyl)valeric acid; SR-01000076229; C6H12F2N2O2; HSDB 7923; alpha-DFMO; (RS)-eflornithine; RFI 7178; Lopac0_000429; SCHEMBL26327; GTPL5176; 2-(difluoromethyl)-L-ornithine; alpha-difluoromethyl-dl-ornithine; DTXSID3020467; H-DL-(a-Difluoromethyl)Orn-OH; BCP10516; HY-B0744; 2-(difluoromethyl)ornithine (DMFO); BDBM50028197; HSCI1_000267; MFCD00221766; AKOS006281180; CCG-204521; DB06243; SDCCGSBI-0050414.P002; NCGC00015316-02; NCGC00015316-03; NCGC00015316-06; NCGC00015316-15; NCGC00162152-01; K100; 2-difluoromethyl-2,5-diaminopentanoic acid; DB-055371; FT-0630795; FT-0720946; FT-0775156; 2-(difluoromethyl)-2,5-diaminopentanoic acid;; C07997; D07883; 020E916; A936641; Q424751; (RS)-2,5-diamino-2-(difluoromethyl)pentanoic acid; DFMO;MDL71782;RMI71782;; A-difluoromethylornithine; SR-01000076229-10"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB06243	DR00843	.	182.17	C6H12F2N2O2	89.3	166	-2.9	12	3	6	5	"1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)"	C(CC(C(F)F)(C(=O)O)N)CN	VLCYCQAOQCDTCN-UHFFFAOYSA-N
DG00725	Diethylcarbamazine	3052	"Diethylcarbamazine; 90-89-1; N,N-diethyl-4-methylpiperazine-1-carboxamide; Carbamazine; Diethyl carbamazine; Carbilazine; Ethodryl; Notezine; Bitirazine; Caricide; Cypip; Ditrazine Base; Caracide; Spatonin; N,N-Diethyl-4-methyl-1-piperazinecarboxamide; 1-Piperazinecarboxamide, N,N-diethyl-4-methyl-; N,N-Diethylcarbamazine; UNII-V867Q8X3ZD; RP 3799; 84L; CHEBI:4527; V867Q8X3ZD; Bitirazine; Caracide;Carbamazine; MMV002816; Diaethylcarbamazinum; Dietilcarbamazina; Diethylcarbamazinum; Diethylcarbamazine [INN:BAN]; Camin; Diethylcarbamazinum [INN-Latin]; Dietilcarbamazina [INN-Spanish]; NSC1364; Camin (TN); Diethylcarbamazine (INN); EINECS 202-023-3; 1-Diethylcarbamoyl-4-Methylpiperazine; BRN 0143029; AI3-19612; 1-Diethylcarbamyl-4-methylpiperazine; 1-Methyl-4-diethylcarbamoylpiperazine; Banocide (Salt/Mix); Caritrol (Salt/Mix); Nemacide (Salt/Mix); Spectrum_000938; NN-Diethyl-4-methyl-1-piperazinecarboxamide; Prestwick0_000284; Prestwick1_000284; Prestwick2_000284; Prestwick3_000284; Spectrum2_001022; Spectrum3_000390; Spectrum4_000511; Spectrum5_000877; diethyl carbamazine citrate; CHEMBL684; EC 202-023-3; SCHEMBL67289; BSPBio_000188; BSPBio_002179; KBioGR_001081; KBioSS_001418; 4-23-00-00225 (Beilstein Handbook Reference); DivK1c_000548; SPBio_001203; SPBio_002407; BPBio1_000208; ZINC1288; DTXSID1022928; KBio1_000548; KBio2_001418; KBio2_003986; KBio2_006554; KBio3_001399; NINDS_000548; HMS3604F12; 1-Diethylcarbamoyl-4-methylpiperzine; HY-12642A; MFCD00023288; AKOS003268016; DB00711; DS-9360; MCULE-7296820622; IDI1_000548; s10791; NCGC00178778-01; NCGC00178778-02; NCGC00178778-07; SBI-0051345.P003; DB-080764; R.P. 3799; 1-(N,N-Diethylcarbamoyl)-4-methylpiperazine; AB00053457; CS-0013568; FT-0624832; C07968; D07825; N,N-diethyl-4-methyl-piperazine-1-carboxamide; AB00053457_12; Q409267; SR-01000759234-8; BRD-K45542189-048-05-6; BRD-K45542189-048-15-5"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4527	DB00711	.	.	199.29	C10H21N3O	26.8	184	0.3	14	0	2	2	"1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3"	CCN(CC)C(=O)N1CCN(CC1)C	RCKMWOKWVGPNJF-UHFFFAOYSA-N
DG00727	Diphenhydramine	3100	"Diphenhydramine; 58-73-1; Benadryl; Benzhydramine; 2-(Benzhydryloxy)-N,N-dimethylethanamine; Alledryl; Probedryl; Dihidral; Antistominum; Benzhydraminum; Benzhydroamina; Diphantine; Diphenylhydramine; Difenhydramin; Allergical; Bagodryl; Baramine; Benachlor; Benadrin; Benodine; Benzantine; Benzhydril; Betramin; Debendrin; Dermistina; Dermodrin; Desentol; Diabenyl; Diabylen; Dibondrin; Difedryl; Drylistan; Histaxin; Hyadrine; Ibiodral; Medidryl; Mephadryl; Novamina; Syntedril; Amidryl; Antomin; Benapon; Benodin; Benylan; Benylin; Dabylen; Dylamon; Nausen; Antitussive; Difenidramina; Dimedrol base; Difenhidramina; Allergina; Benzhydryl; Hydramine; Beldin; Dibenil; Diphen; Silphen; Belix; Diphenhydraminum; 2-(Benzhydryloxy)-N,N-dimethylethylamine; O-Benzhydryldimethylaminoethanol; Ethanamine, 2-(diphenylmethoxy)-N,N-dimethyl-; Dimehydrinate; FAR 90X2; 2-(diphenylmethoxy)-N,N-dimethylethanamine; alpha-(2-Dimethylaminoethoxy)diphenylmethane; PM 255; beta-Dimethylaminoethanol diphenylmethyl ether; N-(2-(Diphenylmethoxy)ethyl)-N,N-dimethylamine; 2-(Diphenylmethoxy)-N,N-dimethylethylamine; UNII-8GTS82S83M; N-(Benzhydryloksy-etylo)dwumetyloamina; 2-benzhydryloxy-N,N-dimethylethanamine; [2-(diphenylmethoxy)ethyl]dimethylamine; Automin; Ethylamine, N,N-dimethyl-2-(diphenylmethoxy)-; CHEMBL657; 2-diphenylmethoxy-N,N-demthylethanamine; beta-dimethylaminoethyl benzhydryl ether; N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE; 58-73-1 (free base); 8GTS82S83M; CHEBI:4636; Ethylamine, 2-(diphenylmethoxy)-N,N-dimethyl-; Dimedrolum; Allergan; Benzantin; NCGC00015335-07; Allergeval; Dibendrin; Dimedryl; Dryistan; Rigidil; Syntodril; Aleryl; Ben-allergin; Allergan B; DSSTox_CID_2949; Difenidramina [Italian]; DSSTox_RID_76803; DSSTox_GSID_22949; Difenhidramina [INN-Spanish]; Diphenhydraminum [INN-Latin]; Diphenhydramine [INN:BAN:JAN]; CAS-58-73-1; beta-Dimethylaminoethylbenzhydrylether; Restamin (TN); 2-Diphenylmethoxy-N,N-dimethylethylamine; CCRIS 1959; HSDB 3066; N-[2-(Diphenylmethoxy)ethyl]-N,N-dimethylamine; Benadryl (hydrochloride); NCGC00015335-09; CAS-147-24-0; EINECS 200-396-7; N-(Benzhydryloksy-etylo)dwumetyloamina [Polish]; beta-Dimethylamino-aethyl-benzhydryl-aether [German]; BRN 1914136; Difenhydramine; Diphenhdyra; Dobacen; beta-Dimethylamino-aethyl-benzhydryl-aether; Allergan (Salt/Mix); Eldadryl (Salt/Mix); Histacyl (Salt/Mix); Restamin (Salt/Mix); Spectrum_000980; 2-benzhydryloxyethyl-N,N-dimethylammonium; Antitussive (Salt/Mix); Prestwick0_000065; Prestwick1_000065; Prestwick2_000065; Prestwick3_000065; Spectrum2_000961; Spectrum3_000400; Spectrum4_000520; Spectrum5_000915; Lopac-D-3630; 2-[(diphenylmethyl)oxy]-N,N-dimethylethanamine; EC 200-396-7; Cambridge id 6699980; SCHEMBL4064; Lopac0_000377; Oprea1_254625; BSPBio_000249; BSPBio_002219; Dimethylamine benzhydryl ester; KBioGR_001099; KBioSS_001460; 2PM; MLS002222276; BIDD:GT0152; Diphenhydramine (JP17/INN); DivK1c_000368; SPBio_000961; SPBio_002170; BPBio1_000275; GTPL1224; 2-(Benzhydryloxy)-N,N-dimethylethylamine, hydrochloride; DTXSID4022949; KBio1_000368; KBio2_001460; KBio2_004028; KBio2_006596; KBio3_001439; ZINC20244; N,N-Dimethyl-2-(diphenylmethoxy)-ethylamine hydrochloride; NINDS_000368; O-Benzhydryl(dimethylamino)ethanol; HMS2089E06; HMS2230L19; HMS3373E03; HY-B0303; Tox21_110127; BDBM50017674; MFCD00274173; MFCD31699960; NSC665800; STK103720; AKOS003658554; Tox21_110127_1; (2-Benzhydryloxy-ethyl)-dimethyl-amine; CCG-204472; DB01075; GS-3196; MCULE-6260910826; NSC-665800; SDCCGSBI-0050365.P005; IDI1_000368; NCGC00015335-01; NCGC00015335-02; NCGC00015335-03; NCGC00015335-04; NCGC00015335-05; NCGC00015335-06; NCGC00015335-08; NCGC00015335-10; NCGC00015335-11; NCGC00015335-12; NCGC00015335-13; NCGC00015335-14; NCGC00015335-17; NCGC00015335-28; NCGC00024414-03; NCGC00024414-04; NCGC00024414-06; AC-13704; NCI60_002916; NCI60_022782; S 51; SMR001307259; SY246339; 2-(Benzohydryloxy)-N,N-dimethylethylamine; N,N-Dimethyl-2-diphenylmethyloxyethylamine; SBI-0050365.P004; 2-(Benzhydryloxy)-N,N-dimethylethanamine #; .beta.-(Dimethylamino)ethyl benzhydryl ether; .beta.-Dimethylamino-aethyl-benzhydryl-aether; AB00053460; CS-0013574; D4744; Ethylamine, 2-diphenylmethoxy-N,N-dimethyl-; FT-0625221; 2-[di(phenyl)methoxy]-N,N-dimethylethanamine; .alpha.-(2-Dimethylaminoethoxy)diphenylmethane; C06960; D00300; F19220; AB00053460-22; AB00053460-23; AB00053460_24; AB00053460_25; .beta.-(Dimethylamino)ethanol diphenylmethyl ether; 274D173; A831996; DIPHENHYDRAMINE; ANTISTOMINUM; BENZHYDRAMINE; Diphenylmethanol, (N,N-dimenthylaminoethyl) ether; L000227; Q413486; Q-201002; BRD-K47278471-003-05-7; BRD-K47278471-003-15-6; 110491-04-8"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4636	DB01075	DR00385	DR0514	255.35	C17H21NO	12.5	211	3.3	19	0	2	6	"1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3"	CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2	ZZVUWRFHKOJYTH-UHFFFAOYSA-N
DG00731	Droperidol	3168	"Droperidol; 548-73-2; Droleptan; Inapsine; Dehydrobenzperidol; Dridol; Properidol; Sintodril; Sintosian; Inapsin; Vetkalm; Halkan; Deidrobenzperidolo; Inopsin; Innovar; Inappin; Innovan; McN-JR-4749; Inoval; Dehidrobenzperidol; Droperidolum; Droperidolo; Leptofen; Thalamanol; Thalamonal; Innovar-vet; Dihidrobenzperidol; R-4749; McN-JR 4749; component of Innovar; R 4749; NSC 169874; 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one; UNII-O9U0F09D5X; 1-(1-(3-(p-Fluorobenzoyl)propyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone; 1-(1-(4-(p-Fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone; 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; CHEMBL1108; 1-[1-[3-(p-Fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone; MLS000028671; CHEBI:4717; O9U0F09D5X; 2H-Benzimidazol-2-one, 1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-; Dehydrobenzoperidol; MFCD00083290; NSC169874; NSC-169874; 1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-benzo[d]imidazol-2(3H)-one; 1-{1-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1,3-dihydro-benzoimidazol-2-one; 2H-Benzimidazol-2-one, 1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridinyl)-1,3-dihydro-; NCGC00016504-01; CAS-548-73-2; Droperidolo [DCIT]; SMR000058855; DSSTox_CID_2973; DSSTox_RID_76811; DSSTox_GSID_22973; 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl}-2,3-dihydro-1H-benzo[d]imidazol-2-one; Droperidolum [INN-Latin]; Neurolidol; Ina.psi.ne; Ina.psi.n; Ino.psi.n; 1-[1-[4-(p-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone; 2-Benzimidazolinone, 1-(1-(3-(p-fluorobenzoyl)propyl)-1,2,3,6-tetrahydro-4-pyridyl)-; 2-Benzimidazolinone, 1-[1-[3-(p-fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl]-; Droleptan (TN); 1-(1-(4-(4-Fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridinyl)-1,3-dihydro-2H-benzimidazol-2-one; 1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one; 3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2,3,4,5-tetrahydropyridin-4-yl]-1~{H}-benzimidazol-2-one; CCRIS 9070; HSDB 3320; R4749; SR-05000001546; INAPSINE (TN); EINECS 208-957-8; BRN 0579168; Droperidol USP; 1-(1-[3-(p-fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone; 1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-2h-benzimidazol-2-one; Prestwick_705; Innovar (Salt/Mix); Droperidol [USAN:USP:INN:BAN:JAN]; HS-0065; Leptanal (Salt/Mix); Leptofen (Salt/Mix); Spectrum_001220; Thalamonal (Salt/Mix); Innovar-vet (Salt/Mix); Opera_ID_1751; Prestwick0_000360; Prestwick1_000360; Prestwick2_000360; Prestwick3_000360; Spectrum2_001386; Spectrum3_001426; Spectrum4_000407; Spectrum5_001305; SCHEMBL41426; BSPBio_000459; BSPBio_003132; KBioGR_000674; KBioSS_001700; 5-24-02-00388 (Beilstein Handbook Reference); MLS000758203; MLS001148120; MLS001424134; MLS002153445; DivK1c_000103; SPECTRUM1501002; SPBio_001372; SPBio_002380; BPBio1_000505; Droperidol (JP17/USP/INN); GTPL7172; DTXSID6022973; HMS500F05; KBio1_000103; KBio2_001700; KBio2_004268; KBio2_006836; KBio3_002352; NINDS_000103; HMS1569G21; HMS1921B03; HMS2051L06; HMS2092O16; HMS2096G21; HMS2232M09; HMS3374B05; HMS3393L06; HMS3652M12; HMS3713G21; HMS3885N03; Pharmakon1600-01501002; HY-B1240; Tox21_110461; BDBM50017705; CCG-39004; NSC757819; s4096; STL453109; ZINC19796080; AKOS015960779; Tox21_110461_1; AC-3537; CCG-101004; CS-4886; DB00450; NC00254; NSC-757819; 1-1-[3-(p-Fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl-2-benzimidazolinone; 3-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one; IDI1_000103; NCGC00016504-02; NCGC00016504-03; NCGC00016504-04; NCGC00016504-05; NCGC00016504-06; NCGC00016504-09; NCGC00016504-17; NCGC00094884-01; NCGC00094884-02; H920; SBI-0051628.P002; Droperidol 1.0 mg/ml in Dimethyl Sulfoxide; FT-0655846; SW220019-1; D00308; F17346; AB00052191_04; AB00052191_05; WLN: T56 BMVNJ D3- DT6N CUTJ A3VR DF; 548D732; A830387; L001006; Q174259; SR-05000001546-1; SR-05000001546-2; SR-05000001546-3; W-105600; BRD-K97158071-001-05-8; BRD-K97158071-001-08-2; Droperidol, British Pharmacopoeia (BP) Reference Standard; Droperidol, European Pharmacopoeia (EP) Reference Standard; Droperidol, United States Pharmacopeia (USP) Reference Standard; 2H-Benzimidazol-2-one,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-; 1-[1-[3-(p-Fluorobenzoyl)propyl]-1,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone; 1-[1-[4-(p-Fluorophenyl)-4-oxobutyl]-1,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone; 1-1-[3-(p-Fluorobenzoyl)propyl]-1,3,6-tetrahydro-4-pyridyl-2-benzimidazolinone; gamma-[4-(2-oxo-1-benzimidazolinyl)-1,2,3,6-tetrahydro-1-pyridyl]-p-fluorobutyrophenone; 1-(4-fluorophenyl)-4-[4-(2-hydroxy-1H-1,3-benzodiazol-1-yl)-1,2,3,6-tetrahydropyridin-1-yl]butan-1-one; 1-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-3,6-dihydro-2H-pyridin-4-yl]-3H-benzoimidazol-2-one; 1-{1-[4-(4-Chloro-phenyl)-4-oxo-butyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1,3-dihydro-benzoimidazol-2-one(Droperidol); 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one; 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,5,6-tetrahydropyridin-4-yl] -1,3-dihydro-2H-benzimidazol}-2-one; 3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one; USS"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4717	DB00450	DR00771	.	379.4	C22H22FN3O2	52.6	615	3.5	28	1	4	6	"1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)"	C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F	RMEDXOLNCUSCGS-UHFFFAOYSA-N
DG00735	Ethoxzolamide	3295	"Ethoxzolamide; Ethoxyzolamide; 452-35-7; Ethoxazolamide; 6-Ethoxy-2-benzothiazolesulfonamide; Ethamide; Etoxzolamide; Cardrase; 6-Ethoxy-1,3-benzothiazole-2-sulfonamide; Glaucotensil; Diuretic C; Redupresin; 2-Benzothiazolesulfonamide, 6-ethoxy-; 6-Ethoxybenzo[d]thiazole-2-sulfonamide; 6-Ethoxybenzothiazole-2-sulfonamide; 6-Ethoxyzolamide; 6-Ethoxybenzothiazole-2-sulphonamide; U-4191; NSC 10679; UNII-Z52H4811WX; CHEMBL18; Redupresin;L-643786;PNU-4191; MLS000028637; 6-Ethoxy-benzothiazole-2-sulfonic acid amide; Mingoral; CHEBI:101096; Z52H4811WX; 6-Ethoxy-2-benzothiazole8ulfonamide; MFCD00057089; NSC-10679; NCGC00018249-04; SMR000059148; DSSTox_CID_3021; DSSTox_RID_76834; DSSTox_GSID_23021; C9H10N2O3S2; Cardrase (TN); CAS-452-35-7; EZL; Ethoxzolamide [USP]; HSDB 3268; EINECS 207-199-5; BRN 0212240; Athamid; AI3-50805; 3caj; 3dcw; 3mdz; Ethoxzolamide, EZM; 3dd0; Opera_ID_1207; 6-(ethyloxy)-1,3-benzothiazole-2-sulfonamide; SCHEMBL63941; 4-27-00-04404 (Beilstein Handbook Reference); MLS001077357; GTPL6814; DTXSID1023021; BDBM10882; ZINC56721; HMS2093J03; HMS2094M03; HMS2233N09; HMS3373K15; HMS3715F20; HMS3746M15; Pharmakon1600-01505426; BCP24088; HY-B1480; NSC10679; PNU-4191; Tox21_110848; 2179AH; 6-ethoxy-2-benzothiazole sulfonamide; NSC759129; WLN: T56 BN DSJ CSZW GO2; AKOS015915628; Tox21_110848_1; CCG-213432; CS-7836; DB00311; MCULE-3766215049; NSC-759129; VS-0126; Benzothiazole, 6-ethoxy-2-sulfonamide-; NCGC00018249-01; NCGC00018249-02; NCGC00018249-03; NCGC00018249-05; NCGC00022533-04; NCGC00186657-01; 6-Ethoxy-2-benzothiazolesulfonamide, 97%; SBI-0206851.P001; 6-Ethoxy-1,3-benzothiazole-2-sulfonamide #; FT-0707866; SW220095-1; D02441; AB00383049_12; AB00383049_13; Q265352; SR-01000000236; L-643786; SR-01000000236-2; BRD-K18131774-001-10-1; Ethoxzolamide, United States Pharmacopeia (USP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:101096	DB00311	.	DR2284	258.3	C9H10N2O3S2	119	341	2	16	1	6	3	"1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)"	CCOC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)N	OUZWUKMCLIBBOG-UHFFFAOYSA-N
DG00739	Fleroxacin	3357	"Fleroxacin; 79660-72-3; Megalone; Fleroxicin; Megalocin; Quinodis; Fleroxacino; Fleroxacinum; 6,8-Difluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; Fleroxacine; AM-833; Ro 23-6240; FLRX; Fleroxacin (Quinodis); Ro 23-6240/000; 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid; UNII-N804LDH51K; Ro-236240; CHEBI:31810; 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; N804LDH51K; NCGC00167558-01; Fleroxacine [French]; Fleroxacinum [Latin]; Ro-236240000; Fleroxacino [Spanish]; RO 23-6240;AM-833; AM 833; 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid; DSSTox_CID_26714; DSSTox_RID_81846; DSSTox_GSID_46714; 3-Quinolinecarboxylic acid, 1,4-dihydro-6,8-difluoro-1-(2-fluoroethyl)-7-(4-methyl-1-piperazinyl)-4-oxo-; Megalosin; Megalocin (TN); Megalone (TN); SMR000466302; CAS-79660-72-3; CCRIS 3972; SR-01000759379; BRN 4300996; Fleroxacin (JAN/USAN/INN); Fleroxacin,(S); Fleroxacin [USAN:INN:BAN:JAN]; MFCD00864880; F0646; Ro-23-6240/000; CHEMBL6273; SCHEMBL48145; 3-Quinolinecarboxylic acid, 6,8-difluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-; MLS000759401; MLS006010715; DTXSID1046714; HMS2090I08; HMS3715B11; BCP28939; HY-B0414; RKL10075; ZINC3786299; Tox21_112553; BDBM50247892; s2469; ZINC03786299; AKOS015907011; Tox21_112553_1; CCG-221125; DB04576; KS-5124; NCGC00167558-02; AM-833;AM833;AM 833; FT-0630874; D01716; Fleroxacin, VETRANAL(TM), analytical standard; J10168; AB00640001-02; AB00640001-03; AB00640001_04; 660F723; A839732; Q3746573; SR-01000759379-2; SR-01000759379-3; 6,8-difluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid-; 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid;Fleroxacin; 79660-53-0"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31810	DB04576	.	.	369.34	C17H18F3N3O3	64.099	595	-0.1	26	1	9	4	"1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h8-9H,2-7H2,1H3,(H,25,26)"	CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F	XBJBPGROQZJDOJ-UHFFFAOYSA-N
DG00746	Hydroxyurea	3657	"Hydroxyurea; 127-07-1; Hydroxycarbamide; N-Hydroxyurea; 1-HYDROXYUREA; Hydrea; Oxyurea; Carbamoyl oxime; Biosupressin; Hydroxycarbamine; Urea, hydroxy-; Onco-carbide; Carbamohydroxamic acid; Carbamohydroximic acid; Carbamyl hydroxamate; Hydura; Litalir; Hydurea; N-Carbamoylhydroxylamine; Droxia; Hidrix; Hydroxicarbamidum; Siklos; Hydroxylurea; Hydreia; Litaler; Idrossicarbamide [DCIT]; Hidroxicarbamida; Hydroxyharnstoff; Hydroxycarbamidum; Carbamohydroxyamic acid; N-Hydroxymocovina; Hydroxylamine, N-carbamoyl-; SQ 1089; Hydroxyharnstoff [German]; N-Hydroxymocovina [Czech]; hydroxy urea; NCI-C04831; Hydroxylamine, N-(aminocarbonyl)-; SK 22591; Hydroxycarbamidum [INN-Latin]; Hidroxicarbamida [INN-Spanish]; urea, N-hydroxy-; HU; CCRIS 958; HYDROXY-UREA; NSC 32065; UNII-X6Q56QN5QC; NSC32065; AI3-51139; Hydroxyurea (Cytodrox); MFCD00007943; CHEMBL467; SQ-1089; X6Q56QN5QC; CHEBI:44423; NSC-32065; 8029-68-3; NCGC00015520-03; Hydroxycarbamid; Oncocarbide; Idrossicarbamide; DSSTox_CID_5438; DSSTox_RID_77787; DSSTox_GSID_25438; NHY; Hydroxyurea (D4); N-HYDROXY UREA; Mylocel; carbamide oxide; CAS-127-07-1; SMR000059149; Hydroxyurea (USP); Droxia (TM); Droxia (TN); Hydrea (TM); hydroxyaminomethanamide; HSDB 6887; SR-01000075919; DRG-0253; EINECS 204-821-7; HYDREA (TN); Hydroxyurea [USAN:USP]; BRN 1741548; Hydroxycarbamide (JAN/INN); hydroxyl urea; Xromi; S-phase/G-1 interface inhibitor; aminohydroxamic acid; carbamic acid oxime; Carbomohydroxamic acid; Spectrum_000909; Hydroxycarbamide [INN]; WLN: ZVMQ; Hydrea (Bristol Meyers); Spectrum2_000064; Spectrum3_000462; Spectrum4_000012; Spectrum5_000836; Lopac-H-8627; MolMap_000029; H 8627; NCIMech_000139; Hydroxyurea, 98%, powder; Lopac0_000596; BSPBio_002164; KBioGR_000383; KBioSS_001389; 4-03-00-00170 (Beilstein Handbook Reference); hydroxycarbamide (hydroxyurea); MLS001332381; MLS001332382; MLS002153389; DivK1c_000556; N-(Aminocarbonyl)hydroxylamine; SPECTRUM1500344; SPBio_000247; GTPL6822; DTXSID6025438; tetratogen: inhibits ribonucleoside diphosphate reductase; HMS501L18; KBio1_000556; KBio2_001389; KBio2_003957; KBio2_006525; KBio3_001384; NINDS_000556; Bio1_000451; Bio1_000940; Bio1_001429; HMS1920F09; HMS2091L17; HMS2234I03; HMS3261H14; HMS3373G18; HMS3655K20; HMS3869C03; NCI C04831; Pharmakon1600-01500344; ACT02611; ALBB-028465; AMY40858; HY-B0313; STR02555; ZINC8034120; Tox21_110168; Tox21_300319; Tox21_500596; BBL009928; BDBM50017811; CCG-35236; NSC757072; s1896; STL145898; AKOS005716276; AKOS006222547; Tox21_110168_1; ZINC100019199; DB01005; LP00596; MCULE-9465284053; NSC-757072; SDCCGSBI-0050578.P006; IDI1_000556; NCGC00015520-01; NCGC00015520-02; NCGC00015520-04; NCGC00015520-05; NCGC00015520-06; NCGC00015520-07; NCGC00015520-08; NCGC00015520-09; NCGC00015520-10; NCGC00015520-11; NCGC00015520-20; NCGC00093974-01; NCGC00093974-02; NCGC00093974-03; NCGC00093974-04; NCGC00093974-05; NCGC00254007-01; NCGC00261281-01; AC-22674; NCI60_002773; SBI-0050578.P004; DB-041849; EU-0100596; FT-0627160; FT-0627175; FT-0670210; H0310; SW218071-2; C07044; D00341; Hydroxyurea, Vetec(TM) reagent grade, >=98%; AB00052018-09; AB00052018-10; AB00052018_11; AB00052018_12; 127H071; A805636; Q212272; J-504798; SR-01000075919-1; SR-01000075919-3; SR-01000075919-8; E0723DBA-5AF3-49D1-B5F6-59420AB87AC9; F8880-0905; Z1522566612; Hydroxycarbamide, European Pharmacopoeia (EP) Reference Standard; Hydroxyurea, United States Pharmacopeia (USP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:44423	DB01005	DR01177	.	76.055	CH4N2O2	75.4	42.9	-1.8	5	3	2	0	"1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)"	C(=O)(N)NO	VSNHCAURESNICA-UHFFFAOYSA-N
DG00750	Lidocaine	3676	"Lidocaine; 137-58-6; Lignocaine; Xylocaine; 2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide; Lidoderm; Anestacon; Esracaine; Duncaine; Alphacaine; Cappicaine; Gravocain; Isicaina; L-Caine; Leostesin; Maricaine; Xylestesin; Xylocain; Xylocitin; Solcain; Isicaine; Rucaina; Xilina; Xycaine; Xylotox; Cito optadren; Lida-Mantle; Dalcaine; 2-(Diethylamino)-2',6'-acetoxylidide; Xyloneural (free base); Cuivasil; Jetocaine; Lidocainum; Remicaine; Xilocaina; 2-Diethylamino-N-(2,6-dimethylphenyl)acetamide; Acetamide, 2-(diethylamino)-N-(2,6-dimethylphenyl)-; Diethylaminoaceto-2,6-xylidide; ELA-Max; 2',6'-Acetoxylidide, 2-(diethylamino)-; alpha-Diethylamino-2,6-dimethylacetanilide; Lidocaton; alfa-Dietilamino-2,6-dimetilacetanilide; CHEBI:6456; UNII-98PI200987; Xylocaine (TN); CHEMBL79; MFCD00026733; LIDOPEN; N-(2,6-dimethylphenyl)-N~2~,N~2~-diethylglycinamide; MLS000069724; Dentipatch; Lignocainum; Xllina; NSC-40030; N-(2,6-dimethylphenyl)-N(2),N(2)-diethylglycinamide; Lidocaine (VAN); .alpha.-Diethylaminoaceto-2,6-xylidide; NCGC00015611-10; Xilocaina [Italian]; Dilocaine; Lidocaina; SMR000058189; .alpha.-(Diethylamino)-2,6-acetoxylidide; Lidocaine Base; .alpha.-Diethylamino-2,6-dimethylacetanilide; .omega.-Diethylamino-2,6-dimethylacetanilide; 98PI200987; Lidocainum [INN-Latin]; DSSTox_CID_25166; DSSTox_RID_80716; DSSTox_GSID_45166; Lidocaina [INN-Spanish]; N-(2,6-Dimethylphenyl)-N2,N2-diethylglycinamide; 2-(Diethylamino)-N-(2,6-Dimethylphenyl)ethanamide; EMBOLEX; Versatis; Ztilido; ZTlido; 2-(Diethylamino)-N-(2,6-dimethylphenyl)-acetamide; Dentipatch (TN); CAS-137-58-6; LQZ; HSDB 3350; EINECS 205-302-8; NSC 40030; alfa-Dietilamino-2,6-dimetilacetanilide [Italian]; BRN 2215784; Qualigens; Xyline; Lignocaine base; LidocaineHClH2O; Lidocaine [USP:INN:BAN:JAN]; Lidocaine, powder; N1-(2,6-dimethylphenyl)-N2,N2-diethylglycinamide; Zingo (Salt/Mix); CDS1_000283; Lidocaine (Alphacaine); Spectrum_001118; Lidothesin (Salt/Mix); Xyloneural (Salt/Mix); Opera_ID_385; Maybridge1_002571; Prestwick0_000050; Prestwick1_000050; Prestwick2_000050; Prestwick3_000050; Spectrum2_001343; Spectrum3_001392; Spectrum4_000070; Spectrum5_001549; Lopac-L-5647; Lidaform HC (Salt/Mix); Epitope ID:116205; Lidamantle HC (Salt/Mix); 2', 2-(diethylamino)-; Neosporin Plus (Salt/Mix); Lopac0_000669; SCHEMBL15689; BSPBio_000179; BSPBio_001359; BSPBio_003004; KBioGR_000079; KBioGR_000599; KBioSS_000079; KBioSS_001598; 2-Diethylamino-N-(2,6-dimethyl-phenyl)-acetamide; 4-12-00-02538 (Beilstein Handbook Reference); MLS000758263; MLS001074177; MLS001423964; BIDD:GT0342; Diethylaminoacet-2,6-xylidide; DivK1c_000174; DivK1c_001323; Lidocaine, analytical standard; SPBio_001525; SPBio_002100; Lidocaine (JP17/USP/INN); ALGRX 3268; ALGRX-3268; BPBio1_000197; GTPL2623; DTXSID1045166; SCHEMBL17967359; HMS548M19; KBio1_000174; KBio2_000079; KBio2_001598; KBio2_002647; KBio2_004166; KBio2_005215; KBio2_006734; KBio3_000157; KBio3_000158; KBio3_002224; ZINC20237; Lidocaine 1.0 mg/ml in Methanol; NINDS_000174; Bio1_000379; Bio1_000868; Bio1_001357; Bio2_000079; Bio2_000559; HMS1791D21; HMS1989D21; HMS2051C21; HMS2089E15; HMS2235O14; HMS3371J04; HMS3393C21; HMS3428O07; HMS3651G09; AMY25560; BCP09081; HY-B0185; NSC40030; Tox21_110183; BDBM50017662; NSC789222; s1357; STK552033; AKOS001026768; Tox21_110183_1; CCG-100824; CS-2070; DB00281; MCULE-9294700940; NC00074; NSC-789222; SB19118; SDCCGSBI-0050648.P005; WLN: 2N2 & 1VMR B1 F1; .alpha.-Diethylamino-2,6-acetoxylidide; CAS-73-78-9; IDI1_000174; IDI1_033829; NCGC00015611-01; NCGC00015611-02; NCGC00015611-03; NCGC00015611-04; NCGC00015611-05; NCGC00015611-06; NCGC00015611-07; NCGC00015611-08; NCGC00015611-09; NCGC00015611-11; NCGC00015611-12; NCGC00015611-13; NCGC00015611-14; NCGC00015611-15; NCGC00015611-16; NCGC00015611-18; NCGC00015611-31; NCGC00022176-05; NCGC00022176-06; NCGC00022176-07; NCGC00022176-08; NCGC00022176-09; AC-10282; AS-13718; M620; SY052029; 2-(Diethylamino)-2'',6''-acetoxylidide; SBI-0050648.P004; AB00053581; L0156; SW196598-4; A18187; C07073; D00358; J10173; M06299; AB00053581-27; AB00053581-28; AB00053581_29; AB00053581_30; A833036; Q216935; (2,6-dimethylphenyl)carbamoylmethyl-diethyl-azanium; N1-(2,6-dimethylphenyl)-2-(diethylamino)acetamide; W-108233; 2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide #; BRD-K52662033-001-02-6; BRD-K52662033-003-05-5; BRD-K52662033-003-14-7; Z55135799; Lidocaine, British Pharmacopoeia (BP) Reference Standard; Lidocaine, European Pharmacopoeia (EP) Reference Standard; N~1~-(2,6-dimethylphenyl)-N~2~,N~2~-diethylglycinamide; Lidocaine, United States Pharmacopeia (USP) Reference Standard; 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide hydrate hydrochloride; Lidocaine, Pharmaceutical Secondary Standard; Certified Reference Material; Lidocaine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; 91484-71-8"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6456	DB00281	DR00849	DR0953	234.34	C14H22N2O	32.299	228	2.3	17	1	2	5	"1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)"	CCN(CC)CC(=O)NC1=C(C=CC=C1C)C	NNJVILVZKWQKPM-UHFFFAOYSA-N
DG00754	Iopromide	3736	"Iopromide; 73334-07-3; Ultravist; Iopromidum; Iopromida; N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(2-methoxyacetamido)-N1-methylisophthalamide; ZK 35760; UNII-712BAC33MZ; 1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-3-N-methylbenzene-1,3-dicarboxamide; magnesium methanide propan-1-ide(1:1:1); 712BAC33MZ; Ultravist 300; CHEBI:63578; N,N'-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(2-methoxyacetamido)-N-methylisophthalamide; n,n'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(methoxyacetyl)amino]-n-methylisophthalamide; Ultravist 370; iopromid; DSSTox_CID_3163; DSSTox_RID_76898; DSSTox_GSID_23163; Proscope; SHL 414C; Iopromidum [INN-Latin]; Iopromida [INN-Spanish]; Ultravist 150; Ultravist 240; EINECS 277-385-9; Ultravist (pharmacy bulk); BRN 7085608; Iopromide [USAN:USP:INN:BAN]; Ultravist (TN); NCGC00016923-01; Proscope (TN); CAS-73334-07-3; BAY86-4877; BAY 86-4877; ZK-35760; Prestwick0_000872; Prestwick1_000872; Prestwick2_000872; Prestwick3_000872; CHEMBL1725; Iopromide (JAN/USP/INN); SCHEMBL24546; BSPBio_000943; MLS002154045; Iopromide, analytical standard; SPBio_002864; BPBio1_001039; DTXSID0023163; C18H24I3N3O8; HMS1570P05; HMS2097P05; HMS2233O23; HMS3370M05; HMS3714P05; BCP08449; HY-B1362; Tox21_110684; Ultravist 300 In Plastic Container; AC-535; MFCD00867924; s3207; AKOS025402129; Tox21_110684_1; CCG-220872; DB09156; Iopromid 100 microg/mL in Acetonitrile; NCGC00179367-01; NCGC00179367-03; 1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-((methoxyacetyl)amino)-N-methyl-; 1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-5-((methoxyacetyl)amino)-N-methyl-2,4,6-triiodo-; BS-17441; I661; SMR001233368; AB00513942; CS-0013103; FT-0627283; D01893; 334I073; SR-01000841262; Q4202805; SR-01000841262-2; Iopromide, European Pharmacopoeia (EP) Reference Standard; Iopromide, United States Pharmacopeia (USP) Reference Standard; Iopromide for system suitability 1, European Pharmacopoeia (EP) Reference Standard; Iopromide for system suitability 2, European Pharmacopoeia (EP) Reference Standard; N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N-methyl-5-{[(methyloxy)acetyl]amino}benzene-1,3-dicarboxamide; N-(2,3-dihydroxypropyl)-3-[(2,3-dihydroxypropyl)(methyl)carbamoyl]-5-[(1-hydroxy-2-methoxyethylidene)amino]-2,4,6-triiodobenzene-1-carboximidic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63578	DB09156	.	.	791.1	C18H24I3N3O8	169	647	-2.1	32	6	8	11	"1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)"	CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I	DGAIEPBNLOQYER-UHFFFAOYSA-N
DG00759	Isoproterenol	3779	"Isoproterenol; Isoprenaline; Novodrin; Isoprenalin; Isopropydrin; Norisodrine; 7683-59-2; Aludrine; Asiprenol; Assiprenol; Bellasthman; Respifral; Asmalar; Isopropylarterenol; Neodrenal; Proternol; Aludrin; Isadrine; neo-Epinine; N-Isopropylnoradrenaline; Bronkephrine; Isonorene; Isonorin; Isopropyladrenaline; Isorenin; Lomupren; Saventrine; N-Isopropylnorepinephrine; Isopropylnorepinephrine; Isopropylnoradrenaline; Isopropyl noradrenaline; Vapo-N-iso; Isupren; Racemic isoprenaline; dl-Isadrine; Racemic isoproterenol; (+-)-Isoproterenol; Epinephrine isopropyl homolog; Isoprenalinum; Aleudrine; (+-)-Isoprenaline; Isoprenalina; Aleudrin; Dihydroxyphenylethanolisopropylamine; DL-ISOPROTERENOL; WIN 5162; 1-(3,4-Dihydroxyphenyl)-2-(isopropylamino)ethanol; 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol; ICI 46399; 1-(3,4-Dihydroxyphenyl)-2-isopropylaminoethanol; alpha-(Isopropylaminomethyl)protocatechuyl alcohol; N-Isopropyl-beta-dihydroxyphenyl-beta-hydroxyethylamine; Isoprenaline (INN); 4-(1-Hydroxy-2-((1-methylethyl)amino)ethyl)-1,2-benzenediol; 1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-; CHEMBL434; 4-(1-Hydroxy-2-(isopropylamino)ethyl)benzene-1,2-diol; 149-53-1; 3,4-Dihydroxy-alpha-((isopropylamino)methyl)benzyl alcohol; Isoproterenolum; CHEBI:64317; 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-; Isopropylaminomethyl(3,4-dihydroxyphenyl)carbinol; 7683-59-2 (free); NSC-9975; NSC33791; Isoprenaline [INN]; NSC-33791; 3,4-dihydroxy-alpha-[(isopropylamino)methyl]benzyl alcohol; NCGC00015558-06; 3,4-Dihydroxy-.alpha.-(isopropylaminomethyl)-benzyl alcohol; Isoproterenol [JAN]; Protocatechuyl alcohol,-; DSSTox_CID_3175; DL(+-)-Isoproterenol; L-Isoproterenol; Levisoprenaline; Proternol L; DSSTox_RID_76904; DSSTox_GSID_23175; Isoprenalinum [INN-Latin]; .alpha.-(Isopropylaminomoethyl)protocatechuyl alcohol; Isoprenalina [INN-Spanish]; Isoproterenol Chloride; WLN: QR BQ DYQ1MY1&1; 3,4-Dihydroxy-.alpha.-[(isopropylamino)methyl]benzyl alcohol; 4-{1-hydroxy-2-[(1-methylethyl)amino]ethyl}benzene-1,2-diol; 4-[1-Hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol; CAS-7683-59-2; ISOPROP; CCRIS 3081; NSC 9975; 1, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-; EINECS 231-687-7; NSC 33791; Isopropylaminomethyl-3,4-dihydroxyphenyl carbinol; 4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol; BRN 2213857; Benzyl alcohol,4-dihydroxy-.alpha.-[(isopropylamino)methyl]-; Isoproterenol-l; Isoproterenol;; Isoproterenol (-); Isoproterenol,(+); Protocatechuyl alcohol, alpha-(isopropylaminomethyl)-; ISOPROTERONOL; Isoproterenol dl-form; Isuprel (Salt/Mix); Izadrin (Salt/Mix); Euspiran (Salt/Mix); (+/-)-isoprenaline; (+/-)-isoproterenol; Spectrum_000949; 114-45-4; Prestwick0_001097; Prestwick1_001097; Prestwick2_001097; Spectrum2_001061; Spectrum3_000474; Spectrum4_000024; Spectrum5_000880; (.+/-.)-Isoprenaline; (.+/-.)-Isoproterenol; SCHEMBL4165; DL(.+/-.)-Isoproterenol; Lopac0_000711; Oprea1_009434; BSPBio_002208; GTPL536; KBioGR_000427; KBioSS_001429; 3-13-00-02387 (Beilstein Handbook Reference); DivK1c_000894; SPBio_001042; SPBio_003057; SGCUT00015; 4-(1-Hydroxy-2(isopropylamino)ethyl)-benzene 1,2-diol; DTXSID4023175; BDBM25392; KBio1_000894; KBio2_001429; KBio2_003997; KBio2_006565; KBio3_001428; NSC9975; NINDS_000894; 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol; HMS2089A12; HMS3742A11; BCP09043; Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamino)methyl)-; to_000062; (A+/-)-Isoproterenol hydrochloride; Tox21_110172; PDSP1_001425; PDSP2_001409; STL558077; AKOS015913894; Tox21_110172_1; CCG-204727; CCG-204796; DB01064; MCULE-6061231962; SDCCGSBI-0050620.P003; SDCCGSBI-0050689.P005; IDI1_000894; NCGC00015558-04; NCGC00015558-05; NCGC00015558-07; NCGC00015558-08; NCGC00015558-09; NCGC00015558-10; NCGC00015558-11; NCGC00015558-12; NCGC00015558-14; NCGC00015558-25; NCGC00016665-02; NCGC00025274-03; NCGC00025274-04; NCGC00162220-01; A-21; SBI-0050689.P004; FT-0724367; C07056; D08090; AB00053487-09; AB00053487-10; AB00053487_11; AB00053487_12; 683I592; AG-219/03618046; L000936; Q415550; .alpha.-(Isopropylaminomethyl)protocatechuyl alcohol; Protocatechuyl alcohol,.alpha.-(isopropylamino-methyl),-; 3,4-dihydroxy-alpha-[(isopropylamino)methyl]-benzyl alcohol; 4-[1-Hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol #; N-Isopropyl-.beta.-dihydroxyphenyl-.beta.-hydroxyethylamine; 4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;hydrochloride; 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol, 2; Benzyl alcohol, 3,4-dihydroxy-.alpha.-((isopropylamino)methyl)-; 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)- (9CI); Iso"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:64317	.	.	DR0887	211.26	C11H17NO3	72.7	187	-0.6	15	4	4	4	"1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3"	CC(C)NCC(C1=CC(=C(C=C1)O)O)O	JWZZKOKVBUJMES-UHFFFAOYSA-N
DG00764	Lofepramine	3947	"LOFEPRAMINE; Lopramine; 23047-25-8; Amplit; Leo 640; UNII-OCA4JT7PAW; Gamanil; 4'-Chlor-2-((3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)methylamino)acetophenon; OCA4JT7PAW; CHEBI:47782; 1-(4-chlorophenyl)-2-{[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl](methyl)amino}ethanone; Ethanone, 1-(4-chlorophenyl)-2-((3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)methylamino)-; 1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethanone; Acetophenone, 4'-chloro-2-((3-(10,11-dihydro-5H-dibenz(b,f)azepin5-yl)propyl)methylamino)-; Lofepramina; Lofepraminum; Lomont; Lofepramine [INN:BAN]; Lofepraminum [INN-Latin]; Lofepramina [INN-Spanish]; 4'-chloro-2-((3-(10,11-dihydro-5H-dibenz(b,f)azepin5-yl)propyl)methylamino)acetophenone; 1-(4-Chlorophenyl)-2-((3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl)(methyl)amino)ethan-1-one; 1-(4-chlorophenyl)-2-{[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]methylamino}ethanone; Ethanone, 1-(4-chlorophenyl)-2-[[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]methylamino]-; HSDB 7184; NCGC00166397-02; EINECS 245-396-8; DB 2182; Lofepramine (INN); Lofepramine- Bio-X; Gamanil (Salt/Mix); Gamonil (Salt/Mix); Timelit (Salt/Mix); Tymelyt (Salt/Mix); SCHEMBL35028; CHEMBL87708; GTPL7551; DTXSID2023220; BDBM82437; HMS3269O19; HMS3413F21; HMS3677F21; HMS3715L16; NSC_3947; ZINC1542929; Lofepramin hydrochloride (Salt/Mix); AKOS024457158; CCG-221257; DB13411; 4'-Chloro-2-[[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]methylamino]acetophenone; NCGC00166397-01; NCGC00166397-03; BL164630; HY-12390; US8629135, SW-06; CAS_23047-25-8; B7097; CS-0011244; FT-0670832; D08140; AB00698521-05; A854424; L000944; Q368941; J-014957; 1-(4-Chlorophenyl)-2-[[3-(10,11-dihydro-5H-dibenz(Z)[b,f]azepin-5-yl)propyl]methylamino]ethanone; 1-(4-Chlorophenyl)-2-[[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl](methyl)amino]ethanone #; N-Methyl-N(4-chlorobenzoylmethyl)-3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propylamine hydrochloride"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:47782	.	.	.	419	C26H27ClN2O	23.6	523	6.8	30	0	3	7	"1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3"	CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)CC(=O)C4=CC=C(C=C4)Cl	SAPNXPWPAUFAJU-UHFFFAOYSA-N
DG00768	Mecamylamine	4032	"Mecamylamine; Versamine; Mecamine; Revertina; Mecamilamina; Mekamine; 2-Methylaminoisocamphane; 60-40-2; Mevasine; 3-Methylaminoisocamphane; N,2,3,3-Tetramethylbicyclo[2.2.1]heptan-2-amine; N-Methyl-2-isocamphanamine; 2-Methylamino-2,3,3-trimethylnorbornane; N,2,3,3-Tetramethyl-2-norbornamine; N,2,3,3-Tetramethyl-2-norcamphanamine; 2-Norbornanamine, N,2,3,3-tetramethyl-; Bicyclo(2.2.1)heptan-2-amine, N,2,3,3-tetramethyl-; CHEBI:6706; CHEMBL267936; Mecamylaminum; Bicyclo[2.2.1]heptan-2-amine, N,2,3,3-tetramethyl-; NCGC00015703-03; Mecamilamina [DCIT]; Mecamilamina [Italian]; DSSTox_CID_3240; DSSTox_RID_76937; DSSTox_GSID_23240; Mecamylamine [INN:BAN]; Mecamylaminum [INN-Latin]; Mecamylamine base; 3-Methylaminoisokamfan; 3-Methylaminoisokamfan [Czech]; CAS-60-40-2; EINECS 200-476-1; 3-beta-Methylamino-2,2,3-trimethylbicyclo(2.2.1)heptane; Inversine (Salt/Mix); Spectrum_000304; SpecPlus_000736; Prestwick0_001111; Prestwick1_001111; Prestwick2_001111; Prestwick3_001111; Spectrum3_000736; Spectrum4_001257; Spectrum5_001616; Lopac0_000841; SCHEMBL34252; BSPBio_001242; BSPBio_002292; KBioGR_001814; KBioSS_000784; DivK1c_006832; SPBio_003111; BPBio1_001367; GTPL3990; DTXSID0023240; KBio1_001776; KBio2_000784; KBio2_003352; KBio2_005920; KBio3_001512; HMS3604D12; 107538-05-6; ALBB-023410; Tox21_110198; BDBM50061565; AKOS003662515; Tox21_110198_1; CCG-204924; DB00657; SDCCGSBI-0050817.P005; NCGC00015703-02; NCGC00015703-04; NCGC00015703-06; NCGC00015703-12; NCGC00162272-01; NCGC00162272-02; SBI-0050817.P004; AB00053764; C07511; AB00053764_03; Q3332124; BRD-A20119038-001-01-5; BRD-A20119038-003-01-1; N,2,3,3-Tetramethylbicyclo[2.2.1]heptan-2-amine #; Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-amine; (+)Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-amine; (-)Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-amine; 3-.beta.-Methylamino-2,2,3-trimethylbicyclo(2.2.1)heptane; (+/-)Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-amine; methyl(2,3,3-trimethylbicyclo[2.2.1]hept-2-yl)amine hydrochloride; Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-amine(Mecamylamine)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6706	DB00657	.	.	167.29	C11H21N	12	197	2.6	12	1	1	1	"1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3"	CC1(C2CCC(C2)C1(C)NC)C	IMYZQPCYWPFTAG-UHFFFAOYSA-N
DG00775	Midodrine	4195	"Midodrine; Midodrin; 42794-76-3; Midodrina; Midodrinum; Midodrinum [INN-Latin]; Midodrina [INN-Spanish]; ProAmatine; 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide; St 1085; Midodrine free base; ST-1085; 1-(2',5'-Dimethoxyphenyl)-2-glycinamidoethanol; DL-N1-(beta-Hydroxy-2,5-dimethoxyphenethyl)glycinamid; Acetamide, 2-amino-N-(2-(2,5-dimethoxyphenyl)-2-hydroxyethyl)-; CHEBI:6933; 42794-76-3 (free base); 2-Amino-N-(2,5-dimethoxy-beta-hydroxyphenethyl)acetamide; 2-amino-N-(2-(2,5-dimethoxyphenyl)-2-hydroxyethyl)acetamide; Midodrine [INN:BAN]; 97476-58-9; Midodrine (INN); 133163-28-7; EINECS 255-945-3; 2-Amino-N-(2,5-dimethoxy-beta-hydroxyphenethyl)acetamid; 2-Amino-N-(2,5-dimethoxy-beta-hydroxyphenethylacetamide; (RS)-N'-(beta-Hydroxy-2,5-dimethoxy-phenethyl)glycinamid; HSDB 7854; Spectrum_001641; Prestwick0_000191; Prestwick1_000191; Prestwick2_000191; Prestwick3_000191; Spectrum2_001545; Spectrum3_001585; Spectrum4_000192; Spectrum5_000962; BSPBio_000141; BSPBio_003150; KBioGR_000763; KBioSS_002121; DivK1c_000955; SCHEMBL131436; SPBio_001390; SPBio_002062; BPBio1_000157; GTPL7240; CHEMBL1201212; DTXSID0023321; SCHEMBL20996761; KBio1_000955; KBio2_002121; KBio2_004689; KBio2_007257; KBio3_002650; NINDS_000955; HMS3886M20; N-{2-[2,5-bis(methyloxy)phenyl]-2-hydroxyethyl}glycinamide; 2-AMINO-N-[2-(2,5-DIMETHOXYPHENYL)-2-HYDROXY-ETHYL]ACETAMIDE; s5735; AKOS015967099; CS-4688; DB00211; MCULE-7047456030; ( inverted exclamation markA)-Midodrine; IDI1_000955; NCGC00178238-01; NCGC00178238-02; DA-05918; HY-12749; SBI-0051934.P002; AB00053715; FT-0740719; C07890; D08220; AB00053715_08; A913477; Q415051; BRD-A79981887-003-05-7; BRD-A79981887-003-09-9; rac-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]glycinamide; (+-)-2-amino-N-(beta-hydroxy-2,5-dimethoxyphenethyl)acetamide; (+/-)-2-amino-n-(beta-hydroxy-2,5-dimethoxyphenethyl)acetamide; 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]ethanimidic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6933	DB00211	DR01164	DR1088	254.28	C12H18N2O4	93.8	263	-0.6	18	3	5	6	"1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)"	COC1=CC(=C(C=C1)OC)C(CNC(=O)CN)O	PTKSEFOSCHHMPD-UHFFFAOYSA-N
DG00782	Nicardipine	4474	"Nicardipine; 55985-32-5; Nicardipinum; Nicardipinum [INN-Latin]; Nicardipino [INN-Spanish]; Cardene; Perpidine; CHEBI:7550; YC-93 (free base); Cardene (TN); 2-(Benzylmethylamino)ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)pyridine-3,5-dicarboxylate; 3-(2-(benzyl(methyl)amino)ethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; Dagan; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(benzylmethylamino)ethyl methyl ester; 5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; NCGC00015747-03; Nicardipino; DSSTox_CID_3363; Nicardipine [INN:BAN]; DSSTox_RID_76992; DSSTox_GSID_23363; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-(methyl(phenylmethyl)amino)ethyl ester; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino]ethyl ester; Nicardipine (INN); CAS-55985-32-5; EINECS 259-932-3; BRN 0504321; Flusemide; Nicardipine (stn); FlusemideNicardipine; 3-{2-[benzyl(methyl)amino]ethyl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; (R,S)-nicardipine; Spectrum_001372; Prestwick0_000383; Prestwick1_000383; Prestwick2_000383; Prestwick3_000383; Spectrum2_001415; Spectrum3_001452; Spectrum4_000422; Spectrum5_001320; CHEMBL1484; CBiol_001802; Lopac0_000809; Oprea1_436998; SCHEMBL34277; BSPBio_000565; BSPBio_001389; BSPBio_002943; KBioGR_000109; KBioGR_000744; KBioSS_000109; KBioSS_001852; BIDD:GT0621; DivK1c_000540; SPBio_001490; SPBio_002486; BPBio1_000623; GTPL2559; CHEMBL3302409; DTXSID6023363; KBio1_000540; KBio2_000109; KBio2_001852; KBio2_002677; KBio2_004420; KBio2_005245; KBio2_006988; KBio3_000217; KBio3_000218; KBio3_002443; CHEBI:180905; NINDS_000540; Bio1_000088; Bio1_000577; Bio1_001066; Bio2_000109; Bio2_000589; HMS1791F11; HMS1989F11; HMS2089C09; HMS3886G17; BCP21397; EX-A4680; Tox21_110211; BDBM50101815; s5255; AKOS001637090; Tox21_110211_1; CCG-204893; CS-3685; DB00622; SDCCGSBI-0050786.P004; IDI1_000540; IDI1_033859; NCGC00015747-02; NCGC00015747-04; NCGC00015747-05; NCGC00015747-06; NCGC00015747-07; NCGC00015747-09; NCGC00015747-11; NCGC00015747-18; NCGC00162262-01; NCGC00162262-02; NCGC00162262-03; NCGC00162262-04; AC-19947; AS-56335; BN166182; HY-12515; methyl 2-[methyl(phenylmethyl)amino]ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; SBI-0050786.P003; DB-052833; AB00514658; FT-0630688; V1328; C07264; D08270; AB00053604-03; AB00053604_04; AB00053604_05; 985N325; A924111; L000715; Q729213; BRD-A26711594-001-02-7; BRD-A26711594-003-05-6; BRD-A26711594-003-06-4; L-GLUTAMICACID,N-(1-DEOXY-D-FRUCTOS-1-YL)-; 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid methyl 2-[methy(phenyl-methyl)amino]ethyl ester; 106664-28-2; 2,6-dimethyl-3-methoxycarbonyl-4-(3-nitrophenyl)-5-[ 2-(N-benzyl-N-methylamino)ethoxycarbonyl]-1,4-dihydropyridine; 2-(Benzylmethylamino) ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate; 2-(N-benzyl-N-methylamino)ethyl methyl 2,6-dimethyl-4(m-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 3-(2-[Benzyl(methyl)amino]ethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate #; 5-O-[2-[Benzyl(methyl)amino]ethyl] 3-O-methyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; Methyl 2-(benzyl-methyl-amino)ethyl2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; O5-methyl O3-[2-(methyl-(phenylmethyl)amino)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7550	DB00622	DR00280	.	479.5	C26H29N3O6	114	856	3.8	35	1	8	10	"1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3"	CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC	ZBBHBTPTTSWHBA-UHFFFAOYSA-N
DG00784	Nimodipine	4497	"Nimodipine; 66085-59-4; Nimotop; Periplum; Admon; Nimodipino; Nimodipinum; Bay-E 9736; Nimodipinum [INN-Latin]; Nimodipino [INN-Spanish]; BAY e 9736; Bay-e-9736; 3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; Isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate; CHEBI:7575; Nimodipine (Nimotop); 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-methoxyethyl 1-methylethyl ester; C21H26N2O7; MLS000863294; 3-O-(2-methoxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; Nymalize; MFCD00153848; NSC-758476; 3-(2-methoxyethyl) 5-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; NCGC00015714-09; SMR000058300; DSSTox_CID_3370; DSSTox_RID_76998; isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate; DSSTox_GSID_23370; 2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; nemotan; NimoGel; DRG-0139; Nimotop(TM); 1-methylethyl 2-(methyloxy)ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 2,6-dimethyl-4-(3'-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-beta-methoxyethyl ester 5-isopropyl ester; SR-01000075335; NIMOTOP (TN); EINECS 266-127-0; BRN 0459792; Nimodipine ap; NimoVent; Nimodipime,(S); Nimodipine [USAN:USP:INN:BAN]; Nymalize (TN); CAS-66085-59-4; EG-1961; Opera_ID_14; Spectrum_001880; SpecPlus_000716; Nimodipine (USP/INN); Prestwick0_000918; Prestwick1_000918; Prestwick2_000918; Prestwick3_000918; Spectrum2_001562; Spectrum3_000766; Spectrum4_000791; Spectrum5_001687; N-149; CBiol_001832; Lopac0_000891; SCHEMBL34041; BSPBio_000796; BSPBio_001397; BSPBio_002412; KBioGR_000117; KBioGR_001262; KBioSS_000117; KBioSS_002408; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,2-methoxyethyl 1-methylethyl ester; MLS000069381; MLS001076550; MLS001424155; MLS002154061; MLS002172461; MLS003899190; DivK1c_006812; SPECTRUM1503600; SPBio_001464; SPBio_002985; BPBio1_000876; GTPL2523; CHEMBL3197349; DTXSID5023370; SCHEMBL22882841; KBio1_001756; KBio2_000117; KBio2_002403; KBio2_002685; KBio2_004971; KBio2_005253; KBio2_007539; KBio3_000233; KBio3_000234; KBio3_001632; 3-isopropyl 5-(2-methoxyethyl); BRD8407; Bio1_000118; Bio1_000607; Bio1_001096; Bio2_000117; Bio2_000597; HMS1361F19; HMS1570H18; HMS1791F19; HMS1922E04; HMS1989F19; HMS2052M05; HMS2089H13; HMS2093G11; HMS2097H18; HMS2234B05; HMS3262D04; HMS3266O22; HMS3369G07; HMS3394M05; HMS3402F19; HMS3411I12; HMS3657I03; HMS3675I12; HMS3714H18; Pharmakon1600-01503600; 3,5-pyridinecarboxylic acid 2-methoxyethyl 1-methylethyl ester; ACT02628; ALBB-015317; AMY40399; BCP21152; BRD-8407; HY-B0265; 2,6-dimethyl-4-(3-nitrophenyl)-; Nimotop; ; ; Admon; ; ; BAY-e 9736; Tox21_110202; Tox21_500891; BBL028286; BDBM50101971; CA-211; CCG-39340; NSC758476; s1747; STK642934; AKOS005174934; AKOS015852459; Nimodipine - CAS 66085-59-4; Tox21_110202_1; AC-8484; CCG-101085; DB00393; KS-1304; LP00891; MCULE-4717687158; NC00335; NSC 758476; SDCCGSBI-0050866.P004; IDI1_033867; isopropyl 2-methoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; NCGC00015714-04; NCGC00015714-05; NCGC00015714-06; NCGC00015714-07; NCGC00015714-08; NCGC00015714-10; NCGC00015714-11; NCGC00015714-12; NCGC00015714-13; NCGC00015714-16; NCGC00015714-28; NCGC00021456-02; NCGC00024675-02; NCGC00024675-03; NCGC00024675-04; NCGC00024675-05; NCGC00024675-06; NCGC00024675-07; NCGC00024675-08; NCGC00024675-09; NCGC00261576-01; 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 2-methoxyethyl 1-methylethyl ester; Nimodipine 100 microg/mL in Acetonitrile; O5-isopropyl O3-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; SMR002530605; SBI-0050866.P003; AB00513963; EU-0100891; FT-0602600; N0896; SW219238-1; C07267; D00438; F20554; 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-; AB00053314-03; AB00053314-04; AB00053314_05; AB00053314_06; 085N594; Q421429; SR-01000075335-1; SR-01000075335-2; SR-01000075335-4; SR-01000075335-5; SR-01000075335-7; BRD-A58048407-001-06-3; BRD-A58048407-001-09-7; BAY E 9736 pound>> BAY-E-9736 pound>> BAYE97; Nimodipine, British Pharmacopoeia (BP) Reference Standard; Nimodipine, European Pharmacopoeia (EP) Reference Standard; Nimodipine, United States Pharmacopeia (USP) Reference Standard; Nimodipine, Pharmaceutical Secondary Standard; Certified Reference Material; Nimodipine for peak identification, EuropePharmacopoeia (EP) Reference Standard; 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 2-methyloxyethyl 1-methylethyl ester; 2-Methoxyethyl 1-Methylethyl 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate; 3-Isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate #; isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate; O5-(2-methoxyethyl) O3-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7575	DB00393	DR01211	DR1161	418.4	C21H26N2O7	120	736	3.1	30	1	8	9	"1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3"	CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC	UIAGMCDKSXEBJQ-UHFFFAOYSA-N
DG00791	Papaverine	4680	"Papaverine; Papaverin; 58-74-2; Papanerine; Robaxapap; Papanerin; Pavabid; 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline; Papaverina; Papaverine [BAN]; 6,7-Dimethoxy-1-veratrylisoquinoline; 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; Papaverine free base; NSC 136630; UNII-DAA13NKG2Q; Isoquinoline, 6,7-dimethoxy-1-veratryl-; Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-; S-M-R; Papaverine (BAN); 1-((3,4-Dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline; 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; DAA13NKG2Q; 1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-isoquinoline; 58-74-2 (free base); CHEMBL19224; 4-[(6,7-Dimethoxyisoquinolyl)methyl]-1,2-dimethoxybenzene; CHEBI:28241; HSDB 3147; Isoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-; NSC-136630; Pavacot; Papaverina [Italian]; Ceraspan; Mesotina (TN); EV1; NSC35443; CAS-61-25-6; NCGC00015810-02; EINECS 200-397-2; BRN 0312930; Papaverinum; 2wey; RS 47; TNP00305; Spectrum_000071; Prestwick0_000583; Prestwick1_000583; Prestwick2_000583; Prestwick3_000583; Spectrum2_000978; Spectrum3_000537; Spectrum4_000467; Spectrum5_001188; Lopac-P-3510; Isoquinoline, 6,7-dimethoxy-1-veratryl-(8Cl); Lopac0_000957; Oprea1_387689; Oprea1_810508; SCHEMBL34702; BSPBio_000426; BSPBio_002153; KBioGR_000914; KBioSS_000471; 5-21-06-00182 (Beilstein Handbook Reference); DivK1c_000321; 6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)isoquinoline; SPBio_001015; SPBio_002645; BPBio1_000470; MEGxp0_001880; DTXSID4023418; ACon1_000238; ACon1_002094; BDBM14754; KBio1_000321; KBio2_000471; KBio2_003039; KBio2_005607; KBio3_001653; ZINC56555; 1-[(3,4-Dimethoxyphenyl)methyl]6,7-dimethoxyisoquinoline; NINDS_000321; HMS3561N11; HMS3746M21; ALBB-010475; 1-{[3,4-bis(methyloxy)phenyl]methyl}-6,7-bis(methyloxy)isoquinoline; BBL012345; NSC136630; STK039035; Isoquinoline,7-dimethoxy-1-veratryl-; AKOS000277460; CCG-202821; CS-7800; DB01113; KS-5336; MCULE-9598291893; SDCCGMLS-0003037.P003; SDCCGSBI-0050931.P005; IDI1_000321; NCGC00015810-01; NCGC00015810-03; NCGC00015810-04; NCGC00015810-05; NCGC00015810-06; NCGC00015810-07; NCGC00015810-08; NCGC00015810-09; NCGC00015810-13; NCGC00015810-24; NCGC00015810-29; NCGC00024428-03; NCGC00024428-04; HY-18077; NCI60_003183; Papaverine 100 microg/mL in Acetonitrile; SBI-0050931.P004; DB-053252; AB00053515; Y1354; C06533; D07425; AB00053515_14; Isoquinoline, 6,7-dimethoxy-1-veratryl- (8CI); WLN: T66 CNJ B1R CO1 DO1& HO1 IO1; Q410374; 6,7-dimethoxy-1-veratryl-isoquinoline;hydrochloride; 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline #; BRD-K15567136-001-01-1; BRD-K15567136-003-06-6; BRD-K15567136-003-18-1; Isoquinoline,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-; SR-01000003098-10; 6,7-DIMETHOXY-1-(3.4-DIMETHOXYBENZYL)-ISOQUINOLINE"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28241	DB01113	DR00967	DR2299	339.4	C20H21NO4	49.8	407	3.9	25	0	5	6	"1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3"	COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC	XQYZDYMELSJDRZ-UHFFFAOYSA-N
DG00801	Promazine	4926	"Promazine; Protactyl; Romtiazin; Sinophenin; Prazine; Promazin; Prazin; Ampazine; Berophen; Promazina; Promwill; Verophen; Esparin; Liranol; 58-40-2; Neo-Hibernex; Tomil; Promazinum; Sparine; N-(3-Dimethylaminopropyl)phenothiazine; N-Dimethylamino-1-methylethyl thiodiphenylamine; RP 3276; WY 1094; 10-(3-(Dimethylamino)propyl)phenothiazine; 10H-Phenothiazine-10-propanamine, N,N-dimethyl-; A 145; UNII-O9M39HTM5W; NSC 31447; N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine; 10-[3-(Dimethylamino)propyl]phenothiazine; 3276 R. P.; O9M39HTM5W; CHEBI:8459; Propazinum; NSC-31447; 10H-Phenothiazine-10-propanamine, N,N-dimethyl- (9CI); Promazina [Italian]; Promazine [INN:BAN]; Phenothiazine, 10-(3-(dimethylamino)propyl)-; Phenothiazine, 10-[3-(dimethylamino)propyl]-; Promazinum [INN-Latin]; dimethyl[3-(10H-phenothiazin-10-yl)propyl]amine; Promazina [INN-Spanish]; Promazine (INN); 10H-Phenothiazine-10-propanamine, N,N-dimethyl-, monohydrochloride; HSDB 3172; CAS-53-60-1; NCGC00015829-02; EINECS 200-382-0; Combelen [veterinary] (TN); SR-01000000228-4; Wy-1094; N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine; P2Z; N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride; Sparine (Salt/Mix); Spectrum_000866; Dimethyl(3-phenothiazin-10-ylpropyl)amine; Prestwick0_000693; Prestwick1_000693; Prestwick2_000693; Prestwick3_000693; Spectrum2_000839; Spectrum3_001018; Spectrum4_001148; Spectrum5_001116; Lopac-P-6656; CHEMBL564; cid_5887; Lopac0_000961; Oprea1_813117; US9504692, Promazine; BSPBio_000845; BSPBio_002775; Chlorpromazine EP Impurity C; KBioGR_001695; KBioSS_001346; N,N-dimethyl-3-phenothiazin-10-yl-propan-1-amine; DivK1c_000419; SCHEMBL140489; SPBio_000797; SPBio_002766; BPBio1_000931; GTPL7281; DTXSID2023517; BDBM67545; KBio1_000419; KBio2_001346; KBio2_003914; KBio2_006482; KBio3_001995; ZINC10402; NINDS_000419; NSC31447; CCG-205041; DB00420; SDCCGSBI-0050934.P005; IDI1_000419; NCGC00015829-01; NCGC00015829-03; NCGC00015829-04; NCGC00015829-05; NCGC00015829-06; NCGC00015829-07; NCGC00015829-08; NCGC00015829-09; NCGC00015829-14; NCGC00015829-16; NCGC00024337-04; N-[3-(Dimethylamino)propyl]phenothiazine; WLN: T C666 BN ISJ B3N1&1; SBI-0050934.P004; WLN: T C666 BN ISJ BY2&N1&1; AB00053534; C07379; D08430; 10-(3-DIMETHYLAMINOPROPYL)-PHENOTHIAZINE; AB00053534_14; 058P402; A899796; L000671; Q419822; BRD-K06980535-003-15-0; dimethyl(3-phenothiazin-10-ylpropyl)amine;hydrochloride; N,N-Dimethyl-3-(10H-phenothiazin-10-yl)-1-propanamine #; N,N-dimethyl-3-(10H-phenothiazin-10-yl)-propan-1-amine; N,N-dimethyl-3-(10-phenothiazinyl)-1-propanamine;hydrochloride; N,N-dimethyl-3-phenothiazin-10-yl-propan-1-amine;hydrochloride; Promazine; Deschloro Chlorpromazine; N,N-Dimethyl-10H-phenothiazine-10-propanamine; 3-(10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8459	DB00420	DR00887	DR1351	284.4	C17H20N2S	31.8	285	4.5	20	0	3	4	"1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3"	CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31	ZGUGWUXLJSTTMA-UHFFFAOYSA-N
DG00802	Mepyramine	4992	"Pyrilamine; Mepyramine; 91-84-9; Pyranisamine; Anthisan; Dorantamin; Mepiramine; Kriptin; Antalergan; Antallergan; Histapyran; Neoantergan; Anhistabs; Anhistol; Antamine; Copsamine; Coradon; Harvamine; Histacap; Histalon; Histasan; Maranhist; Mepyren; Nyscaps; Paraminyl; Pyramal; Stamine; Stangen; Statomin; Thylogen; Dipane; Isamin; Parmal; Neo-Bridal; Afko-Hist; Mepyramin; PYRA; Wait's green mountain antihistamine; Pyrilamide; RP 2786; NCI-C60651; UNII-HPE317O9TL; N',N'-Dimethyl-N-(p-methoxybenzyl)-N-(2-pyridyl)ethylenediamine; 1,2-Ethanediamine, N-((4-methoxyphenyl)methyl)-N',N'-dimethyl-N-2-pyridinyl-; NSC13136; CHEMBL511; HPE317O9TL; N1-(4-Methoxybenzyl)-N2,N2-dimethyl-N1-(pyridin-2-yl)ethane-1,2-diamine; CHEBI:6762; 2-((p-Methoxybenzyl)(2-(dimethylamino)ethyl)amino)pyridine; Pyridine, 2-((p-methoxybenzyl)(2-(dimethylamino)ethyl)amino)-; N-(p-Methoxybenzyl)-N',N'-dimethyl-N-2-pyridyl-1,2-ethanediamine; [3H]mepyramine; [3H]pyrilamine; 1,2-Ethanediamine, N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyridinyl-; NSC-13136; 102206-59-7; NCGC00015822-09; 2-((2-(Dimethylamino)ethyl)-(p-methoxybenzyl)amino)pyridine; Pyridine, 2-((2-(dimethylamino)ethyl)(p-methoxybenzyl)amino)-; DSSTox_CID_3542; N-[2-(dimethylamino)ethyl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine; N-((4-Methoxyphenyl)methyl)-N',N'-dimethyl-N-2-pyridinyl-1,2-ethanediamine; DSSTox_RID_77071; DSSTox_GSID_23542; Mepyramin [German]; p-Methoxy-benzyl-.alpha.-pyridyl-dimethyl-aethylendiamin; 2-[[2-(Dimethylamino)ethyl](p-methoxybenzyl)amino]pyridine; Mepiramina; Mepyraminum; Mepyramine [INN:BAN]; Pyridine, 2-[[2-(dimethylamino)ethyl](p-methoxybenzyl)amino]-; N-(4-methoxybenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine; N-(p-Methoxybenzyl)-N',N'-dimethyl-N-(.alpha.-pyridyl)ethylenediamine; N-(p-Methoxybenzyl)-N',N'-dimethyl-N-(alpha-pyridyl)ethylenediamine; Mepyraminum [INN-Latin]; Mepiramina [INN-Spanish]; N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyridinyl-1,2-ethanediamine; CAS-91-84-9; [11C]pyrilamine; [11C]-pyrilamine; [11C]-Mepyramine; CCRIS 4865; HSDB 5187; CAS-59-33-6; EINECS 202-102-2; NSC 13136; BRN 0269019; 2-[(p-Methoxybenzyl)[2-(dimethylamino)ethyl]amino]pyridine; Pyriliamine; Neobridal; 2-[[2-(Dimethylamino)ethyl]-(p-methoxybenzyl)amino]pyridine; Pyridine, 2-[(p-methoxybenzyl)[2-(dimethylamino)ethyl]amino]-; Pyrlex; 3H]pyrilamine; N,N-dimethyl-N'-{[4-(methyloxy)phenyl]methyl}-N'-pyridin-2-ylethane-1,2-diamine; N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine; Mepyramine (INN); Histan (Salt/Mix); Pymafed (Salt/Mix); Antihist (Salt/Mix); Minihist (Salt/Mix); Spectrum_000904; Tocris-0660; Prefrin A (Salt/Mix); N-(p-Methoxybenzyl)-N',N'-dimethyl-N-2-pyridylethylenediamine; N-p-Methoxybenzyl-N',N'-dimethyl-N-alpha-pyridylethylenediamine; p-Methoxybenzyl-alpha-pyridyl-dimethyl-aethylendiamin [German]; N-(para-Methoxybenzyl)-N',N'-dimethyl-N-2-pyridylethylenediamine; N-para-Methoxybenzyl-N',N'-dimethyl-N-alpha-pyridylethylenediamine; Prestwick0_000289; Prestwick1_000289; Prestwick2_000289; Prestwick3_000289; Spectrum2_001306; Spectrum3_000605; Spectrum4_000493; Spectrum5_001264; Lopac-P-5514; Lopac0_000890; Oprea1_317349; SCHEMBL19114; BSPBio_000198; BSPBio_002110; KBioGR_001005; KBioSS_001384; 5-22-08-00381 (Beilstein Handbook Reference); BIDD:GT0215; DivK1c_000175; p-Methoxybenzyl-alpha-pyridyl-dimethyl-aethylendiamin; SPBio_001371; SPBio_002417; BPBio1_000218; CCRIS 1330 (Salt/Mix); GTPL1227; GTPL3957; 2-[(2-Dimethylaminoethyl)(p-methoxybenzyl)amino]pyridine; DTXSID9023542; BDBM22567; KBio1_000175; KBio2_001384; KBio2_003952; KBio2_006520; KBio3_001610; NINDS_000175; HMS2089M19; Tox21_110230; Tox21_200978; ZINC19144216; N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine; Tox21_110230_1; CCG-204972; DB06691; R.d. 2786; SDCCGSBI-0050865.P005; IDI1_000175; WLN: T6NJ BN2N1&1&1R DO1; WLN: T6NJ DN1R DO1&2N1&1; N-(p-Methoxybenzyl)-N',2-ethanediamine; NCGC00015822-01; NCGC00015822-02; NCGC00015822-03; NCGC00015822-04; NCGC00015822-05; NCGC00015822-06; NCGC00015822-07; NCGC00015822-08; NCGC00015822-10; NCGC00015822-11; NCGC00015822-12; NCGC00015822-13; NCGC00015822-15; NCGC00015822-17; NCGC00015822-21; NCGC00023513-02; NCGC00023513-04; NCGC00023513-05; NCGC00023513-06; NCGC00258531-01; SBI-0050865.P004; AB00053539; FT-0628211; D08183; AB00053539-19; AB00053539_20; AB00053539_21; L000391; Q3800087; BRD-K97564742-050-04-6; BRD-K97564742-050-05-3; BRD-K97564742-103-01-9; 1, N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyridinyl-; Ethylenediamine, N',N'-dimethyl-N-(p-methoxybenzyl)-N-(2-pyridyl)-; Ethylenediamine,N'-dimethyl-N-(p-methoxybenzyl)-N-(2-pyridyl)-; n,n-dimethyl-n'-(4-methoxybenzyl)-n'-(2-pyridyl)ethylenediamine; N,N-Dimethyl-N'-(p-methoxybenzyl)-N'-(2 -Pyridyl)ethylenediamine; N-(p-Methoxybenzyl)-N',N'-dimethyl-N-2-(pyridylethylene)diamine; N-p-Methoxybenzyl-N',N'-dimethyl-N-.alpha.-pyridylethylenediamine; Pyridine, 2-[[2-(dimethylamino)ethyl][p-methoxybenzyl)amino]]-; N,N-Dimethyl-N'-(4-methoxybenzyl)-N'-(.alpha.-pyridyl)-ethylenediaminene; N-(4-methoxybenzyl)-N ,N -dimethyl-N-pyridin-2-ylethane-1,2-diamine; N-Dimethylamino-aethyl-N-p-methoxy-benzyl-.alpha.-amino-pyridin-maleat; 1,2-Ethanediamine, N-((4-methoxyphenyl)methyl)-N',N'-dimethyl-N-2-pyridinyl- (9CI); 1,2-Ethanediamine, N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyridyl-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6762	DB06691	.	.	285.4	C17H23N3O	28.6	277	3.3	21	0	4	7	"1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3"	CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2	YECBIJXISLIIDS-UHFFFAOYSA-N
DG00805	Raloxifene	5035	"Raloxifene; 84449-90-1; Keoxifene; Raloxifenum; Evista; Raloxifenum [Latin]; Raloxifeno [Spanish]; Raloxifeno; Pharoxifene; LY 139481; LY-139481; UNII-YX9162EO3I; Optruma; CHEMBL81; (6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl)(4-(2-(piperidin-1-yl)ethoxy)phenyl)methanone; (2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)methanone; [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone; Keoxifene; LY 139481;; CHEBI:8772; YX9162EO3I; NSC-747974; Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-; LY139481; 2-(4-hydroxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]benzoyl}-1-benzothiophen-6-ol; Raloxifene [INN:BAN]; 2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethoxy]phenyl}carbonyl)-1-benzothiophen-6-ol; Methanone, [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-; CCRIS 7129; HSDB 7460; NCGC00015889-05; CAS-82640-04-8; Raloxiphene; Eviden; Raxeto; Raloxifene D4; Raloxifene, 6; [2-(4-Hydroxyphenyl)-6-hydroxybenzo[b]thien-3-yl][4-(2-(1-piperidinyl)ethoxy)phenyl]methanone; [2-(4-hydroxyphenyl)-6-hydroxybenzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone; [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[(2-piperidin-1-ylethyl)oxy]phenyl}methanone; Raloxifene (INN); Eviden (TN); Raxeto (TN); Prestwick0_000862; Prestwick1_000862; Prestwick2_000862; Prestwick3_000862; Lopac-R-1402; DSSTox_CID_3550; SCHEMBL6144; DSSTox_RID_77076; DSSTox_GSID_23550; Lopac0_001051; BSPBio_000903; KBioGR_002361; KBioSS_002364; BIDD:ER0216; BIDD:GT0795; SPBio_002824; BPBio1_000995; GTPL2820; DTXSID3023550; BDBM19441; KBio2_002361; KBio2_004929; KBio2_007497; KBio3_002840; cid_11071264; cMAP_000032; HMS2089F06; HMS3742O11; ZINC538275; BCP09772; Tox21_202603; MFCD00866415; NSC747974; NSC761389; s5781; AKOS015896267; AC-8399; CCG-205128; DB00481; MCULE-4598311006; NSC 747974; NSC-761389; SDCCGSBI-0051021.P003; [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone; MRF-0000684; SMP2_000095; NCGC00015889-01; NCGC00015889-02; NCGC00015889-04; NCGC00015889-06; NCGC00015889-07; NCGC00015889-08; NCGC00015889-10; NCGC00015889-22; NCGC00092353-02; NCGC00092353-04; NCGC00260151-01; [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone; AS-35086; HY-13738; J22.982B; SBI-0051021.P002; CAS-84449-90-1; CS-0007764; FT-0674305; VU0155042-3; C07228; D08465; 449R901; A916152; Q425223; BRD-K63828191-003-11-5; 6-hydroxy-2-(4-hydoxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene; 6-hydroxy-2-(4-hydoxyphenyl)-3[-4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene; 6-Hydroxy-2-(4-Hydroxyphenyl)-3-[4(2-Piperidinoethoxy)benzoyl]benzo[b]thiophene; 6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]-thiophene; 6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene; 6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2piperidinoethoxy)-benzoyl]benzo[b]thiophene; 6-hydroxy-2-(4-hydroxyphenyl)-3[-4-(2-piperidinoethoxy)benzoyl]benzo [b]thiophene; 6-hydroxy-2-(4-hydroxyphenyl)-3[-4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene; 6-hydroxy-2-(4-hydroxyphenyl)-3[-4-(2piperidinoethoxy)benzoyl]benzo[b]thiophene; 6-hydroxy-2-(4-hyroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene; [2-(4-Hydroxyphenyl)-6-hydroxybenzo[b]thien-3-yl] [4-[2-(1-piperidinyl)ethoxy]phenyl]methanone; Raloxifeno; [6-Hydroxy-2-(4-hydroxy-phenyl)-benzo[b]thiophen-3-yl]-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-methanone; [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone; [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone; [6-hydroxy-2-(4-hydroxyphenyl)benzo-[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone; [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl]methanone; [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl]-[4-[2-(1piperidinyl)ethoxy]phenyl]methanone; 1020061-04-4; 6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl 4-[2-(1-piperidinyl)ethoxy]phenyl methanone"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8772	DB00481	DR01347	DR1388	473.6	C28H27NO4S	98.2	655	6.1	34	2	6	7	"1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2"	C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O	GZUITABIAKMVPG-UHFFFAOYSA-N
DG00806	Salsalate	5161	"Salsalate; 552-94-3; sasapyrine; Salicylsalicylic acid; Disalicylic acid; Disalcid; 2-Carboxyphenyl salicylate; Sasapyrinum; Saloxium; Salicyloylsalicylic acid; Diacesal; Diplosal; Sasapirin; Sasapyrin; Disalyl; Nobacid; Salical; Salina; Salysal; o-Salicylsalicylic acid; Sal Ester Sal; 2-(2-hydroxybenzoyl)oxybenzoic acid; Disalicylsaeure; Salicylic acid, salicylate; Benzoic acid, 2-hydroxy-, 2-carboxyphenyl ester; Salsalato; Salsalatum; Salflex; Salsalatum [INN-Latin]; NSC-49171; Salicylic acid, bimolecular ester; Salicyloxysalicylic acid; 2-((2-Hydroxybenzoyl)oxy)benzoic acid; O-Salicylcylsalicylsaeure; UNII-V9MO595C9I; 2-Hydroxybenzoic acid 2-carboxyphenyl ester; MFCD00020252; Salicylsalicylic acid;Disalicylic acid; CHEBI:9014; V9MO595C9I; Salicylic acid bimolecular ester; NSC49171; NCGC00096014-01; DSSTox_CID_3572; DSSTox_RID_77088; DSSTox_GSID_23572; Salsalato [INN-Spanish]; Mono-gesic; O-Salicyloylsalicylic Acid; Disalicylic acid;; Disalcid (TN); CAS-552-94-3; Sasapyrine (JAN); Salsalate (USP/INN); EINECS 209-027-4; NSC 49171; 2-Salicyloyloxybenzoic Acid; BRN 2590908; Disalgesic; Salicylsalicylic Acid (2-[(2-Hydroxybenzoyl)oxy]benzoic Acid); Disalicyclic acid; Salsalate [USAN:USP:INN:BAN]; Aspirin Impurity E; 2-(2-hydroxybenzoyloxy)benzoic acid; Spectrum_001998; 2-Salicylsalicylic acid; Carboxyphenyl Salicylate ; Spectrum2_000693; Spectrum3_000173; Spectrum4_000940; Spectrum5_000670; 2-{[(2-hydroxyphenyl)carbonyl]oxy}benzoic acid; 2-salicyloyloxy-benzoic acid; SCHEMBL15562; BSPBio_001665; KBioGR_001500; KBioSS_002572; SPECTRUM200331; SPBio_000845; Acetylsalicylic Acid Impurity E; CHEMBL154111; ZINC2062; DTXSID1023572; Salsalate, >=98% (HPLC); BDBM85244; KBio2_002563; KBio2_005131; KBio2_007699; KBio3_001165; HMS2091A05; HMS3652P07; HMS3885J09; Pharmakon1600-00200331; HY-B1245; NSC_5161; Benzoic acid, 2-carboxyphenyl ester; Tox21_111548; CCG-39652; NSC755823; s4188; Salicylic Acid 2-Carboxyphenyl Ester; AKOS003368478; Tox21_111548_1; 2-Carboxyphenyl salicylate, AldrichCPR; CS-4891; DB01399; MCULE-7200376848; NSC-755823; NCGC00096014-02; NCGC00096014-03; AC-18298; AS-12645; CAS_552-94-3; 2-[(2-Hydroxybenzoyl)oxy]benzoic acid #; SBI-0206687.P002; DB-020760; FT-0632376; SW219189-1; 2-[(2-hydroxyphenyl)carbonyloxy]benzoic acid; C75590; D00428; AB01563259_01; AB01563259_02; A830578; SR-05000001536; Q-100630; Q1320691; SR-05000001536-1; 2-[(2-Hydroxybenzoyl)oxy]benzoic Acid (Salicylsalicylic Acid); Salsalate, United States Pharmacopeia (USP) Reference Standard; Aspirin Impurity E; 2-Hydroxybenzoic Acid 2-Carboxyphenyl Ester; Salicylic Acid Salicylate; 2-Hydroxybenzoic Acid 2-Carboxyphenyl Ester; Salsalate (Aspirin Impurity E), Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9014	DB01399	.	.	258.23	C14H10O5	83.8	341	3	19	2	5	4	"1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)"	C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O	WVYADZUPLLSGPU-UHFFFAOYSA-N
DG00812	Sulfamethazine	5327	"Sulfamethazine; Sulfadimidine; 57-68-1; Sulfamezathine; Sulphamethazine; Sulfadimethyldiazine; Sulfadimerazine; 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide; Sulfadimethylpyrimidine; Sulphamezathine; Sulfadimezine; Sulfadimidin; Sulphadimidine; Sulphadimethylpyrimidine; Sulfadimesin; Sulfadimesine; Sulfadimezin; Sulfadimidinum; Sulfametazyny; Sulfamethiazine; Sulphamethasine; Sulphamidine; Sulphodimezine; Sulfadine; Cremomethazine; Sulfadimidina; Sulfametazina; Sulfodimezine; Azolmetazin; Dimezathine; Intradine; Kelametazine; Pirmazin; Spanbolet; Sulfodimesin; Superseptil; Superseptyl; Vertolan; Diazil; Mermeth; Neasina; Neazina; Sulfa-Isodimerazine; Dimidin-R; Hava-Span; Calfspan Tablets; Sa III; 4,6-Dimethyl-2-sulfanilamidopyrimidine; 4-Amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide; 2-Sulfanilamido-4,6-dimethylpyrimidine; SulfaSURE SR Bolus; N-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide; 4,6-Dimethylsulfadiazine; Sulfamidine; Diazil (the sulfanilamide); Primazin; 2-(p-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine; Benzenesulfonamide, 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)-; 4-Amino-N-(2,6-dimethyl-4-pyrimidinyl)benzenesulfonamide; A-502; 6-(4'-Aminobenzol-sulfonamido)-2,4-dimethylpyrimidin; N(1)-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide; NCI-C56600; N(1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide; Sulmet; Sulfadimidine;Sulfadimerazine; (p-Aminobenzolsulfonyl)-2-amino-4,6-dimethylpyrimidin; Sulfamethazine (USP); Sulfamethazine [USP]; UNII-48U51W007F; 2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine; CHEBI:102265; Sulfadimezinum; MFCD00006066; Sulfanilamide, N(sup1)-(4,6-dimethyl-2-pyrimidinyl)-; MLS000069711; 4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)-benzenesulfonamide; Solfadimidina; n(sup1)-(2,6-Dimethylpyrimid-4-yl)sulfanilamide; N(Sup1)-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide; NSC67457; Sulfadimidine-d4; Sulfanilamide, N1-(4,6-dimethyl-2-pyrimidinyl)-; Sulka S Boluses; N(Sup1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide; NSC-67457; NSC683529; 48U51W007F; NSC-683529; NCGC00018243-07; SMR000017409; Solfadimidina [DCIT]; Sulfametazyny [Polish]; DSSTox_CID_1290; DSSTox_RID_76062; DSSTox_GSID_21290; SMZ; Sulfadimidinum [INN-Latin]; Sulfadimidina [INN-Spanish]; Sulfametazina [Italian]; Sulfadimidine [INN:BAN]; CAS-57-68-1; BN 2409; CCRIS 3701; Sulfamezathine (TN); Sulfadimidine (INN); HSDB 4157; EINECS 200-346-4; NSC 67457; BRN 0261304; N(sup 1)-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide; sulfamethazone; Diazilsulfadine; N(sup 1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide; Calfspan; Panazin; AI3-26817; Sulka k boluses; S-Dimidine; Dimidim-R; 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzene-1-sulfonamide; (p-Aminobenzolsulfonyl)-2-amino-4,6-dimethylpyrimidin [German]; 6-(4'-Aminobenzol-sulfonamido)-2,4-dimethylpyrimidin [German]; Sulfadimidine,(S); Sulfanilamide, N(1)-(4,6-dimethyl-2-pyrimidinyl)-; Sulfadimidine-13C6; 4-Amino-N-(4,6-dimethyl-2-pyrimidyl)benzenesulfonamide; Sulfanilamide, N(sup1)-(2,6-dimethyl-4-pyrimidinyl)-; Sentry aq mardel biospheres maracyn plus; Spectrum_000990; [(4-Aminophenyl)sulfonyl](4,6-dimethylpyrimidin-2-yl)amine; 4-amino-N-(4; Opera_ID_1374; Prestwick0_000775; Prestwick1_000775; Prestwick2_000775; Prestwick3_000775; Spectrum2_001321; Spectrum3_001700; Spectrum4_000344; Spectrum5_001270; Sulfamethazine, >=99%; CHEMBL446; Epitope ID:122238; Cambridge id 5251384; NCIOpen2_003489; BIDD:PXR0093; Oprea1_142608; Oprea1_677935; BSPBio_000850; BSPBio_003260; CBDivE_012932; KBioGR_000747; KBioSS_001470; 5-25-10-00250 (Beilstein Handbook Reference); MLS000103403; MLS001077331; MLS002454449; DivK1c_000293; SCHEMBL151305; SPECTRUM1500548; SPBio_001441; SPBio_002789; BPBio1_000936; DTXSID6021290; Sulfanilamide, N(sup 1)-(4,6-dimethyl-2-pyrimidinyl)-; ASWVTGNCAZCNNR-UHFFFAOYSA-; HMS500O15; KBio1_000293; KBio2_001470; KBio2_004038; KBio2_006606; KBio3_002480; ZINC57494; NINDS_000293; HMS1921A17; HMS2092I19; HMS3652K03; Pharmakon1600-01500548; ALBB-033473; BCP28439; HY-B0035; Tox21_110847; Tox21_202221; Tox21_303006; CCG-39259; NSC757326; s3133; STK097514; AKOS000119894; Tox21_110847_1; BN-2409; DB01582; MCULE-7831442410; MS-1576; NSC-757326; IDI1_000293; NCGC00018243-01; NCGC00018243-02; NCGC00018243-03; NCGC00018243-04; NCGC00018243-05; NCGC00018243-06; NCGC00018243-08; NCGC00018243-09; NCGC00021490-03; NCGC00021490-04; NCGC00021490-05; NCGC00021490-06; NCGC00256371-01; NCGC00259770-01; Sulfadimidine solution, 1 mg/mL in H2O; WLN: T6N CNJ BMSWR DZ& D1 F1; AC-16126; H462; Sulfanilamide,6-dimethyl-4-pyrimidinyl)-; SBI-0051522.P003; SULFAMETHAZINE (TRISULFAPYRIMIDINES); FT-0655603; FT-0674743; N1-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide; SW219689-1; Benzenesulfonamide,6-dimethyl-4-pyrimidinyl)-; Sulfamethazine 100 microg/mL in Acetonitrile; C19530; D02436; N1-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide; AB00052097_12; AB00052097_13; A831551; SR-01000000211; Sulfamethazine, Vetec(TM) reagent grade, >=99%; Sulfamethazine, VETRANAL(TM), analytical standard; Q3976823; SR-01000000211-3; W-105450; 4-amino-N-(4,6-dimethyl-2-pyridyl)benzenesulfonamide; BRD-K11640013-001-02-6; BRD-K11640013-236-03-6; 2-(4-Aminobenzenesulfonylamino)-4,6-dimethylpyrimidine; F1443-4796; N(1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide sulfadimidine; Sulfadimidine, European Pharmacopoeia (EP) Reference Standard; (4-AMINO-N-(4,6-DIMETHYL-2-PYRIMIDINYL)BENZENE SULFONAMIDE; 4-amino-N~1~-(4,6-dimethyl-2-pyrimidinyl)-1-benzenesulfonamide; HSDB 4157; HSDB 4157; HSDB 4157;Sulfadimidine;Sulfadimerazine; Sulfamethazine, United States Pharmacopeia (USP) Reference Standard; Sulfadimidine for peak identification, European Pharmacopoeia (EP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:102265	DB01582	DR01210	.	278.33	C12H14N4O2S	106	377	0.3	19	2	6	3	"1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)"	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C	ASWVTGNCAZCNNR-UHFFFAOYSA-N
DG00813	Sulfaphenazole	5335	"Sulfaphenazole; 526-08-9; Sulphaphenazole; Sulfabid; Plisulfan; Raziosulfa; Sulfaphenazol; Sulfaphenazon; Depocid; 4-Amino-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide; Depotsulfonamide; Sulfafenazol; Sulphenazole; Sulfaphenylpyrazole; Sulfaphenylpipazol; Sulfaphenazolum; Merian; Sulfafenazolo; Eftolon; Firmazolo; Paidazolo; Inamil; Isarol; Orisul; 1-Phenyl-5-sulfanilamidopyrazole; 5-Sulfanilamido-1-phenylpyrazole; Microtan pirazolo; N'-(1-Phenylpyrazol-5-yl)sulfanilamide; Sulfafenazolo [Italian]; 3-(p-Aminobenzenesulfonamido)-2-phenylpyrazole; Sulfafenazol [INN-Spanish]; Sulfaphenazol [INN-French]; Sulfaphenazolum [INN-Latin]; Benzenesulfonamide, 4-amino-N-(1-phenyl-1H-pyrazol-5-yl)-; 4-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide; UNII-0J8L4V3F81; N1-(1-Phenylpyrazol-5-yl)sulfanilamide; 4-amino-N-(1-phenyl-1H-pyrazol-5-yl)benzene-1-sulfonamide; CHEMBL1109; N(1)-(1-Phenylpyrazol-5-yl)sulfanilamide; CHEBI:77780; 0J8L4V3F81; Sulfaphenylpyrazol; Phenylsulfapyrazole; MFCD00057226; NSC-757859; NCGC00015925-02; Solfafenazolo; CAS-526-08-9; Solfafenazolo [DCIT]; DSSTox_CID_24131; DSSTox_RID_80106; DSSTox_GSID_44131; Orisulf; Isarol V; SMR000326684; Prestwick_454; SR-01000075649; N(sup 1)-(1-Phenylpyrazol-5-yl)sulfanilamide; EINECS 208-384-3; Lopac-S-0758; Sulfaphenazole (JAN/INN); BRN 0308518; Sulfonylpyrazol; Sulfaphenazole [INN:BAN:JAN]; Sulfabid (TN); Spectrum_001406; Prestwick0_000021; Prestwick1_000021; Prestwick2_000021; Prestwick3_000021; Spectrum2_001943; Spectrum3_001741; Spectrum4_000443; Spectrum5_001185; Sulfaphenazole, >=98%; Sulfanilamide, N1-(1-phenylpyrazol-5-yl)-; Lopac0_001095; BSPBio_000081; BSPBio_003442; KBioGR_000826; KBioSS_001886; 5-25-09-00415 (Beilstein Handbook Reference); MLS000859612; MLS001056713; DivK1c_000303; SCHEMBL122040; SPECTRUM1501143; SPBio_002002; SPBio_002005; BPBio1_000091; DTXSID2044131; GTPL11352; HMS500P05; KBio1_000303; KBio2_001886; KBio2_004454; KBio2_007022; KBio3_002662; ZINC57490; 4-Amino-N-(1-phenyl-1H-pyrazol-5-yl)-benzenesulfonamide; 4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide; Sulfanilamide, N(sup 1)-(1-phenylpyrazol-5-yl)- (8CI); NINDS_000303; HMS1568E03; HMS1921J13; HMS2095E03; HMS2235J21; HMS3263K12; HMS3373E16; HMS3712E03; Pharmakon1600-01501143; Sulfaphenazole, >=98% (HPLC); ALBB-025160; BCP27626; HY-B1218; STR05485; Tox21_110262; Tox21_501095; BDBM50090677; CCG-39431; NSC757859; Pyrazole, 1-phenyl-5-sulfanilamido-; s3673; STK663863; AKOS003348743; Tox21_110262_1; CS-4843; DB06729; LP01095; MCULE-5658431414; NSC 757859; SDCCGSBI-0051065.P004; IDI1_000303; NCGC00015925-01; NCGC00015925-03; NCGC00015925-04; NCGC00015925-05; NCGC00015925-06; NCGC00015925-07; NCGC00015925-08; NCGC00015925-09; NCGC00015925-10; NCGC00015925-12; NCGC00015925-13; NCGC00015925-17; NCGC00094368-01; NCGC00094368-02; NCGC00094368-03; NCGC00094368-04; NCGC00094368-05; NCGC00261780-01; SBI-0051065.P003; AB00052218; EU-0101095; FT-0761575; Z3406; Sulfaphenazole 100 microg/mL in Acetonitrile; BIM-0051065.0001; D01954; D70410; S 0758; AB00052218_10; Q6577293; SR-01000075649-2; SR-01000075649-7; SR-01000075649-8; SR-01000075649-9; BRD-K10671814-001-05-6; BRD-K10671814-001-09-8; 4-amino-N-(1-phenyl-1H-pyrazol-5-yl)-1-benzenesulfonamide; BRN-0308518; BRN0308518; BRN 0308518;Sulfabid;Sulfaphenylpyrazol;Sulphaphenazole"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:77780	DB06729	DR01009	.	314.4	C15H14N4O2S	98.4	451	1.5	22	2	5	4	"1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2"	C1=CC=C(C=C1)N2C(=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)N	QWCJHSGMANYXCW-UHFFFAOYSA-N
DG00816	Sulfisoxazole	5344	"Sulfisoxazole; Sulfafurazole; 127-69-5; Sulphafurazole; Sulfisoxazol; Sulfafurazol; Sulfaisoxazole; Sulfofurazole; Sulfisoxasole; Sulphaisoxazole; Gantrisin; Sulfadimethylisoxazole; Alphazole; Amidoxal; Sulfalar; Sulfoxol; Sulfisoxazole dialamine; Sulphafurazolum; Renosulfan; Sulfasoxazole; Sulfisonazole; Accuzole; Soxomide; Sulfazin; Sulfizin; Sulsoxin; Sosol; Roxosul tablets; Sulphafurazol; Sulphisoxazol; Sulphofurazole; Chemouag; Cosoxazole; Gantrisona; Gantrosan; Isoxamin; Neazolin; Neoxazol; Sulfagan; Sulfasol; Uritrisin; Entusil; Entusul; Pancid; Soxisol; Stansin; Sulbio; Thiasin; Unisulf; Sulphadimethylisoxazole; Norilgan-S; Tl-azole; V-Sul; SK-Soxazole; 4-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide; Sulfafurazolum; Sulphisoxazole; Dorsulfan; Gantrisine; Novazolo; Novosaxazole; Saxosozine; Sodizole; Soxamide; Soxazole; Soxitabs; Sulfapolar; Sulfisin; Sulfizol; Sulfizole; Urisoxin; Roxosul; Urogan; Vagilia; Azo Gantrisin; Dorsulfan warthausen; Koro-sulf; SOXO; J-Sul; 3,4-Dimethyl-5-sulfonamidoisoxazole; 3,4-Dimethyl-5-sulfanilamidoisoxazole; 5-Sulfanilamido-3,4-dimethylisoxazole; Benzenesulfonamide, 4-amino-N-(3,4-dimethyl-5-isoxazolyl)-; 4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide; 3,4-Dimethyl-5-sulphonamidoisoxazole; 3,4-Dimethylisoxazole-5-sulfanilamide; G-sox; 3,4-Dimethyl-5-sulphanilamidoisoxazole; 3,4-Dimethylisoxazole-5-sulphanilamide; 5-Sulphanilamido-3,4-dimethyl-isoxazole; 5-(4-Aminophenylsulfonamido)-3,4-dimethylisoxazole; 5-(p-Aminobenzenesulfonamido)-3,4-dimethylisoxazole; 5-(p-Aminobenzenesulphonamido)-3,4-dimethylisoxazole; N1-(3,4-Dimethyl-5-isoxazolyl)sulfanilamide; N'-(3,4)Dimethylisoxazol-5-yl-sulphanilamide; NCI-C50022; ERYZOLE; NU 445; Pediazole; U.S.-67; C11H13N3O3S; 4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulphonamide; 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide; Sulfafurazole (INN); N(Sup1)-(3,4-Dimethyl-5-isoxazolyl)sulfanilamide; UNII-740T4C525W; CHEBI:102484; Gantrisin (TN); Sulfisoxazolum; component of Azo-Sulfizin; MFCD00003150; component of Azo Gantrisin; CHEMBL453; N(sup 1)-(3,4-Dimethyl-5-isoxazolyl)sulphanilamide; 4-amino-N-(dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide; NSC13120; 3,4-Dimethylisoxale-5-sulfanilamide; NSC-13120; NSC683536; Sulfafurazole [INN]; 740T4C525W; NSC-683536; Sulfazin (VAN); NCGC00016384-03; NCGC00016384-10; Azosulfizin; Solfafurazolo; Sulphafuraz; 4-Amino-N-(3,4-dimethyl-isoxazol-5-yl)-benzenesulfonamide; Astrazolo; Bactesulf; Barazae; CAS-127-69-5; Resoxol; Roxoxol; Sulfagen; Suloxsol; Ganda; 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide; Solfafurazolo [DCIT]; DSSTox_CID_1292; NU-445; N(1)-(3,4-dimethyl-5-isoxazolyl)sulfanilamide; DSSTox_RID_76064; DSSTox_GSID_21292; N(1)-(3,4-dimethyl-5-isoxazolyl)sulphanilamide; 5-(p-Aminobenzenesulfonamido)-3,4-dimethylisooxale; Sulfafurazolum [INN-Latin]; WLN: T5NOJ CMSWR DZ& D1 E1; Sulfanilamide,4-dimethyl-5-isoxazolyl)-; SMR000037657; CCRIS 568; HSDB 797; Benzenesulfonamide,4-dimethyl-5-isoxazolyl)-; N1-(3,4-dimethylisoxazole-5-yl)sulfanilamide; SR-01000003085; EINECS 204-858-9; NSC 13120; Sulfisoxazole [USP:JAN]; NSC 683536; BRN 0263871; Gantrizin; AI3-24003; Component of Azo Gantrisin Accuzole; Prestwick_726; N(sup 1)-(3,4-Dimethyl-5-isoxazolyl)sulfanilamide; Spectrum_001024; Tocris-0731; Prestwick0_000334; Prestwick1_000334; Prestwick2_000334; Prestwick3_000334; Spectrum2_001325; Spectrum3_001728; Spectrum4_000349; Spectrum5_001222; Azo-Sulfizin (Salt/Mix); Azo Gantrisin (Salt/Mix); Epitope ID:122240; Sulfisoxazole (JP17/USP); Sulfisoxazole, >=99.0%; Oprea1_680668; Oprea1_828173; SCHEMBL23467; Sulfanilamide, N1-(3,4-dimethyl-5-isoxazolyl)-; BSPBio_000367; BSPBio_003376; KBioGR_000757; KBioSS_001504; 4-27-00-04747 (Beilstein Handbook Reference); MLS000028495; MLS000037737; MLS000563718; BIDD:GT0322; DivK1c_000579; SPECTRUM1500555; SPBio_001449; SPBio_002288; BPBio1_000405; DTXSID6021292; Sulfanilamide, N(sup 1)-(3,4-dimethyl-5-isoxazolyl)-; HMS501M21; KBio1_000579; KBio2_001504; KBio2_004072; KBio2_006640; KBio3_002596; [(4-aminophenyl)sulfonyl](3,4-dimethylisoxazol-5-yl)amine; 4-amino-N-(3,4-dimethylisoxazol-5-yl)-benzenesulfonamide; NINDS_000579; HMS1569C09; HMS2092K13; HMS2096C09; HMS2233G23; HMS3259C06; HMS3266N17; HMS3374K11; HMS3411F03; HMS3655B03; HMS3675F03; HMS3713C09; NU445; Pharmakon1600-01500555; ALBB-014131; HY-B0323; NSC33807; NSC38588; STR04988; Tox21_110409; Tox21_112958; Tox21_202265; Tox21_302851; BDBM50034452; CCG-39263; NSC-33807; NSC-38588; NSC757343; s1916; STK400452; ZINC96006009; AKOS000119074; AKOS000310021; Tox21_110409_1; AC-1941; DB00263; MCULE-3522661051; NC00536; NSC-757343; IDI1_000579; NCGC00016384-01; NCGC00016384-02; NCGC00016384-04; NCGC00016384-05; NCGC00016384-06; NCGC00016384-07; NCGC00016384-08; NCGC00016384-09; NCGC00016384-11; NCGC00016384-12; NCGC00016384-14; NCGC00016384-15; NCGC00023116-02; NCGC00023116-05; NCGC00023116-06; NCGC00023116-07; NCGC00023116-08; NCGC00256605-01; NCGC00259814-01; R536; SBI-0051529.P003; DB-041869; UPCMLD00X127-69-5:001; AB00052104; BB 0259593; FT-0631743; SW196872-3; U0098; C07318; D00450; H10712; J10241; N1-(3,4-Dimethyl-5-isoxazolyl)sulphanilamide; AB00052104-14; AB00052104_15; AB00052104_16; Q372598; Sulfisoxazole, VETRANAL(TM), analytical standard; 5-(4-Aminophenylsulphonamido)-3,4-dimethylisoxazole; J-005528; SR-01000003085-2; SR-01000003085-5; SR-01000003085-6; 5-(p-Aminobenzenesulphonamide)-3,4-dimethylisoxazole; BRD-K50859149-001-05-4; BRD-K50859149-001-10-4; Sulfanilamide, N(sup1)-(3,4-dimethyl-5-isoxazolyl)-; Sulfanilamide, N.sup1.-(3,4-dimethyl-5-isoxazolyl)-; F0848-0391; 4-amino-N-(3,4-dimethyl-5-isoxazolyl)benzene-sulfonamide; 4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide #; Sulfafurazole, European Pharmacopoeia (EP) Reference Standard; Sulfisoxazole, United States Pharmacopeia (USP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:102484	DB00263	.	DR1510	267.31	C11H13N3O3S	107	374	1	18	2	6	3	"1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3"	CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N	NHUHCSRWZMLRLA-UHFFFAOYSA-N
DG00819	Tazarotene	5381	"Tazarotene; 118292-40-3; Tazorac; Zorac; Ethyl 6-((4,4-dimethylthiochroman-6-yl)ethynyl)nicotinate; Avage; AGN-190168; Fabior; AGN 190168; Tazarotene (Avage); UNII-81BDR9Y8PS; C21H21NO2S; 81BDR9Y8PS; CHEMBL1657; ethyl 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate; CHEBI:32184; ethyl 6-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)ethynyl]pyridine-3-carboxylate; NCGC00167525-01; ethyl 6-[(4,4-dimethyl-3,4-dihydro-2H-thiochromen-6-yl)ethynyl]nicotinate; DSSTox_CID_26691; DSSTox_RID_81825; DSSTox_GSID_46691; tazaroteno; tazarotenum; Suretin; Tazoral; Zora; 6-(4,4-Dimethyl-thiochroman-6-ylethynyl)-nicotinic acid ethyl ester; Ethyl 6-((4,4-dimethylthiochroman-6-yl)ethynyl)nicotinate;6-(4,4-dimethyl-thiochroman-6-ylethynyl)-nicotinic acid ethyl ester; Tazorac (TN); Avage (TN); CAS-118292-40-3; Acnitaz; ethyl 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]pyridine-3-carboxylate; ethyl 6-(2-(4,4-dimethylthiochroman-6-yl)-ethynyl)nicotinate; Ethyl 6-[2-(4,4-dimethylthiochroman-6-yl)-ethynyl]nicotinate; Tazarotene (JAN/USAN/INN); Tazarotene [USAN:INN:BAN]; Zorac; ; ; Tazorac; Tazarotene,(S); Tazarotene- Bio-X; Fabior (TN); 3-Pyridinecarboxylic acid, 6-((3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl)-, ethyl ester; SCHEMBL3134; Idp-123; MLS003915630; BIDD:GT0293; GTPL6952; DTXSID5046691; HMS3655K05; HMS3747C19; HMS3747E19; ACT06773; AMY31169; BCP22966; ethyl 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl] nicotinate; ZINC1542199; Tox21 112522; Tox21_112522; AC-755; BDBM50265951; MFCD00867628; s1569; AKOS015902872; Tox21_112522_1; BS-1012; CCG-268046; CS-1029; DB00799; NCGC00167525-02; NCGC00167525-03; 6-[(3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid ethyl ester; BT164442; HY-15388; SMR002096194; BCP0726000163; DB-014992; FT-0652578; SW220026-1; T3108; AGN190168, AGN-190168; D01132; AB01274801-01; AB01274801_02; 292T403; A846572; SR-01000931253; Q-102516; Q3981685; SR-01000931253-2; Ethyl 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]nicotinate; 6-(4,4-dimethylthiochroman-6-ylethynyl) nicotinic acid ethyl ester; (+/-)OCTAHYDROCYCLOPENTA[B]PYRROLE-2-CARBOXYLICACIDHYDROCHLORIDE; 6-(2-(4,4-dimethyl-thiochroman-6yl)ethynyl)-nicotinic acid ethyl ester; Ethyl 6-[(4,4-dimethyl-3,4-dihydro-2H-thiochromen-6-yl)ethynyl]pyridine-3-carboxylate; 6-[2-(3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]- 3-pyridinecarboxylic Acid Ethyl Ester; 6-[2-(3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid ethyl ester; 6-[2-(3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylicacidethylester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32184	DB00799	.	DR1536	351.5	C21H21NO2S	64.5	547	4.9	25	0	4	5	"1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3"	CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C	OGQICQVSFDPSEI-UHFFFAOYSA-N
DG00824	Tiapride	5467	"Tiapride; 51012-32-9; Thiapride; N-(2-(Diethylamino)ethyl)-2-methoxy-5-(methylsulfonyl)benzamide; UNII-LAH70H9JPH; Thiapride; Tiapride; N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide; LAH70H9JPH; Benzamide, N-[2-(diethylamino)ethyl]-2-methoxy-5-(methylsulfonyl)-; BENZAMIDE, N-(2-(DIETHYLAMINO)ETHYL)-2-METHOXY-5-(METHYLSULFONYL)-; Tiaprida; Tiapridum; Tiapridum [INN-Latin]; Tiaprida [INN-Spanish]; FLO 1347; Tiapride [INN:BAN:DCF]; NSC-758225; NCGC00015996-02; EINECS 256-907-9; CAS-51012-33-0; BRN 2390588; Tiapridal (TN); Tiapride (INN); Spectrum_001354; Prestwick0_000216; Prestwick1_000216; Prestwick2_000216; Prestwick3_000216; Spectrum2_001521; Spectrum3_001556; Spectrum4_000778; Spectrum5_001048; Lopac-T-0410; Lopac0_001124; SCHEMBL34750; BSPBio_000231; BSPBio_003032; KBioGR_001196; KBioSS_001834; CHEMBL84158; DivK1c_000738; SPBio_001302; SPBio_002152; BPBio1_000255; DTXSID0023664; BDBM82073; CHEBI:94666; JTVPZMFULRWINT-UHFFFAOYSA-; KBio1_000738; KBio2_001834; KBio2_004402; KBio2_006970; KBio3_002532; N-(2-(Diethylamino)ethyl)-5-(methylsulfonyl)-o-anisamide; NINDS_000738; NSC_5467; ZINC1542927; AKOS015888370; CCG-205199; DB13025; MCULE-5546780960; NSC 758225; SDCCGSBI-0051092.P004; IDI1_000738; NCGC00015996-01; NCGC00015996-03; NCGC00015996-04; NCGC00015996-05; NCGC00015996-06; NCGC00015996-07; NCGC00015996-14; NCGC00024353-03; AC-12185; SBI-0051092.P003; CAS_51012-32-9; AB00053640; D08590; AB00053640_12; 012T329; L001185; Q416414; BRD-K57432881-003-05-1; BRD-K57432881-003-14-3; N-(2-Diethylaminoethyl)-2-Methoxy-5-Methylsulfonyl-Benzamide; N-(DIETHYLAMINOETHYL) 2-METHOXY 5-METHYLSULFONYLBENZAMIDE; diethyl-[2-[(2-methoxy-5-methylsulfonylbenzoyl)amino]ethyl]azanium chloride; N-[2-(diethylamino)ethyl]-2-(methyloxy)-5-(methylsulfonyl)benzamide; N-[2-(diethylamino)ethyl]-5-methanesulfonyl-2-methoxybenzene-1-carboximidic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94666	DB13025	.	.	328.4	C15H24N2O4S	84.1	443	0.9	22	1	5	8	"1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)"	CCN(CC)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)OC	JTVPZMFULRWINT-UHFFFAOYSA-N
DG00831	Tropicamide	5593	"Tropicamide; 1508-75-4; Mydriacyl; Mydriaticum; Bistropamide; N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide; Tropicamidum; Visumidriatic; Ro 1-7683; N-Ethyl-2-phenyl-N-(4-pyridylmethyl)hydracrylamide; Mydriafair; Tropicacyl; Minims tropicamide; Epitromina; Tropikamid; Mydrum; Tropimil; MFCD00058580; NSC-757372; NCGC00016065-07; Tropicamida; Benzeneacetamide, N-ethyl-.alpha.-(hydroxymethyl)-N-(4-pyridinylmethyl)-; DSSTox_CID_25220; DSSTox_RID_80757; DSSTox_GSID_45220; Tropicamidum [INN-Latin]; Tropicamida [INN-Spanish]; Tropicamid; Mydriacyl (TN); N-Ethyl-N-(4-pyridylmethyl)tropamid; N-Ethyl-N-(4-pyridylmethyl)tropamide; SMR000058523; SR-01000075351; EINECS 216-140-2; N-Ethyl-alpha-(hydroxymethyl)-N-(4-pyridinylmethyl)benzeneacetamide; BRN 0285563; Tropicamide, solid; Benzeneacetamide, N-ethyl-alpha-(hydroxymethyl)-N-(4-pyridinylmethyl)-; Prestwick_487; CAS-1508-75-4; component of Paremyd; Hydracrylamide, N-ethyl-2-phenyl-N-(4-pyridylmethyl)-; Tropicamide [USAN:USP:INN:BAN:JAN]; (+-)-N-Ethyl-2-phenyl-N-(4-pyridylmethyl)hydracrylamide; Spectrum_000584; Prestwick0_000228; Prestwick1_000228; Prestwick2_000228; Prestwick3_000228; Spectrum2_000936; Spectrum3_000655; Spectrum4_000377; Spectrum5_001585; T 9778; Lopac0_001223; SCHEMBL23975; BSPBio_000275; BSPBio_002289; KBioGR_000873; KBioSS_001064; 5-22-09-00359 (Beilstein Handbook Reference); MLS001306442; MLS002154240; DivK1c_000448; SPECTRUM1500599; SPBio_000872; SPBio_002196; BPBio1_000303; CHEBI:9757; GTPL7319; Tropicamide (JP17/USP/INN); CHEMBL1200604; DTXSID8045220; BDBM82371; HMS501G10; KBio1_000448; KBio2_001064; KBio2_003632; KBio2_006200; KBio3_001509; NINDS_000448; HMS1568N17; HMS1921I09; HMS2089M05; HMS2092A18; HMS2095N17; HMS2235J15; HMS3259M18; HMS3263F08; HMS3267A13; HMS3373B07; HMS3411F14; HMS3651K04; HMS3675F14; HMS3712N17; HMS3742C05; HMS3884E16; Pharmakon1600-01500599; BCP13504; HY-B0321; NSC_5593; Tox21_110297; Tox21_501223; AC-816; BBL028074; CCG-40076; NSC757372; s1913; STK934612; AKOS005664076; Tox21_110297_1; AM84467; DB00809; KS-5174; LP01223; MCULE-4102613027; NC00589; NSC 757372; SDCCGSBI-0051190.P004; Benzeneacetamide, N-ethyl-alpha-(hydroxymethyl)-N-(4-pyridinylmethyl)-, (+-)-; IDI1_000448; SMP1_000304; NCGC00016065-03; NCGC00016065-04; NCGC00016065-05; NCGC00016065-06; NCGC00016065-08; NCGC00016065-09; NCGC00016065-11; NCGC00016065-22; NCGC00024866-02; NCGC00024866-03; NCGC00024866-04; NCGC00024866-05; NCGC00024866-06; NCGC00261908-01; CAS_1508-75-4; SBI-0051190.P003; RO-1-7683; AB00052120; EU-0101223; FT-0657590; SW196691-3; T1470; C72868; D00397; Q29310; AB00052120-10; AB00052120_11; AB00052120_12; 508T754; L001262; Q-201902; SR-01000075351-1; SR-01000075351-3; SR-01000075351-5; SR-01000075351-7; BRD-A79672927-001-05-8; BRD-A79672927-001-10-8; Tropicamide, European Pharmacopoeia (EP) Reference Standard; N-Ethyl-3-hydroxy-2-phenyl-N-(4-pyridinylmethyl)propanamide #; Tropicamide, United States Pharmacopeia (USP) Reference Standard; Tropicamide for peak identification, European Pharmacopoeia (EP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9757	DB00809	.	.	284.35	C17H20N2O2	53.4	310	1.5	21	1	3	6	"1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3"	CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2	BGDKAVGWHJFAGW-UHFFFAOYSA-N
DG00839	L-alanine	5950	"L-alanine; alanine; 56-41-7; (S)-Alanine; L-alpha-alanine; L-2-Aminopropionic acid; (S)-2-Aminopropanoic acid; H-Ala-OH; (2S)-2-Aminopropanoic acid; L-(+)-Alanine; L-2-Aminopropanoic acid; 2-Aminopropionic acid; alpha-Alanine; L-alpha-Aminopropionic acid; alpha-Aminopropionic acid; L-2-Aminopropionsaeure; Alaninum [Latin]; (S)-(+)-Alanine; L-S-Aminopropionic acid; (L)-Alanine; Alanine (VAN); (S)-2-Aminopropionsaeure; Poly-L-alanine; 2-Aminopropanoic acid, L-; (S)-alpha-Aminopropionsaeure; Alanine [USAN:INN]; Alanina [DCIT,Spanish]; ALANINE, L-; L-Alanine, homopolymer; L-a-Aminopropionic acid; L-Alanin; Propanoic acid, 2-amino-, (S)-; HSDB 1801; (S)-2-Aminopropionic acid; NSC 206315; L-Alanine homopolymer; 25191-17-7; MFCD00064410; L-.alpha.-Aminopropionic acid; CHEMBL279597; CHEBI:16977; Alanine (L-Alanine); polyalanine; Alaninum; Poly-DL-alanine; L-a-Alanine; 14C-L-Alanine; a-Aminopropionic acid; (2S)-2-aminopropanoate; (C14)L-Alanine; .alpha.-Alanine; L-.alpha.-Alanine; L-&alpha-alanine; Alanine (USP); L-Alanine (9CI); 2-Ammoniopropanoate; Propanoic acid, 2-amino-; .alpha.-Aminopropionic acid; L-Alanine, labeled with carbon-14; EINECS 200-273-8; Ritalanine; Racemic alanine; L-aAlanine; a-Aminopropionate; L-Alanine, labeled with tritium; 3h-l-alanine; L-Alanine Powder; Propanoic acid, 2-amino-, (S); [3H]alanine; L-a-Aminopropionate; L-Ala; [14C]alanine; [3H]-alanine; alpha-Aminopropanoate; alpha-Aminopropionate; L-2-Aminopropanoate; L-2-Aminopropionate; L-Alanine,(S); [14C]-alanine; L-alpha-Aminopropionate; Tocris-0205; 2-Ammoniopropanoic acid; ALA-OH; starbld0003382; L-Alanine (JP17); (S)-2-Aminopropanoate; alpha-Aminopropanoic acid; L-Ala-2; (S)-2-amino-Propanoate; L-Alanine, >=99%; bmse000028; bmse000994; EC 200-273-8; L-CH3CH(NH2)COOH; GTPL720; (S)-2-amino-Propanoic acid; (2S)-2-azanylpropanoic acid; Alanine, L- (7CI,8CI); GTPL4542; GTPL4543; L-Alanine, Cell Culture Reagent; DTXSID20873899; L-Alanine, >=98% (TLC); L-Alanine, 99%, natural, FG; F4F207FF-8FF8-4789-99A1-147AE0A36673; HY-N0229; STR01663; ZINC4658553; L-Alanine, >=99.0% (NT); AC-014; BDBM50000099; s5631; (S)-2-aminopropanoic acid;H-Ala-OH; AKOS010367904; AKOS015840030; CCG-266017; CS-W020002; DB00160; MCULE-7791919887; L-Alanine, purum, >=98.0% (NT); NCGC00024494-01; AC-24031; BP-13281; L-Alanine, BioUltra, >=99.5% (NT); DB-029940; L-Alanine, SAJ special grade, >=99.0%; A0179; AM20100374; A15652; C00041; D00012; D84362; 064A410; A803529; Q218642; SR-01000597687; J-015860; Q-201274; SR-01000597687-3; L-Alanine, certified reference material, TraceCERT(R); Alanine, European Pharmacopoeia (EP) Reference Standard; F0001-2354; Z940713326; UNII-0O72R8RF8A component QNAYBMKLOCPYGJ-REOHCLBHSA-N; UNII-1FU7983T0U component QNAYBMKLOCPYGJ-REOHCLBHSA-N; UNII-OF5P57N2ZX component QNAYBMKLOCPYGJ-REOHCLBHSA-N; L-Alanine, United States Pharmacopeia (USP) Reference Standard; L-Alanine, Pharmaceutical Secondary Standard; Certified Reference Material; 115967-49-2; 77160-91-9; L-Alanine, from non-animal source, meets EP, USP testing specifications, suitable for cell culture, >=98.5%; L-Alanine, PharmaGrade, Ajinomoto, EP, JP, USP, manufactured under appropriate GMP controls for Pharma or Biopharmaceutical production, suitable for cell culture"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16977	.	DR00142	.	89.09	C3H7NO2	63.3	61.8	-3	6	2	3	1	"1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1"	C[C@@H](C(=O)O)N	QNAYBMKLOCPYGJ-REOHCLBHSA-N
DG00843	Cysteamine	6058	"CYSTEAMINE; 2-Aminoethanethiol; 60-23-1; Mercaptamine; Thioethanolamine; Becaptan; Mercamine; Cysteinamine; beta-Mercaptoethylamine; 2-Mercaptoethylamine; Cysteamin; Lambraten; Lambratene; beta-Aminoethanethiol; Cystagon; Riacon; Decarboxycysteine; Mercaptoethylamine; 2-Amino-1-ethanethiol; Ethanethiol, 2-amino-; Cisteamina; 2-Aminoethyl mercaptan; beta-Aminoethylthiol; 2-Mercaptoethanamine; Mercaptamin; (2-Mercaptoethyl)amine; MEA (mercaptan); Ethanethiolamine; 2-AMINO-ETHANETHIOL; beta-MEA; Aminoethyl mercaptan; Mercaptamina; Mercaptaminum; Cysteamide; Mecramine; Mercamin; Merkamin; Cisteamina [Italian]; Cystaran; Mercaptaminum [INN-Latin]; Mercaptamina [INN-Spanish]; 1-Amino-2-mercaptoethylamine; L-1573; Cysteamine (USAN); WR 347; 2-aminoethane-1-thiol; UNII-5UX2SD1KE2; b-Mercaptoethylamine; NSC 647528; Cysteamine [USAN]; Mercaptamine (INN); .beta.-Mercaptoethylamine; 5UX2SD1KE2; CHEBI:17141; 2-aminoethane-1-thiol; Cysteamine; Mercaptamine [INN]; NSC647528; NSC-647528; NCGC00015691-03; Cysteamine [USAN:BAN]; beta-Mercaptoethylamine;2-Aminoethanethiol;2-Mercaptoethylamine; C2H7NS; Cysteamine bitartate; CCRIS 3083; HSDB 7353; EINECS 200-463-0; L 1573; Cystagone; b-Aminoethylthiol; b-mea; b-Aminoethanethiol; mercapto ethylamine; DHL; MFCD00008196; 2-amino-ethyl thiol; CASH; .beta.-MEA; Cysteamine, ~95%; Cysteamine, free base; .beta.-Aminoethylthiol; Spectrum_001755; .beta.-Aminoethanethiol; SpecPlus_000654; Lopac-M-6500; DSSTox_CID_2875; bmse000388; CHEMBL602; C-9500; DSSTox_RID_76770; DSSTox_GSID_22875; KBioSS_002235; DivK1c_006750; BDBM7968; GTPL7440; 2,3-DESHYDROLANTHIONINE; DTXSID3022875; KBio1_001694; KBio2_002235; KBio2_004803; KBio2_007371; Cysteamine, >=98.0% (RT); BCP15015; ZINC8034121; Tox21_113092; HY-77591A; s6402; STK315355; AKOS003793343; CCG-204834; DB00847; MCULE-1838427828; SDCCGSBI-0050727.P004; CAS-60-23-1; NCGC00015691-01; NCGC00015691-02; NCGC00015691-04; NCGC00015691-14; NCGC00162236-01; NCGC00162236-02; AMY202100105; AS-56218; BP-13401; NCI60_002000; SBI-0050727.P003; DB-053562; A0648; FT-0611243; V0810; C01678; D03634; D88299; D88360; AB00053754_09; AB00053754_10; A832648; Cysteamine, 2-Mercaptoethylamine, Thioethanolamine; Q617563; F0001-1576; 2DFDA1F8-7010-4225-8280-AB1C4C43F546; 2-Aminoethanethiol;cysteamine, beta-Mercaptoethylamine, 2-Mercaptoethylamine, Decarboxycysteine, Thioethanolamine, Mercaptamine; 2-Mercaptoethylamine, polymer-bound, 70-90 mesh, extent of labeling: 0.6-1.1 mmol/g loading, 1 % cross-linked with divinylbenzene"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17141	DB00847	.	.	77.15	C2H7NS	27	10	-0.4	4	2	2	1	"1S/C2H7NS/c3-1-2-4/h4H,1-3H2"	C(CS)N	UFULAYFCSOUIOV-UHFFFAOYSA-N
DG00844	Methoxamine	6082	"Methoxamine; Methoxamin; Pseudomethoxamine; 390-28-3; Vasoxyl; 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol; Methoxamedrine; 2,5-Dimethoxynorephedrine; Metossamina; 2-Amino-1-(2,5-dimethoxyphenyl)-1-propanol; CHEMBL524; Benzenemethanol, alpha-(1-aminoethyl)-2,5-dimethoxy-; CHEBI:6839; alpha-(1-Aminoethyl)-2,5-dimethoxybenzyl alcohol; Benzenemethanol, .alpha.-(1-aminoethyl)-2,5-dimethoxy-; Benzyl alcohol, .alpha.-(1-aminoethyl)-2,5-dimethoxy-; Methoxamine (BAN); Benzyl alcohol, alpha-(1-aminoethyl)-2,5-dimethoxy-; Spectrum_001021; Prestwick0_000535; Prestwick1_000535; Prestwick2_000535; Prestwick3_000535; Spectrum2_000776; Spectrum3_000498; Spectrum4_000051; Spectrum5_001821; (1R,2S)-2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol; Lopac0_000769; SCHEMBL34158; BSPBio_000549; BSPBio_001995; GTPL483; KBioGR_000541; KBioSS_001501; 2-amino-1-[2,5-bis(methyloxy)phenyl]propan-1-ol; SPBio_000852; SPBio_002470; BPBio1_000605; NRL001; DTXSID0023290; KBio2_001501; KBio2_004069; KBio2_006637; KBio3_001495; NRL-001; BDBM50026777; CCG-204854; DB00723; MCULE-1220066468; SDCCGSBI-0050747.P004; NCGC00015692-03; NCGC00015692-04; NCGC00015692-06; NCGC00015692-08; NCGC00015692-13; NCGC00089793-02; SBI-0050747.P003; AB00053731; C07513; D08201; 2-Amino-1-(2,5-dimethoxy-phenyl)-propan-1-ol; 2-Amino-1-(2,5-dimethoxyphenyl)-1-propanol #; AB00053731_12; AB00053731_13; 390M283; L000757; Q685119; BRD-A39189014-003-14-4; (.+/-.)-.alpha.-(1-Aminoethyl)-2,5-dimethoxybenzyl alcohol; 2-Amino-1-(2,5-dimethoxy-phenyl)-propan-1-ol (methoxamine); 2-Amino-1-(2,5-dimethoxy-phenyl)-propan-1-ol(Methoxamine); 2-(4-BROMO-PHENYL)-5-METHYL-2H-PYRAZOLE-3-CARBOXYLICACID"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6839	DB00723	DR01182	.	211.26	C11H17NO3	64.7	189	0.5	15	2	4	4	"1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3"	CC(C(C1=C(C=CC(=C1)OC)OC)O)N	WJAJPNHVVFWKKL-UHFFFAOYSA-N
DG00849	Trifluridine	6256	"Trifluridine; TRIFLUOROTHYMIDINE; 70-00-8; Viroptic; 5-Trifluorothymidine; Trifluoromethyldeoxyuridine; Trifluridina; Virophta; F3DThd; 5-(Trifluoromethyl)deoxyuridine; F3TDR; Trifluridinum; 5-Trifluoromethyl-2-deoxyuridine; Trifluorothymine deoxyriboside; 1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione; TFDU; 2'-Deoxy-5-trifluoromethyluridine; UNII-RMW9V5RW38; alpha,alpha,alpha-Trifluorothymidine; NSC 75520; NSC 529182; Uridine, 2'-deoxy-5-(trifluoromethyl)-; 2'-Deoxy-5-(trifluoromethyl)uridine; Trifluridine (Viroptic); MFCD00006534; CHEMBL1129; RMW9V5RW38; MLS000028361; CHEBI:75179; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione; Triflurdine (Viroptic); Fluridine; SMR000058583; Trifluridinum [INN-Latin]; Trifluridina [INN-Spanish]; F3T; DSSTox_CID_26602; DSSTox_RID_81757; DSSTox_GSID_46602; 5-Trifluoromethyl-2'-deoxyuridine; 5-Trifluoro-2'-deoxythymidine; 5-(Trifluoromethyl)-2'-deoxyuridine; CF3dUrd; Viroptic (TN); Thymidine, alpha,alpha,alpha-trifluoro-; CCRIS 2348; EINECS 200-722-8; BRN 0568095; NSC75520; NSC-75520; NSC529182; Trifluridine [USAN:USP:INN]; HSDB 8126; NSC-529182; CAS-70-00-8; NCGC00166323-01; HS-0007; Opera_ID_1810; 5-Trifluoromethylthymidine; Trifluoromethyl Deoxyuridine; cid_6256; SCHEMBL3479; 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-D-ribofuranosyl)-5-(trifluoromethyl)-; MLS001148248; MLS006010219; Trifluridine (JAN/USP/INN); GTPL8697; DTXSID4046602; cid_6708818; HMS2233N19; HMS3715C14; 5-trifluoromethyl-2''-deoxyuridine; BCP09147; HY-A0061; ZINC3842753; Tox21_112411; BDBM50132298; Trifluorothymidine, >=99% (HPLC); AKOS015919482; Tox21_112411_1; CCG-221056; CS-1602; DB00432; NCGC00166323-02; NCGC00166323-16; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione; SRI-10817-12; SRI-10817_14; AM20100660; S1778; SW199522-2; T2511; D00391; 006T534; A836733; SR-01000721911; J-700255; J-700357; Q2359590; SR-01000721911-2; BRD-K03243820-001-12-1; BRD-K03243820-001-25-3; Trifluridine, British Pharmacopoeia (BP) Reference Standard; Trifluridine;FTD;5-Trifluorothymidine;NSC 529182;NSC 75520; Trifluridine, United States Pharmacopeia (USP) Reference Standard; 1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione; 1-((2R,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-trifluoromethyl-1H-pyrimidine-2,4-dione"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:75179	DB00432	DR00096	DR1643	296.2	C10H11F3N2O5	99.1	464	-0.5	20	3	8	2	"1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1"	C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O	VSQQQLOSPVPRAZ-RRKCRQDMSA-N
DG00855	Amfepramone	7029	"DIETHYLPROPION; Amfepramone; Diethylpropione; Anorex; Tepanil; 90-84-6; Frekentine; Danylen; Magrene; Tylinal; alpha-Benzoyltriethylamine; Amfepramonum; Prefamone; Regenon; Diethylcathinone; Dobesin; alpha-Diethylaminopropiophenone; Anfepramona; 1-Propanone, 2-(diethylamino)-1-phenyl-; Amfepramonum [INN-Latin]; Anfepramona [INN-Spanish]; 2-(Diethylamino)propiophenone; Amfepramone [INN]; 2-(diethylamino)-1-phenylpropan-1-one; 1-Phenyl-2-diethylamino-1-propanone; 2-(Diethylamino)-1-phenyl-1-propanone; Tenuate; Amfepramon; DEA No. 1610; Propiophenone, 2-(diethylamino)-; Amfepramone (INN); Amphepramon; Amphepramone; Nopropiophenone; Adiposon; Neobes; Tenuate Dospan; Amphepramonum hydrochloride; Diethylpropione hydrochloride; Cegramine; Obesitex; Silutin; Derfon; Regenon hydrochloride; CHEBI:4530; Anfamon; Keramik; Keramin; Modulor; Parabolin; C06954; D07444; Tenuate hydrochloride; UR 1423; (+-)-diethylpropion; Diethylpropion (BAN); Fenyl-(1-diethylaminoethyl)keton [Czech]; Fenyl-(1-diethylaminoethyl)keton; HSDB 3059; NCGC00167475-01; EINECS 202-019-1; BRN 2804400; Anferpramon; 1-Phenyl-2-diethylaminopropanone-1 hydrochloride; Propiophenone, 2-(diethylamino)-, hydrochloride; Propiophenone, 2-diethylamino-; (+/-)-diethylpropion; .alpha.-benzoyltriethylamine; SCHEMBL27330; 4-14-00-00144 (Beilstein Handbook Reference); GTPL7161; CHEMBL1194666; DTXSID6022929; MFCD00056154; AKOS025401369; DIETHYLPROPION, DONYLEN,DOBESIN; DB00937; J4.327C; MCULE-3905795013; 2-Diethylaminopropiophenone hydrochloride; AC-13099; 2-(Diethylamino)-1-phenyl-1-propanone #; 1-Phenyl-2-diethylamino-1-propanone hydrochloride; Q2356505; BRD-A37288617-003-01-4"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4530	.	DR01090	.	205.3	C13H19NO	20.3	193	2.8	15	0	2	5	"1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3"	CCN(CC)C(C)C(=O)C1=CC=CC=C1	XXEPPPIWZFICOJ-UHFFFAOYSA-N
DG00859	Chymopapain	9001	"TIRON; Tiferron; 149-45-1; Disodium 4,5-dihydroxybenzene-1,3-disulfonate; Sodium catechol sulfate; 1,3-Benzenedisulfonic acid, 4,5-dihydroxy-, disodium salt; Sodium 4,5-dihydroxybenzene-1,3-disulfonate; 1,2-Dihydroxybenzene-3,5-disulfonic acid disodium salt; UNII-4X87R5T106; 3,5-Disulfocatechol disodium salt; Sodium pyrocatechol-3,5-disulfonate; Disodium pyrocatechol-3,5-disulfonate; Sodium 1,2-dihydroxybenzenedisulfonate; Dihydroxy benzene disulfonate disodium salt; Disodium 4,5-dihydroxy-m-benzenedisulfonate; Sodium 1,2-dihydroxy-3,5-benzenedisulfonate; CHEBI:9607; Catechol-3,5-disulfonic Acid Disodium Salt; Disodium 1,2-dihydroxybenzene-3,5-disulfonate; Disodium 4,5-dihydroxybenzene-1,3-disulphonate; Disodium 4,5-dihydroxy-1,3-benzenedisulfonate; 4,5-Dihydroxy-m-benzenedisulfonic acid disodium salt; 4X87R5T106; CHYMOPAPAIN; m-Benzenedisulfonic acid, 4,5-dihydroxy-, disodium salt; 1,3-Benzenedisulfonic acid, 4,5-dihydroxy-, sodium salt (1:2); SDD; EINECS 205-741-5; NSC 12861; Pyrocatechol-3,5-disulfonic acid disodium salt; Tiron (1,2-Dihydroxybenzene-3,5-disulfonic acid disodium salt); Tiron, p.a. 99%; DSSTox_CID_23950; DSSTox_RID_80093; DSSTox_GSID_43950; SCHEMBL22220; CHEMBL110526; DTXSID7043950; AMY37894; Tox21_302148; MFCD00007473; AKOS002248727; AKOS015913779; NCGC00255944-01; CAS-149-45-1; CS-0010164; D0567; Q2436330; W-108084; 4,5-Dihydroxy-1,3-benzenedisulfonic acid, Disodium salt"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9607	.	.	.	314.2	C6H4Na2O8S2	172	413	.	18	2	8	0	"1S/C6H6O8S2.2Na/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2"	C1=C(C=C(C(=C1O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	ISWQCIVKKSOKNN-UHFFFAOYSA-L
DG00861	Nandrolone	9904	"Nandrolone; 19-Nortestosterone; 434-22-0; 19-Norandrostenolone; Nortestosterone; 17beta-Hydroxy-4-estren-3-one; 4-Estren-17beta-ol-3-one; Nortestosteronum; Nandrolon; Norandrostenolone; Nortestonate; Menidrabol; Nandrolona; Nandrolonum; Oestrenolon; Norandrostenolon; 17beta-Hydroxy-19-nor-4-androsten-3-one; 17beta-hydroxyestr-4-en-3-one; (17beta)-17-hydroxyestr-4-en-3-one; 17-beta-Hydroestr-4-en-3-one; (17-beta)-17-Hydroxyestr-4-en-3-one; UNII-6PG9VR430D; (8R,9S,10R,13S,14S,17S)-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one; CHEMBL757; 6PG9VR430D; CHEBI:7466; Estr-4-en-3-one, 17-hydroxy-, (17b)-; NSC 3351; NCGC00159416-02; U 2410; DSSTox_CID_3350; (+)-19-Nortestosterone; DSSTox_RID_76987; DSSTox_GSID_23350; Nandrolonum [INN-Latin]; Nandrolona [INN-Spanish]; decadura (TN); CAS-434-22-0; Nandrolone (INN); SMR000058610; HSDB 3368; Nandrolone [INN:BAN]; EINECS 207-101-0; Estr-4-en-3-one, 17-hydroxy-, (17beta)-; Estr-4-en-3-one, 17beta-hydroxy-; NSC-3351; Nandrolone Base; Nandrolone cIII; NCGC00164479-01; 19-nor-testosterone; Estr-4-en-3-one, 17-beta-hydroxy-; 17.beta.-Nandrolone; Nandrolone Decanoic acid; Estr-4-en-3-one, 17-hydroxy-, (17.beta.)-; enta[a]phenanthren-3-one; 17.beta.-Nortestosterone; EC 207-101-0; SCHEMBL20140; MLS001423989; MLS002222325; Nandrolone(19-nortestosterone); GTPL6949; DTXSID7023350; Deca-Durabolin (decanoate ester); Durabolin (phenylpropionate ester); HMS2051I04; HMS2098E05; HMS2272P06; HMS3715E05; ZINC3814379; Tox21_113167; Tox21_113199; Tox21_201212; BDBM50080092; LMST02010044; AKOS015894933; Nandrolone 1.0 mg/ml in Acetonitrile; Tox21_113167_1; CCG-100835; CS-1416; DB13169; GS-6819; NC00085; NCGC00159416-03; NCGC00159416-04; NCGC00258764-01; (8R,9S,10R,13S,14S,17S)-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one; AC-15207; AC-30575; CPD000058610; HY-17432; 19-Nortestosterone, >=99.0% (HPLC); Estr-4-en-3-one, 17beta-hydroxy- (8CI); C07254; D08250; Nandrolone, VETRANAL(TM), analytical standard; 434N220; Q421709; SR-01000781257; SR-01000781257-3; W-106227; Estr-4-en-3-one, 17-hydroxy-, (17beta)- (9CI); Estr-4-en-3-one, 17-hydroxy-, (17-beta)- (9CI); Nandrolone, British Pharmacopoeia (BP) Reference Standard; Nandrolone, United States Pharmacopeia (USP) Reference Standard; (1S,2R,10R,11S,14S,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one; (8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclop; (8~{r},9~{s},10~{r},13~{s},14~{s},17~{s})-13-Methyl-17-Oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1~{h}-Cyclopenta[a]phenanthren-3-One; (8R,10R,13S,17S)-17-Hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one; 6VW; Nandrolone solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7466	DB13169	DR00854	DR1129	274.4	C18H26O2	37.3	466	2.6	20	1	2	0	"1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34	NPAGDVCDWIYMMC-IZPLOLCNSA-N
DG00863	Lucanthone	10180	"LUCANTHONE; 479-50-5; Lucanthon; Lucanthonum; Lucantona; Lucanthonum [INN-Latin]; Lucantona [INN-Spanish]; 1-((2-(Diethylamino)ethyl)amino)-4-methylthioxanthen-9-one; 1-{[2-(Diethylamino)ethyl]amino}-4-methyl-9H-thioxanthen-9-one; UNII-FC6D57000M; CHEBI:51052; 1-((2-(diethylamino)ethyl)amino)-4-methyl-9H-thioxanthen-9-one; FC6D57000M; Lucanthone [INN:BAN]; 1-[[2-(Diethylamino)ethyl]amino]-4-methylthioxanthone; 1-diethylaminoethylethylamino-4-methyl-thioxanthenone; 1-{[2-(diethylamino)ethyl]amino}-4-methylthioxanthen-9-one; NSC14574; CCRIS 1106; EINECS 207-532-4; BRN 0312369; AI3-16160; NCIMech_000830; SCHEMBL9156; 5-18-11-00503 (Beilstein Handbook Reference); CHEMBL279014; DTXSID6023230; HY-B2098; Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-methyl-; ZINC3831012; 9H-Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-4-methyl-; BDBM50030282; CCG-35817; s6471; CS-6665; DB04967; BS-49111; NCI60_000988; 479L505; Q6696022; 1-(2-diethylaminoethylamino)-4-methyl-thioxanthen-9-one; 1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one; 9H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-methyl- (9CI)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:51052	DB04967	.	.	340.5	C20H24N2OS	57.6	426	4	24	1	4	6	"1S/C20H24N2OS/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20/h6-11,21H,4-5,12-13H2,1-3H3"	CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O	FBQPGGIHOFZRGH-UHFFFAOYSA-N
DG00868	Methamphetamine	10836	"METHAMPHETAMINE; Metamfetamine; d-Methamphetamine; d-Deoxyephedrine; d-Desoxyephedrine; Metamphetamine; Methylamphetamine; d-N-Methylamphetamine; d-Methylamphetamine; d-Phenylisopropylmethylamine; N-Methylamphetamine; (S)-Methamphetamine; Norodin; (+)-Methylamphetamine; d-(S)-Methamphetamine; D-1-Phenyl-2-methylaminopropane; Desyphed; (+)-N-Methylamphetamine; (S)-Methylamphetamine; (+)-(S)-Deoxyephedrine; Methyl-beta-phenylisopropylamine; 537-46-2; 1-Phenyl-2-methylaminopropane; (S)-(+)-Deoxyephedrine; Metamfetamina; Metamfetaminum; (2S)-N-methyl-1-phenylpropan-2-amine; (+)-methamphetamine; Metanfetamina; S-(+)-Methamphetamine; (S)-N,alpha-Dimethylbenzeneethanamine; D-N,alpha-dimethylphenethylamine; Metamfetaminum [INN-Latin]; Metamfetamina [INN-Spanish]; Metanfetamina [INN-Spanish]; Methamphetaminum [INN-Latin]; (+)-2-(N-Methylamino)-1-phenylpropane; Meth; Metamfetamine [INN]; N-Methyl-beta-phenylisopropylamine; 1-Phenyl-2-methylamino-propan [German]; (+)-N,alpha-Dimethylphenethylamine; d-1-Phenyl-2-methylaminopropan [German]; (+)-N,alpha-Dimethyl-beta-phenylethylamine; D-1-Phenyl-2-methylaminopropan; 2S-(+)-Methamphetamine; dextromethamphetamine; (S)-(+)-Methamphetamine; (+)-(S)-N-alpha-Dimethylphenethylamine; N-Methyl-beta-phenylisopropylamin [German]; NSC 25115; (S)-N,alpha-Dimethylbenzeneethanoamine; UNII-44RAL3456C; CHEBI:6809; (S)-(+)-N,alpha,dimethylphenethylamine; Metamfetamine (INN); (alphaS)-N,alpha-dimethylbenzeneethanamine; Benzeneethanamine, N,alpha-dimethyl-, (S)-; Methyl-.beta.-phenylisopropylamine; d-N,.alpha.-Dimethylphenethylamine; Stimulex; Speed; 44RAL3456C; Benzeneethanamine, N,alpha-dimethyl-, (alphaS)-; 1-Phenyl-2-methylamino-propan; NSC-25115; N-Methyl-beta-phenylisopropylamin; Crank; Methamphetaminum; Methamphetaminum [JP]; Crystal Meth; Metamfetaminum [Latin]; Metanfetamina [Spanish]; Meth (Street Name); ICE [Street Name]; Crank [Street Name]; Speed [Street Name]; Crystal Meth [Street Name]; HSDB 3359; N-Methyl-1-phenyl-2-propanamine; (+ )-Methylamphetamine; EINECS 208-668-7; Phenethylamine, N,alpha-dimethyl-, (+)-; Benzeneethanamine, N,alpha-dimethyl-, (+)-; DEA No. 1105; B40; Benzeneethanamine, N,.alpha.-dimethyl-, (S)-; Methamphetamine, its salts, isomers, and salts of its isomers; Phenethylamine, N,.alpha.-dimethyl-, (S)-(+)-; Epitope ID:178090; intra-venous methamphetamine; Phenethylamine, N,alpha-dimethyl-, (S)-(+)-; (s)-phenylmethylaminopropane; Benzeneethanamine,.alpha.-dimethyl-, (S)-; d-N,a-dimethylphenethylamine; SCHEMBL42615; Phenethylamine,.alpha.-dimethyl-, (S)-(+)-; CHEMBL1201201; DTXSID8037128; WLN: 1MY1&1R -D; N,I+/--Dimethyl-phenethyl amine; Desyphed hydrochloride (Salt/Mix); NSC25115; ZINC6021043; N-Methyl-1-phenyl-2-propanamine #; BDBM50359499; PDSP1_001404; PDSP1_001405; PDSP2_001388; PDSP2_001389; (+)-N,.alpha.-Dimethylphenethylamine; (S)-N-methyl-1-phenylpropan-2-amine; DB01577; J6.362B; Desoxyephedrine hydrochloride (Salt/Mix); methyl[(2S)-1-phenylpropan-2-yl]amine; Phenethylamine,.alpha.-dimethyl-, (+)-; (+)-(S)-N-.alpha.-Dimethylphenethylamine; Benzeneethanamine,.alpha.-dimethyl-, (+)-; Phenethylamine, N,.alpha.-dimethyl-, (+)-; Benzeneethanamine, N,.alpha.-dimethyl-, (+)-; C07164; D08187; (+)-N,.alpha.-Dimethyl-.beta.-phenylethylamine; Q191924; Phenethylamine, N,alpha-dimethyl-, (S)-(+)- (8CI); Benzeneethanamine, N,alpha-dimethyl-, (alphaS)- (9CI); UNII-13ZT6YG5SD component MYWUZJCMWCOHBA-VIFPVBQESA-N; (+)-N,.alpha.-Dimethylphenethylamine hydrochloride (Salt/Mix); S(+)-Methamphetamine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6809	.	DR00256	DR1036	149.23	C10H15N	12	95	2.1	11	1	1	3	"1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1"	C[C@@H](CC1=CC=CC=C1)NC	MYWUZJCMWCOHBA-VIFPVBQESA-N
DG00869	Acetylcysteine	12035	"N-Acetyl-L-cysteine; acetylcysteine; 616-91-1; N-Acetylcysteine; mercapturic acid; Acetadote; L-Acetylcysteine; Broncholysin; Mucomyst; N-Acetyl-cysteine; Fluimucil; Parvolex; Fluimucetin; Fluprowit; Acetein; Airbron; Fabrol; Flumucetin; Mucosolvin; Mucosil; Respaire; Brunac; Fluimicil Infantil; Acetilcisteina; Acetylcysteinum; Lysomucil; Mucofilin; Exomuc; Inspir; Ac-Cys-OH; Mucolyticum Lappe; Mucolytikum Lappe; (R)-2-Acetamido-3-mercaptopropanoic acid; Acetyl-L-cysteine; N-Acetyl cysteine; Mucolyticum; LNAC; Syntemucol; acetyl cysteine; N-Acetyl-3-mercaptoalanine; Tixair; N-Acetyl-L-(+)-cysteine; Neo-fluimucil; NAC-TB; (2R)-2-acetamido-3-sulfanylpropanoic acid; component of Naxid; Mercapturic acid, (R)-; Cysteine, N-acetyl-, L-; cysteine, N-acetyl-; L-Cysteine, N-acetyl-; (R)-mercapturic acid; Fluatox; Mucolator; Mucret; UNII-WYQ7N0BPYC; (2R)-2-Acetamido-3-sulfanyl-propanoic acid; L-alpha-Acetamido-beta-mercaptopropionic acid; NSC 111180; Mucolyticum-Lappe; WYQ7N0BPYC; MFCD00004880; MLS000028419; CHEBI:28939; NSC-111180; RK-0202; NCGC00022304-05; N-Acetyl-L-cysteine hydrochloride; SMR000058377; DSSTox_CID_21; (R)-2-acetylamino-3-mercaptopropanoic acid; (2R)-2-acetylamino-3-sulfanylpropanoic acid; DSSTox_RID_75324; DSSTox_GSID_20021; Cetylev; Flumil; Ilube; N-acetylcystein; Muco sanigen; MUCOSIL-10; MUCOSIL-20; Acetylcysteinum [INN-Latin]; CAS-616-91-1; Acetilcisteina [INN-Spanish]; CCRIS 3764; HSDB 3003; SR-01000075439; EINECS 210-498-3; Fluimicil; Mucocedyl; Oristar nalc; AcCys; NSC111180; N-acetyl-l-cys; Sodium 2-acetamido-3-mercaptopropionate; SC2; Ilube (eye drops); N-A-C Sustain; N-acetyl-L-cystein; N-acetyi-l-cysteine; Naxid (Salt/Mix); N-Acety-L-Cysteine; Acetyl Cysteine,(S); Acetylcysteine [USAN:USP:INN:BAN:JAN]; N-acetyl-(R)-cysteine; Opera_ID_452; MUCOMYST (TN); Acetylcysteine Ph. Eur.; Spectrum2_000086; Spectrum3_000287; Spectrum4_000137; Spectrum5_000764; CHEMBL600; NAC & TNF; SCHEMBL5292; (2R)-2-(acetylamino)-3-sulfanylpropanoic acid; Lopac0_000081; BSPBio_001794; KBioGR_000554; MLS001076125; MLS006011563; SPECTRUM1500105; SPBio_000012; Acetylcysteine(N-acetylcysteine); DTXSID5020021; GTPL10945; KBio3_001294; N-Acetyl-L-cysteine, USP grade; Acetylcysteine (JP17/USP/INN); HMS1920A11; HMS2091G11; HMS2234J22; HMS3260A04; HMS3655G11; HMS3715D03; HMS3884E04; HY-B0215; ZINC3589203; 2-Acetylamino-3-mercapto-propionate; Tox21_110877; Tox21_201078; Tox21_500081; acetylcysteine (n-acetyl-l-cysteine); BDBM50420190; CCG-38902; s1623; AKOS015841009; Tox21_110877_1; CCG-204176; DB06151; GS-3121; LP00081; SDCCGSBI-0050069.P002; NCGC00015086-04; NCGC00022304-03; NCGC00022304-04; NCGC00022304-06; NCGC00022304-07; NCGC00022304-08; NCGC00022304-17; NCGC00022304-23; NCGC00258631-01; NCGC00260766-01; AC-16071; AC-24117; BP-12854; I630; SBI-0051272.P003; DB-038288; A0905; AM20100502; EU-0100081; SW199597-2; (2R)-2-acetylamino-3-mercapto-propionic acid; EN300-72028; 16A911; A 7250; A-1100; C06809; D00221; L-Cysteine, N-acetyl- & Tumor necrosis factor; N-Acetyl-L-cysteine, BioXtra, >=99% (TLC); AB00051908_02; AB00382974-12; AB00382974_13; L-.alpha.-Acetamido-.beta.-mercaptopropionic acid; Q375613; J-507685; N-Acetyl-L-cysteine & Tumor necrosis factor (TNF); N-Acetyl-L-cysteine 100 microg/mL in Acetonitrile; SR-01000075439-1; SR-01000075439-3; SR-01000075439-5; BRD-K59058747-001-20-9; N-Acetyl-L-cysteine, cell culture tested, BioReagent; N-Acetyl-L-cysteine, Vetec(TM) reagent grade, 98%; F1905-7178; CABC898A-E48B-4E13-9F72-98D0609A1854; N-Acetyl-L-cysteine, SAJ special grade, 98.0-102.0%; N-Acetyl-L-cysteine, Sigma Grade, >=99% (TLC), powder; UNII-2SPH1IMO2V component PWKSKIMOESPYIA-BYPYZUCNSA-N; Acetylcysteine, British Pharmacopoeia (BP) Reference Standard; Acetylcysteine, European Pharmacopoeia (EP) Reference Standard; Acetylcysteine, United States Pharmacopeia (USP) Reference Standard; N-Acetyl-L-cysteine, Pharmaceutical Secondary Standard; Certified Reference Material; N-Acetyl-L-cysteine, PharmaGrade, Ajinomoto, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production, suitable for cell culture"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB06151	.	.	163.2	C5H9NO3S	67.4	148	0.4	10	3	4	3	"1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1"	CC(=O)N[C@@H](CS)C(=O)O	PWKSKIMOESPYIA-BYPYZUCNSA-N
DG00872	Citicoline	13804	"Citicoline; cytidine 5'-diphosphocholine; CDP-choline; 987-78-0; citicholine; cytidine diphosphate choline; Citidoline; Cytidoline; Difosfocin; Cyscholin; Citicolinum; Citicolina; CDP-colina; cyticholine; Cytidine 5'-diphosphoric choline; Haocolin; Nicholin; Niticolin; Recofnan; Recognan; Somazina; Suncholin; Colite; Ensign; Cytidindiphosphocholin; Cytidine 5'-(choline diphosphate); Cytidine 5'-(cholinyl pyrophosphate); Cytidine diphosphocholine; Cytidine diphosphorylcholine; Choline cytidine diphosphate; Cytidine choline diphosphate; citidin difosfato de colina; Emicholin; Meibis; Choline 5'-cytidine diphosphate; CDP-cholin; Cereb; Cytidine 5'-diphosphate choline; Cytidine diphosphate choline ester; Cytidinediphosphoric choline; [2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM; UNII-536BQ2JVC7; Cytidine 5'-(trihydrogen diphosphate), P'-(2-(trimethylammonio)ethyl) ester, inner salt; IP 302; IP-302; Choline cytidine 5'-pyrophosphate ester; Choline, ester with cytidine 5'-pyrophosphate; CDP-cholin [German]; CDP-colina [Spanish]; Startonyl; Ubelin; Citicoline [INN:JAN]; Citicolinum [INN-Latin]; Citicolina [INN-Spanish]; 536BQ2JVC7; CHEBI:16436; 2-(((((((2R,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)-N,N,N-trimethylethanaminium; Cytidindiphosphocholin [German]; Cytidine diphosphate cholin ester; C14H26N4O11P2; EINECS 213-580-7; Citidin difosfato de colina [Spanish]; Cytidine 5-diphosphocholine; NSC 122002; BRN 4170138; Cytidine, 5'-pyrophosphate, ester with choline; Cytidine 5'-(trihydrogen diphosphate), P'-[2-(trimethylammonio)ethyl] ester, inner salt; Nicholin (TN); Citicoline (JP17/INN); cytidine diphosphate-choline; CDP-choline (neutral charge); SCHEMBL221081; AOB5033; MFCD00868097; AKOS025312525; CCG-269597; DB04290; DB12153; Choline, hydroxide, 5'-ester with cytidine 5'-(trihydrogen pyrophosphate), inner salt; Cytidine 5'-(trihydrogen diphosphate), mono(2-(trimethylammonio)ethyl) ester, hydroxide, inner salt; K771; C00307; D00057; D81851; A847982; W-100063; Q28529682; 5'-O-[(S)-hydroxy({[2-(trimethylammonio)ethoxy]phosphinato}oxy)phosphoryl]cytidine; 5'-O-[hydroxy({[2-(trimethylammonio)ethoxy]phosphinato}oxy)phosphoryl]cytidine; Cytidine 5'-(trihydrogen diphosphate), P'-[2-(trimethylammonio)ethyl]ester, inner salt; {2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]ethyl}trimethylazanium"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16436	.	.	DR2077	488.32	C14H26N4O11P2	214	821	-4	31	4	11	10	"1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1"	C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O	RZZPDXZPRHQOCG-OJAKKHQRSA-N
DG00876	Abametapir	15664	"5,5'-Dimethyl-2,2'-bipyridine; 1762-34-1; Abametapir; 6,6'-Bi-3-picoline; 5,5'-Dimethyl-2,2'-bipyridyl; 5,5'-Dimethyl-2,2'-dipyridyl; 2,2'-BIPYRIDINE, 5,5'-DIMETHYL-; HA-44; BRN 0123183; 6,6'-Di-3-picolyl; 6,6'-Di-3-picoline; UNII-6UO390AMFB; 5-methyl-2-(5-methylpyridin-2-yl)pyridine; 6UO390AMFB; CHEMBL2205807; 5,5'-dimethyl-2,2'-bipyridinyl; MFCD01740554; Xeglyze; Abametapir [USAN:INN]; Xeglyze(Abametapir); Xeglyze (TN); Abametapir (USAN/INN); SCHEMBL351152; HA44; YSSJ3184; 2,2 -Bis-(5-methylpyridyl); 2,2'dimethyl-5,5'-dipyridyl; 5,5'dimethyl-2,2'-dipyridyl; DTXSID00170095; ZINC403335; 9238AA; BDBM50401351; LT0042; s5752; 5,5''-Dimethyl-2,2''-bipyridine; AKOS005257775; CS-W004546; DB11932; HY-W004546; MCULE-8581798506; SB17220; 5,5'-Dimethyl-2,2'-dipyridyl, 98%; DS-15219; SY052805; FT-0689891; D10687; D70523; W-108621; Q27265547; 5,5 inverted exclamation mark -Dimethyl-2,2 inverted exclamation mark -bipyridyl"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11932	.	.	184.24	C12H12N2	25.8	161	2.2	14	0	2	1	"1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3"	CC1=CN=C(C=C1)C2=NC=C(C=C2)C	PTRATZCAGVBFIQ-UHFFFAOYSA-N
DG00880	Doxifluridine	18343	"Doxifluridine; 5'-Deoxy-5-fluorouridine; 5-fluoro-5'-deoxyuridine; Furtulon; 3094-09-5; 5'-Dfur; Flutron; Uridine, 5'-deoxy-5-fluoro-; Doxifluridina; Doxifluridinum; Ro 21-9738; Ro 219738; 5'dFUrd; 1-(beta-D-5-Desoxyribofuranoxyl)-5-fluoruracil; UNII-V1JK16Y2JP; CHEMBL1130; V1JK16Y2JP; Capecitabine related compound b; 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoropyrimidine-2,4(1H,3H)-dione; CHEBI:31521; NCGC00093926-03; Doxifluridine (5-Fluoro-5'-deoxyuridine); DSSTox_CID_2967; 5'FDUR; DSSTox_RID_76809; DSSTox_GSID_22967; 5'-Doxifluridine; 5'-dFUrd; Furtulon (TN); 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl]-5-fluoro-pyrimidine-2,4-dione; SMR000326811; CAS-3094-09-5; Uridine-5'-deoxy-5-fluoro-; SR-01000075886; Doxifluridine [INN:JAN]; 5-DFUR; Doxifluridinum [INN-Latin]; Doxifluridina [INN-Spanish]; Fulturon; MFCD00866530; NSC-758890; EINECS 221-440-1; 5-Deoxy-5-fluorouridine; 5-Fluoro-5`-deoxyuridine; SCHEMBL8094; Doxifluridine (JP17/INN); Lopac0_000537; MLS001332579; MLS001332580; MLS002172440; MLS002207077; DTXSID2022967; HMS2090C22; HMS2231I05; HMS3261L15; AMC 0101; AMY13408; HY-B0021; ZINC1319177; Tox21_111231; Tox21_500537; BDBM50132295; s2045; CAPECITABINE IMPURITY B (USP); AKOS015852921; AKOS015896821; Tox21_111231_1; CCG-204627; CS-1270; DB12947; KS-5065; LP00537; NSC 758890; SDCCGSBI-0050520.P002; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione; NCGC00093926-01; NCGC00093926-02; NCGC00093926-05; NCGC00093926-11; NCGC00261222-01; Ro-21-9738; SRI-11552-08; SRI-11552_09; 5''-Deoxy-5-Fluorouridine (5''-Dfur); RO-219738; EU-0100537; D01309; F 8791; 094F095; Q1253473; SR-01000075886-1; SR-01000075886-5; 5'-DFUR (5'-Deoxy-5-fluorouridine, Doxifluridine); BRD-K58262659-001-09-7; Capecitabine impurity B, European Pharmacopoeia (EP) Reference Standard; Capecitabine Related Compound B, United States Pharmacopeia (USP) Reference Standard; 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl)-5-fluoropyrimidine-2,4(1H,3H)-dione; 1-((2R,5R)-3,4-Dihydroxy-5-methyl-tetrahydro-furan-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione; 1-((4S,2R,3R,5R)-3,4-Dihydroxy-5-methyloxolan-2-yl)-5-fluoro-1,3-dihydropyrimidine-2,4-dione; 1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoropyrimidine-2,4(1H,3H)-dione (5'-Deoxy-5-fluorouridine)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31521	DB12947	.	.	246.19	C9H11FN2O5	99.1	399	-1.7	17	3	6	1	"1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1"	C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)O)O	ZWAOHEXOSAUJHY-ZIYNGMLESA-N
DG00882	Cephaloglycin	19150	"Cefaloglycin; CEPHALOGLYCIN; Cephaloglycine; D-Cephaloglycine; Cephaoglycin acid; 3577-01-3; Cefaloglycine; Cephaloglycin anhydrous; Cefaloglicina; Cefaloglycinum; D-(-)-Cephaloglycin; 7-(D-alpha-Aminophenyl-acetamido)cephalosporanic acid; 7-(2-D-alpha-Aminophenylacetamido)cephalosporanic acid; CHEBI:34613; Kefglycin; CEG; Cephaloglycin dihydrate; UNII-HD2D469W6U; HD2D469W6U; (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-(D-2-Amino-2-phenylacetamido)-3-acetoxymethyl-delta(sup3)-cephem-4-carboxylic acid; Cefaloglycine [INN-French]; Cefaloglycinum [INN-Latin]; Cefaloglicina [INN-Spanish]; Lilly 39435; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(acetyloxy)methyl]-7-[[(2R)-aminophenylacetyl]amino]-8-oxo-,(6R,7R)-; Cefaloglycin (JAN); Kefocin; HSDB 3214; EINECS 222-696-7; Cefaloglycin [INN]; Cefaloglycin dihydrate; Cephaloglycin anhdyous; 7-(2-Amino-2-phenylacetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid acetate (ester); Epitope ID:174844; SCHEMBL2947; 7-(D-2-Amino-2-phenylacetamido)-3-acetoxymethyl-delta(sup 3)-cephem-4-carboxylic acid; 3-((Acetyloxy)methyl)-7-((aminophenylacetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((aminophenylacetyl)amino)-8-oxo-, (6R-(6alpha,7beta(R*)))-; 7-(2-Amino-2-phenylacetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)octane-2-carboxylic acid, acetate inner salt; CHEMBL1200971; DTXSID4022781; ZINC3830503; DB00689; 3-acetoxymethyl-7beta-[(2R)-2-amino-2-phenylacetamido]-3,4-didehydrocepham-4-carboxylic acid; NCGC00521078-02; (6R,7R)-3-(acetoxymethyl)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-[(acetyloxy)methyl]-7-{[(2R)-2-amino-2-phenylacetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(2-amino-2-phenylacetamido)-3-(hydroxymethyl)-8-oxo-, acetate (ester), D-; HY-16137; CS-0006156; D01949; Q5057214; (6R,7R)-3-[(acetyloxy)methyl]-7-[(2R)-2-amino-2-phenylacetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:34613	DB00689	DR01373	.	405.4	C18H19N3O6S	164	718	-3	28	3	8	7	"1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1"	CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O	FUBBGQLTSCSAON-PBFPGSCMSA-N
DG00884	Beclomethasone	20469	"Beclomethasone; Beclometasone; 4419-39-0; Beclomethasone Solution; Beclometasona; Beclometasonum; UNII-KGZ1SLC28Z; 9-Chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione; MLS000028668; KGZ1SLC28Z; SMR000058899; CHEBI:3001; (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; 9alpha-Chloro-16beta-methylprednisolone; NCGC00164402-01; DSSTox_CID_20750; DSSTox_RID_79587; DSSTox_GSID_40750; Beclometasonum [INN-Latin]; Beclometasona [INN-Spanish]; (11beta,16beta)-9-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione; (8~{S},9~{R},10~{S},11~{S},13~{S},14~{S},16~{S},17~{R})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; CAS-4419-39-0; BMJ 5800; EINECS 224-585-9; Beclometasone [INN:BAN]; pulvinal; 9-Chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione (Beclometasone); Beclometason (TN); Beclometasone (INN); Opera_ID_1081; SCHEMBL3183; CHEMBL1586; cid_20469; MLS001076089; BIDD:GT0556; GTPL7059; DTXSID5040750; BCBcMAP01_000159; BDBM53488; AMY7469; 9alpha-Chloro-16beta-methyl-1,4-pregnadiene-11beta,17alpha,21-triol-3,20-dione; HMS2233A18; EX-A4423; HY-B1540; ZINC4097285; Tox21_112116; 8060AH; MFCD00135614; AKOS037645177; Tox21_112116_1; CS-5872; Pregna-1,4-diene-3,20-dione, 9-chloro-11,17,21-trihydroxy-16-methyl-, (11beta,16beta)-; SMP1_000039; NCGC00179392-03; AS-58067; C06842; D07495; A905224; SR-01000000273; SR-01000000273-4; Beclometasone. Short expiry date due to chemical nature of component(s); 9alpha-Chloro-11beta,17alpha,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione; Pregna-1,4-diene-3,20-dione,9-chloro-11,17,21-trihydroxy-16-methyl-, (11b,16b)-; (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-17-glycoloyl-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; Beclometasone; (1R,2S,10S,11S,13S,14R,15S,17S)-1-Chloro-14-(2-glycoloyl)-14,17-dihydroxy-2,13,15-trimethyltetracyclo[8.7.0.02,7.011,15]heptadeca-3,6-dien-5-one; GXR"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3001	.	DR01368	.	408.9	C22H29ClO5	94.8	805	2.2	28	3	5	2	"1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1"	C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)Cl)C	NBMKJKDGKREAPL-DVTGEIKXSA-N
DG00892	Xipamide	26618	"XIPAMIDE; 14293-44-8; 4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide; Diurexan; Xipamid; Aquaphor; Diurex (lacer); Aquaphor (diuretic); UNII-4S9EY0NUEC; Be 1293; C15H15ClN2O4S; MJF 10,938; Benzamide, 5-(aminosulfonyl)-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-; 4-Chloro-5-sulfamoyl-2',6'-salicyloxylidide; MJF-10938; 4S9EY0NUEC; 2',6'-Salicyloxylidide, 4-chloro-5-sulfamoyl-; BE-1293; 4-Chlor-5-sulfamoyl-2',6'-salicyloxylidid; NCGC00182543-01; Aquaphoril; Zipix; Aquaphor(tm), original formula ointment base; DSSTox_CID_3744; DSSTox_RID_77179; DSSTox_GSID_23744; Chronexan; Xipamida; Xipamidum; Xipamidum [INN-Latin]; Xipamida [INN-Spanish]; Xipamide [USAN:INN:BAN]; CAS-14293-44-8; EINECS 238-216-4; MJF 10938; BRN 2778357; Lumitens; Xipamide (USAN); 4-Chlor-5-sulfamoyl-2',6'-salicyloxylidid [German]; SCHEMBL43532; CHEMBL517199; GTPL7900; DTXSID5023744; CHEBI:135499; ZINC538538; 4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoyl-benzamide; BEI-1293; Tox21_112975; 5-(Aminosulfonyl)-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide; AC-911; MFCD00865927; s5076; AKOS015889012; Tox21_112975_1; CCG-268092; CS-W023041; DB13803; DS-1401; HY-W042301; NCGC00182543-02; FT-0659690; FT-0675876; 4-Chloro-5-sulfamoyl-2',6'-salicyloxilidide; D06341; 293X448; A807988; Q600951; Q-201936; 4-Chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulphamoylbenzamide; 4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoyl-benzamide;Xipamide; 5-(Aminosulfonyl)-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide #; Benzamide,5-(aminosulfonyl)-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135499	.	.	.	354.8	C15H15ClN2O4S	118	526	2.9	23	3	5	3	"1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)"	CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=C(C=C2O)Cl)S(=O)(=O)N	MTZBBNMLMNBNJL-UHFFFAOYSA-N
DG00897	Carbimazole	31072	"Carbimazole; 22232-54-8; Athyromazole; Carbimazol; Neomercazole; Carbethoxymethimazole; Carbinazole; Neo-Thyreostat; Basolest; Thyrostat; Carbimazolum; TYRAZOL; Carbimazolum [INN-Latin]; Ethyl 3-methyl-2-thioimidazoline-1-carboxylate; Carbimazol [INN-Spanish, French]; 1-Ethoxycarbonyl-3-methyl-2-thioxo-4-imidazoline; Ethyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate; 1H-Imidazole-1-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, ethyl ester; UNII-8KQ660G60G; Neo-Mercazole; CHEBI:617099; Atirozidina; Carbotiroid; Mertiran; CG1; 3-Methyl-2-thioxo-4-imidazoline-1-carboxylic acid ethyl ester; 4-Imidazoline-1-carboxylic acid, 3-methyl-2-thioxo-, ethyl ester; Carbimazol spofa; Neo-Tireol; ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate; CHEMBL508102; 8KQ660G60G; Ethyl 3-methyl-2-thionoimidazoline-1-carboxylate; MFCD00027421; NSC-758966; NCGC00016760-01; CAS-22232-54-8; DSSTox_CID_2736; DSSTox_RID_76708; DSSTox_GSID_22736; Carbimazole [INN:BAN:DCF]; Carbimazol henning; Carbimazole (INN); 1-Ethoxycarbonyl-3-methyl-2-thioimidazol; SR-01000872660; Carbimazol henning (TN); EINECS 244-854-4; BRN 0144339; Prestwick_788; 1H-Imidazole-1-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo, ethyl ester; Fenobucarb Bassa BPMC; Prestwick0_000439; Prestwick1_000439; Prestwick2_000439; Prestwick3_000439; Spectrum2_001251; Spectrum3_001968; 3-methyl-1-ethoxycarbonylimidazoline-2-thione; Epitope ID:116890; SCHEMBL44211; BSPBio_000458; BSPBio_003568; 4-24-00-00064 (Beilstein Handbook Reference); MLS004734638; SPECTRUM1505323; SPBio_001182; SPBio_002397; BPBio1_000504; ZINC1091; DTXSID9022736; KBio3_002918; HMS1569G20; HMS1922D12; HMS2096G20; HMS3652G04; HMS3713G20; Pharmakon1600-01505323; BCP12935; HY-B0558; Tox21_110596; Tox21_302320; BDBM50275889; CCG-39106; ethyl 3-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-1-carboxylate; NSC758966; s4048; AKOS001647527; Tox21_110596_1; AC-8348; AM84794; DB00389; MCULE-1170558032; NSC 758966; NCGC00016760-02; NCGC00016760-03; NCGC00016760-04; NCGC00016760-05; NCGC00016760-08; NCGC00095167-01; NCGC00095167-02; NCGC00177988-01; NCGC00177988-02; NCGC00255133-01; AS-13267; BE164282; H765; SMR001233183; SBI-0207026.P001; FT-0602919; SW196926-3; A16427; C07615; C74138; D07616; A816030; Q414013; SR-01000872660-1; SR-01000872660-2; W-107493; BRD-K87156652-001-05-1; BRD-K87156652-001-06-9; ethyl 3-methyl-2-thioxo-imidazole-1-carboxylate;Carbimazole; Ethyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate #; Ethyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate, AldrichCPR"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:617099	DB00389	.	.	186.23	C7H10N2O2S	64.9	240	0.7	12	0	3	2	"1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3"	CCOC(=O)N1C=CN(C1=S)C	CFOYWRHIYXMDOT-UHFFFAOYSA-N
DG00901	Benznidazole	31593	"BENZNIDAZOLE; 22994-85-0; Benznidazol; Radanil; Benzonidazole; Benznidazolum; Ro 07-1051; Rochagan; N-benzyl-2-(2-nitro-1H-imidazol-1-yl)acetamide; N-benzyl-2-(2-nitroimidazol-1-yl)acetamide; N-Benzyl-2-nitroimidazole-1-acetamide; N-Benzyl-2-nitroimidazol-1-yl-acetamide; 2-Nitro-N-(phenylmethyl)-1H-imidazole-1-acetamide; N-Benzyl-2-nitro-1H-imidazole-1-acetamide; Ro 71051; 1H-Imidazole-1-acetamide, 2-nitro-N-(phenylmethyl)-; UNII-YC42NRJ1ZD; Imidazole-1-acetamide, N-benzyl-2-nitro-; YC42NRJ1ZD; CHEMBL110; benzonidazol; MMV688773; NSC299972; NSC-299972; Ro-7-1051; NCGC00166238-01; Ro 07-1051;Ro 71051; DSSTox_CID_26570; DSSTox_RID_81729; DSSTox_GSID_46570; Benznidazol [INN-Spanish]; Benznidazolum [INN-Latin]; SMR000857153; NSC 299972; CAS-22994-85-0; CCRIS 2200; SR-01000841264; N-benzyl-2-nitro-1-imidazoleacetamide; BRN 0551486; Ragonil; Acetamide, N-benzyl-2-(nitroimidazol-1-yl)-; benznidazole (TN); Rochagan (TN); Radanil (TN); Benznidazole (USAN/INN); Benznidazole [USAN:INN]; SCHEMBL45081; MLS001332409; MLS001332410; MLS001360496; DTXSID9046570; SCHEMBL22493029; ZINC56949; CHEBI:133833; HMS2233G13; HMS3369C11; HY-B1548; Tox21_112364; BDBM50089916; MFCD00243089; s3741; AKOS015916722; AKOS024283499; Tox21_112364_1; CCG-267054; DB11989; MCULE-5592629788; NCGC00166238-02; AS-68694; QC-10765; CS-0013411; FT-0662547; RO-07-1051; Benznidazol (Ro 07-1051; Ro 71051); C74184; D02489; N-Benzyl-2-(2-nitro-imidazol-1-yl)-acetamide; N-benzyl-2-(2-nitro-1Himidazol-1-yl)acetamide; A912716; N-benzyl-2-(2-nitro-1H-imidazol-5-yl)acetamide; N-Benzyl-2-nitro-1H-imidazole-1-acetamide, 97%; Q425300; 2-(2-nitroimidazol-1-yl)-N-(phenylmethyl)acetamide; J-014932; SR-01000841264-3; SR-01000841264-4; BRD-K56156805-001-05-4; 1H-Imidazole-1-acetamide, 2-nitro-N-(phenylmethyl)- (9CI); N-Benzyl-2-(2-nitro-imidazol-1-yl)-acetamide (Benznidazole); Pyridinium,1-dodecyl-2-[(hydroxyimino)methyl]-,iodide(1:1)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:133833	DB11989	.	.	260.25	C12H12N4O3	92.7	325	0.9	19	1	4	4	"1S/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17)"	C1=CC=C(C=C1)CNC(=O)CN2C=CN=C2[N+](=O)[O-]	CULUWZNBISUWAS-UHFFFAOYSA-N
DG00904	Amdinocillin	36273	"Mecillinam; AMDINOCILLIN; 32887-01-7; Penicillin HX; Coactin; Hexacillin; Mecillinamum; Mecilinamo; FL 1060; Ro 10-9070; Mecillinam (INN); UNII-V10579P3QZ; Selexidin; (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; V10579P3QZ; Mecillinam [INN]; (2S,5R,6R)-6-[(azepan-1-ylmethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; DSSTox_CID_2584; DSSTox_RID_76643; DSSTox_GSID_22584; Mecilinamo [INN-Spanish]; Mecillinamum [INN-Latin]; (2S,5R,6R)-6-{[(1E)-azepan-1-ylmethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 79580-20-4; SMR000466361; Coactin (TN); Ro 109070; CAS-32887-01-7; FL-1060; MICILLINAM; Amdinocillin (USAN); EINECS 251-277-1; 6-((Hexahydro-1H-azepin-1-yl)methyleneamino)penicillanic acid; Amdinocillin [USAN:USP]; (2S,5R,6R)-6-(((Hexahydro-1H-azepin-1-yl)methylene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; NCGC00164583-01; Ro-10-9070; CHEMBL530; SCHEMBL34387; SCHEMBL34388; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((hexahydro-1H-azepin-1-yl)methylene)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta))-; MLS000759478; MLS001424041; CHEMBL258646; DTXSID3022584; HMS2051E14; ACT03258; HY-A0269; ZINC3830206; Tox21_112209; MFCD00056869; s6584; ZINC12469558; Tox21_112209_1; CCG-100873; DB01163; FS-4354; NC00123; 6beta-[(azepan-1-ylmethylidene)amino]-2,2-dimethylpenam-3alpha-carboxylic acid; NCGC00164583-02; NCGC00188988-01; AC-32602; CS-0017618; C21545; D02888; Mecillinam, VETRANAL(TM), analytical standard; AB01209740-01; BRD-K41051431-001-01-6; Q13019044; 6beta-{[(azepan-1-yl)methylidene]amino}-2,2-dimethylpenam-3alpha-carboxylic acid; (2S,5R,6R)-6-(((E)-Azepan-1-ylmethylene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-((E)-azepan-1-ylmethyleneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01163	.	.	325.4	C15H23N3O3S	98.5	500	2.1	22	1	5	3	"1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/t10-,11+,13-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)O)C	BWWVAEOLVKTZFQ-NTZNESFSSA-N
DG00912	Cefoperazone	44187	"Cefoperazone; 62893-19-0; Cefobid; Cefoperazono; Cefoperazonum; Medocef; Cefob; UNII-7U75I1278D; Cefoperazone (Cefobid); CHEBI:3493; Cefoperazine; MFCD00865067; 7U75I1278D; Cefobid (TN); Cefoperazonum [INN-Latin]; Cefoperazono [INN-Spanish]; 62893-20-3; (6R,7R)-7-((R)-2-(4-Ethyl-2,3-dioxo-1-piperazinylcarboxamido)-2-(4-hydroxyphenyl)acetamido)-3-((1-methyl-1H-tetrazol-5-yl)thiomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure; Cefoperazone (sodium salt); Cefozon; (6R,7R)-7-((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetamido)-3-((1-methyl-1H-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; C25H27N9O8S2; 113826-44-1; Cefoperazone [INN:BAN]; Bioperazone; Cefoperazon; Myticef; Pathozone; Peracef; Cefoperazone,(S); EINECS 263-749-4; Cefoperazone (INN); BRN 0603333; CP 52640; Prestwick0_000327; Prestwick1_000327; Prestwick2_000327; Prestwick3_000327; Peracef [veterinary] (TN); SCHEMBL37056; BSPBio_000333; BIDD:GT0677; SPBio_002254; BPBio1_000367; CHEMBL507674; DTXSID2022759; GTPL12025; HMS2090M09; C25H31N9O10S2; HY-B0210; ZINC3830432; BDBM50390999; s1611; AKOS015895629; CCG-270325; DB01329; NCGC00179599-01; (6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; AS-13298; H832; SW198793-3; Y0421; C-2485; C06883; D07645; 893C190; Cefoperazone, Antibiotic for Culture Media Use Only; Q2325775; BRD-K02292852-335-03-1; (6R,7R)-7-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta(R*)))-; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7R)-; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino](4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,(6R,7R)-; 7beta-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl-3,4-didehydrocepham-4-carboxylic acid; sodium,(6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3493	DB01329	.	.	645.7	C25H27N9O8S2	271	1250	-0.7	44	4	13	9	"1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1"	CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O	GCFBRXLSHGKWDP-XCGNWRKASA-N
DG00914	Butoconazole	47472	"Butoconazole; 64872-76-0; Butaconazole; Butoconazol; Butoconazolum; Butoconazol [INN-Spanish]; Butoconazolum [INN-Latin]; Gynazole-1; CHEBI:3240; NSC-758658; Butoconazole [INN:BAN]; C19H17Cl3N2S; Gynofort; MLS002153798; 1-(4-(4-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-1H-imidazole; 1-[4-(4-Chloro-phenyl)-2-(2,6-dichloro-phenylsulfanyl)-butyl]-1H-imidazole; 1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-1H-imidazole; 1H-Imidazole, 1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-; Gynofort (TN); Butoconazole (INN); MFCD00058159; SMR001233176; RS 35887-10-3; Prestwick0_000408; Prestwick1_000408; Prestwick2_000408; Prestwick3_000408; 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanyl-butyl]imidazole; 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole; 1-{4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole; CHEMBL1295; SCHEMBL44237; BSPBio_000336; 67085-13-6; cid_47471; MLS006010743; SPBio_002275; BPBio1_000370; 1-[(2S)-4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanyl-butyl]imidazole; DTXSID2048537; BDBM79206; HY-B0293A; HMS3264E14; Pharmakon1600-01504140; ALBB-028967; AMY32540; BUTOCONAZOLE, Butoconazole Nitrate; (+-)-1-((4-(p-Chlorophenyl)-2-((2,6-dichlorophenyl)thio)imidazole; NSC758658; s5359; AKOS015900067; CCG-213264; DB00639; NSC 758658; (+-)-1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-1H-imidazole; 1H-Imidazole, 1-(4-(4-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-, (+-)-; NCGC00179596-01; NCGC00179596-04; AC-15961; K049; SMR001550002; DB-054743; AB00513831; CS-0013455; FT-0630751; C08065; D07598; AB00513831-07; AB00513831_08; AB00513831_09; Butoconazole, VETRANAL(TM), analytical standard; 872B760; A834909; Q2928948; BRD-A16665823-001-01-2; BRD-A16665823-008-03-3; 1-(4-(4-chlorophenyl)-2-(2,6-dichlorophenylthio)butyl)-1H-imidazole; 1-[2-[(2,6-Dichlorophenyl)thio]-4-(4-chlorophenyl)butyl]-1H-imidazole; 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imid-azole; 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenylthio)-n-butyl]-imidazole; (.+/-.)-1-[4-(p-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]imidazole; 1-(4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl)-1H-imidazole #; 1H-Imidazole, 1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-, (1)-; 1H-Imidazole, 1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-, nitrate (1:1)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3240	DB00639	.	.	411.8	C19H17Cl3N2S	43.1	383	6.4	25	0	2	7	"1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2"	C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl	SWLMUYACZKCSHZ-UHFFFAOYSA-N
DG00916	Naftifine	47641	"Naftifine; 65472-88-0; Naftifin; Naftifinum; Naftifina; (E)-N-Cinnamyl-N-methyl-1-naphthalenemethylamine; UNII-4FB1TON47A; CHEMBL626; 4FB1TON47A; CHEBI:7451; (E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine; Naftifine [INN:BAN]; Naftifina [INN-Spanish]; Naftifinum [INN-Latin]; Naftifine (INN); (E)-N-methyl-N-(1-naphthylmethyl)-3-phenyl-prop-2-en-1-amine; (E)-N-Cinnamyl-N-methyl-1-naphthylmethylamin; (E)-N-Cinnamyl-N-methyl-1-naphthalinmethylamin; Naft-500; Prestwick2_001063; Prestwick3_001063; SN 105-843; 1-Naphthalenemethanamine, N-methyl-N-(3-phenyl-2-propenyl)-, (E)-; SCHEMBL49141; BSPBio_001046; BPBio1_001152; SCHEMBL3692459; DTXSID6048545; CHEBI:93305; ZINC1530977; BDBM50170647; STL483692; AKOS025310693; N-Methyl-N-(1-naphthyl methyl)-3-phenyl-2-propen-1-amine(E), hydrochloride; NCGC00179332-01; AC-22577; AB00514711; C08071; D08245; AB00514711_07; AB00514711_08; 472N880; A934003; Q413586; trans-N-cinnamyl-N-methyl-(1-naphthylmethyl)amine; Methyl-naphthalen-1-ylmethyl-(3-phenyl-allyl)-amine; BRD-K43813806-003-01-0; BRD-K74141488-003-03-9; N-(3-Phenylallyl)-N-methylnaphthalene-1-methaneamine; Methyl-naphthalen-1-ylmethyl-((E)-3-phenyl-allyl)-amine; (2E)-N-methyl-N-(1-naphthylmethyl)-3-phenylprop-2-en-1-amine; (2E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7451	DB00735	.	.	287.4	C21H21N	3.2	342	5.1	22	0	1	5	"1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/b11-8+"	CN(C/C=C/C1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32	OZGNYLLQHRPOBR-DHZHZOJOSA-N
DG00917	Triclabendazole	50248	"Triclabendazole; 68786-66-3; Fasinex; 6-Chloro-5-(2,3-dichlorophenoxy)-2-(methylthio)-1H-benzo[d]imidazole; UNII-4784C8E03O; 6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole; NVP-EGA230; CPD000466357; EGA230B; MLS001424101; CHEMBL1086440; CGA89317; 4784C8E03O; NSC-759250; NCGC00164610-01; Triclabendazol; SMR000466357; 5-Chloro-6-(2,3-dichlorophenoxy)-2-(methylthio)benzimidazole; Egaten; Triclabendazolum; 6-chloro-5-(2,3-dichlorophenoxy)-2-(methylthio)-1H-benzimidazole; 6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1H-benzimidazole; 5-CHLORO-6-(2,3-DICHLOROPHENOXY)-2-(METHYLSULFANYL)-1H-1,3-BENZODIAZOLE; Triclabendazol [INN-Spanish]; Triclabendazolum [INN-Latin]; CCRIS 8988; CGA 89317; 5-Chloro-6-(2,3-dichlorophenoxy)-2-(methylthio)-1H-benzimidazole; 5-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole; 6-Chloro-5-(2,3-dichlorophenoxy)-2-methylthio-benzimidazole; Fasinex (TN); Egaten (TN); 1H-BENZIMIDAZOLE, 5-CHLORO-6-(2,3-DICHLOROPHENOXY)-2-(METHYLTHIO)-; DSSTox_CID_23952; DSSTox_RID_80094; DSSTox_GSID_43952; Oprea1_236106; Triclabendazole (USAN/INN); cid_50248; MLS000759473; MLS000876812; SCHEMBL165712; DTXSID7043952; BDBM58491; CHEBI:94759; Triclabendazole [USAN:INN:BAN]; HMS2051E16; HMS2232D14; HMS3370H02; HMS3393E16; HMS3652M16; HMS3715P16; HMS3744I09; KUC103451N; Pharmakon1600-01505786; HY-B0621; ZINC1444556; Tox21_112231; 5-Chloro-6-(2,3-dichlorophenoxy)-2-(methylsulfanyl)-1H-benzimidazole; CGA-89317; MFCD00864519; NSC759250; s4114; STK332284; AKOS005439340; AKOS015950804; AC-7627; AT10531; CCG-100881; CCG-268150; DB12245; KS-5329; MCULE-8131756770; NC00131; NSC 759250; SB17173; NCGC00164610-02; I018; SBI-0207022.P001; CAS-68786-66-3; FT-0602564; SW197511-2; T2826; Triclabendazole 100 microg/mL in Acetonitrile; D07364; AB00639964-10; AB00639964_12; AB00639964_13; 786T663; A836250; Q419739; SR-01000759363; SR-01000759363-4; Triclabendazole, VETRANAL(TM), analytical standard; BRD-K81916719-001-05-5; 6-Chloro-5-(2,3-dichlorophenoxy)-2-(methylthio)benzimidazole; Triclabendazole, EuropePharmacopoeia (EP) Reference Standard; 5-Chloro-6-(2',3'-dichlorophenoxy)-2-(methylthio)benzimidazole; 5-chloro-6-(2,3-dichlorophenoxy)-2-(methylthio)-1H-benzo[d]imidazole; 6-chloro-5-(2,3-dichlorophenoxy)-2-(methylsulfanyl)-1H-1,3-benzodiazole; 6-chloro-5-(2,3-dichlorophenoxy)-2-(methylsulfanyl)-1H-benzimidazole; 5-[2,3-bis(chloranyl)phenoxy]-6-chloranyl-2-methylsulfanyl-1H-benzimidazole; 6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole;Triclabendazole; Triclabendazole for system suitability, EuropePharmacopoeia (EP) Reference Standard; JA9"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94759	DB12245	.	DR1639	359.7	C14H9Cl3N2OS	63.2	365	5.7	21	1	3	3	"1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)"	CSC1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl	NQPDXQQQCQDHHW-UHFFFAOYSA-N
DG00918	Doxofylline	50942	"DOXOFYLLINE; 69975-86-6; Doxophylline; Ansimar; Dioxyfilline; Maxivent; Ventax; UNII-MPM23GMO7Z; ABC 12/3; 7-(1,3-Dioxolan-2-ylmethyl)theophylline; MPM23GMO7Z; Theophylline, 7-(1,3-dioxolan-2-ylmethyl)-; 7-((1,3-dioxolan-2-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione; MFCD00865218; NSC-759645; NCGC00159330-02; DSSTox_CID_2968; 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione; DSSTox_RID_76810; DSSTox_GSID_22968; Doxofilina; Doxofyllinum; Doxofylline [USAN:INN]; Doxofilina [INN-Spanish]; Doxofyllinum [INN-Latin]; 7-((1,3-dioxolan-2-yl)methyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione; CAS-69975-86-6; SR-01000789760; EINECS 274-239-6; BRN 0561195; Synasma; 2-(7'-Theophyllinemethyl)-1,3-dioxolane; Doxofylline,(S); Maxivent (TN); 2-(7'-Teofillinmetil)-1,3-diossolano [Italian]; 2-(7'-Teofillinmetil)-1,3-diossolano; Doxofylline (USAN/INN); 1H-Purine-2,6-dione, 7-(1,3-dioxolan-2-ylmethyl)-3,7-dihydro-1,3-dimethyl-; 7-(1,3-Dioxolon-2-ylmethyl)-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-purindion; SCHEMBL37963; 5-26-14-00120 (Beilstein Handbook Reference); MLS001214637; ZINC3837; CHEMBL1527608; DTXSID7022968; CHEBI:94714; Doxofylline, >=98% (HPLC); 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione; HMS2090E04; HMS2877P10; HMS3652H03; HMS3714M21; HMS3885B09; Pharmakon1600-01502358; ABC-12/3; ABC-1213; BCP12155; HY-B0004; Tox21 111577; Tox21_111577; BBL012263; DO-309; NSC759645; s4164; STK735429; 7-(1,3-dioxolan-2-ylmethyl)-3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione; AKOS005535592; Tox21_111577_1; AC-3492; CCG-213050; CS-8019; DB09273; DS-7424; MCULE-4193802883; NSC 759645; NCGC00159330-03; NCGC00159330-04; NCGC00159330-10; BD164389; H488; SMR000543614; D4302; FT-0630792; SW199176-2; D03898; D90272; AB00828111-06; AB00828111_07; AB00828111_08; 975D866; A836720; L001990; Q425887; 7-(1,3-Dioxolan-2-ylmethyl)-1,3-dimethylxanthine; SR-01000789760-2; SR-01000789760-3; 7-(1,3-Dioxolan-2-ylmethyl)-1,3-dimethyl-1H-purine-2,6-dione; Doxofylline, United States Pharmacopeia (USP) Reference Standard; 1H-Purine-2,6-dione, 3,7-dihydro-7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl- (9CI); 7-[(1,3-dioxolan-2-yl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94714	DB09273	.	DR0545	266.25	C11H14N4O4	76.9	398	-0.9	19	0	5	2	"1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3"	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3	HWXIGFIVGWUZAO-UHFFFAOYSA-N
DG00919	Cefaclor	51039	"Cefaclor; 53994-73-3; Cephaclor; Ceclor; Cefaclorum; Cefaclor anhydrous; Kefral; Panoral; Raniclor; Cefaclorum [INN-Latin]; UNII-3Z6FS3IK0K; 3-Chloro-7-D-(2-phenylglycinamido)-3-cephem-4-carboxylic acid; S 6472; Cefaclor Impurity C; CHEBI:3478; CCL; 3Z6FS3IK0K; MLS000069617; (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 143059-69-2; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-aminophenylacetyl]amino]-3-chloro-8-oxo-, (6R,7R)-; 53994-73-3 (free); MFCD00151471; (6R,7R)-7-((R)-2-amino-2-phenylacetamido)-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; NCGC00022612-04; Alfacet; SMR000058250; DSSTox_CID_2748; DSSTox_RID_76713; DSSTox_GSID_22748; Dystaclor MR; L-Kefral; Ceclor CD; Alenfral (TN); Cefaclor [INN]; (6R,7R)-7-((R)-2-Amino-2-phenylacetamido)-3-chloro-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7R)-7-[(2R)-2-amino-2-phenylacetamido]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; CAS-53994-73-3; NSC-757422; S-6472; Cefaclor,(S); EINECS 258-909-5; Cefaclor (JP17); Spectrum_001070; SpecPlus_000947; Prestwick0_000485; Prestwick0_001102; Prestwick1_000485; Prestwick1_001102; Prestwick2_000485; Prestwick2_001102; Prestwick3_000485; Prestwick3_001102; Spectrum2_001189; Spectrum3_001858; Spectrum4_000093; Spectrum5_001727; CHEMBL680; Epitope ID:117133; SCHEMBL33540; BSPBio_000349; BSPBio_001204; BSPBio_003276; KBioGR_000386; KBioSS_001550; cid_51039; MLS001424193; DivK1c_007043; SPECTRUM1500771; SPBio_001237; SPBio_002270; SPBio_003082; BPBio1_000385; BPBio1_001326; DTXSID3022748; BDBM42131; KBio1_001987; KBio2_001550; KBio2_004118; KBio2_006686; KBio3_002777; BCPP000294; HMS1571M06; HMS1921G22; HMS2052C11; HMS2092K08; HMS2233M13; Pharmakon1600-01500771; HY-B0198; ZINC3812869; Tox21_110880; CCG-40264; NSC757422; AKOS024282614; Tox21_110880_1; BCP9000501; Cefaclor, analytical reference material; DB00833; NC00354; 7beta-{[(2R)-2-amino-2-phenylacetyl]amino}-3-chloro-3,4-didehydrocepham-4-carboxylic acid; NCGC00015260-22; NCGC00022612-05; NCGC00022612-06; NCGC00022612-07; NCGC00022612-10; NCGC00022612-11; 7-((2R)-2-amino-2-phenylacetylamino)(7R,7aR)-3-chloro-6-oxo-2H,7H-azetidino[2, 1-b]1,3-thiazine-4-carboxylic acid; AS-74992; SBI-0051606.P002; AB00052174; C-2461; C06877; D00256; AB00052174_15; AB00052174_16; Cefaclor, Antibiotic for Culture Media Use Only; A900728; Q415167; SR-05000001556; SR-05000001556-1; BRD-K20338176-002-03-5; 7-(D-2-AMINO-2-PHENYLACETAMIDO)-3-CHLORO-3-CEPHEM-4-CARBOXYLIC; (6R,7R)-7-((S)-2-amino-2-phenylacetamido)-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[(R)-2-AMINO-2-PHENYLACETAMIDO]-3-CHLORO-8-OXO-5-THIA-1-AZABICYCLO[4,2,0]OCT-2-ENE-2-CARBOXYLIC ACID; (6R,7R)-7-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2R)-2-azaniumyl-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((aminophenylacetyl)amino)-3-chloro-8-oxo-, (6R-(6-alpha,7-beta(R*)))-; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-, (6R,7R)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3478	DB00833	DR00259	.	367.8	C15H14ClN3O4S	138	606	-1.8	24	3	6	4	"1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1"	C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)Cl	QYIYFLOTGYLRGG-GPCCPHFNSA-N
DG00924	Mifepristone	55245	"Mifepristone; 84371-65-3; Mifegyne; Mifeprex; RU-486; Corlux; Korlym; RU486; RU 486; RU 38486; Mifepriston; RU-38486; UNII-320T6RNW1F; MLS000069785; 320T6RNW1F; VGX-410C; CHEBI:50692; VGX-410; NCGC00025179-05; SMR000058481; Mifepristonum [Latin]; Mifepristona [Spanish]; DSSTox_CID_3322; C-1073; DSSTox_RID_76976; DSSTox_GSID_23322; (11beta,17beta)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one; (8S,11R,13S,14S,17S)-11-(4-(dimethylamino)phenyl)-17-hydroxy-13-methyl-17-(prop-1-yn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one; (8S,11R,13S,14S,17S)-11-(4-dimethylaminophenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one; (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one; 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE; Mifepristona; Mifepristonum; (11beta,17beta)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-prop-1-yn-1-ylestra-4,9-dien-3-one; RU486 (tetramethyl-rhodamine conjugated); Mifepristone [USAN:INN:BAN]; HSDB 6841; SR-01000076011; R 38486; BRN 5779404; Pictovir; RU 486-6; CCRIS 9332; 1nhz; NSC-759862; 11beta-(p-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one; Mifeprex (TN); Pictovir (TM); Prestwick_570; CAS-84371-65-3; Korlym (TN); 2w8y; Mifepristone (Mifeprex); Opera_ID_562; Mifepristone, >=98%; Prestwick0_000299; Prestwick1_000299; Prestwick2_000299; Prestwick3_000299; Spectrum5_002045; 11beta-(4-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-on; 17-beta-Hydroxy-11-beta-(4-dimethylaminophenyl-1)-17-alpha-(prop-1-ynyl)oestra-4,9-dien-3-one; BIDD:PXR0123; Lopac0_000801; SCHEMBL16087; BSPBio_000238; 11beta-(4-(Dimethylamino)phenyl)-17-hydroxy-21-methyl-19-nor-17alpha-pregna-4,9-dien-20-m-3-on; 11beta-(4-(N,N-Dimethylamino)phenyl)-17alpha-(prop-1-ynyl)-delta4,9-estradiene-17beta-ol-3-one; MLS001074115; MLS001424271; (non-labelled)Mifepristone-d3; SPBio_002457; RU-486; MIFEPRISTONE; BPBio1_000262; CHEMBL438575; GTPL2805; Mifepristone (JAN/USAN/INN); CHEMBL1276308; DTXSID5023322; BDBM18627; AOB6893; HMS1568L20; HMS2052L05; HMS2090L22; HMS2095L20; HMS2230P21; HMS3262B03; HMS3412D17; HMS3649J08; HMS3676D17; HMS3712L20; HMS3884D12; ACT02598; BCP02145; ZINC3831128; Tox21_110952; Tox21_301841; Tox21_500801; BDBM50072024; HSCI1_000369; MFCD00867226; s2606; VX-410; AKOS015895416; Tox21_110952_1; CCG-101164; CI-1073; CS-1435; DB00834; LP00801; NC00414; NSC 759862; SDCCGSBI-0050778.P002; Mifepristone 1.0 mg/ml in Acetonitrile; NCGC00025179-06; NCGC00025179-07; NCGC00025179-08; NCGC00025179-09; NCGC00025179-12; NCGC00025179-13; NCGC00025179-23; NCGC00179632-01; NCGC00255152-01; NCGC00261486-01; (11beta,17beta)-11-(4-(Dimethylamino)phenyl)-17-hydroxy-17-(1-propynyl)-estra-4,9-dien-3-one; AS-13938; CPD000058481; Estra-4,9-dien-3-one, 11-(4-(dimethylamino)phenyl)-17-hydroxy-17-(1-propynyl)-, (11-beta,17-beta)-; HY-13683; RU486;C-1073; EU-0100801; C07652; D00585; M 8046; 371M653; A840767; Q411240; SR-01000721888; Q-201405; SR-01000076011-1; SR-01000076011-3; SR-01000076011-5; SR-01000076011-9; SR-01000721888-4; BRD-K37270826-001-04-5; BRD-K37270826-001-31-8; Mifepristone, United States Pharmacopeia (USP) Reference Standard; (11 ,17 )-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(1-propynyl)-estra-4,9-dien-3-one; 11.beta.-[4-(Dimethylamino)phenyl]-17.beta.-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one; 11beta-(4-Dimethyl-amino)-phenyl-17beta-hydroxy-17-(1-propynyl)-estra-4,9-dien-3-one; 11ss-[p-(Dimethylamino)fenyl]-17ss-hydroxy- 17-(1-propynyl)estra-4,9-dien-3-on; (10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadeca-1,6-dien-5-one; (10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one; (11R,13S,14S,17S)-11-(4-Dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one; (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-13-methyl-17-oxidanyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one; 122742-25-0; 83203-42-3; Estra-4,9-dien-3-one, 11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(1-propynyl)-, (11b,17b)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:50692	DB00834	DR00714	DR1091	429.6	C29H35NO2	40.5	921	3.8	32	1	3	3	"1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1"	CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O	VKHAHZOOUSRJNA-GCNJZUOMSA-N
DG00931	Esmolol	59768	"ESMOLOL; 81147-92-4; 103598-03-4; (+-)-Esmolol; Brevibloc; ASL 8052-001; methyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate; Methyl 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoate; Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, methyl ester; CHEBI:88206; Esmolol [INN:BAN]; methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate; Esmolol (INN); NCGC00185766-01; BRN 5287174; SR-01000763706; Benzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, methyl ester; (+/-)-esmolol; CHEMBL768; SCHEMBL3605; GTPL7178; DTXSID4022995; HMS2090P06; HMS3743M15; HMS3886F03; methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate; BDBM50404796; methyl 3-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)propanoate; MFCD00864566; s5778; AKOS015960734; methyl 3-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)propanoate; methyl 3-[4-({2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]propanoate; DB00187; SL-8052; MRF-0000253; NCGC00185766-02; NCGC00185766-05; AC-12058; ASL-8052-001; DB-015362; E1106; FT-0630886; C06980; D07916; D90594; AB00698516-07; AB00698516-09; AB00698516_10; 147E924; L001332; Q418139; SR-01000763706-3; (+/-)-methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate; Methyl 3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propionate; 3-[4-(2-Hydroxy-3-isopropylamino-propoxy)-phenyl]-propionic acid methyl ester; 3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propionic Acid Methyl Ester; Methyl 3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propionate / 3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propionic Acid Methyl Ester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:88206	DB00187	DR00853	DR0626	295.37	C16H25NO4	67.8	288	1.9	21	2	5	10	"1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3"	CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O	AQNDDEOPVVGCPG-UHFFFAOYSA-N
DG00933	Doxacurium	60169	"Doxacurium; bis[3-[6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] butanedioate; 106791-39-3; Doxacurium ion; Doxacurium cation; C07549; CHEBI:4706; CHEMBL1237123; SCHEMBL10119676; DB01135; L000825"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4706	DB01135	.	.	1035.2	C56H78N2O16+2	163	1540	7.4	74	0	16	29	"1S/C56H78N2O16/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6/h29-34,39-40H,15-28H2,1-14H3/q+2"	C[N+]1(CCC2=CC(=C(C(=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC)CCCOC(=O)CCC(=O)OCCC[N+]4(CCC5=CC(=C(C(=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)OC)C	GBLRQXKSCRCLBZ-UHFFFAOYSA-N
DG00937	Atorvastatin	60823	"Atorvastatin; 134523-00-5; Cardyl; Lipitor; Torvast; ATORVASTATIN CALCIUM; 110862-48-1; UNII-A0JWA85V8F; (3R,5R)-7-(2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid; CI 981; Lipitor (TN); Tozalip; Xavator; A0JWA85V8F; CHEMBL1487; (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid; (R-(R*,R*))-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrole-1-heptanoic acid; CHEBI:39548; (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid; 134523-03-8; Atorvastatin [INN:BAN]; 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, (R-(R*,R*))-; 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID; Atorvastatin calcium salt; atorvastatina; atorvastatine; atrovastin; Atofast; Atorcor; Atorlip; Lipilou; Lipinon; Atorin; Ator; Lipitor(TM); (3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid; (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid; (3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid; Atorvastatin (INN); Sortis (TN); CCRIS 7159; MFCD00899261; C33H35FN2O5; HSDB 7039; NCGC00159458-03; atorvastatinum; rel-Atorvastatin; (betaR,deltaR)-2-(p-Fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoic acid; Atorvastatin & Primycin; DSSTox_CID_9868; SCHEMBL3831; DSSTox_RID_78825; DSSTox_GSID_29868; BIDD:GT0336; Atorvastatin (Relative Stereo); GTPL2949; DTXSID8029868; BDBM22164; DTXSID60274003; HMS3715L05; HMS3886C20; Lipilou; Tozalip; Torvast; Cardyl; (3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid; ACT03225; HY-B0589; ZINC3920719; Tox21_302417; s5715; AKOS000281127; AC-9386; CCG-221172; DB01076; MCULE-2368532812; MRF-0000761; NCGC00159458-02; NCGC00159458-20; NCGC00255181-01; (3R,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid; 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, (betaR,deltaR)-; 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID; AS-35260; H942; CAS-134523-00-5; C06834; D07474; 523A005; A802259; A806791; A806793; Q668093; SR-01000872702; SR-01000872702-1; BRD-K69726342-001-02-6; UNII-36TN91XZ0V component XUKUURHRXDUEBC-KAYWLYCHSA-N; (3R,5R)-7-[2-(4-FLUOROPHENYL)-3-PHENYL-4-(PHENYLCARBAMOYL)-5-PROPAN-2-YL-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID; (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid; (3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-4-phenyl-2-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid; 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, (beta-R,delta-R)-;; sodium 7-[5-(4-fluorophenyl)-2-isopropyl-4-phenyl-3-(phenylcarbamoyl)-2,3-dihydropyrrol-1-yl]-3,5-dihydroxy-heptanoate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:39548	DB01076	DR00030	.	558.6	C33H35FN2O5	112	822	5	41	4	6	12	"1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1"	CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4	XUKUURHRXDUEBC-KAYWLYCHSA-N
DG00938	Valsartan	60846	"Valsartan; 137862-53-4; Diovan; Tareg; CGP 48933; Provas; Exforge; (S)-2-(N-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid; CGP-48933; 137863-60-6; UNII-80M03YXJ7I; MFCD00865840; (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid; N-(p-(o-1H-Tetrazol-5-ylphenyl)benzyl)-N-valeryl-L-valine; CHEMBL1069; 80M03YXJ7I; CHEBI:9927; (s)-2-(n-((2'-(1h-tetrazol-5-yl)biphenyl-4-yl)methyl)pentanamido)-3-methylbutanoic acid; L-Valine, N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-; NSC-758927; Kalpress; Miten; Nisis; Vals; (S)-N-valeryl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]-methyl}-valine; L-Valine, N-(1-oxopentyl)-N-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-; N-(1-oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-L-valine; N-[p-(o-1H-Tetrazol-5-ylphenyl)benzyl]-N-valeryl-L-valine; Valzaar; Valtan; [3H]valsartan; (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid; SMR000466318; Diovan (TN); Prexxartan; Valpression; Varexan; HSDB 7519; L-Valine, N-(1-oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-; Valsartan [USAN:USP:INN:BAN]; Valsartan,(S); Valsartan- Bio-X; (2S)-3-Methyl-2-(pentanoyl-((4-(2-(2H-tetrazol-5-yl)phenyl)phenyl)methyl)amino)butanoic acid; (2S)-3-methyl-2-[pentanoyl-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid; valsartan (Diovan); Spectrum_001796; Spectrum2_001120; Spectrum3_001831; Spectrum4_000749; Spectrum5_001582; Prexxartan (oral solution); EC 604-045-2; SCHEMBL2542; BSPBio_003501; GTPL593; KBioGR_001078; KBioSS_002289; MLS000759423; MLS001424088; BIDD:GT0345; SPECTRUM1505209; SPBio_001260; Valsartan (JP17/USP/INN); GTPL3937; Valsartan, >=98% (HPLC); KBio2_002287; KBio2_004855; KBio2_007423; KBio3_003006; EZR-104; VAL-489; HMS1922L21; HMS2051L12; HMS2093K22; HMS2232F05; HMS3651E04; HMS3715P12; Pharmakon1600-01505209; ACT02671; BCP05184; ZINC3875259; BDBM50049186; NSC758927; s1894; AKOS015914315; AKOS015994698; AC-4543; AM90287; CCG-101028; CCG-221275; CS-1967; DB00177; DS-1248; KS-1194; MCULE-6728882368; NC00278; NSC 758927; N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-L-valine; NCGC00178027-08; NCGC00178027-11; BV164506; HY-18204; I997; SBI-0206738.P001; SW197658-2; V-120; 62V534; D00400; J10013; AB00639940-06; AB00639940-08; AB00639940_09; AB00639940_11; Q155472; SR-05000001928; J-007068; SR-05000001928-1; BRD-K45158365-001-02-3; BRD-K45158365-001-05-6; Valsartan, European Pharmacopoeia (EP) Reference Standard; N-Valeryl-N-[2'-(5-tetrazolyl)biphenyl-4-ylmethyl]-L-valine; Valsartan, United States Pharmacopeia (USP) Reference Standard; N-Valeryl-N-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-L-valine; Valsartan, Pharmaceutical Secondary Standard; Certified Reference Material; (5)-2-{N-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]pentanamido}-3-methylbutanoic acid; (S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid; 3-Methyl-2-{pentanoyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-yl]-amino}-butyric acid; L-Valine,N-(1-oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-yl]methyl]- (9CI); N-(1-oxopentyl)-N-[[2'-(1h-tetrazol-5-yl) [1,1'-bi-phenyl]-4-yl]methyl]-l-valine; N-(1-Oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-(L)-valine; N-(1-OXOPENTYL)-N-[[2'-(2H-TETRAZOL-5-YL)[1,1'-BIPHENYL]-4-YL]METHYL]-L-VALINE; N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl}-L-valine; Valsartan for peak identification, European Pharmacopoeia (EP) Reference Standard; Valsartan for system suitability, European Pharmacopoeia (EP) Reference Standard; (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid; Diovan; Tareg; Provas; Exforge; N-(p-(o-1H-Tetrazol-5-ylphenyl)benzyl)-N-valeryl-L-valine; (2S)-3-methyl-2-[N-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoic acid; (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid.; (2S)-3-Methyl-2-{N-pentanoyl-N'-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butanoic acid; (2S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid; (S)-2-(N-((2'-(2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid; (s)-3-methyl-2-[N-({4-[2-(2h-1,2,3,4-tetrazol-5-yl) phenyl]phenyl}methyl)pentanamido]butanoic acid; (S)-3-methyl-2-[N-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoic acid; (s)-3-methyl-2-{pentanoyl-[-2'-(1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid; (S)-3-Methyl-2-{pentanoyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid; (S)-3-Methyl-2-{pentanoyl-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid; (S)-N-(1-carboxy-2-methyl-prop-1-yl)-N-pentanoyl-N-[2'(1H-tetrazol-5-yl)biphenyl-4-yl-methyl]amine; (S)-N-(1-carboxy-2-methyl-prop-1-yl)-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amine; (S)-N-(1-Carboxy-2-methyl-prop-1-yl)-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-amine; 2-{[2''-(2,3-Dihydro-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-pentanoyl-amino}-3-methyl-butyric acid; 3-Methyl-2-{((S)-pentanoyl)-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid; U35"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9927	DB00177	DR00071	DR1668	435.5	C24H29N5O3	112	608	4.4	32	2	6	10	"1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1"	CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O	ACWBQPMHZXGDFX-QFIPXVFZSA-N
DG00941	Trovafloxacin	62959	"Trovafloxacin; 147059-72-1; TVFX; Trovafloxacin [INN]; UNII-9F388J00UK; Trovafloxacin (INN); 7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; CP-99219; CHEBI:9763; 9F388J00UK; 7-[(1R,5S,6s)-6-Amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; Trovan (oral); 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; Fluorinated quinolone; CP-99,219; trovafloxacine; trovafloxacino; trovafloxacinum; 7-((1R,5S,6S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; TR6; CP99219; CHEMBL428; SCHEMBL34465; SCHEMBL34466; 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; SCHEMBL9177464; DTXSID0041145; EX-A897; BCP12644; HY-A0170; MFCD00871697; ZINC12503149; AKOS000277872; AKOS015909896; ZINC100030989; ZINC147175374; DB00685; (1alpha,5alpha,6alpha)-7-(6-Amino-3-azabicyclo[3.1.0]hex-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; 1,8-Naphthyridine-3-carboxylic acid, 7-[(1alpha,5alpha,6alpha)-6-amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-; 7-((1R,5S)-6-Amino-3-aza-bicyclo[3.1.0]hex-3-yl)-1-(2,4-difluoro-phenyl)-6-fluoro-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid; CS-0017509; C07664; D08654; A935288; Q544393; 1,8-Naphthyridine-3-carboxylic acid, 7-(1.alpha.,5.alpha.,6.alpha.)-6-amino-3-azabicyclo3.1.0hex-3-yl-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-; 1,8-Naphthyridine-3-carboxylic acid, 7-(6-amino-3-azabicyclo[3.1.0]hex-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, (1alpha,5alpha,6alpha)-; 7-[(1.alpha.,5.alpha.,6.alpha.)-6-amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid; 7-[(1alpha,5alpha)-6beta-Amino-3-azabicyclo[3.1.0]hexane-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid; 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9763	DB00685	.	.	416.4	C20H15F3N4O3	99.8	770	0.3	30	2	10	3	"1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/t10-,11+,16 "	C1[C@@H]2[C@@H](C2N)CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F	WVPSKSLAZQPAKQ-SOSAQKQKSA-N
DG00945	Ceftezole	65755	"Ceftezole; 26973-24-0; Ceftezol; Ceftezolum; UNII-2Z86SYP11W; Ceftezole [INN]; ceftezole sodium; 2Z86SYP11W; (6R,7R)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; Ceftezole (INN); Demethylcefazolin; (6R,7R)-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; demethyl cefazolin; CG-B 3 Q; NCGC00182064-02; Ceftezol [INN-Spanish]; Ceftezolum [INN-Latin]; C13H12N8O4S3; MLS006010107; SCHEMBL147529; CHEMBL1697829; DTXSID0022771; J01DB12; CHEBI:135716; BCP12070; HY-N7095; ZINC3830473; MFCD00274176; s5289; AKOS037643294; CCG-269124; DB13821; AS-13011; H011; SMR004701245; CS-0077833; D07656; 973C240; A818761; J-016638; Q5057295; (6R,7R)-3-((1,3,4-thiadiazol-2-ylthio)methyl)-7-(2-(1H-tetrazol-1-yl)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-8-Oxo-7-(2-(1H-tetrazol-1-yl)acetamido)-3-((1,3,4-thiadiazol-2-ylthio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7R)-8-oxo-7-[[1-oxo-2-(1-tetrazolyl)ethyl]amino]-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;Ceftezole; (6R,7R)-8-oxo-7-[2-(1H-tetrazol-1-yl)acetamido]-3-[(1,3,4-thiadiazol-2-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-[2-(1H-tetrazol-1-yl)acetamido]-3-[(1,3,4-thiadiazol-2-ylsulfanyl)methyl]-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135716	.	.	.	440.5	C13H12N8O4S3	235	709	-0.7	28	2	12	7	"1S/C13H12N8O4S3/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25)/t8-,11-/m1/s1"	C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CN3C=NN=N3)C(=O)O)CSC4=NN=CS4	DZMVCVMFETWNIU-LDYMZIIASA-N
DG00946	Milnacipran	65833	"Milnacipran; 92623-85-3; Dextromilnacipran; Levomilnacipran; Milnacipranum [Latin]; UNII-ES1O38J3C4; 96847-55-1; F 2207; (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide; ES1O38J3C4; Dalcipran; (+-)-Milnacipran; F2207; Milnacipranum; Milnace; (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide; (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenyl-cyclopropane-1-carboxamide; Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-diethyl-1-phenyl-,(1R,2S)-rel-; (-)-milnacipran; Milnacipran [INN:BAN]; ( )-Milnacipran; Milnacipran (INN); F2696; Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-diethyl-1-phenyl-, cis-(+-)-; SCHEMBL8099; CHEMBL252923; DTXSID3048287; BDBM86420; CHEBI:94468; ZINC14037; HY-B0168; (+-)-cis-2-(Aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide; NCGC00165825-01; HY-14794; R211; CAS_92623-85-3; CS-0003566; C16729; D08222; AB00640027_06; 623M853; Q421058; UNII-G56VK1HF36 component GJJFMKBJSRMPLA-HIFRSBDPSA-N; F0F"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94468	DB04896	.	DR2421	246.35	C15H22N2O	46.3	295	1.4	18	1	2	5	"1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1"	CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)C2=CC=CC=C2	GJJFMKBJSRMPLA-HIFRSBDPSA-N
DG00951	Brodimoprim	68760	"Brodimoprim; 56518-41-3; Brodimoprima; Brodimoprime; Brodimoprimum; Ro 10-5970; 5-(4-bromo-3,5-dimethoxybenzyl)pyrimidine-2,4-diamine; Brodimoprim [INN]; 2,4-Diamino-5-(4-bromo-3,5-dimethoxybenzyl)pyrimidine; Ro 105970; UNII-V1YC7T6LLI; V1YC7T6LLI; CHEMBL31891; Bromdimoprim; Unitrim; 5-((4-Bromo-3,5-dimethoxyphenyl)methyl)-2,4-pyrimidinediamine; 2,4-Pyrimidinediamine, 5-[(4-bromo-3,5-dimethoxyphenyl)methyl]-; Brodimoprim (INN); Hyprim; 2,4-Pyrimidinediamine, 5-((4-bromo-3,5-dimethoxyphenyl)methyl)-; Brodimoprime [INN-French]; Brodimoprimum [INN-Latin]; Brodimoprima [INN-Spanish]; Ro-10-5970; EINECS 260-238-8; BRN 0760113; Brodimoprim-[d6]; 5-[(4-bromo-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine; SCHEMBL49613; 5-25-13-00394 (Beilstein Handbook Reference); ZINC5824; DTXSID20205070; CHEBI:131726; 5-[(4-bromo-3,5-dimethoxy-phenyl)methyl]pyrimidine-2,4-diamine; BDBM50027970; AKOS016013929; DB13795; NCGC00238470-01; DA-04825; HY-121341; CS-0081497; FT-0663605; D07238; 518B413; Q4973047; 5-(3,5-Dimethoxy-4-bromobenzyl)-2,4-diaminopyrimidine; 2,4-diamino-5-(4-bromo-3,5-dimethoxybenzyl)-pyrimidine; 5-(4-Bromo-3,5-dimethoxy-benzyl)-pyrimidine-2,4-diamine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:131726	.	.	.	339.19	C13H15BrN4O2	96.3	296	2	20	2	6	4	"1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)"	COC1=CC(=CC(=C1Br)OC)CC2=CN=C(N=C2N)N	BFCRRLMMHNLSCP-UHFFFAOYSA-N
DG00953	Tianeptine	68870	"Tianeptine; 66981-73-5; 72797-41-2; Tianeptine Acid; Tianeptine [INN]; 7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoic acid; Tianeptine (INN); AKU7QFL9ZT; UNII-AKU7QFL9ZT; Stablon (TN); C21H25ClN2O4S; UNII-XV6773012I; TPI-1062; XV6773012I; 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid; JNJ-39823277; Tianeptina; 7-((3-Chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino)heptanoic acid; 7-[(3-Chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid; Tianeptina [INN-Spanish]; Tianeptineacid; (S)-tianeptine; (+)-Tianeptine; (-)-Tianeptine; EINECS 276-851-9; Tianeptine, (+)-; Tianeptine, (-)-; 1159812-13-1; SCHEMBL49293; (1)-7-((3-Chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-yl)amino)heptanoic acid S,S-dioxide; MLS006010111; GTPL7558; CHEMBL1289110; DTXSID7048295; CHEBI:91749; CHEBI:190006; CHEBI:190008; HMS3886A13; BCP10101; EX-A2724; MFCD00865376; s5087; ZB1716; AKOS015900590; AC-2091; CCG-269088; CS-0433; DB09289; KS-5099; HY-90003; K099; SMR004701247; FT-0630770; FT-0675218; 23T172; C76315; D02575; A835601; A914696; Q424260; S-16190; S-16191; Q-100759; BRD-A53077924-236-01-4; 169293-31-6; 191172-75-5; 7-[(3-chloro-6-methyl-5,5-dioxo-6,11-dihydro-5H-5lambda(6)-dibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid; 7-[(6-chloro-10-methyl-9,9-dioxo-9$l^{6}-thia-10-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl)amino]heptanoic acid; 7-[[3-chloranyl-6-methyl-5,5-bis(oxidanylidene)-11H-benzo[c][2,1]benzothiazepin-11-yl]amino]heptanoic acid; 7-{[(11S)-3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl]amino}heptanoic acid; Heptanoic acid, 7-((3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo(c,f)(1,2)thiazepin-11-yl)amino)-, (+)-; Heptanoic acid, 7-((3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo(c,f)(1,2)thiazepin-11-yl)amino)-, (-)-; Heptanoic acid, 7-((3-chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-yl)amino)-, S,S-dioxide, (+)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:91749	DB09289	DR01101	DR1589	437	C21H25ClN2O4S	95.1	654	1.2	29	2	6	8	"1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)"	CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)O	JICJBGPOMZQUBB-UHFFFAOYSA-N
DG00956	Artemether	68911	"Artemether; 71963-77-4; beta-Artemether; Dihydroartemisinin methyl ether; Artemetherum; Artemisininelactol methyl ether; Methyl-dihydroartemisinine; Artemetero; Paluther; beta-Dihydroartemisinin methyl ether; SM 224; Artemetheri; Dihydroqinghaosu methyl ether; CHEBI:195280; Artenam; Artemos; Artesaph; CPD000469218; Falcidol; Gvither; Malartem; C16H26O5; (1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecane; Larither; SM-224; Artemetero [INN-Spanish]; Artemetherum [INN-Latin]; methoxy(trimethyl)[ ]; 10-methoxy-1,5,9-trimethyl-(1R,4S,5R,8S,9R,10S,12R,13R)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane; Dihydroquinghaosu methyl ether; HSDB 7456; NSC 665970; UNII-C7D6T3H22J; Artemeter; Artimist; Qinghao; beta artemether; Artemether [USAN:INN:BAN]; CGP 56696; NSC665970; NSC-665970; NSC-759820; .beta.-Artemether; (1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane; (3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-10-methoxy-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin; (3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-10-methoxy-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin; Dihydroartemisinin impurity g; MLS001424249; Artemether (JAN/USAN/INN); C7D6T3H22J; CHEMBL566534; GTPL9955; SCHEMBL1650501; Artemether, >=98% (HPLC); DTXSID7040651; HMS2052L09; HMS2232J21; SM224; ACT03313; AMY25769; HY-N0402; BDBM50248200; ZINC14263142; AKOS026750084; CCG-101180; DB06697; MCULE-9916057476; NC00430; 3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin, decahydro-10-methoxy-3,6,9-trimethyl-, (3-alpha,5a-beta,6-beta,8a-beta,9-alpha,12-beta,12aR)-, (+)-; SMR000469218; D02483; AB00698368-05; AB00698368_06; Q416199; 2-Chloro-3,5-dimethyl-4-methoxypyridinehydrochloride; Z1550675461; Artemether, United States Pharmacopeia (USP) Reference Standard; (1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0;{4,13}.0;{8,13}]hexadecane; (3R,5aS,6R,8aS,9R,10S,12R,12aR)-10-methoxy-3,6,9-trimethyldecahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepine; (3R,5aS,6R,8aS,9R,10S,12R,12aR)-10-methoxy-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromene; (3r,5as,6r,8as,9r,10s,12r,12ar)-decahydro-10methoxy-3,6,9-trimethyl-3,12-epoxy-12h-pyrano[4,3-j]-1,2benzodioxepin; 3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, decahydro-10-methoxy-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,10S,12R,12aR)-; D8Z"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:195280	DB06697	.	DR0140	298.37	C16H26O5	46.2	429	3.1	21	0	5	1	"1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1"	C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C	SXYIRMFQILZOAM-HVNFFKDJSA-N
DG00961	Epicillin	71392	"Epicillin; Dexacillin; Dihydroampicillin; Epicilline; Epicillinum; Epicilina; 26774-90-3; SQ 11302; UNII-3LU1L73C8Y; CHEBI:58974; 3LU1L73C8Y; SQ-11302; SQ 11,302; Epicilina [INN-Spanish]; Epicilline [INN-French]; Epicillinum [INN-Latin]; Dexacillin (TN); 6beta-[(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido]-2,2-dimethylpenam-3alpha-carboxylic acid; EINECS 248-001-7; BRN 1091831; Epicillin [USAN:INN:BAN]; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2-amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3,3-dimethyl-7-oxo-, D-; Epicillin (USAN/INN); Epitope ID:120382; SCHEMBL34063; 6-((Amino-1,4-cyclohexadien-1-ylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid (2S-(2alpha,5alpha,6beta,(S*)))-; 6-(D-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; CHEMBL2104266; GTPL10804; DTXSID60181288; ZINC4215810; DB13300; SQ11302; (2S,5R,6R)-6-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((amino-1,4-cyclohexadien-1-ylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))-; D04020; Q5382578; (2S,6R)-6-((R)-2-amino-2-(cyclohexa-1,4-dienyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:58974	.	.	.	351.4	C16H21N3O4S	138	658	-1.3	24	3	6	4	"1S/C16H21N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-4,7,9-11,14H,5-6,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)C(=O)O)C	RPBAFSBGYDKNRG-NJBDSQKTSA-N
DG00963	Enocitabine	71734	"Enocitabine; 55726-47-1; Sunrabin; NSC-239336; UNII-9YVR68W306; 9YVR68W306; NCGC00167515-01; Behenoylcytosine arabinoside; Enocitabina; Enocitabinum; Enocitabine [INN:JAN]; BHAC; Enocitabinum [INN-Latin]; Enocitabina [INN-Spanish]; Sunrabin (TN); N-(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)docosanamide; N(sup 4)-Behenoylcytosine arabinoside; NSC 239336; BRN 0772101; N(sup 4)-Behenoyl-1-beta-D-arabinofuranosylcytosine; Enocitabine (JAN/INN); n4-behenoyl-1-beta-d-arabinofuranosylcytosine; N-(1-beta-D-Arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)docosanamide; SCHEMBL7962; DSSTox_CID_26682; DSSTox_RID_81817; DSSTox_GSID_46682; CHEMBL2106589; DTXSID6046682; SCHEMBL21051876; CHEBI:31537; AOB6809; EX-A2055; ZINC8214554; Tox21_112513; AKOS016014098; Docosanamide, N-(1-beta-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-; NCGC00167515-03; N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]docosanamide; CAS-55726-47-1; HY-123523; CS-0082897; D01633; 726E471; A830776; Q5379350; BRD-K32007074-001-02-9; N-{1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}docosanamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31537	.	.	.	565.8	C31H55N3O6	132	774	9.2	40	4	6	23	"1S/C31H55N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(36)32-26-22-23-34(31(39)33-26)30-29(38)28(37)25(24-35)40-30/h22-23,25,28-30,35,37-38H,2-21,24H2,1H3,(H,32,33,36,39)/t25-,28-,29+,30-/m1/s1"	CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	SAMRUMKYXPVKPA-VFKOLLTISA-N
DG00966	Secnidazole	71815	"Secnidazole; 3366-95-8; Secnidazol; Flagentyl; Secnidazolum; Secnidazolum [INN-Latin]; 1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol; RP 14539; 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol; PM 185184; PM-185184; Secnidazole (Flagentyl); SYM-1219; 1-(2-Methyl-5-nitro-1-imidazolyl)-2-propanol; RP-14539; MLS000559043; 1-(2-Methyl-5-nitro-imidazol-1-yl)-propan-2-ol; NSC-759812; NCGC00095158-01; SMR000149359; RP-14539;PM-185184; DSSTox_CID_25934; DSSTox_RID_81233; DSSTox_GSID_45934; Solosec; Secnidazol [INN-Spanish]; CAS-3366-95-8; SR-01000685111; EINECS 222-134-0; alpha,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol; Secnidal; Sindose; Secnil; 1-(2-Hydroxypropyl)-2-methyl-5-nitroimidazol; Secnidal (TN); Secnidazole-[d6]; Secnidazole [USAN:INN:BAN:DCF]; SYM 1219; Solosec (TN); Secnidazole anhydrous; Secnidazole hemihydrate; Ornidazole metabolite m4; Opera_ID_1811; Spectrum2_000033; Spectrum3_001956; alpha,2-Dimethyl-5-nitroimidazole-1-ethanol; Secnidazole (USAN/INN); 1-(2-Methyl-5-nitroimidazol-1-yl)-2-propanol; Imidazole-1-ethanol, alpha,2-dimethyl-5-nitro-; BSPBio_003556; MLS000759496; MLS001201813; MLS001424126; MLS006011434; SCHEMBL363924; SPECTRUM1505304; SPBio_000125; CHEMBL498847; DTXSID3045934; CHEBI:94433; KBio3_002874; CHEBI:140628; HMS1922B12; HMS2051C20; HMS2090N15; HMS2231G11; HMS3369N08; HMS3393C20; HMS3656G14; HMS3714I05; Pharmakon1600-01505304; BCP12459; HY-B1118; Tox21_111457; BBL010784; BDBM50349330; CCG-39993; MFCD00864656; NSC759812; STK590474; AKOS005512552; AKOS025149490; Tox21_111457_1; CCG-100896; CS-4641; DB12834; KS-1191; MCULE-8220679702; NC00146; NSC 759812; SB19197; NCGC00095158-02; NCGC00095158-03; NCGC00095158-04; NCGC00095158-05; NCGC00095158-08; AC-12065; H737; SBI-0207037.P001; Secnidazole 100 microg/mL in Acetonitrile; DB-000688; FT-0601624; S2537; SW197526-3; D07353; J10074; 1-(2- hydroxypropyl)-2-methyl-5-nitroimidazole; 1H-Imidazole-1-ethanol, a,2-dimethyl-5-nitro-; AB00456738-13; AB00456738-15; AB00456738_16; AB00456738_17; 366S958; A821901; J-019291; Q4413249; SR-01000685111-4; SR-01000685111-6; SR-01000685111-7; BRD-A70083328-001-02-9; BRD-A70083328-001-12-8; 1-(2-methyl-5-nitro-1H-imidazol-1-yl) propan-2- ol; 1-(2-Methyl-5-nitro-imidazol-1-yl)propan-2-ol;Secnidazole"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94433	DB12834	.	DR2431	185.18	C7H11N3O3	83.9	194	0.2	13	1	4	2	"1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3"	CC1=NC=C(N1CC(C)O)[N+](=O)[O-]	KPQZUUQMTUIKBP-UHFFFAOYSA-N
DG00974	Nonoxynol-9	72385	"Nonoxynol-9; Nonoxynol 9; 14409-72-4; Delfen; 26571-11-9; Tergitol NP-9; PEG-9 Nonyl phenyl ether; Tergitol NP9; Nonaethylene glycol nonylphenyl ether; Nonylphenol octa(oxyethylene) ethanol; Nonaethylene glycol mono(nonylphenyl) ether; NONOXINOL-9; Nonylphenoxypolyethoxyethanol; Polyoxyethylene (9) nonyl phenyl ether; 26-(4-nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol; 26-(Nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol; 2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol; CHEBI:53775; NSC-758941; p-Nonylphenyl polyethylene glycol ether; Conceptrol; Nonoxynol, n=9; N-9; Intercept; Semicid; 3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol, 26-(4-nonylphenoxy)-; 2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-ethoxy]ethoxy]ethoxy]ethoxy]ethanol; Staycept; Emko; Today Sponge; Nonoxinolum 9; HSDB 8094; Gynol II; C-Film; Norfox np-9; Tergitol TP-9; Nonoxynol-9.5; EINECS 247-816-5; Conco NI-90; K-Y plus nonoxynol-9; Spectrum2_001247; Spectrum3_001946; 3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol, 26-(nonylphenoxy)-; ALOSETRONHYDROCHLORIDE; CHEMBL1410; SCHEMBL36844; BSPBio_003546; SPECTRUM1505292; SPBio_001154; Dowfax 9N9, Neutronyx 611; CO-630SP; KBio3_002833; DTXSID00858720; HMS2093O22; Pharmakon1600-01505292; ZINC8214629; BDBM50442874; CCG-39124; NSC758941; AKOS015910808; DB06804; NSC 758941; NCGC00095907-02; NCGC00095907-03; N 9; SBI-0206761.P001; Polyethylene glycol 450 nonyl phenyl ether; AB01563056_01; Q420039; SR-05000001885; J-016227; Q-201490; SR-05000001885-1; BRD-K88625236-001-01-8; 1-(4-nonylphenyl)-1,4,7,10,13,16,19,22,25-nonaoxaheptacosan-27-ol; N9"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:53775	DB06804	.	.	616.8	C33H60O10	103	520	4.6	43	1	10	35	"1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3"	CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO	FBWNMEQMRUMQSO-UHFFFAOYSA-N
DG00975	Grepafloxacin	72474	"Grepafloxacin; 119914-60-2; Raxar; 146863-02-7; OPC-17116; 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid; CHEMBL583; Tomefloxacin; dl-Grepafloxacin; CHEBI:5543; 1-Cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; OPC 17116; 1-CYCLOPROPYL-6-FLUORO-5-METHYL-7-(3-METHYLPIPERAZIN-1-YL)-4-OXO-QUINO LINE-3-CARBOXYLIC ACID; Grepafloxacin (unspecified); 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylicacid; CCRIS 7284; NCGC00167527-01; Grepafloxacin [INN:BAN]; dl-Grepafloxacin; PC 17116; PC-17116; SCHEMBL34155; (+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-; DTXSID2048321; GTPL10818; HMS3713L05; BCP23880; HY-A0147; OPC17116; RKL10071; BDBM50117924; AKOS016013941; DB00365; 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-; CS-0017472; FT-0703068; Q414846; SR-01000872592; SR-01000872592-1; (+/-)-3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-; 1-Cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4,4a,8a-tetrahydro-quinoline-3-carboxylic acid (Grepafloxacin); 1-Cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid; 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid; 1-cyclopropyl-6-fluoro-7-(3-methyl-1-piperazinyl)-5-methyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid; 1-Cyclopropyl-6-fluoro-7-(3-methyl-1-piperazinyl)5-methyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5543	DB00365	DR00638	DR0790	359.4	C19H22FN3O3	72.9	636	-0.2	26	2	7	3	"1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)"	CC1CN(CCN1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)C)F	AIJTTZAVMXIJGM-UHFFFAOYSA-N
DG00979	Cefacetrile	91562	"Cefacetrile; Cephacetrile; 10206-21-0; Celospor; Cefacetrilum [INN-Latin]; Cefacetrilo [INN-Spanish]; Cefacetril; 7-Cyanacetylamino-cephalosporansaeure; UNII-FDM21QQ344; (6R,7R)-3-(acetyloxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; FDM21QQ344; (6R,7R)-3-(Acetoxymethyl)-7-(2-cyanoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; Cefacetrilo; Cefacetrilum; cephacetril; Cefacetrile (INN); Cefacetrile [INN:BAN]; EINECS 233-508-8; Vetrimast; Vetrimast [veterinary] (TN); (6R,7R)-3-Acetoxymethyl-7-(2-cyanacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure; 7-(2-Cyanacetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carboxylat acetat (ester); SCHEMBL141792; CHEMBL2110602; DTXSID0022779; CHEBI:135437; ZINC3830496; 2,4,6-TRIMETHOXYCINNAMICACID; AKOS030240997; DB01414; NCGC00510891-01; (6R,7R)-3-[(acetyloxy)methyl]-7-[(cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-[(2-cyanoacetyl)amino]-8-oxo-, (6R,7R)-; Cefacetrile 100 microg/mL in Acetonitrile; D07629; J-000558; Q4919176; (6R,7R)-3-[(acetyloxy)methyl]-7-(2-cyanoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135437	DB01414	.	.	339.33	C13H13N3O6S	162	664	-0.5	23	2	8	6	"1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1"	CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)O	RRYMAQUWDLIUPV-BXKDBHETSA-N
DG00982	Argatroban	92722	"Argatroban; 74863-84-6; Argatroban anhydrous; MCI-9038; MD-805; Argipidine; (2R,4R)-1-((2S)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid; GN-1600; C23H36N6O5S; Argatroban Injection; DK-7419; CHEMBL1166; (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid; 74863-84-6 (anhydrous); Argatroban In Sodium Chloride; Argatroban [INN:JAN]; (2R,4R)-1-((2S)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl)-4-methy; Argatrobanum; Argatrobanum [Latin]; GN1600; 121785-71-5; (2R,4R)-1-[(2S)-5-[(diaminomethylidene)amino]-2-[(3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido]pentanoyl]-4-methylpiperidine-2-carboxylic acid; (2R,4R)-4-methyl-1-(((3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl)-L-arginyl)piperidine-2-carboxylic acid; SMR000466348; SR-05000001529; (2R,4R)-1-[(2S)-5-[(Aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic Acid; (2R,4R)-4-Methyl-1-((S)-N(sup 2)-(((RS)-1,2,3,4-tetrahydro-3-methyl-8-quinolyl)sulfonyl)arginyl)pipecolic acid; (2R,4R)-4-Methyl-1-[N-[(3-methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]-L-arginyl]-2-piperidinecarboxylic acid; MLS000759461; MLS001424093; MLS006010033; GTPL6385; SCHEMBL1145308; SCHEMBL20567702; CHEBI:94385; HSDB 8488; HMS2051N07; HMS2090L12; HMS3713D22; BCP06831; EX-A4276; HY-B0375; 2858AH; BDBM50038001; s2069; AKOS015919612; CCG-100933; CCG-207885; DB00278; NC00183; NCGC00166413-01; NCGC00166413-03; 2-Piperidinecarboxylic acid, 1-((2S)-5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-, (2R,4R)-; 2-Piperidinecarboxylic acid, 1-(5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-; AS-14191; K280; SMR004624627; C72625; AB00639932-04; AB01275532-01; AB01275532_02; 863A846; SR-01000759392; J-500992; J-500996; SR-01000759392-4; SR-05000001529-1; SR-05000001529-2; BRD-A48261811-001-08-1; Q27074501; (2R,4R)-1-((2S)-5-guanidino-2-(3-methyl-1,2,3,4-tetrahydroquinoline; (2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid; (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid; (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methyl-pipe ridine-2-carboxylic acid; (2R,4R)-1-[(2S)-5-(DIAMINOMETHYLIDENEAMINO)-2-[[(3R)-3-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-8-YL]SULFONYLAMINO]PENTANOYL]-4-METHYL-PIPERIDINE-2-CARBOXYLIC ACID; (2R,4R)-1-[(2S)-5-guanidino-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methyl-piperidine-2-carboxylic acid; (2R,4R)-1-[(S)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid; (2R,4S)-1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid; (2S,4S)-1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid; (S)-1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid; 1-[(2R,3S)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid; 1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid; 1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid (Argatroban)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94385	DB00278	.	DR0132	508.6	C23H36N6O5S	189	887	1.3	35	5	8	9	"1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15 ,17+,18-/m1/s1"	C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C	KXNPVXPOPUZYGB-IOVMHBDKSA-N
DG00983	Propicillin	92879	"Propicillin; propicilline; 551-27-9; Propicilina; Propicillinum; UNII-8X1R260V33; (1-Phenoxypropyl)penicillin; CHEBI:52429; 8X1R260V33; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxybutanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxybutanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; Propicillin potassium salt; 6beta-(2-phenoxybutanamido)-2,2-dimethylpenam-3alpha-carboxylic acid; Propicilina [INN-Spanish]; Propicilline [INN-French]; Propicillinum [INN-Latin]; Propicillin [INN:BAN:DCF]; EINECS 208-995-5; Propicillin (BAN); NCGC00160673-01; DSSTox_CID_26291; DSSTox_RID_81517; DSSTox_GSID_46291; SCHEMBL35608; .alpha.-phenoxypropylpenicillin; CHEMBL2105612; DTXSID3046291; Tox21_111976; DB13660; (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenoxybutanamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; CAS-551-27-9; D08438"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:52429	.	DR00720	.	378.4	C18H22N2O5S	121	590	2.7	26	2	6	6	"1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)/t11 ,12-,13+,16-/m1/s1"	CCC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC3=CC=CC=C3	HOCWPKXKMNXINF-XQERAMJGSA-N
DG00988	Dihydroergocristine	107715	"Dihydroergocristine; 17479-19-5; 9,10-Dihydroergocristine; DHEC; UNII-05D48LUM4Z; GNF-Pf-3462; Ergocristine, dihydro-; Dihydroergocristin; 05D48LUM4Z; CHEMBL601773; CHEBI:59912; NCGC00017401-02; DSSTox_CID_26322; DSSTox_RID_81538; DSSTox_GSID_46322; (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide; (10alphaH)-5'alpha-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman; CAS-17479-19-5; Ergocristine, 9,10-dihydro-; CCRIS 4027; EINECS 241-493-4; SR-01000075381; NCGC00163163-01; Prestwick0_000562; Prestwick1_000562; Prestwick2_000562; Prestwick3_000562; Dihydroergocristine (BAN); Lopac0_000409; BSPBio_000344; SCHEMBL146691; SPBio_002563; BPBio1_000380; DTXSID3046322; HMS2090H10; ZINC3995616; Tox21_112021; Tox21_113115; BDBM50390992; 5'-Benzyl-9,10-dihydro-12'-hydroxy-2'-isopropyl-3',6',18-ergotamantrion; CCG-204502; DB13345; 9,10-Dihydro-12'-hydroxy-2'-isopropyl-5'alpha-benzylergotaman-3',6',18-trion; 9,10-Dihydro-12'-hydroxy-2'-isopropyl-5'alpha-benzylergotaman-3',6',18-trion [IUPAC]; NCGC00017401-06; NCGC00017401-07; NCGC00017401-08; NCGC00017401-09; NCGC00017401-10; NCGC00023148-04; NCGC00023148-05; NCGC00023148-06; Erotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha,10alpha)-; D07834; Q5276428; SR-01000075381-5; BRD-K97440753-066-03-3; UNII-34HPE9Z8IP component DEQITUUQPICUMR-HJPBWRTMSA-N"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:59912	.	.	.	611.7	C35H41N5O5	118	1210	3.3	45	3	6	5	"1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/t23-,25-,27-,28+,29+,34-,35+/m1/s1"	CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C	DEQITUUQPICUMR-HJPBWRTMSA-N
DG00989	Fingolimod	107970	"Fingolimod; 162359-55-9; 2-Amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol; 2-Amino-2-(4-octylphenethyl)propane-1,3-diol; 2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol; UNII-3QN8BYN5QF; 2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propandiol; Fingolimod [INN]; 1,3-Propanediol, 2-amino-2-[2-(4-octylphenyl)ethyl]-; Gilenya (TN); 3QN8BYN5QF; CHEMBL314854; CHEBI:63115; Fingolimod (INN); 1,3-Propanediol, 2-amino-2-(2-(4-octylphenyl)ethyl)-; 2-amino-2-(2-(4-octylphenyl)ethyl)propane-1,3-diol; C19H33NO2; FTY-720A; 2-amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol; fingolimodum; FingoliMod Base; Fingolimod- Bio-X; SCHEMBL7445; 2-(4-octylphenylethyl)-2-aminopropane-1,3-diol; GTPL2407; DTXSID40167363; HMS3743O13; AMY22173; BCP05969; ZINC1542002; 3674AH; BDBM50158336; NSC755643; s5950; STL445699; AKOS015999594; DB05286; DB08868; NSC-755643; NCGC00188399-01; NCGC00188399-03; NCGC00188399-04; NCGC00188399-06; NCGC00188399-16; AC-25899; AS-68987; BF164460; HY-11063; DB-064455; FT-0660847; 2-(4-octylphenethyl)-2-aminopropane-1,3-diol; D70458; 2-amino-2-(4-octylphenyl)ethylpropane-1,3-diol; Q425137; 2-amino-2-hydroxymethyl-4-(4-(octyl)phenyl)butanol; BRD-K88025533-003-01-7; 2-Amino-2-[2-(4-octyl-phenyl)-ethyl]-propane-1,3-diol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63115	DB08868	.	DR0696	307.5	C19H33NO2	66.5	258	4.2	22	3	3	12	"1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3"	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N
DG00994	Pramipexole	119570	"Pramipexole; 104632-26-0; (-)-Pramipexole; Sifrol; Mirapexin; Pramipexol; (S)-N6-Propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine; (S)-Pramipexole; Pramipexolum; Mirapex; SUD919CL2Y; U-98528E; SND 919; (S)-2-Amino-4,5,6,7-tetrahydro-6-(propylamino)benzothiazole; (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine; UNII-83619PEU5T; SND-919; Pramipexole Teva; PRAMIPEXOLE HCl; CHEBI:8356; CHEMBL301265; 83619PEU5T; 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N(sup 6)-propyl-, (S)-; PRAMIPEXOLE HYDROCHLORIDE; NCGC00167441-01; Oprymea; 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, (6S)-; (6S)-N(6)-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine; (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine; DSSTox_CID_3496; DSSTox_RID_77054; DSSTox_GSID_23496; Pramipexol [Spanish]; Pramipexolum [Latin]; SND-919CL2Y; (S)-Pramipexole Dihydrochloride; SMR000449298; CAS-104632-26-0; NSC-760426; SR-01000763219; Pramipexole (USAN/INN); (S)-N6-Propyl-4,5,6,7-tetrahydrobenzothiazole-2,6-diamine; SUD 919CL2Y; Pramipexole [USAN:INN:BAN]; MFCD00869076; (-) Pramipexole; Pramipexole (Mirapex); Spectrum_001838; 111GE001; SpecPlus_000820; 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, (S)-; Spectrum5_001453; EC 600-593-1; SCHEMBL35376; GTPL953; KBioSS_002343; MLS000758250; MLS001423952; BIDD:GT0250; DivK1c_006916; SUD-919CL2Y; DTXSID6023496; HSDB 8253; KBio1_001860; KBio2_002340; KBio2_004908; KBio2_007476; (s)-2-amino-6-propylamino-4,5,6,7-tetrahydrobenzothiazole; HMS2051A21; HMS2090C15; HMS2232B03; HMS3884L19; AMY10837; HY-B0410; ZINC3781664; Tox21_112445; BDBM50116766; CX1349; s2460; AKOS016843188; Tox21_112445_1; CCG-100823; DB00413; NC00073; NSC 760426; NCGC00167441-02; NCGC00167441-03; NCGC00167441-10; DS-14807; DB-038042; B1488; SW197453-4; D05575; AB00053772-12; AB00053772-13; AB00053772_14; AB00053772_16; 632P260; A801025; A901248; Q421304; J-001211; SR-01000763219-5; SR-01000763219-6; (6S)-4,5,6,7-tetrahydro-N6-propyl-2,6-benzothiazole-diamine; (6S)-N'-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine; (s)-(-)-2-amino-6-n-propylamino-4,5,6,7-tetrahydrobenzothiazole; (S)-N 6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine; 556801-24-2; N'-Propyl-4,5,6,7-tetrahydrobenzothiazole-2,6-diamine; (S)-2-Amino-6-propylamino-4,5,6,7-tetrahydrobenzthiazole;(S)-N6-Propyl-4,5,6,7-tetrahydrobenzothiazole-2,6-diamine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8356	DB00413	DR00620	.	211.33	C10H17N3S	79.2	188	1.9	14	2	4	3	"1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1"	CCCN[C@H]1CCC2=C(C1)SC(=N2)N	FASDKYOPVNHBLU-ZETCQYMHSA-N
DG01002	Arbidol	131411	"Arbidol; umifenovir; 131707-25-0; UNII-93M09WW4RU; Umifenovir [INN]; ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate; ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate; MLS000777586; 93M09WW4RU; Umifenovir (INN); SMR000413980; 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((phenylthio)methyl)-, ethyl ester; 1H-Indole-3-carboxylic acid, 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-, ethyl ester; Arbidol base; 6-Bromo-4-dimethylaminomethyl-5-hydroxy-1-methyl-2-phenylsulfanylmethyl-1H-indole-3-carboxylic acid ethyl ester; 75U; Arbidol; Umifenovir; AR-1I9514; ChemDiv1_000732; Oprea1_384852; Oprea1_482224; MLS006011808; cid_131411; SCHEMBL1068701; CHEMBL1214598; BDBM83797; GTPL11089; HMS589B06; DTXSID60895015; CHEBI:134730; HMS2760J21; ALBB-028966; BCP04187; EX-A3050; MFCD01326495; STK021887; ZINC19907652; AKOS001485435; AT13213; DB13609; DT-0014; MCULE-3169804935; NCGC00246387-01; NCGC00246387-02; NCGC00246387-06; NCGC00246387-09; ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate; Ethyl 6-bromo-5-hydroxy-1-methyl-4-((dimethylamino)methyl)-2-[(phenylthio)methyl]-1H-indole-3-carboxylate; HY-14904; D10558; AB00644670_06; A888382; Q27271599; 1H-indole-3-carboxylic acid, 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-, ethyl ester, hydrochloride; 5674-91-9; 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester; 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester; 6-Bromo-4-dimethylaminomethyl-5-hydroxy-1-methyl-2-phenylsulfanylmethyl-1H-indole-3-carboxylic acid ethyl ester; 6-Bromo-5-hydroxy-4-methylaminomethyl-1-methyl-2-benzenesulfenylmethylindole-3-ethyl carboxylate; ethyl 6-bromanyl-4-[(dimethylamino)methyl]-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate; ethyl 6-bromo-5-hydroxy-4-dimethylaminomethyl-1-methyl-2-phenylthiomethylindole-3-carboxilate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:134730	.	.	.	477.4	C22H25BrN2O3S	80	546	4.4	29	1	5	8	"1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3"	CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CC=C3	KCFYEAOKVJSACF-UHFFFAOYSA-N
DG01006	Nepafenac	151075	"Nepafenac; 78281-72-8; Nevanac; 2-(2-Amino-3-benzoylphenyl)acetamide; 2-Amino-3-benzoylbenzeneacetamide; Ilevro; AL 6515; AHR 9434; AHR-9434; AL-6515; Benzeneacetamide, 2-amino-3-benzoyl-; UNII-0J9L7J6V8C; CHEBI:75922; 0J9L7J6V8C; MFCD08067732; AHR 9434;AL 6515; NCGC00185741-01; DSSTox_CID_28564; DSSTox_RID_82836; DSSTox_GSID_48638; Amfenac amide; SMR002529588; CAS-78281-72-8; nepafenaco; nepafenacum; Nepafena; Nepafenac [USAN:INN:BAN:JAN]; 2-amino-3-benzoyl-benzeneacetamide; Nevanac (TN); 2-(2-amino-3-benzoyl-phenyl)acetamide; 2-[2-amino-3-(benzoyl)phenyl]acetamide; CHEMBL1021; SCHEMBL93835; MLS003915618; MLS004774140; MLS006010644; Nepafenac (JAN/USAN/INN); GTPL7564; DTXSID0048638; Nepafenac, >=98% (HPLC); 2-Amino-3-benzoyl-phenylacetamide; HMS3654P07; HMS3884E07; ACT02914; AMY10899; BCP21333; EX-A1350; WZB81453; ZINC5162311; Tox21_112985; BDBM50228731; s1255; STL451069; AKOS005146108; Tox21_112985_1; AC-6949; CCG-267004; CS-0899; DB06802; NCGC00185741-02; 2-(2-Amino-3-benzoyl-phenyl)-acetamide; AS-19176; HY-17357; 2-Amino-3-benzoylbenzeneacetamide;Nepafenac; FT-0603701; N0932; SW219197-1; X5012; 2-[2-amino-3-(phenylcarbonyl)phenyl]acetamide; A26218; D05143; AB01274763-01; AB01274763_02; 281N728; A890381; Q684379; SR-01000931908; J-507774; SR-01000931908-2; BRD-K04112579-001-02-1; 2-Amino-3-benzoylbenzeneacetamide / 2-(2-Amino-3-benzoylphenyl)acetamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:75922	DB06802	.	.	254.28	C15H14N2O2	86.2	337	1.9	19	2	3	4	"1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)"	C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)N	QEFAQIPZVLVERP-UHFFFAOYSA-N
DG01008	Peramivir	154234	"Peramivir; 330600-85-6; Rapiacta; BCX-1812; 229614-55-5; RWJ-270201; UNII-9ZS94HQO3B; RAPIVAB; CHEBI:85202; BCX1812; BCX 1812; RWJ270201; (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid; RWJ 270201; 9ZS94HQO3B; (1S,2S,3R,4R)-3-((S)-1-Acetamido-2-ethylbutyl)-4-guanidino-2-hydroxycyclopentanecarboxylic acid; 330600-85-6 (free); (1S,2S,3R,4R)-4-carbamimidamido-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxycyclopentane-1-carboxylic acid; 229614-56-6; 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID; 3-(1'-acetylamino-2'-ethyl)butyl-4-((aminoimino)methyl)amino-2-hydroxycyclopentane-1-carboxylic acid; BCZ; Cyclopentanecarboxylic acid, 3-[(1S)-1-(acetylamino)-2-ethylbutyl]-4-[(aminoiminomethyl)amino]-2-hydroxy-, (1S,2S,3R,4R)-; (+/-)-Peramivir; Peramivir [USAN:INN]; PeramiFlu; S-021812; Peramivir anhydrous; Cyclopentanecarboxylic acid, 3-((1S)-1-(acetylamino)-2-ethylbutyl)-4-((aminoiminomethyl)amino)-2-hydroxy-, (1S,2S,3R,4R)-; Peramivir, (+/-)-; SCHEMBL744373; BDBM5024; CHEMBL139367; SCHEMBL12795462; DTXSID10904727; BCPP000117; (1S,2R,3R,4R)-3-(1-acetamido-2-ethyl-butyl)-4-(diaminomethylideneamino)-2-hydroxy-cyclopentane-1-carboxylic acid; ZINC3981610; BDBM50181441; HY-17015A; MFCD09837902; AKOS016007760; AKOS037652424; CS-0638; DB06614; DT-0029; NCGC00346433-06; NCGC00346433-07; (1s,2s,3r,4r)-3-((1s)-1-acetylamino-2-ethylbutyl))-4-((aminoiminomethyl)amino)-2-hydroxycyclopentane; (1S,2S,3R,4R)-3-((S)-1-acetamido-2-ethylbutyl)-4-guanidino-2-hydroxycyclopentane-1-carboxylic acid; AC-22715; Cyclopentanecarboxylic acid, 3-((1R)-1-(acetylamino)-2-ethylbutyl)-4-((aminoiminomethyl)amino)-2-hydroxy-, (1R,2R,3S,4S)-rel-; W19713; AB01566838_01; 600P856; A896277; Q412734; (-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylbutyl]-4-{[amino(imino)methyl]amino}-2-hydroxycyclopentanecarboxylic Acid; (1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylbutyl]-4-[(aminoiminomethyl)amino]-2-hydroxycyclopentanecarboxylic acid trihydrate; (1S,2S,3R,4R)-3-[(1S)-1-(acetylamino)-2-ethylbutyl]-4-carbamimidamido-2-hydroxycyclopentanecarboxylic acid; (1S,2S,3R,4R)-3-[(1S)-1-acetamido-2-ethyl-butyl]-4-guanidino-2-hydroxy-cyclopentanecarboxylic acid; (1S,2S,3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-carbamimidamido-2-hydroxycyclopentane-1-carboxylic acid; (1S,2S,3S,4R)-4-[(DIAMINOMETHYLIDENE)AMINO]-3-[(1S)-1-ACETAMIDO-2-ETHYLBUTYL]-2-HYDROXYCYCLOPENTANE-1-CARBOXYLIC ACID"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85202	DB06614	.	.	328.41	C15H28N4O4	151	460	0	23	5	5	7	"1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1"	CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)N=C(N)N)NC(=O)C	XRQDFNLINLXZLB-CKIKVBCHSA-N
DG01010	Cinacalcet	156419	"Cinacalcet; 226256-56-0; AMG 073; AMG073; (R)-N-(1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine; AMG-073; UNII-UAZ6V7728S; Parareg; N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine; UAZ6V7728S; CHEBI:48390; N-((1R)-1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine; N-((1R)-1-(1-Naphthyl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine; N-[(1R)-1-(1-naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine; N-[(1r)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine; (R)-alpha-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-1-naphthalenemethane amine; CNC; Cinacalcet (USAN); KRN-1493; NCGC00181002-01; Cinacalcet [USAN:INN:BAN]; C22H22F3N; HSDB 7318; KRN1493; SCHEMBL71876; GTPL3308; CHEMBL1201284; DTXSID8048286; ACT06726; AMY13665; BCP07181; ZINC1550499; BDBM50416875; s5191; AKOS015909821; AC-8974; CS-0287; DB01012; NCGC00181002-02; NCGC00181002-03; NCGC00181002-05; BS-16242; HY-70037; X7255; D03504; AB01274759-01; AB01274759_02; 256C560; Q193978; J-520046; (R)-N-(3-(3-trifluoromethylphenyl)propyl)-1-(1-naphthyl)ethylamine; [(1R)-1-(naphthalen-1-yl)ethyl]({3-[3-(trifluoromethyl)phenyl]propyl})amine; 1-Naphthalenemethanamine, alpha-methyl-N-(3-(3-(trifluoromethyl)phenyl)propyl)-, (alphaR)-; 1025064-29-2; YP4"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:48390	DB01012	.	.	357.4	C22H22F3N	12	422	6.1	26	1	4	6	"1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1"	C[C@H](C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F	VDHAWDNDOKGFTD-MRXNPFEDSA-N
DG01011	Lactitol	157355	"Lactitol; 585-86-4; 4-O-beta-D-Galactopyranosyl-D-glucitol; Importal; D-lactitol; lactitolum; Lacitol; Lactosit; Miruhen; Lactit; UNII-L2B0WJF7ZY; L2B0WJF7ZY; NSC 231323; D-Lactitol monohydrate; CHEBI:75323; NSC-231323; lactositol; D-Glucitol, 4-O-beta-D-galactopyranosyl-; 81025-04-9; DSSTox_CID_24247; DSSTox_RID_80133; DSSTox_GSID_44247; lactobiosit; Emportal; Oponaf; (2S,3R,4R,5R)-4-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,5,6-pentaol; CAS-585-86-4; LACTITOL ANHYDROUS; MFCD00150767; Lactitolum [INN-Latin]; Lactitol [INN:BAN:NF]; Floralac; Milchen; Portolac; CCRIS 7077; Finlac dc; Lactosit Miruhen; NSC231323; HSDB 7970; NSC-759131; Lactitol acm 50; NCGC00166295-01; Importal (TN); Lacty (saccharide); EINECS 209-566-5; Pizensy (TN); Lactitol (NF/INN); SCHEMBL3849; CHEMBL1661; Lactitol, analytical standard; INS NO.966; DTXSID9044247; BLI-400; INS-966; HMS3264E13; Pharmakon1600-01301027; HY-N7104; ZINC5225520; Tox21_112397; MFCD00079407; NSC760415; s5368; 4-beta-D-galactopyranosyl-D-glucito1; AKOS030228540; Tox21_112397_1; CCG-213712; DB12942; NSC-760415; NCGC00263893-02; (2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol; 4-O-b-D-Galactopyranosyl-D-glucitol, 9CI; beta-D-galactopyranosyl-(1->4)-D-glucitol; CS-0069039; E-966; A11574; D08266; AB00698230_06; Q415020; W-109090; BRD-K40787673-001-02-1; 262A7827-24F7-47EE-B528-3AF52CA860CE; WURCS=2.0/2,2,1/[h2122h][a2112h-1b_1-5]/1-2/a4-b1; (2S,3R,4R,5R)-4-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)hexane-1,2,3,5,6-pentaol; (2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyhexane-1,2,3,5,6-pentol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:75323	DB12942	.	.	344.31	C12H24O11	201	343	-5.2	23	9	11	8	"1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1"	C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)O)O)O)O	VQHSOMBJVWLPSR-JVCRWLNRSA-N
DG01013	Plicamycin	163659	"MITHRAMYCIN; plicamycin; Mithracin; mithramycin a; Aureolic acid; Mithramycinum; 18378-89-7; Mithramycine; Plicamycine; Plicamycinum; Mitramycin; UNII-NIJ123W41V; Aurelic acid; CHEBI:31856; Antibiotic LA 7017; CHEMBL257619; NIJ123W41V; Mitramycine; Mitramycinum; Aurlelic acid; Plicamycine [French]; Plicamycinum [Latin]; Plicamicina [Spanish]; A-2371; Mitramicina; Plicamicina; Plicamycine [INN-French]; Plicamycinum [INN-Latin]; Mithramycine [INN-French]; Mithramycinum [INN-Latin]; Mitramicina [INN-Spanish]; Plicamicina [INN-Spanish]; CCRIS 5629; HSDB 3238; SR-05000002335; NSC 24559; PA 144; PA-144; Mithracin (TN); Plicamycin [USAN:USP:INN:BAN]; MITHRAMYCINA; Plicamycin (USAN/INN); SCHEMBL4517; GTPL8394; HY-A0122; BDBM50547623; DB06810; 97666-60-9; CS-0014261; D00468; SR-05000002335-2; SR-05000002335-3; (1S)-5-deoxy-1-C-[(2S,3S)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-D-xylulose; (1S)-5-deoxy-1-C-[(2S,3S)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-D-xylulose; D-threo-2-Pentulose, 5-deoxy-1-C-((2S,3S)-7-((2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl)oxy)-3-((O-2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1.fwdarw.3)-O-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31856	DB06810	DR01399	.	1085.1	C52H76O24	358	1940	0.6	76	11	24	15	"1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1"	C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2C[C@@H](O[C@@H]([C@H]2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O[C@H]7C[C@H]([C@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O	CFCUWKMKBJTWLW-BKHRDMLASA-N
DG01020	Colistimethate	216258	"Colistimethate; Sodium colistin methanesulfonate; Colistin sodium methanesulfonate; Colistin Sulfomethate; Colimycin M; Sodium colistimethate; Colistinmethanesulfonic acid; Colistrimethate sodium; Colymycin M; Coly-Mycin M; 12705-41-8; Colimyscine; Colimicina; Coly-mycin injectable; Colistin sulfomethate sodium; Coly-Mycin M Parenteral; Sodium colistinemethanesulfonate; Colistinemethanesulfonate sodique; Pentasodium colistinmethanesulfonate; pentasodium;[2-[17-(1-hydroxyethyl)-22-[[2-[[3-hydroxy-2-[[2-(6-methyloctanoylamino)-4-(sulfonatomethylamino)butanoyl]amino]butanoyl]amino]-4-(sulfonatomethylamino)butanoyl]amino]-5,8-bis(2-methylpropyl)-3,6,9,12,15,18,23-heptaoxo-11,14-bis[2-(sulfonatomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-2-yl]ethylamino]methanesulfonate; EINECS 232-516-9; Colistinmethanesulfonic acid, sodium salt; Colistimethate sodium [USAN:USP:INN:BAN]; Colistinmethanesulfonic acid (VAN); NSC 756688; 8068-37-9; SW222239-1"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01111	.	.	1749.8	C58H105N16Na5O28S5	749	3430	.	112	18	33	39	"1S/C58H110N16O28S5.5Na/c1-9-35(6)12-10-11-13-46(77)65-38(14-20-59-28-103(88,89)90)53(82)74-48(37(8)76)58(87)70-41(17-23-62-31-106(97,98)99)50(79)68-43-19-25-64-57(86)47(36(7)75)73-54(83)42(18-24-63-32-107(100,101)102)67-49(78)39(15-21-60-29-104(91,92)93)69-55(84)44(26-33(2)3)72-56(85)45(27-34(4)5)71-52(81)40(66-51(43)80)16-22-61-30-105(94,95)96;;;;;/h33-45,47-48,59-63,75-76H,9-32H2,1-8H3,(H,64,86)(H,65,77)(H,66,80)(H,67,78)(H,68,79)(H,69,84)(H,70,87)(H,71,81)(H,72,85)(H,73,83)(H,74,82)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102);;;;;/q;5*+1/p-5"	CCC(C)CCCCC(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC(C(C)O)C(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCNCS(=O)(=O)[O-])CC(C)C)CC(C)C)CCNCS(=O)(=O)[O-])CCNCS(=O)(=O)[O-])C(C)O.[Na+].[Na+].[Na+].[Na+].[Na+]	IQWHCHZFYPIVRV-UHFFFAOYSA-I
DG01021	Lasofoxifene	216416	"Lasofoxifene; 180916-16-9; rac-Lasofoxifene; Oporia; CP 336156; (5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol; CP-336,156; 180915-78-0; Fablyn; UNII-337G83N988; CHEMBL328190; (-)-cis-5,6,7,8-Tetrahydro-6-phenyl-5-(p-(2-(1-pyrrolidinyl)ethoxy)phenyl)-2-naphthol; 337G83N988; (5R,6S)-6-phenyl-5-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-5,6,7,8-tetrahydronaphthalen-2-ol; (5R,6S)-6-phenyl-5-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,6,7,8-tetrahydronaphthalen-2-ol; (5R,6S)-6-phenyl-5-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.; 2-Naphthalenol, 5,6,7,8-tetrahydro-6-phenyl-5-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, (5R,6S)-; 180915-85-9; Lasofoxifene [INN:BAN]; LASOFOXIFENE HCL; CP-336156; lasofoxifeno; lasofoxifenum; 2-Naphthalenol, 5,6,7,8-tetrahydro-6-phenyl-5-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-, (5R,6S)-; C3D; SCHEMBL26815; GTPL7542; BDBM20606; DTXSID50171037; CHEBI:135938; BCP03626; ZINC3918428; AKOS030241621; BCP9000842; DB06202; NCGC00487269-02; BCP0726000177; 916L169; Q644675; J-011550; (-)-cis-5,6,7,8-Tetrahydro-6-phenyl-5-(p-(2-(1-pyrrolidinyl)ethoxy)phenyl)-2-naphthol.; cis-6-Phenvl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-ol; cis-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol; cis-6-Phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-ol; cis-6Phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-ol; (-)-cis-(5r,6s)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol; 2-Naphthalenol, 5,6,7,8-tetrahydro-6-phenyl-5-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-, (5R-cis)-; Rel-(5R,6S)-6-phenyl-5-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-5,6,7,8-tetrahydronaphthalen-2-ol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135938	DB06202	.	.	413.5	C28H31NO2	32.7	533	6.1	31	1	3	6	"1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1"	C1CCN(C1)CCOC2=CC=C(C=C2)[C@H]3[C@H](CCC4=C3C=CC(=C4)O)C5=CC=CC=C5	GXESHMAMLJKROZ-IAPPQJPRSA-N
DG01022	Santonin	221071	"Santonin; alpha-Santonin; 481-06-1; (-)-alpha-Santonin; Semenen; Santoninic anhydride; Santoninum; (-)-Santonine; UNII-1VL8J38ERO; (-)-Santonin; NSC4900; 1VL8J38ERO; CHEBI:16363; .alpha.-Santonin; NSC-4900; MFCD00135865; (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione; (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione; DSSTox_CID_25312; DSSTox_RID_80795; DSSTox_GSID_45312; NSC 4900; a-Santonin; l-.alpha.-Santonin; L-alpha-Santonin; (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione; (-)-.alpha.-Santonin; Santonin [JAN:NF]; SR-01000635568; NCGC00016461-01; Santonin (TN); CAS-481-06-1; naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bS)-; ()-alpha-Santonin; EINECS 207-560-7; NSC 41311; SANTONINE; Santonin (JP17); Spectrum_000790; SpecPlus_000318; AI3-19471; Prestwick0_001070; Prestwick1_001070; Prestwick2_001070; Prestwick3_001070; Spectrum2_000699; Spectrum3_001245; Spectrum4_001476; Spectrum5_000151; UPCMLD-DP084; BSPBio_001060; BSPBio_002750; KBioGR_002051; KBioSS_001270; SPECTRUM300542; MLS002154141; DivK1c_006414; SPBio_000857; SPBio_002970; alpha-Santonin; (-)-Santonin; BPBio1_001166; CHEMBL259254; MEGxp0_001636; SCHEMBL1133565; DTXSID7045312; UPCMLD-DP084:001; KBio1_001358; KBio2_001270; KBio2_003838; KBio2_006406; KBio3_002250; (-)-alpha-Santonin, >=99%; HMS1571E22; HMS2098E22; HMS2268H12; HY-B1761; Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bS)-; ZINC3881689; Tox21_110445; CCG-40021; s3999; 11-Epiisoeusantona-1,4-dienic acid, 6alpha-hydroxy-3-oxo-, gamma-lactone; AKOS015895177; Tox21_110445_1; LMPR0103190001; MCULE-4974199679; SDCCGMLS-0066491.P001; (3S)-2,3,3a,4,5,5a,8,9bbeta-Octahydro-3,5abeta,9-trimethylnaphtho(1,2-b)furan-2,8-dion; (3S,5aS,9bS)-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)dione; Eudesma-1,4-dien-12-oic acid, 6-alpha-hydroxy-3-oxo-, gamma-lactone, (11S)-(-)-; Naphtho(1,2-b)puran-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-; (-)-alpha-Santonin, analytical standard; NCGC00161640-01; NCGC00161640-02; NCGC00161640-03; NCGC00263447-01; SMR000112520; AB00376930; CS-0013789; S0521; C02206; D00154; WLN: T B566 COV LV IHTT&J E1 I1 M1; A827469; Q413166; SR-01000635568-1; SR-01000635568-4; SR-01000635568-5; BRD-K58787433-001-05-4; BRD-K58787433-001-08-8; BRD-K58787433-001-12-0; Santonin, European Pharmacopoeia (EP) Reference Standard; 11-Epiisoeusantona-1, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone; 3-(6-NITRO-2-OXO-1,3-BENZOXAZOL-3(2H)-YL)PROPANOICACID; Eudesma-1, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11S)-; (11S)-6alpha-hydroxy-3-oxoeudesma-1,4-dien-12-oic acid gamma-lactone; 6alpha-hydroxy-3-oxo-11-epiisoeusantona-1,4-dienic acid gamma-lactone; Eudesma-1, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11S)-(-)-; Naphtho[1,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-; 3a,5,5a,9b-Tetrahydro-3,5a,9-trimethyl-naphtho[1,2-b]puran-2,8(3H,4H)-dione; Eudesma-1,4-dien-12-oic acid, 6-alpha-hydroxy-3-oxo-, gamma-lactone, (11S)-; Eudesma-1,4-dien-12-oic acid, 6-alpha-hydroxy-3-oxo-, gamma-lactone, (11S)-;; (3S,3aS,5aS,9bS)-2,3,3a,4,5,5a,8,9b-Octahydro-3,5a,9-trimethylnaphtho(1,2-b)furan-2,8-dione; (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,5a-tetrahydronaphtho[1,2-b]furan-2,8(3H,9bH)-dione; (3S,3aS,5aS,9bS)-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione; 1,3,4,4a,7-Hexahydro-1-hydroxy-.alpha., 4a,8-trimethyl-7-oxo-2-naphthaleneacetic acid .gamma.-lactone; Naphtho[1,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3S-(3.alpha.,3a.alpha.,5a.beta.,9b.beta.)]-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16363	.	.	.	246.3	C15H18O3	43.4	500	2.3	18	0	3	0	"1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1"	C[C@H]1[C@@H]2CC[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C	XJHDMGJURBVLLE-BOCCBSBMSA-N
DG01025	Rosoxacin	287180	"ROSOXACIN; Acrosoxacin; 40034-42-2; Eradacil; Winuron; Roxadyl; Rosoxacine; Rosoxacinum; Win 35,213; Eracine; Rosoxacine [INN-French]; Rosoxacino [INN-Spanish]; 1-Ethyl-4-oxo-7-(4-pyridyl)-1,4-dihydroquinoline-3-carboxylic Acid; 1-Ethyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinolinecarboxylic acid; UNII-3Y1OT3J4NW; 1-ethyl-4-oxo-7-(pyridin-4-yl)-1,4-dihydroquinoline-3-carboxylic acid; 1-ethyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxylic acid; WIN 35213; 1-Ethyl-1,4-dihydro-4-oxo-7-(4-pyridinyl)-3-quinolinecarboxylic acid; 3Y1OT3J4NW; 3-Quinolinecarboxylic acid, 1-ethyl-1,4-dihydro-4-oxo-7-(4-pyridinyl)-; Rosoxacino; Eradacin; MFCD00057294; NSC146617; NSC-146617; Rosoxacinum [INN-Latin]; Roxadyl (TN); Rosoxacin (USAN/INN); EINECS 254-758-4; NSC 146617; rosoxacina; Eradicin; Winoxacin; Rosoxacin [USAN:INN:BAN]; Win-35123; PD 107522; Oprea1_128096; SCHEMBL135645; CHEMBL291157; ZINC2042; DTXSID90193091; Win-35,213; CHEBI:131715; HY-A0208; AC1324; WIN-35213; DB00817; CS-12131; DA-06177; SY038205; CS-0017556; FT-0722899; D02305; Q754690; 1-ethyl-4-oxo-7-(4-pyridyl)quinoline-3-carboxylic acid; 3-Quinolinecarboxylic acid,4-dihydro-4-oxo-7-(4-pyridinyl)-; 1-Ethyl-4-oxo-7-(4-pyridinyl)-1,4-dihydro-3-quinolinecarboxylic acid, AldrichCPR"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:131715	DB00817	.	.	294.3	C17H14N2O3	70.5	482	0.6	22	1	5	3	"1S/C17H14N2O3/c1-2-19-10-14(17(21)22)16(20)13-4-3-12(9-15(13)19)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,21,22)"	CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)O	XBPZXDSZHPDXQU-UHFFFAOYSA-N
DG01031	Griseofulvin	441140	"Griseofulvin; 126-07-8; (+)-Griseofulvin; Amudane; Grisactin; Grisefuline; Griseofulvinum; Griseofulvina; Grizeofulvin; Grifulvin; Grisofulvin; Spirofulvin; Fulcin; Grysio; Lamoryl; Likuden; Fulvicin; Griseofulvine; Poncyl; Curling factor; Grisovin; Griseofulvine [INN-French]; Griseofulvinum [INN-Latin]; Griseofulvina [INN-Spanish]; GRISEOFULVIN, MICROCRYSTALLINE; Delmofulvina; Fulvistatin; Griscofulvin; Fulcine; Fulvina; Fulvinil; Fungivin; Greosin; Gresfeed; Grifulin; Grisactin V; Grisetin; Guservin; Murfulvin; Neo-Fulcin; Biogrisin-FP; Fulvican grisactin; Griseofulvin-forte; Fulvicin-P/G; Fulvicin-U/F; GRISEOFULVIN, ULTRAMICROCRYSTALLINE; Griseofulvin microsize; Xuanjing; C17H17ClO6; UNII-32HRV3E3D5; MFCD00082343; GRISEOFULVIN, ULTRAMICROSIZE; USAF SC-2; Griseomix; Grisactin Ultra; Griseofulvin forte; Fulvicin P/G; 32HRV3E3D5; CHEBI:27779; NSC-755822; (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione; NCGC00091120-01; DSSTox_CID_674; NSC 34533; DSSTox_RID_75725; DSSTox_GSID_20674; (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione; (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione; ULTRAGRIS-165; ULTRAGRIS-330; Fulvicin Bolus; Fulvicin-U/F (Veterinary); Fulvicin Bolus (Veterinary); FULVICIN P/G 165; FULVICIN P/G 330; 7-Chloro-4,6,2'-trimethoxy-6'-methylgris-2'-en-3,4'-dione; Caswell No. 471B; Fulvidex; (1'S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione; SMR000718755; CCRIS 320; HSDB 1722; SR-05000001535; EINECS 204-767-4; EPA Pesticide Chemical Code 471400; Griseofulvin and Alpha-IFN; BRN 0095226; Griseoflulvin; GRISEOFULVIN, MICROSIZE; AI3-51015; fulvicin UF; NSC-34533; Griseofulvin,(S); Griseofulvin [USP:INN:BAN:JAN]; (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methyl-spiro[benzofuran-2,4'-cyclohex-2-ene]-1',3-dione; Prestwick_247; Grisactin V (TN); Gris-peg (TN); Griseofulvin,microsize; Spectrum_000816; CPD000718755; SpecPlus_000336; Prestwick3_000226; Spectrum2_000213; Spectrum3_000161; Spectrum4_000927; Spectrum5_000648; Griseofulvin [USP:INN]; CHEMBL562; 7-Chloro-2',4,6-trimethoxy-6'beta-methylspiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione; 7-Chloro-4,6-dimethoxycoumaran-3-one-2-spiro-1'-(2'-methoxy-6'-methylcyclohex-2'-en-4'-one); SCHEMBL21988; BSPBio_000271; BSPBio_001621; KBioGR_001454; KBioSS_001296; SPECTRUM200046; (2S-trans)-7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione; 5-18-05-00150 (Beilstein Handbook Reference); MLS001304062; MLS002152905; MLS002154239; Spiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (2S-trans)-; BIDD:GT0024; DivK1c_000154; DivK1c_006432; Griseofulvin (JAN/USP/INN); SPBio_000225; BPBio1_000299; MEGxm0_000184; DTXSID8020674; ACon0_000953; ACon1_001843; BDBM31775; Fulvicin-U/F Powder and Tablets; HMS500H16; KBio1_000154; KBio1_001376; KBio2_001296; KBio2_003864; KBio2_006432; KBio3_001121; Griseofulvin permeability diameter; NINDS_000154; HMS1923E09; HMS2091A03; HMS2095N13; HMS2235F13; HMS3259D05; HMS3712N13; interacts with polymerized microtubules and associated proteins; Pharmakon1600-00200046; ZINC622123; 2884-22-2; Tox21_111087; Tox21_202235; Tox21_303005; CCG-38416; LMPK13060001; NSC755822; s4071; AKOS015896380; Tox21_111087_1; CS-3426; DB00400; MCULE-1983595404; NC00616; SDCCGMLS-0066450.P001; IDI1_000154; NCGC00091120-02; NCGC00091120-03; NCGC00091120-04; NCGC00091120-05; NCGC00091120-06; NCGC00091120-07; NCGC00091120-08; NCGC00091120-09; NCGC00091120-13; NCGC00256353-01; NCGC00259784-01; (1'S,6'R)-7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione; (1'S-trans)- 7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzofuran-2(3H),1'-cyclohex-2'-ene)-3,4'-dione; AS-13736; BT164513; HY-17583; M542; Griseofulvin 100 microg/mL in Acetonitrile; G0384; EN300-52615; BIM-0051396.0001; C06686; D00209; J10209; AB00052005_07; Griseofulvin, VETRANAL(TM), analytical standard; Q416096; SR-01000837512; Griseofulvin, Antibiotic for Culture Media Use Only; Q-201178; SR-01000837512-2; SR-05000001535-1; SR-05000001535-3; SR-05000001535-4; BRD-K08273968-001-05-9; BRD-K08273968-001-09-1; BRD-K08273968-001-19-0; Z1258578352; Griseofulvin, British Pharmacopoeia (BP) Reference Standard; Griseofulvin, from Penicillium griseofulvum, 97.0-102.0%; Griseofulvin, European Pharmacopoeia (EP) Reference Standard; Griseofulvin, United States Pharmacopeia (USP) Reference Standard; Griseofulvin Permeability Diameter, United States Pharmacopeia (USP) Reference Standard; Griseofulvin, Pharmaceutical Secondary Standard; Certified Reference Material; (2S)-trans-7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzofuran-2[3H],1'-[2]cyclohexene)-3,4'-dione; 107912-37-8; 7-Chloro-2',4,6-trimethoxy-6'-methylspiro[benzofuran-2(3H),1',- [2]cyclohexene]-3,4'-dione"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:27779	DB00400	.	DR0791	352.8	C17H17ClO6	71.1	575	2.2	24	0	6	3	"1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1"	C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC	DDUHZTYCFQRHIY-RBHXEPJQSA-N
DG01033	Mometasone	441335	"Mometasone; 105102-22-5; (+)-Mometasone; Mometasonum; Mometasona; CHEBI:6970; (8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; UNII-8HR4QJ6DW8; 8HR4QJ6DW8; Mometasone (INN); Mometasonum [Latin]; Mometasona [Spanish]; mometazone; Mometasone, nasal; Elocon (topical); Mometasone, inhaled; Mometasone, topical; Mometasone [INN:BAN]; SCHEMBL4485; GTPL9029; CHEMBL1201404; DTXSID10872412; ZINC4097440; BDBM50237628; DB00764; 9,21-dichloro-11beta,17-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione; C07816; D08227; 102M225; A902140; Q28208887; 9a,21-Dichloro-11b,17-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione; 9,21-Dichloro-11beta,17-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione (Mometasone); (1R,2S,10S,11S,13R,14R,15S,17S)-1-chloro-14-(2-chloroacetyl)-14,17-dihydroxy-2,13,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one; Pregna-1,4-diene-3,20-dione, 9,21-dichloro-11,17-dihydroxy-16-methyl-, (11beta,16alpha)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6970	DB00764	.	.	427.4	C22H28Cl2O4	74.6	806	2.7	28	2	4	2	"1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1"	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)Cl)C	QLIIKPVHVRXHRI-CXSFZGCWSA-N
DG01035	Tolterodine	443879	"Tolterodine; 124937-51-5; Detrusitol; (+)-Tolterodine; Tolterodinum; Tolterodine tartrate; (R)-(+)-Tolterodine; Kabi 2234; Urotrol; Detrol; S-(-)-Tolterodine; Tolterodinum [INN-Latin]; UNII-WHE7A56U7K; Tolterodina [INN-Spanish]; 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol; CHEMBL1382; WHE7A56U7K; Tolterodine L-Tartrate; CHEBI:9622; 2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-methylphenol; (+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl)-p-cresol; Tolterodine [INN]; NCGC00159519-02; Unidet; DSSTox_CID_3687; Phenol, 2-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-; DSSTox_RID_77147; DSSTox_GSID_23687; (r)-2-(3-(diisopropylamino)-1-phenylpropyl)-4-methylphenol; SMR000596518; CAS-124937-51-5; MFCD07771985; PHA-686464B; PNU 200583; tolterodin; (R)-2-[3-(diisopropylamino)-1-phenylpropyl]-4-methylphenol; Tolterodine [USAN:INN:BAN]; 2-[(1R)-3-(di(propan-2-yl)amino)-1-phenylpropyl]-4-methylphenol; (R)-2,3-BIS(1-METHYLETHYL)AMINO-1-PHENYLPROPYL-4-METHYLPHENOL; Phenol, 2-((1R)-3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-methyl-; TolterodineL-tartrate; Tolterondine Tartrate; 2-[3-[Bis(1-Methylethyl)Amino]-1-Phenylpropyl]-4-Methyl Phenol Monohydrobromide; Tolterodine (USAN/INN); SCHEMBL3064; GTPL360; MLS001195620; MLS001304745; BIDD:GT0318; DTXSID3023687; HMS2230E24; ZINC968336; ACT04387; AMY17772; HY-A0024; tolterodine extended release capsules; Tox21_111737; 2-{(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl}-4-methylphenol; BDBM50165008; AKOS015841711; AKOS015895578; Tox21_111737_1; AC-3472; CS-1799; DB01036; KS-5165; NCGC00159519-04; NCGC00263557-01; C07750; D00646; H10328; AB00698547-12; AB00698547_13; 937T515; Q424312; J-005184; Q-200223; 2-[(1R)-3-[bis(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol; 2-[(1r)3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methylphenol; (+)-(R)-3-(2-hydroxy-5-methylphenyl)-N,N-diisopropyl-3-phenylpropylamine; 2-[(1R)-3-[BIS(1-METHYLETHYL)AMINO]-1-PHENYLPROPYL]-4-METHYL-PHENOL TARTRATE"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9622	DB01036	.	.	325.5	C22H31NO	23.5	340	5.6	24	1	2	7	"1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1"	CC1=CC(=C(C=C1)O)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2	OOGJQPCLVADCPB-HXUWFJFHSA-N
DG01037	Halcinonide	443943	"Halcinonide; 3093-35-4; Halciderm; Halcimat; Halog; Halcinonida; UNII-SI86V6QNEG; SQ 18566; SI86V6QNEG; Halcort; DSSTox_CID_25375; DSSTox_RID_80836; DSSTox_GSID_45375; (1S,2S,4R,8S,9S,11S,12R,13S)-8-(2-chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one; (4R,8S)-8-(2-Chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one; SQ-18,566; Betacorton; Halcinonidum; HALOG-E; Ascochrom; Volog; SQ-18566; (1S,2S,4R,8S,9S,11S,12R,13S)-8-(2-chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-17-en-16-one; Halcinonidum [INN-Latin]; Halcinonida [INN-Spanish]; C24H32ClFO5; NSC-758413; NCGC00016621-01; (11 ,16 )-21-Chloro-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-pregn-4-ene-3,20-dione; CAS-3093-35-4; EINECS 221-439-6; Prestwick_1069; Halog (TN); BRN 1358242; Halcinonide [USAN:USP:INN:BAN:JAN]; Prestwick0_000655; Prestwick1_000655; Prestwick2_000655; Prestwick3_000655; SCHEMBL4335; BSPBio_000689; 5-19-06-00301 (Beilstein Handbook Reference); MLS002153935; Halcinonide (JAN/USP/INN); SPBio_002610; BPBio1_000759; CHEMBL1200845; DTXSID6045375; CHEBI:31663; HMS1570C11; HMS2097C11; HMS2230O07; HMS3714C11; HY-B0877; ZINC4213474; Tox21_110530; s4098; AKOS015962797; Tox21_110530_1; AC-1114; AC-1774; CCG-220655; DB06786; NSC 758413; N6-(Trifluoroacetyl)-L-lysyl-L-proline; NCGC00179475-01; NCGC00179475-03; 21-Chloro-9-fluoro-11beta,16alpha,17-trihydroxypregn-4-ene-3,20-dione cyclic 16,17-acetal with acetone; AS-74757; P753; Pregn-4-ene-3,20-dione, 21-chloro-9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-, (11beta,16alpha)-; SMR001233277; SO 18566; SO-18566; C74589; D01308; 093H354; Q425991; Q-201180; BRD-K81709173-001-03-8; Halcinonide, United States Pharmacopeia (USP) Reference Standard; (1S,2S,4R,8S,9S,11S,12R,13S)-8-(2-CHLOROACETYL)-12-FLUORO-11-HYDROXY-6,6,9,13-TETRAMETHYL-5,7-DIOXAPENTACYCLO[10.8.0.0(2), .0 , .0(1)(3),(1) ]ICOS-17-EN-16-ONE; (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-6b-(chloroacetyl)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one; Pregn-4-ene-3,20-dione, 21-chloro-9-fluoro-11-beta,16-alpha,17-trihydroxy-, cyclic16,17-acetal with acetone; Pregn-4-ene-3,20-dione,21-chloro-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(11b,16a)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31663	DB06786	.	DR0798	455	C24H32ClFO5	72.8	887	3.6	31	1	6	2	"1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1"	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CCl)C)O)F	MUQNGPZZQDCDFT-JNQJZLCISA-N
DG01039	Tibolone	444008	"Tibolone; 5630-53-5; Liviella; Livial; Tibolona; Tibolonum; Xyvion; Org OD 14; Boltin; UNII-FF9X0205V2; (7R,8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one; 17-Hydroxy-7alpha-methyl-19-nor-17alpha-pregn-5(10)-en-20-yn-3-one; CHEBI:32223; FF9X0205V2; (1S,9R,10R,11S,14R,15S)-14-ethynyl-14-hydroxy-9,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-2(7)-en-5-one; DSSTox_CID_3667; (7alpha,17alpha)-17-hydroxy-7-methyl-19-norpregn-5(10)-en-20-yn-3-one; DSSTox_RID_77135; DSSTox_GSID_23667; 17alpha-ethynyl-17beta-hydroxy-7alpha-methylestr-5(10)-en-3-one; (17R)-17-hydroxy-7alpha-methyl-19-norpregn-5(10)-en-20-yn-3-one; (7alpha,17beta)-17-ethynyl-17-hydroxy-7-methylestr-5(10)en-3-one; CAS-5630-53-5; Tibolonum [INN-Latin]; Tibolona [INN-Spanish]; Tibolone [USAN:INN:BAN]; Tibofem; NSC-759898; NCGC00164632-01; EINECS 227-069-1; Org-OD14; SCHEMBL41172; Tibolone (JAN/USAN/INN); MLS001424234; ORG-OD 14; GTPL9711; CHEMBL2103774; DTXSID5023667; HMS2052K21; HMS2090B10; HMS2232B13; HMS3649J14; HMS3712J15; ZINC3812889; Tox21_112250; KB-889; AKOS015963197; Tox21_112250_1; CCG-101148; DB09070; GS-3562; NC00398; NSC 759898; NCGC00164632-02; (7beta,8xi,9beta,13alpha,14beta,17alpha)-17-ethynyl-17-hydroxy-7-methylestr-5(10)-en-3-one; AC-20036; AC-31722; CPD000469219; H052; SMR000469219; D01639; T-3854; AB00698273-05; 630T535; Q413805; SR-01000763531; SR-01000946727; SR-01000763531-3; SR-01000946727-1; 17.alpha.-Hydroxy-7.alpha.-methyl-19-norpregn-5(10)-en-20-yn-3-one; 19-Norpregn-5(10)-en-20-yn-3-one, 17-hydroxy-7-methyl-, (7alpha,17alpha)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32223	DB09070	.	DR1590	312.4	C21H28O2	37.3	636	2.4	23	1	2	1	"1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1"	C[C@@H]1CC2=C(CCC(=O)C2)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O	WZDGZWOAQTVYBX-XOINTXKNSA-N
DG01042	Cerivastatin	446156	"Cerivastatin; Baycol; cerivastatin acid; 145599-86-6; Lipobay; UNII-AM91H2KS67; AM91H2KS67; CHEBI:3558; (3R,5S,6E)-7-(4-(4-Fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl)-3,5-dihydroxy-6-heptenoic acid; (3R,5S,6E)-7-(4-(p-Fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)-3-pyridyl)-3,5-dihydroxy-6-heptenoic acid; (3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid; (3R,5S,E)-7-(4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridin-3-yl)-3,5-dihydroxyhept-6-enoic acid; 143201-11-0; [S-[R*,S*-(E)]]-7-[4-(4-fluorophenyl)-5-methoxymethyl)-2,6bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-6-heptenoate; 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl)-3,5-dihydroxy-, (3R,5S,6E)-; 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-, (3R,5S,6E)-; Cerivastatin [INN:BAN]; Cervastatin; Cerivastatin sodium salt hydrate; HSDB 7357; (3R,5S,6E)-7-{4-(4-fluorophenyl)-2,6-bis(1-methylethyl)-5-[(methyloxy)methyl]pyridin-3-yl}-3,5-dihydroxyhept-6-enoic acid; 159813-78-2; Cerivastatin (INN); CHEMBL1477; SCHEMBL16346; SCHEMBL16347; BIDD:GT0367; GTPL2950; DTXSID9022786; BDBM18376; CHEBI:94755; HMS2089B11; ZINC11330186; DB00439; (E,3R,5S)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid; 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl)-3,5-dihydroxy-, (S-(R*,S*-(E)))-; HY-129458; CS-0105635; C07966; D07661; AB01275453-01; 599C866; Q423439; SR-01000763520; SR-01000763520-3; BRD-K81169441-236-04-1; (3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid; rel-(3R,5S,E)-7-(4-(4-Fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridin-3-yl)-3,5-dihydroxyhept-6-enoic acid; rel-(3R,5S,E)-7-(4-(4-Fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridin-3-yl)-3,5-dihydroxyhept-6-enoicacid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3558	DB00439	DR00391	.	459.5	C26H34FNO5	99.9	620	3.6	33	3	7	11	"1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1"	CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)/C=C/[C@H](C[C@H](CC(=O)O)O)O	SEERZIQQUAZTOL-ANMDKAQQSA-N
DG01046	Diethylstilbestrol	448537	"Diethylstilbestrol; 56-53-1; Stilbestrol; Stilboestrol; Distilbene; Agostilben; Estrobene; Estromenin; Stilboestroform; Antigestil; Palestrol; Stilbetin; Synestrin; Vagestrol; Fonatol; Diethylstilbesterol; Menostilbeen; Oestrogenine; Oestromensyl; Oestromienin; Stilbestrone; Synthoestrin; Comestrol; Cyren A; Domestrol; Dyestrol; Estrosyn; Grafestrol; Iscovesco; Microest; Milestrol; Oestromenin; Pabestrol; Sexocretin; Stilboefral; Stilbofolin; Synthofolin; Syntofolin; Diastyl; Makarol; Micrest; Serral; Stilkap; Bufon; Cyren; Desma; Sibol; OeKolp; Dawe's destrol; Hi-Bestrol; Di-Estryl; Dietilestilbestrol; Neo-Oestranol I; Rumestrol 1; Rumestrol 2; Stil-Rol; Acnestrol; Climaterine; Dibestrol; Dicorvin; Gynopharm; Idroestril; Oestromensil; Oestromon; Protectona; Sedestran; Sintestrol; Stibilium; Tylosterone; Comestrol estrobene; Stilbol; Diethylstilboesterol; Oestrol vetag; trans-Diethylstilbestrol; DiBestrol 2 Premix; Bio-des; Estilbin MCO; (E)-Diethylstilbestrol; STIL; neo-Oestranol 1; Tampovagan stilboestrol; DES; Dibestrol '2' premix; trans-Diethylstilbesterol; Synthestrin; trans-Diethylstilboesterol; DES (synthetic estrogen); Stilbestrol, diethyl-; (E)-3,4-Bis(4-hydroxyphenyl)-3-hexene; New-Estranol 1; Diethylstilbestrolum; Percutatrine oestrogenique iscovesco; (E)-4,4'-(hex-3-ene-3,4-diyl)diphenol; 4,4'-Dihydroxydiethylstilbene; Rcra waste number U089; 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol; diethylstilbestrol (DES); 6898-97-1; NSC-3070; Phenol, 4,4'-[(1E)-1,2-diethyl-1,2-ethenediyl]bis-; 4,4'-(3E)-hex-3-ene-3,4-diyldiphenol; cis-Des; (E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol; UNII-731DCA35BT; Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (E)-; trans-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol; 4,4'-Dihydroxy-alpha,beta-diethylstilbene; alpha,alpha'-Diethyl-(E)-4,4'-stilbenediol; CHEMBL411; 4,4'-(Hex-3-ene-3,4-diyl)diphenol; 731DCA35BT; Tampovagan; Destrol; CHEBI:41922; Estril; .alpha.,.alpha.'-Diethylstilbenediol; Diethyl stilbestrol; E-Diethylstilbestrol; strobene; Diaethylstilboestrolum; Estrogenine; Stilbestroform; cis-Diethylstilbesterol; Diethylstilbestrol, mixture of cis and trans; DSSTox_CID_465; 3,4-Bis(p-hydroxyphenyl)-3-hexene; Dietilstilbestrolo; DSSTox_RID_75608; DSSTox_GSID_20465; Dietilstilbestrolo [DCIT]; Dietilestilbestrol [Spanish]; 4,4'-Stilbenediol, .alpha.,.alpha.'-diethyl-, (E)-; Phenol, 4,4'-((1E)-1,2-diethyl-1,2-ethenediyl)bis-; alpha,alpha'-Diethylstilbenediol; Diethylstilbestrolum [INN-Latin]; Dietilestilbestrol [INN-Spanish]; MFCD00002373; Stilbestrol (TN); MG 137; SMR000058263; CCRIS 240; Estilbin ''MCO''; HSDB 3060; SR-01000745070; EINECS 200-278-5; RCRA waste no. U089; BRN 2056095; Stilbestro; Bertrol; Diethylstilbestrol (USP/INN); TRANS-DIETHYSTILBESTEROL; cis-alpha,alpha'-Diethyl-4,4'-stilbenediol; 4,4'-(3-HEXENE-3,4-DIYL)DIPHENOL; 3erd; CAS-56-53-1; NCGC00090749-04; Diethylstilbestrol [USP:INN:BAN]; 4,4'-Stilbenediol, alpha,alpha'-diethyl-, (E)-; Prestwick_1070; (Z)-4,4'-(1,2-Diethyl-1,2-ethylenediyl)bisphenol; Phenol 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (E)-; trans-Diethyl Stilbestrol; Diethylstilbestrol [Nonsteroidal oestrogens]; Prestwick2_000756; Prestwick3_000756; Spectrum5_000799; 4, 2,2'-diethyl-; SCHEMBL9223; BSPBio_000772; BSPBio_002201; 4,4'-Stilbenediol, alpha,alpha'-diethyl-, (Z)-; MLS000028447; MLS002174252; MLS002222298; BIDD:ER0159; SPECTRUM1500244; 4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol; BPBio1_000850; GTPL2801; trans-.alpha.,4'-stilbenediol; ZINC1290; 4, .alpha.,.alpha.-diethyl-; 4-[(E)-1-ethyl-2-(4-hydroxyphenyl)but-1-enyl]phenol; DTXSID3020465; REGID_for_CID_448537; BDBM20625; CHEBI:92795; HMS501J21; RGLYKWWBQGJZGM-ISLYRVAYSA-; 4, .alpha.,.alpha.'-diethyl-; NSC3070; WLN: QR DY2&UY2&R DQ; 3,4'-Dihydroxyphenyl)hex-3-ene; HMS1570G14; HMS1920G08; HMS2090C14; HMS2091M18; HMS2097G14; HMS2232N11; HMS3650A09; HMS3714G14; Pharmakon1600-01500244; 3-Hexene,4-bis(p-hydroxyphenyl)-; NSC 3070; Tox21_202407; Tox21_300526; CCG-38961; Diethylstilbestrol, >=99% (HPLC); NSC756736; Phenol, 4,4'-(1,2-diethyl-1,2-ethylenediyl)bis-, (Z)- (9CI); s1859; STK366318; 3,4-Bis(4-hydroxyphenyl)-3-hexene; AKOS005111142; DIETHYLSTILBESTROL (diethylstilbestr; 4,2-Diethyl-1,2-ethenediyl)bisphenol; DB00255; NSC-756736; IDI1_000519; NCGC00090749-01; NCGC00090749-02; NCGC00090749-03; NCGC00090749-05; NCGC00090749-06; NCGC00090749-07; NCGC00090749-08; NCGC00090749-09; NCGC00090749-15; NCGC00254539-01; NCGC00259956-01; 4, .alpha.,.alpha.'-diethyl-, (E)-; AS-13377; HY-14598; I027; LS-14649; Diethylstilbestrol,mixture of cis and trans; SBI-0051346.P003; 3,4-Bis(p-hydroxyphenyl)-3-hexene, trans; CS-0369240; D0526; SW197137-4; .alpha.,.alpha.'-Diethyl-4,4'-stilbenediol; 3,4-(Di-4-hydroxyphenyl)hex-3-ene, (E)-; 3-Hexene,3,4-bis(p-hydroxyphenyl)-, (E)-; 4,4'-Dihydroxy-.alpha.,.beta.-diethylstilbene; C07620; D00577; D81873; .alpha.,.alpha.'-Diethyl-(E)-4,4'-stilbenediol; 002D373; A831077; Diethylstilbestrol, mixture of cis and trans, 97%; Q423989; SR-01000745070-3; SR-01000745070-4; SR-01000745070-5; SR-01000745070-9; trans-.alpha.,.alpha.'-Diethyl-4,4'-stilbenediol; trans-.alpha.,.alpha.'-diethyl-4-4'-stilbenediol; 4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol, trans; 4,4'-Stilbenediol, .alpha.,.alpha.-diethyl-, (E)-; BRD-K17084514-001-01-7; BRD-K45330754-001-09-2; Diethylstilbestrol, VETRANAL(TM), analytical standard; Phenol,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (E)-; 4,4'-Stilbenediol, alpha,alpha'-diethyl-, (E)- (8CI); Diethylstilbestrol, European Pharmacopoeia (EP) Reference Standard; Diethylstilbestrol, United States Pharmacopeia (USP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:41922	DB00255	DR00922	DR0492	268.3	C18H20O2	40.5	286	5.1	20	2	2	4	"1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+"	CC/C(=C(/CC)\\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)O	RGLYKWWBQGJZGM-ISLYRVAYSA-N
DG01050	Pretomanid	456199	"Pretomanid; PA-824; 187235-37-6; PA 824; PA824; (S)-2-Nitro-6-((4-(trifluoromethoxy)benzyl)oxy)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine; (S)-PA 824; UNII-2XOI31YC4N; 2XOI31YC4N; CHEMBL227875; MMV688755; (6S)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine; (6S)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine; (6S)-2-NITRO-6-{[4-(TRIFLUOROMETHOXY)PHENYL]METHOXY}-5H,6H,7H-IMIDAZO[2,1-B][1,3]OXAZINE; Pretomanid [USAN:INN]; Dovprela; C14H12F3N3O5; Pretomanid (TN); PA-824(Pretomanid); Pretomanid (USAN/INN); MLS006011141; SCHEMBL2983011; DTXSID8041163; GTPL11172; AOB1594; EX-A1749; ZINC3821675; BDBM50363237; CS1245; MFCD06809939; s1162; AKOS024464713; CCG-268145; DB05154; DS-7321; PA- 824; QC-5184; 2-nitro-6-(4-(trifluoromethoxy)benzyloxy)-6,7-dihydro-5H-imidazo(2,1-b)(1,3)oxazine; NCGC00346682-01; NCGC00346682-02; AC-25501; HY-10844; SMR004702918; SW220281-1; X6951; D10722; A855886; SR-05000022748; Q7118312; SR-05000022748-1; (S)-2-nitro-6-(4-(trifluoromethoxy)benzyloxy)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine; {4-[((3S)-6-Nitro(2H,3H,4H-imidazolo[2,1-b]1,3-oxazaperhydroin-3-yloxy))methyl]phenoxy}trifluoromethane; 5H-Imidazo(2,1-b)(1,3)oxazine, 6,7-dihydro-2-nitro-6-((4-(trifluoromethoxy)phenyl)methoxy)-, (6S)-; PA-824; ; ; (6S)-2-Nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine; Pretomanid;(6S)-6,7-Dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-5H-imidazo[2,1-b][1,3]oxazine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB05154	.	DR1338	359.26	C14H12F3N3O5	91.3	468	2.8	25	0	9	4	"1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1"	C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)OC(F)(F)F	ZLHZLMOSPGACSZ-NSHDSACASA-N
DG01051	Cefamandole	456255	"Cefamandole; Cefadole; 34444-01-4; Cephadole; CEPHAMANDOLE; Cefamandol; Cefamandolum; L-Cefamandole; Compound 83405; UNII-5CKP8C2LLI; CHEBI:3480; 5CKP8C2LLI; (6R,7R)-7-(R)-Mandelamido-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-carboxylic acid; (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; Kefdole; (6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; Kefamandol; Mancef; (6R,7R)-7-((R)-2-hydroxy-2-phenylacetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 30034-03-8; Cefamandol [INN-Spanish]; Cefamandole (USAN/INN); Cefamandolum [INN-Latin]; free form; Cefamandole [USAN:INN:BAN]; EINECS 252-030-0; BRN 0598510; Prestwick0_000747; Prestwick1_000747; Prestwick2_000747; Prestwick3_000747; Epitope ID:141490; 7-D-Mandelamido-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-3-cephem-4-carboxylic acid; CHEMBL1146; SCHEMBL37287; BSPBio_000734; COMPOUND-83405; SPBio_002673; BPBio1_000808; DTXSID7022750; J01DC03; HY-B1128; ZINC3830394; BDBM50350468; AKOS025401365; AC-1294; CS-4724; DB01326; (6R,7R)-7-[[(2R)-2-hydroxy-2-phenyl-acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((hydroxyphenylacetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6alpha,7beta(R*)))-; 7beta-[(2R)-2-hydroxy-2-phenylacetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid; C06879; D02344; 444C014; Cefamandole, Antibiotic for Culture Media Use Only; Q2601530; W-106736; BRD-K27130738-236-03-4; (6R,7R)-7-((R)-2-hydroxy-2-phenylacetamido)-3-((1-methyl-1H-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[(2R)-2-hydroxy-2-phenylacetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7R)-; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, 6R,7R)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3480	DB01326	DR00551	.	462.5	C18H18N6O5S2	201	777	-0.9	31	3	10	7	"1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1"	CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)O)SC2)C(=O)O	OLVCFLKTBJRLHI-AXAPSJFSSA-N
DG01052	Dactinomycin	457193	"DACTINOMYCIN; actinomycin D; Actinomycin C1; Actinomycin IV; Cosmegen; Meractinomycin; 50-76-0; Dactinomycinum; ActD; Actinomycin I1; Oncostatin K; ACT D; Dactinomycine [INN-French]; Dactinomycinum [INN-Latin]; UNII-1CC1JFE158; Dactinomicina [INN-Spanish]; Lyovac cosmegen; Dactinomycin D; Chounghwamycin B; Actinomycin 7; ACTINOMYCIN-D; NCI-C04682; MFCD00005033; Dilactone actinomycin D acid; Actinomycin Aiv; Actinomycin I; GNF-Pf-2290; MLS001424196; 1CC1JFE158; Actinomycin X1; CHEBI:27666; Actinomycin X 1; Actinomycin A IV; Acto-D; Actactinomycin A IV; Actinomycin C(sub1); Dilactone actinomycindioic D acid; NCGC00161622-02; Actinomycin I(sub 1); SMR000469227; DSSTox_CID_31; Actinomycin 11 cosmegen; Cosmegen Lyovac; Lyovac-Cosmegen; CCRIS 9; DSSTox_RID_75330; DSSTox_GSID_20031; 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide; HSDB 3220; Dactinomicina; Dactinomycine; Actinomycindioic D acid, dilactone; Antibiotic from Streptomyces parvullus; Actinomycin-(threo-val-pro-sar-meval); CAS-50-76-0; ACT [antibiotic]; X 97; 2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide; AD (VAN); GNF-PF-1977; NSC3053; NSC-3053; Glycopeptide, 4a; 2-amino-4,6-dimethyl-3-oxo-N,N'-bis[(6S,9R,10S,13R,18aS)-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3H-phenoxazine-1,9-dicarboxamide; NSC 3053; Dactinomycin [USAN:USP:INN:BAN]; EINECS 200-063-6; AI3-26374; UPCMLD-DP055; SCHEMBL3844; CHEMBL1554; cid_457193; DTXSID9020031; UPCMLD-DP055:001; UPCMLD-DP055:002; BDBM43866; HMS2052O17; Tox21_111997; Tox21_202482; BDBM50089528; s8964; AKOS030228553; Tox21_111997_1; CCG-101134; DB00970; NC00384; NCGC00090796-01; NCGC00161622-01; NCGC00260031-01; NCGC00271789-02; 3H-Phenoxazine-1,9-dicarboxamide, 2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-; BP-25384; Specific stereoisomer of N,N'-((2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-diyl)-bis(carbonylimino(2-hydroxypropylidene)carbonyliminoisobutylidenecarbonyl-1,2-pyrrolidinediylcarbonyl(methylimino)methylenecarbonyl))bis(N-methyl-L-valine) dilactone; Stereoisomer of N,N'-((2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-diyl)bis(carbonylimino(2-(1-hydroxyethyl)-1-oxo-2,1-ethanediyl)imino(2-(1-methylethyl)-1-oxo-2,1-ethanediyl)-1,2-pyrrolidinediylcarbonyl(methylimino) (1-oxo-2,1-ethanediyl)))bis(N-methyl-L-valine)di-xi-lactone; AB00514445-05; 050A760; Q186127; SR-01000763161; SR-01000763161-4; Actinomycin D, from Streptomyces sp., >=95% (HPLC); Actinomycin D, from Streptomyces sp., ~98% (HPLC); BRD-K70578146-001-01-8; BRD-K70578146-001-04-2; UNII-0OCC969V50 component RJURFGZVJUQBHK-IIXSONLDSA-N; Dactinomycin, United States Pharmacopeia (USP) Reference Standard; Actinomycin D, for fluorescence, >=90% (HPLC), from Streptomyces sp.; Actinomycin D, from Streptomyces sp., suitable for cell culture, >=95%; 1-N,9-N-bis[(6S,9R,10S,13R,18aS)-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-bis(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide; 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis-[(18aS)-10c,14,17-trimethyl-5,8,12,15,18-pentaoxo-6c,13t-di(propan-2-yl)-18ar-hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-9c-yl]-3H-phenoxazine-1,9-dicarboxamide; 2-amino-4,6-dimethyl-3-oxo-N1,N9-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide; 2-amino-N,N''''''''-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide; 2-amino-N,N''''-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide; 2-amino-N,N''-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide; 2-amino-N1,N9-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-phenoxazine-1,9-dicarboxamide; 2-azanyl-4,6-dimethyl-3-oxidanylidene-N1,N9-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00970	.	.	1255.4	C62H86N12O16	356	3030	3.8	90	5	18	8	"1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1"	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N
DG01053	Tiazofurin	457954	"TIAZOFURIN; Tiazofurine; 60084-10-8; Riboxamide; 2-b-D-Ribofuranosyl-4-thiazolecarboxamide; Tiazofurinum; Tiazofurina; Tiazofurin [USAN]; TCAR; NSC-286193; UNII-ULJ82834RE; CI-909; Tiazofurine (INN); Tiazofurin (USAN); 2-beta-D-Ribofuranosyl-4-thiazolecarboxamide; ULJ82834RE; CHEBI:90239; Tiazofurine [INN]; 2-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)thiazole-4-carboxamide; Tiazofurinum [Latin]; Tiazofurina [Spanish]; 2-(beta-D-ribofuranosyl)-4-thiazolecarboxamide; (1R)-1,4-anhydro-1-(4-carbamoyl-1,3-thiazol-2-yl)-D-ribitol; (1r)-1-[4-(Aminocarbonyl)-1,3-Thiazol-2-Yl]-1,4-Anhydro-D-Ribitol; BRN 1084555; Cpd-5825; 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]thiazole-4-carboxamide; 2-beta-D-Ribofuranosylthiazole-4-carboxamide; 4-Thiazolecarboxamide, 2-beta-D-ribofuranosyl-; SCHEMBL4287; 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide; DIBUTYLAMINEHYDROCHLORIDE; CHEMBL108358; DTXSID00208827; ZINC4217560; 8957AB; BDBM50368057; MFCD00866494; DB13243; BS-17271; HY-114570; CS-0063433; C22196; D06130; W18798; Q7800305"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:90239	.	.	DR2129	260.269	C9H12N2O5S	154	305	-1.7	17	4	7	3	"1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1"	C1=C(N=C(S1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N	FVRDYQYEVDDKCR-DBRKOABJSA-N
DG01054	Efinaconazole	489181	"EFINACONAZOLE; 164650-44-6; (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol; KP-103; JUBLIA; UNII-J82SB7FXWB; KP103; J82SB7FXWB; CHEBI:82718; 164905-19-5; (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol; Kp 103; Efinaconazole [USAN:INN]; efinaconazol; efinaconazolum; Clenafin; IDP-108; Clenafin (TN); Jublia (TN); Efinaconazole(KP-103); Efinaconazole; KP-103; SCHEMBL300738; ZINC6251; CHEMBL2103877; Efinaconazole (JAN/USAN/INN); C18H22F2N4O; HSDB 8341; DTXSID40167787; BCP11665; EX-A2643; 2856AH; MFCD00936406; s5025; AKOS027323571; CCG-268012; CS-3500; DB09040; NCGC00390702-01; NCGC00390702-02; NCGC00390702-03; (2R,3R)-2-(2,4-Difluorofenil)-3-(4-metilenopiperidin-1-il)-1-(1H-1,2,4-triazin-1-il)butan-2-ol; AC-30630; AS-30126; HY-15660; D10021; A854585; Q21011225; (2R, 3R)-2-(2,4-Difluorophenyl)-3-(4-methylenepiperidyl)-1-(1,2,4-triazolyl)butan-2-ol; (2R,3R)-2-(2,4-Difluorophenyl)-3-(4-methylene-1-piperidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol; (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylene-1-piperidyl)-1-(1,2,4-triazol-1-yl)butan-2-ol; (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)butane-2-ol; (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidino)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol; (alphaR,betaR)-alpha-(2,4-Difluorophenyl)-beta-methyl-4-methylene-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidineethanol; 1-Piperidineethanol, alpha-(2,4-difluorophenyl)-beta-methyl-4-methylene-alpha-(1H-1,2,4-triazol-1- ylmethyl)-, (alphaR,betaR)-; 1-Piperidineethanol, alpha-(2,4-difluorophenyl)-beta-methyl-4-methylene-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, (alphaR,betaR)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:82718	DB09040	.	.	348.4	C18H22F2N4O	54.2	470	2	25	1	6	5	"1S/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18-/m1/s1"	C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=C)CC3	NFEZZTICAUWDHU-RDTXWAMCSA-N
DG01055	Cefpiramide	636405	"Cefpiramide; 70797-11-4; Cefpiramide acid; Cefpiramido; Cefpiramidum; UNII-P936YA152N; (6R,7R)-7-[[(2R)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; CHEBI:59213; P936YA152N; NCGC00167444-01; WY-44,635; SM 1652; SM-1652; (7R)-7-[[(2R)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; WY-44635; (6R,7R)-7-((R)-2-(4-Hydroxy-6-methylnicotinamido)-2-(4-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; WY 44,635; C25H24N8O7S2; Cefpiramidum [INN-Latin]; Cefpiramido [INN-Spanish]; Cefpiramide [USAN:USP:INN]; NSC-759869; WY 44635; Cefpiramide (USP/INN); DSSTox_CID_26630; DSSTox_RID_81778; DSSTox_GSID_46630; SCHEMBL49253; CHEMBL1201204; DTXSID6046630; GTPL12027; HMS3715H12; ZINC4215257; Tox21_112448; MFCD00864893; s5186; AKOS025311237; CCG-221235; DB00430; NSC 759869; NCGC00167444-04; (6R,7R)-7-((R)-2-(4-Hydroxy-6-methylnicotinamido)-2-(p-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; AS-14170; K197; CAS-70797-11-4; D03428; 797C114; Q4921174; BRD-K92872987-001-02-9; (6R,7R)-7-((R)-2-(4-hydroxy-6-methylnicotinamido)-2-(4-hydroxyphenyl)acetamido)-3-((1-methyl-1H-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[(2R)-2-[(4-hydroxy-6-methylpyridin-3-yl)formamido]-2-(4-hydroxyphenyl)acetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-{[(4-hydroxy-6-methylpyridin-3-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (7R)-7-((R)-2-(4-hydroxy-6-methylnicotinamido)-2-(4-hydroxyphenyl)acetamido)-3-((1-methyl-1H-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((((4-hydroxy-6-methyl-3-pyridinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6alpha,7beta(R*)))-; 7beta-[(2R)-2-{[(4-hydroxy-6-methylpyridin-3-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:59213	DB00430	.	.	612.6	C25H24N8O7S2	259	1270	-0.1	42	5	13	9	"1S/C25H24N8O7S2/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40)/t17-,18-,23-/m1/s1"	CC1=CC(=O)C(=CN1)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O	PWAUCHMQEXVFJR-PMAPCBKXSA-N
DG01059	Vasopressin	644077	"ARGIPRESSIN; 113-79-1; Arginine vasopressin; Argipressine; Pitressin; beta-Hypophamine; 8-Arginine-vasopressin; Argipressin tannate; Vasopressin (arginine form); UNII-Y4907O6MFD; Arginine-vasopressin; CHEBI:34543; Vasophysin; Arg-vasopressin; CHEMBL373742; Y4907O6MFD; (Arg8)-Vasopressin; [Arg8]-Vasopressin; (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide; 8-L-Arginine vasopressin; Argipresina; Argipressina; Argipressinum; AVP; Arg8-vasopressin; Argipressin [INN]; Argipressina [DCIT]; NCGC00166306-01; Argipressin [INN:BAN]; 8-L-Arginine-vasopressin; Argipresina [INN-Spanish]; Argipressine [INN-French]; Argipressinum [INN-Latin]; Rindervasopressin; [3H]vasopressin; EINECS 204-035-4; 3-(Phenylalanine)-8-arginineoxytocin; Arginine-8-vasopressin; Argipressin or lypressin; [8-Arginine]vasopressin; [3H]Argipressin tannate; antidiuretic hormone (ADH); arginine vasopressin (AVP); Argipressin tannate [USAN]; Arginine antidiuretic hormone; DSSTox_CID_28324; DSSTox_RID_82752; DSSTox_GSID_48349; SCHEMBL43139; Vasopressin, 8-L-arginine-; [cyclo S-S]CYFQNCPRG-NH2; GTPL2168; DTXSID0048349; SCHEMBL17874853; BDBM35667; Tox21_113037; BDBM50044777; MFCD00076738; NCGC00166306-02; NCGC00188439-01; CAS-113-79-1; h-cys-tyr-phe-gln-asn-cys-pro-arg-gly-nh2; Oxytocin, 3-(L-phenylalanine)-8-L-arginine-; Vasopressin, 8-L-arginine- (7CI,8CI,9CI); roxybenzyl-6,9,12,15,18-pentaoxo- (6CI); 113A791; Q183011; Cys-Tyr-Phe-Gln-Asn-Cys-Pro-Arg-Gly-NH2[Disulfide Bridge: 1-6]; (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide; 1,2-Dithia-5,8,11,14,17-pentaazacycloeicosane-10-propionamide, 19-amino-13-benzyl-7-(carbamoylmethyl)-4-[2-[[1-[(carbamoylmethyl)carbamoyl]-4-guanidinobutyl]carbamoyl]-1-pyrrolidinylcarbonyl]-16-p-hyd; 1-{[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-arginylglycinamide; Glycinamide, L-cysteinyl-L-tyrosyl-L-phenylalanyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-arginyl-, cyclic (1>6)-disulfide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:34543	.	DR00247	.	1084.2	C46H65N15O12S2	515	2070	-4.8	75	14	16	19	"1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1"	C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N	KBZOIRJILGZLEJ-LGYYRGKSSA-N
DG01060	Cefsulodin	656575	"Cefsulodin; Cefsulodine; Cefsulodinum; Cefsulodino; 62587-73-9; UNII-OV42LHE42B; OV42LHE42B; (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; CHEBI:3507; (6R,7R)-3-[(4-carbamoylpyridinium-1-yl)methyl]-8-oxo-7-{[(2R)-2-phenyl-2-sulfoacetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 7beta-{[(2R)-2-phenyl-2-sulfoacetyl]amino}-3-(4-carbamoylpyridinium-1-yl)methyl-3,4-didehydrocepham-4-carboxylate; Cefsulodin [INN:BAN]; Cefsulodine [INN-French]; Cefsulodinum [INN-Latin]; Cefsulodino [INN-Spanish]; Cefonomil; Cefsulodin (INN); Epitope ID:120379; SCHEMBL65525; CGP7174/E; GTPL10783; CGP-7174-E; DB13499; (6R,7R)-3-((4-carbamoylpyridinio)methyl)-8-oxo-7-((R)-2-phenyl-2-sulfoacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carboxylat; 4-Carbamoyl-1-(((6R,7R)-2-carboxy-8-oxo-7-((2R)-2-phenyl-2-sulfoacetaido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)pyridinium hydroxide, inner salt; D07653; Pyridinium, 4-(aminocarbonyl)-1-((2-carboxy-8-oxo-7-((phenylsulfoacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, inner salt, (6R-(6alpha,7beta(R*)))-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3507	.	.	.	532.6	C22H20N4O8S2	225	1050	0.2	36	3	9	7	"1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/t15-,17-,21-/m1/s1"	C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)S(=O)(=O)O)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N	SYLKGLMBLAAGSC-QLVMHMETSA-N
DG01062	Leuprolide	657181	"Leuprorelin; leuprolide; 53714-56-0; Eligard; Leuprorelina; Leuproreline; Leuprorelinum; UNII-EFY6W0M8TG; EFY6W0M8TG; CHEBI:6427; MFCD00167544; Leuprorelin [INN:BAN]; Leuproreline [INN-French]; Leuprorelinum [INN-Latin]; Leuprorelina [INN-Spanish]; Leuporelin; CCRIS 8462; HSDB 6518; NSC-377526; (-)-leuprolide; LH-RH Leuprolide; C59H84N16O12; NSC 377526; Leuprorelin slow release; Leuprorelin acetate (JAN); Leuprolide acetate (USAN); SCHEMBL4585; TAP-144 FREE BASE; GTPL1175; CHEMBL1201199; CKD-841; DTXSID50872411; ABBOTT-43818 FREE BASE; 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-D-leucyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide; (D-Leu(sup 6),des-gly-NH2(sup 10),pro-ethylamide(sup 9))-GNRH; (D-Leu(sup 6),des-gly-NH2(sup 10),pro-ethylamide(sup 9))-LHRH; BDBM50369395; AKOS015892744; AKOS030213246; AKOS037515838; CCG-270656; CS-4947; DB00007; HS-2016; (D-Leu(sup 6),des-gly-NH2(sup 10),pro-ethylamide(sup 9))-gonadotropin-releasing hormone; NCGC00485984-01; HY-12553; I025; Leuprolide acetate salt, >=98% (HPLC); C75519; pGlu-His-Trp-Ser-Tyr-D-Leu-Leu-Arg-Pro-NHEt; BISPHENOLA-(3-CHLORO-2-HYDROXYPROPYL)-&; 714L560; Fensolvi (leuprolide acetate injectable suspension); pGlu-His-Trp-Ser-Tyr-D-Leu-Leu-Arg-Pro-NHC2H5; Q907160; Leuprolide acetate, United States Pharmacopeia (USP) Reference Standard; (D-Leu(6),des-Gly-NH2(10),Pro-ethylamide(9))-gonadotropin-releasing hormone; (S)-N-ethyl-1-(((S)-5-oxopyrrolidine-2-carbonyl)-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-D-leucyl-L-leucyl-L-arginyl)pyrrolidine-2-carboxamide; L-pyroglutamyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-D-leucyl-L-leucyl-L-arginyl-L-proline ethylamide; Luteinizing hormone-releasing factor (pig), 6-D-leucine-9-(N-ethyl-L-prolinamide)-10-deglycinamide-; Luteinizing hormone-releasing hormone (pig), 6-D-leucine-9-(N-ethyl-L-prolinamide)-10-deglycinamide-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6427	.	.	.	1209.4	C59H84N16O12	432	2390	0.7	87	15	14	32	"1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)/t40-,41-,42-,43+,44-,45-,46-,47-,48-/m0/s1"	CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6	GFIJNRVAKGFPGQ-LIJARHBVSA-N
DG01067	Etomidate	667484	"Etomidate; 33125-97-2; Hypnomidate; (+)-Etomidate; D-Etomidate; Amidate; Etomidato; Etomidatum; (R)-ETHYL 1-(1-PHENYLETHYL)-1H-IMIDAZOLE-5-CARBOXYLATE; ethyl 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylate; Radenarcon; R 16659; UNII-Z22628B598; (+)-Ethyl 1-(alpha-methylbenzyl)imidazole-5-carboxylate; R-(+)-Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate; CHEMBL681; (R)-(+)-1-(alpha-Methylbenzyl)imidazole-5-carboxylic acid ethyl ester; Amidate (pharmaceutical); CHEBI:4910; ethyl (R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylate; (R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic acid ethyl ester; 1H-Imidazole-5-carboxylic acid, 1-[(1R)-1-phenylethyl]-, ethyl ester; ethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate; 3-((R)-1-Phenyl-ethyl)-3H-imidazole-4-carboxylic acid ethyl ester; Z22628B598; 1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, ethyl ester, (R)- [CAS]; (d)-Etomidate; Etomidic acid; Etomidatum [INN-Latin]; Etomidato [INN-Spanish]; 1H-Imidazole-5-carboxylic acid, 1-((1R)-1-phenylethyl)-, ethyl ester; SMR000466277; Amidate (TN); 1-(1-Phenylethyl)-1H-imidazole-5-carboxylic acid ethyl ester; MFCD00869295; NSC-759160; Etomidate [USAN:USP:INN:BAN]; R(+)-etomidate; EINECS 251-385-9; R-ETOMIDATE; BRN 0665833; Etomidate (USP/INN); 1-(alpha-Methylbenzyl)-1H-imidazole-5-carboxylic acid ethyl ester; SCHEMBL39487; MLS000758268; MLS001424163; GTPL5463; ZINC1408; 1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, ethyl ester, (+)-; Etomidate 0.1 mg/ml in Methanol; Etomidate 1.0 mg/ml in Methanol; 1-(1-Phenylethyl)-imidazole-5-carboxylic acid, ethyl ester; HMS2051P18; HMS2232A08; HMS3267N06; HMS3412D11; HMS3676D11; HY-B0100; Etomidate, >98% (HPLC), powder; BDBM50125935; AKOS015920052; CCG-101054; CS-1833; DB00292; GS-3208; NC00304; NSC 759160; NCGC00025176-01; AM803710; E0897; C07522; D00548; J10465; AB00639951_06; 125E972; Q418445; R-16659; SR-01000597569; Q-201102; SR-01000597569-1; BRD-K55055802-001-10-2; Etomidate, European Pharmacopoeia (EP) Reference Standard; r-(+)-ethyl-1-(1-phenylethyl)-1h-imidazole-5-carboxylate; Ethyl (R)-(+)-1-(1-Phenylethyl)-1H-imidazole-5-carboxylate; Etomidate, United States Pharmacopeia (USP) Reference Standard; (R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylicacid ethyl ester; (R)-(+)-1-(1-Phenylethyl)-1H-imidazole-5-carboxylic Acid Ethyl Ester; Imidazole-5-carboxylic acid, 1-(alpha-methylbenzyl)-, ethyl ester, (R)-(+)-; V8D"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4910	DB00292	.	.	244.29	C14H16N2O2	44.1	277	3	18	0	3	5	"1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1"	CCOC(=O)C1=CN=CN1[C@H](C)C2=CC=CC=C2	NPUKDXXFDDZOKR-LLVKDONJSA-N
DG01068	Crotamiton	688020	"Crotamiton; 483-63-6; N-Ethyl-o-crotonotoluidide; Crotamitone; Eurax; trans-Crotamiton; 124236-29-9; Crotalgin; Veteusan; Eurasil; Euraxil; Crotamitonum; Crotamitex; Crotonyl-N-ethyl-o-toluidine; (E)-N-ethyl-N-(2-methylphenyl)but-2-enamide; UNII-2EEH27851Y; (E)-N-Ethyl-N-(o-tolyl)but-2-enamide; o-CROTONOTOLUIDIDE, N-ETHYL-; 2-Butenamide, N-ethyl-N-(2-methylphenyl)-; (2E)-N-ethyl-N-(2-methylphenyl)but-2-enamide; 2EEH27851Y; MFCD00026989; NSC-758951; Crotan; Caswell No. 431B; Bestloid; Crotamitonum [INN-Latin]; SMR000059145; N-ethyl-N-(2-methylphenyl)but-2-enamide; Crotamiton, (E)-; SR-01000759366; EINECS 207-596-3; EPA Pesticide Chemical Code 055701; CHEBI:31439; BRN 3275497; N-Ethyl-N-(2-methylphenyl)-2-butenamide; AI3-17732; (E)-crotamiton; Crotamiton [USP:INN:BAN:JAN]; Eurax (TN); Prestwick2_000951; Prestwick3_000951; N-ethylcrotono-o-toluidide; N-Ethyl-o-crotonotoluidine; G 7857; N-Ethyl- o-crotonotoluidide; SCHEMBL32934; BSPBio_000942; BSPBio_002722; Crotamiton (JAN/USP/INN); 3-12-00-01856 (Beilstein Handbook Reference); MLS000759489; MLS001424003; MLS002222307; MLS002695895; N-Ethyl-ortho-crotonotoluidide; SPECTRUM1505271; 2-Butenamide, N-ethyl-N-(2-methylphenyl)-, (E)-; 2-Butenamide, N-ethyl-N-(2-methylphenyl)-, (2E)-; BPBio1_001038; component of Eurax (Salt/Mix); N-Crotonyl-N-ethyl-o-toluidine; CHEMBL1200709; GTPL11165; ZINC56427; N-Ethyl-o-crotonotoluidide, 97%; HMS1570P04; HMS1922P21; HMS2051E10; HMS2090A10; HMS2093O12; HMS2097P04; HMS2234E16; HMS3714P04; Pharmakon1600-01505271; BCP13315; HY-B1177; NSC78382; CCG-39402; NSC-78382; NSC758951; s1711; (E)-N-ethyl-N-o-tolylbut-2-enamide; AKOS015892746; CS-4730; NC00107; NSC 758951; NCGC00094571-01; NCGC00094571-02; NCGC00094571-03; NCGC00094571-04; NCGC00094571-05; AS-11641; trans-N-Ethyl-N-(o-tolyl)-2-butenamide; SBI-0206763.P001; AB00513973; E0814; N-Ethyl-N-(2-methylphenyl)-2-butenamide #; D01381; D70888; AB00513973-09; AB00513973_10; 483C636; A827519; Q-200893; Q2439845; SR-01000759366-4; SR-01000759366-6; BRD-K13240564-001-01-8; BRD-K57179821-001-05-5; BRD-K57179821-001-08-9; Crotamiton, British Pharmacopoeia (BP) Reference Standard; Crotamiton, European Pharmacopoeia (EP) Reference Standard; UNII-D6S4O4XD0H component DNTGGZPQPQTDQF-XBXARRHUSA-N; Crotamiton, United States Pharmacopeia (USP) Reference Standard; N-Ethyl-o-crotonotoluidide; Crotamitone; Crotalgin; Eurasil; Euraxil"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31439	DB00265	.	.	203.28	C13H17NO	20.3	235	2.8	15	0	1	3	"1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+"	CCN(C1=CC=CC=C1C)C(=O)/C=C/C	DNTGGZPQPQTDQF-XBXARRHUSA-N
DG01069	Pyrantel	708857	"PYRANTEL; 15686-83-6; Strongid; Pirantele [DCIT]; Pirantel; Pyrantelum; Pyrequan; Pyrantel [INN:BAN]; UNII-4QIH0N49E7; (E)-1-Methyl-2-(2-(thiophen-2-yl)vinyl)-1,4,5,6-tetrahydropyrimidine; E-1,4,5,6-Tetrahydro-1-methyl-2-(2-(2-thienyl)vinyl)pyrimidine; 4QIH0N49E7; CHEBI:8654; Pirantele; Pirantel [INN-Spanish]; Pyrantelum [INN-Latin]; Pin-X; HSDB 3252; EINECS 239-774-1; Konvermex; pyrantel-pamoate; 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine; Konvermex (TN); Pyrantel (INN); MLS006011881; SCHEMBL164730; 1-methyl-2-(2-thiophen-2-ylethenyl)-5,6-dihydro-4H-pyrimidine; CHEMBL1626223; DTXSID5023538; CHEBI:94685; ZINC97996; HMS1541D15; 1-methyl-2-[(E)-2-(2-thienyl)vinyl]-1,4,5,6-tetrahydropyrimidine; 1-methyl-2-[(E)-2-(2-thienyl)vinyl]-5,6-dihydro-4H-pyrimidine; STK676402; 1-methyl-2-[(E)-2-(thiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidine; AKOS005594318; Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-(2-(2-thienyl)vinyl)-, (E)-; DB11156; NCGC00174007-01; NCGC00174007-02; SMR004703508; C07409; D08451; AB00053538-07; AB00053538_08; A906579; Q426897; SR-01000802778; SR-01000802778-4; BRD-K20672254-046-02-1; BRD-K63072637-046-01-2; 1,4,5,6-Tetrahydro-1-methyl-2-[2-(2-thienyl)ethenyl]pyrimidine; 1-Methyl-2-(2-(thiophen-2-yl)vinyl)-1,4,5,6-tetrahydropyrimidine; 1,4,5,6-tetrahydro-1-methyl-2-[(1e)-2-(2-thienyl)ethenyl]-pyrimidine; 1,4,5,6-Tetrahydro-1-methyl-2-[(E)-2-(2-thienyl)vinyl]pyrimidine; 1-Methyl-2-[(E)-2-(2-thienyl)ethenyl]-1,4,5,6-tetrahydropyrimidine; 1-Methyl-2-[(E)-2-(2-thienyl)ethenyl]-1,4,5,6-tetrahydropyrimidine #; Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)ethenyl]-; Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-(2-(2-thienyl)ethenyl)-, (E)- (9CI); 5686-02-2"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8654	DB11156	.	DR1371	206.31	C11H14N2S	43.8	248	1.6	14	0	2	2	"1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3/b6-5+"	CN1CCCN=C1/C=C/C2=CC=CS2	YSAUAVHXTIETRK-AATRIKPKSA-N
DG01081	Luliconazole	3003141	"Luliconazole; 187164-19-8; Lulicon; NND-502; Luzu; PR-2699; (2E)-2-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile; UNII-RE91AN4S8G; NND 502; RE91AN4S8G; NCGC00182704-01; NCGC00182704-02; CHEBI:34825; (2E)-2-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-acetonitrile; (R,E)-2-(4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene)-2-(1H-imidazol-1-yl)acetonitrile; NCGC00182704-03; 2-[(2E,4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-(1H-imidazol-1-yl)acetonitrile; DSSTox_CID_28533; DSSTox_RID_82805; DSSTox_GSID_48607; NND502; CAS-187164-19-8; Luliconazole [USAN:INN]; 4-(2,4-Dichlorophenyl)-1,3-dithiolan-2-ylidene-1-imidazolylacetonitrile; Lulicon (TN); Imidazole antimycotic; Luzu (TN); Lulicon; ; ; NND 502; SCHEMBL342362; GTPL7366; Luliconazole (JAN/USAN/INN); CHEMBL2105689; DTXSID3048607; Luliconazole, >=98% (HPLC); ZINC3929486; Tox21_112942; Tox21_112974; MFCD00953915; s4258; AKOS015897320; Tox21_112974_1; AM84645; BCP9000863; CCG-268075; CS-0587; DB08933; DS-3278; (2E)-((4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene)(1H-imidazol-1-yl)acetonitrile; NCGC00182704-08; HY-14283; SW219226-1; D01980; 164L198; A813122; SR-01000945039; SR-01000945039-1; Q15624030; UNII-5JA16R08FJ component YTAOBBFIOAEMLL-REQDGWNSSA-N; (-)-(E)-((4R)-4-(2,4-Dichlorophenyl)-1,3-dithiolan-2-ylidene)(1H-imidazol-1-yl)acetonitrile; 1H-Imidazole-1-acetonitrile, alpha-((4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene)-, (alphaE)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:34825	DB08933	.	.	354.3	C14H9Cl2N3S2	92.2	476	4	21	0	4	2	"1S/C14H9Cl2N3S2/c15-9-1-2-10(11(16)5-9)13-7-20-14(21-13)12(6-17)19-4-3-18-8-19/h1-5,8,13H,7H2/b14-12+/t13-/m0/s1"	C1[C@H](S/C(=C(\\C#N)/N2C=CN=C2)/S1)C3=C(C=C(C=C3)Cl)Cl	YTAOBBFIOAEMLL-REQDGWNSSA-N
DG01087	Pivampicillin	33478	"Pivampicillin; Pivaloylampicillin; 33817-20-8; Pivaloyloxymethyl ampicillinate; Pivampicilina; Pivampicilline; Pivampicillinum; Ampicillin pivaloyloxymethyl ester; Pivampicilina [INN-Spanish]; Pivampicilline [INN-French]; Pivampicillinum [INN-Latin]; UNII-0HLM346LL7; 0HLM346LL7; CHEBI:8255; 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; DSSTox_CID_25459; DSSTox_RID_80890; DSSTox_GSID_45459; 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; Pivampicillin [INN:BAN]; MK 191; Pondocillin (TN); Pivampicillin (INN); EINECS 251-688-6; NCGC00016823-01; CAS-33817-20-8; Prestwick0_001009; Prestwick1_001009; Prestwick2_001009; Prestwick3_001009; SCHEMBL34182; BSPBio_001137; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (2S-(2alpha,5alpha,6beta(S*)))-; SPBio_003018; BPBio1_001251; CHEMBL3182343; DTXSID1045459; HMS1571I19; HMS2098I19; HMS3715I19; Tox21_110631; MK-191; ZINC34967244; Tox21_110631_1; CCG-221009; DB01604; NCGC00179290-01; NCGC00179290-03; [(2,2-dimethylpropanoyl)oxy]methyl 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylate; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-, hydroxymethyl ester, pivalate (ester), D-(-)-; AB00513999; D08396; SR-01000872693; Q3122143; SR-01000872693-1; (2S,5R,6R)-pivaloyloxymethyl 6-((R)-2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; {[(2S,5R,6R)-6-[(2R)-2-amino-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]carbonyloxy}methyl 2,2-dimethylpropanoate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8255	DB01604	.	.	463.5	C22H29N3O6S	153	774	2.9	32	2	8	9	"1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/t13-,14-,15+,18-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OCOC(=O)C(C)(C)C)C	ZEMIJUDPLILVNQ-ZXFNITATSA-N
DG01088	Lorcainide	42884	"LORCAINIDE; lorcainid; 59729-31-6; UNII-KGJ2T0N7IQ; KGJ2T0N7IQ; Ro 13-1042; Lorcainidum; Lorcainida; N-(4-chlorophenyl)-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide; N-(4-Chlorophenyl)-N-(1-isopropylpiperidin-4-yl)-2-phenylacetamide; 4'-Chloro-N-(1-isopropyl-4-piperidinyl)-2-phenylacetanilide; Lorcainide [INN:BAN]; Lorcainidum [INN-Latin]; Benzeneacetamide, N-(4-chlorophenyl)-N-(1-(1-methylethyl)-4-piperidinyl)-; Benzeneacetamide, N-(4-chlorophenyl)-N-[1-(1-methylethyl)-4-piperidinyl]-; Lorcainida [INN-Spanish]; Lorcainide hydrochloride (USAN); BRN 0497568; 4'-Chloro-N-(1-isopropyl-4-piperidyl)-2-phenylacetanilide; Lorcainide (INN); Spectrum_001714; N-(4-Chlorophenyl)-N-(1-(1-methylethyl)-4-piperidinyl)benzeneacetamide; KBioSS_002194; 5-22-08-00059 (Beilstein Handbook Reference); CHEMBL87543; SCHEMBL364045; DTXSID2023226; KBio2_002194; KBio2_004762; KBio2_007330; CHEBI:135568; ZINC537935; BDBM50237589; AKOS027327571; N-(4-chlorophenyl)-2-phenyl-N-[1-(propan-2-yl)piperidin-4-yl]acetamide; DB13653; NCGC00487358-02; FT-0758616; RO-13-1042; D08020; A857054; Q6678811; N-(4-Chlorophenyl)-N-(1-isopropyl-4-piperidinyl)-2-phenylacetamide #; N-(4-chlorophenyl)-N-[1-(1-methylethyl)piperidin-4-yl]-2-phenylacetamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135568	.	.	.	370.9	C22H27ClN2O	23.6	433	4.6	26	0	2	5	"1S/C22H27ClN2O/c1-17(2)24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3"	CC(C)N1CCC(CC1)N(C2=CC=C(C=C2)Cl)C(=O)CC3=CC=CC=C3	XHOJAWVAWFHGHL-UHFFFAOYSA-N
DG01091	Methacycline	54675785	"Methacycline; Metacycline; 914-00-1; Rondomycin; Methylenecycline; Tri-methacycline; Methacyclinum; 6-Methyleneoxytetracycline; Metacyclinum; Metaciclina; 6-Methylene-5-oxytetracycline; 6-Methylene-5-hydroxytetracycline; GS-2876; 6-Deoxy-6-demethyl-6-methylene-5-oxytetracycline; Bialatan; 6-Demethyl-6-deoxy-5-hydroxy-6-methylenetetracycline; Methacycline base; UNII-IR235I7C5P; Metacycline (INN); Methacycline amphoteric; MOTC; CHEBI:6805; C22H22N2O8; IR235I7C5P; Metacycline [INN]; Oxytetracycline, 6-methylene-; (4S,4aR,5S,5aR,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide; Metacyclinum [INN-Latin]; Methacycline [USAN:BAN]; Metaciclina [INN-Spanish]; Metacycline hydrochloride; 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-2-naphthacenecarboxamide; (4S,4aR,5S,5aR,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide; 2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-, (4S,4aR,5S,5aR,12aS)-; GS 2876; Methacycline (USAN); HSDB 3118; EINECS 213-017-5; 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-, (4S-(4alpha,4aalpha,5alpha,5aalpha,12aalpha))-; Spectrum_000381; Prestwick0_000964; Prestwick1_000964; Prestwick2_000964; Prestwick3_000964; Spectrum2_001398; Spectrum3_000917; Spectrum4_001016; Spectrum5_001576; SCHEMBL4014; SCHEMBL4015; BSPBio_000967; KBioGR_001511; KBioSS_000861; (4S,4aR,5S,5aR,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylidene-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide; DivK1c_000591; SPBio_001416; SPBio_002888; BPBio1_001065; CHEMBL249837; DTXSID2023272; SCHEMBL19555132; KBio1_000591; KBio2_000861; KBio2_003429; KBio2_005997; KBio3_001894; NINDS_000591; KUC106428N; BCP24961; KSC-12-231A; ZINC4019716; 8169AH; BDBM50103629; BDBM50565697; ZINC85650610; AKOS015961140; ZINC100017626; DB00931; MCULE-8490229191; IDI1_000591; NCGC00179358-01; NCGC00179358-03; NCGC00179358-05; AC-13213; SBI-0051637.P002; AB00514707; C07654; D04972; AB00053593-03; AB00053593_04; AB00053593_05; Q2365033; (4S,4aR,5S,5aR,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6805	.	.	.	442.4	C22H22N2O8	182	998	0.3	32	6	9	2	"1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,14-15,17,25-27,30,32H,1H2,2-3H3,(H2,23,31)/t10-,14-,15+,17+,22+/m1/s1"	CN(C)[C@H]1[C@@H]2[C@H]([C@@H]3C(=C)C4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O	XIYOPDCBBDCGOE-IWVLMIASSA-N
DG01102	Miokamycin	5282188	"Midecamycin acetate; Miocamycin; Miokamycin; Acecamycin; Ponsinomycin; 3'',9-Diacetylmydecamycin; 55881-07-7; UNII-3T48CPS7U2; 3T48CPS7U2; [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-acetyloxy-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4-acetyloxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate; 9,3''-Diacetylmidecamycin; C45H71NO17; EINECS 259-879-6; Midecamycin acetate [JAN]; Macroral; Miocamen; Mosil; 9,3''-Di-O-Acetylmidecamycin; Miocamycin (TN); Leucomycin V, 3B,9-diacetate 3,4B-dipropanoate; midecamycin diacetate; Midecamycin acetate (JP17); SCHEMBL139293; CHEMBL1091024; DTXSID60905087; Leucomycin V, 3(sup B),9-diacetate 3,4(sup B)-dipropanoate; ZINC169677000; 1532-RB; LeucomycinV,3B,9-diacetate3,4B-dipropanoate; V1793; D01636; Q3858659; W-105540; Midecamycin acetate, Antibiotic for Culture Media Use Only"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	DR1096	898	C45H71NO17	218	1590	3.8	63	1	18	18	"1S/C45H71NO17/c1-13-34(50)59-33-23-36(52)55-26(4)18-16-15-17-19-32(58-29(7)48)25(3)22-31(20-21-47)41(42(33)54-12)62-44-39(53)38(46(10)11)40(27(5)57-44)61-37-24-45(9,63-30(8)49)43(28(6)56-37)60-35(51)14-2/h15-17,19,21,25-28,31-33,37-44,53H,13-14,18,20,22-24H2,1-12H3/b16-15+,19-17+/t25-,26-,27-,28+,31+,32+,33-,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1"	CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC)(C)OC(=O)C)N(C)C)O)CC=O)C)OC(=O)C)C	GQNZGCARKRHPOH-RQIKCTSVSA-N
DG01104	Teprenone	5282199	"Teprenone; Geranylgeranylacetone; Tetraprenylacetone; Selbex; 6809-52-5; 3796-63-2; Teprenona; Teprenonum; Teprenonum [INN-Latin]; Teprenona [INN-Spanish]; UNII-S8S8451A4O; UNII-57B67OXM8F; (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one; 57B67OXM8F; 6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one; E-0671; Geranylgeranyl acetone; (5E,9E,13E)-6,10,14,18-Tetramethyl-5,9,13,17-nonadecatetren-2-one; (5E,9E,13E)-Teprenone; Teprenone [INN:JAN]; CHEBI:31649; Selbelle; 5,9,13,17-NONADECATETRAEN-2-ONE, 6,10,14,18-TETRAMETHYL-; 6,10,14,18-Tetramethyl-5,9,13,17-nonadecatetraen-2-one, mixture of (5E,9E,13E) and (5Z,9E,13E) isomers; CHEMBL79686; SCHEMBL157509; SCHEMBL157511; Ea-0671; BCP11723; HY-B0779; ZINC1915509; 4096AH; s5006; 5,9,13,17-Nonadecatetraen-2-one, 6,10,14,18-tetramethyl-, (E,E,E)-; AKOS015894922; CCG-267813; CS-3560; E-671; 809T525; SR-01000944917; Q-201789; Q7701388; SR-01000944917-1; UNII-S8S8451A4O component HUCXKZBETONXFO-NJFMWZAGSA-N; (9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31649	.	.	.	330.5	C23H38O	17.1	482	7.4	24	0	1	12	"1S/C23H38O/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h11,13,15,17H,7-10,12,14,16,18H2,1-6H3/b20-13+,21-15+,22-17+"	CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CCC(=O)C)/C)/C)/C)C	HUCXKZBETONXFO-NJFMWZAGSA-N
DG01105	Rokitamycin	5282211	"Rokitamycin; Ricamycin; 74014-51-0; TMS 19Q; Propionylleucomycin; UNII-ZPT03UEM0E; ZPT03UEM0E; TMS-19Q; [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-2,4-dimethyl-4-propanoyloxyoxan-3-yl] butanoate; Rokitamicina; Rokitamycine; Rokitamycinum; ((4R,5S,6S,7R,9R,10R,11E,13E,16R)-7-(Formylmethyl)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-6-yl)-3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranoside 4''-butyrate 3''-propionate; Rokitamycine [French]; Rokitamycinum [Latin]; Rokitamicina [Spanish]; Rokitamycin [INN:JAN]; Ricamycin (TN); 3''-O-propionylleucomycin A5; CCRIS 5267; BRN 5220127; Rokicid; Rokital; Leucomycin V, 4B-butanoate 3B-propanoate; Rokitamycin (JAN/INN); 3''-propionylleucomycin a5; SCHEMBL136367; CHEMBL1908350; DTXSID6023521; Leucomycin V, 4(sup B)-butanoate 3(Sup B)-propanoate; CHEBI:32103; TMS-19-Q DS 200; ZINC169676935; DB13409; ((4R,5S,6S,7R,9R,10R,11E,13E,16R)-7-(Formylmethyl)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-6-yl)-3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranoside 4'-butyrate 3'-propionate; D01897; R-6900; Rokitamycin, Antibiotic for Culture Media Use Only; Q3940221"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32103	.	.	DR1435	828	C42H69NO15	206	1380	3	58	3	16	15	"1S/C42H69NO15/c1-11-16-32(48)55-40-27(6)53-34(23-42(40,7)58-31(47)12-2)56-37-26(5)54-41(36(50)35(37)43(8)9)57-38-28(19-20-44)21-24(3)29(45)18-15-13-14-17-25(4)52-33(49)22-30(46)39(38)51-10/h13-15,18,20,24-30,34-41,45-46,50H,11-12,16-17,19,21-23H2,1-10H3/b14-13+,18-15+/t24-,25-,26-,27+,28+,29+,30-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1"	CCCC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)OC(=O)CC)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2N(C)C)O)O[C@H]3[C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]3OC)O)C)O)C)CC=O)C)C	VYWWNRMSAPEJLS-MDWYKHENSA-N
DG01107	Tranilast	5282230	"Tranilast; 53902-12-8; Rizaben; trans-Tranilast; 70806-55-2; Tranilastum; MK 341; Tranilast trans-; N-(3,4-Dimethoxycinnamoyl)anthranilic acid; MK-341; UNII-HVF50SMY6E; SB-252218; (E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)benzoic acid; Tranilast (SB 252218); 3,4-DAA; HVF50SMY6E; 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid; MLS000028468; CHEBI:77572; 2-((3-(3,4-Dimethoxyphenyl)-1-oxo-2-propenyl)amino)benzoic acid; MFCD00864787; NSC-758970; NCGC00018185-05; SMR000058373; 2-[[3-(3,4-Dimethoxyphenyl)-1-oxo-2-propenyl]amino]benzoic Acid; 2-{[(2e)-3-(3,4-Dimethoxyphenyl)prop-2-Enoyl]amino}benzoic Acid; (E)-2-[[3-(3,4-Dimethoxyphenyl)-1-oxo-2-propenyl]amino]benzoic acid; Tranilastum [INN-Latin]; 2-(3-(3,4-dimethoxyphenyl)acrylamido)benzoic acid; Tranilast [USAN:INN:JAN]; 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]benzoic acid; Tranpro; 2-({(2E)-3-[3,4-bis(methyloxy)phenyl]prop-2-enoyl}amino)benzoic acid; Rizaben (TN); SR-01000003092; n-(3',4'-dimethoxycinnamoyl) anthranilic acid; BENZOIC ACID, 2-((3-(3,4-DIMETHOXYPHENYL)-1-OXO-2-PROPENYL)AMINO)-; Anthranilic acid, N-(3,4-dimethoxycinnamoyl)-; Tranilast- Bio-X; NU-3450; SB 252218; Opera_ID_1657; DSSTox_CID_3693; T 0318; DSSTox_RID_77152; DSSTox_GSID_23693; Lopac0_001193; SCHEMBL29875; BSPBio_003561; ZINC797; 53902-17-3; MLS000759509; MLS001065902; MLS001077269; MLS001424045; MLS002207030; MLS006010043; SPECTRUM1505333; CHEMBL415324; GTPL6326; Tranilast (JP17/USAN/INN); Benzoic acid, 2-[[3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]amino]-; DTXSID7023693; BDBM21613; CHEBI:92320; AOB5086; HMS2051F05; HMS2089L07; HMS2094I21; HMS2230F18; HMS3263P07; HMS3412G17; HMS3648A16; HMS3676G17; HMS3713J04; Pharmakon1600-01505333; (2-Phenylthiazol-5-yl)methylamine; AMY14167; BCP06359; BCP15888; HY-B0195; Tox21_110836; Tox21_501193; 2-[[3-(3,4-Dimethoxyphenyl)-1-oxo-2-propenyl]amino] benzoic acid; AC-940; CCG-39992; HSCI1_000076; NSC758970; s5871; AKOS002841076; Tranilast, >=98% (HPLC), powder; DB07615; KS-1193; LP01193; NC00171; NSC 758970; SDCCGSBI-0051160.P004; NCGC00018185-04; NCGC00018185-06; NCGC00018185-08; NCGC00018185-09; NCGC00018185-10; NCGC00018185-20; NCGC00018185-23; NCGC00018185-26; NCGC00021458-04; NCGC00021458-05; NCGC00021458-07; NCGC00261878-01; BD164491; I586; SB252218; SBI-0051160.P003; CAS-53902-12-8; EU-0101193; S1439; SW197551-3; N-(3 ,4 -dimethoxycinnamoyl)anthranilic acid; D02027; AB00382987-18; AB00382987-19; AB00382987_21; 902T173; A829819; A923780; 2-(3,4-Dimethoxy-trans-cinnamoylamino)benzoic acid; Q-201849; Q2325594; SR-01000003092-2; SR-01000003092-4; SR-01000003092-9; BRD-K17849083-001-02-2; BRD-K17849083-001-03-0; BRD-K19533706-001-01-9; Q27164069; SR-01000003092-16; 2-[3-(3,4-Dimethoxyphenyl)-acryloylamino]-benzoic acid; 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]benzoic acid; 2-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid; 2-[[3-(3,4-Dimethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoic Acid; D27"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:77572	DB07615	.	DR1628	327.3	C18H17NO5	84.9	464	3.2	24	2	5	6	"1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+"	COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OC	NZHGWWWHIYHZNX-CSKARUKUSA-N
DG01110	Neocarzinostatin	5282473	ZINOSTATIN; Neocarzinostatin (JAN); Zinostatin (USAN/INN); SCHEMBL1347615; D02046	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	661.6	C35H35NO12	175	1460	2.3	48	4	13	8	"1S/C35H35NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h8-9,12-14,17,21,24-26,28-31,33,36-39H,6,15H2,1-4H3/t17-,21 ,24-,25-,26-,28-,29+,30-,31-,33-,35+/m1/s1"	C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](C=C3C2CC#C[C@@H]4[C@@](O4)(C#C3)[C@H]5COC(=O)O5)OC(=O)C6=C(C=CC7=C6C=C(C=C7C)OC)O)NC)O)O	BLXZMHNVKCEIJX-PNKAXBHOSA-N
DG01112	Tacalcitol	5283734	"Tacalcitol; 57333-96-7; Bonalfa; Curatoderm; Tacalcitolum; UNII-C2W72OJ5ZU; TV-02; PRI 2191; 1-alpha,24(R)-Dihydroxyvitamin D3; TV-02H; TV 02; PRI-2191; (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol; C2W72OJ5ZU; 1alpha,24(R)-Dihydroxyvitamin D3; 1,24-Dihydroxyvitamin D3; (24R)-1alpha,24-dihydroxyvitamin D3 / (24R)-1alpha,24-dihydroxycholecalciferol; (5Z,7E)-(1S,3R,24R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol; Bonalfa (TN); Tacalcitolum [INN-Latin]; 1,24(R)-Dihydroxyvitamin D3; CHEBI:32176; Tacalcitol [INN:BAN:JAN]; Vellutan; Apsor; CCRIS 4211; Tacalcitol (INN); tv02; 1alpha,24(OH)2D3; SCHEMBL3945; TV-02HS; 1a,24-Dihydroxycholecalciferol; GTPL2780; CHEMBL2105611; Tacalcitol, >=99% (HPLC); DTXSID90905111; 1.alpha.,24-dihydroxyvitamin d3; EX-A4429; ZINC4474668; 4077AH; BDBM50441892; LMST03020256; AKOS024458008; CS-0391; DB13689; (1-alpha,3-beta,5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol; AS-77643; HY-32337; (1alpha,24R)-1,24-dihydroxyvitamin D3; D08554; 333T967; Q155682; 1,24(R)-Dihydroxyvitamin D3;1.alpha.,24R-Dihydroxyvitamin D3; (1S,3R,5Z,7E,24R)-9,10-secocholesta-5,7,10-triene-1,3,24-triol; (+)-(5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,24-triol; (1 ,3 ,5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol; 9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol, (1-alpha,3-beta,5Z,7E,24R)-; (1R,3S,Z)-5-((E)-2-((1R,3aS,7aR)-1-((2R,5R)-5-hydroxy-6-methylheptan-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32176	.	.	.	416.6	C27H44O3	60.7	676	5.3	30	3	3	6	"1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25-,26+,27-/m1/s1"	C[C@H](CC[C@H](C(C)C)O)[C@H]1CC[C@@H]\\2[C@@]1(CCC/C2=C\\C=C/3\\C[C@H](C[C@@H](C3=C)O)O)C	BJYLYJCXYAMOFT-RSFVBTMBSA-N
DG01114	Codeine	5284371	"Codeine; Methylmorphine; Codeine anhydrous; Codicept; l-Codeine; Coducept; 76-57-3; Morphine monomethyl ether; Morphine 3-methyl ether; (-)-Codeine; codeinum; O3-Methylmorphine; CODEINE BASE; Morphine-3-methyl ether; Codein; Norcodine, N-methyl; Norcodeine, N-methyl; Codeine polistirex; codeina; CCRIS 7555; HSDB 3043; UNII-UX6OWY2V7J; Codeine (CRM); O(3)-methylmorphine; CHEBI:16714; UX6OWY2V7J; Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-; 7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol; Codeine Anhydrate; 7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan-6alpha-ol; (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol; Morphine-3-methyl ester; CHEMBL369475; DEA No. 9050; (5alpha,6alpha)-17-methyl-3-(methyloxy)-7,8-didehydro-4,5-epoxymorphinan-6-ol; (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol; Codeine [INN:BAN]; EINECS 200-969-1; Codeine Alkaloid; Codeine USP; (Codeine); 10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol(Codeine); 10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol[codeine]; Codeinum monohydricum; DSSTox_CID_341; Morphinan-6alpha-ol, 7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methyl-; CHEMBL485; Epitope ID:120369; Codeine polistirex [USAN]; SCHEMBL3257; DSSTox_RID_75524; DSSTox_GSID_20341; GTPL1673; Codeine 0.1 mg/ml in Methanol; Codeine 1.0 mg/ml in Methanol; DTXSID2020341; (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol; IDS-NC-005(SECT.-2); ZINC3806721; Tox21_200082; BDBM50019351; BDBM50105098; AKOS015955539; Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-; DB00318; CAS-76-57-3; NCGC00248518-01; NCGC00257636-01; AC-11114; C06174; Q174723; Codeine, European Pharmacopoeia (EP) Reference Standard; 3-methoxy-17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-6alpha-ol; Codeine solution, 1 mg/mL in methanol, ampule of 1 mL, certified reference material; Codeine solution, analytical standard, for drug analysis, 1.0 mg/mL in methanol; Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5-alpha,6-alpha)- (9CI); Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)- (9CI); Morphinan-6alpha-ol, 7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methyl- (8CI); (1S,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0(1,13).0(5,17).0(7,18)]octadeca-7(18),8,10,15-tetraen-14-ol; (1S,5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraen-14-ol; (1S,5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18),15-tetraen-14-ol; (codeine)10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol; 10-methoxy-4-methyl-(13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-ol(Dihydrocodeine); 10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol; 10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol phosphate(codeine); 10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol(codeine (H3PO4)); 10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol(codeine phosphate)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16714	DB00318	DR00055	DR0366	299.4	C18H21NO3	41.9	509	1.1	22	1	4	1	"1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1"	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O	OROGSEYTTFOCAN-DNJOTXNNSA-N
DG01117	Dorzolamide	5284549	"Dorzolamide; 120279-96-1; 4S,6S-Dorzolamide; (4S,6S)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide; UNII-9JDX055TW1; Trusopt (TN); (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE; 9JDX055TW1; CHEBI:4702; (4S,6S)-4-Ethylamino-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide; (4S,trans)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide; C10H16N2O4S3.HCl; 4-Ethylamino-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide; 4-ethylamino-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7lambda6-thieno[2,3-b]thiopyran-2-sulfonic acid amide; Dorzolamide (DZA); Dorzolamide (INN); MK-507; Dorzolamide [INN:BAN]; SR-05000001449; 1cil; 4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4S,6S)-; 4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4S,6S)-; (4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide; Prestwick0_001116; Prestwick1_001116; Prestwick2_001116; Prestwick3_001116; Dorzolamide, trans-(-)-; UNII 9JDX055TW1; SCHEMBL24061; BSPBio_001252; MLS006011430; BIDD:GT0306; SPBio_003116; BPBio1_001377; CHEMBL218490; GTPL6810; DTXSID7022960; BDBM10884; Dorzolamide, >=98% (HPLC); HMS2089O06; HY-B0109; ZINC1530621; STK645522; AKOS005576255; CS-1859; DB00869; NCGC00179244-04; 4H-Thieno[2,3-b]thiopyran-2-sulfonamide,4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4S,6S)-; AS-14731; M363; N913; SMR004703245; AB00514687; C06969; D07871; AB00514687-06; AB00514687-07; AB00514687_08; A804484; Q415401; J-520426; Q-201042; SR-05000001449-1; BRD-K48617017-003-03-1; 4-ethylamino-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[5,4-b]thiopyran-2-sulfonamide; 5,6-Dihydro-4H-4-ethyl amino-6-methyl thieno (2,3-B) thiopyran-2-Sulphonamide-7,7-dioxide; (2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H-1$l^{6},7-thieno[2,3-b][1$l^{6}]thiopyran-6-sulfonamide; (2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H-1$l^{6},7-thieno[2,3-b]thiopyran-6-sulfonamide; (4S,6S)-4-(ethylamino)-5,6-dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide; 139066-77-6; 4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4S-trans)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4702	DB00869	.	.	324.4	C10H16N2O4S3	151	534	0.4	19	2	7	3	"1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1"	CCN[C@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C	IAVUPMFITXYVAF-XPUUQOCRSA-N
DG01126	Desmopressin	5311065	"DESMOPRESSIN; 16679-58-6; DDAVP; Desmopresina; Desmopressine; Desmopressinum; 1-Deamino-8-D-arginine vasopressin; 1-Desamino-8-D-arginine vasopressin; UNII-ENR1LLB0FP; ENR1LLB0FP; CHEMBL1429; CHEBI:4450; 1-(3-mercaptopropionic acid)-8-D-arginine-vasopressin; 1-{[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-arginylglycinamide; Desmopressin [INN:BAN]; Deamino Arginine Vasopressin; Desmopresina [INN-Spanish]; Desmopressine [INN-French]; Desmopressinum [INN-Latin]; C46H64N14O12S2; EINECS 240-726-7; Desamino-8-D-arginine vasopressin, l-; Deamino-8-D-arginine, l-, vasopressin; SCHEMBL14027607; H01BA02; Vasopressin, 1-(3-mercaptopropanoic acid)-8-D-arginine-; EX-A4284; (Deamino-Cys1,D-Arg8)-Vasopressin; 3576AH; BDBM50205308; STL581697; AKOS015994650; DB00035; HS-2010; iaminomethylidene)-D-ornithylglycinamide; 679D586; (S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-N-((R)-1-(2-amino-2-oxoethylamino)-5-guanidino-1-oxopentan-2-yl)pyrrolidine-2-carboxamide; 1-{[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-N~5~-(d; 113-81-5"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4450	.	.	.	1069.2	C46H64N14O12S2	489	2040	-4	74	13	15	19	"1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29+,30+,31+,32+,33+,34+/m1/s1"	C1C[C@H](N(C1)C(=O)[C@@H]2CSSCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N	NFLWUMRGJYTJIN-PNIOQBSNSA-N
DG01137	Oxiconazole	5353853	"Oxiconazole; 64211-45-6; Oxiconazol; Oxiconazolum; Oxizole; UNII-C668Q9I33J; CHEBI:7825; Oxiconazol [INN-Spanish]; Oxiconazolum [INN-Latin]; C668Q9I33J; 2',4'-Dichloro-2-imidazol-1-ylacetophenone (Z)-(O-(2,4-dichlorobenzyl)oxime); Oxiconazole [INN:BAN]; (Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine; 2',4'-Dichloro-2-imidazol-1-ylacetophenone (Z)-[O-(2,4-dichlorobenzyl)oxime]; C18H13Cl4N3O; Oxiconazole (INN); 1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone O-(2,4-dichlorobenzyl) oxime; 2',4'-Dichlor-O-(2,4-dichlorbenzyl)-2-(1-imidazolyl)-(Z)-acetophenonoxim; CHEMBL1262; SCHEMBL34519; BSPBio_003582; BIDD:GT0685; SCHEMBL4540297; DTXSID8040690; CHEBI:94548; HMS2090F15; AMY32552; ZINC3873296; BDBM50051844; AKOS015906762; DB00239; NCGC00177980-01; NCGC00177980-07; AC-12722; Ethanone, 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-, O-((2,4-dichlorophenyl)methyl)oxime, (Z)-; SBI-0206749.P001; C08074; D08313; AB01275511-01; AB01275511_02; 211O456; BRD-K56104152-008-02-5; BRD-K56104152-008-03-3; (1Z)-N-[(2,4-dichlorobenzyl)oxy]-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanimine; (E)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-one O-(2,4-dichlorobenzyl) oxime; 1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone O-(2,4-dichlorobenzyl)oxime"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7825	DB00239	.	DR1215	429.1	C18H13Cl4N3O	39.4	481	6.1	26	0	3	6	"1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+"	C1=CC(=C(C=C1Cl)Cl)CO/N=C(\\CN2C=CN=C2)/C3=C(C=C(C=C3)Cl)Cl	QRJJEGAJXVEBNE-HKOYGPOVSA-N
DG01140	Levallorphan	5359371	"Levallorphan; Naloxiphan; Lorfan; 152-02-3; 17-Allylmorphinan-3-ol; UNII-353613BU4U; N-Allyl-3-hydroxymorphinan; L-N-Allyl-3-hydroxymorphinan; (-)-3-Hydroxy-N-allylmorphinan; CHEBI:6431; Levo-3-hydroxy-N-allyl morphinan; CHEMBL1254682; Levallofano [DCIT]; Morphinan-3-ol, 17-allyl-; Ro-1-7700; 353613BU4U; Levallofano; Levallorphane; Levallorphanum; Levalorfano; Morphinan, 17-allyl-3-hydroxy-; Levalorfano [INN-Spanish]; Levallorphane [INN-French]; Levallorphanum [INN-Latin]; DSSTox_CID_3205; DSSTox_RID_76925; DSSTox_GSID_23205; Levallorphan [INN:BAN]; CAS-152-02-3; HSDB 2148; EINECS 205-799-1; NCGC00162247-02; 17-prop-2-en-1-ylmorphinan-3-ol; Morphinan-3-ol, 17-allyl-, (-)-; SCHEMBL34060; (-)-17-allylmorphinan-3-ol; GTPL7209; (a^ -17-allylmorphinan-3-ol; DTXSID9023205; (levallorphan)17-allyl-(1R,9R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol; 17-allyl-(1R,9R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol( Levallorphan); 17-allyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol (Levallorphan); ZINC3875992; Tox21_112005; BDBM50326673; Tox21_112005_1; DB00504; NCGC00162247-06; C07069; Q6534827; (1R,9R,10R)-17-(prop-2-en-1-yl)-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-trien-4-ol; (1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6431	DB00504	.	.	283.4	C19H25NO	23.5	408	3.5	21	1	2	2	"1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1"	C=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O	OZYUPQUCAUTOBP-QXAKKESOSA-N
DG01146	Strontium-89	5388880	"Strontium-89; UNII-K59O1PY9WF; K59O1PY9WF; 14158-27-1; Strontium Sr-89; Strontium, isotope of mass 89; Sr 89; Q2404445"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	88.907	Sr	0	0	.	1	0	0	0	1S/Sr/i1+1	[89Sr]	CIOAGBVUUVVLOB-OUBTZVSYSA-N
DG01149	Calcium	5460341	"7440-70-2; Ca; Calcium; Elemental calcium; Calcium, elemental; UNII-SY7Q814VUP; Calcium hydride (CaH); SY7Q814VUP; MFCD00010897; MFCD00085314; Calcium compounds; HSDB 273; EINECS 231-179-5; UN1401; Kalzium; calcium atom; Calcium ingot; Calcium Chelate; Calcium shot; Calcium granules; Calcium turnings; Bio Lacta Cal; calcium(0); Calcium turnings, 2N; Calcium, Natural Milk; Calcium, granular, 99%; 20Ca; EC 231-179-5; Calcium granules, -9 mesh; Calcium Krebs 21% 40M; Calcium Milk Calcium 28%; Calcium Sweet Chelate 20%; Calcium Oratate 11% 40M; Ca(0); Calcium hydride, coarse powder; Calcium MS Plus 18% 40M; CHEMBL2146121; DTXSID9050484; CHEBI:22984; CHEBI:29320; HSDB 6931; Calcium, pieces, <1 cm, 99%; Calcium crystalline dendritic pieces; 8183AF; Calcium, crystalline, dendritic, 4N; Calcium shot, 1cm (0.4in) & down; DB01373; Calcium granules, redistilled, -6 mesh; Calcium, SAJ first grade, >=99.5%; Calcium granules, redistilled, -16 mesh; BP-31015; Calcium [UN1401] [Dangerous when wet]; Calcium hydride, 99.9% trace metals basis; Calcium, turnings, 99% trace metals basis; Calcium Bio Calcium MS (Maxium Solubility) 40M; Calcium Bio Calcium MS Plus(Maxium Solubility) 40M; Calcium hydride, powder, 99.99% trace metals basis; Calcium hydride, reagent grade, 95% (gas-volumetric); C000001000; Calcium hydride, chunks, +4 mesh, reagent grade, 95%; Calcium, AAS standard solution, Specpure , Ca 1000 g/ml; Calcium, Oil based standard solution, Specpure, Ca 1000g/g; Calcium, Oil based standard solution, Specpure , Ca 5000 g/g; Calcium, plasma standard solution, Specpure , Ca 10,000 g/ml; Calcium, plasma standard solution, Specpure , Ca 1000 g/ml; Calcium hydride, purum p.a., >=97.0% (gas-volumetric), powder; Calcium hydride, powder, 0-2 mm, reagent grade, >=90% (gas-volumetric); Calcium, dendritic pieces, purified by distillation, 99.5% trace metals basis; Calcium, dendritic pieces, purified by distillation, 99.9% trace metals basis; Calcium, dendritic pieces, purified by distillation, 99.99% trace metals basis"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:22984	DB01373	.	.	40.08	Ca	0	0	.	1	0	0	0	1S/Ca	[Ca]	OYPRJOBELJOOCE-UHFFFAOYSA-N
DG01152	Arglabin	5574924	"Arglabin; (+)-arglabin; 84692-91-1; UNII-YS8UOP7QZ1; YS8UOP7QZ1; CHEBI:73228; 3H-Oxireno(8,8a)azuleno(4,5-b)furan-8(4aH)-one, 5,6,6a,7,9a,9b-hexahydro-1,4a-dimethyl-7-methylene-; Arglabin=DMA; (+)-Arglabin(+)-Arglabin; SCHEMBL60010; CHEMBL2206431; BCP09930; ZINC2114142; BDBM50433455; AKOS030485961; MCULE-7361304189; HY-16059; Q24522351; 1beta,10beta-epoxyguaia-3,11(13)-dien-12,6alpha-olide; (1R,3S,6S,10S,11R)-3,12-dimethyl-7-methylidene-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-8-one; (1R,3S,6S,10S,11S)-3,12-Dimethyl-7-methylidene-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-8-one; (3aR,4aS,6aS,9aS,9bR)-1,4a-dimethyl-7-methylene-5,6,6a,7,9a,9b-hexahydro-3H-oxireno[8,8a]azuleno[4,5-b]furan-8(4aH)-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:73228	.	.	.	246.3	C15H18O3	38.8	506	1.7	18	0	3	0	"1S/C15H18O3/c1-8-4-7-15-11(8)12-10(9(2)13(16)17-12)5-6-14(15,3)18-15/h4,10-12H,2,5-7H2,1,3H3/t10-,11+,12-,14-,15+/m0/s1"	CC1=CC[C@@]23[C@H]1[C@@H]4[C@@H](CC[C@@]2(O3)C)C(=C)C(=O)O4	UVJYAKBJSGRTHA-CUZKYEQNSA-N
DG01153	Guanabenz	5702063	"Guanabenz; Wy 8678 base; Guanabenzum; Wytensin; Wy 8678; Wy-8678; NSC-68982; N-(2,6-Dichlorobenzylidene)-N'-amidinohydrazine; 5051-62-7; ((2,6-Dichlorobenzylidene)amino)guanidine; GBZ; UNII-GGD30112WC; Hydrazinecarboximidamide, 2-((2,6-dichlorophenyl)methylene)-; CHEBI:5553; MLS000736759; 2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine; [(2,6-Dichlorobenzylidene)amino]guanidine; GGD30112WC; NSC 68982; Guanabenz [USAN:INN]; Guanabenzum [INN-Latin]; Guanabenzo [INN-Spanish]; Guanabenzo; SMR000528313; Hydrazinecarboximidamide, 2-[(2,6-dichlorophenyl)methylene]-; N-((2,6-Dichlorobenzylidene)amino)guanidine; Guanabenz (USAN/INN); EINECS 225-750-8; NSC68982; 2-((2,6-Dichlorophenyl)methylene)-hydrazinecarboximidamide; NCGC00024846-03; 1-(2,6-Dichlorobenzylideneamino)guanidine; Prestwick2_000096; Prestwick3_000096; Guanidine, ((2,6-dichlorobenzylidene)amino)-; CHEMBL420; (E)-2-(2,6-dichlorobenzylidene)hydrazinecarboximidamide; Lopac0_000601; SCHEMBL15389; BSPBio_000052; BPBio1_000058; GTPL5443; BDBM81979; BDBM96725; CHEBI:92998; cid_5702063; HMS2089G13; NSC_3517; BDBM50225293; CAS_65636; NSC_65636; s4481; ZINC12503139; CCG-204690; SDCCGSBI-0050583.P002; Guanidine,6-dichlorobenzylidene)amino]-; NCGC00024846-02; NCGC00024846-04; NCGC00024846-05; NCGC00024846-06; NCGC00024846-09; NCGC00024846-16; LS-13410; CAS_5051-62-7; CS-0368548; 1-(2,6-dichlorobenzyl-ideneamino)-*guanidine; C07034; D04375; 2-[(E)-(2,6-dichlorobenzylidene)amino]guanidine; L000834; 2-(2,6-Dichlorobenzylidene)hydrazinecarboximidamide; Hydrazinecarboximidamide,6-dichlorophenyl)methylene]-; 2-[(E)-(2,6-dichlorophenyl)methyleneamino]guanidine; 2-{[(2,6-dichlorophenyl)methylidene]amino}guanidine; BRD-K62736196-015-13-6; BRD-K67847053-015-08-8; Guanidine, ((2,6-dichlorobenzylidene)amino)- (8CI); 2-(2,6-Dichlorobenzylidene)hydrazine-1-carboximidamide; (2E)-2-(2,6-Dichlorobenzylidene)hydrazinecarboximidamide; (E)-2-(2,6-Dichlorobenzylidene)hydrazine-1-carboximidamide; 2-[(E)-[2,6-bis(chloranyl)phenyl]methylideneamino]guanidine; 60329-03-5"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5553	DB00629	DR01410	DR0794	231.08	C8H8Cl2N4	76.8	228	1.7	14	2	2	2	"1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+"	C1=CC(=C(C(=C1)Cl)/C=N/N=C(N)N)Cl	WDZVGELJXXEGPV-YIXHJXPBSA-N
DG01154	Cefoselis	5748845	"Cefoselis; UNII-0B50MLU3H1; Wincef; 122841-10-5; 0B50MLU3H1; (6R,7R)-3-[[3-amino-2-(2-hydroxyethyl)pyrazol-1-ium-1-yl]methyl]-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; C19H22N8O6S2; SCHEMBL74633; SCHEMBL74635; CHEMBL2105940; DTXSID3048285; BDBM50485614; Q768; (-)-5-Amino-2-(((6R,7R)-7-(2-(2-amino-4-thiazolyl)glyoxylamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-(2-hydroxyethyl)pyrazolium hydroxide, inner salt, 7(sup 2)-(Z)-(O-methyloxime); (-)-5-Amino-2-(((6R,7R)-7-(2-(2-amino-4-thiazolyl)glyoxylamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-(2-hydroxyethyl)pyrazolium hydroxide, inner salt, 7,2-(Z)-(o-methyloxime)."	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	522.6	C19H22N8O6S2	259	930	-0.9	35	4	12	8	"1S/C19H22N8O6S2/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28/h2-3,8,13,17,20,28H,4-7H2,1H3,(H4,21,22,23,29,31,32)/b24-12-/t13-,17-/m1/s1"	CO/N=C(/C1=CSC(=N1)N)\\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=C(N4CCO)N)C(=O)[O-]	BHXLLRXDAYEMPP-SBGRAJFYSA-N
DG01157	Remikiren	6324659	"Remikiren; Ro 42-5892; UNII-LC7FBL96A4; Remikiren [INN]; 126222-34-2; Ro-42-5892; LC7FBL96A4; CHEMBL31601; Remikiren (INN); 135669-48-6; (2S)-2-benzyl-3-tert-butylsulfonyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]propanamide; Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide; remikirene; remikireno; remikirenum; CCRIS 6519; SCHEMBL156393; CHEBI:8803; SCHEMBL19792404; 3d91; ZINC4217406; BDBM50077669; DB00212; C07465; D09038; Q417432; (alphaS)-alpha-((alphaS)-alpha-((tert-Butylsulfonyl)methyl)hydrocinnamamido)-N-((1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl)imidazole-4-propionamide; (S)-2-Benzyl-N-[(S)-1-((1S,2R,3S)-1-cyclohexylmethyl-3-cyclopropyl-2,3-dihydroxy-propylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-3-(2-methyl-propane-2-sulfonyl)-propionamide; (S)-alpha-[(S)-alpha-[(tert-butylsulphonyl)methyl]hydrocinnamamido]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-imidazole-4-propionamide; (S)-alpha-[(S)-alpha-[(tert-butylsulphonyl)methyl]hydrocinnamamido]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]imidazole-4-propionamide; 1H-Imidazole-4-propanamide, N-(1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl)-alpha-((2-(((1,1-dimethylethyl)sulfonyl)methyl)-1-oxo-3-phenylpropyl)amino)-, (1S-(1R*(R*(R*)),2S*,3R*))-; 2-Benzyl-N-[1-(1-cyclohexylmethyl-3-cyclopropyl-2,3-dihydroxy-propylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-3-(2-methyl-propane-2-sulfonyl)-propionamide(remikiren); N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-Nalpha-{(2S)-2-[(2-methylpropane-2-sulfonyl)methyl]-3-phenylpropanoyl}-L-histidinamide; Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-L-histidinamide; REM"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8803	DB00212	.	.	630.8	C33H50N4O6S	170	1030	4	44	5	7	16	"1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29+,30-/m1/s1"	CC(C)(C)S(=O)(=O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC3CCCCC3)[C@H]([C@H](C4CC4)O)O	UXIGZRQVLGFTOU-VQXQMPIVSA-N
DG01160	Palonosetron	6337614	"Palonosetron; 135729-61-2; Aloxi; (-)-Palonosetron; Palonosetron [INN]; UNII-5D06587D6R; Aloxi (TN); (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one; CHEBI:85161; Palonosetron (INN); 2-(1-Azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz(de)isoquinolin-1-one; 2-Qhbiqo; 5D06587D6R; (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one; (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one; NSC-743769; Palonosetronum; 149653-99-6; Palonosetron; Aloxi; SCHEMBL3746; (S-(R*,R*))-2-(1-Azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz(de)isoquinolin-1-one; Palonosetron, (3as, 3s)-; GTPL7486; CHEMBL1189679; DTXSID5048342; SCHEMBL13391549; (S)-2-((S)-quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one; HMS3886A22; BCP07225; HY-A0018; ZINC3795819; BDBM50417287; MFCD07783848; s5740; AKOS015967749; AKOS025311243; CS-0385; DB00377; NSC 743769; NCGC00271490-05; AS-35217; P-226; D07175; AB00698542-05; AB00698542_07; 653P996; Q-100993; Z2216208607; (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one.; (5S)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),9(13),10-trien-2-one; 1021481-16-2; 1H-Benz(de)isoquinolin-1-one, 2-(1-azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-, (S-(R*,R*))-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85161	DB00377	DR00394	.	296.4	C19H24N2O	23.6	456	2.8	22	0	2	1	"1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1"	C1C[C@@H]2CN(C(=O)C3=CC=CC(=C23)C1)[C@@H]4CN5CCC4CC5	CPZBLNMUGSZIPR-NVXWUHKLSA-N
DG01161	Cefonicid	43594	"CEFONICID; 61270-58-4; Cefonicido; Cefonicidum; Cefonicidum [INN-Latin]; Cefonicido [INN-Spanish]; UNII-6532B86WFG; CHEBI:3491; 6532B86WFG; (6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-8-oxo-3-[[1-(sulfomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-8-oxo-3-({[1-(sulfomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; Cefonicid [INN:BAN]; Monocef; Cefonicid (INN); Monocef (TN); BRN 1066181; CHEMBL1601; SCHEMBL60350; BIDD:GT0667; DTXSID7022758; ZINC3830428; DB01328; C06882; D07644; 270C584; A833135; Q5057286; BRD-K34058848-304-03-1; (6R,7R)-7-((R)-2-hydroxy-2-phenylacetamido)-8-oxo-3-((1-(sulfomethyl)-1H-tetrazol-5-ylthio)methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[(2R)-2-hydroxy-2-phenylacetamido]-8-oxo-3-({[1-(sulfomethyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2R)-2-hydroxy-1-oxo-2-phenylethyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-5-tetrazolyl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-8-oxo-3-({[1-(sulfomethyl)-1H-tetrazol-5-yl]thio}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-8-oxidanylidene-7-[[(2R)-2-oxidanyl-2-phenyl-ethanoyl]amino]-3-[[1-(sulfomethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((hydroxyphenylacetyl)amino)-8-oxo-3-(((1-sulfomethyl)-1H-tetrazol-5-yl)thio)methyl)-, (6R-(6-alpha,7-beta(R*)))-; 6beta-[(2R)-2-hydroxy-2-phenylacetamido]-3-({[1-(sulfomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)ceph-3-em-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3491	DB01328	.	.	542.6	C18H18N6O8S3	264	999	-1.9	35	4	13	9	"1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1"	C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)O)C(=O)O)CSC4=NN=NN4CS(=O)(=O)O	DYAIAHUQIPBDIP-AXAPSJFSSA-N
DG01162	Cefatrizine	6410758	"CEFATRIZINE; 51627-14-6; Cefatrizinum; BL-S640; Antibiotic BL-S 640; BLS 640; BL-S 640; SKF 60771; UNII-8P4W949T8K; Cephatriazine; 8P4W949T8K; (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; NCGC00185755-01; Cepticol; S 640P; Cefatrizino; Orosporina; Cefatrix; Cetrazil; Latocef; Trizina; Bricef; CEFATRIZINE PROPYLENE GLYCOL; Cefatrizinum [INN-Latin]; Cefatrizino [INN-Spanish]; cefatrizina; Cefatrizine [USAN:INN:BAN]; t-amyl; Cefathiamidine,(S); EINECS 257-324-2; S-640P; Cefatrizine (USAN); DSSTox_CID_2752; DSSTox_RID_76716; DSSTox_GSID_22752; SCHEMBL49503; CHEMBL1095284; DTXSID7022752; J01DB07; CHEBI:131730; ZINC3830404; Tox21_113376; DB13266; (6R,7R)-7-((R)-2-Amino-2-(p-hydroxyphenyl)acetamido)-8-oxo-3-((v-triazol-4-ylthio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino(4-hydroxyphenyl)acetyl)amino)-8-oxo-3-((1H-1,2,3-triazol-4-ylthio)methyl)-, (6R-(6alpha,7beta(R*)))-; CAS-51627-14-6; D02406; 627C146; A828691; Q3009981; (6R,7R)-3-(((1H-1,2,3-Triazol-5-yl)thio)methyl)-7-((R)-2-amino-2-(4-hydroxyphenyl)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-(acetoxymethyl)-7-(2-((E)-N,N'-diisopropylcarbamimidoylthio)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-8-oxo-3-[(2H-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2R)-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-8-oxidanylidene-3-(2H-1,2,3-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-8-oxo-3-[(1H-1,2,3-triazol-4-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (7R)-7-(alpha-D-4-hydroxyphenylglycylamino)-3-(1H-1,2,3-triazol-4-ylthiomethyl)-3-cephem-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:131730	.	.	.	462.5	C18H18N6O5S2	225	775	-2.3	31	5	10	7	"1S/C18H18N6O5S2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23)/t12-,13-,17-/m1/s1"	C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)CSC4=NNN=C4	UOCJDOLVGGIYIQ-PBFPGSCMSA-N
DG01168	Dirithromycin	6473883	"Dirithromycin; 62013-04-1; Dirithromycine; Dirithromycinum; Diritromicina; Dynabac; LY 237216; LY-237216; UNII-1801D76STL; MLS000028564; (9S)-9-Deoxo-11-deoxy-9,11-(imino((1R)-2-(2-methoxyethoxy)ethylidene)oxy)erythromycin; SMR000058954; MLS001074061; CHEBI:474014; 1801D76STL; MFCD00865041; C42H78N2O14; LY237216; (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-3-ethyl-2,10-dihydroxy-15-[(2-methoxyethoxy)methyl]-2,6,8,10,12,17-hexamethyl-5-oxo-9-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-4,16-dioxa-14-azabicyclo[11.3.1]heptadec-7-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside; (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-9-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3-ethyl-2,10-dihydroxy-7-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-15-((2-methoxyethoxy)methyl)-2,6,8,10,12,17-hexamethyl-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-5-one; Dirithromycine [French]; Dirithromycinum [Latin]; Diritromicina [Spanish]; Divitross; Noriclan; Valodin; CCRIS 9506; NSC-758672; NCGC00178154-03; DI0; Dynabac (TN); Dirithromycin [USAN:USP:INN:BAN]; Spectrum_001476; SpecPlus_000868; Opera_ID_1686; Prestwick3_000557; Spectrum2_001655; Spectrum3_001630; Spectrum4_000597; Spectrum5_000715; Dirithromycin (USP/INN); BSPBio_000633; BSPBio_003299; KBioGR_001094; KBioSS_001956; DivK1c_006964; SPECTRUM1504144; SPBio_001809; BPBio1_000697; CHEMBL1237072; CHEMBL3039471; BDBM59397; cid_6473883; KBio1_001908; KBio2_001956; KBio2_004524; KBio2_007092; KBio3_002519; ASE 136; ASE-136; HMS1922D13; HMS2093A06; HMS2096P15; HMS2233M04; HMS3713P15; AS-E 136; CCG-39072; ZINC96095661; AKOS025310151; DB00954; NSC 758672; Erythromycin, 9-deoxo-11-deoxy-9,11-(imino(2-(2-methoxyethoxy)ethylidene)oxy)-, (9S(R))-; NCGC00178154-01; NCGC00178154-02; SBI-0052687.P002; AB00513862; D03865; J10400; T72716; AB00053192_13; 013D041; A833532; SR-01000721832; SR-05000001888; Q1989071; SR-01000721832-3; SR-05000001888-1; (9S)-9-deoxo-11-deoxy-9,11-[imino[2-(2-methoxyethoxy)ethylidene]erythromycin; (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-3-ethyl-2,10-dihydroxy-15-[(2-methoxyethoxy)methyl]-2,6,8,10,12,17-hexamethyl-5-oxo-9-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-7-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside; (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2,10-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,6,8,10,12,17-hexamethyl-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-5-one; (1S,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-9-[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2,10-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,6,8,10,12,17-hexamethyl-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-5-one; (1S,2R,4R,5R,6S,7S,8R,11R,12R,13R,15R,17S)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-11-ethyl-4,12-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-10,14-dioxa-16-azabicyclo[11.3.1]heptadecan-9-one; (1S,2R,4R,5R,6S,7S,8R,11R,12R,13R,15R,17S)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-11-ethyl-7-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-4,12-bis(oxidanyl; (1S,2R,4R,5R,6S,7S,8R,11R,12R,13R,15R,17S)-5-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-11-ethyl-4,12-dihydroxy-7-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-10; [9S(R)]-9-Deoxo-11-deoxy-9,11-[imino[2-(2-methoxy)ethylidene]oxy]erthromycin; LY-237216"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:474014	DB00954	DR01366	DR0516	835.1	C42H78N2O14	196	1300	4.2	58	5	16	12	"1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1"	CC[C@@H]1[C@@]([C@H]2[C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)N[C@H](O2)COCCOC)C)(C)O	WLOHNSSYAXHWNR-DWIOZXRMSA-N
DG01171	Carumonam	6540466	"Carumonam; 87638-04-8; Carumonamum; UNII-486890PI06; CHEBI:55486; 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-(carbamoyloxymethyl)-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxyacetic acid; 486890PI06; CRMN; ({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-({(2S,3S)-2-[(carbamoyloxy)methyl]-4-oxo-1-sulfoazetidin-3-yl}amino)-2-oxoethylidene]amino}oxy)acetic acid; Carumonamum [Latin]; Carumonam [INN:BAN]; CCRIS 1924; Carumonam (INN); SCHEMBL49606; CHEMBL1614658; DTXSID3048312; ZINC13831159; AKOS015961995; DB13553; (((2-((2-(((Aminocarbonyl)oxy)methyl)-4-oxo-1-sulfo-3-azetidinyl)amino)-1-(2-amino-4-thiazolyl)-2-oxoethylidene)amino)oxy)acetic acid (2S-(2alpha,3alpha(Z)))-; AC-15442; D07625; A834910; J-505187; Q5047478; 2-((((Z)-1-(2-Aminothiazol-4-yl)-2-(((2S,3S)-2-((carbamoyloxy)methyl)-4-oxo-1-sulfoazetidin-3-yl)amino)-2-oxoethylidene)amino)oxy)acetic acid; 2-(((E)-(1-(2-Aminothiazol-4-yl)-2-(((2s,3s)-2-((carbamoyloxy)methyl)-4-oxo-1-sulfoazetidin-3-yl)amino)-2-oxoethylidene)amino)oxy)ac etic acid; 2-[(Z)-[1-(2-amino-4-thiazolyl)-2-[[(2S,3S)-2-(carbamoyloxymethyl)-4-oxo-1-sulfo-3-azetidinyl]amino]-2-oxoethylidene]amino]oxyacetic acid; 2-[(Z)-[2-[[(2S,3S)-2-(aminocarbonyloxymethyl)-4-oxidanylidene-1-sulfo-azetidin-3-yl]amino]-1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-ethylidene]amino]oxyethanoic acid; 2-{[(Z)-[(2-amino-1,3-thiazol-4-yl)({[(2S,3S)-2-[(carbamoyloxy)methyl]-4-oxo-1-sulfoazetidin-3-yl]carbamoyl})methylidene]amino]oxy}acetic acid; Acetic acid, (((2-((2-(((aminocarbonyl)oxy)methyl)-4-oxo-1-sulfo-3-azetidinyl)amino)-1-(2-amino-4-thiazolyl)-2-oxoethylidene)amino)oxy)-, (2S-(2alpha,3alpha(Z)))-; Acetic acid, (((Z)-(2-(((2S,3S)-2-(((aminocarbonyl)oxy)methyl)-4-oxo-1-sulfo-3-azetidinyl)amino)-1-(2-amino-4-thiazolyl)-2-oxoethylidene)amino)oxy)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:55486	.	.	.	466.4	C12H14N6O10S2	291	858	-1.4	30	5	14	10	"1S/C12H14N6O10S2/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26)/b17-7-/t5-,8+/m1/s1"	C1=C(N=C(S1)N)/C(=N/OCC(=O)O)/C(=O)N[C@H]2[C@H](N(C2=O)S(=O)(=O)O)COC(=O)N	UIMOJFJSJSIGLV-JNHMLNOCSA-N
DG01173	Dantrolene	6914273	"Dantrolene; 7261-97-4; Dantrolenum [INN-Latin]; Dantroleno [INN-Spanish]; Dantroleno; UNII-F64QU97QCR; F-368; Dantrolenum; Ryanodex; 1-((5-(p-Nitrophenyl)furfurylidene)amino)hydantoin; C14H10N4O5; F64QU97QCR; Hydantoin, 1-((5-(p-nitrophenyl)furfurylidene)amino)-; 1-(((5-(4-Nitrophenyl)-2-furanyl)methylene)amino)-2,4-imidazolidinedione; 2,4-Imidazolidinedione, 1-(((5-(4-nitrophenyl)-2-furanyl)methylene)amino)-; 1-(((5-(4-Nitrophenyl)furan-2-yl)methylene)amino)imidazolidine-2,4-dione; 833480-90-3; 1-[[5-(p-Nitrophenyl)furfurylidene]amino]hydantoin; 1-[[[5-(4-Nitrophenyl)-2-furanyl]methylene]amino]-2,4-imidazolidinedione; 2,4-Imidazolidinedione, 1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-; HSDB 3050; Dantrolene (USAN/INN); EINECS 230-684-8; BRN 0705189; Dantrolene [USAN:INN:BAN]; Prestwick2_000291; Prestwick3_000291; Spectrum5_001752; NCGC00163132-01; 1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione; Lopac0_000424; SCHEMBL40893; BSPBio_000222; BSPBio_001305; BSPBio_003074; BIDD:GT0187; BPBio1_000246; CHEMBL1201288; SCHEMBL12417164; BAS-3050F; BCBcMAP01_000067; AMY8921; BAS-305; DTXSID70873546; (E)-1-(((5-(4-nitrophenyl)furan-2-yl)methylene)amino)imidazolidine-2,4-dione; HMS1361B07; HMS1791B07; HMS1989B07; HMS3402B07; 85008-71-5; ZINC7997966; BDBM50198767; DB01219; SHA-458100; 1-({(1E)-[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)imidazolidine-2,4-dione; IDI1_000898; IDI1_033775; NCGC00163402-01; NCGC00163402-02; NCGC00163402-03; NCGC00188950-01; BS-48947; HY-12542; R452; CS-0011998; A13928; C06939; D02347; SR-01000076241-8; BRD-K81272440-001-02-6; BRD-K81272440-236-05-1; 1-[5-(4-nitro-phenyl)-furan-2-ylmethyleneamino]-imidazolidine-2,4-dione; 1-(((E)-[5-(4-Nitrophenyl)-2-furyl]methylidene)amino)-2,4-imidazolidinedione #; [4-(5-{(E)-[(2,4-Dioxoimidazolidin-1-yl)imino]methyl}furan-2-yl)phenyl](hydroxy)oxoammonium"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01219	.	.	314.25	C14H10N4O5	121	524	1.7	23	1	6	3	"1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+"	C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]	OZOMQRBLCMDCEG-VIZOYTHASA-N
DG01176	Ciclesonide	6918155	"Ciclesonide; Omnaris; Alvesco; 126544-47-6; Zetonna; RPR251526; UNII-S59502J185; RPR-251526; 141845-82-1; S59502J185; [2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-cyclohexyl-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 2-methylpropanoate; Osonase; Osonide; Omnair; RPR 251526; Alvesco HFA; Omnaris HFA; Alvesco (TN); Omnaris (TN); [2-[(1S,2S,4R,8S,9S,11S,12S,13R)-6-Cyclohexyl-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 2-methylpropanoate; Ciclesonide [USAN:INN]; BTR-15K; Ciclesonide (JAN/USAN/INN); BTR-15; TBN-15; (R)-11beta,16alpha,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with cyclohexanecarboxaldehyde, 21-isobutyrate; NCGC00167484-01; (11 ,16 )-16,17-[[(R)-Cyclohexylmethylene]bis(oxy)]-11-hydroxy-21-(2-methyl-1-oxopropoxy)-pregna-1,4-diene-3,20-dione; Alvesco 80; Zetonna (TN); Alvesco, Ciclesonide; BYK-20426; Alvesco 160; BY-9010; KS-1165; AC1MIWNR; SCHEMBL3688; DSSTox_CID_26659; DSSTox_RID_81802; DSSTox_GSID_46659; B-9207-015; GTPL7469; el-87-6; CHEMBL2040682; DTXSID9046659; CHEBI:31397; Ciclesonide, >=98% (HPLC); HMS3714N07; EX-A4195; HY-B0625; ZINC3915154; Tox21_112486; BDBM50247997; s4646; AKOS015994702; AC-1330; BI54903; CCG-269962; DB01410; NCGC00167972-01; O945; Pregna-1,4-diene-3,20-dione, 16,17-(((R)-cyclohexylmethylene)bis(oxy))-11-hydroxy-21-(2-methyl-1-oxopropoxy)-, (11beta,16alpha)-; Pregna-1,4-diene-3,20-dione, 16,17-((cyclohexylmethylene)bis(oxy))-11-hydroxy-21-(2-methyl-1-oxopropoxy)-, (11beta,16alpha(R))-; Ciclesonide 100 microg/mL in Acetonitrile; CAS-141845-82-1; C72110; D01703; 544C476; A899067; SR-01000942227; Q5119448; SR-01000942227-1; Ciclesonide, European Pharmacopoeia (EP) Reference Standard; (11 ,16 )-16,17-[[(R)-Cyclohexylmethylene]bis(oxy)]-11-hydroxy-21-(2-methyl-1-oxopropoxy)pregna-1,4-diene-3,20-dione; 2-((6aR,6bS,7S,8aS,8bS,10R,11aR,12aS,12bS)-10-cyclohexyl-7-hydroxy-6a,8a-dimethyl-4-oxo-1,2,4,6a,6b,7,8,8a,11a,12,12a,12b-dodecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-8b-yl)-2-oxoethyl isobutyrate; 2H-Naphth (2',1':4,5) indeno (1,2-d) (1,3) dioxole, pregna-1,4-diene-3,20-dione deriv."	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31397	DB01410	DR01408	DR0319	540.7	C32H44O7	99.1	1100	5.3	39	1	7	6	"1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29+,30-,31-,32+/m0/s1"	CC(C)C(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)O[C@H](O2)C6CCCCC6	LUKZNWIVRBCLON-GXOBDPJESA-N
DG01180	Prasugrel	6918456	"Prasugrel; 150322-43-3; Effient; Efient; CS-747; Prasugrel (Effient); 5-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate; LY640315; LY-640315; CS 747; Pcr 4099; CHEBI:87723; 5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate; [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate; 5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-2-yl acetate; Ethanone, 2-[2-(acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-cyclopropyl-2-(2-fluorophenyl)-; Prasita; SMR002533665; Prasugrel [INN:BAN]; NCGC00188690-01; NCGC00188690-02; HSDB 7995; NSC-759625; Prasugrel- Bio-X; Prasugrel-[d5]; Ethanone, 2-(2-(acetyloxy)-6,7-dihydrothieno(3,2-c)pyridin-5(4H)-yl)-1-cyclopropyl-2-(2-fluorophenyl)-; 2-[2-(Acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone; MLS003882595; MLS006012001; SCHEMBL245032; GTPL7562; CHEMBL1201772; Prasugrel, >=98% (HPLC); SCHEMBL14112007; DTXSID70861544; HMS3604B09; HMS3654D09; HMS3884I07; ACT06208; BCP01882; FD7194; MFCD09954140; s1258; STL232602; ZB0747; AKOS015841187; AC-1640; CCG-268338; CS-0657; DB06209; KS-5301; MCULE-1302242257; NSC 759625; PB23765; SB20805; NCGC00188690-03; [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate; 2-acetoxy-5-(alpha-cyclopropylcarbonyl-2-fluorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine; BP164290; HY-15284; AM20090728; FT-0650150; P2040; SW219175-1; W0064; AB01274761-01; AB01274761_02; 322P433; A809033; AR-270/43507998; Q416232; Q-101872; [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[4,5-c]pyridin-2-yl] acetate; 2-Acetoxy-5-(alpha-cyclopropylcarbonyl-2-fluorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c] pyridine; 2-Acetoxy-5-(alpha-cyclopropylcarbonyl-2-fluorobenzyl)4,5,6,7-tetrahydrothieno[3,2-c]pyridine; 2-acetyloxy-5-(alpha-cyclopropylcarbonyl-2-fluorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine; 2-acetyloxy-5-(alpha-cycloproylcarbonyl-2-fluorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-C]pyridine; Acetic acid 5-[2-cyclopropyl-1-(2-fluoro-phenyl)-2-oxo-ethyl]-4,5,6,7-tetrahydro-thieno[3,2-c]pyridin-2-yl ester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:87723	DB06209	.	.	373.4	C20H20FNO3S	74.8	555	3.6	26	0	6	6	"1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3"	CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4	DTGLZDAWLRGWQN-UHFFFAOYSA-N
DG01181	Voclosporin	6918486	"Voclosporin; 515814-01-4; Luveniq; ISAtx-247; Voclosporin [USAN]; ISA-247; ISATX247; ISA247; Lupkynis; UNII-2PN063X6B1; R 1524; ISA(TX)247; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhepta-4,6-dienyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone; 515814-00-3; R-1524; 2PN063X6B1; LX211; trans-ISA 247; ISA 247; LX-211; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhepta-4,6-dien-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone; trans-ISA-247; Voclosporin (USAN/INN); Voclosporin [USAN:INN]; Voclera; ISATX 247; 3odi; LX-214; ISAtx-247; Luveniq; E-ISA247; SCHEMBL12632344; GTPL11388; CHEBI:135957; (E)-ISA-247; EX-A5922; AT27977; DB11693; HY-106638; CS-0026210; R1524; D09033; Q7939256; Cyclosporin A, 6-((2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6,8-nonadienoic acid)-; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhepta-4,6-dien-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone; 1,11-anhydro[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl- N-methyl-L-valyl-[(2S,3R,4R,6E)-3-hydroxy-4-methyl- 2-(methylamino)nona-6,8-dienoyl][(2S)-2-aminobutanoyl]- N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucine]"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135957	DB11693	.	.	1214.6	C63H111N11O12	279	2380	7.9	86	5	12	16	"1S/C63H111N11O12/c1-25-27-28-29-41(15)53(76)52-57(80)66-44(26-2)59(82)68(18)34-49(75)69(19)45(30-35(3)4)56(79)67-50(39(11)12)62(85)70(20)46(31-36(5)6)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(32-37(7)8)60(83)72(22)48(33-38(9)10)61(84)73(23)51(40(13)14)63(86)74(52)24/h25,27-28,35-48,50-53,76H,1,26,29-34H2,2-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-27+/t41-,42+,43-,44+,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1"	CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C=C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C	BICRTLVBTLFLRD-PTWUADNWSA-N
DG01183	Chlorhexidine	9552079	"Chlorhexidine; 55-56-1; Rotersept; Fimeil; Hexadol; Soretol; Chlorhexidin; Chlorhexidinum; Cloresidina [DCIT]; Chlorhexidin [Czech]; Chlorhexidinum [INN-Latin]; Clorhexidina [INN-Spanish]; Nolvasan; Hibistat; 1,6-Bis(p-chlorophenyldiguanido)hexane; 1,6-Di(4'-chlorophenyldiguanido)hexane; UNII-R4KO0DY52L; 1,6-Bis(5-(p-chlorophenyl)biguandino)hexane; Chlorohexidine; Exidine; Tubulicid; 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide); 1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide); 2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-; Sterilon; CHEMBL790; R4KO0DY52L; MLS001332388; CHEBI:3614; Cloresidina; Clorhexidina; 56-95-1; Biguanide, 1,1'-hexamethylenebis(5-(p-chlorophenyl)-; CAS-55-56-1; NCGC00016246-03; SMR000857146; Sterido; Savlon babycare; N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]; DSSTox_CID_13314; DSSTox_RID_79062; N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide; DSSTox_GSID_33314; Chlorhexidine [INN:BAN]; Chlorhexidine dihydrochloride; Merfen-incolore; MLS001304094; 1-(4-chlorophenyl)-3-[N-[6-[[N-[N-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]amino]hexyl]carbamimidoyl]guanidine; N-(4-chlorophenyl)-1-3-(6-{N-[3-(4-chlorophenyl)carbamimidamidomethanimidoyl]amino}hexyl)carbamimidamidomethanimidamide; CCRIS 9230; Chlorhexidine (INN); C22H30Cl2N10; HSDB 7196; Merfen-incolore (TN); SR-01000799135; Nolvasan (*Diacetate*); 1,1'-Hexamethylenebis(5-[p-chlorophenyl]biguanide); 1,1'-hexamethylenebis[5-(p-chlorophenyl)biguanide]; SMR000718621; EINECS 200-238-7; Lisium (*Dihydrochloride*); BRN 2826432; 1,6-Di(N-p-chlorophenyldiguanido)hexane; Chlorhexadine; Dentisept; Dentisept [veterinary] (TN); 1,6-Bis(N5-[p-chlorophenyl]-N1-biguanido)hexane; Prestwick_53; Chlorhexidine (1); Hibidil (Salt/Mix); Hibisol (Salt/Mix); Chlorhexidine diacetate salt hydrate; Hibitane (Salt/Mix); Hibiscrub (Salt/Mix); Hibispray (Salt/Mix); NSC526936; Spectrum_000237; Savloclens (Salt/Mix); 3697-42-5; Prestwick0_000143; Prestwick1_000143; Prestwick2_000143; Prestwick3_000143; Spectrum2_000135; Spectrum3_000339; Spectrum4_000277; Spectrum5_001322; Hexamethylenebis(5-(4-chlorophenyl)biguanide); EC 200-238-7; SCHEMBL3984; Chlorhexidine, >=99.5%; BSPBio_000246; BSPBio_001977; KBioGR_000774; KBioSS_000717; 4-12-00-01201 (Beilstein Handbook Reference); MLS001332387; MLS002154209; DivK1c_000761; SPBio_000210; SPBio_002185; BPBio1_000272; DTXSID2033314; BDBM51937; BDBM64773; cid_9552079; KBio1_000761; KBio2_000717; KBio2_003285; KBio2_005853; KBio3_001197; 2,4,11,13-Tetraazatetradecanediimidamide, N1,N14-bis(4-chlorophenyl)-3,12-diimino-; cid_12303047; NINDS_000761; REGID_for_CID_9552079; BDBM152706; HMS1568M08; HMS2095M08; HMS2233B16; HMS3712M08; (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine; HY-B1248; Tox21_110325; Tox21_201404; Tox21_303445; BDBM50170723; s5397; STK089248; AKOS005394319; Tox21_110325_1; CCG-220143; CS-4958; DB00878; MCULE-4644073142; 2,4,11,13-Tetraazatetradecanediimidamide, N,N'-bis(4-chlorophenyl)-3,12-diimino-; IDI1_000761; N,N''''-hexane-1,6-diylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)]; N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradeca- nediimidamide; QTL1_000020; NCGC00016246-01; NCGC00016246-02; NCGC00016246-04; NCGC00016246-05; NCGC00016246-06; NCGC00016246-07; NCGC00016246-09; NCGC00016246-13; NCGC00016246-21; NCGC00091025-01; NCGC00091025-02; NCGC00091025-04; NCGC00247766-01; NCGC00257242-01; NCGC00258955-01; (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylene]amino]methylene]amino]hexyl]-1-[amino-(4-chloroanilino)methylene]guanidine; AS-12648; Chlorhexidine, purum, >=99.0% (HPLC); SBI-0051301.P003; AB00053427; C06902; D07668; AB00053427-24; AB00053427-28; AB00053427_29; 009C673; A830704; Q-200828; SR-01000799135-5; 1,1''-Hexamethylene bis(5-(p-chlorophenyl)biguanide); BRD-K52256627-300-03-3; BRD-K52256627-300-05-8; SR-01000799135-10; SR-01000799135-11; Chlorhexidine, European Pharmacopoeia (EP) Reference Standard; 1,1'-(Hexane-1,6-diyl)bis[5-(4-chlorophenyl)biguanide] diacetate; Chlorhexidine, United States Pharmacopeia (USP) Reference Standard; Chlorhexidine, Pharmaceutical Secondary Standard; Certified Reference Material; N'',N''''''''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]; N,N''-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide; (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylene]amino]methylene]amino]hexyl]-1-[amino-(4-chloroanilino)methylene]guanidine;hydrochloride; (1E)-2-[6-[[azanyl-[(E)-[azanyl-[(4-chlorophenyl)amino]methylidene]amino]methylidene]amino]hexyl]-1-[azanyl-[(4-chlorophenyl)amino]methylidene]guanidine; (1E)-2-[6-[[azanyl-[(E)-[azanyl-[(4-chlorophenyl)amino]methylidene]amino]methylidene]amino]hexyl]-1-[azanyl-[(4-chlorophenyl)amino]methylidene]guanidine;hydrochloride; 2-[amino-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexylimino]methyl]-1-(4-chlorophenyl)guanidine; 2-[amino-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexylimino]methyl]-1-(4-chlorophenyl)guanidine;hydrochloride"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3614	DB00878	DR00848	DR2666	505.4	C22H30Cl2N10	178	649	0.1	34	6	2	13	"1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)"	C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\\N)N)N)/N)Cl	GHXZTYHSJHQHIJ-UHFFFAOYSA-N
DG01186	Cefmenoxime	9570757	"Cefmenoxime; Cefmenoximum; Cefmenoxima; 65085-01-0; Cefmenoxime [INN]; Cefmenoximum [INN-Latin]; Cefmenoxima [INN-Spanish]; UNII-KBZ4844CXN; Cefmenoxime (INN); KBZ4844CXN; SCE-1365; (6R,7R)-7-((Z)-2-(2-Amino-4-thiazolyl)-2-methoxyiminoacetamido)-3-((1-methyl-1H-5-tetraazolylthio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure; CHEBI:55490; (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; SCE 1365; CMX; A 50912; AB 50912; (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (IUPAC); (6R,7R)-(2-(2-Amino-4-thiazolyl)glyoxylamido)-3-(1-methyl-1H-tetrazol-5-yl)thiomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure-7-(Z)-(O-methyloxim); 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6alpha,7beta(Z)))-; SCHEMBL152861; CHEMBL1201224; DTXSID2022755; (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; ZINC3871927; AKOS030573275; DB00267; NCGC00373220-03; (6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(methyloxy)imino]acetyl}amino)-3-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid; D07641; 085C010; A834966; (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:55490	DB00267	.	.	511.6	C16H17N9O5S3	270	890	0	33	3	14	8	"1S/C16H17N9O5S3/c1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7/h5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b21-8-/t9-,13-/m1/s1"	CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\\OC)/C4=CSC(=N4)N)SC2)C(=O)O	HJJDBAOLQAWBMH-YCRCPZNHSA-N
DG01189	Lobeglitazone	9826451	"Lobeglitazone; 607723-33-1; 5-(4-(2-((6-(4-Methoxyphenoxy)pyrimidin-4-yl)(methyl)amino)ethoxy)benzyl)thiazolidine-2,4-dione; Lobeglitazone [INN]; CKD501; SCHEMBL2742697; CHEMBL3585580; CHEBI:136052; DB09198; SB16869; 5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione; DB-090849; Q18350076"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:136052	DB09198	.	.	480.5	C24H24N4O5S	128	670	4.3	34	1	9	10	"1S/C24H24N4O5S/c1-28(21-14-22(26-15-25-21)33-19-9-7-17(31-2)8-10-19)11-12-32-18-5-3-16(4-6-18)13-20-23(29)27-24(30)34-20/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30)"	CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC(=NC=N3)OC4=CC=C(C=C4)OC	CHHXEZSCHQVSRE-UHFFFAOYSA-N
DG01193	Treosulfan	9882105	"Treosulfan; 299-75-2; Treosulphan; Ovastat; NSC 39069; Dihydroxybusulfan; UNII-CO61ER3EPI; NSC-39069; (2S,3S)-Threitol 1,4-bismethanesulfonate; CO61ER3EPI; CHEBI:82557; l-Threitol-1,4-bis(methanesulfonate); CB 40067; (2S,3S)-2,3-dihydroxybutane-1,4-diyl dimethanesulfonate; threosulphan; Treosulfano; Treosulfanum; Treosulfanum [INN-Latin]; Treosulfano [INN-Spanish]; CCRIS 2781; HSDB 6963; DHB; EINECS 206-081-0; L-Threitol, 1,4-bis(methanesulfonate); 1,2,3,4-Butanetetrol, 1,4-dimethanesulfonate, (S-(R*,R*))-; Threitol, 1,4-dimethanesulfonate, L-(+)-; Treosulfan (INN); Ovastat (TN); L-Threitol, 1,4-bismethanesulfonate; TreosulphanNSC 39069; Treosulfan [USAN:INN:BAN]; CHEMBL455186; SCHEMBL5399430; (S-(R*,R*))-1,2,3,4-Butanetetrol, 1,4-dimethanesulfonate; WHO 3103; ZINC1671094; l-threitol-1,4-bis-methanesulfonate; s6958; L-threitol 1,4-bis(methanesulfonate); CS-3889; DB11678; HY-16503; PS-12126; C19557; D07253; A912763; Threitol, 1,4-dimethanesulfonate, (2S,3S)- (8CI); (S)-3-BOC-AMINO-1-DIAZO-3-(4-BENZYLOXY)PHENYL-2-BUTANONE; [(2S,3S)-2,3-dihydroxy-4-methylsulfonyloxybutyl] methanesulfonate; 1,2,3,4-Butanetetrol, 1,4-dimethanesulfonate, (S-(R*,R*))- (9CI)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:82557	DB11678	.	.	278.3	C6H14O8S2	144	345	-2.2	16	2	8	7	"1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1"	CS(=O)(=O)OC[C@@H]([C@H](COS(=O)(=O)C)O)O	YCPOZVAOBBQLRI-WDSKDSINSA-N
DG01195	Selexipag	9913767	"Selexipag; 475086-01-2; NS-304; Uptravi; ACT-293987; NS 304; UNII-5EXC0E384L; ACT 293987; 5EXC0E384L; 2-(4-((5,6-diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)-N-(methylsulfonyl)acetamide; 2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butoxy]-N-methylsulfonylacetamide; NS-304;ACT-293987; 2-{4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}-N-(methanesulfonyl)acetamide; 2-(4-((5,6-Diphenylpyrazin-2-yl)(propan-2-yl)amino)butoxy}-n-(methanesulfonyl)acetamide; 2-[4-[(5,6-Diphenyl-2-pyrazinyl)(1-methylethyl)amino]butoxy]-N-(methylsulfonyl)acetamide; Selexipag [USAN:INN]; Uptravi (TN); ACT293987; NS-304(Selexipag); Selexipag(NS-304); Selexipag (JAN/USAN/INN); SCHEMBL674122; CHEMBL238804; GTPL7552; CHEBI:90844; AMY10851; BCP09146; ZINC3990451; 3938AH; BDBM50235383; MFCD10567093; s3726; AKOS024457572; CCG-269668; CS-3774; DB11362; SB17055; 2-{4-[N-(5,6-diphenylpyrazin-2-yl)-N-isopropylamino]butyloxy}-N-(methylsulfonyl)acetamide; NCGC00370833-01; NCGC00370833-02; AC-30209; BS-16872; HY-14870; DB-119997; B7378; FT-0776043; D09994; A857156; Q15424759; 2-(4-((5,6-diphenyl-2-pyrazinyl)(isopropyl)amino)butoxy)-n-(methylsulfonyl)acetamide; 2-(4-((5,6-Diphenylpyrazinyl)(1-methylethyl)amino)butoxy)-N-(methylsulfonyl)-acetamide; 2-[4-[[5,6-di(phenyl)pyrazin-2-yl]-propan-2-ylamino]butoxy]-N-methylsulfonylacetamide; 2-{4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}-N-methanesulfonylacetamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:90844	DB11362	.	DR1471	496.6	C26H32N4O4S	110	730	3.8	35	1	7	12	"1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)"	CC(C)N(CCCCOCC(=O)NS(=O)(=O)C)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3	QXWZQTURMXZVHJ-UHFFFAOYSA-N
DG01201	Pimavanserin	10071196	Pimavanserin; 706779-91-1; ACP-103; 1-(4-Fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methylpiperidin-4-yl)urea; Pimavanserin free base; UNII-JZ963P0DIK; JZ963P0DIK; 706779-91-1 (free base); 1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea; N-(4-Fluorophenylmethyl)-N-(1-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl) carbamide; N-(4-Fluorophenylmethyl)-N-(1-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl)carbamide; Pimavanserin [INN]; 706782-28-7; Pimanavserin; methyltrimethylacetate; AC-5273; Pimavanserin(ACP-103); SCHEMBL675165; Nuplazid (proposed trade name); GTPL8423; CHEMBL2111101; C25H34FN3O2; DTXSID90990906; CHEBI:133017; BDBM139370; HMS3742A03; BCP11618; EX-A4895; MFCD09953792; ZINC16159083; AKOS015902593; CS-3378; DB05316; ME-0240; SB16963; NCGC00390656-01; NCGC00390656-02; HY-14557; B8019; FT-0653701; Y0393; A14434; 779P911; A836958; J-503297; Q7194603; N-[(4-Fluorophenyl)Methyl]-N-(1-Methyl-4-piperidinyl)-N'-[[4-(2-Methylpropoxy)phenyl]Methyl]urea;; N-[(4-Fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-N'-{[4-(2-methylpropoxy)phenyl]methyl}carbamimidic acid; N-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-N'-{[4-(2-methylpropoxy)phenyl]methyl}urea	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:133017	DB05316	.	.	427.6	C25H34FN3O2	44.8	523	4.5	31	1	4	8	"1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)"	CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C	RKEWSXXUOLRFBX-UHFFFAOYSA-N
DG01203	Besifloxacin	10178705	"Besifloxacin; 141388-76-3; UNII-BFE2NBZ7NX; BFE2NBZ7NX; 7-[(3R)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid; (R)-7-(3-aminohexahydro-1H-azepin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; 3-Quinolinecarboxylic acid, 7-[(3R)-3-aminohexahydro-1H-azepin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-; Besifloxacin [INN]; SCHEMBL725805; QCR-76; CHEMBL1201760; DTXSID00161706; ISV-403; CHEBI:135622; ZINC3787097; s5941; AKOS005145882; AC-8867; DB06771; NCGC00386381-02; NCGC00386381-04; Z6122; A23458; AB01565807_02; 388B763; Q3638978; (R)-7-(3-aminoazepan-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; (R)-7-(3-Aminohexahydro-1H-azepin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolin; 3-Quinolinecarboxylic acid, 7-(3-aminohexahydro-1H-azepin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, (R)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135622	DB06771	.	.	393.8	C19H21ClFN3O3	86.9	656	1.1	27	2	7	3	"1S/C19H21ClFN3O3/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23/h7,9-11H,1-6,8,22H2,(H,26,27)/t10-/m1/s1"	C1CCN(C[C@@H](C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F	QFFGVLORLPOAEC-SNVBAGLBSA-N
DG01212	Tavaborole	11499245	"Tavaborole; 174671-46-6; AN-2690; 5-FLUOROBENZO[C][1,2]OXABOROL-1(3H)-OL; Kerydin; AN2690; AN 2690; 2,1-Benzoxaborole, 5-fluoro-1,3-dihydro-1-hydroxy-; UNII-K124A4EUQ3; 5-fluoro-1-hydroxy-3H-2,1-benzoxaborole; 5-fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol; 5-Fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole; K124A4EUQ3; CHEBI:77942; MFCD10699483; 5-fluoro-2,1-benzoxaborol-1(3H)-ol; C7H6BFO2; 5-Fluoro-3H-benzo[c][1,2)oxaborol-1-ol; 5-fluoro-3H-benzo[c][1,2]oxaborol-1-ol; Tavaborole [USAN:INN]; p-fluorbenzoxaborole; Kerydin (TN); Tavaborole (USAN); SCH-900340; AN-2690(Tavaborole); Tavaborole (AN-2690); SCHEMBL500016; CHEMBL443052; HSDB 8342; DTXSID00169888; BCP08730; EX-A1086; 3338AH; BDBM50370987; s4996; AKOS006303927; ZINC169990691; CCG-266215; CS-1058; DB09041; DS-8392; MB08883; 5-Fluoro-1-hydroxy-2,1-benzoxaborolane; NCGC00264110-01; NCGC00264110-02; AC-30887; HY-10980; SY038332; DB-100333; FT-0697827; X3699; A14999; D10169; F11396; 1,3-dihydro-5-fluoro-1-hydroxy-2,1-benzoxaborole; Q21011226; 5-Fluoro-1-hydroxyl-1,3-dihydrobenzo[c][1,2]oxaborole; Z1739256284"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:77942	DB09041	.	.	151.93	C7H6BFO2	29.5	155	.	11	1	3	0	"1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2"	B1(C2=C(CO1)C=C(C=C2)F)O	LFQDNHWZDQTITF-UHFFFAOYSA-N
DG01213	Olodaterol	11504295	"OLODATEROL; 868049-49-4; Olodaterol Free Base; BI-1744; Striverdi; BI 1744; UNII-VD2YSN1AFD; 6-Hydroxy-8-[(1R)-1-hydroxy-2-[[2-(4-methoxyphenyl)-1,1-dimethylethyl]amino]ethyl]-2H-1,4-benzoxazin-3(4H)-one; VD2YSN1AFD; CHEBI:82700; 868049-49-4 (free base); (R)-6-hydroxy-8-(1-hydroxy-2-((1-(4-methoxyphenyl)-2-methylpropan-2-yl)amino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one; Striverdi respimat (TN); 6-Hydroxy-8-((1R)-1-hydroxy-2-((2-(4-methoxyphenyl)-1,1-dimethylethyl)amino)ethyl)-2H-1,4-benzoxazin-3(4H)-one; Olodaterol [USAN:INN]; BI 1744(Olodaterol;Striverdi Respimat); Olodaterol (USAN/INN); Olodaterol (BI 1744); SCHEMBL560926; CHEMBL605846; GTPL7543; AMY16614; BCP11473; EX-A1729; BI1744; s4485; ZINC34636383; CS-6275; DB09080; NCGC00522533-01; AC-29048; AS-74944; HY-14301; C76830; D10145; 049H494; Q7088466; 2H-1,4-Benzoxazin-3(4H)-one, 6-hydroxy-8-((1R)-1-hydroxy-2-((2-(4-methoxyphenyl)- 1,1-dimethylethyl)amino)ethyl)-; 6-hydroxy-8-(1-hydroxy-2-((2-(4-methoxyphenyl)-1,1-dimethylethyl)amino)ethyl)-2H-1,4-benzoxazin-3(4H)-one; 6-hydroxy-8-[(1R)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl]-2H-1,4-benzoxazin-3(4H)-one; 6-hydroxy-8-[(1R)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:82700	DB09080	.	.	386.4	C21H26N2O5	100	521	1.8	28	4	6	7	"1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m0/s1"	CC(C)(CC1=CC=C(C=C1)OC)NC[C@@H](C2=C3C(=CC(=C2)O)NC(=O)CO3)O	COUYJEVMBVSIHV-SFHVURJKSA-N
DG01216	Finafloxacin	11567473	"Finafloxacin; 209342-40-5; Xtoro; UNII-D26OSN9Q4R; D26OSN9Q4R; CHEBI:85176; Finafloxacin (INN); Finafloxacin [INN]; 8-cyano-1-cyclopropyl-6-fluoro-7-((4aS,7aS)-hexahydropyrrolo[3,4-b][1,4]oxazin-6(2H)-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; AL-60371; 7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid; gastrochinolon; gastroquinolone; 8-cyano-1-cyclopropyl-6-fluoro-7-[(4aS,7aS)-hexahydropyrrolo[3,4-b][1,4]oxazin-6(2H)-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; Xtoro (TN); BAY35-3377; QCR-30; SCHEMBL1002869; CHEMBL1908370; GTPL10809; DTXSID10175096; BCP23882; ZINC3985346; AL60371; CS-5557; DB09047; NCGC00510315-02; (-)-8-Cyano-1-cyclopropyl-6-fluoro-7-((4aS,7aS)-hexahydropyrrolo(3,4-b)-1,4-oxazin-6(2H)-yl)-4-oxo-1; AC-29291; HY-13451; D10575; Q21011229; (-)-8-Cyano-1-cyclopropyl-6-fluoro-7-((4aS,7aS)-hexahydropyrrolo(3,4-b)-1,4-oxazin-6(2H)-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 3-Quinolinecarboxylic acid,8-cyano-1-cyclopropyl-6-fluoro-7-[(4as,7as)-hexahydropyrrolo[3,4-b]-1,4-oxazin-6(2H)-yl]-1,4-dihydro-4-oxo-; 7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid,hydrochloride; 8-cyano-1-cyclopropyl-6-fluoro-7-((1S,6S)-2-oxa-5,8-diazabicyclo[4.3.0]non-8-yl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; 8-Cyano-1-cyclopropyl-6-fluoro-7-[(4aS,7aS)-hexahydropyrrolo[3,4-b][1,4]oxazin-6(2H)-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85176	DB09047	.	.	398.4	C20H19FN4O4	106	806	-0.7	29	2	9	3	"1S/C20H19FN4O4/c21-14-5-11-17(25(10-1-2-10)7-13(19(11)26)20(27)28)12(6-22)18(14)24-8-15-16(9-24)29-4-3-23-15/h5,7,10,15-16,23H,1-4,8-9H2,(H,27,28)/t15-,16-/m0/s1"	C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C#N)N4C[C@H]5[C@H](C4)OCCN5)F)C(=O)O	FYMHQCNFKNMJAV-HOTGVXAUSA-N
DG01223	Cenobamate	11962412	"Cenobamate; 913088-80-9; Xcopri; UNII-P85X70RZWS; YKP-3089; YKP3089; P85X70RZWS; [(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] Carbamate; Cenobamate [INN]; Ontozry; Xcopri (TN); YKP-3089 Cenobamate; Cenobamate (USAN/INN); Cenobamate [USAN:INN]; SCHEMBL1682643; CHEMBL3989949; GTPL10773; YKP3089YKP3089; EX-A3604; 2H-Tetrazole-2-ethanol, alpha-(2-chlorophenyl)-, 2-carbamate, (alphaR)-; Carbamic acid (R)-(+)-1-(2-chlorophenyl)-2-(2H-tetrazol-2-yl)ethyl ester; DB06119; 2H-Tetrazole-2-ethanol, alpha-(2-chlorophenyl)-, carbamate (ester), (alphaR)-; HY-17607; CS-0014686; D11150; Q27286352; (1R)-1-(2-chlorophenyl)-2-(2H-1,2,3,4-tetrazol-2-yl)ethyl carbamate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	DR0288	267.67	C10H10ClN5O2	95.9	293	1.5	18	1	5	5	"1S/C10H10ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9H,5H2,(H2,12,17)/t9-/m0/s1"	C1=CC=C(C(=C1)[C@H](CN2N=CN=N2)OC(=O)N)Cl	GFHAXPJGXSQLPT-VIFPVBQESA-N
DG01224	lifitegrast	11965427	"Lifitegrast; 1025967-78-5; Xiidra; SAR 1118; SAR-1118; SHP606; (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid; UNII-038E5L962W; SHP-606; CHEMBL2048028; 038E5L962W; L-Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-; L-Phenylalanine, N-((2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl)carbonyl)-3-(methylsulfonyl)-; Lifitegrast [USAN:INN]; Xiidra (TN); Lifitegrast (USAN/INN); Lifitegrast; SAR 1118; Lifitegrast ophthalmic solution; GTPL7533; SCHEMBL2632068; AMY4450; DTXSID60145345; SAR1118; CHEBI:133023; EX-A2582; BDBM50386331; MFCD28502439; s3714; ZINC84668739; CCG-270245; CS-6264; DB11611; compound 1g [PMID: 24900456]; (2S)-2-(((2-(Benzofuran-6-ylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolin-6- yl)carbonyl)amino)-3-(3-(methylsulfonyl)phenyl)propanoic acid; AC-32534; DS-20052; HY-19344; D10374; A900838; Q23044263; (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid; N-[[2-(6-Benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-L-phenylalanine; N-[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl]-3-(methanesulfonyl)-L-phenylalanine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:133023	DB11611	DR00072	.	615.5	C29H24Cl2N2O7S	142	1100	4.7	41	2	7	7	"1S/C29H24Cl2N2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1"	CS(=O)(=O)C1=CC=CC(=C1)C[C@@H](C(=O)O)NC(=O)C2=C(C=C3CN(CCC3=C2Cl)C(=O)C4=CC5=C(C=C4)C=CO5)Cl	JFOZKMSJYSPYLN-QHCPKHFHSA-N
DG01232	Sermorelin	16132413	"SERMORELIN; Sermorelina; 86168-78-7; UNII-89243S03TE; 89243S03TE; Sermoreline; Sermorelinum; Sermoreline [French]; Sermorelinum [Latin]; Sermorelina [Spanish]; Sermorelin [INN:BAN]; SCHEMBL34139; DTXSID70903978; EX-A5534; BDBM50004966; 168S787; UNII-00IBG87IQW component WGWPRVFKDLAUQJ-MITYVQBRSA-N; Growth Hormone Releasing Factor Fragment 1-29 amide human, >=97% (HPLC); Somatoliberin (human pancreatic islet), 29-L-argininamide-30-de-L-glutamine-31-de-L-glutamine-32-deglycine-33-de-L-glutamic acid-34-de-L-serine-35-de-L-asparagine-36-de-L-glutamine-37-de-L-glutamic acid-38-de-L-arginine-39-deglycine-40-de-L-alanine-41-de-L-arginine-42-de-L-alanine-43-de-L-argininyl-44-de-L-leucinamide; Tyr-Ala-Asp-Ala-Ile-Phe-Thr-Asn-Ser-Tyr-Arg-Lys-Val-Leu-Gly-Gln-Leu-Ser-Ala-Arg-Lys-Leu-Leu-Gln-Asp-Ile-Met-Ser-Arg(GRF(1-29)-NH2); TYR-ALA-ASP-ALA-ILE-PHE-THR-ASN-SER-TYR-ARG-LYS-VAL-LEU-GLY-GLN-LEU-SER-ALA-ARG-LYS-LEU-LEU-GLN-ASP-ILE-MET-SER-ARG-NH2; Tyr-Ala-Asp-Ala-Ile-Phe-Thr-D-Asn-Ser-Tyr-Arg-Lys-Val-Leu-Gly-Gln-Leu-Ser-Ala-Arg-Lys-Leu-Leu-Gln-Asp-Ile-Met-Ser-Arg(D-Asn8,(1-29)-NH2); Tyr-Ala-D-Asp-Ala-Ile-Phe-Thr-Asn-Ser-Tyr-Arg-Lys-Val-Leu-Gly-Gln-Leu-Ser-Ala-Arg-Lys-Leu-Leu-Gln-Asp-Ile-Met-Ser-Arg(D-Asp3,(1-29)-NH2); Tyr-D-Ala-Asp-Ala-Ile-Phe-Thr-Asn-Ser-Tyr-Arg-Lys-Val-Leu-Gly-Gln-Leu-Ser-Ala-Arg-Lys-Leu-Leu-Gln-Asp-Ile-Met-Ser-Arg(D-Ala2(1-29)-NH2)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	3357.9	C149H246N44O42S	1470	7640	-12.1	236	52	49	118	"1S/C149H246N44O42S/c1-20-77(13)116(191-122(211)81(17)168-132(221)104(66-113(204)205)178-121(210)79(15)167-123(212)88(152)62-84-39-43-86(198)44-40-84)145(234)185-102(63-83-32-23-22-24-33-83)138(227)193-118(82(18)197)146(235)186-103(65-111(155)202)137(226)189-108(71-196)142(231)182-101(64-85-41-45-87(199)46-42-85)136(225)175-93(38-31-56-165-149(161)162)126(215)174-91(35-26-28-53-151)131(220)190-115(76(11)12)143(232)184-97(58-72(3)4)124(213)166-68-112(203)170-94(47-49-109(153)200)128(217)180-100(61-75(9)10)135(224)188-106(69-194)140(229)169-80(16)120(209)172-92(37-30-55-164-148(159)160)125(214)173-90(34-25-27-52-150)127(216)179-99(60-74(7)8)134(223)181-98(59-73(5)6)133(222)176-95(48-50-110(154)201)129(218)183-105(67-114(206)207)139(228)192-117(78(14)21-2)144(233)177-96(51-57-236-19)130(219)187-107(70-195)141(230)171-89(119(156)208)36-29-54-163-147(157)158/h22-24,32-33,39-46,72-82,88-108,115-118,194-199H,20-21,25-31,34-38,47-71,150-152H2,1-19H3,(H2,153,200)(H2,154,201)(H2,155,202)(H2,156,208)(H,166,213)(H,167,212)(H,168,221)(H,169,229)(H,170,203)(H,171,230)(H,172,209)(H,173,214)(H,174,215)(H,175,225)(H,176,222)(H,177,233)(H,178,210)(H,179,216)(H,180,217)(H,181,223)(H,182,231)(H,183,218)(H,184,232)(H,185,234)(H,186,235)(H,187,219)(H,188,224)(H,189,226)(H,190,220)(H,191,211)(H,192,228)(H,193,227)(H,204,205)(H,206,207)(H4,157,158,163)(H4,159,160,164)(H4,161,162,165)/t77-,78-,79-,80-,81-,82+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,115-,116-,117-,118-/m0/s1"	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N	WGWPRVFKDLAUQJ-MITYVQBRSA-N
DG01234	Degarelix	16136245	"Degarelix; 214766-78-6; Degarelix acetate; Firmagon; UNII-SX0XJI3A11; SX0XJI3A11; CHEMBL415606; FE200486 (AS ACETATE SALT); FE200486; Uglypeptide1; Degarelix (INN/USAN); Degarelix [USAN:INN:BAN]; GTPL5585; SCHEMBL1397034; SCHEMBL21050504; HSDB 7817; CHEBI:135961; BDBM50102450; HY-16168A; NSC771648; CS-5350; DB06699; NSC-771648; AS-82636; QC-10170; D08901; 766D786; Q1182795; Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(DHor)]-D-[Aph(Cbm)]-Leu-ILys-Pro-DAla-NH2; Acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ILys-prolyl-alaninamide; D-Alaninamide, N-acetyl-3-(naphtalen-2-yl)-D-alanyl-4-chloro-D-phenylalanyl-3-(pyridin-3-yl)-D-alanyl-L-seryl-4-((((4S)-2,6-dioxohexahydropyrimidin-4-yl)carbonyl)amino)-L-phenylalanyl-4-(carbamoylamino)-D-phenylalanyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl-; N-Acetyl-3-(naphtalen-2-yl)-D-alanyl-4-chloro-D-phenylalanyl-3-(pyridin-3-yl)-D-alanyl-L-seryl-4-((((4S)-2,6-dioxohexahydropyrimidin-4-yl)carbonyl)amino)-L-phenylalanyl-4-(carbamoylamino)-D-phenylalanyl-L-leucyl-N(sup 6)-(1-methylethyl)-L-lysyl-L-prolyl-D-alaninamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135961	DB06699	.	.	1632.3	C82H103ClN18O16	513	3390	3.5	117	17	18	41	"1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1"	C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(C=C2)NC(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)NC(=O)[C@@H]4CC(=O)NC(=O)N4)NC(=O)[C@H](CO)NC(=O)[C@@H](CC5=CN=CC=C5)NC(=O)[C@@H](CC6=CC=C(C=C6)Cl)NC(=O)[C@@H](CC7=CC8=CC=CC=C8C=C7)NC(=O)C	MEUCPCLKGZSHTA-XYAYPHGZSA-N
DG01236	Tesamorelin	16137828	Egrifta; Tesamorelin; UNII-MQG94M5EEO; MQG94M5EEO; 804475-66-9; TH9507; 218949-48-5; TH 9507; TH-9507; Tesamorelin [USAN:INN]; (3E)-hex-3-enoylsomatoliberin; GTPL6959; DTXSID00583207; PUBCHEM_16137828; UNII-LGW5H38VE3 component QBEPNUQJQWDYKU-BMGKTWPMSA-N	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB08869	.	.	5136	C221H366N72O67S	2360	12800	-23.3	361	83	76	187	"1S/C221H366N72O67S/c1-25-28-30-53-163(308)260-145(92-120-54-58-122(299)59-55-120)198(343)255-116(21)179(324)276-150(96-169(316)317)199(344)256-117(22)180(325)291-172(111(16)26-2)214(359)284-147(91-119-43-31-29-32-44-119)206(351)293-174(118(23)298)215(360)285-149(95-162(230)307)205(350)289-155(104-297)210(355)280-146(93-121-56-60-123(300)61-57-121)203(348)267-130(51-41-83-248-220(240)241)186(331)266-126(46-34-36-78-223)197(342)290-171(110(14)15)212(357)283-141(87-106(6)7)183(328)252-100-166(311)258-133(63-70-157(225)302)190(335)278-144(90-109(12)13)202(347)288-152(101-294)208(353)257-115(20)178(323)262-128(49-39-81-246-218(236)237)185(330)265-125(45-33-35-77-222)189(334)277-143(89-108(10)11)201(346)279-142(88-107(8)9)200(345)272-137(66-73-160(228)305)195(340)282-151(97-170(318)319)207(352)292-173(112(17)27-3)213(358)274-139(76-85-361-24)196(341)287-153(102-295)209(354)268-131(52-42-84-249-221(242)243)187(332)270-135(64-71-158(226)303)192(337)269-132(62-69-156(224)301)182(327)251-99-165(310)259-134(67-74-167(312)313)191(336)286-154(103-296)211(356)281-148(94-161(229)306)204(349)273-136(65-72-159(227)304)193(338)271-138(68-75-168(314)315)194(339)264-124(47-37-79-244-216(232)233)181(326)250-98-164(309)253-113(18)176(321)261-127(48-38-80-245-217(234)235)184(329)254-114(19)177(322)263-129(50-40-82-247-219(238)239)188(333)275-140(175(231)320)86-105(4)5/h28-32,43-44,54-61,105-118,124-155,171-174,294-300H,25-27,33-42,45-53,62-104,222-223H2,1-24H3,(H2,224,301)(H2,225,302)(H2,226,303)(H2,227,304)(H2,228,305)(H2,229,306)(H2,230,307)(H2,231,320)(H,250,326)(H,251,327)(H,252,328)(H,253,309)(H,254,329)(H,255,343)(H,256,344)(H,257,353)(H,258,311)(H,259,310)(H,260,308)(H,261,321)(H,262,323)(H,263,322)(H,264,339)(H,265,330)(H,266,331)(H,267,348)(H,268,354)(H,269,337)(H,270,332)(H,271,338)(H,272,345)(H,273,349)(H,274,358)(H,275,333)(H,276,324)(H,277,334)(H,278,335)(H,279,346)(H,280,355)(H,281,356)(H,282,340)(H,283,357)(H,284,359)(H,285,360)(H,286,336)(H,287,341)(H,288,347)(H,289,350)(H,290,342)(H,291,325)(H,292,352)(H,293,351)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(H4,232,233,244)(H4,234,235,245)(H4,236,237,246)(H4,238,239,247)(H4,240,241,248)(H4,242,243,249)/b30-28+/t111-,112-,113-,114-,115-,116-,117-,118+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,171-,172-,173-,174-/m0/s1"	CC/C=C/CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N	QBEPNUQJQWDYKU-BMGKTWPMSA-N
DG01238	Ivacaftor	16220172	"Ivacaftor; 873054-44-5; VX-770; Kalydeco; Ivacaftor (VX-770); N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide; VX 770; VX770; UNII-1Y740ILL1Z; N-[2,4-Bis(tert-butyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-3-quinolinecarboxamide; CHEBI:66901; 1Y740ILL1Z; N-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide; 3-Quinolinecarboxamide, N-(2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl)-1,4-dihydro-4-oxo-; 1413431-05-6; 3-Quinolinecarboxamide, N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-; Kalydeco (TN); Ivacaftor [USAN:INN]; ivacaftorum; Ivacaftor D18; VX7; Ivacaftor (USAN/INN); VX-770 - Ivacaftor; MLS006011119; SCHEMBL351373; GTPL4342; VX-770, Ivacaftor, Kalydeco; CHEMBL2010601; DTXSID00236281; EX-A441; QCR-155; BCPP000199; HMS3654E10; HMS3744K05; AOB31714; BCP19794; BDBM50032693; MFCD17171361; s1144; ZINC52509463; AKOS015994762; AKOS032950001; BCP9000799; CCG-268562; CS-0497; DB08820; EX-7211; LE-0002; SB16815; N-(2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide; NCGC00242480-01; NCGC00242480-03; AC-28324; HY-13017; SMR004702900; FT-0696681; SW219620-1; X7565; EC-000.2478; A25626; D09916; AB01565806_02; Q6095693; CTP-656; CTP-656; CTP-656; d9-ivacaftor;VX-561; Cystic Fibrosis Transmembrane Conductance Regulator Potentiator; N-(5-hydroxy-2,4-ditert-butyl-phenyl)-4-oxo-1H-quinoline-3-carboxamide; N-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide; N-(5-Hydroxy-2,4-bis(2-methyl-2-propanyl)phenyl]-4-oxo-1,4-dihydro-3-quinolinecarboxamide; N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide; 1134822-00-6; Ivacaftor;N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide;Ivacaftor; Kalydeco; ; ; N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-3-quinolinecarboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:66901	DB08820	DR00466	DR0898	392.5	C24H28N2O3	78.4	671	5.6	29	3	4	4	"1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)"	CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C	PURKAOJPTOLRMP-UHFFFAOYSA-N
DG01241	Iothalamate	23672589	"Diatrizoate sodium; Sodium diatrizoate; 737-31-5; Sodium amidotrizoate; Triombrine; Hypaque sodium; Sodium 3,5-diacetamido-2,4,6-triiodobenzoate; Diatrizoic acid sodium salt; Triombrin; Natrii amidotrizoas; Hypaque; Vascoray; Conray 35; Hypaque Cysto; Hpaque - cysto; Amidotrizoato sodico; Iothalamate; Histopaque; Diatrizoate sodium salt; Hypaque sodium 20%; Amidotrizoate de sodium; Urovist sodium; Hypaque 50; MD 50; Sodium diacetyldiaminetriiodobenzoate; Sodium Amidotrizoate (INN); Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-, monosodium salt; UNII-V5403H8VG7; Urografic acid, sodium salt; Diatrizoate sodium [USP]; Monosodium 3,5-diacetamido-2,4,6-triiodobenzoate; Ml 216; Win 8308-3; 3,5-Diacetamido-2,4,6-triiodobenzoic acid sodium salt; MD-50; MLS000069526; CHEBI:53692; V5403H8VG7; Gastrografin; 3,5-Diacetylamino-2,4,6-trijodbenzosaeure natrium; SMR000058586; Diatrizoate sodium (USP); sodium;3,5-diacetamido-2,4,6-triiodobenzoate; Sodium amidotrizoate [INN]; Diatrizoic acid sodium salt;Sodium amidotrizoate; Benzoic acid, 3,5-diacetamido-2,4,6-triiodo-, monosodium salt; Urovist Sodium 300; Radioselectan; Urovist 300; MFCD00150546; NSC-61815; Natrii amidotrizoas [INN-Latin]; Amidotrizoato sodico [INN-Spanish]; EINECS 212-004-1; NSC 61815; Amidotrizoate de sodium [INN-French]; Renografin 76 Injectable (Veterinary); HSDB 8078; Urographing 370; 3,5-Diacetamido-2,4,6-triiodobenzoic acid, sodium salt; Urovist sodium (TN); 3,5-Diacetylamino-2,4,6-trijodbenzosaeure natrium [German]; Benzoic acid, 3,5-diacetamido-2,4,6-triiodo-, sodium salt; Opera_ID_214; DSSTox_CID_2912; Sodium Diatrizoate [BAN]; DSSTox_RID_76785; DSSTox_GSID_22912; SCHEMBL37116; CHEMBL1200581; DTXSID7022912; HY-B0926A; Diatrizoic acid sodium salt hydrate; Tox21_301439; Diatrizoic acid sodium salt dihydrate; AKOS024371067; CCG-270302; MCULE-8322644190; NCGC00255327-01; CAS-737-31-5; CS-0013563; FT-0603095; A17075; D01013; D97593; sodium 3,5-bis(acetylamino)-2,4,6-triiodobenzoate; 3,5-Diacetamido-2,4,6-tiiodobenzoic acid sodium salt; Q27104811; 3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid, sodium salt"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:53692	.	.	.	635.89	C11H8I3N2NaO4	98.3	396	.	21	2	4	3	"1S/C11H9I3N2O4.Na/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);/q;+1/p-1"	CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I.[Na+]	ZEYOIOAKZLALAP-UHFFFAOYSA-M
DG01242	Auranofin	24199313	"AURANOFIN; 34031-32-8; (1-Thio-beta-D-glucopyranosato)(triethylphosphine)gold 2,3,4,6-tetraacetate; BCP08217; MMV688978; SKF 39162; AKOS026750078; FT-0662343; D78135; A937040; 1-Thio-; A-D-glucopyranosatotriethylphosphine gold-2,3,4,6-tetraacetate; 3,4,5-Triacetyloxy-6-(acetyloxymethyl) oxane-2-thiolate triethylphosphanium; gold(1+);3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate;triethylphosphane; SKF-39162; SKF-D-39162; SKF 39162; SKF D 39162; SKFD-39162; SKFD39162"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00995	DR01329	.	678.5	C20H34AuO9PS	115	532	.	32	0	10	12	"1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1"	CCP(CC)CC.CC(=O)OCC1C(C(C(C(O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au+]	AUJRCFUBUPVWSZ-UHFFFAOYSA-M
DG01253	Troleandomycin	202225	"TROLEANDOMYCIN; Triacetyloleandomycin; Oleandomycin triacetate; Oleandocetine; Cyclamycin; Tribiocillina; Oleandomycin triacetyl ester; Evramicina; 2751-09-9; Troleandomicina; Troleandomycine; Micotil; Triocetin; Aovine; Troleandomycinum; Oleandomycin, triacetate (ester); Matromycin T; Triacetyloleandomycinum; Matromicina; Treolmicina; UNII-C4DZ64560D; CHEBI:45735; C4DZ64560D; AI3-50166; TAO; Oleandomycin, triacetyl-; oleandomycin triacetate ester; Triolan; Viamicina; Wytrion; Treis-Micina; WY 651; NSC-108166; ACETYLOLEANDOMYCIN; Tao (VAN); Tao (TN); Prestwick3_000036; Triacetyloleandomycin (JAN); Troleandomycin (USAN/INN); BSPBio_000131; Troleandomycine [INN-French]; Troleandomycinum [INN-Latin]; SCHEMBL125071; Troleandomicina [INN-Spanish]; Triacetyl ester of oleandomycin; BPBio1_000145; CHEMBL564085; T.A.O.; Oleandomycin (as troleandomycin); HMS2089B10; HMS2095G13; HMS3712G13; Fmoc-(R)-3-Amino-5-hexenoicacid; EINECS 220-392-9; BDBM50370258; LMPK04000042; Troleandomycin [USAN:USP:INN:BAN]; ZINC169307271; CCG-220036; DB13179; NSC 108166; NCGC00179654-01; HY-108881; AB00513798; CS-0031241; D01322; AB00513798-02; Q1087499; BRD-K38310698-001-01-9; (3R,5R,6S,7R,8R,11R,12S,13R,14S,15S)-12-[(4-O-acetyl-2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-14-{[2-O-acetyl-3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-5,7,8,11,13,15-hexamethyl-4,10-dioxo-1,9-dioxaspiro[2.13]hexadecan-6-yl acetate; [(3R,5S,6S,7R,8S,9R,12R,13S,14S,15R)-6-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-[(2R,4S,5S,6S)-5-acetyloxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadecan-14-yl] acetate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45735	DB13179	.	.	814	C41H67NO15	184	1430	4.3	57	0	16	12	"1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41+/m0/s1"	C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C	LQCLVBQBTUVCEQ-QTFUVMRISA-N
DG01256	Dicycloplatin	44475103	"Dicycloplatin; UNII-0KC57I4UNB; 0KC57I4UNB; 287402-09-9; Azane, 1-carboxycyclobutane-1-carboxylate, platinum(2+); Platinum(2+) 1-carboxycyclobutanecarboxylate ammoniate (1:2:2); 1,1-Cyclobutanedicarboxylic acid, compd. with (sp-4-2)-diammine(1,1-cyclobutanedi(carboxylato-kappaO)(2-))platinum (1:1); Platinum, diammine(1,1-cyclobutanedi(carboxylato-kappaO)(2-))-, (sp-4-2)-, 1,1-cyclobutanedicarboxylate (1:1); Platinum, diammine(1,1-cyclobutanedicarboxylato(2-)-kappaO,kappaO'')-, (sp-4-2)-, 1,1-cyclobutanedicarboxylate (1:1); DB-119035; Cis-diammine(1,1-cyclobutanedicarboxylate)platinum(II); Q19776556; azane;cyclobutane-1,1-dicarboxylate;cyclobutane-1,1-dicarboxylic acid;platinum(2+)"	Registered	2	Apprpved Drug(s)	Registered	Small molecular drug	.	.	.	.	.	515.38	C12H20N2O8Pt	157	317	.	23	4	10	2	"1S/2C6H8O4.2H3N.Pt/c2*7-4(8)6(5(9)10)2-1-3-6;;;/h2*1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;;+2/p-2"	C1CC(C1)(C(=O)O)C(=O)O.C1CC(C1)(C(=O)[O-])C(=O)[O-].N.N.[Pt+2]	IIJQICKYWPGJDT-UHFFFAOYSA-L
DG01262	Exenatide	45588096	"Exenatide; Exendin-4; Byetta; Bydureon; UNII-9P1872D4OL; Exendin 4; 141758-74-9; 9P1872D4OL; AC 2993; AC2993A; Bydureon Pen; AC002993; ITCA 650; HSDB 7789; Exenatide [USAN:INN:BAN:JAN]; PT302; AC 2993A; DA 3091; Exenatide; Exendin-4; LY 2148568; SCHEMBL14634818; AKOS015994651; HS-2012; Y-100006; Exendin 3 (Heloderma horridum), 2-glycine-3-L-glutamic acid-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	4187	C184H282N50O60S	1780	10300	-21	295	58	66	135	"1S/C184H282N50O60S/c1-16-94(10)147(178(289)213-114(52-58-144(257)258)163(274)218-121(73-101-77-195-105-39-24-23-38-103(101)105)168(279)215-116(68-90(2)3)165(276)205-107(41-26-28-61-186)158(269)219-122(75-134(189)243)154(265)198-79-135(244)196-83-139(248)231-63-30-43-129(231)175(286)225-127(87-238)174(285)223-125(85-236)155(266)200-80-136(245)202-96(12)181(292)233-65-32-45-131(233)183(294)234-66-33-46-132(234)182(293)232-64-31-44-130(232)176(287)222-124(84-235)150(190)261)229-170(281)119(71-99-34-19-17-20-35-99)217-166(277)117(69-91(4)5)214-159(270)108(42-29-62-194-184(191)192)212-177(288)146(93(8)9)228-151(262)95(11)203-156(267)111(49-55-141(251)252)208-161(272)112(50-56-142(253)254)209-162(273)113(51-57-143(255)256)210-164(275)115(59-67-295-15)211-160(271)110(47-53-133(188)242)207-157(268)106(40-25-27-60-185)206-172(283)126(86-237)224-167(278)118(70-92(6)7)216-169(280)123(76-145(259)260)220-173(284)128(88-239)226-180(291)149(98(14)241)230-171(282)120(72-100-36-21-18-22-37-100)221-179(290)148(97(13)240)227-138(247)82-199-153(264)109(48-54-140(249)250)204-137(246)81-197-152(263)104(187)74-102-78-193-89-201-102/h17-24,34-39,77-78,89-98,104,106-132,146-149,195,235-241H,16,25-33,40-76,79-88,185-187H2,1-15H3,(H2,188,242)(H2,189,243)(H2,190,261)(H,193,201)(H,196,244)(H,197,263)(H,198,265)(H,199,264)(H,200,266)(H,202,245)(H,203,267)(H,204,246)(H,205,276)(H,206,283)(H,207,268)(H,208,272)(H,209,273)(H,210,275)(H,211,271)(H,212,288)(H,213,289)(H,214,270)(H,215,279)(H,216,280)(H,217,277)(H,218,274)(H,219,269)(H,220,284)(H,221,290)(H,222,287)(H,223,285)(H,224,278)(H,225,286)(H,226,291)(H,227,247)(H,228,262)(H,229,281)(H,230,282)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,191,192,194)/t94-,95-,96-,97+,98+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,146-,147-,148-,149-/m0/s1"	CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC9=CNC=N9)N	HTQBXNHDCUEHJF-XWLPCZSASA-N
DG01285	Lurbinectedin	57327016	"Lurbinectedin; 497871-47-3; PM01183; UNII-2CN60TN6ZS; 2CN60TN6ZS; PM 01183; PM-01183; [(1R,2R,3R,11S,12S,14R,26R)-5,12-dihydroxy-6,6'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-22-yl] acetate; Tryptamicidin; Zepzelca; Lurbinectedin [USAN:INN]; CHEMBL4297516; SCHEMBL16152477; GTPL10681; DTXSID30198065; EX-A4316; WHO 9397; NSC826275; PM1183; s9603; AT22223; CS-6323; DB12674; NSC-826275; PM-1183; HY-16293; J3.531.659K; J3.652.626B; PM01183;PM-1183;LY-01017;ryptamicidin; Q27254568; [(1R,2R,3R,11S,12S,14R,26R)-5,12-dihydroxy-6,6'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-22"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12674	.	.	784.9	C41H44N4O10S	190	1530	3.9	56	4	14	4	"1S/C41H44N4O10S/c1-17-11-20-12-25-39(48)45-26-14-52-40(49)41(38-22(9-10-42-41)23-13-21(50-5)7-8-24(23)43-38)15-56-37(31(45)30(44(25)4)27(20)32(47)33(17)51-6)29-28(26)36-35(53-16-54-36)18(2)34(29)55-19(3)46/h7-8,11,13,25-26,30-31,37,39,42-43,47-48H,9-10,12,14-16H2,1-6H3/t25-,26-,30+,31+,37+,39-,41+/m0/s1"	CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=C(CCN8)C2=C(N9)C=CC(=C2)OC)OCO7)C)OC(=O)C)C(=C1OC)O	YDDMIZRDDREKEP-HWTBNCOESA-N
DG01295	LCZ696	24755604	"LCZ-696; LCZ696 (Valsarta + sacubitril); sodium (S)-5-(4'-((N-(1-carboxylato-2-methylpropyl)pentanamido)methyl)-[1,1'-biphenyl]-2-yl)tetrazol-1-ide 4-(((2S,4R)-1-([1,1'-biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobutanoate hydrate; LCZ-696A; BCP10630; Q6457467; LCZ-696; LCZ 696;Entresto;Valsartan/sacubitril;Sacubitril mixture with Valsartan; Trisodium;4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoate;(2S)-3-methyl-2-[pentanoyl-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]amino]butanoate;hydrate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	931	C48H57N6Na3O9	197	1140	.	66	2	13	20	"1S/C24H29N5O3.C24H29NO5.3Na.H2O/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23;1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19;;;;/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H2,25,26,27,28,31,32);4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);;;;1H2/q;;3*+1;/p-3/t22-;17-,21+;;;;/m01..../s1"	CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=N[N-]3)[C@@H](C(C)C)C(=O)[O-].CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].O.[Na+].[Na+].[Na+]	UOLUPHRXIRFONO-JOYYXRJNSA-K
DG01303	Cefiderocol	77843966	"Cefiderocol; 1225208-94-5; UNII-SZ34OMG6E8; SZ34OMG6E8; GSK2696266; (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[[1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]pyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; S-649266; RSC 649266; Cefiderocol [INN]; Cefiderocol (USAN); Cefiderocol [WHO-DD]; Cefiderocol [USAN:INN]; CHEMBL3989974; SCHEMBL22508010; AKOS037648584; DB14879; GSK 2696266; BS-14716; HY-17628; CS-0016784; D11302; S 649266; Pyrrolidinium, 1-(((6R,7R)-7-(((2Z)-2-(2-amino-4-thiazolyl)-2-((1-carboxy-1-methylethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-(2-((2-chloro-3,4-dihydroxybenzoyl)amino)ethyl)-, inner salt"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	752.2	C30H34ClN7O10S2	310	1440	1	50	6	15	12	"1S/C30H34ClN7O10S2/c1-30(2,28(46)47)48-36-19(16-13-50-29(32)34-16)24(42)35-20-25(43)37-21(27(44)45)14(12-49-26(20)37)11-38(8-3-4-9-38)10-7-33-23(41)15-5-6-17(39)22(40)18(15)31/h5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47)/t20-,26-/m1/s1"	CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4(CCCC4)CCNC(=O)C5=C(C(=C(C=C5)O)O)Cl)C(=O)[O-]	DBPPRLRVDVJOCL-FQRUVTKNSA-N
DG01305	Vedolizumab	.	.	Approved	1	Approved Drug(s)	Approved	Biotech	.	.	DB09033	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01310	Valaciclovir	135398742	"Valacyclovir; Valaciclovir; 124832-26-4; Valtrex; ValACV; Zelitrex; Valcyclovir; Val-ACV; UNII-MZ1IW7Q79D; L-Valine ester with 9-((2-hydroxyethoxy)methyl)guanine; L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester; Valtrex (TN); CHEMBL1349; MZ1IW7Q79D; 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate; CHEBI:35854; 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate; Valcivir; (S)-2-[(2-Amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]ethyl-2-amino-3-methylbutanoate; Valaciclovir [INN:BAN]; Talavir; Virval; Valacyclover Hydrochloric; Acyclovir-valine; (S)-2-((2-Amino-6-oxo-1H-purin-9(6H)-yl)methoxy)ethyl 2-amino-3-methylbutanoate; 2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate; 256U87 HCl; Valaciclovir (INN); VACV; Valaciclovir, Valtrex; BW256U87; NCGC00159520-02; HSDB 8084; BW-256U; TXC; Valtrex (TM); Valcyclovir [INN:BAN]; 256U87; SCHEMBL28644; BSPBio_002474; MLS001304747; MLS006011776; GTPL4824; DTXSID1023732; HMS2090D20; HMS2234I15; BCP28415; ZINC1530713; BBL033701; BDBM50162073; STK802272; STL535579; ZB0748; 2-{[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]oxy}ethyl L-valinate; AKOS005622706; AKOS007930693; AKOS025149468; AKOS037496964; CS-1356; DB00577; valacyclovir hydrochloride (monohydrate); NCGC00178638-04; NCGC00178638-05; Valaciclovir;Val-ACV; Valtrex; Zelitrex; AC-11128; HY-17425; SMR000752514; SMR004703478; SBI-0206711.P001; D08664; AB00698497-11; AB01275525-01; AB01275525_02; AB01275525_03; 832V264; A805302; Q418594; W-200980; BRD-K46435977-003-01-2; BRD-K46435977-003-03-8; 2-[(2-amino-6-hydroxy-9H-purin-9-yl)methoxy]ethyl L-valinate; 2-[(2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)methoxy]ethyl-l-valinate; (S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)ethyl 2-amino-3-methylbutanoate; 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methyl-butanoate; 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate; (S)-2-[(2-Amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]ethyl-2-amino-3-methylbutanoate_x000D_; (S)-2-Amino-3-methyl-butyric acid 2-(2-amino-6-oxo-1,6-dihydro-purin-9-ylmethoxy)-ethyl ester; 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 2-amino-3-methyl-butanoate;L-Valine 2-(guanin-9-ylmethoxy)ethyl ester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:35854	DB00577	DR00078	.	324.34	C13H20N6O4	147	483	-0.9	23	3	7	8	"1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1"	CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N	HDOVUKNUBWVHOX-QMMMGPOBSA-N
DG01320	Abatacept	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	DB01281	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01321	Abciximab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01322	Adalimumab	.	.	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	.	DR00441	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01333	Belatacept	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01348	Chymotrypsin	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01350	CNTO-1959	.	.	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01368	Eptinezumab	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01385	Idarucizumab	.	.	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01397	Mefenamic	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01408	OM-89	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01417	Protamine	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01418	Rasburicase	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01419	RBPI-21	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01423	RHuEPO	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01429	Sargramostim	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01431	Sintilimab	.	.	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01439	Tecartus	.	.	Approved	1	Approved Drug(s)	Approved	CAR T Cell Therapy	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01450	Trumenba	.	.	Approved	1	Approved Drug(s)	Approved	Vaccine	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01451	Tuberculin	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01460	Abiraterone acetate	9821849	"Abiraterone acetate; 154229-18-2; Zytiga; CB7630; CB-7630; CB 7630; Yonsa; UNII-EM5OCB9YJ6; 17-(3-Pyridyl)-5,16-androstadien-3beta-acetate; EM5OCB9YJ6; [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; CHEBI:68639; NSC-748121; NSC-749227; (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-17-(PYRIDIN-3-YL)-2,3,4,7,8,9,10,11,12,13,14,15-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL ACETATE; 17-(pyridin-3-yl)androsta-5,16-dien-3beta-yl acetate; 3beta-17-(3-Pyridyl)androsta-5,16-dien-3-ol Acetate; (3beta)-17-(pyridin-3-yl)androsta-5,16-dien-3-yl acetate; Abiraterone Acotate; 17-(3-Pyridyl)androsta-5, acetate; Androsta-5, 17-(3-pyridinyl)-, 3-acetate,; Abiraterone acetate [USAN]; MFCD00934213; abiraterone-acetate; NCGC00186462-01; 3S,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol, 3-acetate; Abiraterone Acetate; Zytiga (TN); Abiraterone (acetate); Abiraterone acetate- Bio-X; DSSTox_CID_28969; DSSTox_RID_83234; DSSTox_GSID_49043; SCHEMBL93715; MLS006010090; CHEMBL271227; GTPL9288; Abiraterone acetate (JAN/USP); DTXSID3049043; EX-A107; BCP02949; ZINC3809191; Tox21_113589; BDBM50407398; NSC748121; NSC749227; s2246; Abiraterone acetate, >=98% (HPLC); AKOS015896502; CS-0544; DS-2007; JNJ 212082; NSC 748121; NSC 749227; JNJ-2012082; NCGC00379022-06; AC-25760; BA164133; HY-75054; SMR004701235; CAS-154229-18-2; X6144; D09701; 3b-acetoxy-17-(3-pyridyl)androsta-5,16-diene; 17-(3-Pyridyl)-5,16-androstadien-3-b-acetate; A809510; 3beta-Acetoxy-17-(3-pyridyl)androsta-5,16-diene; W-201385; BRD-K24048528-001-02-5; Q27888393; (3S)-3-Acetoxy-17-(pyridin-3-yl)androsta-5,16-diene; (3 )-17-(3-Pyridinyl)androsta-5,16-dien-3-yl acetate; (3beta)-17-(3-Pyridinyl)androsta-5,16-dien-3-ol acetate (ester); Abiraterone acetate, United States Pharmacopeia (USP) Reference Standard; Androsta-5,16-dien-3-ol, 17-(3-pyridinyl)-, acetate (ester), (3beta)-; (1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,13-dien-5-yl acetate; [(3S,10R,13S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate; acetic acid [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(3-pyridinyl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:68639	DB05812	DR0030	DR01327	391.5	3	C26H33NO2	39.2	739	5.2	29	0	3	CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C	"InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1"	UVIQSJCZCSLXRZ-UBUQANBQSA-N
DG50001	6-Diazo-5-oxo-norleucine	164	"6-Diazo-5-oxo-norleucine; 2-Amino-6-diazo-5-oxohexanoic acid; H-6-Diazo-5-oxo-Nle-OH; H-6-Diazo-5-oxo-D-Nle-OH; 764-17-0; L-DON;H-Glu(diazomethylketone)-OH;6-Diazo-5-oxo-L-2-aminohexanoic acid; D-DON;H-D-Glu(diazomethylketone)-OH;6-Diazo-5-oxo-D-2-aminohexanoic acid; NSC7365; DON; Norleucine, 6-diazo-5-oxo-; Diazooxonorleucin; DL-Diazooxonorleucine; CHEMBL1651883; BCP32099; AKOS022505117; 6-(15-diazenylidene)-5-oxonorleucine; SY264659; FT-0692870; (2S)-2-amino-6-diazo-5-oxohexanoic acid;L-Nle(6-Diazo-5-oxo)-OH"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7365	.	.	.	.	171.15	C6H9N3O3	82.4	232	-3.5	12	2	5	5	"InChI=1S/C6H9N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h3,5H,1-2,7H2,(H,11,12)"	C(CC(=O)C=[N+]=[N-])C(C(=O)O)N	YCWQAMGASJSUIP-UHFFFAOYSA-N
DG50002	Adenine	190	"adenine; 73-24-5; 1H-Purin-6-amine; 6-Aminopurine; 9H-Purin-6-amine; 7H-Purin-6-amine; Vitamin B4; Adenin; Adeninimine; Leuco-4; 6-Amino-1H-purine; 6-Amino-3H-purine; 6-Amino-7H-purine; 6-Amino-9H-purine; 1,6-Dihydro-6-iminopurine; 3,6-Dihydro-6-iminopurine; Purine, 6-amino-; USAF CB-18; 1H-Purine, 6-amino; ADE; 9H-Purine, 1,6-dihydro-6-imino-; 1H-Purine-6-amine; CCRIS 2556; AI3-50679; 3H-Purin-6(7H)-imine; NSC 14666; UNII-JAC85A2161; 9H-Purine-6-amine; 9H-purin-6-ylamine; CHEBI:16708; 1H-Purine, 6-amino-; MFCD00041790; 134434-48-3; 1H-purin-6(9H)-imine; 6H-Purin-6-imine, 3,9-dihydro-, (Z)- (9CI); CHEMBL226345; 134434-49-4; 134454-76-5; 66224-66-6; JAC85A2161; 6H-Purin-6-imine, 1,7-dihydro-, (Z)- (9CI); 6H-Purin-6-imine, 1,9-dihydro-, (E)- (9CI); 6H-Purin-6-imine, 3,7-dihydro-, (Z)- (9CI); NSC-14666; 134461-75-9; Adenine [JAN]; NCGC00094856-01; Pedatisectine B; DSSTox_CID_2557; DSSTox_RID_76627; DSSTox_GSID_22557; adenine-ring; CAS-73-24-5; Leucon (TN); Adenine (8CI); Adenine (JAN/USP); Adenine [USP:JAN]; SR-05000001754; 6-Aminopurine (Adenine); EINECS 200-796-1; 3H-PURIN-6-AMINE; 1H-Purin-6-amine (9CI); 3H-Purin-6-amine (9CI); 3h-adenine; 6-amino purine; 6-amino-Purine; purin-6-amine; 1jys; 1nli; 1wei; 2pqj; 3kpv; [3H]adenine; Adenine, 1; Adenine,(S); ALBB-005925; 7H-purin-6-ylamine; 9H-Purin-6-yl-amin; Adenine-[15N2]; Spectrum_001106; 2p8n; 9H-Purin-6-yl-amine; SpecPlus_000535; Adenine, >=99%; 9H-Purin-6-amine #; Spectrum2_000583; Spectrum3_000616; Spectrum4_001891; Spectrum5_000542; 6-Aminopurine;Vitamin B4; 3H-purin-6(9H)-imine; bmse000060; bmse000861; bmse000995; Epitope ID:140097; SCHEMBL8110; 6-Aminopurine, Vitamin B4; Oprea1_057274; US9138393, Adenine; US9144538, Adenine; BSPBio_002152; KBioGR_002447; KBioGR_002562; KBioSS_001586; KBioSS_002571; ZINC882; 71660-30-5; MLS001066342; DivK1c_006631; SPECTRUM1500807; SPBio_000426; GTPL4788; 9H-Purine,6-dihydro-6-imino-; DTXSID6022557; BDBM33218; KBio1_001575; KBio2_001586; KBio2_002562; KBio2_004154; KBio2_005130; KBio2_006722; KBio2_007698; KBio3_001652; KBio3_003040; 1,9-Dihydro-6H-purin-6-imine; Adenine 100 microg/mL in Water; cMAP_000085; 7H-Purin-6-amine, min. 95%; BCPP000433; BDBM181146; HMS1921I14; HMS2092K20; HMS2269I04; Pharmakon1600-01500807; BCP02865; HY-B0152; NSC14666; VCA70030; Tox21_111348; Tox21_302108; BBL007925; CCG-38506; HTS027705; NSC757793; s1981; STK387542; WLN: T56 BM DN FN HNJ IZ; AKOS000118903; AKOS005171607; Tox21_111348_1; (Z)-3,9-Dihydro-6H-purin-6-imine; AC-2028; AM83908; BCP9000233; CS-1984; DB00173; MCULE-6556342774; NSC-757793; SDCCGMLS-0066584.P001; NCGC00094856-02; NCGC00094856-03; NCGC00094856-05; NCGC00255120-01; 66224-67-7; 66224-69-9; 71660-29-2; AS-11841; BL008313; NCI60_000998; SMR000471871; SBI-0052324.P002; Adenine, Vetec(TM) reagent grade, >=99%; DB-013503; A0149; FT-0620943; FT-0656198; 73A245; Adenine, suitable for cell culture, BioReagent; C00147; D00034; P50008; Q15277; Z-1043; AB00052833-18; AB00052833-19; AB00052833_20; AB00052833_22; AB00052833_23; AB00052833_24; A935233; Q-200595; SR-05000001754-1; SR-05000001754-2; W-106856; Adenine, BioReagent, plant cell culture tested, >=99%; Adenine, European Pharmacopoeia (EP) Reference Standard; F0001-1848; Z1250132272; 6379C0E0-C1BB-4087-96C5-1DE281B8EA4C; Adenine, United States Pharmacopeia (USP) Reference Standard; Adenine, Pharmaceutical Secondary Standard; Certified Reference Material"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14666	.	.	.	.	135.13	C5H5N5	80.5	127	-0.1	10	2	4	0	"InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)"	C1=NC2=NC=NC(=C2N1)N	GFFGJBXGBJISGV-UHFFFAOYSA-N
DG50003	"2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol"	191	"3228-71-5; 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; .beta.-Adenosine; 9-Arabinosyladenine; 9-pentofuranosyl-9H-purin-6-amine; Adenine riboside;D-Adenosine; Xylosyladenine; Vidarabin; MLS000699527; NSC87676; beta-L-Adenosine; Xylosyl A; NSC70422; NSC247519; NSC404241; SMR000225041; Adenine 9-beta-D-arabinofuranoside; 9-alpha-L-Ribofuranosyl-9H-purin-6-amine; .beta.-D-Arabinosyladenine; Vidarabine (monohydrate); 9.beta.-D-Arabinofuranosyladenine; Adenine .beta.-d-arabinofuranoside; C10H13N5O4; 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; NSC 7359; Vira ATM; .beta.-D-Adenosine; Adenine, 9-.alpha.-D-xylofuranosyl-; Adenine, 9.beta.-D-arabinofuranosyl-; NSC 404241; 235764-37-1; 9H-Purin-6-amine, 9-.alpha.-D-xylofuranosyl-; 9H-Purin-6-amine, 9.beta.-D-arabinofuranosyl-; NSC7359; NSC7652; 9-.alpha.-D-Xylofuranosyladenine; NSC-7652; .beta.-D-Ribofuranoside, adenine-9; 9-.alpha.-D-Arabinofuranosyladenine; NSC627048; NSC-247519; 4005-33-8; XA; Adenosine-8-14C; VIRDARABINE; 6-Amino-9.beta.-D-ribofuranosyl-9H-purine; Adenine, 9-.alpha.-D-arabinofuranosyl-; Opera_ID_164; 9-.beta.-Arabinoadenosine; REGID_for_CID_191; 9-.beta.-Arabinosyladenine; NCIOpen2_003303; NCIOpen2_005376; SCHEMBL63363; ZCCY002; .beta.-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-; 9H-Purin-6-amine, 9-.alpha.-D-arabinofuranosyl-; MLS006011831; CHEMBL11909; 9.beta.-D-Ribofuranosyladenine; SCHEMBL20419324; 9-.beta.-D-Xylofuranosyladenine; CHEBI:93913; .alpha.-D-Arabinofuranosyladenine; ARA-A NSC 247519; BDBM199118; HMS2688C17; HMS3369A21; HMS3372M16; HMS3374D06; HMS3655A12; HMS3655G15; Adenine-.beta.-D-arabinofuranoside; 148207-18-5; 2946-52-3; 9-.beta.-D-Arabinofuranosyladenine; BCP25434; BCP32271; NSC-7359; NSC80832; NSC87676; NSC91041; Adenine, 9-.beta.-D-xylofuranosyl-; BBL007185; MFCD00475667; MFCD28053745; NSC-70422; NSC-80832; NSC-87676; NSC-91041; STK361815; Adenine-9-.beta.-D-arabinofuranoside; AKOS005429469; MCULE-7671875172; NSC-627048; Adenine, 9-.beta.-D-arabinofuranosyl-; NCGC00015103-03; NCGC00015103-04; NCGC00015103-05; NCGC00015103-06; NCGC00094579-01; NCGC00094579-02; NCGC00094579-03; NCGC00094579-04; AS-69806; NCI60_003823; NCI60_037192; SY001357; SY104375; 6-Amino-9-.beta.-D-arabinofuranosylpurine; DB-052972; DB-124990; FT-0601178; FT-0620931; FT-0635806; FT-0661426; 9H-Purin-6-amine, 9.beta.-D-ribofuranosyl-; Beta-L-adenosine pound>>(c)micro-L-Adenosine; VIDARABINE(200MG)G-2939UG/MG(AI); 9-.beta.-D-Arabinofuranosyl-9H-purin-6-amine; 9H-Purin-6-amine, 9-.beta.-D-xylofuranosyl-; L000094; F2ECA788-2ABC-49AB-AD84-0A0759DD3A91; Q27165666; WLN: T56 BN DN FN HNJ IZ D- BT5OTJ CQ DQ E1Q; alpha-Adenosine;9- (c) paragraph sign- D- ribofuranosyl-9H- Purin- 6- amine; 123179-97-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	404241	.	.	.	.	267.24	C10H13N5O4	140	335	-1.1	19	4	8	2	"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)"	C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N	OIRDTQYFTABQOQ-UHFFFAOYSA-N
DG50004	Allantoin	204	"allantoin; 97-59-6; 5-Ureidohydantoin; Glyoxyldiureide; 1-(2,5-dioxoimidazolidin-4-yl)urea; Cordianine; Glyoxyldiureid; Allantol; Sebical; Alantan; AVC/Dienestrolcream; Urea, (2,5-dioxo-4-imidazolidinyl)-; Hydantoin, 5-ureido-; Cutemol emollient; Uniderm A; Psoralon; Septalan; (2,5-Dioxo-4-imidazolidinyl)urea; Glyoxylic diureide; Glyoxylic(acid) diureide; NSC 7606; Caswell No. 024; (2,5-dioxoimidazolidin-4-yl)urea; 5-Ureido-2,4-imidazolidindion; N-(2,5-Dioxo-4-imidazolidinyl)urea; CCRIS 1958; 2,5-Dioxo-4-imidazolidinyl-urea; DL-Allantoin; Fancol TOIN; 5-Ureidohydrantoin; EPA Pesticide Chemical Code 085701; C4H6N4O3; 4-ureido-2,5-Imidazolidinedione; AI3-15281; NSC7606; Allantoin (JAN/USP); MFCD00005260; N-(2,5-dioxoimidazolidin-4-yl)urea; 97-59-6 (racemic); urea, N-(2,5-dioxo-4-imidazolidinyl)-; MLS000737882; 5-Ureido-2,4-imidazolidindione; CHEBI:15676; NSC-7606; DSSTox_CID_43; Herpecin L; D00121; DSSTox_RID_75334; DSSTox_GSID_20043; Allantoin [USAN:BAN]; SMR000528073; SR-01000766252; EINECS 202-592-8; BRN 0102364; Alwextin; HSDB 7490; Allantoin [USAN:USP:BAN:JAN]; CAS-97-59-6; Prestwick_11; NCGC00016358-01; Allation,(S); 5-ureido-Hydantoin; Allantoin (8CI); (+/-)-Allantoin; Spectrum_001078; Idelalisib metabolite m1a; Prestwick0_000002; Prestwick1_000002; Prestwick2_000002; Prestwick3_000002; Spectrum2_000219; Spectrum3_000876; Spectrum4_000716; Spectrum5_001526; bmse000437; EC 202-592-8; SCHEMBL3208; Oprea1_621175; BSPBio_000003; BSPBio_002551; KBioGR_001271; KBioSS_001558; 5-25-15-00338 (Beilstein Handbook Reference); MLS002473300; Allantoin, analytical standard; DivK1c_000281; SPECTRUM1500801; Allantoin-[13C2,15N4]; SPBio_000237; SPBio_001924; BPBio1_000005; CHEMBL593429; DTXSID3020043; 5-Ureidohydantoin;Glyoxyldiureide; HMS500O03; KBio1_000281; KBio2_001558; KBio2_004126; KBio2_006694; KBio3_002051; Sd 101; Allantoin, >=98.0% (N); NINDS_000281; Urea,5-dioxo-4-imidazolidinyl)-; HMS1568A05; HMS1921I10; HMS2092K16; HMS2095A05; HMS2268N08; HMS3712A05; HMS3885M08; Pharmakon1600-01500801; AMY13912; BCP31832; component of Skin-balm (Salt/Mix); HY-N0543; 2,5-Imidazolidinedione, 4-ureido-; Tox21_110395; Tox21_202087; Tox21_302912; BBL027508; CCG-39781; NSC757792; s3856; STL373778; AKOS000120642; AKOS016038547; Tox21_110395_1; CS-7741; DB11100; MCULE-1008326286; NSC-757792; SDCCGMLS-0066595.P001; 1-(2,5-Dioxoimidazolidin-4-yl);urea; IDI1_000281; Allantoin, p.a., 98.5-101.0%; N-(2,5-Dioxo-4-imidazolidinyl)urea #; NCGC00094854-01; NCGC00094854-02; NCGC00094854-03; NCGC00094854-04; NCGC00094854-05; NCGC00094854-07; NCGC00256403-01; NCGC00259636-01; (RS)-(2,5-dioxoimidazolidin-4-yl)urea; AC-11040; AS-13865; H736; NCI60_041675; N-(2,5-Dioxo-4(1h)-imidazolidinyl)urea; SBI-0051759.P002; A0211; AB00052307; FT-0604592; C01551; D85069; J10470; Urea, (2,5-dioxo-4-imidazolidinyl)- (9CI); AB00052307_11; Q409804; J-522839; SR-01000766252-2; SR-01000766252-3; SR-01000766252-4; W-100104; Allantoin, European Pharmacopoeia (EP) Reference Standard; A999F0D6-0285-41D9-A6BA-B705987B663C; Allantoin, United States Pharmacopeia (USP) Reference Standard; Allantoin, Pharmaceutical Secondary Standard; Certified Reference Material; 5-Ureidohydantoin; Glyoxyldiureide; Glyoxylic diureide; Cordianine; Glyoxyldiureid; (2,5-Dioxo-4-imidazolidinyl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7606	.	.	.	.	158.12	C4H6N4O3	113	225	-2.2	11	4	3	1	"InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)"	C1(C(=O)NC(=O)N1)NC(=O)N	POJWUDADGALRAB-UHFFFAOYSA-N
DG50005	NSC657957	302	"7-Cheto-deoxycholic acid; NSC657957; 3,12-Dihydroxy-7-oxocholan-24-oic acid; 4-(3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid; FT-0670626"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657957	.	.	.	.	406.6	C24H38O5	94.8	676	3.3	29	3	5	4	"InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,20,22,25,27H,4-12H2,1-3H3,(H,28,29)"	CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(=O)CC4C3(CCC(C4)O)C)O)C	RHCPKKNRWFXMAT-UHFFFAOYSA-N
DG50006	Cytosine arabinoside monophosphate	314	"Cytosine arabinoside monophosphate; 30811-80-4; NSC99445; POLY C; [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate; MLS002701948; Poly(rC); Poly(cytidylic acid); Polyribocytidylic acid; Cytosine arabinoside 5'-phosphate; NSC-99445; 5'-Cytidylic acid, homopolymer; 5'-Cytidylic acid, polymers; 5'-Cytidylic acid homopolymer; Polycytidylic acid sodium salt; CHEMBL296272; SCHEMBL6115643; CHEBI:181445; BCP33637; Cytosine, 5'-(dihydrogen phosphate); NSC120953; STL452942; STL454151; STL454992; AKOS024275782; MCULE-5499577546; NSC-120953; [5-(4-amino-2-oxohydropyrimidinyl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate; NCI60_042226; SMR001565530; FT-0624322; FT-0655251; FT-0665428; Cytidine-5'-monophosphate;Cytidine monophosphate; 1-.beta.-D-Arabinofuranosylcytosine 5'-phosphate; 4-amino-1-(5-O-phosphonopentofuranosyl)pyrimidin-2(1H)-one; 4-imino-1-(5-O-phosphonopentofuranosyl)-1,4-dihydropyrimidin-2-ol; 2(1H)-Pyrimidinone, 4-amino-1-(5-O-phosphono-.beta.-D-arabinofuranosyl)-; 4-imino-1-(5-O-phosphonopentofuranosyl)-3,4-dihydropyrimidin-2(1H)-one; (5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate; 686299-78-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99445	.	.	.	.	323.2	C9H14N3O8P	175	531	-3.4	21	5	8	4	"InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)"	C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O	IERHLVCPSMICTF-UHFFFAOYSA-N
DG50007	N-Acetyl-DL-cysteine	581	"N-Acetyl-DL-cysteine; 7218-04-4; 2-acetamido-3-sulfanylpropanoic acid; 2-Acetamido-3-mercaptopropanoic acid; L-Cysteine, N-acetyl-; 2-Acetylamino-3-mercapto-propionic acid; Mucolyticum-Lappe; Flumicil; NSC111180; DL-Acetylcysteine; L-Cysteine,; Sodium 2-acetamido-3-mercaptopropionate; Ac-D-Cys-OH; Ac-DL-Cys-OH; DL-Cysteine, N-acetyl-; SCHEMBL5291; WLN: SH1YVQMV1 -L; HSCH2CH(NHCOCH3)CO2H; CHEMBL145615; DTXSID8048105; EINECS 230-609-9; MFCD00151956; STL135991; STL454996; (Z)-N-(1-hydroxyethylidene)cysteine; AKOS002434507; AKOS017342892; 2-Acetylamino-3-mercaptopropanoic acid; MCULE-8740981134; 2-acetylamino-3-mercapto propionic acid; NCGC00015086-03; AS-57272; NCI60_000255; SY009511; CS-0071230; FT-0629832; FT-0661198; 2-chloro-3-methoxythiophene-4-carboxylic acid; F2173-0391; 45F1315B-9604-4E8C-8048-902731179704"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111180	.	.	.	.	163.2	C5H9NO3S	67.4	148	0.4	10	3	4	3	"InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)"	CC(=O)NC(CS)C(=O)O	PWKSKIMOESPYIA-UHFFFAOYSA-N
DG50008	Cytosar	596	"Cytarabin; .beta.-Arabinosylcytosine; .beta.-Cytosine arabinoside; .beta.-D-Arabinosylcytosine; Cytosine-.beta.-arabinoside; Arabinofuranosylcytosine; Aracytidine; Cytarabinoside; Spongocytidine; Cytosar; 1.beta.-D-Arabinosylcytosine; Alexan; MLS003389283; Cytosine, .beta.-D-arabinoside; 1.beta.-Arabinofuranasylcytosine; Arabinosylcytosine; 4-amino-1-pentofuranosylpyrimidin-2(1H)-one; Cytosine arabinose; NCI-C04728; 1.beta.-D-Arabinofuranosylcytosine; 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; Cytosine, 1-.beta.-D-arabinosyl-; Cytosine-.beta.-D-arabinofuranoside; 1-.beta.-D-Arabinofaranosylcytosine; Cylocide; NSC 63878; Cytosine-beta-D-arabinofuranoside; Cytosine, 1-.beta.-D-arabinofuranosyl-; 1-Arabinofuranosylcytosine; 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one; Cytarabina; Arabitin; Aracytine; Arafcyt; Depocyt; Erpalfa; Iretin; 1-.beta.-D-Arabinofuranosyl-4-amino-2(1H)pyrimidinone; Cytosine beta-D-riboside;Cytosine-1-beta-D-ribofuranoside; Cytosine beta-D-arabinofuranoside;Cytosine Arabinoside;Ara-C; MLS002702869; Cytosine beta-D-arabinofuranoside hydrochloride;Cytosine Arabinoside hydrochloride;Ara-C hydrochloride; SMR001549941; 1.beta.-Ribofuranosylcytosine; 1.beta.-D-Ribofuranosylcytosine; 4-Amino-1-arabinofuranosyl-2-oxo-1,2-dihydropyrimidine; C9H13N3O5; 2(1H)-Pyrimidinone, 4-amino-1-.beta.-D-arabinofuranosyl-; U 19920; NSC-20258; NSC287459; .beta.-D-Ribofuranoside, cytosine-1; CYTARABINE, Cytarabine (Cytosine 1-b-D-arabinofuranoside), CYTIDINE; Cytosine, 1-.beta.-D-ribofuranosyl-; AC-1075; NSC 287459; NSC-287459; 4-Amino-1-(3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one; 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; U 19920A; AC 1075; CHEMBL78; U-19,920; 4-Amino-1.beta.-D-ribofuranosyl-2(1H)-pyrimidinone; ChemDiv1_027335; MolMap_000003; 2(1H)-Pyrimidinone, 4-amino-1-.beta.-D-ribofuranosyl-; Oprea1_593929; Oprea1_858801; SCHEMBL149563; Cytosine .beta.-D-arabinoside; 1-(b-D-Xylofuranosyl)cytosine; HMS664K11; 1-.beta.-Arabinofuranosylcytosine; 1-.beta.-D-Ribofuranosylcytosine; HMS3371G12; HMS3393K19; HMS3428O03; HMS3655P13; ALBB-021997; CHX-3311; NSC20258; 1-.beta.-D-Arabinofuranosylcytosine; BBL028243; NSC249004; STK391124; AKOS001590380; AKOS017259253; Cytosine-1-.beta.-D-arabinofuranoside; MCULE-1440805673; NSC-249004; SMP2_000209; NCGC00015258-02; NCGC00015258-03; NCGC00015258-04; NCGC00015258-05; NCGC00094638-01; NCGC00094638-02; NCGC00094638-03; NCGC00094638-04; AS-12090; NCI60_012951; SY004943; SY005417; DB-124991; U-19920 A; FT-0624314; FT-0624315; FT-0774114; WLN: T6NVNJ DZ A-BT5OTJ CQ DQ E1Q; AB01273973-01; L001298; SR-01000597029; SR-01000597029-1; 2(1H)-Pyrimidinone, 4-amino-1.beta.-D-ribofuranosyl-; 4-Amino-1-.beta.-D-arabinofuranosyl-2(1H)-pyrimidinon; 4-Amino-1-.beta.-d-arabinofuranosyl-2(1H)-pyrimidinone; 2(1H)-Pyrimidinone, 4-amino-1.beta.-D-arabinofuranosyl-; 688007-26-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	287459	.	.	.	.	243.22	C9H13N3O5	129	383	-2.1	17	4	5	2	"InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)"	C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O	UHDGCWIWMRVCDJ-UHFFFAOYSA-N
DG50009	"Uridine, 2'-deoxy-"	640	"2'-Desoxyuridine; Uridine, 2'-deoxy-; 2-Deoxyuridine; Deoxyribose uracil; NSC23615; Desoxyuridine; dURD; Uracil desoxyuridine; NSC 23615; 2'-Deowyuridine; 1-(2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one; URIDINE, 2-DEOXY-; SCHEMBL2641582; 1-((2S,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione; NSC-23615; STK681025; AKOS005596404; AKOS026750183; MCULE-1366297741; 2 inverted exclamation mark -Deoxyuridine; LS-13642; SY038939; DB-021004; EU-0050286; FT-0612154; FT-0665865; SR-01000091549; 1-(2-Deoxy-.beta.-D-erythro-pentofuranoxyl)uracil; SR-01000091549-1; 2,3H)-Pyrimidinedione, 1-(2-deoxy-.beta.-D-ribofuranosyl)-; 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-.beta.-D-ribofuranosyl)-; 2,3H)-Pyrimidinedione, 1-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-; 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-; 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione; 1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23615	.	.	.	.	228.2	C9H12N2O5	99.1	343	-1.6	16	3	5	2	"InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)"	C1C(C(OC1N2C=CC(=O)NC2=O)CO)O	MXHRCPNRJAMMIM-UHFFFAOYSA-N
DG50010	D-Azaserine	830	"D-Azaserine; NSC166613; CI-337;O-Diazoacetyl-L-serine;P-165; CI-337; NCGC00018164-02; O-Diazoacethylserin; 76749-44-5; Spectrum_002000; Spectrum2_001221; Spectrum3_001853; Spectrum4_001258; SCHEMBL8862; BSPBio_003266; KBioGR_001816; KBioSS_002576; DivK1c_000319; SPECTRUM1502113; SPBio_001062; CHEMBL1651884; BDBM39339; cid_5284344; HMS500P21; KBio1_000319; KBio2_002567; KBio2_005135; KBio2_007703; KBio3_002767; NINDS_000319; HMS1923O17; HMS2092D12; HMS3371A15; Pharmakon1600-01502113; CCG-39932; NSC758188; NSC-166613; NSC-758188; IDI1_000319; NCGC00018164-03; NCGC00018164-04; NCGC00095279-01; NCGC00095279-02; NCGC00095279-03; 2-amino-3-[(2-diazoacetyl)oxy]propanoic acid; AB00053161_02; SR-05000001597; SR-05000001597-1; 6-NITRO-1H-1LAMBDA6-BENZO[B]THIOPHENE-1,1-DIONE; (E)-1-[(2S)-2-amino-2-carboxy-ethoxy]-2-diazonio-ethenolate; (E)-1-[(2S)-2-amino-2-carboxyethoxy]-2-diazonioethenolate; aminoacid antagonist: inhibits protein and nucleic acid synthesis; (E)-1-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy]-2-diazonio-ethenolate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758188	.	.	.	.	173.13	C5H7N3O4	91.6	233	-3.2	12	2	6	5	"InChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3H,2,6H2,(H,10,11)"	C(C(C(=O)O)N)OC(=O)C=[N+]=[N-]	MZZGOOYMKKIOOX-UHFFFAOYSA-N
DG50011	Inositol	892	"inositol; myo-inositol; Scyllo-inositol; Muco-Inositol; epi-Inositol; i-Inositol; Allo-inositol; 87-89-8; meso-Inositol; 1D-Chiro-inositol; 1L-Chiro-inositol; D-(+)-chiro-Inositol; 643-12-9; 488-59-5; Neo-inositol; D-chiro-Inositol; cis-Inositol; Myoinositol; Scyllitol; Cyclohexane-1,2,3,4,5,6-hexaol; 6917-35-7; cyclohexane-1,2,3,4,5,6-hexol; mesoinositol; 488-58-4; Quercinitol; Meat sugar; 551-72-4; Cocositol; Myoinosite; Dambose; Inositene; Inositina; Phaseomannite; Inosital; Inosite; Iso-inositol; Cyclohexitol; Phaseomannitol; Mesoinosit; Mesoinosite; Scyllite; Mesovit; Nucite; Mesol; 41546-34-3; L-chiro-Inositol; Inositol, myo-; chiro-inositol; Cyclohexanehexol; Inositol, meso-; 643-10-7; L-Inositol; D-myo-Inositol; cis-1,2,3,5-trans-4,6-Cyclohexanehexol; Bios I; Insitolum; Isoinositol; (-)-Inositol; 488-55-1; Hexahydroxycyclohexane; L-myo-Inositol; Inositol, i-; L-(-)-chiro-Inositol; Inositol (VAN); 488-54-0; Inositol, allo-; Inositol, muco-; 1D-myo-Inositol; 1L-myo-Inositol; 576-63-6; Inositol, scyllo-; 1,2,3,4,5,6-Cyclohexanehexol; Rat antispectacled eye factor; Levoinositol; CCRIS 6745; AZD 103; Inositol, epi-; UNII-63GQX5QW03; UNII-8LQ63P85IC; UNII-9O6Y5O4P9W; UNII-R1Y9F3N15A; 1,2,3,5-trans-4,6-Cyclohexanehexol, cis-; MFCD00077932; ELND005; 1,3,5/2,4,6-Hexahydroxycyclohexane; UNII-4661D3JP8D; UNII-6R79WV4R10; (1R,2R,3R,4R,5S,6S)-Cyclohexane-1,2,3,4,5,6-hexaol; (1R,2R,3S,4S,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; 1-L-chiro-Inositol; (-)-chiro-Inositol; UNII-1VS4X81277; CHEBI:17268; AI3-16111; NSC8101; 1,3,5/2,4,6-cyclohexanehexol; UNII-4L6452S749; UNII-587A93P465; 1,2,3,5/4,6-Cyclohexanehexol; NSC 8101; (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol; (1R,2R,3R,4S,5S,6s)-cyclohexane-1,2,3,4,5,6-hexaol; (1R,2R,3S,4R,5r,6S)-cyclohexane-1,2,3,4,5,6-hexaol; (1R,2R,3S,4S,5S,6S)-Cyclohexane-1,2,3,4,5,6-hexaol; 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE; MFCD00065455; NSC404118; Inositol, myo- (8CI); myo-Inositol;meso-Inositol; 1,2,3,4,5,6-Hexahydroxycyclohexane; NSC 404118; 63GQX5QW03; 8LQ63P85IC; 9O6Y5O4P9W; R1Y9F3N15A; CHEBI:10642; CHEBI:23927; CHEBI:27372; CHEBI:27987; 4661D3JP8D; 6R79WV4R10; MI; Inositol (VAN8C; NSC-8101; NSC45517; NSC55551; NSC55552; NSC-25142; NSC-55551; UNII-M94176HJ2F; 1VS4X81277; NSC-404118; INS; (1s,2s,3s,4s,5s,6s)-cyclohexane-1,2,3,4,5,6-hexol; NCGC00159409-02; (1R,2R,3R,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; (1r,2R,3R,4s,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; (1r,2R,3S,4r,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol; (1R,2R,3S,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexaol; (1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol; (1s,2R,3R,4s,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; 4L6452S749; 587A93P465; DSSTox_CID_3146; DSSTox_RID_76890; DSSTox_GSID_23146; 1,3,4,5,6-Cyclohexanehexol; 1,3,5/4,6-Cyclohexanehexol; alloinositol; neoinositol; 1,2,4/3,5,6-cyclohexanehexol; rel-(1r,2r,3r,4r,5r,6r)-Cyclohexane-1,2,3,4,5,6-hexaol; rel-(1R,2r,3S,4R,5s,6S)-Cyclohexane-1,2,3,4,5,6-hexaol; Mouse antialopecia factor; 1,2,3,4,5,6-Cyclohexanehexol #; cis-1,2,3,4,5,6-cyclohexanehexol; Inositol, cis-; Inositol, neo-; CAS-87-89-8; cis-1,3,5-trans-4,6-Cyclohexanehexol; epi-Cyclohexanehexol; SMR000857145; SMR000857319; SMR000857320; M94176HJ2F; (+)-Inositol; Inositol NF 12; scyllo-Cyclohexanehexol; SR-05000001655; Chiro-inositol, (-)-; EINECS 201-781-2; inositols; Matezodambose; an inositol; Inositol [Nonspecific isomer]; Muscle sugar; ELND 005; inositol myo-; D-muco-Inositol; Inositol, myo; Inositol FCC; 4irx; Inositol, chiro-; rac-chiro-inositol; Inosital (TN); Inositol (NF); CBU; EINECS 207-681-5; EINECS 207-682-0; EINECS 209-000-7; EINECS 211-393-5; EINECS 211-394-0; EINECS 230-024-9; NSC 25142; EPIINOSITOL; (+)-Epi-Inositol; (+)-Chiro-Inositol; Epi-inositol, 98%; allo-Inositol, 97%; Inositol [USAN:NF]; INOSITOL, MESO; Spectrum_001595; 2os9; orthorhombic myo-inositol; D-(+)-Chiro Inositol; J101.890F; J101.891D; Chiro-inositol, (+)-; INOSITOL (D); INOSITOL (L); Spectrum3_001053; Spectrum4_001193; Spectrum5_000961; myo-Inositol, >=99%; bmse000102; bmse000103; bmse000113; bmse000901; bmse000922; Epitope ID:144993; scyllo-Inositol, >=98%; SCHEMBL5831; SCHEMBL5832; SCHEMBL5969; NCIOpen2_008191; BSPBio_002606; KBioGR_001885; KBioSS_002075; 38876-99-2; MLS001332377; MLS001332378; MLS001335965; MLS001335966; MLS001335967; MLS001335968; SCHEMBL187278; SCHEMBL187397; SCHEMBL187796; SCHEMBL188106; SCHEMBL188237; SCHEMBL491333; SCHEMBL959404; SCHEMBL959405; AZD103; CHEMBL278373; CHEMBL468154; ELND-005; GTPL4495; GTPL4645; GTPL4648; GTPL4649; MEGxp0_001817; SCHEMBL1055883; SCHEMBL4748543; SCHEMBL6378921; SCHEMBL6468882; SCHEMBL6791918; CHEMBL1222251; CHEMBL1231671; CHEMBL1950780; CHEMBL3976780; DTXSID7023146; SCHEMBL12371461; SCHEMBL12377889; SCHEMBL12411898; SCHEMBL12711208; SCHEMBL12735687; SCHEMBL13058696; SCHEMBL13114115; SCHEMBL13114116; SCHEMBL13114128; SCHEMBL13207905; SCHEMBL13580047; SCHEMBL14542470; SCHEMBL21388397; ACon1_002457; CHEBI:22357; CHEBI:23311; CHEBI:24848; CHEBI:25492; CHEBI:27374; D-(+)-chiro-Inositol, 95%; KBio2_002075; KBio2_004643; KBio2_007211; KBio3_001826; L-(-)-chiro-Inositol, 95%; AZD-103; DTXSID30110000; DTXSID50905091; DTXSID60903982; myo-Inositol, p.a., 98.0%; 1,2,3,4,5/6-cyclohexanehexol; 1,2,3,4/5,6-cyclohexanehexol; 1,2,3/4,5,6-cyclohexanehexol; 1,2,4,5/3,6-cyclohexanehexol; HMS2091N13; HMS2230N03; HMS2235H05; HMS2235M23; HMS3369B06; HMS3369F20; HMS3373E05; Pharmakon1600-01500352; 1,2,3,4,5,6-Cyclohexanehexaol; BCP25172; HY-B1411; HY-N3021; NSC25142; NSC55558; ZINC1530357; D-myo-Inositol, Cell Culture Grade; Tox21_111642; Tox21_302035; 6643AB; CCG-36096; cis-Inositol, >=98.0% (TLC); MFCD00003863; MFCD00272608; MFCD00799555; MFCD00799556; MFCD01321249; NSC 55552; NSC 55558; NSC-45517; NSC-55552; NSC-55558; NSC103959; NSC127230; NSC757076; s4530; STL453612; epi-Inositol, >=98.0% (HPLC); 1,2,3,4,5,6/0-cyclohexanetetrol; AKOS006240678; AKOS006332036; AKOS015895894; AKOS015912905; AKOS015912934; AKOS015960429; AKOS015960633; AKOS015994742; AKOS024318869; Tox21_111642_1; ZINC100018867; ZINC100019018; ZINC100024490; ZINC100032893; ZINC100035580; ZINC100037751; ZINC100055570; ZINC100073149; ZINC100513675; ZINC101185827; ZINC102201844; ZINC103574430; ZINC103574467; ZINC103574475; ZINC250615063; ZINC253837650; ZINC306121118; CS-4782; CS-W010757; DB03106; DB13178; DB15350; HY-W010041; KS-1284; KS-1420; MCULE-2727773046; NSC 103959; NSC 127230; NSC-103959; NSC-127230; NSC-757076; SB44732; SB45039; SB46764; SB46855; D-chiro-Inositol, >=98.0% (HPLC); NCGC00159409-03; NCGC00159409-04; NCGC00169828-01; NCGC00178580-01; NCGC00178580-03; NCGC00255362-01; AC-11070; AS-10616; AS-68396; AS-68424; cyclohexane-1R,2R,3S,4S,5R,6S-hexol; K572; LS-13189; NCI60_041778; SY060836; myo-Inositol, purum, >=98.0% (HPLC); rac-chiro-1,2,3,4,5,6-cyclohexanehexol; SBI-0051369.P003; cis-1,2,4-trans-3,5,6-Cyclohexanehexol; DB-051583; DB-051584; DB-054642; HY-121962; myo-Inositol, for microbiology, >=99.0%; CS-0023004; CS-0083766; FT-0627237; FT-0632208; FT-0632209; FT-0632730; FT-0652045; FT-0670351; FT-0670357; FT-0693444; FT-0693614; I0040; I0628; I0629; I0630; I0631; I0632; I0633; S6176; myo-Inositol, BioUltra, >=99.5% (HPLC); myo-Inositol, SAJ special grade, >=99.0%; myo-Inositol, Vetec(TM) reagent grade, 99%; C00137; C06151; C06152; C06153; C19891; D08079; D78450; D91187; D91188; D91189; E78671; F19572; I-6500; M01914; T72516; 2-Cyano-N-(2,4,6-trimethyl-phenyl)-acetamide; AB00051982_13; 643C129; A834712; A836375; A866896; Q407997; Q743661; Q-201583; Q2838375; Q2974313; Q3011024; Q3023527; Q3205874; Q3331426; Q3347078; Q3589114; SR-05000001655-1; SR-05000001655-5; W-202861; W-202862; W-203081; W-203168; W-203392; 1,2,4/3,5,6-Cyclohexane-1,2,3,4,5,6-hexol; 7B0CEF84-D9CE-4A88-AA7D-EC50C89387A5; 1D7A27BF-6060-4FA9-AC46-3BD18DBA406E; 220128F1-89BF-442D-AD6D-E6D1EA7BA625; (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexaol; (1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexol; D-MYO-INOSITOL-1,2,5,6-TETRAPHOSPHATE SODIUM SALT; UNII-M94176HJ2F component CDAISMWEOUEBRE-LKPKBOIGSA-N; UNII-M94176HJ2F component CDAISMWEOUEBRE-SHFUYGGZSA-N; (1R,2R,3S,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; Inositol, United States Pharmacopeia (USP) Reference Standard; myo-Inositol, European Pharmacopoeia (EP) Reference Standard; (1R,2R,3S,4S,5S,6R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; 1,2,3,4,5,6-Cyclohexanehexol, (cis,cis,cis,trans,cis,trans)- #; 1,2,3,4,5,6-cyclohexanehexol, (1alpha,2alpha,3alpha,4beta,5alpha,6beta); Inositol, Pharmaceutical Secondary Standard; Certified Reference Material; 2H3; myo-Inositol, BioReagent, suitable for cell culture, suitable for insect cell culture, suitable for plant cell culture; myo-Inositol, PharmaGrade, meets FCC testing specifications, Manufactured under appropriate controls for use as a raw material in pharma or biopharmaceutical production."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8101	.	.	.	.	180.16	C6H12O6	121	104	-3.7	12	6	6	0	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H	C1(C(C(C(C(C1O)O)O)O)O)O	CDAISMWEOUEBRE-UHFFFAOYSA-N
DG50012	Nicotinamide	936	"nicotinamide; niacinamide; 98-92-0; 3-Pyridinecarboxamide; pyridine-3-carboxamide; Nicotinic acid amide; vitamin PP; Papulex; Aminicotin; Amixicotyn; Nicobion; Nicotylamide; Nikotinamid; Savacotyl; Benicot; Dipegyl; Endobion; Hansamid; Pelmine; Nicotinic amide; Delonin amide; Pelonin amide; Vi-Nicotyl; Austrovit PP; Inovitan PP; Vitamin B; Nicosylamide; Nicotilamide; Nicotililamido; Amnicotin; Niacevit; Nicamina; Nicamindon; Nicofort; Nicomidol; Nicotamide; Nicovitina; Nicovitol; Nicozymin; Niocinamide; Niozymin; Niamide; Nicasir; Nicogen; Nicota; Nicotol; Nicovit; Niko-tamin; 3-Carbamoylpyridine; Nicotine acid amide; Nandervit-N; Pyridine-3-carboxylic acid amide; Niavit PP; Nicosan 2; Nicotine amide; beta-Pyridinecarboxamide; Nikotinsaeureamid; Nicotinamidum; Nicotylamidum; Mediatric; Nicotinsaureamid; Pyridine, 3-carbamoyl-; 3-Pyridinecarboxylic acid amide; m-(Aminocarbonyl)pyridine; Acid amide; Factor pp; Nicotinamida; Nicovel; Vitamin B (VAN); Pelmin; Amid kyseliny nikotinove; Witamina PP; PP-Faktor; Amide PP; Nicotinsaureamid [German]; Nikotinsaeureamid [German]; Amid kyseliny nikotinove [Czech]; Nicotinamidum [INN-Latin]; Nicotinamida [INN-Spanish]; NAM; Nictoamide; CCRIS 1901; Dipigyl; HSDB 1237; Vi-noctyl; AI3-02906; NSC 13128; b-Pyridinecarboxamide; Niacinamide [USP]; UNII-25X51I8RD4; 3-(aminocarbonyl)pyridine; MFCD00006395; .beta.-Pyridinecarboxamide; Nicotinamide (Vitamin B3); CHEMBL1140; MLS000069714; CHEBI:17154; 25X51I8RD4; NSC13128; Niacinamide (USP); NSC-13128; NSC-27452; NCGC00093354-03; NCGC00093354-05; SMR000058212; DSSTox_CID_929; Niacinamide;Nicotinic acid amide;Vitamin B3; WLN: T6NJ CVZ; DSSTox_RID_75873; DSSTox_GSID_20929; Niacinamide [USAN]; Enduramide; CAS-98-92-0; B3, Vitamin; Vitamin B 3; B 3, Vitamin; 3 Pyridinecarboxamide; SR-01000721872; Nicotinsaureamid Jenapharm; EINECS 202-713-4; Jenapharm, Nicotinsaureamid; Niacinamid; Niacotinamide; Nicotinamid; nicotin-amide; Nicotinsaeureamid; 3-Amidopyridine; DEA No. 1405; Nicotinamide,(S); Vitamin B3 amide; 3-yridinecarboxamide; Nicotinamide [INN]; Mediatric (Salt/Mix); niacin - Vitamin B3; 1yc5; Opera_ID_775; Niacin (as niacinamide); Niacinamide(Vitamin B3); bmse000281; MolMap_000061; EC 202-713-4; SCHEMBL2926; Nicotinamide (JP17/INN); MLS001424246; Nicotinamide-(amide-[15N]); SCHEMBL6278767; SGCUT00176; ZINC5878; DTXSID2020929; SCHEMBL19978192; BDBM27507; Nicotinamide, niacin, vitamin B3; HMS2052M21; HMS2090B05; HMS2093H03; HMS2236J03; HMS3370F21; HMS3394M21; HMS3655M20; HMS3713B22; HMS3884A16; Pharmakon1600-01505397; BCP07322; HY-B0150; Nicotinamide (Vitamin B3) solution; NSC27452; to_000073; Nicotinamide 1.0 mg/ml in Methanol; Nicotinamide, >=98.5% (HPLC); Nicotinamide, >=99.5% (HPLC); Tox21_111202; Tox21_201716; Tox21_302776; NSC759115; s1899; STL163867; AKOS005715850; Tox21_111202_1; CCG-101149; CS-1968; DB02701; MCULE-3532732201; NC00399; NSC-759115; SB74497; Nicotinamide, >=98% (HPLC), powder; NCGC00093354-04; NCGC00093354-06; NCGC00093354-09; NCGC00256432-01; NCGC00259265-01; AS-13845; BN166252; K774; Nicotinamide, puriss., 99.0-101.0%; SY024804; Nicotinamide 10 microg/mL in Acetonitrile; Nicotinamide, tested according to Ph.Eur.; SBI-0206826.P001; DB-057754; FT-0631517; FT-0672696; FT-0773644; N0078; N1651; SW197779-3; EN300-15612; Niacinamide, meets USP testing specifications; C00153; D00036; J10422; Nicotinamide (Niacinamide), analytical standard; AB00373895-13; AB00373895_15; AB00373895_16; Nicotinamide, Vetec(TM) reagent grade, >=98%; A845925; AC-907/25014114; Q192423; Q-201470; SR-01000721872-3; SR-01000721872-4; SR-01000721872-5; Z33546463; F2173-0513; Niacinamide;Nicotinic acid amide;Vitamin B3; Vitamin PP; Nicotinamide, British Pharmacopoeia (BP) Reference Standard; A186B02E-6C70-4E54-9739-79398D439AAA; Nicotinamide, European Pharmacopoeia (EP) Reference Standard; Niacinamide, United States Pharmacopeia (USP) Reference Standard; Niacinamide, Pharmaceutical Secondary Standard; Certified Reference Material; Nicotinamide, BioReagent, suitable for cell culture, suitable for insect cell culture; Nicotinamide (Vitamin B3) solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13128	.	.	.	.	122.12	C6H6N2O	56	114	-0.4	9	1	2	1	"InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)"	C1=CC(=CN=C1)C(=O)N	DFPAKSUCGFBDDF-UHFFFAOYSA-N
DG50013	Spermidine	1102	"spermidine; 124-20-9; 1,5,10-Triazadecane; 4-Azaoctamethylenediamine; Spermidin; N1-(3-Aminopropyl)butane-1,4-diamine; 4-Azaoctane-1,8-diamine; N-(3-aminopropyl)butane-1,4-diamine; 1,4-Butanediamine, N-(3-aminopropyl)-; 1,8-Diamino-4-azaoctane; N-(3-Aminopropyl)-1,4-butanediamine; N-(3-Aminopropyl)-1,4-diaminobutane; N'-(3-aminopropyl)butane-1,4-diamine; N-(3-Aminopropyl)-1,4-butane-diamine; 1,4-Diaminobutane, N-(3-aminopropyl)-; Vmp7 antigen; UNII-U87FK77H25; BRN 1698591; 1,4-Butanediamine, N1-(3-aminopropyl)-; AI3-26636; gp130 Signal transducer; (4-aminobutyl)(3-aminopropyl)amine; MFCD00008229; N-(4-Aminobutyl)-1,3-diaminopropane; CHEMBL19612; CHEBI:16610; U87FK77H25; 133483-05-3; 133483-10-0; SPD; Spermidine hydrochloride; NSC528399; EINECS 204-689-0; N~1~-(3-azaniumylpropyl)butane-1,4-diaminium; 1pot; Aminopropylbutandiamine; Spectrum_000005; Tocris-0959; Spectrum2_000874; Spectrum3_000977; Spectrum4_001101; Spectrum5_001561; Lopac-S-2501; Biomol-NT_000212; bmse000116; bmse000951; bmse000955; Spermidine 0.1 M solution; Lopac0_001047; SCHEMBL15618; BSPBio_002613; KBioGR_001542; KBioSS_000345; 4-04-00-01300 (Beilstein Handbook Reference); DivK1c_001007; SPBio_000947; Spermidine, >=99% (GC); Spermidine, analytical standard; BPBio1_001276; GTPL2390; DTXSID4036645; KBio1_001007; KBio2_000345; KBio2_002913; KBio2_005481; KBio3_001833; NINDS_001007; HY-B1776; STR06606; ZINC1532612; BDBM50009353; s3569; N-(3-Aminopropyl)-4-aminobutylamine; AKOS006222987; CCG-205124; DB03566; MCULE-8096530192; SDCCGMLS-0066822.P001; SDCCGSBI-0051017.P003; IDI1_001007; N-(3-Aminopropyl)-1,4-diamino-butane; NCGC00015937-01; NCGC00015937-02; NCGC00015937-03; NCGC00015937-04; NCGC00015937-05; NCGC00015937-08; NCGC00024903-01; NCGC00024903-02; NCGC00024903-03; AC-33945; M923; N-(gamma-aminopropyl)tetramethylenediamine; N1-(3-Aminopropyl);butane-1,4-diamine; NCI60_004294; DB-026892; CS-0013804; FT-0629162; C00315; D95527; S-7300; 124S209; A890571; Q418834; Spermidine, suitable for cell culture, BioReagent; N-(2-AMINO-PROPYL)-1,4-DIAMINOBUTANE; PA(34); 732A5665-46DA-4AD4-9009-FA0688CF6398; Spermidine, BioUltra, for molecular biology, >=99.5% (GC); Spermidine, BioReagent, for molecular biology, suitable for cell culture, >=98%; 1122077-27-3; N-(3-Aminopropyl)-1,4-butanediamine; Spermidine N-(3-Aminopropyl)-1,4-butanediamine; 4-azaoctamethylenediamine; N-(3-Aminopropyl)-1,4-diaminobutane~1,8-Diamino-4-azaoctane; N-(3-Aminopropyl)-1,4-butandiamine; SR0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	528399	.	.	.	.	145.25	C7H19N3	64.099	56.8	-1	10	3	3	7	"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2"	C(CCNCCCN)CN	ATHGHQPFGPMSJY-UHFFFAOYSA-N
DG50014	L-Thymidine	1134	"L-Thymidine; 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione; 1-(2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione; 3424-98-4; NSC21548; 1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione; 16053-52-4; .beta.-D-Ribofuranoside, thymine-1 2-deoxy-; 1-(2/'-deoxy-beta-threopentofuranosyl)thymine; SMR000279619; 1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione; Deoxythymidin; NSC-21548; 1-(4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione; 3'-; A-Thymidine; Thymidine ; A-Thymidine; CHEMBL6497; SCHEMBL19895; MLS006011417; MLS006011930; DTXSID20936337; CHEBI:188725; HMS1672M07; HMS3655I15; HMS3741O13; ALBB-021998; BCP11390; BCP22954; BBL001145; MFCD00066756; NSC526738; STK366766; AKOS000656383; AKOS016316039; MCULE-3606109379; NSC-526738; PB32085; SB20806; NCGC00166148-01; DS-14352; NCI60_001800; SY005232; SY029169; AM20100149; FT-0631214; FT-0635303; FT-0674834; FT-0675205; FT-0700740; FT-0772221; FT-0774083; A847929; BRD-A16497681-001-01-1; Thymine, 1-(2-deoxy-.alpha.-D-erythro-pentofuranosyl)-; Z1259192075; 15230A97-46A3-403C-BBF9-1A77960B8DE2; 1-(2-deoxypentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one; 1-(2-Deoxypentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione; 2,3H)-Pyrimidinedione, 1-(2-deoxy-.beta.-D-ribofuranosyl)-5-methyl-; 1-(2-Deoxy-; A-L-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione; 2,3H)-Pyrimidinedione, 1-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-5-methyl-; 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-.alpha.-D-erythro-pentofuranosyl)-5-methyl-; 1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;Telbivudine; 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21548	.	.	.	.	242.23	C10H14N2O5	99.1	381	-1.2	17	3	5	2	"InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)"	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O	IQFYYKKMVGJFEH-UHFFFAOYSA-N
DG50015	DL-Tryptophan	1148	"DL-Tryptophan; 54-12-6; 2-amino-3-(1H-indol-3-yl)propanoic acid; Racemic Tryptophan; DL-Trytophane; DL-Trytophan; (+-)-Tryptophan; H-DL-Trp-OH; DL-3beta-Indolylalanine; DL-tryptophane; NSC 13118; DL-alpha-Amino-3-indolepropionic acid; TRYPTOPHAN, DL-; MFCD00064339; CHEBI:27897; (+/-)-2-Amino-3-(3-indolyl)propionic acid; NSC13119; DL-.alpha.-Amino-3-indolepropionic acid; (+/-)-alpha-Amino-3-indolepropionic acid; DL-Tryptophan, >=99% (HPLC); Tryptophan, DL; 27813-82-7; CCRIS 719; SR-01000597138; EINECS 200-194-9; Htrp; AI3-24395; d,l-tryptophan; NSC-13119; Propionic acid, 2-amino-3-indol-3-yl; DL-2-Amino-3-indolepropionic acid; (+/-)-Tryptophan; beta-3-indolylalanine; DL-3A-Indolylalanine; Spectrum_000087; POLY-L-TRYPTOPHAN; Spectrum2_001102; Spectrum3_001379; Spectrum4_000579; Spectrum5_001310; (.+/-.)-Tryptophan; (r)-(+)l-trp; DSSTox_CID_1418; SCHEMBL7327; DSSTox_RID_76151; NCIOpen2_006535; DSSTox_GSID_21418; BSPBio_002938; KBioGR_001018; KBioSS_000507; SPECTRUM1500600; SPBio_001204; a-amino-3-indolepropionic acid; CHEMBL484901; DTXSID0021418; SCHEMBL19161120; ACon1_001815; KBio2_000507; KBio2_003075; KBio2_005643; KBio3_002158; MIT-461; HMS1648B01; HMS1921I11; HMS2092A20; ALBB-007460; NSC13118; WLN: T56 BMJ D1YZVQ -L; Tox21_202793; BBL004467; CCG-40280; NSC-13118; NSC122286; STK029637; 2-amino-3-(3-indolyl)propionic acid; AKOS000118922; AKOS016038053; CS-W013196; HY-W012480; MCULE-5675773208; NSC-122286; SB14995; SB14996; SB14997; SDCCGMLS-0066645.P001; alpha-amino-beta-3-indolepropionic acid; CAS-54-12-6; NCGC00015994-02; NCGC00015994-03; NCGC00015994-04; NCGC00015994-05; NCGC00015994-06; NCGC00015994-10; NCGC00015994-12; NCGC00094805-01; NCGC00094805-02; NCGC00094805-03; NCGC00094805-04; NCGC00260339-01; AC-24066; AS-11002; BP-12575; K248; NCI60_000685; SY010557; SY011477; SY012692; SBI-0051549.P002; 2-azanyl-3-(1H-indol-3-yl)propanoic acid; beta-(3-indolyl)-alpha-aminopropionic acid; DB-002704; 2-amino-3-(1H-indol-3-yl)-propionic acid; alpha-Amino-beta-(3-indolyl)-propionic acid; AM20060836; DL-Tryptophan, puriss., >=99.0% (NT); FT-0625525; FT-0625625; FT-0627592; FT-0675718; FT-0675719; T0540; (+-)-2-Amino-3-(3-indolyl)propionic Acid; VU0243366-4; C00806; D70570; DL-Tryptophan, Vetec(TM) reagent grade, 98%; T-8310; T-8320; T-8321; AB00052121-04; 064T339; A829974; L023952; J-019428; SR-01000597138-1; SR-01000597138-2; SR-01000597138-3; 5D88F09F-FA0E-488B-BEC6-DDDC859A7A29; BRD-A07106394-001-02-5; Q27103394; Q27115092; Z57248626; F3145-2942"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13119	.	.	.	.	204.22	C11H12N2O2	79.1	245	-1.1	15	3	3	3	"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)"	C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N	QIVBCDIJIAJPQS-UHFFFAOYSA-N
DG50016	Uracil	1174	"uracil; 66-22-8; 2,4-Dihydroxypyrimidine; 2,4(1H,3H)-Pyrimidinedione; 2,4-Pyrimidinediol; pyrimidine-2,4-diol; 2,4-Dioxopyrimidine; pyrimidine-2,4(1H,3H)-dione; Pyrod; Hybar X; 2,4-Pyrimidinedione; Pirod; 1H-Pyrimidine-2,4-dione; 51953-14-1; RU 12709; Ura; Uracil [USAN]; MFCD00006016; CCRIS 3077; Uracyl; Urazil; 2-Hydroxy-4(3H)-pyrimidinone; SQ 6201; SQ 7726; SQ 8493; CHEBI:17568; 1,2,3,4-tetrahydropyrimidine-2,4-dione; BMS 205603-01; AI3-25470; UNII-56HH86ZVCT; NSC 3970; Lamivudine impurity e; 2-Hydroxy-4(1H)-pyrimidinone; Lamivudine impurity e rs; NSC-3970; SQ-6201; SQ-7726; SQ-8493; 56HH86ZVCT; BMS-205603-01; 144104-68-7; 4-Hydroxy-2(1H)-pyrimidinone; Fluorouracil specified compound c; NSC3970; 66255-05-8; NCGC00181030-01; DSSTox_CID_1424; DSSTox_RID_76153; DSSTox_GSID_21424; 4-Hydroxyuracil; CAS-66-22-8; CID 5274267; Uracil (8CI); Uracil [USAN:JAN]; EINECS 200-621-9; 2,4-Pyrimidinediol (9CI); 8h-uracil; hydroxypyrimidinone; 4(3H)-Pyrimidinone, 2-hydroxy-; 2,6-Dioxypyrimidin; Uracil,(S); 2,4-Dioxypyrimidine; 2,4(1H,3H)-Pyrimidinedione (9CI); pyrimidine-2,4-dione; Fluorouracil Impurity C; Uracil, 99%; 1ui0; Uracil (JAN/USAN); 2,3H)-Pyrimidinedione; 4(3H)-Pyrimidinone, 2-hydroxy- (9CI); 2,6-Dihydroxypyrimidine; 2,4- Dihydroxypyrimidine; bmse000187; bmse000940; CHEMBL566; Epitope ID:120356; NCIMech_000782; SCHEMBL8235; Uracil, >=99.0%; MLS001304993; GTPL4560; 2,4-(1h,3h)-pyrimidinedione; DTXSID4021424; 1H-pyrimidine-2,4-dione;Uracil; Uracil, >=99.0% (T); HMS2234E19; HMS3264C13; HMS3373E18; HMS3652N05; Pharmakon1600-01502345; ZINC895045; BCP26546; HY-I0960; NSC29742; Tox21_112680; Tox21_201023; BDBM50549809; CCG-35866; NSC-29742; NSC759649; s4177; STK301734; STL124066; AKOS000119989; AKOS002303991; Tox21_112680_1; AM83913; CCG-213042; CS-W020104; DB03419; MCULE-1147953020; NSC-759649; PS-5279; SB55489; SB55884; NCGC00181030-02; NCGC00247663-01; NCGC00258576-01; Uracil, Vetec(TM) reagent grade, 98%; NCI60_003718; Pyrimidine-2,4(1H,3H)-dione (Uracil); SMR000752912; SY008943; Uracil 1000 microg/mL in Methanol:Water; DB-030518; DB-103964; BB 0242167; FT-0609769; FT-0694063; FT-0695907; FT-0695908; FT-0773727; SW220239-1; U0013; Uracil, suitable for cell culture, BioReagent; C00106; D00027; AB00171810_03; AB00171810_04; AB00918623-05; A835376; AC-907/30002021; Q182990; Z56889474; F1796-0008; E2FC11E5-1887-46DF-B415-82313CE9B2BD; Uracil, United States Pharmacopeia (USP) Reference Standard; Fluorouracil impurity C, European Pharmacopoeia (EP) Reference Standard; Uracil, Pharmaceutical Secondary Standard; Certified Reference Material"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3970	.	.	.	.	112.09	C4H4N2O2	58.2	161	-1.1	8	2	2	0	"InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)"	C1=CNC(=O)NC1=O	ISAKRJDGNUQOIC-UHFFFAOYSA-N
DG50017	Arabinofuranosyluracil	1177	"3083-77-0; ARABINOFURANOSYLURACIL; Uracil 1-beta-D-arabinofuranoside; 1-pentofuranosylpyrimidine-2,4(1H,3H)-dione; Spongouridin; Arabinosyluracil; 40436-51-9; Uracil arabinoside; 26287-69-4; Uracil, 1-.beta.-D-ribofuranosyl-; 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione; NSC20256; MFCD02683606; NSC-20256; 1-(3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione; 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4(1H,3H)-dione; Uridine-5-d; 1-.beta.-D-Ribofuranosyl-2,4(1H,3H)-pyrimidinedione; NCIOpen2_003486; Oprea1_327785; MLS006011814; CHEMBL68846; SCHEMBL2056758; SCHEMBL20987631; 1.beta.-D-Arabinofuranosyluracil; 1-.beta.-D-Arabinofurnosyluracil; CHEBI:143353; Uracil-.beta.-D-arabinofuranoside; HMS3371H19; HMS3655F11; NSC68928; BBL012100; MFCD00443487; NSC-68928; NSC240592; STK042764; 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione; AKOS000493532; AKOS022061523; MCULE-2717136969; NSC-240592; Uracil, 1-.beta.-D-arabinofuranosyl-; NCGC00263514-03; 1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furyl]pyrimidine-2,4(1H,3H)-dione; 4348-61-2; NCI60_001702; NCI60_032162; SMR000677923; SY005419; SY038117; SY116434; SY294272; VS-03200; DB-124994; EU-0068295; FT-0601495; FT-0675742; FT-0774223; FT-0774349; 2,4(1H,3H)-Pyrimidinedione, 1-pentofuranosyl-; L000879; .beta.-D-Ribofuranoside,4(1H,3H)-pyrimidinedione-1; 2,3H)-Pyrimidinedione, 1-.beta.-D-arabinofuranosyl-; 4D6A0DD6-B853-4420-A110-ADA0BAEE9EA7; 1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione; 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione; 1-[(2S,3S,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furyl]pyrimidine-2,4(1H,3H)-dione; 688007-27-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	20256	.	.	.	.	244.2	C9H12N2O6	119	371	-2	17	4	6	2	"InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)"	C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O	DRTQHJPVMGBUCF-UHFFFAOYSA-N
DG50018	"1,10-Phenanthroline"	1318	"1,10-phenanthroline; 66-71-7; o-phenanthroline; Phenanthroline; orthophenanthroline; 4,5-diazaphenanthrene; 1,10-o-phenanthroline; 2-phenanthroline; beta-phenanthroline; 1,10-Phenanthroline anhydrous; phen; 1,10-Fenanthrolin; .beta.-Phenanthroline; [1,10]phenanthroline; 1,10-Phenanthroline, Anhydrous; UNII-W4X6ZO7939; MFCD00011678; MLS000069797; CHEMBL415879; NSC 4265; CHEBI:44975; W4X6ZO7939; NSC203545; NSC4265; SMR000058190; DSSTox_CID_5857; DSSTox_RID_77950; DSSTox_GSID_25857; MLS002701886; CAS-66-71-7; PHN; 1,10-Fenanthrolin [Czech]; Activ-8; NSC-4265; CCRIS 4855; EINECS 200-629-2; NSC 203545; phenantroline; Cyto5A5; 1,10-phenanthrolin; 1,10-phenantroline; 1,10-phenathroline; 1,10 phenanthroline; 1,10-Fenanthroline; 1.10-phenanthroline; 1,1 0-phenanthroline; Opera_ID_711; [1,10]-Phenanthroline; Lopac-P-9375; Activ-8 in hexylene glycol; cid_1318; SCHEMBL8312; NCIStruc1_000192; NCIStruc2_000199; Lopac0_000985; DTXSID1025857; WLN: T B666 CN NNJ; 1,10  CPhenanthroline anhydrous; NCI4265; 1,10-Phenanthroline (anhydrous); 1,10-Phenanthroline, >=99%; HMS2234D03; HMS3263E11; HMS3371F11; ZINC164363; AMY25754; Tox21_201998; Tox21_303111; Tox21_500985; BDBM50092158; CCG-38059; NCGC00013043; s6830; STL069281; AKOS000281773; CS-W004544; DB02365; HY-W004544; LP00985; MCULE-2911225521; NSC-203545; SDCCGSBI-0050958.P003; NCGC00013043-02; NCGC00013043-03; NCGC00013043-04; NCGC00013043-05; NCGC00013043-06; NCGC00013043-07; NCGC00013043-08; NCGC00013043-09; NCGC00013043-10; NCGC00013043-13; NCGC00091201-01; NCGC00091201-02; NCGC00091201-03; NCGC00091201-04; NCGC00257123-01; NCGC00259547-01; NCGC00261670-01; AC-18353; AS-14043; K835; NCI60_003976; P116; DB-013750; EU-0100985; FT-0606035; FT-0660636; P0221; P0879; P1826; Solution forms containing 1,10-phenanthroline; C00604; O10332; P 9375; 011P678; A835532; AA-860/25004133; Q416005; SR-01000076093; CU-00000000156-1; J-610043; SR-01000076093-1; W-104740; F3377-1129; 1,10-Phenanthroline in combination with isoniazid and rifampicin"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4265	.	.	.	.	180.2	C12H8N2	25.8	183	1.8	14	0	2	0	InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H	C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1	DGEZNRSVGBDHLK-UHFFFAOYSA-N
DG50019	"1-Methyl ethyl 1-chloro-5-[[(5,6dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoate"	1385	"UC84; NSC 615985; NSC-615985; 1-methyl ethyl 1-chloro-5-[[(5,6dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoate; 135812-04-3; UC-84; UNII-IJ5WR6SKU5; NSC615985; IJ5WR6SKU5; NCIMech_000416; CHEMBL190729; SCHEMBL9198223; DTXSID70159539; ZINC1492540; CCG-35660; DB08682; 2-Chloro-5-((5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)carbonylamino)benzoic acid 1-methylethyl ester; NCI60_005031; UC4; Q27097871; 1-methylethyl-2-chloro-5-[[5,4-oxathiin-3-yl-carbonyl]-amino]benzoate; 1-Methylethyl 2-chloro-5[[(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoate; isopropyl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate; 1-methylethyl 2-chloro-5-{[(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)carbonyl]amino}benzoate; Benzoic acid, 2-chloro-5-(((5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl)amino)-, 1-methylethyl ester; Benzoic acid, 2-chloro-5[(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)carbonylamino]isopropyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615985	.	.	.	.	355.8	C16H18ClNO4S	89.9	495	3.4	23	1	5	5	"InChI=1S/C16H18ClNO4S/c1-9(2)22-16(20)12-8-11(4-5-13(12)17)18-15(19)14-10(3)21-6-7-23-14/h4-5,8-9H,6-7H2,1-3H3,(H,18,19)"	CC1=C(SCCO1)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C	FMQGUMRNTBJHEA-UHFFFAOYSA-N
DG50020	Edelfosine	1392	"EDELFOSINE; 70641-51-9; 1-O-Octadecyl-2-O-methyl-rac-glycero-3-phosphocholine; ET-18-OMe; ET 18-OCH3; Ro 14-5243; 1-Octadecyl-2-methylglycero-3-phosphorylcholine; rac-1-Octadecyl-2-methoxyglycero-3-phosphocholine; 2-methoxy-3-(octadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate; CHEMBL28509; 1-O-Octadecyl-2-O-methyl-rac-glyceryl-3-phosphorylcholine; Racemic 1-O-octadecyl-2-O-methylglycero-3-phosphocholine; CHEBI:78652; AlP; NSC324368; NSC-324368; NSC-343649; 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide, (+-)-; Choline hydroxide, (+-)-2-methoxy-3-(octadecyloxy)propyl hydrogen phosphate, inner salt; Edelfosine [INN]; Edelfosina; Edelfosinum; ALKYL-LYSOPHOSPHOLIPID; 65492-82-2; Edelfosinum [INN-Latin]; Edelfosina [INN-Spanish]; 1-Octadecyl-2-methylphosphorylcholine; 1-Octadecyl-2-methylglycero-3-phosphocholine; 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine; BRN 4358577; Choline, 1-octadecyl-2-methoxy-3-phosphoryl-; PHOSPHORYLCHOLINE, 1-OCTADECYL-2-METHYL- (ALP); 3,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide; NSC 324368; 2-[hydroxy-(2-methoxy-3-octadecoxy-propoxy)phosphoryl]oxyethyl-trimethyl-ammonium; SCHEMBL52069; ET-18-O Me; DTXSID9045766; Edelfosine, >=95% (HPLC); NIOSH/GA4029000; (+/-)-ET-18-OMe; CMC_9491; (2-methoxy-3-octadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate; BDBM50011796; MFCD00135190; NSC343649; (+/-)-ET-18-OCH3; NSC 343649; Ro-14-5243; DB-082060; FT-0773005; GA40290000; O-0318; rac-1-Octadecyl-2-methoxy-glycerophosphocholine; Q3579094; 1-octadecyl-2-methoxy-rac-glycero-3-phosphocholine(ET-18-OMe); 2-methoxy-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate; {2-[Hydroxy-(2-methoxy-3-octadecyloxy-propoxy)-phosphoryloxy]-ethyl}-trimethyl-ammonium; Choline hydroxide, 2-methoxy-3-(octadecyloxy)propyl hydrogen phosphate, inner salt; Phosphoric acid 2-dimethylamino-ethyl ester 2-methoxy-3-octadecyloxy-propyl ester; ammonium; Phosphoric acid 2-trimethylamino-ethyl ester 2-methoxy-3-octadecyloxy-propyl ester; {2-[Hydroxy-(2-methoxy-3-octadecyloxy-propoxy)-phosphoryloxy]-ethyl}-trimethyl-ammonium(ET-18-OMe); 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-, inner salt, 4-oxide (9CI); 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-, inner salt, 4-oxide, (+/-)-; 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-, hydroxide,inner salt,4-oxide; ethanaminium, 2-[[hydroxy[2-methoxy-3-(octadecyloxy)propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	324368	.	.	.	.	523.7	C27H58NO6P	77	492	7.6	35	0	6	27	"InChI=1S/C27H58NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34-35(29,30)33-24-22-28(2,3)4/h27H,6-26H2,1-5H3"	CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC	MHFRGQHAERHWKZ-UHFFFAOYSA-N
DG50022	5-(6-Amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol	1546	CHEMBL17639; 5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol; NSC105014; 5542-92-7; Leustat; SMR000857123; NSC-105013; NCGC00018167-03; S1199; Cladribine Impurity D; 2-Chloro-9-(2-deoxy-beta-D-arabinofuranosyl)adenine; 2-Chloro-2-deoxyadenosine; cid_1546; NCIOpen2_007300; NCIOpen2_007340; MLS001332517; MLS001332518; SCHEMBL1820786; DTXSID50274315; HMS2230B17; HMS3372K21; HMS3394K13; HMS3654I20; HMS3867N03; BDBM50008366; NSC105013; AKOS015951173; NCGC00018167-04; NCGC00018167-05; LS-13779; NCI60_000122; FT-0602941; AB00642031-06; Q-200869; 5-(6-amino-2-chloro-purin-9-yl)-2-(hydroxy methyl)oxolan-3-ol; 5-(6-Amino-2-chloro-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105014	.	.	.	.	285.69	C10H12ClN5O3	119	338	0.8	19	3	7	2	"InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)"	C1C(C(OC1N2C=NC3=C(N=C(N=C32)Cl)N)CO)O	PTOAARAWEBMLNO-UHFFFAOYSA-N
DG50023	"6-Bromo-3-bromomethyl-3,7-dichloro-7-methyl-1-octene"	1552	"CHEMBL1986244; NSC659554; NSC-659554; NCI60_021005; 6-Bromo-3-bromomethyl-3,7-dichloro-7-methyl-1-octene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659554	.	.	.	.	366.94	C10H16Br2Cl2	0	195	4.8	14	0	0	6	"InChI=1S/C10H16Br2Cl2/c1-4-10(14,7-11)6-5-8(12)9(2,3)13/h4,8H,1,5-7H2,2-3H3"	CC(C)(C(CCC(CBr)(C=C)Cl)Br)Cl	OGRGXGGBTRUIDS-UHFFFAOYSA-N
DG50024	"2-Methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol"	1573	"2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; 2-ME2;NSC-659853; 2-Methoxy-.beta.-estradiol; 2-Methoxy-17alpha-estradiol; NSC659853; 2-methoxy-17-estradiol; Neuro_000385; CHEMBL23576; 2-Methoxyestradiol-[13C,d3]; SCHEMBL13123068; CHEBI:110165; HMS3268G22; AKOS015967320; FT-0612836; 2-Methoxyestra-1(10),2,4-triene-3,17-diol; 2-Methoxyestra-1,3,5(10)-triene-3,17.beta.-diol; BRD-A79248021-001-01-1; Q27189546"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659853	.	.	.	.	302.4	C19H26O3	49.7	425	4	22	2	3	1	"InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3"	CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OC)O	CQOQDQWUFQDJMK-UHFFFAOYSA-N
DG50025	"3,4-Dichloroisocoumarin"	1609	"3,4-dichloroisocoumarin; 51050-59-0; 3,4-Dichloro-1H-isochromen-1-one; 3,4-dichloroisochromen-1-one; 3,4 dichloroisocoumarin; 1H-2-Benzopyran-1-one,3,4-dichloro-; 3,4dichloroisocoumarin; 3,4-DCI; UNII-SD08W1HH6E; SD08W1HH6E; CHEMBL24983; MFCD00036960; 3,4-Dcl; 3,4-Dichloro-1H-2-benzopyran-1-one; 1H-2-Benzopyran-1-one, 3,4-dichloro-; 3,4-Dichloro-2-benzopyran-1-one; Lopac-D-7910; cid_1609; Lopac0_000442; BSPBio_001549; KBioGR_000269; KBioSS_000269; MLS002153325; SCHEMBL106901; 3,4-Dichloro-isochromen-1-one; KBio2_000269; KBio2_002837; KBio2_005405; KBio3_000537; KBio3_000538; DTXSID70199056; CHEBI:109540; Bio2_000269; Bio2_000749; HMS1361N11; HMS1791N11; HMS1989N11; HMS3261I06; HMS3402N11; ZINC388510; Tox21_500442; BDBM50199883; HSCI1_000089; NSC727363; PI-110; AKOS037649173; 3,4-Dichloro-1H-isochromen-1-one #; CCG-204534; DB04459; LP00442; NSC 727363; NSC-727363; SDCCGSBI-0050427.P003; IDI1_034019; QTL1_000002; NCGC00015369-01; NCGC00015369-02; NCGC00015369-03; NCGC00015369-04; NCGC00015369-05; NCGC00015369-06; NCGC00015369-08; NCGC00093859-01; NCGC00093859-02; NCGC00093859-03; NCGC00261127-01; BS-16930; SMR001230738; AM20210045; CS-0090293; EU-0100442; D 7910; D81013; 3,4-Dichloroisocoumarin serine protease inhibitor; 050D590; 3,4-Dichloroisocoumarin, serine protease inhibitor; SR-01000075831; SR-01000075831-1; BRD-K23704908-001-02-4; BRD-K23704908-001-03-2; Q27095241"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727363	.	.	.	.	215.03	C9H4Cl2O2	26.3	273	3.1	13	0	2	0	InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	C1=CC=C2C(=C1)C(=C(OC2=O)Cl)Cl	SUGXUUGGLDCZKB-UHFFFAOYSA-N
DG50026	"2(1H)-Pyridone, 4-amino-1-beta-D-ribofuranosyl-"	1652	"4-amino-1-pentofuranosylpyridin-2(1h)-one; NSC-133115; NCGC_DAC; 2(1H)-Pyridone, 4-amino-1-.beta.-D-ribofuranosyl-; CHEMBL443265; SCHEMBL6676522; 2(1H)-Pyridinone, 4-amino-1-.beta.-D-ribofuranosyl-; SCHEMBL21184966; DTXSID40950999; NSC133115; NCI60_000729; 1-(.beta.-D-Ribofuranosyl)-4-amino-2-pyridone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	133115	.	.	.	.	242.23	C10H14N2O5	116	381	-2.1	17	4	6	2	"InChI=1S/C10H14N2O5/c11-5-1-2-12(7(14)3-5)10-9(16)8(15)6(4-13)17-10/h1-3,6,8-10,13,15-16H,4,11H2"	C1=CN(C(=O)C=C1N)C2C(C(C(O2)CO)O)O	OGADSZTVCUXSOK-UHFFFAOYSA-N
DG50027	3-Methylcholanthrene	1674	"3-methylcholanthrene; 56-49-5; Methylcholanthrene; 20-Methylcholanthrene; 3-MC; 3-MCA; 3-Methyl-1,2-dihydrobenzo[j]aceanthrylene; 20-MC; 3-Methoxycholanthrene; 3-methyl-1,2-dihydrocyclopenta[ij]tetraphene; 3-Methylchloanthrene; Cholanthrene, 3-methyl-; RCRA waste number U157; 1,2-Dihydro-3-methylbenz(j)aceanthrylene; Benz[j]aceanthrylene, 1,2-dihydro-3-methyl-; MC; NSC 21970; UNII-214U33M1RL; CHEBI:34342; Benz(j)aceanthrylene, 1,2-dihydro-3-methyl-; 1,2-dihydro-3-methylbenz[j]aceanthrylene; 214U33M1RL; 3-MeCA; 3-Methylbenz(j)aceanthrene; 3-MCH; 3-Methylcholanthren; 3-Methylcholanthren [German]; CCRIS 386; HSDB 2942; 3-Methylcyclopentabenzophenanthrene; EINECS 200-276-4; RCRA waste no. U157; BRN 1913890; 3-Methyl-I,J-cyclopentabenz(a)anthracene; AI3-50462; Spectrum_001938; Methylcholanthrene;3-MC; DSSTox_CID_862; Spectrum2_001094; Spectrum3_001202; Spectrum4_000915; Spectrum5_001844; Spectrum5_002063; Epitope ID:119713; 3-Methylcholanthrene (MC); 3-Methylcholanthrene, 98%; 3-Methylcholanthrene-(20); DSSTox_RID_75832; BIDD:PXR0170; DSSTox_GSID_20862; BSPBio_002584; KBioGR_001410; KBioSS_002488; 4-05-00-02648 (Beilstein Handbook Reference); BIDD:ER0539; CHEMBL40583; Cholanthrene, 20(3)-methyl; SPBio_001168; DTXSID0020862; KBio2_002481; KBio2_005049; KBio2_007617; KBio3_002084; US9144538, Methylcholanthrene; BDBM181120; BCP26039; NSC21970; ZINC1589655; Tox21_202592; US9138393, Methyl- cholanthrene; 6597AF; CCG-39765; MFCD00003704; NSC-21970; AKOS015842468; CAS-56-49-5; 3-Methylcholanthrene, analytical standard; NCGC00163126-01; NCGC00163126-02; NCGC00163126-03; NCGC00260140-01; AS-82938; Benz[j]aceanthrylene,2-dihydro-3-methyl-; NCI60_001826; {1H,2H-benzo[j]aceanthrylen-3-yl}methane; FT-0616145; FT-0616146; 3-Methyl-1,2-dihydrobenzo[j]aceanthrylene #; F17511; WLN: L E6 D6656 1A T&&&T&J R1; Q223099; BRD-K61463582-001-02-3; 3-Methylcholanthrene solution, 100 mug/mL in acetonitrile, analytical standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21970	.	.	.	.	268.4	C21H16	0	399	6.4	21	0	0	0	"InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3"	CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1	PPQNQXQZIWHJRB-UHFFFAOYSA-N
DG50028	Triferric doxorubicin	1691	"Triferric doxorubicin; NSC169534; Adriblastin; Adriamycin semiquinone; GNF-Pf-2453; 56420-45-2; 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)-; NCI-C01514; FI 106; NSC-169534; 5, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-, mixt. with native calf thymus DNA; NDC 38242-874; ADR (Salt/Mix); Adriamycin Fe3Cl10 H; DOX HCl (Salt/Mix); NSC-123127; NSC-267703; Neuro_000057; Neuro_000121; Adriamycin-DNA hydrochloride; SCHEMBL233853; CHEMBL263733; CHEBI:91872; 3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside; ADM; Adriamycin hydrochloride (Salt/Mix); Doxorubicin hydrochloride (Salt/Mix); FI-106; NSC267703; NSC272332; NSC272707; NSC272708; NSC302662; NSC303830; NSC303831; NSC307242; NSC307243; NSC321796; STK397071; STL484194; AKOS005434002; MCULE-1987806380; NSC-272332; NSC-272707; NSC-272708; NSC-302662; NSC-303830; NSC-303831; NSC-307242; NSC-307243; NSC-321796; FT-0601614; FT-0630692; FT-0656147; BRD-A76941896-001-01-6; BRD-A76941896-003-01-2; BRD-A76941896-003-02-0; Q27163668; (8S,10S)-10-[(3-Amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-8-glycoloyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione; 3,6,11-trihydroxy-3-(hydroxyacetyl)-10-methoxy-5,12-dioxo-1,2,3,4,5,12-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside; 3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 3-amino-2,3,6-trideoxy-L-lyxo-hexopyranoside, (1S,3S)-; 3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-naphthacenyl 3-amino-2,3,6-trideoxyhexopyranoside; 5, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-, polymer with starch 2-hydroxyethyl ether; 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-; 7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; Aluminate(1-), hydrogen, compd. with (8S-cis)-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione (1:1); Cellulose, polymer with (8S-cis)-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione; Dextran,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione; Ferrate (1-),3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione]decachlorotri-, hydrogen, (8S-cis); Ferrate(1-),3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione]decachlorotri-, hydrogen, (8S-cis)-; Nucleic acid, sodium salt, compd. with (8S-cis)-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione hydrochloride; Nucleic acid, sodium salt, compound with (8S-cis)-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione hydrochloride; Starch, polymer with (8S-cis)-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	169534	.	.	.	.	543.5	C27H29NO11	206	977	1.3	39	6	12	5	"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3"	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-UHFFFAOYSA-N
DG50029	"5-(4-Methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-4-ol acetate"	1784	"131403-76-4; 5-(4-Methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-4-ol acetate; NSC661180; [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate; CHEMBL33165; 7-Acetoxy-6,7-dihydro-6-(4-methoxyphenyl)pyrrolo(2,1-d)(1,5)benzothiazepine; 6-Admpb; 6-(4-Methoxyphenyl)benzo[b]pyrrolo[1,2-d][1,4]thiazepin-7-yl acetate; 7-Acetoxy-6-(p-methoxyphenyl)pyrrolo(2,1-d)(1,5)benzothiazepine; DTXSID00157028; ZINC3871084; BDBM50041502; NSC-661180; NCI60_021316; J-005995; 6-(4-Methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl acetate; (E)-6-(4-methoxyphenyl)benzo[b]pyrrolo[1,2-d][1,4]thiazepin-7-yl acetate; Acetic acid 5-(4-methoxy-phenyl)-6-thia-10b-aza-benzo[e]azulen-4-yl ester; Acetic acid [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ester; Pyrrolo(2,1-d)(1,5)benzothiazepin-7-ol, 6-(4-methoxyphenyl)-, acetate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661180	.	.	.	.	363.4	C21H17NO3S	65.8	556	4.1	26	0	4	4	"InChI=1S/C21H17NO3S/c1-14(23)25-20-18-7-5-13-22(18)17-6-3-4-8-19(17)26-21(20)15-9-11-16(24-2)12-10-15/h3-13H,1-2H3"	CC(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3)C4=CC=C(C=C4)OC	NCWRHYSPTPPIQP-UHFFFAOYSA-N
DG50030	"1,3,5-Triazin-2(1H)-one, 4-amino-1-beta-D-ribofuranosyl-"	1805	"Azacytidine, 5-; 5-AZCR; 5 AZC; 5-AC; Azacitidine;5-AzaC;Ladakamycin; NCI-C01569; 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one; CCRIS93; NSC 281272; Kymarabine; 1,3,5-Triazin-2(1H)-one, 4-amino-1-beta-D-ribofuranosyl-; Kymarabine; s-Triazin-2(1H)-one, 4-amino-1-.beta.-D-ribofuranosyl-; 1,3,5-Triazin-2(1H)-one, 4-amino-1-.beta.-D-ribofuranosyl-; Antibiotic U 18496; arabinofuranosyl-5-azacytosine; Vidaza (Pharmion); Ara AC; WR-183027; U 18496; Anitibiotic U 18496; Neuro_000048; Oprea1_630243; CHEMBL301216; SCHEMBL1249475; SCHEMBL20143987; HMS3373H14; HMS3651G19; NSC281272; ZINC01078622; AKOS003382387; MCULE-7974162026; SB18981; NCGC00015046-02; NCGC00015046-03; NCGC00015046-04; NCGC00094964-01; NCGC00094964-02; NCGC00181113-01; NCI60_000078; NCI60_002288; SY023613; 1-.beta.-D-Arabinofuranosyl-5-azacytosine; FT-0601307; AB01273944-01; WLN: T6NVN ENJ DZ A- BT5OTJ CQ DQ E1Q; 4-Amino-1-.beta.-D-ribofuranosyl-s-triazin-2(1H)-one; 1,5-Triazin-2(1H)-one, 4-amino-1-.beta.-D-ribofuranosyl-; 4-Amino-1-.beta.-D-ribofuranosyl-1,3,5-triazin-2(1H)-one; 1,5-Triazin-2(1H)-one, 4-amino-1-.beta.-D- arabinofuranosyl-; 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281272	.	.	.	.	244.2	C8H12N4O5	141	384	-2.2	17	4	5	2	"InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)"	C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N	NMUSYJAQQFHJEW-UHFFFAOYSA-N
DG50031	5-Fluorouracil arabinoside	1821	"5-Fluorouracil arabinoside; MLS002702026; NSC146604; 18814-21-6; 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione; FUrd; WLN: T6NVMVJ EF A-ET5OTJ B1Q CQ DQ; 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidine-2,4-dione; AFU; Neuro_000082; SCHEMBL19901621; SCHEMBL21423048; 77180-80-4; NSC258350; NSC406444; NSC519273; STK682589; AKOS005597041; AKOS015960593; MCULE-1630075535; NSC-146604; NSC-258350; NSC-406444; NSC-519273; SB67392; AC-11749; AC-32304; LS-13623; NCI60_000997; SMR000565155; SY016933; FT-0600892; FT-0692734; FT-0771689; FT-0774790; AMINO-BENZO[B]THIOPHEN-3-YL-ACETICACID; 5-fluoro-4-hydroxy-1-pentofuranosylpyrimidin-2(1H)-one; 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-fluoro-4-hydroxypyrimidin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	146604	.	.	.	.	262.19	C9H11FN2O6	119	414	-1.7	18	4	7	2	"InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)"	C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)F	FHIDNBAQOFJWCA-UHFFFAOYSA-N
DG50032	"7,8-Dihydroxyflavone"	1880	"7,8-dihydroxyflavone; 38183-03-8; 7,8-dihydroxy-2-phenyl-4H-chromen-4-one; 7,8-Dihydroxyflavone hydrate; 7,8-DHF; 4H-1-Benzopyran-4-one, 7,8-dihydroxy-2-phenyl-; 7,8-Dihydroxy-flavone; 7,8-Dihydroxy-2-phenyl-chromen-4-one; 7,8-Dihydroxy-2-phenyl-4-benzopyrone; 7,8-dihydroxy-2-phenylchromen-4-one; UNII-ADB6MA8ZV2; ADB6MA8ZV2; CHEMBL75267; MFCD00006836; 7,8-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one; EINECS 253-812-4; BRN 0234350; 7,8-diOH-Flavone; Spectrum_001087; Spectrum2_000952; Spectrum3_000213; Spectrum4_001823; Spectrum5_000585; 8-DHF; BSPBio_001825; KBioGR_002491; KBioSS_001567; SPECTRUM201315; 5-18-04-00079 (Beilstein Handbook Reference); BIDD:ER0103; DivK1c_000371; SCHEMBL419316; SPBio_000944; MEGxp0_001683; 7,8-dihydroxy-2-phenylchromone; HMS501C13; KBio1_000371; KBio2_001567; KBio2_004135; KBio2_006703; KBio3_001325; ZINC57657; DTXSID00191568; CHEBI:140464; NINDS_000371; HMS1923A03; HMS3263G12; HMS3743I05; HMS3886D10; BCP14497; Tox21_501075; BDBM50093539; CCG-39038; DHF, 7,8-; NSC750341; s8319; AKOS015856571; CS-W014088; HY-W013372; MCULE-2541416717; NSC 750341; NSC-750341; SDCCGMLS-0066465.P001; IDI1_000371; NCGC00095217-01; NCGC00095217-02; NCGC00095217-03; NCGC00095217-12; NCGC00178976-01; NCGC00261760-01; AC-23011; DS-16246; DB-049244; D1916; FT-0639436; 7,8-Dihydroxyflavone hydrate, >=98% (HPLC); C74948; 4H-1-Benzopyran-4-one,7,8-dihydroxy-2-phenyl-; A824039; SR-05000002499; SR-05000002499-1; BRD-K49535716-001-02-4; BRD-K49535716-001-03-2; Q19596931; 2(1H)-Pentalenone, 4,5,6,6a-tetrahydro-1,3-dimethyl-; 7,8-dihydroxy-2-phenyl-chromen-4-one;7,8-Dihydroxyflavone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750341	.	.	.	.	254.24	C15H10O4	66.8	384	3.3	19	2	4	1	"InChI=1S/C15H10O4/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9/h1-8,16,18H"	C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3)O)O	COCYGNDCWFKTMF-UHFFFAOYSA-N
DG50033	8-Hydroxyquinoline	1923	"8-HYDROXYQUINOLINE; quinolin-8-ol; 8-quinolinol; 148-24-3; Oxyquinoline; Oxine; Quinophenol; Oxychinolin; 8-Quinol; 8-Oxyquinoline; Phenopyridine; 8-Hydroxychinolin; Bioquin; Oxybenzopyridine; Hydroxybenzopyridine; Oxin; 1-Azanaphthalene-8-ol; Tumex; 8-Chinolinol; 8-OQ; 8-Hydroxy-chinolin; Fennosan H 30; 8-Oxychinolin; Fennosan; o-Oxychinolin; Usaf ek-794; 8-hydroxy-quinoline; NCI-C55298; NSC 2039; Oxyquinoline [USAN]; MFCD00006807; Oxoquinoline; Albisal; NSC 615011; UNII-5UTX5635HP; NSC285166; 8-Quinolinol, homopolymer; MLS002702126; 5UTX5635HP; CHEMBL310555; CHEBI:48981; NSC 82408; quinoline-8-ol; NSC-2039; NSC 82404; NSC615011; NSC-285166; NSC-402623; NSC-615011; Oxyquinoline (USAN); NCGC00090708-03; NCGC00090708-05; Oxyquinol; DSSTox_CID_730; DSSTox_RID_75758; WLN: T66 BNJ JQ; DSSTox_GSID_20730; Oxine;8-Hydroxyquinoline;Quinophenol;8-Quinolinone; Fennosan HF-15; Caswell No. 719; Oxyquinoline (8-Hydroxyquinoline); 8-Chinolinol [Czech]; o-Oxychinolin [German]; Quinoline, 8-hydroxy-; 84063-18-3; CAS-148-24-3; SMR000112313; 8-Hydroxy-chinolin [German]; CCRIS 340; 8-hydroxy quinoline; NSC-48037; NSC-54230; NSC-82404; NSC-82405; NSC-82409; NSC-82410; NSC-82412; HSDB 4073; EINECS 205-711-1; EPA Pesticide Chemical Code 059803; BRN 0114512; Oxychinoline; AI3-00483; 8-Oxyquinolin; 8-Quinolinone; 8-Quinolol; 8-hydroxiquinoline; 8-hydroxychinoline; 8-hydroxylquinoline; HQY; 8-Quinolinol, p.a.; Spectrum_001053; 3vh9; 8-Hydroxyquinoline Oxine; Spectrum2_000697; Spectrum3_000534; Spectrum4_000465; Spectrum5_001280; 8-Hydroxyquinoline, 99%; EC 205-711-1; NCIMech_000694; cid_1923; NCIStruc1_000152; NCIStruc2_000240; NCIOpen2_000962; NCIOpen2_001020; NCIOpen2_001220; NCIOpen2_004264; SCHEMBL37189; BSPBio_002147; KBioGR_000910; KBioSS_001533; 5-21-03-00252 (Beilstein Handbook Reference); MLS001055492; BIDD:ER0371; DivK1c_000757; SPBio_000853; 8-Hydroxyquinoline, crystalline; ZINC8492; DTXSID5020730; BDBM32203; HMS502F19; KBio1_000757; KBio2_001533; KBio2_004101; KBio2_006669; KBio3_001647; NSC2039; NINDS_000757; 8-Quinolinol (7CI,8CI,9CI); ACT08881; HY-B1005; STR00721; Tox21_113083; Tox21_202986; Tox21_400006; 8-Oxychinolin, 8-Quinolinol, Oxine; CCG-35870; NSC 48037; NSC 54230; NSC 82405; NSC 82409; NSC 82410; NSC 82412; NSC402623; s4547; STK943764; 8-Hydroxyquinoline ACS Reagent Grade; AKOS001061311; AC-5109; CS-4502; DB11145; J2.960B; MCULE-7753869266; NSC 285166; NSC 402623; PS-4553; SB40773; 8-Hydroxyquinoline, ACS reagent, 99%; IDI1_000757; NCGC00090708-01; NCGC00090708-02; NCGC00090708-04; NCGC00090708-06; NCGC00090708-07; NCGC00090708-08; NCGC00090708-11; NCGC00260531-01; NCI60_001712; NCI60_002335; 8-HYDROXYQUINOLINE ACS GRADE 100G; SBI-0051472.P003; DB-012222; AM20050821; FT-0621550; H0305; 8-Quinolinol, JIS special grade, >=99.0%; 8-Quinolinol, Vetec(TM) reagent grade, 99%; EN300-17403; C19434; D05321; P17615; US9394254, 6; 8-Quinolinol, PESTANAL(R), analytical standard; AB00052065_08; 8-Quinolinol, >=99% (perchloric acid titration); A808745; AP-065/40180076; Q270162; CU-01000012874-2; W-108106; BRD-K66808046-065-01-1; Z56926518; F0001-0526; 8-Quinolinol, puriss. p.a., ACS reagent, for the detection and determination of Al, Mg and others, >=99.0% (NT); 8-Quinolinol, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99% (perchloric acid titration)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2039	.	.	.	.	145.16	C9H7NO	33.1	138	2	11	1	2	0	"InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H"	C1=CC2=C(C(=C1)O)N=CC=C2	MCJGNVYPOGVAJF-UHFFFAOYSA-N
DG50034	NSC527017	1972	"1397-89-3; MLS002702966; SMR001566780; NSC527017; cid_1972; CHEMBL1700818; SCHEMBL17976509; BDBM83198; MCULE-9034353559; FT-0602850; 33-((3-amino-3,6-dideoxyhexopyranosyl)oxy)-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid; 33-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	527017	.	.	.	.	924.1	C47H73NO17	320	1670	0	65	12	18	3	"InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)"	CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O	APKFDSVGJQXUKY-UHFFFAOYSA-N
DG50035	Aceclidine	1979	"aceclidine; Quinuclidin-3-yl acetate; 827-61-2; 3-Acetoxyquinuclidine; Glaucostat; Aceclidinum; 3-Quinuclidinol acetate (ester); 1-azabicyclo[2.2.2]octan-3-yl acetate; 3-quinuclidinyl acetate; 3-Quinuclidinol, acetate (ester); 1-Azabicyclo(2.2.2)octan-3-ol, acetate (ester); NSC657843; NSC 657843; NSC-657843; CHEMBL20835; 1-Azabicyclo(2.2.2)octan-3-ol, acetate; 1-Azabicyclo[2.2.2]octan-3-ol, acetate (ester); MFCD00468105; NSC-758239; NCGC00024733-02; 3-Quinuclidinol acetate; Aceclidina; Aceclidine [USAN:INN]; Aceclidinum [INN-Latin]; Aceclidina [INN-Spanish]; 1-Azabicyclo[2.2.2]octan-3-ol, acetate; EINECS 212-574-1; AL 304; Glaucostat (TN); aceclidine,R(-); aceclidine,S(+); Spectrum_001338; 3-Quinuclidinol, acetate; Aceclidine (USAN/INN); Spectrum2_001235; Spectrum3_001446; Spectrum4_000421; Spectrum5_001301; (RS)-3-acetoxyquinuclidine; DSSTox_CID_25658; DSSTox_RID_81035; (+) 3-acetoxy quinuclidine; DSSTox_GSID_45658; BSPBio_002911; KBioGR_000742; KBioSS_001818; (RS) 3-acetoxy quinuclidine; DivK1c_000180; SCHEMBL121393; SPBio_001110; DTXSID2045658; CHEBI:93847; KBio1_000180; KBio2_001818; KBio2_004386; KBio2_006954; KBio3_002411; NINDS_000180; HMS3264B20; Pharmakon1600-01501124; acetic acid quinuclidin-3-yl ester; CS-B0278; Tox21_110921; 2787AC; BDBM50034625; NSC758239; STL430459; AKOS006281409; ACN-052914; CCG-212926; DB13262; DS-5025; MCULE-4689367855; 1-Azabicyclo[2.2.2]oct-3-yl acetate; IDI1_000180; 3-quinuclidinol dl-form acetate (ester); NCGC00024733-03; NCGC00024733-04; CAS-827-61-2; HY-32067; NCI60_020173; NCI60_020184; SY111901; 1-Azabicyclo[2.2.2]oct-3-yl acetate #; FT-0607358; D02750; AB00053601_02; AB00053601_03; 827A612; A840430; Acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester; acetic acid 1-azabicyclo[2.2.2]octan-3-yl ester; L023942; Q2362603; BRD-A32673558-001-01-7; BRD-A32673558-003-02-1; BRD-A80567352-003-01-6; Acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester(aceclidine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657843	.	.	.	.	169.22	C9H15NO2	29.5	185	0.7	12	0	3	2	"InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3"	CC(=O)OC1CN2CCC1CC2	WRJPSSPFHGNBMG-UHFFFAOYSA-N
DG50036	"3,6-Diamino-10-methylacridinium"	2016	"3,6-Diamino-10-methylacridinium; 837-73-0; acriflavinium; 3,6-Diamino-10-methylacridine; 10-methylacridin-10-ium-3,6-diamine; Acriflavon; Neutroflavine; Xanthacridine; Flavine; Panflavin; CHEBI:60585; AB00053810_11; MLS002207307; NSC2755; SMR001306812; BRN 3553796; ACRIDINIUM, 3,6-DIAMINO-10-METHYL-; Spectrum_000752; Spectrum2_000066; Spectrum3_000598; Spectrum4_000385; Spectrum5_001306; 3,6-DIAMINO-10-METHYLACRIDIN-10-IUM; cid_2016; BSPBio_002076; KBioGR_000909; KBioSS_001232; 5-22-11-00323 (Beilstein Handbook Reference); DivK1c_000244; SCHEMBL278580; SPBio_000251; CHEMBL1184529; KBio1_000244; KBio2_001232; KBio2_003800; KBio2_006368; KBio3_001576; XSIOKTWDEOJMGG-UHFFFAOYSA-; DTXSID30232534; cid_15558347; NINDS_000244; BDBM114204; BDBM200233; ZINC3775641; MCULE-1232748587; IDI1_000244; NCGC00178831-01; 10-methyl-3,6-diaminoacridinium chloride; SBI-0051559.P002; 10-methylacridin-10-ium-3,6-diamine chloride; Q27128060; (6-amino-10-methyl-acridin-10-ium-3-yl)amine;chloride;hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2755	.	.	.	.	224.28	C14H14N3+	55.9	255	2.3	17	2	2	0	"InChI=1S/C14H13N3/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17/h2-8H,1H3,(H3,15,16)/p+1"	C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N	XSIOKTWDEOJMGG-UHFFFAOYSA-O
DG50037	"Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester"	2064	"140674-76-6; ag957; Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester; Tyrphostin AG957; methyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate; AG 957; MLS002701581; NSC654705; SMR001565182; Methyl 4-((2,5-dihydroxybenzyl)amino)benzoate; Methyl 4-{[(2,5-dihydroxyphenyl)methyl]amino}benzoate; 4-[(2,5-dihydroxyphenyl)methylamino]benzoic acid methyl ester; NCIMech_000518; cid_2064; SCHEMBL5794016; CHEMBL1721939; BDBM80751; CHEBI:92645; DTXSID70274352; ZINC1634412; AG-957; CCG-35974; CCG-36396; HSCI1_000164; AKOS024256541; NSC-654705; AS-72165; NCI60_018914; HY-117718; CS-0067002; methyl 4-(2,5-dihydroxybenzylamino)benzoate; J-007416; BRD-K36737713-001-01-6; Q27164356; 4-[(2,5-dihydroxybenzyl)amino]benzoic acid methyl ester; methyl 4-[[2,5-bis(oxidanyl)phenyl]methylamino]benzoate; Benzoic acid,5-dihydroxyphenyl)methyl]amino]-, methyl ester; Benzoic acid,4-[[(2,5-dihydroxyphenyl)methyl]amino]-,methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654705	.	.	.	.	273.28	C15H15NO4	78.8	315	2.5	20	3	5	5	"InChI=1S/C15H15NO4/c1-20-15(19)10-2-4-12(5-3-10)16-9-11-8-13(17)6-7-14(11)18/h2-8,16-18H,9H2,1H3"	COC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O	QSFREBZMBNRGOK-UHFFFAOYSA-N
DG50039	Ametantrone	2134	"Ametantrone; 64862-96-0; NSC-196473; Ametantrone(NSC 196473); UNII-PNT6041ST1; 1,4-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)anthracene-9,10-dione; PNT6041ST1; 1,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione; NSC 287513; NSC196473; 1,4-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)-9,10-anthracenedione; 9,10-Anthracenedione, 1,4-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-; NSC 196473; NSC 290813; Ametantrone [INN]; Ametantrona; Ametantronum; 1,4-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione; Ametantronum [INN-Latin]; Ametantrona [INN-Spanish]; CI-881; BRN 2791800; ametantrone diacetate; Anthracenedione deriv.; 1,4-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)anthraquinone; 1,4-Bis(2-((2-hydroxyethyl)amino)ethylamino)-9,10-anthracenedione; 9,10-Anthracenedione,1,4-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-; NSC 196473;Ametantrone; CHEMBL49442; SCHEMBL3344151; DTXSID60215153; EX-A368; CI881; Anthraquinone, 1,4-bis((2-((2-hydroxyethyl)amino)ethyl)amino)-; BCP09323; ZINC3871513; BDBM50520631; MFCD00723741; AKOS028108437; AS-49556; HY-13550; QC-11442; CS-0007147; I11677; Q27286653; 9, 1,4-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-; 1,4-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione; 1,4-Bis[[2-[(2-hydroxyethyl)amino]ethyl]imino]-1,4-dihydroanthracene-9,10-diol; 9,10-Anthracenedione, 1,4-bis((2-(2-(hydroxyethyl)amino)ethyl)amino)- (9CI); AKE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	196473	.	.	.	.	412.5	C22H28N4O4	123	513	1.7	30	6	8	12	"InChI=1S/C22H28N4O4/c27-13-11-23-7-9-25-17-5-6-18(26-10-8-24-12-14-28)20-19(17)21(29)15-3-1-2-4-16(15)22(20)30/h1-6,23-28H,7-14H2"	C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNCCO)NCCNCCO	FFGSXKJJVBXWCY-UHFFFAOYSA-N
DG50040	Aminopterine	2154	"54-62-6; Pteramina; Aminopterine; 4-Aminofolic acid; APGA; 2-(4-((2,4-DIAMINOPTERIDIN-6-YL)METHYLAMINO)-BENZAMIDO)PENTANEDIOIC ACID; 4-Amino-4-deoxypteroylglutamate; Folic acid, 4-amino-; N-[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}phenyl)carbonyl]glutamic acid; N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]amino]benzoyl]glutamic acid; 4-Aminopteroyl-glutamic acid; 1236566-87-2; Aminofolic acid, 4-; Aminopterin dihydrate; SR-01000075636; NSC739; 4-Aminofolate; C19H20N8O5; NCGC00015038-03; 4-Aminopteroylglutamate; Spectrum_001874; SpecPlus_000899; Spectrum2_000893; Spectrum3_001386; Spectrum4_000917; Spectrum5_000931; A 1784; SCHEMBL8887; Lopac0_000034; BSPBio_002972; KBioGR_001414; KBioSS_002396; MLS002153337; DivK1c_006995; SPECTRUM1500679; SPBio_000706; CHEMBL274619; SCHEMBL8161477; KBio1_001939; KBio2_002391; KBio2_004959; KBio2_007527; KBio3_002192; DTXSID10858993; HMS1921C08; HMS3260G09; Pharmakon1600-01500679; Tox21_500034; CCG-39745; NSC757427; STL477234; AKOS015854984; LP00034; NSC-757427; SB17355; SDCCGSBI-0050023.P004; NCGC00015038-02; NCGC00015038-04; NCGC00015038-05; NCGC00015038-06; NCGC00015038-07; NCGC00015038-08; NCGC00015038-09; NCGC00015038-10; NCGC00015038-12; NCGC00093553-01; NCGC00093553-02; NCGC00093553-03; NCGC00093553-04; NCGC00093553-05; NCGC00093553-06; NCGC00260719-01; AS-75721; SMR001230749; SBI-0050023.P003; DB-052619; EU-0100034; FT-0622297; Z3082; AB00053283_04; SR-01000075636-1; SR-01000075636-5; WLN: T66 BN DN GN JNJ CZ EZ H1MR DVMYVQ2VQ; L-Glutamic acid,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-,; Glutamic acid,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, L-; L-N-[p-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-Glutamic acid; 2-[[4-[[(2,4-Diaminopteridine-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	739	.	.	.	.	440.4	C19H20N8O5	219	674	-2	32	6	12	9	"InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)"	C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N	TVZGACDUOSZQKY-UHFFFAOYSA-N
DG50042	Aristolochic acid	2236	"Aristolochic acid; Aristolochic acid A; 313-67-7; Aristolochic acid I; Aristolochin; Tardolyt; Aristolochic acid-I; ARISTOLOCHINE; TR 1736; 8-Methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid; C17H11NO7; NSC11926; NSC-50413; UNII-94218WFP5T; NSC50413; Birthwort; 3,4-Methylenedioxy-8-methoxy-10-nitro-1-phenanthrenecarboxylic acid; 8-Methoxy-3,4-methylenedioxy-10-nitrophenanthrene-1-carboxylic acid; 8-Methoxy-6-nitrophenanthol (3,4-d) 1,3-dioxole-5-carboxylic acid; CHEMBL93353; MLS002702976; CHEBI:2825; Aristolochic acid I;TR 1736; 94218WFP5T; Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-; MFCD00004996; 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid; Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-; Aristolochiazaeure; 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid; 8-METHOXY-6-NITROPHENANTHROL(3,4-D)-1,3-DIOXIDE-5-CARBOXYLIC ACID; SMR001562128; Aristolochic acid 1; CCRIS 1544; SR-05000002369; EINECS 206-238-3; NSC 11926; NSC 50413; BRN 0345159; Phenanthro[3,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-; aris-tolochic acid; Aristolochic-acid-A; Spectrum_001156; SpecPlus_000448; 8-Methoxy-3,4-methylendioxxy-10-nitro-1-phenanthrencarbonsaeure; Spectrum2_000822; Spectrum3_001114; Spectrum4_001952; Spectrum5_000729; Aristolochic acid A,(S); ZINC52; NCIMech_000812; Aristolochic acid I, powder; BSPBio_001440; BSPBio_002848; KBioGR_000160; KBioGR_002387; KBioSS_000160; KBioSS_001636; MLS002695974; DivK1c_006544; SCHEMBL166284; SPECTRUM1502233; SPBio_000743; DTXSID0040969; KBio1_001488; KBio2_000160; KBio2_001636; KBio2_002728; KBio2_004204; KBio2_005296; KBio2_006772; KBio3_000319; KBio3_000320; KBio3_002068; Bio1_000418; Bio1_000907; Bio1_001396; Bio2_000160; Bio2_000640; HMS1361H22; HMS1791H22; HMS1989H22; HMS3402H22; HY-N0510; TNP00273; 8-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid; BDBM50306855; CCG-35796; CCG-36162; NSC-11926; s9193; AKOS015896751; MCULE-3861334509; IDI1_033910; NCGC00017334-01; NCGC00017334-02; NCGC00017334-03; NCGC00017334-04; NCGC00017334-05; NCGC00017334-06; NCGC00017334-07; NCGC00095981-01; NCGC00095981-02; NCGC00095981-03; NCGC00095981-04; NCGC00095981-05; AC-34489; BS-16911; NCI60_000460; XA167153; DB-048017; CS-0009050; FT-0602867; N2032; X1086; C08469; 313A677; Q-100394; SR-05000002369-2; SR-05000002369-3; Q21099362; Aristolochia, European Pharmacopoeia (EP) Reference Standard; 8-Methoxy-6-nitro-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid; Aristolochic acid I, European Pharmacopoeia (EP) Reference Standard; 8-Methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid #; Phenanthro[3,4-d]-1,3-dioxole-5-carbocylic acid, 8-methoxy-6-nitro-; GOQ"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11926	.	.	.	.	341.27	C17H11NO7	111	550	3.6	25	1	7	2	"InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)"	COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O	BBFQZRXNYIEMAW-UHFFFAOYSA-N
DG50043	"3,6,9-trimethyloctahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one"	2240	"63968-64-9; Artemisinine; GNF-PF-5671; (+)-Arteannuin; SR-01000783029; TNP00107; NSC369397; NSC-369397; 3,6,9-trimethyloctahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one; MLS001195096; CHEMBL345083; SCHEMBL8011257; HMS1607A03; HMS2864N18; AKOS001483011; MCULE-8507299188; NCGC00017227-02; NCGC00142461-01; SMR000554414; SY057423; FT-0602875; FT-0662295; FT-0662296; SR-01000783029-3; SR-01000783029-5; 1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadecan-10-one; 11,14,15,16-Tetraoxatetracyclo[10.3.1.0(4,13).0(8,13)]hexadecan-10-one, 1,5,9-trimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	369397	.	.	.	.	282.33	C15H22O5	54	452	2.8	20	0	5	0	"InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3"	CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C	BLUAFEHZUWYNDE-UHFFFAOYSA-N
DG50045	beta-Amanitin	2276	"BETA-AMANITIN; 21150-22-1; 2-[34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetic acid; .beta.-Amanitin; SCHEMBL3505949; CHEMBL1978871; NSC627727; NSC-627727; NCI60_008881; J-013881; beta-Amanitin from Amanita phalloides, ~90% (HPLC)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627727	.	.	.	.	920	C39H53N9O15S	394	1840	-3.8	64	13	16	7	"InChI=1S/C39H53N9O15S/c1-4-16(2)31-36(60)41-11-28(53)42-25-15-64(63)38-21(20-6-5-18(50)7-22(20)45-38)9-23(33(57)40-12-29(54)46-31)43-37(61)32(17(3)27(52)14-49)47-35(59)26-8-19(51)13-48(26)39(62)24(10-30(55)56)44-34(25)58/h5-7,16-17,19,23-27,31-32,45,49-52H,4,8-15H2,1-3H3,(H,40,57)(H,41,60)(H,42,53)(H,43,61)(H,44,58)(H,46,54)(H,47,59)(H,55,56)"	CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)O)O)C(C)C(CO)O)C5=C(N3)C=C(C=C5)O	IEQCUEXVAPAFMQ-UHFFFAOYSA-N
DG50046	Benzethonium	2335	"benzethonium; Sanizol; UNII-1VU15B70BP; 10172-60-8; 1VU15B70BP; 498-77-1; benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium; CHEMBL221753; benzyl-dimethyl-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium; NSC20200; Benzethonium (parent); NCGC00016373-03; CAS-121-54-0; Benzothonium; Benzethonium ion; BztCl; N-benzyl-N,N-dimethyl-2-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethanaminium; N-benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium; Benzethonium cation; Spectrum_000072; benzethonium hydrochloride; Prestwick0_000708; Prestwick1_000708; Prestwick2_000708; Prestwick3_000708; Spectrum2_000134; Spectrum3_000313; Spectrum4_000248; Spectrum5_000858; cid_8478; BSPBio_000895; BSPBio_001906; KBioGR_000656; KBioSS_000472; DivK1c_000775; SCHEMBL122985; SPBio_000208; SPBio_002816; BPBio1_000985; CHEMBL1182210; DTXSID5046984; CHEBI:94725; KBio1_000775; KBio2_000472; KBio2_003040; KBio2_005608; KBio3_001406; NINDS_000775; ZINC1571009; BDBM50203812; STL256857; AKOS022098568; DB11125; MCULE-7555832890; Ammonium, benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-; Benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium; IDI1_000775; QTL1_000012; NCGC00016373-01; NCGC00016373-02; NCGC00016373-04; NCGC00016373-05; NCGC00016373-07; NCGC00016373-09; Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl); NCI60_001693; SBI-0051292.P003; AB00053793; Benzethonium hydroxide solution 1M in methanol; A19421; AB00053793_12; AB00053793_13; BRD-K72723676-003-10-3; Q27166518; 2-(2-(4-diisobutylphenoxy)ethoxy)ethyl)dimethylbenzylammoniumchloride; dimethyl-(phenylmethyl)-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]ammonium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	20200	.	.	.	.	412.6	C27H42NO2+	18.5	466	6.7	30	0	2	12	"InChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1"	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2	SIYLLGKDQZGJHK-UHFFFAOYSA-N
DG50048	Benzyl isothiocyanate	2346	"benzyl isothiocyanate; 622-78-6; Benzylisothiocyanate; (Isothiocyanatomethyl)benzene; Benzyl mustard oil; Benzylsenfoel; Tromacaps; Tromalyt; Urogran; Benzene, (isothiocyanatomethyl)-; Benzyl-isothiocyanate; Isothiocyanic acid, benzyl ester; isothiocyanatomethylbenzene; Isothiocyanic Acid Benzyl Ester; BITC; Benzylsenfoel [German]; AB 2 (VAN); alpha-isothiocyanatotoluene; Isothiocyanotaomethylbenzene; isothiocyanatomethyl-benzene; UNII-871J6YOR8Q; NSC 118976; MFCD00004819; (isothiocyanatomethyl)-benzene; CHEMBL55285; 871J6YOR8Q; AB 2; CHEBI:17484; Toluene, .alpha.-isothiocyanato-; NSC118976; Benzylsenfoel (german); PMITC cpd; Toluene, alpha-isothiocyanato-; CCRIS 3145; SR-05000002381; EINECS 210-753-9; phenylmethyl isothiocyanate; BRN 0386135; Tromocaps; AI3-02736; Benzyl isothio cyanate; Spectrum_001820; SpecPlus_000684; Tromalyt active substance; DSSTox_CID_155; Spectrum2_000852; Spectrum3_000793; Spectrum4_001059; Spectrum5_001837; WLN: SCN1R; NCIMech_000859; alpha-Isothiocyanato-Toluene; Benzyl Isothiocyanate-[d7]; isothiocyanato-methyl-benzene; Benzyl isothiocyanate, 98%; DSSTox_RID_75407; DSSTox_GSID_20155; SCHEMBL44145; BSPBio_002526; KBioGR_001358; KBioSS_002323; 4-12-00-02276 (Beilstein Handbook Reference); DivK1c_006780; SPECTRUM1503006; SPBio_000863; (Isothiocyanatomethyl)benzene #; 1-(isothiocyanatomethyl)benzene; BITC, 17; Toluene, alpha -isothiocyanato-; DTXSID0020155; FEMA 4428; KBio1_001724; KBio2_002321; KBio2_004889; KBio2_007457; KBio3_001746; TIMTEC-BB SBB002731; AKOS JY2090023; Benzyl isothiocyanate, 98%, FG; OTAVA-BB 1055640; HMS1921P18; Pharmakon1600-01503006; (Isothiocyanatomethyl)benzene, 9CI; ZINC1529592; AKOS BBS-00004442; Tox21_201191; BBL013129; BDBM50240520; CCG-35868; NSC758206; s4783; STK399787; AKOS000212138; AS04379; LS11773; MCULE-5989558191; NSC-118976; NSC-758206; SDCCGMLS-0066697.P001; QTL1_000013; NCGC00094982-01; NCGC00094982-02; NCGC00094982-03; NCGC00094982-04; NCGC00258743-01; Benzyl isothiocyanate, analytical standard; BP-12924; CAS-622-78-6; HY-77813; NCI60_000455; PS-10308; SBI-0052749.P002; DB-022613; CS-0006958; FT-0622167; I0224; C03098; F16583; AB00053249_03; A833692; J-650076; SR-05000002381-1; SR-05000002381-2; Q18341725; F0001-1663"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118976	.	.	.	.	149.21	C8H7NS	44.4	132	3.2	10	0	2	2	"InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2"	C1=CC=C(C=C1)CN=C=S	MDKCFLQDBWCQCV-UHFFFAOYSA-N
DG50049	Betnesol	2367	"Betnesol; Linolosal; Linosal; Celestone Phosphate; NSC90616; .beta.-Methasonephosphate; CHEMBL2008531; 9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate; [2-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] dihydrogen phosphate; NCI60_042010; FT-0666306; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, sodium salt (1:2), (11.beta.,16.alpha.)-; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-,disodium salt, (11.beta.,16.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90616	.	.	.	.	472.4	C22H30FO8P	141	973	0.1	32	4	9	4	"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)"	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)(O)O)O)C)O)F)C	VQODGRNSFPNSQE-UHFFFAOYSA-N
DG50050	Bisacodyl	2391	"bisacodyl; 603-50-9; Dulcolax; Brocalax; Bicol; Durolax; Fenilaxan; Sanvacual; Dulcolan; Endokolat; Hillcolax; Stadalax; Theralax; Eulaxan; Godalax; Ivilax; Laxadin; Laxans; Laxine; Laxorex; Neolax; Nigalax; Pyrilax; Telemin; Zetrax; Sk-bisacodyl; Laxanin N; LACO; LA96a; Phenol, 4,4'-(2-pyridinylmethylene)bis-, diacetate (ester); (Pyridin-2-ylmethylene)bis(4,1-phenylene) diacetate; Evac-Q-Tabs; Bis(p-acetoxyphenyl)-2-pyridylmethane; Di-(p-acetoxyphenyl)-2-pyridylmethane; Di-(4-acetoxyphenyl)-2-pyridylmethane; MLS000069729; UNII-10X0709Y6I; 2-(4,4'-Diacetoxydiphenylmethyl)pyridine; (4,4'-Diacetoxydiphenyl)(2-pyridyl)methane; 4,4'-(2-Pyridylmethylene)diphenol diacetate; [4-[(4-acetyloxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate; 4,4'-(2-Pyridylmethylene)diphenol diacetate (ester); 4,4'-Diacetoxydiphenylpyridyl-2-methane; SMR000058226; MLS002701749; Phenol, 4,4'-(2-pyridylmethylene)di-, diacetate (ester); Phenol, 4,4'-(2-pyridinylmethylene)bis-, 1,1'-diacetate; Ulcolax; MFCD00038039; NSC614826; 10X0709Y6I; NSC-755914; NCGC00016522-05; NCGC00016522-10; 4-{[4-(acetyloxy)phenyl](pyridin-2-yl)methyl}phenyl acetate; CAS-603-50-9; Deficol; DSSTox_CID_2681; DSSTox_RID_76689; DSSTox_GSID_22681; Bisacodilo; Bisacodylum; HalfLytely; Bisacodylum [INN-Latin]; Bisacodilo [INN-Spanish]; HSDB 3016; (pyridin-2-ylmethylene)di-4,1-phenylene diacetate; SR-01000000233; EINECS 210-044-4; BRN 0323727; 4,4'-(pyridin-2-ylmethylene)bis(4,1-phenylene) diacetate; Horton; CCRIS 8864; Bisacodyl [USP:INN:BAN:JAN]; Bisacodyl,(S); Dulcolax (TN); Prestwick_780; Feen-a-Mint Tablets; Spectrum_000086; HalfLytely (Salt/Mix); Opera_ID_884; Prestwick0_000419; Prestwick1_000419; Prestwick2_000419; Prestwick3_000419; Spectrum2_000149; Spectrum3_000318; Spectrum4_000256; Spectrum5_000898; 4,4'-(2-pyridylmethylene)bisphenol diacetate; CHEMBL942; Correctol Tablets, Caplets; NCIChal_000004; NCIMech_000456; cid_2391; REGID_for_CID_2391; SCHEMBL21044; BSPBio_000378; BSPBio_001916; KBioGR_000692; KBioSS_000506; DivK1c_000347; SPECTRUM1500147; SPBio_000258; SPBio_002317; Bisacodyl (JP17/USP/INN); BPBio1_000416; CHEBI:3125; DTXSID1022681; BDBM61400; HMS501B09; KBio1_000347; KBio2_000506; KBio2_003074; KBio2_005642; KBio3_001416; NINDS_000347; HMS1569C20; HMS1920G21; HMS2090K15; HMS2091O03; HMS2096C20; HMS2235I11; HMS3373L17; HMS3652E04; HMS3713C20; Pharmakon1600-01500147; BCP18567; HY-B0557; ZINC3830321; Tox21_110472; Tox21_200338; CCG-35661; CCG-36442; NSC755914; s4047; STK293202; AKOS001599884; Tox21_110472_1; DB09020; MCULE-8607347748; NSC 755914; NSC-614826; IDI1_000347; 4,4'-Diacetoxydiphenylpyrid-2-ylmethane; Bisacodyl 100 microg/mL in Acetonitrile; Bisacodyl, active ingredient of Viraplex; NCGC00016522-01; NCGC00016522-02; NCGC00016522-03; NCGC00016522-04; NCGC00016522-06; NCGC00016522-07; NCGC00016522-08; NCGC00016522-09; NCGC00016522-11; NCGC00016522-12; NCGC00023260-03; NCGC00023260-04; NCGC00023260-05; NCGC00023260-06; NCGC00257892-01; AC-24284; AS-15820; NCI60_004954; SBI-0051297.P003; 4,4-(2-Pyridylmethylene)diphenol diacetate; AB00051928; B1898; B5066; FT-0603486; SW196918-3; A14914; D00245; D81813; AB00051928-17; AB00051928_18; AB00051928_19; Bisacodyl, analytical standard, for drug analysis; A832704; Phenol, 4,4'-(2-pyridylmethylene)di-, diacetate; Q417874; Q-200726; Q-200727; SR-01000000233-2; SR-01000000233-3; (pyridin-2-ylmethanediyl)dibenzene-4,1-diyl diacetate; BRD-K39987650-001-05-0; BRD-K39987650-001-15-9; Phenol, 4,4'-(2-pyridinylmethylene)bis-, diacetate; Phenol,4'-(2-pyridinylmethylene)bis-, diacetate (ester); 4-[[4-(acetyloxy)phenyl](2-pyridyl)methyl]phenyl acetate; Bisacodyl, European Pharmacopoeia (EP) Reference Standard; 4-[[4-(Acetyloxy)phenyl](2-pyridinyl)methyl]phenyl acetate #; Bisacodyl, United States Pharmacopeia (USP) Reference Standard; [4-[(4-acetoxyphenyl)-(2-pyridyl)methyl]phenyl] acetate;Bisacodyl; Bisacodyl for peak identification, European Pharmacopoeia (EP) Reference Standard; Bisacodyl for system suitability, European Pharmacopoeia (EP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614826	.	.	.	.	361.4	C22H19NO4	65.5	457	3.8	27	0	5	7	"InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3"	CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3	KHOITXIGCFIULA-UHFFFAOYSA-N
DG50051	Pibenzimol	2392	"Pibenzimol; HOECHST 33258; Bisbenzimidazole; 23491-44-3; Hoe-33258; Bis-Benzimide; UNII-LHQ7J5KV9B; CHEBI:52082; Phenol, 4-[5-(4-methyl-1-piperazinyl)[2,5'-bi-1H-benzimidazol]-2'-yl]-; LHQ7J5KV9B; 4-(5-(4-Methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)phenol; p-(5-(5-(4-Methyl-1-piperazinyl)-2-benzimidazolyl)-2-benzimidazolyl)phenol; bisBenzimide H 33258;H 33258; NSC322921; Phenol, 4-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)-; 4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol; Hoechst33258; 4-[5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzimidazol-2'-yl]phenol; 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE; Phenol, p-(5-(5-(4-methyl-1-piperazinyl)-2-benzimidazolyl)-2-benzimidazolyl)-; Hoechst 33258 (trihydrochloride); EINECS 245-689-0; Bisbenzimidazol; CCRIS 8389; Phenol, p-[5-[5-(4-methyl-1-piperazinyl)-2-benzimidazolyl]-2-benzimidazolyl]-; Bisbenzimide (Salt/Mix); p-(5-(5-(4-Methylpiperazin-1-yl)benzimidazol-2-yl)benzimidazol-2-yl)phenol; NCIStruc1_000146; NCIStruc2_001668; Pibenzimol HCl (Salt/Mix); SCHEMBL74554; KBioGR_002443; KBioSS_002449; Bisbenzimide (trihydrochloride); CHEMBL301735; SCHEMBL5332220; DTXSID3066899; SCHEMBL13856958; SCHEMBL18089342; HOE 33258 (trihydrochloride); KBio2_002443; KBio2_005011; KBio2_007579; KBio3_002921; cMAP_000054; ZINC642589; BDBM50498270; CCG-37532; NCGC00014751; NCI322921; ZINC22912997; AKOS024285175; CS-1301; MCULE-3809430132; PHENOL,4-[5-(4-METHYL-1-PIPERAZINYL)[2,5'-BI-1H-BENZIMIDAZOL]-2'-YL]-; NCGC00014751-02; NCGC00097852-01; HY-15558; LS-15104; NCI60_002801; DB-046162; Bisbenzimidazole trihydrochloride (Salt/Mix); FT-0638328; Bisbenzimide H 33342 trihydrochloride, 98%; Q27123162; 2'-(4-hydroxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-1h-benzimidazole; 4-[6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazol-2'-yl]phenol; 2-[2-(4-Hydroxyphenyl)-6-benzimidazolyl]-6-(1-methyl-4-piperazyl)benzimidazole; 4-(5-(4-Methylpiperazin-1-yl)-1H,1'H-[2,5'-bibenzo[d]imidazol]-2'-yl)phenol; 4-(5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzo[d]imidazol-2'-yl)phenol; 4-[5-(4-Methyl-1-piperazinyl)-1H,1'H-2,5'-bibenzimidazol-2'-yl]phenol trihydrochloride; 4-[5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol; p-(5-(5-(4-Methyl-1-piperazinyl)-1H-2-benzimidazolyl)-1H-2-benzimidazolyl)phenol; para-(5-(5-(4-Methyl-1-Piperazinyl)-2-Benzoimidazolyl)-2-Benzoimidazolyl)Phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	322921	.	.	.	.	424.5	C25H24N6O	84.1	634	4	32	3	5	3	"InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)"	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)O	INAAIJLSXJJHOZ-UHFFFAOYSA-N
DG50052	Cyclic dibutyryl AMP	2460	"Cyclic dibutyryl AMP; AMP N6-2'-O-dibutyrate; N6,O2'-Dibutyryl cyclic AMP; N6,2'-O-Dibutyryl cyclic AMP; 362-74-3; Dibutyryl-3',5'-adenosine monophosphate; Dibutyryl adenosine cyclic 3',5'-monophosphate; N6,O2'-Dibutyryl cyclic adenosine monophosphate; NSC-143108; NCGC00021144-02; N6,5'-phosphate; N6,5'-monophosphate; N6,5'-cyclic AMP; N6,5'-monophosphoric acid; N6,5'-cyclic monophosphate; N6,5'-(hydrogen phosphate); SCHEMBL163105; 3',5'-Dibutyryl cyclic AMP; Dibutyryl cyclic 3',5'-AMP; N6,5'-adenosine monophosphate; CHEMBL1371908; CHEBI:91494; N6,5'-AMP; BCP10476; NSC143108; N6,5'-cyclic adenosine monophosphate; AKOS015896463; NCGC00021144-03; NCGC00094988-01; NCGC00094988-02; NCI60_000948; FT-0629734; FT-0654177; Dibutyryl 3',5'-cyclic adenosine monophosphate; BRD-A04706586-236-01-7; Q27163331; Butyramide, 2'-butyrate cyclic 3',5'-(hydrogen phosphate); Butyramide, cyclic 3',5'-(hydrogen phosphate) 2'-butyrate; Bucladesine;3',5'-Cyclic AMP dibutyrate;Cyclic AMP dibutyrate;Dibutyryl 3',5'-Cyclic AMP; butanoic acid [2-hydroxy-2-oxo-6-[6-(1-oxobutylamino)-9-purinyl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-yl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143108	.	.	.	.	469.4	C18H24N5O8P	164	759	-0.5	32	2	11	8	"InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)"	CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C(C4C(O3)COP(=O)(O4)O)OC(=O)CCC	CJGYSWNGNKCJSB-UHFFFAOYSA-N
DG50053	(+)-Camptothecin	2538	"31456-25-4; (+)-Camptothecin; (+/-)Campathecin; CHEMBL276820; NSC302991; 19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione; 4-ETHYL-4-HYDROXY-3,4,12,14-TETRAHYDRO-1H-PYRANO[3'4':6,7]INDOLIZINO[1,2-B]QUINOLINE-3,14-DIONE; (+/-)-Camptothecine;20(RS)-Camptothecin;dl-Camptothecin; 4-ETHYL-4-HYDROXY-3,4,12,14-TETRAHYDRO-1H-PYRANO[3'4'; Topotecan Related Compound C; TNP00113; 4-Ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; (+/-)-Camptothecin; (.+-.)-Camptothecin; Camptothecine, (+-)-; Maybridge1_007381; Neuro_000041; CAMPTOTHECIN (+)-; Oprea1_815005; SCHEMBL2298909; (R)-(-)-Camptothecin-[d5]; (S)-(+)-Camptothecin-[d5]; CHEBI:91620; HMS562H11; DTXSID30274373; HMS3267I18; (S)-4-Ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; 4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE; LSM-1442; BDBM50045363; MFCD00058538; AKOS015895425; BCP9000476; MCULE-8069978843; NSC-302991; SMP2_000016; NCI60_002559; FT-0618395; FT-0623436; FT-0664215; Camptothecin, Camptotheca acuminata - CAS 2114454; BRD-A30437061-001-01-9; BRD-A30437061-001-04-3; Q27163449; 4-Ethyl-4-hydroxy-1H,12H-6,12a-diaza-2-oxa-13H-dibenzo[b,h]fluorene-3,13(4H)-dione; 4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]-indolizino[1,2-b]quinolin-3,14(4H,12H)-dione; (20R)-4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione; (20RS)-4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione-, 4-ethyl-4-hydroxy-, (+-)-; 4-Ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, AldrichCPR; 4-ethyl-4-hydroxy-3,4,12,14-tetrahydro-1H-pyrano[3'',4'':6,7]indolizino[1,2-b]quinoline-3,14-dione; 4-ethyl-4-hydroxy-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302991	.	.	.	.	348.4	C20H16N2O4	79.7	742	1	26	1	5	1	"InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-UHFFFAOYSA-N
DG50054	Carboquone	2569	"carboquone; Esquinon; Carbazilquinone; 24279-91-2; Carbazilequinone; Carbaziloquinone; MLS002703012; NSC134679; Carboquona; Carboquonum; Carboquone [INN:JAN]; Carboquonum [INN-Latin]; Carboquona [INN-Spanish]; 2-(2,5-di(aziridin-1-yl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-2-methoxyethyl carbamate; CCRIS 2748; CS 310; NSC 134679; BRN 1400765; NCGC00181140-01; Esquinon (TN); 2, carbamate ester; Carboquone (JAN/INN); SCHEMBL8079; 2,5-Bis(1-aziridinyl)-3-(2-carbamoyloxy-1-methoxyethyl)-6-methyl-1,4-benzoquinone; 2,5-Bis(1-aziridinyl)-3-(2-hydroxy-1-methoxyethyl)-6-methyl-p-benzoquinone carbamate (ester); DSSTox_CID_26870; DSSTox_RID_81977; DSSTox_GSID_46870; 2-(2-((Aminocarbonyl)oxy)-1-methoxyethyl)-3,6-bis(1-aziridinyl)-5-methyl-2,5-cyclohexadiene-1,4-dione; 5-20-01-00076 (Beilstein Handbook Reference); p-Benzoquinone, 2,5-bis(1-aziridinyl)-3-(2-hydroxy-1-methoxyethyl)-6-methyl-, carbamate (ester); CHEMBL443014; DTXSID8046870; CHEBI:31356; Tox21_112746; DB13677; NSC-134679; [2-[2,5-bis(aziridin-1-yl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-methoxyethyl] carbamate; 2,5-Cyclohexadiene-1,4-dione, 2-(2-((aminocarbonyl)oxy)-1-methoxyethyl)-3,6-bis(1-aziridinyl)-5-methyl-; NCI60_000771; SMR001566820; CAS-24279-91-2; D01270; Q5038065; 2,4-dione, 2,5-bis(1-aziridinyl)-6 (2-hydroxy-1-methoxyethyl)-3-methyl-, carbamate; 2,4-dione, 2-[2-[(aminocarbonyl)oxy]-1-methoxyethyl]-3,6-bis(1-aziridinyl)-5-methyl-; [2-[2,5-bis(aziridin-1-yl)-4-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl]-2-methoxy-ethyl] carbamate; 2,5-Bis(1-aziridinyl)-3-(2-hydroxy-1- methoxyethyl)-6-methyl-1,4-benzoquinone, carbamate (ester); p-Benzoquinone,5-bis(1-aziridinyl)-3-(2-hydroxy-1-methoxyethyl)-6-methyl-, carbamate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134679	.	.	.	.	321.33	C15H19N3O5	102	644	-0.2	23	1	7	7	"InChI=1S/C15H19N3O5/c1-8-11(17-3-4-17)14(20)10(9(22-2)7-23-15(16)21)12(13(8)19)18-5-6-18/h9H,3-7H2,1-2H3,(H2,16,21)"	CC1=C(C(=O)C(=C(C1=O)N2CC2)C(COC(=O)N)OC)N3CC3	SHHKQEUPHAENFK-UHFFFAOYSA-N
DG50055	Carmofur	2577	"carmofur; 61422-45-5; Mifurol; HCFU; 1-Hexylcarbamoyl-5-fluorouracil; UNII-HA82M3RAB2; 1(2H)-Pyrimidinecarboxamide, 5-fluoro-N-hexyl-3,4-dihydro-2,4-dioxo-; 5-fluoro-N-hexyl-2,4-dioxo-3,4-dihydropyrimidine-1(2H)-carboxamide; HA82M3RAB2; Yamaful; 5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide; 5-fluoro-1-(n-hexylcarbamoyl)uracil; NSC-758963; NCGC00095165-01; DSSTox_CID_25941; DSSTox_RID_81239; DSSTox_GSID_45941; Carmofurum; Carmofur [INN:JAN]; C11H16FN3O3; Carmofurum [INN-Latin]; Hexylcarbamoyl fluorouracil; SMR000466363; Mifurol (TN); CAS-61422-45-5; CCRIS 2759; Uracil, 5-fluoro-1-hexylcarbamoyl-; BRN 0888898; Carmofure; Yamafur; HCFU; Mifurol; Carmofur,(S); CPD000466363; Spectrum2_000026; Spectrum3_001960; Carmofur (JP17/INN); 2,4-Dioxo-5-fluoro-N-hexyl-1,2,3,4-tetrahydro-1-pyrimidinecarboxamide; 2,4-Dioxo-5-fluoro-N-hexyl-3,4-dihydro-1(2H)-pyrimidinecarboxamidme; 5-Fluoro-N-hexyl-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinecarboxamide; 1-Pyrimidinecarboxamide, 1,2,3,4-tetrahydro-2,4-dioxo-5-fluoro-N-hexyl-; SCHEMBL8037; BSPBio_003560; 5-24-06-00277 (Beilstein Handbook Reference); MLS000759482; MLS000759483; MLS001423992; SPECTRUM1505317; SPBio_000091; CHEMBL460499; 5-Fluoro-1-hexylcarbamoyluracil; DTXSID2045941; CHEBI:31360; KBio3_002882; HMS1922D08; HMS2051G12; HMS3393G12; HMS3654F13; HMS3712P11; Pharmakon1600-01505317; 5-Fluoro-1-(hexylcarbamoyl)uracil; AMY33448; BCP21373; HY-B0182; ZINC1542916; Tox21_111464; BDBM50431275; CCG-39700; MFCD00866284; NSC758963; s1289; Carmofur, >=98% (HPLC), powder; 1(2H)-Pyrimidinecarboxamide, 3,4-dihydro-2,4-dioxo-5-fluoro-N-hexyl-; AKOS015906778; Tox21_111464_1; CS-2064; DB09010; NC00116; NSC 758963; NCGC00095165-02; NCGC00095165-03; NCGC00095165-04; NCGC00095165-05; NCGC00095165-07; NCGC00095165-16; NCGC00177991-01; AC-12465; BC164286; BS-17210; R923; SBI-0207040.P001; DB-053879; FT-0601619; SW197496-2; C75879; D01784; AB00698319-04; AB00698319_06; AB00698319_07; 422C455; A833212; SR-01000763370; 5-fluoro-N-hexyl-2,4-dioxo-1-pyrimidinecarboxamide; Q5043732; SR-01000763370-3; BRD-K11630072-001-06-6; 5-fluoranyl-N-hexyl-2,4-bis(oxidanylidene)pyrimidine-1-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758963	.	.	.	.	257.26	C11H16FN3O3	78.5	382	2.6	18	2	4	5	"InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)"	CCCCCCNC(=O)N1C=C(C(=O)NC1=O)F	AOCCBINRVIKJHY-UHFFFAOYSA-N
DG50057	Cercosporin from Cercospora hayii	2674	"CERCOSPORIN; Cercosporin from Cercospora hayii; 35082-49-6; 40501-77-7; NSC234486; 7,19-dihydroxy-5,21-bis(2-hydroxypropyl)-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione; Isocercosporin; iso-Cercosporin; (-)-Isocercosporin; SCHEMBL6305985; CHEMBL1080283; CHEBI:91878; DTXSID00960897; BCP23993; HY-N6743; LSM-1808; BDBM50500847; NSC-234486; SMP2_000207; 6,11-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxyperylo[1,12-def][1,3]dioxepine-5,12-dione; NCI60_001893; Perylo(1,12-def)-1,3-dioxepin-5,11-dione, 6,12-dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy-; Perylo[1,12-def]-1,3-dioxepin-5,11-dione, 6,12-dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy-, stereoisomer; CS-0086844; dihydroxy-bis(2-hydroxypropyl)-dimethoxy-[ ]dione; J-019862; BRD-A78360835-001-01-1; Q27163675; (+)-Cercosporin pound>>NSC 153111 pound>>NSC-153111 pound>>NSC153111; 6,11-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy-2H-perylo[1,12-def][1,3]dioxepine-5,12-dione; 6,12-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxyperyleno[1,12-def][1,3]dioxepine-5,11-dione; 6,12-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxyperylo[1,12-def]-1,3-dioxepin-5,11-dione; 6,12-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxyperylo[1,12-def][1,3]dioxepine-5,11-dione #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	234486	.	.	.	.	534.5	C29H26O10	152	988	4	39	4	10	6	"InChI=1S/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-31,34-35H,5-6,9H2,1-4H3"	CC(CC1=C2C3=C(C(=C(C4=C3C5=C6C2=C(C(=O)C=C6OCOC5=CC4=O)C(=C1OC)O)O)OC)CC(C)O)O	MXLWQNCWIIZUQT-UHFFFAOYSA-N
DG50058	NSC289491	2693	"Chetomin; CHEBI:68741; 1403-36-7; 3-(hydroxymethyl)-10b-(3-{[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]oct-1-yl]methyl}-1h-indol-1-yl)-2-methyl-2,3,5a,6,10b,11-hexahydro-3,11a-epidithiopyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione; NSC289491; CHEMBL1965934; SCHEMBL17240924; DTXSID20930759; NSC-289491; NCI60_002373; J-007375; Q27137160; 3-(Hydroxymethyl)-10b-(3-{[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]octan-1-yl]methyl}-1H-indol-1-yl)-2-methyl-2,3,5a,6,10b,11-hexahydro-3,11a-epidithiopyrazino[1',2'"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	289491	.	.	.	.	710.9	C31H30N6O6S4	240	1460	1.9	47	3	11	5	"InChI=1S/C31H30N6O6S4/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-46-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-45-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3"	CN1C(=O)C2(N(C(=O)C1(SS2)CC3=CN(C4=CC=CC=C43)C56CC78C(=O)N(C(C(=O)N7C5NC9=CC=CC=C69)(SS8)CO)C)C)CO	ZRZWBWPDBOVIGQ-UHFFFAOYSA-N
DG50059	Chlorambucil	2708	"chlorambucil; 305-03-3; Ambochlorin; Chloroambucil; Leukeran; Chloraminophen; Chlorbutin; Chloraminophene; Chlorobutine; Amboclorin; Chlorbutine; Chlorobutin; Ecloril; Chlocambucil; Linfolizin; Linfolysin; Lympholysin; Elcoril; Phenylbutyric acid nitrogen mustard; Leukersan; Leukoran; 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid; Chlorambucilum; Cb l348; NSC-3088; Benzenebutanoic acid, 4-[bis(2-chloroethyl)amino]-; CB 1348; Phenylbuttersaeure-lost; NSC 3088; Rcra waste number U035; NCI-C03485; 4-[p-[Bis(2-chloroethyl)amino]phenyl]butyric acid; 4-(4-(Bis(2-chloroethyl)amino)phenyl)butanoic acid; 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid; N,N-Di-2-chloroethyl-gamma-p-aminophenylbutyric acid; CB-1348; 4-(Bis(2-chloroethyl)amino)benzenebutanoic acid; p-(N,N-Di-2-chloroethyl)aminophenyl butyric acid; 4-(p-Bis(beta-chloroethyl)aminophenyl)butyric acid; UNII-18D0SL7309; CHEBI:28830; NSC3088; 4-[Bis(2-chloroethyl)amino]benzenebutyric acid; 4-[Bis(2-chloroethyl)amino]benzenebutanoic acid; CHEMBL515; gamma-[p-Di(2-chloroethyl)aminophenyl]butyric acid; Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-; MLS000028443; Chloorambucol; Chlorbutinum; Elcorin; 4-(Bis(2-chloroethyl)amino)phenylbutyric acid; 4-(p-(Bis(2-chloroethyl)amino)phenyl)butyric acid; gamma-(p-Di(2-chloroethyl)aminophenyl)butyric acid; Butyric acid, 4-(p-bis(2-chloroethyl)aminophenyl)-; MFCD00021783; 18D0SL7309; Kyselina 4-(N,N-bis-(2-chlorethyl)-p-aminofenyl)maselna; NCGC00015199-08; Clorambucile; Clorambucilo; CAS-305-03-3; SMR000058372; Clorambucile [DCIT]; DSSTox_CID_263; Leukeran tablets; 4-[Bis(2-chloroethyl)amino]phenylbutyric acid; DSSTox_RID_75472; DSSTox_GSID_20263; 4-(4-[Bis(2-chloroethyl)amino]phenyl)butyric acid; .gamma.-[p-Di(2-chloroethyl)aminophenyl]butyric acid; Butyric acid, 4-[p-[bis(2-chloroethyl)amino]phenyl]-; Chlorambucilum [INN-Latin]; Clorambucilo [INN-Spanish]; p-N,N-Di-(.beta.-chloroethyl)aminophenyl butyric acid; N,N-Di-2-chloroethyl-.gamma.-p-aminophenylbutyric acid; CCRIS 126; Phenylbuttersaeure-lost [German]; HSDB 3026; SR-01000000062; LEUKERAN (TN); 4-[4-[Bis(2-chloroethyl)amino]phenyl]butyric Acid; EINECS 206-162-0; .gamma.-(p-bis(2-chloroethyl)aminophenyl)butyric acid; .gamma.-[p-bis(2-chloroethyl)aminophenyl]butyric acid; 4-(p-Bis(.beta.-chloroethyl)aminophenyl)butyric acid; 4-[p-Bis(.beta.-chloroethyl)aminophenyl]butyric acid; RCRA waste no. U035; Butyric acid, 4-(p-[bis(2-chloroethyl)amino]phenyl)-; BRN 0999011; chlorambucilddv; Chlorambucil [USP:INN:BAN]; AI3-26083; p-(N,N-Di-2-chlorethylaminophenyl)butyric acid; para-(Di(2-chloroethyl)aminophenyl)butyric acid; Chlorambucil,(S); gamma-(p-bis(2-chloroethyl)aminophenyl)butyricacid; Butanoic acid, 4-(bis(2-chloroethyl)amino) benzene; gamma-(p-Bis(2-chloroethyl)aminophenyl)butyric acid; phenyl)butanoic acid; p-N,N-Di-(beta-chloroethyl)aminophenyl butyric acid; Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenyl); para-N,N-Di(beta-chloroethyl)aminophenyl butyric acid; N,N-Di-2-chloroethyl-gamma-para-aminophenyl butyric acid; Opera_ID_51; Spectrum_000118; Kyselina 4-(N,N-bis-(2-chlorethyl)-p-aminofenyl)maselna [Czech]; Prestwick0_001079; Prestwick1_001079; Prestwick2_001079; Prestwick3_001079; Spectrum2_000065; Spectrum3_000336; Spectrum4_000273; Spectrum5_000677; Lopac-C-0253; Epitope ID:139977; SCHEMBL4308; Lopac0_000227; WLN: QV3R DN2G2G; BSPBio_001098; BSPBio_001971; KBioGR_000766; KBioSS_000558; 4-14-00-01715 (Beilstein Handbook Reference); MLS001076130; DivK1c_000688; SPECTRUM1500171; Chlorambucil (JAN/USP/INN); SPBio_000249; SPBio_002999; BPBio1_001208; GTPL7143; ZINC1115; DTXSID7020263; HMS502C10; KBio1_000688; KBio2_000558; KBio2_003126; KBio2_005694; KBio3_001191; NINDS_000688; HMS1571G20; HMS1920M15; HMS2090M19; HMS2091A22; HMS2098G20; HMS2235A04; HMS3259I10; HMS3372O04; HMS3652P08; Pharmakon1600-01500171; 4-(4-(bis(2-chloroethyl)amino); AMY33445; BCP28394; NCI-3088; Tox21_110096; Tox21_201390; Tox21_302996; BDBM50003677; CCG-39872; NSC756674; s4288; AKOS024319346; Tox21_110096_1; Chlorambucil, purum, >=98.0% (T); CS-3118; DB00291; GS-6200; LP00227; MCULE-2575006904; NC00555; NSC-756674; SDCCGSBI-0050215.P005; IDI1_000688; NCGC00015199-01; NCGC00015199-02; NCGC00015199-03; NCGC00015199-04; NCGC00015199-05; NCGC00015199-06; NCGC00015199-07; NCGC00015199-09; NCGC00015199-10; NCGC00015199-11; NCGC00015199-12; NCGC00015199-13; NCGC00015199-14; NCGC00015199-15; NCGC00015199-16; NCGC00015199-17; NCGC00015199-19; NCGC00015199-20; NCGC00023250-00; NCGC00023250-03; NCGC00023250-04; NCGC00023250-05; NCGC00023250-06; NCGC00023250-07; NCGC00023250-08; NCGC00023250-09; NCGC00023250-10; NCGC00256464-01; NCGC00258941-01; BP-24028; HY-13593; NCI60_002639; SBI-0050215.P004; DB-047794; WR-139013; AB00051938; EU-0100227; FT-0617365; SW197258-4; A14252; A18607; C 0253; C06900; D00266; H10484; AB00051938-14; AB00051938-15; AB00051938_16; 305C033; Q415939; 4[p-Bis(.beta.-chloroethyl)aminophenyl]butyric acid; Butanoic acid, 4-(bis(2-chloroethyl)amino)benzene-; SR-01000000062-2; SR-01000000062-4; SR-01000000062-7; W-106940; .gamma.-(p-bis(2-chloroethyl)aminophenyl)butyricacid; BRD-K29458283-001-04-2; BRD-K29458283-001-05-9; BRD-K29458283-001-17-4; 4-(4-[Bis(2-chloroethyl)amino]phenyl)butanoic acid #; Z1558572529; 4-[4-(N,N-bis(2-chloroethyl)-amino]phenyl)butanoic acid; Chlorambucil, European Pharmacopoeia (EP) Reference Standard; Chlorambucil, United States Pharmacopeia (USP) Reference Standard; Chlorambucil for system suitability, European Pharmacopoeia (EP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3088	.	.	.	.	304.2	C14H19Cl2NO2	40.5	250	1.7	19	1	3	9	"InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)"	C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl	JCKYGMPEJWAADB-UHFFFAOYSA-N
DG50060	alpha-Quinidine	2757	"cinchonine; Cinchonan-9-ol; alpha-Quinidine; 485-71-2; 118-10-5; GNF-PF-5411; MLS002637808; NSC5364; quinolin-4-yl(5-vinylquinuclidin-2-yl)methanol; .alpha.-Quinidine; {5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(quinolin-4-yl)methanol; Cinchonan-9-ol, (8.alpha.,9R)-; a-quinidine; SMR001488502; 2-Quinuclidinemethanol, .alpha.-4-quinolyl-5-vinyl-; NSC6176; (8.alpha.,9R)-Cinchonan-9-ol; NSC-5364; (1S)-Quinolin-4-yl((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol; alpha -quinidine; nchem.180-comp1b; Cinchonan-9-ol,9R)-; MLS006011421; CHEMBL15134; SCHEMBL732494; (+)-Cinchonine; D-Cinchonine; (S)-Quinolin-4-yl[(1S,2R,4S,5R)-5-vinylquinuclidin-2-yl]methanol; (8alpha ,9R)-Cinchonan-9-ol; CHEBI:183479; Cinchonan-9-ol, (8alpha 9R)-; HMS3369H22; HMS3372L22; (8a,9R)-Cinchonan-9-ol, 9CI; BCP18343; Cinchonan-9-ol, (8alpha ,9R)-; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol; BBL012269; STL163586; AKOS000118852; AKOS022060412; CCG-245136; MCULE-3323633075; SB40649; NCGC00094864-01; NCGC00094864-02; NCGC00094864-03; NCGC00094864-04; SY010860; SY011344; VS-03255; DB-041389; CS-0267207; FT-0623823; FT-0627743; FT-0658646; FT-0665045; FT-0665046; AB00973495-02; WLN: T66 BNJ EYQ- DT66 A B CNTJ A1U1; F0001-1271; Z256709172; (Quinoline-4-yl)(5-vinyl-1-azabicyclo[2.2.2]octane-2-yl)methanol; 4-QUINOLYL(5-VINYL-1-AZABICYCLO[2.2.2]OCT-2-YL)METHANOL; 1071759-34-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5364	.	.	.	.	294.4	C19H22N2O	36.4	412	2.7	22	1	3	3	"InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2"	C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O	KMPWYEUPVWOPIM-UHFFFAOYSA-N
DG50061	Eucalyptol	2758	"Eucalyptol; cineole; 1,8-Cineole; 470-82-6; 1,8-Cineol; Cajeputol; Zineol; 1,8-Epoxy-p-menthane; Eucalyptole; Eucapur; Terpan; 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane; p-Cineole; 1,8-Oxido-p-menthane; Eukalyptol; CINEOL; EUCALYPTUS OIL; Cucalyptol; Soledum; 2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-; Eukalyptol [Czech]; Eucalyptol (natural); Zedoary oil; p-Menthane, 1,8-epoxy-; FEMA No. 2465; Cineole (VAN); 8000-48-4; NCI-C56575; UNII-RV6J6604TK; 2-Oxabicyclo(2.2.2)octane, 1,3,3-trimethyl-; NSC 6171; 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octane; 2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane; Cineole (Eucalyptol); NSC6171; NSC-6171; 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane; 2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane; MFCD00167977; RV6J6604TK; CNL; 4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane; CHEBI:27961; NCGC00091666-01; NCGC00091666-04; DSSTox_CID_616; DSSTox_RID_75692; DSSTox_GSID_20616; (1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane; Eucalyptol 1000 microg/mL in Methanol; CAS-470-82-6; SMR000471853; CCRIS 3727; HSDB 991; Eucalyptus citriodora oil; Eucalyptol [USAN:USP]; EINECS 207-431-5; Terpane; Cyneol; Eucaly; BIDD:ER0481; AI3-00578; Eucalyptol,(S); Eucalyptol (USP); 1.8-cineole; Eucalyptol, 99%; Eucalyptol, Ph Helv; p-Menthane,8-epoxy-; cineole (1,8-); WLN: T66 A B AOTJ B1 B1 F1; 1,8-Cineol-[d3]; Spectrum2_000221; Spectrum3_000683; Spectrum4_001747; Spectrum5_000704; bmse000523; EC 207-431-5; SCHEMBL19622; SCHEMBL41020; BSPBio_002405; KBioGR_002194; MLS001050089; MLS001066338; DivK1c_000333; SPECTRUM1500294; SPBio_000261; Eucalyptol, analytical standard; CHEMBL485259; GTPL2464; CHEMBL1231862; CHEMBL1397305; DTXSID4020616; SCHEMBL13554591; SCHEMBL17836873; HMS501A15; KBio1_000333; KBio3_001625; NINDS_000333; HMS2271P04; Pharmakon1600-01500294; ZINC967566; HY-N0066; Tox21_111161; Tox21_202090; Tox21_302902; 5750AF; BDBM50459887; CCG-36080; NSC760388; Acylated oxime isatin derivative, 19; AKOS015903223; AKOS016034339; AKOS037514637; Tox21_111161_1; CCG-266254; CS-8146; DB03852; LMPR0102090019; NSC-760388; IDI1_000333; Eucalyptol, tested according to Ph.Eur.; NCGC00091666-02; NCGC00091666-03; NCGC00091666-05; NCGC00095774-01; NCGC00178671-01; NCGC00256479-01; NCGC00259639-01; AC-20234; Eucalyptol, natural, >=99%, FCC, FG; LS-13868; NCI60_005108; 1,3-Trimethyl-2-oxabicyclo[2.2.2]octane; 2-Oxa-1,3-trimethylbicyclo[2.2.2]octane; DB-070775; 2-Oxabicyclo[2.2.2]octane,3,3-trimethyl-; FT-0607033; FT-0626369; 1,3,3-trimethyl-2-oxabicyclo[2,2,2]octane; A15662; C09844; D04115; AB01563262_01; Q161572; SR-01000763816; SR-01000763816-2; W-106080; 1,8-Cineole, primary pharmaceutical reference standard; Cineole, European Pharmacopoeia (EP) Reference Standard; Eucalyptol, certified reference material, TraceCERT(R); F0001-1260; Eucalyptol, United States Pharmacopeia (USP) Reference Standard; Eucalyptol (cineole), Pharmaceutical Secondary Standard; Certified Reference Material"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6171	.	.	.	.	154.25	C10H18O	9.2	164	2.5	11	0	1	0	"InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3"	CC1(C2CCC(O1)(CC2)C)C	WEEGYLXZBRQIMU-UHFFFAOYSA-N
DG50062	Clioquinol	2788	"clioquinol; 130-26-7; 5-Chloro-7-iodoquinolin-8-ol; Iodochlorhydroxyquin; Chinoform; Chloroiodoquin; Chloroiodoquine; 5-Chloro-8-hydroxy-7-iodoquinoline; Vioform; Iodochloroxyquinoline; Cliquinol; 5-Chloro-7-iodo-8-quinolinol; Iodochlorohydroxyquinoline; Chlorojodochin; Enteroquinol; Iodochloroquine; Iodochloroxine; Iodoenterol; 7-Iodo-5-chloroxine; Entero-Vioform; Iodochlorhydroxyquinoline; Iodoxyquinoline; Alchloquin; Barquinol; Budoform; Cifoform; Dermaform; Dioquinol; Domeform; Eczecidin; Enteroseptol; Enterozol; Enterseptol; Entrokin; Iodenterol; Lekosept; Mycoquin; Quinambicide; Quinoform; Rheaform; Amebil; Amoenol; Bactol; Emaform; Nioform; Rometin; 5-Chloro-7-iodo-8-hydroxyquinoline; Entero-Bioform; Iodochlorohydroxyquin; Hi-Enterol; Iodochlorhydroxyquinol; Hydriodide-enterol; Quin-O-Creme; Entero-Septol; Enterum locorten; 5-Chloro-7-iodo-quinolin-8-ol; Domeform-HC; 8-Quinolinol, 5-chloro-7-iodo-; 7-Iodo-5-chloro-8-hydroxyquinoline; Clioquinolum; Chloro-8-hydroxyiodoquinoline; Quinoform (antiseptic); Vioform n.n.r.; Quinoline, chloro-8-hydroxyiodo-; 5-Chlor-7-jod-8-hydroxy-chinolin; Rheaform boluses; UNII-7BHQ856EJ5; Chinoformum; Cliochinolum; 7BHQ856EJ5; Enterovalodon; Alioform; Enteritan; Jodchloroxychinolinum; Oralcer; CHEBI:74460; Corque; Cortin; Iodochloroxychinolinum; Cremo-quin; Entero-bio form; Entero-Vioformio; NSC-3531; Ala-Quin; UAD Lotion; MFCD00006787; NCGC00016391-05; Cliochinolo; CAS-130-26-7; Cliochinolo [DCIT]; TG2-36-2; Caswell No. 193; C9H5ClINO; DSSTox_CID_2837; Formtone-HC; DSSTox_RID_76751; PBT-1; DSSTox_GSID_22837; Quinoform (VAN); Clioquinolum [INN-Latin]; loquinol; Vioformio; Hi-eneterol; Iodochlorhydroxyquin Cream; Vioform-Hydrocortisone Mild; 22112-03-4; SMR000058282; Rheaform Boluses (Veterinary); CCRIS 6050; NSC-74938; HSDB 6843; 5-Chlor-7-jod-8-hydroxy-chinolin [German]; SR-01000002987; NSC 3531; EINECS 204-984-4; EPA Pesticide Chemical Code 024001; BRN 0153637; Linolasept; Clioquinol [USP:INN:BAN]; Cloquinol; AI3-16451; Clioquinol (CQ); component of Hyquin; NSC 74938; Nystaform (Salt/Mix); Clioquinol (USP/INN); component of Formtone-HC; component of Heb-Cort V; Prestwick0_000886; Prestwick1_000886; Prestwick2_000886; Prestwick3_000886; Formtone-HC (Salt/Mix); CHEMBL497; EC 204-984-4; cid_2788; SCHEMBL3967; NCIOpen2_009062; Oprea1_438281; BSPBio_000672; BSPBio_002466; 5-21-03-00294 (Beilstein Handbook Reference); ksc-8-192; MLS000069389; MLS002454410; SPECTRUM1505114; SPBio_002891; BPBio1_000740; component of Hyquin (Salt/Mix); DTXSID7022837; BDBM32188; NSC3531; WLN: T66 BNJ GG II JQ; HMS1570B14; HMS1648J07; HMS2093I12; HMS2097B14; HMS2230I20; HMS3372J20; HMS3714B14; KUC105859N; Pharmakon1600-01505114; ALBB-031653; component of Cort-Quin (Salt/Mix); ZINC6409735; Tox21_110416; Tox21_200291; NSC759822; s4601; STK399761; 5-chloro-8-hydroxy-7-iodo-quinoline; component of Heb-Cort V (Salt/Mix); AKOS000120779; Tox21_110416_1; AC-6792; CCG-213339; DB04815; FD10468; MCULE-5389218452; NSC-759822; SMP1_000073; NCGC00016391-01; NCGC00016391-02; NCGC00016391-03; NCGC00016391-04; NCGC00016391-06; NCGC00016391-07; NCGC00016391-08; NCGC00016391-09; NCGC00016391-10; NCGC00016391-13; NCGC00021665-03; NCGC00021665-04; NCGC00021665-05; NCGC00257845-01; S4601 5-Chloro-8-hydroxy-7-iodoquin; AS-14597; BC167259; HY-14603; L813; SBI-0206782.P001; DB-041956; AB00384254; FT-0603209; V2416; 4-stearylamino-phenyl-trimethylam. metilsulf.; A16461; Clioquinol, VETRANAL(TM), analytical standard; component of Vioform-Hydrocortisone (Salt/Mix); D03538; AB00384254_17; 5-Chloro-7-iodo-8-quinolinol, >=95.0% (HPLC); CU-01000000767-2; Q-200875; Q5134338; SR-01000002987-2; SR-01000002987-3; SR-01000002987-4; BRD-K09255212-001-04-2; Z2768770393; Clioquinol, British Pharmacopoeia (BP) Reference Standard; Clioquinol, European Pharmacopoeia (EP) Reference Standard; Clindamycin phosphate, Antibiotic for Culture Media Use Only; Clioquinol, United States Pharmacopeia (USP) Reference Standard; CQL"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3531	.	.	.	.	305.5	C9H5ClINO	33.1	193	3.5	13	1	2	0	"InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H"	C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1	QCDFBFJGMNKBDO-UHFFFAOYSA-N
DG50063	Compactin;ML236B	2854	"Compactin;ML236B; MLS002702124; NSC281245; 84173-29-5; NCIChal_000002; SCHEMBL7721400; CHEMBL1710493; HMS3372K09; HMS3394P07; BRL 2485; BRL-2485; AKOS025149489; NSC-281245; LS-15021; NCI60_002287; SMR001565691; FT-0602328; 2-methylbutanoic acid 1,2,3,7,8,8a-hexa-hydro-7-methyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2h-pyran-2-yl)ethyl]-1-naphthalenyl ester; 2-Methylbutyric acid 8-[2-(4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl ester; 58948-09-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281245	.	.	.	.	390.5	C23H34O5	72.8	637	3.9	28	1	5	7	"InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3"	CCC(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O	AJLFOPYRIVGYMJ-UHFFFAOYSA-N
DG50064	"2-((2-Hydroxyethyl)thio)-3-methylnaphthalene-1,4-dione"	2876	"59147-84-1; 2-((2-Hydroxyethyl)thio)-3-methylnaphthalene-1,4-dione; 2-(2-hydroxyethylthio)-3-methylnaphthalene-1,4-dione; NSC-672121; 2-[(2-Hydroxyethyl)thio]-3-methyl-1,4-naphthoquinone; CHEMBL92659; 2-(2-hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone; 2-(2-hydroxyethylsulfanyl)-3-methylnaphthalene-1,4-dione; 2-[(2-Hydroxyethyl)thio]-3-methyl-1,4-naphthalenedione; NSC672121; 2-Hydroxyethylthio-3-methylnaphthoquinone; CPD 5 (pharmaceutical); SCHEMBL2599202; DTXSID50274390; QCR-272; BCP21745; ZINC1856315; 8798AB; BDBM50118676; MFCD11100314; AKOS016011513; NSC 672121; SMP2_000122; AM807678; AS-69105; NCI60_025617; DB-009275; CS-0061155; FT-0712526; I10534; 2-(2-hydroxyethyl)thio-3-methyl-1,4-naphthoquinone; BRD-K55292075-001-01-0; 2-(2-Hydroxy-ethylsulfanyl)-3-methyl-[1,4]naphthoquinone; 2-[(2-HYDROXYETHYL)SULFANYL]-3-METHYLNAPHTHALENE-1,4-DIONE; 2-[(2-hydroxyethyl)sulfanyl]-3-methyl-1,4-dihydronaphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672121	.	.	.	.	248.3	C13H12O3S	79.7	373	1.4	17	1	4	3	"InChI=1S/C13H12O3S/c1-8-11(15)9-4-2-3-5-10(9)12(16)13(8)17-7-6-14/h2-5,14H,6-7H2,1H3"	CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCO	MZIOEPIEDDJOPP-UHFFFAOYSA-N
DG50065	Cyclobenzaprine	2895	"cyclobenzaprine; 303-53-7; Proheptatriene; Proheptatrien; Proeptatriene; Ciclobenzaprina; Fexmid; Lisseril; Cyclobenzaprinum; 10,11-Dehydroamitriptyline; Cyclobenzaprine [INN]; MK 130; Ro 4-1577; UNII-69O5WQQ5TI; Cyclobenzaprine (INN); Flexeril hydrochloride; 3-(5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine; 3-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine; 69O5WQQ5TI; 1-Propanamine, 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-; CHEBI:3996; 5-(3-Dimetilaminopropiliden)-5H-dibenzo-(a,d)-ciclopentene; MK-130 HCl; N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine; NSC78206; 1-Propanamine, 3-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-; Proeptatriene [Italian]; Cyclobenzaprinum [INN-Latin]; Ciclobenzaprina [INN-Spanish]; (3-Dibenzo[a,d]cyclohepten-5-ylidene-propyl)-dimethyl-amine; 5H-Dibenzo(a,d)cycloheptene-.delta.5,.gamma.-propylamine, N,N-dimethyl-; MK-130 (AS THE BASE); MK-130; NSC169900; NSC173379; EINECS 206-145-8; CAS-6202-23-9; 9715 R.P; 9715 R.P.; 5-(3-Dimetilaminopropiliden)-5H-dibenzo-(a,d)-ciclopentene [Italian]; N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine; NCI78206; Amrix (Salt/Mix); Flexeril (Salt/Mix); Cycloflex (Salt/Mix); Spectrum_001535; 1-Propanamine, 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride; N,N-Dimethyl-3-(dibenzo(a,d)cycloheptene-4-ylidene)propylamine; Prestwick0_000445; Prestwick1_000445; Prestwick2_000445; Prestwick3_000445; Spectrum2_001534; Spectrum3_001566; Spectrum4_000162; Spectrum5_001259; Lopac-C-4542; CHEMBL669; NCIStruc1_001572; NCIStruc2_001486; BIDD:PXR0152; Lopac0_000303; Oprea1_534683; SCHEMBL38527; BSPBio_000490; BSPBio_003072; KBioGR_000643; KBioSS_002015; BIDD:GT0485; DivK1c_000047; SPBio_001348; SPBio_002429; BPBio1_000540; GTPL7152; DTXSID0046933; HSDB 8305; KBio1_000047; KBio2_002015; KBio2_004583; KBio2_007151; KBio3_002572; NINDS_000047; BDBM112774; ZINC968263; 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethylpropan-1-amine; BBL035415; CCG-36511; N,N-dimethyl-5H-dibenzo(a,d)cycloheptene-Delta(5,gamma)-propylamine; NCGC00013841; STL416209; AKOS025255657; DB00924; RP 9715; SDCCGSBI-0050291.P005; 5H-DIBENZO(a,d)CYCLOHEPTENE-delta(sup 5),gamma-PROPYLAMINE, N,N-DIMETHYL-; IDI1_000047; MRF-0000742; QTL1_000027; Cyclobenzaprine hydrochloride (Salt/Mix); NCGC00013841-02; NCGC00013841-03; NCGC00013841-04; NCGC00013841-05; NCGC00013841-06; NCGC00013841-08; NCGC00013841-19; NCGC00096951-01; NCGC00162122-01; dimethyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-ylidene]propyl})amine; NCI60_041725; SBI-0050291.P003; US8629135, SW-01; DB-047767; AB00514668; FT-0603167; C06931; D07758; AB00053651_07; 303C537; L001021; Q5198674; BRD-K42348709-003-05-7; BRD-K42348709-003-08-1; 5-(3-dimethylaminopropylidene)-5H-dibenzo[a,d]cycloheptene; 5-(3-dimethylaminopropylidene)- 5H-dibenzo[a,d]cycloheptene; N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-delta5,gamma-propylamine; 3-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine #; 3-(dibenzo[[ ],[ ]][7]annulen-11-ylidene)-N,N-dimethyl-propan-1-amine; N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-.delta.5,.gamma.-propylamine; 3-(dibenzo[1,2-a:1',2'-e][7]annulen-11-ylidene)-N,N-dimethylpropan-1-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	78206	.	.	.	.	275.4	C20H21N	3.2	365	5.2	21	0	1	3	"InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3"	CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31	JURKNVYFZMSNLP-UHFFFAOYSA-N
DG50066	Cycloleucine	2901	"cycloleucine; 1-Aminocyclopentanecarboxylic acid; 52-52-8; 1-Aminocyclopentane-1-carboxylic acid; Cycloleucin; 1-Amino-1-cyclopentanecarboxylic acid; 1-Amino-1-carboxycyclopentane; CYCLO-LEUCINE; 1-Amino-cyclopentanecarboxylic acid; Cyclopentanecarboxylic acid, 1-amino-; NSC 1026; CB 1639; X 201; UNII-0TQU7668EI; 1-Aminocyclopentanecarboxylate; WR 14,997; NSC1026; MFCD00001381; aminocyclopentanecarboxylic acid; 0TQU7668EI; CHEMBL295830; CHEBI:40547; Cycloleucine1-Amino-cyclopentanecarboxylic acid; 1-amino-1-Cyclopentanecarboxylate; 1-amino-1-cyclopentane carboxylic acid; WR 14997; 1-aminocyclopentane-1-carboxylate; 1-ammonio-1-cyclopentanecarboxylate; HSDB 5195; 1-amino cyclopentane carboxylic acid; EINECS 200-144-6; BRN 0636626; A829129; AI3-26442; Cyclopentanecarboxylic acid, 1-amino-, L-; Leucine, Cyclo-; 1-Aminocyclopentane carboxylic acid; Cycloleucine, 97%; (2E)-Decenoyl-ACP; Spectrum_001268; 1y1m; H-NH(1)cPen-OH; AC1OCG3T; Spectrum2_000931; Spectrum3_001514; Spectrum4_000340; Spectrum5_001136; Biomol-NT_000201; NCIMech_000677; WLN: L5TJ AZ AVQ; SCHEMBL8495; BSPBio_003187; KBioGR_000719; KBioSS_001748; 4-14-00-00974 (Beilstein Handbook Reference); DivK1c_000723; SPECTRUM1502128; SPBio_000862; 1-amino-Cyclopentanecarboxylate; BPBio1_001084; ZINC1234; Cyclopentanecarboxylic acid, L-; Acid, aminocyclopentanecarboxylic; DTXSID5024475; HMS502E05; KBio1_000723; KBio2_001748; KBio2_004316; KBio2_006884; KBio3_002687; NILQLFBWTXNUOE-UHFFFAOYSA-; 1 Aminocyclopentanecarboxylic acid; NINDS_000723; HMS1921L08; Acid, 1-aminocyclopentanecarboxylic; ACN-S002879; ACT04362; ALBB-035361; CS-B0093; NSC-1026; 1-amino-cyclopentane carboxylic acid; BBL020454; BDBM50070638; CCG-35835; FD1031; STK133034; ZINC00001234; AKOS000183252; AC-2700; DB04620; LS00115; MCULE-6366286422; IDI1_000723; NCGC00094966-01; NCGC00094966-02; NCGC00094966-03; NCGC00094966-04; NCGC00163268-01; NCGC00178218-01; AC5; AS-11677; HY-30008; NCI60_000070; SY002601; Cycloleucine1-amino-cyclopentanecarboxylate; CYCLOPENTANECARBOXYLIC ACID, L-AMINO; DB-031284; AM20100281; FT-0607341; EN300-39470; C03969; 001C381; Q607775; J-504199; J-802019; F8881-4536; 3DD7E30B-2149-43D9-A44B-7A59D546A28B"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1026	.	.	.	.	129.16	C6H11NO2	63.3	127	-2.6	9	2	3	1	"InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)"	C1CCC(C1)(C(=O)O)N	NILQLFBWTXNUOE-UHFFFAOYSA-N
DG50067	Indibulin	2929	"Indibulin; 204205-90-3; 2-(1-(4-chlorobenzyl)-1H-indol-3-yl)-2-oxo-N-(pyridin-4-yl)acetamide; d-24851; UNII-80K4H2RB8P; ZIO-301; D 24851; 80K4H2RB8P; ZIO 301;D 24851; 2-[1-(4-chlorobenzyl)-1h-indol-3-yl]-2-oxo-n-(pyridin-4-yl)acetamide; 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide; 2-(1-(4-Chlorophenylmethyl)-1H-indol-3-yl)-2-oxo-N-(pyridin-4-yl)acetamide; Indibulin [USAN:INN]; 1H-Indole-3-acetamide, 1-((4-chlorophenyl)methyl)-alpha-oxo-N-4-pyridinyl-; 1H-Indole-3-acetamide, 1-[(4-chlorophenyl)methyl]-alpha-oxo-N-4-pyridinyl-; Indibulin (USAN/INN); MLS006011745; CHEMBL49642; SCHEMBL3165856; DTXSID70174368; QCR-111; ZIO 301; AMY21420; BCP33949; EX-A4542; BDBM50510963; MFCD05861105; NSC758489; STK783524; ZINC37866151; AKOS005619980; D 24851ZIO 301; DB06169; MCULE-2626264660; NSC-758489; SB16543; NCGC00160428-01; NCGC00160428-02; BS-16422; HY-13649; SMR004703467; DB-066199; CS-0007536; FT-0745397; S0444; D10013; D82641; A934135; SR-01000883991; J-013299; SR-01000883991-1; Q27269154; 2-[1-(4-Chlorobenzyl)-1H-indol-3-yl]-2-oxo-N-(4-pyridinyl)acetamide; 2-[1-(4-chlorobenzyl)-1h-indol-3-yl]-2-oxo-n-pyridin-4-ylacetamide; ZIO 301;D 24851;ZIO301;D24851;ZIO-301;D-24851; 1H-Indole-3-acetamide, 1-[(4-chlorophenyl)methyl]-.alpha.-oxo-N-(4-pyridinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758489	.	.	.	.	389.8	C22H16ClN3O2	64	558	3.9	28	1	3	5	"InChI=1S/C22H16ClN3O2/c23-16-7-5-15(6-8-16)13-26-14-19(18-3-1-2-4-20(18)26)21(27)22(28)25-17-9-11-24-12-10-17/h1-12,14H,13H2,(H,24,25,28)"	C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C(=O)C(=O)NC4=CC=NC=C4	SOLIIYNRSAWTSQ-UHFFFAOYSA-N
DG50068	Cerubidin	2958	"Cerubidin; Daunorubicin mixt. with native calf thymus DNA; 73610-99-8; 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; Daunorubicine; Rubomycin C; NSC 82151; Rubomycin; 3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside; Daunorubicin mixture with salmon sperm DNA; Daunorubicin semiquinone; Daunomycine; Daunomycin semiquinone radical; Daunorubicin radical ion(1-); NSC-83142; Daunorubicin semiquinone radicals; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, mixt. with calf thymus cross-linked DNA; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, mixt. with denatured calf thymus DNA; 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S,10S)-; 5,12-Naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S,10S)-; Starch, sodium salt, polymer with (8S-cis)-8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione; Ondena (Salt/Mix); Neuro_000035; Daunorubicin hydrochloride DNA; DR-1; SCHEMBL5941450; CHEMBL3560489; CHEBI:94265; Daunomycin hydrochloride (Salt/Mix); NSC112758; NSC169533; NSC257453; NSC257454; NSC262198; NSC262199; NSC262200; NSC262647; NSC262648; NSC262649; NSC272705; NSC272706; NSC273442; NSC304684; NSC304685; NSC359653; Rubidomycin hydrochloride (Salt/Mix); STK177291; AKOS005410692; NDC-0082-4155 (Salt/Mix); MCULE-6546034726; NSC-112758; NSC-169533; NSC-257453; NSC-257454; NSC-262198; NSC-262199; NSC-262200; NSC-262647; NSC-262648; NSC-262649; NSC-272705; NSC-272706; NSC-273442; NSC-304684; NSC-304685; NSC-359653; SMP2_000297; NCGC00248440-01; NCGC00248440-02; FT-0624457; BRD-A37630846-001-01-4; Q27166065; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, calf thymus DNA complex; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, mixt. with calf thymus DNA; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, mixt. with denatured salmon sperm DNA; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, mixt. with formaldehyde cross-linked salmon sperm DNA; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, mixt. with salmon sperm DNA; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, salmon sperm DNA complex; 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, radical ion(1-), (8S,10S)-; 5,12-Naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-; 8-Acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-l-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-,(8S-cis)-5,12-Naphthacenedione; 9-acetyl-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; Nucleic acid, sodium salt, compound with (8S-cis)-8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112758	.	.	.	.	527.5	C27H29NO10	186	960	1.8	38	5	11	4	"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3"	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O	STQGQHZAVUOBTE-UHFFFAOYSA-N
DG50069	"9,10-Phenanthrenediimine"	2981	"9,10-Phenanthrenediimine; Phenanthrene-9,10-diimine; NSC684322; 5665-52-1; NSC 684322; SCHEMBL3141116; CHEMBL1981091; 9,10-phenanthrenequinone diimine; NSC-684322; NCI60_030272"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684322	.	.	.	.	206.24	C14H10N2	47.7	289	2.7	16	2	2	0	"InChI=1S/C14H10N2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8,15-16H"	C1=CC=C2C(=C1)C3=CC=CC=C3C(=N)C2=N	ASBFNPBREVZDOE-UHFFFAOYSA-N
DG50070	NSC803074	3006	NSC803074; NSC-803074	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803074	.	.	.	.	470.4	C22H28FO8P-2	147	962	-0.1	32	2	9	3	"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/p-2"	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C	VQODGRNSFPNSQE-UHFFFAOYSA-L
DG50071	Dichlorophen	3037	"Dichlorophen; dichlorophene; 97-23-4; 2,2'-Methylenebis(4-chlorophenol); Dichlorofen; Dichlorphen; Didroxane; Anthiphen; Didroxan; Parabis; Trivex; Antiphen; Cordocel; Dicestal; Difentan; Embephen; Panacide; Prevental; Taeniatol; Teniathane; Teniatol; Teniotol; Vermithana; Antifen; Halenol; Hyosan; Korium; Palacel; Dichlorophen B; Phenol, 2,2'-methylenebis[4-chloro-; Dichlorophene 10; Dichloorfeen; Gingivit; Wespuril; Gefir; Fungicide M; DDDM; Plath-Lyse; Fungicide GM; Preventol GD; Preventol GDC; Diphenthane 70; Bis(5-chloro-2-hydroxyphenyl)methane; Sandocide; Super mosstox; Di-phentane-70; Bis(chlorohydroxyphenyl)methane; 2,2'-Dihydroxy-5,5'-dichlorodiphenylmethane; Bis(2-hydroxy-5-chlorophenyl)methane; Giv Gard G 4-40; Di-(5-chloro-2-hydroxyphenyl)methane; Bis-2-hydroxy-5-chlorfenylmethan; Dichlorofen [Czech]; 1322-43-6; Bis(5-chlor-2-hydroxyphenyl)-methan; 5,5'-Dichloro-2,2'-dihydroxydiphenylmethane; Methanedichlorofen; O,O-Metilen-bis(4-cloro-fenolo); UNII-T1J0JOU64O; 4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol; G-4 Technical; 4,4'-Dichloro-2,2'-methylenediphenol; G-4 Pure; ((Dihydroxydichloro)diphenyl)methane; 2,2'-Methylenebis-(4-chlorophenol); 2,2'-Methylene-bis (4-chlorophenol); Phenol, 2,2'-methylenebis(4-chloro-; T1J0JOU64O; CHEMBL33845; MLS000069468; G 4; G-4; 2,2/'-METHYLENEBIS(4-CHLOROPHENOL); 4-chloro-2-(5-chloro-2-hydroxybenzyl)phenol; CHEBI:34689; NSC38642; 2,2'-Methylenebis[4-chlorophenol]; O,O-Methyleen-bis-(4-chloorfenol); 2,2'-methanediylbis(4-chlorophenol); Dichlorofen (Czech); MFCD00002322; NSC-38642; NCGC00091325-05; Dichlorophenum; Diclorofeno; SMR000059095; DSSTox_CID_1824; DSSTox_RID_76351; DSSTox_GSID_21824; 2,5'-dichlorodiphenylmethane; 5,2'-dihydroxydiphenylmethane; Sindar G 4; Dichloorfeen [Dutch]; WLN: QR DG B1R BQ EG; Caswell No. 563; 4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol; Phenol,2'-methylenebis[4-chloro-; [(Dihydroxydichloro)diphenyl]methane; DDM (VAN); Diclorofeno [INN-Spanish]; CAS-97-23-4; Dichlorophene [INN-French]; Dichlorophene [ISO-French]; Dichlorophenum [INN-Latin]; Dichlorophen [INN:BAN:DCF]; CCRIS 6060; G 4 (VAN); HSDB 6033; Dichlorophen [BSI:ISO]; EINECS 202-567-1; NSC 38642; EPA Pesticide Chemical Code 055001; BRN 1884514; Algafen; Anthipen; Nuophene; Westpuril; Bis-2-hydroxy-5-chlorfenylmethan [Czech]; Fungicide fx; AI3-02370; O,O-Methyleen-bis(4-chloorfenol) [Dutch]; Difent*n; O,O-Metilen-bis(4-cloro-fenolo) [Italian]; Acticide DDM; Bis(5-chlor-2-hydroxyphenyl)-methan [German]; Diphentane 70; o,o-Methyleen-bis(4-chloorfenol); Cuniphen (Salt/Mix); Spectrum_000762; Opera_ID_1730; Spectrum2_001214; Spectrum3_001405; Spectrum4_000390; Spectrum5_001519; SCHEMBL18052; BSPBio_003050; KBioGR_000919; KBioSS_001242; MLS001076530; BIDD:ER0237; DivK1c_000460; SPECTRUM1500626; SPBio_001028; 4-chloro-2-[(5-chloro-2-hydroxy-phenyl)methyl]phenol; DTXSID6021824; Ecco MP 2004 (Salt/Mix); HMS501G22; KBio1_000460; KBio2_001242; KBio2_003810; KBio2_006378; KBio3_002270; ZINC56435; NINDS_000460; HMS1921M03; HMS2230H06; HMS3373O17; KUC106446N; KUC112931N; Pharmakon1600-01500626; NSC39467; Tox21_111112; Tox21_201429; Tox21_303013; BDBM50303912; CCG-39772; NSC-39467; NSC757391; s5724; 2,2''-methylenebis(4-chlorophenol); AKOS015917706; bis(2-hydroxy-5-chlorophenyl)-methane; Tox21_111112_1; 2,2'-Methylene-bis(4-chloro-phenol); CS-3867; DB11396; KSC-19-050; MCULE-2962145672; NSC-757391; bis-(5-chloro-2-hydroxyphenyl)-methane; IDI1_000460; QTL1_000030; NCGC00091325-01; NCGC00091325-03; NCGC00091325-04; NCGC00091325-06; NCGC00091325-07; NCGC00091325-09; NCGC00256543-01; NCGC00258980-01; AC-10330; AS-12817; HY-12638; KSC-336-005-1; SBI-0051563.P002; Bis(5-chloro-2-hydroxyphenyl)methane, 95%; FT-0609137; FT-0739351; M0213; E79441; 3,3''-dichloro-6,6''-dihydroxydiphenylmethane; AB00052130_15; Dichlorophene, PESTANAL(R), analytical standard; A845699; Q377552; SR-01000721928; SR-01000721928-3; W-100114; Bis(5-chloro-2-hydroxyphenyl)methane, technical grade, 90%; JAL"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757391	.	.	.	.	269.12	C13H10Cl2O2	40.5	226	4.3	17	2	2	2	"InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2"	C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O	MDNWOSOZYLHTCG-UHFFFAOYSA-N
DG50072	Digimed	3061	"Digimed; Digilong; Digimerck; Digisidin; Ditaven; Myodigin; Natigal; Purodigin; Tardigal; Tri-digitoxoside; Digitalinum verum; De-Tone; Digitaline nativelle; Crystalline digitalin; Purodigin, crystalline; Digitaline cristallisee; Digitoxigenin tridigitoxoside; Cardidigin; Carditoxin; Cristapurat; Crystodigin; Digitophyllin; Glucodigin; Acedoxin; Cardigin; Lanatoxin; Purpurid; Coramedan; Digicor; Digipural; Digitrin; NSC7529; NSC 7529; NSC-7529; NCGC00159428-02; MCULE-9206348209; NCGC00159428-03; NCI60_041649; DB-055556; FT-0603272; 5.beta.-Card-20(22)-enolide,14-dihydroxy-, 3-[tris-(digitoxoside)]; 5.beta.-Card-20(22)-enolide, 3.beta.,14-dihydroxy-, 3-(tris-(digitoxoside)); Digitoxin solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; 3-((2,6-Dideoxy-4-O-[2,6-dideoxy-4-O-(2,6-dideoxyhexopyranosyl)hexopyranosyl]hexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide #; 4-(3-((5-((5-((4,5-dihydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)furan-2(5h)-one; Card-20(22)-enolide, 3-((O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3.beta.,5.beta.)-; Card-20(22)-enolide, 3-[(O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-; Card-20(22)-enolide, 3-[(O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.->.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.->.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-; Card-20(22)-enolide, 3-[(O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-; WLN: L E5 B666TJ A1 E1 IQ F- DT5OV EHJ& OO- FT6OTJ B1 DQ CO- FT6OTJ B1 DQ CO- FT6OTJ B1 CQ DQ"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7529	.	.	.	.	764.9	C41H64O13	183	1410	2.3	54	5	13	7	"InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3"	CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O	WDJUZGPOPHTGOT-UHFFFAOYSA-N
DG50073	"Ergocristine, dihydro-"	3065	"NSC409663; Ergocristine, dihydro-; GTPL278; CHEMBL1967279; BDBM32638; CHEBI:91714; NSC-409663; NCGC00181119-01; NCI60_003928; L000676; BRD-A44701612-066-01-9; N-[7-benzyl-2-hydroxy-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	409663	.	.	.	.	611.7	C35H41N5O5	118	1210	3.3	45	3	6	5	"InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)"	CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C	DEQITUUQPICUMR-UHFFFAOYSA-N
DG50074	"3,3'-Diindolylmethane"	3071	"3,3'-Diindolylmethane; 1968-05-4; diindolylmethane; di(1H-indol-3-yl)methane; 3,3'-Methylenediindole; 3,3'-Methylenebis-1H-indole; 3-(1H-indol-3-ylmethyl)-1H-indole; DIM; ARUNDINE; 1H-Indole, 3,3'-methylenebis-; Di(3-indolyl)methane; 3,3'-Di-indolylmethane; 3,3'-methylenebis(1H-indole); 3,3,-diindolylmethane; UNII-SSZ9HQT61Z; MFCD00195766; SSZ9HQT61Z; bis-1H-indol-3-ylmethane; CHEBI:50182; 3,3'-methanediylbis(1H-indole); HB 236; 3-Diindolyl methane; 3,3'-Diindolymethane; Diidolylmethane; Infemin; CCRIS 5806; Plant Indole; Di-3-indolylmethane; NSC708486; 33'-Diindolylmethane; Spectrum2_001711; Spectrum3_001989; Spectrum5_001955; CBiol_001839; Oprea1_472633; Oprea1_740951; BSPBio_001290; BSPBio_003589; CBDivE_010856; KBioGR_000010; KBioSS_000010; MLS006011847; SCHEMBL325162; SPECTRUM1505331; SPBio_001722; 3,3'-di(indol-3-yl)methane; BML3-F11; CHEMBL446452; 3,3'-Diindolylmethane (DIM); DTXSID8037047; GTPL11208; KBio2_000010; KBio2_002578; KBio2_005146; KBio3_000019; KBio3_000020; KBio3_003002; Bio1_000125; Bio1_000614; Bio1_001103; Bio2_000010; Bio2_000490; HMS1361A12; HMS1791A12; HMS1989A12; HMS3402A12; ZINC187911; 3,3'-diindolylmethane, AldrichCPR; ACT06989; ALBB-016048; BCP00470; CCG-39861; GR-207; HSCI1_000069; s4728; STK263696; AKOS003627372; AM84671; CS-1652; DB11875; KS-5266; MCULE-3718375492; NSC-708486; SB16901; IDI1_033760; NCGC00095348-01; NCGC00095348-02; NCGC00095348-03; NCGC00095348-04; NCGC00095348-05; NCGC00095348-06; NCGC00095348-07; AC-11611; HY-15758; NCI60_038418; SMR001828114; SY038972; 3,3'-Diindolylmethane, >=98% (HPLC); 3,3'-Diindolylmethane, analytical standard; DB-011102; FT-0614061; M1399; 3,3 inverted exclamation marka-Diindolylmethane; A16321; D-3720; 968D054; Q4634053; BRD-K37846922-001-05-2; BRD-K37846922-001-06-0; BRD-K37846922-001-09-4; C444299000"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708486	.	.	.	.	246.31	C17H14N2	31.6	286	4.3	19	2	0	2	"InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2"	C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43	VFTRKSBEFQDZKX-UHFFFAOYSA-N
DG50076	Thiorphan	3132	"THIORPHAN; dl-thiorphan; 76721-89-6; 2-[(2-benzyl-3-sulfanylpropanoyl)amino]acetic acid; DL-3-Mercapto-2-benzylpropanoylglycine; 2-(2-Benzyl-3-mercaptopropanamido)acetic acid; CHEMBL10247; (DL-3-Mercapto-2-benzylpropanoyl)-Gly-OH; CHEBI:9568; Glycine, N-(2-(mercaptomethyl)-1-oxo-3-phenylpropyl)-, (+-)-; MFCD00058435; SR-01000076164; n-(2-benzyl-3-sulfanylpropanoyl)glycine; Prestwick_694; (+/-)-Thiorphan; Prestwick0_000633; Prestwick1_000633; Prestwick2_000633; Prestwick3_000633; Lopac0_001139; BSPBio_000626; BSPBio_001543; KBioGR_000263; KBioSS_000263; MLS002153923; SCHEMBL401174; SPBio_002845; BPBio1_000690; BDBM21641; KBio2_000263; KBio2_002831; KBio2_005399; KBio3_000525; KBio3_000526; DTXSID70868412; Bio2_000263; Bio2_000743; DL-Thiorphan, >=98% (TLC); HMS1361N05; HMS1569P08; HMS1791N05; HMS1989N05; HMS2096P08; HMS2230G03; HMS3263D19; HMS3373F16; HMS3402N05; HMS3713P08; Tox21_501139; NSC727676; AKOS024257670; CCG-205213; FD21637; LP01139; NSC 727676; NSC-727676; SDCCGSBI-0051106.P003; IDI1_034013; SMP2_000064; DL-Thiorphan - CAS 76721-89-6; N-(2-Benzyl-3-mercaptopropanoyl)glycine; NCGC00016033-02; NCGC00016033-03; NCGC00016033-04; NCGC00016033-05; NCGC00016033-06; NCGC00016033-11; NCGC00094405-01; NCGC00094405-02; NCGC00094405-03; NCGC00094405-04; NCGC00261824-01; AS-79321; SMR001233267; EU-0101139; FT-0675192; 2-(2-benzyl-3-sulfanylpropanamido)acetic acid; C01619; T 6031; (+/-)-N-(3-Mercapto-2-benzylpropionyl)glycine; N-alpha-(Dl-3-Mercapto-2-Benzylpropanoyl)-Glycine; Q7784695; SR-01000076164-1; SR-01000076164-5; 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]acetic acid; BRD-A56012032-001-06-4; Racecadotril active metabolite; ; ; Acetorphan active metabolite"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727676	.	.	.	.	253.32	C12H15NO3S	67.4	265	1.3	17	3	4	6	"InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)"	C1=CC=C(C=C1)CC(CS)C(=O)NCC(=O)O	LJJKNPQAGWVLDQ-UHFFFAOYSA-N
DG50077	"(2R,3R,4S,5R)-2-(5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol"	3165	"DRB;; (2R,3R,4S,5R)-2-(5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol; MLS003171503; 2-(5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol; NSC401575; Kinome_3639; CHEMBL267071; SCHEMBL20419020; HMS3373F12; NSC-401575; NCGC00096104-01; NCGC00096104-02; SMR001875388; FT-0666623; 5,6-dichloro-1-beta-d-ribofuranosylbenzimi-dazole; Benzimidazole,6-dichloro-1-.beta.-D-ribofuranosyl-; 1H-Benzimidazole,6-dichloro-1-.beta.-D-ribofuranosyl-; Dichlorobenzimidazole Riboside, DRB (5,6-Dichloro-1-b-D-ribofuranosylbenzimidazole)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401575	.	.	.	.	319.14	C12H12Cl2N2O4	87.7	364	1.1	20	3	5	2	"InChI=1S/C12H12Cl2N2O4/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(19)10(18)9(3-17)20-12/h1-2,4,9-12,17-19H,3H2"	C1=C2C(=CC(=C1Cl)Cl)N(C=N2)C3C(C(C(O3)CO)O)O	XHSQDZXAVJRBMX-UHFFFAOYSA-N
DG50078	Echinomycin	3197	"Levomycin; Echinomycin; Quinomycin A; NSC526417; 512-64-1; MLS002702903; Quinomycin A;NSC-13502; 1403-88-9; S-426-S (Lepetit); NSC-526417; SMR001566720; Echinomycin A; N,N'-(11,24-diisopropyl-2,4,12,15,17,25-hexamethyl-27-(methylthio)-3,6,10,13,16,19,23,26-octaoxo-9,22-dioxa-28-thia-2,5,12,15,18,25-hexaazabicyclo[12.12.3]nonacosane-7,20-diyl)bis(quinoxaline-2-carboxamide); GNF-PF-1958; Quinomycin A (7CI,; cid_3197; Neuro_000224; SCHEMBL63091; Echinomycin (NSC-13502); CHEMBL263730; DTXSID5031266; BDBM93922; Antibiotic C638-8, crystalline; NSC13502; NSC-13502; echinomycin (undefined stereochemistry); C 6388; Q5332566; 2-Quinoxalinecarboxmide,N'-[2,4,12,15,17,25-hexamethyl-~ 11,24-bis(1-methylethyl)-27-(methylthio)-3,6,10,13,16,19,23~ ,26-octaoxo-9,22-dioxa-28-thia-2,5,12,15,18,25-hexaazabicyclo [12.12.3]nonacosane-7,20-diyl]bis-; 2-Quinoxalinecarboxmide,N'-[2,4,12,15,17,25-hexamethyl-11,24-bis(1-methylethyl) -27-(methylthio)-3,6,10,13,16,19,23,26-octaoxo-9,22-dioxa -28-thia-2,5,12,15,18,25-hexaazabicyclo[12.12.3]nonacosan e-7,20-diyl]bis-; N-[2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide; WLN: T C-16-6-16-/CE& A B C- C- 2CP E& AS CX C-S DNV GMV KOV NNV PXNV TMV A&OV D&NVTJ D1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13502	.	.	.	.	1101.3	C51H64N12O12S2	352	2200	2.7	77	4	18	7	"InChI=1S/C51H64N12O12S2/c1-25(2)38-49(72)74-22-36(59-42(65)34-21-53-30-17-13-15-19-32(30)57-34)44(67)55-28(6)46(69)63(10)40-48(71)62(9)39(26(3)4)50(73)75-23-35(58-41(64)33-20-52-29-16-12-14-18-31(29)56-33)43(66)54-27(5)45(68)60(7)37(47(70)61(38)8)24-77-51(40)76-11/h12-21,25-28,35-40,51H,22-24H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)"	CC1C(=O)N(C2CSC(C(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)SC)C	AUJXLBOHYWTPFV-UHFFFAOYSA-N
DG50079	Econazole	3198	"econazole; 27220-47-9; Ecostatin; (+-)-Econazole; Spectazole; 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; (+/-)-Econazol; NSC 187789; C18H15Cl3N2O; CHEBI:82873; 1-(2-((4-Chlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole; SQ 13050; NSC187789; NSC-187789; Econazol; Econazolum; 1-{2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole; 1-{2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole; 1H-Imidazole, 1-(2-((4-chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-; R-14827; 1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole; 1-[2,4-Dichloro-.beta.-[(p-chlorobenzyl)oxy]phenethyl]imidazole; 1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole; 1H-Imidazole, 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-; NSC243115; Econazole (USAN/INN); NCGC00018258-03; Econazol [INN-Spanish]; Econazole [USAN:INN:BAN]; 1-(2,4-Dichloro-.beta.-((p-chlorobenzyl)oxy)phenethyl)imidazole; CCRIS 9032; 1-(2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole; 1-[2-(4-Chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole; EINECS 248-341-6; BRN 0964150; Spectrum_001223; (.+/-.)-Econazole; Prestwick0_000304; Prestwick1_000304; Prestwick2_000304; Prestwick3_000304; Spectrum2_001439; Spectrum3_001467; Spectrum4_000446; Spectrum5_001033; CHEMBL808; SCHEMBL34498; BSPBio_000268; BSPBio_002993; KBioGR_000832; KBioSS_001703; cid_68589; DivK1c_000113; SPBio_001578; SPBio_002487; BPBio1_000296; GTPL2446; DTXSID2029872; BDBM31773; KBio1_000113; KBio2_001703; KBio2_004271; KBio2_006839; KBio3_002493; 1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; NINDS_000113; 1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole; HY-B0885; MFCD00800993; s5492; STL483402; AKOS015889868; ( inverted exclamation markA)-Econazol; 1H-Imidazole,4-dichlorophenyl)ethyl]-; CCG-268426; DB01127; ( inverted exclamation markA)-Econazole; IDI1_000113; NCGC00018258-02; NCGC00018258-05; NCGC00018258-06; NCGC00018258-07; NCGC00018258-09; AS-13862; M369; MFCD00058160 (.HNO3); NCI60_001564; NCI60_001947; SBI-0051682.P002; DB-047186; AB00053611; FT-0630530; C08068; D03936; F14858; J10460; AB00053611-20; AB00053611_21; AB00053611_22; 220E479; 68797-31-9 (.HNO3); A818963; Q417141; W-107123; BRD-A51820102-008-05-7; BRD-A51820102-008-16-4; 1-[2,4-Dichloro-b-[(p-chlorobenzyl)oxy]phenethyl]imidazole; Imidazole, 1,2,4-dichloro-beta-(p-chlorobenzyl)oxyphenethyl-; Imidazole,4-dichloro-.beta.-[(p-chlorobenzyl)oxy]phenethyl]-; 1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole; Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-; 1-[2-(4-chloro-benzyloxy)-2-(2,4-dichloro-phenyl)-ethyl]-1H-imidazole; Imidazole, 1-(2,4-dichloro-.beta.-((p-chlorobenzyl)oxy)phenethyl)-; (+)-1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole; ( )-1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole; 1-[(2RS)-2-[(4-Chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	243115	.	.	.	.	381.7	C18H15Cl3N2O	27	379	5.3	24	0	2	6	"InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2"	C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl	LEZWWPYKPKIXLL-UHFFFAOYSA-N
DG50080	Ellipticine	3213	"ellipticine; 519-23-3; 5,11-Dimethyl-6H-pyrido[4,3-b]carbazole; Elliptisine; NSC 71795; TCMDC-125546; 5,11-Dimethyl-6H-pyrido(4,3-b)carbazole; NSC-71795; ICIG 770; 5,11-Dimethylpyrido[4,3-b]carbazole; UNII-117VLW7484; NSC71795; CHEMBL123; MLS000028487; MLS000736786; CHEBI:4776; 6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-; 6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl-; CCG-36483; 117VLW7484; SMR000058370; CCRIS 2003; CP 5; SR-01000003083; EINECS 208-264-0; BRN 0221300; elliptecine; Ellipticin; ellipticine, HCl; 5,3-b]carbazole; Prestwick_194; Ellipticine, synthetic; Opera_ID_1748; Prestwick0_000614; Prestwick1_000614; Prestwick2_000614; Prestwick3_000614; Lopac-E-3380; Probes1_000152; Probes2_000130; cid_3213; Neuro_000031; Lopac0_000531; REGID_for_CID_3213; BSPBio_000548; 5-23-09-00417 (Beilstein Handbook Reference); MLS001076505; SCHEMBL138079; SPBio_002767; BPBio1_000604; AOB6851; DTXSID30199855; HMS1569L10; HMS2096L10; HMS2230H10; HMS3261L03; HMS3371L09; BCP13208; EX-A2053; ZINC1846592; Tox21_500531; BDBM50004233; MFCD00010524; AKOS024457578; CS-5294; LP00531; SDCCGSBI-0050514.P002; CCG36483; NSC71795; NCGC00015411-01; NCGC00015411-02; NCGC00015411-03; NCGC00015411-04; NCGC00015411-05; NCGC00015411-06; NCGC00015411-07; NCGC00015411-08; NCGC00015411-09; NCGC00015411-10; NCGC00015411-12; NCGC00015411-19; NCGC00022199-03; NCGC00022199-04; NCGC00022199-05; NCGC00261216-01; AS-77042; CAS-519-23-3; HY-15753; NCI60_040685; 5,11-dimethyl-2H-pyrido[4,3-b]carbazole; DB-052047; WLN: T D6 B656 FN LMJ C1 J1; B7382; EU-0100531; FT-0632272; C09154; E 3380; K00071; SR-01000003083-2; SR-01000003083-6; BRD-K85985071-001-03-3; BRD-K85985071-001-16-5; BRD-K85985071-001-22-3; Q10359556"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71795	.	.	.	.	246.31	C17H14N2	28.7	342	4.8	19	1	1	0	"InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3"	CC1=C2C=CN=CC2=C(C3=C1NC4=CC=CC=C43)C	CTSPAMFJBXKSOY-UHFFFAOYSA-N
DG50081	Emodin	3220	"emodin; 518-82-1; Emodol; Frangula emodin; 1,3,8-trihydroxy-6-methylanthracene-9,10-dione; Schuttgelb; Rheum emodin; Archin; Frangulic acid; 3-Methyl-1,6,8-trihydroxyanthraquinone; Persian Berry Lake; 1,3,8-Trihydroxy-6-methylanthraquinone; 6-Methyl-1,3,8-trihydroxyanthraquinone; 9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl-; 1,3,8-Trihydroxy-6-methyl-9,10-anthraquinone; C.I. Natural Yellow 14; 1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione; Alatinone; Rheum-emodin; 4,5,7-Trihydroxy-2-methylanthraquinone; Frangulinic acid; UNII-KA46RNI6HN; C.I. 75440; NSC 408120; NSC 622947; Emodin-d4; Anthraquinone, 1,3,8-trihydroxy-6-methyl-; NSC408120; KA46RNI6HN; CHEMBL289277; Anthraquinone, 6-methyl-1,3,8-trihydroxy-; CHEBI:42223; 1,3,8-Trihydroxy-6-methylanthra-9,10-quinone; MFCD00001207; NSC622947; 1,3,8-tri-hydroxy-6-methyl-anthra-quinone; DSSTox_CID_5231; DSSTox_RID_77709; 6-Methyl-1,3,8-trihydroxy-9,10-anthracenedione; DSSTox_GSID_25231; EMO; 9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl- (9CI); 1,8-Trihydroxy-6-methylanthraquinone; CAS-518-82-1; SMR000326798; CCRIS 3528; HSDB 7093; SR-01000075615; EINECS 208-258-8; BRN 1888141; Emdoin; Frangula-emodin; AI3-38286; 3bqc; Emodin,(S); Spectrum_001954; 1f0q; 3ed0; SpecPlus_000332; Spectrum2_000895; Spectrum3_000742; Spectrum4_001757; Spectrum5_000614; Lopac-E-7881; Emodin, analytical standard; NCIMech_000049; Lopac0_000552; BSPBio_002324; KBioGR_002234; KBioSS_002508; 1,3,8-trihydroxy-6-methyl-anthracene-9,10-dione; MLS000563068; MLS001066370; MLS004257392; MLS006011712; DivK1c_006428; SCHEMBL177689; SPBio_000710; MEGxp0_000460; DTXSID5025231; ACon1_001939; BDBM11318; KBio1_001372; KBio2_002500; KBio2_005068; KBio2_007636; KBio3_001544; Emodin - CAS 518-82-1; HMS2230K22; HMS3261P05; HMS3373B16; HMS3655H22; 1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9,10-dione; ACT03256; BCP18372; TNP00318; ZINC3824868; 9, 1,3,8-trihydroxy-6-methyl-; Tox21_202999; Tox21_303218; Tox21_500552; CCG-35263; LMPK13040008; s2295; STL581876; 3-Methyl-1,8-trihydroxyanthraquinone; 4,7-Trihydroxy-2-methylanthraquinone; AKOS003348641; AC-1004; CS-1412; DB07715; KS-5189; LP00552; MCULE-1083063386; NSC-408120; NSC-622947; SDCCGSBI-0050535.P004; Anthraquinone,3,8-trihydroxy-6-methyl-; SMP2_000211; NCGC00015420-01; NCGC00015420-02; NCGC00015420-03; NCGC00015420-04; NCGC00015420-05; NCGC00015420-06; NCGC00015420-07; NCGC00015420-08; NCGC00015420-09; NCGC00015420-22; NCGC00091540-01; NCGC00091540-02; NCGC00091540-03; NCGC00091540-04; NCGC00091540-05; NCGC00257090-01; NCGC00260544-01; NCGC00261237-01; 1,3,8-Trihydroxy-6-methyl-anthraquinone; HY-14393; M371; NCI60_003906; 6-methyl-1,3,8-tri-hydroxy-anthra-quinone; E0500; EU-0100552; FT-0606539; FT-0667846; N1854; SW219906-1; 1,8-Trihydroxy-6-methyl-9,10-anthraquinone; Emodin, from Frangula bark, >=90% (HPLC); E 7881; J10081; K00056; Emodin; 6-Methyl-1,3,8-trihydroxyanthraquinone; 1,3, 8-Trihydroxy-6-methyl-9,10-anthraquinone; 1,3,8-Trihydroxy-6-methylanthra-9,10-quinone #; 518E821; A828825; Anthraquinone, 1,3,8-trihydroxy-6-methyl- (8CI); Q-100581; Q4348178; SR-01000075615-1; SR-01000075615-6; BRD-K58685305-001-03-0; 1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione, 9CI; Emodin, United States Pharmacopeia (USP) Reference Standard; 1,3,8-trihydroxy-6-methyl-anthracene-9,10-dione;3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	408120	.	.	.	.	270.24	C15H10O5	94.8	434	2.7	20	3	5	0	"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3"	CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O	RHMXXJGYXNZAPX-UHFFFAOYSA-N
DG50082	Behenoyl-arabinofuranosyl-cytosine	3228	"BEHENOYL-ARABINOFURANOSYL-CYTOSINE; N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]docosanamide; BHAC; BH-AC; SCHEMBL7963; CHEMBL1965199; DOCOSANAMIDE,NUCLEOSIDE DERIV; NSC239336; AKOS015895202; SB67389; NCGC00167964-01; NCI60_001919; FT-0630685; N4-BEHENOYL-1-B-D-ARABINOSYLCYTOSINE; Docosanamide,2-dihydro-2-oxo-4-pyrimidinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	239336	.	.	.	.	565.8	C31H55N3O6	132	774	9.2	40	4	6	23	"InChI=1S/C31H55N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(36)32-26-22-23-34(31(39)33-26)30-29(38)28(37)25(24-35)40-30/h22-23,25,28-30,35,37-38H,2-21,24H2,1H3,(H,32,33,36,39)"	CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O	SAMRUMKYXPVKPA-UHFFFAOYSA-N
DG50083	Erythrosin B	3259	"Erythrosin B; Tetraiodofluorescein; 15905-32-5; Iodeosin; Erythrosine acid; Solvent Red 140; ERYTHROSINE; Erythrosine, phenolic; 2,4,5,7-Erythrosin; 2',4',5',7'-Tetraiodofluorescein; UNII-1A878FZQ9B; E127; 3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one; 1A878FZQ9B; NCGC00166249-02; Food Red No. 3; DSSTox_CID_24207; DSSTox_RID_80523; Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-; Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-; DSSTox_GSID_44843; C.I. Food Red 14; FD and C Red No. 3; 3',6'-dihydroxy-2',4',5',7'-tetraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one; SMR000857151; CAS-15905-32-5; EINECS 240-046-0; NSC 328781; C.I. 45430; BRN 0062817; Fluoresceins; Felumin; Ceplac; Trace; Dianthine B; Iodeosine B; Pyrosine B; C20H8I4O5; Tetrajodfluorescein; Spiro[isobenzofuran-1(3H),9'-[9h]xanthen]-3-one,3',6'-dihydroxy-2',4',5',7'-tetraiodo-; E127 Erythrosine; 2,5,7-Erythrosin; tetra-iodo-fluorescein; Cogilor orange 211.10; Cogilor orange 312.42; Erythrosine sodium anhydrous; C.I. Solvent Red 140; 2,5,7-Tetraiodofluorescein; SCHEMBL25042; Erythrosine, sodium anhydrous; 4-19-00-02923 (Beilstein Handbook Reference); MLS001332405; MLS001332406; Red 1427; CHEMBL1332616; DTXSID7044843; 2',5',7'-Tetraiodofluorescein; 2, 4,5,7-Tetraiodofluorescein; Fluorescein,4',5',7'-tetraiodo-; ZINC8214556; Tox21_113464; Tox21_301634; 6670AH; BDBM50542241; Erythrosin B, Dye content >=95 %; NSC328781; STL453505; AKOS015903873; Tox21_113464_1; MCULE-7126483659; NSC-328781; 3',6'-Dihydroxy-2',4',5',7'-tetraiodospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one; SMP2_000049; NCGC00166249-01; NCGC00166249-03; NCGC00256240-01; AS-74205; CS-0030748; T0124; Q420101; J-009558; Fluorescein, 2',4',5',7'-tetraiodo- (VAN) (8CI); UNII-YUW2S48521 component OALHHIHQOFIMEF-UHFFFAOYSA-N; Spiro[isobenzofuran-1(3H), 3',6'-dihydroxy-2',4',5',7'-tetraiodo-; 3',6'-Dihydroxy-2',4',5',7'-tetraiodospiro[isobenzofuran-1(3H),9'(9H)-xanthen]-3-one, 9CI"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328781	.	.	.	.	835.9	C20H8I4O5	76	645	6	29	2	5	0	"InChI=1S/C20H8I4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H"	C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)O)I)I)O)I	OALHHIHQOFIMEF-UHFFFAOYSA-N
DG50084	Ethacrynic acid	3278	"ETHACRYNIC ACID; Etacrynic Acid; 58-54-8; ethacrynate; Etacrinic acid; Edecrin; Hydromedin; Crinuryl; Edecril; Edecrina; Endecril; Hidromedin; Otacril; Taladren; Mingit; Reomax; Uregit; Etakrinic acid; Methylenebutyrylphenoxyacetic acid; MK-595; Ethacrinique (acide); Acido etacrinico; Acide etacrynique; Acidum etacrynicum; Kyselina ethakrynova; Kyselina ethakrynova [Czech]; 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid; Acide etacrynique [INN-French]; Acido etacrinico [INN-Spanish]; Acidum etacrynicum [INN-Latin]; (2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)acetic acid; Methylenebutyryl phenoxyacetic acid; [2,3-Dichloro-4-(2-methylenebutyryl)phenoxy]acetic acid; 2,3-Dichloro-4-(2-methylenebutyl)phenoxyacetic acid; UNII-M5DP350VZV; MK 595; NSC 85791; NSC 624008; BRN 1915060; Acetic acid, [2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-; 2,3-Dichloro-4-(2-methylenebutyryl)phenoxy acetic acid; (2,3-Dichloro-4-(2-methylenebutyryl)phenoxy)acetic acid; (4-(2-Methylenebutyryl)-2,3-dichlorophenoxy)acetic acid; 2-(2,3-Dichloro-4-(2-methylenebutanoyl)phenoxy)acetic acid; CHEMBL456; Acetic acid, (2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy)-; Kyselina 4-(2-(1-butenyl)karbonyl)-2,3-dichlorfenoxyoctova [Czech]; M5DP350VZV; 58-54-8 (free acid); MLS000069535; MLS002701928; CHEBI:4876; [2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid; Kyselina 4-(2-(1-butenyl)karbonyl)-2,3-dichlorfenoxyoctova; Acetic acid, (2,3-dichloro-4-(2-methylenebutyryl)phenoxy)-; NSC85791; NSC-85791; NSC624008; NSC-624008; CAS-58-54-8; [2,3-dichloro-4-(2-methylenebutanoyl)phenoxy]acetic acid; [4-(2-Methylenebutyryl)-2,3-dichlorophenoxy]acetic acid; NCGC00016260-05; 2-[2,3-dichloro-4-(2-methylenebutanoyl)phenoxy]acetic acid; SMR000058600; [2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy]acetic acid; Ethacryinic Acid; DSSTox_CID_5257; DSSTox_RID_77718; DSSTox_GSID_25257; Ethacrynic acid [USAN:BAN]; (2,3-Dichloro-4-[2-methylenebutyryl]phenoxy)acetic acid; C13H12Cl2O4; CCRIS 4638; HSDB 2136; Ethacrynic acid (USP); SR-01000003010; EINECS 200-384-1; etacrynicacid; Etacrynsaure; Crinuril; Acetic acid, [2,3-dichloro-4-(2-methylenebutyryl)phenoxy]-; etacrynic-acid; Ethacrynic acid [USAN:USP]; 1gsf; 2gss; Prestwick_671; Opera_ID_61; Etacrynic acid [INN]; Spectrum_000813; Prestwick0_000259; Prestwick1_000259; Prestwick2_000259; Prestwick3_000259; Spectrum2_000097; Spectrum3_000425; Spectrum4_000544; Spectrum5_000680; E0526; bmse000134; SCHEMBL26353; BSPBio_000078; BSPBio_002010; KBioGR_001207; KBioSS_001293; MLS002548854; DivK1c_000900; Etacrynic acid (JP17/INN); SPECTRUM1500287; SPBio_000054; SPBio_002297; 2,3-Dichloro-4-(2-methylenebutyryl)phenoxyacetic acid; BPBio1_000086; GTPL7179; ZINC1382; DTXSID3025257; HMS502M22; KBio1_000900; KBio2_001293; KBio2_003861; KBio2_006429; KBio3_001230; NINDS_000900; HMS1568D20; HMS1920M16; HMS2089N17; HMS2091D17; HMS2095D20; HMS3259G03; HMS3712D20; Pharmakon1600-01500287; HY-B1640; Ethacrynic acid, >=97% (HPLC); Tox21_110335; Tox21_201102; BDBM50186231; CCG-38915; MFCD00056693; NSC757026; s5561; WLN: QV1OR BG CG DVY2&U1; GST Inhibitor-2 (Ethacrynic acid)); AKOS003404732; Tox21_110335_1; DB00903; KS-1453; MCULE-6140194266; NC00450; NSC-757026; IDI1_000900; NCGC00016260-01; NCGC00016260-02; NCGC00016260-03; NCGC00016260-04; NCGC00016260-06; NCGC00016260-07; NCGC00016260-08; NCGC00016260-09; NCGC00016260-10; NCGC00016260-11; NCGC00016260-13; NCGC00022601-03; NCGC00022601-04; NCGC00022601-05; NCGC00258654-01; NCI60_041898; SBI-0051374.P003; DB-053221; AB00051988; CS-0013591; V0310; A51097; D00313; AB00051988-19; AB00051988_20; A831918; Q418571; SR-01000003010-2; SR-01000003010-3; BRD-K63630713-001-05-0; BRD-K63630713-001-15-9; [2,3-Dichloro-4-(2-ethylacryloyl)phenoxy]acetic acid #; Acetic acid,3-dichloro-4-(2-methylenebutyryl)phenoxy]-; Acetic acid,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-; Ethacrynic acid, European Pharmacopoeia (EP) Reference Standard; Ethacrynic acid, United States Pharmacopeia (USP) Reference Standard; Etacrynic acid for system suitability, European Pharmacopoeia (EP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85791	.	.	.	.	303.13	C13H12Cl2O4	63.6	370	3.8	19	1	4	6	"InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)"	CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl	AVOLMBLBETYQHX-UHFFFAOYSA-N
DG50085	Fenbendazole	3334	"fenbendazole; 43210-67-9; Panacur; Fenbendazol; Phenbendasol; Fenbendazolum; Safe-Guard; Hoe 881v; Methyl 5-(phenylthio)-2-benzimidazolecarbamate; Safe-quard; 2-(Methoxycarbonylamino)-5-(phenylthio)benzimidazole; methyl [5-(phenylsulfanyl)-1H-benzimidazol-2-yl]carbamate; HOE-881v; methyl (6-(phenylthio)-1H-benzo[d]imidazol-2-yl)carbamate; methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate; UNII-621BVT9M36; Fenbendazole (Panacur); Fenbendazole (USP/INN); MFCD00144301; methyl N-[5-(phenylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate; Carbamic acid, [5-(phenylthio)-1H-benzimidazol-2-yl]-, methyl ester; Methyl (5-(phenylthio)-1H-benzimidazol-2-yl)carbamate; CHEMBL37161; 5-(phenylthio)-2-benzimidazolecarbamic acid methyl ester; MLS000069723; 2-Benzimidazolecarbamic acid, 5-(phenylthio)-, methyl ester; CHEBI:77092; [5-(Phenylthio)-1H-benzimidazol-2-yl]carbamic acid methyl ester; HOE 881; 621BVT9M36; Carbamic acid, (5-(phenylthio)-1H-benzimidazol-2-yl)-, methyl ester; N-[6-(phenylthio)-1H-benzimidazol-2-yl]carbamic acid methyl ester; methyl [5-(phenylthio)-1H-benzimidazol-2-yl]carbamate; NSC-757824; NCGC00016855-01; SMR000058217; CAS-43210-67-9; Carbamic acid, N-[6-(phenylthio)-1H-benzimidazol-2-yl]-, methyl ester; DSSTox_CID_20672; DSSTox_RID_79532; DSSTox_GSID_40672; Methyl [5-(Phenylthio)benzimidazol-2-yl]carbamate; methyl 5-(phenylthio)-1H-benzo[d]imidazol-2-ylcarbamate; methyl (5-(phenylthio)-1H-benzo[d]imidazol-2-yl)carbamate; methyl N-(5-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate; [5-(Phenylthio)benzimidazol-2-yl]carbamic Acid Methyl Ester; Fenbendazol [INN-Spanish]; Fenbendazolum [INN-Latin]; CCRIS 7309; Fenbendazole [USAN:BAN:INN]; EINECS 256-145-7; Pancacur; Axilur; Panacur aquasol; Worm-A-Rest; Prestwick_213; Fenbendazole [USAN:USP:INN:BAN]; Panacur (TN); Spectrum_001254; Fenbendazole, >=98%; Prestwick0_000210; Prestwick1_000210; Prestwick2_000210; Prestwick3_000210; Spectrum2_000040; Spectrum3_000911; Spectrum4_001010; Spectrum5_001359; cid_3334; Panacur [veterinary] (TN); Oprea1_477843; BSPBio_000199; KBioGR_001479; KBioSS_001734; MLS006010049; DivK1c_000257; SCHEMBL166352; SPECTRUM1501016; SPBio_000139; SPBio_002120; Fenbendazole for veterinary use; BPBio1_000219; HOE 881Y; HOE-881Y; SCHEMBL8469702; DTXSID0040672; SCHEMBL20796999; BDBM31047; HMS500M19; KBio1_000257; KBio2_001734; KBio2_004302; KBio2_006870; KBio3_001882; NINDS_000257; HMS1568J21; HMS1921D03; HMS2090G12; HMS2092B11; HMS2095J21; HMS2234P14; HMS3371J16; HMS3656C04; HMS3712J21; Pharmakon1600-01501016; ZINC402911; BCP22258; HY-B0413; Tox21_110649; Tox21_301828; CCG-39631; NSC757824; s2468; STK378581; AKOS005448335; AKOS024462438; Tox21_110649_1; AC-8717; CCG-220210; DB11410; KS-5042; MCULE-9731772039; NSC 757824; IDI1_000257; NCGC00016855-02; NCGC00016855-03; NCGC00016855-04; NCGC00016855-05; NCGC00016855-06; NCGC00016855-07; NCGC00016855-08; NCGC00016855-10; NCGC00016855-11; NCGC00022515-03; NCGC00022515-04; NCGC00022515-05; NCGC00255694-01; I011; SMR004701217; SY052602; SBI-0051634.P002; AB00052199; F0812; FT-0630630; SW196522-3; C21876; D04140; J10252; AB00052199-13; AB00052199-14; AB00052199_15; AB00052199_16; Fenbendazole, VETRANAL(TM), analytical standard; 210F679; A826225; methyl 5-(phenyl-thio)-2-benzimidazole-carbamate; Methyl 5-phenylthio-1H-benzimidazol-2-ylcarbamate; Q908013; SR-01000000195; SR-05000001768; Q-201109; SR-01000000195-2; SR-05000001768-1; BRD-K51318897-001-04-7; BRD-K51318897-001-07-0; BRD-K56309460-001-03-0; Methyl 5-(phenylsulfanyl)-1H-benzimidazol-2-ylcarbamate #; Fenbendazole, European Pharmacopoeia (EP) Reference Standard; (5-Phenylsulfanyl-1H-benzoimidazol-2-yl)-carbamic acid methyl ester; Fenbendazole, United States Pharmacopeia (USP) Reference Standard; Panacur; Phenbendasol; Safe-quard; Hoe 881v; Hoe881v; Hoe-881v; Fenbendazole, Pharmaceutical Secondary Standard; Certified Reference Material"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757824	.	.	.	.	299.3	C15H13N3O2S	92.3	363	3.6	21	2	4	4	"InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3	HDDSHPAODJUKPD-UHFFFAOYSA-N
DG50086	5-Fluoro-2'-deoxyuridine	3363	"5-Fluoro-2'-deoxyuridine; 2968-28-7; Floxuridin; FdUrd; 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione; 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione; Uridine, 2'-deoxy-5-fluoro-; 5-FUDR; 5-Fluorouracil deoxyriboside; FDUR; NSC 27640; Ro 5-0360; Uridine, 2'-deoxy-5-fluoro; Uridine, 2'-deoxy-5'-fluoro-; NSC27640; 955-24-8; Neuro_000015; CHEMBL6628; NCIOpen2_002917; SCHEMBL2050487; CHEBI:94445; DTXSID70274397; .beta.-5-Fluoro-2'-deoxyuridine; HMS3259B07; HMS3371D03; HMS3654N13; ALBB-023675; NSC66259; NSC-66259; NSC527320; AKOS015998165; MCULE-4401224773; NC00623; NSC-527320; NCGC00018095-02; NCGC00018095-03; NCGC00018095-04; NCGC00094992-01; NCGC00094992-02; NCGC00094992-03; LS-07473; NCI60_002251; DB-020996; WLN: T6NVMVJ EF A- ET5OTJ B1Q CQ; FT-0620392; EN300-50293; 1.beta.-D-2'-Deoxyribofuranosyl-5-flurouracil; 1.beta.-D-2'-Deoxyribofuranosyl-5-fluorouracil; AB01273927-01; 1-(2-Deoxy-.beta.-D-ribofuranosyl)-5-fluorouracil; 1-(2-Deoxy-b-D-threo-pentofuranosyl)-5-fluorouracil; BRD-A80638690-001-01-0; Q27166311; 5-Fluor-1-(.beta.-2'-deoxyribofuranosyl)pyrimidin-2,4(1H,3H)-dion; 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione; (2'S,3S)-[2-(3-Hydroxypyrrolidin-1-yl)-1-phenylethyl]methylcarbamicacidbenzylester; 1397179-21-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	27640	.	.	.	.	246.19	C9H11FN2O5	99.1	386	-1.2	17	3	6	2	"InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)"	C1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)O	ODKNJVUHOIMIIZ-UHFFFAOYSA-N
DG50087	2-Fluoro Ara-A	3367	"Fludarabine Base; 2-Far; 19768-92-4; F-ara-A;NSC 118218; 2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 2'-fluoroadenosine; 2-Fluoro Ara-A; 2-(6-amino-2-fluoro-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 21679-15-2; 2-Fas; SRI 727; 2-fluoro-9-pentofuranosyl-9h-purin-6-amine; NSC-118218; CHEMBL598; 2-Fluoroadenine arabinoside; SCHEMBL12019517; DTXSID30274398; HMS3372G10; HMS3373K17; HMS3868I13; BCP03611; NSC30605; 2-Fluoro ARA-A (9-.alpha.-D); NSC-30605; NSC108524; NSC118218; NSC124463; STL454964; AKOS015962354; NSC-108524; NSC-124463; SB19413; SB67359; AC-16705; NCI60_000572; DB-011559; DB-021115; FT-0626438; FT-0631846; Adenine, 9-.beta.-D-arabinofuranosyl-2-fluoro-; Purine, 6-amino-2-fluoro-9-.beta.-D-ribofuranosyl-; 9H-Purin-6-amine, 9-.beta.-D-arabinofuranosyl-2-fluoro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118218	.	.	.	.	285.23	C10H12FN5O4	140	367	-0.6	20	4	9	2	"InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)"	C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)F)N	HBUBKKRHXORPQB-UHFFFAOYSA-N
DG50088	Fludara	3368	"fludara; FAMP; 9H-Purin-6-amine, 2-fluoro-9-(5-O-phosphono-.beta.-D-arabinofuranosyl)-; 2-F-ara-AMP; NSC-328002; Fludarabine Phosphate (Fludara); Fludura; NSC 312887; NSC 328002; Fludara (Berlex); [(2R,3S,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate; 2-fluoro-9-(5-o-phosphonopentofuranosyl)-9h-purin-6-amine; SCHEMBL1650192; CHEMBL1965242; HMS3654F05; NSC312887; STL452901; STL452969; NCI60_002698; DB-050430; FT-0630840; AB01273950-01; 9-.beta.-Arabinofuranosyl-2-fluoroadenine-5'-phosphate; 9-.beta.-D-Arabinofuranosyl-2-fluoroadenine 5'-monophosphate; 2-Fluoro-9-(5-O-phosphono-.beta.-D-arabinofuranosyl)-9H-purin-6-amine; 2-fluoro-9-(5-O-phosphonopentofuranosyl)-1,9-dihydro-6H-purin-6-imine; 9-.beta.-D-Arabinofuranosyl-2-fluoroadenine 5'-(dihydrogen phosphate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	312887	.	.	.	.	365.21	C10H13FN5O7P	186	514	-3.1	24	5	12	4	"InChI=1S/C10H13FN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)"	C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COP(=O)(O)O)O)O)F)N	GIUYCYHIANZCFB-UHFFFAOYSA-N
DG50089	6alpha-Fluorodexamethasone	3375	"6.alpha.-Fluorodexamethasone; NSC54702; MFCD00056464; CHEMBL2007346; AKOS025149901; MCULE-4580442571; LS-14954; NCI60_004347; SY074151; FT-0626440; FT-0666805; U 10974; 6.alpha.,9.alpha.-Difluoro-16.alpha.-methylprednisolone; 6.alpha.,17,21-trihydroxy-16.alpha.-methylpregna-1,4-diene-3,20-dione; Pregna-1,20-dione, 6.alpha.,9-difluoro-11.beta.,17,21-trihydroxy-16.alpha.-methyl-; Pregna-1,20-dione, 6,9-difluoro-11,17,21-trihydroxy-16-methyl-, (6.alpha.,11.beta.,16.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54702	.	.	.	.	410.5	C22H28F2O5	94.8	839	1.9	29	3	7	2	"InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3"	CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)F	WXURHACBFYSXBI-UHFFFAOYSA-N
DG50090	Fluspirilene	3396	"Fluspirilene; Redeptin; 1841-19-6; Imap; Fluspirilen; Fluspirilenum [INN-Latin]; Fluspirileno [INN-Spanish]; McN-JR-6218; R 6218; Fluspiriline; 8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; UNII-C5QA4GLR9M; R 6218;Redeptin; C5QA4GLR9M; 1-Phenyl-4-oxo-8-(4,4-bis(4-fluorophenyl)butyl)-1,3,8-triazaspiro(4,5)decane; CHEMBL46516; R-6218; NCGC00015424-04; NCGC00015424-11; Fluspirileno; Fluspirilenum; CAS-1841-19-6; 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4,4-bis(4-fluorophenyl)butyl)-1-phenyl-; 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-; DSSTox_CID_25152; DSSTox_RID_80706; DSSTox_GSID_45152; Fluspirilene [USAN:INN:BAN]; SMR000058304; Imap (TN); Lopac-F-100; SR-01000075385; EINECS 217-418-6; Fluspirilene (USAN/INN); spiropiperidine analogue, 1; BRN 0633853; 8-(4,4-bis(4-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; 8-(4,4-Bis(p-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro-(4.5)decan-4-one; Prestwick0_000906; Prestwick1_000906; Prestwick2_000906; Prestwick3_000906; F-100; GTPL85; 8-[4,4-bis(4-fluorophenyl)butyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one; cid_3396; Lopac0_000518; Oprea1_804941; SCHEMBL42082; BSPBio_000752; BSPBio_001343; 5-26-04-00097 (Beilstein Handbook Reference); MLS000069357; MLS001333730; SPBio_002951; McN-JR 6218; BPBio1_000828; DTXSID7045152; BDBM26948; CHEBI:93369; TQP0727; HMS1570F14; HMS1791D05; HMS1989D05; HMS2089C15; HMS2097F14; HMS2233B20; HMS3261H17; HMS3372H20; HMS3402D05; HMS3714F14; ZINC537755; AOB33780; BCP09254; Fluspirilene (R 6218; Redeptin); HY-B1655; Tox21_110142; Tox21_500518; MFCD00055137; NSC772296; 8-[4,4-bis(p-Fluorophenyl)butyl]-1-phenyl-1,3,8-triazino[4.5]decan-4-one; AKOS015969747; Tox21_110142_1; CCG-204608; DB04842; LP00518; NSC-772296; SDCCGSBI-0050501.P002; 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4,4-bis(p-fluorophenyl)butyl]-1-phenyl-; NCGC00015424-01; NCGC00015424-02; NCGC00015424-03; NCGC00015424-05; NCGC00015424-06; NCGC00015424-07; NCGC00015424-08; NCGC00015424-09; NCGC00015424-15; NCGC00016595-01; NCGC00093913-01; NCGC00093913-02; NCGC00093913-03; NCGC00093913-04; NCGC00093913-05; NCGC00261203-01; AS-16749; AB00513956; CS-0013609; EU-0100518; FT-0668770; D02629; AB00513956-10; L001195; Q408300; J-011797; SR-01000075385-1; SR-01000075385-5; BRD-K77947974-001-04-9; ETHYL1-(TERT-BUTYL)-4,5-DIOXOPYRROLIDINE-3-CARBOXYLATE; Fluspirilene, European Pharmacopoeia (EP) Reference Standard; 8-(4,4-Bis(p-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro(4,5)decan-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772296	.	.	.	.	475.6	C29H31F2N3O	35.6	653	5.6	35	1	5	7	"InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)"	C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F	QOYHHIBFXOOADH-UHFFFAOYSA-N
DG50091	Epigalanthamin	3449	"Galantamin; Epigalanthamin; MLS000766281; NSC100058; 9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol; epigalanthamine; Galanthamine #; Dihydrogalantamine; NSC-100058; Galanthamine,(3.alpha.-; Galantamine; HSDB 7361; Oprea1_097473; Oprea1_098077; SCHEMBL220427; CHEMBL1623394; CHEBI:91735; HMS2269H23; HMS3561F13; BCP28966; LSM-1597; BBL028838; STL146336; AKOS000635322; NCI60_000004; SMR000528869; FT-0667895; FT-0668941; FT-0668942; FT-0668943; Q-201144; BRD-A49148672-001-07-9; BRD-A49148672-004-01-6; Q27163546; (1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0^{1,12.0^{6,17]heptadeca-6(17),7,9,15-tetraen-14-ol; 6H-Benzofuro(3a,3,2-ef)(2)benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS-(4a.alpha.,6.beta.,8aR*))-; 6H-Benzofuro[3a,2-ef][2]benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, [4aS-(4a.alpha.,6.beta.,8aR*)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	100058	.	.	.	.	287.35	C17H21NO3	41.9	440	1.8	21	1	4	1	"InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3"	CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O	ASUTZQLVASHGKV-UHFFFAOYSA-N
DG50092	Gedunine	3458	"gedunin; Gedunine; MLS002706531; 2753-30-2; CHEMBL2004035; SCHEMBL17603575; NSC113497; NSC-113497; 16,17-Seco-24-nor-5.alpha.,13.alpha.,14.beta.,17.alpha.-chola-1,20,22-trien-16-oic acid, 14,15.beta.:21,23-diepoxy-7.alpha.,17-dihydroxy-4,4,8-trimethyl-3-oxo-, 16,17-lactone, acetate; D-Homo-24-nor-17-oxachola-1,20,22-triene-3,16-dione, 7-(acetyloxy)-14,15:21,23-diepoxy-4,4,8-trimethyl-, (5.alpha.,7.alpha.,13.alpha.,14.beta.,15.beta.,17a.alpha.)-; NCI60_000302; SMR001573935; 1-(3-Furyl)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-1,3,3a,4b,5,6,6a,7,8,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]oxireno[2,3-d]isochromen-5-yl acetate #; 16,13.alpha.,14.beta.,17.alpha.-chola-1,20,22-trien-16-oic acid, 14,15.beta.:21,23-diepoxy-7.alpha.,17-dihydroxy-4,4,8-trimethyl-3-oxo-, 16,17-lactone, acetate; D-Homo-24-nor-17-oxachola-1,22-triene-3,16-dione, 7-(acetyloxy)-14,15:21,23-diepoxy-4,4,8-trimethyl-, (5.alpha.,7.alpha.,13.alpha.,14.beta.,15.beta.,17a.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113497	.	.	.	.	482.6	C28H34O7	95.3	1030	4.2	35	0	7	3	"InChI=1S/C28H34O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h8-10,12,14,17-18,20-22H,7,11,13H2,1-6H3"	CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C45C(O4)C(=O)OC(C5(CC3)C)C6=COC=C6)C)C)(C)C	YJXDGWUNRYLINJ-UHFFFAOYSA-N
DG50093	Gentian violet cation	3468	"Gentian violet cation; Crystal violet ion(1); 7438-46-2; Crystal violet cation; UNII-3GVJ31T6YY; crystal violet(1+); gentian violet(1+); CHEBI:77181; Hexamethyl pararosaniline; crystal violet carbocation; gentian violet carbocation; 3GVJ31T6YY; GV-Eleven; Basic Violet-3; Crystal Violet Base; [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium; N-(4-{bis[4-(dimethylamino)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium; GNF-PF-880; NSC3090; NSC271967; tris[4-(dimethylamino)phenyl]methylium; Crystal-violet; EINECS 238-398-5; Bis(p-(dimethylamino)phenyl)(p-(dimethylammonio)phenyl)methylium; Spectrum_000829; (4-(4,4'-Bis(dimethylamino)benzhydrylidene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium chloride; Spectrum2_001088; Spectrum3_000442; Spectrum4_000564; Spectrum5_000754; Crystal Violet ion(1+); SCHEMBL94116; BSPBio_002084; KBioGR_000968; KBioSS_001309; DivK1c_000031; SPBio_001136; CHEMBL459265; KBio1_000031; KBio2_001309; KBio2_003877; KBio2_006445; KBio3_001304; DTXSID10873000; NINDS_000031; BDBM50052802; STL257078; ZINC13763987; AKOS005208606; DB00406; MCULE-8035197748; IDI1_000031; NCGC00091112-03; NCGC00091112-04; NCGC00091112-05; NCGC00091112-06; NCGC00091112-07; NCGC00091112-08; Methanaminium, N-(4-(bis(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-; NCI60_002648; SBI-0051393.P003; AB00443808-03; AB00443808_05; AB00443808_06; A845487; BRD-K60025295-003-02-5; BRD-K60025295-003-03-3; Q63390508; [4-[bis(4-dimethylaminophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium; [4-[bis[4-(dimethylamino)phenyl]methylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium; [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium; 4-{bis[4-(dimethylamino)phenyl]methylene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium; Dimethyl[4-[bis[4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dienylidene]aminium; N-(4-(bis(4-(dimethylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	271967	.	.	.	.	372.5	C25H30N3+	9.5	542	4.9	28	0	2	4	"InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1"	CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C	LGLFFNDHMLKUMI-UHFFFAOYSA-N
DG50094	Aspergillin	3477	"Aspergillin; NSC102866; NSC 102866; CHEMBL1972524; SCHEMBL14986985; BCBcMAP01_000033; NSC77672; NSC 77672; NSC-77672; NSC-102866; SMP1_000141; NCI60_000081; S-82; SN 12870; FT-0701681; S. N. 12870; 10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione,2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-; 10H-3,10a-Epidithiopyrazino[1,2-a]indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-, [3R-(3.alpha.,5a.beta.,6.beta.,10a.alpha.)]-; 10H-3,2-a]indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-, [3R-(3.alpha.,5a.beta.,6.beta.,10a.alpha.)]-; 10H-3,2-a]indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-,(3R,5aS,6S,10aR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102866	.	.	.	.	326.4	C13H14N2O4S2	132	621	-0.7	21	2	6	1	"InChI=1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3"	CN1C(=O)C23CC4=CC=CC(C4N2C(=O)C1(SS3)CO)O	FIVPIPIDMRVLAY-UHFFFAOYSA-N
DG50095	Gossypol	3503	"gossypol; 303-45-7; (-)-Gossypol; 90141-22-3; Pogosin; (+)-Gossypol; Tash 1; (R)-Gossypol; (R)-(-)-Gossypol; AT 101; Gossypol solution; No Fertil; 7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde; (+/-)-Gossypol; BL 193; 1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde; 20300-26-9; NSC 56817; AT101; C30H30O8; NSC56817; BRN 1917878; CHEMBL51483; 303-45-7 (free); 2,2'-bi[8-Formyl-1,6,7-trihydroxy-5-isopropyl-3-methylnaphthalene]; 2,2'-Bis(1,6,7-trihydroxy-3-methyl-5-isopropyl-8-aldehydonaphthalene); MFCD00017352; NSC-56817; NSC624336; NSC-624336; NCGC00016423-03; CAS-303-45-7; racemic-Gossypol; DSSTox_CID_3110; DSSTox_RID_76879; DSSTox_GSID_23110; [2,2'-Binaphthalene]-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-; 4-08-00-03754 (Beilstein Handbook Reference); 7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-yl)naphthalen-2-yl]-2,3,8-trihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1-carbaldehyde; (+-)-Gossypol; (2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-; 7-(8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl)-2,3,8-trihydroxy-4-isopropyl-6-methyl-naphthalene-1-carbaldehyde; Gossypol Sodium Salt; CCRIS 2689; Gissypol, (R)-; NSC-19048; Sodium Salt, Gossypol; Gossypol, (+)-Isomer; Gossypol, (-)-Isomer; SR-01000597521; Gossypol Dipotassium Salt; UNII-XNA7DR63CQ; Gossypol, (+-)-Isomer; Dipotassium Salt, Gossypol; UNII-8DY2X8LXW4; NSC 624336; ssypol; UNII-KAV15B369O; Thespesin; AI3-22957; HSDB 7872; Gossypol, 4; Prestwick_1031; Gossypol, (R)-; Gossypol, (S)-; Pogosin; AT101; Spectrum_000359; Spectrum_001521; Tocris-1964; ST065835; SpecPlus_000602; Prestwick0_000677; Prestwick1_000677; Prestwick2_000677; Prestwick3_000677; Spectrum2_001472; Spectrum2_001624; Spectrum3_001102; Spectrum3_001516; Spectrum4_000846; Spectrum4_001931; Spectrum5_000693; Spectrum5_001035; 8-Formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2,2'-bisnaphthalene; Gossypol from cotton seeds; XNA7DR63CQ; UPCMLD-DP103; NCIMech_000271; cid_3503; SCHEMBL3939; 8DY2X8LXW4; BSPBio_000773; BSPBio_002804; BSPBio_003191; KBioGR_001451; KBioGR_002303; KBioSS_000839; KBioSS_002001; (2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-, (-)-; (2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-, (+)-; MLS000028490; DivK1c_000173; DivK1c_006698; SPECTRUM1504019; SPBio_001423; SPBio_001687; SPBio_002694; BPBio1_000851; cid_227456; GTPL4204; KAV15B369O; DTXSID5023110; UPCMLD-DP103:001; UPCMLD-DP103:002; BDBM23223; BDBM46555; KBio1_000173; KBio1_001642; KBio2_000839; KBio2_002001; KBio2_003407; KBio2_004569; KBio2_005975; KBio2_007137; KBio3_002024; KBio3_002691; EX-A068; NINDS_000173; HMS1570G15; HMS2097G15; HMS3262J15; HMS3268O22; HMS3413L10; HMS3651C18; HMS3677L10; HMS3868F13; (+/-)-Gossypol from cotton seeds; ALBB-033351; BCP03607; ZINC3775575; Tox21_110434; Tox21_500847; BL-193; CCG-35400; NSC726190; NSC728875; s6852; STK063457; (2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahyd; AKOS002140475; Tox21_110434_1; AT25344; BCP9000332; DB13044; LMPR0103330002; LP00847; MCULE-2539927675; NSC 726190; NSC-726190; NSC-728875; SB17342; SDCCGSBI-0051726.P004; IDI1_000173; SMP2_000170; NCGC00016423-01; NCGC00016423-02; NCGC00016423-04; NCGC00016423-05; NCGC00016423-06; NCGC00016423-07; NCGC00016423-08; NCGC00016423-09; NCGC00016423-10; NCGC00016423-12; NCGC00016423-14; NCGC00016423-15; NCGC00016423-17; NCGC00016423-34; NCGC00025331-01; NCGC00025331-02; NCGC00025331-03; NCGC00025331-04; NCGC00025331-06; NCGC00025331-07; NCGC00261532-01; (2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-; 7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(methylethyl)(2-naphthyl)]-2,3,8-trihy droxy-6-methyl-4-(methylethyl)naphthalenecarbaldehyde; AC-20251; AC-30274; AC-34521; AS-55885; BP-25397; HY-13407; HY-15464; NCI60_001588; NCI60_004391; SMR000058386; BCP0726000183; DB-047766; AB00052921; FT-0631917; N2135; SW197103-2; V0195; A15004; C07667; 303G457; A820340; Q411882; J-017920; SR-01000597521-1; SR-01000597521-5; SR-01000597521-6; (+/-)-Gossypol from cotton seeds, >=95% (HPLC); BRD-K19295594-001-06-9; BRD-K19295594-001-10-1; BRD-K19295594-015-02-8; ( inverted exclamation markA)-GOSSYPOL FROM COTTON SEEDS; 8-Formyl-1,7-trihydroxy-5-isopropyl-3-methyl-2,2'-bisnaphthalene; (+/-)-2,2'-bis(8-Formyl-1,6,7-trihydroxy-5-isopropyl-3-methylnaphthalene); (-)-2,2'-Bis(1,6,7-trihydroxy-3-methyl-5-isopropyl-8-aldehydonaphthalene); (2,8'-dicarboxaldehyde, 1,1',6,6'7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-; [2,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-; (+)1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)[2,2'-binaphthalene]-8,8'-dicarboxaldehyde; (-)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-[2,2'-binaphthalene]-8,8'-dicarboxaldehyde; (-)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)[2,2'-binaphthalene]-8,8'-dicarboxaldehyde; [2,8'-dicarboxaldehyde, 1,1',6,6',7,7'- hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-, (2R)-; [2,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1- methylethyl)-; [2,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-; 1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-[2,2'-binaphthalene]-8,8'-dicarboxaldehyde; 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-2,2'-binaphthalene-8,8'-dicarbaldehyde; 1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)[2,2'-binaphthalene]-8,8'-dicarboxaldehyde; 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)-2,2'-binaphthalene-8,8'-dicarbaldehyde; 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarbaldehyde; 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthyl-8,8'-dicarbaldehyde; 1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl[2,2'-binaphthalene]-8,8'-dicarbaldehyde; 1,1',6,6'-Tetrahydroxy-3,3'-dimethyl-5,5'-diisopropyl-8,8'-bis(hydroxymethylene)-2,2'-binaphthalene-7,7'(8H,8'H)-dione; 7-(8-Formyl-1,6,7-trihydroxy-3-methyl-5-(methylethyl)(2-naphthyl))-2,3,8-trihydroxy-6-methyl-4-(methylethyl)naphthalenecarbaldehyde; acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-yl-2-naphthalenyl)-2,3,8-trihydroxy-6-methyl-4-propan-2-yl-1-naphthalenecarboxaldehyde; acetic acid;7-(8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl)-2,3,8-trihydroxy-4-isopropyl-6-methyl-naphthalene-1-carbaldehyde; ethanoic acid;7-[8-methanoyl-3-methyl-1,6,7-tris(oxidanyl)-5-propan-2-yl-naphthalen-2-yl]-6-methyl-2,3,8-tris(oxidanyl)-4-propan-2-yl-naphthalene-1-carbaldehyde; Pogosin; ; ; AT-101; ; ; 7-(8-Formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56817	.	.	.	.	518.6	C30H30O8	156	780	6.9	38	6	8	5	"InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3"	CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O	QBKSWRVVCFFDOT-UHFFFAOYSA-N
DG50096	Gris-PEG	3512	"Gris-PEG; (+)-Griseofulvin; Fulvicin; Polygris; Gricin; Griseo; Grifulvin V; 6915-11-3; 78739-00-1; Griseostatin; Grisovin; Grisowen; MLS000028436; NSC34533; 7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione; SMR000058317; Delmofulvina; Fulvistatin; Griscofulvin; Fulcine; Fulvina; Fulvinil; Fungivin; Greosin; Gresfeed; Grifulin; Grisetin; Guservin; Murfulvin; Xuanjing; 7-chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione; Fulvicin Bolus; Neo-Fulcin; Biogrisin-FP; Fulvican grisactin; Griseofulvin-forte; Fulvicin-P/G; Fulvicin-U/F; 7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione; Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (1'S,6'R)-; Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (1'S-trans)-; USAF SC-2; Likunden; Sporostatin xan; NSC 34533; NSC-34533; Grisovin FP; Spiro[benzofuran-2(3H),4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl; Griseofulvin, (+)-; Opera_ID_606; BUTYLAMINEHYDROCHLORIDE; Oprea1_256659; 7-Chloro-4,6,2'-trimethoxy-6'-methylgris-2'-en-3,4'-dione; MLS001148597; MLS001183742; SCHEMBL686362; CHEMBL1369825; HMS1607K07; HMS2231B24; HMS3369L02; Fulvidex (Veterinary) (Salt/Mix); BCP19165; BCP19308; NSC41728; BBL005655; MFCD00067093; NSC-41728; STK177238; AKOS000715079; MCULE-8628846302; NCGC00017237-03; NCGC00017237-04; NCGC00017237-06; NCGC00089777-02; 7-chloro-4,6,12-trimethoxy-14-methylspiro[2-hydrobenzo[b]furan-2,4'-cyclohexan e]-11-ene-3,10-dione; AC-32026; NCI60_003070; SY071186; VS-01589; FT-0603329; Gris-PEG; Grifulvin pound>>Griseofulvin pound>>Fulvicin-U-F; 2',4,6-Trimethoxy-6'-methyl-7-chlorospiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione; 3-(5-Methyl-[1,3,4]thiadiazol-2-ylsulfanylmethyl)-8-oxo-7-(2-tetrazol-1-yl-acety; 7-Chloro-2',4,6-trimethoxy-6'-methyl-spiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione; 7-Chloro-2',4,6-trimethoxy-6'.beta.-methylspiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione; Spiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-; Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'.beta.-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34533	.	.	.	.	352.8	C17H17ClO6	71.1	575	2.2	24	0	6	3	"InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3"	CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC	DDUHZTYCFQRHIY-UHFFFAOYSA-N
DG50097	"6-Bromo-3-(bromomethyl)-2,3,7-trichloro-7-methyloct-1-ene"	3558	"NSC662825; 58086-84-3; 6-bromo-3-(bromomethyl)-2,3,7-trichloro-7-methyloct-1-ene; HALOMON (RACEMIC); Neuro_000386; (+)-6-Bromo-3-bromomethyl-2,7-trichloro-7-methyl-1-octene; SCHEMBL6265894; CHEMBL1966017; DTXSID10973670; NSC673501; NSC673502; NSC-662825; NSC-673501; NSC-673502; NCI60_021713; NCI60_026038; NCI60_026039; (-)-6-Bromo-3-bromomethyl-2,7-trichloro-7-methyl-1-octene; 6-Bromo-2,7-trichloro-3-(bromomethyl)-7-methyl-1-octene,(mixture of diastereoisomers)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662825	.	.	.	.	401.4	C10H15Br2Cl3	0	231	5.2	15	0	0	6	"InChI=1S/C10H15Br2Cl3/c1-7(13)10(15,6-11)5-4-8(12)9(2,3)14/h8H,1,4-6H2,2-3H3"	CC(C)(C(CCC(CBr)(C(=C)Cl)Cl)Br)Cl	OVLCIYBVQSJPKK-UHFFFAOYSA-N
DG50098	Haloprogin	3561	"haloprogin; 777-11-7; Mycanden; Halotex; Mycilan; Polik; M-1028 (Meiji); 1,2,4-trichloro-5-(3-iodoprop-2-ynoxy)benzene; M 1028; 2,4,5-Trichlorophenyl iodopropargyl ether; UNII-AIU7053OWL; 3-Iodo-2-propynyl 2,4,5-trichlorophenyl ether; Ether, 3-iodo-2-propynyl 2,4,5-trichlorophenyl; Haloprogine; NSC-100071; AIU7053OWL; CHEMBL1289; HALOPROGIN (200 MG); Haloprogina; Haloproginum; NSC100071; Benzene, 1,2,4-trichloro-5-((3-iodo-2-propynyl)oxy)-; Haloprogine [INN-French]; Haloproginum [INN-Latin]; NCGC00181134-01; Haloprogina [INN-Spanish]; M-1028; 1,2,4-trichloro-5-[(3-iodoprop-2-yn-1-yl)oxy]benzene; Benzene, 1,2,4-trichloro-5-[(3-iodo-2-propynyl)oxy]-; C9H4Cl3IO; Halotex (TN); component of Halotex; EINECS 212-286-6; 2,4,5-Trichlorophenyl gamma-iodopropargil ether; 2,4,5-Trichlorophenyl-gamma-iodopropargyl ether; NSC 100071; (3-Iod-2-propinyl)-(2,4,5-trichlorphenyl)ether; BRN 1976771; 1,2,4-Trichloro-5-((3-iodoprop-2-yn-1-yl)oxy)benzene; Haloprogen; Haloprogin (JAN/USAN/INN); Haloprogin [USAN:USP:INN:JAN]; Prestwick_232; Halotex (Salt/Mix); Spectrum_001852; Ether,4,5-trichlorophenyl; SCHEMBL3649; HALOPROGIN(200MG); DSSTox_CID_26865; DSSTox_RID_81972; DSSTox_GSID_46865; KBioSS_002369; 2,4,5-Trichlorophenyl .gamma.-iodopropargyl ether; DivK1c_000762; 1,2,4-trichloro-5-[(3-iodo-2-propynyl) oxy]benzene; CHEBI:5614; Benzene,1,2,4-trichloro-5-[(3-iodo-2-propynyl)oxy]; DTXSID9046865; HMS502G04; KBio1_000762; KBio2_002365; KBio2_004933; KBio2_007501; WLN: I1UU2OR BG DG EG; NINDS_000762; HMS3713A06; BCP20218; ZINC1530649; Tox21_112741; BDBM50194601; CCG-220402; DB00793; 2,5-Trichlorophenyl iodopropargyl ether; IDI1_000762; NCGC00181134-02; NCGC00181134-04; CAS-777-11-7; Z3201; 3-Iodo-2-propynyl 2,5-trichlorophenyl ether; D00339; 2,5-Trichlorophenyl .gamma.-iodopropargil ether; 2,5-Trichlorophenyl .gamma.-iodopropargyl ether; 777H117; 1,2,4-trichloro-5-(3-iodoprop-2-ynyloxy)benzene; Q5643439; 1,2,4-Trichloro-5-(3-iodo-prop-2-ynyloxy)-benzene; Benzene,2,4-trichloro-5-[(3-iodo-2-propynyl)oxy]-; BRD-K13238168-001-01-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	100071	.	.	.	.	361.4	C9H4Cl3IO	9.2	247	4.6	14	0	1	2	"InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2"	C1=C(C(=CC(=C1Cl)Cl)Cl)OCC#CI	CTETYYAZBPJBHE-UHFFFAOYSA-N
DG50099	Hexachlorophene	3598	"hexachlorophene; 70-30-4; Hexachlorofen; Hexachlorophen; Nabac; pHisoHex; Almederm; Exofene; Fostril; Gamophene; Hexophene; Steraskin; Tersaseptic; Acigena; Dermadex; Distodin; Gamophen; Hexabalm; Hexafen; Phisodan; Septisol; Septofen; Surofene; Hexide; Steral; Turgex; Germa-Medica; Surgi-Cen; Surgi-Cin; Cotofilm; Ritosept; Hexosan; Fomac; Fesia-sin; Soy-dome; Ster-zac; Neosept V; G-Eleven; Hexachlorophane; Hexascrub; Bilevon; Phiso-Scrub; Septi-Soft; Hexa-Germ; TRICHLOROPHENE; Hexaclorofeno; Armohex; Hexachlorophenum; Compound G-11; 6,6'-Methylenebis(2,4,5-trichlorophenol); Nabac 25 ec; Staphene O; Solu-Heks; Esaclorofene; G-II; 2,2'-Methylenebis(3,4,6-trichlorophenol); At-17; Rcra waste number U132; 2,2'-methanediylbis(3,4,6-trichlorophenol); AT-7; Bis(2-hydroxy-3,5,6-trichlorophenyl)methane; Bis(3,5,6-trichloro-2-hydroxyphenyl)methane; Isobac; NCI-C02653; G-11; 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol; UNII-IWW5FV6NK2; 2,2',3,3',5,5'-Hexachloro-6,6'-dihydroxydiphenylmethane; 2,2'-Dihydroxy-3,5,6,3',5',6'-hexachlorodiphenylmethane; Phenol, 2,2'-methylenebis[3,4,6-trichloro-; 2,2'-Dihydroxy-3,3',5,5',6,6'-hexachlorodiphenylmethane; MLS000028433; SMR000058356; IWW5FV6NK2; Isobac 20; B 32; MLS002152906; CHEBI:5693; Pre-Op; 2,2'-Methylenebis[3,4,6-trichlorophenol]; Bivelon; Trisophen; Phenol, 2,2'-methylenebis(3,4,6-trichloro-; Hexaphene-LV; Hilo Flea Powder; MFCD00002171; Enditch Pet Shampoo; NCGC00091195-04; 3,3',5,5',6,6'-Hexachloro-2,2'-dihydroxydiphenylmethane; Fascol; 6,6-Methylenebis(2,4,5-trichlorophenol); Esaclorofene [DCIT]; Hexachlorofen [Czech]; Hilo Cat Flea Powder; DSSTox_CID_690; 2,4,6-trichlorophenol]; 2,5,6-trichlorophenol); Scrubteam Surgical Spongebrush; PRE-OP II; Pedigree Dog Shampoo Bar; DSSTox_RID_75738; DSSTox_GSID_20690; Hexaclorofeno [INN-Spanish]; C13H6Cl6O2; Hexachlorophenum [INN-Latin]; Caswell No. 566; Blockade Anti Bacterial Finish; AT 7; B 32 (VAN); Bis-2,5-trichlor-6-hydroxyfenylmethan; CAS-70-30-4; Methane,3,5-trichloro-6-hydroxyphenyl); B & b Flea Kontroller for Dogs Only; CCRIS 331; Bis(2-hydroxy-3,6-trichlorophenyl)methane; Bis(3,6-trichloro-2-hydroxyphenyl)methane; Phenol,2'-methylenebis[3,4,6-trichloro-; Phenol,2'-methylenebis[3,5,6-trichloro-; WLN: QR BG DG EG F1R BQ CG EG FG; HSDB 224; 2,3',5,5',6,6'-hexachlorodiphenylmethane; 2,5,6,3',5',6'-hexachlorodiphenylmethane; SR-01000721924; Brevity Blue Liquid Sanitizing Scouring Cream; En-Viron D Concentrated Phenolic Disinfectant; EINECS 200-733-8; NSC 49115; UN2875; Hexachlorophene [UN2875] [Poison]; Phenol, 2,2'-methylenebis(3,4,6-trichloro)-; RCRA waste no. U132; Brevity Blue Liquid Bacteriostatic Scouring Cream; 2,3,3',5,5'-Hexachloro-6,6'-dihydroxydiphenylmethane; EPA Pesticide Chemical Code 044901; Bis-2,3,5-trichloro-6-hydroxyfenylmethan [Czech]; Hexachlorophene (USP/INN); BRN 2064407; Bis-2,3,5-trichloro-6-hydroxyfenylmethan; AI3-02372; Hexachlorophenone; Thera-Groom Pet Shampoo for Dogs for Veterinary Use Only; 2,2'-Methylene bis(3,4,6-trichlorophenol); Hexachlorophene [USP:INN:BAN]; Bis(3,5,6-trichloro-2-hydroxyphenyl)-methane; Methane, bis(2,3,5-trichloro-6-hydroxyphenyl); KUC106447N; Methane, bis(2,3,5-trichloro-6-hydroxyphenyl)-; Phisohex (TN); KSC-19-051; Spectrum_000867; Bis-2,3,5-trichlor-6-hydroxyfenylmethan; Opera_ID_504; Spectrum2_001105; Spectrum3_000450; Spectrum4_000573; Spectrum5_000792; M0219; CHEMBL496; cid_3598; REGID_for_CID_3598; SCHEMBL15579; BSPBio_002100; KBioGR_001006; KBioSS_001347; MLS001148404; BIDD:ER0608; BIDD:GT0722; DivK1c_000630; SPECTRUM1500328; SPBio_001210; AMY389; DTXSID6020690; BDBM31712; GTPL11069; HMS501P12; KBio1_000630; KBio2_001347; KBio2_003915; KBio2_006483; KBio3_001320; NSC9887; NINDS_000630; HMS1920D07; HMS2091J13; HMS3259C19; HMS3715P21; KUC112427N; Pharmakon1600-01500328; NSC-9887; NSC49115; ZINC1530968; Tox21_111099; Tox21_201350; Tox21_302741; 0895AC; 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxy-phenyl)methyl]phenol; CCG-39768; NSC-49115; NSC757055; s4632; STK377478; AKOS005449243; Tox21_111099_1; CS-3866; DB00756; MCULE-3028228047; NC00512; NSC-757055; UN 2875; IDI1_000630; NCGC00091195-01; NCGC00091195-02; NCGC00091195-03; NCGC00091195-05; NCGC00091195-06; NCGC00091195-07; NCGC00091195-08; NCGC00256580-01; NCGC00258902-01; AS-10068; BP-30177; HY-12637; Inh 1 [PMID: 32284327]; KSC-285-117-1; SBI-0051403.P003; Hexachlorophene 5000 microg/mL in Methanol; FT-0626955; 2,2'-Methylenebis(3,4,6-trichlorophenol); ; bis(3,5,6-trichloro-2-hydroxy phenyl)methane; Bis-(2-hydroxy-3,5,6-trichlorophenyl)methane; C08039; D00859; MLS-0072923.0001; AB00052010_17; Bis[3,4,6-trichlorophenol], 2,2'-methylene-; Hexachlorophene 5000 microg/mL in Dichloromethane; Hexachlorophene, PESTANAL(R), analytical standard; Q425362; SR-01000721924-2; SR-01000721924-5; SR-01000721924-6; BRD-K99792991-001-02-6; BRD-K99792991-001-18-2; Hexachlorophene, United States Pharmacopeia (USP) Reference Standard; 139411-96-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757055	.	.	.	.	406.9	C13H6Cl6O2	40.5	328	7.5	21	2	2	2	"InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2"	C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl	ACGUYXCXAPNIKK-UHFFFAOYSA-N
DG50101	Hinokitiol	3611	"hinokitiol; beta-Thujaplicin; 499-44-5; 4-Isopropyltropolone; Hinokitol; beta-Thujaplicine; THUJAPLICIN, BETA; Tropolone, 4-isopropyl-; 2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one; beta-Isopropyltropolon; Isopropyltropolone; 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-; .beta.-Thujaplicin; beta-Isopropyltropolone; .beta.-Isopropyltropolon; b-Thujaplicin; 2-Hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-one; UNII-U5335D6EBI; NSC 18804; .beta.-Thujaplicine; 2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one; NSC18804; 2-Hydroxy-4-isopropyl-2,4,6-cyclohepta-2,4,6-trien-1-one; CHEMBL48310; MLS001048906; 2-hydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one; Hinokitiol 4-Isopropyltropolone; U5335D6EBI; 2-Hydroxy-4-(1-methylethyl)-2,4,6-cycloheptatrien-1-one; CHEBI:10447; SMR000387099; 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-4-ISOPROPYL-; EINECS 207-880-7; BRN 2045206; ss-Thujaplicine; AI3-28398; beta -thujaplicin; beta -thujaplicine; 6-Isopropyl-tropolon; Thujaplicin, .beta.; 2-hydroxy-4-isopropyl- 2,4,6-cycloheptatriene-1-one; 4-isopropyl-tropolone; beta -isopropyltropolon; beta-Thujaplicin, 99%; 4(6)-Isopropyltropolone; NCIMech_000141; cid_3611; BSPBio_001025; KBioGR_000365; KBioSS_000365; 4-08-00-00488 (Beilstein Handbook Reference); BIDD:ER0491; SCHEMBL158795; SPECTRUM1505160; 2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one; DTXSID6043911; BDBM79632; FUWUEFKEXZQKKA-UHFFFAOYSA-; KBio2_000365; KBio2_002933; KBio2_005501; KBio3_000709; KBio3_000710; WLN: L7VJ BQ DY1&1; AMY3994; Bio2_000343; Bio2_000823; HMS1362C07; HMS1792C07; HMS1990C07; HMS2269D23; HMS3403C07; HY-B2230; BBL036671; BDBM50330794; CCG-35378; MFCD00040180; NSC-18804; s4771; STL559050; ZINC95911093; AKOS015895184; AKOS037515521; CS-7724; KS-5297; IDI1_002098; QTL1_000044; NCGC00094565-01; NCGC00094565-02; NCGC00094565-03; NCGC00094565-04; NCGC00094565-05; NCGC00179338-01; NCI60_001565; DB-051705; FT-0603426; H0142; V0549; C09904; C75327; D04876; beta-Thujaplicin, SAJ special grade, >=99.0%; 2-Hydroxy-4-isopropyl-2,6-cycloheptatrien-1-one; 2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone; 2-Hydroxy-6-isopropyl-2,4,6-cycloheptene-1-one; 499H445; A923788; SR-01000737397; 2,6-Cycloheptatrien-1-one, 2-hydroxy-4-isopropyl-; 2-hydroxy-4-isopropyl-cyclohepta2,4,6-trien-1-one; J-521461; Q2705171; SR-01000737397-2; 2-Hydroxy-4-isopropyl-2,4, 6-cycloheptatrien-1-one; 2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trien-1-one; BRD-K37691127-001-02-2; 2-hydroxy-6-propan-2-yl-1-cyclohepta-2,4,6-trienone; 2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one; Z2671848059; 2,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-; (2E,4Z,6Z)-2-hydroxy-4-isopropylcyclohepta-2,4,6-trienone; 2-Hydroxy-4(6)-(1-methylethyl)-2,4,6-cycloheptatrien-1-one, 9CI"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18804	.	.	.	.	164.2	C10H12O2	37.3	280	2.1	12	1	2	1	"InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)"	CC(C)C1=CC(=O)C(=CC=C1)O	FUWUEFKEXZQKKA-UHFFFAOYSA-N
DG50102	Hexamethylene bisacetamide	3616	"3073-59-4; Hexamethylene bisacetamide; Hexamethylenebisacetamide; N,N'-(Hexane-1,6-diyl)diacetamide; N,N'-Hexamethylenebisacetamide; N,N'-DIACETYL-1,6-DIAMINOHEXANE; Hexamethylenediacetamide; N-(6-acetamidohexyl)acetamide; N,N'-Diacetylhexamethylenediamine; NSC-95580; Acetamide, N,N'-1,6-hexanediylbis-; ACETAMIDE, N,N'-HEXAMETHYLENEBIS-; NSC 95580; N-[6-(Acetylamino)hexyl]acetamide; UNII-LA133J59VU; n,n'-hexamethylenebis(acetamide); NSC95580; MLS000069460; LA133J59VU; N,N'-hexane-1,6-diyldiacetamide; N, N'-Diacetylhexamethylenediamine; MFCD00008684; diacetyldiaminohexane; SMR000059046; N-(6-(Acetylamino)hexyl)acetamide; CCRIS 7677; N,N'-1,6-Hexanediylbisacetamide; BRN 1775764; Hexabid; N,N'-hexamethylene-bis-acetamide; N,N-Diacetyl-1,6-Diaminohexane; Hexamethylene Biscetamide; Opera_ID_1675; NCIMech_000063; hexamethylene bis(acetamide); SCHEMBL61980; 4-04-00-01331 (Beilstein Handbook Reference); MLS000758275; MLS001074182; MLS001424034; Acetamide,N'-hexamethylenebis-; CHEMBL291481; DTXSID2041044; N,N'-Hexamethylenebis-Acetamide; N-{6-[(1-hydroxyethylidene)amino]hexyl}ethanimidic acid; Acetamide,N'-1,6-hexanediylbis-; CHEBI:125472; HMS2051E17; HMS2231F06; HMS3371N10; HMS3393E17; N,N'-Hexamethylene bis(acetamide); N,N'-1,6-Hexanediylbis-Acetamide; ZINC1615894; Acetamide,N,N'-1,6-hexanediylbis-; CCG-35337; STL282666; AKOS003422084; Acetamide, N,N'-1, 6-hexanediylbis-; MCULE-8416060174; NC00059; NCGC00018146-01; NCGC00018146-02; NCGC00018146-03; AMY202003295; AS-62044; N,N'-Hexamethylene bis(acetamide), 98%; NCI60_042129; CS-0086103; FT-0629398; Acetamide, N,N'-1,6-hexanediylbis- (9CI); D81997; A876102; J-018089; N-(6-(Acetylamino)hexyl)acetamide (ACD/Name 4.0); Q3732771; 5D4; N,N-Hexamethylenebis(acetamide),                                  (N,N-Diacetyl-1,6-hexadiamine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95580	.	.	.	.	200.28	C10H20N2O2	58.2	161	0.3	14	2	2	7	"InChI=1S/C10H20N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h3-8H2,1-2H3,(H,11,13)(H,12,14)"	CC(=O)NCCCCCCNC(=O)C	BNQSTAOJRULKNX-UHFFFAOYSA-N
DG50103	Ethidium	3624	"Ethidium; homidium; Novidium; Ethidium cation; 3546-21-2; UNII-EN464416SI; 3,8-Diamino-5-ethyl-6-phenylphenanthridinium; 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine; CHEBI:42478; EN464416SI; AB00053825_07; CHEMBL284328; NSC84423; NSC522843; 5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine; Phenanthridinium, 3,8-diamino-5-ethyl-6-phenyl-; BRN 3627183; Babidium; Homidium cation; Homidium ion; Spectrum_001500; Spectrum2_001587; Spectrum4_000198; Spectrum5_001263; UPCMLD-DP076; NCIMech_000529; cid_3624; Piperine & Ethidium bromide; NCIOpen2_009324; 3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium; Reserpine & Ethidium bromide; SCHEMBL27609; KBioGR_000775; KBioSS_001980; 5-22-11-00352 (Beilstein Handbook Reference); CHEMBL48166; DivK1c_000940; SPBio_001554; GTPL4569; DTXSID9048487; UPCMLD-DP076:001; KBio1_000940; KBio2_001980; KBio2_004548; KBio2_007116; NINDS_000940; BDBM200295; ZINC119632; BDBM50105463; CCG-35561; MCULE-8317114203; RD-1572; IDI1_000940; NCGC00091387-03; NCGC00091387-04; NCGC00091387-05; NCGC00091387-06; NCI60_002180; NCI60_041857; SBI-0051843.P002; Q27077234"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84423	.	.	.	.	314.4	C21H20N3+	55.9	419	4.2	24	2	2	2	"InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1"	CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N	QTANTQQOYSUMLC-UHFFFAOYSA-O
DG50104	Hydroxychloroquine	3652	"hydroxychloroquine; 118-42-3; Plaquenil; Oxichloroquine; Hidroxicloroquina; Hydroxychloroquinum; oxichlorochine; Polirreumin; WIN 1258; 2-((4-((7-Chloro-4-quinolyl)amino)pentyl)ethylamino)ethanol; 2-((4-((7-Chloroquinolin-4-yl)amino)pentyl)(ethyl)amino)ethanol; 7-Chloro-4-(4-(ethyl(2-hydroxyethyl)amino)-1-methylbutylamino)quinoline; Oxychlorochin; CHEBI:5801; 2-(N-(4-(7-Chlor-4-chinolylamino)-4-methylbutyl)ethylamino)ethanol; 7-Chloro-4-(4-(N-ethyl-N-beta-hydroxyethylamino)-1-methylbutylamino)quinoline; Oxichlorochinum; 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol; HCQ; 2-[{4-[(7-chloroquinolin-4-yl)amino]pentyl}(ethyl)amino]ethanol; 7-Chloro-4-(5-(N-ethyl-N-2-hydroxyethylamino)-2-pentyl)aminoquinoline; NSC4375; Ethanol, 2-((4-((7-chloro-4-quinolinyl)amino)pentyl)ethylamino)-; MFCD00242707; Idrossiclorochina [DCIT]; Ethanol, 2-[[4-[(7-chloro-4-quinolinyl)amino]pentyl]ethylamino]-; Idrossiclorochina; 2-({4-[(7-chloroquinolin-4-yl)amino]pentyl}(ethyl)amino)ethan-1-ol; Hidroxicloroquina [INN-Spanish]; Hydroxychloroquinum [INN-Latin]; Hydroxychloroquine [INN:BAN]; 2-[[4-[(7-chloroquinolin-4-yl)amino]pentyl](ethyl)amino]ethanol; 2-{N-[4-(7-Chloro-4-quinolylamino)pentyl]-N-ethylamino}ethanol; Ethanol, 2-((4-((7-chloro-4-quinolyl)amino)pentyl)ethylamino)-; 7-chloro-4-[4-(N-ethyl-N-beta-hydroxyethylamino)-1-methylbutylamino]quinoline; 7-chloro-4-[5-(N-ethyl-N-2-hydroxyethylamino)-2-pentyl]aminoquinoline; Polirreumin (TN); NCGC00159483-02; Hydroxychloroquine (INN); EINECS 204-249-8; HYDROXY CHLOROQUINE; BRN 0253894; Dolquine; Ethanol, 2-[[4-[(7-chloro-4-quinolyl)amino]pentyl]ethylamino]-; R-Hydroxychloroquine; Ercoquin (Salt/Mix); Ethanol, 2-[[4-[(7-chloro-4-quinolinyl)amino]pentyl]ethylamino]-, sulfate (1:1); (+-)-hydroxychloroquine; Spectrum2_001238; Spectrum5_001697; (+/-)-hydroxychloroquine; SCHEMBL8170; CHEMBL1535; 5-22-10-00280 (Beilstein Handbook Reference); (.+/-.)-Hydroxychloroquine; DivK1c_000942; SPBio_001116; GTPL7198; DTXSID8023135; HMS502P04; KBio1_000942; Win 1258-2; NINDS_000942; 2-[4-[(7-chloro-4-quinolyl)amino]pentyl-ethyl-amino]ethanol; 2-[[4-[(7-Chloro-4-quinolyl)amino]pentyl](ethyl)amino]ethanol; ALBB-022466; BCP30197; 2-({4-[(7-chloro(4-quinolyl))amino]pentyl}ethylamino)ethan-1-ol; BDBM50467780; STL429829; AKOS015997886; AT13123; CCG-208059; DB01611; DT-0016; HY-W031727; MCULE-6282304706; SB73036; IDI1_000942; NCGC00159483-03; NCGC00159483-06; M566; SY270913; SBI-0052759.P002; CS-0075751; FT-0627143; FT-0669455; FT-0669456; C07043; D08050; AB00053257_02; 118H423; Q421094; BRD-A99117172-065-01-6; BRD-A99117172-065-02-4; F2173-0553; 2-((4-(7-chloroquinolin-4-ylamino)pentyl)(ethyl)amino)ethanol; 2-[(4-[(7-Chloro-4-quinolinyl)amino]pentyl)(ethyl)amino]ethanol #; 7-chloro-4-[4-[ethyl(2-hydroxyethyl)amino]1-methylbutylamino]-quinoline; 7-chloro-4-[4-[ethyl(2-hydroxyethyl)amino]1-methylbutylamino]quinoline; 7-Chloro-4-(4-(N-ethyl-N-.beta.-hydroxyethylamino)-1-methylbutylamino)quinoline; Oxichloroquine;Oxychlorochin;2-[[4-[(7-Chloroquinolin-4-yl)amino]pentyl](ethyl)amino]ethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4375	.	.	.	.	335.9	C18H26ClN3O	48.4	331	3.6	23	2	4	9	"InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)"	CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO	XXSMGPRMXLTPCZ-UHFFFAOYSA-N
DG50106	Hypericin	3663	"hypericin; 548-04-9; Hypericum red; hipericina; hypericine; Hyperizin; Cyclosan; Mycoporphyrin; 1,3,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione; Hypericin (SGX301); Cyclo-Werol; Hypericum Extract; VIMRxyn; UNII-7V2F1075HD; NSC407313; Hypericin & Visible light; 7V2F1075HD; MFCD00016683; NSC622946; Cyclo werrol; 5,7,11,18,22,24-hexahydroxy-13,16-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione; 4,5,7,4',5',7'-Hexahydroxy-2,2'-dimethylnaphthodianthrone; 1,3,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro(1,10,9,8-opqra)perylene-7,14-dione; hexahydroxy(dimethyl)[ ]dione; 1:6:8:10:11:13-hexahydroxy-3:4-dimethyl-meso-naphthodianthrene-7:14-dione; Phenanthro[1,10,9,8-opqra]perylene-7,14-dione, 1,3,4,6,8,13-hexahydroxy-10,11-dimethyl-; C30H16O8; EINECS 208-941-0; NSC 407313; NSC 622946; CCRIS 8166; (component of) Hypericum spp (st. John's wort); BiomolKI_000032; 4,5,7,4',5',7'-Hexahydroxy-2,2'-dimethyl-mesonapthtodianthron; BiomolKI2_000040; SCHEMBL3182; BIDD:PXR0084; BMK1-D8; SCHEMBL10262695; DTXSID40203270; Hypericin - CAS 548-04-9; Hypericin from Hypericum perforatum; HY-N0453; ZINC3780340; BDBM50060874; CCG-36081; HSCI1_000202; LMPK13040001; AKOS015895658; AC-6048; CS-5687; MCULE-7319800130; NSC-622946; NCGC00162454-01; NCGC00163378-01; NCGC00163378-02; AS-74733; NCI60_003879; NCI60_006799; NCGC00163378-03!; FT-0627169; N2739; C07606; M01850; 548H049; A870351; SR-05000002344; Hypericin from Hypericum perforatum, ~95% (HPLC); Hypericin, primary pharmaceutical reference standard; Q-100618; SR-05000002344-2; BRD-K29673530-001-03-9; Hypericin Hypericum perforatum; Hypericin; St. John'S Wort Extract; 3,4,6,7,13,14-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-1,8-dione; 3,4,7,8,13,14-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-1,6-dione; 1,3,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione, 9CI; 1,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro [1,10,9,8-opqra]perylene-7,14-dione P-conformer; 5,7,11,18,22,24-HEXAHYDROXY-13,16-DIMETHYLOCTACYCLO[13.11.1.1(2),(1) .0(3), .0 ,(2) .0(1) ,(2) .0(2)(1),(2) .0(1) ,(2) ]OCTACOSA-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-TRIDECAENE-9,20-DIONE; Phenanthro[1,10,9,8-opqra]perylene-7,14-dione,1,3,4,6,8,13-hexahydroxy-10,11-dimethyl-, stereoisomer; Phenanthro[1,9,8-opqra]perylene-7,14-dione,1,3,4,6,8,13-hexahydroxy-10,11-dimethyl-, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407313	.	.	.	.	504.4	C30H16O8	156	1090	5.7	38	6	8	0	"InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,33-38H,1-2H3"	CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O	YDOIFHVUBCIUHF-UHFFFAOYSA-N
DG50108	Dendrid	3687	"Dendrid; Ophthalmadine; Spectanefran; Herpesil; Herpidu; Iducher; Iduviran; Synmiol; Emanil; Idexur; Idulea; Idu Oculos; Herplex liquifilm; Idoxene; Iduridin; Kerecid; Stoxil; Uridine, 5-iodo-2'-deoxy-; MLS002702846; CHEMBL268690; URIDINE, 2'-DEOXY-5-IODO-; 5-Iododesoxyuridine; 1.beta.-D-2'-Deoxyribofuranosyl-5-iodouracil; Uracil, 5-iodo-1-(2-deoxy-.beta.-D-ribofuranosyl)-; XQFRJNBWHJMXHO-UHFFFAOYSA-; 5-Iodo-deoxyuridine; NSC 39661; SKF 14287; SK&F 14287; 1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-iodo-1H-pyrimidine-2,4-dione; Iododeoxyuridine; Herpe-Gel; 5-iodo-2 inverted exclamation mark -Deoxyuridine; Gallaminetriethiodide; 5-Iodo-2 -deoxyuridine; ChemDiv1_027236; cid_3687; Oprea1_780054; SCHEMBL654667; SCHEMBL21585076; HMS664F22; HMS3369H05; HMS3655A20; NSC39661; BDBM50016788; STK673655; AKOS003631534; AKOS005593282; MCULE-3556782579; 1-(4-Hydroxy-5-hydroxymethyltetrahydrofuran-2-yl)-5-iodo-1H-pyrimidine-2,4-dione; LS-13625; NCI60_003716; SMR001330614; SY015040; WLN: T6NVMVJ EI A- ET5OTJ B1Q CQ; EU-0051633; FT-0620507; FT-0670277; FT-0670278; VU0489326-1; AB00674532-01; 1-(2-Deoxy-.beta.-D-ribofuranosyl)-5-iodouracil; SR-01000517285; SR-01000517285-1; 1-(2-deoxypentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one; 1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-iodo-1H-pyrimidine-2,4-dione (IDU); 1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-iodo-1H-pyrimidine-2,4-dione( IDU); 1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-iodo-1H-pyrimidine-2,4-dione(IDU); 1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-iodo-1H-pyrimidine-2,4-dione(IdUrd); 1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-iodo-1H-pyrimidine-2,4-dione (c-5-iodo-2-deoxyuridine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39661	.	.	.	.	354.1	C9H11IN2O5	99.1	386	-1	17	3	5	2	"InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)"	C1C(C(OC1N2C=C(C(=O)NC2=O)I)CO)O	XQFRJNBWHJMXHO-UHFFFAOYSA-N
DG50110	Indirubin-3'-monoxime	3707	"INDIRUBIN-3'-MONOXIME; indirubin-3'-oxime; 160807-49-8; Indirubin-3-monoxime; indirubin-3-oxime; Indirubin-3monoxime; 3-[3-(Hydroxyamino)-1H-indol-2-yl]indol-2-one; Indirubin 3'-monoxime; Indirubin 3-oxime; CHEBI:43645; indirubin-3'-monooxime; 667463-82-3; CHEMBL126077; CHEMBL216543; (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME; 3-(Hydroxyimino)-[2,3'-biindolinylidene]-2'-one; MFCD02683594; 3-[1,3-dihydro-3-(hydroxyimino)-2H-indol-2-ylidene]-1,3-dihydro-2H-indol-2-one; (2Z,3E)-3-(Hydroxyimino)-[2,3'-biindolinylidene]-2'-one; Indirubin-3 inverted exclamation marka-oxime; UNM-0000305771; 1H,1'H-[2,3']biindolylidene3,2'-dione-3-oxime; IXM; SR-01000075929; Indirubin-3; Indirubin-3a oxime; Tocris-1813; BiomolKI_000070; Lopac-I-0404; BiomolKI2_000074; 3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol; Lopac0_000619; BSPBio_001108; KBioGR_000448; KBioSS_000448; SCHEMBL378779; BMK1-G10; GTPL5989; SCHEMBL1574499; CHEMBL1496098; SCHEMBL12005849; SCHEMBL13046776; SCHEMBL13714093; BCBcMAP01_000150; BDBM54681; CHEBI:92352; cid_5326739; KBio2_000448; KBio2_003016; KBio2_005584; KBio3_000835; KBio3_000836; DTXSID90416111; 1q41; Bio2_000394; Bio2_000874; HMS1362H09; HMS1792H09; HMS1990H09; HMS3229C06; HMS3260M14; HMS3268I10; HMS3403H09; HMS3412J10; HMS3676J10; BCP14390; Tox21_500146; 1800AH; BDBM50132003; BDBM50166289; HSCI1_000200; NSC717829; s2009; ZINC18279871; AKOS015910263; AKOS024456796; AKOS030241899; AKOS037647459; ZINC100001998; ZINC100116081; ZINC100382229; ZINC299888368; ZINC299888369; CCG-100674; CS-5425; DB02052; Indirubin-3-monoxime;Indirubin-3-oxime; LP00146; NSC-717829; SDCCGSBI-0050601.P003; 2H-Indol-2-one, 3-[1,3-dihydro-3-(hydroxyimino)-2H-indol-2-ylidene]-1,3-dihydro-; IDI1_002149; NCGC00015545-01; NCGC00015545-02; NCGC00015545-03; NCGC00015545-04; NCGC00015545-05; NCGC00015545-06; NCGC00015545-07; NCGC00015545-08; NCGC00025304-01; NCGC00025304-02; NCGC00025304-03; NCGC00025304-04; NCGC00025304-05; NCGC00260831-01; AC-30025; AS-73725; BS-51837; HY-19807; NCI60_040633; HY-139254; B6865; CS-0182654; EU-0100619; FT-0670332; Indirubin-3'-oxime, >=98% (HPLC), solid; I 0404; Indirubin-3 inverted exclamation mark -monoxime; K00076; Indirubin-3'-monoxime - CAS 160807-49-8; 3-[3-(hydroxyamino)-1H-indol-2-yl]-2-indolone; 3-[3-(oxidanylamino)-1H-indol-2-yl]indol-2-one; A927883; 3-(3-(hydroxyimino)indolin-2-ylidene)indolin-2-one; J-009757; SR-01000075929-1; SR-01000075929-3; BRD-K19136521-001-01-4; BRD-K53959060-001-01-3; Q27078054; Q27461594; (2Z)-2-(2-Oxoindoline-3-ylidene)indoline-3-one oxime; 1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-oxime; 3-[3-(hydroxyamino)-1H-indol-2-yl]-2H-indol-2-one; (2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-oxime; (2E,3E)-3-(hydroxyimino)-[2,3'-biindolinylidene]-2'-one; (3Z)-3-[(3E)-3-hydroxyiminoindolin-2-ylidene]indolin-2-one; (Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-oxime; 1H,1''''H-[2,3'''']Biindolylidene-3,2''''-dione 3-oxime; (Z)-1H,1''''H-[2,3'''']Biindolylidene-3,2''''-dione 3-oxime; 3-(hydroxyimino)-1',2'-dihydro-1H,3H-[2,3'-biindolyliden]-2'-one; (3Z)-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-1,3-dihydro-2H-indol-2-one; 2H-Indol-2-one, 3-[1,3-dihydro-3-(hydroxyamino)-2H-indol-2-ylidene]-1,3-dihydro-, (3Z)-; 3-[(3E)-3-(HYDROXYIMINO)-2,3-DIHYDRO-1H-INDOL-2-YLIDENE]-2,3-DIHYDRO-1H-INDOL-2-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717829	.	.	.	.	277.28	C16H11N3O2	81.2	405	3.2	21	3	3	1	"InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H"	C1=CC=C2C(=C1)C(=C(N2)O)C3=C(C4=CC=CC=C4N3)N=O	FQCPPVRJPILDIK-UHFFFAOYSA-N
DG50111	Iodoquinol	3728	"iodoquinol; 83-73-8; Diiodohydroxyquinoline; 5,7-diiodoquinolin-8-ol; 5,7-Diiodo-8-hydroxyquinoline; 5,7-Diiodo-8-quinolinol; Diiodoquin; DIIODOHYDROXYQUIN; Diodoquin; Yodoxin; Lanodoxin; Searlequin; Sebaquin; 8-Quinolinol, 5,7-diiodo-; Ioquin; Zoaquin; Diodohydroxyquin; Dijodoxichinoline; Enterodiamoebin; Diamoebin; Dinoleine; Diodoquine; Diodoxylin; Direxiode; Disoquin; Embequin; Enterosept; Floraquin; Fluoraquin; Moebiquin; Quinadome; Dyodin; Di-quinol; Stanquinate; Rafamebin; 5,7-Diiodo-oxine; Ioquin suspension; Dijodoxichinolinum; 8-Hydroxy-5,7-diiodoquinoline; 5,7-Diodo-8-quinolinol; Diodoxyquinoleine; Diiodoidrossichinolina; Panaquin; Diiodohidroxiquinoleina; Diiodohydroxyquinoleine; Diiodohydroxyquinolinum; SS 578; NSC 8704; UNII-63W7IE88K8; 5,7-Diiod-8-chinolinol [IUPAC]; MLS000069404; CHEBI:5950; 63W7IE88K8; NSC-8704; MMV002817; NCGC00018098-04; SMR000059090; DSSTox_CID_3155; DSSTox_RID_76894; Diiodohydroxyquinoline (INN); Diiodohydroxyquinoline [INN]; DSSTox_GSID_23155; C9H5I2NO; Caswell No. 354; Iodoquinol;5,7-Diiodo-8-hydroxyquinoline;5,7-Diiodo-8-quinolinol; CAS-83-73-8; Diiodoidrossichinolina [DCIT]; HSDB 3224; SR-01000002969; Diiodohydroxyquinolinum [INN-Latin]; Iodoquinol [USAN:USP]; Diiodohydroxyquinoleine [INN-French]; EINECS 201-497-9; 5,7-Diiod-8-chinolinol; Diiodohidroxiquinoleina [INN-Spanish]; EPA Pesticide Chemical Code 024003; BRN 0153639; Searlewuin; Meobiquin; Enterodiamoebine; AI3-16443; 5,7-Diiodooxine; component of Vytone; Iodoquinol (USP); Yodoxin (TN); MFCD00006789; Spectrum_000943; 8-Quinolinol,7-diiodo-; Spectrum2_001041; Spectrum3_000470; Spectrum4_000020; Spectrum5_000872; 4,7-Diiodo-8-quinolinol; bmse000836; EC 201-497-9; cid_3728; SCHEMBL3460; BSPBio_002180; CBDivE_011080; KBioGR_000399; KBioSS_001423; ksc-8-193; CHEMBL86754; DivK1c_000119; SPECTRUM1500353; SPBio_000962; DTXSID6023155; 5,7-bis(iodanyl)quinolin-8-ol; BDBM66035; HMS500F21; KBio1_000119; KBio2_001423; KBio2_003991; KBio2_006559; KBio3_001400; UXZFQZANDVDGMM-UHFFFAOYSA-; NSC8704; NINDS_000119; WLN: T66 BNJ GI II JQ; HMS1920H05; HMS2091N15; HMS2230G24; HMS3369C20; KUC105860N; Pharmakon1600-01500353; HY-B1400; ZINC3830942; Tox21_110823; CCG-40132; NSC757077; s4565; SS-578; STK070581; AKOS000120804; Tox21_110823_1; 5,7-Diiodo-8-hydroxyquinoline, 97%; CS-4910; DB09115; Iodoquinol (5,7-Diiodoquinolin-8-ol); MCULE-6767985681; NSC-757077; IDI1_000119; NCGC00018098-01; NCGC00018098-02; NCGC00018098-03; NCGC00018098-05; NCGC00018098-07; NCGC00018098-08; NCGC00021685-03; NCGC00021685-04; DS-17759; K494; SBI-0051417.P003; DB-056739; AM20061527; D1736; FT-0619847; C07636; D00581; F12461; AB00052024_12; AN-329/13210059; Q5276473; SR-01000002969-2; SR-01000002969-5; BRD-K75855670-001-06-8; F3034-0058; Iodoquinol, United States Pharmacopeia (USP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8704	.	.	.	.	396.95	C9H5I2NO	33.1	191	3.1	13	1	2	0	"InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H"	C1=CC2=C(C(=C(C=C2I)I)O)N=C1	UXZFQZANDVDGMM-UHFFFAOYSA-N
DG50112	"Methyl 15-(acetyloxy)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate"	3757	"NSC238181; methyl 15-(acetyloxy)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate; DTXSID80968432"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	238181	.	.	.	.	480.5	C23H28O11	166	1020	-1	34	3	11	4	"InChI=1S/C23H28O11/c1-8-5-11(25)17(27)21(3)10(8)6-12-22-7-32-23(20(30)31-4,18(28)13(26)15(21)22)16(22)14(19(29)34-12)33-9(2)24/h5,10,12-18,26-28H,6-7H2,1-4H3"	CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C)(OC5)C(=O)OC)O)O)C)O	WAYNIXHIORQRDI-UHFFFAOYSA-N
DG50113	Sporanox	3793	"itraconazole; 84625-61-6; Canditral; Itrizole; Sporanox; Traconal; Triasporin; Itraconazolum [Latin]; ITRAZOLE; Itraconazol; Candistat; Itralek; Sporamelt; Sporonox; Itrac; MLS000863291; Spherazole CR; Spherazole IR; SMR000058959; 1-(Butan-2-yl)-4-{4-[4-(4-{[2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one; 1217512-35-0; R 51211; R-51211; 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-1,2,4-triazol-3-one; 2049588-24-9; 4-(4-(4-(4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1-(sec-butyl)-1H-1,2,4-triazol-5(4H)-one; SR-01000003153; Fungitraxx; Itraconzaole; Itraconazole-d3; trans Itraconazole; NSC-759239; Itraconazole,(S); NCGC00018268-03; 252964-65-1; 4-(4-(4-(4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1-sec-butyl-1H-1,2,4-triazol-5(4H)-one; Cladosal 100; Itraconazole solution; Opera_ID_902; R 51,211; SCHEMBL95627; MLS000028582; MLS000759472; MLS001148245; MLS001424065; CHEMBL64391; Itraconazole, >=98% (TLC); SCHEMBL16984893; CHEBI:94366; HMS2051K14; HMS2090M20; HMS2235M11; HMS3370P13; HMS3393K14; HMS3713B16; 4-(4-(4-(4-((2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-(sec-butyl)-2,4-dihydro-3H-1,2,4-triazol-3-one; BCP28497; BDBM50011478; DL-427; MFCD00870168; NSC754771; STL450986; AKOS000280875; AKOS022171690; CCG-100876; CCG-220567; NC00126; NSC-754771; NCGC00018268-02; NCGC00018268-05; NCGC00018268-06; NCGC00089812-03; BI164594; CS-0242228; FT-0601621; FT-0670576; I0732; J10270; O11835; AB00383031-14; 625I616; Itraconazole, Antibiotic for Culture Media Use Only; J-015921; Q-201261; SR-01000003153-5; SR-01000003153-6; Q27166205; Itraconazole, European Pharmacopoeia (EP) Reference Standard; Itraconazole, United States Pharmacopeia (USP) Reference Standard; Itraconazole for system suitability, European Pharmacopoeia (EP) Reference Standard; Itraconazole, Pharmaceutical Secondary Standard; Certified Reference Material; (+/-)-4-[4-[4-[4-[[(2R,4S)-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one; (+/-)-cis-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]-methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(1-methylpropyl)-3h-1,2,4-triazol-3-one; 2-(butan-2-yl)-4-{4-[4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754771	.	.	.	.	705.6	C35H38Cl2N8O4	101	1120	5.7	49	0	9	11	"InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3"	CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl	VHVPQPYKVGDNFY-UHFFFAOYSA-N
DG50114	Kenpaullone	3820	"kenpaullone; 142273-20-9; 9-Bromopaullone; NSC 664704; 9-Bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one; NSC-664704; 9-bromo-7,12-dihydrobenzo[2,3]azepino[4,5-b]indol-6(5H)-one; 9-Bromopaullone;NSC-664704; NSC664704; MLS002702152; CHEMBL296586; 9-Bromo-7,12-dihydroindolo(3,2-d)(1)benzazepin-6(5H)-one; Indolo[3,2-d][1]benzazepin-6(5H)-one, 9-bromo-7,12-dihydro-; MFCD02683595; 9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one; 9-Bromo-7,12-dihydro-indolo[3,2-d][1]benzazepin-6(5H)-one; SR-01000075952; Bromo Paullone; Paullone Analog 5; Kinome_3565; Tocris-1398; Kenpaullone, >=98%; BiomolKI_000072; Lopac-K-3888; BiomolKI2_000076; NCIMech_000735; cid_3820; Lopac0_000647; SCHEMBL79889; NSC-664704(Kenpaullone); BDBM7266; GTPL6000; STO175; CHEBI:92658; DTXSID10161994; EX-A702; BCPP000195; HMS3229K10; HMS3262A15; HMS3267F14; HMS3412M10; HMS3650F17; HMS3676M10; 9-Bromo-7,12-dihydro-indolo-[3,2-d]-[1]benzazepin-6(5H)-one; BCP02440; ZINC1639355; Tox21_500647; CCG-35778; CCG-36383; HSCI1_000038; s7917; AKOS024456573; BCP9000809; CS-5049; Indolo[3, 9-bromo-7,12-dihydro-,; LP00647; SDCCGSBI-0050627.P004; Kenpaullone - CAS 142273-20-9; SMP2_000306; NCGC00015582-01; NCGC00015582-02; NCGC00015582-03; NCGC00015582-04; NCGC00015582-05; NCGC00015582-06; NCGC00015582-18; NCGC00025143-01; NCGC00025143-02; NCGC00025143-03; NCGC00025143-04; NCGC00261332-01; AC-32896; AS-70762; HY-12302; NCI60_022295; SMR001456311; B6720; BB 0301260; EU-0100647; FT-0670607; K0052; X5716; F17055; K 3888; K00061; J-007630; J-521618; SR-01000075952-1; SR-01000075952-3; SR-01000075952-6; SR-01000075952-9; BRD-K37312348-001-04-4; BRD-K37312348-001-06-9; SR-01000075952-10; 9-bromo-7,12-dihydroindolo[3,2-d][1]-benzazepin-6(5h)-one; 8-Bromo-7,12-dihydro-indolo[3,2-d][1]-benzazepin-6(5H)-one; 14-BROMO-8,18-DIAZATETRACYCLO[9.7.0.0(2), .0(1)(2),(1) ]OCTADECA-1(11),2,4,6,12,14,16-HEPTAEN-9-ONE; 14-bromo-8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one; 14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12,14,16-heptaen-9-one; NSC-664704; 9-Bromo-7,12-dihydr9-Bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664704	.	.	.	.	327.17	C16H11BrN2O	44.9	402	3.3	20	2	1	0	"InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)"	C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)Br	QQUXFYAWXPMDOE-UHFFFAOYSA-N
DG50115	Furfuryladenosine	3832	"Furfuryladenosine; Riboside, kinetin; 6-Furfuryladenosine; Kinetin ribonucleoside; ADENOSINE, N-FURFURYL-; MLS002707095; Adenosine, N-(2-furanylmethyl)-; Ribosylkinetin; NSC 120958; CHEMBL18115; SCHEMBL217034; DTXSID20874669; (2R,3R,4S,5R)-2-[6-(furan-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol; (2R,3R,4S,5R)-2-(6-(furan-2-ylmethylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol; BCP34390; NSC120958; AKOS003382320; MCULE-8607670669; NSC-120958; NCGC00094928-01; NCGC00094928-02; SMR001574490; FT-0621143; N6-Furfuryladenosine;6-Furfurylaminopurine riboside;Ribosylkinetin; 2-{6-[(2-furylmethyl)amino]-9H-purin-9-yl}-5-(hydroxymethyl)tetrahydrofuran-3,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	120958	.	.	.	.	347.33	C15H17N5O5	139	460	0.2	25	4	9	5	"InChI=1S/C15H17N5O5/c21-5-9-11(22)12(23)15(25-9)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-24-8/h1-3,6-7,9,11-12,15,21-23H,4-5H2,(H,16,17,18)"	C1=COC(=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O	CAGLGYNQQSIUGX-UHFFFAOYSA-N
DG50116	"4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one"	3877	"MLS003373964; 141434-39-1; CIS-LAMIVUDINE; 4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one; 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; ent-Lamivudine; CHEMBL141; NSC620753; 4-Amino-1-(cis-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one; NSC-760061; Lamivudine EP Impurity D; 2'-deoxy-3'-thiacytidine; cid_60825; SCHEMBL465678; CHEMBL441594; DTXSID10274412; HMS3393D21; HMS3655K21; Pharmakon1600-01503839; BCP06203; BDBM50039162; NSC760061; STL450993; 2-(3-Chloro-phenoxy)-propionic acid; AKOS025312824; AB07588; CCG-213211; MCULE-9770521872; NSC-620753; SB60468; NCI60_006139; SMR001496981; beta-L-2'',3''-dideoxy-3''-thiacytidine; FT-0601626; FT-0650554; FT-0667900; FT-0667904; FT-0670708; (-)-beta-2'',3''-dideoxy-3''-thiacytidine; AB01563290_01; (-)-beta-L-2'',3''-dideoxy-3''-thiacytidine; 1-[2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine; F2173-0438; 4-Amino-1-((S)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one; 4-Amino-1-(2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one; (2R,CIS)-4-AMINO-1-[2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL])-(1H)PYRIMIDIN-2-ONE; (R)-4-Amino-1-((R)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one; 1-(5-Hydroxy-4-mercapto-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione; 1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-4-imino-1,4-dihydropyrimidin-2-ol; 4-Amino-1-((1S,3R)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one; 4-Amino-1-((2R,5S)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one; 4-Amino-1-((2S,5R)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one; 4-Amino-1-(2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-on(3TC,Lamivudine); 4-Amino-1-(2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one (3TC); 4-Amino-1-(2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one [(2S,5R)-BCH-189]; 4-Amino-1-(2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one [BCH-189]; 4-amino-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-1,2-dihydro-2-pyrimidinone; 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1,2-dihydropyrimidin-2-one; 4-amino-1-((2R,5S)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620753	.	.	.	.	229.26	C8H11N3O3S	113	331	-0.9	15	2	4	2	"InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)"	C1C(OC(S1)CO)N2C=CC(=NC2=O)N	JTEGQNOMFQHVDC-UHFFFAOYSA-N
DG50117	Allocor	3879	"Celanide; 17575-22-3; Celanid; Digilanide C; Lanocide-C; Desacetyllanatoside; Allocor; Lanatigen C; NSC7533; NSC-7533; NSC-119991; Card-20(22)-enolide,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3.beta.,5.beta.,12.beta.)-; MLS002207214; CHEMBL110309; SCHEMBL18223891; NSC119991; AKOS026750171; SMP1_000175; NCGC00166137-01; NCGC00166137-02; LS-15494; NCI60_041651; SMR001306767; DB-044235; FT-0630440"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7533	.	.	.	.	985.1	C49H76O20	288	1870	0.2	69	8	20	12	"InChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3"	CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O	JAYAGJDXJIDEKI-UHFFFAOYSA-N
DG50118	Lapachol	3884	"lapachol; 84-79-7; Greenhartin; Tecomin; Bethabarra wood; Lapachol wood; Taiguic acid; Taigu wood; IPE-tobacco wood; C.I. Natural Yellow 16; Greenharten; Lapachic acid; Surinam greenheart wood; Zlut prirodni 16; NSC 11905; NSC-11905; C.I. 75490; 2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthoquinone; NSC 629756; UNII-B221938VB6; 4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-dione; NSC11905; NSC629756; 2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthalenedione; 1,4-Naphthoquinone, 2-hydroxy-3-(3-methyl-2-butenyl)-; CHEBI:6377; 1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-2-butenyl)-; B221938VB6; 2-hydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione; Tecomin (VAN); Zlut prirodni 16 [Czech]; CCRIS 745; EINECS 201-563-7; BRN 2051889; Groenhartin; 2-Hydroxy-3-(3-methylbut-2-enyl)-1,4-naphthoquinone; Lapachoic acid; Lapachol, 98%; Natural Yellow- 16; 1,4-Naphthalenedione,2-hydroxy-3-(3-methyl-2-buten-1-yl)-; Spectrum2_001451; Spectrum3_000768; Spectrum5_001873; bmse000989; NCIMech_000076; DSSTox_CID_29390; DSSTox_RID_83505; DSSTox_GSID_49430; Oprea1_717083; BSPBio_002416; 4-08-00-02487 (Beilstein Handbook Reference); CHEMBL15193; DivK1c_000594; SCHEMBL157255; SCHEMBL157256; SPECTRUM1501204; SPBio_001341; DTXSID6049430; HMS501N16; KBio1_000594; KBio3_001636; NINDS_000594; HMS1921B06; HMS3869D03; AMY40588; BCP24022; HY-N6961; ZINC3873071; Tox21_202948; CCG-35464; MFCD00001679; s5684; ZINC78934733; AKOS015951424; AKOS032948320; AC-8971; ACN-036176; CI75490; CS-W020951; MCULE-9211486718; NSC-629756; SDCCGMLS-0066666.P001; CAS-84-79-7; IDI1_000594; NCGC00094931-01; NCGC00094931-02; NCGC00094931-03; NCGC00094931-04; NCGC00094931-06; NCGC00260494-01; WLN: L66 BV EVJ CQ D2UY1&1; AS-35308; NCI60_000457; NCI60_000587; 1, 2-hydroxy-3-(3-methyl-2-butenyl)-; FT-0649649; W2146; A863979; Cancer Chemother Rep (part 2) 4: 11 (1974); Q739601; SR-05000002489; 2-Hydroxy-3-(3-methyl-2-butenyl)naphthoquinone #; SR-05000002489-1; NSC-11905; NSC 11905; NSC11905; 2-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,4-dione; 3-(3-Methyl-2-butenyl)-4-hydroxy-1,2-naphthoquinone; 1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-2-butenyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11905	.	.	.	.	242.27	C15H14O3	54.4	439	2.8	18	1	3	2	"InChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,16H,8H2,1-2H3"	CC(=CCC1=C(C2=CC=CC=C2C(=O)C1=O)O)C	CWPGNVFCJOPXFB-UHFFFAOYSA-N
DG50119	Lavendustin A	3894	"Lavendustin A; 125697-92-9; UNII-3Y0G32G2RV; RG-14355; 5-[[(2,5-Dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid; 3Y0G32G2RV; CHEMBL103552; NSC 678027; RG 14355; 5-(((2,5-Dihydroxyphenyl)methyl)((2-hydroxyphenyl)methyl)amino)-2-hydroxybenzoic acid; Benzoic acid, 5-(((2,5-dihydroxyphenyl)methyl)((2-hydroxyphenyl)methyl)amino)-2-hydroxy-; RG14355; 5-((2,5-dihydroxybenzyl)(2-hydroxybenzyl)amino)-2-hydroxybenzoic acid; Benzoic acid, 5-[[(2,5-dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxy-; Lavendustin A, from Streptomyces griseolavendus; LAVENDUSTINA; BiomolKI_000009; BiomolKI2_000019; Benzoic acid,5-[[(2,5-dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxy-; CBiol_002008; BMK1-B9; BSPBio_001191; KBioGR_000531; KBioSS_000531; SCHEMBL159085; CHEBI:92413; KBio2_000531; KBio2_003099; KBio2_005667; KBio3_000961; KBio3_000962; DTXSID00154855; Bio1_000294; Bio1_000783; Bio1_001272; Bio2_000426; Bio2_000906; HMS1362K13; HMS1792K13; HMS1990K13; HMS3403K13; BCP20666; ZINC3873083; 5-Amino-((N-2,5-dihydroxybenzyl)-N -2-hydroxybenzyl)salicylic acid; BDBM50038202; NSC678027; AKOS015914247; CCG-100613; NSC-678027; 5-[(2,5-dihydroxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid; IDI1_002181; SMP2_000273; NCGC00162408-01; NCGC00162408-02; NCGC00162408-03; NCGC00162408-04; HY-18963; NCI60_027898; B6693; CS-0014682; FT-0627734; V0351; N17045; SR-05000002164; J-005265; SR-05000002164-2; BRD-K23583188-001-05-6; Q27164152; 5-amino-[(N-2,5-dihydroxybenzyl)-N'-2-hydroxybenzyl]salicylic acid; 5-amino-[(N-2,5-dihydroxybenzyl)-N''-2-hydroxybenzyl]salicylic acid; 5-[(2,5-dihydroxy-benzyl)-(2-hydroxy-benzyl)-amino]- 2-hydroxy-benzoic acid; 5-[(2,5-Dihydroxy-benzyl)-(2-hydroxy-benzyl)-amino]-2-hydroxy-benzoic acid; Benzoic acid,5-dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678027	.	.	.	.	381.4	C21H19NO6	122	517	3.7	28	5	7	6	"InChI=1S/C21H19NO6/c23-16-6-8-19(25)14(9-16)12-22(11-13-3-1-2-4-18(13)24)15-5-7-20(26)17(10-15)21(27)28/h1-10,23-26H,11-12H2,(H,27,28)"	C1=CC=C(C(=C1)CN(CC2=C(C=CC(=C2)O)O)C3=CC(=C(C=C3)O)C(=O)O)O	ULTTYPMRMMDONC-UHFFFAOYSA-N
DG50121	Lomustine	3950	"lomustine; 13010-47-4; 1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea; CCNU; Belustine; CeeNU; Cecenu; CINU; Chloroethylcyclohexylnitrosourea; Urea, N-(2-chloroethyl)-N'-cyclohexyl-N-nitroso-; Lomustina; Lomustinum; Lomustinum [INN-Latin]; Lomustina [INN-Spanish]; N-(2-Chloroethyl)-N'-cyclohexyl-N-nitrosourea; 1-(2-Chloroethyl)-3-cyclohexylnitrosourea; NSC 79037; Gleostine; Cyclohexyl chloroethyl nitrosourea; SRI 2200; NSC-79037; ICIG 1109; NCI-C04740; (Chloro-2-ethyl)-1-cyclohexyl-3-nitrosourea; RB 1509; (Cloro-2-etil)-1-cicloesil-3-nitrosourea; UNII-7BRF0Z81KG; NSC79037; Lomustine (CeeNU); 1-Nitrosourea, 1-(2-chloroethyl)-3-cyclohexyl-; CHEBI:6520; Urea, 1-(2-chloroethyl)-3-cyclohexyl-1-nitroso-; 7BRF0Z81KG; CCNU; NSC 79037; 1-(2-chloroethyl)-3-cyclohexyl-1-nitroso-urea; NCGC00167466-01; DSSTox_CID_3222; 3-(2-chloroethyl)-1-cyclohexyl-3-nitrosourea; DSSTox_RID_76930; DSSTox_GSID_23222; C9H16ClN3O2; CCRIS 860; CAS-13010-47-4; CCNU [Chloroethyl nitrosoureas]; HSDB 6519; SR-05000001497; EINECS 235-859-2; BRN 2125058; (Cloro-2-etil)-1-cicloesil-3-nitrosourea [Italian]; Lomustine [USAN:INN:BAN]; AI3-52779; Gleostine (TN); Lomustine- Bio-X; Lomustine, >=98%; Lomustine (USP/INN); CCN-U; 1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea [Chloroethyl nitrosoureas]; CHEMBL514; NCIMech_000220; SCHEMBL3995; WLN: L6TJ AMVNNO&2G; GTPL7214; DTXSID2023222; HMS2090A17; HMS3655I16; Pharmakon1600-01502301; BCP06551; ZINC3831006; Tox21_112470; BDBM50247919; MFCD00012392; NSC759635; s1840; AKOS005766022; Tox21_112470_1; AC-8062; ACN-048517; CCG-213022; CS-1461; DB01206; DS-1269; NSC-759635; NCGC00167466-02; NCGC00167466-03; BL164634; H651; HY-13669; NCI60_041743; DB-017097; AM20070540; FT-0627972; L0251; SW220040-1; C07079; D00363; AB00173884-02; AB00173884-03; AB00173884-04; AB00173884_05; AB00173884_06; 010L474; A806019; Q415378; SR-05000001497-1; SR-05000001497-3; Urea, 1-(2-chloroethyl)-3-cyclohexyl)-1-nitroso-; W-108355; Lomustine, European Pharmacopoeia (EP) Reference Standard; Lomustine, United States Pharmacopeia (USP) Reference Standard; 1-(2-Chloroethyl)-1-[(cyclohexylamino)carbonyl]-2-oxohydrazine #; 2-chloro-N-(cyclohexyl-C-hydroxycarbonimidoyl)-N-nitrosoethan-1-amine; 1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea1-(2-chloroethyl)-3-cyclohexyl-1-nitroso-urea13010-47-4NCI60_0417431-(2-Chloroethyl)-3-cyclohexylnitrosourea1-Nitrosourea, 1-(2-chloroethyl)-3-cyclohexyl-Be"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79037	.	.	.	.	233.69	C9H16ClN3O2	61.8	219	2.8	15	1	3	3	"InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)"	C1CCC(CC1)NC(=O)N(CCCl)N=O	GQYIWUVLTXOXAJ-UHFFFAOYSA-N
DG50122	Loratadine	3957	"loratadine; 79794-75-5; Claritin; Loratidine; Alavert; Clarityn; Lisino; Clarityne; Loracert; Loradex; Bonalerg; Claritine; Fristamin; Histaloran; Lertamine; Lorastine; Civeran; Loranox; Versal; Sch 29851; Anhissen; Sch-29851; ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate; UNII-7AJO3BO7QN; MFCD00672869; C22H23ClN2O2; Loratyne; Allertidin; Claratyne; Polaratyne; Restamine; Aerotina; Alerpriv; Biloina; Lesidas; Loradif; Lorantis; Loraver; Lorfast; Loritine; Lowadina; Nularef; Optimin; Sanelor; Sensibit; Sohotin; Velodan; 7AJO3BO7QN; Lergy; Pylor; Tadine; Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylate; CHEMBL998; Zeos; Sinhistan Dy; Bedix Loratadina; Talorat Dy; Claritin Reditabs; Clarinase Reperabs; MLS000069647; ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate; Loratadinum [Latin]; Claritin reditab; Loratadina [Spanish]; Clarityne-D; NSC-758628; 1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-, ethyl ester; 1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester; ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate; Children's Claritin; NCGC00015619-09; Loratadinum; Loratadina; SMR000058255; Clarityne Dy Repetabs; DSSTox_CID_3224; DSSTox_RID_76931; DSSTox_GSID_23224; Loratadine Redidose; Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate; Claritin Hives Relief; Bactimicina allergy; Claritin (TN); 1398065-63-8; ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate; Claritin Hives Relief Reditab; CAS-79794-75-5; HSDB 3578; SR-01000075968; Cronopen; Flonidan; Klaritin; loratadine-form1; Topcare childrens allergy relief; LoratadineI-p25; Loratadine,(S); Loratadine [USAN:USP:INN:BAN]; Loratadine- Bio-X; loratadine-form2-He; Spectrum_001496; Tocris-1944; LoratadineI-0deg(L13); Opera_ID_1868; Spectrum2_001584; Spectrum3_000740; Spectrum4_000177; Spectrum5_001650; Lopac-L-9664; Loratadine-d5(ethyl-d5); LoratadineI-p80(L13); L 9664; LoratadineI-m100(L13); LoratadineI-m173(L13); SCHEMBL4596; Lopac0_000680; Oprea1_027965; REGID_for_CID_3957; BSPBio_002300; KBioGR_000693; KBioSS_001976; Loratadine (JAN/USP/INN); MLS000758260; MLS001148466; MLS001423984; BIDD:GT0198; DivK1c_000792; SPECTRUM1503712; SPBio_001548; CHEBI:6538; GTPL7216; DTXSID2023224; BDBM22876; HMS502H14; KBio1_000792; KBio2_001976; KBio2_004544; KBio2_007112; KBio3_001520; NINDS_000792; HMS2051G11; HMS2090O18; HMS2093I15; HMS2235G23; HMS3262G21; HMS3268M16; HMS3371D13; HMS3393G11; HMS3412N06; HMS3654L17; HMS3676N06; HMS3714E09; Pharmakon1600-01503712; ZINC537931; Loratadine 0.1 mg/ml in Methanol; ACT04775; AMY15355; BCP22338; Tox21_110185; Tox21_301532; Tox21_500680; BBL010757; CCG-39362; DL-436; HTS028367; NSC721075; NSC758628; s1358; STK574925; AKOS005499513; Loratadine (Desloratadine Impurity E); Loratadine, >=98% (HPLC), powder; Tox21_110185_1; AB06849; AC-2086; BAY76-2211; BCP9000858; CCG-100786; CS-0887; DB00455; KS-1079; LP00680; MCULE-5073177964; NC00036; NSC 721075; NSC 758628; NSC-721075; SDCCGSBI-0050659.P004; IDI1_000792; NCGC00015619-01; NCGC00015619-02; NCGC00015619-03; NCGC00015619-04; NCGC00015619-05; NCGC00015619-06; NCGC00015619-07; NCGC00015619-08; NCGC00015619-10; NCGC00015619-11; NCGC00015619-12; NCGC00015619-13; NCGC00015619-26; NCGC00023125-02; NCGC00023125-04; NCGC00023125-05; NCGC00023125-06; NCGC00023125-07; NCGC00255171-01; NCGC00261365-01; 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cycloheptal[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acid ethyl ester; BL164637; HY-17043; NCI60_041473; SY052751; BCP0726000007; SBI-0050659.P003; EU-0100680; FT-0627976; L0223; SW197416-3; D00364; J10034; AB00053224-15; AB00053224-16; AB00053224_17; AB00053224_18; 794L755; L000667; Q424049; Q-100833; SR-01000075968-1; SR-01000075968-3; SR-01000075968-4; SR-01000075968-6; BRD-K82795137-001-02-3; BRD-K82795137-001-10-6; Z1741979837; Loratadine, British Pharmacopoeia (BP) Reference Standard; Loratadine, European Pharmacopoeia (EP) Reference Standard; Loratadine, United States Pharmacopeia (USP) Reference Standard; Loratadine, Pharmaceutical Secondary Standard; Certified Reference Material; Loratadine for system suitability, European Pharmacopoeia (EP) Reference Standard; 1-Piperidenecarboxylic acid,6-duhydro-11H-benzo [5,6]cyclohepta[1,2-b]-pyridin-11-ylidene)-, ethyl ester; 1-Piperidinecarboxylic acid,4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester; 11-[N-(ethoxycarbonyl)-4-piperidylidene]-8-chloro-6,11-dihydro-5H-benzo-[5,6]cyclohepta[1,2-b]pyridine; 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester; 4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acid ethyl ester; 4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidine-1-carboxylic acid ethyl ester; 4-(8-chloro-5,6-dihydrobenzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylic acid ethyl ester; 8-chloro-11-(1-ethoxycarbonyl-4-piperidylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; 8-chloro-6,11-dihydro-11-(1- ethoxycarbonyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; 8-Chloro-6,11-dihydro-11-(1-ethoxycarbonyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidine)-1-piperidinecarboxylate; Ethyl-4-(8-chloro-5,6-dihydro-11H-benzo [5,6] cyclohepta [1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate; loratadine impurity c;4-(4,8-dichloro-5,6-dihydro-11h-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721075	.	.	.	.	382.9	C22H23ClN2O2	42.4	569	5.2	27	0	3	2	"InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3"	CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1	JCCNYMKQOSZNPW-UHFFFAOYSA-N
DG50124	4-(Dimethylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]benzamide	3994	"m344; 251456-60-7; 4-(dimethylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]benzamide; M 344; Histone Deacetylase Inhibitor III; 4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide; M-344; N-Hydroxy-7-(4-dimethylaminobenzoyl)aminoheptanamide; UNII-J8W4VF5ZEJ; J8W4VF5ZEJ; Benzamide, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]-; 4-Dimethylamino-N-(6-hydroxycarbamoylhexyl)benzamide; D 237;MS 344; CHEMBL140000; MFCD03453554; 4-(Dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]-benzamide; Benzamide, 4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)-; B3N; MS 344; MS 344, D237; MLS006011092; SCHEMBL675763; N-Hydroxy-7-(4-dimethylaminobenzoyl)-aminoheptanamide; DTXSID90274415; CHEBI:125562; 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYLHEXYL)-BENZAMIDE; HMS3648E20; HMS3656B08; 3802AH; 7-{[4-(DIMETHYLAMINO)PHENYL]FORMAMIDO}-N-HYDROXYHEPTANAMIDE; BDBM50082665; NSC718169; s2779; ZINC12502280; AKOS022183358; CCG-208693; CS-1342; DB02565; NSC-718169; M344, >=98% (HPLC), powder; NCGC00263617-05; AS-71316; D237; HY-13506; NCI60_040738; SMR004702880; DB-106167; D4188; FT-0669552; SW219379-1; EC-000.2275; C74302; 456M607; A924948; SR-01000946361; J-015838; SR-01000946361-1; BRD-K45528773-001-02-3; BRD-K45528773-001-03-1; Q27216175; 4-Dimethylamino-N-(6-hydroxycarbamoyl-hexyl)-benzamide; 4-(diethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718169	.	.	.	.	307.39	C16H25N3O3	81.7	340	1.7	22	3	4	9	"InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)"	CN(C)C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NO	MXWDSZWTBOCWBK-UHFFFAOYSA-N
DG50125	Malformin A	4005	"MALFORMIN A; Malformins; 3022-92-2; Malformin A1; NSC324646; 4-butan-2-yl-7-(2-methylpropyl)-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone; cyclo(D-Cys-D-Cys-Val-D-Leu-Ile)cyclic(1-2)-disulfide; Malformin; NSC 324646; Malformin-A1; Malformin-A; CHEMBL1987208; DTXSID60911481; AKOS030213204; BS-1480; NSC-324646; Cyclic(D-cysteinyl-D-cysteinyl-L-valyl-D-leucyl-L-isoleucyl)cyclic(1-2)-disulfide; NCI60_002817; 11006-42-1; 4-(Butan-2-yl)-7-(2-methylpropyl)-10-(propan-2-yl)-15,16-dithia-2,5,8,11,19-pentaazabicyclo[11.4.2]nonadeca-2,5,8,11,18-pentaene-3,6,9,12,18-pentol; 4-Sec-Butyl-7-isobutyl-10-isopropyl-15,16-dithia-2,5,8,11,19-pentaaza-bicyclo[11.4.2]nonadecane-3,6,9,12,18-pentaone; 7-isobutyl-4-isopropyl-10-sec-butyl-15,16-dithia-3,6,9,12,18-pentazabicyclo[11.4.2]nonadecane-2,5,8,11,19-pentone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	324646	.	.	.	.	529.7	C23H39N5O5S2	196	809	2.1	35	5	7	5	"InChI=1S/C23H39N5O5S2/c1-7-13(6)18-23(33)26-15-9-34-35-10-16(25-20(15)30)21(31)27-17(12(4)5)22(32)24-14(8-11(2)3)19(29)28-18/h11-18H,7-10H2,1-6H3,(H,24,32)(H,25,30)(H,26,33)(H,27,31)(H,28,29)"	CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)C)NC2=O	RNCGDQLZIATDOU-UHFFFAOYSA-N
DG50126	NSC351907	4016	mastoparan; 72093-21-1; NSC351907; CHEMBL1964493; NSC-351907; NCGC00163465-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	351907	.	.	.	.	1478.9	C70H131N19O15	569	2790	1	104	19	19	53	"InChI=1S/C70H131N19O15/c1-17-40(11)55(75)69(103)88-53(35-54(74)90)68(102)87-52(34-39(9)10)67(101)83-46(25-19-22-28-71)62(96)78-45(16)61(95)86-50(32-37(5)6)65(99)79-42(13)58(92)77-43(14)60(94)85-51(33-38(7)8)66(100)80-44(15)59(93)81-47(26-20-23-29-72)63(97)82-48(27-21-24-30-73)64(98)89-56(41(12)18-2)70(104)84-49(57(76)91)31-36(3)4/h36-53,55-56H,17-35,71-73,75H2,1-16H3,(H2,74,90)(H2,76,91)(H,77,92)(H,78,96)(H,79,99)(H,80,100)(H,81,93)(H,82,97)(H,83,101)(H,84,104)(H,85,94)(H,86,95)(H,87,102)(H,88,103)(H,89,98)"	CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)N)N	MASXKPLGZRMBJF-UHFFFAOYSA-N
DG50128	Mechlorethamine	4033	"mechlorethamine; Chlormethine; Nitrogen mustard; Chlorethazine; Mustine; Mustargen; 51-75-2; Cloramin; Mecloretamina; 2-Chloro-N-(2-chloroethyl)-N-methylethanamine; Bis(2-chloroethyl)methylamine; Caryolysine; Embichin; Mechloroethamine; Dichlor amine; Methylbis(2-chloroethyl)amine; 2,2'-Dichloro-N-methyldiethylamine; N-Methyl-bis(2-chloroethyl)amine; Bis(beta-chloroethyl)methylamine; Methylbis(beta-chloroethyl)amine; N-Methyl-lost; N-Methyl-bis(beta-chloroethyl)amine; Nitrogranulogen; Ethanamine, 2-chloro-N-(2-chloroethyl)-N-methyl-; Di(2-chloroethyl)methylamine; Methyldi(2-chloroethyl)amine; beta,beta'-Dichlorodiethyl-N-methylamine; N,N-Bis(2-chloroethyl)methylamine; N,N-Di(chloroethyl)methylamine; HN-2; Nitrogen mustard (HN-2); 2,2'-Dichlorodiethyl-methylamine; NSC 762; N-Methyl-bis-chloraethylamin; N-Methyl-2,2'-dichlorodiethylamine; ENT-25294; TL 146; HN2; N-Lost; UNII-50D9XSG0VR; Carolysine; Mebichloramine; Embechine; T-1024; Diethylamine, 2,2'-dichloro-N-methyl-; CHEBI:28925; 50D9XSG0VR; N-METHYL-DI(2-CHLORO)-ETHYLAMINE; N-methylbis(2-chloroethyl)amine; Antimit; bis(2-chloroethyl)(methyl)amine; N-Methyl lost; NSC-757087; Clormetina; Mustine note; Stickstofflost (ebewe); .Beta.,.beta.'-Dichlorodiethyl-N-methylamine; Mecloretamina [Italian]; AB00052033_05; N-Methyl-lost [German]; Clormetina [INN-Spanish]; Chlormethinum [INN-Latin]; Valchlor; Chloramine (the nitrogen mustard); Chlormethine [INN:BAN]; CCRIS 447; N-Methyl-bis-chloraethylamin [German]; Chlormethine (INN); HSDB 5083; NSC-128663; EINECS 200-120-5; Nitol (*Hydrochloride*); T 1024; Mitoxine (*Hydrochloride*); BRN 0605323; Ledaga; SR-05000001664; Stickstofflost (*Hydrochloride*); Eraso (Salt/Mix); Nitol (Salt/Mix); Hn2 (amine); N,N-Bis(2-chloroethyl)-N-methylamine; Embichin (Salt/Mix); Dichloren (Salt/Mix); Chlormethinehydrochloride; Spectrum_000889; Caryolysin (Salt/Mix); Caryolysine (Salt/Mix); Spectrum2_000448; Spectrum3_000484; Spectrum4_000924; Spectrum5_001702; Nitrogen mustard (hn 2); bis(chloroethyl)methylamine; CHEMBL427; Epitope ID:116224; cid_4033; SCHEMBL3861; 2-chloro-N-(2-chloroethyl)-N-methyl-ethanamine; Bis(b-chloroethyl)methylamine; BSPBio_001947; KBioGR_001448; KBioSS_001369; DivK1c_000759; SPECTRUM1500375; SPBio_000496; Methyl-bis(2-chloroethyl)amine; GTPL7218; DTXSID2020975; HMS502F21; KBio1_000759; KBio2_001369; KBio2_003937; KBio2_006505; KBio3_001447; N-methyldi-(2-chloroethyl)amine; bis(2-chloro-ethyl)-methyl-amine; bis-(2-chloro-ethyl)-methylamine; NINDS_000759; BDBM200297; Bis(.beta.-chloroethyl)methylamine; HMS1920J15; HMS2091B04; Methylbis(.beta.-chloroethyl)amine; Pharmakon1600-01500375; bis-(2-chloro-ethyl)-methyl-amine; ZINC2539484; CCG-39885; NSC757087; STL484282; AKOS006229862; N-Methyl-bis(.beta.-chloroethyl)amine; DB00888; MCULE-6341452542; IDI1_000759; NCGC00091835-02; NCGC00091835-03; NCGC00091835-04; NCGC00091835-05; NCGC00091835-06; NCGC00091835-07; NCGC00091835-08; NCGC00091835-09; N,N-Bis(2-chloroethyl)-N-methylamine #; NCI60_041682; U601; SBI-0051432.P003; A8064; C07115; D07671; AB00052033-04; 055M867; Q418011; 1, 5-Dichloro-3-methyl-3-azapentane hydrochloride; SR-05000001664-1; BRD-K12829205-001-03-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757087	.	.	.	.	156.05	C5H11Cl2N	3.2	43.7	0.9	8	0	1	4	"InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3"	CN(CCCl)CCCl	HAWPXGHAZFHHAD-UHFFFAOYSA-N
DG50129	Menadione	4055	"menadione; 58-27-5; Vitamin K3; 2-Methyl-1,4-naphthoquinone; 2-methylnaphthalene-1,4-dione; Menaphthone; 2-Methylnaphthoquinone; Kayquinone; 2-Methyl-1,4-naphthalenedione; Thyloquinone; Kappaxin; Klottone; Panosine; Kayklot; Kolklot; Menaphthon; Menadion; Kanone; Kipca; Aquinone; Kaergona; Kativ-G; Mitenone; Prokayvit; Aquakay; Hemodal; Karcon; Kareon; Kaykot; Koaxin; Mitenon; Synkay; K-Thrombyl; K-Vitan; Kipca-Oil Soluble; Juva-K; Vitamin K 3; Vitamin K2(0); Vitamin K0; 2-Methyl-1,4-naphthochinon; Menaquinone 0; Menaphtone; Usaf ek-5185; 1,4-Naphthalenedione, 2-methyl-; 3-Methyl-1,4-naphthoquinone; Menaphthene; Kaynone; 2-Methyl-1,4-naftochinon; 2-methyl-1,4-dihydronaphthalene-1,4-dione; 1,4-Naphthoquinone, 2-methyl-; Menaquinone O; Menadione (Vitamin K3); NSC 4170; UNII-723JX6CXY5; MFCD00001681; NSC4170; MNQ; CHEMBL590; 2-Methyl-1,4-naphthalendione; MLS000069420; 723JX6CXY5; 1,4-Dihydro-2-methylnaphthalene-1,4-dione; Menadionum; Memodol; CHEBI:28869; NSC-4170; Kappaxan (VAN); VK3; CAS-58-27-5; Menadione semiquinone; NCGC00016258-02; SMR000059102; DSSTox_CID_1715; DSSTox_RID_76289; DSSTox_GSID_21715; Methyl-1,4-naphthoquinone; 2-Methyl-1,4-naftochinon [Czech]; Menadione (USP); Kappaxin (TN); Kipca, oil soluble; 2-Methyl-1,4-naphthochinon [German]; CCRIS 6672; HSDB 3354; Menadione [USP:BAN]; SR-01000712386; EINECS 200-372-6; 2-Methyl-1,4-naphthodione; Methyl-1,4-naphthalenedione; Mendione; AI3-14700; 2-methyl-1,4-naphthoquinone, 5; Menadione, 9; Menadione,(S); Prestwick_313; Menadione, 98%; Menadione, crystalline; Spectrum_001228; SpecPlus_000191; Opera_ID_1802; Prestwick0_000459; Prestwick1_000459; Prestwick2_000459; Prestwick3_000459; Spectrum2_001194; Spectrum4_000722; Spectrum5_001764; M0373; NCIMech_000105; cid_4055; 2-methyl-1,4-napthoquinone; SCHEMBL25970; BSPBio_000538; KBioGR_000984; KBioGR_002527; KBioSS_001708; KBioSS_002535; 2-methyl-1,4 naphthoquinone; 34524-96-4; MLS001148443; BIDD:ER0556; DivK1c_000080; DivK1c_006287; SPECTRUM1502254; SPBio_001267; SPBio_002477; 3-methyl-1,4-naphthalenedione; BPBio1_000592; ZINC1677; DTXSID4021715; 1,4-naphthalenedione, 2-methyl; 2-Methyl-[1,4]-naphthoquinone; BDBM24778; HMS500D22; KBio1_000080; KBio1_001231; KBio2_001708; KBio2_002527; KBio2_004276; KBio2_005095; KBio2_006844; KBio2_007663; KBio3_003005; WLN: L66 BV EVJ C1; cMAP_000077; NINDS_000080; Bio1_000471; Bio1_000960; Bio1_001449; HMS1569K20; HMS1921P06; HMS2092F12; HMS2096K20; HMS2232A09; HMS2234J16; HMS3371M08; HMS3373A12; HMS3655P03; HMS3869N03; Pharmakon1600-01502254; AMY31055; BCP25699; HY-B0332; STR01143; Tox21_110334; Tox21_301367; BBL027351; CCG-35354; Menadione (K3), analytical standard; NSC758200; s1949; STL377874; AKOS004910447; AKOS025244105; Tox21_110334_1; DB00170; FS-2556; MCULE-2487773379; NSC-758200; SB17255; IDI1_000080; QTL1_000056; NCGC00016258-01; NCGC00016258-03; NCGC00016258-04; NCGC00016258-06; NCGC00016258-07; NCGC00016258-08; NCGC00094978-01; NCGC00094978-02; NCGC00255225-01; AC-34841; H500; NCI60_003945; SMR000653532; SY018303; SBI-0051776.P002; Menadione, meets USP testing specifications; FT-0612893; FT-0675843; SW219798-1; C05377; D02335; 001M681; A831816; Q192471; 1,4-Naphthalenedione, 2-methyl-, radical ion(1-); Q-201350; SR-01000712386-2; SR-01000712386-5; SR-01000712386-6; VITAMIN K3; 2-METHYL-1,4-NAPHTHALENEDIONE; BRD-K78126613-001-16-0; Menadione (Vitamin K3) 10 microg/mL in Acetonitrile; Vitamin K3; 2-Methyl-1,4-naphthoquinone; Menaphthone; Vitamin K3: 1,4-Dihydro-1,4-dioxo-2-methylnaphthalene; Menadione, European Pharmacopoeia (EP) Reference Standard; 03AAE1E9-B215-45AF-976C-91E61894A467; Menadione, United States Pharmacopeia (USP) Reference Standard; Menadione, Pharmaceutical Secondary Standard; Certified Reference Material"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4170	.	.	.	.	172.18	C11H8O2	34.1	289	2.2	13	0	2	0	"InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3"	CC1=CC(=O)C2=CC=CC=C2C1=O	MJVAVZPDRWSRRC-UHFFFAOYSA-N
DG50130	Amethopterin	4112	"Amethopterin; 60388-53-6; DL-Amethopterin; (+)-Amethopterin; Mexate; METHOTREXATE(+/-); Methylaminopterin; Ledertrexate; Antifolan; TCMDC-123832; (+/-)Amethopterin; Amethopterin (R,S); Methotrexate (hydrate); Methotrexate;DL-Amethopterin; Emtexate; MLS002701970; 2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid; 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid; C20H22N8O5; DL-Methotrexate; NSC 117356; L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-; Amethopterine; Methotextrate; Methotrexat; L-Amethopterin; Methotrexat-Ebewe; Amethopterin (hydrate); CL14377 (hydrate); WR19039 (hydrate); 6-Mtx (DL); 2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioic acid; (+-)-Methotrexate; SR-05000001673; EINECS 262-213-7; NSC 740; NSC117356; Prestwick_753; Folex (Salt/Mix); X 133; Prestwick0_000373; Prestwick1_000373; Prestwick2_000373; Prestwick3_000135; Prestwick3_000373; Methotrexate, (+/-)-; CHEMBL426; N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-DL-glutamic acid; N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-DL-glutamic acid; SCHEMBL3712; Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, DL-; BSPBio_000210; BSPBio_000525; BSPBio_001993; Amethopterin; DL-Amethopterin; ChEMBL_59579; SPECTRUM1500398; SPBio_002446; BPBio1_000232; BPBio1_000579; Methotrexate pound>>Amethopterin; SCHEMBL11986730; SCHEMBL20369096; CHEBI:93775; DTXSID40859034; Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, L-; Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova; L-(+)-N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)glutamic acid; N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-(+)-glutamic acid; HMS1569K07; HMS1920L21; HMS2091D16; HMS2096K07; HMS3267F07; HMS3371G08; HMS3403O03; HMS3654M22; HMS3713K07; HMS3869E13; Pharmakon1600-01500398; BCP02078; BCP29918; BDBM50004545; NSC757113; AKOS000281496; AKOS024282621; 4-Amino-N10-methylpteroylglutamic acid; AB02593; CCG-212689; MCULE-3234195945; NSC-117356; NSC-757113; DL-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-; NCGC00015079-03; NCGC00015079-04; NCGC00015079-07; NCGC00095284-01; NCGC00095284-02; AC-11680; NCI60_041622; SMR001565548; SBI-0053664.P003; Kyselina 4-amino-N10-methylpteroylglutamova; FT-0601523; FT-0630651; M1664; 388A536; SR-05000001673-1; SR-05000001673-2; BRD-A55424491-001-07-4; BRD-A55424491-001-08-2; Q27165469; (MTX)2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid; 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(MTX); Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L-(+)-; N-(4-[[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino]benzoyl)glutamic acid, (L)-; N-(4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamic acid; N-(p-((2,4-Diamino-6-pteridyl)methyl)methylamino)benzoyl)glutamic acid, (L)-; (methotrexate)2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid; (Methotrexate, MTX)2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid; 2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid; 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid (Methotrexate); 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid (MTX); 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid bis-adamantan-1-ylamide; 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(Amethopterin); 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(Methotrexate (MTX)); 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(Methotrexate ); 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(methotrexate(MTX)); 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(Methotrexate); 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(Methotrexate, MXT); 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(methotrexate, MTX); Methotrexate solution, 1.0 mg/mL in methanol with 0.1N NaOH, ampule of 1 mL, certified reference material; Methotrexate2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117356	.	.	.	.	454.4	C20H22N8O5	211	704	-1.8	33	5	12	9	"InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)"	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-UHFFFAOYSA-N
DG50131	Methylene Blue cation	4139	"Methylene Blue cation; 3,7-bis(dimethylamino)phenothiazin-5-ium; UNII-ZMZ79891ZH; [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium; 7060-82-4; N-[7-(dimethylamino)-3H-phenothiazin-3-ylidene]-N-methylmethanaminium; ZMZ79891ZH; CHEBI:43830; azul de metileno; Methylthionine chloride; Methylthioninium; CHEMBL405110; NSC3089; NSC215213; NSC617593; NCGC00167496-01; NCGC00167496-03; C.I. 52015; methylene-blue; Methylthionine HCl; 3H-Phenothiazine, 7-(dimethylamino)-3-(methylimino)-, 3-methochloride; AI3-52463; cid_6099; SCHEMBL109755; CHEMBL191083; DTXSID3047009; DNDI1417128; BDBM50241461; BDBM50434369; STK391059; STL483851; ZINC12414057; AKOS001482930; METHYLENE BLUE CHLORIDE HYDRATE; DB08167; MCULE-6490213141; NCGC00159445-02; NCGC00167496-02; SBI-0206846.P001; 3,7-bis(dimethylamino)-phenothiazin-5-ium; Phenothiazin-5-ium, 3,7-bis(dimethylamino)-; AB00443236_03; 3-(Dimethyliminio)-7-(dimethylamino)-3H-phenothiazine; BRD-K16406336-311-01-2; Q27097395; [7-(dimethylamino)phenothiazin-3-ylidene]-dimethyl-ammonium; 1001913-24-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617593	.	.	.	.	284.4	C16H18N3S+	43.9	483	2.2	20	0	3	1	"InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1"	CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2	RBTBFTRPCNLSDE-UHFFFAOYSA-N
DG50132	Miconazole	4189	"miconazole; 22916-47-8; Monistat; Monistat IV; Daktarin IV; Miconazol; Miconazolo; Miconazolum; Minostate; 1-[2-(2,4-Dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole; Monistat-Derm; MJR 1762; Miconazolum [INN-Latin]; Vusion; Florid(nitrate); 1-(2-((2,4-Dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole; Brentan; R 18134; 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole; Miconazole 3; NSC 170986; C18H14Cl4N2O; Daktarin; Miconazole (Monistat); Miconazole 7; Monistat 3; Monistat 5; Monistat 7; Monistat 1 Combination Pack; CHEMBL91; Monistat (TN); MFCD00216019; Miconazole 7 Combination Pack; 1-(2,4-Dichloro-beta-((2,4-dichlorobenzyl)oxy)phenethyl)imidazole; R18134 nitrate; 1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-; MCZ; Dactarin; CHEBI:82892; M-zole 3 Combination Pack; Monistat 3 Combination Pack; 1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-; 22916-47-8 (free); NSC-170986; Miconazolo [DCIT]; NCGC00016770-01; Micozole; Zimycan; 1-(2,4-dichloro-beta-((2,4-dichlorobenzyl)oxy)phenethyl) imidazole; Imidazole, 1-(2,4-dichloro-beta-((2,4-dichlorobenzyl)oxy)phenethyl)-; Femizol-M; Miconazole-7; Monazole 7; 1-[2-(2,4-dichlorophenyl)-2-{[(2,4-dichlorophenyl)methyl]oxy}ethyl]-1H-imidazole; Miconazol [INN-Spanish]; Oravig; Aflorix(nitrate); 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole; 1-{2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole; imidazole, 1-(2,4-dichloro-beta-((2,4-dichlorobenzyl)oxy) phenethyl)-; Albistat(nitrate); Andergin(nitrate); Conofite(nitrate); (+/-)-Miconazole nitrate salt; 1H-imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl) methoxy)ethyl)-; imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl) methoxy)ethyl)- (9CI); Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)- (9CI); Monista (nitrate); Micantin (nitrate); Novo-Miconazole Vaginal Ovules; CCRIS 7924; Gyno-Daktar(nitrate); Lotrimin AF(nitrate); NSC169434; Epi-Monistat(nitrate); Monistat 7 Vaginal Suppositories; EINECS 245-324-5; BRN 0965511; Zimybase; Miconazole Base; 1-(2,4-Dichloro-beta-[(2,4-dichlorobenzyl)oxy]phenethyl)imidazole; R-14889; SR-01000000271; 1-(2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole; 1-[2-[(2,4-Dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole; 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-1h-imidazole; Miconazole [USP:INN:BAN:JAN]; Prestwick_335; Oravig (TN); Spectrum_000965; Prestwick0_000067; Prestwick1_000067; Prestwick2_000067; Prestwick3_000067; Spectrum2_001048; Spectrum3_000507; Spectrum4_000061; Spectrum5_001297; DSSTox_CID_3319; bmse000924; (+-)-1-(2,4-Dichloro-beta-((2,4-dichlorobenzyl)oxy)phenethyl)imidazole; cid_4189; SCHEMBL2866; DSSTox_RID_76975; DSSTox_GSID_23319; Oprea1_091955; BSPBio_000253; BSPBio_002033; KBioGR_000581; KBioSS_001445; MLS002222203; DivK1c_000156; SPBio_000976; SPBio_002174; BPBio1_000279; GTPL2449; Miconazole (JP17/USP/INN); DTXSID6023319; SCHEMBL13934598; BDBM31772; KBio1_000156; KBio2_001445; KBio2_004013; KBio2_006581; KBio3_001533; NINDS_000156; HMS1568M15; HMS2090B21; HMS2095M15; HMS2232B14; HMS3374J10; HMS3656E14; HMS3712M15; HY-B0454; Tox21_110601; DL-448; NSC170986; s2536; STK834405; 1-(2,4-dichlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]-2-imidazolylethane; AKOS001574474; AKOS016842489; CCG-220067; DB01110; DS-1881; MCULE-2106181573; 1H-Imidazole, 1-2-((2,4-dichlorophenyl)-2-((2,4-dichlorophenyl))methoxy)ethyl)-, (+-)-; IDI1_000156; Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-; NCGC00018294-02; NCGC00018294-04; NCGC00018294-06; NCGC00018294-08; 75319-47-0; NCI60_001353; NCI60_001380; SMR001307249; SBI-0051448.P003; CAS-22916-47-8; DB-046018; AB00053500; FT-0628942; SW196614-4; W4662; D00416; J10390; R18134; AB00053500-23; AB00053500-24; AB00053500-25; AB00053500_26; AB00053500_27; AB00053500_28; 216M019; A878389; AE-641/01941016; Q410534; J-014898; SR-01000000271-5; BRD-A82396632-001-03-0; BRD-A82396632-008-02-7; 1-[2,4dichloro-beta-(2,4-dichlorobenzyloxy)phenethyl]imidazole; 1-[2,4-Dichloro-beta-([2,4-dichlorobenzyl]oxy)-phenethyl]imidazole; 1-[2,4-dichloro-beta-(2,4-dichlorobenzyloxy)-phenethyl]imidazole; 1-[2,4-dichloro-beta-(2,4-dichlorobenzyloxy)phenethyl]-imidazole; 1-[2,4-dichloro-beta-(2,4-dichlorobenzyloxy)phenethyl]imidazole; Imidazole,4-dichloro-.beta.-[(2,4-dichlorobenzyl)oxy]phenethyl]-; 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-imidazol; 1-[2,4-Dichloro-.beta.-[(2,4-dichlorobenzyl)oxy]phenethyl]imidazole; 1-[2,4-Dichloro-beta-([2,4-dichlorobenzyl]oxy)-phenethyl] imidazole; 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole; 1H-Imidazole,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-; Imidazole, 1-(2,4-dichloro-.beta.-((2,4-dichlorobenzyl)oxy)phenethyl)-; 1-[2-(2,4-Dichloro-benzyloxy)-2-(2,4-dichloro-phenyl)-ethyl]-1H-imidazole; 1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid; 1-[2-(2,4-Dichlorophenyl)-2-[(2,4-dichlorophenyl)-methoxy]ethyl]-1H-imidazole; 1-[2-[(2,4-Dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	169434	.	.	.	.	416.1	C18H14Cl4N2O	27	417	5.3	25	0	2	6	"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2"	C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl	BYBLEWFAAKGYCD-UHFFFAOYSA-N
DG50133	Myelobromol	4208	"1,6-Dibromo-1,6-dideoxyhexitol; Dibromdulcitol; 1,6-dibromohexane-2,3,4,5-tetrol; NSC616232; 488-41-5; 1,6-Dibromodideoxydulcitol; WLN: E1YQYQYQYQ1E; Dibromannit; Dibromannitol; Mielobromol; Myelobromol; DIBROMOMANNITOL; 1,6-Dibromo-1,6-dideoxy-D-galactitol;1,6-Dibromo-1,6-dideoxy-D-galactitol; NSC 104800; Galactitol, 1,6-dibromo-1,6-dideoxy-; 1,6-Dibromo-D-mannitol; NCI-C04762; Dibromogalactitol; D-Dibromomannitol; D-Mannitol, 1,6-dibromo-1,6-dideoxy-; R 54; 1,6-Dideoxygalactitol; 1,6-D-didesoxymannitol; 1,6-dideoxy-D-galactitol; SCHEMBL8456; CHEMBL161657; DTXSID3048158; Allitol,6-dibromo-1,6-dideoxy-; HMS3369A10; BCP31796; NSC94100; D-Allitol,6-dibromo-1,6-dideoxy-; Galactitol,6-dibromo-1,6-dideoxy-; D-Mannitol,6-dibromo-1,6-dideoxy-; NSC104800; NSC140389; NSC240600; 1,6-Dibromo-2,3,4,5-hexanetetrol; MCULE-9822118138; NSC-140389; NSC-240600; NSC-616232; Mannitol,6-dibromo-1,6-dideoxy-, D-; NCI60_000115; NCI60_005034; DB-051580; FT-0632207; 1,6-Dibromo-1,6-dideoxy-D-mannitol;Myebrol; Q3859447; 35827-62-4; 688007-15-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	104800	.	.	.	.	307.96	C6H12Br2O4	80.9	110	-0.3	12	4	4	5	"InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2"	C(C(C(C(C(CBr)O)O)O)O)Br	VFKZTMPDYBFSTM-UHFFFAOYSA-N
DG50134	"1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide"	4213	"NSC289637; NSC 289637;HE 69; NSC-289637; SCHEMBL7119; CHEMBL165000; HMS3372M17; HMS3869H13; AKOS015895934; 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide; LS-13657; NCI60_002375; FT-0630635; FT-0652030; 1H-Imidazole-4-carboxamide, 5-hydroxy-1-.beta.-D-ribofuranosyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	289637	.	.	.	.	259.22	C9H13N3O6	151	329	-1.9	18	5	7	3	"InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)"	C1=NC(=C(N1C2C(C(C(O2)CO)O)O)O)C(=O)N	HZQDCMWJEBCWBR-UHFFFAOYSA-N
DG50135	4-(Benzyloxycarbonyl)-1-(4-methoxyphenylsulfonyl)-N-hydroxypiperazine-2-carboxamide	4230	CHEMBL332134; SCHEMBL2680478; BDBM50084744; NSC727679; NSC-727679; MMP-9/MMP-13 Inhibitor ll CalBioChem Cat. No. 444253; 3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-piperazine-1-carboxylic acid benzyl ester; 4-(Benzyloxycarbonyl)-1-(4-methoxyphenylsulfonyl)-N-hydroxypiperazine-2-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727679	.	.	.	.	449.5	C20H23N3O7S	134	713	1.1	31	2	8	7	"InChI=1S/C20H23N3O7S/c1-29-16-7-9-17(10-8-16)31(27,28)23-12-11-22(13-18(23)19(24)21-26)20(25)30-14-15-5-3-2-4-6-15/h2-10,18,26H,11-14H2,1H3,(H,21,24)"	COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)OCC3=CC=CC=C3	DNGGPLKVDUPXFN-UHFFFAOYSA-N
DG50136	Entinostat	4261	"Entinostat; 209783-80-2; ms-275; SNDX-275; MS 275; MS-27-275; SNDX 275; Entinostat (MS-275); MS 27-275; pyridin-3-ylmethyl 4-((2-aminophenyl)carbamoyl)benzylcarbamate; MS275; UNII-1ZNY4FKK9H; Entinostat (MS-275,SNDX-275); 1ZNY4FKK9H; BAY 86-5274; N-(2-aminophenyl)-4-(N-(pyridin-3-ylmethoxycarbonyl)aminomethyl)benzamide; pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate; CHEMBL27759; pyridin-3-ylmethyl {4-[(2-aminophenyl)carbamoyl]benzyl}carbamate; NSC706995; BAY86-5274; NSC-706995; pyridin-3-ylmethyl 4-(2-aminophenylcarbamoyl)benzylcarbamate; Carbamic acid, N-[[4-[[(2-aminophenyl)amino]carbonyl]phenyl]methyl]-, 3-pyridinylmethyl ester; pyridin-3-ylmethyl 4-((2-aminophenyl)carbamoyl)benzylcarbamate.; pyridin-3-ylmethyl N-({4-[(2-aminophenyl)carbamoyl]phenyl}methyl)carbamate; N-[[4-[(2-aminoanilino)-oxomethyl]phenyl]methyl]carbamic acid 3-pyridinylmethyl ester; entinostatum; N-(2-aminophenyl)-4-[N-(pyridin-3-ylmethoxycarbonyl)aminomethyl]benzamide; Entinostat, free base; Entinostat [USAN:INN]; MS-275 - Entinostat; 3-Pyridinylmethyl ((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)carbamate; benzamide-type inhibitor, 3; Carbamic acid, ((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)-, 3-pyridinylmethyl ester; MLS006010183; Entinostat (JAN/USAN/INN); SCHEMBL148309; GTPL7007; DTXSID0041068; BDBM19410; AOB2570; EX-A038; SYN3039; CHEBI:132082; BCPP000155; HMS3426G07; HMS3648K12; HMS3654O11; HMS3744O17; ACT06782; AMY31163; BCP01824; ZINC1488870; MFCD08272435; NSC756642; s1053; Entinostat (MS-275;SNDX-275); 3-pyridylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate; AKOS024262667; N-(2-Aminophenyl)-4-[N-(pyridin-3-yl-methoxycarbonyl)aminomethyl]benzamide; AC-8968; BCP9000967; Carbamic acid, 3-pyridinylmethyl ester; CCG-208680; CS-0511; DB11841; Entinostat (MS-275, SNDX-275); NSC 706995; NSC-756642; SB16665; Carbamic acid, [[4-[[(2-aminophenyl)carbaonyl]phenyl]methyl]-, 3-pyridinylmethyl ester; NCGC00165833-01; NCGC00165833-02; NCGC00165833-03; NCGC00165833-04; NCGC00165833-11; NCGC00165833-13; AS-17906; BP-25653; Carbamic acid, N-((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)-, 3- pyridinylmethyl ester; HY-12163; MS27-275; NCI60_038022; SMR004458705; MS-275, A HDAC1 and HDAC3 inhibitor; MS-275-27; ZK 244894; FT-0667871; SW219667-1; V2451; EC-000.2117; D09338; 783M802; A815057; MS-275,Entinostat, SNDX-275, MS-27-275; SR-01000946382; Q1281020; SR-01000946382-1; W-201831; BRD-K77908580-001-02-1; BRD-K77908580-001-04-7; (pyridin-3-yl)methyl 4-(2-aminophenylcarbamoyl)benzylcarbamate; N-[[4-[[(2-Aminophenyl)amino]carbonyl]phenyl]methyl]-3-pyridinylmethyl ester, carbamic acid; N-[[4-[[(2-Aminophenyl)amino]carbonyl]phenyl]methyl]carbamic acid 3-pyridinylmethyl ester; SNDX 275;3-pyridylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate; 442532-99-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706995	.	.	.	.	376.4	C21H20N4O3	106	508	2	28	3	5	7	"InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)"	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N
DG50137	"Nigericin, monosodium salt"	4490	"nigericin; NSC292567; 28380-24-7; Nigericin, sodium salt (1:1); NIGERICIN, MONOSODIUM SALT; Neuro_000147; SCHEMBL8254774; CHEMBL2005417; BCP13661; AKOS037645262; MCULE-3073945193; NSC-292567; AS-59318; FT-0698167; A936205; Azalomycin M; Polyetherin A; Helixin C; Antibiotic K178; Antibiotic X464; 28643-80-3 pound Nigericin sodium salt pound(c)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	292567	.	.	.	.	725	C40H68O11	142	1230	5.5	51	3	11	9	"InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43)"	CC1CCC(OC1C(C)C(=O)O)CC2CC(C(C3(O2)C(CC(O3)(C)C4CCC(O4)(C)C5C(CC(O5)C6C(CC(C(O6)(CO)O)C)C)C)C)C)OC	DANUORFCFTYTSZ-UHFFFAOYSA-N
DG50138	Nordihydroguaiaretic acid	4534	"NORDIHYDROGUAIARETIC ACID; 500-38-9; NDGA; Dihydronorguaiaretic acid; Actinex; 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol; Nordihydroguairaretic acid; 1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-; Norhydroguaiaretic acid; Norguaiaretic acid, dihydro-; Dinorguaiaretic acid, dihydro-; 4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol; NSC 4291; 2,3-Bis(3,4-dihydroxyphenylmethyl)butane; nordihydroguaretic acid; Pyrocatechol, 4,4'-(2,3-dimethyltetramethylene)di-; 27686-84-6; 4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(pyrocatechol); CHEMBL52; Nordihydroguaiaretic acid (unspecified); Butane, 1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-; MLS000069451; CHEBI:7625; beta,gamma-Dimethyl-alpha,delta-bis(3,4-dihydroxyphenyl)butane; NSC4291; CHX 100; Masoprocol; meso-NDGA; 1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethylbutane; MFCD00002206; NSC682984; 4,4'-(2,3-dimethylbutane-1,4-diyl)dibenzene-1,2-diol; 4,4'-(2,3-dimethylbutane-1,4-diyl)bis(benzene-1,2-diol); SMR000059049; nordihydroguaiaretic acid (ndga); CCRIS 1399; EINECS 207-903-0; Norguaiaretic acid, dihydro; NSC 682984; NSC-4291; AI3-23059; NDGA;Masoprocol; NSC-682984; NCGC00015741-06; 2,3-Dimethyl-1,4-bis(3,4-dihydroxyphenyl)butane; LOX inhibitor, N/A; nordihydroguiaretic acid; Spectrum_001146; 4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(1,2-benzenediol); nordihydroguajaretic acid; Spectrum5_000735; DSSTox_CID_2437; cid_4534; DSSTox_RID_76590; DSSTox_GSID_22437; Oprea1_368609; KBioGR_002349; KBioSS_001626; KBioSS_002352; MLS002153435; MLS006011710; DivK1c_000999; SCHEMBL135976; GTPL4265; DTXSID5022437; rel-4,4'-((2R,3S)-2,3-Dimethylbutane-1,4-diyl)bis(benzene-1,2-diol); BDBM32020; HCZKYJDFEPMADG-UHFFFAOYSA-; HMS503G19; KBio1_000999; KBio2_001626; KBio2_002349; KBio2_004194; KBio2_004917; KBio2_006762; KBio2_007485; KBio3_002828; Nordihydro Guaiaretic Acid-[d6]; 4,4'-(2,3-Dimethyl-1,4-butanediyl)bis-1,2-benzenediol; cMAP_000026; NINDS_000999; HMS2232L16; HMS3370G10; HMS3649M15; BCP08590; HY-N0198; Tox21_302171; 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]benzene-1,2-diol; s3984; STL570288; AKOS003367978; CCG-207935; CS-1431; MCULE-7119316381; SDCCGSBI-0050852.P002; IDI1_000999; NDGA - CAS 500-38-9; SMP2_000272; 4,3-Dimethyltetramethylene)dipyrocatechol; NCGC00015741-04; NCGC00015741-05; NCGC00015741-08; NCGC00015741-09; NCGC00015741-13; NCGC00089785-02; NCGC00089785-03; NCGC00255380-01; AC-24202; AS-58406; CAS-500-38-9; NCI60_003992; WLN: QR BQ D1Y1&Y1&1R CQ DQ; XN163193; D0800; FT-0606781; Nordihydroguaiaretic acid, >=97.0% (HPLC); .beta.,.delta.-bis(3,4-dihydroxyphenyl)butane; 4,3-Dimethyl-1,4-butanediyl)bis(pyrocatechol); F17140; N-8500; 1, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-; Pyrocatechol,4'-(2,3-dimethyltetramethylene)di-; 500N389; A913176; Butane,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-; SR-01000003007; Q7050774; SR-01000003007-2; PYROCATECHOL,4'- (2,3-DIEMTHYLTETRAMETHYLENE) DI-; 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyrocatechol; .beta.,.gamma.-Dimethyl-.alpha.,.delta.-bis(3,4-dihydroxyphenyl)butane; 4,4'-(2,3-dimethyltetramethylene)dipyrocatechol (Nordihydroguaiaretic acid); 4-[4-[3,4-bis(oxidanyl)phenyl]-2,3-dimethyl-butyl]benzene-1,2-diol; Nordihydroguaiaretic acid, >=90% (HPLC), from Larrea divaricata (creosote bush)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4291	.	.	.	.	302.4	C18H22O4	80.9	303	4.3	22	4	4	5	"InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3"	CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O	HCZKYJDFEPMADG-UHFFFAOYSA-N
DG50139	Nortriptyline	4543	"nortriptyline; Aventyl; Desitriptilina; 72-69-5; Noramitriptyline; Desmethylamitriptyline; Noritren; Sensaval; Ateben; Avantyl; Lumbeck; Demethylamitriptyline; Pamelor; Sesaval; Demethylamitryptyline; Nortriptylinum; Amitryptyline, demethyl-; Psychostyl; UNII-BL03SY4LXB; Aventyl;Desitriptilina; 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N-methyl-; 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine; 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl-1-propanamine; Nortryptiline; Nortryptyline; BL03SY4LXB; Pamelor hydrochloride; 5-(3-Methylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene; 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl-; CHEBI:7640; Nortriptylene hydrochloride; 5-(3-(Methylamino)propylidene)dibenzo(a,e)cyclohepta(1,5)diene; 10,11-Dihydro-5-(3-methylaminopropylidene)-5H-dibenzo(a,d)(1,4)cycloheptene; 10,11-Dihydro-N-methyl-5H-dibenzo(a,d)cycloheptene-delta(5,gamma)-propylamine; 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N-methylpropylamine; NSC-757234; Nortriptilina; Nortriptilina [DCIT]; NSC169453; Nortriptyline [INN:BAN]; Demethylamitriptylene; Nortriptylinum [INN-Latin]; 10,11-dihydro-N-methyl-5H-dibenzo[a,d]cycloheptene-Delta(5,gamma)-propylamine; Nortrilen (TN); NSC78248; CCRIS 9175; Nortriptyline (INN); CAS-894-71-3; EINECS 200-788-8; BRN 2216786; nortriptylina; 5-[3-(Methylamino)propylidene]dibenzo[a,E]cyclohepta[1,5]diene; HSDB 3371; Triptyline-M nor; 10,11-Dihydro-5-(3-methylaminopropylidene)-5H-dibenzo[a,d][1,4]cycloheptene; 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methylpropylamine; 5-(alpha-Methylaminopropylidene)dibenzo(a,d)cyclohepta(1,4)diene; N-Methyl-3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yliden)propylamin; NCI169453; Spectrum_001041; Psychostyl (Salt/Mix); Prestwick0_000254; Prestwick1_000254; Prestwick2_000254; Prestwick3_000254; Spectrum2_000997; Spectrum3_000526; Spectrum4_000455; Spectrum5_001377; Lopac-N-7261; CHEMBL445; NCIStruc1_000856; NCIStruc2_000700; 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N-methyl-; NCIOpen2_004361; BIDD:PXR0187; Lopac0_000868; SCHEMBL34527; BSPBio_000068; BSPBio_002111; KBioGR_000870; KBioSS_001521; DivK1c_000151; SPECTRUM1500442; SPBio_001093; SPBio_002287; BPBio1_000076; GTPL2404; DTXSID9023384; HMS500H13; KBio1_000151; KBio2_001521; KBio2_004089; KBio2_006657; KBio3_001611; NINDS_000151; BDBM112777; HMS1920B20; HMS2091J20; KUC112478N; Pharmakon1600-01500442; ZINC1530741; CCG-38266; NCGC00014483; NSC757234; PDSP1_001805; PDSP2_001788; DB00540; NCI-169453; NSC 757234; SDCCGSBI-0050843.P006; (2)10,11-Dihydro-N-methyl-5H-dibenzo[a,d]cycloheptene-.delta.5.gamma.-propylamine; IDI1_000151; MRF-0000480; QTL1_000063; NCGC00014483-02; NCGC00014483-03; NCGC00014483-04; NCGC00014483-05; NCGC00014483-06; NCGC00014483-07; NCGC00014483-08; NCGC00014483-09; NCGC00014483-10; NCGC00014483-11; NCGC00014483-12; NCGC00014483-14; NCGC00014483-16; NCGC00014483-23; NCGC00024261-03; NCGC00024261-04; NCGC00024261-05; NCGC00024261-06; KSC-315-028-; methyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propyl})amine; N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine; NCI60_001354; SBI-0050843.P004; US8629135, SW-02; HY-118620; AB00052061; CS-0067638; C07274; D08288; Q61387; AB00052061_16; SR-01000000223-4; BRD-K91263825-003-03-2; 10,11-Dihydro-N-methyl-5H-dibenzo(a,d)cycloheptane-.DELTA.,.gamma.-propylamine; 10,11-dihydro-N-methyl-5H-dibenzo[a,d]cycloheptene-Delta5,gamma-propylamine; 3-(5,6-dihydrodibenzo[[ ],[ ]][7]annulen-11-ylidene)-N-methyl-propan-1-amine; 5H-Dibenzo[a,d]cycloheptene-.DELTA.5,.gamma.-propylamine, 10,11-dihydro-N-methyl-; 21B; methyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene]propyl})amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	169453	.	.	.	.	263.4	C19H21N	12	307	4.5	20	1	1	3	"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3"	CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31	PHVGLTMQBUFIQQ-UHFFFAOYSA-N
DG50140	o6-Benzylguanine	4578	"o6-benzylguanine; 6-O-Benzylguanine; 19916-73-5; O(6)-Benzylguanine; 6-(Benzyloxy)-7H-purin-2-amine; 2-Amino-6-(benzyloxy)purine; 6-(benzyloxy)-9H-purin-2-amine; 2-amino-6-benzyloxypurine; 6-Benzyloxyguanine; KRX-0402; 6-(Phenylmethoxy)-1H-purin-2-amine; 2-Amino-6-(phenylmethoxy)-9H-purine; 1000874-21-4; 1H-Purin-2-amine, 6-(phenylmethoxy)-; 6-phenylmethoxy-7H-purin-2-amine; UNII-01KC87F8FE; 6-BENZYLGUANINE; MFCD00269931; 01KC87F8FE; CHEMBL407874; 6-(benzyloxy)-1H-purin-2-amine; NSC637037; NSC-637037; O(6)-Bgua; 6-(Benzyloxy)guanine; 6-Benzyloxy guanine; O6-BG; SMR000326791; Purine, 2-amino-6-(benzyloxy)-; 916B735; NSC 637037; CCRIS 9383; 6-benzyloxy-7H-purin-2-amine; O6 -benzylguanine; Purine, 8CI); 9H-Purin-2-amine, 6-(phenylmethoxy)-; Lopac-B-2292; O6-Benzylguanine- Bio-X; 6-benzyloxy-2-amino-purine; Lopac0_000181; SCHEMBL61740; MLS000859930; MLS001074887; MLS006010145; 6-benzyloxy-9H-purin-2-amine; BDBM5491; 2-Amino-6-benzyloxy-9H-purine; 0.4 CH3OH; DTXSID20173700; HMS2234P23; HMS3260F03; HMS3369A16; BCP08777; O6-Substituted Guanine Deriv. 31; ZINC5425464; 6-(Benzyloxy)-7H-purin-2-ylamine; Tox21_500181; s3658; AKOS015919415; AKOS015963409; AC-1076; CCG-204276; CS-W002585; DB11919; HY-W002585; KS-5281; LP00181; LS20601; SB17232; SDCCGSBI-0050169.P002; NCGC00015144-01; NCGC00015144-02; NCGC00015144-03; NCGC00015144-04; NCGC00015144-08; NCGC00093660-01; NCGC00093660-02; NCGC00260866-01; BB164163; H350; NCI60_012280; Purine, 2-amino-6-(benzyloxy)- (, ); SY008080; O6-Benzylguanine, >=98% (TLC), solid; AM20060538; EU-0100181; FT-0650712; Y2972; B 2292; J10132; SR-01000075709; Q7072275; SR-01000075709-1; W-201741; OBG"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637037	.	.	.	.	241.25	C12H11N5O	89.7	271	1.2	18	2	5	3	"InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)"	C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N	KRWMERLEINMZFT-UHFFFAOYSA-N
DG50141	Kombetin	4605	"MLS002702983; NSC25485; Acocantherin; Rectobaina; Solufantina; Strophalen; Strophoperm; Strophosan; Astrobain; Gratibain; Kombetin; Strodival; Uabaina; Strophanthin G; G-Strophicor; Gratus strophanthin; 630-60-4; NSC-25485; CHEMBL1720907; CHEBI:91723; HMS3267G08; MCULE-5547786885; NCI60_002047; SMR001551689; FT-0673316; FT-0771593; BRD-A46747628-001-01-9; Q27163538; 3-((6-deoxyhexopyranosyl)oxy)-1,5,11,14,19-pentahydroxycard-20(22)-enolide; Card-20(22)-enolide,5,11,14,19-pentahydroxy-, (1.beta.,3.beta.,5.beta.,11.alpha.)-; WLN: L E5 B666TJ A1Q CQ E1 IQ MQ QQ F- DT5OV EHJ& OO- BT6OTJ CQ DQ EQ F1; 3-[1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; Card-20(22)-enolide, 3-[(6-deoxy-.alpha.-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, octahydrate, (1.beta.,3.beta.,5.beta.,11.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	25485	.	.	.	.	584.7	C29H44O12	207	1080	-1.7	41	8	12	4	"InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3"	CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O	LPMXVESGRSUGHW-UHFFFAOYSA-N
DG50142	Oxibendazole	4622	"Oxibendazole; 20559-55-1; Loditac; Filaribits Plus; Anthelcide EQ; Oxibendazolo; SK&F 30310; UNII-022N12KJ0X; Methyl 5-propoxy-2-benzimidazolecarbamate; methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate; Methyl 5-n-propoxy-2-benzimidazole carbamate; 5-Propoxy-2-benzimidazolecarbamic acid methyl ester; methyl (5-propoxy-1h-benzo[d]imidazol-2-yl)carbamate; MLS000069646; 022N12KJ0X; Methyl (5-propoxy-1H-benzimidazol-2-yl)carbamate; MFCD00133728; NSC-758459; NCGC00018238-04; (5-Propoxy-1H-benzimidazol-2-yl)carbamic acid methyl ester; SMR000058208; DSSTox_CID_25625; DSSTox_RID_81010; DSSTox_GSID_45625; methyl N-(5-propoxy-1H-benzimidazol-2-yl)carbamate; oxybendazole; Oxibendazolum; Carbamic acid, N-(6-propoxy-1H-benzimidazol-2-yl)-, methyl ester; Oxibendazolum [INN-Latin]; Oxibendazolo [INN-Spanish]; AJ119,(+); CAS-20559-55-1; EINECS 243-877-7; SKF 30310; Oxibendazole [USAN:INN:BAN]; N-(2-(5-Propoxybenzimidazolyl)) methyl carbamate; Anthelcide EQ (TN); Oxibendazole, ~98%; Spectrum_001699; 2-BENZIMIDAZOLECARBAMIC ACID, 5-PROPOXY-, METHYL ESTER; N-(Propoxy-5, benzimidazolyl)-2, carbamate de methyle [French]; Carbamic acid, (5-propoxy-1H-benzimidazol-2-yl)-, methyl ester; Spectrum2_001556; Spectrum3_001951; Spectrum4_000836; Spectrum5_001219; Oxibendazole (USAN/INN); 5-Propoxy-2-(methoxycarbonylamino)benzimidazole; cid_4622; BSPBio_003551; KBioGR_001411; KBioSS_002179; MLS006011733; DivK1c_000096; SCHEMBL168101; SPECTRUM1503373; SPBio_001432; CHEMBL1087630; DTXSID5045625; N-(Propoxy-5, benzimidazolyl)-2, carbamate de methyle; BDBM31048; CHEBI:92907; HMS500E18; KBio1_000096; KBio2_002179; KBio2_004747; KBio2_007315; KBio3_002864; NINDS_000096; HMS1922A22; HMS2090F21; HMS2094M09; HMS3713J18; Pharmakon1600-01503373; HY-B0299; ZINC4685859; Tox21_110844; CCG-39334; NSC758459; s1851; STL301145; AKOS015895323; Tox21_110844_1; AC-8714; CCG-220608; DB04910; MCULE-8346438764; NSC 758459; SK&F-30310; IDI1_000096; NCGC00018238-01; NCGC00018238-02; NCGC00018238-03; NCGC00018238-05; NCGC00018238-06; NCGC00018238-07; NCGC00018238-08; NCGC00018238-09; NCGC00023557-03; NCGC00023557-04; NCGC00023557-05; AS-12166; SY067010; DB-045281; Oxibendazole 100 microg/mL in Acetonitrile; 5-propoxy-2-(carbomethoxyamino)benzimidazole; FT-0630464; O0499; C73898; D05293; methyl 5-propoxy-1H-benzimidazol-2-ylcarbamate; AB00052350-06; AB00052350_07; AB00052350_08; Oxibendazole, VETRANAL(TM), analytical standard; 559O551; A814696; AJ-119/34637010; SR-01000000182; SR-05000002065; Q7115623; SR-01000000182-2; SR-05000002065-1; W-107609; BRD-K52075715-001-02-6; BRD-K52075715-001-03-4; BRD-K84514357-001-02-9; Methyl (6-propoxy-1H-benzo[d]imidazol-2-yl)carbamate; N-(6-propoxy-1H-benzimidazol-2-yl)carbamic acid methyl ester; Oxibendazole, European Pharmacopoeia (EP) Reference Standard; Methyl (5-Propoxy-1H-benzo[d]imidazol-2-yl)carbamate / (5-Propoxy-1H-benzimidazol-2-yl)carbamic Acid Methyl Ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758459	.	.	.	.	249.27	C12H15N3O3	76.2	288	2.4	18	2	4	5	"InChI=1S/C12H15N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)"	CCCOC1=CC2=C(C=C1)N=C(N2)NC(=O)OC	RAOCRURYZCVHMG-UHFFFAOYSA-N
DG50143	Patulin	4696	"patulin; 149-29-1; Clavacin; Expansine; Clavatin; Expansin; Patuline; Claviform; Claviformin; Clairformin; Gigantin; Leucopin; Terinin; Mycoin C3; Tercinin; Mycoin; Mycoine C3; Penicidin; Mycosin; Penatin; Mycoin C; 4-Hydroxy-4H-furo[3,2-c]pyran-2(6H)-one; 4H-Furo[3,2-c]pyran-2(6H)-one, 4-hydroxy-; Sch-351633; 4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one; NSC 8120; NSC 32951; 4-Hydroxy-4H-furo(3,2-C)pyran-2(6H)-one; (2,4-Dihydroxy-2H-pyran-3(6H)-ylidene)acetic acid, 3,4-lactone; 4,6-Dihydro-4-hydroxy-2H-furo(3,2-c)pyran-2-one; NSC8120; NSC32951; MFCD00005858; 4H-Furo(3,2-c)pyran-2(6H)-one, 4-hydroxy-; SCH 351633; (2,4-Dihydroxy-2H-pyran-3(6H)-ylidene)acetic acid-3,4-lactone; 4,6-dihydro-4-hydroxy-2H-furo[3,2-c]pyran-2-one; CHEMBL294018; CHEBI:74926; Acetic acid, (2,4-dihydroxy-2H-pyran-3(6H)-ylidene)-, 3,4-lactone; (2, 3,4-lactone; 4-Hydroxy-4,6-dihydrofuro[4,5-c]pyran-2-one; 4H-Furo[3, 4-hydroxy-; 4-hydroxy-4,6-dihydro-2H-furo[3,2-c]pyran-2-one; 2,.alpha.-acetic acid, 3,4-lactone; Patulin 100 microg/mL in Acetonitrile; WLN: T56 BOV GO IU & TJ FQ; CCRIS 4940; HSDB 3522; SR-05000002238; EINECS 205-735-2; BRN 0149675; Clavicin; Clavitin; Expansion; 2H-Pyran-.delta.(sup 3(6H), 2,4-dihydroxy-, 3,4-lactone; Acetic acid,4-dihydroxy-2H-pyran-3(6H)-ylidene)-, 3,4-lactone; Gigantic acid ; 4H-Furo(3,3-c)pyran-2(6H)-one, 4-hydroxy-; Spectrum_000015; Antibiotic YS 1649; 2,4-Dihydroxy-2H-pyran-delta-3(6H),alpha-acetic acid-3,4-lactone; Spectrum3_000796; Spectrum4_000753; Spectrum5_001659; 2H-Pyran-delta(sup 3(6H),alpha)-acetic acid, 2,4-dihydroxy-, 3,4-lactone; Antibiotic Sch 351633; Patulin, reference material; Neuro_000008; Clairformin;Patuline;Clavatin; SCHEMBL29056; BSPBio_002532; KBioGR_001106; KBioSS_000355; 5-18-03-00005 (Beilstein Handbook Reference); DivK1c_000438; SPECTRUM1503904; MEGxm0_000442; DTXSID2021101; ACon1_002106; HMS501F20; KBio1_000438; KBio2_000355; KBio2_002923; KBio2_005491; KBio3_001752; NINDS_000438; HMS1923M19; Patulin, >=98.0% (HPLC); BCP29227; EX-A5478; HY-N6779; NSC-8120; BDBM50158841; NSC-32951; AKOS015904103; BS-1260; CCG-208451; DB15586; YS 1649; IDI1_000438; SMP1_000230; NCGC00095272-01; NCGC00095272-02; NCGC00095272-03; NCGC00095272-04; NCGC00095272-05; NCI60_041782; DB-042987; 4-Hydroxy-4H,6H-furo[3,2-c]pyran-2-one; CS-0083018; FT-0631849; FT-0673527; 4-Hydroxy-4H-Furo(3,3-c)pyran-2(6H)-one; 4-hydroxy-2H,4H,6H-furo[3,2-c]pyran-2-one; Q414526; J-008576; SR-05000002238-2; SR-05000002238-3; 2,4-Dihydroxy-2H-pyran-alpha -acetic acid, 3, 4-lactone; 4-Hydroxy-4H-furo[3,2-c]pyran-2(6H)-one, 9CI, 8CI; 2H-Pyran-.delta.(sup 3(6H), 2,4-dihydroxy-,3,4-lactone; 2H-Pyran-alpha )-acetic acid, 2, 4-dihydroxy-,3,4-lactone; 2H-Pyran-alpha )-acetic acid, 2,4-dihydroxy-, 3,4-lactone; Patulin solution, 100 mug/mL in acetonitrile, analytical standard; Patulin solution, 100 mug/mL in chloroform, analytical standard; 2,4-Dihydroxy-2H-pyran-.delta.-3(6H),.alpha.-acetic acid, 3,4-lactone; 2H-Pyran-.delta.(3(6H),.alpha.)-acetic acid, 2,4-dihydroxy-,3,4-lactone; Patulin solution, certified reference material, 100 mug/mL in chloroform, ampule of 1 mL; 247172-18-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32951	.	.	.	.	154.12	C7H6O4	55.8	264	-1	11	1	4	0	"InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2"	C1C=C2C(=CC(=O)O2)C(O1)O	ZRWPUFFVAOMMNM-UHFFFAOYSA-N
DG50145	N-(3-Methyl-1-oxobutyl)-L-valyl-L-valyl-4-amino-3-hydroxy-6-methylheptanoyl-L-alanyl-4-amino-3-hydroxy-6-methylheptanoic acid	4742	"NSC272671; NSC-272671; N-(3-Methyl-1-oxobutyl)-L-valyl-L-valyl-4-amino-3-hydroxy-6-methylheptanoyl-L-alanyl-4-amino-3-hydroxy-6-methylheptanoic acid; CHEMBL38526; SCHEMBL19665773; HMS3374B07; HMS3745M07; Heptanoic acid, N-(3-methyl-1-oxobutyl)-L-valyl-L-valyl-4-amino-3-hydroxy-6-methylheptanoyl-L-alanyl-4-amino-3-hydroxy-6-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	272671	.	.	.	.	685.9	C34H63N5O9	223	1060	3	48	8	9	22	"InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)"	CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O	FAXGPCHRFPCXOO-UHFFFAOYSA-N
DG50146	4-Phenylbutyric acid	4775	"4-PHENYLBUTYRIC ACID; 4-Phenylbutanoic acid; 1821-12-1; Benzenebutanoic acid; Benzenebutyric acid; Phenylbutyrate; Phenylbutyric acid; gamma-Phenylbutyric acid; omega-Phenylbutanoic acid; Butyric acid, 4-phenyl-; 4-PHENYL-BUTANOIC ACID; 4-Phenyl-n-butyric acid; 1-Phenylbutyric acid; 4-phenylbutyrate; GAMMA-PHENYL-BUTYRIC ACID; 4-Phenyl-butyric acid; omega-phenylbutyric acid; CHEBI:41500; PHENYLBUTANOIC ACID; UNII-7WY7YBI87E; gamma-Phenyl-n-butyric acid; MFCD00004403; .gamma.-Phenylbutyric acid; .omega.-Phenylbutanoic acid; 7WY7YBI87E; MLS000069408; PBA; 4-Phenylbutyric acid (4-PBA); SMR000059104; 4-Phenyl butyric acid; NSC 295; gamma-Phenylbutanoic acid; NCGC00018113-03; EINECS 217-341-8; HDInhib_000004; Benzenebutyrate; Benzenebutanoate; AI3-12065; g-Phenylbutyrate; g-Phenylbutanoate; w-Phenylbutanoate; g-phenyl-Butyrate; 4-phenyl-Butyrate; 2-methyl-1-phenyl-propan-2-amine; gamma-Phenylbutyrate; 4-Phenybutytic acid; g-Phenylbutyric acid; gamma-Phenylbutanoate; omega-Phenylbutanoate; 4-Phenyl-n-butyrate; g-Phenylbutanoic acid; gamma-phenyl-Butyrate; w-Phenylbutanoic acid; g-phenyl-Butyric acid; Spectrum_001331; 2ay7; 3tz2; Opera_ID_387; SpecPlus_000814; Spectrum2_001798; Spectrum3_000782; Spectrum4_000092; Spectrum5_001003; 4-PBA;Benzenebutyric acid; bmse000701; Epitope ID:167707; EC 217-341-8; SCHEMBL1716; CHEMBL1469; 3-phenylpropylcarboxylic acid; 4-Phenolsulfonic acid sodium; 4-Phenylbutyric acid, 99%; BSPBio_002484; KBioGR_000384; KBioSS_001811; MLS001076482; DivK1c_006910; SPBio_001755; .gamma.-Phenyl-n-butyric acid; GTPL8480; NSC295; DTXSID2037631; KBio1_001854; KBio2_001811; KBio2_004379; KBio2_006947; KBio3_001704; OBKXEAXTFZPCHS-UHFFFAOYSA-; ZINC56568; NSC-295; HMS2234G14; HMS3259M07; BCP10715; CS-D1686; HY-A0281; STR05306; BDBM50480960; CCG-39733; CX1106; HTS001426; s3592; STL164372; AKOS000154540; AC-3254; AM84635; DB06819; LS10686; MCULE-6322732346; NC00469; PS-4322; NCGC00018113-01; NCGC00018113-02; NCGC00018113-04; NCGC00018113-18; H331; NCI60_002455; NCI60_020145; SY004771; FT-0619401; FT-0673736; P0643; EN300-35719; C21793; A812651; Q-200507; BRD-K67102207-001-02-6; BRD-K67102207-236-01-0; Q27088364; F2190-0002; 1262970-43-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295	.	.	.	.	164.2	C10H12O2	37.3	137	2.4	12	1	2	4	"InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)"	C1=CC=C(C=C1)CCCC(=O)O	OBKXEAXTFZPCHS-UHFFFAOYSA-N
DG50147	Phenylmethylsulfonyl fluoride	4784	"Phenylmethylsulfonyl fluoride; PMSF; phenylmethanesulfonyl fluoride; 329-98-6; Benzylsulfonyl fluoride; Benzenemethanesulfonyl fluoride; alpha-TOLUENESULFONYL FLUORIDE; Phenylmethylsulfonylfluoride; Benzylsulphonyl fluoride; alpha-Toluenesulphonyl fluoride; NSC 88499; Phenylmethylsulphonyl fluoride; UNII-57KD15003I; MFCD00007424; PHENYLMETHANESULPHONYL FLUORIDE; CHEBI:8102; CHEMBL190503; .alpha.-Toluenesulfonyl fluoride; 57KD15003I; EINECS 206-350-2; BRN 2088311; A-TOLUENESULPHONYL FLUORIDE; PHENYLMETHYLSULFONYL-FLUORIDE; Pms-F;PMSF; PMSF PLUS; A-Toluenesulfonyl fluoride; WLN: WSF1R; bmse000752; NCIOpen2_001527; Phenylmethanesulfonyl fluroide; SCHEMBL24938; 3-11-00-00331 (Beilstein Handbook Reference); phenyl methane sulfonylfluoride; phenyl-methyl-sulfonyl fluoride; phenylmethane-sulphonyl fluoride; PHENYLMETHANSULFOFLUORIDE; DTXSID6059819; YBYRMVIVWMBXKQ-UHFFFAOYSA-; A-TOLUENE SULFONYL FLUORIDE; HMS3656J16; HMS3885O03; AMY27009; HY-B0496; NSC88499; PMSF, Phenylmethylsulfonyl fluoride; ZINC8220691; BDBM50171289; HSCI1_000354; NSC-88499; PMSF (Phenylmethylsulfonyl Fluoride); s3025; AKOS001270830; Phenylmethanesulfonyl fluoride solution; AS03388; CCG-207862; CCG-208035; MCULE-4344160591; NCGC00346705-01; L948; NCI60_041962; PHENYLMETHANESULFONIC ACID FLUORIDE; PS-10935; SY038235; DB-048310; B3473; FT-0631967; SW219534-1; EN300-24380; C06747; P-4170; Phenylmethanesulfonyl fluoride, >=98.5% (GC); Phenylmethanesulfonyl fluoride, >=99.0% (T); AB01566861_01; A821558; Q411575; BRD-K33422401-001-01-5; Z199409122; Phenylmethanesulfonyl fluoride solution, ~0.1 M in ethanol (T); PMF"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88499	.	.	.	.	174.19	C7H7FO2S	42.5	199	1.3	11	0	3	2	"InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2"	C1=CC=C(C=C1)CS(=O)(=O)F	YBYRMVIVWMBXKQ-UHFFFAOYSA-N
DG50148	Pipamperone	4830	"Pipamperone; Floropipamide; 1893-33-0; Dipiperon; Dipiperone; Dipiperal; Piperonyl; Piperonil; Pipamperona; Pipamperonum; R 3345; pipamperone hydrochloride; McN-JR-3345; Pipaneperone; Pipamperone free base; UNII-5402501F0W; PIPAMPERONE DIHYDROCHLORIDE  APPROX. 99; (1,4'-BIPIPERIDINE)-4'-CARBOXAMIDE, 1'-(3-(p-FLUOROBENZOYL)PROPYL)-; CHEBI:78549; 1893-33-0 (free base); 4'-Fluoro-4-(4-N-piperidino-4-carbamidopiperidino)butyrophenone; p-Fluoro-gamma-(4-piperidino-4-carbamoylpiperidino)butyrophenone; 1'-(3-(p-Fluorobenzoyl)propyl)-(1,4'-bipiperidine)-4'-carboxamide; Carpiperone; Fluoropipamide; [1,4'-Bipiperidine]-4'-carboxamide, 1'-[4-(4-fluorophenyl)-4-oxobutyl]-; 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide; NSC-759178; Floropipamide; McN-JR 3345; R 3345; 5402501F0W; 1'-[4-(4-fluorophenyl)-4-oxobutyl]-1,4'-bipiperidine-4'-carboxamide; R-3345; Pipamperon; (1,4'-Bipiperidine)-4'-carboxamide, 1'-(4-(4-fluorophenyl)-4-oxobutyl)-; 1'-(4-(4-fluorophenyl)-4-oxobutyl)-[1,4'-bipiperidine]-4'-carboxamide; 1,4'-Bipiperidine]-4'-carboxamide, 1'-[4-(4-fluorophenyl)-4-oxobutyl]-; Pipamperonum [INN-Latin]; Pipamperona [INN-Spanish]; Pipamperone [USAN:INN:BAN]; CCRIS 9071; NCGC00165864-02; BRN 0496532; 1'-(4-(4-fluorophenyl)-4-oxobutyl)-1,4'-bipiperidine-4'-carboxamide; 1'-[4-(4-Fluorophenyl)-4-oxobutyl]-[1,4'-bipiperidine]-4'-carboxamide; 1,4'-Bipiperidine)-4'-carboxamide, 1'-(4-(4-fluorophenyl)-4-oxobutyl)-; Propitan (Salt/Mix); Isonipacotamide, 1-(3-(p-fluorobenzoyl)propyl)-4-piperidino-; Pipamperone (USAN/INN); GTPL92; SCHEMBL2412; 5-22-13-00536 (Beilstein Handbook Reference); McN-JR 3345; CHEMBL440294; DTXSID8048369; BDBM81483; HMS3264G14; Pharmakon1600-01505690; NSC_4830; 1'-(3-(p-Fluorobenzoyl)propyl)(1,4'-bipiperidine)-4'-carboxamide; MFCD00242979; NSC759178; PDSP1_001560; PDSP2_001544; ZINC21297287; CCG-213514; DB09286; NSC 759178; NCGC00165864-01; AC-32938; PIPAMPERONEDIHYDROCHLORIDEAPPROX.99; CAS_1893-33-0; SBI-0206899.P001; HY-100703; CS-0020023; P2315; D02622; AB01563106_01; A929272; L000727; Q415118; SR-05000001930; SR-05000001930-1; BRD-K26801045-001-01-1; Isonipecotamide, 1-(3-(p-fluorobenzoyl)propyl)-4-piperidino-; p-Fluoro-.gamma.-(4-piperidino-4-carbamoylpiperidino)butyrophenone; 1-(4-fluorophenyl)-4-(4-piperidino-4-carbamoylpiperidino)-1-butanone; Floropipamide / 1'-[4-(4-Fluorophenyl)-4-oxobutyl]-[1,4'-bipiperidine]-4'-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759178	.	.	.	.	375.5	C21H30FN3O2	66.6	506	2	27	1	5	7	"InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)"	C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N	AXKPFOAXAHJUAG-UHFFFAOYSA-N
DG50149	Pipobroman	4842	"pipobroman; 54-91-1; Vercyte; Amedel; 1,1'-(Piperazine-1,4-diyl)bis(3-bromopropan-1-one); Pipobromanum; 1,4-Bis(3-bromopropionyl)piperazine; A-8103; Piperazine, 1,4-bis(3-bromo-1-oxopropyl)-; N,N-Bis-(3-bromopropionyl)-piperazine; NSC-25154; A 1803; Piperazine, 1,4-bis(3-bromopropionyl)-; 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one; UNII-6Q99RDT97R; 1,4-Bis(3-bromopropanoyl)piperazine; N,N'-Bis(3-bromopropionyl)piperazine; NSC25154; 6Q99RDT97R; CHEBI:8242; NCGC00095048-01; DSSTox_CID_3485; DSSTox_RID_77048; DSSTox_GSID_23485; Pipobromanum [INN-Latin]; CAS-54-91-1; CCRIS 2753; HSDB 3249; SR-05000001858; VERCYTE (TN); NSC 25154; BRN 0749866; Pipobroman (JAN/USAN/INN); Pipobroman [USAN:USP:INN]; AI3-50113; Spectrum_001727; Spectrum2_000912; Spectrum3_001047; Spectrum5_001135; 4-Chlorophenylphenylsulfone; SCHEMBL4889; CHEMBL1585; BSPBio_002574; KBioSS_002207; DivK1c_000799; SPECTRUM1503393; SPBio_000784; GTPL7271; DTXSID7023485; HMS502H21; KBio1_000799; KBio2_002207; KBio2_004775; KBio2_007343; KBio3_001794; NINDS_000799; HMS1922C10; HMS2093E11; Pharmakon1600-01503393; WLN: T6N DNTJ AV2E DV2E; BCP31516; ZINC1530753; 1,4-di(3-bromopropionyl)piperazine; Tox21_111402; 7981AB; CCG-39748; MFCD00866372; NSC758461; Piperazine,4-bis(3-bromopropionyl)-; s4447; 1, 4-Bis(3-bromopropionyl)piperazine; AKOS016010321; Tox21_111402_1; CS-5085; DB00236; DS-4654; NSC-758461; 1,4-Bis(3-bromopropanoyl)piperazine #; IDI1_000799; NCGC00095048-02; NCGC00095048-03; NCGC00095048-04; NCGC00095048-06; HY-16398; NCI60_002008; Piperazine,4-bis(3-bromo-1-oxopropyl)-; A 8103; C07362; D00467; W18797; AB00052352-02; AB00052352_03; 1,1'-piperazine-1,4-diylbis(3-bromopropan-1-one); SR-05000001858-1; SR-05000001858-2; Q15366704; Vercyte;NSC-25154;1,4-Bis(3-bromo-1-oxopropyl)piperazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	25154	.	.	.	.	356.05	C10H16Br2N2O2	40.6	227	0.4	16	0	2	4	InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2	C1CN(CCN1C(=O)CCBr)C(=O)CCBr	NJBFOOCLYDNZJN-UHFFFAOYSA-N
DG50150	Pomiferin	4871	"pomiferin; 572-03-2; UNII-74YIS40APM; CHEBI:8329; NSC5113; 74YIS40APM; MLS002701889; NSC-5113; 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-pyrano[2,3-f]chromen-4-one; 4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-; Spectrum_000295; AI3-22130; Spectrum2_000799; Spectrum3_000685; Spectrum4_001808; Spectrum5_000515; NCIStruc1_001168; NCIStruc2_001049; BSPBio_002409; KBioGR_002419; KBioSS_000775; SPECTRUM201580; 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one; DivK1c_000996; SPBio_000938; CHEMBL393136; SCHEMBL8059171; HMS503G13; KBio1_000996; KBio2_000775; KBio2_003343; KBio2_005911; KBio3_001629; DTXSID00205831; NCI5113; NINDS_000996; HMS1923A09; ZINC899897; HY-N4315; BDBM50476976; CCG-36078; CCG-37331; LMPK12050244; NCGC00013053; AKOS037515007; MCULE-3476922697; SDCCGMLS-0066466.P001; IDI1_000996; NCGC00013053-02; NCGC00013053-03; NCGC00013053-04; NCGC00013053-05; NCGC00013053-06; NCGC00095220-01; NCGC00095220-02; NCGC00095220-03; NCGC00178667-01; 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4H,8H-pyrano(2,3-h)chromen-4-one; NCI60_004233; SMR001565475; CS-0032736; SR-05000002658; SR-05000002658-1; BRD-K50660510-001-04-0; Q25323752; 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4H,8H- pyrano[2,3-h]chromen-4-one; 4H,2-b:3,4-b']dipyran-4-one, 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-buten-1-yl)-; NCGC00013053-07!3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5113	.	.	.	.	420.5	C25H24O6	96.2	792	5.5	31	3	6	3	"InChI=1S/C25H24O6/c1-13(2)5-7-15-21(28)20-22(29)17(14-6-8-18(26)19(27)11-14)12-30-24(20)16-9-10-25(3,4)31-23(15)16/h5-6,8-12,26-28H,7H2,1-4H3"	CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC(=C(C=C4)O)O)C=CC(O2)(C)C)C	GHCZYXUOYFOXIP-UHFFFAOYSA-N
DG50151	"N-(1,4-dioxonaphthalen-2-yl)benzamide"	4882	"ppm-18; 65240-86-0; NQN-1; n-(1,4-dioxo-1,4-dihydronaphthalen-2-yl)benzamide; N-(1,4-dioxonaphthalen-2-yl)benzamide; 2-Benzoylamino-1,4-naphthoquinone; MLS002693850; 2-Benzamido-1,4-naphthoquinone; 2-Benzamido- 1,4-naphthoquinone; SMR001559791; NSC73233; NSC 73233; cid_4882; NCIOpen2_004005; SCHEMBL170388; GTPL7058; N-(1,4-dihydro-1,4-dioxo-2-naphthalenyl)-benzamide; CHEMBL1717890; BDBM80067; DTXSID80274449; CHEBI:185746; HMS3085F17; ZINC1698939; 1995AH; HSCI1_000119; NSC-73233; N-(1,4-diketo-2-naphthyl)benzamide; N-(1,4-dioxo-2-naphthalenyl)benzamide; SR-01000880847; N-[1,4-bis(oxidanylidene)naphthalen-2-yl]benzamide; SR-01000880847-2; Q27088039"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73233	.	.	.	.	277.27	C17H11NO3	63.2	488	2.9	21	1	3	2	"InChI=1S/C17H11NO3/c19-15-10-14(16(20)13-9-5-4-8-12(13)15)18-17(21)11-6-2-1-3-7-11/h1-10H,(H,18,21)"	C1=CC=C(C=C1)C(=O)NC2=CC(=O)C3=CC=CC=C3C2=O	BIVQBWSIGJFXLF-UHFFFAOYSA-N
DG50152	Probucol	4912	"probucol; 23288-49-5; Lorelco; Biphenabid; Bisphenabid; Lurselle; Bisbid; Lesterol; Lursell; DH-581; Panavir; Probucolum; Sinlestal; Probucolum [INN-Latin]; DH 581; Acetone bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole; 4,4'-(Isopropylidenedithio)bis(2,6-di-tert-butylphenol); 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol; UNII-P3CTH044XJ; NSC 86225; NSC 652160; Acetone, bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole; 2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenol; CHEMBL608; 4,4'-(propane-2,2-diyldisulfanediyl)bis(2,6-di-tert-butylphenol); 4,4'-(propane-2,2-diylbis(sulfanediyl))bis(2,6-di-tert-butylphenol); P3CTH044XJ; MLS000028492; CHEBI:8427; NSC86225; Phenol, 4,4'-[(1-methylethylidene)bis(thio)]bis[2,6-bis(1,1-dimethylethyl)-; MFCD00079281; NSC-86225; NSC652160; NSC-652160; 4,4'-(Isopropylidenedithio)bis(2, 6-di-tert-butylphenol); 4,4'-(Isopropylidenedithio)bis[2, 6-di-tert-butylphenol]; NCGC00016777-01; SMR000058265; Superlipid; CAS-23288-49-5; DSSTox_CID_25440; DSSTox_RID_80881; DSSTox_GSID_45440; 4,4'- (Isopropylidenedithio)bis(2,6-di-tert-butylphenol); C31H48O2S2; Phenol, 4,4'-((1-methylethylidene)bis(thio))bis(2,6-bis(1,1-dimethylethyl)-; CCRIS 7510; DH581; SR-01000695447; LORELCO (TN); EINECS 245-560-9; BRN 2026253; Serterol; Probucol,(S); Prestwick_408; Probucol [USAN:USP:INN:BAN:JAN]; DE-3872; Spectrum_001296; Acetone, bis (3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole; Opera_ID_1820; Prestwick0_000384; Prestwick1_000384; Prestwick2_000384; Prestwick3_000384; Spectrum2_001400; Spectrum3_001438; Spectrum4_000414; Spectrum5_001343; SCHEMBL4150; BSPBio_000567; BSPBio_003176; KBioGR_000708; KBioGR_002394; KBioSS_001776; KBioSS_002399; Probucol, analytical standard; DivK1c_000599; SPECTRUM1501109; Probucol (JP17/USP/INN); SPBio_001420; SPBio_002488; BPBio1_000625; GTPL7277; DTXSID2045440; HMS501N21; KBio1_000599; KBio2_001776; KBio2_002394; KBio2_004344; KBio2_004962; KBio2_006912; KBio2_007530; KBio3_002396; KBio3_002873; cMAP_000039; NINDS_000599; 4,4'- (Isopropylidenedithio)bis(2, 6-di-tert-butylphenol); HMS1569M09; HMS1921D21; HMS2092D05; HMS2096M09; HMS2233C08; HMS3655P19; HMS3713M09; Pharmakon1600-01501109; BCP06487; HY-B0388; ZINC1530755; Tox21_110605; BDBM50007260; CCG-38986; NSC757837; s2119; STK762566; AKOS001740866; Tox21_110605_1; DB01599; KS-1459; MCULE-4445301513; NSC-757837; 2,6-bis(tert-butyl)-4-{1-[3,5-bis(tert-butyl)-4-hydroxyphenylthio]-isopropylth io}phenol; IDI1_000599; NCGC00016777-02; NCGC00016777-03; NCGC00016777-04; NCGC00016777-05; NCGC00016777-06; NCGC00016777-07; NCGC00016777-08; NCGC00094895-01; NCGC00094895-02; NCGC00094895-03; NCGC00094895-04; AC-31457; BP166196; SBI-0051640.P002; DB-046120; AB00052202; FT-0630498; P2002; SW196648-3; C07373; D00476; F20384; AB00052202_14; AB00052202_15; 288P495; A918612; Acetone,5-di-tert-butyl-4-hydroxyphenyl) mercaptole; SR-01000695447-2; SR-01000695447-3; W-107409; BRD-K72029282-001-04-8; BRD-K72029282-001-15-4; Q10354103; Acetone bis(3,5-di-t-butyl-4-hydroxyphenyl) mercaptole; Z1551900339; Probucol, United States Pharmacopeia (USP) Reference Standard; Phenol,4'-[(1-methylethylidene)bis(thio)]bis[2,6-bis(1,1-dimethylethyl)-; 2,6-di-tert-butyl-4-(2-(3,5-di-tert-butyl-4-hydroxyphenylthio)propan-2-ylthio)phenol; 4,4'-[(1-methylethylidene)bis(thio)]bis[2,6-bis(1,1-dimethylethyl)phenol]; 2,6-di(tert-butyl)-4-[(1-{[3,5-di(tert-butyl)-4-hydroxyphenyl]sulfanyl}-1-methylethyl)sulfanyl]phenol; 2,6-di(tert-butyl)-4-{1-[3,5-di(tert-butyl)-4-hydroxyphenylsulfanyl]-1-methylethylsulfanyl}phenol; 2,6-di(tert-butyl)-4-{1-[3,5-di(tert-butyl)-4-hydroxyphenylsulfanyl]-1-methylethylsulfanyl}phenol(probucol); 2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydroxy-phenylsulfanyl)-1-methyl-ethylsulfanyl]-phenol; 2,6-Ditert-butyl-4-((1-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl]-1-methylethyl)sulfanyl)phenol #; 2,6-ditert-butyl-4-[1-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-methyl-ethyl]sulfanyl-phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	86225	.	.	.	.	516.799	C31H48O2S2	91.1	583	11.3	35	2	4	8	"InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C	FYPMFJGVHOHGLL-UHFFFAOYSA-N
DG50153	Propyl gallate	4947	"propyl gallate; 121-79-9; Propyl 3,4,5-trihydroxybenzoate; N-Propyl gallate; Tenox PG; Progallin P; Gallic acid, propyl ester; Nipagallin P; Gallic acid propyl ester; NIPA 49; 3,4,5-Trihydroxybenzoic acid propyl ester; Benzoic acid, 3,4,5-trihydroxy-, propyl ester; n-Propyl 3,4,5-trihydroxybenzoate; 3,4,5-Trihydroxybenzene-1-propylcarboxylate; Propylester kyseliny gallove; n-Propyl ester of 3,4,5-trihydroxybenzoic acid; FEMA No. 2947; Gallic acid n-propyl ester; NSC 2626; 3,4,5-Trihydroxybenzoic acid, propyl ester; NCI-C505888; 3,4,5-Trihydroxybenzoic acid n-propyl ester; UNII-8D4SNN7V92; Nipanox S 1; Propyl gallate (NF); Propyl gallate [NF]; CHEMBL7983; Gallic acid, n-propyl ester; E310; 8D4SNN7V92; CHEBI:10607; NSC2626; NSC-2626; MFCD00002196; NCGC00164234-01; DSSTox_CID_1201; DSSTox_RID_76009; DSSTox_GSID_21201; Gallate, Propyl; Pro gallin P; CAS-121-79-9; CCRIS 541; HSDB 591; n-Propyl-3,4,5-Trihydroxybenzoate; EINECS 204-498-2; Propylester kyseliny gallove [Czech]; Propyl galiate; AI3-17136; l ester; n-propyl-gallate; Sustane PG; n-Propyl gallate; ; Propylgallate,(S); Propyl Gallate FCC; Propyl gallate, powder; Propyl gallate, 98%; Gallic acid-propyl ester; 3,4,5-Trihydroxy-benzoic acid propyl ester; Gallic acid propyl esterZ; Propyl gallate (e 310); Oprea1_580415; SCHEMBL22630; CBDivE_013134; BIDD:ER0334; Propyl 3,5-trihydroxybenzoate; WLN: QR BQ CQ EVO3; INS NO.310; DTXSID5021201; FEMA 2947; n-Propyl 3,5-trihydroxybenzoate; Propyl gallate, >=98%, FCC; INS-310; NCI-C50588; Anhydrous propyl gallate (e 310); BCP13340; HY-N0524; ZINC1532172; Tox21_113531; Tox21_202286; Tox21_300060; BDBM50032154; s5113; 3,4,5-Trihydroxy-benzoic acid propy; AKOS001603853; ANGC-121-79-9; 5-Methyl-4,5-dihydrothiazole-2-thiol; CCG-207932; DB12450; MCULE-2693876364; NCGC00164234-02; NCGC00164234-03; NCGC00164234-04; NCGC00254138-01; NCGC00259835-01; 3,5-Trihydroxybenzene-1-propylcarboxylate; 3,5-Trihydroxybenzoic acid, propyl ester; AC-11365; AC-34485; AS-11986; NCI60_002094; Propyl gallate, USP, 98.0-102.0%; DB-003766; Benzoic acid,4,5-trihydroxy-, propyl ester; CS-0009059; E-310; EU-0036319; FT-0626599; G0018; n-Propyl ester of 3,5-trihydroxybenzoic acid; A19435; D02382; J10100; Propyl gallate, antioxidant, >=98.0% (HPLC); Q608726; SR-01000944710; Propyl gallate, for microscopy, >=98.0% (HPLC); Q-201634; SR-01000944710-1; EFFF5FFA-651C-4DE3-A25F-D807C65D5537; Propyl gallate, European Pharmacopoeia (EP) Reference Standard; Propyl gallate, United States Pharmacopeia (USP) Reference Standard; Propyl gallate, Pharmaceutical Secondary Standard; Certified Reference Material"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2626	.	.	.	.	212.2	C10H12O5	87	206	1.8	15	3	5	4	"InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3"	CCCOC(=O)C1=CC(=C(C(=C1)O)O)O	ZTHYODDOHIVTJV-UHFFFAOYSA-N
DG50154	Pyrimethamine	4993	"pyrimethamine; 58-14-0; Daraprim; 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; Chloridine; Diaminopyritamin; Ethylpyrimidine; Pirimetamin; Chloridin; Chloridyn; Pirimecidan; Pirimetamina; Pyrimethamin; Malocide; Primethamine; Darachlor; Erbaprelina; Khloridin; Tindurin; Malocid; Pyrimethaminum; 5-(4-CHLOROPHENYL)-6-ETHYL-2,4-PYRIMIDINEDIAMINE; Darapram; Daraprime; Malacid; Maloprim; Pyremethamine; 2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-; 2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine; RP 4753; 2,4-Diamino-5-chlorophenyl-6-ethylpyrimidine; BW 50-63; 2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine; 5-(4'-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine; TCMDC-125860; NCI-C01683; WR 2978; 5-(4-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine; UNII-Z3614QOX8W; GNF-Pf-5586; 4753 R.P.; TCMDC-123831; NSC-3061; CHEMBL36; 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE; 2,4-Pyrimidinediamine, 5-(p-chlorophenyl)-6-ethyl-; MLS000028606; MLS002701881; CHEBI:8673; Z3614QOX8W; Daraclor; NSC3061; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine; Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-ethyl-; CAS-58-14-0; NCGC00016256-08; SMR000058714; Tinduring; Pirimetamina [Spanish]; DSSTox_CID_1217; DSSTox_RID_76016; DSSTox_GSID_21217; CP6; Pirimetamina [INN-Spanish]; Pyrimethaminum [INN-Latin]; BRD9204; BRD-9204; Daraprim (TN); CCRIS 546; Pyrimethamine (Pyr); SR-01000003150; NSC 3061; EINECS 200-364-2; BRN 0219864; CRL-8131 & Pyrimethamine; CRL-8142 & Pyrimethamine; Lactoferrin B & Pyrimethamine; Lactoferrin H & Pyrimethamine; AI3-25005; Pyrimethamine (JAN/USP/INN); AZT + Pyrimethamine combination; HSDB 8042; EXR-101; Pyrimethamine [USP:INN:BAN:JAN]; Prestwick_504; MFCD00057350; BW 5063; Daraclor (Salt/Mix); Spectrum_000906; 4km0; CPD000058714; Opera_ID_1437; Prestwick0_000037; Prestwick1_000037; Prestwick2_000037; Prestwick3_000037; Spectrum2_000886; Spectrum3_001701; Spectrum4_000494; Spectrum5_001447; cid_4993; NCIOpen2_008313; BIDD:PXR0173; SCHEMBL25129; BSPBio_000133; BSPBio_003282; KBioGR_001007; KBioSS_001386; MLS001148621; MLS002454446; BIDD:GT0149; DivK1c_000652; SPECTRUM1500520; SPBio_000672; SPBio_002054; BPBio1_000147; GTPL4800; DTXSID9021217; BDBM18512; HMS502A14; KBio1_000652; KBio2_001386; KBio2_003954; KBio2_006522; KBio3_002502; ZINC57464; NINDS_000652; Pirimecidan;Pirimetamin;RP 4753; HMS1568G15; HMS1920N12; HMS2092E13; HMS2095G15; HMS2235A17; HMS3259C04; HMS3371L07; HMS3655D09; HMS3675P11; HMS3712G15; HMS3743O05; HMS3871I03; Pharmakon1600-01500520; 2, 5-(p-chlorophenyl)-6-ethyl-; 2, 5-(4-chlorophenyl)-6-ethyl-; Tox21_110332; Tox21_201834; Tox21_300129; CCG-39626; NSC757306; AKOS015892534; Tox21_110332_1; AB02313; AC-7879; CS-1717; DB00205; KS-5223; LS40239; NC00528; NSC-757306; RP-4753; WR-2978; IDI1_000652; NCGC00016256-01; NCGC00016256-02; NCGC00016256-03; NCGC00016256-04; NCGC00016256-05; NCGC00016256-06; NCGC00016256-07; NCGC00016256-09; NCGC00016256-10; NCGC00016256-11; NCGC00016256-12; NCGC00016256-13; NCGC00016256-14; NCGC00016256-16; NCGC00016256-17; NCGC00023188-03; NCGC00023188-04; NCGC00023188-05; NCGC00023188-06; NCGC00023188-07; NCGC00254199-01; NCGC00259383-01; WLN: T6N CNJ BZ DZ ER DG& F2; HY-18062; NCI60_002604; SBI-0051500.P003; DB-053158; AB00052084; FT-0631253; P2037; S2006; SW196698-3; C07391; D00488; MLS-0002822.0001; AB00052084-21; AB00052084_22; AB00052084_25; 057P350; 2,4-diamino-5(4-chlorophenyl)-6-ethylpyrimidine; A831755; L000713; Pyrimethamine, VETRANAL(TM), analytical standard; Pyrimidine,4-diamino-5-(p-chlorophenyl)-6-ethyl-; Q421072; 2,4,-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine; 2,4-diamino-5-(4-chloro-phenyl)-6-ethylpyrimidine; 2,4-diamino-6-ethyl-5-(4-chlorophenyl)pyrimidine; Q-201648; SR-01000003150-2; SR-01000003150-4; BRD-K88429204-001-05-4; BRD-K88429204-001-18-7; BRD-K88429204-001-21-1; BRD-K88429204-001-36-9; Z2065727768; 2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine, 97%; Pyrimethamine, European Pharmacopoeia (EP) Reference Standard; Pyrimethamine, United States Pharmacopeia (USP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3061	.	.	.	.	248.71	C12H13ClN4	77.8	243	2.7	17	2	4	2	"InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)"	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N
DG50155	Pyroxamide	4996	"pyroxamide; 382180-17-8; N1-hydroxy-N8-(pyridin-3-yl)octanediamide; N-Hydroxy-N'-3-pyridinyloctanediamide; NSC-696085; N'-hydroxy-N-pyridin-3-yloctanediamide; UNII-12N86DSS23; Octanediamide, N-hydroxy-N'-3-pyridinyl-; NSC696085; 12N86DSS23; C13H19N3O3; Octanedioic acid hydroxyamide pyridin-3-ylamide; NSC 696085; POLAR HYBRID COMPOUND; suberoyl-3-aminopyridineamide hydroxamic acid; N-Hydroxy-N'-(3-pyridyl)-1,8-octanediamide; 8-(hydroxyamino)-8-oxo-N-(3-pyridyl)octanamide; MLS006010135; SCHEMBL154681; CHEMBL353581; Pyroxamide - NSC 696085; Pyroxamide, >=97% (HPLC); CHEBI:93953; DTXSID70191595; EX-A085; BCPP000095; BCP02301; ZINC3820709; BDBM50473982; MFCD13194970; AKOS015899763; DB12847; N-(3-Pyridyl)-N'-hydroxyoctanediamide; QC-1959; N-Hydroxy-N'-3-pyridinyloctanediamid e; N\\'-hydroxy-N-pyridin-3-yloctanediamide; NCGC00346891-01; AS-19542; HY-13216; NCI60_034337; SMR004701260; CS-0003180; FT-0734893; Y0215; A25478; 180P178; A1-01901; BRD-K11663430-001-01-5; Q27165709"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696085	.	.	.	.	265.31	C13H19N3O3	91.3	284	0.9	19	3	4	8	"InChI=1S/C13H19N3O3/c17-12(15-11-6-5-9-14-10-11)7-3-1-2-4-8-13(18)16-19/h5-6,9-10,19H,1-4,7-8H2,(H,15,17)(H,16,18)"	C1=CC(=CN=C1)NC(=O)CCCCCCC(=O)NO	PTJGLFIIZFVFJV-UHFFFAOYSA-N
DG50156	Quinalizarin	5004	"quinalizarin; 1,2,5,8-Tetrahydroxyanthraquinone; 81-61-8; Alizarinbordeaux; Alizarine Bordeaux B; 1,2,5,8-tetrahydroxyanthracene-9,10-dione; Khinalizarin; Quinalizarine; Alizarine Bordeaux; 1,4,5,6-Tetrahydroxyanthraquinone; C.I. Mordant Violet 26; 1,2,5,8-Tetrahydroxy-9,10-anthraquinone; 9,10-Anthracenedione, 1,2,5,8-tetrahydroxy-; Alizarin Bordeaux BD; C.I. 58500; 1,2,5,8-Tetrahydroxy-9,10-anthracenedione; NSC 144046; 1,2,5,8-Tetrahydroxyanthracinon; UNII-6D43C3LYSG; NSC 4896; Anthraquinone, 1,2,5,8-tetrahydroxy-; NSC4896; 6D43C3LYSG; CHEMBL29898; 1,2,5,8-Tetrahydroxyanthra-9,10-quinone; CHEBI:37495; 1,2,5,8-Tetrahydroxy-Anthraquinone; MFCD00001205; 1,5,8-Tetrahydroxyanthracinon; 9, 1,2,5,8-tetrahydroxy-; 1,5,8-Tetrahydroxyanthraquinone; Anthraquinone,2,5,8-tetrahydroxy-; 1,5,8-Tetrahydroxy-9,10-anthraquinone; CCRIS 5598; EINECS 201-366-6; 1,2,5,8-Tetrahydroxy anthraquinone; BRN 1889617; Alizarinbordeux; Chinalizarin; Quinalizarin, E; TXQ; Mordant Violet 26; Spectrum_000952; 3fl5; Spectrum2_001362; Spectrum3_000778; Spectrum4_000998; Spectrum5_000846; BSPBio_002456; KBioGR_001435; KBioSS_001432; 4-08-00-03683 (Beilstein Handbook Reference); DivK1c_000144; SCHEMBL138122; SPECTRUM1500759; SPBio_001284; DTXSID4052558; HMS500H06; KBio1_000144; KBio2_001432; KBio2_004000; KBio2_006568; KBio3_001676; PHF 016; Quinalizarin, >=95% (HPLC); NINDS_000144; HMS1923K15; NSC-4896; ZINC3874832; BBL012309; BDBM50041419; CCG-38979; NSC144046; STK803167; AKOS004901435; DB08660; MCULE-6434498680; NSC-144046; 1, 2, 5, 8-Tetrahydroxyanthraquinone; IDI1_000144; NCGC00095268-01; NCGC00095268-02; NCGC00095268-03; NCI60_004175; VS-03274; 1,5,8,10-tetrahydroxy-2,9-anthraquinone; 2,5,8,9-tetrahydroxy-1,10-anthraquinone; 2,8,9,10-tetrahydroxy-1,5-anthraquinone; 4,5,6,9-tetrahydroxy-1,10-anthraquinone; 4,7,8,9-tetrahydroxy-1,10-anthraquinone; 4,8,9,10-tetrahydroxy-1,7-anthraquinone; 5,6,9,10-tetrahydroxy-1,4-anthraquinone; 5,8,9,10-tetrahydroxy-1,2-anthraquinone; FT-0606262; X6974; 1,2,5,8-Tetrahydroxyanthra-9,10-quinone #; 3,4-Dihydro-4-oxo-5-quinazolinecarboxylicacid; A840172; SR-01000196297; Q1073575; SR-01000196297-1; 1,2,5,8-tetrahydroxy-9,10-dihydroanthracene-9,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4896	.	.	.	.	272.21	C14H8O6	115	435	2.5	20	4	6	0	"InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H"	C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)O)O)O	VBHKTXLEJZIDJF-UHFFFAOYSA-N
DG50157	rac-3-Octadecanamido-2-methoxypropyl phosphocholine	5030	"88876-07-7; rac-3-Octadecanamido-2-methoxypropyl phosphocholine; CP-50; rac-3-Octadecanamido-2-Methoxypropan-1-ol Phosphocholine; NSC624872; 163702-19-0; [2-methoxy-3-(octadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate; 3,5-Dioxa-9-aza-4-phosphaheptacosan-1-aminium,4-hydroxy-7-methoxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide; 3,5-Dioxa-9-aza-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (1)-; NSC 624872; CHEMBL31303; SCHEMBL7450233; DTXSID301008543; NSC-624872; FT-0673181; 2-Methoxy-3-stearamidopropyl (2-(trimethylammonio)ethyl) phosphate; rac-2-Methoxy-3-octadecanamido-1-propylphosphocholine, >96% (TLC); 2-[hydroxy-[2-methoxy-3-(octadecanoylamino)propoxy]phosphoryl]oxyethyl-trimethyl-ammonium; 3-[(1-Hydroxyoctadecylidene)amino]-2-methoxypropyl 2-(trimethylazaniumyl)ethyl phosphate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624872	.	.	.	.	536.7	C27H57N2O6P	96.9	563	6.6	36	1	6	26	"InChI=1S/C27H57N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)28-24-26(33-5)25-35-36(31,32)34-23-22-29(2,3)4/h26H,6-25H2,1-5H3,(H-,28,30,31,32)"	CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OC	KTJPWDKOKGANNX-UHFFFAOYSA-N
DG50159	NSC359079	5043	"MLS002701854; 93908-02-2; 5,21-Dichloro-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione; NSC359079; Neuro_000196; CHEMBL27000; SCHEMBL12961242; NSC-359079; NCI60_003256; SMR001565446; A20190; 5H-Indolo[2,4-c]carbasole-5,7(6H)-dione, 1,11-dichloro-12,13-dihydro-12-(4-O-methyl-.beta.-D-glucopyranosyl)-; 5H-Indolo[2,4-c]carbazole-5,7(6H)-dione, 1,11-dichloro-12,13-dihydro-12-(4-O-methyl-.beta.-D-glucopyranosyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	359079	.	.	.	.	570.4	C27H21Cl2N3O7	146	1010	2.6	39	5	7	3	"InChI=1S/C27H21Cl2N3O7/c1-38-24-13(8-33)39-27(23(35)22(24)34)32-20-10(5-3-7-12(20)29)15-17-16(25(36)31-26(17)37)14-9-4-2-6-11(28)18(9)30-19(14)21(15)32/h2-7,13,22-24,27,30,33-35H,8H2,1H3,(H,31,36,37)"	COC1C(OC(C(C1O)O)N2C3=C(C=CC=C3Cl)C4=C5C(=C6C7=C(C(=CC=C7)Cl)NC6=C42)C(=O)NC5=O)CO	QEHOIJJIZXRMAN-UHFFFAOYSA-N
DG50160	"1-[3,4-Dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxamide"	5064	"1-pentofuranosyl-1h-1,2,4-triazole-3-carboxamide; Ribasphere; ICN 1229; 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,2,4-triazole-3-carboxamide; NSC 163039; Ribamide; Ribamidil; 1H-1,2,4-Triazole-3-carboxamide, 1-.beta.-D-ribofuranosyl-; 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxamide; 1192243-01-8; NSC163039; NCGC00015904-02; RTC; Rebetron (Salt/Mix); CHEMBL34; Oprea1_061838; SCHEMBL4064991; CHEBI:94463; HMS3259D04; HMS3371C16; HMS3656E10; BBL005903; STK029646; STL454985; ZINC01035331; ZINC01091444; AKOS005380958; MCULE-1246105264; NC00688; NCGC00015904-05; NCGC00095898-01; SY055294; VS-01598; FT-0630597; FT-0649908; FT-0674408; EN300-49855; BRD-A96255180-001-01-2; Q27166325; 1,4-Triazole-3-carboxamide, 1-.beta.-D-ribofuranosyl-; 1-,beta,-D-Ribofuranosyl-1,2,4-triazole-3-carboxamide; 1-pentofuranosyl-1H-1,2,4-triazole-3-carboximidic acid; 1,2,4-Triazole-3-carboxamide, 1-.beta.-D-ribofuranosyl-; 1-.beta.-D-Ribofuranosyl-1H-1,2,4-triazole-3-carboxamide; 1-.beta.-D-Ribofuranosyl-1H-1,4-triazole-3-carboxamide; 1H-1,4-Triazole-3-carboxamide, 1-.beta.-D-ribofuranosyl-; 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-1H-1,2,4-triazole-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163039	.	.	.	.	244.2	C8H12N4O5	144	304	-1.8	17	4	7	3	"InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)"	C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N	IWUCXVSUMQZMFG-UHFFFAOYSA-N
DG50161	Ritanserin	5074	"ritanserin; 87051-43-2; Tiserton; Ritanserine; Ritanserina; Ritanserinum; R-55667; R 55,667; 6-(2-(4-(bis(4-fluorophenyl)methylene)piperidin-1-yl)ethyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one; UNII-145TFV465S; 6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one; MFCD00069341; MLS000069360; CHEMBL267777; 6-(2-(4-(Bis(4-fluorophenyl)methylene)piperidin-1-yl)-ethyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one; 6-(2-(4-(Bis(p-fluorophenyl)methylene)-piperidino)ethyl)-7-methyl-5H-thiazolo-(3,2-a)pyrimidin-5-one; 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one; CHEBI:64195; 145TFV465S; NSC-758470; NCGC00015877-06; SMR000058511; DSSTox_CID_22594; DSSTox_RID_80055; DSSTox_GSID_42594; 6-[2-[4-(bis(4-Fluorophenyl)methylene]-1-piperidinyl]ethyl]-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one; 6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[2,3-b]pyrimidin-5-one; Ritanserine [French]; Ritanserinum [Latin]; Ritanserina [Spanish]; C27H25F2N3OS; 5H-Thiazolo(3,2-a)pyrimidin-5-one, 6-(2-(4-bis(4-fluorophenyl)methylene)-1-piperidinyl)ethyl)-7-methyl-; 6-[2-[4-[bis(4-fluorophenyl)methylene]-1-piperidinyl]ethyl]-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one; CAS-87051-43-2; SR-01000000024; Ritanserin [USAN:INN:BAN]; Ritanserin, powder; Tiserton (TN); 5H-Thiazolo[3,2-a]pyrimidin-5-one, 6-[2-[4-bis(4-fluorophenyl)methylene]-1-piperidinyl]ethyl]-7-methyl-; 6-[2-[4-[Bis(p-fluorophenyl)methylene]-piperidino]ethyl]-7-methyl-5H-thiazolo-[3,2-a]pyrimidin-5-one; Spectrum_001830; Lopac-R-103; Opera_ID_1609; Ritanserin (USAN/INN); Spectrum2_001560; Spectrum3_001023; Spectrum5_001504; GTPL97; cid_5074; Lopac0_001083; REGID_for_CID_5074; SCHEMBL49227; BSPBio_002805; KBioSS_002335; MLS001148629; DivK1c_000192; SPBio_001440; DTXSID9042594; HMS500J14; KBio1_000192; KBio2_002332; KBio2_004900; KBio2_007468; KBio3_002025; NINDS_000192; HMS2093E19; HMS2233M22; HMS3263I08; HMS3268O04; HMS3373O19; HMS3412N14; HMS3676N14; Pharmakon1600-01503421; ZINC538314; BCP13728; Tox21_110251; Tox21_501083; 3726AC; BDBM50001775; CCG-39338; NSC758470; NSC805597; AKOS015909799; Tox21_110251_1; DB12693; LP01083; NSC 758470; NSC-805597; SDCCGSBI-0051053.P004; 6-[2-[4-[Bis(4-fluorophenyl)Methylidene]piperidin-1-yl]ethyl]-7-Methyl-[1,3]thia; IDI1_000192; NCGC00015877-01; NCGC00015877-02; NCGC00015877-03; NCGC00015877-04; NCGC00015877-05; NCGC00015877-07; NCGC00015877-08; NCGC00015877-09; NCGC00015877-11; NCGC00015877-15; NCGC00022447-03; NCGC00022447-04; NCGC00022447-05; NCGC00178460-01; NCGC00261768-01; 6-[2-[4-[bis(4-fluorophenyl)methylene]-1-piperidyl]ethyl]-7-methyl-thiazolo[3,2-a]pyrimidin-5-one; AC-30888; BS-49232; HY-10791; SY274388; SBI-0051053.P003; DB-056967; B6898; CS-0002823; EU-0101083; FT-0630948; R-103; D05738; AB00053288_14; 051R432; A848404; L001003; R 55667R 55667; Q3937260; SR-01000000024-3; SR-01000000024-4; BRD-K40887525-001-02-9; BRD-K40887525-001-14-4; ethyl]-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one; 6-[2-[4-bis(4-Fluorophenyl)methylene]-1-piperidinyl]-; (+)-6-[2-[4-[bis(4-fluorophenyl)methylene]-1-piperidinyl]ethyl]-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one; (ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidin-1-yl}-ethyl)-7-methyl-2,3-dihydro-1H-indolizin-5-one; (ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidin-1-yl}-ethyl)-7-methyl-thiazolo[3,2-a]pyrimidin-5-one; 6-(2-(4-[Bis(4-fluorophenyl)methylene]-1-piperidinyl)ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one #; 6-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidin-1-yl}-ethyl)-7-methyl-8,8a-dihydro-thiazolo[3,2-a]pyrimidin-5-one; 6-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidin-1-yl}-ethyl)-7-methyl-thiazolo[3,2-a]pyrimidin-5-one; 6-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidin-1-yl}-ethyl)-7-methyl-thiazolo[3,2-a]pyrimidin-5-one (Ritanserin); 6-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidin-1-yl}-ethyl)-7-methyl-thiazolo[3,2-a]pyrimidin-5-one(Ritanserin); 6-[2-[4-[bis(4-fluorophenyl)-methylene]-1-piperidinyl]ethyl]-7-methyl-5H-thiazolo[3,2-a]-pyrimidin-5-one; E2J"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805597	.	.	.	.	477.6	C27H25F2N3OS	61.2	877	5.2	34	0	6	5	"InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3"	CC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)CC3	JUQLTPCYUFPYKE-UHFFFAOYSA-N
DG50162	2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol	5097	"186692-44-4; 2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol; Roscovitin; Roscovitine, (S)-Isomer; CHEMBL52387; 2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol; Seliciclib, (+/-)-; Seliciclib, (RS)-; Seliciclib (+/-)-form [MI]; (R,S)-Roscovitine; (+/-)-seliciclib; (+/-)-Roscovitine; Kinome_2869; Kinome_2871; Roscovitine - Seliciclib; (RS)-ROSCOVITINE; SCHEMBL172593; 2-(1-ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine; BDBM7585; DTXSID90870173; EX-A498; HMS3260B12; HMS3265A03; HMS3265A04; HMS3265B03; HMS3265B04; HMS3654O10; BCP19053; Tox21_500245; MFCD02266403; NSC683246; AKOS030241656; CCG-205178; LP00245; NSC-683246; SB16650; 1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-; 2,6,9-Trisubstituted purine deriv. 27; NCGC00260930-01; NCI60_029800; DB-014986; EU-0101102; FT-0674460; FT-0711432; R 7772; 692R444; A880620; SR-01000076109; SR-01000076109-2; Q27273946; R-roscovitine;CYC202; CYC202; CYC 202;Seliciclib; 2-((6-(Benzylamino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol; 2-(1-D,L-Hydroxymethylpropylamino)-6-benzylamino-9-isopropylpurine; 2-[[6-(Benzylamino)-9-isopropyl-9H-purine-2-yl]amino]-1-butanol; (R)-2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine; 2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683246	.	.	.	.	354.4	C19H26N6O	87.9	417	3.2	26	3	6	8	"InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)"	CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-UHFFFAOYSA-N
DG50163	NSC114572	5114	"ryanodine; 15662-33-6; CHEMBL308183; NSC114572; NSC-114572; Ryanodine Derivative; 10-epi-hydroxy-Ryanodine; 1H-Pyrrole-2-carboxylic acid, (3S,4R,4aR,6S,6aS,7S,8R,8aS,8bR,9S,9aS)-dodecahydro-4,6,7,8a,8b,9a-hexahydroxy-3,6a,9-trimethyl-7-(1-methylethyl)-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl ester; BDBM50051434; DB-043327; FT-0630429; J-009322"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114572	.	.	.	.	493.5	C25H35NO9	173	1010	-0.5	35	7	9	4	"InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3"	CC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1O)O4)O)O)OC(=O)C6=CC=CN6)(C(C)C)O)C)O)C)O	JJSYXNQGLHBRRK-UHFFFAOYSA-N
DG50164	Antibiotic B 14437 (base)	5153	"Antibiotic B 14437 (base); 90813-74-4; NSC65346; Sauzivamycin; NSC-65346; SKI 27013; 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide; B 90912; MLS000517268; MLS002703016; Antibiotic B-14437; SMR000127424; B-14437; Neuro_000028; Neuro_000078; CHEMBL328834; SCHEMBL12284269; BDBM32338; cid_9549170; DTXSID30920146; 7H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-.beta.-D-ribofuranosyl-; BCP32776; NSC134339; NSC-134339; NCGC00247059-01; NCI60_000957; NCI60_018656; SMR001566824; DB-044520; 4-Amino-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboximidic acid; 4-Amino-7-.beta.-D-ribofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carboxamide; 4-amino-7-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide;hydrate; 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-pyrrolo[2,3-d]pyrimidinecarboxamide;hydrate; 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;hydrate; 4-azanyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;hydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	65346	.	.	.	.	309.28	C12H15N5O5	170	440	-2.5	22	5	8	3	"InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)"	C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C(=O)N	OBZJZDHRXBKKTJ-UHFFFAOYSA-N
DG50165	4-(4-Fluorophenyl)-1-(4-piperidinyl)-5-(2-amino-4-pyrimidinyl)-imidazole	5164	"SB220025; sb 220025; 165806-53-1; 3erk; SB-220025; 4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine; UNII-MX95H97VRG; MX95H97VRG; CHEMBL274064; CHEBI:82713; 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE; SB4; 4-[5-(4-fluorophenyl)-3-(4-piperidyl)imidazol-4-yl]pyrimidin-2-amine; SB-220025-A; 1-(4-piperidinyl)-4-(4-fluorophenyl)-5-(2-(amino)-4-pyrimidinyl)imidazole; 1-(4-piperidinyl)-4-(4-fluorophenyl)-5-[2-(amino)-4-pyrimidinyl]imidazole; Kinome_3166; 1bl7; SCHEMBL173441; GTPL6038; ZINC7258; BDBM15239; HMS3229M12; NSC756416; NSC756417; 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine; AKOS017344571; CCG-206879; DB04338; NSC-756416; NSC-756417; NCGC00165900-01; NCGC00165900-02; NCGC00165900-03; AB01092383-01; AB01092383-02; J-010231; Q27088707; 1-(4-piperidinyl)-4-(4-fluorophenyl)-5-[2-(amino)-4-pyrimdinyl]imidazole; 1-(4-piperidinyl)-4-(4-fluorophenyl)-5-[2-(amino)-4pyrimidinyl]imidazole; 4-[1-(Piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine-2-amine; 2-Pyrimidinamine, 4-(4-(4-fluorophenyl)-1-(4-piperidinyl)-1H-imidazol-5-yl)-; 4-(4-(4-Fluorophenyl)-1-(4-piperidinyl)-1H-imidazol-5-yl)-2-pyrimidinamine; 4-[4-(4-fluorophenyl)-1-piperidin-4-yl-1H-imidazol-5-yl]pyrimidin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756416	.	.	.	.	338.4	C18H19FN6	81.6	424	1.4	25	2	6	3	"InChI=1S/C18H19FN6/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)"	C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F	VSPFURGQAYMVAN-UHFFFAOYSA-N
DG50166	4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole	5169	"152121-30-7; SB 202190; SB202190; SB-202190; FHPI; SB202190 (FHPI); 4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)-1H-imidazole; 4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole; UNII-PVX798P8GI; CHEBI:79090; 4-(4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl)phenol; Phenol, 4-[4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]-; PVX798P8GI; C20H14FN3O; 4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol; MFCD00941964; 4-[4-(4-Fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]phenol; 4-[5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-imidazol-2-yl]phenol; 4-(5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-imidazol-2-yl)phenol; phenol, 4-(4-(4-fluorophenyl)-5-(4-pyridinyl)-1h-imidazol-2-yl)-; SMR001230795; Kinome_3708; Tocris-1264; BiomolKI_000051; 4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)1H-imidazole; Lopac-S-7067; biotinylated SB202190; BiomolKI2_000057; Lopac0_000173; BMK1-F3; BSPBio_001106; KBioGR_000446; KBioSS_000446; MLS002153419; MLS006010258; SCHEMBL158854; CHEMBL278041; GTPL4307; SCHEMBL1230814; DTXSID7041120; BDBM13531; CHEBI:92952; KBio2_000446; KBio2_003014; KBio2_005582; KBio3_000831; KBio3_000832; AOB2557; EX-A313; SYN1073; 4o77; Bio1_000479; Bio1_000968; Bio1_001457; Bio2_000393; Bio2_000873; HMS1362H07; HMS1792H07; HMS1990H07; HMS2235B15; HMS3229M22; HMS3244I13; HMS3244I14; HMS3244J13; HMS3260D07; HMS3267J19; HMS3371G22; HMS3403H07; HMS3412C22; HMS3654O15; HMS3674G07; HMS3676C22; BCP00675; Tox21_500173; BDBM50044784; NSC789969; s1077; ZINC14951176; ZINC89221712; AKOS005146403; AKOS026750414; AKOS037643394; ACN-053035; CCG-100655; CCG-204268; CS-0141; LP00173; NSC-789969; QC-9800; SDCCGSBI-0050161.P003; 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one; IDI1_002148; SMP2_000191; NCGC00015962-01; NCGC00015962-02; NCGC00015962-03; NCGC00015962-04; NCGC00015962-05; NCGC00015962-06; NCGC00015962-07; NCGC00015962-08; NCGC00015962-09; NCGC00015962-10; NCGC00015962-27; NCGC00025089-01; NCGC00025089-02; NCGC00025089-03; NCGC00025089-04; NCGC00025089-05; NCGC00025089-06; NCGC00260858-01; AC-32866; AS-16228; HY-10295; EU-0100173; FT-0743934; SW218110-2; X7402; EC-000.2317; F17395; S 7067; SB 202190, >=98% (HPLC); 121S307; SR-01000075720; SR-01000597393; J-513574; J-690315; SR-01000075720-1; SR-01000597393-1; BRD-K54330070-001-05-5; BRD-K54330070-001-07-1; InSolution SB 202190 - CAS 152121-30-7; Q27088696; Q27164687; SB 202190 - CAS 152121-30-7; 4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-phenol; 4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]phenol; 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol; 4-[4-(4-Fluorphenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]phenol; FHPI; ; ; 4-(4-(4-Fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl)phenol; 4-[4-(4-fluorophenyl)-5-(4-pyridyl)-4-imidazolin-2-ylidene]cyclohexa-2,5-dien-1-one; 2RE; 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1,3-dihydroimidazol-2-ylidene]-1-cyclohexa-2,5-dienone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789969	.	.	.	.	331.3	C20H14FN3O	61.8	415	3.7	25	2	4	3	"InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)"	C1=CC(=CC=C1C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)O	QHKYPYXTTXKZST-UHFFFAOYSA-N
DG50167	Semustine	5198	"semustine; 13909-09-6; Methyl-CCNU; MeCCNU; METHYL CCNU; trans-Methyl-CCNU; 1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea; Lomustine, methyl-; Semustina; Semustinum; Urea, N-(2-chloroethyl)-N'-(4-methylcyclohexyl)-N-nitroso-; ICIG 1110; NSC 95441; N-(2-Chloroethyl)-N'-(4-methylcyclohexyl)-N-nitrosourea; UNII-EGU4CMI14D; NCI-C04955; Lomustine, methyl; UNII-2281H4FBL9; NSC95441; EGU4CMI14D; CHEBI:6863; Urea, 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitroso-; 1-(2-Chloroethyl)-3-(trans-4-methylcyclohexane)-1-nitrosourea; 2281H4FBL9; Urea, 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitroso-, trans-; UNII-6YY7T1T567; NSC-758471; 33185-87-4; 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitroso-urea; NCGC00095051-01; N-(2-Chloroethyl)-N'-(trans-4-methylcyclohexyl)-N-nitrosourea; Urea, N-(2-chloroethyl)-N'-(4-methylcyclohexyl)-N-nitroso-, trans-; 1-(2-Choroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea; trans-Semustine; cis-Semustine; Urea, 3-(beta-chloroethyl)-1-(4-methylcyclohexyl)-3-nitroso-; methyl lomustine; Semustine [USAN:INN]; Semustinum [INN-Latin]; Semustina [INN-Spanish]; 1-(2-Chloroethyl)-1-([(4-methylcyclohexyl)amino]carbonyl)-2-oxohydrazine; cis-Methyl CCNU; SMR000058889; trans-Methyl CCNU; 6YY7T1T567; MeCCNU (trans); CCRIS 6336; Me-CCNU; 1-[2-Chloroethyl]-3-[4-methylcyclohexyl]-1-nitrosourea; NSC 135091; 1-(2-Chloroethyl)-1-(((4-methylcyclohexyl)amino)carbonyl)-2-oxohydrazine; HSDB 7760; NSC-95441; Prestwick_1013; Methyl-CCNU [Chloroethyl nitrosoureas]; Spectrum_001335; cis-1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea; AI3-52897; Semustine (USAN/INN); Spectrum2_000911; Spectrum3_000966; Spectrum4_001084; Spectrum5_001087; Urea, N-(2-chloroethyl)-N'-(4-methylcyclohexyl)-N-nitroso-, cis-; SCHEMBL4500; DSSTox_CID_11603; DSSTox_RID_78887; DSSTox_GSID_31603; BSPBio_002571; KBioGR_001468; KBioSS_001815; 33073-59-5; MLS000069831; MLS001074931; CHEMBL12948; DivK1c_000020; SPECTRUM1503422; SPBio_000782; SCHEMBL4959160; CHEMBL1967746; CHEMBL2051944; DTXSID8031603; HMS500A22; ICIG-1110; KBio1_000020; KBio2_001815; KBio2_004383; KBio2_006951; KBio3_001791; NINDS_000020; HMS1922C16; HMS2093E21; Pharmakon1600-01503422; 1-trans-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea; ZINC3874951; Tox21_111404; CCG-39897; NSC135091; NSC758471; Urea, 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitroso-, (Z)-; Urea, N-(2-chloroethyl)-N'-(4-methylcyclohexyl)-N-nitroso-, cis- (9CI); NSC-135091; 1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea [Chloroethyl nitrosoureas]; IDI1_000020; QTL1_000073; NCGC00095051-02; NCGC00095051-03; NCGC00095051-04; HY-13747; NCI60_042122; SBI-0051825.P002; CAS-13909-09-6; CS-0007775; C07640; D05822; AB01563283_01; 909S096; SR-01000763446; J-007221; Q1230937; SR-01000763446-2; Q27253629; Q27277177; 1-(2-Chloroethyl)-3-(4-methyl-cyclohexyl)-1-nitrosourea; UNII-6YY7T1T567 component FVLVBPDQNARYJU-DTORHVGOSA-N; UNII-6YY7T1T567 component FVLVBPDQNARYJU-KYZUINATSA-N; cis-N-(2-chloroethyl)-N'-(4-methylcyclohexyl)-N-nitroso-urea; trans-N-(2-chloroethyl)-N'-(4-methylcyclohexyl)-N-nitroso-urea; 1-(2-Chloroethyl)-3-(4alpha-methylcyclohexan-1alpha-yl)-1-nitrosourea; 1-(2-Chloroethyl)-3-(4beta-methylcyclohexan-1alpha-yl)-1-nitrosourea; Urea, 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitroso-, cis- (8CI); Urea, 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitroso-, trans- (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95441	.	.	.	.	247.72	C10H18ClN3O2	61.8	242	3.3	16	1	3	3	"InChI=1S/C10H18ClN3O2/c1-8-2-4-9(5-3-8)12-10(15)14(13-16)7-6-11/h8-9H,2-7H2,1H3,(H,12,15)"	CC1CCC(CC1)NC(=O)N(CCCl)N=O	FVLVBPDQNARYJU-UHFFFAOYSA-N
DG50168	Sennosides	5199	"Sennosides; Sennaglucosides; sennoside; 517-43-1; Sennoside A&B; Senna-lax; Sennoside [JAN]; 9-[2-carboxy-4-hydroxy-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid; Sennosides A and B; SENNA; EINECS 208-238-9; SennosideA; Senna glycosides; NSC112929; NSC112930; (9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid; 5,5'-bis(hexopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid; Sennoside A1 , HPLC Grade; CHEMBL54481; SENNOSIDES, USP STANDARD; SCHEMBL19235654; HMS3373D11; BCP14626; BCP14631; HY-N0365; MFCD32068370; STL453210; AKOS015895190; DB11365; MCULE-4391474837; NSC-112929; NSC-112930; 5,5'-Bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy(9,9'-bianthrachinon)-2,2'-dicarbonsaeure; (9,9'-Bianthracene)-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-; 5,5'-Bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo(9,9'-bianthracene)-2,2'-dicarboxylic acid; DB-041901; DB-056508; CS-0008914; 62211-03-4; [9,2'-dicarboxylic acid, 5,5'-bis(.beta.-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (R*,R*)- (VA; [9,9'-Bianthracene]-2,2'-dicarboxylic acid,5,5'-bis(b-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (R*,R*)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112929	.	.	.	.	862.7	C42H38O20	348	1550	1.2	62	12	20	9	"InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)"	C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O	IPQVTOJGNYVQEO-UHFFFAOYSA-N
DG50169	NSC344025	5201	"Sergiolide; 82290-17-3; NSC344025; CHEMBL1975433; DTXSID201002592; NSC-344025; 3,10H-furo[3,4-c]furo[2',3':6,7]naphtho[2,3-b] pyran-3(3aH)-carboxylic acid, 4-(acetyloxy)-4,5,6a,7,7a,8, 12a,13-octahydro-14,15-dihydroxy-8,12a-dimethyl-5,10-dioxo-, methyl ester, (3S,3aS,4R,6aR,7aS,8S,12aS,13R,13aR,14R,15S)-; Methyl 4-(acetyloxy)-1,2-dihydroxy-8,12a-dimethyl-5,10-dioxo-1,4,5,6a,7,7a,8,10,12a,12b-decahydro-2H-3,12c-(epoxymethano)furo[2',3':6,7]phenanthro[10,1-bc]pyran-3(3aH)-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	344025	.	.	.	.	504.5	C25H28O11	155	1160	0.5	36	2	11	4	"InChI=1S/C25H28O11/c1-9-11-5-15(27)35-13(11)7-23(3)12(9)6-14-24-8-33-25(22(31)32-4,20(29)16(28)18(23)24)19(24)17(21(30)36-14)34-10(2)26/h5,7,9,12,14,16-20,28-29H,6,8H2,1-4H3"	CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C)(C(C(C5C2(C=C6C1=CC(=O)O6)C)O)O)C(=O)OC	ZZKFDOQILIXHHH-UHFFFAOYSA-N
DG50170	C.I. Natural Red 20	5208	"SHIKALKIN; 54952-43-1; (+-)-Shikonin; Alkanet extract; C.I. Natural Red 20; Shikonine; ARNEBIN-4; (Rac)-Shikonin; 5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione; Anchusin; Anchusa acid; (+/-)-Alkannin; Alkanna Red; C.I. 75530; C.I. 75535;Isoarnebin 4; NSC94524; NSC252844; NSC407295; 23444-65-7; 1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)- (9CI); Alkanet extract, inspissated; (+)-Shikonin; 5,8-Dihydroxy-6-(1-hydroxy-4-methylpent-3-en-1-yl)naphthalene-1,4-dione; Alkanet extract (VAN); (+-)-Alkannin; (+/-)-Shikonin; C.I. Natural Red 20 (VAN); Gromwell; 1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (S)-; 1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (-)-; 1, 5,8-dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-, (-)-; natural red 20; Shikonin (7b); (+-)-Shikalkin; NSC 291845; ALKANNIN, 1-; KBioGR_000610; KBioSS_000610; CHEMBL29285; SCHEMBL3182028; Shikonin, >=98% (HPLC); SCHEMBL14305203; KBio2_000610; KBio2_003178; KBio2_005746; KBio3_001079; KBio3_001080; NEZONWMXZKDMKF-UHFFFAOYSA-; 5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione; CHEBI:174748; BDBM178090; Bio2_000475; Bio2_000955; HMS1362P11; BCP29329; BCP34282; HY-N6004; MFCD00016668; NSC-94524; NSC291845; 5,8-dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)naphthalene-1,4-dione; AKOS016034343; ( inverted exclamation markA)-Shikonin; MCULE-4829436851; NSC-252844; NSC-291845; NSC-407295; IDI1_002230; QTL1_000075; SMP2_000188; LS-14485; NCI60_002031; DB-082640; CS-0032051; FT-0651798; FT-0746742; FT-0774471; (-)-Shikonin;C.I. 75535; Isoarnebin 4; 3-(2,2-Dimethylpropionylamino)isonicotinicacid; 952S431; Q-100621; 1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-; 1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (R)-; 1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (+)-; 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone; (+/-)-5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone; 11019-15-1; 85921-41-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	252844	.	.	.	.	288.29	C16H16O5	94.8	501	3	21	3	5	3	"InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3"	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N
DG50171	Solasodine	5250	"solasodine; Spirosol-5-en-3-ol; Salasdine; Salasodine; Solanidine-S; 126-17-0; Purapuridine; Solancarpidine; Tomatidenol; Solasodin; Solasod-5-en-3.beta.-ol; SOLASODINE HYDROCHLORIDE BASE; NSC179187; NSC 178260; Spirosol-5-en-3-ol,22.alpha.,25R)-; Solasod-5-en-3 beta-ol; Solancarpine; Sosasodine; Solanidine S; NSC178260; NSC-179187; (-)-Solasodine; Spirosol-5-en-3-ol, (3.beta.,22.alpha.,25R)-; Solasod-5-en-3beta -ol; Oprea1_090106; CHEMBL1964743; SCHEMBL12838252; ACon1_001598; Solasod-5-en-3alpha ,25R)-; SPIROSOL-5-EN-3-BETA-OL; BCP10954; AKOS003275084; MCULE-5834076976; NSC-178260; NCGC00017170-02; DB-041812; (3; A,22; A,25R)-Spirosol-5-en-3-ol; Purapuridine; Solancarpidine; Solasodin; Salasdine; Spirosol-5-en-3-ol, (3beta ,22alpha ,25R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	178260	.	.	.	.	413.6	C27H43NO2	41.5	749	5.4	30	2	3	0	"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3"	CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)NC1	KWVISVAMQJWJSZ-UHFFFAOYSA-N
DG50172	Spiperone	5265	"spiperone; Spiropitan; Spiroperidol; 749-02-0; Espiperona; Spiperonum; [3H]spiperone; [3H]-spiperone; R 5147; 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; E 525; UNII-4X6E73CJ0Q; NSC 170983; MLS000028615; Spiroperidol;R-5147; 8-(3-(p-Fluorobenzoyl)propyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one; 8-(3-p-Fluorobenzoyl-1-propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decane; SMR000058674; 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-; 4X6E73CJ0Q; CHEBI:9233; CHEMBL267930; Butyrophenone, 4'-fluoro-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decan-8-yl)-; NSC170983; NSC-170983; NCGC00015964-09; CAS-749-02-0; 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorobenzoyl)propyl)-1-phenyl-; 8-[3-(p-Fluorobenzoyl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; R-5147; 8-(4-(4-Fluorophenyl)-4-oxobutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; DSSTox_CID_25205; DSSTox_RID_80749; DSSTox_GSID_45205; Spiroperidone; Spiperonum [INN-Latin]; Espiperona [INN-Spanish]; 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[3-(p-fluorobenzoyl)propyl]-1-phenyl-; 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-; Spiperone [USAN:INN:BAN:JAN]; EINECS 212-024-0; BRN 0632204; SR-01000000261; Spiperone, solid; Spiropitan (TN); Prestwick_624; [3H]-Spiroperidol; Spectrum_001143; Tocris-0995; Spiperone (JAN/USAN); regid855701; Opera_ID_1551; Prestwick0_000288; Prestwick1_000288; Prestwick2_000288; Prestwick3_000288; Spectrum2_001426; Spectrum3_001460; Spectrum4_000451; Spectrum5_000987; Lopac-S-7395; GTPL99; 4-Phenyl-8-[3-(4-fluorobenzoyl)propyl]-1-oxo-2,4,8-triazaspiro[4,5]decane; cid_5265; Lopac0_001069; REGID_for_CID_5265; BSPBio_000196; BSPBio_002959; KBioGR_000862; KBioSS_001623; MLS001076321; DivK1c_000566; SCHEMBL116031; SPECTRUM1501152; SPBio_001532; SPBio_002415; BPBio1_000216; GTPL3300; DTXSID5045205; BDBM21397; HMS501M08; KBio1_000566; KBio2_001623; KBio2_004191; KBio2_006759; KBio3_002459; TQP0726; NINDS_000566; HMS1568J18; HMS1921L09; HMS2089E16; HMS2092H17; HMS2095J18; HMS2235E11; HMS3371L01; HMS3712J18; Pharmakon1600-01501152; ZINC643233; Tox21_110269; CCG-38975; MFCD00055099; NSC757864; AKOS024282958; Tox21_110269_1; MCULE-7534168791; NSC-757864; SDCCGSBI-0051039.P004; IDI1_000566; NCGC00015964-01; NCGC00015964-02; NCGC00015964-03; NCGC00015964-04; NCGC00015964-05; NCGC00015964-06; NCGC00015964-07; NCGC00015964-08; NCGC00015964-10; NCGC00015964-11; NCGC00015964-12; NCGC00015964-13; NCGC00015964-17; NCGC00015964-25; NCGC00016536-01; NCGC00022260-02; NCGC00022260-04; NCGC00022260-05; NCGC00022260-06; NCGC00022260-07; SBI-0051039.P003; AB00052224; FT-0674639; D01051; AB00052224-15; AB00052224_16; L000569; Q3077150; SR-01000000261-5; SR-01000000261-8; BRD-K55468218-001-05-5; BRD-K55468218-003-01-0; WLN: T6N DXTJ A3VR DF& D-& CT5MVXN EHJ DR; 8-[3-(p-Fluorobenzoyl)propyl]-1-phenyl-1,8-triazaspiro[4.5]decan-4-one; 1,8-Triazaspiro[4.5]decan-4-one, 8-[3-(p-fluorobenzoyl)propyl]-1-phenyl-; 1,8-Triazaspiro[4.5]decan-4-one, 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-; 8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; 8-[4-(4-fluorophenyl)-4-oxo-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; 8-[4-(4-fluorophenyl)-4-oxo-butyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one; 1-(4-Fluorophenyl)-4-(4-hydroxy-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-8-yl)-1-butanone #; SIP"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	170983	.	.	.	.	395.5	C23H26FN3O2	52.6	577	3	29	1	5	6	"InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)"	C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F	DKGZKTPJOSAWFA-UHFFFAOYSA-N
DG50173	Streptonigrin	5298	"streptonigrin; Bruneomycin; Rufocromomycin; Nigrin; Streptonigran; 3930-19-6; Valacidin; Rufocromomycine; NSC-45383; Rufocromomicina; Rufocromomycinum; Abbott Crystalline antibiotic; NSC 45383; NSC45383; Streptonigrin [USAN]; Antibiotic from Streptomyces flocculus; Rufochromomycin; A 050165L302; Streptonigrin (racemate); AO50165L302; NSC83950; CHEBI:9287; MLS000028827; 2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-; UNII-261Q3JB310; 5278 R. P.; NSC-83950; 5-Amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpicolinic acid; SMR000058748; MLS000766205; MLS000766219; Picolinic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-; 3930-19-6 (R-isomer); 1079893-79-0 (racemate); NSC-56748; 261Q3JB310; Rufocromomycin (INN); Rufocromomycin [INN]; Streptonigrin (USAN); 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid; SN (VAN); 1079893-79-0; Rufocromomycine [INN-French]; Rufocromomycinum [INN-Latin]; Rufocromomicina [INN-Spanish]; CCRIS 1264; SR-01000721857; EINECS 223-501-8; NSC 83950; BRN 0599390; AI3-52152; WLN: T66 BV EV GNJ CO1 DZ H- BT6NJ CZ DR BQ CO1 DO1& E1 FVQ; (R)-Streptonigrin; 2-Pyridinecarboxylic acid,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-; 5-Amino-6-(7-amino-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpicolinic acid; 5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid; Picolinic acid,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-; Picolinic acid,8-dihydro-7-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-; Nigrin (TN); Streptonigrin from Streptomyces flocculus; Opera_ID_823; 5278 R.P.; NCIMech_000191; SCHEMBL3940; 5-25-17-00308 (Beilstein Handbook Reference); MLS004556149; CHEMBL11417; GTPL8683; SCHEMBL1650605; SCHEMBL17111078; BDBM34650; cid_5323583; DTXSID00960034; HMS2230J24; NSC56748; BDBM50447758; CCG-35398; CCG-36481; MFCD00063401; ZINC100016202; SMP2_000320; NCGC00247058-01; (4E)-5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylic acid; (4Z)-5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylic acid; NCI60_004051; NCI60_041843; SMR003365494; HY-124586; CS-0087029; C02081; D05931; Streptonigrin from Streptomyces flocculus, >=98%; SR-01000721857-3; SR-01000721857-5; Q15427845; (4E)-5-amino-6-(7-amino-5,8-diketo-6-methoxy-2-quinolyl)-4-(6-keto-4,5-dimethoxy-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylic acid; (4E)-5-amino-6-(7-amino-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(4,5-dimethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-3-methyl-1H-pyridine-2-carboxylic acid; (4E)-5-Amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(4,5-dimethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-3-methyl-1H-pyridine-2-carboxylic acid; (4E)-5-azanyl-6-[7-azanyl-6-methoxy-5,8-bis(oxidanylidene)quinolin-2-yl]-4-(4,5-dimethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylic acid; (aR)-3-Methyl-4-(2-hydroxy-3,4-dimethoxyphenyl)-5-amino-6-(5,8-dioxo-6-methoxy-7-amino-5,8-dihydroquinoline-2-yl)pyridine-2-carboxylic acid; (aS)-3-Methyl-4-(2-hydroxy-3,4-dimethoxyphenyl)-5-amino-6-(5,8-dioxo-6-methoxy-7-amino-5,8-dihydroquinoline-2-yl)pyridine-2-carboxylic acid; 2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, (4R)-; 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxy-phenyl)-3-methyl-pyridine-2-carboxylic acid; 5-Amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydro-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-2-pyridinecarboxylic acid #; 5-Amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpicolinic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83950	.	.	.	.	506.5	C25H22N4O8	197	944	1.8	37	4	12	6	"InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)"	CC1=C(C(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O	PVYJZLYGTZKPJE-UHFFFAOYSA-N
DG50174	Streptozoticin	5299	NSC37917; Streptozoticin; NSC85998; U 9889; U-9889; 2-Deoxy-2-(3-methyl-3-nitrosoureido)-.alpha.(and.beta.)-D-glucopyranose; AKOS024370866; MCULE-9818583717; STREPTOZOTOCIN (ZELALAN MIXTURE); NCI60_041900	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85998	.	.	.	.	265.22	C8H15N3O7	160	300	-3.2	18	5	8	6	"InChI=1S/C8H15N3O7/c1-11(10-18)8(17)9-4(2-12)6(15)7(16)5(14)3-13/h2,4-7,13-16H,3H2,1H3,(H,9,17)"	CN(C(=O)NC(C=O)C(C(C(CO)O)O)O)N=O	AGRCPNMCOXLKFO-UHFFFAOYSA-N
DG50175	"4,6-Dioxoheptanoic acid"	5312	"4,6-DIOXOHEPTANOIC ACID; Succinylacetone; 51568-18-4; Heptanoic acid, 4,6-dioxo-; succinyl acetone; NSC 174804; UNII-KZ0KV2Q190; CHEMBL222824; KZ0KV2Q190; CHEBI:87897; MFCD00002797; 4.6-dioxoheptanoic acid; 4,6-Dioxoheptanoate; CCRIS 1387; Spectrum_001999; SpecPlus_000704; Heptanoic acid,6-dioxo-; Spectrum2_000467; Spectrum3_000763; Spectrum4_001249; Spectrum4_001266; BSPBio_002406; KBioGR_001778; KBioGR_001852; KBioSS_002574; YSWG260; DivK1c_006800; SCHEMBL503918; SPBio_000574; KBio1_001744; KBio2_002565; KBio2_005133; KBio2_007701; KBio3_001626; 4,6-Dioxoheptanoic acid, powder; DTXSID50199519; AMY13893; BCA56818; BCP17098; 7197AB; BDBM50197063; CCG-39960; NSC174804; AKOS006282601; ZINC100036983; CS-W010900; HY-W010184; NSC-174804; 2-Benzyl-1,3-thiazole-4-carboxylicacid; NCGC00178670-01; AS-57899; DA-05297; NCI60_001428; FT-0674727; FT-0674728; H10298; 568D184; Q25324500"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174804	.	.	.	.	158.15	C7H10O4	71.4	183	-0.8	11	1	4	5	"InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)"	CC(=O)CC(=O)CCC(=O)O	WYEPBHZLDUPIOD-UHFFFAOYSA-N
DG50176	Sulfaquinoxaline	5338	"sulfaquinoxaline; 59-40-5; Sulfabenzpyrazine; Sulphaquinoxaline; Avicocid; Sulfaline; Sulquin; Italquina; Kokozigal; Ursokoxaline; Sulfacox; 2-Sulfanilamidoquinoxaline; 2-Sulfanilamidobenzopyrazine; Sulfa-Q 20; Sulfaquinoxalin; 4-Amino-N-(quinoxalin-2-yl)benzenesulfonamide; Sulfaquinoxalina; 2-(p-Sulfanilamido)quinoxaline; Sulfaquinoxalinum; Compound 3-120; Anti-K; Benzenesulfonamide, 4-amino-N-2-quinoxalinyl-; Sulfachinoxalin; N-(2-Quinoxalinyl)sulfanilamide; N1-(2-Quinoxalinyl)sulfanilamide; N'-2-Quinoxalylsulfanilamide; 2-p-Aminobenzenesulfonamidoquinoxaline; SQ 40; N-(2-Quinoxalinyl)sulfanilide; 2-p-Aminobenzenesulphonamidoquinoxaline; 4-amino-N-quinoxalin-2-ylbenzenesulfonamide; NSC41805; UNII-WNW8115TM9; N(sup 1)-(2-Quinoxalinyl)sulfanilamide; SQX; AI3-17254; 4-amino-N-(2-quinoxalinyl)benzenesulfonamide; NSC-41805; N(sup 1)-2-Quinoxalinylsulfanilamide; Sulquin 6-50 Concentrate (Veterinary); Sulfaquinoxaline (USP/INN); MLS000737045; 4-AMINO-N-(QUINOXALIN-2-YL)BENZENE-1-SULFONAMIDE; WNW8115TM9; N'-(2-Quinoxalyl)sulfanilamide; N1-2-Quinoxalinyl, sulfanilamide; N(sup1)-Quinoxalin-2-ylsulfanilamide; N(sup1)-(2-Quinoxalinyl)sulfanilamide; 2-(p-Aminobenzene)sulfonamidoquinoxaline; Sulfanilamide, N1-2-quinoxalinyl- (8CI); DSSTox_CID_22424; DSSTox_RID_80021; DSSTox_GSID_42424; 4-amino-N-quinoxalin-2-yl-benzenesulfonamide; Caswell No. 721; Aviochina; Sulfaquinoxaline (4-amino- N-2-quinoxalinylbenzenesulfonamide); Sulfaquinoxaline, analytical standard; 4-Amino-N-2-quinoxalinylbenzenesulfonamide; Sul-q-nox; CAS-59-40-5; NSC 41805; SMR000394001; Sulfaquinoxalinum [INN-Latin]; Sulfaquinoxalina [INN-Spanish]; HSDB 7440; Sulfaquinoxaline [USAN:INN:BAN]; EINECS 200-423-2; EPA Pesticide Chemical Code 077901; BRN 0290026; Embazin; Nococcin; Quinoxipra C; Kokozigal S; Sulfa-Q; Sulfaquinoxaline [USP:INN:BAN]; Sulfanilamide, N1-2-quinoxalinyl-; Spectrum_001410; Sulfaquinoxaline-13C6; Sulfanilamide, N(sup 1)-2-quinoxalinyl-; 4-Amino-n-2-quinoxalinyl-benzenesulfonamide; Prestwick0_000731; Prestwick1_000731; Prestwick2_000731; Prestwick3_000731; Spectrum2_000986; Spectrum3_001455; Spectrum4_000423; Spectrum5_000983; S. Q. 40 Per cent; NCIStruc1_000587; NCIStruc2_000454; Oprea1_705564; SCHEMBL93789; Sulfaquinoxaline, BAN, INN; BSPBio_000682; BSPBio_002949; KBioGR_000746; KBioSS_001890; 5-25-11-00125 (Beilstein Handbook Reference); MLS001176103; S. Q. '40 per cent'; S. Q. '40 per cent'; BIDD:GT0642; DivK1c_000035; SPBio_001051; SPBio_002621; BPBio1_000752; ZINC2106; CHEMBL1437847; DTXSID8042424; N1-2-quinoxalinyl-Sulfanilamide; SCHEMBL21295162; CHEBI:94719; KBio1_000035; KBio2_001890; KBio2_004458; KBio2_007026; KBio3_002449; NINDS_000035; HMS2744N03; ALBB-033368; HY-B1282; NCI41805; STR08438; WLN: T66 BN ENJ CMSWR DZ; Tox21_110027; Tox21_300894; CCG-38184; MFCD00055406; NCGC00013489; N(Sup1)-2-quinoxalinyl-Sulfanilamide; AKOS001053134; AKOS024418782; Tox21_110027_1; DB11464; MCULE-3339443865; N(Sup 1)-2-quinoxalinyl-Sulfanilamide; IDI1_000035; SMP2_000015; NCGC00013489-01; NCGC00013489-02; NCGC00013489-03; NCGC00096603-01; NCGC00178376-05; NCGC00254798-01; Sulfanilamide, N(sup1)-2-quinoxalinyl-; AC-18848; H465; NCI60_003947; DB-053379; CS-0013058; FT-0631264; EN300-24981; D05952; H11037; 4-Amino-N-2-quinoxalinylbenzenesulfonamide, 9CI; 055S406; A928697; SR-01000768431; Q1019320; SR-01000768431-3; Sulfaquinoxaline, PESTANAL(R), analytical standard; W-105325; BRD-K71133585-236-05-2; BRD-K71133585-236-08-6; Z56922081; Sulfaquinoxaline, United States Pharmacopeia (USP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	41805	.	.	.	.	300.34	C14H12N4O2S	106	442	1.7	21	2	6	3	"InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)"	C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N	NHZLNPMOSADWGC-UHFFFAOYSA-N
DG50177	Suloctidil	5354	"suloctidil; 54063-56-8; Sulodene; Bemperil; Cerebro; Circleton; Euvasal; Hemoantin; Octamet; Polivasal; Suloctdil; Sulocton; Sudil; 1-(4-Isopropylthiophenyl)-2-n-octylaminopropanol; CP-556S; NCGC00018301-02; DSSTox_CID_25638; DSSTox_RID_81019; DSSTox_GSID_45638; Suloctidil [USAN:INN:BAN]; 2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol; fluversin; loctidon; 4-((1-Methylethyl)thio)-alpha-(1-(octylamino)ethyl)benzenemethanol; MJF 12637; CAS-54767-75-8; Benzenemethanol, 4-((1-methylethyl)thio)-alpha-(1-(octylamino)ethyl)-, (R*,S*)-; sulcotidil; Duloctil; Fluvisco; Iangene; Dulasi; Locton; 4-[(1-Methylethyl)thio]-alpha-[1-(octylamino)ethyl]benzenemethanol; erythro-p-(Isopropylthio)-alpha-(1-(octylamino)ethyl)benzyl alcohol; Prestwick_915; EINECS 258-957-7; Spectrum_001145; Prestwick0_000421; Prestwick1_000421; Prestwick2_000421; Spectrum2_001427; Spectrum3_000927; Spectrum4_001026; Spectrum5_001153; SCHEMBL23974; KBioGR_001551; KBioSS_001625; DivK1c_000364; SPECTRUM1501153; SPBio_001534; SPBio_002341; CHEMBL404849; CHEBI:91639; HMS501C06; KBio1_000364; KBio2_001625; KBio2_004193; KBio2_006761; KBio3_001934; NINDS_000364; DTXSID701017974; HMS1569E04; HMS1921L11; HMS2092H19; Pharmakon1600-01501153; BCP24317; Tox21_110858; CCG-38964; MJF-12637; NSC757852; Benzenemethanol, 4-((1-methylethyl)thio)-alpha-(1-(octylamino)ethyl)-; Benzenemethanol, 4-[(1-methylethyl)thio]-.alpha.-[1-(octylamino)ethyl]-; Tox21_110858_1; MCULE-7875232844; NSC 757852; NSC-757852; IDI1_000364; NCGC00018301-03; NCGC00018301-05; NCGC00094914-01; NCGC00094914-02; SBI-0051663.P002; AB00052225_03; SR-05000001775; Q7636084; SR-05000001775-1; BRD-A34205397-001-01-1; BRD-A34205397-001-03-7; 1-(4-isopropylsulfanylphenyl)-2-(octylamino)propan-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757852	.	.	.	.	337.6	C20H35NOS	57.6	277	5.8	23	2	3	12	"InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3"	CCCCCCCCNC(C)C(C1=CC=C(C=C1)SC(C)C)O	BFCDFTHTSVTWOG-UHFFFAOYSA-N
DG50178	Triaconazole	5404	"Triaconazole; MLS002701820; CHEBI:82979; Terconazole Impurity A; 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine; NSC331942; NSC-331942; SCHEMBL5008913; CHEMBL1714574; SCHEMBL18258318; Piperazine, 1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(1-methylethyl)-, rel-; SMR001565413; Q27156516; (+-)-1-{4-[cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethoxy]phenyl}-4-isopropylpiperazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	331942	.	.	.	.	532.5	C26H31Cl2N5O3	64.9	693	4.8	36	0	7	8	"InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3"	CC(C)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl	BLSQLHNBWJLIBQ-UHFFFAOYSA-N
DG50179	Thiabendazole	5430	"thiabendazole; 148-79-8; Tiabendazole; Mintezol; 2-(4-Thiazolyl)benzimidazole; Equizole; Omnizole; Thiabendazol; Thiabenzole; Tiabendazol; Mintesol; Minzolum; Thibenzole; Bovizole; Lombristop; Thibenzol; Nemapan; Thiaben; Testo; Bioguard; Eprofil; Mertect; Mycozol; Polival; Tebuzate; Tiabenda; Triasox; Mertec; Tobaz; Tbdz; Thibenzole att; APL-luster; Top Form Wormer; Cropasal; Pitrizet; Sistesan; Thibendole; Ormogal; Storite; Thibenzole 200; Tecto rph; 1H-Benzimidazole, 2-(4-thiazolyl)-; Hokustar HP; 2-(1,3-Thiazol-4-yl)-1H-benzimidazole; 4-(1H-Benzo[d]imidazol-2-yl)thiazole; Mertect 160; Tecto 10P; Tecto 40F; Tecto 60; Sanaizol 100; 2-(4-Thiazolyl)-1H-benzimidazole; Chemviron TK 100; Thiabendazolum; Thiabendole; Tiabendazolum; Biogard; Drawipas; Mintezole; Tecto; Mertect lsp; E-Z-Ex; Equizole A; TBZ 60W; 4-(2-Benzimidazolyl)thiazole; Captan T; Metasol TK 100; Helmindrax octelmin; Thiabenzazole; Arbotect; Thiprazole; Tresaderm; Tubazole; 2-Thiazole-4-ylbenzimidazole; Hymush; Nemacin; Mertect 340f; 2-(Thiazol-4-yl)benzimidazole; Metasol TK-100; Syntol M100; MK 360; Equivet TZ; Tecto B; Benzimidazole, 2-(4-thiazolyl)-; Tibimix 20; 2-(1,3-Thiazol-4-yl)benzimidazole; Thiabendazole [BSI:ISO]; TBZ 6; 2-(4'-Thiazolyl)benzimidazole; Mintezol (TN); 2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazole; Thiabendazole (USP); MK-360; Tiabendazole (JAN/INN); 4-(1H-benzimidazol-2-yl)-1,3-thiazole; 4-(1H-benzimidazol-2-yl)thiazole; 1yvm; G 491; UNII-N1Q45E87DT; 5-(4-Thiazolyl)benzimidazole; 2-(4-Thiazoly)-benzimidazole; RPH; CHEMBL625; MLS000053094; N1Q45E87DT; CHEBI:45979; NSC90507; MFCD00005587; NSC-90507; NSC525040; 2-(4-THIAZOLYL)-BENZIMIDAZOLE; NSC-525040; NCGC00016410-06; NCGC00016410-13; CAS-148-79-8; E233; SMR000058170; 2-(1,3-thiazol-4-yl)-1H-benzoimidazole; RTU Flowable Fungicide; DSSTox_CID_1337; 4-(1H-1,3-benzodiazol-2-yl)-1,3-thiazole; DSSTox_RID_76091; DSSTox_GSID_21337; Metasol tk 10; Tiabendazolum [INN-Latin]; Thiabendazole [USAN:BAN]; TBZ-6; 2-[4-Thiazoly]benzimidazole; Caswell No. 849A; Tiabendazol [INN-Spanish, French]; WLN: T56 BM DNJ C-ET5N CSJ; Metasol TK 25; CCRIS 4510; HSDB 2027; 2-Thiazol-4-yl-1H-benzoimidazole; SR-01000000188; EINECS 205-725-8; NSC 90507; EPA Pesticide Chemical Code 060101; NSC 525040; Thiabendazole [USAN:USP]; BRN 0611403; AI3-50598; Tiabendazole, INN; 2-(4-thiazolyl)-1h-benzoimidazole; Thiabendazole(usan); Prestwick_813; Tiabendazole [INN]; Thiabendazole, 98%; Spectrum_000039; CPD000058170; Opera_ID_336; Prestwick0_000524; Prestwick1_000524; Prestwick2_000524; Prestwick3_000524; Spectrum2_001331; Spectrum3_001407; Spectrum4_000354; Spectrum5_001009; NCIOpen2_005709; SCHEMBL19842; BSPBio_000507; BSPBio_003054; KBioGR_000787; KBioSS_000399; 2(4-thiazolyl)-benzimidazole; MLS000069718; BIDD:ER0372; DivK1c_000072; SPECTRUM1500570; SPBio_001481; SPBio_002428; BPBio1_000559; GTPL7304; 2-(thiazole-4-yl)benzimidazole; DTXSID0021337; Thiabendazole, >=99%, powder; HMS500D14; KBio1_000072; KBio2_000399; KBio2_002967; KBio2_005535; KBio3_002274; ZINC73711; NINDS_000072; HMS1569J09; HMS1921E05; HMS2092M07; HMS2096J09; HMS2230F20; HMS3259E20; HMS3372E11; HMS3655E08; HMS3713J09; Pharmakon1600-01500570; ALBB-023635; AMY22461; BCP19179; HY-B0263; Tox21_110427; Tox21_202397; Tox21_300970; BDBM50121347; CCG-39633; NSC757347; s1739; STK394289; AKOS000120940; Tox21_110427_1; DB00730; MCULE-3720823189; NC00593; NSC-757347; SDCCGMLS-0002984.P003; IDI1_000072; NCGC00016410-01; NCGC00016410-02; NCGC00016410-03; NCGC00016410-04; NCGC00016410-05; NCGC00016410-07; NCGC00016410-08; NCGC00016410-09; NCGC00016410-10; NCGC00016410-11; NCGC00016410-12; NCGC00016410-14; NCGC00016410-15; NCGC00016410-18; NCGC00016410-21; NCGC00021671-04; NCGC00021671-05; NCGC00021671-06; NCGC00021671-07; NCGC00021671-08; NCGC00021671-09; NCGC00021671-10; NCGC00254873-01; NCGC00259946-01; Thiabendazole 100 microg/mL in Methanol; 2-[35S]thiazol-4-yl-1H-benzoimidazole; AC-10139; LS-07459; NCI60_004280; NCI60_042006; MLS-0002984.P004; SBI-0051531.P003; 2-(1,3-thiazole-4-yl)-1H-benzimidazole; DB-042952; Thiabendazole 10 microg/mL in Acetonitrile; AB00052107; FT-0608694; SW196947-3; T0830; 2-(1,3-Thiazol-4-yl)-1H-benzimidazole #; Thiabendazole, BAN, BSI, ISO, JMAF, USAN; 48T798; C07131; D00372; E70385; AB00052107_17; AB00052107_18; Thiabendazole, PESTANAL(R), analytical standard; A808809; Q424986; SR-01000000188-2; SR-01000000188-4; SR-01000000188-5; W-108097; BRD-K77695569-001-05-2; BRD-K77695569-001-16-9; BRD-K77695569-001-28-4; Thiabendazole, certified reference material, TraceCERT(R); Thiabendazole, BioReagent, plant cell culture tested, powder; Tiabendazole, European Pharmacopoeia (EP) Reference Standard; Thiabendazole, United States Pharmacopeia (USP) Reference Standard; Thiabendazole, Pharmaceutical Secondary Standard; Certified Reference Material; 93030-56-9; 98002-42-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	525040	.	.	.	.	201.25	C10H7N3S	69.8	212	2.5	14	1	3	1	"InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)"	C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3	WJCNZQLZVWNLKY-UHFFFAOYSA-N
DG50180	Thiotepa	5453	"thiotepa; THIO-TEPA; 52-24-4; Triethylenethiophosphoramide; Thiophosphamide; Thioplex; Tiofosfamid; Tiofosyl; Thiofozil; Tespamin; Girostan; Oncotepa; Tespamine; Tiofozil; Stepa; Oncotiotepa; Thiotef; Tifosyl; Tri(aziridin-1-yl)phosphine sulfide; Oncothio-tepa; TESPA; Tio-tef; Thio-Tep; TSPA; Thio-tepa S; Ledertepa; Thiotriethylenephosphoramide; TIO TEF; Tris(1-aziridinyl)phosphine sulfide; 1,1',1''-phosphorothioyltriaziridine; N,N',N''-Triethylenethiophosphoramide; Triethylene thiophosphoramide; Triaziridinylphosphine sulfide; NSC-6396; Triethylenethiophosphorotriamide; Tris(ethylenimino)thiophosphate; CBC 806495; Phosphorothioic acid triethylenetriamide; Phosphine sulfide, tris(1-aziridinyl)-; Tri(ethyleneimino)thiophosphoramide; Aziridine, 1,1',1''-phosphinothioylidynetris-; NCI-C01649; NSC 6396; SK 6882; Tris(aziridinyl)phosphine sulfide; Tri-1-aziridinylphosphine sulfide; Tris(1-aziridinyl)phosphine sulphide; N,N',N''-Triethylenethiophosphamide; UNII-905Z5W3GKH; N,N',N''-Triethylenethiophosphortriamide; NSC6396; 1,1',1''-Phosphinothioylidynetrisaziridine; N,N',N''-Triethylenephosphorothioic triamide; N,N',N''-Tri-1,2-ethanediylthiophosphoramide; Thiophosphoramide, N,N',N''-tri-1,2-ethanediyl-; N,N',N''-Tri-1,2-ethanediylphosphorothioic triamide; MLS001333083; MLS003389372; 905Z5W3GKH; CHEBI:9570; Phosphorothioic triamide, N,N',N''-tri-1,2-ethanediyl-; AI 3-24916; Phosphorothioic triamide, N,N',N''-triethylene-; MFCD00145452; tepadina; NCGC00095042-04; NCGC00095042-06; Thiophosphamidum; DSSTox_CID_1339; DSSTox_RID_76093; DSSTox_GSID_21339; AZIRIDINE,1,1',1''-PHOSPHINOTHIOYLIDYNETRIS-; C6H12N3PS; Thiotepum; Tiotepa; Thiotepum [INN-Latin]; Tiotepa [INN-Spanish]; CAS-52-24-4; Phosphoric tri(ethyleneamide); SMR000058542; CCRIS 586; HSDB 3258; AI3-24916; SR-05000001855; EINECS 200-135-7; BRN 0145978; WR-45312; Thiotepa [USP:INN:BAN:JAN]; Tepadina (TN); Thioplex (TN); Rethio (TN); Thiotepa (Thioplex); Spectrum_001689; WR 45312; Thiophosphoramide, N,N',N''-triethylene-; Spectrum2_001557; Spectrum3_001594; Spectrum4_000208; Spectrum5_001641; tris(aziridin-1-yl)-thioxo-$l^{5}-phosphane; CHEMBL671; Thioplex (TN) (Immunex); Tris(aziridinyl)-phosphine sulfide (thio-tepa); SCHEMBL4760; Thiotepa (JAN/USP/INN); Thio-TEPA, 98%, solid; BSPBio_003188; KBioGR_000815; KBioSS_002169; 4-20-00-00052 (Beilstein Handbook Reference); MLS001333084; MLS002207150; MLS006009972; BIDD:GT0127; DivK1c_000817; SPECTRUM1503324; SPBio_001434; tris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane; GTPL7622; DTXSID0021339; HMS502I19; KBio1_000817; KBio2_002169; KBio2_004737; KBio2_007305; KBio3_002688; N,N''-Triethylenethiophosphamide; AOB5373; NINDS_000817; HMS1922A14; HMS2093E05; HMS2232P17; HMS3372D10; N,N''-Triethylenethiophosphoramide; Pharmakon1600-01503324; Tri(1-aziridinyl)phosphine sulfide; ALBB-034802; AMY33389; BCP04110; ZINC1530867; Tox21_111399; Tox21_400065; BDBM50418086; CCG-39776; NSC758455; s1775; AKOS005267118; CS-3119; DB04572; GC10080; MCULE-5478761622; NSC-758455; 1,1''-Phosphinothioylidynetrisaziridine; IDI1_000817; Thiophosphoramide,N',N'' -triethylene-; N,N',N'''-Triethylenethiophosphhoramide; NCGC00095042-01; NCGC00095042-02; NCGC00095042-03; NCGC00095042-05; NCGC00095042-07; NCGC00095042-08; NCGC00095042-09; AS-16885; HY-17574; N,N''-Triethylenephosphorothioic triamide; NCI60_013117; SBI-0051814.P002; Aziridine,1',1''-phosphinothioylidynetris-; N,N''-Tri-1,2-ethanediylthiophosphoramide; Phosphorothioic triamide,N',N''-triethylene; Thiophosphoramide, N,N',N'' -triethylene-; tris(aziridin-1-yl)-lambda5-phosphanethione; FT-0600281; tris(aziridin-1-yl)-$l^{5}-phosphanethione; tris(aziridin-1-yl)-sulfanylidenephosphorane; WLN: T3NTJ APS&- AT3NTJ&- AT3NTJ; Y0223; 1-[Di(1-aziridinyl)phosphorothioyl]aziridine #; C07641; D00583; Phosphorothioic triamide, N,N',N''-triethylene; Thiophosphoramide,N',N''-tri-1,2-ethanediyl-; AB00052346-06; AB00052346_07; 145T452; A828998; N,N''-Tri-1,2-ethanediylphosphorothioic triamide; Q416507; Q-201826; SR-05000001855-1; SR-05000001855-5; BRD-K09631521-001-05-7; Phosphorothioic triamide,N',N''-tri-1,2-ethanediyl-; Z2574360269; Thiotepa, United States Pharmacopeia (USP) Reference Standard; 1631739-26-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6396	.	.	.	.	189.22	C6H12N3PS	41.1	194	0.5	11	0	4	3	"InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2"	C1CN1P(=S)(N2CC2)N3CC3	FOCVUCIESVLUNU-UHFFFAOYSA-N
DG50181	Thiram	5455	"thiram; Tetramethylthiuram disulfide; 137-26-8; Thiuram; TMTD; Pomarsol; Rezifilm; Thirame; Arasan; Fernasan; Nobecutan; Thioscabin; Thirasan; Aapirol; Tersan; Tetrathiuram disulfide; Tetramethylthiuram; Falitiram; Formalsol; Hexathir; Kregasan; Mercuram; Normersan; Sadoplon; Spotrete; Tetrasipton; Thillate; Thiramad; Aatiram; Atiram; Fermide; Fernide; Hermal; Pomasol; Puralin; Thiosan; Thiotox; Thiulin; Thiulix; Heryl; Pomarsol forte; Methyl tuads; Polyram ultra; Accelerator T; Methyl Thiram; Fernasan A; Nocceler TT; Arasan-M; Bis(dimethylthiocarbamoyl) disulfide; Thiram B; Arasan-SF; Cyuram DS; Ekagom TB; Hermat TMT; Tetramethylenethiuram disulfide; Accel TMT; Accelerator thiuram; Aceto TETD; Radothiram; Royal TMTD; Tetramethyl-thiram disulfid; Fernacol; Sadoplon 75; Tetramethylthiuram bisulfide; Tetrapom; Thioknock; Thirampa; Thiramum; Anles; Arasan-SF-X; Aules; Thimer; Panoram 75; Tetramethylthiouram disulfide; Tetramethylthiuram disulphide; Tetramethylthiurane disulfide; Arasan 70; Arasan 75; Tersan 75; Thiram 75; Thiram 80; Spotrete-F; TMTDS; Arasan 70-S Red; Tetramethylthioperoxydicarbonic diamide; Methylthiuram disulfide; N,N-Tetramethylthiuram disulfide; Metiurac; Micropearls; Nomersan; Thianosan; Cunitex; Delsan; Thimar; Teramethylthiuram disulfide; Tersantetramethyldiurane sulfide; Pol-Thiuram; Arasan 42-S; Tetramethylthiurum disulfide; Disulfure de tetramethylthiourame; Tetrathiuram disulphide; Sranan-sf-X; Bis(dimethylthiocarbamyl) disulfide; Hy-Vic; Chipco thiram 75; Bis(dimethyl-thiocarbamoyl)-disulfid; Orac TMTD; Tetramethylthioramdisulfide; Tetramethyldiurane sulphite; Thiotox (fungicide); Disulfide, bis(dimethylthiocarbamoyl); Bis((dimethylamino)carbonothioyl) disulfide; Fermide 850; Tetramethyl thiuramdisulfide; Tetramethylthiocarbamoyldisulphide; Thiuramyl; Thylate; Tulisan; Methyl thiuramdisulfide; SQ 1489; Tetramethyl thiurane disulfide; Bis(dimethyl thiocarbamoyl)disulfide; Thirame [INN-French]; Thiramum [INN-Latin]; Thiuram D; Disolfuro di tetrametiltiourame; Tetramethyl thiurane disulphide; Tetramethylenethiuram disulphide; N,N'-(Dithiodicarbonothioyl)bis(N-methylmethanamine); RCRA waste number U244; Flo Pro T Seed Protectant; Tetramethylthiuram bisulphide; Tetramethylthiuran disulphide; Tetramethylthiurum disulphide; Tetramethyl thiuram disulfide; alpha,alpha'-Dithiobis(dimethylthio)formamide; Thiotex; Thiurad; Tirampa; Tiuramyl; Trametan; Tridipam; Tripomol; Tyradin; Tuads; Tutan; Vulkacit mtic; N,N,N',N'-Tetramethylthiuram disulfide; N,N-Tetramethylthiuram disulphide; Vulkacit thiuram; Thioperoxydicarbonic diamide, tetramethyl-; Thiuram M; Vulkacit TH; Tetramethylthioramdisulfide [Dutch]; Vulcafor TMT; Vulcafor TMTD; Bis((dimethylamino)carbonothioyl) disulphide; FMC 2070; NSC-1771; Bis(dimethylthiocarbamoyl) disulphide; Tetramethyl-thiram disulfid [German]; UNII-0D771IS0FH; Formamide, 1,1'-dithiobis(N,N-dimethylthio-; dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate; Zaprawa Nasienna T; [Me2NC(S)S]2; Vancida tm-95; Disulfuro di tetrametiltiourame; Arasan 42S; TUEX; Disolfuro di tetrametiltiourame [Italian]; Disulfuro di tetrametiltiourame [Italian]; Disulfure de tetramethylthiourame [French]; NSC1771; Bis(dimethyl-thiocarbamoyl)-disulfid [German]; VUAgT-I-4; Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetramethyl-; [disulfanediylbis(carbonothioylnitrilo)]tetramethane; Thiuram M rubber accelerator; MLS000069752; MLS002702972; 0D771IS0FH; CHEBI:9495; Thiuram disulfide, tetramethyl-; DTXSID5021332; Thiuram-M; Thioperoxydicarbonic diamide (((H2N)C(S))2S2), tetramethyl-; NSC49512; CCG-35460; NSC-49512; NSC622696; TNTD; NSC-622696; NCGC00091563-01; SMR000059023; Thioperoxydicarbonic diamide ((H2N)C(S))2S2, tetramethyl-; [dithiobis(carbonothioylnitrilo)]tetramethane; DSSTox_CID_1332; DSSTox_RID_76087; .alpha.,.alpha.'-Dithiobis(dimethylthio)formamide; DSSTox_GSID_21332; Caswell No. 856; Granuflo; Thiuramin; C6H12N2S4; N,N',N'-Tetramethylthiuram disulfide; Thioperoxydicarbonic diamide (((H2N)C(S))2S2), N,N,N',N'-tetramethyl-; Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,N',N'-tetramethyl-; CAS-137-26-8; Formamide,1'-dithiobis(N,N-dimethylthio-; Bis[(dimethylamino)carbonothioyl] disulfide; Attack [Antifungal]; NSC59637; CCRIS 1282; HSDB 863; NSC-59637; ENT 987; WLN: 1N1 & YUS & SSYUS & N1 & 1; NSC 1771; EINECS 205-286-2; NSC 49512; NSC 59637; RCRA waste no. U244; EPA Pesticide Chemical Code 079801; NSC 622696; BRN 1725821; tiramo; Basultra; Betoxin; Tiradin; Accelerant T; AI3-00987; Arasan m; Vulkazam S; Vanguard GF; Vancide TM; Akrochem TMTD; Perkacit TMTD; Vulkacit DTMT; Robac TMT; Thiram (Tmtd); Rezifilm (TN); Arasan 50 red; Spotrete WP 75; MFCD00008325; Vancide TM-95; Naftocit thiuram 16; Spectrum_001687; Thiram (USAN/INN); Agrichem flowable thiram; Spectrum2_001554; Spectrum3_001592; Spectrum4_000860; Spectrum5_001653; bmse000928; EC 205-286-2; NCIMech_000272; cid_5455; NCIOpen2_007854; SCHEMBL21144; BSPBio_003184; KBioGR_001499; KBioSS_002167; 4-04-00-00242 (Beilstein Handbook Reference); BIDD:ER0359; DivK1c_000741; SPECTRUM1503322; SPBio_001428; CHEMBL120563; Thiram [USAN:INN:BSI:ISO]; BDBM43362; HMS502F03; KBio1_000741; KBio2_002167; KBio2_004735; KBio2_007303; KBio3_002684; KUAZQDVKQLNFPE-UHFFFAOYSA-; ENT-987; NINDS_000741; HMS1922A12; HMS2093E03; HMS2234B08; HMS3374C05; Pharmakon1600-01503322; Tetramethylthiuram disulfide, 97%; ZINC1532176; Tox21_111150; Tox21_201569; Tox21_301102; NSC758454; s2431; STL264104; (dimethylamino){[(dimethylamino)thioxomethyl]disulfanyl}methane-1-thione; AKOS000120200; bis (dimethyl thiocarbamoyl) disulfide; Bis(dimethylaminothiocarbonyl)disulfide; Tox21_111150_1; DB13245; KS-5354; MCULE-4171536161; NSC-758454; SQ-1489; IDI1_000741; QTL1_000082; NCGC00091563-02; NCGC00091563-03; NCGC00091563-04; NCGC00091563-05; NCGC00091563-06; NCGC00091563-07; NCGC00091563-08; NCGC00091563-09; NCGC00091563-10; NCGC00091563-12; NCGC00255002-01; NCGC00259118-01; NCI60_001477; NCI60_006736; SBI-0051813.P002; Thiram, PESTANAL(R), analytical standard; DB-042384; B0486; CS-0012858; FT-0631799; 37T268; D06114; D97716; AB00052345_10; Q416572; SR-01000736911; J-006992; J-524968; SR-01000736911-2; Thiram, certified reference material, TraceCERT(R); BRD-K29254801-001-06-3; F0001-0468; TETRAMETHYLTHIOPEROXYDICARBONIC ACID [(H2N)C(S)]2S2; N,N-Dimethyl[(dimethylcarbamothioyl)-disulfanyl]carbothioamide; N,N-dimethyl[(dimethylcarbamothioyl)disulfanyl]carbothioamide; 1-(dimethylthiocarbamoyldisulfanyl)-N,N-dimethyl-methanethioamide; N,N-dimethylcarbamodithioic acid (dimethylthiocarbamoylthio) ester; N(1),N(1),N(3),N(3)-tetramethyl-2-dithioperoxy-1,3-dithiodicarbonic diamide; N,N-dimethylcarbamodithioic acid [[dimethylamino(sulfanylidene)methyl]thio] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1771	.	.	.	.	240.4	C6H12N2S4	121	158	1.7	12	0	4	3	InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3	CN(C)C(=S)SSC(=S)N(C)C	KUAZQDVKQLNFPE-UHFFFAOYSA-N
DG50182	Triflupromazine	5568	"triflupromazine; Fluopromazine; Trifluopromazine; Vesprin; 146-54-3; Adazine; Psyquil; 2-(Trifluoromethyl)promazine; Triflupromazina; Triflupromazinum; Psyquil; Siquil; UNII-RO16TQF95Y; N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine; 2-Trifluoromethyl-10-(gamma-dimethylaminopropyl)phenothiazine; 10-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)phenothiazine; 10H-Phenothiazine-10-propanamine, N,N-dimethyl-2-(trifluoromethyl)-; Vesprin (TN); RO16TQF95Y; CHEBI:9711; Vetame; Trifluopromazine hydrochloride; N,N-dimethyl-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-amine; Fluopromazine monohydrochloride; Phenothiazine, 10-(3-(dimethylamino)propyl)-2-(trifluoromethyl)-; Triflupromazinum [INN-Latin]; Triflupromazina [INN-Spanish]; dimethyl({3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl})amine; NSC14959; NSC17473; HSDB 3407; EINECS 205-673-6; CAS-1098-60-8; Triflupromazine (USP/INN); Triflupromazin; 10-[3-(Dimethylamino)propyl]-2-(trifluoromethyl)phenothiazine; Phenothiazine, 10-[3-(dimethylamino)propyl]-2-(trifluoromethyl)-; SR-01000000224-4; Triflupromazine [USP:INN:BAN]; N,N-Dimethyl-2-(trifluoromethyl)-10H-phenothiazine-10-propanamine; Spectrum_000095; 10-3-(Dimethylamino)propyl-2-(trifluoromethyl)phenothiazine; Prestwick0_000053; Prestwick1_000053; Prestwick2_000053; Prestwick3_000053; Spectrum4_000741; Spectrum5_001282; Lopac-T-2896; CHEMBL570; Lopac0_001146; SCHEMBL44085; BSPBio_000205; BSPBio_003444; KBioGR_001062; KBioSS_000515; cid_66069; DivK1c_000808; SPBio_002126; BPBio1_000227; GTPL4330; DTXSID9023704; BDBM67544; KBio1_000808; KBio2_000515; KBio2_003083; KBio2_005651; NINDS_000808; ZINC538507; PDSP1_001344; PDSP2_001328; N,N-dimethyl-3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)-1-propanamine; CCG-205220; DB00508; MCULE-9151902507; SDCCGSBI-0051113.P004; IDI1_000808; N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine hydrochloride; NCGC00016012-01; NCGC00016012-02; NCGC00016012-03; NCGC00016012-04; NCGC00016012-05; NCGC00016012-06; NCGC00016012-07; NCGC00016012-08; NCGC00016012-09; NCGC00016012-16; NCGC00024300-04; LS-14640; NCI60_001029; NCI60_001426; SBI-0051113.P003; AB00053647; D00390; AB00053647_16; AB00053647_17; 146T543; L001149; Q510494; BRD-K63675182-003-14-5; dimethyl-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]amine;hydrochloride; N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazinyl]-1-propanamine;hydrochloride; N,N-Dimethyl-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]-1-propanamine #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17473	.	.	.	.	352.4	C18H19F3N2S	31.8	416	5.2	24	0	6	4	"InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3"	CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F	XSCGXQMFQXDFCW-UHFFFAOYSA-N
DG50183	Triton X-100	5590	"Triton X-100; 2315-67-5; 9002-93-1; Octoxinol; Octoxynol-1; Octoxynol-3; Triton X; 4-tert-Octylphenol Monoethoxylate; 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol; Ethanol, 2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-; Octoxynol 1; UNII-20CAX7IO75; Poly(oxyethylene)-p-tert-octylphenyl ether; Polyethylene glycol mono(p-tert-octylphenyl) ether; 20CAX7IO75; Polyoxyethylene mono(octylphenyl) ether; Triton,(-); NCGC00091012-01; 4-tert-Octylphenol monoethoxylate solution; Triton X 45; Triton X 305; DSSTox_CID_14085; DSSTox_RID_79110; DSSTox_GSID_34085; Marlophen 820; Neutronyx 605; Ethanol, 2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)-; Hyonic pe-250; Triton X 35; Octoxinolum; Triton X 165; Triton X 405; Triton X 705; Triton X-102; MFCD00132505; Peg 4-isooctylphenyl ether; Peg 4-tert-octylphenyl ether; CAS-9002-93-1; Ethanol, octylphenoxy-; Triton X 102; 2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethanol; p-tert-(Octylphenoxypolyethoxy)ethanol; Polyoxyethylene (9) octylphenyl ether; Polyoxyethylene (13) octylphenyl ether; Polyethylene glycol 450 octyl phenyl ether; Octoxinol (INN); NSC 5259; Peg (P-(1,1,3,3-tetramethylbutyl)phenyl) ether; Octyl phenol condensed with l2-l3 moles ethylene oxide; Octoxynol 9 (NF); Octylphenol Ethoxylate; Triton,(+); Igepal CA 630; Triton X-405; Polyethylene glycol mono(p-(1,1,3,3-tetramethylbutyl)phenyl) ether; Triton X-100 (TN); alpha-(4-(1,1,3,3-Tetramethylbutyl)phenyl)-omega-hydroxypoly(oxy-1,2-ethanediyl); SCHEMBL33822; CHEMBL39763; octylphenoxy polyethoxy ethanol; 2-[4-(2,4,4-Trimethyl-2-pentanyl)phenoxy]ethanol; alpha-(P-(1,1,3,3-Tetramethylbutyl)phenoxy)ethanol; CHEBI:9750; DTXSID1058680; DTXSID8034085; BDBM81480; NSC5259; 4-iso-Octylphenol-mono-ethoxylate; CHEBI:177811; Bio1_000474; Bio1_000963; Bio1_001452; ETHANOL, 2-(P-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)-; CAS_5590; NSC-5259; NSC_5590; ZINC1532311; EINECS 264-520-1; Tox21_111055; Tox21_202544; PDSP1_001087; PDSP2_001071; STL451484; AT25387; MCULE-7119685362; NSC-406472; Polyethylene glycol p-octylphenyl ether; NCGC00260093-01; AS-68067; CAS_118-96-7; 4-tert-Octylphenol Monoethoxylate-[13C6]; Ethanol,1,3,3-tetramethylbutyl)phenoxy]-; FT-0673247; FT-0689215; Polyethylene glycol 4-tert-octylphenyl ether; D05229; J-015013; 4-tert-Octylphenol-monoethoxylate-ring-13C6 solution; Q27253450; 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethan-1-ol; 4-(1,1,3,3-Tetramethylbutyl)phenyl-polyethylene glycol; 4-iso-Octylphenol-mono-ethoxylate 10 microg/mL in Acetone; Glycols, mono[p-(1,1,3,3-tetramethylbutyl)phenyl] ether; Polyethylene glycol p-(1,3,3-tetramethylbutyl)phenyl ether; Phenol,1,3,3-tetramethylbutyl)-, monoether with polyethylene glycol; Polyethylene glycol mono[p-(1,3,3-tetramethylbutyl)phenyl] ether; 4-tert-Octylphenol monoethoxylate solution, 1 mug/mL in acetone, analytical standard; 4-tert-Octylphenol monoethoxylate solution, 10 mug/mL in acetone, analytical standard; Poly(oxy-1, .alpha.-[4-(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-; 3,9,12,15,18,21,24,27,30-Decaoxatriacontan-1-ol, 30-[p-(1,1,3,3-tetramethylbutyl)phenyl]-; 63869-93-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	406472	.	.	.	.	250.38	C16H26O2	29.5	232	4.6	18	1	2	6	"InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3"	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO	JYCQQPHGFMYQCF-UHFFFAOYSA-N
DG50184	Malonoben	5614	"tyrphostin A9; Malonoben; 10537-47-0; Tyrphostin 9; 2-(3,5-Di-tert-butyl-4-hydroxybenzylidene)malononitrile; NSC 242557; GCP 5126; ENT 27910; SF 6847; AG 17; UNII-87TE8MRS65; RG-50872; (3,5-Di-t-butyl-4-hydroxybenzylidene)malononitrile; Tyrphostin 9 (RG-50872, Malonaben, SF 6847); S-15126; 3,5-di-t-Butyl-4-hydroxy-benzylidenemalononitrile; MLS002702095; 87TE8MRS65; CHEBI:82168; 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile; GCP5126; 2-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile; MFCD00209853; NSC242557; Propanedinitrile, 2-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-; Malonoben [ANSI]; 3,5-Di-tert-butyl-4-hydroxybenzilidenemalononitrile; (3,5-Di-tert-butyl-4-hydroxy-benzylidene)malononitrile; (3,5-di-tert-butyl-4-hydroxybenzylidene)propanedinitrile; Caswell No. 291AA; 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-propanedinitrile; Gulf S-15126; SMR001230759; Malonoben [ANSI:ISO]; EPA Pesticide Chemical Code 537200; BRN 2700764; Malonaben; AI3-27910; tyrphostin-A9; propanedinitrile, 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-; Tyrphostin AG 17; Tyrphostin 9AG-17; Tyrphostin A9, solid; TYRPHOSTINA9; Lopac-T-182; BiomolKI_000020; 2-((3,5-Bis(1,1-dimethyl)-4-hydroxyphenyl)methylene)propanedinitrile; BiomolKI2_000009; 2-((3,5-bis(1,1-Dimethylethyl)-4-hydroxyphenyl)methylene)propanedinitrile; Propanedinitrile, ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-; Neuro_000115; CBiol_001719; Lopac0_001254; Oprea1_168738; BMK1-C8; BSPBio_001200; KBioGR_000540; KBioSS_000540; 4-10-00-02178 (Beilstein Handbook Reference); MLS002153354; CHEMBL78150; SCHEMBL120440; TYRPHOSTIN 9, AG-9; Tyrphostin 9 (SF 6847); AG17; BDBM4325; ZINC5256; DTXSID1042106; KBio2_000540; KBio2_003108; KBio2_005676; KBio3_000979; KBio3_000980; Bio1_000005; Bio1_000494; Bio1_000983; Bio2_000440; Bio2_000920; HMS1362L21; HMS1792L21; HMS1990L21; HMS2232D08; HMS3263L10; HMS3371F08; HMS3403L21; HMS3651J06; MALONONITRILE, 3,5-DI-tert-BUTYL-4-HYDROXYBENZYLIDENE-; 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]propanedinitrile; BCP06486; Malononitrile, (3,5-di-tert-butyl-4-hydroxybenzylidene)- (8CI); Tox21_501254; HSCI1_000185; MCK103008; s2895; STL406446; [[3,5-bis(1,1-Dimethylethyl)-4-hydroxyphenyl]methylene]propanedinitrile; AKOS024319213; Propanedinitrile,2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-; CCG-100624; CS-1033; LP01254; MCULE-2226202492; NSC-242557; QC-1143; SDCCGSBI-0051221.P002; SF-6847; IDI1_002195; benzylidenemalononitrile (BMN) deriv. 9; NCGC00015992-01; NCGC00015992-02; NCGC00015992-03; NCGC00015992-04; NCGC00015992-05; NCGC00015992-06; NCGC00015992-07; NCGC00094494-01; NCGC00094494-02; NCGC00094494-03; NCGC00094494-04; NCGC00094494-05; NCGC00261939-01; AC-32053; HY-15511; LS-14656; NCI60_001943; SF 6847;RG-50872; EU-0101254; SW219498-1; T-182; Y0356; A11949; C19039; N10851; 2,6-Di-tert-butyl-4-(2,2-dicyanovinyl)phenol; AG 17 - CAS 10537-47-0; SR-01000075534; J-001407; J-524054; Malononitrile,5-di-tert-butyl-4-hydroxybenzylidene-; SR-01000075534-1; 3,5-di-tert-butyl-4-hydroxybenzylidene-malononitrile; BRD-K40255344-001-04-4; BRD-K40255344-001-05-1; Q27155778; (3,5-di-tert-butyl-4-hydroxybenzylidene)-Malononitrile; 2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-malononitrile; 2-[[3,1-dimethyl)-4-hydroxyphenyl]methylene]propanedinitrile; 2-[[3,1-dimethylethyl)-4-hydroxyphenyl]methylene]propanedinitrile; [[3,5-bis(1,1-Dimethylethyl)-4-hydroxyphenyl]methylene]-propanedinitrile; Propanedinitrile,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-; [[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]propanedinitrile, 9CI"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	242557	.	.	.	.	282.4	C18H22N2O	67.8	459	5	21	1	3	3	"InChI=1S/C18H22N2O/c1-17(2,3)14-8-12(7-13(10-19)11-20)9-15(16(14)21)18(4,5)6/h7-9,21H,1-6H3"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N	MZOPWQKISXCCTP-UHFFFAOYSA-N
DG50185	Undecylenic acid	5634	"undecylenic acid; 10-UNDECENOIC ACID; Undec-10-enoic acid; 112-38-9; Undecenoic acid; 10-Hendecenoic acid; Desenex; Renselin; Declid; Sevinon; 9-Undecylenic acid; 10-Undecylenic acid; Undecyl-10-enic acid; UNDECEN-10-ACID-1; Undecylenic Acids; Kyselina undecylenova; 10-Henedecenoic acid; undecylenate; FEMA No. 3247; 10-Hendecenoic; Desenex, solution; NSC 2013; n-Undecylenic acid; UNII-K3D86KJ24N; omega-undecenoic acid; Cruex (TN); omega-hendecenoic acid; CHEBI:35045; MFCD00004442; 1333-28-4; 10-Undecenoic acid, 98%; Undecylenic acid (JAN/USP); K3D86KJ24N; 10-Undecenoic acid, homopolymer; NSC2013; NSC-2013; Undesine; Cruex; C11:1n-1; NCGC00159425-02; NCGC00159425-04; Desenex solution; DSSTox_CID_15001; DSSTox_RID_79235; DSSTox_GSID_35001; 96451-28-4; Caswell No. 901; Undecenoic acid, omega-; Undecylenic acid [JAN]; Hendecenoic acid, omega-; CAS-112-38-9; Kyselina undecylenova [Czech]; EINECS 203-965-8; EPA Pesticide Chemical Code 085501; BRN 1762631; Kyselina 9-decen-1-karboxylova [Czech]; Undecylenic acid [USP:JAN]; undecelinic acid; undecylenic-acid; AI3-02065; Kyselina 9-decen-1-karboxylova; Undecylenenic acid; 10-Undecensaeure; 10-Undecenic acid; EINECS 215-583-9; Undecen-10-saeure; n-UNDECYLENIC ACID (10-1); Zinc Undecylenate (undecylenic acid); 10-undeceneoic acid; acide 10-undecylique; acido 10-undecenoico; acide 10-undecanoique; Undecylenic acid, USAN; EC 203-965-8; NCIOpen2_002642; WLN: QV9U1; SCHEMBL17827; 4-02-00-01612 (Beilstein Handbook Reference); CHEMBL1276010; DTXSID8035001; FEMA 3247; Undecylenic acid, >=95%, FG; Undecylenic acid, >=96%, FG; HMS2093L21; Pharmakon1600-01505468; HY-B0914; ZINC1577120; Tox21_111657; Tox21_300383; BBL027462; BDBM50248304; LMFA01030036; NSC759153; s9452; STK801548; AKOS009031595; Tox21_111657_1; CCG-213461; DB11117; MCULE-7928135942; NSC-759153; 10-Undecenoic acid, analytical standard; NCGC00159425-03; NCGC00159425-05; NCGC00159425-09; NCGC00254296-01; Undecylenic acid, natural, >=97%, FG; NCI60_001670; SBI-0206806.P001; SBI-0206806.P002; FT-0607203; U0007; 10-Undecenoic acid, purum, >=97.0% (GC); D02159; P19683; AB00630892_02; Q420346; SR-05000002050; 10-Undecenoic acid, Vetec(TM) reagent grade, 98%; SR-05000002050-1; W-200840; F0001-0258; Undecylenic acid, United States Pharmacopeia (USP) Reference Standard; 10-Undecenoic acid, puriss., meets analytical specification of Ph. Eur., BP, USP, 98-100.5%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2013	.	.	.	.	184.27	C11H20O2	37.3	141	3.9	13	1	2	9	"InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)"	C=CCCCCCCCCC(=O)O	FRPZMMHWLSIFAZ-UHFFFAOYSA-N
DG50186	Usnic acid	5646	"usnic acid; 125-46-2; Usniacin; Usno; Usninic acid; 1,3(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-; usnic-acid; L-Usnic acid; NSC 8517; NSC5890; 7-Hydroxy-(S)-usnate; 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyl-1,3(2H,9bH)-dibenzofurandione; 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bh)-dione; 2,6-Diacetyl-1,2,3,9b-tetrahydro-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione; CHEBI:2264; NSC5889; NSC8517; Usninsaeure [German]; (+-)-Uanic acid; 4,10-diacetyl-11,13-dihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),6,10,12-tetraene-3,5-dione; CCRIS 5518; HSDB 7170; EINECS 204-740-7; BRN 1299865; Usinic acid; AI3-50457; Spectrum_000177; (+/-)-Usnic acid; Spectrum2_000744; Spectrum3_001195; Spectrum4_001811; Spectrum5_000541; USNIC ACID, (D); USNIC ACID, (L); (.+/-.)-Usnic acid; BSPBio_002869; KBioGR_002446; KBioSS_000657; DivK1c_001009; SCHEMBL177774; SPBio_000728; CHEMBL1375951; DTXSID0040123; HMS503I19; KBio1_001009; KBio2_000657; KBio2_003225; KBio2_005793; KBio3_002369; NINDS_001009; 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-dibenzofuran-1,3-dione; 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione; HY-N0656; NSC-5889; NSC-5890; NSC-8517; BBL009902; CCG-40251; s4953; STK801335; 1,3-(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-; AKOS005613032; SDCCGMLS-0066516.P001; IDI1_001009; NCGC00094823-01; NCGC00094823-02; NCGC00094823-03; AS-18744; NCI60_004436; NCI60_004437; CS-0009679; FT-0605175; FT-0627625; U0023; X1246; A805384; Usnic acid, Antibiotic for Culture Media Use Only; Q-100111; BRD-A85739295-001-03-6; Q27105599; WLN: T B656 CV EV HO FU BHT & JB1 DV1 KQ L1 MQ; 1,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-; Dibenzofuran-1,9bH)-dione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-; (+/-)-1,3(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-; 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-9bh-dibenzofuran-1,3-dione, AldrichCPR; 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-dibenzofuran-1,3-dione;Usnic acid; 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bh)-dione #; 2,6-Diacetyl-1,2,3,9b-tetrahydro-7,9-dihydroxy-8,9b-dimethyldiben- zofuran-1,3-dione/ Usno"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5889	.	.	.	.	344.3	C18H16O7	118	708	1.4	25	2	7	2	"InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3"	CC1=C(C(=C2C(=C1O)C3(C(=CC(=O)C(C3=O)C(=O)C)O2)C)C(=O)C)O	CUCUKLJLRRAKFN-UHFFFAOYSA-N
DG50187	"7,11,13,19-Tetramethyl-2-oxoazacycloicosa-3,5,10,13,15-pentaen-8-yl 2,4,6-trideoxy-4-(methylamino)hexopyranoside"	5664	"NSC641691; Neuro_000316; 7,11,13,19-Tetramethyl-2-oxoazacycloicosa-3,5,10,13,15-pentaen-8-yl 2,4,6-trideoxy-4-(methylamino)hexopyranoside; NCI60_014096"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641691	.	.	.	.	500.7	C30H48N2O4	79.8	829	5	36	3	5	3	"InChI=1S/C30H48N2O4/c1-21-12-8-7-9-13-23(3)20-32-28(34)15-11-10-14-24(4)27(17-16-22(2)18-21)36-29-19-26(33)30(31-6)25(5)35-29/h7-8,10-12,14-16,23-27,29-31,33H,9,13,17-20H2,1-6H3,(H,32,34)"	CC1CCC=CC=C(CC(=CCC(C(C=CC=CC(=O)NC1)C)OC2CC(C(C(O2)C)NC)O)C)C	FINGADBUNZWVLV-UHFFFAOYSA-N
DG50188	Lificiguat	5712	"yc-1; Lificiguat; 170632-47-0; YC 1; 3-(5'-Hydroxymethyl-2'-furyl)-1-benzylindazole; (5-(1-benzyl-1H-indazol-3-yl)furan-2-yl)methanol; UNII-515CC1WPTE; 154453-18-6; [5-(1-benzylindazol-3-yl)furan-2-yl]methanol; 515CC1WPTE; CHEMBL333985; 3-(5'-Hydroxymethyl-2'-furyl)-1-benzyl indazole; 3-(5/'-hydroxymethyl-2/'-furyl)-1-benzylindazole; 5-[1-(Phenylmethyl)-1H-indazol-3-yl]-2-furanmethanol; YC1; 1-Benzyl-3-(5-hydroxymethyl-2-furyl)indazole; [5-(1-benzyl-1H-indazol-3-yl)furan-2-yl]methanol; [5-[1-(phenylmethyl)indazol-3-yl]furan-2-yl]methanol; YC 1 compound; YC-1 compound; Lificiguat [INN]; SMR000857214; Lificiguat(YC-1); SR-01000076202; [5-(1-benzyl-1h-indazol-3-yl)-2-furyl]methanol; lificiguatum; YC-1(Lificiguat); YC-1; Lificiguat; YC-1, powder; 2-Furanmethanol,5-[1-(phenylmethyl)-1H-indazol-3-yl]-; Lopac-Y-102; Lopac0_001230; BSPBio_000987; KBioGR_000327; KBioSS_000327; MLS001333257; MLS001333258; MLS002172480; MLS006012048; SCHEMBL187837; GTPL5291; CHEBI:93060; KBio2_000327; KBio2_002895; KBio2_005463; KBio3_000653; KBio3_000654; DTXSID70165635; CHEBI:142430; Bio2_000324; Bio2_000804; HMS1362A09; HMS1792A09; HMS1990A09; HMS2235B17; HMS3263F22; HMS3373B12; HMS3403A09; HMS3649M04; KUC114162N; BCP09072; EX-A2409; VGA63247; ZINC1492386; Tox21_501230; 4164AH; BDBM50095469; MFCD06407798; NSC728165; NSC756879; s7958; AKOS022180370; CCG-205304; CS-3363; LP01230; NSC 728165; NSC-728165; NSC-756879; SDCCGSBI-0051197.P002; IDI1_002079; QTL1_000091; NCGC00016103-01; NCGC00016103-02; NCGC00016103-03; NCGC00016103-04; NCGC00016103-05; NCGC00016103-06; NCGC00016103-07; NCGC00016103-17; NCGC00094472-01; NCGC00094472-02; NCGC00094472-03; NCGC00094472-04; NCGC00261915-01; AC-29036; AS-55797; DA-29768; HY-14927; KSC-412-005-; B7641; EU-0101230; FT-0757306; Y-102; 1-Benzyl-3-(5-hydroxymethylfur-2-yl)indazole; 1-Benzyl-3-(5'-hydroxymethyl-2-furyl)indazole; 3-(5'-hydroxymethyl-2'furyl)-1-benzyl-indazole; A907557; 1-Benzyl-3-(5-hydroxymethyl-2-furyl)-1H-indazole; J-010636; SR-01000076202-1; SR-01000076202-7; BRD-K60476892-001-02-1; BRD-K60476892-001-11-2; Q27089256; [5-(1-Benzyl-1H-indazol-3-yl)-furan-2-yl]-methanol; 1-(1-benzyl-3-(5''-hydroxymethyl-2''-furyl)-indazole; 2-Furanmethanol, 5-[1-(phenylmethyl)-1H-indazol-3-yl]-; 5-a[1-a phenylmethyl)-a H-aindazol-a -ayl]-a -afuranmethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728165	.	.	.	.	304.3	C19H16N2O2	51.2	386	3.1	23	1	3	4	"InChI=1S/C19H16N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-11,22H,12-13H2"	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)C4=CC=C(O4)CO	OQQVFCKUDYMWGV-UHFFFAOYSA-N
DG50189	Aztec	5726	"NSC602670; Azidothymidine (AZT); BW-A 509U; Aztec; 3'-Deoxy-3'-azidothymidine; Azitidin; Timazid; Zidovudine, AZT; NSC-602670; Thymidine, 8CI,; Trizivir (Salt/Mix); 3-Azido-3-deoxythymidine; CHEMBL178240; SCHEMBL13609910; component of Combivir (Salt/Mix); HMS3369K15; HMS3656A20; BCP03622; 3'-Azido-3'-deoxythymidine, 98%; STL451000; STL454167; ZINC04164448; AKOS015949577; AKOS037482514; CCG-229922; MCULE-3669241621; NCGC00015044-03; NCGC00015044-04; NCGC00015044-05; NCGC00094963-01; NCGC00094963-02; NCI60_004566; FT-0601543; 1-(3-azido-2,3-dideoxypentofuranosyl)-2-hydroxy-5-methylpyrimidin-4(1H)-one; 1-(3-azido-2,3-dideoxypentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one; ZVD"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602670	.	.	.	.	267.24	C10H13N5O4	93.2	484	0	19	2	6	3	"InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)"	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]	HBOMLICNUCNMMY-UHFFFAOYSA-N
DG50190	3-(dimethylamino)-N-(3-(4-hydroxybenzamido)-4-methylphenyl)benzamide	5730	"ZM 336372; 208260-29-1; ZM336372; ZM-336372; 3-(dimethylamino)-N-(3-(4-hydroxybenzamido)-4-methylphenyl)benzamide; N-[5-(3-Dimethylaminobenzamido)-2-methylphenyl]-4-hydroxybenzamide; CHEMBL186526; n-(5-(3-dimethylaminobenzamido)-2-methylphenyl)-4-hydroxybenzamide; 3-(dimethylamino)-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]benzamide; 3-(Dimethylamino)- N -[3-[(4-hydroxybenzoyl)-amino]-4-methylphenyl]benzamide; Benzamide, 3-(dimethylamino)-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]-; Bio1_001346; compound 1 [PMID: 15454231]; BiomolKI_000053; BiomolKI2_000059; BMK1-F5; BSPBio_001240; KBioGR_000580; KBioSS_000580; MLS006011222; GTPL9130; SCHEMBL1424183; CHEBI:95033; KBio2_000580; KBio2_003148; KBio2_005716; KBio3_001039; KBio3_001040; AOB6016; DTXSID70274478; Bio1_000368; Bio1_000857; Bio2_000460; Bio2_000940; HMS1362N21; HMS1792N21; HMS1990N21; HMS3267N15; HMS3403N21; HMS3412G10; HMS3656J17; HMS3676G10; HMS3750E15; ZINC581684; BCP02628; EX-A4551; BDBM50153835; MFCD02683971; NSC756654; ZINC00581684; AKOS005266695; BCP9000021; CCG-100657; CS-0693; NSC-756654; SB19423; IDI1_002215; NCGC00025109-01; NCGC00025109-02; NCGC00025109-03; NCGC00025109-04; NCGC00025109-06; AS-73349; HY-13343; SMR004702983; FT-0675916; SW218185-2; X7462; EC-000.2459; ZM 336372, >=98% (HPLC); A852470; SR-01000597402; J-013659; SR-01000597402-1; BRD-K73789395-001-04-0; BRD-K73789395-001-05-7; Q27089299; ZM 336372 - CAS 208260-29-1; N-[5-(3-dimethylaminobenzamido)-2-methylphenyl]4-hydroxybenzamide; 3-(Dimethylamino)-N-[3-[(4-hydroxybenzoyl)-amino]-4-methylphenyl]benzamide; 3-dimethylamino-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]benzamide; 1-(3-dimethylaminophenylcarboxamido)-3-(4-hydroxyphenylcarboxamido)-4-methylbenzene; 3-(Dimethylamino)-N-[3-[(4-hydroxybenzoyl)-aMino]-4-Methylphenyl]benzamide;ZM336372; Benzamide, 3-(dimethylamino)-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]; N-{5-[3-(DIMETHYLAMINO)BENZAMIDO]-2-METHYLPHENYL}-4-HYDROXYBENZAMIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756654	.	.	.	.	389.4	C23H23N3O3	81.7	560	3.7	29	3	4	5	"InChI=1S/C23H23N3O3/c1-15-7-10-18(24-23(29)17-5-4-6-19(13-17)26(2)3)14-21(15)25-22(28)16-8-11-20(27)12-9-16/h4-14,27H,1-3H3,(H,24,29)(H,25,28)"	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N(C)C)NC(=O)C3=CC=C(C=C3)O	PYEFPDQFAZNXLI-UHFFFAOYSA-N
DG50192	Triethylenemelamine	5799	"Triethylenemelamine; Tretamine; 51-18-3; Trisaziridinyltriazine; Tretamin; Triamelin; Triethanomelamine; Persistol; Triaziridinyl triazine; Tem-Simes; TEM (cytostatic); 2,4,6-Tris(1-aziridinyl)-s-triazine; 2,4,6-tris(aziridin-1-yl)-1,3,5-triazine; Melamine, triethylene-; Persistol Ho 1/193; Persistol Hoe 1/193; Tris(ethyleneimino)triazine; Triaethylenmelamin; 1,3,5-Triazine, 2,4,6-tris(1-aziridinyl)-; DRP 859025; ENT 25,296; SK 1133; NSC9706; UNII-F7IY6HZG9D; Trisethyleneimino-1,3,5-triazine; 2,4,6-Triethylenimino-s-triazine; NSC 9706; R 246; TEM; 2,4,6-tri(aziridin-1-yl)-1,3,5-triazine; 2,4,6-Tris(1-aziridinyl)-1,3,5-triazine; 2,4,6-Tris(ethylenimino)-s-triazine; M 9500; 2,4,6-Tris(ethyleneimino)-s-triazine; 2,4,6-Tri(ethyleneimino)-1,3,5-triazine; R-246; NSC-9706; 2,4,6-Tris(1'-aziridinyl)-1,3,5-triazine; M-9500; F7IY6HZG9D; 1,1',1''-s-Triazine-2,4,6-triyltrisaziridine; Aziridine, 1,1',1''-s-triazine-2,4,6-triyltris-; TAT; 2,4,6-Tri(1-aziridinyl)-1,3,5-triazine; CHEBI:27919; S-TRIAZINE, 2,4,6-TRIS(1-AZIRIDINYL)-; Tretaminum; Tretamina; Tretaminum [INN-Latin]; Tretamina [INN-Spanish]; Triaethylenmelamin [German]; Tretamine [INN]; CCRIS 613; HSDB 4000; 2,4,6-Triethyleneimino-s-triazine; Triethylenemelamine [NF]; EINECS 200-083-5; BRN 0242245; 2,4,6-Triethylenimino-1,3,5-triazine; AI3-25296; triethylene melamine; NCIMech_000144; SCHEMBL8359; CHEMBL502384; 2,6-Tri(ethylenimino-s-trazine; DTXSID3026225; IUCJMVBFZDHPDX-UHFFFAOYSA-; 2,6-Tri(ethyleneimino)-s-triazine; 2,6-Tris(ethylenimino)-s-triazine; ZINC1530868; 2,6-Tris(ethyleneimino)-s-triazine; 2,6-Tris(1-aziridinyl)-s-triazine; CCG-35428; 2,4,6-Tri(ethylenimino)-s-triazine; 2,4,6-Tri(ethyleneimino)-s-triazine; AKOS015907094; s-Triazine,4,6-tris(1-aziridinyl)-; DB14031; MCULE-8424616595; 2,6-Tri(ethylenimino-1,3,5-triazine; 2,6-Tri(ethyleneimino)-1,3,5-triazine; NCI60_042167; SK #1133; 2,6-Tris(1-aziridinyl)-1,3,5-triazine; 2,4,6-Tri(ethylenimino)-1,3,5-triazine; 1,1''-s-Triazine-2,4,6-triyltrisaziridine; 1,5-Triazine, 2,4,6-tris(1-aziridinyl)-; 2,4,6-Tri(1-aziridinyl)-1,3,5-triazine #; C07642; 2,4,6-tris(aziridin-1-yl)-[1,3,5]triazine; AB00641911-02; A871352; Aziridine,1',1''-s-triazine-2,4,6-triyltris-; SR-01000941587; Q7841462; SR-01000941587-1; WLN: T6N CN ENJ B- AT3NTJ& D- AT3NTJ& F- AT3NTJ"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9706	.	.	.	.	204.23	C9H12N6	47.7	205	0.7	15	0	6	3	InChI=1S/C9H12N6/c1-2-13(1)7-10-8(14-3-4-14)12-9(11-7)15-5-6-15/h1-6H2	C1CN1C2=NC(=NC(=N2)N3CC3)N4CC4	IUCJMVBFZDHPDX-UHFFFAOYSA-N
DG50193	Mechlorethamine hydrochloride	5935	"55-86-7; Mechlorethamine hydrochloride; Chlormethine hydrochloride; Mechlorethamine HCl; Nitrogen mustard hydrochloride; Chlorethamine; 2-CHLORO-N-(2-CHLOROETHYL)-N-METHYLETHANAMINE HYDROCHLORIDE; HN2 hydrochloride; Chlormethinum; Stickstofflost; Chloramin; Mustine hydrochloride; Azotoyperite; Dichloren; Embikhine; Mitoxine; Dimitan; Erasol; Bis(2-chloroethyl)methylamine hydrochloride; Nitol; Dema; Nitol takeda; Erasol-Ido; Caryolysine; Mustin hydrochloride; Embichin; Nitrogranulogen hydrochloride; N-Mustard; Mechlorethamine chloridrate; N-Methylbis(2-chloroethyl)amine hydrochloride; Stickstofflost-ebewe; Dichloromethyldiethylamine hydrochloride; 2,2'-Dichloro-N-methyldiethylamine hydrochloride; 1,5-Dichloro-3-methyl-3-azapentane hydrochloride; Di(2-chloroethyl)methylamine hydrochloride; Methyldi(2-chloroethyl)amine hydrochloride; NCI-C56382; ChlorMethine HCl; MBA hydrochloride; Methylbis(2-chloroethyl)amine hydrochloride; UNII-L0MR697HHI; Ethanamine, 2-chloro-N-(2-chloroethyl)-N-methyl-, hydrochloride; Chlormethine (hydrochloride); SK 101; N-Methyl-2,2'-dichlorodiethylamine hydrochloride; Methyldi(beta-chloroethyl)amine hydrochloride; N-Methyl-di-2-chloroethylamine hydrochloride; N-Lost; Methyl-bis(beta-chloroethyl)amine hydrochloride; N-Methyl-bis-beta-chlorethylamine hydrochloride; C 6866; N,N-Bis(2-chloroethyl)methylamine hydrochloride; Nitrogen mustard (HN-2), hydrochloride; L0MR697HHI; beta,beta'-Dichlorodiethyl-N-methylamine hydrochloride; NSC762; 2-Chloro-N-(2-chloroethyl)-N-methylethanamine hydrochlroide; CHEBI:55368; N,N-Bis(2-chloraethyl)methylamin-hydrochlorid; Bis(2-chloroethyl)-N-methylamine hydrochloride; NSC-762; Mechlorethamine hydrochloride [USP]; Carolysine; Mebichloramine; Nitrogranulogen; Embechine; MFCD00012517; NCGC00091835-01; Embiquine; Zagreb; Pliva; bis-(2-chloroethyl)methylamine hydrochloride; C5H11Cl2N.HCl; DSSTox_CID_5757; DSSTox_RID_77910; DSSTox_GSID_25757; Kloramin (VAN); N-Mustard [German]; 2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydrochloride; Mechlorethamine hydrochloride (USP); CAS-55-86-7; CCRIS 448; Dichloren hydrochloride; HSDB 7176; EINECS 200-246-0; AI3-16195; Mustine hydrochlor; Nitol 'takeda'; Mustargen (TN); Prestwick_37; Valchlor (TN); Erasol hydrochloride; Nitrogen mustard HCl; Embichin hydrochloride; Chloramin hydrochloride; Mustargen hydrochloride; N,N-Bis(2-chloraethyl)methylamin-hydrochlorid [German]; Caryolysine hydrochloride; NSC-762 hydrochloride; Chlormethini hydrochloridum; Chloromethine hydrochloride; Mechorethamine hydrochloride; SCHEMBL3855; MLS003899210; Diethylamine, 2,2'-dichloro-N-methyl, hydrochloride; CHEMBL1201001; DTXSID8025757; WLN: G2N1&2G &GH; AOB5509; Mechlorethamine hydrochloride, 98%; HY-B1253; Tox21_111170; Tox21_200638; s4252; AKOS015915356; Tox21_111170_1; CCG-264667; CS-5080; MCULE-9007971316; Nitrogen mustard (HN 2) hydrochloride; bis(2-chloroethyl)methylammonium chloride; NCGC00091835-10; NCGC00258192-01; BP-20221; SMR000059226; DB-007290; bis(2-chloroethyl)-methylamine hydrochloride; bis(2-chloroethyl)methyl amine hydrochloride; N,N-bis(chloroethyl)methylamine hydrochloride; SW220100-1; X2940; bis (2-chloroethyl)-methylamine hydrochloride; bis (2-chloroethyl)methyl amine hydrochloride; bis-(2-chloroethyl)-methylamine hydrochloride; n-methylbis (2-chloroethyl)amine hydrochloride; bis-(2-chloroethyl)-methyl-amine hydrochloride; D04872; F11444; J10403; Methyldi(.beta.-chloroethyl)amine hydrochloride; N-methyl-bis-(2-chloroethyl)amine hydrochloride; N-methylbis(2-chloroethyl)-amine hydrochloride; 2,2'-Dichloro-N-methyldiethylamino hydrochloride; Bis(2-chloroethyl)methylamine-[d4] Hydrochloride; bis-(2-Chloro-ethyl)-methyl-amine hydrochloride; Diethylamine,2'-dichloro-N-methyl, hydrochloride; Methylbis(.beta.-chloroethyl)amine hydrochloride; Diethylamine,2'-dichloro-N-methyl-, hydrochloride; Methyl bis(.beta.-chloroethyl)amine, hydrochloride; N-Methylbis(.beta.-chlorethyl)amine hydrochloride; 1,5-Dichloro-3-methyl-3-azapentane, hydrochloride; N,N-bis(2-chloroethyl)-N-methylamine hydrochloride; W-105542; Q27124263; .beta.,.beta.'-Dichlorodiethyl-N-methylamine hydrochloride; 2-chloro-N-(chloroethyl)-N-methylethanamine hydrochloride; 2-chloro-N-(2 -chloroethyl)-N-methylethanamine hydrochloride; 2-chloro-N-(2-chloroethyl) -N-methylethanamine hydrochloride; 2-Chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762	.	.	.	.	192.5	C5H12Cl3N	3.2	43.7	.	9	1	1	4	"InChI=1S/C5H11Cl2N.ClH/c1-8(4-2-6)5-3-7;/h2-5H2,1H3;1H"	CN(CCCl)CCCl.Cl	QZIQJVCYUQZDIR-UHFFFAOYSA-N
DG50195	Cetrimonium bromide	5974	"Cetrimonium bromide; 57-09-0; Cetyltrimethylammonium bromide; Hexadecyltrimethylammonium bromide; CTAB; Centimide; CETAB; Bromat; Ctmab; Cee dee; Hexadecyl trimethyl ammonium bromide; Trimethylcetylammonium bromide; Acetoquat CTAB; Cetyl trimethyl ammonium bromide; Cetaflon; Cetavlon; Lauroseptol; Lissolamine; Pollacid; Quamonium; Suticide; Cetarol; Micol; Cetrimide bp; Lissolamine A; Cetavlon bromide; Lissolamin V; N-Cetyltrimethylammonium bromide; Cetrimonium (bromide); Cycloton V; Cirrasol OD; Softex KW; Cetrimonii bromidum; Hexadecyltrimethylammoniumbromide; Bromuro de cetrimonio; Trimethylhexadecylammonium bromide; Bromure de cetrimonium; N-HEXADECYLTRIMETHYLAMMONIUM BROMIDE; N,N,N-trimethylhexadecan-1-aminium bromide; (1-Hexadecyl)trimethylammonium bromide; Palmityltrimethyl ammonium bromide; N,N,N-Trimethylcetylammonium bromide; 1-Hexadecanaminium, N,N,N-trimethyl-, bromide; N,N,N-Trimethyl-1-hexadecanaminium bromide; UNII-L64N7M9BWR; N-Hexadecyl-N,N,N-trimethylammonium bromide; CHEBI:3567; Palmityltrimethylammonium bromide; 1-Hexadecyltrimethylammonium bromide; MFCD00011772; Cetrimonium Bromide (CTAB); L64N7M9BWR; cetyl trimethylammonium bromide; CHEMBL307346; hexadecyltrimethylazanium bromide; Hexadecyl-trimethyl-ammonium; bromide; NSC-32927; 1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1); NCGC00164283-01; Cetrimida; Mical; Cirrasol-OD; DSSTox_CID_17028; DSSTox_RID_79297; DSSTox_GSID_37028; Bromat (VAN); Micol (VAN); Caswell No. 167; Lissolamine V (VAN); Cetavlex; Cradocap; Zetrimid; Cetrimide [INN:BAN:JAN]; Cetyltrimethylammonium (bromide);Hexadecyltrimethylammonium (bromide);CTAB; Cetrimonio bromuro; Cetrimonio bromuro [DCIT]; CAS-57-09-0; CTABR; Cetrimonii bromidum [INN-Latin]; SR-05000001830; EINECS 200-311-3; Bromure de cetrimonium [INN-French]; Bromuro de cetrimonio [INN-Spanish]; NSC 32927; cetyltrimethylammoniumbromide; EPA Pesticide Chemical Code 069117; C19H42BrN; AI3-12209; cetyl N; Hexadecanyltrimethylammonium bromide; hexadecyl(trimethyl)azanium bromide; Cetrimonium bromide [INN:BAN:NF]; hexadecyl(trimethyl)ammonium bromide; Ammonium, hexadecyltrimethyl-, bromide; Sumquat 6030; Epitope ID:116869; EC 200-311-3; SCHEMBL4377; Zephirol Related Compound 5; cetyltrimethyl ammonium bromide; cetyltrimethyl-ammonium bromide; SPECTRUM1503200; Cetrimonium bromide (NF/INN); cetyl trimethyl-ammonium bromide; DTXSID5037028; HMS500K11; hexadecyl-trimethylammonium bromide; N,N-Trimethylcetylammonium bromide; HMS1922G21; HMS2092L22; HMS3652J19; Pharmakon1600-01503200; hexadecyl-trimethyl ammonium bromide; HY-B1260; NSC32927; Tox21_112096; Tox21_300853; CCG-39968; NSC758401; s4242; ScintiGest  Tissue Solubilizer; STL477543; AKOS015915119; Tox21_112096_1; CS-4893; JC10039; MCULE-7452998571; NSC-758401; SB40734; Hexadecyltrimethylammonium bromide, 99%; N,N-Trimethyl-1-hexadecanaminium bromide; NCGC00095012-01; NCGC00095012-02; NCGC00164283-07; NCGC00254756-01; AS-11739; BP-30064; N-Hexadecyl-N,N-trimethylammonium bromide; Q564; WLN: 16K1&1&1 &Q &E; Hexadecyltrimethylammonium bromide, >=98%; 1-Hexadecanaminium,N,N-trimethyl-, bromide; DB-050366; FT-0652251; FT-0655369; H0081; SW220088-1; A16438; D03454; Hexadecyltrimethylammonium bromide, AR, >=99%; A831309; Q416077; Hexadecyltrimethylammonium bromide, >=96.0% (AT); Hexadecyltrimethylammonium bromide, BioXtra, >=99%; Q-200821; SR-05000001830-1; SR-05000001830-3; Hexadecyltrimethylammonium bromide, analytical standard; UNII-24QSH2NL8N component LZZYPRNAOMGNLH-UHFFFAOYSA-M; Hexadecyltrimethylammonium bromide, BioUltra, >=99.0% (AT); Hexadecyltrimethylammonium bromide, for ion pair chromatography; Hexadecyltrimethylammonium bromide, for molecular biology, >=99%; Hexadecyltrimethylammonium bromide, Vetec(TM) reagent grade, 96%; Cetrimonium bromide, United States Pharmacopeia (USP) Reference Standard; Hexadecyltrimethylammonium bromide, BioUltra, for molecular biology, >=99.0% (AT); Hexadecyltrimethylammonium bromide, puriss. p.a., matrix substance for MALDI-MS; Hexadecyltrimethylammonium bromide, PharmaGrade, USP/NF, Manufactured under appropriate controls for pharma or biopharmaceutical production."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32927	.	.	.	.	364.4	C19H42BrN	0	181	.	21	0	1	15	"InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1"	CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]	LZZYPRNAOMGNLH-UHFFFAOYSA-M
DG50196	Tributyrin	6050	"TRIBUTYRIN; 60-01-5; Glyceryl tributyrate; Glycerol tributyrate; Propane-1,2,3-triyl tributyrate; Butyrin; Tributin; Butyryl triglyceride; Glyceroltributyrin; Tri-n-butyrin; Tributyrinine; Tributyroin; Butanoic acid, 1,2,3-propanetriyl ester; Glycerin tributyrate; Tributyryl glyceride; Glycerol tributanoate; Butyrin, tri-; Tributyrl glyceride; 2,3-di(butanoyloxy)propyl butanoate; 1,2,3-Tributyrylglycerol; 1,2,3-Propanetriyl tributanoate; Butyric acid triester with glycerin; FEMA No. 2223; NSC 661583; UNII-S05LZ624MF; CHEBI:35020; 1,2,3-Propanetriol, tributyrate; 2,3-Bis(butyryloxy)propyl butyrate; NSC-661583; S05LZ624MF; NSC661583; HSDB 878; EINECS 200-451-5; BRN 1714746; Kodaflex; tri-butyrin; AI3-01776; MFCD00009392; 1,3-Tributyrylglycerol; Tributyrin, 97%, FG; 1,2,3-tributanoylglycerol; SCHEMBL23825; 4-02-00-00799 (Beilstein Handbook Reference); Glyceryl tributyrate, >=99%; CHEMBL118722; DTXSID4052267; FEMA 2223; s163; DTXSID801017915; propane-1,2,3-triyl tributanoate; ZINC3860906; BDBM50212744; 2,3-Bis(butyryloxy)propyl butyrate #; AKOS015903304; CS-W012120; DB12709; HY-W011404; Glyceryl tributyrate, analytical standard; LS-14448; NCI60_021427; S6263; T0364; Glyceryl tributyrate, puriss., >=98.5% (GC); Glyceryl tributyrate, technical, >=94.0% (GC); Q4116129"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661583	.	.	.	.	302.36	C15H26O6	78.9	304	2.4	21	0	6	14	"InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3"	CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC	UYXTWWCETRIEDR-UHFFFAOYSA-N
DG50197	"2-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid"	6181	"66-02-4; 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid; 3,5-Diiodo-DL-tyrosine; Iodogorgoic acid; Jodgorgosaeure; Apothyrin; Flaianina; Agontan; Cemiod; Dityrin; Itir; Iodogorgonic acid; Gorgoic acid, diiodo-; Gorgonic acid, diiodo-; Jodgorgon; 3,5-Diiodo-4-hydroxyphenylalanine; 2-Amino-3-(4-hydroxy-3,5-diiodophenyl)-propanoic acid; H-3,5-Diiodo-Tyr-OH; DL-3,5-Diiodotyrosine; NSC4143; C9H9I2NO3; 620-59-7; NSC 208959; L-Tyrosine, 3,5-diiodo-; Diidotyrosine; DIT (VAN); DIT; 3,5-Diiodotyrosine (VAN); 3,5-Diiod-L-tyrosin; EINECS 200-620-3; BRN 2218690; beta-(4-Hydroxy-3,5-diiodophenyl)alanine; NSC-97936; NSC208959; Acid, iodogorgoic; 3,5-Dijodtyrosin; EINECS 210-643-0; Tyrosine,5-diiodo-; beta-(3,5-Diiod-4-hydroxyphenyl)alanin; DL-Tyrosine,5-diiodo-; DIIODO-L-TRYOSINE; (S)-3-(4-Hydroxy-3,5-diiodphenyl)alanin; Tyrosine,5-diiodo-, L-; TRYOSINE,5-DIIODO-; Tyrosine,5-diiodo-, DL-; CBDivE_002920; H-Tyr(3,5-DiI)-OH; 2-14-00-00384 (Beilstein Handbook Reference); SCHEMBL147578; (S)-3-(4-Hydroxy-3,5-diiodphenyl)alanin [IUPAC]; 2-amino-3-(4-hydroxy-3,5-diiodo-phenyl)propanoic acid; CHEMBL2003070; L-2-Amino-3-(3,5-diiod-4-hydroxyphenyl)propionsaeure; DTXSID50110067; diiodotyrosine (no stereo defined); HMS3370A04; (2S)-2-ammonio-3-(3,5-diiodo-4-oxidophenyl)propanoate; ACT02979; NSC-4143; NSC97936; 3,5-diiodo-L-Tyrosinic acid(1-); MFCD00063076; NSC 97936; AKOS015998813; MCULE-1965639885; DS-18174; NCI60_001756; .beta.-(4-Hydroxy-3,5-diiodophenyl)alanine; CS-0045361; FT-0614629; FT-0667180; W7710; A913890; Q28091398; F3284-0277; (2S)-2-ammonio-3-(3,5-diiodo-4-Oxidophenyl)propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	208959	.	.	.	.	432.98	C9H9I2NO3	83.6	227	-0.5	15	3	4	3	"InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)"	C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N	NYPYHUZRZVSYKL-UHFFFAOYSA-N
DG50198	Strophanthidin	6185	"strophanthidin; Strophanthidine; Convallatoxigenin; Corchsularin; 66-28-4; k-Strophanthidin; Corchorgenin; Corchoside A aglycon; Erysimupicrone; Corchorin; Strophanthidin K; Erysimupikron; k-Strophanthidine; Apocynamarin; 5beta-Hydroxy-19-oxodigitoxigenin; NSC-86078; 3beta,5,14-Trihydroxy-19-oxo-5beta-card-20(22)-enolide; UNII-W5O632DN33; CHEBI:38178; NSC86078; Antibiotic XS-89; MLS002153969; (3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde; W5O632DN33; MFCD00046266; Cymarigenin; XS-89; Strophantidine; Apocymarin; Cyanotoxin; Cynotoxin; 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide; 5-beta-Hydroxy-19-oxodigitoxigenin; EINECS 200-626-6; NSC 86078; BRN 0097859; Cymarigenen; Strophantidin; 5.beta.-Hydroxy-19-oxodigitoxigenin; Prestwick_117; kappa-Strophanthidine; Corchoside A, aglycon; 3-beta,5,14-Trioxy-19-oxo-carden-(20:22)-olid [German]; 3-beta,5,14-Trioxy-19-oxo-digen-(20:22)-olid [German]; (3beta,5beta)-3,5,14-Trihydroxy-19-oxocard-20(22)-enolide; 19-Oxo-cardogenen-(20:22)-triol-(3-beta,5,14) [German]; 3-beta,5,14-Trihydroxy-19-oxo-5-beta-card-20(22)-enolide; Prestwick0_000710; Prestwick1_000710; Prestwick2_000710; Prestwick3_000710; Card-20(22)-enolide, 3,5,14-trihydroxy-19-oxo-, (3beta,5beta)-; BSPBio_000899; 5-18-05-00126 (Beilstein Handbook Reference); SCHEMBL240582; 3-beta,5,14-Trioxy-19-oxo-carden-(20:22)-olid; 3-beta,5,14-Trioxy-19-oxo-digen-(20:22)-olid; SPBio_002820; BPBio1_000989; CHEMBL111743; 19-OXO-CARDOGENEN-(20:22)-TRIOL-(3-beta,5,14); DTXSID00903966; HMS1570M21; HMS2097M21; HMS2233O14; ZINC3875425; 5-beta-CARD-20(22)-ENOLIDE, 3-beta,5,14-TRIHYDROXY-19-OXO-; BDBM50255120; LMST01120005; AKOS024280415; NCGC00142399-02; (1S,2S,5S,7S,11S,10R,14R,15R)-5,7,11-trihydroxy-15-methyl-14-(5-oxo(3-2-hydrof uryl))tetracyclo[8.7.0.0<2,7>.0<11,15>]heptadecane-2-carbaldehyde; NCI60_041903; SMR001233308; HY-114252; CS-0080731; C19988; SR-01000838893; Q1718068; SR-01000838893-2; BRD-K84595254-001-03-0; BRD-K84595254-001-10-5; 3beta,5,14-Trihydroxy-19-oxo-5beta,20(22)-cardenolide; 5.beta.-Card-20(22)-enolide,5,14-trihydroxy-19-oxo-; UNII-O6I3I9267L component ODJLBQGVINUMMR-HZXDTFASSA-N; WLN: L E5 B666TJ AVH E1 IQ MQ OQ F- DT5OV EHJ; 3.beta.,14-Trihydroxy-19-oxo-5.beta.-card-20(22)-enolide; (3.beta.,5.beta.)-3,5,14-Trihydroxy-19-oxocard-20(22)-enolide; 5beta-Card-20(22)-enolide, 3beta,5,14-trihydroxy-19-oxo- (8CI); Card-20(22)-enolide,5,14-trihydroxy-19-oxo-, (3.beta.,5.beta.)-; Card-20(22)-enolide, 3,5,14-trihydroxy-19-oxo-, (3-beta,5-beta)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	86078	.	.	.	.	404.5	C23H32O6	104	777	0.6	29	3	6	2	"InChI=1S/C23H32O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,13,15-18,25,27-28H,2-9,11-12H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O	ODJLBQGVINUMMR-HZXDTFASSA-N
DG50199	Uracil mustard	6194	"URACIL MUSTARD; Uramustine; 66-75-1; Desmethyldopan; Aminouracil mustard; Demethyldopan; Uramustin; Chlorethaminacil; Uracil nitrogen mustard; Uracilmostaza; Nordopan; Uracillost; 5-Aminouracil mustard; 5-Bis(2-chloroethyl)aminouracil; 5-N,N-Bis(2-chloroethyl)aminouracil; 5-(Di-2-chloroethyl)aminouracil; 5-[Bis(2-chloroethyl)amino]uracil; U-8344; ENT 50439; NSC-34462; CB-4835; RCRA waste number U237; NCI-C04820; SK-19849; 2,6-Dihydroxy-5-bis[2-chloroethyl]aminopyrimidine; UNII-W7KQ46GJ8U; 5-(Bis(2-chloroethyl)amino)uracil; 5-[Di(beta-chloroethyl)amino]uracil; Uramustine (INN); U 8344; 5-(Bis(2-chlorethyl)amino)-2,4(1H,3H)pyrimidinedione; 5-(Bis(2-chloroethyl)amino)-2,4(1H,3H)pyrimidinedione; 5-[bis(2-chloroethyl)amino]pyrimidine-2,4-diol; 2,6-Dihydroxy-5-bis(2-chloroethyl)aminopyrimidine; Uracil, 5-(bis(2-chloroethyl)amino)-; W7KQ46GJ8U; 5-[bis(2-chloroethyl)amino]-1H-pyrimidine-2,4-dione; CHEBI:9884; 2,4(1H,3H)-Pyrimidinedione, 5-(bis(2-chloroethyl)amino)-; 2,4(1H,3H)-Pyrimidinedione, 5-[bis(2-chloroethyl)amino]-; 5-[Di(2-chloroethyl)amino]uracil; Uramustine [INN]; 5-[Di(.beta.-chloroethyl)amino]uracil; Uracil, 5-[bis(2-chloroethyl)amino]-; 5-[bis(2-chloroethyl)amino]-2,4(1H,3H)-pyrimidinedione; NCGC00160575-01; Uramustinum; Uramustina; Uracil lost; Uracil lost [German]; Uramustinum [INN-Latin]; Uramustina [INN-Spanish]; 5-(Bis(2-chloroethyl)amino)pyrimidine-2,4(1H,3H)-dione; 5-[bis(2-chloroethyl)amino]pyrimidine-2,4(1H,3H)-dione; 5-(Di(2-chloroethyl)amino)uracil; 5-(Di-(beta-chloroethyl)amino)uracil; CCRIS 618; Uracil mustard (TN); HSDB 3261; Uracil mustard (USAN); EINECS 200-631-3; NSC 34462; RCRA waste no. U237; Uracil mustard [USAN:USP]; uracil-mustard; AI3-50439; DSSTox_CID_6270; SCHEMBL4091; CHEMBL1488; DSSTox_RID_78084; DSSTox_GSID_26270; MLS003899236; WLN: T6MVMVJ EN2G2G; GTPL7621; ZINC2235; DTXSID8026270; SCHEMBL19915183; BCP27982; NSC34462; Tox21_111911; MFCD00233542; AKOS015850649; AKOS024332500; CS-5184; DB00791; MCULE-1273389092; CAS-66-75-1; Uracil, 5-[bis(2-chloroethyl)-amino]-; HY-13544; NCI60_003061; SMR002543516; DB-005369; FT-0602268; 5-(BIS-(2-CHLOROETHYL)-AMINO)-URACIL; D06265; AB01273928-01; 5-[Bis(2-chlorethyl)amino]-2,3H)pyrimidinedione; A835541; 2,3H)-Pyrimidinedione, 5-[bis(2-chloroethyl)amino]-; 2,6-Dihydroxy-5-[bis(2-chloroethyl)amino]pyrimidine; Q15211075; URACIL  MUSTARD  (500 MG)  (FOR  U.S.  SALE ONLY); 5-[bis(2-chloroethyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34462	.	.	.	.	252.09	C8H11Cl2N3O2	61.4	288	0.5	15	2	3	5	"InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)"	C1=C(C(=O)NC(=O)N1)N(CCCl)CCCl	IDPUKCWIGUEADI-UHFFFAOYSA-N
DG50200	Fluocinolone acetonide	6215	"FLUOCINOLONE ACETONIDE; 67-73-2; Synalar; Flucinar; Synandone; Fluonid; Jellin; Synamol; Synemol; Coriphate; Fluovitif; Flupollon; Percutina; Synandrone; Dermalar; Localyn; Omniderm; Radiocin; Sinalar; Synotic; Tefunote; Synsac; Fluotrex; Retisert; Synalar-HP; Fluocet; Localyn Syntex; Derma-smoothe/fs; Cortiplastol; Prodermin; Flucort; Fluocinolone 16,17-acetonide; Iluvien; Capex; 6alpha-Fluorotriamcinolone acetonide; Fluocinoloni acetonidum; RS-1401 AT; Acetonide de fluocinolone; C24H30F2O6; component of Neo-Synalar; Fluocinolone (Acetonide); Flucort-N; UNII-0CD5FD6S2M; Dermatin (steroid); 6alpha,9alpha-Difluoro-16alpha-hydroxyprednisolone 16,17-acetonide; MFCD00010525; NSC-92339; 0CD5FD6S2M; MLS000028545; Fluocinolonacetonidum; CHEBI:31623; Fluocinolone acetonide (Flucort-N); Fs Shampoo; NSC92339; SMR000058329; Fluocinolone acetonide [DCIT]; DSSTox_CID_20674; DSSTox_RID_79533; DSSTox_GSID_40674; Fluocinoloni acetonidum [INN-Latin]; Acetonida de fluocinolona; RS 1401AT; 6.alpha.-Fluorotriamcinolone acetonide; CAS-67-73-2; Retisert (TN); Fluocet (TN); Synalar (TN); Acetonide de fluocinolone [INN-French]; Acetonida de fluocinolona [INN-Spanish]; CCRIS 3250; HSDB 3083; 6.Alpha.,9-Difluoro; EINECS 200-668-5; NSC 92339; Dermatin; Oto-synalar; Fluzon [Steroid]; NCGC00021301-04; (6alpha,9alpha,11beta,16beta)-6,9-Difluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione; 6-alpha,9-alpha-Difluoro-16-alpha-hydroxyprednisolone 16,17-acetonide; Fluocinoloneacetonide; Flucinolone acetonide; fluocinolone-acetonide; 6alpha,9-Difluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione, cyclic 16,17-acetal with acetone; Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,21-dihydroxy-16,17-((1-methylethylidene)bis(oxy))-, (6alpha,11beta,16alpha)-; Pregna-1,4-diene-3,20-dione, 6alpha,9-difluoro-11beta,16alpha,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone; Fluocinolide (acetate); Fluocinolone acetonide intravitreal implant; acetonido de fluocinolona; 6.alpha.,17-acetonide; Opera_ID_1295; F0657; Fluocinolone acetonide [USAN:USP:INN:JAN]; CHEMBL989; SCHEMBL4795; Fluocinolone acetonide - BP; 6alpha,9alpha-Difluoro-11beta,16alpha,17alpha,21-tetrahydroxy-1,4-pregnadiene-3,20-dione 16,17-Acetonide; MLS001076276; GTPL7077; DTXSID0040674; HMS2090I14; HMS2230D13; HMS3259G12; HMS3715J11; HY-B0415; ZINC3977981; Tox21_110869; Tox21_302364; AC-429; AC1069; s2470; AKOS015963144; Tox21_110869_1; ACN-043362; CCG-221165; DB00591; NC00562; Fluocinolone acetonide (JP17/USP/INN); NCGC00021301-06; NCGC00255654-01; (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one; (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,12-difluoro-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one; 4b,12-Difluoro-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one; AS-13690; BF176452; NCI60_042042; Pregna-1,4-diene-3,20-dione, 6alpha,9-difluoro-11beta,16alpha,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone (8CI); Fluocinolone acetonide, analytical standard; D01825; J10113; AB00383017-10; AB00383017_11; 010F525; A853087; Q924467; SR-01000000109; SR-01000000109-2; W-104704; BRD-K94353609-001-21-6; difluoro-hydroxy-(2-hydroxyacetyl)-tetramethyl-[ ]one; 6.alpha., 9.alpha.-Difluoro-16.alpha.-hydroxyprednisolone 16,17-acetonide; Fluocinolone acetonide, European Pharmacopoeia (EP) Reference Standard; Fluocinolone acetonide, United States Pharmacopeia (USP) Reference Standard; Fluocinolone acetonide for system suitability, European Pharmacopoeia (EP) Reference Standard; Fluocinolone Acetonide, Pharmaceutical Secondary Standard; Certified Reference Material; WLN: T F5 E5 B666 GO IO RV AHTTTT&J A BF CQ E FVIQ H H OF -A&BHO -B&ACEF; (1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one; (2S,6aS,6bR,7S,8aS,8bS,11aR,12aS,12bS)-2,6b-difluoro-7-hydroxy-8b-(2-hydroxyacetyl)-6a,8a,10,10-tetramethyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4(2H)-one; (6a,11b,16a)-6,9-Difluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-pregna-1,4-diene-3,20-dione; (6alpha,11beta,16alpha)-6,9-Difluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione; 6.alpha.,16.alpha.,17,21-tetrahydroxypregna-1,4-diene-3,20-dione, cyclic 16,17-acetal with acetone; Fluocinolone acetonide for peak identification, European Pharmacopoeia (EP) Reference Standard; Pregna-1,20-dione, 6,9-difluoro-11,12-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6.alpha.,11.beta.,16.alpha.)-; Pregna-1,20-dione, 6,9-difluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)-, (6.alpha.,11.beta.,16.alpha.)-; Pregna-1,20-dione, 6,9-difluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6.alpha.,11.beta.,16.alpha.)-; Pregna-1,20-dione, 6.alpha.,9-difluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92339	.	.	.	.	452.5	C24H30F2O6	93.1	960	2.5	32	2	8	2	"InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1"	C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)F)O	FEBLZLNTKCEFIT-VSXGLTOVSA-N
DG50201	Benziodarone	6237	"BENZIODARONE; 68-90-6; Amplivix; Dilafurane; Cardivix; Dila-Vasal; Algocor; Corofam; Coronal-crinos; Retrangor; Benziodaron; Carofam; Dilacoron; L 2329; 2329 Labaz; NSC 82133; UNII-75CL65GTYR; 2-Ethyl-3-benzofuranyl 4-hydroxy-3,5-diiodophenyl ketone; 75CL65GTYR; 2-Ethyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)-cumarone; Benzofuran, 3-(3,5-diiodo-4-hydroxybenzoyl)-2-ethyl-; 3,5-Diiodo-4-hydroxyphenyl 2-ethyl-3-benzofuranyl ketone; CHEMBL232201; Corofam;Dilacoron;NSC 82133; Aethyl-2-(3',5'-dijod-4'-oxybenzoyl)-3 cumaron; NSC-82133; NCGC00160408-01; Plexocardio; Flanicone; Ketone, 3,5-diiodo-4-hydroxyphenyl 2-ethyl-3-benzofuranyl; Uricor; (2-ethylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)methanone; DSSTox_CID_26134; DSSTox_RID_81367; DSSTox_GSID_46134; Benziodarona; Benziodaronum; Benzoiodarone; Benziodaronum [INN-Latin]; CAS-68-90-6; Benziodarona [INN-Spanish]; EINECS 200-695-2; BRN 1257683; Amplivix (TN); Benziodarone [INN:BAN:DCF:JAN]; Ketone,5-diiodophenyl; Aethyl-2-(3',5'-dijod-4'-oxybenzoyl)-3 cumaron [German]; Methanone, (2-ethyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)-; Benziodarone (JAN/INN); Methanone,5-diiodophenyl)-; SCHEMBL308541; DTXSID1046134; Ketone, 2-ethyl-3-benzofuranyl 4-hydroxy-3,5-diiodophenyl; CHEBI:135814; NSC82133; ZINC3875456; Tox21_111793; (2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone; BDBM50209206; MFCD00868246; AKOS015994715; Tox21_111793_1; DB13277; KS-1133; NCGC00160408-02; NCGC00160408-03; NCGC00160408-06; FT-0662545; D01833; L-2329; T72830; Q4890775; 2-Ethylbenzofuranyl 4-hydroxy-3,5-diiodophenyl ketone; Ketone, 2-ethyl-3-benzofuranyl 4-hydroxy-3,5-diiodophenyl (8CI); (2-Ethyl-1-benzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)methanone #; Methanone, (2-ethyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82133	.	.	.	.	518.08	C17H12I2O3	50.4	405	5.6	22	1	3	3	"InChI=1S/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3"	CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I	CZCHIEJNWPNBDE-UHFFFAOYSA-N
DG50203	Terpin	6651	"TERPIN; p-Menthane-1,8-diol; trans-Terpin; 80-53-5; 565-48-0; 1,8-Terpin; cis-p-Menthan-1,8-diol; 4-p-Menthan-1,8-diol; 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol; NSC 403856; cis-1,8-p-Menthanediol; trans-p-Menthan-1,8-diol; 565-50-4; trans-p-Menthane-1,8-diol; UNII-4HW1S44T5G; UNII-MPF495B08R; cis-4-Hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol; 4HW1S44T5G; MPF495B08R; Cyclohexanemethanol, 4-hydroxy-.alpha.,.alpha.,4-trimethyl-; 4-(2-Hydroxypropan-2-yl)-1-methylcyclohexanol; NSC-403856; NCGC00159414-02; 4-(2-Hydroxy-2-propanyl)-1-methylcyclohexanol; Dipenteneglycol; Terpene; Terpin, trans-; Terpin (VAN); Terpin [BAN]; trans-1,8-Terpin; NSC-760418; Terpin trans-form [MI]; trans-1,8-p-Menthanediol; Terpinhydrat; cis-Terpin; EINECS 201-288-2; EINECS 209-279-5; p-Mentha-1,8-diol; DSSTox_CID_3643; cis-p-Menthane-1,8-diol; EC 201-288-2; DSSTox_RID_77125; DSSTox_GSID_23643; SCHEMBL19192; 4-Hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol; SCHEMBL5377815; SCHEMBL9536260; ZINC2137; CHEMBL1414114; CHEMBL1513871; CHEMBL1651998; Cyclohexanemethanol, 4-hydroxy-alpha,alpha,4-trimethyl-; DTXSID7023643; CHEBI:134806; CHEBI:179539; Pharmakon1600-01506188; Cyclohexanemethanol, 4-hydroxy-alpha,alpha,4-trimethyl-, trans-; HY-N4324; Tox21_111646; 5763AF; BBL034665; NSC403856; NSC760418; STL356461; AKOS022099020; AKOS024348939; AKOS037514988; ZINC100020220; ZINC100027745; MCULE-8009850852; CAS-80-53-5; Cyclohexanemethanol,.alpha.,4-trimethyl-; NCGC00159414-01; NCGC00159414-03; NCGC00159414-04; NCGC00159414-05; NCGC00159414-06; NCGC00166136-01; AS-83272; NCI60_003817; trans-Terpin, analytical standard, for GC; CS-0032749; T2344; AB01563167_01; 4-(1-Hydroxy-1-methylethyl)-1-methylcyclohexanol; cis-4-Hydroxy-; A,; A,4-trimethylcyclohexanemethanol; W-107311; 4-(1-Hydroxy-1-methylethyl)-1-methylcyclohexanol #; Q27259605; Q27284154"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403856	.	.	.	.	172.26	C10H20O2	40.5	155	1.2	12	2	2	1	"InChI=1S/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3"	CC1(CCC(CC1)C(C)(C)O)O	RBNWAMSGVWEHFP-UHFFFAOYSA-N
DG50204	"1,5-Diphenoxyanthraquinone"	6699	"1,5-Diphenoxyanthraquinone; 82-21-3; 1,5-diphenoxyanthracene-9,10-dione; 1,5-Difenoxyanthrachinon; 9,10-Anthracenedione, 1,5-diphenoxy-; MLS000738165; 1,5-Difenoxyanthrachinon [Czech]; EINECS 201-404-1; NSC 37627; BRN 2485288; ANTHRAQUINONE, 1,5-DIPHENOXY-; 9, 1,5-diphenoxy-; Anthraquinone,5-diphenoxy-; 3-08-00-03789 (Beilstein Handbook Reference); CHEMBL4296992; SCHEMBL10927218; NSC37627; ZINC3875548; MFCD00035826; NSC-37627; AKOS002347543; MCULE-6308605752; WLN: L C666 BV IVJ DOR& KOR; SMR000393924; DB-056582; FT-0631372; W-109293"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37627	.	.	.	.	392.4	C26H16O4	52.6	565	5.9	30	0	4	4	InChI=1S/C26H16O4/c27-25-20-14-8-16-22(30-18-11-5-2-6-12-18)24(20)26(28)19-13-7-15-21(23(19)25)29-17-9-3-1-4-10-17/h1-16H	C1=CC=C(C=C1)OC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)OC5=CC=CC=C5	GSNYYYXHQZHEFP-UHFFFAOYSA-N
DG50207	"9,10-Phenanthrenequinone"	6763	"Phenanthrene-9,10-dione; 9,10-Phenanthrenequinone; 84-11-7; Phenanthrenequinone; 9,10-PHENANTHRENEDIONE; 9,10-Phenanthraquinone; Phenanthraquinone; 9,10-Phenanthroquinone; UNII-42L7BZ8H74; Phenanthrene, 9,10-dihydro-9,10-dioxo-; MFCD00001163; phenanthrene-9,10-quinone; SMR000150826; CHEMBL51931; MLS000571180; MLS000881132; CHEBI:37454; 42L7BZ8H74; 9,10-dihydrophenanthrene-9,10-dione; WLN: L B666 HVVJ; Phenanthrene,10-dihydro-9,10-dioxo-; 9-10 Phenanthrene quinone; CCRIS 7615; HSDB 4489; SR-01000512656; EINECS 201-515-5; NSC 10446; BRN 0608838; phenanthrenchinon; AI3-23739; Phenanthroquinone; Phenanthrene chinone; 9,10-phenanthrquinone; Opera_ID_1159; Phenanthrene-9,10 dione; cid_6763; REGID_for_CID_6763; SCHEMBL43050; 4-07-00-02565 (Beilstein Handbook Reference); DTXSID3058901; 3-Pyrrolidin-2-yl-propionicacid; BDBM22857; NSC7389; 1,2-Dione-Based Compound, 14; 9,10-Phenanthrenequinone, 95%; HMS2231F24; KUC103886N; AMY37107; NSC-7389; NSC10446; ZINC1529614; 9,10-Phenanthrenequinone, >=99%; CX1139; KSC-1-127; NSC-10446; STK793149; AKOS000120609; CS-W015223; MCULE-9308842057; SB67051; NCGC00246089-01; AS-14257; BP-13416; K501; DB-005403; FT-0621602; P0080; P1136; 84P117; C03243; A840718; AF-936/31262009; Q-201551; SR-01000512656-1; SR-01000512656-4; W-104124; Q25103737; Z56943754; 9,10-Phenanthrenequinone, Vetec(TM) reagent grade, 94%; 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-N-[2-(2-thienyl)ethyl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7389	.	.	.	.	208.21	C14H8O2	34.1	289	2.5	16	0	2	0	InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H	C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O	YYVYAPXYZVYDHN-UHFFFAOYSA-N
DG50208	1-(2-Pyridylazo)-2-naphthol	6825	"1-(2-Pyridylazo)-2-naphthol; 85-85-8; 1-(Pyridin-2-yldiazenyl)naphthalen-2-ol; 2-Naphthalenol, 1-(2-pyridinylazo)-; PAN (indicator); 1-(2-Pyridylazo)-2-hydroxynaphthalene; UNII-095B53Y3XV; 2-Hydroxy-1-(2-pyridylazo)naphthalene; 2-Naphthol, 1-(2-pyridylazo)-; MFCD00004071; 1-(pyridin-2-yldiazenyl)-2-naphthol; MLS000540127; 095B53Y3XV; SMR000162402; 2-Naphthalenol, 1-(2-(2-pyridinyl)diazenyl)-; 2-Naphthalenol, 1-[2-(2-pyridinyl)diazenyl]-; PAN (VAN); 1-(Pyridin-2-azo)-2-naphthol; NSC 5332; EINECS 201-637-9; 1.2-Pyridylazo-2-naphthol; SCHEMBL272188; (1Z)-1-(pyridin-2-ylhydrazinylidene)naphthalen-2-one; SCHEMBL4947540; CHEMBL1400298; DTXSID5058933; SCHEMBL11882710; SCHEMBL11882717; BDBM48080; cid_5359275; RAXUMGMWXZYADR-SDXDJHTJSA-; NSC5332; HMS2310J23; NSC-5332; CCG-49495; STL453606; AKOS004901457; AKOS028109811; ZINC100021845; ZINC100030401; ZINC106121651; ZINC242548449; MCULE-5810924848; NCGC00247231-01; AS-59143; 2-Naphthol, 1-(2-pyridylazo)- (8CI); DB-018463; 1-[(E)-2-Pyridinyldiazenyl]-2-naphthol #; CS-0010135; X6820; (1E)-1-(2-pyridylhydrazono)naphthalen-2-one; (1Z)-1-(2-pyridylhydrazono)naphthalen-2-one; (E)-1-(pyridin-2-yldiazenyl)naphthalen-2-ol; 1-(2-Pyridylazo)-2-naphthol, indicator grade; 1-[(E)-pyridin-2-yldiazenyl]naphthalen-2-ol; D88559; A841465; AN-652/40913915; Q3596751; SR-01000638946-1; W-104075; (1Z)-1-(2-pyridinylhydrazinylidene)-2-naphthalenone; 1-[(1E)-2-(pyridin-2-yl)diazen-1-yl]naphthalen-2-ol; 1-(2-Pyridylazo)-2-naphthol, for spectrophotometric det. of metal ions, >=97.0%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5332	.	.	.	.	249.27	C15H11N3O	57.8	321	3.9	19	1	4	2	"InChI=1S/C15H11N3O/c19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14/h1-10,19H"	C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC=N3)O	LLYOXZQVOKALCD-UHFFFAOYSA-N
DG50209	"3,6-Diamino-10-methylacridinium chloride"	6842	"3,6-DIAMINO-10-METHYLACRIDINIUM CHLORIDE; 86-40-8; Chromoflavine; Flavosan; Gonacrine; Gonocrin; Panflavin; Trypaflavin; Burnol; Avlon; ACRIFLAVINIUM HYDROCHLORIDE; Neutroflavine; Xanthacridine; Acriflavon; Flavine; C.I. 46000; UNII-1TW3Q60E36; Acriflavinium (chloride); 10-methylacridin-10-ium-3,6-diamine;chloride; 3,6-diamino-10-methylacridin-10-ium chloride; CHEBI:383703; 1TW3Q60E36; Acridinium, 3,6-diamino-10-methyl-, chloride (1:1); Acriflavine (component of); NSC2755; Acridinium,6-diamino-10-methyl-, chloride; CCRIS 2116; WLN: T C666 BKJ B1 EZ MZ &Q &G; SR-05000002063; NSC 2755; EINECS 201-668-8; Acridinium, 3,6-diamino-10-methyl-, chloride; SCHEMBL77746; MLS002207308; SPECTRUM1500618; CHEMBL354349; HMS500M06; DTXSID60273975; HMS1921K15; HMS2092E08; Pharmakon1600-01500618; NSC-2755; NSC47700; CCG-39873; NSC-47700; NSC757387; AKOS023249367; DB13326; NSC-757387; NCGC00094813-02; 8018-07-3; SMR001306813; FT-0621869; Q225854; SR-05000002063-1; SR-05000002063-2; UNII-1T3A50395T component KKAJSJJFBSOMGS-UHFFFAOYSA-N"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757387	.	.	.	.	259.73	C14H14ClN3	55.9	255	.	18	2	3	0	"InChI=1S/C14H13N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;/h2-8H,1H3,(H3,15,16);1H"	C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.[Cl-]	KKAJSJJFBSOMGS-UHFFFAOYSA-N
DG50210	Thiolutin	6870	"Thiolutin; 87-11-6; Acetopyrrothin; Acetopyrrothine; UNII-02C005Q20B; NSC3927; N-(4,5-dihydro-4-methyl-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)acetamide; Acetamide,N-(4,5-dihydro-4-methyl-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)-; 02C005Q20B; N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)acetamide; 6-Acetamido-4-methyl-1,2-dithiolo(4,3-b)pyrrol-5(4H)-one; N-{4-methyl-5-oxo-4H,5H-[1,2]dithiolo[4,3-b]pyrrol-6-yl}acetamide; N-(4,5-Dihydro-4-methyl-5-oxo-1,2-dithiolo(4,3-b)pyrrol-6-yl)acetamide; N-(4-methyl-5-oxo-4,5-dihydro-[1,2]dithiolo[4,3-b]pyrrol-6-yl)acetamide; 6-Acetamido-4-methyl-1,2-dithiolo[4,3-b]pyrrol-5(4H)-one; N-(4-methyl-5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)acetamide; NSC 3927; BRN 0209485; Farcinicin; Farcinicine; Propiopyvothine; N-Acetylpyrrothine; 3-Acetamido-5-methylpyrrolin-4-one(4,3-d)-1,2-dithiole; 6-(Acetylamino)-4-methyl-1,2-dithiolo(4,3-b)pyrrol-5(4H)-one; 1,2-DITHIOLO(4.3-b)PYRROL-5(4H)-ONE, 6-ACETAMIDO-4-METHYL-; 1, 6-acetamido-4-methyl-; CHEMBL507026; SCHEMBL1718756; DTXSID0040624; CHEBI:156450; BCP17046; HY-N6712; NSC-3927; MFCD07370147; AKOS024456672; WLN: T55 BNV FSSJ B1 DMV1; NCGC00162456-01; AS-72926; NCI60_003708; Farcinicin; Propiopyvothine; Acetopyrrothine; CS-0029085; FT-0675180; 6-Acetamido-4-methyl-1,3-b]pyrrol-5[4H]-one; N-(4,2-dithiolo[4,3-b]pyrrol-6-yl)acetamide; 3-Acetamido-5-methylpyrrolin-4-one[4,2-dithiole; Q7784674; W-203989; 6-(Acetylamino)-4-methyl-1,3-b]pyrrol-5[4H]-one; N-(4-methyl-5-oxo-dithiolo[4,3-b]pyrrol-6-yl)acetamide; N-(4,5-Dihydro-4-methyl-5-oxo-1,2-dithiolo[4,3-B]Pyrrol-6-yl); Acetamide,5-dihydro-4-methyl-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)-; Acetamide, N-(4,5-dihydro-4-methyl-5-oxo-1,2-dithiolo(4,3-b)pyrrol-6-yl)-; Acetamide, N-(4,5-dihydro-4-methyl-5-oxo-1,2-dithiolo(4,3-b)pyrrol-6-yl)- (8CI)(9CI); N-(4-methyl-3-oxo-7,8-dithia-4-azabicyclo[3.3.0]octa-1,5-dien-2-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3927	.	.	.	.	228.3	C8H8N2O2S2	100	387	-0.6	14	1	4	1	"InChI=1S/C8H8N2O2S2/c1-4(11)9-6-7-5(3-13-14-7)10(2)8(6)12/h3H,1-2H3,(H,9,11)"	CC(=O)NC1=C2C(=CSS2)N(C1=O)C	MHMRAFONCSQAIA-UHFFFAOYSA-N
DG50211	"Carbamodithioic acid, dimethyl-, 2,4-dinitrophenyl ester"	6967	"89-37-2; USAF SN-31; 2,4-Dinitrophenyl dimethyldithiocarbamate; Carbamodithioic acid, dimethyl-, 2,4-dinitrophenyl ester; 2,4-Dinitrophenyl-dimethyl-dithiocarbamate; UNII-YSU5XGX97F; YSU5XGX97F; Carbamodithioic acid, N,N-dimethyl-, 2,4-dinitrophenyl ester; EINECS 201-902-9; NSC 11461; BRN 2475355; AI3-28653; (2,4-dinitrophenyl) N,N-dimethylcarbamodithioate; Dimethyldithiocarbamic acid, 2,4-dinitrophenyl ester; DTXSID0058986; SCHEMBL11760073; WLN: WNR CNW DSYUS&N1&1; CARBAMIC ACID, DIMETHYLDITHIO-, 2,4-DINITROPHENYL ESTER; NSC11461; ZINC1718308; NSC-11461; AKOS024383899; MCULE-5566269622; 2,4-Dinitrophenyl-dimethyldithio-carbamate; DS-003608; Carbamodithioic acid, 2,4-dinitrophenyl ester; Dimethyldithiocarbamic acid 2,4-dinitrophenyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11461	.	.	.	.	287.3	C9H9N3O4S2	152	353	2.5	18	0	6	2	"InChI=1S/C9H9N3O4S2/c1-10(2)9(17)18-8-4-3-6(11(13)14)5-7(8)12(15)16/h3-5H,1-2H3"	CN(C)C(=S)SC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]	AIWZJEMZVHJAQB-UHFFFAOYSA-N
DG50212	Tolonium chloride	7083	"Toluidine Blue; Toluidine Blue O; 92-31-9; TOLONIUM CHLORIDE; Basic Blue 17; Blutene chloride; Tolazul; C.I. Basic Blue 17; Gabilin; Menodin; Toluidine Blue OO; Klot; Toloni chloridum; Dimethyltoluthionine chloride; F Klot; Blutene; Toluidene Blue O Chloride; Toluidinblau; Schultz 1041; Schultz no. 1041; Tolonii chloridum; Cloruro de tolonio; Chlorure de tolonium; C.I. 52040; C.I. 925; Toluidine Blue (phenothiazine dye); UNII-15XUH0X66N; Phenothiazin-5-ium, 3-amino-7-(dimethylamino)-2-methyl-, chloride; 3-Amino-7-(dimethylamino)-2-(methylphenazathionium) chloride; TOLUIDINE BLUE  FOR MICROSCOPY; 15XUH0X66N; 3-amino-7-(dimethylamino)-2-methylphenothiazin-5-ium chloride; CHEBI:87647; NSC-11225; NSC-36758; (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium;chloride; DSSTox_CID_28654; DSSTox_RID_82924; DSSTox_GSID_48728; Toluidinblau [German]; MLS000738130; Tolonium chloride [INN]; Modr Toluidinova; Modr Toluidinova [Czech]; Phenothiazin-5-ium, 3-amino-7-(dimethylamino)-2-methyl-, chloride (1:1); CAS-92-31-9; Phenothiazin-5-ium, 3-amino-7-(dimethylamino)-2-methyl-, chloride (1:1), homopolymer; Modr Zasadita 17 [Czech]; 150905-12-7; Modr Zasadita 17; NSC11225; CCRIS 4933; Tolonii chloridum [INN-Latin]; Cloruro de tolonio [INN-Spanish]; Chlorure de tolonium [INN-French]; Dimethyltoluthionine chloride (VAN); NCGC00181775-01; EINECS 202-146-2; NSC 11225; ci 52040; Toluidine Blue 00; MFCD00011934; Phenazathionium, 3-amino-7-(dimethylamino)-2-methyl-, chloride; Toluidine Blue O, 80%; Toluidine Blue O, 85%; n-(7-amino-8-methyl-3h-phenothiazin-3-ylidene)-n-methylmethanaminium chloride; 3-Amino-7-dimethylamino-2-methylphenazathionium; C.I.BASIC BLUE 17; SCHEMBL122592; SCHEMBL338335; Toluidine Blue O, certificated; CHEMBL562639; CHEMBL1790006; DTXSID9048728; Toluidine Blue, phenothiazine dye; HMS1545F05; HMS2752P23; HMS3264B13; Pharmakon1600-01506191; Toluidine Blue O, Technical grade; HY-D0220; NSC36758; Toluidine Blue (C.I. 50240); Tox21_113159; NSC760421; AKOS015916405; AKOS024282653; Tox21_113159_1; CCG-213755; MCULE-6445743179; NSC-760421; NCGC00181775-02; CS-0010132; FT-0690009; FT-0724562; T0571; X6800; D92363; E79432; Q80868; T-3922; SR-01000760899; WLN: T C666 BN ISJ E1 FZ LN1&1 &G; SR-01000760899-2; Toluidine Blue O, certified by the Biological Stain Commission"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11225	.	.	.	.	305.8	C15H16ClN3S	66.7	512	.	20	1	4	0	"InChI=1S/C15H15N3S.ClH/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13;/h4-8,16H,1-3H3;1H"	CC1=CC2=C(C=C1N)SC3=CC(=[N+](C)C)C=CC3=N2.[Cl-]	GEDVVYWLPUPJJZ-UHFFFAOYSA-N
DG50213	Lauryl isoquinolinium bromide	7132	"Lauryl isoquinolinium bromide; 2-Dodecylisoquinolinium bromide; 93-23-2; Isothan; Intexsan LQ75; Isothan Q-15; Isothan Q-75; Isothan Q-90; Laurylisoquinolinium bromide; Dodecyl isoquinolinium bromide; N-Laurylisoquinolinium bromide; n-Dodecylisoquinolinium bromide; ISOQUINOLINIUM, 2-DODECYL-, BROMIDE; UNII-09TM5K0O34; 2-dodecylisoquinolin-2-ium;bromide; Lauryl isoquinolinium bromide [USAN]; 09TM5K0O34; Isothan Q 15; NSC-20909; Isoquinolinium, 2-dodecyl-, bromide (1:1); Caswell No. 520; WLN: T66 CKJ C12 &E; Lauryl isoquinolinium bromide (USAN); 2-Laurylisoquinolinium bromide; EINECS 202-230-9; NSC 20909; EPA Pesticide Chemical Code 069130; Decelerine; SCHEMBL324418; SCHEMBL8943709; CHEMBL2107266; DTXSID5042087; NSC20909; MFCD00050336; NSC403730; NSC-403730; D04679; N11757; Q27236502"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	20909	.	.	.	.	378.4	C21H32BrN	3.9	263	.	23	0	1	11	"InChI=1S/C21H32N.BrH/c1-2-3-4-5-6-7-8-9-10-13-17-22-18-16-20-14-11-12-15-21(20)19-22;/h11-12,14-16,18-19H,2-10,13,17H2,1H3;1H/q+1;/p-1"	CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-]	MSJLMQTXVKCUCD-UHFFFAOYSA-M
DG50214	4-(2-Naphthylamino)phenol	7141	"93-45-8; 4-(naphthalen-2-ylamino)phenol; 4-(2-NAPHTHYLAMINO)PHENOL; p-Oxinozon; Phenol, 4-(2-naphthalenylamino)-; p-(2-Naphthylamino)phenol; p-Hydroxyneozon; p-Oxyneozone; p-Hydroxyneozone; N-(4-Hydroxyphenyl)-2-naphthylamine; p-Hydroxyphenyl-2-naphthylamine; 2-(4'-Hydroxyphenylamino)-Naphthalene; 4-(2-Naphthalenylamino)phenol; Phenol, p-(2-naphthylamino)-; 4-(2-Naftylamino)fenol; NSC 15372; UNII-391R4KT1XJ; MLS002638427; 391R4KT1XJ; p-(.beta.-Naphthylamino)phenol; 4-Hydroxyphenyl-.beta.-naphthylamine; N-(p-Hydroxyphenyl)-2-naphthylamine; p-Hydroxyphenyl-.beta.-naphthylamine; N-(p-Hydroxyphenyl)-.beta.-naphthylamine; N-(4-HYDROXYPHENYL)-2-NAPHTHYLAMINE, 97; WLN: L66J CMR DQ; p-(beta-Naphthylamino)phenol; CCRIS 6073; p-Hydroxyphenyl-beta-naphthylamine; 4-(2-Naftylamino)fenol [Czech]; N-p-Hydroxyphenyl-2-naphthylamine; 4-Hydroxyphenyl-beta-naphthylamine; N-p-Hydroxyphenyl-beta-naphthylamine; EINECS 202-248-7; BRN 1642793; NSC21065; p-(2-naphthylamino) phenol; 3-13-00-01031 (Beilstein Handbook Reference); BIDD:GT0834; SCHEMBL593005; CHEMBL1699265; DTXSID8025701; Phenol, 4-(2-naphthylamino)-; ZINC18550; HMS3089F24; 4-[(naphthalen-2-yl)amino]phenol; NSC15372; NSC-15372; NSC-21065; AKOS021984255; LS40523; AS-61152; SMR001547908; DB-057402; CS-0330231; FT-0631466; A844599; W-109346; Q27890213"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15372	.	.	.	.	235.28	C16H13NO	32.299	260	4.2	18	2	2	2	"InChI=1S/C16H13NO/c18-16-9-7-14(8-10-16)17-15-6-5-12-3-1-2-4-13(12)11-15/h1-11,17-18H"	C1=CC=C2C=C(C=CC2=C1)NC3=CC=C(C=C3)O	RACMGQBQYYWANW-UHFFFAOYSA-N
DG50215	Sulfiram	7215	"SULFIRAM; Monosulfiram; Sulfirame; 95-05-6; Sulfiramum; Tetmosol; Tetrucid; Sanigal; Kutka; Tetmos; Sarcocide B; TTMS; Tetraethyl thiuram monosulfide; Thiuram monosulfide, tetraethyl-; Sulfide, bis(diethylthiocarbamoyl); UNII-1XHL4Q8P7Y; Bis(N,N-diethylthiocarbamoyl) sulfide; Carbamic anhydride, tetraethyltrithio-; Thiodicarbonic diamide ([(H2N)C(S)]2S), tetraethyl-; diethylcarbamothioyl N,N-diethylcarbamodithioate; NSC-36731; 1XHL4Q8P7Y; Sulfide, bis((diethylamino)thioxomethyl); Thiodicarbonic diamide (((H2N)C(S))2S), tetraethyl-; Sulfiramum [INN-Latin]; Tetraethylthiuram-monosulfid; Sulfide, bis[(diethylamino)thioxomethyl]; NSC 36731; Sulfiram [INN:BAN]; EINECS 202-387-3; Tetraethylthiuram monosulfide; BRN 1789060; AI3-00996; Carbamic acid, diethyldithio-, anhydrosulfide; Formamide, 1,1'-thiobis(N,N'-diethylthio-; Carbamodithioic acid, diethyl-, anhydrosulfide; Methanethioamide, 1,1'-thiobis(N,N-diethyl-; Sulfiram (INN); Tetmosol (TN); Thiodicarbonic diamide, tetraethyl-; 4-04-00-00397 (Beilstein Handbook Reference); SCHEMBL160769; Bis(diethylthiocarbamyl) sulfide; CHEMBL2004297; DTXSID5058222; CHEBI:135093; NSC36731; ZINC1669508; BDBM50555840; WLN: 2N2&YUS&SYUS&N2&2; Formamide,1'-thiobis[N,N-diethylthio-; Formamide,1'-thiobis(N,N'-diethylthio-; Methanethioamide,1'-thiobis[N,N-diethyl-; NCI60_003379; HY-121817; CS-0083488; FT-0674772; D08545; Q7636201; N,N-diethyl[(diethylcarbamothioyl)sulfanyl]carbothioamide; Thiodicarbonic diamide (((H2N)C(S))2S), tetraethyl- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36731	.	.	.	.	264.5	C10H20N2S3	96	189	3.1	15	0	3	6	"InChI=1S/C10H20N2S3/c1-5-11(6-2)9(13)15-10(14)12(7-3)8-4/h5-8H2,1-4H3"	CCN(CC)C(=S)SC(=S)N(CC)CC	CTPKSRZFJSJGML-UHFFFAOYSA-N
DG50216	Methylhydroquinone	7253	"Methylhydroquinone; 2-Methylhydroquinone; 95-71-6; 2-methylbenzene-1,4-diol; 2,5-Dihydroxytoluene; Toluhydroquinone; p-Toluhydroquinone; Toluquinol; p-Toluquinol; Tolylhydroquinone; p-Toluhydroquinol; 2,5-Toluenediol; 1,4-Benzenediol, 2-methyl-; Methyl-p-hydroquinone; 1,4-Dihydroxy-2-methylbenzene; 2-Methyl-1,4-benzenediol; METHYL HYDROQUINONE; Hydroquinone, methyl-; Hydroquinone, tolyl-; Pyrolin; 2-Methyl-1,4-hydroquinone; NSC 4962; UNII-332W51E0OC; MFCD00002345; NSC4962; 332W51E0OC; EINECS 202-443-7; BRN 2041489; 2-Methyl-benzene-1,4-diol; methylhydroquinon; 3-methyl-1,4-dihydroxybenzene; AI3-14932; 2-methylhydroquinol; methyl-p-hydroquinol; monomethylhydroquinone; 2-methyl hydroquinone; 2-Methyl-hydroquinone; monomethyl hydroquinone; 2-Methyl-p-hydroquinone; DSSTox_CID_876; Methylhydroquinone, 99%; 3-methyl-4-hydroxyphenol; 4-hydroxy-2-methylphenol; EC 202-443-7; 2-Methylbenzene-1,4-diole; DSSTox_RID_75840; Methylhydroquinone, >=99%; WLN: L6V DVJ X1; DSSTox_GSID_20876; SCHEMBL36349; 2,5-Dihydroxytoluene polymer; 2,5-DHTOP; 4-06-00-05866 (Beilstein Handbook Reference); 2-methyl-1,4-dihydroxybenzene; CHEMBL450917; WLN: L6V DVJ XR X1; 3-metyl-1,4-dihydroxy benzene; DTXSID4020876; 2-methyl-1,4-dihydroxy benzene; CHEBI:133842; BDBM176768; ZINC388086; NSC-4962; Tox21_200506; AKOS015856210; AC-4660; MCULE-7035325950; CAS-95-71-6; NCGC00248664-01; NCGC00258060-01; AS-15442; CAS# 95-71-6; P353; FT-0613052; M0342; Methylhydroquinone, purum, >=98.0% (HPLC); US9688816, 8; Q1925586; W-109360; F0001-2277; N-a-Fmoc-N- -allyloxycarbonyl-L-2,3-diaminopropionicacid; 7DV"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4962	.	.	.	.	124.14	C7H8O2	40.5	92.9	1	9	2	2	0	"InChI=1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3"	CC1=C(C=CC(=C1)O)O	CNHDIAIOKMXOLK-UHFFFAOYSA-N
DG50217	Fenticlor	7329	"Fenticlor; 97-24-5; 2,2'-THIOBIS(4-CHLOROPHENOL); Bis(2-hydroxy-5-chlorophenyl) sulfide; Fentichlor; Novex; Phentichlorum; Meflorin; Ovitrol; Bis(2-hydroxy-5-chlorophenyl)sulfide; Oksid; Fenticloro; Fenticlorum; D 25-Antimykotikum; Phenol, 2,2'-thiobis[4-chloro-; S 7 (antimycotic); 2,2'-Dihydroxy-5,5'-dichlorodiphenyl sulfide; 2,2'-Dihydroxy-5,5'-dichlorophenyl sulfide; Ph 549; 5,5'-Dichloro-2,2'-dihydroxydiphenyl sulfide; CR 305; 2,2'-sulfanediylbis(4-chlorophenol); HL 1050; D 25; 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol; NSC55636; NSC 55636; 2,2'-Thiobis4-chlorophenol; UNII-D61659OVD0; CHEBI:556580; Phenol, 2,2'-thiobis(4-chloro-; NSC-4112; NSC-55636; S 7; MLS002415676; 2,2'-Thiobis[4-chlorophenol]; D61659OVD0; component of Banish; NCGC00013679-02; SMR000145265; DSSTox_CID_6137; DSSTox_RID_78031; 2,5'-dichlorophenyl sulfide; DSSTox_GSID_26137; 2,5'-dichlorodiphenyl sulfide; 4-chloro-2-[(5-chloro-2-hydroxyphenyl)thio]phenol; Phenol,2'-thiobis[4-chloro-; WLN: QR DG BSR BQ EG; 5,2'-dihydroxydiphenyl sulfide; Fentichlor; Fenticlor; HL 1050; Meflorin; NSC 4112; Caswell No. 851; Fenticlorum [INN-Latin]; Fenticloro [INN-Spanish]; CAS-97-24-5; Fenticlor [USAN:INN:BAN]; CCRIS 4731; S 7 (VAN); D 25 (VAN); NSC 4112; EINECS 202-568-7; EPA Pesticide Chemical Code 064209; BRN 2057140; AI3-08456; S-7; Fenticlor (USAN/INN); Epitope ID:131793; cid_7329; NCIStruc1_000386; NCIStruc2_000549; TimTec1_002292; 4-chloro-2-(5-chloro-2-hydroxyphenylthio)phenol; Oprea1_024834; Oprea1_589846; SCHEMBL23276; 4-06-00-05645 (Beilstein Handbook Reference); CHEMBL473535; 4-chloro-2-(5-chloro-2-hydroxy-phenyl)sulfanyl-phenol; component of Banish (Salt/Mix); DTXSID4026137; ANUSOIHIIPAHJV-UHFFFAOYSA-; BDBM80984; NSC4112; HMS1540I04; KUC106499N; ZINC136146; 4,4'-dichloro-2,2'-thiodiphenol; ALBB-012859; NCI55636; Tox21_110031; Tox21_200961; BBL003411; CCG-37773; MFCD00031479; NCGC00013679; STK048543; AKOS000491331; Tox21_110031_1; Bis(5-chloro-2-hydroxyphenyl) Sulfide; KSC-19-058; MCULE-9101515986; bis-(2-hydroxy-5-chlorophenyl) sulfide; NCGC00013679-03; NCGC00013679-04; NCGC00013679-06; NCGC00091879-01; NCGC00091879-02; NCGC00258514-01; AS-13478; I412; NCI60_004363; DB-022656; B0850; FT-0683643; D04164; D88702; SR-01000878241; Q5443595; SR-01000878241-2; W-100113; 4-chloro-2-[(5-chloro-2-hydroxy-phenyl)thio]phenol; BRD-K19439093-001-01-0; 4-chloranyl-2-(5-chloranyl-2-oxidanyl-phenyl)sulfanyl-phenol; N-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-FLUORO-BENZENESULFONAMIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4112	.	.	.	.	287.2	C12H8Cl2O2S	65.8	231	4.5	17	2	3	2	"InChI=1S/C12H8Cl2O2S/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16/h1-6,15-16H"	C1=CC(=C(C=C1Cl)SC2=C(C=CC(=C2)Cl)O)O	ANUSOIHIIPAHJV-UHFFFAOYSA-N
DG50218	o-Aminoazotoluene	7340	"o-Aminoazotoluene; 97-56-3; Fast Garnet GBC Base; Solvent Yellow 3; C.I. Solvent Yellow 3; o-Aminoazotoluol; Toluazotoluidine; 2-AMINO-5-AZOTOLUENE; Fast Oil Yellow; Somalia Yellow R; Fast Yellow AT; Fat Yellow B; Oil Yellow C; Oil Yellow I; Oil Yellow AT; Hidaco Oil Yellow; Sudan Yellow RRA; Oil Yellow 2R; Waxakol Yellow NL; Aminoazotoluene; Organol Yellow 2T; Oil Yellow 21; ortho-Aminoazotoluene; OAAT; o-Amidoazotoluol; o-Aminoazotolueno; Oil Yellow 2681; 2-Aminoazotoluene; Benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-; o-Tolueneazo-o-toluidine; Tulabase Fast Garnet GB; O-AT; Brasilazina Oil Yellow R; Tulabase Fast Garnet GBC; 4-Amino-2',3-dimethylazobenzene; 4-(o-Tolylazo)-o-toluidine; o-Toluol-azo-o-toluidin; 5-(o-Tolylazo)-2-aminotoluene; o-Toluidine, 4-(o-tolylazo)-; 2',3-Dimethyl-4-aminoazobenzene; 4'-Amino-2,3'-dimethylazobenzene; Zlut rozpoustedlova 3; 4'-Amino-2:3'-azotoluene; C.I. 11160B; UNII-QHZ900P7ZA; C.I. 11160; Oil Yellow T; 2-methyl-4-[(2-methylphenyl)diazenyl]aniline; 4'-Amino-2,3'-azotoluene; o-Toluidine, 4-o-tolylazo-; o-Aato-amidoazotoluol; 2-Methyl-4-[(E)-(2-methylphenyl)diazenyl]aniline; NSC-1797; 2-Methyl-4-((o-tolyl)azo)aniline; EINECS 202-591-2; NSC-26821; Benzenamine, 2-methyl-4-((2-methylphenyl)azo)-; QHZ900P7ZA; MLS000738066; Oil Yellow; 2-Methyl-4-((2-methylphenyl)azo)benzenamine; CHEBI:82285; 4-Amino-3,2'-dimethylazobenzene; 2-Methyl-4-[(o-tolyl)azo]aniline; MFCD00007733; (E)-2-methyl-4-(o-tolyldiazenyl)aniline; DSSTox_CID_69; Aminoazotoluene(indicator); 2-methyl-4-[(2-methylphenyl)azo]benzenamine; Orthoaminoasotoluol; DSSTox_RID_75346; 4-o-Tolylazo-o-toluidine; DSSTox_GSID_20069; Orthoaminoasotoluene; 61550-68-3; Azoic diazo component 4, base; WLN: ZR B1 DNUNR B1; Benzenamine, 2-methyl-4-[2-(2-methylphenyl)diazenyl]-; CI Solvent Yellow 3; o-Amidoazotoluol [German]; Aminoazotoluene (indicator); CAS-97-56-3; CCRIS 25; o-Aminoazotolueno [Spanish]; AAT; SMR000393738; Zlut rozpoustedlova 3 [Czech]; 2-Methyl-4((2-methylphenyl)azo)benzenamine; 2-Methyl-4[(2-methylphenyl)azo]benzenamine; ortho-Tolueneazo-ortho-toluidine; HSDB 2639; o-Toluol-azo-o-toluidin [German]; o-Aminoazotoluene [MI]; NSC 1797; CI 11160B; o-Toluene-azo-o-toluidine; Benzenamine, 2-methyl-4-(2-(2-methylphenyl)diazenyl)-; BRN 0745567; CI 11160; o-Aminoazotoluene [WHO-DD]; ortho-Toluol-azo-ortho-toluidin [German]; AI3-52505; ortho-Toluol-azo-ortho-toluidin; 4-Aminoazotoluene; Orthoaminoazotoluene; 2,3'-Dimethyl-4'-aminoazobenzene; Echtgranat-GBC-base; 2-Methyl-4-((2-methylphenyl)diazenyl)amine; 4-16-00-00528 (Beilstein Handbook Reference); MLS002152915; CHEMBL83552; SCHEMBL411206; Fast Garnet GBC Base solution; Fast Garnet GBC base, 97%; Benzenamine, 2-methyl-4-((2-methylphenyl)azo)-, (E)-; CHEMBL1701225; DTXSID1020069; SCHEMBL13338328; 4-amino-2',3-dimethylazobenzol; NSC1797; C.I. Solvent Yellow 3 (8CI); HMS2753N05; 2-Methyl-4-o-tolylazo-phenylamine; NSC26821; ZINC3860960; EINECS 255-448-1; Tox21_202261; Tox21_300300; ZINC12359990; o-Aminoazotoluene, analytical standard; 2-methyl-4-[(E)-o-tolylazo]aniline; AKOS000276997; AKOS028108451; ZINC100075200; MCULE-9505754571; NCGC00091180-01; NCGC00091180-02; NCGC00091180-03; NCGC00091180-04; NCGC00091180-05; NCGC00091180-06; NCGC00253994-01; NCGC00259810-01; NCI60_001507; T854; DB-057676; FT-0626389; T0261; 2(Or 3)-methyl-4-((methylphenyl)azo)aniline; C19188; 2-Methyl-4-[(2-methylphenyl)diazenyl]aniline #; Benzenamine, ar-methyl-4-(2-(methylphenyl)diazenyl)-; Q15726118; Q27155855; 4-Amino-2',3-dimethylazobenzene 100 microg/mL in Cyclohexane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1797	.	.	.	.	225.29	C14H15N3	50.7	264	3.7	17	1	3	2	"InChI=1S/C14H15N3/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3"	CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C	PFRYFZZSECNQOL-UHFFFAOYSA-N
DG50219	"4,4'-Dithiodimorpholine"	7648	"4,4'-DITHIODIMORPHOLINE; 103-34-4; Morpholine, 4,4'-dithiobis-; Sulfasan; 4,4-Dithiodimorpholine; Sulfasan R; Accel R; 4,4'-Dithiomorpholine; Morpholine disulfide; Morpholino disulfide; Dimorpholine disulfide; Dimorpholino disulfide; Bismorpholino disulfide; Deovulc M; Sanfel R; Dithiobismorpholine; Morpholinodisulfide; Vanax A; Disulfide, dimorpholino-; Usaf ek-t-6645; Usaf B-17; 4,4'-Dithiobismorpholine; N,N'-Dimorpholine Disulfide; N,N-Dithiodimorpholine; 4,4'-Dithiobis(morpholine); N,N'-Bismorpholine disulfide; Di(morpholin-4-yl) disulphide; Dimorpholine N,N'-disulfide; Morpholine, 4,4'-dithiodi-; N,N'-Dithiodimorfolin; DITHIODIMORPHOLINE; 4-(morpholin-4-yldisulfanyl)morpholine; NSC 65239; UNII-M786P489YF; Dithiobis(morpholine); N,N'-Dithiodimorpholine; M786P489YF; NSC65239; Vulnoc; DSSTox_CID_6698; DSSTox_RID_78187; DSSTox_GSID_26698; 4-(4-Morpholinyldisulfanyl)morpholine; CAS-103-34-4; Morpholine, N,N'-disulfide-; CCRIS 8923; N,N'-Dithiodimorfolin [Czech]; HSDB 5351; EINECS 203-103-0; 4,4/'-Dithiodimorpholine; N,N'-dithio-bis-morpholine; BRN 0126214; AI3-08625; Sulfazan R; 4-(morpholinodisulfanyl)morpholine; Dimorpholinodisulfide; Naugex SD-1; Akrochem accelerator R; Morpholine,4'-dithiodi-; 1,2-dimorpholinodisulfane; Morpholine,4'-dithiobis-; 4,4'-dithio-dimorpholine; N,N'-disulfide-Morpholine; 4,4\\'-Dithiodimorpholine; EC 203-103-0; Bis(4-morpholinyl)disulfide; Morpholine, N,N'-disulfide; N,N'-Dithiobis(morpholine); NCIOpen2_003134; 4-27-00-00613 (Beilstein Handbook Reference); 4,4'-Dimorpholine disulphide; SCHEMBL137538; 4,4'-disulfanediyldimorpholine; CHEMBL582932; DTXSID8026698; HLBZWYXLQJQBKU-UHFFFAOYSA-; ZINC500706; 4-morpholin-4-yldisulfanylmorpholine; Tox21_201775; Tox21_303110; BDBM50414924; MFCD00023319; NSC-65239; STL326287; AKOS015897388; WLN: T6N DOTJ ASS-AT6N DOTJ; MCULE-8735596685; 4-(4-Morpholinyldisulfanyl)morpholine #; NCGC00249116-01; NCGC00257082-01; NCGC00259324-01; AS-57709; I607; CS-0196466; D0282; FT-0657982; E78171; Q27283591"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	65239	.	.	.	.	236.4	C8H16N2O2S2	75.5	143	0.6	14	0	6	3	InChI=1S/C8H16N2O2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H2	C1COCCN1SSN2CCOCC2	HLBZWYXLQJQBKU-UHFFFAOYSA-N
DG50220	1-Dodecylpyridinium chloride	7717	"1-Dodecylpyridinium chloride; 104-74-5; DODECYLPYRIDINIUM CHLORIDE; Laurylpyridinium chloride; Eltren; Dehyquart C; Quaternario LPC; 1-Laurylpyridinium chloride; N-Dodecylpyridinium chloride; 1-dodecylpyridin-1-ium chloride; N-Laurylpyridinium chloride; UNII-KJM5A6A3YL; Dodecyl pyridinium chloride; 1-dodecylpyridin-1-ium;chloride; KJM5A6A3YL; Pyridinium, 1-dodecyl-, chloride (1:1); Newkalgen B 251; DPC (onium compound); lauryl pyridinium chloride; Pyridinium, 1-dodecyl-, chloride; C 2 (VAN); EINECS 203-232-2; NSC 35027; AI3-02741; 1-dodecylpyridine; C17H30ClN; SCHEMBL122151; DTXSID7051476; 1-Dodecyl-1-pyridinium Chloride; NSC35027; MFCD00011987; NSC-35027; AKOS015833157; 1-Dodecylpyridinium chloride, AldrichCPR; LS-14610; CS-0179760; D0995; FT-0653359; H11279; J-001239; Q27282293"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35027	.	.	.	.	283.9	C17H30ClN	3.9	161	.	19	0	1	11	"InChI=1S/C17H30N.ClH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1"	CCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]	GKQHIYSTBXDYNQ-UHFFFAOYSA-M
DG50221	Flavaspidic acid	8237	"Flavaspidic acid; Toxifren; Polystichocitrin; Flavaspidic acid BB; Glavaspidic acid; 114-42-1; Flavaspidsaeure; UNII-7HFR949XW9; NSC 115497; 7HFR949XW9; 2-butanoyl-4-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one; NSC115497; NSC-115497; Flavaspidsaeure [German]; BRN 2068481; 4-08-00-03748 (Beilstein Handbook Reference); CHEMBL291819; SCHEMBL1785484; DTXSID90878659; ZINC100055395; 3'-((5-Butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-5'-methylphloro butyrophenone; Butyrophenone, 3'-((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',4',6'-trihydroxy-5'-methyl-; NCI60_000345; DS-003662; Q5458045; WLN: L6V DHJ BV3 CQ D1 D1 EQ F1R BQ DQ FQ C1 EV3; 2, 3,5-dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-; 2,5-Cyclohexadien-1-one, 3,5-dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-((2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl)methyl)- (9CI); 2,5-Cyclohexadien-1-one, 3,5-dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-; 2,5-Cyclohexadien-1-one,3,5-dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-; 2-butanoyl-6-[(3-butanoyl-2,4,6-trihydroxy-5-methyl-phenyl)methyl]-3,5-dihydroxy-4,4-dimethyl-cyclohexa-2,5-dien-1-one; Butyrophenone,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-2',4',6'-trihydroxy-5'-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115497	.	.	.	.	446.5	C24H30O8	152	837	3.8	32	5	8	8	"InChI=1S/C24H30O8/c1-6-8-14(25)16-19(28)11(3)18(27)12(20(16)29)10-13-21(30)17(15(26)9-7-2)23(32)24(4,5)22(13)31/h27-31H,6-10H2,1-5H3"	CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)O)C)O	NHVQLOCTXSMKIX-UHFFFAOYSA-N
DG50222	Oxyphenisatin acetate	8269	"OXYPHENISATIN ACETATE; 115-33-3; Contax; Acetophenolisatin; Acetalax; Brocatine; Diphesatin; Diphesatine; Acelax; Bisatin; Isocrin; Diacetyldiphenolisatin; Darmoletten; Isaphenin; Izafenin; Promassolax; Puragaceen; Purgaceen; Sanapert; Cirotyl; Eulaxin; Isacen; Isaphen; Laxocol; Lenavac; Lisagal; Prulet; Oxyphenisatine di(acetate); Prulet Liquitab; Laxo-Isatin; Tete-Lax; Diacetyldioxyphenylisatin; Diacetoxydiphenylisatin; Oxyphenisatinacetate; Diacetyldihydroxydiphenylisatin; oxyphenisatine acetate; Diacetyl bis(hydroxyphenyl)isatin; LA 96; 4,4'-Diacetoxydiphenylisatin; Diacetyl bis(p-hydroxyphenyl)isatin; Isatin, O,O'-diacetyldiphenol-; 3,3-Bis(p-acetoxyphenyl)oxindole; oxyphenisatin diacetate; Isalax; Acetphenolisatin; 3,3-Bis(p-acetoxyphenyl)-2-indolinone; UNII-U0Y1YAL65X; Oxyphenisatin Acetate [USAN]; NSC 117186; 3,3-Bis(p-hydroxyphenyl)-2-indolinone diacetate; Oxindole, 3,3'-bis(p-hydroxyphenyl)-, diacetate; C24H19NO5; 3,3-Bis(p-hydroxyphenyl)-2-indolinone diacetate (ester); NSC-59687; U0Y1YAL65X; Phenlaxinum; 2H-Indol-2-one, 3,3-bis(4-(acetyloxy)phenyl)-1,3-dihydro-; [4-[3-(4-acetyloxyphenyl)-2-oxo-1H-indol-3-yl]phenyl] acetate; 3,3-Bis(4-acetoxyphenyl)oxindole; NSC59687; NSC117186; NSC-117186; (2-Oxoindoline-3,3-diyl)bis(4,1-phenylene) diacetate; NCGC00159420-02; NCGC00159420-03; NCGC00159420-04; Diphesatinum; Bisatinum; DSSTox_CID_3411; Endophenolphthalein; Isatin,O'-diacetyldiphenol-; DSSTox_RID_77014; DSSTox_GSID_23411; Purgophen (VAN); Oxyphenisatin acetate (USAN); 2-Indolinone, 3,3-bis(p-hydroxyphenyl)-, diacetate; (2-oxo-2,3-dihydro-1H-indole-3,3-diyl)dibenzene-4,1-diyl diacetate; 4-{3-[4-(acetyloxy)phenyl]-2-oxo-2,3-dihydro-1H-indol-3-yl}phenyl acetate; CAS-115-33-3; Oxindole,3'-bis(p-hydroxyphenyl)-, diacetate; EINECS 204-083-6; NSC 59687; 2-Indolinone,3-bis(p-hydroxyphenyl)-, diacetate (ester); 2H-Indol-2-one,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro-; Bydolax; 2H-Indol-2-one, 3,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro-; 4-(3-(4-(Acetyloxy)phenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl)phenyl acetate; Isocrin (TN); CBDivE_014318; SCHEMBL555117; 4, 4'-Diacetoxydiphenylisatin; CHEMBL1402684; DTXSID9023411; SCHEMBL17471461; CHEBI:135638; 2-Indolinone, 3,3-bis(p-hydroxyphenyl)-, diacetate (ester); 3,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro-2h-indol-2-one; 3, 3-Bis(p-acetoxyphenyl)oxindole; BCP15318; ZINC3831258; Tox21_111651; Tox21_111652; (2-oxo-2,3-dihydro-1H-indole-3,3-diyl)bis(4,1-phenylene) diacetate; STL257074; AKOS003617803; Tox21_111651_1; CS-6519; DB14627; MB00312; MCULE-5437635554; SB64142; 3, 3-Bis(p-acetoxyphenyl)-2-indolinone; AS-76657; HY-101714; D05320; 3, 3-Bis(p-hydroxyphenyl)-2-indolinone diacetate; Q27290537; 3, 3-Bis(p-hydroxyphenyl)-2-indolinone diacetate (ester); [4-[3-(4-acetoxyphenyl)-2-oxo-indolin-3-yl]phenyl] acetate; 2-Indolinone, 3, 3-bis(p-hydroxyphenyl)-, diacetate (ester); 2-Indolinone, 3,3-bis(p-hydroxyphenyl)-, diacetate (ester) (8CI); 2H-Indol-2-one, {3,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117186	.	.	.	.	401.4	C24H19NO5	81.7	625	3.5	30	1	5	6	"InChI=1S/C24H19NO5/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)21-5-3-4-6-22(21)25-23(24)28/h3-14H,1-2H3,(H,25,28)"	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N
DG50223	Maltol	8369	"MALTOL; 118-71-8; 3-Hydroxy-2-methyl-4-pyrone; 3-Hydroxy-2-methyl-4H-pyran-4-one; Larixinic acid; Palatone; Talmon; Larixic acid; Vetol; Veltol; Corps praline; 3-hydroxy-2-methylpyran-4-one; 4H-Pyran-4-one, 3-hydroxy-2-methyl-; 2-Methyl pyromeconic acid; 2-Methyl-3-hydroxy-4-pyrone; 2-Methyl-3-hydroxypyrone; Maltol (natural); 2-Methylpyromeconic acid; 3-Hydroxy-2-methyl-gamma-pyrone; 2-Methyl-3-oxy-gamma-pyrone; 3-Hydroxy-2-methylpyrone; 3-Hydroxy-2-methyl-pyran-4-one; MFCD00006578; FEMA No. 2656; NSC 2829; UNII-3A9RD92BS4; 2-methyl-3-hydroxy-4-pyranone; 3-Hydroxy-2-methyl-4-pyranone; CHEBI:69438; NSC2829; 3-Hydroxy-2-methyl-1,4-pyrone; 3-Hydroxy-2-methyl-.gamma.-pyrone; MLS000069412; 3A9RD92BS4; NSC-2829; 5-Hydroxy-6-methyl-4H-pyran-4-one; NSC-404458; E636; SMR000059093; DSSTox_CID_5523; DSSTox_RID_77818; DSSTox_GSID_25523; WLN: T6O DVJ B1 CQ; CAS-118-71-8; Maltol [NF]; CCRIS 3467; EINECS 204-271-8; BRN 0112169; Methylmaltol; methyl maltol; Laricinic acid; AI3-18547; NATURAL MALTOL; Spectrum_001419; Opera_ID_338; SpecPlus_000443; Ins no.636; Spectrum2_001795; Spectrum3_001351; Spectrum4_001871; Spectrum5_000462; bmse000538; Maltol, analytical standard; SCHEMBL4815; 3-Hydroxy-2-pyran-4-one; Ins-636; BSPBio_003161; KBioGR_002365; KBioSS_001899; SPECTRUM310025; 5-18-01-00114 (Beilstein Handbook Reference); MLS001424145; MLS002415738; 3-Hydroxy-2-methyl-g-pyrone; CHEMBL31422; DivK1c_006539; 3-hydroxy-2-methylpyr-4-one; SPBio_001749; QSPL 180; DTXSID0025523; 2-Methyl-3-oxy-.gamma.-pyrone; 3-hydroxy-2-methyl-4-oxopyrane; 3-hydroxyl-2-methyl-4-pyranone; FEMA 2656; HSDB 8320; KBio1_001483; KBio2_001899; KBio2_004467; KBio2_007035; KBio3_002381; XPCTZQVDEJYUGT-UHFFFAOYSA-; 3-hydroxy-2-methyl-gamma -pyrone; HMS2052K09; HMS3394K09; KUC106764N; ZINC164488; STR01642; Tox21_202215; Tox21_300118; BBL011669; BDBM50227434; CCG-38443; Maltol, natural, >=98.5%, FG; NSC404458; s4940; STK801686; 2-methyl-3-hydroxy-4H-pyran-4-one; Maltol, >=99.0%, FCC, FG; 3-Hydroxy-2-methyl-4-pyrone, 99%; AKOS005607790; 3-Hydroxy-2-Methyl-4-pyrone, natural; CS-W013504; HY-W012788; MCULE-2376032845; NC00350; PS-4578; SDCCGMLS-0066563.P001; Maltol (3-Hydroxy-2-methyl-4-pyrone); 4-(a-d-Glucopyranosido)-a-glucopyranose; NCGC00091223-01; NCGC00091223-02; NCGC00091223-03; NCGC00091223-04; NCGC00091223-05; NCGC00178231-01; NCGC00254046-01; NCGC00259764-01; BP-11468; KSC-11-228-8; N095; NCI60_002320; SY011358; DB-002512; AM20080119; E-636; FT-0615804; M0673; Maltol solution, 1 wt. % in benzyl alcohol; A804081; Q420648; SR-01000712383; SR-01000712383-3; W-108539; BRD-K40619305-001-12-1; Z1868163292; Maltol, United States Pharmacopeia (USP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2829	.	.	.	.	126.11	C6H6O3	46.5	200	0.4	9	1	3	0	"InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3"	CC1=C(C(=O)C=CO1)O	XPCTZQVDEJYUGT-UHFFFAOYSA-N
DG50224	Dibenzoylmethane	8433	"Dibenzoylmethane; 120-46-7; 1,3-Diphenylpropane-1,3-dione; 1,3-DIPHENYL-1,3-PROPANEDIONE; 1,3-Propanedione, 1,3-diphenyl-; 2-Benzoylacetophenone; Phenyl phenacyl ketone; Rhodiastab 83; omega-Benzoylacetophenone; Dibenzoyl-methane; UNII-ANS7ME8OKC; 1,3-Diphenyl-propane-1,3-dione; NSC 6266; MFCD00003085; ANS7ME8OKC; .omega.-Benzoylacetophenone; CHEBI:75417; NSC-6266; Karenzu DK2; dibenzoyl methane; EINECS 204-398-9; BRN 0514910; AI3-19022; CCRIS 8445; Karenzu DK 2; Dibenzoylmethane DBM); .gamma.-hydroxychalkone; 1, 1,3-diphenyl-; Spectrum2_000038; Spectrum3_001950; EC 204-398-9; DSSTox_CID_21247; DSSTox_RID_79661; DSSTox_GSID_41247; SCHEMBL39582; BSPBio_003550; MLS002695996; SPECTRUM1505311; SPBio_000135; CHEMBL371523; 1,3-diphenyl-1,3-propandione; 1,3-diphenyl-1,3-propanedion; DTXSID3041247; BDBM22727; KBio3_002841; NSC6266; 1,3-Diphenyl-Propan-1,3-Dion; HMS3091A20; STR01439; ZINC4530702; 1,3-Diphenylpropanedione (Related); Tox21_300686; AC7872; CCG-40047; STK372683; AKOS000119639; CS-W010447; HY-W009731; MCULE-6320643310; 1,3-Diphenyl-1,3-propanedione, 98%; UPCMLD0ENAT5883819:001; NCGC00095298-01; NCGC00095298-02; NCGC00095298-03; NCGC00095298-04; NCGC00254594-01; AC-11379; CAS-120-46-7; M261; SMR001253722; SY014045; DB-041558; AM20020283; D0910; FT-0624640; Dibenzoylmethane 1,3-Diphenyl-1,3-propanedione; Q5272260; W-108476; BRD-K01555864-001-02-8; F0001-0329; Z256709078"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6266	.	.	.	.	224.25	C15H12O2	34.1	243	3.1	17	0	2	4	"InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2"	C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2	NZZIMKJIVMHWJC-UHFFFAOYSA-N
DG50225	Benzethonium chloride	8478	"benzethonium chloride; 121-54-0; Phemeride; Hyamine; Quatrachlor; Benzethoniumchloride; Phemerol Chloride; Phemithyn; Disilyn; Kylacol; Diapp; Polymine D; Hyamine 1622; Benzetonium chloride; Anti-germ 77; Benzethonii chloridum; Antiseptol; Banagerm; Cloruro de benzetonio; Inactisol; Phemerol; Chlorure de benzethonium; Sanizol; Benzethonium chloride 1622; Microklenz; Neostelin green; UNII-PH41D05744; p-tert-Octylphenoxyethoxyethyldimethylbenzylammonium chloride; MFCD00011742; benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride; 5929-09-9; Diisobutylphenoxyethoxyethyl dimethyl benzyl ammonium chloride; Diisobutylphenoxyethoxyethyldimethyl benzyl ammonium chloride; CHEBI:31264; NSC-20200; N-benzyl-N,N-dimethyl-2-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethanaminium chloride; PH41D05744; 1313-08-2; p-Diisobutyl phenoxyethoxyethyl dimethyl benzylammonium chloride; (2-(2-(4-Diisobutylphenoxy)ethoxy)ethyl)dimethylbenzylammonium chloride; DSSTox_CID_3810; 121-54-0 (Cl-); Benzyldimethyl-p-(1,1,3,3-tetramethylbutyl)phenoxyethoxy-ethylammonium chloride; Benzetonio cloruro; DSSTox_RID_77195; DSSTox_GSID_23810; Benzethoni chloridum; N,N-Dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-benzenemethanaminium chloride; N-benzyl-N,N-dimethyl-2-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethan-1-aminium chloride; QAC; p-Diisobutyl(phenoxyethoxy)ethyl]dimethylbenzylammonium chloride; UNII-RS89WU8V92; CHEMBL221753; RS89WU8V92; Benzyldimethyl(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium chloride; Benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium chloride; Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride (1:1); Formula 144; NSC20200; Caswell No. 614B; SR-05000001572; NCGC00016373-03; CAS-121-54-0; BZT (VAN); Benzetonio cloruro [DCIT]; C27H42ClNO2; Phemerol chloride monohydrate; Salanine; CCRIS 4748; HSDB 567; [2-[2-(4-Diisobutylphenoxy)ethoxy]ethyl]dimethylbenzylammonium chloride; {2-[2-(4-diisobutylphenoxy)ethoxy]ethyl}dimethylbenzylammonium chloride; Antiseptol (quarternary compound); Phemersol chloride; benzyldimethyl(2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)ammonium chloride; benzyldimethyl(2-{2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)ammonium chloride; Microklenz (TN); Benzethonii chloridum [INN-Latin]; NCI-C61494; Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride (1:1); N,N-dimethyl-N-(2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)-benzenemethanaminium chloride; N-benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium chloride; Prestwick_995; EINECS 204-479-9; Hyamine (TN); Cloruro de benzetonio [INN-Spanish]; NSC 20200; Chlorure de benzethonium [INN-French]; EPA Pesticide Chemical Code 069154; Neostelin green (TN); Benzethonium chloride [USP:INN:BAN:JAN]; EC 204-479-9; Benzethonium chloride, 97%; benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium chloride; Benzethonium Chloride Hydrate; SCHEMBL21713; Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride; MLS002153968; SPECTRUM1500138; DTXSID6023810; HMS502G17; HMS1570M17; HMS1920G07; HMS2091M09; HMS2097M17; HMS2230M22; HMS3373H09; HMS3652D03; HMS3714M17; HMS3885P07; Pharmakon1600-01500138; Diisobutyl phenoxy ethoxy ethyl dimethyl benzyl ammonium chloride; HY-B0942; Tox21_110403; Tox21_202488; CCG-39713; NSC755908; p-Diisobutylphenoxyethoxyethyldimethylbenzylammonium chloride monohydrate; s4162; 2-(2-(p-(Diisobutyl)phenoxy)ethoxy)ethyl dimethyl benzyl ammonium chloride; AKOS005287417; Tox21_110403_1; ACN-034828; MCULE-8602828714; NSC-755908; Ammonium, benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride; Benzethonium chloride (JP17/USP/INN); NCGC00016373-08; NCGC00091528-01; NCGC00091528-02; NCGC00094597-01; NCGC00094597-02; NCGC00094597-03; NCGC00094597-04; NCGC00260037-01; Ammonium, benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride, monohydrate; AS-14646; M019; SMR001233307; DB-053360; B0044; FT-0622657; FT-0635910; Hyamine(R) 1622 solution, 4 mM in H2O; SW197077-3; A13653; Benzethonium chloride, tested according to USP; D01140; N11901; Benzethonium chloride, BioUltra, >=99.0% (AT); Q425119; J-200196; SR-05000001572-1; SR-05000001572-3; F2173-1223; Z1317839149; Benzethonium chloride, >=97% (titration), >=98% (HPLC); [Diisobutyl(phenoxyethoxy)ethyl]dimethylbenzylammonium chloride; p-Diisobutylphenoxyethoxyethyl dimethyl benzyl ammonium chloride; [[(Diisobutyl)phenoxyethoxyethyl]dimethylbenzyl]ammonium chloride; [[(Diisobutylphenoxy)ethoxy]ethyl] dimethyl benzyl ammonium chloride; Ammonium,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride; Ammonium,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-,chloride; Benzethonium chloride, European Pharmacopoeia (EP) Reference Standard; Benzethonium chloride, United States Pharmacopeia (USP) Reference Standard; Benzethonium Chloride, Pharmaceutical Secondary Standard; Certified Reference Material; Benzyldimethyl-[[[p-(1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium chloride; Benzyldimethyl[2-[2-[4-(1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium chloride; Benzyldimethyl[2-[2-[p-(1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium chloride; WLN: 1X1 & 1 & 1X1 & 1 & R DO2O2K1 & 1 & 1R & Q & G; Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)- ethyl)-, chloride; Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride, monohydrate; Benzenemethanaminium,N-dimethyl-N-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride; N,N-Dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)- ethyl)benzenemethanaminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755908	.	.	.	.	448.1	C27H42ClNO2	18.5	466	.	31	0	3	12	"InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1"	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]	UREZNYTWGJKWBI-UHFFFAOYSA-M
DG50226	"1,9-Pyrazoloanthrone"	8515	"129-56-6; 1,9-Pyrazoloanthrone; SP600125; Pyrazolanthrone; Dibenzo[cd,g]indazol-6(2H)-one; Pyrazoleanthrone; SP 600125; Anthra[1,9-cd]pyrazol-6(2H)-one; SP-600125; Anthra-1,9-pyrazol-6-none; JNK Inhibitor II; 2H-Dibenzo[cd,g]indazol-6-one; C.I. 70300; ANTHRA(1,9-cd)PYRAZOL-6(2H)-ONE; NSC 75890; 1pmv; UNII-1TW30Y2766; NSC75890; NSC-75890; CHEMBL7064; MLS002693964; 2h-dibenzo(cd,g)indazol-6-one; CHEBI:90695; 1TW30Y2766; NCGC00015958-03; SMR000015440; SR-01000075840; EINECS 204-955-6; BRN 0746890; 2zmd; Kinome_3844; Tocris-1496; BiomolKI_000068; Lopac-S-5567; BiomolKI2_000072; cid_8515; DSSTox_CID_20525; DSSTox_RID_79502; CBiol_002049; DSSTox_GSID_40525; Lopac0_000473; BMK1-G8; BSPBio_001066; ChemBiol10705 Compound 4; KBioGR_000406; KBioSS_000406; JMC517015 Compound 2; MLS002153267; MLS006011577; SCHEMBL170980; anthra[1,9-cd]pyrazol-6-one; GTPL5273; Pyrazolanthrone (SP600125); CHEMBL1725279; DTXSID2040525; SCHEMBL15583517; 4-Aminopyridine-2-carboxylicacid; BCBcMAP01_000053; BDBM16018; dibenz[cd,g]indazol-6(2h)-one; KBio2_000406; KBio2_002974; KBio2_005542; KBio3_000771; KBio3_000772; Bio1_000335; Bio1_000824; Bio1_001313; Bio2_000373; Bio2_000853; HMS1362F07; HMS1667K13; HMS1792F07; HMS1990F07; HMS2250C03; HMS3229I16; HMS3261O08; HMS3267P06; HMS3295M01; HMS3403F07; HMS3412F05; HMS3654P10; HMS3676F05; HMS3747M19; ALBB-024051; AMY31086; Anthra[1,9cd]pyrazol-6(2H)-one; BCP05457; EX-A1998; Tox21_110267; Tox21_500473; Anthra[1-9-cd]pyrazol-6(2H)-one; BDBM50024294; BDBM50433916; CCG-47500; Dibenzo[cd,g]indazol-6(2H)-one #; HSCI1_000136; MFCD00022289; NSC755773; s1460; ZINC96298875; AKOS000115584; Anthra[1,9-cd]pyrazol-6(2H)-one;; Anthrapyrazolone; 1,9-Pyrazoloanthrone; CCG-100672; CS-0196; DB01782; LP00473; MCULE-7820194475; NSC-755773; SDCCGSBI-0050458.P003; 1,6-dihydrodibenzo[cd,g]indazol-6-one; 2,6-dihydrodibenzo[cd,g]indazol-6-one; IDI1_002128; QTL1_000077; s10332; SMP2_000240; NCGC00015958-01; NCGC00015958-02; NCGC00015958-04; NCGC00015958-05; NCGC00015958-06; NCGC00015958-07; NCGC00015958-08; NCGC00015958-22; NCGC00025186-01; NCGC00025186-02; NCGC00025186-03; NCGC00025186-04; NCGC00025186-05; NCGC00261158-01; WLN: T C6665 1A P IV OMNJ; 14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one; 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one; AC-32051; AS-14374; CAS-129-56-6; HY-12041; JNK Inhibitor II - CAS 129-56-6; K914; SMR002530644; DB-041928; EU-0100473; FT-0607068; SW218106-2; EN300-02083; Anthra[1,9-cd]pyrazol-6(2H)-one & Z-100; K00068; S 5567; SP600125, >=98% (HPLC); AB00075935-01; SP 600125 & Z-100; 129S566; A888840; Anthra[1,9-cd]pyrazol-6(2H)-one;SP-600125; Q4545713; SR-01000075840-1; SR-01000075840-2; SR-01000075840-4; SR-01000075840-6; SR-01000637108-1; W-108360; BRD-K01567962-001-04-0; BRD-K01567962-001-06-5; BRD-K01567962-001-08-1; BRD-K01567962-001-22-2; Z56785477; F1414-1245; 14,15-diazatetracyclo[7.6.1.0;{2,7}.0;{13,16}]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755773	.	.	.	.	220.23	C14H8N2O	45.8	343	2.7	17	1	2	0	"InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)"	C1=CC=C2C(=C1)C3=NNC4=CC=CC(=C43)C2=O	ACPOUJIDANTYHO-UHFFFAOYSA-N
DG50227	Proxazole citrate	8589	"Proxazole citrate; Pirecin; Solacil; 132-35-4; Aerbron; Toness; Propaxoline; Propaxolin; Proxazol citrate; AF-634; NSC 303872; MLS003115794; AF 634; NSC303872; 1,2,4-OXADIAZOLE, 5-(2-(DIETHYLAMINO)ETHYL)-3-(alpha-ETHYLBENZYL)-, CITRATE; NSC-303872; Flou; Propaxolin citrate; Propaxoline citrate; N,N-Diethyl-2-(3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl)ethanamine 2-hydroxypropane-1,2,3-tricarboxylate; Proxazole citrate [USAN]; EINECS 205-059-8; Toness (TN); Proxazole citrate(USAN); 3-alpha-Phenylpropyl-5-beta-diethylaminoethyl-1,2,4-oxadiazole citrate; N,N-Diethyl-3-(1-phenylpropyl)-1,2,4-oxadiazole-5-ethanamine citrate; 1,2,4-Oxadiazole-5-ethanamine, N,N-diethyl-3-(1-phenylpropyl)-, citrate; 5-(2-(Diethylamino)ethyl)-3-(alpha-ethylbenzyl)-1,2,4-oxadiazole citrate; 5-(2-(Diethylamino)ethyl)-3-(alpha-phenylpropyl)-1,2,4-oxadiazole citrate; 5-(2-(Diethylamino)ethyl)-3-(alpha-ethylbenzyl)-1,2,4-oxadiazole citrate (1:1); DSSTox_CID_28686; DSSTox_RID_82956; DSSTox_GSID_48760; SCHEMBL41604; Proxazole citrate (JAN/USAN); CHEMBL2104858; DTXSID5048760; CHEBI:32069; Tox21_113225; AKOS015994605; HS-0015; 5-(2-(Diethylammonio)ethyl)-3-(1-phenylpropyl)-1,2,4-oxadiazolediylium citrate; 1,2,4-Oxadiazole-5-ethanamine, N,N-diethyl-3-(1-phenylpropyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1); CAS-132-35-4; SMR001831360; D01650; Q27294669; {5-[2-(Diethylamino)ethyl]-3-(.alpha.-ethylbenzyl)-1,2,} 4-oxadiazole citrate (1:1); 1,2, 4-Oxadiazole, {5-[2-(diethylamino)ethyl]-3-(.alpha.-ethylbenzyl)-,} citrate (1:1); 1,2,4-Oxadiazole, {5-[2-(diethylamino)ethyl]-3-(.alpha.-ethylbenzyl)-,} citrate; 1,2,4-Oxadiazole, 5-[2-(diethylamino)ethyl]-3-(.alpha.-ethylbenzyl)-, citrate; 1,4-Oxadiazole, 5-[2-(diethylamino)ethyl]-3-(.alpha.-ethylbenzyl)-, citrate; 1,4-Oxadiazole, 5-[2-(diethylamino)ethyl]-3-(.alpha.-ethylbenzyl)-, citrate (1:1); 5-[2-(Diethylamino)ethyl]-3-(.alpha.-ethylbenzyl)-1,4-oxadiazole citrate (1:1); 5-[2-(diethylammonio)ethyl]-3-(1-phenylpropyl)-1,2,4-oxadiazolediyliumcitrate; citric acid; N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine; 1,2, 4-Oxadiazole-5-ethanamine, N,N-diethyl-3-(1-phenylpropyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1); 1,4-Oxadiazole-5-ethanamine, N,N-diethyl-3-(1-phenylpropyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1); N,N-diethyl-2-(3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl)ethan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate; N,N-Diethyl-2-(3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl)ethanamine 2-hydroxy-1,2,3-propanetricarboxylate; N,N-Diethyl-2-(3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl)ethanamine2-hydroxypropane-1,2,3-tricarboxylate; N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	303872	.	.	.	.	479.5	C23H33N3O8	174	505	.	34	4	11	13	"InChI=1S/C17H25N3O.C6H8O7/c1-4-15(14-10-8-7-9-11-14)17-18-16(21-19-17)12-13-20(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,15H,4-6,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)"	CCC(C1=CC=CC=C1)C2=NOC(=N2)CCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O	WFAULHLDTDDABL-UHFFFAOYSA-N
DG50228	2-[(Carboxymethyl)thio]benzoic acid	8660	"135-13-7; 2-(Carboxymethylthio)benzoic acid; 2-[(carboxymethyl)thio]benzoic acid; 2-(carboxymethylsulfanyl)benzoic acid; 2-[(carboxymethyl)sulfanyl]benzoic acid; 2-((Carboxymethyl)thio)benzoic acid; (o-Carboxyphenylthio)acetic acid; 2-Carboxyphenylthioglycolic acid; Acetic acid,(2-carboxyphenyl)thio-; EINECS 205-178-5; BENZOIC ACID, (2-CARBOXYMETHYLTHIO)-; NSC5347; o-((Carboxymethyl)thio)benzoic acid; UNII-P2T1UOX9U3; P2T1UOX9U3; Benzoic acid, (2-(carboxymethyl)thio)-; MLS000530235; NSC-5347; 2-Carboxymethylsulfanyl-benzoic acid; Benzoicacid,2-[(carboxymethyl)thio]; Benzoic acid, 2-[(carboxymethyl)thio]-; SMR000135212; WLN: QV1SR BVQ; o-[(Carboxymethyl)thio]benzoic acid; [2-(Carboxymethyl)thio]benzoic acid; o-[(Carboxyphenyl)thio]glycollic acid; [o-(Carboxyphenyl)mercapto]acetic acid; Benzoic acid, o-[(carboxymethyl)thio]-; Benzoic acid, [2-(carboxymethyl)thio]-; o-Carboxyphenylthioglycollic acid; NSC 379; (2-Carboxymethylthio)benzoic acid; (o-Carboxyphenylmercapto)acetic acid; BRN 2109941; cid_8660; NCIStruc1_000034; NCIStruc2_000159; 2-[(carboxymethyl)sulfanyl]benzenecarboxylic acid; Oprea1_589898; 4-10-00-00278 (Beilstein Handbook Reference); SCHEMBL340809; AMBZ0453; NSC379; CHEMBL1409646; NIOSH/DG4975100; BDBM63007; ZINC92914; DTXSID90159192; NCI5347; NSC-379; 2-carboxymethylsulfanylbenzoic acid; HMS1616D05; HMS2374G19; o-(carboxymethylthio) benzoic acid; ALBB-004041; 3901AD; AM9629; CCG-38140; MFCD00021761; NCGC00013056; STK502136; AKOS001684731; MCULE-5082048769; o-((1-Carboxymethyl)thio)benzoic acid; 2-(CARBOXYMETHYLTHIO)BENZOICACID; NCGC00013056-02; NCGC00096180-01; 2-[(2-Carboxyphenyl)sulfanyl]acetic acid; NCI60_004316; Propionic acid, 2-(o-carboxyphenylthio)-; Benzoic acid, o-((1-carboxyethyl)thio)-; Benzoic acid, o-(1-carboxyethylmercapto)-; DB-015733; BB 0240735; CS-0269504; DG49751000; FT-0610835; 2-(2-hydroxy-2-oxoethylsulfanyl)benzoic acid; Benzoic acid, o-((carboxymethyl)thio)- (8CI); 10L-765; W-109482; Z149170932"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5347	.	.	.	.	212.22	C9H8O4S	99.9	229	1.6	14	2	5	4	"InChI=1S/C9H8O4S/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)"	C1=CC=C(C(=C1)C(=O)O)SCC(=O)O	GMBZSYUPMWCDGK-UHFFFAOYSA-N
DG50229	Acridine Yellow G	8672	"Acridine Yellow G; Acridine Yellow; 135-49-9; Basic Yellow K; Acridine yellow H107; UNII-V0923J4F9K; 3,6-Acridinediamine, 2,7-dimethyl-, monohydrochloride; ci 46025; 2,7-dimethylacridine-3,6-diamine hydrochloride; 2,7-Dimethylacridin-3,6-yldiamine hydrochloride; V0923J4F9K; MFCD00012661; Acridine Yellow G (C.I. 46025); 3,6-Diamino-2,7-dimethylacridine hydrochloride; NSC13973; 2,7-Dimethyl-3,6-acridinediamine monohydrochloride; 3,6-Acridinediamine, 2,7-dimethyl-, hydrochloride (1:1); CHEBI:51742; CCRIS 1202; EINECS 205-194-2; NSC 13973; acridine yellow hydrochloride; SCHEMBL68756; SCHEMBL607918; CHEMBL1985453; DTXSID2059649; 3,6-Acridinediamine,2,7-dimethyl-, hydrochloride (1:1); Diamondphosphin (Acridin yellow G); 3,7-dimethylacridine, hydrochloride; ACRIDINE, 3,6-DIAMINO-2,7-DIMETHYL-, MONOHYDROCHLORIDE; AMY22362; 6283AF; NSC-13973; 3, 2,7-dimethyl-, monohydrochloride; AKOS015916500; Acridine Yellow G, Dye content 90 %; MCULE-7954790448; DB-042292; FT-0631785; 3,6-Diamino-2,7-dimethylacridine monohydrochloride; Acridine,6-diamino-2,7-dimethyl-, monohydrochloride; J-006707; 3,6-Acridinediamine, 2,7-dimethyl-, hydrochloride;; Q23054729"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13973	.	.	.	.	273.76	C15H16ClN3	64.9	278	.	19	3	3	0	"InChI=1S/C15H15N3.ClH/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16;/h3-7H,16-17H2,1-2H3;1H"	CC1=CC2=CC3=C(C=C(C(=C3)C)N)N=C2C=C1N.Cl	BGLGAKMTYHWWKW-UHFFFAOYSA-N
DG50230	"2,5-Dimethyl-1,4-benzoquinone"	8718	"2,5-Dimethyl-1,4-benzoquinone; 137-18-8; p-Xyloquinone; Phlorone; 2,5-Dimethyl-p-benzoquinone; 2,5-dimethylcyclohexa-2,5-diene-1,4-dione; 2,5-Cyclohexadiene-1,4-dione, 2,5-dimethyl-; 2,5-Dimethylquinone; 2,5-Xyloquinone; Floron; 3,6-Dimethyl-p-benzoquinone; 2,5-Dimethylbenzoquinone; 2,5-Dimethyl-2,5-cyclohexadiene-1,4-dione; NSC 15309; p-BENZOQUINONE, 2,5-DIMETHYL-; 2,5-Dimethyl-1,4-benzochinon; 2,5-Dimetilbenzochinone (1:4); 2,5-Dimethyl-[1,4]benzoquinone; 2,5-Dimethyl-p-quinone; MFCD00041737; 2,5-Dimethyl Benzoquinone; UNII-18D1OR9CE1; 18D1OR9CE1; NSC15309; p-Benzoquinone,5-dimethyl-; Floron [Czech]; Florone [Italian]; 2,4-dione, 2,5-dimethyl-; 2,5-Dimethyl-4-benzoquinone; WLN: L6V DVJ B1 E1; CCRIS 7150; EINECS 205-283-6; 2,5-Dimethyl-1,4-benzochinon [Czech]; 2,5-Dimetilbenzochinone (1:4) [Italian]; AI3-61044; BENZOQUINONE, 2, 5-DIMETHYL-(PHLORONE); SCHEMBL49964; 2,5-dimethyl-parabenzoquinone; Benzoquinone, 2, 5-dimethyl-; CHEMBL150457; DTXSID0059669; MYKLQMNSFPAPLZ-UHFFFAOYSA-; 2,5-Dimethylbenzo-1,4-quinone #; BCP25411; NSC36547; NSC37558; ZINC1706874; 6552AA; BDBM50480246; NSC-15309; NSC-36547; NSC-37558; AKOS015903704; MCULE-3530749400; NCGC00164488-01; AS-31102; NCI60_001078; SY023221; CS-0134626; D0686; FT-0687462; 2,5-Dimethyl-1,4-benzoquinone, >=98.0%; 2,5-Cyclohexadiene-1,4-dione,2,5-dimethyl-; A886546; J-006974; 2,5-DIMETHYL-1,4-BENZOQUINONE                        2,5-XYLOQUINONE                        2,5-DIMETHYL-P-BENZOQUINONE                        2,5-DIMETHYL-P-QUINONE                        2,5-DIMETHY"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15309	.	.	.	.	136.15	C8H8O2	34.1	228	1.3	10	0	2	0	"InChI=1S/C8H8O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3"	CC1=CC(=O)C(=CC1=O)C	MYKLQMNSFPAPLZ-UHFFFAOYSA-N
DG50231	Benzododecinium chloride	8753	"139-07-1; Benzododecinium chloride; N-Benzyl-N,N-dimethyldodecan-1-aminium chloride; Benzyldimethyldodecylammonium chloride; Cequartyl A; Catigene OM; Benzyldodecyldimethylammonium chloride; ZEPHIROL; Catiogen PAN; Dodecyl dimethyl benzyl ammonium chloride; Rolcril; Catinal CB 50; Dehyquart LDB; Vantoc CL; Benzododecinii Chloridum; Catiolite BC 50; dodecyldimethylbenzylammonium chloride; Noramium DA 50; Triton K60; Lauryldimethylbenzylammonium chloride; Amoryl BR 1244; Cloruro de Benzododecinio; Laurylbenzalkonium chloride; Chlorure de Benzododecinium; Benzyldimethyllaurylammonium chloride; Dimethylbenzyllaurylammonium chloride; Laurylbenzyldimethylammonium chloride; Bas 2631; Dimethylbenzyldodecylammonium chloride; Dimethyldodecylbenzylammonium chloride; Dodecylbenzyldimethylammonium chloride; N-Lauryldimethylbenzylammonium chloride; N-Dodecyl-N,N-dimethylbenzenemethanaminium chloride; NSC 85508; Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride; UNII-Y5A751G47H; N-Dodecyldimethylbenzylammonium chloride; Benzododecinium chloride [INN]; Dodecyldimethylbenzylammonium chloride (ACN); Alkyldimethylbenzylammonium chloride; NSC-85508; Benzododecinium (Chloride); N-Benzyl-N-dodecyl-N,N-dimethylammonium chloride; N-Dodecyl-N,N-dimethyl-N-benzylammonium chloride; N,N-Dimethyl-N-dodecylbenzenemethanaminium chloride; Lauryl dimethyl benzyl ammonium chloride; Lauryl benzalkonium (chloride); Y5A751G47H; NSC85508; MFCD00137276; Retarder N; Orthosan HM; BENZYLDIMETHYL-N-DODECYLAMMONIUM CHLORIDE; DSSTox_CID_14317; Loraquat B 50; Rewoquat B 50; Tetranil BC 80; Texnol R 5; Benzododecinium chloride (INN); Caswell No. 073A; Caswell No. 416C; Swanol CA 100; Swanol CA 101; Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride (1:1); Dimethylaurylbenzylammonium chloride; Dimethylbenzyldodecylammonium chloride; Dimethylbenzyllaurylammonium chloride; Benzododecinio cloruro [DCIT]; Benzododecinio cloruro; Ammonium, benzyldodecyldimethyl-, chloride; DYK 1125; QBA 1211; EINECS 205-351-5; Benzododecinii chloridum [INN-Latin]; Benzyl-lauryldimethylammonium chloride; EPA Pesticide Chemical Code 069124; Dodecyl-dimethyl-benzylammonium chloride; Cloruro de benzododecinio [INN-Spanish]; Euchlorine; Chlorure de benzododecinium [INN-French]; Tetranil; Swanol; Ammonium, benzyldimethyldodecyl-, chloride; 2-Phenylburyricacid; D-Dodecyl-N,N-dimethylbenzenemethanaminium chloride; benzyl-dodecyl-dimethylazanium chloride; SCHEMBL914; n-dodecyl-n-benzyl-n,n-dimethylammonium chloride; DSSTox_RID_79142; DSSTox_RID_79599; DSSTox_GSID_34317; DSSTox_GSID_40787; Benzenemethanaminium, N,N-dimethyl-N-dodecyl-, chloride; CHEMBL1885899; DTXSID2040787; NSC-85508Lauralkonium chloride; CHEBI:167208; Lauryldimethylbenzoammonium chloride; Benzyllauryldimethylammonium chloride; HY-B1549; Tox21_301369; Tox21_302065; dodecyldimethylbenzyl ammonium chloride; AKOS015902768; benzyl-dodecyl-dimethylammonium chloride; MCULE-8886547021; SC10035; NCGC00164245-01; NCGC00255209-01; NCGC00255472-01; BS-15004; CAS-139-07-1; CAS-8001-54-5; DB-029696; CS-0013412; FT-0602836; D07210; H11039; Ammonium, benzyldodecyldimethyl-, chloride (8CI); Q408727; W-108223; UNII-9U1Q4T4ZYS component JBIROUFYLSSYDX-UHFFFAOYSA-M; UNII-F5UM2KM3W7 component JBIROUFYLSSYDX-UHFFFAOYSA-M"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85508	.	.	.	.	340	C21H38ClN	0	240	.	23	0	1	13	"InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1"	CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]	JBIROUFYLSSYDX-UHFFFAOYSA-M
DG50232	Diethyldithiocarbamic acid	8987	"Diethyldithiocarbamic acid; Ditiocarb; Diethylcarbamodithioic acid; 147-84-2; Carbamodithioic acid, diethyl-; Diethyl dithiocarbamate; Diethyldithione; Carbamic acid, diethyldithio-; Dithiocarb; Imuthiol; DIETHANOL-DITHIOCARBAMATE; UNII-99Z2744345; Carbamodithioic acid, N,N-diethyl-; Cupral; Dieca; DETC; 99Z2744345; NSC4857; NSC38583; CCRIS 7364; NCGC00166328-01; EINECS 205-701-7; Diethyldithiocarbaminic acid; BRN 1747741; n,n-diethyldithiocarbamic acid; 4olc; diethyl-dithiocarbamate; ditiocarb-sodium-trihydrate; CHEMBL961; NCIMech_000185; Carbamic acid,diethyldithio-; SCHEMBL48382; Diethylcarbamodithioic acid #; 4-04-00-00389 (Beilstein Handbook Reference); N,N-diethylcarbamodithioic acid; DTXSID3045017; CHEBI:144353; ZINC3633221; BDBM50428474; CCG-35356; diethyl[sulfanyl(carbonothioyl)]amine; AKOS006230661; DB02520; NCGC00166328-02; NCI60_004156; C19150; SR-01000944438; SR-01000944438-1; Q27093504"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4857	.	.	.	.	149.3	C5H11NS2	36.3	78.5	1.6	8	1	2	2	"InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)"	CCN(CC)C(=S)S	LMBWSYZSUOEYSN-UHFFFAOYSA-N
DG50233	Cycloguanil hydrochloride	9048	"CYCLOGUANIL HYDROCHLORIDE; 152-53-4; Cycloguanil HCl; 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride; Chloroguanide triazine hydrochloride; NSC 3074; UNII-5C8E0L7498; Cycloguanil (hydrochloride); CHEBI:79772; MFCD00035308; 1-(4-Chlorophenyl)-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine monohydrochloride; 5C8E0L7498; 152-53-4 (HCl); NCGC00229703-01; 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride; 1-(4-Chlorophenyl)-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine Hydrochloride; GNF-PF-2519; NSC3074; BN 2410; AI3-26080; Chloroguanide Triazine; DSSTox_CID_28979; DSSTox_RID_83244; DSSTox_GSID_49053; MLS006011693; C11H15Cl2N5; CHEMBL544227; DTXSID7049053; NSC-3074; Tox21_113603; 7651AA; HY-12784A; AKOS003661804; CS-W012212; MCULE-3192862255; SB73714; s-Triazine, 4,6-diamino-1-(p-chlorophenyl)-1,2-dihydro-2,2-dimethyl-, monohydrochloride; CAS-152-53-4; DS-14609; SMR002530105; FT-0665342; C72890; A883898; 4,2-dihydro-2,2-dimethyl-s-triazine hydrochloride; J-008930; Q27148906; WLN: T6N CN EN BHJ AR DG & B1 B1 DZ FZ & GH; 1,5-Triazine-2,4-diamine, 1-(4-chlorophenyl)-1,6-dihydro-6,6-dimethyl-, monohydrochloride; 1-(4-CHLOROPHENYL)-4,6-DIAMINO-1,2-DIHYDRO-2,2-DIMETHYL-1,3,5-TRIAZINE HCL; s-Triazine,6-diamino-1-(p-chlorophenyl)-1,2-dihydro-2,2-dimethyl-, monohydrochloride; 1,3,5-Triazine-2,4-diamine, 1-(4-chlorophenyl)-1,6-dihydro-6,6-dimethyl-, monohydrochloride (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3074	.	.	.	.	288.17	C11H15Cl2N5	80	355	.	18	3	1	1	"InChI=1S/C11H14ClN5.ClH/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8;/h3-6H,1-2H3,(H4,13,14,15,16);1H"	CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.Cl	MOUAPRKJJUXEIE-UHFFFAOYSA-N
DG50234	"2,3,5-Triphenyltetrazolium chloride"	9283	"2,3,5-Triphenyltetrazolium chloride; Tetrazolium Red; 298-96-4; Red tetrazolium; Uroscreen; Urocheck; Vitastain; TRIPHENYLTETRAZOLIUM CHLORIDE; Tetrazolium chloride; TTC; 2,3,5-triphenyl-2h-tetrazol-3-ium chloride; Tetrazole Red; UNII-D25727K0RB; 2,3,5-triphenyltetrazol-2-ium;chloride; MFCD00011963; MLS002702520; TT; CHEBI:78019; D25727K0RB; 2H-Tetrazolium, 2,3,5-triphenyl-, chloride (1:1); PTB; 2,3,5-Triphenyltetrazolium chloride;TPTZ;TTC; Tetrzolium chloride; NSC 5053; 1,3,5-Triphenyltetrazolium chloride; EINECS 206-071-6; 1,3,5-Triphenyl-2H-tetrazolium chloride; AI3-50893; Cambridge id 5252916; SCHEMBL33487; triphenyl tetrazolium chloride; CHEMBL401540; DTXSID30889340; NSC5053; 1,5-Triphenyltetrazolium chloride; 2,5-Triphenyltetrazolium chloride; HMS1412L21; BCP15017; HY-D0714; NSC-5053; AKOS001445309; 1,5-Triphenyl-2H-tetrazolium chloride; 2,5-Triphenyl-2H-tetrazolium chloride; AM84909; CS-3521; LS40371; MCULE-1563920342; TTC2,3,5-Triphenyltetrazolium chloride; 2H-Tetrazolium,3,5-triphenyl-, chloride; DS-13606; SMR001566133; SY061570; DB-047670; FT-0609469; T0520; 2,3,5-Triphenyltetrazolium chloride, >=95%; F20368; T-6940; Q415248; J-610013; J-670027; 2,3,5-Triphenyltetrazolium chloride, >=99.0% (AT); Red tetrazolium 2,3,5-Triphenyl tetrazolium chloride; 2,3,5-Triphenyl-tetrazolium chloride solution, for microbiology; 2,3,5-Triphenyltetrazolium chloride, JIS special grade, 98.0-102.0%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5053	.	.	.	.	334.8	C19H15ClN4	34.6	330	.	24	0	3	3	InChI=1S/C19H15N4.ClH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1	C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]	PKDBCJSWQUOKDO-UHFFFAOYSA-M
DG50235	Phenazine methosulfate	9285	"Phenazine methosulfate; 299-11-6; 5-methylphenazin-5-ium methyl sulfate; 5-Methylphenazinium methyl sulfate; Phenazine methosulphate; N-Methylphenazonium methosulfate; Phenazinium, 5-methyl-, methyl sulfate; Methylphenazonium methosulfate; 5-Methylphenazine methylsulfate; N-Methylphenazinium methosulfate; N-Methylphenazonium methosulphate; 5-Methylphenazinium methyl sulphate; 5-Methyl phenazine, methyl sulfate salt; N-Methylphenazinium methyl sulfate; 5-N-Methylphenazonium methosulfate; UNII-J3GYQ3401Y; N-Methylphenazonium methyl sulfate; Phenazine (methylsulfate); 5-methylphenazin-5-ium;methyl sulfate; J3GYQ3401Y; MFCD00011923; Phenazine Methyl Sulfate; Phenazinium, 5-methyl-, methyl sulfate (1:1); PMS (pharmaceutical); PMS (VAN); 5-methylphenazin-5-ium; methyl sulfate; CCRIS 5618; EINECS 206-072-1; NSC 34661; AI3-61076; phenazin methosulfate; Phenazinium, methyl sulfate; SCHEMBL94397; CHEBI:8055; DTXSID1059783; 5-methyl phenazinium methosulfate; AMY27098; NSC34661; NSC-34661; N-Methylphenazonium methosulfate(PMS); AKOS005146546; Phenazine methosulfate, >=90% (UV); CCG-267536; CS-W004520; DS-8261; HY-W004520; FT-0654557; P0083; P1872; C00200; D82042; A820104; W-106967; Q27107674; 94845-69-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34661	.	.	.	.	306.34	C14H14N2O4S	91.6	297	.	21	0	5	0	"InChI=1S/C13H11N2.CH4O4S/c1-15-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)15;1-5-6(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)/q+1;/p-1"	C[N+]1=C2C=CC=CC2=NC3=CC=CC=C31.COS(=O)(=O)[O-]	RXGJTUSBYWCRBK-UHFFFAOYSA-M
DG50237	6-Aminonicotinamide	9500	"6-aminonicotinamide; 329-89-5; 6-Aminopyridine-3-carboxamide; 3-PYRIDINECARBOXAMIDE, 6-AMINO-; 2-Amino-5-carbamoylpyridine; 6-amino-3-pyridinecarboxamide; 6-Aminonicotinic acid amide; 6-Aminonikotinsaeureamid; Nicotinamide, 6-amino-; Aminonicotinamide; FDA 0121; NSC 21206; 6-AN; SR 4388; 6-Amino-nicotinsaeureamid; UNII-D6FNW67F2B; U-8774; NSC21206; 6-ANA; D6FNW67F2B; CHEBI:74514; MFCD00006327; CCRIS 7679; 6-Aminonikotinsaeureamid [German]; EINECS 206-349-7; BRN 0116042; AI3-50770; 6-Aminonitoinamide; 6-amino-nicotinamide; 6-Amino nicotinamide; Spectrum2_001709; Spectrum3_001976; Aminonicotinamide (Related); NCIMech_000769; WLN: T6NJ BZ EVZ; 6-Aminonicotinamide, 99%; DSSTox_CID_30043; DSSTox_GSID_51446; BSPBio_003576; 5-22-13-00618 (Beilstein Handbook Reference); MLS002207034; 2-Aminopyridine-5-carboxamide; SCHEMBL105510; SPECTRUM1505315; SPBio_001698; 6-azanylpyridine-3-carboxamide; CHEMBL1324108; DTXSID5051446; KBio3_002955; Nicotinamide, 6-amino- (8CI); AMY5634; BDBM225673; GTC000445A; HMS3865N03; ALBB-025399; Tox21_303956; BBL104231; CCG-35857; NSC-21206; s9783; STL558250; ZINC19796190; AKOS003406190; HY-W010342; MCULE-4611667997; NCGC00095299-01; NCGC00095299-02; NCGC00095299-03; NCGC00357190-01; AC-31893; BP-13037; CAS-329-89-5; NCI60_001784; SMR001306701; SY038238; TS-00033; DB-048308; A0986; FT-0620940; Z2495; 329A895; A821549; W-202353; Q26841298; 4FG"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21206	.	.	.	.	137.14	C6H7N3O	82	137	0.7	10	2	3	1	"InChI=1S/C6H7N3O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,7,9)(H2,8,10)"	C1=CC(=NC=C1C(=O)N)N	ZLWYEPMDOUQDBW-UHFFFAOYSA-N
DG50238	"3-(o-(Bis(beta-chloroethyl)amino)phenyl)-D,L-alanine"	9571	"o-DL-Sarcolysin; o-Phenylalanine mustard; (+-)-O-Phenylalanine mustard; FDA 0109; NSC-57199; CB 1729; 3-(o-(Bis(beta-chloroethyl)amino)phenyl)-D,L-alanine; 342-95-0; DL-Phenylalanine, 2-(bis(2-chloroethyl)amino)-; DL-Alanine, 3-(o-(bis(2-chloroethyl)amino)phenyl)-; o-Merphalan; o-Sarcolysin; Ortho-phenylalanine mustard; DL-Phenylalanine, 2-[bis(2-chloroethyl)amino]-; DL-Alanine, 3-(o-[bis(2-chloroethyl)amino]phenyl)-; o-Di-2-chloroethylamino-DL-phenylalanine; AI3-50754; 3-(o-(Bis(beta-chloroethyl)amino)phenyl)-DL-alanine; 2-(bis(2-Chloroethyl)amino)phenylalanine; ALANINE, 3-(o-(BIS(2-CHLOROETHYL)AMINO)PHENYL)-, DL-; NCIOpen2_007587; WLN: QVYZ1R BN2G2G; CHEMBL3247486; (.+-.)-o-Phenylalanine mustard; NSC57199; DS-001019; o-Di-(2-chloroethyl)amino-DL-phenylalanine; Phenylalanine, 2-(bis(2-chloroethyl)amino)-; 3-(o-(Bis(.beta.-chloroethyl)amino)phenyl)-d,l-alanine; 3-[o-[Bis(.beta.-chloroethyl)amino]phenyl]-DL-alanine; DL-Phenylalanine, 2-(bis(2-chloroethyl)amino)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	57199	.	.	.	.	305.2	C13H18Cl2N2O2	66.6	273	-0.1	19	2	4	8	"InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)12-4-2-1-3-10(12)9-11(16)13(18)19/h1-4,11H,5-9,16H2,(H,18,19)"	C1=CC=C(C(=C1)CC(C(=O)O)N)N(CCCl)CCCl	ZJHNCWIVJDCKSB-UHFFFAOYSA-N
DG50239	Procarbazine hydrochloride	9703	"Procarbazine hydrochloride; 366-70-1; PROCARBAZINE HCl; Matulane; Nathulane; Natunalar; Procarbazine.HCl; MIH hydrochloride; PCB hydrochloride; Ibenzmethyzine hydrochloride; Procarbazine (Hydrochloride); Natulan; NSC-77213; UNII-XH0NPH5ZX8; NCI-C01810; N-isopropyl-4-((2-methylhydrazinyl)methyl)benzamide hydrochloride; CHEBI:71428; XH0NPH5ZX8; p-(N'-Methylhydrazinomethyl)-N-isopropylbenzamide hydrochloride; 366-70-1 (HCl); NSC-77213 HCl; 1-(p-Isopropylcarbamoylbenzyl)-2-methylhydrazine hydrochloride; 1-Methyl-2-(p-isopropylcarbamoylbenzyl)hydrazine hydrochloride; 1-Methyl-2-p-(isopropylcarbamoyl)benzohydrazine hydrochloride; N-Isopropyl-p-(2-methylhydrazinomethyl)benzamide hydrochloride; 2-(p-(Isopropylcarbamoyl)benzyl)-1-methylhydrazine hydrochloride; N-Isopropyl-alpha-(2-methylhydrazino)-p-toluamide hydrochloride; NSC77213; Ro 4-6467/1; MFCD00072082; Procarbazine hydrochloride (Matulane); MBH; Ro-46467/1; 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride; DSSTox_CID_1190; N-(1-methylethyl)-4-[(2-methylhydrazino)methyl]benzamide hydrochloride; Benzamide, N-(1-methylethyl)-4-((2-methylhydrazino)methyl)-, monohydrochloride; DSSTox_RID_76000; DSSTox_GSID_21190; Natulan hydrochloride; Procarbazine chloridrate; Ibenzmethyzin hydrochloride; 4-[(2-methylhydrazin-1-yl)methyl]-N-(propan-2-yl)benzamide hydrochloride; Benzamide, N-(1-methylethyl)-4-[(2-methylhydrazino)methyl]-, monohydrochloride; CCRIS 531; NCGC00016438-01; Ro-4646711; CAS-366-70-1; EINECS 206-678-6; NSC 77213; AI3-50844; SR-01000763375; Matulane (TN); N-isopropyl-4-[(2-methylhydrazino)methyl]benzamide hydrochloride; Procarbazine hydrochloride [USAN:USP:JAN]; N-Isopropyl-alpha-(2-methylhydrazino)-p-toluamide monohydrochloride; p-Toluamide, N-isopropyl-alpha-(2-methylhydrazino)-, hydrochloride; Procarbazini hydrochloridum; Chlorhydrate de 1-methyl 2 p (isopropylcarbamoyl)benzyl-hydrazine [French]; SCHEMBL4012; C12H20ClN3O; methyl)benzamide hydrochloride; Procarbazine Monohydrochloride; MLS001401414; p-Toluamide, monohydrochloride; CHEMBL1200410; DTXSID3021190; AMY8865; HMS1571O06; RO-4-6467 HYDROCHLORIDE; BCP02880; Chlorhydrate de 1-methyl 2 p (isopropylcarbamoyl)benzyl-hydrazine; NCI-C 01810; NCI-C-01810; Procarbazine hydrochloride (Natulan); Tox21_110439; Tox21_302318; BDBM50247906; p-Toluamide, N-isopropyl-alpha-(2-methylhydrazino)-, monohydrochloride; s1995; WLN: 1Y1&MVR D1MM1 &GH; N-isopropyl-4-((2-methylhydrazinyl); AKOS015895395; Tox21_110439_1; CCG-100985; MCULE-2203793025; NC00235; Procarbazine hydrochloride (JP17/USP); NCGC00016438-04; NCGC00255389-01; AC-12163; AS-13285; BP164298; H809; HY-13733; Ro 4 6467/1; Ro 4-646711; SMR000469151; BCP0726000264; DB-048987; Procarbazine hydrochloride, >=98% (HPLC); FT-0603386; P2550; C07376; D00478; 366P701; A823326; SR-01000763375-4; Q26840941; Z1550675463; 4-[(methylhydrazo)methyl]-N-propan-2-ylbenzamide hydrochloride; methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium;chloride; 4-[(2-methyl-hydrazino)-methyl]-benzoic acid isopropylamide hydrochloride; 4-[(2-methylhydrazinyl)methyl]-N-propan-2-yl-benzamide hydrochloride; N-(1-Methylethyl)-4-[(2-methylhydrazinyl)methyl]benzamide hydrochloride; Procarbazine hydrochloride, United States Pharmacopeia (USP) Reference Standard; Procarbazine Hydrochloride; ; ; Natulan; ; ; 4-[(2-Methylhydrazinyl)methyl]-N-propan-2-ylbenzamide hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	77213	.	.	.	.	257.76	C12H20ClN3O	53.2	210	.	17	4	3	5	"InChI=1S/C12H19N3O.ClH/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1H"	CC(C)NC(=O)C1=CC=C(C=C1)CNNC.Cl	DERJYEZSLHIUKF-UHFFFAOYSA-N
DG50240	N-(3-Chloro-2-oxo-1-(phenylmethyl)propyl)-4-methylbenzenesulfonamide	9824	"329-30-6; Tos-Phe-chloromethylketone; N-(3-Chloro-2-oxo-1-(phenylmethyl)propyl)-4-methylbenzenesulfonamide; n-(4-chloro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzenesulfonamide; NSC 89167; Tosylphenylalanyl chloromethyl ketone, (L)-; L-1-Tosylamide-2-phenylethylchloromethyl Ketone; SCHEMBL441444; DTXSID20926571; NPE1244; Benzenesulfonamide, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-; Tosyl-L-phenylalanyl-chloromethane; NSC89167; NSC-89167; AKOS024370910; Benzenesulfonamide, N-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-4-methyl-; tosyl-l-phenylalanyl chloromethyl ketone; LS-14569; NCI60_041981; 1-chloro-3-tosylamido-4-phenyl-2-butanone; FT-0627626; J-018945; N-(1-Benzyl-3-chloro-2-oxopropyl)-p-toluenesulfonamide; N-(4-Chloro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzene-1-sulfonamide; 130021-38-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89167	.	.	.	.	351.8	C17H18ClNO3S	71.6	475	3.6	23	1	4	7	"InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)CCl	MQUQNUAYKLCRME-UHFFFAOYSA-N
DG50241	Fluorometholone	9878	"fluorometholone; 426-13-1; Fluoromethalone; Oxylone; Flumetholon; Fluormetholone; Cortilet; Delmeson; FML Liquifilm; Fluor-Op; Trilcin; FML Forte; Fluorometolona; Fluorometholonum; Fluormetholon; NSC 33001; component of Neo-Oxylone; UNII-SV0CSG527L; FML; U 8614; CHEBI:31625; 9-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione; (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; SV0CSG527L; MLS000069537; MLS001076157; Fluormetholonum; NSC33001; MFCD00056461; NSC-33001; Fluorometolone; SMR000058598; 9-Fluoro-11,17-dihydroxy-6-methylpregna-1,4-diene-3,20-dione; Fluorometolone [DCIT]; Neo-Oxylone; FML-S Liquifilm; DSSTox_CID_27435; DSSTox_RID_82345; FML S.O.P.; DSSTox_GSID_47435; Fluorometholonum [INN-Latin]; Fluorometolona [INN-Spanish]; Oxylone (TN); Fluor-op (TN); Fml (TN); EINECS 207-041-5; Fluorometholon; AI3-52813; NCGC00016442-01; CAS-426-13-1; Prestwick_227; 9-Fluoro-11-beta,17-dihydroxy-6-alpha-methylpregna-1,4-diene-3,20-dione; Fluorometholone [USP:INN:BAN:JAN]; Opera_ID_341; Prestwick0_000718; Prestwick1_000718; Prestwick2_000718; Prestwick3_000718; F0414; Fluorometholone, >=98%; Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17-dihydroxy-6-alpha-methyl-; SCHEMBL5051; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-6-methyl-, (6alpha,11beta)-; BSPBio_000935; SPBio_002856; BPBio1_001029; GTPL7079; CHEMBL1200600; DTXSID7047435; Pregna-1,4-diene-3,20-dione, 9-fluoro-11.beta.,17-dihydroxy-6.alpha.-methyl-; Fluorometholone (JP17/USP/INN); HMS1570O17; HMS2097O17; HMS2234F16; HMS3714O17; HY-B1893; Tox21_110440; Tox21_302593; BDBM50103631; s5486; 11beta,17alpha-Dihydroxy-9-fluoro-6-methyl-1,4-pregnadiene-3,20-dione; AKOS015895108; Tox21_110440_1; ZINC118912517; AC-3520; CCG-220718; DB00324; (6alpha,11beta)-9-Fluoro-11,17-dihydroxy-6-methylpregna-1,4-diene-3,20-dione; NCGC00021575-03; NCGC00021575-05; NCGC00256631-01; AS-12363; NCI60_002886; CS-0013955; Progesterone, 17-dihydroxy-6.alpha.-methyl-; D01367; 426F131; Q607349; SR-01000003019; SR-01000003019-2; BRD-K64862097-001-03-9; BRD-K64862097-001-12-0; Fluorometholone, British Pharmacopoeia (BP) Reference Standard; Fluorometholone, United States Pharmacopeia (USP) Reference Standard; Pregna-1,20-dione, 9-fluoro-11.beta.,17-dihydroxy-6.alpha.-methyl-; Progesterone, 1-dehydro-9-fluoro-11.beta., 17-dihydroxy-6.alpha.-methyl-; Pregna-1,20-dione, 9-fluoro-11,17-dihydroxy-6-methyl-, (6.alpha.,11.beta.)-; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-6-methyl-, (6I+/-,11I(2))-; Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17-dihydroxy-6alpha-methyl- (8CI); (1R,2S,8S,10S,11S,14R,15S,17S)-14-acetyl-1-fluoro-14,17-dihydroxy-2,8,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one; (1R,2S,8S,10S,11S,14R,15S,17S)-14-acetyl-1-fluoro-14,17-dihydroxy-2,8,15-trimethyltetracyclo[8.7.0.02,7.011,15]heptadeca-3,6-dien-5-one; Pregna-1, 4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-6-methyl-, (6.alpha., 11.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33001	.	.	.	.	376.5	C22H29FO4	74.6	787	2	27	2	5	1	"InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1"	C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O	FAOZLTXFLGPHNG-KNAQIMQKSA-N
DG50242	"5,8-Dihydroxy-1,4-naphthoquinone"	10141	"Naphthazarin; 5,8-Dihydroxy-1,4-naphthoquinone; 475-38-7; 5,8-dihydroxynaphthalene-1,4-dione; Naphthazarine; Naphthazarone; 5,8-Dihydroxynaphthoquinone; 5,8-Dihydroxy-1,4-naphthalenedione; NAPHTHAZALIN; 5,8-Dihydroxy-1,4-naphthosemiquinone; 5,8-Dihydroxy-[1,4]naphthoquinone; UNII-S9IX5I5C0K; S9IX5I5C0K; CHEMBL274056; 1,4-NAPHTHOQUINONE, 5,8-DIHYDROXY-; CHEBI:28849; NSC26647; NSC344555; CCRIS 6670; Dihydroxynaphthoquinone; EINECS 207-495-4; NAPTHAZARIN NPHZ; 5,4-naphthosemiquinone; 1, 5,8-dihydroxy-; 5,8-Dihydroxynaphthaquinone; SCHEMBL149279; NQ-2; SCHEMBL10866768; DTXSID00197161; ZINC901191; 1,5-dihydroxy-4,8-naphthoquinone; HY-N7526; 4,8-Dihydroxy-1,5-naphthalenedione; BDBM50060898; MFCD00001685; NSC-26647; AKOS015914982; NSC-344555; AS-76136; NCI60_002143; S310; DB-051459; CS-0132365; D2070; FT-0619861; 1,4-Naphthalenedione, 5,8-dihydroxy- (9CI); 10.14272/RQNVIKXOOKXAJQ-UHFFFAOYSA-N; T70948; 10.14272/RQNVIKXOOKXAJQ-UHFFFAOYSA-N.1; 475D387; AE-641/01108012; doi:10.14272/RQNVIKXOOKXAJQ-UHFFFAOYSA-N; 5,8-Dihydroxy-1,4-naphthoquinone, technical grade; doi:10.14272/RQNVIKXOOKXAJQ-UHFFFAOYSA-N.1; Q4639550; W-109038"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26647	.	.	.	.	190.15	C10H6O4	74.6	277	1.8	14	2	4	0	"InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H"	C1=CC(=C2C(=O)C=CC(=O)C2=C1O)O	RQNVIKXOOKXAJQ-UHFFFAOYSA-N
DG50243	Liriodenine	10144	"Liriodenine; 475-75-2; Oxoushinsunine; Micheline B; Spermatheridine; Oxoushinsunin; Spermatheridin; Ushinsunine, oxo-; 8H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-8-one; Hiriodenine; NSC93681; NSC215254; Noraporphin-7-one, 4,5,6,6a-tetradehydro-1,2-(methylenedioxy)-; Spermatheridine; VLT 045; CHEMBL37736; UNII-E134R7X4O9; CHEBI:70649; E134R7X4O9; 8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one; 3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one; 8H-[1,3]Benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one; 8H-Benzo[g]-1,5,4-de]quinolin-8-one; CCRIS 1549; NSC 93681; NSC 215254; BRN 0273167; Noraporphin-7-one,5,6,6a-tetradehydro-1,2-(methylenedioxy)-; 4-27-00-06585 (Beilstein Handbook Reference); SCHEMBL165803; MEGxp0_001521; ZINC6256; DTXSID40197165; HY-N3376; BDBM50202301; NSC-93681; AKOS028108460; NSC-215254; NCI60_001798; NCI60_042088; CS-0024041; FT-0698453; C09567; A934851; Q5976903; 8H-Benzo[g]-1,3benzodioxolo[6,5,4-de]quinolin-8-one; 8H-[1,3]Benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one #; 8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one (9CI); 3,5-dioxa-11-azapentacyclo[10.7.1.0^{2,6.0^{8,20.0^{14,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	215254	.	.	.	.	275.26	C17H9NO3	48.4	453	3.4	21	0	4	0	"InChI=1S/C17H9NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-7H,8H2"	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53	MUMCCPUVOAUBAN-UHFFFAOYSA-N
DG50244	"6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol"	10170	"BERBAMINE; 478-61-5; 6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol; GNF-Pf-1034; SCHEMBL19041; CHEMBL1198334; CHEBI:182116; BCP29709; MFCD00067632; NSC766769; STK801360; AKOS005612992; AC-1313; MCULE-1680809407; NSC-105131; NSC-766769; 20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-ol; AC-20191; NCI60_000125; DB-050235; FT-0622872; W1165; Q-100513; d-Berbamine pound>>6,6',7-trimethoxy-2,2'-dimethyl-berbaman-12-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105131	.	.	.	.	608.7	C37H40N2O6	72.9	963	6.1	45	1	8	3	"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3"	CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC	DFOCUWZXJBAUSQ-UHFFFAOYSA-N
DG50245	Plumbagin	10205	"Plumbagin; 481-42-5; Plumbagine; 5-Hydroxy-2-methyl-1,4-naphthoquinone; Plumbaein; 2-Methyljuglone; 5-hydroxy-2-methylnaphthalene-1,4-dione; Plumbagone; 1,4-Naphthalenedione, 5-hydroxy-2-methyl-; 5-Hydroxy-2-methyl-[1,4]naphthoquinone; 5-Hydroxy-2-methyl-1,4-naphthalenedione; 2-Methyl-5-hydroxy-1,4-naphthoquinone; UNII-YAS4TBQ4OQ; NSC 236613; NSC 688284; YAS4TBQ4OQ; 5-hydroxy-2-methyl-1,4-dihydronaphthalene-1,4-dione; CHEBI:8273; CHEMBL295316; 1,4-NAPHTHOQUINONE, 5-HYDROXY-2-METHYL-; MFCD00001682; NSC236613; NSC688284; NSC-236613; NSC-688284; 5-Hydroxy-2-methyl-naphthalene-1,4-dione; plumbapin; CCRIS 6671; SR-05000002263; EINECS 207-569-6; BRN 1870475; Ophioxylin; Pumbagin; AI3-38055; ST069355; RTK1; 1, 5-hydroxy-2-methyl-; SCHEMBL34186; BSPBio_002546; 4-08-00-02376 (Beilstein Handbook Reference); Plumbagin from Plumbago indica; SPECTRUM1505129; GTPL7003; PCUR-101; DTXSID8075413; ACon1_001611; ZINC58187; HMS3870L13; WLN: L66 BV EVJ C1 GQ; HY-N1497; BDBM50012070; s4777; STL564479; AKOS015969699; CCG-208032; CCG-208410; MCULE-9327502882; NCGC00094567-01; NCGC00094567-02; NCGC00094567-03; NCGC00094567-04; NCGC00094567-05; NCGC00094567-06; BP-25404; NCI60_001904; PS-11338; R242; DB-051524; CS-0017042; FT-0602795; P1139; 5- HYDROXY,2-METHYL-1,4-NAPHTOQUINONE; A827479; 1,4-Naphthalenedione, 5-hydroxy-2-methyl- (9CI); A1-00788; Q2550553; SR-05000002263-2; SR-05000002263-3; W-202844; BRD-K36137799-001-02-4; BRD-K36137799-001-03-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	236613	.	.	.	.	188.18	C11H8O3	54.4	317	2.3	14	1	3	0	"InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3"	CC1=CC(=O)C2=C(C1=O)C=CC=C2O	VCMMXZQDRFWYSE-UHFFFAOYSA-N
DG50246	Cepharanthine	10206	"CEPHARANTHINE; 481-49-2; Cepharanthin; (+)-Cepharanthine; O-Methylcepharanoline; Cepharantin; Cepharanthine [JAN]; UNII-7592YJ0J6T; NSC-623442; 6',12'-Dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))oxyacanthan; CHEBI:3546; 7592YJ0J6T; NSC623442; Cepharanthine (JAN); (14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19(37),21,23,25(36),31,34-dodecaene; ecaene (non-preferred name); DSSTox_CID_25957; DSSTox_RID_81253; DSSTox_GSID_45957; 22,33-Dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19(37),21,23,25(36),31,34-dodecaene; C37H38N2O6; CAS-481-49-2; CCRIS 6539; SR-01000779734; NSC 623442; BRN 0075231; Cepharanthin,(S); NCGC00095194-01; (14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2~16,19~.1~3,10~.1~21,25~.0~4,8~.0~14,39~.0~31,35~]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dod; Cepharanthine (TN); Spectrum2_000832; Spectrum3_001963; 12-O-Methylcepharanoline; UPCMLD-DP054; BSPBio_003563; 4-27-00-09061 (Beilstein Handbook Reference); MLS000728518; SCHEMBL154545; SPECTRUM1505322; SPBio_000783; CHEMBL449782; DTXSID6045957; UPCMLD-DP054:001; KBio3_002909; Cepharanthine, >=95% (HPLC); Cepharanthine, >=98% (HPLC); HMS1922J12; HMS2232F21; Pharmakon1600-01505322; HY-N6972; Tox21_111483; BBL030154; BDBM50423643; CCG-40294; MFCD00210482; NSC758965; s4238; STK801907; ZINC30726863; AKOS004119865; Oxyacanthan, 6',12'-dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))-; Tox21_111483_1; MCULE-4243165865; NSC-758965; SDCCGMLS-0066893.P001; NCGC00161621-01; NCGC00161621-02; NCGC00161621-03; NCGC00161621-05; NCGC00161621-13; AC-15206; AS-17451; SMR000445632; SBI-0207049.P001; CS-0007138; V0178; C09391; D01035; AB00643356_08; AB00643356_09; 481C492; A871948; Q-100524; SR-01000779734-3; SR-01000779734-4; BRD-K96194081-001-06-0; Q15410888; 6',12'-Dimethoxy-2,2'-dimethyl-6,7-[methylenebis-(oxy)]oxyacanthan; Oxyacanthan, 6',12'-dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))- (9CI); (14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2(16,19).1(3,10).1(21,25).0(4,8).0(14,39).0(31,35)]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaene; (14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2  ,  .1 ,  .1  ,  .0 , .0  ,  .0  ,  ]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758965	.	.	.	.	606.7	C37H38N2O6	61.9	994	6.5	45	0	8	2	"InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1"	CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3	YVPXVXANRNDGTA-WDYNHAJCSA-N
DG50247	"2-Hydroxy-3-methyl-1,4-naphthoquinone"	10221	"Phthiocol; 2-Hydroxy-3-methyl-1,4-naphthoquinone; 483-55-6; Phthiokol; 2-Methyl-3-hydroxy-1,4-naphthoquinone; 3-Hydroxy-2-methyl-1,4-naphthoquinone; UNII-8R72C50E69; 1,4-Naphthoquinone, 2-hydroxy-3-methyl-; 1,4-Naphthalenedione, 2-hydroxy-3-methyl-; NSC11897; 1,4-Naphthalenedione, 2-hydroxy-3-methyl- (9CI); 8R72C50E69; EINECS 207-594-2; NSC 11897; BRN 1868473; 4-hydroxy-3-methylnaphthalene-1,2-dione; Q 1212; 2-Hydroxy-3-methylnaphthalene-1,4-dione; 1,2-Naphthalenedione, 4-hydroxy-3-methyl-; NCIMech_000021; 1, 2-hydroxy-3-methyl-; 4-08-00-02375 (Beilstein Handbook Reference); MLS001049113; SCHEMBL112795; 2-hydroxy-3-methyl-1,4-dihydronaphthalene-1,4-dione; CHEMBL158364; ZINC1936; DTXSID80876664; WLN: L66 BV EVJ CQ D1; 2-Hydroxy-3-methylnaphthoquinone #; CCG-35375; NSC-11897; AKOS006271750; MCULE-8423798363; 2-ME-3-OH-1,4-NAPHTHOQUINONE; 3-Methyl-4-hydroxy-1,2-naphthoquinone; 49797-54-8; NCI60_000454; Q275; SMR000386945; 2-hydroxy-3-methyl-naphthalene-1,4-dione; CS-0148695; SR-01000631229-1; Q27270921"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11897	.	.	.	.	188.18	C11H8O3	54.4	327	1.2	14	1	3	0	"InChI=1S/C11H8O3/c1-6-9(12)7-4-2-3-5-8(7)11(14)10(6)13/h2-5,12H,1H3"	CC1=C(C2=CC=CC=C2C(=O)C1=O)O	BGVCGTNXEKDVCB-UHFFFAOYSA-N
DG50248	Bialamicol	10304	"BIALAMICOL; Camoform; Biallylamicol; 493-75-4; UNII-TA5NM093QJ; Bialamicol hydrochloride; CT 871; Camoform hydrochloride; TA5NM093QJ; PAA-701; GNF-Pf-4303; Biallylamicol hydrochloride; PAA 701 dihydrochloride; Biallylamicol dihydrochlorde; 2-(diethylaminomethyl)-4-[3-(diethylaminomethyl)-4-hydroxy-5-prop-2-enylphenyl]-6-prop-2-enylphenol; CAM-807; CI 301; Bialamicolum; NSC6386; CI-301; Bialamicol [INN:BAN]; 3624-96-2; Bialamicolum [INN-Latin]; (1,1'-Biphenyl)-4,4'-diol, 3,3'-bis((diethylamino)methyl)-5,5'-di-2-propenyl-; [1,1'-Biphenyl]-4,4'-diol, 3,3'-bis[(diethylamino)methyl]-5,5'-di-2-propenyl-; PAA 701; SN 6771; SCHEMBL483160; CHEMBL1197792; DTXSID60197763; CHEBI:135712; 5,5'-Diallyl-3,3'-bis(diethylaminomethyl)-4,4'-diphenyldiol; ZINC4215006; 5,5'-Diallyl-alpha,alpha'-bis(diethylamino)-n,n'-bitolyl-4,4'-diol; AKOS024263956; SN-6771; 3,3'-Bis((diethylamino)methyl)-5,5'-di-2-propenyl-(1,1'-biphenyl)-4,4'-diol; NCI60_012898; Q27289865; 3,3'-Diallyl-5,5'-bis[(diethylamino)methyl][1,1'-biphenyl]-4,4'-diol #; 5,5'-Diallyl-.alpha.,.alpha.'-bis(diethylamino)-m,m'-bitolyl-4,4'-diol; 2-allyl-4-[3-allyl-5-(diethylaminomethyl)-4-hydroxy-phenyl]-6-(diethylaminomethyl)phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6386	.	.	.	.	436.6	C28H40N2O2	46.9	498	6.1	32	2	4	13	"InChI=1S/C28H40N2O2/c1-7-13-21-15-23(17-25(27(21)31)19-29(9-3)10-4)24-16-22(14-8-2)28(32)26(18-24)20-30(11-5)12-6/h7-8,15-18,31-32H,1-2,9-14,19-20H2,3-6H3"	CCN(CC)CC1=CC(=CC(=C1O)CC=C)C2=CC(=C(C(=C2)CN(CC)CC)O)CC=C	DQNIWUUHJSXGHW-UHFFFAOYSA-N
DG50249	Podofilox	10607	"podophyllotoxin; Podofilox; 518-28-5; Condylox; Condyline; (-)-Podophyllotoxin; Wartec; Podophyllinic acid lactone; Podophyllotoxin 7; Warticon; Podophyllum; Podofilox [USAN]; UNII-L36H50F353; NSC24818; CHEMBL61; MFCD00075290; (10R,11R,15R,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-12-one; (5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; MLS000069495; (5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one; CHEBI:50305; Podofilox (USAN); NSC-24818; L36H50F353; NCGC00022001-05; Podofilm; SMR000059121; NSC 24818; DSSTox_CID_25645; DSSTox_RID_81023; DSSTox_GSID_45645; (5R,5aR,8aR,9R)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one; (5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one; Podocon-25; Podophilox; (5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one; CCRIS 565; HSDB 7238; SR-05000001749; MLS002702981; EINECS 208-250-4; Podofillina; Podophylotoxin; AI3-50456; Mayapple isolate; Condylox (TN); (5R,5aR,8aR,9R)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one; CAS-518-28-5; Podophyllotoxin,(S); Prestwick_1018; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R-(5alpha,5abeta,8aalpha,9alpha))-; Podofillina [Italian]; Podophyllotoxin (BAN); Podophyllotoxin, 95%; Spectrum_000199; Opera_ID_1397; Prestwick0_000782; Prestwick1_000782; Prestwick2_000782; Prestwick3_000782; Spectrum2_000878; Spectrum4_000592; Spectrum5_001368; UPCMLD-DP035; SCHEMBL42243; BSPBio_000884; BSPBio_002352; KBioGR_001084; KBioSS_000679; MLS001148204; MLS002172467; MLS006010754; MLS006011412; BIDD:GT0123; DivK1c_000292; UNII-16902YVY2B; SPBio_000955; SPBio_002823; BPBio1_000974; CCRIS 4391; DTXSID3045645; UPCMLD-DP035:001; UPCMLD-DP035:002; BCBcMAP01_000165; HMS500O14; KBio1_000292; KBio2_000679; KBio2_003247; KBio2_005815; AMY2648; NINDS_000292; 16902YVY2B; HMS1570M06; HMS2093P16; HMS2097M06; HMS2235A23; HMS3259J19; HMS3714M06; Pharmakon1600-02300332; (5R,5aR,8aR,9R)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-furo(3',4':6,7)naphtho[2,3-d]-1,3-dioxol-6(5aH)-one; 9-Hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one; ALBB-020906; BCP24085; Podophyllotoxin, analytical standard; ZINC3861806; EINECS 232-546-2; Tox21_110874; Tox21_202922; B18-5C; BBL033695; BDBM50035218; CCG-39894; NSC759591; STK801918; AKOS000265559; Tox21_110874_1; AC-1656; CS-1185; DB01179; KS-1281; MCULE-9617461427; NC00675; ND-1185; NSC-759591; SDCCGMLS-0066888.P001; IDI1_000292; SMP1_000243; NCGC00022001-03; NCGC00022001-07; NCGC00022001-08; NCGC00022001-09; NCGC00022001-10; NCGC00022001-11; NCGC00022001-13; NCGC00022001-14; NCGC00260468-01; (5R,9R,5aR,8aR)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,9,5a,8a-pentahydro-2H -isobenzofurano[5',6'-2,1]benzo[4,5-d]1,3-dioxolan-6-one; 1,3,3a,4,9,9a-Hexahydro-9-hydroxy-6,7-(methylenedioxy)-4-(3',4',5'-trimethoxyphenyl)benz(f)isobenzofuran-3-one; HY-15552; NCI60_001981; RD4-6269; EN300-52746; D05529; P-6980; 518P285; A828801; Q421193; SR-01000003030; SR-01000003030-3; SR-05000001749-1; SR-05000001749-2; BRD-K47869605-001-05-6; BRD-K47869605-001-18-9; Z1258578359; (10R,11R,15R,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0 , .0  ,  ]hexadeca-1(9),2,7-trien-12-one; (5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one; (5R,5aR,8aR,9R)-5-oxidanyl-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; 11016-28-7; 5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]; furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR,9R)-; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]-; Naphtho[2,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl-, .gamma.-lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24818	.	.	.	.	414.4	C22H22O8	92.7	629	2	30	1	8	4	"InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O	YJGVMLPVUAXIQN-XVVDYKMHSA-N
DG50250	Dichloromethotrexate	10713	"Dichloroamethopterin; DICHLOROMETHOTREXATE; Methotrexate, dichloro-; NSC 29630; 3,5-Dichloromethotrexate; 528-74-5; 3',5'-Dichloroamethopterin; Amethopterin, 3',5'-dichloro-; NCI-C04875; 3',5'-Dichloromethotrexate; 3988 B 129-4; 3988-B-129-4; UNII-29NS58S465; 3',5'-Dichloro-4-amino-4-deoxy-N(sup10)-methylpteroglutamic acid; N-(3,5-Dichloro-4-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)glutamic acid; 29NS58S465; NSC-29630; (3,5-dichloro-4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzoyl)-L-glutamic acid; L-Glutamic acid, N-(3,5-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-; L-Glutamic acid, N-[3,5-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-; CCRIS 4602; BRN 0073523; NSC29630; 3',5'-Dichloro-4-amino-4-deoxy-N(sup 10)-methylpteroglutamic acid; N-(3,5-dichloro-4-((2,4-diamino-6-pteridinyl)methyl)methyl)methylaminobenzoylglutamic acid; 4-26-00-03834 (Beilstein Handbook Reference); CHEMBL3137680; DTXSID3024996; SCHEMBL10653854; ZINC2015690; Glutamic acid, N-(3,5-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-; (2S)-2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid; (2S)-2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid; 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid; Glutamic acid, N-(3,5-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, L- (8CI); Glutamic acid, N-[3,5-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L-; L-Glutamic acid, N-(3,5-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- (9CI); L-Glutamic acid, N-[[(2,4-diamino-6-pteridinyl)methyl][methyl]amino]-3,5-dichlorobenzoyl]-; N-(3,5-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- L-Glutamic acid; N-(3,5-Dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl](methyl)amino]benzoyl)glutamic acid #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	29630	.	.	.	.	523.299	C20H20Cl2N8O5	211	770	-0.1	35	5	12	9	"InChI=1S/C20H20Cl2N8O5/c1-30(7-9-6-25-17-14(26-9)16(23)28-20(24)29-17)15-10(21)4-8(5-11(15)22)18(33)27-12(19(34)35)2-3-13(31)32/h4-6,12H,2-3,7H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)/t12-/m0/s1"	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Cl)C(=O)N[C@@H](CCC(=O)O)C(=O)O)Cl	MCEHFIXEKNKSRW-LBPRGKRZSA-N
DG50251	Acetylenedicarboxamide	10971	Cellocidin; ACETYLENEDICARBOXAMIDE; 2-Butynediamide; 543-21-5; Lenamycin; but-2-ynediamide; Aquamycin; Renamycin; Acetylene dicarboxamide; Acetylenedicarboxylic acid diamide; Acetylendicarbonsaeureamid; NSC65381; NSC 65381; UNII-1K327HA41T; NSC-65381; CHEBI:51763; 1K327HA41T; WLN: ZV1UU1VZ; Acetylendicarbonsaeureamid [German]; NSC 38643; BRN 1756134; Acetylendicarboxamid; NCIMech_000799; But-2-ynedioic acid diamide; SCHEMBL1003846; CHEMBL1978380; DTXSID1060261; NSC38643; ZINC1670806; CCG-35858; MFCD00017146; NSC#65381; NSC-38643; AKOS004907748; MCULE-4585775503; NSC# 65381; NCI60_003686; NCI60_018708; 5-SULFO-2-AMINOBENZOICACIDSODIUMSALT; DB-007232; FT-0602756; A830097; Q5058318; 102489-37-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38643	.	.	.	.	112.09	C4H4N2O2	86.2	165	-1.2	8	2	2	0	"InChI=1S/C4H4N2O2/c5-3(7)1-2-4(6)8/h(H2,5,7)(H2,6,8)"	C(#CC(=O)N)C(=O)N	JBTGHKUTYAMZEZ-UHFFFAOYSA-N
DG50252	Agrocybin	11004	"Agrocybin; 8-Hydroxy-2,4,6-octatriynamide; 8-hydroxyocta-2,4,6-triynamide; UNII-A0AFV4JUIT; 544-44-5; A0AFV4JUIT; NSC636326; BRN 1761957; 2,4,6-OCTATRIYNAMIDE, 8-HYDROXY-; 4-03-00-01047 (Beilstein Handbook Reference); SCHEMBL1654320; CHEMBL1967731; DTXSID20202786; ZINC5722724; LMFA08010027; AKOS006341004; NSC-636326; NCI60_012071"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636326	.	.	.	.	147.13	C8H5NO2	63.3	341	-0.3	11	2	2	2	"InChI=1S/C8H5NO2/c9-8(11)6-4-2-1-3-5-7-10/h10H,7H2,(H2,9,11)"	C(C#CC#CC#CC(=O)N)O	OXONWCQUZYDTNF-UHFFFAOYSA-N
DG50253	Quinine (Hydrobromide)	11068	"Quinine (Hydrobromide); MLS002638287; NSC12865; Cinchonan-9-ol, 6'-methoxy-, monohydrobromide, (8alpha,9R)- (9CI); Quinine, hydrate; Quinine, hydrobromide, hydrate; SCHEMBL1694090; CHEMBL1881104; NSC-12865; SMR001547776; 4-Quinolinemethanol, 6-methoxy-.alpha.-5-vinyl-2-quinuclidinyl hydrobromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12865	.	.	.	.	405.3	C20H25BrN2O2	45.6	457	.	25	2	4	4	"InChI=1S/C20H24N2O2.BrH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H"	COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.Br	HDZGBIRSORQVNB-UHFFFAOYSA-N
DG50254	Resazurin	11077	"RESAZURIN; Diazoresorcinol; 550-82-3; Azoresorcin; Resazurine; Resazoin; 7-Hydroxy-3H-phenoxazin-3-one 10-oxide; Alamar blue; UNII-1FN9YD6968; 7-hydroxy-10-oxidophenoxazin-10-ium-3-one; 3H-Phenoxazin-3-one, 7-hydroxy-, 10-oxide; 7-Hydroxy-3-oxo-3H-phenoxazine 10-oxide; CHEBI:8806; 1FN9YD6968; 153796-08-8; Resazurinsodiumsalt; 3H-Phenoxazin-3-one, 10-oxide; WLN: T C666 BN FV IOJ BO LQ; EINECS 208-987-1; NSC 10438; BRN 0221382; 7-Hydroxy-3H-fenoxazin-3-on-10-oxid [Czech]; 7-Hydroxy-3H-fenoxazin-3-on-10-oxid; MolMap_000044; SCHEMBL6338; 4-27-00-03594 (Beilstein Handbook Reference); SCHEMBL1502340; CHEMBL1616414; DTXSID4060280; NSC10438; NSC56323; ZINC3793896; MFCD00066739; NSC-10438; NSC-56323; 7-hydroxy-3h-phenoxazin-3-one-10-oxide; BS-28553; NCI60_000106; 7-hydroxy-10-oxido-phenoxazin-10-ium-3-one; D84267; Q409628"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10438	.	.	.	.	229.19	C12H7NO4	75.3	463	-0.1	17	1	4	0	"InChI=1S/C12H7NO4/c14-7-1-3-9-11(5-7)17-12-6-8(15)2-4-10(12)13(9)16/h1-6,14H"	C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=[N+]2[O-]	PLXBWHJQWKZRKG-UHFFFAOYSA-N
DG50255	Thonzonium bromide	11102	"THONZONIUM BROMIDE; 553-08-2; Thonzonium (bromide); Tonzonium bromide; Thonzide; UNII-JI2B19CR0R; NC 1264; JI2B19CR0R; MLS002154065; N-(2-((4-Methoxybenzyl)(pyrimidin-2-yl)amino)ethyl)-N,N-dimethylhexadecan-1-aminium bromide; NSC-5648; hexadecyl-[2-[(4-methoxyphenyl)methyl-pyrimidin-2-ylamino]ethyl]-dimethylazanium;bromide; SMR001233380; Tonzonium bromide (INN); Tonzonium bromide [INN]; DSSTox_CID_25326; DSSTox_RID_80805; DSSTox_GSID_45326; Tonzonii bromidum; Hexadecyl(2-((p-methoxybenzyl)-2-pyrimidinylamino)ethyl)dimethylammonium bromide; Hexadecyl(2-[(p-methoxybenzyl)-2-pyrimidinylamino]ethyl)dimethylammonium bromide; Bromuro de tonzonio; Bromure de tonzonium; SR-01000841261; NCGC00016507-01; CAS-553-08-2; Tonzoniumbromid; Nebair; Tonzonii bromidum [INN-Latin]; Thonzonium bromide [USAN:USP]; Hexadecyl[2-[(p-methoxybenzyl)-2-pyrimidinylamino]ethyl]dimethylammonium bromide; Bromure de tonzonium [INN-French]; Bromuro de tonzonio [INN-Spanish]; Thonzide (TN); NSC 5648; EINECS 209-032-1; Thonzonium Bromide (USAN); SCHEMBL60801; C32H55N4O.Br; REGID_for_CID_11102; CHEMBL1200883; DTXSID1045326; NSC5648; HMS1570J12; HMS2097J12; HMS2234H11; HMS3714J12; Pharmakon1600-01503873; HY-B1246; Tox21_110463; 2755AH; MFCD00133855; NSC760359; AKOS026750378; Tox21_110463_1; CCG-213228; CS-4957; NC-1264; NSC-760359; SB60438; NCGC00016507-05; D02140; A913807; Q7795979; SR-01000841261-2; SR-01000841261-3; Cetyl[2-[(p-methoxybenzyl)-2-pyrimidinylamino]ethyl]dimethylammonium bromide; Ammonium, hexadecyl(2-((p-methoxybenzyl)-2-pyrimidinylamino)ethyl)dimethyl-, bromide (8CI); HEXADECYL[2-([P-METHOXYBENZYL]-2-PYRIMIDINYLAMINO)ETHYL]DIMETHYL-AMMONIUM BROMIDE; HEXADECYL[2-([P-METHOXYBENZYL]-2-PYRIMIDINYLAMINO)ETHYL]DIMETHYL-AMMONIUMBROMIDE; 1-Hexadecanaminium, N-(2-(((4-methoxyphenyl)methyl)-2-pyrimidinylamino)ethyl)-N,N-dimethyl-, bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5648	.	.	.	.	591.7	C32H55BrN4O	38.2	515	.	38	0	5	22	"InChI=1S/C32H55N4O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30;/h19-25H,5-18,26-29H2,1-4H3;1H/q+1;/p-1"	CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2.[Br-]	WBWDWFZTSDZAIG-UHFFFAOYSA-M
DG50256	p-Toluquinone	11122	"p-Toluquinone; 553-97-9; Methyl-p-benzoquinone; 2-METHYL-1,4-BENZOQUINONE; 2-methylcyclohexa-2,5-diene-1,4-dione; Toluquinone; 2-Methyl-p-benzoquinone; Methyl-1,4-benzoquinone; Tolylquinone; 2-Methylbenzoquinone; 2-Methylquinone; Methylbenzoquinone; 1,4-Toluquinone; Methylquinone; p-Benzoquinone, 2-methyl-; 2,5-Cyclohexadiene-1,4-dione, 2-methyl-; 2-Methyl-1,4-quinone; 2-Methylbenzoquinone-1,4; 1,4-Toluchinon; 2-Methyl-2,5-cyclohexadiene-1,4-dione; UNII-VF06HB6AZN; 2-Methyl-1,4-benzochinon; 2-Methyl-[1,4]benzoquinone; NSC 405002; VF06HB6AZN; MFCD00001603; para-Toluquinone; 2,4-dione, 2-methyl-; WLN: L6V DVJ B1; Methyl-p-benzoquinone, 99%; Toluquinone (VAN); 1,4-Toluchinon [Czech]; CCRIS 7148; 1,4-Benzoquinone, 2-methyl-; HSDB 5495; 2-Methyl-1,4-benzochinon [Czech]; EINECS 209-056-2; 2-Methylbenzo-1,4-quinone; Toluchinon; AI3-14931; Methyl-p-quinone; 2-Methyl-p-quinone; 2-methyl benzoquinone; NSC1; NSC-1; SCHEMBL49207; Methyl-p-benzoquinone, 98%; 2-Methylbenzo-1,4-quinone #; CHEMBL358225; DTXSID8060290; 2-methyl-1,4-benzoquinone, 9; BDBM24780; ZINC80829; BBL037012; NSC405002; STK006340; AKOS000492981; MCULE-9650878933; NSC-405002; AS-15293; O815; 3-CHLORO-2-HYDROXYPROPYLMETHACRYLATE; FT-0652794; M0159; T1244; A830622; W-105565; Q27291795"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1	.	.	.	.	122.12	C7H6O2	34.1	221	0.7	9	0	2	0	"InChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3"	CC1=CC(=O)C=CC1=O	VTWDKFNVVLAELH-UHFFFAOYSA-N
DG50257	"2,2'-Bioxirane"	11254	"2,2'-Bioxirane; Diepoxybutane; 1,3-Butadiene diepoxide; 1464-53-5; Butadiene diepoxide; Butadiene dioxide; Dioxybutadiene; Bioxirane; Butane diepoxide; 1,2:3,4-DIEPOXYBUTANE; Bioxiran; 2-(oxiran-2-yl)oxirane; Butadiendioxyd; 1,2:3,4-Butadiene diepoxide; Butane, 1,2:3,4-diepoxy-; 1,2,3,4-Diepoxybutane; RCRA waste number U085; 1,1'-Bi(ethylene oxide); 1,1'-Bi[ethylene oxide]; Erythritol anhydride; CB 1181; NSC 629; Threitol, 1,2:3,4-dianhydro-; R 181; ENT-26592; M 8838; D,L-Diepoxybutane; CHEBI:23704; D,L-1,2:3,4-Diepoxybutane; 298-18-0; UNII-60OB65YNAB; Butadiendioxyd [German]; 2,2'-Bioxirane, (2R,2'R)-rel-; CCRIS 234; Butane,2:3,4-diepoxy-; HSDB 4046; EINECS 215-979-1; RCRA waste no. U085; WLN: T3OTJ B- BT3OTJ; BRN 0079833; 1,2,3,4-Diepoxybutane DL; AI3-26592; 564-00-1; 1,4-Diepoxybutane; 2,4-Diepoxybutane; 2,2'-Bioxirane, (R*,R*)-(.+/-.)-; 1,3,4-Diepoxybutane; 1,2:3,4-dianhydrothreitol; Threitol,2:3,4-dianhydro-; 5-19-01-00185 (Beilstein Handbook Reference); NSC629; CHEMBL1964283; DTXSID0041307; 1,3-Butadiene diepoxide, 97%; ZFIVKAOQEXOYFY-UHFFFAOYSA-; NSC-629; 5-(DimEtNmEt)furfuryl alcohol HCl; (A+/-)-1,2;3,4-diepoxy-butane; AKOS017342854; NCI60_009412; 1,3-Butadiene diepoxide, analytical standard; B0234; D3410; FT-0606590; Butane, 1,2:3,4-diepoxy-, (.+/-.)-; J-503880; J-640017; J-800012; Q5274970; ERYTHRITHOL ANHYDRIDE (OLD NAME); 1,3-BUTADIENE DIEPOXIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629	.	.	.	.	86.09	C4H6O2	25.1	61.9	-0.5	6	0	2	1	"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2"	C1C(O1)C2CO2	ZFIVKAOQEXOYFY-UHFFFAOYSA-N
DG50258	C.I. Basic Red 9	11293	"C.I. Basic Red 9; 479-73-2; UNII-20N4C0M8NM; Parafuchsin; 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline; MLS002701900; 20N4C0M8NM; CHEBI:75372; Parasaniline; ParaMagenta; Para Magenta; SMR001565485; NSC10460; 4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methanediyl]dianiline; Homolka's Base; Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-; Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidiene)methyl]-; NSC-10460; Benzenamine, 4,4'-[(4-imino-2,5-cyclohexadien-1-ylidene)methylene]bis-, hydrochloride (1:1); Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidiene)methyl)-; Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-; pararosaniline free base; Neuro_000010; NCIStruc1_001010; NCIStruc2_000958; cid_11293; SCHEMBL825929; CHEMBL1368322; DTXSID5043845; BDBM93926; NCI10460; ZINC3861799; CCG-36728; NCGC00013110; STL257089; AKOS022135417; MCULE-9081723405; NCGC00013110-02; NCGC00096231-01; NCI60_000112; Q421256; 4-(4,4'-diamino-benzhydrylidene)-cyclohexa-2,5-dienone-imine; 4-((4-Aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)phenylamine; 4-[(4-aminophenyl)-(4-imino-1-cyclohexa-2,5-dienylidene)methyl]aniline; [4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]amine; 4-[(4-aminophenyl)-(4-azanylidenecyclohexa-2,5-dien-1-ylidene)methyl]aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10460	.	.	.	.	287.4	C19H17N3	75.9	457	3.3	22	3	3	2	"InChI=1S/C19H17N3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20H,21-22H2"	C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N	AFAIELJLZYUNPW-UHFFFAOYSA-N
DG50259	"2-Hydroxy-4-methyl-2,4,6-cycloheptatrien-1-one"	11424	"4-methyltropolone; 2-Hydroxy-4-methyl-2,4,6-cycloheptatrien-1-one; 583-80-2; NSC628999; 4-Methyl-tropolone; BRN 2040642; 6-Methyltropolone; 2-hydroxy-6-methylcyclohepta-2,4,6-trien-1-one; 4-08-00-00314 (Beilstein Handbook Reference); SCHEMBL4160338; CHEMBL1987832; SCHEMBL16812095; DTXSID90207026; 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-4-METHYL-; ZINC2034665; NSC-628999; NCI60_009411; 2-Hydroxy-6-methyl-2,4,6-cycloheptatrien-1-one; 2-hydroxy-6-methyl-cyclohepta-2,4,6-trien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628999	.	.	.	.	136.15	C8H8O2	37.3	244	1.4	10	1	2	0	"InChI=1S/C8H8O2/c1-6-3-2-4-7(9)8(10)5-6/h2-5H,1H3,(H,9,10)"	CC1=CC(=O)C(=CC=C1)O	OTXSBWFUHZIFLR-UHFFFAOYSA-N
DG50260	"1-Bromo-2,4-dinitrobenzene"	11441	"1-Bromo-2,4-dinitrobenzene; 584-48-5; 2,4-Dinitrobromobenzene; 4-Bromo-1,3-dinitrobenzene; o,p-Dinitrophenyl bromide; 2,4-Dinitrophenyl bromide; BENZENE, 1-BROMO-2,4-DINITRO-; DNBB; 1-bromo-2,4-dinitro-benzene; 2, 4-Dinitrobromobenzene; 1-Bromo-2,4-dinitrobenze; UNII-4MS3FTW380; 4MS3FTW380; CCRIS 1801; NSC 3808; EINECS 209-539-8; AI3-01803; 2,4-dinitro-bromobenzene; bromo-2,4-dinitrobenzene; 2-bromo-1,5-dinitrobenzene; 1-Bromo-2.4-dinitrobenzene; SCHEMBL399325; DTXSID3060403; CHEBI:58999; NSC3808; NSC-3808; ZINC1672863; 1-Bromo-2,4-dinitrobenzene, 97%; BR1306; MFCD00041873; AKOS005258872; AS00266; MCULE-1508660839; AC-10400; AS-58751; K933; DB-010845; D2701; FT-0632441; W-203191; Q27126388; 7238-15-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3808	.	.	.	.	247	C6H3BrN2O4	91.6	224	2.2	13	0	4	0	InChI=1S/C6H3BrN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H	C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br	PBOPJYORIDJAFE-UHFFFAOYSA-N
DG50261	Megestrol acetate	11683	"MEGESTROL ACETATE; 595-33-5; Megace; Megace ES; Niagestin; Megestryl acetate; Megeron; Megestat; Ovaban; Ovarid; Maygace; Pallace; Magestin; BDH 1298; SC 10363; NSC-71423; Volidan; SC10363; UNII-TJ2M0FR8ES; 17alpha-Hydroxy-6-methylpregna-4,6-diene-3,20-dione acetate; 17alpha-Acetoxy-6-dehydro-6-methylprogesterone; 6-Dehydro-6-methyl-17alpha-acetoxyprogesterone; 6-Methyl-6-dehydro-17alpha-acetoxyprogesterone; 17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione 17-acetate; 17-Acetoxy-6-methylpregna-4,6-diene-3,20-dione; 17-(acetyloxy)-6-methylpregna-4,6-diene-3,20-dione; 6-Methyl-17alpha-hydroxy-delta(sup 6)-progesterone acetate; TJ2M0FR8ES; [(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate; 6-Methyl-3,20-dioxopregna-4,6-dien-17-yl acetate; SC-10363; MLS000028633; Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-methyl-; BDH1298; BDH-1298; SMR000058691; DSSTox_CID_20683; DSSTox_RID_79539; DSSTox_GSID_40683; Megestil; 6-Methyl-17alpha-acetoxypregna-4,6-diene-3,20-dione; Ovaban (Veterinary); 6-Methyl-delta(sup 6)-dehydro-17alpha-acetoxyprogesterone; MegestrolAcetate; 6-Methyl-delta(sup 4,6)-pregnadien-17alpha-ol-3,20-dione acetate; (8xi,9xi,10xi,13xi,14xi)-6-methyl-3,20-dioxopregna-4,6-dien-17-yl acetate; 17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione acetate; CCRIS 372; Pregna-4,6-diene-3,20-dione, 17-hydroxy-6-methyl-, acetate; Megestrol-17-acetate; EINECS 209-864-5; Megestin; Megestrol acetole [Progestins]; Megestrol acetate [USAN:USP]; Megestrol acetole; Megestrol-Acetate; Megesterol acetate; 17-alpha-Acetoxy-6-dehydro-6-methylprogesterone; 6-Dehydro-6-methyl-17-alpha-acetoxyprogesterone; 6-Methyl-6-dehydro-17-alpha-acetoxyprogesterone; NCGC00016516-01; (8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate; CAS-595-33-5; Megace (TN); 17alpha-Acetoxy-6-methylpregna-4,6-diene-3,20-dione; 6-Methyl-17-alpha-acetoxypregna-4,6-diene-3,20-dione; 6-Methyl-17-alpha-hydroxy-delta(sup 6)-progesterone acetate; 6-Methyl-6-dehydro-17.alpha.-acetylprogesterone; 6-Methyl-delta(sup 6)-dehydro-17-alpha-acetoxyprogesterone; 6-Methyl-delta4,6-pregnadien-17alpha-ol-3,20-dione acetate; 17.alpha.-Acetoxy-6-dehydro-6-methylprogesterone; 6-Dehydro-6-methyl-17.alpha.-acetoxyprogesterone; 6-Methyl-6-dehydro-17.alpha.-acetoxyprogesterone; Megestrol acetate (USP); Opera_ID_1511; Prestwick0_000956; Prestwick1_000956; Prestwick2_000956; Prestwick3_000956; 6-Methyl-delta(sup 4,6)-pregnadien-17-alpha-ol-3,20-dione acetate; SCHEMBL745; BSPBio_000952; Megestrol 17.alpha.-acetate; MLS000759501; MLS001074091; MLS001424055; par-100,2; SPBio_003101; BPBio1_001048; CHEBI:6723; CHEMBL1201139; DTXSID9040683; BCPP000168; HMS1570P14; HMS2051I20; HMS2090N04; HMS2097P14; HMS2235D16; HMS3714P14; Nia; NSC71423; ZINC4097467; Tox21_110469; Tox21_302360; LMST02030118; MFCD00056470; s1304; AKOS015894927; Tox21_110469_1; BCP9000904; CCG-100899; CS-2065; DB00351; NC00149; 17-Acetoxy-6-methylpregna-4,20-dione; NCGC00024196-03; NCGC00024196-05; NCGC00255456-01; AC-24570; AS-13384; HY-13676; I040; 17.alpha.-Acetoxy-6-methyl-4,20-dione; AB00490013; B1377; 17-Hydroxy-6-methylpregna-4,20-dione acetate; 17.alpha.-Acetoxy-6-methylpregna-4,20-dione; C08151; D00952; D91560; AB00383046-13; AB00383046-14; AB00383046-15; AB00383046_16; Pregna-4,20-dione, 17-(acetyloxy)-6-methyl-; 595M335; A832354; SR-01000000258; Megestrol-17-acetate 100 microg/mL in Acetonitrile; Pregna-4,20-dione, 17-hydroxy-6-methyl-, acetate; Q-201346; Q6808975; SR-01000000258-4; BRD-K19507340-001-03-1; Megestrol acetate, VETRANAL(TM), analytical standard; 17alpha-Acetoxy-6-methyl-4,6-pregnadiene-3,20-dione; Megestrol acetate, analytical standard, for drug analysis; WLN: L E5 B666 OV KU MUTJ A1 E1 FV1 FOV1 L1; 6-Methyl-17.alpha.-hydroxy-.delta.(sup 6)-progesterone acetate; Megestrol acetate, European Pharmacopoeia (EP) Reference Standard; Megestrol acetate, United States Pharmacopeia (USP) Reference Standard; Megesgtrol Acetate, Pharmaceutical Secondary Standard; Certified Reference Material; Megestrol acetate for peak identification, European Pharmacopoeia (EP) Reference Standard; Megestrol acetate for system suitability, European Pharmacopoeia (EP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71423	.	.	.	.	384.5	C24H32O4	60.4	821	3.1	28	0	4	3	"InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1"	CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C	RQZAXGRLVPAYTJ-GQFGMJRRSA-N
DG50262	"2-Chloro-1,3-dinitrobenzene"	11814	"2-Chloro-1,3-dinitrobenzene; 606-21-3; 2,6-DINITROCHLOROBENZENE; 1-Chloro-2,6-dinitrobenzene; Benzene, 2-chloro-1,3-dinitro-; 2-Chloro-1,3-dintrobenzene; 1,3-Dinitro-2-chlorobenzene; 2-chloro-1,3-dinitro-benzene; UNII-LG72RND0AB; MFCD00014689; LG72RND0AB; NSC21276; 1-Chloro-2,3-dinitrobenzene mixture; NSC 21276; HSDB 5432; EINECS 210-107-6; NSC 105590; BRN 0522187; 2, 6-Dinitrochlorobenzene; NCIOpen2_007358; 4-05-00-00744 (Beilstein Handbook Reference); 1-chloro-2, 6-dinitrobenzene; SCHEMBL1460867; CHEMBL2003074; DTXSID3041378; ACN-S003415; AMY20177; ZINC1577556; NSC-21276; NSC105590; STL371283; AKOS015917517; GS-3195; MCULE-8279622979; NSC-105590; SY002936; DB-024444; FT-0601940; 06C213; A832812; Q-200253; Q27282966; 1-Chloro-2,6-dinitrobenzene; 2,6-Dinitrochlorobenzene; 1-Chloro-2, 4-dinitrobenzene and 2-chloro-1,3-dinitrobenzene mixture"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21276	.	.	.	.	202.55	C6H3ClN2O4	91.6	202	1.8	13	0	4	0	InChI=1S/C6H3ClN2O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H	C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]	BPPMIQPXQVIZNJ-UHFFFAOYSA-N
DG50263	CI-501 Pamoate	11870	"TCMDC-125837; CI 501; CI-501 Pamoate; C.I.-501; SCHEMBL537631; CHEMBL588912; WLN: Q B- 2; DTXSID40209737; NSC77830; NCI60_041716; 4,2-dihydro-2,2-dimethyl-s-triazine pamoate; 2-Naphthalenecarboxylic acid,4'-methylenebis[3-hydroxy-, compd. with 1-(4-chlorophenyl)-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine (1:2 with 4,6-diamino-1-(p-chlorophenyl)-1,2-dihydro-2,2-dimethyl-s-triazine (1:2); 2-Naphthalenecarboxylic acid,4'-methylenebis[3-hydroxy-, compd. with 1-(4-chlorophenyl)-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine (1:2); 2-Naphthoic acid,4'-methylenebis[3-hydroxy-, compd. with 4,6-diamino-1-(p-chlorophenyl)-1,2-dihydro-2,2-dimethyl-s-triazine (1:2); 2-Naphthoic acid,4'-methylenebis[3-hydroxy-, compd. with s-triazine, 4,6-diamino-1-(p-chlorophenyl)-1,2-dihydro-2,2-dimethyl-; 4,2-dihydro-2,2-dimethyl-s-triazine compd. with 4,4'-methylenebis[3-hydroxy-2-naphthoic acid (2:1); 4,2-dihydro-2,2-dimethyl-s-triazine compound (2:1) with 4,4'-methylenebis[3-hydroxy-2-naphthoic acid; WLN: L66J CQ DVQ B- 21 &621 T6N CN EN BHJ AR DG& B B DZ FZ & 2 &622 L66J CQ DV"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	77830	.	.	.	.	640.1	C34H30ClN5O6	195	923	.	46	6	7	5	"InChI=1S/C23H16O6.C11H14ClN5/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h1-10,24-25H,11H2,(H,26,27)(H,28,29);3-6H,1-2H3,(H4,13,14,15,16)"	CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O	FFUCUNIBSOIVIA-UHFFFAOYSA-N
DG50264	Pharmakon1600-01500676	12420	SR-05000002064; Pharmakon1600-01500676; NSC-757425; Spectrum2_001084; Spectrum3_001097; Spectrum4_001926; Spectrum5_000849; BSPBio_002774; KBioGR_002272; DivK1c_000905; SPECTRUM1500676; SPBio_001128; SCHEMBL18922524; HMS502N07; KBio1_000905; KBio3_001994; NINDS_000905; HMS1921A22; HMS2092I06; CCG-39760; NSC757425; SDCCGMLS-0066608.P001; IDI1_000905; NCGC00178479-01; NCGC00178479-02; SBI-0051590.P003; AB00052153_02; SR-05000002064-1; SR-05000002064-2; BRD-A68930007-001-02-3; BRD-A68930007-001-03-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757425	.	.	.	.	584.7	C29H44O12	207	1080	-1.7	41	8	12	4	"InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17 ,18+,19+,21 ,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1"	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3(C4[C@@H](C[C@@]5([C@H](CC[C@@]5(C4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)O)CO)O)O)O)O	LPMXVESGRSUGHW-XPXORLBYSA-N
DG50265	Basic violet 14	12447	"Basic violet 14; 632-99-5; Fuchsin basic; Fuchsin; Rosaniline; MAGENTA; Basic magenta; Fuchsine; Basic fuchsine; Fuchsin, basic; C.I. Basic Violet 14; Rosaniline hydrochloride; Rose aniline; Magenta I; Rosaniline chloride; Rosanilinium chloride; Aizen magenta; Methyl fuchsin; Diamond Fuchsin; Mitsui Magenta; Diabasic magenta; Diamond fuchsine; Fuchsine A; Fuchsine G; Fuchsine N; Fuchsine Y; Fuchsine CS; Fuchsine HO; Magenta E; Magenta G; Magenta S; Magenta superfine; Fuchsine Crystals; Fuchsine RTN; Astra fuchsine B; Cerise B; Magenta DP; Magenta PN; Magenta Powder N; Calcozine magenta XX; Orient Basic Magenta; Calcozine fuchsine HO; Calcozine Magenta RTN; Magenta Large Crystals; CI Basic Violet 14; Rosaniline.HCl; Basic magenta E-200; Rosanilinium hydrochloride; Solvent Red 41; rosanilin; C.I. 42510; 12418 Red; Fuchsine base (monohydrochloride); CI 42510; UNII-8UUC89LHB2; CI Basic Violet 14, monohydrochloride; C.I. Basic Violet 14 monohydrochloride; NSC93739; 4-Amino-m-tolyl-bis(4-aminophenyl)methane chloride; 8UUC89LHB2; C.I. Basic Violet 14, monohydrochloride; 58969-01-0; CHEBI:87665; Aniline red; BASIC FUCHSIN HYDROCHLORIDE; DSSTox_CID_1246; Magenta supertine; MFCD00012569; 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline hydrochloride; 4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride; DSSTox_RID_76036; DSSTox_GSID_21246; Benzenamine,4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-2-methyl-, monohydrochloride; Magenta Super Fine; C-WR Violet 8; Calcozine Magenta RIN; Basic Fuchsine (VAN); Magenta base monohydrochloride;Basic Fuchsin monohydrochloride;Rosaniline Base monohydrochloride; CAS-632-99-5; CCRIS 366; Violet zasadita 14 [Czech]; Violet zasadita 14; NSC10466; Manufacture of magenta; HSDB 6192; Fuchsin, basic [USP]; WLN: L6Y DYJ AUYR DZ&R DZ C1& DUM &GH; NCGC00166015-01; EINECS 211-189-6; NSC 10466; NSC 93739; Fucsina; Fucsino; Rosaniline Dyes; AI3-18324; Basic Fuchsin (BV14) Magenta (C.I. 42510); Magentatrade mark; 2-Methyl-4,5-cyclohexadien-1-ylidene)methylene]dianiline hydrochloride; Benzenamine,5-cyclohexadien-1-ylidene)methyl]-2-methyl-, monohydrochloride; 2, .alpha.(sup4)-(p-aminophenyl)-.alpha.(sup4)-(4-imino-2,5-cyclohexadien-1-ylidene)-, monohydrochloride; Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2-methyl-, hydrochloride (1:1); Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-2-methyl-, hydrochloride (1:1); Basic blue 14; Magenta I [Magenta (containing C.I. Basic Red 9)]; (4-(4-Aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride; MAGENTA CRYSTALS; Schiff Reagent Solution; 4-((4-Aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2-methylbenzenamine HCl; SCHEMBL23402; Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2-methyl-, monohydrochloride; C20H19N3.HCl; Basic Violet 14 hydrochloride; Fuchsine basic monohydrochloride; CHEMBL1979636; DTXSID6021246; HY-B1539A; Tox21_112288; Tox21_202790; NSC-10466; NSC-93739; AKOS015902644; BASIC FUCHSIN, BIOLOGICAL STAIN; MCULE-3364364619; NCGC00260336-01; 4-((4-Aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2- methylbenzenamine monohydrochloride; Benzeneamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2-methyl-, monohydrochloride; T322; CS-0013370; FT-0626556; C19252; F-7910; C.I. Basic Violet 14, monohydrochloride (8CI); Q419167; UNII-5P5C03819W component NIKFYOSELWJIOF-SVFFXJIWSA-N; [4-[bis(4-aminophenyl)methylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]azanium;chloride; 4-((4-AMINO-3-ME-PH)(4-AMINO-PH)METHYLENE)-2,5-CYCLOHEXADIEN-1-IMINIUM CHLORIDE; 4-((4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride; 4-[(4-amino-3-methylphenyl)(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-iminium chloride; 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline;hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10466	.	.	.	.	337.8	C20H20ClN3	75.9	515	.	24	4	3	2	"InChI=1S/C20H19N3.ClH/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;/h2-12,23H,21-22H2,1H3;1H"	CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.Cl	AXDJCCTWPBKUKL-UHFFFAOYSA-N
DG50266	"4-[(4-Aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline"	12448	"3248-93-9; Fuchsine Base; Rosaniline base; 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline; MAGENTA BASE; CI Solvent Red 41; C.I. Solvent Red 41; C.I. Basic Violet 14, free base; CI Basic Violet 41, free base; CI 42510B; rosanilin free base; UNII-I8F3948441; CHEMBL220998; CHEBI:87666; 4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline; 4-((4-Aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2-methylbenzenamine; para-Rosaniline; Fuchsive base; I8F3948441; Fuchsin (basic); Magenta base; Rosaniline Base; Waxoline Red A; Waxoline Red A; Fuchsine HF Base; Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2-methyl-; Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-2-methyl-; C.I. 42510 acetate; Brilliant Oil Crimson Base; 4-((4-Aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl)-2-methylaniline; NSC5006; NSC10466; C.I. Solvent Red 41, monoacetate; HSDB 2955; NCGC00166015-01; EINECS 221-832-2; BRN 2814815; basic-fuchsin; C.I. Basic Violet 14- free base (parent); NCIMech_000176; o-Toluidine, 4-((p-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-; Neuro_000040; 2,4-Xylidine, alpha(sup 4)-(p-aminophenyl)-alpha(sup 4)-(4-imino-2,5-cyclohexadien-1-ylidene)-; SCHEMBL238220; CHEMBL4303311; DTXSID0043844; SCHEMBL14948114; ZINC5138592; BBL034707; BDBM50206428; CCG-35316; MFCD00055278; STL280466; 4-((4-Aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl)-o-toluidine; AKOS022127403; ZINC100089805; MCULE-3096256630; NCGC00166015-02; NCI60_042092; DB-048226; FT-0634748; A821298; Q27159811; F8880-7574; 2-Methyl-4-[bis(4-aminophenyl)methylene]-2,5-cyclohexadiene-1-imine; 4-((4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline; 4-[(4-amino-phenyl)-(4-imino-cyclohexa-2,5-dienylidene)-methyl]-2-methyl-phenylamine; 4-[(4-aminophenyl)-(4-azanylidene-3-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]aniline; 4-[(4-aminophenyl)-(4-imino-3-methyl-1-cyclohexa-2,5-dienylidene)methyl]aniline; 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methyl-aniline; Benzenamine, 4-[ (4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-2-methyl-; Benzenamine,4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-2-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5006	.	.	.	.	301.4	C20H19N3	75.9	515	3.7	23	3	3	2	"InChI=1S/C20H19N3/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15/h2-12,23H,21-22H2,1H3"	CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N	YDCMWLQSPFTWCS-UHFFFAOYSA-N
DG50267	Brilliant green	12449	"Brilliant green; 633-03-4; Basic green 1; Malachite Green G; Emerald Green; Diamond Green G; Fast Green J; C.I. Basic Green 1; Brilliant Green B; Brilliant Green G; Brilliant Green P; Brilliant Green Y; Fast Green JJO; Brilliant Green GX; Brilliant Green YN; Brilliant Green BPC; Brilliant Green DSC; Brilliant Green Lake; Brilliant Green YNS; Basic Brilliant Green; Solid Green; Hidaco Brilliant Green; Basic Green V; Brilliant Green Aseptic; Brilliant Green Special; Brilliant Green Sulfate; Brilliant Lake Green Y; Aizen Diamond Green GH; Astra Diamond Green GX; Green EN; Brilliant Green Crystals; Basic Bright Green; Aizen Malachite Green GH; Deorlene Green JJO; Mitsui Brilliant Green GX; Basic Bright Green Sulfate; Brilliant Green Crystals H; Calcozine Brilliant Green G; Brilliant Green BP Crystals; Brilliant Green WP Crystals; ADC Brilliant Green Crystals; Tertrophene Brilliant Green G; Tokyo Aniline Brilliant Green; Brilliant Green B.P.; Avon Green A-4379; 12415 Green; C.I. 42040; UNII-G0L543D370; NSC-5011; Brilliant Tungstate Green Toner GT-288; CHEBI:88173; G0L543D370; [4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium;hydrogen sulfate; Ethanaminium, N-[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, sulfate (1:1); Astrazon Green D; (4-(4-(Diethylamino)benzhydrylene)cyclohexa-2,5-dien-1-ylidene)diethylammonium hydrogen sulphate; Zelen brilantni; Brilliant-grun; Brilliant-grun [German]; Zelen brilantni [Czech]; Zelen smaragdova; Zelen smaragdova [Czech]; Zelen zasadita 1 [Czech]; Zelen zasadita 1; NSC5011; Zelen malachitova G [Czech]; Ethanaminium, N-(4-((4-(diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, sulfate (1:1); Zelen malachitova G; CCRIS 1209; HSDB 6403; NCGC00166123-01; NSC 5011; EINECS 211-190-1; Verde brilhante; Vert Brilliant; Verde Brilliante; N-(4-((4-(diethylamino)phenyl)(phenyl)methylene)cyclohexa-2,5-dienylidene)-N-ethylethanaminium hydrogensulfate; N,N,N',N'-Tetraaethyl-monoaminofuchsoniumhydrogensulfat; Malachit green, Reag.; CI 42040; DSSTox_CID_28626; DSSTox_RID_82896; DSSTox_GSID_48700; SCHEMBL49148; MLS006010016; CHEMBL1790039; DTXSID1048700; C.I. Basic Green 1 (8CI); AMY22375; Brilliant Green, analytical standard; Tox21_113095; AKOS000282984; Brilliant Green, Dye content ~90 %; MCULE-5451046836; (4-(4-(Diethylamino)benzhydrylene)cyclohexa-2,5-dien-1-ylidene)diethylammonium hydrogen sulfate; Ammonium, (4-(p-(diethylamino)-alpha-phenylbenzylidene)-2,5-cyclohexadien-1-ylidene) diethyl-,sulfate (1:1); CAS-633-03-4; LS-15197; N-(4-((4-(Diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethylethanaminium sulfate (1:1); SMR004701091; B0789; FT-0623198; Basic Green 1 100 microg/mL in Acetonitrile; 4-(2-N,N-Dimethylaminoethoxyl)-1-nitrobenzene; B-5500; D88692; Q427105; WLN: L6Y DYJ AUYR&R DN2&2& DUK2&2 &Q &S-O4; 5-Pyrimidinemethanol, a-(2-chlorophenyl)-a-(4-fluorophenyl)-; Ammonium,5-cyclohexadien-1-ylidene]diethyl-, sulfate (1:1); Brilliant Green, certified by the Biological Stain Commission; Ethanaminium,5-cyclohexadien-1-ylidene]-N-ethyl-, sulfate (1:1); 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium hydrogen sulfate; N-(4-((4-(diethylamino)phenyl)(phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium hydrogen sulfate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5011	.	.	.	.	482.6	C27H34N2O4S	92.1	642	.	34	1	5	7	"InChI=1S/C27H33N2.H2O4S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1"	CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.OS(=O)(=O)[O-]	NNBFNNNWANBMTI-UHFFFAOYSA-M
DG50268	Sordinol	12454	CLOPENTHIXOL; Sordinol; (Z)-Clopenthixol; 982-24-1; 2-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol; N-746; AY 62021; NSC64087; Prestwick0_000998; Prestwick1_000998; SCHEMBL121819; SPBio_002986; CHEMBL3989892; DTXSID9048223; AKOS030242398; NCI60_013633; Q413000	.	.	Investigative Drug(s)	Investigative	Small molecular drug	64087	.	.	.	.	401	C22H25ClN2OS	52	509	4.3	27	1	4	5	"InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2"	C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO	WFPIAZLQTJBIFN-UHFFFAOYSA-N
DG50269	Berberine chloride	12456	"berberine chloride; Berberine hydrochloride; 633-65-8; Natural Yellow 18; Benzodioxide; Berberinium chloride; Berberine HCl; Berberine (chloride); UNII-UOT4O1BYV8; Berberin  hydrochloride; 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride; MFCD00011939; UOT4O1BYV8; NSC-163088; MLS002702530; Natural Yellow 18 (chloride); CHEBI:31271; NSC163088; 633-65-8 (CHLORIDE); NSC-646666; DSSTox_CID_4602; Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, chloride; 5,6-Dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium chloride; Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride; DSSTox_RID_77465; DSSTox_GSID_24602; Berberinium chloride hydrate; CHEMBL12089; Berberine chloride [JAN]; GNF-PF-4545; 16,17-dimethoxy-5,7-dioxa-13$l^{5}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium chloride; SMR001233240; NSC646666; Berberine chloride form; SR-01000711827; NCGC00016526-02; NCGC00016526-07; CAS-633-65-8; EINECS 211-195-9; NSC 163088; Berberine chloride, primary pharmaceutical reference standard; Berberinum; C20H18NO4.Cl; AI3-61834; CCRIS 8656; Prestwick_91; Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride (1:1); Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride (1:1); Barberry Root Extract; NSC 646666; dimethoxy[ ] chloride; Berberine chloride (TN); Berberine Hydrochloride,(S); MLS002153890; SCHEMBL153906; SPECTRUM1500811; Berberine Hydrochloride Hydrate; DTXSID8024602; HMS500N07; CHEBI: 16118; HMS1569F14; HMS1921I18; HMS2096F14; HMS2210A06; HMS2235H16; HMS3336C05; HMS3373L14; HMS3655F20; Pharmakon1600-01500811; Tox21_110474; Tox21_200348; AC-118; CCG-39622; NSC757795; s2271; AKOS007930622; Tox21_110474_1; CS-3214; KS-5294; MCULE-7356741555; NSC-757795; 5,6-Dihydro-9,10-dimethoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium chloride hydrate; Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, chloride; NCGC00091896-01; NCGC00094858-01; NCGC00094858-02; NCGC00257902-01; 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;chloride; HY-18258; SY076593; CAS: 638-65-8; B0450; FT-0622874; N1699; SW196403-2; A834344; Berberine chloride hydrate, technical, >=90% (AT); Q-100261; Q-100731; SR-01000711827-4; SR-01000711827-6; Z2768724441; Berberine chloride, British Pharmacopoeia (BP) Reference Standard; Berberine chloride, European Pharmacopoeia (EP) Reference Standard; Benzo[g]-1,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride; Berberine chloride, United States Pharmacopeia (USP) Reference Standard; 5,6-dihydro-9,10-dimethoxy-1,3-benzodioxolo[5,6-a]benzo[g]quinolizinium chloride (1:1); Berberine Chloride, Pharmaceutical Secondary Standard; Certified Reference Material; Berbinium,8,13,13a-tetradehydro-9.10-dimethoxy-2,3-(methylene dioxy)-, chloride; 16,17-dimethoxy-5,7-dioxa-13lambda5-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15(20),16,18-octaen-13-ylium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163088	.	.	.	.	371.8	C20H18ClNO4	40.8	488	.	26	0	5	2	"InChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1"	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[Cl-]	VKJGBAJNNALVAV-UHFFFAOYSA-M
DG50270	Triphenyltin chloride	12540	"TRIPHENYLTIN CHLORIDE; Fentin chloride; 639-58-7; Chlorotriphenyltin; Chlorotriphenylstannane; Stannane, chlorotriphenyl-; Triphenylchlorotin; chloro(triphenyl)stannane; Brestanol; TPTC; Triphenylchlorostannane; Aquatin; Tinmate; Phenostat-C; General chemicals 8993; Aquatin 20 EC; Chlorotriphenyl tin; HOE 2872; GC 8993; LS 4442; NSC 1214; UNII-I1L80IDY27; NSC 43675; triphenylstannanylium;chloride; I1L80IDY27; NSC43675; WLN: G-SN-R&R&R; Tripenyltin chloride; Caswell No. 896D; Fentin chloride [ISO]; CCRIS 6325; HSDB 6404; C18H15ClSn; EINECS 211-358-4; EPA Pesticide Chemical Code 496500; TRIPHENYL TIN CHLORIDE; Fentin-chloride; AI3-25207; TRIPHENYLTIN(IV) CHLORIDE; Tin, chlorotriphenyl-,; triphenylstannylium chloride; chloranyl(triphenyl)stannane; DSSTox_CID_20733; Triphenyltin chloride, 95%; DSSTox_GSID_40733; SCHEMBL67729; DTXSID2040733; CHEBI:35036; NSC1214; NSC-1214; Tox21_303984; MFCD00000519; NSC-43675; AKOS015916192; ZINC169743172; NCGC00164354-01; NCGC00357207-01; CAS-639-58-7; M999; NCI60_004017; DB-054584; FT-0632721; A834590; Triphenyltin Chloride 1000 microg/mL in Methanol; Fentin chloride, PESTANAL(R), analytical standard; Q7843282; BRD-K78683072-001-01-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43675	.	.	.	.	385.5	C18H15ClSn	0	240	.	20	0	0	3	InChI=1S/3C6H5.ClH.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1	C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)Cl	NJVOZLGKTAPUTQ-UHFFFAOYSA-M
DG50271	gamma-Thujaplicin	12649	"gamma-Thujaplicin; 5-Isopropyltropolone; 672-76-4; gamma-Thujaplicine; THUJAPLICIN, ALPHA; .gamma.-Thujaplicin; 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(1-methylethyl)-; NSC43338; .gamma.-Thujaplicine; 2-Hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one; NSC402794; 2-hydroxy-5-propan-2-ylcyclohepta-2,4,6-trien-1-one; MLS002608534; MLS002702822; CHEMBL1275999; CHEBI:10578; NSC18805; 2-hydroxy-5-isopropyl-cyclohepta-2,4,6-trien-1-one; WLN: L7VJ BQ EY1&1; SMR001527281; 2,6-Cycloheptatrien-1-one, 2-hydroxy-5-isopropyl-; NSC 18805; NSC 43338; NSC 402794; BRN 2044323; 2,6-Cycloheptatrien-1-one, 2-hydroxy-5-(1-methylethyl)-; AI3-28399; 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-isopropyl-; Thujaplicin, .alpha.; THUJAPLICIN, A-; NCIMech_000101; 2-Hydroxy-5-isopropyl- 2,4,6-cycloheptatrienone; 4-08-00-00495 (Beilstein Handbook Reference); DTXSID2060969; SCHEMBL10668692; ZINC899531; BDBM50330795; CCG-35377; NSC-18805; NSC-43338; AKOS006276241; NSC-402794; NCI60_001566; FT-0657915; C09905; A835689; 2-Hydroxy-5-isopropylcyclohepta-2,4,6-trien-1-one; 2-hydroxy-5-isopropyl-2,4,6-cycloheptatriene-1-one; Q27108661; 2-Hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one #; 2-hydroxy-5-propan-2-yl-1-cyclohepta-2,4,6-trienone; 2-oxidanyl-5-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-5-(propan-2-yl)cyclohepta-2,4,6-trien-1-one; 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-isopropyl- (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18805	.	.	.	.	164.2	C10H12O2	37.3	280	1.9	12	1	2	1	"InChI=1S/C10H12O2/c1-7(2)8-3-5-9(11)10(12)6-4-8/h3-7H,1-2H3,(H,11,12)"	CC(C)C1=CC=C(C(=O)C=C1)O	WKEWHSLZDDZONF-UHFFFAOYSA-N
DG50272	2-Piperidone	12665	"2-Piperidone; piperidin-2-one; 675-20-7; 2-Piperidinone; DELTA-VALEROLACTAM; Piperidone; Valerolactim; 5-Pentanolactam; Piperidinone; Piperidon; Valerolactam; alpha-Piperidone; Piperidone-2; PIPERIDONE,2-; 2-Azacyclohexanone; .alpha.-Piperidone; Piperidon [German]; Pentanoic acid, 5-amino-, lactam; .delta.-Valerolactam; UNII-WLN0GQQ6EK; 2-oxopiperidine; A-Piperidone; 2-oxo-piperidine; NSC 2305; NSC 18894; WLN0GQQ6EK; MFCD00006037; 2-Piperidinone, homopolymer; CHEMBL12193; CHEBI:77761; NSC18894; Piperidon (german); Pentanoic acid, lactam; WLN: T6NVTJ; Piperidones; Piperidone-2 [French]; d-Valerolactam; 25036-00-4; EINECS 211-622-9; ketopiperidine; oxopiperidine; 5-pentanelactam; 2-piperadinone; AI3-33342; d-Valero-lactam; piperadine-2-one; piperidine-2-one; V1L; 5-amino-lactam-Pentanoate; delta-Valerolactam, 98%; BDBM10; 27154-43-4; 5-amino-lactam-Pentanoic acid; piperidin-2-one;2-Piperidone; DTXSID1060976; NSC2305; BCP00878; NSC-2305; ZINC3860817; BBL027557; NSC-18894; STL281850; AKOS005206867; ACN-029774; CS-W022933; HY-W042193; MCULE-9168245534; SB41073; AC-15619; AC-33837; NCI60_001574; SY011119; DB-031244; A9047; AM20100626; FT-0613368; P0455; EN300-24025; F10312; 675V207; Q4596918; W-104710; F0001-1780; Z1201023039"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18894	.	.	.	.	99.13	C5H9NO	29.1	80.1	-0.5	7	1	1	0	"InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)"	C1CCNC(=O)C1	XUWHAWMETYGRKB-UHFFFAOYSA-N
DG50273	Dibutyltin dichloride	12688	"DIBUTYLTIN DICHLORIDE; 683-18-1; Dibutyldichlorostannane; Stannane, dibutyldichloro-; Di-n-butyltin dichloride; Dibutyldichlorotin; Dibutyltin chloride; Dichlorodibutyltin; dibutyl(dichloro)stannane; Dichlorodibutylstannane; Dibutyl tin dichloride; Chlorid di-n-butylcinicity; Di-n-butyl-zinn-dichlorid; UNII-J4AQN88R8P; Stannane, dibutyldichloro; J4AQN88R8P; DSSTox_CID_7292; DSSTox_RID_78390; DSSTox_GSID_27292; Dibutylstannium dichloride; C8H18Cl2Sn; Tin, dibutyl-, dichloride; CAS-683-18-1; CCRIS 6321; HSDB 6071; Chlorid di-n-butylcinicity [Czech]; NSC 2604; Di-n-butyl-zinn-dichlorid [German]; EINECS 211-670-0; dibutyl tin chloride; MFCD00000518; Bu2SnCl2; dibutyl-tin-dichloride; (DBTC); EC 211-670-0; Dibutyltin dichloride, 96%; SCHEMBL37123; dibutyl-bis(chloranyl)stannane; D.B.T.C.; WLN: G-SN-G4&4; DTXSID8027292; NSC2604; NSC-2604; Tox21_201675; Tox21_303112; AKOS015839512; ZINC169743073; NCGC00164348-01; NCGC00164348-02; NCGC00164348-03; NCGC00257160-01; NCGC00259224-01; M266; NCI60_002078; DB-055133; FT-0632794; D95356; Dibutyltin dichloride, purum, >=97.0% (AT); A836096; Q18411326"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2604	.	.	.	.	303.84	C8H18Cl2Sn	0	84.1	.	11	0	0	6	"InChI=1S/2C4H9.2ClH.Sn/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;2*1H;/q;;;;+2/p-2"	CCCC[Sn](CCCC)(Cl)Cl	RJGHQTVXGKYATR-UHFFFAOYSA-L
DG50274	"Fluoren-2-amine, 1,3,7-tribromo-"	12885	"1,3,7-Tribromo-9H-fluoren-2-amine; 724-31-2; 1,3,7-Tribromo-2-fluorenamine; FLUOREN-2-AMINE, 1,3,7-TRIBROMO-; NSC56677; 1,3,7-Tribromo-9H-fluoren-2-ylamine; NSC 56677; BRN 2741380; 9H-Fluoren-2-amine, 1,3,7-tribromo-; 3-12-00-03294 (Beilstein Handbook Reference); 1,7-Tribromo-2-fluorenamine; 1,7-Tribromofluoren-2-amine; CHEMBL1996129; 1,3,7-Tribromofluoren-2-amine; Fluoren-2-amine,3,7-tribromo-; DTXSID70222696; ZINC1687554; 9H-Fluoren-2-amine,3,7-tribromo-; NSC-56677; AKOS024432016; MCULE-2705152283; WLN: L B656 HHJ DE EZ FE LE; NCI60_004384; 9H-Fluoren-2-amine, 1,3,7-tribromo- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56677	.	.	.	.	417.92	C13H8Br3N	26	298	4.9	17	1	1	0	"InChI=1S/C13H8Br3N/c14-7-1-2-8-6(3-7)4-10-9(8)5-11(15)13(17)12(10)16/h1-3,5H,4,17H2"	C1C2=C(C=CC(=C2)Br)C3=CC(=C(C(=C31)Br)N)Br	DESWTTXWHWPCJD-UHFFFAOYSA-N
DG50275	Fluorodopan	13268	"Fluorodopan; Ftordopan; Fluoropan; Fluorothane; Fluorpan; Ftorpan; 834-91-3; NSC 73754; UNII-O1EXJ975PT; O1EXJ975PT; 5-[2-chloroethyl(2-fluoroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione; 5-((2-Chloroethyl)(2-fluoroethyl)amino)-6-methyl-2,4(1H,3H)-pyrimidinedione; 5-((2-Chloroethyl)(2-fluoroethyl)amino)-6-methyluracil; Uracil, 5-((2-chloroethyl)-(2-fluoroethyl)amino)-6-methyl-; NSC73754; Fluorodopane; Ftordopane; Uracil, 5-[(2-chloroethyl)-(2-fluoroethyl)amino]-6-methyl-; NCIOpen2_003853; CHEMBL450727; ZINC1469; SCHEMBL13840898; DTXSID60232320; Uracil, 5-((2-chloroethyl)(2-fluoroethyl)amino)-6-methyl-; NSC-73754; 2,4(1H,3H)-Pyrimidinedione, 5-((2-chloroethyl)(2-fluoroethyl)amino)-6-methyl-; NCI60_041616; 2,3H)-Pyrimidinedione, 5-[(2-chloroethyl)(2-fluoroethyl)amino]-6-methyl-; 2,4(1H,3H)-Pyrimidinedione, 5-((2-chloroethyl)(2-fluoroethyl)amino)-6-methyl- (9CI); 5-((2-Chloroethyl)(2-fluoroethyl)amino)-6-methylpyrimidine-2,4(1H,3H)-dione; Uracil, 5-[(2-chloroethyl)-(2-fluoroethyl)amino]-6-methyl-2,4 (1H,3H)-Pyrimidinedione, 5-[(2-chloroethyl)(2-fluoroethyl)amino]-6-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73754	.	.	.	.	249.67	C9H13ClFN3O2	61.4	333	0.7	16	2	4	5	"InChI=1S/C9H13ClFN3O2/c1-6-7(8(15)13-9(16)12-6)14(4-2-10)5-3-11/h2-5H2,1H3,(H2,12,13,15,16)"	CC1=C(C(=O)NC(=O)N1)N(CCF)CCCl	ODACNRQBNVVGAI-UHFFFAOYSA-N
DG50276	Sudan I	13297	"Sudan I; 842-07-9; Solvent Yellow 14; 1-Phenylazo-2-naphthol; C.I. Solvent Yellow 14; 1-(Phenylazo)-2-naphthalenol; Fast Orange; Grasal Orange; Spirit Orange; Oil Orange; Fast Oil Orange; Soudan I; Dunkelgelb; Pyronalorange; Carminaph; Fettorange lg; Cerotinorange G; Organol Orange; Stearix Orange; Fettorange R; Motiorange R; Scharlach B; Calcogas M; Orange Pel; Fettorange 4a; SUDAN 1; Grasan Orange R; Petrol Orange Y; Sansel Orange G; Spirit Yellow I; Toyo Oil Orange; Ceres Orange R; Enial Orange I; Oleal Orange R; Sudan Orange R; Sudan Orange RA; Atul Orange R; Resinol Orange R; Somalia Orange I; Fat Orange G; Fat Orange I; Fat Orange R; Oil Orange E; Oil Orange R; Sudan J; Fat Orange RS; Oil Orange EP; Hidaco Oil Orange; Oil Orange PEL; Resoform Orange G; Waxoline Yellow I; Fat Orange 4A; Lacquer Orange VG; Oil Orange 2B; Waxakol Orange GL; Fat Soluble Orange; Oil Soluble Orange; Orange A L'Huile; Calcogas Orange NC; Silotras Orange TR; Waxoline Yellow IM; Waxoline Yellow IP; Waxoline Yellow IS; 2-Naphthalenol, 1-(phenylazo)-; Fast Oil Orange I; 2-Naphtholazobenzene; Oil Orange 31; Dispersol Yellow PP; Orange Insoluble Olg; Oil Orange R-14; Tertrogras Orange SV; Sudan Orange RA New; Oil Orange 2311; Orange R Fat Soluble; Brasilazina Oil Orange; Campbelline Oil Orange; Morton Orange Y; Orient Oil Orange PS; 1-Benzoazo-2-naphthol; Benzeneazo-beta-naphthol; Brilliant Oil Orange R; Plastoresin Orange F4A; Orange Resenole No. 3; Oil Orange 7078-V; Oil Orange Z-7078; Orange 2 Insoluble; Solvent Yellow No. 14; Calco Oil Orange 7078; Orange Soluble A L'Huile; Benzene-1-azo-2-naphthol; Disperse Yellow 97; Calco Oil Orange 7078-Y; Calco Oil Orange Z-7078; Orange 3RA Soluble in Grease; 2-Naphthol, 1-(phenylazo)-; 2-Hydroxynaphthyl-1-azobenzene; 1-Benzeneazo-2-naphthol; 1-Phenylazo-beta-naphthol; 2-Hydroxy-1-phenylazonaphthalene; 1-(phenyldiazenyl)naphthalen-2-ol; NCI-C53929; C.I. 12055; Zlut rozpoustedlova 14; 1-phenyldiazenylnaphthalen-2-ol; CI 12055; 1-(Phenylazo)-2-naphthol; UNII-48I7IBB68J; C16H12N2O; C.I Solvent yellow 14; Benzeneazo-.beta.-naphthol; 2-Naphthalenol, 1-(2-phenyldiazenyl)-; 1-Phenylazo-.beta.-naphthol; 48I7IBB68J; CHEBI:30958; 1-[(E)-Phenyldiazenyl]-2-naphthol; MFCD00003911; (E)-1-(phenyldiazenyl)naphthalen-2-ol; Fettorange IG; DSSTox_CID_1135; Oil Orange PS; DSSTox_RID_75966; DSSTox_GSID_21135; Orange Resenole 3; WLN: L66J BNUNR& CQ; 1-[(E)-phenyldiazenyl]naphthalen-2-ol; C.I. Disperse Yellow 97; alpha-Phenylazo-beta-naphthol; 40339-35-3; CAS-842-07-9; CCRIS 174; Zlut rozpoustedlova 14 [Czech]; HSDB 4132; EINECS 212-668-2; NSC 11227; NSC 51524; BRN 0651992; C. I. Solvent Yellow 14; Sudangelb; Waxoline Orange EP-FW; SCHEMBL51451; Sudan I, analytical standard; 4-16-00-00228 (Beilstein Handbook Reference); SCHEMBL333149; 2-Naphthalenol, 1-(phenylazo); CHEMBL1397023; DTXSID4021135; SCHEMBL11876526; SCHEMBL11876532; 1-(2-Hydroxynaphthyl)azobenzene; DTXSID50873448; DTXSID90873447; Sudan I, Dye content >=95 %; 1-(Phenyldiazenyl)-2-naphthol #; .alpha.-Phenylazo-.beta.-naphthol; Sudan I (C.I. 12055); 1-(Phenylazo)-2-hydroxynaphthalene; AMY22421; HY-D0024; NSC11227; NSC51524; ZINC3860848; Tox21_200511; Tox21_300297; 1-[(E)-Phenylazo]naphthalene-2-ol; NSC-11227; NSC-51524; s6191; ZINC12405012; AKOS003581973; AKOS028109814; ZINC100048806; 1,2-Naphthalenedione 1-phenylhydrazone; 1-[(Phenyliminio)amino]-2-naphtholate; CS-5362; MCULE-6905364944; 1-[(Z)-Phenyldiazenyl]naphthalen-2-ol; NCGC00164031-01; NCGC00164031-02; NCGC00164031-03; NCGC00254059-01; NCGC00258065-01; Sudan 1 100 microg/mL in Acetonitrile; AC-34716; NCI60_000270; NCI60_004248; T836; 1,2-Naphthalenedione, 1-(phenylhydrazone); 1-(Phenyldiazenyl)naphthalen-2-ol, >95%; 1-[(1E)-2-Phenyldiazenyl]-2-naphthalenol; FT-0674689; FT-0674690; P0585; J3.602.610C; C19525; Q901018; (1Z)-1-(2-Phenylhydrazono)naphthalene-2(1H)-one; (E)-1-(2-Phenyldiazen-2-ium-1-yl)naphthalen-2-olate; 1-[(Z)-2-Phenylhydrazin-1-ylidene]naphthalen-2(1H)-one; 71351-99-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51524	.	.	.	.	248.28	C16H12N2O	45	312	4.1	19	1	3	2	"InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H"	C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O	MRQIXHXHHPWVIL-UHFFFAOYSA-N
DG50277	9-Chlorophenanthrene	13694	"9-CHLOROPHENANTHRENE; 947-72-8; Phenanthrene, 9-chloro-; 10-Chlorophenanthrene; CCRIS 5543; NSC 8552; EINECS 213-430-0; BRN 2047058; AI3-24095; NSC8552; SCHEMBL1922076; CHEMBL1986631; DTXSID00241572; NSC-8552; ZINC1644077; AKOS015851129; MCULE-8487782162; BS-33293; DB-057530; CS-0207071; FT-0633179; 947C728; J-519502"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8552	.	.	.	.	212.67	C14H9Cl	0	225	5	15	0	0	0	InChI=1S/C14H9Cl/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H	C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)Cl	CJWHZQNUDAJJSB-UHFFFAOYSA-N
DG50278	Nitrodan	13752	"NITRODAN; Nidanthel; Everfree; 962-02-7; CTR 6110; 3-methyl-5-[(4-nitrophenyl)diazenyl]-2-sulfanylidene-1,3-thiazolidin-4-one; MLS002608645; NSC44646; NSC67817; NSC-44646; NSC-67817; 3-Methyl-5-((p-nitrophenyl)azo)rhodanine; 3-Methyl-5-[(p-nitrophenyl)azo]rhodanine; Rhodanine, 3-methyl-5-[(p-nitrophenyl)azo]-; Nitrodanum; 4-Thiazolidinone, 3-methyl-5-[(4-nitrophenyl)azo]-2-thioxo-; Nitrodano; 3-Methyl-5-(4-nitrophenylazo)rhodanine; 3-Methyl-5-(4'-nitrophenylazo)rhodanine; Rhodanine, 3-methyl-5-(p-nitrophenylazo)-; Nitrodan [USAN:INN]; 4-Thiazolidinone, 3-methyl-5-((4-nitrophenyl)azo)-2-thioxo-; Nitrodan (USAN); NSC 44646; NSC 67817; 3-Methyl-5-((4-nitrophenyl)azo)rhodanin; NCIOpen2_003502; SCHEMBL634769; SCHEMBL6738937; CHEMBL1707960; CHEMBL2106768; DTXSID70862490; HMS3082E05; CTR-6110; D05185; Rhodanine, 3-methyl-5-[ (4-nitrophenyl)azo]-; Q27255553; 3-methyl-5-(p-nitrophenylazo )-2-thioxothiazolidin-4-on; 4-Thiazolidinone, 3-methyl-5-[ (4-nitrophenyl)azo]-2-thioxo-; 3-methyl-5-[(E)-(4-nitrophenyl)azo]-2-thioxo-thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67817	.	.	.	.	296.3	C10H8N4O3S2	148	429	2.7	19	0	7	2	"InChI=1S/C10H8N4O3S2/c1-13-9(15)8(19-10(13)18)12-11-6-2-4-7(5-3-6)14(16)17/h2-5,8H,1H3"	CN1C(=O)C(SC1=S)N=NC2=CC=C(C=C2)[N+](=O)[O-]	HHLAJTWCKSBJFA-UHFFFAOYSA-N
DG50279	Testolactone	13769	"testolactone; Teslac; 968-93-4; Fludestrin; Teolit; 1-Dehydrotestololactone; 1,2-Didehydrotestololactone; delta(1)-Testololactone; Testolattone [DCIT]; Testolacton; Testolactonum [INN-Latin]; Testolactona [INN-Spanish]; D-Homo-17A-oxaandrosta-1,4-diene-3,17-dione; SQ 9538; Testololactone, 1-dehydro-; SQ-9538; 13-Hydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid delta-lactone; UNII-6J9BLA949Q; NSC-12173; Teslak; (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione; NSC-23759; 3-oxo-13,17-secoandrosta-1,4-dieno-17,13alpha-lactone; 6J9BLA949Q; CHEBI:9460; (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione; Testololactone, 1,2-didehydro-; Testolactona; Testolactonum; Testolattone; NSC 23759; 1,2-Dehydrotestololactone; delta(1)-Dehydrotestolactone; (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromene-2,8(3H)-dione; delta1-Testololactone; .DELTA.1-Testololactone; Delta-1-testololactone; HSDB 3255; .DELTA.1-Dehydrotestolactone; EINECS 213-534-6; TESLAC (TN); Testolactone (USP/INN); .DELTA.1-Dehydrotestololactone; 17alpha-Oxo-D-homo-1,4-androstadiene-3,17-dione; NSC23759; NSC 12173; Testolactone [USAN:USP:INN]; Testolactone ciii; NCGC00159329-02; 1,2,3,4,4a,4b,7,9,10,10a-Decahydro-2-hydroxy-2,4b-dimethyl-7-oxo-1-phenanthrenepropionic acid delta-lactone; therapeutic testolactone; DSSTox_CID_3644; SCHEMBL4053; Testololactone,2-didehydro-; CHEMBL1571; DSSTox_RID_77126; DSSTox_GSID_23644; GTPL7303; DTXSID2023644; HMS3750O07; BCP10926; ZINC4081771; Tox21_111576; BDBM50367848; LMST02020084; 17a-Oxa-D-homoandrosta-1,17-dione; D-Homo-17a-oxaandrosta-1,17-dione; AKOS015840139; CS-5268; DB00894; 13,17-Secoandrosta-1,4-dien-17-oic acid, 13-hydroxy-3-oxo-, delta-lactone (8CI); CAS-968-93-4; HY-13763; NCI60_001908; C02197; D00153; 968T934; Q3985253; W-100129; 13,4-dien-17-oic acid, 13-hydroxy-3-oxo-, lactone; 13-Hydroxy-3-oxo-13,4-dien-17-oic acid .delta.-lactone; 13,4-dien-17-oic acid, 13-hydroxy-3-oxo-, .delta.-lactone; 13-Hydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid lactone; 13,4-dien-17-oic acid, 13.alpha.-hydroxy-3-oxo-, .delta.-lactone; 2H-Phenanthro[2,8(4bH)-dione, 3,4,4a,5,6,10a,10b,11,12,12a-decahydro-10a,12a-dimethyl-, lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23759	.	.	.	.	300.4	C19H24O3	43.4	602	3	22	0	3	0	"InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC(=O)O2)CCC4=CC(=O)C=C[C@]34C	BPEWUONYVDABNZ-DZBHQSCQSA-N
DG50280	Triethyltin chloride	13820	"TRIETHYLTIN CHLORIDE; 994-31-0; Stannane, chlorotriethyl-; Chlorotriethylstannane; Chlorotriethyltin; Triethylchlorotin; Triethylchlorostannane; Triethylstannyl chloride; Chloro(triethyl)stannane; Tin, triethyl-, chloride; Triethyltin chloride ((C2H5)3SnCl); Triethylstannium chloride; Triaethylzinnchlorid; NSC 5283; UNII-182XZ1735N; triethylstannanylium;chloride; NSC5283; 182XZ1735N; Triaethylzinnchlorid [German]; EINECS 213-616-1; triethylstannylchloride; DTXSID8075043; WLN: G-SN-2&2&2; NSC-5283; MFCD00040414; AKOS015838483; ZINC195751443; NCI60_004293; FT-0706612; Triethyltin chloride 10 microg/mL in Cyclohexane; Q27251971"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5283	.	.	.	.	241.34	C6H15ClSn	0	51.3	.	8	0	0	3	"InChI=1S/3C2H5.ClH.Sn/c3*1-2;;/h3*1H2,2H3;1H;/q;;;;+1/p-1"	CC[Sn](CC)(CC)Cl	PIMYDFDXAUVLON-UHFFFAOYSA-M
DG50281	Tri-p-tolylphosphine	13956	"Tri-p-tolylphosphine; 1038-95-5; Tris(4-methylphenyl)phosphine; Tri(p-tolyl)phosphine; Phosphine, tris(4-methylphenyl)-; tris(4-methylphenyl)phosphane; Tri-para-tolylphosphine; Tris(p-tolyl)phosphine; Phosphine, tri-p-tolyl-; trip-tolylphosphine; PHOSPHINE, TRIS(p-TOLYL)-; Tri-p-Tolyl Phosphine; NSC 97371; MFCD00008542; Tris-(p-tolyl)phosphine; 218281-19-7; Tris(4-tolyl)phosphine; EINECS 213-863-5; BRN 0651045; TRI-P-TOLYL-PHOSPHANE; NSC97371; tri-paratolylphosphine; tris-p-tolylphosphine; tri-p-tolyl-phosphine; tri(4-Tolyl)phosphine; tri(p-tolyl) phosphine; Phosphorus, tri-p-tolyl; SCHEMBL34181; Tris(p-methylphenyl)phosphine; 4-16-00-00959 (Beilstein Handbook Reference); Tri(p-tolyl)phosphine, 98%; tri-(4-Methylphenyl)phosphine; tris (4-methylphenyl)phosphine; tris(4-methylphenyl) phosphine; CHEMBL1999292; DTXSID3061425; SCHEMBL11326446; WXAZIUYTQHYBFW-UHFFFAOYSA-; Phosphine, tri-p-tolyl- (8CI); WLN: 1R DPR D1&R D1; AMY19709; BCP22533; NSC-97371; ZINC59210146; AKOS004909021; CS-W012099; GC10061; LS41007; MCULE-1213060810; AS-19146; NCI60_042173; SY009847; DB-009853; FT-0633260; T0862; X4828; J-001061"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	97371	.	.	.	.	304.4	C21H21P	0	263	5.7	22	0	0	3	"InChI=1S/C21H21P/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3"	CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C	WXAZIUYTQHYBFW-UHFFFAOYSA-N
DG50282	"1,3-Diamino-5-methylphenazinium chloride"	14132	"1,3-Diamino-5-methylphenazinium chloride; 1084-43-1; NCI 1528; NSC-33419; SN 967; UNII-65YN7B130I; 2,4-Diamino-10-methylphenazinium chloride; 65YN7B130I; 5-methylphenazin-5-ium-1,3-diamine;chloride; Phenazinium, 1,3-diamino-5-methyl-, chloride; EINECS 214-110-3; SCHEMBL10438705; DTXSID60910712; NSC33419; Phenazinium,3-diamino-5-methyl-, chloride; WLN: T C666 BK INJ B1 D1 F1 &Q &G; 1,3-DIAMINO-5-METHYLPHENAZIN-5-IUM CHLORIDE; Q27263920"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33419	.	.	.	.	260.72	C13H13ClN4	68.8	283	.	18	2	4	0	"InChI=1S/C13H12N4.ClH/c1-17-11-5-3-2-4-10(11)16-13-9(15)6-8(14)7-12(13)17;/h2-7H,1H3,(H3,14,15);1H"	C[N+]1=C2C=C(C=C(C2=NC3=CC=CC=C31)N)N.[Cl-]	ULNMZMBBJRBGLM-UHFFFAOYSA-N
DG50283	"2-Anilino-3-chloro-1,4-naphthoquinone"	14161	"1090-16-0; 2-Anilino-3-chloro-1,4-naphthoquinone; 2-anilino-3-chloronaphthalene-1,4-dione; 2-chloro-3-(phenylamino)naphthalene-1,4-dione; 1,4-NAPHTHOQUINONE, 2-ANILINO-3-CHLORO-; 2-Chloro-3-(phenylamino)-1,4-naphthoquinone; 3-Anilino-2-chloro-1,4-naphthoquinone; MLS000588884; 2-chloro-3-(phenylamino)-1,4-dihydronaphthalene-1,4-dione; SMR000212533; 2-Chloro-3-phenylamino-[1,4]naphthoquinone; NSC 4285; BRN 1981676; NSC4285; 1,4-Naphthalenedione,2-chloro-3-(phenylamino)-; 4-14-00-00405 (Beilstein Handbook Reference); cid_14161; CHEMBL155563; SCHEMBL6506683; BDBM68019; CIWCIDRTACZSAZ-UHFFFAOYSA-; ZINC96921; DTXSID40148793; HMS2524F03; 2-Anilino-3-chloronaphthoquinone #; NSC-4285; MFCD00010250; STK862428; AKOS001618279; MCULE-4977877989; 2-Anilino-2-Chloro-1,4-naphthoquinone; NCGC00246324-01; 2-anilino-3-chloro-naphthalene-1,4-dione; CS-0329677; 2-chloranyl-3-phenylazanyl-naphthalene-1,4-dione; 11T-0643; 7-chloro-5,8-dioxo-6-(phenylamino)naphthalen-1-yl; 2-anilino-3-chloro-1,4-dihydronaphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4285	.	.	.	.	283.71	C16H10ClNO2	46.2	451	3.2	20	1	3	2	"InChI=1S/C16H10ClNO2/c17-13-14(18-10-6-2-1-3-7-10)16(20)12-9-5-4-8-11(12)15(13)19/h1-9,18H"	C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl	CIWCIDRTACZSAZ-UHFFFAOYSA-N
DG50284	Diphenyltin dichloride	14342	"DIPHENYLTIN DICHLORIDE; 1135-99-5; Stannane, dichlorodiphenyl-; Dichlorodiphenyltin; Diphenyldichlorotin; Dichlorodiphenylstannane; Diphenyltin chloride; Diphenylstannyl dichloride; Dichloro(diphenyl)stannane; Tin, diphenyl-, dichloride; UNII-0Y7MZ4K0DR; Diphenyltindichloride; Stannane,dichlorodiphenyl-; NSC405640; 0Y7MZ4K0DR; Diphenylstannium dichloride; CCRIS 6324; Difenylstanniumdichlorid [Czech]; Difenylstanniumdichlorid; EINECS 214-496-3; C12H10Cl2Sn; NSC 405640; BRN 4134437; MFCD00000516; Tin, dichlorodiphenyl-,; WLN: G-SN-GR&R; Diphenyltin dichloride, 96%; DTXSID7074458; BAA13599; 5929AF; AKOS015903689; ZINC170155676; NSC-405640; NCI60_003833; DB-041178; HY-144105; FT-0633391; Diphenyltin Dichloride 1000 microg/mL in Methanol; Q22668718"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	405640	.	.	.	.	343.8	C12H10Cl2Sn	0	174	.	15	0	0	2	InChI=1S/2C6H5.2ClH.Sn/c2*1-2-4-6-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2	C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(Cl)Cl	ISXUHJXWYNONDI-UHFFFAOYSA-L
DG50285	Methdilazine	14677	"METHDILAZINE; Tacaryl; 1982-37-2; Methdilazinum; Tacazyl; Methdilazinum [INN-Latin]; Metodilazina [INN-Spanish]; NCI-C60720; 10-[(1-Methylpyrrolidin-3-yl)methyl]phenothiazine; 10-[(1-methylpyrrolidin-3-yl)methyl]-10H-phenothiazine; 10-((1-Methyl-3-pyrrolidinyl)methyl)phenothiazine; CHEBI:6823; 10H-Phenothiazine, 10-[(1-methyl-3-pyrrolidinyl)methyl]-; Methodilazine; Metodilazina; 10H-Phenothiazine, 10-((1-methyl-3-pyrrolidinyl)methyl)-; Tacryl; NSC169091; MJ 5022; 10-[(1-Methyl-3-Pyrrolidinyl)methyl]phenothiazine; Phenothiazine, 10-((1-methyl-3-pyrrolidinyl)methyl)-; Phenothiazine, 10-[(1-methyl-3-pyrrolidinyl)methyl]-; 10-[(1-Methyl-3-pyrrolidinyl)methyl]phenothiazine; MJ 5022; Tacaryl (TN); Methdilazine (INN); Product 5022; EINECS 217-841-6; metdilazina; Methdilazine [USP:INN:BAN]; Dilosyn (Salt/Mix); Disyncram (Salt/Mix); Disyncran (Salt/Mix); METHDILAZINE(200MG); SCHEMBL121507; GTPL7231; 10-((1-methyl-3-pyrrolidinyl)methyl)-10H-phenothiazine; CHEMBL1200959; DTXSID6023282; BDBM81470; METHDILAZINE (200 MG); 10H-Phenothiazine, tannate (5:1); CAS_14677; NSC_14677; NSC244191; PDSP1_000149; PDSP2_000148; DB00902; NSC-244191; NCI60_001351; C07175; D04979; L001130; SR-01000944494; Q6665709; SR-01000944494-1; 10-[(1-Methyl-3-pyrrolidinyl)methyl]-10H-phenothiazine #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	169091	.	.	.	.	296.4	C18H20N2S	31.8	339	5.2	21	0	3	2	"InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3"	CN1CCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42	HTMIBDQKFHUPSX-UHFFFAOYSA-N
DG50286	Solvent red 1	14678	"Solvent red 1; 1229-55-6; Sudan Red G; Sudan R; 1-((2-Methoxyphenyl)diazenyl)naphthalen-2-ol; Ceres Red G; Fat Red BG; Fat Soluble Red S; OIL PINK; Oil Vermilion; 1-(2-Methoxyphenylazo)-2-naphthol; Organol Vermilion; Resinol Red G; Silotras Red TG; Somalia Red PG; Oil Vermilion LP; Oleal Red G; C.I. Solvent Red 1; Fat-soluble Red S; Plastoresin Red FR; Oil Soluble Red S; Oil Scarlet 389; Ceres Red G 102; C.I. Solvent Red I; Brilliant Fat Scarlet R; C.I. Food Red 16; 1-(o-Anisylazo)-2-naphthol; C.I. 12150; 1-[(2-Methoxyphenyl)azo]-2-naphthol; UNII-J95C286WK5; 1-[(2-methoxyphenyl)diazenyl]naphthalen-2-ol; Sudan Red G (C.I. 12150); 1-((2-Methoxyphenyl)azo)-2-naphthol; 2-Naphthol, 1-((o-methoxyphenyl)azo)-; 2-Naphthalenol, 1-((2-methoxyphenyl)azo)-; 2-Naphthalenol, 1-[(2-methoxyphenyl)azo]-; Orient Oil Red OG; J95C286WK5; Lacquer Red V2G; 1-(2-Methoxyphenyl)azo-2-naphthol; MFCD00046377; Brilliant Fast Scarlet R; Sudan Red 290; Oil Red 113; (E)-1-((2-methoxyphenyl)diazenyl)naphthalen-2-ol; 1-[(E)-(2-methoxyphenyl)diazenyl]naphthalen-2-ol; Oil Red OG; Anisole-2-azo-.beta.-naphthol; CI Solvent Red 1; Lacquer Red V 2G; Food Red 16; CI Food Red 16; Sico Fat Red BG New; C Red 2; 2-Naphthol, 1-[(o-methoxyphenyl)azo]-; Anisole-2-azo-beta-naphthol; 93449-48-0; CCRIS 2785; HSDB 2145; Sudan Red G (6CI); 2-Naphthalenol, 1-(2-(2-methoxyphenyl)diazenyl)-; 2-Naphthalenol, 1-[2-(2-methoxyphenyl)diazenyl]-; EINECS 214-968-9; NSC 11232; NSC 45194; CI 12150; 1-((2-Methoxyphenyl)azo)-2-naphthalenol; SCHEMBL340350; 1-[2-(2-methoxyphenyl)diazen-1-yl]naphthalen-2-ol; SCHEMBL1507672; CHEMBL1986529; DTXSID3061635; SCHEMBL11875491; SCHEMBL11877973; Sudan red G, analytical standard; NSC11232; NSC45194; NSC-11232; NSC-45194; STL417933; Sudan red G, reagent for Ph. Eur.; ZINC18100764; ZINC95628832; ZINC95628833; AKOS001025698; AKOS030228149; AKOS037643326; ZINC100006019; ZINC252428377; ZINC254702107; MCULE-6310788436; AS-13947; NCI60_000271; NCI60_004041; T785; FT-0674693; M0487; D91337; 1-((2-Methoxyphenyl);diazenyl);naphthalen-2-ol; Q835871; W-109654; Z56755465"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11232	.	.	.	.	278.3	C17H14N2O2	54.2	361	4.6	21	1	4	3	"InChI=1S/C17H14N2O2/c1-21-16-9-5-4-8-14(16)18-19-17-13-7-3-2-6-12(13)10-11-15(17)20/h2-11,20H,1H3"	COC1=CC=CC=C1N=NC2=C(C=CC3=CC=CC=C32)O	ALLOLPOYFRLCCX-UHFFFAOYSA-N
DG50287	Dibromsalan	14839	"DIBROMSALAN; Temasept; 4',5-Dibromosalicylanilide; Dibromsalen; Disanyl; Bromsalicylanilide; Bromosalicylanilide; 87-12-7; DIBASK; 5-Bromosalicyl-4-bromoanilide; NSC-20527; 3-Bromo-6-hydroxybenz-p-bromanilide; 5-Bromosalicylic acid p-bromoanilide; UNII-N9900K2RBT; BENZAMIDE, 5-BROMO-N-(4-BROMOPHENYL)-2-HYDROXY-; 5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide; N9900K2RBT; NSC20527; component of Diaphene; component of ASC-4; component of Temasept I; Salicylanilide,5-dibromo-; WLN: QR DE BVMR DE; Caswell No. 287C; Dibromsalanum; Dibronsalan; Dibromsalan [USAN:INN]; Dibromsalanum [INN-Latin]; Dibronsalan [INN-Spanish]; EINECS 201-724-1; NSC 20527; EPA Pesticide Chemical Code 077402; BRN 1125597; WR 52606; Salicylanilide, 4',5-dibromo-; p-Bromanilid kyseliny 5-bromsalicylove [Czech]; Dibromsalan (USAN); p-Bromanilid kyseliny 5-bromsalicylove; CHEMBL21869; SCHEMBL646973; DTXSID1041500; ZINC608319; NSC81947; NSC-81947; 5-bromo-N-(4-bromophenyl)-2-hydroxy-benzamide; D03780; Q27284731"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	20527	.	.	.	.	371.02	C13H9Br2NO2	49.3	293	4.7	18	2	2	2	"InChI=1S/C13H9Br2NO2/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17/h1-7,17H,(H,16,18)"	C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Br)O)Br	CTFFKFYWSOSIAA-UHFFFAOYSA-N
DG50288	Nitralamine	15031	"Nitralamine; 71872-90-7; SC-12350; NSC357114; CS-12350; 2-((o-Chloro-alpha-(nitromethyl)benzyl)thio)ethylamine; CHEMBL2111120; DTXSID20862667; Ethanamine, 2-((1-(2-chlorophenyl)-2-nitroethyl)thio)-; Q27284995; 2-[1-(2-chlorophenyl)-2-nitro-ethyl]sulfanylethanamine; {[(.Alpha.-Nitromethyl)-o-chlorobenzylthio]ethylamine} hydrochloride; (2-((2-Aminoethyl)thio)-2-(2-chlorophenyl)ethyl)(hydroxy)azane oxide; {2-[.Alpha.-(Nitromethyl)-2-chlorobenzylthio]ethylamine} hydrochloride; {2-[[o-Chloro-.alpha.-(nitromethyl)benzyl]thio]ethylamine} hydrochloride; {2-[o-Chloro-.alpha.-(nitromethyl)benzylthio]ethylamine} hydrochloride; {2-[[o-Chloro-.alpha.-(nitromethyl)benzyl]thio]ethylamine} monohydrochloride; Ethanamine, {2-[[1-(2-chlorophenyl)-2-nitroethyl]thio]-,} monohydrochloride; Ethylamine, {2-[[o-chloro-.alpha.-(nitromethyl)benzyl]thio]-,} hydrochloride; Ethylamine, {2-[[o-chloro-.alpha.-(nitromethyl)benzyl]thio]-,} monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357114	.	.	.	.	260.74	C10H13ClN2O2S	97.1	225	1.9	16	1	4	5	"InChI=1S/C10H13ClN2O2S/c11-9-4-2-1-3-8(9)10(7-13(14)15)16-6-5-12/h1-4,10H,5-7,12H2"	C1=CC=C(C(=C1)C(C[N+](=O)[O-])SCCN)Cl	OQTNUAMHNGNKJC-UHFFFAOYSA-N
DG50289	Guanazole	15078	"Guanazole; 1H-1,2,4-Triazole-3,5-diamine; 1455-77-2; 3,5-DIAMINO-1,2,4-TRIAZOLE; 4H-1,2,4-triazole-3,5-diamine; 3,5-Diamino-s-triazole; 3,5-Diamino-1H-1,2,4-triazole; NSC 1895; s-Triazole, 3,5-diamino-; MC 51762; NCI-C04819; 1,2,4-Triazolidine, 3,5-diimino-; UNII-I01TWM5267; MFCD00005233; CHEBI:75425; NSC1895; I01TWM5267; 3,5-Diamino-1h-[1,2,4]triazole; CCRIS 3745; EINECS 215-937-2; AI3-51272; 2xix; DSSTox_CID_5367; Guanazole (VAN) (8CI); DSSTox_RID_77765; DSSTox_GSID_25367; BIDD:GT0366; CHEMBL56973; 1H-124-Triazole-35-diamine; DTXSID0025367; 1H-1,4-Triazole-3,5-diamine; 1,2,4-Triazolidine-3,5-diimine; 1,4-Triazolidine, 3,5-diimino-; ALBB-017750; NSC-1895; ZINC4118774; 3,5 diamino-1H-1,2,4-triazole; Tox21_202973; BBL001888; STK386290; 3,5-Diamino-[1,2,4]TRIAZOLE; AKOS000120421; AKOS003234052; MB00154; MCULE-3092785488; 3,5-Diamino-1,2,4-triazole, 98%; 3-amino-1H-1,2,4-triazol-5-ylamine; NCGC00260519-01; 4H-[1,2,4]TRIAZOLE-3,5-diamine; 503-88-8; AS-15933; BP-10410; NCI60_001580; R431; SY049252; CAS-1455-77-2; DB-006826; D2587; FT-0614488; FT-0691053; 3,5-Diamino-1,2,4-triazole Sulfate (2:1); F15432; 455T772; A884602; AG-670/31515053; W-108136; Q27145298; 63598-73-2; Guanazole; 3,5-Diamino-1,2,4-triazole (Guanazole); 3,5-Diamino-1H-1,2,4-triazole;3,5-Diamino-1,2,4-triazole; XIX"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1895	.	.	.	.	99.1	C2H5N5	93.6	63.1	-0.7	7	3	4	0	"InChI=1S/C2H5N5/c3-1-5-2(4)7-6-1/h(H5,3,4,5,6,7)"	C1(=NC(=NN1)N)N	PKWIYNIDEDLDCJ-UHFFFAOYSA-N
DG50290	"Benzophenone, 4,4'-bis(dimethylamino)-, oxime"	15581	"4,4'-Bis(dimethylamino)benzophenone oxime; 1714-51-8; UNII-83UEA75H5R; BENZOPHENONE, 4,4'-BIS(DIMETHYLAMINO)-, OXIME; 83UEA75H5R; Bis[4-(dimethylamino)phenyl]methanone oxime; NSC 43959; BRN 2859295; TimTec1_004542; Oprea1_730193; 3-14-00-00229 (Beilstein Handbook Reference); SCHEMBL5579647; ZINC51570; DTXSID90169079; HMS1546O10; NSC43959; NSC-43959; STK756350; WLN: 1N1&R DYUNQR DN1&1; AKOS001723673; MCULE-1331458743; Benzophenone,4'-bis(dimethylamino)-, oxime; SR-01000517032; 4,4'-(hydroxycarbonimidoyl)bis(N,N-dimethylaniline); SR-01000517032-1; Methanone, bis(4-(dimethylamino)phenyl)-, oxime (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43959	.	.	.	.	283.37	C17H21N3O	39.1	308	4.1	21	1	4	4	"InChI=1S/C17H21N3O/c1-19(2)15-9-5-13(6-10-15)17(18-21)14-7-11-16(12-8-14)20(3)4/h5-12,21H,1-4H3"	CN(C)C1=CC=C(C=C1)C(=NO)C2=CC=C(C=C2)N(C)C	RHVSVZXFVMCNAT-UHFFFAOYSA-N
DG50291	"2,4,5,6-Tetrachloropyrimidine"	15690	"2,4,5,6-Tetrachloropyrimidine; 1780-40-1; Tetrachloropyrimidine; Perchloropyrimidine; Pyrimidine, tetrachloro-; PYRIMIDINE, 2,4,5,6-TETRACHLORO-; 2,4,5,6-Tetrachloro-1,3-pyrimidine; MFCD00006062; EINECS 217-228-3; NSC 35123; BRN 0145778; AI3-26568; NSC35123; 2,5,6-Tetrachloropyrimidine; 5-23-05-00347 (Beilstein Handbook Reference); SCHEMBL218726; CHEMBL2000541; DTXSID4061963; Pyrimidine,4,5,6-tetrachloro-; 2,4,5,6-tetrachloro-pyrimidine; AMY42041; ZINC1667478; 2,5,6-Tetrachloro-1,3-pyrimidine; NSC-35123; AKOS015851187; GS-6754; SB60534; 2,4,5,6-Tetrachloropyrimidine, 97%; AC-10228; L042; NCI60_003135; SY005512; DB-044320; FT-0609778; T1217; H10056; A812338; W-107821"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35123	.	.	.	.	217.9	C4Cl4N2	25.8	110	3.7	10	0	2	0	InChI=1S/C4Cl4N2/c5-1-2(6)9-4(8)10-3(1)7	C1(=C(N=C(N=C1Cl)Cl)Cl)Cl	GVBHCMNXRKOJRH-UHFFFAOYSA-N
DG50292	Ethacridine lactate	15789	"ETHACRIDINE LACTATE; 1837-57-6; acrinol; Rivanol; Acrolactine; Metifex; Rivinol; Rimaon; Ethodin; Flavitrol; Hectalin; 6,9-Diamino-2-ethoxyacridine lactate; Amoebin; Vucine; Akron; 7-ethoxyacridine-3,9-diamine 2-hydroxypropanoate; Antidiar 200; Ethacridine (lactate); 2-Ethoxy-6,9-diaminoacridine lactate; TCMDC-123983; Propanoic acid, 2-hydroxy-, compd. with 7-ethoxy-3,9-acridinediamine (1:1); NSC 36333; 2,5-Diamino-7-ethoxyacridine lactate; 2-Ethoxy-6,9-diaminoacridinium lactate; 3,9-Diamino-7-ethoxyacridinium lactate; Acrinolum; CHEBI:31172; 6,9-Diamino-2-ethoxyacridine lactate monohydrate; Propanoic acid, 2-hydroxy-, compd. with 7-ethoxy-3,9-acridinediamine(1:1)OTHER CA INDEX NAMES:3,9-Acridinediamine, 7-ethoxy-, 2-hydroxypropanoate (1:1); CCRIS 5165; NSC-36333; NCGC00096056-02; EINECS 217-408-1; Acridine, 6,9-diamino-2-ethoxy-, lactate; 2-Aethoxy-6,9-diaminoacridinlactat [German]; Acridine, 6,9-diamino-2-ethoxy-, monolactate; 2-Aethoxy-6,9-diaminoacridinlactat; Antidian 200; 6,9-Acridinediamine, 2-ethoxy-, 2-hydroxypropanoate (1:1); Lactic acid, compd. with 6,9-diamino-2-ethoxyacridine (1:1); Acridine, 6,9-diamino-2-ethoxy-, compd. with lactic acid (1:1); Ethacridine Lactate ,(S); 2-Hydroxypropanoic acid, compd. with 7-ethoxy-3,9-acridinediamine (1:1); SCHEMBL138154; SPECTRUM1505168; CHEMBL582355; DTXSID10872472; HMS3264O11; Pharmakon1600-01505168; BCP10467; HY-B2174; NSC36333; MFCD00013149; NSC758932; s4945; AKOS015896231; Acridine,9-diamino-2-ethoxy-, lactate; AM84640; CCG-213965; CS-7625; KS-5135; NSC-758932; WLN: T C666 BNJ EZ IZ LO2; NCGC00096056-01; 6,9-Diamino-2-ethoxyacridine-DL-lactate; H741; Acridine,9-diamino-2-ethoxy-, monolactate; 7-ethoxy-3,9-acridinediamine, lactate salt; DB-044505; 6, 2-ethoxy-, 2-hydroxypropanoate (1:1); A0136; FT-0621870; SJ000012756; D81748; Lactic acid,9-diamino-2-ethoxyacridine (1:1); Q426220; SR-01000872749; SR-01000872749-1; W-107794; 7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid; Acridine,9-diamino-2-ethoxy-, cpd with lactic acid (1:1); Acrino;Acrolactine;NSC 36333; NSC-36333; NSC36333; Propanoic acid, compd. with 7-ethoxy-3,9-acridinediamine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36333	.	.	.	.	343.4	C18H21N3O4	132	371	.	25	4	7	3	"InChI=1S/C15H15N3O.C3H6O3/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13;1-2(4)3(5)6/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6)"	CCOC1=CC2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N.CC(C(=O)O)O	IYLLULUTZPKQBW-UHFFFAOYSA-N
DG50293	Bisethylxanthate trisulfide	15815	"Defoliant 713; BEXT; Bisethylxanthate trisulfide; Bis(ethylxanthogen)trisulfide; Di(ethylxanthogen) trisulfide; Bis(ethylxanthogen) trisulfide; 1851-77-0; Trisulfide, bis(ethoxythioxomethyl); O-ethyl (ethoxycarbothioyltrisulfanyl)methanethioate; UNII-W7PX1UP1IS; W7PX1UP1IS; Methanethioic acid, trithiobis-, O,O-diethyl ester; Bis-ethylxanthogen trisulfide; FORMIC ACID, TRITHIOBIS(THIO-, O,O-DIETHYL ESTER; Trisulfide, bis(ethoxythiocarbonyl); NSC402562; Pertrithiobis(thioformic acid O-ethyl) ester; BEXT (VAN); Di(ethylxanthogen)trisulfide; Bis(ethoxythiocarbonyl)trisulfide; Trisulfide, bis(ethoxythiocarbonyl)-; NSC 402562; Di-ethoxythiokarbonyl-trisulfid [Czech]; BRN 1788565; Di-ethoxythiokarbonyl-trisulfid; Defoliant-713; 3-03-00-00351 (Beilstein Handbook Reference); WLN: SUYO2&SSSYUS&O2; bis-ethoxythiocarbonyl-trisulfane; CHEMBL1998620; DTXSID70171716; 1,3-Bis(ethoxycarbothioyl)trisulfane; NSC-402562; NCI60_003780; Formic acid, {trithiobis[thio-,} O,O-diethyl ester; Methanethioic acid, trithiobis-, O,O-diethyl ester (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	402562	.	.	.	.	274.5	C6H10O2S5	159	154	3.7	13	0	7	8	"InChI=1S/C6H10O2S5/c1-3-7-5(9)11-13-12-6(10)8-4-2/h3-4H2,1-2H3"	CCOC(=S)SSSC(=S)OCC	XXYGYFJCOAIEEK-UHFFFAOYSA-N
DG50294	tert-Butylhydroquinone	16043	"tert-Butylhydroquinone; 1948-33-0; TBHQ; 2-tert-Butylhydroquinone; 2-tert-butylbenzene-1,4-diol; T-BUTYLHYDROQUINONE; MTBHQ; t-Butyl hydroquinone; 2-t-Butylhydroquinone; 2-tert-Butyl-1,4-benzenediol; Mono-tert-butylhydroquinone; Sustane; tert-Butyl-1,4-benzenediol; Mono-tertiarybutylhydroquinone; Tenox TBHQ; tertiary-Butylhydroquinone; 1,4-Benzenediol, 2-(1,1-dimethylethyl)-; Hydroquinone, tert-butyl-; Banox 20BA; 2-(1,1-Dimethylethyl)-1,4-benzenediol; 2-tert-Butyl(1,4)hydroquinone; 2-tertiary-butylhydroquinone; t-BHQ; 2-(tert-butyl)benzene-1,4-diol; tert-Butylhydrochinone; 2-t-Butyl-1,4-benzenediol; Tertiary butylhydroquinone; Eastman MTBHQ; NSC 4972; MFCD00002344; 1,4-Benzenediol (1,1-dimethylethyl)-; CHEBI:78886; tert-butyl-hydroquinone; NSC4972; UNII-C12674942B; 2-(1,1-dimethylethyl)benzene-1,4-diol; NSC-4972; NCGC00013051-05; E319; DSSTox_CID_220; C12674942B; DSSTox_RID_75441; DSSTox_GSID_20220; Hydroquinone, t-butyl-; EYK; CAS-1948-33-0; monotertiary butyl hydroquinone; CCRIS 1447; HSDB 838; Butylhydroquinone, t-; Tenox 20; tert-butyl hydroquinone; Butylhydroquinone, tert-; EINECS 217-752-2; BRN 0637923; 2-(tert-Butyl)benzene-1,4-diol(may occur to produce black solid); AI3-61039; 1-t-Butyl-1,4-dihydroxybenzene; Sustane TBHQ; Tenox TBHO; Tenox TBHQTBHQ; t-butyl-hydroquinone; tert-Butylhydroquinon; 2-t-butyl hydroquinone; tert.-butyl hydroquinone; 2-tert-butyl-hydroquinone; EC 217-752-2; NCIStruc1_000241; NCIStruc2_000017; SCHEMBL26745; tert-Butylhydroquinone, 97%; MLS002222348; Mono-Tertiarybuytl Hydroquinone; CHEMBL242080; DTXSID6020220; NCI4972; WLN: QR DQ BX1&1&1; KUC109743N; ZINC388085; 1,4-dihydroxy-2-tert-butylbenzene; 2-tert-butyl-1,4-dihydroxybenzene; Tox21_110006; Tox21_110007; Tox21_202309; Tox21_300081; BDBM50065387; CCG-37948; NCGC00013051; s4990; STK372011; AKOS003627061; CS-5774; DB07726; MCULE-3339750019; NCGC00013051-01; NCGC00013051-02; NCGC00013051-03; NCGC00013051-04; NCGC00013051-06; NCGC00013051-07; NCGC00013051-08; NCGC00013051-09; NCGC00013051-10; NCGC00090788-01; NCGC00090788-02; NCGC00090788-03; NCGC00090788-04; NCGC00254178-01; NCGC00259858-01; AC-10579; BS-15862; NCI60_004196; SMR001253806; SY001798; KSC-241-078-1; tert-Butylhydroquinone, analytical standard; DB-019879; HY-100489; B0833; FT-0652102; 2-(1,1-Dimethylethyl)-1,4-benzenediol, 9CI; D70420; Q662443; W-107698; BRD-K36452089-001-01-8; BRD-K36452089-001-02-6; F0001-0696; Z1945707490"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4972	.	.	.	.	166.22	C10H14O2	40.5	148	2.8	12	2	2	1	"InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3"	CC(C)(C)C1=C(C=CC(=C1)O)O	BGNXCDMCOKJUMV-UHFFFAOYSA-N
DG50295	"5,6-Chrysenedione"	16317	"5,6-CHRYSENEDIONE; 5,6-chrysenequinone; chrysene-5,6-dione; 2051-10-7; Chrysene-5,6-quinone; MLS002637799; UNII-3UZ6R8Y75B; 3UZ6R8Y75B; SMR001547316; Chrysenequinone; 5,6-Chrysoquinone; CCRIS 2025; NSC5192; NSC 5192; BRN 0650510; cid_16317; SCHEMBL1055754; CHEMBL1704614; BDBM89215; DTXSID10174509; HMS3093G08; NSC-5192; ZINC1680760; AKOS024341207; MCULE-9578968367; DB-083072; FT-0728569; 4-07-00-02646 (Beilstein Handbook Reference); Q27258059"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5192	.	.	.	.	258.3	C18H10O2	34.1	427	3.8	20	0	2	0	InChI=1S/C18H10O2/c19-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)18(17)20/h1-10H	C1=CC=C2C(=C1)C=CC3=C2C(=O)C(=O)C4=CC=CC=C34	HZGMNNQOPOLCIG-UHFFFAOYSA-N
DG50296	Pimozide	16362	"pimozide; 2062-78-4; Orap; Opiran; Pimozidum; Pimozidum [INN-Latin]; McN-JR-6238; R-6238; R 6238; R6238; UNII-1HIZ4DL86F; NSC 170984; McN-JR 6238; 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one; 2H-Benzimidazol-2-one, 1-[1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-; 1-(1-(4,4-Bis(p-fluorophenyl)butyl)-4-piperidyl)-2-benzimidazolinone; 1-[1-[4,4-Bis(p-fluorophenyl)butyl]-4-piperidyl]-2-benzimidazolinone; 1HIZ4DL86F; CHEMBL1423; 1-(4,4-Bis(p-fluorophenyl)butyl)-4-(2-oxo-1-benzimidazolinyl)piperidine; 1-[1-[4,4-bis(4-Fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one; MLS000028410; MLS002702058; CHEBI:8212; MFCD00055081; NSC170984; 1-{1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; 1-{1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one; 2H-Benzimidazol-2-one, 1-(1-(4,4-bis(4-fluorophenyl)butyl)-4-piperidinyl)-1,3-dihydro-; NSC-170984; NCGC00015802-08; NCGC00015802-18; Primozida; SMR000058385; CAS-2062-78-4; DSSTox_CID_3474; 1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one; DSSTox_RID_77042; DSSTox_GSID_23474; Primozida [INN-Spanish]; pimozida; Primozide; C28H29F2N3O; Pimozida [INN-Spanish]; 1-[4,4-Bis(p-fluorophenyl)butyl]-4-(2-oxo-1-benzimidazolinyl)piperidine; CCRIS 9172; Orap (TN); SR-01000075392; EINECS 218-171-7; BRN 0729089; 1-(1-(4,4-bis(4-fluorophenyl)butyl)-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one; Prestwick_395; Pimozide [USAN:USP:INN:BAN:JAN]; Spectrum_000445; Tocris-0937; Opera_ID_1580; Prestwick0_000308; Prestwick1_000308; Prestwick2_000308; Prestwick3_000308; Spectrum2_001026; Spectrum3_001451; Spectrum4_000420; Spectrum5_001308; Lopac-P-1793; GTPL90; NCIMech_000356; P 1793; Lopac0_000946; SCHEMBL41584; BSPBio_000276; BSPBio_001439; BSPBio_002941; KBioGR_000720; KBioSS_000925; 5-24-02-00367 (Beilstein Handbook Reference); MLS001077311; BIDD:GT0435; DivK1c_000386; Methyl-(2-m-tolylethyl)amine; SPECTRUM1501134; Pimozide (JP17/USP/INN); SPBio_001211; SPBio_002495; BPBio1_000304; SCHEMBL7519553; DTXSID8023474; BCBcMAP01_000043; HMS501D08; KBio1_000386; KBio2_000925; KBio2_003493; KBio2_006061; KBio3_002441; AOB5780; NINDS_000386; HMS1568N18; HMS1791H21; HMS1921H19; HMS1989H21; HMS2089C11; HMS2092F09; HMS2095N18; HMS2231P23; HMS3262N14; HMS3267E19; HMS3370N13; HMS3402H21; HMS3411J16; HMS3675J16; HMS3712N18; Pharmakon1600-01501134; ZINC4175630; Tox21_110224; Tox21_301586; Tox21_500946; BDBM50334150; CCG-35918; CCG-36461; CCG-39728; NSC757854; s4358; 2-Benzimidazolinone, 1-[1-[4,4-bis(p-fluorophenyl)butyl]-4-piperidyl]-; 3-[1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidyl]-1H-benzimidazol-2-one; AKOS024458706; Tox21_110224_1; DB01100; LP00946; NSC-757854; SDCCGSBI-0050920.P004; IDI1_000386; SMP1_000241; NCGC00015802-01; NCGC00015802-02; NCGC00015802-03; NCGC00015802-04; NCGC00015802-05; NCGC00015802-06; NCGC00015802-07; NCGC00015802-09; NCGC00015802-10; NCGC00015802-11; NCGC00015802-12; NCGC00015802-13; NCGC00015802-14; NCGC00015802-15; NCGC00015802-16; NCGC00015802-26; NCGC00015802-29; NCGC00016601-01; NCGC00022282-03; NCGC00024888-01; NCGC00024888-02; NCGC00024888-03; NCGC00024888-04; NCGC00024888-05; NCGC00024888-06; NCGC00024888-07; NCGC00255294-01; NCGC00261631-01; AS-13916; HY-12987; M828; SBI-0050920.P003; AB00052215; CS-0012921; EU-0100946; FT-0673903; R-623; SW196639-3; C07566; D00560; AB00052215-06; AB00052215_07; AB00052215_08; 062P784; L000494; Q144085; WLN: T56 BMVNJ D- DT6NTJ A3YR DF&R DF; J-013477; SR-01000075392-1; SR-01000075392-3; SR-01000075392-4; SR-01000075392-6; BRD-K01292756-001-06-0; BRD-K01292756-001-13-6; Pimozide, European Pharmacopoeia (EP) Reference Standard; Z241910386; 2-Benzimidazolinone,4-bis(p-fluorophenyl)butyl]-4-piperidyl]-; N-benzyl-N-(3-isobutoxy-2-(pyrrolidin-1-yl)propyl)benzenamine; Pimozide, United States Pharmacopeia (USP) Reference Standard; 1-[1-[4,4-Bis(p-flurophenyl)butyl]-4-piperidyl]-2-benzimidazolinone; 1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one; 1-{1-[4,4-bis-(4-fluoro-phenyl)-butyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one; 2H-Benzimidazol-2-one,4-bis(4-fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-; 1-{1-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one(Pimozide); Pimozide (1-[1-[4,4-Bis(4-fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidaol-2-one); PIMOZIDE1-{1-[4,4-BIS-(4-FLUORO-PHENYL)-BUTYL]-PIPERIDIN-4-YL}-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	170984	.	.	.	.	461.5	C28H29F2N3O	35.6	632	6.3	34	1	4	7	"InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)"	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F	YVUQSNJEYSNKRX-UHFFFAOYSA-N
DG50297	Decyltrimethylammonium bromide	16388	"Decyltrimethylammonium bromide; 2082-84-0; N,N,N-trimethyldecan-1-aminium bromide; n-Decyltrimethylammonium bromide; Trimethyldecylammonium bromide; 1-Decanaminium, N,N,N-trimethyl-, bromide; 1-Decanaminium, N,N,N-trimethyl-, bromide (1:1); decyl(trimethyl)azanium;bromide; N,N,N-Trimethyldecylammonium bromide; N,N,N-Trimethyl-1-decanaminium bromide; decyltrimethylazanium bromide; CHEBI:295756; MFCD00041973; Decyltrimethylammoniumbromide; FSM 20; Ammonium, decyltrimethyl-, bromide; NSC 9951; EINECS 218-219-7; AI3-61499; C13H30BrN; SCHEMBL146147; CHEMBL120782; Decyl-Trimethyl-Ammonium Bromide; DTXSID80883792; NSC9951; NSC-9951; N,N-Trimethyl-1-decanaminium bromide; AKOS015914914; DS-4371; MCULE-7441976704; (1-Decyl)trimethylammonium bromide, 98%; D1467; FT-0657061; V1313; D87915; A814954; J-013662; Q27225723"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9951	.	.	.	.	280.29	C13H30BrN	0	113	.	15	0	1	9	"InChI=1S/C13H30N.BrH/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;/h5-13H2,1-4H3;1H/q+1;/p-1"	CCCCCCCCCC[N+](C)(C)C.[Br-]	PLMFYJJFUUUCRZ-UHFFFAOYSA-M
DG50298	7-Hydroxychlorpromazine	16414	"7-Hydroxychlorpromazine; 2095-62-7; 7-OCPZ; 7-OHCPZ; 7-Hydroxy Chlorpromazine; 8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-3-ol; NSC131053; UNII-P0X9L6UVP0; P0X9L6UVP0; MLS002920079; PHENOTHIAZINE, 2-CHLORO-10-(3-(DIMETHYLAMINO)PROPYL)-7-HYDROXY-; NSC-131053; 8-Chloro-10-(3-(dimethylamino)propyl)-10H-phenothiazin-3-ol; 7-Hydroxy-2-chloro-10-(3'-(dimethylamino)-N-propyl)phenothiazine; Phenothiazin-3-ol, 8-chloro-10-[3-(dimethylamino)propyl]-; 10H-Phenothiazin-3-ol, 8-chloro-10-[3-(dimethylamino)propyl]-; 8-Chloro-10-[3-(dimethylamino)propyl]-10H-phenothiazin-3-ol; 7-Hydroxy-2-chloro-10-[3'-(dimethylamino)-N-propyl]phenothiazine; hydroxychlorpromazine; NSC 131053; BRN 1021503; CHEMBL909; 7-OH-CHLORPROMAZINE; NCIStruc1_001431; NCIStruc2_001713; SCHEMBL2389266; BDBM81812; DTXSID20175128; CHEBI:125475; ZINC1717860; CAS_16414; CCG-37119; NCGC00014306; NCI131053; NSC_16414; NCGC00014306-02; NCGC00097415-01; NCI60_000684; SMR001797676; WLN: T C666 BN ISJ B3N1&1 EG LQ; Q27216094; 8-Chloro-10-[3-(dimethylamino)propyl]-10H-phenothiazin-3-ol #; Phenothiazin-3-ol, 8-chloro-10-(3-(dimethylamino)propyl)- (8CI); 10H-Phenothiazin-3-ol, 8-chloro-10-(3-(dimethylamino)propyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131053	.	.	.	.	334.9	C17H19ClN2OS	52	371	4.8	22	1	4	4	"InChI=1S/C17H19ClN2OS/c1-19(2)8-3-9-20-14-6-5-13(21)11-17(14)22-16-7-4-12(18)10-15(16)20/h4-7,10-11,21H,3,8-9H2,1-2H3"	CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)Cl	HICFFJZGXWEIHN-UHFFFAOYSA-N
DG50299	Pyronine B	16524	"PYRONINE B; 2150-48-3; Pyronin B; Pyronine B(By); 3,6-Bis(diethylamino)xanthylium chloride; Pyronine B, purified; Pyronin B Certified; C.I. 45010; NSC44690; Xanthylium, 3,6-bis(diethylamino)-, chloride; UNII-N3P889IX5O; N3P889IX5O; CHEBI:90405; Xanthylium, 3,6-bis(diethylamino)-, chloride (1:1); [6-(diethylamino)xanthen-3-ylidene]-diethylazanium;chloride; (6-(Diethylamino)-3H-xanthen-3-ylidine)diethylammonium chloride; N-(6-(Diethylamino)-3H-xanthen-3-ylidine)-N-ethylethanaminium chloride; C21H27ClN2O; 6-(DIETHYLAMINO)-N,N-DIETHYL-3H-XANTHEN-3-IMINIUM CHLORIDE; E tetraethylpyronin; EINECS 218-429-9; NSC 44690; AI3-52461; SCHEMBL94357; CHEMBL1973844; DTXSID1062209; Ammonium, (6-(diethylamino)-3H-xanthen-3-ylidene)diethyl-, chloride; Ammonium, (6-diethylamino-3H-xanthen-3-ylidene)diethyl-, chloride; Ammonium, diethyl(6-(diethylamino)-3H-xanthen-3-ylidene)-, chloride; Ci 45010; MFCD00011932; MFCD03701356; NSC-44690; CI45010; PYRONIN B FERRIC CHLORIDE COMPLEX; M870; FT-0759526; Q27162518; Xanthylium,3,6-bis(diethylamino)-, chloride (1:1); N-(6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethylethanaminium chloride; Ethanaminium, N-(6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethyl-, chloride (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	44690	.	.	.	.	358.9	C21H27ClN2O	15.5	530	.	25	0	3	5	"InChI=1S/C21H27N2O.ClH/c1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18;/h9-15H,5-8H2,1-4H3;1H/q+1;/p-1"	CCN(CC)C1=CC2=C(C=C1)C=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-]	CXZRDVVUVDYSCQ-UHFFFAOYSA-M
DG50300	Azaribine	16574	"AZARIBINE; 2169-64-4; Triazure; 6-Azaribine; Azaribinum; Azaribina; Triacetyl-6-azauridine; 2',3',5'-Tri-O-acetyl-6-azauridine; 6-Azauridine 2',3',5'-triacetate; Azauridine triacetate; NSC 67239; UNII-K1U80DO9EB; K1U80DO9EB; MLS000069488; CB 304; TA-Azur; 2-beta-D-Ribofuranosyl-as-triazine-3,5(2H,4H)-dione 2',3',5'-triacetate; 1,2,4-Triazine-3,5(2H,4H)-dione, 2-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-; NCGC00022391-04; SMR000059052; 6-AzUR-TA; 2',3',5'-Triacetyl-6-azauridine; NSC-67239; DSSTox_CID_2635; 2-(2',3',5'-Triacetyl-beta-D-ribofuranosyl)-as-triazine-3,5-(2H,4H)-dione; DSSTox_RID_76667; DSSTox_GSID_22635; 2-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione; (2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)tetrahydrofuran-3,4-diyl diacetate; CAS-2169-64-4; 6-Azauridin-triacetat; Azaribinum [INN-Latin]; Azaribina [INN-Spanish]; CB-304; 6-Azauracilribosid-triacetat; Azaribine [USAN:INN:BAN]; NSC67239; Azaribine,6-; Triazure (TN); AZR; EINECS 218-515-6; BRN 0631776; AI3-52937; Azaribine (USAN/INN); Opera_ID_1475; SCHEMBL117540; REGID_for_CID_16574; CHEMBL515914; DTXSID1022635; CHEBI:88272; HMS2230B12; ZINC4214908; Tox21_110878; as-Triazine-3,5(2H,4H)-dione, 2-beta-D-ribofuranosyl-, triacetate; AKOS015913256; Tox21_110878_1; MCULE-2937549601; 2-(beta-D-ribofuranosyl)-1,2,4-triazin-3,5(2H,4H)-dion 2',3',5'-triacetat; as-Triazine-3,5-(2H,4H)-dione, 2-(2',3',5'-triacetyl-beta-D-ribofuranosyl)-; NCGC00022391-05; [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(3,5-dioxo(4H-1,2,4-triazin-2-yl))oxolan-2-yl ]methyl acetate; [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(3,5-dioxo-1,2,4-triazin-2-yl)oxolan-2-yl]methyl acetate; (-)-6-Azauridine 2',3',5'-triacetate; 2'-O,3'-O,5'-O-Triacetyl-6-azauridine; D03029; A815612; SR-01000003016; SR-01000003016-2; Q27160156; as-Triazine-3,5(2H,4H)-dione, 2-beta-D-ribofuranosyl-, 2',3',5'-triacetate (8CI); [(2R,3R,4R,5R)-3,4-diacetoxy-5-(3,5-dioxo-1,2,4-triazin-2-yl)tetrahydrofuran-2-yl]methyl acetate; Acetic acid 3,4-diacetoxy-5-(3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-tetrahydro-furan-2-ylmethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67239	.	.	.	.	371.3	C14H17N3O9	150	662	-0.2	26	1	10	8	"InChI=1S/C14H17N3O9/c1-6(18)23-5-9-11(24-7(2)19)12(25-8(3)20)13(26-9)17-14(22)16-10(21)4-15-17/h4,9,11-13H,5H2,1-3H3,(H,16,21,22)/t9-,11-,12-,13-/m1/s1"	CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)C=N2)OC(=O)C)OC(=O)C	QQOBRRFOVWGIMD-OJAKKHQRSA-N
DG50301	Diallyl disulfide	16590	"DIALLYL DISULFIDE; 2179-57-9; Allyl disulfide; Diallyldisulfide; Diallyl disulphide; 1,2-Diallyldisulfane; Disulfide, di-2-propenyl; 2-Propenyl disulphide; Allyl disulphide; 4,5-Dithia-1,7-octadiene; 3-(prop-2-enyldisulfanyl)prop-1-ene; 3-Allyldisulfanyl-Propene; UNII-5HI47O6OA7; Disulfide, di-2-propen-1-yl; 5HI47O6OA7; CHEBI:4488; CHEMBL366603; 3-(Allyldisulfanyl)-1-propene; Di-2-propenyl disulfide, 9CI; MFCD00008656; 3-(prop-2-en-1-yldisulfanyl)prop-1-ene; 2-Propenyl disulfide; Di(2-propenyl) disulfide; diallyldisulphide; FEMA No. 2028; 3-(allyldisulfanyl)prop-1-ene; CCRIS 6290; HSDB 595; Garlicin ; diAllS2; EINECS 218-548-6; NSC 29228; di-Propenyl disulfide; BRN 1699241; di-2-propenyldisulfide; di-2-Propenyl disulfide; AI3-35128; DSSTox_CID_15206; DSSTox_RID_79248; DSSTox_GSID_35206; SCHEMBL93944; SPECTRUM1505174; 3,3'-dithiobis(prop-1-ene); Allyl disulfide, >=80%, FG; DTXSID9035206; FEMA 2028; 3-(Allyldisulfanyl)-1-propene #; NSC29228; ZINC1531082; 3,3'-disulfanediylbis(prop-1-ene); Tox21_302178; 7491AF; BDBM50318453; Diallyl disulfide, >=98% (HPLC); NSC-29228; NSC797351; Diallyl disulfide, analytical standard; 3-(prop-2-enyldisulfanyl)-1-propene; AKOS015840490; Allyl disulfide, technical grade, 80%; CCG-214421; HY-W015635; MCULE-7486690483; NSC-797351; NCGC00095294-01; NCGC00095294-02; NCGC00255533-01; NCI60_002410; CAS-2179-57-9; DB-003623; D0071; FT-0624594; C08369; D89587; A815665; Q419633; SR-05000002379; J-014293; SR-05000002379-1; UNII-609MRV3T0J component PFRGXCVKLLPLIP-UHFFFAOYSA-N; Allyl disulfide, United States Pharmacopeia (USP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	29228	.	.	.	.	146.3	C6H10S2	50.6	58.9	2.2	8	0	2	5	"InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2"	C=CCSSCC=C	PFRGXCVKLLPLIP-UHFFFAOYSA-N
DG50302	Victoria Blue R	16599	"Victoria Blue R; Basic Blue 11; 2185-86-6; BASIC BLUE K; Victoria Blue RS; Victoria Lake Blue R; Hidaco Victoria Blue R; Aizen Victoria Blue BOH; C.I. Basic Blue 11; C.I. 44040; CI 44040; MFCD00011876; [4-[bis[4-(dimethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium;chloride; Methanaminium, N-(4-((4-(dimethylamino)phenyl)(4-(ethylamino)-1-naphthalenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, chloride; Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride (1:1); vic-toria blue r; Methanaminium, N-(4-((4-(dimethylamino)phenyl)(4-(ethylamino)-1-naphthalenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, chloride (1:1); Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride; EINECS 218-572-7; NSC 11240; VICTORIABLUER; C.I. Basic Blue 11 (7CI,8CI); C29H32ClN3; SCHEMBL125523; SCHEMBL2856656; SCHEMBL23064843; SCHEMBL23064844; CHEBI:90518; DTXSID90883804; NSC11240; NSC-11240; Victoria Blue R (C.I. 44040); Victoria Blue R, Dye content 80 %; AKOS000283093; AKOS015901187; AKOS030241786; N,N'-(N,N'-Tetramethyl)-1-diaminodiphenylnaphthylaminomethane hydrochloride; MCULE-3666948173; (4-((4-(Dimethylamino)phenyl)(4-(ethylamino)-1-naphthyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium chloride; 4-{[4-(dimethylamino)phenyl][4-(ethylamino)naphthalen-1-yl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride; O789; Q7927164; W-107515; N-(4-((4-(Dimethylamino)phenyl)(4-(ethylamino)naphthalen-1-yl)methylene)cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride; N-(4-((4-(dimethylamino)phenyl)(4-(ethylamino)naphthalen-1-yl)methylene)cyclohexa-2,5-dienylidene)-N-methylmethanaminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11240	.	.	.	.	458	C29H32ClN3	20.4	670	.	33	1	3	5	"InChI=1S/C29H31N3.ClH/c1-6-30-28-20-19-27(25-9-7-8-10-26(25)28)29(21-11-15-23(16-12-21)31(2)3)22-13-17-24(18-14-22)32(4)5;/h7-20H,6H2,1-5H3;1H"	CC[NH+]=C1C=CC(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C4=CC=CC=C14.[Cl-]	JEVGKYBUANQAKG-UHFFFAOYSA-N
DG50303	Dienochlor	16686	"Dienochlor; 2227-17-0; Decachlor; PENTAC; Pentac SP; Pentac WP; Dienochlore; Hooker hrs-16; Hooker HRS 1654; Bis(pentachlorocyclopentadienyl); HRS 16A; Decachlorobi-2,4-cyclopentadien-1-yl; HRS 1654; Bis(pentachloro-2,4-cyclopentadien-1-yl); Decachlorobi-2,4-cyclopentadiene-1-yl; ENT 25,718; Decachlorobis(2,4-cyclopentadiene-1-yl); Bis(pentachlor-2,4-cyclopentadien-1-yl); NSC 26106; NSC 41880; Bi-2,4-cyclopentadien-1-yl, 1,1',2,2',3,3',4,4',5,5'-decachloro-; UNII-243Z2SVZ40; Bi-2,4-cyclopentadien-1-yl, decachloro-; 1,2,3,4,5-pentachloro-5-(1,2,3,4,5-pentachlorocyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene; HRS 16; CHEBI:81753; 243Z2SVZ40; 1,1',2,2',3,3',4,4',5,5'-Decachlorobi-2,4-cyclopentadien-1-yl; Bi-2, decachloro-; Caswell No. 274; perchloro-[1,1'-bi(cyclopentane)]-2,2',4,4'-tetraene; Pentac (50WP); Dienochlor [BSI:ISO]; Dienochlore [ISO-French]; CCRIS 9112; HRS-16; HSDB 1557; EINECS 218-763-5; EPA Pesticide Chemical Code 027501; BRN 2064747; Bi-2, 1,1',2,2',3,3',4,4',5,5'-decachloro-; Decachlorobis(2,4-cyclopentadien-1-yl); Perchloro-1,1'-bicyclopenta-2,4-diene; Perchloro-1,1'-bicyclopenta-2,4-dienyl; Pentac aquaflow; AI3-25718; WLN: L5 AHJ AG BG CG DG EG A- AL5 AHJ AG BG CG DG EG; 4-05-00-01542 (Beilstein Handbook Reference); SCHEMBL117767; CHEMBL1355965; DTXSID9032371; NSC26106; NSC41880; NSC-26106; NSC-41880; ZINC17654963; AKOS015903347; MCULE-6209629508; NCGC00166129-01; perchloro-1,1'-bi(cyclopenta-2,4-diene); DB-045862; FT-0634148; Dienochlor, PESTANAL(R), analytical standard; C18446; J-014617; Q3032700; Bi-2,4-cyclopentadien-1-yl, 1,1',2,2',3,3',4,4',5,5'-decachloro- (8CI)(9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	41880	.	.	.	.	474.6	C10Cl10	0	530	6.3	20	0	0	1	"InChI=1S/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18"	C1(=C(C(C(=C1Cl)Cl)(C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl	LWLJUMBEZJHXHV-UHFFFAOYSA-N
DG50304	Phenethyl isothiocyanate	16741	"2-Phenylethyl isothiocyanate; Phenethyl isothiocyanate; 2257-09-2; Phenylethyl isothiocyanate; (2-Isothiocyanatoethyl)benzene; Phenethyl mustard oil; Benzene, (2-isothiocyanatoethyl)-; Phenylaethylsenfoel; 2-isothiocyanatoethylbenzene; PEITC; Phenylethyl mustard oil; PHENETHYLISOTHIOCYANATE; phenethyl-isothiocyanate; 2-phenethyl isothiocyanate; 2-phenylethylisothiocyanate; ISOTHIOCYANIC ACID, PHENETHYL ESTER; beta-Phenethyl isothiocyanate; beta-Phenylethyl isothiocyanate; CHEBI:351346; MFCD00004821; NSC 87868; UNII-6U7TFK75KV; 6U7TFK75KV; CHEMBL151649; .beta.-Phenethyl isothiocyanate; 1-Isothiocyanato-2-phenylethane; .beta.-Phenylethyl isothiocyanate; 1-(2-isothiocyanatoethyl)benzene; (2-Isothiocyanato-ethyl)-benzene; Isothiocyanic Acid 2-Phenylethyl Ester; JC-5411; Phenylaethylsenfoel [German]; 1-ISOTHIOCYANATO-2-PHENYLETHANE (1,1,2,2-D4); CCRIS 3146; EINECS 218-855-5; BRN 2084162; DSSTox_CID_1120; WLN: SCN2R; beta-phenethylisothiocyanate; ss-Phenethyl isothiocyanate; Epitope ID:138724; b-phenylethyl isothiocyanate; DSSTox_RID_75951; DSSTox_GSID_21120; 2-phenyl ethyl isothiocyanate; SCHEMBL156960; Phenethyl isothiocyanate, 99%; DTXSID5021120; IZJDOKYDEWTZSO-UHFFFAOYSA-; (2-Isothiocyanatoethyl)benzene #; 2-Phenylethyl isothiocyanate, FG; HMS1783C17; HMS3870G13; NSC87868; ZINC2022074; Tox21_200100; (2-Isothiocyanatoethyl)benzene, 9CI; BBL009999; BDBM50240850; JC5411; NSC-87868; STK397325; AKOS000119469; DB12695; JC 5411; JC 5411JC-5411; MCULE-7681211375; Isothiocyanic acid beta-phenylethyl ester; NCGC00248526-01; NCGC00257654-01; AC-12769; AS-17373; BP-12941; NCI60_041942; U800; CAS-2257-09-2; DB-045947; Isothiocyanic acid .beta.-phenylethyl ester; FT-0604634; P0986; Phenethyl isothiocyanate, analytical standard; D92051; 4-12-00-02476 (Beilstein Handbook Reference); A816267; J-802164; Q7181339; W-107466; BRD-K56700933-001-02-1; F0001-0795"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87868	.	.	.	.	163.24	C9H9NS	44.4	144	3.5	11	0	2	3	"InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2"	C1=CC=C(C=C1)CCN=C=S	IZJDOKYDEWTZSO-UHFFFAOYSA-N
DG50305	5-Nitrosotropolone	16807	"5-Nitrosotropolone; RCH 108; 2297-94-1; 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-5-NITROSO-; RCH-108; BRN 2043142; SCHEMBL916360; DTXSID50879046; NSC53101; ZINC4722102; NSC 53101; NSC-53101; 2,6-Cycloheptatrien-1-one, 2-hydroxy-5-nitroso-; 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one; 5-(Hydroxyimino)-3,6-cycloheptadiene-1,2-dione; 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one #; 2,4,6-CYCLOHEPTATRIENE-1-ONE, 2-HYDROXY-5-NITROS"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	53101	.	.	.	.	151.12	C7H5NO3	66.7	286	0.8	11	1	4	0	"InChI=1S/C7H5NO3/c9-6-3-1-5(8-11)2-4-7(6)10/h1-4H,(H,9,10)"	C1=CC(=O)C(=CC=C1N=O)O	FYTNKOSUJSUKML-UHFFFAOYSA-N
DG50306	Thioflavin T	16953	"Thioflavin T; Thioflavine T; 2390-54-7; Basic yellow 1; 2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzo[d]thiazol-3-ium chloride; Setoflavine T; C.I. Basic Yellow 1; Tannoflavine T; Setoflavin T; Rhoduline Yellow; Thioflavin TG; Thioflavine TCN; Thioflavine TG; Citroflavine 8G; Primoflavine 8G; Thioflavin TCN; Basic Yellow T; Purimofurabin 8G; Acronol Yellow T; Thioflavine TCND; C.I. 49005; Acronol Yellow TC; Methylene Yellow N; Brilliant Flavine T; Methylene Yellow NI; Thioflavin TCN extra; Acronol Lake Yellow T; Acronol Lake Yellow TC; Acronol Yellow TC180; Nankai Basic Flavine 8G; Kansai Basic Flavine 8GO; MFCD00011944; Thioflavine; Benzothiazolium, 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-, chloride; UNII-CAX9SG0II0; CAX9SG0II0; 1326-12-1; Methyldehydrothio-p-toluidine sulfonate; CHEMBL224392; CHEBI:76023; 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline chloride; 3,6-Dimethyl-2-dimethylaminophenylbenzothiazolium chloride; 2-[4-(DIMETHYLAMINO)PHENYL]-3,6-DIMETHYLBENZOTHIAZOLIUM CHLORIDE; 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium chloride; Benzothiazolium, 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-, chloride (1:1); 2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzothiazolium chloride; Benzothiazolium, 2-(4-(dimethylamino)phenyl)-3,6-dimethyl-, chloride; 2-[4-(Dimethylamino)phenyl]-3,6-dimethylbenzo[d]thiazol-3-ium Chloride; 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;chloride; Benzothiazolium, 2-(4-(dimethylamino)phenyl)-3,6-dimethyl-, chloride (1:1); EINECS 219-228-9; NSC 11235; Benzothiazolium, 2-(p-(dimethylamino)phenyl)-3,6-dimethyl-, chloride; SCHEMBL25298; Basic Yellow 1Basic Yellow 1; SCHEMBL11428556; DTXSID10883841; AMY37135; HY-D0218; NSC11235; NSC-11235; Benzothiazolium,6-dimethyl-, chloride; AKOS016007447; CS-7552; CS-W009025; MCULE-5464762736; Thioflavin T - CAS 2390-54-7; Thioflavin T, used as stain for amyloid; AS-72625; BP-30130; SY074376; FT-0744526; T0558; Z4469; O10470; T-3730; A930157; Q2033625; 2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzo-[d]thiazol-3-ium chloride; 2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzo[d]thiazol-3-ium chloride (Thioflavin T); Benzothiazolium, 2-(p-(dimethylamino)phenyl)-3,6-dimethyl-, chloride (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11235	.	.	.	.	318.9	C17H19ClN2S	35.4	325	.	21	0	3	2	"InChI=1S/C17H19N2S.ClH/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3;/h5-11H,1-4H3;1H/q+1;/p-1"	CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C.[Cl-]	JADVWWSKYZXRGX-UHFFFAOYSA-M
DG50307	Ethyl violet	16955	"Ethyl violet; Basic Violet 4; 2390-59-2; C.I. Basic Violet 4; Ethyl Violet AX; C.I. 42600; Ethyl Violet GGA; Ethyl crystal violet; Shikiso Acid Brilliant Blue 6B; Ethyl Violet (Biological Stain); UNII-94UZ9RD7TJ; MFCD00011765; ethylviolet; 94UZ9RD7TJ; MLS002702521; CHEBI:88010; Ethyl Violet (C.I. 42600); (4-(Bis(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)diethylammonium chloride; [4-[bis[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium;chloride; Lowacryl Violet 4; Ethanaminium, N-(4-(bis(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride; Ethanaminium,N-[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride; MLS001359914; Ethyl crystal violet; Lowacryl Violet 4; Shikiso Acid Brilliant Blue 6B; Ethyl purple 6B; Ethanaminium, N-[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride; CCRIS 2452; NSC 8675; SMR001224407; EINECS 219-231-5; C31H42N3.Cl; Ethanaminium, N-(4-(bis(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride (1:1); Ethanaminium, N-[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1); SCHEMBL81879; CHEMBL1698845; DTXSID5038913; C.I. Basic Violet 4 (8CI); NSC8675; HMS3053C17; NSC-8675; 6932AF; AKOS015903204; MCULE-8318148980; 4-{bis[4-(diethylamino)phenyl]methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium chloride; AS-83517; Ethyl Violet, cationic triarylmethane dye; CS-0022145; FT-0622588; D90458; A878107; J-015265; Q10391665; Ethyl Violet [Sensitive spectrophotometric reagent for anionic surfactants]; N-(4-{bis[4-(diethylamino)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8675	.	.	.	.	492.1	C31H42ClN3	9.5	615	.	35	0	3	10	"InChI=1S/C31H42N3.ClH/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;/h13-24H,7-12H2,1-6H3;1H/q+1;/p-1"	CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=C(C=C3)N(CC)CC.[Cl-]	JVICFMRAVNKDOE-UHFFFAOYSA-M
DG50308	8-(Dimethylamino)methyleneamino-6-methoxyquinoline	16986	"NSC665668; BRN 0476093; 8-(Dimethylamino)methyleneamino-6-methoxyquinoline; 2401-80-1; FORMAMIDINE, N,N-DIMETHYL-N'-(6-METHOXY-8-QUINOLINYL)-; CHEMBL1984863; NSC-665668; NCI60_022655; N'-(6-methoxy-8-quinolyl)-N,N-dimethyl-formamidine; N'-(6-Methoxy-8-quinolinyl)-N,N-dimethylimidoformamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665668	.	.	.	.	229.28	C13H15N3O	37.7	267	1.7	17	0	3	3	"InChI=1S/C13H15N3O/c1-16(2)9-15-12-8-11(17-3)7-10-5-4-6-14-13(10)12/h4-9H,1-3H3"	CN(C)C=NC1=C2C(=CC(=C1)OC)C=CC=N2	BUXTWLVXBUNDQZ-UHFFFAOYSA-N
DG50309	Triglycidyl isocyanurate	17142	"Triglycidyl isocyanurate; 2451-62-9; 1,3,5-Triglycidyl isocyanurate; Teroxirone; 1,3,5-tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione; TGIC; Triglycidylisocyanurate; Tris(2,3-epoxypropyl) isocyanurate; Glycidyl isocyanurate; Tri(epoxypropyl)isocyanurate; Tris(2,3-epoxypropyl)isocyanurate; Tris(epoxypropyl) isocyanurate; 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-; XB 2615; Triglycidyl Isocyanurate (TGIC); Tris(2-epoxypropyl) isocyanurate; 1,3,5-Triglycidylisocyanuric acid; N,N',N''-Triglycidyl isocyanurate; MLS002703049; TGT; DTXSID4026262; s-Triazine-2,4,6(1H,3H,5H)-trione, tris(2,3-epoxypropyl)-; Isocyanuric Acid Triglycidyl Ester; s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2,3-epoxypropyl)-; NSC-296934; NSC296934; NCGC00091182-01; DSSTox_CID_6262; Isocyanuric Acid Tris(2,3-epoxypropyl) Ester; 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-oxiranylmethyl)-; NSC 296964; BRN 0765833; DSSTox_RID_78079; DSSTox_GSID_26262; 1,5-Triglycidyl isocyanurate; 1,5-Triglycidylisocyanuric acid; Araldite PT 810; Henkel's compound; ALPHATGI; 1,3,5-Triglycidyl-s-triazinetrione; Tris(epoxypropyl)isocyanurate; SMR001223822; CAS-2451-62-9; NSC 296934; CCRIS 6112; HSDB 7188; EINECS 219-514-3; s-Triazine-2,6(1H,3H,5H)-trione, 1,3,5-tris(2,3-epoxypropyl)-; 1,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-; 1,3,5-Tris(oxiranylmethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione; GATGI; NSC 269934; EC 219-514-3; SCHEMBL4932; Isocyanuricacidtriglycidylester; 28825-96-9; MLS006011655; CHEMBL453863; .alpha.-triglycidyl isocyanurate; BDBM442751; Tox21_111097; Tox21_201660; Tox21_300119; MFCD00080670; NSC296964; s2427; Triglycidyl Isocyanurate (Teroxirone); AKOS000269627; AKOS016039416; CS-W012150; HY-W011434; MCULE-5172595440; NSC-296964; NCGC00091182-02; NCGC00091182-03; NCGC00091182-04; NCGC00091182-05; NCGC00091182-06; NCGC00091182-07; NCGC00254066-01; NCGC00259209-01; AC-18356; AS-12208; NCI60_002484; DB-046472; FT-0627405; I0428; Tris(2,3-epoxypropyl)-1,3,5-triazinantrion; F20307; Tris(2,3-epoxypropyl) Isocyanurate Isocyanurate; A817349; Q2453240; Triglycidyl Isocyanurate (Electronic Grade, Type 1); Triglycidyl Isocyanurate (Electronic Grade, Type 2); W-107310; F0777-0193; Triglycidyl Isocyanurate (Powder Coating Grade, Type 7); Triglycidyl Isocyanurate (Powder Coating Grade, Type 8); 1,3,5-Triglycidyl isocyanurate(Columns or Chunks or pellets); 1,3,5-Tris(2-oxiranylmethyl)-1,3,5-triazinane-2,4,6-trione; 1,3,5-Tris(2-oxiranylmethyl)-1,3,5-triazinane-2,4,6-trione #; 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris(2-oxiranylmethyl)-, homopolymer; 1,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-, (.alpha.)-; 1,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-, (.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	296934	.	.	.	.	297.26	C12H15N3O6	98.5	416	-1.5	21	0	6	6	"InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2"	C1C(O1)CN2C(=O)N(C(=O)N(C2=O)CC3CO3)CC4CO4	OUPZKGBUJRBPGC-UHFFFAOYSA-N
DG50310	Auramine O	17170	"Auramine O; 2465-27-2; Basic Yellow 2; AURAMINE HYDROCHLORIDE; Auramin; Mitsui Auramine O; Auramine Yellow; C.I. Basic Yellow 2; Aizen auramine; Auramine Extra; Auramine Pure; Auramine N; Auramine chloride; Auramine FA; Auramine II; Auramine ON; Auramine OS; Auramine SP; Auramine FWA; Auramine OOO; Adc Auramine O; Auramine A1; Aizen auramine OH; Calcozine Yellow OX; Auramine 0-100; Auramine OO; Auramine-O; Auramine Lake Yellow O; Auramine Extra Conc. A; Aizen Auramine conc.SFA; Basic Yellow 2, fugitive; Aizen Auramine Conc. SFA; Auramine O (biological stain); C.I. 41000; C.I. Basic Yellow 2, Monohydrochloride; Auramine O Extra Conc. A Export; 4,4'-(Iminomethylene)bis(N,N-dimethylaniline) hydrochloride; UNII-DL992L7W39; (Tetramethyldiamino)diphenylketoimine hydrochloride; Auramine conc. specially soluble in spirit; 1,1-Bis(p-dimethylaminophenyl)methylenimine hydrochloride; MFCD00012484; Benzenamine, 4,4'-carbonimidoylbis[N,N-dimethyl-, monohydrochloride; 4:4'-Bis(dimethylamino)benzophenone-imine hydrochloride; 4,4'-Bis(dimethylamino)-benzhydrylidenimine hydrochloride; 4,4'-(Imidocarbonyl)bis(N,N-dimethylamine), monohydrochloride; CHEBI:51876; Auramine, monohydrochloride; Benzophenoneidum; DL992L7W39; 4,4'-carbonimidoylbis(N,N-dimethylaniline) hydrochloride; Auramine, hydrochloride; Benzenamine, 4,4'-carbonimidoylbis(N,N-dimethyl-, monohydrochloride; DSSTox_CID_114; Zlut zasadita 2; DSSTox_RID_75376; Auramine O;Auramine Yellow;C.I. Basic Yellow 2; DSSTox_GSID_20114; Auramine (VAN); CI Basic Yellow 2; 4,N-dimethylamine] monohydrochloride; Pyoctaninum aureum; Auramine O (C.I. 41000); CAS-2465-27-2; WLN: 1N1&R DYUM&R DN1&1 &GH; CCRIS 1635; HSDB 5532; NSC 4045; EINECS 219-567-2; NSC 47707; NSC 93737; 4:4'-Bis(dimethylamino)benzophenoneimine hydrochloride; CI Basic Yellow 2, monohydrochloride; 4,4'-Bis(dimethylamino)benzhydrylidenimine hydrochloride; Aniline,4'-imidocarbonylbis[N,N-dimethyl-, hydrochloride; CI 41000; Aniline,4'-imidocarbonylbis[N,N-dimethyl-, monohydrochloride; C17H21N3.HCl; Benzenamine,4'-carbonimidoylbis[N,N-dimethyl-, monohydrochloride; 4,4'-Carbonimidoylbis(N,N-dimethylaniline) monohydrochloride; Benzenamine, 4,4'-carbonimidoylbis(N,N-dimethyl-, hydrochloride (1:1); Benzenamine, 4,4'-carbonimidoylbis[N,N-dimethyl-, hydrochloride (1:1); 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline hydrochloride; Auramine O, indicator; Aniline, 4,4'-(imidocarbonyl)bis(N,N-dimethyl-, hydrochloride; Aniline, 4,4'-imidocarbonylbis(N,N-dimethyl-, monohydrochloride; Benzenamine, 4,4'-carbonimidoylbis(N,N-dimethyl)-, monohydrochloride; SCHEMBL142515; CHEMBL1612246; DTXSID9020114; Solvent Yellow 34 Hydrochloride; NSC4045; AMY22369; NSC-4045; NSC93737; Tox21_202337; Tox21_303002; NSC-93737; AKOS000283034; MCULE-3264911424; NCGC00091235-01; NCGC00256596-01; NCGC00259886-01; L989; A0334; CS-0016905; FT-0622507; EN300-74228; C.I. Basic Yellow 2, monohydrochloride (8CI); D88246; A877845; bis[4-(dimethylamino)phenyl]methaniminium chloride; J-015616; Q2025070; Z1266933828; 4,4-(Iminomethylene)bis(N,N-dimethylaniline) hydrochloride; 4,4'-(Imidocarbonyl)bis(N,N-dimethylaniline) monohydrochloride; 4,4'-(Imidocarbonyl)bis(N,N-dimethylaniline)monohydrochloride; 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride; Auramine O, Dye content 85 %, certified by the Biological Stain Commission; 4-{[4-(Dimethylamino)phenyl]carboximidoyl}-N,N-dimethylaniline hydrochloride (Auramine O); Auramine O, Dye content >=80 %, certified by the Biological Stain Commission"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4045	.	.	.	.	303.8	C17H22ClN3	30.3	278	.	21	2	3	4	"InChI=1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H"	CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl	KSCQDDRPFHTIRL-UHFFFAOYSA-N
DG50311	Diacetamate	17499	"Diacetamate; 2623-33-8; 4-Acetamidophenyl acetate; 4'-Acetoxyacetanilide; P-ACETOXYACETANILIDE; Acetaminophen acetate; 4-Acetoxyacetanilide; Acetamide, N-[4-(acetyloxy)phenyl]-; Diacetamat; N,O-Diacetyl-4-aminophenol; (4-acetamidophenyl) acetate; 4-(Acetylamino)phenyl acetate; N-Acetyl-4-aminophenyl acetate; UNII-BFG1TY61BG; N-[4-(Acetyloxy)phenyl]acetamide; NSC 6083; NSC 33893; BFG1TY61BG; Acetaminophen Related Compound A; NSC-6083; NSC-33893; Acetamide, N-(4-(acetyloxy)phenyl)-; NCGC00160605-01; Acetanilide, acetate (ester); Diacetamato; Diacetamatum; O-Acetylparacetamol; Diacetamate [INN:BAN]; Diacetamatum [INN-Latin]; Diacetamato [INN-Spanish]; 4-(Acetylamino)phenyl Acetate (N,O-Diacetyl-4-aminophenol); Acetaminophen Acetate (Acetaminophen Impurity); EINECS 220-077-6; AI3-17250; Acetanilide, 4'-hydroxy-, acetate (ester); Maybridge1_006198; N,o-diacetyl-4-aminopheno; O,N-Diacetyl-4-aminophenol; DSSTox_CID_26256; DSSTox_RID_81483; DSSTox_GSID_46256; MLS006011695; SCHEMBL863106; ZINC1270; CHEMBL2106185; DTXSID2046256; HMS559B16; NSC6083; HMS3264O15; Pharmakon1600-01504515; Acetanilide, 4'-hydroxy-, acetate; NSC33893; Tox21_111931; MFCD00059205; NSC758889; STL034244; AKOS002255264; 3-(4-METHYLBENZOYL)ACRYLICACID; Acetic acid 4-acetylamino-phenyl ester; CCG-213946; MCULE-7450489807; NSC-758889; Acetic acid 4-(acetylamino)phenyl ester; AS-48014; HY-66004; SMR002530013; CAS-2623-33-8; SBI-0207076.P001; A0067; CS-0005650; FT-0661040; VU0606051-1; F17539; AB01563223_01; AG-670/32634053; SR-01000872731; 4'-Acetoxyacetanilide (Acetaminophen RCA) solution; Acetanilide, 4'-hydroxy-, acetate (ester) (8CI); J-016335; SR-01000872731-1; BRD-K93611241-001-01-4; Q27274637; F3228-0190; 4'-Acetoxyacetanilide (Acetaminophen RCA) solution, 250 mug/mL in acetonitrile, certified reference material, ampule of 1 mL"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758889	.	.	.	.	193.2	C10H11NO3	55.4	219	0.8	14	1	3	3	"InChI=1S/C10H11NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h3-6H,1-2H3,(H,11,12)"	CC(=O)NC1=CC=C(C=C1)OC(=O)C	UJAOSPFULOFZRR-UHFFFAOYSA-N
DG50312	6-Chrysenamine	17534	"6-Chrysenamine; 6-AMINOCHRYSENE; 2642-98-0; chrysen-6-amine; Chrysenex; Chrysen-6-ylamine; Chrysonex; 6-Amc; UNII-I56L81BL2L; MLS002694408; CHEMBL313154; I56L81BL2L; CCRIS 755; EINECS 220-149-7; NSC 80186; BRN 2114213; AI3-52707; 6-Aminochrysene, 95%; NCIOpen2_004212; SCHEMBL93764; CHEBI:93927; DTXSID70181017; WLN: L E6 B666J MZ; HMS3089G14; HMS3749O15; NSC80186; ZINC1482006; BDBM50128871; NSC-80186; AKOS015903205; CS-7953; MCULE-8467806212; SMP2_000116; SMR001560337; DB-046951; HY-108315; FT-0634423; A818443; J-016423; BRD-K00656370-001-01-4; Q27165680"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80186	.	.	.	.	243.3	C18H13N	26	326	5	19	1	1	0	"InChI=1S/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2"	C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)N	KIVUHCNVDWYUNP-UHFFFAOYSA-N
DG50313	"1,2,4-Trichloro-3,5-dinitrobenzene"	17584	"1,2,4-Trichloro-3,5-dinitrobenzene; Olpizan; 2678-21-9; Brassisan; UNII-539V5Y7R7K; Benzene, 1,2,4-trichloro-3,5-dinitro-; 1,3-Dinitro-2,4,5-trichlorobenzene; 1,2,5-TRICHLORO-4,6-DINITROBENZENE; 539V5Y7R7K; 3,5-dinitro-1,2,4-trichlorobenzene; 1,2,4-tri-chloro-3,5-dinitrobenzene; NSC 5278; EINECS 220-228-6; 1,3,4-Trichloro-2,6-dinitrobenzene; 2,6-Dinitro-1,3,4-trichlorobenzene; AI3-23491; 2,3,4-trichlorobenzene; SCHEMBL5579130; NIOSH/CZ7880000; DTXSID30181290; NSC5278; 1,4-Trichloro-2,6-dinitrobenzene; 1,4-Trichloro-3,5-dinitrobenzene; NSC-5278; ZINC1680815; 2,4,5-Trichlor-1,3-dinitrobenzol; AKOS004120143; Benzene,2,4-trichloro-3,5-dinitro-; 1,2,4-trichloro-3,5-dinitro-benzene; MCULE-6807795704; Benzene, 1,3-dinitro-2,4,5-trichloro-; CZ78800000; FT-0606263; 2,4,5-Trichlor-1,3-dinitrobenzol [German]; Q27261092"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5278	.	.	.	.	271.4	C6HCl3N2O4	91.6	279	3.1	15	0	4	0	InChI=1S/C6HCl3N2O4/c7-2-1-3(10(12)13)5(9)6(4(2)8)11(14)15/h1H	C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)[N+](=O)[O-]	OFMRACCIIIDSDN-UHFFFAOYSA-N
DG50314	Thiocolchicine	17648	"Thiocolchicine; Thiocholchicine; 2730-71-4; Colchicine, 10-thio-; Colchicine, 10-demethoxy-10-(methylthio)-; UNII-47541468FI; NSC186301; CHEMBL18981; N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide; 47541468FI; N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; N-((S)-1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide; MLS002703025; EINECS 220-346-8; 10-Demethoxy-10-methylthiocolchicine; EC 220-346-8; COLCHICINE, 10-DEMETHOXY-10-METHYLTHIO-; SCHEMBL43160; Acetamide, N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-; Colchicine, 10-thio- (8CI); DTXSID90181751; ZINC5203255; BDBM50009568; AKOS030242228; NSC-186301; NCGC00485411-01; NCGC00485411-02; Acetamide,N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-; NCI60_001549; HY-116852; CS-0066689; J-016725; Q27259007; (Thiocolchicine)N-(1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide; Acetamide, N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, (S)- (9CI); Acetamide, N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-; N-(1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide; N-(1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide (Thiocolchicine); N-(1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide(Thiocolchicine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	186301	.	.	.	.	415.5	C22H25NO5S	99.2	744	1.8	29	1	6	5	"InChI=1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1"	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC	CMEGANPVAXDBPL-INIZCTEOSA-N
DG50315	N-Deacetylthiocolchicine	17649	"N-Deacetylthiocolchicine; Thio-colciran; Thiolcolciran; 2731-16-0; N-Desacetylthiocolchicine; COLCHICINE, N-DEACETYL-10-THIO-; Corps R. 261; Thiocolciran; N-Deacetylmethylthiocolchicine; Colchicine, N-deacetyl-thio-; NSC9170; Benzo(a)heptalen-9(5H)-one, 7-amino-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-, (S)-; CHEMBL298240; (7S)-7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one; Deacetylthiocolchicine; Desacetyl thiocolchicine; N-Desacetyl thiocolchicine; MLS002702975; NSC 9170; BRN 2822164; R 261; (S)-7-Amino-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydrobenzo[a]heptalen-9(5H)-one; N-Deacetyl-10-demethoxy-10-methylthiocolchicine; Colchicine, N-deacetyl-10-demethoxy-10-methylthio-; N-desacetyl-thiocolchicine; N-Deacetyl-10-thiocolchicine; cid_426728; SCHEMBL5434553; DTXSID90181756; PKH 147; NSC-9170; ZINC1735168; BDBM50014875; NCI60_042026; CS-0104812; R-261; D76467; WLN: L B677 MV&T&J CO1 DO1 EO1 JZ NS1; (S)-7-Amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one; 7-Amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one; Benzo(a)heptalen-9(5H)-one, 7-amino-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-, (S)- (9CI); Benzo[a]heptalen-9(5H)-one, 7-amino-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-, (7S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9170	.	.	.	.	373.5	C20H23NO4S	96.1	642	1.5	26	1	6	4	"InChI=1S/C20H23NO4S/c1-23-16-9-11-5-7-14(21)13-10-15(22)17(26-4)8-6-12(13)18(11)20(25-3)19(16)24-2/h6,8-10,14H,5,7,21H2,1-4H3/t14-/m0/s1"	COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)N)OC)OC	NUNCOHUMTCDISK-AWEZNQCLSA-N
DG50316	Miripirium chloride	17671	"Miripirium chloride; 2748-88-1; 4-methyl-1-tetradecylpyridin-1-ium chloride; Quatresin; Myristyl-gamma-picolinium chloride; Wet-Tone B; MYRISTYL-G-PICOLINIUM CHLORIDE; Pyridinium, 4-methyl-1-tetradecyl-, chloride; 4-Methyl-1-tetradecylpyridinium chloride; Miripirium chloride [INN]; 4-methyl-1-tetradecylpyridin-1-ium;chloride; UNII-3D6CWI0P23; Tetradecyl-4-methylpyridinium chloride; 1-Myristylpicolinium; 1-TETRADECYL-4-PICOLINIUM CHLORIDE; 3D6CWI0P23; NSC-36338; Miripirium chloride (INN); Pyridinium, 4-methyl-1-tetradecyl-, chloride (1:1); Miripirii chloridum; Cloruro de miripirio; Chlorure de miripirium; Miripirii chloridum [INN-Latin]; NCGC00181085-01; Cloruro de miripirio [INN-Spanish]; EINECS 220-387-1; Chlorure de miripirium [INN-French]; NSC 36338; 4-Picolinium, 1-tetradecyl-, chloride; 4-Picolinium, chloride; DSSTox_CID_26834; DSSTox_RID_81946; DSSTox_GSID_46834; myristyl--picolinium chloride; SCHEMBL58027; 1-Myristylpicolinium Chloride; CHEMBL2107233; DTXSID2046834; BCP16386; CAA74888; EX-A5405; NSC36338; WLN: T6KJ A14 D1 &G; Myristyl-.gamma.-picolinium chloride; Tox21_112704; MFCD00050342; AKOS015891973; AM84867; Myristyl-'-picolinium chloride, 100 mg; AS-76010; CAS-2748-88-1; DB-047232; CS-0187033; FT-0603618; WLN: T6KJ A14 D &G &3/13; D10217; D97547; 1-ETHYL-2-ETHYLTHIO-6-METHOXYQUINOLINIUMIODIDE; Q27257063; 1-Tetradecyl-4-picolinium chloride 100 microg/mL in Acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36338	.	.	.	.	326	C20H36ClN	3.9	206	.	22	0	1	13	"InChI=1S/C20H36N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18-15-20(2)16-19-21;/h15-16,18-19H,3-14,17H2,1-2H3;1H/q+1;/p-1"	CCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C.[Cl-]	ZCTSINFCZHUVLI-UHFFFAOYSA-M
DG50317	"2-Amino-3-chloro-1,4-naphthoquinone"	17748	"2797-51-5; Quinoclamine; 2-Amino-3-chloro-1,4-naphthoquinone; 2-amino-3-chloronaphthalene-1,4-dione; ACNQ; Quinoclamin; Mogeton; 06K-Quinone; O 6K-quinone; 1,4-Naphthalenedione, 2-amino-3-chloro-; Mogeton granule; Mogeton G; 2-Amino-3-chloronaphthoquinone; 1,4-Naphthoquinone, 2-amino-3-chloro-; NSC 3910; 2-Chloro-3-amino-1,4-naphthoquinone; 06K-50W; UNII-JN6NK7K14F; NSC 642009; MFCD00001680; 06K; JN6NK7K14F; MLS002701536; CHEBI:81849; NSC3910; NSC642009; 2-Amino-3-chloro-[1,4]naphthoquinone; 2-amino-3-chloro-1,4-dihydronaphthalene-1,4-dione; Quinoclamine [ISO]; EINECS 220-529-2; BRN 2094762; 1, 2-amino-3-chloro-; SCHEMBL119489; Quinoclamine pound>>Quinoclamin; CHEMBL156959; DTXSID1041390; OBLNWSCLAYSJJR-UHFFFAOYSA-; WLN: L66 BV EVJ CZ DG; BCP21702; CAA79751; DNDI1416924; NSC-3910; ZINC1506256; STK260051; 3-Chloro-2-amino-1,4-naphthoquinone; AKOS000108631; DS-0569; MCULE-7890145658; NSC-642009; Quinoclamine 100 microg/mL in Acetone; RTI1218-1-1; 2-amino-3-chloro-naphthalene-1,4-dione; NCI60_014211; SMR001565137; SY047011; DB-080905; HY-121632; 2-azanyl-3-chloranyl-naphthalene-1,4-dione; A1288; BB 0218018; CS-0082921; FT-0611049; C18584; E78086; Quinoclamine, PESTANAL(R), analytical standard; A819269; 2-amino-3-chloro-1,4-dihydro-1,4-dioxonaphthalene; Q2123248; W-107083; 2-amino-3-chloro-1,4-dihydro-1,4-dioxo-naphthalene; Z57178974; Butanedioic acid,4-dihydro-1,4-dioxo- 2-naphthalenyl)amino]1,2-dioxo]ethyl]-3-oxo-, dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642009	.	.	.	.	207.61	C10H6ClNO2	60.2	335	2.1	14	1	3	0	"InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2"	C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)N	OBLNWSCLAYSJJR-UHFFFAOYSA-N
DG50318	S-Methyl methanethiosulfonate	18064	"S-Methyl methanethiosulfonate; 2949-92-0; Methyl methanethiolsulfonate; S-Methyl methanesulfonothioate; Methyl methanethiosulfonate; Methanesulfonothioic acid, S-methyl ester; Methanethiosulfonic Acid S-Methyl Ester; s-methyl methanethiolsulfonate; S-Methyl methanethiosulphonate; Methyl methanesulfonothioate; methylsulfonylsulfanylmethane; (METHANESULFONYLSULFANYL)METHANE; dimethyl thiosulfonate; UNII-0906Z2356U; methylmethanethiosulfonate; methyl methanethiolsulfate; s-methyl methylthiosulfonate; METHANESULFONIC ACID, THIO-, S-METHYL ESTER; CHEBI:74357; NSC21545; Methanethiosulfonic acid, S-methyl ester; 0906Z2356U; S-Methyl thiomethanesulfonate; CCRIS 7217; EINECS 220-970-0; NSC 21545; s-methylmethanethiosulfonate; BRN 1446059; METHYL METHANETHIO-SULFONATE; MeSSO2Me; MFCD00007565; methyl methanethiol sulfonate; methyl methanethiol-sulfonate; methylsulfonylsulfanyl-methane; s-methyl methanethionsulfonate; 4-04-00-00031 (Beilstein Handbook Reference); SCHEMBL136797; CHEMBL1236925; DTXSID8062739; ZINC4268917; S-Methyl methanethiosulfonate, 97%; BBL104000; NSC-21545; STL557811; AKOS006221195; CS-W004461; MCULE-2094653694; MS-20744; A5499; AM20080910; FT-0600785; FT-0671958; FT-0671959; M1382; H10854; S-Methyl methanethiosulfonate, analytical standard; J-017549; Q27144634; S-Methyl methanethiosulfonate, purum, >=98.0% (GC); Methyl methanethiolsulfonate;S-Methyl methanethiolsulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21545	.	.	.	.	126.2	C2H6O2S2	67.8	106	0	6	0	3	1	"InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3"	CSS(=O)(=O)C	XYONNSVDNIRXKZ-UHFFFAOYSA-N
DG50319	"2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-IODO-, p-NITROBENZOATE"	18074	"UNII-I0MHR2XFA0; I0MHR2XFA0; 2961-87-7; 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-IODO-, p-NITROBENZOATE; NSC 85776; BRN 2001865; NSC85776; 2-Hydroxy-3-iodo-2,4,6-cycloheptatrien-1-one p-nitrobenzoate; CHEMBL1993051; DTXSID10183797; WLN: L7VJ BOVR DNW& CI; ZINC1760624; NSC-85776; 2-Hydroxy-3-iodo-2,6-cycloheptatrien-1-one p-nitrobenzoate; 2-Iodo-7-oxo-1,3,5-cycloheptatrien-1-yl=p-nitrobenzoate; 2,6-Cycloheptatrien-1-one, 2-hydroxy-3-iodo-, p-nitrobenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85776	.	.	.	.	397.12	C14H8INO5	89.2	550	3.2	21	0	5	3	InChI=1S/C14H8INO5/c15-11-3-1-2-4-12(17)13(11)21-14(18)9-5-7-10(8-6-9)16(19)20/h1-8H	C1=CC(=C(C(=O)C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])I	IDYYUTZSVVKPAW-UHFFFAOYSA-N
DG50320	"(17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) N,N-bis(2-chloroethyl)carbamate"	18140	"(17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) N,N-bis(2-chloroethyl)carbamate; LEO 275; RO 21-8837; NSC 89201; MLS002701936; NSC89201; 17.beta.-Estradiol 3-(bis(2-chloroethyl)carbamate); CHEMBL290686; SCHEMBL14031683; SMR001565519; FT-0603624; Estradiol {3-[bis(2-chloroethyl)carbamate]}; Estradiol, {3-[bis(2-chloroethyl)carbamate]}; 17.Beta.-Estradiol {3-[bis(2-chloroethyl)carbamate]}; 17-Hydroxyestra-1,3,5(10)-trien-3-yl bis(2-chloroethyl)carbamate; 17-Hydroxyestra-1,3,5(10)-trien-3-yl bis(2-chloroethyl)carbamate, (17.beta.)-; Carbamic acid, bis(2-chloroethyl)-, 17.beta.-hydroxyestra-1,3,5(10)-trien-3-yl ester; Estra-1,3,5(10)-triene-3, 17-diol, {3-[bis(2-chloroethyl)carbamate],} (17.beta.)-; Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, {3-[bis(2-chloroethyl)carbamate]}; Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, 3-[bis(2-chloroethyl)carbamate]; Estra-1,3,5(10)-triene-3,17-diol, 3-(bis(2-chloroethyl)carbamate), (17.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89201	.	.	.	.	440.4	C23H31Cl2NO3	49.8	585	4	29	1	3	6	"InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3"	CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl	FRPJXPJMRWBBIH-UHFFFAOYSA-N
DG50321	"N,N'-1,3-Phenylenedimaleimide"	18156	"3006-93-7; N,N'-1,3-Phenylenedimaleimide; N,N'-m-Phenylenedimaleimide; m-Dimaleimidobenzene; m-Phenylenedimaleimide; m-Phenylenebismaleimide; 1,3-Dimaleimidobenzene; HVA 2; N,N'-1,3-Phenylene bismaleimide; 1,3-Bismaleimidobenzene; M-Phdm; 1,3-Phenylenebismaleimide; 1H-Pyrrole-2,5-dione, 1,1'-(1,3-phenylene)bis-; N,N'-m-Phenylenemaleimide; HVA-2 curing agent; N,N-1,3-Phenylenedimaleimide; N,N'-(m-Phenylene)bismaleimide; UNII-MD8KF155CT; NSC 19639; 1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione; N,N'-(1,3-Phenylene)dimaleimide; phenyl-1,3-bismaleimide; 1H-Pyrrole-2,5-dione, 1,1'-(phenylene)bis-; MD8KF155CT; MALEIMIDE, N,N'-(m-PHENYLENE)DI-; N,N'-m-phenylene bismaleimide; CHEMBL573689; 1,1'-(1,3-Phenylene)bis(1H-pyrrole-2,5-dione); 1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl]-2,5-dihydro-1H-pyrrole-2,5-dione; 1,1'-(Benzene-1,3-diyl)bis(1H-pyrrole-2,5-dione); N,N-1,3-Phenylene bismaleimide; 1H-Pyrrole-2,5-dione, 1,1'-(1,3-phenylene)bis-, homopolymer; 37453-16-0; N,N'-(m-Phenylenedimaleimide); 1,1'-(1,3-Phenylene)bis-1H-pyrrole-2,5-dione; EINECS 221-112-8; N.N-m-phenylene dimaleimide; BRN 0249503; Maleimide, N,N'-m-phenylenedi-; N,N''-1,3-Phenylenedimaleimide; 1,1'-(m-Phenylene)bis-1H-pyrrole-2,5-dione; Vanax MBM; m-Phenylenedi(maleimide); N,3-Phenylenedimaleimide; m-Phenylenebis(maleimide); N,N'-m-Phenyledimaleimide; DSSTox_CID_24415; DSSTox_GSID_44415; Maleimide,N'-m-phenylenedi-; SCHEMBL94730; NN'-13-Phenylenedimaleimide; N,N'-Meta-phenylenedimaleimide; N,N'-1,3-Bismaleimidobenzene; DTXSID3044415; N,N'-1,3-Phenylenebismaleimide; ZINC96890; BCP25887; N,N\\'-1,3-Phenylene bismaleimide; NSC19639; Tox21_303753; WLN: T5VNVJ BR C- BT5VNVJ; BDBM50300347; GEO-03119; GP-204; MFCD00022569; NSC-19639; STK386206; AKOS004115393; MCULE-9844464662; PS-5627; N,N'-(1,3-Phenylene)bis(maleinimide); NCGC00356976-01; CAS-3006-93-7; N,N'-(1,3-Phenylene)dimaleimide, 97%; DB-068208; CS-0156891; FT-0629595; P0976; 1H-Pyrrole-2, 1,1'-(1,3-phenylene)bis-; A820173; A936937; 1,1'-benzene-1,3-diylbis(1H-pyrrole-2,5-dione); Q-201424; 1,1'-(Benzene-1,3-diyl)bis(1H-pyrrole-2,5-dione; 1,1'-(m-Phenylene)bis-1H-pyrrole-2,5-dione (9CI); Q27283915; 1-[3-(2,5-dioxo-1-pyrrolyl)phenyl]pyrrole-2,5-dione; 3-PIPERIDINECARBOXYLICACID,5-METHYL-2-OXO-,ETHYLESTER; 1-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]pyrrole-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19639	.	.	.	.	268.22	C14H8N2O4	74.8	480	0.2	20	0	4	2	InChI=1S/C14H8N2O4/c17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20/h1-8H	C1=CC(=CC(=C1)N2C(=O)C=CC2=O)N3C(=O)C=CC3=O	IPJGAEWUPXWFPL-UHFFFAOYSA-N
DG50322	Colchiceinamid	18397	"Colchiceinamid; Colchicine amide; Colchicamide; Colchiceinamide; Colchicamid; 3123-89-5; Colchicide, 14-amino-; SKF 3192; COLCHICINE, 10-AMINO-10-DEMETHOXY-; N-[(7S)-10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide; Colchicenamide; 14-Aminocolchicide; Colchicamide (VAN); Colchiceeinamide; Colchiceeinamide [German]; Acetamide,N-[(7S)-10-amino-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl]-; NSC 403144; BRN 2824077; Colchiceinamide (8CI); 4-14-00-00921 (Beilstein Handbook Reference); Acetamide, N-(10-amino-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-; Colchicamide (colchiceinamide); CHEMBL357889; SCHEMBL12118701; DTXSID00185149; ZINC4025798; MFCD25368469; NSC403144; STL530408; AKOS030489333; MCULE-8842975256; NSC-403144; Acetamide,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-; Acetamide, N-(10-amino-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)- (9CI); N-[(7S)-10-amino-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403144	.	.	.	.	384.4	C21H24N2O5	99.9	726	0.3	28	2	6	4	"InChI=1S/C21H24N2O5/c1-11(24)23-16-8-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-7-15(22)17(25)10-14(13)16/h6-7,9-10,16H,5,8H2,1-4H3,(H2,22,25)(H,23,24)/t16-/m0/s1"	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N)OC)OC)OC	JWDFWIZNGSOUGC-INIZCTEOSA-N
DG50323	Methyl streptonigrin	18834	"Methyl streptonigrin; STREPTONIGRIN METHYL ESTER; 3398-48-9; MLS000766273; NSC45384; NSC-45384; UNII-H00548KV4H; SMR000528866; H00548KV4H; 2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, methyl ester; Methyl ester streptonigrin; MES (VAN); methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpicolinate; NSC 45384; BRN 5324543; AI3-52460; STN-OCH3; Picolinic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, methyl ester; CHEMBL2002947; BDBM71262; cid_5359866; DTXSID70955558; HMS2852I08; STREPTONIGRIN, METHYL ESTER; ZINC100365751; NCGC00246815-01; methyl (4Z)-5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylate; NCI60_004052; SR-01000775933; SR-01000775933-2; Q27279382; WLN: T66 BV EV GNJ CO1 DZ H- BT6NJ CZ DR BQ CO1 DO1& E1 FVO1; (4Z)-5-amino-6-(7-amino-5,8-diketo-6-methoxy-2-quinolyl)-4-(6-keto-4,5-dimethoxy-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylic acid methyl ester; (4Z)-5-amino-6-(7-amino-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(4,5-dimethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-3-methyl-1H-pyridine-2-carboxylic acid methyl ester; (aR)-3-Methyl-4-(2-hydroxy-3,4-dimethoxyphenyl)-5-amino-6-(5,8-dioxo-6-methoxy-7-amino-5,8-dihydroquinoline-2-yl)pyridine-2-carboxylic acid methyl ester; (aS)-3-Methyl-4-(2-hydroxy-3,4-dimethoxyphenyl)-5-amino-6-(5,8-dioxo-6-methoxy-7-amino-5,8-dihydroquinoline-2-yl)pyridine-2-carboxylic acid methyl ester; 2-Pyridinecarboxylic acid,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, methyl ester; methyl (4Z)-5-azanyl-6-[7-azanyl-6-methoxy-5,8-bis(oxidanylidene)quinolin-2-yl]-4-(4,5-dimethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylate; methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxy-phenyl)-3-methyl-pyridine-2-carboxylate; Methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylate; methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylate; Picolinic acid,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, methyl ester; Picolinic acid,8-dihydro-7-methoxy-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, methyl ester; Picolinic acid,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45384	.	.	.	.	520.5	C26H24N4O8	186	960	2.1	38	3	12	7	"InChI=1S/C26H24N4O8/c1-10-15(11-7-9-14(35-2)24(36-3)21(11)31)16(27)20(30-18(10)26(34)38-5)13-8-6-12-19(29-13)23(33)17(28)25(37-4)22(12)32/h6-9,31H,27-28H2,1-5H3"	CC1=C(C(=C(N=C1C(=O)OC)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O	HKZHTIOXLTVSKR-UHFFFAOYSA-N
DG50324	Improsulfan	18949	"IMPROSULFAN; 13425-98-4; UNII-32Y1F7N1ZD; Yoshi 864; IPD hydrochloride; 3-(3-methylsulfonyloxypropylamino)propyl methanesulfonate; 3,3'-Iminobis(1-propanol) dimethanesulfonate; Compound 864; 32Y1F7N1ZD; improsan; NCI-C01547; Bis(3-mesyloxypropyl)amine hydrochloride; Improsulfan [INN]; Improsulfano; Improsulfanum; 1-Propanol-3,3'-iminodidimethanesulfonatehydrochloride; Improsulfanum [INN-Latin]; Improsulfano [INN-Spanish]; 1-Propanol, 3,3'-, dimethanesulfonate (ester), hydrochloride; 1-Propanol, 3,3'-iminobis-, dimethanesulfonate (ester), hydrochloride; 1-Propanol, 3,3'-iminodi-, dimethanesulfonate (ester), hydrochloride; 3,3'-Imidodi-1-propanol, dimethanesulfonate (ester), hydrochloride; NSC102627; 3458-22-8; BRN 1981708; 3,3-Iminobis-1-propanol dimethanesulfonate (ester); 3,3'-Iminobis-1-propanol dimethanesulfonate; 864 (*Hydrochloride*); SCHEMBL8954; bis(3-mesyloxypropyl)-amine; CHEMBL96292; 3,3'-Iminodi-1-propanol dimethanesulfonate (ester); 1-Propanol, 3,3'-iminodi-, dimethanesulfonate (ester); DTXSID6043832; CHEBI:135202; Compound 864 (*hydrochloride*); ZINC1674783; NCI60_000072; 3, 3'-Dimesyloxydipropylamine hydrochloride; 3,3'-Imidodi-1-propanol, dimethanesulfonate (ester)-; Q27256199; 1-Propanol, 3,3-iminobis-, dimethanesulfonate (ester) (9CI); 3, 3'-Iminodi-1-propanol di(methanesulfonate) hydrochloride; 3, 3'-Iminodi-1-propanol dimethanesulfonate ester hydrochloride; 3-((3-((Methylsulfonyl)oxy)propyl)amino)propyl methanesulfonate; 3-N-BOC-AMINO-3-(3-CBZ)PIPERIDINE-PROPIONICACIDETHYLESTER"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102627	.	.	.	.	289.4	C8H19NO6S2	116	339	-0.6	17	1	7	10	"InChI=1S/C8H19NO6S2/c1-16(10,11)14-7-3-5-9-6-4-8-15-17(2,12)13/h9H,3-8H2,1-2H3"	CS(=O)(=O)OCCCNCCCOS(=O)(=O)C	DBIGHPPNXATHOF-UHFFFAOYSA-N
DG50325	Pigment orange 5	18981	"Pigment orange 5; 3468-63-1; Permanent Orange; C.I. Pigment Orange 5; Dinitroaniline Orange; Permansa Orange; Permatone Orange; Light Orange R; Hansa Orange RN; Orange Pigment X; Silopol Orange R; Carnelio Red 2G; Dinitroaniline Red; Irgalite Red 2G; Permanent Red GG; Fastona Red 2G; Oralith Red 2GL; Siegle Orange 2S; Silosol Orange RN; Siloton Orange RL; Chromatex Orange R; Graphtol Red 2GL; Irgalite Red 2GW; Irgalite Red PV8; Versal Orange RNL; Dinitraniline Orange; Pigment Fast Orange; Lake Red 2GL; Permanent Orange GG; Permanent Orange HD; Isol Fast Red 2G; Calcotone Orange 2R; Syton Fast Red 2G; D and C Orange No. 17; Helio Fast Orange RN; Helio Fast Orange RT; Signal Orange Y-17; D&C Orange 17; Lutetia Fast Orange R; Tertropigment Red P2G; Monolite Fast Red 2G; Orange No. 203; Helio Fast Orange 3RN; Helio Fast Orange 3RT; Irgalite Fast Red 2GL; Nippon Orange X-881; 11048 Orange; Segnale Light Orange RN; Tertropigment Orange LRN; Monolite Fast Orange 2R; Segnale Light Orange RNG; Dainichi Permanent Red GG; Permanent Orange DN Toner; Brilliant tangerine 13030; C.I. 12075; Dinitroaniline Orange ND-204; Monolite Fast Paper Orange 2R; Permaton Orange XL 45-3015; Permanent Orange Toner RA-5650; 1-[(2,4-Dinitrophenyl)azo]-2-naphthol; UNII-E27LT0986O; 1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol; 1-((2,4-Dinitrophenyl)azo)-2-naphthol; E27LT0986O; 1-(2,4-Dinitrophenylazo)-2-naphthol; 1-((2,4-Dinitrophenyl)azo)-2-naphthalenol; 2-Naphthalenol, 1-((2,4-dinitrophenyl)azo)-; 2-Naphthalenol, 1-[(2,4-dinitrophenyl)azo]-; Signal Orange Orange Y-17; D&C Orange No. 17; D & C Orange No. 17; CCRIS 4902; C.I Pigment Orange 5; 1-[(2,4-DINITROPHENYL)AZO]-2-NAPHTHALENOL; EINECS 222-429-4; NSC 15975; 2-Naphthalenol, 1-(2-(2,4-dinitrophenyl)diazenyl)-; 2-Naphthalenol, 1-[2-(2,4-dinitrophenyl)diazenyl]-; BRN 0964718; AI3-30759; HSDB 7721; Permanent orange 5; 2-NAPHTHOL, 1-((2,4-DINITROPHENYL)AZO)-; CI 12075; D+C Orange No. 17; EC 222-429-4; pigment orange 5, AldrichCPR; SCHEMBL305524; SCHEMBL375610; 1-[(E)-(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol; CHEMBL1982121; DTXSID6029258; SCHEMBL13474931; 2-Naphthol,4-dinitrophenyl)azo]-; NSC15975; MFCD00059524; NSC-15975; ZINC17147410; 2-Naphthalenol,4-dinitrophenyl)azo]-; Pigment Orange 5, analytical standard; ZINC101154953; ZINC113691947; NCI60_001177; C.I.12075; P0587; D91975; 1-[(E)-(2,4-dinitrophenyl)diazenyl]-2-naphthol; 468P631; W-109901; (E)-1-((2,4-dinitrophenyl)diazenyl)naphthalen-2-ol; Q27276766; 1-[2-(2,4-Dinitrophenyl)hydrazono]naphthalene-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15975	.	.	.	.	338.27	C16H10N4O5	137	532	4.3	25	1	7	2	"InChI=1S/C16H10N4O5/c21-15-8-5-10-3-1-2-4-12(10)16(15)18-17-13-7-6-11(19(22)23)9-14(13)20(24)25/h1-9,21H"	C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])O	HBHZKFOUIUMKHV-UHFFFAOYSA-N
DG50326	5-Nitroso-8-hydroxyquinoline	19103	"5-Nitroso-8-hydroxyquinoline; 5-Nitrosoquinolin-8-ol; 3565-26-2; 5-Nitroso-8-quinolinol; 8-QUINOLINOL, 5-NITROSO-; NSC 3852; Hydron III; 5-Nitroso-8-cinnolinol; 5-Nitrosooxine; 8-Hydroxy-5-nitrosoquinoline; NSC3852; RMH-79; NSC-3852; UNII-P302KW5VDN; P302KW5VDN; MLS000775787; SMR000369353; EINECS 222-650-6; BRN 0135353; 5-Nitroso-oxine; NCIMech_000145; 5-21-11-00262 (Beilstein Handbook Reference); cid_19103; SCHEMBL105461; WLN: T66 BNJ GNO JQ; 5-(hydroxyimino)quinolin-8-one; CHEMBL1479316; DTXSID5063079; BDBM68169; HMS2768N15; HMS3269O05; HMS3414P13; HMS3678P11; (5Z)-5,8-quinolinedione 5-oxime; ALBB-023716; ZINC4272040; 8156AF; CCG-35355; MFCD00041862; STL582177; (5Z)-5-hydroxyimino-quinolin-8-one; 5-(Hydroxyimino)quinolin-8(5H)-one; AKOS001053136; MCULE-4348597510; SB67467; NCGC00161886-01; NCGC00161886-02; NCI60_003678; FT-0750936; N0270; EC-000.2461; D94646"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3852	.	.	.	.	174.16	C9H6N2O2	62.6	198	1.6	13	1	4	0	"InChI=1S/C9H6N2O2/c12-8-4-3-7(11-13)6-2-1-5-10-9(6)8/h1-5,12H"	C1=CC2=C(C=CC(=C2N=C1)O)N=O	RZWRYPGAUIOOMK-UHFFFAOYSA-N
DG50327	"Disulfide, bis(2-amino-4-sulfamoylphenyl)"	19790	"3905-92-8; NSC83217; Metanilamide, 4,4'-dithiodi-; Metanilamide, 4,4'-dithobis-; DISULFIDE, BIS(2-AMINO-4-SULFAMOYLPHENYL); Bis(2-amino-4-sulfonamidophenyl) disulfide; NSC-83217; 4,4'-Dithiobis(3-aminobenzenesulfonamide); 4,4'-Disulfanediylbis(3-aminobenzenesulfonamide); NSC 83217; BRN 2711131; Metanilamide,4'-dithiodi-; Metanilamide,4'-dithobis-; Metanilamide,4'-dithiobis-; NCIStruc1_001456; NCIStruc2_001601; 4-14-00-02821 (Beilstein Handbook Reference); CHEMBL120806; DTXSID70192300; NCI83217; ZINC3954156; WLN: ZSWOR CZ DSSR BZ DOSZW; CCG-37196; NCGC00013869; Metanilamide, 4,4'-dithiobis- (8CI); NCGC00013869-02; NCGC00096979-01; Benzenesulfonamide,4'-dithiobis[3-amino-; NCI60_041826; Benzenesulfonamide, 4,4'-dithiobis(3-amino- (9CI); 3-amino-4-[(2-amino-4-sulfamoyl-phenyl)disulfanyl]benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83217	.	.	.	.	406.5	C12H14N4O4S4	240	574	-0.2	24	4	10	5	"InChI=1S/C12H14N4O4S4/c13-9-5-7(23(15,17)18)1-3-11(9)21-22-12-4-2-8(6-10(12)14)24(16,19)20/h1-6H,13-14H2,(H2,15,17,18)(H2,16,19,20)"	C1=CC(=C(C=C1S(=O)(=O)N)N)SSC2=C(C=C(C=C2)S(=O)(=O)N)N	CVACEDCBGCMVKB-UHFFFAOYSA-N
DG50328	"2-Amino-1,3,4-thiadiazole"	19909	"2-Amino-1,3,4-thiadiazole; 4005-51-0; 1,3,4-Thiadiazol-2-amine; Aminothiadiazole; ATDA; NSC 4728; FDA 0084; TF 128; [1,3,4]Thiadiazol-2-ylamine; X 26; NSC-4728; UNII-6L41AOK74P; 1,3,4-THIADIAZOLE, 2-AMINO-; NSC4728; 1,3,4-thiadiazol-2-ylamine; 1,3,4-Thiadiazole-2-Amine; 6L41AOK74P; 2-Amino-1-thia-3,4-diazole; CHEMBL1650237; EINECS 223-657-7; BRN 0107135; AI3-50581; 1,4-Thiadiazol-2-amine; 2-Amino-1,4-thiadiazole; NCIMech_000679; amino-[1,3,4]thiadiazole; 1,4-Thiadiazole, 2-amino; SCHEMBL26211; 1,3,4-thiadiazol-5-amine; 2-amino-1,3,4-thiadiazol; 1,4-Thiadiazole, 2-amino-; 1,3,4-thiadiazolium-2-aminide; QUKGLNCXGVWCJX-UHFFFAOYSA-; 3H-1,3,4-thiadiazol-2-imine; AMY3973; DTXSID50193113; [1,3,4]-Thiadiazol-2-ylamine; ACT02913; BDBM50335110; CCG-35854; MFCD00003107; STK398099; ZINC17744119; 2-Amino-1,3,4-thiadiazole, 97%; AKOS000100062; CS-W019584; MCULE-5171141908; NF-0014; AC-25689; BP-10045; NCI60_004114; DB-020362; BB 0217149; FT-0611004; EN300-17228; 05A510; D77857; A824876; J-640145; J-800149; W-106393; Q27265082; F1791-0951; 6-methyl-2-[4-(2,4,6-trioxohexahydropyrimidin-5-yl)azophenyl]-1,3-benzothiazole-7-sulfonic acid;1,3,4-Thiadiazol-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4728	.	.	.	.	101.13	C2H3N3S	80	48.1	-0.6	6	1	4	0	"InChI=1S/C2H3N3S/c3-2-5-4-1-6-2/h1H,(H2,3,5)"	C1=NN=C(S1)N	QUKGLNCXGVWCJX-UHFFFAOYSA-N
DG50329	Nitroxoline	19910	"NITROXOLINE; 5-nitroquinolin-8-ol; 4008-48-4; 8-Hydroxy-5-nitroquinoline; 5-Nitro-8-hydroxyquinoline; 5-Nitro-8-quinolinol; Nitroxolin; 5-Nitrox; Noxibiol; Nibiol; Noxin; 8-Quinolinol, 5-nitro-; 5-Nitroxine; 5-Nitroks; 5-NOK; 5-Nitro-8-oxyquinoline; 5NOK; Nitroxolinum; 5-Nitro-8-oxychinoline; Nitroxolina; Nitroxolinum [INN-Latin]; Nitroxolina [INN-Spanish]; A-82; BAS 58; NSC 74947; MLS000069750; UNII-A8M33244M6; SMR000059036; Galinok; CHEBI:67121; Isinok; Nicene Forte; MFCD00006791; NSC-74947; A8M33244M6; NCGC00160664-01; Uro-Coli; DSSTox_CID_26284; DSSTox_RID_81510; DSSTox_GSID_46284; Notroxoline; CAS-4008-48-4; Nitroxoline [INN:BAN:DCF]; EINECS 223-662-4; BRN 0166146; Nitroxlina; Nitroxoline (TN); HNQ; Nitrohydroxyquinoline; Nitroxoline (INN); 3ai8; 5-Nitroquinoline-8-ol; Opera_ID_204; 5-Nitro-quinolin-8-ol; 5-Nitro-8hydroxyquinoline; Quinolin-8-ol, 5-nitro-; Oprea1_594857; 8-Hydroxy-5-nitro-chinoline; 5-21-03-00297 (Beilstein Handbook Reference); cid_19910; MLS001148594; SCHEMBL151248; REGID_for_CID_19910; 5-Nitroquinolin-8-ol, 96%; WLN: T66 BNJ GNW JQ; CHEMBL1454910; DTXSID4046284; BDBM64987; HMS2230I14; HMS3264C05; HMS3374D08; KUC105356N; Pharmakon1600-01506173; 8-Hydroxy-5-nitroquinoline, 96%; AMY23308; HY-B1159; NSC74947; Tox21_111969; KSC-8-140; NSC760393; s4591; STK099582; ZINC15831592; AKOS001053242; Tox21_111969_1; AC-7828; CCG-213981; CS-4761; DB01422; LS20671; MCULE-8622459990; NSC-760393; PS-5547; NCGC00160664-03; DB-049530; A6696; FT-0621541; H0805; 08N484; D07245; 5-Nitro-8-quinolinol; 5-Nitro-8-hydroxyquinoline; AB00572598_14; AG-205/04556035; Q304570; SR-01000721863; SR-01000721863-4; W-106391; Z56922155"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	74947	.	.	.	.	190.16	C9H6N2O3	78.9	229	2.1	14	1	4	0	"InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H"	C1=CC2=C(C=CC(=C2N=C1)O)[N+](=O)[O-]	RJIWZDNTCBHXAL-UHFFFAOYSA-N
DG50330	"IODONIUM, (p-NITROPHENYL)PHENYL-, BROMIDE"	19993	"NSC86354; IODONIUM, (p-NITROPHENYL)PHENYL-, BROMIDE; (4-Nitrophenyl)phenyliodonium; SCHEMBL426370; (p-Nitrophenyl)phenyliodonium-; SCHEMBL3872162; (4-nitrophenyl)-phenyl-iodonium; CHEMBL2009430; Iodonium, (p-nitrophenyl)phenyl-; Iodonium, (4-nitrophenyl)phenyl-; NCI60_041908; Iodonium, (4-nitrophenyl)phenyl-, bromide; Hydroxy(4-(phenyl-lambda~3~-iodanyl)phenyl)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	86354	.	.	.	.	326.11	C12H9INO2+	45.8	228	4.6	16	0	2	2	InChI=1S/C12H9INO2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9H/q+1	C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)[N+](=O)[O-]	NLHPINMBHCCFBV-UHFFFAOYSA-N
DG50331	"3',5-Dichlorosalicylanilide"	20196	"5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide; 22203-98-1; 3',5-DICHLOROSALICYLANILIDE; UNII-L9HQV0JFNH; L9HQV0JFNH; CHEMBL2088011; Benzamide, 5-chloro-N-(3-chlorophenyl)-2-hydroxy-; NSC50643; 5-CHLORO-N-(3-CHLOROPHENYL)-2-HYDROXY-BENZAMIDE; SCHEMBL11932152; DTXSID80176752; ZINC1682067; BDBM50540442; MFCD11521629; NSC 50643; NSC-50643; AKOS008973124; MCULE-1903738617; N-(3-Chlorophenyl)-2-hydroxy-5-chlorobenzamide; Q27282873; Z68143799"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50643	.	.	.	.	282.12	C13H9Cl2NO2	49.3	301	4.5	18	2	2	2	"InChI=1S/C13H9Cl2NO2/c14-8-2-1-3-10(6-8)16-13(18)11-7-9(15)4-5-12(11)17/h1-7,17H,(H,16,18)"	C1=CC(=CC(=C1)Cl)NC(=O)C2=C(C=CC(=C2)Cl)O	NXDGLRGDIKDWIF-UHFFFAOYSA-N
DG50332	Amitriptylinoxide	20313	"Amitriptylinoxide; Amitriptyline N-oxide; Equilibrin; 4317-14-0; Ambivalon; Amitriptylinoxide [INN]; UNII-TYR2U59WMA; amitriptyline-n-oxide; TYR2U59WMA; 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-N-oxide; 10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)cycloheptene-delta(sup 5,gamma)-propylamine N-oxide; Amitriptylinoxide (INN); Amitriptyline, N-oxide, hydrochloride; NSC176555; Amitriptilinoxido; Amitriptylinoxyde; Amitriptylinoxidum; amitriptyline oxide; Amitriptylinoxidum [INN-Latin]; Amitriptylinoxyde [INN-French]; Amitriptilinoxido [INN-Spanish]; NSC-176555; BRN 2385442; Amitriptylinoxid; CHEMBL627; NCIStruc1_001927; NCIStruc2_001301; 10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)cycloheptene-delta5,gamma-propylamine-N-oxide; 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yliden)-N,N-dimethylpropylamin N-oxid; AMITRYPTYLINE-N-OXIDE; SCHEMBL54518; DTXSID50195758; CHEBI:135224; BDBM112778; ZINC1481969; CCG-37141; NCGC00014514; NCI176555; DB13114; J9.621K; NCGC00014514-02; NCGC00097618-01; 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N,N-dimethyl-N-oxide; N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine oxide; NCI60_001463; US8629135, SW-03; D07449; Q472476; (3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl)(hydroxy)dimethyl-5-azane; 3-(5,6-dihydrodibenzo[[ ],[ ]][7]annulen-11-ylidene)-N,N-dimethyl-propan-1-amine oxide; (3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl)(hydroxy)dimethyl-.lambda.~5~-azane; 10,11-Dihydro-N,N-dimethyl-5H-dibenzo[a,d]cycloheptene-.DELTA.5,.gamma.-propylamine N-oxide; 3-(10,11-Dihydro-5H-dibenzo-[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine N-oxide; 5H-Dibenzo(a,d)cycloheptene-.delta.5,.gamma.-propylamine, 10,11-dihydro-N,N-dimethyl-N-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176555	.	.	.	.	293.4	C20H23NO	18.1	375	4.5	22	0	1	3	"InChI=1S/C20H23NO/c1-21(2,22)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3"	C[N+](C)(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)[O-]	ZPMKQFOGINQDAM-UHFFFAOYSA-N
DG50333	N-Methyliminodiacetic acid	20441	"N-METHYLIMINODIACETIC ACID; 4408-64-4; 2,2'-(methylazanediyl)diacetic acid; Methyliminodiacetic acid; MIDA; Methylimidodiacetic acid; N-Methyliminodiaceticacid; Glycine, N-(carboxymethyl)-N-methyl-; 2-[carboxymethyl(methyl)amino]acetic acid; (Methylimino)diacetic acid; Acetic acid, (methylimino)di-; NSC11773; UNII-SH1YP5H4NA; MFCD00004284; SH1YP5H4NA; [(Carboxymethyl)(methyl)amino]acetic acid; NSC-11773; MIDA ligand; EINECS 224-557-6; N-Methylmnodacetcacd; NSC 11773; 2-methyliminodiacetic acid; NCIStruc1_001758; NCIStruc2_000172; SCHEMBL22061; Methyliminodiacetic acid, 99%; CHEMBL1741474; DTXSID00196033; AMY25152; BCP21664; NCI11773; ZINC1718572; CCG-37638; NCGC00013126; AKOS001187242; Acetic acid, (methylimino)di- (8CI); CS-W007872; MCULE-6535937676; (Carboxymethyl-methyl-amino)-acetic acid; NCGC00013126-02; NCGC00096247-01; AS-11328; NCI60_000423; SY011911; DB-001063; FT-0628893; M2090; Glycine, N-(carboxymethyl)-N-methyl- (9CI); 2-[carboxymethyl(methyl)amino]essigs ure; J-523682; 2,2'-(methylazanediyl)diacetic acid;Methyliminodiacetic acid; QuadraPure(R) IDA, macroporous, 350-750 mum particle size; 2-[carboxylatomethyl(methyl)ammonio]acetate;2,2'-(METHYLAZANEDIYL)DIACETIC ACID"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11773	.	.	.	.	147.13	C5H9NO4	77.8	129	-3.3	10	2	5	4	"InChI=1S/C5H9NO4/c1-6(2-4(7)8)3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10)"	CN(CC(=O)O)CC(=O)O	XWSGEVNYFYKXCP-UHFFFAOYSA-N
DG50334	"1,4-Butanedione, 1,4-diphenyl-2,3-epoxy-"	20502	"2,3-Dibenzoyloxirane; 4440-98-6; MLS002608182; NSC 39792; 1,4-Diphenyl-2,3-epoxy-1,4-butanedione; AI3-51314; NSC39792; 1,4-BUTANEDIONE, 1,4-DIPHENYL-2,3-EPOXY-; 1,3-epoxy-1,4-butanedione; WLN: T3OTJ BVR& CVR; CHEMBL1718221; SCHEMBL10942440; DTXSID30963215; 1, 1,4-diphenyl-2,3-epoxy-; HMS3078H14; Methanone,3-oxiranediylbis[phenyl-; NSC-39792; NSC220062; NSC-220062; (Oxirane-2,3-diyl)bis(phenylmethanone); SMR001526933; Methanone, 2,3-oxiranediylbis(phenyl- (9CI); 82389-32-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39792	.	.	.	.	252.26	C16H12O3	46.7	317	2.7	19	0	3	4	"InChI=1S/C16H12O3/c17-13(11-7-3-1-4-8-11)15-16(19-15)14(18)12-9-5-2-6-10-12/h1-10,15-16H"	C1=CC=C(C=C1)C(=O)C2C(O2)C(=O)C3=CC=CC=C3	ADFLDJCSCJHDEY-UHFFFAOYSA-N
DG50335	Nile Blue 2B	20520	"Nile Blue 2B; Nile Blue BB; C.I. 51185; 4451-88-1; Nilblau [German]; NSC 9612; 5-(Benzylamino)-9-(diethylamino)benzo(a)phenazoxonium chloride; BENZO(a)PHENAZOXONIUM, 5-(BENZYLAMINO)-9-(DIETHYLAMINO)-, CHLORIDE; SCHEMBL10844076; DTXSID30963235; NSC9612; NSC-9612; 9-diethylamino-5-(N-benzylamino)benzophenoxazin-7-ium chloride; 5-(Benzylamino)-9-(diethylamino)benzo[a]phenoxazin-7-ium chloride; Benzo(a)phenoxazin-7-ium, 9-(diethylamino)-5-((phenylmethyl)amino)-, chloride (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9612	.	.	.	.	444	C27H26ClN3O	36.6	767	.	32	1	4	5	"InChI=1S/C27H25N3O.ClH/c1-3-30(4-2)20-14-15-23-25(16-20)31-26-17-24(28-18-19-10-6-5-7-11-19)21-12-8-9-13-22(21)27(26)29-23;/h5-17H,3-4,18H2,1-2H3;1H"	CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)NCC5=CC=CC=C5)OC2=C1)CC.[Cl-]	FAJDWNKDRFAWLS-UHFFFAOYSA-N
DG50336	2-(1H-Purin-6-ylamino)ethanol	20684	"4551-95-5; 2-(1H-Purin-6-ylamino)ethanol; 2-(7H-purin-6-ylamino)ethanol; 2-(9H-Purin-6-ylamino)ethanol; N6-(2-HYDROXYETHYL)ADENINE; UNII-9AD2B660I3; NSC11590; 9AD2B660I3; 2-((9H-Purin-6-yl)amino)ethanol; NSC-11590; 6-(BETA-HYDROXYETHYLAMINO)-PURINE; 6-[(2-hydroxyethyl)amino]purine; EINECS 224-920-9; NCI60_000361; NCIStruc1_000083; NCIStruc2_000256; N6-(2-Hydroxy)Ethyladenine; Oprea1_506538; 6-(2-hydroxyethylamino)purine; CHEMBL454802; IFLab1_002275; SCHEMBL7668696; 6-.beta.-Hydroxyethylaminopurine; DTXSID10196544; HMS1418H09; NCI11590; ZINC1718417; 2-(9H-Purin-6-ylamino)ethanol #; CCG-37573; NCGC00013122; NSC 11590; STK944590; Ethanol, 2-(1H-purin-6-ylamino)-; AKOS001443458; AKOS008968422; MCULE-6037654535; 2-((3h-Purin-6-yl)amino)ethan-1-ol; NCGC00013122-02; NCGC00096243-01; CS-0266559; SR-01000641593-1; Q27272272"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11590	.	.	.	.	179.18	C7H9N5O	86.7	167	-0.1	13	3	5	3	"InChI=1S/C7H9N5O/c13-2-1-8-6-5-7(10-3-9-5)12-4-11-6/h3-4,13H,1-2H2,(H2,8,9,10,11,12)"	C1=NC2=C(N1)C(=NC=N2)NCCO	QFSMBOBIZVSDLV-UHFFFAOYSA-N
DG50337	Trichodermin	20806	"Trichoderonin; Trichodermin; 4682-50-2; UNII-WF22557W91; WG 696; WF22557W91; 12,13-Epoxytrichothec-9-en-4-ol acetate; [(1S,2R,7R,9R,11R,12S)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate; ND 8; NSC 73846; Trichothec-9-en-4-ol, 12,13-epoxy-, acetate; NSC 267033; NSC73846; NSC267033; CHEMBL4463552; Trichothec-9-en-4-ol, 12,13-epoxy-, acetate, (4beta)-; DTXSID701017605; Trichothec-9-en-4-ol, 12,13-epoxy-, acetate, (4.beta.)-; ZINC4214539; 4beta-aceoxy-12,13-epoxytrichothec-9-ene; Q256431; [(2S)-trimethylspiro[[ ]-2,2'-oxirane]yl] acetate; Trichothec-9-en-4beta-ol, 12,13-epoxy-, acetate (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	267033	.	.	.	.	292.4	C17H24O4	48.1	541	1.8	21	0	4	2	"InChI=1S/C17H24O4/c1-10-5-6-15(3)12(7-10)21-14-8-13(20-11(2)18)16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3/t12-,13-,14-,15+,16-,17+/m1/s1"	CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)OC(=O)C)C)C	HNEGCRMUYSKRRR-IKIFYQGPSA-N
DG50338	Nifurquinazol	21139	"NIFURQUINAZOL; Nifurquinazole; 5055-20-9; NF 1088; NF-1088; UNII-44E5RRL600; 4-Bis(2-hydroxyethyl)amino-2-(5-nitro-2-furyl)quinazoline; Quinazoline, 4-bis(2-hydroxyethyl)amino-2-(5-nitro-2-furyl)-; 44E5RRL600; NSC220589; NSC-220589; 2,2'-((2-(5-Nitro-2-furyl)-4-quinazolinyl)imino)diethanol; 2-[2-hydroxyethyl-[2-(5-nitrofuran-2-yl)quinazolin-4-yl]amino]ethanol; Nifurquinazolum; Nifurchinazolo; Nifurchinazolo [DCIT]; Nifurquinazol [USAN:INN]; Nifurquinazolum [INN-Latin]; NSC 22058; NSC 220589; BRN 1092044; 2,2'-[[2-(5-Nitro-2-furyl)-4-quinazolinyl]imino]diethanol; N-(2-(5-Nitro-2-furyl)-4-chinazolinyl)-2,2-iminodiethanol; Nifurquinazol (USAN/INN); SCHEMBL193816; ZINC1810; CHEMBL2107101; DTXSID50198582; Ethanol, 2,2'-((2-(5-nitro-2-furanyl)-4-quinazolinyl)imino)bis-; ZINC00001810; D05164; 1-O-T-BUTYLDIMETHYLSILYL2-AZIDO-2-DEOX&; WLN: T66 BN DNJ EN2Q2Q C- BT5OJ ENW; Q15409366; Ethanol,2'-[[2-(5-nitro-2-furyl)-4-quinazolinyl]imino]di-; Ethanol,2'-[[2-(5-nitro-2-furanyl)-4-quinazolinyl]imino]bis-; 2-[2-hydroxyethyl-[2-(5-nitro-2-furyl)quinazolin-4-yl]amino]ethanol; Ethanol, 2,2'-((2-(5-nitro-2-furyl)-4-quinazolinyl)imino)di- (7CI); Ethanol, 2,2'-[[2- (5-nitro-2-furanyl)-4-quinazolinyl]imino]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	220589	.	.	.	.	344.32	C16H16N4O5	128	443	1.6	25	2	8	6	"InChI=1S/C16H16N4O5/c21-9-7-19(8-10-22)16-11-3-1-2-4-12(11)17-15(18-16)13-5-6-14(25-13)20(23)24/h1-6,21-22H,7-10H2"	C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(O3)[N+](=O)[O-])N(CCO)CCO	AUEOHSUMWXAPBX-UHFFFAOYSA-N
DG50339	Buthionine sulfoximine	21157	"5072-26-4; BUTHIONINE SULFOXIMINE; Buthionine sulphoximine; DL-Buthionine-[S,R]-sulfoximine; Butionine sulfoximine; 2-Amino-4-(butylsulfonimidoyl)butanoic acid; Buthionine sulfoxamine; DL-Buthionine-(S,R)-sulfoximine; DL-Buthionine-sulfoximine; Buthionine-S,R-sulfoximine; 2-Amino-4-(S-butylsulfonimidoyl)butanoic acid; D,L-Buthionine-(S,R)-sulfoximine; Butanoic acid, 2-amino-4-(S-butylsulfonimidoyl)-; NSC 381100; 2-azaniumyl-4-(butylsulfonimidoyl)butanoate; CHEBI:28714; DL-butathionine-(S,R)-sulfoximine; MFCD00070309; NSC326231; NSC381100; S-butyl-DL-homocysteine (S,R)-sulfoximine; S-Butyl-DL-homocysteine-[S,R]-sulfoximine; 2-amino-4-(S-butylsulfonimidoyl)butyric acid; NSC 326231; BRN 2367136; Buthione sulfoximine; dl-buthionine (s,r)-sulfoximine; 71765-30-5; BSO; DL-Buthionine-S,R-sulfoximine; l-buthionine (s,r)-sulfoximine; NSC-381100; Sulfoximine, S-(3-amino-3-carboxypropyl)-S-butyl-; Lopac0_000231; SCHEMBL62033; BSPBio_002464; SPECTRUM1505108; dl-Buthionine(S,R)-sulfoximine; CHEMBL1256575; CHEMBL1627290; DTXSID6044434; CHEBI:176510; HMS3260P03; BCP24029; BCP27775; Tox21_500231; s2433; STL328818; AKOS022106364; CCG-204326; DB12870; LP00231; MCULE-8178742509; SDCCGSBI-0050219.P003; NCGC00015148-03; NCGC00015148-04; NCGC00015148-05; NCGC00015148-06; NCGC00015148-07; NCGC00015148-13; NCGC00093696-01; NCGC00093696-02; NCGC00093696-03; NCGC00260916-01; AS-67962; NCI60_002827; HY-106376; CS-0025687; EU-0100231; FT-0624379; FT-0627738; FT-0663956; DL-Buthionine-sulfoximine, >=99.0% (TLC); 2-Amino-4-(butylsulfonimidoyl)butanoic acid #; B 2640; C04543; SR-01000075713; Q5002519; SR-01000075713-1; 2-amino-4-[butyl(imino)oxo-  -sulfanyl]butanoic acid; BRD-A04020513-001-01-9; D,L-Buthionine-(S,R)-sulfoximine (Butionine sulfoximine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	326231	.	.	.	.	222.31	C8H18N2O3S	113	284	-0.6	14	3	5	7	"InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)"	CCCCS(=N)(=O)CCC(C(=O)O)N	KJQFBVYMGADDTQ-UHFFFAOYSA-N
DG50340	Thalicarpine	21470	"THALICARPINE; Thaliblastine; Taliblastine; 5373-42-2; NY-IV-34-1; Taliblastin; UNII-8X1D791RF6; CHEBI:9509; NSC68075; TBL; 8X1D791RF6; NSC-68075; NY IV-34-1; NSC 68075; En 125-214; (6aS)-9-(2-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-4,5-dimethoxyphenoxy)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline; (6aS)-9-(2-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-4,5-dimethoxyphenoxy)-1,2,10-trimethoxyaporphine; (S)-9-(2-(((S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)-4,5-dimethoxyphenoxy)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline; 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-9-(4,5-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-1,2,10-trimethoxy-6-methyl-; 4H-Dibenzo(de,g)quinoline, 9-(4,5-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (S-(R*,R*))-; SCHEMBL674828; CHEMBL507100; NY IV34 1; DTXSID90202011; ZINC4098256; BDBM50480321; MCULE-8602017791; NCI60_028786; C09655; Q27108417; (6aS)-9-[2-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-4,5-dimethoxyphenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline; [2-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-4,5-dimethoxy-phenoxy]-trimethoxy-methyl-[ ]; 4H-Dibenzo(de,g)quinoline, 9-(4,5-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (S-(R*,R*))- (9CI); 4H-Dibenzo[de, 5,6,6a,7-tetrahydro-9-[4,5-dimethoxy-2-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]-1,2,10-trimethoxy-6-methyl-; 4H-Dibenzo[de, 9-[4,5-dimethoxy-2-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, [S-(R*,R*)]-; 4H-Dibenzo[de,g]quinoline, 9-[4,5-dimethoxy-2-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (6aS)-; 6a.alpha.-Aporphine,5-dimethoxy-.alpha.-((S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolyl)-o-tolyl]oxy]-1,2,10-trimethoxy-; 6a.alpha.-Aporphine,5-dimethoxy-.alpha.-(1.beta.,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolyl)-o-tolyl]oxy]-1,2,10-trimethoxy-; 6aalpha-Aporphine, 9-((4,5-dimethoxy-alpha-(1beta,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolyl)-o-tolyl)oxy)-1,2,10-trimethoxy- (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	68075	.	.	.	.	696.8	C41H48N2O8	80.3	1120	6.7	51	0	10	11	"InChI=1S/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3/t29-,30-/m0/s1"	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC	ZCTJIMXXSXQXRI-KYJUHHDHSA-N
DG50341	"2-Amino-1,4-naphthoquinone imine"	21579	"2-Amino-1,4-naphthoquinone imine; 2-amino-4-iminonaphthalen-1-one; 20513-06-8; 2-amino-4-imino-naphthalen-1-one; NSC15013; 5438-85-7; 1(4H)-NAPHTHALENONE, 2-AMINO-4-IMINO-; 2-Amino-4-imino-1(4H)-naphthalenone; BRN 2830840; 1(4H)-Naphthalenone der.; CHEMBL535032; SCHEMBL3273421; ZINC16968614; 1,4-Naphthoquinone imine, 2-amino-; 2-Amino-4-imino-naphthalene-1(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15013	.	.	.	.	172.18	C10H8N2O	66.9	293	1.9	13	2	3	0	"InChI=1S/C10H8N2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H,12H2"	C1=CC=C2C(=C1)C(=N)C=C(C2=O)N	QDPCYPPJLOKHQK-UHFFFAOYSA-N
DG50342	Nifurmerone	21753	"NIFURMERONE; 5579-95-3; Metofurone; NF-71; Ethanone, 2-chloro-1-(5-nitro-2-furanyl)-; UNII-F57Y390K2N; NF 71; Chloromethyl 5-nitro-2-furyl ketone; Ketone, chloromethyl 5-nitro-2-furyl; F57Y390K2N; NSC-84429; 2-Chloro-1-(5-nitrofuran-2-yl)ethan-1-one; Nifurmerona; Nifurmeronum; Nifurmerone [USAN:INN]; 2-chloro-1-(5-nitrofuran-2-yl)ethanone; (Chlormethyl)(5-nitro-2-furyl)keton; 2-Chloro-1-(5-nitro-2-furyl)ethanone; Nifurmerone (USAN/INN); 2-chloroacetyl-5-nitrofuran; SCHEMBL398798; ZINC1807; CHEMBL2106787; DTXSID90204358; NSC84429; CCG-40502; NSC 84429; AKOS006273133; D05163; Q27277663"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84429	.	.	.	.	189.55	C6H4ClNO4	76	202	1.8	12	0	4	2	"InChI=1S/C6H4ClNO4/c7-3-4(9)5-1-2-6(12-5)8(10)11/h1-2H,3H2"	C1=C(OC(=C1)[N+](=O)[O-])C(=O)CCl	DQJAAEADFORVGZ-UHFFFAOYSA-N
DG50343	p-[[p-(Phenylazo)phenyl]azo]phenol	22623	"Disperse Yellow 23; 6250-23-3; C.I. DISPERSE YELLOW 23; p-[[p-(Phenylazo)phenyl]azo]phenol; Dianix Yellow 5R; Latyl Yellow 4RL; Foron Yellow RGFL; Cibacet Yellow 2RG; Setacyl Yellow 3RN; Terasil Yellow 2RG; Artisil Yellow RGFL; Calcophen Yellow 4RL; Nyloquinone Yellow 3R; Setacyl Yellow P-3RL; Fenacet Fast Yellow 4R; p-Hydroxy-p-bis azobenzene; Celliton Fast Yellow 4RL-CF; SRA Fast Golden Yellow XIII; Acetoquinone Light Yellow 3RLLZ; Esteroquinone Light Yellow 3RLL; Foron Yellow RGFL ultra-dispersed; 4-[(4-phenyldiazenylphenyl)diazenyl]phenol; C.I. 26070; Phenol, p-((p-(phenylazo)phenyl)azo)-; Phenol, 4-((4-(phenylazo)phenyl)azo)-; Phenol, 4-[[4-(phenylazo)phenyl]azo]-; p-((p-(Phenylazo)phenyl)azo)phenol; Phenol, p-[[p-(phenylazo)phenyl]azo]-; 4-[(E)-[4-[(E)-phenyldiazenyl]phenyl]diazenyl]phenol; Phenol, 4-(2-(4-(2-phenyldiazenyl)phenyl)diazenyl)-; Phenol, 4-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-; EINECS 228-370-0; NSC 45565; SCHEMBL1198024; DTXSID1064162; SCHEMBL20580111; SCHEMBL21995787; 4[4'-(phenylazo)phenylazo]phenol; NSC45565; C.I. Disperse Yellow 23 (8CI); NSC-45565; ZINC18060107; AKOS024333105; AKOS025116969; ZINC101482091; ZINC101482092; ZINC101482095; ZINC254751075; MCULE-7190695963; AS-17184; T572; C.I.26070; Disperse Yellow 23 100 microg/mL in Acetonitrile; W-110094; 4-(4-PHENYLAZO-PHENYLAZO)-PHENOL(DISPERSE DYE C.I. 26070)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45565	.	.	.	.	302.3	C18H14N4O	69.7	390	5.5	23	1	5	4	"InChI=1S/C18H14N4O/c23-18-12-10-17(11-13-18)22-21-16-8-6-15(7-9-16)20-19-14-4-2-1-3-5-14/h1-13,23H"	C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)O	RTZYVAQWQXPIAC-UHFFFAOYSA-N
DG50344	"4'-Nitro-[1,1'-biphenyl]-2-amine"	22658	"6272-52-2; 4'-Nitro-biphenyl-2-ylamine; 4'-Nitro-[1,1'-biphenyl]-2-amine; 2-(4-nitrophenyl)aniline; 2-Amino-4'-nitrobiphenyl; 2-BIPHENYLAMINE, 4'-NITRO-; MLS002639355; 4'-Nitro-(1,1'-biphenyl)-2-amine; 4'-Nitro-2-biphenylamine; EINECS 228-462-0; NSC 30863; BRN 2806990; NSC30863; 4'-nitro[1,1'-biphenyl]-2-amine; [1,1'-Biphenyl]-2-amine, 4'-nitro-; 4-nitrophenyl benzenamine; 4-Nitrobiphenyl-2-ylamine; 4-12-00-03236 (Beilstein Handbook Reference); CHEMBL352290; SCHEMBL3010864; DTXSID30211804; 4'-NITROBIPHENYL-2-AMINE; HMS3091E13; [2-(4-nitrophenyl)-phenyl]-amine; AMY23533; ZINC1661396; 5660AH; MFCD01740422; NSC-30863; AKOS024260529; AB09889; SMR001548800; DB-073179; FT-0654064; A833953"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30863	.	.	.	.	214.22	C12H10N2O2	71.8	244	2.7	16	1	3	1	"InChI=1S/C12H10N2O2/c13-12-4-2-1-3-11(12)9-5-7-10(8-6-9)14(15)16/h1-8H,13H2"	C1=CC=C(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])N	AMBSXARSPPODRO-UHFFFAOYSA-N
DG50345	Lobendazole	22752	"Lobendazole; 6306-71-4; Ethyl 2-benzimidazolecarbamate; ethyl (1H-benzo[d]imidazol-2-yl)carbamate; Ethyl 1H-benzimidazol-2-ylcarbamate; NSC-42044; 2-Carboethoxyaminobenzimidazole; Ethyl 2-benzimidazolylcarbamate; SK&F 24529; N-(2'-Benzimidazolyl)-urethane; UNII-CMF6Z78SWL; Ethyl N-(2-benzimidazolyl)carbamate; SKF 24529; Benzimidazol-2-ylcarbamate ethyl ester; 2-Benzimidazolecarbamic acid, ethyl ester; ethyl N-(1H-benzimidazol-2-yl)carbamate; N-(2-Benzimidazolyl)carbamic acid ethyl ester; CMF6Z78SWL; 2-((Ethoxycarbonyl)amino)benzimidazole; NSC42044; N-(1H-BENZIMIDAZOL-2-YL)CARBAMIC ACID ETHYL ESTER; Ethyl(1H-benzo[d]imidazol-2-yl)carbamate; Lobendazol; Lobendazolum; Lobendazole [USAN:INN]; Lobendazol [INN-Spanish]; Lobendazolum [INN-Latin]; Ethyl benzimidazolecarbamate; 2-[(Ethoxycarbonyl)amino]benzimidazole; Ethyl 1H-benzimidazolylcarbamate; NSC 42044; Benzimidazole carbamate d'ethyle [French]; Benzimidazole carbamate d'ethyle; G 756; delta2,N-Benzimidazolinecarbamic acid, ethyl ester; Carbamic acid, 1H-benzimidazol-2-yl-, ethyl ester; CARBAMIC ACID, (2-BENZIMIDAZOLYL)-, ETHYL ESTER; CBDZ-M; Lobendazole, ethyl ester; ChemDivAM_000121; Lobendazole (USAN/INN); .DELTA.2, ethyl ester; ChemDiv1_000153; (1H-Benzoimidazol-2-yl)-carbamic acid ethyl ester; MLS006011651; SCHEMBL205437; CHEMBL2105088; CHEBI:92287; HMS587G21; ZINC49910; DTXSID70212390; HMS2093J17; Pharmakon1600-01505440; SKF24529; NSC759134; NSC764935; AKOS000538793; CCG-103228; MCULE-1063870923; NSC-759134; NSC-764935; ethyl 1H-benzo[d]imidazol-2-ylcarbamate; NCGC00263896-03; SMR000069102; SBI-0206847.P001; G-756; ethyl N-(1H-1,3-benzodiazol-2-yl)carbamate; D04754; 2-Benzimidazolecarbamic acid, ethyl ester (8CI); AB00275634_02; 306L714; Carbamic acid, 1H-benzimidazol-2-yl-,ethyl ester; SR-05000002015; (R)-Piperidine-1,3-dicarboxylic acid1-benzylester; SR-05000002015-1; BRD-K15834839-001-01-5; Q27164045; F0348-2711"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42044	.	.	.	.	205.21	C10H11N3O2	67	235	1.9	15	2	3	3	"InChI=1S/C10H11N3O2/c1-2-15-10(14)13-9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3,(H2,11,12,13,14)"	CCOC(=O)NC1=NC2=CC=CC=C2N1	OKOVSTKGUBOSTB-UHFFFAOYSA-N
DG50346	"ARSINE, DICHLORO(m-NITROPHENYL)-"	22753	"6306-96-3; ARSINE, DICHLORO(m-NITROPHENYL)-; TL 66; m-Nitrophenyl-dichloroarsine; Dichloro(m-nitrophenyl)arsine; dichloro-(3-nitrophenyl)arsane; Dichlor-m-nitrofenylarsin [Czech]; Dichlor-m-nitrofenylarsin; NSC 41658; Arsonous dichloride, (3-nitrophenyl)-; BRN 3266495; SCHEMBL11808214; DTXSID90212392; TL-66; NSC41658; NSC-41658; (3-NITROPHENYL)ARSONOUS DICHLORIDE; Arsonous dichloride, (3-nitrophenyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	41658	.	.	.	.	267.93	C6H4AsCl2NO2	45.8	173	.	12	0	2	0	InChI=1S/C6H4AsCl2NO2/c8-7(9)5-2-1-3-6(4-5)10(11)12/h1-4H	C1=CC(=CC(=C1)[As](Cl)Cl)[N+](=O)[O-]	OVXJYMMNEZNCEF-UHFFFAOYSA-N
DG50347	"1,2,3-Trichloro-4,6-dinitrobenzene"	22875	"2,3,4-trichloro-1,5-dinitrobenzene; Vancide PB; 1,2,3-TRICHLORO-4,6-DINITROBENZENE; 6379-46-0; Benzene, 2,3,4-trichloro-1,5-dinitro-; NSC 68092; 1,5-Dinitro-2,3,4-trichlorobenzene; 4,6-Dinitro-1,2,3-trichlorobenzene; BRN 2508567; Benzene, 1,2,3-trichloro-4,6-dinitro-; Benzene, 4,6-dinitro-1,2,3-trichloro-; NSC68092; TCDNB; 4-05-00-00749 (Beilstein Handbook Reference); SCHEMBL8654568; WLN: WNR BG CG DG ENW; DTXSID1021376; 1,3-Trichloro-4,6-dinitrobenzene; ZINC1694913; 1,2,3-Trichlor-4,6-dinitrobenzol; NSC-68092; STK370822; AKOS005445587; Benzene,2,3-trichloro-4,6-dinitro-; Benzene,3,4-trichloro-1,5-dinitro-; Benzene,6-dinitro-1,2,3-trichloro-; 1,2,3-trichloro-4,6-dinitro-benzene; MCULE-6296246243; Benzene, 2,3,4-trichloro-1,5-dinitro- (8CI)(9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	68092	.	.	.	.	271.4	C6HCl3N2O4	91.6	253	3.1	15	0	4	0	InChI=1S/C6HCl3N2O4/c7-4-2(10(12)13)1-3(11(14)15)5(8)6(4)9/h1H	C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)Cl)Cl)[N+](=O)[O-]	WUMOEIUPWHYXBM-UHFFFAOYSA-N
DG50348	NSC47723	22908	"Acid Red 151; Cloth Scarlet; 37678-79-8; Merpacyl Red L; Silk Scarlet GL; Benzyl Red G; Silk Red B; Fast Silk Red TR; Red L; Azo Silk Red 3B; Silk Red 3B; Amacid Neutral Red BW; Calcocid Milling Red 3R; C.I. Acid Red 151, monosodium salt; Benzenesulfonic acid, 4-[[4-[(2-hydroxy-1-naphthalenyl)azo]phenyl]azo]-; Tertracid Milling Scarlet GF; C.I. 26900; 4-[[4-[(2-Hydroxy-1-naphthyl)azo]phenyl]azo]benzenesulfonic acid; Benzenesulfonic acid, 4-((4-((2-hydroxy-1-naphthalenyl)azo)phenyl)azo)-; Benzenesulfonic acid, 4-(2-(4-(2-(2-hydroxy-1-naphthalenyl)diazenyl)phenyl)diazenyl)-; Benzenesulfonic acid, 4-[2-[4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]phenyl]diazenyl]-; EINECS 253-621-6; SCHEMBL4412992; CHEMBL1985378; DTXSID8068046; SCHEMBL11336943; NSC47723; ZINC4705995; NSC-47723; ZINC100589766; ZINC100589768; ZINC100589771; 4-((4-((2-Hydroxy-1-naphthyl)azo)phenyl)azo)benzenesulphonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	47723	.	.	.	.	432.5	C22H16N4O4S	132	737	4.7	31	2	8	5	"InChI=1S/C22H16N4O4S/c27-21-14-5-15-3-1-2-4-20(15)22(21)26-25-17-8-6-16(7-9-17)23-24-18-10-12-19(13-11-18)31(28,29)30/h1-14,27H,(H,28,29,30)"	C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)O)O	LEYJJTBJCFGAQN-UHFFFAOYSA-N
DG50349	Bis(2-carboxyphenyl)diselenide	23012	"Bis(2-carboxyphenyl)diselenide; 6512-83-0; Diseleno salicylic acid; BENZOIC ACID, 2,2'-DISELENOBIS-; 2-[(2-carboxyphenyl)diselanyl]benzoic acid; CHEMBL1976884; o,o'-Selenobis(benzoic acid); 2,2'-Selenobis(benzoic acid); Acide diselino salicylique [French]; Acide diselino salicylique; BRN 2625315; 2,2'-diselenodibenzoic acid; 4-10-00-00314 (Beilstein Handbook Reference); SCHEMBL10521544; DTXSID00215435; 2,2'-Dicarboxy-diphenyl-diselenide; BDBM50534788; MFCD00428759; NSC632603; AKOS015969226; NSC-632603; NCI60_010711"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632603	.	.	.	.	400.2	C14H10O4Se2	74.6	327	.	20	2	4	5	"InChI=1S/C14H10O4Se2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)"	C1=CC=C(C(=C1)C(=O)O)[Se][Se]C2=CC=CC=C2C(=O)O	KQOVQKHBCWQFCJ-UHFFFAOYSA-N
DG50350	Helenalin	23205	"HELENALIN; 6754-13-8; PF 56; Helenalin A; HSDB 3490; NSC85236; UNII-4GUY9L896T; NSC 85236; MLS000728512; 4GUY9L896T; CHEBI:5635; 6alpha,8beta-Dihydroxy-4-oxoambrosa-2,11(13)-dien-12-oic acid 12,8-lactone; Ambrosa-2,11(13)-dien-12-oic acid, 6-alpha,8-beta-dihydroxy-4-oxo-, 12,8-lactone; SMR000445626; (3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione; (3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione; (3aR,5R,5aR,8aR,9S,9aS)-9-Hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[7,6-d]furan-2,8-dione; MLS002701927; BRN 0028081; Ambrosa-2,11(13)-dien-12-oic acid, 6alpha,8beta-dihydroxy-4-oxo-, 12,8-lactone; BSPBio_001312; (3aS)-3,3aalpha,4alpha,4a,7aalpha,8,9,9aalpha-Octahydro-4-hydroxy-4abeta,8 alpha-dimethyl-3-methyleneazuleno(6,5-b)-furan-2,5-dione; 4-18-00-01434 (Beilstein Handbook Reference); Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, (3aS-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9aalpha))-; cid_23205; SCHEMBL161593; CHEMBL338474; BDBM43484; DTXSID50217868; HMS1791B14; HMS1989B14; HMS2236C04; ZINC4098120; NSC-85236; Ambrosa-2,11(13)-dien-12-oic acid, 6.alpha.,8.beta.-dihydroxy-4-oxo-, 12,8-lactone; NCGC00163416-01; NCGC00163416-02; Azuleno[6,5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, [3aS-(3a.alpha.,4.alpha.,4a.beta.,7a.alpha.,8.alpha.,9a.alpha.)]-; NCI60_041870; HY-119970; CS-0078850; C09473; Q387505; WLN: T C575 DYVO MV KUTJ A1 BQ DU1 I1; BRD-K26302255-001-02-3; Ambrosa-2, 6.alpha.,8.beta.-dihydroxy-4-oxo-, 12,8-lactone; Ambrosa-2,11(13)-dien-12-oic acid, 6alpha,8beta-dihydroxy-4-oxo-, 12,8-lactone (8CI); (3aR,5R,5aR,8aR,9S,9aS)-5,8a-dimethyl-1-methylidene-9-oxidanyl-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione; (3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-quinone; (3aS)-3,3aalpha,4alpha,4a,7aalpha,8,9,9aalpha-octahydro-4-hydroxy-4abeta,8alpha-dimethyl-3-methyleneazuleno(6,5-b)-furan-2,5-dione; (3aS,4S,4aR,7aR,8R,9aR)-4-hydroxy-4a,8-dimethyl-3-methylene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione; (3aS,4S,4aR,7aR,8R,9aR)-4-hydroxy-4a,8-dimethyl-3-methylidene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione; 4-Hydroxy-4a,8-dimethyl-3-methylene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione; Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, (3aS-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9aalpha))- (9CI); Azuleno[6,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, [3aS-(3a.alpha.,4.alpha.,4a.beta.,7a.alpha.,8.alpha.,9a.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85236	.	.	.	.	262.3	C15H18O4	63.6	506	1.4	19	1	4	0	"InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13+,15+/m1/s1"	C[C@@H]1C[C@@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)O)C(=C)C(=O)O2	ZVLOPMNVFLSSAA-XEPQRQSNSA-N
DG50351	Coralyne chloride	23306	"Coralyne chloride; Coralyne; Coralyne (chloride); (-)-Coralyne chloride hydrate; 6872-73-7; 38989-38-7; NSC96349; 2,3,10,11-tetramethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium;chloride; EINECS 254-239-2; NSC 96349; NSC 154891; Dibenzo[a, 2,3,10,11-tetramethoxy-8-methyl-, chloride; 8-Methyl-2,3,10,11-tetramethoxydibenzo(a,g)quinolizinium chloride; 5,6,7,8,13,13a-Hexadehydro-8-methyl-2,3,10,11-tetramethoxyberbinium chloride; DIBENZO(a,g)QUINOLIZINIUM, 8-METHYL-2,3,10,11-TETRAMETHOXY-, CHLORIDE; SPECTRUM1500861; CHEMBL363506; SCHEMBL3320097; DTXSID50959832; HMS1921K20; 2,3,10,11-Tetramethoxy-8-methyldibenzo(a,g)quinolizinium chloride; 5,6,7,8,13,13a-Hexahydro-8-methyl-2,3,10,11-tetramethoxyberbinium; CCG-38524; NSC-96349; NSC154891; AKOS024348916; MCULE-4271694490; NSC-154891; BERBINIUM, 5,6,7,8,13,13a-HEXADEHYDRO-2,3,10,11-TETRAMETHOXY-8-METHYL-, CHLORIDE; NCGC00094866-01; NCGC00094866-02; HY-118581; CS-0067506; SR-05000002641; SR-05000002641-1; 2,3,10,11-Tetramethoxy-8-methylisoquinolino[3,2-a]isoquinolin-7-ium chloride; Dibenzo(a,g)quinolizinium, 2,3,10,11-tetramethoxy-8-methyl-, chloride (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	96349	.	.	.	.	399.9	C22H22ClNO4	41	503	.	28	0	5	4	"InChI=1S/C22H22NO4.ClH/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18;/h6-12H,1-5H3;1H/q+1;/p-1"	CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.[Cl-]	PDYBUYVOPAJLKP-UHFFFAOYSA-M
DG50352	"Colchicine, 10-demethoxy-10-(diethylamino)-"	23398	"10-Demethoxy-10-(diethylamino)colchicine; COLCHICINE, 10-DEMETHOXY-10-(DIETHYLAMINO)-; 6962-03-4; N-[(7S)-10-(diethylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide; NSC33690; BRN 3180742; CHEMBL420597; DTXSID50219887; ZINC2944423; NSC-33690; STL542372; AKOS002142032; MCULE-2601577931; Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-; N-[(S)-5,6,7,9-Tetrahydro-1,2,3-trimethoxy-10-diethylamino-9-oxobenzo[a]heptalen-7-yl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33690	.	.	.	.	440.5	C25H32N2O5	77.1	798	2.4	32	1	6	7	"InChI=1S/C25H32N2O5/c1-7-27(8-2)20-12-10-17-18(14-21(20)29)19(26-15(3)28)11-9-16-13-22(30-4)24(31-5)25(32-6)23(16)17/h10,12-14,19H,7-9,11H2,1-6H3,(H,26,28)/t19-/m0/s1"	CCN(CC)C1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C	VBJDWXFOMWSFLB-IBGZPJMESA-N
DG50353	(1-Methyl-1H-indol-3-YL)methanol	23406	"(1-METHYL-1H-INDOL-3-YL)METHANOL; 6965-44-2; (1-methylindol-3-yl)methanol; 3-INDOLEMETHANOL, 1-METHYL-; UNII-M68WFS5KSK; M68WFS5KSK; (1-methyl-1H-indol-3-yl)-methanol; 3-Hydroxymethyl-1-methylindole; NSC 67601; BRN 0130675; 1H-Indole-3-methanol, 1-methyl-; NCIOpen2_000262; (1-Methyindol-3-yl)methanol; 1-methyl-3-hydroxymethylindole; SCHEMBL1094688; 1-Methyl-1H-indole-3-methanol; DTXSID80219911; NSC67601; ZINC1694509; MFCD00572802; NSC-67601; AKOS000276026; AM806322; AS-39446; F2106-0187"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67601	.	.	.	.	161.2	C10H11NO	25.2	160	1.1	12	1	1	1	"InChI=1S/C10H11NO/c1-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-6,12H,7H2,1H3"	CN1C=C(C2=CC=CC=C21)CO	LULITKYYLCRIIB-UHFFFAOYSA-N
DG50354	"1-Phenyl-3,3-dimethyltriazene"	23654	"1-Phenyl-3,3-dimethyltriazene; 3,3-DIMETHYL-1-PHENYLTRIAZENE; 7227-91-0; PDMT; 1-Triazene, 3,3-dimethyl-1-phenyl-; N-methyl-N-phenyldiazenylmethanamine; Triazene, 3,3-dimethyl-1-phenyl-; 1-Fenyl-3,3-dimethyltriazin; X 119; NSC 3094; UNII-79R3ZF226Y; (1E)-3,3-dimethyl-1-phenyltriaz-1-ene; 79R3ZF226Y; 1-phenyl-3,3-dimethyl-1-triazene; CCRIS 507; 3,3-Dimethyl-1-phenyl-1-triazene; EINECS 230-627-7; BRN 0907506; AI3-22123; DSSTox_CID_1128; WLN: 1N1&NUNR; DSSTox_RID_75959; DSSTox_GSID_21128; 4-16-00-00903 (Beilstein Handbook Reference); SCHEMBL187587; 3,3-Dimethyl-1-phenyltriazen; SCHEMBL2109239; Triazene,3-dimethyl-1-phenyl-; CHEMBL1981220; CHEMBL3188118; DTXSID5021128; NSC3094; 1-Triazene,3-dimethyl-1-phenyl-; NSC-3094; Tox21_301876; ZINC16891895; AKOS006282831; ZINC104038518; 3,3-Dimethyl-1-phenyl-1-triazene #; MCULE-8821365622; NCGC00255139-01; NCI60_002653; CAS-7227-91-0; 1-Triazene, 3,3-dimethyl-1-phenyl- (9CI); Q27266771"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3094	.	.	.	.	149.19	C8H11N3	28	125	2.6	11	0	3	2	"InChI=1S/C8H11N3/c1-11(2)10-9-8-6-4-3-5-7-8/h3-7H,1-2H3"	CN(C)N=NC1=CC=CC=C1	LLROQAGEAVDYFP-UHFFFAOYSA-N
DG50355	"ACETIC ACID, IODO-, TRIESTER with GLYCEROL"	23681	"Glycerol-tris(iodoacetate); ACETIC ACID, IODO-, TRIESTER with GLYCEROL; S 52; 7250-46-6; NSC 30033; DTXSID30222814; Acetic acid, triester with glycerol; NSC30033; ZINC4748393; NSC-30033; S-52; Acetic acid, iodo-, 1,2,3-propanetriyl ester (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30033	.	.	.	.	595.89	C9H11I3O6	78.9	276	2.3	18	0	6	11	"InChI=1S/C9H11I3O6/c10-1-7(13)16-4-6(18-9(15)3-12)5-17-8(14)2-11/h6H,1-5H2"	C(C(COC(=O)CI)OC(=O)CI)OC(=O)CI	NSGOBVLOLGZLSI-UHFFFAOYSA-N
DG50356	Molybdenum	23932	"7439-98-7; Mo; Molybdenum; Molybdenum(6+); Molybdenum(6+) ion; MOLYBDENUM ATOM; MOLYBDENUM(VI) ION; Molybdenum, elemental; molybdenum(5+); Molybdenum, ion (Mo(6+)); Molybdenum (VI) ion; UNII-81AH48963U; Mo6+; Molybdenum, ion (Mo5+); Molybdenum wire; Mo(6+); MFCD00003465; 81AH48963U; MChVL; 6MO; Molybdenum, metallic; Metco 63; TsM1; molibdeno; Molybdenum wire, platinum coated, 0.457mm (0.018in) dia; Amperit 106.2; Amperit 105.054; Molybdenum gauze, 10 mesh woven from 0.38mm (0.015mm) dia wire; Molybdenum gauze, 20 mesh woven from 0.305mm (0.012in) dia wire; Molybdenum gauze, 30 mesh woven from 0.204mm (0.008in) dia wire; Molybdenum gauze, 50 mesh woven from 0.0509mm (0.002in) dia wire; Molybdenum powder; Molybdenum gauze, 100 mesh woven from 0.0636mm (0.0025in) dia wire; Molybdenum gauze, 165 mesh woven from 0.0509mm (0.002in) dia wire, twilled weave; 4MO; Molybdenum compounds; Molybdenum metallicum; HSDB 5032; EINECS 231-107-2; Molybdenum rod; Molybdenum, insoluble compounds; Molybdenum sheet; Nitinol Rod; Molybdenum pellet; Molybdenum, crucible, cylindrical, length 1 pcs, outside diameter 47mm; Molybdenum, foil, thickness 0.015 mm, size 200 x 200 mm, purity 99.9%; Molybdenum, foil, thickness 0.020 mm, size 200 x 200 mm, purity 99.9%; Molybdenum, foil, thickness 0.025 mm, size 200 x 200 mm, purity 99.9%; Molybdenum, foil, thickness 0.03 mm, size 200 x 200 mm, purity 99.9%; Molybdenum, foil, thickness 0.03 mm, size 200 x 500 mm, purity 99.9%; Molybdenum hydride; Molybdenum pellets; Molybdenum(VI); Molybdenum Nanorods; Molybdenum(5 ); molybdenum trihydride; Molybdenum Nanopowder; molybdenum(5+) ion; molybdenum(V) cation; Molybdenum, compounds; Molybdenum ion(6+); molybdenum pentahydride; molybdenum(VI) cation; Molybdenum foil, 3N5; Molybdenum Nanoparticles; Molybdenum, metal and insoluble compounds; Molybdenum and compounds; Molybdenum Nano Dispersion; 42Mo; EC 231-107-2; Ultra Thin Molybdenum Nanofoil; DTXSID1024207; CHEBI:28685; CHEBI:30511; CHEBI:49446; HSDB 7540; Mo(5+); MOLYBDENUM, 99.99%; DTXSID00872441; DTXSID40872440; 8852AF; NSC622116; NSC622124; AKOS015902698; DB11137; Molybdenum rod, 12.7mm (0.5in) dia; Molybdenum rod, 6.4mm (0.25in) dia; Molybdenum, ion (Mo6+) (8CI,9CI); Molybdenum powder, spherical, -170 mesh; Molybdenum foil, 1.0mm (0.04in) thick; Molybdenum foil, 0.1mm (0.004in) thick; Molybdenum foil, 0.5mm (0.02 in) thick; FT-0695133; Molybdenum foil, 0.05mm (0.002in) thick; Molybdenum plate, 2.5mm (0.098in) thick; Molybdenum, >1% in a non hazardous diluent; Q1053; Molybdenum (Mo), 99.5% (metal basis) Nano; Molybdenum foil, 0.025mm (0.001in) thick; Molybdenum foil, 0.127mm (0.005in) thick; Molybdenum plate, 12.5mm (0.492in) thick; Molybdenum plate, 4.76mm (0.188in) thick; C00150; A838110; Lithium Cobalt Oxide (LiCoO2) Sputtering Targets; Molybdenum wire, 0.025mm (0.001in) dia, hard; Molybdenum wire, 0.203mm (0.008in) dia, hard; Molybdenum wire, 0.25mm (0.01in) dia, annealed; Molybdenum wire, 0.5mm (0.02in) dia, annealed; Molybdenum wire, 1.0mm (0.04in) dia, annealed; Molybdenum wire, 1.6mm (0.063in) dia, annealed; Molybdenum wire, 2.0mm (0.08in) dia, annealed; Molybdenum foil, 0.25mm (0.01in) thick, annealed; Molybdenum wire, 1.14mm (0.045in) dia, annealed; Molybdenum, rod, 50mm, diameter 5.0mm, 99.98%; Molybdenum wire, 0.013mm (0.00052in) dia, hard; Molybdenum wire, 0.127mm (0.005in) dia, annealed; Molybdenum wire, 0.375mm (0.015in) dia, annealed; Molybdenum wire, 1.58mm (0.0625in) dia, annealed; Molybdenum, pellets, 100g, max. size 10mm, 99.9%; Molybdenum, pellets, 200g, max. size 10mm, 99.9%; Molybdenum, pellets, 500g, max. size 10mm, 99.9%; Molybdenum, pellets, 50g, max. size 10mm, 99.9%; Molybdenum, rod, 100mm, diameter 5.0mm, 99.98%; Molybdenum, rod, 150mm, diameter 5.0mm, 99.98%; Q27104656; Q27113829; M087500000; Molybdenum wire, gold plated, 0.025mm (0.001in) dia; Molybdenum, foil, 1m coil, thickness 0.008mm, 99.9%; Molybdenum, foil, 1m coil, thickness 0.01mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.01mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.01mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.01mm, 99.9%; Molybdenum boat, Thickness (mm), 0.05, Length (mm), 75; Molybdenum rod, 5mm (0.2in) dia, 99.97% (metals basis); Molybdenum standard for AAS, ready-to-use, in nitric acid; Molybdenum, foil, 0.2m coil, thickness 0.008mm, 99.9%; Molybdenum, foil, 0.2m coil, thickness 0.01mm, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.008mm, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.01mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.005mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.006mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.007mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.009mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.01mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.005mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.006mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.007mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.009mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.01mm, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.01mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.005mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.006mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.007mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.009mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.0125mm, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.01mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.005mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.006mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.007mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.009mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.0125mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.005mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.006mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.007mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.009mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.0125mm, 99.9%; Molybdenum, nut, size m3, length 10 pcs, style hexagonal; Molybdenum, nut, size m4, length 25 pcs, style hexagonal; Molybdenum, nut, size m4, length 50 pcs, style hexagonal; Molybdenum, nut, size m5, length 25 pcs, style hexagonal; Molybdenum, nut, size m5, length 50 pcs, style hexagonal; Molybdenum, nut, size m6, length 25 pcs, style hexagonal; Molybdenum, nut, size m6, length 50 pcs, style hexagonal; Molybdenum, powder, <150 mum, 99.9% trace metals basis; Molybdenum, powder, <150 mum, 99.99% trace metals basis; Molybdenum, powder, 1-5 mum, >=99.9% trace metals basis; Molybdenum, powder, 10 mum, >=99.95% trace metals basis; Molybdenum, AAS standard solution, Specpure , Mo 1000 g/ml; Molybdenum, foil, 0.2m coil, thickness 0.0125mm, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.0125mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.0125mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.0125mm, 99.9%; Molybdenum, foil, 1m coil, thickness 0.1mm, annealed, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.0125mm, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.0125mm, 99.9%; Molybdenum, foil, 50x50mm, thickness 10mm, annealed, 99.9%; Molybdenum, Oil based standard solution, Specpure, Mo 5000g/g; Molybdenum, plasma standard solution, Specpure , Mo 10 g/ml; Molybdenum, wire reel, 10m, diameter 0.01mm, hard, 99.8+%; Molybdenum, wire reel, 1m, diameter 0.013mm, hard, 99.8+%; Molybdenum, wire reel, 1m, diameter 0.5mm, annealed, 99.95%; Molybdenum, wire reel, 1m, diameter 0.7mm, annealed, 99.95%; Molybdenum, wire reel, 1m, diameter 0.8mm, annealed, 99.95%; Molybdenum, wire reel, 1m, diameter 1.0mm, annealed, 99.95%; Molybdenum, wire reel, 20m, diameter 0.01mm, hard, 99.8+%; Molybdenum, wire reel, 50m, diameter 0.03mm, hard, 99.95%; Molybdenum, wire reel, 5m, diameter 0.013mm, hard, 99.8+%; Molybdenum, wire reel, 5m, diameter 0.025mm, hard, 99.95%; Molybdenum, wire reel, 5m, diameter 0.03mm, hard, 99.95%; Molybdenum, wire reel, 5m, diameter 0.5mm, annealed, 99.95%; Molybdenum, wire reel, 5m, diameter 0.7mm, annealed, 99.95%; Molybdenum, wire reel, 5m, diameter 0.8mm, annealed, 99.95%; Molybdenum, wire reel, 5m, diameter 1.0mm, annealed, 99.95%; Molybdenum, wire, diam. 1.0 mm, 99.95% trace metals basis; Molybdenum, wire, straight, 1000mm, diameter 0.5mm, 99.95%; Molybdenum, wire, straight, 1000mm, diameter 1.0mm, 99.95%; Molybdenum, wire, straight, 500mm, diameter 1.0mm, 99.95%; Molybdenum, wire, straight, 600mm, diameter 0.5mm, 99.95%; Molybdenum gauze, 40 mesh woven from 0.13mm (0.005in) dia wire; Molybdenum gauze, 40 mesh woven from 0.13mm (0.005mm) dia wire; Molybdenum slug, 6.35mm (0.25in) dia x 12.7mm (0.50in) length; Molybdenum slug, 6.35mm (0.25in) dia x 6.35mm (0.25in) length; Molybdenum, foil, 0.5m coil, thickness 0.015mm, annealed, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.01mm, annealed, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.020mm, annealed, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.025mm, annealed, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.05mm, annealed, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.1mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.15mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.1mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.20mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.25mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.30mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.5mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.75mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 1.0mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 1.0mm, annealed, 99.98%; Molybdenum, foil, 100x100mm, thickness 1.5mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 2.0mm, annealed, 99.9%; Molybdenum, foil, 100x100"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622124	.	.	.	.	95.95	Mo	0	0	.	1	0	0	0	InChI=1S/Mo	[Mo]	ZOKXTWBITQBERF-UHFFFAOYSA-N
DG50357	Agn-PC-0jkhes	24040	49722-31-8; AGN-PC-0JKHES; SCHEMBL20639378; DTXSID30274757; NSC107529	.	.	Investigative Drug(s)	Investigative	Small molecular drug	107529	.	.	.	.	675.7	C42H33N3O6	191	1030	.	51	7	9	6	"InChI=1S/C23H16O6.C19H17N3/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-10,24-25H,11H2,(H,26,27)(H,28,29);1-12,20H,21-22H2"	C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N	WSMURVZCWHMKQP-UHFFFAOYSA-N
DG50359	Mercuric chloride	24085	"MERCURIC CHLORIDE; Dichloromercury; Mercury(II) chloride; Sublimate; Mercury bichloride; Mercury dichloride; Corrosive sublimate; Mercuric bichloride; Mercury perchloride; 7487-94-7; Sublimat; Chlorure mercurique; Sulema; HgCl2; Corrosive mercury chloride; Perchloride of mercury; Calochlor; Fungchex; Sulem; Bichlorure de mercure; Abavit B; Mercury chloride (HgCl2); Bichloride of mercury; Chlorid rtutnaty; Mercury(2+) chloride; Quecksilber chlorid; Cloruro di mercurio; mercury(II)chloride; dichlorure de mercure; TL 898; ClHgCl; NCI-C60173; NSC 353255; hydrargyrum bichloratum; Quecksilber(II)-chlorid; Mercuric chloride [JAN]; Mercury chloride (HgCl(2)); CHEBI:31823; MFCD00011041; Calocure; Mercuric chloride (JAN); Sublimat [Czech]; Sulema [Russian]; Caswell No. 544; Hydraargyrum bichloratum; Mercuric chloride [ISO]; Chlorid rtutnaty [Czech]; Chlorure mercurique [French]; Quecksilber chlorid [German]; HSDB 33; Bichlorure de mercure [French]; CCRIS 4838; Mercury chloride (2); Chlorure mercurique [ISO-French]; EINECS 231-299-8; UN1624; EPA Pesticide Chemical Code 052001; Mercuric chloride [JAN:ISO]; cloruro de mercurio; mercury (II)chloride; mercury(II)-chloride; Mercuric chloride, solid; Epitope ID:158532; WLN: HG G2; Mercuric chloride [Mercury and mercury compounds]; Mercury(II) chloride, >=98%; Mercury(II) chloride, Puratronic ; NSC353255; Mercury(II) chloride, AR, >=99%; Mercury(II) chloride, LR, >=99%; DB13765; NSC-353255; UN 1624; Mercuric chloride [UN1624]  [Poison]; NCGC00249199-01; NCI60_003160; Mercury(II) chloride, ReagentPlus(R), 99%; D01905; Mercury(II) chloride, ACS reagent, >=99.5%; Q143200; Mercury(II) chloride, 99.999% trace metals basis; Mercury(II) chloride, p.a., ACS reagent, 99.5%; Mercury(II) chloride, JIS special grade, >=99.5%; Mercury(II) chloride, puriss. p.a., ACS reagent, >=99.5% (KT); Mercury(II) chloride, anhydrous, powder, 99.998% trace metals basis; Mercury(II) chloride, anhydrous, beads, -10 mesh, 99.999% trace metals basis; Mercury(II) chloride, puriss. p.a., ACS reagent, reag. ISO, >=99.5% (calc. to the dried substance)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353255	.	.	.	.	271.5	Cl2Hg	0	2.8	.	3	0	0	0	InChI=1S/2ClH.Hg/h2*1H;/q;;+2/p-2	Cl[Hg]Cl	LWJROJCJINYWOX-UHFFFAOYSA-L
DG50360	Metoprine	24466	"METOPRINE; Methodichlorophen; 7761-45-7; DDMP; Metoprine [USAN]; NSC-19494; 5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE-2,4-DIAMINE; BW-197U; TCMDC-123931; SK 5265; U 197; NSC7364; U-197; UNII-2L9RKX796Q; Metoprine (USAN); 2,4-Diamino-5-(3',4'-dichlorophenyl)-6-methyl pyrimidine; 5-(3,4-Dichlorophenyl)-6-methyl-2,4-pyrimidinediamine; 2,4-Pyrimidinediamine, 5-(3,4-dichlorophenyl)-6-methyl-; BW50197; MLS002701892; 2L9RKX796Q; CHEMBL264373; BW 197U; BW 197 U; NSC-7364; NSC19494; BW 50197; 2,4-dichlorophenyl)-6-methylpyrimidine; 2, 5-(3,4-dichlorophenyl)-6-methyl-; WLN: T6N CNJ BZ DZ ER CG DG& F1; BW 50-197; NSC 7364; NSC 19494; Pyrimidine,4-diamino-5-(3,4-dichlorophenyl)-6-methyl-; BRN 0223622; 5-(3,4-Dichlorphenyl)-6-methyl-2,4-pyrimidindiamin; 2,4-Diamino-5-(3,4-dichlorophenyl)-6-methylpyrimidine; AI3-26402; 2aov; Pyrimidine, 2,4-diamino-5-(3,4-dichlorophenyl)-6-methyl-; NCIMech_000234; Neuro_000005; SCHEMBL3681; DSSTox_CID_31620; DSSTox_RID_97504; DSSTox_GSID_57831; GTPL7412; ZINC1723; DTXSID0057831; SCHEMBL21068061; 5-(3,4-dichlorophenyl)-6-methyl-pyrimidine-2,4-diamine; METOPRINE; METHODICHLOROPHEN; Tox21_113755; BDBM50059956; CCG-35473; AKOS015994567; DB04655; ES-0012; NCGC00253626-01; C2M; NCI60_041610; SMR001565478; CAS-7761-45-7; DB-087950; HY-129441; CS-0105542; FT-0672389; 197U50; A21316; D00309; Q27085870; 5-(3,4-Dichloro-phenyl)-6-methyl-pyrimidine-2,4-diamine; DDMP5-(3,4-Dichloro-phenyl)-6-methyl-pyrimidine-2,4-diamine; 5-(3,4-Dichloro-phenyl)-6-methyl-pyrimidine-2,4-diamine(Metoprine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7364	.	.	.	.	269.13	C11H10Cl2N4	77.8	266	2.8	17	2	4	1	"InChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)"	CC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)Cl	VQJHOPSWBGJHQS-UHFFFAOYSA-N
DG50361	7-Chloroquinolin-8-ol	24691	"7-Chloroquinolin-8-ol; 876-86-8; 7-Chloro-8-quinolinol; 7-Chloro-8-hydroxyquinoline; UNII-K9AEQ8892Y; NSC673451; K9AEQ8892Y; 8-Quinolinol, 7-chloro-; EINECS 212-882-6; SCHEMBL114706; CHEMBL141396; RMJFNYXBFISIET-UHFFFAOYSA-; DTXSID90236513; 3933AC; MFCD11870758; ZINC13208912; AKOS016009079; NSC-673451; SB67730; AS-50264; NCI60_026021; BB 0258599; CS-0155828; FT-0664942; O11652; Q27282126; UNII-Z7Z4BX535U component RMJFNYXBFISIET-UHFFFAOYSA-N"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673451	.	.	.	.	179.6	C9H6ClNO	33.1	165	2.5	12	1	2	0	"InChI=1S/C9H6ClNO/c10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-5,12H"	C1=CC2=C(C(=C(C=C2)Cl)O)N=C1	RMJFNYXBFISIET-UHFFFAOYSA-N
DG50362	Methylphenol	24693	"Methylphenol; NSC21061; NSC-21061; cresolum; Mixed cresols; MFCD00151099; o(m And p)-Cresol; Cresol (mixed isomers); UNII-GF3CGH8D7Z; GF3CGH8D7Z; 2-methylphenol; 3-methylphenol; 4-methylphenol; Cresol (mixture of isomers); Cresol mixture of isomers, CP; SCHEMBL6243247; CHEMBL1410808; HY-B0969; NCI21061; CCG-36795; NCGC00013272; AKOS037515481; CS-4454; NCGC00013272-02; NCGC00096391-01; NCI60_001764; 2-methylphenol;3-methylphenol;4-methylphenol; FT-0624096; A806346; m-cresol compound with o-cresol and p-cresol (1:1:1); Cresol mixture of isomers, technical, crude, ~85% (sum of isomers, GC)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21061	.	.	.	.	324.4	C21H24O3	60.7	204	.	24	3	3	0	"InChI=1S/3C7H8O/c1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8/h3*2-5,8H,1H3"	CC1=CC=C(C=C1)O.CC1=CC(=CC=C1)O.CC1=CC=CC=C1O	QTWJRLJHJPIABL-UHFFFAOYSA-N
DG50363	"(13S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol"	24707	"(13S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol; 17alpha-Ethynylestradiol;Ethynylestradiol; Spectrum_001060; Spectrum2_001004; Spectrum3_000427; Spectrum4_000546; Spectrum5_001043; BSPBio_002014; KBioGR_001211; KBioSS_001540; DivK1c_000520; SCHEMBL799867; SPECTRUM1500291; SPBio_001127; CHEBI:91483; HMS501J22; KBio1_000520; KBio2_001540; KBio2_004108; KBio2_006676; KBio3_001234; NINDS_000520; HMS1920M20; HMS2091D21; HMS3393I19; Pharmakon1600-01500291; CCG-40222; NSC757027; NSC-757027; IDI1_000520; NCGC00178863-01; SBI-0051376.P003; AB00051989_02; SR-05000001625; SR-05000001625-1; BRD-A02367930-001-02-9; BRD-A02367930-001-03-7; Q27163322"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757027	.	.	.	.	296.4	C20H24O2	40.5	505	3.7	22	2	2	1	"InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16 ,17 ,18 ,19-,20-/m0/s1"	C[C@]12CCC3C(C1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O	BFPYWIDHMRZLRN-OQPPHWFISA-N
DG50364	Hydrazine sulfate	24842	"Hydrazine sulfate; 10034-93-2; Hydrazine, sulfate; Hydrazine monosulfate; Hydrazine sulphate; Hydrazinium sulfate; Hydrazine sulfate (1:1); Hydrazine, sulfate (1:1); Hydrazonium sulfate; Siran hydrazinu; Idrazina solfato; Hydrazinium(2+) sulfate; Hydrazine sulfate salt; Hydrazine dihydrogen sulfate salt; HYDRAZINE HYDROGEN SULFATE; NSC-150014; UNII-1N369SAT01; MFCD00044873; 1N369SAT01; NSC150014; Segidrin; Sehydrin; Diamidogen sulfate; Hydrazinium(2+) sulphate; WLN: ZZ &S-O4; Siran hydrazinu [Czech]; Hydrazine sulfate (VAN); Idrazina solfato [Italian]; CCRIS 336; HSDB 5086; hydrazine; sulfuric acid; EINECS 233-110-4; NSC 150014; NSC 215190; Hydrazinsulfat; Idrazina solfato  [Italian]; AI3-18433; Hydrazine sulphate salt; DSSTox_CID_703; Hydrazine dihydrogen sulfate; DSSTox_RID_75745; DSSTox_GSID_20703; H6N2O4S; CHEMBL1981828; DTXSID8020703; AMY8941; Tox21_302995; GP-703; NSC215190; AKOS015901874; NSC-215190; Hydrazinium sulfate, Hydrazonium sulfate; NCGC00256445-01; NCI60_001038; CAS-10034-93-2; DB-029899; FT-0627114; Hydrazine sulfate salt, ACS reagent, >=99.0%; Hydrazinium sulfate, SAJ first grade, >=97.0%; Hydrazinium sulfate, JIS special grade, >=99.0%; Q413847; Hydrazine sulfate salt, p.a., ACS reagent, 99.0%; Hydrazine sulfate salt, 99.999% trace metals basis; Hydrazine sulfate salt, Vetec(TM) reagent grade, 97%; Hydrazine sulfate salt, puriss. p.a., ACS reagent, >=99.0%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150014	.	.	.	.	130.13	H6N2O4S	135	81.3	.	7	4	6	0	"InChI=1S/H4N2.H2O4S/c1-2;1-5(2,3)4/h1-2H2;(H2,1,2,3,4)"	NN.OS(=O)(=O)O	ZGCHATBSUIJLRL-UHFFFAOYSA-N
DG50365	Cadmium chloride	24947	"10108-64-2; cadmium chloride; Dichlorocadmium; Cadmium dichloride; Caddy; Cadmium chloride (CdCl2); VI-Cad; Kadmiumchlorid; CdCl2; Cadmium(II) chloride; Caswell No. 135; CCRIS 114; HSDB 278; NSC51148; NSC 51148; Cadmium Chloride Anhydrous; Cadmium chloride, anhydrous; AI3-09096; MFCD00010916; Cadmium chloride, ultra dry; Kadmiumchlorid [German]; EINECS 233-296-7; EPA Pesticide Chemical Code 012902; cadmium(2+) chloride; [CdCl2]; Cadmium chloride [Cadmium and cadmium compounds]; WLN: CD G2; CHEBI:35456; Cadmium chloride 0.1 M solution; Cadmium chloride, technical grade; CCG-35380; NSC-51148; AKOS015902786; BP-10826; Cadmium chloride, anhydrous, 99% (ACS); NCI60_004237; Cadmium chloride (CdCl2) (7CI,8CI,9CI); FT-0664185; Cadmium chloride, 99.99% trace metals basis; EC 233-296-7; BRD-K26756156-001-01-2; Cadmium chloride, (99.999%-Cd) (O2 < 50ppm) PURATREM; Cadmium chloride, anhydrous, beads, -10 mesh, 99.999% trace metals basis; Cadmium atomic spectroscopy standard concentrate 1.00 g Cd, 1.00 g/L, for 1L standard solution, analytical standard; Cadmium atomic spectroscopy standard concentrate 10.00 g Cd, 10.00 g/L, for 1L standard solution"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51148	.	.	.	.	183.32	CdCl2	0	2.8	.	3	0	0	0	InChI=1S/Cd.2ClH/h;2*1H/q+2;;/p-2	Cl[Cd]Cl	YKYOUMDCQGMQQO-UHFFFAOYSA-L
DG50366	Ancitabine	25051	"ANCITABINE; Cyclocytidine; 31698-14-3; 2,2'-Anhydrocytidine; Ancytabine; 2,2'-Cyclocytidine; Anhydrocytidine; Anhydroara C; Ancitabinum; Ancitabina; 2,2'-Anhydroarabinosylcytosine; Cyclo-C; 2,2'-O-Cyclocytidine; UNII-DO2D32W0VC; DO2D32W0VC; CHEBI:74838; (2R,3R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-6-imino-6H-furo(2',3';4,5)oxazolo(3,2-a)pyrimidine-2-methanol; NCGC00159322-02; DSSTox_CID_357; 2,2'-Anhydro-(beta-D-arabinofuranosyl)cytidine; DSSTox_RID_75535; DSSTox_GSID_20357; (2R,3R,3aS,9aR)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-ol; Ancitabine [INN]; MLS001173324; Ancitabinum [INN-Latin]; Ancitabina [INN-Spanish]; O(sup 2),2'-Cyclocytidine; CAS-31698-14-3; CCRIS 2757; NSC145668; SMR000538927; (-)-Cyclocytidine hydrochloride; OCTD; 2,2'-anhydro-AraC; NSC129220; O(2,2')-cyclocytidine; 2,2'-Anhydro-L-cytidine; SCHEMBL8708; 6H-Furo(2',3':4,5)oxazolo(3,2-a)pyrimidine-2-methanol, 2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, (2R-(2alpha,3beta,3abeta,9abeta))-; cid_25050; CHEMBL1412614; DTXSID6020357; BDBM58407; HMS2090A16; ACT03227; TNP00125; ZINC4027061; Tox21_111571; Tox21_301815; AKOS025312528; MCULE-9891076158; SMP1_000022; NCGC00017239-01; NCGC00159322-04; NCGC00159322-05; NCGC00159322-06; NCGC00255140-01; 6H-Furo(2',3':4,5)oxazolo(3,2-alpha)pyrimidine-2-methanol, 2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, stereoisomer; 4,5)oxazolo(3,2-a)pyrimidine-2-methanol; AB00430480-02; 2,2'-anhydro-1-(beta-D-arabinofuranosyl)cytosine; 2,2'-Anhydro-1-.beta.-D-arabinofuranosylcytosine; 698A143; W-202309; BRD-K67536197-003-11-4; Q27144950; (2R,3R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-6-imino-6H-furo(2',3'; (2R,3R,3aS,9aR)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-3-ol; (2R,3R,3aS,9aR)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[[ ]:[ ]]oxazolo[[ ]]pyrimidin-3-ol; (2R,3R,3aS,9aR)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[1,2][1,3]oxazolo[3,4-a]pyrimidin-3-ol;hydrochloride; (2R,3R,3aS,9aR)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-3-ol;hydrochloride; (2R,3R,3aS,9aR)-6-azanylidene-2-(hydroxymethyl)-2,3,3a,9a-tetrahydrofuro[1,2][1,3]oxazolo[3,4-a]pyrimidin-3-ol;hydrochloride; (2R,3R,3aS,9aR)-6-imino-2-methylol-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-3-ol; (2R,3R,3aS,9aR)-6-imino-2-methylol-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-3-ol;hydrochloride; (2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol; [2R-(2alpha,3beta,3abeta,9abeta)]-2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-6H-furo[2',3':4,5]pxazolo[3,2-a]pyrimidine-2-methanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129220	.	.	.	.	225.2	C9H11N3O4	98.4	394	-2.4	16	3	5	1	"InChI=1S/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6-,7+,8-/m1/s1"	C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=N	BBDAGFIXKZCXAH-CCXZUQQUSA-N
DG50367	Carbendazim	25429	"Carbendazim; 10605-21-7; Carbendazole; Bavistin; Mecarzole; Carbendazime; Thicoper; Carbendazol; Bavistan; Derosal; Medamine; Funaben; Methyl 2-benzimidazolecarbamate; BMK (fungicide); Carbendazym; Equitdazin; Garbenda; Kemdazin; Supercarb; Agrizim; Battal; Bengard; Bitosen; Custos; Delsene; Karben; Kolfugo; Stempor; Myco; Bavistin 3460; carbendazine; Methyl benzimidazol-2-ylcarbamate; Falicarben; Pillarstin; Fungisol; Triticol; Stein; Spin; Bercema-Bitosen; Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester; Kolfugo Extra; methyl 1H-benzo[d]imidazol-2-ylcarbamate; Preventol BCM; Antibac MF; Carben VL; Funaben 3; BCM (fungicide); METHYL 1H-BENZIMIDAZOL-2-YLCARBAMATE; 2-MBC; IPO Y; Methyl benzimidazolylcarbamate; Benzimidazolecarbamic; Funaben 50; Jkatein; Preparation G 665; 2-(Methoxycarbamoyl)benzimidazole; A 118 (pesticide); 2-(Carbomethoxyamino)benzimidazole; Methyl 1H-benzimidazole-2-carbamate; methyl N-(1H-benzimidazol-2-yl)carbamate; Kolfugo 25 FW; Mercarzole; 2-(Methoxycarbonylamino)-benzimidazole; Methyl benzimidazolecarbamate; BAS 67054F; 1H-Benzimidazole-2-carbamic acid, methyl ester; 2-Benzimidazolecarbamic acid, methyl ester; Carbendazim [BSI:ISO]; BMK (VAN); Methyl N-2-benzimidazolecarbamate; 1H-Benzimidazol-2-ylcarbamic acid methyl ester; BAS-3460; CTR 6669; 2-(Methoxycarbonylamino)benzimidazole; Benzimidazole-2-carbamic acid, methyl ester; EK 578; HOE 17411; G 665; Zhiweiling; Bavistine; CCRIS 1553; Fungoxan; Jkstein; Lignasan; Protek; Sarfun; Subeej; 2-(Methoxy-carbonylamino)-benzimidazol; HSDB 6581; U 32104; Bavistin FL; Spin (pesticide); Karben flo Stefes; Karben Stefes Flo; Olgin (fungicide); BA 67054F; Bavistin 25SD; Bavistin 50SD; Delsene 10; Derosal 60PM; Kolfugo 25FW; UNII-H75J14AA89; 2-[(Methoxycarbonyl)amino]benzimidazole; Methyl 2-benzimidazolylcarbamate; BMK; BAS 3460F; Methyl 1H-benzimidazolylcarbamate; Benzimidazole carbamate de methyle; Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester; Methyl 1H-benzimidazol-2-ylcarbamate (9CI); IPO 1250; BAS-67054; 1H-Benzimidazol-2-ylcarbamic acid, methyl ester; U-32.104; CHEMBL70971; 2-Methyl benzimidazolecarbamate; MLS002701961; CHEBI:3392; 105268-95-9; A 118; 2-(Methoxy-carbonylamino)-benzimidazol [German]; Carbamic acid, 1H-benzimidazolyl-, methyl ester; H75J14AA89; 2-(Methoxycarboxamido)benzimidazole; BAS 3460; methyl N-(2-benzimidazolyl)carbamate; NSC-109874; 2-Bezimidazolecarbamic acid methyl ester; carbendazyme; mekarzole; DSSTox_CID_4729; DSSTox_RID_77513; 1H-Benzimidazol-2-yl-carbamic acid, methyl ester; DSSTox_GSID_24729; 37953-07-4; MBC (VAN); Carbendazime [ISO-French]; IPO-1250; Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester;Methyl 1H-benzo[d]imidazol-2-ylcarbamate; 162976-69-4; CAS-10605-21-7; methyl 2-benzimidazil carbamate; methyl-2-benzimidazole carbamate; methylbenzimidazole-2-ylcarbamate; 2-(Methoxy-carbonylamino)-benzimidazol (GERMAN); benzimidazolecarbamate methyl ester; BAS 3460 F; methoxybenzimidazole-2-carbamic acid; EINECS 234-232-0; methyl-N-(2-benzimidazolyl)carbamate; RCRA waste no. U372; EPA Pesticide Chemical Code 115001; EPA Pesticide Chemical Code 128872; NSC 109874; Derroprene; 2-benzimidazolecarbamic acid methyl ester; Carbate; Benzimidazole carbamate de methyle [French]; Carbendazim-d3; Carbendazol, JMAF; CTR-6669; Tripart defensor FL; N-benzimidazol-2-ylmethoxycarboxamide; Carbendazim, 97%; FB-642; Turfclear (Salt/Mix); BMC ; ChemDivAM_000201; ChemDiv1_000052; 1h-benzimidazole-2-carbamic acid methyl ester; SCHEMBL21051; BIDD:ER0282; Fenbendazole related compound a; Carbendazim, analytical standard; 2-carbomethoxyamino-benzimidazole; DTXSID4024729; methyl benzimidazole-2-carbamate; SCHEMBL19926051; HMS587C08; methyl 2-benzimidazolyl-carbamate; ZINC43475; BAS-67054F; KID PEST PROJECT (CARBENDAZIM) (SEE ALSO CARBENDAZIM); AMY22465; Tox21_202295; Tox21_300478; 2-(carbomethoxy-amino)-benzimidazole; BDBM50116313; EK-578; HOE-17411; Methyl 1H-2-benzimidazolecarbaminate; Methyl N-benzimidazol-2-yl-carbamate; MFCD00055390; NSC109874; AKOS002384358; CCG-101273; CS-8030; DB13009; KS-5360; MCULE-6012353785; 2-(Methoxy-carbonylamino)-benzimidazole; NCGC00090706-01; NCGC00090706-02; NCGC00090706-03; NCGC00090706-04; NCGC00254328-01; NCGC00259844-01; AC-10590; BP-21318; HY-13582; M143; NCI60_000240; SMR000304463; 1H-Benzimidazol-2-ylcarbamicacidmethylester; DB-040676; Methyl 1H-benzimidazol-2-ylcarbamate, 9CI; FT-0602933; FT-0664246; S3676; Carbendazim, PESTANAL(R), analytical standard; E78626; methyl N-(1H-1,3-benzodiazol-2-yl)carbamate; 605C217; A801368; AF-962/00515023; Q418607; SR-01000390861; (1H-Benzoimidazol-2-yl)-carbamic acid methyl ester; J-001536; SR-01000390861-1; Carbendazim, certified reference material, TraceCERT(R); F0266-0908; Fenbendazole impurity A, European Pharmacopoeia (EP) Reference Standard; Fenbendazole Related Compound A, United States Pharmacopeia (USP) Reference Standard; 102040-01-7; 110342-67-1; 212384-28-6; 39413-19-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109874	.	.	.	.	191.19	C9H9N3O2	67	222	1.5	14	2	3	2	"InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)"	COC(=O)NC1=NC2=CC=CC=C2N1	TWFZGCMQGLPBSX-UHFFFAOYSA-N
DG50368	Nitidine chloride	25659	"Nitidine chloride; 13063-04-2; Nitidine (chloride); 2,3-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-12-ium chloride; NSC146397; UNII-XO8WQL69T8; XO8WQL69T8; 13063-04-2 (CHLORIDE); (1,3)-BENZODIOXOLO(5,6-c)PHENANTHRIDINIUM, 2,3-DIMETHOXY-12-METHYL-, CHLORIDE; NSC 146397; 2,3-Dimethoxy-12-methyl-(1,3)-benzodioxolo(5,6-c)phenanthridinium chloride; NSC-146397; Nitidinechloride; 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;chloride; 2,3-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]-benzo[1,2-c]phenanthridin-12-ium chloride; Nitidine, chloride; angolinine; C21H18NO4.Cl; Nitidine-Chloride; Nitidine, chloride (8CI); CHEMBL8443; SCHEMBL420918; DTXSID50926842; HY-N0498; 5588AA; MFCD01659688; AKOS016003480; CCG-268448; AS-73875; DB-050205; CS-0009022; FT-0689357; V1519; A14701; A909300; Q-100120; Q-100770; WLN: T G6 D6 C665 EK SO UO THJ E1 IO1 JO1 &G; [1,6-c]phenanthridinium, 2,3-dimethoxy-12-methyl-, chloride; [1,3]Benzodioxolo[5,6-c]phenanthridinium, 2,3-dimethoxy-12-methyl-, chloride (1:1); 2,3-Dimethoxy-12-methyl-9H-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride; 16,17-DIMETHOXY-21-METHYL-5,7-DIOXA-21-AZAPENTACYCLO[11.8.0.0(2),(1) .0 , .0(1) ,(1) ]HENICOSA-1(13),2(10),3,8,11,14(19),15,17,20-NONAEN-21-IUM CHLORIDE; 2,3-Dimethoxy-12-methyl-[1,3]dioxolo[4\\',5\\':4,5]benzo[1,2-c]phenanthridin-12-ium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	146397	.	.	.	.	383.8	C21H18ClNO4	40.8	516	.	27	0	5	2	"InChI=1S/C21H18NO4.ClH/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1"	C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC.[Cl-]	QLDAACVSUMUMOR-UHFFFAOYSA-M
DG50369	"N'-(4-Methoxy-2-methylphenyl)-N,N-dimethylformamidine"	25767	"NSC665671; BRN 2718136; CHEMBL1969267; N'-(4-Methoxy-2-methylphenyl)-N,N-dimethylformamidine; N'-(4-Methoxy-2-methylphenyl)-N,N-dimethylimidoformamide; FORMAMIDINE, N,N-DIMETHYL-N'-(4-METHOXY-2-METHYLPHENYL)-; ZINC18120287; ZINC104307468; NSC-665671; NCI60_022658; N'-(4-methoxy-2-methyl-phenyl)-N,N-dimethyl-formamidine; 13181-70-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665671	.	.	.	.	192.26	C11H16N2O	24.8	192	2.2	14	0	2	3	"InChI=1S/C11H16N2O/c1-9-7-10(14-4)5-6-11(9)12-8-13(2)3/h5-8H,1-4H3"	CC1=C(C=CC(=C1)OC)N=CN(C)C	XRZYPUGVMKQLQP-UHFFFAOYSA-N
DG50370	Dimethyl 2-oxoglutarate	25775	"Dimethyl 2-oxoglutarate; 13192-04-6; Dimethyl 2-oxopentanedioate; Dimethyl 2-Ketoglutarate; Dimethyl 2-ketoglutaconate; 2-Ketoglutaric Acid Dimethyl Ester; Pentanedioic acid, 2-oxo-, dimethyl ester; 2-OXOPENTANEDIOIC ACID, DIMETHYL ETHER; MFCD00048052; Dimethyl2-oxoglutarate; dimethyl alpha-ketoglutarate; Dimethyl-alpha-ketoglutarate; 2-Oxoglutaric Acid Dimethyl Ester; 2-Oxo-pentanedioic acid dimethyl ester; Glutaric acid, 2-oxo-, dimethyl ester; SCHEMBL9543; Dimethyl 2-oxopentanedioate #; Dimethyl-.alpha.-ketoglutarate; Dimethyl 2-oxoglutarate, 96%; DTXSID10157251; CHEBI:173796; ACN-S003088; AMY20457; BCP24128; ZINC2019783; dimethyl 2-oxidanylidenepentanedioate; 2-oxopentanedioic acid dimethyl ester; 3992AJ; NSC783840; AKOS015851605; MCULE-4366685032; NSC-783840; SB32822; AS-47656; SY004319; DB-007425; CS-0103277; FT-0612735; K0013; F14954; Pentanedioic acid, 2-oxo-, 1,5-dimethyl ester; 192O046; A806333; J-006086; Q65707091"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783840	.	.	.	.	174.15	C7H10O5	69.7	196	-0.2	12	0	5	6	"InChI=1S/C7H10O5/c1-11-6(9)4-3-5(8)7(10)12-2/h3-4H2,1-2H3"	COC(=O)CCC(=O)C(=O)OC	TXIXSLPEABAEHP-UHFFFAOYSA-N
DG50371	Tributyllead chloride	25842	"Tributyllead chloride; Tributylchlorolead; Plumbane, chlorotributyl-; Plumbane, tributylchloro-; TRIBUTYL LEAD CHLORIDE; 13302-14-2; NSC168597; Lead, tributyl-, chloride; Tributylplumbium chloride; NSC 168597; Tributylchloroplumbane; NCIMech_000359; DTXSID30157910; WLN: G-PB-4&4&4; CCG-35913; NSC-168597; Plumbane, tributylchloro- (8CI)(9CI); NCI60_001342"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	168597	.	.	.	.	414	C12H27ClPb	0	104	.	14	0	0	9	"InChI=1S/3C4H9.ClH.Pb/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1"	CCCC[Pb](CCCC)(CCCC)Cl	OCQHDJVUUKFOFH-UHFFFAOYSA-M
DG50372	"1,3,5-Triazine-2,4-diamine, 1-(3,4-dichlorophenyl)-1,6-dihydro-6,6-dimethyl-"	25889	"13344-99-5; 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine; UNII-0624073F45; 1,3,5-Triazine-2,4-diamine, 1-(3,4-dichlorophenyl)-1,6-dihydro-6,6-dimethyl-; CHEMBL92583; NSC159729; 1-(3,4-Dichlorophenyl)-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine; s-Triazine, 4,6-diamino-1-(3,4-dichlorophenyl)-1,2-dihydro-2,2-dimethyl-; 0624073F45; 5-(3,4-Dichlorophenyl)-6,6-dimethyl-5,6-dihydro-1,3,5-triazine-2,4-diamine; NSC3077; D 54; X 69; NSC 3077; NSC 3877; NSC 159729; SCHEMBL8986158; DTXSID00158111; ZINC1666573; BDBM50090069; NSC-159729; DS-008271; Q27236160; 1-(3,4-Dichloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine; GFE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3077	.	.	.	.	286.16	C11H13Cl2N5	80	393	1.7	18	2	1	1	"InChI=1S/C11H13Cl2N5/c1-11(2)17-9(14)16-10(15)18(11)6-3-4-7(12)8(13)5-6/h3-5H,1-2H3,(H4,14,15,16,17)"	CC1(N=C(N=C(N1C2=CC(=C(C=C2)Cl)Cl)N)N)C	FPULLBVUFHTKQQ-UHFFFAOYSA-N
DG50373	"ACRIDINE, 9-(p-DIMETHYLAMINOANILINO)-"	25926	"WIN 1701; 9-(p-Dimethylaminoanilino)acridine; NSC 13002; ACRIDINE, 9-(p-DIMETHYLAMINOANILINO)-; 13365-38-3; 9-((p-(Dimethylamino)phenyl)amino)acridine; Acridine, 9-((p-(dimethylamino)phenyl)amino)-; N'-9-Acridinyl-N,N-dimethyl-1,4-benzenediamine; UNII-T97FI0JKU3; T97FI0JKU3; NSC-13002; Acridine, 9-[[p-(dimethylamino)phenyl]amino]-; BRN 0487364; 1,4-Benzenediamine, N'-9-acridinyl-N,N-dimethyl-; CHEMBL34941; N'-(acridin-9-yl)-N,N-dimethylbenzene-1,4-diamine; SCHEMBL3347553; 1-N-acridin-9-yl-4-N,4-N-dimethylbenzene-1,4-diamine; DTXSID00158292; NSC13002; ZINC4151259; 1, N'-9-acridinyl-N,N-dimethyl-; STL088556; AKOS001695772; MCULE-9110094592; WLN: T C666 BNJ IMR DN1&1; Acridine, 9-[p-(dimethylamino)anilino]-; DS-006079; SJ000039582; N'-acridin-9-yl-N,N-dimethylbenzene-1,4-diamine; N4-9-Acridinyl-N1,N1-dimethyl-1,4-benzenediamine; N-Acridin-9-yl-N',N'-dimethyl-benzene-1,4-diamine; Acridine, 9-((p-(dimethylamino)phenyl)amino)- (8CI); 1,4-Benzenediamine, N'-9-acridinyl-N,N-dimethyl- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13002	.	.	.	.	313.4	C21H19N3	28.2	380	5.2	24	1	3	3	"InChI=1S/C21H19N3/c1-24(2)16-13-11-15(12-14-16)22-21-17-7-3-5-9-19(17)23-20-10-6-4-8-18(20)21/h3-14H,1-2H3,(H,22,23)"	CN(C)C1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42	WBERNRVMJQYKKR-UHFFFAOYSA-N
DG50374	"1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidyl)-1-nitrosourea"	26328	"PCNU; 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidyl)-1-nitrosourea; NSC-95,466; 13909-02-9; NSC-95466; N-(2-Chloroethyl)-N'-(2,6-dioxo-3-piperidinyl)-N-nitrosourea; Urea, 1-(2-chloroethyl)-3-(2,6-dioxo-3-piperidyl)-1-nitroso-; 1-(2-chloroethyl)-3-(2,6-dioxopiperidin-3-yl)-1-nitrosourea; Urea, N-(2-chloroethyl)-N'-(2,6-dioxo-3-piperidinyl)-N-nitroso-; NSC95466; 1-(2-Chloroethyl)3-(2,6-dioxo-3-piperidyl)-1-nitrosourea; NSC 95466; BRN 0431046; AI3-52898; CHEMBL12200; SCHEMBL845062; Urea,6-dioxo-3-piperidyl)-1-nitroso-; Urea,6-dioxo-3-piperidinyl)-N-nitroso-; NCI60_042124; Q27274209; 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea; 1-(2-chloroethyl)-3-(2,6-dioxo-3-piperidyl)-1-nitroso-urea; Urea, N-(2-chloroethyl)-N'-(2, 6-dioxo-3-piperidinyl)-N-nitroso-; 3-(((1-(2-Chloroethyl)-2-oxohydrazino)carbonyl)amino)-2,6-piperidinedione; Urea, N-(2-chloroethyl)-N'-(2,6-dioxo-3-piperidinyl)-N-nitroso- (9CI); 3-(([1-(2-Chloroethyl)-2-oxohydrazino]carbonyl)amino)-2,6-piperidinedione #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95466	.	.	.	.	262.65	C8H11ClN4O4	108	348	0.4	17	2	5	3	"InChI=1S/C8H11ClN4O4/c9-3-4-13(12-17)8(16)10-5-1-2-6(14)11-7(5)15/h5H,1-4H2,(H,10,16)(H,11,14,15)"	C1CC(=O)NC(=O)C1NC(=O)N(CCCl)N=O	KHWIRCOLWPNBJP-UHFFFAOYSA-N
DG50375	"2,4-Pyrimidinediamine, 5-(1,3-benzodioxol-5-ylmethyl)-"	26341	"2,4-Pyrimidinediamine, 5-(1,3-benzodioxol-5-ylmethyl)-; 13932-40-6; 2,4-DIAMINO-5-PIPERONYLPYRIMIDINE; UNII-TXE988T82W; CHEMBL56129; 5-(1,3-Benzodioxol-5-ylmethyl)-2,4-pyrimidinediamine; TXE988T82W; 5-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4-diamine; Pyrimidine, 2,4-diamino-5-piperonyl-; 2,4-Diamino-5-(3,4-methylenedioxybenzyl)pyrimidine; NSC129409; SCHEMBL10488901; ZINC10465; DTXSID10161010; BDBM50405974; AKOS016368593; MCULE-4739268684; NSC 129409; NSC-129409; 2, 5-(1,3-benzodioxol-5-ylmethyl)-; NCI60_000663; WR-40070; Q27290475; 5-(1,3-Benzodioxol-5-ylmethyl)-2,4-pyrimidinediamine #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129409	.	.	.	.	244.25	C12H12N4O2	96.3	291	1.5	18	2	6	2	"InChI=1S/C12H12N4O2/c13-11-8(5-15-12(14)16-11)3-7-1-2-9-10(4-7)18-6-17-9/h1-2,4-5H,3,6H2,(H4,13,14,15,16)"	C1OC2=C(O1)C=C(C=C2)CC3=CN=C(N=C3N)N	YBIRDHJXPIORJB-UHFFFAOYSA-N
DG50376	Parbendazole	26596	"Parbendazole; 14255-87-9; Helmatac; Methyl (5-butyl-1H-benzo[d]imidazol-2-yl)carbamate; Worm Guard; Verminum; SKF 29044; Helatac; PBDZ; SK&F 29044; UNII-N4X8WVX2UG; Carbamic acid, (5-butyl-1H-benzimidazol-2-yl)-, methyl ester; METHYL 5-BUTYL-2-BENZIMIDAZOLECARBAMATE; methyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate; Parbendazole free base; 5-Butyl-2-(carbomethoxyamino)benzimidazole; TCMDC-131798; N4X8WVX2UG; 5-Butyl-2-benzimidazolecarbamic acid methyl ester; 14255-87-9 (free base); NSC-256420; NCGC00016706-01; Parbendazol; CAS-14255-87-9; Methyl (5-butyl-1H-benzimidazol-2-yl)carbamate; DSSTox_CID_25410; DSSTox_RID_80861; DSSTox_GSID_45410; Methyl 5-butyl-1H-benzo[d]imidazol-2-ylcarbamate; methyl ~{N}-(5-butyl-1~{H}-benzimidazol-2-yl)carbamate; Parbendazolum; N-(6-Butyl-1H-benzimidazol-2-yl)carbamic Acid Methyl Ester; Parbendazol [INN-Spanish]; Parbendazolum [INN-Latin]; EINECS 238-133-3; SKF-29044; Parbendazole [USAN:INN:BAN]; 2-Benzimidazolecarbamic acid, 5-butyl-, methyl ester; (4-Butyl-1H-benzimidazol-2-yl)-carbamic acid methyl ester; N-(Butyl-5, benzimidazolyl)-2, carbamate de methyle [French]; Methyl 5(6)-butyl-2-benzimidazolecarbamate; Prestwick0_001110; Prestwick1_001110; Prestwick2_001110; Prestwick3_001110; Parbendazole (USAN/INN); BSPBio_001220; SCHEMBL259455; SPBio_003090; BPBio1_001342; CHEMBL528271; N-(Butyl-5, benzimidazolyl)-2, carbamate de methyle; DTXSID0045410; CHEBI:94267; HMS1571M22; HMS2098M22; HMS3715M22; AMY13606; ZINC5424253; Tox21_110571; MFCD00864534; NSC256420; s2444; WLN: T56 BM DNJ CMVO1 G4; AKOS015898352; AKOS015967508; Tox21_110571_1; 2H-Benzimidazole, carbamic acid deriv.; AC-1936; CCG-221110; NSC 256420; Methyl 5-butylbenzimidazole-2-carbamate; NCGC00016706-02; NCGC00016706-03; NCGC00016706-04; NCGC00016706-05; NCGC00016706-07; AS-68370; 2-carbomethoxyamino-5-n-butylbenzimidazole; HY-115364; AB00514054; CS-0035171; FT-0630413; methyl 5-butyl-1H-benzimidazol-2-ylcarbamate; D05365; F18423; Parbendazole, VETRANAL(TM), analytical standard; 255P879; A885179; methyl N-(5-butyl-1H-benzimidazol-2-yl)carbamate; SR-01000872691; (5-Butyl-2-benzimidazole)carbamic acid methyl ester; Methyl (6-butyl-1H-benzo[d]imidazol-2-yl)carbamate; SR-01000872691-1; 4-(tert-Butoxycarbonyl)thiomorpholine-3-carboxylicacid; BRD-K02407574-001-03-0; BRD-K02407574-001-04-8; BRD-K02407574-001-06-3; Q27166068; METHYL N-(5-BUTYL-1H-1,3-BENZODIAZOL-2-YL)CARBAMATE; Parbendazole, United States Pharmacopeia (USP) Reference Standard; CARBAMIC ACID, N-(6-BUTYL-1H-BENZIMIDAZOL-2-YL)-, METHYL ESTER; H1C"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	256420	.	.	.	.	247.29	C13H17N3O2	67	285	3.4	18	2	3	5	"InChI=1S/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17)"	CCCCC1=CC2=C(C=C1)N=C(N2)NC(=O)OC	YRWLZFXJFBZBEY-UHFFFAOYSA-N
DG50377	Menoctone	26738	"MENOCTONE; 14561-42-3; Win 11,530; Win 11530; UNII-QP1A5BD6K9; 2-(8-Cyclohexyloctyl)-3-hydroxy-1,4-naphthoquinone; NSC 103336; QP1A5BD6K9; 3-(8-cyclohexyloctyl)-4-hydroxynaphthalene-1,2-dione; NSC103336; NSC-103336; 1,4-Naphthalenedione, 2-(8-cyclohexyloctyl)-3-hydroxy-; Menoctonum; Menoctona; Menottone; Menottone [DCIT]; Menoctone [USAN:INN]; Menoctonum [INN-Latin]; Menoctona [INN-Spanish]; Menoctone (USAN/INN); SCHEMBL538450; 2-(8-cyclohexyloctyl)-3-hydroxynaphthalene-1,4-dione; 1,4-Naphthoquinone, 2-(8-cyclohexyloctyl)-3-hydroxy-; CHEMBL1999063; DTXSID60932651; ZINC4216843; WIN-11530; 1, 2-(8-cyclohexyloctyl)-3-hydroxy-; NCI60_000087; WR-49808; D04912; 2-(8-Cyclohexyloctyl)-3-hydroxynaphthoquinone #; 3-[8-Cyclohexyloctyl]-2-hydroxy-1,4-naphthaquinone; Q27287405; 2-(8-cyclohexyloctyl)-3-hydroxy-naphthalene-1,4-dione; 1,4-Naphthoquinone, 2-(8-cyclohexyloctyl)-3-hydroxy- (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	103336	.	.	.	.	368.5	C24H32O3	54.4	542	7.7	27	1	3	9	"InChI=1S/C24H32O3/c25-22-19-15-10-11-16-20(19)23(26)24(27)21(22)17-9-4-2-1-3-6-12-18-13-7-5-8-14-18/h10-11,15-16,18,25H,1-9,12-14,17H2"	C1CCC(CC1)CCCCCCCCC2=C(C3=CC=CC=C3C(=O)C2=O)O	JJMFNXJCDGGBEV-UHFFFAOYSA-N
DG50378	N-Formyldemecolcine	26819	"N-Formyldemecolcine; 14686-61-4; COLCHICINE, N-DEACETYL-N-FORMYL-N-METHYL-; CHEBI:80675; N-Formyldemeocolcine; NSC 315260; BRN 3179104; NSC315260; Formamide, N-methyl-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-,; CHEMBL315193; DTXSID00163528; NSC-315260; N-methyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide; NCI60_002713; N-DEACETYL-N-FORMYL-N-METHYLCOLCHICINE; Q27149717; Formamide,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	315260	.	.	.	.	399.4	C22H25NO6	74.3	727	1.3	29	0	6	5	"InChI=1S/C22H25NO6/c1-23(12-24)16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-12,16H,6,8H2,1-5H3/t16-/m0/s1"	CN(C=O)[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC	HTWMEJLBEVTMMZ-INIZCTEOSA-N
DG50379	7-Methyljuglone	26905	"7-Methyljuglone; Ramentaceone; 14787-38-3; 5-hydroxy-7-methylnaphthalene-1,4-dione; 7-Methyljuglon; JUGLONE, 7-METHYL-; 5-Hydroxy-7-methyl-1,4-naphthoquinone; NSC208733; CHEBI:8773; CHEMBL430853; NSC624625; 5-hydroxy-7-methyl-naphthalene-1,4-dione; Ramentaceone (6CI); 5-Hydroxy-7-methyl-1,4-naphthalenedione; NSC 208733; NSC 624625; BRN 2047829; 1,4-Naphthalenedione, 5-hydroxy-7-methyl-; 7-Methyl juglon; 1,4-NAPHTHOQUINONE, 5-HYDROXY-7-METHYL-; 5-Hydroxy-7-methyl-2,3-dihydronaphthal-ene-1,4-dione; 1, 5-hydroxy-7-methyl-; 4-08-00-02374 (Beilstein Handbook Reference); 1,4-Naphthalenedione, 5-hydroxy-7-methyl- (9CI); SCHEMBL5904880; DTXSID80163824; ZINC899749; BDBM50107009; AKOS006278204; NSC-208733; NSC-624625; 5-Hydroxy-7-methyl-[1,4]naphthoquinone; 5-Hydroxy-7-methyll-,1,4-naphtoquinone; NCI60_001745; NCI60_007460; DB-063738; FT-0728797; 5-hydroxy-7-methyl-1,4-dihydronaphthalene-1,4-dione; Q27108145; N-(3,4-Diethyloxy)phenylethyl-3,4-diethyloxyphenylacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	208733	.	.	.	.	188.18	C11H8O3	54.4	306	2.3	14	1	3	0	"InChI=1S/C11H8O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h2-5,14H,1H3"	CC1=CC2=C(C(=O)C=CC2=O)C(=C1)O	OZUSCVSONBBWOR-UHFFFAOYSA-N
DG50380	"1-(2,6-Dichlorophenyl)-2-indolinone"	27211	"1-(2,6-Dichlorophenyl)-2-indolinone; 15362-40-0; 1-(2,6-Dichlorophenyl)indolin-2-one; Diclofenac Amide; 1-(2,6-dichlorophenyl)-3H-indol-2-one; 1-(2,6-Dichlorophenyl)-1,3-dihydro-2H-indol-2-one; UNII-CL5Y02756K; 1,3-Dihydro-1-(2,6-dichlorophenyl)-2H-indol-2-one; 2H-Indol-2-one, 1-(2,6-dichlorophenyl)-1,3-dihydro-; CL5Y02756K; N-(2,6-Dichlorophenyl)-2-indolinone; 2H-INDOL-2-ONE, 1,3-DIHYDRO-1-(2,6-DICHLOROPHENYL)-; F1236-0045; EINECS 239-399-3; ChemDiv3_002423; BRN 1538309; 1-(2,6-Dichlorophenyl)oxindole; Diclofenac artifact; MFCD00451393; N-(2,6-dichlorophenyl)indolin-2-one; 1-(2,6-Dichlorophenyl)-2-oxoindoline; DSSTox_CID_26979; DSSTox_RID_82034; DSSTox_GSID_46979; Diclofenac related compound A; MLS000527383; 1-(2,6-Dichloro-phenyl)-1,3-dihydro-indol-2-one; CHEMBL487716; SCHEMBL2982634; DTXSID6046979; HMS1479O03; HMS2295G12; ZINC170657; BCP24489; Tox21_301756; AC-327; NSC621845; STK709153; AKOS000530778; CCG-272701; MCULE-9085533788; NSC-621845; SB64040; UPCMLD0ENAT5559022:001; NCGC00245217-01; NCGC00256032-01; AS-12117; NCI60_006351; SMR000117857; Diclofenac Lactam (Diclofenac Impurity A); CAS-15362-40-0; DB-043195; AM20060811; CS-0144094; D4260; FT-0627229; 1-[2,6-bis(chloranyl)phenyl]-3H-indol-2-one; 1-(2,6-dichlorophenyl)-2-indolinone, AldrichCPR; 307D865; A809449; SR-01000457522; J-009036; SR-01000457522-1; BRD-K18569286-001-01-2; Q27275517; 1-(2,6-Dichlorophenyl)-1,3-dihydro-2H-indol-2-one #; N-(2,6-Dichlorophenyl)-2-indolinone, analytical standard; Aceclofenac impurity I, European Pharmacopoeia (EP) Reference Standard; Diclofenac impurity A, European Pharmacopoeia (EP) Reference Standard; Diclofenac related compound A, United States Pharmacopeia (USP) Reference Standard; N-(2,6-Dichlorophenyl)-2-indolinone, British Pharmacopoeia (BP) Reference Standard; Voltindole (Aceclofenac EP Impurity I, Diclofenac EP Impurity A, Diclofenac Amide)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621845	.	.	.	.	278.1	C14H9Cl2NO	20.3	326	3.8	18	0	1	1	"InChI=1S/C14H9Cl2NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(17)18/h1-7H,8H2"	C1C2=CC=CC=C2N(C1=O)C3=C(C=CC=C3Cl)Cl	JCICIFOYVSPMHG-UHFFFAOYSA-N
DG50381	Dedihydromitomycin B	27590	"Dedihydromitomycin B; Mitomycin B, dedihydro-; 15973-07-6; 7-Methoxy-1,2-(N-methylaziridino)mitosene; NSC123111; NSC-123111; (11-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),7,11-trien-8-yl)methyl carbamate; Mitomycin derivative T 53; BRN 0768241; Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8b-tetrahydro-1,5-dimethyl-8-(hydroxymethyl)-6-methoxy-, carbamate; MITOMYCIN DERIV T-53; CHEMBL299564; DTXSID70936165; Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8b-tetrahydro-6-methoxy-1,5-dimethyl-, (1aS-cis)-; NCI60_000545; T 53; (6-Methoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate; (6-Methoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate #; (6-Methoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl hydrogen carbonimidate; 16033-17-3; 8-(Aminocarbonyloxymethyl)-1,1a,2,8b-tetrahydro-6-methoxy-1,5-dimethylazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione; Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 1,1a,2,8b-tetrahydro-8-(hydroxymethyl)-6-methoxy-1,5-dimethyl-, carbamate (ester); Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8b-tetrahydro-6-methoxy-1,5-dimethyl-; Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8b-tetrahydro-6-methoxy-1,5-dimethyl-, (1aS,8bS)-; Azirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 1,1a,2,8b-tetrahydro-8-(hydroxymethyl)-6-methoxy-1,5-dimethyl-, carbamate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123111	.	.	.	.	331.32	C16H17N3O5	104	675	1.2	24	1	6	4	"InChI=1S/C16H17N3O5/c1-6-13(20)12-9(14(21)15(6)23-3)7(5-24-16(17)22)10-11-8(18(11)2)4-19(10)12/h8,11H,4-5H2,1-3H3,(H2,17,22)"	CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3=C2COC(=O)N)N4C)OC	FSJQMPDKDHPEJH-UHFFFAOYSA-N
DG50382	Calusterone	28204	"CALUSTERONE; Methosarb; Dimethyltestosterone; 17021-26-0; 7-beta,17-Dimethyltestosterone; Calusterona; Calusteronum; 7beta,17alpha-Dimethyltestosterone; 7beta,17-Dimethyltestosterone; 7-beta,17-alpha-Dimethyl testosterone; NSC-88536; 17-beta-Hydroxy-7-beta,17-alpha-dimethylandrost-4-ene-3-one; U-22,550; UNII-0678G6Q58A; 17beta-Hydroxy-7beta,17-dimethylandrost-4-en-3-one; 17beta-Hydroxy-7beta,17alpha-dimethylandrost-4-ene-3-one; U 22550; Calusteron; 0678G6Q58A; CLS; U-22550; Calusteronum [INN-Latin]; Calusterona [INN-Spanish]; Calusterone [USAN:INN]; HSDB 3210; 7.beta.,17-Dimethyltestosterone; BRN 3212336; Androst-4-en-3-one,17-dimethyl-; 7.beta.,17.alpha.-Dimethyltestosterone; 17-Hydroxy-7,17-dimethylandrost-4-en-3-one; Androst-4-en-3-one, 17beta-hydroxy-7beta,17-dimethyl-; Androst-4-en-3-one, 17-beta-hydroxy-7-beta,17-dimethyl-; Androst-4-en-3-one, 7beta,17alpha-dimethyl-17beta-hydroxy-; Androst-4-en-3-one, 17-hydroxy-7,17-dimethyl-, (7beta,17beta)-; 7beta-Dimethyltestosterone; Calusterone (USAN/INN); SCHEMBL4509; 17.beta.-Hydroxy-7.beta.,17-dimethylandrost-4-en-3-one; 4-Androsten-7-beta, 17-alpha-dimethyl-17-beta-ol-3-one; 17beta-Dimethyl testosterone; 4-08-00-01029 (Beilstein Handbook Reference); 17.beta.-Hydroxy-7.beta.,17.alpha.-dimethylandrost-4-ene-3-one; CHEMBL455706; 17-beta-hydroxy-7-beta-17-dimethyl androst-4-en-3-one; DTXSID0022723; 7beta,17beta-Dimethyltestosterone; CHEBI:135356; 7-.beta.-17-dimethyltestosterone; Androst-4-en-3-one, 7-beta,17-alpha-dimethyl-17-beta-hydroxy-; NSC88536; ZINC4215173; 7-beta-17-alpha-dimethyltestosterone; DB01564; (7S,8R,9S,10R,13S,14S,17S)-17-hydroxy-7,10,13,17-tetramethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; 7.beta.,17.alpha.-Dimethyl testosterone; 7-.beta.-17-.alpha.-dimethyltestosterone; D03338; 17b-Hydroxy-7b,17-dimethylandrost-4-en-3-one; 17b-hydroxy-7b,17-dimethyl-Androst-4-en-3-one; 17-dimethyl-17beta-hydroxy-7beta-Androst-4-en-3-one; 17beta-Hydroxy-7beta-17-dimethylandrost-4-en-3-one; 4-Androsten-7beta,17alpha-dimethyl-17beta-ol-3-one; Q14201166; WLN: L E5 B666 OV MUTJ A1 E1 FQ F1 K1; 7beta,17alpha-Dimethyl-17betahydroxyandrost-4-en-3-one; (7b,17b)-17-hydroxy-7,17-dimethyl-Androst-4-en-3-one; 17beta-Hydroxy-7beta-17alpha-dimethylandrost-4-ene-3-one; Androst-4-en-3-one,17-dimethyl-, (7.beta.,17.beta.)-; Androst-4-en-3-one,17.alpha.-dimethyl-17.beta.-hydroxy-; 17-.beta.-hydroxy-7-.beta.-17-dimethyl androst-4-en-3-one; 17-beta-hydroxy-7-beta-17-dimethyl androst-4-en-3-one (9CI); (7beta,8xi,17beta)-17-hydroxy-7,17-dimethylandrost-4-en-3-one; Androst-4-en-3-one, 17beta-hydroxy-7beta,17-dimethyl- (8CI); Androst-4-en-3-one, 17-hydroxy-7,17-dimethyl-, (7-beta,17-beta)- (9CI); (1S,2R,9S,10R,11S,14S,15S)-14-hydroxy-2,9,14,15-tetramethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88536	.	.	.	.	316.5	C21H32O2	37.3	578	3.6	23	1	2	0	"InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16-,17-,18+,19-,20-,21-/m0/s1"	C[C@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C)O)C	IVFYLRMMHVYGJH-PVPPCFLZSA-N
DG50383	N-(4-bromophenyl)-2-iodoacetamide	28665	"N-(4-bromophenyl)-2-iodoacetamide; 17641-04-2; 4'-Bromo-2-iodoacetanilide; ACETANILIDE, 4'-BROMO-2-IODO-; UNII-PHR8V58CAZ; PHR8V58CAZ; NSC 151224; Acetamide, N-(4-bromophenyl)-2-iodo-; BRN 2832521; NSC151224; WLN: I1VMR DE; SCHEMBL5597893; DTXSID10170127; ZINC1761855; ACETANILIDE,4-BROMO-2-IODO-; AKOS014116754; MCULE-2938726611; NSC-151224; Acetamide, N-(4-bromophenyl)-2-iodo- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	151224	.	.	.	.	339.96	C8H7BrINO	29.1	157	3	12	1	1	2	"InChI=1S/C8H7BrINO/c9-6-1-3-7(4-2-6)11-8(12)5-10/h1-4H,5H2,(H,11,12)"	C1=CC(=CC=C1NC(=O)CI)Br	KZEZEXWEHMUXPI-UHFFFAOYSA-N
DG50384	3-Quinuclidyl diphenylcarbamate	28676	"NSC665783; 17656-14-3; 3-Quinuclidyl diphenylcarbamate; BRN 1493701; CARBAMIC ACID, DIPHENYL-, 3-QUINUCLIDINYL ESTER; SCHEMBL4083767; CHEMBL1988383; DTXSID90938808; NSC-665783; quinuclidin-3-yl N,N-diphenylcarbamate; NCI60_022766; N,N-Diphenylcarbamic acid 3-quinuclidinyl ester; 1-Azabicyclo[2.2.2]oct-3-yl diphenylcarbamate; 1-Azabicyclo[2.2.2]octan-3-yl diphenylcarbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665783	.	.	.	.	322.4	C20H22N2O2	32.8	403	3.9	24	0	3	4	"InChI=1S/C20H22N2O2/c23-20(24-19-15-21-13-11-16(19)12-14-21)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19H,11-15H2"	C1CN2CCC1C(C2)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4	IJIHPPHWXPHTRG-UHFFFAOYSA-N
DG50385	Mitoclomine	28694	"Mitoclomine; 17692-54-5; NSC-114575; NSC 114575; WBA 7707; UNII-02DQX562CR; 02DQX562CR; N,N-bis(2-Chloroethyl)-4-methoxy-3-methyl-1-naphthylamine; N,N-bis(2-chloroethyl)-4-methoxy-3-methylnaphthalen-1-amine; 1-Naphthalenamine, N,N-bis(2-chloroethyl)-4-methoxy-3-methyl- (9CI); Mitoclomina; Mitoclominum; Mitoclomine [INN:BAN]; Mitoclominum [INN-Latin]; Mitoclomina [INN-Spanish]; EINECS 241-687-9; BRN 2943587; N,N-Di-(2-chloroethyl)-4-methoxy-3-methyl-1-naphthylamine; 1-NAPHTHYLAMINE, N,N-BIS(2-CHLOROETHYL)-4-METHOXY-3-METHYL-; SCHEMBL2109906; ZINC1737; CHEMBL2106926; DTXSID30170220; NSC114575; Q27231519; 1-Naphthylamine,N-bis(2-chloroethyl)-4-methoxy-3-methyl-; 1-Naphthalenamine,N-bis(2-chloroethyl)-4-methoxy-3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114575	.	.	.	.	312.2	C16H19Cl2NO	12.5	284	4.8	20	0	2	6	"InChI=1S/C16H19Cl2NO/c1-12-11-15(19(9-7-17)10-8-18)13-5-3-4-6-14(13)16(12)20-2/h3-6,11H,7-10H2,1-2H3"	CC1=C(C2=CC=CC=C2C(=C1)N(CCCl)CCCl)OC	CLZXREZAEIUCGG-UHFFFAOYSA-N
DG50386	Etoprine	29142	"ETOPRINE; Ethodichlorophen; 18588-57-3; Etoprine [USAN]; UNII-406PGU9KGI; 2,4-Diamino-5-(3,4-dichlorophenyl)-6-ethylpyrimidine; 2,4-Pyrimidinediamine, 5-(3,4-dichlorophenyl)-6-ethyl-; 406PGU9KGI; CHEMBL21799; NSC3062; Etoprine (USAN); NSC-3062; DDEP; Ethodichlorophen; NSC 3062; 5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine; NSC 3062; BRN 0244129; AI3-25008; Pyrimidine, 2,4-diamino-5-(3,4-dichlorophenyl)-6-ethyl-; SCHEMBL3919; 5-25-12-00256 (Beilstein Handbook Reference); ZINC1409; BDBM18783; 2,4-Diamino-5-(3',4'-dichlorophenyl)-6-ethylpyrimidine; DTXSID20171807; 2,4-dichlorophenyl)-6-ethylpyrimidine; 2, 5-(3,4-dichlorophenyl)-6-ethyl-; NCI60_002606; D04108; Q27258296; 5-(3,4-Dichlorophenyl)-6-ethyl-2,4-pyrimidinediamine; 5-(3,4-dichlorophenyl)-6-ethyl-pyrimidine-2,4-diamine; Pyrimidine,4-diamino-5-(3,4-dichlorophenyl)-6-ethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3062	.	.	.	.	283.15	C12H12Cl2N4	77.8	279	3.1	18	2	4	2	"InChI=1S/C12H12Cl2N4/c1-2-9-10(11(15)18-12(16)17-9)6-3-4-7(13)8(14)5-6/h3-5H,2H2,1H3,(H4,15,16,17,18)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)Cl	PXLPCZJACKUXGP-UHFFFAOYSA-N
DG50387	Methasquin	29335	"Methasquin; NSC122870; CHEMBL154418; NSC-122870; L-Aspartic acid, N-[4-[[(2,4-diamino-5-methyl-6-quinazolinyl)methyl]-; L-Aspartic acid,4-diamino-5-methyl-6-quinazolinyl)methyl]amino] benzoyl]-,; 2-[[4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid; Aspartic acid,4-diamino-5-methyl-6-quinazolinyl)methyl]amino] benzoyl]-, L-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	122870	.	.	.	.	438.4	C21H22N6O5	194	686	1	32	6	10	8	"InChI=1S/C21H22N6O5/c1-10-12(4-7-14-17(10)18(22)27-21(23)26-14)9-24-13-5-2-11(3-6-13)19(30)25-15(20(31)32)8-16(28)29/h2-7,15,24H,8-9H2,1H3,(H,25,30)(H,28,29)(H,31,32)(H4,22,23,26,27)"	CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC=C(C=C3)C(=O)NC(CC(=O)O)C(=O)O	NTKNUVXCGJPJQP-UHFFFAOYSA-N
DG50388	NSC650471	30100	"NSC650471; SCHEMBL868548; 3a,11,11a-Trihydroxy-9,15a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)icosahydro-7aH,13aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxine-13a-carbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650471	.	.	.	.	532.6	C29H40O9	132	1060	0.9	38	3	9	2	"InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3"	CC1CC(C2(C(O1)OC3CC4CCC5C(C4(CC3O2)C=O)CCC6(C5(CCC6C7=CC(=O)OC7)O)C)O)O	OWPWFVVPBYFKBG-UHFFFAOYSA-N
DG50389	Razoxane	30623	"Razoxane; 21416-67-1; Razoxin; 4,4'-(Propane-1,2-diyl)bis(piperazine-2,6-dione); 4,4'-Propylenebis(piperazine-2,6-dione); ICRF-159; Razoxana; Razoxanum; ICRF 159; 21416-87-5; 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione; NSC129943; NSC 129943; NSC-129943; ICI 59118; 4,4'-Propylenebis(2,6-piperazinedione); MLS002920046; 2,6-Piperazinedione, 4,4'-(1-methyl-1,2-ethanediyl)bis-; Tepirone; Troxozone; CHEBI:50225; 4,4'-propane-1,2-diyldipiperazine-2,6-dione; Razoxanum [INN-Latin]; Razoxana [INN-Spanish]; Desrazoxane; (+)-dexrazoxane; NSC 169780; dyzoxane; Eucardion; CCRIS 344; Cardioxane (TN); NCI-C01627; NCGC00164737-01; Razoxane (INN); EINECS 244-379-2; (+)-Razoxane; Propylenediazmintetraessigsaeure-diimid; (+)-Razoxin; BRN 0821182; Razoxane [INN:BAN]; 2,6-Piperazinedione, 4,4'-propylenedi-; 2,6-Piperazinedione, 4,4'-propylenedi-, (+)-; 1,2-Bis(3,5-dioxo-1-piperazinyl)propane; AI3-52845; DSSTox_CID_733; 2, 4,4'-propylenedi-; SCHEMBL9089; DSSTox_RID_75760; (+-)-1,2-Bis(3,5-dioxopiperazin-1-yl)propane; DSSTox_GSID_20733; (+,-)-1,2-Bis(3,5-dioxopiperazine-1-yl)propane; Razoxane, >98% (HPLC); 2,6-Piperazinedione, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (+)-; 2,6-Piperazinedione, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (S)-; CHEMBL444186; DTXSID0020733; HMS3745O07; BCP17033; (+-)-1,5-dioxopiperazinyl)propane; Tox21_200258; ICI-59118; MFCD00430424; 2, 4,4'-propylenedi-, (+-)-; AKOS015837545; (.+-.)-1,5-dioxopiperazinyl)propane; AC-1422; NCGC00164737-02; NCGC00164737-03; NCGC00164737-04; NCGC00164737-05; NCGC00164737-06; NCGC00164737-07; NCGC00257812-01; 2, 4,4'-propylenedi-, (.+-.)-; AS-67684; NCI60_000672; SMR001797645; 1,2-bis(3,5-dioxopiperazin-1-yl)propane; CAS-21416-67-1; Propane,2-bis(3,5-dioxopiperazin-1-yl)-; (+-)-4.4'-Propylenedi-2,6-piperazindion; 1,2-bis(3,5-dioxopiperazin-1-yl)-propane; AM20090190; FT-0651500; FT-0653845; W4448; (+/-)-4,4'-Propylenedi-2,6-piperazinedione; C74037; D08471; (+)-1,2-Bis(3,5-dioxopiperazin-1-yl)propane; 4,4'-(propane-1,2-diyl)dipiperazine-2,6-dione; J-014040; Q3930720; (+-)-(3,3',5'-Tetraoxo)-1,2-dipiperazinopropane; .+-.-(3,3',5'-Tetraoxo)-1,2-dipiperazinopropane; 2, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (+-)-; 2, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (.+-.)-; 4,4`-(PROPANE-1,2-DIYL)BIS(PIPERAZINE-2,6-DIONE); 2,6-PIPERAZINEDIONE,4,4-(1-METHYL-1,2-ETHANEDIYL)BIS-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129943	.	.	.	.	268.27	C11H16N4O4	98.8	404	-1.4	19	2	6	3	"InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)"	CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2	BMKDZUISNHGIBY-UHFFFAOYSA-N
DG50390	Ethyl-cysteine	30993	ETHYL-CYSTEINE; NSC49244; 2-amino-3-ethylsulfanylpropanoic acid; NSC-49244; 2-amino-3-(ethylthio)propanoic acid; S-Ethyl-DL-cysteine; SCHEMBL685448; CHEMBL1978461; AKOS000168838; 2-amino-3-ethylsulfanyl-propanoic acid; NCI60_004182; FT-0693921	.	.	Investigative Drug(s)	Investigative	Small molecular drug	49244	.	.	.	.	149.21	C5H11NO2S	88.6	97	-2.3	9	2	4	4	"InChI=1S/C5H11NO2S/c1-2-9-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)"	CCSCC(C(=O)O)N	ULXKXLZEOGLCRJ-UHFFFAOYSA-N
DG50391	Bromocriptine mesylate	31100	"BROMOCRIPTINE MESYLATE; 22260-51-1; Parlodel; Bromocriptine mesilate; Pravidel; Bagren; Bromocryptine mesylate; Bromergon; CB-154 mesylate; Bromocriptine methanesulfonate; (+)-Bromocriptine methanesulfonate; UNII-FFP983J3OD; 2-Bromo-alpha-ergocryptine mesylate; CB 154; FFP983J3OD; Bromocriptine (mesylate); CHEBI:3182; 2-Bromoergocryptine Mesylate; Cycloset; oline-9-carboxamide methanesulfonate; Bromocryptine methanesulfonate; (5'a)-2-Bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione mesylate; NSC169774; SR-01000597796; EINECS 244-881-1; C32H40BrN5O5.CH3SO3H; 2-Bromo-alpha-ergocryptine methanesulfonate; SR-01000075356; 2-Bromine-alpha-ergocryptine methanesulfonate; 2-Bromo-alpha-ergokryptine-mesilate [German]; 2-Bromoergocryptine monomethanesulfonate (salt); NSC-755915; Bromocriptine mesylate [USAN:USP]; Parlodel (TN); (5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman methanesulfonate (salt); (6aR,9R)-5-Bromo-N-[(2R,5S,10aS,10bS)-10b-hydroxy-2-(1-methylethyl)-5-(2-methylpropyl)-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quin; 2-Bromo-alpha-ergokryptine-mesilate; Prestwick_771; Cb-154 mesilate; CAS-22260-51-1; DSSTox_CID_197; BROMOCRIPTINEMESYLATE; alpha-Ergocryptine, 2-bromo-, methanesulfonate; DSSTox_RID_75426; DSSTox_GSID_20197; SCHEMBL40559; 2-Bromo-12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate; Bromocriptine mesylate (USP); Bromocriptine mesylate- Bio-X; Bromocriptine mesilate (JP17); CHEMBL1200503; DTXSID6020197; CB 154 methanesulfonate (salt); HMS1568I04; HMS3260D03; HMS3411K09; HMS3675K09; HMS3712I04; (+)-2-Bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6'-18-trione methanesulfonate salt; 2-Bromo alpha-Ergocryptine Mesylate; Tox21_303597; Tox21_500171; HY-12705A; .alpha.-Ergocryptine, methanesulfonate; AKOS015896276; CCG-220121; CCG-221475; CS-6048; LP00171; NSC 755915; NSC-169774; NCGC00257268-01; NCGC00260856-01; BB164266; Ergotaman-3',6',18-trione, 2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, monomethanesulfonate (salt), (5'alpha)-; 2-Bromo-a-ergocryptine methanesulfonate salt; B6298; EU-0100171; B 2134; D00780; D81822; 2-Bromo-.alpha.-ergocryptine monomethanesulfonate; A903911; SR-01000075356-1; SR-01000597796-1; SR-01000597796-2; Q27105974; (5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-2'-(propan-2-yl)-3',6',18-trioxoergotaman methanesulfonate; (5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	169774	.	.	.	.	750.7	C33H44BrN5O8S	181	1320	.	48	4	9	5	"InChI=1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23-,24+,25+,31-,32+;/m1./s1"	CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O	NOJMTMIRQRDZMT-GSPXQYRGSA-N
DG50392	Cetalkonium chloride	31202	"122-18-9; Cetalkonium chloride; Benzyldimethylhexadecylammonium chloride; Cetyl zephiran; Banicol; Bonjela; Cetyldimethylbenzylammonium chloride; Bicetonium; Acinol; Cdbac; Benzylhexadecyldimethylammonium chloride; N-Benzyl-N,N-dimethylhexadecan-1-aminium chloride; Baktonium; Benzaletas; Tetraseptan; Cetylon; Dmcbac; Spilan; Zettyn; Cetol; Ammonyx G; Ammonyx T; Dehyquart CBB; Benzylcetyldimethylammonium chloride; Pharycidin Concentrate; Cetalkonium (Chloride); Dimethylbenzylhexadecylammonium chloride; Cetylbenzyldimethylammonium chloride; Dimethylbenzylcetylammonium chloride; N-Benzyl-N-cetyldimethylammonium chloride; Win 357; Hexadecyldimethylbenzylammonium chloride; n-Hexadecyldimethylbenzylammonium chloride; Benzenemethanaminium, N-hexadecyl-N,N-dimethyl-, chloride; Hexadecylbenzyldimethylammonium chloride; UNII-85474O1N9D; Ammonium, benzyldimethylhexadecyl-, chloride; MFCD00011625; benzyl-hexadecyl-dimethylazanium;chloride; Benzenemethaminium, N-hexadecyl-N,N-dimethyl, chloride; Benzyl hexadecyl dimethyl ammonium chloride; NSC-32942; BenzylcetyldiMethylaMMoniuM Chloride Hydrate; 85474O1N9D; Benzylhexadecyldimethylammonium (chloride); Winzer solution; Dehyquart CDB; DSSTox_CID_21665; DSSTox_RID_79809; DSSTox_GSID_41665; Cloruro de cetalconio; RODALON; Hexadecyl dimethyl benzyl ammonium chloride; Chlorure de cetalkonium; Zettyn chloride; Benzenemethanaminium, N-hexadecyl-N,N-dimethyl-, chloride (1:1); Sanisol C; Benzyldimethylcetylammonium chloride; Cetalconio cloruro; Cetalconio cloruro [DCIT]; CAS-122-18-9; Cetalkonii chloridum; Cetalkonii chloridum [INN-Latin]; NCGC00167582-01; EINECS 204-526-3; Cloruro de cetalconio [INN-Spanish]; NSC 32942; Chlorure de cetalkonium [INN-French]; Cetalkonium chloride [USAN:INN:BAN]; Cetyl dimethyl benzyl ammonium chloride; 16-BAC; AI3-03464; Ammonium, benzylhexadecyldimethyl-, chloride; Acquat CDAC; N-Hexadecyl-N,N-dimethylbenzenemethanaminium chloride; Zettyn (TN); Benzyldimethyl-n-hexadecylammonium chloride; DSSTox_RID_82703; Zephirol Related Compound 2; DSSTox_GSID_48122; SCHEMBL59931; CHEMBL1644450; DTXSID3041665; Benzenemethanaminium, N-hexadecyl, N,N-dimethyl-, chloride; Benylcetyldimethylammonium chloride; Cetalkonium chloride (USAN/INN); HY-B1597; NSC32942; Tox21_112574; Tox21_301833; Tox21_302079; AKOS015914910; Tox21_112574_1; SC10040; [4-(2-Butyl)piperazin-1-yl]aceticacid; NCGC00255210-01; NCGC00255704-01; NCGC00344524-01; AS-17528; BP-30079; CAS-63449-41-2; B0237; Benzyl-C8-18-alkyldimethylammonium chlorides; CS-0013522; FT-0625070; V0576; Benzenemethanaminium, N,N-dimethyl-, chloride; D03448; F16465; A804855; N-Benzyl-N,N-dimethyl-1-hexadecanaminium chloride; W-109454; Q18345315; Benzyldimethylhexadecylammonium chloride, cationic detergent; UNII-9U1Q4T4ZYS component SXPWTBGAZSPLHA-UHFFFAOYSA-M; UNII-F5UM2KM3W7 component SXPWTBGAZSPLHA-UHFFFAOYSA-M; Benzyldimethylhexadecylammonium chloride 100 microg/mL in Acetonitrile; Benzyldimethylhexadecylammonium chloride, >=97.0% (dried material, AT); Benzyldimethylhexadecylammonium chloride, Vetec(TM) reagent grade, 97%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32942	.	.	.	.	396.1	C25H46ClN	0	291	.	27	0	1	17	"InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1"	CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]	SXPWTBGAZSPLHA-UHFFFAOYSA-M
DG50393	Cetylpyridinium chloride	31239	"cetylpyridinium chloride; 123-03-5; Pristacin; 1-hexadecylpyridin-1-ium chloride; hexadecylpyridinium chloride; Cetamium; 1-Hexadecylpyridinium chloride; Biosept; Cepacol; Dobendan; Pyrisept; Ceprim; Ceepryn chloride; Tserigel; Aktivex; Cepacol chloride; Quaternario CPC; Acetoquat CPC; Intexsan CPC; Swabettes Hoechst; Ammonyx CPC; N-Hexadecylpyridinium chloride; Cetyl pyridinium chloride; N-Cetylpyridinium chloride; 1-Cetylpyridinium chloride; Pyridinium, 1-hexadecyl-, chloride; CETYLPYRIDINIUM CHLORIDE ANHYDROUS; hexadecyl pyridinium chloride; 1-Palmitylpyridinium chloride; Cetylpyridinii chloridum; Cloruro de cetilpiridinio; Chlorure de cetylpyridinium; UNII-6BR7T22E2S; Cetylpyridinium (chloride); 6BR7T22E2S; CHEBI:32915; Medilave; Merocet; Pyridinium, 1-hexadecyl-, chloride (1:1); Ceeprin chloride; Cetylpyridini chloridum; Caswell No. 166A; HSDB 38; Cetilpiridinio cloruro [DCIT]; Cetilpiridinio cloruro; NSC-14864; NSC-756673; EINECS 204-593-9; Cetylpyridinii chloridum [INN-Latin]; NSC 14864; EPA Pesticide Chemical Code 069160; C21H38ClN; Cloruro de cetilpiridinio [INN-Spanish]; Chlorure de cetylpyridinium [INN-French]; AI3-15070; Cetylpyridinium chloride [INN]; CETYL PYRIDINIUM CHLORINE; NB 002; Cetyl-pyridinium chloride; SCHEMBL4763; DSSTox_CID_21761; DSSTox_RID_79838; DSSTox_GSID_41761; CHEMBL34833; SPECTRUM1500169; 1-Hexadecyl-Pyridinium Chloride; DTXSID6041761; HMS501B08; HMS1920M13; HMS2091A20; HMS3652F05; Pharmakon1600-01500169; 1-hexadecylpyridine chloride hydrate; ACT02661; HY-B1464; NSC14864; Tox21_301296; 1-Cetylpyridinium chloride 1-hydrate; CCG-39719; MFCD00011731; NSC756673; s4172; AKOS005267197; KS-5309; MCULE-9273804888; WLN: T6KJ A16 & Q & G; NCGC00094618-01; NCGC00094618-02; NCGC00257543-01; AC-32490; CAS-123-03-5; U303; DB-041704; CS-0013168; FT-0602586; H0078; SW222237-1; A16439; F20369; A832584; A890863; Q418318; SR-05000001582; SR-05000001582-1; W-105282"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14864	.	.	.	.	340	C21H38ClN	3.9	208	.	23	0	1	15	"InChI=1S/C21H38N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1"	CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]	YMKDRGPMQRFJGP-UHFFFAOYSA-M
DG50394	Triamcinolone	31307	"triamcinolone; 124-94-7; Fluoxyprednisolone; Aristocort; Rodinolone; Triamcinolon; Kenacort; Volon; Adcortyl; Delphicort; Ledercort; Triamcet; Tricortale; Celeste; Triam-Tablinen; Cinolone-T; SK-Triamcinolone; Triamcinlon; Fluoxiprednisolone; Triamcinolonum [INN]; Triamcinalone; Triamcinolona; Triamcinolonum; Tiamcinolonum [INN-Latin]; Triamcinolona [INN-Spanish]; Kenacort-AG; 9alpha-Fluoro-16alpha-hydroxyprednisolone; CL 19823; Mycolog; UNII-1ZK20VI6TY; (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; 9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione; Omcilon; 1ZK20VI6TY; Aristocort Tablets; MLS000028542; MLS001066543; CHEBI:9667; (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one; 124-94-7 (free); 9.alpha.-Fluoro-16.alpha.-hydroxyprednisolone; NSC13397; 9alpha-Fluoro-11beta,16alpha,17,21-tetrahydroxy-1,4-pregnadiene-3,20-dione; 9alpha-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione; Pregna-1,4-diene-3,20-dione,9-fluoro-11,16,17,21-tetrahydroxy-, (11b,16a)-; NSC-13397; Tiamcinolonum; SMR000058333; 9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione; Prednisolone, 9-fluoro-16.alpha.-hydroxy-; NSC 13397; DSSTox_CID_20742; DSSTox_RID_79584; DSSTox_GSID_40742; 11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoro-1,4-pregnadiene-3,20-dione; 9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione; Kenacort (TN); Triamcinolone (Aristocort); HSDB 3194; 9-alpha-Fluoro-16-alpha-hydroxyprednisolone; EINECS 204-718-7; BRN 2341955; Prednisolone, 9-fluoro-16alpha-hydroxy-; 9.alpha.-Fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-1,4-pregnadiene-3,20-dione; 9.alpha.-Fluoro-11.beta.,16.alpha.,17,21-tetrahydroxypregna-1,4-diene-3,20-dione; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11.beta.,16.alpha.)-; NCGC00094799-01; CAS-124-94-7; Triamcinolone [USP:INN:BAN:JAN]; Prestwick_438; 9-alpha-Fluoro-11-beta,16-alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione; 11-beta,16-alpha,17-alpha,21-Tetrahydroxy-9-alpha-fluoro-1,4-pregnadiene-3,20-dione; Triamcinolone, topical; Prestwick0_000120; Prestwick1_000120; Prestwick2_000120; Prestwick3_000120; Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,16alpha,17,21-tetrahydroxy-; SCHEMBL4447; CHEMBL1451; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11-beta,16-alpha)-; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11beta,16alpha); Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11beta,16alpha)-; Lopac0_001179; BSPBio_000140; 4-08-00-03629 (Beilstein Handbook Reference); cid_31307; MLS002695935; SPBio_002079; BPBio1_000154; GTPL2870; DTXSID1040742; BDBM41132; Triamcinolone (JP17/USP/INN); HMS1568G22; HMS2090D12; HMS2095G22; HMS2231E20; HMS3263L19; HMS3712G22; BCP11941; EX-A4109; HY-B0328; ZINC3882036; Tox21_111332; Tox21_300178; Tox21_501179; MFCD00010477; s1933; AKOS015895436; Tox21_111332_1; AC-2072; CCG-205253; DB00620; LP01179; SDCCGSBI-0051146.P002; (11beta,16alpha)-9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione; 11.beta.,16.alpha.,17.alpha., 21-Tetrahydroxy-9.alpha.-fluoro-1,4-pregnadiene-3,20-dione; BRN-2341955; SMP1_000300; NCGC00021580-03; NCGC00021580-04; NCGC00021580-05; NCGC00021580-06; NCGC00021580-07; NCGC00021580-08; NCGC00021580-16; NCGC00178404-03; NCGC00254049-01; NCGC00261864-01; 51855-44-8; AS-13657; NCI60_000750; EU-0101179; D00385; E70344; J10062; 124T947; SR-01000000079; Q1074056; SR-01000000079-3; BRD-K77554836-001-03-3; BRD-K77554836-001-14-0; Triamcinolone, British Pharmacopoeia (BP) Reference Standard; Triamcinolone, European Pharmacopoeia (EP) Reference Standard; WLN: L E5 B666 OV KU MUTJ A1 BF CQ E1 FV1Q FQ GQ; Triamcinolone, United States Pharmacopeia (USP) Reference Standard; 3-[2[[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]OXY]ETHYL]-PIPERIDINE; 9.alpha.-Fluoro-11.beta.,17,21-tetrahydroxy-1,4-pregnadiene-3,20-dione; 9.alpha.-Fluoro-11.beta.,17,21-tetrahydroxypregna-1,4-diene-3,20-dione; Pregna-1,20-dione, 9-fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-; 11.beta.,17.alpha.,21-Tetrahydroxy-9.alpha.-fluoro-1,4-pregnadiene-3,20-dione; 9.alpha.-Fluoro-11.beta.,17.alpha.,21-tetrahydroxypregna-1,4-diene-3,20-dione; Pregna-1,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11.beta.,16.alpha.)-; Pregna-1,4-diene-3, 20-dione, 9-fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-; Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,16alpha,17,21-tetrahydroxy- (8CI); (1R,2S,10S,11S,13R,14S,15S,17S)-1-fluoro-13,14,17-trihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one; 9.alpha.-Fluoro-11.beta.,16.alpha.,17.alpha., 21-tetrahydroxypregna-1,4-diene-3,20-dione; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11beta,16alpha)-, tetrahydro deriv."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13397	.	.	.	.	394.4	C21H27FO6	115	807	1.2	28	4	7	2	"InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1"	C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@@]43C)F)O	GFNANZIMVAIWHM-OBYCQNJPSA-N
DG50395	Oxyphenisatine	31315	"Oxyphenisatin; Oxyphenisatine; 125-13-3; Veripaque; 3,3-Bis(p-hydroxyphenyl)oxindole; Phenolisatin; Recolon; Diphenolisatin; Isatinbisphenol; Hoscolax; Neodrast; Normalax; Propellax; Critex; Isolax; Lavema; Dihydroxyphenoloxindol; 4,4'-Dihydroxydiphenylisatin; 3,3-Bis(4-hydroxyphenyl)oxindole; 3,3-Bis(p-hydroxyphenyl)-2-indolinone; 3,3-bis(4-hydroxyphenyl)indolin-2-one; 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxyphenyl)-; UNII-3BT0VQG2GQ; NSC 59814; 1,3-Dihydro-3,3-bis(4-hydroxyphenyl)-2H-indol-2-one; Oxindole, 3,3-bis(p-hydroxyphenyl)-; 3,3-Bis(4-hydroxyphenyl)-oxindole; 3BT0VQG2GQ; Oxiphenisatinum; 2-INDOLINONE, 3,3-BIS(p-HYDROXYPHENYL)-; NSC-59814; DSSTox_CID_24528; DSSTox_RID_80294; DSSTox_GSID_44528; Oxifenisatina [INN-Spanish]; Oxyphenisatinum [INN-Latin]; Oxyphenisatinum; Oxifenisatina; Nourilax; Oxyphenisatine [INN:BAN]; CAS-125-13-3; EINECS 204-728-1; BRN 0286070; Isaphen (TN); Oxyphenisatine (INN); 3,3-bis(4-hydroxyphenyl)-1H-indol-2-one; NCIOpen2_007896; 5-21-13-00398 (Beilstein Handbook Reference); SCHEMBL239513; CHEMBL245807; SCHEMBL8777299; DTXSID5044528; CHEBI:135358; HY-B2102; NSC59814; ZINC4217234; Tox21_113927; Tox21_301931; MFCD00022794; ZB1280; 3,3-bis-(4-hydroxyphenyl)-oxindole; 2-Indolinone,3-bis(p-hydroxyphenyl)-; AKOS003628613; CS-6312; DB04823; MCULE-1522212653; NCGC00255866-01; NCGC00262932-01; AS-76819; DB-080971; FT-0614032; 3,3-bis-(4-Hydroxyphenyl)-2(3H)-indolone; D08326; SR-01000196726; Q7116108; SR-01000196726-1; 2H-Indol-2-one,3-dihydro-3,3-bis(4-hydroxyphenyl)-; 3,3-Bis(4-hydroxyphenyl)-1,3-dihydro-2H-indol-2-one #; 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxyphenyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	59814	.	.	.	.	317.3	C20H15NO3	69.6	442	3.2	24	3	3	2	"InChI=1S/C20H15NO3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24/h1-12,22-23H,(H,21,24)"	C1=CC=C2C(=C1)C(C(=O)N2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O	SJDACOMXKWHBOW-UHFFFAOYSA-N
DG50396	Thymolphthalein	31316	"THYMOLPHTHALEIN; 125-20-2; Thymophthalein; MLS000736489; TCMDC-123951; UNII-YG5I28WSQP; NSC2186; EINECS 204-729-7; MFCD00005909; YG5I28WSQP; 3,3-Bis(4-hydroxy-5-isopropyl-o-tolyl)phthalide; 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one; SMR000528039; 1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-; C28H30O4; NSC-2186; Phenolphthalein, 5',5''-diisopropyl-2',2''-dimethyl-; 3,3-Bis(4-hydroxy-5-isopropyl-2-methylphenyl)-2-benzofuran-1(3H)-one; 3,3-bis(4-hydroxy-5-isopropyl-2-methylphenyl)isobenzofuran-1(3H)-one; 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-; 3,3-bis[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2-benzofuran-1(3H)-one; thymolphthaleine; NSC 2186; Thymol phenolphthalein; Opera_ID_1318; NCIMech_000710; NCIStruc1_001086; NCIStruc2_001003; SCHEMBL62716; cid_31316; 5',5''-Diisopropyl-2',2''-dimethylphenolphthalein; CHEMBL587849; bp13944; DTXSID2051633; BDBM58093; NCI2186; Thymolphthalein, JIS special grade; 2-AMINO-2-ETHYLOCTANOICACID; BCP14127; ZINC3860920; Thymolphthalein, p.a., ACS reagent; BBL002035; CCG-35804; CCG-37314; NCGC00013018; STK027809; 3,3-bis[4-hydroxy-2-methyl-5-(methylethyl)phenyl]-3-hydroisobenzofuran-1-one; AKOS000492934; MCULE-6633895173; NCGC00013018-02; NCGC00096145-01; AS-20020; NCI60_001823; DB-041790; FT-0631730; T0130; T0237; Z3749; E75957; Thymolphthalein, 0.05% w/v solution in ethanol; Thymolphthalein, ACS reagent, Dye content 95 %; Q421048; Phenolphthalein,5''-diisopropyl-2',2''-dimethyl-; W-108403; Thymolphthalein, ACS reagent, indicator (pH 8.8-10.5); Phenolphthalein, 5',5''-diisopropyl-2',2''-dimethyl- (8CI); 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1-isobenzofuranone; 3,3-Bis(4-hydroxy-5-isopropyl-2-methylphenyl)isobenzofuran-1-one; 1(3H)-Isobenzofuranone,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-; 3,3-bis(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-2-benzofuran-1-one; 3,3-Bis(4-Hydroxy-2-methyl-5-Propan-2-yl-Phenyl)Isobenzofuran-1-one; 3,3-Bis(4-hydroxy-5-isopropyl-2-methylphenyl)-2-benzofuran-1(3H)-one #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2186	.	.	.	.	430.5	C28H30O4	66.8	636	6.8	32	2	4	4	"InChI=1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3"	CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O	LDKDGDIWEUUXSH-UHFFFAOYSA-N
DG50397	"1,4-Diaminoanthraquinone"	31420	"1,4-Diaminoanthraquinone; 128-95-0; 1,4-diaminoanthracene-9,10-dione; Disperse violet 1; 1,4-Diamino anthraquinone; 9,10-Anthracenedione, 1,4-diamino-; C.I. Disperse Violet 1; Krisolamine; Grasol Violet R; Seacyl Violet R; Acetate Red Violet R; Setacyl Violet R; Oil Violet R; Disperse Violet K; Gracet Violet 2R; Oracet Violet 2R; Resiren Violet TR; Setile Violet 3R; Amacel heliotrope R; Cibacet Violet 2R; Duranol Violet 2R; Nacelan Violet 4R; Dispersive Violet K; Cibacete Violet 2R; Perliton Violet 3R; Solvent Violet 11; Artisil Violet 2RP; Nyloquinone Violet R; Setacyl Violet P-R; Sectacyl Violet propyl; Microsetile Violet 3R; Lurafix Red Violet RN; Celliton Fast Violet R; Celutate Red Violet RH; Fenacet Fast Violet 5R; Celanthrene Red Violet R; Celliton Fast Red Violet; 1,4-Anthraquinonyldiamine; C.I. Disperse Violet 9; Cibacet Violet E2R; Cilla Fast Red Violet RN; Amaplast Red Violet P 2R; Artisil Direct Violet 2RP; Interchem Acetate Violet R; Mideton Fast Red Violet R; Miketon Fast Red Violet R; C.I. Solvent Violet 11; Acetylon Fast Red Violet R; Celliton Fast Red Violet R; Diacelliton Fast Violet 5R; Serisol Brilliant Violet 2R; Celliton Fast Red Violet RN; Supracet Brilliant Violet 3R; 1,4-Diaminoanthrachinon; Interchem Hisperse Violet 2RH; Transetile violet P 3R; C.I. 61100; Acetoquinone Light Heliotrope NL; Celliton Fast Red Violet RNA-CF; Interchem Acetate Red Violet RRLF; Anthraquinone, 1,4-diamino-; UNII-N21HDQ0TKN; 1,4-Diamino-9-10-anthraquinone; 1,4-Diamino-anthraquinone; Duranol Violet 2R, 1,4-diamino-; 1,4-DIAMINO-9,10-ANTHRACENEDIONE; N21HDQ0TKN; CHEMBL86771; NSC7833; 1,4-Diamino-9,10-anthraquinone; 9, 1,4-diamino-; Anthraquinone,4-diamino-; Duranol Violet 2R,4-diamino-; WLN: L C666 BV IVJ DZ GZ; Interchem Disperse Violet 2RH; CCRIS 5603; 1,4-Diaminoanthrachinon [Czech]; EINECS 204-922-6; NSC 63807; Sudan Violet; p,p-Ddd; Cibacet Violet E 2R; 1,4diaminoanthraquinone; Celliton Red Violet RN; 1,4 -diaminoanthraquinone; NCIMech_000274; 1,4 - diaminoanthraquinone; DSSTox_CID_21252; DSSTox_RID_79664; NCIOpen2_002876; DSSTox_GSID_41252; SCHEMBL525762; DTXSID2041252; SCHEMBL13219066; FBMQNRKSAWNXBT-UHFFFAOYSA-; Leuco 1,4 Diamino Anthraquinone; 1,4-Diaminoanthra-9,10-quinone; NSC 7833; NSC-7833; NSC63807; ZINC3902902; Tox21_300683; BBL034621; BDBM50094895; CCG-35461; MFCD00001224; NSC-63807; STK805481; 1,4-Diaminoanthra-9,10-quinone #; AKOS000119645; 9,10-Dihydroxy-1,4-anthracenediimine; MCULE-9284874552; 1,4-bis(azanyl)anthracene-9,10-dione; NCGC00248139-01; NCGC00254591-01; AC-10621; AS-17181; CAS-128-95-0; NCI60_041728; T543; 1,4-Diaminoanthraquinone (leuco compound); 9,10-dihydroxy-1,4-anthraquinone diimine; DB-041913; D0075; D3539; FT-0606834; 28D950; 4-amino-9-hydroxy-1,10-anthraquinone 1-imine; D89589; 1,4-Diaminoanthraquinone, technical grade, 90%; A805883; Q-200081; W-108369; 1,4-Diaminoanthraquinone, technical, >=90% (HPLC); Q27284401"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7833	.	.	.	.	238.24	C14H10N2O2	86.2	346	2.6	18	2	4	0	"InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2"	C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)N)N	FBMQNRKSAWNXBT-UHFFFAOYSA-N
DG50398	"Stannane, dicyclohexyloxo-"	31510	"Dicyclohexyltin oxide; Stannane, dicyclohexyloxo-; 22771-17-1; UNII-E0P23WVX51; E0P23WVX51; dicyclohexyl(oxo)tin; NSC 99148; SCHEMBL15107; Tin, dicyclohexyloxo- (7CI); DTXSID2073437; NSC99148; NSC-99148"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99148	.	.	.	.	301.01	C12H22OSn	17.1	171	.	14	0	1	2	"InChI=1S/2C6H11.O.Sn/c2*1-2-4-6-5-3-1;;/h2*1H,2-6H2;;"	C1CCC(CC1)[Sn](=O)C2CCCCC2	QULMZVWEGVTWJY-UHFFFAOYSA-N
DG50399	Dianhydrodulcitol	31789	"Dianhydrodulcitol; Dulcitol diepoxide; 1,2:5,6-Diepoxydulcitol; Dianhydromannitol; 23261-20-3; Galactitol, 1,2:5,6-dianhydro-; NSC 132313; 5,6-Diepoxydulcitol; 1,2-bis(oxiran-2-yl)ethane-1,2-diol; 1,2:5,6-Dianhydrodulcitol; Dianhydrodulcitol;Dianhydrogalactitol; 1,2-5,6-Dianhydro-dulcitol; NSC132313; 19895-66-0; 1,6-Diepoxydulcitol; 1,6-Dianhydrodulcitol; 1,6-Dianhydromannitol; 1,6-Dianhydrogalactitol; 1,6-Diepoxy-D-mannitol; 1,6-Dianhydro-D-mannitol; 1,2:5,6-Dianhydrohexitol; 1,6-Di-Anhydro-D-mannitol; Galactitol,2:5,6-dianhydro-; SCHEMBL8375579; D-Mannitol,2:5,6-dianhydro-; CHEMBL1987719; DTXSID60941768; Mannitol,2:5,6-dianhydro-, D-; NSC133129; AKOS025396866; NCI60_000711; FT-0667810; 261D203"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132313	.	.	.	.	146.14	C6H10O4	65.5	122	-1.3	10	2	4	3	"InChI=1S/C6H10O4/c7-5(3-1-9-3)6(8)4-2-10-4/h3-8H,1-2H2"	C1C(O1)C(C(C2CO2)O)O	AAFJXZWCNVJTMK-UHFFFAOYSA-N
DG50400	"2-Chloro-N-(2,4,5-trichlorophenyl)acetamide"	32018	"2-Chloro-N-(2,4,5-trichlorophenyl)acetamide; 23595-42-8; 2,2',4',5'-Tetrachloroacetanilide; ACETANILIDE, 2,2',4',5'-TETRACHLORO-; Acetamide, 2-chloro-N-(2,4,5-trichlorophenyl)-; UNII-3E5H9S6FG5; 3E5H9S6FG5; 2-Chloro-N-(2,4,5-trichloro-phenyl)-acetamide; NSC 165604; BRN 2214980; 2',4',5'-Trichloro-2-chloroacetanilide; NSC165604; Acetamide,2-chloro-N-(2,4,5-trichlorophenyl)-; WLN: G1VMR BG DG EG; SCHEMBL7291409; CHEMBL2007384; 2,4',5'-Tetrachloroacetanilide; Acetamide,4,5-trichlorophenyl)-; DTXSID70178245; ALBB-002315; ZINC1648953; 7984AD; BBL013335; MFCD00018889; STK118511; Acetanilide,2',4',5'-tetrachloro-; AKOS000268713; MCULE-1479726346; NSC-165604; NCI60_001272; VS-03760; BB 0217398; CS-0307526; 2-Chloro-N-(2,4,5-trichlorophenyl)acetamide #; Acetamide, 2-chloro-N-(2,4,5-trichlorophenyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	165604	.	.	.	.	272.9	C8H5Cl4NO	29.1	214	3.6	14	1	1	2	"InChI=1S/C8H5Cl4NO/c9-3-8(14)13-7-2-5(11)4(10)1-6(7)12/h1-2H,3H2,(H,13,14)"	C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)CCl	GQRWKOPRUXSOBA-UHFFFAOYSA-N
DG50401	Dmask	32465	"Dmask; Arnebin 1; (Rac)-Arnebin 1; 24502-79-2; Isoarnebin I; NSC140377; [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate; 5162-01-6; (beta,beta-Dimethylacryl)shikonin; Arnebin; Arnebin I; 2-Butenoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (+)-; Alkanin b,b-dimethylacrylate; Alkanin,.beta.-dimethylacrylate; SCHEMBL4279672; CHEMBL2002642; DTXSID10947396; BCP15526; BCP31231; HY-N5112; .beta.,.beta.-Dimethylacrylshikonin; AKOS037515608; NSC-140377; (c)micro,(c)micro-Dimethylacrylalkannin; Shikonin .beta.,.beta.-dimethylacrylate; NCI60_000890; DS-013077; CS-0032426; D2118; FT-0774263; A874947; Dimethylacrylshikonin;(Beta,beta-dimethylacryl)shikonin; 1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-methyl-3-pentenyl 3-methyl-2-butenoate #; 1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 3-methylbut-2-enoate; 2-Butenoic acid, 1-(5,8-dihydro- 1,4-dihydroxy-5,8-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester; 2-Butenoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester; 2-Butenoic acid,3-methyl-,1-(5,8-dihydro-1,4-dihydroxy-5,8-dioxo-2-naphthalenyl)-4-methyl-3-pentenylester, (s)-(9ci); 23444-70-4; 5,8-Dihydroxy-2-[1-(beta,beta-dimethylacryloyloxy)-4-methyl-3-pentenyl]-1,4-naphthalenedione; Crotonic acid, 3-methyl-, ester with 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	140377	.	.	.	.	370.4	C21H22O6	101	706	5	27	2	6	6	"InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3"	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C=C(C)C)C	BATBOVZTQBLKIL-UHFFFAOYSA-N
DG50402	Adriblastin	32874	"Doxorubicin HCl; Epirubicin hydrochloride; ADM hydrochloride; Adriblastin; Hydroxydaunorubicin hydrochloride; Epirubicin HCl; 25316-40-9; FI 6804; 4'-epi-Adriamycin hydrochloride; 56390-09-1; MLS002702107; DOX HCl; NSC123127; EpirubicinHCL; Ellence (Pharmacia); NSC256942; Pidorubicin hydrochloride; NSC-123127; NSC-256942; Adriamycin PFS (Pharmacia); SCHEMBL317302; CHEMBL543353; (8S,10S)-10-[(3-Amino-2,3,6-trideoxy- -L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,12-naphthacenedione hydrochloride; CCG-208148; CCG-208196; D4193; ADR; 5, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride; 5, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-; 5, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-; L-lyxo-Hexopyranoside,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1a-naphthacenyl 3-amino-2,3,6-trideoxy-, .alpha.-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123127	.	.	.	.	580	C27H30ClNO11	206	977	.	40	7	12	5	"InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10 ,13 ,15-,17 ,22 ,27-;/m0./s1"	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.Cl	MWWSFMDVAYGXBV-FGBJBKNOSA-N
DG50403	NSC307241	32875	"MLS002702107; NSC307241; NSC-307241; NCGC00163543-01; CHEMBL6608; SCHEMBL95415; SCHEMBL23365786; CHEBI:124964; HSCI1_000272; Adriamycin deriv., mixt. with hydroxyethyl starch (cross-linked); NCGC00163543-02; NCI60_000547; SMR001565675; AB01013751-05; BRD-A56518012-003-01-1; BRD-A56518012-003-02-9; Q27215293; (7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; (8s,10s)-10-(4-amino-5-hydroxy-6-methyl-tetrahydro-2h-pyran-2-yloxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	307241	.	.	.	.	543.5	C27H29NO11	206	977	1.3	39	6	12	5	"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10 ,13 ,15-,17 ,22 ,27-/m0/s1"	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-SNFLSGHGSA-N
DG50404	Alovudine	33039	"Alovudine; 25526-93-6; 3'-DEOXY-3'-FLUOROTHYMIDINE; 3'-Fluoro-3'-deoxythymidine; FddT; Thymidine, 3'-deoxy-3'-fluoro-; FddThD; 3'F-TdR; UNII-PG53R0DWDQ; 1-((2R,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione; 3'-Fluorothymidine; CL 184824; PG53R0DWDQ; 3'-Fluorodeoxythymidine; CHEMBL105318; FLT; MIV-310; NSC-140025; CL-184824; CL 184,824; DSSTox_CID_26579; DSSTox_RID_81738; DSSTox_GSID_46579; 3'-FddT; Alovudine [USAN:INN]; 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione; CAS-25526-93-6; 3'-FLT; DRG-0097; NSC 140025; BRN 0754299; FLT authentic; NSC140025; C10H13FN2O4; NCGC00166256-01; 3'-Deoxy-3'-18F fluorothymidine; 1-(3'-Deoxy-3'-fluoro-beta-D-pentofuranosyl)thymine; Alovudine (USAN/INN); 3-Deoxy-3-fluorothymidine; SCHEMBL133722; DTXSID4046579; CHEBI:177762; HY-B1516; ZINC1725270; Tox21_112376; BDBM50132287; MFCD00056058; s6848; 3'-Deoxy-3'-fluorothymidine, 97%; AKOS015917785; Tox21_112376_1; DB06198; FC-1032; 3''-Fluoro-2'',3''-dideoxythymidine; NCGC00166256-02; 3'-Fluoro-3'-deoxythymidine (Alovudine); AS-60404; R132; 3'-Deoxy-3'-fluorothymidine(ALOVUDINE); CL-184,824; CS-0013305; D02830; 526D936; A817893; Q4734671; 1-(3-fluoro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)thymine; 1-[(2R,4S,5R)-4-luoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione; 1-((2R,5R)-4-Fluoro-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione; 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	140025	.	.	.	.	244.22	C10H13FN2O4	78.9	385	-0.3	17	2	5	2	"InChI=1S/C10H13FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1"	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)F	UXCAQJAQSWSNPQ-XLPZGREQSA-N
DG50405	Carboxymethyl ethylxanthate	33055	"25554-84-1; Carboxymethyl ethylxanthate; [(ethoxycarbonothioyl)thio]acetic acid; Ethyl xanthogeneacetic acid; 2-ethoxycarbothioylsulfanylacetic acid; 2-[(ethoxymethanethioyl)sulfanyl]acetic acid; NSC85743; Dithiocarbonic acid S-carboxymethyl O-ethyl ester; UNII-H778OG3C6S; 2-((Ethoxycarbonothioyl)thio)acetic acid; Acetic acid, [(ethoxythioxomethyl)thio]-; H778OG3C6S; NSC-85743; ((Ethoxythiomethyl)thio)acetic acid; NSC 85743; BRN 1771184; Xanthic acid, ethyl-, ester with mercaptoacetic acid; Xanthic acid, ethyl-, carboxymethyl ester; CARBONIC ACID, DITHIO-, S-CARBOXYMETHYL O-ETHYL ESTER; WLN: SUYO2&S1VQ; Acetic acid, ((ethoxythiomethyl)thio)- (9CI); NCIStruc1_000099; NCIStruc2_000179; 4-03-00-00611 (Beilstein Handbook Reference); ETHYLXANTHOGENACETIC ACID; SCHEMBL3412115; CHEMBL1446522; DTXSID60180251; ALBB-026263; NCI85743; ZINC1760604; ((ethoxycarbothioyl)thio)acetic acid; CCG-36305; Ethoxythiocarbonylsulfanyl-acetic acid; MFCD00022145; NCGC00013900; AKOS003684870; MCULE-8546838454; S-ethoxythiocarbonyl mercaptoacetic acid; NCGC00013900-02; NCGC00097009-01; LS-08923; NCI60_041895; S-(Carboxymethyl) O-ethyl dithiocarbonate; 2-[(Ethoxycarbonothioyl)sulfanyl]acetic acid; Carbonic acid, S-carboxymethyl o-ethyl ester; Acetic acid, ((ethoxythioxomethyl)thio)- (9CI); Carbonic acid, dithio-, O-ethyl ester, S-ester with mercaptoacetic acid (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85743	.	.	.	.	180.2	C5H8O3S2	104	135	1.6	10	1	5	5	"InChI=1S/C5H8O3S2/c1-2-8-5(9)10-3-4(6)7/h2-3H2,1H3,(H,6,7)"	CCOC(=S)SCC(=O)O	CZLONQRTHUAGMG-UHFFFAOYSA-N
DG50406	"1,2,3-Tribenzylguanidine"	33144	"1,2,3-tribenzylguanidine; MLS002638736; 5440-98-2; NSC20644; CHEMBL1702199; SCHEMBL16443508; DTXSID30275022; HMS3078C17; ZINC1571152; NSC-20644; SMR001548203; DS-008175"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	20644	.	.	.	.	329.4	C22H23N3	36.4	351	4.1	25	2	1	8	"InChI=1S/C22H23N3/c1-4-10-19(11-5-1)16-23-22(24-17-20-12-6-2-7-13-20)25-18-21-14-8-3-9-15-21/h1-15H,16-18H2,(H2,23,24,25)"	C1=CC=C(C=C1)CNC(=NCC2=CC=CC=C2)NCC3=CC=CC=C3	CRQXNVPOHIITIU-UHFFFAOYSA-N
DG50407	"Colchicine, 17-chloro-"	33463	"Chlorocolchicine; Chlorcolchicine; COLCHICINE, 17-CHLORO-; 26279-89-0; 17-Chlorocolchicine; NSC 142024; BRN 2790212; Acetamide, 2-chloro-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-; CHEMBL315180; DTXSID90180906; ZINC5023614; NSC142024; NSC164850; NSC-142024; NSC-164850; Acetamide,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl); Acetamide, 2-chloro-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	164850	.	.	.	.	433.9	C22H24ClNO6	83.1	761	1.7	30	1	6	6	"InChI=1S/C22H24ClNO6/c1-27-17-8-6-13-14(10-16(17)25)15(24-19(26)11-23)7-5-12-9-18(28-2)21(29-3)22(30-4)20(12)13/h6,8-10,15H,5,7,11H2,1-4H3,(H,24,26)/t15-/m0/s1"	COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)CCl	XBFWCWRZDWNRIE-HNNXBMFYSA-N
DG50408	"Aniline, 3,4-methylenedioxy-N-(2-oxazolinyl)-"	33632	"NSC664285; ANILINE, 3,4-METHYLENEDIOXY-N-(2-OXAZOLINYL)-; 26882-70-2; BRN 0994546; 2-(3,4-Methylenedioxyaniline)-2-oxazoline; CHEMBL1978933; DTXSID60181389; N-(1,3-Benzodioxol-5-yl)-4,5-dihydro-1,3-oxazol-2-amine; ZINC1639228; NSC-664285; NCI60_022160; N-(1,3-benzodioxol-5-yl)-4,5-dihydrooxazol-2-amine; N-(1,3-Benzodioxol-5-yl)-N-(4,5-dihydro-1,3-oxazol-2-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664285	.	.	.	.	206.2	C10H10N2O3	52.1	269	1	15	1	4	2	"InChI=1S/C10H10N2O3/c1-2-8-9(15-6-14-8)5-7(1)12-10-11-3-4-13-10/h1-2,5H,3-4,6H2,(H,11,12)"	C1COC(=N1)NC2=CC3=C(C=C2)OCO3	SMPAXXXLWWFLFY-UHFFFAOYSA-N
DG50409	"6-(Chloromethyl)-N-Phenyl-1,3,5-Triazine-2,4-Diamine"	34942	"30355-60-3; 6-(Chloromethyl)-N-Phenyl-1,3,5-Triazine-2,4-Diamine; 6-(chloromethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine; 6-(chloromethyl)-N2-phenyl-1,3,5-triazine-2,4-diamine; NSC89736; MLS000771929; 2-amino-4-anilino-6-(chloromethyl)-1,3,5-triazine; SCHEMBL2493403; CHEMBL1442172; 1,3,5-Triazine-2,4-diamine,6-(chloromethyl)-N2-phenyl-; 6-(chloromethyl)-N'-phenyl-1,3,5-triazine-2,4-diamine; DTXSID70275127; HMS2686E16; KUC105472N; ZINC542346; ALBB-022032; 9586AD; KSC-1-298; MFCD00085524; NSC-89736; STL283812; 4-(TRIFLUOROACETYL)BENZOICACID; AKOS000270248; AKOS001444959; AKOS030689601; MCULE-8355342636; SB73299; NCGC00245973-01; LS-06777; NCI60_041993; SMR000376482; FT-0651746; EN300-13366; 2-Amino-4-anilino-6-(chloromethyl)-S-triazine; A820342; s-Triazine, 2-amino-4-anilino-6-(chloromethyl)-; SR-01000051679; SR-01000051679-1; [4-amino-6-(chloromethyl)-s-triazin-2-yl]-phenyl-amine; 1,3,5-Triazine-2,4-diamine, 6-(chloromethyl)-N-phenyl-; 6-(Chloromethyl)-N~2~-phenyl-1,3,5-triazine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89736	.	.	.	.	235.67	C10H10ClN5	76.7	209	1.9	16	2	5	3	"InChI=1S/C10H10ClN5/c11-6-8-14-9(12)16-10(15-8)13-7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,13,14,15,16)"	C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CCl	ZEXYPLRLARKYLF-UHFFFAOYSA-N
DG50410	"s-Triazine, 2,4-dichloro-6-(1-naphthylamino)-"	35300	"30369-88-1; NSC663623; s-Triazine, 2,4-dichloro-6-(1-naphthylamino)-; BRN 0241330; 2,4-DICHLORO-6-(1-NAPHTHYLAMINO)-S-TRIAZINE; 5-26-08-00023 (Beilstein Handbook Reference); SCHEMBL8973410; CHEMBL1968377; 1,3,5-Triazin-2-amine, 4,6-dichloro-N-1-naphthalenyl-; DTXSID90184449; ZINC1638842; AKOS012153393; NSC-663623; NCI60_021842; N-(1-Naphthyl)-4,6-dichloro-s-triazine-2-amine; 4,6-Dichloro-N-(1-naphthyl)-1,3,5-triazin-2-amine; N-(4,6-Dichloro-1,3,5-triazin-2-yl)-N-(1-naphthyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663623	.	.	.	.	291.13	C13H8Cl2N4	50.7	294	4.7	19	1	4	2	"InChI=1S/C13H8Cl2N4/c14-11-17-12(15)19-13(18-11)16-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,16,17,18,19)"	C1=CC=C2C(=C1)C=CC=C2NC3=NC(=NC(=N3)Cl)Cl	DDGDKGONLRLJDM-UHFFFAOYSA-N
DG50411	3-Ketobutyltrimethylammonium iodide	35720	"MLS002701685; 31034-98-7; N,N,N-Trimethyl-3-oxobutan-1-aminium iodide; 3-Ketobutyltrimethylammonium iodide; N-Butan-3-one-N,N,N-trimethylammonium iodide; AMMONIUM, N-BUTAN-3-ONE-N,N,N-TRIMETHYL-, IODIDE; CHEMBL1874433; SCHEMBL11575833; DTXSID40953147; NSC638636; NSC-638636; SMR001565283; trimethyl-(beta-acetylethyl)-ammonium iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638636	.	.	.	.	257.11	C7H16INO	17.1	102	.	10	0	2	3	"InChI=1S/C7H16NO.HI/c1-7(9)5-6-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1"	CC(=O)CC[N+](C)(C)C.[I-]	GUIWMJZVPUIZPM-UHFFFAOYSA-M
DG50412	Flubendazole	35802	"Flubendazole; 31430-15-6; Flubendazol; Flumoxane; Fluvermal; Flubenol; Methyl (5-(4-fluorobenzoyl)-1H-benzo[d]imidazol-2-yl)carbamate; Flubendazolum; R 17,889; Flumoxanal; Methyl 5-(p-fluorobenzoyl)-2-benzimidazolecarbamate; NSC 313680; UNII-R8M46911LR; Methyl [5-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate; R 17899; (5-(4-Fluorobenzoyl)-1H-benzimidazole-2-yl)carbamic acid methyl ester; Methyl N-(5-(p-fluorobenzoyl)-2-benzimidazolyl)carbamate; C16H12FN3O3; CHEBI:77095; Flubendazole-d3; R8M46911LR; MFCD00871999; NSC313680; NSC-313680; CPD000466360; methyl N-[5-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate; methyl N-{5-[(4-fluorophenyl)carbonyl]-1H-1,3-benzodiazol-2-yl}carbamate; Flubendazol [INN-Spanish]; Flubendazolum [INN-Latin]; SMR000466360; CCRIS 4480; SR-01000759412; EINECS 250-624-4; Flicum; Flubendazole [USAN:INN:BAN]; methyl {6-[(4-fluorophenyl)carbonyl]-1H-benzimidazol-2-yl}carbamate; Carbamic acid, (5-(4-fluorobenzoyl)-1H-benzimidazol-2-yl)-, methyl ester; methyl N-[6-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate; Flubendazole (Flutelmium); 2-BENZIMIDAZOLECARBAMIC ACID, 5-(p-FLUOROBENZOYL)-, METHYL ESTER; Flubendazole (USAN/INN); R-17889; MLS000759477; MLS001424042; MLS006010905; SCHEMBL167185; R-17,889; CHEMBL1454946; DTXSID8023058; 5-(p-fluorobenzoyl)-2-benzimidazolecarbamic acid methyl ester; HMS2051A18; HMS2090I16; HMS3393A18; HMS3714D06; ACT02027; BCP34258; HY-B0294; ZINC3830847; s1837; AKOS015894917; AKOS015960439; AC-8716; CCG-100887; CCG-267614; DB08974; NC00137; NCGC00246966-01; NCGC00246966-03; NCGC00246966-12; AS-12271; F0825; FT-0626436; D04200; D70276; J10180; AB00639981-06; AB00639981-08; AB00639981_09; Flubendazol, VETRANAL(TM), analytical standard; 430F156; A820846; Q241992; Flubendazole, Antibiotic for Culture Media Use Only; Q-201119; SR-01000759412-4; SR-01000759412-5; Methyl [5-(4-Fluorobenzoyl)benzimidazol-2-yl]carbamate; Flubendazol, European Pharmacopoeia (EP) Reference Standard; methyl 5-(4-fluorobenzoyl)-1H-benzo[d]imidazol-2-ylcarbamate; [5-(4-Fluorobenzoyl)benzimidazol-2-yl]carbamic Acid Methyl Ester; Methyl (5-(4-fluorobenzoyl)-1H-benzo-[d]imidazol-2-yl)carbamate; methyl (6-(4-fluorobenzoyl)-1H-benzo[d]imidazol-2-yl)carbamate; Carbamicacid, [5-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]-methylester; N-{5-[(4-Fluorophenyl)carbonyl]benzimidazol-2-yl}methyloxymethanamide; Flubendazole for system suitability, European Pharmacopoeia (EP) Reference Standard; N-[6-[(4-fluorophenyl)-oxomethyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester; NSC 313680; NSC313680; NSC-313680; R 17899; R17899; R-17899"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	313680	.	.	.	.	313.28	C16H12FN3O3	84.1	454	2.9	23	2	5	4	"InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)F	CPEUVMUXAHMANV-UHFFFAOYSA-N
DG50413	Bikaverin	36433	"Bikaverin; Lycopersin; 33390-21-5; NSC 215139; BRN 0358013; NSC215139; UNII-F1N6BX58PJ; F1N6BX58PJ; 10H-BENZO(b)XANTHENE-7,10,12-TRIONE, 6,11-DIHYDROXY-3,8-DIMETHOXY-1-METHYL-; CHEBI:3096; 6,11-Dihydroxy-3,8-dimethoxy-1-methyl-10H-benzo(b)xanthene-7,10,12-trione; 6,11-dihydroxy-3,8-dimethoxy-1-methyl-10H-benzo[b]xanthene-7,10,12-trione; Neuro_000112; 5-18-05-00692 (Beilstein Handbook Reference); CHEMBL373432; DTXSID80187020; ZINC5765165; NSC-215139; 7,10-Dihydro-6,11-dihydroxy-3,8-dimethoxy-1-methyl-12H-benzo(b)xanthene-7,10,12-trione; NCI60_001795; HY-121004; CS-0078923; J-019172; Q27105942; 6,11-dihydroxy-3,8-dimethoxy-1-methyl-benzo[b]xanthene-7,10,12-trione; 7,10-dihydroxy-3,8-dimethoxy-1-methylbenzo[b]xanthene-6,11,12-trione; 10H-Benzo[b]xanthene-7,12-trione, 6,11-dihydroxy-3,8-dimethoxy-1-methyl-; 6,11-Dihydroxy-3,8-dimethoxy-1-methyl-7H-benzo[b]xanthene-7,10,12-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	215139	.	.	.	.	382.3	C20H14O8	119	743	3.6	28	2	8	2	"InChI=1S/C20H14O8/c1-7-4-8(26-2)5-10-12(7)17(23)15-18(24)13-9(21)6-11(27-3)16(22)14(13)19(25)20(15)28-10/h4-6,21-22H,1-3H3"	CC1=CC(=CC2=C1C(=O)C3=C(O2)C(=O)C4=C(C3=O)C(=CC(=C4O)OC)O)OC	QXNACSREWQXWCV-UHFFFAOYSA-N
DG50414	Isovelleral	37839	"Isovelleral; Iso-Velleral; 37841-91-1; (+)-Isovelleral; marasmane; CCRIS 1699; NSC 299922; UNII-475W04BXJ7; (1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde; MLS000517255; CHEBI:6070; CHEMBL518292; 475W04BXJ7; SMR000127505; BRN 2506661; NSC299922; Isovelleral, solid; cid_37839; GTPL6287; SCHEMBL15159483; BDBM61009; ZINC4098278; MFCD01735881; NCGC00247038-01; Cycloprop(e)indene-1a,2(1H)-dicarboxaldehyde, 3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aS-(1a-alpha,3a-beta,6a-beta,6b-alpha))-; C09692; M01901; Q27894435; (1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6, 6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde; (1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cycloprop[e]indene-1a,2-dicarbaldehyde; (1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarboxaldehyde; Cycloprop[e]indene-1a,2(1H)-dicarboxaldehyde, 3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aS,3aS,6aS,6bR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	299922	.	.	.	.	232.32	C15H20O2	34.1	434	2.4	17	0	2	2	"InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1"	C[C@]12C[C@]1(C(=C[C@H]3[C@@H]2CC(C3)(C)C)C=O)C=O	PJAAESPGJOSQGZ-DZGBDDFRSA-N
DG50415	2-[[4-[Bis(2-bromopropyl)amino]-2-tolyl]azo]benzoic acid	38312	"39669-49-3; 2-[[4-[BIS(2-BROMOPROPYL)AMINO]-2-TOLYL]AZO]BENZOIC ACID; UNII-5MXL56V9K8; CB-10252; 5MXL56V9K8; NSC240419; 2-[[4-[bis(2-bromopropyl)amino]-2-methylphenyl]diazenyl]benzoic acid; 2-((4-(Bis(2-bromopropyl)amino)-2-tolyl)azo)benzoic acid; CB 10252; EINECS 254-583-3; 2-({4-[Bis(2-bromopropyl)amino]-2-methylphenyl}diazenyl)benzoic acid; Azobenzene, 4-bis(2-bromopropyl)amino-2'-carboxy-2-methyl-; Benzoic acid, 2-(4-bis(2-bromopropyl)amino-1-(o-tolyl))azo-; CHEMBL1994998; DTXSID90960285; Benzoic acid, 2-[[4-[bis(2-bromopropyl)amino]-2-methylphenyl]azo]-; BENZOIC ACID, 2-(4-BIS(2-BROMOPROPYL)AMINO-2-METHYL)PHENYLAZO-; NSC 240419; NSC-240419; NCI60_001928; Q27262576; 2-[[4-[Bis-(2-bromopropyl)amino]-2-tolyl]azo]benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	240419	.	.	.	.	497.2	C20H23Br2N3O2	65.3	496	6.1	27	1	5	8	"InChI=1S/C20H23Br2N3O2/c1-13-10-16(25(11-14(2)21)12-15(3)22)8-9-18(13)23-24-19-7-5-4-6-17(19)20(26)27/h4-10,14-15H,11-12H2,1-3H3,(H,26,27)"	CC1=C(C=CC(=C1)N(CC(C)Br)CC(C)Br)N=NC2=CC=CC=C2C(=O)O	IUBPTOPNFAZJQA-UHFFFAOYSA-N
DG50416	"3,6-Diamino-2,7,10-trimethylacridinium chloride"	38475	"6441-73-2; Basic Yellow 5; 3,6-Diamino-2,7,10-trimethylacridinium chloride; UNII-07BP340B4T; 07BP340B4T; 2,7,10-trimethylacridin-10-ium-3,6-diamine;chloride; 3,6-diamino-2,7,10-trimethylacridin-10-ium chloride; 40451-58-9; 10-Methylacridinium Yellow; Patent Phosphine G; Aurophosphine G; Corioflavine G; Corioflavine R; Corioflavin GG; Flavophosphine R; Corioflavine GGR; Aurophosphine 4G; EINECS 229-224-9; 3,6-Diamino-2,7-dimethyl-10-methylacridinium chloride; ACRIDINIUM, 3,6-DIAMINO-2,7,10-TRIMETHYL-, CHLORIDE; DTXSID60960838; NSC73411; NSC 73411; NSC-73411; AKOS024340964; MCULE-7255220385; C.I. 46035; Acridinium,6-diamino-2,7,10-trimethyl-, chloride; Q27236293"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73411	.	.	.	.	287.79	C16H18ClN3	55.9	302	.	20	2	3	0	"InChI=1S/C16H17N3.ClH/c1-9-4-11-6-12-5-10(2)14(18)8-16(12)19(3)15(11)7-13(9)17;/h4-8H,1-3H3,(H3,17,18);1H"	CC1=CC2=CC3=C(C=C(C(=C3)C)N)[N+](=C2C=C1N)C.[Cl-]	ADAOOVVYDLASGJ-UHFFFAOYSA-N
DG50417	Triazinate	38777	"TRIAZINATE; 41191-04-2; Baker's Antifol soluble; NSC 139105; Baker's Antifolante; UNII-DD99Y262WC; TCMDC-137788; NSC139105; TZT; MLS002920470; DD99Y262WC; NSC-139105; BAF; NSC 139105; Soluble baker's antifol; 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-N,N-dimethylbenzamide;ethanesulfonic acid; Baker's triazine antifolate; Ethanesulfonic acid, compd.with 3-((2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)methyl)-N,N-dimethylben zamide (1:1); CHEMBL587564; SCHEMBL6456167; DTXSID70961492; CCG-35419; m-Toluamide, alpha-(2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazine-1(2H)-yl)phenoxy)-N,N-dimethyl-, ethanesulfonate; SMR001798060; Q27276340; Ethanesulfonic acid, compd. with 3-((2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)methyl)-N,N-dimethylbenzamide (1:1) (9CI); Ethanesulfonic acid,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]methyl]-N,N-dimethylbenzamide (1:1); Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)-phenoxy]-N,N-dimethyl-m-toluamide; Ethanesulfonic acid--3-{[2-chloro-4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenoxy]methyl}-N,N-dimethylbenzamide (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	139105	.	.	.	.	539	C23H31ClN6O5S	172	800	.	36	3	6	6	"InChI=1S/C21H25ClN6O2.C2H6O3S/c1-21(2)26-19(23)25-20(24)28(21)15-8-9-17(16(22)11-15)30-12-13-6-5-7-14(10-13)18(29)27(3)4;1-2-6(3,4)5/h5-11H,12H2,1-4H3,(H4,23,24,25,26);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC(=CC=C3)C(=O)N(C)C)Cl)N)N)C	HKPVIFTWECXNPY-UHFFFAOYSA-N
DG50418	13-Methoxydihydronitidine	38845	"13-Methoxydihydronitidine; Nitidine pseudomethanolate; 5,6-Dihydro-6-methoxynitidine; NSC146396; 41349-33-1; Nitidine, methoxydihydro-; NSC-146396; NSC 146396; BRN 0582405; NITIDINE, METHOXYDIHYDRO; [1,6-c]phenanthridine, 12,13-dihydro-2,3,13-trimethoxy-12-methyl-; Neuro_000080; (1,3)Benzodioxolo(5,6-c)phenanthridine, 12,13-dihydro-12-methyl-2,3,13-trimethoxy-; 12,13-Dihydro-12-methyl-2,3,13-trimethoxy-(1,3)benzodioxolo(5,6-c)phenanthridine; CHEMBL488612; SCHEMBL13103359; NSC147789; NSC166741; 2,3,13-trimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine; NSC-147789; NSC-166741; 2,3,13-Trimethoxy-12-methyl-12,13-dihydro[1,3]benzodioxolo[5,6-c]phenanthridine; NCI60_000994; (1,3)Benzodioxolo(5,6-c)phenanthridine, 12,13-dihydro-2,3,13-trimethoxy-12-methyl- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	146396	.	.	.	.	379.4	C22H21NO5	49.4	561	4.2	28	0	6	3	"InChI=1S/C22H21NO5/c1-23-21-13(6-5-12-7-19-20(8-14(12)21)28-11-27-19)15-9-17(24-2)18(25-3)10-16(15)22(23)26-4/h5-10,22H,11H2,1-4H3"	CN1C(C2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC)OC	SZEOMBMBHCBJJE-UHFFFAOYSA-N
DG50419	Ciclopirox olamine	38911	"Ciclopirox olamine; 41621-49-2; Ciclopirox ethanolamine; ciclopiroxolamine; Batrafen; Micoxolamina; Brumixol; Ciclopiroxolamin; Ciclopirox (olamine); Mycoster; HOE 296; Ciclochem; UNII-50MD4SB4AP; Ciclopirox ethanolamine salt (1:1); 2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one; MFCD00078997; 50MD4SB4AP; Ciclobirox Olamine; MLS003170863; HOE-296; NSC336278; 6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridone compound with 2-aminoethanol (1:1); 6-Cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one compound with 2-aminoethanol (1:1); NSC-336278; NCGC00017112-01; CAS-41621-49-2; Loprox (TN); DSSTox_CID_25583; DSSTox_RID_80979; DSSTox_GSID_45583; MLS002153867; 2-aminoethan-1-ol; 6-cyclohexyl-1-hydroxy-4-methyl-1,2-dihydropyridin-2-one; SR-05000001589; SMR001233223; EINECS 255-464-9; NSC 336278; Kopcycloamine; Dafnegin; RV4104A; Penlac nail lacquer; Prestwick_785; Ciclopirox olamine [USAN:USP:JAN]; Spectrum_000150; Ciclopirox Olamine,(S); 6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridone ethanolamine salt; 6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridone, 2-aminoethanol salt; Ciclopirox olamine- Bio-X; Ciclopirox Olamine USP/EP; 6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridon, 2-aminoethanol-salz [German]; 2(1H)-Pyridinone, 6-cyclohexyl-1-hydroxy-4-methyl-, compd. with 2-aminoethanol (1:1); 2-Aminoethanol compd. with 6-cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridinone (1:1); 6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridinone compd. with 2-aminoethanol (1:1); 6-Cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one, compound with 2-aminoethanol (1:1); SCHEMBL66960; KBioSS_000630; DivK1c_000705; SPECTRUM1500189; Ciclopirox olamine (JAN/USP); CHEMBL242580; DTXSID6045583; HMS502D07; HY-B0450A; KBio1_000705; KBio2_000630; KBio2_003198; KBio2_005766; NINDS_000705; HMS1569N03; HMS1920O09; HMS2091E16; HMS2096N03; HMS2232B06; HMS3656B16; HMS3713N03; Pharmakon1600-01500189; Tox21_110781; 6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridon, 2-aminoethanol-salz; CCG-38945; NSC756694; s3019; 6-Cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one 2-aminoethanol (1:1); AKOS015891685; Tox21_110781_1; Ciclopirox olamine, analytical standard; CS-4767; KS-5086; NSC-756694; 2(1H)-Pyridinone, 6-cyclohexyl-1-hydroxy-4-methyl-, compound with 2-aminoethanol (1:1); IDI1_000705; NCGC00017112-02; NCGC00017112-03; NCGC00017112-10; NCGC00094623-01; NCGC00094623-02; AC-14469; BC164302; Ciclopirox ethanolamine;Ciclopirox olamine; NCI60_002954; SY102087; FT-0602960; SW196923-4; 42C050; D01364; J10104; A825610; SR-05000001589-1; SR-05000001589-3; 2(1H)-Pyridinone, compd. with 2-aminoethanol (1:1); 2-aminoethanol; 6-cyclohexyl-1-hydroxy-4-methyl-pyridin-2-one; Ciclopirox olamine, European Pharmacopoeia (EP) Reference Standard; 6-Cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one 2-aminoethanol salt; Ciclopirox olamine, United States Pharmacopeia (USP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	336278	.	.	.	.	268.35	C14H24N2O3	86.8	335	.	19	3	4	2	"InChI=1S/C12H17NO2.C2H7NO/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;3-1-2-4/h7-8,10,15H,2-6H2,1H3;4H,1-3H2"	CC1=CC(=O)N(C(=C1)C2CCCCC2)O.C(CO)N	MBRHNTMUYWQHMR-UHFFFAOYSA-N
DG50420	"N,N-Dimethyl-p-(7-benzofurylazo)aniline"	39164	"NSC680515; MLS000756725; 4-(1-Benzofuran-7-yldiazenyl)-N,N-dimethylaniline; 42242-58-0; NSC-680515; SMR000529112; N-(4-(1-Benzofuran-7-yldiazenyl)phenyl)-N,N-dimethylamine; N,N-Dimethyl-p-(7-benzofurylazo)aniline; p-(7-Benzofurylazo)-N,N-dimethylaniline; ANILINE, p-(7-BENZOFURYLAZO)-N,N-DIMETHYL-; NCIStruc1_000796; NCIStruc2_001035; cid_39164; CHEMBL1410407; CHEMBL1522796; BDBM76588; CCG-36594; NCGC00014983; NCI680515; ZINC18068040; ZINC100133307; NCGC00014983-02; NCGC00098083-01; NCI60_028715; 4-(7-benzofuranylazo)-N,N-dimethylaniline; 7-(p-N,N-Dimethylaminophenylazo)benzofuran; [4-(benzofuran-7-ylazo)phenyl]-dimethyl-amine; 4-(Benzofuran-7-ylazo)-N,N-dimethylbenzenamine; 4-[(E)-benzofuran-7-ylazo]-N,N-dimethyl-aniline; 4-(1-benzofuran-7-yldiazenyl)-N,N-dimethyl-aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680515	.	.	.	.	265.31	C16H15N3O	41.1	337	4.2	20	0	4	3	"InChI=1S/C16H15N3O/c1-19(2)14-8-6-13(7-9-14)17-18-15-5-3-4-12-10-11-20-16(12)15/h3-11H,1-2H3"	CN(C)C1=CC=C(C=C1)N=NC2=CC=CC3=C2OC=C3	LHVRXAUETJRESN-UHFFFAOYSA-N
DG50421	Massoia lactone	39914	"Massoia lactone; 54814-64-1; Massoilactone; 2H-Pyran-2-one, 5,6-dihydro-6-pentyl-; 5,6-Dihydro-6-pentyl-2H-pyran-2-one; 2-pentyl-2,3-dihydropyran-6-one; 6-Pentyl-5,6-dihydro-2H-pyran-2-one; 5-hydroxy-2-decenoic acid lactone; (+/-)-Massoilactone; 5-Hydroxy-2-decenoic acid, delta-lactone; 5-Hydroxy-2-decenoic acid, lactone; 5-Hydroxy-2-decenoic acid delta-lactone; (R)-(-)-Massoilactone; C-10 massoia lactone; 5-HYDROXY-2-DECENOICACIDLACTONE; Massoy lactone; FEMA No. 3744; 2-decen-5-olide; EINECS 259-359-9; (R)-massoia lactone; C-10-Massoia lactone; 2-Deceno-delta-lactone; (.+/-.)-Massoilactone; 5-Hydroxy-2-decenoic acid, delta-lactone (natural); SCHEMBL1686964; CHEMBL1991946; FEMA 3744; DTXSID80866186; 6-pentyl-5,6-dihydropyran-2-one; HY-N7435; 6-pentyl-5,6-dihydro-pyran-2-one; NSC720841; 5-Hydroxy-2-decenoic acid D-lactone; NSC-720841; Massoia Lactone, natural, >=95%, FG; (6R)-6-pentyl-5,6-dihydropyran-2-one; NCI60_041415; 5-Hydroxy-2-decenoic acid .delta.-lactone; 6-Pentyl-5,6-dihydro-2H-pyran-2-one #; FT-0605071; FT-0620464; (R)-5,6-Dihydro-6-pentyl-2H-pyran-2-one; 5,6-Dihydro-6-pentyl-(R)-2H-Pyran-2-one; 5,6-Dihydro-6-pentyl-(6R)-2H-Pyran-2-one; 5,6-Dihydro-6-pentyl-(theta)-2H-Pyran-2-one; 5-Hydroxy-2-decenoic acid laquo deltaRaquo -lactone; Q6784821"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720841	.	.	.	.	168.23	C10H16O2	26.3	173	3.1	12	0	2	4	"InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3"	CCCCCC1CC=CC(=O)O1	NEDIAPMWNCQWNW-UHFFFAOYSA-N
DG50422	Fagaronine chloride	40304	"Fagaronine chloride; 52259-64-0 (chloride); 52259-64-0; 2-Hydroxy-3,8,9-trimethoxy-5-methylbenzo(c)phenanthridinium chloride; MLS002702529; NSC157995; NSC 157995; BENZO(c)PHENANTHRIDINIUM, 2-HYDROXY-3,8,9-TRIMETHOXY-5-METHYL-, CHLORIDE; SCHEMBL424548; CHEMBL282622; 3,8,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium-2-ol chloride; BDBM50478514; NSC-157995; SMR001566141; 3,8,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium-2-ol;chloride; Benzo[c]phenanthridinium,8,9-trimethoxy-5-methyl-, chloride (MF1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157995	.	.	.	.	385.8	C21H20ClNO4	51.8	489	.	27	1	5	3	"InChI=1S/C21H19NO4.ClH/c1-22-11-13-8-19(25-3)20(26-4)9-15(13)14-6-5-12-7-17(23)18(24-2)10-16(12)21(14)22;/h5-11H,1-4H3;1H"	C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)O)OC)OC)OC.[Cl-]	VVEPUJCLNRDIEQ-UHFFFAOYSA-N
DG50423	"2-(9-Hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetic acid"	40586	"NANAOMYCIN; 2-(9-Hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetic acid; MLS002702116; NSC267461; NSC-267461; SMR001565684; Neuro_000132; cid_40586; CHEMBL1212972; SCHEMBL18567076; BDBM80078; SMP2_000265; NCI60_002162; BRD-A86160188-001-01-8; 2-(9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g][2]benzopyran-3-yl)acetic acid; 2-(9-hydroxy-5,10-diketo-1-methyl-3,4-dihydro-1H-benz[g]isochromen-3-yl)acetic acid; (9-Hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-benzo[g]isochromen-3-yl)acetic acid; 2-[1-methyl-9-oxidanyl-5,10-bis(oxidanylidene)-3,4-dihydro-1H-benzo[g]isochromen-3-yl]ethanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	267461	.	.	.	.	302.28	C16H14O6	101	563	1.3	22	2	6	2	"InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)"	CC1C2=C(CC(O1)CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O	ZCJHPTKRISJQTN-UHFFFAOYSA-N
DG50424	Oxfendazole	40854	"Oxfendazole; 53716-50-0; Fenbendazole sulfoxide; Synanthic; OFDZ; Systamex; Repidose; Systemax; fenbendazole S-oxide; Oxfendazolum; Oxfendazol; Synanthic (Veterinary); RS-8858; 5-Phenylsulfinyl-2-carbomethoxyaminobenzimidazole; RS 8858; methyl [5-(phenylsulfinyl)-1H-benzimidazol-2-yl]carbamate; UNII-OMP2H17F9E; 5-(Phenylsulfinyl)-2-benzimidazolecarbamic acid methyl ester; Methyl 5-(phenylsulfinyl)-2-benzimidazolecarbamate; methyl N-[6-(benzenesulfinyl)-1H-benzimidazol-2-yl]carbamate; (5-(Phenylsulfinyl)-1H-benzimidazol-2-yl)carbamic acid methyl ester; Oxfendazole (USP/INN); OMP2H17F9E; CHEMBL42442; Methyl (5-phenylsulfinyl)-1H-benzimidazol-2-yl carbamate; CHEBI:35812; Carbamic acid, [5-(phenylsulfinyl)-1H-benzimidazol-2-yl]-, methyl ester; NSC-758943; NCGC00095157-04; [5-(Phenylsulfinyl)-1H-benzimidazol-2-yl]carbamic acid methyl ester; CARBAMIC ACID, (5-(PHENYLSULFINYL)-1H-BENZIMIDAZOL-2-YL)-, METHYL ESTER; DSSTox_CID_24112; DSSTox_RID_80103; DSSTox_GSID_44112; Methyl [5-(Phenylsulfinyl)benzimidazol-2-yl]carbamate; methyl N-[5-(benzenesulfinyl)-1H-benzimidazol-2-yl]carbamate; [5-(Phenylsulfinyl)benzimidazol-2-yl]carbamic Acid Methyl Ester; Oxfendazol [INN-Spanish]; Oxfendazolum [INN-Latin]; HOE 8105; CAS-53716-50-0; Oxfendazole [USAN:BAN:INN]; FBZ-SO; EINECS 258-714-5; Methyl 5-(phenylsulfinyl)-benzimidazol-2-carbamate; BRN 0761290; Benzelmin; Nanthic; CCRIS 9430; Oxfendazole-d3; N-[6-(benzenesulfinyl)-1H-benzimidazol-2-yl]carbamic acid methyl ester; Synanthic (TN); Oxfendazole [USAN:USP:INN:BAN]; methyl 5(6)-phenylsulfinyl-2-benzimidazolecarbamate; Fenbendazole sulphoxide; 2-Benzimidazolecarbamic acid, 5-(phenylsulfinyl)-, methyl ester; Spectrum2_001704; Spectrum3_001972; Oprea1_563224; SCHEMBL44121; BSPBio_003572; MLS004712073; Synanthic [veterinary] (TN); SPECTRUM1505296; SPBio_001688; SCHEMBL9818561; DTXSID9044112; KBio3_002947; HMS1922B08; HMS2090F19; HMS2093O16; HMS3655M14; HMS3715E09; Pharmakon1600-01505296; BCP09602; HY-B0291; Oxfendazole (Fenbendazole Sulfoxide); Tox21_113444; Tox21_302383; BDBM50300124; Carbamic acid, 5-(phenylsulfinyl)-1H-benzimidazol-2-yl-, methyl ester; CCG-39503; MFCD00801063; NSC758943; s1830; STK378905; Fenbendazole Sulphoxide (Oxfendazole); AKOS005448898; AKOS015918230; Tox21_113444_1; AC-8715; CCG-220984; DB11446; KS-5036; MCULE-2247044354; NSC 758943; NCGC00095157-01; NCGC00095157-02; NCGC00095157-03; NCGC00095157-05; NCGC00095157-06; NCGC00255714-01; H844; SMR001550468; Oxfendazole 100 microg/mL in Acetonitrile; SBI-0206760.P001; DB-052387; FT-0630662; O0391; SW199450-2; C21882; D05291; T72586; AB01275512-01; AB01275512_02; AB01275512_03; Oxfendazole, VETRANAL(TM), analytical standard; 716O500; A829749; A905222; SR-01000872713; Q-201525; Q7115199; SR-01000872713-1; BRD-A33447119-001-02-5; BRD-A33447119-001-03-3; BRD-A33447119-001-05-8; Oxfendazole, European Pharmacopoeia (EP) Reference Standard; methyl (6-(phenylsulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate; methyl 5-(phenylsulfinyl)-1H-benzo[d]imidazol-2-ylcarbamate; METHYL 6-(PHENYLSULFINYL)-1H-BENZIMIDAZOL-2-YLCARBAMATE; methyl 6-(phenylsulfinyl)-1H-benzo[d]imidazol-2-ylcarbamate; methyl N-[6-(phenylsulfinyl)-1H-benzimidazol-2-yl]carbamate; Methyl [5-(phenylsulfinyl)-1H-benzimidazol-2-yl]carbamate, 9CI; methyl N-[5-(benzenesulfinyl)-1H-1,3-benzodiazol-2-yl]carbamate; Oxfendazole, United States Pharmacopeia (USP) Reference Standard; Carbamic acid, [5-(phenylsulfinyl)-1H-benzimidazol-2-yl]-, methyl ester;; Carbamic acid, N-[6-(phenylsulfinyl)-1H-benzimidazol-2-yl]-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758943	.	.	.	.	315.3	C15H13N3O3S	103	428	2.3	22	2	5	4	"InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3	BEZZFPOZAYTVHN-UHFFFAOYSA-N
DG50425	2'-Deoxycoformycin	40926	"Co-V; Vidarbine; CO-Vidarabine; 2'-Deoxycoformycin; NSC218321; PD-ADI; Deaminase inhibitor (PD); Vira A deaminase inhibitor; Deaminase inhibitor; NSC 218321; CL 67310465; 53910-25-1; Niapent; SCHEMBL172758; CHEMBL360191; NSC247520; NSC-247520; NCI60_001818; AB01273933-01; (R)-3-(2-Deoxy-.beta.-D-erythro-pentofuranosyl)-3,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol; Imidazo[4,3]diazepin-8-ol, 3-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydro-, (R)-; Imidazo[4,3]diazepin-8-ol, 3-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-3,6,7,8- tetrahydro-, (R)-; Imidazo[4,3]diazepin-8-ol, 3-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydro-, (R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	218321	.	.	.	.	268.27	C11H16N4O4	112	356	-2.1	19	4	6	2	"InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6 ,7-,8 ,9 /m1/s1"	C1[C@H](C2=C(NC=N1)N(C=N2)C3CC(C(O3)CO)O)O	FPVKHBSQESCIEP-LDIRUYLGSA-N
DG50426	Acodazole hydrochloride	41445	"ACODAZOLE HYDROCHLORIDE; Acodazole HCl; 55435-65-9; UNII-6D7W9EAH22; EU 3120; Acodazole hydrochloride [USAN]; 6D7W9EAH22; NSC 305884; NSC-305884; Acetamide, N-methyl-N-(4-((7-methyl-1H-imidazo(4,5-f)quinolin-9-yl)amino)phenyl)-, monohydrochloride; EU-3120; Acodazole hydrochloride (USAN); N-Methyl-4'-((7-methyl-1H-imidazo(4,5-f)quinolin-9-yl)amino)acetanilide monohydrochloride; N-Methyl-N-(4-((7-methyl-1H-imidazo(4,5-f)quinolin-9-yl)amino)phenyl)acetamide HCl; NSC305884; SCHEMBL3953; CHEMBL2002735; 1H-Imidazo[4, acetamide deriv.; DTXSID40204000; D02757; Q27264571; Acetamide,5-f]quinolin-9-yl)amino]phenyl]-, monohydrochloride; Acetamide,N-methyl-N-[4-[(7-methyl-1H-imidazo[4,5-f]quinolin-9-yl)amino]phenyl]-,hydrochloride (1:1); N-methyl-N-[4-[(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)amino]phenyl]acetamide;hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305884	.	.	.	.	381.9	C20H20ClN5O	69.1	819	.	27	3	4	3	"InChI=1S/C20H19N5O.ClH/c1-12-10-18(19-16(23-12)8-9-17-20(19)22-11-21-17)24-14-4-6-15(7-5-14)25(3)13(2)26;/h4-11,23-24H,1-3H3;1H"	CC1=CC(=C2C(=CC=C3C2=NC=N3)N1)NC4=CC=C(C=C4)N(C)C(=O)C.Cl	SIEMBUZUHHIAFB-UHFFFAOYSA-N
DG50427	Nitazoxanide	41684	"NITAZOXANIDE; 55981-09-4; Alinia; 2-((5-nitrothiazol-2-yl)carbamoyl)phenyl acetate; Nitazoxamide; Daxon; Nitazoxanidum [INN-Latin]; Nitazoxanida [INN-Spanish]; 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate; Benzamide, 2-(acetyloxy)-N-(5-nitro-2-thiazolyl)-; [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate; 2-(Acetolyloxy)-N-(5-nitro-2-thiazolyl)benzamide; C12H9N3O5S; UNII-SOA12P041N; NSC 697855; NSC697855; NTZ; 2-Acetyloxy-N-[(5-nitro-2-thiazolyl)]benzamide; Nitazoxanide (Alinia, Annita); SOA12P041N; Nitazoxanida; 2-(Acetyloxy)-N-(5-nitro-2-thiazolyl)benzamide; [2-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] acetate; MFCD00416599; NSC-697855; NSC-760057; PH 5776; PH-5776; NCGC00090774-01; Nitazoxanid; Nitazoxanidum; Colufase; Cryptaz; Heliton; DSSTox_CID_13757; DSSTox_RID_79095; DSSTox_GSID_33757; Phavic-1; SMR000466367; Alinia (TN); AZT + Nitazoxanide; CAS-55981-09-4; EINECS 259-931-8; Nitazoxanide (USAN/INN); (2-((5-Nitro-2-thiazolyl)carbamoyl)phenyl)acetat; BRN 1225475; N-(5-Nitro-2-thiazolyl)salicylamide acetate (ester); Nitrazoxanide; Pacovanton; Dexidex; Kidonax; Nitazox; Paramix; Nitax; Toza; Nitazoxanide [USAN:INN:BAN]; Alinia(TM); N-(5-Nitrothiazol-2-yl)salicylamide acetate ester; o-(N-(5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate; Nitazoxanide- Bio-X; Salicylamide, N-(5-nitro-2-thiazolyl)-, acetate (ester); CPD000466367; NCIMech_000843; CHEMBL1401; Oprea1_263587; SCHEMBL40981; MLS000759492; MLS001424074; MLS006010127; DTXSID5033757; CHEBI:94807; Nitazoxanide, >=98% (HPLC); NTZ;NSC 697855; HMS2051L04; HMS3393L04; HMS3655M11; HMS3715F10; Pharmakon1600-01503843; BCP13918; HY-B0217; ZINC3956788; Tox21_111018; Tox21_201226; BDBM50075050; CCG-35851; MMV688991; NSC760057; STK395664; AKOS015915393; Tox21_111018_1; AC-1302; DB00507; KS-1160; MCULE-8701444531; NC00246; NCGC00090774-02; NCGC00090774-03; NCGC00090774-04; NCGC00090774-05; NCGC00258778-01; BN164151; NCI60_034935; FT-0601547; N1031; Nitrazoxanide 100 microg/mL in Acetonitrile; S1627; SW197626-2; 2-(5-nitrothiazol-2-ylcarbamoyl)phenyl acetate; D02486; J10428; AB00639988-07; AB00639988-09; AB00639988_10; AB00639988_11; 981N094; A830877; SR-01000759418; Q-201475; Q2943789; SR-01000759418-9; NTZ; 2-(Acetyloxy)-N-(5-nitro-2-thiazolyl)benzamide; Salicylamide, N-(5-nitro-2-thiazolyl)- acetate (ester); Z1514087129; Nitazoxanide, United States Pharmacopeia (USP) Reference Standard; acetic acid [2-[[(5-nitro-2-thiazolyl)amino]-oxomethyl]phenyl] ester; Zox"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697855	.	.	.	.	307.28	C12H9N3O5S	142	428	2	21	1	7	4	"InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)"	CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-]	YQNQNVDNTFHQSW-UHFFFAOYSA-N
DG50428	N-Trifluoroacetyladriamycin-14-valerate	41744	"N-Trifluoroacetyladriamycin-14-valerate; AD 32; Trifluoroacetyladriamycin-14-valerate; AD-32; MLS002703032; NSC246131; Adriamycin, 14-valerate; Valstar (TN) (Anthra); CHEMBL20225; SCHEMBL1652790; DTXSID50929555; BCP07842; AKOS015895664; NCGC00164738-02; NCI60_001970; AB01273977-01; 136816-53-0; 2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-{[5-hydroxy-6-methyl-4-(trifluoroacetamido)oxan-2-yl]oxy}-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl pentanoate; 2-Oxo-2-[2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(2,2,2-trifluoro-1-hydroxyethylidene)amino]hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl pentanoate; Pentanoic acid,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-.alpha.-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl ester, (2S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	246131	.	.	.	.	723.6	C34H36F3NO13	215	1350	4	51	5	16	11	"InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14 ,17 ,19-,22 ,27 ,33-/m0/s1"	CCCCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)NC(=O)C(F)(F)F)O	ZOCKGBMQLCSHFP-ZQUOIQDWSA-N
DG50429	Spiromustine	41945	"SPIROMUSTINE; Spirohydantoin mustard; 56605-16-4; NSC-172112; NCI172112; UNII-J3HB83X76Z; J3HB83X76Z; SHM; 3-(2-(Bis(2-chloroethyl)amino)ethyl)-5,5-pentamethylenehydantoin; 3-(2-(Bis(2-chloroethyl)amino)ethyl)-1,3-diazaspiro(4.5)decane-2,4-dione; NSC172112; NSC172112;NSC268497; 1,3-Diazaspiro(4.5)decane-2,4-dione, 3-(2-(bis(2-chloroethyl)amino)ethyl)-; 3-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione; Spiromustina; Spiromustina [Spanish]; Spiromustinum; Spiromustine [USAN:INN]; Spiromustinum [INN-Latin]; Spiromustina [INN-Spanish]; NSC 172112; BRN 0757144; Speratine; 3-(2-(Bis(2-chloroethyl)amino)ethyl)-1,3-diazaspiro[4.5]decane-2,4-dione; Spiromustine (USAN/INN); CHEMBL27114; SCHEMBL11648500; DTXSID20205171; HY-U00155; ZINC28761602; 2-[2-[bis(2-chloroethyl)amino]ethyl]-2,4-diazaspiro[4.5]decane-1,3-dione; CS-7196; NCI60_001387; D05910; 1,4-dione, 3-[2-[bis(2-chloroethyl)amino]ethyl]-; Q27281152; 1, {3-Diazaspiro[4.5]decane-2,4-dione,} {3-[2-[bis(2-chloroethyl)amino]ethyl]-}; 3-(2-[Bis(2-chloroethyl)amino]ethyl)-1,3-diazaspiro[4.5]decane-2,4-dione #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	172112	.	.	.	.	336.3	C14H23Cl2N3O2	52.6	380	2	21	1	3	7	"InChI=1S/C14H23Cl2N3O2/c15-6-8-18(9-7-16)10-11-19-12(20)14(17-13(19)21)4-2-1-3-5-14/h1-11H2,(H,17,21)"	C1CCC2(CC1)C(=O)N(C(=O)N2)CCN(CCCl)CCCl	QNKJFXARIMSDBR-UHFFFAOYSA-N
DG50430	2-(4-Chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran	42460	"2-(4-Chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran; NSC667224; 57544-19-1; BRN 1394782; 2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-chromene; 2H-1-BENZOPYRAN, 2-(4-CHLOROPHENYL)-8-METHOXY-3-NITRO-; CHEMBL2005842; DTXSID30973117; NSC-667224; NCI60_023398; (2-(4-Chlorophenyl)-8-methoxy-2H-chromen-3-yl)(hydroxy)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667224	.	.	.	.	317.72	C16H12ClNO4	64.3	442	4.1	22	0	4	2	"InChI=1S/C16H12ClNO4/c1-21-14-4-2-3-11-9-13(18(19)20)15(22-16(11)14)10-5-7-12(17)8-6-10/h2-9,15H,1H3"	COC1=CC=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl	QPWTVCSDBXVHHT-UHFFFAOYSA-N
DG50431	"Acridine, 9,9'-octamethylenedi(imino)bis-"	42559	"NSC219734; 57780-57-1; ACRIDINE, 9,9'-OCTAMETHYLENEDI(IMINO)BIS-; NSC-219734; NSC 219734; BRN 0503752; N,N'-Di(9-acridinyl)-1,8-diaminooctane; N,N'-di(acridin-9-yl)octane-1,8-diamine; N,N'-Bis-(9-acridinyl)-1,8-octanediamine; 1,8-Octanediamine, N,N'-di-9-acridinyl-; NCIMech_000402; CHEMBL43079; SCHEMBL13856923; DTXSID50206474; CCG-35574; N,N'-Octamethylenebis(9-acridinamine); NCI60_001828; N~1~,N~8~-Di(9-acridinyl)-1,8-octanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	219734	.	.	.	.	498.7	C34H34N4	49.8	596	9.3	38	2	4	11	"InChI=1S/C34H34N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30-20-10-6-16-26(30)33)2-4-14-24-36-34-27-17-7-11-21-31(27)38-32-22-12-8-18-28(32)34/h5-12,15-22H,1-4,13-14,23-24H2,(H,35,37)(H,36,38)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCCCCNC4=C5C=CC=CC5=NC6=CC=CC=C64	NEAXIRVWYPBDID-UHFFFAOYSA-N
DG50432	Diaziquone	42616	"diaziquone; 57998-68-2; Aziridinylbenzoquinone; Diaziquonum; CI-904; AZQ; NSC 182986; CI 904; NSC-182986; UNII-FQL5EUP13W; 2,5-Diaziridinyl-3,6-bis(carboethoxyamino)-1,4-benzoquinone; 3,6-Diaziridinyl-2,5-bis(carboethoxyamino)-1,4-benzoquinone; NSC182986; FQL5EUP13W; 3,6-Bis(carboxyamino)-2,5-diaziridinyl-1,4-benzoquinone; CHEBI:90185; Diethyl 2,5-bis-(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-dicarbamate; 1,4-Cyclohexadiene-1,4-dicarbamic acid, 2,5-bis(1-aziridinyl)-3,6-dioxo-, diethyl ester; Aziridinylquinone; Carbamic acid, (2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis-, diethyl ester; Diaziquona; Diaziquone [USAN:INN]; Diaziquonum [INN-Latin]; Diaziquona [INN-Spanish]; diethyl (2,5-di(aziridin-1-yl)-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)dicarbamate; BRN 1333277; diazicuona; Diaziquon; Prestwick_54; Diaziquone (USAN/INN); NCIMech_000556; SCHEMBL4975; 5-20-01-00072 (Beilstein Handbook Reference); CHEMBL36016; DTXSID40206721; ZINC8214540; CCG-35937; NSC 182968; Carbamic acid, (2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadien-1,4-diyl)bis-,diethyl ester; ethyl N-[2,5-bis(aziridin-1-yl)-4-(ethoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate; NCI60_001523; D03774; Q27162386; 3,6-diaziridinyl-2,5-bis(ethoxycarbonylamino)-1,4-benzoquinone; 1,4-dicarbamic acid, 2,5-bis(1-aziridinyl)-3,6-dioxo-, diethyl ester; 2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-dicarbamic acid, diethyl ester; diethyl [2,5-bis(aziridin-1-yl)-3,6-dioxocyclohexa-1,4-diene-1,4-diyl]biscarbamate; [2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]bis-carbamicacid diethyl ester; Carbamic acid,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]bis-, diethyl ester; ethyl N-[2,5-bis(aziridin-1-yl)-4-(ethoxycarbonylamino)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	182986	.	.	.	.	364.35	C16H20N4O6	117	671	0	26	2	8	8	"InChI=1S/C16H20N4O6/c1-3-25-15(23)17-9-11(19-5-6-19)14(22)10(18-16(24)26-4-2)12(13(9)21)20-7-8-20/h3-8H2,1-2H3,(H,17,23)(H,18,24)"	CCOC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)OCC)N3CC3	WVYXNIXAMZOZFK-UHFFFAOYSA-N
DG50433	"Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-, 3-oxide"	42640	"58131-57-0; NSC 207895; NSC-207895; NSC207895; NSC 179940; XI-006; Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-, 3-oxide; MLS000756495; 4-(4-Methyl-1-piperazinyl)-7-nitro-benzofurazan 3-oxide; BENZOFURAZAN, 7-(4-METHYL-1-PIPERAZINYL)-4-NITRO-, 1-OXIDE; 4-(4-methylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium; SMR000528763; NSC 207895 (XI-006); NSC-207895 (XI-006); 4-(4-methyl-1-piperazinyl)-7-nitro-2,1,3-benzoxadiazole, 3-oxide; WLN: T56 BNONJ BO FNW I- AT6N DNTJ D1; 7-(4-Methyl-1-piperazinyl)-4-nitrobenzofurazan 1-oxide; B2368; NCIStruc1_000831; NCIStruc2_001869; cid_42640; MLS006011023; SCHEMBL8738959; CHEMBL1608727; BDBM51256; DTXSID50206858; HMS2861M23; XI006; ZINC5180959; NSC179940; s2678; BCP9000997; NSC-179940; NCGC00246958-01; NCGC00246958-02; NCGC00246958-03; HY-14714; NCI60_001741; BCP0726000315; A4209; CS-0003525; NSC-207895 - XI-006; NSC 207895 (XI-006); X7598; 7-(4-methylpiperazino)-4-nitro-1-oxido-benzofurazan-1-ium; 2,1,3-Benzoxadiazole, 4-(4-methyl-1-piperazinyl)-7-nitro-, 3-oxide; 2,1,3-benzoxadiazole, 7-(4-methyl-1-piperazinyl)-4-nitro-, 1-oxide; 4-(4-methyl-1-piperazinyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium; 7-(4-methylpiperazin-1-yl)-4-nitrobenzo[c][1,2,5]oxadiazole 1-oxide; 4-(4-methylpiperazin-1-yl)-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium; 4-(hydroxy(oxido)amino)-7-(4-methyl-1-piperazinyl)-2,15,3-benzoxadiazol-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	179940	.	.	.	.	279.25	C11H13N5O4	104	370	1.2	20	0	7	1	"InChI=1S/C11H13N5O4/c1-13-4-6-14(7-5-13)9-3-2-8(15(17)18)10-11(9)16(19)20-12-10/h2-3H,4-7H2,1H3"	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N
DG50434	Elliptinium acetate	42722	"ELLIPTINIUM ACETATE; Celiptium; 58337-35-2; UNII-H9B41234P4; NSC-264137; Ellipticine analog; Elliptinium;H9M2E; H9B41234P4; NMHE; Ellipticine acetomethylate; 9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium acetate; Elliptinii acetas; Acetato de eliptinio; Acetate d'elliptinium; Elliptinii acetas [INN-Latin]; Elliptinium acetate [INN:BAN]; Acetate d'elliptinium [INN-French]; Acetato de eliptinio [INN-Spanish]; EINECS 261-216-0; N2-Methylhydroxyellipticinium acetate; N-2-Methyl-9-hydroxyellipticinium acetate; 9-Hydroxy-2-methylellipticinium acetate; SCHEMBL7762; H9M2E; CHEMBL24078; DTXSID10207068; 9-Hydroxy-2,5,11-trimethyl-6H-pyrido(4,3-b)carbazolium acetate; 6H-Pyrido(4,3-b)carbazolium, 9-hydroxy-2,5,11-trimethyl-, acetate; NSC264137; NSC 264137; Q27279800; 6H-Pyrido[4, 9-hydroxy-2,5,11-trimethyl-acetate (salt); 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol;acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	264137	.	.	.	.	336.4	C20H20N2O3	80	426	.	25	2	3	0	"InChI=1S/C18H16N2O.C2H4O2/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18;1-2(3)4/h4-9,21H,1-3H3;1H3,(H,3,4)"	CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C)C.CC(=O)[O-]	BOMZMNZEXMAQQW-UHFFFAOYSA-N
DG50435	Dinaline	42725	"Dinaline; Dinalin; 58338-59-3; Dianiline; 4-Amino-N-(2-aminophenyl)benzamide; NSC-328786; UNII-RG9G4Z82PY; 4-Amino-N-(2-amino-phenyl)-benzamide; BENZAMIDE, 4-AMINO-N-(2-AMINOPHENYL)-; NSC328786; RG9G4Z82PY; MLS001209873; NCGC00160373-01; SMR000504768; DSSTox_CID_26114; DSSTox_RID_81350; DSSTox_GSID_46114; Dinaline [French]; Dinalinum [Latin]; Dinaline [INN]; Dinalina [Spanish]; Dinalina; Dinalinum; 2',4-Diaminobenzanilide; Dinalin [INN]; CAS-58338-59-3; CCRIS 4383; SR-01000357428; GOE 1734; 4-Amino-N-(2'-aminophenyl)benzamide; NSC 328786; BRN 0653440; Goe-1734; AAPBA; 4-Amino-N-(2-aminophenyl)-benzamide; NCIMech_000549; Oprea1_155945; Oprea1_500351; SCHEMBL93636; cid_42725; ZINC1310; CHEMBL1351761; DTXSID3046114; BDBM115054; HMS2830B20; Tox21_111769; CCG-35683; AKOS000634932; N-(2-aminophenyl)-4-azanyl-benzamide; Tox21_111769_1; MCULE-2929381524; NCGC00160373-02; NCI60_002863; PD-104208; SR-01000357428-1; SR-01000357428-3; Q27288108"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328786	.	.	.	.	227.26	C13H13N3O	81.1	261	1.4	17	3	3	2	"InChI=1S/C13H13N3O/c14-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(12)15/h1-8H,14-15H2,(H,16,17)"	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)N	QGMGHALXLXKCBD-UHFFFAOYSA-N
DG50436	"N,N'-Bis(9-acridinyl)-1,6-hexanediamine"	42875	"N,N'-Bis(9-acridinyl)-1,6-hexanediamine; NSC 210733; 58903-52-9; N,N'-di(acridin-9-yl)hexane-1,6-diamine; UNII-9GJ14HS3E3; 9GJ14HS3E3; NSC219733; NSC 219733; BRN 0503229; N,N'-Di(9-acridinyl)-1,6-diaminohexane; 1,6-Hexanediamine, N,N'-di-9-acridinyl-; ACRIDINE, 9,9'-HEXAMETHYLENEBIS(IMINO)BIS-; CHEMBL38584; SCHEMBL6033155; DTXSID90207647; 1,6-bis-(9-acridinylamino)hexane; NSC-219733; NCI60_001827; N,N'-Di-9-acridinyl-1, 6-hexanediamine; N~1~,N~6~-Di(9-acridinyl)-1,6-hexanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	219733	.	.	.	.	470.6	C32H30N4	49.8	569	8.2	36	2	4	9	"InChI=1S/C32H30N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3-10,13-20H,1-2,11-12,21-22H2,(H,33,35)(H,34,36)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCCNC4=C5C=CC=CC5=NC6=CC=CC=C64	FZSBSJDISGQMLW-UHFFFAOYSA-N
DG50438	6'-Bromodihydropapaverine	43029	"6'-Bromodihydropapaverine; 41823-67-0; NSC629156; 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline; 1-(6'-Bromo-3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinoline; CHEMBL1985616; DTXSID90194629; NSC-629156; 1-((2-Bromo-4,5-dimethoxyphenyl)methyl)-3,4-dihydro-6,7-dimethoxyisoquinoline; NCI60_009468; 1-(2-Bromo-4,5-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxyisoquinoline; 1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinoline; 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629156	.	.	.	.	420.3	C20H22BrNO4	49.3	488	3.8	26	0	5	6	"InChI=1S/C20H22BrNO4/c1-23-17-8-12-5-6-22-16(14(12)10-19(17)25-3)7-13-9-18(24-2)20(26-4)11-15(13)21/h8-11H,5-7H2,1-4H3"	COC1=C(C=C2C(=C1)CCN=C2CC3=CC(=C(C=C3Br)OC)OC)OC	VTMKNFUOXXPXJN-UHFFFAOYSA-N
DG50439	"Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide"	43795	"MLS003115152; 7-(Benzylpiperazinyl)-4-nitrobenzofuroxan; 61785-84-0; BENZOFURAZAN, 7-(4-BENZYL-1-PIPERAZINYL)-4-NITRO-, 1-OXIDE; SMR001830735; Benzofurazan, 4-nitro-7-[4-(phenylmethyl)-1-piperazinyl]-, 1-oxide; NSC 228099; NSC228099; 7-(4-Benzyl-1-piperazinyl)-4-nitrobenzofurazan 1-oxide; Benzofuran, 4-nitro-7-(4-(phenylmethyl)-1-piperazinyl)-, 1-oxide; cid_43795; CHEMBL1869423; BDBM93557; DTXSID60210784; ZINC61860584; 4-(4-benzylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium; NSC-228099; WLN: T56 BNONJ BO FNW I- AT6N DNTJ DR D1; 7-(4-benzylpiperazino)-4-nitro-1-oxido-benzofurazan-1-ium; 7-nitro-3-oxidanidyl-4-[4-(phenylmethyl)piperazin-1-yl]-2,1,3-benzoxadiazol-3-ium; 7-nitro-3-oxido-4-[4-(phenylmethyl)-1-piperazinyl]-2,1,3-benzoxadiazol-3-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	228099	.	.	.	.	355.3	C17H17N5O4	104	490	2.7	26	0	7	3	"InChI=1S/C17H17N5O4/c23-21(24)14-6-7-15(17-16(14)18-26-22(17)25)20-10-8-19(9-11-20)12-13-4-2-1-3-5-13/h1-7H,8-12H2"	C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C4=NO[N+](=C34)[O-])[N+](=O)[O-]	HXSYYCOFWSTFAE-UHFFFAOYSA-N
DG50440	Yoronomycin	43854	"SEN-136A; NSC368697; 61932-77-2; Yoronomycin; BRN 4336770; Benzanthraceae derivative; Benz(a)anthracene-1,7,12(2H)-trione, 3,4,4a,12b-tetrahydro-2,3,4a,8, 12b-pentahydroxy-3-methyl-; CHEMBL1967268; DTXSID20977482; NSC-368697; 2,3,4a,8,12b-pentahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione; NCI60_003392; 2,3,4a,8,12b-Pentahydroxy-3-methyl-3,4,4a,12b-tetrahydrotetraphene-1,7,12(2H)-trione; 2,3,8,12b,4a-Pentahydroxy-3-methyl-2,3,4,12b,4a-pentahydrobenzo[2,1-a]anthracene-1,7,12-trione; Benz[a]anthracene-1,12(12b-H)-trione, 2,3,4,4a-tetra- hydro-2,3,4a,8,12a-pentahydroxy-3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	368697	.	.	.	.	372.3	C19H16O8	152	828	-0.7	27	5	8	0	"InChI=1S/C19H16O8/c1-17(25)7-18(26)6-5-9-12(19(18,27)16(24)15(17)23)14(22)8-3-2-4-10(20)11(8)13(9)21/h2-6,15,20,23,25-27H,7H2,1H3"	CC1(CC2(C=CC3=C(C2(C(=O)C1O)O)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O	TVRZORMBTKRMAO-UHFFFAOYSA-N
DG50441	Triciribine phosphate	43860	"TRICIRIBINE PHOSPHATE; TCN-P; 61966-08-3; NSC-280594; UNII-5L5GE3DV88; Triciribine phosphate [USAN]; Pentaazaacenaphthylene-5' phosphate ester; 5L5GE3DV88; PHOSPHATE SALT OF TRICYCLIC NUCLEOSIDE; Triciribine phosphate (USAN); VQD-002; Tricirbine Phosphate; C13H17N6O7P; NSC 280594; NSC280594; triciribine-phosphate; SCHEMBL4541; Triciribine-5'-monophosphate; 3-Amino-1,5-dihydro-5-methyl-1-beta-D-ribofuranosyl-1,4,5,6,8-pentaazaacenaphthylene 5'-(dihydrogen phosphate); Methyl3-amino-5-methylbenzoate; CHEMBL462018; DTXSID30210993; ZINC3916663; 2766AH; BDBM50422306; DB14636; Triciribine phosphate (NSC-280594); NCGC00346450-02; 1,4,5,6,8-Pentaazaacenaphthylen-3-amine, 1,5-dihydro-5-methyl-1-(5-O-phosphono-.beta.-D-ribofuranosyl)-; 1,4,5,6,8-Pentaazaacenaphthylen-3-amine, 1,5-dihydro-5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-; BCP0726000310; D06221; J-525061; Q27262513; [(2R,3S,4R,5R)-5-[amino(methyl)[ ]yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate; TCN-monophosphate; ; ; NSC-280594; ; ; 1,4,5,6,8-Pentaazaacenaphthylene-3-amino-1,5-dihydro-5-methyl-1-beta-D-ribofuranosyl 5'-phosphate ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	280594	.	.	.	.	400.28	C13H17N6O7P	189	663	-3.3	27	5	11	4	"InChI=1S/C13H17N6O7P/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(21)8(20)6(26-13)3-25-27(22,23)24/h2,4,6,8-9,13,20-21H,3H2,1H3,(H2,14,17)(H2,22,23,24)/t6-,8-,9-,13-/m1/s1"	CN1C2=NC=NC3=C2C(=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C(=N1)N	URLYINUFLXOMHP-HTVVRFAVSA-N
DG50442	"Carbamic acid, (5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(a)heptalen-7-yl)-, ethyl ester, (S)-"	44567	"63620-51-9; Carbamic acid, (5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(a)heptalen-7-yl)-, ethyl ester, (S)-; NSC249278; NSC 249278; N-(Ethoxycarbonyl)deacetylthiocolchicine; BRN 3181473; CHEMBL19671; DTXSID30213000; ZINC5409784; NSC813205; NSC-249278; NSC-813205; NCI60_001991; (S)-[5,7,9-TETRAHYDRO-1,2,3-TRIMETHOXY-10-(METHYLTHIO)-9-OXOBENZO[A]HEPTALEN-7-YL]CARBAMIC ACID, ETHYL ESTER; Carbamic acid,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, ethyl ester, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	249278	.	.	.	.	445.5	C23H27NO6S	108	776	2.5	31	1	7	7	"InChI=1S/C23H27NO6S/c1-6-30-23(26)24-16-9-7-13-11-18(27-2)21(28-3)22(29-4)20(13)14-8-10-19(31-5)17(25)12-15(14)16/h8,10-12,16H,6-7,9H2,1-5H3,(H,24,26)/t16-/m0/s1"	CCOC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC	SMEGTTUCKYOLLP-INIZCTEOSA-N
DG50443	"N-(2,5-Dimethylphenyl)-2-hydroxy-3-nitrobenzamide"	45953	"N-(2,5-Dimethylphenyl)-2-hydroxy-3-nitrobenzamide; 63981-16-8; CHEMBL464535; BENZAMIDE, N-(2,5-DIMETHYLPHENYL)-2-HYDROXY-3-NITRO-; 2',5'-Salicyloxylidide, 3-nitro-; NSC82029; 2', 3-nitro-; SCHEMBL7161422; DTXSID50213880; BDBM50274867; NSC 82029; NSC-82029; NCI60_041801; Benzamide,5-dimethylphenyl)-2-hydroxy-3-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82029	.	.	.	.	286.28	C15H14N2O4	95.2	396	3.5	21	2	4	2	"InChI=1S/C15H14N2O4/c1-9-6-7-10(2)12(8-9)16-15(19)11-4-3-5-13(14(11)18)17(20)21/h3-8,18H,1-2H3,(H,16,19)"	CC1=CC(=C(C=C1)C)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O	ZHSZKAUBTWMIHX-UHFFFAOYSA-N
DG50444	"Benzamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-"	46151	"NSC33410; 63989-75-3; N-Benzoyl-deacetylcolchicine; N-Benzoyl tmca methyl ether; Colchicine, N-benzoyl-N-deacetyl-; N-Benzoyl trimethyl colchicinic acid methyl ether; BRN 3184511; COLCHICINE, N-DEACETYL-N-BENZOYL-; N-Benzoyltrimethylcolchicinsaeuremethylaether; Benzamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-; 4-14-00-00952 (Beilstein Handbook Reference); Colchicinic acid, methyl ether; N-Deacetyl-N-benzoylcolchicine; CHEMBL286489; ZINC4769606; NSC 33410; NSC-33410; COLCHICINE, N-BENZOYL-DEACETYL; N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide; NCI60_002924; Colchicinic acid, N-benzoyltrimethyl-, methyl ether; Benzamide, N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33410	.	.	.	.	461.5	C27H27NO6	83.1	855	2.7	34	1	6	6	"InChI=1S/C27H27NO6/c1-31-22-13-11-18-19(15-21(22)29)20(28-27(30)16-8-6-5-7-9-16)12-10-17-14-23(32-2)25(33-3)26(34-4)24(17)18/h5-9,11,13-15,20H,10,12H2,1-4H3,(H,28,30)/t20-/m0/s1"	COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC=CC=C4	XTSSXTWGEJTWBM-FQEVSTJZSA-N
DG50445	Aminoanfol	46855	"Aminoanfol; 4-Aminopteroylaspartic acid; 25312-31-6; 2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanedioic acid; (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanedioic acid; 4-Amino pteroylaspartic acid; NSC98535; NSC 98535; NSC-98535; L-Aspartic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)- (9CI); L-Aspartic acid,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-; Aspartic acid,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, L-; Aspartic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-, L- (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98535	.	.	.	.	426.4	C18H18N8O5	219	659	-2.3	31	6	12	8	"InChI=1S/C18H18N8O5/c19-14-13-15(26-18(20)25-14)22-7-10(23-13)6-21-9-3-1-8(2-4-9)16(29)24-11(17(30)31)5-12(27)28/h1-4,7,11,21H,5-6H2,(H,24,29)(H,27,28)(H,30,31)(H4,19,20,22,25,26)"	C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N	ODLOSKQDGGOAJH-UHFFFAOYSA-N
DG50446	Forskolin	47936	"forskolin; Colforsin; 66575-29-9; Coleonol; colforsina; colforsine; colforsinum; Boforsin; Coleonolk; UNII-1F7A44V6OU; HL 362; 7beta-Acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one; (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate; L 75 1362B; C22H34O7; (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate; CHEMBL52606; 1F7A44V6OU; CHEBI:42471; HL-362; MFCD00082317; NSC375489; [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate; 66428-89-5; NCGC00024996-02; L-751362B; DSSTox_CID_20484; DSSTox_RID_79500; DSSTox_GSID_40484; 1H-Naphtho(2,1-b)pyran-1-one, dodecahydro-5-(acetyloxy)-3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-alpha))-; Colforsine [French]; Colforsinum [Latin]; Colforsina [Spanish]; ForsLean; Colforsin [USAN:INN]; 1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-; FOK; SMR000471881; CAS-66575-29-9; EINECS 266-410-9; NSC 357088; NSC 375489; Ocufors; Timsaponin-C; NSC-357088; NSC-375489; Forskolin- Bio-X; Forskolin - 10%; Forskolin - 20%; Forskolin - 40%; Forskolin 20.0%; Colforsin (USAN/INN); forskolin/ rolipram mixture; MolMap_000021; 7-beta-Acetoxy-8,13-epoxy-1-alpha,6-beta,9-alpha-trihydroxylabd-14-en-11-one; SCHEMBL4928; (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-Dodecahydro-5,6,10,10b-tetrahydroxy-3,4a,7,7,10a-pentamethyl-3-vinyl-1H-naphtho(2,1-b)pyran-1-one 5-acetate; 1H-Naphtho(2,1-b)pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-; cid_47936; MLS001066384; MLS001333255; MLS001333256; MLS002172462; MLS002695942; Forskolin, analytical standard; Forskohlii Root Extract (ForsLean)(20% forskohlin); REGID_for_CID_47936; GTPL5190; DTXSID8040484; BCBcMAP01_000132; OHCQJHSOBUTRHG-KGGHGJDLSA-; AOB6380; Bio1_000443; Bio1_000932; Bio1_001421; HMS2235C17; HMS3267I16; HMS3412G19; HMS3676G19; ZINC3977779; Tox21_110940; Tox21_302399; BDBM50010261; s2449; AKOS024456384; Tox21_110940_1; ACN-035218; AM81249; CCG-268774; CS-1454; DB02587; LMPR0104030004; SMP1_000128; NCGC00024996-03; NCGC00024996-04; NCGC00024996-05; NCGC00024996-06; NCGC00024996-07; NCGC00024996-34; NCGC00177971-03; NCGC00255526-01; 1H-Naphtho(2,1-b)pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R-(3alpha,4abeta,5beta,6beta,6aalpha,10alpha,10abeta,10balpha))-; 5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho(2,1-b)pyran-1-one; AC-33150; AS-17443; BF164487; HY-15371; XF165210; XF165211; XF165212; F0855; L-75-1362B; M-410; V0151; Y0448; C09076; D03584; MLS-0318096.0001; A850885; Q412747; SR-01000597378; Forskolin, For use in molecular biology applications; Q-200888; SR-01000597378-1; BRD-K09602097-001-04-5; Forskolin, from Coleus forskohlii, >=98% (HPLC), powder; Forskolin, United States Pharmacopeia (USP) Reference Standard; (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-dodecahydro-1H-naphtho[2,1-b]pyran-5-yl acetate; [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate; [3R-(3<alpha,4abeta,5beta,6beta,6aalpha,10alpha,10abeta,10balpha)]-5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one; [3R-(3 ,4a ,5 ,6 ,6a ,10 ,10a ,10b )]-5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one; [3R-(3a,4ab,5b,6b,6aa,10a,10ab,10ba)]-5-(Acetyloxy)-3-e thenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	375489	.	.	.	.	410.5	C22H34O7	113	747	1	29	3	7	3	"InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1"	CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O	OHCQJHSOBUTRHG-KGGHGJDLSA-N
DG50447	Dioxadet	48858	"Dioxadet; UNII-3NE0TV9SZS; 3NE0TV9SZS; 67026-12-4; 2,2-Dimethyl-5-(4,6-diaziridinyl-2-s-triazinylamino)-m-dioxane-5-methanol; NSC275656; s-Triazine, 4,6-diaziridinyl-2-(2,2-dimethyl-5-hydroxymethyl-m-dioxan-5-ylamino)-; NSC 275656; BRN 0577461; 5-equatorial-((4,6-Bis(1-aziridinyl)-s-triazin-2-yl)amino)-2,2-dimethyl-m-dioxane-5-methanol; SCHEMBL9452629; CHEMBL2003457; DTXSID30217245; ZINC1562567; NSC-275656; [5-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2,2-dimethyl-1,3-dioxan-5-yl]methanol; m-Dioxane-5-methanol, 5-equatorial-((4,6-bis(1-aziridinyl)-s-triazin-2-yl)amino)-2,2-dimethyl; NCI60_002242; 2,6-diaziridinyl-2-s-triazinylamino)-m-dioxane-5-methanol; 1, 5-[[4,6-bis(1-aziridinyl)-1,3,5-triazin-2-yl]amino]-2,2-dimethyl-; m-Dioxane-5-methanol,2-dimethyl-5-(4,6-diaziridinyl-2-s-triazinylamino)-; WLN: T6O COTJ B1 B1 E1Q EM- BT6N CN ENJ D- AT3NTJ& F- AT3NTJ; 2,4-bis-(aziridinyl)-6-(2,2-dimethyl-5-oxymethyl-1,3-dioxan-5-yl)amino-1,3,5-triazine; m-Dioxane-5-methanol, 2,2-dimethyl-5-(4,6-diaziridinyl-2-S-triazinylamino)-; s-Triazine,6-diaziridinyl-2-(2,2-dimethyl-5-hydroxymethyl-m-dioxan-5-ylamino)-; (5-((4,6-Di(1-aziridinyl)-1,3,5-triazin-2-yl)amino)-2,2-dimethyl-1,3-dioxan-5-yl)methanol; 1,3-Dioxane-5-methanol, 5-{[4,6-bis(1-aziridinyl)-1,3,5-triazin-2-yl]amino}-2,2-dimethyl-; 2,4-bis(1-aziridinyl)-6-(2,2-dimethyl-5-hydroxymethyl-1,3-dioxan-5-yl)amino-1,3,5-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	275656	.	.	.	.	322.36	C14H22N6O3	95.4	412	0.1	23	2	9	5	"InChI=1S/C14H22N6O3/c1-13(2)22-8-14(7-21,9-23-13)18-10-15-11(19-3-4-19)17-12(16-10)20-5-6-20/h21H,3-9H2,1-2H3,(H,15,16,17,18)"	CC1(OCC(CO1)(CO)NC2=NC(=NC(=N2)N3CC3)N4CC4)C	QKBGEGKCGLXDSG-UHFFFAOYSA-N
DG50448	"1,1,2,2-Cyclohex-4-enetetracarbonitrile, 4,5-dimethyl-"	50316	"NSC659167; 1,1,2,2-CYCLOHEX-4-ENETETRACARBONITRILE, 4,5-DIMETHYL-; 69155-29-9; 4,5-Dimethyl-4-cyclohexene-1,1,2,2-tetracarbonitrile; BRN 2618867; 1,2-Dimethyl-4,4,5,5-cyclohex-1-enetetracarbonitrile; 4,5-Dimethyl-1,1,2,2-cyclohex-4-enetetracarbonitrile; 4,5-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile; 4-09-00-03795 (Beilstein Handbook Reference); CHEMBL1990976; DTXSID70219208; ZINC5457044; NSC-659167; NCI60_020833; 4,5-Dimethyl-4-cyclohexen-1,1,2,2-tetracarbonitril"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659167	.	.	.	.	210.23	C12H10N4	95.2	473	0.2	16	0	4	0	"InChI=1S/C12H10N4/c1-9-3-11(5-13,6-14)12(7-15,8-16)4-10(9)2/h3-4H2,1-2H3"	CC1=C(CC(C(C1)(C#N)C#N)(C#N)C#N)C	CKESBCLFVFLERD-UHFFFAOYSA-N
DG50449	"2-Nitronaphtho(2,1-b)furan"	50354	"2-Nitronaphtho(2,1-b)furan; 69267-51-2; CHEMBL7174; NAPHTHO(2,1-b)FURAN, 2-NITRO-; 2-nitronaphtho[2,1-b]furan; R-6597; Naphtho[2,1-b]furan, 2-nitro-; NSC 329124; BRN 1376274; R6597; R 6597; 2-nitronaphthofuran; NSC329124; 5-17-02-00234 (Beilstein Handbook Reference); 2-Nitro-naphtho[2,1-b]furan; SCHEMBL11095673; DTXSID00219332; ZINC1574573; BDBM50304340; NSC-329124"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329124	.	.	.	.	213.19	C12H7NO3	59	289	3.7	16	0	3	0	InChI=1S/C12H7NO3/c14-13(15)12-7-10-9-4-2-1-3-8(9)5-6-11(10)16-12/h1-7H	C1=CC=C2C(=C1)C=CC3=C2C=C(O3)[N+](=O)[O-]	HXRMBVOCHDEAQH-UHFFFAOYSA-N
DG50450	Amonafide	50515	"Amonafide; 69408-81-7; Nafidimide; Quinamed; Benzisoquinolinedione; Xanafide; 5-Aminomitonafide; NSC-308847; AS1413; M-FA 142; FA 142; NSC308847; UNII-1Q8D39N37L; 3-Amino-N-(2-(dimethylamino)ethyl)naphthalimide; AS-1413; MLS000757039; CHEMBL428676; 1Q8D39N37L; 5-amino-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione; Amonifide; NAPHTHALIMIDE, 3-AMINO-N-(2-(DIMETHYLAMINO)ETHYL)-; 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-amino-2-(2-(dimethylamino)ethyl)-; 5-amino-2-(2-(dimethylamino)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione; Amonafidum [Latin]; Amonafida [Spanish]; Amonafidum; Amonafida; SMR000528907; Amonafide [USAN:INN]; AS-1413(Amonafide); NSC 308847; BRN 5344673; Amonofide; 5-Amino-2-[2-(dimethylamino)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione; Amonafide-[d6]; M-FA-142; Amonafide (USAN); BIDA; 3-Amino-N-(2-(dimethylamino)ethyl)-1,8-naphthalindicarboximid; 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-amino-2-(dimethylamino)ethyl-; NCIMech_000383; SCHEMBL27226; MLS006010419; MLS006011267; CHEBI:94661; CGX-571; DTXSID30219562; HMS3654H19; 5-amino-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; ZINC4214836; BDBM50033894; CCG-35694; NSC758251; s1367; AKOS015850731; BCP9000321; CS-0496; DB05022; NCI-308847; NSC-758251; NSC308847,AS1413; NCGC00346513-01; AC-22581; AS-56124; HY-10982; K157; NCI60_002643; FT-0662118; SW219946-1; A24926; D10090; 408A817; Q4747531; BRD-K56334280-001-02-8; BRD-K56334280-001-03-6; 1H-Benz[de]isoquinoline-1, 5-amino-2-[2-(dimethylamino)ethyl]-; 5-Amino-2-(2-dimethylamino-ethyl)-benzo[de]isoquinoline-1,3-dione; 1H-Benz[de]isoquinoline-1,3(2H)-dione,5-amino-2-[2-(dimethylamino)ethyl]-; 5-Amino-2-(2-dimethylamino-ethyl)-benzo[de]isoquinoline-1,3-dione (amonafide); 5-Amino-2-(2-dimethylamino-ethyl)-benzo[de]isoquinoline-1,3-dione(Amonafide); 5-Amino-2-[2-(dimethylamino)ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione;Amonafide.; 5-Amino-2-[2-(dimethylamino)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione #; AMONAFIDEDIHYDROCHLORIDE,1H-BENZ[DE]ISOQUINOLINE-1,3(2H)-DIONE,5-AMINO-2-[2-(DIMETHYLAMINO)ETHYL]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	308847	.	.	.	.	283.32	C16H17N3O2	66.6	437	1.5	21	1	4	3	"InChI=1S/C16H17N3O2/c1-18(2)6-7-19-15(20)12-5-3-4-10-8-11(17)9-13(14(10)12)16(19)21/h3-5,8-9H,6-7,17H2,1-2H3"	CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N	UPALIKSFLSVKIS-UHFFFAOYSA-N
DG50451	8-Fluorobenzo[a]pyrene	51254	"8-fluorobenzo[a]pyrene; 8-Fluorobenzo(a)pyrene; 71171-92-1; BRN 1980312; BENZO(a)PYRENE, 8-FLUORO-; NSC623137; CHEMBL1991507; DTXSID20221356; ZINC1617183; NSC-623137; NCI60_006901"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623137	.	.	.	.	270.3	C20H11F	0	405	6.4	21	0	1	0	InChI=1S/C20H11F/c21-16-7-9-17-15(11-16)10-14-5-4-12-2-1-3-13-6-8-18(17)20(14)19(12)13/h1-11H	C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(=C5)F)C=C2	NGTRARPAYZCLIC-UHFFFAOYSA-N
DG50452	10-Fluorobenzo(a)pyrene	52859	"10-Fluorobenzo(a)pyrene; 10-fluorobenzo[a]pyrene; 74018-58-9; BRN 2380822; BENZO(a)PYRENE, 10-FLUORO-; CHEMBL1982126; DTXSID90224819; ZINC1617184; NSC623138; NSC-623138; NCI60_006902"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623138	.	.	.	.	270.3	C20H11F	0	405	6.4	21	0	1	0	InChI=1S/C20H11F/c21-17-6-2-5-14-11-15-8-7-12-3-1-4-13-9-10-16(19(14)17)20(15)18(12)13/h1-11H	C1=CC2=C3C(=C1)C=CC4=C5C(=CC(=C43)C=C2)C=CC=C5F	HAWXDOMASFLWHU-UHFFFAOYSA-N
DG50454	Chaetochromin	53277	"Chaetochromin; Chaetochromin A; NSC345647; Isochaetochromin B1; Chaetochromin B; MLS000563176; MLS000756886; CHEMBL162783; 75514-37-3; SMR000470847; 109008-25-5; 5,6,8-trihydroxy-2,3-dimethyl-9-(5,6,8-trihydroxy-2,3-dimethyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-2,3-dihydrobenzo[g]chromen-4-one; UNII-LU0I4X77BN; LU0I4X77BN; [9,9'-Bi-2H-naphtho[2,3-b]pyran]-4,4'(3H,3'H)-dione, 5,5',6,6',8,8'-hexahydroxy-2,2',3,3'-tetramethyl-; cid_53277; SCHEMBL14259468; DTXSID10910964; HMS2270N07; BDBM50124967; NSC-345647; NCGC00246799-01; NCGC00246799-02; NCI60_003071; SR-01000759871; SR-01000759871-3; [9,3-b]pyran]-4,4'-dione, 2,2',3,3'-tetrahydro-5,5',6,6',8,8'-hexahydroxy-2,2',3,3'-tetramethyl-; 5,5',6,6',8,8'-Hexahydroxy-2,2',3,3'-tetramethyl-2,2',3,3'-tetrahydro-4H,4'H-[9,9'-binaphtho[2,3-b]pyran]-4,4'-dione; 5,5',6,6',8,8'-Hexahydroxy-2,2',3,3'-tetramethyl-2H,2'H-[9,9'-bibenzo[g]chromene]-4,4'(3H,3'H)-dione; 5,6,8,5'',6'',8''-Hexahydroxy-2,3,2'',3''-tetramethyl-2,3,2'',3''-tetrahydro-[9,9'']bi[benzo[g]chromenyl]-4,4''-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	345647	.	.	.	.	546.5	C30H26O10	174	927	5.9	40	6	10	1	"InChI=1S/C30H26O10/c1-9-11(3)39-19-5-13-21(15(31)7-17(33)23(13)29(37)25(19)27(9)35)22-14-6-20-26(28(36)10(2)12(4)40-20)30(38)24(14)18(34)8-16(22)32/h5-12,31-34,37-38H,1-4H3"	CC1C(OC2=C(C1=O)C(=C3C(=C2)C(=C(C=C3O)O)C4=C(C=C(C5=C(C6=C(C=C54)OC(C(C6=O)C)C)O)O)O)O)C	RHNVLFNWDGWACV-UHFFFAOYSA-N
DG50455	"2-Nitro-7-methoxynaphtho[2,1-b]furan"	53424	"2-Nitro-7-methoxynaphtho[2,1-b]furan; 75965-74-1; 7-methoxy-2-nitrobenzo[e][1]benzofuran; 2-nitro-7-methoxynaphtho(2-1b)furan; 7-Methoxy-2-nitronaphtho(2,1-b)furan; R 7000; 2-Nitro-7-methoxynaphtho(2,1-b)furan; CHEMBL7645; 7-methoxy-2-nitronaphtho[2,1-b]furan; CCRIS 4520; NSC 329223; BRN 5749492; R7000; NAPHTHO(2,1-b)FURAN, 7-METHOXY-2-NITRO-; SCHEMBL11229865; DTXSID80226862; Naphtho[2, 7-methoxy-2-nitro-; ZINC1574599; BDBM50304341; NSC329223; NSC-329223; 7-Methoxy-2-nitro-naphtho[2,1-b]furan; DS-009232; 2-Nitro-7-methoxynaphtho[2,1-b]furan, BCR(R) certified Reference Material"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329223	.	.	.	.	243.21	C13H9NO4	68.2	329	3.7	18	0	4	1	"InChI=1S/C13H9NO4/c1-17-9-3-4-10-8(6-9)2-5-12-11(10)7-13(18-12)14(15)16/h2-7H,1H3"	COC1=CC2=C(C=C1)C3=C(C=C2)OC(=C3)[N+](=O)[O-]	BRRIJZQYTOFDAF-UHFFFAOYSA-N
DG50456	"2-Nitro-8-methoxynaphtho(2,1-b)furan"	53425	"2-Nitro-8-methoxynaphtho(2,1-b)furan; 75965-75-2; 8-Methoxy-2-nitronaphtho(2,1-b)furan; CHEMBL269488; 8-methoxy-2-nitronaphtho[2,1-b]furan; NSC 329225; BRN 5058215; 2-Nitro-8-methoxy-naphtho(2,1-b)furan; R 6998; NAPHTHO(2,1-b)FURAN, 8-METHOXY-2-NITRO-; SCHEMBL11247108; DTXSID40226863; Naphtho[2, 8-methoxy-2-nitro-; ZINC1574601; BDBM50304339; NSC329225; NSC-329225; 8-Methoxy-2-nitro-naphtho[2,1-b]furan; R6998"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329225	.	.	.	.	243.21	C13H9NO4	68.2	329	3.7	18	0	4	1	"InChI=1S/C13H9NO4/c1-17-9-4-2-8-3-5-12-11(10(8)6-9)7-13(18-12)14(15)16/h2-7H,1H3"	COC1=CC2=C(C=C1)C=CC3=C2C=C(O3)[N+](=O)[O-]	GUDGYQZVOAXJLS-UHFFFAOYSA-N
DG50457	"2-(3,4-Dimethyl-5,6,7,8-tetrahydro-1-naphthylamino)-2-oxazoline"	53736	"NSC664190; 77733-18-7; SCHEMBL7047650; CHEMBL2002662; DTXSID80998936; ZINC1639156; 2-(3,4-Dimethyl-5,6,7,8-tetrahydro-1-naphthylamino)-2-oxazoline; 5,6,7,8-Tetrahydro-3,4-dimethyl-N-(2-oxazolin-2-yl)-1-naphthylamine; NSC-664190; 1-NAPHTHYLAMINE, 5,6,7,8-TETRAHYDRO-3,4-DIMETHYL-N-(2-OXZAZOLIN-2-YL)-; N-(3,4-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine; NCI60_022089; N-(7,8-dimethyltetralin-5-yl)-4,5-dihydrooxazol-2-amine; N-(3,4-Dimethyl-5,6,7,8-tetrahydro-1-naphthalenyl)-4,5-dihydro-1,3-oxazol-2-amine; N-(4,5-Dihydro-1,3-oxazol-2-yl)-N-(3,4-dimethyl-5,6,7,8-tetrahydro-1-naphthalenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664190	.	.	.	.	244.33	C15H20N2O	33.6	329	3.3	18	1	2	2	"InChI=1S/C15H20N2O/c1-10-9-14(17-15-16-7-8-18-15)13-6-4-3-5-12(13)11(10)2/h9H,3-8H2,1-2H3,(H,16,17)"	CC1=CC(=C2CCCCC2=C1C)NC3=NCCO3	GTUOHYYXUFZLSU-UHFFFAOYSA-N
DG50458	Piritrexim isethionate	54368	"PIRITREXIM ISETHIONATE; BW 301U isethionate; UNII-V77I71FH72; Piritrexim isethionate [USAN]; 79483-69-5; MLS002701843; V77I71FH72; NSC-351521; Piritrexim isethionate (USAN); 6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2-hydroxyethanesulfonic acid; NSC351521; DRG-0037; Piritrexim isetionate; 2,4-Diamino-6-(2,5-dimethoxybenzyl)-5-methylpyrido(2,3-d)pyrimidine mono(2-hydroxyethanesulfonate); SCHEMBL135624; CHEMBL1712863; DTXSID101000531; NSC 351521; NCI60_003141; Pyrido(2,3-d)pyrimidine-2,4-diamine, 6-((2,5-dimethoxyphenyl)methyl)-5-methyl-, mono(2-hydroxyethanesulfonate); SMR001565435; D05500; Q27291624; 2-Hydroxyethane-1-sulfonic acid--6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-diimine (1/1); Ethanesulfonic acid, compd. with 6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d] pyrimidine-2,4-diamine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	351521	.	.	.	.	451.5	C19H25N5O6S	192	530	.	31	4	11	6	"InChI=1S/C17H19N5O2.C2H6O4S/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16;3-1-2-7(4,5)6/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22);3H,1-2H2,(H,4,5,6)"	CC1=C2C(=NC(=NC2=NC=C1CC3=C(C=CC(=C3)OC)OC)N)N.C(CS(=O)(=O)O)O	IOEMETRLOWNXGW-UHFFFAOYSA-N
DG50460	Benflurone	54569	"Benflurone; Benfluron; UNII-634618HQ65; Vufb-13468; 78250-23-4; 5-(2-dimethylaminoethyloxy)benzo[c]fluoren-7-one; 634618HQ65; 5-[2-(dimethylamino)ethoxy]benzo[c]fluoren-7-one; Vufb 13468; 5-(2-Dimethylaminoethoxy)-7-oxo-7H-benzo(c)fluorene; SCHEMBL93794; ZINC1001; CHEMBL1996003; 7H-Benzo(c)fluoren-7-one, 5-(2-(dimethylamino)ethoxy)-; DTXSID90228918; NSC625255; AKOS024345573; MCULE-2905465063; NSC-625255; NCI60_007789; Q27263568"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625255	.	.	.	.	317.4	C21H19NO2	29.5	463	4.3	24	0	3	4	"InChI=1S/C21H19NO2/c1-22(2)11-12-24-19-13-18-20(15-8-4-3-7-14(15)19)16-9-5-6-10-17(16)21(18)23/h3-10,13H,11-12H2,1-2H3"	CN(C)CCOC1=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4C2=O	IALAUUKEGMAATC-UHFFFAOYSA-N
DG50461	Edatrexate	54586	"EDATREXATE; 80576-83-6; 10-EdAM; CHEMBL9798; 2-[[4-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]benzoyl]amino]pentanedioic acid; CGP 30694;NSC 626715; NSC-626715; SCHEMBL1650127; 10-Ethyl-10-dezaz-aminopterin; BDBM50004544; NSC626715; NCI60_008442; 2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid; 2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid(10-EDAM); N-[4-[1-[(2,4-Diamino-6-pteridinyl)-methyl]propyl]benzoyl]-L-glutamic acid; 2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid(1.75H2O); 2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid(10-Et-10-DA); 2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid(Edatrexate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626715	.	.	.	.	467.5	C22H25N7O5	207	718	-0.4	34	5	11	10	"InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)"	CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	FSIRXIHZBIXHKT-UHFFFAOYSA-N
DG50462	Caracemide	54747	"Caracemide; 81424-67-1; NSC-253272; N-(Methylcarbamoyl)-N-((methylcarbamoyl)oxy)acetamide; UNII-H74F6J185A; N-Acetyl-N,O-bis(methylcarbamoyl)hydroxylamine; N-((Methylamino)carbonyl)-N-(((methylamino)carbonyl)oxy)acetamide; H74F6J185A; NSC253272; N-(METHYLCARBAMOYL)ACETAMIDO N-METHYLCARBAMATE; Caracemidum [Latin]; Caracemida [Spanish]; Caracemida; Caracemidum; Acetamide, N-[(methylamino)carbonyl]-N-[[(methylamino)carbonyl]oxy]-; Caracemide [USAN:INN]; ACETAMIDE, N-((METHYLAMINO)CARBONYL)-N-(((METHYLAMINO)CARBONYL)OXY)-; CCRIS 1729; NSC 253272; BRN 5935912; N-Acetyl-N-(methylcarbamoyloxy)-N'-methylurea; N-(Methylcarbamoyl)-N-(methylcarbamoyloxy)acetamid; Caracemide (USAN); NCIMech_000225; SCHEMBL3812; [acetyl(methylcarbamoyl)amino] N-methylcarbamate; CHEMBL9116; DTXSID00231099; ZINC1557006; Acetamide, N-((methylamino)carbonyl)-N-((methylamino)carbonyl)oxy)-; Acetamide, N-((methylamino)carbonyl)-N-((methylamino)carbonyl)oxy-; CCG-35357; AKOS006274247; NCI60_002035; DS-006307; HY-119974; CS-0078854; D03378; Q27279722; Z2327673243; Acetamide,n-[(methylamino)carbonyl]-n-[[(methylamino)carbonyl]oxy]-; 1-([(Methylamino)carbonyl]([(methylamino)carbonyl]oxy)amino)-1-oxoethane #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	253272	.	.	.	.	189.17	C6H11N3O4	87.7	228	-0.2	13	2	4	2	"InChI=1S/C6H11N3O4/c1-4(10)9(5(11)7-2)13-6(12)8-3/h1-3H3,(H,7,11)(H,8,12)"	CC(=O)N(C(=O)NC)OC(=O)NC	JURAJLFHWXNPHG-UHFFFAOYSA-N
DG50463	"Carbamic acid, 5-amino-1,2-dihydro-3-phenylpyrido(3,4-b)pyrazin-7-yl-, ethyl ester"	54888	"NSC 330770; NSC330770; 82585-91-9; UNII-3O08W2P62U; MLS002701819; 3O08W2P62U; NSC-330770; NCIMech_000617; BRN 4207077; (5-Amino-1,2-dihydro-3-phenylpyrido(3,4-b)pyrazin-7-yl)-, carbamic acid, ethyl ester; CHEMBL65190; SCHEMBL10788748; DTXSID80231890; ZINC5650614; CCG-35590; ethyl N-(5-amino-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate; Carbamic acid, 5-amino-1,2-dihydro-3-phenylpyrido(3,4-b)pyrazin-7-yl-, ethyl ester; NCI60_002896; SMR001565412; (5-AMINO-1,4-B]PYRAZIN-7-YL)CARBAMIC ACID, ETHYL ESTER; Carbamic acid,2-dihydro-3-phenylpyrido[3,4-b]pyrazin-7-yl)-, ethyl ester; Carbamic acid,5-amino-1,2-dihydro-3-phenylpyrido[3,4- b]pyrazin-7-yl-,ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	330770	.	.	.	.	311.34	C16H17N5O2	102	450	2	23	3	6	4	"InChI=1S/C16H17N5O2/c1-2-23-16(22)21-13-8-11-14(15(17)20-13)19-12(9-18-11)10-6-4-3-5-7-10/h3-8,18H,2,9H2,1H3,(H3,17,20,21,22)"	CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC=CC=C3)N	RLHKYVHZNZMLRH-UHFFFAOYSA-N
DG50464	"Indol-6-OL, 4-chloro-2-(2,6-dichloro-4-hydroxyphenyl)-1-ethyl-"	54995	"83364-03-8; D 15413; UNII-DE44SE4G4T; DE44SE4G4T; 4-Chloro-2-(3,5-dichloro-4-hydroxyphenyl)-1-ethylindol-6-ol; D-15413; INDOL-6-OL, 4-CHLORO-2-(2,6-DICHLORO-4-HYDROXYPHENYL)-1-ETHYL-; NSC-370875; NSC 370875; BRN 5613402; 4-chloro-2-(2,6-dichloro-4-hydroxyphenyl)-1-ethylindol-6-ol; CHEMBL15769; SCHEMBL10797858; DTXSID60232300; ZINC1587442; NSC370875; 4-chloro-2-(2,6-dichloro-4-hydroxyphenyl)-1-ethyl-6-hydroxyindole; 4-chloro-2-(2,6-dichloro-4-hydroxy-phenyl)-1-ethyl-6-hydroxyindole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	370875	.	.	.	.	356.6	C16H12Cl3NO2	45.4	388	5.1	22	2	2	2	"InChI=1S/C16H12Cl3NO2/c1-2-20-14-6-9(22)3-11(17)10(14)7-15(20)16-12(18)4-8(21)5-13(16)19/h3-7,21-22H,2H2,1H3"	CCN1C(=CC2=C1C=C(C=C2Cl)O)C3=C(C=C(C=C3Cl)O)Cl	ZATDYQOGSPTLBG-UHFFFAOYSA-N
DG50465	Ilmofosine	55008	"ILMOFOSINE; 83519-04-4; Thio ALP; BM 41.440; [2-(hexadecylsulfanylmethyl)-3-methoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate; NCGC00165808-01; BM-41440; 1-Hexadecylmercapto-2-methoxymethyl-3-propyl phosphoric acid monocholine ester; Ilmofosinum [Latin]; Ilmofosina [Spanish]; Ilmofosina; Ilmofosinum; Ilmofosine [USAN:INN]; SH-MM-lysolecithin; (+-)-Ilmofosine; BRN 4767637; Limofosine; 1-Hexadecylthio-2-methoxymethyl-rac-glycero-3-phosphocholine; BM 41440; Ilmofosine (USAN/INN); DSSTox_CID_28934; DSSTox_RID_83200; DSSTox_GSID_49008; SCHEMBL48829; CHEMBL28930; DTXSID2049008; Tox21_113506; MFCD00869023; NSC601679; NSC-601679; 3,5-Dioxa-9-thia-4-phosphapentacosan-1-aminium, 4-hydroxy-7-(methoxymethyl)-N,N,N-trimethyl-, (2S-(1(R*(R*)),2alpha,3abeta,7abeta))-; 3,5-Dioxa-9-thia-4-phosphapentacosan-1-aminium, 4-hydroxy-7-(methoxymethyl)-N,N,N-trimethyl-,hydroxide, inner salt, 4-oxide; BM-41.440; CAS-83519-04-4; D04504; Ilmofosine, >=97% (NMR), semisolid (waxy); Q27263125; 3-(Hexadecylthio)-2-(methoxymethyl)propyl (2-(trimethylammonio)ethyl) phosphate; 3-(hexadecylthio)-2-(methoxymethyl)propyl 2-(trimethylammonio)ethyl phosphate; 4-Oxylato-7-(methoxymethyl)-N,N,N-trimethyl-3,5-dioxa-9-thia-4-phospha(V)pentacosan-1-aminium4-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601679	.	.	.	.	525.8	C26H56NO5PS	93.1	482	7.5	34	0	6	26	"InChI=1S/C26H56NO5PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-25-26(23-30-5)24-32-33(28,29)31-21-20-27(2,3)4/h26H,6-25H2,1-5H3"	CCCCCCCCCCCCCCCCSCC(COC)COP(=O)([O-])OCC[N+](C)(C)C	ODEDPKNSRBCSDO-UHFFFAOYSA-N
DG50466	"Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, ethyl ester"	55294	"NSC623753; 84761-93-3; CHEMBL2002784; ACETIC ACID, ((6-METHYL-2-BENZOTHIAZOLYL)AMINO)OXO-, ETHYL ESTER; Ethyl ((6-methyl-1,3-benzothiazol-2-yl)amino)(oxo)acetate; ethyl [(6-methyl-1,3-benzothiazol-2-yl)amino](oxo)acetate; Benzothiazolyl-2-oxaminic acid, 6-methyl-, ethyl ester; ((6-Methyl-2-benzothiazolyl)amino)oxoacetic acid ethyl ester; ethyl 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetate; DTXSID20233797; ZINC1617384; BDBM50385306; STK021220; AKOS000648311; MCULE-5425860755; NSC-623753; NCI60_007068; ethyl 2-(6-methylbenzo[d]thiazol-2-ylamino)-2-oxoacetate; ethyl 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623753	.	.	.	.	264.3	C12H12N2O3S	96.5	337	2.9	18	1	5	4	"InChI=1S/C12H12N2O3S/c1-3-17-11(16)10(15)14-12-13-8-5-4-7(2)6-9(8)18-12/h4-6H,3H2,1-2H3,(H,13,14,15)"	CCOC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)C	FEDKXZRSVIBYDP-UHFFFAOYSA-N
DG50467	Gusperimus	55362	"Gusperimus; 15-deoxyspergualin; Deoxyspergualin; 98629-43-7; 104317-84-2; Gusperimus [INN]; Gusperimus (INN); Heptanamide, 7-((aminoiminomethyl)amino)-N-(2-((4-((3-aminopropyl)amino)butyl)amino)-1-hydroxy-2-oxoethyl)-; N-[2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide; NSC356894; (+/-)-15-Deoxyspergualin; (+/-)-Deoxyspergualin;; BMS 181173; NCGC00183869-01; (+-)-15-Deoxyspergualin; SCHEMBL28026; CHEMBL406117; DTXSID60861078; CHEBI:135609; DB12692; NCI60_003229; DB-040531; FT-0631032; FT-0776026; D08032; Q10910504; N-(2-((4-((3-Aminopropyl)amino)butyl)amino)-1-hydroxy-2-oxoethyl)-7-guanidinoheptanamide; N-(2-(4-(3-aminopropylamino)butylamino)-1-hydroxy-2-oxoethyl)-7-guanidinoheptanamide; N-[2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxo-ethyl]-7-guanidino-heptanamide; N-[4-(3-aminopropyl)aminobutyl]-2-(7-guanidinoheptanamido)-2-hydroxyethanamide; N-[Hydroxy[[4-(3-aminopropylamino)butyl]carbamoyl]methyl]-7-guanidinoheptanamide; 7-([Amino(imino)methyl]amino)-N-[2-((4-[(3-aminopropyl)amino]butyl)amino)-1-hydroxy-2-oxoethyl]heptanamide #; Heptanamide, 7-(aminoiminomethyl)amino-N-2-[4-(3-aminopropylamino-butyl)amino)]-1-hydroxy-2-oxoethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	356894	.	.	.	.	387.5	C17H37N7O3	181	429	-2	27	7	6	17	"InChI=1S/C17H37N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23)"	C(CCCN=C(N)N)CCC(=O)NC(C(=O)NCCCCNCCCN)O	IDINUJSAMVOPCM-UHFFFAOYSA-N
DG50468	"ethyl N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamate"	55498	"NSC355637; MLS002702889; COLCHICINE, N-CARBETHOXY-DEACETYL; CHEMBL277648; N-Deacetyl-N-ethoxycarbonylcolchicine; NSC-355637; ethyl N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamate; N-(ETHOXYCABONYL)DEACETYLCOLCHICINE; NCI60_003206; SMR001566707; SR-01000880049; SR-01000880049-2; Ethyl 1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-ylcarbamate #; Carbamic acid, (5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, ethyl ester; Carbamic acid,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, ethyl ester, (S)-; Carbamic acid,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl-, ethyl ester, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355637	.	.	.	.	429.5	C23H27NO7	92.3	772	1.8	31	1	7	7	"InChI=1S/C23H27NO7/c1-6-31-23(26)24-16-9-7-13-11-19(28-3)21(29-4)22(30-5)20(13)14-8-10-18(27-2)17(25)12-15(14)16/h8,10-12,16H,6-7,9H2,1-5H3,(H,24,26)"	CCOC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC	NLHICQCHEWUHCR-UHFFFAOYSA-N
DG50469	"NAPHTHO(2,1-b)FURAN, 1-METHYL-2-NITRO-"	55508	"NAPHTHO(2,1-b)FURAN, 1-METHYL-2-NITRO-; 1-Methyl-2-nitronaphtho(2,1-b)furan; CHEMBL6980; 86539-67-5; 1-methyl-2-nitronaphtho[2,1-b]furan; R 7371; NSC 373980; BRN 5037897; SCHEMBL16001172; DTXSID50235648; ZINC1589242; BDBM50304338; NSC373980; NSC-373980; 1-Methyl-2-nitro-naphtho[2,1-b]furan; NCI60_003503"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373980	.	.	.	.	227.21	C13H9NO3	59	314	4.1	17	0	3	0	"InChI=1S/C13H9NO3/c1-8-12-10-5-3-2-4-9(10)6-7-11(12)17-13(8)14(15)16/h2-7H,1H3"	CC1=C(OC2=C1C3=CC=CC=C3C=C2)[N+](=O)[O-]	CVUUOLKFENQCEZ-UHFFFAOYSA-N
DG50470	Dezaguanine	55710	"Dezaguanine; 3-Deazaguanine; 41729-52-6; ICN 4221; UNII-9DRB973HUI; NSC-261726; 6-Amino-1,5-dihydro-4H-imidazo(4,5-c)pyridin-4-one; 4H-Imidazo(4,5-c)pyridin-4-one, 6-amino-1,5-dihydro-; CI-908; NSC261726; 9DRB973HUI; CHEMBL31882; 6-amino-1,5-dihydroimidazo[4,5-c]pyridin-4-one; 6-Amino-1,5-dihydro-imidazo[4,5-c]pyridin-4-one; Dezaguaninum [Latin]; Dezaguanina [Spanish]; Dezaguanina; Dezaguaninum; 41729-52-6(Dezaguanine); 87434-82-0 (Dezaguanine mesylate); Dezaguanine [USAN:INN]; CI 908; NSC 261726; BRN 0608942; 6-Aminoimidazo(4,5-c)pyridin-4(5H)-one; Dezaguanine (USAN/INN); NCIMech_000664; SCHEMBL4184; 3-DG; DTXSID10194525; BDBM50022256; CCG-35869; CI-809; ZINC17061339; AKOS006274250; NCI60_002090; PD-9069573; D03754; 6-amino-1H,4H,5H-imidazo[4,5-c]pyridin-4-one; 6-Amino-3,5-dihydro-imidazo[4,5-c]pyridin-4-one; Q27272408; 4h-imidazo[4,5-c]pyridin-4-one,6-amino-3,5-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	261726	.	.	.	.	150.14	C6H6N4O	83.8	225	-0.6	11	3	3	0	"InChI=1S/C6H6N4O/c7-4-1-3-5(6(11)10-4)9-2-8-3/h1-2H,(H,8,9)(H3,7,10,11)"	C1=C(NC(=O)C2=C1NC=N2)N	KXBCLNRMQPRVTP-UHFFFAOYSA-N
DG50471	Mitoflaxone	55748	"Mitoflaxone; Flavone acetic acid; 87626-55-9; LM-975; NSC-347512; NSC 347512; 4H-1-BENZOPYRAN-8-ACETIC ACID, 4-OXO-2-PHENYL-; UNII-X230G6E63B; 2-Phenyl-8-(carboxymethyl)-benzopyran-4-one; 4-Oxo-2-phenyl-4H-1-benzopyran-8-acetic acid; NSC347512; flavone-8-acetic acid; MLS003171055; X230G6E63B; 2-(4-oxo-2-phenyl-4H-chromen-8-yl)acetic acid; Mitoflaxone [INN]; Mitoflaxona; Mitoflaxonum; Mitoflaxonum [INN-Latin]; Mitoflaxona [INN-Spanish]; BRN 4260339; Flavoneacetic acid; Flavone-8- acetic acid; 2-(4-oxo-2-phenylchromen-8-yl)acetic acid; NCIStruc1_000708; NCIStruc2_000951; SCHEMBL106705; CHEMBL443793; ZINC1453; DTXSID50236534; CCG-36701; CRC-85/31; NCGC00014797; NCI347512; NCGC00014797-02; NCGC00097898-01; NCI60_003088; SMR001874964; (4-Oxo-2-phenyl-4H-chromen-8-yl)acetic acid; (4-Oxo-2-phenyl-4H-chromen-8-yl)acetic acid #; Q27293356"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	347512	.	.	.	.	280.27	C17H12O4	63.6	448	3	21	1	4	3	"InChI=1S/C17H12O4/c18-14-10-15(11-5-2-1-3-6-11)21-17-12(9-16(19)20)7-4-8-13(14)17/h1-8,10H,9H2,(H,19,20)"	C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC(=C3O2)CC(=O)O	TZZNWMJZDWYJAZ-UHFFFAOYSA-N
DG50472	"3H-1,2-Dithiole, 3,3,4,5-tetrachloro-"	55894	"3,3,4,5-Tetrachloro-3H-1,2-dithiole; 88917-02-6; NSC135975; 3H-1,2-DITHIOLE, 3,3,4,5-TETRACHLORO-; 3,3,4,5-tetrachlorodithiole; 3,3,4,5-Tetrachloro-1,2-dithiole; NSC 135975; BRN 1343183; 3H-1, tetrachloro-; CHEMBL2001650; DTXSID30237423; ZINC1722339; NSC-135975; 3,3,4,5-Tetrachloro-3H-1,2-dithiol; NCI60_000811"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135975	.	.	.	.	242	C3Cl4S2	50.6	163	3.3	9	0	2	0	"InChI=1S/C3Cl4S2/c4-1-2(5)8-9-3(1,6)7"	C1(=C(SSC1(Cl)Cl)Cl)Cl	YXMZIQBPZNCGMY-UHFFFAOYSA-N
DG50473	"NAPHTHO(2,1-b)FURAN-1-ETHANOL, 2-NITRO-"	56909	"R 7516; UNII-WQG46C95NP; NAPHTHO(2,1-b)FURAN-1-ETHANOL, 2-NITRO-; 2-Nitronaphtho(2,1-b)furan-1-ethanol; CHEMBL7135; WQG46C95NP; MLS002701875; 95455-02-0; 2-Nitronaphtho[2,1-b]furan-1-ethanol; NSC 373981; BRN 5579062; 1-(Hydroxyethyl)-2-nitronaphtho(2,1-b)furan; Naphtho[2, 2-nitro-; 2-(2-nitronaphtho[2,1-b]furan-1-yl)ethanol; SCHEMBL16001174; DTXSID00241850; ZINC1589243; BDBM50304337; NSC373981; NSC-373981; NCI60_003504; SMR001565465; 2-(2-Nitro-naphtho[2,1-b]furan-1-yl)-ethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373981	.	.	.	.	257.24	C14H11NO4	79.2	343	3.3	19	1	4	2	"InChI=1S/C14H11NO4/c16-8-7-11-13-10-4-2-1-3-9(10)5-6-12(13)19-14(11)15(17)18/h1-6,16H,7-8H2"	C1=CC=C2C(=C1)C=CC3=C2C(=C(O3)[N+](=O)[O-])CCO	DMTZMRKTFPMXSU-UHFFFAOYSA-N
DG50474	Brequinar	57030	"Brequinar; 96187-53-0; 6-Fluoro-2-(2'-fluoro-[1,1'-biphenyl]-4-yl)-3-methylquinoline-4-carboxylic acid; brequinarum; Biphenquinate; 6-fluoro-2-(2'-fluorobiphenyl-4-yl)-3-methylquinoline-4-carboxylic acid; NSC 368390; UNII-5XL19F49H6; 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid; NSC-368390; DUP785; 5XL19F49H6; Bipenquinate; NSC368390; brequinarum [Latin]; 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-quinoline-4-carboxylic acid; 6-FLUORO-2-(2'-FLUORO-1,1'-BIPHENYL-4-YL)-3-METHYLQUINOLINE-4-CARBOXYLIC ACID; Brequinar [INN]; Brequinarum [INN-Latin]; 4-Quinolinecarboxylic acid, 6-fluoro-2-(2'-fluoro(1,1'-biphenyl)-4-yl)-3-methyl-; 4-Quinolinecarboxylic acid, 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methyl-; C23H15F2NO2; 6-fluoro-2-{2'-fluoro-[1,1'-biphenyl]-4-yl}-3-methylquinoline-4-carboxylic acid; Neuro_000208; SCHEMBL49400; CHEMBL38434; DUP785; Biphenquinate; BPQ; GTPL7406; BDBM15339; DTXSID00242165; TQR0591; CHEBI:177387; HMS3749M07; AMY36630; BCP06006; EX-A1515; ZINC1587011; MFCD00866437; s6626; AKOS016001465; CS-7842; DB03523; 4-Quinolinecarboxylic acid,6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4- yl)-3-methyl-; NCGC00480786-05; DS-15411; NCI60_003391; DB-080409; HY-108325; FT-0757290; X5917; C77324; A847266; J-515994; BPQ; Biphenquinate; DUP 785; DUP785; DUP-785; Q27075486; Z2465619914; 6-fluoro-2-(2'-fluoro[biphenyl]-4-yl)-3-methylquinoline-4-carboxylic acid; 2-(2'-Fluoro-1,1'-biphenyl-4-yl)-6-fluoro-3-methyl-4-quinolinecarboxylic acid; 6-Fluoro-2-(2'-fluoro-[11'-biphenyl]-4-yl)-3-methylquinoline-4-carboxylic acid; 6-fluoro-2-(2'-fluoro-1,1 '-biphe-nyl-4-yl)-3-methyl-4-quinolinecarboxylic acid; 6-Fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methyl-4-quinolinecarboxylic acid; 6-Fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methyl-4-quinolinecarboxylic acid #; 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methylquinoline-4-carboxylic acid; 6-Fluoro-2-(2'-fluoro-[1,1'-biphenyl]-4-yl)-3-methyl-4-quinolinecarboxylic acid, (*Sodium sal*)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	368390	.	.	.	.	375.4	C23H15F2NO2	50.2	551	5.6	28	1	5	3	"InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)"	CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4F)C(=O)O	PHEZJEYUWHETKO-UHFFFAOYSA-N
DG50475	"Benzo(a)heptalene-7-carbamic acid, 5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxy-, butyl ester"	57162	"N-(Butoxycarbonyl)deacetylthiocolchicine; Benzo(a)heptalene-7-carbamic acid, 5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxy-, butyl ester; 97043-04-4; NSC372486; MLS002702893; BRN 5659556; CHEMBL1731371; DTXSID30914202; butyl N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamate; SMR001566711; N-Desacetyl-N-(butoxycarbonyl)thiocolchicine; Thiocolchicine, N-deacetyl-n-butoxycarbonyl-; Butyl 1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-ylcarbamate #; Butyl 1,2,3-trimethoxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-ylcarbamate; Butyl hydrogen [1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]carbonimidate; Carbamic acid, [(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, butyl ester; Carbamic acid, [5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, butyl ester, (S)-; Carbamic acid, {[5,6,7,9-tetrahydro-1,2,} {3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-,} butyl ester, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372486	.	.	.	.	473.6	C25H31NO6S	108	807	3.4	33	1	7	9	"InChI=1S/C25H31NO6S/c1-6-7-12-32-25(28)26-18-10-8-15-13-20(29-2)23(30-3)24(31-4)22(15)16-9-11-21(33-5)19(27)14-17(16)18/h9,11,13-14,18H,6-8,10,12H2,1-5H3,(H,26,28)"	CCCCOC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC	BJAJYTAHDSJTTM-UHFFFAOYSA-N
DG50477	Cyclodisone	57513	"Cyclodisone; 99591-73-8; NSC-348948; 1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide; 1,5,2,4-Dioxadithiepane, 2,2,4,4-tetraoxide; UNII-7YFV4WN79I; 7YFV4WN79I; Cyclic-soso; 1,5,2,4-DIOXADITHIEPANE-2,2,4,4-TETRAOXIDE; NSC 348948; ethylene methanedisulfonate; SCHEMBL576075; CHEMBL1994476; DTXSID80244147; NSC348948; ZINC14089106; NCI60_003099; 1,5,2  ,4  -DIOXADITHIEPANE-2,2,4,4-TETRONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	348948	.	.	.	.	202.2	C3H6O6S2	104	278	-1.1	11	0	6	0	"InChI=1S/C3H6O6S2/c4-10(5)3-11(6,7)9-2-1-8-10/h1-3H2"	C1COS(=O)(=O)CS(=O)(=O)O1	RYIRMSRYCSMGJA-UHFFFAOYSA-N
DG50478	"2,2,3-Trifluoro-7a-methyl-2,4,5,6,7-hexahydrobenzothiophene"	57787	"NSC664951; 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7-hexahydrobenzothiophene; 100333-45-7; 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene; BENZO(b)THIOPHENE, 2,4,5,6,7,7a-HEXAHYDRO-2,2,3-TRIFLUORO-7a-METHYL-; CHEMBL2003201; DTXSID10905390; NSC-664951; NCI60_022365; 2,2,3-trifluoro-7a-methyl-4,5,6,7-tetrahydrobenzothiophene; 2,2,3-Trifluoro-2,4,5,6,7,7a-hexahydro-7a-methylbenzo[b]thiophene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664951	.	.	.	.	208.25	C9H11F3S	25.3	272	2.7	13	0	4	0	"InChI=1S/C9H11F3S/c1-8-5-3-2-4-6(8)7(10)9(11,12)13-8/h2-5H2,1H3"	CC12CCCCC1=C(C(S2)(F)F)F	XUQQKAFRTLETGP-UHFFFAOYSA-N
DG50479	N-(2-Oxazolyl)-1-naphthylamine	57834	"N-(2-Oxazolyl)-1-naphthylamine; N-naphthalen-1-yl-1,3-oxazol-2-amine; 100381-97-3; 1-NAPHTHYLAMINE, N-(2-OXAZOLYL)-; NSC659237; 2-(1-Naphthylamino)oxazole; BRN 0520285; 2-Oxazolamine, N-1-naphthalenyl-; N-(1-naphthyl)oxazol-2-amine; SCHEMBL6623767; CHEMBL2000874; DTXSID60143240; ZINC1636993; N-(1-Naphthyl)-1,3-oxazol-2-amine; NSC-659237; NCI60_020898; N-(1-Naphthyl)-N-(1,3-oxazol-2-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659237	.	.	.	.	210.23	C13H10N2O	38.1	234	3.5	16	1	3	2	"InChI=1S/C13H10N2O/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h1-9H,(H,14,15)"	C1=CC=C2C(=C1)C=CC=C2NC3=NC=CO3	QPVKBSBPGROOBY-UHFFFAOYSA-N
DG50480	"Carbonic acid, 1-methyl-4-phenyl-4-piperidyl phenyl ester"	58324	"101418-15-9; CARBONIC ACID, 1-METHYL-4-PHENYL-4-PIPERIDYL PHENYL ESTER; NSC665332; (1-methyl-4-phenylpiperidin-4-yl) phenyl carbonate; 4-(1-Methyl-4-phenyl)piperidyl phenyl carbonate; 1-Methyl-4-phenyl-4-piperidinyl phenyl carbonate; (1-methyl-4-phenyl-4-piperidyl) phenyl carbonate; CHEMBL1968616; DTXSID10143917; NSC-665332; NCI60_022542; (1-Methyl-4-phenyl-4-piperidyl)phenyl=carbonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665332	.	.	.	.	311.4	C19H21NO3	38.8	378	4	23	0	4	5	"InChI=1S/C19H21NO3/c1-20-14-12-19(13-15-20,16-8-4-2-5-9-16)23-18(21)22-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3"	CN1CCC(CC1)(C2=CC=CC=C2)OC(=O)OC3=CC=CC=C3	JAWVTCCRYNKTAD-UHFFFAOYSA-N
DG50481	"8aH-CYCLOHEPTA(b)THIOPHENE, 2,4,5,6,7,8-HEXAHYDRO-2,2,3-TRIFLUORO-"	58509	"NSC664948; 101564-08-3; 2,2,3-Trifluoro-4,5,6,7,8,8a-hexahydro-2H-cyclohepta[b]thiophene; 2,2,3-Trifluoro-2,4,5,6,7,8-hexahydrocyclohepta(b)thiophene; 2,2,3-trifluoro-4,5,6,7,8,8a-hexahydrocyclohepta[b]thiophene; 8aH-CYCLOHEPTA(b)THIOPHENE, 2,4,5,6,7,8-HEXAHYDRO-2,2,3-TRIFLUORO-; CHEMBL1980017; DTXSID00906316; NSC-664948; NCI60_022362; 2,4,5,6,7,8-Hexahydro-2,2,3-trifluoro-8aH-cyclohepta[b]thiophene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664948	.	.	.	.	208.25	C9H11F3S	25.3	247	3.1	13	0	4	0	"InChI=1S/C9H11F3S/c10-8-6-4-2-1-3-5-7(6)13-9(8,11)12/h7H,1-5H2"	C1CCC2C(=C(C(S2)(F)F)F)CC1	ZYWBGTOSOLVSIJ-UHFFFAOYSA-N
DG50482	alpha-(1-Propynyl)mandelic acid 1-methyl-3-pyrrolidinyl ester	58826	"101711-17-5; alpha-(1-Propynyl)mandelic acid 1-methyl-3-pyrrolidinyl ester; NSC665329; (1-methylpyrrolidin-3-yl) 2-hydroxy-2-phenylpent-3-ynoate; 1-Methyl-3-pyrrolidinyl phenyl(1-propynyl)glycolate A; 1-Methyl-3-pyrrolidinyl phenyl(1-propynyl)glycolate B; MANDELIC ACID, alpha-(1-PROPYNYL)-, 1-METHYL-3-PYRROLIDINYL ESTER; CHEMBL1995523; 1-Methyl-3-pyrrolidinyl 2-hydroxy-2-phenyl-3-pentynoate; DTXSID10906569; NSC-665329; NCI60_022539; 1-Methylpyrrolidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate; (1-METHYLPYRROLIDIN-3-YL) 2-HYDROXY-2-PHENYL-PENT-3-YNOATE; alpha-(1-Propynyl)-alpha-hydroxybenzeneacetic acid 1-methyl-3-pyrrolidinyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665329	.	.	.	.	273.33	C16H19NO3	49.8	416	2	20	1	4	5	"InChI=1S/C16H19NO3/c1-3-10-16(19,13-7-5-4-6-8-13)15(18)20-14-9-11-17(2)12-14/h4-8,14,19H,9,11-12H2,1-2H3"	CC#CC(C1=CC=CC=C1)(C(=O)OC2CCN(C2)C)O	MWQQUDKRJVZOJN-UHFFFAOYSA-N
DG50483	"Malononitrile, (2-hydroxy-1-(naphthylmethylene))-"	58850	"NSC663984; MALONONITRILE, (2-HYDROXY-1-(NAPHTHYLMETHYLENE))-; 101756-32-5; (2-Hydroxy-1-(naphthylmethylene))malononitrile; 2-((2-Hydroxy-1-naphthyl)methylene)malononitrile; SCHEMBL5203945; CHEMBL1993884; 2-[(2-hydroxynaphthalen-1-yl)methylidene]propanedinitrile; DTXSID90144164; ZINC1639058; MCK101562; AKOS023197589; MCULE-3641838024; NSC-663984; 2-Hydroxy-1-naphthylmethylenemalononitrile; NCI60_022004; 2-[(2-hydroxy-1-naphthyl)methylene]propanedinitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663984	.	.	.	.	220.23	C14H8N2O	67.8	390	2.9	17	1	3	1	"InChI=1S/C14H8N2O/c15-8-10(9-16)7-13-12-4-2-1-3-11(12)5-6-14(13)17/h1-7,17H"	C1=CC=C2C(=C1)C=CC(=C2C=C(C#N)C#N)O	UCDYXURSVIOOCB-UHFFFAOYSA-N
DG50484	"Aniline, 2,5-dimethoxy-N-(2-oxazolin-2-YL)-"	58910	"NSC664004; ANILINE, 2,5-DIMETHOXY-N-(2-OXAZOLIN-2-YL)-; 101831-53-2; 2-(2,5-Dimethoxyanilino)-2-oxazoline; 5-Methoxy-N-(2-oxazolin-2-yl)-o-anisidine; o-Anisidine, 5-methoxy-N-(2-oxazolin-2-yl)-; CHEMBL1978459; DTXSID30144209; N-(2,5-Dimethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine; ZINC1639076; NSC-664004; NCI60_022022; N-(2,5-dimethoxyphenyl)-4,5-dihydrooxazol-2-amine; N-(4,5-Dihydro-1,3-oxazol-2-yl)-N-(2,5-dimethoxyphenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664004	.	.	.	.	222.24	C11H14N2O3	52.1	258	1.1	16	1	4	4	"InChI=1S/C11H14N2O3/c1-14-8-3-4-10(15-2)9(7-8)13-11-12-5-6-16-11/h3-4,7H,5-6H2,1-2H3,(H,12,13)"	COC1=CC(=C(C=C1)OC)NC2=NCCO2	QMKKYQIMEGYVDH-UHFFFAOYSA-N
DG50485	"N'-(5,6,7,8-Tetrahydro-1-naphthyl)-N,N,N-trimethylformamidinium iodide"	59031	"N'-(5,6,7,8-Tetrahydro-1-naphthyl)-N,N,N-trimethylformamidinium iodide; FORMAMIDINIUM, N'-(5,6,7,8-TETRAHYDRO-1-NAPHTHYL)-N,N,N-TRIMETHYL-, IODIDE; CHEMBL2006167; NSC665672; NSC-665672; 101832-96-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665672	.	.	.	.	344.23	C14H21IN2	12.4	252	.	17	0	2	2	"InChI=1S/C14H21N2.HI/c1-16(2,3)11-15-14-10-6-8-12-7-4-5-9-13(12)14;/h6,8,10-11H,4-5,7,9H2,1-3H3;1H/q+1;/p-1"	C[N+](C)(C)C=NC1=CC=CC2=C1CCCC2.[I-]	ILRLVDKMRXPQKH-UHFFFAOYSA-M
DG50486	"1,1,1,7,7,7-Hexafluoro-2,6-dihydroxy-3-phenyl-2,6-bis(trifluoromethyl)-4-heptanone"	59101	"NSC664313; 1,1,1,7,7,7-Hexafluoro-2,6-dihydroxy-3-phenyl-2,6-bis(trifluoromethyl)-4-heptanone; 1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-3-phenyl-2,6-bis(trifluoromethyl)heptan-4-one; 101913-89-7; 4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-3-phenyl-; CHEMBL2001721; DTXSID60906817; NSC-664313; NCI60_022182; 2,6-Bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-3-phenyl-4-heptanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664313	.	.	.	.	466.22	C15H10F12O3	57.5	582	4.4	30	2	15	5	"InChI=1S/C15H10F12O3/c16-12(17,18)10(29,13(19,20)21)6-8(28)9(7-4-2-1-3-5-7)11(30,14(22,23)24)15(25,26)27/h1-5,9,29-30H,6H2"	C1=CC=C(C=C1)C(C(=O)CC(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O	ZLNCPJIQFZRCCT-UHFFFAOYSA-N
DG50487	(2-Benzilamidoethyl)diethylmethylammonium iodide	59252	"102214-85-7; (2-Benzilamidoethyl)diethylmethylammonium iodide; (2-(Benziloylamino)ethyl)diethylmethylammonium iodide; AMMONIUM, (2-(BENZILOYLAMINO)ETHYL)DIETHYLMETHYL-, IODIDE; CHEMBL1989520; NSC659154; NSC-659154"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659154	.	.	.	.	468.4	C21H29IN2O2	49.3	390	.	26	2	3	8	"InChI=1S/C21H28N2O2.HI/c1-4-23(3,5-2)17-16-22-20(24)21(25,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,25H,4-5,16-17H2,1-3H3;1H"	CC[N+](C)(CC)CCNC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[I-]	XYVZCDXGAKQSIE-UHFFFAOYSA-N
DG50488	"Benzimidazole, 5,5'-dithiobis(2-(trifluoromethyl)-"	59453	"NSC659162; NSC-659162; BENZIMIDAZOLE, 5,5'-DITHIOBIS(2-(TRIFLUOROMETHYL)-; 102516-98-3; 2-(Trifluoromethyl)-6-((2-(trifluoromethyl)-1H-benzimidazol-6-yl)dithio)-1H-benzimidazole; 5,5'-Dithiobis(2-trifluoromethylbenzimidazole); NCIStruc1_001822; NCIStruc2_001973; CHEMBL471005; DTXSID00145248; CCG-37739; NCGC00014968; NCI659162; ZINC36385363; 2-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]disulfanyl]-1H-benzimidazole; NCGC00014968-02; NCGC00098068-01; NCI60_020830; 1H-Benzimidazole,5'-dithiobis[2-(trifluoromethyl)-; 5,5'-Dithiobis[2-(trifluoromethyl)-1H-benzimidazole]; Bis(2-(trifluoromethyl)-1H-benzimidazol-6-yl) disulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659162	.	.	.	.	434.4	C16H8F6N4S2	108	514	5	28	2	10	3	"InChI=1S/C16H8F6N4S2/c17-15(18,19)13-23-9-3-1-7(5-11(9)25-13)27-28-8-2-4-10-12(6-8)26-14(24-10)16(20,21)22/h1-6H,(H,23,25)(H,24,26)"	C1=CC2=C(C=C1SSC3=CC4=C(C=C3)N=C(N4)C(F)(F)F)NC(=N2)C(F)(F)F	BJIWXWHVTJMLCI-UHFFFAOYSA-N
DG50489	"Thioacetic acid, S-(alpha-nitromethyl-4-benzyloxy-3-methoxybenzyl) ester"	59622	"NSC664263; 102585-63-7; Thioacetic acid, S-(alpha-nitromethyl-4-benzyloxy-3-methoxybenzyl) ester; Ethanethioic acid, S-(4-(benzyloxy)-3-methoxy-alpha-nitromethylbenzyl) ester; ACETIC ACID, THIO-, S-(4-(BENZYLOXY)-3-METHOXY-alpha-NITROMETHYLBENZYL) ESTER; CHEMBL2004970; DTXSID00907868; s-{1-[4-(benzyloxy)-3-methoxyphenyl]-2-nitroethyl} ethanethioate; NSC-664263; NCI60_022139; S-[1-(4-benzyloxy-3-methoxy-phenyl)-2-nitro-ethyl] ethanethioate; Thioacetic acid S-[4-(benzyloxy)-3-methoxy-alpha-(nitromethyl)benzyl] ester; S-(1-(4-(Benzyloxy)-3-methoxyphenyl)-2-(hydroxy(oxido)amino)ethyl) ethanethioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664263	.	.	.	.	361.4	C18H19NO5S	107	436	3.2	25	0	6	8	"InChI=1S/C18H19NO5S/c1-13(20)25-18(11-19(21)22)15-8-9-16(17(10-15)23-2)24-12-14-6-4-3-5-7-14/h3-10,18H,11-12H2,1-2H3"	CC(=O)SC(C[N+](=O)[O-])C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC	CHFGMZYYHGFBSB-UHFFFAOYSA-N
DG50490	Piroxantrone	59916	"Piroxantrone; 91441-23-5; UNII-YL4TY9WH22; CI-942; PD-111815; YL4TY9WH22; CHEMBL203666; NSC-349174; Oxanthrazole; Oxantrazole; Piroxantrone [INN]; Dup 942; NCS 349174; Oxantrazole; PD 111815;; Piroxantrona; Piroxantronum; Piroxantronum [INN-Latin]; Piroxantrona [INN-Spanish]; 5-((3-aminopropyl)amino)-7,10-dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)dibenzo[cd,g]indazol-6(2H)-one; NSC349174; BRN 4725135; Piroxanthrone; 5-[(3-Aminopropyl)amino]-7,10-dihydroxy-2-{2-[(2-hydroxyethyl)amino]ethyl}dibenzo[cd,g]indazol-6(2H)-one; Bio4F4; Neuro_000181; SCHEMBL93599; Anthra(1,9-cd)pyrazol-6(2H)-one, 5-((3-aminopropyl)amino)-7,10-dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-; DuP-942; SCHEMBL7195166; ZINC1581128; BDBM50183475; MCULE-1187076810; NCI60_003106; Q27294569; (3-aminopropylamino)-dihydroxy-[2-(2-hydroxyethylamino)ethyl][ ]one; 10-(3-aminopropylimino)-6,8-dihydroxy-14-[2-(2-hydroxyethylamino)ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,4,6,8,11,13(16)-hexaen-3-one; 5-(3-Amino-propylamino)-7,10-dihydroxy-2-[2-(2-hydroxy-ethylamino)-ethyl]-2H-dibenzo[cd,g]indazol-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	349174	.	.	.	.	411.5	C21H25N5O4	143	997	-1.1	30	6	9	8	"InChI=1S/C21H25N5O4/c22-6-1-7-24-12-2-3-13-17-16(12)21(30)19-15(29)5-4-14(28)18(19)20(17)25-26(13)10-8-23-9-11-27/h2-5,23,25,27,29-30H,1,6-11,22H2"	C1=CC(=NCCCN)C2=C(C3=C(C=CC(=O)C3=C4C2=C1N(N4)CCNCCO)O)O	UKNVCOILWOLTLJ-UHFFFAOYSA-N
DG50491	"N,N'-Bis(2-(dimethylamino)ethyl)-9,10-anthracenebis(methylamine)"	60242	"N,N'-Bis(2-(dimethylamino)ethyl)-9,10-anthracenebis(methylamine); 108365-87-3; CHEBI:52114; N(1),N(1)'-(anthracene-9,10-diyldimethanediyl)bis(N(2),N(2)-dimethylethane-1,2-diamine); N-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine; NSC622293; BRN 3629218; CHEMBL287188; SCHEMBL9189034; DTXSID10910702; 9,10-ANTHRACENEBIS(METHYLAMINE), N,N'-BIS(2-(DIMETHYLAMINO)ETHYL)-; NSC-622293; NCI60_006478; 9,10-Bis[(2-dimethylaminoethylamino)methyl]anthracene; Q27123249; 9,10-bis-[N-(2-Dimethylaminoethyl)aminomethyl]anthracene; N~1~,N~1'~-[Anthracene-9,10-diylbis(methylene)]bis(N~2~,N~2~-dimethylethane-1,2-diamine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622293	.	.	.	.	378.6	C24H34N4	30.5	374	3.2	28	2	4	10	"InChI=1S/C24H34N4/c1-27(2)15-13-25-17-23-19-9-5-7-11-21(19)24(18-26-14-16-28(3)4)22-12-8-6-10-20(22)23/h5-12,25-26H,13-18H2,1-4H3"	CN(C)CCNCC1=C2C=CC=CC2=C(C3=CC=CC=C31)CNCCN(C)C	NQNIIYOBGWAPDR-UHFFFAOYSA-N
DG50492	Topotecan hydrochloride	60699	"TOPOTECAN HYDROCHLORIDE; 119413-54-6; Topotecan Hcl; Hycamtin; Topotecan (Hydrochloride); Nogitecan hydrochloride; NSC 609699; SK&F S-104864-A; UNII-956S425ZCY; Topotecan hydrochloride [USAN]; NSC609699; SKF 104864A; NSC-609699; 956S425ZCY; NSC-759263; Topotecan Actavis; NCGC00095189-01; Hycamtin (TN); SKF 104864A; NSC 609669; DSSTox_CID_25952; DSSTox_RID_81248; DSSTox_GSID_45952; Topotecan hydrochloride (USAN); SKF 104864A (Hydrochloride);NSC 609669 (Hydrochloride); TOPOTECANHYDROCHLORIDE; CHEMBL1607; Hycamptamine hydrochloride; Topotecan monohydrochloride; (S)-10-((dimethylamino)methyl)-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione hydrochloride; SMR000466344; CAS-119413-54-6; SK&F-S-104864A; NSC 609669; DRG-0288; 9-Dimethylaminomethyl-10-hydroxycamptothecin.; Evotopin; Evotropin; Topotecan teva; nogitecan HCl; Topotecan Hospira; Potactasol (TN); (S)-10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione Hydrochloride; (S)-10-((Dimethylamino)methyl)-4-ethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione monohydrochloride; Topotecan HCl - Hycamtin; SCHEMBL7247; Topotecan (as hydrochloride); Hycamtin (TN) (GlaxoSmith); MLS000759456; MLS001401447; SPECTRUM1505820; Nogitecan hydrochloride (JAN); DTXSID1045952; AOB6645; SKFS 104864A; HMS1922H22; Pharmakon1600-01505820; 10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione hydrochloride; AMY24931; BCP00930; SKF-S 104864-A; Tox21_111478; CCG-37460; HY-13768A; MFCD00866235; NCGC00014925; NCI609699; NK-211; NSC759263; s1231; SK&F-S-104864-A; AKOS015900415; SK&F 104864-A; Tox21_111478_1; AC-1551; CS-1498; KS-1410; NC00177; NSC 759263; NCGC00014925-06; NCGC00095189-02; NCGC00095189-03; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 10-((dimethylamino)methyl)-4-ethyl-4,9-dihydroxy-, monohydrochloride, (S)-; SW197557-5; T-160; D02168; 413T546; E-89/001; 9-Dimethylaminomethyl-10-hydroxycamptothecin, HCl salt; Q27271753; (S)-10-((dimethylamino)methyl)-4-ethyl-4,9-dihydroxy-1H-pyrano[3,4:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione hydrochloride; (S)-10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[l,2-b]quinoline-3,14(4H,12H)-dione monohydrochloride; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline- 3,14(4H,12H)-dione, 10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-, monohydrochloride, (4S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	609699	.	.	.	.	457.9	C23H24ClN3O5	103	867	.	32	3	7	3	"InChI=1S/C23H23N3O5.ClH/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;/h5-8,27,30H,4,9-11H2,1-3H3;1H/t23-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O.Cl	DGHHQBMTXTWTJV-BQAIUKQQSA-N
DG50493	Alocrest	60780	"vinorelbine; alocrest; 71486-22-1; methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate; NSC-760087; inx-0125; SCHEMBL1653160; SCHEMBL16786345; Pharmakon1600-01502272; NSC760087; NCGC00386325-01; NCGC00482514-01; J-525161"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760087	.	.	.	.	778.9	C45H54N4O8	134	1690	3.6	57	2	11	10	"InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28 ,37-,38+,39+,42+,43+,44-,45-/m0/s1"	CCC1=CC2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-BXZSYHTRSA-N
DG50494	Bizelesin	60794	"BIZELESIN; 129655-21-6; UNII-L0O9OBI87E; U-77779; L0O9OBI87E; NSC-615291; Bizelesin [USAN:INN]; 1,3-bis(2-((S)-1-(chloromethyl)-5-hydroxy-8-methyl-1,2,3,6-tetrahydropyrrolo[3,2-e]indole-3-carbonyl)-1H-indol-5-yl)urea; U 77779; U-77,779; NSC 615291; Bizelesin (USAN/INN); SCHEMBL4433; 1,3-Bis(2-(((S)-1-(chloromethyl)-1,6-dihydro-5-hydroxy-8-methylbenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)indol-5-yl)urea; CHEMBL284642; DTXSID00156213; NSC615291; ZINC85536995; DB12352; 1,3-bis[2-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]urea; Benzo(1,2-b:4,3-b')dipyrrol-4-ol, 6,6'-(carbonylbis(imino-1H-indole-5,2-diylcarbonyl))bis(8-(chloromethyl)-3,6,7,8-tetrahydro-1-methyl-, (S-(R*,R*))-; D03137; Q27282553; Benzo[1,3-b']dipyrrol-4-ol, 6,6'-[carbonylbis(imino- 1H-indole-5,2-diylcarbonyl)]bis[8-(chloromethyl)-3,6,7,8-tetrahydro-1-methyl-, [S-(R*,R*)]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615291	.	.	.	.	815.7	C43H36Cl2N8O5	185	1470	6.5	58	8	5	6	"InChI=1S/C43H36Cl2N8O5/c1-19-15-46-39-33(54)11-31-37(35(19)39)23(13-44)17-52(31)41(56)29-9-21-7-25(3-5-27(21)50-29)48-43(58)49-26-4-6-28-22(8-26)10-30(51-28)42(57)53-18-24(14-45)38-32(53)12-34(55)40-36(38)20(2)16-47-40/h3-12,15-16,23-24,46-47,50-51,54-55H,13-14,17-18H2,1-2H3,(H2,48,49,58)/t23-,24-/m1/s1"	CC1=CNC2=C(C=C3C(=C12)[C@@H](CN3C(=O)C4=CC5=C(N4)C=CC(=C5)NC(=O)NC6=CC7=C(C=C6)NC(=C7)C(=O)N8C[C@H](C9=C1C(=CNC1=C(C=C98)O)C)CCl)CCl)O	FONKWHRXTPJODV-DNQXCXABSA-N
DG50495	NSC133100	60907	NSC133100; 6998-60-3; 15105-92-7; MCULE-7826276250; FT-0701680	.	.	Investigative Drug(s)	Investigative	Small molecular drug	133100	.	.	.	.	697.8	C37H47NO12	201	1330	4.9	50	6	12	3	"InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)"	CC1C=CC=C(C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C	HJYYPODYNSCCOU-UHFFFAOYSA-N
DG50496	Octyl gallate	61253	"Octyl gallate; 1034-01-1; Octyl 3,4,5-trihydroxybenzoate; n-Octyl gallate; Progallin O; Stabilizer GA 8; n-Octylgallate; Gallic acid octyl ester; Gallic acid, octyl ester; Gallic acid n-octyl ester; BENZOIC ACID, 3,4,5-TRIHYDROXY-, OCTYL ESTER; Oktylester kyseliny gallove; GA 8 (VAN); NSC 97419; n-Octyl ester of 3,4,5-trihydroxybenzoic acid; UNII-079IIA2811; E311; CHEMBL277346; GA 8; CHEBI:83631; 079IIA2811; Oktylester kyseliny gallove [Czech]; EINECS 213-853-0; BRN 2132305; Gallic acid octyl; Stabilizer GA-8; Gallic acid-octyl ester; Gallic acid n-octyl-ester; DSSTox_CID_20713; DSSTox_RID_79561; DSSTox_GSID_40713; SCHEMBL36234; 4-10-00-02005 (Beilstein Handbook Reference); BIDD:ER0271; WLN: QR BQ CQ EVO8; DTXSID4040713; Octyl 3,4,5-trihydroxybenzoate #; BCP15873; HY-N2011; NSC97419; ZINC1632635; Tox21_300272; BDBM50240376; MFCD00002197; NSC-97419; AKOS009031297; CCG-267265; CM10962; MCULE-8649192489; NCGC00164126-01; NCGC00164126-02; NCGC00164126-03; NCGC00254030-01; AC-20128; AC-34483; AS-10960; CAS-1034-01-1; 3,4,5-Trihydroxy-benzoic acid octyl ester; Benzoic acid,4,5-trihydroxy-, octyl ester; DB-110046; Octyl gallate, analytical reference material; CS-0018331; FT-0626598; G0206; n-Octyl ester of 3,5-trihydroxybenzoic acid; S9338; octyl 3,4,5-trihydroxybenzoate;Octyl gallate; Octyl gallate, antioxidant, >=99.0% (HPLC); A800728; J-000952; Q2317929; Octyl gallate, European Pharmacopoeia (EP) Reference Standard; 65D"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	97419	.	.	.	.	282.33	C15H22O5	87	269	3.7	20	3	5	9	"InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3"	CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O	NRPKURNSADTHLJ-UHFFFAOYSA-N
DG50497	Sudan III	62331	"Sudan III; Solvent red 23; 85-86-9; C.I. Solvent Red 23; Cerasin Red; Cerasinrot; Fettscharlach; Fettrot; Sudan Red III; Oil Red G; Rouge cerasine; Oil Red AS; Organol Scarlet; Stearix Scarlet; Fettponceau G; Pyronalrot B; Fettscharlach LB; Toney Red; Tony Red; Oil Scarlet G; Cerotinscharlach R; Fat Scarlet LB; Oil Scarlet AS; Organol Red BS; Somalia Red III; Soudan III; Motirot 2R; Certiqual Oil Red; Atul Oil Red G; Sudan 3; Fat Red HRR; Fat Red R; Fat Red RS; Sudan G III; Sudan P III; Red ZH; Silotras Scarlet TB; Fat Soluble Red ZH; Oil Red 3G; Schultz No. 31; Fast Oil Scarlet III; Brasilazina Oil Scarlet; Grasal Brilliant Red G; Grasan Brilliant Red G; C.I. 26100; Sudan Red BK; Oil Red 6566; D and C Red No. 17; Red No. 225; FD and C Red No. 17; 1-[4-(Phenylazo)phenylazo]-2-naphthol; D & C Red no. 17; 2-Naphthalenol, 1-[[4-(phenylazo)phenyl]azo]-; Ponceau, insoluble, OLG; 111440 Red; C.I. 23; 1-(4-(Phenylazo)phenylazo)-2-naphthol; Benzeneazobenzeneazo-beta-naphthol; Cerven rozpoustedlova 23; UNII-ND733RX3JN; 1-(Phenylazophenylazo)-2-hydroxynaphthalene; Rot C; Rot G; Sudan III, G; CI 26100; Scarlet B, fat soluble; 1-((4-(Phenylazo)phenyl)azo)-2-naphthalenol; MFCD00003905; ND733RX3JN; Tetrazobenzene-.beta.-naphthol; 2-Naphthol, 1-((p-(phenylazo)phenyl)azo)-; 1-((E)-(4-((E)-phenyldiazenyl)phenyl)diazenyl)naphthalen-2-ol; Fat Red, Bluish; Ponceau, OLG; Benzeneazobenzeneazo-.beta.-naphthol; SolventRed23; Sudan III (C.I. 26100); 1071538-45-8; 2-NAPHTHALENOL, 1-((4-(PHENYLAZO)PHENYL)AZO)-; 2-Naphthalenol, 1-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-; 1-[[p-(Phenylazo)phenyl]azo]-2-naphthol; 2-Naphthol, 1-[[p-(phenylazo)phenyl]azo]-; 1-[[4-(Phenylazo)phenyl]azo]-2-naphthalenol; 1-{[4-(phenyldiazenyl)phenyl]diazenyl}-2-naphthol; Fat Red (bluish); 1-{[4-(phenyldiazenyl)phenyl]diazenyl}naphthalen-2-ol; 1-[(E)-[4-[(E)-phenylazo]phenyl]azo]naphthalen-2-ol; Japan Red 225; Sudan III (G); Scarlet B Fat Soluble; WLN: L66J BNUNR DNUNR&& CQ; Fat Red, Bluish (VAN); Fat Ponceau G; Fat Soluble Sudan; CCRIS 7074; D & C Red #17; Cerven rozpoustedlova 23 [Czech]; 1-((4-[Phenyldiazenyl]phenyl)diazenyl)-2-naphthol; EINECS 201-638-4; NSC 65825; 1-((4-(Phenyldiazenyl)phenyl)diazenyl)naphthalen-2-ol; 1-((p-Phenylazo)phenyl)azo-2-naphthol; BRN 0931185; Sudanrot; 2-Naphthalenol, 1-(2-(4-(2-phenyldiazenyl)phenyl)diazenyl)-; 1-[(E)-[4-[(E)-phenyldiazenyl]phenyl]diazenyl]naphthalen-2-ol; 1-[(E)-{4-[(E)-phenyldiazenyl]phenyl}diazenyl]naphthalen-2-ol; AI3-02854; Oil Red Extra; Sudan  ; Oil Red DR 126; DC Red 17; Sudan IIISolvent Red 23; Sudan III, Technical grade; SCHEMBL52298; 4-16-00-00248 (Beilstein Handbook Reference); SCHEMBL331733; SCHEMBL506289; Sudan III-(naphthyl-[d6]); Sudan III, analytical standard; CHEMBL2001927; DTXSID3041742; SCHEMBL10294618; SCHEMBL11882848; SCHEMBL11882853; SCHEMBL20138219; CHEBI:82535; NSC8995; C.I. Solvent Red 23 (8CI); HY-D0931; NSC-8995; NSC65825; NSC-65825; s5165; STL256855; Sudan Red (chromatographic standard); ZINC12358860; AKOS003581971; AKOS028109139; ZINC100463273; ZINC101109125; ZINC101109132; ZINC245189235; CCG-268054; MCULE-7983983039; Sudan 3 100 microg/mL in Acetonitrile; LS-14923; T804; DB-056885; CS-0016887; FT-0631403; S0142; C19527; E75949; 1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol; Q1187765; 1-((E)-{4-[(E)-phenyldiazenyl]phenyl}diazenyl)-2-naphthol; 1-((E)-(4-((E)-phenyldiazenyl)phenyl)diazenyl)-naphthalen-2-ol; Sudan III, certified by the Biological Stain Commission, BioXtra"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8995	.	.	.	.	352.4	C22H16N4O	69.7	508	5.9	27	1	5	4	"InChI=1S/C22H16N4O/c27-21-15-10-16-6-4-5-9-20(16)22(21)26-25-19-13-11-18(12-14-19)24-23-17-7-2-1-3-8-17/h1-15,27H"	C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O	FHNINJWBTRXEBC-UHFFFAOYSA-N
DG50498	Acridine orange	62344	"Acridine orange; 494-38-2; Acridine Orange Base; Solvent Orange 15; N3,N3,N6,N6-Tetramethylacridine-3,6-diamine; Waxoline Orange A; 3,6-Bis(dimethylamino)acridine; C.I. Solvent Orange 15; Brilliant Acridine Orange E; 3,6-Di(dimethylamino)acridine; Acridine Orange Free Base; Oranz akridinova; Rhoduline Orange N; C.I. 46005B; C.I. No. 46005:1; ACRIDINEORANGE; Acridine, 3,6-bis(dimethylamino)-; N,N,N',N'-Tetramethyl-3,6-acridinediamine; Acridinorange; Oranz rozpoustedlova 15; Acridine Orange NO; Rhoduline Orange NO; UNII-F30N4O6XVV; NSC 194350; 2,8-Bis(dimethylamino)acridine; 3,6-Bis-(dimethylamino)akridin; 3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine; F30N4O6XVV; Rhoduline Orange N, Rhoduline Orange NO; 3,6-ACRIDINEDIAMINE, N,N,N',N'-TETRAMETHYL-; CHEMBL81880; CHEBI:87346; NSC194350; Oranz akridinova [Czech]; 2,8-Bisdimethylaminoacridine; Acridine Orange Stain; Oranz rozpoustedlova 15 [Czech]; N,N,N',N'-Tetramethylacridinediamine; BRN 0020916; 3,6-Bis-(dimethylamino)akridin [Czech]; AO; N,N,N(sup 1),N(sup 1)-Tetramethylacridinediamine; Euchrysine (Salt/Mix); Acridinediamine, N,N,N',N'-tetramethyl-; Rhoduline Orange (Salt/Mix); 4-22-00-05490 (Beilstein Handbook Reference); 3,6-Bis-dimethylaminoacridine; BIDD:GT0571; SCHEMBL297155; Basic Orange 14 (Salt/Mix); Basic Orange 3RN (Salt/Mix); 3, 6-Bis-dimethylaminoacridine; Acridine,6-bis(dimethylamino)-; Acridine Orange NO (Salt/Mix); Rhoduline Orange NO (Salt/Mix); DTXSID60197783; C.I. 46005 (Salt/Mix); ZINC4262317; BDBM50105462; MFCD00005029; Acridine Orange solution, 2% in H2O; AKOS016009859; FS-5125; MCULE-8917876301; NSC-194350; Acridine Orange base, Dye content 75 %; L916; NCI60_001622; N,N',N'-Tetramethyl-3,6-acridinediamine; DB-051628; CS-0022134; FT-0741661; WLN: T C666 BNJ EN1&1 MN1&1; C19315; F19170; [6-(dimethylamino)acridin-3-yl]-dimethyl-amine; N,N,N'',N''-Tetramethyl-acridine-3,6-diamine; A871807; Acridinediamine, N,N,N',N'-tetramethyl- (9CI); Q342717; 3,6-Acridinediamine, N,N,N',N'-tetramethyl- (9CI); N(3),N(3),N(6),N(6)-tetramethylacridine-3,6-diamine; N~3~,N~3~,N~6~,N~6~-Tetramethyl-3,6-acridinediamine; N3,N3,N6,N6-Tetramethylacridine-3,6-diamine (Acridine orange); 3,6-Bis(dimethylamino)acridine Solvent Orange 15; Acridine Orange base;"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	194350	.	.	.	.	265.35	C17H19N3	19.4	298	3.4	20	0	3	2	"InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3"	CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N(C)C	DPKHZNPWBDQZCN-UHFFFAOYSA-N
DG50499	Tetradecylpyridinium bromide	62379	"1155-74-4; 1-tetradecylpyridin-1-ium bromide; TETRADECYLPYRIDINIUM BROMIDE; 1-Tetradecylpyridinium bromide; Myristylpyridinium bromide; Fixanol VR; Morpan TPB; Fylomac 90; UNII-V2WIJ52V0W; Pyridinium, 1-tetradecyl-, bromide (1:1); N-Tetradecylpyridinium bromide; 1-tetradecylpyridin-1-ium;bromide; V2WIJ52V0W; Pyridinium, 1-tetradecyl-, bromide; EINECS 214-586-2; NSC 148339; 2-Cyclopentylethylchloride; DSSTox_CID_22459; DSSTox_RID_80030; DSSTox_GSID_42459; SCHEMBL177665; CHEMBL3181920; DTXSID5042459; Tox21_301239; 2528AA; NSC148339; AKOS015891724; MCULE-5833815773; NSC-148339; NCGC00255864-01; CAS-1155-74-4; A803456; Q27291460"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	148339	.	.	.	.	356.4	C19H34BrN	3.9	184	.	21	0	1	13	"InChI=1S/C19H34N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;/h13,15-16,18-19H,2-12,14,17H2,1H3;1H/q+1;/p-1"	CCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]	HJNAJKBRYDFICV-UHFFFAOYSA-M
DG50500	"2-Thia-1,3,5,7-tetrazaadamantane, 2,2-dioxide"	64164	"2-Thia-1,3,5,7-tetrazaadamantane, 2,2-dioxide; 7020-51-1; NSC160127; Pentamethylenetetramine sulfone; NSC 160127; BRN 0012323; C5H10N4O2S; CHEMBL1993050; SCHEMBL11586299; DTXSID30220471; 2-Thia-1,3,5,7-tetrazatricyclo(3.3.1.1(sup 3,7))decane, 2,2-dioxide; NSC-160127; NCI60_001186; 2-Thia-1,5,7-tetraazaadamantane, 2,2-dioxide; 2-Thia-1,3,5,7-tetraazaadamantane, 2,2-dioxide; 2-Thia-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane 2,2-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	160127	.	.	.	.	190.23	C5H10N4O2S	55.5	274	-0.7	12	0	6	0	InChI=1S/C5H10N4O2S/c10-12(11)8-2-6-1-7(4-8)5-9(12)3-6/h1-5H2	C1N2CN3CN1CN(C2)S3(=O)=O	GIMJMQVYJORODJ-UHFFFAOYSA-N
DG50501	"Phosphinic amide, P,P-bis(1-aziridinyl)-N-(1-adamantyl)-"	64376	"53743-43-4; NSC166199; Phosphinic amide, P,P-bis(1-aziridinyl)-N-(1-adamantyl)-; NSC-166199; NSC 166199; N-[bis(aziridin-1-yl)phosphoryl]adamantan-1-amine; P,P-Bis(1-aziridinyl)-N-(1-adamantyl)-phosphinic amide; Phosphinic amide, P,P-bis(1-aziridinyl)-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-; CHEMBL2006487; DTXSID80202020; ZINC73370141; Phosphinic amide, P,P-bis(1-aziridinyl)-N-tricyclo[3.3.1.1(3.7)]dec-1-yl-; NCI60_001286; Phosphinic amide,P-bis(1-aziridinyl)-N-tricyclo[3.3.1.1(3.7)]dec-1-yl-; Phosphinic amide, P,P-bis(1-aziridinyl)-N-tricyclo(3.3.1.1(3.7))dec-1-yl- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166199	.	.	.	.	281.33	C14H24N3OP	35.1	400	1.8	19	1	4	4	"InChI=1S/C14H24N3OP/c18-19(16-1-2-16,17-3-4-17)15-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,1-10H2,(H,15,18)"	C1CN1P(=O)(NC23CC4CC(C2)CC(C4)C3)N5CC5	MXRAUZXJODDPPN-UHFFFAOYSA-N
DG50502	Mevastatin	64715	"73573-88-3; Compactin; EC 700-442-0; Mevastatin; ML-236B; Mevastatina; Mevastatine; Mevastatinum; Mevastatinum [INN-Latin]; Antibiotic ML 236B; CS 500; UNII-1UQM1K0W9X; ML 236 B; 1UQM1K0W9X; CHEMBL54440; [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate; CHEBI:34848; MFCD05662341; ML236B; Mevastatin [INN]; Compactin (penicillium); Mevastatine [INN-French]; Mevastatina [INN-Spanish]; (1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (S)-2-methylbutanoate; (S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) 2-methylbutanoate; Butanoic acid, 2-methyl-, (1S,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-7-methyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-; SMR000336944; CCRIS 4505; kompaktin; NSC-759322; NCGC00095942-01; Mevastatin- Bio-X; SCHEMBL1116; DSSTox_CID_20684; DSSTox_RID_79540; DSSTox_GSID_40684; Lopac0_000754; MLS000721804; MLS000759452; MLS001424284; MLS002207227; GTPL3031; DTXSID4040684; Mevastatin, >=96% (HPLC); HMS2052P07; HMS2089D10; HMS2232N09; HMS3262G10; HMS3268A19; HMS3412H15; HMS3676H15; HMS3713B06; ZINC3833876; Tox21_111540; Tox21_500754; BDBM50011036; CS-500; NSC779705; s4223; AKOS015994712; Mevastatin, >=95% (HPLC), powder; CCG-101174; CS-1234; DB06693; KS-1085; LP00754; NC00424; NSC 759322; NSC-779705; SDCCGSBI-0050732.P002; 7-(1,2,6,7,8,8a-Hexahydro-2-methyl-8-(2-methylbutyryloxy)naphthyl)-3-hydroxyheptan-5-olide; SMP1_000077; NCGC00025202-04; NCGC00261439-01; (1S,7S,8S,8aR)-8-(2-((2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl(2S)-2-methylbutanoate; BM164666; Butanoic acid, 2-methyl-, (1S,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-7-methyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (2S)-; Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-7-methyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1-alpha(R*),7-beta,8-beta(2S*,4S*),8a-beta))-; HY-17408; I518; Mevastatin 100 microg/mL in Acetonitrile; CAS-73573-88-3; B1788; EU-0100754; M2275; H11997; M 2537; AB00588266-06; AB00588266-08; AB00588266_09; 573M883; A837861; Q414407; SR-01000729493; L-637312; SR-01000729493-4; BRD-K94441233-001-03-1; BRD-K94441233-001-17-1; (1S,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate; (S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-2H-pyran-2-yl)ethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) 2-methylbutanoate; (S)-2-Methyl-butyric acid (1S,7S,8S,8aR)-8-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-7-methyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester; 2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-7-methyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester; 2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-7-methyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester((+)-compactin); 2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-7-methyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester(compactin)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	779705	.	.	.	.	390.5	C23H34O5	72.8	637	3.9	28	1	5	7	"InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1"	CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O	AJLFOPYRIVGYMJ-INTXDZFKSA-N
DG50503	Baker's Antifol	64840	"Baker's Antifol; 21321-03-9; NSC 113423; NSC113423; 4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid; Insoluble baker's antifol; DTXSID50175595; NSC-113423; 1-[((4-Fluorosulfonyl-3-methyl-phenylaminocarbonyl)ethylene)phen-4-; 1-(4-(N-(3'-Methyl-4'-fluorosulfonyl)phenyl)propanamide)phenyl-4,6- diamino-1,2-dihydro-2,2-dimethyl-s-triazine ethanesulfonate dihydrate; 4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methyl-benzenesulfonyl fluoride; ethanesulfonic acid; Benzenesulfonyl fluoride, 4-((3-(4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)-1-oxopropyl)amino)-2-methyl-, monoethanesulfonate (9CI); Benzenesulfonyl fluoride,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]-2-methyl-, monoethanesulfonate; Ethanesulfonic acid, compd. with 4-((3-(4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)-1-oxopropyl)amino)-2-methylbenzenesulfonyl fluoride (1:1) (9CI); Ethanesulfonic acid, compd. with 4-(p-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)hydrocinnamamido)-o-toluenesulfonyl fluoride (1:1) (8CI); Ethanesulfonic acid,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]-2-methylbenzenesulfonyl fluoride (1:1); Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)hydrocinnamamido]-o-toluenesulfonyl fluoride (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113423	.	.	.	.	570.7	C23H31FN6O6S2	214	967	.	38	4	8	7	"InChI=1S/C21H25FN6O3S.C2H6O3S/c1-13-12-15(7-10-17(13)32(22,30)31)25-18(29)11-6-14-4-8-16(9-5-14)28-20(24)26-19(23)27-21(28,2)3;1-2-6(3,4)5/h4-5,7-10,12H,6,11H2,1-3H3,(H,25,29)(H4,23,24,26,27);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)CCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)S(=O)(=O)F	OGONXIUGGALDIV-UHFFFAOYSA-N
DG50504	Ursolic acid	64945	"Ursolic acid; 77-52-1; Prunol; Malol; Urson; 3beta-Hydroxyurs-12-en-28-oic acid; (3beta)-3-Hydroxyurs-12-en-28-oic acid; 3beta-Hydroxy-12-ursen-28-ic acid; ursolic-acid; NSC 167406; UNII-P3M2575F3F; (+)-Ursolic acid; CHEBI:9908; NSC-4060; CHEMBL169; P3M2575F3F; .beta.-Ursolic acid; NSC-167406; (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; 3B-HYDROXYURS-12-EN-28-OIC ACID; NSC 4060; Bungeolic acid; NSC4060; MFCD00009621; SMR000445681; SR-01000779684; EINECS 201-034-0; Micromerol; TNP00103; Uosolic acid; AI3-03109; HSDB 7685; 6Q5; Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-; Prestwick3_000089; Ursolic acid, >=90%; SCHEMBL70205; BSPBio_000018; MLS000728569; MLS002154196; MLS002207073; BPBio1_000020; N-Ethylhydroxylaminehydrochloride; DTXSID70883221; Ursolic acid, analytical standard; 3beta-Hydroxyurs-12-en-28-oate; HMS2095A20; HMS2231P19; (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid; 3beta-hydroxy-Urs-12-en-28-oate; HY-N0140; ZINC3978827; 3 -Hydroxy-12-ursen-28-ic acid; BDBM50148911; 3beta-Hydroxy-12-ursen-28-oic Acid; AKOS005228010; AKOS016023773; 3.beta.-hydroxy-Urs-12-en-28-oate; CCG-208282; CS-3799; DB15588; LMPR0106180007; (3beta)-3-Hydroxyurs-12-en-28-oate; 3beta-hydroxy-Urs-12-en-28-oic acid; (3beta)-3-hydroxy-Urs-12-en-28-oate; AS-35119; 3.beta.-hydroxy-Urs-12-en-28-oic acid; (3beta)-3-hydroxy-Urs-12-en-28-oic acid; AB00513802; N1823; U0065; C08988; 009U621; A839123; Q416260; Urs-12-en-28-oic acid, 3beta-hydroxy- (8CI); Q-201916; SR-01000779684-4; SR-01000779684-5; BRD-K68185022-001-02-3; BRD-K68185022-001-14-8; Ursolic acid, primary pharmaceutical reference standard; AF479D19-631E-48F1-8ABA-FB2A806046FA; (3beta,5beta,18alpha,20beta)-3-hydroxyurs-12-en-28-oic acid; Ursolic acid, European Pharmacopoeia (EP) Reference Standard; Ursolic acid, United States Pharmacopeia (USP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4060	.	.	.	.	456.7	C30H48O3	57.5	874	7.3	33	2	3	1	"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1"	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O	WCGUUGGRBIKTOS-GPOJBZKASA-N
DG50505	"2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(1H-pyrrol-2-yl)-"	64983	"30195-30-3; Ro 5-3335; Ro5-3335; Ro-5-3335; UNII-DLH4T68L7I; 7-Chloro-1,3-dihydro-5-(1H-pyrrol-2-yl)-2H-1,4-benzodiazepin-2-one; 7-chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one; DLH4T68L7I; CHEMBL91609; MLS000736730; 7-Chloro-5-(2-pyrryl)-3H-1,4-benzodiazepin-2(H)-one; 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(1H-pyrrol-2-yl)-; NSC66020; NSC 66020; 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-pyrrol-2-yl-; SMR000528305; NCIOpen2_002953; CBFb-Runx1 inhibitor II; CBF -Runx1 inhibitor II; CBFbeta-Runx1 inhibitor II; MLS003370628; SCHEMBL8844868; ZINC5155; NIOSH/DF2378100; DTXSID20184270; CHEBI:131785; HMS2886K04; EX-A5723; BDBM50032828; NSC-66020; AKOS024458296; NCGC00185960-01; AS-84217; HY-108470; B7697; CS-0028862; DF23781000; 2H-1, 7-chloro-1,3-dihydro-5-pyrrol-2-yl-; Q27887134; 1,3-Dihydro-7-chloro-5-pyrrol-2-yl-2H-1,4-benzodiazepin-2-one; 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-pyrrol-2-yl-; 7-chloro-1,3-dihydro-5-(1H-pyrrol-2-yl)-1,4-benzodiazepin-2-one; 7-chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one; 7-Chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-benzo[e][1,4]diazepin-2-one; 7-chloro-5-(1H-pyrrol-2-yl)-1H-benzo[e][1,4]diazepin-2(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66020	.	.	.	.	259.69	C13H10ClN3O	57.2	371	1.5	18	2	2	1	"InChI=1S/C13H10ClN3O/c14-8-3-4-10-9(6-8)13(11-2-1-5-15-11)16-7-12(18)17-10/h1-6,15H,7H2,(H,17,18)"	C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CN3	XWNMORIHKRROGW-UHFFFAOYSA-N
DG50506	4-(2-Pyridylazo)resorcinol	65069	"4-(2-Pyridylazo)resorcinol; 1141-59-9; 4-(Pyridin-2-yldiazenyl)benzene-1,3-diol; 1,3-Benzenediol, 4-(2-pyridinylazo)-; 4-(2-Pyridlyazo)resorcinol; 4-(2-Pyridylazo)-2-resorcinol; Resorcinol, 4-(2-pyridylazo)-; 1-(2-Pyridylazo)resorcinol; UNII-N68T40H95T; NSC 148355; N68T40H95T; 1,3-Benzenediol, 4-[2-(2-pyridinyl)diazenyl]-; MFCD00006256; 113964-55-9; (e)-4-(pyridin-2-yldiazenyl)benzene-1,3-diol; 16593-81-0; 1,3-Benzenediol, 4-(2-(2-pyridinyl)diazenyl)-; 4-(2-Pyridylazo)resorcinol monosodium salt hydrate; 4-(2-pyridylazo)-1,3-benzenediol; EINECS 214-528-6; Bio4E6; 4(2-pyridylazo)resorcinol; 1, 4-(2-pyridinylazo)-; CBDivE_001331; 4-(2-Pyridylazo) resorcinol; SCHEMBL624305; SCHEMBL2861597; SCHEMBL4953280; DTXSID7061560; 4-(2-Pyridylazo)resorcinol, 96%; ZINC4272044; 4-(2-pyridinylazo)-1,3-benzendiol; NSC148355; NSC794455; ZINC12358850; AKOS015892101; AKOS024348854; ZINC100020159; ZINC100501557; ZINC252626980; MCULE-8230273506; NSC-148355; NSC-794455; BS-43763; U229; DB-041202; 4-(2-Pyridinyldiazenyl)-1,3-benzenediol #; FT-0616557; D88560; 1,3-Benzenediol,4-[2-(2-pyridinyl)diazenyl]-; A894267; W-108605; 4-(2-Pyridylazo)-resorcinol sodium salt (Salt/Mix); Q27284605; 4-(2-Pyridyl-azo)-resorcinol monosodium salt (Salt/Mix)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794455	.	.	.	.	215.21	C11H9N3O2	78.1	247	2.3	16	2	5	2	"InChI=1S/C11H9N3O2/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11/h1-7,15-16H"	C1=CC=NC(=C1)N=NC2=C(C=C(C=C2)O)O	RJNYNDHYSJRRDW-UHFFFAOYSA-N
DG50507	Neocuproine	65237	"Neocuproine; 2,9-Dimethyl-1,10-phenanthroline; 484-11-7; Neocuproin; 1,10-Phenanthroline, 2,9-dimethyl-; 2,9-Dimethylphenanthroline; 2,9-Dimethyl-o-phenanthroline; neo-Cuproin; DMPHEN; NSC4280; UNII-8E7D2SH3BV; 34302-69-7; 8E7D2SH3BV; MLS001194484; GNF-PF-5611; MFCD00004973; SMR000555011; DMPHEN; NSC 4280; Neocuproin; VUF 7738; NSC 4280; EINECS 207-601-9; 2,9-Dimethyl-1,10-phenanthroline hemihydrate, 98%; MEPHEN; 2,10-phenanthroline; Neocuproine, >=98%; 1, 2,9-dimethyl-; NCIMech_000034; Oprea1_068014; cid_65237; 484-11-7 (anhydrous); SCHEMBL124563; CHEMBL375781; DTXSID5060065; BDBM64740; CHEBI:91222; HMS2230M06; HMS3373K19; KUC107774N; ZINC119332; 2,10-dimethyl-1,9-phenanthroline; BCP18357; DNDI1343110; KSC-09-264B; NSC-4280; 2,9-di-methyl-1,10-phenanthroline; 3,6-Dimethyl-4,5-diazaphenanthrene; CCG-16034; CCG-35468; MFCD00149306; AKOS000511700; CS-W004563; MCULE-3651567163; NCGC00245843-01; AS-14894; NCI60_003986; SY010909; DB-050426; D0771; EU-0036872; FT-0610770; Neocuproine, Vetec(TM) reagent grade, 98%; F20419; 2,9-Dimethyl-1,10-phenanthroline  Neocuproine; AB00443806-10; AB00443806-12; A827529; Q409347; J-610070; BRD-K16598630-001-05-7; Z2301294930; 2,9-DIMETHYL-1,10-PHENANTHROLINE, REAGENT (ACS)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4280	.	.	.	.	208.26	C14H12N2	25.8	227	3.3	16	0	2	0	"InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3"	CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C	IYRGXJIJGHOCFS-UHFFFAOYSA-N
DG50508	2-Amino-6-methoxypurine	65275	"2-Amino-6-methoxypurine; 20535-83-5; 6-Methoxyguanine; O6-Methylguanine; 6-methoxy-9H-purin-2-amine; 6-Methoxy-7H-purin-2-amine; 6-O-Methylguanine; O-(6)-Methylguanine; 1H-Purin-2-amine, 6-methoxy-; Purine, 2-amino-6-methoxy-; 6-Methoxy-1H-purine-2-amine; O(sup 6)-Methylguanine; O-Methylguanine; UNII-9B710FV2AE; MFCD00133009; 9B710FV2AE; CHEMBL226395; NSC37364; 6-METHOXY-1H-PURIN-2-AMINE; O(6)-methylguanine; NSC 37364; 6GO; 9H-PURIN-2-AMINE, 6-METHOXY-; O6-MeG; 2-amino-6-methoxy purine; NCIMech_000186; 6-O-Methylguanine, 97%; DSSTox_CID_29365; DSSTox_RID_83480; DSSTox_GSID_49405; MLS001074870; SCHEMBL231097; BDBM5470; DTXSID9049405; CHEBI:20689; 6-Methoxy-7H-purin-2-amine #; AMY3380; O6-Substituted Guanine Deriv. 1; HMS2231D13; HMS3370E06; BCP30956; ZINC4770610; Tox21_202966; BBL101282; CCG-35441; NSC-37364; STL555078; AKOS005257755; AKOS015914255; Purine, 2-amino-6-methoxy- (8CI); CS-W014307; LS20599; MB00722; MCULE-4539018382; NCGC00247006-01; NCGC00260512-01; NCI60_003482; P393; SMR000568400; SY036172; TS-00127; 2-Amino-6-methoxypurine;6-O-Methylguanine; CAS-20535-83-5; DB-045270; A1151; FT-0638008; FT-0671802; 6-O-Methylguanine (2-Amino-6-Methoxypurine); W13855; 535A835; A814660; Q4641549; W-201791; 6-methoxy-7H-purin-2-amine;2-Amino-6-methoxypurine; BRD-K99514692-001-06-7; 6-O-Methylguanine (2-Amino-6-Methoxypurine), Pharmaceutical Secondary Standard; Certified Reference Material"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37364	.	.	.	.	165.15	C6H7N5O	89.7	166	-0.2	12	2	5	1	"InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)"	COC1=NC(=NC2=C1NC=N2)N	BXJHWYVXLGLDMZ-UHFFFAOYSA-N
DG50509	Epirubicin hydrochloride	65348	"Epirubicin hydrochloride; Pharmorubicin; 56390-09-1; Ellence; Epirubicin HCl; Farmorubicin; Farmorubicina; 4'-Epidoxorubicin hydrochloride; Epirubicin Ebewe; epirubicin (hydrochloride); IMI-28; UNII-22966TX7J5; MLS001401404; NSC 256942; Pidorubicin; 22966TX7J5; 4'-epi-Adriamycin hydrochloride; NSC-759195; SMR000466308; 56390-09-1 (HCl); (8S,10S)-10-(((2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride; Epirubitec; Epidoxorubicin hydrochloride; (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride; CCRIS 4477; EINECS 260-145-2; 25316-40-9; Ellence (TN); 4'-epi-Doxorubicin; Epirubicin hydrochlorid; 4'-epidoxorubicin HCl; CPD000466308; Epirubicin hydrochloride [USAN:USP:JAN]; E-ADM; 4'-epi-DX; SCHEMBL3165; (1S,3S)-3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside hydrochloride; MLS000759412; 4-Epidoxorubicin hydrochloride; CHEMBL1200981; DTXSID50860297; Pharmakon1600-01505708; AMY10308; EX-A2654; Epirubicin HCl (4'-epidoxorubicin); HY-13624A; MFCD00941448; NSC759195; s1223; WP-697; Epirubicin hydrochloride (JP17/USP); BCP9000651; CCG-100950; CS-1773; NC00200; (8S-cis)-10-((3-Amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxynaphthacene-5,12-dione hydrochloride; 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-; 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-arabinohexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S,10S)-; AS-75323; Epirubicin hydrochloride, >=90% (HPLC); D02214; D83113; SR-01000763557; Q-101406; SR-01000763557-3; Q27253634; Epirubicin hydrochloride, British Pharmacopoeia (BP) Reference Standard; Epirubicin hydrochloride, European Pharmacopoeia (EP) Reference Standard; Epirubicin hydrochloride, United States Pharmacopeia (USP) Reference Standard; (8S,10S)-10-((2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride; (8S,10S)-10-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione hydrochloride; 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, hydrochloride (1:1), (8S,10S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759195	.	.	.	.	580	C27H30ClNO11	206	977	.	40	7	12	5	"InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22-,27-;/m0./s1"	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.Cl	MWWSFMDVAYGXBV-FGBSZODSSA-N
DG50510	Glaziovine	65631	"Glaziovine; 17127-48-9; Glaziovina; Suavedol; Glaziovine, L-; N-Methylcrotsparine; NSC141545; NSC-146052; Crotsparine, 6-methyl-; 6'-Hydroxy-5'-methoxy-1'-methyl-2',3',8',8a'-tetrahydro-1'H-spiro[cyclohexa[2,5]diene-1,7'-cyclopenta[ij]isoquinolin]-4-one; Glaziovinum; P.M. 297; (+/-)-2',3',8',8a'-Tetrahydro-6'-hydroxy-5'-methoxy-1'-methylspiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one; Glaziovine [INN]; (+-)-Glaziovine; 6808-72-6; Glaziovinum [INN-Latin]; Glaziovina [INN-Spanish]; glaziovinae; NSC 146052; C09457; (.+-.)-Glaziovine; AI3-34588; AC1L9CHE; Glaziovine, (.+-.)-; SCHEMBL554440; CHEMBL1980854; AOB5615; DTXSID90864739; NSC146052; NSC-141545; NCI60_000910; 2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-GLUCOPYRANOSYLBROMIDE; (1R)-2,3,8,8a-Tetrahydro-6-hydroxy-5-methoxy-1-methylspiro[cyclopent[ij]isoquinoline-7(1H),1'-[2,5]cyclohexadien]-4'-one; (1S)-2,3,8,8a-Tetrahydro-6-hydroxy-5-methoxy-1-methylspiro[cyclopent[ij]isoquinoline-7(1H),1'-[2,5]cyclohexadien]-4'-one; 11-hydroxy-10-methoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one; Spiro(2,5-cyclohexadiene-1,7'(1'H)-cyclopent(ij)isoquinolin)-4-one, 2',3',8',8'a-tetrahydro-6'-hydroxy-5'-methoxy-1'-methyl-, (+-)- (9CI); Spiro[2,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-6'-hydroxy-5'-methoxy-1'-methyl-, (.+-.)-; Spiro[2,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-6'-hydroxy-5'-methoxy-1'-methyl-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141545	.	.	.	.	297.3	C18H19NO3	49.8	525	2.2	22	1	4	1	"InChI=1S/C18H19NO3/c1-19-8-5-11-9-14(22-2)17(21)16-15(11)13(19)10-18(16)6-3-12(20)4-7-18/h3-4,6-7,9,13,21H,5,8,10H2,1-2H3"	CN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)O)OC	PNJUPRNTSWJWAX-UHFFFAOYSA-N
DG50511	Procodazole	65708	"Procodazole; 23249-97-0; 3-(1H-Benzimidazol-2-yl)propanoic acid; 2-Benzimidazolepropionic acid; Propazol; 1H-Benzimidazole-2-propanoic acid; Procodazol; UNII-SG5IU7FD3R; NSC35790; 3-(1H-benzo[d]imidazol-2-yl)propanoic acid; NSC 35790; 3-(1H-Benzoimidazol-2-yl)-propionic acid; 3-(1H-1,3-Benzodiazol-2-Yl)Propanoic Acid; NSC-35790; SG5IU7FD3R; Propionic acid, 2-(2-benzimidazolyl)-; CHEMBL596009; Propazol;2-Benzimidazolepropionic acid; AL-1241; NCGC00013414-03; Estimulocel; DSSTox_CID_25093; DSSTox_RID_80666; DSSTox_GSID_45093; Procodazole [INN]; Procodazolum; Propazole; Procodazol [INN-Spanish]; Procodazolum [INN-Latin]; CAS-23249-97-0; 2-(2-Carboxyethyl)benzimidazole; beta-(2-Benzimidazole)propionic acid; beta-(2-Benzimidazolyl)propionic acid; BRN 0156920; 2-BENZIMIDAZOLEPROPIONICACID; 4BX; Estimulocel (Salt/Mix); NCIStruc1_000049; NCIStruc2_000216; Oprea1_461552; Oprea1_527552; 5-25-04-00311 (Beilstein Handbook Reference); SCHEMBL349966; 2-benzimidazole propionic acid; 2-benzimidazole-propionic acid; IFLab1_003962; DTXSID5045093; ZINC51581; CHEBI:134840; HMS1423E02; HMS3264A18; Pharmakon1600-01506175; ALBB-016689; HY-B1056; NCI35790; 2-Benzimidazolepropionic acid, 97%; Tox21_110025; 7893AD; BBL004542; BDBM50305668; CCG-36559; MFCD00041215; NCGC00013414; NSC760399; s4408; STK387005; AKOS000200796; Tox21_110025_1; CS-4578; MCULE-3731847757; NSC-760399; .beta.-(2-Benzimidazole)propionic acid; Propionic acid, 3-(2-benzimidazolyl)-; .beta.-(2-Benzimidazolyl)propionic acid; NCGC00013414-02; NCGC00013414-04; NCGC00096529-01; NCGC00096529-02; BP-13182; CS-10157; NCI60_003248; TS-02680; 1H-Benzimidazole-2-propanoic acid (9CI); 3-(1H-Benzimidazol-2-yl)propanoic acid #; Et2-N-4,5,6,7-4HBzthiophene carboxylate; BB 0219682; FT-0688794; SW219817-1; EN300-13260; E78041; AB00442573-04; AB00442573_05; AB00442573_06; SR-01000944283; J-640101; J-800103; SR-01000944283-1; BRD-K54824716-001-01-6; Q27289198; Z57115077; F0852-0156"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35790	.	.	.	.	190.2	C10H10N2O2	66	220	1.1	14	2	3	3	"InChI=1S/C10H10N2O2/c13-10(14)6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)"	C1=CC=C2C(=C1)NC(=N2)CCC(=O)O	XYWJNTOURDMTPI-UHFFFAOYSA-N
DG50512	Phenosafranin	65732	"Phenosafranin; 81-93-6; Phenosafranine; 3,7-diamino-5-phenylphenazin-5-ium chloride; Phenosafranine, chloride; Phenosafrinine; Phenosofranine; Phenosofrinine; 3,7-Diamino-5-phenylphenazinium chloride; Safranin B Extra; Safrinin B Extra; Schultz No. 958; UNII-47U3T2FC2W; C.I. 50200; Phenazinium, 3,7-diamino-5-phenyl-, chloride; 47U3T2FC2W; CHEBI:33601; 10-phenylphenazin-10-ium-2,8-diamine;chloride; MFCD00036335; C18H15ClN4; Phenazinium,7-diamino-5-phenyl-, chloride; WLN: T C666 BK INJ BR& EZ MZ &G; NSC 9855; EINECS 201-387-0; WLN: T C666 BK INJ BR& EZ MZ &G &9/26; NSC 215209; Phenosafranin(CI 50200); SCHEMBL41415; CHEMBL1968093; NSC9855; Phenosafranin, Dye content 80 %; DTXSID701001694; AMY22408; NSC-9855; NSC215209; AKOS015902749; MCULE-9739570815; NSC-215209; FT-0673708; X6897; Phenazinium,2,8-diamino-10-phenyl-,chloride(1:1); Phenazinium,2,8-diamino-10-phenyl-, chloride (1:1); Q11697891"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9855	.	.	.	.	322.8	C18H15ClN4	68.8	355	.	23	2	4	1	"InChI=1S/C18H14N4.ClH/c19-12-6-8-15-17(10-12)22(14-4-2-1-3-5-14)18-11-13(20)7-9-16(18)21-15;/h1-11H,(H3,19,20);1H"	C1=CC=C(C=C1)[N+]2=C3C=C(C=CC3=NC4=C2C=C(C=C4)N)N.[Cl-]	SOUHUMACVWVDME-UHFFFAOYSA-N
DG50513	Fotretamine	65800	"Fotretamine; Fotrin; Photrinum; Fortrin; Photrine; 37132-72-2; UNII-7Z7670589C; Monomorpholine, pentaethyleneiminotriphosphonitrile; MLS003115104; 12712-32-2; NSC-216135; NCGC00160420-01; Photrin; 7Z7670589C; 4-[2,4,4,6,6-pentakis(aziridin-1-yl)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-trien-2-yl]morpholine; Fotretamine [INN]; Fotretaminum [Latin]; Fotretamina [Spanish]; Fotretamina; Fotretaminum; NSC 216135; BRN 1057273; 2,2,4,4,6-Pentaethylenimino-6-morpholino-cyclotriphosphazatrien; DSSTox_CID_28613; DSSTox_RID_82883; DSSTox_GSID_48687; 1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6-pentakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-6-(4-morpholinyl)-; CHEMBL471525; SCHEMBL2038570; DTXSID5048687; 2,2,4,4,6-pentaethyleneimino-6-morpholinocyclotriphosphazatriene; ZINC8214568; Tox21_113075; NSC216135; STK675369; Methyl(S)-1-Boc-3-piperidineacetate; AKOS005593876; MCULE-1619516162; NCGC00160420-02; 2,2,4,4,6-Pentakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-6-(4-morpholinyl)-1,3, 5,2,4,6-triazatriphosphorine; 2,2,4,4,6-Pentakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-6-morpholino-1,3,5,2,4,6-triazatriphosphorine; NCI60_001806; SMR001830687; CAS-37132-72-2; SR-01000884003; SR-01000884003-1; Q27269062; 1,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6-pentakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-6-(4-morpholinyl)-; 2,2,4,4,6-pentakis(aziridin-1-yl)-6-(morpholin-4-yl)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine; 4-[2,4,4,6,6-penta(1-aziranyl)-1,3,5,2lambda,4lambda,6lambda-triazatriphosphinin-2-yl]morpholine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	216135	.	.	.	.	431.35	C14H28N9OP3	64.599	751	0.5	27	0	10	6	"InChI=1S/C14H28N9OP3/c1-2-18(1)25(19-3-4-19)15-26(20-5-6-20,21-7-8-21)17-27(16-25,22-9-10-22)23-11-13-24-14-12-23/h1-14H2"	C1CN1P2(=NP(=NP(=N2)(N3CC3)N4CCOCC4)(N5CC5)N6CC6)N7CC7	SCGZIPCHOAVGCL-UHFFFAOYSA-N
DG50514	Steffimycin	66363	"Steffimycin; Steffisburgensimycin; Antibiotic U 20661; 11033-34-4; NSC93419; 4-(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione; U 20661; Streptomyces steffisburgensis var. steffisburgerensis sp.n. antibiotic; NSC-93419; Steffimycin(USAN; Steffisburgensimycin*; Steffimycin (USAN/INN); CHEMBL29627; NCI60_042083; D05924; 1,11(2H)-Naphthacenetrione, 4-[(6-deoxy-2-O-methyl-.alpha.-L-mannopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-; 1,11(2H)-Naphthacenetrione, 4-[(6-deoxy-2-O-methylhexopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-; 1,6,11(2H)-Naphthacenetrione, 4-((6-deoxy-2-O-methyl-.alpha.-L-mannopyranosyl)oxy)-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-; 1,6,11(2H)-Naphthacenetrione, 4-((6-deoxy-2-O-methylhexopyranosyl)oxy)-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-; 3,10,12-Trihydroxy-2,8-dimethoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-naphthacenyl 6-deoxy-2-O-methylhexopyranoside #; 4-(4,5-Dihydroxy-3-methoxy-6-methyl-tetrahydro-pyran-2-yloxy)-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-3,4-dihydro-2H-naphthacene-1,6,11-trione; 4-(4,5-dihydroxy-3-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93419	.	.	.	.	574.5	C28H30O13	199	1040	0.3	41	5	13	5	"InChI=1S/C28H30O13/c1-9-18(30)22(34)24(38-4)27(40-9)41-23-17-13(25(35)28(2,36)26(23)39-5)8-12-16(21(17)33)20(32)15-11(19(12)31)6-10(37-3)7-14(15)29/h6-9,18,22-24,26-27,29-30,33-34,36H,1-5H3"	CC1C(C(C(C(O1)OC2C(C(C(=O)C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=C(C=C5O)OC)(C)O)OC)OC)O)O	HWMJTJZEJBSVCG-UHFFFAOYSA-N
DG50515	Anthelmycin	66365	"Anthelmycin; Hikizimycin; 12706-94-4; NSC337588; 4-amino-1-[5-amino-6-[1-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6-pentahydroxyhexyl]-3,4-dihydroxyoxan-2-yl]pyrimidin-2-one; Antelmycin (INN); NSC-337588; CHEMBL2001051; 2(1H)-Pyrimidinone, 4-amino-1-[4-amino-6-O-(3-amino-3-deoxy-.beta.-D-glucopyranosyl)-4-deoxy-D-glycero-D-galacto-.beta.-D-gluco-undecopyranosyl]-; NCI60_002962; C22192; D02951"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	337588	.	.	.	.	583.5	C21H37N5O14	341	930	-8.5	40	13	16	10	"InChI=1S/C21H37N5O14/c22-7-1-2-26(21(37)25-7)19-16(36)12(32)9(24)17(39-19)18(15(35)14(34)10(30)5(29)3-27)40-20-13(33)8(23)11(31)6(4-28)38-20/h1-2,5-6,8-20,27-36H,3-4,23-24H2,(H2,22,25,37)"	C1=CN(C(=O)N=C1N)C2C(C(C(C(O2)C(C(C(C(C(CO)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O)N)O)O	VQQSDVBOXQHCHU-UHFFFAOYSA-N
DG50516	Methylestradiol	66413	"Methylestradiol; 17-Methylestradiol; 302-76-1; UNII-08IS5358PS; 17-alpha-Methyloestradiol-17-beta; CHEMBL1627631; CHEBI:34179; 08IS5358PS; 17alpha-Methylestradiol; (8R,9S,13S,14S,17S)-13,17-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol; 17.alpha.-Methylestradiol; EINECS 206-128-5; NSC 52245; SCHEMBL3867797; DTXSID401016541; NSC52245; ZINC4721763; BDBM50369743; EM-519; NSC-52245; Q27115877; Estra-1,5(10)-triene-3,17.beta.-diol, 17-methyl-; Estra-1,3,5(10)-triene-3,17beta-diol, 17-methyl- (8CI); Estra-1,5(10)-triene-3,17-diol, 17-methyl-, (17.beta.)-; Estra-1,3,5(10)-triene-3,17-diol, 17-methyl-, (17beta)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	52245	.	.	.	.	286.4	C19H26O2	40.5	422	4.2	21	2	2	0	"InChI=1S/C19H26O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h4,6,11,15-17,20-21H,3,5,7-10H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=C3C=CC(=C4)O	JXQJDYXWHSVOEF-GFEQUFNTSA-N
DG50517	Xanthoxyletin	66548	"Xanthoxyletin; 84-99-1; Xanthoxylin N; 5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one; UNII-69MPX4M5VD; 69MPX4M5VD; NSC 35542; Xanthoxylin N; CHEBI:69929; 5-Methoxy-8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one; Xanthoxyloin; NSC 35542; MLS000876794; CHEMBL501358; MEGxp0_001370; SCHEMBL5793283; ACon1_000545; DTXSID70232891; HMS2269F07; NSC35542; ZINC1668225; BDBM50428432; NSC-35542; AKOS032962595; MCULE-7060224168; NCGC00168976-01; NCI60_003203; SMR000440571; XX163678; 5-methoxy-2,2-dimethyl-pyrano[3,2-g]chromen-8-one; BRD-K28556256-001-01-3; Q27138273; 2H,2-b:5,4-b']dipyran-2-one, 5-methoxy-8,8-dimethyl-; 2-Propenoic acid,2-dimethyl-2H-1-benzopyran-6-yl)-, .delta.-lactone; 2H,8H-Benzo(1,2-b:5,4-b')dipyran-2-one, 5-methoxy-8,8-dimethyl-; 5-Methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one,9CI; NCGC00168976-02!5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35542	.	.	.	.	258.269	C15H14O4	44.8	437	2.8	19	0	4	1	"InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3"	CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C	JSJIIHRNDMLJGK-UHFFFAOYSA-N
DG50518	"Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-"	66662	"Antioxidant 80; 90-68-6; Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-; NSC62914; UNII-K720MI5DT8; Phenol, 2,6-bis((3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl)methyl)-4-methyl-; K720MI5DT8; 2,6-bis[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol; NSC-62914; 2,6-BIS[[3-(TERT-BUTYL)-2-HYDROXY-5-TOLYL]METHYL]-4-METHYLPHENOL; Mesitol,.alpha.6-bis(5-tert-butyl-6-hydroxy-m-tolyl)-; 2,6-Bis((3-(tert-butyl)-2-hydroxy-5-tolyl)methyl)-4-methylphenol; Phenol,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-; NSC67516; EINECS 202-011-8; NSC 62914; NCIStruc1_001191; NCIStruc2_001350; SCHEMBL39149; CHEMBL1481029; DTXSID2059013; KUC110437N; NCI62914; ZINC1691387; CCG-37269; NCGC00013736; NSC-67516; 2,6-BIS(3-TERT-BUTYL-2-HYDROXY-5-METHYLBENZYL)-4-METHYLPHENOL; AKOS024428965; MCULE-5556861395; NCGC00013736-02; NCGC00096847-01; KSC-261-77-2; NCI60_009464; 2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol; p-Cresol, 2,6-bis(2-hydroxy-3-tert-butyl-5-methylbenzyl); 2,6-bis(2-hydroxy-3-tert-butyl-5-methylbenzyl)-4-methylphenol; 2,6-bis(2'-hydroxy-3'-tert-butyl-5-methylbenzyl)-4-methylphenol; 2,6-di (3-tert-butyl-5-methyl-2-hydroxybenzyl) -4-methylphenol; Mesitol, .alpha.2,.alpha.6-bis(5-tert-butyl-6-hydroxy-m-tolyl)-; Mesitol, alpha2,alpha6-bis(5-tert-butyl-6-hydroxy-m-tolyl)- (8CI); 6,6'-((2-Hydroxy-5-methyl-1,3-phenylene)bis(methylene))bis(2-(tert-butyl)-4-methylphenol)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	62914	.	.	.	.	460.6	C31H40O3	60.7	592	9.1	34	3	3	6	"InChI=1S/C31H40O3/c1-18-10-21(16-23-12-19(2)14-25(28(23)33)30(4,5)6)27(32)22(11-18)17-24-13-20(3)15-26(29(24)34)31(7,8)9/h10-15,32-34H,16-17H2,1-9H3"	CC1=CC(=C(C(=C1)CC2=C(C(=CC(=C2)C)C(C)(C)C)O)O)CC3=C(C(=CC(=C3)C)C(C)(C)C)O	LKALLEFLBKHPTQ-UHFFFAOYSA-N
DG50519	4'-Chloro-3-hydroxy-2'-methyl-2-naphthanilide	66718	"92-76-2; 4'-Chloro-3-hydroxy-2'-methyl-2-naphthanilide; n-(4-chloro-2-methylphenyl)-3-hydroxy-2-naphthamide; Naphthol AS-TR; Naphtanilide TR; Naphthoide TR; Azoground TR; Naphtazol TR; Solunaptol CTL; Solunaptol CTX; Brenthol CT; Acna Naphthol T; Cibanaphthol RCT; Sanatol TR; Naftolo MTR; Amarthol AS-TR; Tulathol AS-TR; Naphtol AS-TR; Daito Grounder TR; Naphtol AS-TRLL; Azoic Coupling Component 8; Anthonaphthol AS-TR; Naphtol AS-TR Supra; N-(4-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide; Amanil Naphthol AS-TR; Naphthol AS-TR Dispersible; 2-Naphthalenecarboxamide, N-(4-chloro-2-methylphenyl)-3-hydroxy-; C.I. Azoic Coupling Component 8; C.I. 37525; 2-Naphtho-o-toluidide, 4'-chloro-3-hydroxy-; EINECS 202-187-6; NSC 50686; NCIOpen2_007776; SCHEMBL825861; DTXSID2059065; ZINC57431; AMY31438; N-(4-chloro-2-methyl-phenyl)-3-hydroxy-naphthalene-2-carboxamide; NSC50686; NSC59807; NSC-50686; NSC-59807; 2,2-diethoxyethylsulfanylmethylbenzene; AKOS003381950; MCULE-2719482959; s12002; C.I.37525; DB-057327; CS-0321823; FT-0631455; 3-hydroxy-2-naphthoic 4-chloro-2-methylanilide; 4\\'-Chloro-3-hydroxy-2\\'-methyl-2-naphthanilide; A844331; 2-Naphtho-o-toluidide, 4'-chloro-3-hydroxy- (8CI); 5-BROMO-6-CHLORO-3-INDOLYLBETA-D-GLUCURONIDECYCLOHEXYLAMMONIUMSALT"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50686	.	.	.	.	311.8	C18H14ClNO2	49.3	403	5.2	22	2	2	2	"InChI=1S/C18H14ClNO2/c1-11-8-14(19)6-7-16(11)20-18(22)15-9-12-4-2-3-5-13(12)10-17(15)21/h2-10,21H,1H3,(H,20,22)"	CC1=C(C=CC(=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2O	PSRNXESQSJEQMN-UHFFFAOYSA-N
DG50520	4'-Chloro-3-hydroxy-2-naphthanilide	66720	"Naphthol AS-E; 92-78-4; 4'-Chloro-3-hydroxy-2-naphthanilide; N-(4-Chlorophenyl)-3-hydroxy-2-naphthamide; Azoic Coupling Component 10; 2-Naphthalenecarboxamide, N-(4-chlorophenyl)-3-hydroxy-; Amanil Naphthol AS-E; Naphtanilide E; Cibanaphthol RC; Naphtoelan E; Naphtazol E; Sanatol E; Daito Grounder E; Acna Naphthol PC; Amarthol AS-E; Tulathol AS-E; Hiltonaphthol AS-E; N-(4-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide; Naphthol ACNA PC; C.I. Azoic Coupling Component 10; Naphtol AS-E Supra; nAS-E; C.I. 37510; UNII-8V561WAE43; CHEMBL65653; 8V561WAE43; N-(4-chlorophenyl)-3-hydroxy-naphthalene-2-carboxamide; EINECS 202-189-7; NSC 50684; CBMicro_013654; EC 202-189-7; Oprea1_676950; SCHEMBL2743095; DTXSID7059066; OHAXNCGNVGGWSO-UHFFFAOYSA-; ZINC291003; NSC50684; SMSF0005400; BDBM50091999; MFCD00021639; NSC-50684; NSC751298; AKOS008973402; CB05876; MCULE-5600590222; NSC-751298; 2-Naphthanilide, 4'-chloro-3-hydroxy-; BIM-0013553.P001; C.I.37510; DB-057331; HY-104068; 4'-CHLORO-3-HYDROXY-2-NAPTHANILIDE; CS-0028070; FT-0631456; 2-Naphthanilide, 4'-chloro-3-hydroxy- (8CI); 021N639; A844347; SR-01000200943; SR-01000200943-1; W-100272; N-(4-Chlorophenyl)(3-hydroxy(2-naphthyl))carboxamide; N-(4-chlorophenyl)-3-hydroxy-2-naphthalenecarboxamide; Q27271063; 3-Hydroxy-naphthalene-2-carboxylic acid (4-chloro-phenyl)-amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751298	.	.	.	.	297.7	C17H12ClNO2	49.3	368	4.8	21	2	2	2	"InChI=1S/C17H12ClNO2/c18-13-5-7-14(8-6-13)19-17(21)15-9-11-3-1-2-4-12(11)10-16(15)20/h1-10,20H,(H,19,21)"	C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl)O	OHAXNCGNVGGWSO-UHFFFAOYSA-N
DG50521	4-Chloro-3-nitrophenyl methyl sulfone	66796	"97-07-4; 4-Chloro-3-nitrophenyl methyl sulfone; 1-chloro-4-(methylsulfonyl)-2-nitrobenzene; 3-Nitro-4-chloro phenyl methyl sulfone; Benzene, 1-chloro-4-(methylsulfonyl)-2-nitro-; 1-Chloro-4-(methylsulphonyl)-2-nitrobenzene; 1-chloro-4-methylsulfonyl-2-nitrobenzene; 2-nitro-4-methylsulfonylchlorobenzene; 2-chloro-5-methylsulfonylnitrobenzene; 3-Nitro-4-chlorophenyl methyl sulfone; (4-Chloro-3-nitrophenyl) methyl sulfone; UNII-2CL5F050J7; 2CL5F050J7; 1-chloro-4-methanesulfonyl-2-nitrobenzene; 1-Chloro-4-methanesulfonyl-2-nitro-benzene; NSC25818; EINECS 202-557-7; NSC 25818; 2-MORPHOLINOPYRIDINE96; SCHEMBL1097803; DTXSID7059147; AMY3553; ALBB-023149; ZINC1509333; 4-methylsulfonyl-2-nitrochlorobenzene; MFCD00039754; NSC-25818; STL356763; 2-chloro-5-methylsulphonylnitrobenzene; 4-chloro-3-nitrophenyl-methyl sulfone; AKOS000115071; AC-4576; CS-W010324; MCULE-6557797798; 2-Chloro-5-(methylsulfonyl)nitrobenzene; Sulfone, 4-chloro-3-nitrophenyl methyl; AS-13446; I295; 3-NITRO-4-CHLORO phenylmethyl SULFONE; DB-057662; FT-0618094; 1-chloranyl-4-methylsulfonyl-2-nitro-benzene; 1-chloro-4-(methylsulfonyl)-2-nitro-benzene; EN300-01530; Sulfone, 4-chloro-3-nitrophenyl methyl (8CI); 097N074; A845679; W-100119; Q27894519; (4-chloro-3-nitrophenyl)(methyl)dioxo-lambda~6~-sulfane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	25818	.	.	.	.	235.65	C7H6ClNO4S	88.3	318	1.5	14	0	4	1	"InChI=1S/C7H6ClNO4S/c1-14(12,13)5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3"	CS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]	JAANTSGNTKWLFA-UHFFFAOYSA-N
DG50522	"Bis(2,4-diamino-5-methylphenyl)methane"	66799	"97-22-3; Bis(2,4-diamino-5-methylphenyl)methane; Tetraaminoditolylmethane; Bis(2,4-TDA)methane; Methylenebis(toluenediamine); Bis(2,4-tolylenediamine)methane; 4,4'-methanediylbis(6-methylbenzene-1,3-diamine); Bis(3-methyl-4,6-diaminophenyl)methane; NSC7215; Bis-5,5'-(2,4,2',4'-tetraminotolyl)methane; UNII-MJ1JBD08F0; 4-[(2,4-diamino-5-methylphenyl)methyl]-6-methylbenzene-1,3-diamine; MJ1JBD08F0; NSC-7215; 5,4-toluenediamine); BIS-(2,4-DIAMINO-5-METHYLPHENYL)METHANE; Toluene-2, 5,5'-methylenedi-; Toluene-2, 5,5'-methylenebis-; 1, 4,4'-methylenebis[6-methyl-; NSC 37147; 4,6,6'-Tetraamino-3,3'-dimethyldiphenylmethane; BRN 3366624; 4,4',6,6'-Tetraamino-3,3'-dimethyldiphenylmethane; 5,5'-Methylenebis(2,4-toluenediamine); Bis(3-methyl-4,6-diaminophenyl) methane; Toluene-2,4-diamine, 5,5'-methylenedi-; Bis(2,4,2',4'-tetraamino-5,5'-tolyl)methane; 1,3-Benzenediamine, 4,4'-methylenebis(6-methyl-; Toluene-2,4-diamine, 5,5'-methylenebis-; NCIStruc1_000036; NCIStruc2_000228; 0-13-00-00342 (Beilstein Handbook Reference); CHEMBL1452316; SCHEMBL13498773; DTXSID70242657; NCI7215; NSC37147; ZINC1683373; CCG-37736; NCGC00013073; NSC-37147; AKOS022507305; NCGC00013073-02; NCGC00096197-01; NCI60_041537; FT-0663257; 2,2'-Methylenebis(4-methyl-1,5-benzenediamine); 1,3-Benzenediamine, 4,4'-methylenebis(6-methyl- (9CI); 4-[(2,4-DIAMINO-5-METHYL-PHENYL)METHYL]-6-METHYL-BENZENE-1,3-DIAMINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7215	.	.	.	.	256.35	C15H20N4	104	268	1.8	19	4	4	2	"InChI=1S/C15H20N4/c1-8-3-10(14(18)6-12(8)16)5-11-4-9(2)13(17)7-15(11)19/h3-4,6-7H,5,16-19H2,1-2H3"	CC1=CC(=C(C=C1N)N)CC2=C(C=C(C(=C2)C)N)N	HGVQBXSOAUVVNX-UHFFFAOYSA-N
DG50523	1-Amino-5-benzoylaminoanthraquinone	67011	"1-Amino-5-benzoylaminoanthraquinone; 117-06-6; 1-Amino-5-benzamidoanthraquinone; 1-Benzamido-5-aminoanthraquinone; 5-Benzamido-1-aminoanthraquinone; Anthraquinone, 1-amino-5-benzamido-; N-(5-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide; N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide; Benzamide, N-(5-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)-; N-(5-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide; NSC13981; EINECS 204-169-3; NSC 13981; SCHEMBL1982461; DTXSID6059445; 1-Amino-5-benzoylaminoanthrachinon; ZINC3880275; 1-amino-5-benzoylamino-anthraquinone; NSC-13981; STK367475; AKOS001482345; MCULE-5895499517; Benzamide, N-(5-amino-1-anthraquinonyl)-; FT-0607333; AB00079346-01; 117A066; Benzamide, N-(5-amino-1-anthraquinonyl)- (8CI); W-108573; N-(5-Amino-9,10-dihydro-9,10-dioxoanthracen-1-yl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13981	.	.	.	.	342.3	C21H14N2O3	89.3	584	4.1	26	2	4	2	"InChI=1S/C21H14N2O3/c22-15-10-4-8-13-17(15)19(24)14-9-5-11-16(18(14)20(13)25)23-21(26)12-6-2-1-3-7-12/h1-11H,22H2,(H,23,26)"	C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)N	FWEQPMZEKHHFTB-UHFFFAOYSA-N
DG50524	"N,N-Diethyl-4-nitrosoaniline"	67115	"N,N-Diethyl-4-nitrosoaniline; 120-22-9; 4-Nitroso-N,N-diethylaniline; p-Nitrosodiethylaniline; N,N-Diethyl-p-nitrosoaniline; Benzenamine, N,N-diethyl-4-nitroso-; 4-Diethylaminonitrosobenzene; N,N-Diethyl-4-nitrosobenzenamine; NSC 5418; p-Nitroso-N,N-diethylaniline; Aniline, N,N-diethyl-p-nitroso-; Diethylnitrosoaniline; CCRIS 3087; EINECS 204-379-5; BRN 2804428; AI3-15392; p-Nitrosodiathylanilin; Diethyl-p-nitrosoaniline; 4-12-00-01559 (Beilstein Handbook Reference); Aniline,N-diethyl-p-nitroso-; SCHEMBL146443; Para-nitroso-N,N-diethylaniline; DTXSID3059507; NSC5418; Benzenamine,N-diethyl-4-nitroso-; NSC-5418; ZINC3861050; 3501AA; MFCD00002064; AKOS002318224; MCULE-9001226978; BS-43856; FT-0619299; N0260; D91662; W-109442; F3099-5847"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5418	.	.	.	.	178.23	C10H14N2O	32.7	149	2.1	13	0	3	3	"InChI=1S/C10H14N2O/c1-3-12(4-2)10-7-5-9(11-13)6-8-10/h5-8H,3-4H2,1-2H3"	CCN(CC)C1=CC=C(C=C1)N=O	OLNMJIHADFYHAK-UHFFFAOYSA-N
DG50525	"1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-"	67192	"128-81-4; 4,11-Diamino-1H-naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone; 4,11-diaminonaphtho[2,3-f]isoindole-1,3,5,10-tetrone; UNII-YG2LVB01V3; 1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-; YG2LVB01V3; 1,4-Diaminoanthraquinone-2,3-dicarboximide; 1H-Naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-; 1,3-dicarboximide; 4,11-Diamino-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone; 4,11-diamino-1h-naphtho[2,3-f]isoindole-1,3,5,10(2h)-tetrone; EINECS 204-910-0; NSC115447; NSC 115447; 1,4-Diamino-2,3-anthraquinonedicarboximide; Oprea1_367660; Oprea1_641320; 1,3-anthraquinonedicarboximide; SCHEMBL1993098; CHEMBL1982238; DTXSID0059580; ZINC208158; 1,4-Diamino-9,10-dihydro-9,10-dioxo-2,3-anthracenedicarboximide; STL329057; AKOS022135468; MCULE-5048167040; NSC-115447; NCI60_000342; 2, 1,4-diamino-9,10-dihydro-9,10-dioxo-; 4,7-Diamino-5,6-phthaloylisoindoline-1,3-dione; W-109468; 1,10-dihydro-9,10-dioxo-2,3-anthracenedicarboximide; 1H-Naphth[2,3,5,10(2H)-tetrone, 4,11-diamino-; 4,11-Diamino-1h-naphtho[2,3-f] isoindole-1,3,5,10(2h)-tetraone; 4,11-diamino-1H-naphtho[2,3-f]isoindole-1,3,5,10(2H)-tetraone; 2,3-Anthracenedicarboximide, 1,4-diamino-9,10-dihydro-9,10-dioxo- (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115447	.	.	.	.	307.26	C16H9N3O4	132	566	1.4	23	3	6	0	"InChI=1S/C16H9N3O4/c17-11-7-8(12(18)10-9(11)15(22)19-16(10)23)14(21)6-4-2-1-3-5(6)13(7)20/h1-4H,17-18H2,(H,19,22,23)"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C4C(=C3N)C(=O)NC4=O)N	UOBRDAVIVQKFCM-UHFFFAOYSA-N
DG50526	Indophenol blue	67235	"Indophenol blue; 132-31-0; Naphthol blue; C.I. 49700; 1(4H)-Naphthalenone, 4-[[4-(dimethylamino)phenyl]imino]-; N-(p-Dimethylaminophenyl)-1,4-naphthoquinoneimine; Indophenol blue cyan; 4-((4-(Dimethylamino)phenyl)imino)naphthalen-1(4H)-one; UNII-IFU74WR4XQ; p-(Dimethylamino)phenyl-1,4-naphthoquinoneimine; IFU74WR4XQ; 4-[4-(dimethylamino)phenyl]iminonaphthalen-1-one; NSC 132125; N-(4-Dimethylaminophenyl)-1,4-naphthoquinomeimine; MFCD00041739; NSC132125; NSC-132125; 1,4-Naphthoquinone imine, N-(p-(dimethylamino)phenyl)-; N-(4-Dimethylaminophenyl)-1,4-naphthoquinoneimine; 1(4H)-Naphthalenone, 4-((p-(dimethylamino)phenyl)imino)-; 1(4H)-Naphthalenone, 4-((4-(dimethylamino)phenyl)imino)-; 136023-77-3; 1(4H)-Naphthalenone, 4-[[p-(dimethylamino)phenyl]imino]-; alpha-Naphthol Blue; EINECS 205-056-1; CI 49700; SCHEMBL574049; SCHEMBL1898632; DTXSID4059623; 1(4H)-Naphthalenone,4-[[4-(dimethylamino)phenyl]imino]-; 1, N-[p-(dimethylamino)phenyl]-; 6446AF; Indophenol Blue, Dye content 60 %; ZINC18099807; AKOS015894777; ZINC100060813; ZINC256124601; 1,2,3,5,6-Pentathiepane 99.0%; DB-042104; FT-0631767; I0208; D91102; A806414; J-006159; (4E)-4-(4-dimethylaminophenyl)iminonaphthalen-1-one; 4-[[4-(dimethylamino)-phenyl]imino]-naphthalen-1-one; Q34298933; 4-((4-(Dimethylamino)phenyl)imino)-1(4H)-naphthalenone; (E)-4-(4-(dimethylamino)phenylimino)naphthalen-1(4H)-one; 4-([4-(Dimethylamino)phenyl]imino)-1(4H)-naphthalenone #; (4E)-4-{[4-(Dimethylamino)phenyl]imino}naphthalen-1(4H)-one; 1(4H)-Naphthalenone, 4-((4-(dimethylamino)phenyl)imino)-, (E)-; 1(4H)-Naphthalenone, 4-((p-(dimethylamino)phenyl)imino)- (8CI); (17-acetoxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132125	.	.	.	.	276.3	C18H16N2O	32.7	444	4	21	0	3	2	"InChI=1S/C18H16N2O/c1-20(2)14-9-7-13(8-10-14)19-17-11-12-18(21)16-6-4-3-5-15(16)17/h3-12H,1-2H3"	CN(C)C1=CC=C(C=C1)N=C2C=CC(=O)C3=CC=CC=C23	VRZJGENLTNRAIG-UHFFFAOYSA-N
DG50527	3-Hydroxy-N-1-naphthyl-2-naphthamide	67241	"132-68-3; Naphthol AS-BO; 3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide; Acco Naphthol AS-BO; Cibanaphthol RN; Naphtanilide BO; Azonaphtol AN; Dragonthol BO; Naphthoide BO; Naphtoelan BO; Solunaptol ANL; Brenthol AN; Acna Naphthol F; Naphthol Acna F; Naphtol AS-boll; Sanatol BO; Naftolo MBO; Naphtazol 3B; Celcot RN; Azotol ANF; Amarthol AS-BO; Tulathol AS-BO; Ultrazol VII-BO; Naphtol AS-BO; 3-Hydroxy-N-1-naphthyl-2-naphthamide; Hiltonaphthol AS-BO; Mitsui naphthozol BO; Naphtanilide BO Supra; Amanil naphthol AS-BO; Anthonaphthol M 3B; C.I. Azoic Coupling Component 4; 1-(2',3'-Hydroxynaphthoylamino)naphthalene; C.I. 37560; 2-Naphthalenecarboxamide, 3-hydroxy-N-1-naphthalenyl-; Anthonaphthol M3B; NSC 37202; 3-Hydroxy-N-(1-naphthyl)-2-naphthamide; 2-Naphthamide, 3-hydroxy-N-1-naphthyl-; 3-Hydroxy-N-(naphthalen-1-yl)-2-naphthamide; 3-Hydroxy-2-naphthoic-.alpha.-naphthalide; Azonaphthol AN; 3-hydroxy-N-(naphthalen-1-yl)naphthalene-2-carboxamide; 3-Hydroxy-2-naphthoic-alpha-naphthalide; EINECS 205-075-5; BRN 1824371; naphthol as bo; 3-Hydroxy-N-1-naphthalenyl-2-naphthalenecarboxamide; 2-Hydroxy-3-naphthoic Acid 1-Naphthylamide; Azoic Coupling Component 4; Oprea1_463132; Oprea1_541435; 4-12-00-03097 (Beilstein Handbook Reference); SCHEMBL2743115; DTXSID8051671; 2-Naphthamide, 3-hydroxy-N-1-naphthyl- (6CI,7CI,8CI); ZINC391026; NSC37202; MFCD00043900; NSC-37202; STK367408; 3-hydroxy-n-1-naphtyl-2-naphthamide; AKOS005443921; MCULE-3390960284; AS-65781; R272; C.I.37560; 1-HYDROXY-3-NAPHTHOYL-1-NAPHTHAMINE; 3-Hydroxy-N-(1-naphthyl)-2-naphthamide #; CS-0324554; H0318; A806473; W-108312"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37202	.	.	.	.	313.3	C21H15NO2	49.3	451	5.5	24	2	2	2	"InChI=1S/C21H15NO2/c23-20-13-16-8-2-1-7-15(16)12-18(20)21(24)22-19-11-5-9-14-6-3-4-10-17(14)19/h1-13,23H,(H,22,24)"	C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC4=CC=CC=C4C=C3O	QGZGJNPVHADCFM-UHFFFAOYSA-N
DG50528	5'-Chloro-3-hydroxy-2'-methyl-2-naphthanilide	67275	"135-63-7; 5'-Chloro-3-hydroxy-2'-methyl-2-naphthanilide; Naphthol AS-KB; n-(5-chloro-2-methylphenyl)-3-hydroxy-2-naphthamide; Naphtanilide KB; Naphtol AS-KB; Acco Naphthol AS-KB; Naphthanilid KB; Naphtazol C; N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide; 2-Naphthalenecarboxamide, N-(5-chloro-2-methylphenyl)-3-hydroxy-; Hiltonaphthol AS-KB; Acco Naf-Sol AS-KB; Amanil Naphthol AS-KB; C.I. Azoic Coupling Component 21; Azoic Coupling Component 21; MLS000738149; C.I. 37526; SMR000393909; N-(5-chloro-2-methylphenyl)-3-hydroxy-2-naphthalenecarboxamide; EINECS 205-207-1; NSC 37187; EC 205-207-1; cid_67275; 2-hydroxy-3-naphthoyl-(2'-methyl-5'-choro)aniline; SCHEMBL5319772; CHEMBL1544847; DTXSID1059654; BDBM61845; ZINC393856; NSC37187; MFCD00021636; NSC-37187; AKOS016008967; MCULE-1900023845; NCGC00246935-01; AS-68768; T235; C.I.37526; DB-042301; CS-0207041; FT-0631788; 2-Naphtho-o-toluidide, 5'-chloro-3-hydroxy-; D89491; N-(5-Chloro-o-tolyl)-3-hydroxy-2-naphthamide; 5'-Chloro-N-(3-hydroxy-2-naphthoyl)-o-toluidine; A806961; W-109483; 2-Naphtho-o-toluidide, 5'-chloro-3-hydroxy- (8CI); N-(5-chloro-2-methyl-phenyl)-3-hydroxy-2-naphthamide; N-(5-chloranyl-2-methyl-phenyl)-3-oxidanyl-naphthalene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37187	.	.	.	.	311.8	C18H14ClNO2	49.3	403	5.2	22	2	2	2	"InChI=1S/C18H14ClNO2/c1-11-6-7-14(19)10-16(11)20-18(22)15-8-12-4-2-3-5-13(12)9-17(15)21/h2-10,21H,1H3,(H,20,22)"	CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2O	XZOACPDZZYNJER-UHFFFAOYSA-N
DG50529	3-Hydroxy-3'-nitro-2-naphthanilide	67277	"135-65-9; 3-Hydroxy-3'-nitro-2-naphthanilide; 3-Hydroxy-N-(3-nitrophenyl)-2-naphthamide; Azoic Coupling Component 17; Naphthol AS-BS; Cibanaphthol RM; Irganaphthol RM; Naphtanilide BS; Naphthol AS-BS Supra; Dragonthol BS; Naphtazol B; Naphthanil BS; Naphthoide BS; Naphtoelan BS; Azoground BS; Azonaphtol MNA; Solunaptol MNL; Brenthol MN; Acna Naphthol M; Kambothol ASBS; Diathol BS; Celcot RM; Naftolo MBS; Azotol MNA; Azotol NMA; Amarthol AS-BS; Tulathol AS-BS; Ultrazol IV-BS; Naphtol AS-BS; Daito Grounder BS; 3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide; 3-Hydroxy-N-(3-nitrophenyl)-2-naphthalenecarboxamide; Anthonaphthol AS-BS; Hiltonaphthol AS-BS; Mitsui Naphthozol BS; Naptanilide BS Supra; Acco Naphthol AS-BS; Naphtol AS-BS Supra; Amanil Naphthol AS-BS; C.I. Azoic Coupling Component 17; Naphthol AS-BS Dispersible; 2-Naphthalenecarboxamide, 3-hydroxy-N-(3-nitrophenyl)-; UNII-8K775B2J7E; CHEMBL65374; MLS000738144; C.I. 37515; 8K775B2J7E; C17H12N2O4; NSC37168; 2-naphthanilide; EINECS 205-209-2; NSC 37168; NAPHTHOLAS-BS; DSSTox_CID_24544; DSSTox_RID_80305; DSSTox_GSID_44544; Oprea1_145295; cid_67277; SCHEMBL2743106; DTXSID3044544; HMS2750J18; ZINC247785; Tox21_301464; BDBM50091995; MFCD00021637; NSC-37168; PNU-26370; 2-Hydroxy-3-Naphthoyl-m-Nitroaniline; 3-hydroxy-2-naphthoic m-nitroanilide; 3-Hydroxy-3\\'-nitro-2-naphthanilide; AKOS015914160; MCULE-2961526303; 2-Naphthanilide, 3-hydroxy-3'-nitro-; NCGC00246934-01; NCGC00255765-01; CAS-135-65-9; P683; SMR000393904; 2-Hydroxy-3-naphthoic Acid m-Nitroanilide; 3-HYDROXY-3'-NITRO-2-NAPTHANILIDE; C.I.37515; CS-0206908; H0314; MLS000738144-02; 2-Naphthanilide, 3-hydroxy-3'-nitro- (8CI); D90835; MLS-0292193.0001; 135H659; A806967; SR-01000200944; SR-01000200944-1; W-108261; (3-Hydroxy(2-naphthyl))-N-(3-nitrophenyl)carboxamide; Q27270667; 3-Hydroxy-naphthalene-2-carboxylic acid (3-nitro-phenyl)-amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37168	.	.	.	.	308.29	C17H12N2O4	95.2	450	4	23	2	4	2	"InChI=1S/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21)"	C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])O	YZJSKRBKHCLMQC-UHFFFAOYSA-N
DG50530	Laurolinium acetate	67354	"Laurolinium acetate; Laurodin; 146-37-2; 4-Amino-1-dodecylquinaldinium acetate; UNII-R01EZP92PU; N-Dodecyl-4-aminoquinaldinium acetate; R01EZP92PU; 1-dodecyl-2-methylquinolin-1-ium-4-amine;acetate; NSC-66214; Laurolinii acetas; Acetate de laurolinium [INN-French]; Acetato de laurolinio; Laurolinii acetas [INN-Latin]; Laurolinium acetate [INN:BAN]; Acetate de laurolinium; EINECS 205-668-9; Acetato de laurolinio [INN-Spanish]; NSC 66214; 1-Dodecyl-4-aminoquinaldinium acetate; lauroliniumacetat; Quinaldinium, N-dodecyl-4-amino-, acetate; 4-Amino-1-dodecyl-2-methylquinolinium acetate; Quinaldinium, acetate; Quinaldinium, 4-amino-1-dodecyl-, acetate; SCHEMBL1649412; CHEMBL2106374; DTXSID10163251; NSC66214; WLN: T66 BKJ B12 C1 EZ & Q & OV1; Q27287583; Quinolinium, 4-amino-1-dodecyl-2-methyl-, acetate (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66214	.	.	.	.	386.6	C24H38N2O2	70	343	.	28	1	3	11	"InChI=1S/C22H34N2.C2H4O2/c1-3-4-5-6-7-8-9-10-11-14-17-24-19(2)18-21(23)20-15-12-13-16-22(20)24;1-2(3)4/h12-13,15-16,18,23H,3-11,14,17H2,1-2H3;1H3,(H,3,4)"	CCCCCCCCCCCC[N+]1=C(C=C(C2=CC=CC=C21)N)C.CC(=O)[O-]	WFENCVFYUBXRSH-UHFFFAOYSA-N
DG50531	5H-Quinindoline	67484	"6H-indolo[2,3-b]quinoline; 5H-Quinindoline; 243-38-9; 11H-10,11-Diaza-benzo[b]fluorene; 6h-indolo(2,3-b)quinoline; quinindoline; EINECS 205-954-3; NSC687969; Neuro_000432; 6H-indolo[2,3-b]chinolin; CHEMBL119830; SCHEMBL2422471; DTXSID00179028; ZINC1847615; MFCD01106359; STK354736; AKOS002302320; MCULE-1868267678; NSC-687969; AC-20952; NCI60_031753; CS-0200127; FT-0688225; A918774"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687969	.	.	.	.	218.25	C15H10N2	28.7	291	3.8	17	1	1	0	"InChI=1S/C15H10N2/c1-3-7-13-10(5-1)9-12-11-6-2-4-8-14(11)17-15(12)16-13/h1-9H,(H,16,17)"	C1=CC=C2C(=C1)C=C3C4=CC=CC=C4NC3=N2	RDFSPMPXDYGXHP-UHFFFAOYSA-N
DG50532	Sulbentine	67686	"Sulbentine; Dibenzthione; 350-12-9; Carbothialdine; Dibenzthion; Afungin; Dibenzothione; Fungiplex; Refungine; Sulbentin; Noticin; Mecal; Carbothialdin D47; Sulbentine [INN]; D 47; UNII-D0NR12WK9J; 3,5-dibenzyl-1,3,5-thiadiazinane-2-thione; D0NR12WK9J; MLS003106337; CHEMBL151803; CHEBI:31477; 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-bis(phenylmethyl)-; Sulbentine (INN); NSC-150555; NCGC00160606-01; Sulbentinum; Sulbentina; Sulbentinum [INN-Latin]; Sulbentina [INN-Spanish]; SMR000040461; EINECS 206-497-2; NSC 150555; BRN 0544719; Dibenzthion (JAN); Cyto8C8; DIBENZATHIONE; 3,5-Dibenzyltetrahydro-2H-1,3,5-thiadiazine-2-thione; Tetrahydro-3,5-dibenzyl-2H-1,3,5-thiadiazine-2-thione; 3,5-Dibenzyl-2-thion-tetrahydro-1,3,5-thiadiazin [German]; Maybridge4_003705; DSSTox_CID_26257; DSSTox_RID_81484; DSSTox_GSID_46257; 3,5-Dibenzylperhydro-1,3,5-thiadiazine-2-thione; MLS001249428; MLS001249466; MLS006011652; SCHEMBL155101; 3,5-Dibenzyl-2-thion-tetrahydro-1,3,5-thiadiazin; DTXSID7046257; 2H-1,3,5-Thiadiazine-2-thione, 3,5-dibenzyltetrahydro-; 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dibenzyl-; HMS1531I09; HMS2875M06; HY-B1133; Tox21_111932; BDBM50084132; NSC150555; ZINC19909326; AKOS002098909; CCG-199943; CS-4738; DB13671; MCULE-7852563562; CAS-350-12-9; 3,5-Dibenzyl-[1,3,5]thiadiazinane-2-thione; D01335; Q2364327; BRD-K72384124-001-01-5; BRD-K72384124-001-07-2; 2H-1,5-Thiadiazine-2-thione, 3,5-dibenzyltetrahydro-; 2H-1,5-Thiadiazine-2-thione, tetrahydro-3,5-bis(phenylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150555	.	.	.	.	314.5	C17H18N2S2	63.9	336	4.3	21	0	3	4	"InChI=1S/C17H18N2S2/c20-17-19(12-16-9-5-2-6-10-16)13-18(14-21-17)11-15-7-3-1-4-8-15/h1-10H,11-14H2"	C1N(CSC(=S)N1CC2=CC=CC=C2)CC3=CC=CC=C3	QFVAWNPSRQWSDU-UHFFFAOYSA-N
DG50533	Melicopidine	68060	"Melicopidine; 475-91-2; NSC34757; 1,3-Dioxolo[4,5-b]acridin-10(5H)-one, 4,11-dimethoxy-5-methyl-; UNII-38R6F4CJ0M; MLS002702837; 38R6F4CJ0M; 4,11-dimethoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one; 4,11-Dimethoxy-5-methyl-1,3-dioxolo(4,5-b)acridin-10(5H)-one; 4,11-Dimethoxy-5-methyl-1,3-dioxolo[4,5-b]acridin-10(5H)-one; 1,3-Dioxolo(4,5-b)acridin-10(5H)-one, 4,11-dimethoxy-5-methyl-; EINECS 207-502-0; NSC 34757; BRN 0335565; Melicopidene; NCIMech_000790; 4-27-00-06649 (Beilstein Handbook Reference); CHEMBL1864207; DTXSID3075410; CHEBI:167835; ZINC4522584; CCG-36017; CCG-36117; NSC-34757; NCI60_003089; SMR001566662; FT-0744683; [4-(Dimethylamino)phenyl]diazenesulfonicacidsodiumsalt; 1,5-b]acridin-10(5H)-one, 4,11-dimethoxy-5-methyl-; 4,11-dimethoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34757	.	.	.	.	313.3	C17H15NO5	57.2	472	2.9	23	0	6	2	"InChI=1S/C17H15NO5/c1-18-10-7-5-4-6-9(10)13(19)11-12(18)15(21-3)17-16(14(11)20-2)22-8-23-17/h4-7H,8H2,1-3H3"	CN1C2=CC=CC=C2C(=O)C3=C1C(=C4C(=C3OC)OCO4)OC	TZZNUDMEMFBPQI-UHFFFAOYSA-N
DG50534	Isopimpinellin	68079	"Isopimpinellin; 482-27-9; 5,8-Dimethoxypsoralen; 5,8-Dimethoxypsoralene; 4,9-dimethoxyfuro[3,2-g]chromen-7-one; 4,9-dimethoxypsoralen; 4,9-Dimethoxy-7H-furo[3,2-g]chromen-7-one; 4,9-Dimethoxy-furo[3,2-g]chromen-7-one; 7H-Furo[3,2-g][1]benzopyran-7-one, 4,9-dimethoxy-; UNII-20GCF755G6; 5,8-Dimethoxy-6,7-furanocoumarin; NSC401288; 4,9-Dimethoxy-7H-furo(3,2-G) (1)benzopyran-7-one; CHEBI:28853; 20GCF755G6; 7H-Furo[3, 4,9-dimethoxy-; MFCD00017407; CCRIS 4347; NSC 217988; NSC 401288; Dimethylpsoralen; Spectrum_000624; SpecPlus_000154; 5, 8-Dimethoxypsoralene; Spectrum2_000308; Spectrum3_001232; Spectrum4_001442; Spectrum5_000023; Oprea1_132007; Oprea1_593894; BSPBio_002704; KBioGR_001923; KBioSS_001104; SPECTRUM300012; MLS000876836; DivK1c_006250; SCHEMBL498907; 4,9-Dimethoxy-7H-furo[3,2-g][1]benzopyran-7-one; SPBio_000276; CHEMBL140796; MEGxp0_000706; ACon1_002361; DFMAXQKDIGCMTL-UHFFFAOYSA-; HSDB 8477; KBio1_001194; KBio2_001104; KBio2_003672; KBio2_006240; KBio3_002204; DTXSID30197457; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4,9-dimethoxy- (8CI); HMS2270M12; Isopimpinellin, analytical standard; ZINC314951; HY-N0769; BDBM50361386; CCG-38585; NSC217988; s9291; STK368476; AKOS000278000; Isopimpinellin (4,9-Dimethoxypsoralen); MCULE-5163280216; NSC-217988; NSC-401288; SDCCGMLS-0066520.P001; NCGC00095569-01; NCGC00095569-02; NCGC00095569-03; AC-34959; BS-16832; NCI60_003765; SMR000440593; 4,9-Dimethoxy-7-oxofuro[3,2-g]chromene; 4,9-Dimethoxyfuro[3,2-g]benzopyran-7-one; DB-051533; CS-0009794; FT-0603412; I0861; W1277; 5,9-dimethoxy-2H-furo[3,2-g]chromen-2-one; C02162; 4,9-Dimethoxy-7H-furo[3,2-g]chromen-7-one #; Isopimpinellin - Angelica archangelica (angelica); SR-01000778471; Q-100529; Q6086206; SR-01000778471-2; BRD-K72253829-001-02-8; BRD-K72253829-001-03-6; BRD-K72253829-001-07-7; 4,9-Dimethoxy-7H-furo[3,2-g][1]benzopyran-7-one, 9CI; NCGC00095569-05!4,9-dimethoxyfuro[3,2-g]chromen-7-one; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4,9-dimethoxy- (8CI)(9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401288	.	.	.	.	246.21	C13H10O5	57.9	366	1.9	18	0	5	2	"InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3"	COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC	DFMAXQKDIGCMTL-UHFFFAOYSA-N
DG50535	"4H-Furo(3,2-g)(1)benzopyran-4,7,9-trione"	68083	"483-36-3; 4H-Furo(3,2-g)(1)benzopyran-4,7,9-trione; Bergaptenquinone; furo[3,2-g]chromene-4,7,9-trione; Psoralen quinone; 4H-Furo[3,2-g][1]benzopyran-4,7,9-trione; NSC401268; 5,8-dioxopsoralen; 4H-Furo[3,7,9-trione; CHEMBL1972913; SCHEMBL13781443; DTXSID90197478; ZINC1593954; NSC 401268; NSC-401268; 4H-Furo[3,2-g]chromene-4,7,9-trione; NCI60_003764; 4H-Furo[3,2-g]chromene-4,7,9-trione #; FT-0667637; 2-Propenoic acid, 3-(4,7-dihydro-6-hydroxy-4,7-dioxo-5-benzofuranyl)-, .delta.-lactone; 2-Propenoic acid,7-dihydro-6-hydroxy-4,7-dioxo-5-benzofuranyl)-, .delta.-lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401268	.	.	.	.	216.15	C11H4O5	73.6	471	1.1	16	0	5	0	InChI=1S/C11H4O5/c12-7-2-1-5-8(13)6-3-4-15-10(6)9(14)11(5)16-7/h1-4H	C1=CC(=O)OC2=C1C(=O)C3=C(C2=O)OC=C3	HKQPXEAYQPNPHV-UHFFFAOYSA-N
DG50536	"2,6-Dimethoxy-1,4-benzoquinone"	68262	"2,6-Dimethoxy-1,4-benzoquinone; 530-55-2; 2,6-Dimethoxy-p-benzoquinone; 2,6-Dimethoxyquinone; 2,6-Dimethoxybenzoquinone; 2,6-dimethoxycyclohexa-2,5-diene-1,4-dione; 2,6-Dimethoxy-p-quinone; 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy-; 2,6-Dimethoxysemiquinone anions; NSC 24500; UNII-1Z701W789S; p-Benzoquinone, 2,6-dimethoxy-; 2,6-Dimethoxybenzo-1,4-quinone; 2,6-Dimethoxysemiquinone radicals; NSC24500; ghl.PD_Mitscher_leg0.4; MLS002207260; 2,6-Dimethoxy-2,5-cyclohexadiene-1,4-dione; NSC 56336; NSC-56336; 1Z701W789S; SMR001306787; p-Benzoquinone,6-dimethoxy-; 2,4-dione, 2,6-dimethoxy-; DIMETHOXYBENZOQUINONE,6-; 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy- (9CI); 3,5-Dimethoxy-1,4-benzoquinone; 3,5-Dimethoxybenzoquinone; NSC 24500; DMBQ; EINECS 208-484-7; Spectrum_000723; 2, 6-Dimethoxyquinone; Maybridge1_002628; Spectrum2_000781; Spectrum3_000177; Spectrum4_001608; Spectrum5_000335; Quinone, 2,6-dimethoxy-; 2,6-Dimetoxy-p-benzoquinone; BSPBio_001673; KBioGR_001955; KBioSS_001203; SPECTRUM200413; cid_68262; DivK1c_001380; SCHEMBL570683; SPBio_000882; 2, 6-Dimethoxy-p-benzoquinone; CHEMBL448515; BDBM80763; HMS548P10; KBio2_001203; KBio2_003771; KBio2_006339; KBio3_001173; OLBNOBQOQZRLMP-UHFFFAOYSA-; 2,6-dimethoxy[1,4]benzoquinone; 3,5-Dimethoxy-1,4-benzoquinone; HMS1922P16; ZINC137119; 2, 6-Dimethoxy-1,4-benzoquinone; 2,6-dimethoxy-[1,4]benzoquinone; DIMETHOXYBENZOQUINONE,2,6-; NSC56336; CCG-40159; MFCD00016368; NSC-24500; AKOS015851594; FS-4243; MCULE-5661538939; SDCCGMLS-0066389.P001; CDS1_000340; 2,6-Dimethoxy-1,4-benzoquinone, 97%; NCGC00095215-01; NCGC00095215-02; NCGC00095215-03; NCGC00095215-04; 26547-64-8; NCI60_001958; DB-020224; D2706; FT-0610674; W2131; D90101; A829370; SR-05000002399; Q4596807; SR-05000002399-1; 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy-, radical ion(1-); KIA"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24500	.	.	.	.	168.15	C8H8O4	52.6	259	-0.1	12	0	4	2	"InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3"	COC1=CC(=O)C=C(C1=O)OC	OLBNOBQOQZRLMP-UHFFFAOYSA-N
DG50537	Azure B	68275	"Azure B; 531-55-5; Azure I; Methylene azure B; 3-(Dimethylamino)-7-(methylamino)phenothiazin-5-ium chloride; AZUR I; Trimethylthionine chloride; Methyleneazure; N,N,N'-Trimethylthionin; C.I. 52010; UNII-7C8BEL8WQV; Azure A chloride; Azure B (chloride); Azure b, tech grade; CHEBI:87639; 7C8BEL8WQV; 3-(Dimethylamino)-7-(methylamino)-phenothiazin-5-ium chloride; 3-(Dimethylamino)-7-(methylimino)-3H-phenothiazine hydrochloride; 3-Methylamino-7-dimethylaminophenzathonium chloride; Phenothiazin-5-ium, 3-(dimethylamino)-7-(methylamino)-, chloride; CHEMBL3330736; Azure B (C.I. 52010); n-methyl-n-[7-(methylamino)-3h-phenothiazin-3-ylidene]methanaminium chloride; MFCD00011935; AzureB; Methylene Azure (VAN); N-methyl-N-(7-(methylamino)-3H-phenothiazin-3-ylidene)methanaminium chloride; Phenothiazin-5-ium,3-(dimethylamino)-7-(methylamino)-, chloride (1:1); Modr Kresylova BB [Czech]; Modr Kresylova BB; 1231958-32-9; AZUR B; NSC 9598; EINECS 208-511-2; Methylene Azure; azure-b; CCRIS 9314; Azzurro B; N,N,N' Trimethylthionin; SCHEMBL41927; SCHEMBL1814421; 3H-Phenothiazine, hydrochloride; CHEMBL1817784; DTXSID7040158; Azure B chlorideAzure B chloride; DTXSID40944111; NSC9598; AMY22372; HY-D0004; NSC-9598; 3H-Phenothiazine, 3-(dimethylamino)-7-(methylimino)-, hydrochloride; BDBM50055938; AKOS005287416; AKOS016011170; Azure B, prepared by direct synthesis; M001; CS-0009900; FT-0622539; A-9990; A870807; Q4058459; WLN: T C666 BS EY INJ EUN1 MN1&1 &GH; Azure B, certified by the Biological Stain Commission; WLN: T C666 BN ISJ FN1&1 LM1 &G &12/26; 7-(dimethylamino)-3-(methylamino)phenothiazin-5-ium chloride; Azure B, United States Pharmacopeia (USP) Reference Standard; N,N-Dimethyl-7-(methylamino)-3H-phenothiazin-3-iminium chloride; Phenothiazin-5-ium, 3-(dimethylamino)-7-(methylamino)-, chloride (8CI)(9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9598	.	.	.	.	305.8	C15H16ClN3S	52.7	498	.	20	1	4	1	"InChI=1S/C15H15N3S.ClH/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;/h4-9H,1-3H3;1H"	CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]	DNDJEIWCTMMZBX-UHFFFAOYSA-N
DG50538	Suberosin	68486	"Suberosin; 581-31-7; 7-methoxy-6-(3-methylbut-2-enyl)chromen-2-one; NSC31869; 2H-1-Benzopyran-2-one, 7-methoxy-6-(3-methyl-2-butenyl)-; Coumarin, 7-methoxy-6-(3-methyl-2-butenyl)-; CHEMBL1928409; CHEBI:69041; 2H-1-Benzopyran-2-one, 7-methoxy-6-(3-methyl-2-butenyl)- (9CI); 7-Methoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one; NSC 31869; 7-methoxy-6-prenylcoumarin; MEGxp0_001424; SCHEMBL6273982; ACon1_000574; DTXSID20206820; HY-N1196; ZINC1664037; BDBM50361375; NSC-31869; AKOS028108564; MCULE-9562140872; AC-34687; NCI60_002737; CS-0016488; FT-0777160; W1275; Coumarin, 7-methoxy-6-(3-methyl-2-butenyl)- (8CI); Q27137382; 7-Methoxy-6-(3-methyl-2-butenyl)-2H-chromen-2-one #; 7-Methoxy-6-(3-methyl-2-buten-1-yl)-2H-chromen-2-one; NCGC00168948-02!7-methoxy-6-(3-methylbut-2-enyl)chromen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	31869	.	.	.	.	244.28	C15H16O3	35.5	366	3.8	18	0	3	3	"InChI=1S/C15H16O3/c1-10(2)4-5-11-8-12-6-7-15(16)18-14(12)9-13(11)17-3/h4,6-9H,5H2,1-3H3"	CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)OC)C	RSZDAYHEZSRVHS-UHFFFAOYSA-N
DG50539	Econazole nitrate	68589	"Econazole nitrate; 24169-02-6; Ifenec; Pevaryl; 68797-31-9; Epi-pevaryl; Gyno-pevaryl; Econazole (nitrate); Spectazole; Econazole nitrate salt; (+-)-Econazole nitrate; Gyno-Pevaryl 150; Palavale; NSC 243115; R 14827; MFCD00058160; R 14,827; SQ 13050; Econazole nitrate (Spectazole); MLS000028626; 1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrate; 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid; NSC-243115; 24169-02-6 (NITRATE); SMR000058732; DSSTox_CID_5226; 1-{2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole; nitric acid; DSSTox_RID_77708; DSSTox_GSID_25226; Econazole mononitrate; EcoNail; 1H-Imidazole, 1-(2-((4-chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, nitrate; CCRIS 6031; NSC243115; 1-(2-[(4-Chlorophenyl)methoxy]-2-[2,4-dichlorophenyl]ethyl)-1H-imidazole; SR-01000003142; NCGC00018258-03; EINECS 246-053-5; Micogin; Ecoza; C18H16Cl3N3O4; 1-(2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate; 1H-Imidazole, 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-, nitrate; Spectazole (TN); Prestwick_191; GYNORYL; Ecoza (TN); Econazole nitrate [USAN:USP:BAN:JAN]; Econazole Nitrate,(S); 1-[2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole nitrate; Opera_ID_1393; Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate; CAS-24169-02-6; 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid; SCHEMBL36213; MLS001076561; MLS002222182; MLS002415728; Econazole nitrate (JAN/USP); SPECTRUM1501185; REGID_for_CID_68589; CHEMBL1201049; DTXSID6025226; HMS500F15; HMS1568N10; HMS1921P03; HMS2092L03; HMS2095N10; HMS2235C19; HMS3656C14; HMS3712N10; Pharmakon1600-01501185; BCP12552; HY-B0453; Tox21_110852; Tox21_200771; Tox21_303391; CCG-38966; NSC757882; s2535; AKOS015895218; Tox21_110852_1; AB02338; AC-1113; NSC 757882; NSC-757882; SQ13050; 1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazolium nitrate; 1H-Imidazole, 1-(2-((4-chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate; NCGC00018258-10; NCGC00089813-02; NCGC00094926-01; NCGC00094926-02; NCGC00094926-03; NCGC00094926-04; NCGC00257500-01; NCGC00258325-01; AS-13263; H755; SQ-13050; E0957; FT-0625644; FT-0630510; SW196500-3; VU0239797-5; C08069; D00881; R14827; 1H-Imidazole,4-dichlorophenyl]ethyl)-, nitrate; A817124; A836253; 1H-Imidazole,4-dichlorophenyl)ethyl]-, mononitrate; J-015380; SR-01000003142-2; SR-01000003142-3; Q27279621; 1-[2-(4-Chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole Nitrate; Imidazole,4-dichloro-.beta.-[(p-chlorobenzyl)oxy]phenethyl]-, mononitrate; Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate (8CI); 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole nitrate;Econazole nitrate; 1H-Imidazole, 1-(2-((4-chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757882	.	.	.	.	444.7	C18H16Cl3N3O4	93.1	404	.	28	1	5	6	"InChI=1S/C18H15Cl3N2O.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)"	C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]	DDXORDQKGIZAME-UHFFFAOYSA-N
DG50540	Oxiperomide	68634	"Oxiperomide; 5322-53-2; Peromide; R 4714; UNII-WRO75M6RW2; 1-[1-(2-phenoxyethyl)piperidin-4-yl]-1,3-dihydro-2h-benzimidazol-2-one; 3-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-benzimidazol-2-one; WRO75M6RW2; MLS003115925; NSC313681; NSC-313681; R-4714; 1-(1-(2-Phenoxyethyl)-4-piperidyl)-2-benzimidazolinone; Oxiperomida; Oxiperomidum; Oxiperomide [USAN:INN]; Oxiperomidum [INN-Latin]; 1-[1-(2-Phenoxyethyl)-4-piperidyl]-2-benzimidazolinone; Oxiperomida [INN-Spanish]; NSC 313681; Oxiperomide (USAN/INN); MLS006011550; SCHEMBL123291; ZINC1873; CHEMBL2059304; DTXSID30201306; 2-Benzimidazolinone, 1-[1-(2-phenoxyethyl)-4-piperidyl]-; BDBM50388674; PDSP1_000049; PDSP2_000049; AKOS008293760; MCULE-3614562036; SMR001831487; SMR004703316; CS-0077190; D02676; L000881; Q21547163; Z130192198; {1-[1-(2-Phenoxyethyl)-4-piperidyl]-2-benzimidazolinone}; 3-[1-(2-phenoxyethyl)-4-piperidyl]-1H-benzimidazol-2-one; 2-Benzimidazolinone, {1-[1-(2-phenoxyethyl)-4-piperidyl]-}; 2-Benzimidazolinone, 1-(1-(2-phenoxyethyl)-4-piperidyl)- (8CI); 1-(1-(2-Phenoxyethyl)-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one; 1-(1-(2-phenoxyethyl)piperidin-4-yl)-1h-benzo[d]imidazol-2(3h)-one; 2H-Benzimidazol-2-one, 1,3-dihydro-1-(1-(2-phenoxyethyl)-4-piperidinyl)-; 2H-Benzimidazol-2-one,3-dihydro-1-[1-(2-phenoxyethyl)-4-piperidinyl]-; 1-(1-(2-phenoxyethyl)piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one; 1-[1-(2-phenoxyethyl)piperidin-4-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one; 2H-Benzimidazol-2-one, 1, {3-dihydro-1-[1-(2-phenoxyethyl)-4-piperidinyl]-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	313681	.	.	.	.	337.4	C20H23N3O2	44.8	444	3.6	25	1	3	5	"InChI=1S/C20H23N3O2/c24-20-21-18-8-4-5-9-19(18)23(20)16-10-12-22(13-11-16)14-15-25-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,21,24)"	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCOC4=CC=CC=C4	NVDBBGBUTKLRSN-UHFFFAOYSA-N
DG50541	Clanfenur	68684	"Clanfenur; 51213-99-1; UNII-KAM54NKT1Q; Clanfenur [INN]; KAM54NKT1Q; MLS002701735; Clanfenur (INN); NSC603108; NSC 603108; n-[(4-chlorophenyl)carbamoyl]-2-(dimethylamino)-6-fluorobenzamide; Clanfenurum; N-((4-chlorophenyl)carbamoyl)-2-(dimethylamino)-6-fluorobenzamide; Clanfenurum [Latin]; NCIMech_000538; SCHEMBL93573; ZINC1167; CHEMBL1876799; DTXSID40965487; BCP20752; CCG-35671; AKOS032947354; NSC-603108; NCI60_004586; SMR001565331; N16879; Q27282152; 1-(p-Chlorophenyl)-3-(6-fluoro-N,N-dimethylanthraniloyl)urea; 1-(4-CHLOROPHENYL)-3-[2-(DIMETHYLAMINO)-6-FLUOROBENZOYL]UREA; N-[(4-Chlorophenyl)carbamoyl]-2-(dimethylamino)-6-fluorobenzene-1-carboximidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603108	.	.	.	.	335.76	C16H15ClFN3O2	61.4	428	3.9	23	2	4	3	"InChI=1S/C16H15ClFN3O2/c1-21(2)13-5-3-4-12(18)14(13)15(22)20-16(23)19-11-8-6-10(17)7-9-11/h3-9H,1-2H3,(H2,19,20,22,23)"	CN(C)C1=C(C(=CC=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)Cl	SRLPZQAEBMZCIJ-UHFFFAOYSA-N
DG50542	Zoledronic acid	68740	"Zoledronic acid; Zoledronate; 118072-93-8; Zometa; Reclast; Aclasta; (1-Hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl)diphosphonic acid; CGP 42446; (1-Hydroxy-2-imidazol-1-ylethylidene)diphosphonic acid; Zoledronic Acid Anhydrous; (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid; Phosphonic acid, [1-hydroxy-2-(1H-imidazol-1-yl)ethylidene]bis-; ZOL; CGP-42446; [1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl]bis(phosphonic acid); Orazol; UNII-70HZ18PH24; C5H10N2O7P2; ZOL 446; Anhydrous Zoledronic Acid; Reclast (TN); Zometa (TN); CHEMBL924; CHEBI:46557; [1-hydroxy-2-(1H-imidazol-1-yl)-1-phosphonoethyl]phosphonic acid; 70HZ18PH24; CGP-42446A; NSC-721517; NCGC00159521-02; (1-hydroxy-2-(1H-imidazol-1-yl)ethylidene)bisphosphonic acid; Zoledronic acid [USAN:INN:BAN]; Phosphonic acid, (1-hydroxy-2-(1H-imidazol-1-yl)ethylidene)bis-; Zomera; 1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyldiphosphonic acid; Bisphosphonate 3; Zometa (Novartis); Aclasta and Reclast; Zoledronic Acid Teva; AK-156; Zoledronic Acid Medac; Zoledronic acid (INN); [1-Hydroxy-2-(1H-imidazol-1-yl)ethylidene]bisphosphonic acid; zoledronic-acid; BPH 91; Zoledronate hydrate; Zoladrona acid mylan; ZOLEDRONIC; Zoledronic acid accord; [1-HYDROXY-2-(1H-IMIDAZOL-1-YL)-ETHYLIDENE]BISPHOSPHONIC ACID; Zoledronic Acid, Anhydrous; DSSTox_CID_22668; DSSTox_RID_80065; Zoledronic acid, Zoledronate; BIDD:PXR0134; DSSTox_GSID_42668; SCHEMBL19054; BIDD:GT0292; Zoledronic Acid (Zoledronate); GTPL3177; JMC515594 Compound 55; DTXSID0042668; BDBM12578; CGP42446A; HMS2089O09; BCP22750; CGP-4244; ZINC3803652; Tox21_111739; MFCD00867791; NSC721517; s1314; STL452893; AKOS005145739; AB07564; AC-1092; CS-1829; DB00399; HS-0091; MCULE-1604726355; NSC 721517; NCGC00159521-03; NCGC00159521-04; NCGC00159521-05; NCGC00159521-09; NCGC00159521-18; HY-13777; CAS-118072-93-8; FT-0601384; Y1607; D08689; H11422; S00092; AB01273947-01; AB01273947-02; AB01273947-03; AB01273947_04; 072Z938; A803876; Q218507; SR-05000001436; Q-201946; SR-05000001436-1; 1-Hydroxy-2-(1-imidazolyl)ethane-1,1-diphosphonic Acid; Z1691545083"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721517	.	.	.	.	272.09	C5H10N2O7P2	153	327	-4.3	16	5	8	4	"InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)"	C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O	XRASPMIURGNCCH-UHFFFAOYSA-N
DG50543	Imexon	68791	"Imexon; 59643-91-3; BM-06002; 4-Amino-1,3-diazabicyclo[3.1.0]hex-3-en-2-one; MLS002702958; 4-Imino-1,3-diazabicyclo-[3.1.0]hexan-2-one; NSC313425; NSC-313425; NCGC00181304-01; Imexon (USAN/INN); DSSTox_CID_26895; DSSTox_RID_81997; DSSTox_GSID_46895; SCHEMBL154584; CHEMBL146428; GTPL8273; Amplimexon (proposed trade name); HMS3264B05; Tox21_112779; NSC714597; AKOS006273819; AOP-990001; CCG-213631; DB05003; NSC-714597; NCGC00389454-01; NCI60_002705; SMR001566772; BM 06 002; CAS-59643-91-3; 4-CHLORO-(ALPHA-PHENYL)-CINNAMICACID; D08932; AB01013867_03; 4-Imino-1,3-diazabicyclo-[3.1.0]-hexan-2-one; 643I913"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714597	.	.	.	.	111.1	C4H5N3O	58.5	186	-1.4	8	1	1	0	"InChI=1S/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8)"	C1C2N1C(=O)N=C2N	BIXBBIPTYBJTRY-UHFFFAOYSA-N
DG50544	4-Demethoxyadriamycin HCl	68837	"4-Demethoxyadriamycin HCl; 64363-63-9; NSC256438; NSC-256438; Medorubicin hydrochloride; 4 DMA HCl; CHEMBL1997266; DTXSID90867068; 3,5,12-trihydroxy-3-(hydroxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside; 5, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-, hydrochloride; 5, 7-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(hydroxyacetyl)-, hydrochloride, (7S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	256438	.	.	.	.	513.5	C26H27NO10	197	929	1.3	37	6	11	4	"InChI=1S/C26H27NO10/c1-10-21(30)14(27)6-17(36-10)37-15-8-26(35,16(29)9-28)7-13-18(15)25(34)20-19(24(13)33)22(31)11-4-2-3-5-12(11)23(20)32/h2-5,10,14-15,17,21,28,30,33-35H,6-9,27H2,1H3"	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CO)O)N)O	XVXGYZFARCOVHS-UHFFFAOYSA-N
DG50546	"1-Naphthalenol, 4-nitroso-"	69064	"4-nitrosonaphthalen-1-ol; 4-Nitroso-1-naphthol; 1-Naphthalenol, 4-nitroso-; 605-60-7; 1-Naphthol, 4-nitroso-; 4965-30-4; BRN 1946063; Naphthochinonoxim; 4-nitrosonaphthol; NSC5417; 4-Nitroso-(1)naphthol; 4-07-00-02424 (Beilstein Handbook Reference); SCHEMBL1032621; SCHEMBL2913621; DTXSID40209237; DTXSID70876193; NSC 5417; NSC-5417; NSC239653; ZINC17047101; NSC-239653; N-OH-1,4-NAPHTHOQUINONEMONIMINE; (4e)-4-(hydroxyimino)naphthalen-1(4h)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5417	.	.	.	.	173.17	C10H7NO2	49.7	195	2.7	13	1	3	0	"InChI=1S/C10H7NO2/c12-10-6-5-9(11-13)7-3-1-2-4-8(7)10/h1-6,12H"	C1=CC=C2C(=C1)C(=CC=C2O)N=O	ZVNOVIBCAIDQOE-UHFFFAOYSA-N
DG50547	"1,3-Benzenediol, 5-methyl-4-[(4-nitrophenyl)azo]-"	69095	"607-96-5; 4-Nitrobenzene-azo-orcinol; 1,3-Benzenediol, 5-methyl-4-[(4-nitrophenyl)azo]-; 4-(4-Nitrophenylazo)orcinol; NSC5066; 2,4-Dihydroxy-6-methyl-4'-nitroazobenzene; 5-methyl-4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol; 4-(4-Nitrophenylazo)-5-methylresorcinol; 1,3-Benzenediol, 5-methyl-4-((4-nitrophenyl)azo)-; 1,3-Benzenediol, 5-methyl-4-(2-(4-nitrophenyl)diazenyl)-; 5-Methyl-4-(4-nitrophenylazo)resorcinol; 1,3-Benzenediol, 5-methyl-4-[2-(4-nitrophenyl)diazenyl]-; NSC 5066; EINECS 210-150-0; SCHEMBL2436862; CHEMBL1999169; DTXSID6060557; NIOSH/VH2180000; Orcinol, 6-(p-nitrophenylazo)-; NSC-5066; MFCD00014710; AKOS024332960; ZINC100742497; ZINC104041767; ZINC254598478; MCULE-5395736443; 1, 5-methyl-4-[(4-nitrophenyl)azo]-; NCI60_004221; 5-Methyl-6-((p-nitrophenyl)azo)resorcinol; 2, 4-Dihydroxy-6-methyl-4'-nitroazobenzene; N0324; VH21800000; Resorcinol, 5-methyl-6-((p-nitrophenyl)azo)-; T72693; 1,3-Benzenediol, 5-methyl-6-((4-nitrophenyl)azo)-; 1,3-Benzenediol, {5-methyl-4-[(4-nitrophenyl)azo]-}; 5-methyl-4-[(E)-(4-nitrophenyl)azo]benzene-1,3-diol; (E)-5-methyl-4-((4-nitrophenyl)diazenyl)benzene-1,3-diol; 5-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1,3-benzenediol; 4-((4-(Hydroxy(oxido)amino)phenyl)diazenyl)-5-methyl-1,3-benzenediol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5066	.	.	.	.	273.24	C13H11N3O4	111	363	3.2	20	2	6	2	"InChI=1S/C13H11N3O4/c1-8-6-11(17)7-12(18)13(8)15-14-9-2-4-10(5-3-9)16(19)20/h2-7,17-18H,1H3"	CC1=CC(=CC(=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])O)O	XDOOUKIUNUWEFT-UHFFFAOYSA-N
DG50548	Resorufin	69462	"Resorufin; 635-78-9; 7-Hydroxy-3H-phenoxazin-3-one; 7-Hydroxyphenoxazin-3-one; Resorufine; 3H-Phenoxazin-3-one, 7-hydroxy-; NSC 12097; NSC12097; MFCD00128991; Resorufin, High purity standard; CHEBI:51602; EINECS 211-241-8; BRN 0174850; Hydroxyphenazone; Resorufin-[d6]; Resorufin, 95%; US9216974,Resorufin; SCHEMBL8066; 4-27-00-02263 (Beilstein Handbook Reference); Resorufin, Dye content 95 %; CHEMBL1185321; DTXSID3060906; BCBcMAP01_000141; 7-Hydroxy-3H -phenoxazin-3-one; BDBM195591; 7-Hydroxy-3H-phenoxazin-3-one #; ZINC4428361; 6073AF; CCG-36357; NSC-12097; AKOS015916378; FS-5650; MCULE-2512838184; SMP1_000256; NCI60_000493; HY-123533; CS-0082928; R0012; T72749; A937219; Q27122674"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12097	.	.	.	.	213.19	C12H7NO3	58.9	422	1.1	16	1	4	0	"InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H"	C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=N2	HSSLDCABUXLXKM-UHFFFAOYSA-N
DG50549	Phenyl p-tolyl sulfone	69497	"Phenyl p-tolyl sulfone; 640-57-3; Benzene, 1-methyl-4-(phenylsulfonyl)-; 1-Methyl-4-(phenylsulfonyl)benzene; Sulfone, phenyl p-tolyl; 4-Methylphenyl phenyl sulfone; 1-(benzenesulfonyl)-4-methylbenzene; 4-Methyldiphenylsulfone; NSC633012; p-Tolyl phenyl sulfone; p-(Phenylsulphonyl)toluene; Phenylp-tolylsulfone; NSC 2724; EINECS 211-364-7; NSC 91059; NSC 633012; BRN 1872872; AI3-08945; 1-Benzenesulfonyl-4-methyl-benzene; 1-(benzenesulfonyl)-4-methyl-benzene; phenyl-4-tolyl sulfone; 4MePh-SO2-Ph; Phenyl p-tolyl sulphone; 4-Methyldiphenyl sulfone; PHENYL 4-TOLYLSULFONE; 4-06-00-02171 (Beilstein Handbook Reference); SCHEMBL891138; CHEMBL453261; DTXSID0060937; Phenyl (4-methylphenyl) sulfone; 1-benzenesulfonyl-4-methylbenzene; NSC2724; ZINC394735; NSC-2724; NSC91059; MFCD00025038; NSC-91059; 1-Methyl-4-(phenylsulfonyl)benzene #; AKOS003678637; MCULE-6045619082; NSC-633012; AS-57843; DB-054599; A8796; CS-0153043; FT-0632722; E75917"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2724	.	.	.	.	232.3	C13H12O2S	42.5	301	3.1	16	0	2	2	"InChI=1S/C13H12O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-10H,1H3"	CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2	YBRXHRWLEFCFEG-UHFFFAOYSA-N
DG50550	"2,1,3-Benzothiadiazol-4-amine"	69845	"767-64-6; 2,1,3-Benzothiadiazol-4-amine; 4-Aminobenzo-2,1,3-thiadiazole; 4-Amino-2,1,3-benzothiadiazole; 4-Aminopiazthiole; Benzo[c][1,2,5]thiadiazol-4-amine; Benzo[1,2,5]thiadiazol-4-ylamine; 2,1,3-Benzothiadiazole, 4-amino-; 7-Amino-2,1,3-benzothiadiazole; 2,1,3-Benzothiadiazole, 7-amino-; NSC73013; UNII-N93ZR5H5L1; N93ZR5H5L1; MFCD00005810; NSC-73013; 2,1,3-Benzothiadiazol-4-ylamine; EINECS 212-186-2; NSC 73013; BRN 0003551; AI3-60012; BTE; 2,1,3-Benzothiadiazol-4(1H)-imine; Maybridge1_004938; NCIStruc1_000017; NCIStruc2_000083; Oprea1_286470; WLN: T56 BNSNJ FZ; 2,1,3-benzothiadiazol-amine; 4-27-00-08093 (Beilstein Handbook Reference); MLS000762975; 2,3-Benzothiadiazol-4-amine; SCHEMBL396206; 4-Amino-2,3-benzothiadiazole; 7-Amino-2,3-benzothiadiazole; CHEMBL1447590; HMS555I10; DTXSID60227498; 2,3-Benzothiadiazole, 4-amino-; 2,3-Benzothiadiazole, 7-amino-; HMS2805B22; ZINC161237; ALBB-000349; AMY18769; CCG-36285; GEO-00070; NCGC00013801; STK091796; 4-Amino-2,1,3-benzothiadiazole-SIV; AKOS000111093; MCULE-3676154129; SDCCGMLS-0066137.P001; WT81959; 4-Amino-2,1,3-benzothiadiazole, 98%; NCGC00013801-02; NCGC00096911-01; 78902-11-1; BP-11190; K992; NCI60_041592; SMR000438262; TS-01998; DB-000211; A1385; BB 0217037; FT-0617556; J3.665.764B; 767A646; A838820; SR-01000597187; SR-01000597187-1; SR-01000597187-2; W-200501; Q27458542; F0266-1247; N-(2,5-dimethoxybenzyl)-3-(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73013	.	.	.	.	151.19	C6H5N3S	80	130	1.1	10	1	4	0	"InChI=1S/C6H5N3S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2"	C1=CC2=NSN=C2C(=C1)N	DRLGIZIAMHIQHL-UHFFFAOYSA-N
DG50551	Decafluorobenzophenone	70068	"Decafluorobenzophenone; 853-39-4; Bis(perfluorophenyl)methanone; Perfluorobenzophenone; Benzophenone, decafluoro-; Methanone, bis(pentafluorophenyl)-; Bis(2,3,4,5,6-pentafluorophenyl)methanone; C13F10O; decafluorbenzophenon; NSC96914; EINECS 212-717-8; Perfluorobenzophenone, 98%; SCHEMBL661258; CHEMBL2001102; DTXSID60234501; ZINC6827671; 0754AF; MFCD00000295; NSC 96914; NSC-96914; AKOS007930379; MCULE-5131818973; AS-41149; NCI60_042160; DB-056863; D1631; FT-0624475; Bis(2,3,4,5,6-pentafluorophenyl)methanone #; Q63395717"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	96914	.	.	.	.	362.12	C13F10O	17.1	406	4.3	24	0	11	2	InChI=1S/C13F10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17	C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C2=C(C(=C(C(=C2F)F)F)F)F	WWQLXRAKBJVNCC-UHFFFAOYSA-N
DG50552	"1,3,5-Triacryloylhexahydro-1,3,5-triazine"	70397	"959-52-4; 1,3,5-Triacryloylhexahydro-1,3,5-triazine; Triacrylformal; Fixierer P; Triacryloylhexahydro-s-triazine; Triacryloylperhydrotriazine; Triacryloylhexahydrotriazine; Tri(N-acryloyl)hexahydrotriazine; Tris(N-acryloyl)hexahydrotriazine; Tris(acryloyl)hexahydro-s-triazine; 1,3,5-Triazine, hexahydro-1,3,5-tris(1-oxo-2-propenyl)-; 1,3,5-Triacryloyl-s-triazine; EK-8694; 1,3,5-Triacryloylhexahydrotriazine; 1,3,5-Triacryloylhexahydro-s-triazine; Hexahydro-1,3,5-triacryloyl-s-triazine; s-Triazine, 1,3,5-triacryloylhexahydro-; NSC 8185; 1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one; Hexahydro-1,3,5-triacryloyltriazine; UNII-P69A1S76RB; NSC 63839; 1,3,5-Triacryloyltrimethylenetriamine; Hexahydro-1,3,5-tris(1-oxoallyl)-1,3,5-triazine; 1,3,5-Tris(acryloyl)hexahydro-s-triazine; s-Triazine, hexahydro-1,3,5-triacryloyl-; P69A1S76RB; NSC63839; DU 801;NSC 8185;Fixierer P; 1,3,5-triacryloyl-hexahydro-s-triazine; 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)trisprop-2-en-1-one; 2-Propen-1-one, 1,1',1''-(1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris-; 1,5-Triacryloyl-s-triazine; 1,5-Triacryloylhexahydrotriazine; Hexahydro-1,5-triacryloyltriazine; 1,5-Triacryloyltrimethylenetriamine; 1,5-Triacryloylhexahydro-s-triazine; Hexahydro-1,5-triacryloyl-s-triazine; s-Triazine,3,5-triacryloylhexahydro-; 1,5-Tris(acryloyl)hexahydro-s-triazine; Triacryloylhexa-1,3,5-hydrotriazine; 1,5-Triacryloylhexahydro-1,3,5-triazine; EINECS 213-501-6; BRN 0225908; 1,5-Triazine, hexahydro-1,3,5-tris(1-oxo-2-propenyl)-; AI3-50778; Hexahydro-1,3,5-tris(1-oxo-2-propenyl)-1,3,5-triazine; EC 213-501-6; NCIOpen2_002638; 4-26-00-00012 (Beilstein Handbook Reference); SCHEMBL214239; DTXSID8052645; ZINC62264; NSC8185; 1-(3,5-diacryloyl-1,3,5-triazinan-1-yl)-2-propen-1-one; HMS1667F02; AMY12551; NSC-8185; 1,3, 5-Triacryloylhexahydrotriazine; 1-[3,5-bis(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one; CCG-51428; MFCD00035738; NSC-63839; STK696230; AKOS005524478; Hexahydro-1,3, 5-triacryloyltriazine; 1,3, 5-Triacryloyltrimethylenetriamine; MCULE-5012829636; 1,3,5-Triacryloyl-1,3,5-triazinane; BS-43826; 1,3,5-Triacryloyl-1,3,5-triazinane #; 1,3, 5-Tris(acryloyl)hexahydro-s-triazine; T1000; 1,3, 5-Triacryloylhexahydro-1,3,5-triazine; E78999; SR-01000089822; 1,3,5-Triacryloylhexahydro-1,3,5-triazine, 98%; SR-01000089822-1; SR-01000089822-2; Q27286283; 1,3,5-Triazine, hexahydro-1,3, 5-tris(1-oxo-2-propenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	63839	.	.	.	.	249.27	C12H15N3O3	60.9	343	0.6	18	0	3	3	"InChI=1S/C12H15N3O3/c1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h4-6H,1-3,7-9H2"	C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C	FYBFGAFWCBMEDG-UHFFFAOYSA-N
DG50553	1-Benzyl-4-[(4-chlorophenyl)amino]piperidine-4-carbonitrile	70418	972-20-3; 1-benzyl-4-[(4-chlorophenyl)amino]piperidine-4-carbonitrile; 1-benzyl-4-(4-chloroanilino)piperidine-4-carbonitrile; 1-Benzyl-4-((4-chlorophenyl)amino)piperidine-4-carbonitrile; NSC73396; EINECS 213-545-6; SCHEMBL654710; DTXSID10242772; ZINC393833; NSC 73396; NSC-73396; AKOS024323084; MCULE-1874470927; 1-BENZYL-4-(4-CHLOROANILINO)-4-CYANOPIPERIDINE; 1-Benzyl-4-(4-chloro-phenylamino)-piperidine-4-carbonitrile; 1-Benzyl-4-[(4-chlorophenyl)amino]-4-piperidinecarbonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73396	.	.	.	.	325.8	C19H20ClN3	39.1	408	4.2	23	1	3	4	"InChI=1S/C19H20ClN3/c20-17-6-8-18(9-7-17)22-19(15-21)10-12-23(13-11-19)14-16-4-2-1-3-5-16/h1-9,22H,10-14H2"	C1CN(CCC1(C#N)NC2=CC=C(C=C2)Cl)CC3=CC=CC=C3	VVMOFVNFPBAHLP-UHFFFAOYSA-N
DG50554	3-Bromopyruvic acid	70684	"3-bromopyruvic acid; bromopyruvic acid; 1113-59-3; 3-bromo-2-oxopropanoic acid; 3-Bromo-2-oxopropionic acid; bromopyruvate; 3-bromopyruvate; Pyruvic acid, bromo-; Propanoic acid, 3-bromo-2-oxo-; UNII-63JMV04GRK; .beta.-Bromopyruvic acid; MFCD00002587; 63JMV04GRK; 3-bromo-2-oxo-propionic acid; Bromopyruvicacid; C3H3BrO3; 3-BrPA; EINECS 214-206-5; NSC 11731; NSC 62343; BRN 1746786; BPV; bromo-2-oxopropanoic acid; SCHEMBL8126; NCIOpen2_000241; 3-BP; 3-bromo-2-keto-propionic acid; CHEMBL177837; 3-Bromo-2-oxopropanoic acid #; 3-Bromopyruvic acid hydrate,98; DTXSID7040940; CHEBI:95046; CHEBI:131461; Hexokinase II Inhibitor II;3-BP; HMS3741K19; HMS3866H13; ACT09279; Hexokinase II Inhibitor II, 3-BP; NSC11731; NSC62343; ZINC1718542; NSC-11731; NSC-62343; NSC782120; s5426; Bromopyruvic acid, >=97.0% (T); AKOS015892643; AM84337; CCG-266336; CS-5517; MCULE-4768170572; NSC-782120; AS-16146; DA-15474; HY-19992; S691; B1153; FT-0623262; EN300-67360; Bromopyruvic acid; 3-bromo-2-oxopropanoic acid; 3-bromo-2-oxopropanoic acid;3-Bromopyruvic acid; J-511892; J-650255; Q3608257; BRD-K92980438-001-01-7; Hexokinase II Inhibitor II, 3-BP - CAS 1113-59-3; Z2690354216"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	62343	.	.	.	.	166.96	C3H3BrO3	54.4	98.4	0.5	7	1	3	2	"InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)"	C(C(=O)C(=O)O)Br	PRRZDZJYSJLDBS-UHFFFAOYSA-N
DG50555	"2,2':6',2''-Terpyridine"	70848	"2,2':6',2''-Terpyridine; 1148-79-4; Tripyridyl; Tripyridine; 2,6-Bis(2-pyridyl)pyridine; terpy; 2,6-dipyridin-2-ylpyridine; TERPYRIDINE; 2,2',2''-Terpyridyl; 2,2',2''-Tripyridyl; 2,2',2''-Terpyridine; 2,2',2''-Tripyridine; Ba 2799; 2,6-Di(2-pyridyl)pyridine; 2,2'2''-Tripyridyl; TCMDC-123985; NSC 3905; UNII-G5E357ISH5; NSC 36755; 2,6-Di(pyridin-2-yl)pyridine; alpha,alpha',alpha''-Tripyridyl; NSC3905; [2,2';6',2'']Terpyridine; 2,2'6',2'-terpyridine; MLS000048666; G5E357ISH5; GNF-PF-4776; alpha,alpha',alpha''-Terpyridine; CHEBI:245199; NSC36755; 2,2''-Terpyridyl; 2,2''-Tripyridyl; 2,2''-Terpyridine; 2,2''-Tripyridine; SMR000060049; 1(2),2(2):2(6),3(2)-terpyridine; .alpha.,.alpha.''-Tripyridyl; 2,2':6',2''-Terpyridine;2,2':6',2''-Terpyridine; CCRIS 3429; EINECS 214-559-5; Alpha,Alpha,Alpha-Tripyridyl; 2,2/':6/',2/'/'-Terpyridine; a,a',a''-Tripyridyl; 6',2'']Terpyridine; Enamine_000115; 2,2:6,2-terpyridine; NCIMech_000074; 2,6-dipyridin-2-ylpyridin; SCHEMBL57442; YSWG795; cid_70848; CHEMBL89445; 2,2'6',2''-terpyridine; 2,2',6',2 -Terpyridine; 2,2':6',2'-Terpyridine; alp.,alp.',alp.'-Tripyridyl; 2,6-bis(2-pyridinyl)pyridine; ZINC9065; DTXSID2061567; BDBM38924; HMS1394F05; HMS2456B12; KUC105324N; BCP33988; NSC-3905; CCG-35469; KSC-8-139; MFCD00006213; NSC-36755; STK721799; 2,2\\':6\\',2\\'\\'-terpyridine; AKOS001032185; AM84346; CS-W004573; MCULE-7869708671; SC11759; 2,2',6',2''-TERPYRIDINE; .alpha.,.alpha.',.alpha.''-Tripyridyl; 2,2':6',2''-Terpyridine, 98%; .alpha.,.alpha.',.alpha.''-Terpyridine; CS-13012; NCI60_003699; DB-050437; FT-0600048; T0024; Z3407; 2,2'':6'',2''''-TERPYRIDINE; 2,2',2''-TERPYRIDINE, 98+ %; F11629; 148T794; Q408228; J-400124; 2,2':6',2''-Terpyridine, for spectrophotometric det. of Ag, Fe, Ru, >=98.5%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36755	.	.	.	.	233.27	C15H11N3	38.7	232	2.4	18	0	3	2	InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H	C1=CC=NC(=C1)C2=NC(=CC=C2)C3=CC=CC=N3	DRGAZIDRYFYHIJ-UHFFFAOYSA-N
DG50556	"1,2-Dibenzoylbenzene"	70875	"1,2-Dibenzoylbenzene; 1159-86-0; 1,2-Phenylenebis(phenylmethanone); 2-Benzoylbenzophenone; (2-benzoylphenyl)(phenyl)methanone; (2-benzoylphenyl)-phenylmethanone; Methanone, 1,2-phenylenebis[phenyl-; ortho-Dibenzoylbenzene; NSC6145; MLS000736538; Methanone, 1,2-phenylenebis(phenyl-; o-DIBENZOYLBENZENE; Phthalophenon; EINECS 214-597-2; o-benzoylbenzophenone; o--Dibenzoyl benzene; Benzene, o-dibenzoyl-; Maybridge4_002067; 1,2-bis(benzoyl)benzene; Methanone,1,1'-(1,2-phenylene)bis[1-phenyl-; Methanone, 1,1'-(1,2-phenylene)bis[1-phenyl-; MLS001181982; SCHEMBL700595; CHEMBL1719543; (2-benzoylphenyl)-phenylmethanon; OJLABXSUFRIXFL-UHFFFAOYSA-; DTXSID90151217; HMS1526N21; HMS2794G15; HMS2865D09; NSC 6145; NSC-6145; ZINC1036880; [2-(benzoyl)phenyl]-phenylmethanone; 2609AA; MFCD00003078; AKOS015839033; CCG-237437; MCULE-9155254238; NCGC00176957-01; AS-66434; SMR000445964; SMR000567712; DB-041299; FT-0611295; AE-641/00433012; BRD-K35692746-001-01-5; BRD-K35692746-001-09-8; Z1636233568"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6145	.	.	.	.	286.3	C20H14O2	34.1	351	4.7	22	0	2	4	InChI=1S/C20H14O2/c21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)16-11-5-2-6-12-16/h1-14H	C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3	OJLABXSUFRIXFL-UHFFFAOYSA-N
DG50557	"4,4'-Bis(dimethylamino)thiobenzophenone"	71045	"1226-46-6; 4,4'-Bis(dimethylamino)thiobenzophenone; Michler's thione; Methanethione, bis[4-(dimethylamino)phenyl]-; Michler's thioketone; Bis[4-(dimethylamino)phenyl]methanethione; p,p'-Bis(dimethylamino)thiobenzophenone; Thiomichler's Ketone; Bis(4-(dimethylamino)phenyl)methanethione; NSC 30656; UNII-P27X4MS4EV; P27X4MS4EV; Benzophenone, 4,4'-bis(dimethylamino)thio-; C17H20N2S; NSC30656; Methanethione, bis(4-(dimethylamino)phenyl)-; Bis(4-(dimethylamino)phenyl)methanethione (Sensitive spectrophotometric reagent for Au.etc, use for the determination of residual chlorine); N,N,N',N'-Tetramethyl-4,4'-diaminothiobenzophenone; Thio-michler's ketone; EINECS 214-962-6; Thiomicoler's ketone; bis(4-dimethylaminophenyl)methanethione; 4,4-Bis(Dimethylamino)Thiobenzophenone; 4,4'-bis-(Dimethylamino)thiobenzophenone; Maybridge3_002856; Oprea1_168625; Oprea1_556887; SCHEMBL196733; DTXSID3061633; HMS1439B18; ZINC162123; MFCD00040477; NSC-30656; STK368897; Thiomichler's ketone, technical grade; AKOS005444624; p,p'-Tetramethyldiaminothiobenzophenone; AM84359; CCG-237420; MCULE-8432101443; Benzophenone,4'-bis(dimethylamino)thio-; IDI1_014243; 4,4'-Bis(Dimethylamino)Thio Benzophenone; 4,4/'-Bis(dimethylamino)thiobenzophenone; 4,4\\'-Bis(dimethylamino)thiobenzophenone; FT-0617018; Z3745; Benzophenone, 4, 4'-bis(dimethylamino)thio-; 4,4'-Bis(dimethylamino)thiobenzophenone, 85%; Methanethione, {bis[4-(dimethylamino)phenyl]-}; 226B466; A891087; Benzophenone, 4,4'-bis(dimethylamino)thio- (8CI); W-108427; Q17173074; 4,4-Bis-(dimethylamino)thiobenzophenone; Thiomichlers ketone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30656	.	.	.	.	284.4	C17H20N2S	38.6	281	4.5	20	0	3	4	"InChI=1S/C17H20N2S/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3"	CN(C)C1=CC=C(C=C1)C(=S)C2=CC=C(C=C2)N(C)C	KFUJUTFTRXYQMG-UHFFFAOYSA-N
DG50558	Naphthol AS-BI	71060	"Naphthol AS-BI; 1237-75-8; 7-Bromo-3-hydroxy-N-(2-methoxyphenyl)-2-naphthamide; 2-Naphthalenecarboxamide, 7-bromo-3-hydroxy-N-(2-methoxyphenyl)-; MLS000766261; 7-bromo-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide; NSC-367089; SMR000528861; Naphthol AS BI; NAPHTHOLAS-BI; EINECS 214-980-4; NSC 367089; AI3-50089; cid_71060; Naphthol AS-BI, 94.0%; SCHEMBL6430894; Naphthol AS-BI,CI 37566; CHEMBL1543865; DTXSID3061637; BDBM50747; HMS2880I21; ZINC642588; Naphthol as-bi,c.i. no. 37566; MFCD00004077; NSC367089; AKOS015916258; MCULE-2178833165; Naphthol AS-Bi, C.I. no. 37566; NCGC00246802-01; LS-14621; C.I.37566; DB-041743; FT-0633505; F15102; N-1900; N-1901; A851428; 7-Bromo-3-hydroxy-N-(2-methoxyphenyl)-2-naphthamide #; 7-Bromo-3-hydroxy-2-(N-2-methoxyphenyl)-naphthalenecarboxamide; 7-bromo-3-hydroxy-N-(2-methoxyphenyl)-2-naphthalenecarboxamide; 7-bromanyl-N-(2-methoxyphenyl)-3-oxidanyl-naphthalene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	367089	.	.	.	.	372.2	C18H14BrNO3	58.6	419	4.9	23	2	3	3	"InChI=1S/C18H14BrNO3/c1-23-17-5-3-2-4-15(17)20-18(22)14-9-12-8-13(19)7-6-11(12)10-16(14)21/h2-10,21H,1H3,(H,20,22)"	COC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)O	JIEINYQEXWLMCU-UHFFFAOYSA-N
DG50559	Vinburnine	71203	"Vinburnine; (-)-Eburnamonine; 4880-88-0; Vincamone; eburnamonine; l-Eburnamonine; Eburnal; Eburnamonine (-); Vinburnine [INN]; Eburnamonine (-)-form; UNII-G54D0HMY25; CH-846; CHEBI:4740; G54D0HMY25; 2580-88-3; Vinburnine (INN); NSC322920; NSC-322920; (+/-)-Eburnamonine; Eburnal ritardo; cis-Vincamone; DSSTox_CID_25119; DSSTox_RID_80685; DSSTox_GSID_45119; (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-one; Vincamona [Spanish]; Vinburnina; Vinburninum; Vincanorine; Vincamona; DL-Eburnamonine; Vinburninum [INN-Latin]; Vinburnina [INN-Spanish]; (-)-Eburnamonina; (-)-Eburnamonina [Spanish]; (-)-Vincamone; 3-alpha,16-alpha-Eburnamonine; (+/-)-Vincamone; MLS000758467; EINECS 225-490-5; Vinburnine, (+/-)-; CH 846; NSC 322920; 3alpha,16alpha-Eburnamonine; Eburnalritardo; Vinburnine base; (3alpha,16alpha)-Eburnamenin-14(15H)-one; (3-alpha,16-alpha)-Eburnamin-14(15H)-one; Eburnamonine (+/-)-form [MI]; NCGC00014750-02; Cervoxan (TN); Prestwick_189; CAS-4880-88-0; Eburnamenin-14(15H)-one, (+/-)-; Spectrum_000379; Prestwick0_000607; Prestwick1_000607; Prestwick2_000607; Prestwick3_000607; Spectrum2_001504; Spectrum3_001199; Spectrum4_000751; Spectrum5_000938; NCIStruc1_000941; NCIStruc2_000870; BSPBio_000514; BSPBio_002877; GTPL345; KBioGR_001102; KBioSS_000859; MLS002153906; DivK1c_000411; SCHEMBL456385; SPBio_001547; SPBio_002733; BPBio1_000566; MEGxp0_001871; CHEMBL1892145; DTXSID6045119; ACon1_000004; HMS501E13; KBio1_000411; KBio2_000859; KBio2_003427; KBio2_005995; KBio3_002377; AOB5555; NINDS_000411; 3.alpha.,16.alpha.-eburnamonine; HMS1569J16; HMS2096J16; HMS2233K13; HMS3713J16; ACT03251; BCP02373; HY-B1180; Tox21_110060; CCG-36740; NCI322920; s5681; ZINC19796061; AKOS015896486; Tox21_110060_1; CS-4789; DB13793; FD10193; MCULE-1030644698; MCULE-3457597200; IDI1_000411; NCGC00262533-02; NCGC00262533-03; AC-26459; BS-16859; NCI60_002800; SMR001233255; (3 ,16 )-Eburnamenin-14(15H)-one; SBI-0051740.P002; Eburnamenin-14(15H)-one, (3a,16a)-; W6490; C09149; D08676; A871877; Q2526386; BRD-K40227168-001-03-8; BRD-K40227168-001-06-1; Eburnamin-14(15H)-one, (3-alpha,16-alpha)- (9CI); UNII-64UB2942IE component WYJAPUKIYAZSEM-MOPGFXCFSA-N; NCGC00262533-03_C19H22N2O_(3alpha,16alpha)-14,15-Dihydroeburnamenin-14-one; (31S,6aS)-6a-ethyl-31,4,5,6,6a,7-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-8(2H)-one; (41S,13aS)-13a-Ethyl-2,3,5,6,13,13a-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-12(41H)-one; (41S,13aS)-13a-Ethyl-41-methyl-2,3,5,6,13,13a-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-12(41H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	322920	.	.	.	.	294.4	C19H22N2O	25.2	492	3	22	0	2	1	"InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1"	CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=O)C2	WYJAPUKIYAZSEM-MOPGFXCFSA-N
DG50560	Anaxirone	71218	"Anaxirone; 77658-97-0; 1,2,4-Triglycidylurazol; NSC-332488; UNII-36R61Y789T; 1,2,4-tris(oxiran-2-ylmethyl)-1,2,4-triazolidine-3,5-dione; 36R61Y789T; TGU; Triglycidylurazole; Anaxirone [INN]; Anaxironum [Latin]; Anaxirona [Spanish]; Anaxironum; Anaxirona; EINECS 278-745-8; NSC 332488; Triglycidylurazol; triglycidyl urazole; Tris(2,3-epoxypropyl)bicarbamimide; N,N',N''-Triglycidyl-1,2,4-triazolidine-3,5-dione; 1,2,4-Triazolidine-3,5-dione, 1,2,4-tri(oxiranylmethyl)-; 1,2,4-Tris(oxiranylmethyl)-1,2,4-triazolidine-3,5-dione; 1,2,4-Triazolidine-3,5-dione, 1,2,4-tris(oxiranylmethyl)-; 1,2,4-triglycidyl urazole; SCHEMBL93704; CHEMBL2105991; DTXSID10868451; NSC332488; DS-008196; Q27256591; 1,4-Triazolidine-3,5-dione, 1,2,4-tri(oxiranylmethyl)-; 1,4-Triazolidine-3,5-dione, 1,2,4-tris(oxiranylmethyl)-; 1,2,4-Triazolidine-3,5-dione,1,2,4-tris(2-oxiranylmethyl)-; 1,2,4-Tris[(oxiran-2-yl)methyl]-1,2,4-triazolidine-3,5-dione; 1,4-Triazolidine-3,5-dione, 1,2,4-tris(oxiranylmethyl)-, .alpha.-isomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332488	.	.	.	.	269.25	C11H15N3O5	81.4	399	-1.4	19	0	5	6	"InChI=1S/C11H15N3O5/c15-10-12(1-7-4-17-7)11(16)14(3-9-6-19-9)13(10)2-8-5-18-8/h7-9H,1-6H2"	C1C(O1)CN2C(=O)N(N(C2=O)CC3CO3)CC4CO4	ZTXDHEQQZVFGPK-UHFFFAOYSA-N
DG50561	Dexrazoxane	71384	"Dexrazoxane; 24584-09-6; Zinecard; (S)-4,4'-(Propane-1,2-diyl)bis(piperazine-2,6-dione); Cardioxane; ICRF-187; Dextrorazoxane; Dexrazoxanum; Dexrazoxano; Dexrazoxanum [INN-Latin]; Dexrazoxano [INN-Spanish]; ADR 529; ICRF 187; (+)-(S)-4,4'-Propylenedi-2,6-piperazinedione; Dexrazone; 4-[(2S)-2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione; (+)-1,2-Bis(3,5-dioxo-1-piperazinyl)propane; ADR-529; Desrazoxane; UNII-048L81261F; NSC169780; CHEBI:50223; 2,6-Piperazinedione, 4,4'-[(1S)-1-methyl-1,2-ethanediyl]bis-; NSC-169780; NSC 169780; MFCD00866449; Razoxanum [INN-Latin]; Razoxana [INN-Spanish]; 048L81261F; 4-[(2S)-1-(3,5-dioxopiperazin-1-yl)propan-2-yl]piperazine-2,6-dione; (S)-1,2-Bis(3,5-dioxo-1-piperazinyl)propane; DSSTox_CID_20647; DSSTox_RID_79520; DSSTox_GSID_40647; (S)-4,4'-(Propane-1,2-diyl)-bis(piperazine-2,6-dione); (+)-dexrazoxane; CAS-24584-09-6; 2,6-Piperazinedione, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (+)-; 2,6-Piperazinedione, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (S)-; HSDB 7319; 2,6-Piperazinedione, 4,4'-propylenedi-, (+)-; SR-01000883995; Dexrazoxane HCl (ICRF-187, ADR-529); BRN 5759131; Soluble ICRF (L-isosomer); Dexrazoxane [USAN:INN:BAN]; CCRIS 9394; Razoxane, d-; NCGC00164737-01; Dexrazoxane- Bio-X; Razoxane, (s)-; CHEMBL1738; Dexrazoxane ((S)-Razoxane); SCHEMBL18400; MLS006010158; BIDD:GT0068; Dexrazoxane (JAN/USAN/INN); (S)-(+)-1,2-Bis(3,5-dioxopiperazin-1-yl)propane; 4,4'-(2S)-propane-1,2-diyldipiperazine-2,6-dione; GTPL7330; DTXSID3040647; Dexrazoxane, >=95% (HPLC); AMY39004; HY-B0581; Tox21_112256; 2, 4,4'-propylenedi-, (+)-; s5651; ZINC87515509; AKOS015896392; Tox21_112256_1; (+)-1,5-dioxopiperazin-1-yl)propane; CCG-267131; DB00380; DS-1394; NCGC00263544-01; NCGC00263544-02; BD164365; Dexrazoxane, analytical reference material; NCI60_001367; SMR002529680; (S)-(+)-1,5-dioxopiperazin-1-yl)propane; D4227; D03730; J90038; AB01273932-01; AB01273932-02; AB01273932_03; 2,4,4'-[(1S)-1-methyl-1,2-ethanediyl]bis-; 584D096; A817380; Q524995; 2,4,4'-(1-methyl-1,2-ethanediyl)bis-, (S)-; J-015579; J-520219; SR-01000883995-1; SR-01000883995-2; SR-01000883995-5; (S)-4,4'-(propane-1,2-diyl)dipiperazine-2,6-dione; BRD-K07265709-003-01-5; (S)-4,4-(Propane-1,2-diyl)bis(piperazine-2,6-dione); 4,4'-[(2S)-1,2-Propanediyl]di(2,6-piperazinedione); UNII-5AR83PR647 component BMKDZUISNHGIBY-ZETCQYMHSA-N; 2,6-Piperazinedione, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (+)- (9CI); 6-hydroxy-4-[(2S)-2-(5-hydroxy-3-oxo-1,2,3,6-tetrahydropyrazin-1-yl)propyl]-2,3,4,5-tetrahydropyrazin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	169780	.	.	.	.	268.27	C11H16N4O4	98.8	404	-1.4	19	2	6	3	"InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1"	C[C@@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2	BMKDZUISNHGIBY-ZETCQYMHSA-N
DG50562	Etibendazole	71745	"Etibendazole; 64420-40-2; UNII-1XU086MM3H; 1XU086MM3H; NSC-313432; R-34,803; Etibendazol; Etibendazolum; Carbamic acid, (5-(2-(4-fluorophenyl)-1,3-dioxolan-2-yl)-1H-benzimidazol-2-yl)-, methyl ester; Etibendazol [Spanish]; Etibendazolum [Latin]; Etibendazole [USAN:INN]; Etibendazole (USAN/INN); SCHEMBL635506; R 34,803; CHEMBL2104600; DTXSID00867074; ZINC5386462; NSC313432; Methyl 5-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)-2-benzimidazolecarbamate; NSC 313432; methyl N-[6-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]carbamate; D04094; R34803; R 34803; R-34803; Q27253122; Carbamic acid,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]-, methyl ester; [5-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]carbamic acid methyl ester; methyl {6-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl}carbamate; Methyl(5-(2-(4-fluorophenyl)-1,3-dioxolan-2-yl)-1H-benzimidazole-2-yl)carbamate; methyl{ 5-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl}carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	313432	.	.	.	.	357.3	C18H16FN3O4	85.5	509	2.5	26	2	6	4	"InChI=1S/C18H16FN3O4/c1-24-17(23)22-16-20-14-7-4-12(10-15(14)21-16)18(25-8-9-26-18)11-2-5-13(19)6-3-11/h2-7,10H,8-9H2,1H3,(H2,20,21,22,23)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)C3(OCCO3)C4=CC=C(C=C4)F	PEVOWKBJMJVUSV-UHFFFAOYSA-N
DG50563	Daniquidone	71750	"Daniquidone; Batracylin; 67199-66-0; 8-Aminoisoindolo[1,2-b]quinazolin-12(10H)-one; Bay H 2049; NSC-320846; NSC320846; UNII-E780TX33D2; 8-Amino-10H-isoindolo[1,2-b]quinazolin-12-one; Isoindolo(1,2-b)quinazolin-12(10H)-one, 8-amino-; CHEMBL114283; E780TX33D2; 8-Aminoisoindolo(1,2-b)quinazolin-12(10H)-one; Daniquidona; Daniquidonum; Daniquidonum [INN-Latin]; Daniquidona [INN-Spanish]; NSC 320846; CCRIS 6840; BAY H-2049; Daniquidone [INN:BAN]; BRN 0667315; d3-Batracylin; d4-Batracylin; D7-Batracylin; 8-aminoisoindolo(1,2-b)quinazolin-12(10H)one; Isoindolo[1, 8-amino-; NCIMech_000548; DSSTox_CID_31591; DSSTox_RID_97475; DSSTox_GSID_57802; SCHEMBL93613; ZINC3827; DTXSID3057802; Quinazolin-12(10H)-one der.; BAY-H 2049; BAY-H-2049; Tox21_113867; BDBM50037511; CCG-35968; NSC751453; NSC751454; NSC752895; DB12804; NSC-751453; NSC-751454; NSC-752895; NCGC00253752-01; NCI60_002776; CAS-67199-66-0; Q27276962; [1,2,3,4,6,7,9-D7]-8-amino-10,12-dihydro-isoindolo[1,2-b]quinazolin-12(10H)-one(11)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	320846	.	.	.	.	249.27	C15H11N3O	58.7	433	1.4	19	1	3	0	"InChI=1S/C15H11N3O/c16-10-5-6-13-9(7-10)8-18-14(17-13)11-3-1-2-4-12(11)15(18)19/h1-7H,8,16H2"	C1C2=C(C=CC(=C2)N)N=C3N1C(=O)C4=CC=CC=C43	SRIOCKJKFXAKHK-UHFFFAOYSA-N
DG50564	Mitozolomide	71766	"Mitozolomide; Azolastone; 85622-95-3; Mitozolamide; CCRG 81010; NSC 353451; NSC-353451; UNII-E3U7286V3W; M & B 39565; 8-Carbamoyl-3-(2-chloroethyl)imidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one; MLS003171125; E3U7286V3W; NSC353451; 3-(2-Chloroethyl)-3,4-dihydro-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide; Imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide, 3-(2-chloroethyl)-3,4-dihydro-4-oxo-; Mitozolomidum [Latin]; Mitozolomida; Mitozolomida [Spanish]; Mitozolomidum; 3-(2-Chloroethyl)-3,4-dihydro-4-oxoimidazo(5,1-d)-as-tetrazine-8-carboxamide; EINECS 287-943-3; Mitozolomide [INN:BAN]; BRN 3618072; M&B-39565; 8-carbamoyl-3-(2-chloroethyl)imidazo[5,1-d]-1,2,3,5-tetrazin-4(3h)-one; 3-(2-Chloroethyl)-3,4-dihydro-4-oxoimidazo[5,1-d]-as-tetrazine-8-carboxamide; Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide, 3-(2-chloroethyl)-3,4-dihydro-4-oxo-; SCHEMBL97695; CHEMBL435951; DTXSID40234862; CCRG-81080; ZINC1433280; 3-(2-chloroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; 46241-RP; NCI60_003169; SMR001875033; DB-056878; FT-0630937; Q6881926; 3-(2-chloroethyl)-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; 8-Carbamoyl-3-(2-chloroethyl)-imidazo[5,1-d]-1,2,3,5-tetrazin-4-one; {Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide,} 3-(2-chloroethyl)-3,4-dihydro-4-oxo-; 3-(2-Chloroethyl)-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetraazine-8-carboxamide; 3-(2-Chloroethyl)-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetraazine-8-carboxamide #; 3-(2-chloroethyl)-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; Imidazo[5,2,3,5-tetrazine-8-carboxamide, 3-(2-chloroethyl)-3,4-dihydro-4-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353451	.	.	.	.	242.62	C7H7ClN6O2	106	348	-0.5	16	1	5	3	"InChI=1S/C7H7ClN6O2/c8-1-2-14-7(16)13-3-10-4(5(9)15)6(13)11-12-14/h3H,1-2H2,(H2,9,15)"	C1=NC(=C2N1C(=O)N(N=N2)CCCl)C(=O)N	QXYYYPFGTSJXNS-UHFFFAOYSA-N
DG50565	Hydrastinine Hydrochloride	71833	"Hydrastinine Hydrochloride; 4884-68-8; HYDRASTININE HCL; Hydrastinine (hydrochloride); HYDRASTININE HCL(RG); 6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol;hydrochloride; NSC-93766; NSC-755892; SR-05000001543; Hydrastinine hydrochloride [NF]; Prestwick_920; EINECS 225-497-3; Hydrastininum muriaticum; Hydrastinine hydrochloirde; CAS-4884-68-8; DSSTox_CID_27854; DSSTox_RID_82607; C11H13NO3.HCl; DSSTox_GSID_47878; SPECTRUM310006; CHEMBL1517651; DTXSID0047878; HMS1568H11; Pharmakon1600-00310006; HY-B1181; NSC93766; Tox21_200396; 5864AF; CCG-40133; NSC 93766; NSC755892; CS-4790; NCGC00095862-01; NCGC00257950-01; SW197038-2; SR-05000001543-2; Q27289032; 1,5-g]isoquinolin-5-ol, 5,6,7,8-tetrahydro-6-methyl-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755892	.	.	.	.	243.68	C11H14ClNO3	41.9	248	.	16	2	4	0	"InChI=1S/C11H13NO3.ClH/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13;/h4-5,11,13H,2-3,6H2,1H3;1H"	CN1CCC2=CC3=C(C=C2C1O)OCO3.Cl	DLNQCQJCIITVHC-UHFFFAOYSA-N
DG50566	Sicanina	71902	"siccanin; UNII-L702S858Z6; 22733-60-4; NSC 135048; L702S858Z6; NSC-135048; Sicanina; Siccanine; Siccaninum; NSC135048; Siccanin [INN:JAN]; Sicanina [INN-Spanish]; Siccanine [INN-French]; Siccaninum [INN-Latin]; CHEMBL3989494; CHEBI:32128; Q27282791; (13aS)-1,2,3,4,4abeta,5,6,6a,11bbeta,13bbeta-Decahydro-4,4,6abeta,9-tetramethyl-13H-benzo(a)furo(2,3,4-mn)xanthen-11-ol; 13H-Benzo(a)furo(2,3,4-mn)xanthen-11-ol, 1,2,3,4,4a,5,6,6a,11b,13b-decahydro-4,4,6a,9-tetramethyl-, (4aS-(4aalpha,6aalpha,11balpha,13aR*,13balpha))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135048	.	.	.	.	342.5	C22H30O3	38.7	560	4.9	25	1	3	0	"InChI=1S/C22H30O3/c1-13-10-14(23)17-15(11-13)25-21(4)9-6-16-20(2,3)7-5-8-22(16)12-24-18(17)19(21)22/h10-11,16,18-19,23H,5-9,12H2,1-4H3/t16-,18-,19-,21-,22-/m0/s1"	CC1=CC(=C2[C@H]3[C@H]4[C@](CC[C@@H]5[C@]4(CCCC5(C)C)CO3)(OC2=C1)C)O	UGGAILYEBCSZIV-ITJSPEIASA-N
DG50567	7-Hydroxystaurosporine	72271	"7-Hydroxystaurosporine; UCN-01; Ucn 01; 112953-11-4; UNII-7BU5H4V94A; UCN01; KRX-0601; (5s,6r,7r,9r,16r)-16-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5h,14h-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one; UCN-02; 7BU5H4V94A; NSC638850; NSC-638850; (2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one; UCN; KW-2401; (5S,6R,7R,9R,16R)-16-Hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-17-oxa-4b,9a,15-triaza-5,9-methanodibenzo[b,h]cyclonona[jkl]cyclopenta[; (5S,6R,7R,9R,16R)-16-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-17-oxa-4b,9a,15-triaza-5,9-methanodibenzo[b,h]cyclonona[jkl]cyclopenta[e]-as-indacen-14(5H)-one; NSC 638850; 1okz; 8,12-Epoxy-1H,8H-2,7b,12a-triazadibenzo(a,g)cyclonona(cde)triinden-1-one, 2,3,9,10,11,12-hexahydro-3-hydroxy-9-methoxy-8-methyl-10-(methylamino)-; GTPL7907; SCHEMBL1551632; CHEMBL1236539; BDBM17054; DTXSID20150238; KRX0601; ZINC3814435; (+)-UCN-01; DB01933; 9,13-Epoxy-1H,9H-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-3-hydroxy-10-methoxy-9-methyl-11-(methylamino)-, (3-alpha,9-beta,10-alpha,11-alpha,13-beta)-(+)-; NCI60_012974; hydroxy-methoxy-methyl-(methylamino)[ ]one; J-002880; Q27074035; 2,10,11,12,13-Hexahydro-3-hydroxy-10-methoxy-9-methyl- 11-(methylamino)-9,13-epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]-benzodiazonin-1-one; 9,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo [3,4-j][1,7]-benzodiazonin-1-one, 2,3,10,11,12,13- hexahydro-3-hydroxy-10-methoxy-9-methyl- 11-(methylamino)-, [3R-(3.alpha., 9.beta., 10.alpha.,11.alpha., 13.beta.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638850	.	.	.	.	482.5	C28H26N4O4	89.7	935	2.7	36	3	5	2	"InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1"	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)[C@H](NC6=O)O)NC)OC	PBCZSGKMGDDXIJ-HQCWYSJUSA-N
DG50568	Honokiol	72303	"Honokiol; 35354-74-6; 5,3'-Diallyl-2,4'-dihydroxybiphenyl; NSC 293100; 3,5'-Diallyl-4,2'-dihydroxybiphenyl; Honokiol,(S); UNII-11513CCO0N; 3',5-Diallylbiphenyl-2,4'-diol; C18H18O2; CPD000387107; CHEMBL16901; CHEBI:5759; 3',5-diallyl-[1,1'-biphenyl]-2,4'-diol; 4-allyl-2-(3-allyl-4-hydroxy-phenyl)phenol; 11513CCO0N; 5,3'-Diallyl-biphenyl-2,4'-diol; MFCD00016674; [1,1'-Biphenyl]-2,4'-diol, 3',5-di-2-propenyl-; 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol; 2-(4-hydroxy-3-prop-2-enyl-phenyl)- 4-prop-2-enyl-phenol; 2-[4-hydroxy-3-(prop-2-en-1-yl)phenyl]-4-(prop-2-en-1-yl)phenol; SMR000387107; 3',5-di(prop-2-en-1-yl)biphenyl-2,4'-diol; Honokiol, HO; 3',5-diallyl-2,4'-biphenyldiol; 5,3&prime; Honokiol - 95%; Honokiol, analytical standard; cid_72303; MLS000759481; MLS001048916; MLS001423980; MLS006011755; SCHEMBL133034; REGID_for_CID_72303; ZINC1536; GTPL11610; DTXSID30188845; 3',1'-biphenyl)-2,4'-diol; HMS2051C12; HMS2271J07; HMS3393C12; HMS3656G03; AMY40657; BCP28282; HY-N0003; 3',5'-Diallyl-2,4'-biphenyldiol; AC-486; BBL027819; BDBM50157304; NSC293100; s2310; STK801954; 3'',5-diallylbiphenyl-2,4''-diol; Honokiol, >=98% (HPLC), powder; 3,5'-diallyl-2',4-dihydroxybiphenyl; AKOS005622639; 3',5-Diallyl-2,4'-dihydroxybiphenyl; ACN-035410; CCG-100864; CS-1696; MCULE-5001549020; NC00114; NSC-293100; 5,3''-Diallyl-biphenyl-2,4''-diol; SMP2_000040; NCGC00163567-01; NCGC00163567-02; NCGC00163567-03; NCGC00163567-08; AS-15333; O900; XH163752; 5,3''''-Diallyl-biphenyl-2,4''''-diol; FT-0601638; H1309; N1672; SW197494-3; J10347; 354H746; A822747; SR-01000758208; Q-100425; Q5896650; SR-01000758208-5; {1,1'-Biphenyl]-2,4'-diol, 3,5-di-2-propenyl-; 3'',5-di-2-propenyl-1,1''-biphenyl-2,4''-diol; BRD-K98493452-001-01-6; 3',5-Di-2-propen-1-yl[1,1'-biphenyl]-2,4'-diol; Honokiol, European Pharmacopoeia (EP) Reference Standard; [1,1'-Biphenyl]-2,4'-diol, 3',5-di-2-propen-1-yl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	293100	.	.	.	.	266.3	C18H18O2	40.5	325	5	20	2	2	5	"InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2"	C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C	FVYXIJYOAGAUQK-UHFFFAOYSA-N
DG50569	Chelerythrine chloride	72311	"Chelerythrine chloride; 3895-92-9; Chelerythrine hydrochloride; 1,2-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-12-ium chloride; UNII-7IC98TZ0PZ; Chelerythrine (chloride); 7IC98TZ0PZ; CHEMBL258893; MFCD00060717; Chelerythrinechloride; 1,2-Dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridinium chloride; 1,2-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]-benzo[1,2-c]phenanthridin-12-ium chloride; 3895-92-9 (chloride); 34316-15-9 (cation).; C21H18ClNO4; 1,2-Dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium chloride; 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridiniumchloride; Chelerythrine HCl; 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;chloride; NSC646662; 1,2-Dimethoxy-N-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium chloride; Chelerythrine, chloride; EINECS 223-444-9; NSC 36405; SR-01000075750; Chelerythrine cloride; Chelerythrine, hydrochloride; SCHEMBL195109; DTXSID70893481; BCPP000287; HMS3229C07; HMS3260B04; HMS3672K05; NSC36405; Tox21_500241; NSC-36405; AKOS016010038; BCP9000516; CCG-206741; CS-0205; LP00241; NSC-646662; (1,3)Benzodioxolo(5,6-c)phenanthridinium, 1,2-dimethoxy-12-methyl-, chloride (9CI); NCGC00093703-01; NCGC00260926-01; AC-34993; AS-17480; HY-12048; BCP0726000282; DB-049354; Chelerythrine Chloride - CAS 3895-92-9; EU-0100241; FT-0602998; V0358; Chelerythrine, hydroxide, hydrochloride (8CI); C 2932; Q-100414; Q-200824; Q-200825; SR-01000075750-1; Q27268347; [1,6-c]phenanthridinium, 1,2-dimethoxy-12-methyl-, chloride; 1,2-dimethoxy-n-methyl-[1,3]benzodioxolo[5,6-c]phenanthridinium chloride; 1,2-Dimethoxy-12-methyl-[1,3]dioxolo[4\\',5\\':4,5]benzo[1,2-c]phenanthridin-12-ium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36405	.	.	.	.	383.8	C21H18ClNO4	40.8	516	.	27	0	5	2	"InChI=1S/C21H18NO4.ClH/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1"	C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[Cl-]	WEEFNMFMNMASJY-UHFFFAOYSA-M
DG50570	Coptisine chloride	72321	"COPTISINE CHLORIDE; 6020-18-4; Coptisine, chloride; Coptisine (chloride); Coptisine hydrochloride; Bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium, 6,7-dihydro-, chloride; 6020-18-4 (chloride); NSC-119754; C19H14ClNO4; Q-100696; 6,7-dihydro-[1,3]dioxolo[4',5':7,8]isoquinolino[3,2-a][1,3]dioxolo[4,5-g]isoquinolin-5-ium chloride; Coptisin Chloride; Coptisine-chloride; NSC 119754; SCHEMBL154528; CHEMBL498722; Coptisine chloride, HPLC Grade; DTXSID00975628; BCP25760; EX-A4900; HY-N0736; MFCD00016676; NSC119754; AKOS015903376; Coptisine Chloride, >=98% (HPLC); CCG-268102; Coptisine chloride, analytical standard; CS-4825; Berbinium, 7,8,13,13a-tetradehydro-2,3:9,10-bis(methylenedioxy)-, chloride (8CI); AC-34919; Bis(methylenedioxy)protoberberine chloride; BS-17288; FT-0665166; N1701; X1110; A14541; Bis[1,6-a:4',5'-g]quinolizinium, 6,7-dihydro-, chloride; 6,7-Dihydro-bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium Chloride; Berbinium,8,13,13a-tetradehydro-2,3:9,10-bis(methylenedioxy)-, chloride; Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizinium, 6,7-dihydro-, chloride (9CI); Q-100696; Q100696; Q 100696; NSC-119754; NSC119754; NSC 119754; 5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene;chloride; 6,7-Dihydro-2H,10H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	119754	.	.	.	.	355.8	C19H14ClNO4	40.8	502	.	25	0	5	0	"InChI=1S/C19H14NO4.ClH/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14;/h1-2,5-8H,3-4,9-10H2;1H/q+1;/p-1"	C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6.[Cl-]	LUXPUVKJHVUJAV-UHFFFAOYSA-M
DG50571	Betulin	72326	"Betulin; 473-98-3; Betulinol; Trochol; Betuline; Betulol; Lup-20(29)-ene-3b,28-diol; Betulinic alcohol; Lup-20(29)-ene-3beta,28-diol; Lup-20(30)-ene-3beta,28-diol; UNII-6W70HN7X7O; NSC 4644; 6W70HN7X7O; CHEBI:3086; (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(Hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol; NSC-4644; MFCD00016802; (3beta)-lup-20(29)-ene-3,28-diol; (1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-5-(hydroxymethyl)-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-17-ol; (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol; SR-05000002167; EINECS 207-475-5; lup-20(29)-ene-3 beta,28-diol; NSC4644; Betulinalkohol; AI3-62999; NSC692218; Lup-20(29)-ene-3,28-diol, (3beta)-; Betulinol (obsol.); Betulin, 23; Betulin, >=98%; Prestwick3_000990; Betulinol (obsol pound(c); Betulin, analytical standard; BSPBio_001059; CHEMBL23236; SCHEMBL131739; BPBio1_001165; MEGxp0_001726; ACon1_000091; BDBM23207; DTXSID101019934; HMS2098E21; EX-A3354; HY-N0083; ZINC3978650; s4754; Lup-20(29)-en-3 ,28-diol; Lup-20(29)-ene-3 ,28-diol; AKOS005267212; Lup-20(29)-ene-3beta ,28-diol; Lup-20(30)-ene-3beta ,28-diol; ACN-035289; CCG-208619; CS-6156; GS-3254; LMPR0106140005; NSC-692218; NCGC00168803-01; NCGC00168803-02; NCGC00168803-04; (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol; AB00513988; B0803; N1290; V0184; (3.beta.)-Lup-20(29)-ene-3,28-diol; C08618; Lup-20(29)-ene-3,28-diol, (3beta )-; 473B983; A827211; Q419726; Q-100501; SR-05000002167-2; SR-05000002167-3; BRD-K64874225-001-01-3; NCGC00168803-04_C30H50O2_Lup-20(29)-ene-3,28-diol, (3beta)-; (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3 a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol; (3aS,5bR,9S,11aR)-3a-(hydroxymethyl)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol;Betulin"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4644	.	.	.	.	442.7	C30H50O2	40.5	786	8.3	32	2	2	2	"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1"	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CO	FVWJYYTZTCVBKE-ROUWMTJPSA-N
DG50572	"Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester)"	72332	"26833-87-4; NSC141633; Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester); SCHEMBL14698329; HSCI1_000363; BRD-A82300017-001-01-1; O1-(methoxy[ ]yl) O4-methyl 2-hydroxy-2-(4-hydroxy-4-methyl-pentyl)butanedioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141633	.	.	.	.	545.6	C29H39NO9	124	968	0.8	39	2	10	11	"InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25+,28-,29 /m0/s1"	CC(C)(CCCC(CC(=O)OC)(C(=O)O[C@H]1[C@@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O	HYFHYPWGAURHIV-ZEDNPHJLSA-N
DG50573	Tubulosine	72341	"Tubulosine; Marckine; 2632-29-3; CHEBI:9775; 10,11-Dimethoxytubulosan-8'-ol; Tubulosan-8'-ol, 10,11-dimethoxy-; UNII-112A6Z7SN5; 112A6Z7SN5; NSC131547; (1R)-1-[[(2S,3R,11bS)-3-Ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol; 10,11-Dimethoxytubulosanol; NSC-131547; Tubulosine (8CI); NSC 131547; NCIStruc1_001471; NCIStruc2_001820; CHEMBL518568; SCHEMBL1920742; Tubulosan-8'-ol,11-dimethoxy-; ZINC3954386; BDBM50480281; NCI131547; (1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol; NCI60_000694; Tubulosan-8'-ol, 10,11-dimethoxy- (9CI); C09248; SR-02000000201-1; Q27108491; 1H-Pyrido[3, 1-[[(2S,3R,11bS)-3-ethyl-1,3,4,6,7,11b-hexahydro- 9,10-dimethoxy-2H-benzo[a]quinolizin-2-yl]methyl]- 2,3,4,9-tetrahydro-, (1R)-; 1H-Pyrido[3,4-b]indol-6-ol, 1-[[(2S,3R,11bS)-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-, (1R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131547	.	.	.	.	475.6	C29H37N3O3	69.8	723	4.6	35	3	5	5	"InChI=1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25+,26-/m0/s1"	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=C(CCN4)C6=C(N5)C=CC(=C6)O)OC)OC	JRVWIILYWSBUMC-PRUVNFMMSA-N
DG50574	Nobiletin	72344	"Nobiletin; 478-01-3; Hexamethoxyflavone; 3',4',5,6,7,8-Hexamethoxyflavone; 5,6,7,8,3',4'-Hexamethoxyflavone; UNII-D65ILJ7WLY; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one; 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; NSC-76751; D65ILJ7WLY; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one; CHEMBL76447; Nobiletin (Hexamethoxyflavone); CHEBI:7602; NSC76751; MFCD03273560; Flavone, 5,6,7,8,3',4'-hexamethoxy; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-; SMR000156231; CCRIS 9012; NSC 76751; CPD000156231; Nobiletin, >=97%; Spectrum2_001697; Spectrum3_000921; Spectrum4_001020; KBioGR_001519; MLS000574877; MLS000759462; MLS000877030; MLS001424129; Nobiletin, analytical standard; SCHEMBL244029; SPECTRUM1505268; SPBio_001654; MEGxp0_000930; ACon1_000921; KBio3_001922; DTXSID30197275; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one; HMS2051D09; HMS2234A09; HMS3373C14; HMS3393D09; HMS3651G20; HY-N0155; ZINC1531669; 3'4'5,6,7,8-Hexamethoxyflavone; 3,4,5,6,7,8-Hexamethoxyflavone; BDBM50338976; CCG-38781; LMPK12111468; NSC618903; STL565829; AKOS015965334; NOBILETIN, 20% (Technical Grade); AC-1023; CS-5518; MCULE-1015144950; NC00186; NSC-618903; SDCCGMLS-0066776.P001; NCGC00095703-01; NCGC00095703-02; NCGC00095703-06; NCGC00169228-01; 5,6,7,8,3'',4''-hexamethoxyflavone; AS-17452; NCI60_041691; DB-050181; FT-0686667; N0871; N1311; S2333; SW197566-2; V0181; A827343; SR-01000712262; Q-100511; Q2402963; SR-01000712262-5; BRD-K06753942-001-02-0; 2-(3,4-Dimethoxy-phenyl)-5,6,7,8-tetramethoxy-chromen-4-one; 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]oxazole; 4H-1-Benzopyran-4-one,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-; 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one, 9CI; 3 inverted exclamation mark ,4 inverted exclamation mark ,5,6,7,8-HEXAMETHOXYFLAVONE; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76751	.	.	.	.	402.4	C21H22O8	81.7	593	3	29	0	8	7	"InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3"	COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC	MRIAQLRQZPPODS-UHFFFAOYSA-N
DG50575	Berberine iodide	72350	"Berberine iodide; 4263-84-7; Berberine, iodide; SCHEMBL1376273; CHEMBL1985435; DTXSID80962617; NSC150446; AKOS000277098; NSC 150446; NSC-150446; Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, iodide; 9,10-Dimethoxy-5,6-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150446	.	.	.	.	463.3	C20H18INO4	40.8	488	.	26	0	5	2	"InChI=1S/C20H18NO4.HI/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1"	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[I-]	COKBTDHQMKTDCJ-UHFFFAOYSA-M
DG50577	5-Iminodaunorubicin	72400	"5-Iminodaunorubicin; 72983-78-9; 5-iminodaunorubicin hydrochloride; UNII-P910685S6G; 5-Iminodaunomycin; P910685S6G; (8S,10S)-8-acetyl-10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one; CCRIS 5676; BRN 4069837; NSC254681; 5(8H)-Naphthacenone der.; 5-ID; CHEMBL3304020; NSC833900; NSC-833900; 5(8H)-Naphthacenone, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-12-imino-1-methoxy-, (8S-cis)-; HY-138645; Q27286385; (8S,10S)-8-acetyl-10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,8,11-trihydroxy-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one; (8S-cis)-8-Acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-(hexopyranosyl)oxy]-7,9,10,12-tetrahydro-6,8,11-trihydroxy-12-imino-1-methoxy-5(8H)-naphthacenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	833900	.	.	.	.	526.5	C27H30N2O9	193	963	1.4	38	6	11	4	"InChI=1S/C27H30N2O9/c1-10-23(31)14(28)7-17(37-10)38-16-9-27(35,11(2)30)8-13-19(16)26(34)20-21(25(13)33)24(32)12-5-4-6-15(36-3)18(12)22(20)29/h4-6,10,14,16-17,23,29,31,33-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,23+,27-/m0/s1"	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=N)C(=CC=C5)OC)O)(C(=O)C)O)N)O	BLLIIPIJZPKUEG-HPTNQIKVSA-N
DG50578	9-Aminocamptothecin	72402	"9-Aminocamptothecin; 91421-43-1; aminocamptothecin; 9-Amino-camptothecin; 9-Amino-cpt; 9-AMINO-20(S)-CAMPTOTHECIN; 9-Amino-20-(S)-camptothecin; UNII-5MB77ICE2Q; NSC603071; NSC-603071; 5MB77ICE2Q; CHEMBL274070; (S)-10-Amino-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; CHEBI:80755; (S)-10-Amino-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]-indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; Camptothecin, 9-amino-; (19S)-8-amino-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione; (S)-10-amino-4-ethyl-4-hydroxy-1,12-dihydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H)-dione; 10-amino-4(s)-4-ethyl-4-hydroxy-1h-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4h,12h)-dione; 10-Amino-4(S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; MLS002702905; NSC 603071; IDEC-132; NSC-629971; 9-aminocamptothecan; 9-amino camptothecin; 9-NH2-Camptothecin; 9-amino-2(S)-camptothecin; SCHEMBL26578; (S)-10-Amino-4-ethyl-4-hydroxy-1H-pyrano(3;,4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione; cid_72402; MLS000728575; DTXSID10873202; HMS2220K11; HMS3339H11; HMS3749C03; 10-Amino-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione; BCP09002; EX-A4335; 9-amino-CPT (9-Aminocamptothecin); BDBM50008936; MFCD00909855; s2653; ZINC37866089; AKOS015896595; CS-7784; DB12515; NCGC00247552-01; 1H-Pyrano(3;,4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 10-amino-4-ethyl-4-hydroxy-, (S)-; AC-33991; AS-14292; K664; NCI60_004578; SMR000445687; HY-100309; F11420; 421A431; A843867; J-504140; BRD-K09291936-001-07-5; Q27149808; (S)-10-Amino-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-9-nitro-; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 10-amino-4-ethyl-4-hydroxy-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603071	.	.	.	.	363.4	C20H17N3O4	106	775	0.3	27	2	6	1	"InChI=1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O	FUXVKZWTXQUGMW-FQEVSTJZSA-N
DG50579	"10,11-Methylenedioxy-20S-camptothecin"	72403	"135415-73-5; 10,11-Methylenedioxy-20S-camptothecin; Mdo-cpt; 10,11-Methylenedioxycamptothecin; 10,11-Methylenedioxy-20-camptothecin; 104155-89-7; CHEMBL307794; NSC634724; compound 5z [PMID: 8410981]; (5S)-5-ethyl-5-hydroxy-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(13),2,4(9),14,16,21,23-heptaene-6,10-dione; 10H-1,3-Dioxolo(4,5-g)pyrano(3,4:6,7)indolizino(1,2-b)quinoline-8,11(7H,13H)-dione, 7-ethyl-7-hydroxy-, (7S)-; NSC 634724; 10,11-Methylenedioxy-20-(RS)-camptothecin; 10,11-(Methylenedioxy)-20(S)-camptothecin; 10,11-CH2O2-Camptothecin; GTPL8893; SCHEMBL18296600; DTXSID20908832; ZINC597856; 10,11-Methylenedioxy-camptothecin; EX-A4324; BDBM50036133; NSC-634724; NCI60_011589; A935094; Q27076760; (S)-7-ethyl-7-hydroxy-10,13-dihydro-11H-[1,3]dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11(7H)-dione; (S)-7-Ethyl-7-hydroxy-7H-[1,3]dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11(10H,13H)-dione; 10H-1,3-Dioxolo(4,5-g)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-8,11(7H,13H)-dione, 7-ethyl-7-hydroxy-, (+-)-; 10H-1,3-Dioxolo(4,5-g)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-8,11(7H,13H)-dione, 7-ethyl-7-hydroxy-, (7S)-; 10H-1,5-g]pyrano[3',4':6,7]indolizino[1,2-b] quinoline-8,11(7H,12H)-dione, 7-ethyl-7-hydroxy-, (S)-; 7-ethyl-7-hydroxy-(7S)-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[4,5-g]pyrano[3'',4'':6,7]indolizino[1,2-b]quinoline-8,11-dione; 7-ethyl-7-hydroxy-(7S)-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[5,4-g]pyrano[3'''',4'''':6,7]indolizino[1,2-b]quinoline-8,11-dione; 7-Ethyl-7-hydroxy-2H,10H-[1,3]dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11(7H,13H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634724	.	.	.	.	392.4	C21H16N2O6	98.2	852	0.8	29	1	7	1	"InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3/t21-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C6C(=CC5=C4)OCO6)O	RPFYDENHBPRCTN-NRFANRHFSA-N
DG50580	Picropodophyllin	72435	"Picropodophyllin; Picropodophyllotoxin; 477-47-4; AXL1717; Picropodophyllin (PPP); 17434-18-3; AXL-1717; UNII-0F35AOI227; AXL1717 (Picropodophyllotoxin); AXL 1717; NSC36407; (-)PPP; (5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; CHEBI:75251; 0F35AOI227; NSC-36407; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R-(5-alpha,5a-alpha,8a-alpha,9-alpha))-; cyclolignan PPP; picro-podophyllin; IGF-1R Inhibitor, PPP; NSC 36407; (5R,5aS,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one; (5R,5aS,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one; BRN 0099161; Spectrum_001636; Picropodophyllin (8CI); Spectrum2_000520; Spectrum3_001671; Spectrum4_001836; Spectrum5_000631; BSPBio_003481; KBioGR_002538; KBioSS_002116; SCHEMBL159598; SPECTRUM1504410; SPBio_000479; Podophyllotoxin picropodophyllin; CHEMBL283120; GTPL7873; KBio2_002116; KBio2_004684; KBio2_007252; KBio3_002701; DTXSID80197245; HMS1923O05; BCP18482; EX-A4921; ZINC4098919; CCG-39920; MFCD01742647; NSC799342; s7668; AKOS015965529; CS-1184; DB12802; NSC-799342; SDCCGMLS-0066757.P001; NCGC00161923-01; NCGC00161923-02; NCGC00161923-04; NCGC00161923-29; Picropodophyllotoxin;Picropodophyllin;PPP; AC-20289; BS-16874; HY-15494; X1203; Picropodophyllotoxin, >=96% (HPLC), powder; BRD-K81829253-001-02-9; BRD-K81829253-001-03-7; Q27088385; WLN: T E5 C665 FVO NO PO OHTT&&J DR CO1 DO1 EO1& JQ; (10R,11S,15R,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0 , .0  ,  ]hexadeca-1(9),2,7-trien-12-one; (5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one; (5R,5aS,8aR,9R)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one; 118627-04-6; 5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, [5R-(.alpha.-5a.alpha.,8a.alpha.,9.alpha.)]; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.alpha.,8a.alpha.,9.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36407	.	.	.	.	414.4	C22H22O8	92.7	629	2	30	1	8	4	"InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19+,20-/m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O	YJGVMLPVUAXIQN-HAEOHBJNSA-N
DG50581	Methylbenzoprim	72438	"Methylbenzoprim; 118344-71-1; CHEMBL56170; MLS002701717; 5-[4-[benzyl(methyl)amino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine; NSC382035; NSC-382035; 2,4-Pyrimidinediamine, 6-ethyl-5-[4-[methyl(phenylmethyl)amino]-3-nitrophenyl]-; 2,4-Pyrimidinediamine, 6-ethyl-5-(4-(methyl(phenylmethyl)amino)-3-nitrophenyl)-; NSC 382035; Neuro_000220; cid_72438; SCHEMBL8590014; DTXSID70152101; ZINC3777839; BDBM50058420; ZINC03777839; NCI60_003643; SMR001565314; 2, 6-ethyl-5-[4-[methyl(phenylmethyl) amino]-3-nitrophenyl]-; 5-[4-(Benzyl-methyl-amino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine; 5-[4-[benzyl(methyl)amino]-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine; (methylbenzoprim, MBP) 5-[4-(Benzyl-methyl-amino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382035	.	.	.	.	378.4	C20H22N6O2	127	509	3.3	28	2	7	5	"InChI=1S/C20H22N6O2/c1-3-15-18(19(21)24-20(22)23-15)14-9-10-16(17(11-14)26(27)28)25(2)12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3,(H4,21,22,23,24)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]	NUFNKYNBZYIQDG-UHFFFAOYSA-N
DG50582	Bromochloromethotrexate	72439	"Bromochloromethotrexate; UNII-89MS4IXM22; 89MS4IXM22; NSC98579; NSC-98579; 3'-Bromo-5'-chloromethotrexate; ZINC1643915; NSC 98579; (2S)-2-[[3-bromo-5-chloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid; 1-[(4-{[(2,4-Diaminopteridin-6-yl)methyl]methylamino}-5-bromo-3-chlorophenyl)carbonylamino]propane-1,3-dicarboxylic acid; Glutamic acid, N-(3-bromo-5-chloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, L-; L-Glutamic acid, N-(3-bromo-5-chloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- (9CI); N-[3-Bromo-5-chloro-4-[[(2,4-diaminopteridin-6-yl)methyl]methylamino]benzoyl]-L-glutamic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98579	.	.	.	.	567.8	C20H20BrClN8O5	211	784	0	35	5	12	9	"InChI=1S/C20H20BrClN8O5/c1-30(7-9-6-25-17-14(26-9)16(23)28-20(24)29-17)15-10(21)4-8(5-11(15)22)18(33)27-12(19(34)35)2-3-13(31)32/h4-6,12H,2-3,7H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)/t12-/m0/s1"	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Br)C(=O)N[C@@H](CCC(=O)O)C(=O)O)Cl	AKDWTVCYSZSYQZ-LBPRGKRZSA-N
DG50583	Chlorsulfaquinoxaline	72462	"Chlorsulfaquinoxaline; chloroquinoxaline sulfonamide; 97919-22-7; 4-Amino-N-(5-chloro-2-quinoxalinyl)benzenesulfonamide; NSC-339004; 4-amino-N-(5-chloroquinoxalin-2-yl)benzenesulfonamide; UNII-O0408QB48D; MLS002701830; NSC339004; Benzenesulfonamide, 4-amino-N-(5-chloro-2-quinoxalinyl)-; CQS; O0408QB48D; Benzenesulfonamide,4-amino-N-(5-chloro-2-quinoxalinyl)-; SMR001565423; CCRIS 689; NSC 339004; BRN 0312075; Benzenesulfonamide, 4-amino-N-[5-chloro-2-quinoxalinyl]-; NCIMech_000335; 4-25-00-02607 (Beilstein Handbook Reference); cid_72462; SCHEMBL6375915; CHEMBL1905073; BDBM97028; DTXSID10243340; ZINC1578344; CCG-35544; DB12921; NCI60_002995; HY-106662; CS-0026291; A901225; Q27285146; 4-azanyl-N-(5-chloranylquinoxalin-2-yl)benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339004	.	.	.	.	334.8	C14H11ClN4O2S	106	476	2.3	22	2	6	3	"InChI=1S/C14H11ClN4O2S/c15-11-2-1-3-12-14(11)17-8-13(18-12)19-22(20,21)10-6-4-9(16)5-7-10/h1-8H,16H2,(H,18,19)"	C1=CC2=NC(=CN=C2C(=C1)Cl)NS(=O)(=O)C3=CC=C(C=C3)N	CTSNHMQGVWXIEG-UHFFFAOYSA-N
DG50584	Nagilactone C	72505	"Nagilactone C; 24338-53-2; NSC211500; NSC 117884; NSC 211500; CHEMBL487996; DTXSID401019971; ZINC5015081; NSC117884; dihydroxy-isopropyl-dimethyl-[ ]dione; NSC-117884; Podolactone B, 7, 8-deepoxy-8,14-didehydro-15,16-dideoxy-7-hydroxy-, (7.beta.)-; (1aR,2R,2aR,4aS,4bR,5R,9bS,9cS)-2,5-dihydroxy-2a,9b-dimethyl-6-(propan-2-yl)-1a,2,2a,4a,4b,5,9b,9c-octahydro-3H,8H-oxireno[5,6][2]benzofuro[7,1-fg]isochromene-3,8-dione; 3J2; Podolactone B, 7,8-deepoxy-8,14-didehydro-15,16-dideoxy-7-hydroxy-, (1alpha,2alpha,7beta)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	211500	.	.	.	.	362.4	C19H22O7	106	811	-0.2	26	2	7	1	"InChI=1S/C19H22O7/c1-6(2)11-9-7(5-8(20)24-11)18(3)14-12(10(9)21)26-17(23)19(14,4)15(22)13-16(18)25-13/h5-6,10,12-16,21-22H,1-4H3/t10-,12-,13-,14-,15+,16-,18-,19-/m1/s1"	CC(C)C1=C2[C@H]([C@@H]3[C@H]4[C@]([C@H]([C@@H]5[C@H]([C@@]4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C)O	DGNOPGIIPQKNHD-RSKPZANQSA-N
DG50585	Piperidinium pentamethylenedithiocarbamate	72508	"98-77-1; Piperidinium pentamethylenedithiocarbamate; Piperidine piperidine-1-carbodithioate; Accelerator 552; PMP (accelerator); Piperidine pentamethylenedithiocarbamate; Piperidinium piperidine-1-carbodithioate; NSC1906; 1-Piperidinecarbodithioic acid, compd. with piperidine (1:1); 522 Rubber accelerator; Piperidinium piperidinedithiocarbamate; UNII-7K715ND7EP; piperidine;piperidine-1-carbodithioic acid; Piperidinium pentamethylene dithiocarbamate; NSC 4712; Nocceler PPD; 7K715ND7EP; Piperidinium N,N-pentamethylenedithiocarbamate; 1-Piperidinecarbodithioic acid piperidine salt; 1-Piperidinecarbodithioic acid, piperidine salt; Piperidinecarbodithioic acid, piperidinium salt; NSC4712; Pipecolinium pipecolyldithiocarbamate; Pip-Pip; WLN: T6NTJ AYUS & SH & T6MTJ; PMP (VAN); piperidine; piperidine-1-carbodithioic acid; NSC 1906; NSC 4712; EINECS 202-698-4; AI3-03659; PMP(VAN); Maybridge3_003536; Pentamethyleneammonium pentamethylenedithiocarbamate; 1-Piperidinecarbodithioic acid, compd. with piperidine; CHEMBL1970659; DTXSID90883288; HMS1441A16; 1-Piperidinecarbodithioic acid, compound with piperidine (1:1); NSC-1906; NSC-4712; CCG-35467; AKOS025312456; 3-FLUORO-3,5-DICHLOROBIPHENYL; MCULE-9173625423; IDI1_014923; AS-77071; NCI60_001590; DB-057748; FT-0631514; P0630; SR-01000645528-1; 1-Piperidinecarbodithioic acid, piperidine salt (6CI); Q27268449"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1906	.	.	.	.	246.4	C11H22N2S2	48.4	139	.	15	2	3	0	"InChI=1S/C6H11NS2.C5H11N/c8-6(9)7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-5H2,(H,8,9);6H,1-5H2"	C1CCNCC1.C1CCN(CC1)C(=S)S	PVFZKRMYBKEXBN-UHFFFAOYSA-N
DG50586	9-Methoxyellipticine	72512	"9-Methoxyellipticine; 9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole; 10371-86-5; Methoxyelliptione; Methoxyellipticine; 9-Methoxyellipticin; ICI 180 base; Ellipticine, 9-methoxy-; AT 181; ICIG 772; NSC69187; NSC 69187; B 656501 K003; 9-Methoxy-Ellipticine; UNII-U0924292N9; 9-Methoxy-5,11-dimethyl-6H-pyrido(4,3-b)carbazole; CHEMBL19954; 6H-Pyrido[4,3-b]carbazole, 9-methoxy-5,11-dimethyl-; MLS000736760; NSC-69187; 6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-9-methoxy-; 6H-Pyrido(4,3-b)carbazole, 9-methoxy-5,11-dimethyl-; U0924292N9; B 656501K003; EINECS 233-812-0; BRN 0279742; O-Methylellipticine; 9-methoxy ellipticine; NCIMech_000308; Neuro_000029; 5-23-12-00543 (Beilstein Handbook Reference); cid_72512; ELLIPTICINE, 9-METHOXY; SCHEMBL1005968; DTXSID50146028; HMS2269C04; BDBM50174412; CCG-35479; ZINC37866067; NCGC00246863-01; NCI60_032986; SMR000528314; Q27290521; 9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole9-OCH3-E; 6H-Pyrido(4,3-b)carbazole, 9-methoxy-5,11-dimethyl- (8CI)(9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69187	.	.	.	.	276.3	C18H16N2O	37.9	387	4.8	21	1	2	1	"InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3"	CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C	BKRMCDAOAQWNTG-UHFFFAOYSA-N
DG50587	3'-Hydroxydaunorubicin	72518	"64842-75-7; 3'-Hydroxydaunorubicin; NSC 284682; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; NSC284682; CHEMBL3230211; (1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,6-dideoxy-alpha-L-lyxo-hexopyranoside; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; 5,12-Naphthacenedione, 8-acetyl-10-((2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	284682	.	.	.	.	528.5	C27H28O11	180	955	2.1	38	5	11	4	"InChI=1S/C27H28O11/c1-10-22(30)14(29)7-17(37-10)38-16-9-27(35,11(2)28)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,29-30,32,34-35H,7-9H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1"	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)O)O	QAFPIRVGDWNCDV-VGBVRHCVSA-N
DG50588	Nonactin	72519	"nonactin; 6833-84-7; Antibiotic from Actinomycete; UPJOHN 170T, high melting; Werramycin-A; UNII-TTP24WX8P7; 5342 PFW 19; A 4426; Upjohn 170t (high melting); TTP24WX8P7; CHEBI:7614; 4,13,22,31,37,38,39,40-Octaoxapentacyclo(32.2.1.1(sup 7,10).1(sup 16,19).1(sup 25,28))tetracontane-3,12,21,30-tetrone, 2,5,11,14,20,23,29,32-octamethyl-, (1R-(1R*,2R*,5R*,7R*,10S*,11S*,14S*,16S*,19R*,20R*,23R*,25R*,28S*,29S*,32S*,34S*))-; GNF-PF-1094; NSC52141; TA-25-M-I; E-79-C; NSC 52141; NSC 56409; N-329-A; Ammonium ionophore; 3584-A; A-5584; Ammonium ionophore I; 4,13,22,31,37,38,39,40-Octaoxapentacyclo(32.2.1.17,10.116,19.125,28)tetracontane-3,12,21,30-tetrone, 2,5,11,14,20,23,29,32-octamethyl- (8CI); EINECS 229-911-3; BRN 0076434; 4,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone, 2,5,11,14,20,23,29,32-octamethyl-; 4,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone, 2,5,11,14,20,23,29,32-octamethyl-, [1R-(1R*,2R*,5R*,7R*,10S*,11S*,14S*,16S*,19R*,20R*,23R*,25R*,28S*,29S*,32S*,34S*)]-; Macrotetrolide analogue; bmse000763; SCHEMBL82710; 5-19-12-00751 (Beilstein Handbook Reference); CHEMBL415914; DTXSID10218477; NSC56409; NSC-52141; NSC-56409; ZINC85552238; AKOS024457138; CCG-208315; MCULE-1711527138; 4,13,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone, 2,5,11,14,20,23,29,32-octamethyl-; NCI60_004265; B7082; SR-05000002313; Q7049170; SR-05000002313-2; (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-2,5,11,14,20,23,29,32-Octamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone; (1S,2S,5S,7S,10R,11R,14R,16R,19S,20S,23S,25S,28R,29R,32R,34R)-2,5,11,14,20,23,29,32-octamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone; 4,13,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone, 2,5,11,14,20,23,29,32-octamethyl-, [1R-(1R*,2R*,5R*,7R*,10S*,11S*,14S*,16S*,19R*,20R*,23R*,25R*,28S*,29S*,32S*,34S*)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	52141	.	.	.	.	736.9	C40H64O12	142	1040	6.6	52	0	12	0	"InChI=1S/C40H64O12/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21/h21-36H,9-20H2,1-8H3/t21-,22+,23+,24-,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-"	C[C@@H]1C[C@H]2CC[C@H](O2)[C@@H](C(=O)O[C@H](C[C@@H]3CC[C@@H](O3)[C@H](C(=O)O[C@@H](C[C@H]4CC[C@H](O4)[C@@H](C(=O)O[C@H](C[C@@H]5CC[C@@H](O5)[C@H](C(=O)O1)C)C)C)C)C)C)C	RMIXHJPMNBXMBU-QIIXEHPYSA-N
DG50589	Echinosporin	72542	"Echinosporin; XK 213; 79127-35-8; NSC357683; Antibiotic XK 213; UNII-B85B6W425C; NSC 357683; B85B6W425C; CHEBI:189178; NSC789943; XK-213; ZINC100303204; NSC-789943; 1,5-(Epoxymethano)cyclopenta(c)pyran-3-carboxamide, 1,4a,5,7a-tetrahydro-5-hydroxy-8-oxo-, (1S-(1-alpha,4a-beta,5-beta,7a-beta))-; (1S,4S,7R,8S)-4-hydroxy-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide; 1,5-(Epoxymethano)cyclopenta[c]pyran-3-carboxamide, 1,4a,5,7a-tetrahydro-5-hydroxy-8-oxo-, (1S,4aR,5S,7aS)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357683	.	.	.	.	223.18	C10H9NO5	98.8	454	-0.6	16	2	5	1	"InChI=1S/C10H9NO5/c11-7(12)6-3-5-4-1-2-10(5,14)9(13)16-8(4)15-6/h1-5,8,14H,(H2,11,12)/t4-,5+,8+,10+/m1/s1"	C1=C[C@@]2([C@@H]3[C@@H]1[C@@H](OC(=C3)C(=O)N)OC2=O)O	OXSZHYWOGQJUST-YYZSKVJKSA-N
DG50590	"5-Methoxy-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole"	72564	"71712-16-8; NSC350102; CHEMBL10703; 5-methoxy-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole; 1,3-Benzodioxole, 5-methoxy-6-(1-(4-methoxyphenyl)ethyl)-; 1,3-Benzodioxole, 5-methoxy-6-[1-(4-methoxyphenyl)ethyl]-; 5-Methoxy-6-[1-[4-methoxyphenyl]ethyl]-1,3-benzodioxole; NSC 350102; 1,3-Benzodioxole der.; Neuro_000183; Oprea1_026637; SCHEMBL7709780; BDBM50230626; NSC-350102; NCI60_003119; 1, 5-methoxy-6-[1-(4-methoxyphenyl)ethyl]-; J-2710; 1, 5-methoxy-6-[(1-(4-methoxyphenyl)ethyl]-; 1,3-Benzodioxole, 5-methoxy-6-((1-(4-methoxyphenyl)ethyl)-; (alpha-Methyl-4-methoxybenzyl)-3,4-methylenedioxy-6-methoxybenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	350102	.	.	.	.	286.32	C17H18O4	36.9	327	3.9	21	0	4	4	"InChI=1S/C17H18O4/c1-11(12-4-6-13(18-2)7-5-12)14-8-16-17(21-10-20-16)9-15(14)19-3/h4-9,11H,10H2,1-3H3"	CC(C1=CC=C(C=C1)OC)C2=CC3=C(C=C2OC)OCO3	NBIHTBVOSDHTJS-UHFFFAOYSA-N
DG50591	Redoxal	72571	"Redoxal; 52962-95-5; MLS000736810; NSC73735; 2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoic acid; UNII-Q0VK2156M5; Q0VK2156M5; SMR000528333; 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid; 2-[4-[4-(2-carboxyanilino)-3-methoxy-phenyl]-2-methoxy-anilino]benzoic acid; Benzoic acid, 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-; N,N'-BIS(o-CARBOXYPHENYL)-o-DIANISIDINE; NSC 73735; cid_72571; SCHEMBL1720516; CHEMBL1340633; BDBM50646; DTXSID90201004; HMS2852O22; KUC112424N; ZINC1699287; NSC-73735; 2,2'-((3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bisbenzoic acid; AKOS024429314; MCULE-9435664253; NCGC00246948-01; NCI60_041614; KSC-285-109-1; B 3845; Benzoic acid,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)diimino]bis-; 2-[[4-[4-[(2-carboxyphenyl)amino]-3-methoxy-phenyl]-2-methoxy-phenyl]amino]benzoic acid; 2-{[4'-(2-carboxyanilino)-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]amino}benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73735	.	.	.	.	484.5	C28H24N2O6	117	675	6.7	36	4	8	9	"InChI=1S/C28H24N2O6/c1-35-25-15-17(11-13-23(25)29-21-9-5-3-7-19(21)27(31)32)18-12-14-24(26(16-18)36-2)30-22-10-6-4-8-20(22)28(33)34/h3-16,29-30H,1-2H3,(H,31,32)(H,33,34)"	COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC3=CC=CC=C3C(=O)O)OC)NC4=CC=CC=C4C(=O)O	IQZIRNIZQHVBMB-UHFFFAOYSA-N
DG50592	7-Oxo-7H-benzo[e]perimidine-4-carboxylic acid	72574	7-Oxo-7H-benzo[e]perimidine-4-carboxylic acid; 7-Oxo-7H-benzo(e)perimidine-4-carboxylic acid; 65359-16-2; NSC84167; UNII-B1A8BPF5U8; B1A8BPF5U8; 7-oxobenzo[e]perimidine-4-carboxylic acid; MLS000077061; CHEMBL166209; SMR000008738; 7-Oxo-7h-benzo[e]perimidine-4-carboxylicacid; EINECS 265-715-4; NSC 84167; cid_72574; SCHEMBL7142147; BDBM32001; DTXSID90215686; HMS1675E21; HMS2187N08; ZINC335846; NSC-84167; STK530189; AKOS000592634; MCULE-5493142562; NCGC00033933-03; 7-oxo-4-benzo[e]perimidinecarboxylic acid; 7-ketobenzo[e]perimidine-4-carboxylic acid; DB-008915; FT-0721109; SR-01000314383; 7-oxidanylidenebenzo[e]perimidine-4-carboxylic acid; SR-01000314383-1; W-111257	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84167	.	.	.	.	276.25	C16H8N2O3	80.2	466	2.2	21	1	5	1	"InChI=1S/C16H8N2O3/c19-15-9-4-2-1-3-8(9)13-12-10(15)5-6-11(16(20)21)14(12)18-7-17-13/h1-7H,(H,20,21)"	C1=CC=C2C(=C1)C3=NC=NC4=C(C=CC(=C43)C2=O)C(=O)O	NARZOZMHJMTCGC-UHFFFAOYSA-N
DG50593	Zaluzanin C	72646	"Zaluzanin C; 16838-87-2; CHEBI:10103; NSC177851; (3AS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-tris(methylene)decahydroazuleno[4,5-b]furan-2(3H)-one; NSC 177851; CHEMBL462318; DTXSID40168557; (3aS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one; (3aS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one; C09606; Q27108584; 3beta-hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide; 3beta,6alpha-Dihydroxy-1beta-guaia-4(15),10(14),11(13)-trien-12-oic acid, gamma-lactone; (3aS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-trimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	177851	.	.	.	.	246.3	C15H18O3	46.5	462	1.3	18	1	3	0	"InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1"	C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1C[C@@H](C3=C)O)OC(=O)C2=C	XFVLNEYIZGZDHP-PEDHHIEDSA-N
DG50594	Coumarin 337	72654	"Coumarin 337; 55804-68-7; Coumarin 523; UNII-7PZP222LOZ; 7PZP222LOZ; NSC338968; 1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo-; 11-Oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbonitrile; 2,3,6,7-Tetrahydro-11-oxo-1H,5H,11H-(1)benzopyrano(6,7,8-ij)quinolizine-10-carbonitrile; 2,3,6,7-Tetrahydro-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carbonitrile; 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile; 1H,5H,11H-(1)Benzopyrano(6,7,8-ij)quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo-; EINECS 259-827-2; NSC 338968; SCHEMBL2844010; CHEMBL1998632; DTXSID4069054; ZINC395534; MFCD00051332; AKOS000813906; NSC-338968; AS-56413; NCI60_002993; CS-0358073; D89539; 804C687; 1H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo-; (2,3,6,7-tetrahydro-11-oxo-1H,5H,11H-[1]-benzopyrano[6,7,8-ij]quinolizine-10-carbonitrile)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338968	.	.	.	.	266.29	C16H14N2O2	53.3	518	2.7	20	0	4	0	"InChI=1S/C16H14N2O2/c17-9-12-8-11-7-10-3-1-5-18-6-2-4-13(14(10)18)15(11)20-16(12)19/h7-8H,1-6H2"	C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C#N)CCCN3C1	LGDDFMCJIHJNMK-UHFFFAOYSA-N
DG50595	Morpholine-N-dithiocarbamate	72675	"Morpholine-N-dithiocarbamate; 5327-10-6; NSC4114; morpholine morpholine-4-carbodithioate; Morpholinium 4-morpholinecarbodithioate; Morpholinium morpholine-N-dithiocarbamate; Morpholinium morpholine-N-dithiocarboxylate; Morpholinium-N-oxydiethylenedithiocarbamate; morpholine; morpholine-4-carbodithioic acid; CHEMBL1994109; DTXSID00201393; 4-Morpholinecarbodithioic acid, compd. with morpholine (1:1); NSC 4114; NSC-4114; CCG-35471; Morpholinium-morpholin-4-dithiocarboxylat; NCI60_003933; AI3-08278; FT-0628995; Morpholine-4-carbodithioic acid - morpholine (1:1); 4-Morpholinecarbodithioic acid, compound with morpholine (1:1); 4-Morpholinecarbodithioic acid, compd. with morpholine (1:1) (8CI)(9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4114	.	.	.	.	250.4	C9H18N2O2S2	66.8	146	.	15	2	5	0	"InChI=1S/C5H9NOS2.C4H9NO/c8-5(9)6-1-3-7-4-2-6;1-3-6-4-2-5-1/h1-4H2,(H,8,9);5H,1-4H2"	C1COCCN1.C1COCCN1C(=S)S	MQYWTQLRFOFUSI-UHFFFAOYSA-N
DG50596	Orcein	72685	"Orcein; 1400-62-0; Pacein; NSC610930; CHEBI:90290; CHEMBL1418094; 2,8-bis(2,4-dihydroxy-6-methylanilino)-1,9-dimethyldibenzofuran-3,7-dione; NSC 610930; NSC-610930; 2,8-bis(2,4-dihydroxy-6-methylanilino)-1,9-dimethyldibenzo[b,d]furan-3,7-dione; UNII-655WAW52F4; EINECS 215-750-6; C.I. Natural Red 28; NCIStruc1_000110; NCIStruc2_001941; SCHEMBL23484447; 655WAW52F4; DTXSID901014576; ZINC1611596; BDBM50525251; CCG-38289; NCGC00014927; NCI610930; 2,8-bis(2,4-dihydroxy-6-methyl-anilino)-1,9-dimethyl-dibenzofuran-3,7-dione; AKOS024348924; MCULE-4944628462; CID 5386447; NCGC00014927-02; NCGC00098027-01; 4,12-bis[(2,4-dihydroxy-6-methylphenyl)amino]-3,13-dimethyl-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1,3,6,9,12-pentaene-5,11-dione; AS-80300; NCI60_004804; 400O620; J-007349; W-201188; Q27162452; 2,4-dihydroxy-6-methylphenylamino)-1,9-dimethyldibenzo[b,d]furan-3,7-dione; 2,8-Bis((2,4-dihydroxy-6-methylphenyl)amino)-1,9-dimethyldibenzo[b,d]furan-3,7-dione; 8-(2,4-dihydroxy-6-methylanilino)-2-(2,4-dihydroxy-6-methylphenyl)imino-7-hydroxy-1,9-dimethyldibenzofuran-3-one; 885460-53-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	610930	.	.	.	.	500.5	C28H24N2O7	152	1010	3.9	37	6	9	3	"InChI=1S/C28H24N2O7/c1-11-5-15(31)7-17(33)25(11)29-27-13(3)23-21(9-19(27)35)37-22-10-20(36)28(14(4)24(22)23)30-26-12(2)6-16(32)8-18(26)34/h5-10,29,31-35H,1-4H3"	CC1=CC(=CC(=C1NC2=C(C3=C(C=C2O)OC4=CC(=O)C(=NC5=C(C=C(C=C5C)O)O)C(=C43)C)C)O)O	QFIIYGZAUXVPSZ-UHFFFAOYSA-N
DG50597	9-Hydroxyphenylfluoron	72722	"salicyl fluorone; 3569-82-2; 9-Hydroxyphenylfluoron; 2,6,7-trihydroxy-9-(2-hydroxyphenyl)xanthen-3-one; 9-HPF; MLS000737903; NSC9037; 2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3h-xanthen-3-one; NSC-9037; 3H-Xanthen-3-one, 2,6,7-trihydroxy-9-(2-hydroxyphenyl)-; SMR000528081; Salicylfluoron; Salicylfluorone; NSC 9037; CBDivE_010284; cid_72722; CHEMBL1451216; CHEMBL1939685; SCHEMBL13320834; BDBM51252; DTXSID00189203; HMS2885F24; AKOS002268859; ZINC100037549; MCULE-8950766477; NCGC00246915-01; 2,6,7-trihydroxy-9-(2-hydroxyphenyl)fluorone; 2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3-xanthenone; 9-(2-hydroxyphenyl)-2,6,7-tris(oxidanyl)xanthen-3-one; F0777-0978; 3H-Xanthen-3-one, 2,6,7-trihydroxy-9-(2-hydroxyphenyl)-, (15alpha)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9037	.	.	.	.	336.3	C19H12O6	107	675	2.1	25	4	6	1	"InChI=1S/C19H12O6/c20-12-4-2-1-3-9(12)19-10-5-13(21)15(23)7-17(10)25-18-8-16(24)14(22)6-11(18)19/h1-8,20-23H"	C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O)O	GRWQEXZZWRVXDZ-UHFFFAOYSA-N
DG50598	Alantolactone	72724	"Alantolactone; helenine; helenin; Eupatal; 546-43-0; Alant camphor; Inula camphor; Elecampane camphor; UNII-M7GSN5Q1M6; CHEBI:2540; AI3-31147; NSC93131; M7GSN5Q1M6; CHEMBL136356; (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one; NSC 93131; Alantic anhydride; (+)-Alantolactone; (3aR,5S,8aR,9aR)-5,8a-Dimethyl-3-methylene-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one; EINECS 208-899-3; NSC 302289; Alantcamphor; Spectrum_000297; Spectrum2_000297; Spectrum3_001358; Spectrum4_001772; Spectrum5_000383; Epitope ID:119691; BSPBio_003175; KBioGR_002284; KBioSS_000777; SPECTRUM310010; SCHEMBL155169; SPBio_000234; KBio2_000777; KBio2_003345; KBio2_005913; KBio3_002395; DTXSID90877864; Alantolactone, >=98% (HPLC); (3aR,5S,8aR,9aR)-3a,5,6,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one; HY-N0038; ZINC3881905; BDBM50096873; CCG-39639; NSC-93131; s8318; AKOS015906135; CS-3595; LMPR0103190013; SDCCGMLS-0066583.P001; NCGC00178225-01; NCGC00178225-02; NCGC00178225-05; (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f]benzofuran-2-one; (3AR-(3aalpha,5beta,8abeta,9aalpha))-3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylenenaphtho(2,3-b)furan-2(3H)-one; AC-31414; BS-17042; Naphtho(2,3-b)furan-2(3H)-one, 3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-, (3aR-(3a alpha,5beta,8a beta,9a alpha))-; NCI60_042073; N2660; C09289; Q21099633; 4.alpha.H-Eudesma-5, 8.beta.-hydroxy-, .gamma.-lactone; 4alphaH-Eudesma-5,11(13)-dien-12-oic acid, 8beta-hydroxy-, gamma-lactone (8CI); Naphtho[2, 3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-, [3aR-(3a.alpha.,5.beta.,8a.beta.,9a.alpha.)]-; Naphtho[2,3-b]furan-2(3H)-one, 3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-, (3aR,5S,8aR,9aR)-; Naphtho[2,3-b]furan-2(3H)-one,3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-,(3aR,5S,8aR,9aR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93131	.	.	.	.	232.32	C15H20O2	26.3	421	3.7	17	0	2	0	"InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1"	C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)C3=C)C	PXOYOCNNSUAQNS-AGNJHWRGSA-N
DG50599	2-Amino-3H-phenoxazin-3-one	72725	"2-Amino-3H-phenoxazin-3-one; Questiomycin A; 2-Aminophenoxazin-3-one; 1916-59-2; 3-Aminophenoxazone; 2-Aminophenoxazon; 2-Aminophenoxazone; 2-Amino-3-phenoxazone; 3H-Phenoxazin-3-one, 2-amino-; Isophenoxazine; 2-amino-phenoxazin-3-one; NSC 94945; MLS000736964; 2-aminophenoxazine-3-one; CHEBI:17293; SMR000528446; BRN 0014215; Questinomycine A; AV toxin C; 2-Aminophenoxazinone; Phx-3 cpd; Phx-3; 2-amino-3-phenoxazinone; 2-azanylphenoxazin-3-one; Acrospermum viticola toxin C; NCIOpen2_006212; 4-27-00-05519 (Beilstein Handbook Reference); cid_72725; CHEMBL146710; SCHEMBL2609261; 3H-Phenoxazin-3-one,2-amino-; BDBM76155; DTXSID60172691; HMS2270F19; BAA91659; NSC94945; ZINC4095812; MFCD00207317; NSC-94945; 2-acetylamino-(3h)-phenoxazin-3-one; AKOS027339724; NCGC00246903-01; AS-47041; C02161; F11662; J-012388; BRD-K66640612-001-05-8; Q15424786"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	94945	.	.	.	.	212.2	C12H8N2O2	64.7	434	1	16	1	4	0	"InChI=1S/C12H8N2O2/c13-7-5-9-12(6-10(7)15)16-11-4-2-1-3-8(11)14-9/h1-6H,13H2"	C1=CC=C2C(=C1)N=C3C=C(C(=O)C=C3O2)N	RDJXPXHQENRCNG-UHFFFAOYSA-N
DG50600	Dermocybin	72742	"Dermocybin; DERMOCYLIN; 7229-69-8; NSC257450; UNII-262A24QZT8; CHEMBL1973073; 1,3,4,5-tetrahydroxy-2-methoxy-7-methylanthracene-9,10-dione; 262A24QZT8; Anthraquinone, 1,3,4,5-tetrahydroxy-2-methoxy-7-methyl-; NSC 257450; SCHEMBL10908267; DTXSID60222620; 1,3,4,5-Tetrahydroxy-2-methoxy-7-methyl-9,10-anthracenedione; 9,10-Anthracenedione, 1,3,4,5-tetrahydroxy-2-methoxy-7-methyl-; ZINC5412537; BDBM50174550; NSC-257450; NCI60_002067; 9, 1,3,4,5-tetrahydroxy-2-methoxy-7-methyl-; WLN: L C666 BV IVJ DQ EO1 FQ GQ KQ M1; Anthraquinone,3,4,5-tetrahydroxy-2-methoxy-7-methyl-; 3-methyl-1,5,7,8-tetrahydroxy-6-methoxy-anthraquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	257450	.	.	.	.	316.26	C16H12O7	124	507	2.9	23	4	7	1	"InChI=1S/C16H12O7/c1-5-3-6-8(7(17)4-5)12(19)10-9(11(6)18)14(21)16(23-2)15(22)13(10)20/h3-4,17,20-22H,1-2H3"	CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)OC)O	WZDHOIZUFUBGHK-UHFFFAOYSA-N
DG50601	"9,10-Anthracenedione, 1,4-bis((3-((2-hydroxyethyl)amino)propyl)amino)-"	72743	"65271-79-6; NSC278467; UNII-473QE2FF2G; 473QE2FF2G; NSC-278467; 9,10-Anthracenedione, 1,4-bis((3-((2-hydroxyethyl)amino)propyl)amino)-; 1,4-Bis({3-[(2-hydroxyethyl)amino]propyl}amino)anthra-9,10-quinone; NSC 278467; CHEMBL117522; SCHEMBL15277979; DTXSID40215595; ZINC5374358; 1,4-bis[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione; 1,4-Bis((3-((2-hydroxyethyl)amino)propyl)amino)-9,10-anthracenedione; NCI60_002266; 9, 1,4-bis[[3-[(2-hydroxyethyl)amino]propyl]amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	278467	.	.	.	.	440.5	C24H32N4O4	123	540	2.4	32	6	8	14	"InChI=1S/C24H32N4O4/c29-15-13-25-9-3-11-27-19-7-8-20(28-12-4-10-26-14-16-30)22-21(19)23(31)17-5-1-2-6-18(17)24(22)32/h1-2,5-8,25-30H,3-4,9-16H2"	C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCCNCCO)NCCCNCCO	SIDWSIHMDVGHMD-UHFFFAOYSA-N
DG50602	"3,6-Acridinediamine, 2,7,9-trimethyl-, monohydrochloride"	72769	"C.I. Basic Yellow 9; Euchrysin; Euchrysine RRX; Euchrysine GGNX; Phosphine GRNA; Phosphine GRNTN; Basic Yellow HG; 4215-95-6; Chrysophosphine 2G; Leather Yellow HG; 3,6-Acridinediamine, 2,7,9-trimethyl-, monohydrochloride; 2,7,9-Trimethylacridine-3,6-diamine monohydrochloride; C.I. 46040; 2,7,9-trimethylacridine-3,6-diamine;hydrochloride; 3,6-Acridinediamine, 2,7,9-trimethyl-, hydrochloride (1:1); SP 15 Lemon Yellow; Euchryeine; Basic yellow 9; EINECS 224-148-2; NSC 115905; 2,7,9-trimethylacridine-3,6-diamine hydrochloride; DTXSID1063358; NSC115905; NSC-115905; 3, 2,7,9-trimethyl-, monohydrochloride; BASIC YELLOW 9 (PHOSPHINE GRNA C.I. 46040); Acridine,6-diamino-2,7,9-trimethyl-, monohydrochloride; Acridine, 3,6-diamino-2,7,9-trimethyl-, monohydrochloride (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115905	.	.	.	.	287.79	C16H18ClN3	64.9	302	.	20	3	3	0	"InChI=1S/C16H17N3.ClH/c1-8-4-11-10(3)12-5-9(2)14(18)7-16(12)19-15(11)6-13(8)17;/h4-7H,17-18H2,1-3H3;1H"	CC1=CC2=C(C3=C(C=C(C(=C3)C)N)N=C2C=C1N)C.Cl	NOFPXGWBWIPSHI-UHFFFAOYSA-N
DG50603	"5-Methyl-1,10-phenanthroline"	72791	"5-Methyl-1,10-phenanthroline; 3002-78-6; 1,10-Phenanthroline, 5-methyl-; 5-Methylphenanthroline; CHEMBL98682; 5-Methyl-1,10-phenanthroline Hydrate [for Colorimetric Determination of Iron]; NSC 4272; EINECS 221-099-9; MFCD00004982; SCHEMBL371564; DTXSID4062771; 5-Methyl-[1,10]phenanthroline; UJAQYOZROIFQHO-UHFFFAOYSA-; NSC4272; ZINC120047; NSC-4272; BDBM50401345; AKOS015899630; CS-W004552; MCULE-2835878219; 5-Methyl-1,10-phenanthroline, >=99%; AC-29167; AS-59411; DB-050453; FT-0620583; M0300; A846127; 2-BROMO-5-(2,5-DIMETHYL)PYRROLIDYLPYRIDINE; J-200078; iron(+2) cation; 5-methyl-1,10-phenanthroline; sulfate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4272	.	.	.	.	194.23	C13H10N2	25.8	229	2.8	15	0	2	0	"InChI=1S/C13H10N2/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13/h2-8H,1H3"	CC1=CC2=C(C3=C1C=CC=N3)N=CC=C2	UJAQYOZROIFQHO-UHFFFAOYSA-N
DG50604	"4,7-Dimethyl-1,10-phenanthroline"	72792	"4,7-Dimethyl-1,10-phenanthroline; 3248-05-3; 4,7-Dimethyl-o-phenanthroline; 1,10-Phenanthroline, 4,7-dimethyl-; 4,7-DIMETHYL-[1,10]PHENANTHROLINE; UNII-P3YJ54Z8ZO; P3YJ54Z8ZO; CHEMBL593442; MFCD00004979; Oprea1_825186; SCHEMBL182930; DTXSID9062932; NSC4281; ZINC120461; 5-Fluoro-l-(2-furanidinyl)-4-(trimethylsilyloxy)-2-pyrimidone; ALBB-023379; NSC 4281; NSC-4281; EINECS 221-827-5; BDBM50401348; AKOS003369115; CS-W004562; DB02586; DS-2431; NCGC00247283-01; SY037737; DB-050425; D0772; FT-0634746; 4,7-dimethy-1,10-phenathroline(monohydrate); 1,10-phenanthroline, 4,7-dimethyl-, hydrate; C74659; 248D053; Q27093559"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4281	.	.	.	.	208.26	C14H12N2	25.8	227	3.2	16	0	2	0	"InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3"	CC1=C2C=CC3=C(C=CN=C3C2=NC=C1)C	JIVLDFFWTQYGSR-UHFFFAOYSA-N
DG50605	"1H-1,2,4-Benzotriazepine-3-carboxamide, 4,5-dihydro-5-oxo-4-phenyl-"	72802	"63931-90-8; UNII-9LC3489KIW; 9LC3489KIW; 1H-1,2,4-Benzotriazepine-3-carboxamide, 4,5-dihydro-5-oxo-4-phenyl-; NSC 307500; BRN 0674496; NSC307500; 4,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide; CHEMBL1972487; DTXSID40213753; ZINC1568652; 1H-1,2,4-Benzotriazepine-3-carboxamide,4,5-dihydro-5-oxo-4-phenyl-; NSC-307500; NCI60_002630; DS-002854"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	307500	.	.	.	.	280.28	C15H12N4O2	87.8	457	2.1	21	2	4	2	"InChI=1S/C15H12N4O2/c16-13(20)14-18-17-12-9-5-4-8-11(12)15(21)19(14)10-6-2-1-3-7-10/h1-9,17H,(H2,16,20)"	C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NN=C2C(=O)N	SYLXSYKPLOSTDX-UHFFFAOYSA-N
DG50606	"1,10-Phenanthroline-5,6-dione"	72810	"1,10-Phenanthroline-5,6-dione; 27318-90-7; [1,10]Phenanthroline-5,6-dione; UNII-8JD7KXA2W0; 8JD7KXA2W0; MLS003171048; LDN-73794; MFCD00014473; Phen-5,6-dione; 1,10-Pad; Stahl phd oxidant; NSC346882; NSC 346882; 1 10-PHENANTHROLINE-5 6-DIONE; cid_72810; SCHEMBL460433; CHEMBL235504; BDBM22860; GTPL11323; AMY7204; DTXSID60181763; 1,2-Dione-Based Compound, 17; BCP22583; CS-D0379; ZINC1580384; STK681092; AKOS005068282; AC-7578; GS-4495; LS40062; MCULE-6208792454; NSC-346882; 1,10-Phenanthroline-5,6-dione, 97%; SMR001874957; SY019736; T5-8; DB-005603; 5,6-dihydro-1=10-phenantroline-5,6-dione; C3352; FT-0600329; P1973; W5042; 5,6-dihydro-1,10-phenanthroline-5,6-dione; 1 10-PHENANTHROLINE-5 6-DIONE  97; 318P907; A819012; SR-01000899541; J-400086; SR-01000899541-2; Fmoc-(R)-3-Amino-3-(4-cyano-phenyl)-propionicacid; [1,10]Phenanthroline-5,6-dione ; 1,10-Phenanthroline-5,6-quinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	346882	.	.	.	.	210.19	C12H6N2O2	59.9	297	0.5	16	0	4	0	InChI=1S/C12H6N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6H	C1=CC2=C(C3=C(C=CC=N3)C(=O)C2=O)N=C1	KCALAFIVPCAXJI-UHFFFAOYSA-N
DG50607	"4,7-Diphenyl-1,10-phenanthroline"	72812	"Bathophenanthroline; 4,7-Diphenyl-1,10-phenanthroline; 1662-01-7; 1,10-Phenanthroline, 4,7-diphenyl-; BPhen; 1,10-Bathophenanthroline; Bathophenanthrolin; MFCD00004976; NSC 637659; UNII-4A2B091F0G; 4,7-Diphenyl-1,10-diazaphenanthrene; GNF-Pf-4554; CHEBI:77995; 4A2B091F0G; NSC637659; 4,7-Diphenyl-1,10-phenanthroline;4,7-Diphenyl-1,10-phenanthroline; Bathophenanthrolin [German]; 4,7-Diphenyl-1,10-phenanthroline, 98.5%; EINECS 216-767-1; BRN 0261048; CCRIS 9382; EINECS 269-684-8; Cyto4A11; Bathophenanthroline, 97%; Bathophenanthroline, 99%; 4,7-diphenyl-phenanthroline; SCHEMBL28868; YSWG753; 5-23-10-00274 (Beilstein Handbook Reference); BIDD:GT0407; 4,7-Diphenyl-o-phenanthroline; CHEMBL583162; DTXSID7061857; QCR-265; BCP11187; HY-D0006; ZINC1625284; 4,7-Diphenyl-1,10-phenanthroline, nickel complex, tetrafluoroborate; BBL103744; STL557554; AKOS015895314; 4, 7-Diphenyl-1, 10-phenanthroline; AM62649; CS-6274; MCULE-2261797567; NSC-637659; 68309-97-7; AS-13730; L608; NCI60_012508; Nickel(2+), tris(4,7-diphenyl-1,10-phenanthroline-kappaN1,kappaN10)-, (OC-6-11)-, bis(tetrafluoroborate(1-)); Nickel(2+), tris(4,7-diphenyl-1,10-phenanthroline-kappaN1,kappaN10)-, (OC-6-11)-, tetrafluoroborate(1-) (1:2); SY007928; B2695; Bathophenanthroline (purified by sublimation); D0905; FT-0600613; B-0400; F16258; J10196; A810705; J-610041; Q27147578; 4,7-Diphenyl-1,10-phenanthroline, >/=99.9%(HPLC); 1,10-Phenanthroline, 4,7-diphenyl- (6CI,7CI,8CI,9CI); Bathophenanthroline, for spectrophotometric det. of Fe in serum, >=99.0%; Tris(4,7-diphenyl-1,10-phenanthroline-N1,N10)nickel(2+) bis(tetrafluoroborate(1-))"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637659	.	.	.	.	332.4	C24H16N2	25.8	409	5.7	26	0	2	2	InChI=1S/C24H16N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-16H	C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5	DHDHJYNTEFLIHY-UHFFFAOYSA-N
DG50608	"4,5-Dichloro-2-phenylpyridazin-3-one"	72813	"1698-53-9; 4,5-dichloro-2-phenylpyridazin-3(2H)-one; 1-Phenyl-4,5-dichloro-6-pyridazone; 4,5-Dichloro-2-phenylpyridazin-3-one; 3(2H)-Pyridazinone, 4,5-dichloro-2-phenyl-; 2-Phenyl-4,5-dichloro-3-pyridazinone; 4,5-Dichloro-2,3-dihydro-2-phenylpyridazin-3-one; 4,5-Dichloro-2-phenyl-3(2H)-pyridazinone; 1-Fenyl-4,5-dichlor-6-pyridazinon; 1-Phenyl-4,5-dichloro-5-pyridazone; NSC224369; NSC642642; 3(2H)-Pyridazinone,5-dichloro-2-phenyl-; EINECS 216-917-6; ChemDiv2_002909; NSC 224369; NSC 642642; BRN 0175852; AI3-18651; 1-Fenyl-4,5-dichlor-6-pyridazinon [Czech]; 4,5-dichloro-2-phenyl-2,3-dihydropyridazin-3-one; pyridazinone, 2-42; 4,5-Dichloro-2-phenyl-pyridazin-3-one; 3(2H)-Pyridazinone,4,5-dichloro-2-phenyl-; 5-24-02-00024 (Beilstein Handbook Reference); cid_72813; MLS000332063; CHEMBL610198; SCHEMBL1461789; BDBM33355; WLN: T6NNVJ BR& DG EG; DTXSID60168751; HMS1377E05; HMS2612K09; HMS3438D08; ZINC119689; 4,5-Dichloro-2-phenyl-pyridazinone; MFCD00006470; STK350677; 4,5-dichloro-1-phenylpyridaz-6-one; AKOS000313144; 1-phenyl-4,5-dichloropyridazin-6-one; 5M-603S; CCG-129262; MCULE-8609368943; NSC-224369; NSC-642642; QC-1630; NCGC00246299-01; AC-27715; NCI60_001850; NCI60_014437; SMR000221555; 4,5-Dichlor-2-phenyl-3(2H)-pyridazinon; 2-phenyl-4,5-dichloro-3(2H)-pyridazinone; DB-027445; 4,5-Dichloro-1-phenylpyridazin-6(1H)-one; 4,5-Dichloro-2-phenyl-2H-pyridazin-3-one; CS-0128769; FT-0617168; 1-Phenyl-4,5-dichloro-6-pyridazone, >=99%; 2(2H)-Pyridazinone, 4,5-dichloro-2-phenyl-; 4,5-Dichloro-2-phenyl-3(2H)-pyridazinone #; D71015; A811147; AC-907/34127045; SR-01000403864; J-640178; J-800179; SR-01000403864-1; W-109120; 4,5-dichloro-2-cyclohexa-1,3-dien-1-yl-pyridazin-3-one;4,5-Dichloro-2-phenylpyridazin-3(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	224369	.	.	.	.	241.07	C10H6Cl2N2O	32.7	332	2.1	15	0	2	1	InChI=1S/C10H6Cl2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H	C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)Cl	VKWCOHVAHQOJGU-UHFFFAOYSA-N
DG50609	"5,6,7,8,3',4',5'-Heptamethoxyflavone"	72815	"5,6,7,8,3',4',5'-heptamethoxyflavone; 6965-36-2; 5'-Methoxynobiletin; 5,6,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one; NSC67580; UNII-FE42EJY6FF; FE42EJY6FF; CHEBI:79477; NSC-67580; 2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)-; 5,6,7,8-Tetramethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one; NSC 67580; NCIMech_000172; CHEMBL310982; SCHEMBL6839166; DTXSID10219909; ZINC1694496; CCG-35323; LMPK12111494; 5,6,7,8-Tetramethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one; NCI60_026742; 3',4',5,5',6,7,8-Heptamethoxyflavone; 5 inverted exclamation mark -Methoxynobiletin; Q27148553"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67580	.	.	.	.	432.4	C22H24O9	90.9	625	3	31	0	9	8	"InChI=1S/C22H24O9/c1-24-14-8-11(9-15(25-2)17(14)26-3)13-10-12(23)16-18(27-4)20(28-5)22(30-7)21(29-6)19(16)31-13/h8-10H,1-7H3"	COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC	UAELIRBOLQZEAT-UHFFFAOYSA-N
DG50610	"2H-Pyrano[3,2-g]quinolin-2-one, 9-ethyl-6,7,8,9-tetrahydro-4-(trifluoromethyl)-"	72818	"Coumarin 355; 68975-49-5; UNII-6HJM43VZ3W; 6HJM43VZ3W; NSC338969; 2H-Pyrano[3,2-g]quinolin-2-one, 9-ethyl-6,7,8,9-tetrahydro-4-(trifluoromethyl)-; 2H-Pyrano(3,2-g)quinolin-2-one, 9-ethyl-6,7,8,9-tetrahydro-4-(trifluoromethyl)-; 9-Ethyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinolin-2-one; NSC 338969; CHEMBL1986007; DTXSID2071948; ZINC1578335; 9-ethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-one; NSC-338969; 9-Ethyl-6,7,8,9-tetrahydro-4-(trifluoromethyl)-2H-pyrano(3,2-g)quinolin-2-one; NCI60_002994; DS-002715; 2H-Pyrano[3, 9-ethyl-6,7,8,9-tetrahydro-4-(trifluoromethyl)-; 9-Ethyl-6,8,9-tetrahydro-4-(trifluoromethyl)-2H-pyrano(3,2-g)quinolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338969	.	.	.	.	297.27	C15H14F3NO2	29.5	460	3.2	21	0	6	1	"InChI=1S/C15H14F3NO2/c1-2-19-5-3-4-9-6-10-11(15(16,17)18)7-14(20)21-13(10)8-12(9)19/h6-8H,2-5H2,1H3"	CCN1CCCC2=CC3=C(C=C21)OC(=O)C=C3C(F)(F)F	FNGKJWDTEBDTNX-UHFFFAOYSA-N
DG50611	"9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(1-piperidinyl)ethyl]amino]-"	72827	"16140-27-5; SW 6; 9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(1-piperidinyl)ethyl]amino]-; SW-6; UNII-ZOE3WN5620; MLS002702047; NSC166366; 4-(hydroxymethyl)-1-(2-piperidin-1-ylethylamino)thioxanthen-9-one; ZOE3WN5620; 4-(Hydroxymethyl)-1-((2-(1-piperidinyl)ethyl)amino)-9H-thioxanthen-9-one; NSC-166366; SMR001565619; Thioxanthen-9-one, 4-(hydroxymethyl)-1-((2-piperidinoethyl)amino)-; 9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-((2-(1-piperidinyl)ethyl)amino)-; NSC 166366; BRN 1404994; Thioxanthen-9-one, 4-(hydroxymethyl)-1-[(2-piperidinoethyl)amino]-; 4-(hydroxymethyl)-1-{[2-(piperidin-1-yl)ethyl]amino}-9H-thioxanthen-9-one; 4-(Hydroxymethyl)-1-((2-(piperidin-1-yl)ethyl)amino)-9H-thioxanthen-9-one; NCIStruc1_001519; NCIStruc2_001927; cid_72827; CHEMBL1437648; BDBM89486; DTXSID00167147; ZINC3954467; CCG-36952; NCGC00014469; NCI166366; AKOS037647275; NCGC00014469-02; NCGC00097574-01; AS-73124; NCI60_001293; CS-0360172; D92906; Q27295825; 4-methylol-1-(2-piperidinoethylamino)thioxanthen-9-one; 4-(hydroxymethyl)-1-[2-(1-piperidinyl)ethylamino]-9-thioxanthenone; 4-(HYDROXYMETHYL)-1-{[2-(PIPERIDIN-1-YL)ETHYL]AMINO-9H-THIOXANTHEN-9-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166366	.	.	.	.	368.5	C21H24N2O2S	77.9	483	2.8	26	2	5	5	"InChI=1S/C21H24N2O2S/c24-14-15-8-9-17(22-10-13-23-11-4-1-5-12-23)19-20(25)16-6-2-3-7-18(16)26-21(15)19/h2-3,6-9,22,24H,1,4-5,10-14H2"	C1CCN(CC1)CCNC2=C3C(=C(C=C2)CO)SC4=CC=CC=C4C3=O	WKUYEBVLTZDQDV-UHFFFAOYSA-N
DG50612	Cyclopentenyl cytosine	72828	"cyclopentenyl cytosine; Cyclopentenylcytosine; 90597-22-1; NSC-375575; UNII-69MO0NDN8K; 4-amino-1-[(1R,4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one; NSC375575; 69MO0NDN8K; CHEMBL63647; cCyd; CPE-C; 2(1H)-Pyrimidinone, 4-amino-1-((1R,4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl)-; 1-((1R,2S,3R)-4-Hydroxymethyl-2,3-dihydroxy-4-cyclopenten-1-yl)cytosine; BRN 4258358; CCRIS 1771; Ce-Cyd; 2(1H)-Pyrimidinone, 4-amino-1-[(1R,4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl]-; SCHEMBL10392960; DTXSID70238212; BDBM50421707; 2(1H)-Pyrimidinone, 4-amino-1-(4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl)-, (1R-(1-alpha,4-beta,5-beta))-; NCI60_003528; Q27264364; 2(1H)-Pyrimidinone,5-dihydroxy- 3-(hydroxymethyl)-2-cyclopenten-1-yl]-; 4-Amino-1-((1R,4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl)pyrimidin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	375575	.	.	.	.	239.23	C10H13N3O4	119	429	-2.4	17	4	4	2	"InChI=1S/C10H13N3O4/c11-7-1-2-13(10(17)12-7)6-3-5(4-14)8(15)9(6)16/h1-3,6,8-9,14-16H,4H2,(H2,11,12,17)/t6-,8-,9+/m1/s1"	C1=CN(C(=O)N=C1N)[C@@H]2C=C([C@H]([C@H]2O)O)CO	DUJGMZAICVPCBJ-VDAHYXPESA-N
DG50613	"4-Amino-1,2-naphthoquinone"	72908	"4-Amino-1,2-naphthoquinone; 4-aminonaphthalene-1,2-dione; 5460-35-5; NSC25028; UNII-R2URY17RR2; R2URY17RR2; CHEMBL60824; 4-Amino-[1,2]naphthoquinone; MLS002639035; CCRIS 6673; 1,2-Naphthalenedione,4-amino-; NSC 25028; cid_72908; SCHEMBL422308; 1,2-Naphthoquinone, 4-amino-; DTXSID60203035; 1,2-Naphthalenedione, 4-amino-; 4-Amino-1,2-naphthalenedione #; HMS3093P17; BDBM50115723; NSC-25028; AKOS006228888; ZINC100314659; SMR001548489; 1, 4-amino- (6CI, 7CI, 8CI); FT-0692400; 2-hydroxy-4-imino-1,4-dihydronaphthalen-1-one; 1,2-Naphthalenedione, 4-(2,2-dimethylhydrazino)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	25028	.	.	.	.	173.17	C10H7NO2	60.2	293	0.5	13	1	3	0	"InChI=1S/C10H7NO2/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5H,11H2"	C1=CC=C2C(=C1)C(=CC(=O)C2=O)N	IGONFFFOEMASIA-UHFFFAOYSA-N
DG50614	Viscosin	72937	"Viscosin; 27127-62-4; UNII-085QZ2A9M9; 085QZ2A9M9; (4R)-5-[[(3S,6R,9S,12R,15S,18R,21R,22R)-3-[(2S)-butan-2-yl]-6,12-bis(hydroxymethyl)-22-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-18-propan-2-yl-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]amino]-4-[[(2S)-2-[[(3R)-3-hydroxydecanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid; NSC628866; (4R)-5-[[(3S,6R,9S,12R,15S,18R,21R,22R)-6,12-bis(hydroxymethyl)-9,15-diisobutyl-18-isopropyl-22-methyl-3-[(1S)-1-methylpropyl]-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]amino]-4-[[(2S)-2-[[(3R)-3-hydroxydecanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoic acid; CHEMBL4059769; DTXSID40181589; Q27236372; N-[N-[N-[N-[N-[N-[N-[N-[N-[(R)-3-Hydroxy-1-oxodecyl]-L-leucyl]-D-.alpha.-glutamyl]-D-allothreonyl]-D-valyl]-L-leucyl]-D-seryl]-L-leucyl]-D-seryl]-L-isoleucine .upsilon.-lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628866	.	.	.	.	1126.4	C54H95N9O16	386	2020	5.1	79	13	16	27	"InChI=1S/C54H95N9O16/c1-13-15-16-17-18-19-34(66)25-41(67)55-36(22-28(3)4)47(71)56-35(20-21-42(68)69)46(70)63-45-33(12)79-54(78)44(32(11)14-2)62-51(75)40(27-65)60-48(72)37(23-29(5)6)57-50(74)39(26-64)59-49(73)38(24-30(7)8)58-52(76)43(31(9)10)61-53(45)77/h28-40,43-45,64-66H,13-27H2,1-12H3,(H,55,67)(H,56,71)(H,57,74)(H,58,76)(H,59,73)(H,60,72)(H,61,77)(H,62,75)(H,63,70)(H,68,69)/t32-,33+,34+,35+,36-,37-,38-,39+,40+,43+,44-,45+/m0/s1"	CCCCCCC[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C(C)C)CC(C)C)CO)CC(C)C)CO)[C@@H](C)CC)C)O	QYEWAEAWMXRMHB-YFTUCIGFSA-N
DG50615	Methylene violet	73024	"Methylene violet; 2516-05-4; 7-(dimethylamino)phenothiazin-3-one; Dimethylthionoline; 7-(Dimethylamino)-3H-phenothiazin-3-one; 3H-Phenothiazin-3-one, 7-(dimethylamino)-; MLS003106970; UNII-Y3G6PD8NRB; Y3G6PD8NRB; CI 52041; Methylene Violet (Bernthsen); Methylene violet (biological stain); SMR001490544; Methylenviolett; 7-dimethylaminophenothiazin-3-one; Methylene violet Bernthsen; cid_73024; SCHEMBL343918; CHEMBL1713097; DTXSID9062481; SCHEMBL18913618; BDBM81275; ZINC3861522; 7-(dimethylamino)-3-phenothiazinone; EINECS 219-733-4; 6182AF; MFCD00005064; NSC187694; AKOS024282915; MCULE-3271797189; NSC 187694; NSC-187694; J-015843; Q27294218; Methylene Violet (Bernthsen), certified by the Biological Stain Commission, Dye content >=65 %"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	187694	.	.	.	.	256.32	C14H12N2OS	58	464	2.1	18	0	4	1	"InChI=1S/C14H12N2OS/c1-16(2)9-3-5-11-13(7-9)18-14-8-10(17)4-6-12(14)15-11/h3-8H,1-2H3"	CN(C)C1=CC2=C(C=C1)N=C3C=CC(=O)C=C3S2	ALJHHTHBYJROOG-UHFFFAOYSA-N
DG50616	"Ergosta-2,24-dien-26-oic acid, 4,27-bis(acetyloxy)-5,6-epoxy-22-hydroxy-1-oxo-, delta-lactone, (4beta,5beta,6beta,22R)-"	73056	"Withaferin A diacetate; WITHAFERIN-A DIACETATE; 22848-79-9; NSC328416; NSC 328416; Ergosta-2,24-dien-26-oic acid, 4,27-bis(acetyloxy)-5,6-epoxy-22-hydroxy-1-oxo-, delta-lactone, (4beta,5beta,6beta,22R)-; [(2S)-2-[(1S)-1-(acetoxy-dimethyl-oxo-[ ]yl)ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methyl acetate; Cyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one, 4-(acetyloxy)-9-[(1S)-1-[(2S)-5-[(acetyloxy)methyl]-3,6-dihydro-4-methyl-6-oxo-2H-pyran-2-yl]ethyl]-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydro-9a,11b-dimethyl-, (4S,4aS,5aR,6aS,6bS,9R,9aS,11aS,11bR..."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328416	.	.	.	.	554.7	C32H42O8	109	1220	4.4	40	0	8	7	"InChI=1S/C32H42O8/c1-16-13-25(39-29(36)21(16)15-37-18(3)33)17(2)22-7-8-23-20-14-28-32(40-28)27(38-19(4)34)10-9-26(35)31(32,6)24(20)11-12-30(22,23)5/h9-10,17,20,22-25,27-28H,7-8,11-15H2,1-6H3/t17-,20-,22+,23-,24-,25-,27-,28+,30+,31-,32+/m0/s1"	CC1=C(C(=O)O[C@@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6OC(=O)C)C)O5)C)COC(=O)C	KKWMXUXYPBDQQX-GCFZBUCOSA-N
DG50617	Lycoricidine	73065	"LYCORICIDINE; 19622-83-4; NSC 349155; CHEBI:6600; 7-Deoxynarciclasine; NSC349155; (2S,3R,4S,4aR)-2,3,4-trihydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one; 7-Deoxy-narciclasine; CHEMBL487798; SCHEMBL13271851; YYDLFVZOIDOGSO-KKBFJBPOSA-; DTXSID10173299; (1,3)Dioxolo(4,5-j)phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4-trihydroxy-, (2S-(2alpha,3beta,4beta,4abeta))-; C08531; Q27107264; [1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4-trihydroxy-, (2S,3R,4S,4aR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	349155	.	.	.	.	291.26	C14H13NO6	108	494	-1.4	21	4	6	0	"InChI=1S/C14H13NO6/c16-8-1-6-5-2-9-10(21-4-20-9)3-7(5)14(19)15-11(6)13(18)12(8)17/h1-3,8,11-13,16-18H,4H2,(H,15,19)/t8-,11+,12+,13-/m0/s1"	C1OC2=C(O1)C=C3C(=C2)C4=C[C@@H]([C@H]([C@H]([C@@H]4NC3=O)O)O)O	YYDLFVZOIDOGSO-KKBFJBPOSA-N
DG50618	Skyrin	73071	"Skyrin; 602-06-2; UNII-VLA1F42GXP; VLA1F42GXP; CHEMBL472851; 2,4,5-trihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione; NSC361128; (R)-2,2',4,4',5,5'-Hexahydroxy-7,7'-dimethyl-[1,1'-bianthracene]-9,9',10,10'-tetraone; C30H18O10; 131233-49-3; CCRIS 4401; NSC 361128; Endothianin; Rhodophyscin; 1,1'-Bisemodin; (-)-R-skyrin; (+)-S-Skyrin; SCHEMBL2665352; DTXSID00208943; CHEBI:144311; ZINC5520028; BDBM50388868; BS-1239; NSC-361128; (1,1'-Bianthracene)-9,9',10,10'-tetrone, 2,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl-, (S)-; NCI60_003292; Q27291883; (-)-2,2',4,4',5,5'-Hexahydroxy-7,7'-dimethyl-1,1'-bianthraquinone; 1,1'-Bi[anthryl-9,10-dione], 2,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl-; 2,2',4,4',5,5'-Hexahydroxy-7,7'-dimethyl-[1,1'-bianthracene]-9,9',10,10'-tetraone; (S)-2,2',4,4',5,5'-Hexahydroxy-7,7'-dimethyl-[1,1'-bianthracene]-9,9',10,10'-tetraone; [1,1'-Bianthracene]-9,9',10,10'-tetrone, 2,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl-, (1S); 35144-94-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361128	.	.	.	.	538.5	C30H18O10	190	1010	5.1	40	6	10	1	"InChI=1S/C30H18O10/c1-9-3-11-19(13(31)5-9)29(39)23-17(35)7-15(33)21(25(23)27(11)37)22-16(34)8-18(36)24-26(22)28(38)12-4-10(2)6-14(32)20(12)30(24)40/h3-8,31-36H,1-2H3"	CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C5=O)C=C(C=C6O)C)O)O	MQSXZQXHIJMNAF-UHFFFAOYSA-N
DG50619	(3R)-Astragaluquinone	73200	"(3R)-Astragaluquinone; 158991-20-9; Astragaluquinone; CHEMBL1979745; DTXSID70936029; NSC681146; NSC-681146; 2-[(3R)-7,8-dimethoxy-3,4-dihydro-2H-chromen-3-yl]-6-hydroxycyclohexa-2,5-diene-1,4-dione; NCI60_028970; 1-(7,8-Dimethoxybenzopyranyl)-4-hydroxybenzoquinone; 2,5-Cyclohexadiene-1,4-dione, 2-(3,4-dihydro-7,8-dimethoxy-2H-1-benzopyran-3-yl)-6-hydroxy-, (R)-; 2-(7,8-Dimethoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-6-hydroxycyclohexa-2,5-diene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681146	.	.	.	.	316.3	C17H16O6	82.1	563	1.6	23	1	6	3	"InChI=1S/C17H16O6/c1-21-14-4-3-9-5-10(8-23-16(9)17(14)22-2)12-6-11(18)7-13(19)15(12)20/h3-4,6-7,10,19H,5,8H2,1-2H3/t10-/m0/s1"	COC1=C(C2=C(C[C@@H](CO2)C3=CC(=O)C=C(C3=O)O)C=C1)OC	ZPNCZRGNATWPGL-JTQLQIEISA-N
DG50620	Antibiotic CC 1065	73240	"Antibiotic CC 1065; CC-1065; NSC298223; 5-hydroxy-2-[5-hydroxy-4-methoxy-2-(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide; 69866-21-3; CHEMBL152578; SCHEMBL14586762; NSC617542; NSC-298223; NSC-617542; NCI60_002495; U-56314; Benzo[1,3-b']dipyrrole-3(2H)-carboxamide, 7-[[1,6-dihydro-4-hydroxy-5-methoxy-7-[(4,5,8,8a-tetrahydro-7-methyl-4-oxocyclopropa[c]pyrrolo[3,2-e]indol-2(1H)-yl)carbonyl]benzo[1,2-b:4,3-b']dipyrrol-3(2H)-yl]carbonyl]-1,6-dihydro-4-hydroxy-5-methoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	298223	.	.	.	.	703.7	C37H33N7O8	210	1610	2.4	52	6	8	4	"InChI=1S/C37H33N7O8/c1-14-12-39-27-22(45)10-23-37(24(14)27)11-15(37)13-44(23)35(49)21-9-18-16-4-6-42(28(16)30(46)32(51-2)25(18)41-21)34(48)20-8-19-17-5-7-43(36(38)50)29(17)31(47)33(52-3)26(19)40-20/h8-10,12,15,39-41,46-47H,4-7,11,13H2,1-3H3,(H2,38,50)"	CC1=CNC2=C1C34CC3CN(C4=CC2=O)C(=O)C5=CC6=C7CCN(C7=C(C(=C6N5)OC)O)C(=O)C8=CC9=C1CCN(C1=C(C(=C9N8)OC)O)C(=O)N	UOWVMDUEMSNCAV-UHFFFAOYSA-N
DG50621	Fascaplysine	73292	"Fascaplysin; Fascaplysine; 114719-57-2; Fascaplysin chloride; CHEMBL258765; Fascaplisine; NSC622398; NSC-622398; 3-aza-13-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-20-one;chloride; 12,13-dihydro-13-oxo-pyrido[1,2-a:3,4-b']diindol-5-ium, monochloride; Pyrido[1,2-a:3,4-b']diindol-5-ium, 12,13-dihydro-13-oxo-, chloride; GNF-PF-1458; SCHEMBL15531753; HMS3229G10; AKOS040694871; Pyrido(1,2a:3,4-b')diindol-5-ium, 12,13-dihydro-13-oxo-, chloride; CCG-206840; Fascaplysin, Synthetic - CAS 114719-57-2; J-003125; Pyrido[1,4-b']diindol-5-ium, 12,13-dihydro-13-oxo-,chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622398	.	.	.	.	306.7	C18H11ClN2O	36.7	451	.	22	1	2	0	InChI=1S/C18H10N2O.ClH/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20;/h1-10H;1H	C1=CC=C2C(=C1)C3=C(N2)C4=[N+](C=C3)C5=CC=CC=C5C4=O.[Cl-]	PWUOOJVYZQILBG-UHFFFAOYSA-N
DG50622	alpha-Hederin	73296	"alpha-Hederin; Helixin; Hederoside C; Tauroside E; Kalopanaxsaponin A; Koronaroside A; 27013-91-8; Sapindoside A; Prosapogenin CP3b; Glycoside L-E1; Akeboside Stc; Nepalin 2; Pulsatilla saponin A; UNII-4H15F0GLV2; 4H15F0GLV2; CHEBI:69370; .alpha.-Hederin; Akebia saponin PD; Kizuta saponin K6; Helixin (VAN); alpha-Hederin hydrate; alpha-Hederine; alpha-Hederine [French]; (4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-(((2S,3R,4S,5S)-4,5-Dihydroxy-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid; EINECS 248-166-5; NSC 106553; BRN 0076156; NSC106553; Akebiasaponin PD; Kizutasaponin K6; alpha-Hederin (8CI); Rha-Ara-3beta-hederagenin; 4-17-00-02560 (Beilstein Handbook Reference); CHEMBL447565; SCHEMBL3007691; DTXSID80909168; (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; HY-N0255; s3914; ZINC95098996; AKOS032961986; CCG-270437; CS-5690; (4alpha)-3beta-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl)oxy)-23-hydroxyolean-12-en-28-oic acid; AC-33961; Olean-12-en-28-oic acid, 3-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl)oxy)-23-hydroxy-, (3-beta,4-alpha)-; N2051; C08954; Q25105925; 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl hederagenin; 104748-88-1; 3beta-{[2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid; Olean-12-en-28-oic acid, 3-[[2-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.alpha.-L-arabinopyranosyl]oxy]-23-hydroxy-, (3.beta., 4.alpha.)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106553	.	.	.	.	751	C41H66O12	196	1440	3.6	53	7	12	6	"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1"	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H]([C@]3(C)CO)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O)O	KEOITPILCOILGM-LLJOFIFVSA-N
DG50623	Jacaranone	73307	"Jacaranone; 60263-07-2; methyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate; NSC251682; Jacaramome; Jacaranon; CHEMBL469293; SCHEMBL19624651; WJZSKNRPRWCLLK-UHFFFAOYSA-; DTXSID70975675; ZINC1556409; BDBM50480311; NSC289076; NSC 289076; NSC-251682; NSC-289076; NCI60_002013; methyl (1-hydroxy-4-oxo-2,5-cyclohexandienyl)acetate; Methyl (1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate; 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid methyl ester; methyl 2-(1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)acetate; 2,5-Cyclohexadiene-1-acetic acid, 1-hydroxy-4-oxo-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	251682	.	.	.	.	182.17	C9H10O4	63.6	272	0.2	13	1	4	3	"InChI=1S/C9H10O4/c1-13-8(11)6-9(12)4-2-7(10)3-5-9/h2-5,12H,6H2,1H3"	COC(=O)CC1(C=CC(=O)C=C1)O	WJZSKNRPRWCLLK-UHFFFAOYSA-N
DG50624	Digilanide A	73383	"Adigal; Digilanide A; NSC7532; Card-20(22)-enolide, 3-[(O-.beta.-D-glucopyranosyl-(1.fwdarw.4)-O-3-O-acetyl-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7532	.	.	.	.	969.1	C49H76O19	268	1840	1.8	68	7	19	12	"InChI=1S/C49H76O19/c1-22-43(66-38-18-33(53)44(23(2)61-38)67-39-19-34(63-25(4)51)45(24(3)62-39)68-46-42(57)41(56)40(55)35(20-50)65-46)32(52)17-37(60-22)64-28-9-12-47(5)27(16-28)7-8-31-30(47)10-13-48(6)29(11-14-49(31,48)58)26-15-36(54)59-21-26/h15,22-24,27-35,37-46,50,52-53,55-58H,7-14,16-21H2,1-6H3/t22-,23-,24 ,27-,28+,29-,30+,31-,32+,33+,34+,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1"	C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H](C(O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC(=O)C)O	YFGQJKBUXPKSAW-OQHPCPMASA-N
DG50625	Solanocapsine	73419	"Solanocapsine; 639-86-1; Solanocapsin; UNII-WWQ51S32N8; NSC102622; CHEBI:9189; WWQ51S32N8; NSC 102622; amino(tetramethyl)[ ]ol; CHEMBL2002365; DTXSID00980818; NSC-102622; NCI60_000071; Q14035668; 16, 3-amino-16,23-epoxy-, (3.beta.,5.alpha.,16.alpha.,22.alpha.,23.beta.,25.beta.)-; (1S,2R,5S,7S,10S,11S,14S,15R,16S,17R,20R,22S,24R)-7-amino-10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosan-22-ol; 16,28-Secosolanidan-23-ol, 3-amino-16,23-epoxy-, (3beta,5alpha,16alpha,22alpha,23beta,25beta)- (9CI); 2-Amino-4a,6a,7,10-tetramethyldocosahydronaphtho[2'',1'':4',5']indeno[1',2':5,6]pyrano[3,2-b]pyridin-11a(1H)-ol; Naphth[2'',1'':4',5']indeno[1',2':5,6]pyrano[3,2-b]pyridin-11a(1H)-ol,2-aminodocosahydro-4a,6a,7,10-tetramethyl-, (2S,4aS,4bS,6aS,6bR,7S,7aR,10R,11aS,12aR,13aS,13bR,15aS)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102622	.	.	.	.	430.7	C27H46N2O2	67.5	730	5	31	3	4	0	"InChI=1S/C27H46N2O2/c1-15-13-27(30)24(29-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(28)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,29-30H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+/m1/s1"	C[C@@H]1C[C@]2([C@@H]([C@H]([C@H]3[C@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)N)C)C)C)NC1)O	ZPTJKUUQUDRHTL-QAQRTNARSA-N
DG50626	Fusarubin	73421	"Fusarubin; Oxyjavanicin; 1702-77-8; UNII-7O2VQR7EHB; NSC106193; 7O2VQR7EHB; 3,5,10-trihydroxy-7-methoxy-3-methyl-1,4-dihydrobenzo[g]isochromene-6,9-dione; 1H-Naphtho[2,3-c]pyran-5,10-dione, 3,4-dihydro-3,6,9-trihydroxy-7-methoxy-3-methyl-; 1H-Naphtho(2,3-c)pyran-5,10-dione, 3,4-dihydro-3,6,9-trihydroxy-7-methoxy-3-methyl-; NSC 106193; SCHEMBL2136657; CHEMBL1224816; 1,4-Naphthoquinone, 3-acetonyl-5,8-dihydroxy-2-(hydroxymethyl)-6-methoxy-; NSC-106193; 3,4-Dihydro-3,6,9-trihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-5,10-dione; NCI60_000144; 1, 3-acetonyl-5,8-dihydroxy-2-(hydroxymethyl)-6-methoxy-; 1H-Naphtho[2,10-dione, 3,4-dihydro-3,6,9-trihydroxy-7-methoxy-3-methyl-; 1,4-Naphthoquinone, 3-acetonyl-5,8-dihydroxy-2-(hydroxymethyl)-6-methoxy- (8CI); 3,5,10-Trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-6,9-dione #; 3,6,9-trihydroxy-7-methoxy-3-methyl-1,4-dihydrobenzo[g]isochromene-5,10-dione; 1H-Naphtho(2,3-c)pyran-5,10-dione, 3,4-dihydro-3,6,9-trihydroxy-7-methoxy-3-methyl- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106193	.	.	.	.	306.27	C15H14O7	113	542	1.4	22	3	7	1	"InChI=1S/C15H14O7/c1-15(20)4-6-7(5-22-15)13(18)10-8(16)3-9(21-2)14(19)11(10)12(6)17/h3,17-18,20H,4-5H2,1-2H3"	CC1(CC2=C(CO1)C(=C3C(=O)C=C(C(=O)C3=C2O)OC)O)O	FKJXMYJPOKQPSS-UHFFFAOYSA-N
DG50627	Pinnatifidin	73465	"Pinnatifidin; 35730-85-9; NSC85234; NSC 85234; CHEMBL1971944; DTXSID80957144; NSC-85234; Naphtho(2,3-b)furan-2,7-dione, 3,3a,4,4a,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-, (3aR-(3aalpha,4aalpha,8abeta,9aalpha))-; NCI60_041868; 5,8a-Dimethyl-3-methylidene-3,3a,4,4a,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2,7-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85234	.	.	.	.	246.3	C15H18O3	43.4	488	1.8	18	0	3	0	"InChI=1S/C15H18O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h4,11-13H,2,5-7H2,1,3H3/t11-,12+,13-,15-/m1/s1"	CC1=CC(=O)C[C@]2([C@H]1C[C@H]3[C@@H](C2)OC(=O)C3=C)C	VTEFIBXQBGMXNK-QVHKTLOISA-N
DG50628	Agroclavine	73484	"Agroclavine; 8,9-Didehydro-6,8-dimethylergoline; (-)-agroclavine; UNII-A8SW57GO7T; Ergoline, 8,9-didehydro-6,8-dimethyl-; (5R,10R)-agroclavine; 6,8-Dimethyl-8,9-didehydroergoline; AGROCLAVIN; 548-42-5; A8SW57GO7T; CHEBI:2519; CHEMBL449081; NSC93132; (6aR,10aR)-7,9-dimethyl-4,6,6a,7,8,10a-hexahydroindolo[4,3-fg]quinoline; CCRIS 2099; Indolo(4,3-fg)quinoline, 4,6,6a,7,8,10a-hexahydro-7,9-dimethyl-; EINECS 208-947-3; NSC 93132; BRN 0024966; Lopac-A-206; Biomol-NT_000066; Lopac0_000128; 4-23-00-01623 (Beilstein Handbook Reference); cid_73484; MLS001216424; SCHEMBL183368; BPBio1_001357; ZINC1604018; BDBM50016490; 8,9-Didehydro-6,8-dimethyl-ergoline; CCG-204223; NCGC00015018-01; NCGC00163164-01; SMR000544202; EU-0100128; C09023; SR-01000075354; Q4694226; SR-01000075354-1; 7,9-Dimethyl-4,6,6a,7,8,10a-hexahydro-indolo[4,3-fg]quinoline; (6aR,10aR)-7,9-Dimethyl-4,6,6a,7,8,10a-hexahydro-indolo[4,3-fg]quinoline; 7,9-Dimethyl-4,6,6a,7,8,10a-hexahydro-indolo[4,3-fg]quinoline (Agroclavine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93132	.	.	.	.	238.33	C16H18N2	19	375	2.6	18	1	1	0	"InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3/t13-,15-/m1/s1"	CC1=C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C	XJOOMMHNYOJWCZ-UKRRQHHQSA-N
DG50629	"N-1-Anthraquinonyl-2,3-dichloropropionamide"	73490	"63915-90-2; NSC 127763; N-1-Anthraquinonyl-2,3-dichloropropionamide; Propionamide, N-(1-anthraquinonyl)-2,3-dichloro-; NSC127763; Anthraquinone, 1-((1,2-dichloroethyl)carbonylimino)-; CHEMBL1966914; SCHEMBL15245122; NSC-127763; NCI60_000635; Propanamide,3-dichloro-N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-; N-(9,10-Dihydro-9,10-dioxoanthracen-1-yl)-2,3-dichloropropionamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127763	.	.	.	.	348.2	C17H11Cl2NO3	63.2	510	3.8	23	1	3	3	"InChI=1S/C17H11Cl2NO3/c18-8-12(19)17(23)20-13-7-3-6-11-14(13)16(22)10-5-2-1-4-9(10)15(11)21/h1-7,12H,8H2,(H,20,23)"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C(CCl)Cl	NMNHTHKXGSVAQT-UHFFFAOYSA-N
DG50630	Isoharringtonine	73492	"Isoharringtonine; 26833-86-3; NSC141634; NSC 141634; 1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R,3S)-2,3-dihydroxy-2-(3-methylbutyl)butanedioate; Cephalotaxine, 4-methyl-2,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester), (3-(2R,3S))-; CHEMBL1969433; SCHEMBL14698126; 4-Methylcephalotaxine 2,3-dihydroxy-2-(3-methylbutyl)butanedioate ester; NSC-141634; Cephalotaxine, 4-methyl (2R,3S)-2,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester); NCI60_000918; Cephalotaxine,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester); Cephalotaxine, 4-methyl (2R,3S)-2,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester) (9CI); Cephalotaxine,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester), [3(2R,3S)]-; Cephalotaxine,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester),[3(2R,3S)]-; O1-(methoxy[ ]yl) O4-methyl (2R,3S)-2,3-dihydroxy-2-isopentyl-butanedioate; Cephalotaxine, 4-methyl 2,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester), (3(2R,3S))- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141634	.	.	.	.	531.6	C28H37NO9	124	939	1.3	38	2	10	10	"InChI=1S/C28H37NO9/c1-16(2)6-9-28(33,24(30)25(31)35-4)26(32)38-23-21(34-3)14-27-8-5-10-29(27)11-7-17-12-19-20(37-15-36-19)13-18(17)22(23)27/h12-14,16,22-24,30,33H,5-11,15H2,1-4H3/t22-,23-,24-,27+,28-/m1/s1"	CC(C)CC[C@@]([C@@H](C(=O)OC)O)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O	CAOHZEUEVKYHPF-XWHOPEMDSA-N
DG50631	1-Propylagroclavine tartrate	73501	"1-Propylagroclavine tartrate; 89930-60-9; 1-Propylagroclavine hydrogen (2R,3R)-tartrate; CCRIS 2101; NSC 332292; NSC332292; 8,9-Didehydro-6,8-dimethyl-1-propylergoline tartrate; Indolo(4,3-fg)quinoline, ergoline deriv.; Ergoline, 8,9-didehydro-6,8-dimethyl-1-propyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332292	.	.	.	.	430.5	C23H30N2O6	123	563	.	31	4	7	5	"InChI=1S/C19H24N2.C4H6O6/c1-4-8-21-12-14-10-18-16(9-13(2)11-20(18)3)15-6-5-7-17(21)19(14)15;5-1(3(7)8)2(6)4(9)10/h5-7,9,12,16,18H,4,8,10-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t16-,18-;1-,2-/m11/s1"	CCCN1C=C2C[C@@H]3[C@H](C=C(CN3C)C)C4=C2C1=CC=C4.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O	QYFRKSXWBYEURI-XJKHTWGASA-N
DG50632	"(4-((4-(Dimethylamino)phenyl)imino)cyclohexa-2,5-dien-1-ylidene)dimethylammonium chloride"	73516	"4486-05-9; C.I. 49405; N-(4-((4-(dimethylamino)phenyl)imino)cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride; Bindschedlers grun; NSC 7811; Bindschedlers grun [German]; C16H20N3.Cl; NIOSH/BQ1922500; DTXSID60963288; NSC7811; NSC-7811; EINECS 224-773-0; 6346AF; MFCD00031669; AKOS024332831; MCULE-5143443301; DB-051255; BQ19225000; FT-0635324; N14327; Q863659; N1-(4-(DIMETHYLAMINO)PHENYL)-N4,N4-DIMETHYLBENZENE-1,4-DIAMINE HCL; (4-((4-(Dimethylamino)phenyl)imino)cyclohexa-2,5-dien-1-ylidene)dimethylammonium chloride; (4-((p-(Dimethylamino)phenyl)imino)-2,5-cyclohexadien-1-ylidene)dimethylammonium; [4-(4-Dimethylamino-phenylimino)-cyclohexa-2,5-dienyliden]-dimethyl-ammonium chloride; Ammonium, dimethyl(4-((4-dimethylaminophenyl)imino)-2,5-cyclohexadien-1-ylidene)-, chloride; Dimethyl(4-((4-dimethylaminophenyl)imino)-2,5-cyclohexadien-1-ylidene)ammonium chloride; 4-{[4-(DIMETHYLAMINO)PHENYL]IMINO}-N,N-DIMETHYLCYCLOHEXA-2,5-DIEN-1-IMINIUM CHLORIDE; Ammonium, (4-((p-(dimethylamino)phenyl)imino)-2,5-cyclohexadien-1-ylidene)dimethyl-, chloride (8CI); Methanaminium, N-(4-((4-(dimethylamino)phenyl)imino)-2,5-cyclohexadien-1-ylidene)-N-methyl-, chloride (9CI); N-(4-(4-(dimethylamino)phenylimino)cyclohexa-2,5-dienylidene)-N-methylmethanaminium chloride; N-(4-{[4-(dimethylamino)phenyl]imino}-2,5-cyclohexadien-1-ylidene)-N-methylmethanaminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7811	.	.	.	.	289.8	C16H20ClN3	18.6	375	.	20	0	3	2	"InChI=1S/C16H20N3.ClH/c1-18(2)15-9-5-13(6-10-15)17-14-7-11-16(12-8-14)19(3)4;/h5-12H,1-4H3;1H/q+1;/p-1"	CN(C)C1=CC=C(C=C1)N=C2C=CC(=[N+](C)C)C=C2.[Cl-]	IVNALXNJOCZGMK-UHFFFAOYSA-M
DG50633	New methylene blue	73518	"New methylene blue; Basic blue 24; 1934-16-3; New Methylene Blue N; Methylene Blue NN; UNII-5GCZ112BCN; 5GCZ112BCN; 3,7-Bis(ethylamino)-2,8-dimethylphenothiazin-5-ium chloride; ethyl-[7-(ethylamino)-2,8-dimethylphenothiazin-3-ylidene]azanium;chloride; C.I. Basic Blue 24; NSC9605; C.I. Basic Blue 24 (VAN); NSC 9605; EINECS 217-696-9; Sigma B-4631; SCHEMBL220238; DTXSID30894752; NSC-9605; AKOS024287626; New Methylene Blue (C.I. 52030); D91677; Q8214050; Phenothiazin-5-ium,7-bis(ethylamino)-2,8-dimethyl-, chloride; Phenothiazin-5-ium, 3,7-bis(ethylamino)-2,8-dimethyl-, chloride (8CI)(9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9605	.	.	.	.	347.9	C18H22ClN3S	63.7	516	.	23	2	4	3	"InChI=1S/C18H21N3S.ClH/c1-5-19-13-9-17-15(7-11(13)3)21-16-8-12(4)14(20-6-2)10-18(16)22-17;/h7-10,19H,5-6H2,1-4H3;1H"	CCNC1=CC2=C(C=C1C)N=C3C=C(C(=[NH+]CC)C=C3S2)C.[Cl-]	SQHOAFZGYFNDQX-UHFFFAOYSA-N
DG50634	"Strychnidin-10-one, 21,22-dihydro-2,3-dimethoxy-"	73531	"Strychnidin-10-one, 21,22-dihydro-2,3-dimethoxy-; 21,22-Dihydrobrucine; NSC72917; 34403-90-2; NSC 72917; BRN 0102328; Dihydrobrucine; 21,22-Dihydro-2,3-dimethoxystrychnidin-10-one; 2-27-00-00795 (Beilstein Handbook Reference); 28879-93-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72917	.	.	.	.	396.5	C23H28N2O4	51.2	732	0.8	29	0	5	2	"InChI=1S/C23H28N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h8-9,12-13,18-19,21-22H,3-7,10-11H2,1-2H3/t12 ,13-,18-,19-,21-,22-,23+/m0/s1"	COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCCC6C5)OC	BETNIDISFVHOSJ-KIDVFHKFSA-N
DG50635	"Indolo[2,1-b]quinazoline-6,12-dione"	73549	"Tryptanthrin; Indolo[2,1-b]quinazoline-6,12-dione; 13220-57-0; Tryptanthrine; Couroupitine a; TCMDC-125859; GNF-PF-2691; MFCD00012073; NSC 349447; UNII-4Y6E3F2U66; CHEBI:9768; CHEMBL306946; 4Y6E3F2U66; NSC349447; Indolo(2,1-b)quinazoline-6,12-dione; SR-01000521538; Tryptantherin; Indolo[2,12-dione; Oprea1_754264; 6,12-dihydro-6,12-dioxoindole(2,1-b)quinazoline; MLS001049121; GTPL8224; SCHEMBL2426211; ZINC33299; DTXSID90157431; Tryptanthrin, >=98% (HPLC); HMS2271H05; AMY31414; HY-N6607; 5941AA; BDBM50240612; s5686; STK078931; AKOS000671350; CCG-208326; MCULE-7521697515; NSC-349447; NCGC00160337-01; NCGC00160337-02; DS-15687; NCI60_003113; SMR000386951; SY017117; NCGC00160337-01!TRYPTANTHRINE; CS-0034349; FT-0733127; J-006143; SR-01000521538-1; SR-01000521538-4; Indolo(2,1-b)quinazoline-6,12-dione (8CI)(9CI); Q27089028"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	349447	.	.	.	.	248.24	C15H8N2O2	49.7	471	2.1	19	0	3	0	InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H	C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)C3=N2	VQQVWGVXDIPORV-UHFFFAOYSA-N
DG50636	Sellowin A	73589	"Sellowin A; 34198-79-3; NSC329488; (1S,2R,4R,5R,10S,12S,14R,15R,18R)-5-(1-hydroxypropan-2-yl)-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione; NSC 329488; CHEMBL1981967; DTXSID80955741; (14xi)-3,15-Dideoxypodolactone B; NSC-329488; NCI60_002880; c030629; (2-hydroxy-1-methyl-ethyl)-dimethyl-[ ]dione; 4-(1-Hydroxypropan-2-yl)-7a,9a-dimethyl-5a,5b,5c,7a,7b,8a,9,9a-octahydro-2H,4H,7H-furo[2',3',4':4,5]bisoxireno[2,3:6,7]naphtho[2,1-c]pyran-2,7-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329488	.	.	.	.	362.4	C19H22O7	97.9	791	0.1	26	1	7	2	"InChI=1S/C19H22O7/c1-7(6-20)13-19-9(4-10(21)24-13)17(2)5-8-14(23-8)18(3)12(17)11(15(19)26-19)25-16(18)22/h4,7-8,11-15,20H,5-6H2,1-3H3/t7 ,8-,11-,12+,13+,14-,15+,17+,18+,19+/m0/s1"	CC(CO)[C@@H]1[C@]23[C@H](O2)[C@@H]4[C@@H]5[C@@](C3=CC(=O)O1)(C[C@H]6[C@@H]([C@@]5(C(=O)O4)C)O6)C	HFEAHCITXGPGJQ-BDCUKGRPSA-N
DG50637	Cinerubin B	73593	"Cinerubin B; Cinerubine B; Tauromycetin-III; Antibiotic MA 144B2; NSC 18335; Tavromycetin III; 35906-51-5; MA144 B2; NSC 62490; NSC18335; NSC62490; NSC243023; 1-Naphthacenecarboxylic acid, 4-(((2''',3''-anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulos-1-yl(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-; 1-Naphthacenecarboxylic acid, 4-(((2''',3''-anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulos-1-yl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10; 1-Naphthacenecarboxylic acid, 4-(((2''',3''-anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulos-1-yl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydro-6,11-dioxo-, methyl ester, (1R-(1alpha,2beta,4beta))-; 1-Naphthacenecarboxylic acid,4-(((2''',3''-anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulos-1-yl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-; HY-131054; CS-0127563; 1-Naphthacenecarboxylic acid,4-[[[2''',3''-anhydro]-O-3,6-dideoxy-.alpha.-L-erythro-hexopyranos-4-uloslyl-(1-4)-O-2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-, methyl ester,[1R-(1.alpha.,2.beta.,4.beta.)]-; methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-5-[[(2S,4aS,5aS,7S,9S,9aR,10aR)-2,9-dimethyl-3-oxo-4,4a,5a,6,7,9,9a,10a-octahydrodipyrano[[ ],[ ]][1,4]dioxin-7-yl]oxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18335	.	.	.	.	825.8	C42H51NO16	226	1610	4	59	4	17	8	"InChI=1S/C42H51NO16/c1-8-42(51)15-27(30-19(34(42)40(50)52-7)11-20-31(36(30)48)37(49)33-23(45)10-9-22(44)32(33)35(20)47)57-28-12-21(43(5)6)38(17(3)53-28)58-29-14-25-39(18(4)54-29)59-41-26(56-25)13-24(46)16(2)55-41/h9-11,16-18,21,25-29,34,38-39,41,44-45,48,51H,8,12-15H2,1-7H3/t16-,17-,18-,21-,25-,26-,27-,28-,29-,34-,38+,39+,41-,42+/m0/s1"	CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@H]7[C@@H]([C@@H](O6)C)O[C@H]8[C@@H](O7)CC(=O)[C@@H](O8)C)N(C)C)O	ZBDDFHXUDIPRSM-DQCCILMQSA-N
DG50638	Neotenone	73603	"Neotenone; Neorautenone; 10091-02-8; UNII-D08G5O2Y2W; D08G5O2Y2W; NSC361413; 6-(6-methoxy-1,3-benzodioxol-5-yl)-6,7-dihydrofuro[3,2-g]chromen-5-one; 6,7-Dihydro-6-(6-methoxy-1,3-benzodioxol-5-yl)-5H-furo[3,2-g][1]benzopyran-5-one; 6,7-Dihydro-6-(6-methoxy-1,3-benzodioxol-5-yl)-5H-furo(3,2-g)(1)benzopyran-5-one; NSC 361413; CHEMBL1988403; LMPK12050454; NSC-361413; 5H-Furo(3,2-g)(1)benzopyran-5-one, 6,7-dihydro-6-(6-methoxy-1,3-benzodioxol-5-yl)-; NCI60_003294"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361413	.	.	.	.	338.3	C19H14O6	67.1	524	3.3	25	0	6	2	"InChI=1S/C19H14O6/c1-21-15-7-18-17(24-9-25-18)5-11(15)13-8-23-16-6-14-10(2-3-22-14)4-12(16)19(13)20/h2-7,13H,8-9H2,1H3"	COC1=CC2=C(C=C1C3COC4=C(C3=O)C=C5C=COC5=C4)OCO2	JZNIBAUSQWDFGE-UHFFFAOYSA-N
DG50639	4beta-Hydroxywithanolide E	73621	"4beta-Hydroxywithanolide E; 4-beta-Hydroxywithanolide E; 4beta-hydroxywithanolide; 54334-04-2; CHEMBL502563; NSC212509; 5beta,6beta-epoxy-4beta,14,17alpha,20,22R-pentahydroxy-1-oxo-ergosta-2,24-dien-26-oic acid, -lactone; Withanolide E, 4-beta-hydroxy-; NSC 212509; 4.beta.-Hydroxywithanolide E; CHEBI:176191; BDBM50480318; WITHANOLIDE E, 4-B-HYDROXY-; NSC-212509; 5,6-Epoxy-4,14,17,20,22-pentahydroxy-1-oxoergosta-2,24-dien-26-oic acid delta-lactone; Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,14,17,20,22-pentahydroxy-1-oxo-, delta-lactone, (4-beta,5-beta,6-beta,17-alpha,22R)-; NCI60_001790; Ergosta-2, 5,6-epoxy-4,14,17,20,22-pentahydroxy-1-oxo-, .delta.-lactone; (17S,22R)-5,6beta-Epoxy-4beta,14,17,20,22-pentahydroxy-1-oxo-5beta-ergosta-2,24-diene-26-oic acid delta-lactone; (1S,2R,6S,7R,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one; Ergosta-2, 5,6-epoxy-4,14,17,20,22-pentahydroxy-1-oxo-, .delta.-lactone, (4.beta.,5.beta.,6.beta.,17.alpha.,22R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	212509	.	.	.	.	502.6	C28H38O8	137	1130	0.6	36	4	8	2	"InChI=1S/C28H38O8/c1-14-12-20(35-22(31)15(14)2)25(5,32)27(34)11-10-26(33)17-13-21-28(36-21)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,19-21,30,32-34H,8-13H2,1-5H3/t16-,17+,19-,20+,21+,23-,24-,25-,26+,27-,28+/m0/s1"	CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@@]2(CC[C@@]3([C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)O)O)O)C	UPBUGICUKQIKTJ-KABTZXSUSA-N
DG50640	2-Demethyl-N-trifluoroacetyl-deacetylcolchicine	73627	"NSC335989; NSC 335989; 2-Demethyl-N-trifluoroacetyl-deacetylcolchicine; 86436-46-6; Acetamide, N-(2-hydroxy-9-oxo-1,3,10-trimethoxy-5,6,7,9-tetrahydrobenzo(a)heptalen-7-yl)-2,2,2-trifluoro-; MLS002701827; BRN 4829346; CHEMBL27910; DTXSID80235550; Acetamide, 2,2,2-trifluoro-N-(5,6,7,9-tetrahydro-2-hydroxy-1,3,10-trimethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-; ZINC4583474; COLCHINE, N-TRIFLUORO ACETYL; NSC-335989; 2,2,2-trifluoro-N-[(7S)-2-hydroxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide; NCI60_002948; (S)-7alpha-Trifluoroacetylamino-6,7-dihydro-2-hydroxy-1,3,10-trimethoxybenzo[a]heptalen-9(5H)-one; Acetamide,2,2-trifluoro-N-(5,6,7,9-tetrahydro-2-hydroxy-1,3,10-trimethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	335989	.	.	.	.	439.4	C21H20F3NO6	94.1	818	1.7	31	2	9	4	"InChI=1S/C21H20F3NO6/c1-29-15-7-5-11-12(9-14(15)26)13(25-20(28)21(22,23)24)6-4-10-8-16(30-2)18(27)19(31-3)17(10)11/h5,7-9,13,27H,4,6H2,1-3H3,(H,25,28)/t13-/m0/s1"	COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)O)OC)NC(=O)C(F)(F)F	BXGLTIXFXLUVOH-ZDUSSCGKSA-N
DG50641	Tetracenomycin C	73632	"Tetracenomycin C; 71135-22-3; methyl (6aR,7S,10aR)-6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydrotetracene-2-carboxylate; NSC 309451; CHEBI:9470; NSC309451; 2-Naphthacenecarboxylic acid, 6,6a,7,10,10a,11-hexahydro-6a,10a,12, -tetrahydroxy-3, -dimethoxy-1-methyl-6,11, -trioxo-, methyl ester; methyl (6aR,7S,10aR)-6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate; C06801; Q27108403"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	309451	.	.	.	.	472.4	C23H20O11	177	959	0.4	34	4	11	4	"InChI=1S/C23H20O11/c1-8-14-9(6-11(32-2)15(8)21(29)34-4)5-10-16(17(14)25)20(28)22(30)13(24)7-12(33-3)19(27)23(22,31)18(10)26/h5-7,19,25,27,30-31H,1-4H3/t19-,22-,23-/m1/s1"	CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)[C@@]4(C(=O)C=C([C@H]([C@@]4(C3=O)O)O)OC)O)OC)C(=O)OC	ULHJWHCSSAEMLW-UEVCKROQSA-N
DG50642	Hydroxyaspergillic acid	73679	"Hydroxyaspergillic acid; ASPERGILLIC ACID, HYDROXY; Aspergillic acid, hydroxy-; 4562-39-4; MLS002919939; NSC127445; 19833-47-7; Hhmmpp; BRN 0655115; NSC 127445; alpha-Ethyl-6-hydroxy-5-isobutyl-alpha-methylpyrazinemethanol 1-oxide; Pyrazinemethanol, alpha-ethyl-6-hydroxy-5-isobutyl-alpha-methyl-, 1-oxide; Pyrazinemethanol, alpha-ethyl-6-hydroxy-5-alpha-methyl-5-(2-methylpropyl)-, 1-oxide; CHEMBL1977664; DTXSID80941669; 1-Hydroxy-6-(1-hydroxy-1-methylpropyl)-3-(2-methylpropyl)-2(1H)-pyrazinone; NSC-127445; NCI60_000625; SMR001797538; 1-Hydroxy-6-(2-hydroxybutan-2-yl)-3-(2-methylpropyl)pyrazin-2(1H)-one; 2(1H)-Pyrazinone, 1-hydroxy-6-(1-hydroxy-1-methylpropyl)-3-(2-methylpropyl)-, (11beta,16alpha)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127445	.	.	.	.	240.3	C12H20N2O3	73.1	374	1	17	2	4	4	"InChI=1S/C12H20N2O3/c1-5-12(4,16)10-7-13-9(6-8(2)3)11(15)14(10)17/h7-8,16-17H,5-6H2,1-4H3"	CCC(C)(C1=CN=C(C(=O)N1O)CC(C)C)O	ARNQMQXMJRUMRP-UHFFFAOYSA-N
DG50643	Gallocyanine	73801	"GALLOCYANINE; 1562-85-2; Gallocyanin; 1-Carboxy-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium chloride; Solid Violet; Gallocyanine BS; Gallocyanine DH; Fast Violet; Anthracene Blue SWGG; Alizarine Navy Blue AT; Brilliant Chrome Blue P; C.I. Mordant Blue 10; Mordant blue 10; C.I. 51030; UNII-8S1S2GY38K; MFCD00011926; 7-(dimethylamino)-4-hydroxy-3-oxophenoxazin-10-ium-1-carboxylic acid;chloride; 8S1S2GY38K; CHEBI:90106; NSC103779; Phenoxazin-5-ium, 1-carboxy-7-(dimethylamino)-3,4-dihydroxy-, chloride; Phenoxazin-5-ium, 1-carboxy-7-(dimethylamino)-3,4-dihydroxy-, chloride (1:1); 7-Dimethylamino-4-hydroxy-3-oxo-phenoxazine-1-carboxylic acid; NSC47701; NSC-103779; EINECS 216-345-7; NSC 47701; NSC 103779; SCHEMBL218915; CHEMBL1966521; Gallocyanine, Dye content 90 %; C.I. Mordant Blue 10 (8CI); 7833AA; NSC-47701; AKOS015903750; AKOS024319602; CCG-267875; MCULE-4934264418; AS-75495; FT-0626603; A883589; J-009292; Q19597271; Phenoxazin-5-ium,1-carboxy-7-(dimethylamino)-3,4-dihydroxy-,chloride(1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	103779	.	.	.	.	336.72	C15H13ClN2O5	101	632	.	23	3	7	2	"InChI=1S/C15H12N2O5.ClH/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19;/h3-6,19H,1-2H3,(H,20,21);1H"	CN(C)C1=CC2=C(C=C1)[NH+]=C3C(=CC(=O)C(=C3O2)O)C(=O)O.[Cl-]	AQSOTOUQTVJNMY-UHFFFAOYSA-N
DG50644	Bis((3-pyridyl)methyl)amine	74257	"1656-94-6; 3,3'-Dipicolylamine; bis(pyridin-3-ylmethyl)amine; Bis((3-pyridyl)methyl)amine; bis(3-pyridylmethyl)amine; Bis-pyridin-3-ylmethyl-amine; Pyridine, 3,3'-(iminodimethylene)di-; 3,3'-(Iminodimethylene)dipyridine; 1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine; Bis[(3-pyridyl)methyl]amine; NSC86140; 3-Pyridinemethanamine, N-(3-pyridinylmethyl)-; N,N-bis(pyridin-3-ylmethyl)amine; NSC-86140; EINECS 216-753-5; NSC 86140; 3,3-DIPICOLYLAMINE; BRN 0162467; bis(3-pyridylmethyl) amine; NCIStruc1_000139; NCIStruc2_000137; 5-22-09-00321 (Beilstein Handbook Reference); SCHEMBL2861457; bis[(pyridin-3-yl)methyl]amine; CHEMBL1533033; FEBQXMFOLRVSGC-UHFFFAOYSA-; DTXSID50167990; alpha,alpha'-Iminodi(3-picoline); HMS1704O20; ZINC333231; Pyridine,3'-(iminodimethylene)di-; ALBB-005246; NCI86140; STR04757; 5311AD; CCG-36273; MFCD00038043; NCGC00013903; STK500585; AKOS000302502; MCULE-1991166952; SB53047; NCGC00013903-02; NCGC00097012-01; NCI60_041905; BB 0220064; D1199; FT-0753680; N-(3-Pyridinylmethyl)-3-pyridinemethanamine; 3-Pyridinyl-N-(3-pyridinylmethyl)methanamine; pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine; T70390; 3-Pyridinyl-N-(3-pyridinylmethyl)methanamine #; A882378; AG-390/25100010; 1-(pyridin-3-yl)-N-(pyridin-3-ylmethyl)methanamine; 3-Pyridinemethanamine, N-(3-pyridinylmethyl)- (9CI); 3-Pyridinyl-N-(3-pyridinylmethyl)methanamine, AldrichCPR"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	86140	.	.	.	.	199.25	C12H13N3	37.8	154	0.8	15	1	3	4	"InChI=1S/C12H13N3/c1-3-11(7-13-5-1)9-15-10-12-4-2-6-14-8-12/h1-8,15H,9-10H2"	C1=CC(=CN=C1)CNCC2=CN=CC=C2	FEBQXMFOLRVSGC-UHFFFAOYSA-N
DG50645	"1,4-Benzenediol, 2-octyl-"	74352	"2-octylbenzene-1,4-diol; 2-Octylhydroquinone; 1706-69-0; 1,4-Benzenediol, 2-octyl-; Hydroquinone, octyl-; octylhydroquinone; UNII-3SP3K6Z2GU; 3SP3K6Z2GU; NSC99310; 1, 2-octyl-; NCIOpen2_006593; SCHEMBL69169; DTXSID8061892; ZINC1654161; EINECS 216-945-9; NSC 99310; NSC-99310; AKOS022181500; MCULE-3587916931; FT-0657834; Q27257987"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99310	.	.	.	.	222.32	C14H22O2	40.5	170	5.3	16	2	2	7	"InChI=1S/C14H22O2/c1-2-3-4-5-6-7-8-12-11-13(15)9-10-14(12)16/h9-11,15-16H,2-8H2,1H3"	CCCCCCCCC1=C(C=CC(=C1)O)O	ZZXILYOBAFPJNS-UHFFFAOYSA-N
DG50646	"1,4-Benzenediol, 2-(phenylmethyl)-"	74354	"1,4-Benzenediol, 2-(phenylmethyl)-; 1706-73-6; 2-benzylbenzene-1,4-diol; 2-Benzylhydroquinone; 2-(Phenylmethyl)-1,4-benzenediol; Monobenzylhydroquinone; hydroquinone derivative, 2a; BMC171353 Compound 6b; SCHEMBL390179; CHEMBL481994; DTXSID2073273; BDBM34111; NSC99303; ZINC1654158; NSC 99303; NSC-99303; DA-28952; NCI60_042224; FT-0733773"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99303	.	.	.	.	200.23	C13H12O2	40.5	187	3.1	15	2	2	2	"InChI=1S/C13H12O2/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,14-15H,8H2"	C1=CC=C(C=C1)CC2=C(C=CC(=C2)O)O	NEWPHVNFSATQRX-UHFFFAOYSA-N
DG50647	Tetrazolium violet	74395	"TETRAZOLIUM VIOLET; 1719-71-7; Violet tetrazolium; Tetrazolium purple; TV; 2,5-Diphenyl-3-(1-naphthyl)tetrazolium chloride; 2,5-Diphenyl-3(1-naphthyl)-2H-tetrazolium chloride; CHEBI:75193; MFCD00011875; 3-(naphthalen-1-yl)-2,5-diphenyl-2H-tetrazol-3-ium chloride; EINECS 217-008-7; NSC 89171; TETRAZOLIUMVIOLET; SCHEMBL134943; CHEMBL272093; 2H-Tetrazolium, 3-(1-naphthyl)-2,5-diphenyl-, chloride; DTXSID70938063; AMY39290; NSC89171; Tetrazolium Violet, >=94% (AT); 2H-Tetrazolium, 3-(1-naphthalenyl)-2,5-diphenyl-, chloride (9CI); NSC-89171; AKOS015896126; MCULE-9362400237; LS-14981; FT-0654502; T0174; D92314; T-2600; Q27145161; 3-(1-naphthyl)-2,5-diphenyl-2H-tetrazol-3-ium chloride; 104117-26-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89171	.	.	.	.	384.9	C23H17ClN4	34.6	471	.	28	0	3	3	InChI=1S/C23H17N4.ClH/c1-3-11-19(12-4-1)23-24-26(20-14-5-2-6-15-20)27(25-23)22-17-9-13-18-10-7-8-16-21(18)22;/h1-17H;1H/q+1;/p-1	C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5.[Cl-]	RONADMZTCCPLEF-UHFFFAOYSA-M
DG50648	"1,5-Bis(chloromethyl)naphthalene"	74424	"1,5-Bis(chloromethyl)naphthalene; 1733-76-2; UNII-6PM4HK5WJ6; 6PM4HK5WJ6; NSC83233; EINECS 217-070-5; ARSENICTRIOXIDE; Enamine_005031; SCHEMBL2468219; 1,5-di(chloromethyl)naphthalene; AMY9374; DTXSID90169579; Naphthalene,5-bis(chloromethyl)-; HMS1408E15; BAA73376; ZINC1730660; NSC 83233; NSC-83233; Naphthalene, 1,5-bis(chloromethyl)-; AKOS000122293; CS-W004446; IDI1_007618"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83233	.	.	.	.	225.11	C12H10Cl2	0	161	4.4	14	0	0	2	"InChI=1S/C12H10Cl2/c13-7-9-3-1-5-11-10(8-14)4-2-6-12(9)11/h1-6H,7-8H2"	C1=CC(=C2C=CC=C(C2=C1)CCl)CCl	HJTAZXHBEBIQQX-UHFFFAOYSA-N
DG50649	Irinotecan hydrochloride	74990	"Irinotecan hydrochloride; 100286-90-6; Irinotecan Hcl; Topotecin; Campto; Camptothecin 11 hydrochloride; Camptosar; CPT 11; CPT-11; Irinotecan (hydrochloride); Camptothecin 11; UNII-06X131E4OE; U 101440E; CHEBI:5971; (S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate hydrochloride; Camptothecin analog; 06X131E4OE; 7-Ethyl-10-(4-(1-piperidino)-1-piperidino)carbonyloxy camptothecin hydrochloride; NSC616348; NSC-616348; NCGC00095190-01; MFCD01862255; DSSTox_CID_25953; DSSTox_RID_81249; DSSTox_GSID_45953; [(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate;hydrochloride; U-101440E; CAS-100286-90-6; DQ-2805; NSC-759878; Irinotecan hydrochloride [USAN:JAN]; Irinotecanhydrochloride; CPT-11 hydrochloride; irinotecan monohydrochloride; SCHEMBL4033; Camptosar (TN) (Pharmacia); (S)-[1,4'-Bipiperidine]-1'-carboxylic acid, 4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester hydrochloride; C33H38N4O6.HCl; SPECTRUM1505821; CHEMBL541887; DTXSID6045953; HMS1922J04; Pharmakon1600-01505821; AMY24895; BCP17234; irinotecan hydrochloride (anhydrous); Tox21_111479; HY-16562A; NSC759878; s5026; AKOS015901921; Tox21_111479_1; CCG-213561; MCULE-3850427409; NCGC00095190-02; NCGC00178697-04; (1,4'-Bipiperidine)-1'-carboxylic acid, (4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, monohydrochloride; (1,4'-Bipiperidine)-1'-carboxylic acid, 3,4,12,14-tetrahydro-4,11-diethyl-4-hydroxy-3,4-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, monohydrochloride, (S)-; AC-28335; AS-13304; H851; I0714; Irinotecan hydrochloride, topoisomerase inhibitor; 286I906; A897508; SR-01000763864; Q-100016; SR-01000763864-3; Q27106952; Z1550648758; (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl [1,4'-bipiperidine]-1'-carboxylate hydrochloride; (4S)-4,11-Diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylic acid ester hydrochloride; (4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate hydrochloride; [(19S)-10,19-Diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate hydrochloride; [1, 4,11-diethyl-3,4,12, 14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7] indolizino[1,2-b]quinolin-9-yl ester, monohydrochloride (S)-; [1,4'-Bipiperidine]-1'-carboxylic acid,(4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester, monohydrochloride; 1-[1-({[(4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl]oxy}carbonyl)piperidin-4-yl]piperidin-1-ium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	616348	.	.	.	.	623.1	C33H39ClN4O6	113	1200	.	44	2	8	5	"InChI=1S/C33H38N4O6.ClH/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;1H/t33-;/m0./s1"	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.Cl	GURKHSYORGJETM-WAQYZQTGSA-N
DG50650	"2-Naphthalenecarboxamide, 3-hydroxy-N-(4-nitrophenyl)-"	75160	"2208-20-0; 2-Naphthalenecarboxamide, 3-hydroxy-N-(4-nitrophenyl)-; 3-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide; Naphthol AS-AN; UNII-98QD7VL4MX; 98QD7VL4MX; CHEMBL294267; C.I. 37516; C.I. Azoic Coupling Component 27; 3-hydroxy-4'-nitro-2-naphthanilide; 3-hydroxy-N-(4-nitrophenyl)-2-Naphthalenecarboxamide; SCHEMBL9120655; DTXSID6062252; NSC37608; ZINC4783244; BDBM50091998; NSC 37608; NSC-37608; Naphthol AS-AN (C.I. 37516); 2-Naphthanilide, 3-hydroxy-4'-nitro-; DA-23541; FT-0757849; 2-Naphthanilide, 3-hydroxy-4'-nitro- (8CI); (3-Hydroxy(2-naphthyl))-N-(4-nitrophenyl)carboxamide; 3-Hydroxy-naphthalene-2-carboxylic acid (4-nitro-phenyl)-amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37608	.	.	.	.	308.29	C17H12N2O4	95.2	442	4	23	2	4	2	"InChI=1S/C17H12N2O4/c20-16-10-12-4-2-1-3-11(12)9-15(16)17(21)18-13-5-7-14(8-6-13)19(22)23/h1-10,20H,(H,18,21)"	C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])O	ANHISTOUUYKCMS-UHFFFAOYSA-N
DG50651	4-(2-Thiazolylazo)resorcinol	75253	"4-(2-Thiazolylazo)resorcinol; 2246-46-0; 4-(Thiazol-2-yldiazenyl)benzene-1,3-diol; 4-(1,3-thiazol-2-yldiazenyl)benzene-1,3-diol; 1,3-Benzenediol, 4-(2-thiazolylazo)-; EINECS 218-836-1; MLS000757077; MFCD00005322; (E)-4-(thiazol-2-yldiazenyl)benzene-1,3-diol; TAR [=4-(2-THIAZOLYLAZO)RESORCINOL] [METAL INDICATOR AND SPECTROPHOTOMETRIC REAGENT FOR TRANSITION METALS]; 4-(Thiazol-2-ylazo)resorcinol; 2-(2,4-Dihydroxyphenylazo)thiazole; NSC298197; 4-(2-THIAZOLYLAZO) RESORCINOL; NSC 298197; SCHEMBL1683188; CHEMBL1433124; CHEMBL4296835; HMS2862H16; CAA24646; ZINC18205237; ZINC95932532; 4-(2-Thiazolylazo)resorcinol, 97%; AKOS015903424; AKOS030228182; ZINC100019645; ZINC100798681; ZINC253979498; MCULE-6831628850; NSC-298197; NCGC00246782-01; AS-64484; SMR000528892; DB-045929; FT-0616562; T70594; A816216; J-014727; 4-[(E)-1,3-Thiazol-2-yldiazenyl]-1,3-benzenediol #; 4-[(1E)-2-(1,3-thiazol-2-yl)diazen-1-yl]benzene-1,3-diol; (4E)-3-hydroxy-4-(thiazol-2-ylhydrazono)cyclohexa-2,5-dien-1-one; 3-hydroxy-4-(1,3-thiazol-2-ylhydrazono)cyclohexa-2,5-dien-1-one; 96627-60-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	298197	.	.	.	.	221.24	C9H7N3O2S	106	239	2.4	15	2	6	2	"InChI=1S/C9H7N3O2S/c13-6-1-2-7(8(14)5-6)11-12-9-10-3-4-15-9/h1-5,13-14H"	C1=CC(=C(C=C1O)O)N=NC2=NC=CS2	SHNIKUXMZFPPCS-UHFFFAOYSA-N
DG50652	"2,6-Dichloro-7-methylpurine"	75281	"2,6-Dichloro-7-methylpurine; 2273-93-0; 2,6-Dichloro-7-methyl-7H-purine; 7H-Purine, 2,6-dichloro-7-methyl-; Purine, 2,6-dichloro-7-methyl-; MLS002638028; MFCD00039690; NSC 7853; BRN 0174289; NSC7853; 5-26-11-00258 (Beilstein Handbook Reference); Purine,6-dichloro-7-methyl-; SCHEMBL183091; CHEMBL1707176; DTXSID40177265; 7H-Purine,6-dichloro-7-methyl-; HMS3093O20; 2,6 dichloro-7-methyl-7H-purine; 7-methyl-2,6-dichloro-7H-purine; ACT05795; AMY20143; NSC-7853; ZINC1581332; STK869238; 2,6-bis(chloranyl)-7-methyl-purine; AKOS005263779; CS-W002180; DS-0931; MCULE-9790728661; SMR001547530; SY008155; U940; DB-005886; FT-0601217; 2,6-Dichloro-7-methyl-7H-purine, AldrichCPR; 273D930; A816332; AG-687/20226061; W-206779"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7853	.	.	.	.	203.03	C6H4Cl2N4	43.6	179	2	12	0	3	0	"InChI=1S/C6H4Cl2N4/c1-12-2-9-5-3(12)4(7)10-6(8)11-5/h2H,1H3"	CN1C=NC2=C1C(=NC(=N2)Cl)Cl	HVMUWHZAZGTMJK-UHFFFAOYSA-N
DG50653	"1H-Pyrazolo[3,4-d]pyrimidin-4-amine"	75420	"1H-Pyrazolo[3,4-d]pyrimidin-4-amine; 2380-63-4; 4-Aminopyrazolo[3,4-d]pyrimidine; 4-Amino-1H-pyrazolo[3,4-D]pyrimidine; Pyrazoloadenine; 4-Aminopyrazolopyrimidine; 1H-Pyrazolo[3,4-d]pyrimidin-4-ylamine; 4-Aminopyrazolo(3,4-d)pyrimidine; 4 APP; 4-App; 8-Aza-7-deazaadenine; 2H-Pyrazolo[3,4-d]pyrimidin-4-amine; 64834-00-0; 4-Aminopyrazole(3,4-d)pyrimidine; NSC 1393; UNII-0356MAT9LX; 1H-Pyrazolo(3,4-d)pyrimidin-4-amine; 0356MAT9LX; CHEMBL388593; 4-aminopyrazolo-(3,4-d)pyrimidine; 4-amino-pyrazolo(3,4-D)pyrimidine; MFCD00005688; 1H-Pyrazolo(3,4-d)pyrimidine, 4-amino-; 1H-Pyrazolo[3,4-d]pyrimidine, 4-amino-; 4-Aminopyrazole[3,4-d]pyrimidine; 4-Amino-pyrazolo[3,4-d]pyrimidine; EINECS 219-174-6; BRN 0005824; AI3-52467; TVW; SCHEMBL11362; BIDD:GT0454; DTXSID3062362; NSC1393; 4-aminopyrazolo[5,4-d]pyrimidine; Pyrazolo(3,4-d)pyrimidin-4-amine; ALBB-025758; BCP01216; CS-D1726; NSC-1393; BBL002049; BDBM50208876; STK803066; ZINC13542589; AKOS004910187; AB00505; AC-8162; AT24508; MCULE-9994145079; QC-6915; SB12011; 1H-pyrazolo[3, 4-d]pyrimidin-4-amine; 4-Amino-1,2,5,7-tetraaza-1H-indene; 4-Aminopyrazolo[3,4-d]pyrimidine, 98%; BP-12357; SY007560; TS-00024; 2~{H}-pyrazolo[3,4-d]pyrimidin-4-amine; DB-045158; DB-073540; A4965; AM20090259; FT-0617604; FT-0740764; X4808; Y5081; 1H-PYRAZOLO[3,4-D]PYRIMIDINE-4-YLAMINE; A814399; AB-323/25048512; W-200546; W-201772; Q27247530; Z57101323; F9995-0069"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1393	.	.	.	.	135.13	C5H5N5	80.5	127	-0.2	10	2	4	0	"InChI=1S/C5H5N5/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H3,6,7,8,9,10)"	C1=NNC2=NC=NC(=C21)N	LHCPRYRLDOSKHK-UHFFFAOYSA-N
DG50654	3-Amino-7-(dimethylamino)-5-phenylphenazinium chloride	75442	"Safranin bluish; Basic Violet 8; 2390-56-9; Safranine Bluish; Safranine 6B; Safranine 8B; Dimethylphenosafranine; Methylene Violet BN; 3-Amino-7-(dimethylamino)-5-phenylphenazinium chloride; C.I. Basic Violet 5; Phenosafranine, dimethyl-; C.I. 50205; 8004-94-2; Phenazinium, 3-amino-7-(dimethylamino)-5-phenyl-, chloride; 2-N,2-N-dimethyl-10-phenylphenazin-10-ium-2,8-diamine;chloride; Phenazinium,2-amino-8-(dimethylamino)-10-phenyl-, chloride (1:1); Phenazinium, 2-amino-8-(dimethylamino)-10-phenyl-, chloride (1:1); Basic Violet 5; Methylene Violet 3RD; NSC 9404; NSC 9594; EINECS 219-229-4; Phenazinium; 3-amino-7-(dimethylamino)-5-phenylphenazin-5-ium chloride; CHEMBL461521; SCHEMBL6257184; NSC9404; NSC9594; NSC-9404; NSC-9594; MFCD00059988; D89104"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9404	.	.	.	.	350.8	C20H19ClN4	46	420	.	25	1	4	2	"InChI=1S/C20H18N4.ClH/c1-23(2)16-9-11-18-20(13-16)24(15-6-4-3-5-7-15)19-12-14(21)8-10-17(19)22-18;/h3-13,21H,1-2H3;1H"	CN(C)C1=CC2=[N+](C3=C(C=CC(=C3)N)N=C2C=C1)C4=CC=CC=C4.[Cl-]	SQHWUYVHKRVCMD-UHFFFAOYSA-N
DG50655	Basic blue 7	75444	"Basic blue 7; Victoria Pure Blue BO; 2390-60-5; Victoria blue BO; C.I. Basic Blue 7; Eljon Blue Toner; Silosuper Blue B; Victoria Blue FBO; Victoria Pure Blue; Victoria Pure Blue RB; Aizen Victoria Blue BO; Calcozine Pure Blue BO; Victoria Pure Blue BGO; Victoria Pure Blue BOC; Victoria Pure Blue BOD; Victoria Pure Blue BON; Victoria Pure Blue BOP; Victoria Pure Blue FBO; Victoria Pure Lake Blue; Hidaco Victoria Blue BGO; Sicilian Blue X-2758; Victoria Blue BON 110; Brilliant Victoria Blue RB; Brilliant Victoria Blue RS; Victoria Pure Ink Blue BO; Victoria Blue, Green Shade; Victoria Pure Lake Blue BO; Mitsui Victoria Pure Blue BO; Aizen Victoria Pure Blue BOH; No. 3772 Forthbrite Blue B; UNII-30F6F48H95; C.I. 42595; Victoria Pure Blue BO CI 42595; MFCD00011877; 30F6F48H95; [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium;chloride; Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride; Ethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethylamino)-1-naphthalenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride; N-(4-((4-(Diethylamino)phenyl)(4-(ethylamino)naphthalen-1-yl)methylene)cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium chloride; C33H40N3.Cl; Ethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethylamino)-1-naphthalenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride (1:1); Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1); EINECS 219-232-0; NSC 51534; VB-BO; DSSTox_CID_18888; DSSTox_RID_79417; DSSTox_GSID_38888; SCHEMBL23596; SCHEMBL456095; CHEMBL3182706; DTXSID5038888; C.I. Basic Blue 7 (8CI); CAA39060; NSC51534; Tox21_301536; NSC-51534; AKOS015901188; AKOS015903549; MCULE-4557940631; NCGC00255579-01; CI 42595; T290; CAS-2390-60-5; Victoria Pure Blue BO (C.I. 42595); Victoria Pure Blue BO, analytical standard; Victoria Pure Blue BO, Dye content 90 %; B1301; FT-0622579; D88781; Q421673; J-015266; [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium,chloride; (4-(4-(Diethylamino)-alpha-(4-(ethylamino)-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium chloride; [4-[[4-(diethylamino)phenyl]-[4-(ethylamino)naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium;chloride; [4-[4-(diethylamino)- -[4-(ethylamino)-1-naphthyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium chloride; Ethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethylamino)-1-naphthalenyl)meth- ylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride; N-(4-((4-(Diethylamino)phenyl)(4-(ethylamino)-1-naphthalenyl)meth- ylene)-2,5-cyclohexadien-1-ylidene)-N-ethylethanaminium chloride; N-(4-((4-(diethylamino)phenyl)(4-(ethylamino)naphthalen-1-yl)methylene)cyclohexa-2,5-dienylidene)-N-ethylethanaminium chloride; N-(4-{[4-(diethylamino)phenyl][4-(ethylamino)naphthalen-1-yl]methylidene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51534	.	.	.	.	514.1	C33H40ClN3	20.4	722	.	37	1	3	9	"InChI=1S/C33H39N3.ClH/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5;/h11-24H,6-10H2,1-5H3;1H"	CC[NH+]=C1C=CC(=C(C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC)C4=CC=CC=C14.[Cl-]	ROVRRJSRRSGUOL-UHFFFAOYSA-N
DG50656	1-(1-Naphthylazo)-2-naphthol	75859	"2653-64-7; 1-(1-Naphthylazo)-2-naphthol; Solvent Red 4; 2-Naphthalenol, 1-(1-naphthalenylazo)-; Fat Bordeaux; Pigment Bordeaux; Grasal Red; Fat Bordeaux R; Waxoline Red BN; Oil Dark Red; Pigment Red RLP; Autol Red RLP; C.I. Pigment Red 40; Bordeaux P51N; Bordeaux P51R; Lutetia Bordeaux B; Pigment Bordeaux N; Somalia Bordeaux R; Pigment Red 40; Sudan Red 2R; Oil Red IIR; Organol Mahogany TJ; Oil Red 2R; Red 2R; C.I. 12170; UNII-EVE9WNU99R; Dainichi Naphthylamine Bordeaux 5B; C.I. Solvent Red 4; EVE9WNU99R; NSC45575; 1-(Naphthalen-1-yldiazenyl)naphthalen-2-ol; Naphthylamine Bordeaux (diluted with Barium Sulfate); Oil Red (VAN); 2-Naphthalenol, 1-(2-(1-naphthalenyl)diazenyl)-; 2-Naphthalenol, 1-[2-(1-naphthalenyl)diazenyl]-; hydroxyazonaphthalene; EINECS 220-176-4; NSC 45575; NSC 47713; Naphthylamine Bordeaux; NCIMech_000304; SCHEMBL6862789; CHEMBL1994043; CHEMBL2000781; DTXSID3062576; SCHEMBL10997729; SCHEMBL11876684; C.I. Solvent Red 4 (8CI); CAA65364; NSC47713; CCG-35432; NSC-45575; NSC-47713; ZINC17303134; ZINC102958348; NCI60_004070; NCI60_004125; C.I.12170; N0307; (E)-1-(Naphthalen-1-yldiazenyl)naphthalen-2-ol; 1-[2-(1-Naphthyl)hydrazono]naphthalene-2(1H)-one; Q27277376; 40339-37-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	47713	.	.	.	.	298.3	C20H14N2O	45	424	5.8	23	1	3	2	"InChI=1S/C20H14N2O/c23-19-13-12-15-7-2-4-10-17(15)20(19)22-21-18-11-5-8-14-6-1-3-9-16(14)18/h1-13,23H"	C1=CC=C2C(=C1)C=CC=C2N=NC3=C(C=CC4=CC=CC=C43)O	CYZWPZHRSZNWLS-UHFFFAOYSA-N
DG50657	Methylene green	75889	"Methylene green; 2679-01-8; Basic Green 5; C.I. Basic Green 5; 3,7-Bis(dimethylamino)-4-nitrophenothiazin-5-ium chloride; UNII-F1IO2ZP7BU; F1IO2ZP7BU; Phenothiazin-5-ium, 3,7-bis(dimethylamino)-4-nitro-, chloride; [7-(dimethylamino)-4-nitrophenothiazin-3-ylidene]-dimethylazanium;chloride; METHYLENEGREEN; C.I. Basic Green 5 (VAN); Methylene green (VAN); C.I. 52020; NSC 9403; EINECS 220-231-2; NSC 367083; SCHEMBL43823; SCHEMBL17591862; CHEBI:87675; DTXSID70949598; NSC9403; NSC-9403; NSC367083; 7-(Dimethylamino)-6-nitro-3H-phenothiazin-3-ylidene)dimethylammonium chloride; AKOS024375417; AKOS025311082; MCULE-8429655307; NSC-367083; M677; J-016547; Q10858041; WLN: T C666 BN ISJ FN1&1 GNW LN1&1 &Q &G; Phenothiazin-5-ium,7-bis(dimethylamino)-4-nitro-, chloride; 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRAZINE-2-CARBOXYLICACID"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9403	.	.	.	.	364.9	C16H17ClN4O2S	89.7	654	.	24	0	6	1	"InChI=1S/C16H17N4O2S.ClH/c1-18(2)10-5-6-11-14(9-10)23-16-12(17-11)7-8-13(19(3)4)15(16)20(21)22;/h5-9H,1-4H3;1H/q+1;/p-1"	CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C(=C3S2)[N+](=O)[O-].[Cl-]	YYGBVRCTHASBKD-UHFFFAOYSA-M
DG50658	Janus green B	76123	"Janus green B; 2869-83-2; Janus Green V; JanusGreenB; UNII-B9KQ101KHX; C.I. 11050; Janus green B, > 60% dye content; MFCD00011758; B9KQ101KHX; 3-(Diethylamino)-7-((p-(dimethylamino)phenyl)azo)-5-phenylphenazinium chloride; Janus Green B (C.I. 11050); (E)-3-(diethylamino)-7-((4-(dimethylamino)phenyl)diazenyl)-5-phenylphenazin-5-ium chloride; 3-(Diethylamino)-7-((4-(dimethylamino)phenyl)azo)-5-phenylphenazinium chloride; Diazin Green S; Phenazinium, 3-(diethylamino)-7-((4-(dimethylamino)phenyl)azo)-5-phenyl-, chloride; Phenazinium, 3-(diethylamino)-7-[2-[4-(dimethylamino)phenyl]diazenyl]-5-phenyl-, chloride (1:1); Union Green B; Phenazinium, 3-(diethylamino)-7-[[4-(dimethylamino)phenyl]azo]-5-phenyl-, chloride; EINECS 220-695-6; NSC 13986; Janusgreen B; Phenazinium, 3-(diethylamino)-7-(2-(4-(dimethylamino)phenyl)diazenyl)-5-phenyl-, chloride (1:1); Janus Green B chloride; C30H31ClN6; SCHEMBL285454; CHEBI:21184; DTXSID80883898; AMY22392; NSC13986; NSC-13986; 3-Diethylamino-7-(4-dimethylaminophenylazo)-5-phenylphenazinium chloride; AKOS015902962; MCULE-8496979097; Phenazinium, 3-(diethylamino)-7-((p-(dimethylamino)phenyl)azo)-5-phenyl-, chloride; M594; FT-0627546; J0002; D91221; Q418288; J-017200; 3-(Diethylamino)-7-((4-(dimethylamino)phenyl)diazenyl)-5-phenylphenazin-5-ium chloride; 3-(diethylamino)-7-{(E)-[4-(dimethylamino)phenyl]diazenyl}-5-phenylphenazin-5-ium chloride; Janus Green B, certified by the Biological Stain Commission, Dye content 65 %; 8-[[4-(dimethylamino)phenyl]diazenyl]-N,N-diethyl-10-phenylphenazin-10-ium-2-amine;chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13986	.	.	.	.	511.1	C30H31ClN6	48	694	.	37	0	6	7	"InChI=1S/C30H31N6.ClH/c1-5-35(6-2)26-17-19-28-30(21-26)36(25-10-8-7-9-11-25)29-20-23(14-18-27(29)31-28)33-32-22-12-15-24(16-13-22)34(3)4;/h7-21H,5-6H2,1-4H3;1H/q+1;/p-1"	CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N=NC4=CC=C(C=C4)N(C)C)N=C2C=C1)C5=CC=CC=C5.[Cl-]	XXACTDWGHQXLGW-UHFFFAOYSA-M
DG50659	1-(Iodomethyl)-4-nitrobenzene	76598	"1-(Iodomethyl)-4-nitrobenzene; 3145-86-6; p-Nitrobenzyl iodide; alpha-Iodo-p-nitrotoluene; Benzene, 1-(iodomethyl)-4-nitro-; 4-NITROBENZYL IODIDE; 1-Iodomethyl-4-nitrobenzene; Benzene,1-(iodomethyl)-4-nitro-; EINECS 221-557-8; NSC401699; AI3-50469; 1-Iodomethyl-4-nitro-benzene; SCHEMBL173192; ALPHA-IODO-4-NITROTOLUENE; DTXSID60185367; 1-(Iodomethyl)-4-nitrobenzene #; ZINC1594292; MFCD00024777; AKOS014117576; AS-9050; MCULE-1754990002; NSC 401699; NSC-401699; DB-048040; FT-0634694"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401699	.	.	.	.	263.03	C7H6INO2	45.8	138	3.2	11	0	2	1	"InChI=1S/C7H6INO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2"	C1=CC(=CC=C1CI)[N+](=O)[O-]	INKNHBKFSPIMKS-UHFFFAOYSA-N
DG50660	"Allyl 2,4,6-tribromophenyl ether"	76767	"3278-89-5; Allyl 2,4,6-tribromophenyl ether; 2-ALLYLOXY-1,3,5-TRIBROMOBENZENE; 1,3,5-tribromo-2-prop-2-enoxybenzene; 1,3,5-Tribromo-2-(prop-2-en-1-yloxy)benzene; 2-(Allyloxy)-1,3,5-tribromobenzene; UNII-2QB5393K07; 2,4,6-Tribromophenylallyl ether; 2,4,6-tribromophenyl allyl ether; Ether, allyl 2,4,6-tribromophenyl; NSC 35767; Benzene, 1,3,5-tribromo-2-(2-propen-1-yloxy)-; Benzene, 1,3,5-tribromo-2-(2-propenyloxy)-; 1,3,5-Tribromo-2-(2-propen-1-yloxy)-benzene; 2QB5393K07; TBP-AE; NSC35767; EINECS 221-913-2; Great lakes PHE-65; Ether,4,6-tribromophenyl; DSSTox_CID_24918; DSSTox_RID_80585; DSSTox_GSID_44918; SCHEMBL42433; 2,6-Tribromophenylallyl ether; Allyl 2,6-tribromophenyl ether; CHEMBL3188631; DTXSID3044918; 2,4,6-Tribromophenoxypropene-2; ZINC1668379; Tox21_301711; FR-913; MFCD00017773; NSC-35767; Tribromophenol allyl ether (Related); AKOS015889437; Tribromo phenyl allyl ether (Related); MCULE-5202572014; 2-(Allyloxy)-1,3,5-tribromobenzene #; NCGC00256197-01; Allyl 2,4,6-tribromophenyl ether, 98%; CAS-3278-89-5; Benzene,3,5-tribromo-2-(2-propenyloxy)-; FT-0634756; E79371; J-018877; Q27255479"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35767	.	.	.	.	370.86	C9H7Br3O	9.2	162	4.7	13	0	1	3	"InChI=1S/C9H7Br3O/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h2,4-5H,1,3H2"	C=CCOC1=C(C=C(C=C1Br)Br)Br	RZLLIOPGUFOWOD-UHFFFAOYSA-N
DG50661	Phenyl(tribromomethyl)mercury	76801	"Phenyl(tribromomethyl)mercury; 3294-60-8; EINECS 221-963-5; NSC173931; SCHEMBL6968552; Mercury, phenyl(tribromomethyl)-; DTXSID20186592; NSC 173931; NSC-173931; NCI60_001412"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	173931	.	.	.	.	529.42	C7H5Br3Hg	0	115	.	11	0	0	1	InChI=1S/C6H5.CBr3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;;	C1=CC=C(C=C1)[Hg]C(Br)(Br)Br	PLHSKXBFZPAQOD-UHFFFAOYSA-N
DG50662	Bendamustine hydrochloride	77082	"Bendamustine hydrochloride; 3543-75-7; Bendamustine HCl; Treanda; Ribomustin; Cytostasan; Bendamustin hydrochloride; SDX-105; IMET 3393; 4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid hydrochloride; Treakisym; SyB L-0501; Bendamustine (hydrochloride); Bendeka; UNII-981Y8SX18M; 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid hydrochloride; SDX 105; 3543-75-7 (HCl); 981Y8SX18M; Ribomustine; Levact; 4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo-[d]imidazol-2-yl)butanoic acid hydrochloride; 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid;hydrochloride; NSC-138783; 97832-05-8; Treanda (TN); Bendit; CCRIS 1864; NSC 138783; Cytostosan; Innomustine; Symbenda; Benda; ZIMET 33/93; Ribomustin (TN); Bendamustine Hydrochloride Injection; Inno-P08001; gamma(1-Methyl-5-bis(beta-chloraethyl)aminobenzimidazoyl-2)buttersaeurehydrochlorid [German]; SCHEMBL18843; MLS006010156; C16H22Cl3N3O2; SDX-105 (Cytostasane) HCl; CHEMBL1201734; SYBL-0501; DTXSID40188912; BCPP000348; BCP02107; HY-B0077; Tox21_500623; MFCD01658758; MFCD16879055; NSC138783; s1212; AKOS015951203; AC-1619; ACN-040196; BCP9000390; Bendamustine hydrochloride (JAN/USAN); Bendamustine hydrochloride [USAN:JAN]; CCG-221927; CS-1771; EP-3101; LP00623; SB17462; 2-Benzimidazolinebutryric acid, 1-methyl-5-bis(2-chloroethyl)amino-, hydrochloride; gamma(1-Methyl-5-bis(beta-chloraethyl)aminobenzimidazoyl-2)buttersaeurehydrochlorid; NCGC00261308-01; AS-15856; BB164239; BP-25399; R111; SMR004234484; Bendamustine HCL (SDX-105, Cytostasane); 2-Benzimidazolinebutryric acid, hydrochloride; AM20090666; B4033; FT-0650624; FT-0696296; SW219266-1; 2-Benzimidazolebutyric acid, monohydrochloride; D07085; WLN: T56 BN DNJ B1 C3VQ GN2G2G &GH; 543B757; Q27272066; Fmoc-(S)-3-Amino-3-(3-trifluoromethyl-phenyl)-propionicacid; 1H-Benzimidazole-2-butanoic acid, 5-[bis(2-chloroethyl)amino]-1-methyl monohydrochloride; 5-[Bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid hydrochloride; 5-[Bis(2-chloroethyl)amino]-1-methylbenzimidazole-2-butyric Acid Hydrochloride; 1H-Benzimidazole-2-butanoic acid, 5-(bis(2-chloroethyl)amino)-1-methyl-, monohydrochloride (9CI); 1H-Benzimidazole-2-butanoic acid, 5-[bis(2-chloroethyl)amino]-1-methyl-, hydrochloride (1:1); 2-Benzimidazolebutyric acid, 5-(bis(2-chloroethyl)amino)-1-methyl-, monohydrochloride (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	138783	.	.	.	.	394.7	C16H22Cl3N3O2	58.4	380	.	24	2	4	9	"InChI=1S/C16H21Cl2N3O2.ClH/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23;/h5-6,11H,2-4,7-10H2,1H3,(H,22,23);1H"	CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O.Cl	ZHSKUOZOLHMKEA-UHFFFAOYSA-N
DG50663	"2,4,6-Tris(2-pyridyl)-s-triazine"	77258	"3682-35-7; TPTZ; 2,4,6-Tri(2-pyridyl)-1,3,5-triazine; 2,4,6-Tris(2-pyridyl)-s-triazine; 2,4,6-Tripyridyl-s-triazine; 2,4,6-Tri(2-pyridyl)-s-triazine; 1,3,5-Triazine, 2,4,6-tri-2-pyridinyl-; 2,4,6-Tris(2-pyridyl)-1,3,5-triazine; Terpyridyl-s-triazine; TPTZ (iron reagent); Tri-2-pyridyl-s-triazine; s-Triazine, tri-2-pyridyl-; NSC 112125; 2,4,6-tripyridin-2-yl-1,3,5-triazine; 2,4,6-Tri-2-pyridinyl-1,3,5-triazine; UNII-YG57D9P2VY; 2,4,6-Tripyridyl-1,3,5-triazine; 2,4,6-Tris(2-pyridyl)-5-triazine; s-Triazine, 2,4,6-tri-2-pyridyl-; MLS000737726; 2,4,6-tri(pyridin-2-yl)-1,3,5-triazine; MFCD00006045; YG57D9P2VY; C18H12N6; 2,4,6-tri-2-pyridyl-1,3,5-triazine; SMR000444410; 2,4,6-Tri(2-pyridyl)-1,3,5-triazine (TPTZ); EINECS 222-965-9; BRN 0282581; AI3-51067; tris(pyridin-2-yl)-1,3,5-triazine; 2,6-Tripyridyl-s-triazine; YSWG226; 5-26-19-00396 (Beilstein Handbook Reference); cid_77258; SCHEMBL322756; 2,4,6-Tripyridyl-sym-triazine; CHEMBL1450775; DTXSID7063132; SCHEMBL17257399; BDBM52829; ZINC39221; 2,6-Tri(2-pyridyl)-s-triazine; s-Triazine,4,6-tri-2-pyridyl-; 2,6-Tripyridyl-1,3,5-triazine; 2,6-Tris(2-pyridyl)-s-triazine; HMS2792B08; 2,6-Tri(2'-pyridyl)-s-triazine; 2,6-Tris(2-pyridyl)-5-triazine; AMY23191; NSC112125; 2,4,6-Tri(2'-pyridyl)-s-triazine; 2,4,6-Tri-(2-pyridyl)-s-triazine; AKOS004910369; 2,4,6-Tris(2-pyridyl)-sym-triazine; MCULE-1759055454; NSC-112125; SB66976; s10117; 2,6-Tris(2-pyridyl)-1,3,5-triazine; NCGC00246952-01; AS-18979; SY012695; 1,5-Triazine, 2,4,6-tri-2-pyridinyl-; 2,4,6-tri-(2-Pyridyl)-1,3,5-triazine; 2,4,6-tris(2-pyridinyl)-1,3,5-triazine; 2,4,6-Tris(2-pyridyl)-s-triazine, 98%; CS-0010133; FT-0609831; T0530; X3676; 2,4,6-Tri(2-pyridinyl)-1,3,5-triazine #; T-7000; T-7001; A855578; 2,4,6-TRI(2-PYRIDYL)-1,3,5-TRIAZINE,; J-610025; Q27294508; 2,4,6-Tri(2-pyridyl)-1,3,5-triazine;2,4,6-Tri(2-pyridyl)-1,3,5-triazine (TPTZ); 2,4,6-Tris(2-pyridyl)-s-triazine, for spectrophotometric det. (of Fe), >=98%; 2,4,6-Tris(2-pyridyl)-s-triazine, for spectrophotometric det. of Fe, >=99.0%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112125	.	.	.	.	312.3	C18H12N6	77.3	323	2.1	24	0	6	3	InChI=1S/C18H12N6/c1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15/h1-12H	C1=CC=NC(=C1)C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4	KMVWNDHKTPHDMT-UHFFFAOYSA-N
DG50664	"3,4-Dichlorobenzyltriphenylphosphonium chloride"	77265	"Eulan NK; Eulan NKU; Oilan NKF; 3,4-Dichlorobenzyltriphenylphosphonium chloride; 3687-70-5; Eulan NK, Eulan NKFW; (3,4-Dichlorobenzyl)triphenylphosphonium chloride; UNII-3WM6RS2KA6; 3WM6RS2KA6; (3,4-dichlorophenyl)methyl-triphenylphosphanium chloride; (3,4-dichlorophenyl)methyl-triphenylphosphanium;chloride; NSC 71536; 3,4-Dichlorbenzyl-trifenylfosfoniumchlorid [Czech]; Phosphonium, (3,4-dichlorobenzyl)triphenyl-, chloride; 3,4-Dichlorbenzyl-trifenylfosfoniumchlorid; SCHEMBL7338415; CHEMBL2005194; DTXSID70958069; WLN: GR BG D1PR&R&R &G; NSC-71536; Q27258149; [(3,4-Dichlorophenyl)methyl](triphenyl)phosphanium chloride; Phosphonium, ((3,4-dichlorophenyl)methyl)triphenyl-, chloride (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71536	.	.	.	.	457.8	C25H20Cl3P	0	418	.	29	0	1	5	"InChI=1S/C25H20Cl2P.ClH/c26-24-17-16-20(18-25(24)27)19-28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-18H,19H2;1H/q+1;/p-1"	C1=CC=C(C=C1)[P+](CC2=CC(=C(C=C2)Cl)Cl)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]	LZXHHNKULPHARO-UHFFFAOYSA-M
DG50665	n-Decylaminoethanethiosulfuric acid	77356	"n-Decylaminoethanethiosulfuric acid; WR 1607; 2-(1-Decylamino)ethanethiosulfuric acid; 2-(n-Decylamino)-ethanethiosulfuric acid; 3752-51-0; Thiosulfuric acid, S-[2-(decylamino)ethyl] ester; Ethanethiol, 2-decylamino-, hydrogen sulfate (ester); NSC 320931; BRN 2370356; 2-Decylaminoethanethiol hydrogen sulfate (ester); Ethanethiol, 2-(decylamino)-, hydrogen sulfate (ester); WLN: WSQS2M10; 2-Decylaminoethanethiol sulfate; DTXSID70190962; Thiosulfuric acid (H2S2O3), S-[2-(decylamino)ethyl] ester; NSC320931; ZINC95794877; NSC-320931; 2-(Decylamino)ethanethiol hydrogen sulfate (ester); Thiosulfuric acid, S-(2-(decylamino)ethyl) ester (8CI); Thiosulfuric acid(H2S2O3), S-[2-(decylamino)ethyl] ester; Thiosulfuric acid (H2S2O3), S-(2-(decylamino)ethyl) ester (9CI); Thiosulfuric acid(H2S2O3), S-(2-(decylamino)ethyl) ester (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	320931	.	.	.	.	297.5	C12H27NO3S2	100	263	1.3	18	2	5	13	"InChI=1S/C12H27NO3S2/c1-2-3-4-5-6-7-8-9-10-13-11-12-17-18(14,15)16/h13H,2-12H2,1H3,(H,14,15,16)"	CCCCCCCCCCNCCSS(=O)(=O)O	BWZPDRUAQQXBIL-UHFFFAOYSA-N
DG50666	Arsenobenzene	78277	4519-32-8; Arsenobenzene; Arsenobenzol; Arsenobisbenzene; NSC41373; EINECS 224-845-1; NSC 41373; NSC-41373	.	.	Investigative Drug(s)	Investigative	Small molecular drug	41373	.	.	.	.	304.05	C12H10As2	0	157	.	14	0	0	2	InChI=1S/C12H10As2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H	C1=CC=C(C=C1)[As]=[As]C2=CC=CC=C2	AWYSLGMLVOSVIS-UHFFFAOYSA-N
DG50667	2-Methyl-4-nitroquinoline 1-oxide	78545	2-Methyl-4-nitroquinoline 1-oxide; 4831-62-3; 2-Methyl-4-nitroquinoline-1-oxide; 2-methyl-4-nitro-1-oxidoquinolin-1-ium; 4-Nitroquinaldine N-oxide; 4-Nitroquinaldine-N-oxide; 4-Nitroquinaldine 1-oxide; 2-Methyl-4-nitroquinoline N-oxide; MLS001049303; 2-Methyl-4-nitro-quinoline 1-oxide; SMR000427678; WLN: T66 BNJ BO C1 ENW; cid_78545; SCHEMBL5157864; CHEMBL1364999; BDBM63785; DTXSID40197488; HMS2785O10; NSC19646; ZINC1868576; 2-methyl-4-nitro-1-quinoliniumolate; NSC-19646; NSC144470; AKOS001712642; NSC-144470; NCGC00246402-01; NCGC00246402-02; 2-methyl-4-nitro-1-oxido-quinolin-1-ium; DS-013447; 2-methyl-4-nitro-1-oxidanidyl-quinolin-1-ium; 2-METHYL-4-NITROQUINOLIN-1-IUM-1-OLATE; AB00653988-08; AB00653988-09; SR-01000147504; SR-01000147504-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144470	.	.	.	.	204.18	C10H8N2O3	71.3	254	1.3	15	0	3	0	"InChI=1S/C10H8N2O3/c1-7-6-10(12(14)15)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3"	CC1=[N+](C2=CC=CC=C2C(=C1)[N+](=O)[O-])[O-]	YRPLTHBJMGSMKH-UHFFFAOYSA-N
DG50668	4-(4-Nitrophenylazo)-1-naphthol	79174	"4-(4-Nitrophenylazo)-1-naphthol; 5290-62-0; Magneson II; Magnezon II; 4-((4-Nitrophenyl)diazenyl)naphthalen-1-ol; 1-Naphthalenol, 4-[(4-nitrophenyl)azo]-; NSC 5048; 1-Naphthol, 4-((p-nitrophenyl)azo)-; 4-((p-Nitrophenyl)azo)-1-naphthol; MFCD00003975; 4-((4-Nitrophenyl)azo)-1-naphthol; 1-Naphthalenol, 4-((4-nitrophenyl)azo)-; MLS002637789; 4-[(4-nitrophenyl)diazenyl]naphthalen-1-ol; 4-(p-Nitrophenylazo)-1-naphthol; (E)-4-((4-nitrophenyl)diazenyl)naphthalen-1-ol; 1-Naphthalenol, 4-(2-(4-nitrophenyl)diazenyl)-; 4-[(p-Nitrophenyl)azo]-1-naphthol; 4-[(4-Nitrophenyl)azo]-1-naphthol; 1-Naphthol, 4-[(p-nitrophenyl)azo]-; p-Nitrphenylazo-alpha-naphthol; 1-Naphthalenol, 4-[2-(4-nitrophenyl)diazenyl]-; EINECS 226-129-4; BRN 0961660; 4-((4-Nitrophenyl)azo)-1-naphthalenol; AI3-02917; alpha-Naphthol Magneson; 4-[(4-Nitrophenyl)diazenyl]-1-naphthol; 4-[(E)-(4-nitrophenyl)diazenyl]naphthalen-1-ol; 4-16-00-00224 (Beilstein Handbook Reference); SCHEMBL2374446; CHEMBL1717293; DTXSID7063760; p-Nitrphenylazo-.alpha.-naphthol; (4E)-4-[(4-nitrophenyl)hydrazinylidene]naphthalen-1-one; NSC5048; p-Nitrophenylazo-.alpha.-naphthol; HMS3087A16; NSC-5048; ZINC3861484; 4-Nitrophenylazo-4'-(1-naphthol); STL255982; ZINC12358681; AKOS001482351; AKOS003612897; AKOS028108987; ZINC100007143; ZINC100172097; ZINC100172100; MCULE-8007966120; BS-42453; SMR001547306; DB-052204; FT-0616663; N0134; Z3689; 4-[(E)-(4-Nitrophenyl)diazenyl]-1-naphthol; D91645; A829303; (4E)-4-[(4-nitrophenyl)hydrazinylidene]-1-naphthalenone; 159536-42-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5048	.	.	.	.	293.28	C16H11N3O3	90.8	415	4.4	22	1	5	2	"InChI=1S/C16H11N3O3/c20-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)19(21)22/h1-10,20H"	C1=CC=C2C(=C1)C(=CC=C2O)N=NC3=CC=C(C=C3)[N+](=O)[O-]	MDLLSWJQIIAUQU-UHFFFAOYSA-N
DG50669	"4,4'-Methylenebis(2,6-dimethylphenol)"	79345	"4,4'-Methylenebis(2,6-dimethylphenol); 5384-21-4; 4,4'-Methylenedi-2,6-xylenol; 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol; Phenol, 4,4'-methylenebis[2,6-dimethyl-; Bis(4-hydroxy-3,5-dimethylphenyl)methane; Bis(3,5-dimethyl-4-hydroxyphenyl)methane; 4,4'-Dihydroxy-3,3',5,5'-tetramethyldiphenylmethane; Phenol, 4,4'-methylenebis(2,6-dimethyl-; 4,6-xylenol; 2,6-Xylenol, 4,4'-methylenedi-; EINECS 226-378-9; NSC128403; 4,6-xylenol]; 4,6-dimethylphenol); EC 226-378-9; SCHEMBL68876; CHEMBL593206; DTXSID4063820; AZZWZMUXHALBCQ-UHFFFAOYSA-; 4,4'-Methylenebis[2,6-xylenol]; ZINC2516104; MFCD00055640; AKOS015839108; 4,3',5,5'-tetramethyldiphenylmethane; MCULE-8100762857; NSC 128403; NSC-128403; Phenol,4'-methylenebis[2,6-dimethyl-; 4,4\\'-Methylenebis(2,6-dimethylphenol); AS-63207; CS-0207078; M1099; F15423; 2,2',6,6'-Tetramethyl-4,4'-methylenediphenol; 3,5,5'-Tetramethyl-4,4'-dihydroxydiphenylmethane; 4-[(4-hydroxyphenyl)methyl]-2,6-dimethyl-phenol; A829793; AB-131/40897252; 3,3,5,5-Tetramethyl-4,4-dihydroxy-diphenylmethane; W-110030; 3,3',5,5'-Tetramethyl-4,4'-dihydroxydiphenylmethane; 4-(4-hydroxy-3,5-dimethylbenzyl)-2,6-dimethylphenol; Q65643373"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128403	.	.	.	.	256.339	C17H20O2	40.5	239	4.6	19	2	2	2	"InChI=1S/C17H20O2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8,18-19H,9H2,1-4H3"	CC1=CC(=CC(=C1O)C)CC2=CC(=C(C(=C2)C)O)C	AZZWZMUXHALBCQ-UHFFFAOYSA-N
DG50670	Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole	79411	"Vancide 26; 5406-97-3; Vancide 26 EC; Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole; UNII-I79832L455; Lauryl pyridinium salt of 5-chloro-2-mercaptobenzothiazole; I79832L455; Laurylpyridinium 5-chloro-2-mercaptobenzothiazole; N-Laurylpyridinium 5-chlorobenzothiazole-2-thiolate; 1-dodecylpiperidine, 5-chloro-2-thioxo-2,4-dihydrobenzo[d]thiazol-4-ide salt; Caswell No. 522; 1-Dodecylpyridinium 5-chloro-2-benzothiazolyl sulfide; 5-Chloro-2-mercaptobenzothiazole 1-laurylpyridinium salt; DTXSID50896854; NSC5337; 5-chloro-1,3-benzothiazole-2-thiolate; 1-dodecylpyridin-1-ium; NSC 5337; NSC-5337; Pyridinium, 1-dodecyl-, salt with 5-chloro-2(3H)-benzothiazolethione (1:1); EPA Pesticide Chemical Code 051703; Q27280537; 5-Chloro-2-mercaptobenzothiazole, lauryl pyridinium salt; Pyridinium, salt with 5-chloro-2-benzothiazolethiol (1:1); 5-chloro-1,3-benzothiazole-2-thiolate;1-dodecylpyridin-1-ium; Pyridinium, salt with 5-chloro-2(3H)-benzothiazolethione (1:1); Pyridinium, 1-dodecyl-, salt with 5-chloro-2-benzothiazolethiol (1:1) (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5337	.	.	.	.	449.1	C24H33ClN2S2	46	316	.	29	0	3	11	"InChI=1S/C17H30N.C7H4ClNS2/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;8-4-1-2-6-5(3-4)9-7(10)11-6/h11,13-14,16-17H,2-10,12,15H2,1H3;1-3H,(H,9,10)/q+1;/p-1"	CCCCCCCCCCCC[N+]1=CC=CC=C1.C1=CC2=C(C=C1Cl)N=C(S2)[S-]	NPUUGQIQOUWACG-UHFFFAOYSA-M
DG50671	"2-Naphthalenecarboxamide, N-(3-chlorophenyl)-3-hydroxy-"	79513	"5442-40-0; N-(3-Chlorophenyl)-3-hydroxynaphthalene-2-carboxamide; 2-Naphthalenecarboxamide, N-(3-chlorophenyl)-3-hydroxy-; TCMDC-124171; C.I. Azoic Coupling Component 22; GNF-Pf-2634; C.I. 37511; 2-Naphthanilide, 3'-chloro-3-hydroxy-; NSC 12969; EINECS 226-636-0; NSC 50683; 2-HYDROXY-3-NAPHTHOYL-M-CHLOROANILIDE; Oprea1_159669; Oprea1_571684; CHEMBL528589; SCHEMBL2129113; DTXSID8063888; ZINC247780; 3-Hydroxy-naphthalene-2-carboxylic acid (3-chloro-phenyl)-amide; NSC12969; NSC50683; NSC-12969; NSC-50683; AKOS000592805; CCG-275204; MCULE-2787460267; C.I.37511; N-(3-Chlorophenyl)-3-hydroxy-2-naphthamide; SJ000142233; 2-Naphthanilide, 3'-chloro-3-hydroxy- (8CI); SR-01000400032; SR-01000400032-1; N-(3-chlorophenyl)-3-hydroxy-naphthalene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12969	.	.	.	.	297.7	C17H12ClNO2	49.3	376	4.8	21	2	2	2	"InChI=1S/C17H12ClNO2/c18-13-6-3-7-14(10-13)19-17(21)15-8-11-4-1-2-5-12(11)9-16(15)20/h1-10,20H,(H,19,21)"	C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC(=CC=C3)Cl)O	CUTAMZZNECWJOY-UHFFFAOYSA-N
DG50672	"1,4-Diacetoxynaphthalene"	79775	"1,4-Diacetoxynaphthalene; 5697-00-7; Naphthalene-1,4-diyl diacetate; (4-acetyloxynaphthalen-1-yl) acetate; 1,4-Naphthalenediol, diacetate; 1,4-Naphthalenediol, 1,4-diacetate; UNII-5ABG24JW5W; 5ABG24JW5W; NSC30652; EINECS 227-172-1; NSC 30652; SCHEMBL4444465; DTXSID40884184; ZINC1661219; NSC-30652; STK398369; 4-(Acetyloxy)-1-naphthyl acetate #; AKOS004907705; MCULE-1262130552; NCGC00341942-01; AB01334845-02; AB01334845-03"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30652	.	.	.	.	244.24	C14H12O4	52.6	294	2.5	18	0	4	4	"InChI=1S/C14H12O4/c1-9(15)17-13-7-8-14(18-10(2)16)12-6-4-3-5-11(12)13/h3-8H,1-2H3"	CC(=O)OC1=CC=C(C2=CC=CC=C21)OC(=O)C	SFAVMNCWIUOBCX-UHFFFAOYSA-N
DG50673	"1,2-Ethylenediphosphonic acid"	80247	"1,2-Ethylenediphosphonic acid; 6145-31-9; 2-phosphonoethylphosphonic acid; 1,2-Ethanediphosphonic acid; Phosphonic acid, ethylenedi-; 1,2-Ethanebisphosphonic acid; Phosphonic acid, 1,2-ethanediylbis-; Ethane-1,2-diyldiphosphonic acid; Ethylenediphosphonic acid; NSC40837; NSC-40837; 1,2-Ethanediylbisphosphonic acid; BRN 1780250; AI3-17466; Ethylenebisphosphonic acid; ethylene diphosphonic acid; Phosphonic acid, ethylenedi- (6CI,7CI,8CI); NCIStruc1_000127; NCIStruc2_000009; SCHEMBL81370; 3-04-00-01788 (Beilstein Handbook Reference); Ethane-1,2-diphosphonic acid; CHEMBL1566305; Phosphonic acid,2-ethanediylbis-; DTXSID70210391; NCI40837; ZINC3953973; BBL103802; CCG-36564; ethane-1,2-diylbis(phosphonic acid); MFCD00013958; NCGC00013477; NSC 40837; STL557612; AKOS017345014; NCGC00013477-02; NCGC00096592-01; NCI60_003914; DB-053895; E1265; FT-0606460; Phosphonic acid, P,P'-(1,2-ethanediyl)bis-; T72710"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	40837	.	.	.	.	190.03	C2H8O6P2	115	164	-3.4	10	4	6	3	"InChI=1S/C2H8O6P2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H2,3,4,5)(H2,6,7,8)"	C(CP(=O)(O)O)P(=O)(O)O	XYJLPCAKKYOLGU-UHFFFAOYSA-N
DG50674	"2,5-Bis(chloromethyl)-p-xylene"	80530	"2,5-Bis(chloromethyl)-p-xylene; 6298-72-2; 1,4-Bis(chloromethyl)-2,5-dimethylbenzene; Benzene, 1,4-bis(chloromethyl)-2,5-dimethyl-; 2,5-Di(Chloromethyl)-p-xylene; 2,5-bis-(Chloromethyl)-p-xylene; .alpha.(1),.alpha.(4)-Dichlorodurene; alpha(1),alpha(4)-Dichlorodurene; EINECS 228-575-5; NSC 41890; NSC41890; YSZC366; SCHEMBL442987; 2,5-Bis(chloromethyl-p-xylene; DTXSID4064210; ZINC1673618; MFCD00013682; NSC-41890; AKOS003614502; MCULE-4272514420; 2,5dimethyl 1,4bis-chloromethyl benzene; BS-52037; 2,5 dimethyl 1,4 bis-chloromethyl benzene; Benzene,4-bis(chloromethyl)-2,5-dimethyl-; DB-054359; FT-0610256; E70422"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	41890	.	.	.	.	203.1	C10H12Cl2	0	120	3.4	12	0	0	2	"InChI=1S/C10H12Cl2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,5-6H2,1-2H3"	CC1=CC(=C(C=C1CCl)C)CCl	UYRPOMMBPQHVMN-UHFFFAOYSA-N
DG50675	"1,2-Dichloro-4,5-dinitrobenzene"	80565	"1,2-Dichloro-4,5-dinitrobenzene; 6306-39-4; Benzene, 1,2-dichloro-4,5-dinitro-; 4,5-Dichloro-1,2-dinitrobenzene; Parazol; 1,2-DICHLORO-4,5-DINITRO-BENZENE; UNII-E5112AA0T0; E5112AA0T0; MFCD00010865; NSC 22945; BRN 2460868; AI3-19504; 4,2-dinitrobenzene; 1,2diCl4,5diNO2Ph; WLN: WNR CG DG FNW; SCHEMBL3240210; CHEMBL1977118; 1,2-Dichlor-4,5-dinitrobenzol; DTXSID80212386; Benzene,2-dichloro-4,5-dinitro-; ALBB-035540; NSC22945; ZINC4429662; CL8909; NSC-22945; AKOS015916587; AKOS015960452; Butyl4,4-bis(tert-butyldioxy)valerate; MCULE-7580686119; 1,2-Dichloro-4,5-dinitrobenzene, 98%; AC-11248; AS-46136; BP-10079; DB-049832; FT-0636088; 306D394; Q27276874"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	22945	.	.	.	.	236.99	C6H2Cl2N2O4	91.6	225	2.7	14	0	4	0	InChI=1S/C6H2Cl2N2O4/c7-3-1-5(9(11)12)6(10(13)14)2-4(3)8/h1-2H	C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])[N+](=O)[O-]	IGSAVPVCQHAPSM-UHFFFAOYSA-N
DG50676	C.I. Vat Green 9	80733	"C.I. Vat Green 9; NSC51535; NSC-51535; 9,24-dinitrononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6(11),7,9,13,15,17,19,22(27),23,25,28(32),29,33-hexadecaene-12,21-dione; Endurol Black 2B; Caledon Black CNB; Calcoloid Black BB; Cibanone Black 2B; Atic Vat Black NB; Cibanone Black 2BN; Calcoloid Black BBD; Calcoloid Black BNS; Fenanthren Black 2B; Indanthrene Black BB; Belanthrene Black 2B; Amanthrene Supra Black BBN; Navinon Black BB; Paradone Black AB; EINECS 228-873-5; Nyanthrene Black 2B; Hydroform Black G2B; Nihonthrene Black BB; Palanthrene Black BB; Mikethrene Black BBN; Mikethrene Black BBS; Romantrene Black FBB; Solanthrene Black 3BA; Paradone Black AB New; C.I. 59850; Violanthrone,12-dinitro-; NCIStruc1_000451; NCIStruc2_001082; Violanthrone, 3,12-dintro-; CHEMBL137267; SCHEMBL9174818; DTXSID9064269; NCI51535; ZINC3954047; CCG-37504; NCGC00013641; AKOS024427716; MCULE-5617248956; NCGC00013641-02; NCGC00096753-01; NCI60_004250; Dinaphtho[1,3-cd:3',2',1'-lm]perylene-5,10-dione, 3,12-dinitro-; 3,12-bis(hydroxy(oxido)amino)anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione; 107927-52-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51535	.	.	.	.	546.5	C34H14N2O6	126	1120	7.7	42	0	6	0	InChI=1S/C34H14N2O6/c37-33-25-11-9-23-24-10-12-26-32-20(18-4-2-16(36(41)42)14-28(18)34(26)38)6-8-22(30(24)32)21-7-5-19(31(25)29(21)23)17-3-1-15(35(39)40)13-27(17)33/h1-14H	C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC=C4C5=CC=C6C7=C(C=CC(=C57)C8=C4C3=C2C=C8)C9=C(C6=O)C=C(C=C9)[N+](=O)[O-]	KDVDMQVITMTCAH-UHFFFAOYSA-N
DG50677	3-Hydroxy-4-(phenylazo)-2-naphthoic acid	80753	"3-Hydroxy-4-(phenylazo)-2-naphthoic acid; 27757-79-5; C.I. Pigment Red 64; 3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxylic acid; Pigment Red 64; EINECS 248-638-0; NSC 11713; SCHEMBL343951; 2-Naphthalenecarboxylic acid, 3-hydroxy-4-(phenylazo)-; CHEMBL1976469; DTXSID8091538; SCHEMBL21436312; 2-Naphthalenecarboxylicacid, 3-hydroxy-4-(2-phenyldiazenyl)-; C.I. Pigment Red 64 (8CI); NSC11713; ZINC4417026; NSC-11713; 3-Hydroxy-4-phenylazo-2-naphthoic acid; 4-phenylazo-3-hydroxy-2-naphthoic acid; NCI60_000394; DS-001160; R-219; 2-Naphthalenecarboxylic acid, 3-hydroxy-4-(phenylazo)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11713	.	.	.	.	292.29	C17H12N2O3	82.2	420	4.7	22	2	5	3	"InChI=1S/C17H12N2O3/c20-16-14(17(21)22)10-11-6-4-5-9-13(11)15(16)19-18-12-7-2-1-3-8-12/h1-10,20H,(H,21,22)"	C1=CC=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O	DYMRMULFWJUGDJ-UHFFFAOYSA-N
DG50678	"5,7-Dichloroisatin"	80771	"5,7-Dichloroisatin; 6374-92-1; 5,7-Dichloro-1H-indole-2,3-dione; 5,7-Dichloroindoline-2,3-dione; 1H-Indole-2,3-dione, 5,7-dichloro-; NSC26045; MFCD00043905; MLS002639083; 5,7-dichloro-2,3-dihydro-1H-indole-2,3-dione; EINECS 228-928-3; Indole-2,3-dione, 5,7-dichloro-; Isatin,7-dichloro-; Isatin, 5,7-dichloro-; NCIMech_000038; Cambridge id 5228213; Isatin-based compound, 53; CBDivE_012174; Indole-2, 5,7-dichloro-; cid_80771; SCHEMBL136094; CHEMBL374740; 5,7-Dichloroindole-2,3-dione; 5,7-Dichloroisatin, >=95%; BDBM22833; 1H-Indole-2, 5,7-dichloro-; 5,7-dichloro-2,3-indolinedione; DTXSID30213181; HMS3080K03; ZINC1628160; 9753AB; BBL013172; CCG-35535; NSC 26045; NSC-26045; STK982180; AKOS000267190; AC-3347; MCULE-5571176156; SB64335; 5,7-Dichloro-1H-indole-2,3-dione #; AS-37622; NCI60_002080; SMR001334866; SY004423; DB-031794; A8769; AM20080810; FT-0619841; AB00075936-01; 374D921; SR-01000398630; Q-102086; SR-01000398630-1; Z56886395; F0020-1972"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26045	.	.	.	.	216.02	C8H3Cl2NO2	46.2	269	2	13	1	2	0	"InChI=1S/C8H3Cl2NO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)"	C1=C(C=C(C2=C1C(=O)C(=O)N2)Cl)Cl	AYGGQJHJRFZDFH-UHFFFAOYSA-N
DG50679	2-Chloronicotinonitrile	81079	"2-Chloronicotinonitrile; 2-Chloro-3-cyanopyridine; 6602-54-6; 2-Chloropyridine-3-carbonitrile; 2-Chloro-3-pyridinecarbonitrile; 3-Pyridinecarbonitrile, 2-chloro-; MFCD00014628; 2-chloro-nicotinonitrile; 3-Cyano-2-chloropyridine; 2-Chloro-3-cyano-pyridine; 2-Chloro-3-cyanopyridine (2-Chloronicotinonitrile); NSC73287; EINECS 229-550-1; 2-chloronicotinitrile; 2chloronicotinonitrile; 2-chloronicotinnitrile; 2-Chloronicotinoitrile; 2-chloro-nictinonitrile; 2-chloro nicotinonitrile; 2-chloro-3-cyano pyridine; 3-cyano-2-chloro-pyridine; 2-chloro-3-pyridyl cyanide; NCIOpen2_000476; SCHEMBL119023; CHEMBL1969978; JAUPUQRPBNDMDT-UHFFFAOYSA-; ZINC91827; 2-chloro-3-pyridine-carbonitrile; 2-chloro-pyridine-3-carbonitrile; DTXSID00216240; HMS1627B05; ACT06958; ALBB-006319; BCP03202; CS-D1109; LT0058; NSC 73287; NSC-73287; STK503832; AKOS000121267; 2-Chloro-3-pyridinecarbonitrile, 98%; AB01170; AC-4665; FG-0467; MCULE-9664275879; BP-12328; NCI60_041599; DB-016001; A8927; AM20061422; C1369; FT-0611721; FT-0658123; 02C546; P16535; Q-103367; F0001-1761; 2-Chloropyridine-3-carbonitrile (2-Chloronicotinonitrile); 2-Chloro-3-cyanopyridine;2-Chloropyridine-3-carbonitrile;2-Chloro-3-pyridinecarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73287	.	.	.	.	138.55	C6H3ClN2	36.7	137	1.5	9	0	2	0	InChI=1S/C6H3ClN2/c7-6-5(4-8)2-1-3-9-6/h1-3H	C1=CC(=C(N=C1)Cl)C#N	JAUPUQRPBNDMDT-UHFFFAOYSA-N
DG50680	5-(benzyloxy)-1H-indole-2-carboxylic acid	81146	"5-(benzyloxy)-1H-indole-2-carboxylic acid; 6640-09-1; 5-Benzyloxyindole-2-carboxylic acid; 5-Benzyloxy-1H-indole-2-carboxylic acid; 1H-Indole-2-carboxylic acid, 5-(phenylmethoxy)-; 5-phenylmethoxy-1H-indole-2-carboxylic acid; UNII-QC9YQ3S9RU; QC9YQ3S9RU; CHEMBL24850; MLS000737620; 5-(Phenylmethoxy)-1H-indole-2-carboxylic acid; SMR000024621; NSC49096; Maybridge1_005333; Oprea1_472789; Oprea1_872085; MLS000090003; SCHEMBL630515; HMS556K09; ZINC66629; DTXSID20216621; HMS2477M20; 5-benzyloxy-2-indolecarboxylic acid; ACT02526; ALBB-034275; AMY31778; NSC30930; EINECS 229-652-6; BDBM50057498; MFCD00047165; NSC 30930; NSC 49096; NSC-30930; NSC-49096; STK662483; 5-benzyloxy-2-indole carboxylic acid; AKOS001656722; CCG-249958; MCULE-9799998143; 5-benzyloxy-1hindole-2-carboxylic acid; 5-benzyloxyl-1h-indole-2-carboxylic acid; NCI60_004179; TS-00869; DB-012421; FT-0620042; FT-0636221; W7739; B-1950; 640B091; 5-(benzyloxy)-1H-indole-2-carboxylic acid;5-BENZYLOXY-1H-INDOLE-2-CARBOXYLIC ACID"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30930	.	.	.	.	267.28	C16H13NO3	62.3	341	3.8	20	2	3	4	"InChI=1S/C16H13NO3/c18-16(19)15-9-12-8-13(6-7-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,18,19)"	C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=C3)C(=O)O	MVCLSAMNMAWXFQ-UHFFFAOYSA-N
DG50681	"5-Chloro-1,3,3-trimethyl-2-methyleneindoline"	81308	"6872-17-9; 5-Chloro-1,3,3-trimethyl-2-methyleneindoline; 5-Chloro-2-methylene-1,3,3-trimethylindoline; 5-chloro-1,3,3-trimethyl-2-methylideneindole; 1H-Indole, 5-chloro-2,3-dihydro-1,3,3-trimethyl-2-methylene-; 5-Chloro-2-methylene-1.3.3-trimethylindoline; EINECS 229-972-6; 4-Chloro-2,3,3-trimethylindolenine; NSC158263; 5-chloro-1,3,3-trimethyl-2-methylene-indoline; Indoline, 5-chloro-1,3,3-trimethyl-2-methylene-; SCHEMBL3809912; DTXSID40218844; ZINC119647; c1177; MFCD00005814; AKOS001358631; MCULE-9596813958; NSC 158263; NSC-158263; AC-19073; AS-66138; I669; DB-055182; FT-0606489; 1,3,3-Trimethyl-2-methylene-5-chloroindoline; D84166; 5-Chloro-1,3,3-trimethyl-2-methyleneindoline #; 872C179; A836227; 5-chloro-1,3,3-trimethyl-2-methylidene-2,3-dihydro-1H-indole; 5-Chloro-2,3-dihydro-1,3,3-trimethyl-2-methylene-1H-indole; 5-Chloro-2-methylene-1,3,3-trimethylindoline, technical grade, 95%; 5-Hydrazinyl-2-[2-(4-hydrazinyl-2-sulfophenyl)ethenyl]benzenesulfonicacid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158263	.	.	.	.	207.7	C12H14ClN	3.2	259	4	14	0	1	0	"InChI=1S/C12H14ClN/c1-8-12(2,3)10-7-9(13)5-6-11(10)14(8)4/h5-7H,1H2,2-4H3"	CC1(C(=C)N(C2=C1C=C(C=C2)Cl)C)C	VDMXGJJMPKAYQP-UHFFFAOYSA-N
DG50682	5-Phenoxysulfonyl-1-methyl-4-nitroimidazole	81400	"6954-35-4; 5-Phenoxysulfonyl-1-methyl-4-nitroimidazole; MLS002608074; phenyl 3-methyl-5-nitroimidazole-4-sulfonate; NSC-38087; SMR001526825; NSC38087; NSC 38087; cid_81400; SCHEMBL5315656; CHEMBL1897229; BDBM95457; DTXSID20219798; HMS3078L20; ZINC1670441; phenyl 3-methyl-5-nitro-imidazole-4-sulfonate; 3-methyl-5-nitro-4-imidazolesulfonic acid phenyl ester; 3-methyl-5-nitro-imidazole-4-sulfonic acid phenyl ester; 3-methyl-5-nitro-3H-imidazole-4-sulfonic acid phenyl ester; 1H-Imidazole-5-sulfonic acid, 1-methyl-4-nitro-, phenyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38087	.	.	.	.	283.26	C10H9N3O5S	115	423	1.8	19	0	6	3	"InChI=1S/C10H9N3O5S/c1-12-7-11-9(13(14)15)10(12)19(16,17)18-8-5-3-2-4-6-8/h2-7H,1H3"	CN1C=NC(=C1S(=O)(=O)OC2=CC=CC=C2)[N+](=O)[O-]	UFAZASYMNCMYTC-UHFFFAOYSA-N
DG50683	"8-Quinolinol, 5-benzyl-"	81403	"8-Quinolinol, 5-benzyl-; 8-Quinolinol, 5-(phenylmethyl)-; 6954-93-4; MLS002639440; WLN: T66 BNJ G1R& JQ; 5-Benzyl-8-quinolinol; NSC 32190; NSC 72781; BRN 0180103; 4-21-00-01648 (Beilstein Handbook Reference); 5-(Phenylmethyl)-8-quinolinol; 5-(Phenylmethyl)quinolin-8-ol; SCHEMBL1520610; CHEMBL1731606; DTXSID90219806; HMS3091A23; NSC32190; NSC72781; ZINC1664763; NSC-32190; NSC-72781; SMR001548884; 8-Quinolinol, 5-(phenylmethyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32190	.	.	.	.	235.28	C16H13NO	33.1	262	3.9	18	1	2	2	"InChI=1S/C16H13NO/c18-15-9-8-13(11-12-5-2-1-3-6-12)14-7-4-10-17-16(14)15/h1-10,18H,11H2"	C1=CC=C(C=C1)CC2=C3C=CC=NC3=C(C=C2)O	XMMNJZRNOIZBDA-UHFFFAOYSA-N
DG50684	"4-(2-Pyridylazo)-N,N-dimethylaniline"	81528	"13103-75-8; 4-(2-Pyridylazo)-N,N-dimethylaniline; PADA; Pyridine-2-azo-p-dimethylaniline; N,N-Dimethyl-4-(2-pyridylazo)aniline; N,N-dimethyl-4-(pyridin-2-yldiazenyl)aniline; Pyridine-2-azodimethylaniline; p-(2-Pyridylazo)dimethylaniline; 2-(p-N,N-Dimethylaminophenylazo)pyridine; NSC 9358; MLS000737906; CHEMBL1984524; Pyridine, 2-[[p-(dimethylamino)phenyl]azo]-; 2-((p-(dimethylamino)phenyl)azo)pyridine; 2-[[p-(dimethylamino)phenyl]azo]pyridine; Pyridine, ((p-(dimethylamino)phenyl)azo)-; Pyridine, [[p-(dimethylamino)phenyl]azo]-; EINECS 236-026-6; Benzenamine, N,N-dimethyl-4-(2-pyridinylazo)-; SCHEMBL407009; SCHEMBL1131920; NSC9358; NSC-9358; BDBM50109534; MFCD00010435; ZINC13110587; AKOS015913917; ZINC100024653; ZINC254489727; MCULE-3956955466; 2H-PYRAN-2-ONE-6-CARBOXYLICACID; BC000901; NCI60_042087; SMR000528083; DB-041998; Benzenamine,N-dimethyl-4-(2-pyridinylazo)-; FT-0616556; P0617; N,N-Dimethyl-4-(2-pyridylazo)aniline, 98%; N,N-Dimethyl-4-[(2-pyridyl)diazenyl]aniline; N,N-Dimethyl-4-(2-pyridinyldiazenyl)aniline #; T71702; N,N-Dimethyl-4-[(E)-2-pyridinyldiazenyl]aniline; (E)-N,N-dimethyl-4-(pyridin-2-yldiazenyl)aniline; Pyridine, 2-((p-(dimethylamino)phenyl)azo)- (8CI); Benzenamine, N,N-dimethyl-4-(2-pyridinylazo)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9358	.	.	.	.	226.28	C13H14N4	40.8	244	3.1	17	0	4	3	"InChI=1S/C13H14N4/c1-17(2)12-8-6-11(7-9-12)15-16-13-5-3-4-10-14-13/h3-10H,1-2H3"	CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=N2	IOJNPSPGHUEJAQ-UHFFFAOYSA-N
DG50685	Benzyl dimethyldithiocarbamate	81664	"7250-18-2; Benzyl dimethyldithiocarbamate; Benzyl-N,N-dimethyldithiocarbamate; benzyl N,N-dimethylcarbamodithioate; UNII-24J8NV9CQQ; 24J8NV9CQQ; BENZYL N,N-DIMETHYLDITHIOCARBAMATE; benzyl dimethylcarbamodithioate; NSC24913; EINECS 230-659-1; SCHEMBL1158069; CHEMBL1970672; DTXSID80222809; ZINC389784; NSC 24913; NSC-24913; AKOS015889537; Dimethyldithiocarbamic acid benzyl ester; MCULE-3163364738; Benzyl-N,N-dimethyldithiocarbamate, 98%; N,N-dimethyl(benzylsulfanyl)carbothioamide; NCI60_001988; DB-055641; FT-0636404; 5-amino-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24913	.	.	.	.	211.4	C10H13NS2	60.6	162	2.8	13	0	2	3	"InChI=1S/C10H13NS2/c1-11(2)10(12)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3"	CN(C)C(=S)SCC1=CC=CC=C1	HLZBIKHKXIJIHX-UHFFFAOYSA-N
DG50686	"Propanedioic acid, [(2,5-dimethoxyphenyl)methylene]-, diethyl ester"	81758	"7324-87-0; Diethyl 2,5-dimethoxybenzylidene-malonate; Propanedioic acid, [(2,5-dimethoxyphenyl)methylene]-, diethyl ester; NSC643026; Propanedioic acid, ((2,5-dimethoxyphenyl)methylene)-, diethyl ester; Propanedioic acid, 2-((2,5-dimethoxyphenyl)methylene)-, 1,3-diethyl ester; Diethyl (2,5-dimethoxybenzylidene)malonate; diethyl(2,5-dimethoxybenzylidene)malonate; Propanedioic acid, 2-[(2,5-dimethoxyphenyl)methylene]-, 1,3-diethyl ester; EINECS 230-799-3; CHEMBL1997666; DTXSID0064626; SCHEMBL11405158; ZINC1628698; NSC-643026; NCI60_014575; Diethyl 2-(2,5-dimethoxybenzylidene)malonate; (2,5-Dimethoxybenzylidene)malonic acid diethyl ester; diethyl 2-[(2,5-dimethoxyphenyl)methylene]propanedioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643026	.	.	.	.	308.33	C16H20O6	71.1	383	3.3	22	0	6	9	"InChI=1S/C16H20O6/c1-5-21-15(17)13(16(18)22-6-2)10-11-9-12(19-3)7-8-14(11)20-4/h7-10H,5-6H2,1-4H3"	CCOC(=O)C(=CC1=C(C=CC(=C1)OC)OC)C(=O)OCC	SDKURJSMAYMSOF-UHFFFAOYSA-N
DG50687	"Acetic acid, [(aminoiminomethyl)thio]-"	81899	"7404-50-4; Acetic acid, [(aminoiminomethyl)thio]-; 2-carbamimidoylsulfanylacetic acid; (Amidinothio)acetic acid; 2-(carbamimidoylthio)acetic acid; Acetic acid,2-[(aminoiminomethyl)thio]-; S-(Carboxymethyl)isothiourea; (carbamimidoylsulfanyl)acetic acid; Acetic acid, (amidinothio)-; NSC403734; ((Aminoiminomethyl)thio)acetic acid; 2-(carbamimidoylsulfanyl)acetic acid; NSC-403734; Acetic acid, ((aminoiminomethyl)thio)-; Acetic acid, 2-((aminoiminomethyl)thio)-; ((amino(imino)methyl)thio)acetic acid; [[Amino(imino)methyl]thio]acetic acid; Acetic acid, 2-[(aminoiminomethyl)thio]-; Carbamimidoylsulfanylacetic acid; EINECS 231-010-5; NSC 403734; NCIStruc1_001660; NCIStruc2_000102; SCHEMBL4279640; CHEMBL1191027; DTXSID10864054; ALBB-009286; BBL013310; CCG-36582; MFCD00778281; NCGC00014898; NCI403734; STK505805; ZINC19940006; AKOS005171967; MCULE-3427937751; NCGC00014898-02; NCGC00097999-01; NCI60_003809; VS-03744; FT-0690490; W-104436; acetic acid, [(aminoiminomethyl)thio]-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403734	.	.	.	.	134.16	C3H6N2O2S	113	114	-0.2	8	3	4	3	"InChI=1S/C3H6N2O2S/c4-3(5)8-1-2(6)7/h1H2,(H3,4,5)(H,6,7)"	C(C(=O)O)SC(=N)N	BWUNQEXPLIAUOU-UHFFFAOYSA-N
DG50688	"2,6-Dichlorobenzyl thiocyanate"	82034	"2,6-Dichlorobenzyl thiocyanate; 7534-64-7; (2,6-dichlorophenyl)methyl thiocyanate; 1,3-dichloro-2-(thiocyanatomethyl)benzene; UNII-4E4RV03XX5; 4E4RV03XX5; 2,6-DICHLOROBENZYLTHIOCYANATE; EINECS 231-401-0; NSC118097; DTXSID10226299; ZINC1707757; 9229AE; MFCD00019766; AKOS015850136; MCULE-4104876088; NSC 118097; NSC-118097; DB-020174; FT-0610606"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118097	.	.	.	.	218.1	C8H5Cl2NS	49.1	179	3.7	12	0	2	2	"InChI=1S/C8H5Cl2NS/c9-7-2-1-3-8(10)6(7)4-12-5-11/h1-3H,4H2"	C1=CC(=C(C(=C1)Cl)CSC#N)Cl	IBWINXSTXHFYMY-UHFFFAOYSA-N
DG50689	4'-Iodo-3-nitrosalicylanilide	82692	"4'-Iodo-3-nitrosalicylanilide; USAF BV-11; 10515-48-7; Salicylanilide, 4'-iodo-3-nitro-; Benzamide, 2-hydroxy-N-(4-iodophenyl)-3-nitro-; 2-hydroxy-N-(4-iodophenyl)-3-nitrobenzamide; BRN 2754304; AI3-51383; NSC27102; WLN: WNR BQ CVMR DI; 4-12-00-01551 (Beilstein Handbook Reference); SCHEMBL7164292; DTXSID9074436; NSC 27102; NSC-27102; DS-000895; Benzamide,2-hydroxy-N-(4-iodophenyl)-3-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	27102	.	.	.	.	384.13	C13H9IN2O4	95.2	366	3.4	20	2	4	2	"InChI=1S/C13H9IN2O4/c14-8-4-6-9(7-5-8)15-13(18)10-2-1-3-11(12(10)17)16(19)20/h1-7,17H,(H,15,18)"	C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)NC2=CC=C(C=C2)I	TXGONIKXFWSNOU-UHFFFAOYSA-N
DG50690	"2,3-Dibromo-1,4-naphthoquinone"	83259	"2,3-Dibromo-1,4-naphthoquinone; 13243-65-7; 2,3-dibromonaphthalene-1,4-dione; 2,3-dibromonaphthoquinone; NSC618332; 2,3-dibromo-1,4-dihydronaphthalene-1,4-dione; 1,4-Naphthalenedione, 2,3-dibromo-; EINECS 236-223-7; NSC106320; NSC 106320; 1, 2,3-dibromo-; NCIMech_000534; SCHEMBL1240837; 2,3-Dibrom-1,4-naphthochinon; CHEMBL1989145; DTXSID20157580; ZINC265648; CCG-35639; STL323127; AKOS015912948; MCULE-2029335013; NSC-106320; NSC-618332; 2,3-Dibromo-1,4-naphthoquinone 97%; 2,3-Dibromo-1,4-naphthoquinone, 97%; AS-62043; NCI60_000148; NCI60_005561; DB-042113; 1,4-Naphthoquinone, 2,3-dibromo- (8CI); CS-0132862; FT-0636853; 1,4-Naphthalenedione, 2,3-dibromo- (9CI); 10.14272/PSMABVOYZJWFBV-UHFFFAOYSA-N; 10.14272/PSMABVOYZJWFBV-UHFFFAOYSA-N.1; doi:10.14272/PSMABVOYZJWFBV-UHFFFAOYSA-N; doi:10.14272/PSMABVOYZJWFBV-UHFFFAOYSA-N.1; J-006177; F0433-0200"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618332	.	.	.	.	315.94	C10H4Br2O2	34.1	301	2.8	14	0	2	0	InChI=1S/C10H4Br2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H	C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Br)Br	PSMABVOYZJWFBV-UHFFFAOYSA-N
DG50691	Daunomycin 3-oxime hydrochloride	83851	"Daunomycin 3-oxime hydrochloride; NSC143491; MLS002702944; 34610-60-1; Neuro_000077; cid_83851; CHEMBL1700644; BDBM200226; 3,5,12-Trihydroxy-3-(N-hydroxyethanimidoyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-naphthacenyl 3-amino-2,3,6-trideoxyhexopyranoside; SMR001566759"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143491	.	.	.	.	542.5	C27H30N2O10	201	994	2.6	39	6	12	4	"InChI=1S/C27H30N2O10/c1-10-22(30)14(28)7-17(38-10)39-16-9-27(35,11(2)29-36)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(37-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-36H,7-9,28H2,1-3H3"	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NO)C)O)N)O	HUDHPOXZMUHYAB-UHFFFAOYSA-N
DG50693	Desacetylcolchicine d-tartrate	84053	"Desacetylcolchicine d-tartrate; SKF 250; 49720-72-1; NSC-36354; Colchicine, deacetyl-, L-tartrate; NCI 1136; NSC36354; UNII-V6VJ713WZL; V6VJ713WZL; Desacetylcolchicine tartrate (NSC-36354); (7S)-7-amino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one;(2R,3R)-2,3-dihydroxybutanedioic acid; TMCA methyl ester d-tartrate, hydrate; Trimethylcolchicinic acid, methyl ether, L-tartrate; Colchicine, L-tartrate; Colchicinic acid, trimethyl-methyl ether, d-tartrate, hydrate; Benzo(a)heptalen-9(5H)-one, 7-amino-6,7-dihydro-1,2,3,10-tetramethoxy-, (S)-, tartrate (1:1); Desacetylcolchicine L-tartrate; DTXSID50197994; Colchicinic acid, O,O',O'',O'''-tetramethyl-, tartrate (6CI); Trimethylcolchicinic acid, L-tartrate; (7S)-7-amino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one; (2R,3R)-2,3-dihydroxybutanedioic acid; Benzo(a)heptalen-9(5H)-one, 7-amino-6,7-dihydro-1,2,3,10-tetramethoxy-, (S)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1); NCI60_003329; COLCHICINE,L-TARTRATE(1:1), HYDRATE; (7S)-7-Amino-6,7-dihydro-1,2,3,10-tetramethoxybenzo[a]heptalen-9(5H)-one, [2,3-dihydroxybutanedioate-, (2R,3R)-] (1:1); Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3,10-tetramethoxy-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1); Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3,10-tetramethoxy-, (S)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36354	.	.	.	.	507.5	C24H29NO11	195	772	.	36	5	12	7	"InChI=1S/C20H23NO5.C4H6O6/c1-23-16-8-6-12-13(10-15(16)22)14(21)7-5-11-9-17(24-2)19(25-3)20(26-4)18(11)12;5-1(3(7)8)2(6)4(9)10/h6,8-10,14H,5,7,21H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/t14-;1-,2-/m01/s1"	COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O	JLRWNBXMQCGSEJ-APBURCQWSA-N
DG50694	"Acetamide, N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-10-((phenylmethyl)amino)benzo(a)heptalen-7-yl)-, (S)-"	84072	"76129-15-2; Acetamide, N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-10-((phenylmethyl)amino)benzo(a)heptalen-7-yl)-, (S)-; MLS003115870; NSC 309697; BRN 3185612; Colchicine, 10-(benzylamino)-10-demethoxy-; NSC309697; 10-Benzylamino-10-demethoxycolchicine; CHEMBL85812; DTXSID00997481; ZINC5640760; STL546543; AKOS030499560; MCULE-4769180262; NSC-309697; 10-(Benzylamino)-10-demethoxycolchicine; Acetamide,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-10-[(phenylmethyl)amino]benzo[a]heptalen-7-yl]-, (S)-; N-[(7S)-10-(benzylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide; N-[10-(Benzylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]ethanimidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	309697	.	.	.	.	474.5	C28H30N2O5	85.9	873	3.6	35	2	6	7	"InChI=1S/C28H30N2O5/c1-17(31)30-22-12-10-19-14-25(33-2)27(34-3)28(35-4)26(19)20-11-13-23(24(32)15-21(20)22)29-16-18-8-6-5-7-9-18/h5-9,11,13-15,22H,10,12,16H2,1-4H3,(H,29,32)(H,30,31)/t22-/m0/s1"	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCC4=CC=CC=C4)OC)OC)OC	PDIUZPBNLUNFFJ-QFIPXVFZSA-N
DG50695	"N-(3,4,5-Trimethoxybenzoyl)deacetylcolchicine"	84075	"N-(3,4,5-Trimethoxybenzoyl)deacetylcolchicine; 86436-39-7; NSC355256; Colchicine, N-deacetyl-N-(3,4,5-trimethoxybenzoyl)-; Benzamide, N-(5,6,7,9-tetrahydro-9-oxo-1,2,3,10-tetramethoxybenzo(a)heptalen-7-yl)-3,4,5-trimethoxy-, (S)-; NSC 355256; BRN 5682606; CHEMBL287634; DTXSID70235549; Benzamide, 3,4,5-trimethoxy-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-; 3,4,5-trimethoxy-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide; N-(3,4,5-Trimethoxybenzoyl)-N-deacetylcolchicine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355256	.	.	.	.	551.6	C30H33NO9	111	993	2.6	40	1	9	9	"InChI=1S/C30H33NO9/c1-34-22-11-9-18-19(15-21(22)32)20(10-8-16-12-25(37-4)28(39-6)29(40-7)26(16)18)31-30(33)17-13-23(35-2)27(38-5)24(14-17)36-3/h9,11-15,20H,8,10H2,1-7H3,(H,31,33)/t20-/m0/s1"	COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC	YWIKVBNQUVBQEN-FQEVSTJZSA-N
DG50696	N-(Ethoxyacetyl)deacetylthiocolchicine	84078	"N-(Ethoxyacetyl)deacetylthiocolchicine; 97043-02-2; Colchicine, 17-ethoxy-10-thio-; NSC372485; Acetamide, 2-ethoxy-N-(5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(a)heptalen-7-yl)-, (S)-; MLS002702892; BRN 5655148; CHEMBL277703; DTXSID60242681; ZINC5567633; 17-ETHOXY-10-THIOCOLCHICINE; NSC-372485; NCI60_003463"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372485	.	.	.	.	459.6	C24H29NO6S	108	791	2	32	1	7	8	"InChI=1S/C24H29NO6S/c1-6-31-13-21(27)25-17-9-7-14-11-19(28-2)23(29-3)24(30-4)22(14)15-8-10-20(32-5)18(26)12-16(15)17/h8,10-12,17H,6-7,9,13H2,1-5H3,(H,25,27)/t17-/m0/s1"	CCOCC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC	FQTHLSCRBAIBIC-KRWDZBQOSA-N
DG50697	Methyl 2-phenylsulfinylacetate	84191	"14090-83-6; Methyl 2-phenylsulfinylacetate; methyl 2-(benzenesulfinyl)acetate; methyl (phenylsulfinyl)acetate; methyl 2-(phenylsulfinyl)acetate; GNF-Pf-1921; NSC620050; Methyl (phenylsulphinyl)acetate; EINECS 237-936-6; Maybridge1_000019; Acetic acid, (phenylsulfinyl)-, methyl ester; Acetic acid,2-(phenylsulfinyl)-, methyl ester; NCIMech_000187; MixCom1_000019; methyl-(phenylsulfinyl)acetate; Methyl (benzenesulfinyl)acetate; CHEMBL601542; SCHEMBL1713129; dl-Methyl(phenylsulfonyl)acetate; DTXSID00930939; methyl 2-(phenylsulphinyl)acetate; Methyl 2-phenylsulfinylacetate, 98%; MFCD00002087; AKOS009158978; NSC-620050; NCI60_005928; FT-0628394; J-007430"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620050	.	.	.	.	198.24	C9H10O3S	62.6	197	1.1	13	0	4	4	"InChI=1S/C9H10O3S/c1-12-9(10)7-13(11)8-5-3-2-4-6-8/h2-6H,7H2,1H3"	COC(=O)CS(=O)C1=CC=CC=C1	JPPXZUDQIXZLIL-UHFFFAOYSA-N
DG50698	Ethyl Green cation	84672	"Ethyl Green cation; UNII-6W089995NT; CHEBI:88289; 6W089995NT; NSC3091; 22244-13-9; ethyl green(1+); CHEMBL2009112; SCHEMBL12671027; ZINC3861438; Benzenaminium, 4-((4-(dimethylamino)phenyl)(4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene)methyl)-N-ethyl-N,N-dimethyl-; NCI60_002649; Q27160165; Bis[4-(dimethylamino)phenyl][4-(ethyldimethylaminio)phenyl]methylcation; [4-([4-(dimethylamino)phenyl]{4-[ethyl(dimethyl)azaniumyl]phenyl}methylidene)cyclohexa-2,5-dien-1-ylidene](dimethyl)ammonium; [4-[(4-dimethylaminophenyl)-(4-dimethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-ethyl-dimethyl-ammonium; 4-((4-(Dimethyl-.lambda.~5~-azanylidene)-2,5-cyclohexadien-1-ylidene)(4-(ethyl(dimethyl)-.lambda.~5~-azanyl)phenyl)methyl)-N,N-dimethylaniline; Ammonium, [.alpha.-[p-(dimethylamino)phenyl]-.alpha.-[4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]-p-tolyl]ethyldimethyl-, bromide, chloride; N,N-Dimethyl-4-[alpha-[4-(dimethylamino)phenyl]-4-(ethyldimethylaminio)benzylidene]-2,5-cyclohexadiene-1-ylideneiminium; N-(4-((4-(Dimethyl-.lambda.~5~-azanylidene)-2,5-cyclohexadien-1-ylidene)(4-(ethyl(dimethyl)-.lambda.~5~-azanyl)phenyl)methyl)phenyl)-N,N-dimethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3091	.	.	.	.	401.6	C27H35N3+2	6.2	645	5.1	30	0	1	5	"InChI=1S/C27H35N3/c1-8-30(6,7)26-19-13-23(14-20-26)27(21-9-15-24(16-10-21)28(2)3)22-11-17-25(18-12-22)29(4)5/h9-20H,8H2,1-7H3/q+2"	CC[N+](C)(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C	ZRJYQNPSWSGCMS-UHFFFAOYSA-N
DG50699	Sulfonaphtholazoresorcinol	85517	"Sulfonaphtholazoresorcinol; 16623-47-5; MLS002694782; 4-[(2,4-dihydroxyphenyl)azo]-3-hydroxynaphthalene-1-sulphonic acid; CHEMBL363296; 1-Naphthalenesulfonic acid, 4-[(2,4-dihydroxyphenyl)azo]-3-hydroxy-; SMR001560701; 1-Naphthalenesulfonic acid, 4-((2,4-dihydroxyphenyl)azo)-3-hydroxy-; 1-Naphthalenesulfonic acid, 4-(2-(2,4-dihydroxyphenyl)diazenyl)-3-hydroxy-; 4-[(2,4-dihydroxyphenyl)diazenyl]-3-hydroxynaphthalene-1-sulfonic acid; 4-((2,4-Dihydroxyphenyl)azo)-3-hydroxynaphthalene-1-sulphonic acid; 1-Naphthalenesulfonic acid, 4-[2-(2,4-dihydroxyphenyl)diazenyl]-3-hydroxy-; EINECS 240-672-4; NSC 87862; NCIOpen2_009600; CHEMBL1735454; DTXSID4066092; SCHEMBL10874811; SCHEMBL16853116; cid_5483802; BDBM115151; HMS3079K13; NSC87862; ZINC4900892; BDBM50154621; NSC-87862; (4Z)-4-[(2,4-dihydroxyphenyl)hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid; NCI60_041941; 1-Naphthalenesulfonic acid,4-dihydroxyphenyl)azo]-3-hydroxy-; 4-((E)-2,4-Dihydroxy-phenylazo)-3-hydroxy-naphthalene-1-sulfonic acid; (4Z)-4-[(2,4-dihydroxyphenyl)hydrazinylidene]-3-oxo-1-naphthalenesulfonic acid; (4Z)-4-[(2,4-dihydroxyphenyl)hydrazono]-3-keto-naphthalene-1-sulfonic acid; (4Z)-4-[[2,4-bis(oxidanyl)phenyl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87862	.	.	.	.	360.3	C16H12N2O6S	148	592	2.6	25	4	8	3	"InChI=1S/C16H12N2O6S/c19-9-5-6-12(13(20)7-9)17-18-16-11-4-2-1-3-10(11)15(8-14(16)21)25(22,23)24/h1-8,19-21H,(H,22,23,24)"	C1=CC=C2C(=C1)C(=CC(=C2N=NC3=C(C=C(C=C3)O)O)O)S(=O)(=O)O	JQBUVPRAKRZKRZ-UHFFFAOYSA-N
DG50700	"3,4-Dibromosulfolane"	85797	"3,4-Dibromosulfolane; 15091-30-2; 3,4-Dibromotetrahydrothiophene 1,1-dioxide; 3,4-dibromothiolane 1,1-dioxide; Thiophene, 3,4-dibromotetrahydro-, 1,1-dioxide; 3,4-Dibromotetrahydrothiophene-1,1-dioxide; MFCD00022536; C4H6Br2O2S; Thiophene, tetrahydro-3,4-dibromo-, 1,1-dioxide; Thiophene,4-dibromo-, 1,1-dioxide; Thiophene,4-dibromotetrahydro-, 1,1-dioxide; NSC 39636; BRN 0119352; NSC39636; NCIOpen2_004531; 3,4-DIBROMO SULFOLANE; SCHEMBL2681109; DTXSID80884784; 7311-84-4; ALBB-022878; NSC75382; BBL012241; HTS004164; NSC-39636; NSC-75382; STK803097; AKOS003244555; AKOS016039456; BS-9949; MCULE-5733132748; 3,4-Dibromotetrahydrothiophene1,1-dioxide; DB-043067; CS-0106384; D0679; FT-0637178; V3447; F12433; A809086; TRANS-3,4-DIBROMOTETRAHYDROTHIOPHENE 1,1 -DIOXIDE, 97%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	75382	.	.	.	.	277.96	C4H6Br2O2S	42.5	177	1	9	0	2	0	"InChI=1S/C4H6Br2O2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2H2"	C1C(C(CS1(=O)=O)Br)Br	CGWKQCYAMPDEGC-UHFFFAOYSA-N
DG50701	"2,3-Dibromopropionamide"	85798	"2,3-Dibromopropionamide; 2,3-Dibromopropanamide; 15102-42-8; Propanamide, 2,3-dibromo-; 2,3-Dibromopropionamide; NSC 144295; EINECS 239-153-5; NSC144295; Propionamide,3-dibromo-; 2,3-dibromo-propionamide; 2,3-Dibromopropanamide #; Propanamide,2,3-dibromo-; SCHEMBL55902; Propionamide, 2,3-dibromo-; DTXSID10864554; MFCD00031484; AKOS015833860; NSC 144295; NSC-144295; AC-19535; AS-58446; DB-043076; CS-0013982; D1378; FT-0609524; FT-0609525; D95258; W-108065"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144295	.	.	.	.	230.89	C3H5Br2NO	43.1	75.3	0.7	7	1	1	2	"InChI=1S/C3H5Br2NO/c4-1-2(5)3(6)7/h2H,1H2,(H2,6,7)"	C(C(C(=O)N)Br)Br	DZQCMQRQFZXQKN-UHFFFAOYSA-N
DG50702	5-((p-(Dimethylamino)phenyl)azo)quinoline	87103	"NSC680467; 17416-17-0; BRN 0481879; N,N-Dimethyl-p-(5'-quinolylazo)aniline; N,N-Dimethyl-4-(5'-quinolylazo)aniline; 5-((p-(Dimethylamino)phenyl)azo)quinoline; Quinoline, 5-((p-(dimethylamino)phenyl)azo)-; 5-22-14-00658 (Beilstein Handbook Reference); CHEMBL1973497; 5-(4-Dimethylaminophenylazo)quinoline; NSC-680467; NCI60_028684; 5-[[(4-Dimethylamino)phenyl]azo]quinoline; N,N-dimethyl-4-[(E)-5-quinolylazo]aniline; N,N-Dimethyl-4-(5-quinolinyldiazenyl)aniline; Benzenamine,N-dimethyl-4-[(5-quinolinyl)azo]-; N,N-Dimethyl-N-(4-(5-quinolinyldiazenyl)phenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680467	.	.	.	.	276.34	C17H16N4	40.8	347	4.5	21	0	4	3	"InChI=1S/C17H16N4/c1-21(2)14-10-8-13(9-11-14)19-20-17-7-3-6-16-15(17)5-4-12-18-16/h3-12H,1-2H3"	CN(C)C1=CC=C(C=C1)N=NC2=CC=CC3=C2C=CC=N3	BXRFPVFMVQNKGL-UHFFFAOYSA-N
DG50703	Chromone-3-carboxaldehyde	87112	"Chromone-3-carboxaldehyde; 17422-74-1; 4-Oxo-4H-chromene-3-carbaldehyde; 3-Formylchromone; 4-oxochromene-3-carbaldehyde; 3-CHROMONECARBALDEHYDE; 4-Oxo-4H-1-benzopyran-3-carboxaldehyde; 3-Formylchromones; 4H-1-Benzopyran-3-carboxaldehyde, 4-oxo-; MFCD00014667; CHEMBL86905; 3-FORMYL-4-OXO-4H-CHROMENE; EINECS 241-451-5; NSC291317; Chromone-3-Carbaldehyde; 3-Formylchromone, 97%; SCHEMBL127924; 4-oxo-chromene-3-carbaldehyde; ZINC57727; DTXSID30169795; AMY36751; STR02001; BDBM50131078; STK519609; 4-Oxo-4H-chromene-3-carbaldehyde #; AKOS000268840; CS-W017515; KAN-104141; MCULE-5229220901; NSC 291317; NSC-291317; BP-20173; NCI60_002396; SY048640; 4-oxo-4H-1-benzopyran-3- carboxaldehyde; DB-043972; FT-0615539; O0291; X6416; A811623; J-010972"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	291317	.	.	.	.	174.15	C10H6O3	43.4	267	1.2	13	0	3	1	InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H	C1=CC=C2C(=C1)C(=O)C(=CO2)C=O	FSMYWBQIMDSGQP-UHFFFAOYSA-N
DG50704	N-(4-Chlorophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide	87517	"Naphthol AS-E phosphate; 18228-17-6; KG-501; Naphtholas-ephosphate; N-(4-Chlorophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide; UNII-H6R6B93QFC; H6R6B93QFC; [3-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate; 3-((4-Chlorophenyl)carbamoyl)naphthalen-2-yl dihydrogen phosphate; 3-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl dihydrogen phosphate; dibenzylterephthalate; EINECS 242-106-1; KG 501; NASEP; CHEMBL1234585; SCHEMBL11979377; DTXSID10171275; HMS3886J10; BCP29194; EX-A2026; KG-501(Naphthol AS-E phosphate); ZINC2168663; MFCD00042718; NSC746568; s8409; AKOS024375425; DB08240; MCULE-1291316751; Naphthol AS-E phosphate, for histology; NSC 746568; NSC-746568; KG-501 (2-naphthol-AS-E-phosphate); HY-103299; CS-0027313; FT-0712758; C73512; Q27097463; N-(4-Chlorophenyl)-3-phosphonooxy-2-naphthalenecarboxamide; 3-(4-chlorophenylcarbamoyl)naphthalen-2-yl dihydrogen phosphate; N-(4-Chlorophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide / KG-501 / NASEP; N3P"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746568	.	.	.	.	377.7	C17H13ClNO5P	95.9	519	3	25	3	5	4	"InChI=1S/C17H13ClNO5P/c18-13-5-7-14(8-6-13)19-17(20)15-9-11-3-1-2-4-12(11)10-16(15)24-25(21,22)23/h1-10H,(H,19,20)(H2,21,22,23)"	C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl)OP(=O)(O)O	RQAQWBFHPMSXKR-UHFFFAOYSA-N
DG50705	Acrophylline	87840	"Acrophylline; 18904-40-0; CHEBI:2438; 7-methoxy-9-(3-methylbut-2-enyl)furo[2,3-b]quinolin-4-one; 7-methoxy-9-(3-methylbut-2-enyl)furo[2,3-b]quinolin-4(9H)-one; Furo[2,3-b]quinolin-4(9H)-one, 7-methoxy-9-(3-methyl-2-butenyl)-; Furo(2,3-b)quinolin-4(9H)-one, 7-methoxy-9-(3-methyl-2-butenyl)-; 7-Methoxy-9-(3-methyl-2-butenyl)furo(2,3-b)quinolin-4(9H)-one; CHEMBL447116; DTXSID60172292; NSC121139; NSC 121139; NSC-121139; NCI60_000495; DS-001651; Furo[2, 7-methoxy-9-(3-methyl-2-butenyl)-; Q27105667; 7-Methoxy-9-(3-methyl-2-butenyl)furo[2,3-b]quinolin-4(9H)-one #; Furo[2,3-b]quinolin-4(9h)-one,7-methoxy-9-(3-methyl-2-buten-1-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121139	.	.	.	.	283.32	C17H17NO3	42.7	430	4	21	0	4	3	"InChI=1S/C17H17NO3/c1-11(2)6-8-18-15-10-12(20-3)4-5-13(15)16(19)14-7-9-21-17(14)18/h4-7,9-10H,8H2,1-3H3"	CC(=CCN1C2=C(C=CC(=C2)OC)C(=O)C3=C1OC=C3)C	GARIOWCJZYSSOE-UHFFFAOYSA-N
DG50706	Terephthalohydroxamic acid	88356	"Terephthalohydroxamic acid; 20073-80-7; Terephthalodihydroxamic acid; Terephthalyldihydroxamic acid; 1-N,4-N-dihydroxybenzene-1,4-dicarboxamide; n,n'-dihydroxybenzene-1,4-dicarboxamide; Benzene-1,4-dicarbohydroxamic acid; WR 74,106; UNII-MS9G3AGO1L; MS9G3AGO1L; N,N'-dihydroxyterephthalamide; 1,4-Benzenedicarboxamide, N,N'-dihydroxy- (9CI); NSC 129408; N,N'-Dihydroxy-1,4-benzenedicarboxamide; BYD; 1, N,N'-dihydroxy-; YSZC410; N1,N4-Dihydroxyterephthalamide; SCHEMBL3673435; CHEMBL1979892; DTXSID30173892; ZINC4809443; N~1~,N~4~-dihydroxyterephthalamide; NSC129408; AKOS002321087; MCULE-4168412919; NSC-129408; NCI60_000662; WR 74106; CS-0169892; N1,N4-DIHYDROXYBENZENE-1,4-DICARBOXAMIDE; Q27458575"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129408	.	.	.	.	196.16	C8H8N2O4	98.7	199	-0.5	14	4	4	2	"InChI=1S/C8H8N2O4/c11-7(9-13)5-1-2-6(4-3-5)8(12)10-14/h1-4,13-14H,(H,9,11)(H,10,12)"	C1=CC(=CC=C1C(=O)NO)C(=O)NO	YAJCYOUHZABXFT-UHFFFAOYSA-N
DG50707	"1,2-Bis(2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl)diazene"	88715	"20858-12-2; 1,2-Bis(2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl)diazene; NSC668414; 2,2'-azobis[2-(2-imidazolin-2-yl)propane]; VA 061; bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene; VA-061; NSC-668414; Azobis-N,N'-dimethyleneisobutyroamidine; 1H-Imidazole, 2,2'-[azobis(1-methylethylidene)]bis[4,5-dihydro-; 2,2-azobis[2-(2-imidazolin-2-yl)propane]; 1H-Imidazole, 2,2'-[1,2-diazenediylbis(1-methylethylidene)]bis[4,5-dihydro-; NSC668413; 1H-Imidazole, 2,2'-(azobis(1-methylethylidene))bis(4,5-dihydro-; 1H-Imidazole, 2,2'-(1,2-diazenediylbis(1-methylethylidene))bis(4,5-dihydro-; 2,2'-azobis[2-(2-imidazolin-2-yl)propane]dihydrochloride; AZO initiator VA-061; NCIStruc1_000704; NCIStruc2_001102; SCHEMBL148682; CHEMBL1741328; CHEMBL1995494; DTXSID0066662; C12H22N6; ZINC3954674; EINECS 244-085-4; 0670AB; CCG-38150; NCGC00014974; NCI668414; AKOS015853582; AKOS030228348; ZINC100013604; ZINC242548849; NSC 668414; Azobis(N,N'-dimethylene isobutylamidine); NCGC00014974-02; NCGC00098074-01; NCI60_023855; NCI60_023856; FT-0689248; Imidazole,2'-(azodiisopropylidene)bis[4,5-dihydro-; 2,2'-(Azodiisopropylidene)bis(4,5-dihydro-1H-imidazole); {2,2'-Azobis[2-(2-imidazolin-2-yl)propane]dihydrochloride}; 1H-Imidazole,2'-[azobis(1-methylethylidene)]bis[4,5-dihydro-; (E)-bis[1-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-ethyl]diazene; 2-(1-((1-(4,5-dihydro-1H-imidazol-2-yl)-1-methylethyl)diazenyl)-1-methylethyl)-4,5-dihydro-1H-imidazole; 2-(1-((1-(4,5-Dihydro-1H-imidazol-2-yl)-1-methylethyl)diazenyl)-1-methylethyl)-4,5-dihydro-1H-imidazole hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668414	.	.	.	.	250.34	C12H22N6	73.5	367	-0.2	18	2	4	4	"InChI=1S/C12H22N6/c1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10/h5-8H2,1-4H3,(H,13,14)(H,15,16)"	CC(C)(C1=NCCN1)N=NC(C)(C)C2=NCCN2	LWMFAFLIWMPZSX-UHFFFAOYSA-N
DG50708	3-Piperidino-2-phenylpropiophenone	89341	"3-Piperidino-2-phenylpropiophenone; Propiophenone, 2-phenyl-3-piperidino-; MLS002639477; 20451-28-9; 2-Phenyl-3-piperidino-propiophenone; NSC 33568; NSC33568; SCHEMBL6321267; CHEMBL1705928; HMS3091A09; NSC-33568; 1,2-Diphenyl-3-piperidino-1-propanone; SMR001548921; 1-Propanone,2-diphenyl-3-(1-piperidinyl)-; 1,2-diphenyl-3-(1-piperidinyl)-1-propanone; 1-Propanone, 1,2-diphenyl-3-(1-piperidinyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33568	.	.	.	.	293.4	C20H23NO	20.3	336	4.1	22	0	2	5	"InChI=1S/C20H23NO/c22-20(18-12-6-2-7-13-18)19(17-10-4-1-5-11-17)16-21-14-8-3-9-15-21/h1-2,4-7,10-13,19H,3,8-9,14-16H2"	C1CCN(CC1)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3	KJPKPBMWHKBKHG-UHFFFAOYSA-N
DG50709	"2-Amino-3,5-dinitrobenzonitrile"	89765	"2-Amino-3,5-dinitrobenzonitrile; 2-Cyano-4,6-dinitroaniline; 22603-53-8; Benzonitrile, 2-amino-3,5-dinitro-; UNII-RE81DV5UPA; RE81DV5UPA; EINECS 245-116-4; NSC510656; NSC 510656; SCHEMBL2954149; CHEMBL2007339; DTXSID6066812; 2-amino-3,5-dinitro-benzonitrile; ZINC4046765; STK377465; AKOS005449155; MCULE-1966229052; NSC-510656; NCI60_004230; A816536; 23057-66-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	510656	.	.	.	.	208.13	C7H4N4O4	141	324	1.2	15	1	6	0	"InChI=1S/C7H4N4O4/c8-3-4-1-5(10(12)13)2-6(7(4)9)11(14)15/h1-2H,9H2"	C1=C(C=C(C(=C1C#N)N)[N+](=O)[O-])[N+](=O)[O-]	RIYSFSQPHCAGLS-UHFFFAOYSA-N
DG50710	Cinchonine	90454	"cinchonine; 118-10-5; (+)-Cinchonine; D-Cinchonine; Cinchonan-9-ol, (9S)-; (8R,9S)-Cinchonine; (9S)-Cinchonan-9-ol; (+)-Cinconine; TCMDC-123933; cinchonin; UNII-V43X79NZCD; (+)-cinchonin; GNF-Pf-3189; MFCD00064372; V43X79NZCD; CHEBI:27509; NSC-6176; (1S)-Quinolin-4-yl((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol; NSC6176; .alpha.-Quinidine; (S)-Quinolin-4-yl-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol; 2-Quinuclidinemethanol, alpha-4-quinolyl-5-vinyl-; (+)-Quinolin-4-yl(5-vinylquinuclidin-2-yl)methanol; (S)-quinolin-4-yl((1S,2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol; NSC 6176; EINECS 204-234-6; CINCHORINE; AI3-09058; Prestwick3_000608; 2-Quinuclidinemethanol, .alpha.-4-quinolyl-5-vinyl-; (+)-Cinchonine, 85%; (+)-Cinchonine; >99%; BSPBio_000516; MLS002153907; SCHEMBL158394; alpha-(5-Vinyl-2-quinuclidinyl)-4-quinolinemethanol; 2-Quinuclidinemethanol, alpha-(5-vinyl-2-quinolyl)-; BPBio1_000568; CHEMBL588619; MEGxp0_001905; DTXSID6045082; ACon0_001352; ACon1_000336; HMS2096J18; HMS2235N18; HY-Y0152; ZINC3881680; (+)-Cinchonine, analytical standard; BDBM50370411; AKOS015895982; LA40221; NCGC00169174-01; NCGC00169174-02; NCGC00262542-03; DS-15267; NCI60_005298; SMR001233256; Cinchonine, crystallized, >=98.0% (NT); AB00374715; CS-0008420; O10016; WLN: T66 BNJ EYQ-DT66 A B CNTJ A1U1; Q2972710; BRD-K90268819-001-03-4; 2-Quinuclidinemethanol, .alpha.-(5-vinyl-2-quinolyl)-; NCGC00262542-03_C19H22N2O_(9S)-Cinchonan-9-ol; (S)-4-quinolyl-[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methanol; (S)-quinolin-4-yl((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol; (S)-Quinolin-4-yl((1S,2R,4S,5S)-5-vinylquinuclidin-2-yl)methanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6176	.	.	.	.	294.4	C19H22N2O	36.4	412	2.7	22	1	3	3	"InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19-/m0/s1"	C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O	KMPWYEUPVWOPIM-QAMTZSDWSA-N
DG50711	4-[6-(4-Hydroxyphenyl)hexyl]phenol	90481	"3682-95-9; 4,4'-(Hexane-1,6-diyl)diphenol; 24362-98-9; 4-[6-(4-hydroxyphenyl)hexyl]phenol; NSC19781; Phenol, 4,4'-(1,6-hexanediyl)bis-; 4,4'-(Hexamethylene)bisphenol; SCHEMBL5684044; 1,6-bis(p-hydroxyphenyl)hexane; 1,6-Bis(4-hydroxyphenyl)hexane; DTXSID40897390; ZINC1842893; EINECS 246-208-7; NSC-19781; DS-014793"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19781	.	.	.	.	270.4	C18H22O2	40.5	212	5.4	20	2	2	7	"InChI=1S/C18H22O2/c19-17-11-7-15(8-12-17)5-3-1-2-4-6-16-9-13-18(20)14-10-16/h7-14,19-20H,1-6H2"	C1=CC(=CC=C1CCCCCCC2=CC=C(C=C2)O)O	AYADRHKBOQJWQG-UHFFFAOYSA-N
DG50712	3-Dimethylamino-2-phenylpropiophenone hydrochloride	91378	"25287-79-0; MLS000077224; SMR000008711; NSC 33548; 3-Dimethylamino-1,2-diphenyl-propan-1-one; 3-Dimethylamino-2-phenylpropiophenone hydrochloride; beta-Dimethylamino-alpha-phenylpropiophenonehydrochloride; Propiophenone, 3-(dimethylamino)-2-phenyl-, hydrochloride; CHEMBL1584502; NSC33548; NSC-33548; 1-Propanone,2-diphenyl-, hydrochloride; SR-01000312941; SR-01000312941-1; .beta.-Dimethylamino-.alpha.-phenylpropiophenone hydrochloride; 1-Propanone, 3-(dimethylamino)-1,2-diphenyl-, hydrochloride (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33548	.	.	.	.	289.8	C17H20ClNO	20.3	275	.	20	1	2	5	"InChI=1S/C17H19NO.ClH/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15;/h3-12,16H,13H2,1-2H3;1H"	CN(C)CC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2.Cl	BLOKTSBTOMCITO-UHFFFAOYSA-N
DG50713	Terreic acid	91437	"Terreic acid; (-)-Terreic Acid; 121-40-4; (1R,6S)-3-Hydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione; UNII-XM2Y0DRJ7D; XM2Y0DRJ7D; NSC294734; (1R,6S)-3-Hydroxy-4-methyl-7-oxabicyclo(4.1.0)hept-3-ene-2,5-dione; 5,6-Epoxy-3-hydroxy-p-toluquinone; NSC 294734; 2-Hydroxy-3-methyl-1,4-benzoquinone 5,6-epoxide; BiomolKI_000073; (1R)-3-Hydroxy-4-methyl-7-oxabicyclo(4.1.0)hept-3-ene-2,5-dione; BiomolKI2_000077; 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-hydroxy-4-methyl-, stereoisomer; SCHEMBL51229; CHEMBL1455300; DTXSID40879070; CHEBI:156546; HMS3267H06; HMS3412M22; HMS3676M22; 3-Hydroxy-4-methyl-7-oxabicyclo(4.1.0)hept-3-ene-2,5-dione; 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-hydroxy-4-methyl-, (1R)-; AKOS006281919; ZINC100057173; CCG-100677; NSC-294734; SMP2_000322; NCGC00025148-02; NCGC00025148-03; NCI60_002449; HY-110013; CS-0032828; (-)-Terreic Acid, Synthetic - CAS 121-40-4; SR-01000597558; SR-01000597558-1; Q27293905; 7-Oxabicyclo[4.1.0]hept-3-ene-2, 3-hydroxy-4-methyl-, (1R-cis)-; 7-Oxabicyclo[4.1.0]hept-3-ene-2,5-dione,3-hydroxy-4-methyl-,(1R,6S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294734	.	.	.	.	154.12	C7H6O4	66.9	289	-0.2	11	1	4	0	"InChI=1S/C7H6O4/c1-2-3(8)5(10)7-6(11-7)4(2)9/h6-8H,1H3/t6-,7+/m1/s1"	CC1=C(C(=O)[C@H]2[C@@H](C1=O)O2)O	ATFNSNUJZOYXFC-RQJHMYQMSA-N
DG50714	Streptovitacin A	91467	"Streptovitacin A; Resactin A; Streptovitacin; 523-86-4; NSC 39147; U 9361; U-9361; MLS002702844; 4-[2-Hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl]piperidine-2,6-dione; NSC39147; 3-(2-Hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl)glutarimide; NSC39147;U 9361; SMR001566667; Glutarimide, 3-(2-hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl)-, (-)-; 2,6-Piperidinedione, 4-(2-hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl)-; 2,6-Piperidinedione, 4-(2-hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl)- (9CI); AI3-50150; 3-[2-Hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl]glutarimide; 2,6-Piperidinedione, 4-[2-hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl]-; 4-hydroxycycloheximide; STREPTOVITACIN-A; cid_91467; CHEMBL509617; BDBM93498; DTXSID00911602; NSC-39147; NCI60_003701; Glutarimide,5-dimethyl-2-oxocyclohexyl)ethyl]-; WLN: T6VMVTJ EYQ1- BL6VTJ DQ D1 F1; Glutarimide,5-dimethyl-2-oxocyclohexyl)ethyl]-,(-)-; Glutarimide,5-dimethyl-2-oxocyclohexyl)ethyl]-, (-)-; 2, 4-[2-hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl]-; 4-[2-hydroxy-2-(5-hydroxy-2-keto-3,5-dimethyl-cyclohexyl)ethyl]piperidine-2,6-quinone; 4-[2-hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxo-cyclohexyl)ethyl]piperidine-2,6-dione; 4-[2-Hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl]-2,6-piperidinedione #; 11034-42-7; 2,6-Piperidinedione, 4-(2-hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl)- (VAN) (9CI); 4-[2-(3,5-dimethyl-5-oxidanyl-2-oxidanylidene-cyclohexyl)-2-oxidanyl-ethyl]piperidine-2,6-dione; 6-Hydroxy-4-[2-hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl]-4,5-dihydropyridin-2(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39147	.	.	.	.	297.35	C15H23NO5	104	447	-0.7	21	3	5	3	"InChI=1S/C15H23NO5/c1-8-6-15(2,21)7-10(14(8)20)11(17)3-9-4-12(18)16-13(19)5-9/h8-11,17,21H,3-7H2,1-2H3,(H,16,18,19)"	CC1CC(CC(C1=O)C(CC2CC(=O)NC(=O)C2)O)(C)O	NFDQYBUVHVRNNY-UHFFFAOYSA-N
DG50715	Diethyltin dichloride	91491	"Diethyltin dichloride; 866-55-7; Diethyldichlorotin; Dichlorodiethylstannane; Dichlorodiethyltin; Diethyltindichloride; Dichloro(diethyl)stannane; Stannane, dichlorodiethyl-; Diethyldichlorostannane; Tin, dichlorodiethyl-; Stannane,dichlorodiethyl-; Tin, diethyl-, dichloride; UNII-PGA900D045; PGA900D045; NSC302600; Diethyltin chloride; Diethylstannyl dichloride; Diethylstannium dichloride; Dichlorodiethyltin; Diethyldichlorostannane; Diethyldichlorotin; Diethylstannyl dichloride; Diethyltin dichloride; NSC 302600; Diaethylzinndichlorid; Diaethylzinndichlorid [German]; EINECS 212-750-8; NSC 302600; Diethyl dichloro tin; SCHEMBL183452; WLN: G-SN-G2&2; DTXSID20235690; MFCD00013609; AKOS015838484; ZINC195768219; NSC-302600; NCI60_002555; 3-[(3-Morpholinopropyl)amino]propionitrile; DB-056946; FT-0633037; Q27286547"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302600	.	.	.	.	247.74	C4H10Cl2Sn	0	47.7	.	7	0	0	2	"InChI=1S/2C2H5.2ClH.Sn/c2*1-2;;;/h2*1H2,2H3;2*1H;/q;;;;+2/p-2"	CC[Sn](CC)(Cl)Cl	YFAXVVMIXZAKSR-UHFFFAOYSA-L
DG50716	Ethyl phenylpropiolate	91516	"Ethyl phenylpropiolate; 2216-94-6; Ethyl 3-phenylprop-2-ynoate; Ethyl 3-phenylpropiolate; Ethylphenylpropiolate; Ethyl 3-phenylpropynoate; 2-Propynoic acid, 3-phenyl-, ethyl ester; Ethyl phenylpropriolate; Ethyl phenylacetylenecarboxylate; Ethyl phenylpropynoate; Phenylpropiolic Acid Ethyl Ester; UNII-09CYB3Z9MR; NSC 41566; Propiolic acid, phenyl-, ethyl ester; Phenylacetylene monocarboxylic acid ethyl ester; 09CYB3Z9MR; MFCD00009185; 3-Phenyl-2-propynoic acid ethyl ester; 3-phenyl-prop-2-ynoic acid ethyl ester; Ethyl 3-phenyl-2-propynoate; CCRIS 4504; EINECS 218-703-8; BRN 0639637; AI3-04344; ethylphenylpropalate; Ethyl Phenylpropargylate; phenylacetylenecarboxylic acid ethyl ester; ethyl-3-phenylpropiolate; Ethyl phenylpropiolate, 98%; 4-09-00-02328 (Beilstein Handbook Reference); SCHEMBL852513; CHEMBL1992423; DTXSID9074858; Ethyl 3-phenyl-2-propynoate #; phenyl propynoic acid ethyl ester; phenyl-propynoic acid ethyl ester; phenylpropargylic acid ethyl ester; 3-Phenylpropynic acid ethyl ester; Ethyl 2-phenylacetylenecarboxylate; 3-Phenylpropiolic acid ethyl ester; ZINC391876; NSC41566; 5854AF; NSC-41566; AKOS007930276; ETHYL 3-PHENYLPROPIOLATE, 98%,; AS-58137; NCI60_003943; SY010778; DB-045828; CS-0066796; FT-0625789; P0814; P-4210; W18306; 2-Propynoic acid, 3-phenyl-, ethyl ester (9CI); Q26841274; F0001-0782; EPP"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	41566	.	.	.	.	174.2	C11H10O2	26.3	225	2.7	13	0	2	3	"InChI=1S/C11H10O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2H2,1H3"	CCOC(=O)C#CC1=CC=CC=C1	ACJOYTKWHPEIHW-UHFFFAOYSA-N
DG50717	Anguidin	91518	"Diacetoxyscirpenol; Anguidin; Anguidine; 2270-40-8; CHEBI:4478; Scirpenetriol 4,15-diacetate; NSC177378; MM 4462; Diacetoxyscirpenol 100 microg/mL in Acetonitrile; 4.beta.,13-epoxytrichothec-9-ene; NSC141537; Diacetoxy scirpend; ANGUIDINE ANALOG DIACETOXYSCIRPENOL; Trichothec-9-ene-3,15-triol, 12,13-epoxy-, 4,15-diacetate; Trichothec-9-ene,13-epoxy-4.beta.,15-diazetoxy-3.alpha.-hydroxy-; CHEMBL2005379; SCHEMBL16444688; Trichothec-9-ene-3.alpha.,15-triol, 12,13-epoxy-, 4,15-diacetate; Trichothec-9-ene-3,15-triol, 12,13-epoxy-, 4,15-diacetate, (3.alpha.,4.beta.)-; Diacetoxyscirpenol Standard Solution; ZINC4098261; AKOS030213162; CCG-208424; NSC-177378; AS-57020; NCI60_001481; A12296; Q426731; [(2R)-acetoxy-hydroxy-dimethyl-spiro[[ ]-2,2'-oxirane]yl]methyl acetate; Trichothec-9-3n3-3,4,15-triol, 12,13-epoxy-, 4,15-diacetate, (3.alpha.,4.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141537	.	.	.	.	366.4	C19H26O7	94.6	687	0.2	26	1	7	5	"InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17-,18-,19-/m1/s1"	CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)OC(=O)C)C)COC(=O)C	AUGQEEXBDZWUJY-ZLJUKNTDSA-N
DG50718	trans-4-OH CCNU	92073	"trans-4-OH CCNU; 52049-26-0; 1-(2-chloroethyl)-3-(4-hydroxycyclohexyl)-1-nitrosourea; NSC-239717; 56239-24-8; NSC 239724; cis-4-Hydroxy-lomustine; Urea, 1-(2-chloroethyl)-3-(cis-4-hydroxycyclohexyl)-1-nitroso-; 4-Hydroxylomustine; cis-4-Hydroxy CCNU; cis-4-OH CCNU; trans-4-Hydroxy CCNU; Urea, 1-(2-chloroethyl)-3-(trans-4-hydroxycyclohexyl)-1-nitroso-; cis-4-Hydroxy-ccnu; trans-4-Hydroxy-ccnu; cis-4-OH-CCNU; NSC 239717; 1-(2-Chloroethyl)-3-(cis-4-hydroxycyclohexyl)-1-nitrosourea; 1-(2-Chloroethyl)-3-(trans-4-hydroxycyclohexyl)-1-nitrosourea; N-(2-Chloroethyl)-N'-(trans-4-hydroxycyclohexyl)-N-nitrosourea; trans-4-Hydroxy-lomustine; SCHEMBL3341308; SCHEMBL3341311; CHEMBL1970179; CHEMBL2051940; DTXSID30879605; ZINC5133452; NSC239717; NSC239724; NSC240024; NSC240025; Urea, N-(2-chloroethyl)-N'-(4-hydroxycyclohexyl)-N-nitroso-, cis- (9CI); NSC-239724; NSC-240024; NSC-240025; NCI60_001924; DS-016003; 1-NO-1(2CLET)-3(4-OH CYHEXYL)UREA; 1-(2-Chloroethyl)-3-(4alpha-hydroxycyclohexan-1alpha-yl)-1-nitrosourea; Urea, N-(2-chloroethyl)-N'-(4-hydroxycyclohexyl)-N-nitroso-, trans- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	239724	.	.	.	.	249.69	C9H16ClN3O3	82	244	1.1	16	2	4	3	"InChI=1S/C9H16ClN3O3/c10-5-6-13(12-16)9(15)11-7-1-3-8(14)4-2-7/h7-8,14H,1-6H2,(H,11,15)"	C1CC(CCC1NC(=O)N(CCCl)N=O)O	BTNKSMIZKSHDNT-UHFFFAOYSA-N
DG50719	Tylophorine	92114	"Tylophorine; Tylophorin; 482-20-2; UNII-O41630Y8V3; CHEBI:9786; (+)-Tylophorine; O41630Y8V3; (S)-2,3,6,7-tetramethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline; (+)-(S)-Tylophorine; DCB-3500; Dibenzo[f,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,6,7-tetramethoxy-, (S)-; (13aS)-2,3,6,7-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine; NSC 76387; SCHEMBL523625; CHEMBL250426; DTXSID30964025; NSC76387; ZINC4098809; NSC-76387; NSC717335; NSC-717335; NCI60_040526; NCI60_041685; Q27108498; 2,6,7-Tetramethoxyphenanthro[9,10:6',7']indolizidine; UNII-279QJO8N7H component SSEUDFYBEOIWGF-AWEZNQCLSA-N; 2,3,6,7-Tetramethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline; 9,12,13,13a,14-Hexahydro-2,3,6,7-tetramethoxydibenzo[f,h]pyrrolo[1,2-b]isoquinoline; Dibenzo[f,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,6,7-tetramethoxy-; Dibenzo[f,2-b]isoquinoline,9,11,12,13,13a,14-hexahydro-2,3,6,7-tetramethoxy-, (13aS)-; (S)-9,11,12,13,13a,14-Hexahydro-2,3,6,7-tetramethoxydibenzo(f,h)pyrrolo(1,2-b)isoquinoline; Dibenzo(f,h)pyrrolo(1,2-b)isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,6,7-tetramethoxy-, (S)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76387	.	.	.	.	393.5	C24H27NO4	40.2	573	4.7	29	0	5	4	"InChI=1S/C24H27NO4/c1-26-21-9-16-15-8-14-6-5-7-25(14)13-20(15)19-12-24(29-4)23(28-3)11-18(19)17(16)10-22(21)27-2/h9-12,14H,5-8,13H2,1-4H3/t14-/m0/s1"	COC1=C(C=C2C(=C1)C3=C(CN4CCC[C@H]4C3)C5=CC(=C(C=C52)OC)OC)OC	SSEUDFYBEOIWGF-AWEZNQCLSA-N
DG50720	beta-Peltatin	92122	"beta-Peltatin; beta-Peltatin A; 518-29-6; PELTATIN B; Peltatin methyl ether; PELTATIN, BETA; PELTATIN; NSC 24819; UNII-3U9W61G72Y; (-)-beta-peltatin; BRN 0099483; AI3-50532; NSC24819; CHEBI:74867; 3U9W61G72Y; NSC35471; .alpha.-Peltalin A; (5aR,8aR,9R)-4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; .beta.-Peltatin; .beta.-Peltatin A; alpha-Peltalin A; MLS002702982; beta-peltatin-a; Peltatin, beta-; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.)]-; .beta.-Peltatin-B; (-)-; A-Peltatin; Spectrum_001780; Spectrum3_001096; Spectrum4_001925; Spectrum5_001882; BSPBio_002772; KBioGR_002270; KBioSS_002261; 5-19-10-00670 (Beilstein Handbook Reference); CHEMBL97543; SCHEMBL516627; SPECTRUM1504739; KBio2_002260; KBio2_004828; KBio2_007396; KBio3_001992; DTXSID10199732; ZINC3871713; NSC-24819; NSC-35471; SDCCGMLS-0066768.P001; NCGC00161926-01; NCGC00161926-02; NCI60_001982; XP178053; BRD-K13265046-001-02-1; Q27144976; (5aR,8aR,9R)-4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one; (5R,5aR,8aR)-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R-(5alpha,5abeta,8aalpha))- (9CI); Naphtho[2,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-9-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, .gamma.-lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24819	.	.	.	.	414.4	C22H22O8	92.7	629	2.9	30	1	8	4	"InChI=1S/C22H22O8/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11-,17+,18-/m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@@H](CC4=C(C5=C(C=C24)OCO5)O)COC3=O	HLBPOYVRLSXWJJ-PDSMFRHLSA-N
DG50721	alpha-Peltatin	92129	"alpha-Peltatin; alpha-Peltatin A; 568-53-6; PELTATIN, ALPHA; UNII-EHO76Y1JAO; .alpha.-Peltatin; NCI 1074; NSC 24817; PELTATIN A; NSC24817; EHO76Y1JAO; CHEBI:10324; NCI-1074; Peltatin-A; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.)]-; Naphtho[2,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-7-(hydroxymethyl)-, .gamma.-lactone; CHEMBL95972; SCHEMBL15220296; DTXSID30205349; NSC35463; ZINC3776888; NSC-24817; NSC-35463; (5aR,8aR,9R)-4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-; NCI60_001980; Q27108616; (5aR,8aR,9R)-4-hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one; (5R,5aR,8aR)-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one; [5R-(5alpha,5aalpha,5abeta,8aalpha)]-5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',3':6,7]naphtho[2,3-d]-1,3-dioxo-6(5aH)-one; 8-hydroxy-2-hydroxymethyl-6,7-methylenedioxy-4-(4'-hydroxy-3',5'-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-3-carboxylic acid lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24817	.	.	.	.	400.4	C21H20O8	104	614	2.6	29	2	8	3	"InChI=1S/C21H20O8/c1-25-13-4-9(5-14(26-2)19(13)23)16-11-6-15-20(29-8-28-15)18(22)12(11)3-10-7-27-21(24)17(10)16/h4-6,10,16-17,22-23H,3,7-8H2,1-2H3/t10-,16+,17-/m0/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@@H](CC4=C(C5=C(C=C24)OCO5)O)COC3=O	JGGWNGRBXJWAOC-HKJPBSJPSA-N
DG50722	Formyl Violet	92206	"Formyl Violet; Violet bnp; Acid Violet ACS; Food Violet 1; Acid Violet 4BO; Acid Violet 5BS; Amacid Violet 3B; Erio Violet 6BN; Violet S4R; Derma Violet 4BR; Solar Violet 4BN; Violet 2EMBL; Bucacid Wool Violet; Fenazo Violet X4B; Formyl Violet S4B; Hidacid Wool Violet; Burmese Violet 4BO; Fast Acid Violet B; Leather Violet S4B; Milling Violet S4B; Formyl Violet S4BA; Pontacyl Violet C4B; Pontacyl Violet S4B; Vondamol Violet S4B; Merantine Violet S4B; Airedale Violet 4BNS; Calcocid Violet 4BXN; Hispacid Violet X4BF; Pontacyl Violet C4BN; Acid Leather Violet B; 1942 Violet; C.I. Food Violet 1; Acid Leather Violet 2B; Acid Leather Violet 3B; Coomassie Lake Violet R; Mitsui Acid Violet 5BN; Metamine Fast Violet 4B; Brilliant Acid Violet 4B; Sumitomo Acid Violet 5BN; Shimazaki Acid Violet 5BN; Acidal Brilliant Violet 2B; Acidal Brilliant Violet 6B; Cetil Brilliant Violet S4B; Tertracid Milling Violet 4B; Naphthalene Leather Violet R; Brilliant Milling Violet S4B; C.I. Acid Violet 17, sodium salt; C.I. 42650; SCHEMBL14400200; NSC5019; NSC-5019; NSC71963; ZINC4365635; NSC-71963; N-(3-Sulfonatobenzyl)-N-ethyl-4-[alpha-[4-(diethylamino)phenyl]-4-[ethyl(3-sulfonatobenzyl)amino]benzylidene]-2,5-cyclohexadienylideneiminium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5019	.	.	.	.	741	C41H46N3O6S2+	135	1390	6.9	52	2	8	14	"InChI=1S/C41H45N3O6S2/c1-5-42(6-2)36-21-15-33(16-22-36)41(34-17-23-37(24-18-34)43(7-3)29-31-11-9-13-39(27-31)51(45,46)47)35-19-25-38(26-20-35)44(8-4)30-32-12-10-14-40(28-32)52(48,49)50/h9-28H,5-8,29-30H2,1-4H3,(H-,45,46,47,48,49,50)/p+1"	CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC3=CC(=CC=C3)S(=O)(=O)O)C=C2)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)O	BTWMAWYAYFSBNC-UHFFFAOYSA-O
DG50723	Trimelamol	92368	"Trimelamol; Trimethyl TMM; 64124-21-6; Trimethyloltrimethylmelamine; NSC 283162; NSC283162; UNII-UST4Z70290; ((s-Triazine-2,4,6-triyl)trimethyltrinitrilo)trimethanol; UST4Z70290; Methanol, ((s-triazine-2,4,6-triyl)trimethyltrinitrilo)tri-; Methanol, (1,3,5-triazine-2,4,6-triyltris(methylimino))tris-; BRN 4261541; CB 10375; CB-10-375; NCIMech_000583; CHEMBL133987; SCHEMBL1419460; DTXSID70214334; CCG-35699; N(2),N(4),N(6)-trihydroxymethyl-N(2),N(4),N(6)-trimethylmelamine; NSC-283162; CB-10375; NCI60_002322; Methanol,3,5-triazine-2,4,6-triyltris(methylimino)]tris-; ((1,3,5-Triazine-2,4,6-triyl)tris(methylazanediyl))trimethanol; Methanol, {[1,3,5-triazine-2,4,6-triyltris(methylimino)]tris-}; ((4,6-Bis((hydroxymethyl)(methyl)amino)-1,3,5-triazin-2-yl)(methyl)amino)methanol; [(4,6-Bis[(hydroxymethyl)(methyl)amino]-1,3,5-triazin-2-yl)(methyl)amino]methanol #; [[4,6-bis[hydroxymethyl(methyl)amino]-1,3,5-triazin-2-yl]-methyl-amino]methanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	283162	.	.	.	.	258.279	C9H18N6O3	109	196	0.4	18	3	9	6	"InChI=1S/C9H18N6O3/c1-13(4-16)7-10-8(14(2)5-17)12-9(11-7)15(3)6-18/h16-18H,4-6H2,1-3H3"	CN(CO)C1=NC(=NC(=N1)N(C)CO)N(C)CO	MHVFYGIQJNFWGQ-UHFFFAOYSA-N
DG50724	"1H-Imidazole-1-acetamide, N,N-bis(2-hydroxyethyl)-2-nitro-"	92390	"1H-Imidazole-1-acetamide, N,N-bis(2-hydroxyethyl)-2-nitro-; 74141-74-5; SR 2555; N,N-Di-(2-hydroxyethyl)-2-(2-nitro-1-imidazolyl)acetamide; NSC314055; SR-2555; MLS003115926; CHEMBL188374; N,N-bis(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide; NCI-314055; NSC 314055; TX 1892; N,N-Bis(2-hydroxyethyl)-2-nitro-1H-imidazole-1-acetamide; SCHEMBL11179190; DTXSID40225114; ZINC1570736; BDBM50154448; NSC-314055; NCI60_002708; SMR001831488; 1H-Imidazole-1-acetamide,N-bis(2-hydroxyethyl)-2-nitro-; N,N-Bis(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-yl)acetamide #; N,N-Bis-(2-hydroxy-ethyl)-2-(2-nitro-imidazol-1-yl)-acetamide; N,N-Bis(2-hydroxyethyl)-2-(2-(hydroxy(oxido)amino)-1H-imidazol-1-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	314055	.	.	.	.	258.23	C9H14N4O5	124	289	-1.6	18	2	6	6	"InChI=1S/C9H14N4O5/c14-5-3-11(4-6-15)8(16)7-12-2-1-10-9(12)13(17)18/h1-2,14-15H,3-7H2"	C1=CN(C(=N1)[N+](=O)[O-])CC(=O)N(CCO)CCO	KGFGBSRVWKBWIC-UHFFFAOYSA-N
DG50725	8-Hydroxy-7-(6-sulfo-naphthalen-2-ylazo)-quinoline-5-sulfonic acid	92577	"56990-57-9; NSC-87877; NSC 87877; NSC87877; CHEMBL472004; 8-Hydroxy-7-(6-sulfo-naphthalen-2-ylazo)-quinoline-5-sulfonic acid; 5-Quinolinesulfonic acid, 8-hydroxy-7-(6-sulfo-2-naphthylazo)-; 8-HYDROXY-7-[(6-SULFO-2-NAPHTHYL)AZO]-5-QUINOLINESULFONIC ACID; 5-Quinolinesulfonicacid, 8-hydroxy-7-[2-(6-sulfo-2-naphthalenyl)diazenyl]-; (E)-8-hydroxy-7-((6-sulfonaphthalen-2-yl)diazenyl)quinoline-5-sulfonic acid; NCGC00013917; NCIStruc1_001562; NCIStruc2_001738; MLS006010814; CHEMBL1208151; CHEMBL1404918; SCHEMBL13738901; SCHEMBL14154415; SCHEMBL22494078; CHEBI:95064; SYN5212; C19H13N3O7S2; BDBM152210; HMS3742K15; NCI87877; ZINC3954176; BDBM50087879; CCG-37311; ZINC12405220; ZINC33838224; 8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid; AKOS024457197; ZINC100132978; ZINC100428951; ZINC257350971; NCGC00013917-02; NCGC00013917-08; NCGC00013917-09; NCGC00097026-01; NCGC00346803-01; AS-16570; HY-18756; NCI60_041943; SMR004701746; CS-0014260; A899784; Q27166834; 8-hydroxy-7-((6-sulfo-2-naphthyl)diazenyl)-5-quinolinesulfonic acid; 8-hydroxy-7-((6-sulfonaphthalen-2-yl) diazenyl)quinoline-5-sulfonic acid; 8-hydroxy-7-[(6-sulfonaphthalen-2-yl)diazenyl]quinoline-5-sulfonic acid; 8-hydroxy-7-[(E)-(6-sulfo-2-naphthyl)azo]quinoline-5-sulfonic acid; 8-oxo-7-[(6-sulfo-2-naphthalenyl)hydrazinylidene]-5-quinolinesulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87877	.	.	.	.	459.5	C19H13N3O7S2	183	883	2.4	31	3	10	4	"InChI=1S/C19H13N3O7S2/c23-19-16(10-17(31(27,28)29)15-2-1-7-20-18(15)19)22-21-13-5-3-12-9-14(30(24,25)26)6-4-11(12)8-13/h1-10,23H,(H,24,25,26)(H,27,28,29)"	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N
DG50726	Cryptopleurine	92765	"Cryptopleurine; 482-22-4; R-Cryptopleurine; CRYPTOPLEURINE (I); (-)-Cryptopleurine; NSC19912; UNII-3JZK58H75B; CHEBI:3932; (14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizine; 3JZK58H75B; (14ar)-2,3,6-Trimethoxy-11,12,13,14,14a,15-Hexahydro-9h-Dibenzo[f,H]pyrido[1,2-B]isoquinoline; 11,12,13,14,14a,15-Hexahydro-2,3,6-trimethoxy-9H-phenanthro(9,10-b)quinolizine; 9H-Dibenzo[f,h]pyrido[1,2-b]isoquinoline, 11,12,13,14,14a,15-hexahydro-2,3,6-trimethoxy-, (14aR)-; 9H-Dibenzo(f,h)pyrido(1,2-b)isoquinoline, 11,12,13,14,14a,15-hexahydro-2,3,6-trimethoxy-, (14aR)-; NSC 19912; CHEMBL198075; DTXSID3075414; SCHEMBL12780396; ZINC4098776; BDBM50478890; NSC-19912; NCI60_001653; Q27106253; 9H-Phenanthro[9, 11,12,13,14,14a,15-hexahydro-2,3,6-trimethoxy-; 9H-Phenanthro[9, 11,12,13,14,14a,15-hexahydro-2,3,6-trimethoxy-, (R)-; 3K8; 9H-Phenanthro(9,10-b)quinolizine, 11,12,13,14,14a,15-hexahydro-2,3,6-trimethoxy-, (R)- (9CI); 9H-Phenanthro[9,10-b]quinolizine, 11,12,13,14,14a,15-hexahydro-2,3,6-trimethoxy-, (14aR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19912	.	.	.	.	377.5	C24H27NO3	30.9	542	5.1	28	0	4	3	"InChI=1S/C24H27NO3/c1-26-16-7-8-17-19(11-16)21-13-24(28-3)23(27-2)12-20(21)18-10-15-6-4-5-9-25(15)14-22(17)18/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3/t15-/m1/s1"	COC1=CC2=C(C=C1)C3=C(C[C@H]4CCCCN4C3)C5=CC(=C(C=C52)OC)OC	RSHYSOGXGSUUIJ-OAHLLOKOSA-N
DG50727	3-(Dimethylamino)propiophenone hydrochloride	92844	"879-72-1; 3-Dimethylaminopropiophenone hydrochloride; 3-(Dimethylamino)propiophenone hydrochloride; 3-(dimethylamino)-1-phenylpropan-1-one hydrochloride; TCMDC-125532; 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride; beta-Dimethylaminopropiophenone hydrochloride; 3-(dimethylamino)-1-phenylpropan-1-one;hydrochloride; 3-DIMETHYLAMINOPROPIOPHENONE HCl; 3-Dimethylaminopropiophenonehydrochloride; 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1); WLN: 1N1&2VR &GH; (Dimethylamino)propiophenone hydrochloride; NSC 89; NSC629913; Dimethylaminoethylphenylketone hydrochloride; .beta.-(Dimethylamino)propiophenone hydrochloride; 3-dimethylamino-1-phenyl-1-propanone hydrochloride; EINECS 212-909-1; NSC 31269; Propiophenone, 3-(dimethylamino)-, hydrochloride; NSC89; SCHEMBL173470; CHEMBL528663; DTXSID9061253; NSC31269; BBL027796; MFCD00012481; NSC-31269; STL370397; AKOS005258675; ACN-049388; NSC-629913; 3-(Dimethylamino)-1-phenylpropan-1-one HCl; beta-Dimethylamino propiophenone hydrochloride; CS-0001978; D2400; FT-0622601; V1749; EN300-27417; D78507; 3-(Dimethylamino)propiophenone hydrochloride, 99%; 3-dimethylamino-1-phenyl-propan-1-one hydrochloride; J-640223; J-800224; W-100423"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89	.	.	.	.	213.7	C11H16ClNO	20.3	160	.	14	1	2	4	"InChI=1S/C11H15NO.ClH/c1-12(2)9-8-11(13)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H"	CN(C)CCC(=O)C1=CC=CC=C1.Cl	DKNDBIIKSJWQFL-UHFFFAOYSA-N
DG50728	Fluoroimide	93228	"Fluoroimide; 41205-21-4; Fluoromide; 3,4-Dichloro-1-(4-fluorophenyl)-1H-pyrrole-2,5-dione; Spat; Spartcide; MK 23; N-p-Fluorophenyl-2,3-dichloromaleimide; 2,3-Dichloro-N-4-fluorophenylmaleimide; 3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione; UNII-2RA6KRO7U9; 2RA6KRO7U9; 1H-Pyrrole-2,5-dione, 3,4-dichloro-1-(4-fluorophenyl)-; CHEBI:81826; NSC622384; BRN 1534427; Sparticide; SCHEMBL68964; CHEMBL1989810; DTXSID7058092; ZINC147913; MFCD00053087; AKOS000273474; DS-3252; MCULE-7835554825; NSC-622384; AC-25665; NCI60_006542; N-(4-fluorophenyl)-2,3-dichloromaleimide; CS-0157493; C18551; D97399; Fluoroimide, PESTANAL(R), analytical standard; Q19279670; 3,4-dichloro-1-(4-fluorophenyl)-1N-pyrrole-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622384	.	.	.	.	260.04	C10H4Cl2FNO2	37.4	351	2.8	16	0	3	1	InChI=1S/C10H4Cl2FNO2/c11-7-8(12)10(16)14(9(7)15)6-3-1-5(13)2-4-6/h1-4H	C1=CC(=CC=C1N2C(=O)C(=C(C2=O)Cl)Cl)F	IPENDKRRWFURRE-UHFFFAOYSA-N
DG50729	cis-Cccnu	93238	"cis-Cccnu; Cis-acid; NSC 153174; 42558-93-0; 42558-94-1; NSC-153174; Cyclohexanecarboxylic acid, 4-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, trans- (9CI); NSC 153175; 4-({[(2-chloroethyl)(nitroso)amino]carbonyl}amino)cyclohexanecarboxylic acid; cis-4-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexanecarboxylic acid; trans-4-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexanecarboxylic acid; Urea, 3-(4-carboxycyclohexyl)-1-(2-chloroethyl)-1-nitroso-, (E)-; CHEMBL12920; CHEMBL1964420; CHEMBL1990387; DTXSID40195343; NSC153174; NSC153175; ZINC16977208; cis-4-((((2-Chloroethyl)nitrosamino)carbonyl)amino)-cyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, (E)-; Cyclohexanecarboxylic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, (Z)-; NSC-153175; NCI60_001079; NCI60_001080; 4-(3-(2-chloroethyl)-3-nitrosoureido)-cis-cyclohexane-carboxylic acid; 4beta-[3-(2-Chloroethyl)-3-nitrosoureido]-1alpha-cyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 4-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, cis- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	153175	.	.	.	.	277.7	C10H16ClN3O4	99.1	318	1.7	18	2	5	4	"InChI=1S/C10H16ClN3O4/c11-5-6-14(13-18)10(17)12-8-3-1-7(2-4-8)9(15)16/h7-8H,1-6H2,(H,12,17)(H,15,16)"	C1CC(CCC1C(=O)O)NC(=O)N(CCCl)N=O	VGKZBAMIYUHSMU-UHFFFAOYSA-N
DG50730	Dichlorodipropylstannane	93562	"Dichlorodipropylstannane; 867-36-7; Dipropyltin dichloride; Stannane, dichlorodipropyl-; dichloro(dipropyl)stannane; Dichlorodipropyltin; Di-n-propyltin dichloride; Dipropyltin chloride; Tin, dichlorodipropyl-; UNII-714O4P8M1O; DI-N-PROPYL-TIN-DICHLORIDE; 714O4P8M1O; Di-n-propyltin-dichloride; Dipropylstannium dichloride; Tin, dipropyl-, dichloride; NSC 92618; Di-n-propyldichlorotin; di-n-Propyl tin dichloride; WLN: G-SN-G3&3; DTXSID20235776; NSC92618; dipropylstannanebis(ylium) dichloride; MFCD00053213; NSC-92618; AKOS015902833; ZINC170031905; GS-5709; DA-34908; FT-0699096; Di-n-propyltin dichloride 10 microg/mL in Isooctane; Di-n-propyltin Dichloride 1000 microg/mL in Methanol; Q27265926"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92618	.	.	.	.	275.79	C6H14Cl2Sn	0	65.5	.	9	0	0	4	"InChI=1S/2C3H7.2ClH.Sn/c2*1-3-2;;;/h2*1,3H2,2H3;2*1H;/q;;;;+2/p-2"	CCC[Sn](CCC)(Cl)Cl	CTRHCENQKGMZLE-UHFFFAOYSA-L
DG50731	1-(2-Thiazolylazo)-2-naphthol	93572	"1147-56-4; 1-(2-Thiazolylazo)-2-naphthol; ERGi-USU; 2-Naphthalenol, 1-(2-thiazolylazo)-; NSC139021; 1-(2-Thiazoylazo)-2-naphthol; MLS000738280; 2-Naphthol, 1-(2-thiazolylazo)-; TAN; 1-[2-(2-Thiazolyl)diazenyl]-2-naphthalenol; 2-Naphthalenol, 1-[2-(2-thiazolyl)diazenyl]-; SMR000528601; 1-(1,3-thiazol-2-yldiazenyl)-2-naphthol; (E)-1-(thiazol-2-yldiazenyl)naphthalen-2-ol; (1Z)-1-(2-thiazolylhydrazinylidene)-2-naphthalenone; 1-(Thiazol-2-ylazo)-2-naphthol; 61433-07-6; 2-Naphthalenol, 1-(2-(2-thiazolyl)diazenyl)-; EINECS 214-555-3; NSC 139021; 1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol; SCHEMBL2732737; 1-[2-(1,3-thiazol-2-yl)diazen-1-yl]naphthalen-2-ol; CHEMBL1511179; CHEMBL2094383; DTXSID7061566; BDBM55877; cid_6308684; GCBAKGGJQPMJLL-NTCAYCPXSA-; (1Z)-1-(1,3-thiazol-2-ylhydrazinylidene)naphthalen-2-one; HMS2862E06; DNDI1417016; MFCD00021611; ZINC18088711; AKOS015912775; AKOS028108903; ZINC100019655; ZINC100029799; ZINC100285890; ZINC253529435; MCULE-9767814356; NSC-139021; NCGC00246736-01; AS-66196; 2-Naphthol, 1-(2-thiazolylazo)- (8CI); DB-041231; HY-112158; CS-0043502; FT-0605571; A16901; T70103; (1Z)-1-(thiazol-2-ylhydrazono)naphthalen-2-one; A803224; AF-886/30582058; 1-[(E)-1,3-Thiazol-2-yldiazenyl]-2-naphthol #; 1-(2-Thiazolylazo)-2-naphthol, for spectrophotometric det. of Cd, Co, Cu, Mn, Ni, Tl, >=99.0%; TAN [=1-(2-THIAZOLYLAZO)-2-NAPHTHOL] [SPECTROPHOTOMETRIC REAGENT FOR TRANSITION METALS]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	139021	.	.	.	.	255.3	C13H9N3OS	86.1	313	4	18	1	5	2	"InChI=1S/C13H9N3OS/c17-11-6-5-9-3-1-2-4-10(9)12(11)15-16-13-14-7-8-18-13/h1-8,17H"	C1=CC=C2C(=C1)C=CC(=C2N=NC3=NC=CS3)O	IOMXCGDXEUDZAK-UHFFFAOYSA-N
DG50732	Mansonone F	94304	"Mansonone F; 5090-88-0; UNII-BZI06H42QB; BZI06H42QB; Naphtho[1,8-bc]pyran-7,8-dione, 3,6,9-trimethyl-; Naphtho(1,8-bc)pyran-7,8-dione, 3,6,9-trimethyl- (8CI)(9CI); NSC 113136; CHEMBL197655; SCHEMBL3397051; WSRLWSPFIOAYST-UHFFFAOYSA-; DTXSID20198933; NSC113136; NSC-113136; Naphtho[1,8-dione, 3,6,9-trimethyl-; NCI60_000295; DS-001066; 3,6,9-Trimethylbenzo[de]chromene-7,8-dione; 3,6,9-Trimethylbenzo[de]chromene-7,8-dione #; 3,6,9-Trimethylnaphtho(1,8-bc)pyran-7,8-dione; 4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8-pentaene-10,11-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113136	.	.	.	.	240.25	C15H12O3	43.4	498	2	18	0	3	0	"InChI=1S/C15H12O3/c1-7-4-5-10-8(2)6-18-15-9(3)13(16)14(17)11(7)12(10)15/h4-6H,1-3H3"	CC1=C2C3=C(C=C1)C(=COC3=C(C(=O)C2=O)C)C	WSRLWSPFIOAYST-UHFFFAOYSA-N
DG50733	"2,5-Bis(1-aziridinyl)hydroquinone"	94797	"2,5-Bis(1-aziridinyl)hydroquinone; 2,5-Diaziridinylhydroquinone; 2588-34-3; 2,5-Bis(ethylamino)hydroquinone; 2,5-bis(aziridin-1-yl)benzene-1,4-diol; UNII-MH2KJH9QH5; MH2KJH9QH5; 2,5-bis-aziridin-1-yl-hydroquinone; 2,5-Dzhq; 2,5-Bis(1-aziridinyl)benzoquinone; NSC 3262; AI3-50677; 1,4-Benzenediol, 2,5-bis(1-aziridinyl)-; SCHEMBL11567310; 1, 2,5-bis(1-aziridinyl)-; DTXSID10180524; NSC3262; 2,5-bis-ethylenimino-hydroquinone; 2,5-Di(1-aziridinyl)hydroquinone; Hydroquinone,5-bis(1-aziridinyl)-; NSC-3262; ZINC1666671; AKOS024357160; MCULE-5277611758; DS-008397; Hydroquinone, 2,5-bis(1-aziridinyl)- (8CI); 1,4-BENZENEDIOL,2,5-BIS(1-AZIRIDINYL)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3262	.	.	.	.	192.21	C10H12N2O2	46.5	204	1	14	2	4	2	"InChI=1S/C10H12N2O2/c13-9-6-8(12-3-4-12)10(14)5-7(9)11-1-2-11/h5-6,13-14H,1-4H2"	C1CN1C2=CC(=C(C=C2O)N3CC3)O	XPZMWTZEBALMMC-UHFFFAOYSA-N
DG50734	Camphoric anhydride	94834	"Camphoric anhydride; 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione; d-Camphoric anhydride; 76-32-4; dl-Camphoric anhydride; 595-30-2; NSC4559; NSC60293; NSC657821; (1R)-Camphoric anhydride; (+/-)-camphoric anhydride; (-) camphoric anhydride; 1, 1,2,2-trimethyl-; SCHEMBL426068; 3-Oxabicyclo[3.2.1]octane-2,4-dione, 1,8,8-trimethyl-, (1S)-; 5,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione; CHEMBL1978242; 3-Oxabicyclo[3.2.1]octane-2,4-dione, 1,8,8-trimethyl-; DTXSID90871781; AMY31071; NSC-4559; NSC-60293; AKOS002162374; AKOS016290126; MCULE-1492270496; NSC-657821; NCI60_020164; FT-0623432; FT-0623433; FT-0624349; 3-Oxabicyclo[3.2.1]octane-2, 1,8,8-trimethyl-; F0848-0104; 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione #; 3-Oxabicyclo[3.2.1]octane-2, 1,8,8-trimethyl-, (.+-.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657821	.	.	.	.	182.22	C10H14O3	43.4	293	1.8	13	0	3	0	"InChI=1S/C10H14O3/c1-9(2)6-4-5-10(9,3)8(12)13-7(6)11/h6H,4-5H2,1-3H3"	CC1(C2CCC1(C(=O)OC2=O)C)C	VFZDNKRDYPTSTP-UHFFFAOYSA-N
DG50735	"2-Nitrophenanthrene-9,10-dione"	94860	"2-nitrophenanthrene-9,10-dione; 604-95-5; 2-Nitrophenanthraquinone; 2-Nitro-9,10-phenanthrenedione; 9,10-Phenanthrenedione, 2-nitro-; NSC-23180; CHEMBL433282; NSC23180; PD081126; 9, 2-nitro-; NSC5425; 2-nitro-9,10-phenanthrenequinone; 2-nitro-9,10-dihydrophenanthrene-9,10-dione; SCHEMBL2599395; BDBM22858; DTXSID90209161; 1,2-Dione-Based Compound, 15; NSC 5425; NSC-5425; ZINC1686937; NSC 23180; STK246885; AKOS001483088; CCG-354139; MCULE-2114795800; BP-22843; SR-01000388930; SR-01000388930-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5425	.	.	.	.	253.21	C14H7NO4	80	428	2.3	19	0	4	0	InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H	C1=CC=C2C(=C1)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O	KNAXWOBOCVVMST-UHFFFAOYSA-N
DG50736	"Naphtho[1,2-d]thiazol-2-amine"	94880	"Naphtho[1,2-d]thiazol-2-amine; 40172-65-4; 2-Amino-beta-naphthothiazole; SKA-31; Naphtho[1,2-d]thiazol-2-ylamine; SKA 31; 2-Aminonaphthiazole; naphtho[1,2-d][1,3]thiazol-2-amine; benzo[e][1,3]benzothiazol-2-amine; 2-Aminonaphtho(1,2-d)thiazole; 2-Aminonaphtho[1,2-d]thiazole; UNII-SW12CAS9T7; SW12CAS9T7; 2-Amino-.beta.-naphthothiazole; Naphtho(1,2-d)thiazol-2-amine; MFCD00051329; C11H8N2S; NSC6278; NSC 6278; EINECS 254-822-1; thiazol-2-amine, 4; SKA31; Oprea1_123745; Oprea1_842194; MLS001143367; 2-Aminonaphtho(1,2)thiazole; GTPL2335; SCHEMBL1801464; CHEMBL1709719; DTXSID2068216; BDBM31193; naphtho[1,2-d]thiazole-2-amine; HMS2791B03; HMS3414E13; HMS3678E13; ALBB-031233; AMY36754; BCP30681; NSC-6278; ZINC8580408; STK396352; AKOS000111744; CCG-276748; CS-W015606; MCULE-6174926124; 2-AMINO-NAPHTHO[1,2-D]THIAZOLE; BS-17220; SKA-31, >=98% (HPLC); SMR000473202; HY-111655; B7462; BB 0216544; EU-0033434; FT-0611254; Naphtho[1,2-d][1,3]thiazol-2-ylamine #; EN300-02524; SR-01000389020; SR-01000389020-1; Q27088806; Z56887668; F0349-2149; F1386-0401; 111886-81-8; SKA 31; SKA31;Naphtho[1,2-d]thiazol-2-ylamine; 2-Amino-beta-naphthothiazole; 2-Aminonaphthiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6278	.	.	.	.	200.26	C11H8N2S	67.2	221	3.3	14	1	3	0	"InChI=1S/C11H8N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H2,12,13)"	C1=CC=C2C(=C1)C=CC3=C2N=C(S3)N	FECQXVPRUCCUIL-UHFFFAOYSA-N
DG50737	6-Hydrazinopurine	94902	"6-Hydrazinopurine; 5404-86-4; 6-hydrazinyl-9H-purine; 6-Hydrazino-1H-purine; 7H-purin-6-ylhydrazine; Purine, 6-hydrazino-; 6-hydrazinyl-7H-purine; 6H-Purin-6-one, 1,7-dihydro-, hydrazone; UNII-4PX9EKA7KY; 4PX9EKA7KY; (9H-Purin-6-yl)hydrazine; 6-HYDRAZINYL-1H-PURINE; GNF-PF-1671; MFCD00703067; N-Aminoadenine; NSC 7354; 9H-Purine,6-hydrazinyl-; 1,7-Dihydro-6H-purin-6-one hydrazone; 6-hydrazino-purine; 6-hydrazino-7H-purine; 9H-Purine, 6-hydrazino-; 6-hydrazino-7(9)H-purine; Oprea1_856967; 6H-Purin-6-one, 1,7-dihydro-, hydrazone (9CI); CHEMBL394752; SCHEMBL1095418; AMY2387; DTXSID90202374; NSC7354; ACT05794; NSC-7354; ZINC2383126; BBL028884; STL290565; 1,7-dihydro-6h-purin-6-onehydrazone; AKOS000192656; AKOS005177414; AKOS025402051; AKOS028109023; AC-3553; MCULE-1941041892; 6H-Purin-6-one,7-dihydro-, hydrazone; (E)-6-hydrazono-6,7-dihydro-1H-purine; DS-12693; U850; DB-052464; CS-0155488; FT-0635674; EN300-51129; 7H-purin-6-ylhydrazine;6-Hydrazinyl-9H-purine; D70741; 404H864; 404P864; A829926; Z2327040064"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7354	.	.	.	.	150.14	C5H6N6	92.5	139	-0.2	11	3	5	1	"InChI=1S/C5H6N6/c6-11-5-3-4(8-1-7-3)9-2-10-5/h1-2H,6H2,(H2,7,8,9,10,11)"	C1=NC2=C(N1)C(=NC=N2)NN	IUEISQYNCXVHTJ-UHFFFAOYSA-N
DG50738	Benzoyl leuco methylene blue	94975	"Benzoyl leuco methylene blue; 1249-97-4; Benzoylleukomethylene blue; Methylene blue leucobenzoyl; N-Benzoylleucomethylene Blue; 10-Benzoyl-3,7-bis(dimethylamino)phenothiazine; NSC 11881; Benzoylleucomethyleneblue; 10H-Phenothiazine-3,7-diamine, 10-benzoyl-N,N,N',N'-tetramethyl-; Methylene blue leucobenzoy; 3,7-Bis(dimethylamino)-10-benzoylphenothiazine; Phenothiazine, 10-benzoyl-3,7-bis(dimethylamino)-; MLS000737962; GNF-PF-4992; NSC11881; [3,7-bis(dimethylamino)phenothiazin-10-yl]-phenylmethanone; Methanone, [3,7-bis(dimethylamino)-10H-phenothiazin-10-yl]phenyl-; EINECS 215-005-5; AI3-17179; Methanone, (3,7-bis(dimethylamino)-10H-phenothiazin-10-yl)phenyl-; benzoyl leucomethylene blue; N-benzoylleuco methylene blue; SCHEMBL388483; CHEMBL275177; DTXSID3061639; ZINC4347718; Phenothiazine,7-bis(dimethylamino)-; CCG-41402; MFCD00059153; NSC-11881; AKOS037647001; MCULE-7540580869; NCGC00246723-01; AS-71895; SMR000528108; B0207; FT-0760404; D88613; SR-01000631485-1; 10-Benzoyl-3,7-bis(dimethylamino)-10H-phenothiazine; 10H-Phenothiazine-3, 10-benzoyl-N,N,N',N'-tetramethyl-; [3,7-bis(dimethylamino)phenothiazin-10-yl]-phenyl-methanone; (3,7-bis(dimethylamino)-10H-phenothiazin-10-yl)(phenyl)methanone; 10-benzoyl-N3,N3,N7,N7-tetramethyl-10H-phenothiazine-3,7-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11881	.	.	.	.	389.5	C23H23N3OS	52.1	516	4.9	28	0	4	3	"InChI=1S/C23H23N3OS/c1-24(2)17-10-12-19-21(14-17)28-22-15-18(25(3)4)11-13-20(22)26(19)23(27)16-8-6-5-7-9-16/h5-15H,1-4H3"	CN(C)C1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)N(C)C)C(=O)C4=CC=CC=C4	ZKURGBYDCVNWKH-UHFFFAOYSA-N
DG50739	"3-Amino-7-chloro-1,2,4-benzotriazine"	95001	"3-Amino-7-chloro-1,2,4-benzotriazine; 5423-53-0; 7-chloro-1,2,4-benzotriazin-3-amine; 1,2,4-Benzotriazine, 3-amino-7-chloro-; MLS002638305; CHEMBL1728139; 7-chlorobenzo[e][1,2,4]triazin-3-amine; NSC13204; LEADIVPROPIONATE; SCHEMBL6366137; DTXSID80202580; TQP0605; HMS3078A05; ZINC1683312; 7798AB; BDBM50356937; MFCD00024044; NSC 13204; NSC-13204; AKOS006271763; MB00343; DS-12941; SMR001547793; DB-071814; FT-0746900; C75546; A870512"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13204	.	.	.	.	180.59	C7H5ClN4	64.7	166	0.9	12	1	4	0	"InChI=1S/C7H5ClN4/c8-4-1-2-5-6(3-4)11-12-7(9)10-5/h1-3H,(H2,9,10,12)"	C1=CC2=C(C=C1Cl)N=NC(=N2)N	KTIMFFFWQOYBMI-UHFFFAOYSA-N
DG50740	"2,4,7-Triamino-6-o-tolylpteridine"	95122	"UNII-U7TEV282FU; 2853-69-2; 2,4,7-Triamino-6-o-tolylpteridine; Pteridine, 6-o-tolyl-2,4,7-triamino-; 2,4,7-Pteridinetriamine, 6-(2-methylphenyl)-; U7TEV282FU; FDA 0283; NSC19441; Wrair-ZB; WR 3090; NSC 19441; BRN 0554022; 5-26-17-00451 (Beilstein Handbook Reference); CHEMBL1992508; SCHEMBL10456495; DTXSID40182753; ZINC1566879; 6-ortho-tolylpteridine 2,7 triamine; NSC-19441; Pteridine-2, 6-(2-methylphenyl)-; 6-(o-tolyl)pteridine-2,4,7-triamine; NCI60_001623; Pteridine-2,4-7-triamine, 6-(2-methylphenyl)-; Q27290809"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19441	.	.	.	.	267.29	C13H13N7	130	339	1.3	20	3	7	1	"InChI=1S/C13H13N7/c1-6-4-2-3-5-7(6)8-10(14)18-12-9(17-8)11(15)19-13(16)20-12/h2-5H,1H3,(H6,14,15,16,18,19,20)"	CC1=CC=CC=C1C2=NC3=C(N=C(N=C3N=C2N)N)N	GXCOXYQKWSWCGG-UHFFFAOYSA-N
DG50741	6-Benzylthioinosine	95263	"6-Benzylthioinosine; NSC26273; 6-Benzylthionebularine; MLS002702829; CHEMBL178704; 6165-03-3; 6-Benzylthiopurine ribonucleoside; NSC-26273; 6-(benzylsulfanyl)-9-pentofuranosyl-9h-purine; cid_95263; ChEMBL_299712; SCHEMBL15427008; DTXSID10977234; BDBM50159129; NSC 26273; NCI60_002098; SMR001566656; AI3-50272; 9H-Purine, 6-(benzylthio)-9-.beta.-D-ribofuranosyl-; 9H-Purine, 6-((phenylmethyl)thio)-9-beta-D-ribofuranosyl-; 9H-Purine, 6-(benzylthio)-9-beta-D-ribofuranosyl- (8CI); 9H-Purine, 6-[(phenylmethyl)thio]-9-.beta.-D-ribofuranosyl-; 2-(hydroxymethyl)-5-[6-(phenylmethylsulfanyl)purin-9-yl]oxolane-3,4-diol; 2-[6-(benzylsulfanyl)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol; 2-Hydroxymethyl-5-[6-(4-nitro-benzylsulfanyl)-purin-9-yl]-tetrahydro-furan-3,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26273	.	.	.	.	374.4	C17H18N4O4S	139	470	1.6	26	3	8	5	"InChI=1S/C17H18N4O4S/c22-6-11-13(23)14(24)17(25-11)21-9-20-12-15(21)18-8-19-16(12)26-7-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,22-24H,6-7H2"	C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O	OMJRXFOHHLLDFR-UHFFFAOYSA-N
DG50742	"Anthranilic acid, N-(alpha-(8-hydroxy-7-quinolyl)benzyl)-"	95307	"NSC1012; 5394-35-4; MLS002701877; CHEMBL1728456; NSC 1012; BRN 0338153; 2-(((8-hydroxy-7-quinolinyl)(phenyl)methyl)amino)benzoic acid; 2-[[(8-Hydroxy-7-quinolinyl)(phenyl)methyl]amino]benzoic acid; NSC-1012; N-(alpha-(8-Hydroxy-7-quinolyl)benzyl)anthranilic acid; Anthranilic acid, N-(alpha-(8-hydroxy-7-quinolyl)benzyl)-; Oprea1_090425; Oprea1_292074; 4-22-00-06022 (Beilstein Handbook Reference); DTXSID40275932; Benzoic acid, 2-[[(8-hydroxy-7-quinolinyl)phenylmethyl]amino]-; BDBM50561143; WLN: T66 BNJ IYR&MR BVQ& JQ; NCI60_000034; SMR001565467; DS-010374; N-[.alpha.-(8-Hydroxy-7-quinolyl)benzyl]anthranilic acid; 2-(((8-Hydroxyquinolin-7-yl)(phenyl)methyl)amino)benzoic acid; 2-[[(8-hydroxyquinolin-7-yl)phenylmethyl]amino]benzoic acid; Anthranilic acid, N-[.alpha.-(8-hydroxy-7-quinolyl)benzyl]-; Benzoic acid, 2-[[ (8-hydroxy-7-quinolinyl)phenylmethyl]amino]-; Benzoic acid, 2-(((8-hydroxy-7-quinolinyl)phenylmethyl)amino)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1012	.	.	.	.	370.4	C23H18N2O3	82.4	522	5.1	28	3	5	5	"InChI=1S/C23H18N2O3/c26-22-18(13-12-16-9-6-14-24-21(16)22)20(15-7-2-1-3-8-15)25-19-11-5-4-10-17(19)23(27)28/h1-14,20,25-26H,(H,27,28)"	C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=C4C(=O)O	NISNWVZYKYOKOX-UHFFFAOYSA-N
DG50743	Tryptazan	95318	"Tryptazan; 526-30-7; 3-Indazolealanine; 2-amino-3-(2H-indazol-3-yl)propanoic acid; NSC1460; 2-Amino-3-(3-indazolyl)propionic acid; 26988-90-9; 2-Amino-3-(1H-indazol-3-yl)propanoic acid; 3-Indazolealanine; DL-Tryptazan; NSC 1460; Tryptazan; NSC-1460; NSC 1460; 1H-Indazole-3-propanoic acid, alpha-amino-; INDAZOLE-3-ALANINE; 3-(1H-indazol-3-yl)alanine; 1H-Indazole-3-propanoic acid, alpha-amino-, (+-)-; SCHEMBL1519993; CHEMBL1988860; NCI60_000990; CS-0020629; 2-Amino-3-(1H-indazol-3-yl)-propionic acid; 1H-Indazole-3-propanoic acid, .alpha.-amino-; 1H-Indazole-3-propionic acid, .alpha.-amino-; 1H-Indazole-3-propanoic acid, alpha-amino- (9CI); 1H-Indazole-3-propionic acid, alpha-amino- (8CI); Q27273684; 2-Amino-3-(1H-indazol-3-yl)-propionic acid (2-Azatryptophans)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1460	.	.	.	.	205.21	C10H11N3O2	92	247	-1.7	15	3	4	3	"InChI=1S/C10H11N3O2/c11-7(10(14)15)5-9-6-3-1-2-4-8(6)12-13-9/h1-4,7H,5,11H2,(H,12,13)(H,14,15)"	C1=CC2=C(NN=C2C=C1)CC(C(=O)O)N	IFEKQNAXDMZERW-UHFFFAOYSA-N
DG50744	Ethylenimine quinone	95715	"Ethylenimine quinone; Quinone I; 2,5-Bisethyleneiminebenzoquinone; 2,5-Diaziridinyl-1,4-benzoquinone; 2,5-Bis(1-aziridinyl)-1,4-benzoquinone; 2,5-Bis(aziridino)benzoquinone; 526-62-5; 2,5-Bis(1-aziridinyl)-p-benzoquinone; 2,5-Bis(aziridino)-1,4-benzoquinone; 2,5-Bis-ethyleniminobenzoquinone; TW 13; 2,5-Bis(1-aziridynyl)benzoquinone; 3,6-diaziridinyl-1,4-benzoquinone; ENT 50702; MC 688; 2,5-Di(ethyleneimino)-1,4-benzoquinone; 2,5-Bis(ethyleneimino)-1,4-benzoquinone; 2,5-Bis(1-aziridinyl)-2,5-cyclohexadiene-1,4-dione; 2,5-bis(aziridin-1-yl)-1,4-benzoquinone; Bayer G 4073; PBE; CHEBI:19363; NSC30706; 2,5-Bisaethyleniminobenzochinon-1,4; 2,5-bis(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione; 2,5,-bisethylene-imine-1,4-benzoquinone; 2,5,-bis(ethyleneimine)-1,4-benzoquinone; DZQ; Chinon I [German]; Bayer G4073; diethyleneiminebenzoquinone; Chinon I; PBE (VAN); 2,5-diaziridinylbenzoquinone; MC-688; NSC 30706; BRN 0169182; AI3-50702; 2,5-Bis-aethyleniminobenzochinon-1,4 [German]; 2,5-Bis-aethyleniminobenzochinon-1,4; Benzoquinone, 2,5-bis(1-aziridino)-; p-Benzoquinone, 2,5-bis(1-aziridinyl)-; Neuro_000016; 5-20-01-00070 (Beilstein Handbook Reference); CHEMBL72536; SCHEMBL1676679; DTXSID90200577; ZINC1661246; NSC-30706; p-Benzoquinone,5-bis(1-aziridinyl)-; AKOS006277036; 2,4-dione, 2,5-bis(1-aziridinyl)-; 2, 5-Bis(1-aziridinyl)-p-benzoquinone; 2,5-Di(1-aziridinyl)benzo-1,4-quinone; NCI60_002624; 2, 5-Di(ethyleneimino)-1,4-benzoquinone; 2, 5-Bis(ethyleneimino)-1,4-benzoquinone; 2,5-Bis(1-aziridinyl)-1, 4-benzoquinone; p-Benzoquinone, 2,5-bis(1-aziridinyl)- (8CI); Q27109175; 2, 5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)-; 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30706	.	.	.	.	190.2	C10H10N2O2	40.2	349	0.2	14	0	4	2	"InChI=1S/C10H10N2O2/c13-9-6-8(12-3-4-12)10(14)5-7(9)11-1-2-11/h5-6H,1-4H2"	C1CN1C2=CC(=O)C(=CC2=O)N3CC3	RCWJMKCTHJPXJV-UHFFFAOYSA-N
DG50745	3-Ethylcholanthrene	95723	"3-Ethylcholanthrene; Cholanthrene, 3-ethyl-; 20-Ethylcholanthrene; UNII-P7C4QWA29J; P7C4QWA29J; 7511-54-8; NSC 30979; BRN 3342977; NSC30979; 3-Ethyl-cholanthrene; DTXSID40226080; ZINC1661477; NSC-30979; WLN: L E6 D6656 1A T&&&T&J R2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30979	.	.	.	.	282.4	C22H18	0	412	6.9	22	0	0	1	"InChI=1S/C22H18/c1-2-14-7-8-16-13-21-17-6-4-3-5-15(17)9-10-19(21)20-12-11-18(14)22(16)20/h3-10,13H,2,11-12H2,1H3"	CCC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1	NZZUNDKOLHKMCK-UHFFFAOYSA-N
DG50746	Tetraethyleniminobenzo-quinone	95735	"Tetraethyleniminobenzo-quinone; 4239-06-9; 2,3,5,6-tetrakis(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione; TEB; Tetraethylenimino-1,4-benzoquinone; 2,3,5,6-Tetraethyleneimino-1,4-benzoquinone; p-Benzoquinone, tetrakis(1-aziridinyl)-; 2,3,5,6-Tetraethylenimino-1,4-benzoquinone; 2,3,5,6-Tetrakis(1-aziridinyl)-p-benzoquinone; NSC 31717; Tetraethyleniminobenzoquinone; 2,3,5,6-Tetra-ethyleneimino-1,4-benzoquinone; 2,3,5,6-Tetrakis(1-aziridinyl)-1,4-benzoquinone; 1,4-Benzoquinone, 2,3,5,6-tetrakis(1-aziridinyl)-; CHEMBL121205; DTXSID30195195; 2,3,5,6-Tetrakis(1-aziridinyl)-2,5-cyclohexadiene-1,4-dione; NSC31717; Tetraethyleneimino-1,4-benzoquinone; NSC-31717; ZINC49877717; 2,4-dione, 2,3,5,6-tetrakis(1-aziridinyl)-; 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrakis(1-aziridinyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	31717	.	.	.	.	272.3	C14H16N4O2	46.2	503	0.8	20	0	6	4	InChI=1S/C14H16N4O2/c19-13-9(15-1-2-15)10(16-3-4-16)14(20)12(18-7-8-18)11(13)17-5-6-17/h1-8H2	C1CN1C2=C(C(=O)C(=C(C2=O)N3CC3)N4CC4)N5CC5	GNSPPAGSLFPHSZ-UHFFFAOYSA-N
DG50747	"2,7-Dinitro-9,10-phenanthrenedione"	95759	"2,7-Dinitro-9,10-phenanthrenedione; 604-94-4; 2,7-dinitrophenanthrene-9,10-dione; 2,7-Dinitrophenanthraquinone; CHEMBL300680; 9,10-Phenanthrenedione, 2,7-dinitro- (9CI); 2,7-Dinitro-phenanthrene-9,10-dione; 2,7-Dinitrophenanthrenequinone; BRN 2005178; Phenanthrenequinone, 2,7-dinitro-; NSC33530; Neuro_000017; 4-07-00-02569 (Beilstein Handbook Reference); SCHEMBL2599382; DTXSID30209160; ZINC1665750; BDBM50099776; NSC 33530; NSC-33530; 2,7-dinitro-9,10-phenanthrenequinone; AS-76902; NCI60_002935; D93539; AB00086616-01; SR-01000210537; SR-01000210537-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33530	.	.	.	.	298.21	C14H6N2O6	126	488	2.2	22	0	6	0	InChI=1S/C14H6N2O6/c17-13-11-5-7(15(19)20)1-3-9(11)10-4-2-8(16(21)22)6-12(10)14(13)18/h1-6H	C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)C3=C2C=CC(=C3)[N+](=O)[O-]	NLYJKDKBQGPHLE-UHFFFAOYSA-N
DG50748	"1,3-Bis(3,4-dichlorophenyl)urea"	95783	"1,3-bis(3,4-dichlorophenyl)urea; 4300-43-0; 3,3',4,4'-Tetrachlorocarbanilide; MMV665852; 1,3-Bis-(3,4-dichlorophenyl)urea; UNII-W5A83C0L6P; n,n'-bis(3,4-dichlorophenyl)urea; CHEMBL10835; W5A83C0L6P; GNF-PF-2903; N,N'-Bis-(3,4-dichlorophenyl)urea; NSC 70259; NSC 35217; Urea, N,N'-bis(3,4-dichlorophenyl)-; Urea-based compound, 10; SCHEMBL2683478; Triclocarban Related Compound C; BDBM25729; DTXSID20195624; ZINC582127; NSC35217; NSC70259; N,N'-(Di-3,4-dichlorophenyl)urea; MFCD00171464; NSC-35217; NSC-70259; NSC766782; AKOS001041856; N,N'-bis-(3,4-dichlorophenyl)-urea; CCG-274085; MCULE-1409265751; MMV 665852; MMV-665852; MS-8792; NSC-766782; 1,3-Bis-(3,4-dichloro-phenyl)-urea; UPCMLD0ENAT5267060:001; CS-0083888; D83131; US8815951, 299; Q27292329"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766782	.	.	.	.	350	C13H8Cl4N2O	41.1	314	6	20	2	1	2	"InChI=1S/C13H8Cl4N2O/c14-9-3-1-7(5-11(9)16)18-13(20)19-8-2-4-10(15)12(17)6-8/h1-6H,(H2,18,19,20)"	C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl)Cl	ZDPIZPXVHVYTOK-UHFFFAOYSA-N
DG50749	N(6)-(2-Carboxyethyl)adenine	95806	"73094-99-2; N(6)-(2-Carboxyethyl)adenine; 3-(7H-purin-6-ylamino)propanoic acid; 3-(9H-Purin-6-ylamino)-propionic acid; 3-((9H-Purin-6-yl)amino)propanoic acid; UNII-PG9A8I4S8I; PG9A8I4S8I; NSC37388; NSC-37388; 3-(9H-Purin-6-ylamino)propionic acid; N-9H-purin-6-yl-beta-alanine; 3-[(9H-purin-6-yl)amino]propanoic acid; NCIStruc1_000604; N-1H-Purin-6-yl-beta-alanine; b-Alanine, N-9H-purin-6-yl-; NSC 37388; 3-(9H-purin-6-ylamino)propanoic acid; NCIStruc2_000498; Oprea1_424917; CBDivE_014975; n6-(2-carboxyethyl) adenine; CHEMBL278374; N-(9H-purin-6-yl)--alanine; SCHEMBL17234487; DTXSID30223361; beta-Alanine, N-1H-purin-6-yl-; beta-Alanine, N-9H-purin-6-yl-; NCI37388; ZINC1297827; BBL028876; CCG-37928; NCGC00013437; STL373148; AKOS000194330; AKOS000301779; MCULE-7324703760; NCGC00013437-02; NCGC00096552-01; 3-((3H-purin-6-yl)amino)propanoic acid; NCI60_003501; VS-09007; CS-0319483"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37388	.	.	.	.	207.19	C8H9N5O2	104	237	0.6	15	3	6	4	"InChI=1S/C8H9N5O2/c14-5(15)1-2-9-7-6-8(11-3-10-6)13-4-12-7/h3-4H,1-2H2,(H,14,15)(H2,9,10,11,12,13)"	C1=NC2=C(N1)C(=NC=N2)NCCC(=O)O	ALBHTZMRHDQGAA-UHFFFAOYSA-N
DG50750	"9(2H)-Acridinone, 1,3,4,10-tetrahydro-"	95996	"13161-85-8; 9(2H)-Acridinone, 1,3,4,10-tetrahydro-; 1,2,3,4-Tetrahydro-9-acridanone; 1,3,4,10-tetrahydroacridin-9(2H)-one; 1,3,4,10-Tetrahydro-9(2H)-acridinone; 2,3,4,10-tetrahydro-1H-acridin-9-one; 1,2,3,4-Tetrahydro-9(10H)-acridone; UNII-AFR4CG6V1E; AFR4CG6V1E; 1,2,3,4,9,10-Hexahydroacridin-9-one; 1,2,3,4-Tetrahydroacridin-9(10H)-one; GNF-Pf-3796; 1,2,3,4-tetrahydroacridin-9-ol; 56717-04-5; Tetrahydroacridon; NSC46875; NSC 46875; 5,6,7,8,10-pentahydroacridin-9-one; Oprea1_374298; Oprea1_558258; MLS000551004; 1,2,3,4-Tetrahydroacridone; CHEMBL602366; SCHEMBL1383033; DTXSID80157142; CHEBI:170033; HMS1611L01; HMS1662F16; HMS2153K08; HMS3325P06; 1,2,3,4-tetrahydro-9-acridinol; ZINC8579105; 1,2,3,4-Tetrahydro-acridin-9-ol; BBL018863; MFCD00010589; MMV665843; NSC-46875; NSC766649; STK329363; STL195396; AKOS000277417; AKOS003237417; MCULE-6355371150; NSC-766649; NCGC00246265-01; SMR000145132; VS-06805; 1,2,3,4-Tetrahydro-9-acridanone, 97%; 1,2,3,4-tetrahydroacridin-9-(10H)-one; DB-042046; CS-0329037; FT-0636820; 1,3,4,10-Tetrahydro-9(2H)-acridinone #; AB00461440-08; AG-205/04782053; SR-01000466281; J-006029; SR-01000466281-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766649	.	.	.	.	199.25	C13H13NO	29.1	319	2.8	15	1	2	0	"InChI=1S/C13H13NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H,14,15)"	C1CCC2=C(C1)C(=O)C3=CC=CC=C3N2	CVEXTAUZJWYDJX-UHFFFAOYSA-N
DG50751	"1,2-Benzothiazolin-3-one, 6-methyl-"	96023	"1,2-Benzothiazolin-3-one, 6-methyl-; 4337-47-7; 6-Methyl-1,2-benzisothiazolone; NSC 48653; 6-Methyl-1,2-benzisothiazolin-3-one; BRN 0637993; 6-methyl-1,2-benzothiazol-3-one; NSC48653; 1,2-Benzisothiazol-3(2H)-one, 6-methyl-; CHEMBL2004221; SCHEMBL11737600; DTXSID50195834; ZINC1680931; NSC-48653; NCI60_004158"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48653	.	.	.	.	165.21	C8H7NOS	54.4	183	1.6	11	1	2	0	"InChI=1S/C8H7NOS/c1-5-2-3-6-7(4-5)11-9-8(6)10/h2-4H,1H3,(H,9,10)"	CC1=CC2=C(C=C1)C(=O)NS2	MKOBQYYGSDGUMU-UHFFFAOYSA-N
DG50752	5-Iodo-8-quinolinol	96111	"5-iodoquinolin-8-ol; 5-Iodo-8-quinolinol; 13207-63-1; 8-Quinolinol, 5-iodo-; 8-Hydroxy-5-iodoquinoline; NSC53183; NSC-53183; NSC 53183; 5-iodo-8-hydroxyquinoline; NCIOpen2_009024; SCHEMBL113423; CHEMBL1973599; DTXSID80157344; TQR0346; ZINC1684366; 5927AA; AKOS016010704; SB68985; DA-12328; NCI60_004307; FT-0705548"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	53183	.	.	.	.	271.05	C9H6INO	33.1	165	2.7	12	1	2	0	"InChI=1S/C9H6INO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H"	C1=CC2=C(C=CC(=C2N=C1)O)I	SUQZNPQQZDQDPJ-UHFFFAOYSA-N
DG50753	"Thiocyanic acid, 1H-purin-6-yl ester"	96185	"19447-73-5; UNII-KXA182VHR5; KXA182VHR5; Thiocyanic acid, 1H-purin-6-yl ester (9CI); Thiocyanic acid, 1H-purin-6-yl ester; NSC 58385; 6-Thiocyanatopurine; Thiocyanic acid, 9H-purin-6-yl ester; 6-Thiocyanato-9H-purine; SCHEMBL2888365; DTXSID70173078; NSC58385; NSC-58385"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58385	.	.	.	.	177.19	C6H3N5S	104	211	1.2	12	1	5	1	"InChI=1S/C6H3N5S/c7-1-12-6-4-5(9-2-8-4)10-3-11-6/h2-3H,(H,8,9,10,11)"	C1=NC2=C(N1)C(=NC=N2)SC#N	GBTKKUANKIRQOM-UHFFFAOYSA-N
DG50754	"2-Methylthio-1,4-naphthoquinone"	96324	"2-Methylthio-1,4-naphthoquinone; 26037-60-5; 2-methylsulfanylnaphthalene-1,4-dione; 1,4-Naphthalenedione, 2-(methylthio)-; CHEMBL2335531; 1,4-Naphthoquinone, 2-(methylthio)-; NSC67209; NSC 67209; 1, 2-(methylthio)-; NCIOpen2_003036; SCHEMBL357220; DTXSID60876662; 2-(Methylsulfanyl)naphthoquinone #; ZINC1694282; 2-(Methylthio)-1,4-naphthoquinone; BDBM50430489; 1,4-Naphthalenedione,2-(methylthio)-; DS-008446; 1,4-Naphthoquinone, 2-(methylthio)- (8CI); 1,4-Naphthalenedione, 2-(methylthio)- (9CI); 2-(methylsulfanyl)-1,4-dihydronaphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67209	.	.	.	.	204.25	C11H8O2S	59.4	306	2	14	0	3	1	"InChI=1S/C11H8O2S/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H3"	CSC1=CC(=O)C2=CC=CC=C2C1=O	GGFFBRRZAKLGFX-UHFFFAOYSA-N
DG50755	"Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-, compd. with cyclohexanamine (1:1)"	96355	"1566-15-0; OMF 59; Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-, compd. with cyclohexanamine (1:1); NSC-69945; Phosphoramide mustard cyclohexylamine salt; NSC69945; UNII-6ZG9FPH7YK; 6ZG9FPH7YK; amino-[bis(2-chloroethyl)amino]phosphinic acid;cyclohexanamine; Phosphoramide mustard (cyclohexanamine); N,N-bis(2-chloroethyl)phosphorodiamidic acid compound with cyclohexanamine (1:1); 5776-49-8; NSC 69945; Phosphoramide mustard cyclohexamine salt; AI3-51834; AI 3-51834; SCHEMBL9452793; CHEMBL1159898; DTXSID20935481; Phosphoramide mustard cyclohexamine; NCI69945; CCG-36813; N,N-Bis(2-chloroethyl)phosphorodiamidic acid, cyclohexylammonium salt; NCGC00013782; Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-, cyclohexylamine salt; AKOS030241909; HY-137316A; Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-, compd. with cyclohexanamine(1:1) (9CI); Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-, compd. with cyclohexylamine (1:1); NCGC00013782-02; NCGC00096892-01; NCI60_035620; CS-0137705; PHOSPHORAMIDE MUSTARD CYCLOHEXYLAMMONIUM; PHOSPHORAMIDE MUSTARD CYCLOHEXYL-AMINE SALT; Cyclohexanamine N,N-bis(2-chloroethyl)phosphorodiamidate; N,N-Bis(2-chloroethyl)phosphorodiamidic acid--cyclohexanamine (1/1); Phosphorodiamidic acid,N-bis(2-chloroethyl)-, cyclohexylamine salt; Phosphorodiamidic acid,N-bis(2-chloroethyl)-, compd. with cyclohexylamine; Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-, compound with cyclohexanamine (1:1); Phosphorodiamidic acid,N-bis(2-chloroethyl)-, compd. with cyclohexanamine (1:1); Phosphorodiamidic acid,N-bis(2-chloroethyl)-, compd. with cyclohexanamine(1:1); Phosphorodiamidic acid,N-bis(2-chloroethyl)-, compd. with cyclohexylamine(1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69945	.	.	.	.	320.19	C10H24Cl2N3O2P	92.6	197	.	18	3	5	5	"InChI=1S/C6H13N.C4H11Cl2N2O2P/c7-6-4-2-1-3-5-6;5-1-3-8(4-2-6)11(7,9)10/h6H,1-5,7H2;1-4H2,(H3,7,9,10)"	C1CCC(CC1)N.C(CCl)N(CCCl)P(=O)(N)O	BGTIPRUDEMNRIP-UHFFFAOYSA-N
DG50756	"Acetic acid, (1,3,2-dithiarsolan-2-ylthio)-"	96378	"NSC71381; Acetic acid, (1,3,2-dithiarsolan-2-ylthio)-; 7749-05-5; Acetic acid, (dihydro-1,3,2-dithiarsenol-2-ylmercapto)-; (1,3,2-Dithiarsolan-2-ylthio)acetic acid; NSC 71381; BRN 1708636; NCIOpen2_004602; 2-(1,3,2-dithiarsolan-2-ylsulfanyl)acetic acid; CHEMBL2003504; DTXSID30228194; 2-(Carboxymethylmercapto)-4,5-dihydro-1,3,2-dithiarsenole; NSC-71381; NCI60_039587; Acetic acid,3,2-dithiarsolan-2-ylthio)-; Acetic acid,3,2-dithiarsenol-2-ylmercapto)-; (1,2-DITHIARSOLAN-2-YLTHIO)ACETIC ACID; 3-03-00-00425 (Beilstein Handbook Reference)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71381	.	.	.	.	258.2	C4H7AsO2S3	113	126	.	10	1	5	3	"InChI=1S/C4H7AsO2S3/c6-4(7)3-10-5-8-1-2-9-5/h1-3H2,(H,6,7)"	C1CS[As](S1)SCC(=O)O	STKFUOAEOBBGGH-UHFFFAOYSA-N
DG50757	"2,4-Dichloro-3,5-dinitrobenzamide"	96425	"2,4-DICHLORO-3,5-DINITROBENZAMIDE; 13550-88-4; Benzamide, 2,4-dichloro-3,5-dinitro-; NSC73705; NSC 73705; SCHEMBL8066780; DTXSID90159430; ZINC1699266; NSC-73705; 2,-4-dichloro-3,5-dinitrobenzamide; AKOS022180882; DB-042293; FT-0636917; A806944"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73705	.	.	.	.	280.02	C7H3Cl2N3O5	135	354	1.7	17	1	5	1	"InChI=1S/C7H3Cl2N3O5/c8-4-2(7(10)13)1-3(11(14)15)5(9)6(4)12(16)17/h1H,(H2,10,13)"	C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)C(=O)N	UBMOQSTZFCSCEV-UHFFFAOYSA-N
DG50758	"9H-Purine, 9-butyl-6-(methylthio)-"	96530	"9H-Purine, 9-butyl-6-(methylthio)-; 9-Butyl-6-(methylthio)-9H-purine; 15923-48-5; NSC78508; 9-butyl-6-methylsulfanylpurine; UNII-NJ6Q5DH6KR; NJ6Q5DH6KR; 9-butyl-6-methylsulfanyl-9H-purine; NSC-78508; NSC 78508; BRN 2978802; 5-26-12-00411 (Beilstein Handbook Reference); CHEMBL1364705; DTXSID20166617; NCI78508; ZINC1718869; 9-(n-butyl)-6-methylmercaptopurine; CCG-38303; NCGC00013843; 9-butyl-9H-purin-6-yl methyl sulfide; NCGC00013843-02; NCGC00096953-01; NCI60_041732; WLN: T56 BN DN FN HNJ D4 IS1; DS-009449; 9H-PURINE,9-BUTYL-6-(METHYLTHIO)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	78508	.	.	.	.	222.31	C10H14N4S	68.9	202	2.4	15	0	4	4	"InChI=1S/C10H14N4S/c1-3-4-5-14-7-13-8-9(14)11-6-12-10(8)15-2/h6-7H,3-5H2,1-2H3"	CCCCN1C=NC2=C1N=CN=C2SC	OHHJPJULCIJFST-UHFFFAOYSA-N
DG50759	Gardenin B	96539	"Gardenin B; 2798-20-1; Demethyltangeretin; 5-hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one; UNII-313E89KN5E; 5-Hydroxy-4',6,7,8-tetramethoxyflavone; CHEBI:79628; MLS002701917; 313E89KN5E; NSC79093; 5-Hydroxy-2-(4-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one; 5-Hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one; 5-demethyltangeretin; NSC 79093; 5-Desmethyltangeretin; 5-O-Demethyltangeretin; Demethyltangeretin/Gardenin B; SPECTRUM1505031; Flavone,6,7,8-tetramethoxy-; CHEMBL226512; SCHEMBL1764516; DTXSID10182260; HMS1923M21; BCP33595; HY-N6037; ZINC1723552; 8133AH; BDBM50060925; LMPK12111451; NSC618926; AKOS032962784; 5-Hydroxy-4',7,8-tetramethoxyflavone; 5-Hydroxy-6,8,4'-tetramethoxyflavone; CCG-214611; NSC-618926; 5-Hydroxy-4'6,7,8-tetramethoxyflavone; NCGC00095006-01; 5-Hydroxy-6,7,8,4'-tetramethoxyflavone; NCI60_041745; SMR001565501; XG161759; DS-015067; CS-0032215; Q-100922; Q27148750; 4H-1-Benzopyran-4-one,7,8-trimethoxy-2-(4-methoxyphenyl)-; 5-Hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one; 4H-1-Benzopyran-4-one, 5-hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-; 4H-1-benzopyran-4-one,5-hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79093	.	.	.	.	358.3	C19H18O7	83.4	526	3.3	26	1	7	5	"InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)13-9-12(20)14-15(21)17(23-2)19(25-4)18(24-3)16(14)26-13/h5-9,21H,1-4H3"	COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O	LXEVSYZNYDZSOB-UHFFFAOYSA-N
DG50760	3-Thianaphthenoyltrifluoroacetone	96570	"392-29-0; 3-Thianaphthenoyltrifluoroacetone; NSC80396; NSC-80396; 1-(1-benzothiophen-3-yl)-4,4,4-trifluorobutane-1,3-dione; 1-(Benzothiophen-3-yl)-4,4,4-trifluoro-butane-1,3-dione; 4,4,4-TRIFLUORO-1-(BENZO-[B]-THIOPHEN-3-YL)BUTANE-1,3-DIONE; 1-(3-benzo{b}thienyl)-4,4,4-trifluoro-1,3-butanedione; 1-Benzo(b)thien-3-yl-4,4,4-trifluoro-1,3-butanedione; NSC 80396; NCIMech_000363; NCIOpen2_004410; CHEMBL2005054; DTXSID30192442; CCG-35529; AKOS017344656; ZINC100473617; NCI60_041766; 1, 1-benzo[b]thien-3-yl-4,4,4-trifluoro-; 3-(4,4,4-trifluoro-1,3-dioxobutyl)benzothiophene; 1,3-Butanedione, 1-benzo(b)thien-3-yl-4,4,4-trifluoro-; 1-(1-benzothien-3-yl)-4,4,4-trifluoro-1,3-butanedione; 1-(Benzo[b]thiophen-3-yl)-4,4,4-trifluorobutane-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80396	.	.	.	.	272.24	C12H7F3O2S	62.4	354	3.7	18	0	6	3	"InChI=1S/C12H7F3O2S/c13-12(14,15)11(17)5-9(16)8-6-18-10-4-2-1-3-7(8)10/h1-4,6H,5H2"	C1=CC=C2C(=C1)C(=CS2)C(=O)CC(=O)C(F)(F)F	NFWFGKBSGANQQK-UHFFFAOYSA-N
DG50761	"1,5-Diazabicyclo(3.2.1)octane, 8-(4-pyridyl)-"	96625	"13022-80-5; NSC82339; 8-pyridin-4-yl-1,5-diazabicyclo[3.2.1]octane; 1,5-Diazabicyclo(3.2.1)octane, 8-(4-pyridyl)-; 8-(4-pyridyl)-1,5-diazabicyclo[3.2.1]octane; MLS000737101; 4-(1,5-Diazabicyclo(3.2.1)oct-8-yl)pyridine; 8-(4-Pyridinyl)-1,5-diazabicyclo[3.2.1]octane; NSC-82339; 4-(1,5-Diazabicyclo[3.2.1]oct-8-yl)pyridine; NSC 82339; BRN 0611005; NCIStruc1_000059; NCIStruc2_000047; 1, 8-(4-pyridyl)-; 5-26-02-00076 (Beilstein Handbook Reference); CHEMBL1528915; SCHEMBL11294576; 4-(1,5-DIAZABICYCLO(3.2.1)OCT-8-YL)-PYRIDINE; DTXSID20156417; HMS2884A22; NCI82339; CCG-36323; NCGC00013864; ZINC19322683; AKOS024332369; MCULE-9868015410; NCGC00013864-02; NCGC00096974-01; WLN: T56 A BN ENTJ A- DT6NJ; NCI60_041811; SMR000528372; {4-(1,5-Diazabicyclo[3.2.1]oct-8-yl)pyridine}; {1,5-Diazabicyclo[3.2.1]octane,} 8-(4-pyridyl)-; (1beta,5beta,8-anti)-8-(4-Pyridyl)-1,5-diazabicyclo[3.2.1]octane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82339	.	.	.	.	189.26	C11H15N3	19.4	189	0.8	14	0	3	1	"InChI=1S/C11H15N3/c1-6-13-8-9-14(7-1)11(13)10-2-4-12-5-3-10/h2-5,11H,1,6-9H2"	C1CN2CCN(C1)C2C3=CC=NC=C3	JIKHJTHQLORZIX-UHFFFAOYSA-N
DG50762	"3,6-Bis(morpholinomethyl)pyrocatechol"	96672	"25163-62-6; 3,6-Bis(morpholinomethyl)pyrocatechol; NSC85459; Pyrocatechol, 3,6-bis(morpholinomethyl)-; 3,6-bis(morpholin-4-ylmethyl)benzene-1,2-diol; 1,2-Benzenediol, 3,6-bis(4-morpholinylmethyl)-; 3,6-bis(morpholinomethyl)benzene-1,2-diol; MLS002694633; NSC-85459; NSC 85459; BRN 0284535; ChemDiv3_014416; NCIStruc1_001538; NCIStruc2_001370; 4-27-00-00473 (Beilstein Handbook Reference); CHEMBL1449373; SCHEMBL10005451; DTXSID90179835; 3,6-Bis(morpholinomethyl)catechol; HMS1513P06; HMS3080L14; NCI85459; 1, 3,6-bis(4-morpholinylmethyl)-; BBL036078; CCG-36529; NCGC00013896; STK224837; ZINC19914059; Pyrocatechol,6-bis(morpholinomethyl)-; AKOS001718685; MCULE-4171413401; IDI1_030214; NCGC00013896-02; NCGC00097005-01; NCI60_041886; SMR001560558; CS-0359694; 3,6-bis(4-morpholinylmethyl)-1,2-benzenediol; SR-01000148119; WLN: T6N DOTJ A1R BQ CQ D1- AT6N DOTJ; SR-01000148119-1; 1,2-Benzenediol, 3,6-bis(4-morpholinylmethyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85459	.	.	.	.	308.37	C16H24N2O4	65.4	300	0.1	22	2	6	4	"InChI=1S/C16H24N2O4/c19-15-13(11-17-3-7-21-8-4-17)1-2-14(16(15)20)12-18-5-9-22-10-6-18/h1-2,19-20H,3-12H2"	C1COCCN1CC2=C(C(=C(C=C2)CN3CCOCC3)O)O	GXFKEXJQUZXFOS-UHFFFAOYSA-N
DG50763	Aristololactam	96710	"Aristololactam; Aristolactam I; 13395-02-3; Aristololactam I; Aristolactam; Aristololactum; Aristololactam; Aristolactam; CHEMBL479127; 14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one; Benzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)-one, 8-methoxy-; Benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one, 8-methoxy-; NSC 87406; CCRIS 1545; BRN 0307971; Aristolactam-I; 4-27-00-06628 (Beilstein Handbook Reference); DTXSID60158430; HY-N2013; NSC87406; ZINC1562070; BDBM50306869; MFCD00797313; NSC-87406; AKOS028111118; AC-34507; CS-0018333; FT-0697578; X1088; Q-100130; 8-methoxy-[1,3]dioxolo[4',5':4,5]benzo[1,2,3-cd]benzo[f]indol-5(6H)-one; 8-Methoxy-6H-benzo[f][1,3]dioxolo[4'',5'':4,5]benzo[1,2,3-cd]indol-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87406	.	.	.	.	293.27	C17H11NO4	56.8	483	3.1	22	1	4	1	"InChI=1S/C17H11NO4/c1-20-12-4-2-3-8-9(12)5-11-14-10(17(19)18-11)6-13-16(15(8)14)22-7-21-13/h2-6H,7H2,1H3,(H,18,19)"	COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC5=C3OCO5	MXOKGWUJNGEKBH-UHFFFAOYSA-N
DG50764	N-(4-Iodophenyl)maleimide	96758	"1-(4-iodophenyl)-1H-pyrrole-2,5-dione; 65833-01-4; N-(4-Iodophenyl)maleimide; 1-(4-iodophenyl)pyrrole-2,5-dione; 1-(4-iodophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione; 1-(4-Iodophenyl)maleimide; CHEMBL579183; NSC-88871; NSC88871; p-iodo-N-phenylmaleimide; 1H-Pyrrole-2,5-dione,1-(4-iodophenyl)-; Maleimide, N-p-iodophenyl-; SCHEMBL9132838; ZINC14362; DTXSID80216021; JS-053C; 7545AE; BDBM50300338; MFCD00022575; NSC 88871; STK247059; AKOS000116713; MCULE-7661020690; NCI60_041969; DB-054846; CS-0219400; FT-0641035; 1H-Pyrrole-2,5-dione, 1-(4-iodophenyl)-; SR-01000324022; J-503327; SR-01000324022-1; Z56755403"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88871	.	.	.	.	299.06	C10H6INO2	37.4	275	1.7	14	0	2	1	InChI=1S/C10H6INO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H	C1=CC(=CC=C1N2C(=O)C=CC2=O)I	GIXQASIEVHMYQH-UHFFFAOYSA-N
DG50765	"Ethanethiol, 2-(5-cyclohexylpentyl)amino-, hydrogen sulfate (ester)"	96765	"21209-03-0; Ethanethiol, 2-(5-cyclohexylpentyl)amino-, hydrogen sulfate (ester); NSC89074; NSC 89074; S-2-((5-Cyclohexylpentyl)amino)ethyl thiosulfate; CHEMBL2006037; DTXSID70175436; 2-((5-Cyclohexylpentyl)amino)ethanethiol hydrogen sulfate (ester); NSC-89074; ZINC31342852; NCI60_041978; 2-(5-Cyclohexylpentyl)aminoethanethiol sulfate; Thiosulfuric acid (H2S2O3), -[2-[(5-cyclohexylpentyl)amino]ethyl] ester; Thiosulfuric acid (H2S2O3), -(2-((5-cyclohexylpentyl)amino)ethyl) ester (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89074	.	.	.	.	309.5	C13H27NO3S2	100	308	1.4	19	2	5	10	"InChI=1S/C13H27NO3S2/c15-19(16,17)18-12-11-14-10-6-2-5-9-13-7-3-1-4-8-13/h13-14H,1-12H2,(H,15,16,17)"	C1CCC(CC1)CCCCCNCCSS(=O)(=O)O	DKHIPBODAIIIGZ-UHFFFAOYSA-N
DG50766	3(2H)-Isothiazolone	96917	"1003-07-2; Isothiazol-3(2H)-one; 3(2H)-Isothiazolone; 3-Isothiazolone; Isothiazol-3-one; isothiazol-3-ol; 1,2-thiazol-3-one; 3-Hydroxyisothiazole; THIAZOL-3-ONE; 1,2-thiazol-3-ol; UNII-E57JT172V7; E57JT172V7; 2,3-dihydro-1,2-thiazol-3-one; NSC93489; MFCD09834764; 3-Oxo-2,3-dihydroisothiazole; 1,2-Thiazol-3(2H)-one; NSC 93489; Isothiazol-3(2H);-one; NCIOpen2_001597; SCHEMBL19431; isothiazol-3-ol, AldrichCPR; CHEMBL1974422; DTXSID9074935; ZINC1604240; NSC-93489; AKOS006345440; AKOS024046921; AT11769; PS-9316; AC-25099; BL007960; NCI60_042085; SY045488; DB-014833; 3(2H)-Isothiazolone;Isothiazol-3(2H)-one; CS-0005502; FT-0742113; Z3786; 003I072; 858I671; A850091; Q409007; F2167-8909; Z1741980421; 3-(2-chlorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93489	.	.	.	.	101.13	C3H3NOS	54.4	99	-0.1	6	1	2	0	"InChI=1S/C3H3NOS/c5-3-1-2-6-4-3/h1-2H,(H,4,5)"	C1=CSNC1=O	MGIYRDNGCNKGJU-UHFFFAOYSA-N
DG50767	"3-Hydroxy-3',4',5,7-tetramethoxyflavone"	97142	"1244-78-6; 3-Hydroxy-3',4',5,7-tetramethoxyflavone; Quercetin 5,7,3',4'-tetramethyl ether; 5-hydroxy-7,3',4',5'-tetramethoxyflavone; UNII-UUX3TU2JXT; UUX3TU2JXT; NSC102049; 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxychromen-4-one; CHEBI:85124; 3',4',5,7-Tetramethylquercetin; QUERCETIN TETRAMETHYL (5,7,3',4') ETHER; NSC-102049; 2-(3,4-Dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-4H-chromen-4-one; Averionol; NSC 102049; Spectrum_000784; 3-Hydroxy-3,4, 5,7-tetramethoxyflavone; SpecPlus_000312; Spectrum2_000711; Spectrum3_001253; Spectrum4_001473; Spectrum5_000145; BSPBio_002786; KBioGR_002045; KBioSS_001264; SPECTRUM300538; CHEMBL74675; DivK1c_006408; SPBio_000921; SCHEMBL3135319; Flavone,4',5,7-tetramethoxy-; KBio1_001352; KBio2_001264; KBio2_003832; KBio2_006400; KBio3_002286; DTXSID40154319; ZINC1674568; CCG-38364; LMPK12112771; AKOS005145745; 3-Hydroxy-3',5,7-tetramethoxyflavone; SDCCGMLS-0066515.P001; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy- (9CI); NCGC00095598-01; NCGC00095598-02; NCGC00178472-01; NCI60_000056; 3-hydroxy-5,7,3',4'-tetramethoxyflavone; Quercetin tetramethyl(3',4',5,7) ether; DS-015043; 3-Hydroxy-3',4', 5,7-tetramethoxyflavone; A805642; SR-05000002615; SR-05000002615-1; BRD-K08825053-001-02-9; Flavone, 3-hydroxy-3',4',5,7-tetramethoxy- (8CI); Q27158341; 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-chromen-4-one; 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-oxidanyl-chromen-4-one; 4H-1-Benzopyran-4-one,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-; 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-1-benzopyran-4-one; 4H-1-benzopyran-4-one,2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-; 4H-1-Benzopyran-4-one, 2-(3, 4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102049	.	.	.	.	358.3	C19H18O7	83.4	546	2.9	26	1	7	5	"InChI=1S/C19H18O7/c1-22-11-8-14(25-4)16-15(9-11)26-19(18(21)17(16)20)10-5-6-12(23-2)13(7-10)24-3/h5-9,21H,1-4H3"	COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)O)OC	AAASNKNLMQBKFV-UHFFFAOYSA-N
DG50768	"3-Hydroxy-3',4'-dimethoxyflavone"	97143	"6889-80-1; 3-HYDROXY-3',4'-DIMETHOXYFLAVONE; 3',4'-dimethoxyflavonol; 2-(3,4-Dimethoxyphenyl)-3-hydroxy-4H-chromen-4-one; 2-(3,4-dimethoxyphenyl)-3-hydroxychromen-4-one; UNII-9B35R9JIHA; NSC 102051; NSC102051; 9B35R9JIHA; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3-hydroxy-; 3',4'-Dimethoxy-3-hydroxyflavone; NSC-102051; Spectrum2_001702; Spectrum3_001681; BSPBio_003202; CHEMBL77098; SPECTRUM1505278; SPBio_001684; SCHEMBL4285872; KBio3_002422; ZINC39299; DTXSID20218968; CCG-38784; STK183045; AKOS002317497; MCULE-1160192481; SDCCGMLS-0066918.P001; NCGC00095705-01; NCGC00095705-02; AC-28397; BS-51869; DA-28520; NCI60_000057; CS-0092577; FT-0707161; E74020; 2-(3,4-dimethoxyphenyl)-3-hydroxy-chromen-4-one; SR-05000002552; SR-05000002552-1; 3-hydroxy-2-(3,4-dimethoxyphenyl)-4h-chromen-4-one; BRD-K92171060-001-03-4; Q27272303; 2-(3,4-Dimethoxyphenyl)-3-hydroxy-4H-1-benzopyran-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102051	.	.	.	.	298.29	C17H14O5	65	458	3.3	22	1	5	3	"InChI=1S/C17H14O5/c1-20-13-8-7-10(9-14(13)21-2)17-16(19)15(18)11-5-3-4-6-12(11)22-17/h3-9,19H,1-2H3"	COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O)OC	BXLAVJWSFYZDPF-UHFFFAOYSA-N
DG50769	Dimethylaminoethanethiol S-sulfate	97248	"Dimethylaminoethanethiol S-sulfate; 14013-30-0; NSC108225; CHEBI:53208; S-2-(dimethylamino)ethyl thiosulfate; S-[2-(dimethylamino)ethyl] hydrogen thiosulfate; Thiosulfuric acid (H2S2O3), S-(2-(dimethylamino)ethyl) ester (7CI,8CI,9CI); NSC-108225; S-[2-(dimethylamino)ethyl] hydrogen sulfurothioate; S-(2-(dimethylamino)ethyl) hydrogen thiosulfate; NSC 108225; BRN 1767088; Thiosulfuric acid, S-(2-(Dimethylamino)ethyl) ester; Epitope ID:167836; NCIStruc1_000259; NCIStruc2_000058; CHEMBL1742201; SCHEMBL14058822; DTXSID70161238; CCG-38017; NCGC00014090; NCI108225; ZINC31342933; NCGC00014090-02; NCGC00097199-01; NCI60_000195; thiosulfuric acid S-(2-dimethylamino-ethyl ester); Q27124021"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	108225	.	.	.	.	185.3	C4H11NO3S2	91.3	169	-2.7	10	1	5	4	"InChI=1S/C4H11NO3S2/c1-5(2)3-4-9-10(6,7)8/h3-4H2,1-2H3,(H,6,7,8)"	CN(C)CCSS(=O)(=O)O	RRJZGRCYRQRMEO-UHFFFAOYSA-N
DG50770	10-Methoxycamptothecin	97283	"10-Methoxycamptothecin; 19685-10-0; Methoxycamptothecin; Camptothecin, methoxy-; (19S)-19-ethyl-19-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione; 10-Methoxycamptothecine; NSC111533; NSC 111533; (S)-10-Methoxycamptothecin; CHEMBL75854; SCHEMBL1035263; DTXSID60941445; 4-Ethyl-4-hydroxy-9-methoxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; HY-N0446; ZINC4823972; Camptothecine, 10-methoxy- (8CI); 7992AH; AKOS030573697; (S)-10-methoxycamptothecin AldrichCPR; NSC-111533; (S)-10-methoxycamptothecin, AldrichCPR; NCI60_000257; CS-0008979; A14767; Q-100242; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-9-methoxy-, (S)- (9CI); 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-9-methoxy-, (4S)-; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-9-methoxy-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111533	.	.	.	.	378.4	C21H18N2O5	89	790	1	28	1	6	2	"InChI=1S/C21H18N2O5/c1-3-21(26)15-8-17-18-12(6-11-7-13(27-2)4-5-16(11)22-18)9-23(17)19(24)14(15)10-28-20(21)25/h4-8,26H,3,9-10H2,1-2H3/t21-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)OC)O	KLFJSYOEEYWQMR-NRFANRHFSA-N
DG50771	S-Hexadecyl methanethiosulfonate	97458	"S-Hexadecyl methanethiosulfonate; 7559-47-9; 1-methylsulfonylsulfanylhexadecane; Methanesulfonic acid, thio-, S-hexadecyl ester; NSC124764; NSC 124764; BRN 1912441; SCHEMBL5464692; CHEMBL1970837; DTXSID20997024; ZINC72399913; Methanesulfonic acid, S-hexadecyl ester; NSC-124764; Methanethiosulfonic acid S-hexadecyl ester; NCI60_000577; FT-0669164"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	124764	.	.	.	.	336.6	C17H36O2S2	67.8	294	7.8	21	0	3	16	"InChI=1S/C17H36O2S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21(2,18)19/h3-17H2,1-2H3"	CCCCCCCCCCCCCCCCSS(=O)(=O)C	GIJWOCGDZZKJAD-UHFFFAOYSA-N
DG50772	S-Decyl p-toluenethiosulfonate	97461	"S-Decyl p-toluenethiosulfonate; p-Toluenesulfonic acid, thio-, S-decyl ester; 28519-33-7; NSC124770; S-Decyl 4-methylbenzenesulfonothioate; NSC 124770; BRN 2700606; Benzenesulfonothioic acid, 4-methyl-, S-decyl ester; CHEMBL2007493; DTXSID40182738; p-Toluenesulfonic acid, S-decyl ester; NSC-124770; 1-decylsulfanylsulfonyl-4-methyl-benzene; Benzenesulfonothioic acid, S-decyl ester; NCI60_000578; 4-Methylbenzenesulfonothioic acid S-decyl ester; Benzenesulfonothioic acid, 4-methyl-, S-decyl ester (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	124770	.	.	.	.	328.5	C17H28O2S2	67.8	338	6.5	21	0	3	11	"InChI=1S/C17H28O2S2/c1-3-4-5-6-7-8-9-10-15-20-21(18,19)17-13-11-16(2)12-14-17/h11-14H,3-10,15H2,1-2H3"	CCCCCCCCCCSS(=O)(=O)C1=CC=C(C=C1)C	BJWRHSVAOWXOSZ-UHFFFAOYSA-N
DG50773	tetra-O-methyl nordihydroguaiaretic acid	97616	"Tmndga; 5701-82-6; tetra-O-methyl nordihydroguaiaretic acid; Tetramethoxynordihydroguaiaretic acid; EM-1421; 1,1'-(2,3-Dimethyl-1,4-butanediyl)bis(3,4-dimethoxybenzene); 4-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene; Tetra-O-methyl-ndga; Tetra-O-methylnordihydroguaiaretic acid; FW 358.2; NSC 136955; Dimethyldihydroguaiaretic acid; 4,4'-(2,3-Dimethyl-1,4-butanediyl)bis-1,2-dimethoxybenzene; 1,1'-(2,3-dimethylbutane-1,4-diyl)bis(3,4-dimethoxybenzene); meso-1,4-Bis(3,4-dimethoxyphenyl)dimethylbutane; CHEMBL492149; SCHEMBL2356280; DTXSID10972502; Benzene, 1,1'-(2,3-dimethyl-1,4-butanediyl)bis(3,4-dimethoxy-; ZAA15024; NSC136955; ACN-035794; MCULE-8960057146; NSC-136955; Tetra-O-methyl-nordihydroguaiaretic acid; 1,4-dimethoxyphentl)-2,3-dimethylbutane; 701B826; Butane,4-bis(3,4-dimethoxyphenyl)-2,3-dimethyl-; 1,4-Bis(3,4-dimethoxyphenyl)-2,3-dimethyl-butane; Benzene,1'-(2,3-dimethyl-1,4-butanediyl)bis[3,4-dimethoxy]; NCGC00384872-01!4-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136955	.	.	.	.	358.5	C22H30O4	36.9	352	5.6	26	0	4	9	"InChI=1S/C22H30O4/c1-15(11-17-7-9-19(23-3)21(13-17)25-5)16(2)12-18-8-10-20(24-4)22(14-18)26-6/h7-10,13-16H,11-12H2,1-6H3"	CC(CC1=CC(=C(C=C1)OC)OC)C(C)CC2=CC(=C(C=C2)OC)OC	ORQFDHFZSMXRLM-UHFFFAOYSA-N
DG50774	Bis-A-tda	97676	"Bis-A-tda; 26907-37-9; NSC-143019; n,n'-di(1,3,4-thiadiazol-2-yl)methanediamine; TK-5477; MLS002920577; N,N-Methylenebis(1,3,4-thiadiazol-2-amine); NSC143019; Methanediamine, N,N'-bis(1,3,4-thiadiazol-2-yl)-; Dikushuang; N,N'-bis(1,3,4-thiadiazol-2-yl)methanediamine; SMR001798165; Thiodaqual; Di-Ku-shuang; Bis-ADTA; Methylenebisaminothiazole; BRN 0993888; N,N'-Bis(1,3,4-thiadazol-2-yl)methanediamine; N,N'-Methylenebis(2-amino-1,3,4-thiadiazole); 1,3,4-Thiadiazole, 2,2'-(methylenediimino)bis-; NCIStruc1_000934; NCIStruc2_000692; N,N'-methylene-bis(2-amino-1,3,4-thiadiazole); cid_97676; SCHEMBL5096038; CHEMBL1326228; BDBM91445; DTXSID90181413; ZINC1727081; CCG-37592; NCGC00014373; NCI143019; NCGC00014373-02; NCGC00097481-01; NCI60_000938; 1,4-Thiadiazole, 2,2'-(methylenediimino)bis-; N,N-di(1,3,4-thiadiazol-2-yl)methanediamine; N,N''-bis(1,3,4-thiadiazol-2-yl)methanediamine; N,N'-Bis-[1,3,4]thiadiazol-2-yl-methanediamine; Methanediamine, N,N'-bis(1,3,4-thiadiazol-2-yl)- (9CI); 1,3,4-thiadiazol-2-yl-[(1,3,4-thiadiazol-2-ylamino)methyl]amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143019	.	.	.	.	214.3	C5H6N6S2	132	142	1.2	13	2	8	4	"InChI=1S/C5H6N6S2/c1(6-4-10-8-2-12-4)7-5-11-9-3-13-5/h2-3H,1H2,(H,6,10)(H,7,11)"	C1=NN=C(S1)NCNC2=NN=CS2	WMAHFAYLCMTHCB-UHFFFAOYSA-N
DG50775	"4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-"	97694	"35597-82-1; NSC144872; 4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-; 2,3,5-Trichloro-6-(methylsulfonyl)isonicotinonitrile; NSC 144872; CHEMBL1974011; SCHEMBL11882984; 2,3,5-Trichloro-6-(methylsulfonyl)-4-pyridinecarbonitrile; DTXSID80189064; ZINC1728079; NSC-144872; NCI60_000972; Isonicotinonitrile,3,5-trichloro-6-(methylsulfonyl)-; 2,3,5-trichloro-6-methylsulfonyl-pyridine-4-carbonitrile; 4-Pyridinecarbonitrile,3,5-trichloro-6-(methylsulfonyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144872	.	.	.	.	285.5	C7H3Cl3N2O2S	79.2	385	2.4	15	0	4	1	"InChI=1S/C7H3Cl3N2O2S/c1-15(13,14)7-5(9)3(2-11)4(8)6(10)12-7/h1H3"	CS(=O)(=O)C1=NC(=C(C(=C1Cl)C#N)Cl)Cl	NWTXKBMAZQDKMI-UHFFFAOYSA-N
DG50776	"Acetamide, N-(6,7-dihydro-3,9,10,11-tetramethoxy-5H-dibenzo(a,c)cyclohepten-5-yl)-, (S)-"	97866	"Colchinol, N-acetyl-, methyl ether; N-Acetylcolchinol methyl ether; SKF 287; CHEMBL52534; Acetamide, N-(6,7-dihydro-3,9,10,11-tetramethoxy-5H-dibenzo(a,c)cyclohepten-5-yl)-, (S)-; Acetamide, N-(6,7-dihydro-3,9,10,11-tetramethoxy-5H-dibenzo[a,c]cyclohepten-5-yl)-, (S)-; N-Acetyl colchinol methyl ether; N-Acetylcolchinol O-methyl ether; MLS002702990; NSC 51046; N-Acetylcolchinol, methyl ether; N-Azetyl-colchinol-methylaether [German]; NSC51046; N-Azetyl-colchinol-methylaether; BDBM50409021; SMR001566799; N-(1,2,3,9-tetramethoxy-6,7-dihydro-5H-dibenzo[[ ],[ ]][7]annulen-7-yl)acetamide; N-(3,9,10,11-Tetramethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl)acetamide; N-(3,9,10,11-Tetramethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl)acetamide #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51046	.	.	.	.	371.4	C21H25NO5	66	501	3	27	1	5	5	"InChI=1S/C21H25NO5/c1-12(23)22-17-9-6-13-10-18(25-3)20(26-4)21(27-5)19(13)15-8-7-14(24-2)11-16(15)17/h7-8,10-11,17H,6,9H2,1-5H3,(H,22,23)"	CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)OC)OC)OC)OC	FEPNCXXZWLXIHV-UHFFFAOYSA-N
DG50777	"1-Aziridinecarboxamide, N,N'-hexamethylenebis(2-methyl-"	97887	"3901-51-7; 1-Aziridinecarboxamide, N,N'-hexamethylenebis(2-methyl-; NSC54059; 2-methyl-N-[6-[(2-methylaziridine-1-carbonyl)amino]hexyl]aziridine-1-carboxamide; 1-Aziridinecarboxamide, N,N'-1,6-hexanediylbis[2-methyl-; 1-Aziridinecarboxamide, N,N'-1,6-hexanediylbis(2-methyl-; NSC 54059; SCHEMBL30768; CHEMBL2000215; DTXSID90959851; NSC-54059; AKOS024336427; MCULE-6316577720; NCI60_004334; 1-Aziridinecarboxamide,N'-hexamethylenebis(2-methyl-; 1-Aziridinecarboxamide,N'-1,6-hexanediylbis[2-methyl-; 1-Aziridinecarboxamide, {N,N'-1,6-hexanediylbis[2-methyl-}; 3,3'-(Hexane-1,6-diyl)bis[1,1-(propane-1,2-diyl)urea]; N,N'-(Hexane-1,6-diyl)bis(2-methylaziridine-1-carboxamide); N,N'-(hexane-1,6-diyl)bis-(2-methylaziridine-1-carboxamide); N,N'-HEXAMETHYLENEBIS(2-METHYL-1-AZIRIDINECARBOXAMIDE); N,N'-(Hexane-1,6-diyl)bis(2-methylaziridine-1-carboximidic acid); 2-Methyl-N-(6-(((2-methyl-1-aziridinyl)carbonyl)amino)hexyl)-1-aziridinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54059	.	.	.	.	282.38	C14H26N4O2	64.2	327	0.7	20	2	2	7	"InChI=1S/C14H26N4O2/c1-11-9-17(11)13(19)15-7-5-3-4-6-8-16-14(20)18-10-12(18)2/h11-12H,3-10H2,1-2H3,(H,15,19)(H,16,20)"	CC1CN1C(=O)NCCCCCCNC(=O)N2CC2C	QJMVVECCBAWCLZ-UHFFFAOYSA-N
DG50778	Hedamycin	98033	"Hedamycin; Crystalline antibiotic B 26,158; NSC-70929; 11048-97-8; Antibiotic B26,158; NSC70929; B 26158; Antiobiotic B 28158, crystalline; 10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione; Antibiotic B26158; NSC-70929D; NSC 70929; antibiotic B 26,158; CHEMBL1979887; GTPL10958; 4H-Anthra(1,2-b)pyran-4,7,12-trione, 2-(3,3'-dimethyl(2,2'-bioxiran)-3-yl)-11-hydroxy-5-methyl-8-(2,3,6-trideoxy-3-(dimethylamino)-beta-D-arabino-hexopyranosyl)-10-(2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-; NCI60_038569; B26158; Q15411002; 10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione; 4H-Anthra(1,2-b)pyran-4,7,12-trione, 2-(3,3'-dimethyl(2,2'-bioxiran-3-yl)-11-hydroxy-5-methyl-8-(2,3,6-trideoxy-3-(dimethylamino)-.beta.-D-arabino-hexopyranosyl)-10-(2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-.alpha.-L-lyxo-hexopyranos yl]-; 4H-Anthra[1,7,12-trione, 2-(3,3'-dimethyl[2,2'-bioxiran]-3-yl)-11-hydroxy-5-methyl-8-[2,3,6-trideoxy-3-(dimethylamino)-.beta.-D-arabino-hexopyranosyl]-10-[2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-.alpha.-L-lyxo-hexopyranosyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	70929	.	.	.	.	746.8	C41H50N2O11	171	1570	2.6	54	3	13	6	"InChI=1S/C41H50N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-12,14,17-19,23,25-26,32,36,38-39,45-46,49H,13,15H2,1-10H3"	CC1C(C(CC(O1)C2=CC(=C(C3=C2C(=O)C4=C(C3=O)C5=C(C(=C4)C)C(=O)C=C(O5)C6(C(O6)C7C(O7)C)C)O)C8CC(C(C(O8)C)O)(C)N(C)C)N(C)C)O	RZOFHOWMWMTHDX-UHFFFAOYSA-N
DG50779	Epoxypiperazine	98074	"Epoxypiperazine; Diepoxypiperazine; 1,4-bis(oxiran-2-ylmethyl)piperazine; Diglycidyl piperazine; 2917-98-8; 1,4-Bis(oxiranylmethyl)piperazine; 1,4-Bis(2,3-epoxypropyl)piperazine; NSC74437; Diepoxy piperazine; 1,4-Bis(2-oxiranylmethyl)piperazine; USAF EL-26; N,N'-Bis(2,3-epoxypropyl)piperazine; NSC 74437; BRN 0081824; Piperazine, 1,4-bis(2,3-epoxypropyl)-; AI3-52831; N,3-epoxypropyl)piperazine; 1,3-epoxypropyl)piperazine; NCIOpen2_000546; 4-23-00-00338 (Beilstein Handbook Reference); SCHEMBL354055; CHEMBL1993503; DTXSID00874127; Piperazine,4-bis(oxiranylmethyl)-; NSC-74437; Piperazine,4-bis(2,3-epoxypropyl)-; AKOS006277087; N, N'-Bis(2,3-epoxypropyl)piperazine; Piperazine, 1, 4-bis(oxiranylmethyl)-; NCI60_041628; Piperazine, 1,4-bis(2, 3-epoxypropyl)-; Piperazine, 1,4-bis(oxiranylmethyl)- (9CI); PIPERAZINE,1,4-BIS(2,3-EPOXYPROPYL)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	74437	.	.	.	.	198.26	C10H18N2O2	31.5	182	-0.5	14	0	4	4	"InChI=1S/C10H18N2O2/c1-2-12(6-10-8-14-10)4-3-11(1)5-9-7-13-9/h9-10H,1-8H2"	C1CN(CCN1CC2CO2)CC3CO3	XNWUTCRFGMBUOP-UHFFFAOYSA-N
DG50780	9-(4-Thiopentofuranosyl)-9h-purin-6-amine	98140	15023-72-0; 9-(4-thiopentofuranosyl)-9h-purin-6-amine; DTXSID70933896; NSC81154; NSC82219; NSC97111; NSC-81154; NSC-82219; NSC-97111; NSC109160; NSC110342; NSC-109160; NSC-110342; 15023-77-5; 15023-73-1; 2500-79-0	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82219	.	.	.	.	283.31	C10H13N5O3S	156	338	-0.3	19	4	8	2	"InChI=1S/C10H13N5O3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)"	C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(S3)CO)O)O)N	SIGIJBMOORTVPB-UHFFFAOYSA-N
DG50781	"Camptothecin, acetate"	98264	"Camptothecin, acetate; NSC95382; 7688-64-4; Neuro_000043; 4-Ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl acetate; [ethyl(dioxo)[ ]yl] acetate; CHEMBL2004368; SCHEMBL12045792; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-(acetyloxy)-4-ethyl-, (S)-; NSC-95382; NCI60_042119; 4-Acetyloxy-4-ethyl-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 4-(acetyloxy)-4-ethyl-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95382	.	.	.	.	390.4	C22H18N2O5	85.8	846	1.6	29	0	6	3	"InChI=1S/C22H18N2O5/c1-3-22(29-12(2)25)16-9-18-19-14(8-13-6-4-5-7-17(13)23-19)10-24(18)20(26)15(16)11-28-21(22)27/h4-9H,3,10-11H2,1-2H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)C	ASVIEXKOXDCZDF-UHFFFAOYSA-N
DG50782	"Urea, 1-(2-chloroethyl)-1-nitroso-3-(thiochroman-4-yl)-"	98351	"33022-03-6; 1-(2-Chloroethyl)-1-nitroso-3-(thiochroman-4-yl)urea; Urea, 1-(2-chloroethyl)-1-nitroso-3-(thiochroman-4-yl)-; NSC 110800; BRN 1397051; NSC110800; 1-(2-Chloroethyl)-3-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-nitrosourea; N-(2-Chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitrosourea; Urea, 1-(2-chloroethyl)-3-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-nitroso-; CHEMBL12470; NSC-110800; Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso- (9CI); NCI60_000250; Urea,4-dihydro-2H-1-benzothiopyran-4-yl)-1-nitroso-; Urea,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso-; 1-(2-chloro-ethyl)-1-nitroso-3-thiochroman-4-yl-urea; Urea, 1-(2-chloroethyl)-3-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-nitroso- (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	110800	.	.	.	.	299.78	C12H14ClN3O2S	87.1	332	2.6	19	1	4	3	"InChI=1S/C12H14ClN3O2S/c13-6-7-16(15-18)12(17)14-10-5-8-19-11-4-2-1-3-9(10)11/h1-4,10H,5-8H2,(H,14,17)"	C1CSC2=CC=CC=C2C1NC(=O)N(CCCl)N=O	YYNJYTGDJJPAFO-UHFFFAOYSA-N
DG50783	"6,6'-Dimethoxy-2,2'-dimethylberbaman-7,12-diol"	98409	"NSC251534; 57377-42-1; 6,6'-Dimethoxy-2,2'-dimethyl-9',10',11',12',13',14'-hexadehydro-9',10',11',12',13',14'-hexahydroberbaman-7,12-diol; 6,6'-dimethoxy-2,2'-dimethylberbaman-7,12-diol; CHEMBL1976284; DTXSID80972877; NSC 251534; (1'.BETA.)-6,2'-DIMETHYLBERBAMAN-7,12-DIOL; 6,6'-Dimethoxy-2,2'-dimethyl-9',10',11',12',13',14'-hexadehydro-9',10',11',12',13',14'-hexahydroberbaman-7,12-diol #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	251534	.	.	.	.	594.7	C36H38N2O6	83.9	948	5.7	44	2	8	2	"InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-30-17-22(7-10-29(30)39)16-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3"	CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC	XGEAUXVPBXUBKN-UHFFFAOYSA-N
DG50784	Argemonine	98569	"Argemonine; N-Methylpavine; N-Methylpavin; (-)-(S)-N-Methylpavine; (-)-(S,S)-N-Methylpavine; (-)-Argemonine; Argemonine, (-)-; 6901-16-2; CHEBI:77060; NSC148823; NSC645246; 2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene; 4,5,12,13-tetramethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene; Argemonine (8CI); Argemonine, (.+-.)-; 16584-62-6; Argemonine, (+)-; NSC 148823; NSC 645246; Argemonine, (.+-.); Oprea1_411222; SCHEMBL3865650; CHEMBL1964569; DTXSID90937134; NSC148821; NSC148822; NSC-148821; NSC-148822; NSC-148823; NSC-645246; NCI60_001021; NCI60_015398; C20770; Q27146596; Dibenzo[a,11-imine, 5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl-, (5S)-; {Dibenzo[a,e]cycloocten-5,} 11-imine, 5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl-, (5S)-; Dibenzo(a,e)cycloocten-5,11-imine, 5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl-, (5S)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	148823	.	.	.	.	355.4	C21H25NO4	40.2	447	3.3	26	0	5	4	"InChI=1S/C21H25NO4/c1-22-16-6-12-8-18(23-2)20(25-4)10-14(12)17(22)7-13-9-19(24-3)21(26-5)11-15(13)16/h8-11,16-17H,6-7H2,1-5H3"	CN1C2CC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)OC)OC)OC)OC	QEOWCPFWLCIQSL-UHFFFAOYSA-N
DG50785	"2,4-Diamino-6-(2-naphthalenylsulfonyl)quinazoline"	98652	"WR 158122; 51123-83-2; 2,4-Diamino-6-(2-naphthalenylsulfonyl)quinazoline; 6-naphthalen-2-ylsulfonylquinazoline-2,4-diamine; MLS002920661; TCMDC-137192; UNII-3LR92USV18; 3LR92USV18; GNF-PF-2448; SMR001798248; WR-158122; NSC 157388; BRN 0763154; WR-158,122; 2,4-Diamino-6-(2'-naphthyl)sulfonylquinazoline; 2,4-Quinazolinediamine, 6-(2-naphthalenylsulfonyl)-; 2,4-Diamino-6-(2-naphthyl-sulfonyl)-quinazoline; 5-25-13-00133 (Beilstein Handbook Reference); cid_98652; CHEMBL268584; SCHEMBL5619636; BDBM83720; DTXSID40199144; 2, 6-(2-naphthalenylsulfonyl)-; ZINC6118800; NSC157388; NSC-157388; NCI60_001140; WR 158,122; 2,4-Diamino-6-(2-naphthylsulfonyl)quinazoline; 6-(2-naphthylsulfonyl)-2,4-quinazolinediamine; 2,4-diamino-6-(2-naphthylsulfonyl) quinazoline; 2,4-diamino-6-(naphth-2-ylsulfonyl)quinazoline; 6-(2-naphthalenylsulfonyl)quinazoline-2,4-diamine; [2-amino-6-(2-naphthylsulfonyl)quinazolin-4-yl]amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157388	.	.	.	.	350.4	C18H14N4O2S	120	578	3	25	2	6	2	"InChI=1S/C18H14N4O2S/c19-17-15-10-14(7-8-16(15)21-18(20)22-17)25(23,24)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H4,19,20,21,22)"	C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)C3=CC4=C(C=C3)N=C(N=C4N)N	GBVQWZXJDIIUCC-UHFFFAOYSA-N
DG50786	"2-Norbornanone, 3-(2-chloro-1-chlorodifluoromethyl-2,2-difluoroethylidene)-"	98712	"NSC162062; 35474-70-5; NSC 162062; BRN 2146248; 2-Norbornanone, 3-(2-chloro-1-chlorodifluoromethyl-2,2-difluoroethylidene)-; 3-((2-Chloro-2,2-difluoro-1-(chlorodifluoro)methyl)ethylidene)bicyclo(2.2.1)heptane-2-one; CHEMBL2005480; DTXSID10956882; NSC-162062; NCI60_001206; Bicyclo[2.2.1]heptan-2-one,2-difluoroethylidene]-; 3-(1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ylidene)bicyclo[2.2.1]heptan-2-one; 3-(2-Chloro-1-(chloro(difluoro)methyl)-2,2-difluoroethylidene)bicyclo[2.2.1]heptan-2-one; 3-[2-Chloro-1-(chlorodifluoromethyl)-2,2-difluoroethylidene]-2-norbornanone; 3-[2-chloro-1-[chloro(difluoro)methyl]-2,2-difluoro-ethylidene]norbornan-2-one; {Bicyclo[2.2.1]heptan-2-one,} {3-[2-chloro-1-(chlorodifluoromethyl)-2,2-difluoroethylidene]-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	162062	.	.	.	.	291.07	C10H8Cl2F4O	17.1	389	3.9	17	0	5	2	"InChI=1S/C10H8Cl2F4O/c11-9(13,14)8(10(12,15)16)6-4-1-2-5(3-4)7(6)17/h4-5H,1-3H2"	C1CC2CC1C(=C(C(F)(F)Cl)C(F)(F)Cl)C2=O	OFBNFLKOUJGNRK-UHFFFAOYSA-N
DG50787	Diiodobenzotepa	98818	"Diiodobenzotepa; Diiodobenzoteph; Dijodbenzotef; Diiodbenzoteph; 2,5-Diodobenzo-TEPA; 4460-32-6; N-[bis(aziridin-1-yl)phosphoryl]-2,5-diiodobenzamide; MLS002702052; NSC167781; Diiodobenzotef; NSC 167781; BRN 1324621; Diiodbezotef; Benzamide,5-diiodo; N-(Bis(1-aziridinyl)phosphinyl)-2,5-diiodobenzamide; Phosphinic amide, P,P-bis(1-aziridinyl)-2,5-diiodobenzoyl-; N-2,5-Diiodobenzoyl-N',N',N'',N''-diethylenephosphortriamide; 2, 5-Diodobenzo-TEPA; CHEMBL460297; Benzamide, N-(bis(1-aziridinyl)phosphinyl)-2,5-diiodo-; DTXSID90196244; ZINC44362096; NSC-167781; NCI60_001328; SMR001565624; N-(Di(1-aziridinyl)phosphoryl)-2,5-diiodobenzamide; N-[bis(aziridin-1-yl)phosphoryl]-2,5-diiodo-benzamide; Benzamide, {N-[bis(1-aziridinyl)phosphinyl]-2,5-diiodo-}; Benzamide, {N-[bis(1-aziridinyl)phosphinyl]-2,5-diiodo} ( )"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	167781	.	.	.	.	503.01	C11H12I2N3O2P	52.2	412	1.7	19	1	4	4	"InChI=1S/C11H12I2N3O2P/c12-8-1-2-10(13)9(7-8)11(17)14-19(18,15-3-4-15)16-5-6-16/h1-2,7H,3-6H2,(H,14,17,18)"	C1CN1P(=O)(NC(=O)C2=C(C=CC(=C2)I)I)N3CC3	BFKKCDNAUZMDOX-UHFFFAOYSA-N
DG50788	cis-4-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexaneacetic acid	98897	"52320-89-5; 56208-24-3; NSC 204816; NSC 175377; cis-4-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexaneacetic acid; Cyclohexaneacetic acid, cis-; Cyclohexaneacetic acid, (E)-; Cyclohexaneacetic acid, (Z)-; Cyclohexaneacetic acid, trans-; CHEMBL1995873; CHEMBL1999834; DTXSID90966702; NSC175377; NSC204816; ZINC17004319; Cyclohexaneacetic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, (E)-; Cyclohexaneacetic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, (Z)-; NSC-175377; NSC-204816; Cyclohexaneacetic acid, 4-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, cis- (9CI); Cyclohexaneacetic acid, 4-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, trans- (9CI); NCI60_001435; NCI60_001719; 4alpha-[3-(2-Chloroethyl)-3-nitrosoureido]cyclohexane-1alpha-acetic acid; 4beta-[3-(2-Chloroethyl)-3-nitrosoureido]cyclohexane-1alpha-acetic acid; [4-({[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}amino)cyclohexyl]acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175377	.	.	.	.	291.73	C11H18ClN3O4	99.1	332	2.3	19	2	5	5	"InChI=1S/C11H18ClN3O4/c12-5-6-15(14-19)11(18)13-9-3-1-8(2-4-9)7-10(16)17/h8-9H,1-7H2,(H,13,18)(H,16,17)"	C1CC(CCC1CC(=O)O)NC(=O)N(CCCl)N=O	RGSCZHWAYJQOJX-UHFFFAOYSA-N
DG50789	"Piperidine, 2-methyl-6-undecyl-"	99090	"2-methyl-6-undecylpiperidine; Methylundecylpiperidine, cis; NSC166588; NSC172610; 92619-72-2; Piperidine, 2-methyl-6-undecyl-; 137038-57-4; METHYLUNDECYLPIPERIDINE, TRANS; Methylundecylpiperidine; trans-Methylundecylpiperidine; SCHEMBL2688464; CHEMBL1991422; NSC 172610; NSC-166588; NSC-172610; Piperidine, cis-2-metyhl-6-n-undecyl-; 83709-88-0; NCI60_001394; PIPERIDINE, CIS-2-METHYL-6-N-UNDECYL-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166588	.	.	.	.	253.5	C17H35N	12	178	6.7	18	1	1	10	"InChI=1S/C17H35N/c1-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(2)18-17/h16-18H,3-15H2,1-2H3"	CCCCCCCCCCCC1CCCC(N1)C	AYJGABFBAYKWDX-UHFFFAOYSA-N
DG50790	Tetrangulol	99188	"Tetrangulol; 7414-92-8; 1,8-dihydroxy-3-methylbenzo[a]anthracene-7,12-dione; 1,8-dihydroxy-3-methyltetraphene-7,12-dione; CHEBI:32212; NSC194618; 1,8-Dihydroxy-3-methylbenz(a)anthracene-7,12-dione; 18-Dihydroxy-3-methylbenz(a)anthracene-7,12-dione; SCHEMBL5071398; CHEMBL1668340; DTXSID90225109; BS-1065; NSC 194618; NSC-194618; NCI60_001626; Benz[a]anthracene-7, 1,8-dihydroxy-3-methyl-; Q27114830; Benz(a)anthracene-7,12-dione, 1,8-dihydroxy-3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	194618	.	.	.	.	304.3	C19H12O4	74.6	516	4.3	23	2	4	0	"InChI=1S/C19H12O4/c1-9-7-10-5-6-12-17(15(10)14(21)8-9)19(23)11-3-2-4-13(20)16(11)18(12)22/h2-8,20-21H,1H3"	CC1=CC2=C(C(=C1)O)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4O	NFUYRESOTVGLRL-UHFFFAOYSA-N
DG50791	"3-Benzyl-5-methyl-1,3,5-thiadiazinane-2-thione"	99221	"3-benzyl-5-methyl-1,3,5-thiadiazinane-2-thione; UNII-RG8L6E8RDW; RG8L6E8RDW; 14318-39-9; 2H-1,3,5-Thiadiazine-2-thione, 3-benzyltetrahydro-5-methyl- (6CI,7CI,8CI); D 4735; NSC 201646; BRN 0522471; Tetrahydro-3-benzyl-5-methyl-2H-1,3,5-thiadiazine-2-thione; Oprea1_615196; DTXSID20162336; 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-benzyl-5-methyl-; NSC201646; ZINC31343370; NSC-201646; DS-008755; 3-Benzyl-5-methyltetrahydro-1,3,5-thiadiazine-2-thione; 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-methyl-3-(phenylmethyl)- (9CI); 2H-1,3,5-THIADIAZINE-2-THIONE,TETRAHYDRO-5-METHYL-3-(PHENYLMETHYL)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201646	.	.	.	.	238.4	C11H14N2S2	63.9	227	2.8	15	0	3	2	"InChI=1S/C11H14N2S2/c1-12-8-13(11(14)15-9-12)7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3"	CN1CN(C(=S)SC1)CC2=CC=CC=C2	BFLHJRCTMSBRPJ-UHFFFAOYSA-N
DG50792	Isodiospyrin	99298	"ISODIOSPYRIN; 20175-84-2; Isoldiospyrin; rac-Isodiospyrin; C22H14O6; NSC208731; 5-hydroxy-6-(4-hydroxy-2-methyl-5,8-dioxonaphthalen-1-yl)-7-methylnaphthalene-1,4-dione; CHEBI:6002; 89475-33-2; [1,2'-Binaphthalene]-5,5',8,8'-tetrone, 1',4-dihydroxy-2,3'-dimethyl-, (-)-; 5-hydroxy-6-(4-hydroxy-2-methyl-5,8-dioxo-1-naphthyl)-7-methyl-naphthalene-1,4-dione; [1,2'-Binaphthalene]-5,5',8,8'-tetrone, 1',4-dihydroxy-2,3'-dimethyl-, (R)- (8CI); (1R)-1',4-Dihydroxy-2,3'-dimethyl[1,2'-binaphthalene]-5,5',8,8'-tetrone; (-)-Isodiospyrin; (1,2'-Binaphthalene)-5,5',8,8'-tetrone, 1',4-dihydroxy-2,3'-dimethyl-, (-)-; NSC 208731; CHEMBL1992900; BDBM93040; DTXSID90174007; ZINC899329; AKOS030533948; NSC-208731; NCI60_001744; W2139; Q27106975; 5,5'-Dihydroxy-7,7'-dimethyl-6,8'-bi[1,4-naphthoquinone]; [1,5',8,8'-tetrone, 1',4-dihydroxy-2,3'-dimethyl-, (-)-; 1',4-dihydroxy-2,3'-dimethyl-(1,2'-binaphthalene)-5,5',8,8'-tetrone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	208731	.	.	.	.	374.3	C22H14O6	109	795	3.7	28	2	6	1	"InChI=1S/C22H14O6/c1-9-7-11-12(23)3-4-13(24)19(11)22(28)18(9)17-10(2)8-16(27)20-14(25)5-6-15(26)21(17)20/h3-8,27-28H,1-2H3"	CC1=CC2=C(C(=O)C=CC2=O)C(=C1C3=C4C(=O)C=CC(=O)C4=C(C=C3C)O)O	OEEOHKZVBKYMBA-UHFFFAOYSA-N
DG50793	"6,6'-Methylenebis(1,2-dihydro-2,2,4-trimethylquinoline)"	99342	"MTDQ; 41208-07-5; UNII-6BX61HE35O; MLS000756546; 6BX61HE35O; 6,6'-Methylene bis(2,2,4-trimethyl-1,2-dihydroquinoline); 6,6'-Methylenebis(1,2-dihydro-2,2,4-trimethylquinoline); Quinoline, 6,6'-methylenebis(1,2-dihydro-2,2,4-trimethyl)-; NSC 217697; BRN 0323757; Quinoline, 6,6'-methylenebis[1,2-dihydro-2,2,4-trimethyl]-; 4-23-00-01927 (Beilstein Handbook Reference); SCHEMBL9450756; CHEMBL1440240; DTXSID30194128; Quinoline, 6,6'-methylenebis(1,2-dihydro-2,2,4-trimethyl-; ZINC4773602; NSC217697; 2,2,4-trimethyl-6-[(2,2,4-trimethyl-1H-quinolin-6-yl)methyl]-1H-quinoline; NSC-217697; NCGC00246775-01; SMR000528793; Quinoline,6'-methylenebis[1,2-dihydro-2,2,4-trimethyl-; Quinoline,6'-methylenebis[1,2-dihydro-2,2,4-trimethyl]-; 6,6'-methylene-bis-(2,2,4-trimethyl-1,2-dihydroquinoline)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	217697	.	.	.	.	358.5	C25H30N2	24.1	572	5.5	27	2	2	2	"InChI=1S/C25H30N2/c1-16-14-24(3,4)26-22-9-7-18(12-20(16)22)11-19-8-10-23-21(13-19)17(2)15-25(5,6)27-23/h7-10,12-15,26-27H,11H2,1-6H3"	CC1=CC(NC2=C1C=C(C=C2)CC3=CC4=C(C=C3)NC(C=C4C)(C)C)(C)C	ADHZMOYUJKFKSE-UHFFFAOYSA-N
DG50794	"3-Benzyl-5-butyl-1,3,5-thiadiazinane-2-thione"	99601	"3-benzyl-5-butyl-1,3,5-thiadiazinane-2-thione; NSC246981; CHEMBL136906; 21808-80-0; NSC-246981; 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)-; BRN 1081719; NCIStruc1_000753; NCIStruc2_001785; DTXSID10176225; 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-benzyl-5-butyl-; 5-Butyl-3-(phenylmethyl)tetrahydro-2H-1,3,5-thiadiazine-2-thione; BDBM50133919; CCG-36759; NCGC00014605; NCI246981; Tetrahydro-5-butyl-3-(phenylmethyl)-2H-1,3,5-thiadiazine-2-thione; ZINC27440245; NSC 246981; NCGC00014605-02; NCGC00097708-01; NCI60_001973; 3-Benzyl-5-butyl-[1,3,5]thiadiazinane-2-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	246981	.	.	.	.	280.5	C14H20N2S2	63.9	265	4	18	0	3	5	"InChI=1S/C14H20N2S2/c1-2-3-9-15-11-16(14(17)18-12-15)10-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3"	CCCCN1CN(C(=S)SC1)CC2=CC=CC=C2	GKODUQFGYOBNMB-UHFFFAOYSA-N
DG50795	Sudan Red B	99631	"Sudan Red B; Solvent Red 25; 3176-79-2; C.I. Solvent Red 25; UNII-6FF2354A0O; 1-[[3-methyl-4-[(3-methylphenyl)azo]phenyl]azo]-2-naphthol; 2-Naphthalenol, 1-[[3-methyl-4-[(3-methylphenyl)azo]phenyl]azo]-; 6FF2354A0O; 1-[[3-methyl-4-[(3-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol; 1-((3-Methyl-4-((3-methylphenyl)azo)phenyl)azo)-2-naphthol; Ceres Red B; 2-Naphthalenol, 1-((3-methyl-4-((3-methylphenyl)azo)phenyl)azo)-; Fat Deep Red; EINECS 221-647-7; SUDANREDB; SCHEMBL357735; SCHEMBL2389935; CHEMBL1997306; Sudan Red B, analytical standard; DTXSID501016720; MFCD00021456; NSC252816; ZINC18022178; AKOS015912776; AKOS024370871; ZINC104187917; ZINC104187921; ZINC104187924; MCULE-1569183976; NSC 252816; NSC-252816; AS-17208; NCI60_002029; C.I. 26110; Q27264817; 1-((3-Methyl-4-(m-tolyldiazenyl)phenyl)diazenyl)naphthalen-2-ol; 1-((E)-(3-methyl-4-((E)-m-tolyldiazenyl)phenyl)diazenyl)naphthalen-2-ol; 1-[(E)-[3-methyl-4-[(E)-(3-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	252816	.	.	.	.	380.4	C24H20N4O	69.7	579	7.1	29	1	5	4	"InChI=1S/C24H20N4O/c1-16-6-5-8-19(14-16)25-27-22-12-11-20(15-17(22)2)26-28-24-21-9-4-3-7-18(21)10-13-23(24)29/h3-15,29H,1-2H3"	CC1=CC(=CC=C1)N=NC2=C(C=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O)C	NHXXLZBKTKNTEF-UHFFFAOYSA-N
DG50796	"1,8-Octanediamine, N,N'-bis(3-methoxy-9-acridinyl)-"	99670	"64955-56-2; 1,8-Octanediamine, N,N'-bis(3-methoxy-9-acridinyl)-; NSC263434; CHEMBL3278758; DTXSID90983515; NSC 263434; NSC-263434; N,N'-(Octane-1,8-diyl)bis(3-methoxyacridin-9(10H)-imine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	263434	.	.	.	.	558.7	C36H38N4O2	68.3	734	9.3	42	2	6	13	"InChI=1S/C36H38N4O2/c1-41-25-17-19-29-33(23-25)39-31-15-9-7-13-27(31)35(29)37-21-11-5-3-4-6-12-22-38-36-28-14-8-10-16-32(28)40-34-24-26(42-2)18-20-30(34)36/h7-10,13-20,23-24H,3-6,11-12,21-22H2,1-2H3,(H,37,39)(H,38,40)"	COC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NCCCCCCCCNC4=C5C=CC(=CC5=NC6=CC=CC=C64)OC	APEGUHYDSVLTGU-UHFFFAOYSA-N
DG50797	Calvatic acid	99679	"Calvatic acid; 54723-08-9; Benzoic acid, 4-(cyano-NNO-azoxy)-; (4-carboxyphenyl)-cyanoimino-oxidoazanium; p-Carboxyphenylazoxycyanide; CHEMBL131824; NSC264713; AKOS006276191; ZINC104190211; NSC-264713; NCI60_002121; 4-carboxy-N-(cyanoimino)benzen-1-imine oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	264713	.	.	.	.	191.14	C8H5N3O3	102	296	1.3	14	1	5	2	"InChI=1S/C8H5N3O3/c9-5-10-11(14)7-3-1-6(2-4-7)8(12)13/h1-4H,(H,12,13)"	C1=CC(=CC=C1C(=O)O)[N+](=NC#N)[O-]	LDRFVNKBORCKQS-UHFFFAOYSA-N
DG50798	"Succinimide, 3-chloro-N-(p-methoxyphenyl)-"	99724	"Succinimide, 3-chloro-N-(p-methoxyphenyl)-; 36342-13-9; NSC 191909; BRN 0210254; alpha-Chloro-N-(p-methoxyphenyl)succinimide; NSC191909; 4-21-00-04578 (Beilstein Handbook Reference); SCHEMBL9354236; CHEMBL2000330; 2, 3-chloro-1-(4-methoxyphenyl)-; NSC-191909; .alpha.-Chloro-N-(p-methoxyphenyl)succinimide; 3-CHLORO-N-(P-METHOXYPHENYL)SUCCINIMIDE; 2,5-Pyrrolidinedione, 3-chloro-1-(4-methoxyphenyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	191909	.	.	.	.	239.65	C11H10ClNO3	46.6	300	1.4	16	0	3	2	"InChI=1S/C11H10ClNO3/c1-16-8-4-2-7(3-5-8)13-10(14)6-9(12)11(13)15/h2-5,9H,6H2,1H3"	COC1=CC=C(C=C1)N2C(=O)CC(C2=O)Cl	UKFITXSLZKBHSN-UHFFFAOYSA-N
DG50799	"4-Thiazolidinone, 3-(1-phenylethyl)-2-thioxo-"	99773	"23538-08-1; 4-Thiazolidinone, 3-(1-phenylethyl)-2-thioxo-; 3-(1-Phenylethyl)-2-thioxothiazolidin-4-one; 3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one; NSC209926; 3-(1-Phenylethyl)-2-thioxo-1,3-thiazolidin-4-one; 3-(1-Phenyl-ethyl)-2-thioxo-thiazolidin-4-one; 3-(alpha-Methylbenzyl)rhodanine; Rhodanine, 3-(alpha-methylbenzyl)-; NSC 209926; BRN 0084515; Maybridge3_004762; HMS1444I10; CCG-43543; MFCD01684698; STK092290; AKOS000313147; MCULE-6134881749; NSC-209926; IDI1_016149; UPCMLD0ENAT5772904:001; NS-03246; DS-008785; CS-0333522; 3-(1-phenylethyl)-2-thioxo-thiazolidin-4-one; 4-Thiazolidinone,3-(1-phenylethyl)-2-thioxo-; SR-01000003846; A1-03738; SR-01000003846-1; SR-01000003846-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	209926	.	.	.	.	237.3	C11H11NOS2	77.7	274	2.7	15	0	3	2	"InChI=1S/C11H11NOS2/c1-8(9-5-3-2-4-6-9)12-10(13)7-15-11(12)14/h2-6,8H,7H2,1H3"	CC(C1=CC=CC=C1)N2C(=O)CSC2=S	KQSHNYSKESUNOZ-UHFFFAOYSA-N
DG50800	Thiodemecolcine	99803	"Thiodemecolcine; 76129-11-8; MLS002703029; NSC 221662; BRN 3170982; 1,2,3-Trimethoxy-7-(methylamino)-10-(methylthio)-6,7-dihydrobenzo[a]heptalen-9(5H)-one; NSC221662; 1,2,3-trimethoxy-7-(methylamino)-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one; CHEMBL1709848; Benzo(a)heptalen-9(5H)-one, 6,7-dihydro-7-(methylamino)-10-(methylthio)-1,2,3-trimethoxy-, (S)-; SMR001566837; {Benzo[a]heptalen-9(5H)-one,} 6,7-dihydro-1,2, 3-trimethoxy-7-(methylamino)-10-(methylthio)-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	221662	.	.	.	.	387.5	C21H25NO4S	82.1	657	1.9	27	1	6	5	"InChI=1S/C21H25NO4S/c1-22-15-8-6-12-10-17(24-2)20(25-3)21(26-4)19(12)13-7-9-18(27-5)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3"	CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC	RRCKMQLZGKWNPR-UHFFFAOYSA-N
DG50801	4-Methoxydalbergione	99926	"4-Methoxydalbergione; 28396-75-0; NSC269121; NSC629750; 2-Methoxy-5-(1-phenylallyl)-4-benzoquinone; 2-Methoxy-5-(1-phenylallyl)-p-benzoquinone; NSC 269121; Spectrum_001081; SpecPlus_000079; Spectrum2_000654; Spectrum3_000201; Spectrum4_000941; Spectrum5_001903; BSPBio_001781; KBioGR_001522; KBioSS_001561; SPECTRUM201092; DivK1c_006175; SPBio_000687; CHEMBL1554531; KBio1_001119; KBio2_001561; KBio2_004129; KBio2_006697; KBio3_001281; 2-methoxy-5-(1-phenylallyl)cyclohexa-2,5-diene-1,4-dione; CCG-38560; NSC-269121; NSC-629750; SDCCGMLS-0066445.P001; NCGC00095497-01; NCGC00095497-02; NCI60_002183; 2-methoxy-5-(1-phenylallyl)-1,4-benzoquinone; SR-05000002505; SR-05000002505-1; 2-Methoxy-5-(1-phenyl-2-propenyl)benzo-1,4-quinone; 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-5-(1-phenyl-2-propenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269121	.	.	.	.	254.28	C16H14O3	43.4	451	2.7	19	0	3	4	"InChI=1S/C16H14O3/c1-3-12(11-7-5-4-6-8-11)13-9-15(18)16(19-2)10-14(13)17/h3-10,12H,1H2,2H3"	COC1=CC(=O)C(=CC1=O)C(C=C)C2=CC=CC=C2	RGSUZUQISVAJJF-UHFFFAOYSA-N
DG50802	Ansamitocin P 3	99957	"Ansamitocin P 3; Ansamitocin P-3; 66584-72-3; NSC292222; MFCD00274586; SY247349; FT-0698777; FT-0700487; 11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	292222	.	.	.	.	635.1	C32H43ClN2O9	136	1150	3.1	44	2	9	5	"InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)"	CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2)O	OPQNCARIZFLNLF-UHFFFAOYSA-N
DG50803	Horminon	99965	"TAXOQUINONE; HORMINON; 21764-41-0; NSC294577; 1,10-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione; NSC122418; 7,12-Dihydroxyabieta-8,12-diene-11,14-dione; CHEMBL1969546; DTXSID70944381; AKOS032949050; NSC-122418; NSC-294577; NCI60_002439"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294577	.	.	.	.	332.4	C20H28O4	74.6	680	3.1	24	2	4	1	"InChI=1S/C20H28O4/c1-10(2)13-16(22)14-11(21)9-12-19(3,4)7-6-8-20(12,5)15(14)18(24)17(13)23/h10-12,21-22H,6-9H2,1-5H3"	CC(C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3CC2O)(C)C)C)O	WAZYPYJGZYLHHT-UHFFFAOYSA-N
DG50804	Grossheimin	99967	"Grossheimin; NSC295425; Grosheimine; 4-hydroxy-9-methyl-3,6-dimethylideneoctahydroazuleno[4,5-b]furan-2,8(3h,4h)-dione; SCHEMBL1711493; CHEMBL1968792; DTXSID60945165; NSC-295425; NCI60_002463; 4-Hydroxy-9-methyl-3,6-dimethyleneoctahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione #; 4-.beta.-H-Guaia-10(14),11(13)-dien-12-oic acid, 6-.alpha.,8-.alpha.-dihydroxy-3-oxo-,12,6-lactone; 4-hydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno [4,5-b]furan-2,8-dione; Azuleno[4,5-b]furan-2,8(3H,4H)-dione, octahydro-4-hydroxy-9-methyl-3,6-bis(methylene)-, [3aR-(3a.alpha.,4.alpha.,6a.alpha.,9.alpha.,9a.alpha.,9b.beta.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295425	.	.	.	.	262.3	C15H18O4	63.6	492	0.8	19	1	4	0	"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3"	CC1C2C(CC1=O)C(=C)CC(C3C2OC(=O)C3=C)O	YGMIBVIKXJJQQJ-UHFFFAOYSA-N
DG50805	NSC309909	100017	"Methyl 2-[6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate; Nimbolide; 25990-37-8; NSC309909; Methyl 2-[(1R,2S,4R,6R,9R,10S,11R,15R,18R)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate; methyl 2-[6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate; MEGxp0_001495; CHEMBL1968854; SCHEMBL16561839; DTXSID20948894; NSC-309909; NCI60_002662; XN164985; FT-0672734; A934941; J-016215; Methyl [8-(furan-3-yl)-2a,5a,6a,7-tetramethyl-2,5-dioxo-2a,5a,6,6a,8,9,9a,10a,10b,10c-decahydro-2H,5H-cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-6-yl]acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	309909	.	.	.	.	466.5	C27H30O7	92	1040	2.2	34	0	7	4	"InChI=1S/C27H30O7/c1-13-15(14-7-9-32-12-14)10-16-20(13)27(4)17(11-19(29)31-5)26(3)18(28)6-8-25(2)22(26)21(23(27)33-16)34-24(25)30/h6-9,12,15-17,21-23H,10-11H2,1-5H3"	CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C6C4OC(=O)C6(C=CC5=O)C)C)CC(=O)OC)C	JZIQWNPPBKFOPT-UHFFFAOYSA-N
DG50806	9-(2-Amino-2-deoxy-d-xylofuranosyl) adenine	100053	"9-(2-Amino-2-deoxy-d-xylofuranosyl) adenine; NSC121182; MLS000737527; 4-amino-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol; JCI-2172; 9H-Purin-6-amine, 9-(2-amino-2-deoxy-.beta.-D-xylofuranosyl)-; 24807-84-9; NSC-121182; 2''-AMINO-2''-DEOXYADENOSINE; NSC106047; ADENOSINE,-2'-DEOXY; CHEMBL1373519; DTXSID70908822; HMS2270P24; NSC106048; NSC324326; (2R,3S,4R,5R)-4-amino-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol; NSC-106047; NSC-106048; NSC-324326; NCI60_000497; SMR000528550; FT-0774323; 9-(2-Amino-2-deoxypentofuranosyl)-9H-purin-6-amine; Adenine, 9-(2-amino-2-deoxy-.alpha.-D-xylofuranosyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121182	.	.	.	.	266.26	C10H14N6O3	145	334	-1.3	19	4	8	2	"InChI=1S/C10H14N6O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)"	C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)N)N	CQKMBZHLOYVGHW-UHFFFAOYSA-N
DG50807	"N-(4-formyl-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide"	100064	"4-Formylcolchicine; MLS002701815; SMR001565408; N-(4-formyl-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; NSC328403; NSC 328403; Neuro_000167; N-(4-Formyl-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide; CHEMBL18936; cid_100064; BDBM97331; (S)-N-(4-Formyl-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide; N-(4-formyl-9-keto-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; Acetamide, N-(4-formyl-5,6,7,9-tetrahydro-1,2,3,10- {tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-,} (S)-; Acetamide, N-(4-formyl-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-; N-(4-methanoyl-1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ethanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328403	.	.	.	.	427.4	C23H25NO7	100	815	0.5	31	1	7	6	"InChI=1S/C23H25NO7/c1-12(26)24-17-8-6-14-16(11-25)21(29-3)23(31-5)22(30-4)20(14)13-7-9-19(28-2)18(27)10-15(13)17/h7,9-11,17H,6,8H2,1-5H3,(H,24,26)"	CC(=O)NC1CCC2=C(C(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC)C=O	JUWAUXATKRGHCK-UHFFFAOYSA-N
DG50808	"Thymidine, 5'-((bromoacetyl)amino)-5'-deoxy-"	100092	"Thymidine, 5'-((bromoacetyl)amino)-5'-deoxy-; 50700-63-5; 5'-Bromoacetamido-5'-deoxythymidine; 5'-(Bromoacetamido)-5'-deoxythymidine; Thymidine, 5'-[(bromoacetyl)amino]-5'-deoxy-; NSC 334043; BRN 0705339; NSC334043; DTXSID70964948; NSC-334043; A828999; 1-{5-[(2-Bromo-1-hydroxyethylidene)amino]-2,5-dideoxypentofuranosyl}-4-hydroxy-5-methylpyrimidin-2(1H)-one; 2-bromo-N-[[3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]acetamide;4-(4-Methoxyphenyl)-1-butanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	334043	.	.	.	.	362.18	C12H16BrN3O5	108	495	-0.4	21	3	5	4	"InChI=1S/C12H16BrN3O5/c1-6-5-16(12(20)15-11(6)19)10-2-7(17)8(21-10)4-14-9(18)3-13/h5,7-8,10,17H,2-4H2,1H3,(H,14,18)(H,15,19,20)"	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CNC(=O)CBr)O	ADGOHIZJIRUSTK-UHFFFAOYSA-N
DG50809	Dihydrolenperone	100146	"Dihydrolenperone; Dihydro-lenperone; 38077-12-2; NSC343513; MLS003170994; CHEMBL188237; NCI-343513; RMI11974;NSC 343513; 1-Butanone, 1-(4-fluorophenyl)-4-(4-((4-fluorophenyl)hydroxymethyl)-1-piperidinyl)-; 1-(4-fluorophenyl)-4-(4-((4-fluorophenyl)(hydroxy)methyl)piperidin-1-yl)butan-1-one; 1-Butanone, 1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)hydroxymethyl]-1-piperidinyl]-; Rmi 11974; NSC 343513; BRN 1553352; 1-(4-Fluorophenyl)-4-(4-((4-fluorophenyl)(hydroxy)methyl)-1-piperidinyl)-1-butanone; 1-(4-fluorophenyl)-4-{4-[(4-fluorophenyl)(hydroxy)methyl]-1-piperidinyl}-1-butanone; 1-(4-Fluorophenyl)-4-(4-((4-fluorophenyl)hydroxymethyl)-1-piperidinyl)-1-butanone; SCHEMBL11621413; BDBM50154453; NSC-343513; 1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one; NCI60_003049; SMR001874907; Q27272983; 4-(p-Fluoro-alpha-hydroxybenzyl)-1-[3-(p-fluorobenzoyl)propyl]piperidine; 1-(4-Fluoro-phenyl)-4-{4-[(4-fluoro-phenyl)-hydroxy-methyl]-piperidin-1-yl}-butan-1-one; 1-(4-Fluorophenyl)-4-(4-[(4-fluorophenyl)(hydroxy)methyl]-1-piperidinyl)-1-butanone #; 1-(4-Fluorophenyl)-4-[4-(alpha-hydroxy-4-fluorobenzyl)piperidino]-1-butanone; 1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)-hydroxy-methyl]-1-piperidyl]butan-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	343513	.	.	.	.	373.4	C22H25F2NO2	40.5	451	3.7	27	1	5	7	"InChI=1S/C22H25F2NO2/c23-19-7-3-16(4-8-19)21(26)2-1-13-25-14-11-18(12-15-25)22(27)17-5-9-20(24)10-6-17/h3-10,18,22,27H,1-2,11-15H2"	C1CN(CCC1C(C2=CC=C(C=C2)F)O)CCCC(=O)C3=CC=C(C=C3)F	ICAYNKLSQSKOJZ-UHFFFAOYSA-N
DG50810	Cyanocycline A	100158	"Cyanocycline A; Cyanonaphthyridinomycin; NSC349644; 82423-05-0; MLS002702885; CYANO-NAPA; 16-(hydroxymethyl)-13-methoxy-12,20-dimethyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-21-carbonitrile; NSC 349644; NSC348121; (+)-Cyanocycline A; Neuro_000182; 9-(hydroxymethyl)-11-methoxy-5,12-dimethyl-10,13-dioxo-1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-5h-4,6-methanobenzo[h][1,3]oxazolo[3,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-7-carbonitrile; CYANOCYCLINE A (CHUGAI); CHEMBL1727019; DTXSID601002675; NSC-348121; NSC-349644; 4,6-Methano-5H-benz(h)oxazolo(3,2-a)pyrazino(3,2,1-de)(1,5)naphthyridine-7-carbonitrile, 1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-9-(hydroxymethyl)-11-methoxy-5,12-dimethyl-10,13-dioxo-, (3aS-(3aalpha,4alpha,4abeta,6alpha,7beta,9alpha,13bbeta,13cbeta))-; NCI60_003116; SMR001566703; 4,2-a]pyrazino-[3,2,1-de][1,5]naphthyridine-7-carbonitrile, 1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-9-(hydroxymethyl)-11-methoxy-5,12-dimethyl-10,13-dioxo-; 4,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-7-carbonitrile, 1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-9-(hydroxymethyl)-11-methoxy-5,12-dimethyl-10,13-dioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	348121	.	.	.	.	426.5	C22H26N4O5	106	1010	-0.8	31	1	9	2	"InChI=1S/C22H26N4O5/c1-9-19(28)15-14(20(29)21(9)30-3)13(8-27)26-12(7-23)11-6-10-16(24(11)2)18(26)17(15)25-4-5-31-22(10)25/h10-13,16-18,22,27H,4-6,8H2,1-3H3"	CC1=C(C(=O)C2=C(C1=O)C3C4C5C(CC(N5C)C(N4C2CO)C#N)C6N3CCO6)OC	KDWXMIJUXUSUMZ-UHFFFAOYSA-N
DG50811	"2-Ethoxy-N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide"	100171	"O-Ethylcolchifoline; NSC353494; NSC 353494; BRN 5655097; 2-Ethoxy-N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide; Acetamide, 2-ethoxy-N-(5,6,7,9-tetrahydro-9-oxo-1,2,3,10-tetramethoxybenzo(a)heptalen-7-yl)-, (S)-; 2-ethoxy-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; Acetamide, 2-ethoxy-N-(5,6,7,9-tetrahydro-1,2,3, {10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-,} (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353494	.	.	.	.	443.5	C24H29NO7	92.3	787	1.3	32	1	7	8	"InChI=1S/C24H29NO7/c1-6-32-13-21(27)25-17-9-7-14-11-20(29-3)23(30-4)24(31-5)22(14)15-8-10-19(28-2)18(26)12-16(15)17/h8,10-12,17H,6-7,9,13H2,1-5H3,(H,25,27)"	CCOCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC	RSTAAABJXUCDEQ-UHFFFAOYSA-N
DG50812	"N-(2,3-Dihydroxy-1,10-dimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide"	100173	"NSC354974; N-(2,3-Dihydroxy-1,10-dimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide; 57866-21-4; N-(2,3-dihydroxy-1,10-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; 2,3-Dimethylcolchicine; 2,3-Didemethylcolchicine; NSC-354974; NSC 354974; 2,3-Dedimethylcolchicine; 2,3-didemethyl-colchicine; CHEMBL1984076; Acetamide, N-(5,6,7,9-tetrahydro-2,3-dihydroxy-1,10-dimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-; Acetamide, N-(5,6,7,9-tetrahydro-2,3-dihydroxy-1,10-dimethyoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-; Acetamide, N-(5,6,7,9-tetrahydro-2,3-dihydroxy-1, {10-dimethoxy-9-oxobenzo[a]heptalen-7-yl)-,} (S)-; Acetamide,6,7,9-tetrahydro-2,3-dihydroxy-1,10-dimethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-; N-(2,3-Dihydroxy-1,10-dimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	354974	.	.	.	.	371.4	C20H21NO6	105	709	0.2	27	3	6	3	"InChI=1S/C20H21NO6/c1-10(22)21-14-6-4-11-8-16(24)19(25)20(27-3)18(11)12-5-7-17(26-2)15(23)9-13(12)14/h5,7-9,14,24-25H,4,6H2,1-3H3,(H,21,22)"	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)O)O	DEIXKZGDCOFYAR-UHFFFAOYSA-N
DG50813	"1,2-Didemethylcolchicine"	100174	"1,2-Didemethylcolchicine; 78231-83-1; NSC354975; Acetamide, N-(5,6,7,9-tetrahydro-1,2-dihydroxy-3,10-dimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-; CHEMBL1975605; NSC 354975; NSC-354975; Acetamide, N-(5,6,7,9-tetrahydro-1,2-dihydroxy-3,10-dimethoxy-9-oxobenzo(a)heptalen-7-yl)-,(S)-; Acetamide,6,7,9-tetrahydro-1,2-dihydroxy-3,10-dimethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-; N-(1,2-Dihydroxy-3,10-dimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	354975	.	.	.	.	371.4	C20H21NO6	105	709	0.2	27	3	6	3	"InChI=1S/C20H21NO6/c1-10(22)21-14-6-4-11-8-17(27-3)19(24)20(25)18(11)12-5-7-16(26-2)15(23)9-13(12)14/h5,7-9,14,24-25H,4,6H2,1-3H3,(H,21,22)"	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)O)O)OC	QCOIAAVYXNEUDX-UHFFFAOYSA-N
DG50814	N-(Phenoxyacetyl)deacetylcolchicine	100175	"N-(Phenoxyacetyl)deacetylcolchicine; NSC355450; 86436-45-5; Acetamide, 2-phenoxy-N-(5,6,7,9-tetrahydro-9-oxo-1,2,3,10-tetramethoxybenzo(a)heptalen-7-yl)-, (S)-; 2-phenoxy-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; NSC 355450; BRN 5670166; 2-Phenoxy-N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide; CHEMBL1973567; NSC-355450; Colchicine, N-desacetyl-N-phenyloxyacetyl-; A844323; (S)-2-PHENOXY-N-(5,7,9-TETRAHYDRO-1,2,3,10-TETRAMETHOXY-9-OXOBENZO[A]HEPTALEN-7-YL)ACETAMIDE; 2-phenoxy-N-(1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ethanamide; 2-Phenoxy-N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide #; Acetamide, 2-phenoxy-N-(5,6,7,9-tetrahydro-1,2,3, {10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-,} (S)-; Acetamide, 2-phenoxy-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355450	.	.	.	.	491.5	C28H29NO7	92.3	888	2.7	36	1	7	8	"InChI=1S/C28H29NO7/c1-32-23-13-11-19-20(15-22(23)30)21(29-25(31)16-36-18-8-6-5-7-9-18)12-10-17-14-24(33-2)27(34-3)28(35-4)26(17)19/h5-9,11,13-15,21H,10,12,16H2,1-4H3,(H,29,31)"	COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)COC4=CC=CC=C4	GQILPBLGDOWLSP-UHFFFAOYSA-N
DG50815	25-Dihydrosaframycin A	100180	"25-Dihydrosaframycin A; Saframycin A, 25-dihydro; 81382-09-4; N-[(12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl)methyl]-2-hydroxypropanamide; NSC357503; Saframycin AH1; NSC 357503; CHEMBL1999890; DTXSID301001961; NSC-357503; 92621-76-6; N-[(7-Cyano-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-1,5,6,7,9,10,13,14,14a,15-decahydro-4H-6,15-epiminoisoquinolino[3,2-b][3]benzazocin-9-yl)methyl]-2-hydroxypropanimidic acid; Propanamide, N-((7-cyano-1,5,6,7,9,10,13,14,14a,15-decahydro-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-6,15-imino-4H-isoquino(3,2-b)(3)benzazocin-9-yl)methyl)-2-hydroxy-; Propanamide,5,6,7,9,10,13,14,14a,15-decahydro-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-6,15-imino-4H-isoquino[3,2-b][3]benzazocin-9-yl)methyl]-2-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357503	.	.	.	.	564.6	C29H32N4O8	166	1490	-0.4	41	2	11	5	"InChI=1S/C29H32N4O8/c1-11-23(35)14-8-17-22-21-15(24(36)12(2)28(41-6)26(21)38)7-16(32(22)4)18(9-30)33(17)19(10-31-29(39)13(3)34)20(14)25(37)27(11)40-5/h13,16-19,22,34H,7-8,10H2,1-6H3,(H,31,39)"	CC1=C(C(=O)C2=C(C1=O)CC3C4C5=C(CC(N4C)C(N3C2CNC(=O)C(C)O)C#N)C(=O)C(=C(C5=O)OC)C)OC	CAMSTDAAQJKEMB-UHFFFAOYSA-N
DG50816	NSC376128	100208	"L-Valinamide, N,N-dimethyl-L-valyl-N-[(1S,2R)-2-methoxy-4-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(2-thiazolyl)ethyl]amino]propyl]-1-pyrrolidinyl]-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-; 110417-88-4; L-Valinamide, N,N-dimethyl-L-valyl-N-[(1S,2R)-2-methoxy-4-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(2-thiazolyl)ethyl]amino]propyl]-1-pyrrolidinyl]-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-; NSC376128; From Dolabella auricularia (sea hare); Neuro_000215; SCHEMBL13840941; FT-0699905"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	376128	.	.	.	.	785.1	C42H68N6O6S	162	1220	5.8	55	2	9	21	"InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)"	CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C	OFDNQWIFNXBECV-UHFFFAOYSA-N
DG50817	"1,4-Bis((oxiranylmethyl)amino)-9,10-anthracenedione"	100214	"78146-26-6; 1,4-Bis(opn)anthracenedione; NSC380212; 1,4-Bis((oxiranylmethyl)amino)-9,10-anthracenedione; 1,4-Bis(2,3-epoxypropylamino)-9,10-anthracenedione; CHEMBL108461; SCHEMBL3272971; ST-DAAE-1,4-(II); DTXSID40999388; NSC 380212; NSC-380212; ANTHRAQUINONE DER ST-DAAE-1,4-II; NCI60_003592; 1,4-bis-(2, 3-epoxypropylamino)-9, 10-anthracenedione; 1,4-bis-(2,3-ep-oxypropylamino)-9,10-anthracenedione; 1,4-Bis-(2,3-epoxypropylamino)-9, 10-anthracenedione; 9,10-Anthracenedione, 1,4-bis((oxiranylmethyl)amino)-; 1,4-Bis{[(oxiran-2-yl)methyl]amino}anthracene-9,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	380212	.	.	.	.	350.4	C20H18N2O4	83.3	532	3.3	26	2	6	6	"InChI=1S/C20H18N2O4/c23-19-13-3-1-2-4-14(13)20(24)18-16(22-8-12-10-26-12)6-5-15(17(18)19)21-7-11-9-25-11/h1-6,11-12,21-22H,7-10H2"	C1C(O1)CNC2=C3C(=C(C=C2)NCC4CO4)C(=O)C5=CC=CC=C5C3=O	LGYRALFKRRVBET-UHFFFAOYSA-N
DG50818	"Carbamic acid, (1-methylethyl)-, (5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl)bis(methylene) ester (9CI)"	100267	"NSC-278214; 74296-42-7; NSC278214; CHEMBL284134; Carbamic acid, (1-methylethyl)-, (5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl)bis(methylene) ester (9CI); (5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl)bis(methylene) bis(isopropylcarbamate); Carbamic acid, (1-methylethyl)-, [5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) ester; Carbamic acid, (1-methylethyl)-, (5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl)bis(methylene) ester; NCI 278214; NSC 278214; SCHEMBL8714429; DTXSID90225306; ZINC1562988; BDBM50022673; NCI60_002264; [3-(3,4-dichlorophenyl)-2-(isopropylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-isopropylcarbamate; [5-(3,4-Dichlorophenyl)-6-(([(isopropylamino)carbonyl]oxy)methyl)-2,3-dihydro-1H-pyrrolizin-7-yl]methyl isopropylcarbamate #; Isopropyl-carbamic acid 3-(3,4-dichloro-phenyl)-2-isopropylcarbamoyloxymethyl-2,5,6,7-tetrahydro-pyrrolizin-1-ylmethyl ester; Isopropyl-carbamic acid 3-(3,4-dichloro-phenyl)-2-isopropylcarbamoyloxymethyl-6,7-dihydro-5H-pyrrolizin-1-ylmethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	278214	.	.	.	.	482.4	C23H29Cl2N3O4	81.6	651	4.6	32	2	4	9	"InChI=1S/C23H29Cl2N3O4/c1-13(2)26-22(29)31-11-16-17(12-32-23(30)27-14(3)4)21(28-9-5-6-20(16)28)15-7-8-18(24)19(25)10-15/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3,(H,26,29)(H,27,30)"	CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC(=C(C=C3)Cl)Cl	CCBHSPUYWZHDFX-UHFFFAOYSA-N
DG50819	Tocladesine	100299	"Tocladesine; 8-Chloro-cAMP; 8-Cl-cAMP; 41941-56-4; 8-Chloroadenosine 3',5'-monophosphate; UNII-BQ94Z7E5OR; ICN-1256; BQ94Z7E5OR; NSC-614491; 8-Chloroadenosine-cyclic-3',5'-monophosphate dihydrate; 8-chloro-cyclic AMP; CCRIS 846; NCS 614491; 8-Chloro-cyclic adenosine monophosphate; Tocladesine [USAN:INN:BAN]; NSC-284751; ADENAZOLE; 8-Chloroadenosine 3',5'-cyclic-monophosphate; NSC614491; 8-Chloroadenosine 3',5'-cyclic phosphate; Tocladesine (USAN/INN); 8-chloroadenosine 3',5'-cyclic monophosphate; SCHEMBL125595; CHEMBL2107085; Adenosine, 8-chloro-, cyclic 3',5'-(hydrogen phosphate); ZINC4214493; CN1256; MFCD00153938; CN 1256; DB13046; NSC 614491; (4aR,6R,7R,7aS)-6-(6-amino-8-chloropurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol; D06173; W-202723; Q27274811; (4aR,6R,7R,7aS)-6-(6-amino-8-chloro-purin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol; 4H-Furo[3,2-d]-1,3,2-dioxaphosphorin-7-ol, 6-(6-amino-8-chloro-9H-purin-9-yl)tetrahydro-2-hydroxy-, 2-oxide, (4aR,6R,7R,7aS)-; 6-(6-amino-8-chloropurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614491	.	.	.	.	363.65	C10H11ClN5O6P	155	532	-1.6	23	3	10	1	"InChI=1S/C10H11ClN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)/t3-,5-,6-,9-/m1/s1"	C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3Cl)N)O)OP(=O)(O1)O	CLLFEJLEDNXZNR-UUOKFMHZSA-N
DG50820	"Ethyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate"	100323	"60263-06-1; Ethyl (1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate; ethyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate; ethyl(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate; JP-2; NSC658398; NSC289072; 2,5-Cyclohexadiene-1-acetic acid, 1-hydroxy-4-oxo-, ethyl ester; CHEMBL486395; SCHEMBL10249875; DTXSID40209015; ZINC1565179; AKOS022184842; NSC 289072; NSC-289072; NSC-658398; NCI60_020510; JACARANDA PUBERULA, PHYTOQUINOID FROM; W2137; A869019; Ethyl 1-hydroxy-4-oxo-2,5-cyclohexadien-1-acetate; 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658398	.	.	.	.	196.2	C10H12O4	63.6	285	0.6	14	1	4	4	"InChI=1S/C10H12O4/c1-2-14-9(12)7-10(13)5-3-8(11)4-6-10/h3-6,13H,2,7H2,1H3"	CCOC(=O)CC1(C=CC(=O)C=C1)O	PCTPJULDTWCNKF-UHFFFAOYSA-N
DG50821	Dienone B	100324	"Dienone B; Dibromoverongia-quinol; 17194-81-9; UNII-8V0PDK5CGM; 8V0PDK5CGM; 2-(3,5-dibromo-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide; 2,5-Cyclohexadiene-1-acetamide, 3,5-dibromo-1-hydroxy-4-oxo-; Aeroplysinin-1 dienone; VERONGIAQUINOL; NSC 289074; CHEMBL458693; DTXSID10169192; 3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-acetamide; NSC289074; 3',5'-Dibromo-1'-hydroxy-4'-oxocyclohexa-2',5'-dien-1'-yl-acetamide; NSC-289074"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	289074	.	.	.	.	324.95	C8H7Br2NO3	80.4	338	1	14	2	3	2	"InChI=1S/C8H7Br2NO3/c9-4-1-8(14,3-6(11)12)2-5(10)7(4)13/h1-2,14H,3H2,(H2,11,12)"	C1=C(C(=O)C(=CC1(CC(=O)N)O)Br)Br	OPJJYFWUWHEWDE-UHFFFAOYSA-N
DG50822	Asterriquinone	100329	"Asterriquinone; 60696-52-8; UNII-JV64RB1EJO; NSC289487; JV64RB1EJO; CHEBI:51881; 2,5-dihydroxy-3,6-bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]cyclohexa-2,5-diene-1,4-dione; NSC-289487; 2,5-bis[1-(1,1-dimethylallyl)-1H-indol-3-yl]-3,6-dihydroxy-1,4-benzoquinone; 2,5-Cyclohexadiene-1,4-dione, 2,5-bis[1-(1,1-dimethyl-2-propenyl)-1H-indol-3-yl]-3,6-dihydroxy-; 2,5-dihydroxy-3,6-bis[1-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione; 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-(1,1-dimethyl-2-propenyl)-1H-indol-3-yl)-3,6-dihydroxy-; NSC 289487; Demethylasterriquinone A1; Demethyl-asterriquinone A1; SCHEMBL847899; CHEMBL1966265; DTXSID90209505; ZINC1565315; NCI60_002372; Q27122909; 2,5-bis[1-(1,1-dimethylallyl)indol-3-yl]-3,6-dihydroxy-1,4-benzoquinone; 2,4-dione, 2,5-bis[1-(1,1-dimethyl-2-propenyl)-1H-indol-3-yl]-3,6-dihydroxy-; 2,5-Bis-[1'-(1'',1''-dimethyl-2''-propenyl)-indol-3'-yl]-3,6-dihydroxy-1,4-benzoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	289487	.	.	.	.	506.6	C32H30N2O4	84.5	1010	5.8	38	2	4	6	"InChI=1S/C32H30N2O4/c1-7-31(3,4)33-17-21(19-13-9-11-15-23(19)33)25-27(35)29(37)26(30(38)28(25)36)22-18-34(32(5,6)8-2)24-16-12-10-14-20(22)24/h7-18,35,38H,1-2H2,3-6H3"	CC(C)(C=C)N1C=C(C2=CC=CC=C21)C3=C(C(=O)C(=C(C3=O)O)C4=CN(C5=CC=CC=C54)C(C)(C)C=C)O	KMHWTYMNRHJTQG-UHFFFAOYSA-N
DG50823	Coumarin 30	100335	"Coumarin 30; 41044-12-6; 7-(diethylamino)-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-2H-chromen-2-one; 7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one; 2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-; 7-(Diethylamino)-3-(1-methyl-2-benzimidazolyl)coumarin; 3-(2-N-Methylbenzimidazolyl)-7-N,N-diethylaminocoumarin; NSC290433; 7-(Diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-2H-chromen-2-one; MLS000106045; MLS002702129; SMR000103016; 7-(DIETHYLAMINO)-3-(1-METHYL-1,3-BENZODIAZOL-2-YL)CHROMEN-2-ONE; CCRIS 4959; EINECS 255-186-8; NSC 290433; COUMARIN30; ChemDiv2_003295; Oprea1_444456; Oprea1_613472; CBDivE_006016; SCHEMBL457303; cid_100335; CHEMBL1520346; DTXSID6068272; BDBM79817; HMS1378F17; HMS2466I04; REGID_FOR_CID_100335; ZINC275242; Coumarin 30, Dye content 99 %; MFCD00051349; STK996890; 2H-1-Benzopyran-2-one,7-(diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-; AKOS000505564; CID 100335; MCULE-8578450050; NSC-290433; AS-73053; DA-06046; NCI60_002384; CS-0094875; FT-0698396; Z2623; 044C126; A914213; SR-01000389309; SR-01000389309-1; 7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)coumarin; 3-(2'-N-Methylbenzimidazolyl)-7-N,N-diethylaminocoumarin; 3-(N-methyl-benzoimidazol-2-yl)-7-(diethylamino)-coumarin; 7-(diethylamino)-3-(1-methyl-2-benzimidazolyl)-1-benzopyran-2-one; 7-(diethylamino)-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-2H-chromen-2-one; 2-Oxylato-3-(1-methyl-3-azonia-1-aza-1H-indene-2-yl)-7-(diethyliminio)-7H-1-benzopyran"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	290433	.	.	.	.	347.4	C21H21N3O2	47.4	560	4	26	0	4	4	"InChI=1S/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3"	CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3C	KZFUMWVJJNDGAU-UHFFFAOYSA-N
DG50824	"Cinnoline, 4-nitro-, 1-oxide"	100397	"13657-99-3; Cinnoline, 4-nitro-, 1-oxide; CHEMBL1983207; DTXSID30159838; ZINC1566757; NSC294846; NSC-294846; NCI60_002452"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294846	.	.	.	.	191.14	C8H5N3O3	84.2	230	0.6	14	0	4	0	InChI=1S/C8H5N3O3/c12-10-7-4-2-1-3-6(7)8(5-9-10)11(13)14/h1-5H	C1=CC=C2C(=C1)C(=CN=[N+]2[O-])[N+](=O)[O-]	HEOBQABYEWTBLN-UHFFFAOYSA-N
DG50825	"N,N-Bis(2-chloroethyl)-p-toluidine"	100400	"N,N-Bis(2-chloroethyl)-4-methylaniline; 1204-68-8; N,N-Bis(2-chloroethyl)-p-toluidine; p-Toluidine, N,N-bis(2-chloroethyl)-; p-N,N-Di(2-chloroethyl)toluidine; Benzenamine, N,N-bis(2-chloroethyl)-4-methyl-; CCRIS 2844; NSC 294980; BRN 2099441; N,N-Bis(2-chloroethyl)-4-methylbenzenamine; NSC294980; 3-12-00-02028 (Beilstein Handbook Reference); CHEMBL278918; SCHEMBL9889321; DTXSID30152849; p-Toluidine,N-bis(2-chloroethyl)-; ZINC1566827; N,N'-Bis(2-chloroethyl)-p-toluidine; NSC-294980; Benzenamine,N-bis(2-chloroethyl)-4-methyl-; Benzenamine, N,N-bis(2-chloroethyl)-4-methyl- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294980	.	.	.	.	232.15	C11H15Cl2N	3.2	138	3.3	14	0	1	5	"InChI=1S/C11H15Cl2N/c1-10-2-4-11(5-3-10)14(8-6-12)9-7-13/h2-5H,6-9H2,1H3"	CC1=CC=C(C=C1)N(CCCl)CCCl	GDPRJMAJFSDBKX-UHFFFAOYSA-N
DG50826	"2,4-Diamino-6-(5-trifluoromethylphenyl)thioquinazoline"	100475	"51123-99-0; 2,4-Diamino-6-(5-trifluoromethylphenyl)thioquinazoline; UNII-ZAL3KJ3AZC; ZAL3KJ3AZC; MLS003115820; WR 159412; WR-159412; 6-[3-(trifluoromethyl)phenyl]sulfanylquinazoline-2,4-diamine; NSC305782; 2,4-Quinazolinediamine, 6-((3-(trifluoromethyl)phenyl)thio)-; 2,4-Quinazolinediamine, 6-[[3-(trifluoromethyl)phenyl]thio]-; NCIMech_000537; NSC 305782; WR 159,412; CHEMBL268089; DTXSID00199145; 6-((3-(trifluoromethyl)phenyl)thio)quinazoline-2,4-diamine; BDBM50404678; CCG-35588; ZINC13282326; NSC-305782; NCI60_002591; SMR001831386; 2, 6-[[3-(trifluoromethyl)phenyl]thio]-; DS-003652; WR-159,412; 2,4-diamino-6-(5-trifluoromethylphenyl)-thioquinazoline; 6-((3-(Trifluoromethyl)phenyl)thio)-2,4-quinazolinediamine; 6-{[3-(trifluoromethyl)phenyl]sulfanyl}-2,4-quinazolinediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305782	.	.	.	.	336.3	C15H11F3N4S	103	409	3.8	23	2	8	2	"InChI=1S/C15H11F3N4S/c16-15(17,18)8-2-1-3-9(6-8)23-10-4-5-12-11(7-10)13(19)22-14(20)21-12/h1-7H,(H4,19,20,21,22)"	C1=CC(=CC(=C1)SC2=CC3=C(C=C2)N=C(N=C3N)N)C(F)(F)F	BFQQHTILCQZRGX-UHFFFAOYSA-N
DG50827	"4-(3,5-Dinitropyridin-2-yl)sulfanylpyrimidine"	100519	"NSC 311725; MLS003115915; 75477-69-9; CHEMBL1718995; DTXSID90226414; NSC311725; ZINC13282594; NSC-311725; SMR001831477; DS-012383; PYRIMIDINE,4-[(3,5-DINITRO-2-PYRIDINYL)THIO]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	311725	.	.	.	.	279.23	C9H5N5O4S	156	347	1.5	19	0	8	2	InChI=1S/C9H5N5O4S/c15-13(16)6-3-7(14(17)18)9(11-4-6)19-8-1-2-10-5-12-8/h1-5H	C1=CN=CN=C1SC2=C(C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-]	DLXRYNHQBUMSAE-UHFFFAOYSA-N
DG50828	"5-Nitro-2-pyrimidin-4-ylsulfanyl-1,3-thiazole"	100520	"NSC 311727; MLS000757011; 75464-90-3; SR-01000778562; SR-01000778562-2; 5-nitro-2-pyrimidin-4-ylsulfanyl-1,3-thiazole; 4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]pyrimidine; cid_100520; CHEMBL1413680; BDBM62230; DTXSID00226400; HMS2784A18; ZINC1570386; NSC311727; 5-nitro-2-(4-pyrimidylthio)thiazole; 5-nitro-2-(4-pyrimidinylthio)thiazole; NSC-311727; NCGC00246962-01; SMR000449888; DS-014691; SR-01000778562-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	311727	.	.	.	.	240.3	C7H4N4O2S2	138	238	2.1	15	0	7	2	InChI=1S/C7H4N4O2S2/c12-11(13)6-3-9-7(15-6)14-5-1-2-8-4-10-5/h1-4H	C1=CN=CN=C1SC2=NC=C(S2)[N+](=O)[O-]	SPNKLYOUOJJHBK-UHFFFAOYSA-N
DG50829	"Naphtho(2,1-b)furan, 4-methoxy-2-nitro-"	100603	"NSC329226; 75965-72-9; Naphtho(2,1-b)furan, 4-methoxy-2-nitro-; 4-Methoxy-2-nitronaphtho(2,1-b)furan; NSC-329226; 4-methoxy-2-nitronaphtho[2,1-b]furan; Naphtho[2,1-b]furan, 4-methoxy-2-nitro-; NSC 329226; 2-Nitro-4-methoxynaphtho(2,1-b)furan; Compound D15; NCIStruc1_000743; NCIStruc2_000701; CHEMBL7644; SCHEMBL8738468; BDBM22594; DTXSID60226860; ZINC1574602; CCG-37851; NCGC00014767; NCI329226; 4-methoxy-2-nitro-benzo[e]benzofuran; NCGC00014767-02; NCGC00097868-01; NCI60_002871; hydroxy(4-methoxynaphtho[2,1-b]furan-2-yl)azane oxide; 7-methoxy-4-nitro-5-oxatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),3,7,9,11-hexaene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329226	.	.	.	.	243.21	C13H9NO4	68.2	329	3.7	18	0	4	1	"InChI=1S/C13H9NO4/c1-17-11-6-8-4-2-3-5-9(8)10-7-12(14(15)16)18-13(10)11/h2-7H,1H3"	COC1=CC2=CC=CC=C2C3=C1OC(=C3)[N+](=O)[O-]	FJXJAAFKONAPKR-UHFFFAOYSA-N
DG50830	Hepsulfam	100606	"Hepsulfam; 96892-57-8; 1,7-Heptanediol disulfamate; 7-sulfamoyloxyheptyl sulfamate; Sulfamic acid, 1,7-heptanediyl ester; Sulfamic acid 7-sulfamoyloxy-heptyl ester; UNII-971DU2GQ51; CHEMBL182440; heptane-1,7-diyl bis(sulfamate); 971DU2GQ51; NSC329680; NCI 329680;ZINC01574758; NSC 329680; sulfamic acid 1,7-heptanediyl ester; NSC-329680; 1,7-Heptanediol bissulfamate; SCHEMBL5409150; DTXSID90242619; ZINC1574758; BDBM50154471; HY-U00095; ZINC01574758; CS-7131; NCI 329680; SULFAMIC ACID,7-HEPTANEDIYL ESTER; NCI60_002882"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329680	.	.	.	.	290.4	C7H18N2O6S2	156	342	-0.3	17	2	8	10	"InChI=1S/C7H18N2O6S2/c8-16(10,11)14-6-4-2-1-3-5-7-15-17(9,12)13/h1-7H2,(H2,8,10,11)(H2,9,12,13)"	C(CCCOS(=O)(=O)N)CCCOS(=O)(=O)N	GOJJWDOZNKBUSR-UHFFFAOYSA-N
DG50831	Violaceol i	100615	"violaceol i; ETHERICIN A; 68027-81-6; aspermutarubrol; violaceol-I; violacerol-I; 3-(2,3-dihydroxy-5-methylphenoxy)-5-methylbenzene-1,2-diol; CHEBI:64415; 3,3'-oxybis(5-methylbenzene-1,2-diol); NSC330927; 3,3'-Oxybis(5-methyl-1,2-benzenediol); 1,2-Benzenediol, 3,3'-oxybis(5-methyl-; MEGxm0_000129; CHEMBL2000711; ACon0_000595; ACon1_000731; DTXSID10218215; ZINC1574902; MCULE-5448702006; NSC 330927; NSC-330927; NCGC00169413-01; NCI60_002901; Q27133271"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	330927	.	.	.	.	262.26	C14H14O5	90.2	270	2.8	19	4	5	2	"InChI=1S/C14H14O5/c1-7-3-9(15)13(17)11(5-7)19-12-6-8(2)4-10(16)14(12)18/h3-6,15-18H,1-2H3"	CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2O)O)C)O)O	YRZXKRQRZJMBFT-UHFFFAOYSA-N
DG50832	9-Phenoxyacridine	100640	"9-phenoxyacridine; Acridine, 9-phenoxy-; 2148-14-3; MLS000758527; NSC337974; 9-(phenoxy)acridine; BIDD:GT0441; SCHEMBL455804; CHEMBL1569496; DTXSID80175760; HMS2799K18; ZINC3953394; AKOS017345236; NSC 337974; NSC-337974; NCGC00246963-01; SMR000449990"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	337974	.	.	.	.	271.3	C19H13NO	22.1	317	5.1	21	0	2	2	InChI=1S/C19H13NO/c1-2-8-14(9-3-1)21-19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-13H	C1=CC=C(C=C1)OC2=C3C=CC=CC3=NC4=CC=CC=C42	MFCLDPQGJMEEBE-UHFFFAOYSA-N
DG50833	Clomesone	100651	"Clomesone; 88343-72-0; Chlorethyl SOSO; 2-chloroethyl methanesulfonylmethanesulfonate; 2-Chloroethyl (methylsulfonyl)methanesulfonate; 2-chloroethyl methylsulfonylmethanesulfonate; SRI 6155; UNII-2J031W0YZI; NSC 338947; Methanesulfonic acid, (methylsulfonyl)-, 2-chloroethyl ester; (Methylsulfonyl)methanesulfonic acid 2-chloroethyl ester; 2J031W0YZI; Methanesulfonic acid, 1-(methylsulfonyl)-, 2-chloroethyl ester; NSC338947; BRN 3606917; NSC-338947; CHEMBL290487; SCHEMBL6461384; DTXSID10236979; ZINC1578321; NCI60_002990; 2-chloro (methylsulfonyl) methanesulfonate; DB-093750; Q27254805; Z2306534522"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338947	.	.	.	.	236.7	C4H9ClO5S2	94.3	304	-0.3	12	0	5	5	"InChI=1S/C4H9ClO5S2/c1-11(6,7)4-12(8,9)10-3-2-5/h2-4H2,1H3"	CS(=O)(=O)CS(=O)(=O)OCCCl	SEHSPJCWCBQHPF-UHFFFAOYSA-N
DG50834	"2-Naphthalenecarboxylic acid, 4-[[2-chloro-5-(trifluoromethyl)phenyl]azo]-3-hydroxy-"	100655	"52238-94-5; 2-Naphthalenecarboxylic acid, 4-[[2-chloro-5-(trifluoromethyl)phenyl]azo]-3-hydroxy-; 4-[[2-Chloro-5-(trifluoromethyl)phenyl]azo]-3-hydroxy-2-naphthoic acid; UNII-RI0VDF86W6; RI0VDF86W6; 4-[[2-chloro-5-(trifluoromethyl)phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid; 2-Naphthalenecarboxylic acid, 4-((2-chloro-5-(trifluoromethyl)phenyl)azo)-3-hydroxy-; 2-Naphthalenecarboxylic acid, 4-(2-(2-chloro-5-(trifluoromethyl)phenyl)diazenyl)-3-hydroxy-; 4-((2-Chloro-5-(trifluoromethyl)phenyl)azo)-3-hydroxy-2-naphthalenecarboxylic acid; 4-[(E)-[2-chloro-5-(trifluoromethyl)phenyl]azo]-3-hydroxy-naphthalene-2-carboxylic acid; 4-[[2-Chloro-5-(trifluoromethyl)phenyl]azo]-3-hydroxy-2-naphthalenecarboxylic acid; 4-((2-Chloro-5-(trifluoromethyl)phenyl)azo)-3-hydroxy-2-naphthoic acid; 2-Naphthalenecarboxylic acid, 4-[2-[2-chloro-5-(trifluoromethyl)phenyl]diazenyl]-3-hydroxy-; EINECS 257-777-6; NSC339616; NSC 339616; CHEMBL1991337; CHEMBL4250125; DTXSID1068724; ZINC4776848; ZINC17129162; AKOS017344941; MCULE-5491651474; NSC-339616; NCI60_003013; W-111039; 4-(2-(2-Chloro-5-(trifluoromethyl)phenyl)diazenyl)-3-hydroxy-2-naphthalenecarboxylic acid; 4-{(E)-[2-chloro-5-(trifluoromethyl)phenyl]diazenyl}-3-hydroxy-2-naphthoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339616	.	.	.	.	394.7	C18H10ClF3N2O3	82.2	575	6.2	27	2	8	3	"InChI=1S/C18H10ClF3N2O3/c19-13-6-5-10(18(20,21)22)8-14(13)23-24-15-11-4-2-1-3-9(11)7-12(16(15)25)17(26)27/h1-8,25H,(H,26,27)"	C1=CC=C2C(=C1)C=C(C(=C2N=NC3=C(C=CC(=C3)C(F)(F)F)Cl)O)C(=O)O	LFUPHTJXWMRCJO-UHFFFAOYSA-N
DG50835	Selenazofurin	100665	"Selenazofurin; 83705-13-9; 4-Selenazolecarboxamide, 2-beta-D-ribofuranosyl-; UNII-I5R2V02E8Z; CI-935; 2-beta-D-Ribofuranosyl-4-selenazolecarboxamide; I5R2V02E8Z; 2-beta-D-Ribofuranosylselenazole-4-Carboxamide; NSC 340847; BRN 4198668; NSC340847; NSC-340847; SCHEMBL3051767; CHEMBL3144001; DTXSID80232569; 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-selenazole-4-carboxamide; PD-111232; Q27280480; 2-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-selenazole-4-carboxylic acid amide; 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3-selenazole-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	340847	.	.	.	.	307.17	C9H12N2O5Se	126	305	.	17	4	6	3	"InChI=1S/C9H12N2O5Se/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1"	C1=C(N=C([Se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N	CKMBACZHCFMPLQ-DBRKOABJSA-N
DG50836	"Carbamic acid, (5-amino-3-(2,4-dichlorophenyl)-1,2-dihydropyrido(3,4-b)pyrazin-7-yl)-, ethyl ester"	100668	"NSC341931; 82585-97-5; Carbamic acid, (5-amino-3-(2,4-dichlorophenyl)-1,2-dihydropyrido(3,4-b)pyrazin-7-yl)-, ethyl ester; CHEMBL9699; SCHEMBL11006975; DTXSID80231895; ZINC18189527; NSC 341931; NSC-341931; Ethyl (5-amino-3-(2,4-dichlorophenyl)-1,2-dihydropyrido(3,4-b)pyrazin-7-yl)carbamate; ethyl N-[5-amino-3-(2,4-dichlorophenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate; NCI60_003031; (5-AMINO-3-(2,2-DIHYDRIPYRIDO[3,4-B]PYRAZIN-7-YL)CARBAMIC ACID, ETHYL ESTER; Carbamic acid,4-dichlorophenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-, ethyl ester; N-[5-Amino-3-(2,4-dichlorophenyl)(1,2-dihydropyridino[5,4-b]pyrazin-7-yl)]ethoxycarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	341931	.	.	.	.	380.2	C16H15Cl2N5O2	102	521	3.2	25	3	6	4	"InChI=1S/C16H15Cl2N5O2/c1-2-25-16(24)23-13-6-11-14(15(19)22-13)21-12(7-20-11)9-4-3-8(17)5-10(9)18/h3-6,20H,2,7H2,1H3,(H3,19,22,23,24)"	CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=C(C=C(C=C3)Cl)Cl)N	CPDQUPLLEBTHKX-UHFFFAOYSA-N
DG50837	"Carbamic acid, (5-amino-3-phenyl-2H-pyrido(4,3-b)-1,4-oxazin-7-yl)-, ethyl ester"	100678	"87607-29-2; NSC344270; MLS000756883; Carbamic acid, (5-amino-3-phenyl-2H-pyrido(4,3-b)-1,4-oxazin-7-yl)-, ethyl ester; Carbamic acid, (5-amino-3-phenyl-2H-pyrido[4,5-b]-1,4-oxazin-7-yl)-, ethyl ester; Carbamic acid, (5-amino-3-phenyl-2H-pyrido[4,3-b]-1,4-oxazin-7-yl)-, ethyl ester; NSC 344270; CHEMBL42209; SCHEMBL13327931; DTXSID20236521; ZINC5114817; Ethyl (5-amino-3-phenyl-2H-pyrido(4,3-b)-1,4-oxazin-7-yl)carbamate; ethyl N-(5-amino-3-phenyl-2H-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate; NSC-344270; SMR000528978; DS-007386; Carbamic acid,3-b]-1,4-oxazin-7-yl)-, ethyl ester; Carbamic acid,5-b]-1,4-oxazin-7-yl)-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	344270	.	.	.	.	312.32	C16H16N4O3	98.8	451	2	23	2	6	4	"InChI=1S/C16H16N4O3/c1-2-22-16(21)20-13-8-12-14(15(17)19-13)18-11(9-23-12)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H3,17,19,20,21)"	CCOC(=O)NC1=NC(=C2C(=C1)OCC(=N2)C3=CC=CC=C3)N	QRMBOSPEQFQJFS-UHFFFAOYSA-N
DG50838	"4-Pyridazinecarbonitrile, 5,6-bis(4-chlorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-"	100710	"MLS002701842; 75644-05-2; 4-Pyridazinecarbonitrile, 5,6-bis(4-chlorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-; NSC351478; CHEMBL31742; SCHEMBL10976097; DTXSID40226565; ZINC1581928; NSC 351478; NSC-351478; NCI60_003139; SMR001565434; 4-Pyridazinecarbonitrile,6-bis(4-chlorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	351478	.	.	.	.	386.2	C19H13Cl2N3O2	76.7	651	3.6	26	1	4	4	"InChI=1S/C19H13Cl2N3O2/c20-14-5-1-12(2-6-14)17-16(11-22)19(26)24(9-10-25)23-18(17)13-3-7-15(21)8-4-13/h1-8,25H,9-10H2"	C1=CC(=CC=C1C2=C(C(=O)N(N=C2C3=CC=C(C=C3)Cl)CCO)C#N)Cl	XYKMDIKOEHWYBP-UHFFFAOYSA-N
DG50839	"1-(4-Diethylaminobenzyl)-4-n-hexyl-2,3-dioxopiperazine"	100732	"78201-80-6; NSC355639; UNII-8XC2K63IJD; 8XC2K63IJD; 1-(4-Diethylaminobenzyl)-4-n-hexyl-2,3-dioxopiperazine; 1-(4-(Diethylamino)benzyl)-4-hexyl-2,3-piperazinedione; 1-[4-(Diethylamino)benzyl]-4-hexyl-2,3-piperazinedione; NSC 355639; BRN 5766636; 1-(p-(Diethylamino)benzyl)-4-hexyl-2,3-piperazinedione; 2,3-Piperazinedione, 1-(p-(diethylamino)benzyl)-4-hexyl-; 1-((4-(Diethylamino)phenyl)methyl)-4-hexyl-2,3-piperazinedione; DTXSID20228840; ZINC5138847; 2,3-Piperazinedione, 1-((4-(diethylamino)phenyl)methyl)-4-hexyl-; NSC-355639; 1-[[4-(diethylamino)phenyl]methyl]-4-hexyl-piperazine-2,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355639	.	.	.	.	359.5	C21H33N3O2	43.9	443	4.1	26	0	3	10	"InChI=1S/C21H33N3O2/c1-4-7-8-9-14-23-15-16-24(21(26)20(23)25)17-18-10-12-19(13-11-18)22(5-2)6-3/h10-13H,4-9,14-17H2,1-3H3"	CCCCCCN1CCN(C(=O)C1=O)CC2=CC=C(C=C2)N(CC)CC	CGAMLDQVUWMUSB-UHFFFAOYSA-N
DG50840	"Butanedioic acid, mono(2-(3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1(6H)-pyridazinyl)ethyl) ester"	100760	"NSC362453; MLS002701859; 82232-19-7; Butanedioic acid, mono(2-(3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1(6H)-pyridazinyl)ethyl) ester; Butanedioic acid, mono[2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1(6H)-pyridazinyl]ethyl] ester; NSC 362453; Neuro_000199; CHEMBL1898656; DTXSID10231646; ZINC1585095; NSC-362453; Mono(2-(3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1(6H)-pyridazinyl)ethyl) butanedioate; NCI60_003311; SMR001565451; 4-[2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-pyridazin-1-yl]ethoxy]-4-oxo-butanoic acid; Butanedioic acid,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1(6H)-pyridazinyl]ethyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	362453	.	.	.	.	486.3	C23H17Cl2N3O5	120	878	3.6	33	1	7	9	"InChI=1S/C23H17Cl2N3O5/c24-16-5-1-14(2-6-16)21-18(13-26)23(32)28(11-12-33-20(31)10-9-19(29)30)27-22(21)15-3-7-17(25)8-4-15/h1-8H,9-12H2,(H,29,30)"	C1=CC(=CC=C1C2=C(C(=O)N(N=C2C3=CC=C(C=C3)Cl)CCOC(=O)CCC(=O)O)C#N)Cl	AKJTWZYTVPZSDW-UHFFFAOYSA-N
DG50841	"4-Pyridazinecarbonitrile, 5,6-bis(4-fluorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-"	100761	"75643-56-0; 79580-64-6; 4-Pyridazinecarbonitrile, 5,6-bis(4-fluorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-; UNII-JU6MSZ5XA8; NSC362454; JU6MSZ5XA8; 5,6-Bis(4-fluorophenyl)-2-(2-hydroxyethyl)-3-oxo-2,3-dihydro-4-pyridazinecarbonitrile; MLS002701860; 5,6-bis(4-fluorophenyl)-2-(2-hydroxyethyl)-3-oxopyridazine-4-carbonitrile; 5,6-Bis(4-fluorophenyl)-2-(2-hydroxyethyl)-3-oxo-2,3-dihydropyridazine-4-carbonitrile; NSC 362454; Neuro_000200; CHEMBL287584; DTXSID40226560; ZINC1585096; AKOS030255011; NSC-362454; NCI60_003312; SMR001565452; DS-005507; 3-Deoxy-D-arabino-hexonic Acid Calcium Salt; 4-Pyridazinecarbonitrile, 5,6-bis(4-fluorophenyl)-2, 3-dihydro-2-(2-hydroxyethyl)-3-oxo-; 4-Pyridazinecarbonitrile,6-bis(4-fluorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-; 5,6-bis(4-fluorophenyl)-2-(2-hydroxyethyl)-3-oxo-pyridazine-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	362454	.	.	.	.	353.3	C19H13F2N3O2	76.7	651	2.5	26	1	6	4	"InChI=1S/C19H13F2N3O2/c20-14-5-1-12(2-6-14)17-16(11-22)19(26)24(9-10-25)23-18(17)13-3-7-15(21)8-4-13/h1-8,25H,9-10H2"	C1=CC(=CC=C1C2=C(C(=O)N(N=C2C3=CC=C(C=C3)F)CCO)C#N)F	ZTJLBJCCZJQZSD-UHFFFAOYSA-N
DG50842	"Pyrazine, 2,2'-(o-chlorobenzylidenediimino)di-"	100764	"NSC362868; 93371-94-9; Pyrazine, 2,2'-(o-chlorobenzylidenediimino)di-; NSC-362868; NSC 362868; Methanediamine, 1-(2-chlorophenyl)-N,N'-dipyrazinyl-; 2,2'-(o-Chlorobenzylidenediimino)dipyrazine; 1-(o-Chlorophenyl)-N,N'-di-(2-pyrazinyl)methylenediamine; NCIStruc1_001837; NCIStruc2_001985; Methanediamine,N'-dipyrazinyl-; CHEMBL1371917; DTXSID80239396; ZINC1585160; CCG-37024; NCGC00014828; NCI362868; NCGC00014828-02; NCGC00097929-01; NCI60_003317; DS-007963; (2-chlorophenyl)-N,N-di(2-pyrazinyl)methanediamine; 1-(2-Chlorophenyl)-n,n-dipyrazin-2-yl-methanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	362868	.	.	.	.	312.76	C15H13ClN6	75.6	311	2.2	22	2	6	5	"InChI=1S/C15H13ClN6/c16-12-4-2-1-3-11(12)15(21-13-9-17-5-7-19-13)22-14-10-18-6-8-20-14/h1-10,15H,(H,19,21)(H,20,22)"	C1=CC=C(C(=C1)C(NC2=NC=CN=C2)NC3=NC=CN=C3)Cl	COJBKZKCFNWXGE-UHFFFAOYSA-N
DG50843	"Pyridino(1,2-a)imidazo(5,4-b)indole"	100767	"60067-39-2; NSC363438; Pyridino(1,2-a)imidazo(5,4-b)indole; NSC639381; 1,2-Piid; 5H-Pyrido(2',1':2,3)imidazo(4,5-b)indole; CHEMBL1983842; SCHEMBL10349259; DTXSID70208793; ZINC5117514; NSC 363438; NSC-363438; NCI60_003327; NCI60_013032; 5H-4a,5,10-Triaza-indeno[2,1-a]indene; 5H-Pyrido[2',1':2,3]imidazo[4,5-b]indole hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	363438	.	.	.	.	207.23	C13H9N3	33.1	280	3.6	16	1	1	0	"InChI=1S/C13H9N3/c1-2-6-10-9(5-1)12-13(14-10)16-8-4-3-7-11(16)15-12/h1-8,14H"	C1=CC=C2C(=C1)C3=C(N2)N4C=CC=CC4=N3	PFKQNBQQGPVKNR-UHFFFAOYSA-N
DG50844	Sarmustine	100773	"Sarmustine; Sarcnu; 81965-43-7; 2-Chloroethyl-3-sarcosinamide-1-nitrosourea; Sarcosinamide chloroethylnitrosourea; UNII-BHB013S3MO; 1-(Carbamoylmethyl)-3-(2-chloroethyl)-1-methyl-3-nitrosourea; NSC-364432; BHB013S3MO; NSC 364432; SarCNU; Sarcosinamide chloroethylnitrosourea; Sarcosinamide chloroethyl nitrosourea; NSC 364432; CCRIS 9380; Sar CNU; 2-[[2-chloroethyl(nitroso)carbamoyl]-methylamino]acetamide; Urea, 1-(carbamoylmethyl)-3-(2-chloroethyl)-1-methyl-3-nitroso-; CHEMBL166937; SCHEMBL11056837; DTXSID90231487; ZINC3811824; NSC364432; DB11688; NCI60_003356; Q27274664; 2-[{[(2-chloroethyl)(nitroso)amino]carbonyl}(methyl)amino]acetamide; Acetamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)methylamino)-; Acetamide, 2-[[[(2-chloroethyl)nitrosoamino]carbonyl] methylamino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	364432	.	.	.	.	222.63	C6H11ClN4O3	96.1	235	-1	14	1	4	4	"InChI=1S/C6H11ClN4O3/c1-10(4-5(8)12)6(13)11(9-14)3-2-7/h2-4H2,1H3,(H2,8,12)"	CN(CC(=O)N)C(=O)N(CCCl)N=O	HYHJFNXFVPGMBI-UHFFFAOYSA-N
DG50845	"2H-Pyrano[3,2-g]quinolin-2-one, 6,7,8,9-tetrahydro-4-(trifluoromethyl)-"	100790	"Coumarin 340; 53518-16-4; 2H-Pyrano[3,2-g]quinolin-2-one, 6,7,8,9-tetrahydro-4-(trifluoromethyl)-; NSC369289; 4-(trifluoromethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one; CHEMBL268098; 4-Trifluoromethyl-5,6,7,8-tetrahydro-1-oxa-8-aza-anthracen-2-one; 2H-Pyrano(3,2-g)quinolin-2-one, 6,7,8,9-tetrahydro-4-(trifluoromethyl)-; NSC 369289; 4-(Trifluoromethyl)-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinolin-2-one; C-4F; DTXSID5068863; ZINC1587098; BDBM50076697; NSC-369289; NCI60_003396"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	369289	.	.	.	.	269.22	C13H10F3NO2	38.3	419	2.7	19	1	6	0	"InChI=1S/C13H10F3NO2/c14-13(15,16)9-5-12(18)19-11-6-10-7(4-8(9)11)2-1-3-17-10/h4-6,17H,1-3H2"	C1CC2=CC3=C(C=C2NC1)OC(=O)C=C3C(F)(F)F	XJDJBMLMMBPNGL-UHFFFAOYSA-N
DG50846	Magon	100814	"523-67-1; Magon; 2-[2-Hydroxy-3-(2,4-xylylcarbamoyl)-1-naphthylazo]phenol; Xylidyl blue II; Xylylazo Violet II; NSC374898; N-(2,4-dimethylphenyl)-3-hydroxy-4-[(2-hydroxyphenyl)diazenyl]naphthalene-2-carboxamide; Xylylazo Violet II [Spectrophotometric reagent for Mg]; (E)-N-(2,4-dimethylphenyl)-3-hydroxy-4-((2-hydroxyphenyl)diazenyl)-2-naphthamide; 1-Azo-2-hydroxy-3-(2,4-dimethylcarboxyanilido)naphthalene-1-(2-hydroxybenzene); EINECS 208-347-1; NCIMech_000575; CHEMBL2002567; SCHEMBL10882146; SCHEMBL21082741; SCHEMBL23257722; CCG-35568; CCG-35572; MFCD00014309; ZINC17142480; 3-Hydroxy-4-((2-hydroxyphenyl)azo)-N-(2,4-xylyl)naphthalene-2-carboxamide; AKOS003615262; ZINC100080130; ZINC100250858; ZINC100796702; ZINC254624545; MCULE-5910568743; NSC 374898; NSC-374898; LS-15094; NCI60_003508; DB-020286; FT-0632285; T71000; A829048; Xylidyl Blue II, 95%, Spectrophotometric reagent for Mg; 2-[2-Hydroxy-3-(2,4-xylylcarbamoyl)-1-naphthylazo] phenol; 1099088-22-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	374898	.	.	.	.	411.5	C25H21N3O3	94.3	642	6.4	31	3	5	4	"InChI=1S/C25H21N3O3/c1-15-11-12-20(16(2)13-15)26-25(31)19-14-17-7-3-4-8-18(17)23(24(19)30)28-27-21-9-5-6-10-22(21)29/h3-14,29-30H,1-2H3,(H,26,31)"	CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=CC=C4O)C	JSSROCUNTZVPCI-UHFFFAOYSA-N
DG50847	"1,5-dihydroxy-2,2,5,7-tetramethylspiro[1H-indene-6,1'-cyclopropane]-4-one"	101108	"1,5-dihydroxy-2,2,5,7-tetramethylspiro[1H-indene-6,1'-cyclopropane]-4-one; NSC626370; Neuro_000257; Spiro[cyclopropane-1, 2',3'-dihydro-3',6'-dihydroxy-2',2',4',6'-tetramethyl-,(3'S,6'R)-; Spiro[cyclopropane-1, 2',3'-dihydro-3',6'-dihydroxy-2',2',4',6'-tetramethyl-,(3'S-trans)-; Spiro[cyclopropane-1, 2',3'-dihydro-3'.beta.,6'.alpha.-dihydroxy- 2',2',4',6'-tetramethyl-; NSC-626370; NCI60_008312; 1,5-dihydroxy-2,2,5,7-tetramethyl-spiro[1H-indene-6,1'-cyclopropane]-4-one; 3',6'-dihydroxy-2',2',4',6'-tetramethyl-2',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'(6'H)-one; Spiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one, 2',3'-dihydro-3',6'-dihydroxy-2',2',4',6'-tetramethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626370	.	.	.	.	248.32	C15H20O3	57.5	520	0.8	18	2	3	0	"InChI=1S/C15H20O3/c1-8-10-9(7-13(2,3)12(10)17)11(16)14(4,18)15(8)5-6-15/h7,12,17-18H,5-6H2,1-4H3"	CC1=C2C(C(C=C2C(=O)C(C13CC3)(C)O)(C)C)O	QVMDIQLUNODCTG-UHFFFAOYSA-N
DG50848	"1,5-dihydroxy-2-(hydroxymethyl)-2,5,7-trimethylspiro[1H-indene-6,1'-cyclopropane]-4-one"	101109	"NSC626369; 1,5-dihydroxy-2-(hydroxymethyl)-2,5,7-trimethylspiro[1H-indene-6,1'-cyclopropane]-4-one; Neuro_000256; NSC-626369; NCI60_008311; 1,5-dihydroxy-2-(hydroxymethyl)-2,5,7-trimethyl-spiro[1H-indene-6,1'-cyclopropane]-4-one; Spiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one, 2',3'-dihydro-3',6'-dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626369	.	.	.	.	264.32	C15H20O4	77.8	540	0.1	19	3	4	1	"InChI=1S/C15H20O4/c1-8-10-9(6-13(2,7-16)12(10)18)11(17)14(3,19)15(8)4-5-15/h6,12,16,18-19H,4-5,7H2,1-3H3"	CC1=C2C(C(C=C2C(=O)C(C13CC3)(C)O)(C)CO)O	DDLLIYKVDWPHJI-UHFFFAOYSA-N
DG50849	4-Fluoro-DL-tryptophan	101198	"4-Fluoro-DL-tryptophan; 25631-05-4; 2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid; 4-Fluorotryptophan; Tryptophan, 4-fluoro-; 4-Fluoro-D,L-tryptophan; 25631-17-8; NSC-529108; DL-4-FLUOROTRYPTOPHAN; NSC 529108; H-Trp(4-F)-OH; SCHEMBL1727642; CHEMBL4078473; SCHEMBL18029333; DTXSID30275961; 4-Fluoro-DL-tryptophan, crystalline; 5615AH; MFCD00039689; NSC529108; AKOS022929311; FS-6606; DB-046742; CS-0186533; FT-0618531; Dl-2-amino-3-(4-fluoroindolyl)propionic acid; A50405; F-6800; A817932"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	529108	.	.	.	.	222.22	C11H11FN2O2	79.1	275	-1.1	16	3	4	3	"InChI=1S/C11H11FN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)"	C1=CC2=C(C(=C1)F)C(=CN2)CC(C(=O)O)N	DEBQMEYEKKWIKC-UHFFFAOYSA-N
DG50850	Chimaphilin	101211	"Chimaphilin; 482-70-2; 2,7-Dimethyl-1,4-naphthoquinone; 2,7-dimethylnaphthalene-1,4-dione; Chimaphylin; Chimaphilin (6CI); UNII-U8Z086618U; 1, 2,7-dimethyl-; CHEBI:3595; U8Z086618U; AC1L2QCI; NSC 400245; CHEMBL495277; SCHEMBL3141540; DTXSID80197462; ZINC899240; NSC400245; AKOS006271751; NSC-400245; NCI60_003733; 1,4-Naphthoquinone, 2,7-dimethyl- (8CI); FT-0686583; [(1-isobutylpiperidin-4-yl)methyl]methylamine; 1,4-Naphthalenedione, 2,7-dimethyl- (9CI); 2,7-dimethyl-1,4-dihydronaphthalene-1,4-dione; 482C702; Q27106145"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400245	.	.	.	.	186.21	C12H10O2	34.1	314	2.6	14	0	2	0	"InChI=1S/C12H10O2/c1-7-3-4-9-10(5-7)12(14)8(2)6-11(9)13/h3-6H,1-2H3"	CC1=CC2=C(C=C1)C(=O)C=C(C2=O)C	YZACZIYTZCJVSN-UHFFFAOYSA-N
DG50851	2'-Deoxy-2'-fluorocytidine	101507	"2'-Deoxy-2'-fluorocytidine; 10212-20-1; 2'-Fluoro-2'-deoxycytidine; Cytidine, 2'-deoxy-2'-fluoro-; 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; 2-Deoxy-2-fluorocytidine; UNII-LCY080JPY9; LCY080JPY9; MFCD00057445; 2'-Deoxy-2'-fluoro Cytidine; NSC529432; FDC; NSC 529432; 2'deoxy-2'-fluorocytidine; SCHEMBL233120; CHEMBL374528; 2\\'-Deoxy-2\\'-fluorocytidine; 2'-deoxy-2'-(R)-fluoro-cytidine; ZINC3817231; HG1103; AKOS015854842; AKOS015896915; .beta.-D-2'-Deoxy-2'-fluorocytidine; ACN-055192; HY-W012009; NCGC00370855-01; 4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one; AS-59691; 212D201; Q27282917; 3-[(2R,3R,4R,5R)-3-Fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-amino-3-hydropyrimidin-2-one; 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one; 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	529432	.	.	.	.	245.21	C9H12FN3O4	108	386	-1.1	17	3	5	2	"InChI=1S/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1"	C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)F	NVZFZMCNALTPBY-XVFCMESISA-N
DG50852	6-alpha-Fluoro-isoflupredone	101859	"6-alpha-Fluoro-isoflupredone; 806-29-1; NSC77021; (6S,8S,9R,10S,11S,13S,14S,17R)-6,9-Difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one; (6S,8S,9R,10S,11S,13S,14S,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; 6alpha,9alpha-difluoroprednisolone; 6alpha,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione; MLS002701913; EINECS 212-360-8; NSC 77021; 6a-Fluoro-isoflupredone; 6--Fluoro-isoflupredone; SCHEMBL3765700; CHEMBL1967506; 6.alpha.,9-Difluoroprednisolone; ZINC4887575; NSC-77021; 6; A,9; A-difluoro-11; A,17; A,21-tribydroxy-1,4-pregnadiene-3,20-dione; AKOS025402049; AC-3529; C21H26F205; 6.alpha.,9.alpha.-Difluoroprednisolone; AS-59362; NCI60_041694; CS-0199244; X1063; 806F291; A854253; Q-101390; Pregna-1,20-dione, 6.alpha.,9-difluoro-11.beta.,17,21-trihydroxy-; Pregna-1,20-dione, 6,9-difluoro-11,17,21-trihydroxy-, (6.alpha.,11.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	77021	.	.	.	.	396.4	C21H26F2O5	94.8	809	1.4	28	3	7	2	"InChI=1S/C21H26F2O5/c1-18-5-3-11(25)7-14(18)15(22)8-13-12-4-6-20(28,17(27)10-24)19(12,2)9-16(26)21(13,18)23/h3,5,7,12-13,15-16,24,26,28H,4,6,8-10H2,1-2H3/t12-,13-,15-,16-,18-,19-,20-,21-/m0/s1"	C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O	ABUISBDTYAZRHY-RBKZJGKHSA-N
DG50853	Basic blue 6	101929	"Basic blue 6; 7057-57-0; Meldola blue; 966-62-1; UNII-CP2ST8ED1O; C.I. Basic Blue 6; 8-Dimethylamino-2,3-benzophenoxazine hemi(zinc chloride) salt; CP2ST8ED1O; 9-(dimethylamino)benzo[a]phenoxazin-7-ium chloride; NSC9291; benzo[a]phenoxazin-9-ylidene(dimethyl)azanium;chloride; Benzo[a]phenoxazin-7-ium, 9-(dimethylamino)-, chloride; Meldola; Zinc chloride, compd. with 9-(dimethylamino)benzo[a]phenoxazin-7-ium chloride; Basic Leather Blue D; C.I. Basic Blue 6 (VAN); Naphthol blue (VAN); 9-(Dimethylamino)benzo(a)phenoxazin-7-ium chloride; Benzo(a)phenoxazin-7-ium, 9-(dimethylamino)-, chloride; Benzo(a)phenoxazin-7-ium, 9-(dimethylamino)-, chloride (1:1); Benzo[a]phenoxazin-7-ium, 9-(dimethylamino)-, chloride (1:1); C18H15N2O.Cl; NSC 9291; EINECS 213-524-1; SCHEMBL94089; Benzo(a)phenazoxonium, 9-(dimethylamino)-, chloride; Benzo(a)phenoxazinium, 9-(dimethylamino)-, chloride; Benzo[a]phenoxazinium, chloride; CHEMBL2002549; 9-(dimethylamino)benzo[a]phenazin-7-ium zinc(II) chloride; DTXSID40874040; NSC-9291; 6440AF; AKOS000283022; AKOS024306961; MCULE-4720236401; CI 51175; DB-055431; N,N-dimethylbenzo[a]phenoxazin-7-ium-9-amine; Q27275599; 9-(Dimethylamino)benzo(alpha)phenoxazin-7-ium chloride; Benzo(alpha)phenoxazin-7-ium,9-(dimethylamino)-, chloride; n-(9h-benzo[a]phenoxazin-9-ylidene)-n-methylmethanaminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9291	.	.	.	.	310.8	C18H15ClN2O	24.6	566	.	22	0	3	0	"InChI=1S/C18H15N2O.ClH/c1-20(2)13-8-9-15-17(11-13)21-16-10-7-12-5-3-4-6-14(12)18(16)19-15;/h3-11H,1-2H3;1H/q+1;/p-1"	C[N+](=C1C=CC2=NC3=C(C=CC4=CC=CC=C43)OC2=C1)C.[Cl-]	HWYNRVXFYFQSID-UHFFFAOYSA-M
DG50854	Capri Blue	102162	"Capri Blue; CAPRIBLUE; 1787-57-1; Blue Capri; Capriblau [German]; Capriblau; [7-(dimethylamino)-2-methylphenoxazin-3-ylidene]-diethylazanium;chloride; NSC 7821; 3-(Diethylamino)-7-(dimethylamino)-2-methylphenazoxonium chloride; Phenoxazin-5-ium, 3-(diethylamino)-7-(dimethylamino)-2-methyl-, chloride; DTXSID70939111; NSC7821; NSC-7821; WLN: T C666 BO EY INJ EUK1&1 MN1&1 &G; [6-(Dimethylamino)-3H-phenoxazin-3-ylidene]dimethylammonium chloride; 3-(Diethylamino)-7-(dimethylamino)-2-methylphenoxazin-5-ium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7821	.	.	.	.	345.9	C19H24ClN3O	27.8	592	.	24	0	4	3	"InChI=1S/C19H24N3O.ClH/c1-6-22(7-2)17-12-19-16(10-13(17)3)20-15-9-8-14(21(4)5)11-18(15)23-19;/h8-12H,6-7H2,1-5H3;1H/q+1;/p-1"	CC[N+](=C1C=C2C(=NC3=C(O2)C=C(C=C3)N(C)C)C=C1C)CC.[Cl-]	QQOPAWAPLFHEEP-UHFFFAOYSA-M
DG50855	7-Ethyl-10-hydroxycamptothecin	104842	"7-Ethyl-10-hydroxycamptothecin; 86639-52-3; SN-38; SN 38 lactone; SN 38; (S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; 10-Hydroxy-7-ethylcamptothecin; SN38; 7-Ethyl-10-hydroxy-20(S)-camptothecin; UNII-0H43101T0J; NK012; NK 012; NK-012; CHEBI:8988; 113015-38-6; 7-Ethyl-10-hydroxy camptothecin; NSC673596; 0H43101T0J; (4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; (+)-7-ETHYL-10-HYDROXYCAMPTOTHECIN; (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione; (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione; C22H20N2O5; 7-Ethyl-10-hydroxycamptothecine; 7-ethyl-10-hydroxy-20(s)-campthothecin; LE-SN38; Captothecin, 7-ethyl-10-hydroxy-; 110714-48-2; AvaChem1025; diethyl(dihydroxy)[ ]dione; SN 38- Bio-X; SCHEMBL34018; Irinotecan related compound b; GTPL6925; DTXSID4040399; 10-hydroxy-7-ethyl camptothecin; 10-hydroxy-7-ethyl-camptothecin; 7-Ethyl-10-hydroxy campthotecin; EX-A989; HMS3413B12; HMS3652P12; HMS3677B12; AOB33769; BCP01386; ZINC4099013; 7-Ethyl-10-hydroxy-20(S)-CPT; BDBM50418088; IT-141; s4908; AKOS015920433; SN-38(NK-012); AC-1357; BCP9000200; CCG-264764; CS-1579; DB05482; LS00055; MCULE-4181372030; NSC-673596; NCGC00167831-01; NCGC00167831-05; (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)dione; AS-13533; BE164132; BP-24513; HY-13704; I605; NCI60_026056; 7-Ethyl-10-hydroxy-20-(S)-camptothecine; E0748; N2133; SW219948-1; J90015; 439E812; A857464; Q-100871; Q1750127; 7-Ethyl-10-hydroxycamptothecin, >=98% (HPLC), powder; Irinotecan Related Compound B, United States Pharmacopeia (USP) Reference Standard; (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione; (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)dione, AldrichCPR; (4S)-4,9-Dihydroxy-4,11-diethyl-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione;SN-38; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (4S)-; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline- 3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (4S)-; 7-Ethyl-10-hydroxycamptothecin ((S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione); H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (S)-; RS4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673596	.	.	.	.	392.4	C22H20N2O5	100	820	1.4	29	2	6	2	"InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1"	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N
DG50856	10-Aminocamptothecin	104986	"10-Aminocamptothecin; 86639-63-6; Camptothecin, 10-amino-; CHEMBL102252; (4S)-9-Amino-4-ethyl-4-hydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione; (4s)-9-amino-4-ethyl-4-hydroxy-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dione; (19S)-7-amino-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 9-amino-4-ethyl-4-hydroxy-, (S)-; 10-amino-20(S)-camptothecin; SCHEMBL1727366; ANTINEOPLASTIC-652524; ZINC1587127; BDBM50406990; NSC652524; NSC-652524; 639A636; (S)-9-amino-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652524	.	.	.	.	363.4	C20H17N3O4	106	775	0.3	27	2	6	1	"InChI=1S/C20H17N3O4/c1-2-20(26)14-7-16-17-11(5-10-6-12(21)3-4-15(10)22-17)8-23(16)18(24)13(14)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)N)O	MVUUMBZAHAKPKQ-FQEVSTJZSA-N
DG50857	"3,9,15-Tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone"	105014	"Beauvericin; 26048-05-5; SCHEMBL6452789; CHEMBL1977672; Beauvericin, >=97% (HPLC); 2-AMINO-5-PHENOXYBENZOICACID; NSC708472; NSC-708472; 3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone; NCI60_038416; DB-046823; FT-0602893; J3.537.719K; Beauvericin, VETRANAL(TM), analytical standard; Cyclo(D-  -Hydroxyisovaleryl-L-N-methyl-Phe)3; J-016236; 1,13-Trioxa-4,10,16-triazacyclooctadecane, cyclic peptide deriv.; 2,8,14-Triisopropyl-4,10,16-trimethyl-5,11,17-tribenzyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-3,6,9,12,15,18-hexaone; Cyclo(D-.alpha.-hydroxyisovaleryl-N-methyl-L-phenylalanyl-D~ -.alpha.-hydroxyisovaleryl-N-methyl-L-phenylalanyl-D-.alpha.-hydroxyisovaleryl-N-methyl-L-phenylalanyl)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708472	.	.	.	.	783.9	C45H57N3O9	140	1200	8.4	57	0	9	9	"InChI=1S/C45H57N3O9/c1-28(2)37-40(49)46(7)35(26-32-21-15-11-16-22-32)44(53)56-39(30(5)6)42(51)48(9)36(27-33-23-17-12-18-24-33)45(54)57-38(29(3)4)41(50)47(8)34(43(52)55-37)25-31-19-13-10-14-20-31/h10-24,28-30,34-39H,25-27H2,1-9H3"	CC(C)C1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C)CC4=CC=CC=C4)C	GYSCAQFHASJXRS-UHFFFAOYSA-N
DG50858	"4-Oxo-4-[(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl)oxy]butanoic acid"	105031	"Artesunate; 182824-33-5; 88495-63-0; 4-Oxo-4-[(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl)oxy]butanoic acid; 4-Oxo-4-[[(1S,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid; NSC-712571; Dihydroqinghaosusuccinate; CHEMBL1967249; SCHEMBL12922911; NSC712571; MCULE-1229071455; LS-14742; NCI60_039350; DB-057077"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712571	.	.	.	.	384.4	C19H28O8	101	623	2.5	27	1	8	5	"InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)"	CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C	FIHJKUPKCHIPAT-UHFFFAOYSA-N
DG50859	Setoglaucine	107404	"Setoglaucine; Basic Blue 1; 3521-06-0; Primocyanine 6GX; Setoglaucin; C.I. Basic Blue 1; Setogalucine O; Setoglaucine O; Astrazon Blue G; Azure Blue G; Basic Blue G; Basic Blue DSC; Basic Cyanine 6G; Genacryl Blue 6G; Lithosol Blue 6G; Rhoduline blue 6G; Rhoduline Blue CG; Basic Blue 6G; Brilliant Blue 6G; Calcozine Blue 6G; Primocyanine 6 GX; Rhoduline Blue 6GA; New Fast Green 3B; Sandocryl Blue B-6G; Hidaco Basic Blue 6G; Hidaco Basic Blue 10G; Astra Rhoduline Blue 6G; Arlobas Cyanine Blue 6GN; Acronol Brilliant Blue 6G; Sumitomo Basic Cyanine 6G; Mitsui Brilliant Cyanine 6GX; Methylene Turquoise JSA Extra; Acronol Brilliant Lake Blue 6G; Aizen Brilliant Basic Cyanine 6GH; NSC 83193; UNII-92N74OA24D; 92N74OA24D; NSC83193; NSC-83193; N-(4-((2-Chlorophenyl)(4-(dimethylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride; (4-((2-Chlorophenyl)(4-(dimethylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium chloride; [4-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chloride; Methanaminium, N-[4-[(2-chlorophenyl)[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride (1:1); C23H24ClN2.Cl; Rhoduline Blue; CCRIS 9486; Methanaminium, N-(4-((2-chlorophenyl)(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, chloride (1:1); EINECS 222-531-9; Brilliant Basic Cyanine; C.I. Basic Blue-1; AI3-22668; SCHEMBL9574926; C.I. Basic Blue 1 (8CI); DTXSID30883984; 6663AF; MFCD00050260; AKOS000282962; MCULE-1107517890; C.I. 42025; P0598; D91980; Methanaminium, N-(4-((2-chlorophenyl)(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, chloride; N-(4-((2-chlorophenyl)(4-(dimethylamino)phenyl)methylene)cyclohexa-2,5-dienylidene)-N-methylmethanaminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83193	.	.	.	.	399.4	C23H24Cl2N2	6.2	557	.	27	0	2	3	"InChI=1S/C23H24ClN2.ClH/c1-25(2)19-13-9-17(10-14-19)23(21-7-5-6-8-22(21)24)18-11-15-20(16-12-18)26(3)4;/h5-16H,1-4H3;1H/q+1;/p-1"	CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3Cl.[Cl-]	GRPFBMKYXAYEJM-UHFFFAOYSA-M
DG50860	Destruxin E	107863	"Destruxin E; NSC361127; CHEMBL2005348; DTXSID70997998; NSC-361127; NCI60_003291; 3-(Butan-2-yl)-1,10-dihydroxy-5,8,9-trimethyl-16-[(oxiran-2-yl)methyl]-6-(propan-2-yl)-5,6,8,9,12,13,19,20,21,21a-decahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-4,7,14,17(3H,16H)-te"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361127	.	.	.	.	593.7	C29H47N5O8	158	1050	1.2	42	2	8	5	"InChI=1S/C29H47N5O8/c1-8-17(4)23-28(39)33(7)24(16(2)3)29(40)32(6)18(5)25(36)30-12-11-22(35)42-21(14-19-15-41-19)27(38)34-13-9-10-20(34)26(37)31-23/h16-21,23-24H,8-15H2,1-7H3,(H,30,36)(H,31,37)"	CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC3CO3)C)C)C(C)C)C	NIAYGGCQOYIHAF-UHFFFAOYSA-N
DG50861	Otenzepad	107867	"Otenzepad; AF-DX 116; 102394-31-0; Otenzepad, (+)-; AF-DX-116; UNII-SX2WTG9R3Z; UNII-WW6A9TFL2C; SX2WTG9R3Z; WW6A9TFL2C; 11-(2-(2-((Diethylamino)methyl)piperidin-1-yl)acetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one; 11-[[2-[(DIETHYLAMINO)METHYL]-1-PIPERIDINYL]ACETYL]-5,11-DIHYDRO-6H-PYRIDO[2,3-B][1,4]BENZODIAZEPIN-6-ONE; CHEMBL17045; 11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one; 100158-38-1; NSC664529; 121029-35-4; NCGC00025002-02; DSSTox_CID_25674; DSSTox_RID_81048; DSSTox_GSID_45674; 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 11-(2-(2-((diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-, (+)-; 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro- [CAS]; Otenzepad [INN]; 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[2-[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro-;6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[2-[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro-; SMR000466280; CAS-102394-31-0; BRN 4212983; 11-((2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one; Otenzepad, (-)-; Z-L-tyrosinemethylester; afdx-116; AFDX116; GTPL309; 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 11-((2-((diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-; MLS000758304; MLS001424139; SCHEMBL341879; AF-DX 116 BS; DTXSID0045674; AF-DX-250; CHEBI:111174; HMS2051L18; HMS3267K08; HMS3393L18; HMS3412I07; HMS3676I07; CEA39431; Tox21_110942; BDBM50018056; PDSP1_000468; PDSP1_000944; PDSP2_000466; PDSP2_000930; AKOS022180220; Tox21_110942_1; CCG-101052; NC00302; NSC-664529; AF-DX 116,(+/-); NCGC00025002-03; NCGC00025002-04; 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-((2-((diethylamino)methyl)-7-piperidinyl)acetyl)-; NCI60_022223; HY-101381; AF-DX 116, >=98% (HPLC); CS-0021266; FT-0762040; L023945; SR-01000597383; J-000681; SR-01000597383-1; BRD-A00520476-001-03-3; Q27088218; (+)-11-[[2-[(Diethylamino)methyl-]-1-piperidinyl]acetyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one; (-)-11-[[2-[(Diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one; (AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl]-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one; 11-[[2-[(Diethylamino)methyl]-1-piperidinyl]acetyl]-5,11,-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one; 11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl]-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one; 11-[2-[2-(diethylaminomethyl)-1-piperidyl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one; 122467-13-4; 2-Diethylaminomethyl-1-[2-oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperidinium; 5-{2-[2-(2-Dipropylamino-ethyl)-piperidin-1-yl]-acetyl}-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one; 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 11-((2-((diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-, (+)-; 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 11-((2-((diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-, (-)-; 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one,11-[2-[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664529	.	.	.	.	421.5	C24H31N5O2	68.8	625	2	31	1	5	6	"InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)"	CCN(CC)CC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4	UBRKDAVQCKZSPO-UHFFFAOYSA-N
DG50862	Triptolide	107985	"triptolide; 38748-32-2; Triptolid; NSC 163062; PG490; UNII-19ALD1S53J; 19ALD1S53J; CHEBI:9747; CHEMBL463763; MFCD00210565; PG-490; NSC-163062; PG 490; (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-6-hydroxy-8b-methyl-6a-(propan-2-yl)-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one; (6aS,7aS,8R,8aR,9aS,9bS,10aS,10bS)-8-hydroxy-8a-isopropyl-10b-methyl-1,5,5b,6,6a,8,8a,9a,9b,10b-decahydrotris(oxireno)[2',3':4b,5;2'',3'':6,7;2''',3''':8a,9]phenanthro[1,2-c]furan-3(2H)-one.; SMR000466307; NSC163062; Triptolide, 1; CPD000466307; BSPBio_001595; KBioGR_000315; KBioSS_000315; MLS000759410; MLS001424107; MLS006010844; SCHEMBL413634; DTXSID5041144; KBio2_000315; KBio2_002883; KBio2_005451; KBio3_000629; KBio3_000630; s493; Bio2_000315; Bio2_000795; HMS1361P17; HMS1791P17; HMS1989P17; HMS2051N13; HMS3402P17; TPL; ZINC8234271; BDBM50241049; s3604; AKOS022168197; AM84923; CCG-100957; CS-0286; DB12025; NC00207; IDI1_034065; NCGC00163411-01; NCGC00163411-02; NCGC00163411-03; NCGC00163411-07; BP-25386; BS-16697; HY-32735; NCI60_001223; PG490;PG 490;PG-490; Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-c)furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-; T2899; C09204; AB00639938-06; AB00639938-08; 748T322; Q906351; Q-100450; BRD-K39484304-001-02-5; BRD-K39484304-001-06-6; BRD-K39484304-001-16-5; Triptolide, Tripterygium wilfordii - CAS 38748-32-2; (1S,2S,4S,5S,7R,8R,9S,11S)-8-Hydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one; (1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-hydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one; (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-3b,4,4a,6,6a,7a,7b,8b,9,10-Decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one; (5bS,6aS,7aS,8R,8aR,9aS,9bS,10aS,10bS)-8-Hydroxy-8a-isopropyl-10b-methyl-1,5,5b,6,6a,8,8a,9a,9b,10b-decahydrotris(oxireno)[2',3':4b,5;2'',3'':6,7;2''',3''':8a,9]phenanthro[1,2-c]furan-3(2H)-one; (5bS,6aS,7aS,8R,8aR,9aS,9bS,10aS,10bS)-8-hydroxy-8a-isopropyl-10b-methyl-2,5,5b,6,6a,8,8a,9a,9b,10b-decahydrotris(oxireno)[2',3':4b,5;2'',3'':6,7;2''',3''':8a,9]phenanthro[1,2-c]furan-3(1H)-one; 144539-79-7; Trisoxireno[4b,7:8a,9]phenanthro[1,2-c]furan-(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, [3bR-(3b.alpha.,4a.alpha.,5aS*,6.beta.,6a.beta.,7a.beta.,7b.alpha.,8aS*,8b.beta.)]-; Trisoxireno[4b,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, [3bR-(3b.alpha.,4a.alpha.,5aS*,6.beta.,6a.beta.,7a.beta.,7b.alpha.,8aS*,8b.beta.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163062	.	.	.	.	360.4	C20H24O6	84.1	819	0.2	26	1	6	1	"InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1"	CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)COC6=O)C	DFBIRQPKNDILPW-CIVMWXNOSA-N
DG50863	"Pyrrolidinium,1'-ethylenebis[1-methyl-2-(3-pyridyl)-, bromide"	110653	"NSC3284; 5392-30-3; Pyrrolidinium,1'-ethylenebis[1-methyl-2-(3-pyridyl)-, bromide; NSC-3284; Pyrrolidinium,1'-ethylenebis[1-methyl-2-(3-pyridyl)-, dibromide; WLN: T6NJ C- BT5KTJ A1 A2- AT5KTJ A1 B- CT6NJ &Q 2 &I 2; Probes1_000290; Probes2_000236; CHEMBL1978965; DTXSID50968707; NSC11518; NSC-11518; 1,1'-(Ethane-1,2-diyl)bis[1-methyl-2-(pyridin-3-yl)pyrrolidin-1-ium]; 3-(1-methyl-1-(2-(1-methyl-2-(3-pyridinyl)-15-pyrrolidin-1-yl)ethyl)-15-pyrrolidin-2-yl)pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3284	.	.	.	.	352.5	C22H32N4+2	25.8	427	2.2	26	0	2	5	"InChI=1S/C22H32N4/c1-25(13-5-9-21(25)19-7-3-11-23-17-19)15-16-26(2)14-6-10-22(26)20-8-4-12-24-18-20/h3-4,7-8,11-12,17-18,21-22H,5-6,9-10,13-16H2,1-2H3/q+2"	C[N+]1(CCCC1C2=CN=CC=C2)CC[N+]3(CCCC3C4=CN=CC=C4)C	MJRIWDXWCJJQJG-UHFFFAOYSA-N
DG50864	Phimm	110719	"PIMM; PHIMM; NSC22201; 5834-81-1; NSC 22201; NSC-22201; AKOS024429071; Mercury, (1,2,3,4,7,7-hexachlorobicyclo(2.2.1)hept-2-ene-5,6-dicarboximido)phenyl-; N-(Phenylmercuri)-1,4,5,6,7,7-hexachlorobicyclo(2.2.1)heptene-5-dicarboximide; WLN: T C555 A DVNV IUTJ AG AG BG E-HG-R& HG IG JG; Mercury,4,5,6,7,7-hexachloro-5-norbornene-2,3-dicarboximido)phenyl-; 1,4,5,6,7,7-HEXACHLORO-N-(PHENYLMERCURI)BICYCLO(2.1)HEPT-5-ENE-2,3-DICARBOXIMIDE; Mercury, (1,4,5,6,7,7-hexachloro-5-norbornene-2,3-dicarboximidato)-phenyl-; Mercury, (1,4,5,6,7,7-hexachloro-5-norbornene-2,3-dicarboximido)phenyl- (8CI); Mercury,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboximido)phenyl-; N-(Phenylmercuri)-1,5,6,7,7-hexachlorobicyclo[2.2.1]heptene-5-dicarboximide; Mercury, (4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dionato-N2)phenyl- (9CI); Mercury,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dionato-N2)phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	22201	.	.	.	.	646.5	C15H7Cl6HgNO2	37.4	662	.	25	0	2	2	"InChI=1S/C9H3Cl6NO2.C6H5.Hg/c10-3-4(11)8(13)2-1(5(17)16-6(2)18)7(3,12)9(8,14)15;1-2-4-6-5-3-1;/h1-2H,(H,16,17,18);1-5H;/q;;+1/p-1"	C1=CC=C(C=C1)[Hg]N2C(=O)C3C(C2=O)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl	FNZAAEDNGCUHJL-UHFFFAOYSA-M
DG50865	"1,2-Propanediol, 3-(octyloxy)-"	112041	"3-octoxypropane-1,2-diol; 10438-94-5; 1,2-Propanediol, 3-(octyloxy)-; caprylyl glyceryl ether; 3-(Octyloxy)-1,2-propanediol; octyl glyceryl ether; NSC625447; Octyl-sepharose; 69106-60-1; 1-Glyceryloctyl ether; 1-O-Octylglycerol; Octylagarose CL-4B; Octylsepharose CL-4B; OCTYL RESIN; monooctyl glyceryl ether; Octyl-sepharose CL-4B; SCHEMBL117825; CHEMBL1974894; DTXSID50874273; 3-[(octyl)oxy]-1,2-propanediol; 3-OCTYLOXY-PROPANE-1,2-DIOL; AKOS024390817; MCULE-3516482068; NSC-625447; NCI60_007851; 3-(octyloxy)-1,2-propanediol, AldrichCPR; Q27284049; Sepharose CL 4B, 2-hydroxy-3-(octyloxy)propyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625447	.	.	.	.	204.31	C11H24O3	49.7	107	2.2	14	2	3	10	"InChI=1S/C11H24O3/c1-2-3-4-5-6-7-8-14-10-11(13)9-12/h11-13H,2-10H2,1H3"	CCCCCCCCOCC(CO)O	GUPXYSSGJWIURR-UHFFFAOYSA-N
DG50866	"3-(4-Bromophenoxy)propane-1,2-diol"	113926	"3-(4-Bromophenoxy)propane-1,2-diol; 63834-59-3; 3-(p-Bromophenoxy)-1,2-propanediol; NSC635830; (S)-3-(4-Bromophenoxy)propane-1,2-diol; 1056027-43-0; EINECS 264-503-9; BRN 2260311; 1,2-Propanediol, 3-(p-bromophenoxy)-; 4-06-00-01049 (Beilstein Handbook Reference); SCHEMBL1496588; CHEMBL1994750; DTXSID60980455; MFCD01698162; 3-(4-Bromophenoxy)-1,2-propanediol; AKOS017547897; NSC-635830; AS-30619; NCI60_011924; rac-3-(4-bromophenyloxy)propane-1,2-diol; CS-0322746"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635830	.	.	.	.	247.09	C9H11BrO3	49.7	135	1.3	13	2	3	4	"InChI=1S/C9H11BrO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2"	C1=CC(=CC=C1OCC(CO)O)Br	FZGZDDRZAZBANV-UHFFFAOYSA-N
DG50867	3-Aminopropylisothiuronium	113994	"3-Aminopropylisothiuronium; 3-aminopropyl carbamimidothioate; 7320-57-2; 3-Aminopropyl imidothiocarbamate; NSC62857; 3-Aminopropylisothiourea dihydrobromide; 7072-40-4; S-(3-Aminopropyl)thiuronium dihydrobromide; 3-Aminopropylisothiuronium bromide hydrobromide; 3-Apt; Pseudourea, 2-(3-aminopropyl)-2-thio-, dihydrobromide; S-(3-Aminopropyl)isothiourea; S-(3-Aminopropyl)isothiuronium; NSC-62857; S-aminopropylisothiourea; (3-Aminopropyl)thiopseudourea dihydrobromide; BRN 1749749; Pseudourea, 2-(3-aminopropyl)-2-thio-; S-(aminopropyl)isothiourea; 3-Aminopropylisothiuronium-; NCIStruc1_000390; NCIStruc2_000513; 2-(3-aminopropyl)isothiourea; 4-04-00-01657 (Beilstein Handbook Reference); (3-Aminopropyl)thiopseudourea-; SCHEMBL9197363; CHEMBL1434251; A 21818 (*Dihydrobromide*); Carbamimidothioic acid, 3-aminopropyl ester, dihydrobromide; DTXSID10223440; NCI62857; ZINC3954084; CCG-36236; NCGC00013735; AKOS006222289; APT (radioprotective)(*dihydrobromide*); NCGC00013735-02; NCGC00096846-01; NCI60_009211; Carbamimidothioic acid, 3-aminopropyl ester-; Carbamimidothioic acid, 3-aminopropyl ester (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	62857	.	.	.	.	133.22	C4H11N3S	101	73.7	-0.4	8	3	3	4	"InChI=1S/C4H11N3S/c5-2-1-3-8-4(6)7/h1-3,5H2,(H3,6,7)"	C(CN)CSC(=N)N	ABXZHBOLRVUXPK-UHFFFAOYSA-N
DG50868	"1-(Diethylamino)-3-((2,3-dimethoxy-6-nitro-9-acridinyl)amino)-2-propanol"	115023	"6035-39-8; 1-(Diethylamino)-3-((2,3-dimethoxy-6-nitro-9-acridinyl)amino)-2-propanol; Netoxon; Nitroakridin 3582; Nitroacridine 3582; 2-Propanol, 1-(diethylamino)-3-((2,3-dimethoxy-6-nitro-9-acridinyl)amino)-; 2-Propanol, 1-(diethylamino)-3-[(2,3-dimethoxy-6-nitro-9-acridinyl)amino]-; NSC13003; BRN 0370438; nitroacridine-3582; 9-((3-Diethylamino-2-hydroxypropyl)amino)-2,3-dimethoxy-6-nitroacridin; 4-21-00-06563 (Beilstein Handbook Reference); CHEMBL529691; SCHEMBL2544885; DTXSID20975761; 1-(diethylamino)-3-[(2,3-dimethoxy-6-nitroacridin-9-yl)amino]propan-2-ol; W-1889; Q27266406; 1-(diethylamino)-3-[(2,3-dimethoxy-6-nitro-acridin-9-yl)amino]propan-2-ol; 1-(Diethylamino)-3-[(2,3-dimethoxy-6-nitroacridin-9(10H)-ylidene)amino]propan-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13003	.	.	.	.	428.5	C22H28N4O5	113	573	3.4	31	2	8	9	"InChI=1S/C22H28N4O5/c1-5-25(6-2)13-15(27)12-23-22-16-8-7-14(26(28)29)9-18(16)24-19-11-21(31-4)20(30-3)10-17(19)22/h7-11,15,27H,5-6,12-13H2,1-4H3,(H,23,24)"	CCN(CC)CC(CNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])O	CUFPWHJUFXFYBJ-UHFFFAOYSA-N
DG50869	"N-(4'-Di-2''-chloroethylaminophenyl)-3,5-dimethylbenzoquinoneimine"	116416	"64048-65-3; NSC240529; DTXSID40982290; N-(4'-Di-2''-chloroethylaminophenyl)-3,5-dimethylbenzoquinoneimine; p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3,5-dimethyl-; NSC-240529; 2, 4-[[4-[bis(2-chloroethyl)amino]phenyl]imino]-2,6-dimethyl-; 4-({4-[BIS(2-CHLOROETHYL)AMINO]PHENYL}IMINO)-2,6-DIMETHYLCYCLOHEXA-2,5-DIEN-1-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	240529	.	.	.	.	351.3	C18H20Cl2N2O	32.7	487	3.9	23	0	3	6	"InChI=1S/C18H20Cl2N2O/c1-13-11-16(12-14(2)18(13)23)21-15-3-5-17(6-4-15)22(9-7-19)10-8-20/h3-6,11-12H,7-10H2,1-2H3"	CC1=CC(=NC2=CC=C(C=C2)N(CCCl)CCCl)C=C(C1=O)C	ZRDXRTAXSVPVHX-UHFFFAOYSA-N
DG50870	"2,3-Bis(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate"	118294	"69483-37-0; 2,3-bis(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate; 2,3-dihexadecoxypropyl 2-(trimethylazaniumyl)ethyl phosphate; 1,2-Di-O-hexadecyl-rac-glycero-3-phosphocholine; 1,2-O,O'-dihexadecyl-rac-glycero-3phosphocholine; 36314-47-3; EINECS 274-018-4; NSC606171; 1,2-O-DIHEXADECYL-RAC-GLYCERO-3-PHOSPHOCHOLINE; SCHEMBL2733343; CHEMBL1973829; DTXSID10957677; sn-3-dihexadecyl-phosphatidylcholine; EINECS 252-968-0; NSC-606171; (1)-((7-(Hexadecyloxy)-4-oxido-3,5,9-trioxa-4-phosphapentacosyl))trimethylammonium 4-oxide; FT-0732448; D-3230; D-3235; 2,3-bis(hexadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate; (R)-(7-(Hexadecyloxy)-4-oxido-3,5,9-trioxa-4-phosphapentacosyl)trimethylammonium 4-oxide; 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-(hexadecyloxy)-4-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide, (R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606171	.	.	.	.	706.1	C40H84NO6P	77	681	14.2	48	0	6	40	"InChI=1S/C40H84NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-44-38-40(39-47-48(42,43)46-37-34-41(3,4)5)45-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3"	CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCCCCCCCCC	MWTIGLPPQBNUFP-UHFFFAOYSA-N
DG50871	C.I. Basic Blue 3	118408	"Basic Blue 3; 33203-82-6; C.I. Basic Blue 3; Phenoxazin-5-ium, 3,7-bis(diethylamino)-, chloride; 3,7-Bis(diethylamino)phenoxazin-5-ium chloride; UNII-H82L80329Y; H82L80329Y; [7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium;chloride; BASICBLUE3; Phenoxazin-5-ium, 3,7-bis(diethylamino)-, chloride (1:1); CCRIS 2449; EINECS 251-403-5; NSC 409100; BB 3 dye; 7-(N,N-Diethylamino)phenoxazine-3-N,N-diethyliminium chloride; CHEMBL389921; SCHEMBL2854081; 7-(N,N-diethyliminium chloride; DTXSID30873926; C.I. 51004 Basic Blue 3; Basic Blue 3, Dye content 25 %; MFCD00011928; NSC367084; NSC409100; AKOS015894697; NSC-367084; NSC-409100; 55840-82-9; 3,7-Bis(Diethylamino)Phenoxazinium Chloride; Phenoxazin-5-ium,7-bis(diethylamino)-, chloride; J-019081; Q27279744; [7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium,chloride; Ethanaminium, N-(7-(diethylamino)-3H-phenoxazin-3-ylidene)-N-ethyl-, chloride (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	367084	.	.	.	.	359.9	C20H26ClN3O	27.8	533	.	25	0	4	5	"InChI=1S/C20H26N3O.ClH/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;/h9-14H,5-8H2,1-4H3;1H/q+1;/p-1"	CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-]	IURGIPVDZKDLIX-UHFFFAOYSA-M
DG50872	"alpha-((2,3-Dimethyl-1-aziridinyl)methyl)-2-nitro-1H-imidazole-1-ethanol"	119555	"Rsu 1164; 88876-94-2; 1-(2,3-dimethylaziridin-1-yl)-3-(2-nitroimidazol-1-yl)propan-2-ol; alpha-((2,3-Dimethyl-1-aziridinyl)methyl)-2-nitro-1H-imidazole-1-ethanol; 1-(2,3-dimethylaziridin-1-yl)-3-(2-nitro-1H-imidazol-1-yl)propan-2-ol; NSC601351; 1-(2,3-Dimethyl-1-aziridinyl)-3-(2-(hydroxy(oxido)amino)-1H-imidazol-1-yl)-2-propanol; MLS000766262; NSC600667; CHEMBL1311017; SCHEMBL10966055; DTXSID701008545; HMS2885D12; 1-(2-Nitro-1-imidazoly)-3-(2,3-dimethylaziridino)-2-propanol; SMR000528862; 1H-Imidazole-1-ethanol, alpha-((2,3-dimethyl-1-aziridinyl)methyl)-2-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601351	.	.	.	.	240.26	C10H16N4O3	86.9	288	0.8	17	1	5	4	"InChI=1S/C10H16N4O3/c1-7-8(2)13(7)6-9(15)5-12-4-3-11-10(12)14(16)17/h3-4,7-9,15H,5-6H2,1-2H3"	CC1C(N1CC(CN2C=CN=C2[N+](=O)[O-])O)C	VKUQQJFQNDTATQ-UHFFFAOYSA-N
DG50873	Colchicide	120712	"Colchicide; COLCHICIDE.HCL; Colchicide hydrochloride; 86436-50-2; N-(1,2,3-Trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide; NSC352277; 518-15-0; 10-Demethoxycolchicine; Colchicide HCL; BRN 2823461; N-(1,2,3-Trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo(a)heptalen-7-yl)acetamide; NSC 352277; Neuro_000186; (S)-N-(5,6,7,9-Tetrahydro-1,2,3-trimethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide; 4-14-00-00919 (Beilstein Handbook Reference); SCHEMBL1899187; CHEMBL2006336; DTXSID50966122; N-(1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; NSC-352277; Acetamide, N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-; N-(1,2,3-Trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)ethanimidic acid; Acetamide, N-(5,6,7,9-tetrahydro-1,2, {3-trimethoxy-9-oxobenzo[a]heptalen-7-yl)-,} hydrochloride, (S)-; Acetamide,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl)-, hydrochloride, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	352277	.	.	.	.	369.4	C21H23NO5	73.9	680	1.3	27	1	5	4	"InChI=1S/C21H23NO5/c1-12(23)22-17-9-8-13-10-18(25-2)20(26-3)21(27-4)19(13)15-7-5-6-14(24)11-16(15)17/h5-7,10-11,17H,8-9H2,1-4H3,(H,22,23)"	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=CC(=O)C=C13)OC)OC)OC	NXPCQFIROMOQEV-UHFFFAOYSA-N
DG50874	Sarveroside	120725	"Sarveroside; 545-36-8; Sarverosid [German]; Sarverosid; Sarverogenin-D-sarmentosid [German]; Sarverogenin-D-sarmentosid; Sarreroside; 3-[(2,6-dideoxy-3-o-methylhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,15-epoxycard-20(22)-enolide; DTXSID80969681; NSC123978; 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3-O-methyl-xylo-D-hexopyranosyl)oxy)-11-alpha,14-dihydroxy-7-beta,8-epoxy-; FT-0687935; 9,10b-Dihydroxy-8a,10a-dimethyl-10-oxo-1-(5-oxo-2,5-dihydro-3-furanyl)hexadecahydro-1H-benzo[f]indeno[1,7,6-bcd][1]benzofuran-6-yl 2,6-dideoxy-3-O-methylhexopyranoside #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123978	.	.	.	.	562.6	C30H42O10	141	1120	0.4	40	3	10	4	"InChI=1S/C30H42O10/c1-13-25(32)19(36-4)11-22(38-13)39-16-5-6-28(2)15(8-16)9-18-23-24(28)26(33)27(34)29(3)17(14-7-21(31)37-12-14)10-20(40-18)30(23,29)35/h7,13,15-20,22-26,32-33,35H,5-6,8-12H2,1-4H3"	CC1C(C(CC(O1)OC2CCC3(C(C2)CC4C5C3C(C(=O)C6(C5(C(O4)CC6C7=CC(=O)OC7)O)C)O)C)OC)O	XYPIGUUTGMMFPH-UHFFFAOYSA-N
DG50875	2-Chloro-3-(phenylsulfonyl)propanenitrile	121458	"2-Chloro-3-(phenylsulfonyl)propanenitrile; 1424-50-6; 2-Chloro-3-(phenylsulfonyl)propionitrile; 3-(benzenesulfonyl)-2-chloropropanenitrile; Propanenitrile, 2-chloro-3-(phenylsulfonyl)-; CP 15747; Propionitrile, 2-chloro-3-(phenylsulfonyl)-; CHEMBL1997814; SCHEMBL11660459; DTXSID90931430; NSC620129; MCULE-5377701920; NSC-620129; DA-10404; NCI60_005959; 2-Chloro-3-(phenylsulfonyl)propiononitrile; 2-Chloro-3-(phenylsulfonyl)propanenitrile #; FT-0713669; AB-337/13036027"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620129	.	.	.	.	229.68	C9H8ClNO2S	66.3	319	1.6	14	0	3	3	"InChI=1S/C9H8ClNO2S/c10-8(6-11)7-14(12,13)9-4-2-1-3-5-9/h1-5,8H,7H2"	C1=CC=C(C=C1)S(=O)(=O)CC(C#N)Cl	IWXBVRBZXCRQEB-UHFFFAOYSA-N
DG50876	beta-(5-Hydroxy-2-pyridyl)alanine	122047	"beta-(5-hydroxy-2-pyridyl)alanine; 943-82-8; 2-amino-3-(5-hydroxypyridin-2-yl)propanoic acid; NSC676454; L-AZATYROSINE; 2-Aza-DL-tyrosine; SF 1346; 3-(5-hydroxypyridin-2-yl)alanine; (+-)-alpha-Amino-5-hydroxy-2-pyridinepropanoic acid; alpha-Amino-5-hydroxy-2-pyridinepropanoic acid; SCHEMBL5283089; CHEMBL1998164; 2-Pyridinepropanoic acid, alpha-amino-5-hydroxy-, (+-)-; DTXSID70915692; 3-(5-Hydroxy-2-pyridinyl)alanine; NSC-676454; NCI60_027061; DB-009308; FT-0746389; 2-amino-3-(5-hydroxy-2-pyridyl)propanoic acid; 2-Pyridinepropanoic acid, alpha-amino-5-hydroxy- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676454	.	.	.	.	182.18	C8H10N2O3	96.4	186	-2.8	13	3	5	3	"InChI=1S/C8H10N2O3/c9-7(8(12)13)3-5-1-2-6(11)4-10-5/h1-2,4,7,11H,3,9H2,(H,12,13)"	C1=CC(=NC=C1O)CC(C(=O)O)N	YOZSEGPJAXTSFZ-UHFFFAOYSA-N
DG50877	Diazaquinomycin A	122105	"Diazaquinomycin A; 87614-40-2; 3,7-dimethyl-4,6-dipropyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone; NSC626554; Antibiotic OM 704A; Pyrido(3,2-g)quinoline-2,5,8,10(1H,9H)-tetrone, 3,7-dimethyl-4,6-dipropyl-; OM-704 A; BRN 4578367; Diazaquinomicin A; Pyrido[3,2-g]quinoline-2,5,8,10(1H,9H)-tetrone, 3,7-dimethyl-4,6-dipropyl-; SCHEMBL4328913; CHEMBL2004796; DTXSID40236523; CHEBI:181724; NSC-626554; NCI60_008405; 2,8-Dihydroxy-3,7-dimethyl-4,6-dipropylpyrido[3,2-g]quinoline-5,10-dione; 2,8-dihydroxy-3,7-dimethyl-4,6-dipropyl-pyrido[3,2-g]quinoline-5,10-dione; 3,7-Dimethyl-4,6-dipropyl-pyrido[3,2-g]quinoline-2,5,8,10(1H,9H)-tetrone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626554	.	.	.	.	354.4	C20H22N2O4	92.3	827	1.8	26	2	4	4	"InChI=1S/C20H22N2O4/c1-5-7-11-9(3)19(25)21-15-13(11)17(23)14-12(8-6-2)10(4)20(26)22-16(14)18(15)24/h5-8H2,1-4H3,(H,21,25)(H,22,26)"	CCCC1=C(C(=O)NC2=C1C(=O)C3=C(C2=O)NC(=O)C(=C3CCC)C)C	WZZGVUSWZMBPPL-UHFFFAOYSA-N
DG50878	"2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-"	122566	"32180-75-9; 2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-; NSC605762; 1-HYDROXY-N-[4-(2,4-DI-TERT-PENTYLPHENOXY)BUTYL]-2-NAPHTHAMIDE; N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamide; N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-hydroxynaphthalene-2-carboxamide; N-(4-(2,4-Di-tert-pentylphenoxy)butyl)-1-hydroxy-2-naphthamide; 2-Naphthalenecarboxamide, N-(4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)-1-hydroxy-; EINECS 250-943-9; N-[4-(2,4-Di-tert-pentylphenoxy)butyl]-1-hydroxy-2-naphthamide; ChemDiv1_019776; N-(4-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyl)-1-hydroxy-2-naphthalenecarboxamide; N-(4-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyl)-1-hydroxynaphthalene-2-carboxamide; SCHEMBL7751016; CHEMBL2005738; DTXSID7067661; HMS643C20; ZINC1609166; MFCD00128819; STK332474; AKOS001484957; MCULE-2093820329; NSC-605762; NCI60_004644; SR-01000404206; SR-01000404206-1; 1-hydroxy-N-[4-(2,4-di-t-amylphenoxy)-butyl]-2-naphthamide; 1-Hydroxy-N-[4-(2,4-di-t-pentylphenoxy)-butyl]-2-naphthamide; N-[4-(2,4-ditert-pentylphenoxy)butyl]-1-hydroxy-2-naphthamide; 1-Hydroxy-naphthalene-2-carboxylic acid {4-[2,4-bis-(1,1-dimethyl-propyl)-phenox; N-[4-(2,4-Di-tert-pentylphenoxy)butyl]-1-hydroxy-2-naphthalenecarboxamide, 99%; N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-naphthalene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	605762	.	.	.	.	475.7	C31H41NO3	58.6	660	9.5	35	2	3	11	"InChI=1S/C31H41NO3/c1-7-30(3,4)23-16-18-27(26(21-23)31(5,6)8-2)35-20-12-11-19-32-29(34)25-17-15-22-13-9-10-14-24(22)28(25)33/h9-10,13-18,21,33H,7-8,11-12,19-20H2,1-6H3,(H,32,34)"	CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C=C2)O)C(C)(C)CC	DHEJKONKJWLHGP-UHFFFAOYSA-N
DG50879	"((5-((Diphenylphosphino)methyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl)(diphenyl)phosphine"	122582	"NSC699412; ((5-((Diphenylphosphino)methyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl)(diphenyl)phosphine; SCHEMBL205923; CHEMBL1968764; DTXSID90954109; AKOS015913742; NSC-699412; NCI60_035591; FT-0604368; FT-0604409; 4,5-Bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane; (-)-1,4-Bis(diphenylphosphino)-2,3-O-isopropylidene-2,3-butanediol; (4R,5R)-4,5-Bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane; 2,3-O-Isopropylidene-2,3-dihydroxy-1,4-bis(diphenylphosphino)butane, (-)-; ((2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene))bis(diphenylphosphine); [(2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene)]bis(diphenylphosphane); [5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenyl-phosphane; Phosphine, [(2,2-dimethyl-1,3-dioxolane-4,5-diyl)dimethylene]bis[diphenyl-, trans-(-)-; ((5-[(Diphenylphosphino)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl)methyl)(diphenyl)phosphine #; 53531-20-7; Phosphine, [(2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene)]bis[diphenyl-, (4R-trans)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699412	.	.	.	.	498.5	C31H32O2P2	18.5	528	6.2	35	0	2	8	"InChI=1S/C31H32O2P2/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30H,23-24H2,1-2H3"	CC1(OC(C(O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C	VCHDBLPQYJAQSQ-UHFFFAOYSA-N
DG50880	Didemnin B	122651	"Didemnin B; UNII-OR65D8FK1B; 77327-05-0; OR65D8FK1B; CHEBI:68856; NSC-325319; (2S)-N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide; NSC325319; (2~{S})-~{N}-[(2~{R})-1-[[(3~{S},6~{S},8~{S},12~{S},13~{R},16~{S},17~{R},20~{S},23~{S})-13-[(2~{S})-butan-2-yl]-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-~{N}-methyl-1-[(2~{S})-2-oxidanylpropanoyl]pyrrolidine-2-carboxamide; N-[1-[[(12R,13S)-13-[(2R)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-(2-hydroxypropanoyl)-N-methylpyrrolidine-2-carboxamide; NorD; L-Tyrosine, N-(1-(N-(4-((3-hydroxy-4-((N-(N-(1-(2-hydroxy-1-oxopropyl)-L-prolyl)-N-methyl-L-leucyl)-L-threonyl)amino)-6-methyl-1-oxoheptyl)oxy)-2,5-dimethyl-1,3-dioxohexyl)-L-leucyl)-L-prolyl)-N,O-dimethyl-, phi-lactone; Didemnin A, N-(1-(2-hydroxy-1-oxopropyl)-L-prolyl)-, (S)-; CHEMBL414042; SCHEMBL1346816; DTXSID80228068; HY-105055; CS-0024827; BRD-K58977490-001-01-0; Q27137213; (2S)-N-[(1R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-12-hydroxy-3-isobutyl-8-isopropyl-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-13-[(1S)-1-methylpropyl]-2,5,7,10,15,19,22-heptaoxo-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]carbamoyl]-3-methyl-butyl]-1-[(2S)-2-hydroxypropanoyl]-N-methyl-pyrrolidine-2-carboxamide; (S)-N-((R)-1-(((3S,6R,7S,10R,11S,15S,17S,20S,25aS)-10-((S)-sec-butyl)-11-hydroxy-20-isobutyl-15-isopropyl-3-(4-methoxybenzyl)-2,6,17-trimethyl-1,4,8,13,16,18,21-heptaoxodocosahydro-15H-pyrrolo[2,1-f][1,15]dioxa[4,7,10,20]tetraazacyclotricosin-7-yl)amino)-4-methyl-1-oxopentan-2-yl)-1-((S)-2-hydroxypropanoyl)-N-methylpyrrolidine-2-carboxamide; 114607-50-0; 7C4; L-Tyrosine, (2S)-2-hydroxypropanoyl-L-prolyl-N-methyl-D-leucyl-L-threonyl-(3S,4R,5S)-4-amino-3-hydroxy-5-methylheptanoyl-(2S,4S)-4-hydroxy-2,5-dimethyl-3-oxohexanoyl-L-leucyl-L-prolyl-N,O-dimethyl-, (9-4)-lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	325319	.	.	.	.	1112.4	C57H89N7O15	288	2150	5.5	79	5	15	15	"InChI=1S/C57H89N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-36,39-44,46-47,49,65-66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,35-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1"	CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C)O)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O	KYHUYMLIVQFXRI-SJPGYWQQSA-N
DG50881	Actinomycin C2	122716	"Actinomycin D, 2A-D-alloisoleucine-; ACTINOMYCIN C2; ACTINOMYCIN C; Actinomycin VI; NSC87221; 2612-14-8; 8052-16-2; NSC-87221; MLS006010761; CHEMBL2004210; 2A-D-Alloisoleucine, Actinomycin D; HSCI1_000326; 2-amino-1-N-(3-butan-2-yl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-3-oxo-9-N-[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide; SMR001565514; FT-0621887; 2-amino-N9-(3,10-diisopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-N1-(10-isopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3-sec-butyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-3-oxo-phenoxazine-1,9-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87221	.	.	.	.	1269.4	C63H88N12O16	356	3050	4.1	91	5	18	9	"InChI=1S/C63H88N12O16/c1-17-31(8)44-61(86)75-25-19-21-38(75)59(84)71(14)27-40(77)73(16)50(30(6)7)63(88)90-35(12)46(57(82)67-44)69-55(80)41-42(64)51(78)33(10)53-48(41)65-47-36(23-22-32(9)52(47)91-53)54(79)68-45-34(11)89-62(87)49(29(4)5)72(15)39(76)26-70(13)58(83)37-20-18-24-74(37)60(85)43(28(2)3)66-56(45)81/h22-23,28-31,34-35,37-38,43-46,49-50H,17-21,24-27,64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)"	CCC(C)C1C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C3=C(C(=O)C(=C4C3=NC5=C(C=CC(=C5O4)C)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)N)C)C(C)C)C)C	QCXJFISCRQIYID-UHFFFAOYSA-N
DG50882	Diosquinone	122720	"Diosquinone; NSC342731; 50886-69-6; Batacanone; 4-(1,4-Dihydro-5-hydroxy-7-methyl-1,4-dioxo-2-naphthalenyl)-1a,7a-dihydro-3-hydroxy-5-methylnaphth(2,3-b)oxirene-2,7-dione; NSC 342731; DIOSQUINONE & BATACANONE; CHEMBL1984064; DTXSID00965125; NSC-342731; NCI60_003044; 3-hydroxy-4-(5-hydroxy-7-methyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-5-methyl-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione; 3-Hydroxy-4-(5-hydroxy-7-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-5-methyl-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione; 3-hydroxy-4-(5-hydroxy-7-methyl-1,4-dioxo-2-naphthyl)-5-methyl-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione; Naphth(2,3-b)oxirene-2,7-dione, 4-(1,4-dihydro-5-hydroxy-7-methyl-1,4-dioxo-2-naphthalenyl)-1a,7a-dihydro-3-hydroxy-5-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	342731	.	.	.	.	390.3	C22H14O7	121	844	3.3	29	2	7	1	"InChI=1S/C22H14O7/c1-7-3-9-15(12(23)4-7)13(24)6-11(17(9)25)14-8(2)5-10-16(19(14)27)20(28)22-21(29-22)18(10)26/h3-6,21-23,27H,1-2H3"	CC1=CC2=C(C(=C1)O)C(=O)C=C(C2=O)C3=C(C4=C(C=C3C)C(=O)C5C(C4=O)O5)O	AVBFKEHAFCGOKT-UHFFFAOYSA-N
DG50883	Nogalarol	122727	"Nogalarol; Nogalamycin compound A; NSC86005; 11052-70-3; Methyl 4-(dimethylamino)-3,5,8,10,11,13-hexahydroxy-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-14-carboxylate; U-24489; (2R)-4alpha-(Dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3beta,5beta,8,10,11beta,13alpha-hexahydroxy-6,13-dimet; methyl 23-(dimethylamino)-4,8,10,12,22,24-hexahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate; NSC 86005; NSC-86005; Compound A from Nogalamycin; CHEMBL1973057; DTXSID20911720; 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,5,8,10,11,13-hexahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2-alpha,3-beta,4-alpha,5-beta,6-alpha,11-beta,13-alpha,14-alpha)-; NCI60_041901; methyl dimethylamino-hexahydroxy-dimethyl-dioxo-[ ]carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	86005	.	.	.	.	585.6	C29H31NO12	204	1150	0.4	42	6	13	3	"InChI=1S/C29H31NO12/c1-28(39)8-13(32)14-9(18(28)26(38)40-5)6-10-15(21(14)34)22(35)16-12(31)7-11-24(17(16)20(10)33)41-27-23(36)19(30(3)4)25(37)29(11,2)42-27/h6-7,13,18-19,23,25,27,31-32,34,36-37,39H,8H2,1-5H3"	CC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C5C(=CC(=C4C3=O)O)C6(C(C(C(C(O5)O6)O)N(C)C)O)C)O)O)O	UEAXJNKEWITCAW-UHFFFAOYSA-N
DG50884	"6,6'-Dimethoxy-2,2'-dimethyloxyacanthan-7,12'-diol"	122728	"Aromoline; 6,6'-Dimethoxy-2,2'-dimethyloxyacanthan-7,12'-diol; NSC93674; DTXSID30966226; 15,30-diaza-20,25-dimethoxy-15,30-dimethyl-8,23-dioxaheptacyclo[22.6.2.2<9,12>.1<3,7>.1<14,18>.0<22,36>.0<27,31>]hexatriaconta-3,5,7(35),9,11,18,20,22(36),24(32),25,27(31),33-dodecaene-6,21-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93674	.	.	.	.	594.7	C36H38N2O6	83.9	948	6	44	2	8	2	"InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)16-22-7-10-29(39)30(17-22)43-25-8-5-21(6-9-25)15-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3"	CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)O)OC	LFFQVHXIFJLJSP-UHFFFAOYSA-N
DG50885	Quinocarmycin analog	122737	"Quinocarmycin analog; DX-52-1; MLS000766289; NSC607097; SMR000528873; 96251-59-1; 7-Cyano-5-(hydroxymethyl)-4-methoxy-13-methyl-5,7,8,9,10,11,11a,12-octahydro-8,11-epiminoazepino[1,2-b]isoquinoline-10-carboxylic acid; Antibiotic DX-52-1; cid_122737; CHEMBL1521681; BDBM46550; DTXSID90914602; NCI60_004691; (+)-DX 52-1; cyano-(hydroxymethyl)-methoxy-methyl-[ ]carboxylic acid; 8,2-b]isoquinoline-10-carboxylic acid, 7-cyano-5,7,8,9,10,11,11a,12-octahydro-5-(hydroxymethyl)-4-methoxy-13-methyl-, (5R,7R,8S,10R,11R,11aS)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	607097	.	.	.	.	357.4	C19H23N3O4	97	619	-1.7	26	2	7	3	"InChI=1S/C19H23N3O4/c1-21-12-7-11(19(24)25)18(21)13-6-10-4-3-5-16(26-2)17(10)15(9-23)22(13)14(12)8-20/h3-5,11-15,18,23H,6-7,9H2,1-2H3,(H,24,25)"	CN1C2CC(C1C3CC4=C(C(N3C2C#N)CO)C(=CC=C4)OC)C(=O)O	YGWHMSNGVVTUIT-UHFFFAOYSA-N
DG50886	"3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide"	122749	NSC645647; NSC-645647; NCI60_015625	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645647	.	.	.	.	253.25	C12H15NO5	113	311	-1	18	4	5	3	"InChI=1S/C12H15NO5/c13-12(17)7-3-1-2-6(4-7)11-10(16)9(15)8(5-14)18-11/h1-4,8-11,14-16H,5H2,(H2,13,17)"	C1=CC(=CC(=C1)C(=O)N)C2C(C(C(O2)CO)O)O	WIYQAQIDVXSPMY-UHFFFAOYSA-N
DG50887	"Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester"	122790	"ATPU; Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester; 2962-75-6; NSC56054; 3063-89-6; CHEMBL453866; DTXSID60183803; ZINC17314588; 2,2'-(9,10-Anthrylenebismethylene)bis(isothiourea); Pseudourea, 2,2'- (9,10-anthrylenedimethylene)bis[-2-thio-; 2-[[10-(carbamimidoylsulfanylmethyl)-9-anthryl]methyl]isothiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56054	.	.	.	.	354.5	C18H18N4S2	150	404	3.9	24	4	4	6	"InChI=1S/C18H18N4S2/c19-17(20)23-9-15-11-5-1-2-6-12(11)16(10-24-18(21)22)14-8-4-3-7-13(14)15/h1-8H,9-10H2,(H3,19,20)(H3,21,22)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CSC(=N)N)CSC(=N)N	ULXNUSWDNFKRMZ-UHFFFAOYSA-N
DG50888	Actinomycin vii	122799	"Actinomycin C3; Actinomycin vii; CHEMBL413035; NSC87222; NSC-87222; BDBM50071190; 2-Amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxylic acid bis-[(5-sec-butyl-12-isopropyl-9,13,16-trimethyl-4,7,11,14,17-pentaoxo-hexadecahydro-10-oxa-3a,6,13,16-tetraaza-cyclopentacyclohexadecen-8-yl)-amide]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87222	.	.	.	.	1283.5	C64H90N12O16	356	3070	4.5	92	5	18	10	"InChI=1S/C64H90N12O16/c1-17-31(7)44-61(86)75-25-19-21-38(75)59(84)71(13)27-40(77)73(15)50(29(3)4)63(88)90-35(11)46(57(82)67-44)69-55(80)37-24-23-33(9)53-48(37)66-49-42(43(65)52(79)34(10)54(49)92-53)56(81)70-47-36(12)91-64(89)51(30(5)6)74(16)41(78)28-72(14)60(85)39-22-20-26-76(39)62(87)45(32(8)18-2)68-58(47)83/h23-24,29-32,35-36,38-39,44-47,50-51H,17-22,25-28,65H2,1-16H3,(H,67,82)(H,68,83)(H,69,80)(H,70,81)"	CCC(C)C1C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)CC)C)C)C(C)C)C)N)C)C)C(C)C)C)C	XLGPRYUFOGVPMM-UHFFFAOYSA-N
DG50889	Cinerubine A	122802	"Cinerubine A; Cinerubin A; Rhodirubin C; NSC 18334; NSC 267694; NSC18334; 34044-10-5; Tauromycetin-IV; Tavromycetin-IV; Ryemycin-B2; methyl (1R,2R,4S)-4-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate; Antibiotic MA 144A2; Ryemycin B2; NSC267694; MA-144A2; NSC-18334; Cinerubin A (8CI); CHEMBL1969645; 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-2,5,7,10-tetrahydroxy-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-; 1-Naphthacenecarboxylic acid, 1-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-(2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-,; 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy); NCI60_001527; NCI60_001945; 1-naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl]oxy]-, methyl ester, (1R,2R,4S...; 1-Naphthacenecarboxylic acid,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-(2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-.alpha.-L-lyxo-hexopyranosyl-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, methyl ester (1R-(1.alpha.,2.beta.,4.beta.))-; 1-Naphthacenecarboxylic acid,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-.alpha.-L-lyxo-hexopyranosyl]-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, methyl ester,[1R-(1.alpha.,2.beta.,4.beta.)]-; 1-Naphthacenecarboxylic acid,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-.alpha.-L-lyxo-hexopyranosyl]-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosy-; methyl (1R,2R,4S)-4-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxo-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate; WLN: L E6 C666 BV MVT&&&J DQ HQ H2 IVQ OQ RQ FO- FT6OTJ B1 DN1&1 CO- FT6OTJ B1 DQ CO- FT6O CVTJ B1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	267694	.	.	.	.	827.9	C42H53NO16	237	1560	4	59	5	17	10	"InChI=1S/C42H53NO16/c1-8-42(52)16-27(31-20(35(42)41(51)53-7)13-21-32(37(31)49)38(50)34-25(46)10-9-24(45)33(34)36(21)48)57-29-14-22(43(5)6)39(18(3)55-29)59-30-15-26(47)40(19(4)56-30)58-28-12-11-23(44)17(2)54-28/h9-10,13,17-19,22,26-30,35,39-40,45-47,49,52H,8,11-12,14-16H2,1-7H3/t17 ,18 ,19 ,22 ,26 ,27-,28 ,29 ,30 ,35-,39 ,40 ,42+/m0/s1"	CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O	STUJMJDONFVTGM-CEPMKHARSA-N
DG50890	Pepleomycin sulfate	122804	peplomycin sulfate; Pepleomycin sulfate; NSC276382; NSC-276382; BLM-PEP(-CU); SCHEMBL1650390; CHEMBL1994483; BLEOMYCIN PEP -CU (FORMERLY); FT-0673625; (S)-N'-[3-[(1-Phenylethyl)amino]propyl]bleomycinamide sulfate (1:1) (salt)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	276382	.	.	.	.	1571.7	C61H90N18O25S3	779	2820	.	107	23	36	38	"InChI=1S/C61H88N18O21S2.H2O4S/c1-24-39(76-52(79-50(24)64)31(16-37(63)83)71-17-30(62)51(65)89)56(93)78-41(47(32-18-67-23-72-32)98-60-49(45(87)43(85)35(19-80)97-60)99-59-46(88)48(100-61(66)95)44(86)36(20-81)96-59)57(94)73-27(4)42(84)25(2)53(90)77-40(28(5)82)55(92)70-15-12-38-74-34(22-101-38)58-75-33(21-102-58)54(91)69-14-9-13-68-26(3)29-10-7-6-8-11-29;1-5(2,3)4/h6-8,10-11,18,21-23,25-28,30-31,35-36,40-49,59-60,68,71,80-82,84-88H,9,12-17,19-20,62H2,1-5H3,(H2,63,83)(H2,65,89)(H2,66,95)(H,67,72)(H,69,91)(H,70,92)(H,73,94)(H,77,90)(H,78,93)(H2,64,76,79);(H2,1,2,3,4)"	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNC(C)C7=CC=CC=C7)O.OS(=O)(=O)O	ZHHIHQFAUZZMTG-UHFFFAOYSA-N
DG50891	Retrochinensin	122805	"Retrochinensin; NSC254665; 5707-96-0; UNII-FPB7483LCY; FPB7483LCY; CHEMBL440125; 9-(3,4-Dimethoxy-phenyl)-8-H-furo(3',4':6,7)naphtho(2,3-d)(1,3)dioxol-6-one; NSC 254665; 9-(3,4-Dimethoxy-phenyl)-8-H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6-one; DTXSID80972539; BDBM50280960; NSC-254665; NCI60_002042; 5-(3,4-dimethoxyphenyl)-6H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one; 9-(3,4-Dimethoxy-phenyl)-8H-furo[3'',4'':6,7]naphtho[2,3-d][1,3]dioxol-6-one; 9-(3,4-Dimethoxyphenyl)-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	254665	.	.	.	.	364.3	C21H16O6	63.2	567	4	27	0	6	3	"InChI=1S/C21H16O6/c1-23-16-4-3-11(6-17(16)24-2)20-13-8-19-18(26-10-27-19)7-12(13)5-14-15(20)9-25-21(14)22/h3-8H,9-10H2,1-2H3"	COC1=C(C=C(C=C1)C2=C3C=C4C(=CC3=CC5=C2COC5=O)OCO4)OC	YYPFAIGJJDNPII-UHFFFAOYSA-N
DG50892	Destruxin A	122810	"Destruxin A; 6686-70-0; NSC361126; MEGxm0_000391; CHEMBL1969309; ACon0_000641; ACon1_001603; DTXSID60985485; MCULE-4850056936; NSC-361126; NCGC00180336-01; BD162717; BRD-A23078753-001-01-3; 3-(Butan-2-yl)-1,10-dihydroxy-5,8,9-trimethyl-6-(propan-2-yl)-16-(prop-2-en-1-yl)-5,6,8,9,12,13,19,20,21,21a-decahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-4,7,14,17(3H,16H)-tetrone; NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361126	.	.	.	.	577.7	C29H47N5O7	145	1020	2.3	41	2	7	5	"InChI=1S/C29H47N5O7/c1-9-12-21-27(38)34-16-11-13-20(34)26(37)31-23(18(5)10-2)28(39)33(8)24(17(3)4)29(40)32(7)19(6)25(36)30-15-14-22(35)41-21/h9,17-21,23-24H,1,10-16H2,2-8H3,(H,30,36)(H,31,37)"	CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC=C)C)C)C(C)C)C	XIYSEKITPHTMJT-UHFFFAOYSA-N
DG50893	Xestoquinone	122838	"Xestoquinone; 97743-96-9; (+)-Xestoquinone; 1H-Benzo(6,7)phenanthro(10,1-bc)furan-6,8,11(12bH)-trione, 2,3-dihydro-12b-methyl-, (S)-; 1-XQN; CHEMBL510492; SCHEMBL12104111; DTXSID90913675; BDBM50398330; NSC643406; NSC-643406; NCI60_014669; C20073; Q15634140; 12b-Methyl-2,3-dihydro-1H-tetrapheno[5,4-bc]furan-6,8,11(12bH)-trione; (S)-12b-Methyl-2,3-dihydro-1H-tetrapheno[5,4-bc]furan-6,8,11(12bH)-trione; (1S)-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2(11),3,6,9,13(20),15-hexaene-5,8,12-trione; XQN"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643406	.	.	.	.	318.3	C20H14O4	64.4	665	3.7	24	0	4	0	"InChI=1S/C20H14O4/c1-20-6-2-3-10-9-24-19(17(10)20)18(23)13-7-11-12(8-14(13)20)16(22)5-4-15(11)21/h4-5,7-9H,2-3,6H2,1H3/t20-/m0/s1"	C[C@@]12CCCC3=COC(=C31)C(=O)C4=C2C=C5C(=O)C=CC(=O)C5=C4	HDONDRKCXFRHQQ-FQEVSTJZSA-N
DG50894	Benzyl trisulfide	122842	"Benzyl trisulfide; 6493-73-8; Dibenzyl trisulfide; Benzyltrisulfide; Trisulfide, bis(phenylmethyl); Bis(phenylmethyl)trisulfide; (benzyltrisulfanyl)methylbenzene; DTS; 1,3-Dibenzyltrisulfane; Trisulfide,bis(phenylmethyl); Dibenzyl pertrisulfide; 1,3-Dibenzyltrisulfane #; Trisulfane, bis(phenylmethyl)-; CHEMBL378770; SCHEMBL2803113; DTXSID90215247; ZINC1658271; NSC709944; AKOS015913250; MCULE-1494292961; NSC-709944; NCI60_038710; DB-008926; FT-0663069; A854560"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709944	.	.	.	.	278.5	C14H14S3	75.9	164	4.3	17	0	3	6	"InChI=1S/C14H14S3/c1-3-7-13(8-4-1)11-15-17-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2"	C1=CC=C(C=C1)CSSSCC2=CC=CC=C2	UXDMWYANCHMSJX-UHFFFAOYSA-N
DG50895	Npf-etoposide	122849	"Npf-etoposide; 125830-36-6; NSC-628679; NSC628679; NSC 628679; CHEMBL281692; SCHEMBL13439902; DTXSID20154953; 4'-O-Demethyl-4-(4''-fluoroanilino)-4-desoxypodophyllotoxin; 1,3-dioxol-6(5H)- one der.; ZINC8656072; (5R-(5alpha,5abeta,8aalpha,9beta))-9-((4-Fluorophenyl)amino)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one; (5S,5aS,8aR,9R)-5-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; 9-((4-Fluorophenyl)amino)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, (5R-(5alpha,5abeta,8aalpha,9beta))-; (5AR,9S)-9-[(4-fluorophenyl)amino]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one; (5S,5aS,8aR,9R)-5-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 9-((4-fluorophenyl)amino)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R-(5alpha,5abeta,8abeta,9beta))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628679	.	.	.	.	493.5	C27H24FNO7	95.5	780	4.1	36	2	9	5	"InChI=1S/C27H24FNO7/c1-32-21-7-13(8-22(33-2)26(21)30)23-16-9-19-20(36-12-35-19)10-17(16)25(18-11-34-27(31)24(18)23)29-15-5-3-14(28)4-6-15/h3-10,18,23-25,29-30H,11-12H2,1-2H3/t18-,23+,24-,25+/m0/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)F	OWZJVOYADMZDSO-LVEBQJTPSA-N
DG50896	"1,4-Naphthalenedione, 5-methoxy-"	123220	"1,4-Naphthalenedione, 5-methoxy-; 5-methoxynaphthalene-1,4-dione; 4923-61-9; 5-methoxy-1,4-naphthoquinone; O-Methyljuglone; NSC618315; 1, 5-methoxy-; 5-methoxynaphthoquinone; ghl.PD_Mitscher_leg0.1; 8-Methoxy-1,4-naphthoquinone; SCHEMBL3414850; CHEMBL1989223; 5-methoxy-naphthalene-1,4-dione; DTXSID80197740; ZINC261797; NSC-618315; NCI60_005544; DB-100380; AH-357/04340044"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618315	.	.	.	.	188.18	C11H8O3	43.4	293	1.7	14	0	3	1	"InChI=1S/C11H8O3/c1-14-10-4-2-3-7-8(12)5-6-9(13)11(7)10/h2-6H,1H3"	COC1=CC=CC2=C1C(=O)C=CC2=O	DBDLTJRCKGCKSK-UHFFFAOYSA-N
DG50897	"7-Ethyl-10,11-methylenedioxy-20-S-camptothecin"	123614	"7-Ethyl-10,11-methylenedioxy-20-S-camptothecin; CHEMBL183350; 169900-78-1; SCHEMBL15711952; DTXSID00168770; BDBM50153812; NSC673592; NSC-673592; 10H-1,3-Dioxolo(4,5-g)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-8,11(7H,13H)-dione, 7,14-diethyl-7-hydroxy-, (7S)-; 7-Ethyl-10,11-methylenedioxy-20(S)-camptothecin; 7,14-diethyl-7-hydroxy-(7S)-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[5,4-g]pyrano[3'''',4'''':6,7]indolizino[1,2-b]quinoline-8,11-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673592	.	.	.	.	420.4	C23H20N2O6	98.2	899	1.6	31	1	7	2	"InChI=1S/C23H20N2O6/c1-3-11-12-5-18-19(31-10-30-18)7-16(12)24-20-13(11)8-25-17(20)6-15-14(21(25)26)9-29-22(27)23(15,28)4-2/h5-7,28H,3-4,8-10H2,1-2H3/t23-/m0/s1"	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=CC6=C(C=C51)OCO6	VPGWXOVUCCDEPV-QHCPKHFHSA-N
DG50898	9-Methoxycamptothecin	123617	"9-Methoxycamptothecin; 39026-92-1; Camptothecin, 9-methoxy-; NSC176323; C21H18N2O5; NSC-176323; (S)-4-ethyl-4-hydroxy-10-methoxy-1,12-dihydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H)-dione; NSC 176323; CAMPTOTHECIN,9-METHOXY; CHEMBL522112; SCHEMBL1004508; DTXSID00192292; HY-N6011; ZINC5011446; 8044AH; MFCD03840473; ZB1864; AKOS037514539; NCGC00385478-01; NCI60_001450; CS-0032150; N2593; F17695; (19S)-19-ethyl-19-hydroxy-8-methoxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione; (S)-4-ethyl-4-hydroxy-10-methoxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; {1H-Pyrano[3',} {4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione-,} 4-ethyl-4-hydroxy-10-methoxy-, (S)-; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione-, 4-ethyl-4-hydroxy-10-methoxy-, (S)-; NCGC00385478-01_C21H18N2O5_1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-10-methoxy-, (4S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176323	.	.	.	.	378.4	C21H18N2O5	89	790	1	28	1	6	2	"InChI=1S/C21H18N2O5/c1-3-21(26)14-8-16-18-11(7-12-15(22-18)5-4-6-17(12)27-2)9-23(16)19(24)13(14)10-28-20(21)25/h4-8,26H,3,9-10H2,1-2H3/t21-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5OC)N=C4C3=C2)O	XVMZDZFTCKLZTF-NRFANRHFSA-N
DG50899	"4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-N,N-diethylbenzamide"	123924	"Snc 80; 156727-74-1; Snc-80; SNC80; UNII-L842QB22SW; CHEMBL13470; 4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-N,N-diethylbenzamide; L842QB22SW; 4-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide; NSC707484; NCGC00024777-02; DSSTox_CID_25662; DSSTox_RID_81039; DSSTox_GSID_45662; (+)-4-[(alphaR)-alpha-((2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl]-N,N-diethylbenzamide; 4-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide; Benzamide, 4-[(R)-[(2S,5R)-2,5-dimethyl-4-(2-propen-1-yl)-1-piperazinyl](3-methoxyphenyl)methyl]-N,N-diethyl-; CAS-156727-74-1; Tocris-0764; 4-((2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl)(3-methoxyphenyl)methyl)-N,N-diethylbenzamide (2S-(1(S*),2alpha,5beta))-; SCHEMBL724753; GTPL1611; DTXSID6045662; CHEBI:109556; HMS3266B16; HMS3411H19; HMS3675H19; Tox21_110925; BDBM50039029; MFCD00672673; ZINC22066510; AKOS024458637; Tox21_110925_1; AT27894; NSC-707484; NCGC00024777-01; NCGC00024777-03; NCGC00024777-04; NCGC00024777-08; 4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl)(3-methoxyphenyl)methyl)-N,N-diethylbenzamide; AS-74938; Benzamide, 4-((2,5-dimethyl-4-(2-propenyl)-1-piperazinyl)(3-methoxyphenyl)methyl)-N,N-diethyl-, (2S-(1(S*),2alpha,5bet))-; NCI60_038183; HY-101202; B6441; CS-0020978; SR-01000597706; J-009336; Q7391803; SR-01000597706-1; BRD-K29546239-001-01-5; 3-[(4-Allyl-2,5-dimethyl-piperazin-1-yl)-(4-diethylcarbamoyl-phenyl)-methyl]-benzoic acid; 4-[(4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide; (+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl)(3-methoxyphenyl)methyl)-N,N-diethylbenzamide; (+)-4-[( R)- -((2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl]-N,N-diethylbenzamide; (+)-4-[(alpha-R)-alpha-[2S,5R]-4-allyl[2,5-dimethyl-1-piperazinyl]-3-methoxybenzyl]-N,N-diethylbenzamide; 4-((R)-((2R,5S)-4-allyl-2,5-dimethylpiperazin-1-yl)(3-methoxyphenyl)methyl)-N,N-diethylbenzamide; 4-[(4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide (SNC 80); 4-[(4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide(SNC-80); 4-[(R)-((2R,5S)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide; 4-[(R)-((R)-4-(S)-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide; 4-[(R)-(4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide; 4-[(R)-[(2S,5R)-2,5-Dimethyl-4-(2-propen-1-yl)-1-piperazinyl](3-methoxyphenyl)methyl]-N,N-diethylbenzamide; 4-[(R)-[(2S,5R)-2,5-DIMETHYL-4-(PROP-2-EN-1-YL)PIPERAZIN-1-YL](3-METHOXYPHENYL)METHYL]-N,N-DIETHYLBENZAMIDE; 4-[(R)-[(2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl](3-methoxyphenyl)-methyl]-N,N-diethylbenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707484	.	.	.	.	449.6	C28H39N3O2	36	614	4.9	33	0	4	9	"InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1"	CCN(CC)C(=O)C1=CC=C(C=C1)[C@H](C2=CC(=CC=C2)OC)N3C[C@H](N(C[C@@H]3C)CC=C)C	KQWVAUSXZDRQPZ-UMTXDNHDSA-N
DG50900	"3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one"	124286	"CHEMBL1083838; 126433-42-9; 3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one; 5'-Iodoindirubin; CHEMBL173445; SCHEMBL3849189; BDBM50313612; NSC717816; NSC-717816; NCI60_040620; 2-(2-hydroxy-5-iodo-1H-indol-3-yl)indol-3-one; (3Z)-5-iodo-3-(3-oxoindolin-2-ylidene)indolin-2-one; 5''-Iodo-1H,1''H-[2,3'']biindolylidene-3,2''-dione; 2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-; 5-Iodo-3-(3-oxo-1,3-dihydro-2H-indol-2-ylidene)-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717816	.	.	.	.	388.16	C16H9IN2O2	65.4	481	3.4	21	2	3	1	"InChI=1S/C16H9IN2O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)14-15(20)9-3-1-2-4-11(9)18-14/h1-7,19,21H"	C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)I)O	JCJGSZCPPTXTGO-UHFFFAOYSA-N
DG50901	"2-[4,7-Bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid"	124326	"NOTA; 56491-86-2; 1,4,7-Triazacyclononane-N,N',N''-triacetic acid; 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid; 2,2',2''-(1,4,7-triazonane-1,4,7-triyl)triacetic acid; 1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-; CHEMBL2005280; NSC696860; 1,4,7-triazacyclononane-1,4,7 triacetic acid; 67Ga-9N3; SCHEMBL173508; Hexahydro-1H-1,4,7-triazonine-1,4,7-triacetic acid; DTXSID60205034; BDBM50452815; MFCD00137938; s6923; ZINC19365651; AKOS016035272; ACN-037611; NSC-696860; BS-46783; NCI60_034500; HY-134418; CS-0142067; FT-0699859; 1,4,7-triazacyclononane-1,4,7-triacetic acid; E78085; 1,4,7-triazacyclononane-n,n',n'-triacetic acid; 1,4,7-tricarboxymethyl-1,4,7-triazacyclononane; A902686; 1H-1,7-Triazonine-1,4,7-triacetic acid, octahydro-; N,N',N''-Tris(carboxymethyl)-1,4,7-triazacyclononane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696860	.	.	.	.	303.31	C12H21N3O6	122	320	-7.9	21	3	9	6	"InChI=1S/C12H21N3O6/c16-10(17)7-13-1-2-14(8-11(18)19)5-6-15(4-3-13)9-12(20)21/h1-9H2,(H,16,17)(H,18,19)(H,20,21)"	C1CN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O	JHALWMSZGCVVEM-UHFFFAOYSA-N
DG50902	"5-(2-(Diethylamino)ethylamino)-8-hydroxy-6H-(1,2,3)triazolo(4,5-1-de)acridin-6-one"	124496	"NSC-645827; MLS002701557; C 1303; 128113-19-9; NSC645827; C-1303; CHEMBL95704; DTXSID30155810; ZINC5140451; 5-(2-(Diethylamino)ethylamino)-8-hydroxy-6H-(1,2,3)triazolo(4,5-1-de)acridin-6-one; NCI60_015716; SMR001565158; 5-(2-(dimethylamino)ethylamino)-8-hydroxy-6H-[1,3]triazolo[4,5,1-de]acridin-6-one; 5-[2-Dimethylaminoethylamino]-8-hydroxy-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one; 6H-(1,2,3)Triazolo(4,5,1-de)acridin-6-one, 5-((2-(dimethylamino)ethyl)amino)-8-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645827	.	.	.	.	323.35	C17H17N5O2	83.3	488	2.5	24	2	6	4	"InChI=1S/C17H17N5O2/c1-21(2)8-7-18-12-4-5-13-16-15(12)17(24)11-9-10(23)3-6-14(11)22(16)20-19-13/h3-6,9,18,23H,7-8H2,1-2H3"	CN(C)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)O	OMSFZBMJHQNEQZ-UHFFFAOYSA-N
DG50903	Benfluron N-oxide	124631	"Benfluron N-oxide; 91416-10-3; NOBF; Benflurone N-oxide; Benfluron, N-oxide-; CHEMBL1988507; DTXSID50238553; ZINC1618116; NSC625257; NSC-625257; NCI60_007791; 7H-Benzo(c)fluoren-7-one, 5-(2-(dimethylamino)ethoxy)-, N-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625257	.	.	.	.	333.4	C21H19NO3	44.4	505	3.8	25	0	3	4	"InChI=1S/C21H19NO3/c1-22(2,24)11-12-25-19-13-18-20(15-8-4-3-7-14(15)19)16-9-5-6-10-17(16)21(18)23/h3-10,13H,11-12H2,1-2H3"	C[N+](C)(CCOC1=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4C2=O)[O-]	WCZAXBXVDLKQGV-UHFFFAOYSA-N
DG50904	"2,5-Diaziridinyl-3,6-bis(2-hydroxyethylamino)-1,4-benzoquinone"	124693	"NSC-224070; NSC 224070; 2,5-Diaziridinyl-3,6-bis(2-hydroxyethylamino)-1,4-benzoquinone; 59886-54-3; UNII-79BOD3G8DW; 79BOD3G8DW; CHEBI:90193; 2,5-Bis(2-hydroxyethylamino)-3,6-diaziridinyl-1,4-benzoquinone; 3,6-Bis((2-hydroxyethyl)amino)-2,5-diaziridinyl-1,4-benzoquinone; 2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone; 2,5-Bzq; CHEMBL332840; CHEMBL2000244; DTXSID60208601; NSC224070; ZINC100660000; 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)-3,6-bis((2-hydroxyethyl)amino)-; NCI60_001846; Q27162391; 2,5-bis(2-hydroxyethylamino)-3,6-diaziridinyl-p-benzoquinone; 2,4-dione, 2,5-bis(1-aziridinyl)-3,6-bis[(2-hydroxyethyl)amino]-; 2,5-bis(aziridin-1-yl)-3,6-bis[(2-hydroxyethyl)amino]cyclohexa-2,5-diene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	224070	.	.	.	.	308.33	C14H20N4O4	105	511	-1.5	22	4	8	8	"InChI=1S/C14H20N4O4/c19-7-1-15-9-11(17-3-4-17)14(22)10(16-2-8-20)12(13(9)21)18-5-6-18/h15-16,19-20H,1-8H2"	C1CN1C2=C(C(=O)C(=C(C2=O)NCCO)N3CC3)NCCO	MXNZCIQNSJMZST-UHFFFAOYSA-N
DG50905	10-Desacetylbaccatin III	125001	"32981-86-5; 10-DEACETYLBACCATIN-III; MLS002702103; NSC251677; 10-DAB III; 10-Desacetylbaccatin III; 10-Deacetyl baccatin III; 92999-93-4; Tetrol fr. Taxus Brevifolia; SCHEMBL432541; 10-DAB; CHEMBL1713307; 10-deacetylbaccatin (10-DAB); 8-epi-10-Deacety Baccatin III; BCP07070; BCP29274; STL565984; AKOS015895539; AKOS024288610; AC-8253; MCULE-2122815535; NSC-251677; LS-15262; NCI60_002012; SMR001565671; FT-0665489; FT-0665490; FT-0700873; 10-Deacetyl pound>>7-epi-10-DAB pound>>Docetaxel 7-Epi-DAB-Impurity; 10-Deacetylbaccatin; 10-Deacetylbaccatin III; 10-Deacetylbaccatin-III; 4-(acetyloxy)-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate; [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10.0^{4,7]heptadec-13-en-2-yl] benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	251677	.	.	.	.	544.6	C29H36O10	160	1090	0.6	39	4	10	5	"InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3"	CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O	YWLXLRUDGLRYDR-UHFFFAOYSA-N
DG50906	"n1,n1-Dimethyl-n2-(1-nitroacridin-9-yl)propane-1,2-diamine"	125178	"NSC673789; n1,n1-dimethyl-n2-(1-nitroacridin-9-yl)propane-1,2-diamine; CHEMBL2003934; NSC-673789; NCI60_026110; 9-((2-(Dimethylamino)-1-methylethyl)amino)-1-(hydroxy(oxido)amino)acridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673789	.	.	.	.	324.4	C18H20N4O2	74	439	3.8	24	1	5	4	"InChI=1S/C18H20N4O2/c1-12(11-21(2)3)19-18-13-7-4-5-8-14(13)20-15-9-6-10-16(17(15)18)22(23)24/h4-10,12H,11H2,1-3H3,(H,19,20)"	CC(CN(C)C)NC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]	OMMVCTMDWJLPLM-UHFFFAOYSA-N
DG50907	Octadecylphosphocholine	125219	"Octadecylphosphocholine; 65956-63-0; octadecyl 2-(trimethylazaniumyl)ethyl phosphate; NSC282880; ODPC; N-Octadecylphosphocholine; Octadecylphosphorylcholine; Choline octadecyl phosphate; SCHEMBL744376; CHEMBL198938; DTXSID00984437; NSC 282880; NSC-282880; Ethanaminium,N,N-trimethyl-, inner salt; NCGC00178095-01; O-(Octadecylphosphoryl)choline, >=98% (TLC); O-0350; D 19391; D-19391; Ethanaminium, 2-((hydroxy(octadecyloxy)phosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	282880	.	.	.	.	435.6	C23H50NO4P	58.6	391	7.8	29	0	4	22	"InChI=1S/C23H50NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27-29(25,26)28-23-21-24(2,3)4/h5-23H2,1-4H3"	CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C	ZBNJXSZNWZUYCI-UHFFFAOYSA-N
DG50908	10-Acetylsalicyldithranol	125294	"10-Acetylsalicyldithranol; 128864-32-4; NSC641172; [2-(4,5-dihydroxy-10-oxo-9H-anthracene-9-carbonyl)phenyl] acetate; CHEMBL1982668; DTXSID90155992; 10-(2-(Acetyloxy)benzoyl)-1,8-dihydroxy-9(10H)-anthracenome; NSC-641172; NCI60_013831; 9(10H)-Anthracenome, 10-(2-(acetyloxy)benzoyl)-1,8-dihydroxy-; 2-((4,5-Dihydroxy-10-oxo-9,10-dihydro-9-anthracenyl)carbonyl)phenyl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641172	.	.	.	.	388.4	C23H16O6	101	630	4	29	2	6	4	"InChI=1S/C23H16O6/c1-12(24)29-18-11-3-2-6-13(18)22(27)19-14-7-4-9-16(25)20(14)23(28)21-15(19)8-5-10-17(21)26/h2-11,19,25-26H,1H3"	CC(=O)OC1=CC=CC=C1C(=O)C2C3=C(C(=CC=C3)O)C(=O)C4=C2C=CC=C4O	AKCGRQGFZVKXMY-UHFFFAOYSA-N
DG50909	15-Deacetylsergeolide	125729	"15-Deacetylsergeolide; 95732-45-9; NSC364170; NSC-364170; SERGEOLIDE,DESACETYL; Neuro_000204; CHEMBL1978544; SERGEOLIDE, 15-DEACETYL; DTXSID40914834; NSC364381; NSC-364381; 3,10H-furo[3,4-c]furo[2',3':6,7]naphtho[2,3-b]pyran-3(3aH)-carboxylic acid, 4,5,6a,7,7a,8,12a,13-octahydro-4,14,15-trihydroxy-8,12a-dimethyl-5,10-dioxo-, methyl ester, [3S-(3.alpha.,3a.alpha.,4.alpha.,6a.alpha.,7a.beta.,8.beta.,12a.alpha.,13.alpha.,13aS*,14S*,15R*)]; 3,13-Ethano-1H,10H-furo(3,4-c)furo(2',3':6,7)naphtho(2,3-b)pyran-3(3aH)-carboxylic acid, 4,5,6a,7,7a,8,12a,13-octahydro-4,14,15-trihydroxy-8,12a-dimethyl-5,10-dioxo-, methyl ester, (3R-(3alpha,3aalpha,4alpha,6aalpha,7abeta,8beta,12aalpha,13alpha,13aS*,14S*,15R*))-; Methyl 1,2,4-trihydroxy-8,12a-dimethyl-5,10-dioxo-1,4,5,6a,7,7a,8,10,12a,12b-decahydro-2H-3,12c-(epoxymethano)furo[2',3':6,7]phenanthro[10,1-bc]pyran-3(3aH)-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	364170	.	.	.	.	462.4	C23H26O10	149	1050	-0.1	33	3	10	2	"InChI=1S/C23H26O10/c1-8-9-4-13(24)32-11(9)6-21(2)10(8)5-12-22-7-31-23(20(29)30-3,18(27)14(25)16(21)22)17(22)15(26)19(28)33-12/h4,6,8,10,12,14-18,25-27H,5,7H2,1-3H3"	CC1C2CC3C45COC(C4C(C(=O)O3)O)(C(C(C5C2(C=C6C1=CC(=O)O6)C)O)O)C(=O)OC	NPWJHTWCKHUSAM-UHFFFAOYSA-N
DG50910	1-Bromo-2-pentadecanone	125829	"1-Bromo-2-pentadecanone; NSC617806; 70243-14-0; NSC-617806; 1-bromopentadecan-2-one; 2-Pentadecanone, 1-bromo-; CHEMBL1965568; DTXSID30220491; NCI60_005334"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617806	.	.	.	.	305.29	C15H29BrO	17.1	168	7	17	0	1	13	"InChI=1S/C15H29BrO/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16/h2-14H2,1H3"	CCCCCCCCCCCCCC(=O)CBr	VQSBLCYXZVPAIA-UHFFFAOYSA-N
DG50911	"1,4-Bis((2-aminoethyl)amino)-5,8-dihydroxy-9,10-anthraquinone"	125982	"1,4-Bis((2-aminoethyl)amino)-5,8-dihydroxy-9,10-anthraquinone; CL 232468; UNII-OZX2BS7RJ6; OZX2BS7RJ6; 96555-65-6; AEAD; 1,4-Bis[(2-Aminoethyl)amino]-5,8-Dihydroxyanthracene-9,10-Dione; CL-232468; CL 232,468; SCHEMBL4885984; CHEMBL1979181; DTXSID80242325; 1,4-bis(2-aminoethylamino)-5,8-dihydroxyanthracene-9,10-dione; ZINC5117117; NSC645017; NSC-645017; NCI60_015291; Q27453982; 1,4-bis[(2-aminoethyl)amino]-5,8-dihydroxyanthraquinone; 1,4-dihydroxy-5,8-bis-(2-amino-ethylamino)-anthracen-9,10-dione; 9,10-Anthracenedione, 1,4-bis((2-aminoethyl)amino)-5,8-dihydroxy; 9,10-Anthracenedione, 1,4-bis((2-aminoethyl)amino)-5,8-dihydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645017	.	.	.	.	356.4	C18H20N4O4	151	485	1.3	26	6	8	6	"InChI=1S/C18H20N4O4/c19-5-7-21-9-1-2-10(22-8-6-20)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,21-24H,5-8,19-20H2"	C1=CC(=C2C(=C1NCCN)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCN	CLVFWRBVFBUDQU-UHFFFAOYSA-N
DG50912	Pyrizinostatin	127007	"Pyrizinostatin; 146406-84-0; NSC660427; CHEMBL1988357; DTXSID40932831; NSC-660427; 2,6,8-trimethyl-4a-(2-oxopropyl)-4H-pyrimido[5,4-e][1,2,4]triazine-3,5,7-trione; NCI60_021143; Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2-oxopropyl)-2,6,8-trimethyl-; 4a-acetonyl-2,6,8-trimethyl-4H-pyrimido[5,4-e][1,2,4]triazine-3,5,7-trione; 2,4,4a,8-Tetrahydro-2,6, 8-trimethy-4a-(2-oxopropyl)pyrimido {[5,4-e]-1,2,4-triazine-3,5,} 7(6H)-trione; 2,4,4a,8-tetrahydro-2,6,8-trimethyl-4a-(2-oxopropyl)pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione; 2,4a,8-Tetrahydro-2,6,8-trimethy-4a-(2-oxopropyl)pyrimido [5,4-e]-1,2,4-triazine-3,5,7(6H)-trione; 2,6,8-Trimethyl-4a-(2-oxopropyl)-2,4,4a,8-tetrahydropyrimido[5,4-e][1,2,4]triazine-3,5,7(6H)-trione; 3-Hydroxy-2,6,8-trimethyl-4a-(2-oxopropyl)-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660427	.	.	.	.	281.27	C11H15N5O4	102	557	-1.8	20	1	5	2	"InChI=1S/C11H15N5O4/c1-6(17)5-11-7(13-16(4)9(19)12-11)14(2)10(20)15(3)8(11)18/h5H2,1-4H3,(H,12,19)"	CC(=O)CC12C(=NN(C(=O)N1)C)N(C(=O)N(C2=O)C)C	HUZNODILVCXFIG-UHFFFAOYSA-N
DG50913	6-Amino-2-((4-butylphenyl)amino)-9H-purine	127307	"6-Amino-2-((4-butylphenyl)amino)-9H-purine; NSC685806; CHEMBL16122; 2-N-(4-butylphenyl)-7H-purine-2,6-diamine; 99304-81-1; 2-(p-n-Butylanilino)adenine; 2-(4-n-Butylanilino)adenine; n2-(4-butylphenyl)-9h-purine-2,6-diamine; BRN 5590918; 9H-Purine, 6-amino-2-((4-butylphenyl)amino)-; SCHEMBL10798696; DTXSID80912758; BDBM50025593; NSC-685806; NCI60_030849; N~2~-(4-Butylphenyl)-3H-purine-2,6-diamine; N~2~-(4-Butylphenyl)-9H-purine-2,6-diamine; N*2*-(4-Butyl-phenyl)-9H-purine-2,6-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685806	.	.	.	.	282.34	C15H18N6	92.5	317	3.5	21	3	5	5	"InChI=1S/C15H18N6/c1-2-3-4-10-5-7-11(8-6-10)19-15-20-13(16)12-14(21-15)18-9-17-12/h5-9H,2-4H2,1H3,(H4,16,17,18,19,20,21)"	CCCCC1=CC=C(C=C1)NC2=NC(=C3C(=N2)N=CN3)N	JSFFGFGRNFFOGA-UHFFFAOYSA-N
DG50914	Isoannonacin	128014	"Isoannonacin; Annonacin-A-one; Isoannonacin A; 170900-30-8; NSC618571; 5-{6,11-DIHYDROXY-11-[5-(1-HYDROXYTRIDECYL)OXOLAN-2-YL]UNDECYL}-3-(2-OXOPROPYL)OXOLAN-2-ONE; 5-[6,11-dihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one; CHEMBL446074; DTXSID50937857; LMFA05000669; NSC-618571; 5-(6,11-Dihydroxy-11-(tetrahydro-5-(1-hydroxytridecyl)-2-furanyl)undecyl)dihydro-3-(2-oxopropyl)-2(3H)-furanone (2R-(2alpha(1(3S*,5R*),6R*,9R*),5beta(S*)))-; 5-[6,11-DIHYDROXY-11-[5-(1-HYDROXYTRIDECYL)OXOLAN-2-YL]UNDECYL]-3-(2-O XOPROPYL)OXOLAN-2-ONE; NCI60_005598; Q57617619; 2(3H)-Furanone, 5-(6,11-dihydroxy-11-(tetrahydro-5-(1-hydroxytridecyl)-2-furanyl)undecyl)dihydro-3-(2-oxopropyl)-, (2R-(2alpha(1(3S*,5R*),6R*,9R*),5beta(S*)))-; 3-acetonyl-5-[6,11-dihydroxy-11-[5-(1-hydroxytridecyl)tetrahydrofuran-2-yl]undecyl]tetrahydrofuran-2-one; 5-(6,11-Dihydroxy-11-(5-(1-hydroxytridecyl)tetrahydro-2-furanyl)undecyl)-3-(2-oxopropyl)dihydro-2(3H)-furanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618571	.	.	.	.	596.9	C35H64O7	113	714	8.1	42	3	7	26	"InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(37)18-13-12-14-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3"	CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(CCCCCC2CC(C(=O)O2)CC(=O)C)O)O)O	DGQPZGGOYKKJLX-UHFFFAOYSA-N
DG50915	N-(4-(5-Bromo-2-pyrimidinyloxy)-3-chlorophenyl)-N'-(2-nitrobenzoyl)urea	128803	"105128-93-6; HO-221; NSC624548; N-(4-(5-Bromo-2-pyrimidinyloxy)-3-chlorophenyl)-N'-(2-nitrobenzoyl)urea; N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]carbamoyl]-2-nitrobenzamide; NSC-624548; Benzamide, N-[[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-chlorophenyl]amino]carbonyl]-2-nitro-;Benzamide, N-[[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-chlorophenyl]amino]carbonyl]-2-nitro-; Neuro_000252; Benzamide, N-(((4-((5-bromo-2-pyrimidinyl)oxy)-3-chlorophenyl)amino)carbonyl)-2-nitro-; Benzamide, N-[[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-chlorophenyl]amino]carbonyl]-2-nitro-; HO 221; SCHEMBL3366352; CHEMBL1998062; DTXSID20146979; ZINC596733; N-(2-nitrobenzoyl)-N'-[4-(5-bromo-2-pyrimidinyloxy)-3-chlorophenyl]urea; NCI60_007454; N-(4-(5-bromo-2-pyrimidinyloxy)-3-chlorophenyl)-N/'-(2-nitrobenzoyl)urea; Benzamide, N-[[[4-[(5-bromo-2-pyrimidinyl)oxy]-3- chlorophenyl]amino]carbonyl]-2-nitro-; N-((4-((5-Bromopyrimidin-2-yl)oxy)-3-chlorophenyl)carbamoyl)-2-nitrobenzamide; N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chloro-phenyl]carbamoyl]-2-nitro-benzamide; N-[[[4-[(5-BROMO-2-PYRIMIDINYL)OXY]-3-CHLOROPHENYL]AMINO]CARBONYL]-2-NITROBENZAMIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624548	.	.	.	.	492.7	C18H11BrClN5O5	139	631	4.2	30	2	7	4	"InChI=1S/C18H11BrClN5O5/c19-10-8-21-18(22-9-10)30-15-6-5-11(7-13(15)20)23-17(27)24-16(26)12-3-1-2-4-14(12)25(28)29/h1-9H,(H2,23,24,26,27)"	C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)Cl)[N+](=O)[O-]	WKXWMGOTZJGIIK-UHFFFAOYSA-N
DG50916	"5-(Hydroxymethyl)-11-methyl-6H-pyrido(4,3-b)carbazole N-methylcarbamate"	130066	"5-(Hydroxymethyl)-11-methyl-6H-pyrido(4,3-b)carbazole N-methylcarbamate; 108320-79-2; NSC610190; rpi-6; CHEMBL19569; SCHEMBL9676588; ZINC25352; (11-methyl-6H-pyrido[4,3-b]carbazol-5-yl)methyl N-methylcarbamate; 6H-Pyrido(4,3-b)carbazole, 5-(hydroxymethyl)-11-methyl-, methylcarbamate; 6H-Pyrido(4,3-b)carbazole-5-methanol, 11-methyl-, methylcarbamate (ester); NSC-610190; NCI60_004788; 6H-Pyrido[4, 11-methyl-, methylcarbamate (ester); 6H-Pyrido[4, 5-hydroxymethyl-11-methyl-, N-methylcarbamate; Methylcarbamic acid (11-methyl-6H-pyrido[4,3-b]carbazol-5-yl)methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	610190	.	.	.	.	319.4	C19H17N3O2	67	472	4	24	2	3	3	"InChI=1S/C19H17N3O2/c1-11-14-9-21-8-7-12(14)15(10-24-19(23)20-2)18-17(11)13-5-3-4-6-16(13)22-18/h3-9,22H,10H2,1-2H3,(H,20,23)"	CC1=C2C=NC=CC2=C(C3=C1C4=CC=CC=C4N3)COC(=O)NC	JEURWCFQOJUTQI-UHFFFAOYSA-N
DG50917	"9-Hydroxy-6-methyl-2,3,8-trimethoxy-11H-indeno(1,2-c)isoquinolinium chloride"	130333	"96705-56-5; NSC 355457; NSC355457; Indenoisoquinoline analogue of fagaronine chloride; 9-Hydroxy-6-methyl-2,3,8-trimethoxy-11H-indeno(1,2-c)isoquinolinium chloride; 11H-Indeno(1,2-c)isoquinolinium, 9-hydroxy-6-methyl-2,3,8-trimethoxy-, chloride; CHEMBL8044; NSC-355457; 11H-Indeno[1, 9-hydroxy-2,3,8-trimethoxy-6-methyl-, chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355457	.	.	.	.	373.8	C20H20ClNO4	51.8	475	.	26	1	5	3	"InChI=1S/C20H19NO4.ClH/c1-21-10-12-7-18(24-3)19(25-4)8-13(12)15-5-11-6-16(22)17(23-2)9-14(11)20(15)21;/h6-10H,5H2,1-4H3;1H"	C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C3)O)OC)OC)OC.[Cl-]	HTBVZYVJIWBTRF-UHFFFAOYSA-N
DG50918	Proanthocyanidin B2	130556	"Proanthocyanidin B2; 15514-06-4; NSC143099; Procyanidin D; Procyanidol D; (-)-procyanidin B4; Procyanidin B; 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol; ent-Epicatechin(4alpha->8)catechin; Procyanidol oligomer; (4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-; Pyrocyanidin B-3; [4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-; NSC 143099; 35356-34-4; SCHEMBL4750189; CHEMBL1253314; SCHEMBL14339427; Ent-Epicatechin(4a->8)catechin; DTXSID00935146; CHEBI:173294; (2R,2'R,3S,3'S,4S)-2,2'-Bis(3,4-dihydroxyphenyl)-[4,8'-bichroman]-3,3',5,5',7,7'-hexaol; BCP29179; BCP29180; BCP29181; Ent-Epicatechin-(4alpha->8)-catechin; Proanthocyanidin B1;Procyanidin dimer B1; 71328-22-8; NCI60_000946; FT-0686682; FT-0686683; FT-0775556; A918727; 4,8 inverted exclamation marka-Bi-[(+)-epicatechin]; 8-(3,3',4',5,7-pentahydroxyflavan-4-yl)-3,3',4',5,7-pentahydroxyflavan; Proanthocyanidin B2;( )-Epicatechin-(4(c)micro inverted exclamation markE8)-( )-epicatechin; 2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-[4,8'-bi-1-benzopyran]-3,3',5,5',7,7'-hexol; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol; 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chromane-3,5,7-triol; 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chroman-3,5,7-triol; 20555-01-5; cis,cis inverted exclamation marka-4,8 inverted exclamation marka-Bi(3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-pentahydroxyflavane); Procyanidin-B4;(+)-Catechin-(4a 8)-(-)-epicatechin; (-)-Procyanidin B4; Catechin-(4a 8)-epicatechin; Procyanidol B4;CATECHIN-(4ALPHA->8)-EPICATECHIN"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143099	.	.	.	.	578.5	C30H26O12	221	925	2.4	42	10	12	3	"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2"	C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O	XFZJEEAOWLFHDH-UHFFFAOYSA-N
DG50919	[2-(Octadecoxymethyl)oxolan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate	130724	"Sdz 266336 (S isomer); 113201-37-9; [2-(octadecoxymethyl)oxolan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate; Sdz 266337 (R isomer); Crc 86-05; Sri 62834; Sri 62-834; Mls 266-337; NSC 614383; CHEMBL155690; DTXSID90921013; (Tetrahydro-2-(octadecycloxy)methylfuran-2-yl)methoxyphosphocholine; NSC614383; NSC-614383; 2-((Hydroxy-((2-((octadecyloxy)methyl)tetrahydrofuran-2-yl)methoxy)phosphinyl)oxy)-N,N,N-trimethylethylaminium hydroxide inner salt; {2-[(Octadecyloxy)methyl]oxolan-2-yl}methyl 2-(trimethylazaniumyl)ethyl phosphate; Ethanaminium, 2-((hydroxy((tetrahydro-2-((octadecyloxy)methyl)-2-furanyl)methoxy)phosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt, (+-)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614383	.	.	.	.	549.8	C29H60NO6P	77	577	7.9	37	0	6	26	"InChI=1S/C29H60NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-33-27-29(22-21-25-34-29)28-36-37(31,32)35-26-23-30(2,3)4/h5-28H2,1-4H3"	CCCCCCCCCCCCCCCCCCOCC1(CCCO1)COP(=O)([O-])OCC[N+](C)(C)C	OEWZGBLJCYAMEG-UHFFFAOYSA-N
DG50920	9-Amino-20-camptothecin	131182	"9-Amino-20-camptothecin; 130194-90-0; 9-Aminocamptothecin (R,S); NSC629971; RS-9-Aminocamptothecin; MLS002701638; CHEMBL315269; 9-Amino-20-(R,S)-camptothecin; 9-Amiocamptothecin; 8-amino-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione; SMR001565239; 10-Amiocamptothecin; MLS002702905; (+-)-9-Aminocamptothecine; CCRIS 9381; 9-Amino-20(RS)-camptothecin; NSC-629971; NSC 629971; SCHEMBL8715088; 10-Amino-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione; STR09285; BDBM50045367; AKOS032948107; NCI60_009742; FT-0642201; (20RS)-10-Amino-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione; (20S)-10-Amino-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione; 10-Amino-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 10-amino-4-ethyl-4-hydroxy-, (+-)-; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 10-amino-4-ethyl-4-hydroxy-, (R,S)-; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 10-amino-4-ethyl-4-hydroxy-, (R,S)-; 8-AMINO-19-ETHYL-19-HYDROXY-17-OXA-3,13-DIAZAPENTACYCLO[11.8.0.0(2),(1)(1).0 , .0(1) ,(2) ]HENICOSA-1(21),2(11),3,5,7,9,15(20)-HEPTAENE-14,18-DIONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629971	.	.	.	.	363.4	C20H17N3O4	106	775	0.3	27	2	6	1	"InChI=1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O	FUXVKZWTXQUGMW-UHFFFAOYSA-N
DG50921	"3b-hydroxy-3a,5,5-trimethyl-3-methylidene-4H-cyclopenta[a]pentalene-2,6-dione"	131851	"Incarnal; 135048-13-4; 3b-hydroxy-3a,5,5-trimethyl-3-methylidene-4H-cyclopenta[a]pentalene-2,6-dione; NSC648322; DTXSID70928868; (1-Hydroxy-2,10,10-trimethyl)-3-methylenetricyclo(6.3.0.0(2,6))undec-5,7-diene-4,9-dione; 3b-hydroxy-3a,5,5-trimethyl-3-methylene-4H-cyclopenta[a]pentalene-2,6-dione; 1H-Cyclopenta(a)pentalene-1,5(2H)-dione, 3,3a,3b,4-tetrahydro-3a-hydroxy-2,2,3b-trimethyl-4-methylene-, trans-; 3a-Hydroxy-2,2,3b-trimethyl-4-methylene-3,3a,3b,4-tetrahydro-1H-cyclopenta[a]pentalene-1,5(2H)-dione; 3a-hydroxy-2,2,3b-trimethyl-4-methylidene-3,3a,3b,4-tetrahydro-1H-cyclopenta[a]pentalene-1,5(2H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648322	.	.	.	.	244.28	C15H16O3	54.4	591	1.1	18	1	3	0	"InChI=1S/C15H16O3/c1-8-11(16)6-9-5-10-12(17)13(2,3)7-15(10,18)14(8,9)4/h5-6,18H,1,7H2,2-4H3"	CC1(CC2(C(=CC3=CC(=O)C(=C)C32C)C1=O)O)C	JHGIQUYJFHGGCR-UHFFFAOYSA-N
DG50922	"3,5-Dioxa-8-aza-4-phosphahexacosan-1-aminium, 4-hydroxy-7-(methoxymethyl)-N,N,N,8-tetramethyl-, hydroxide, inner salt, 4-oxide"	131966	"NSC643826; 136533-71-6; BN 52205; SCHEMBL9389703; bn52205; CHEMBL1970137; DTXSID30929457; NSC-643826; 3,5-Dioxa-8-aza-4-phosphahexacosan-1-aminium, 4-hydroxy-7-(methoxymethyl)-N,N,N,8-tetramethyl-, hydroxide, inner salt, 4-oxide; 3-Methoxy-2-[methyl(octadecyl)amino]propyl 2-(trimethylazaniumyl)ethyl phosphate; 8-Aza-3, 4-hydroxy- 7-(methoxymethyl)-8,N,N,N-tetramethyl-, inner salt,4-oxide; Choline, 3-methoxy- 2-[methyl(octadecyl)amino]propyl hydrogen phosphate, inner salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643826	.	.	.	.	536.8	C28H61N2O5P	71.1	522	7.7	36	0	6	27	"InChI=1S/C28H61N2O5P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(2)28(26-33-6)27-35-36(31,32)34-25-24-30(3,4)5/h28H,7-27H2,1-6H3"	CCCCCCCCCCCCCCCCCCN(C)C(COC)COP(=O)([O-])OCC[N+](C)(C)C	QISJQFBOXNKZNQ-UHFFFAOYSA-N
DG50923	"3,5-Dioxa-9-aza-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N,9-tetramethyl-, hydroxide, inner salt, 4-oxide"	131968	"136533-74-9; BN 52211; NSC643828; SCHEMBL9614165; CHEMBL2001852; DTXSID90929458; NSC-643828; 3,5-Dioxa-9-aza-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N,9-tetramethyl-, hydroxide, inner salt, 4-oxide; 9-Aza-3, 4-hydroxy- 7-methoxy-9,N,N,N-tetramethyl-, inner salt,4-oxide; 2-Methoxy-3-[methyl(octadecyl)amino]propyl 2-(trimethylazaniumyl)ethyl phosphate; Choline, 2-methoxy- 3-[methyl(octadecyl)amino]propyl hydrogen phosphate, inner salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643828	.	.	.	.	536.8	C28H61N2O5P	71.1	522	7.7	36	0	6	27	"InChI=1S/C28H61N2O5P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(2)26-28(33-6)27-35-36(31,32)34-25-24-30(3,4)5/h28H,7-27H2,1-6H3"	CCCCCCCCCCCCCCCCCCN(C)CC(COP(=O)([O-])OCC[N+](C)(C)C)OC	IMBDJLSSCGCJMU-UHFFFAOYSA-N
DG50924	[1-Methoxy-3-[methyl(octadecyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate	131972	"136533-80-7; [1-methoxy-3-[methyl(octadecyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate; BN 52207; SCHEMBL9613712; CHEMBL1994449; DTXSID60929460; NSC643827; NSC-643827; 3,5-Dioxa-8-aza-4-phosphahexacosan-1-aminium, 4-hydroxy-6-(methoxymethyl)-N,N,N,8-tetramethyl-, hydroxide, inner salt, 4-oxide; 1-Methoxy-3-[methyl(octadecyl)amino]propan-2-yl 2-(trimethylazaniumyl)ethyl phosphate; 2-Propanol, dihydrogen phosphate, monoester with choline hydroxide,inner salt; 8-Aza-3, 4-hydroxy- 6-(methoxymethyl)-8,N,N,N-tetramethyl-, inner salt,4-oxide; Choline, 3-methoxy- 1-[methyl(octadecyl)amino]-2-propyl hydrogen phosphate, inner salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643827	.	.	.	.	536.8	C28H61N2O5P	71.1	522	7.7	36	0	6	27	"InChI=1S/C28H61N2O5P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(2)26-28(27-33-6)35-36(31,32)34-25-24-30(3,4)5/h28H,7-27H2,1-6H3"	CCCCCCCCCCCCCCCCCCN(C)CC(COC)OP(=O)([O-])OCC[N+](C)(C)C	MAWNMMWIOFZBOQ-UHFFFAOYSA-N
DG50925	Cytoblastin	132024	"Cytoblastin; 137109-42-3; CHEMBL1995098; NSC654239; NSC-654239; 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 9-(2,3-dihydroxy-1-(1H-indol-3-yl)propyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-; NCI60_018832; 5-[2,3-dihydroxy-1-(1H-indol-3-yl)propyl]-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one; 9-[2,3-Dihydroxy-1-(1H-indol-3-yl)propyl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-isopropyl-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654239	.	.	.	.	490.6	C28H34N4O4	125	768	2.8	36	6	5	6	"InChI=1S/C28H34N4O4/c1-15(2)27-28(36)31-17(13-33)10-16-11-30-26-19(8-9-22(24(16)26)32(27)3)25(23(35)14-34)20-12-29-21-7-5-4-6-18(20)21/h4-9,11-12,15,17,23,25,27,29-30,33-35H,10,13-14H2,1-3H3,(H,31,36)"	CC(C)C1C(=O)NC(CC2=CNC3=C(C=CC(=C23)N1C)C(C4=CNC5=CC=CC=C54)C(CO)O)CO	NXVPLRFWXAISBZ-UHFFFAOYSA-N
DG50926	Halomon	132430	"Halomon; 142439-86-9; 6-Bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene; 6(R)-Bromo-3(S)-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene; (3S,6R)-6-bromo-3-(bromomethyl)-2,3,7-trichloro-7-methyloct-1-ene; 6-Bbmtco; Halomo; NSC650893; Synthetic Halomon; (+)-halomon; NSC 650893; NCIMech_000659; (+)-6-Bromo-3-bromomethyl-2,7-trichloro-7-methyl-1-octene; SCHEMBL345518; CHEMBL136685; DTXSID80895855; CHEBI:147399; ZINC1533878; CCG-35767; NSC673503; (R-(R*,S*))-6-Bromo-3-(bromomethyl)-2,3,7-trichloro-7-methyl-1-octene; NSC-673503; NCI60_026040; C19916; Q411493; (+)-6-Bromo-3-bromomethyl-2,3,7-trichloro-7-methyl-1-octene; 6(R)-bromo-3(S)-(bromomethyl)-7-methyl-2,3,7-trichloro-l-octene; 1-Octene, 6-bromo-3-(bromomethyl)-2,3,7-trichloro-7-methyl-, (R-(R*,S*))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650893	.	.	.	.	401.4	C10H15Br2Cl3	0	231	5.2	15	0	0	6	"InChI=1S/C10H15Br2Cl3/c1-7(13)10(15,6-11)5-4-8(12)9(2,3)14/h8H,1,4-6H2,2-3H3/t8-,10-/m1/s1"	CC(C)([C@@H](CC[C@@](CBr)(C(=C)Cl)Cl)Br)Cl	OVLCIYBVQSJPKK-PSASIEDQSA-N
DG50927	Bullatalicin	132942	"Purpureacin-1; Bullatalicin; Bullatanocin; Squamostatin C; 152323-84-7; 125882-64-6; 150134-21-7; 4-[9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one; Annonin IV; Crassiflorin; NSC634802; Purpureacin 1; Cherimolin 2; CHEBI:8643; DTXSID80925308; C08505; Q27108124; 2(5H)-Furanone, 3-(9-(5-(1,4-dihydroxy-4-(tetrahydro-5-(1-hydroxyundecyl)-2-furanyl)butyl)tetrahydro-2-furanyl)-2-hydroxynonyl)-5-methyl-; 3-(9-(5-(1,4-Dihydroxy-4-(5-(1-hydroxyundecyl)tetrahydro-2-furanyl)butyl)tetrahydro-2-furanyl)-2-hydroxynonyl)-5-methyl-2(5H)-furanone; 3-[9-(5-{1,4-Dihydroxy-4-[5-(1-hydroxyundecyl)oxolan-2-yl]butyl}oxolan-2-yl)-2-hydroxynonyl]-5-methylfuran-2(5H)-one; 4-[9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)tetrahydrofuran-2-yl]butyl]tetrahydrofuran-2-yl]-2-hydroxy-nonyl]-2-methyl-2H-furan-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634802	.	.	.	.	638.9	C37H66O8	126	833	8.2	45	4	8	25	"InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3"	CCCCCCCCCCC(C1CCC(O1)C(CCC(C2CCC(O2)CCCCCCCC(CC3=CC(OC3=O)C)O)O)O)O	HKMBLJVHVBJAIH-UHFFFAOYSA-N
DG50928	N-(1-benzylpiperidin-4-yl)-4-iodobenzamide	132995	"4-IBP; 155798-08-6; N-(1-benzylpiperidin-4-yl)-4-iodobenzamide; 155798-12-2; N-(N-Benzylpiperidin-4-yl)-4-iodobenzamide; N-(1-Benzyl-4-piperidinyl)-4-iodobenzamide; CHEMBL50112; NSC667672; BPIBA; Benzamide, 4-(iodo-125I)-N-[1-(phenylmethyl)-4-piperidinyl]- (9CI); Benzamide, 4-(iodo-125I)-N-(1-(phenylmethyl)-4-piperidinyl)-; 4-IBP cpd; Tocris-0748; (125I)-N-(N-Benzylpiperidin-4-yl)-4-iodobenzamide; SCHEMBL3366478; DTXSID80165969; CHEBI:114190; 4-(Iodo-125I)-N-(1-(phenylmethyl)-4-piperidinyl)benzamide; 4-IBP-125I; HMS3266P15; HMS3411F21; HMS3675F21; BCP29985; EX-A3242; ZINC1642602; BDBM50038419; MFCD00673910; s6561; AKOS016607579; CS-5580; MCULE-9192126656; NSC 667672; NSC-667672; NCGC00024766-01; NCGC00024766-02; BS-15253; NCI60_023558; DB-101407; HY-100155; B6433; N-(1-benzyl-4-piperidyl)-4-iodo-benzamide; A50802; N-(1-Benzyl-piperidin-4-yl)-4-iodo-benzamide; SR-01000597680; 4-iodo-N-[1-(phenylmethyl)-4-piperidinyl]benzamide; SR-01000597680-1; BRD-K62537556-001-01-7; Q27195285; Z32353734; 4IBP;4 IBP;BPIBA;N-(N-benzylpiperidin-4-yl)-4-iodobenzamide; 61V"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667672	.	.	.	.	420.3	C19H21IN2O	32.299	368	3.9	23	1	2	4	"InChI=1S/C19H21IN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)"	C1CN(CCC1NC(=O)C2=CC=C(C=C2)I)CC3=CC=CC=C3	HELCSESNNDZLFM-UHFFFAOYSA-N
DG50929	"2-(5,5-Dimethyloxolan-2-yl)-5,8-dihydroxynaphthalene-1,4-dione"	133408	"Cycloalkannin; 64981-70-0; NSC344557; 6-(5,5-Dimethyltetrahydrofuran-2-yl)-5,8-dihydroxynaphthalene-1,4-dione; NSC301457; NAPHTHAZARIN-DIMETHYL-HYDROFURAN HDFR; Neuro_000151; Naphthazarin dimethyl-hydrofuran; SCHEMBL10760717; DTXSID501001086; 2-(5,5-dimethyloxolan-2-yl)-5,8-dihydroxynaphthalene-1,4-dione; NSC-344557; 77386-93-7; 6-(5,5-dimethyltetrahydrofuran-2-yl)-5,8-dihydroxy-naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	301457	.	.	.	.	288.29	C16H16O5	83.8	507	2.6	21	2	5	1	"InChI=1S/C16H16O5/c1-16(2)6-5-12(21-16)8-7-11(19)13-9(17)3-4-10(18)14(13)15(8)20/h3-4,7,12,17-18H,5-6H2,1-2H3"	CC1(CCC(O1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O)C	ALRXDRQNAJOPCP-UHFFFAOYSA-N
DG50930	Haloquinone	133561	"Haloquinone; 80902-01-8; 3-acetyl-1,8-dihydroxy-2-methylphenanthrene-9,10-dione; 9,10-Phenanthrenedione, 3-acetyl-1,8-dihydroxy-2-methyl-; 3-Acetyl-1,8-dihydroxy-2-methyl-9,10-phenanthrenequinone; DTXSID50230779; NSC789947; NSC-789947"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789947	.	.	.	.	296.27	C17H12O5	91.7	513	3.1	22	2	5	1	"InChI=1S/C17H12O5/c1-7-10(8(2)18)6-11-9-4-3-5-12(19)13(9)16(21)17(22)14(11)15(7)20/h3-6,19-20H,1-2H3"	CC1=C(C=C2C3=C(C(=CC=C3)O)C(=O)C(=O)C2=C1O)C(=O)C	CPYFLMXPZMBECD-UHFFFAOYSA-N
DG50931	"N-(3,4-Dimethyl-5-isoxazolyl)-4-amino-1,2-naphthoquinone"	133732	"N-(3,4-Dimethyl-5-isoxazolyl)-4-amino-1,2-naphthoquinone; 81620-95-3; 4-((3,4-Dimethyl-5-isoxazolyl)imino)-2-hydroxy-1(4H)-naphthalenone; NSC673787; BRN 1005485; 3,4-Dianq; 81620-91-9; 2-Hydroxy-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine; 2-Hydroxy-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinoneimine; 1,4-Naphthoquinone imine, N-(3,4-dimethyl-5-isoxazolyl)-2-hydroxy-; 2-Hydroxy-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone-4-imine; 2-Hidroxi-N-(3,4-dimetil-5-isoxazolil)-1,4-naftoquinona-4-imina [Italian]; SCHEMBL3272156; SCHEMBL5065021; CHEMBL2001103; DTXSID50231226; 1,2-Naphthalenedione, 4-((3,4-dimethyl-5-isoxazolyl)amino)-; 2-Hidroxi-N-(3,4-dimetil-5-isoxazolil)-1,4-naftoquinona-4-imina; 1(4H)-Naphthalenone, 4-((3,4-dimethyl-5-isoxazolyl)imino)-2-hydroxy-; NSC-673787; NCI60_026108; 2-Hydroxy-N-(3,4-dimethylisoxazol-5-yl)-1,4-naphthoquinone imine; (4E)-4-(3,4-dimethylisoxazol-5-yl)imino-2-hydroxy-naphthalen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673787	.	.	.	.	268.27	C15H12N2O3	72.2	460	2.3	20	1	5	2	"InChI=1S/C15H12N2O3/c1-8-9(2)17-20-15(8)16-12-7-13(18)14(19)11-6-4-3-5-10(11)12/h3-7,16H,1-2H3"	CC1=C(ON=C1C)NC2=CC(=O)C(=O)C3=CC=CC=C32	VNVKTYUMZHBALO-UHFFFAOYSA-N
DG50932	12a-Hydroxydalpanol	134875	"12a-hydroxydalpanol; 85042-77-9; (1R,6R,13R)-13-hydroxy-6-(2-hydroxypropan-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one; DH-2,6-OH-rotenone; NSC646924; 1',2'-Dihydro-2',6-dihydroxyrotenone; 12Abeta-Hydroxydalpanol; CHEMBL515078; DTXSID801005413; ZINC5824063; MCULE-3642569299; NSC-646924; NCI60_016219; NCGC00385138-01!; (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-6a-hydroxy-2-(1-hydroxy-1-methylethyl)-8,9-dimethoxy-, (2R-(2alpha,6aalpha,12aalpha))-; 6a-Hydroxy-2-(2-hydroxypropan-2-yl)-8,9-dimethoxy-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646924	.	.	.	.	428.4	C23H24O8	104	712	2.1	31	2	8	3	"InChI=1S/C23H24O8/c1-22(2,25)18-7-12-14(30-18)6-5-11-20(12)31-19-10-29-15-9-17(28-4)16(27-3)8-13(15)23(19,26)21(11)24/h5-6,8-9,18-19,25-26H,7,10H2,1-4H3/t18-,19-,23-/m1/s1"	CC(C)([C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@]4(C3=O)O)OC)OC)O	NSFCLBVWJYYZMR-DNVFCKCGSA-N
DG50933	"2,4-Pyrimidinediamine, 5-phenyl-6-(phenylmethyl)-"	135015	"2,4-Pyrimidinediamine, 5-phenyl-6-(phenylmethyl)-; 35650-73-8; BRN 0543625; 2,4-Diamino-5-phenyl-6-benzylpyrimidine; 5-Phenyl-6-(phenylmethyl)-2,4-pyrimidinediamine; 5-25-12-00288 (Beilstein Handbook Reference); DTXSID80189160"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135015	.	.	.	.	276.34	C17H16N4	77.8	310	3.2	21	2	4	3	"InChI=1S/C17H16N4/c18-16-15(13-9-5-2-6-10-13)14(20-17(19)21-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H4,18,19,20,21)"	C1=CC=C(C=C1)CC2=C(C(=NC(=N2)N)N)C3=CC=CC=C3	QDWJCZSWOFJJHM-UHFFFAOYSA-N
DG50934	"5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone"	136417	"5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone; 1176-88-1; 5-OH-HxMF; UNII-07JTS22V9J; 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-chromen-4-one; 07JTS22V9J; CHEMBL422237; 5-Hydroxy-3,6,7,8,3'4'-hexamethoxyflavone; 5-hydroxy-3,3',4',6,7,8-hexamethoxyflavone; MLS000876958; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-; SCHEMBL507435; cid_136417; MEGxp0_001193; ACon1_000728; DTXSID50151834; HMS2267M18; 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxychromen-4-one; BDBM50064899; LMPK12113343; NSC618935; NSC-618935; NCI60_005671; SMR000440656; 3,6,7,8,3',4'-Hexamethoxy-5-hydroxyflavone; 5-hydroxy-3,6,7,8,3'',4''-hexamethoxyflavone; BRD-K29611061-001-01-0; Q27236309; 2-(3,4-Dimethoxy-phenyl)-5-hydroxy-3,6,7,8-tetramethoxy-chromen-4-one; 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618935	.	.	.	.	418.4	C21H22O9	102	636	3.4	30	1	9	7	"InChI=1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-18(26-3)14(22)13-15(23)19(27-4)21(29-6)20(28-5)17(13)30-16/h7-9,23H,1-6H3"	COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC)OC	JDVPHCLYMGBZLE-UHFFFAOYSA-N
DG50935	Phenyl prop-1-ynyl sulphone	137626	Phenyl prop-1-ynyl sulphone; 2525-41-9; NSC168905; propynyl phenyl sulfone; 1-phenylsulphonylpropyne; Phenyl(1-propynyl) sulfone; SCHEMBL6096070; CHEMBL2006209; DTXSID80179905; ZINC1673901; NSC 168905; NSC-168905	.	.	Investigative Drug(s)	Investigative	Small molecular drug	168905	.	.	.	.	180.23	C9H8O2S	42.5	290	2.1	12	0	2	1	"InChI=1S/C9H8O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h3-7H,1H3"	CC#CS(=O)(=O)C1=CC=CC=C1	LYYXDHMLCDVGGI-UHFFFAOYSA-N
DG50936	(2-Benzimidazolylthio)-acetic acid	137805	"3042-00-0; (2-Benzimidazolythio)acetic acid; (2-BENZIMIDAZOLYLTHIO)ACETIC ACID; (2-Benzimidazolylthio)-acetic acid; (1H-Benzoimidazol-2-ylsulfanyl)acetic acid; (1H-benzimidazol-2-ylthio)acetic acid; 2-(1H-benzimidazol-2-ylsulfanyl)acetic acid; NSC14186; 2-((1H-benzo[d]imidazol-2-yl)thio)acetic acid; CHEMBL394385; 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetic acid; NSC-14186; (1H-benzimidazol-2-ylsulfanyl)acetic acid; (1H-benzimidazol-3-ium-2-ylsulfanyl)acetate; 2-(1H-benzo[d]imidazol-2-ylthio)acetic acid; Maybridge1_003613; ChemDiv1_000072; Cambridge id 5131438; NCIStruc1_000413; NCIStruc2_001172; Oprea1_133238; Oprea1_618077; CBDivE_001689; MLS000530168; SCHEMBL3515244; HMS551M05; HMS587D06; ZINC60423; DTXSID70184508; HMS2354L22; (2-benzimidazolylthio) acetic acid; 2-(Benzimidazolylthio) acetic acid; ALBB-004692; NCI14186; 2-(2-benzimidazolylthio)acetic acid; 9604AD; BBL000069; BDBM50371224; CCG-38162; MFCD00022673; NCGC00013185; NSC 14186; STK387529; AKOS000206221; MCULE-8529845524; (1H-Benzoimidazole-2-ylthio)acetic acid; NCGC00013185-02; NCGC00096306-01; MS-11241; NCI60_000921; SMR000135145; DB-047777; BB 0219685; EU-0001033; FT-0604602; Acetic acid, 2-(1H-benzimidazol-2-ylthio)-; 2-(1H-1,3-benzimidazol-2-ylsulfanyl)acetic acid; AE-641/00387011; W-202255; Z55903459; F0039-0156"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14186	.	.	.	.	208.24	C9H8N2O2S	91.3	225	1.7	14	2	4	3	"InChI=1S/C9H8N2O2S/c12-8(13)5-14-9-10-6-3-1-2-4-7(6)11-9/h1-4H,5H2,(H,10,11)(H,12,13)"	C1=CC=C2C(=C1)NC(=N2)SCC(=O)O	UYNVBLJQBCTRKV-UHFFFAOYSA-N
DG50937	"2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid"	138417	"5115-65-1; 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid; 19506-85-5; 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid; NSC27515; N-Phthalyl-DL-valine; 2-(1,3-dioxoisoindolin-2-yl)-3-methylbutanoic acid; Phthalyl-DL-valine; 2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-methyl-butyric acid; N-Phthaloyl-L-valine; 2-(1,3-dioxoisoindol-2-yl)-3-methyl-butanoic acid; MFCD00043587; PHT-DL-VAL-OH; MFCD00191000; NSC-27515; N-phthalyl valine; Phthaloyl-DL-Valine; TimTec1_004995; Oprea1_618998; SCHEMBL511872; 2-Isoindolineacetic acid, .alpha.-isopropyl-1,3-dioxo-; CHEMBL1998126; DTXSID00965423; HMS1548D01; ALBB-009411; 3-Methyl-2-phthalimidylbutanoic acid; BBL002517; NSC 22912; NSC 27515; STK387388; 2H-Isoindole-2-acetic acid, 1,3-dihydro-.alpha.-(1-methylethyl)-1,3-dioxo-; AKOS000114636; AKOS016040457; FS-4367; MCULE-9293149973; SB64541; SB65571; N-(1-Carboxy-2-methylpropyl)phthalimide; NCI60_002238; SY264512; EU-0033596; FT-0679556; FT-0698713; A871356; SR-01000390314; SR-01000390314-1; 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoic acid; F0827-0161; 2-(5-MERCAPTO-1,3,4-THIADIAZOL-2-YLTHIO)SUCCINICACID; 2-Isoindolineacetic acid, 1,3-dioxo-.alpha.-isopropyl-, l-,; 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid #; 2H-Isoindole-2-acetic acid, 1,3-dihydro-alpha-(1-methylethyl)-1,3-dioxo-; 2H-Isoindole-2-acetic acid,3-dihydro-.alpha.-(1-methylethyl)-1,3-dioxo-; 2H-Isoindole-2-acetic acid, 1,3-dihydro-.alpha.-(1-methylethyl)-1,3-dioxo-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	27515	.	.	.	.	247.25	C13H13NO4	74.7	367	1.9	18	1	4	3	"InChI=1S/C13H13NO4/c1-7(2)10(13(17)18)14-11(15)8-5-3-4-6-9(8)12(14)16/h3-7,10H,1-2H3,(H,17,18)"	CC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O	UUIPGCXIZVZSEC-UHFFFAOYSA-N
DG50938	1-(4-Methoxyphenylazo)-2-naphthol	139450	"1-(4-Methoxyphenylazo)-2-naphthol; 13411-91-1; 1-[(4-methoxyphenyl)diazenyl]naphthalen-2-ol; 2-Naphthalenol, 1-[(4-methoxyphenyl)azo]-; 1-[(E)-(4-Methoxyphenyl)diazenyl]-2-naphthol; NSC70811; SCHEMBL8428506; CHEMBL1975744; 1-(p-methoxyphenylazo)-2-naphthol; NSC 70811; NSC-70811; ZINC17327079; ZINC100488884; ZINC103295767; CCG-247171; MCULE-4579123795; NCI60_038344; 1-[(4-Methoxyphenyl)diazenyl]-2-naphthol; 1,2-Naphthalenedione, 1-[(4-methoxyphenyl)hydrazone]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	70811	.	.	.	.	278.3	C17H14N2O2	54.2	353	4.1	21	1	4	3	"InChI=1S/C17H14N2O2/c1-21-14-9-7-13(8-10-14)18-19-17-15-5-3-2-4-12(15)6-11-16(17)20/h2-11,20H,1H3"	COC1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O	XYVPTQBXFHRJJR-UHFFFAOYSA-N
DG50939	Methyl 3-bromo-2-(bromomethyl)propionate	140895	"22262-60-8; Methyl 3-bromo-2-(bromomethyl)propionate; Methyl 3-bromo-2-(bromomethyl)propanoate; METHYL 2-BIS-(BROMOMETHYL)-ACETATE; 3-Bromo-2-bromomethyl-propionic acid methyl ester; Propanoic acid, 3-bromo-2-(bromomethyl)-, methyl ester; Methyl Bis(bromomethyl)acetate; NSC620109; SCHEMBL329106; CHEMBL1974159; DTXSID00176810; ACT03014; ZINC1615962; Methyl beta,beta'-Dibromoisobutyrate; MFCD00011534; AKOS009157094; NSC-620109; AS-38076; NCI60_005942; U873; DB-045858; A4781; CS-0112200; FT-0638206; M2066; Methyl 3-bromo-2-(bromomethyl)propanoate #; EN300-61326; Methyl 3-bromo-2-(bromomethyl)propionate, 98%; 262M608; 2-(Bromomethyl)-3-bromopropionic acid methyl ester; 3-bromo-2-(bromomethyl)-propionic acid methyl ester; 3-Bromo-2-(bromomethyl)propionic Acid Methyl Ester; J-014613"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620109	.	.	.	.	259.92	C5H8Br2O2	26.3	91	1.6	9	0	2	4	"InChI=1S/C5H8Br2O2/c1-9-5(8)4(2-6)3-7/h4H,2-3H2,1H3"	COC(=O)C(CBr)CBr	USXVPPOARMSYGY-UHFFFAOYSA-N
DG50940	3-Allyl-2-hydroxybenzaldehyde	141062	"3-Allyl-2-hydroxybenzaldehyde; 24019-66-7; 3-Allylsalicylaldehyde; 3-Allyl-2-hydroxy-benzaldehyde; 2-hydroxy-3-prop-2-enylbenzaldehyde; Benzaldehyde, 2-hydroxy-3-(2-propenyl)-; Salicylaldehyde, 3-allyl-; 2-hydroxy-3-(prop-2-en-1-yl)benzaldehyde; 2-Hydroxy-3-allylbenzaldehyde; 3-Allylsalicylaldehyde, 97%; SCHEMBL617923; 3-Allyl-2-hydroxybenzaldehyde #; DTXSID80178751; ACT00896; ALBB-018715; BCP15030; ZINC1420514; MFCD00037364; NSC775632; AKOS000300715; MCULE-5036151620; NSC-775632; PS-5911; DB-010051; FT-0614893; W4757; X4650; O10931; 019A667; A817043; ETHYLENEDIAMINE-N,N-DIACETIC-N,N-DIPROPIONICACID; 3-allyl-2-hydroxy-benzaldehyde;3-Allyl-2-hydroxybenzaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775632	.	.	.	.	162.18	C10H10O2	37.3	165	2.7	12	1	2	3	"InChI=1S/C10H10O2/c1-2-4-8-5-3-6-9(7-11)10(8)12/h2-3,5-7,12H,1,4H2"	C=CCC1=C(C(=CC=C1)C=O)O	INLWEXRRMUMHKB-UHFFFAOYSA-N
DG50941	"4-N,N-Bis(2-chloroethyl)amino-2-tolualdehyde"	141295	"4-N,N-Bis(2-chloroethyl)amino-2-tolualdehyde; 26459-95-0; 4-[Bis(2-chloroethyl)amino]-2-methylbenzaldehyde; 4-NN-Bis(2-chloroethyl)amino-2-tolualdehyde; o-Tolualdehyde, 4-(bis(2-chloroethyl)amino)-; MLS002702989; SMR001566798; Benzaldehyde, 4-[bis(2-chloroethyl)amino]-2-methyl-; 4-(Bis(2-chloroethyl)amino)-2-methylbenzaldehyde; NSC49520; cid_141295; CHEMBL1720301; SCHEMBL10333910; BDBM91407; DTXSID90181054; ZINC1681422; MFCD00043520; NSC 49520; NSC-49520; AKOS027381132; NCI60_004188; DB-080775; FT-0619308; 4-N,N-bis-(2-chloroethyl)amino-2-tolualdehyde; 4-[bis(2-chloroethyl)amino]-2-methyl-benzaldehyde; 4-[Bis(2-chloroethyl)amino]-2-methylbenzaldehyde #; 4-[bis[2-chloro-ethyl]amino]-2-methyl-benzaldehyde; 4-[bis-(2-chloro-ethyl)-amino]-2-methyl-benzaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	49520	.	.	.	.	260.16	C12H15Cl2NO	20.3	207	3.1	16	0	2	6	"InChI=1S/C12H15Cl2NO/c1-10-8-12(3-2-11(10)9-16)15(6-4-13)7-5-14/h2-3,8-9H,4-7H2,1H3"	CC1=C(C=CC(=C1)N(CCCl)CCCl)C=O	ZQIAXDULHBLZJE-UHFFFAOYSA-N
DG50942	8-Hydroxyquinoline salicylate	142766	"2439-07-8; 8-Hydroxyquinoline salicylate; NSC3907; Oxyquinoline salicylate; Benzoic acid, 2-hydroxy-, compd. with 8-quinolinol (1:1); UNII-98Z1AMM4PS; 98Z1AMM4PS; Quinolin-8-ol 2-hydroxybenzoate; NSC-3907; 2-hydroxybenzoic acid;quinolin-8-ol; 8-Quinolinol Salicylic acid (1:1); DSSTox_CID_25081; DSSTox_RID_80656; DSSTox_GSID_45081; CAS-2439-07-8; Salicylate of 8-oxyquinoline; 8-Quinolinol, salicylate (salt); NSC 3907; EINECS 219-457-4; 2-hydroxybenzoic acid; quinolin-8-ol; SCHEMBL891989; Salicylic acid, compound with quinolin-8-ol (1:1); 2-hydroxybenzoic acid compound with 8-quinolinol (1:1); CHEMBL1366480; DTXSID1045081; NCI3907; Tox21_110005; CCG-37737; NCGC00013042; Tox21_110005_1; NCGC00013042-01; NCGC00013042-02; NCGC00096169-01; NCGC00159447-07; NCI60_003700; A928456; Q27272152; Benzoic acid, 2-hydroxy-, compd. with 8-quinolinol (1:1) (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3907	.	.	.	.	283.28	C16H13NO4	90.6	270	.	21	3	5	1	"InChI=1S/C9H7NO.C7H6O3/c11-8-5-1-3-7-4-2-6-10-9(7)8;8-6-4-2-1-3-5(6)7(9)10/h1-6,11H;1-4,8H,(H,9,10)"	C1=CC=C(C(=C1)C(=O)O)O.C1=CC2=C(C(=C1)O)N=CC=C2	GOEKBPHGLUYFOX-UHFFFAOYSA-N
DG50943	Amphethinile	146332	"Amphethinile; 91531-98-5; 2-amino-5-phenylsulfanyl-1H-indole-3-carbonitrile; MLS002701722; Amphetinile;CRC 82-07; UNII-RC773C3LTD; 2-Amino-3-cyano-5-(phenylthio)indole; RC773C3LTD; 1H-Indole-3-carbonitrile, 2-amino-5-(phenylthio)-; NSC383336; SMR001565319; 2-Amino-5-(phenylthio)-1H-indole-3-carbonitrile; Ici 134,154; cid_146332; SCHEMBL5857833; CHEMBL1709730; BDBM80993; DTXSID50238614; ZINC1592871; ICI 134154; NSC-383336; NCI60_003673; HY-100190; CS-0018184; 2-azanyl-5-phenylsulfanyl-1H-indole-3-carbonitrile; 5-phenylsulphanyl-2-amino-1H-indole-3-carbonitrile; Q9149991"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	383336	.	.	.	.	265.3	C15H11N3S	90.9	358	4	19	2	3	2	"InChI=1S/C15H11N3S/c16-9-13-12-8-11(6-7-14(12)18-15(13)17)19-10-4-2-1-3-5-10/h1-8,18H,17H2"	C1=CC=C(C=C1)SC2=CC3=C(C=C2)NC(=C3C#N)N	LHNIUFUSFGYJEO-UHFFFAOYSA-N
DG50944	"7,8-Dihydro-8-(4-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol"	146591	"116385-23-0; NSC601098; CHEMBL1974685; DTXSID10922027; NSC-601098; 6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-8-(4-methoxyphenyl)-6-methyl-; 7,8-Dihydro-8-(4-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol; NCI60_004513; 8-(4-Methoxyphenyl)-6-methyl-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601098	.	.	.	.	314.3	C18H18O5	57.2	422	3.2	23	1	5	2	"InChI=1S/C18H18O5/c1-18(19)9-14(11-3-5-12(20-2)6-4-11)13-7-16-17(22-10-21-16)8-15(13)23-18/h3-8,14,19H,9-10H2,1-2H3"	CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC=C(C=C4)OC)O	SKEQREZONVCYKI-UHFFFAOYSA-N
DG50945	"2-(7,8-Dihydro-6-methyl-6-(1-pyrrolidinyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-8-yl)-6-methoxyphenol"	146599	"116408-96-9; NSC375505; Oprea1_818465; CHEMBL1974446; SCHEMBL19419799; DTXSID30922044; AKOS024419424; MCULE-3350937928; NSC-375505; 2-(7,8-Dihydro-6-methyl-6-(1-pyrrolidinyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-8-yl)-6-methoxyphenol; NCI60_003525; Phenol, 2-(7,8-dihydro-6-methyl-6-(1-pyrrolidinyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-8-yl)-6-methoxy-; 2-MEO-6-(6-ME-6-PYRROLIDIN-1-YL-2H-6H-(1,3)DIOXOLO(4,5-G)CHROMEN-8-YL)-PHENOL; 2-Methoxy-6-[6-methyl-6-(pyrrolidin-1-yl)-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl]phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	375505	.	.	.	.	383.4	C22H25NO5	60.4	555	4	28	1	6	3	"InChI=1S/C22H25NO5/c1-22(23-8-3-4-9-23)12-16(14-6-5-7-17(25-2)21(14)24)15-10-19-20(27-13-26-19)11-18(15)28-22/h5-7,10-11,16,24H,3-4,8-9,12-13H2,1-2H3"	CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=C(C(=CC=C4)OC)O)N5CCCC5	CRSJWEZUGYNWDK-UHFFFAOYSA-N
DG50946	"1-(7,8-Dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)pyrrolidine"	146604	"116409-04-2; NSC375501; Neuro_000213; CHEMBL1975667; SCHEMBL19419832; DTXSID30922049; AKOS024419430; MCULE-5995420934; NSC-375501; 1-(7,8-Dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)pyrrolidine; NCI60_003522; Pyrrolidine, 1-(7,8-dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)-; 1-[7,4,5-trimethoxyphenyl)-6H-1,3-dioxolo[4,5-g][1]benzopyran-6-yl]pyrollidine; 1-[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-yl]pyrrolidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	375501	.	.	.	.	427.5	C24H29NO6	58.6	587	4.6	31	0	7	5	"InChI=1S/C24H29NO6/c1-14-22(15-9-20(26-2)23(28-4)21(10-15)27-3)16-11-18-19(30-13-29-18)12-17(16)31-24(14)25-7-5-6-8-25/h9-12,14,22,24H,5-8,13H2,1-4H3"	CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC	LRLXUQCQYHLPOQ-UHFFFAOYSA-N
DG50947	"7,8-Dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol"	146605	"116409-05-3; NSC381586; CHEMBL2001947; SCHEMBL19419813; DTXSID40922050; AKOS024419428; MCULE-1626170771; NSC-381586; 6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-; 7,8-Dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol; NCI60_003617; 7,4,5-trimethoxyphenyl)-6H-1,3-dioxolo[4,5-g][1]-benzopyran; 7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	381586	.	.	.	.	374.4	C20H22O7	75.6	489	3.4	27	1	7	4	"InChI=1S/C20H22O7/c1-10-18(11-5-16(22-2)19(24-4)17(6-11)23-3)12-7-14-15(26-9-25-14)8-13(12)27-20(10)21/h5-8,10,18,20-21H,9H2,1-4H3"	CC1C(C2=CC3=C(C=C2OC1O)OCO3)C4=CC(=C(C(=C4)OC)OC)OC	RBDOZECECGJHSC-UHFFFAOYSA-N
DG50948	"1-(7,8-Dihydro-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)pyrrolidine"	146609	"MLS002701869; 116409-20-2; NSC371010; Neuro_000209; CHEMBL1699663; SCHEMBL19419841; DTXSID80922054; AKOS024419435; MCULE-5334087723; NSC-371010; 1-(7,8-Dihydro-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)pyrrolidine; NCI60_003418; Pyrrolidine, 1-(7,8-dihydro-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)-; SMR001565459; 1-(6,7-DI-ME-8-(3,4,5-TRI-MEO-PH)-6H-(1,3)DIOXOLO(4,5-G)CHROMEN-YL)-PYRROLIDINE; 1-[6,7-Dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-yl]pyrrolidine; 6H-1,5-g][1]benzopyran, 7,8-dihydro-6,7- dimethyl-8-(3,4,5-trimethoxyphenyl)-6-(1H-pyrrole-1-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	371010	.	.	.	.	441.5	C25H31NO6	58.6	630	4.8	32	0	7	5	"InChI=1S/C25H31NO6/c1-15-23(16-10-21(27-3)24(29-5)22(11-16)28-4)17-12-19-20(31-14-30-19)13-18(17)32-25(15,2)26-8-6-7-9-26/h10-13,15,23H,6-9,14H2,1-5H3"	CC1C(C2=CC3=C(C=C2OC1(C)N4CCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC	SMDGYUXIZWCCHF-UHFFFAOYSA-N
DG50949	"6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-"	146610	"116409-21-3; NSC600023; CHEMBL1974177; SCHEMBL19419803; DTXSID40922055; NSC-600023; 6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-; 7,8-Dihydro-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol; NCI60_004463; 6H-1,5-g][1]benzopyran-6-ol, 7,8-dihydro- 6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-; 6,7-Dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600023	.	.	.	.	388.4	C21H24O7	75.6	531	3.6	28	1	7	4	"InChI=1S/C21H24O7/c1-11-19(12-6-17(23-3)20(25-5)18(7-12)24-4)13-8-15-16(27-10-26-15)9-14(13)28-21(11,2)22/h6-9,11,19,22H,10H2,1-5H3"	CC1C(C2=CC3=C(C=C2OC1(C)O)OCO3)C4=CC(=C(C(=C4)OC)OC)OC	QSGVFQHJEFDOAR-UHFFFAOYSA-N
DG50950	"1-[6-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine"	146614	"116409-25-7; 1-[6-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine; NSC371002; Podophyllotoxin deriv. (jurd); CHEMBL1981704; SCHEMBL19419781; DTXSID80922059; AKOS024282427; MCULE-9172748893; NSC 371002; NSC-371002; 1-(7,8-Dihydro-6-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)pyrrolidine; NCI60_003417; Pyrrolidine, 1-(7,8-dihydro-6-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)-; 1-[6-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-yl]pyrrolidine; 6H-1,5-g][1]benzopyran, 7,8-dihydro-6-methyl- 6-(1-pyrrolidinyl)-8-(3,4,5-trimethoxyphenyl)-; Pyrrolidine,8-dihydro-6-methyl-8-(3,4,5- trimethoxyphenyl)-6H-1,3-dioxolo[4,5-g][1]benzopyran- 6-yl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	371002	.	.	.	.	427.5	C24H29NO6	58.6	601	4.3	31	0	7	5	"InChI=1S/C24H29NO6/c1-24(25-7-5-6-8-25)13-17(15-9-21(26-2)23(28-4)22(10-15)27-3)16-11-19-20(30-14-29-19)12-18(16)31-24/h9-12,17H,5-8,13-14H2,1-4H3"	CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)N5CCCC5	LCDPJXWAINCJQE-UHFFFAOYSA-N
DG50951	"6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-6-methyl-8-(3,4,5-trimethoxyphenyl)-"	146631	"116409-26-8; NSC381578; CHEMBL1975264; SCHEMBL19419783; DTXSID90922060; NSC-381578; 6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-6-methyl-8-(3,4,5-trimethoxyphenyl)-; 7,8-Dihydro-6-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol; NCI60_003616; 6H-1,5-g][1]benzopyran-6-ol, 7,8-dihydro- 6-methyl-8-(3,4,5-trimethoxyphenyl)-; 8-(3,4,5-Trimethoxyphenyl)-7,8-dihydro-6-methyl-6H-1,3-dioxolo[4,5-g][1]benzopyran-6-ol; 6-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	381578	.	.	.	.	374.4	C20H22O7	75.6	503	3.1	27	1	7	4	"InChI=1S/C20H22O7/c1-20(21)9-13(11-5-17(22-2)19(24-4)18(6-11)23-3)12-7-15-16(26-10-25-15)8-14(12)27-20/h5-8,13,21H,9-10H2,1-4H3"	CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)O	FNMCXUGVHHIANS-UHFFFAOYSA-N
DG50952	"7,8-Dihydro-8-(2-hydroxy-3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol"	146661	"NSC602340; 117211-14-0; NSC 602340; CHEMBL1964362; SCHEMBL19425610; DTXSID30922322; NSC-602340; 7,8-Dihydro-8-(2-hydroxy-3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol; 6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-8-(2-hydroxy-3-methoxyphenyl)-6-methyl-; NCI60_004559; 8-(2-Hydroxy-3-methoxyphenyl)-6-methyl-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602340	.	.	.	.	330.3	C18H18O6	77.4	459	2.8	24	2	6	2	"InChI=1S/C18H18O6/c1-18(20)8-12(10-4-3-5-13(21-2)17(10)19)11-6-15-16(23-9-22-15)7-14(11)24-18/h3-7,12,19-20H,8-9H2,1-2H3"	CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=C(C(=CC=C4)OC)O)O	DZDDYTVGTMPQDK-UHFFFAOYSA-N
DG50953	"7,8-Dihydro-8-(3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol"	146671	"117211-92-4; NSC601100; SCHEMBL7652286; CHEMBL1964734; DTXSID20922331; NSC-601100; 6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-8-(3-methoxyphenyl)-6-methyl-; 7,8-Dihydro-8-(3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol; NCI60_004514; 8-(3-Methoxyphenyl)-6-methyl-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601100	.	.	.	.	314.3	C18H18O5	57.2	430	3.2	23	1	5	2	"InChI=1S/C18H18O5/c1-18(19)9-14(11-4-3-5-12(6-11)20-2)13-7-16-17(22-10-21-16)8-15(13)23-18/h3-8,14,19H,9-10H2,1-2H3"	CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=CC=C4)OC)O	OBEWQTCNLDQARO-UHFFFAOYSA-N
DG50954	"(+/-)-2,3-Dihydro-6-hydroxy-3-(((methylsulfonyl)oxy)methyl)-1H-indole-1-carboxylic acid 1,1-dimethylethyl ester"	147453	"119880-05-6; CHEMBL1964795; DTXSID30923132; NSC676515; NSC-676515; (+/-)-2,3-Dihydro-6-hydroxy-3-(((methylsulfonyl)oxy)methyl)-1H-indole-1-carboxylic acid 1,1-dimethylethyl ester; NCI60_027081; 1-[(t-Butyloxy)carbonyl]-6-hydroxy-3-{[(methanesulfonyl)-oxy]methyl}indoline; tert-Butyl 6-hydroxy-3-{[(methanesulfonyl)oxy]methyl}-2,3-dihydro-1H-indole-1-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676515	.	.	.	.	343.4	C15H21NO6S	102	535	1.6	23	1	6	5	"InChI=1S/C15H21NO6S/c1-15(2,3)22-14(18)16-8-10(9-21-23(4,19)20)12-6-5-11(17)7-13(12)16/h5-7,10,17H,8-9H2,1-4H3"	CC(C)(C)OC(=O)N1CC(C2=C1C=C(C=C2)O)COS(=O)(=O)C	YBIFXPUUHIBODV-UHFFFAOYSA-N
DG50955	Pentamethylmelamine hydrochloride	147623	"Pentamethylmelamine hydrochloride; UNII-MVW40QV81B; 35832-09-8; MVW40QV81B; NSC118742; NSC-118742; 1,3,5-Triazine-2,4,6-triamine, N,N,N',N',N''-pentamethyl-, monohydrochloride; Pentamethylmelamine monoHCl; 2-N,2-N,4-N,4-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride; Pentamethylmelamine monohydrochloride; NSC 118742; Melamine, N2,N2,N4,N4,N6-pentamethyl-; PENTAMETHYLMELAMINE HCL; CHEMBL1970304; SCHEMBL15346326; DTXSID80189367; N,N,N',N',N''-Pentamethyl-1,3,5-triazine-2,4,6-triamine monohydrochloride; Melamine,N2,N4,N4,N6-pentamethyl-, monohydrochloride; Q27284263; 1,5-Triazine-2,4,6-triamine, N,N,N',N',N''-pentamethyl-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118742	.	.	.	.	232.71	C8H17ClN6	57.2	155	.	15	2	6	3	"InChI=1S/C8H16N6.ClH/c1-9-6-10-7(13(2)3)12-8(11-6)14(4)5;/h1-5H3,(H,9,10,11,12);1H"	CNC1=NC(=NC(=N1)N(C)C)N(C)C.Cl	GTXYDUGJWZBXOI-UHFFFAOYSA-N
DG50956	"Methyl 3,4-dichloro-5-nitro-2-furoate"	147711	"methyl 3,4-dichloro-5-nitrofuran-2-carboxylate; 122587-23-9; Methyl 3,4-dichloro-5-nitro-2-furoate; NSC616362; 122587-22-8; 2-Methoxycarbonyl-3,4-dichloro-5-nitrofuran; 2-Furancarboxylicacid,5-amino-3,4-dichloro-,methylester(9CI); CCRIS 8289; CCRIS 8291; Methyl 3,4-dichloro-5-nitro-2-furancarboxylate; methyl 3,4-dichloro-5-nitro-furan-2-carboxylate; Methyl-3,4-dichloro-5-nitro-2-furoate; 2-Furancarboxylic acid, 3,4-dichloro-5-nitro-, methyl ester; CHEMBL1967067; SCHEMBL17183605; DTXSID10924208; ZINC1612999; NSC-616362; NCI60_005061; METHYL 3,4-DICHLORO-5-AMINO-2-FUROATE; 3,4-Dichloro-5-nitro-2-furoic acid methyl ester; Methyl 3,4-dichloro-5-(hydroxy(oxido)amino)-2-furoate; 2-Furancarboxylic acid,4-dichloro-5-nitro-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	616362	.	.	.	.	239.99	C6H3Cl2NO5	85.3	255	2.6	14	0	5	2	InChI=1S/C6H3Cl2NO5/c1-13-6(10)4-2(7)3(8)5(14-4)9(11)12/h1H3	COC(=O)C1=C(C(=C(O1)[N+](=O)[O-])Cl)Cl	AUKVSIJCWIMUMD-UHFFFAOYSA-N
DG50957	Anhydrofusarubin lactol	148043	"Anhydrofusarubin lactol; 119975-66-5; NSC626482; 1,5,10-Trihydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromene-6,9-dione; Neuro_000258; CHEMBL1992442; DTXSID40923163; NCI60_008367; 1H-naphtho[2,3-c]pyran-6,9-dione der.; 1,10-Trihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-6,9-dione; 1,5,10-Trihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-6,9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626482	.	.	.	.	304.25	C15H12O7	113	578	1.9	22	3	7	1	"InChI=1S/C15H12O7/c1-5-3-6-9(15(20)22-5)14(19)10-7(16)4-8(21-2)13(18)11(10)12(6)17/h3-4,15,17,19-20H,1-2H3"	CC1=CC2=C(C(O1)O)C(=C3C(=O)C=C(C(=O)C3=C2O)OC)O	KBYFQSOWBFNZAW-UHFFFAOYSA-N
DG50958	Unii-0I81858vsz	148091	"GL-331; 127882-73-9; UNII-0I81858VSZ; CHEMBL283631; 0I81858VSZ; NSC628672; (5R,5aR,8aS,9S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-nitrophenyl)amino)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-nitrophenyl)amino)-, (5R,5aR,8aS,9S)-; Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[(4-nitrophenyl)amino]-, (5R,5aR,8aS,9S)-; NSC 628672; SCHEMBL5953587; DTXSID40155689; GL331; ZINC8652994; BDBM50524833; GL 331; (5R-(5alpha,5abeta,8aalpha,9beta))-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-nitrophenyl)amino)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one; (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-nitroanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; 5,8,8a,9-Tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-nitrophenyl)amino)-furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, (5R-(5alpha,5abeta,8aalpha,9beta))-; Q27236812; (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5-(4-nitroanilino)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628672	.	.	.	.	520.5	C27H24N2O9	141	863	3.9	38	2	10	5	"InChI=1S/C27H24N2O9/c1-34-21-7-13(8-22(35-2)26(21)30)23-16-9-19-20(38-12-37-19)10-17(16)25(18-11-36-27(31)24(18)23)28-14-3-5-15(6-4-14)29(32)33/h3-10,18,23-25,28,30H,11-12H2,1-2H3/t18-,23+,24-,25+/m0/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)[N+](=O)[O-]	DLROLUIVVKTFPW-LVEBQJTPSA-N
DG50959	Pralatrexate	148121	"Pralatrexate; 146464-95-1; Folotyn; 10-Propargyl-10-deazaaminopterin; HSDB 7786; Pralatrexate(Folotyn); PDX; CHEBI:71223; N-(4-(1-((2,4-Diamino-6-pteridinyl)methyl)-3-butynyl)benzoyl)-L-glutamic acid; (2S)-2-(4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzamido)pentanedioic acid; 146464-95-1 (racemic); L-Glutamic acid, N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-; NSC-754230; (2S)-2-((4-((1RS)-1-((2,4-Diaminopteridin-6-yl)methyl)but-3-ynyl)benzoyl)amino)pentanedioic acid; NCGC00242596-01; (2S)-2-({4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl}amino)pentanedioic acid; (2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]pentanedioic acid; N-{4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl}-L-glutamic acid; N -(4-{1-[(2,4-diaminopteridin-6-yl)methyl]but-3-yn-1-yl}benzoyl)-L-glutamic acid; Folotyn (TN); Pralatrexate [USAN:INN]; pralatrexato; pralatrexatum; DSSTox_CID_28504; DSSTox_RID_82776; N-[4-[1-[(2,4-Diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-L-glutamic Acid; DSSTox_GSID_48578; SCHEMBL21633; GTPL6840; Pralatrexate (JAN/USAN/INN); CHEMBL1201746; DTXSID3048578; SCHEMBL15075302; BCPP000101; EX-A2142; Tox21_112906; 2667AH; BDBM50457437; MFCD00920897; NSC754230; s1497; AKOS015966891; AM84423; CCG-269517; CS-0504; DB06813; NSC 754230; QC-3214; s11194; 10-Propargyl-10-deazaaminopterin, 95%; NCGC00386226-01; AC-28388; BS-15438; HY-10446; CAS-146464-95-1; SW220187-1; D05589; AB00443251-02; AB00443251_04; 464P951; A884505; Q637059; SR-01000941578; J-008227; SR-01000941578-1; L-Glutamic acid, N-(4-(1-((2,4-diamino-6-pteridinyl)methyl)-3-butynyl)benzoyl)-; N-(4-(1-((2,4-Diamino-6-pteridinyl)methyl)-3-butynyl)benzoyl)-L-glutamic acid;Pralatrexate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754230	.	.	.	.	477.5	C23H23N7O5	207	809	-0.9	35	5	11	10	"InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14 ,16-/m0/s1"	C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	OGSBUKJUDHAQEA-WMCAAGNKSA-N
DG50961	2-[4-(7-Chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid	148183	"157435-10-4; XK469; NSC 697887; NSC697887; 157435-10-4 (free); 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid; XK-469; 2-(4-((7-chloroquinoxalin-2-yl)oxy)phenoxy)propanoic acid; 2-(4-((7-Chloro-2-quinoxalinyl)oxy)phenoxy)propanoic acid; 2-[4-[(7-chloro-2-quinoxalinyl)oxy]phenoxy]Propanoic acid; NSC-698216; NSC656889; Propanoic acid, (+/-)-; 157542-92-2; xk-469 free acid; CHEMBL51302; SCHEMBL1958606; XK-469S; 2-(4-((7-Chloro-2-quinoxalinyl)oxy)-phenoxy)-propionic acid; NSC698216; NSC-697887; XK469, >=98% (HPLC), solid; DA-09831; NCI60_019673; NCI60_034965; NCI60_035160; FT-0711452; Q27273813; 2-[4-(7-chloro-2-quinoxalinyl)oxyphenoxy]-propionic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656889	.	.	.	.	344.7	C17H13ClN2O4	81.5	431	3.6	24	1	6	5	"InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-14-7-2-11(18)8-15(14)20-16/h2-10H,1H3,(H,21,22)"	CC(C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=CC(=CC3=N2)Cl	NUQZXROIVGBRGR-UHFFFAOYSA-N
DG50962	Irofulven	148189	"Irofulven; HMAF; MGI 114; 158440-71-2; 6-Hydroxymethylacylfulvene; (-)-Irofulven; NSC 683863; MGI-114; UNII-6B799IH05A; 6B799IH05A; (5'R)-5'-hydroxy-1'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one; NSC-683863; 6-(Hydroxymethyl)acylfulvene; Acylfulvene, 6-(hydroxymethyl)-; Irofulven [USAN:INN]; (hydroxymethyl)acylfulvene; MGI.114; Irofulven (USAN/INN); SCHEMBL8800; CHEMBL118218; DTXSID50166423; CHEBI:135002; ZINC3916310; BDBM50410835; LP-100; NSC683863; AKOS027256650; DB05786; (R)-6'-Hydroxy-3'-(hydroxymethyl)-2',4',6'-trimethylspiro(cyclopropane-1,5'-(5H)inden)-7'(6'H)-one; (R)-6'-hydroxy-3'-(hydroxymethyl)-2',4',6'-trimethylspiro[cyclopropane-1,5'-inden]-7'(6'H)-one; HY-14429; NCI60_030149; Spiro(cyclopropane-1,5'(5H)-inden)-7'(6'H)-one, 6'-hydroxy-3'-(hydroxymethyl)-2',4',6'-trimethyl-, (R)-; CS-0003353; D04614; Q6072197"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683863	.	.	.	.	246.3	C15H18O3	57.5	558	-0.2	18	2	3	1	"InChI=1S/C15H18O3/c1-8-6-10-12(11(8)7-16)9(2)15(4-5-15)14(3,18)13(10)17/h6,16,18H,4-5,7H2,1-3H3/t14-/m0/s1"	CC1=C(C2=C(C3(CC3)[C@@](C(=O)C2=C1)(C)O)C)CO	NICJCIQSJJKZAH-AWEZNQCLSA-N
DG50963	Karenitecin	148202	"Karenitecin; Cositecan; 203923-89-1; Karenitecin (Cositecan); BNP1350; BNP 1350; UNII-24R60NVC41; Cositecan;BNP 1350; BNP-1350; 24R60NVC41; Karenitecin (TN); (19S)-19-ethyl-19-hydroxy-10-(2-trimethylsilylethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione; (S)-4-ethyl-4-hydroxy-11-(2-(trimethylsilyl)ethyl)-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione.; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-11-[2-(trimethylsilyl)ethyl]-, (4S)-; Cositecan [USAN:INN]; Karentecin; Cositecan (USAN); DB 172; SCHEMBL2315201; 7-Trimethylsilylethylcamptothecin; CHEMBL1997373; DTXSID90174340; CHEBI:177492; NSC710270; ZINC169746728; DB05806; NSC-710270; HY-14812; NCI60_038797; CS-0003573; D09327; 923K891; Q27095699; (4S)-4-Ethyl-4-hydroxy-11-(2-(trimethylsilyl)ethyl)-1,12-dihydro-14H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H)-dione; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-11-(2-trimethylsilyl)ethyl)-, (4S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710270	.	.	.	.	448.6	C25H28N2O4Si	79.7	891	.	32	1	5	4	"InChI=1S/C25H28N2O4Si/c1-5-25(30)19-12-21-22-17(13-27(21)23(28)18(19)14-31-24(25)29)15(10-11-32(2,3)4)16-8-6-7-9-20(16)26-22/h6-9,12,30H,5,10-11,13-14H2,1-4H3/t25-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CC[Si](C)(C)C)O	POADTFBBIXOWFJ-VWLOTQADSA-N
DG50964	"Methanesulfonamide, N-(3-methoxy-4-((4-methyl-9-acridinyl)amino)phenyl)-, monomethanesulfonate"	148552	"51963-58-7; Methanesulfonamide, N-(3-methoxy-4-((4-methyl-9-acridinyl)amino)phenyl)-, monomethanesulfonate; NSC150440; NSC 150440; DTXSID50199933; NSC-150440; N-(3-Methoxy-4-((4-methyl-9-acridinyl)amino)phenyl)methanesulfonamide monomethanesulfonate; Methanesulfonamide, monomethanesulfonate (MF1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150440	.	.	.	.	503.6	C23H25N3O6S2	151	745	.	34	3	9	5	"InChI=1S/C22H21N3O3S.CH4O3S/c1-14-7-6-9-17-21(14)23-18-10-5-4-8-16(18)22(17)24-19-12-11-15(13-20(19)28-2)25-29(3,26)27;1-5(2,3)4/h4-13,25H,1-3H3,(H,23,24);1H3,(H,2,3,4)"	CC1=CC=CC2=C(C3=CC=CC=C3N=C12)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC.CS(=O)(=O)O	HVOJSINFDBMIRX-UHFFFAOYSA-N
DG50965	Ellipticine analog	148569	"52238-35-4; ELLIPTICINE ANALOG; 9-Hydroxyellipticine hydrochloride; 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol hydrochloride; UNII-6KBD4FD43H; 6KBD4FD43H; 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hydrochloride; 9-Hydroxyellipticine (hydrochloride); NSC264136; 6H-Pyrido(4,3-b)carbazol-9-ol, 5,11-dimethyl-, monohydrochloride; 6H-Pyrido[4,3-b]carbazol-9-ol, 5,11-dimethyl-, monohydrochloride; 5,11-Dimethyl-6H-pyrido(4,3-b)carbazol-9-ol monohydrochloride; 9-Hydroxyellipticine HCl; NSC 264136; 9 OHE HCl; Ellipticine, hydrochloride; 9-hydroxyellipticine HCl salt; SCHEMBL8821075; DTXSID20966614; 9-Hydroxyellipticine chlorohydrate; BCP11301; CCA23835; EX-A5669; NSC210717; HY-101775A; NSC-210717; NSC-264136; CS-0104586; 6H-Pyrido[4, 5,11-dimethyl-, hydrochloride; 5,11-Dimethyl-6H-pyrido[4,3-b]carbazol-9-ol--hydrogen chloride (1/1); 76448-45-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	210717	.	.	.	.	298.8	C17H15ClN2O	48.9	374	.	21	3	2	0	"InChI=1S/C17H14N2O.ClH/c1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17;/h3-8,19-20H,1-2H3;1H"	CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C.Cl	DLDKVFOKLGPVBT-UHFFFAOYSA-N
DG50966	Amsacrine hydrochloride	148673	"Amsacrine hydrochloride; 54301-15-4; m-Amsa hydrochloride; M-Amsacrine; Amsacrine HCl; Amsacrine (hydrochloride); UNII-U66HX4K4CO; U66HX4K4CO; NSC 141549; N-(4-(Acridin-9-ylamino)-3-methoxyphenyl)methanesulfonamide hydrochloride; MFCD07799963; NCGC00093644-01; 4-(9-Acridinylamino)-N-(methanesulfonyl)-m-anisidine hydrochloride; 54301-15-4 (HCl); Methanesulfone-m-anisidine-4'-((9-acridinyl)amino) hydrochloride; MLS002153376; N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;hydrochloride; NSC-141549; NCI-C03190; SMR000875352; C21H19N3O3S.ClH; CCRIS 9342; Methanesulfone-m-anisidine-4'-[(9-acridinyl)amino] hydrochloride; METHANESULFON-M-ANISIDIDE 4'-(9-ACRIDINYLAMINO)-,; 4'-(9-Acridinylamino)methanesulfon-m-aniside monohydrochloride; Methanesulfon-m-anisidine, 4'-((9-acridinyl)amino)-, hydrochloride; Methanesulfonyl-m-anisidine, 4'-(9-acridinylamino)-, monohydrochloride; N-(4-(9-Acridinylamino)-3-methoxyphenyl)-methanesulfonamide monohydrochloride; N-(4-(9-Acridinylamino)-3-methoxyphenyl)methanesulfonamidemonohydrochloride; DSSTox_CID_17186; DSSTox_RID_79305; DSSTox_GSID_37186; SCHEMBL1320825; acridinyl anisidide hydrochloride; CHEMBL1256655; DTXSID2037186; AOB4198; AMY33399; Tox21_111212; Tox21_500154; 3442AH; HY-13551A; Methanesulfon-m-anisidide, 4'-(9-acridinylamino)-, monohydrochloride; NSC141549; s5627; CCG-221458; CS-1943; LP00154; Methanesulfonamide, N-(4-(9-acridinylamino)-3-methoxyphenyl)-, monohydrochloride (9CI); Methansulfon-m-aniside, monohydrochloride; NCGC00260839-01; LS-14847; CAS-54301-15-4; EU-0100154; FT-0658261; A 9809; Amsacrine hydrochloride, >=98% (TLC), powder; A830090; SR-01000075699; SR-01000075699-1; Q27290741; 4-(9-Acridinylamino)-N-(methanesulfonyl)-m-anisidine Hydrochloride / m-AMSA; N-(4-(9-ACRIDINYLAMINO)-3-METHOXYPHENYL)METHANESULFONAMIDE MONOHYDROCHLORIDE; AMSA hydrochloride;m-AMSA hydrochloride;CI-880 hydrochloride;SN-11841 hydrochloride;acridinyl anisidide hydrochloride; N-[4-(acridin-9-ylamino)-3-methoxy-phenyl]methanesulfonamide; hydron; chloride;Amsacrine hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141549	.	.	.	.	429.9	C21H20ClN3O3S	88.7	601	.	29	3	6	5	"InChI=1S/C21H19N3O3S.ClH/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21;/h3-13,24H,1-2H3,(H,22,23);1H"	COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42.Cl	WDISRLXRMMTXEV-UHFFFAOYSA-N
DG50967	Amsacrine mesylate	148674	"Amsacrine mesylate; CI-880 methylsulfonate; UNII-7LWQ0T63UA; 54301-16-5; SN 11841; 7LWQ0T63UA; N-(4-(9-Acridinylamino)-3-methoxyphenyl)methanesulfonamide methanesulfonate; NSC 154948; 4'-(9-Acridinylamino)-3'-methoxymethanesulfonanilide methanesulfonate; Methanesulfonanilide, 4'-(9-acridinylamino)-3'-methoxy-, methanesulfonate; Methanesulfonamide, N-(4-(9-acridinylamino)-3-methoxyphenyl)-, monomethanesulfonate; CHEMBL3229103; DTXSID70202670; NSC154948; NSC156303; NSC-154948; Q27268539; N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;methanesulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	154948	.	.	.	.	489.6	C22H23N3O6S2	151	693	.	33	3	9	5	"InChI=1S/C21H19N3O3S.CH4O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21;1-5(2,3)4/h3-13,24H,1-2H3,(H,22,23);1H3,(H,2,3,4)"	COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42.CS(=O)(=O)O	KIDGPIWSXHBPDH-UHFFFAOYSA-N
DG50968	o-AMSA monomethanesulfonate	148799	"o-AMSA monomethanesulfonate; 57164-86-0; NSC156306; Methanesulfonamide, N-(4-(9-acridinylamino)-2-methoxyphenyl)-, monomethanesulfonate; NSC 156306; CHEMBL1975570; DTXSID10205807; N-(4-(9-Acridinylamino)-2-methoxyphenyl)methanesulfonamide methanesulfonate; NSC-156306; N-(4-(9-Acridinylamino)-2-methoxyphenyl)methanesulfonamide monomethanesulfonate; N-[4-(acridin-9-ylamino)-2-methoxy-phenyl]methanesulfonamide; methanesulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	156306	.	.	.	.	489.6	C22H23N3O6S2	151	693	.	33	3	9	5	"InChI=1S/C21H19N3O3S.CH4O3S/c1-27-20-13-14(11-12-19(20)24-28(2,25)26)22-21-15-7-3-5-9-17(15)23-18-10-6-4-8-16(18)21;1-5(2,3)4/h3-13,24H,1-2H3,(H,22,23);1H3,(H,2,3,4)"	COC1=C(C=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)NS(=O)(=O)C.CS(=O)(=O)O	XTGHQDVFUMUYSW-UHFFFAOYSA-N
DG50969	"Sulfanilanilide, 4'-(9-acridinylamino)-"	148802	"Sulfanilanilide, 4'-(9-acridinylamino)-; 57164-91-7; 57164-61-1; 4'-(9-Acridinylamino)sulfanilanilide; BRN 0460107; CHEMBL48441; DTXSID40205810; Sulfanilanilide, monohydrochloride; ZINC5008936; NSC140701; NSC-140701; 4-Amino-N-[4-(9-acridinylamino)phenyl]benzenesulfonamide; 4'-(9-ACRIDINYLAMINO)SULFANILANILIDE, MONOHYDROCHLORIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	140701	.	.	.	.	440.5	C25H20N4O2S	106	688	4.9	32	3	6	5	"InChI=1S/C25H20N4O2S/c26-17-9-15-20(16-10-17)32(30,31)29-19-13-11-18(12-14-19)27-25-21-5-1-3-7-23(21)28-24-8-4-2-6-22(24)25/h1-16,29H,26H2,(H,27,28)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)N	VJNNPHQBMGZVQG-UHFFFAOYSA-N
DG50970	"Methanesulfonamide, N-(4-(9-acridinylamino)phenyl)-, monomethanesulfonate"	148869	"NSC156305; Methanesulfonamide, N-(4-(9-acridinylamino)phenyl)-, monomethanesulfonate; NSC-156305; 59987-92-7; N-(4-(9-Acridinylamino)phenyl)methanesulfonamide monomethanesulfonate; CHEMBL1567435; DTXSID50208690; Methanesulfonamide, methanesulfonate; CCG-37423; NCGC00014426; NCI156305; NCGC00014426-02; NCGC00097531-01; N-(4-(9-acridinylamino)phenyl)methanesulfonamide methanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	156305	.	.	.	.	459.5	C21H21N3O5S2	142	639	.	31	3	8	4	"InChI=1S/C20H17N3O2S.CH4O3S/c1-26(24,25)23-15-12-10-14(11-13-15)21-20-16-6-2-4-8-18(16)22-19-9-5-3-7-17(19)20;1-5(2,3)4/h2-13,23H,1H3,(H,21,22);1H3,(H,2,3,4)"	CS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42.CS(=O)(=O)O	RXTLRPVFJCADPD-UHFFFAOYSA-N
DG50971	"Propanesulfonamide, N-(4-(acridin-9-ylamino)-3-methoxyphenyl)-, methanesulfonate"	148870	"MLS002702096; Propanesulfonamide, N-(4-(acridin-9-ylamino)-3-methoxyphenyl)-, methanesulfonate; 59988-03-3; NSC243929; 4'-(9-Acridinylamino)-3'-methoxy-1-propanesulfonanilide methanesulfonate; 1-Propanesulfonanilide, 4'-(9-acridinylamino)-3'-methoxy-, methanesulfonate; CHEMBL1713613; DTXSID70208692; NSC-243929; 1-Propanesulfonamide, monomethanesulfonate; SMR001565664"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	243929	.	.	.	.	517.6	C24H27N3O6S2	151	723	.	35	3	9	7	"InChI=1S/C23H23N3O3S.CH4O3S/c1-3-14-30(27,28)26-16-12-13-21(22(15-16)29-2)25-23-17-8-4-6-10-19(17)24-20-11-7-5-9-18(20)23;1-5(2,3)4/h4-13,15,26H,3,14H2,1-2H3,(H,24,25);1H3,(H,2,3,4)"	CCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC.CS(=O)(=O)O	GJANYQFETOVQHN-UHFFFAOYSA-N
DG50972	Antibiotic UK 63052	149070	"Antibiotic UK 63052; NSC630678; 120763-23-7; Streptomyces antibiotic UK-63052; UK 63,052; Antibiotic UK-63052; Neuro_000276; STREPTOMYCES ANTIBIOTIC; CHEMBL1988760; NSC-630678; NCI60_009979; UK-63052; 3-hydroxy-N-[[(3-hydroxyquinoline-2-carbonyl)amino]-octamethyl-octaoxo-sec-butylsulfanyl-dispiro[[ ]]yl]quinoline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630678	.	.	.	.	1169.3	C56H68N10O14S2	367	2480	5.3	82	6	18	7	"InChI=1S/C56H68N10O14S2/c1-11-29(4)82-52-43-51(76)66(10)56(23-28(56)3)54(78)80-25-36(61-46(71)41-39(67)20-32-16-12-14-18-34(32)59-41)44(69)57-30(5)48(73)63(7)38(26-81-52)50(75)65(9)55(22-27(55)2)53(77)79-24-37(45(70)58-31(6)49(74)64(43)8)62-47(72)42-40(68)21-33-17-13-15-19-35(33)60-42/h12-21,27-31,36-38,43,52,67-68H,11,22-26H2,1-10H3,(H,57,69)(H,58,70)(H,61,71)(H,62,72)"	CCC(C)SC1C2C(=O)N(C3(CC3C)C(=O)OCC(C(=O)NC(C(=O)N(C(CS1)C(=O)N(C4(CC4C)C(=O)OCC(C(=O)NC(C(=O)N2C)C)NC(=O)C5=NC6=CC=CC=C6C=C5O)C)C)C)NC(=O)C7=NC8=CC=CC=C8C=C7O)C	VABRZWDEEDQLRD-UHFFFAOYSA-N
DG50973	Antineoplastic-D630679	149075	"ANTINEOPLASTIC-D630679; NSC630679; 120796-23-8; UK 63598; UK 63,598; UK-63598; CHEMBL1979402; Streptomyces antibiotic UK-63598; NSC-630679; NCI60_009980; 3-hydroxy-N-[[(3-hydroxyquinoline-2-carbonyl)amino]-octamethyl-methylsulfanyl-octaoxo-dispiro[[ ]]yl]quinoline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630679	.	.	.	.	1127.3	C53H62N10O14S2	367	2410	3.9	79	6	18	5	"InChI=1S/C53H62N10O14S2/c1-25-20-52(25)50(74)76-22-34(59-44(69)39-37(65)19-30-15-11-13-17-32(30)57-39)42(67)55-28(4)46(71)61(6)40-48(73)63(8)53(21-26(53)2)51(75)77-23-33(58-43(68)38-36(64)18-29-14-10-12-16-31(29)56-38)41(66)54-27(3)45(70)60(5)35(47(72)62(52)7)24-79-49(40)78-9/h10-19,25-28,33-35,40,49,64-65H,20-24H2,1-9H3,(H,54,66)(H,55,67)(H,58,68)(H,59,69)"	CC1CC12C(=O)OCC(C(=O)NC(C(=O)N(C3C(SCC(C(=O)N2C)N(C(=O)C(NC(=O)C(COC(=O)C4(CC4C)N(C3=O)C)NC(=O)C5=NC6=CC=CC=C6C=C5O)C)C)SC)C)C)NC(=O)C7=NC8=CC=CC=C8C=C7O	HBQDLHJADJTNRK-UHFFFAOYSA-N
DG50974	Antineoplastic-630680	149080	"ANTINEOPLASTIC-630680; NSC630680; 120832-02-2; UK-65662; UK 66,652; CHEMBL2003493; Streptomyces antibiotic UK-65662; NSC-630680; NCI60_009981; Antibiotic UK 63052, 7-(3-mercapto-N-methyl-S-(1-methylethyl)cysteine)-; 3-hydroxy-N-[[(3-hydroxyquinoline-2-carbonyl)amino]-isopropylsulfanyl-octamethyl-octaoxo-dispiro[[ ]]yl]quinoline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630680	.	.	.	.	1155.3	C55H66N10O14S2	367	2460	4.7	81	6	18	6	"InChI=1S/C55H66N10O14S2/c1-26(2)81-51-42-50(75)65(10)55(22-28(55)4)53(77)79-24-35(60-45(70)40-38(66)19-31-15-11-13-17-33(31)58-40)43(68)56-29(5)47(72)62(7)37(25-80-51)49(74)64(9)54(21-27(54)3)52(76)78-23-36(44(69)57-30(6)48(73)63(42)8)61-46(71)41-39(67)20-32-16-12-14-18-34(32)59-41/h11-20,26-30,35-37,42,51,66-67H,21-25H2,1-10H3,(H,56,68)(H,57,69)(H,60,70)(H,61,71)"	CC1CC12C(=O)OCC(C(=O)NC(C(=O)N(C3C(SCC(C(=O)N2C)N(C(=O)C(NC(=O)C(COC(=O)C4(CC4C)N(C3=O)C)NC(=O)C5=NC6=CC=CC=C6C=C5O)C)C)SC(C)C)C)C)NC(=O)C7=NC8=CC=CC=C8C=C7O	HDMUZLQWDPUHND-UHFFFAOYSA-N
DG50975	"1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-"	149592	"NSC673791; 1,3-Propanediamine,  N-hexyl-N'-(1-nitro-9-acridinyl)-; 81483-79-6; N-hexyl-N'-(1-nitroacridin-9-yl)propane-1,3-diamine; CHEMBL1964528; DTXSID80231133; NSC-673791; NCI60_026112; 9,10-Dihydro-1-nitro-9-[[3-(hexylamino)propyl]imino]acridine; 9-((3-(Hexylamino)propyl)amino)-1-(hydroxy(oxido)amino)acridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673791	.	.	.	.	380.5	C22H28N4O2	82.8	470	6.2	28	2	5	10	"InChI=1S/C22H28N4O2/c1-2-3-4-7-14-23-15-9-16-24-22-17-10-5-6-11-18(17)25-19-12-8-13-20(21(19)22)26(27)28/h5-6,8,10-13,23H,2-4,7,9,14-16H2,1H3,(H,24,25)"	CCCCCCNCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]	NSZWREFZGBFSJX-UHFFFAOYSA-N
DG50976	"N-(1-Methylethyl)-N'-(1-nitro-9-acridinyl)-1,3-propanediamine"	149747	"NSC673790; 64670-74-2; CHEMBL1993871; DTXSID70983295; ZINC5493360; NSC-673790; NCI60_026111; N'-isopropyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine; 1,3-Propanediamine, N-(1-methylethyl)-N'-(1-nitro-9-acridinyl)-; N-(1-Methylethyl)-N'-(1-nitro-9-acridinyl)-1,3-propanediamine; 1-(Hydroxy(oxido)amino)-9-((3-(isopropylamino)propyl)amino)acridine; 3-[(1-Nitroacridin-9(10H)-ylidene)amino]-N-(propan-2-yl)propan-1-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673790	.	.	.	.	338.4	C19H22N4O2	82.8	440	4.6	25	2	5	6	"InChI=1S/C19H22N4O2/c1-13(2)20-11-6-12-21-19-14-7-3-4-8-15(14)22-16-9-5-10-17(18(16)19)23(24)25/h3-5,7-10,13,20H,6,11-12H2,1-2H3,(H,21,22)"	CC(C)NCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]	QXNCBKQFKXJKGD-UHFFFAOYSA-N
DG50977	"N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide monohydrochloride"	149896	"81086-04-6; NSC331757; N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide monohydrochloride; CHEMBL544825; NSC 331757; NSC-331757; 2-Anthracenecarboxamide, N-(4-(diethylamino)-1-methylbutyl)-9,10-dihydro-9,10-dioxo-, monohydrochloride; DS-011584; 2-Anthracenecarboxamide,10-dihydro-9,10-dioxo-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	331757	.	.	.	.	428.9	C24H29ClN2O3	66.5	601	.	30	2	4	8	"InChI=1S/C24H28N2O3.ClH/c1-4-26(5-2)14-8-9-16(3)25-24(29)17-12-13-20-21(15-17)23(28)19-11-7-6-10-18(19)22(20)27;/h6-7,10-13,15-16H,4-5,8-9,14H2,1-3H3,(H,25,29);1H"	CCN(CC)CCCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O.Cl	YUZNGCKGMHDGCG-UHFFFAOYSA-N
DG50978	"Carbamic acid, (5-amino-1,2-dihydro-3-(4-methoxyphenyl)pyrido(3,4-b)pyrazin-7-yl)-, ethyl ester"	150003	"82586-00-3; NSC332890; Carbamic acid, (5-amino-1,2-dihydro-3-(4-methoxyphenyl)pyrido(3,4-b)pyrazin-7-yl)-, ethyl ester; CHEMBL9740; SCHEMBL10912762; DTXSID60231898; ZINC18164906; Ethyl (5-amino-1,2-dihydro-3-(4-methoxyphenyl)pyrido(3,4-b)pyrazin-7-yl)carbamate; ethyl N-[5-amino-3-(4-methoxyphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate; NCI60_002915; (5-Amino-1,2-dihydro-3-(4-methoxyphenyl)pyrido[3,4-d]pyrazin-7-yl)carbamic acid, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332890	.	.	.	.	341.4	C17H19N5O3	111	493	2	25	3	7	5	"InChI=1S/C17H19N5O3/c1-3-25-17(23)22-14-8-12-15(16(18)21-14)20-13(9-19-12)10-4-6-11(24-2)7-5-10/h4-8,19H,3,9H2,1-2H3,(H3,18,21,22,23)"	CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC=C(C=C3)OC)N	DNVPMVJYQWFBIK-UHFFFAOYSA-N
DG50979	"Carbamic acid, (5-amino-1,2-dihydro-3-(2-naphthalenyl)pyrido(3,4-b)pyrazin-7-yl)-, ethyl ester"	150031	"83269-07-2; NSC347217; Carbamic acid, (5-amino-1,2-dihydro-3-(2-naphthalenyl)pyrido(3,4-b)pyrazin-7-yl)-, ethyl ester; Carbamic acid, [5-amino-1,2-dihydro-3-(2-naphthalenyl)pyrido[3,4-b]pyrazin-7-yl]-, ethyl ester; CHEMBL107832; SCHEMBL10912933; DTXSID50232238; ZINC5463816; Ethyl (5-amino-1,2-dihydro-3-(2-naphthalenyl)pyrido(3,4-b)pyrazin-7-yl)carbamate; (5-Amino-1,2-dihydro-3-(2-naphthalenyl)pyrido(3,4-b)pyrazin-7-yl)-, carbamic acid, ethyl ester; NCI60_003083; ethyl N-[5-amino-3-(2-naphthyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate; N-[(5-Amino-1,2-dihydro-3-(2-naphthalenyl)pyrido[3,4-b]pyrazin)-7-yl]carbamic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	347217	.	.	.	.	361.4	C20H19N5O2	102	569	3.2	27	3	6	4	"InChI=1S/C20H19N5O2/c1-2-27-20(26)25-17-10-15-18(19(21)24-17)23-16(11-22-15)14-8-7-12-5-3-4-6-13(12)9-14/h3-10,22H,2,11H2,1H3,(H3,21,24,25,26)"	CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC4=CC=CC=C4C=C3)N	JKAYWEXACKGUEA-UHFFFAOYSA-N
DG50980	"4-Acridinecarboxamide, 9-amino-N-[2-(dimethylamino)ethyl]-5-methyl-"	150223	"89459-51-8; NSC683247; 4-Acridinecarboxamide, 9-amino-N-[2-(dimethylamino)ethyl]-5-methyl-; CHEMBL145586; SCHEMBL7043113; DTXSID60276421; NCI60_029801; 9-Amino-N-(2-(dimethylamino)ethyl)-5-methylacridine-4-carboxamide; 9-amino-N-(2-dimethylaminoethyl)-5-methyl-acridine-4-carboxamide; N-[2-(Dimethylamino)ethyl]-5-methyl-9-aminoacridine-4-carboxamide; 9-Amino-N-(2-(dimethylamino)ethyl)-5-methyl-4-acridinecarboxamide hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683247	.	.	.	.	322.4	C19H22N4O	71.2	441	2.5	24	2	4	4	"InChI=1S/C19H22N4O/c1-12-6-4-7-13-16(20)14-8-5-9-15(18(14)22-17(12)13)19(24)21-10-11-23(2)3/h4-9H,10-11H2,1-3H3,(H2,20,22)(H,21,24)"	CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCN(C)C)N	GZQOFEOTVUDSLP-UHFFFAOYSA-N
DG50981	"3,3',4',5,6,7,8-Heptamethoxyflavone"	150893	"1178-24-1; 3,3',4',5,6,7,8-Heptamethoxyflavone; 3,5,6,7,8,3',4'-Heptamethoxyflavone; 3-Methoxynobiletin; 2-(3,4-Dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-4H-chromen-4-one; 3-Hptmf; Hepta-3; 3,5,6,7,8,3',4'-heptemthoxyflavone; UNII-288R4CAV1V; 2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-; CHEMBL77993; 288R4CAV1V; 3, 5, 6, 7, 8, 3', 4'- Heptemthoxyflavone; CCRIS 8454; NSC618928; SCHEMBL1764676; DTXSID70151912; CHEBI:176100; HY-N2038; ZINC1614080; BDBM50064900; LMPK12113345; MFCD00210513; AKOS016010685; NSC-618928; AC-34643; AS-72641; NCI60_005664; 3,5,6,7,8,3'',4''-heptamethoxyflavone; 3,5,6,7,8,3',4'-Heptamethoxy-Flavone; 5.3,5,6,7,8,3',4'-Heptamethoxyflavone; CS-0018528; FT-0775347; Y0013; Flavone, 3,3',4',5,6,7,8-heptamethoxy-; A925612; Q27254290; 2-(3,4-Dimethoxy-phenyl)-3,5,6,7,8-pentamethoxy-chromen-4-one; 2-(3,4-Dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-4H-1-benzopyran-4-one; 3,5,6,7,8,3 inverted exclamation mark ,4 inverted exclamation mark -HEPTEMTHOXYFLAVONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618928	.	.	.	.	432.4	C22H24O9	90.9	651	3.2	31	0	9	8	"InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3"	COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC	SSXJHQZOHUYEGD-UHFFFAOYSA-N
DG50982	Exatecan	151115	"Exatecan; 171335-80-1; UNII-OC71PP0F89; DX-8951f; OC71PP0F89; C24H22FN3O4; (1S,9S)-1-Amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10H,13H-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione; Exatecan [INN]; Dx 8951; DX-8951; exatecan-mesylate; (1s,9s)-1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10h,13h-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione; SCHEMBL2512959; CHEMBL1614650; DTXSID60169061; CHEBI:135709; EX-A2683; ZINC3800855; 3663AH; NSC829066; AKOS005146469; BCP9000674; DB12185; NSC-829066; 10H,13H-Benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione, 1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-, (1S,9S)-; 10H,13H-Benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione, 1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-, (1S-trans)-; AC-32495; HY-13631; DB-064817; DX8951;DX 8951;DX-8951; 335E801; J-521361; Q5419343; (10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	829066	.	.	.	.	435.4	C24H22FN3O4	106	950	0.4	32	2	7	1	"InChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O	ZVYVPGLRVWUPMP-FYSMJZIKSA-N
DG50983	4'-(9-Acridinylamino)-3'-methoxyethanesulfonanilide methanesulfonate	151601	"NSC243928; 59988-01-1; Ethanesulfonamide, N-(4-(acridinyl-9-ylamino)-3-methoxyphenyl)-, methanesulfonate; NSC 243928; 4'-(9-Acridinylamino)-3'-methoxyethanesulfonanilide methanesulfonate; Ethanesulfonanilide, 4'-(9-acridinylamino)-3'-methoxy-, methanesulfonate; CHEMBL1966038; SCHEMBL22401407; DTXSID10208691; CCG-36167; Ethanesulfonamide, monomethanesulfonate; NSC-243928; Ethanesulfonamide, N-(4-(9-acridinylamino)-3-methoxyphenyl)-, monomethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	243928	.	.	.	.	503.6	C23H25N3O6S2	151	708	.	34	3	9	6	"InChI=1S/C22H21N3O3S.CH4O3S/c1-3-29(26,27)25-15-12-13-20(21(14-15)28-2)24-22-16-8-4-6-10-18(16)23-19-11-7-5-9-17(19)22;1-5(2,3)4/h4-14,25H,3H2,1-2H3,(H,23,24);1H3,(H,2,3,4)"	CCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC.CS(=O)(=O)O	HPURJIOSFDKFBF-UHFFFAOYSA-N
DG50984	"2,3-Dibromo-3-phenylpropanal"	151715	"2,3-dibromo-3-phenylpropanal; 62248-40-2; alpha,beta-Dibromobenzenepropanal; Benzenepropanal, alpha,beta-dibromo-; NSC155556; 2,3-dibromo-3-phenyl-propanal; DTXSID20977821; Hydrocinnamaldehyde,.beta.-dibromo-; 2,3-Dibromo-3-phenylpropionaldehyde; 2,3-dibromo-3-phenyl-propionaldehyde; AKOS015917402; NSC 155556; NSC-155556; FT-0659808; A833673"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	155556	.	.	.	.	291.97	C9H8Br2O	17.1	144	2.8	12	0	1	3	"InChI=1S/C9H8Br2O/c10-8(6-12)9(11)7-4-2-1-3-5-7/h1-6,8-9H"	C1=CC=C(C=C1)C(C(C=O)Br)Br	DVHARADPZCQQHR-UHFFFAOYSA-N
DG50985	7-Deoxynogalarol	151719	"7-Deoxynogalarol; 62422-00-8; NSC114345; NSC-114345; DEOXYNOGALAROL,7-; U 27744; 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 3,4,5,6,9,11,12,13,14,16-decahydro-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester; CHEMBL351928; DTXSID30978001; NSC 114345; 2,2-b]oxocin-14-carboxylic acid, 4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester; methyl 4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-14-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114345	.	.	.	.	569.6	C29H31NO11	183	1120	1.5	41	5	12	3	"InChI=1S/C29H31NO11/c1-28(38)7-6-10-11(18(28)26(37)39-5)8-12-15(20(10)32)22(34)16-14(31)9-13-24(17(16)21(12)33)40-27-23(35)19(30(3)4)25(36)29(13,2)41-27/h8-9,18-19,23,25,27,31-32,35-36,38H,6-7H2,1-5H3"	CC1(CCC2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C5C(=CC(=C4C3=O)O)C6(C(C(C(C(O5)O6)O)N(C)C)O)C)O)O	LIUWFJINGKUEER-UHFFFAOYSA-N
DG50986	"1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione,7-amino-4-ethyl-4-hydroxy-, (4S)-"	151793	"12-Aminocamptothecin; 58546-28-4; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione,7-amino-4-ethyl-4-hydroxy-, (4S)-; 12-Amino-20(S)-camptohecin; CHEMBL76033; SCHEMBL7677097; 12-Amino-20(S)-camptothecin; DTXSID10207260; NSC603073; NSC-603073; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 7-amino-4-ethyl-4-hydroxy-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603073	.	.	.	.	363.4	C20H17N3O4	106	775	0.3	27	2	6	1	"InChI=1S/C20H17N3O4/c1-2-20(26)13-7-15-17-11(6-10-4-3-5-14(21)16(10)22-17)8-23(15)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C(=C4)C=CC=C5N)O	QPUDSTGASYNWEO-FQEVSTJZSA-N
DG50987	"1,7-Heptanediamine, N,N'-bis(2-methyl-7-nitro-4-quinolinyl)-, dihydrochloride"	152086	"MLS002702120; SMR001565687; NSC272346; 1,7-Heptanediamine, N,N'-bis(2-methyl-7-nitro-4-quinolinyl)-, dihydrochloride; 64335-06-4; cid_152086; CHEMBL1724558; BDBM95144; ZINC1561190; NCI60_002223; N,N'-bis(2-methyl-7-nitro-4-quinolyl)heptane-1,7-diamine; N,N''-bis(2-methyl-7-nitro-4-quinolinyl)heptane-1,7-diamine; N,N''-bis(2-methyl-7-nitro-quinolin-4-yl)heptane-1,7-diamine; N,N''-bis(2-methyl-7-nitroquinolin-4-yl)heptane-1,7-diamine; (2-methyl-7-nitro-4-quinolyl)-[7-[(2-methyl-7-nitro-4-quinolyl)amino]heptyl]amine; 7-(Hydroxy(oxido)amino)-4-((7-((7-(hydroxy(oxido)amino)-2-methyl-4-quinolinyl)amino)heptyl)amino)-2-methylquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	272346	.	.	.	.	502.6	C27H30N6O4	142	685	6.6	37	2	8	10	"InChI=1S/C27H30N6O4/c1-18-14-24(22-10-8-20(32(34)35)16-26(22)30-18)28-12-6-4-3-5-7-13-29-25-15-19(2)31-27-17-21(33(36)37)9-11-23(25)27/h8-11,14-17H,3-7,12-13H2,1-2H3,(H,28,30)(H,29,31)"	CC1=CC(=C2C=CC(=CC2=N1)[N+](=O)[O-])NCCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)[N+](=O)[O-]	SERWLEHIUCZSFH-UHFFFAOYSA-N
DG50988	"N-(2,4-Dinitroanilino)maleimide"	152320	"N-(2,4-Dinitroanilino)maleimide; 20970-35-8; 1-(2,4-dinitroanilino)pyrrole-2,5-dione; NSC653499; UNII-AU6NVT4C78; AU6NVT4C78; 1-[(2,4-dinitrophenyl)amino]-1H-pyrrole-2,5-dione; 1-(2,4-DINITRO-PHENYLAMINO)-PYRROLE-2,5-DIONE; N-DAM; UPCMLD00WCRH1-265; CHEMBL1990809; DTXSID80175149; ZINC4566262; STK332221; AKOS005439360; MCULE-8665969429; NSC 653499; NSC-653499; NCI60_018660; 1H-Pyrrole-2,5-dione, 1-((2,4-dinitrophenyl)amino)-; 1-(2,4-Bis(hydroxy(oxido)amino)anilino)-1H-pyrrole-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653499	.	.	.	.	278.18	C10H6N4O6	141	475	1.6	20	1	7	2	"InChI=1S/C10H6N4O6/c15-9-3-4-10(16)12(9)11-7-2-1-6(13(17)18)5-8(7)14(19)20/h1-5,11H"	C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN2C(=O)C=CC2=O	NBLHPQHLKDLIKS-UHFFFAOYSA-N
DG50989	"N(4)-(7-((7-Amino-2-methyl-4-quinolinyl)amino)heptyl)-2-methyl-4,7-quinolinediamine"	152481	"NSC273829; 75919-74-3; NSC-273829; CHEMBL1980272; N(4)-(7-((7-Amino-2-methyl-4-quinolinyl)amino)heptyl)-2-methyl-4,7-quinolinediamine; 4, N(4),N(4')-1,7-heptanediylbis(2-methyl-; 4, N(4),N(4')-1,7-heptanediylbis[2-methyl-; NSC 273829; NCIMech_000409; DTXSID80226842; BDBM50515989; CCG-35558; NCI60_002231; 4, N4,N4'-1,7-heptanediylbis[2-methyl-; N,N'-Bis(2-methyl-7-amino-4-quinolinyl)-1,7-heptanediamine; 4, 7-Quinolinediamine, {N4,N4'-1,7-heptanediylbis[2-methyl-}; 4, 7-Quinolinediamine, N(4),N(4')-1,7-heptanediylbis(2-methyl-; 4, 7-Quinolinediamine, {N(4),N(4')-1,7-heptanediylbis[2-methyl-}; N~4~-(7-((7-Amino-2-methyl-4-quinolinyl)amino)heptyl)-2-methyl-4,7-quinolinediamine; N4-[7-[(7-amino-2-methyl-4-quinolyl)amino]heptyl]-2-methyl-quinoline-4,7-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	273829	.	.	.	.	442.6	C27H34N6	102	525	5.5	33	4	6	10	"InChI=1S/C27H34N6/c1-18-14-24(22-10-8-20(28)16-26(22)32-18)30-12-6-4-3-5-7-13-31-25-15-19(2)33-27-17-21(29)9-11-23(25)27/h8-11,14-17H,3-7,12-13,28-29H2,1-2H3,(H,30,32)(H,31,33)"	CC1=CC(=C2C=CC(=CC2=N1)N)NCCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)N	QZWSSKXXZSJIMA-UHFFFAOYSA-N
DG50990	"4,7-Quinolinediamine, N4,N4'-1,8-octanediylbis[2-methyl-, diacetate"	152483	"CHEMBL2008533; NSC270904; ZINC1560989; BDBM50515999; NCI60_002216; 4,7-Quinolinediamine, {N4,N4'-1,8-octanediylbis[2-methyl-,} diacetate; 4,7-Quinolinediamine, N4,N4'-1,8-octanediylbis[2-methyl-, diacetate; N4-[8-[(7-amino-2-methyl-4-quinolyl)amino]octyl]-2-methyl-quinoline-4,7-diamine; N~4~-(8-((7-Amino-2-methyl-4-quinolinyl)amino)octyl)-2-methyl-4,7-quinolinediamine acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	270904	.	.	.	.	456.6	C28H36N6	102	537	6.1	34	4	6	11	"InChI=1S/C28H36N6/c1-19-15-25(23-11-9-21(29)17-27(23)33-19)31-13-7-5-3-4-6-8-14-32-26-16-20(2)34-28-18-22(30)10-12-24(26)28/h9-12,15-18H,3-8,13-14,29-30H2,1-2H3,(H,31,33)(H,32,34)"	CC1=CC(=C2C=CC(=CC2=N1)N)NCCCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)N	HGSBWBMDTHBWMP-UHFFFAOYSA-N
DG50991	NSC301477	152904	"7-(4-amino-5-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; 77121-90-5; NSC301477; Neuro_000152; 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-4-O-methyl-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-; 7-(4-amino-5-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	301477	.	.	.	.	557.5	C28H31NO11	195	993	1.8	40	5	12	6	"InChI=1S/C28H31NO11/c1-11-27(38-3)14(29)7-18(39-11)40-16-9-28(36,17(31)10-30)8-13-20(16)26(35)22-21(24(13)33)23(32)12-5-4-6-15(37-2)19(12)25(22)34/h4-6,11,14,16,18,27,30,33,35-36H,7-10,29H2,1-3H3"	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)OC	TUEYGBZZQFXBOS-UHFFFAOYSA-N
DG50992	Sapacitabine	153970	"Sapacitabine; 151823-14-2; CS-682; CYC682; CYC-682; CS682; CS 682; UNII-W335P73C3L; PCNDAC; CYC 682; W335P73C3L; N-(1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)-1,2-dihydro-2-oxo-4-pyrimidinyl)hexadecanamide; N-(1-((2R,3S,4S,5R)-3-cyano-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)palmitamide; Sapacitabine [USAN:INN]; sapacitabina; sapacitabinum; Sapacitabine (CYC682); Sapacitabine (USAN/INN); N-[1-[(2R,3S,4S,5R)-3-cyano-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]hexadecanamide; SCHEMBL711854; CHEMBL2105681; DTXSID90164887; CHEBI:145429; EX-A1617; NSC791785; ZINC14263648; DB06365; NSC-791785; Hexadecanamide, N-(1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)-1,2-dihydro-2-oxo-4-pyrimidinyl)-; HY-16445; CS-0006340; D09722; 823S142; Q7420893; 2'-C-cyano-2'-deoxy-1-arabinofuranosyl-N(4)-palmitoylcytosine; 1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)-4-(hexadecanoylamino)pyrimidin-2(1H)-one; N-[1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-4-yl]hexadecanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791785	.	.	.	.	490.6	C26H42N4O5	135	775	5.2	35	3	6	17	"InChI=1S/C26H42N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(32)28-22-16-17-30(26(34)29-22)25-20(18-27)24(33)21(19-31)35-25/h16-17,20-21,24-25,31,33H,2-15,19H2,1H3,(H,28,29,32,34)/t20-,21+,24-,25+/m0/s1"	CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)C#N	LBGFKUUHOPIEMA-PEARBKPGSA-N
DG50993	"5-((3-(Diethylamino)propyl)amino)-8-hydroxy-1-methyl-6H-imidazo(4,5,1-de)acridin-6-one"	154500	"5-((3-(Diethylamino)propyl)amino)-8-hydroxy-1-methyl-6H-imidazo(4,5,1-de)acridin-6-one; 138154-44-6; CCRIS 7542; CHEMBL334101; SCHEMBL13431063; DTXSID40160511; NSC647751; NSC-647751; NCI60_016607; C-1336"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647751	.	.	.	.	378.5	C22H26N4O2	70.4	555	4.3	28	2	5	7	"InChI=1S/C22H26N4O2/c1-4-25(5-2)12-6-11-23-17-8-9-18-21-20(17)22(28)16-13-15(27)7-10-19(16)26(21)14(3)24-18/h7-10,13,23,27H,4-6,11-12H2,1-3H3"	CCN(CC)CCCNC1=C2C3=C(C=C1)N=C(N3C4=C(C2=O)C=C(C=C4)O)C	QLYLRFLMYPPPSP-UHFFFAOYSA-N
DG50994	Epicorazine A	155232	"Epicorazine A; 62256-05-7; Epicorazine B; 5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosa-6,16-diene-2,8,12,18-tetrone; 69176-72-3; CHEMBL2001430; SCHEMBL17971327; DTXSID10977830; NSC287069; NSC 287069; NSC-287069; 4,11-Dihydroxy-4,4a,7,7a,11,11a,14,14a-octahydro-1H,6H,8H,13H-6a,13a-epidithiopyrazino[1,2-a:4,5-a']diindole-1,6,8,13-tetrone; 8H,13H-6a,13a-Epidithio-1H,6H-pyrazino(1,2-a:4,5-a')diindole-1,6,8,13-tetrone, 4,4a,7,7a,11,11a,14,14a-octahydro-4,11-dihydroxy-, (4S-(4alpha,4aalpha,6abeta,7aalpha,11alpha,11aalpha,13abeta,14abeta))-; 8H,13H-6a,13a-Epidithio-1H,6H-pyrazino(1,2-a:4,5-a')diindole-1,6,8,13-tetrone, 4,4a,7,7a,11,11a,14,14a-octahydro-4,11-dihydroxy-, (4S-(4alpha,4aalpha,6abeta,7abeta,11alpha,11aalpha,13abeta,14abeta))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	287069	.	.	.	.	420.5	C18H16N2O6S2	166	861	-1.7	28	2	8	0	"InChI=1S/C18H16N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h1-4,7-8,11-14,23-24H,5-6H2"	C1C2C(C(C=CC2=O)O)N3C14C(=O)N5C6C(CC5(C3=O)SS4)C(=O)C=CC6O	RCODXLGTKJXDNC-UHFFFAOYSA-N
DG50995	CID 155551	155551	"Physalin H; 70241-09-7; 14-chloro-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone; NSC688074; Neuro_000435; CHEBI:169597; chloro-dihydroxy-trimethyl-[ ]tetrone; 14-Chloro-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1~18,27~.0~1,5~.0~2,24~.0~8,17~.0~9,14~.0~21,26~]nonacos-11-ene-4,10,22,29-tetrone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688074	.	.	.	.	563	C28H31ClO10	146	1330	0.4	39	2	10	0	"InChI=1S/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3"	CC12CC3C4(C56C1C(=O)C(O5)(C7CC(C8(CC=CC(=O)C8(C7CCC6(C(=O)O4)O)C)Cl)O)OCC2C(=O)O3)C	YNEPXUIPALKHAU-UHFFFAOYSA-N
DG50996	Bis(p-methoxyphenyl)selenide	155624	Bis(p-methoxyphenyl)selenide; UNII-LB23TA4U8A; LB23TA4U8A; Bis(4-methoxyphenyl) selenide; 22216-66-6; CCRIS 4541; NSC632602; Bis(p-anisyl) selenide; SCHEMBL6681950; CHEMBL1978637; DTXSID90176763; NSC-632602; NCI60_010710; 1-Methoxy-4-[(4-methoxyphenyl)selanyl]benzene #	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632602	.	.	.	.	293.23	C14H14O2Se	18.5	184	.	17	0	2	4	"InChI=1S/C14H14O2Se/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14/h3-10H,1-2H3"	COC1=CC=C(C=C1)[Se]C2=CC=C(C=C2)OC	LURBCACEKXUJEG-UHFFFAOYSA-N
DG50997	"3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol"	156398	"76397-87-0; 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol; NSC600285; CHEMBL239247; 2H-1-Benzopyran-6,7-diol,3,4-dihydro-3-(4-methoxyphenyl)-; 3-(4-METHOXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-6,7-DIOL; EINECS 278-435-2; 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-6,7-diol; SCHEMBL10562731; DTXSID70997771; 6,7-Dihydroxy-4-methoxyisoflavan; 6,7-Dihydroxy-4'-methoxyisoflavan; 6,7-dihydroxy-4''-methoxyisoflavan; BDBM50222276; NSC-600285; NCI60_004481; 6,7-dihydroxy-3-(4-methoxyphenyl)chroman"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600285	.	.	.	.	272.29	C16H16O4	58.9	314	2.9	20	2	4	2	"InChI=1S/C16H16O4/c1-19-13-4-2-10(3-5-13)12-6-11-7-14(17)15(18)8-16(11)20-9-12/h2-5,7-8,12,17-18H,6,9H2,1H3"	COC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)O)O	HEMAEFVLALEJDS-UHFFFAOYSA-N
DG50998	6-Hydroxy-2-benzoxazolinone	157167	"6-Hydroxy-2-benzoxazolinone; 78213-03-3; 6-hydroxy-3H-1,3-benzoxazol-2-one; 6-HYDROXYBENZO[D]OXAZOL-2(3H)-ONE; NSC603719; 2(3H)-Benzoxazolone, 6-hydroxy-; 6-Hydroxy-1,3-benzoxazol-2(3H)-one; 6-Hydroxybenzoxazol-2(3H)-one; 2(3H)-Benzoxazolone,6-hydroxy-; NCIMech_000107; Benzo[d]oxazole-2,6-diol; 6-Hydroxy benzoxazol-2-one; 6-hydroxy-2-benz-oxazolinone; SCHEMBL241569; CHEMBL2003971; SCHEMBL17265862; 6-hydroxy-3H-benzooxazol-2-one; 6-hydroxybenzoxazolin-2(3h)-one; DTXSID70228855; 6-Hydroxy-2-benzoxazolinone  97; ACT08318; ZINC1608403; 6-Hydroxy-2-benzoxazolinone, 97%; 5997AH; CCG-35345; MFCD07369767; STL434344; AKOS022468224; NSC-603719; BS-24460; NCI60_004604; CS-0315592; FT-0691221; 6-hydroxy-2,3-dihydro-1,3-benzoxazol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603719	.	.	.	.	151.12	C7H5NO3	58.6	183	0.8	11	2	3	0	"InChI=1S/C7H5NO3/c9-4-1-2-5-6(3-4)11-7(10)8-5/h1-3,9H,(H,8,10)"	C1=CC2=C(C=C1O)OC(=O)N2	XIYXDPMPFOQCFW-UHFFFAOYSA-N
DG50999	Amsalog	157348	"Amsalog; Asulacrine isethionate; 80841-48-1; UNII-649R3P169I; NSC 343499; 649R3P169I; NSC-343499; 2-hydroxyethanesulfonic acid;9-[4-(methanesulfonamido)-2-methoxyanilino]-N,5-dimethylacridine-4-carboxamide; Neuro_000177; SCHEMBL1649484; CHEMBL1983722; DTXSID60230664; NSC343499; Ethanesulfonic acid, 2-hydroxy-, compd. with 9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)amino)-N,5-dimethyl-4-acridinecarboxamide (1:1); NCI60_003048; Q27263737; Ethanesulfonic acid, compd. with 9-[[2-methoxy-4-[(methylsulfonyl)amino]phenyl]amino]-N,5-dimethyl-4-acridinecarboxamide (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	343499	.	.	.	.	590.7	C26H30N4O8S2	201	905	.	40	5	11	8	"InChI=1S/C24H24N4O4S.C2H6O4S/c1-14-7-5-8-16-21(14)27-23-17(9-6-10-18(23)24(29)25-2)22(16)26-19-12-11-15(13-20(19)32-3)28-33(4,30)31;3-1-2-7(4,5)6/h5-13,28H,1-4H3,(H,25,29)(H,26,27);3H,1-2H2,(H,4,5,6)"	CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NC)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC.C(CS(=O)(=O)O)O	MWXDBWAFWBSGFA-UHFFFAOYSA-N
DG51000	NSC639655	157437	"8-(1,2-Dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione hydrochloride; NSC639655; 80787-27-5; DTXSID901001521; NSC-639655; 5,12-Naphthacenedione, 8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride; 8-(1,2-Dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione hydrochloride; DB-085782; 3'-Deamino-3'-(4-morpholinyl)-13-dihydro-adriamycin hydrocholoride dihydrate; 3'-DEAMINO-3'-(4-MORPHOLINYL)-13-DIHYDROADRIAMYCIN HYDROCHLORIDE DIHYDRATE; 1610045-86-7; 3-(1,2-Dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-morpholin-4-ylhexopyranoside--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639655	.	.	.	.	652.1	C31H38ClNO12	196	1060	.	45	7	13	6	"InChI=1S/C31H37NO12.ClH/c1-14-26(35)17(32-6-8-42-9-7-32)10-21(43-14)44-19-12-31(40,20(34)13-33)11-16-23(19)30(39)25-24(28(16)37)27(36)15-4-3-5-18(41-2)22(15)29(25)38;/h3-5,14,17,19-21,26,33-35,37,39-40H,6-13H2,1-2H3;1H"	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(CO)O)O)N6CCOCC6)O.Cl	OYXKDQMOCVNLBP-UHFFFAOYSA-N
DG51001	Augustine	157561	"augustine; 79659-60-2; 2H,5H-4,10b-Ethano(1,3)dioxolo(4,5-j)oxireno(a)phenanthridine,1a,3,3a,10c-tetrahydro-2-methoxy-, (1aS,2R,3aR,4S,10bS,10cR)-; (-)-augustine; 3-Methoxy-1,2-epoxycrinan; CHEMBL462743; DTXSID401000647; NSC709251; NSC-709251; NCI60_038566; (1S,13R,15R,16S,18R)-15-methoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-triene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709251	.	.	.	.	301.34	C17H19NO4	43.5	501	1.4	22	0	5	1	"InChI=1S/C17H19NO4/c1-19-13-6-14-17(16-15(13)22-16)2-3-18(14)7-9-4-11-12(5-10(9)17)21-8-20-11/h4-5,13-16H,2-3,6-8H2,1H3/t13-,14-,15+,16+,17+/m1/s1"	CO[C@@H]1C[C@@H]2[C@@]3(CCN2CC4=CC5=C(C=C43)OCO5)[C@@H]6[C@H]1O6	QLRRUWXMMVXORS-NRKLIOEPSA-N
DG51002	"2-methyl-3,4-dihydro-1H-isoquinoline-4,6,7-triol"	157875	"2-methyl-3,4-dihydro-1H-isoquinoline-4,6,7-triol; 82563-75-5; NSC693428; 1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol; TMIQ; 2-Methyl-1,2,3,4-tetrahydroisoquinoline-4,6,7-triol; N-methyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline; CHEMBL1971758; CHEBI:173958; DTXSID701002785; NSC-693428; NCI60_033467; 2-Methyl-1,2,3,4-tetrahydro-4,6,7-isoquinolinetriol; 4,6,7-Isoquinolinetriol, 1,2,3,4-tetrahydro-2-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693428	.	.	.	.	195.21	C10H13NO3	63.9	212	0	14	3	4	0	"InChI=1S/C10H13NO3/c1-11-4-6-2-8(12)9(13)3-7(6)10(14)5-11/h2-3,10,12-14H,4-5H2,1H3"	CN1CC(C2=CC(=C(C=C2C1)O)O)O	PIJDIPDQQMXWEM-UHFFFAOYSA-N
DG51003	Holacanthone	158475	"Holacanthone; 84062-60-2; UNII-1W45S57JD6; 1W45S57JD6; Acetyl-glaucarubulone; [(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] acetate; BRN 5461864; NSC126765; 2H-1,11c-beta-(Epoxymethano)-phenanthro(10,1-bc)pyran-5,10(3H,6a-beta-H)-dione, 1,3a-beta,4,7,7a-alpha,11,11a,11b-octahydro-1-alpha,2-alpha,4-beta,11-beta-tetrahydroxy-3-alpha,18,11a-beta-trimethyl-, 4-acetate; CHEMBL458908; NSC-126765; NCI60_000614; B633407K028; Picras-3-ene-2,16-dione, 15-(acetyloxy)-11,20-epoxy-1,11,12-trihydroxy- (9CI); 5H-1,1-bc]pyran-5,10(6a.beta.H)-dione,1,2,3,3a.beta.,4,7,7a.alpha.,11,11a,11b.alpha.-decahydro-1.alpha.,2.alpha.,4.beta.,11.beta.-tetrahydroxy-3.alpha.,8,11a.beta.-trimethyl-, 4-acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	126765	.	.	.	.	436.5	C22H28O9	140	913	-0.3	31	3	9	2	"InChI=1S/C22H28O9/c1-8-5-12(24)17(26)20(4)11(8)6-13-21-7-29-22(28,19(20)21)16(25)9(2)14(21)15(18(27)31-13)30-10(3)23/h5,9,11,13-17,19,25-26,28H,6-7H2,1-4H3/t9-,11+,13-,14-,15-,16-,17-,19-,20-,21+,22+/m1/s1"	C[C@@H]1[C@@H]2[C@H](C(=O)O[C@H]3[C@@]24CO[C@@]([C@@H]1O)([C@@H]4[C@@]5([C@@H](C3)C(=CC(=O)[C@H]5O)C)C)O)OC(=O)C	OFHVBIQKCNMHKC-FJSLBGAUSA-N
DG51004	Tipifarnib	159324	"Tipifarnib; 192185-72-1; Zarnestra; R115777; R-115777; Tipifarnib (Zarnestra); (R)-6-(Amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methyl-2(1H)-quinolinone; UNII-MAT637500A; IND 58359; 6-[(R)-amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2(1H)-one; MAT637500A; R-11577; NSC-702818; (R)-6-(amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methylquinolin-2(1H)-one; 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one; 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE; R115777;IND 58359; JAN; Tipifarnib (USAN/INN); Tipifarnib [USAN:INN]; tipifarnibum; Tipifarneb; CCRIS 9329; (R)-( )-R115777; Tipifarnib - Zarnestra; (R)-TIPIFARNIB; D03720; SCHEMBL8097; Tipifarnib (R115777); MLS006011105; GTPL8025; DTXSID5041140; SCHEMBL21544535; Tipifarnib, >=98% (HPLC); R115777; TIPIFARNIB; 1x81; CHEBI:141969; BCPP000044; HMS3654B10; HMS3748E21; 6-[(R)-Amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl}-4-(3-chlorophenyl)-1-methyl-2(1H)-quinolinone; AMY20627; BCP02262; EX-A2346; BDBM50370385; NSC760444; s1453; ZINC24809155; AKOS027326864; CCG-264893; CS-0475; DB04960; NSC-760444; SB16693; NCGC00250406-01; NCGC00250406-02; 2 (1H))-Quinolinone,6-(amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methyl-, (+)-; 2(1H)-Quinolinone,6-[(R)-amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methyl-; AC-33171; BS-15758; HY-10502; SMR002530065; Tipifarnib; IND 58359; R115777; SW219749-1; X1029; D70631; 185T721; Q-102509; BRD-K62965247-001-01-5; IND 58359;R115777;IND-58359;IND58359;R-115777;R 115777; (+)-(r)-6-[amino(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methyl-2(1h)-quinolinone; 2 (1H))-Quinolinone,6-(amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methyl-; 2(1H)-Quinolinone, 6-[(R)-amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760444	.	.	.	.	489.4	C27H22Cl2N4O	64.2	785	4.1	34	1	3	4	"InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3/t27-/m1/s1"	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N
DG51005	Butyltriphenylphosphonium bromide	159628	"Butyltriphenylphosphonium bromide; 1779-51-7; N-Butyltriphenylphosphonium bromide; (1-Butyl)Triphenylphosphonium Bromide; Phosphonium, butyltriphenyl-, bromide; Phosphonium, butyltriphenyl-, bromide (1:1); butyl(triphenyl)phosphanium;bromide; C22H24BrP; (n-Butyl)triphenylphosphonium bromide; MFCD00011855; butyl(triphenyl)phosphonium bromide; n-Butyltriphenylphosphonium chloride; EINECS 217-219-4; NSC 59684; butyl triphenyl phosphine bromide; SCHEMBL1063; CHEMBL4792223; butyl triphenylphosphonium bromide; butyl(triphenyl)phosphonium iodide; DTXSID90883581; butyl(triphenyl)phosphanium,bromide; butyl-triphenyl phosphonium bromide; triphenyl butyl phosphonium bromide; ACN-S002169; AMY39371; BCP22515; n-butyl-triphenylphosphonium bromide; NSC59684; (1-Butyl)triphenylphosphoniumbromide; n-butyl triphenyl-phosphonium bromide; NSC-59684; AKOS015963276; Butyltriphenylphosphonium bromide, 99%; CS-W009726; GC10168; MCULE-7982220303; AS-12138; BC005143; DB-005492; B0970; FT-0623340; J-011337; J-519973; Q-200774; (1-BUTYL)TRIPHENYLPHOSPHONIUM BROMIDE;BUTYL TRIPHENYL PHOSPHINE BROMIDE;BUTYL TRIPHENYL PHOSPHOROUS BROMIDE;BUTYLTRIPHENYLPHOSPHONIUM BROMIDE;N-BUTYLTRIPHENYLPHOSPHONIUM BROMIDE;TBP"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	59684	.	.	.	.	399.3	C22H24BrP	0	273	.	24	0	1	6	"InChI=1S/C22H24P.BrH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1"	CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]	IKWKJIWDLVYZIY-UHFFFAOYSA-M
DG51006	"2,5-Dimethyl-3,6-diaziridinyl-1,4-benzoquinone"	159854	"MeDZQ; 18735-47-2; 2,5-Dimethyl-3,6-diaziridinyl-1,4-benzoquinone; 2,6-diaziridinyl-1,4-benzoquinone; Methyldiaziridinequinone; 2,5-bis(aziridin-1-yl)-3,6-dimethylcyclohexa-2,5-diene-1,4-dione; Neuro_000349; CHEMBL311910; SCHEMBL1614158; DTXSID10172045; ZINC1630154; NSC646714; NSC-646714; NCI60_016124; 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)-3,6-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646714	.	.	.	.	218.25	C12H14N2O2	40.2	421	0.8	16	0	4	2	"InChI=1S/C12H14N2O2/c1-7-9(13-3-4-13)12(16)8(2)10(11(7)15)14-5-6-14/h3-6H2,1-2H3"	CC1=C(C(=O)C(=C(C1=O)N2CC2)C)N3CC3	IWVCOLOPRNYONP-UHFFFAOYSA-N
DG51007	Acrovestone	159969	"Acrovestone; CHEBI:2440; 24177-16-0; CHEMBL488313; NSC612789; 1-(3-{1-[3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-methylbutyl}-2,4,6-trihydroxy-5-(3-methylbut-2-en-1-yl)phenyl)ethan-1-one; 1-[3-{1-[3-Acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-methylbutyl}-2,4,6-trihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]ethan-1-one; Ethanone, 1-(3-(1-(3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methyl-2-butenyl)phenyl)-3-methylbutyl)-2,4,6-trihydroxy-5-(3-methyl-2-butenyl)phenyl)-; SCHEMBL1230905; DTXSID80946997; BDBM50267248; NSC-612789; NCI60_004870; C09916; Q27105669"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	612789	.	.	.	.	554.7	C32H42O8	145	918	8	40	5	8	11	"InChI=1S/C32H42O8/c1-15(2)10-12-20-27(35)23(18(7)33)30(38)25(28(20)36)22(14-17(5)6)26-29(37)21(13-11-16(3)4)32(40-9)24(19(8)34)31(26)39/h10-11,17,22,35-39H,12-14H2,1-9H3"	CC(C)CC(C1=C(C(=C(C(=C1O)CC=C(C)C)O)C(=O)C)O)C2=C(C(=C(C(=C2O)CC=C(C)C)OC)C(=O)C)O	KLFWXYAHGSXKAW-UHFFFAOYSA-N
DG51008	Miltirone	160142	"Miltirone; 27210-57-7; Rosmariquinone; Miltiron; 8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione; CHEMBL45830; CHEBI:34851; NSC639662; Miltirone; NSC 639662; Rosmariquinone; 2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione; Miltrione; 2-Isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-3,4-phenanthrenedione; 3,4-Phenanthrenedione,5,6,7,8-tetrahydro-8,8-dimethyl-2-(1-methylethyl)-; SCHEMBL13568178; DTXSID20181683; HY-N1951; ZINC1537184; 5,6,7,8-tetrahydro-8,8-dimethyl-2-isopropyl-3,4-phenanthrenedione; BDBM50009219; MFCD00238644; 5,6,7,8-Tetrahydro-8,8-dimethyl-2-(1-methylethyl)-3,4-phenanthrenedione; AKOS015909796; NSC-639662; AC-34173; NCI60_013161; CS-0018262; FT-0628947; Y0137; 20-Nor-5,7,9,13-abietatetraene-11,12-dione; Q27116297; 2-isopropyl-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione; 5,6,7,8-Tetrahydro-2-isopropyl-8,8-dimethyl-3,4-phenanthraquinone; 3,4-Phenanthrenedione, 5,6,7,8-tetrahydro-8,8-dimethyl-2-(1-methylethyl)-; 5,6,7,8-Tetrahydro-8,8-dimethyl-2-(1-methylethyl)-3,4-phenanthrenedione, 9CI; 8,8-dimethyl-2-(propan-2-yl)-3,4,5,6,7,8-hexahydrophenanthrene-3,4-dione; miltirone;2-Isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-phenanthrene-3,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639662	.	.	.	.	282.4	C19H22O2	34.1	498	4.9	21	0	2	1	"InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3"	CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O	FEFAIBOZOKSLJR-UHFFFAOYSA-N
DG51009	Oxidopamine hydrochloride	160157	"Oxidopamine hydrochloride; 28094-15-7; 6-Hydroxydopamine hydrochloride; 5-(2-aminoethyl)benzene-1,2,4-triol hydrochloride; 6-Hydroxydopamine chloride; Oxidopamine (hydrochloride); UNII-9WBV30HXTL; 2,4,5-Trihydroxyphenethylamine hydrochloride; 9WBV30HXTL; 6-HYDROXYDOPAMINE HCL; 5-(2-aminoethyl)benzene-1,2,4-triol;hydrochloride; 6-Hydroxydopamine hydrochloride;6-OHDA hydrochloride; MFCD00012895; NCGC00094747-01; DSSTox_CID_25838; DSSTox_RID_81164; DSSTox_GSID_45838; Oxidopamine HCl; CAS-28094-15-7; EINECS 248-837-2; NSC 233898; 5-(2-Aminoethyl)-1,2,4-benzenetriol hydrochloride; 5-(2-Aminoethyl)-4-hydroxypyrocatechol hydrochloride; 1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrochloride; 3,4,5-Trihydroxyphenethylamine hydrochloride; 6-Hydroxy Dopamine Hydrochloride; 2,5-Dihydroxytyramine hydrochloride; 4-(2-Aminoethyl)-1,2,3-benzenetriol hydrochloride; 6-HYDROXYDOPAMINEHYDROCHLORIDE; 1,2,3-Benzenetriol, 4-(2-aminoethyl)-, hydrochloride; 6-OHDA hydrochloride; 6-HD HCl; MLS002207273; SCHEMBL718426; SPECTRUM1500450; 2-(2,4,5-Trihydroxyphenyl)ethylamine hydrochloride; CHEMBL451197; DTXSID0045838; WLN: Z2R CQ DQ EQ &GH; HMS1920D14; Pharmakon1600-01500450; BCP18603; HY-B1081; Tox21_111324; CCG-40236; NSC233898; NSC757259; AKOS015894730; Tox21_111324_1; CS-4648; MCULE-6193725661; NSC-233898; NSC-757259; NCGC00094747-02; NCGC00167769-04; 3,5-Trihydroxyphenethylamine hydrochloride; AS-60772; SMR001306794; DB-047336; FT-0638757; D87854; 4-(2-Aminoethyl)-1,3-benzenetriol hydrochloride; A876787; 2-(2,4,5-trihydroxyphenyl)ethan-1-aminium chloride; 6-OHDA hydrochloride6-Hydroxydopamine hydrochloride; J-016968; 1,3-Benzenetriol, 4-(2-aminoethyl)-, hydrochloride; 1,4-Benzenetriol, 5-(2-aminoethyl)-, hydrochloride; 6-Hydroxydopamine Hydrochloride; 6-OHDA hydrochloride; Q27273318; 6-Hydroxydopamine hydrochloride, >=97% (titration), powder; 1,2,4-Benzenetriol,5-(2-aminoethyl)-, hydrochloride (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	233898	.	.	.	.	205.64	C8H12ClNO3	86.7	142	.	13	5	4	2	"InChI=1S/C8H11NO3.ClH/c9-2-1-5-3-7(11)8(12)4-6(5)10;/h3-4,10-12H,1-2,9H2;1H"	C1=C(C(=CC(=C1O)O)O)CCN.Cl	QLMRJHFAGVFUAC-UHFFFAOYSA-N
DG51010	Dihydrotriazine derivative	160202	"Dihydrotriazine derivative; NSC 127755; 31368-48-6; NSC127755; NSC-127755; Ethanesulfonic acid, compd. with 3-chloro-4-(4-(2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenyl)butyl)benzenesulfonyl fluoride (1:1); 3-chloro-4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid; CHEMBL1995362; DTXSID50185295; 3-chloro-4-(4-(2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenyl)butyl)benzenesulfonyl fluoride cpd with ethanesulfonic acid; Benzenesulfonyl fluoride, 3-chloro-4-(4-(2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)butyl)-, monoethanesulfonate (9CI); Ethanesulfonic acid compound with 3-chloro-4-(4-(2-chloro-4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenyl)butyl)benzenesulfonyl fluoride (1:1); Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenyl]butyl]benzenesulfonyl fluoride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127755	.	.	.	.	610.6	C23H30Cl2FN5O5S2	185	938	.	38	3	7	8	"InChI=1S/C21H24Cl2FN5O2S.C2H6O3S/c1-21(2)28-19(25)27-20(26)29(21)15-9-7-13(17(22)11-15)5-3-4-6-14-8-10-16(12-18(14)23)32(24,30)31;1-2-6(3,4)5/h7-12H,3-6H2,1-2H3,(H4,25,26,27,28);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=C(C=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C	JNVLQWBZTYBYKN-UHFFFAOYSA-N
DG51012	O-Desmethylbouvardin	160296	"O-Desmethylbouvardin; Desmethylbouvardin; 88360-88-7; Bouvardin, 3-(N-methyl-L-tyrosine)-; O-Demethylbouvardin; NSC324579; NSC 324579; BOUVARDIN, O-DESMETHYL; CHEMBL1975273; DTXSID301008074; NSC-324579; 2,5,11,17,24-Pentahydroxy-10-[(4-hydroxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2~18,21~.1~23,27~]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,1; 22-Oxa-3,9,12,15,29-hexaazatetracyclo[14.12.2.218,21.123, 27]tritriacontane, cyclic peptide deriv"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	324579	.	.	.	.	758.8	C39H46N6O10	218	1420	1.6	55	6	10	2	"InChI=1S/C39H46N6O10/c1-20-34(49)41-21(2)37(52)43(4)28(17-23-7-12-26(46)13-8-23)36(51)42-22(3)38(53)45(6)32-33(48)25-10-14-27(15-11-25)55-31-19-24(9-16-30(31)47)18-29(35(50)40-20)44(5)39(32)54/h7-16,19-22,28-29,32-33,46-48H,17-18H2,1-6H3,(H,40,50)(H,41,49)(H,42,51)"	CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2C(C3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)O)C)C)CC5=CC=C(C=C5)O)C)C	YOCWDXULSGQNRW-UHFFFAOYSA-N
DG51014	"2-Methyl-4-(phenylimino)naphth(2,3-d)oxazol-9-one"	160386	"MLS002701566; 153824-55-6; NSC650573; NSC-650573; 2-Methyl-4-(phenylimino)naphth(2,3-d)oxazol-9-one; 2-methyl-4-phenyliminobenzo[f][1,3]benzoxazol-9-one; SMR001565167; NCIMech_000558; CHEMBL159365; cid_160386; CHEMBL1699398; CHEMBL1967802; BDBM81237; (Z)-2-Methyl-4-(phenylimino)naphth(2,3-d)oxazol-9(4H)-one; CCG-35975; ZINC18031638; ZINC100042424; Naphth[2, 2-methyl-4-(phenylimino)-; NCI60_017571; 2-methyl-4-phenylimino-9-benzo[f][1,3]benzoxazolone; 2-methyl-4-phenylimino-benzo[f][1,3]benzoxazol-9-one; 2-Methyl-4-[(Z)-phenylimino]naphth[2,3-d]oxazol-9-one; Naphth(2,3-d)oxazol-9(4H)-one, 2-methyl-4-(phenylimino)-, (Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650573	.	.	.	.	288.3	C18H12N2O2	55.5	470	4.2	22	0	4	1	"InChI=1S/C18H12N2O2/c1-11-19-16-15(20-12-7-3-2-4-8-12)13-9-5-6-10-14(13)17(21)18(16)22-11/h2-10H,1H3"	CC1=NC2=C(O1)C(=O)C3=CC=CC=C3C2=NC4=CC=CC=C4	UPEHKUQHXSSQQA-UHFFFAOYSA-N
DG51015	"N-(3-(1-Aziridinyl)propyl)-1,4-butanediamine"	160394	"N-(3-(1-Aziridinyl)propyl)-1,4-butanediamine; 154264-46-7; NSC658396; N(1)-Aziridinylspermidine; N'-[3-(aziridin-1-yl)propyl]butane-1,4-diamine; CHEMBL539471; SCHEMBL5672546; DTXSID70934964; NSC-658396; NCI60_020508; N-(3-Aziridinylpropyl)-1,4-diaminobutane; 1,4-Butanediamine, N-(3-(1-aziridinyl)propyl)-; N~1~-[3-(Aziridin-1-yl)propyl]butane-1,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658396	.	.	.	.	171.28	C9H21N3	41.1	102	-0.3	12	2	3	8	"InChI=1S/C9H21N3/c10-4-1-2-5-11-6-3-7-12-8-9-12/h11H,1-10H2"	C1CN1CCCNCCCCN	CNOIPHKAPXDRCC-UHFFFAOYSA-N
DG51016	"N-(4-(1-Aziridinyl)butyl)-1,3-propanediamine"	160395	"N(8)-Aziridinylspermidine; N-(4-(1-Aziridinyl)butyl)-1,3-propanediamine; NSC658397; 154264-47-8; N'-[4-(aziridin-1-yl)butyl]propane-1,3-diamine; N-(4-Aziridinylbutyl)-1,3-diaminopropane; N8-aziridinyl-spermidine; CHEMBL539472; SCHEMBL8875699; DTXSID30165575; NSC-658397; NCI60_020509; 1,3-Propanediamine, N-(4-(1-aziridinyl)butyl)-; N~1~-(4-(1-Aziridinyl)butyl)-1,3-propanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658397	.	.	.	.	171.28	C9H21N3	41.1	102	-0.3	12	2	3	8	"InChI=1S/C9H21N3/c10-4-3-6-11-5-1-2-7-12-8-9-12/h11H,1-10H2"	C1CN1CCCCNCCCN	JVMUEYFSUCQOKO-UHFFFAOYSA-N
DG51017	Xanthinin	160533	"Xanthinin; Xanthumin; Ksantinin; 153483-31-9; 580-49-4; NSC136705; [1-(7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl)-3-oxobutyl] acetate; 6-(1-(Acetyloxy)-3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta(b)furan-2-one; 1-(7-Methyl-3-methylene-2-oxo-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-6-yl)-3-oxobutyl acetate; CHEMBL1982362; AKOS015909568; NSC-136705; NCI60_000833; W2167; [1-(7-methyl-3-methylene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl)-3-oxo-butyl] acetate; 1-(7-Methyl-3-methylene-2-oxo-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-6-yl)-3-oxobutyl acetate #; 2H-Cyclohepta[b]furan-2-one, 6-[(1R)-1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-, (3aR,7S,8aR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136705	.	.	.	.	306.4	C17H22O5	69.7	545	1.4	22	0	5	5	"InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3"	CC1CC2C(CC=C1C(CC(=O)C)OC(=O)C)C(=C)C(=O)O2	DPSCQKGSAHTWSP-UHFFFAOYSA-N
DG51018	Dansylethylenediamine	161851	"Dansylethylenediamine; 35060-08-3; N-(2-aminoethyl)-5-(dimethylamino)naphthalene-1-sulfonamide; N-Dansylethylenediamine; N-Dansyl-ethylenediamine; NSC666752; MFCD00467523; Monodansylethylenediamine; Dns-eeda; (2-Aminoethyl)dansylamide; dansylamine; (2-aminoethyl)-dansylamide; SCHEMBL1293231; CHEMBL1766567; DTXSID70188566; SJL 620; N-(2-Aminoethyl)-5-(dimethylamino)-1-naphthalenesulfonamide; SCP-29178 2b; ZINC1642348; AKOS015915994; NSC-666752; NCI60_023306; DB-081122; CS-0362066; FT-0620361; N-Dansylethylenediamine, suitable for fluorescence; J-019848; N-(2-Aminoethyl)-5-dimethylamino-1-naphthalenesulfonamide; 1-Naphthalenesulfonamide, N-(2-aminoethyl)-5-(dimethylamino)-; 5-dimethylamino-naphthalene-1-sulfonic acid (2-amino-ethyl)-amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666752	.	.	.	.	293.39	C14H19N3O2S	83.8	405	1.5	20	2	5	5	"InChI=1S/C14H19N3O2S/c1-17(2)13-7-3-6-12-11(13)5-4-8-14(12)20(18,19)16-10-9-15/h3-8,16H,9-10,15H2,1-2H3"	CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCN	CSJXLKVNKAXFSI-UHFFFAOYSA-N
DG51019	"[3,6-Bis(trifluoromethyl)phenanthren-9-yl]-piperidin-2-ylmethanol;hydrochloride"	161868	"DTXSID60956751; 35318-40-2; WR-122455; CHEMBL1991777; NSC140364; NSC-140364; [3,6-Bis(trifluoromethyl)phenanthren-9-yl](piperidin-2-yl)methanol--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	140364	.	.	.	.	463.8	C22H20ClF6NO	32.299	593	.	31	3	8	2	"InChI=1S/C22H19F6NO.ClH/c23-21(24,25)13-5-4-12-9-18(20(30)19-3-1-2-8-29-19)15-7-6-14(22(26,27)28)11-17(15)16(12)10-13;/h4-7,9-11,19-20,29-30H,1-3,8H2;1H"	C1CCNC(C1)C(C2=C3C=CC(=CC3=C4C=C(C=CC4=C2)C(F)(F)F)C(F)(F)F)O.Cl	HKAMJBJQZVUJFZ-UHFFFAOYSA-N
DG51020	Dihydroguaiaretic acid	161924	"Dihydroguaiaretic acid; 4,4'-(2,3-dimethylbutane-1,4-diyl)bis(2-methoxyphenol); 36469-60-0; 4-[4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol; 66322-34-7; CCRIS 7923; Dihydroguayaretic acid; Guaiacol, 4,4'-(2,3-dimethyltetramethylene)di-, meso-; 4,4'-((2R,3S)-2,3-Dimethylbutane-1,4-diyl)bis(2-methoxyphenol); SCHEMBL9087980; CHEMBL1976696; ACon1_001505; DTXSID30957790; 4-butanediylDihydroguaiaretic acid; Phenol, 4,4'-[(2R,3S)-2,3-dimethyl-1,4-butanediyl]bis[2-methoxy-, rel-; HMS3342F18; BDBM50030892; NSC705084; AKOS032948494; NSC-705084; NCGC00180436-01; NCI60_037533; FT-0696052; ( inverted exclamation markA)-Dihydroguaiaretic Acid; BRD-A19129781-001-01-6; Phenol,4'-(2,3-dimethyl-1,4-butanediyl)bis[2-methoxy-; 4-[4-(4-hydroxy-3-methoxy-phenyl)-2,3-dimethyl-butyl]-2-methoxy-phenol; 2,3-Dimethyl-1-(3'-methoxy-4'-hydroxyphenyl)-4-(3''-methoxy-4''hydroxyphenyl)butane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705084	.	.	.	.	330.4	C20H26O4	58.9	328	5	24	2	4	7	"InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3"	CC(CC1=CC(=C(C=C1)O)OC)C(C)CC2=CC(=C(C=C2)O)OC	ADFOLUXMYYCTRR-UHFFFAOYSA-N
DG51021	Jolkinolide B	161954	"Jolkinolide B; 37905-08-1; CHEBI:69827; (1S,3R,8R,10R,11R,12R,17R)-5,12,16,16-tetramethyl-2,7,9-trioxahexacyclo[9.8.0.01,3.04,8.08,10.012,17]nonadec-4-en-6-one; CHEMBL404387; DTXSID70958923; HY-N0732; ZINC5766692; NSC700087; AKOS032946071; NSC-700087; NCI60_035896; CS-0009745; N2756; Q27138168; 4,4,8,11b-tetramethyl-2,3,4,4a,5,6,6a,7,10a,11,11a,11b-dodecahydro- 1H,9H-6a:7,10a:11-diepoxyphenanthro[3,2-b]furan-9-one; 4,4,8,11c-Tetramethyl-1,2,3,4,4a,5,6,11a,11b,11c-decahydrobisoxireno[3,4:1,10a]phenanthro[3,2-b]furan-9(7aH)-one; Bisoxireno(1,10a:3,4)phenanthro(3,2-b)furan-9(7aH)-one, 1,2,3,4,4a,5,6,11a,11b,11c-decahydro-4,4,8,11c-tetramethyl-, (4aR-(4aalpha,6aS*,7abeta,10aR*,11abeta,11balpha,11cbeta))-; Bisoxireno[1,4]phenanthro[3,2-b]furan-9(7aH)-one, 1,2, 3,4,4a,5,6,11a,11b,11c-decahydro-4,4,8,11c-tetramethyl-, [4aR-(4a.alpha.,6aS*,7a.beta.,10aR*,11a.beta.,11b.alpha.,11c.beta,)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700087	.	.	.	.	330.4	C20H26O4	51.4	723	3.2	24	0	4	0	"InChI=1S/C20H26O4/c1-10-12-14-19(22-14)9-6-11-17(2,3)7-5-8-18(11,4)13(19)15-20(12,23-15)24-16(10)21/h11,13-15H,5-9H2,1-4H3/t11-,13+,14-,15-,18-,19+,20-/m1/s1"	CC1=C2[C@@H]3[C@]4(O3)CC[C@H]5[C@]([C@@H]4[C@@H]6[C@]2(O6)OC1=O)(CCCC5(C)C)C	SOVOCMGDFRGRKF-MCDHERAVSA-N
DG51022	Pannarin	162780	"Pannarin; Pannarine; NSC646008; 55609-84-2; NSC-646008; CHEMBL285415; 2-Chloro-3-hydroxy-8-methoxy-1,6,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde; DTXSID50204157; CHEBI:144185; BDBM50056915; NCI60_015821; 11H-Dibenzo(b,e)(1,4)dioxepin-4-carboxaldehyde, 2-chloro-3-hydroxy-8-methoxy-1,6,9-trimethyl-11-oxo-; 8-chloro-9-hydroxy-3-methoxy-1,4,7-trimethyl-6-oxo-benzo[b][1,4]benzodioxepine-10-carbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646008	.	.	.	.	362.8	C18H15ClO6	82.1	528	4.3	25	1	6	2	"InChI=1S/C18H15ClO6/c1-7-5-11(23-4)8(2)16-15(7)24-17-10(6-20)14(21)13(19)9(3)12(17)18(22)25-16/h5-6,21H,1-4H3"	CC1=CC(=C(C2=C1OC3=C(C(=C(C(=C3C(=O)O2)C)Cl)O)C=O)C)OC	LVGKNESDSKGROR-UHFFFAOYSA-N
DG51023	"Pyrimidine, 2-((2,4-dinitrophenyl)thio)-"	163121	"Pyrimidine, 2-((2,4-dinitrophenyl)thio)-; 66474-53-1; 2-(2,4-dinitrophenyl)sulfanylpyrimidine; MLS000757063; 2,4-Dinitropyrimidinyl-2-thiophenol; 2-(2,4-Dinitrophenylthio)pyrimidine; 2-[(2,4-dinitrophenyl)thio]pyrimidine; SMR000449836; 2-((2,4-Dinitrophenyl)thio)pyrimidine; Jcc 216; cid_163121; CHEMBL1594896; BDBM72687; DTXSID30216692; HMS2812A16; ZINC1567155; AC8272; MFCD01250427; NSC302584; AKOS024369891; MCULE-9268140753; NSC 302584; NSC-302584; NCGC00246960-01; SY252870; DS-012375; CS-0086960"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302584	.	.	.	.	278.25	C10H6N4O4S	143	339	2.3	19	0	7	2	InChI=1S/C10H6N4O4S/c15-13(16)7-2-3-9(8(6-7)14(17)18)19-10-11-4-1-5-12-10/h1-6H	C1=CN=C(N=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]	UDWLPPBHVNQRBL-UHFFFAOYSA-N
DG51024	Sesbanimide	163490	"Sesbanimide; Sesbanimide A; 85719-78-4; SESBANIMIDE B; 4-[5-hydroxy-6-(2-hydroxy-3-methyl-4-methylideneoxolan-2-yl)-1,3-dioxan-4-yl]piperidine-2,6-dione; CHEMBL1965002; NSC355461; NSC370346; NSC-355461; NSC-370346; 92282-10-5; NCI60_003205; B621099K443; 2, 4-[5-hydroxy-6-(tetrahydro-2-hydroxy-3-methyl-4-methylene -2-furanyl)-1,3-dioxan-4-yl]-; alpha-D-glycero-D-threo-4-Heptulo-4,7-furanose, 5,6-dideoxy-1-C'-(2,6-dioxo-4-piperidinyl)-5-methyl-6-methylene-1,3-O-methylene-, (1S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355461	.	.	.	.	327.33	C15H21NO7	114	520	-1.9	23	3	7	2	"InChI=1S/C15H21NO7/c1-7-5-23-15(20,8(7)2)14-12(19)13(21-6-22-14)9-3-10(17)16-11(18)4-9/h8-9,12-14,19-20H,1,3-6H2,2H3,(H,16,17,18)"	CC1C(=C)COC1(C2C(C(OCO2)C3CC(=O)NC(=O)C3)O)O	ULQATHQJWVNXEJ-UHFFFAOYSA-N
DG51025	"N,N',N''-Tris(4-phenylbutyl)benzene-1,3,5-trimethanamine"	163878	"RE 1492; N,N',N''-Tris(4-phenylbutyl)benzene-1,3,5-trimethanamine; 112169-14-9; RE-1492; N,N',N''-(benzene-1,3,5-triyltris(methylene))tris(4-phenylbutan-1-amine); CHEMBL1970699; DTXSID10149934; NSC704565; N-[[3,5-bis[(4-phenylbutylamino)methyl]phenyl]methyl]-4-phenylbutan-1-amine; NSC-704565; NCI60_037316; 1,3,5-Benzenetrimethanamine, N,N',N''-tris(4-phenylbutyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704565	.	.	.	.	561.8	C39H51N3	36.1	522	8	42	3	3	21	"InChI=1S/C39H51N3/c1-4-16-34(17-5-1)22-10-13-25-40-31-37-28-38(32-41-26-14-11-23-35-18-6-2-7-19-35)30-39(29-37)33-42-27-15-12-24-36-20-8-3-9-21-36/h1-9,16-21,28-30,40-42H,10-15,22-27,31-33H2"	C1=CC=C(C=C1)CCCCNCC2=CC(=CC(=C2)CNCCCCC3=CC=CC=C3)CNCCCCC4=CC=CC=C4	RPSXXPUMOFOJAV-UHFFFAOYSA-N
DG51026	Mycoticin a	164141	"Mycoticin a; Antibiotic 464; 29919-25-3; 38328-44-8; NSC324065; DTXSID00952373; NCI60_002813; 14,16,18,20,22,24,26,28-Octahydroxy-15,31-dimethyl-32-(propan-2-yl)-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one; 14,16,18,20,22,24,26,28-octahydroxy-32-isopropyl-15,31-dimethyloxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	324065	.	.	.	.	650.8	C36H58O10	188	1020	4.4	46	8	10	1	"InChI=1S/C36H58O10/c1-24(2)36-25(3)16-17-27(37)18-28(38)19-29(39)20-30(40)21-31(41)22-32(42)23-34(44)26(4)33(43)14-12-10-8-6-5-7-9-11-13-15-35(45)46-36/h5-13,15-17,24-34,36-44H,14,18-23H2,1-4H3"	CC1C=CC(CC(CC(CC(CC(CC(CC(C(C(CC=CC=CC=CC=CC=CC(=O)OC1C(C)C)O)C)O)O)O)O)O)O)O	GBVIQYQFMPWELT-UHFFFAOYSA-N
DG51027	Isoindigotin	164610	"Isoindigotin; Isoindigo; 476-34-6; UNII-6UE33XXJ1Y; 6UE33XXJ1Y; CHEMBL515155; (E)-[3,3'-Biindolinylidene]-2,2'-dione; 180479-95-2; trans-Isoindigo; 3-(2-hydroxy-1H-indol-3-yl)indol-2-one; Oprea1_712169; SCHEMBL9899736; SCHEMBL9899740; (3E)-3-(2-oxo-1H-indol-3-ylidene)-1H-indol-2-one; SCHEMBL12386233; AOB6808; BCP32739; BDBM50342561; MFCD00423577; NSC717810; ZINC32915988; ZINC34172946; 2H-Indol-2-one, 3-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-1,3-dihydro-; AKOS001588195; AKOS032947324; MCULE-3283754750; NSC-717810; (2-oxoindolin-3-ylidene)indolin-2-one; [3,3'-Biindolinylidene]-2,2'-dione; AS-82948; NCI60_040614; (E)-[3,3''-biindolinylidene]-2,2''-dione; (3E)-3-(2-oxoindolin-3-ylidene)indolin-2-one; SR-01000390554; Isoindigo;(E)-[3,3'-biindolinylidene]-2,2'-dione; SR-01000390554-1; Q27265545; 3-(2-oxo-2,3-dihydro-1H-indol-3-ylidene)-2,3-dihydro-1H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717810	.	.	.	.	262.26	C16H10N2O2	65.4	585	2.6	20	2	2	1	"InChI=1S/C16H10N2O2/c19-15-13(9-5-1-3-7-11(9)17-15)14-10-6-2-4-8-12(10)18-16(14)20/h1-8,17,19H"	C1=CC=C2C(=C1)C(=C(N2)O)C3=C4C=CC=CC4=NC3=O	VBMISAYWIMDRCV-UHFFFAOYSA-N
DG51029	Podophyllotoxin acetate	164791	"Podophyllotoxin acetate; Acetylpodophyllotoxin; Podophyllin Acetate; 1180-34-3; Acetyl podophyllotoxin; Podophyllotoxin, acetate; NSC 36408; Spectrum_001858; Spectrum2_001681; Spectrum3_001672; Spectrum4_001662; Spectrum5_000563; BSPBio_003483; KBioGR_002183; KBioSS_002375; SCHEMBL985502; SPECTRUM1504412; SPBio_001602; CHEMBL1409147; Podophyllotoxin, acetate (8CI); KBio2_002371; KBio2_004939; KBio2_007507; KBio3_002703; DTXSID90151999; NSC36408; ZINC4164766; CCG-38772; NSC-36408; SDCCGMLS-0066778.P001; NCGC00161925-01; NCGC00161925-02; BRD-K62577500-001-03-6; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 9-(acetyloxy)-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5R-(5alpha,5abeta,8aalpha,9alpha))- (9CI); Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-(acetyloxy)-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36408	.	.	.	.	456.4	C24H24O9	98.8	729	2.6	33	0	9	6	"InChI=1S/C24H24O9/c1-11(25)33-22-14-8-17-16(31-10-32-17)7-13(14)20(21-15(22)9-30-24(21)26)12-5-18(27-2)23(29-4)19(6-12)28-3/h5-8,15,20-22H,9-10H2,1-4H3/t15-,20+,21-,22-/m0/s1"	CC(=O)O[C@@H]1[C@H]2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)OC)OC	SASVNKPCTLROPQ-NZYDNVMFSA-N
DG51030	"7,2',4',5'-Tetramethoxyisoflavone"	165203	"7,2',4',5'-tetramethoxyisoflavone; 4253-02-5; NSC646923; CHEMBL478578; SCHEMBL4832045; DTXSID90195318; 7,2',4',5'-Tetramethoxyisoflavon; LMPK12050091; 2',4',5',7-Tetramethoxyisoflavone; NSC-646923; 7,2',4',5'-Tetramethoxyl-isoflavone; NCI60_016218; 7-Methoxy-3-(2,4,5-trimethoxyphenyl)-4H-chromen-4-one #; 4H-1-Benzopyran-4-one, 7-methoxy-3-(2,4,5-trimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646923	.	.	.	.	342.3	C19H18O6	63.2	504	3.1	25	0	6	5	"InChI=1S/C19H18O6/c1-21-11-5-6-12-16(7-11)25-10-14(19(12)20)13-8-17(23-3)18(24-4)9-15(13)22-2/h5-10H,1-4H3"	COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3OC)OC)OC	LMCHYXAZXISBOS-UHFFFAOYSA-N
DG51031	"2,3,4,4'-Tetramethoxy-1,1'-biphenyl"	165441	"2,3,4,4'-Tetramethoxy-1,1'-biphenyl; 6271-59-6; 1,2,3-trimethoxy-4-(4-methoxyphenyl)benzene; CHEMBL28250; MLS002608000; 2,3,4,4'-tetramethoxybiphenyl; 2,3,4,4'-Tmbp; NSC36768; DTXSID00211795; 2,3,4,4'-Tetramethoxy-biphenyl; HMS3085A15; 2,3,4,4''-Tetramethoxy-biphenyl; ZINC1669540; BDBM50099947; NSC 36768; NSC-36768; 1,1-Biphenyl,2,3,4,4-tetramethoxy-; SMR001526756; DS-008147; 1,1'-Biphenyl, 2,3,4,4'-tetramethoxy-; 2,3,4,4'-Tetramethoxy-1,1'-biphenyl #; 1,1'-Biphenyl, 4,4',5',6'-tetramethoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36768	.	.	.	.	274.31	C16H18O4	36.9	276	3.4	20	0	4	5	"InChI=1S/C16H18O4/c1-17-12-7-5-11(6-8-12)13-9-10-14(18-2)16(20-4)15(13)19-3/h5-10H,1-4H3"	COC1=CC=C(C=C1)C2=C(C(=C(C=C2)OC)OC)OC	TZYDMNYEWNWIMB-UHFFFAOYSA-N
DG51032	"2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate"	167688	"17994-15-9; 2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate; 16,17,18,19-tetrahydro-3H-yohimban-13-ium;nitrate; 1H-Benz[g]indolo[2,3-a]quinolizin-6-ium, 2,3,4,13-tetrahydro-, nitrate (1:1); NSC407299; Sempervirine nitrate dihydrate; EINECS 241-909-4; NSC 127571; NSC 407299; CHEMBL3391842"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407299	.	.	.	.	335.4	C19H17N3O3	82.8	414	.	25	1	3	0	"InChI=1S/C19H16N2.NO3/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1;2-1(3)4/h3-4,7-12H,1-2,5-6H2;/q;-1/p+1"	C1CCC2=C[N+]3=C(C=C2C1)C4=C(C=C3)C5=CC=CC=C5N4.[N+](=O)([O-])[O-]	NPMOCMWCFIQGMK-UHFFFAOYSA-O
DG51033	"6-Naphthalen-2-ylsulfonyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine"	173733	"60368-04-9; 6-naphthalen-2-ylsulfonyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine; WR 180872; WR 180,872; CHEMBL1989939; NSC305802; NSC 305802; NSC-305802; NCI60_002596; DS-009141; WR-180872; WR-180,872; 2, 5,6,7,8-tetrahydro-6-(2-naphthalenylsulfonyl)-; 2,4-Diamino-6-(2-naphthyl-sulfonyl)-5,6,7,8-tetrahydroquinazoline; 6-(Naphthalen-2-ylsulfonyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305802	.	.	.	.	354.4	C18H18N4O2S	120	578	2.4	25	2	6	2	"InChI=1S/C18H18N4O2S/c19-17-15-10-14(7-8-16(15)21-18(20)22-17)25(23,24)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14H,7-8,10H2,(H4,19,20,21,22)"	C1CC2=C(CC1S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=NC(=N2)N)N	RVGOYYJACXCEJO-UHFFFAOYSA-N
DG51034	Albacarcin M	174343	"Albacarcin M; Chrysomycin B; MLS002702887; 83852-56-6; 1-hydroxy-10,12-dimethoxy-8-methyl-4-(3,4,5-trihydroxy-4,6-dimethyloxan-2-yl)naphtho[1,2-c]isochromen-6-one; NSC354843; SMR001566705; 92934-54-8; VIRENOMYCIN M; Neuro_000192; Albacarcin M; Chrysomycin B; cid_174343; CHEMBL1736358; DTXSID90918862; BDBM114644; BS-1212; MCULE-8510079190; NSC-354843; NCI60_003192; 1,5-Anhydro-6-deoxy-1-(1-hydroxy-10,12-dimethoxy-8-methyl-6-oxo-6H-benzo[d]naphtho[1,2-b]pyran-4-yl)-3-C-methylhexitol; 1-hydroxy-10,12-dimethoxy-8-methyl-4-(3,4,5-trihydroxy-4,6-dimethyl-2-oxanyl)-6-naphtho[1,2-c][2]benzopyranone; 1-hydroxy-10,12-dimethoxy-8-methyl-4-(3,4,5-trihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)naphth[1,2-c]isochromen-6-one; 4-[4,6-dimethyl-3,4,5-tris(oxidanyl)oxan-2-yl]-10,12-dimethoxy-8-methyl-1-oxidanyl-naphtho[1,2-c]isochromen-6-one; 6H-Benzo(d)naphtho(1,2-b)pyran-6-one, 4-(6-deoxy-3-C-methyl-beta-gulopyranosyl)-1-hydroxy-10,12-dimethoxy-8-methyl-; 6H-Benzo[d]naphtho[1, 4-(6-deoxy-3-C-methyl-.beta.-D-gulopyranosyl)-1-hydroxy-10,12-dimethoxy-8-methyl-; NCGC00380588-01!1-hydroxy-10,12-dimethoxy-8-methyl-4-(3,4,5-trihydroxy-4,6-dimethyloxan-2-yl)naphtho[1,2-c]isochromen-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	354843	.	.	.	.	496.5	C27H28O9	135	823	2.5	36	4	9	3	"InChI=1S/C27H28O9/c1-11-8-15-19(17(9-11)33-4)14-10-18(34-5)21-16(28)7-6-13(20(21)22(14)36-26(15)31)23-25(30)27(3,32)24(29)12(2)35-23/h6-10,12,23-25,28-30,32H,1-5H3"	CC1C(C(C(C(O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C)OC)OC)O)(C)O)O	BJPYMDSMDBCKEP-UHFFFAOYSA-N
DG51035	3'-Deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin	174734	"Cyanomorpholinoadriamycin; 3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin; 3'-(3-Cyano-4-morpholinyl)-3'-deamino-adriamycin; 89196-08-7; Mra-CN; 4-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]morpholine-3-carbonitrile; 88254-07-3; (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-(3-cyanomorpholin-4-yl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside; 3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-DOXORUBICIN; NSC357704; MRA CN; 3'-3CN-4morphAdriamycin; SCHEMBL3342594; CHEBI:41576; (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-[(3S)-3-cyanomorpholin-4-yl]-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside; alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl-12-imino-13-dihydroadriamycin; (8S-cis)-10-((3-((S)-3-Cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione; 10-((3-((S)-3-Cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione (8S-cis)-; 5,12-Naphthacenedione, 10-((3-((S)-3-cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-; 3'-Deamino-3'-(3-cyano-4-morpholinyl)adriamycin; Q27120430; 4-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]tetrahydropyran-4-yl]morpholine-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357704	.	.	.	.	638.6	C32H34N2O12	216	1240	2	46	5	14	6	"InChI=1S/C32H34N2O12/c1-14-27(37)18(34-6-7-44-13-15(34)11-33)8-22(45-14)46-20-10-32(42,21(36)12-35)9-17-24(20)31(41)26-25(29(17)39)28(38)16-4-3-5-19(43-2)23(16)30(26)40/h3-5,14-15,18,20,22,27,35,37,39,41-42H,6-10,12-13H2,1-2H3/t14-,15 ,18-,20-,22-,27+,32-/m0/s1"	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOCC6C#N)O	YIMDLWDNDGKDTJ-QLKYHASDSA-N
DG51036	"3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate"	175110	"72670-62-3; 3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate; Compound 77-6; Cdri 77-6; NSC293061; Cdri-77-6; 3,5-Dibromo-2-chloro-4-isothiocyanatosalicylanilide; CHEMBL1998767; DTXSID20222984; ZINC1566138; NSC 293061; NSC-293061; 3,5-dibromo-2'-chloro-4'-isothiocyanatosalicylanilide; Benzamide, 3,5-dibromo-N-(2-chloro-4-isothiocyanatophenyl)-2-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	293061	.	.	.	.	462.5	C14H7Br2ClN2O2S	93.8	464	6.4	22	2	4	3	"InChI=1S/C14H7Br2ClN2O2S/c15-7-3-9(13(20)10(16)4-7)14(21)19-12-2-1-8(18-6-22)5-11(12)17/h1-5,20H,(H,19,21)"	C1=CC(=C(C=C1N=C=S)Cl)NC(=O)C2=C(C(=CC(=C2)Br)Br)O	HIJLHRKFBDDOIL-UHFFFAOYSA-N
DG51038	"1,4-Bis(oxiran-2-ylmethoxy)anthracene-9,10-dione"	176718	"98298-55-6; 1,4-bis(oxiran-2-ylmethoxy)anthracene-9,10-dione; NSC673350; CHEMBL107087; SCHEMBL10417431; DTXSID40913342; NSC-673350; NCI60_025984; 1,4-Bis(oxiranylmethoxy)anthracene-9,10-dione; 1,4-Bis[(oxiran-2-yl)methoxy]anthracene-9,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673350	.	.	.	.	352.3	C20H16O6	77.7	527	2.2	26	0	6	6	"InChI=1S/C20H16O6/c21-19-13-3-1-2-4-14(13)20(22)18-16(26-10-12-8-24-12)6-5-15(17(18)19)25-9-11-7-23-11/h1-6,11-12H,7-10H2"	C1C(O1)COC2=C3C(=C(C=C2)OCC4CO4)C(=O)C5=CC=CC=C5C3=O	TVXSGQKVOUXJCZ-UHFFFAOYSA-N
DG51039	Cilengitide	176873	"Cilengitide; 188968-51-6; EMD 121974; EMD-121974; UNII-4EDF46E4GI; 2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid; EMD121974; Cyclo(L-arginylglycyl-L-alpha-aspartyl-D-phenylalanyl-N-methyl-L-valyl); EMD-12192; 4EDF46E4GI; CHEMBL429876; 2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-8-isopropyl-7-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl)acetic acid; cyclo(L-arginylglycyl-L-a-aspartyl-D-phenylalanyl-N-methyl-L-valyl); Cilengitide [USAN:INN]; EMD-85189; cyclo-(Arg-Gly-Asp-DPhe-NMeVal); NSC-707544; C27H40N8O7; c(RGDfMeV); cyclic-Arg-Gly-Asp-D-Phe(N-methyl)Val; Cyclo(L-arginylglycyl-L-aspartyl-D-phenylalanyl-N-methyl-L-valyl); Cilengitide (USAN/INN); cyclo(arginyl-glycyl-formylaspartyl-N-methylvalyl); SCHEMBL34082; GTPL6597; DTXSID9044035; CHEBI:177833; EX-A1775; ZINC3952216; Cilengitide trifluoroacetic acid salt; 2322AH; BDBM50235980; NSC774651; s6387; AKOS024257893; CS-1211; cyclo(Arg-Gly-Asp-D-Phe-[N-Me]Val); DB11890; NSC-774651; NCGC00386242-02; NCGC00386242-04; AS-72195; HY-16141; SW220134-1; D03497; 968C516; A924615; Q1091921; [(2S,5R,8S,11S)-5-benzyl-11-(3-guanidino-propyl)-8-isopropyl-7-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-acetic acid; 2-[(2S,5R,8S,11S)-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-5-(phenylmethyl)-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid; 2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopropyl)-7-methyl-3,6,9,12,15-pentaoxo-8-(propan-2-yl)-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774651	.	.	.	.	588.7	C27H40N8O7	238	1020	-1	42	7	8	9	"InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1"	CC(C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N	AMLYAMJWYAIXIA-VWNVYAMZSA-N
DG51040	Agelastatin A	177936	"Agelastatin A; (-)-Agelastatin A; 152406-28-5; Agelastatine A; (1R,9S,10S,14S)-3-bromo-14-hydroxy-13-methyl-2,8,11,13-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione; SCHEMBL4745999; CHEMBL1096256; DTXSID60934493; NSC786147; NSC-786147; 1-Bromo-7,8a-dihydroxy-8-methyl-5a,5b,8,8a,9,9a-hexahydroimidazo[4',5':4,5]cyclopenta[1,2-e]pyrrolo[1,2-a]pyrazin-4(5H)-one; 7MB; Imidazo(4',5':4,5)cyclopenta(1,2-e)pyrrolo(1,2-a)pyrazine-4,7-dione, 1-bromo-5,5a,5b,6,8,8a,9,9a-octahydro-8a-hydroxy-8-methyl-, (5aS-(5aalpha,5bbeta,8abeta,9aalpha))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	786147	.	.	.	.	341.16	C12H13BrN4O3	86.6	503	-0.3	20	3	3	0	"InChI=1S/C12H13BrN4O3/c1-16-11(19)15-9-8-6(4-12(9,16)20)17-5(10(18)14-8)2-3-7(17)13/h2-3,6,8-9,20H,4H2,1H3,(H,14,18)(H,15,19)/t6-,8-,9+,12+/m1/s1"	CN1C(=O)N[C@@H]2[C@]1(C[C@@H]3[C@H]2NC(=O)C4=CC=C(N34)Br)O	MPASKXAEPUAMBS-WJOUQXRDSA-N
DG51041	Cryptolepinone	178034	"Cryptolepinone; Hydroxycryptolepine; NSC669520; UNII-RLM5790QIR; RLM5790QIR; 178884-07-6; 5-Methyl-5H-quindolin-11-ol; 5H-Quindolin-11-ol, 5-methyl-; 11-Hydroxy-5-methyl-5H-quindoline; 5-methyl-10H-indolo[3,2-b]quinolin-11-one; 160113-29-1; CHEMBL504189; SCHEMBL9394723; RSDQEJTWGFZASQ-UHFFFAOYSA-; NSC 669520; NSC-669520; NCI60_024256; 5,10-Dihydro-5-methyl-11H-quindolin-11-one; 11H-Quindolin-11-one, 5,10-dihydro-5-methyl-; 5-Methyl-5,10-dihydro-11H-indolo[3,2-b]quinolin-11-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669520	.	.	.	.	248.28	C16H12N2O	36.1	383	3.6	19	1	2	0	"InChI=1S/C16H12N2O/c1-18-13-9-5-3-7-11(13)16(19)14-15(18)10-6-2-4-8-12(10)17-14/h2-9,17H,1H3"	CN1C2=CC=CC=C2C(=O)C3=C1C4=CC=CC=C4N3	RSDQEJTWGFZASQ-UHFFFAOYSA-N
DG51042	"3,4-dihydro-3,3-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione"	178515	"NSC662425; UNII-U0UD40MVH3; NSC 662425; U0UD40MVH3; 138779-63-2; 3,4-dihydro-3,3-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione; 3,4-Dihydro-3,3-dimethyl-2H-naphtho(2,3-b)pyran-5,10-dione; Naphthopyran der.; 3,3-dimethyl-2,4-dihydrobenzo[g]chromene-5,10-dione; CHEMBL511007; DTXSID10160780; NSC-662425; NCI60_021615; 3,3-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione; 2H-Naphtho(2,3-b)pyran-5,10-dione, 3,4-dihydro-3,3-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662425	.	.	.	.	242.27	C15H14O3	43.4	445	2.9	18	0	3	0	"InChI=1S/C15H14O3/c1-15(2)7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)18-8-15/h3-6H,7-8H2,1-2H3"	CC1(CC2=C(C(=O)C3=CC=CC=C3C2=O)OC1)C	ULXYWPKYMYLJBG-UHFFFAOYSA-N
DG51043	"Spiro(5H-dibenzo(a,d)cycloheptene-5,2'(5'H)-furan)-5'-one, 3',4'-dehydro-4'-methylene-"	179616	"NSC637828; UNII-XMV5IO689C; XMV5IO689C; Spiro(5H-dibenzo(a,d)cycloheptene-5,2'(5'H)-furan)-5'-one, 3',4'-dehydro-4'-methylene-; 52978-89-9; NSC 637828; CHEMBL1979543; DTXSID60201016; NSC-637828; NCI60_012598; 3-Methylene-6,7:10,11-dibenz-1-oxaspiro(4.6)undec-8-en-2-one; Spiro[5H-dibenzo[a,2'(3'H)-furan]-5'-one, 4',5'-dihydro-4'-methylene-; 3'-methylenespiro[dibenzo[[ ],[ ]][7]annulene-11,5'-tetrahydrofuran]-2'-one; Spiro[5H-dibenzo[a,d]cycloheptene-5,2'(5'H)-furan]-5'-one, 3',4'-dihydro-4'-methylene-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637828	.	.	.	.	274.3	C19H14O2	26.3	464	4.3	21	0	2	0	"InChI=1S/C19H14O2/c1-13-12-19(21-18(13)20)16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)19/h2-11H,1,12H2"	C=C1CC2(C3=CC=CC=C3C=CC4=CC=CC=C42)OC1=O	HTMGHHHTOIMYDF-UHFFFAOYSA-N
DG51044	"Spiro(5H-dibenzo(a,d)cycloheptene-5,2'(5'H)-furan)-5'-one, 3',4',10,11-tetrahydro-4'-methylene-"	179617	"NSC637827; UNII-F919POH697; MLS002701677; F919POH697; 52978-90-2; Spiro(5H-dibenzo(a,d)cycloheptene-5,2'(5'H)-furan)-5'-one, 3',4',10,11-tetrahydro-4'-methylene-; Spiro[5H-dibenzo[a,d]cycloheptene-5,2'(5'H)-furan]-5'-one, 3',4',10,11-tetrahydro-4'-methylene-; NSC 637827; CHEMBL1704518; DTXSID20201017; 3-Methylene-6,7:10,11-dibenz-1-oxaspiro(4.6)undecan-2-one; ZINC1625336; NSC-637827; NCI60_012597; SMR001565275; 3'-methylenespiro[5,6-dihydrodibenzo[[ ],[ ]][7]annulene-11,5'-tetrahydrofuran]-2'-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637827	.	.	.	.	276.3	C19H16O2	26.3	429	4.1	21	0	2	0	"InChI=1S/C19H16O2/c1-13-12-19(21-18(13)20)16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)19/h2-9H,1,10-12H2"	C=C1CC2(C3=CC=CC=C3CCC4=CC=CC=C42)OC1=O	GHIMMECAKCIHTG-UHFFFAOYSA-N
DG51045	8-Methoxycirsilineol	181092	"8-Methoxycirsilineol; 7-Methylsudachitin; 16520-78-8; NSC654971; UNII-72Y87O5H1X; NSC-654971; 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7,8-trimethoxychromen-4-one; CHEMBL74272; 72Y87O5H1X; 5,4'-Dihidroxy-6,7,8,3'-tetramethoxyflavone; 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one; 7-O-Methylsudachietin; 4',5-Dihydroxy-3',6,7,8-tetramethoxy-flavone; SCHEMBL10997058; DTXSID40937048; BDBM50412268; LMPK12111475; NCI60_019001; XM177967; 5,4'-dihydroxy-6,7,8,3'-tetramethoxyflavone; Q27266108; 5-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6,7,8-trimethoxy-chromen-4-one; 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7,8-trimethoxy-4H-chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654971	.	.	.	.	374.3	C19H18O8	104	564	2.9	27	2	8	5	"InChI=1S/C19H18O8/c1-23-13-7-9(5-6-10(13)20)12-8-11(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3"	COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O	UBZBPKARIHPOEC-UHFFFAOYSA-N
DG51046	Anhydrolycorinium chloride	181302	"ANHYDROLYCORINIUM CHLORIDE; NSC270693; 61221-42-9; Deoxylycobetaine chloride; NSC 270693; CHEMBL479292; DTXSID40976730; NSC-270693; [1,5-j]pyrrolo[3,2,1-de]phenanthridinium, 4,5-dihydro-, chloride; (1,3)Dioxolo(4,5-j)pyrrolo(3,2,1-de)phenanthridinium, 4,5-dihydro-, chloride; 4,5-Dihydro-10H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-6-ium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	270693	.	.	.	.	285.72	C16H12ClNO2	22.3	374	.	20	0	3	0	"InChI=1S/C16H12NO2.ClH/c1-2-10-4-5-17-8-11-6-14-15(19-9-18-14)7-13(11)12(3-1)16(10)17;/h1-3,6-8H,4-5,9H2;1H/q+1;/p-1"	C1C[N+]2=CC3=CC4=C(C=C3C5=CC=CC1=C52)OCO4.[Cl-]	YUKCDVBATKXVAK-UHFFFAOYSA-M
DG51047	Hemigossypolone	182249	"Hemigossypolone; NSC650936; 35688-47-2; Para-Hemigossypolone; CHEMBL1988313; DTXSID10189193; CHEBI:174602; 2,3-dihydroxy-6-methyl-5,8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehyde; NSC-650936; NCI60_017780; 8-formyl-6,7-dihydroxy-5-isopropyl-3-methylnaphthoquinone; 5-Formyl-6,7-dihydroxy-8-isopropyl-2-methyl-1,4-naphthoquinone; 2,3-dihydroxy-4-isopropyl-6-methyl-5,8-dioxo-naphthalene-1-carbaldehyde; 2,3-Dihydroxy-4-isopropyl-6-methyl-5,8-dioxo-5,8-dihydro-1-naphthalenecarbaldehyde; 2,3-dihydroxy-6-methyl-5,8-dioxo-4-(propan-2-yl)-5,8-dihydronaphthalene-1-carbaldehyde; 5,8-Dihydro-2,3-dihydroxy-6-methyl-4-(1-methylethyl)-5,8-dioxo-1-naphthalenecarboxaldehyde, 9CI"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650936	.	.	.	.	274.27	C15H14O5	91.7	479	2.3	20	2	5	2	"InChI=1S/C15H14O5/c1-6(2)10-12-11(8(5-16)14(19)15(10)20)9(17)4-7(3)13(12)18/h4-6,19-20H,1-3H3"	CC1=CC(=O)C2=C(C(=C(C(=C2C1=O)C(C)C)O)O)C=O	CERPPXZGSNEVMI-UHFFFAOYSA-N
DG51048	4-((3-Quinolinylmethyl)amino)benzenesulfonamide	182334	4-((3-quinolinylmethyl)amino)benzenesulfonamide; 62294-82-0; NSC299209; 4-(quinolin-3-ylmethylamino)benzenesulfonamide; MLS003115732; 3-(N-(4-Amidosulfonylphenyl)aminomethyl)quinoline; NSC-299209; NCIStruc1_001844; NCIStruc2_001479; CHEMBL1742112; DTXSID30211349; ZINC1871679; CCG-37068; NCGC00014668; NCI299209; NSC 299209; NCGC00014668-02; NCGC00097771-01; NCI60_002509; SMR001831303; DS-014425	.	.	Investigative Drug(s)	Investigative	Small molecular drug	299209	.	.	.	.	313.4	C16H15N3O2S	93.5	455	2.2	22	2	5	4	"InChI=1S/C16H15N3O2S/c17-22(20,21)15-7-5-14(6-8-15)18-10-12-9-13-3-1-2-4-16(13)19-11-12/h1-9,11,18H,10H2,(H2,17,20,21)"	C1=CC=C2C(=C1)C=C(C=N2)CNC3=CC=C(C=C3)S(=O)(=O)N	QOKXTFFZAZKIAD-UHFFFAOYSA-N
DG51049	Linichlorin A	182337	"Linichlorin A; Elegin; 62462-98-0; [(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate; 19-Desoxychlorojanerin; NSC304940; LINICHLORINA A; CHEMBL4291503; DTXSID00978033; ZINC4073948; AKOS030502077; MCULE-5398302587; NSC-304940; 2-Propenoic acid, 9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, [3aR-(3a.alpha.,4.alpha.,6a.alpha.,8.beta.,9.alpha.,9a.alpha.,9b.beta.)]-; 9-(Chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxododecahydroazuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	304940	.	.	.	.	382.8	C19H23ClO6	93.1	700	1.6	26	2	6	4	"InChI=1S/C19H23ClO6/c1-8(2)17(22)25-12-5-9(3)11-6-13(21)19(24,7-20)15(11)16-14(12)10(4)18(23)26-16/h11-16,21,24H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19+/m0/s1"	CC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H]([C@@]([C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)(CCl)O)O	ONMAQPPVCANFPB-URUZQALBSA-N
DG51050	Mivobulin isethionate	182762	"Mivobulin isethionate; 126268-81-3; CI-980; UNII-8J08028R66; 126268-81-3 (Isethionate); NSC-635370; 8J08028R66; Ethyl (S)-5-amino-1,2-dihydro-2-methyl-3-phenylpyrido(3,4-b)pyrazine-7-carbamate, mono(2-hydroxyethanesulfonate); Mivobulin isethionate (USAN); Mivobulin isethionate [USAN]; NSC-613862; NSC-370147; NSC 635370; SCHEMBL4191; CHEMBL1965985; ANTINEOPLASTIC-635370; DTXSID50155130; CI980; NSC635370; NSC-350386; NCI60_011758; NSC-635370 [(1:1) salt]; NSC-613863 [(+)-(R)-isomer]; D05062; 268M813; Q27270603; Carbamic acid,2-dihydro-2-methyl-3-phenylpyrido[3,4-b]pyrazin-7-yl)-, ethyl ester, (S)-; Carbamic acid, (5-amino-1,2-dihydro-2-methyl-3-phenylpyrido(3,4-b)pyrazin-7-yl) ethyl ester, (S)-, mono(2-hydroxyethanesulfonate); Carbamic acid,2-dihydro-2-methyl-3-phenylpyrido[3,4-b]pyrazin-7-yl)-, ethyl ester, (2S)-, mono(2-hydroxyethanesulfonate); Ethanesulfonic acid, compd. with ethyl N-[(2S)-5-amino-1,2-dihydro-2-methyl-3-phenylpyrido[3,4-b]pyrazin-7-yl]carbamate (1:1); Ethyl (S)-(5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate 2-hydroxyethane-1-sulfonate; ethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate;2-hydroxyethanesulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635370	.	.	.	.	451.5	C19H25N5O6S	185	595	.	31	5	10	6	"InChI=1S/C17H19N5O2.C2H6O4S/c1-3-24-17(23)21-13-9-12-15(16(18)20-13)22-14(10(2)19-12)11-7-5-4-6-8-11;3-1-2-7(4,5)6/h4-10,19H,3H2,1-2H3,(H3,18,20,21,23);3H,1-2H2,(H,4,5,6)/t10-;/m0./s1"	CCOC(=O)NC1=NC(=C2C(=C1)N[C@H](C(=N2)C3=CC=CC=C3)C)N.C(CS(=O)(=O)O)O	JEFPWOBULVSOTM-PPHPATTJSA-N
DG51051	Cedronin	183337	"Cedronin; Cedronine; 111567-19-2; 7-epi-Cedronin; 9,12,18-trihydroxy-4,11,15-trimethyl-3,7-dioxapentacyclo[8.8.0.01,5.04,8.011,16]octadec-14-ene-6,13-dione; CEDRONINE STEREOISOMER; DTXSID30912223; NSC267707; NSC283437; NSC-267707; NSC-283437; (1R-(1alpha,2alpha,5alpha,5aalpha,6beta,7abeta,11alpha,11aalpha,11bbeta,14S*))-1,7,7a,11,11a,11b-Hexahydro-1,6,11-trihydroxy-8,11,14-trimethyl-2H-5a,2,5-(methanoxymethano)naphth(1,2-d)oxepin-4,10(5H,6H)-dione; 111614-53-0; 1,6,11-Trihydroxy-8,11a,14-trimethyl-1,7,7a,11,11a,11b-hexahydro-2H-2,5,5a-(methanetriyloxymethano)naphtho[1,2-d]oxepine-4,10(5H,6H)-dione; 2H-5a,2,5-(Methanoxymethano)naphth(1,2-d)oxepin-4,10(5H,6H)-dione, 1,7,7a,11,11a,11b-hexahydro-1,6,11-trihydroxy-8,11,14-trimethyl-, (1R-(1alpha,2alpha,5alpha,5aalpha,6beta,7abeta,11alpha,11aalpha,11bbeta,14S*))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	267707	.	.	.	.	364.4	C19H24O7	113	761	-1	26	3	7	0	"InChI=1S/C19H24O7/c1-7-4-9(20)14(23)17(2)8(7)5-10(21)19-6-25-18(3)13(19)16(24)26-15(18)11(22)12(17)19/h4,8,10-15,21-23H,5-6H2,1-3H3"	CC1=CC(=O)C(C2(C1CC(C34C2C(C5C(C3C(=O)O5)(OC4)C)O)O)C)O	FNBJCARFLWAAPK-UHFFFAOYSA-N
DG51052	N-(2-Dimethylaminoethyl)-9-oxo-9H-xanthene-4-carboxamide hydrochloride	183394	N-(2-Dimethylaminoethyl)-9-oxo-9H-xanthene-4-carboxamide hydrochloride; 112022-23-8; NSC617956; CHEMBL2000939; DTXSID50149832; NSC-617956	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617956	.	.	.	.	346.8	C18H19ClN2O3	58.6	452	.	24	2	4	4	"InChI=1S/C18H18N2O3.ClH/c1-20(2)11-10-19-18(22)14-8-5-7-13-16(21)12-6-3-4-9-15(12)23-17(13)14;/h3-9H,10-11H2,1-2H3,(H,19,22);1H"	CN(C)CCNC(=O)C1=CC=CC2=C1OC3=CC=CC=C3C2=O.Cl	WRKVHGNZPOIJPQ-UHFFFAOYSA-N
DG51053	"10H-Phenothiazine-1-carboxamide, N-(2-(dimethylamino)ethyl)-, monohydrochloride"	183397	"10H-Phenothiazine-1-carboxamide, N-(2-(dimethylamino)ethyl)-, monohydrochloride; 112022-27-2; NSC617957; NSC 617957; N-(2-Dimethylaminoethyl)-10H-phenothiazine-1-carboxamide hydrochloride; CHEMBL1997367; DTXSID70149834; NSC-617957"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617957	.	.	.	.	349.9	C17H20ClN3OS	69.7	390	.	23	3	4	4	"InChI=1S/C17H19N3OS.ClH/c1-20(2)11-10-18-17(21)12-6-5-9-15-16(12)19-13-7-3-4-8-14(13)22-15;/h3-9,19H,10-11H2,1-2H3,(H,18,21);1H"	CN(C)CCNC(=O)C1=C2C(=CC=C1)SC3=CC=CC=C3N2.Cl	FVMCEKURGLZQBR-UHFFFAOYSA-N
DG51054	Almeine	183727	"Almeine; 125762-58-5; Almein; (+-)-Almeine; NSC633788; CHEMBL1991484; DTXSID80925262; NSC-633788; NCI60_011232; 5-Methyl-2-(prop-1-en-2-yl)-3,5-dihydrofuro[3,2-c]quinolin-4(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633788	.	.	.	.	241.28	C15H15NO2	29.5	438	2.6	18	0	2	1	"InChI=1S/C15H15NO2/c1-9(2)13-8-11-14(18-13)10-6-4-5-7-12(10)16(3)15(11)17/h4-7,13H,1,8H2,2-3H3"	CC(=C)C1CC2=C(O1)C3=CC=CC=C3N(C2=O)C	DXOQSCPOXTUANK-UHFFFAOYSA-N
DG51055	"1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-8-carboxaldehyde, 4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-"	184077	"109466-93-5; NSC606172; NSC 606172; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-8-carboxaldehyde, 4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-; Neuro_000229; CHEMBL50197; 11-Formyl-20(RS)-camptothecin; DTXSID40911202; NSC-606172; NCI60_004654; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-8- carboxaldehyde, 4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14- dioxo-, (+-)-; 4-Ethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8-carbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606172	.	.	.	.	376.4	C21H16N2O5	96.8	818	0.4	28	1	6	2	"InChI=1S/C21H16N2O5/c1-2-21(27)15-7-17-18-13(6-12-4-3-11(9-24)5-16(12)22-18)8-23(17)19(25)14(15)10-28-20(21)26/h3-7,9,27H,2,8,10H2,1H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C(C=CC5=C4)C=O)O	AMDHQGZVCWWZCS-UHFFFAOYSA-N
DG51056	"3,3':4',3''-Terthiophene"	184440	"3,3':4',3''-Terthiophene; 105124-98-9; UNII-Y7O1CPR2TH; NSC700232; Y7O1CPR2TH; 3,4-di(thiophen-3-yl)thiophene; NSC 700232; 3,4-bis(3-thienyl)thiophene; CHEMBL1967882; SCHEMBL22734811; DTXSID90909351; 4-(thiophen-3-yl)-3,3'-bithiophene; NSC-700232; NCI60_035966; 1~3~,2~3~:2~4~,3~3~-Terthiophene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700232	.	.	.	.	248.4	C12H8S3	84.7	197	4.2	15	0	3	2	InChI=1S/C12H8S3/c1-3-13-5-9(1)11-7-15-8-12(11)10-2-4-14-6-10/h1-8H	C1=CSC=C1C2=CSC=C2C3=CSC=C3	GGJALWBSCQLFFP-UHFFFAOYSA-N
DG51057	"Benzamide, N-(5-chloro-2-methoxyphenyl)-2-hydroxy-3-nitro-"	186169	"UNII-H06U8IR75A; MLS002701918; CHEMBL458114; H06U8IR75A; 33581-05-4; Benzamide, N-(5-chloro-2-methoxyphenyl)-2-hydroxy-3-nitro-; n-(5-chloro-2-methoxyphenyl)-2-hydroxy-3-nitrobenzamide; NSC79459; NSC 79459; o-Salicylanisidide, 5'-chloro-3-nitro-; cid_186169; SCHEMBL7160891; DTXSID10955214; BDBM50275167; NSC-79459; NCI60_041753; SMR001565502; DS-009744; 5'-Chloro-2'-methoxy-3-nitrosalicylanilide; N-(5-chloro-2-methoxyphenyl)-2-hydroxy-3-nitro-benzamide; N-(5-Chloro-2-methoxyphenyl)-2-hydroxy-3-nitrobenzene-1-carboximidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79459	.	.	.	.	322.7	C14H11ClN2O5	104	417	3.4	22	2	5	3	"InChI=1S/C14H11ClN2O5/c1-22-12-6-5-8(15)7-10(12)16-14(19)9-3-2-4-11(13(9)18)17(20)21/h2-7,18H,1H3,(H,16,19)"	COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O	SXKNMJHRHWIFCI-UHFFFAOYSA-N
DG51058	"Benzamide, N-(2,4-dimethylphenyl)-2-hydroxy-3-nitro-"	186171	"33581-08-7; n-(2,4-dimethylphenyl)-2-hydroxy-3-nitrobenzamide; NSC79456; Benzamide, N-(2,4-dimethylphenyl)-2-hydroxy-3-nitro-; CHEMBL458830; Benzamide, N- (2,4-dimethylphenyl)-2-hydroxy-3-nitro-; 2',4'-Salicyloxylidide, 3-nitro-; NSC 79456; WR 25818; NCIMech_000441; SCHEMBL2060501; DTXSID90955217; 3-Nitro-2',4'-salicyloxylidide; BDBM50275168; CCG-35523; NSC-79456; 2',4'-Dimethyl-3-nitrosalicylanilide; NCI60_041752; DS-009743; Benzamide,4-dimethylphenyl)-2-hydroxy-3-nitro-; N-(2,4-dimethylphenyl)-2-hydroxy-3-nitro-benzamide; N-(2,4-Dimethylphenyl)-2-hydroxy-3-nitrobenzene-1-carboximidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79456	.	.	.	.	286.28	C15H14N2O4	95.2	396	3.5	21	2	4	2	"InChI=1S/C15H14N2O4/c1-9-6-7-12(10(2)8-9)16-15(19)11-4-3-5-13(14(11)18)17(20)21/h3-8,18H,1-2H3,(H,16,19)"	CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O)C	CBRBNMYCBQPPAE-UHFFFAOYSA-N
DG51059	"1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid"	189011	"NSC623959; 10022-82-9; 1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid; 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid; Harman-3-carbonsaure; gallium8-hydroxyquinolinate; SCHEMBL1520351; 1-Methyl-3,4-dihydro-beta-carboline-3-carboxylic acid; CHEMBL1209033; SCHEMBL21379762; DTXSID70905275; NSC-623959; NCI60_007178; FT-0778006; 1-Methyl-4,9-dihydro-3H-.beta.-carboline-3-carboxylic acid; 3H-Pyrido(3,4-b)indole-3-carboxylic acid, 4,9-dihydro-1-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623959	.	.	.	.	228.25	C13H12N2O2	65.4	366	1.9	17	2	3	1	"InChI=1S/C13H12N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-5,11,15H,6H2,1H3,(H,16,17)"	CC1=NC(CC2=C1NC3=CC=CC=C23)C(=O)O	DEAAKPHRJVNJBN-UHFFFAOYSA-N
DG51060	"5-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one"	189214	"5-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one; NSC657807; 114529-11-2; (1S)-5-Oxo-borneol; 2-Exo-hydroxy-5-ketobornane; 6-Hydroxy-1,7,7-trimethylbicyclo(2.2.1)heptan-3-one; CHEMBL1967176; SCHEMBL23365823; DTXSID70921410; STL229421; AKOS000267703; MCULE-2686335795; NSC-657807; NCI60_020150; 5-hydroxy-4,7,7-trimethyl-norbornan-2-one; A806222; 5-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one #; 5-hydroxy-4,7,7-trimethyl-norbornan-2-one;2-Methyl-5-nitroanisole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657807	.	.	.	.	168.23	C10H16O2	37.3	244	1.1	12	1	2	0	"InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6,8,12H,4-5H2,1-3H3"	CC1(C2CC(C1(CC2=O)C)O)C	ASKUROQIUGODMQ-UHFFFAOYSA-N
DG51061	"8,9-Dimethoxycamptothecin"	190756	"8,9-Dimethoxycamptothecin; 104155-88-6; NSC328410; 4-Ethyl-4-hydroxy-8,9-dimethoxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; 10,11-Dimethoxy-20(RS)camptothecin; CHEMBL50508; DTXSID60908831; ethyl-hydroxy-dimethoxy-[ ]dione; NSC-328410; NCI60_002854; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-8,9-dimethoxy-; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 4-ethyl-4-hydroxy-8, 9-dimethoxy-, (+-)-; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 4-ethyl-4-hydroxy-8,9-dimethoxy-, (+-)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328410	.	.	.	.	408.4	C22H20N2O6	98.2	838	0.9	30	1	7	3	"InChI=1S/C22H20N2O6/c1-4-22(27)14-7-16-19-12(9-24(16)20(25)13(14)10-30-21(22)26)5-11-6-17(28-2)18(29-3)8-15(11)23-19/h5-8,27H,4,9-10H2,1-3H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C(C(=CC5=C4)OC)OC)O	IYAQFMAQDYIFSH-UHFFFAOYSA-N
DG51062	"Camptothecin, 10-amino-"	190763	"104195-62-2; NSC369395; (+-)-10-NH2-Camptothecin; (.+-.)-10-Aminocamptothecin; Camptothecin, 10-amino-; 1H-Pyrano3,4:6,7indolizino1,2-bquinoline-3,14(4H,12H)-dione, 9-amino-4-ethyl-4-hydroxy-; 7-amino-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione; 9-Amino-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; CHEMBL48156; DTXSID70908842; NSC-369395; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 9-amino-4-ethyl-4-hydroxy-; NCI60_003405; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline3,14(4H,12H)-dione, 9-amino-4-ethyl-4-hydroxy-, (+ -)-; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline3,14(4H, 12H)-dione, 9-amino-4-ethyl-4-hydroxy-, (+-)-; 4-ethyl-4-hydroxy-9-amino-1h-pyrano[3',4':6,7] indolizino [1,2-b]quinoline-3,14(4h,12h)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	369395	.	.	.	.	363.4	C20H17N3O4	106	775	0.3	27	2	6	1	"InChI=1S/C20H17N3O4/c1-2-20(26)14-7-16-17-11(5-10-6-12(21)3-4-15(10)22-17)8-23(16)18(24)13(14)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)N)O	MVUUMBZAHAKPKQ-UHFFFAOYSA-N
DG51063	10-Hydroxy-9-nitrocamptothecin	190791	"104267-73-4; 9-Hydroxy-10-nitrocamptothecin; 10-HYDROXY-9-NITROCAMPTOTHECIN; 9-Nitro-10-hydroxycamptothecin; (19S)-19-ethyl-7,19-dihydroxy-8-nitro-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione; CHEMBL77259; SCHEMBL7630265; CPT-109; DTXSID10908881; AMY24953; ZINC5422755; NSC603076; NSC-603076; 9-Nitro-10-hydroxy-20(S)-camptothecin; 10-hydroxy-9-nitrocamptothecin, AldrichCPR; H11761; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4,9-dihydroxy-10-nitro-, (4S)-; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 4-ethyl-4,9-dihydroxy-10-nitro-, (S)-; 4-Ethyl-4,9-dihydroxy-10-nitro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603076	.	.	.	.	409.3	C20H15N3O7	146	893	1	30	2	8	1	"InChI=1S/C20H15N3O7/c1-2-20(27)12-6-14-16-9(7-22(14)18(25)11(12)8-30-19(20)26)5-10-13(21-16)3-4-15(24)17(10)23(28)29/h3-6,24,27H,2,7-8H2,1H3/t20-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5[N+](=O)[O-])O)N=C4C3=C2)O	DTZABKRGTMUGCV-FQEVSTJZSA-N
DG51064	5-Benzyloxybenzylbarbituric acid	192294	"5-Benzyloxybenzylbarbituric acid; 138660-08-9; 5-(m-Benzyloxy)benzylbarbituric Acid; NSC685357; SCHEMBL1495218; DTXSID70160741; 5-[(3-phenylmethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione; 5-(3-Benzyloxybenzyl)barbituric acid; NSC-685357; 5-[3-(Benzyloxy)benzyl]barbituric acid; NCI60_030689; 5-(3-(Benzyloxy)benzyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-[(3-benzyloxyphenyl)methyl]hexahydropyrimidine-2,4,6-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685357	.	.	.	.	324.3	C18H16N2O4	84.5	467	2.3	24	2	4	5	"InChI=1S/C18H16N2O4/c21-16-15(17(22)20-18(23)19-16)10-13-7-4-8-14(9-13)24-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H2,19,20,21,22,23)"	C1=CC=C(C=C1)COC2=CC=CC(=C2)CC3C(=O)NC(=O)NC3=O	LHGZUAAZPCYFIW-UHFFFAOYSA-N
DG51065	"Ethyl (6-ethoxy-1,3-benzothiazol-2-yl)carbamate"	193106	"Sch 18099; 28953-25-5; Sch-18099; ethyl (6-ethoxy-1,3-benzothiazol-2-yl)carbamate; ethyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate; DTXSID50183150; ZINC475747; NSC767188; STK440742; AKOS003325215; MCULE-4278613963; NSC-767188; Ethyl-6-ethoxybenzothiazole-2-carbamate; SR-01000256661; SR-01000256661-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767188	.	.	.	.	266.32	C12H14N2O3S	88.7	291	3.4	18	1	5	5	"InChI=1S/C12H14N2O3S/c1-3-16-8-5-6-9-10(7-8)18-11(13-9)14-12(15)17-4-2/h5-7H,3-4H2,1-2H3,(H,13,14,15)"	CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)OCC	IOVKGYFVWSODCN-UHFFFAOYSA-N
DG51066	N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyanobenzene-sulfonamide	196970	"E7820; 289483-69-8; E-7820; E 7820; 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide; N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyanobenzene-sulfonamide; UNII-TVH5K7949N; TVH5K7949N; Benzenesulfonamide, 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)-; NSC-719239; N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyanobenzenesulfonamide; 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide; O6M; SCHEMBL1581157; ZINC8704; CHEMBL4297376; DTXSID20183142; 3-Cyano-N-(3-cyano-4-methyl-1H-indole-7-yl)benzensulfonamide; BCP25835; EX-A1818; NSC719239; NSC777573; s6628; AKOS032944953; CS-6075; DB12505; NSC-777573; SB16542; BS-16799; HY-14571; ER68203-00; FT-0714239; ER-68203-00; F20780; Q27290435; E-7820;E 7820;ER68203-00; N-(3-cyano-4-methyl-1H -indol-7-yl)3-cyanobenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719239	.	.	.	.	336.4	C17H12N4O2S	118	668	2.4	24	2	5	3	"InChI=1S/C17H12N4O2S/c1-11-5-6-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-4-2-3-12(7-14)8-18/h2-7,10,20-21H,1H3"	CC1=C2C(=CNC2=C(C=C1)NS(=O)(=O)C3=CC=CC(=C3)C#N)C#N	LWGUASZLXHYWIV-UHFFFAOYSA-N
DG51067	Methyl violet	196986	"Methyl violet; Gentian Violet B; 603-47-4; Pentamethyl pararosaniline chloride; UNII-V3Z44MJ9SB; MFCD00012568; V3Z44MJ9SB; 4-[[4-(dimethylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline;hydrochloride; 4-[[4-(dimethylamino)phenyl][4-(methylimino)cyclohexa-2,5-dien-1-ylidene]methyl]-N,N-dimethylaniline monohydrochloride; Methyl Violet 2BN200; 4-((4-(Dimethylamino)phenyl)(4-(methylimino)cyclohexa-2,5-dien-1-ylidene)methyl)-N,N-dimethylaniline monohydrochloride; EINECS 210-042-3; NSC 47731; Methyl Violet dye salt; Benzenamine, 4-((4-(dimethylamino)phenyl)(4-(methylimino)-2,5-cyclohexadien-1-ylidene)methyl)-N,N-dimethyl-, monohydrochloride; Methyl Violet (Crystal Violet); Pyoktanin Blue, SAJ first grade; DTXSID90943876; Pyoktanin Blue, SAJ special grade; Methyl Violet (C.I. 42535); NSC47731; NSC-47731; Methyl Violet 2B (C.I. 42535); PENTAMETHYLPARAROSANILINE CHLORIDE; Benzenamine, N,N-dimethyl-4-((4-(dimethylamino)phenyl)(4-(methylimino)-2,5-cyclohexadien-1-ylidene)methyl)-, monohydrochloride; T318; 3-N-Boc-amino-2-hydroxy-5-methylacetophenone; UNII-H2G44K8M7S component JFTBTTPUYRGXDG-UHFFFAOYSA-N; Methyl violet 2B, certified by the Biological Stain Commission; Aniline,5-cyclohexadien-1-ylidene]methyl]-N,N-dimethyl-, monohydrochloride; Benzenamine,5-cyclohexadien-1-ylidene]methyl]-N,N-dimethyl-, monohydrochloride; 21325-96-2; 4,4'-{[4-(Methylimino)cyclohexa-2,5-dien-1-ylidene]methylene}bis(N,N-dimethylaniline)--hydrogen chloride (1/1); Aniline, p-((p-(dimethylamino)phenyl)(4-(methylimino)-2,5-cyclohexadien-1-ylidene)methyl)-N,N-dimethyl-, monohydrochloride (8CI); Methyl violet, for microscopy (Bact., Bot., Hist.), indicator (pH 0.1-2.0), mixture of polymethylated pararosaniline hydrochlorides"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	47731	.	.	.	.	393.9	C24H28ClN3	18.8	560	.	28	1	3	4	"InChI=1S/C24H27N3.ClH/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5;/h6-17H,1-5H3;1H"	CN=C1C=CC(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C=C1.Cl	JFTBTTPUYRGXDG-UHFFFAOYSA-N
DG51068	"(2,4-Dichlorobenzyl)triphenylphosphonium Chloride"	196999	"(2,4-Dichlorobenzyl)triphenylphosphonium Chloride; 2492-23-1; (2,4-dichlorophenyl)methyl-triphenylphosphanium;chloride; 2,4-Dichlorobenzyltriphenylphosphonium chloride; Phosphonium, [(2,4-dichlorophenyl)methyl]triphenyl-, chloride; Phosphonium,4-dichlorobenzyl)triphenyl-, chloride; EINECS 219-659-2; NSC 110363; NSC 124000; Phosphonium,4-dichlorophenyl)methyl]triphenyl-, chloride; ((2,4-Dichlorophenyl)methyl)triphenylphosphonium chloride; SCHEMBL2121385; CHEMBL1995436; DTXSID20947802; AMY39330; BCP05506; MFCD00031641; NSC124000; AKOS015833180; PHOSPHONIUM, [(2,4-DICHLOROPHENYL)METHYL]TRIPHENYL-, CHLORIDE (1:1); GC10180; MCULE-8706970266; NSC-110363; NSC-124000; DB-046580; D2907; FT-0634324; Triphenyl(2,4-dichlorobenzyl)phosphonium Chloride; J-500579; (2,4-dichlorophenyl)methyl-triphenylphosphanium,chloride; [(2,4-Dichlorophenyl)methyl](triphenyl)phosphanium chloride; Phosphonium, ((2,4-dichlorophenyl)methyl)triphenyl-, chloride (9CI); (2,4-DICHLOROBENZYL)TRIPHENYLPHOSPHONIUM CHLORIDE;PHOSPHONIUM, [(2,4-DICHLOROPHENYL)METHYL]TRIPHENYL-, CHLORIDE (1:1);TRIPHENYL(2,4-DICHLOROBENZYL)PHOSPHONIUM CHLORIDE;[(2,4-DICHLOROPHENYL)METHYL]TRIPHENYLPHOSPHANIUM CHLORIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	110363	.	.	.	.	457.8	C25H20Cl3P	0	418	.	29	0	1	5	"InChI=1S/C25H20Cl2P.ClH/c26-21-17-16-20(25(27)18-21)19-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-18H,19H2;1H/q+1;/p-1"	C1=CC=C(C=C1)[P+](CC2=C(C=C(C=C2)Cl)Cl)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]	FWBSWSPGFNAXPP-UHFFFAOYSA-M
DG51069	"13,13-Dimethyl-7-oxatetracyclo[7.5.0.01,5.02,12]tetradecane-4,8-dione"	197204	"Quadrone; NSC284437; NSC-284437; 66550-08-1; CHEMBL2000102; SCHEMBL11327085; 6,7-cd]pyran-1,4-dione, octahydro-10,10-dimethyl-; 6,4-dione, octahydro-10,10-dimethyl-, (3a.alpha.,5a.beta.,6.alpha.,8a.alpha.,8b.alpha.)-; 6,7-cd]pyran-1,4-dione, octahydro-10,10-dimethyl-, (3a.alpha.,5a.beta.,6.alpha.,8a.alpha.,8b.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	284437	.	.	.	.	248.32	C15H20O3	43.4	453	2.2	18	0	3	0	"InChI=1S/C15H20O3/c1-14(2)7-15-9-4-3-8(14)10(15)5-12(16)11(15)6-18-13(9)17/h8-11H,3-7H2,1-2H3"	CC1(CC23C4CCC1C2CC(=O)C3COC4=O)C	BBIDMUQZCCGABN-UHFFFAOYSA-N
DG51070	Antibiotic SF 2446A1	197261	"NSC624488; 115834-23-6; Streptomyces antibiotic SF-2446-A-1; Antibiotic SF 2446A1; Antibiotic SF 2446A2; SF 2446A1; Sf2446a2; SF 2446A2; CHEMBL1997973; SCHEMBL16048148; DTXSID70921819; SF2446A1; ZTM000990; NSC-624488; 115936-68-0; Benzo(a)naphthacene-2-carboxylic acid, 11-((6-deoxy-2,4-di-O-methyl-alpha-L-mannopyranosyl)amino)-5,6,6a,7,9,12,14,14a-octahydro-1,6,8,14a-tetrahydroxy-6a-methoxy-3-methyl-7,9,12,14-tetraoxo-, methyl ester, (6-alpha,6a-beta,14a-beta)-; Benzo(a)naphthacene-2-carboxylic acid, 11-((6-deoxy-2,4-di-O-methyl-alpha-L-manopyranosyl)amino)-5,6,6a,7,9,12,14,14a-octahydro-1,6,8,14a-tetrahydroxy-6a-methoxy-3-methyl-7,9,12,14-tetraoxo-, methyl ester, (6alpha,6abeta,14abeta)-; Benzo(a)naphthacene-2-carboxylic acid, 11-((6-deoxy-2,4-di-O-methyl-beta-L-mannopyranosyl)amino)-5,6,6a,7,9,12,14,14a-octahydro-1,6,8,14a-tetrahydroxy-6a-methoxy-3-methyl-7,9,12,14-tetraoxo-, methyl ester, (6-alpha,6a-beta,14a-beta)-; NCI60_007424; 11-(2,4-di-O-methylrhamnopyranosyl)amino-5,6,6a,14a-tetrahydro-1,6,8,14a-tetrahydroxy-6a-methoxy-2-methoxycarbonyl-3-methylbenzo(a)naphthacene-7,9,12,14-tetraone; 6-deoxy-2,4-di-O-methyl-N-[1,6,8,14a-tetrahydroxy-6a-methoxy-2-(methoxycarbonyl)-3-methyl-7,9,12,14-tetraoxo-5,6,6a,7,9,12,14,14a-octahydrobenzo[a]tetracen-11-yl]hexopyranosylamine; methyl 1,6,8,14a-tetrahydroxy-11-[(4-hydroxy-3,5-dimethoxy-6-methyl-tetrahydropyran-2-yl)amino]-6a-methoxy-3-methyl-7,9,12,14-tetraoxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate; N-(1,6,8,14a-Tetrahydroxy-6a-methoxy-2-(methoxycarbonyl)-3-methyl-7,9,12,14-tetraoxo-5,6,6a,7,9,12,14,14a-octahydrobenzo[a]naphthacen-11-yl)-6-deoxy-2,4-di-O-methylhexopyranosylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624488	.	.	.	.	697.6	C34H35NO15	245	1470	1	50	6	16	7	"InChI=1S/C34H35NO15/c1-11-7-13-8-18(37)34(49-6)30(43)21-15(29(42)33(34,45)22(13)25(40)19(11)32(44)48-5)9-14-20(24(21)39)17(36)10-16(23(14)38)35-31-28(47-4)26(41)27(46-3)12(2)50-31/h7,9-10,12,18,26-28,31,35,37,39-41,45H,8H2,1-6H3"	CC1C(C(C(C(O1)NC2=CC(=O)C3=C(C4=C(C=C3C2=O)C(=O)C5(C6=C(CC(C5(C4=O)OC)O)C=C(C(=C6O)C(=O)OC)C)O)O)OC)O)OC	QAXIGMXDHAMYPV-UHFFFAOYSA-N
DG51071	Aplysinamisine III	197606	"Aplysinamisine III; 150417-69-9; Aplysinamisine-III; NSC666272; DTXSID60933941; 1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, N-(3-(4-(2-(acetylamino)-1-hydroxyethyl)-2,6-dibromophenoxy)propyl)-7,9-dibromo-10-hydroxy-8-methoxy-; N-(3-(4-(2-(Acetylamino)-1-hydroxyethyl)-2,6-dibromophenoxy)propyl)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide; N-[2-(3,5-Dibromo-4-{3-[(7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carbonyl)amino]propoxy}phenyl)-2-hydroxyethyl]ethanimidic acid; N-[3-[4-(2-acetamido-1-hydroxy-ethyl)-2,6-dibromo-phenoxy]propyl]-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide; N-[3-[4-(2-acetamido-1-hydroxyethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666272	.	.	.	.	775.1	C23H25Br4N3O7	139	951	2.1	37	4	8	10	"InChI=1S/C23H25Br4N3O7/c1-11(31)29-10-17(32)12-6-13(24)19(14(25)7-12)36-5-3-4-28-22(34)16-9-23(37-30-16)8-15(26)20(35-2)18(27)21(23)33/h6-8,17,21,32-33H,3-5,9-10H2,1-2H3,(H,28,34)(H,29,31)"	CC(=O)NCC(C1=CC(=C(C(=C1)Br)OCCCNC(=O)C2=NOC3(C2)C=C(C(=C(C3O)Br)OC)Br)Br)O	WGLJDQYUOYCSPY-UHFFFAOYSA-N
DG51072	(2-Methylbenzyl)triphenylphosphonium bromide	197738	"1530-36-5; (2-Methylbenzyl)triphenylphosphonium bromide; 2-METHYLBENZYL TRIPHENYLPHOSPHONIUM BROMIDE; (o-Methylbenzyl)triphenylphosphonium bromide; Phosphonium,[(2-methylphenyl)methyl]triphenyl-, bromide; (2-methylphenyl)methyl-triphenylphosphanium;bromide; EINECS 216-227-5; NSC 77140; Phosphonium, (o-methylbenzyl)triphenyl-, bromide; Phosphonium, [(2-methylphenyl)methyl]triphenyl-, bromide; SCHEMBL2451357; CHEMBL3229243; DTXSID90934648; WLN: 1R B1PR&R&R &E; NSC77140; NSC-77140; 1-(3-hydroxypropyl)-3-(p-tolyl)urea; DB-043173; FT-0605001; A809380; [(2-methylphenyl)methyl]triphenylphosphonium bromide; [(2-Methylphenyl)methyl](triphenyl)phosphanium bromide; Phosphonium, ((2-methylphenyl)methyl)triphenyl-, bromide (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	77140	.	.	.	.	447.3	C26H24BrP	0	380	.	28	0	1	5	"InChI=1S/C26H24P.BrH/c1-22-13-11-12-14-23(22)21-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26;/h2-20H,21H2,1H3;1H/q+1;/p-1"	CC1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]	XDCQNYYELACHOT-UHFFFAOYSA-M
DG51073	Allyltriphenylphosphonium bromide	197740	"Allyltriphenylphosphonium bromide; 1560-54-9; Phosphonium, triphenyl-2-propenyl-, bromide; Triphenyl allylphosphonium bromide; MFCD00011808; allyl triphenylphosphonium bromide; UNII-QT9PR2Z47K; QT9PR2Z47K; triphenyl(prop-2-enyl)phosphanium;bromide; Phosphonium, triphenyl-2-propen-1-yl-, bromide (1:1); WLN: 1U2PR&R&R &E; EINECS 216-332-6; NSC 59815; Phosphonium, allyltriphenyl-, bromide; NSC 110609; Allyltriphenylphosphonium bromide (TAL); 2-PROPENYLTRIPHENYLPHOSPHONIUM BROMIDE; triphenyl(prop-2-en-1-yl)phosphanium bromide; C21H20BrP; SCHEMBL161017; CHEMBL3229256; DTXSID90935337; allyl triphenyl phosphonium bromide; BAA56054; BCP22494; NSC59815; NSC-59815; NSC110609; ZB1719; AKOS015832986; AKOS025117491; CS-W011757; JC10067; NSC-110609; AC-15861; SY048571; DB-009569; FT-0622015; D70162; A809714; Phosphonium, triphenyl-2-propenyl-, bromide (9CI); W-108014; 2-PROPENYLTRIPHENYLPHOSPHONIUM BROMIDE;ALLYLTRIPHENYLPHOSPHONIUM BROMIDE;TAL"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	110609	.	.	.	.	383.3	C21H20BrP	0	284	.	23	0	1	5	"InChI=1S/C21H20P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1"	C=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]	FWYKRJUVEOBFGH-UHFFFAOYSA-M
DG51074	Proflavine hydrochloride	197873	"952-23-8; acridine-3,6-diamine hydrochloride; Proflavine hydrochloride; 3,6-Diaminoacridine hydrochloride; Proflavine monohydrochloride; Proflavin hydrochloride; Proflavine HCl; 3,6-ACRIDINEDIAMINE, MONOHYDROCHLORIDE; 3,6-DIAMINOACRIDINE HCL; 7459-75-8; Proflavine.HCl hemihydrate; acridine-3,6-diamine;hydrochloride; NSC605756; CHEBI:74718; 3,6-Diaminoacridine monohydrochloride; UNII-51AA3SI0JM; 3,6-Acridinediamine xhydrochloride; 3,6-diaminoacridinium chloride; 51AA3SI0JM; 1,7-Diaminoacridine hydrochloride; EINECS 231-239-0; Acridine, 3,6-diamino-, hydrochloride; proflavine.HCl; 3,6-diaminoacridine.HCl; DSSTox_CID_1191; DSSTox_RID_76001; DSSTox_GSID_21191; SCHEMBL664629; CHEMBL606782; DTXSID8021191; 3.6-Diaminoacridine hydrochloride; Tox21_200513; CCG-35221; MFCD00066867; AKOS015894696; MCULE-9156937078; NSC-605756; NCGC00258067-01; CAS-952-23-8; LS-14190; 3,6-Acridinediamine, hydrochloride (8CI); CS-0156837; FT-0699261; D84168; A859121; 3,6-Diaminoacridine hydrochloride, Dye content 95 %; Q27144855"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	605756	.	.	.	.	245.71	C13H12ClN3	64.9	232	.	17	3	3	0	"InChI=1S/C13H11N3.ClH/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h1-7H,14-15H2;1H"	C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.Cl	PBBGTVBGXBUVLT-UHFFFAOYSA-N
DG51075	Dehydroepiandrosterone mustard	198019	"Dehydroepiandrosterone mustard; NSC-121210; 24141-90-0; Testosterone mustard; (3beta)-3-(((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)oxy)androst-5-en-17-one; CHEMBL1995088; ZINC4825250; NSC121210; NSC 121210; Androst-5-en-17-one, 3-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-, (3beta)-; NCI60_000498; Androst-5-en-17-one, [p-[bis(2-chloroethyl)amino]phenyl]acetate; 3.beta.-Hydroxyandrost-5-en-17-one-p-[bis(2-chloroethyl)aminophenyl]acetate; Androst-5-en-17-one, 3beta-hydroxy-, (p-(bis(2-chloroethyl)amino)phenyl)acetate (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121210	.	.	.	.	546.6	C31H41Cl2NO3	46.6	878	6.7	37	0	4	9	"InChI=1S/C31H41Cl2NO3/c1-30-13-11-24(37-29(36)19-21-3-6-23(7-4-21)34(17-15-32)18-16-33)20-22(30)5-8-25-26-9-10-28(35)31(26,2)14-12-27(25)30/h3-7,24-27H,8-20H2,1-2H3/t24-,25-,26-,27-,30-,31-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C	XMEZZNCIZQQXCV-AXOMYGEFSA-N
DG51076	"4H-1,2,4-Benzothiadiazine, 3-chloro-4-ethyl-, 1,1-dioxide"	198691	"107089-77-0; 4H-1,2,4-Benzothiadiazine, 3-chloro-4-ethyl-, 1,1-dioxide; 3-Chloro-4-ethyl-4H-1,2,4-benzothiadiazin-1,1-dioxide; NSC373854; 3-Chloro-4-ethyl-4H-1,2,4-benzothiadiazine 1,1-dioxide; 3-chloro-4-ethyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide; 3-chloro-4-ethyl 4H-1,2,4-benzothiadiazine 1,1-dioxide; NSC 373854; BRN 4450756; SCHEMBL749953; CHEMBL1981100; DTXSID30147896; ZINC1589160; MFCD01762901; NSC-373854; NCI60_003488; 3-chloro-4-ethyl-1,2,4-benzothiadiazine-1,1-dioxide; 4H-1,4-Benzothiadiazine, 3-chloro-4-ethyl-, 1,1-dioxide; 3-chloro-4-ethyl-1$l^{6},2,4-benzothiadiazine 1,1-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373854	.	.	.	.	244.7	C9H9ClN2O2S	58.1	374	2	15	0	3	1	"InChI=1S/C9H9ClN2O2S/c1-2-12-7-5-3-4-6-8(7)15(13,14)11-9(12)10/h3-6H,2H2,1H3"	CCN1C2=CC=CC=C2S(=O)(=O)N=C1Cl	SIWVDIITQBPZGK-UHFFFAOYSA-N
DG51077	Amythiamicin A	198789	"Amythiamicin A; NSC677423; 152741-89-4; Amythiamycin A; CHEMBL1971330; NSC-677423; 9H,16H-8,5:15,12:22,19:32,29:36,33-Pentanitrilo-5H,29H,33H-pyrido(3,2-al) (1,11,18,25,31,4,7,14,21)pentathiatetraazacyclotetratriacontine-11-acetamide, 10,11,17,18,23,24,25,26,27,28-decahydro-2-(4-(4-((2-(aminocarbonyl)-1-pyrrolidinyl)carbonyl)-4,5-dihydro-2-oxalyl)-2-thiazolyl)-18,28-(bis(1-methylethyl)-N,14-dimethyl-; NCI60_027665; 1-[2-[2-[diisopropyl-methyl-[2-(methylamino)-2-oxo-ethyl]-tetraoxo-[ ]yl]thiazol-4-yl]-4,5-dihydrooxazole-4-carbonyl]pyrrolidine-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677423	.	.	.	.	1182.4	C50H51N15O8S6	490	2320	4.1	79	6	22	8	"InChI=1S/C50H51N15O8S6/c1-20(2)35-48-61-31(19-78-48)46-57-27(15-75-46)38-23(9-10-24(54-38)45-60-30(18-76-45)43-56-26(14-73-43)50(72)65-11-7-8-32(65)39(51)68)44-58-29(17-74-44)41(70)55-25(12-33(66)52-6)47-64-37(22(5)79-47)42(71)63-36(21(3)4)49-59-28(16-77-49)40(69)53-13-34(67)62-35/h9-10,15-21,25-26,32,35-36H,7-8,11-14H2,1-6H3,(H2,51,68)(H,52,66)(H,53,69)(H,55,70)(H,62,67)(H,63,71)"	CC1=C2C(=O)NC(C3=NC(=CS3)C(=O)NCC(=O)NC(C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)C8=NC(CO8)C(=O)N9CCCC9C(=O)N)C3=NC(=CS3)C(=O)NC(C(=N2)S1)CC(=O)NC)C(C)C)C(C)C	BAGBLRBLZUISAJ-UHFFFAOYSA-N
DG51078	"1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride"	198915	"1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride; 3489-15-4; 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride; 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride; C18H19ClN2O; 1-(p-Methoxyphenyl)tetrahydronorharman hydrochloride; 9H-Pyrido(3,4-6)indole, 1,2,3,4-tetrahydro-1-(p-methoxyphenyl)-, hydrochloride; CHEMBL1979317; 1096AE; MFCD01223325; NSC628013; 1-(4-methoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole hydrochloride; AKOS015849690; MCULE-2467786608; NSC-628013; CS-0302958; Z48968236"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628013	.	.	.	.	314.8	C18H19ClN2O	37	353	.	22	3	2	2	"InChI=1S/C18H18N2O.ClH/c1-21-13-8-6-12(7-9-13)17-18-15(10-11-19-17)14-4-2-3-5-16(14)20-18;/h2-9,17,19-20H,10-11H2,1H3;1H"	COC1=CC=C(C=C1)C2C3=C(CCN2)C4=CC=CC=C4N3.Cl	QMJGOWGNDWTVIH-UHFFFAOYSA-N
DG51079	"4,4'-(Dithiodimethylene)dipyridine"	199500	"1020-71-9; 4,4'-(Dithiodimethylene)dipyridine; NSC92988; 4-(((4-Pyridinylmethyl)dithio)methyl)pyridine; Pyridine, 4,4'-[dithiobis(methylene)]bis-; 4-[(pyridin-4-ylmethyldisulfanyl)methyl]pyridine; UNII-5JVO6RU58B; 5JVO6RU58B; NSC-92988; 4,4/'-(DITHIODIMETHYLENE)DIPYRIDINE; 1,2-Bis(4-pyridylmethyl)disulfane; NSC 92988; NCIStruc1_000841; NCIStruc2_000390; Bis-(4-pyridylmethyl)disulfide; Bis(4-pyridylmethyl) persulfide; CHEMBL1327466; Bis(4-pyridinylmethyl) disulfide; DTXSID30144522; NCI92988; CCG-38213; MFCD00966964; NCGC00013972; ZINC15865840; 1,2-Bis(pyridin-4-ylmethyl)disulfane; NCGC00013972-02; NCGC00097081-01; 4,4-(DITHIODIMETHYLENE)DIPYRIDINE; NCI60_042068; SY264611; 1,2-bis([pyridine-4-yl]methyl)disulphane; DB-026154; FT-0623051; 4-[(4-pyridylmethyldisulfanyl)methyl]pyridine; 4-{[(4-pyridinylmethyl)disulfanyl]methyl}pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92988	.	.	.	.	248.4	C12H12N2S2	76.4	158	1.8	16	0	4	5	"InChI=1S/C12H12N2S2/c1-5-13-6-2-11(1)9-15-16-10-12-3-7-14-8-4-12/h1-8H,9-10H2"	C1=CN=CC=C1CSSCC2=CC=NC=C2	DAVWLGVBAUGEOK-UHFFFAOYSA-N
DG51080	"(2)Benzopyrano(3',4':4,5)pyrrolo(2,3-f)quinolin-8-one, 8,13-dihydro-"	199848	"5100-91-4; (2)Benzopyrano(3',4':4,5)pyrrolo(2,3-f)quinolin-8-one, 8,13-dihydro-; Isochromeno[3',4':4,5]pyrrolo[2,3-f]isoquinolin-8(13H)-one; BRN 0548875; 8-Oxo-8H-isochromeno(4',3':4,5)pyrrolo(2,3-f)quinoline; [2]Benzopyrano[3',4':4,5]pyrrolo[2,3-f]isoquinolin-8(13H)-one; DTXSID00199009; NSC742939; NSC-742939"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742939	.	.	.	.	286.3	C18H10N2O2	55	468	3.4	22	1	3	0	"InChI=1S/C18H10N2O2/c21-18-13-4-2-1-3-12(13)16-17(22-18)14-6-5-10-9-19-8-7-11(10)15(14)20-16/h1-9,20H"	C1=CC=C2C(=C1)C3=C(C4=C(N3)C5=C(C=C4)C=NC=C5)OC2=O	VDZSVNWJENESME-UHFFFAOYSA-N
DG51081	"Benzo(f)quinazoline, 3-guanidino-1-methyl-, hydrochloride"	200222	"1150-41-0; Benzo(f)quinazoline, 3-guanidino-1-methyl-, hydrochloride; 3-Guanidino-1-methylbenzo(f)quinazoline hydrochloride; 1-(1-Methylbenzo[f]quinazolin-3-yl)guanidine hydrochloride; NSC 96641; 3-Guanidino-1-methylbenzo[f]quinazoline hydrochloride; AI3-60149; DTXSID90150927; Benzo[f]quinazoline, hydrochloride; NSC96641; NSC-96641; WLN: T B666 DN FNJ C1 EMYM&Z &GH; Guanidine, (1-methylbenzo(f)quinazolin-3-yl)-, monohydrochloride (8CI)(9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	96641	.	.	.	.	287.75	C14H14ClN5	90.2	352	.	20	3	3	1	"InChI=1S/C14H13N5.ClH/c1-8-12-10-5-3-2-4-9(10)6-7-11(12)18-14(17-8)19-13(15)16;/h2-7H,1H3,(H4,15,16,17,18,19);1H"	CC1=C2C(=NC(=N1)N=C(N)N)C=CC3=CC=CC=C32.Cl	OSIPRQQLLSQBDZ-UHFFFAOYSA-N
DG51082	"1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl-"	200566	"NSC665713; 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl-; 2262-67-1; BRN 0631680; 8-(3-((4-Fluorophenyl)thio)propyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; 8-[3-[(4-Fluorophenyl)thio]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; 4-Oxo-8-(3-(4-fluorophenylthio)propyl)-1-phenyl-1,3,8-triazaspiro(4.5)decane; CHEMBL2000997; DTXSID90177139; ZINC1640702; NSC-665713; 8-[3-(4-fluorophenyl)sulfanylpropyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one; NCI60_022699"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665713	.	.	.	.	399.5	C22H26FN3OS	60.9	512	3.9	28	1	5	6	"InChI=1S/C22H26FN3OS/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)"	C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCSC4=CC=C(C=C4)F	FRWHAGPZSVSWSM-UHFFFAOYSA-N
DG51083	"3,4-Dichloro-alpha-methylbenzeneethanamine hydrochloride"	201553	"156-12-7; 2643-14-3; dl-m,p-Dicloro-alpha-metilfenetilamina HCl [Italian]; 3,4-Dichloro-alpha-methylbenzeneethanamine hydrochloride; dl-3,4-Dichloro-alpha-methylphenethylamine hydrochloride; Phenethylamine, 3,4-dichloro-alpha-methyl-, hydrochloride, dl-; dl-m,p-Dicloro-alpha-metilfenetilamina HCl; CHEMBL1987806; DTXSID30949317; Benzeneethanamine, 3,4-dichloro-alpha-methyl-, hydrochloride; NSC93734; NSC-93734; 6229-86-3; DS-006872; 3,4-DICHLOROPHENYL-2-AMINOPROPANE HYDROCHLORIDE; 1-(3,4-Dichlorophenyl)propan-2-amine--hydrogen chloride (1/1); Benzeneethanamine,3,4-dichloro-a-methyl-, hydrochloride, (+)-(9ci)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93734	.	.	.	.	240.6	C9H12Cl3N	26	141	.	13	2	1	2	"InChI=1S/C9H11Cl2N.ClH/c1-6(12)4-7-2-3-8(10)9(11)5-7;/h2-3,5-6H,4,12H2,1H3;1H"	CC(CC1=CC(=C(C=C1)Cl)Cl)N.Cl	OFHUVEDFQIRAKY-UHFFFAOYSA-N
DG51084	Alyssin	206035	"ALYSSIN; 646-23-1; Alyssin, (S)-; 1-Isothiocyanato-5-(methylsulfinyl)pentane; Alyssin, (R)-; 1-isothiocyanato-5-methylsulfinylpentane; CHEMBL4520951; Pentane, 1-isothiocyanato-5-(methylsulfinyl)-; 5-methylsulfinylpentyl isothiocyanate; 167963-04-4; 167963-06-6; Pentane, 1-isothiocyanato-5-(methylsulfinyl)-, (R)-; Pentane, 1-isothiocyanato-5-(methylsulfinyl)-, (S)-; R,S-alyssin; SCHEMBL1607149; DTXSID50983213; CHEBI:138755; 5-Methylsulfinylpentylisothiocyanate; BDBM50508431; NSC782920; 1-Isothiocyanato-6-thiaheptane6-oxide; AKOS006271623; NSC-782920; 5-(Methylsulfinyl)-pentyl isothiocyanate; 1-Isothiocyanato-5-(methanesulfinyl)pentane; DB-054699; FT-0632743; (R)-1-Isothiocyanato-5-(methylsulfinyl)pentane; (S)-1-Isothiocyanato-5-(methylsulfinyl)pentane; Isothiocyanic acid, 5-(methylsulfinyl)pentyl ester; Q27236447; REF.: SCIFINDER (Spectrum in accordance with the one in Scifinder)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782920	.	.	.	.	191.3	C7H13NOS2	80.7	164	1.8	11	0	4	6	"InChI=1S/C7H13NOS2/c1-11(9)6-4-2-3-5-8-7-10/h2-6H2,1H3"	CS(=O)CCCCCN=C=S	IUUQPVQTAUKPPB-UHFFFAOYSA-N
DG51085	Ethylmethyloctadecylsulfonium iodide	207332	"29676-50-4; Ethylmethyloctadecylsulfonium iodide; NSC 97372; Sulfonium, ethylmethyloctadecyl-, iodide; Sulfonium, (ethylmethyl)octadecyl-, iodide; SCHEMBL2682350; NSC97372; NSC-97372; (Ethylmethyl)octadecylsulfonium iodide; WLN: 18S2&1 &I &3/9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	97372	.	.	.	.	456.6	C21H45IS	1	190	.	23	0	1	18	"InChI=1S/C21H45S.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(3)5-2;/h4-21H2,1-3H3;1H/q+1;/p-1"	CCCCCCCCCCCCCCCCCC[S+](C)CC.[I-]	FWCAEZMYKRVMPH-UHFFFAOYSA-M
DG51086	"2-Methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol"	209395	"19819-15-9; 2-Methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol; NSC153330; 2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one; MLS000766177; 2-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one; (1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-methyl-; NSC-153330; 2-Methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one; 5-Methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one; 5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one; CBMicro_004985; 5,6,7,8-Tetrahydro-2-methyl-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one; Cambridge id 5118319; NCIStruc1_000658; NCIStruc2_000894; Oprea1_574831; Oprea1_703840; SCHEMBL1368527; CHEMBL1569893; DTXSID10173537; HMS2746D22; ALBB-020386; SMSF0003489; 2-Methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ol; CCG-37597; MFCD00454938; NCGC00014414; NCI153330; STL352461; STL357284; STL512015; ZINC18117772; AKOS000281420; AKOS000541775; AKOS022225616; CB06987; MCULE-5415706143; NSC 153330; NCGC00014414-02; NCGC00097519-01; NCI60_001082; SMR000008671; BIM-0004976.P001; AG-690/11629631; SR-01000467591; SR-01000467591-1; Z55164926; F0239-0687; Pyrimido[4,5-b]benzothien-4-ol, 5,6,7,8-tetrahydro-2-methyl-; [1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-2-methyl-; 2-Methyl-4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine; 2-Methyl-5,6,7,8-tetrahydro[1]benzothieno-[2,3-d]pyrimidin-4(3H)-one; 2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one; 2-Methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol #; 2-Methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-ol; 5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0 , ]trideca-1(9),2(7),5-trien-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	153330	.	.	.	.	220.29	C11H12N2OS	69.7	329	1.9	15	1	3	0	"InChI=1S/C11H12N2OS/c1-6-12-10(14)9-7-4-2-3-5-8(7)15-11(9)13-6/h2-5H2,1H3,(H,12,13,14)"	CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1	ULEHMWWQIZHLHN-UHFFFAOYSA-N
DG51087	(7-(Dimethylamino)-3H-phenoxazin-3-ylidene)dimethylammonium chloride	209687	"20161-55-1; Phenoxazin-5-ium, 3,7-bis(dimethylamino)-, chloride; (7-(Dimethylamino)-3H-phenoxazin-3-ylidene)dimethylammonium chloride; Ammonium, (7-(dimethylamino)-3H-phenoxazin-3-ylidene)dimethyl-, chloride; DTXSID40942218; NSC409417; NSC 409417; NSC-409417; 3,7-Bis(dimethylamino)phenoxazin-5-ium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	409417	.	.	.	.	303.78	C16H18ClN3O	27.8	483	.	21	0	4	1	"InChI=1S/C16H18N3O.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1"	CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3O2.[Cl-]	SIZBKKAUPNRYKZ-UHFFFAOYSA-M
DG51088	"Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt"	209827	"ET 12H; 20545-96-4; Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt; NSC 337591; BRN 5607566; rac-1-Dodecyl-2-hydride-decyl-2-methoxy-glycerophosphocholine; ES 12H; CHEMBL1996509; SCHEMBL10934463; DTXSID30174546; NSC337591; NSC-337591; D-8858; Choline,3-(dodecyloxy)propyl hydrogen phoshate, inner salt; 1-Propanol, dihydrogen phosphate,monoester with choline hydroxide, inner salt; 3,9-Trioxa-4-phosphaheneicosan-1-aminium,4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	337591	.	.	.	.	409.5	C20H44NO5P	67.8	366	4.7	27	0	5	20	"InChI=1S/C20H44NO5P/c1-5-6-7-8-9-10-11-12-13-14-17-24-18-15-19-25-27(22,23)26-20-16-21(2,3)4/h5-20H2,1-4H3"	CCCCCCCCCCCCOCCCOP(=O)([O-])OCC[N+](C)(C)C	PMGDJIDELZDRLM-UHFFFAOYSA-N
DG51089	"4-(Chloromethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine"	210892	"21868-41-7; 4-(chloromethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine; 4-(chloromethyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine; 4-(Chloromethyl)-6-morpholino-1,3,5-triazin-2-amine; s-Triazine, 2-amino-4-(chloromethyl)-6-morpholino-; 2-Amino-4-chloromethyl-6-morpholino-1,3,5-triazine; 2-amino-4-morpholino-6-chloromethyl-1,3,5-triazine; AF52; BRN 1217790; C8H12ClN5O; 2-Amino-4-(chloromethyl)-6-morpholino-s-triazine; CHEMBL1972887; ZINC80658; DTXSID70176266; ALBB-010207; 7436AD; MFCD01679202; NSC686790; STK508801; AKOS002671313; MCULE-1246093459; NSC-686790; LS-03461; NCI60_031296; EU-0052217; FT-0684338; A925070; AG-205/12417094; 1,3,5-Triazin-2-amine, 4-(chloromethyl)-6-(4-morpholinyl)-; 4-(Chloromethyl)-6-(4-morpholinyl)-1,3,5-triazin-2-amine; 4-(Chloromethyl)-6-(4-morpholinyl)-1,3,5-triazin-2-amine #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686790	.	.	.	.	229.67	C8H12ClN5O	77.2	202	0.1	15	1	6	2	"InChI=1S/C8H12ClN5O/c9-5-6-11-7(10)13-8(12-6)14-1-3-15-4-2-14/h1-5H2,(H2,10,11,12,13)"	C1COCCN1C2=NC(=NC(=N2)N)CCl	MFAGDEITRDZSFJ-UHFFFAOYSA-N
DG51090	"Phenanthren-10-one, 9,10-dihydro-9-hydroxy-9-(2-aminoethylthio)-, hydrochloride"	212513	"24394-55-6; NSC 139049; 9-Hydroxy-9-(2-aminoethylthio)-9,10-dihydrophenanthren-10-one hydrochloride; Phenanthren-10-one, 9,10-dihydro-9-hydroxy-9-(2-aminoethylthio)-, hydrochloride; SCHEMBL2599487; CHEMBL1966669; 9(10H)-Phenanthrone, hydrochloride; NSC139049; NSC-139049; 9(10H)-Phenanthrone, 10-((2-aminoethyl)thio)-10-hydroxy-, hydrochloride (8CI); Phenanthren-10-one,10-dihydro-9-hydroxy-9-(2-aminoethylthio)-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	139049	.	.	.	.	321.8	C16H16ClNO2S	88.6	376	.	21	3	4	3	"InChI=1S/C16H15NO2S.ClH/c17-9-10-20-16(19)14-8-4-3-6-12(14)11-5-1-2-7-13(11)15(16)18;/h1-8,19H,9-10,17H2;1H"	C1=CC=C2C(=C1)C3=CC=CC=C3C(C2=O)(O)SCCN.Cl	XSJHLDOFYLYXDB-UHFFFAOYSA-N
DG51091	"Phenethylamine, N-isopropyl-alpha-methyl-, hydrochloride"	213535	"26640-60-8; Isopropylamphetamine hydrochloride; Isopropylamphetamine HCl; NSC 39688; N-Isopropyl-alpha-methylphenethylamine hydrochloride; N-Isopropyl-beta-phenylisopropylaminhydrochlorid [German]; Phenethylamine, N-isopropyl-alpha-methyl-, hydrochloride; N-Isopropyl-beta-phenylisopropylaminhydrochlorid; SCHEMBL7037524; CHEMBL2003712; NSC39688; NSC-39688; Benzeneethanamine, alpha-methyl-N-(1-methylethyl)-, hydrochloride (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39688	.	.	.	.	213.75	C12H20ClN	12	125	.	14	2	1	4	"InChI=1S/C12H19N.ClH/c1-10(2)13-11(3)9-12-7-5-4-6-8-12;/h4-8,10-11,13H,9H2,1-3H3;1H"	CC(C)NC(C)CC1=CC=CC=C1.Cl	JTEZUILSFLCPDP-UHFFFAOYSA-N
DG51092	Mitomycin C methylamine	213803	"NSC329086; Mitomycin C methylamine; 27066-44-0; CHEMBL1997532; DTXSID70936302; NSC-329086; NCI60_002865; MITOMYCIN C,METHYLAMINE FR. STREPTOMYCES CAESPITOSUS; [8a-Methoxy-5-methyl-6-(methylamino)-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate; 16046-18-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329086	.	.	.	.	348.35	C16H20N4O5	133	773	-0.3	25	3	8	5	"InChI=1S/C16H20N4O5/c1-6-10(18-2)13(22)9-7(5-25-15(17)23)16(24-3)14-8(19-14)4-20(16)11(9)12(6)21/h7-8,14,18-19H,4-5H2,1-3H3,(H2,17,23)"	CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)NC	QMWMHVONMWSXDM-UHFFFAOYSA-N
DG51093	"6-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexen-1-ol"	215054	"NSC659269; 34844-41-2; BRN 2291020; 3,5,5-Trimethyl-6-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)-2-cyclohexen-1-ol; 2-Cyclohexen-1-ol, 6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-; 6-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexen-1-ol; 6-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethyl)ethyl-3,5,5-trimethyl-2-cyclohexen-1-ol; CHEMBL1981172; DTXSID10956322; NSC-659269; 6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohex-2-en-1-ol; NCI60_020930; 3,5,5-trimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]cyclohex-2-en-1-ol; 6-[2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-3,5,5-trimethyl-2-cyclohexen-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659269	.	.	.	.	306.24	C12H16F6O2	40.5	393	3.6	20	2	8	1	"InChI=1S/C12H16F6O2/c1-6-4-7(19)8(9(2,3)5-6)10(20,11(13,14)15)12(16,17)18/h4,7-8,19-20H,5H2,1-3H3"	CC1=CC(C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O)O	MXANCGMHRZANOV-UHFFFAOYSA-N
DG51094	"1,1-Bis(chlorodifluoromethyl)-3-phenyl-1,3-propanediol"	215057	"NSC659268; 1,1-Bis(chlorodifluoromethyl)-3-phenyl-1,3-propanediol; 34848-21-0; BRN 1990536; 4-Chloro-3-(chloro(difluoro)methyl)-4,4-difluoro-1-phenyl-1,3-butanediol; 1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl-; 1-Chloro-1,1-difluoro-2-(chlorodifluoromethyl)-4-phenyl-2,4-butanediol; CHEMBL1991101; DTXSID40956330; 4-Chloro-3-chlorodifluoromethyl-4,4-difluoro-1-phenyl-1,3-butanediol; 4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-1-phenylbutane-1,3-diol; NSC-659268; NCI60_020929; 4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-1-phenyl-butane-1,3-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659268	.	.	.	.	321.09	C11H10Cl2F4O2	40.5	295	3.3	19	2	6	5	"InChI=1S/C11H10Cl2F4O2/c12-10(14,15)9(19,11(13,16)17)6-8(18)7-4-2-1-3-5-7/h1-5,8,18-19H,6H2"	C1=CC=C(C=C1)C(CC(C(F)(F)Cl)(C(F)(F)Cl)O)O	ZGRPQOKXVFKJQN-UHFFFAOYSA-N
DG51095	Taspine	215159	"Taspine; 602-07-3; Thaspine; UNII-V53XN9L07O; CHEMBL470867; V53XN9L07O; 1-(2-(Dimethylamino)ethyl)-3,8-dimethoxychromeno[5,4,3-cde]chromene-5,10-dione; 5-[2-(dimethylamino)ethyl]-7,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione; NSC76022; NSC-76022; NSC618155; SCHEMBL22452213; DTXSID60975624; ZINC1702514; BDBM50241808; NSC688259; NSC-688259; 1-(2-(Dimethylamino)ethyl)-3,8-dimethoxychromeno(5,4,3-cde)chromene-5,10-dione hydrochloride; 2-dimethylaminoethyl(dimethoxy)[ ]dione; NCI60_031857; NCI60_041671; FT-0674816; Q5486808; {1-(2-dimethylaminoethyl)-3,8-dimethoxychromeno[5,4,3-cde]chromene-5,10-dione}; (1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 1-(2-(dimethylamino)ethyl)-3,8-dimethoxy-; 1-[2-(Dimethylamino)ethyl]-3,8-dimethoxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688259	.	.	.	.	369.4	C20H19NO6	74.3	595	2.8	27	0	7	5	"InChI=1S/C20H19NO6/c1-21(2)8-7-10-9-13(25-4)18-16-14(10)20(23)27-17-12(24-3)6-5-11(15(16)17)19(22)26-18/h5-6,9H,7-8H2,1-4H3"	CN(C)CCC1=CC(=C2C3=C1C(=O)OC4=C(C=CC(=C34)C(=O)O2)OC)OC	MTAWKURMWOXCEO-UHFFFAOYSA-N
DG51096	2-(alpha-Ethyl-2-thenylamino)-2-oxazoline	215268	"NSC664304; 35349-02-1; n-[1-(thiophen-2-yl)propyl]-4,5-dihydro-1,3-oxazol-2-amine; 2-(alpha-Ethyl-2-thenylamino)-2-oxazoline; 2-Thenylamine, alpha-ethyl-N-(2-oxazolin-2-yl)-; 2-Oxazolamine, 4,5-dihydro-N-[1-(2-thienyl)propyl]-; CHEMBL1967494; Propylamine, N-(2-oxazolin-2-yl)-alpha-(2-thienyl)-; DTXSID60956776; NSC-664304; NCI60_022178; N-(alpha-Ethyl-2-thenyl)-2-oxazolin-2-amine; N-[1-(2-thienyl)propyl]-4,5-dihydrooxazol-2-amine; N-(1-(2-Thienyl)propyl)-4,5-dihydro-1,3-oxazol-2-amine; N-(4,5-Dihydro-1,3-oxazol-2-yl)-N-(1-(2-thienyl)propyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664304	.	.	.	.	210.3	C10H14N2OS	61.9	220	1.8	14	1	3	4	"InChI=1S/C10H14N2OS/c1-2-8(9-4-3-7-14-9)12-10-11-5-6-13-10/h3-4,7-8H,2,5-6H2,1H3,(H,11,12)"	CCC(C1=CC=CS1)NC2=NCCO2	ANMFSKZAOMFWOH-UHFFFAOYSA-N
DG51097	"p-Phenylenediamine, N,N-bis(2-chloroethyl)-, hydrochloride"	215727	"p-Phenylenediamine, N,N-bis(2-chloroethyl)-, hydrochloride; 36134-83-5; p-Phenylenediamine, N-bis(2-chloroethyl)-, hydrochloride; 1,4-Benzenediamine, N,N-bis(2-chloroethyl)-, hydrochloride; CHEMBL543027; SCHEMBL3838748; DTXSID30189711; NSC44303; NSC-44303; 945-68-6; N,N-bis(2-chloroethyl)-p-phenylenediamine hydrochloride; p-Phenylenediamine,N-bis(2-chloroethyl)-, hydrochloride; 4-N,4-N-bis(2-chloroethyl)benzene-1,4-diamine;hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	44303	.	.	.	.	269.6	C10H15Cl3N2	29.3	141	.	15	2	2	5	"InChI=1S/C10H14Cl2N2.ClH/c11-5-7-14(8-6-12)10-3-1-9(13)2-4-10;/h1-4H,5-8,13H2;1H"	C1=CC(=CC=C1N)N(CCCl)CCCl.Cl	SNFZPEZEZZWYMP-UHFFFAOYSA-N
DG51098	"N'-(2-chloroethyl)-N'-ethyl-N-(2-methoxyacridin-9-yl)ethane-1,2-diamine"	217470	"NSC628114; 9-N(N'-chloroethyl-N'-ethyl-1,2-diaminoethyl) 2-methoxyacridine dihydrochloride; Neuro_000264; CHEMBL1188172; N'-(2-chloroethyl)-N'-ethyl-N-(2-methoxyacridin-9-yl)ethane-1,2-diamine; NCI60_009026; N-(2-Chloroethyl)-N-ethyl-N'-(2-methoxy-9-acridinyl)-1,2-ethanediamine; N~1~-(2-Chloroethyl)-N~1~-ethyl-N~2~-(2-methoxy-9-acridinyl)-1,2-ethanediamine hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628114	.	.	.	.	357.9	C20H24ClN3O	37.4	397	4.5	25	1	4	8	"InChI=1S/C20H24ClN3O/c1-3-24(12-10-21)13-11-22-20-16-6-4-5-7-18(16)23-19-9-8-15(25-2)14-17(19)20/h4-9,14H,3,10-13H2,1-2H3,(H,22,23)"	CCN(CCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl	VKACZVZTIKPEBG-UHFFFAOYSA-N
DG51099	4-Amino-3-pentadecylphenol	219123	4-AMINO-3-PENTADECYLPHENOL; 3158-55-2; NSC17; 3-Pentadecyl-4-aminophenol; NSC-17; SCHEMBL10067858; DTXSID60276926; ZINC60296350	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17	.	.	.	.	319.5	C21H37NO	46.2	256	8.7	23	2	2	14	"InChI=1S/C21H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-18-20(23)16-17-21(19)22/h16-18,23H,2-15,22H2,1H3"	CCCCCCCCCCCCCCCC1=C(C=CC(=C1)O)N	JEAQATRYHARRAU-UHFFFAOYSA-N
DG51100	"Propiophenone, 3-phenyl-3-piperidino-"	219163	"PROPIOPHENONE, 3-PHENYL-3-PIPERIDINO-; 5350-97-0; 1,3-diphenyl-3-piperidin-1-ylpropan-1-one; 1,3-diphenyl-3-(piperidin-1-yl)propan-1-one; NSC35446; NSC87; NSC-35446; NSC-87; CHEMBL1982140; SCHEMBL15684679; DTXSID30276953; STK553385; 1-piperidino-1-phenyl-2-benzoylethane; AKOS005481652; beta-Phenyl-beta-piperidinopropiophenone; MCULE-3432374599; 3-PIPERIDINO-3-PHENYLPROPIOPHENONE; NCI60_003184; DS-012331; 1,3-Diphenyl-3-(1-piperidinyl)-1-propanone; 1,3-Diphenyl-3-(1-piperidinyl)-1-propanone #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35446	.	.	.	.	293.4	C20H23NO	20.3	336	4	22	0	2	5	"InChI=1S/C20H23NO/c22-20(18-12-6-2-7-13-18)16-19(17-10-4-1-5-11-17)21-14-8-3-9-15-21/h1-2,4-7,10-13,19H,3,8-9,14-16H2"	C1CCN(CC1)C(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3	CVVZGKZBSZURJO-UHFFFAOYSA-N
DG51101	"2-Bromo-4-methyl-1,3,5-trinitrobenzene"	219376	"2-bromo-4-methyl-1,3,5-trinitrobenzene; MLS002637525; 5333-09-5; NSC596; CHEMBL1712947; DTXSID70277060; NSC-596; HMS3094P15; 3-BROMO-2,6-TRINITROTOLUENE; STL371281; ZINC66114644; AKOS016344914; MCULE-7941677732; 3-BROMO-2,4,6-TRINITROTOLUENE; SMR001547061"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	596	.	.	.	.	306.03	C7H4BrN3O6	138	347	2.5	17	0	6	0	"InChI=1S/C7H4BrN3O6/c1-3-4(9(12)13)2-5(10(14)15)6(8)7(3)11(16)17/h2H,1H3"	CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br)[N+](=O)[O-]	IKHFDQSVNNIGEN-UHFFFAOYSA-N
DG51102	Bis[3-amino-4-(dimethylamino)phenyl]methanone	219490	"bis[3-amino-4-(dimethylamino)phenyl]methanone; 5340-23-8; bis(3-amino-4-dimethylamino-phenyl)methanone; MLS000079753; SMR000038195; NSC885; Oprea1_168693; SCHEMBL864926; cid_219490; CHEMBL1417628; BDBM58950; DTXSID30277107; NSC-885; HMS2280H04; ZINC235389; NSC753542; STK529024; AKOS003606975; MCULE-3333329554; NSC-753542; 3,4'-BIS(DIMETHYLAMINO)BENZOPHENONE; bis-(3-amino-4-dimethylamino-phenyl)-methanone; bis[3-azanyl-4-(dimethylamino)phenyl]methanone; 3,3'-Diamino-4,4'-bis-dimethylamino-benzophenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	885	.	.	.	.	298.4	C17H22N4O	75.6	351	2.1	22	2	5	4	"InChI=1S/C17H22N4O/c1-20(2)15-7-5-11(9-13(15)18)17(22)12-6-8-16(21(3)4)14(19)10-12/h5-10H,18-19H2,1-4H3"	CN(C)C1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)N(C)C)N)N	OSABJXFEGLRNTG-UHFFFAOYSA-N
DG51103	8-Hydroxy-7-[a-(4-nitroanilino)benzyl]quinoline	219563	MLS002637543; NSC-1010; 5335-96-6; CHEMBL1688556; 7-[.ALPHA.-(P-NITROANILINO)BENZYL]-8-QUINOLINOL; 7-(((4-Nitrophenyl)amino)(phenyl)methyl)quinolin-8-ol; 7-{[(4-nitrophenyl)amino](phenyl)methyl}quinolin-8-ol; NSC1010; 8-Hydroxy-7-[a-(4-nitroanilino)benzyl]quinoline; CBChromo1_000199; Oprea1_346320; CBDivE_008933; SCHEMBL1702435; DTXSID50277169; HMS3078I11; 7-((4-NITRO-PHENYLAMINO)-PHENYL-METHYL)-QUINOLIN-8-OL; BDBM50561142; STK857986; AKOS002528613; MCULE-7733291846; SMR001547078; 7-((4-nitro-anilino)(phenyl)methyl)-8-quinolinol; 7-[(4-Nitroanilino)(phenyl)methyl]-8-quinolinol #	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1010	.	.	.	.	371.4	C22H17N3O3	91	512	4.8	28	2	5	4	"InChI=1S/C22H17N3O3/c26-22-19(13-8-16-7-4-14-23-21(16)22)20(15-5-2-1-3-6-15)24-17-9-11-18(12-10-17)25(27)28/h1-14,20,24,26H"	C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=C(C=C4)[N+](=O)[O-]	NIPBFFNWSFCRBD-UHFFFAOYSA-N
DG51104	4-[[(8-Hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoic acid	219564	5335-97-7; NSC1011; 4-[[(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoic acid; 4-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoic acid; CHEMBL1979298; compound 3 [PMID: 17942791]; 4-(((8-Hydroxyquinolin-7-yl)(phenyl)methyl)amino)benzoic acid; NSC-1011; GTPL8556; SCHEMBL23359134; DTXSID60277170; 4-[[(8-hydroxyquinolin-7-yl)-phenyl-methyl]amino]benzoic acid; BDBM50500101; SB72128; NCI60_000032; DB-122808; J3.527.038H; A935198; Q27076628; 4-(((8-hydroxy-7-quinolinyl)(phenyl)methyl)amino)benzoic acid; 4-[[alpha-(8-Hydroxy-7-quinolinyl)benzyl]amino]benzoic acid; P-[[.ALPHA.-(8-HYDROXY-7-QUINOLYL)BENZYL]AMINO]BENZOIC ACID	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1011	.	.	.	.	370.4	C23H18N2O3	82.4	514	4.5	28	3	5	5	"InChI=1S/C23H18N2O3/c26-22-19(13-10-16-7-4-14-24-21(16)22)20(15-5-2-1-3-6-15)25-18-11-8-17(9-12-18)23(27)28/h1-14,20,25-26H,(H,27,28)"	C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=C(C=C4)C(=O)O	PSCFZETTYRDCRM-UHFFFAOYSA-N
DG51105	7-(alpha-Anilino-P-nitrobenzyl)-8-quinolinol	219565	NSC1013; CHEMBL2006267; NSC-1013; BDBM50500093; NCI60_000036; 7-(.ALPHA.-ANILINO-P-NITROBENZYL)-8-QUINOLINOL; 7-(anilino(4-(hydroxy(oxido)amino)phenyl)methyl)-8-quinolinol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1013	.	.	.	.	371.4	C22H17N3O3	91	512	4.8	28	2	5	4	"InChI=1S/C22H17N3O3/c26-22-19(13-10-15-5-4-14-23-21(15)22)20(24-17-6-2-1-3-7-17)16-8-11-18(12-9-16)25(27)28/h1-14,20,24,26H"	C1=CC=C(C=C1)NC(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C4=C(C=CC=N4)C=C3)O	IEHZRRMDWJJZBT-UHFFFAOYSA-N
DG51106	7-[alpha-[(4-Methyl-2-pyridyl)amino]benzyl]-8-quinolinol	219566	NSC1014; MLS002637544; 5335-98-8; CHEMBL1700391; 7-[.ALPHA.-[(4-METHYL-2-PYRIDYL)AMINO]BENZYL]-8-QUINOLINOL; DTXSID20277171; HMS3078G09; NSC-1014; BDBM50561132; AKOS002331705; MCULE-9011894539; SMR001547079; 7-(((4-Methylpyridin-2-yl)amino)(phenyl)methyl)quinolin-8-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1014	.	.	.	.	341.4	C22H19N3O	58	439	4.6	26	2	4	4	"InChI=1S/C22H19N3O/c1-15-11-13-23-19(14-15)25-20(16-6-3-2-4-7-16)18-10-9-17-8-5-12-24-21(17)22(18)26/h2-14,20,26H,1H3,(H,23,25)"	CC1=CC(=NC=C1)NC(C2=CC=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O	PKUYZMYEHWGCMG-UHFFFAOYSA-N
DG51107	"1,1,3-Tribromo-3-methyl-2-butanone"	219573	"1,1,3-Tribromo-3-methyl-2-butanone; NSC1027; 1578-05-8; NSC 1027; NCIMech_000680; CHEMBL1970620; DTXSID40166316; NSC-1027; ZINC1587780; 1,3-Tribromo-3-methyl-2-butanone; CCG-35803; 2-Butanone,1,3-tribromo-3-methyl-; 1,1,3-tribromo-3-methyl-butan-2-one; NCI60_000073"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1027	.	.	.	.	322.82	C5H7Br3O	17.1	119	3	9	0	1	2	"InChI=1S/C5H7Br3O/c1-5(2,8)3(9)4(6)7/h4H,1-2H3"	CC(C)(C(=O)C(Br)Br)Br	HEYKFXBVIXZIFB-UHFFFAOYSA-N
DG51108	6-Chloro-2-methoxy-9-[(5-piperidinopentyl)amino]acridine	219600	NSC1063; NSC-1063; ZINC4353145; 6-CHLORO-2-METHOXY-9-[(5-PIPERIDINOPENTYL)AMINO]ACRIDINE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1063	.	.	.	.	412	C24H30ClN3O	37.4	487	6.1	29	1	4	8	"InChI=1S/C24H30ClN3O/c1-29-19-9-11-22-21(17-19)24(20-10-8-18(25)16-23(20)27-22)26-12-4-2-5-13-28-14-6-3-7-15-28/h8-11,16-17H,2-7,12-15H2,1H3,(H,26,27)"	COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCCCN4CCCCC4	MRDUIMWRCOBGBZ-UHFFFAOYSA-N
DG51109	"2-methyl-1-{[(1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy}propan-2-amine"	219648	"NSC1199; NSC-1199; 5396-21-4; CHEMBL1742272; DTXSID10968768; NCGC00013006; NCGC00013006-02; NCGC00096133-01; NCI60_000470; 2-(ISOBORNYLOXY)-1,1-DIMETHYLETHYLAMINE; 2-Methyl-1-[(1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]propan-2-amine; 2-methyl-1-{[(1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy}propan-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1199	.	.	.	.	225.37	C14H27NO	35.2	285	2.9	16	1	2	3	"InChI=1S/C14H27NO/c1-12(2,15)9-16-11-8-10-6-7-14(11,5)13(10,3)4/h10-11H,6-9,15H2,1-5H3/t10-,11+,14-/m1/s1"	C[C@]12CC[C@@H](C1(C)C)C[C@@H]2OCC(C)(C)N	ZTZRQPXJOXZJCX-UHIISALHSA-N
DG51110	N-Decyl-2-iodoacetamide	219690	5348-78-7; N-DECYL-2-IODOACETAMIDE; NSC1338; N-decyliodoacetamide; N-Decyl-2-iodoethanimidic acid; DTXSID30968200; NSC-1338; ZINC1576770	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1338	.	.	.	.	325.23	C12H24INO	29.1	151	4.7	15	1	1	10	"InChI=1S/C12H24INO/c1-2-3-4-5-6-7-8-9-10-14-12(15)11-13/h2-11H2,1H3,(H,14,15)"	CCCCCCCCCCNC(=O)CI	YSZAILKODPQVOU-UHFFFAOYSA-N
DG51111	"N-butyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine"	219760	"N-butyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine; MLS000108084; 68380-52-9; SMR000104047; NSC1433; CBMicro_029079; Cambridge id 5715590; N-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine; cid_219760; CHEMBL1409043; REGID_for_CID_219760; BDBM49325; DTXSID80987926; HMS2182N07; 4-(BUTYLAMINO)-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE; NSC-1433; ZINC1576826; STK874060; AKOS005167080; MCULE-6233902015; BIM-0029001.P001; N-butyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine; butyl-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amine; N-butyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine; N-Butyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1433	.	.	.	.	267.33	C15H17N5	55.6	292	3.4	20	1	4	5	"InChI=1S/C15H17N5/c1-2-3-9-16-14-13-10-19-20(15(13)18-11-17-14)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,16,17,18)"	CCCCNC1=C2C=NN(C2=NC=N1)C3=CC=CC=C3	GINHYDUSSMVIEH-UHFFFAOYSA-N
DG51112	2-(2-Methyl-2-nitropropoxy)bornane	219796	NSC1482; NSC-1482; CHEMBL1410543; NSC68002; NCGC00013009; NSC-68002; NCGC00013009-02; NCGC00096136-01; NCI60_001015; 2-(2-METHYL-2-NITROPROPOXY)BORNANE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1482	.	.	.	.	255.35	C14H25NO3	55	359	3.6	18	0	3	3	"InChI=1S/C14H25NO3/c1-12(2,15(16)17)9-18-11-8-10-6-7-14(11,5)13(10,3)4/h10-11H,6-9H2,1-5H3/t10-,11+,14-/m1/s1"	C[C@]12CC[C@@H](C1(C)C)C[C@@H]2OCC(C)(C)[N+](=O)[O-]	BJPQXEZVCKJQEG-UHIISALHSA-N
DG51113	"2-Chloro-3-phenoxy-1,4-naphthoquinone"	219799	"2-CHLORO-3-PHENOXY-1,4-NAPHTHOQUINONE; 71369-17-0; 2-chloro-3-phenoxynaphthalene-1,4-dione; MLS002637574; SMR001547105; 2-chloro-3-phenoxy-naphthalene-1,4-dione; 2-chloro-3-phenoxynaphthoquinone; NSC1507; Cyto4E11; cid_219799; CHEMBL1699845; BDBM80746; DTXSID40277294; HMS3082G16; ZINC161603; NSC-1507; 2-chloro-3-phenoxy1,4-naphthoquinone; MCULE-8562644897; DS-013112; 2-chloranyl-3-phenoxy-naphthalene-1,4-dione; AE-406/41055862; SR-01000880942; SR-01000880942-2; BRD-K97303563-001-04-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1507	.	.	.	.	284.69	C16H9ClO3	43.4	449	4	20	0	3	2	InChI=1S/C16H9ClO3/c17-13-14(18)11-8-4-5-9-12(11)15(19)16(13)20-10-6-2-1-3-7-10/h1-9H	C1=CC=C(C=C1)OC2=C(C(=O)C3=CC=CC=C3C2=O)Cl	QPTXRNYONDDBEL-UHFFFAOYSA-N
DG51114	"3-Phenanthrenepropionic acid, hydrazide"	219939	"NSC1760; 5345-87-9; NSC-1760; NCIStruc1_000108; NCIStruc2_000238; CHEMBL1332504; DTXSID70277343; NCI1760; 3-(3-phenanthryl)propanohydrazide; ZINC1577016; CCG-37778; NCGC00013013; NCGC00013013-02; NCGC00096140-01; NCI60_001447; 3-PHENANTHRENEPROPIONIC ACID, HYDRAZIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1760	.	.	.	.	264.32	C17H16N2O	55.1	344	3.2	20	2	2	3	"InChI=1S/C17H16N2O/c18-19-17(20)10-6-12-5-7-14-9-8-13-3-1-2-4-15(13)16(14)11-12/h1-5,7-9,11H,6,10,18H2,(H,19,20)"	C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)CCC(=O)NN	DWPVXPWVRGYTRD-UHFFFAOYSA-N
DG51115	Tribiphenyl-4-ylmethanol	219999	tribiphenyl-4-ylmethanol; tris(4-phenylphenyl)methanol; 5341-14-0; TRIS-BIPHENYL-4-YL-METHANOL; NSC2053; Tri(biphenyl-4-yl)methanol; CHEMBL1981549; DTXSID80277379; TRIS(4-BIPHENYLYL)METHANOL; NSC-2053; ZINC4403392; AKOS024399206; MCULE-6072724584; NCI60_001727	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2053	.	.	.	.	488.6	C37H28O	20.2	578	8.6	38	1	1	6	"InChI=1S/C37H28O/c38-37(34-22-16-31(17-23-34)28-10-4-1-5-11-28,35-24-18-32(19-25-35)29-12-6-2-7-13-29)36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27,38H"	C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C4=CC=CC=C4)(C5=CC=C(C=C5)C6=CC=CC=C6)O	FURWFDHTIUIMDC-UHFFFAOYSA-N
DG51116	"2-(2,5-Dihydroxy-4-methylphenyl)-5-methylbenzene-1,4-diol"	220284	"NSC2805; 4371-34-0; NSC-2805; MLS000736491; 4,4'-dimethyl[1,1'-biphenyl]-2,2',5,5'-tetrol; 2-(2,5-dihydroxy-4-methylphenyl)-5-methylbenzene-1,4-diol; SMR000528041; 4,4'-Dimethyl-[1,1'-biphenyl]-2,2',5,5'-tetraol;; NCIStruc1_000270; NCIStruc2_000160; cid_220284; SCHEMBL8738069; CHEMBL1527565; BDBM80025; DTXSID30277546; NCI2805; HMS2820E17; BCP29786; ZINC1641160; CCG-38084; NCGC00013025; NSC 2805; NSC-2805; NCGC00013025-02; NCGC00096152-01; NCI60_002280; 2,5,5'-Tetrahydroxy-4,4'-dimethylbiphenyl; 2-(2,5-dihydroxy-4-methyl-phenyl)-5-methyl-hydroquinone; 2-methyl-5-[4-methyl-2,5-bis(oxidanyl)phenyl]benzene-1,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2805	.	.	.	.	246.26	C14H14O4	80.9	255	2.9	18	4	4	1	"InChI=1S/C14H14O4/c1-7-3-13(17)9(5-11(7)15)10-6-12(16)8(2)4-14(10)18/h3-6,15-18H,1-2H3"	CC1=CC(=C(C=C1O)C2=C(C=C(C(=C2)O)C)O)O	DSVRCBOSZSZMRX-UHFFFAOYSA-N
DG51117	"4-N-(7-chloroquinolin-4-yl)-1-N-cyclohexylcyclohexane-1,4-diamine"	220625	NSC3618; CHEMBL425653; NSC-3618; ZINC28706435	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3618	.	.	.	.	357.9	C21H28ClN3	37	404	5.6	25	2	3	4	"InChI=1S/C21H28ClN3/c22-15-6-11-19-20(12-13-23-21(19)14-15)25-18-9-7-17(8-10-18)24-16-4-2-1-3-5-16/h6,11-14,16-18,24H,1-5,7-10H2,(H,23,25)"	C1CCC(CC1)NC2CCC(CC2)NC3=C4C=CC(=CC4=NC=C3)Cl	FTQCIXDQYNLVGY-UHFFFAOYSA-N
DG51118	1-(5-Bromo-4-nitrothiophen-2-yl)propan-1-one	220712	NSC3847; NSC-3847; ZINC1672880	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3847	.	.	.	.	264.1	C7H6BrNO3S	91.1	230	2.9	13	0	4	2	"InChI=1S/C7H6BrNO3S/c1-2-5(10)6-3-4(9(11)12)7(8)13-6/h3H,2H2,1H3"	CCC(=O)C1=CC(=C(S1)Br)[N+](=O)[O-]	JDEVKENZHCONKI-UHFFFAOYSA-N
DG51119	"10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid"	220774	"NSC167406; .beta.-Ursolic acid; Urs-12-en-28-oic acid, 3.beta.-hydroxy-; 10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; Bungeolic acid; Urs-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-; Urs-12-en-28-oic acid, (3.beta.)-; NSC4060; NSC 4060; MFCD00009621; Urs-12-en-28-oic acid, 3-hydroxy-; CHEMBL1979720; SCHEMBL13395361; CHEBI:95136; MCULE-6367656540; URSOLIC ACID B633868K036; SMP2_000329; 3.beta.-Hydroxyurs-12-en-28-oic acid; LS-15293; NCI60_001324; NCI60_003846; SY036316; Q27166922"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	167406	.	.	.	.	456.7	C30H48O3	57.5	874	7.3	33	2	3	1	"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)"	CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O	WCGUUGGRBIKTOS-UHFFFAOYSA-N
DG51120	"3-[(2-Oxo-1,2-diphenylethyl)amino]benzoic acid"	220828	NSC4232; CHEMBL1978930; NSC-4232; 5397-56-8; NCI60_003963	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4232	.	.	.	.	331.4	C21H17NO3	66.4	452	4.5	25	2	4	6	"InChI=1S/C21H17NO3/c23-20(16-10-5-2-6-11-16)19(15-8-3-1-4-9-15)22-18-13-7-12-17(14-18)21(24)25/h1-14,19,22H,(H,24,25)"	C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)O	GHTGNYOWLDGOGS-UHFFFAOYSA-N
DG51121	Strophanthin	220861	"STROPHANTHIN; .beta.-k-Strophanthin; K-Strophanthin-.beta.; Strophanthin K (crystalline); NSC4320; .beta.-Strophanthobioside, strophanthidin-3; Strophanthidin-glucocymarosid; 3-[(2,6-Dideoxy-4-O-hexopyranosyl-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide; NSC 4320; NSC-4320; 5.beta.-Card-20(22)-enolide,6-dideoxy-4-o-.beta.-D-glucopyranosyl-3-o-methyl-.beta.-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-; Card-20(22)-enolide,6-dideoxy-4-O-.beta.-D-glucopyranosyl-3-O-methyl-.beta.-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3.beta.,5.beta.)-; STROPHANTHIN-K, BETA; DTXSID00971387; NSC7670; NSC-7670; NCI60_004001; DB-050180; 3-[(2,6-Dideoxy-4-O-hexopyranosyl-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide #; 5.beta.-Card-20(22)-enolide, 3.beta.-((2,6-dideoxy-4-O-.beta.-D-glucopyranosyl-3-o-methyl-.beta.-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-; Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-.beta.-D-glucopyranosyl-3-O-methyl-.beta.-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3.beta.,5.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4320	.	.	.	.	710.8	C36H54O14	211	1330	-0.8	50	6	14	8	"InChI=1S/C36H54O14/c1-18-31(50-32-30(42)29(41)28(40)25(15-37)49-32)24(45-3)13-27(47-18)48-20-4-9-34(17-38)22-5-8-33(2)21(19-12-26(39)46-16-19)7-11-36(33,44)23(22)6-10-35(34,43)14-20/h12,17-18,20-25,27-32,37,40-44H,4-11,13-16H2,1-3H3"	CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)OC7C(C(C(C(O7)CO)O)O)O	FHIREUBIEIPPMC-UHFFFAOYSA-N
DG51122	3-(Benzenesulfonyl)-2-iodopropanenitrile	220946	NSC4512; NSC-4512	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4512	.	.	.	.	321.14	C9H8INO2S	66.3	319	1.6	14	0	3	3	"InChI=1S/C9H8INO2S/c10-8(6-11)7-14(12,13)9-4-2-1-3-5-9/h1-5,8H,7H2"	C1=CC=C(C=C1)S(=O)(=O)CC(C#N)I	HBXWJJCIVNSECK-UHFFFAOYSA-N
DG51123	Bis(4-amino-3-bromophenyl)methanone	220951	bis(4-amino-3-bromophenyl)methanone; 5398-61-8; NSC4518; SCHEMBL1376911; DTXSID60277852; NSC-4518; ZINC4365596	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4518	.	.	.	.	370.04	C13H10Br2N2O	69.1	285	3.3	18	2	3	2	"InChI=1S/C13H10Br2N2O/c14-9-5-7(1-3-11(9)16)13(18)8-2-4-12(17)10(15)6-8/h1-6H,16-17H2"	C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)N)Br)Br)N	DGQOTSSECYSWIZ-UHFFFAOYSA-N
DG51124	"2-phenyl-1H-imidazole-4,5-dicarboxylic acid"	221007	"2-phenyl-1H-imidazole-4,5-dicarboxylic acid; NSC4623; 888-60-8; CHEMBL1230276; 1H-Imidazole-4,5-dicarboxylic acid, 2-phenyl-; NSC-4623; 2-phenylimidazole-4,5-dicarboxylic acid; Oprea1_190184; CBDivE_003252; 1H-Imidazole-4, 2-phenyl-; SCHEMBL7829389; DTXSID50277886; NCI4623; ZINC189552; BDBM50329852; CCG-38033; NCGC00013047; AKOS005145199; NCGC00013047-02; NCGC00013047-03; NCGC00096173-01; NCI60_004091; Q27454667; 3137-17-5; 4F8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4623	.	.	.	.	232.19	C11H8N2O4	103	315	1.4	17	3	5	3	"InChI=1S/C11H8N2O4/c14-10(15)7-8(11(16)17)13-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,12,13)(H,14,15)(H,16,17)"	C1=CC=C(C=C1)C2=NC(=C(N2)C(=O)O)C(=O)O	GTYWKHXMYZVFSU-UHFFFAOYSA-N
DG51125	"2,3,4-Trihydroxy-5-[3-(hydroxymethyl)-9,10-dioxoanthracen-1-yl]oxypentanal"	221037	NSC4722; CHEMBL1968574; NSC-4722; NCI60_004113	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4722	.	.	.	.	386.4	C20H18O8	141	593	-0.4	28	4	8	7	"InChI=1S/C20H18O8/c21-7-10-5-13-17(19(26)12-4-2-1-3-11(12)18(13)25)16(6-10)28-9-15(24)20(27)14(23)8-22/h1-6,8,14-15,20-21,23-24,27H,7,9H2"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC(=C3)CO)OCC(C(C(C=O)O)O)O	UYKVHRDZCLQKBM-UHFFFAOYSA-N
DG51126	"1,3-Bis[(7-chloroquinolin-4-yl)amino]propan-2-ol"	221231	"NSC-5485; 6285-24-1; 1,3-bis[(7-chloroquinolin-4-yl)amino]propan-2-ol; NSC5485; CHEMBL1098340; DTXSID10277983; ZINC1686975; 1,3-bis(7-chloroquinolin-4-ylamino)propan-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5485	.	.	.	.	413.3	C21H18Cl2N4O	70.1	457	4.8	28	3	5	6	"InChI=1S/C21H18Cl2N4O/c22-13-1-3-16-18(5-7-24-20(16)9-13)26-11-15(28)12-27-19-6-8-25-21-10-14(23)2-4-17(19)21/h1-10,15,28H,11-12H2,(H,24,26)(H,25,27)"	C1=CC2=C(C=CN=C2C=C1Cl)NCC(CNC3=C4C=CC(=CC4=NC=C3)Cl)O	ALJKMVZFTOFZCQ-UHFFFAOYSA-N
DG51127	"2-[8-(Carboxymethyl)-9-oxo-10-thia-7-azabicyclo[4.4.0]deca-1,3,5-trien-8-yl]acetic acid"	221258	"NSC5620; MLS002637821; 6289-18-5; NSC-5620; NCIStruc1_000074; NCIStruc2_000308; CHEMBL1573554; DTXSID80277995; NCI5620; HMS3078O09; ZINC1687058; CCG-37734; NCGC00013060; NCGC00013060-02; NCGC00096184-01; NCI60_004370; SMR001547333; 2-[8-(carboxymethyl)-9-oxo-10-thia-7-azabicyclo[4.4.0]deca-1,3,5-trien-8-yl]acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5620	.	.	.	.	281.29	C12H11NO5S	129	395	0.9	19	3	7	4	"InChI=1S/C12H11NO5S/c14-9(15)5-12(6-10(16)17)11(18)19-8-4-2-1-3-7(8)13-12/h1-4,13H,5-6H2,(H,14,15)(H,16,17)"	C1=CC=C2C(=C1)NC(C(=O)S2)(CC(=O)O)CC(=O)O	COFQTUDFOWNJKX-UHFFFAOYSA-N
DG51128	"5-(3,4,5-Trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline"	221307	"MLS002637833; 6289-71-0; NSC5703; 5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline; CHEMBL1882588; SCHEMBL21951882; DTXSID00278020; HMS3078O15; NSC-5703; ZINC1687150; SMR001547345"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5703	.	.	.	.	339.3	C19H17NO5	59	436	3.5	25	0	6	4	"InChI=1S/C19H17NO5/c1-21-16-7-12(8-17(22-2)19(16)23-3)18-13-9-15-14(24-10-25-15)6-11(13)4-5-20-18/h4-9H,10H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2=NC=CC3=CC4=C(C=C32)OCO4	BRORELUZNXUCNK-UHFFFAOYSA-N
DG51129	"Methyl 8-hydroxy-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylate"	221309	NSC5705; 6289-72-1; DTXSID20278022; NSC-5705; ZINC1687152	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5705	.	.	.	.	412.4	C22H20O8	92.7	586	4	30	1	8	6	"InChI=1S/C22H20O8/c1-25-18-5-11(6-19(26-2)21(18)27-3)20-13-9-17-16(29-10-30-17)8-12(13)15(23)7-14(20)22(24)28-4/h5-9,23H,10H2,1-4H3"	COC1=CC(=CC(=C1OC)OC)C2=C(C=C(C3=CC4=C(C=C32)OCO4)O)C(=O)OC	JCWRRVYWBMQVMH-UHFFFAOYSA-N
DG51130	"9-(6-Methoxy-3,4-dihydroquinolin-1(2h)-yl)acridine"	221375	"NSC5908; 5461-47-2; 9-(6-methoxy-3,4-dihydroquinolin-1(2h)-yl)acridine; DTXSID40278049; NSC-5908; ZINC4365730"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5908	.	.	.	.	340.4	C23H20N2O	25.4	461	5.6	26	0	3	2	"InChI=1S/C23H20N2O/c1-26-17-12-13-22-16(15-17)7-6-14-25(22)23-18-8-2-4-10-20(18)24-21-11-5-3-9-19(21)23/h2-5,8-13,15H,6-7,14H2,1H3"	COC1=CC2=C(C=C1)N(CCC2)C3=C4C=CC=CC4=NC5=CC=CC=C53	UHMXXWDGLRSYLJ-UHFFFAOYSA-N
DG51131	"6-Methylanthracene-1,2,8-triol"	221502	NSC6152; NSC-112922; CHEMBL1939839; NSC-6152; ZINC1693303; NSC112922; NCI60_004975	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6152	.	.	.	.	240.25	C15H12O3	60.7	306	3.7	18	3	3	0	"InChI=1S/C15H12O3/c1-8-4-10-6-9-2-3-13(16)15(18)12(9)7-11(10)14(17)5-8/h2-7,16-18H,1H3"	CC1=CC2=C(C=C3C(=C2)C=CC(=C3O)O)C(=C1)O	CBEBNXQBODNTIB-UHFFFAOYSA-N
DG51132	"3,6-Dibromo-1-nitro-9H-carbazole"	221765	"3,6-Dibromo-1-nitro-9H-carbazole; 5416-22-8; 3,6-Dibromo-1-nitrocarbazole; NSC6777; Oprea1_176200; Oprea1_273277; SCHEMBL9630294; 3,6-dibromo-1-nitrocarba-zole; DTXSID50278252; ZINC753150; ALBB-024793; NSC-6777; MFCD00806880; STK162160; AKOS000666696; 3,6-Dibromo-1-nitro-9H-carbazole #; 9H-Carbazole, 3,6-dibromo-1-nitro-; MCULE-7374646297; LS-08212; CS-0319865; A917973"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6777	.	.	.	.	370	C12H6Br2N2O2	61.6	350	4.6	18	1	2	0	"InChI=1S/C12H6Br2N2O2/c13-6-1-2-10-8(3-6)9-4-7(14)5-11(16(17)18)12(9)15-10/h1-5,15H"	C1=CC2=C(C=C1Br)C3=C(N2)C(=CC(=C3)Br)[N+](=O)[O-]	XRMUUSATUCOGCF-UHFFFAOYSA-N
DG51133	"2,4-Dinitro-3'-nitrodiphenyl ether"	221812	"2,4-Dinitro-3'-nitrodiphenyl ether; 2,4-Dinitro-1-(3-nitrophenoxy)benzene; 2548-97-2; UNII-72I9A2I712; 72I9A2I712; Benzene,2,4-dinitro-1-(3-nitrophenoxy)-; SCHEMBL10362242; CHEBI:79799; DTXSID90180163; NSC6883; NSC 6883; NSC-6883; ZINC30729163; 1-(m-nitrophenoxy)-2,4-dinitrobenzene; DS-006777; Q27148935"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6883	.	.	.	.	305.2	C12H7N3O7	147	442	2.9	22	0	7	2	InChI=1S/C12H7N3O7/c16-13(17)8-2-1-3-10(6-8)22-12-5-4-9(14(18)19)7-11(12)15(20)21/h1-7H	C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	SFBYLUNXRRSEEP-UHFFFAOYSA-N
DG51134	"N-(4-bromophenyl)-3,4-dichlorobenzamide"	221819	"NSC6891; N-(4-bromophenyl)-3,4-dichlorobenzamide; NSC-6891; ZINC1867062; AKOS003871377"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6891	.	.	.	.	345	C13H8BrCl2NO	29.1	295	5.1	18	1	1	2	"InChI=1S/C13H8BrCl2NO/c14-9-2-4-10(5-3-9)17-13(18)8-1-6-11(15)12(16)7-8/h1-7H,(H,17,18)"	C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)Cl)Br	PLQRPDVJMCICKR-UHFFFAOYSA-N
DG51135	NSC7233	222032	"9,24-Dibromononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6(11),7,9,13,15,17,19,22(27),23,25,28(32),29,33-hexadecaene-12,21-dione; CHEMBL135934; 76415-41-3; NSC7233; SCHEMBL14206501; DTXSID80278422; NSC-7233; ZINC4410898; BDBM50107127; 3,12-dibromo-5,10-dihydroanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7233	.	.	.	.	614.3	C34H14Br2O2	34.1	946	9.4	38	0	2	0	InChI=1S/C34H14Br2O2/c35-15-1-3-17-19-5-7-21-22-8-6-20-18-4-2-16(36)14-28(18)34(38)26-12-10-24(30(22)32(20)26)23-9-11-25(31(19)29(21)23)33(37)27(17)13-15/h1-14H	C1=CC2=C(C=C1Br)C(=O)C3=CC=C4C5=CC=C6C7=C(C=CC(=C57)C8=C4C3=C2C=C8)C9=C(C6=O)C=C(C=C9)Br	YAWQJGMFKCTSSJ-UHFFFAOYSA-N
DG51136	5-Bromo-3-cyclohexyl-2-hydroxybenzamide	222105	MLS000736571; 6284-50-0; 5-bromo-3-cyclohexyl-2-hydroxybenzamide; NSC7420; CHEMBL1580132; SCHEMBL14058732; DTXSID10278450; HMS2856D14; NSC-7420; ZINC1683531; SMR000528068	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7420	.	.	.	.	298.18	C13H16BrNO2	63.3	279	4.9	17	2	2	2	"InChI=1S/C13H16BrNO2/c14-9-6-10(8-4-2-1-3-5-8)12(16)11(7-9)13(15)17/h6-8,16H,1-5H2,(H2,15,17)"	C1CCC(CC1)C2=C(C(=CC(=C2)Br)C(=O)N)O	UNSUXNUUERMPHL-UHFFFAOYSA-N
DG51137	4-amino-N-(4-tert-butylphenyl)benzenesulfonamide	222114	NSC7436; MLS000736572; NSC-7436; NCIStruc1_001050; NCIStruc2_000879; 4-amino-N-(4-tert-butylphenyl)benzenesulfonamide; CHEMBL1490904; SCHEMBL15740331; NCI7436; HMS2856B20; ZINC1683553; CCG-36752; NCGC00013079; AKOS009151291; NCGC00013079-02; NCGC00096203-01; NCI60_041624; SMR000528069	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7436	.	.	.	.	304.4	C16H20N2O2S	80.6	420	3.4	21	2	4	4	"InChI=1S/C16H20N2O2S/c1-16(2,3)12-4-8-14(9-5-12)18-21(19,20)15-10-6-13(17)7-11-15/h4-11,18H,17H2,1-3H3"	CC(C)(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N	QBRHVORBTKVOQZ-UHFFFAOYSA-N
DG51138	Proscillaridin A	222154	"Proscillaridin A; Proscillaridin-A; Caradrin; Caradrine; NSC7521; Cardiovite; Proscillan; Proscillaridine; Proslladin; Sandoscill; Scillacrist; Cardion; Carmazon; Coratol; Procardin; Procilan; Prostosin; Proszin; Protasin; Solestril; Stellarid; Talusin; Tradenal; Urgilan; Wirnesin; Simeon; 466-06-8; Herzo proscillan; Purosin-TC; 5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one; Transvaalin, degluco-; PSC-801; Desglucotransvaaline; A-32686; Scillarenin 3.beta.-rhamnoside; NSC-7521; Scillarenin, 3.alpha.-L-rhamnopyranoside; Rhamnopyranoside, .alpha.-L-; SCHEMBL1649544; CHEMBL1977418; HBL0000188; NCI60_041645; P8334; 14-Hydroxy-3.beta.-(rhamnosyloxy)bufa-4,22-trienolide; Desgluco-transvaalin3.beta.,20,22-trienolide 3-rhamnoside; (3Beta)-3-[(6-deoxyhexopyranosyl)oxy]-14-hydroxybufa-4,20,22-trienolide; [(6-Deoxy-.alpha.-L-mannopyranosyl)oxy]-14-hydroxybufa-4,22-trienolide; 3.beta.-Rhamnosido-14.beta.-hydroxy-.delta.(sup 4,22)-bufatrienolide; WLN: L E5 B666 MUTJ A1 E1 IQ F- ET6OVJ& O- BT6OTJ CQ DQ EQ F1; Bufa-4,22-trienolide, 3-[(6-deoxy-.alpha.-L-mannopyranosyl)oxy]-14-hydroxy-, (3.beta.)-; Bufa-4,22-trienolide, 3.beta.-[(16-deoxy-.alpha.-L-mannosyl)oxy]-14-hydroxy-; Bufa-4,22-trienolide, 3.beta.-[(6-deoxy-.alpha.-L-mannopyranosyl)oxy]-14-hydroxy-; 5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7521	.	.	.	.	530.6	C30H42O8	126	1070	1.9	38	4	8	3	"InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16 ,19-,20+,21-,22+,24 ,25 ,26 ,27 ,28-,29+,30-/m0/s1"	CC1C(C(C(C(O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O	MYEJFUXQJGHEQK-OWBILYANSA-N
DG51139	NSC7525	222156	"5-[(3S,8R,9S,10R,13R,14S,17R)-3-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one; NSC7525; 5-[(3S,8R,9S,10R,13R,14S,17R)-3-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one; CHEMBL1988384; DTXSID00924676; NSC-7525; NCI60_041648; .alpha.-L-Mannopyranoside, scillarenin-3 6-deoxy-4-O- .beta.-D-glucopyranosyl-; 3-[(6-Deoxy-3-O-hexopyranosylhexopyranosyl)oxy]-14-hydroxybufa-4,20,22-trienolide; 5-[(3S,8R,9S,10R,13R,14S,17R)-3-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one; Bufa-4,20,22-trienolide, 3-[(6-deoxy-3-O-hexopyranosylhexopyranosyl)oxy]-14-hydroxy-, (3b)-; Bufa-4,22-trienolide, 3-[(6-deoxy-4-O-.beta.-D-glucopyranosyl-.alpha.-L-mannopyranosyl)oxy]-14-hydroxy-, (3.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7525	.	.	.	.	692.8	C36H52O13	205	1370	0.3	49	7	13	6	"InChI=1S/C36H52O13/c1-17-26(39)31(49-32-29(42)28(41)27(40)24(15-37)48-32)30(43)33(46-17)47-20-8-11-34(2)19(14-20)5-6-23-22(34)9-12-35(3)21(10-13-36(23,35)44)18-4-7-25(38)45-16-18/h4,7,14,16-17,20-24,26-33,37,39-44H,5-6,8-13,15H2,1-3H3/t17 ,20-,21+,22-,23+,24 ,26 ,27 ,28 ,29 ,30 ,31 ,32 ,33 ,34-,35+,36-/m0/s1"	CC1C(C(C(C(O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O	SANIPSLLLIEJOB-NCQVURFFSA-N
DG51140	NSC7530	222159	"5,14-dihydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde; 5,14-dihydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde; STROPHANTHOSIDE-K; NSC7530; 3-{[hexopyranosyl-(1->6)hexopyranosyl-(1->4)-2,6-dideoxy-3-o-methylhexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide; DTXSID60954919; NCI60_041650"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7530	.	.	.	.	872.9	C42H64O19	290	1630	-2.9	61	9	19	11	"InChI=1S/C42H64O19/c1-19-36(61-38-35(51)33(49)31(47)27(60-38)17-56-37-34(50)32(48)30(46)26(15-43)59-37)25(54-3)13-29(57-19)58-21-4-9-40(18-44)23-5-8-39(2)22(20-12-28(45)55-16-20)7-11-42(39,53)24(23)6-10-41(40,52)14-21/h12,18-19,21-27,29-38,43,46-53H,4-11,13-17H2,1-3H3"	CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O	GILGYKHFZXQALF-UHFFFAOYSA-N
DG51141	"Scillirosidin, glycoside"	222160	"SCILLIROSIDIN, GLYCOSIDE; NSC7534; Scillirosidin glycoside; 6-(Acetyloxy)-3,8,14-trihydroxybufa-4,20,22-trienolide; Neuro_000007; CHEMBL2007406; DTXSID50964941; NSC-7534; NCI60_041652; 6-(Acetyloxy)-3,8,14-trihydroxybufa-4,20,22-trienolide #; Bufa-4,20,22-trienolide, 3-.beta.,6-.beta.,8,14-tetrahydroxy-, 6-acetate; Bufa-4,20,22-trienolide, 6-(acetyloxy)-3,8,14-trihydroxy-, (3-.beta.,6-.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7534	.	.	.	.	458.5	C26H34O7	113	981	1.2	33	3	7	3	"InChI=1S/C26H34O7/c1-15(27)33-20-13-25(30)21(23(2)9-6-17(28)12-19(20)23)8-10-24(3)18(7-11-26(24,25)31)16-4-5-22(29)32-14-16/h4-5,12,14,17-18,20-21,28,30-31H,6-11,13H2,1-3H3"	CC(=O)OC1CC2(C(CCC3(C2(CCC3C4=COC(=O)C=C4)O)C)C5(C1=CC(CC5)O)C)O	SOJXCEWHLPYBAF-UHFFFAOYSA-N
DG51142	"N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-1-(4-fluorophenyl)butane-1,4-diamine"	222439	NSC8360; NSC-8360; 3870-43-7	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8360	.	.	.	.	480	C28H31ClFN3O	37.4	600	7.2	34	1	5	10	"InChI=1S/C28H31ClFN3O/c1-4-33(5-2)16-6-7-25(19-8-11-21(30)12-9-19)32-28-23-14-10-20(29)17-27(23)31-26-15-13-22(34-3)18-24(26)28/h8-15,17-18,25H,4-7,16H2,1-3H3,(H,31,32)"	CCN(CC)CCCC(C1=CC=C(C=C1)F)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC	IUQXIOUBUALYAC-UHFFFAOYSA-N
DG51143	"1-(Naphthalen-2-yl)-9,10-dihydroanthracene-2-carboxylic acid"	222760	"NSC9608; NSC-9608; NCIStruc1_001012; NCIStruc2_000716; SCHEMBL5022959; CHEMBL1399619; NCI9608; ZINC3953831; CCG-36883; NCGC00013098; NCGC00013098-02; NCGC00096220-01; NCI60_042143; 1-(naphthalen-2-yl)-9,10-dihydroanthracene-2-carboxylic acid; 1-(2-naphthyl)-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9608	.	.	.	.	378.4	C25H14O4	71.4	684	5.3	29	1	4	2	"InChI=1S/C25H14O4/c26-23-17-7-3-4-8-18(17)24(27)22-19(23)11-12-20(25(28)29)21(22)16-10-9-14-5-1-2-6-15(14)13-16/h1-13H,(H,28,29)"	C1=CC=C2C=C(C=CC2=C1)C3=C(C=CC4=C3C(=O)C5=CC=CC=C5C4=O)C(=O)O	IPGCPQVGKGPJDW-UHFFFAOYSA-N
DG51144	Fumagillol	222778	"Fumagillol; 108102-51-8; UNII-409OS4DE8W; Gelcohol; 409OS4DE8W; CHEBI:324935; NSC9665; Alcohol-I from Fumagillin; (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol; 1-Oxaspiro[2.5]octan-6-ol,5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-,(3R,4S,5S,6R)-; MLS003389373; (3R,4S,5S,6R)-5-methoxy-4-((2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro[2.5]octan-6-ol; (3r,4s,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol; Alcohol-I from funagillin; CHEMBL137317; SCHEMBL2553407; NSC-9665; ZINC4416431; FUMAGILLIN, ALCOHOL I ORIGIN; AKOS030241038; HY-103643; CS-0028784; J-002058; Q27105155; 1-Oxaspiro[2.5]octan-6-ol,3-epoxy-1,5-dimethyl-4-hexenyl)-5-methoxy-; 1-Oxaspiro(2.5)octan-6-ol, 5-methoxy-4-(2-methyl-3-(3-methyl-2-butenyl)oxiranyl)-, (3R-(3alpha,4alpha(2R*,3R*),5beta,6beta))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9665	.	.	.	.	282.37	C16H26O4	54.5	417	1.7	20	1	4	4	"InChI=1S/C16H26O4/c1-10(2)5-6-12-15(3,20-12)14-13(18-4)11(17)7-8-16(14)9-19-16/h5,11-14,17H,6-9H2,1-4H3/t11-,12-,13-,14-,15+,16+/m1/s1"	CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)O)OC)C	CEVCTNCUIVEQOY-JQOWZUPLSA-N
DG51145	"2,4-Dichloro-6-[(5-chloro-2-hydroxyphenyl)methyl]phenol"	222840	"2,4-dichloro-6-[(5-chloro-2-hydroxyphenyl)methyl]phenol; 5419-53-4; NSC9768; DTXSID60278743; NSC-9768; ZINC1700181"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9768	.	.	.	.	303.6	C13H9Cl3O2	40.5	277	4.9	18	2	2	2	"InChI=1S/C13H9Cl3O2/c14-9-1-2-12(17)7(4-9)3-8-5-10(15)6-11(16)13(8)18/h1-2,4-6,17-18H,3H2"	C1=CC(=C(C=C1Cl)CC2=C(C(=CC(=C2)Cl)Cl)O)O	IYRGELGEXONOMJ-UHFFFAOYSA-N
DG51146	"2,6-Bis[(3,5-dichloro-2-hydroxyphenyl)methyl]-4-pentan-2-ylphenol"	222841	NSC9771; NSC-9771	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9771	.	.	.	.	514.299	C25H24Cl4O3	60.7	539	9.4	32	3	3	7	"InChI=1S/C25H24Cl4O3/c1-3-4-13(2)14-5-15(7-17-9-19(26)11-21(28)24(17)31)23(30)16(6-14)8-18-10-20(27)12-22(29)25(18)32/h5-6,9-13,30-32H,3-4,7-8H2,1-2H3"	CCCC(C)C1=CC(=C(C(=C1)CC2=C(C(=CC(=C2)Cl)Cl)O)O)CC3=C(C(=CC(=C3)Cl)Cl)O	CXRWSMYCZWHYIS-UHFFFAOYSA-N
DG51147	"2-(4-chlorophenyl)-N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine"	222938	NSC10036; NSC-10036	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10036	.	.	.	.	416.4	C23H27Cl2N3	28.2	438	6.2	28	1	3	9	"InChI=1S/C23H27Cl2N3/c1-3-28(4-2)14-12-18(17-5-7-19(24)8-6-17)16-27-22-11-13-26-23-15-20(25)9-10-21(22)23/h5-11,13,15,18H,3-4,12,14,16H2,1-2H3,(H,26,27)"	CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC=C1)Cl)C3=CC=C(C=C3)Cl	DSMFZNJRJXGJSS-UHFFFAOYSA-N
DG51148	"N-(7-chloroquinolin-4-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine"	222939	NSC10037; NSC-10037; 6286-25-5	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10037	.	.	.	.	381.9	C23H28ClN3	28.2	408	5.6	27	1	3	9	"InChI=1S/C23H28ClN3/c1-3-27(4-2)15-13-19(18-8-6-5-7-9-18)17-26-22-12-14-25-23-16-20(24)10-11-21(22)23/h5-12,14,16,19H,3-4,13,15,17H2,1-2H3,(H,25,26)"	CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC=C1)Cl)C3=CC=CC=C3	MTCDAAIAIIMJHW-UHFFFAOYSA-N
DG51149	"2-(4-chlorophenyl)-N-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine"	223170	"5418-59-7; NSC13052; DTXSID30278891; NSC10492; NSC-10492; NSC-13052; 2-(4-chlorophenyl)-N-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine; 2-(4-chlorophenyl)-N-(7-chloroquinolin-4-yl)-N',5-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10492	.	.	.	.	430.4	C24H29Cl2N3	28.2	451	6.6	29	1	3	10	"InChI=1S/C24H29Cl2N3/c1-3-29(4-2)15-5-6-19(18-7-9-20(25)10-8-18)17-28-23-13-14-27-24-16-21(26)11-12-22(23)24/h7-14,16,19H,3-6,15,17H2,1-2H3,(H,27,28)"	CCN(CC)CCCC(CNC1=C2C=CC(=CC2=NC=C1)Cl)C3=CC=C(C=C3)Cl	FTCNBUOQORTZBK-UHFFFAOYSA-N
DG51150	Hydrocortisone cypionate	223253	"HYDROCORTISONE CYPIONATE; 508-99-6; Cortef fluid; Cortef oral suspension; Cortisol 21-cyclopentanepropionate; Hydrocortisone Cyclopentylpropionate; Hydrocortisone cyclopentyl propionate; UNII-4XDY25L70B; Hydrocortisone cipionate; NSC 10721; 4XDY25L70B; CHEBI:5783; Cortisol, 21-cyclopentanepropionate; NSC-10721; [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 3-cyclopentylpropanoate; Hydrocortisone 21.beta.-cyclopentanepropionate; 17-Hydroxycorticosterone 21.beta.-cyclopentylpropionate; 17-(3-cyclopentyl-1-propionyl)-11beta,17alpha,21-trihydroxypregn-4-ene-3,20-dione; MLS002638159; Hydrocortisone cypionate [USP]; C29H42O6; EINECS 208-091-0; Hydrocortisone 21beta-cyclopentanepropionate; CHEMBL1549; SCHEMBL41673; 17-Hydroxycorticosterone 21beta-cyclopentylpropionate; DTXSID90872930; Hydrocortisone cypionate(200 mg); NSC10721; ZINC4097470; BDBM50371265; HY-U00089; LMST02030121; 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-cyclopentanepropionate; DB14541; NCI60_000174; Cortisol, 21-cyclopentanepropionate (8CI); C08176; D00976; Q27106891; Pregn-4-ene-3, 21-(3-cyclopentyl-1-oxopropoxy)-11,17-dihydroxy-, (11.beta.)-; Pregn-4-ene-3,20-dione, 21-(3-cyclopentyl-1-oxopropoxy)-11,17-dihydroxy-, (11.beta.)-; Pregn-4-ene-3,20-dione, 21-(3-cyclopentyl-1-oxopropoxy)-11,17-dihydroxy-, (11beta)-; 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl 3-cyclopentylpropanoate, (17.alpha.,21.beta.)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10721	.	.	.	.	486.6	C29H42O6	101	918	4.7	35	2	6	7	"InChI=1S/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1"	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCC5CCCC5)O)C)O	DLVOSEUFIRPIRM-KAQKJVHQSA-N
DG51151	"1-Hydroxy-7,8,9,10-tetrahydro-6H-dibenzo[c,h]chromen-6-one"	223320	"1-Hydroxy-7,8,9,10-tetrahydro-6H-dibenzo[c,h]chromen-6-one; 5408-46-8; NSC10848; 1-Hydroxy-7,8,9,10-tetrahydro-6H-dibenzo(c,h)chromen-6-one; 1-hydroxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one; NSC 10848; CHEMBL1995990; DTXSID90202410; HMS1595E19; ALBB-015765; ZINC1237938; MFCD06623747; NSC-10848; STL466139; AKOS004938532; MCULE-9505567059; NCI60_000199; NS-04201; CS-0271696; SR-01000289262; SR-01000289262-1; 6H-Benzo[d]naphtho[1,2-b]pyran-6-one, 7,8,9,10-tetrahydro-1-hydroxy-; 15-hydroxy-9-oxatetracyclo[8.8.0.0(2), .0(1)(1),(1) ]octadeca-1(18),2(7),10,12,14,16-hexaen-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10848	.	.	.	.	266.29	C17H14O3	46.5	453	3.7	20	1	3	0	"InChI=1S/C17H14O3/c18-15-7-3-6-12-11(15)8-9-13-10-4-1-2-5-14(10)17(19)20-16(12)13/h3,6-9,18H,1-2,4-5H2"	C1CCC2=C(C1)C3=C(C4=C(C=C3)C(=CC=C4)O)OC2=O	RJMGRGVAXQHCTH-UHFFFAOYSA-N
DG51152	"3-(Dipentylamino)-1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol"	223647	"6288-46-6; 3-(dipentylamino)-1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol; NSC11420; CHEMBL1992349; DTXSID00279158; NSC-11420"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11420	.	.	.	.	399.6	C26H41NO2	32.7	428	7.1	29	1	3	13	"InChI=1S/C26H41NO2/c1-6-8-12-18-27(19-13-9-7-2)20-26(3,4)25(28)23-16-17-24(29-5)22-15-11-10-14-21(22)23/h10-11,14-17,25,28H,6-9,12-13,18-20H2,1-5H3"	CCCCCN(CCCCC)CC(C)(C)C(C1=CC=C(C2=CC=CC=C21)OC)O	UKDUPHWVSJDRHH-UHFFFAOYSA-N
DG51153	Antineoplastic-11452	223660	NSC11452; ANTINEOPLASTIC-11452; NSC-11452	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11452	.	.	.	.	323.2	C12H10AsNO3S	71.6	365	.	18	1	4	3	"InChI=1S/C12H10AsNO3S/c15-13-10-6-8-12(9-7-10)18(16,17)14-11-4-2-1-3-5-11/h1-9,14H"	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)[As]=O	YUOGJQAYDKANMW-UHFFFAOYSA-N
DG51154	"4-Hydroxy-2,5-dimethyl-3,4-diphenylcyclopent-2-en-1-one"	223673	"5423-06-3; MLS002638215; 4-hydroxy-2,5-dimethyl-3,4-diphenylcyclopent-2-en-1-one; 4-Hydroxy-2,5-dimethyl-3,4-diphenyl-cyclopent-2-enone; NSC 11511; 2-Cyclopenten-1-one, 4-hydroxy-2,5-dimethyl-3,4-diphenyl-; SMR001547704; NSC11511; 2,5-Dimethyl-3,4-diphenyl-4-hydroxy-2-cyclopenten-1-one; cid_223673; CHEMBL1903930; NIOSH/GY7277500; BDBM91371; DTXSID60279174; HMS3080D05; MFCD00088448; NSC-11511; AKOS024323931; MCULE-6634942693; TS-7257; GY72775000; 2,5-Dimethyl-3,4-diphenyl-4-hydroxy-2-cyclopentene-1-one; 4-hydroxy-2,5-dimethyl-3,4-diphenyl-1-cyclopent-2-enone; 4-hydroxy-2,5-dimethyl-3,4-diphenyl-cyclopent-2-en-1-one; 2,5-DIMETHYL-3,4-DIPHENYL-4-HYDROXY-2-CYCLOPENTENONE; 2,5-dimethyl-4-oxidanyl-3,4-diphenyl-cyclopent-2-en-1-one; 2-Cyclopenten-1-one, 2,5-dimethyl-3,4-diphenyl-4-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11511	.	.	.	.	278.3	C19H18O2	37.3	439	3	21	1	2	2	"InChI=1S/C19H18O2/c1-13-17(15-9-5-3-6-10-15)19(21,14(2)18(13)20)16-11-7-4-8-12-16/h3-12,14,21H,1-2H3"	CC1C(=O)C(=C(C1(C2=CC=CC=C2)O)C3=CC=CC=C3)C	VAAQGIJITBVELH-UHFFFAOYSA-N
DG51155	"4-(4-Chlorophenyl)sulfanyl-1-methylpyrazolo[3,4-d]pyrimidine"	223719	MLS000737952; NSC11624; Maybridge3_001738; CHEMBL1906528; HMS1435O22; HMS2884O18; ZINC116869; NSC-11624; CCG-238717; MCULE-2442204132; IDI1_013125; SMR000528102; BRD-K20935905-001-08-7	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11624	.	.	.	.	276.75	C12H9ClN4S	68.9	285	3.2	18	0	4	2	"InChI=1S/C12H9ClN4S/c1-17-11-10(6-16-17)12(15-7-14-11)18-9-4-2-8(13)3-5-9/h2-7H,1H3"	CN1C2=C(C=N1)C(=NC=N2)SC3=CC=C(C=C3)Cl	DWNXJJMPMJYMAB-UHFFFAOYSA-N
DG51156	"1-Phenyl-4-propoxy-6-propylsulfanylpyrazolo[3,4-d]pyrimidine"	223750	MLS000737953; NSC11663; CHEMBL1539638; SCHEMBL15503833; HMS2884O16; ZINC1718481; NSC-11663; SMR000528103	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11663	.	.	.	.	328.4	C17H20N4OS	78.1	354	4.8	23	0	5	7	"InChI=1S/C17H20N4OS/c1-3-10-22-16-14-12-18-21(13-8-6-5-7-9-13)15(14)19-17(20-16)23-11-4-2/h5-9,12H,3-4,10-11H2,1-2H3"	CCCOC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)SCCC	HJYNXQLPHAIUGN-UHFFFAOYSA-N
DG51157	"4-N,6-N-bis(4-bromophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine"	223752	"MLS000737955; SMR000528105; NSC11667; cid_223752; CHEMBL1601820; SCHEMBL17207740; BDBM78331; ZINC1718485; NSC-11667; 4-N,6-N-bis(4-bromophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine; N4,N6-bis(4-bromophenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine; N4,N6-bis(4-bromophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine; [4-(4-bromoanilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]-(4-bromophenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11667	.	.	.	.	474.2	C18H14Br2N6	67.7	453	5.3	26	2	5	4	"InChI=1S/C18H14Br2N6/c1-26-17-15(10-21-26)16(22-13-6-2-11(19)3-7-13)24-18(25-17)23-14-8-4-12(20)5-9-14/h2-10H,1H3,(H2,22,23,24,25)"	CN1C2=NC(=NC(=C2C=N1)NC3=CC=C(C=C3)Br)NC4=CC=C(C=C4)Br	PWZSMHFUFVPPLU-UHFFFAOYSA-N
DG51158	"4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine"	223753	"NSC11668; MLS000737956; NSC-11668; NCIStruc1_001174; NCIStruc2_000793; cid_223753; CHEMBL1335220; SCHEMBL13100664; BDBM32629; N4,4-d]pyrimidine-4,6-diamine; NCI11668; ZINC1718486; CCG-36888; NCGC00013125; 4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine; AKOS024255121; MCULE-2217239478; NCGC00013125-02; NCGC00096246-01; NCI60_000381; SMR000528106; N4,N6-bis(3-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11668	.	.	.	.	385.2	C18H14Cl2N6	67.7	469	5.2	26	2	5	4	"InChI=1S/C18H14Cl2N6/c1-26-17-15(10-21-26)16(22-13-6-2-4-11(19)8-13)24-18(25-17)23-14-7-3-5-12(20)9-14/h2-10H,1H3,(H2,22,23,24,25)"	CN1C2=NC(=NC(=C2C=N1)NC3=CC(=CC=C3)Cl)NC4=CC(=CC=C4)Cl	HRCYEQFRHAXCRH-UHFFFAOYSA-N
DG51159	6-Methoxy-4-methylcoumarin	223821	"6-Methoxy-4-methylcoumarin; 6295-35-8; 6-methoxy-4-methyl-2H-chromen-2-one; 6-methoxy-4-methylchromen-2-one; 4-Methyl-6-methoxycoumarin; 6-Methoxy-4-methyl-chromen-2-one; NSC11841; 2H-1-Benzopyran-2-one, 6-methoxy-4-methyl-; TimTec1_005460; MLS000085646; SCHEMBL7115071; CHEMBL1562020; ZINC58048; DTXSID60279235; HMS1549I04; HMS2308E04; 6-Methoxy-4-methylcoumarin, 98%; MFCD00635101; NSC-11841; STK749417; AKOS001704594; AT15780; MCULE-6494272563; NCGC00050291-02; NCGC00173199-01; AS-62242; NCI60_000442; SMR000020775; DB-023751; FT-0735885; M1398; A868302; AK-087/40097203; SR-01000509815; SR-01000509815-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11841	.	.	.	.	190.19	C11H10O3	35.5	270	2.2	14	0	3	1	"InChI=1S/C11H10O3/c1-7-5-11(12)14-10-4-3-8(13-2)6-9(7)10/h3-6H,1-2H3"	CC1=CC(=O)OC2=C1C=C(C=C2)OC	KNGPIBWCWOQBEK-UHFFFAOYSA-N
DG51160	"3,4,6-Trichloro-2-[[2-[(2,3,5-trichloro-6-hydroxyphenyl)methylamino]ethylamino]methyl]phenol"	223883	NSC11969; NSC-11969; ZINC19366525	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11969	.	.	.	.	479	C16H14Cl6N2O2	64.5	400	7.2	26	4	4	7	"InChI=1S/C16H14Cl6N2O2/c17-9-3-11(19)15(25)7(13(9)21)5-23-1-2-24-6-8-14(22)10(18)4-12(20)16(8)26/h3-4,23-26H,1-2,5-6H2"	C1=C(C(=C(C(=C1Cl)Cl)CNCCNCC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl	LABARNRANBXRQE-UHFFFAOYSA-N
DG51161	NSC11981	223889	"3-Methyl-8-(pentyliminomethyl)-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-(pentyliminomethyl)-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol; NSC11981; 5422-60-6; CHEMBL1964518; DTXSID80442308; ZINC4428306; NSC-11981; ZINC150386961; ZINC150386963"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11981	.	.	.	.	656.8	C40H52N2O6	146	957	9.6	48	6	8	13	"InChI=1S/C40H52N2O6/c1-9-11-13-15-41-19-27-33-25(29(21(3)4)39(47)35(27)43)17-23(7)31(37(33)45)32-24(8)18-26-30(22(5)6)40(48)36(44)28(34(26)38(32)46)20-42-16-14-12-10-2/h17-22,43-48H,9-16H2,1-8H3"	CCCCCN=CC1=C(C(=C(C2=C1C(=C(C(=C2)C)C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCCCCC)O)O)C(C)C)O)O)C(C)C)O)O	BBVAWKRITDKJPY-UHFFFAOYSA-N
DG51162	"3-Tert-butylindeno[1,2-c]pyrazol-4(3ah)-one"	223899	"NSC11991; MLS000737966; 6287-80-5; 3-(tert-Butyl)indeno[1,2-c]pyrazol-4(3aH)-one; 3-tert-butylindeno[1,2-c]pyrazol-4(3ah)-one; CHEMBL1527630; REGID_for_CID_223899; DTXSID80279257; HMS2880G11; NSC-11991"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11991	.	.	.	.	226.27	C14H14N2O	41.8	428	2.9	17	0	3	1	"InChI=1S/C14H14N2O/c1-14(2,3)13-10-11(15-16-13)8-6-4-5-7-9(8)12(10)17/h4-7,10H,1-3H3"	CC(C)(C)C1=NN=C2C1C(=O)C3=CC=CC=C32	RAFCLOURPITYQX-UHFFFAOYSA-N
DG51163	"2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid"	223918	"NSC638156; NSC-638156; 6287-94-1; 2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid; NSC12024; NCIStruc1_000959; NCIStruc2_001107; SCHEMBL7319207; CHEMBL1453463; DTXSID70279266; Malonic acid, p-phenylbenzylidene-; ZINC1871093; CCG-36769; NCGC00014951; NCI638156; NSC-12024; Malonic acid, (4-biphenylylmethylene)-; NCGC00014951-02; NCGC00098051-01; NCI60_012708; 2-[(4-phenylphenyl)methylene]propanedioic acid; Propanedioic acid,1'-biphenyl]-4-ylmethylene)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638156	.	.	.	.	268.26	C16H12O4	74.6	369	4.3	20	2	4	4	"InChI=1S/C16H12O4/c17-15(18)14(16(19)20)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H,(H,17,18)(H,19,20)"	C1=CC=C(C=C1)C2=CC=C(C=C2)C=C(C(=O)O)C(=O)O	VUKIGYZXHRSZFY-UHFFFAOYSA-N
DG51164	7-Hydroxy-8-[[4-[4-[(2-hydroxy-8-sulfonaphthalen-1-yl)diazenyl]phenyl]sulfonylphenyl]diazenyl]naphthalene-1-sulfonic acid	223984	NSC12129; 7251-99-2; CHEMBL1980579; ZINC4428369; ZINC82170345; ZINC150387022; NCI60_000499	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12129	.	.	.	.	718.7	C32H22N4O10S3	258	1420	5.6	49	4	14	8	"InChI=1S/C32H22N4O10S3/c37-25-17-7-19-3-1-5-27(48(41,42)43)29(19)31(25)35-33-21-9-13-23(14-10-21)47(39,40)24-15-11-22(12-16-24)34-36-32-26(38)18-8-20-4-2-6-28(30(20)32)49(44,45)46/h1-18,37-38H,(H,41,42,43)(H,44,45,46)"	C1=CC2=C(C(=C1)S(=O)(=O)O)C(=C(C=C2)O)N=NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N=NC5=C(C=CC6=C5C(=CC=C6)S(=O)(=O)O)O	XQDXOBGAFYLUDL-UHFFFAOYSA-N
DG51165	Isoguanosine	223996	"Isoguanosine; NSC12161; 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one; 9-(b-D-Arabinofuranosyl)isoguanine; NSC-12161; Isoguanine, 9-.beta.-D-ribofuranosyl-; Oprea1_714106; Adenosine,2-dihydro-2-oxo-; 2-Hydroxyadenosine;Isoguanosine; CHEMBL296017; SCHEMBL6683263; DTXSID70939474; BCP34471; STK370034; AKOS005445385; MCULE-2470639762; NCGC00168561-01; 6-Amino-9-pentofuranosyl-9H-purin-2-ol; NCI60_000505; FT-0600136; L000826; 6-amino-9-pentofuranosyl-3,9-dihydro-2H-purin-2-one; Q15632739; 6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12161	.	.	.	.	283.24	C10H13N5O5	153	544	-3	20	5	7	2	"InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)"	C1=NC2=C(NC(=O)N=C2N1C3C(C(C(O3)CO)O)O)N	MIKUYHXYGGJMLM-UHFFFAOYSA-N
DG51166	9-Fluoroprednisolone	224001	"9-Fluoroprednisolone; .DELTA.-Fluorocortisone; MLS002701904; NSC12174; 9-Fluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione; CHEMBL1703090; SCHEMBL19715951; 9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; NCI60_000506; SMR001565488; FT-0670457; Pregna-1,20-dione, 9-fluoro-11.beta.,17,21-trihydroxy-; Pregna-1,20-dione, 9-fluoro-11,17,21-trihydroxy-, (11.beta.)-; Pregna-1,4-diene-3, 20-dione, 9-fluoro-11.beta.,17,21-trihydroxy-; Pregna-1, 4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-, (11.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12174	.	.	.	.	378.4	C21H27FO5	94.8	775	1.5	27	3	6	2	"InChI=1S/C21H27FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h5,7,9,14-16,23,25,27H,3-4,6,8,10-11H2,1-2H3"	CC12CC(C3(C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC43C)F)O	WAIJIHDWAKJCBX-UHFFFAOYSA-N
DG51167	Drostanolone propionate	224004	"drostanolone propionate; DROMOSTANOLONE PROPIONATE; 521-12-0; Emdisterone; Permastril; Blackburn Compound; Masterid; Masteron; 2MDTP; 2M-DHTP; Drolban; Masteril; Masterone; Medrotestron propionate; Medrotestrone propanoate; Medrotestrone propionate; MDHT; Dromostanolone proprionate; Lilly 32379; Re 346; UNII-X20UZ57G4O; Dromostanolone 17-propionate; RS 1567; 2alpha-Methyl-4,5-dihydrotestosterone propionate; NSC-1298; Testosterone, 4,5alpha-dihydro-2alpha-methyl-, propionate; 17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one propionate; X20UZ57G4O; CHEBI:31523; NSC-12198; [(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] propanoate; Androstan-3-one, 2-methyl-17-(1-oxopropoxy)-, (2a,5a,17b)-; 2.alpha.-Methyldihydrotestosterone propionate; 2.alpha.-Methyl-4,5-dihydrotestosterone propionate; 2alpha-methyl-3-oxo-5alpha-androstan-17beta-yl propanoate; Nomasteron; 17.beta.-Hydroxy-2.alpha.-methyl-5.alpha.-androstan-3-one propionate; (2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl propionate; Drolban (TN); Masteron (TN); EINECS 208-303-1; Dromostanolone propionate [USAN:USP]; BRN 3161958; AI3-52810; SCHEMBL3173; Androstan-3-one, 2-methyl-17-(1-oxopropoxy)-; 4-08-00-00654 (Beilstein Handbook Reference); 17b-hydroxy-2a-methyl-5a-androstan-3-one propionate; Drostanolone propionate (JAN); GTPL6947; CHEMBL1201048; DTXSID1022972; Dromostanolone propionate (USAN); Androstan-3-one, 2-methyl-17-(1-oxopropoxy)-, (2.alpha.,5.alpha.,17.beta.)-; (2alpha,5alpha,17beta)-2-methyl-3-oxoandrostan-17-yl propanoate; NSC12198; ZINC4213057; MFCD01669961; s4794; AKOS015895157; ACN-031995; CCG-268166; DB14655; DS-3972; NCGC00507798-01; HY-107344; CS-0028187; C15917; D01534; 521D120; A828929; Q5308606; W-105852; Testosterone,5.alpha.-dihydro-2.alpha.-methyl-, propionate; Testosterone, 4,5.alpha.-dihydro-2.alpha.-methyl-, propionate; Androstan-3-one,2-methyl-17-(1-oxopropoxy)-,(2; A,5; A,17; A)-; 5-alpha-Androstan-3-one, 17-beta-hydroxy-2-alpha-methyl-, propionate; 5.alpha.-Androstan-3-one, 17.beta.-hydroxy-2.alpha.-methyl-, propionate; Androstan-3-one, 2-methyl-17-(1-oxopropoxy)-, (2alpha,5alpha,17beta)-; 2-Methyl-3-oxoandrostan-17-yl propionate, (2.alpha.,5.alpha.,17.beta.)- #; [(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] propanoate; propanoic acid [(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12198	.	.	.	.	360.5	C23H36O3	43.4	598	5.3	26	0	3	3	"InChI=1S/C23H36O3/c1-5-21(25)26-20-9-8-17-16-7-6-15-12-19(24)14(2)13-23(15,4)18(16)10-11-22(17,20)3/h14-18,20H,5-13H2,1-4H3/t14-,15+,16+,17+,18+,20+,22+,23+/m1/s1"	CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)C)C)C	NOTIQUSPUUHHEH-UXOVVSIBSA-N
DG51168	4-((4-Hydroxyphenyl)diazenyl)phenylarsonic acid	224279	NSC12650; 4-((4-Hydroxyphenyl)diazenyl)phenylarsonic acid; 5425-66-1; MLS000737387; NSC-12650; NSC 12650; NCIStruc1_000976; NCIStruc2_000959; ANTINEOPLASTIC-12650; CHEMBL1363838; CHEMBL1742120; CHEMBL1980565; HMS2886F15; NCI12650; CCG-36794; NCGC00013140; 4-Hydroxyazobenzene-4'-ylarsonic acid; NCGC00013140-02; NCGC00096261-01; NCI60_000609; SMR000528121; [4-[(E)-(4-hydroxyphenyl)azo]phenyl]arsonic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12650	.	.	.	.	322.15	C12H11AsN2O4	103	355	.	19	3	6	3	"InChI=1S/C12H11AsN2O4/c16-12-7-5-11(6-8-12)15-14-10-3-1-9(2-4-10)13(17,18)19/h1-8,16H,(H2,17,18,19)"	C1=CC(=CC=C1N=NC2=CC=C(C=C2)[As](=O)(O)O)O	DJCIIHFJCDJYHI-UHFFFAOYSA-N
DG51169	3-Bromo-2-phenylquinolin-4(1h)-one	224423	3-bromo-2-phenylquinolin-4(1h)-one; NSC12825; 6639-96-9; 3-bromo-2-phenyl-1H-quinolin-4-one; NCIMech_000116; CHEMBL1964770; DTXSID40279490; ZINC8581038; CCG-35465; NSC-12825; 2-Phenyl-3-bromoquinoline-4(1H)-one; NCI60_000642	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12825	.	.	.	.	300.15	C15H10BrNO	29.1	371	4.1	18	1	2	1	"InChI=1S/C15H10BrNO/c16-13-14(10-6-2-1-3-7-10)17-12-9-5-4-8-11(12)15(13)18/h1-9H,(H,17,18)"	C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3N2)Br	XTXHUFVPTJDODX-UHFFFAOYSA-N
DG51170	4-[(6-Chloro-2-methoxyacridin-9-yl)amino]-5-methyl-2-propan-2-ylphenol	224524	MLS000737404; 5427-55-4; SMR000528125; NSC13051; cid_224524; CHEMBL1430372; BDBM51879; DTXSID40279531; HMS2862N16; ZINC4366520; NSC-13051; 4-[(6-chloro-2-methoxyacridin-9-yl)amino]-5-methyl-2-propan-2-ylphenol; 4-[(6-chloro-2-methoxy-9-acridinyl)amino]-5-methyl-2-propan-2-ylphenol; 4-[(6-chloro-2-methoxy-acridin-9-yl)amino]-2-isopropyl-5-methyl-phenol; 4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-5-methyl-2-propan-2-yl-phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13051	.	.	.	.	406.9	C24H23ClN2O2	54.4	547	6.8	29	2	4	4	"InChI=1S/C24H23ClN2O2/c1-13(2)18-12-21(14(3)9-23(18)28)27-24-17-7-5-15(25)10-22(17)26-20-8-6-16(29-4)11-19(20)24/h5-13,28H,1-4H3,(H,26,27)"	CC1=CC(=C(C=C1NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC)C(C)C)O	MIOFGYQKSYDPBN-UHFFFAOYSA-N
DG51171	3-(aminomethyl)-N-butyl-7-chloroquinolin-4-amine	224604	NSC13239; 5423-72-3; 3-(aminomethyl)-N-butyl-7-chloroquinolin-4-amine; CHEMBL187216; NCI-13239; NSC-13239; NCIStruc1_000320; NCIStruc2_001125; DTXSID00279577; NCI13239; ZINC1683338; BDBM50154454; CCG-37792; NCGC00013150; NCGC00013150-02; NCGC00096271-01; NCI60_000715; (3-Aminomethyl-7-chloro-quinolin-4-yl)-butyl-amine; N-Butyl-3-(aminomethyl)-7-chloroquinoline-4-amine; N-(3-(aminomethyl)-7-chloro-4-quinolinyl)-N-butylamine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13239	.	.	.	.	263.76	C14H18ClN3	50.9	249	3.5	18	2	3	5	"InChI=1S/C14H18ClN3/c1-2-3-6-17-14-10(8-16)9-18-13-7-11(15)4-5-12(13)14/h4-5,7,9H,2-3,6,8,16H2,1H3,(H,17,18)"	CCCCNC1=C2C=CC(=CC2=NC=C1CN)Cl	LKEMVVCLTDWQJE-UHFFFAOYSA-N
DG51172	(2-(4-Chlorophenyl)quinolin-4-yl)(piperidin-2-yl)methanol	224644	vacquinol-1; 5428-80-8; NSC13316; (2-(4-chlorophenyl)quinolin-4-yl)(piperidin-2-yl)methanol; [2-(4-chlorophenyl)quinolin-4-yl]-piperidin-2-ylmethanol; MLS000737413; (2-(4-chlorophenyl)-4-quinolinyl)(2-piperidinyl)methanol; NSC-13316; Vacquinol 1; Vacquinol-1 dihydrochloride; GTPL8373; SCHEMBL8738855; CHEMBL1393664; DTXSID10279588; EX-A743; BCP16390; MFCD29918839; NCI60_000731; SMR000528132; FT-0700326; F17392; A870497; J-690317; Q27089117; (2-(4-chlorophenyl)quinolin-4-yl) (piperidin-2-yl)methanol; Vacquinol1;Vacquinol 1;NSC 13316; NSC-13316; NSC13316;	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13316	.	.	.	.	352.9	C21H21ClN2O	45.2	426	4.1	25	2	3	3	"InChI=1S/C21H21ClN2O/c22-15-10-8-14(9-11-15)20-13-17(16-5-1-2-6-18(16)24-20)21(25)19-7-3-4-12-23-19/h1-2,5-6,8-11,13,19,21,23,25H,3-4,7,12H2"	C1CCNC(C1)C(C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)O	VKLJPGAHSLIQKH-UHFFFAOYSA-N
DG51173	"4-(1,3-Benzothiazol-2-ylsulfanyl)-6-methoxy-2-methylquinoline"	224687	"MLS000737419; NSC13380; 5429-26-5; 4-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxy-2-methylquinoline; SMR000528135; cid_224687; CHEMBL1533676; BDBM47467; DTXSID10279609; HMS2860N09; 2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-1,3-benzothiazole; NSC-13380; ZINC37868605; 2-(6-Methoxy-2-methylquinolin-4-ylthio)benzo[d]thiazole; 2-[(6-methoxy-2-methyl-4-quinolinyl)thio]-1,3-benzothiazole; 2-[(6-methoxy-2-methyl-4-quinolyl)thio]-1,3-benzothiazole; 2-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-1,3-benzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13380	.	.	.	.	338.5	C18H14N2OS2	88.6	411	5.4	23	0	5	3	"InChI=1S/C18H14N2OS2/c1-11-9-17(13-10-12(21-2)7-8-14(13)19-11)23-18-20-15-5-3-4-6-16(15)22-18/h3-10H,1-2H3"	CC1=CC(=C2C=C(C=CC2=N1)OC)SC3=NC4=CC=CC=C4S3	PGWZWDHGBCTCBR-UHFFFAOYSA-N
DG51174	"N,n-diethyl-n-(7-phenoxyquinolin-4-yl)pentane-1,4-diamine"	224741	"NSC13479; NSC-13479; 5431-05-0; DS-011773; N,n-diethyl-n-(7-phenoxyquinolin-4-yl)pentane-1,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13479	.	.	.	.	569.6	C30H39N3O8	170	649	.	41	5	11	15	"InChI=1S/C24H31N3O.C6H8O7/c1-4-27(5-2)17-9-10-19(3)26-23-15-16-25-24-18-21(13-14-22(23)24)28-20-11-7-6-8-12-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-8,11-16,18-19H,4-5,9-10,17H2,1-3H3,(H,25,26);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)"	CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)OC3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O	KZZWBYVWADVNFZ-UHFFFAOYSA-N
DG51175	"n4-[6-(Benzylsulfanyl)-7-chloroquinolin-4-yl]-n1,n1-diethylpentane-1,4-diamine"	224743	"5431-08-3; NSC13483; n4-[6-(benzylsulfanyl)-7-chloroquinolin-4-yl]-n1,n1-diethylpentane-1,4-diamine; DTXSID40279632; NSC-13483; A821143; N4-[7-chloranyl-6-(phenylmethylsulfanyl)quinolin-4-yl]-N1,N1-diethyl-pentane-1,4-diamine; N4-[7-chloro-6-(phenylmethylthio)-4-quinolinyl]-N1,N1-diethylpentane-1,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13483	.	.	.	.	442.1	C25H32ClN3S	53.5	469	6.6	30	1	4	11	"InChI=1S/C25H32ClN3S/c1-4-29(5-2)15-9-10-19(3)28-23-13-14-27-24-17-22(26)25(16-21(23)24)30-18-20-11-7-6-8-12-20/h6-8,11-14,16-17,19H,4-5,9-10,15,18H2,1-3H3,(H,27,28)"	CCN(CC)CCCC(C)NC1=C2C=C(C(=CC2=NC=C1)Cl)SCC3=CC=CC=C3	CPNZFAYIRSHTEY-UHFFFAOYSA-N
DG51176	"2-N-cyclohexyl-1-N-(6-methoxyquinolin-8-yl)butane-1,2-diamine"	224810	"MLS000737424; 2-N-cyclohexyl-1-N-(6-methoxyquinolin-8-yl)butane-1,2-diamine; 5431-62-9; SMR000528139; NSC13616; n2-cyclohexyl-n1-(6-methoxyquinolin-8-yl)butane-1,2-diamine; cid_224810; CHEMBL1570497; BDBM63813; HMS2880E15; NSC-13616; DS-002438; SR-01000763636; SR-01000763636-2; N2-cyclohexyl-N1-(6-methoxy-8-quinolinyl)butane-1,2-diamine; cyclohexyl-[1-[[(6-methoxy-8-quinolyl)amino]methyl]propyl]amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13616	.	.	.	.	327.5	C20H29N3O	46.2	359	4.5	24	2	4	7	"InChI=1S/C20H29N3O/c1-3-16(23-17-9-5-4-6-10-17)14-22-19-13-18(24-2)12-15-8-7-11-21-20(15)19/h7-8,11-13,16-17,22-23H,3-6,9-10,14H2,1-2H3"	CCC(CNC1=C2C(=CC(=C1)OC)C=CC=N2)NC3CCCCC3	BQBNRUUEFJVRMO-UHFFFAOYSA-N
DG51177	"N-(4-benzylsulfanylquinolin-8-yl)-n,n-diethyl-propane-1,3-diamine"	224815	"5431-71-0; NSC13628; DTXSID70969377; ZINC1591927; NSC-13628; DS-011591; N-(4-benzylsulfanylquinolin-8-yl)-n,n-diethyl-propane-1,3-diamine; N~3~-[4-(Benzylsulfanyl)quinolin-8-yl]-N~1~,N~1~-diethylpropane-1,3-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13628	.	.	.	.	379.6	C23H29N3S	53.5	395	5.3	27	1	4	10	"InChI=1S/C23H29N3S/c1-3-26(4-2)17-9-15-24-21-13-8-12-20-22(14-16-25-23(20)21)27-18-19-10-6-5-7-11-19/h5-8,10-14,16,24H,3-4,9,15,17-18H2,1-2H3"	CCN(CC)CCCNC1=CC=CC2=C(C=CN=C21)SCC3=CC=CC=C3	HRNGEYSSMHIOAU-UHFFFAOYSA-N
DG51178	Petcm	224859	"PETCM; 10129-56-3; alpha-(Trichloromethyl)-4-pyridineethanol; 1,1,1-trichloro-3-(pyridin-4-yl)propan-2-ol; 1,1,1-trichloro-3-pyridin-4-ylpropan-2-ol; 4-Pyridineethanol, alpha-(trichloromethyl)-; NSC13699; 1-(trichloromethyl)-2-(4-pyridine)ethanol; Cambridge id 5156091; GTPL5242; SCHEMBL4017513; CHEBI:91963; DTXSID00279678; HMS3268C16; HMS3412F10; HMS3676F10; CCG-2272; HSCI1_000204; NSC-13699; AKOS000525447; MCULE-8064133051; SMP2_000143; HY-103349; CS-0027702; FT-0636635; SR-01000597497; J-000358; SR-01000597497-1; BRD-A93477898-001-01-8; BRD-A93477898-001-02-6; BRD-A93477898-001-03-4; Q27088305; Z56764761"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13699	.	.	.	.	240.5	C8H8Cl3NO	33.1	154	2.3	13	1	2	2	"InChI=1S/C8H8Cl3NO/c9-8(10,11)7(13)5-6-1-3-12-4-2-6/h1-4,7,13H,5H2"	C1=CN=CC=C1CC(C(Cl)(Cl)Cl)O	NGTDJJKTGRNNAU-UHFFFAOYSA-N
DG51179	"N-(7-chloro-3-methylquinolin-4-yl)-2-(4-chlorophenyl)-N',N'-diethylbutane-1,4-diamine"	224873	NSC13724; NSC-13724; 5442-70-6	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13724	.	.	.	.	430.4	C24H29Cl2N3	28.2	465	6.7	29	1	3	9	"InChI=1S/C24H29Cl2N3/c1-4-29(5-2)13-12-19(18-6-8-20(25)9-7-18)16-28-24-17(3)15-27-23-14-21(26)10-11-22(23)24/h6-11,14-15,19H,4-5,12-13,16H2,1-3H3,(H,27,28)"	CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC=C1C)Cl)C3=CC=C(C=C3)Cl	BEHRYSUQMOVSKT-UHFFFAOYSA-N
DG51180	carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester	224935	"S-[2-(2-methoxyanilino)-2-oxoethyl] carbamothioate; carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester; 7451-60-7; MLS000533449; SMR000140887; S-{2-[(2-methoxyphenyl)amino]-2-oxoethyl} thiocarbamate; 5947-53-5; NSC13801; CBMicro_009633; o-Acetanisidide, carbamate; cid_224935; CHEMBL1367909; SCHEMBL12127423; BDBM44876; ZINC63671; DTXSID60279715; CHEBI:112163; HMS2171L12; HMS3313O22; SMSF0010461; NSC-13801; STK795373; 2-Mercapto-o-acetanisidide, carbamate; AKOS000348313; CB12447; MCULE-3806373047; NCI60_000861; BIM-0009792.P001; EU-0018101; SR-01000516424; SR-01000516424-1; Q27192258; thiocarbamic acid S-[2-keto-2-(o-anisidino)ethyl] ester; Carbamic acid, S-[(o-methoxyphenylcarbamoyl)methyl] ester; S-{2-[(2-methoxyphenyl)amino]-2-oxoethyl} carbamothioate; 1-({2-[(aminocarbonyl)sulfanyl]acetyl}amino)-2-methoxybenzene; Carbamic acid (8CI), S-ester with 2-mercapto-o-acetanisidide; S-[2-[(2-methoxyphenyl)amino]-2-oxoethyl] aminomethanethioate; S-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] carbamothioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13801	.	.	.	.	240.28	C10H12N2O3S	107	260	1	16	2	4	5	"InChI=1S/C10H12N2O3S/c1-15-8-5-3-2-4-7(8)12-9(13)6-16-10(11)14/h2-5H,6H2,1H3,(H2,11,14)(H,12,13)"	COC1=CC=CC=C1NC(=O)CSC(=O)N	WZDOMPZYPBKCOE-UHFFFAOYSA-N
DG51181	3-(1-methyl-5-((1-methyl-5-(3-pyridinyl)-1H-pyrrol-2-yl)thio)-1H-pyrrol-2-yl)pyridine	224958	NSC13831; NSC-13831; Probes1_000354; Probes2_000021; NCIStruc1_001216; NCIStruc2_000712; CHEMBL1408138; NCI13831; CCG-36689; NCGC00013172; ZINC37868639; 3-(1-methyl-5-((1-methyl-5-(3-pyridinyl)-1H-pyrrol-2-yl)thio)-1H-pyrrol-2-yl)pyridine; NCGC00013172-02; NCGC00096293-01; NCI60_000863	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13831	.	.	.	.	346.5	C20H18N4S	60.9	396	3.3	25	0	3	4	"InChI=1S/C20H18N4S/c1-23-17(15-5-3-11-21-13-15)7-9-19(23)25-20-10-8-18(24(20)2)16-6-4-12-22-14-16/h3-14H,1-2H3"	CN1C(=CC=C1SC2=CC=C(N2C)C3=CN=CC=C3)C4=CN=CC=C4	KJMDINXKZZGZAN-UHFFFAOYSA-N
DG51182	2-[Hydroxy-(1-hydroxynaphthalen-2-yl)-phenyl-methyl]naphthalen-1-ol	224978	NSC13984; NSC-13984; NCIStruc1_001005; NCIStruc2_000797; CHEMBL1367656; SCHEMBL13856943; NCI13984; ZINC3953857; 2-[hydroxy-(1-hydroxynaphthalen-2-yl)-phenyl-methyl]naphthalen-1-ol; CCG-37050; NCGC00013176; NCGC00013176-02; NCGC00096297-01; NCI60_000883	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13984	.	.	.	.	392.4	C27H20O3	60.7	533	6.6	30	3	3	3	"InChI=1S/C27H20O3/c28-25-21-12-6-4-8-18(21)14-16-23(25)27(30,20-10-2-1-3-11-20)24-17-15-19-9-5-7-13-22(19)26(24)29/h1-17,28-30H"	C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C=C2)O)(C4=C(C5=CC=CC=C5C=C4)O)O	GFHLSVFXRWFTIQ-UHFFFAOYSA-N
DG51183	"(2,3,4,5-Tetrachloro-2,4-cyclopentadienylidene)-(p-nitrophenyl)methane"	225001	"63161-03-5; (2,3,4,5-Tetrachloro-2,4-cyclopentadienylidene)-(p-nitrophenyl)methane; NSC14034; DTXSID20279751; ZINC1592111; NSC-14034; (4-nitro-phenyl)-tetrachlorocyclopentadienylidene-methane; 1-Nitro-4-[(2,3,4,5-tetrachloro-2,4-cyclopentadienylidene)methyl]benzene; 1-Nitro-4-[(2,3,4,5-tetrachloro-2,4-cyclopentadien-1-ylidene)methyl]benzene #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14034	.	.	.	.	337	C12H5Cl4NO2	45.8	470	4.7	19	0	2	1	InChI=1S/C12H5Cl4NO2/c13-9-8(10(14)12(16)11(9)15)5-6-1-3-7(4-2-6)17(18)19/h1-5H	C1=CC(=CC=C1C=C2C(=C(C(=C2Cl)Cl)Cl)Cl)[N+](=O)[O-]	IMKHPTXYFMGMDE-UHFFFAOYSA-N
DG51184	"[5-(4-Methoxybenzoyl)-2,6-dioxa-1,3-diazabicyclo[3.1.0]hex-3-en-4-yl]-(4-methoxyphenyl)methanone"	225006	"NSC14040; CHEMBL1990840; NSC-14040; [5-(4-methoxybenzoyl)-2,6-dioxa-1,3-diazabicyclo[3.1.0]hex-3-en-4-yl]-(4-methoxyphenyl)methanone; NCI60_000893; Methanone, 2,6-dioxa-1,3-diazabicyclo[3.1.0]hex-3-ene-4,5-diylbis[(4-methoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14040	.	.	.	.	354.3	C18H14N2O6	89.7	607	3	26	0	8	6	"InChI=1S/C18H14N2O6/c1-23-13-7-3-11(4-8-13)15(21)16-18(20(25-18)26-19-16)17(22)12-5-9-14(24-2)10-6-12/h3-10H,1-2H3"	COC1=CC=C(C=C1)C(=O)C2=NON3C2(O3)C(=O)C4=CC=C(C=C4)OC	FVQGMXXUZFHDKN-UHFFFAOYSA-N
DG51185	"1,3,7-Trimethyl-8-(2-methylpropoxy)purine-2,6-dione"	225223	MLS000737466; 5438-76-6; NSC14380; CHEMBL1322194; DTXSID20279872; HMS2882L19; ZINC1652969; NSC-14380; SMR000528152	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14380	.	.	.	.	266.3	C12H18N4O3	67.7	387	1.6	19	0	4	3	"InChI=1S/C12H18N4O3/c1-7(2)6-19-11-13-9-8(14(11)3)10(17)16(5)12(18)15(9)4/h7H,6H2,1-5H3"	CC(C)COC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C	AECKNGLDPIWXEE-UHFFFAOYSA-N
DG51186	10-Benzylideneanthracen-9(10h)-one	225328	"10-benzylideneanthracen-9(10h)-one; 10-benzylideneanthracen-9-one; 14343-92-1; CHEMBL267340; 10-benzylidene-9(10H)-anthracenone; 9-BENZYLIDENEANTHRONE; Benzylidenanthron; benzylideneanthrone; NSC14548; 9(10H)-Anthracenone,10-(phenylmethylene)-; Oprea1_810512; SCHEMBL4726286; DTXSID20279913; ZINC1020195; BDBM50474299; NSC-14548; STL308344; 10-Benzylidene-10H-anthracen-9-one; AKOS003661037; MCULE-9094627951; DS-009302; AD-310/30361008"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14548	.	.	.	.	282.3	C21H14O	17.1	415	5	22	0	1	1	InChI=1S/C21H14O/c22-21-18-12-6-4-10-16(18)20(14-15-8-2-1-3-9-15)17-11-5-7-13-19(17)21/h1-14H	C1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42	ZBDXDMJVRUZKDX-UHFFFAOYSA-N
DG51187	4-[(Carboxymethyl)amino]benzoic acid	225483	"4-[(carboxymethyl)amino]benzoic acid; 5698-54-4; 4-(carboxymethylamino)benzoic acid; NSC14973; 4-(Carboxymethyl-amino)-benzoic acid; N-(p-Carboxyphenyl)glycine; 4-((carboxymethyl)amino)benzoic acid; NSC-14973; Benzoic acid, 4-[(carboxymethyl)amino]-; ChemDiv3_000562; N-(4-Carboxyphenyl)glycine; NCIStruc1_000045; NCIStruc2_000135; Oprea1_021431; Oprea1_809920; SCHEMBL400499; CHEMBL286270; DTXSID40972459; HMS1474J12; ZINC230715; NCI14973; CCG-37615; NCGC00013193; AKOS001604421; MCULE-8996993209; NCGC00013193-02; NCGC00013193-03; NCGC00096314-01; NCGC00096314-02; NCI60_001032; B6257; EN300-45495; AG-690/36951091; SR-01000401795; SR-01000401795-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14973	.	.	.	.	195.17	C9H9NO4	86.6	221	0.1	14	3	5	4	"InChI=1S/C9H9NO4/c11-8(12)5-10-7-3-1-6(2-4-7)9(13)14/h1-4,10H,5H2,(H,11,12)(H,13,14)"	C1=CC(=CC=C1C(=O)O)NCC(=O)O	YJEYSNOXMPDLJC-UHFFFAOYSA-N
DG51188	Glaucarubol	225484	GLAUCARUBOL; NSC14974; MLS002702819; 1448-22-2; CHEMBL1719883; DTXSID80279979; NSC-14974; NCI60_001033; SMR001566647	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14974	.	.	.	.	396.4	C20H28O8	137	767	-1.2	28	5	8	0	"InChI=1S/C20H28O8/c1-7-4-10(21)15(24)18(3)9(7)5-11-19-6-27-20(26,17(18)19)14(23)8(2)12(19)13(22)16(25)28-11/h4,8-15,17,21-24,26H,5-6H2,1-3H3"	CC1C2C(C(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(C5O)O)C)C)O)O	YJIBLZYQKYKXFP-UHFFFAOYSA-N
DG51189	NSC14975	225485	"[(1S,5R,6R,7S,8R,11R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (2S)-2-hydroxy-2-methylbutanoate; NSC14975"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14975	.	.	.	.	496.5	C25H36O10	163	981	-0.2	35	5	10	4	"InChI=1S/C25H36O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-18,20,26-28,31-32H,6,8-9H2,1-5H3/t11-,12+,13+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25 /m1/s1"	CC[C@@](C)(C(=O)O[C@@H]1[C@H]2[C@H]([C@H](C3([C@H]4[C@@]2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H]([C@H](C=C5C)O)O)C)OC1=O)O)O)C)O	LZKVXMYVBSNXER-JYUFQXQPSA-N
DG51190	"D-Arabino-hexose, 2-deoxy-"	225612	"154-17-6; 1949-89-9; D-Arabino-hexose, 2-deoxy-; D-Glucose, 2-deoxy-; 2-Deoxy-D-arabino-hexose;D-Arabino-2-deoxyhexose; 3,4,5,6-tetrahydroxyhexanal; MFCD00151328; 2-Deoxyhexose #; 2-Desoxy-D-galactose; 2-Deoxyglucose-1-3H; SCHEMBL200714; WLN: VH1YQYQYQ1Q-D-ARABINO; AKOS024386266; MCULE-4078609150; SB45112; SY031898; DB-013800; FT-0601010; FT-0612148; FT-0612149; FT-0770789; CAE9B3D5-D69C-4429-B799-5FEDF6758619"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15193	.	.	.	.	164.16	C6H12O5	98	116	-2.9	11	4	5	5	"InChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2"	C(C=O)C(C(C(CO)O)O)O	VRYALKFFQXWPIH-UHFFFAOYSA-N
DG51191	"9H-Carbazole, 1,8-dichloro-3,6-dinitro-"	225968	"104338-60-5; 1,8-dichloro-3,6-dinitrocarbazole; 9H-Carbazole, 1,8-dichloro-3,6-dinitro-; NSC15886; SCHEMBL9061681; DTXSID40280203; ZINC1733715; NSC-15886; 1,8-dichloro-3,6-dinitro-carbazole; Q2806562"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15886	.	.	.	.	326.09	C12H5Cl2N3O4	107	415	4.3	21	1	4	0	"InChI=1S/C12H5Cl2N3O4/c13-9-3-5(16(18)19)1-7-8-2-6(17(20)21)4-10(14)12(8)15-11(7)9/h1-4,15H"	C1=C(C=C(C2=C1C3=C(N2)C(=CC(=C3)[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]	YNBOZNTWWGDDLF-UHFFFAOYSA-N
DG51192	4-methyl-N-(2-nitrophenyl)sulfanylaniline	226033	4837-32-5; 4-methyl-N-(2-nitrophenyl)sulfanylaniline; NSC16034; CBDivE_011978; DTXSID30280232; ZINC123629; NSC-16034; AKOS001484963; MCULE-1865734249; 1-{[(4-methylphenyl)amino]thio}-2-nitrobenzene; AB00076264-01; SR-01000404364; SR-01000404364-1; N-(4-methylphenyl)-S-(2-nitrophenyl)thiohydroxylamine; S-(2-NITRO-PHENYL)-N-P-TOLYL-THIOHYDROXYLAMINE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	16034	.	.	.	.	260.31	C13H12N2O2S	83.2	275	4.1	18	1	4	3	"InChI=1S/C13H12N2O2S/c1-10-6-8-11(9-7-10)14-18-13-5-3-2-4-12(13)15(16)17/h2-9,14H,1H3"	CC1=CC=C(C=C1)NSC2=CC=CC=C2[N+](=O)[O-]	DUOCQDQMSWPLKI-UHFFFAOYSA-N
DG51193	9-(Diethylamino)-7-phenylbenzo(a)phenazin-5(7H)-one	226107	82014-22-0; NSC16219; UNII-OAM5T44TSB; OAM5T44TSB; 9-(Diethylamino)-7-phenylbenzo(a)phenazin-5(7H)-one; 9-(Diethylamino)-7-phenylbenzo[a]phenazin-5(7H)-one; NSC 16219; DTXSID00231514; ZINC4366947; NSC-16219; 9-(diethylamino)-7-phenyl-benzo[a]phenazin-5-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	16219	.	.	.	.	393.5	C26H23N3O	35.9	703	5.5	30	0	4	4	"InChI=1S/C26H23N3O/c1-3-28(4-2)19-14-15-22-23(16-19)29(18-10-6-5-7-11-18)24-17-25(30)20-12-8-9-13-21(20)26(24)27-22/h5-17H,3-4H2,1-2H3"	CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)C=C3N2C5=CC=CC=C5	RRPZIPGTVAQGNK-UHFFFAOYSA-N
DG51194	2-Nitro-1-phenylpropan-1-ol	226118	2-nitro-1-phenylpropan-1-ol; 6343-57-3; 2-nitro-1-phenyl-1-propanol; 1-phenyl-2-nitro-1-propanol; NSC16258; 1-Phenyl-2-nitro-propanol; SCHEMBL1357640; CHEMBL1979986; DTXSID60280285; NSC-16258; AKOS024325062; MCULE-5689771313	.	.	Investigative Drug(s)	Investigative	Small molecular drug	16258	.	.	.	.	181.19	C9H11NO3	66	172	1.3	13	1	3	2	"InChI=1S/C9H11NO3/c1-7(10(12)13)9(11)8-5-3-2-4-6-8/h2-7,9,11H,1H3"	CC(C(C1=CC=CC=C1)O)[N+](=O)[O-]	JGYVPZIKTZGAAD-UHFFFAOYSA-N
DG51195	"1-((3,4-Dimethoxybenzylidene)amino)-2-naphthol"	226514	"NSC17061; 7250-00-2; NSC-17061; 1-((3,4-dimethoxybenzylidene)amino)-2-naphthol; NCIStruc1_000979; NCIStruc2_000840; CHEMBL1333454; CHEMBL1978044; SCHEMBL14286190; DTXSID90280475; NCI17061; CCG-36793; NCGC00013218; ZINC22910912; ZINC100135776; NCGC00013218-02; NCGC00096339-01; NCI60_001378; 1-(3,4-Dimethoxybenzylideneamino)-2-naphthol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17061	.	.	.	.	307.3	C19H17NO3	51	400	4.1	23	1	4	4	"InChI=1S/C19H17NO3/c1-22-17-10-7-13(11-18(17)23-2)12-20-19-15-6-4-3-5-14(15)8-9-16(19)21/h3-12,21H,1-2H3"	COC1=C(C=C(C=C1)C=NC2=C(C=CC3=CC=CC=C32)O)OC	WLADIRHKJOTLNV-UHFFFAOYSA-N
DG51196	(2-Benzamidophenyl) benzoate	226518	MLS002638522; 6296-59-9; (2-benzamidophenyl) benzoate; NSC17065; 2-benzamidophenyl benzoate; (2-benzamidophenyl)benzoate; CHEMBL1897180; SCHEMBL16685068; DTXSID70280478; ZINC1747944; NSC-17065; AKOS024362846; Benzoic acid 2-benzoylaminophenyl ester; MCULE-3917357784; SMR001547996	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17065	.	.	.	.	317.3	C20H15NO3	55.4	425	4.2	24	1	3	5	"InChI=1S/C20H15NO3/c22-19(15-9-3-1-4-10-15)21-17-13-7-8-14-18(17)24-20(23)16-11-5-2-6-12-16/h1-14H,(H,21,22)"	C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC(=O)C3=CC=CC=C3	QGOZYNURVSRBIG-UHFFFAOYSA-N
DG51197	NSC17245	226609	"[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] cyclopentanecarboxylate; NSC17245; NSC-17245; CHEMBL1975400; ZINC4683363; NCI60_001392"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17245	.	.	.	.	458.6	C27H38O6	101	887	3.7	33	2	6	5	"InChI=1S/C27H38O6/c1-25-11-9-18(28)13-17(25)7-8-19-20-10-12-27(32,26(20,2)14-21(29)23(19)25)22(30)15-33-24(31)16-5-3-4-6-16/h13,16,19-21,23,29,32H,3-12,14-15H2,1-2H3/t19-,20-,21-,23+,25-,26-,27-/m0/s1"	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)C5CCCC5)O)C)O	RXDVZAPLJRNAQU-KJKDQFDUSA-N
DG51198	"Glutarimide,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, benzoylacetate"	226619	"MLS002638531; U 7668; NSC17257; ZINC4683379; NSC-17257; Glutarimide,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, benzoyl-acetate; Glutarimide,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, benzoylacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17257	.	.	.	.	427.5	C24H29NO6	107	710	2.6	31	1	6	8	"InChI=1S/C24H29NO6/c1-14-8-15(2)24(30)18(9-14)20(10-16-11-21(27)25-22(28)12-16)31-23(29)13-19(26)17-6-4-3-5-7-17/h3-7,14-16,18,20H,8-13H2,1-2H3,(H,25,27,28)/t14-,15-,18-,20+/m0/s1"	C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)OC(=O)CC(=O)C3=CC=CC=C3)C	BCMABKOQTPATAU-BPQOCRPUSA-N
DG51199	"1,3-Propanedione, 1-(3-pyridinyl)-3-(2,4,6-trimethyl-phenyl)-"	226783	"MLS002638560; NSC17551; CHEMBL1877472; HMS3079B21; NSC-17551; ZINC100083975; SMR001548033; 1, 1-(3-pyridinyl)-3-(2,4,6-trimethyl- phenyl)-; 1,3-Propanedione, 1-(3-pyridinyl)-3-(2,4,6-trimethyl- phenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17551	.	.	.	.	267.32	C17H17NO2	47	354	3.1	20	0	3	4	"InChI=1S/C17H17NO2/c1-11-7-12(2)17(13(3)8-11)16(20)9-15(19)14-5-4-6-18-10-14/h4-8,10H,9H2,1-3H3"	CC1=CC(=C(C(=C1)C)C(=O)CC(=O)C2=CN=CC=C2)C	LVGCWHFIWIHBKH-UHFFFAOYSA-N
DG51200	"5,5-dimethyl-2-pentadecyl-3-propan-2-yl-4H-imidazole"	226857	NSC17744; SCHEMBL10491944; NSC-17744; ZINC104326505	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17744	.	.	.	.	350.6	C23H46N2	15.6	357	8.1	25	0	1	15	"InChI=1S/C23H46N2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-24-23(4,5)20-25(22)21(2)3/h21H,6-20H2,1-5H3"	CCCCCCCCCCCCCCCC1=NC(CN1C(C)C)(C)C	WCOJLACCZHOZKF-UHFFFAOYSA-N
DG51201	"2-(2-heptadecyl-5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropan-1-ol"	226869	NSC17762; NSC-17762; ZINC104326610	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17762	.	.	.	.	408.7	C26H52N2O	35.8	442	8.3	29	1	2	18	"InChI=1S/C26H52N2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-25(2,3)22-28(24)26(4,5)23-29/h29H,6-23H2,1-5H3"	CCCCCCCCCCCCCCCCCC1=NC(CN1C(C)(C)CO)(C)C	WVQBZUKUDNIVMK-UHFFFAOYSA-N
DG51202	"1-Ethoxy-5-fluoro-2,4-dinitrobenzene"	227098	NSC18286; SCHEMBL8405075; ZINC1769046; NSC-18286	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18286	.	.	.	.	230.15	C8H7FN2O5	101	277	2	16	0	6	2	"InChI=1S/C8H7FN2O5/c1-2-16-8-3-5(9)6(10(12)13)4-7(8)11(14)15/h3-4H,2H2,1H3"	CCOC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F	HPPIQFLOPHCFBP-UHFFFAOYSA-N
DG51203	"Fluoren-9-one, 2-[bis(p-bromobenzyl)amino]-"	227150	"NSC18451; NSC-18451; 96176-12-4; 2-(bis(4-bromobenzyl)amino)-9H-fluoren-9-one; Fluoren-9-one, 2-[bis(p-bromobenzyl)amino]-; NCIStruc1_000363; NCIStruc2_001090; CHEMBL1476952; DTXSID80280742; NCI18451; ZINC1769251; CCG-37490; NCGC00013241; NCGC00013241-02; NCGC00096360-01; NCI60_001536"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18451	.	.	.	.	533.3	C27H19Br2NO	20.3	586	8.1	31	0	2	5	"InChI=1S/C27H19Br2NO/c28-20-9-5-18(6-10-20)16-30(17-19-7-11-21(29)12-8-19)22-13-14-24-23-3-1-2-4-25(23)27(31)26(24)15-22/h1-15H,16-17H2"	C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)N(CC4=CC=C(C=C4)Br)CC5=CC=C(C=C5)Br	ISUTUHVJGVOEHQ-UHFFFAOYSA-N
DG51204	n-(7-Nitro-9h-fluoren-2-yl)formamide	227158	"MLS002638596; 6583-71-7; n-(7-nitro-9h-fluoren-2-yl)formamide; 2-FORMAMIDO-7-NITROFLUORENE; NSC18460; CHEMBL1887248; DTXSID10984322; HMS3095E24; ZINC1769260; NSC-18460; AKOS024332804; Formamide, N-(7-nitrofluoren-2-yl)-; MCULE-3855794593; SMR001548068; (7-Nitro-9H-fluoren-2-yl)methanimidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18460	.	.	.	.	254.24	C14H10N2O3	74.9	368	3.1	19	1	3	1	"InChI=1S/C14H10N2O3/c17-8-15-11-1-3-13-9(6-11)5-10-7-12(16(18)19)2-4-14(10)13/h1-4,6-8H,5H2,(H,15,17)"	C1C2=C(C=CC(=C2)NC=O)C3=C1C=C(C=C3)[N+](=O)[O-]	NNVUDKLVHMGGOQ-UHFFFAOYSA-N
DG51205	2-[4-[4-(Diaminomethylideneamino)phenyl]phenyl]guanidine;sulfuric acid	227281	"NSC18758; 6966-25-2; NSC-18758; NCGC00013245; Sulfuric acid compound with N-(4'-((amino(imino)methyl)amino)[1,1'-biphenyl]-4-yl)guanidine (1:1); CHEMBL1741645; DTXSID60280806; NCI18758; CCG-36877; NCGC00096364-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18758	.	.	.	.	366.4	C14H18N6O4S	212	399	.	25	6	6	3	"InChI=1S/C14H16N6.H2O4S/c15-13(16)19-11-5-1-9(2-6-11)10-3-7-12(8-4-10)20-14(17)18;1-5(2,3)4/h1-8H,(H4,15,16,19)(H4,17,18,20);(H2,1,2,3,4)"	C1=CC(=CC=C1C2=CC=C(C=C2)N=C(N)N)N=C(N)N.OS(=O)(=O)O	IYKWCEFBGQSXBK-UHFFFAOYSA-N
DG51206	"(2-Oxido-1,2,5-oxadiazole-3,4-diyl)bis(1-benzothien-3-ylmethanone)"	227331	"NSC18877; (2-Oxido-1,2,5-oxadiazole-3,4-diyl)bis(1-benzothien-3-ylmethanone); 7146-33-0; NSC 18877; NCIStruc1_001099; NCIStruc2_000975; 3,2,5-oxadiazole 2-oxide; SCHEMBL8738486; CHEMBL1964282; DTXSID20221674; ZINC1561925; NCI60_001570; 3,4-Bis(benzo[b]thiophene-3-ylcarbonyl)furazan 2-oxide; [4-(benzothiophene-3-carbonyl)-2-oxido-1-oxa-5-aza-2-azoniacyclopenta-2,4-dien-3-yl]-benzothiophen-3-yl-methanone; [4-(benzothiophene-3-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(benzothiophen-3-yl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18877	.	.	.	.	406.4	C20H10N2O4S2	142	635	5.4	28	0	7	4	InChI=1S/C20H10N2O4S2/c23-19(13-9-27-15-7-3-1-5-11(13)15)17-18(22(25)26-21-17)20(24)14-10-28-16-8-4-2-6-12(14)16/h1-10H	C1=CC=C2C(=C1)C(=CS2)C(=O)C3=NO[N+](=C3C(=O)C4=CSC5=CC=CC=C54)[O-]	VGVCAZDGILAXDP-UHFFFAOYSA-N
DG51207	Phenoxathiine-4-carbohydrazide	227334	5453-75-8; phenoxathiine-4-carbohydrazide; NSC18880; CHEMBL2000349; DTXSID50280835; ZINC1561928; NSC-18880; NCI60_001571	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18880	.	.	.	.	258.3	C13H10N2O2S	89.6	326	2.1	18	2	4	1	"InChI=1S/C13H10N2O2S/c14-15-13(16)8-4-3-7-11-12(8)17-9-5-1-2-6-10(9)18-11/h1-7H,14H2,(H,15,16)"	C1=CC=C2C(=C1)OC3=C(C=CC=C3S2)C(=O)NN	XHWZCJKPJAVTSA-UHFFFAOYSA-N
DG51208	"2-(12H-benzo[a]phenothiazin-12-yl)-N,N-diethylethanamine"	227337	"NSC18883; MLS000737844; NSC-18883; NCIStruc1_000969; NCIStruc2_001275; CHEMBL1485000; HMS2856F08; NCI18883; ZINC1561931; CCG-36819; NCGC00013250; NCGC00013250-02; NCGC00096369-01; NCI60_001572; SMR000528184; 2-(12H-benzo[a]phenothiazin-12-yl)-N,N-diethylethanamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18883	.	.	.	.	348.5	C22H24N2S	31.8	424	5.8	25	0	3	5	"InChI=1S/C22H24N2S/c1-3-23(4-2)15-16-24-19-11-7-8-12-20(19)25-21-14-13-17-9-5-6-10-18(17)22(21)24/h5-14H,3-4,15-16H2,1-2H3"	CCN(CC)CCN1C2=CC=CC=C2SC3=C1C4=CC=CC=C4C=C3	VKJJBAOUCOSHBQ-UHFFFAOYSA-N
DG51209	"3-(12H-benzo[a]phenothiazin-12-yl)-N,N-dimethyl-1-propanamine"	227345	"NSC18891; MLS002702823; NSC-18891; 5453-77-0; 3-(12H-benzo[a]phenothiazin-12-yl)-N,N-dimethyl-1-propanamine; NCIMech_000665; NCIStruc1_001139; NCIStruc2_001195; CHEMBL1446990; DTXSID70969751; 3-(12H-benzo[a]phenothiazin-12-yl)-N,N-dimethylpropan-1-amine; NCI18891; ZINC1561939; CCG-35828; CCG-36842; NCGC00013251; NCGC00013251-02; NCGC00096370-01; NCI60_001573; SMR001566650"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18891	.	.	.	.	334.5	C21H22N2S	31.8	413	5.8	24	0	3	4	"InChI=1S/C21H22N2S/c1-22(2)14-7-15-23-18-10-5-6-11-19(18)24-20-13-12-16-8-3-4-9-17(16)21(20)23/h3-6,8-13H,7,14-15H2,1-2H3"	CN(C)CCCN1C2=CC=CC=C2SC3=C1C4=CC=CC=C4C=C3	VGMOECBHITYGPM-UHFFFAOYSA-N
DG51210	Gossypol acetic acid	227456	"Gossypol acetic acid; gossypol-Acetic acid; 12542-36-8; Gossypol acetate; Acetate gossypol; 866541-93-7; Gossypol (acetic acid); AT101; (-)-Gossypol acetic acid; GOSSYPOL-ACETIC ACID COMPLEX; 5453-04-3; (R)-Gossypol acetic acid; AT-101 (acetic acid); (S)-Gossypol (acetic acid); Gossypol acetic acid clathrate; 1189561-66-7; NSC 19048; MLS000028630; MLS002702979; (R)-(-)-Gossypol acetic acid; (S)-Gossypol acetic acid; NSC19048; acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde; SMR000058743; 12542-36-8 (ACETIC ACID); acetic acid compound with (S)-1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde (1:1); (+/-)-Gossypol-acetic acid;BL 193 (acetic acid); 115038-46-5; NSC-19048; Gossypol acetate, (R)-; UNII-U9GNI6VT5N; Gossypol acetic acid, R-; R-(-)-gossypol acetic acid; Gossypol acetic acid, (R)-; Acetate-gossypol; Aceticacidgossypol; Gossypol xAcetate; Gossypol AcOH Salt; AT101 acetate; GOSSYPOLACETATE; AT 101 acetic acid; Opera_ID_1014; U9GNI6VT5N; SCHEMBL352576; (R)-Gossypol acetic acid salt; (S)-Gossypol acetic acid salt; CHEMBL1516388; HMS500I15; DTXSID90921593; HMS3651H13; BCP09006; BCP24040; C32H34O10; CCG-39212; HY-15464A; MFCD00058385; NSC727858; s2303; s2812; AKOS022188380; AT-101 (AT101); NSC-727858; NCGC00178279-01; (2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-(R)-5,5'-bis(1-methylethyl)-, (2R)-, compd. with acetic acid (1:1); AC-34098; AS-15487; HY-17510; P562; DB-081879; FT-0686636; FT-0768953; N2134; SW197103-3; A13578; A14795; A16323; ( inverted exclamation markA)-Gossypol-acetic acid; 542G368; A900030; A920161; J-005228; (+/-)-Gossypol-acetic acid, analytical standard, crystalline complex consisting of equimolar quantities of gossypol and acetic acid, ~95%; 1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarbaldehyde - acetic acid (1:1); 732279-26-4; acetic acid compound with 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthyl-8,8'-dicarbaldehyde (1:1); Acetic acid--1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)[2,2'-binaphthalene]-8,8'-dicarbaldehyde (1/1); AT 101 acetic acid; AT101 acetic acid;AT-101 acetic acid; (-)-Gossypol acetic acid; (R)-Gossypol acetic acid; Gossypol acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19048	.	.	.	.	578.6	C32H34O10	193	811	.	42	7	10	5	"InChI=1S/C30H30O8.C2H4O2/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36;1-2(3)4/h7-12,33-38H,1-6H3;1H3,(H,3,4)"	CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O.CC(=O)O	NIOHNDKHQHVLKA-UHFFFAOYSA-N
DG51211	"6-chloro-1-methyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine"	227530	"NSC19139; 6958-86-7; 6-chloro-1-methyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine; MLS002638676; NSC-19139; 6-chloro-1-methyl-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine; NCIStruc1_000379; NCIStruc2_000459; CHEMBL1452389; SCHEMBL13100622; BDBM32630; DTXSID20280943; HMS3095O20; NCI19139; ZINC1562380; CCG-37997; NCGC00013256; NCGC00013256-02; NCGC00096375-01; NCI60_001603; SMR001548146; A842338; 6-chloranyl-1-methyl-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine; 6-chloro-1-methyl-N-(2-phenylethyl)-4-pyrazolo[3,4-d]pyrimidinamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19139	.	.	.	.	287.75	C14H14ClN5	55.6	310	3.4	20	1	4	4	"InChI=1S/C14H14ClN5/c1-20-13-11(9-17-20)12(18-14(15)19-13)16-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,18,19)"	CN1C2=NC(=NC(=C2C=N1)NCCC3=CC=CC=C3)Cl	KRNAPVRIULRUAL-UHFFFAOYSA-N
DG51212	"(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate"	227681	"MIRA-1; 72835-26-8; NSC19630; 1h-pyrrole-2,5-dione, 1-[(1-oxopropoxy)methyl]-; (2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate; N-propionyloxymethyl-maleimide; 1-[(1-OXOPROPOXY)METHYL]-1H-PYRROLE-2,5-DIONE; CHEMBL1374426; NSC-19630; N-(Propionyloxymethyl)maleimide; NSC 19630; (2,5-dioxopyrrol-1-yl)methyl propanoate; NCIStruc1_000245; NCIStruc2_000173; SCHEMBL1271868; DTXSID90280990; HMS3413L06; HMS3677L06; NCI19630; XCA83526; ZINC1868509; BDBM50044626; CCG-37541; NCGC00013261; NSC758772; AKOS024457583; WRN Helicase Inhibitor, NSC 19630; NSC-758772; NCGC00013261-02; NCGC00096380-01; BS-45665; NCI60_001640; E74933; (2,5-dihydro-1H-pyrrol-1-yl)methyl propionate; 1-[(1-Oxopropoxy)methyl]-1H-pyrrole 2,5-dione; MIRA-1; WRN Helicase Inhibitor, NSC 19630 - CAS 72835-26-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19630	.	.	.	.	183.16	C8H9NO4	63.7	264	-0.1	13	0	4	4	"InChI=1S/C8H9NO4/c1-2-8(12)13-5-9-6(10)3-4-7(9)11/h3-4H,2,5H2,1H3"	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N
DG51213	"2,3,5,6-Tetramethylpyrazine 1,4-dioxide"	227746	"MLS002638705; 22978-84-3; 2,3,5,6-tetramethylpyrazine 1,4-dioxide; NSC19727; 2,3,5,6-tetramethyl-4-oxidopyrazin-1-ium 1-oxide; CHEMBL1873824; SCHEMBL14344208; DTXSID60281015; HMS3078E17; ZINC1842822; NSC-19727; SMR001548175; 2,3,5,6-tetramethylpyrazine N,N'-dioxide; A818196; 2,3,5,6-tetramethyl-1,4-dioxidopyrazine-1,4-diium; 2,3,5,6-tetramethyl-4-oxidanidyl-pyrazin-1-ium 1-oxide; TW-Pyr-bis-N-oxide 2,3,5,6-Me4-pyrazine-1,4-dioxideC8 H12 N2 O2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19727	.	.	.	.	168.19	C8H12N2O2	46.4	247	0	12	0	3	0	InChI=1S/C8H12N2O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3	CC1=C([N+](=O)C(=C(N1[O-])C)C)C	JGDKFQZZRSSDPH-UHFFFAOYSA-N
DG51214	"2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid"	227754	"2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid; 3588-64-5; 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid; NSC19760; 38229-08-2; MFCD00023056; 2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanoic acid; NSC-19760; N-phthaloyl phenylalanine; ChemDiv2_000002; CBKinase1_000078; CBKinase1_012478; Cambridge id 5108471; Oprea1_238622; Oprea1_554172; CBDivE_002612; CBDivE_003042; MLS000530140; SCHEMBL478614; 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-propanoic acid; CHEMBL262870; DTXSID10281020; HMS1369A02; HMS2368H16; ALBB-017693; N-PHTHALOYL-DL-PHENYLALANINE; 2-(1,3-Dioxo-2,3-Dihydro-1H-Isoindol-2-Yl)-3-Phenylpropanoic Acid; 2-phthalimido-3-phenylpropionic acid; 2084AE; STK032198; AKOS000200590; AKOS016039886; MCULE-7210664664; LS-05839; NCI60_001645; SMR000135118; EU-0000242; FT-0696199; EN300-16933; alpha-Benzyl-1,3-dioxoisoindoline-2-acetic acid; AE-641/02530020; SR-01000390313; SR-01000390313-1; BRD-A77469519-001-01-4; F1265-0123; 2H-isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-alpha-(phenylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19760	.	.	.	.	295.29	C17H13NO4	74.7	445	2.5	22	1	4	4	"InChI=1S/C17H13NO4/c19-15-12-8-4-5-9-13(12)16(20)18(15)14(17(21)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,21,22)"	C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O	VAYRSTHMTWUHGE-UHFFFAOYSA-N
DG51215	Tenulin	227830	"Tenulin; NSC19942; CHEBI:9441; CHEMBL490324; (2aR,4aS,6R,6aR,9aR,9bR,9cR)-2-hydroxy-2,2a,6,9a-tetramethyl-2a,4a,5,6,6a,9a,9b,9c-octahydro-2H-1,4-dioxadicyclopenta(cd,f)azulene-3,9-dione; 55780-22-8; 19202-92-7; (2AR,4aS,6R,6aR,9aR,9bR,9cR)-2-hydroxy-2,2a,6,9a-tetramethyl-2a,4a,5,6,6a,9a,9b,9c-octahydro-2H-1,4-dioxadicyclopenta[cd,f]azulene-3,9-dione; DTXSID60971161; BDBM50250368; NSC 19942; NSC-19942; NCI60_001654; C09557; Q27108396; (1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadec-4-ene-3,11-dione; 2-hydroxy-2,2a,6,9a-tetramethyl-2a,4a,5,6,6a,9a,9b,9c-octahydro-2H-1,4-dioxadicyclopenta[cd,f]azulene-3,9-dione; 2H-1,4-Dioxadicyclopenta(cd,f)azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-, (2aR,4aS,6R,6aR,9aR,9bR,9cR)-; 2H-1,f]azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-; 2H-1,f]azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-, [2R-(2.alpha.,2a.alpha.,4a.alpha.,6.alpha.,6a.alpha.,9a.beta.,9b.alpha.,9c.alpha.)]-; Ambros-2-en-12-oic acid, 6-beta,13-epoxy-8-alpha,13-dihydroxy-11-methyl-4-oxo-, gamma-lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19942	.	.	.	.	306.4	C17H22O5	72.8	612	0.3	22	1	5	0	"InChI=1S/C17H22O5/c1-8-7-10-12-13(15(2)9(8)5-6-11(15)18)22-17(4,20)16(12,3)14(19)21-10/h5-6,8-10,12-13,20H,7H2,1-4H3/t8-,9+,10+,12-,13-,15+,16+,17 /m1/s1"	C[C@@H]1C[C@H]2[C@@H]3[C@H]([C@]4([C@H]1C=CC4=O)C)OC([C@@]3(C(=O)O2)C)(C)O	CNIULSUYTFOEHN-MEBIVNBJSA-N
DG51216	10-(3-(1-azaspiro[4.5]dec-1-yl)propyl)-2-chloro-10H-phenothiazine	227840	"NSC19976; NSC-19976; 10-(3-(1-azaspiro[4.5]dec-1-yl)propyl)-2-chloro-10H-phenothiazine; 10-[3-(1-azaspiro[4.5]dec-1-yl)propyl]-2-chloro-10H-phenothiazine; NCIStruc1_001163; NCIStruc2_001246; CHEMBL1448562; NCI19976; ZINC1843302; CCG-37443; NCGC00013264; NCGC00013264-02; NCGC00096383-01; NCI60_001656; 10-[3-(4-azaspiro[4.5]decan-4-yl)propyl]-2-chloro-phenothiazine; 10H-Phenothiazine, 10-[3-(1-azaspiro[4.5]dec-1-yl)propyl]-2-chloro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19976	.	.	.	.	413	C24H29ClN2S	31.8	523	7.3	28	0	3	4	"InChI=1S/C24H29ClN2S/c25-19-10-11-23-21(18-19)27(20-8-2-3-9-22(20)28-23)17-7-16-26-15-6-14-24(26)12-4-1-5-13-24/h2-3,8-11,18H,1,4-7,12-17H2"	C1CCC2(CC1)CCCN2CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl	JGALTZABCXYMHO-UHFFFAOYSA-N
DG51217	5-(Butoxymethyl)-7-((4-methyl-1-piperazinyl)methyl)-8-quinolinol	227994	NSC20514; NCIMech_000725; CHEMBL2004041; 5-(Butoxymethyl)-7-((4-methyl-1-piperazinyl)methyl)-8-quinolinol; 5-(butoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol; CCG-35830; NSC-20514; ZINC19364705; NCI60_001725	.	.	Investigative Drug(s)	Investigative	Small molecular drug	20514	.	.	.	.	343.5	C20H29N3O2	48.8	387	2.4	25	1	5	7	"InChI=1S/C20H29N3O2/c1-3-4-12-25-15-17-13-16(14-23-10-8-22(2)9-11-23)20(24)19-18(17)6-5-7-21-19/h5-7,13,24H,3-4,8-12,14-15H2,1-2H3"	CCCCOCC1=C2C=CC=NC2=C(C(=C1)CN3CCN(CC3)C)O	SOALJBSEAGNYKO-UHFFFAOYSA-N
DG51218	Pilocereine	228285	"PILOCEREINE; Pilocercine; 2552-47-8; UNII-PV5UF6M752; NSC21075; CHEBI:8208; PV5UF6M752; 6-methoxy-8-[[6-methoxy-8-[[6-methoxy-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-ol; 1-Isobutyl-8-((1-isobutyl-8-((1-isobutyl-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl)oxy)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl)oxy)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinol; 1-ISOBUTYL-8-({1-ISOBUTYL-8-[(1-ISOBUTYL-6-METHOXY-2-METHYL-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINYL)OXY]-6-METHOXY-2-METHYL-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINYL}OXY)-6-METHOXY-2-METHYL-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINOL; NSC 21075; C09609; Neuro_000011; CHEMBL2006650; DTXSID90948422; NSC90601; NSC-21075; NSC-90601; AKOS024427234; MCULE-4404393518; NCI60_001768; Q27107946; 1-isobutyl-8-[[1-isobutyl-8-[(1-isobutyl-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; 6-Methoxy-8-{[6-methoxy-8-{[6-methoxy-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2-methyl-1-(2-methylpropyl; 7-Isoquinolinol, 1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-7-isoquinolinyl ]oxy]-7-isoquinolinyl]oxy]-; 7-Isoquinolinol, 1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-7-isoquinolinyl]oxy]-7-isoquinolinyl]oxy]-; 7-Isoquinolinol,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-7-isoquinolinyl]oxy]-7-isoquinolinyl]oxy]-; 7-Isoquinolinol,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-7-isoquinolinyl]oxy]-7-isoquinolinyl]oxy]- (VA"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21075	.	.	.	.	744	C45H65N3O6	76.1	1160	9.3	54	1	9	13	"InChI=1S/C45H65N3O6/c1-26(2)19-33-32-25-37(36(50-10)22-29(32)13-16-46(33)7)53-45-41-31(15-18-48(9)35(41)21-28(5)6)24-39(52-12)43(45)54-44-40-30(23-38(51-11)42(44)49)14-17-47(8)34(40)20-27(3)4/h22-28,33-35,49H,13-21H2,1-12H3"	CC(C)CC1C2=CC(=C(C=C2CCN1C)OC)OC3=C4C(N(CCC4=CC(=C3OC5=C6C(N(CCC6=CC(=C5O)OC)C)CC(C)C)OC)C)CC(C)C	AFQDIEHIPKSXRL-UHFFFAOYSA-N
DG51219	"N,N-bis[2-oxo-2-(2-phenylhydrazinyl)ethyl]nitrous amide"	228424	MLS003389379; 7155-39-7; NSC21356; CHEMBL2140561; DTXSID10281343; ZINC4692466; NSC-21356; SMR002049033	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21356	.	.	.	.	342.35	C16H18N6O3	115	400	2.6	25	4	7	8	"InChI=1S/C16H18N6O3/c23-15(19-17-13-7-3-1-4-8-13)11-22(21-25)12-16(24)20-18-14-9-5-2-6-10-14/h1-10,17-18H,11-12H2,(H,19,23)(H,20,24)"	C1=CC=C(C=C1)NNC(=O)CN(CC(=O)NNC2=CC=CC=C2)N=O	GMCWBXDBYUUHBM-UHFFFAOYSA-N
DG51220	"(2,4,7-trimethyl-1H-indol-3-yl)acetic acid"	228480	"(2,4,7-trimethyl-1H-indol-3-yl)acetic acid; 5435-43-8; 2-(2,4,7-trimethyl-1H-indol-3-yl)acetic acid; NSC21434; NSC-21434; NCIStruc1_000377; NCIStruc2_000417; CHEMBL1322207; DTXSID80281375; ALBB-007622; NCI21434; ZINC1577691; 5305AE; CCG-38029; MFCD02664368; NCGC00013274; STK501135; AKOS000505705; MCULE-4764160154; NCGC00013274-02; NCGC00096393-01; LS-02834; NCI60_001793; DB-030325; BB 0248913; CS-0315847; FT-0679350; (2,4,7-TRIMETHYL-1H-INDOL-3-YL)-ACETIC ACID; (2,4,7-Trimethyl-1H-indol-3-yl)-acetic acid, AldrichCPR"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21434	.	.	.	.	217.26	C13H15NO2	53.1	279	2.6	16	2	2	2	"InChI=1S/C13H15NO2/c1-7-4-5-8(2)13-12(7)10(6-11(15)16)9(3)14-13/h4-5,14H,6H2,1-3H3,(H,15,16)"	CC1=C2C(=C(NC2=C(C=C1)C)C)CC(=O)O	FOYXJMABOXFXKS-UHFFFAOYSA-N
DG51221	2-Tert-butyl-6-((dimethylamino)methyl)-4-isopropylphenol	228534	NSC21518; 6936-44-3; NSC-21518; 2-tert-butyl-6-((dimethylamino)methyl)-4-isopropylphenol; NCIStruc1_000528; NCIStruc2_000611; CHEMBL1437281; SCHEMBL13038115; DTXSID60281398; NCI21518; ZINC1583659; CCG-38110; NCGC00013276; NCGC00013276-02; NCGC00096395-01; NCI60_001796	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21518	.	.	.	.	249.39	C16H27NO	23.5	254	4.2	18	1	2	4	"InChI=1S/C16H27NO/c1-11(2)12-8-13(10-17(6)7)15(18)14(9-12)16(3,4)5/h8-9,11,18H,10H2,1-7H3"	CC(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CN(C)C	GVUNWVGYJROCEX-UHFFFAOYSA-N
DG51222	"4,4-Bis(3,5-dibromo-4-hydroxyphenyl)pentanoic acid"	228569	"4,4-bis(3,5-dibromo-4-hydroxyphenyl)pentanoic acid; NSC21588; NSC-21588; 16733-29-2; NCIStruc1_000405; NCIStruc2_000107; CHEMBL1611308; SCHEMBL14286207; DTXSID40281412; NCI21588; ZINC3953896; CCG-36336; NCGC00013277; AKOS024428966; 3,3',5,5'-Tetrabromodiphenolic acid; MCULE-1426678982; Benzenebutanoic acid,3,5-dibromo-g-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-g-methyl-; NCGC00013277-02; NCGC00096396-01; NCI60_001803; DS-010108; 4,4-BIS(3,5-DIBROMO-4-HYDROXYPHENYL)VALERIC ACID"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21588	.	.	.	.	601.9	C17H14Br4O4	77.8	424	6.1	25	3	4	5	"InChI=1S/C17H14Br4O4/c1-17(3-2-14(22)23,8-4-10(18)15(24)11(19)5-8)9-6-12(20)16(25)13(21)7-9/h4-7,24-25H,2-3H2,1H3,(H,22,23)"	CC(CCC(=O)O)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br	OFLOJYUEVWVCRY-UHFFFAOYSA-N
DG51223	"2-Bromophenazine 5,10-dioxide"	228612	"2-Bromophenazine 5,10-dioxide; 6975-74-2; NSC21662; CHEMBL1990500; DTXSID80281431; ZINC4692632; NSC-21662"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21662	.	.	.	.	291.1	C12H7BrN2O2	46.4	326	2	17	0	3	0	InChI=1S/C12H7BrN2O2/c13-8-5-6-11-12(7-8)15(17)10-4-2-1-3-9(10)14(11)16/h1-7H	C1=CC=C2C(=C1)N(C3=C([N+]2=O)C=CC(=C3)Br)[O-]	QHADQMGMNWVWKS-UHFFFAOYSA-N
DG51224	Phenazine di-N-oxide	228615	"Phenazine di-N-oxide; 303-83-3; Phenazine, 5,10-dioxide; 10-oxidophenazin-5-ium 5-oxide; Phenazine 5,10-dioxide; Phenazine N,N'-dioxide; NSC21666; NSC 21666; Phenazine,10-dioxide; AI3-60114; phenazine-5,10-dioxide; CBDivE_004576; SCHEMBL6919829; YSCK0052; CHEMBL1971077; DTXSID20184391; ZINC4159277; NSC-21666; AKOS002346527; AB00682028-01; PHENAZINE-5,10-DIIUM-5,10-BIS(OLATE)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21666	.	.	.	.	212.2	C12H8N2O2	46.4	241	1.3	16	0	3	0	InChI=1S/C12H8N2O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H	C1=CC=C2C(=C1)N(C3=CC=CC=C3[N+]2=O)[O-]	ZMFJCQAPRNRDSK-UHFFFAOYSA-N
DG51225	"2-Methoxyphenazine, 5,10-dioxide"	228616	"303-78-6; 2-Methoxyphenazine, 5,10-dioxide; NSC54765; 2-Methoxyphenazine,10-dioxide; CHEMBL1966308; SCHEMBL20269368; DTXSID00281433; 2-Methoxyphenazine 5,10-dioxide; NSC21669; ZINC4692635; NSC-21669; NSC-54765; Phenazine (8CI 9CI), 5,10-dioxide; NCI60_004348"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21669	.	.	.	.	242.23	C13H10N2O3	55.6	336	1.3	18	0	4	1	"InChI=1S/C13H10N2O3/c1-18-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3"	COC1=CC2=C(C=C1)[N+](=O)C3=CC=CC=C3N2[O-]	KEQNUKOWWOSBSJ-UHFFFAOYSA-N
DG51226	"5-Imino-4-((4-methoxyphenyl)diazenyl)-2-methyl-2,5-dihydro-1H-pyrazol-3-amine"	228622	"NSC21681; MLS002638805; 5460-43-5; 5-Imino-4-((4-methoxyphenyl)diazenyl)-2-methyl-2,5-dihydro-1H-pyrazol-3-amine; NSC 21681; CHEMBL1727970; CHEMBL1964951; HMS3086P15; ZINC8613392; NSC-21681; STL437892; ZINC17149629; ZINC96319570; AKOS005220743; MCULE-7083798229; NCI60_001810; SMR001548270; 5-imino-4-[(E)-(4-methoxyphenyl)azo]-2-methyl-1H-pyrazol-3-amine; (4E)-4-[2-(4-methoxyphenyl)hydrazinylidene]-1-methylpyrazolidine-3,5-diimine; 5-Imino-4-((4-methoxyphenyl)diazenyl)-2-methyl-2,5-dihydro-1H-pyrazol-3-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21681	.	.	.	.	246.27	C11H14N6O	104	291	1.3	18	2	6	3	"InChI=1S/C11H14N6O/c1-17-11(13)9(10(12)16-17)15-14-7-3-5-8(18-2)6-4-7/h3-6H,13H2,1-2H3,(H2,12,16)"	CN1C(=C(C(=N1)N)N=NC2=CC=C(C=C2)OC)N	NWQQBZKPONFZBT-UHFFFAOYSA-N
DG51227	"3-amino-5-imino-1-phenyl-1,5-dihydro-4H-pyrazol-4-one (4-methylphenyl)hydrazone"	228624	"MLS000737993; 3-amino-5-imino-1-phenyl-1,5-dihydro-4H-pyrazol-4-one (4-methylphenyl)hydrazone; MLS000701268; 5456-92-8; 4-[(4-methylphenyl)diazenyl]-1-phenylpyrazole-3,5-diamine; SMR000225522; NSC21683; CHEMBL1602538; CHEMBL4296833; BDBM49643; cid_6403437; DTXSID20423318; HMS2580N16; NSC-21683; STL437902; ZINC16969599; ZINC17206546; (4Z)-5-imino-4-[(4-methylphenyl)hydrazinylidene]-1-phenylpyrazol-3-amine; AKOS005220813; ZINC100365346; ZINC252599393; MCULE-2094170111; AG-205/08692002; (4Z)-5-imino-4-[(4-methylphenyl)hydrazinylidene]-1-phenyl-3-pyrazolamine; (4E)-4-[2-(4-methylphenyl)hydrazinylidene]-1-phenylpyrazolidine-3,5-diimine; (4Z)-5-azanylidene-4-[(4-methylphenyl)hydrazinylidene]-1-phenyl-pyrazol-3-amine; [(Z)-(3-amino-5-imino-1-phenyl-2-pyrazolin-4-ylidene)amino]-(p-tolyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21683	.	.	.	.	292.34	C16H16N6	94.6	373	3.3	22	2	5	3	"InChI=1S/C16H16N6/c1-11-7-9-12(10-8-11)19-20-14-15(17)21-22(16(14)18)13-5-3-2-4-6-13/h2-10H,18H2,1H3,(H2,17,21)"	CC1=CC=C(C=C1)N=NC2=C(N(N=C2N)C3=CC=CC=C3)N	LQUJINAWYUSZNG-UHFFFAOYSA-N
DG51228	4-Chlorophenyl trichloromethyl sulfone	228635	NSC21715; SCHEMBL2323918; ZINC1583779; MFCD31009115; NSC-21715; 4-Chlorophenyl trichloromethyl sulfone; Trichloromethyl(4-chlorophenyl) sulfone; 117992-53-7	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21715	.	.	.	.	294	C7H4Cl4O2S	42.5	282	3	14	0	2	1	"InChI=1S/C7H4Cl4O2S/c8-5-1-3-6(4-2-5)14(12,13)7(9,10)11/h1-4H"	C1=CC(=CC=C1S(=O)(=O)C(Cl)(Cl)Cl)Cl	PJNHKVGTQYJHKQ-UHFFFAOYSA-N
DG51229	"1-(4-Bromophenyl)-2-methyl-1H-naphtho(2,3-d)imidazole-4,9-dione"	229013	"93657-41-1; QUZ9ZL4FJE; UNII-QUZ9ZL4FJE; NSC22348; 1-(4-Bromophenyl)-2-methyl-1H-naphtho(2,3-d)imidazole-4,9-dione; 1-(4-Bromophenyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione; NSC 22348; SCHEMBL6304983; CHEMBL1973303; DTXSID40239498; NSC-22348; NCI60_001844; 1H-Naphth[2,9-dione, 1-(4-bromophenyl)-2-methyl-; 1H-Naphth[2,9-dione, 1-(p-bromophenyl)- 2-methyl-; 3-(4-bromophenyl)-2-methyl-benzo[f]benzimidazole-4,9-dione; 1-(4-Bromophenyl)-2-methyl-1H-naphth[2,3-d]imidazole-4,9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	22348	.	.	.	.	367.2	C18H11BrN2O2	52	503	4.4	23	0	3	1	"InChI=1S/C18H11BrN2O2/c1-10-20-15-16(21(10)12-8-6-11(19)7-9-12)18(23)14-5-3-2-4-13(14)17(15)22/h2-9H,1H3"	CC1=NC2=C(N1C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C4C2=O	APVKJXLEZCSCCT-UHFFFAOYSA-N
DG51230	"Methyl 11,12-dibromo-3,9-epoxycholan-24-oate"	229453	"NSC23159; methyl 11,12-dibromo-3,9-epoxycholan-24-oate; 23405-11-0; NSC-23159; CHEMBL2005733; DTXSID30946063; NCI60_001875; methyl 4-(2,3-dibromo-4,17-dimethyl-18-oxapentacyclo[12.3.1.01,9.04,8.012,17]octadecan-5-yl)pentanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23159	.	.	.	.	546.4	C25H38Br2O3	35.5	715	6.9	30	0	3	5	"InChI=1S/C25H38Br2O3/c1-14(5-10-20(28)29-4)17-8-9-18-19-7-6-15-13-16-11-12-23(15,2)25(19,30-16)22(27)21(26)24(17,18)3/h14-19,21-22H,5-13H2,1-4H3"	CC(CCC(=O)OC)C1CCC2C1(C(C(C34C2CCC5C3(CCC(C5)O4)C)Br)Br)C	XRRHDGKBIMJRKD-UHFFFAOYSA-N
DG51231	Nandrolone phenpropionate	229455	"Nandrolone phenpropionate; nandrolone phenylpropionate; 62-90-8; Nortestosterone phenylpropionate; Nadrolone phenylpropionate; Nandrolon phenylpropionate; Fenobolin; Nandrolin; Nerobolil; Norandrostenolone phenylpropionate; Superanabolon; Phenobolin; Norandrolone phenyl propionate; NTPP; Durabolin; 19Ntpp; Norandrolone phenylpropionate; Nandrolone Phenylpionate; UNII-KF7Z9K2T3W; Nandrobolic; Strabolene; 19-Nortestosterone, hydrocinnamate; 19-Nortestosterone phenylpropionate; 19-Nortestosterone phenyl propionate; 19-Norandrostenolone phenylpropionate; KF7Z9K2T3W; Activin; Nerobil; SK 22271; CHEBI:7468; [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate; Nandrolone phenpropionate [USP]; (17beta)-3-oxoestr-4-en-17-yl 3-phenylpropanoate; Anticatabolin; Estr-4-en-3-one, 17-(1-oxo-3-phenylpropoxy)-, (17b)-; DSSTox_CID_3353; DSSTox_RID_76989; DSSTox_GSID_23353; Nandrolone phenpropionate (USP); Sintabolin; Anabosan; Equibolin; Hybolin; Norandrol; CAS-62-90-8; Durabolin-50; 17b-hydroxyestr-4-en-3-one 17-(3-phenylpropionate); Activine; NSC-23162; Durabolin (TN); NCGC00159356-02; EINECS 200-551-9; NSC 23162; 17-(1-oxo-3-phenylpropoxy)estr-4-en-3-one; 17.beta.-Phenylpropionyloxy-4-estrene-3-one; BRN 3170861; 17-.beta.-hydroxyestr-4-en-3-one hydrocinnamate; 17-beta-Phenylpropionyloxy-4-estren-3-one; 17beta-Phenylpropionyloxy-4-estrene-3-one; 17beta-Hydroxyestr-4-en-3-one hydrocinnamate; 17-beta-hydroxyestr-4-en-3-one hydrocinnamate; SCHEMBL8443; 3-Oxo-4-estren-17beta-yl-(3-phenylpropionat); 4-09-00-01758 (Beilstein Handbook Reference); Nortestosterone Furanpropionate; 17-beta-Hydroxy-estra-4-en-3-one, 17-phenylpropionate; CHEMBL1200412; DTXSID2023353; 17-beta-Hydroxyestr-4-en-3-one 17-(3-phenylpropionate); Estr-4-ene-3-one, 17-beta-hydroxy-, 3-phenylpropionate; Estr-4-en-3-one, hydrocinnamate; Nandrolone phenylpropionate (JAN); Estr-4-en-3-one, 17-(1-oxo-3-phenylpropoxy)-, (17beta)-; (8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl 3-phenylpropanoate; NSC23162; ZINC3881613; Tox21_113342; AKOS015888240; Tox21_113342_1; DB00984; DS-3294; NCGC00274069-01; 3-oxoestr-4-en-17beta-yl 3-phenylpropanoate; C08155; D00956; 198N407; Q4312826; W-104946; 17-(1-oxo-3-phenylpropoxy)estr-4-en-3-one (9CI); ESTR-4-EN-3-ONE, 17-beta-HYDROXY-, HYDROCINNAMATE; Estr-4-en-3-one, 17beta-hydroxy-, hydrocinnamate (8CI); (1S,2R,10R,11S,14S,15S)-15-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl 3-phenylpropanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23162	.	.	.	.	406.6	C27H34O3	43.4	703	5.1	30	0	3	5	"InChI=1S/C27H34O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,17,21-25H,7-16H2,1H3/t21-,22+,23+,24-,25-,27-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4=CC=CC=C4)CCC5=CC(=O)CC[C@H]35	UBWXUGDQUBIEIZ-QNTYDACNSA-N
DG51232	4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid	229459	NSC23173; 5454-41-1; NSC-23173; NCIStruc1_001249; NCIStruc2_001157; CHEMBL1410175; DTXSID50281822; NCI23173; ZINC3953903; CCG-36879; NCGC00013293; ZINC12671269; NCGC00013293-02; NCGC00096410-01; NCI60_001879; 4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23173	.	.	.	.	356.4	C22H16N2O3	78.8	609	3.6	27	2	4	3	"InChI=1S/C22H16N2O3/c1-13(25)23-16-10-11-18-17-4-2-3-5-19(17)21(20(18)12-16)24-15-8-6-14(7-9-15)22(26)27/h2-12H,1H3,(H,23,25)(H,26,27)"	CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=NC4=CC=C(C=C4)C(=O)O	GWEBVBWBASDHFZ-UHFFFAOYSA-N
DG51233	"N-(3-methylphenyl)-2,4,7-trinitrofluoren-9-imine"	229543	MLS002638937; 5455-09-4; NSC23297; CHEMBL1722933; SCHEMBL14922778; DTXSID90281866; HMS3085A12; NSC-23297; ZINC22247814; ZINC84459793; SMR001548397	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23297	.	.	.	.	404.3	C20H12N4O6	150	741	4.6	30	0	7	1	"InChI=1S/C20H12N4O6/c1-11-3-2-4-12(7-11)21-20-16-8-13(22(25)26)5-6-15(16)19-17(20)9-14(23(27)28)10-18(19)24(29)30/h2-10H,1H3"	CC1=CC(=CC=C1)N=C2C3=C(C=CC(=C3)[N+](=O)[O-])C4=C2C=C(C=C4[N+](=O)[O-])[N+](=O)[O-]	TXXZCDVOLGIYSQ-UHFFFAOYSA-N
DG51234	1-(((4-Methylphenyl)sulfinyl)oxy)-4-phenyl-4-piperidinecarboxylic acid	229831	NSC23833; NSC-23833; NCIStruc1_001011; NCIStruc2_001117; CHEMBL1515789; NCI23833; NCGC00013299; NCGC00013299-02; NCGC00096416-01; NCI60_001913; 1-(((4-methylphenyl)sulfinyl)oxy)-4-phenyl-4-piperidinecarboxylic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23833	.	.	.	.	359.4	C19H21NO4S	86	476	1.3	25	1	6	5	"InChI=1S/C19H21NO4S/c1-15-7-9-17(10-8-15)25(23)24-20-13-11-19(12-14-20,18(21)22)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,22)"	CC1=CC=C(C=C1)S(=O)ON2CCC(CC2)(C3=CC=CC=C3)C(=O)O	AUNZEEIWDQBQHT-UHFFFAOYSA-N
DG51235	"p-Phenylenediamine (8CI), N-butyl-N'-phenyl-"	229938	"1-N-butyl-4-N-phenylbenzene-1,4-diamine; p-Phenylenediamine (8CI), N-butyl-N'-phenyl-; 15464-99-0; NSC24030; 1, N-butyl-N'-phenyl-; SCHEMBL1849170; DTXSID10935031; ZINC1608815; NSC-24030; N-Butyl-N'-phenyl-p-phenylenediamine; N~1~-Butyl-N~4~-phenylbenzene-1,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24030	.	.	.	.	240.34	C16H20N2	24.1	203	4.7	18	2	2	6	"InChI=1S/C16H20N2/c1-2-3-13-17-14-9-11-16(12-10-14)18-15-7-5-4-6-8-15/h4-12,17-18H,2-3,13H2,1H3"	CCCCNC1=CC=C(C=C1)NC2=CC=CC=C2	PIPXINMICYUFAD-UHFFFAOYSA-N
DG51236	"3-(8-chloro-7H-benzo[c]phenothiazin-7-yl)-N,N-dimethyl-1-propanamine"	229969	"NSC24113; MLS002702828; NSC-24113; 5459-31-4; 3-(8-chloro-7H-benzo[c]phenothiazin-7-yl)-N,N-dimethyl-1-propanamine; NCIMech_000745; NCIStruc1_001251; NCIStruc2_001032; CHEMBL1600497; DTXSID10282077; NCI24113; ZINC1608874; CCG-36003; CCG-37159; NCGC00013308; NCGC00013308-02; NCGC00096425-01; NCI60_001935; SMR001566655"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24113	.	.	.	.	368.9	C21H21ClN2S	31.8	446	6	25	0	3	4	"InChI=1S/C21H21ClN2S/c1-23(2)13-6-14-24-18-12-11-15-7-3-4-8-16(15)21(18)25-19-10-5-9-17(22)20(19)24/h3-5,7-12H,6,13-14H2,1-2H3"	CN(C)CCCN1C2=C(C3=CC=CC=C3C=C2)SC4=C1C(=CC=C4)Cl	YQQOWRFAYJNTDF-UHFFFAOYSA-N
DG51237	Aureolic acid	230076	plicamycin; mithramycin a; Aureolic acid; 18378-89-7; NSC24559; Neuro_000012; CHEMBL1881779; SCHEMBL13840953; BCP22028; NCGC00181147-01; NCGC00181147-02; NCGC00181147-03; NCI60_001964; FT-0628952; Mithramycin A pound>>Mithramycin pound>>Mitramycin	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24559	.	.	.	.	1085.1	C52H76O24	358	1940	0.6	76	11	24	15	"InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3"	CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O	CFCUWKMKBJTWLW-UHFFFAOYSA-N
DG51238	"2,4,7-Tribromotropone"	230132	"MLS002639008; 2,4,7-tribromocyclohepta-2,4,6-trien-1-one; 29798-82-1; SMR001548464; 2,4,7-Tribromotropone; NSC24692; cid_230132; CHEMBL1732235; BDBM83272; DTXSID60952233; HMS3093H15; ZINC1614594; NSC-24692; AKOS024406368; MCULE-7667017807; 2,4,7-tribromo-1-cyclohepta-2,4,6-trienone; 2,4,7-Tribromo-2,4,6-cycloheptatrien-1-one; 2,4,7-Tribromo-2,4,6-cycloheptatriene-1-one; 2,4,7-Tribromo-2,4,6-cycloheptatrien-1-one #; 2,4,7-tris(bromanyl)cyclohepta-2,4,6-trien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24692	.	.	.	.	342.81	C7H3Br3O	17.1	286	3.8	11	0	1	0	InChI=1S/C7H3Br3O/c8-4-1-2-5(9)7(11)6(10)3-4/h1-3H	C1=C(C=C(C(=O)C(=C1)Br)Br)Br	MXXSTRTVSOUGQE-UHFFFAOYSA-N
DG51239	2-(4-Formyl(2-((methylsulfonyl)oxy)ethyl)anilino)ethyl methanesulfonate	230220	"4248-79-7; 2-(4-Formyl(2-((methylsulfonyl)oxy)ethyl)anilino)ethyl methanesulfonate; NSC268965; Benzaldehyde, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-; NSC24820; NSC 268965; NCIMech_000371; Neuro_000134; SCHEMBL1298937; CHEMBL1976624; DTXSID00195268; ZINC1615308; 2-[4-formyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate; CCG-35565; NSC-24820; NSC-268965; NCI60_002179; DS-003357; 4-[bis[2-[(methylsulfonyl)-oxy]ethyl]amino]-benzaldehyde; Benzaldehyde, {4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	268965	.	.	.	.	365.4	C13H19NO7S2	124	516	0.4	23	0	8	10	"InChI=1S/C13H19NO7S2/c1-22(16,17)20-9-7-14(8-10-21-23(2,18)19)13-5-3-12(11-15)4-6-13/h3-6,11H,7-10H2,1-2H3"	CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C=O	DCAJFQDHDVTBOS-UHFFFAOYSA-N
DG51240	l-Arctigenin	230232	"l-Arctigenin; NSC659370; ARCTIGENIN,(L); SCHEMBL381821; CHEMBL1966556; BCP13291; NSC24871; NSC-24871; AKOS015960491; 2(3H)-Furanone,4-[(3,4-dimethoxyphenyl)methyl]dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]-,(3R,4R); AC-11096; NCI60_001985; J3.588.084D; 3-Vanillyl-4-(3,4-dimethoxybenzyl)4,5-dihydro2(3H)-furanone; 4-(3,4-Dimethoxybenzyl)-3-(4-hydroxy-3-methoxybenzyl)dihydro-2(3H)-furanone; 4-(3,4-Dimethoxybenzyl)-3-(4-hydroxy-3-methoxybenzyl)dihydro-2(3H)-furanone #; Dihydrofuran-2-one, 4-(3,4-dimethoxybenzyl)-3-(4-hydroxy-3-methoxybenzyl)-; 4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24871	.	.	.	.	372.4	C21H24O6	74.2	483	3.6	27	1	6	7	"InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3"	COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OC	NQWVSMVXKMHKTF-UHFFFAOYSA-N
DG51241	Isoquinolin-1-yl-(4-methoxyphenyl)-phenylmethanol	230510	NSC25454; CHEMBL1977765; NSC-25454; NCI60_002041	.	.	Investigative Drug(s)	Investigative	Small molecular drug	25454	.	.	.	.	341.4	C23H19NO2	42.4	442	4.4	26	1	3	4	"InChI=1S/C23H19NO2/c1-26-20-13-11-19(12-14-20)23(25,18-8-3-2-4-9-18)22-21-10-6-5-7-17(21)15-16-24-22/h2-16,25H,1H3"	COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=NC=CC4=CC=CC=C43)O	SJOGTWBIIGPFCI-UHFFFAOYSA-N
DG51242	"1-(aziridin-1-yl)-N-[4-[[4-[[1-(aziridin-1-yl)-2,2-diphenylethylidene]amino]phenyl]methyl]phenyl]-2,2-diphenylethanimine"	230621	NSC25703; CHEMBL1972048; ZINC4537191; NSC-25703; ZINC102948314; ZINC104337285	.	.	Investigative Drug(s)	Investigative	Small molecular drug	25703	.	.	.	.	636.8	C45H40N4	30.7	930	9.3	49	0	2	12	"InChI=1S/C45H40N4/c1-5-13-36(14-6-1)42(37-15-7-2-8-16-37)44(48-29-30-48)46-40-25-21-34(22-26-40)33-35-23-27-41(28-24-35)47-45(49-31-32-49)43(38-17-9-3-10-18-38)39-19-11-4-12-20-39/h1-28,42-43H,29-33H2"	C1CN1C(=NC2=CC=C(C=C2)CC3=CC=C(C=C3)N=C(C(C4=CC=CC=C4)C5=CC=CC=C5)N6CC6)C(C7=CC=CC=C7)C8=CC=CC=C8	ZMQAGNTVNFAVCU-UHFFFAOYSA-N
DG51243	"2,4-Dinitrophenyl 4-methylbenzenesulfonate"	230690	"742-25-6; 2,4-dinitrophenyl 4-methylbenzenesulfonate; (2,4-dinitrophenyl) 4-methylbenzenesulfonate; 2,4-dinitrophenyl p-toluenesulfonate; Phenol,2,4-dinitro-, 1-(4-methylbenzenesulfonate); 2,4-Dinitrophenyl 4-methylbenzene-1-sulfonate; NSC25830; CBDivE_002081; SCHEMBL5148413; DTXSID20282422; ZINC1628058; NSC-25830; 2,4-dinitrophenyl 4-toluenesulfonate; AKOS003670447; MCULE-4706461120; 1-(2,4-Dinitrophenoxysulfonyl)-4-methylbenzene; 1-(4-methylphenyl)sulfonyloxy-2,4-dinitrobenzene; SR-01000195135; SR-01000195135-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	25830	.	.	.	.	338.29	C13H10N2O7S	143	540	3	23	0	7	3	"InChI=1S/C13H10N2O7S/c1-9-2-5-11(6-3-9)23(20,21)22-13-7-4-10(14(16)17)8-12(13)15(18)19/h2-8H,1H3"	CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]	NQXDAKVRYHXNPE-UHFFFAOYSA-N
DG51244	"2-Nitrophenyl 2,4,6-trimethylbenzene-1-sulfonate"	230706	"MLS002639077; NSC25846; CHEMBL1880805; HMS3093J17; ZINC1628074; NSC-25846; AS-0444; SMR001548529; 2-nitrophenyl 2,4,6-trimethylbenzene-1-sulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	25846	.	.	.	.	321.3	C15H15NO5S	97.6	483	3.9	22	0	5	3	"InChI=1S/C15H15NO5S/c1-10-8-11(2)15(12(3)9-10)22(19,20)21-14-7-5-4-6-13(14)16(17)18/h4-9H,1-3H3"	CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=CC=C2[N+](=O)[O-])C	QCCDASOPVJFNAY-UHFFFAOYSA-N
DG51245	1-(4-Chloronaphthalen-1-yl)-2-(dimethylamino)ethanol;4-methylbenzenesulfonic acid	230791	NSC26074; 7355-65-9; NSC-26074; CHEMBL2006373; DTXSID20282482; NCI60_002082; 1-(4-chloro-1-naphthyl)-2-(dimethylamino)ethanol 4-methylbenzenesulfonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26074	.	.	.	.	421.9	C21H24ClNO4S	86.2	453	.	28	2	5	4	"InChI=1S/C14H16ClNO.C7H8O3S/c1-16(2)9-14(17)12-7-8-13(15)11-6-4-3-5-10(11)12;1-6-2-4-7(5-3-6)11(8,9)10/h3-8,14,17H,9H2,1-2H3;2-5H,1H3,(H,8,9,10)"	CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CC(C1=CC=C(C2=CC=CC=C21)Cl)O	VAGOADMLDBRNCD-UHFFFAOYSA-N
DG51246	5-Chloro-2h-chromen-2-one	230978	"5-chloro-2h-chromen-2-one; 38169-98-1; 5-Chlorocoumarin; 5-chlorochromen-2-one; 2H-1-Benzopyran-2-one, 5-chloro-; NSC26427; 5-chloranylchromen-2-one; 5-chloro-1-benzopyran-2-one; CHEMBL1964466; SCHEMBL11035090; DTXSID80282544; ZINC1628459; NSC-26427; NCI60_002118; DB-082871; FT-0761625; A827125"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26427	.	.	.	.	180.59	C9H5ClO2	26.3	225	2.5	12	0	2	0	InChI=1S/C9H5ClO2/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5H	C1=CC2=C(C=CC(=O)O2)C(=C1)Cl	VYFHMNIBSWVKIH-UHFFFAOYSA-N
DG51247	"4,5,6-Trichloro-2-methylpyrimidine"	231054	"4,5,6-Trichloro-2-methylpyrimidine; 1780-28-5; 4,5,6-trichloro-2-methyl-pyrimidine; NSC26540; NSC 26540; trichloro methylpyrimidine; SCHEMBL376722; CHEMBL1993670; DTXSID20170411; 2-Methyl-4,6-trichloropyrimidine; 2-Methyl-4,6-trichloropyrimidine;; BAA78028; ZINC1633981; 2-Methyl-4,5,6-trichloropyrimidine; 9341AA; MFCD12405315; NSC-26540; Pyrimidine,5,6-trichloro-2-methyl-; AKOS015851267; LE-0732; MCULE-5460345901; SB56181; NCI60_002129; DB-058012; CS-0308093; FT-0682698; A881426; J-514061"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26540	.	.	.	.	197.45	C5H3Cl3N2	25.8	110	3.2	10	0	2	0	InChI=1S/C5H3Cl3N2/c1-2-9-4(7)3(6)5(8)10-2/h1H3	CC1=NC(=C(C(=N1)Cl)Cl)Cl	MLXZCYRURHJFLL-UHFFFAOYSA-N
DG51248	"4,5-Bis(4-methoxyphenyl)-1,5-dihydroimidazol-2-one"	231112	"4,5-bis(4-methoxyphenyl)-1,5-dihydroimidazol-2-one; 5471-41-0; MLS000738063; NSC26692; CHEMBL1451487; HMS2768I09; NSC-26692; SMR000393735; 4,5-bis(4-Methoxyphenyl)-1H-imidazol-2(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26692	.	.	.	.	296.32	C17H16N2O3	59.9	422	2.8	22	1	3	4	"InChI=1S/C17H16N2O3/c1-21-13-7-3-11(4-8-13)15-16(19-17(20)18-15)12-5-9-14(22-2)10-6-12/h3-10,15H,1-2H3,(H,18,20)"	COC1=CC=C(C=C1)C2C(=NC(=O)N2)C3=CC=C(C=C3)OC	FYTWLGPRDSDFFN-UHFFFAOYSA-N
DG51249	"N-(4-Acetylimino-1-oxo-1,4-dihydro-2-naphthyl)acetamide"	231115	"NSC26697; CHEMBL1970499; NSC-26697; ZINC16970783; ZINC104338676; NCI60_002152; N-(4-Acetylimino-1-oxo-1,4-dihydro-2-naphthyl)acetamide; N-[(1E)-3-(Acetylamino)-4-oxonaphthalenylidene]acetamide #; N-[4-(Acetylimino)-1-oxo-1,4-dihydronaphthalene-2-yl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26697	.	.	.	.	256.26	C14H12N2O3	75.6	491	1.4	19	1	3	1	"InChI=1S/C14H12N2O3/c1-8(17)15-12-7-13(16-9(2)18)14(19)11-6-4-3-5-10(11)12/h3-7H,1-2H3,(H,16,18)"	CC(=O)NC1=CC(=NC(=O)C)C2=CC=CC=C2C1=O	IPDPPISLQQOKEV-UHFFFAOYSA-N
DG51250	"Acetophenone, 2-phenyl-2-(4-methylphenylamino)"	231205	"MLS002639153; Acetophenone, 2-phenyl-2-(4-methylphenylamino); NSC26933; 78604-82-7; CHEMBL1876481; HMS3080K07; NSC-26933; 1,2-Diphenyl-2-(p-tolylamino)ethanone; SMR001548603"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26933	.	.	.	.	301.4	C21H19NO	29.1	360	5.4	23	1	2	5	"InChI=1S/C21H19NO/c1-16-12-14-19(15-13-16)22-20(17-8-4-2-5-9-17)21(23)18-10-6-3-7-11-18/h2-15,20,22H,1H3"	CC1=CC=C(C=C1)NC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3	OKDKHOBYMXHNMN-UHFFFAOYSA-N
DG51251	1-(Bromo(1-naphthyl)methyl)naphthalene	231626	"1-(bromo(1-naphthyl)methyl)naphthalene; NSC28081; NSC-28081; 5467-20-9; CHEMBL512832; 1,1'-(Bromomethylene)dinaphthalene; dinaphthylbromomethane; NCIStruc1_001175; NCIStruc2_001236; SCHEMBL11444158; DTXSID10969957; 1,1'-Bromomethylenebisnaphthalene; NCI28081; ZINC1646279; BDBM50262189; CCG-36823; NCGC00013347; NCGC00013347-02; NCGC00096464-01; NCI60_002284; J3.656.556J"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	28081	.	.	.	.	347.2	C21H15Br	0	331	6.7	22	0	0	2	"InChI=1S/C21H15Br/c22-21(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h1-14,21H"	C1=CC=C2C(=C1)C=CC=C2C(C3=CC=CC4=CC=CC=C43)Br	JTXUIHPHBAGZMF-UHFFFAOYSA-N
DG51252	"[4-(5,8-Diacetyloxy-1-tetracyclo[6.6.0.02,7.09,14]tetradeca-2(7),3,5,9,11,13-hexaenyl)phenyl] acetate"	231714	MLS002639224; SMR001548671; NSC28365; cid_231714; CHEMBL1702005; BDBM94642; HMS3080I13; NSC-28365; SR-01000879345; SR-01000879345-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	28365	.	.	.	.	428.4	C26H20O6	78.9	785	2.7	32	0	6	7	"InChI=1S/C26H20O6/c1-15(27)30-19-10-8-18(9-11-19)25-21-6-4-5-7-23(21)26(25,32-17(3)29)24-14-20(31-16(2)28)12-13-22(24)25/h4-14H,1-3H3"	CC(=O)OC1=CC=C(C=C1)C23C4=C(C2(C5=CC=CC=C35)OC(=O)C)C=C(C=C4)OC(=O)C	VYVDPFREHHCGMM-UHFFFAOYSA-N
DG51253	Cyclohexylmethanamine;cyclohexylmethylcarbamic acid	231799	NSC28527; NSC-28527; CHEMBL1454809; NCI28527; CCG-38079; cyclohexylmethylcarbamic acid compound with cyclohexylmethanamine (1:1); NCGC00013353; NCGC00013353-02; NCGC00096470-01; NCI60_002337	.	.	Investigative Drug(s)	Investigative	Small molecular drug	28527	.	.	.	.	270.41	C15H30N2O2	75.4	186	.	19	3	3	3	"InChI=1S/C8H15NO2.C7H15N/c10-8(11)9-6-7-4-2-1-3-5-7;8-6-7-4-2-1-3-5-7/h7,9H,1-6H2,(H,10,11);7H,1-6,8H2"	C1CCC(CC1)CN.C1CCC(CC1)CNC(=O)O	GCDRSMRLAAOGCB-UHFFFAOYSA-N
DG51254	"2,5-Bis(2,4-dimethylphenyl)hydroquinone"	232011	"5465-46-3; NSC29013; SCHEMBL1758394; DTXSID90282974; ZINC1651900; NSC-29013; 2,5-bis(2,4-dimethylphenyl)hydroquinone; 2,2'',4,4''-Tetramethyl-1,1':4',1''-terbenzene-2',5'-diol; 1~2~,1~4~,3~2~,3~4~-Tetramethyl[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	29013	.	.	.	.	318.4	C22H22O2	40.5	371	5.9	24	2	2	2	"InChI=1S/C22H22O2/c1-13-5-7-17(15(3)9-13)19-11-22(24)20(12-21(19)23)18-8-6-14(2)10-16(18)4/h5-12,23-24H,1-4H3"	CC1=CC(=C(C=C1)C2=CC(=C(C=C2O)C3=C(C=C(C=C3)C)C)O)C	FTGCTVWKHSDTEQ-UHFFFAOYSA-N
DG51255	"2,5-Bis(2,4,6-trimethylphenyl)benzene-1,4-diol"	232016	"5465-50-9; NSC29018; 2,5-bis(2,4,6-trimethylphenyl)benzene-1,4-diol; DTXSID30282978; ZINC1651907; NSC-29018"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	29018	.	.	.	.	346.5	C24H26O2	40.5	397	6.7	26	2	2	2	"InChI=1S/C24H26O2/c1-13-7-15(3)23(16(4)8-13)19-11-22(26)20(12-21(19)25)24-17(5)9-14(2)10-18(24)6/h7-12,25-26H,1-6H3"	CC1=CC(=C(C(=C1)C)C2=CC(=C(C=C2O)C3=C(C=C(C=C3C)C)C)O)C	QLGVXKFPOKNNFD-UHFFFAOYSA-N
DG51256	Ethyl 2-(anilinocarbamoyloxy)benzoate	232136	MLS002639268; NSC29182; CHEMBL1714076; HMS3078H09; ZINC1652022; NSC-29182; SMR001548714	.	.	Investigative Drug(s)	Investigative	Small molecular drug	29182	.	.	.	.	300.31	C16H16N2O4	76.7	369	3.3	22	2	5	7	"InChI=1S/C16H16N2O4/c1-2-21-15(19)13-10-6-7-11-14(13)22-16(20)18-17-12-8-4-3-5-9-12/h3-11,17H,2H2,1H3,(H,18,20)"	CCOC(=O)C1=CC=CC=C1OC(=O)NNC2=CC=CC=C2	WIQLDOABYYWJBA-UHFFFAOYSA-N
DG51257	"N'-(4-fluorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide"	232328	MLS002639293; NSC29638; CHEMBL1883915; HMS3089P19; NSC-29638; SMR001548738; 2263-58-3	.	.	Investigative Drug(s)	Investigative	Small molecular drug	29638	.	.	.	.	331.4	C16H14FN3O2S	95.5	443	2.7	23	3	5	4	"InChI=1S/C16H14FN3O2S/c17-10-5-7-11(8-6-10)19-20-15(21)9-14-16(22)18-12-3-1-2-4-13(12)23-14/h1-8,14,19H,9H2,(H,18,22)(H,20,21)"	C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NNC3=CC=C(C=C3)F	HWUGMQFMAKVBQO-UHFFFAOYSA-N
DG51258	4-((2-Hydroxybenzylidene)amino)-2-isopropyl-5-methylphenol	232780	NSC30712; MLS000737618; NSC-30712; 7251-19-6; NCIStruc1_000614; NCIStruc2_000447; CHEMBL1554411; CHEMBL1989745; HMS2765M17; NCI30712; CCG-38081; NCGC00013372; ZINC13120159; ZINC22910942; NCGC00013372-02; NCGC00096488-01; NCI60_002625; SMR000393789; 4-((2-hydroxybenzylidene)amino)-2-isopropyl-5-methylphenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30712	.	.	.	.	269.34	C17H19NO2	52.8	329	4	20	2	3	3	"InChI=1S/C17H19NO2/c1-11(2)14-9-15(12(3)8-17(14)20)18-10-13-6-4-5-7-16(13)19/h4-11,19-20H,1-3H3"	CC1=CC(=C(C=C1N=CC2=CC=CC=C2O)C(C)C)O	HYTXEOFJVZEFSX-UHFFFAOYSA-N
DG51259	"2,4,6-Trichloro-5-methylpyrimidine"	232789	"2,4,6-Trichloro-5-methylpyrimidine; 1780-36-5; methylpyrimidine; 2,4,6-Trichloro-5-; Pyrimidine, 2,4,6-trichloro-5-methyl-; 5-Methyl-2,4,6-trichloropyrimidine; MFCD00233525; NSC30722; SCHEMBL812036; CHEMBL2001844; DTXSID70283267; 2,6-Trichloro-5-methylpyrimidine; methyl 2,4,6-trichloropyrimidine; ACT01402; AMY11527; ZINC1661261; NSC-30722; Pyrimidine,4,6-trichloro-5-methyl-; AKOS000285087; AC-2386; CS-W002538; GS-6496; SB57238; Pyrimidine,2,4,6-trichloro-5-methyl-; L049; NCI60_002626; SY016045; 2,4,6-Trichloro-5-methylpyrimidine, 97%; DB-019824; FT-0609846; A26856; 780T365; W-206252"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30722	.	.	.	.	197.45	C5H3Cl3N2	25.8	110	3.5	10	0	2	0	InChI=1S/C5H3Cl3N2/c1-2-3(6)9-5(8)10-4(2)7/h1H3	CC1=C(N=C(N=C1Cl)Cl)Cl	VTSWSQGDJQFXHB-UHFFFAOYSA-N
DG51260	"1-Methylcyclopentane-1,2-dicarboxylic acid"	232835	"NSC30799; 1-methylcyclopentane-1,2-dicarboxylic acid; NSC-30799; CHEMBL1993957"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30799	.	.	.	.	344.36	C16H24O8	149	223	.	24	4	8	4	"InChI=1S/2C8H12O4/c2*1-8(7(11)12)4-2-3-5(8)6(9)10/h2*5H,2-4H2,1H3,(H,9,10)(H,11,12)"	CC1(CCCC1C(=O)O)C(=O)O.CC1(CCCC1C(=O)O)C(=O)O	GJYRVKIYYDPFCC-UHFFFAOYSA-N
DG51261	5-(Naphthalen-1-yl)-1-phenyl-1h-tetrazole	232850	NSC30813; MLS002639348; 6321-57-9; 5-(naphthalen-1-yl)-1-phenyl-1h-tetrazole; CHEMBL1897414; SCHEMBL15413314; DTXSID10283286; HMS3089L21; ZINC1661351; NSC-30813; 1-Phenyl-5-(1-naphthyl)-1H-tetrazole; SMR001548793	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30813	.	.	.	.	272.3	C17H12N4	43.6	342	4.1	21	0	3	2	InChI=1S/C17H12N4/c1-2-9-14(10-3-1)21-17(18-19-20-21)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H	C1=CC=C(C=C1)N2C(=NN=N2)C3=CC=CC4=CC=CC=C43	VXVWZSOAJZOYJH-UHFFFAOYSA-N
DG51262	"[2-Oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl acetate"	233330	Asperuloside; 14259-45-1; NSC31760; SCHEMBL308266; CHEMBL1965021; HMS3350H16; NSC-31760; NSC258322; AKOS032948766; NSC-258322; NCI60_002727; FT-0775409	.	.	Investigative Drug(s)	Investigative	Small molecular drug	31760	.	.	.	.	414.4	C18H22O11	161	746	-2.4	29	4	11	6	"InChI=1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3"	CC(=O)OCC1=CC2C3C1C(OC=C3C(=O)O2)OC4C(C(C(C(O4)CO)O)O)O	IBIPGYWNOBGEMH-UHFFFAOYSA-N
DG51263	3-But-3-en-2-yl-2-hydroxybenzaldehyde	233642	NSC32516; NSC-32516	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32516	.	.	.	.	176.21	C11H12O2	37.3	189	3	13	1	2	3	"InChI=1S/C11H12O2/c1-3-8(2)10-6-4-5-9(7-12)11(10)13/h3-8,13H,1H2,2H3"	CC(C=C)C1=CC=CC(=C1O)C=O	QHVIESXWEVIHFD-UHFFFAOYSA-N
DG51264	1-(3-Chlorophenyl)-4-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]piperazine	233683	NSC32569; NSC-32569	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32569	.	.	.	.	433.4	C23H30Cl2N4	13	470	5.1	29	0	4	6	"InChI=1S/C23H30Cl2N4/c24-20-5-7-22(8-6-20)28-15-11-26(12-16-28)9-2-10-27-13-17-29(18-14-27)23-4-1-3-21(25)19-23/h1,3-8,19H,2,9-18H2"	C1CN(CCN1CCCN2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Cl	RJIDJXUSALVOTE-UHFFFAOYSA-N
DG51265	Acetoxycycloheximide	233768	"Acetoxycycloheximide; Acetyloxycycloheximide; 2885-39-4; MLS002702835; Cycloheximide, acetoxy-; GNF-Pf-3792; NSC32743; [3-[2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl] acetate; 4-Acetoxycycloheximide; AXM; SMR001566661; Antibiotic from Streptomyces albulus; E 73; 4-Acetoxy-cycloheximide; CHEMBL582983; cid_233768; SCHEMBL2712971; BDBM93519; NSC-32743; CCG-102455; CYCLOHEXIMIDE, 4-ACETOXY-(E-B); NCGC00246789-01; NCI60_002839; Glutarimide,5-dimethyl-2-oxocyclohexyl)ethyl]-, 5-acetate; Glutarimide,5-dimethyl-2-oxocyclohexyl)ethyl]-,5-acetate; 3-[2-(2,6-Dioxo-4-piperidinyl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl acetate #; [3-[2-[2,6-bis(oxidanylidene)piperidin-4-yl]-1-oxidanyl-ethyl]-1,5-dimethyl-4-oxidanylidene-cyclohexyl] ethanoate; 2, 4-[2-[5-(acetyloxy)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-, [1S-[1.alpha.(S*),3.alpha.,5.alpha.]]-; 2, 4-[2-[5-(acetyloxy)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-, [1S-[1.alpha.(S*),3.beta.,5.beta.]]-; acetic acid [3-[2-(2,6-diketo-4-piperidyl)-1-hydroxy-ethyl]-4-keto-1,5-dimethyl-cyclohexyl] ester; acetic acid [3-[2-(2,6-dioxo-4-piperidinyl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl] ester; NCGC00246789-03![3-[2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32743	.	.	.	.	339.4	C17H25NO6	110	543	-0.1	24	2	6	5	"InChI=1S/C17H25NO6/c1-9-7-17(3,24-10(2)19)8-12(16(9)23)13(20)4-11-5-14(21)18-15(22)6-11/h9,11-13,20H,4-8H2,1-3H3,(H,18,21,22)"	CC1CC(CC(C1=O)C(CC2CC(=O)NC(=O)C2)O)(C)OC(=O)C	UFDHNJJHPSGMFX-UHFFFAOYSA-N
DG51266	"N-[1,2,10-trimethoxy-9-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide"	233866	"Colchicoside; NSC32992; N-[1,2,10-trimethoxy-9-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide; 477-29-2; N-[(7S)-1,2,10-trimethoxy-9-oxo-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide; N-[3-(Hexopyranosyloxy)-1,2,10-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide; NSC624672; CHEMBL1994730; NSC-32992; NCI60_002885; Benzo[a]heptalen-9(5H)-one,7-dihydro-2,3,10-trimethoxy-; N-[1,2,10-trimethoxy-9-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32992	.	.	.	.	547.5	C27H33NO11	173	1010	-1.1	39	5	11	7	"InChI=1S/C27H33NO11/c1-12(30)28-16-7-5-13-9-19(38-27-24(34)23(33)22(32)20(11-29)39-27)25(36-3)26(37-4)21(13)14-6-8-18(35-2)17(31)10-15(14)16/h6,8-10,16,20,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)"	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC4C(C(C(C(O4)CO)O)O)O	UXAFRQPVHYZDED-UHFFFAOYSA-N
DG51267	"N-[4-(1,3-benzothiazol-2-yl)phenyl]acetamide"	233871	"N-[4-(1,3-benzothiazol-2-yl)phenyl]acetamide; NSC33006; 6265-57-2; CHEMBL129236; NCIMech_000040; Oprea1_636874; SCHEMBL7105704; NIOSH/AB4542560; DTXSID40283693; ZINC1467822; 2-(4'-Acetamidophenyl)benzothiazole; ARK100634; BDBM50293121; CCG-35512; NSC-33006; Acetanilide, 4'-(2-benzothiazolyl)-; AKOS001084767; MCULE-8861306985; 2-[4-(Acetylamino)phenyl]benzothiazole; NCI60_002888; N-(4-Benzothiazol-2-yl-phenyl)-acetamide; AB45425600; Acetamide, N-(4-(2-benzothiazolyl)phenyl)-; N-(4-(benzo[d]thiazol-2-yl)phenyl)acetamide; Z28574852"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33006	.	.	.	.	268.3	C15H12N2OS	70.2	328	3.4	19	1	3	2	"InChI=1S/C15H12N2OS/c1-10(18)16-12-8-6-11(7-9-12)15-17-13-4-2-3-5-14(13)19-15/h2-9H,1H3,(H,16,18)"	CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2	SMYRLHVRGXBMTQ-UHFFFAOYSA-N
DG51268	1-(((1-Naphthylmethyl)thio)methyl)naphthalene	233907	"NSC33052; 2222-40-4; NSC-33052; 1-(((1-naphthylmethyl)thio)methyl)naphthalene; NCIStruc1_000984; NCIStruc2_001321; bis(1-naphthylmethyl) sulfide; SCHEMBL9456743; CHEMBL1370229; DTXSID60944870; NCI33052; ZINC1665359; CCG-36688; NCGC00013383; NCGC00013383-02; NCGC00096499-01; NCI60_002893; 1,1'-[Sulfanediylbis(methylene)]dinaphthalene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33052	.	.	.	.	314.4	C22H18S	25.3	331	6.4	23	0	1	4	"InChI=1S/C22H18S/c1-3-13-21-17(7-1)9-5-11-19(21)15-23-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-14H,15-16H2"	C1=CC=C2C(=C1)C=CC=C2CSCC3=CC=CC4=CC=CC=C43	DAQRZDDIMCDMPZ-UHFFFAOYSA-N
DG51269	methyl N-[6-(methoxycarbonylamino)pyren-1-yl]carbamate;methyl N-[8-(methoxycarbonylamino)pyren-1-yl]carbamate	233937	NSC33092; NSC-33092	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33092	.	.	.	.	696.7	C40H32N4O8	153	1010	.	52	4	8	8	"InChI=1S/2C20H16N2O4/c1-25-19(23)21-15-9-5-11-4-8-14-16(22-20(24)26-2)10-6-12-3-7-13(15)17(11)18(12)14;1-25-19(23)21-15-9-5-11-3-4-12-6-10-16(22-20(24)26-2)14-8-7-13(15)17(11)18(12)14/h2*3-10H,1-2H3,(H,21,23)(H,22,24)"	COC(=O)NC1=C2C=CC3=C4C2=C(C=CC4=C(C=C3)NC(=O)OC)C=C1.COC(=O)NC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)NC(=O)OC	VYGTVLSVQVMHHR-UHFFFAOYSA-N
DG51270	"N-[(5S)-3-Hydroxy-2-iodo-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl]acetamide"	234103	"38838-27-6; SCHEMBL6700084; NSC33408; ZINC4769604; NSC-33408; N-[(5S)-3-Hydroxy-2-iodo-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33408	.	.	.	.	483.3	C20H22INO5	77	521	3.3	27	2	5	4	"InChI=1S/C20H22INO5/c1-10(23)22-15-6-5-11-7-17(25-2)19(26-3)20(27-4)18(11)13-8-14(21)16(24)9-12(13)15/h7-9,15,24H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1"	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC(=C(C=C13)O)I)OC)OC)OC	NTJNSPIBKNYJBX-HNNXBMFYSA-N
DG51271	"n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine"	234474	"NSC34444; NSC-34444; 2501-06-6; n-(4-nitrophenyl)-1,3-benzothiazol-2-amine; N-(4-NITROPHENYL)BENZOTHIAZOL-2-AMINE; NCIStruc1_000540; NCIStruc2_000526; SCHEMBL3490813; CHEMBL1448896; DTXSID50283947; NCI34444; ZINC3850812; CCG-37818; NCGC00013395; AKOS000125580; N-(4-Nitrophenyl)benzothiazole-2-amine; NCGC00013395-02; NCGC00096511-01; NCI60_003058; DS-011621; 2-(4-(hydroxy(oxido)amino)anilino)-1,3-benzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34444	.	.	.	.	271.3	C13H9N3O2S	99	328	4.1	19	1	5	2	"InChI=1S/C13H9N3O2S/c17-16(18)10-7-5-9(6-8-10)14-13-15-11-3-1-2-4-12(11)19-13/h1-8H,(H,14,15)"	C1=CC=C2C(=C1)N=C(S2)NC3=CC=C(C=C3)[N+](=O)[O-]	ZFVXGNGPIXWVEL-UHFFFAOYSA-N
DG51272	3beta-Methoxy-androst-5-en-16beta-ol	234498	"UNII-Q69IBC7G0X; Q69IBC7G0X; NSC-34475; 3beta-Methoxyandrost-5-en-16beta-ol; 3beta-Methoxy-androst-5-en-16beta-ol; 6038-34-2; Androst-5-en-16.beta.-ol, 3.beta.-methoxy-; CHEBI:79869; NSC34475; ZINC4777689; Androst-5-en-16beta-ol,3beta-methoxy-; Androst-5-en-16beta-ol, 3beta-methoxy-; 3beta,16beta-Dihydroxyandrost-5-ene-3-methyl ether; Q27149009"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34475	.	.	.	.	304.5	C20H32O2	29.5	484	4.1	22	1	2	1	"InChI=1S/C20H32O2/c1-19-8-7-17-16(18(19)11-14(21)12-19)5-4-13-10-15(22-3)6-9-20(13,17)2/h4,14-18,21H,5-12H2,1-3H3/t14-,15-,16+,17-,18-,19+,20-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C2)O)CC=C4[C@@]3(CC[C@@H](C4)OC)C	OUMKTFKBXXEGOM-ZPNXQJJCSA-N
DG51273	n-Carbamoyl-2-iodoacetamide	234533	(Iodoacetyl)urea; 67172-14-9; n-carbamoyl-2-iodoacetamide; iodoacetylurea; NSC34541; N-(Iodoacetyl)urea #; SCHEMBL11454026; DTXSID50283967; ZINC1666994; N-CARBAMOYL-2-IODO-ACETAMIDE; NSC-34541; AKOS014117147; DS-002384	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34541	.	.	.	.	227.99	C3H5IN2O2	72.2	114	0	8	2	2	1	"InChI=1S/C3H5IN2O2/c4-1-2(7)6-3(5)8/h1H2,(H3,5,6,7,8)"	C(C(=O)NC(=O)N)I	LEAQQJITAXQHNQ-UHFFFAOYSA-N
DG51274	Caulophylline	234566	"Caulophylline; Caulophyllin; CYTISINE, 3-METHYL-; 63699-79-6; 12-Methylcytisine; NSC34656; CHEMBL66191; 486-86-2; CHEBI:3474; 11-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one; CYTISINE, 12-METHYL-; 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-methyl-, (1R)-; 3-Methyl-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one; Cytisine, 3-methyl; SCHEMBL10105087; BDBM50474187; NSC-34656; AKOS030541865; NCI60_003080; Q27106098; (1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.0^{2,7]trideca-2,4-dien-6-one; 3-Methyl-1,2,3,4,5,6-hexahydro-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one; 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-methyl-, (1R-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34656	.	.	.	.	204.27	C12H16N2O	23.6	359	0.7	15	0	2	0	"InChI=1S/C12H16N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H3"	CN1CC2CC(C1)C3=CC=CC(=O)N3C2	CULUKMPMGVXCEI-UHFFFAOYSA-N
DG51275	2-(4-Acetylamino-phenylsulfanyl)-5-nitro-furan	234636	MLS002607898; 6277-55-0; SMR001526660; NSC34864; 2-(4-acetylamino-phenylsulfanyl)-5-nitro-furan; N-[4-(5-nitrofuran-2-yl)sulfanylphenyl]acetamide; cid_234636; CHEMBL1734467; BDBM80057; DTXSID60978433; HMS3078F11; ZINC1667255; NSC-34864; N-[4-[(5-nitro-2-furyl)thio]phenyl]acetamide; N-[4-[(5-nitro-2-furanyl)thio]phenyl]acetamide; N-[4-(5-nitrofuran-2-yl)sulfanylphenyl]ethanamide; N-{4-[(5-Nitrofuran-2-yl)sulfanyl]phenyl}ethanimidic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34864	.	.	.	.	278.29	C12H10N2O4S	113	339	2.7	19	1	5	3	"InChI=1S/C12H10N2O4S/c1-8(15)13-9-2-4-10(5-3-9)19-12-7-6-11(18-12)14(16)17/h2-7H,1H3,(H,13,15)"	CC(=O)NC1=CC=C(C=C1)SC2=CC=C(O2)[N+](=O)[O-]	NPAJZEQRHDGSIE-UHFFFAOYSA-N
DG51276	1-(1-Hydroxynaphthalen-2-yl)heptan-1-one	234660	1-(1-hydroxynaphthalen-2-yl)heptan-1-one; 67013-66-5; NSC34949; CHEMBL1996960; DTXSID60284026; ZINC1667325; NSC-34949; NCI60_003115	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34949	.	.	.	.	256.339	C17H20O2	37.3	287	5.5	19	1	2	6	"InChI=1S/C17H20O2/c1-2-3-4-5-10-16(18)15-12-11-13-8-6-7-9-14(13)17(15)19/h6-9,11-12,19H,2-5,10H2,1H3"	CCCCCCC(=O)C1=C(C2=CC=CC=C2C=C1)O	UORFSHNNAGRJCM-UHFFFAOYSA-N
DG51277	"(2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol"	234810	"NSC35400; NSC-35400; CHEMBL1416389; NCI35400; CCG-37627; NCGC00013404; NCGC00013404-02; NCGC00096519-01; NCI60_003180; 2,4-dichlorobenzyl imidothiocarbamate compound with 3,4,6-trichloro-2-(hydroxy(oxido)amino)phenol (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35400	.	.	.	.	477.6	C14H10Cl5N3O3S	141	399	.	26	3	5	3	"InChI=1S/C8H8Cl2N2S.C6H2Cl3NO3/c9-6-2-1-5(7(10)3-6)4-13-8(11)12;7-2-1-3(8)6(11)5(4(2)9)10(12)13/h1-3H,4H2,(H3,11,12);1,11H"	C1=CC(=C(C=C1Cl)Cl)CSC(=N)N.C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])O)Cl	VYAQZAAUDLMLEH-UHFFFAOYSA-N
DG51278	Podophyllotoxin bromide	234820	NSC35468; Podophyllotoxin bromide; NSC-35468	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35468	.	.	.	.	477.3	C22H21BrO7	72.4	633	3.5	30	0	7	4	"InChI=1S/C22H21BrO7/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20H,8-9H2,1-3H3/t13-,18+,19-,20 /m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)C(C4=CC5=C(C=C24)OCO5)Br	VNDCSULMOTZMNT-KSRYTWCQSA-N
DG51279	"Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione"	234858	"6270-35-5; NSC35580; UNII-QLZ45PX3T1; QLZ45PX3T1; Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione; Spiro[benzothiazole-2(3H),2'(1'H)-pyrimidine]-4',5',6'(3'H)-trione; NSC 35580; CHEMBL1998797; DTXSID20211777; ZINC1668251; NSC-35580; NCI60_003207; spiro[3H-1,3-benzothiazole-2,2'-hexahydropyrimidine]-4',5',6'-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35580	.	.	.	.	249.25	C10H7N3O3S	113	392	1	17	3	5	0	"InChI=1S/C10H7N3O3S/c14-7-8(15)12-10(13-9(7)16)11-5-3-1-2-4-6(5)17-10/h1-4,11H,(H,12,15)(H,13,16)"	C1=CC=C2C(=C1)NC3(S2)NC(=O)C(=O)C(=O)N3	CGJVHUCSRFVPHE-UHFFFAOYSA-N
DG51280	"Metanilic acid, compd. with 1-[(2-diethylamino)ethyl]amino]-4-methylthioxanthen-9-one (1:1)"	234864	"16170-84-6; NSC35587; DTXSID40284100; Leucanthone, m-aminobenzenesulfonate; NSC-35587; Thioxanthen-9-one, metanilate (1:1); Metanilic acid, compd. with 1-[(2-diethylamino)ethyl]amino]-4-methylthioxanthen-9-one (1:1); Thioxanthen-9-one, monometanilate(1:1); 9H-Thioxanthen-9-one, mono(3-aminobenzenesulfonate); Thioxanthen-9-one, compd. with m-aminobenzenesulfonic acid; 3-Aminobenzene-1-sulfonic acid--1-{[2-(diethylamino)ethyl]amino}-4-methyl-9H-thioxanthen-9-one (1/1); Benzenesulfonic acid, compd. with 1-[(2-diethylamino)ethyl]amino]-4-methyl-9H-thioxanthen-9-one (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35587	.	.	.	.	513.7	C26H31N3O4S2	146	644	.	35	3	8	7	"InChI=1S/C20H24N2OS.C6H7NO3S/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20;7-5-2-1-3-6(4-5)11(8,9)10/h6-11,21H,4-5,12-13H2,1-3H3;1-4H,7H2,(H,8,9,10)"	CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.C1=CC(=CC(=C1)S(=O)(=O)O)N	WVLAPRLFSRGXRA-UHFFFAOYSA-N
DG51281	"4-ethoxy-9-(4-ethoxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	234897	"6270-40-2; NSC35729; CHEMBL1990662; DTXSID50978321; NSC-35729; 10-Ethoxy-5-(4-ethoxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35729	.	.	.	.	456.5	C25H28O8	81.7	673	4	33	0	8	7	"InChI=1S/C25H28O8/c1-5-29-22-16-7-14-11-31-25(26)21(14)20(15(16)10-19-24(22)33-12-32-19)13-8-17(27-3)23(30-6-2)18(9-13)28-4/h8-10,14,20-21H,5-7,11-12H2,1-4H3"	CCOC1=C2CC3COC(=O)C3C(C2=CC4=C1OCO4)C5=CC(=C(C(=C5)OC)OCC)OC	NXYKCHNYALSBOK-UHFFFAOYSA-N
DG51282	Erythritol aziridine	234991	"ERYTHRITOL AZIRIDINE; NSC-41458; NCIStruc1_001623; NCIStruc2_000342; 21401-28-5; CHEMBL1741553; NCI41458; NSC35915; ZINC1668477; meso-2, 1,4-bis(1-aziridinyl)-; CCG-38256; MP 427; NCGC00013484; NSC-35915; 2, 1,4-bis(1-aziridinyl)-, meso-; NCGC00013484-02; NCGC00096598-01; 2, 1,4-bis(1-aziridinyl)-, (R*,S*)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35915	.	.	.	.	172.22	C8H16N2O2	46.5	139	-1.4	12	2	4	5	"InChI=1S/C8H16N2O2/c11-7(5-9-1-2-9)8(12)6-10-3-4-10/h7-8,11-12H,1-6H2/t7-,8+"	C1CN1C[C@H]([C@H](CN2CC2)O)O	COMAQBNTHGBLNQ-OCAPTIKFSA-N
DG51283	"4-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-1,4-thiazinane 1,1-dioxide"	235012	"NSC35949; MLS002702840; NSC-35949; NCIMech_000850; NCIStruc1_001070; NCIStruc2_001056; CHEMBL1406556; SCHEMBL18134603; NCI35949; ZINC1668497; CCG-36119; CCG-37630; NCGC00013416; 4-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-1,4-thiazinane 1,1-dioxide; 1H-Indole, 3,3'-[2-[2-(1,1-dioxido-4-thiomorpholinyl)phenyl]ethylidene]bis-; NCGC00013416-02; NCGC00096531-01; NCI60_003267; SMR001566664; 3-(2-(2-(1,1-dioxido-4-thiomorpholinyl)phenyl)-1-(1H-indol-3-yl)ethyl)-1H-indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35949	.	.	.	.	469.6	C28H27N3O2S	77.3	752	5.1	34	2	3	5	"InChI=1S/C28H27N3O2S/c32-34(33)15-13-31(14-16-34)28-12-6-1-7-20(28)17-23(24-18-29-26-10-4-2-8-21(24)26)25-19-30-27-11-5-3-9-22(25)27/h1-12,18-19,23,29-30H,13-17H2"	C1CS(=O)(=O)CCN1C2=CC=CC=C2CC(C3=CNC4=CC=CC=C43)C5=CNC6=CC=CC=C65	GGRMGYJJBCRHKM-UHFFFAOYSA-N
DG51284	"Isothiourea, 2,4-dinitro-"	235013	"NSC35950; NSC-35950; Isothiourea, 2,4-dinitro-; CHEMBL1327483; NCI35950; CCG-37376; NCGC00013417; Carbamimidothioic acid, 2,4-dinitro-; NCGC00013417-02; NCGC00096532-01; NCI60_003268; (4-chloro-1-naphthyl)methyl imidothiocarbamate compound with 2,4-bis(hydroxy(oxido)amino)phenol (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35950	.	.	.	.	434.9	C18H15ClN4O5S	187	479	.	29	3	7	3	"InChI=1S/C12H11ClN2S.C6H4N2O5/c13-11-6-5-8(7-16-12(14)15)9-3-1-2-4-10(9)11;9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-6H,7H2,(H3,14,15);1-3,9H"	C1=CC=C2C(=C1)C(=CC=C2Cl)CSC(=N)N.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O	MXBNXBMVIBIEQE-UHFFFAOYSA-N
DG51285	"Naphtho[2,3-dioxole-6,7-dimethanol, 5,6,7,8-tetrahydro-5-hydroxy-8-(3,4,5-trimethoxyphenyl)-, (higher melting isomer)"	235235	"NSC36373; 78339-51-2; NSC36372; NSC-36372; NSC-36373; Naphtho[2,3-dioxole-6,7-dimethanol, 5,6,7,8-tetrahydro-5-hydroxy-8-(3,4,5-trimethoxyphenyl)-, (higher melting isomer); Naphtho[2,3-dioxole-6,7-dimethanol, 5,6,7,8-tetrahydro-5-hydroxy-8-(3,4,5-trimethoxyphenyl)-, higher melting isomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36373	.	.	.	.	418.4	C22H26O8	107	547	2	30	3	8	6	"InChI=1S/C22H26O8/c1-26-18-4-11(5-19(27-2)22(18)28-3)20-12-6-16-17(30-10-29-16)7-13(12)21(25)15(9-24)14(20)8-23/h4-7,14-15,20-21,23-25H,8-10H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2C(C(C(C3=CC4=C(C=C23)OCO4)O)CO)CO	HNOIIHCYJKCZRK-UHFFFAOYSA-N
DG51286	NSC36413	235244	"4-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-{4-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy}phenol; Dauricine; 524-17-4; NSC36413; 4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-[4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]phenol; 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenol; 4-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-{4-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy}phenol; Menispermum dauricum DC Extract; CHEMBL1995008; DTXSID90966808; BCP30798; NSC-36413; AKOS015897174; LS-15406; NCI60_003351; DB-050102; A870987; 4-[[(1R)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]-2-[4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenol; Phenol,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]-2-[4-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]-, [R-(R*,R*)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36413	.	.	.	.	624.8	C38H44N2O6	72.9	933	6.7	46	1	8	10	"InChI=1S/C38H44N2O6/c1-39-15-13-26-20-35(42-3)37(44-5)22-29(26)31(39)17-24-7-10-28(11-8-24)46-34-19-25(9-12-33(34)41)18-32-30-23-38(45-6)36(43-4)21-27(30)14-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3"	CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC	AQASRZOCERRGBL-UHFFFAOYSA-N
DG51287	"8-[(4-tert-butylphenoxy)methyl]-1,7-dihydro-1H-purine-2,6-dione"	235292	"MLS000738125; NSC36525; Oprea1_273868; BDBM7009; cid_235292; CHEMBL1494091; HMS2745M22; NSC-36525; ZINC13597432; SMR000393888; 8-[(4-tert-butylphenoxy)methyl]-1,7-dihydro-1H-purine-2,6-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36525	.	.	.	.	342.4	C18H22N4O3	78.5	525	2.8	25	1	4	4	"InChI=1S/C18H22N4O3/c1-18(2,3)11-6-8-12(9-7-11)25-10-13-19-14-15(20-13)21(4)17(24)22(5)16(14)23/h6-9H,10H2,1-5H3,(H,19,20)"	CC(C)(C)C1=CC=C(C=C1)OCC2=NC3=C(N2)C(=O)N(C(=O)N3C)C	FXCSOKVUMFCIKV-UHFFFAOYSA-N
DG51288	NSC36806	235431	"2,2,21,21-Tetraoxo-2lambda6,21lambda6-dithia-7,10,13,16,26,29,32,35-octazaheptacyclo[34.2.2.23,6.210,13.217,20.222,25.229,32]pentaconta-1(38),3(50),4,6(49),17(46),18,20(45),22,24,36,39,43-dodecaene-8,15,27,34-tetrone; NSC36806; NSC-36806; 6266-83-7; NCIStruc1_000718; NCIStruc2_000267; CHEMBL1371838; DTXSID70284330; NCI36806; CCG-38226; NCGC00013425; ZINC95544209; NCGC00013425-02; NCGC00096540-01; NCI60_003385; 2,21-dithia-7,10,13,16,26,29,32,35-octaazaheptacyclo[34.2.2.2~3,6~.2~10,13~.2~17,20~.2~22,25~.2~29,32~]pentaconta-1(38),3,5,17,19,22,24,36,39,43,45,49-dodecaene-8,15,27,34-tetrone 2,2,21,21-tetraoxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36806	.	.	.	.	829	C40H44N8O8S2	214	1410	1.5	58	4	12	0	"InChI=1S/C40H44N8O8S2/c49-37-25-45-17-19-46(20-18-45)26-39(51)43-31-5-13-35(14-6-31)58(55,56)36-15-7-32(8-16-36)44-40(52)28-48-23-21-47(22-24-48)27-38(50)42-30-3-11-34(12-4-30)57(53,54)33-9-1-29(41-37)2-10-33/h1-16H,17-28H2,(H,41,49)(H,42,50)(H,43,51)(H,44,52)"	C1CN2CCN1CC(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)CN5CCN(CC5)CC(=O)NC6=CC=C(C=C6)S(=O)(=O)C7=CC=C(C=C7)NC(=O)C2	BAJKVMCRMMOUKL-UHFFFAOYSA-N
DG51289	2 ClAdo	235481	"Cl AS; 2 ClAdo; MLS002693982; 9.beta.-D-Arabinofuranosyl-2-chloroadenine; Cl-Ado; (2S,3R,4S,5R)-2-(6-Amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; 2015222-35-0; cid_8974; Adenine, 9-.beta.-D-arabinofuranosyl-2-chloro-; NCIOpen2_008559; SCHEMBL2446376; 2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol; SCHEMBL19953842; 9H-Purin-6-amine, 9-.beta.-D-arabinofuranosyl-2-chloro-; HMS3371F13; HMS3393B22; BCP31138; NSC36896; NSC76356; STR04265; BDBM50008369; NSC-36896; NSC-76356; NSC105290; AKOS025401466; AC-1866; NSC-105290; SMR001559917; SY017132; FT-0601308; FT-0689532; FT-0774789; FT-0774797; 2-Cl-Ado;2-CADO;6-Amino-2-chloropurine Ribosid; A808547; L001134; 2-(6-amino-2-chloro-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol; 2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 2-(6-azanyl-2-chloranyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(2-CADO); (2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol; 10147-12-3; 2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(2-chloroadenosine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76356	.	.	.	.	301.69	C10H12ClN5O4	140	367	-0.1	20	4	8	2	"InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)"	C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)Cl)N	BIXYYZIIJIXVFW-UHFFFAOYSA-N
DG51290	3-Hydroxy-n-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide	235600	"3-hydroxy-n-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide; 450-33-9; NSC37186; SCHEMBL9322590; DTXSID30963316; ZINC995516; NSC-37186; alpha, alpha, alpha-Trifluoro-3-hydroxy-2-naphtho-m-toluidide; 3-Hydroxy-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboximidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37186	.	.	.	.	331.3	C18H12F3NO2	49.3	454	5.1	24	2	5	2	"InChI=1S/C18H12F3NO2/c19-18(20,21)13-6-3-7-14(10-13)22-17(24)15-8-11-4-1-2-5-12(11)9-16(15)23/h1-10,23H,(H,22,24)"	C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=CC(=C3)C(F)(F)F)O	TYINNZKCWQSFLU-UHFFFAOYSA-N
DG51291	Tricinolone acetophenonide	235856	"Tricinolone acetophenonide; MLS000738166; NSC37641; 3092-82-8; NSC-37641; CHEMBL1610591; SCHEMBL15599146; HMS2758A21; NCI60_003543; SMR000393925; Pregn-1,20-dione, 9-fluoro-11,21-dihydroxy-16,17-[(1-phenylethylidine)bis(oxy)]-, (11.beta.,16.alpha.)-; Pregn-1,20-dione, 9-fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-,cyclic 16,17-acetal with acetophenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37641	.	.	.	.	496.6	C29H33FO6	93.1	1050	3.6	36	2	7	3	"InChI=1S/C29H33FO6/c1-25-12-11-19(32)13-18(25)9-10-20-21-14-24-29(23(34)16-31,26(21,2)15-22(33)28(20,25)30)36-27(3,35-24)17-7-5-4-6-8-17/h4-8,11-13,20-22,24,31,33H,9-10,14-16H2,1-3H3/t20-,21-,22-,24+,25-,26-,27 ,28-,29+/m0/s1"	C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C5=CC=CC=C5)C(=O)CO)CCC6=CC(=O)C=C[C@@]63C)F)O	HCKFPALGXKOOBK-ZPHQKVKWSA-N
DG51292	"2-(1,3-oxazol-2-ylamino)-N-[4-[4-[[2-(1,3-oxazol-2-ylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide"	235925	NSC37815; SCHEMBL14679053; ZINC1670245; NSC-37815	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37815	.	.	.	.	496.5	C22H20N6O6S	177	748	2	35	4	10	10	"InChI=1S/C22H20N6O6S/c29-19(13-25-21-23-9-11-33-21)27-15-1-5-17(6-2-15)35(31,32)18-7-3-16(4-8-18)28-20(30)14-26-22-24-10-12-34-22/h1-12H,13-14H2,(H,23,25)(H,24,26)(H,27,29)(H,28,30)"	C1=CC(=CC=C1NC(=O)CNC2=NC=CO2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CNC4=NC=CO4	RPKOHKQZDIKLQW-UHFFFAOYSA-N
DG51293	2-(4-Chlorophenyl)-4-quinolinol	236003	MLS000738171; 6337-51-5; CHEMBL1312099; 2-(4-chlorophenyl)-4-quinolinol; 2-(4-Chlorophenyl)quinolin-4-ol; NSC38007; SCHEMBL10610835; 2-(4-chlorophenyl)-4-quinolone; DTXSID80284609; HMS2743A03; ZINC8615531; BDBM50430810; NSC-38007; AKOS015965684; 2-(p-Chlorophenyl)quinolin-4(1H)-one; 2-(4-chlorophenyl)-4(1H)-quinolinone; 2-(4-Chloro-phenyl)-1H-quinolin-4-one; SMR000393929	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38007	.	.	.	.	255.7	C15H10ClNO	29.1	358	3.8	18	1	2	1	"InChI=1S/C15H10ClNO/c16-11-7-5-10(6-8-11)14-9-15(18)12-3-1-2-4-13(12)17-14/h1-9H,(H,17,18)"	C1=CC=C2C(=C1)C(=O)C=C(N2)C3=CC=C(C=C3)Cl	XPVZKRRTCHLFRZ-UHFFFAOYSA-N
DG51294	4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate	236063	MLS002608073; 6954-34-3; SMR001526824; 4-chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate; NSC38086; (4-chlorophenyl) 3-methyl-5-nitroimidazole-4-sulfonate; cid_236063; CHEMBL1881622; BDBM93495; DTXSID70284633; HMS3078D16; ZINC1670440; NSC-38086; DS-005578; (4-chlorophenyl) 3-methyl-5-nitro-imidazole-4-sulfonate; 5-(4-chlorophenoxy)sulfonyl-1-methyl-4-nitro-imidazole; 3-methyl-5-nitro-4-imidazolesulfonic acid (4-chlorophenyl) ester; 3-methyl-5-nitro-imidazole-4-sulfonic acid (4-chlorophenyl) ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38086	.	.	.	.	317.71	C10H8ClN3O5S	115	455	2.4	20	0	6	3	"InChI=1S/C10H8ClN3O5S/c1-13-6-12-9(14(15)16)10(13)20(17,18)19-8-4-2-7(11)3-5-8/h2-6H,1H3"	CN1C=NC(=C1S(=O)(=O)OC2=CC=C(C=C2)Cl)[N+](=O)[O-]	VCBIEXLZPZYLOK-UHFFFAOYSA-N
DG51295	Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate	236065	MLS002608076; 6339-64-6; SMR001526827; naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate; NSC38090; naphthalen-1-yl 3-methyl-5-nitroimidazole-4-sulfonate; cid_236065; CHEMBL1700000; BDBM93496; DTXSID90284635; HMS3080B05; ZINC1670444; NSC-38090; AKOS033458940; MCULE-8729708772; DS-003110; 1-methyl-5-naphthalen-1-yloxysulfonyl-4-nitro-imidazole; naphthalen-1-yl 3-methyl-5-nitro-imidazole-4-sulfonate; Z1603789400; 3-methyl-5-nitro-4-imidazolesulfonic acid 1-naphthalenyl ester; 3-methyl-5-nitro-imidazole-4-sulfonic acid 1-naphthyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38090	.	.	.	.	333.32	C14H11N3O5S	115	544	2.9	23	0	6	3	"InChI=1S/C14H11N3O5S/c1-16-9-15-13(17(18)19)14(16)23(20,21)22-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3"	CN1C=NC(=C1S(=O)(=O)OC2=CC=CC3=CC=CC=C32)[N+](=O)[O-]	SFAMFMRSBAURBQ-UHFFFAOYSA-N
DG51296	"3-(2,5-Dioxo-4-phenylimidazolidin-4-yl)propanoic acid"	236331	"3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanoic acid; 30741-72-1; 6939-92-0; NSC38743; 3-(2,5-DIOXO-4-PHENYL-IMIDAZOLIDIN-4-YL)PROPIONIC ACID; 3-(2,5-DIOXO-4-PHENYL-IMIDAZOLIDIN-4-YL)-PROPIONIC ACID; MLS000736986; MFCD08445744; 3-(2,5-DIOXO-4-PHENYL-IMIDAZOLIDIN-4-YL)PROPIONICACID; 3-(2,5-dioxo-4-phenyl-4-imidazolidinyl)propanoic acid; NSC-38743; CHEMBL1736663; SCHEMBL11010651; HMS2757I10; BCP31913; 3255AB; 8250AE; AKOS000596429; AKOS016344478; MCULE-3252795475; SB40390; AM806569; DS-17947; NCI60_003693; SMR000393944; BB 0261746; CS-0149771; FT-0677972; 2,5-Dioxo-4-phenyl-4-imidazolidinepropionic acid; A876101; 4-Imidazolidinepropanoic acid, 2,5-dioxo-4-phenyl-; 3-(2,5-Dioxo-4-phenyliMidazolidin-4-yl)propanoic acid                        2,5-Dioxo-4-phenyl-4-imidazolidinepropionic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38743	.	.	.	.	248.23	C12H12N2O4	95.5	376	0.5	18	3	4	4	"InChI=1S/C12H12N2O4/c15-9(16)6-7-12(8-4-2-1-3-5-8)10(17)13-11(18)14-12/h1-5H,6-7H2,(H,15,16)(H2,13,14,17,18)"	C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)CCC(=O)O	RUWPCCQWDIAGAJ-UHFFFAOYSA-N
DG51297	2-(2-Nitrophenyl)butanedioic acid	236350	NSC38777; 6332-94-1; 2-(2-nitrophenyl)butanedioic acid; NSC-38777; o-nitrophenyl succinic acid; Oprea1_199704; Oprea1_491853; SCHEMBL7263686; CHEMBL1991276; DTXSID70284739; AKOS000505156; AKOS030483667; NCI60_003694; 2-(2-(hydroxy(oxido)amino)phenyl)succinic acid; SR-01000357933; SR-01000357933-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38777	.	.	.	.	239.18	C10H9NO6	120	323	0.7	17	2	6	4	"InChI=1S/C10H9NO6/c12-9(13)5-7(10(14)15)6-3-1-2-4-8(6)11(16)17/h1-4,7H,5H2,(H,12,13)(H,14,15)"	C1=CC=C(C(=C1)C(CC(=O)O)C(=O)O)[N+](=O)[O-]	REWALNXOIYDJFF-UHFFFAOYSA-N
DG51298	Bis(2-nitro-4-(trifluoromethyl)phenyl)sulfane	236554	"CHEMBL204687; 365-55-9; NSC39135; DTXSID10284814; ZINC1671152; BDBM50182125; NSC-39135; STK213636; AKOS003671425; MCULE-9314199041; bis(2-nitro-4-(trifluoromethyl)phenyl)sulfane; 1,1'-sulfanediylbis[2-nitro-4-(trifluoromethyl)benzene]; 2-nitro-1-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-4-(trifluoromethyl)benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39135	.	.	.	.	412.27	C14H6F6N2O4S	117	514	5.4	27	0	11	2	"InChI=1S/C14H6F6N2O4S/c15-13(16,17)7-1-3-11(9(5-7)21(23)24)27-12-4-2-8(14(18,19)20)6-10(12)22(25)26/h1-6H"	C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]	JZOKZEROYRPYIF-UHFFFAOYSA-N
DG51299	"4-(Dimethylamino)-1,3-diphenylbutan-2-one"	236584	MLS002608145; 76932-64-4; NSC39199; CHEMBL1863734; DTXSID40284827; HMS3078N24; NSC-39199; SMR001526896	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39199	.	.	.	.	267.4	C18H21NO	20.3	288	3.2	20	0	2	6	"InChI=1S/C18H21NO/c1-19(2)14-17(16-11-7-4-8-12-16)18(20)13-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3"	CN(C)CC(C1=CC=CC=C1)C(=O)CC2=CC=CC=C2	NIISBOCIVFUFDB-UHFFFAOYSA-N
DG51300	"2,6-Bis(piperidin-1-ylmethyl)cyclohexanone"	236587	"NSC39202; NSC650464; 2,6-bis(piperidin-1-ylmethyl)cyclohexanone; NCIMech_000146; Oprea1_642178; Oprea1_823005; IFLab1_003675; CHEMBL1994648; NSC-39202; STK968004; AKOS022094642; 2,6-Bis[piperidinomethyl]cyclohexanone; Cyclohexanone,6-bis(piperidinomethyl)-; MCULE-7585559488; IDI1_009782; 2,6-bis(1-piperidylmethyl)cyclohexanone; NCI60_003703; NCI60_017560; 2,6-Bis(1-piperidinylmethyl)cyclohexanone hydrobromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39202	.	.	.	.	292.5	C18H32N2O	23.6	302	2.8	21	0	3	4	"InChI=1S/C18H32N2O/c21-18-16(14-19-10-3-1-4-11-19)8-7-9-17(18)15-20-12-5-2-6-13-20/h16-17H,1-15H2"	C1CCN(CC1)CC2CCCC(C2=O)CN3CCCCC3	UZXQQNLALYSWNF-UHFFFAOYSA-N
DG51301	5-(2'-Chloroethyl)aminouracil	236633	"5-(2'-chloroethyl)aminouracil; 65-68-9; 5-(2-chloroethylamino)-1H-pyrimidine-2,4-dione; 5-[(2-chloroethyl)amino]pyrimidine-2,4(1h,3h)-dione; 5-((2-Chloroethyl)amino)pyrimidine-2,4(1H,3H)-dione; NSC39277; CHEMBL1985922; DTXSID40284842; ZINC1671278; NSC-39277; AKOS006272479; NCI60_003709; DB-054834; FT-0631289; A835191; 5-(2-chloroethylamino)pyrimidine-2,4(1H,3H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39277	.	.	.	.	189.6	C6H8ClN3O2	70.2	239	-0.2	12	3	3	3	"InChI=1S/C6H8ClN3O2/c7-1-2-8-4-3-9-6(12)10-5(4)11/h3,8H,1-2H2,(H2,9,10,11,12)"	C1=C(C(=O)NC(=O)N1)NCCCl	WEGIIMNVVVHGKX-UHFFFAOYSA-N
DG51302	"2-Chloro-3-[3-(propan-2-ylamino)propylamino]naphthalene-1,4-dione"	236655	NSC39351; ZINC1671320; NSC-39351	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39351	.	.	.	.	306.79	C16H19ClN2O2	58.2	446	3.8	21	2	4	6	"InChI=1S/C16H19ClN2O2/c1-10(2)18-8-5-9-19-14-13(17)15(20)11-6-3-4-7-12(11)16(14)21/h3-4,6-7,10,18-19H,5,8-9H2,1-2H3"	CC(C)NCCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl	WOSOYAXCYXWQSQ-UHFFFAOYSA-N
DG51303	"9H-Purine, 6-(allylthio)-9-beta-D-ribofuranosyl-"	236667	"13153-19-0; NSC39367; 9-pentofuranosyl-6-(prop-2-en-1-ylsulfanyl)-9h-purine; 9H-Purine, 6-(allylthio)-9-.beta.-D-ribofuranosyl-; 9H-Purine,6-(2-propenylthio)-9-.beta.-D-ribfuranosyl-; CHEMBL1993255; SCHEMBL19410852; DTXSID00284863; NSC-39367; NCI60_003714"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39367	.	.	.	.	324.36	C13H16N4O4S	139	404	0.8	22	3	8	5	"InChI=1S/C13H16N4O4S/c1-2-3-22-12-8-11(14-5-15-12)17(6-16-8)13-10(20)9(19)7(4-18)21-13/h2,5-7,9-10,13,18-20H,1,3-4H2"	C=CCSC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O	MESFUVRJGABYOW-UHFFFAOYSA-N
DG51304	"2-(6-Ethylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol"	236668	"SRI 1215; 2-(6-ethylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 13286-04-9; 9H-Purine, 6-(ethylthio)-9-beta-D-ribofuranosyl-; 6-Ethylthiopurine riboside; 9H-Purine, 6-(ethylthio)-9-.beta.-D-ribofuranosyl-; SCHEMBL21192198; DTXSID00927844; NSC39368; NSC-39368; 6-(ethylsulfanyl)-9-pentofuranosyl-9H-purine; (2R,3R,4S,5R)-2-(6-ethylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39368	.	.	.	.	312.35	C12H16N4O4S	139	366	0.5	21	3	8	4	"InChI=1S/C12H16N4O4S/c1-2-21-11-7-10(13-4-14-11)16(5-15-7)12-9(19)8(18)6(3-17)20-12/h4-6,8-9,12,17-19H,2-3H2,1H3"	CCSC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O	SXDRPWJMWHDCLL-UHFFFAOYSA-N
DG51305	"(1S,2S,5S,6S,9S,10R,13S)-1,5,6-trimethyl-17-phenyl-16,18-diazapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15,17,19-trien-6-ol"	236853	NSC39863; NSC-39863; CHEMBL1993606; NCI60_003722	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39863	.	.	.	.	416.6	C28H36N2O	46	691	6.1	31	1	3	1	"InChI=1S/C28H36N2O/c1-26-16-19-17-29-25(18-7-5-4-6-8-18)30-24(19)15-20(26)9-10-21-22(26)11-13-27(2)23(21)12-14-28(27,3)31/h4-8,17,20-23,31H,9-16H2,1-3H3/t20-,21+,22-,23-,26-,27-,28-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC5=CN=C(N=C5C4)C6=CC=CC=C6)C	PHBHRCDYKYBQFC-RSFKWRCVSA-N
DG51306	5-Chloro-6-nitroquinoline	236923	"5-chloro-6-nitroquinoline; 58416-32-3; NSC39969; SCHEMBL358828; Quinoline, 5-chloro-6-nitro-; DTXSID40284963; ZINC1671642; MFCD18448461; NSC-39969; SB70922; DB-087489"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39969	.	.	.	.	208.6	C9H5ClN2O2	58.7	231	2.6	14	0	3	0	InChI=1S/C9H5ClN2O2/c10-9-6-2-1-5-11-7(6)3-4-8(9)12(13)14/h1-5H	C1=CC2=C(C=CC(=C2Cl)[N+](=O)[O-])N=C1	UEYYCZFZTFTKAY-UHFFFAOYSA-N
DG51307	10-Methyl-7h-benzo[c]phenothiazine	237061	10-methyl-7h-benzo[c]phenothiazine; MLS000737012; 6314-36-9; SR-01000767900; SR-01000767900-3; NSC40273; cid_237061; CHEMBL1300506; BDBM65957; DTXSID20285034; HMS2768G07; ZINC1671866; NSC-40273; SMR000393968	.	.	Investigative Drug(s)	Investigative	Small molecular drug	40273	.	.	.	.	263.4	C17H13NS	37.3	331	5.2	19	1	2	0	"InChI=1S/C17H13NS/c1-11-6-8-14-16(10-11)19-17-13-5-3-2-4-12(13)7-9-15(17)18-14/h2-10,18H,1H3"	CC1=CC2=C(C=C1)NC3=C(S2)C4=CC=CC=C4C=C3	FOEVXYGXVGBVKD-UHFFFAOYSA-N
DG51308	"2,2'-Piperazine-1,4-diylbis(3-chloronaphthoquinone)"	237101	"2,2'-Piperazine-1,4-diylbis(3-chloronaphthoquinone); NSC40341; 6312-47-6; CHEMBL1981644; NSC 40341; NCIMech_000086; DTXSID10212455; ZINC1671927; BDBM50548269; CCG-35269; NSC-40341; NCI60_003801; 1, 2,2'-(1,4-piperazinediyl)bis[3-chloro-; 2-chloro-3-[4-(3-chloro-1,4-dioxo-2-naphthyl)piperazin-1-yl]naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	40341	.	.	.	.	467.3	C24H16Cl2N2O4	74.8	872	4.8	32	0	6	2	"InChI=1S/C24H16Cl2N2O4/c25-17-19(23(31)15-7-3-1-5-13(15)21(17)29)27-9-11-28(12-10-27)20-18(26)22(30)14-6-2-4-8-16(14)24(20)32/h1-8H,9-12H2"	C1CN(CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl	LLEAFADFRDXABW-UHFFFAOYSA-N
DG51309	"2-Chloro-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione"	237102	"6312-48-7; 2-Chloro-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione; 2-chloro-3-(4-methylpiperazino)naphthoquinone; MLS002608219; NSC40342; 2-chloro-3-(4-methylpiperazin-1-yl)-1,4-dihydronaphthalene-1,4-dione; 2-Chloro-3-(4-methylpiperazin-1-yl)naphthoquinone; Naphthoquinone, 2-chloro-3-(4-methylpiperazin-1-yl)-; SMR001526970; 2-chloro-3-(4-methylpiperazin-1-yl)-1,4-naphthoquinone; cid_237102; SCHEMBL8651868; CHEMBL1163377; BDBM80987; DTXSID70212456; HMS3078I08; MFCD00948957; NSC 40342; NSC-40342; STK535899; ZINC20025244; AKOS005467112; CCG-279198; MCULE-2655258959; CS-0322775; 11T-0655; 2-chloro-3-(4-methylpiperazino)-1,4-naphthoquinone; 2-Chloro-3-(4-methylpiperizino)-1,4-naphthoquinone; 2-chloro-3-(4-methyl-1-piperazinyl)naphthalene-1,4-dione; 3-chloro-2-(4-methylpiperazin-1-yl)-1,4-naphthoquinone; 2-chloranyl-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	40342	.	.	.	.	290.74	C15H15ClN2O2	40.6	467	2.4	20	0	4	1	"InChI=1S/C15H15ClN2O2/c1-17-6-8-18(9-7-17)13-12(16)14(19)10-4-2-3-5-11(10)15(13)20/h2-5H,6-9H2,1H3"	CN1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl	GUNUJEHGUYLPRR-UHFFFAOYSA-N
DG51310	"2,4,5-Trichloropyrimidine"	237259	"2,4,5-Trichloropyrimidine; 5750-76-5; 2,5,6-Trichloropyrimidine; 2,4,5-Trichloro-pyrimidine; trichloropyrimidine; NSC40593; Pyrimidine, 2,4,5-trichloro-; MFCD03788200; NSC 40593; 2,5-Trichloropyrimidine; 2,4,5 trichloropyrimidine; Pyrimidine,4,5-trichloro-; 2,4,5-trichloro pyrimidine; 2,4,5-Trichloropyrimidine;; SCHEMBL155314; 2, 4, 5-trichloropyrimidine; 2,4,5-Trichloro -pyrimidine; 2,4,5-Trichloropyrimidine #; CHEMBL1979246; 5-chloro-2,4-dichloropyrimidine; DTXSID50206116; 5-chloro-2,4-dichloro-pyrimidine; 2,4,5-Trichloropyrimidine, 99%; ACT01301; BCP30665; CS-D0821; ZINC1672144; BBL100690; NSC-40593; STL554484; AKOS005255047; AB15936; AC-1159; CM11088; LS00048; MCULE-6423943918; PS-6115; BP-10705; NCI60_003837; DB-005127; AM20100409; FT-0601169; T2512; 750T765; W-203164; 2,5,6-Trichloropyrimidine pound>>2,4,5-Trichloro-pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	40593	.	.	.	.	183.42	C4HCl3N2	25.8	99.8	2.8	9	0	2	0	InChI=1S/C4HCl3N2/c5-2-1-8-4(7)9-3(2)6/h1H	C1=C(C(=NC(=N1)Cl)Cl)Cl	GIKMWFAAEIACRF-UHFFFAOYSA-N
DG51311	"9H-Purine, 2-amino-6-[(1-methyl-4-nitroimidazol-5-yl)thio]-9-beta-D-ribofuranosyl-"	237305	"MLS002702849; PC 254; 3384-61-0; NSC40665; CHEMBL285930; DTXSID60955426; NSC-40665; 9H-Purin-2-amine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-9-.beta.-D-ribofuranosyl-; 9H-Purine, 2-amino-6-[(1-methyl-4-nitroimidazol-5-yl)thio]-9-.beta.-D-ribofuranosyl-; NCI60_003859; SMR001566671; 9H-Purine, 2-amino-6-(1-methyl-4-nitroimidazol-5-ylthio)-9-.beta.-D-ribofuranosyl-; 6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	40665	.	.	.	.	424.39	C14H16N8O6S	229	617	-0.9	29	4	12	4	"InChI=1S/C14H16N8O6S/c1-20-3-17-10(22(26)27)13(20)29-11-6-9(18-14(15)19-11)21(4-16-6)12-8(25)7(24)5(2-23)28-12/h3-5,7-8,12,23-25H,2H2,1H3,(H2,15,18,19)"	CN1C=NC(=C1SC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N)[N+](=O)[O-]	WJPLSTABBCGIQS-UHFFFAOYSA-N
DG51312	"2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;2,3,4,5,6-pentachlorophenol"	237371	"NSC40787; 6338-67-6; NSC-40787; CHEMBL1369208; DTXSID40285172; NCI40787; CCG-36911; NCGC00013475; NCGC00013475-02; NCGC00096590-01; NCI60_003900; 2,3,4,5,6-pentachlorophenol compound with 2-methyl-N-(2-methyl-2-propenyl)-2-propen-1-amine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	40787	.	.	.	.	391.5	C14H16Cl5NO	32.299	250	.	21	2	2	4	"InChI=1S/C8H15N.C6HCl5O/c1-7(2)5-9-6-8(3)4;7-1-2(8)4(10)6(12)5(11)3(1)9/h9H,1,3,5-6H2,2,4H3;12H"	CC(=C)CNCC(=C)C.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O	VIVCKDRUZKLWDE-UHFFFAOYSA-N
DG51313	Antineoplastic-41390	237683	6973-96-2; ANTINEOPLASTIC-41390; NSC41390; DTXSID10989897; NSC-41390; [4-(4-Phenoxybenzoyl)phenyl]arsanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	41390	.	.	.	.	364.2	C19H13AsO3	43.4	389	.	23	0	3	4	InChI=1S/C19H13AsO3/c21-19(14-6-10-16(20-22)11-7-14)15-8-12-18(13-9-15)23-17-4-2-1-3-5-17/h1-13H	C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)[As]=O	JCBAMEPRVWICDX-UHFFFAOYSA-N
DG51314	"2,4-Dichloro-1-[(4-chlorophenyl)sulfonylmethyl]benzene"	237765	"2,4-dichloro-1-[(4-chlorophenyl)sulfonylmethyl]benzene; MLS002608325; 6310-36-7; NSC41567; CHEMBL1699042; DTXSID80285373; HMS3085O07; ZINC1672789; NSC-41567; AKOS008507735; SMR001527075"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	41567	.	.	.	.	335.6	C13H9Cl3O2S	42.5	385	4.5	19	0	2	3	"InChI=1S/C13H9Cl3O2S/c14-10-3-5-12(6-4-10)19(17,18)8-9-1-2-11(15)7-13(9)16/h1-7H,8H2"	C1=CC(=CC=C1S(=O)(=O)CC2=C(C=C(C=C2)Cl)Cl)Cl	PFCHQLSWOQFFKU-UHFFFAOYSA-N
DG51315	Podophyllotoxin o-benzylidene-beta-D-glucopyranoside	237979	"NSC42076; Spg 827; Podophyllotoxin-benziliden-glucosid; NSC 42076; SP-G; Podophyllotoxin o-benzylidene-.beta.-D-glucopyranoside; NSC-42076; PODOPHYLLOTOXIN,6,O'-BENZYLIDENE-B-D-GLUCOSIDE; Podophyllotoxin, O-benzylidene-.beta.-D-glucopyranoside; Podophyllotoxin,6-O-benzylidene-.beta.-D-glucopyranoside; 4,6-o-Benzylidene-.beta.-D-glucopyranoside podophyllotoxin; PODOPHYLLOTOXIN,6,O-BENZYLIDENE-.BETA.-D-GLUCOPYRANOSIDE; WLN: T E5 C665 FVO NO PO OHTT&&J DR CO1 DO1 EO1& JO- BT6OTJ CQ DQ EQ F1Q; .beta.-D-Glucopyranoside,5a,6,8,8a,9-hexahydro-6-oxo-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-9-yl, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]-; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-[[4,6-o-(phenylmethylene)-.beta.-D-glucopyranosyl]oxy]-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a-.beta.,8a-.alpha.,9-.alpha.)]-; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-[[4,6-O-(phenylmethylene)-.beta.-D-glucopyranosyl]oxy]-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]-; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-[[4,6-o-(phenylmethylene)-.beta.-D-glucopyranosyl]oxy]-5-(3,4,5-trimethoxyphenyl)-[5R-(5.alpha.,5a-.beta.,8a-.alpha.,9-.alpha.)]-; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-9-[[4,6-O-(phenylmethylene)-.beta.-D-glucopyranosyl]oxy]-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42076	.	.	.	.	664.7	C35H36O13	150	1110	1.9	48	2	13	7	"InChI=1S/C35H36O13/c1-39-23-9-17(10-24(40-2)31(23)41-3)26-18-11-21-22(45-15-44-21)12-19(18)30(20-13-42-33(38)27(20)26)47-35-29(37)28(36)32-25(46-35)14-43-34(48-32)16-7-5-4-6-8-16/h4-12,20,25-30,32,34-37H,13-15H2,1-3H3/t20-,25 ,26+,27-,28 ,29 ,30-,32 ,34 ,35 /m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CC=C8)O)O	SBPPWJIDARICBS-QKFAOQDPSA-N
DG51316	"2,4,6-Pyrimidinetriamine, N4-(4-bromophenyl)-5-nitroso-"	238016	"90772-47-7; KC 60; Pyrimidine,4-diamino-6-(P-bromoanilino)-5-nitroso-; 2,6-Pyrimidinetriamine, N4-(4-bromophenyl)-5-nitroso-; CHEMBL1996120; 2,4,6-Pyrimidinetriamine, N4-(4-bromophenyl)-5-nitroso-; DTXSID90920167; NSC42138; NSC99350; ZINC4430760; NSC-42138; NSC-99350; AKOS024325565; MCULE-4105528462; NCI60_003957; N~4~-(4-Bromophenyl)-2-imino-5-nitroso-1,2-dihydropyrimidine-4,6-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42138	.	.	.	.	309.12	C10H9BrN6O	119	286	2	18	3	7	2	"InChI=1S/C10H9BrN6O/c11-5-1-3-6(4-2-5)14-9-7(17-18)8(12)15-10(13)16-9/h1-4H,(H5,12,13,14,15,16)"	C1=CC(=CC=C1NC2=NC(=NC(=C2N=O)N)N)Br	CQNRHAOUJJONJK-UHFFFAOYSA-N
DG51317	9-benzyl-6-(benzylthio)-9H-purin-2-amine	238161	NSC42384; NSC-42384; 94333-07-0; MLS002608399; 9-benzyl-6-(benzylthio)-9H-purin-2-amine; CHEMBL1270168; SCHEMBL17595248; DTXSID30285585; HMS3092J15; NCI42384; ZINC1675231; BDBM50328825; CCG-36497; NCGC00013500; NCGC00013500-02; NCGC00096614-01; NCI60_003968; SMR001527148; 9-Benzyl-6-benzylsulfanyl-9H-purin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42384	.	.	.	.	347.4	C19H17N5S	94.9	411	3.6	25	1	5	5	"InChI=1S/C19H17N5S/c20-19-22-17-16(18(23-19)25-12-15-9-5-2-6-10-15)21-13-24(17)11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H2,20,22,23)"	C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4)N	DNNVKRLIFZPYGL-UHFFFAOYSA-N
DG51318	Propan-2-yl hexadecylcarbamate	238166	propan-2-yl hexadecylcarbamate; 6298-78-8; propan-2-yl N-hexadecylcarbamate; NSC42405; DTXSID50978866; NSC-42405; ZINC100309895; Propan-2-yl hydrogen hexadecylcarbonimidate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42405	.	.	.	.	327.5	C20H41NO2	38.3	254	8.5	23	1	2	17	"InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-20(22)23-19(2)3/h19H,4-18H2,1-3H3,(H,21,22)"	CCCCCCCCCCCCCCCCNC(=O)OC(C)C	UMMCTIRBSNSOIX-UHFFFAOYSA-N
DG51319	N-(2-furylmethyl)-2-(2-pyridinyl)ethanamine	238327	"NSC42656; MLS002608428; 6312-00-1; NSC-42656; N-(2-furylmethyl)-2-(2-pyridinyl)ethanamine; NCIStruc1_000549; NCIStruc2_000604; CHEMBL1597169; DTXSID90285703; HMS3092D13; NCI42656; CCG-37898; NCGC00013507; ZINC19916473; AKOS000236065; MCULE-3446017896; NCGC00013507-02; NCGC00096621-01; NCI60_003979; SMR001527177; 2-Pyridineethanamine,n-(2-furanylmethyl)-; DS-013703; CS-0267589; n-(Furan-2-ylmethyl)-2-(pyridin-2-yl)ethan-1-amine; (FURAN-2-YLMETHYL)[2-(PYRIDIN-2-YL)ETHYL]AMINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42656	.	.	.	.	202.25	C12H14N2O	38.1	175	1.3	15	1	3	5	"InChI=1S/C12H14N2O/c1-2-7-14-11(4-1)6-8-13-10-12-5-3-9-15-12/h1-5,7,9,13H,6,8,10H2"	C1=CC=NC(=C1)CCNCC2=CC=CO2	YWXVVNIDMJBPNK-UHFFFAOYSA-N
DG51320	"1-Phenyl-3-(4-pyridinyl)-1,3-propanedione"	238347	"NSC42679; 6312-20-5; MLS002608436; NSC-42679; 1-phenyl-3-(4-pyridinyl)-1,3-propanedione; 1-phenyl-3-pyridin-4-ylpropane-1,3-dione; NCIStruc1_000629; NCIStruc2_000576; SCHEMBL8053052; CHEMBL1443628; DTXSID00285719; HMS3078G06; NCI42679; ZINC3953987; CCG-37900; NCGC00013509; NCGC00013509-02; NCGC00096623-01; NCI60_003981; SMR001527185; 1-Phenyl-3-(4-pyridyl)-1,3-propanedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42679	.	.	.	.	225.24	C14H11NO2	47	276	1.8	17	0	3	4	"InChI=1S/C14H11NO2/c16-13(11-4-2-1-3-5-11)10-14(17)12-6-8-15-9-7-12/h1-9H,10H2"	C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=NC=C2	ALJURYJXCXVZFN-UHFFFAOYSA-N
DG51321	2-Phenyl-4-pyridin-2-ylbutanoic acid	238363	"NSC42695; 2-phenyl-4-pyridin-2-ylbutanoic acid; 6312-31-8; MLS002608441; NSC-42695; 2-Pyridinebutanoicacid, a-phenyl-; CHEMBL1869193; DTXSID80285732; HMS3080D13; AKOS017980559; 2-phenyl-4-(2-pyridinyl)butanoic acid; NCI60_003983; SMR001527190; DS-013690"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42695	.	.	.	.	241.28	C15H15NO2	50.2	261	2.7	18	1	3	5	"InChI=1S/C15H15NO2/c17-15(18)14(12-6-2-1-3-7-12)10-9-13-8-4-5-11-16-13/h1-8,11,14H,9-10H2,(H,17,18)"	C1=CC=C(C=C1)C(CCC2=CC=CC=N2)C(=O)O	SSRVHSJNWMCPCE-UHFFFAOYSA-N
DG51322	3-Methyl-1-(2-quinolinyl)-2-butanone	238450	"NSC42797; 10554-56-0; NSC-42797; 3-methyl-1-(2-quinolinyl)-2-butanone; 2-Butanone,3-methyl-1-(2-quinolinyl)-; NCIStruc1_000471; NCIStruc2_000616; CHEMBL1741410; DTXSID80285792; NCI42797; CCG-37903; NCGC00013513; ZINC37866080; NCGC00013513-02; NCGC00096627-01; NCI60_003985; DS-013050"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42797	.	.	.	.	213.27	C14H15NO	30	249	2.9	16	0	2	3	"InChI=1S/C14H15NO/c1-10(2)14(16)9-12-8-7-11-5-3-4-6-13(11)15-12/h3-8,10H,9H2,1-2H3"	CC(C)C(=O)CC1=NC2=CC=CC=C2C=C1	YNAKYFWJSSKUQL-UHFFFAOYSA-N
DG51323	"6-(Dimethylamino)-2,2-dimethyl-4-(2-pyridinyl)-3-hexanone"	238460	"NSC42808; NSC-42808; CHEMBL1977162; 6-(dimethylamino)-2,2-dimethyl-4-(2-pyridinyl)-3-hexanone; NCI60_003988"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42808	.	.	.	.	248.36	C15H24N2O	33.2	268	2.3	18	0	3	6	"InChI=1S/C15H24N2O/c1-15(2,3)14(18)12(9-11-17(4)5)13-8-6-7-10-16-13/h6-8,10,12H,9,11H2,1-5H3"	CC(C)(C)C(=O)C(CCN(C)C)C1=CC=CC=N1	WHFIZBVXVJYPFM-UHFFFAOYSA-N
DG51324	2-(1-Phenyl-3-(1-pyrrolidinyl)propyl)pyridine	238475	NSC42824; NSC-42824; 2-(1-phenyl-3-(1-pyrrolidinyl)propyl)pyridine; CHEMBL1971468; NCI60_003990	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42824	.	.	.	.	266.4	C18H22N2	16.1	267	3.2	20	0	2	5	"InChI=1S/C18H22N2/c1-2-8-16(9-3-1)17(18-10-4-5-12-19-18)11-15-20-13-6-7-14-20/h1-5,8-10,12,17H,6-7,11,13-15H2"	C1CCN(C1)CCC(C2=CC=CC=C2)C3=CC=CC=N3	RVICOCMXZVHRHL-UHFFFAOYSA-N
DG51325	"1,1,3,4-Tetrabromo-4-phenylbutan-2-one"	238545	"6304-55-8; 1,1,3,4-tetrabromo-4-phenylbutan-2-one; NSC42972; 2-Butanone,1,1,3,4-tetrabromo-4-phenyl-; DTXSID00285835; NSC-42972; DS-003946"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42972	.	.	.	.	463.79	C10H8Br4O	17.1	214	4.7	15	0	1	4	"InChI=1S/C10H8Br4O/c11-7(6-4-2-1-3-5-6)8(12)9(15)10(13)14/h1-5,7-8,10H"	C1=CC=C(C=C1)C(C(C(=O)C(Br)Br)Br)Br	UUUQKIQSKJSFCW-UHFFFAOYSA-N
DG51326	1-(4-Bromoanilino)cyclopentane-1-carbonitrile	238637	MLS002608500; 73143-10-9; 1-(4-bromoanilino)cyclopentane-1-carbonitrile; NSC43101; CHEMBL1886701; DTXSID00993882; HMS3080H19; ZINC1675862; NSC-43101; SMR001527247	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43101	.	.	.	.	265.15	C12H13BrN2	35.8	254	3.4	15	1	2	2	"InChI=1S/C12H13BrN2/c13-10-3-5-11(6-4-10)15-12(9-14)7-1-2-8-12/h3-6,15H,1-2,7-8H2"	C1CCC(C1)(C#N)NC2=CC=C(C=C2)Br	WGSHEWFMWCELQT-UHFFFAOYSA-N
DG51327	2-oxo-N-(2-phenylethenylidene)-4-phenyliminobut-3-enamide	238775	MLS000737077; SMR000394031; NSC43308; cid_238775; CHEMBL1502358; BDBM47469; 2-oxo-N-(2-phenylethenylidene)-4-phenyliminobut-3-enamide; HMS2753H22; ZINC1676023; NSC-43308; 2-keto-4-phenylimino-N-styrylidene-but-3-enamide; SR-01000769620; SR-01000769620-2; 2-oxo-N-(2-phenylethenylidene)-4-phenylimino-3-butenamide; 2-oxidanylidene-N-(2-phenylethenylidene)-4-phenylimino-but-3-enamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43308	.	.	.	.	288.3	C18H12N2O2	58.9	511	4.4	22	0	3	4	InChI=1S/C18H12N2O2/c21-17(12-14-19-16-9-5-2-6-10-16)18(22)20-13-11-15-7-3-1-4-8-15/h1-12H	C1=CC=C(C=C1)C=C=NC(=O)C(=O)C=C=NC2=CC=CC=C2	DDGJLZWYTNCSEI-UHFFFAOYSA-N
DG51328	"p-Benzoquinone, trimethoxy-"	238795	"p-Benzoquinone, trimethoxy-; MLS002608533; 3117-05-3; 2,3,5-trimethoxy-p-benzoquinone; SMR001527280; 2,3,5-trimethoxycyclohexa-2,5-diene-1,4-dione; NSC43333; cid_238795; SCHEMBL3413590; CHEMBL1706640; BDBM80743; DTXSID90285965; HMS3091M04; ZINC1676043; NSC-43333; 2,3,5-Trimethoxybenzo-1,4-quinone #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43333	.	.	.	.	198.17	C9H10O5	61.8	337	0.2	14	0	5	3	"InChI=1S/C9H10O5/c1-12-6-4-5(10)8(13-2)9(14-3)7(6)11/h4H,1-3H3"	COC1=CC(=O)C(=C(C1=O)OC)OC	OIMLWOWVDNEGEN-UHFFFAOYSA-N
DG51329	Nootkatin	238797	"Nootkatin; NSC43339; 4431-03-2; MLS002608535; 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(3-methyl-2-butenyl)-4-(1-methylethyl)-; CHEMBL1700891; SCHEMBL13311346; DTXSID10196125; HMS3091E24; ZINC5458295; NSC 43339; NSC-43339; NSC403527; NSC 403527; NSC-403527; SMR001527282; Q67880029; 2-hydroxy-4-isopropyl-5-(3-methylbut-2-enyl)cyclohepta-2,4,6-trien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43339	.	.	.	.	232.32	C15H20O2	37.3	428	3.6	17	1	2	3	"InChI=1S/C15H20O2/c1-10(2)5-6-12-7-8-14(16)15(17)9-13(12)11(3)4/h5,7-9,11H,6H2,1-4H3,(H,16,17)"	CC(C)C1=CC(=O)C(=CC=C1CC=C(C)C)O	MNMNTZYOZZLKSV-UHFFFAOYSA-N
DG51330	2-amino-9-benzyl-6-((4-(hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)-9H-purine	238855	NSC43413; MLS002608548; NSC-43413; CHEMBL1725598; HMS3091E12; NCI43413; CCG-36902; NCGC00013524; ZINC03953998; ZINC37868617; NCGC00013524-02; NCGC00096637-01; NCI60_004006; SMR001527295; 2-amino-9-benzyl-6-((4-(hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)-9H-purine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43413	.	.	.	.	382.4	C16H14N8O2S	159	531	2.3	27	1	8	4	"InChI=1S/C16H14N8O2S/c1-22-8-19-13(24(25)26)15(22)27-14-11-12(20-16(17)21-14)23(9-18-11)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H2,17,20,21)"	CN1C=NC(=C1SC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N)[N+](=O)[O-]	KHTLNGFUSVKKLF-UHFFFAOYSA-N
DG51331	"2,6-Diamino-9-benzylpurine"	238930	"2,6-Diamino-9-benzylpurine; 7674-36-4; NSC43534; 2-amino-9-benzyladenine; SCHEMBL1640041; CHEMBL1969401; DTXSID10286035; ZINC1676221; NSC-43534; 9H-Purine, 2,6-diamino-9-benzyl-; NCI60_004010"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43534	.	.	.	.	240.26	C12H12N6	95.6	280	1.4	18	2	5	2	"InChI=1S/C12H12N6/c13-10-9-11(17-12(14)16-10)18(7-15-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H4,13,14,16,17)"	C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)N)N	DRGHOMRXJSSSBT-UHFFFAOYSA-N
DG51332	6-Hydroxy-7-methoxy-4-methyl-2H-chromen-2-one	238946	"6-Hydroxy-7-methoxy-4-methyl-2H-chromen-2-one; 6345-62-6; 4-Methyl-7-methoxy-6-hydroxycoumarin; Coumarin, 6-hydroxy-7-methoxy-4-methyl-; 6-hydroxy-7-methoxy-4-methylchromen-2-one; NSC43567; UNII-TJB10ZFF3K; TJB10ZFF3K; 2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-4-methyl-; 6-Hydroxy-7-methoxy-4-methyl-2H-1-benzopyran-2-one; NSC 43567; SCHEMBL8807762; CHEMBL1994521; DTXSID00212868; ZINC1676260; NSC-43567; 6-hydroxy-7-methoxy-4-methyl coumarin; NCI60_004011; 6-hydroxy-7-methoxy-4-methyl-chromen-2-one; A935105; 6-Hydroxy-7-methoxy-4-methyl-2H-chromen-2-one #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43567	.	.	.	.	206.19	C11H10O4	55.8	297	1.4	15	1	4	1	"InChI=1S/C11H10O4/c1-6-3-11(13)15-9-5-10(14-2)8(12)4-7(6)9/h3-5,12H,1-2H3"	CC1=CC(=O)OC2=CC(=C(C=C12)O)OC	XICLZVQOVIQOBV-UHFFFAOYSA-N
DG51333	"5-(2-(Benzyloxy)-2-methylpropyl)-5-methyl-2,4-imidazolidinedione"	239211	"NSC44102; MLS002608589; 7153-57-3; NSC-44102; CHEMBL1977090; DTXSID80286183; HMS3091I20; NCI60_004020; SMR001527336; 5-(2-(benzyloxy)-2-methylpropyl)-5-methyl-2,4-imidazolidinedione; 5-(2-(Benzyloxy)-2-methylpropyl)-5-methylimidazolidine-2,4-dione; 101496-60-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	44102	.	.	.	.	276.33	C15H20N2O3	67.4	389	1.5	20	2	3	5	"InChI=1S/C15H20N2O3/c1-14(2,20-9-11-7-5-4-6-8-11)10-15(3)12(18)16-13(19)17-15/h4-8H,9-10H2,1-3H3,(H2,16,17,18,19)"	CC1(C(=O)NC(=O)N1)CC(C)(C)OCC2=CC=CC=C2	BQZHIDOEJWGMOX-UHFFFAOYSA-N
DG51334	Dodecyl morpholine-4-carboximidate	239304	NSC44230; dodecyl morpholine-4-carboximidate; CHEMBL1969941; Dodecyl 4-morpholinecarboximidoate; NSC-44230; ZINC73276339; NCI60_004024	.	.	Investigative Drug(s)	Investigative	Small molecular drug	44230	.	.	.	.	298.5	C17H34N2O2	45.6	253	5.4	21	1	3	13	"InChI=1S/C17H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-21-17(18)19-12-15-20-16-13-19/h18H,2-16H2,1H3"	CCCCCCCCCCCCOC(=N)N1CCOCC1	VLXNAGGKCPWWSK-UHFFFAOYSA-N
DG51335	"9H-Purine, 2-amino-6-(o-chlorobenzylthio)-9-propyl-"	239486	"MLS002608633; 92494-53-6; PC 287; 6-((2-chlorobenzyl)thio)-9-propyl-9H-purin-2-amine; CHEMBL1899264; DTXSID20286283; HMS3091G10; NSC44580; ZINC1676888; NSC-44580; SMR001527379; 9H-Purine, 2-amino-6-(o-chlorobenzylthio)-9-propyl-; 9H-Purin-2-amine, 6-[[(2-chlorophenyl)methyl]thio]-9-propyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	44580	.	.	.	.	333.8	C15H16ClN5S	94.9	361	3.5	22	1	5	5	"InChI=1S/C15H16ClN5S/c1-2-7-21-9-18-12-13(21)19-15(17)20-14(12)22-8-10-5-3-4-6-11(10)16/h3-6,9H,2,7-8H2,1H3,(H2,17,19,20)"	CCCN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3Cl)N	ZITJURWWDLKJNF-UHFFFAOYSA-N
DG51336	"9H-Purin-2-amine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-9-(2-methylpropyl)-"	239491	"NSC44585; 36892-43-0; MLS002608636; NSC-44585; 9-Isobutylguaneran; PC 298; CHEMBL1710498; DTXSID60286287; HMS3091E04; NCI44585; CCG-36776; NCGC00013534; ZINC03954001; ZINC37868618; 9H-Purin-2-amine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-9-(2-methylpropyl)-; NCGC00013534-02; NCGC00096647-01; NCI60_004028; SMR001527382; 9-Isobutyl-6-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-9H-purin-2-amine; 9H-Purine, 2-amino-9-isobutyl-6-(1-methyl-4-nitroimidazol-5-ylthio)-; 2-amino-6-((4-(hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)-9-isobutyl-9H-purine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	44585	.	.	.	.	348.39	C13H16N8O2S	159	464	2	24	1	8	4	"InChI=1S/C13H16N8O2S/c1-7(2)4-20-6-15-8-9(20)17-13(14)18-11(8)24-12-10(21(22)23)16-5-19(12)3/h5-7H,4H2,1-3H3,(H2,14,17,18)"	CC(C)CN1C=NC2=C1N=C(N=C2SC3=C(N=CN3C)[N+](=O)[O-])N	SEIMKLNUEAPZHV-UHFFFAOYSA-N
DG51337	"1-[10-(2,5-Dioxopyrrol-1-yl)decyl]pyrrole-2,5-dione"	239578	"1,10-Bis(maleimide)decane; 39763-02-5; MLS002608660; 1-[10-(2,5-dioxopyrrol-1-yl)decyl]pyrrole-2,5-dione; SMR001527406; NSC44753; cid_239578; SCHEMBL5383694; CHEMBL1728153; BDBM81216; DTXSID40286326; HMS3082I07; ZINC1677065; MFCD01318344; NSC-44753; AKOS024374890; MCULE-1258291314; 1-(10-maleimidodecyl)-3-pyrroline-2,5-quinone; 1,1'-(1,10-Decanediyl)bis(1H-pyrrole-2,5-dione); 1-[10-(2,5-dioxo-1-pyrrolyl)decyl]pyrrole-2,5-dione; 1-[10-[2,5-bis(oxidanylidene)pyrrol-1-yl]decyl]pyrrole-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	44753	.	.	.	.	332.4	C18H24N2O4	74.8	479	2.3	24	0	4	11	"InChI=1S/C18H24N2O4/c21-15-9-10-16(22)19(15)13-7-5-3-1-2-4-6-8-14-20-17(23)11-12-18(20)24/h9-12H,1-8,13-14H2"	C1=CC(=O)N(C1=O)CCCCCCCCCCN2C(=O)C=CC2=O	VBRQKZUHWJXGLS-UHFFFAOYSA-N
DG51338	"2-Chloro-3-[(furan-2-ylmethyl)amino]naphthalene-1,4-dione"	239677	"MLS002608685; 22359-44-0; 2-chloro-3-[(furan-2-ylmethyl)amino]naphthalene-1,4-dione; NSC45029; BAS 03200115; 1, 2-chloro-3-furfurylamino-; CHEMBL1708891; DTXSID10286353; HMS3078I06; NSC-45029; STK710696; AKOS000596478; ZINC100486288; MCULE-3096413528; SR-01000323412; SR-01000323412-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45029	.	.	.	.	287.7	C15H10ClNO3	59.3	460	3.1	20	1	4	3	"InChI=1S/C15H10ClNO3/c16-12-13(17-8-9-4-3-7-20-9)15(19)11-6-2-1-5-10(11)14(12)18/h1-7,17H,8H2"	C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCC3=CC=CO3	HUQAZTJPZNRJDY-UHFFFAOYSA-N
DG51339	2-phenyl-1-(1H-tetrazol-5-yl)-ethylamine	239705	NSC45074; 31603-06-2; 2-phenyl-1-(2h-tetrazol-5-yl)ethanamine; 2-phenyl-1-(1H-tetrazol-5-yl)-ethylamine; MLS002608689; NSC-45074; SCHEMBL7507014; CHEMBL1707086; DTXSID00286367; HMS3080L17; MFCD21875408; NCI60_004034; SMR001527434; 1-(1H-Tetrazole-5-yl)-2-phenylethanamine; 2-phenyl-1-(1H-tetraazol-5-yl)ethanamine; J3.545.223K	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45074	.	.	.	.	189.22	C9H11N5	80.5	169	0.4	14	2	4	3	"InChI=1S/C9H11N5/c10-8(9-11-13-14-12-9)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12,13,14)"	C1=CC=C(C=C1)CC(C2=NNN=N2)N	NXQBRADSLPEODL-UHFFFAOYSA-N
DG51340	"(Methyl(2,3,5-trichloro-6-hydroxybenzyl)amino)acetic acid"	239729	"NSC45114; NSC-45114; 5389-30-0; NCIStruc1_000593; NCIStruc2_000341; CHEMBL1408498; DTXSID10286378; NCI45114; ZINC1677218; CCG-37645; NCGC00013538; NCGC00013538-02; NCGC00096651-01; NCI60_004035; (methyl(2,3,5-trichloro-6-hydroxybenzyl)amino)acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45114	.	.	.	.	298.5	C10H10Cl3NO3	60.8	280	0.6	17	2	4	4	"InChI=1S/C10H10Cl3NO3/c1-14(4-8(15)16)3-5-9(13)6(11)2-7(12)10(5)17/h2,17H,3-4H2,1H3,(H,15,16)"	CN(CC1=C(C(=CC(=C1Cl)Cl)Cl)O)CC(=O)O	AFNKCFYOQROHMA-UHFFFAOYSA-N
DG51341	NSC45236	239763	"4,4,4-trifluoro-3-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butan-1-one; NSC45236; MLS002702850; 1554-32-1; NSC-45236; 4,4,4-trifluoro-3-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butan-1-one; CHEMBL1871209; DTXSID90286391; NCI60_004048; SMR001566672"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45236	.	.	.	.	416.5	C23H35F3O3	57.5	650	5.3	29	2	6	3	"InChI=1S/C23H35F3O3/c1-21-9-7-14(27)11-13(21)3-4-15-16-5-6-18(22(16,2)10-8-17(15)21)19(28)12-20(29)23(24,25)26/h13-18,20,27,29H,3-12H2,1-2H3"	CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CC(C(F)(F)F)O)C)O	JVSPILBDVWXPBS-UHFFFAOYSA-N
DG51342	2-((4-Amino-2-methylphenyl)diazenyl)-5-methylbenzenesulfonamide	239838	"NSC45527; MLS000736601; NSC-45527; 6300-10-3; Hit compound, 7; NCIStruc1_001114; NCIStruc2_001369; CHEMBL1437962; CHEMBL1475360; CHEMBL1995652; SCHEMBL13990180; BDBM92565; DTXSID60286409; HMS2885D11; NCI45527; CCG-36799; NCGC00013545; ZINC18166590; ZINC100134226; NCGC00013545-02; NCGC00096658-01; NCI60_004056; SMR000528213; 2-((4-amino-2-methylphenyl)diazenyl)-5-methylbenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45527	.	.	.	.	304.37	C14H16N4O2S	119	474	2.3	21	2	6	3	"InChI=1S/C14H16N4O2S/c1-9-3-5-13(14(7-9)21(16,19)20)18-17-12-6-4-11(15)8-10(12)2/h3-8H,15H2,1-2H3,(H2,16,19,20)"	CC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)N)C)S(=O)(=O)N	UFCBDPKSFCONKF-UHFFFAOYSA-N
DG51343	3-hydroxy-4-[(3-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide	239856	NSC45595; 6300-51-2; CHEMBL2001426; NSC-45595; ZINC17303183; ZINC104367057; NCI60_004077; 4-[(3-Nitrophenyl)azo]-3-hydroxy-2-naphthalenecarboanilide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45595	.	.	.	.	412.4	C23H16N4O4	120	661	5.8	31	2	6	4	"InChI=1S/C23H16N4O4/c28-22-20(23(29)24-16-8-2-1-3-9-16)13-15-7-4-5-12-19(15)21(22)26-25-17-10-6-11-18(14-17)27(30)31/h1-14,28H,(H,24,29)"	C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC(=CC=C4)[N+](=O)[O-]	QSFJILOAMVJLLT-UHFFFAOYSA-N
DG51344	3-Hydroxy-4-[(4-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide	239857	NSC45596; 6300-52-3; 3-Hydroxy-4-[(4-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide; CHEMBL1994520; SCHEMBL18216957; DTXSID80430629; NSC-45596; ZINC17303185; AKOS024274914; ZINC104367061; MCULE-7107533007; NCI60_004078; 1-(4-nitrophenylazo)-2-hydroxynaphthalene-3-carboxanilide; 4-[(4-Nitrophenyl)azo]-3-hydroxy-2-naphthalenecarboanilide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45596	.	.	.	.	412.4	C23H16N4O4	120	653	5.8	31	2	6	4	"InChI=1S/C23H16N4O4/c28-22-20(23(29)24-16-7-2-1-3-8-16)14-15-6-4-5-9-19(15)21(22)26-25-17-10-12-18(13-11-17)27(30)31/h1-14,28H,(H,24,29)"	C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=C(C=C4)[N+](=O)[O-]	VZEZEKXEFKSTBJ-UHFFFAOYSA-N
DG51345	"N1-(7-chloro-1,2,3,4-tetrahydro-9-acridinyl)-N3,N3-dimethyl-1,3-propanediamine"	239932	"NSC45730; NSC-45730; 6297-84-3; NCIStruc1_001276; NCIStruc2_001291; CHEMBL1598887; DTXSID80286426; NCI45730; ZINC1677542; CCG-36713; NCGC00013552; NCGC00013552-02; NCGC00096665-01; NCI60_004080; N1-(7-chloro-1,2,3,4-tetrahydro-9-acridinyl)-N3,N3-dimethyl-1,3-propanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45730	.	.	.	.	317.9	C18H24ClN3	28.2	349	4.4	22	1	3	5	"InChI=1S/C18H24ClN3/c1-22(2)11-5-10-20-18-14-6-3-4-7-16(14)21-17-9-8-13(19)12-15(17)18/h8-9,12H,3-7,10-11H2,1-2H3,(H,20,21)"	CN(C)CCCNC1=C2CCCCC2=NC3=C1C=C(C=C3)Cl	SGFKZQRIWFBYKO-UHFFFAOYSA-N
DG51346	1-(Furan-2-ylmethyl)-3-[4-[4-(furan-2-ylmethylcarbamoylamino)-2-methoxyphenyl]-3-methoxyphenyl]urea	240061	NSC45940; MLS002608746; 6298-30-2; CHEMBL1733762; DTXSID90286472; HMS3078H13; ZINC4806211; NSC-45940; SMR001527490	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45940	.	.	.	.	490.5	C26H26N4O6	127	654	2.7	36	4	6	9	"InChI=1S/C26H26N4O6/c1-33-23-13-17(29-25(31)27-15-19-5-3-11-35-19)7-9-21(23)22-10-8-18(14-24(22)34-2)30-26(32)28-16-20-6-4-12-36-20/h3-14H,15-16H2,1-2H3,(H2,27,29,31)(H2,28,30,32)"	COC1=C(C=CC(=C1)NC(=O)NCC2=CC=CO2)C3=C(C=C(C=C3)NC(=O)NCC4=CC=CO4)OC	GIFPLDMVYOENAC-UHFFFAOYSA-N
DG51347	1-(4-Ethoxyphenyl)-3-(2-methyl-5-propan-2-ylphenyl)urea	240168	MLS000736616; NSC46213; 6341-38-4; 1-(4-ethoxyphenyl)-3-(2-methyl-5-propan-2-ylphenyl)urea; CHEMBL1491280; DTXSID60286500; ZINC1677892; NSC-46213; SMR000528220	.	.	Investigative Drug(s)	Investigative	Small molecular drug	46213	.	.	.	.	312.4	C19H24N2O2	50.4	364	4.3	23	2	2	5	"InChI=1S/C19H24N2O2/c1-5-23-17-10-8-16(9-11-17)20-19(22)21-18-12-15(13(2)3)7-6-14(18)4/h6-13H,5H2,1-4H3,(H2,20,21,22)"	CCOC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C(C)C)C	ZYDWOONFLRQTIK-UHFFFAOYSA-N
DG51348	(1-(Ethoxycarbonyl)-2-oxocyclopentyl)acetic acid	240444	NSC46647; 6342-78-5; NSC-46647; CHEMBL1988941; DTXSID80286603; NCI60_004099; (1-(ethoxycarbonyl)-2-oxocyclopentyl)acetic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	46647	.	.	.	.	214.21	C10H14O5	80.7	296	0.2	15	1	5	5	"InChI=1S/C10H14O5/c1-2-15-9(14)10(6-8(12)13)5-3-4-7(10)11/h2-6H2,1H3,(H,12,13)"	CCOC(=O)C1(CCCC1=O)CC(=O)O	JJTRRJRRBRCVSC-UHFFFAOYSA-N
DG51349	"(4-Methoxyphenyl)(2,3,4-trimethoxyphenyl)methanone"	240478	"MLS002667087; 6342-99-0; (4-Methoxyphenyl)(2,3,4-trimethoxyphenyl)methanone; NSC46683; (4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methanone; CHEMBL596358; SCHEMBL13496615; DTXSID00286625; HMS3088L16; ZINC1678824; NSC-46683; SMR001556859; DS-007783"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	46683	.	.	.	.	302.32	C17H18O5	54	351	3.3	22	0	5	6	"InChI=1S/C17H18O5/c1-19-12-7-5-11(6-8-12)15(18)13-9-10-14(20-2)17(22-4)16(13)21-3/h5-10H,1-4H3"	COC1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)OC)OC)OC	XOAIHPXZWMXWPP-UHFFFAOYSA-N
DG51350	"7-Amino-6-chloro-5,8-dioxonaphthalene-2-sulfonamide"	240739	"MLS002667101; SMR001556873; NSC47384; 7-amino-6-chloro-5,8-dioxonaphthalene-2-sulfonamide; cid_240739; CHEMBL1734083; BDBM80810; HMS3088N12; ZINC4705927; NSC-47384; SR-01000878897; SR-01000878897-2; 7-amino-6-chloro-5,8-dioxo-2-naphthalenesulfonamide; 7-amino-6-chloro-5,8-diketo-naphthalene-2-sulfonamide; 7-azanyl-6-chloranyl-5,8-bis(oxidanylidene)naphthalene-2-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	47384	.	.	.	.	286.69	C10H7ClN2O4S	129	549	0.6	18	2	6	1	"InChI=1S/C10H7ClN2O4S/c11-7-8(12)10(15)6-3-4(18(13,16)17)1-2-5(6)9(7)14/h1-3H,12H2,(H2,13,16,17)"	C1=CC2=C(C=C1S(=O)(=O)N)C(=O)C(=C(C2=O)Cl)N	ICJBRQPJQVOTDH-UHFFFAOYSA-N
DG51351	Fluorometholone acetate	240767	"FLUOROMETHOLONE ACETATE; 3801-06-7; Eflone; Oxylone acetate; Flarex; Fluorometholone 17-acetate; Fluorometholone acetate [USAN:USP]; NSC 47438; UNII-9I50C3I3OK; 9-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 17-acetate; 9I50C3I3OK; CHEBI:78354; NSC-47438; AI3-52814; U-17323; [(6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate; U-17,323; 6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone; NSC47438; Flarex (TN); fluorometholone-acetate; SCHEMBL43184; U 17323; Fluorometholone acetate (USP); CHEMBL1201064; C24H31FO5; DTXSID20191424; HY-B1471; ZINC4213357; EINECS 223-270-3; MFCD00866062; s4228; AKOS025401542; AC-2172; CCG-268873; NCGC00373228-02; BS-16978; NCI60_004118; CS-0013170; SW219098-1; D04221; D81740; AB00641960_02; 801F067; U 17,323; Fluorometholone acetate 100 microg/mL in Acetonitrile; Q27105082; Progesterone,17-dihydroxy-6.alpha.-methyl-,17-acetate; (6alpha,11beta)-9-fluoro-11-hydroxy-6-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate; 17-(Acetyloxy)-9-fluoro-11beta-hydroxy-6alpha-methylpregna-1,4-diene-3,20-dione; 9-fluoro-11beta-hydroxy-6alpha-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate; Pregna-1,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-6-methyl-, (6.alpha.,11.beta.)-; Pregna-1,20-dione, 9-fluoro-11.beta.,17-dihydroxy-6.alpha.-methyl-, 17-acetate; (1R,2S,8S,10S,11S,14R,15S,17S)-14-acetyl-1-fluoro-17-hydroxy-2,8,15-trimethyl-5-oxotetracyclo[8.7.0.0 , .0  ,  ]heptadeca-3,6-dien-14-yl acetate; Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-6-methyl-, (6alpha,11beta)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	47438	.	.	.	.	418.5	C24H31FO5	80.7	892	2.6	30	1	6	3	"InChI=1S/C24H31FO5/c1-13-10-19-17-7-9-23(14(2)26,30-15(3)27)22(17,5)12-20(29)24(19,25)21(4)8-6-16(28)11-18(13)21/h6,8,11,13,17,19-20,29H,7,9-10,12H2,1-5H3/t13-,17-,19-,20-,21-,22-,23-,24-/m0/s1"	C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)OC(=O)C	YRFXGQHBPBMFHW-SBTZIJSASA-N
DG51352	"2,4-Dinitro-1-[3-(trifluoromethyl)phenoxy]benzene"	240863	NSC47657; ZINC1679387; NSC-47657	.	.	Investigative Drug(s)	Investigative	Small molecular drug	47657	.	.	.	.	328.2	C13H7F3N2O5	101	448	3.6	23	0	8	2	"InChI=1S/C13H7F3N2O5/c14-13(15,16)8-2-1-3-10(6-8)23-12-5-4-9(17(19)20)7-11(12)18(21)22/h1-7H"	C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F	XKJFTQLTCVTSNS-UHFFFAOYSA-N
DG51353	"6-((2,4-dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-ylamine"	240896	"NSC47786; 94094-16-3; NSC-47786; CHEMBL1608337; DTXSID20286809; NCI47786; ZINC1679436; CCG-36956; NCGC00013578; NCGC00013578-02; NCGC00096691-01; NCI60_004129; 9H-Purine,4-dichlorobenzylthio)-9-isobutyl-; 6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine; 6-((2,4-dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-ylamine; 9H-Purin-2-amine,4-dichlorophenyl)methyl]thio]-9-(2-methylpropyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	47786	.	.	.	.	382.3	C16H17Cl2N5S	94.9	416	4.6	24	1	5	5	"InChI=1S/C16H17Cl2N5S/c1-9(2)6-23-8-20-13-14(23)21-16(19)22-15(13)24-7-10-3-4-11(17)5-12(10)18/h3-5,8-9H,6-7H2,1-2H3,(H2,19,21,22)"	CC(C)CN1C=NC2=C1N=C(N=C2SCC3=C(C=C(C=C3)Cl)Cl)N	MLXSKOFAXKBMOL-UHFFFAOYSA-N
DG51354	"Cytidine, 2'-deoxy-5-fluoro-"	240980	"Cytidine, 2'-deoxy-5-fluoro-; FdCyd; MLS002702854; 4-amino-5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; Cytidine, 2'-deoxy-5-fluoro-;Cytidine, 2'-deoxy-5-fluoro-; Ro 5-1090; 5-Flurodeoxycytidine; 5-fluor-deoxycytidine; CHEMBL110020; SCHEMBL16212282; NSC48006; MCULE-9485124469; SB17172; SMR001566676; FT-0600855; WLN: T6N CNJ DZ EF F- BT5OTJ EO1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48006	.	.	.	.	245.21	C9H12FN3O4	108	398	-1.5	17	3	5	2	"InChI=1S/C9H12FN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)"	C1C(C(OC1N2C=C(C(=NC2=O)N)F)CO)O	IDYKCXHJJGMAEV-UHFFFAOYSA-N
DG51355	"Aziridine, 1,1'-[tetramethyl-p-phenylenebis(methylenecarbonyl)]bis-"	241000	"NSC48034; CHEMBL1990702; ZINC1679542; NSC-48034; NCI60_004138; Aziridine, 1,1'-[tetramethyl-p-phenylenebis(methylenecarbonyl)]bis-; Aziridine,1'-[tetramethyl-p-phenylenebis(methylenecarbonyl)]bis-; 1-((4-(2-(1-Aziridinyl)-2-oxoethyl)-2,3,5,6-tetramethylphenyl)acetyl)aziridine; Aziridine, 1,1'-[(2,3,5,6-tetramethyl-1,4-phenylene)bis(1-oxo-2,1-ethanediyl)]bis-; Aziridine,1'-[(2,3,5,6-tetramethyl-1,4-phenylene)bis(1-oxo-2,1-ethanediyl)]bis-; 1-(aziridin-1-yl)-2-[4-[2-(aziridin-1-yl)-2-oxo-ethyl]-2,3,5,6-tetramethyl-phenyl]ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48034	.	.	.	.	300.4	C18H24N2O2	40.2	398	1.7	22	0	2	4	"InChI=1S/C18H24N2O2/c1-11-12(2)16(10-18(22)20-7-8-20)14(4)13(3)15(11)9-17(21)19-5-6-19/h5-10H2,1-4H3"	CC1=C(C(=C(C(=C1CC(=O)N2CC2)C)C)CC(=O)N3CC3)C	AEWRLJFSKWRMTB-UHFFFAOYSA-N
DG51356	4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)(cyclohexyl)amino)methyl)phenol	241052	NSC48151; 4660-54-2; 4-tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)(cyclohexyl)amino)methyl)phenol; NSC-48151; 4-tert-butyl-2-[[(5-tert-butyl-2-hydroxyphenyl)methyl-cyclohexylamino]methyl]phenol; NCIMech_000212; NCIStruc1_001185; NCIStruc2_000980; CHEMBL1494099; SCHEMBL13038427; DTXSID90286876; NCI48151; ZINC1679626; CCG-35324; CCG-37341; NCGC00013586; NCGC00013586-02; NCGC00096699-01; NCI60_004140	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48151	.	.	.	.	423.6	C28H41NO2	43.7	502	7.7	31	2	3	7	"InChI=1S/C28H41NO2/c1-27(2,3)22-12-14-25(30)20(16-22)18-29(24-10-8-7-9-11-24)19-21-17-23(28(4,5)6)13-15-26(21)31/h12-17,24,30-31H,7-11,18-19H2,1-6H3"	CC(C)(C)C1=CC(=C(C=C1)O)CN(CC2=C(C=CC(=C2)C(C)(C)C)O)C3CCCCC3	KLGRWWNBLUHQPB-UHFFFAOYSA-N
DG51357	4-Tert-butyl-2-((cyclohexylamino)methyl)-6-methylphenol	241059	NSC48160; 6640-90-0; 4-tert-butyl-2-((cyclohexylamino)methyl)-6-methylphenol; TBMMP; 4-tert-butyl-2-[(cyclohexylamino)methyl]-6-methylphenol; NSC-48160; NCIStruc1_000477; NCIStruc2_000423; CHEMBL1399994; DTXSID00286882; NCI48160; ZINC1679634; CCG-37715; NCGC00013587; NCGC00013587-02; NCGC00096700-01; NCI60_004141	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48160	.	.	.	.	275.4	C18H29NO	32.299	290	4.8	20	2	2	4	"InChI=1S/C18H29NO/c1-13-10-15(18(2,3)4)11-14(17(13)20)12-19-16-8-6-5-7-9-16/h10-11,16,19-20H,5-9,12H2,1-4H3"	CC1=CC(=CC(=C1O)CNC2CCCCC2)C(C)(C)C	DVMJYVSFWOSELO-UHFFFAOYSA-N
DG51358	1-((((2-Hydroxy-1-naphthyl)methylene)amino)methyl)-2-naphthol	241061	NSC48162; 6640-91-1; NSC-48162; NCIStruc1_001073; NCIStruc2_001575; CHEMBL1574693; CHEMBL1996052; DTXSID50418050; NCI48162; CCG-36838; NCGC00013588; ZINC12671689; ZINC96901458; NCGC00013588-02; NCGC00096701-01; NCI60_004142; 1-((((2-hydroxy-1-naphthyl)methylene)amino)methyl)-2-naphthol; 1-[[[(2-Hydroxynaphthalene-1-yl)methyl]imino]methyl]naphthalene-2-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48162	.	.	.	.	327.4	C22H17NO2	52.8	465	4.9	25	2	3	3	"InChI=1S/C22H17NO2/c24-21-11-9-15-5-1-3-7-17(15)19(21)13-23-14-20-18-8-4-2-6-16(18)10-12-22(20)25/h1-13,24-25H,14H2"	C1=CC=C2C(=C1)C=CC(=C2CN=CC3=C(C=CC4=CC=CC=C43)O)O	FQPAVMLGOVHHFR-UHFFFAOYSA-N
DG51359	"2-(3,4-Dimethoxyphenyl)benzothiazole"	241105	"2-(3,4-Dimethoxyphenyl)benzothiazole; 2-(3,4-dimethoxyphenyl)-1,3-benzothiazole; 6638-45-5; Benzothiazole, 2-(3,4-dimethoxyphenyl)-; CHEMBL201610; Benzothiazole,2-(3,5-dimethoxyphenyl)-; 2-(3,4-Dimethoxyphenyl)Benzo[D]Thiazol; NSC48229; 2-(3,4-DIMETHOXY-PHENYL)-BENZOTHIAZOLE; SCHEMBL4799251; NIOSH/DL3650000; DTXSID20985022; ZINC1508712; AC6560; ARK100766; BDBM50293115; MFCD00993892; NSC-48229; STL497886; AKOS030211284; SY046137; 2-(3,4-Dimethoxyphenyl)Benzo[D]Thiazole; DL36500000; A838684; A924134"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48229	.	.	.	.	271.3	C15H13NO2S	59.6	302	4.2	19	0	4	3	"InChI=1S/C15H13NO2S/c1-17-12-8-7-10(9-13(12)18-2)15-16-11-5-3-4-6-14(11)19-15/h3-9H,1-2H3"	COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)OC	JMSHSEQKUVZWNO-UHFFFAOYSA-N
DG51360	4-(4-Arsonobenzyl)phenylarsonic acid	241158	NSC48300; NSC-48300; NCIStruc1_000983; NCIStruc2_001130; SCHEMBL345316; ANTINEOPLASTIC-48300; CHEMBL1091971; NCI48300; CCG-37340; NCGC00013593; 4-(4-arsonobenzyl)phenylarsonic acid; NCGC00013593-02; NCGC00096706-01; NCI60_004149	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48300	.	.	.	.	416.09	C13H14As2O6	115	386	.	21	4	6	4	"InChI=1S/C13H14As2O6/c16-14(17,18)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)15(19,20)21/h1-8H,9H2,(H2,16,17,18)(H2,19,20,21)"	C1=CC(=CC=C1CC2=CC=C(C=C2)[As](=O)(O)O)[As](=O)(O)O	LONYFCOVHHQLGM-UHFFFAOYSA-N
DG51361	"2-Ethylsulfanylnaphthalene-1,4-dione"	241362	"GNF-Pf-2144; CHEMBL531383; 2-ethylthio-1,4-naphthoquinone; 36623-66-2; 2-ethylsulfanylnaphthalene-1,4-dione; NSC48648; SCHEMBL2599376; DTXSID90287020; BDBM50430488; NSC-48648; 2-(ethylsulfanyl)-1,4-dihydronaphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48648	.	.	.	.	218.27	C12H10O2S	59.4	320	2.4	15	0	3	2	"InChI=1S/C12H10O2S/c1-2-15-11-7-10(13)8-5-3-4-6-9(8)12(11)14/h3-7H,2H2,1H3"	CCSC1=CC(=O)C2=CC=CC=C2C1=O	JTIVMHQHPSUHGV-UHFFFAOYSA-N
DG51362	"2,2'-[(Methylazanediyl)bis(methylene)]bis(4,6-dibromophenol)"	241461	"92434-82-7; NSC48856; DTXSID80287074; ZINC1681076; NSC-48856; 2,2'-[(Methylazanediyl)bis(methylene)]bis(4,6-dibromophenol)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48856	.	.	.	.	558.9	C15H13Br4NO2	43.7	330	5.3	22	2	3	4	"InChI=1S/C15H13Br4NO2/c1-20(6-8-2-10(16)4-12(18)14(8)21)7-9-3-11(17)5-13(19)15(9)22/h2-5,21-22H,6-7H2,1H3"	CN(CC1=C(C(=CC(=C1)Br)Br)O)CC2=C(C(=CC(=C2)Br)Br)O	GPUQTFCKYDVYTD-UHFFFAOYSA-N
DG51363	"2,6-Dichloro-4-((cyclohexyl(3,5-dichloro-4-hydroxybenzyl)amino)methyl)phenol"	241476	"NSC48874; 6640-40-0; NSC-48874; 2,6-dichloro-4-((cyclohexyl(3,5-dichloro-4-hydroxybenzyl)amino)methyl)phenol; Probes1_000359; Probes2_000027; NCIStruc1_001225; NCIStruc2_001250; CHEMBL1491009; DTXSID10287082; NCI48874; CCG-37188; NCGC00013610; ZINC31628985; NCGC00013610-02; NCGC00096722-01; NCI60_004171"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48874	.	.	.	.	449.2	C20H21Cl4NO2	43.7	409	6.9	27	2	3	5	"InChI=1S/C20H21Cl4NO2/c21-15-6-12(7-16(22)19(15)26)10-25(14-4-2-1-3-5-14)11-13-8-17(23)20(27)18(24)9-13/h6-9,14,26-27H,1-5,10-11H2"	C1CCC(CC1)N(CC2=CC(=C(C(=C2)Cl)O)Cl)CC3=CC(=C(C(=C3)Cl)O)Cl	LKJZEILBCMUOMY-UHFFFAOYSA-N
DG51364	"1,2,3,4-Tetrahydroquinolin-8-ol"	241490	"6640-50-2; 1,2,3,4-tetrahydroquinolin-8-ol; 8-hydroxy-1,2,3,4-tetrahydroquinoline; 1,2,3,4-tetrahydro-8-hydroxyquinoline; 1,2,3,4-Tetrahydro-quinolin-8-ol; 8-Quinolinol, 1,2,3,4-tetrahydro-; 8-hydroxy-1,2,3,4-tetrahydro-quinoline; 1,2,3,4-tetrahydro-8-quinolinol; MFCD02656029; NSC48890; Oprea1_810842; SCHEMBL327043; DTXSID00287096; HMS1685G10; ZINC332911; ACT10761; 1,2,3,4-Tetrahydroquinoline-8-ol; NSC-48890; STK771614; AKOS000122477; AC-9571; CS-W002942; ET-0012; MCULE-2707448798; SY010056; METHYL3-(3-BORONOPHENYL)PROPIONATE; 8-HYDROXY-1234-TETRAHYDROQUINOLINE; DB-029391; AM20061046; BB 0216335; FT-0606193; W7741; EN300-07172; 1,2,3,4-Tetrahydroquinolin-8-ol, AldrichCPR; A26301; 640T502; AF-399/25108090; J-519264; J-519441; Z57001601"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48890	.	.	.	.	149.19	C9H11NO	32.299	138	1.9	11	2	2	0	"InChI=1S/C9H11NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,10-11H,2,4,6H2"	C1CC2=C(C(=CC=C2)O)NC1	WYKWUPMZBGOFOV-UHFFFAOYSA-N
DG51365	8-Hydroxy-5-quinolyl phenyl ketone	241492	8-Hydroxy-5-quinolyl phenyl ketone; 1028-71-3; NSC48892; 5-benzoyl-8-quinolinol; 5-BENZOYLQUINOLIN-8-OL; SCHEMBL10582092; DTXSID60287097; ZINC8616897; NSC-48892; AKOS019823279; (8-hydroxyquinolin-5-yl)phenylmethanone; (8-hydroxy-5-quinolyl)-phenyl-methanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48892	.	.	.	.	249.26	C16H11NO2	50.2	325	3.6	19	1	3	2	"InChI=1S/C16H11NO2/c18-14-9-8-13(12-7-4-10-17-15(12)14)16(19)11-5-2-1-3-6-11/h1-10,18H"	C1=CC=C(C=C1)C(=O)C2=C3C=CC=NC3=C(C=C2)O	JVHWRVMKLLDQHF-UHFFFAOYSA-N
DG51366	"1,2,3,4-Tetrahydroquinoxalin-6-amine"	241506	"1,2,3,4-tetrahydroquinoxalin-6-amine; 6639-91-4; 1,2,3,4-TETRAHYDRO-QUINOXALIN-6-YLAMINE; NSC48956; 6-aminotetrahydroquinoxalin; SCHEMBL8090871; CHEMBL2006838; DTXSID50985035; ZINC8615315; 0199AC; NSC-48956; AKOS006326418; A913826"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48956	.	.	.	.	149.19	C8H11N3	50.1	137	1	11	3	3	0	"InChI=1S/C8H11N3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10-11H,3-4,9H2"	C1CNC2=C(N1)C=CC(=C2)N	HNWOXIYAKHJJIM-UHFFFAOYSA-N
DG51367	"2,5-dimethyl-N-(4-methylphenyl)benzenesulfonamide"	241732	"2,5-dimethyl-N-(4-methylphenyl)benzenesulfonamide; 477483-36-6; NSC49565; ZINC1681448; MFCD03193020; NSC-49565; STL405613; AKOS003979688; MCULE-4498861767; AG-690/15438096"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	49565	.	.	.	.	275.4	C15H17NO2S	54.6	379	3.5	19	1	3	3	"InChI=1S/C15H17NO2S/c1-11-5-8-14(9-6-11)16-19(17,18)15-10-12(2)4-7-13(15)3/h4-10,16H,1-3H3"	CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C)C	RXODHAOSXMZWRZ-UHFFFAOYSA-N
DG51368	"2-(N,N-Bis(2-bromoethyl)amino)fluorene"	241801	"n,n-bis(2-bromoethyl)-9h-fluoren-2-amine; 2-(N,N-BIS(2-BROMOETHYL)AMINO)FLUORENE; 6036-92-6; NSC49670; ZINC1681524; NSC-49670; NSC142543; AKOS024432066; MCULE-1595925280; NSC-142543; 9H-Fluoren-2-amine,N-bis(2-bromoethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	142543	.	.	.	.	395.1	C17H17Br2N	3.2	303	5.5	20	0	1	5	"InChI=1S/C17H17Br2N/c18-7-9-20(10-8-19)15-5-6-17-14(12-15)11-13-3-1-2-4-16(13)17/h1-6,12H,7-11H2"	C1C2=CC=CC=C2C3=C1C=C(C=C3)N(CCBr)CCBr	WXJPSQUPGYKDNY-UHFFFAOYSA-N
DG51369	Benzhydrylsulfonylsulfanylmethylbenzene	241855	NSC49733; benzhydrylsulfonylsulfanylmethylbenzene; CHEMBL1978189; ZINC1681586; NSC-49733; S-Benzyl diphenylmethanesulfonothioate; NCI60_004197	.	.	Investigative Drug(s)	Investigative	Small molecular drug	49733	.	.	.	.	354.5	C20H18O2S2	67.8	433	4.7	24	0	3	6	"InChI=1S/C20H18O2S2/c21-24(22,23-16-17-10-4-1-5-11-17)20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2"	C1=CC=C(C=C1)CSS(=O)(=O)C(C2=CC=CC=C2)C3=CC=CC=C3	XINRYQIHCBXJRR-UHFFFAOYSA-N
DG51370	Vincaleukoblastine sulfate	241902	"Vinblastine sulfate; 143-67-9; VLB monosulfate; Vinblastine 5; Vincaleukoblastine sulfate; Vinblastine sulphate; Velban (TN); Exal (TN); Vincaleukoblastine sulfate (1:1) (salt); Belvan, VLB; NSC49842; NSC 49842; CHEBI:9984; Vincaleucoblastine sulfate; 29060 LE; Vincaleukoblastine sulfate salt; MFCD08706468; Vinblastine, hydrate; MFCD00082457; Velban (TN) (Lilly); Vincaleukoblastine, hydrate; Vinblastine Sulfate Hydrate; SCHEMBL3550; Vincaleukoblastine, monohydrate; CHEMBL376464; C46H58N4O9.H2SO4; C46H60N4O13S; Vinblastine sulfate (JP17/USP); DTXSID601017133; HMS3412C14; HMS3676C14; AKOS024456494; AS-12480; FT-0603354; VLB; D01068; Q27108547; Z2241984238; 1217677-42-3; methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5(10),6,8-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2,4,6,13-tetraene-10-carboxylate; sulfuric acid; WLN: T C6 B5665/BS 2AB S BX IN QN NU & & TTTJ FO1 I1 KVO1 KQ LOV1 M2 E-CT F6 D596A EN ON & & TTJ CVO1 Q; WLN: T C6 B5665/BS 2AB S BX IN QN NU & & TTTJ FO1 I1 KVO1 KQ LOV1 M2 E-CT F6D596A EN ON & & TTJ CVO1 Q"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	49842	.	.	.	.	909.1	C46H60N4O13S	237	1780	.	64	5	16	10	"InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1"	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O	KDQAABAKXDWYSZ-JKDPCDLQSA-N
DG51371	"2-(2-Chlorophenyl)-2,3-dihydro-4h-chromen-4-one"	242063	"2-(2-chlorophenyl)-2,3-dihydrochromen-4-one; 2-(2-chlorophenyl)-2,3-dihydro-4h-chromen-4-one; 6344-24-7; NSC-50188; 2'-Chloroflavanone; NSC50188; Maybridge3_005227; CHEMBL483389; SCHEMBL1891296; DTXSID00287298; HMS1445N13; CCG-249076; MCULE-2628037339; IDI1_016614; NCI60_004207"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50188	.	.	.	.	258.7	C15H11ClO2	26.3	318	3.5	18	0	2	1	"InChI=1S/C15H11ClO2/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15H,9H2"	C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3Cl	UHPRBHSQHQJOQU-UHFFFAOYSA-N
DG51372	3'-Chloroflavanone	242064	"3'-Chloroflavanone; NSC-50189; 1849-59-8; 2-(3-chlorophenyl)chroman-4-one; NSC50189; CHEMBL450820; SCHEMBL11246346; DTXSID60287299; NCI60_004208; 4H-1-Benzopyran-4-one, 2-(3-chlorophenyl)-2,3-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50189	.	.	.	.	258.7	C15H11ClO2	26.3	318	3.5	18	0	2	1	"InChI=1S/C15H11ClO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-8,15H,9H2"	C1C(OC2=CC=CC=C2C1=O)C3=CC(=CC=C3)Cl	MJHFWRDRSUAJIU-UHFFFAOYSA-N
DG51373	4'-Chloroflavanone	242065	"4'-Chloroflavanone; 2-(4-chlorophenyl)chroman-4-one; NSC-50190; NSC50190; 4'-chloro flavanone; 2-(4-chlorophenyl)-2,3-dihydrochromen-4-one; Oprea1_441212; 3034-10-4; CHEMBL482791; SCHEMBL11049080; NCI60_004209; EU-0019351; A836588; SR-01000533114; SR-01000533114-1; 2-(4-chlorophenyl)-3,4-dihydro-2H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 2-(4-chlorophenyl)-2,3-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50190	.	.	.	.	258.7	C15H11ClO2	26.3	310	3.8	18	0	2	1	"InChI=1S/C15H11ClO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15H,9H2"	C1C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)Cl	WPHGNXFETYBHNT-UHFFFAOYSA-N
DG51374	"Pyridine, 3-[[4-[bis(2-chloroethyl)amino]-2-methylbenzylidene]amino]-"	242100	"NSC50273; ZINC1681845; NSC-50273; Pyridine, 3-[[4-[bis(2-chloroethyl)amino]-2-methylbenzylidene]amino]-; ZINC104372280; 3-Pyridinamine, N-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylene]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50273	.	.	.	.	336.3	C17H19Cl2N3	28.5	332	3.8	22	0	3	7	"InChI=1S/C17H19Cl2N3/c1-14-11-17(22(9-6-18)10-7-19)5-4-15(14)12-21-16-3-2-8-20-13-16/h2-5,8,11-13H,6-7,9-10H2,1H3"	CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=CN=CC=C2	CHMHREPQHIKYOA-UHFFFAOYSA-N
DG51375	"4-((2,4-Dichlorobenzyl)thio)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-ylamine"	242225	"NSC50567; NSC-50567; NCIStruc1_001187; NCIStruc2_001299; CHEMBL1525822; SCHEMBL14216635; NCI50567; ZINC1682024; CCG-36971; NCGC00013629; NCGC00013629-02; NCGC00096741-01; NCI60_004215; 4-((2,4-dichlorobenzyl)thio)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50567	.	.	.	.	365.3	C16H14Cl2N4S	90	402	4.8	23	1	5	3	"InChI=1S/C16H14Cl2N4S/c1-8-5-9(2)20-14-13(8)15(22-16(19)21-14)23-7-10-3-4-11(17)6-12(10)18/h3-6H,7H2,1-2H3,(H2,19,20,21,22)"	CC1=CC(=NC2=C1C(=NC(=N2)N)SCC3=C(C=C(C=C3)Cl)Cl)C	DKPSMHAGCCPLMX-UHFFFAOYSA-N
DG51376	1-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide	242249	MLS000736670; NSC50648; 1-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide; SMR000528239; 71835-65-9; 1-hydroxy-n-(3-nitrophenyl)-2-naphthamide; Oprea1_406416; cid_242249; CHEMBL1568877; SCHEMBL10890501; BDBM54386; DTXSID10992548; HMS2886O03; ZINC615883; NSC-50648; STK366297; AKOS005443215; MCULE-9311680229; MLS-0292305.0001; SR-01000286295; SR-01000286295-1; 1-hydroxy-N-(3-nitrophenyl)-2-naphthalenecarboxamide; N-(3-nitrophenyl)-1-oxidanyl-naphthalene-2-carboxamide; 1-Hydroxy-N-(3-nitrophenyl)naphthalene-2-carboximidic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50648	.	.	.	.	308.29	C17H12N2O4	95.2	450	4	23	2	4	2	"InChI=1S/C17H12N2O4/c20-16-14-7-2-1-4-11(14)8-9-15(16)17(21)18-12-5-3-6-13(10-12)19(22)23/h1-10,20H,(H,18,21)"	C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]	CPIKPLOLVMTKGG-UHFFFAOYSA-N
DG51377	"5-(3,4,5-Trimethoxybenzoyl)-1,3-benzodioxole"	242314	"CHEMBL44914; MLS002667410; 6327-54-4; NSC50869; SCHEMBL6454938; DTXSID00287394; HMS3079K10; ZINC1682186; NSC-50869; SMR001557176; 5-(3,4,5-Trimethoxybenzoyl)-1,3-benzodioxole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50869	.	.	.	.	316.3	C17H16O6	63.2	400	3	23	0	6	5	"InChI=1S/C17H16O6/c1-19-14-7-11(8-15(20-2)17(14)21-3)16(18)10-4-5-12-13(6-10)23-9-22-12/h4-8H,9H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC3=C(C=C2)OCO3	OIUSXYOSZDCLLJ-UHFFFAOYSA-N
DG51378	N-Acetylcolchinol	242436	"N-Acetylcolchinol; N-Acetyl colchinol; N-Acetylcolchicinol; 38838-26-5; Colchinol, N-acetyl-; SKF 2861; RSO 23274; UNII-US8HXQ60IM; US8HXQ60IM; MLS002667429; N-acetyl-colchinol; MLS001243434; CHEMBL486504; SCHEMBL5441108; DTXSID00959625; HMS2216F24; NCI 1894; NSC51045; ZINC3993835; NSC-51045; NCGC00247400-01; SMR000841585; N-(3-Hydroxy-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c][7]annulen-5-yl)ethanimidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51045	.	.	.	.	357.4	C20H23NO5	77	487	2.6	26	2	5	4	"InChI=1S/C20H23NO5/c1-11(22)21-16-8-5-12-9-17(24-2)19(25-3)20(26-4)18(12)14-7-6-13(23)10-15(14)16/h6-7,9-10,16,23H,5,8H2,1-4H3,(H,21,22)/t16-/m0/s1"	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)O)OC)OC)OC	WJJZQSCOTJYYSP-INIZCTEOSA-N
DG51379	"2,3-Dihydro-1H-imidazo[1,2-b]pyrazole"	242471	"2,3-Dihydro-1H-imidazo[1,2-b]pyrazole; 6714-29-0; IMPY; Pyrazolo(2,3-a)imidazolidine; BA 21381; Imidazole-Pyrazole; NSC 51143; 2,3-Dihydro-1H-imidazo(1,2-b)pyrazole; 1H-Imidazo[1,2-b]pyrazole, 2,3-dihydro-; 1H-Pyrazolo(2,3-a)imidazole, 2,3-dihydro-; UNII-MX6Z942BKY; MX6Z942BKY; 1H-Imidazo[1,2-b]pyrazole,2,3-dihydro-; 1H-Imidazo(1,2-b)pyrazole, 2,3-dihydro-; Imidazolepyrazole; NSC51143; 2,2-b]pyrazole; pyrazoloimidazole; Pyrazolo[2,3-a]imidazolidine; 1H-Imidazo[1, 2,3-dihydro-; IMPY (antitumor agent); EINECS 229-769-2; NSC 174124; NSC 641280; BRN 0742753; AI3-63108; SCHEMBL1680162; SCHEMBL8833142; ZINC1555; CHEMBL1985849; DTXSID10878792; 1H-Pyrazolo[2, 2,3-dihydro-; MFCD00034805; NSC-51143; NSC174124; 1H,2H,3H-pyrazolo[1,5-a]imidazole; AKOS006348107; NSC-174124; NCI60_004236; 2,3-dihydro-1h-imidazolo[1,2-b]pyrazole; 2,3-dihydro-1H-imidazo[1,2-b]-pyrazole; 2,3-dihydro-1H-pyrazolo[1,5-a]imidazole; DB-073841; FT-0736032; W18662; F2147-1248; Z2692198900"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51143	.	.	.	.	109.13	C5H7N3	29.8	93.7	0.3	8	1	2	0	"InChI=1S/C5H7N3/c1-2-7-8-4-3-6-5(1)8/h1-2,6H,3-4H2"	C1CN2C(=CC=N2)N1	KPMVHELZNRNSMN-UHFFFAOYSA-N
DG51380	"3-(1,3-Benzothiazol-2-yl)phenol"	242605	"3-(1,3-benzothiazol-2-yl)phenol; 25389-28-0; MLS000063319; SMR000074978; C13H9NOS; Phenol,3-(2-benzothiazolyl)-; NSC51369; 3-(Benzothiazole-2-yl)phenol; CHEMBL149322; cid_242605; SCHEMBL2248827; BDBM33577; 2-(3-hydroxyphenyl)benzothiazole; 3-(benzo[d]thiazol-2-yl)phenol; DTXSID70287508; HMS2290D17; ZINC520300; ARK100537; NSC-51369; STL354265; AKOS003289889; MCULE-3752004537; NCI60_004244; 10.14272/JIWVTDBBMGSTFI-UHFFFAOYSA-N; doi:10.14272/JIWVTDBBMGSTFI-UHFFFAOYSA-N; SR-01000270411; SR-01000270411-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51369	.	.	.	.	227.28	C13H9NOS	61.4	248	3.9	16	1	3	1	"InChI=1S/C13H9NOS/c15-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)16-13/h1-8,15H"	C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)O	JIWVTDBBMGSTFI-UHFFFAOYSA-N
DG51381	"n,n'-[2,5-Bis(aziridin-1-yl)-3,6-dioxocyclohexa-1,4-diene-1,4-diyl]diheptanamide"	242907	"4873-41-0; NSC51916; n,n'-[2,5-bis(aziridin-1-yl)-3,6-dioxocyclohexa-1,4-diene-1,4-diyl]diheptanamide; DTXSID10287643; NSC-51916; ZINC104374040; Heptanamide,N'-[3,6-bis(1-aziridinyl)-p-benzoquinon-2,5-ylene]bis-; Heptanamide,N'-[2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51916	.	.	.	.	444.6	C24H36N4O4	98.4	754	3.3	32	2	6	14	"InChI=1S/C24H36N4O4/c1-3-5-7-9-11-17(29)25-19-21(27-13-14-27)24(32)20(22(23(19)31)28-15-16-28)26-18(30)12-10-8-6-4-2/h3-16H2,1-2H3,(H,25,29)(H,26,30)"	CCCCCCC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)CCCCCC)N3CC3	DGHMMLJLIHHGAO-UHFFFAOYSA-N
DG51382	"1,4-Bis[(4-bromophenyl)sulfonyl]piperazine"	242937	"1,4-bis[(4-bromophenyl)sulfonyl]piperazine; NSC52003; NSC-52003; 107785-47-7; 1,4-bis((4-bromophenyl)sulfonyl)piperazine; NCIStruc1_000101; NCIStruc2_001550; Oprea1_152050; SCHEMBL9344505; CHEMBL1741464; ZINC703672; NCI52003; CCG-37479; NCGC00013645; AKOS000807450; MCULE-1785141270; NCGC00013645-02; NCGC00096757-01; NCI60_004259; 1,4-bis(4-bromobenzenesulfonyl)piperazine; N,N'-bis(4-bromobenzenesulfonyl)piperazine; AF-399/14739252; SR-01000444814; SR-01000444814-1; Z45412613"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	52003	.	.	.	.	524.3	C16H16Br2N2O4S2	91.5	606	3.1	26	0	6	4	"InChI=1S/C16H16Br2N2O4S2/c17-13-1-5-15(6-2-13)25(21,22)19-9-11-20(12-10-19)26(23,24)16-7-3-14(18)4-8-16/h1-8H,9-12H2"	C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)Br	DDRUIQJRPPUKBI-UHFFFAOYSA-N
DG51383	"1,5-Dimethyl-16-azahexacyclo[11.11.0.02,10.05,9.015,23.017,22]tetracosa-15(23),17,19,21-tetraen-6-ol"	243149	MLS000736682; NSC60785; 22847-86-5; NCIOpen2_007742; CHEMBL4296828; SCHEMBL18310344; DTXSID30287761; NSC52422; NSC-52422; NSC-60785; SMR000528288	.	.	Investigative Drug(s)	Investigative	Small molecular drug	60785	.	.	.	.	363.5	C25H33NO	36	605	6.1	27	2	1	0	"InChI=1S/C25H33NO/c1-24-12-11-20-17(19(24)9-10-23(24)27)8-7-15-13-22-18(14-25(15,20)2)16-5-3-4-6-21(16)26-22/h3-6,15,17,19-20,23,26-27H,7-14H2,1-2H3"	CC12CCC3C(C1CCC2O)CCC4C3(CC5=C(C4)NC6=CC=CC=C56)C	XAPHYNIJAGNNNA-UHFFFAOYSA-N
DG51384	6-((4-chlorobenzyl)thio)-9-tetrahydro-2H-pyran-2-yl-9H-purine	243154	NSC52440; MLS002667535; NSC-52440; CHEMBL1734803; HMS3080M04; 6-((4-chlorobenzyl)thio)-9-tetrahydro-2H-pyran-2-yl-9H-purine; NCI60_004278; SMR001557301	.	.	Investigative Drug(s)	Investigative	Small molecular drug	52440	.	.	.	.	360.9	C17H17ClN4OS	78.1	410	3.8	24	0	5	4	"InChI=1S/C17H17ClN4OS/c18-13-6-4-12(5-7-13)9-24-17-15-16(19-10-20-17)22(11-21-15)14-3-1-2-8-23-14/h4-7,10-11,14H,1-3,8-9H2"	C1CCOC(C1)N2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)Cl	OCKAZLMFYPPBPL-UHFFFAOYSA-N
DG51385	"1-(2-Naphthalenyl)-1H-pyrrole-2,5-dione"	243251	"6637-45-2; 1-(2-Naphthalenyl)-1H-pyrrole-2,5-dione; 1-(Naphthalen-2-yl)-1H-pyrrole-2,5-dione; 1-naphthalen-2-ylpyrrole-2,5-dione; N-(2-Naphthalenyl)maleimide; MLS002667550; CHEMBL1714292; 1-(naphthalen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione; 1H-Pyrrole-2,5-dione,1-(2-naphthalenyl)-; NSC52627; N-(2-Naphthyl)maleimide; SCHEMBL2146237; ZINC50805; DTXSID70287821; HMS1775D19; HMS3079E12; BDBM50076447; MFCD00443960; NSC-52627; AKOS000116785; MCULE-3093840254; 1-(2-naphthyl)-1H-pyrrole-2,5-dione; SMR001557316; DB-073745; 1-(Naphthalen-2-yl)-1h-pyrrol-2,5-dione; CS-0219426; EU-0051201; FT-0605554; EN300-03981; SR-01000085969; J-503585; SR-01000085969-1; Z56755395"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	52627	.	.	.	.	223.23	C14H9NO2	37.4	356	2.3	17	0	2	1	InChI=1S/C14H9NO2/c16-13-7-8-14(17)15(13)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H	C1=CC=C2C=C(C=CC2=C1)N3C(=O)C=CC3=O	ISPTVBCAVIHHEF-UHFFFAOYSA-N
DG51386	"2,4,5-Trichloro-6-phenylpyrimidine"	243422	"86984-19-2; 2,4,5-trichloro-6-phenylpyrimidine; NSC53184; CHEMBL1991696; DTXSID60287895; ZINC1684367; NSC-53184; Pyrimidine, 2,4,5-trichloro-6-phenyl-; NCI60_004308"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	53184	.	.	.	.	259.5	C10H5Cl3N2	25.8	209	4.4	15	0	2	1	InChI=1S/C10H5Cl3N2/c11-7-8(6-4-2-1-3-5-6)14-10(13)15-9(7)12/h1-5H	C1=CC=C(C=C1)C2=C(C(=NC(=N2)Cl)Cl)Cl	SWSUERHELGJKRQ-UHFFFAOYSA-N
DG51387	Ethyl 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate	243456	13555-25-4; NSC53292; CHEMBL2003419; DTXSID80929048; NSC-53292; NCI60_004310; N-(3-{4-[Bis(2-chloroethyl)amino]phenyl}-1-ethoxy-1-oxopropan-2-yl)-2-[(1-hydroxyethylidene)amino]-3-phenylpropanimidic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	53292	.	.	.	.	522.5	C26H33Cl2N3O4	87.7	647	3.5	35	2	5	15	"InChI=1S/C26H33Cl2N3O4/c1-3-35-26(34)24(18-21-9-11-22(12-10-21)31(15-13-27)16-14-28)30-25(33)23(29-19(2)32)17-20-7-5-4-6-8-20/h4-12,23-24H,3,13-18H2,1-2H3,(H,29,32)(H,30,33)"	CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(CC2=CC=CC=C2)NC(=O)C	DGOPINOGGYUGAU-UHFFFAOYSA-N
DG51388	Actodigin	243498	"ACTODIGIN; Actinogen; ACTINOGAN; NSC53396; A 15920K644; 36983-69-4; NSC-53396; NCI60_004313; A 15920 K644; (3Beta,5beta,14beta,17beta)-14-hydroxy-17-(2-oxo-2,5-dihydrofuran-3-yl)androstan-3-yl hexopyranoside; 24-Nor-5, 3-(.beta.-D-glucopyranosyloxy)-14,23-dihydroxy-, .gamma.-lactone, (3.beta.,5.beta.,14.beta.)-; 24-Norchol-20(22)-en-21-oic acid,23-dihydroxy-, .gamma.-lactone, (3.beta.,5.beta.,14.beta.)-; 3.beta.-(.beta.-D-Glucopyranosyloxy)-14,14.beta.-chol-20(22)-en-21-oic acid .gamma.-lactone; 4-[(3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	53396	.	.	.	.	536.7	C29H44O9	146	970	2.1	38	5	9	4	"InChI=1S/C29H44O9/c1-27-9-5-16(37-26-24(33)23(32)22(31)21(14-30)38-26)13-15(27)3-4-20-19(27)6-10-28(2)18(7-11-29(20,28)35)17-8-12-36-25(17)34/h8,15-16,18-24,26,30-33,35H,3-7,9-14H2,1-2H3/t15-,16+,18-,19+,20-,21 ,22 ,23 ,24 ,26 ,27+,28-,29+/m1/s1"	C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CCOC5=O)O)C)OC6C(C(C(C(O6)CO)O)O)O	ACLJAFRNPZVVIW-SBCQLKMNSA-N
DG51389	2-[(4-Bromophenyl)diazenyl]propan-2-yl acetate	243545	NSC53454; 2-[(4-bromophenyl)diazenyl]propan-2-yl acetate; 6943-54-0; NSC-53454; NCIStruc1_000468; NCIStruc2_000627; CHEMBL1362501; CHEMBL1977859; DTXSID20287932; CCG-37671; NCGC00013659; ZINC18099112; ZINC100133944; ZINC257351426; NCGC00013659-02; NCGC00096771-01; NCI60_004315; 1-((4-bromophenyl)diazenyl)-1-methylethyl acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	53454	.	.	.	.	285.14	C11H13BrN2O2	51	271	3.2	16	0	4	4	"InChI=1S/C11H13BrN2O2/c1-8(15)16-11(2,3)14-13-10-6-4-9(12)5-7-10/h4-7H,1-3H3"	CC(=O)OC(C)(C)N=NC1=CC=C(C=C1)Br	DZWBCPXUHPHPJR-UHFFFAOYSA-N
DG51390	Dihydrorotenone	243725	"Dihydrorotenone; 1',2'-Dihydrorotenone; 6659-45-6; Rotenone, dihydro-; S,S-Dihydrorotenone; 6',7'-Dihydrorotenone; UNII-538CX0LPPO; 538CX0LPPO; MLS000851173; NSC351138; SMR000457416; (1S,6R,13S)-16,17-dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one; 2-isopropyl-8,9-dimethoxy-1,2,6,6a,12,12a-hexahydrochromeno[3,4-b]furo[2,3-h]chromen-6-one; Caswell No. 353; Dihydrorotenone (VAN); Rotenone, dihydro- (VAN); [1]Benzopyrano[3,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethyl)-, [2R-(2.alpha.,6a.alpha.,12a.alpha.)]-; NSC 53866; EPA Pesticide Chemical Code 071002; NSC 351138; CHEMBL267630; cid_243725; DTXSID5041227; SCHEMBL19035536; BDBM97131; (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethyl)-, (2R,6aS,12aS)-; HY-N4202; NSC53866; ZINC2008906; CCG-53362; MFCD01662620; NSC-53866; AKOS024419416; NSC-351138; CS-0032420; SR-01000642530; SR-01000767777; SR-01000642530-1; SR-01000642530-2; SR-01000767777-2; Q27261081; WLN: T G5 D6 B666 CV HO MO PO DU- L GU- KTTTT&J IY1&U1 SO1 TO1; (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6a-alphah)-one, 1,2,12,12a-alpha-tetrahydro-2-alpha-isopropyl-8,9-dimethoxy-; (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aalphaH)-one, 1,2,12,12aalpha-tetrahydro-2alpha-isopropyl-8,9-dimethoxy- (8CI); (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethyl)-, (2R-(2alpha,6aalpha,12aalpha))- (9CI); [1]Benzopyrano[3,3-h][1]benzopyran-6(6a.alpha.H)-one, 1,2,12,12a.alpha.-tetrahydro-2.alpha.-isopropyl-8,9-dimethoxy-; 2-ISOPROPYL-8,9-DI-MEO-1,2,12,12A-4H-6AH-CHROMENO(3,4-B)FURO(2,3-H)CHROMEN-6-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	53866	.	.	.	.	396.4	C23H24O6	63.2	623	4.2	29	0	6	3	"InChI=1S/C23H24O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,11,16,20-21H,8,10H2,1-4H3/t16-,20-,21+/m1/s1"	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N
DG51391	6alpha-Methyl-21-desoxycortisol	243748	"UNII-6ZKS9Y205V; 6alpha-Methyl-21-desoxycortisol; NSC53892; 6ZKS9Y205V; 7055-53-0; CHEBI:79464; 6alpha-Methyl-11beta,17alpha-dihydroxyprogesterone; 11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione; NSC-53892; SCHEMBL3395657; CHEMBL1999888; 11beta-Hydroxymedroxyprogesterone; ZINC4722534; NSC 53892; NCI60_004326; Q27148533; 11beta,17-dihydroxy-6alpha-methyl-pregn-4-ene-3,20-dione; Pregn-4-ene-3, 11.beta.,17-dihydroxy-6.alpha.-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	53892	.	.	.	.	360.5	C22H32O4	74.6	696	2	26	2	4	1	"InChI=1S/C22H32O4/c1-12-9-15-16-6-8-22(26,13(2)23)21(16,4)11-18(25)19(15)20(3)7-5-14(24)10-17(12)20/h10,12,15-16,18-19,25-26H,5-9,11H2,1-4H3/t12-,15-,16-,18-,19+,20-,21-,22-/m0/s1"	C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)CC4)C)O)C)(C(=O)C)O	VSGTWMOZGFNRPM-RSWUNGFYSA-N
DG51392	"Adenine, 9,9'ethylenebis(N,N-dimethyl-"	243877	"NSC54101; MLS002667655; NSC-54101; NCIStruc1_001183; NCIStruc2_001573; CHEMBL1414688; HMS3080E24; NCI54101; ZINC1684962; Adenine,9'ethylenebis(N,N-dimethyl-; CCG-37005; NCGC00013665; NCGC00013665-02; NCGC00096777-01; Adenine, 9,9'ethylenebis(N,N-dimethyl-; NCI60_004336; SMR001557415; 1H-Purin-6-amine,9'-ethylenebis(N,N-dimethyl-; 9,9'-Ethylenebis(N,N-dimethyl-9H-purine-6-amine); N-(9-(2-(6-(dimethylamino)-9H-purin-9-yl)ethyl)-9H-purin-6-yl)-N,N-dimethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54101	.	.	.	.	352.4	C16H20N10	93.7	432	0.7	26	0	8	5	"InChI=1S/C16H20N10/c1-23(2)13-11-15(19-7-17-13)25(9-21-11)5-6-26-10-22-12-14(24(3)4)18-8-20-16(12)26/h7-10H,5-6H2,1-4H3"	CN(C)C1=NC=NC2=C1N=CN2CCN3C=NC4=C3N=CN=C4N(C)C	RWDBBSOPBZYBEH-UHFFFAOYSA-N
DG51393	"2-[6-(2-Hydroxyethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	243943	"NSC54251; 2-[6-(2-hydroxyethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol; NSC-54251; Oprea1_420520; CBDivE_015141; CHEMBL296222; SCHEMBL20579787; DTXSID60874345; ADENOSINE,6N-2-HYDROXYETHYL; AKOS032947574; LS-14111; NCI60_004337; (2R,3R,4S,5R)-2-[6-(2-hydroxyethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54251	.	.	.	.	311.29	C12H17N5O5	146	378	-1.1	22	5	9	5	"InChI=1S/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)"	C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)NCCO	BBOCDRLDMQHWJP-UHFFFAOYSA-N
DG51394	"4-[(2-Chlorophenyl)methylsulfanyl]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-amine"	243964	"NSC54278; MLS002667679; 6944-16-7; NSC-54278; SMR001557439; NCIStruc1_001199; NCIStruc2_001453; cid_243964; CHEMBL1409396; BDBM96197; DTXSID60288125; HMS3080G20; NCI54278; ZINC1685092; CCG-36686; NCGC00013667; 4-[(2-chlorophenyl)methylsulfanyl]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-amine; NCGC00013667-02; NCGC00096779-01; NCI60_004338; [4-[(2-chlorobenzyl)thio]-6,7-dimethyl-pyrido[2,3-d]pyrimidin-2-yl]amine; 4-((2-chlorobenzyl)thio)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-ylamine; 4-[(2-chlorophenyl)methylthio]-6,7-dimethyl-2-pyrido[2,3-d]pyrimidinamine; 4-[(2-chlorophenyl)methylsulfanyl]-6,7-dimethyl-pyrido[2,3-d]pyrimidin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54278	.	.	.	.	330.8	C16H15ClN4S	90	372	4.2	22	1	5	3	"InChI=1S/C16H15ClN4S/c1-9-7-12-14(19-10(9)2)20-16(18)21-15(12)22-8-11-5-3-4-6-13(11)17/h3-7H,8H2,1-2H3,(H2,18,19,20,21)"	CC1=CC2=C(N=C1C)N=C(N=C2SCC3=CC=CC=C3Cl)N	IHYYXOQCBBWIHX-UHFFFAOYSA-N
DG51395	NSC54340	243988	"acetic acid;(2-amino-17-ethyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate; NSC54340; NSC-54340; CHEMBL1994016; 2-aminopregn-5-en-3-yl acetate acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54340	.	.	.	.	419.6	C25H41NO4	89.6	644	.	30	2	5	3	"InChI=1S/C23H37NO2.C2H4O2/c1-5-15-7-9-18-17-8-6-16-12-21(26-14(2)25)20(24)13-23(16,4)19(17)10-11-22(15,18)3;1-2(3)4/h6,15,17-21H,5,7-13,24H2,1-4H3;1H3,(H,3,4)"	CCC1CCC2C1(CCC3C2CC=C4C3(CC(C(C4)OC(=O)C)N)C)C.CC(=O)O	DBWJFDIGSQSORL-UHFFFAOYSA-N
DG51396	"2-(4-Nitrophenyl)-4,5-dihydro-1,3-oxazole"	244028	"2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole; 7465-63-6; 2-(4-Nitrophenyl)-4,5-dihydrooxazole; MLS000737294; oxazole, 4,5-dihydro-2-(4-nitrophenyl)-; NSC54393; Oxazole,4,5-dihydro-2-(4-nitrophenyl)-; SCHEMBL5611161; CHEMBL1577638; 2-(4-Nitrophenyl)-2-oxazoline; DTXSID10288155; HMS2885B24; ALBB-024126; ZINC1685188; MFCD06149933; NSC-54393; STK736137; AKOS001729169; MCULE-6497578242; 2-(4-nitrophenyl)-4,5-dihydro-oxazole; LS-07777; SMR000528251; AM20041108; CS-0319468; A915634"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54393	.	.	.	.	192.17	C9H8N2O3	67.4	251	1.3	14	0	4	1	"InChI=1S/C9H8N2O3/c12-11(13)8-3-1-7(2-4-8)9-10-5-6-14-9/h1-4H,5-6H2"	C1COC(=N1)C2=CC=C(C=C2)[N+](=O)[O-]	MPQNFLWWBYWJGE-UHFFFAOYSA-N
DG51397	(5-Chloro-2-hydroxyphenyl)acetic acid	244199	"24161-38-4; 5-chloro-2-hydroxyphenylacetic acid; (5-chloro-2-hydroxyphenyl)acetic acid; 2-(5-chloro-2-hydroxyphenyl)acetic acid; NSC54854; Benzeneacetic acid,5-chloro-2-hydroxy-; NSC-54854; 5-Chloro-2-hydroxybenzeneacetic acid; NCIStruc1_000133; NCIStruc2_000241; SCHEMBL3141863; CHEMBL1742083; DTXSID30288238; NCI54854; ZINC1685368; AC5703; CCG-36557; MFCD11840335; NCGC00013675; Benzeneacetic acid, 5-chloro-2-hydroxy-; NCGC00013675-02; NCGC00096787-01; (5-chloro-2-hydroxy-phenyl)-acetic acid; AS-82672; NCI60_004351; SY198913; FT-0728834"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54854	.	.	.	.	186.59	C8H7ClO3	57.5	172	1.2	12	2	3	2	"InChI=1S/C8H7ClO3/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,10H,4H2,(H,11,12)"	C1=CC(=C(C=C1Cl)CC(=O)O)O	MXOUPSVVAIWFKQ-UHFFFAOYSA-N
DG51398	"Propan-1-one,3-dichloro-1,3-bis(4-methylphenyl)-"	244246	"NSC54909; CHEMBL1982886; NSC-54909; NCI60_004352; Propan-1-one,3-dichloro-1,3-bis(4-methylphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54909	.	.	.	.	307.2	C17H16Cl2O	17.1	315	5.1	20	0	1	4	"InChI=1S/C17H16Cl2O/c1-11-3-7-13(8-4-11)15(18)16(19)17(20)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3"	CC1=CC=C(C=C1)C(C(C(=O)C2=CC=C(C=C2)C)Cl)Cl	VCSMFHVDNSKBFV-UHFFFAOYSA-N
DG51399	2-(Neopentylamino)ethanol	244282	"2-(neopentylamino)ethanol; 7403-68-1; 2-(2,2-dimethylpropylamino)ethanol; 2-[(2,2-dimethylpropyl)amino]ethan-1-ol; NSC55114; NSC-55114; 2-((2,2-dimethylpropyl)amino)ethanol; 2-neopentylamino-ethanol; NCIStruc1_001910; NCIStruc2_000245; SCHEMBL3427332; CHEMBL1741333; DTXSID10288256; NCI55114; ZINC1685544; CCG-37666; NCGC00013677; AKOS010413900; MCULE-3218044438; NCGC00013677-02; NCGC00096789-01; NCI60_004355; EN300-71265; 557769-81-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	55114	.	.	.	.	131.22	C7H17NO	32.299	65.8	0.8	9	2	2	4	"InChI=1S/C7H17NO/c1-7(2,3)6-8-4-5-9/h8-9H,4-6H2,1-3H3"	CC(C)(C)CNCCO	MTPDACKXWMOHEB-UHFFFAOYSA-N
DG51400	n-(2-Nitrophenyl)-9h-xanthen-9-amine	244706	6630-79-1; n-(2-nitrophenyl)-9h-xanthen-9-amine; NSC55804; NCIOpen2_007419; DTXSID20288424; ZINC4707253; NSC-55804	.	.	Investigative Drug(s)	Investigative	Small molecular drug	55804	.	.	.	.	318.3	C19H14N2O3	67.1	430	5.1	24	1	4	2	"InChI=1S/C19H14N2O3/c22-21(23)16-10-4-3-9-15(16)20-19-13-7-1-5-11-17(13)24-18-12-6-2-8-14(18)19/h1-12,19-20H"	C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)NC4=CC=CC=C4[N+](=O)[O-]	UOUDUFDHSNINND-UHFFFAOYSA-N
DG51401	"[4-(4-Nitrophenyl)-4,5-dihydro-3h-pyrazol-3-yl](phenyl)methanone"	244737	"6631-09-0; [4-(4-nitrophenyl)-4,5-dihydro-3h-pyrazol-3-yl](phenyl)methanone; NSC55849; CHEMBL1997542; DTXSID40288441; NSC-55849; NCI60_004367"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	55849	.	.	.	.	295.29	C16H13N3O3	87.6	446	3.2	22	0	5	3	"InChI=1S/C16H13N3O3/c20-16(12-4-2-1-3-5-12)15-14(10-17-18-15)11-6-8-13(9-7-11)19(21)22/h1-9,14-15H,10H2"	C1C(C(N=N1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]	UZLZXBNRZHPDMM-UHFFFAOYSA-N
DG51402	"4-[(4-Hydroxyphenyl)(phenyl)methylidene]cyclohexa-2,5-dien-1-one"	244745	"Benzaurin; 569-60-8; NSC55861; 4-[(4-hydroxyphenyl)(phenyl)methylidene]cyclohexa-2,5-dien-1-one; CHEMBL1981412; SCHEMBL13123900; DTXSID40288446; ZINC4726295; NSC-55861"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	55861	.	.	.	.	274.3	C19H14O2	37.3	452	4.2	21	1	2	2	"InChI=1S/C19H14O2/c20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h1-13,20H"	C1=CC=C(C=C1)C(=C2C=CC(=O)C=C2)C3=CC=C(C=C3)O	IWNZKMGBKBEPSO-UHFFFAOYSA-N
DG51403	"1-(2-Ethylphenyl)-4-(3,4,5-trimethoxybenzoyl)piperazine"	244818	"NSC56030; 1-(2-Ethylphenyl)-4-(3,4,5-trimethoxybenzoyl)piperazine; [4-(2-ethylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone; 500532-47-8; (4-(2-ethylphenyl)piperazin-1-yl)(3,4,5-trimethoxyphenyl)methanone; Neuro_000022; CHEMBL1972064; Piperazine, 1-(o-ethylphenyl)-4-(3,4,5-trimethoxybenzoyl)-; Piperazine,4,5-trimethoxybenzoyl)-; ZINC1686703; AKOS001415823; MCULE-4321157821; NCI60_004368; VU0492740-1; AP-263/43302391; F3158-0136; 1-(2-ETHYLPHENYL)-4-(3,5-TRIMETHOXYBENZOYL)PIPERAZINE; Piperazine, 1-(2-ethylphenyl)-4-(3,4,5-trimethoxybenzoyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56030	.	.	.	.	384.5	C22H28N2O4	51.2	481	3.7	28	0	5	6	"InChI=1S/C22H28N2O4/c1-5-16-8-6-7-9-18(16)23-10-12-24(13-11-23)22(25)17-14-19(26-2)21(28-4)20(15-17)27-3/h6-9,14-15H,5,10-13H2,1-4H3"	CCC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC	GTFTUVWVYOUTFW-UHFFFAOYSA-N
DG51404	"5-[(5-bromo-6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-1H-pyrimidine-2,4-dione"	244944	"MLS002667811; 7356-33-4; NSC56287; CHEMBL1865168; DTXSID50288518; HMS3079B06; ZINC1686841; NSC-56287; NCI60_004373; SMR001557569; 5-((5-Bromo-6-chloro-2-(methylthio)pyrimidin-4-yl)amino)pyrimidine-2,4(1H,3H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56287	.	.	.	.	364.61	C9H7BrClN5O2S	121	423	1.9	19	3	6	3	"InChI=1S/C9H7BrClN5O2S/c1-19-9-14-5(11)4(10)6(15-9)13-3-2-12-8(18)16-7(3)17/h2H,1H3,(H,13,14,15)(H2,12,16,17,18)"	CSC1=NC(=C(C(=N1)Cl)Br)NC2=CNC(=O)NC2=O	CEQJPHHLURECQL-UHFFFAOYSA-N
DG51405	Porfiromycine	244989	"Porfiromycine; Porphyromycin; MLS000766209; Mitomycin C, N-methyl-; Methylmitomycin; CHEMBL1983333; Methyl mitomycin C; NSC56410; N-Methylmitomycin C; Regamycin; ENT-50825; Nsc 56410; Profiromycin; Neuro_000023; SCHEMBL5047; CHEBI:182803; HMS2270B05; Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-1,5-dimethyl-, carbamate (ester); BDBM50235885; AKOS030254763; NCGC00246835-01; NCI60_004377; SMR000528838; u 14743; FT-0673976; WLN: T D3 B556 BN EN JV MVTTT&J E1 GO1 H1OVZ KZ L1; (11-amino-7-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl)methyl carbamate; (6-Amino-8a-methoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate; (6-Amino-8a-methoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate #; 1-Methyl-6-amino-8a-methoxy-8-[(carbamoyloxy)methyl]-5-methyl-1,1a,2,8,8a,8b-hexahydroazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione; 6-Amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-1,5-dimethylazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dionecarbamate (ester); Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-1,5-dimethyl-, carbamate; Azirino[2',3':3,4]pyrrolo[1,2-a]-indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-1,5-dimethyl-, (1aS,8S,8aR,8bS)-; Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-1,5-dimethyl-, [1aS-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-; Azirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a- methoxy-1,5-dimethyl-, carbamate (ester); Azirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b- hexahydro-8a-methoxy-1,5-dimethyl-,[1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56410	.	.	.	.	348.35	C16H20N4O5	128	787	-0.4	25	2	8	4	"InChI=1S/C16H20N4O5/c1-6-10(17)13(22)9-7(5-25-15(18)23)16(24-3)14-8(19(14)2)4-20(16)11(9)12(6)21/h7-8,14H,4-5,17H2,1-3H3,(H2,18,23)"	CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4C)N	HRHKSTOGXBBQCB-UHFFFAOYSA-N
DG51406	9-isobutyl-6-(((2-methyl-1-naphthyl)methyl)thio)-9H-purin-2-amine	244996	NSC56452; NSC-56452; MLS002702863; CHEMBL1358137; SCHEMBL13669607; NCI56452; ZINC1687414; CCG-36987; NCGC00013684; NCGC00013684-02; NCGC00096795-01; NCI60_004379; SMR001566683; 9-isobutyl-6-(((2-methyl-1-naphthyl)methyl)thio)-9H-purin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56452	.	.	.	.	377.5	C21H23N5S	94.9	489	4.9	27	1	5	5	"InChI=1S/C21H23N5S/c1-13(2)10-26-12-23-18-19(26)24-21(22)25-20(18)27-11-17-14(3)8-9-15-6-4-5-7-16(15)17/h4-9,12-13H,10-11H2,1-3H3,(H2,22,24,25)"	CC1=C(C2=CC=CC=C2C=C1)CSC3=NC(=NC4=C3N=CN4CC(C)C)N	KUIRJFQCMORRRL-UHFFFAOYSA-N
DG51407	"N,N-Diethyl-N'-(7-methoxy-4-quinolinyl)-1,4-pentanediamine"	245068	"NSC56612; NCIOpen2_007652; CHEMBL144308; NSC-56612; 7597-09-3; Diethyl{4-[(7-methoxy(4-quinolyl))amino]pentyl}amine; N,N-Diethyl-N'-(7-methoxy-4-quinolinyl)-1,4-pentanediamine; N1,N1-diethyl-N4-(7-methoxy-4-quinolyl)pentane-1,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56612	.	.	.	.	315.5	C19H29N3O	37.4	322	4	23	1	4	9	"InChI=1S/C19H29N3O/c1-5-22(6-2)13-7-8-15(3)21-18-11-12-20-19-14-16(23-4)9-10-17(18)19/h9-12,14-15H,5-8,13H2,1-4H3,(H,20,21)"	CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)OC	UPZNYIXLPMJBBS-UHFFFAOYSA-N
DG51408	7-Chloro-n-[4-(piperidin-1-yl)cyclohexyl]quinolin-4-amine	245078	NSC56624; NSC-56624; 6632-99-1; 7-chloro-n-[4-(piperidin-1-yl)cyclohexyl]quinolin-4-amine; NCIStruc1_001265; NCIStruc2_001571; CHEMBL1336782; CHEMBL1994063; DTXSID80984915; NCI56624; ZINC1687514; CCG-36526; NCGC00013685; NCGC00013685-02; NCGC00096796-01; NCI60_004383; 7-chloro-N-(4-(1-piperidinyl)cyclohexyl)-4-quinolinamine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56624	.	.	.	.	343.9	C20H26ClN3	28.2	390	5.1	24	1	3	3	"InChI=1S/C20H26ClN3/c21-15-4-9-18-19(10-11-22-20(18)14-15)23-16-5-7-17(8-6-16)24-12-2-1-3-13-24/h4,9-11,14,16-17H,1-3,5-8,12-13H2,(H,22,23)"	C1CCN(CC1)C2CCC(CC2)NC3=C4C=CC(=CC4=NC=C3)Cl	SVJCZPVZDHLIEP-UHFFFAOYSA-N
DG51409	"2,5-Diphenyl-1,4-dithiin"	245172	"2,5-Diphenyl-1,4-dithiin; 4159-03-9; 2,5-Diphenyl-1,4-dithiine; NSC56805; 2,4-dithiin; p-Dithiin,5-diphenyl-; 1, 2,5-diphenyl-; p-Dithiin, 2,5-diphenyl-; CHEMBL2007539; SCHEMBL11342437; 1,4-Dithiin, 2,5-diphenyl-; ZINC47801; 2,5-Diphenyl-1,4-dithiine #; DTXSID20961826; NSC-56805; CCG-109079; NCI60_004389; EU-0008373; SR-01000464062; SR-01000464062-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56805	.	.	.	.	268.4	C16H12S2	50.6	297	4.6	18	0	2	2	InChI=1S/C16H12S2/c1-3-7-13(8-4-1)15-11-18-16(12-17-15)14-9-5-2-6-10-14/h1-12H	C1=CC=C(C=C1)C2=CSC(=CS2)C3=CC=CC=C3	HHRGXOGBUBSFLD-UHFFFAOYSA-N
DG51410	"2,4,6-Trimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine"	245197	"NSC-56902; 1566-30-9; NSC56902; 2,4,6-Trimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine; CHEMBL460364; DTXSID30288612; ZINC1687719; NCI60_004393; 1,2,4-Triazin-5(2H)-one, 3,4-dihydro-2,4,6-trimethyl-3-thioxo-; 2,4,6-Trimethyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56902	.	.	.	.	171.22	C6H9N3OS	68	248	0	11	0	3	0	InChI=1S/C6H9N3OS/c1-4-5(10)8(2)6(11)9(3)7-4/h1-3H3	CC1=NN(C(=S)N(C1=O)C)C	GVELGZSFVZANIL-UHFFFAOYSA-N
DG51411	"5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline"	245680	"7508-49-8; 5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline; NSC57864; NCIOpen2_007515; SCHEMBL2904234; CHEMBL2088173; NIOSH/XU5145000; DTXSID90288850; ZINC4726939; NSC-57864; DS-008947; XU51450000; N-(5-Chloro-2,4-dinitrophenyl)-p-toluidine; p-Toluidine, N-(5-chloro-2,4-dinitrophenyl)-; 5-chloro-N-(4-methylphenyl)-2,4-dinitro-aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	57864	.	.	.	.	307.69	C13H10ClN3O4	104	390	4.7	21	1	5	2	"InChI=1S/C13H10ClN3O4/c1-8-2-4-9(5-3-8)15-11-6-10(14)12(16(18)19)7-13(11)17(20)21/h2-7,15H,1H3"	CC1=CC=C(C=C1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Cl	DLFBAMLAMJKMDK-UHFFFAOYSA-N
DG51412	n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methylaniline	245731	MLS002667931; NSC57958; n-{[(4-chlorophenyl)sulfanyl]methyl}-4-methylaniline; NCIOpen2_002372; CHEMBL1728230; DTXSID40984895; HMS3079L06; ZINC1688795; NSC-57958; SMR001557688	.	.	Investigative Drug(s)	Investigative	Small molecular drug	57958	.	.	.	.	263.8	C14H14ClNS	37.3	208	5.2	17	1	2	4	"InChI=1S/C14H14ClNS/c1-11-2-6-13(7-3-11)16-10-17-14-8-4-12(15)5-9-14/h2-9,16H,10H2,1H3"	CC1=CC=C(C=C1)NCSC2=CC=C(C=C2)Cl	WVXCLKIMORBOGJ-UHFFFAOYSA-N
DG51413	7-(Piperidin-1-ylmethyl)quinolin-8-ol	245742	"7-(Piperidin-1-ylmethyl)quinolin-8-ol; 6632-09-3; NSC-57969; NSC57969; 7-(1-Piperidinylmethyl)-8-quinolinol; MLS002667936; 7-Piperidin-1-ylmethyl-quinolin-8-ol; 8-Quinolinol,7-(1-piperidinylmethyl)-; Oprea1_656479; Oprea1_793054; CHEMBL593211; SCHEMBL1787096; DTXSID20288883; HMS1783H19; HMS3087C04; DNDI1416985; 8-hydroxy-7-piperidinomethylquinoline; NSC 57969; STL487724; ZINC19791718; AKOS000267122; MCULE-4379495365; 7-(Piperidinomethyl)-8-hydroxyquinoline; SMR001557692; DS-009293; NSC57969, >=98% (HPLC); SR-01000509844; SR-01000509844-1; F0903-8069"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	57969	.	.	.	.	242.32	C15H18N2O	36.4	265	2.5	18	1	3	2	"InChI=1S/C15H18N2O/c18-15-13(11-17-9-2-1-3-10-17)7-6-12-5-4-8-16-14(12)15/h4-8,18H,1-3,9-11H2"	C1CCN(CC1)CC2=C(C3=C(C=CC=N3)C=C2)O	WXMFPLZGDXLEMN-UHFFFAOYSA-N
DG51414	"2-{[4-(Dimethylamino)phenyl](hydroxy)methyl}naphthalene-1,4-dione"	245772	"6629-19-2; 2-{[4-(dimethylamino)phenyl](hydroxy)methyl}naphthalene-1,4-dione; NSC58011; NCIOpen2_007466; DTXSID40288901; NSC-58011; DS-012705; 2-[(4-dimethylaminophenyl)-hydroxy-methyl]naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58011	.	.	.	.	307.3	C19H17NO3	57.6	503	2.9	23	1	4	3	"InChI=1S/C19H17NO3/c1-20(2)13-9-7-12(8-10-13)18(22)16-11-17(21)14-5-3-4-6-15(14)19(16)23/h3-11,18,22H,1-2H3"	CN(C)C1=CC=C(C=C1)C(C2=CC(=O)C3=CC=CC=C3C2=O)O	SOHBBNNFCYTYIL-UHFFFAOYSA-N
DG51415	2-Undecylimidazoline	245858	"2-Undecylimidazoline; 2-Undecyl-4,5-dihydro-1H-imidazole; 10443-61-5; 29249-55-6; 1H-Imidazole, 4,5-dihydro-2-undecyl-; 2-undecyl imidazoline; 2-Imidazoline, 2-undecyl-; 4,5-dihydro-2-undecyl-1H-Imidazole; 2-undecyl-2-imidazoline; NSC58180; SCHEMBL107099; 4,5-Dihydro-2-undecylimidazole; CHEMBL1994722; DTXSID00908971; STR10057; ZINC1688935; MFCD00070626; NSC-58180; STK366004; AKOS005442518; MCULE-7236429521; 2-Undecyl-4,5-dihydro-1H-imidazole #; DA-15994; NCI60_004415; FT-0721620; FT-0759657; H0382; D90854; Q63392863"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58180	.	.	.	.	224.39	C14H28N2	24.4	187	4.4	16	1	1	10	"InChI=1S/C14H28N2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14/h2-13H2,1H3,(H,15,16)"	CCCCCCCCCCCC1=NCCN1	FQHUDZKKDCTQET-UHFFFAOYSA-N
DG51416	Antimycin A3	245869	"Blastomycin; Antimycin A3; Blastmycin; Antimycin A3b; 522-70-3; Purothionin AII; UNII-97YBD5W80B; NSC58239; 97YBD5W80B; CHEMBL436605; A 80021F34; A3; (2R-(2R*,3S*,6S*,7R*,8R*))-8-Butyl-3-(3-formamidosalicylamido)-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl isovalerate; [(2R,3S,6S,7R,8R)-3-[(3-Formamido-2-hydroxybenzoyl)amino]-8-heptyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] (2R)-2-methylbutanoate; 116095-17-1; A1-Purothionin; SCHEMBL158729; DTXSID7037189; CHEBI:175924; ZINC4212164; BDBM50107132; NSC-58239; [(2R,3S,6S,7R,8R)-8-butyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate; NCI60_004417; Q27272047; UNII-7JMI3P2Y5R component PVEVXUMVNWSNIG-PDPGNHKXSA-N; UNII-8S75R39Y6J component PVEVXUMVNWSNIG-PDPGNHKXSA-N; WLN: T9OV EOVTJ CMVR CQ DMVH& D1 G4 HOVX1&1&1 I1; Threonine, 2-(1,2-dihydroxypropyl)hexanoate, 7-lactone, isovalerate; (2R,3S,6S,7R,8R)-8-butyl-3-(3-formamido-2-hydroxybenzamido)-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate; (2R,3S,6S,7R,8R)-8-butyl-3-[(3-formamido-2-hydroxybenzene)amido]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate; [(2R,3S,6S,7R,8R)-8-butyl-3-[(3-formamido-2-hydroxy-benzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate; [(2R,3S,6S,7R,8R)-8-butyl-3-[(3-ormamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate; 3-Methyl-butyric acid (2R,3S,6S,7R,8R)-8-butyl-3-(3-formylamino-2-hydroxy-benzoylamino)-2,6-dimethyl-4,9-dioxo-[1,5]dioxonan-7-yl ester; 3-Methyl-butyric acid (2R,3S,6S,7R,8R)-8-butyl-3-{[1-(3-formylamino-2-hydroxy-phenyl)-methanoyl]-amino}-2,6-dimethyl-4,9-dioxo-[1,5]dioxonan-7-yl ester; 3-Methyl-butyric acid 8-butyl-3-(3-formylamino-2-hydroxy-benzoylamino)-2,6-dimethyl-4,9-dioxo-[1,5]dioxonan-7-yl ester; Butanoic acid, 3-methyl-, 8-butyl-3-((3-(formylamino)-2-hydroxybenzoyl)amino)-2,6-dimethyl-9-oxo-1,5-dioxonan-7-yl ester, (2R-(2R*,3S*,6S*,7R*,8R*))-; Isovaleric acid,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-formamidosalicylamide, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58239	.	.	.	.	520.6	C26H36N2O9	157	818	4.2	37	3	9	10	"InChI=1S/C26H36N2O9/c1-6-7-9-18-23(37-20(30)12-14(2)3)16(5)36-26(34)21(15(4)35-25(18)33)28-24(32)17-10-8-11-19(22(17)31)27-13-29/h8,10-11,13-16,18,21,23,31H,6-7,9,12H2,1-5H3,(H,27,29)(H,28,32)/t15-,16+,18-,21+,23+/m1/s1"	CCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C	PVEVXUMVNWSNIG-PDPGNHKXSA-N
DG51417	"11-(4-morpholinyl)-11H-indeno[1,2-b]quinoline"	245879	"NSC58255; MLS002667966; 6626-63-7; 11-(4-morpholinyl)-11H-indeno[1,2-b]quinoline; NSC-58255; CHEMBL1715806; DTXSID60288948; HMS3088J06; NCI60_004418; SMR001557721"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58255	.	.	.	.	302.4	C20H18N2O	25.4	422	3.1	23	0	3	1	"InChI=1S/C20H18N2O/c1-4-8-18-14(5-1)13-17-19(21-18)15-6-2-3-7-16(15)20(17)22-9-11-23-12-10-22/h1-8,13,20H,9-12H2"	C1COCCN1C2C3=CC=CC=C3C4=NC5=CC=CC=C5C=C24	GCVZMKPZSVQVNL-UHFFFAOYSA-N
DG51418	"Salicylamide, 5-chloro-N-(3-hydroxypropyl)-"	245913	"CHEMBL1240762; 5-chloro-2-hydroxy-n-(3-hydroxypropyl)benzamide; NSC58329; Salicylamide, 5-chloro-N-(3-hydroxypropyl)-; DTXSID70984787; ZINC1689026; BDBM50326175; NSC-58329; AKOS008975988; Benzamide, 5-chloro-2-hydroxy-N-(3-hydroxypropyl)-; 5-Chloro-2-hydroxy-N-(3-hydroxypropyl)benzene-1-carboximidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58329	.	.	.	.	229.66	C10H12ClNO3	69.6	213	2.5	15	3	3	4	"InChI=1S/C10H12ClNO3/c11-7-2-3-9(14)8(6-7)10(15)12-4-1-5-13/h2-3,6,13-14H,1,4-5H2,(H,12,15)"	C1=CC(=C(C=C1Cl)C(=O)NCCCO)O	ZLTAZLVRBUEHDS-UHFFFAOYSA-N
DG51419	"2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione"	245920	"6627-15-2; NSC58338; NCIOpen2_007881; SCHEMBL2681378; DTXSID50288972; 2-[[4-(diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione; NSC-58338"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58338	.	.	.	.	335.4	C21H21NO3	57.6	529	3.7	25	1	4	5	"InChI=1S/C21H21NO3/c1-3-22(4-2)15-11-9-14(10-12-15)20(24)18-13-19(23)16-7-5-6-8-17(16)21(18)25/h5-13,20,24H,3-4H2,1-2H3"	CCN(CC)C1=CC=C(C=C1)C(C2=CC(=O)C3=CC=CC=C3C2=O)O	ITMUNRMIPBDJRP-UHFFFAOYSA-N
DG51420	"2,4,5-Trichloro-6-ethylpyrimidine"	246015	"2,4,5-trichloro-6-ethylpyrimidine; 6585-48-4; 2,4,5-trichloro-6-ethyl-pyrimidine; NSC58573; CHEMBL1965178; DTXSID20289017; ZINC1689139; Pyrimidine,4,5-trichloro-6-ethyl-; NSC-58573; AKOS026726656; NCI60_004427; DB-116448"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58573	.	.	.	.	211.5	C6H5Cl3N2	25.8	133	3.6	11	0	2	1	"InChI=1S/C6H5Cl3N2/c1-2-3-4(7)5(8)11-6(9)10-3/h2H2,1H3"	CCC1=C(C(=NC(=N1)Cl)Cl)Cl	PAMHFOVFWWAYCK-UHFFFAOYSA-N
DG51421	"2,4,5-Trichloro-6-propylpyrimidine"	246016	"89793-72-6; 2,4,5-trichloro-6-propyl-pyrimidine; 2,4,5-trichloro-6-propylpyrimidine; NSC58574; CHEMBL2006706; DTXSID80289018; ZINC1689140; NSC-58574; Pyrimidine,4,5-trichloro-6-propyl-; NCI60_004428"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58574	.	.	.	.	225.5	C7H7Cl3N2	25.8	145	3.9	12	0	2	2	"InChI=1S/C7H7Cl3N2/c1-2-3-4-5(8)6(9)12-7(10)11-4/h2-3H2,1H3"	CCCC1=C(C(=NC(=N1)Cl)Cl)Cl	CTWZDJNHFGLAMG-UHFFFAOYSA-N
DG51422	"Pyrimidine, 2,4,5-trichloro-6-(1-methylethyl)-"	246017	"89793-71-5; NSC58575; Pyrimidine, 2,4,5-trichloro-6-(1-methylethyl)-; CHEMBL1993263; DTXSID40289019; NSC-58575; Pyrimidine,4,5-trichloro-6-isopropyl-; NCI60_004429"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58575	.	.	.	.	225.5	C7H7Cl3N2	25.8	154	3.9	12	0	2	1	"InChI=1S/C7H7Cl3N2/c1-3(2)5-4(8)6(9)12-7(10)11-5/h3H,1-2H3"	CC(C)C1=C(C(=NC(=N1)Cl)Cl)Cl	LIMLIYISTWYZKT-UHFFFAOYSA-N
DG51423	2-Bromoethyl 4-chloro-3-nitrobenzoate	246056	NSC58634; NCIOpen2_007967; ZINC1689192; NSC-58634	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58634	.	.	.	.	308.51	C9H7BrClNO4	72.1	271	2.9	16	0	4	4	"InChI=1S/C9H7BrClNO4/c10-3-4-16-9(13)6-1-2-7(11)8(5-6)12(14)15/h1-2,5H,3-4H2"	C1=CC(=C(C=C1C(=O)OCCBr)[N+](=O)[O-])Cl	DXKZSAMZYQDNAX-UHFFFAOYSA-N
DG51424	[(3-Amino-3-benzoyloxyimino-2-benzylpropanoyl)amino] benzoate	246229	NSC58904	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58904	.	.	.	.	431.4	C24H21N3O5	120	663	4.3	32	2	6	10	"InChI=1S/C24H21N3O5/c25-21(26-31-23(29)18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)22(28)27-32-24(30)19-14-8-3-9-15-19/h1-15,20H,16H2,(H2,25,26)(H,27,28)"	C1=CC=C(C=C1)CC(C(=NOC(=O)C2=CC=CC=C2)N)C(=O)NOC(=O)C3=CC=CC=C3	ALIGJLBZICSLLG-UHFFFAOYSA-N
DG51425	"9H-Purine, 6-(benzylthio)-9-(2-chloroethyl)-"	246230	"BC 76; 299-13-8; MLS002693200; 6-(Benzylthio)-9-(2-chloroethyl)-9H-purine; 9H-Purine, 6-(benzylthio)-9-(2-chloroethyl)-; NCIOpen2_007735; CHEMBL1715941; DTXSID00289075; HMS3080H18; NSC58905; ZINC1689445; NSC-58905; SMR001559161; 9H-Purine, 9-(2-chloroethyl)-6-[(phenylmethyl)thio]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58905	.	.	.	.	304.8	C14H13ClN4S	68.9	301	3.3	20	0	4	5	"InChI=1S/C14H13ClN4S/c15-6-7-19-10-18-12-13(19)16-9-17-14(12)20-8-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2"	C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3CCCl	HCWAMVQMVMQQNI-UHFFFAOYSA-N
DG51426	"9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)-"	246231	"BC 77; MLS002693201; 299-12-7; 9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)-; NCIOpen2_007775; CHEMBL1723055; DTXSID60289076; HMS3080H04; NSC58906; ZINC1689446; NSC-58906; SMR001559162; 6-((2-Chlorobenzyl)thio)-9-(2-chloroethyl)-9H-purine; 9H-Purine, 6-[(o-chlorobenzyl)thio]-9-(2-chloroethyl)-; 9H-Purine, 9-(2-chloroethyl)-6-[[(2-chlorophenyl)methyl]thio]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58906	.	.	.	.	339.2	C14H12Cl2N4S	68.9	336	3.5	21	0	4	5	"InChI=1S/C14H12Cl2N4S/c15-5-6-20-9-19-12-13(20)17-8-18-14(12)21-7-10-3-1-2-4-11(10)16/h1-4,8-9H,5-7H2"	C1=CC=C(C(=C1)CSC2=NC=NC3=C2N=CN3CCCl)Cl	JIVHOWFJTJBYTK-UHFFFAOYSA-N
DG51427	NSC58924	246248	"2-N,2-N',4-N,4-N',6-N,6-N',8-N,8-N'-octabutyl-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,4,6,6,8,8-octamine; 3960-18-7; NSC58924; DTXSID50960201; NSC-58924; ZINC150482905; 1,5,7,2,4,6,8-Tetraazatetraphosphocine, 2,2,4,4,6,6,8,8-octahydro-2,2,4,4,6,6,8,8-octakis(butylamino)-; N,N',N'',N''',N'''',N''''',N'''''',N'''''''-Octabutyl-2H,2H,4H,4H,6H,6H,8H,8H-1,3,5,7,2,4,6,8-tetraazatetraphosphocine-2,2,4,4,6,6,8,8-octaamine; N~2~,N~4~,N~6~,N~8~,N'~2~,N'~4~,N'~6~,N'~8~-Octabutyl-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetrazatetraphosphocine-2,2,4,4,6,6,8,8-octamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58924	.	.	.	.	757	C32H80N12P4	146	768	8.9	48	8	12	32	"InChI=1S/C32H80N12P4/c1-9-17-25-33-45(34-26-18-10-2)41-46(35-27-19-11-3,36-28-20-12-4)43-48(39-31-23-15-7,40-32-24-16-8)44-47(42-45,37-29-21-13-5)38-30-22-14-6/h33-40H,9-32H2,1-8H3"	CCCCNP1(=NP(=NP(=NP(=N1)(NCCCC)NCCCC)(NCCCC)NCCCC)(NCCCC)NCCCC)NCCCC	VUXWEFDMCHUGCK-UHFFFAOYSA-N
DG51428	Santalin	246331	"SANTALIN; NSC59267; 5,7-Dihydroxy-6-methoxy-1,2,3,4-tetrahydroanthracene-9,10-dione; UNII-T5O6XK6L55; T5O6XK6L55; 7400-10-4; CHEMBL1995638; DTXSID30224792; ZINC1689534; NSC 59267; NSC-59267; NCI60_004443"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	59267	.	.	.	.	274.27	C15H14O5	83.8	481	2.7	20	2	5	1	"InChI=1S/C15H14O5/c1-20-15-10(16)6-9-11(14(15)19)13(18)8-5-3-2-4-7(8)12(9)17/h6,16,19H,2-5H2,1H3"	COC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)CCCC3)O	KZHZAOMCJXXGII-UHFFFAOYSA-N
DG51429	NSC59620	246496	"[(2S,4aS,4bS,6aS,6bS,10aR,11aS,11bR,13aS)-4a,6a,9-trimethyl-6,7-dioxo-2,3,4,4b,5,6b,10,10a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl] acetate; NSC59620; MLS000737351; NSC-59620; CHEMBL1980094; ZINC4742491; NCI60_004453; (4a,9-trimethyl-6,7-dioxo-2,3,4,4b,5,6b,10,10a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate; 16.beta.,2'-Cyclohex-4'-eno)-5.alpha.-androstane-3',12-dione, 3.beta.-hydroxy-5'-methyl-, acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	59620	.	.	.	.	412.6	C26H36O4	60.4	827	4.2	30	0	4	2	"InChI=1S/C26H36O4/c1-14-9-16-11-21-19-6-5-17-12-18(30-15(2)27)7-8-25(17,3)20(19)13-23(29)26(21,4)24(16)22(28)10-14/h10,16-21,24H,5-9,11-13H2,1-4H3/t16-,17-,18-,19+,20-,21-,24+,25-,26+/m0/s1"	CC1=CC(=O)[C@H]2[C@@H](C1)C[C@@H]3[C@@]2(C(=O)C[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C	XQNWOIOMJJWHCN-COSCTRPYSA-N
DG51430	(2-Methoxyphenyl)-naphthalen-2-ylmethanone	246624	NSC59937; CHEMBL1967248; SCHEMBL18288035; ZINC1689895; NSC-59937; AKOS012008355	.	.	Investigative Drug(s)	Investigative	Small molecular drug	59937	.	.	.	.	262.3	C18H14O2	26.3	338	4.2	20	0	2	3	"InChI=1S/C18H14O2/c1-20-17-9-5-4-8-16(17)18(19)15-11-10-13-6-2-3-7-14(13)12-15/h2-12H,1H3"	COC1=CC=CC=C1C(=O)C2=CC3=CC=CC=C3C=C2	DPIATUPMTSNEKU-UHFFFAOYSA-N
DG51431	"4-(Chloroacetyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one"	246657	"6630-73-5; 4-(chloroacetyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one; 4-(2-chloroacetyl)-1,5-dimethyl-2-phenylpyrazol-3-one; 4-(2-chloroacetyl)-1,5-dimethyl-2-phenyl-pyrazol-3-one; 4-(2-chloroacetyl)-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one; NSC59994; SCHEMBL3874217; 4-(alpha-Chloroacetyl)antipyrine; DTXSID20289254; ZINC1689937; NSC-59994; AKOS024332174; 4-(2-CHLOROACETYL)-ANTIPYRINE; MCULE-9539779957; FT-0724611; 4-(2-chloroacetyl)-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one; 4-(2-Chloroacetyl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	59994	.	.	.	.	264.71	C13H13ClN2O2	40.6	400	1.1	18	0	3	3	"InChI=1S/C13H13ClN2O2/c1-9-12(11(17)8-14)13(18)16(15(9)2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3"	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CCl	QGWUTAPXLRKROO-UHFFFAOYSA-N
DG51432	"4-((1H-naphtho[2,3-d]imidazol-2-ylmethyl)amino)benzoic acid"	246676	"NSC60043; MLS002702866; 6630-29-1; NSC-60043; NCIStruc1_001239; NCIStruc2_001499; CHEMBL1453601; DTXSID80984859; NCI60043; ZINC1689962; CCG-36531; NCGC00013715; NCGC00013715-02; NCGC00096826-01; NCI60_004496; SMR001566686; 4-((1H-naphtho[2,3-d]imidazol-2-ylmethyl)amino)benzoic acid; 4-{[(1H-Naphtho[2,3-d]imidazol-2-yl)methyl]amino}benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	60043	.	.	.	.	317.3	C19H15N3O2	78	450	3.4	24	3	4	4	"InChI=1S/C19H15N3O2/c23-19(24)12-5-7-15(8-6-12)20-11-18-21-16-9-13-3-1-2-4-14(13)10-17(16)22-18/h1-10,20H,11H2,(H,21,22)(H,23,24)"	C1=CC=C2C=C3C(=CC2=C1)NC(=N3)CNC4=CC=C(C=C4)C(=O)O	KMWYWXCIJWCOFD-UHFFFAOYSA-N
DG51433	Diethyl [(2-bromophenyl)methylidene]propanedioate	246693	"93098-67-0; NSC60064; SCHEMBL8432135; CHEMBL1999145; DTXSID80289275; ZINC1689979; NSC-60064; Diethyl 2-(2-bromobenzylidene)malonate; ethyl alpha-ethoxycarbonyl-o-bromo-cinnamate; (2-Bromobenzylidene)malonic acid diethyl ester; Diethyl [(2-bromophenyl)methylidene]propanedioate; diethyl 2-(2-bromophenyl)methylenepropan-1,3-dioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	60064	.	.	.	.	327.17	C14H15BrO4	52.6	331	3.2	19	0	4	7	"InChI=1S/C14H15BrO4/c1-3-18-13(16)11(14(17)19-4-2)9-10-7-5-6-8-12(10)15/h5-9H,3-4H2,1-2H3"	CCOC(=O)C(=CC1=CC=CC=C1Br)C(=O)OCC	ZZDNKHNYMZVZGJ-UHFFFAOYSA-N
DG51434	"p-Toluidine, N-allyl-"	246779	"p-Toluidine, N-allyl-; 15258-46-5; 4-methyl-N-(prop-2-enyl)benzenamine; N-Allyl-4-methylaniline; 4-methyl-N-prop-2-enylaniline; NSC60288; SCHEMBL170694; CHEMBL1989250; DTXSID90934547; ZINC1690123; NSC-60288; AKOS004123548; NCI60_004571; 4-METHYL-N-(PROP-2-EN-1-YL)ANILINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	60288	.	.	.	.	147.22	C10H13N	12	112	2.8	11	1	1	3	"InChI=1S/C10H13N/c1-3-8-11-10-6-4-9(2)5-7-10/h3-7,11H,1,8H2,2H3"	CC1=CC=C(C=C1)NCC=C	XXLHUDMGBJKFMJ-UHFFFAOYSA-N
DG51435	Tylocrebrine	246845	"TYLOCREBRINE; Lylocrebrine; Tylocerebrine; Tylocrebrin; 6879-02-3; (+)-Tylocrebrine; NSC60387; NSC-60387; UNII-3807I5NR9S; 3807I5NR9S; (13aR)-2,3,5,6-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine; (+/-)-Tylocrebrine; Tylocrebine; Dibenzo(f,h)pyrrolo(1,2-b)isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-; BRN 1555044; CHEMBL487200; SCHEMBL8977415; DTXSID901018647; ZINC900098; NCI60_004608; Q27256714; WLN: T D5 B6 K666 DNJ MO1 NO1 RO1 SO1; UNII-OOF3X9JZ8Q component YFEPHJVWLFGWKH-CQSZACIVSA-N; Dibenzo[f,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-; Dibenzo[f,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-, (+)-; Dibenzo[f,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-, (R)-; Dibenzo(f,h)pyrrolo(1,2-b)isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-, (R)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	60387	.	.	.	.	393.5	C24H27NO4	40.2	573	4.7	29	0	5	4	"InChI=1S/C24H27NO4/c1-26-20-8-7-15-19-13-25-9-5-6-14(25)10-16(19)17-11-21(27-2)22(28-3)12-18(17)23(15)24(20)29-4/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3/t14-/m1/s1"	COC1=C(C2=C(C=C1)C3=C(C[C@H]4CCCN4C3)C5=CC(=C(C=C52)OC)OC)OC	YFEPHJVWLFGWKH-CQSZACIVSA-N
DG51436	1-(12h-Benzo[a]phenoxazin-12-yl)-2-chloroethanone	247104	MLS002693321; 6621-65-4; 1-(12h-benzo[a]phenoxazin-12-yl)-2-chloroethanone; NSC60898; NCIOpen2_007717; CHEMBL1723883; DTXSID10289440; HMS3094G23; ZINC1690548; NSC-60898; SMR001559278	.	.	Investigative Drug(s)	Investigative	Small molecular drug	60898	.	.	.	.	309.7	C18H12ClNO2	29.5	429	4.3	22	0	2	1	"InChI=1S/C18H12ClNO2/c19-11-17(21)20-14-7-3-4-8-15(14)22-16-10-9-12-5-1-2-6-13(12)18(16)20/h1-10H,11H2"	C1=CC=C2C(=C1)C=CC3=C2N(C4=CC=CC=C4O3)C(=O)CCl	FNYDMTZOMCTUJV-UHFFFAOYSA-N
DG51437	3-(5-amino-1H-indol-3-yl)propanoic acid	247165	3-(5-amino-1H-indol-3-yl)propanoic acid; NSC61297; 5318-12-7; NSC-61297; NCIStruc1_000464; NCIStruc2_000586; 5-Aminoindol-3-ylpropionsaeure; SCHEMBL1519943; CHEMBL1491245; DTXSID90289468; NCI61297; ZINC1690630; CCG-38177; NCGC00013719; NCGC00013719-02; NCGC00096830-01; NCI60_004876	.	.	Investigative Drug(s)	Investigative	Small molecular drug	61297	.	.	.	.	204.22	C11H12N2O2	79.1	245	1.1	15	3	3	3	"InChI=1S/C11H12N2O2/c12-8-2-3-10-9(5-8)7(6-13-10)1-4-11(14)15/h2-3,5-6,13H,1,4,12H2,(H,14,15)"	C1=CC2=C(C=C1N)C(=CN2)CCC(=O)O	RVKGNYSFSWGPIJ-UHFFFAOYSA-N
DG51438	2-Hydroxyestradiol	247304	"2-Hydroxyestradiol; 2-OH-Estradiol; 362-05-0; 2-hydroxy-estradiol; 2-OH-E2; 2-hydroxy-17beta-estradiol; 2-Hydroxyestradiol-17beta; (17beta)-Estra-1,3,5(10)-triene-2,3,17-triol; UNII-AYU2L67YUU; Estra-1,3,5(10)-triene-2,3,17beta-triol; CHEBI:28744; NSC 61711; AYU2L67YUU; 2-Hydroxy-17; A-estradiol; MLS000069506; CHEMBL467987; ESTRA-1,3,5(10)-TRIENE-2,3,17-beta-TRIOL; SMR000058615; 1,3,5(10)-estratriene-2,3,17Beta-triol; 2,3,17beta-Trihydroxy-1,3,5(10)-Estratriene; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3,17-triol; (8R,9S,13S,14S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-2,3,17-triol; ECS; CCRIS 8709; BRN 2219367; 2bw7; Opera_ID_1837; 17beta-2-Hydroxyestradiol; Epitope ID:159258; 4-06-00-07547 (Beilstein Handbook Reference); BIDD:ER0098; SCHEMBL225052; cid_247304; SGCUT00102; DTXSID3022372; HMS2230J22; HMS3648A04; NSC61711; to_000058; ZINC3815419; 1354AH; BDBM50262140; LMST02010027; MFCD00010490; NSC-61711; 2-Hydroxyestradiol, >=95% (HPLC); 2-Hydroxyestradiol, analytical standard; DB07706; NCGC00247034-01; HY-124489; CS-0086658; Estra-1,3,5(10)-triene-2,3,17-triol; 1,3,5(10)-Estratriene-2,3-17beta-triol; Estra-1,3,5(10)-triene-2,3,17b-triol; 2,3,17b-Trihydroxyestra-1,3,5(10)-triene; C05301; Estra-1,3,5(10)-triene-2,3,17-triol #; Estra-1,5(10)-triene-2,3,17.beta.-triol; Estra-1,3,5(10)-triene-2,3,17.beta.-triol; SR-01000946341; Estra-1,3,5 (10)-triene-2,3,17.beta.-triol; SR-01000946341-1; (17b)-Estra-1,3, 5(10)-triene-2,3,17-triol; Q27096924; Estra-1,3,5(10)-triene-2,3,17-triol, (17beta)-; Estra-1,5(10)-triene-2,3,17-triol, (17.beta.)-; (17beta)- Estra-1,3, 5 (10)-triene-2,3,17-triol; 2-Hydroxy-17-beta-estradiol 100 microg/mL in Acetonitrile; Estra-1,3,5(10)-triene-2,3,17-triol, (17.beta.)-; estra-1,3,5(10)-triene-2,3,17-triol (ACD/Name 4.0); (9beta,13alpha,14beta,17alpha)-estra-1,3,5(10)-triene-2,3,17-triol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	61711	.	.	.	.	288.4	C18H24O3	60.7	411	3.7	21	3	3	0	"InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)O)O	DILDHNKDVHLEQB-XSSYPUMDSA-N
DG51439	"2,3-Dichloro-4,6-di(propan-2-yl)phenol;3,6-dichloro-2,4-di(propan-2-yl)phenol"	247339	NSC61772; CHEMBL1997181; NSC-61772	.	.	Investigative Drug(s)	Investigative	Small molecular drug	61772	.	.	.	.	494.3	C24H32Cl4O2	40.5	412	.	30	2	2	4	"InChI=1S/2C12H16Cl2O/c1-6(2)8-5-9(13)12(15)10(7(3)4)11(8)14;1-6(2)8-5-9(7(3)4)12(15)11(14)10(8)13/h2*5-7,15H,1-4H3"	CC(C)C1=CC(=C(C(=C1O)Cl)Cl)C(C)C.CC(C)C1=CC(=C(C(=C1Cl)C(C)C)O)Cl	YWOKSYZIFZFOBT-UHFFFAOYSA-N
DG51440	"1,2-Bis(4-hydroxyphenoxy)ethane"	247525	"1,2-bis(4-hydroxyphenoxy)ethane; 4-[2-(4-hydroxyphenoxy)ethoxy]phenol; 24209-90-3; NSC62372; NCIOpen2_002563; SCHEMBL226548; 4,4'-(Ethylenebisoxy)bisphenol; DTXSID50289606; ZINC1691104; NSC-62372"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	62372	.	.	.	.	246.26	C14H14O4	58.9	194	3.1	18	2	4	5	"InChI=1S/C14H14O4/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-8,15-16H,9-10H2"	C1=CC(=CC=C1O)OCCOC2=CC=C(C=C2)O	CLMNUWIUDGZFCN-UHFFFAOYSA-N
DG51441	"((imino(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)thio)acetic acid"	247616	"NSC62586; NSC-62586; NCIStruc1_001063; NCIStruc2_001562; CHEMBL1488304; SCHEMBL13957719; NCI62586; ZINC3954080; CCG-36831; NCGC00013730; NCGC00013730-02; NCGC00096841-01; NCI60_008145; ((imino(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)thio)acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	62586	.	.	.	.	311.32	C11H13N5O4S	145	513	0	21	2	7	4	"InChI=1S/C11H13N5O4S/c1-14-6-8(15(2)11(20)16(3)10(6)19)13-9(14)7(12)21-4-5(17)18/h12H,4H2,1-3H3,(H,17,18)"	CN1C2=C(N=C1C(=N)SCC(=O)O)N(C(=O)N(C2=O)C)C	YGNWCFFTUCWYGM-UHFFFAOYSA-N
DG51442	THOS Streptonigrin	247673	"THOS Streptonigrin; IPAS; Imidazoquinoline; Isopropylideneazastreptonigrin; Streptonigrin tetrahydrooxime; Isopropylidine azastreptonigrin; Azastreptonigrin, isopropylidene-; NSC-62709; 15964-31-5; Streptonigrin, tetrahydro-, pseudooxime; NSC62709; UNII-0M3IRN9CDJ; 0M3IRN9CDJ; STREPTONIGRIN-AZA, ISOPROPYLIDENE; 2-Pyridinecarboxylic acid, 5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo(4,5-h)quinolin-8-yl)-3-methyl-; Isopropylidineazastreptonigrin; 5-Amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo[4,5-h]quino; 5-Amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo[4,5-h]quinolin-8-yl)-3-methylpyridine-2-carboxylic acid; 5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethylimidazo[4,5-h]quinolin-8-yl)-3-methylpyridine-2-carboxylic acid; NSC 62709; Streptonigrin, pseudooxime; 5-Amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo(4,5-h)quinolin-8-yl)-3-methyl-2-pyridinecarboxylic acid; CHEMBL1992147; DTXSID50936143; ZINC4212044; CCG-36191; Azastreptonigrin, isopropylidene- (7CI); NCI60_008605; Picolinic acid, 5-amino-4-(2,3-dihydro-3,4-dimethoxy-2-hydroxyphenyl)-6-(2,2-dimethyl-4-methoxy-5-oxo-5H-imidazo(4,5-h)quinolin-8-yl)-3-methyl-; Picolinic acid, 5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo(4,5-h)quinolin-8-yl)-3-methyl-; 2-Pyridinecarboxylic acid,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo[4,5-h]quinolin-8-yl)-3-methyl-; 5-amino-4-(2-hydroxy-3,4-dimethoxy-phenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-imidazo[4,5-h]quinolin-8-yl)-3-methyl-pyridine-2-carboxylic acid; 5-Amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo[4,5-H]quinolin-8-yl)-3-methyl-2-pyridinecarboxylic acid #; Picolinic acid, 5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo(4,5-h)quinolin-8-yl)-3-methyl- (8CI); Picolinic acid,3-dihydro-3,4-dimethoxy-2-hydroxyphenyl)-6-(2,2-dimethyl-4-methoxy-5-oxo-5H-imidazo[4,5-h]quinolin-8-yl)-3-methyl-; Picolinic acid,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo[4,5-h]quinolin-8-yl)-; Picolinic acid,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo[4,5-h]quinolin-8-yl)-3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	62709	.	.	.	.	545.5	C28H27N5O7	182	1090	2.1	40	4	12	6	"InChI=1S/C28H27N5O7/c1-11-16(12-8-10-15(38-4)25(39-5)23(12)34)17(29)20(31-18(11)27(36)37)14-9-7-13-19(30-14)21-22(26(40-6)24(13)35)33-28(2,3)32-21/h7-10,34-35H,29H2,1-6H3,(H,36,37)"	CC1=C(C(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=C(C4=NC(N=C34)(C)C)OC)O)N)C5=C(C(=C(C=C5)OC)OC)O	SQQXRXKYTKFFSM-UHFFFAOYSA-N
DG51443	"n4-(4-Iodophenyl)-5-nitrosopyrimidine-2,4,6-triamine"	247696	"49753-48-2; NSC62752; n4-(4-iodophenyl)-5-nitrosopyrimidine-2,4,6-triamine; CHEMBL1989042; 2,4,6-Pyrimidinetriamine, N4-(4-iodophenyl)-5-nitroso-; DTXSID10289687; ZINC4707495; NSC-62752; NCI60_008768; Pyrimidine,4-diamino-6-(p-iodoanilino)-5-nitroso-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	62752	.	.	.	.	356.12	C10H9IN6O	119	286	2	18	3	7	2	"InChI=1S/C10H9IN6O/c11-5-1-3-6(4-2-5)14-9-7(17-18)8(12)15-10(13)16-9/h1-4H,(H5,12,13,14,15,16)"	C1=CC(=CC=C1NC2=NC(=NC(=C2N=O)N)N)I	CRJCMDFURROWOI-UHFFFAOYSA-N
DG51444	"Ergosta-5,7,22-trien-3-ol"	247705	"ergosta-5,7,22-trien-3-ol; NSC62791; Spectrum_000613; SpecPlus_000039; Spectrum2_000201; Spectrum3_000187; Spectrum4_001507; NCIOpen2_008360; KBioGR_002173; KBioSS_001093; DivK1c_006135; SPBio_000181; CHEMBL3185842; KBio1_001079; KBio2_001093; KBio2_003661; KBio2_006229; KBio3_001213; BCP12869; MCULE-3600015331; NCGC00095486-03; NCI60_008975; FT-0670877; D2, Pro-Vitamin;Ergosterol;Pro Vitamin D2;(3beta,9beta,10alpha,22E)-Ergosta-5,7,22-trien-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	62791	.	.	.	.	396.6	C28H44O	20.2	712	7.4	29	1	1	4	"InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3"	CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C	DNVPQKQSNYMLRS-UHFFFAOYSA-N
DG51445	"2,4-Dichloro-3-ethyl-5-methylphenol"	247901	"2,4-dichloro-3-ethyl-5-methylphenol; 1127-60-2; Phenol,2,4-dichloro-3-ethyl-5-methyl-; 3-ethyl-2,4-dichloro-5-methyl-phenol; NSC63357; m-Cresol,6-dichloro-5-ethyl-; CHEMBL1999840; DTXSID90920869; ZINC393690; NSC-63357; AKOS024332244; MCULE-9983242334; DA-27321; NCI60_011195; FT-0729068"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	63357	.	.	.	.	205.08	C9H10Cl2O	20.2	152	4	12	1	1	1	"InChI=1S/C9H10Cl2O/c1-3-6-8(10)5(2)4-7(12)9(6)11/h4,12H,3H2,1-2H3"	CCC1=C(C(=CC(=C1Cl)O)C)Cl	NOEYLPXWMIBMCJ-UHFFFAOYSA-N
DG51446	6alpha-Methyl-9alpha-fluoroprednisolone 21-acetate	247935	"432-33-7; UNII-WGW384PW2A; WGW384PW2A; CHEBI:34519; 9alpha-Fluoro-6alpha-methylprednisolone 21-acetate; 6alpha-Methyl-9alpha-fluoroprednisolone 21-acetate; NSC63549; MLS002693439; 9-Fluoro-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate; NSC 63549; Prednisolone, acetate; CHEMBL1990679; ZINC4744091; NSC-63549; NCI60_011830; Q27116128; Pregna-1,20-dione, 9-fluoro-11.beta.,17,21-trihydroxy-6.alpha.-methyl-, 21-acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	63549	.	.	.	.	434.5	C24H31FO6	101	910	1.9	31	2	7	4	"InChI=1S/C24H31FO6/c1-13-9-18-16-6-8-23(30,20(29)12-31-14(2)26)22(16,4)11-19(28)24(18,25)21(3)7-5-15(27)10-17(13)21/h5,7,10,13,16,18-19,28,30H,6,8-9,11-12H2,1-4H3/t13-,16-,18-,19-,21-,22-,23-,24-/m0/s1"	C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)COC(=O)C)O	KYVZRGYRHWSJFB-OOACPSMNSA-N
DG51447	"1H-Pyrazolo[3, 4-amino-1-(p-chlorobenzyl)-"	247946	"NSC63629; NCIOpen2_002756; CHEMBL1995175; ZINC1691639; NSC-63629; AKOS006185352; NCI60_012070; 1H-Pyrazolo[3, 4-amino-1-(p-chlorobenzyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	63629	.	.	.	.	259.69	C12H10ClN5	69.6	282	1.6	18	1	4	2	"InChI=1S/C12H10ClN5/c13-9-3-1-8(2-4-9)6-18-12-10(5-17-18)11(14)15-7-16-12/h1-5,7H,6H2,(H2,14,15,16)"	C1=CC(=CC=C1CN2C3=NC=NC(=C3C=N2)N)Cl	BHHBIEOLRILLOB-UHFFFAOYSA-N
DG51448	Vengicide	247955	"Vengicide; Antibiotic E 212; Toyocamycin nucleoside; NSC63701; MLS002702992; NSC99843; NSC-63701; B181008; Naritheracin; B 181008; E-212-1; Neuro_000027; CHEMBL102397; SCHEMBL6674952; HMS3872J03; 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile; NSC-99843; CCG-102453; NCI60_012274; NCI60_042246; SMR001566801; FT-0773001; A936319; 4-Amino-7-.beta.-D-ribofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile; 7H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 4-amino-7-.beta.-D-ribofuranosyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	63701	.	.	.	.	291.26	C12H13N5O4	150	443	-1.6	21	4	8	2	"InChI=1S/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)"	C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C#N	XOKJUSAYZUAMGJ-UHFFFAOYSA-N
DG51449	"9H-Purine, 6-amino-9-(3-deoxy-beta-D-ribofuranosyl)-"	248010	"3-Deoxyadenosine; NSC63984; CHEMBL42814; MLS003389401; NSC401022; 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol; 9-(.beta.-D-3'-Deoxyribofuranosyl)adenine; .beta.-D-erythro-Pentofuranoside, adenine-9 3-deoxy-; 9H-Purine, 6-amino-9-(3-deoxy-.beta.-D-ribofuranosyl)-; BRD2581; 9H-Purin-6-amine, 9-(3-deoxy-.beta.-D-erythro-pentofuranosyl)-; BRD-2581; NSC-63984; NSC627047; NSC-401022; 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-ol; 3'-Deoxyadenosine (cordycepin); SCHEMBL20419171; HMS3268J08; HMS3372P05; BCP01713; NSC89220; BDBM50031231; NSC-89220; NSC-627047; SB18953; NCI60_013263; SMR002049054; SY077107; 3 inverted exclamation mark -Deoxyadenosine; DB-050149; BRD-A61362581-001-01-2; BRD-A61362581-001-02-0; 2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3-ol; 3-Deoxyadenosine; 9(3DeoxyDribofuranosyl)adenine;3Deoxyadenosine; 5''-deoxyadenosine2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	63984	.	.	.	.	251.24	C10H13N5O3	119	307	-1.2	18	3	7	2	"InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)"	C1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO	OFEZSBMBBKLLBJ-UHFFFAOYSA-N
DG51450	"Methyl 2,5,6-trichloropyrimidine-4-carboxylate"	248061	"methyl 2,5,6-trichloropyrimidine-4-carboxylate; 89284-85-5; methyl 2,5,6-trichloro-4-pyrimidinecarboxylate; MFCD12025876; 6-methoxycarbonyl-2,4,5-trichloropyrimidine; NSC64342; NCIOpen2_002887; SCHEMBL117827; CHEMBL2003186; AMY4138; DTXSID00289797; ZINC1847082; 4747AC; NSC-64342; AKOS005072014; CD-0064; QC-1828; SB21821; NCI60_014682; SY233092; 6-methoxycarbony-2,4,5-trichloropyrimidine; CS-0045736; FT-0680901; P11334; A861247; J-521894; 2,5,6-trichloro-pyrimidine-4-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	64342	.	.	.	.	241.5	C6H3Cl3N2O2	52.1	204	2.9	13	0	4	2	InChI=1S/C6H3Cl3N2O2/c1-13-5(12)3-2(7)4(8)11-6(9)10-3/h1H3	COC(=O)C1=C(C(=NC(=N1)Cl)Cl)Cl	TVFOOGACHSHHSX-UHFFFAOYSA-N
DG51451	diethyl 2-acetamido-2-[[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]methyl]propanedioate	248139	NSC64703; ZINC4707556; NSC-64703	.	.	Investigative Drug(s)	Investigative	Small molecular drug	64703	.	.	.	.	486.4	C22H29Cl2N3O5	101	627	3.5	32	2	6	14	"InChI=1S/C22H29Cl2N3O5/c1-4-31-20(29)22(26-15(3)28,21(30)32-5-2)13-16-14-25-19-7-6-17(12-18(16)19)27(10-8-23)11-9-24/h6-7,12,14,25H,4-5,8-11,13H2,1-3H3,(H,26,28)"	CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)N(CCCl)CCCl)(C(=O)OCC)NC(=O)C	FKCGBVVBHXXBOD-UHFFFAOYSA-N
DG51452	"(1,4a-Dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine;benzoic acid"	248381	"NSC65238; MLS000736722; NSC-65238; CHEMBL1482184; HMS2852H07; SMR000528302; abieta-8,11,13-trien-18-amine benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	65238	.	.	.	.	407.6	C27H37NO2	63.3	480	.	30	2	3	3	"InChI=1S/C20H31N.C7H6O2/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;8-7(9)6-4-2-1-3-5-6/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3;1-5H,(H,8,9)"	CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C.C1=CC=C(C=C1)C(=O)O	OSVFSXQGUVYMIT-UHFFFAOYSA-N
DG51453	3-((4-Amino-3-methoxy-1-naphthyl)diazenyl)benzenesulfonamide	248466	NSC65537; MLS000736726; NSC-65537; NCIStruc1_001284; NCIStruc2_001340; CHEMBL1361855; CHEMBL1434821; CHEMBL1971242; SCHEMBL23483666; HMS2865P17; NCI65537; CCG-36986; NCGC00013752; ZINC18038389; ZINC100133503; NCGC00013752-02; NCGC00096863-01; NCI60_019200; SMR000528303; 3-((4-amino-3-methoxy-1-naphthyl)diazenyl)benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	65537	.	.	.	.	356.4	C17H16N4O3S	129	577	2.8	25	2	7	4	"InChI=1S/C17H16N4O3S/c1-24-16-10-15(13-7-2-3-8-14(13)17(16)18)21-20-11-5-4-6-12(9-11)25(19,22)23/h2-10H,18H2,1H3,(H2,19,22,23)"	COC1=C(C2=CC=CC=C2C(=C1)N=NC3=CC(=CC=C3)S(=O)(=O)N)N	SWMNSABUWYKPAU-UHFFFAOYSA-N
DG51454	"Fluorene, 9-bromo-2,4,7-trichloro-"	248608	"7012-19-3; Fluorene, 9-bromo-2,4,7-trichloro-; NSC65921; 9-bromo-2,4,7-trichloro-9H-fluorene; 9-BROMO-2,4,7-TRICHLOROFLUORENE; Fluorene,4,7-trichloro-; DTXSID60289970; NSC-65921; AKOS024337367; MCULE-1861309181"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	65921	.	.	.	.	348.4	C13H6BrCl3	0	298	5.8	17	0	0	0	"InChI=1S/C13H6BrCl3/c14-13-9-3-6(15)1-2-8(9)12-10(13)4-7(16)5-11(12)17/h1-5,13H"	C1=CC2=C(C=C1Cl)C(C3=C2C(=CC(=C3)Cl)Cl)Br	QOVQXCVVFBVTQL-UHFFFAOYSA-N
DG51455	"n,n-Bis{[(4-chlorophenyl)sulfanyl]methyl}-4-methylaniline"	248767	"6969-13-7; NSC66211; n,n-bis{[(4-chlorophenyl)sulfanyl]methyl}-4-methylaniline; DTXSID50290035; ZINC1693740; NSC-66211"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66211	.	.	.	.	420.4	C21H19Cl2NS2	53.8	362	8.3	26	0	3	7	"InChI=1S/C21H19Cl2NS2/c1-16-2-8-19(9-3-16)24(14-25-20-10-4-17(22)5-11-20)15-26-21-12-6-18(23)7-13-21/h2-13H,14-15H2,1H3"	CC1=CC=C(C=C1)N(CSC2=CC=C(C=C2)Cl)CSC3=CC=C(C=C3)Cl	FVPONDWGZCSNHX-UHFFFAOYSA-N
DG51456	"2,3-Dibromo-3-(3-nitrophenyl)-1-phenyl-1-propanone"	248781	"2,3-Dibromo-3-(3-nitrophenyl)-1-phenyl-1-propanone; 6968-99-6; NSC66230; 2,3-dibromo-3-(3-nitrophenyl)-1-phenylpropan-1-one; DTXSID60290046; NSC-66230; STK258698; AKOS003241144; MCULE-4348757266; 2,3-Dibromo-3-(3-nitrophenyl)-1-phenyl-1-propanone #; Propan-1-one, 2,3-dibromo-3-(3-nitrophenyl)-1-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66230	.	.	.	.	413.06	C15H11Br2NO3	62.9	380	4.5	21	0	3	4	"InChI=1S/C15H11Br2NO3/c16-13(11-7-4-8-12(9-11)18(20)21)14(17)15(19)10-5-2-1-3-6-10/h1-9,13-14H"	C1=CC=C(C=C1)C(=O)C(C(C2=CC(=CC=C2)[N+](=O)[O-])Br)Br	LOYYEMPWEAHZAH-UHFFFAOYSA-N
DG51457	"3,6-Dibromopyridazine"	248852	"3,6-dibromopyridazine; 17973-86-3; 3,6-Dibromopyridazide; Pyridazine, 3,6-dibromo-; MFCD00233947; 3,6-dibromo-pyridazine; 3,6-Dibromo pyridazine; NSC66366; 3,6- dibromo-pyridazine; NCIOpen2_003119; SCHEMBL610831; 3,6-Dibromopyridazine, 97%; AMOT0288; SYNQUEST 3H32-9-T3; DTXSID70290072; ZINC967267; BCP19349; GEO-00969; NSC-66366; AKOS005259947; CS-W019835; PB10150; PS-4502; QC-9154; AC-25272; BC003653; SY009350; AM20090061; BB 0259526; D5466; FT-0614752; 973D863; A853847; W-200176"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66366	.	.	.	.	237.88	C4H2Br2N2	25.8	68.4	1.9	8	0	2	0	InChI=1S/C4H2Br2N2/c5-3-1-2-4(6)8-7-3/h1-2H	C1=CC(=NN=C1Br)Br	VQAFMTSSCUETHA-UHFFFAOYSA-N
DG51458	"2-Benzylsulfanyl-3-methylnaphthalene-1,4-dione"	248894	"MLS002693576; 2593-59-1; 2-benzylsulfanyl-3-methylnaphthalene-1,4-dione; NSC66457; 2-(benzylsulfanyl)-3-methylnaphthoquinone; SCHEMBL2599207; CHEMBL1732365; DTXSID50290090; HMS3085P18; ZINC344109; NSC-66457; MCULE-5118695053; NCI60_022262; SMR001559524; 2-Methyl-3-(benzylthio)-1,4-naphthoquinone; AE-406/41056674"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66457	.	.	.	.	294.4	C18H14O2S	59.4	460	4	21	0	3	3	"InChI=1S/C18H14O2S/c1-12-16(19)14-9-5-6-10-15(14)17(20)18(12)21-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3"	CC1=C(C(=O)C2=CC=CC=C2C1=O)SCC3=CC=CC=C3	DVPALWYMAIMQJF-UHFFFAOYSA-N
DG51459	"Methyl 2-chloro-3,5-dinitrobenzoate"	248909	"methyl 2-chloro-3,5-dinitrobenzoate; 2213-79-8; MFCD00085475; NSC66543; benzoic acid, 2-chloro-3,5-dinitro-, methyl ester; Benzoic acid,2-chloro-3,5-dinitro-, methyl ester; SCHEMBL6626231; DTXSID30290098; ALBB-023208; ZINC1693946; NSC-66543; STK365717; AKOS003342266; methyl 2-chloro-3,5-dinitro-benzoate; MCULE-6764871462; LS-07264; DS-000864; CS-0206924; 2-chloro-3,5-dinitrobenzoic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66543	.	.	.	.	260.589	C8H5ClN2O6	118	338	2.1	17	0	6	2	"InChI=1S/C8H5ClN2O6/c1-17-8(12)5-2-4(10(13)14)3-6(7(5)9)11(15)16/h2-3H,1H3"	COC(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])Cl	RJQRHZYXGHSNKQ-UHFFFAOYSA-N
DG51460	"4,5,6-Trichloropyrimidine"	249007	"4,5,6-Trichloropyrimidine; 1780-27-4; Pyrimidine, 4,5,6-trichloro-; MFCD08458457; 4,5,6-Trichloro-pyrimidine; NSC66902; 4,5,6 trichloropyrimidine; SCHEMBL83499; CHEMBL1965328; DTXSID20290123; ACT04245; AMY11059; BCP15609; ZINC1694093; BBL101621; NSC 66902; NSC-66902; STL555417; AKOS005259919; AC-2411; CS-W017036; PS-3884; SB57790; NCI60_024048; SY006155; A3953; FT-0648452; T2550; 780T274"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66902	.	.	.	.	183.42	C4HCl3N2	25.8	89.8	2.8	9	0	2	0	InChI=1S/C4HCl3N2/c5-2-3(6)8-1-9-4(2)7/h1H	C1=NC(=C(C(=N1)Cl)Cl)Cl	AUWPHGWEYHEAIG-UHFFFAOYSA-N
DG51461	"2,4,6-Trichloro-5-propylpyrimidine"	249012	"2,4,6-trichloro-5-propylpyrimidine; 58-81-1; NSC66914; 2,4,6-Trichloro-5-n-propylpyrimidine; 2,4,6-trichloro-5-propyl-pyrimidine; NCIMech_000228; NCIOpen2_002910; CHEMBL1975293; DTXSID60290127; ZINC1694097; CCG-35477; MFCD22125197; NSC-66914; Pyrimidine,4,6-trichloro-5-propyl-; NCI60_024068"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66914	.	.	.	.	225.5	C7H7Cl3N2	25.8	133	4.4	12	0	2	2	"InChI=1S/C7H7Cl3N2/c1-2-3-4-5(8)11-7(10)12-6(4)9/h2-3H2,1H3"	CCCC1=C(N=C(N=C1Cl)Cl)Cl	DXTBIYCCTAVSID-UHFFFAOYSA-N
DG51462	"4,5,6-Trichloro-2-phenylpyrimidine"	249015	"4,5,6-trichloro-2-phenylpyrimidine; 1207-84-7; NSC66917; trichlorophenyl pyrimidine; SCHEMBL376122; CHEMBL1994050; DTXSID90290130; NSC-66917; 4,5,6-Trichloro-2-phenyl-pyrimidine; NCI60_024100; DS-014628"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66917	.	.	.	.	259.5	C10H5Cl3N2	25.8	197	4.4	15	0	2	1	InChI=1S/C10H5Cl3N2/c11-7-8(12)14-10(15-9(7)13)6-4-2-1-3-5-6/h1-5H	C1=CC=C(C=C1)C2=NC(=C(C(=N2)Cl)Cl)Cl	UZVRXBTXEACDQE-UHFFFAOYSA-N
DG51463	Diethyldithiocarbamic acid mesyl ester	249018	"NSC66933; NCIOpen2_002950; CHEMBL1983669; ZINC1694102; NSC-66933; Diethyldithiocarbamic acid mesyl ester; NCI60_024172; Carbamic acid, anhydrosulfide with methanesulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66933	.	.	.	.	227.4	C6H13NO2S3	103	238	1.2	12	0	4	4	"InChI=1S/C6H13NO2S3/c1-4-7(5-2)6(10)11-12(3,8)9/h4-5H2,1-3H3"	CCN(CC)C(=S)SS(=O)(=O)C	SFOIKXZFQYFFMG-UHFFFAOYSA-N
DG51464	2-(Diphenylmethylene)hydrazinecarboximidamide	249134	4353-44-0; 2-(Diphenylmethylene)hydrazinecarboximidamide; NSC67118; UNII-43F8Q05RYE; 43F8Q05RYE; NSC 67118; NCIOpen2_002952; (diphenylmethaniminyl)guanidine; SCHEMBL18725142; 1-(benzhydrylideneamino)guanidine; DTXSID10195870; 1-(Diphenylmethyleneamino)guanidine; ZINC1694229; NSC-67118	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67118	.	.	.	.	238.29	C14H14N4	76.8	286	2.4	18	2	2	3	"InChI=1S/C14H14N4/c15-14(16)18-17-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H4,15,16,18)"	C1=CC=C(C=C1)C(=NN=C(N)N)C2=CC=CC=C2	DARIECBAYUCTAK-UHFFFAOYSA-N
DG51465	Vincristine sulfate	249332	"Vincristine sulfate; 2068-78-2; Vincrisul; Kyocristine; Vincristine sulphate; Leurocristine sulfate; Oncovin; Onkovin; Marqibo; 22-oxovincaleukoblastine sulfate; VCR sulfate; NSC 67574; Lilly 37231; NSC67574; Leurocristine sulfate (1:1) (salt); NSC-67574; Alkaloid extracted from Vinca rosea Linn; CHEBI:79401; MLS002702994; Leurocristine, sulfate (1:1) (salt); Novopharm; Vincristini sulfas; Oncovin (Lilly); Vincasar (TN); Marqibo (TN); Oncovin (TN); Vincrex (TN); Vincristine, sulfate; Leurocristine, sulfate; rel-Vincristine  Sulfate; Vincristine sulfate liposome; SCHEMBL3710; Leurocristine sulfate (1:1); CHEMBL501867; DTXSID8044331; LILLY-37231; Vincristine sulfate (JP17/USP); HMS3414L13; HMS3678L11; MFCD08706469; AKOS015895862; LCR; VCR; D02197; 068V782; A936684; 1217704-93-2; methyl (3aR,3a1R,4R,5S,5aR,10bR)-4-acetoxy-3a-ethyl-9-((3S,5S,7S,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methano[1]azacycloundecino[5,4-b]indol-9-yl)-6-formyl-5-hydroxy-8-methoxy-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate sulfate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67574	.	.	.	.	923	C46H58N4O14S	254	1830	.	65	5	16	10	"InChI=1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1"	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O	AQTQHPDCURKLKT-JKDPCDLQSA-N
DG51466	(2-Methyl-1h-indol-3-yl)methanol	249349	"(2-methyl-1h-indol-3-yl)methanol; 6967-71-1; 1H-Indole-3-methanol, 2-methyl-; NSC67603; NCIOpen2_000024; 2-methyl-3-hydroxymethylindole; SCHEMBL3196770; DTXSID10290238; ZINC1694511; NSC-67603; AKOS009334079; AM806323"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67603	.	.	.	.	161.2	C10H11NO	36	160	1.6	12	2	1	1	"InChI=1S/C10H11NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-5,11-12H,6H2,1H3"	CC1=C(C2=CC=CC=C2N1)CO	ASXDLUBNSFVSAU-UHFFFAOYSA-N
DG51467	diethyl 2-acetamido-2-[(6-nitro-1H-indol-3-yl)methyl]propanedioate	249442	MLS002693615; 7355-90-0; NSC67774; NCIOpen2_008536; DTXSID00290282; HMS3085P16; ZINC1694652; NSC-67774; SMR001559562; Diethyl 2-acetamido-2-((6-nitro-1H-indol-3-yl)methyl)malonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67774	.	.	.	.	391.4	C18H21N3O7	143	601	2.1	28	2	7	9	"InChI=1S/C18H21N3O7/c1-4-27-16(23)18(20-11(3)22,17(24)28-5-2)9-12-10-19-15-8-13(21(25)26)6-7-14(12)15/h6-8,10,19H,4-5,9H2,1-3H3,(H,20,22)"	CCOC(=O)C(CC1=CNC2=C1C=CC(=C2)[N+](=O)[O-])(C(=O)OCC)NC(=O)C	OIFCLUUZPMYLIF-UHFFFAOYSA-N
DG51468	"4,5,6-Trichloro-2-ethylpyrimidine"	249454	"1197-30-4; 4,5,6-trichloro-2-ethylpyrimidine; 4,5,6-trichloro-2-ethyl-pyrimidine; Pyrimidine, 4,5,6-trichloro-2-ethyl-; NSC67798; CHEMBL1997065; DTXSID60290288; NSC-67798; NCI60_027870"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67798	.	.	.	.	211.5	C6H5Cl3N2	25.8	121	3.6	11	0	2	1	"InChI=1S/C6H5Cl3N2/c1-2-3-10-5(8)4(7)6(9)11-3/h2H2,1H3"	CCC1=NC(=C(C(=N1)Cl)Cl)Cl	CNDMVKVJWXVNBW-UHFFFAOYSA-N
DG51469	"2,4,6-Trichloro-5-ethylpyrimidine"	249455	"2,4,6-trichloro-5-ethylpyrimidine; 1780-38-7; Pyrimidine, 2,4,6-trichloro-5-ethyl-; 2,4,6-Trichloro-5-ethyl-pyrimidine; NSC67799; SCHEMBL501823; CHEMBL1993963; DTXSID20290289; BAA78038; ZINC1694667; Pyrimidine,4,6-trichloro-5-ethyl-; MFCD11112097; NSC 67799; NSC-67799; SB60777; AS-62584; NCI60_027874; CS-0186492; Y3182; D84282; A812337"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67799	.	.	.	.	211.5	C6H5Cl3N2	25.8	121	3.9	11	0	2	1	"InChI=1S/C6H5Cl3N2/c1-2-3-4(7)10-6(9)11-5(3)8/h2H2,1H3"	CCC1=C(N=C(N=C1Cl)Cl)Cl	KMPDRUUXTSYMJD-UHFFFAOYSA-N
DG51470	3-(1-Methylpyrrolidin-2-yl)pyridin-2-yl dimethylcarbamate	249991	6970-04-3; 3-(1-Methyl-2-pyrrolidinyl)-2-pyridinyl dimethylcarbamate; NSC68967; 3-(1-methylpyrrolidin-2-yl)pyridin-2-yl dimethylcarbamate; DTXSID20910091; NSC-68967	.	.	Investigative Drug(s)	Investigative	Small molecular drug	249991	.	.	.	.	249.31	C13H19N3O2	45.7	296	1.3	18	0	4	3	"InChI=1S/C13H19N3O2/c1-15(2)13(17)18-12-10(6-4-8-14-12)11-7-5-9-16(11)3/h4,6,8,11H,5,7,9H2,1-3H3"	CN1CCCC1C2=C(N=CC=C2)OC(=O)N(C)C	CXBVRHNOFNLISC-UHFFFAOYSA-N
DG51471	Ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(2-formamido-3-phenylpropanoyl)amino]propanoate	250002	13331-67-4; NSC68989; CHEMBL2006696; DTXSID00928073; NSC-68989; NCI60_032326; N-(3-{4-[Bis(2-chloroethyl)amino]phenyl}-1-ethoxy-1-oxopropan-2-yl)-2-[(hydroxymethylidene)amino]-3-phenylpropanimidic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	68989	.	.	.	.	508.4	C25H31Cl2N3O4	87.7	605	4.5	34	2	5	15	"InChI=1S/C25H31Cl2N3O4/c1-2-34-25(33)23(17-20-8-10-21(11-9-20)30(14-12-26)15-13-27)29-24(32)22(28-18-31)16-19-6-4-3-5-7-19/h3-11,18,22-23H,2,12-17H2,1H3,(H,28,31)(H,29,32)"	CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(CC2=CC=CC=C2)NC=O	IGMJUMLGHIBRFY-UHFFFAOYSA-N
DG51472	NSC69294	250204	"(16-Acetyloxy-20-benzyl-10,14-dimethyl-19,21-dioxo-20-azahexacyclo[12.10.0.02,11.05,10.015,23.018,22]tetracosa-4,15-dien-7-yl) acetate; NSC69294; NSC-69294"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69294	.	.	.	.	585.7	C36H43NO6	90	1290	5	43	0	6	6	"InChI=1S/C36H43NO6/c1-20(38)42-24-12-14-35(3)23(16-24)10-11-25-28(35)13-15-36(4)29(25)17-26-31-27(18-30(32(26)36)43-21(2)39)33(40)37(34(31)41)19-22-8-6-5-7-9-22/h5-10,24-29,31H,11-19H2,1-4H3"	CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5C4=C(CC6C5C(=O)N(C6=O)CC7=CC=CC=C7)OC(=O)C)C)C	LSSPIOYZZCPTLA-UHFFFAOYSA-N
DG51473	"3,12-Dibenzyl-7,8,15,16-tetrathia-3,12-diazadispiro[5.2.5^{9}.2^{6}]hexadecane"	250319	"NSC69573; NSC-69573; 3,12-Dibenzyl-7,8,15,16-tetrathia-3,12-diazadispiro[5.2.5.2]hexadecane; NCIStruc1_001320; NCIStruc2_001582; CHEMBL1480554; NCI69573; ZINC1695760; CCG-37276; NCGC00013780; 3,12-dibenzyl-7,8,15,16-tetrathia-3,12-diazadispiro[5.2.5^{9}.2^{6}]hexadecane; NCGC00013780-02; NCGC00096890-01; NCI60_034242"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69573	.	.	.	.	474.8	C24H30N2S4	108	471	5.4	30	0	6	4	"InChI=1S/C24H30N2S4/c1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)27-29-24(30-28-23)13-17-26(18-14-24)20-22-9-5-2-6-10-22/h1-10H,11-20H2"	C1CN(CCC12SSC3(CCN(CC3)CC4=CC=CC=C4)SS2)CC5=CC=CC=C5	AUQNOKYVIFHLOF-UHFFFAOYSA-N
DG51474	5-((5-((5-oxo-2(5H)-furanylidene)amino)-1-naphthyl)imino)-2(5H)-furanone	250321	NSC69575; NSC-69575; 6959-95-1; NCIStruc1_001486; NCIStruc2_001446; CHEMBL1415616; CHEMBL1999677; SCHEMBL14286191; NCI69575; CCG-36540; NCGC00013781; ZINC17747876; ZINC17747879; ZINC100133298; NCGC00013781-02; NCGC00096891-01; NCI60_034243; 5-((5-((5-oxo-2(5H)-furanylidene)amino)-1-naphthyl)imino)-2(5H)-furanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69575	.	.	.	.	318.3	C18H10N2O4	77.3	619	2.8	24	0	6	2	InChI=1S/C18H10N2O4/c21-17-9-7-15(23-17)19-13-5-1-3-11-12(13)4-2-6-14(11)20-16-8-10-18(22)24-16/h1-10H	C1=CC2=C(C=CC=C2N=C3C=CC(=O)O3)C(=C1)N=C4C=CC(=O)O4	OOXMVNZKTMFECF-UHFFFAOYSA-N
DG51475	Ethyl n-acetylleucyl-4-[bis(2-chloroethyl)amino]phenylalaninate	250390	"13331-87-8; 4213-38-1; NSC69830; Alanine, ethylester L-; ethyl n-acetylleucyl-4-[bis(2-chloroethyl)amino]phenylalaninate; DTXSID20962297; DTXSID70290592; NSC-69830; NSC240743; NSC-240743; N-(3-{4-[Bis(2-chloroethyl)amino]phenyl}-1-ethoxy-1-oxopropan-2-yl)-2-[(1-hydroxyethylidene)amino]-4-methylpentanimidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69830	.	.	.	.	488.4	C23H35Cl2N3O4	87.7	578	3.3	32	2	5	15	"InChI=1S/C23H35Cl2N3O4/c1-5-32-23(31)21(27-22(30)20(14-16(2)3)26-17(4)29)15-18-6-8-19(9-7-18)28(12-10-24)13-11-25/h6-9,16,20-21H,5,10-15H2,1-4H3,(H,26,29)(H,27,30)"	CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(CC(C)C)NC(=O)C	SWXCQOFAVJKBPJ-UHFFFAOYSA-N
DG51476	CID 250397	250397	"Chebulagic acid; 23094-71-5; NSC342674; Chebu-lagic acid; .beta.-D-Glucopyranose,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl)butanedioic acid, cyclic 3,3-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate) 1-(3,4,5-trihydroxybenzoate); SCHEMBL1877153; CHEMBL1970427; BDBM512895; HY-N1996; NSC69863; NSC-69863; CS-5820; NSC-342674; NCI60_003043; FT-0698058; .beta.-D-Glucopyranose,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl)butanedioic acid, cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'dicarboxylate) 1-(3,4,5-trihydroxybenzoate); 2-[13,14,15,18,19,20,31,35,36-Nonahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.04,25.07,26.011,16.017,22.034,38]octatriaconta-1(37),11,13,15,17,19,21,34(38),35-nonaen-29-yl]acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	342674	.	.	.	.	954.7	C41H30O27	447	1970	0.4	68	13	27	5	"InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)"	C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O	HGJXAVROWQLCTP-UHFFFAOYSA-N
DG51477	"14-(Aminomethyl)-5,9-dimethyl-12-propan-2-yltetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylic acid"	250607	NSC70194; 7143-91-1; NSC-70194; CHEMBL1989933; DTXSID50290656; NCI60_036529	.	.	Investigative Drug(s)	Investigative	Small molecular drug	70194	.	.	.	.	361.6	C23H39NO2	63.3	603	3.5	26	2	3	3	"InChI=1S/C23H39NO2/c1-15(2)22-10-11-23(16(12-22)14-24)9-6-17-20(3,18(23)13-22)7-5-8-21(17,4)19(25)26/h15-18H,5-14,24H2,1-4H3,(H,25,26)"	CC(C)C12CCC3(CCC4C(C3C1)(CCCC4(C)C(=O)O)C)C(C2)CN	CFSIKOAGZWBLPX-UHFFFAOYSA-N
DG51478	"6-Amino-1,3-dibenzyl-2-iminopyrimidin-4-one"	250781	NSC70555; NSC-70555	.	.	Investigative Drug(s)	Investigative	Small molecular drug	70555	.	.	.	.	306.4	C18H18N4O	73.4	475	2	23	2	3	4	"InChI=1S/C18H18N4O/c19-16-11-17(23)22(13-15-9-5-2-6-10-15)18(20)21(16)12-14-7-3-1-4-8-14/h1-11,20H,12-13,19H2"	C1=CC=C(C=C1)CN2C(=CC(=O)N(C2=N)CC3=CC=CC=C3)N	XXTTYBFAMDJSTQ-UHFFFAOYSA-N
DG51479	Antibiotic from Streptomyces nogalater	250876	"nogalamycin; NSC70845; 1404-15-5; methyl (1S,10S,12S,13R,21S,22S,23R,24R)-23-(dimethylamino)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-6,17-dioxo-10-(3,4,5-trimethoxy-4,6-dimethyloxan-2-yl)oxy-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate; Methyl 23-(dimethylamino)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-6,17-dioxo-10-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-4,6-dimethyloxan-2-yl]oxy-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate; Antibiotic 205t3; U 15167; NSC 70845; Antibiotic from Streptomyces nogalater; SCHEMBL1649692; CHEMBL1991217; DTXSID20930779; NCI60_038415; 2,2-b]oxocin-14-carboxylic acid, 11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-.alpha.-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2.alpha.,3.beta.,4.alpha.,5.beta.,6.alpha.,11.beta.,13.alpha.,14.alpha.)-(+)-; 2,2-b]oxocin-14-carboxylic acid, 11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-.alpha.-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,4,5,6,9.11,12,13,14,16-decahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-; 2,6-epoxy-2H-naphthaceno[1,2-b]oxocin-14-carboxylic acid, 11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methylhexopyranosyl)oxy]-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2S,3S,4R,5R,...; Methyl 11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methylhexopyranosyl)oxy]-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]o; methyl dimethylamino-pentahydroxy-dimethyl-dioxo-(3,4,5-trimethoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-[ ]carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	70845	.	.	.	.	787.8	C39H49NO16	229	1530	1.1	56	5	17	8	"InChI=1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14 ,19-,24-,25-,29-,31+,32 ,33 ,35-,36 ,37-,38-,39 /m0/s1"	CC1C(C(C(C(O1)O[C@H]2C[C@]([C@@H](C3=CC4=C(C(=C23)O)C(=O)C5=C(C=C6C(=C5C4=O)O[C@@H]7[C@H]([C@@H]([C@H]([C@]6(O7)C)O)N(C)C)O)O)C(=O)OC)(C)O)OC)(C)OC)OC	KGTDRFCXGRULNK-QNQBSKBHSA-N
DG51480	Methyl 3-(4-nitrophenyl)prop-2-ynoate	251019	"7515-15-3; methyl 3-(4-nitrophenyl)prop-2-ynoate; Methyl 3-(4-Nitrophenyl)propiolate; MFCD00818235; NSC71090; NCIOpen2_004763; Oprea1_660689; SCHEMBL1645625; ZINC9192; CHEMBL1967778; DTXSID70290799; HMS3870D03; AC8447; NSC-71090; AKOS003613098; methyl 3-(4-nitrophenyl)-2-propynoate; NCGC00487312-01; AS-83273; NCI60_039007; SY264821; (4-Nitrophenyl)propiolic acid methyl ester; (4-nitrophenyl)-propynoic acid methyl ester; CS-0346668; FT-0701360; 2-Propynoic acid, 3-(4-nitrophenyl)-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71090	.	.	.	.	205.17	C10H7NO4	72.1	311	2.2	15	0	4	2	"InChI=1S/C10H7NO4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-3,5-6H,1H3"	COC(=O)C#CC1=CC=C(C=C1)[N+](=O)[O-]	XNRRUKAHRUCWGC-UHFFFAOYSA-N
DG51481	"2-(2,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one"	251112	"70460-30-9; NSC71300; UNII-7ZC34TF8SX; 2-(2,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; 7ZC34TF8SX; CHEBI:79467; 4H-1-Benzopyran-4-one, 2-(2,5-dimethoxyphenyl)-5,6,7,8-tetramethoxy-; NSC-71300; 2',5',5,6,7,8-hexamethoxyflavone; NSC 71300; 2-(2,5-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4h-chromen-4-one; NCIMech_000180; CHEMBL311610; DTXSID50220731; ZINC1696755; CCG-35371; NCI60_039415; Q27148539; 2-(2,5-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71300	.	.	.	.	402.4	C21H22O8	81.7	593	3	29	0	8	7	"InChI=1S/C21H22O8/c1-23-11-7-8-14(24-2)12(9-11)15-10-13(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-15/h7-10H,1-6H3"	COC1=CC(=C(C=C1)OC)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC	FJNLODZIVSPGBA-UHFFFAOYSA-N
DG51482	"2-(3,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one"	251114	"2-(3,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one; 70460-29-6; UNII-YB1PP1M8P8; YB1PP1M8P8; CHEBI:79468; NSC71302; NSC-71302; 2-(3,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; NSC 71302; CHEMBL76562; DTXSID90220730; ZINC1696757; 5,6,7,8,3',5'-hexamethoxyflavone; 3',5,5',6,7,8-Hexamethoxyflavone; NCI60_039419; Q27148540; 2-(3,5-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71302	.	.	.	.	402.4	C21H22O8	81.7	581	3	29	0	8	7	"InChI=1S/C21H22O8/c1-23-12-7-11(8-13(9-12)24-2)15-10-14(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-15/h7-10H,1-6H3"	COC1=CC(=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC	ADBLJUDPXDJMMK-UHFFFAOYSA-N
DG51483	"3-(1,3-Benzodioxol-5-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol"	251176	"NSC71426; NSC-71426; CHEMBL1976283; NCI60_039634; 2-((1,3-benzodioxol-5-ylmethylene)amino)-2-deoxyhexopyranose"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71426	.	.	.	.	311.29	C14H17NO7	121	407	-0.9	22	4	8	3	"InChI=1S/C14H17NO7/c16-5-10-12(17)13(18)11(14(19)22-10)15-4-7-1-2-8-9(3-7)21-6-20-8/h1-4,10-14,16-19H,5-6H2"	C1OC2=C(O1)C=C(C=C2)C=NC3C(C(C(OC3O)CO)O)O	UIYDBYNUALKLFL-UHFFFAOYSA-N
DG51484	"7H-Benzo[c]phenothiazine, 7-chloroacetyl-"	251355	"7H-Benzo[c]phenothiazine, 7-chloroacetyl-; MLS002693735; 3640-00-4; NSC71677; CHEMBL1865545; DTXSID80290902; HMS3086G13; ZINC1697164; NSC-71677; SMR001559678"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71677	.	.	.	.	325.8	C18H12ClNOS	45.6	431	4.9	22	0	2	1	"InChI=1S/C18H12ClNOS/c19-11-17(21)20-14-7-3-4-8-16(14)22-18-13-6-2-1-5-12(13)9-10-15(18)20/h1-10H,11H2"	C1=CC=C2C(=C1)C=CC3=C2SC4=CC=CC=C4N3C(=O)CCl	FMZRZAWQHRDTEP-UHFFFAOYSA-N
DG51485	"[2-(Benzoylsulfanylmethyl)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate"	251458	2383-36-0; NSC71850; CHEMBL2004082; DTXSID20946638; NSC-71850; NCI60_040799; 1-(3-O-Benzoyl-5-S-benzoyl-2-deoxy-5-thiopentofuranosyl)-5-fluoro-4-hydroxypyrimidin-2(1H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71850	.	.	.	.	470.5	C23H19FN2O6S	127	809	3.3	33	1	8	8	"InChI=1S/C23H19FN2O6S/c24-16-12-26(23(30)25-20(16)27)19-11-17(32-21(28)14-7-3-1-4-8-14)18(31-19)13-33-22(29)15-9-5-2-6-10-15/h1-10,12,17-19H,11,13H2,(H,25,27,30)"	C1C(C(OC1N2C=C(C(=O)NC2=O)F)CSC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4	AFUDIJVTABHLBY-UHFFFAOYSA-N
DG51486	Raubasine	251561	"Mayumbine; Hydrosarpan; Ranitol; Raubaserp; Raubasil; Raubasin; Raumalina; Vincain; Vincein; Vinceine; Tensyl; Alkaloid F; Alkaloid II; .delta.-Yohimbine; methyl 19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate; Circolene; Lamuran; Rauvasan; Sarpan; MLS000111555; Alkaloid C; Substance II; Tetrahydroserpentine; NSC72115; NSC72133; 6474-90-4; SMR000107477; Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19.alpha.)-; (+)-19-Epiajmalicine; (+)-19-epi-Ajmalicine; 19-epi-Ajmalicine; methyl 16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate; WLN: T F6 D5 C666 EM ON SO TU&&TTTJ R1 UVO1; Isoarteril; NSC 72133; Oxayohimban-16-carboxylic acid,17-didehydro-19-methyl-, methyl ester, (19.alpha.)-; (-)-Ajmalicin; (-)-Tetrahydroalstonine; MLS002540766; SCHEMBL309915; Alstonine,4,5,6-tetrahydro-; cid_251561; 16,17-Didehydro-19-methyloxayohimban-16-carboxylic acid methyl ester; CHEMBL1604074; BDBM30993; HMS1607K01; HMS2271A14; NSC95087; MFCD00368576; NSC-72115; NSC-72133; NSC-95087; STK367072; AKOS000730693; AKOS021983176; ACN-056788; CCG-103005; MCULE-3271406637; NCI60_041492; NCI60_041515; DB-051540; FT-0621941; FT-0775777; Alstonine,4,5,6-tetrahydro-, (3.alpha.)-; VU0002262-1; L001109; SR-01000625463; SR-01000625463-4; Methyl 19-methyl-16,17-didehydrooxayohimban-16-carboxylate; Methyl 19-methyl-16,17-didehydrooxayohimban-16-carboxylate #; 16,17-Didehydro-19.alpha.-methyloxayohimban-16-carboxylic acid methyl ester; 876659-81-3; Oxayohimban-16-carboxylic acid,17-didehydro-19-methyl-, methyl ester, (19.alpha.,20.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72115	.	.	.	.	352.4	C21H24N2O3	54.6	606	2.7	26	1	4	2	"InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3"	CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45	GRTOGORTSDXSFK-UHFFFAOYSA-N
DG51487	2-((2-((Methylsulfonyl)oxy)ethyl)-4-(((2-oxo-2H-chromen-6-yl)imino)methyl)anilino)ethyl methanesulfonate	251586	"14415-46-4; NSC72151; 2-((2-((Methylsulfonyl)oxy)ethyl)-4-(((2-oxo-2H-chromen-6-yl)imino)methyl)anilino)ethyl methanesulfonate; NSC 72151; Coumarin, dimethyl sulfonate; CHEMBL1999633; ZINC1698336; NSC-72151; ZINC100491020; 2H-1-Benzopyran-2-one, 6-[[4-[bis[2-[(methylsulfonyl)ethyl]amino]phenyl]methylene]amino]-; Coumarin, {6-[[p-[bis(hydroxyethyl)amino]benzylidene]amino]-,} dimethyl sulfonate; Coumarin, 6-((p-(bis(hydroxyethyl)amino)benzylidene)amino)-, dimethyl sulfonate; NCI60_041538; 2-[N-(2-methylsulfonyloxyethyl)-4-[(E)-(2-oxochromen-6-yl)iminomethyl]anilino]ethyl methanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72151	.	.	.	.	508.6	C22H24N2O8S2	145	906	2.2	34	0	10	11	"InChI=1S/C22H24N2O8S2/c1-33(26,27)30-13-11-24(12-14-31-34(2,28)29)20-7-3-17(4-8-20)16-23-19-6-9-21-18(15-19)5-10-22(25)32-21/h3-10,15-16H,11-14H2,1-2H3"	CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C=NC2=CC3=C(C=C2)OC(=O)C=C3	IQUYRTCVGLAKOT-UHFFFAOYSA-N
DG51488	"1-(3,4-Dihydroxy-5-methoxyphenyl)-2,4,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydro-2-naphthalenecarboxylic acid"	251620	"NSC72234; NSC-72234; CHEMBL1965410; NCI60_041575; 1-(3,4-dihydroxy-5-methoxyphenyl)-2,4,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydro-2-naphthalenecarboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72234	.	.	.	.	422.4	C20H22O10	177	616	0.3	30	7	10	5	"InChI=1S/C20H22O10/c1-29-14-6-10-9(5-12(14)22)16(8-3-13(23)18(25)15(4-8)30-2)20(28,19(26)27)11(7-21)17(10)24/h3-6,11,16-17,21-25,28H,7H2,1-2H3,(H,26,27)"	COC1=CC(=CC(=C1O)O)C2C3=CC(=C(C=C3C(C(C2(C(=O)O)O)CO)O)OC)O	AEAWUUSSBHHSNE-UHFFFAOYSA-N
DG51489	"2-hydroxy-2-[(13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]indene-1,3-dione"	251630	"NSC72254; SCHEMBL18134600; NCI60_041576; 2-hydroxy-2-((3-oxoestr-4-en-17-yl)oxy)-1H-indene-1,3(2H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72254	.	.	.	.	434.5	C27H30O5	80.7	865	3.7	32	1	5	2	"InChI=1S/C27H30O5/c1-26-13-12-18-17-9-7-16(28)14-15(17)6-8-19(18)22(26)10-11-23(26)32-27(31)24(29)20-4-2-3-5-21(20)25(27)30/h2-5,14,17-19,22-23,31H,6-13H2,1H3"	CC12CCC3C(C1CCC2OC4(C(=O)C5=CC=CC=C5C4=O)O)CCC6=CC(=O)CCC36	PSDYWXVFQWCFEU-UHFFFAOYSA-N
DG51490	Mitopodozide	251643	"MITOPODOZIDE; Proresid; Proreside; Proresipar; 1508-45-8; NSC-72274; SPI-77; SP-I (Pharmaceutical); UNII-6QYI7Y8OBO; Podophyllinsaeure-aethylhydrazid; SPI 77; IND 379; SP-I 77; Podophyllinic acid 2-ethylhydrazide; SP-I; Podophyllic acid, 2-ethyl-hydrazide; 6QYI7Y8OBO; Podophyllic acid 2-ethylhydrazide; Podophyllic acid ethylhydrazide; (5R,6R,7R,8R)-N'-ethyl-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carbohydrazide; 1904-80-9; SP 1; Mitopodozido; Mitopodozidum; Naphtho(2,3-d)-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, 2-ethylhydrazide, (5R-(5alpha,6alpha,7beta,8alpha))- (9CI); Podophyllic acid, 2-ethylhydrazide; Mitopodozide [INN:BAN]; N'-Ethylpodophyllohydrazid; Mitopodozidum [INN-Latin]; Mitopodozido [INN-Spanish]; Mitopodozid; Podophyllinic acid ethylhydrazide; SP I Sandoz; SP-I Sandoz; (5R,6R,7R,8R)-N'-ethyl-8-hydroxy-7-(hydroxymethyl)-5-[3,4,5-tris(methyloxy)phenyl]-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carbohydrazide; EINECS 216-138-1; NSC 72274; SP-I, pharmaceutical; Podophyllinsaeure-aethylhydrazid  [German]; AI3-51435; SP I; SCHEMBL745158; CHEMBL460289; Podophyllic acid, ethylhydrazide; DTXSID9021211; CHEBI:135764; NSC72274; Podophyllinic acid, 2-ethylhydrazide; SP1 77; Q27265355; Naphtho[2,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, 2-ethylhydrazide, [5R-(5.alpha.,6.alpha.,7.beta.,8.alpha.)]-; Naphtho[2,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-7-hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, 2-ethylhydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72274	.	.	.	.	474.5	C24H30N2O8	128	669	1.8	34	4	9	8	"InChI=1S/C24H30N2O8/c1-5-25-26-24(29)21-15(10-27)22(28)14-9-17-16(33-11-34-17)8-13(14)20(21)12-6-18(30-2)23(32-4)19(7-12)31-3/h6-9,15,20-22,25,27-28H,5,10-11H2,1-4H3,(H,26,29)/t15-,20+,21-,22-/m0/s1"	CCNNC(=O)[C@H]1[C@@H]([C@H](C2=CC3=C(C=C2[C@H]1C4=CC(=C(C(=C4)OC)OC)OC)OCO3)O)CO	CPTIBDHUFVHUJK-NZYDNVMFSA-N
DG51491	"2-Amino-N(1),N(3)-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)isophthalamide"	251786	"NSC72564; UNII-4IGO887R37; GNF-Pf-3712; 21696-26-4; 4IGO887R37; 2-Amino-N(1),N(3)-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)isophthalamide; CHEMBL597458; SCHEMBL15788277; BDBM97438; DTXSID90176081; NSC 72564; NSC-72564; NCI60_041582; Isophthalanide, 2-amino-4',4''-di-2-imidazolin-2-yl-; 1, 2-amino-N,N'-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-; 1,3-Benzenecarboxamide, 2-amino-N,N'-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-; 2-Amino-N~1~,N~3~-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)isophthalamide; 2-amino-N1,N3-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72564	.	.	.	.	467.5	C26H25N7O2	133	762	1.4	35	5	5	6	"InChI=1S/C26H25N7O2/c27-22-20(25(34)32-18-8-4-16(5-9-18)23-28-12-13-29-23)2-1-3-21(22)26(35)33-19-10-6-17(7-11-19)24-30-14-15-31-24/h1-11H,12-15,27H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35)"	C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=C(C(=CC=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5)N	OBAUDPAEJYJNTG-UHFFFAOYSA-N
DG51492	beta-COLUBRINE	251890	"beta-COLUBRINE; COLUBRINE, BETA; Strychnine, 2-methoxy-; 2-Methoxy strychnine; 2-Methoxystrychnidin-10-one; UNII-PEK2HDB6QQ; 509-36-4; 2-Methoxystrychnine; PEK2HDB6QQ; NSC72862; (4aR,5aS,8aR,13aS,15aS,15bR)-10-methoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one; 2-Methoxy-strychnine; MLS002693787; ss-Colubrin; .beta.-Colubrine; NSC 72862; CHEMBL1994566; CHEBI:132697; Strychnidin-10-one, 2-methoxy-; NSC-72862; NCI60_041585; Strychnidin-10-one, 2-methoxy- (9CI); Q27286513"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72862	.	.	.	.	364.4	C22H24N2O3	42	737	1.9	27	0	4	1	"InChI=1S/C22H24N2O3/c1-26-13-2-3-16-15(8-13)22-5-6-23-11-12-4-7-27-17-10-19(25)24(16)21(22)20(17)14(12)9-18(22)23/h2-4,8,14,17-18,20-21H,5-7,9-11H2,1H3/t14-,17-,18-,20-,21-,22+/m0/s1"	COC1=CC2=C(C=C1)N3[C@@H]4[C@]25CCN6[C@H]5C[C@@H]7[C@H]4[C@H](CC3=O)OCC=C7C6	ZTHVHELPCLGXHF-JPPAUQSISA-N
DG51493	Noformicin	251919	"Noformicin; DL-Noformicin; (+/-)-Noformicin; NSC72942; 5-Amino-N-(3-amino-3-iminopropyl)-3,4-dihydro-2H-pyrrole-2-carboxamide; NSC-72942; DL-Noformicin sulfate; 16426-41-8; 155-38-4; (+/-)-Noformycin; Noformicin, (+/-)-; SCHEMBL3131363; CHEMBL2008751; DTXSID50935111; 2H-Pyrrole-2-carboxamide, 5-amino-N-(3-amino-3-iminopropyl)-3,4-dihydro-; NCI60_041590; Q27289571; N-(3-Amino-3-iminopropyl)-5-iminopyrrolidine-2-carboximidic acid; 5-amino-N-(3-amino-3-imino-propyl)-3,4-dihydro-2H-pyrrole-2-carboxamide; 5-Amino-N-(3-amino-3-iminopropyl)-3,4-dihydro-2H-pyrrole-2-carboxamide #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72942	.	.	.	.	197.24	C8H15N5O	117	273	-2.4	14	4	3	4	"InChI=1S/C8H15N5O/c9-6(10)3-4-12-8(14)5-1-2-7(11)13-5/h5H,1-4H2,(H3,9,10)(H2,11,13)(H,12,14)"	C1CC(=NC1C(=O)NCCC(=N)N)N	QGFXBZOMUMWGII-UHFFFAOYSA-N
DG51494	"3-Pentofuranosyl-3h-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine"	251928	"NSC72961; 35827-88-4; 8-Azadenosine; 34698-65-2; 35827-89-5; 3-pentofuranosyl-3h-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine; NCIOpen2_003672; CHEMBL37172; SCHEMBL6673170; DTXSID50908143; NSC81153; NSC-72961; NSC-81153; NSC145918; NSC146365; NSC146366; ZINC01532206; AB69414; NSC-145918; NSC-146365; NSC-146366; NCI60_041591; 3H-v-Triazolo[4, 7-amino-3-.beta.-D-ribofuranosyl-; WLN: T56 BNNN FN HNJ IZ D- BT5OTJ CQ DQ E1Q; 3H-1,3-Triazolo[4,5-d]pyrimidin-7-amine, 3-.alpha.-D-arabinofuranosyl-; 3H-1,3-Triazolo[4,5-d]pyrimidin-7-amine, 3-.beta.-D-ribofuranosyl-; (2R,3R,4S,5S)-2-(7-AMINO-3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-3-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL; 1260611-48-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72961	.	.	.	.	268.23	C9H12N6O4	152	336	-2.2	19	4	9	2	"InChI=1S/C9H12N6O4/c10-7-4-8(12-2-11-7)15(14-13-4)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H2,10,11,12)"	C1=NC(=C2C(=N1)N(N=N2)C3C(C(C(O3)CO)O)O)N	OAUKGFJQZRGECT-UHFFFAOYSA-N
DG51495	4-[Bis(2-chloroethyl)amino]-2-chlorobenzaldehyde	251946	65611-34-9; 4-[bis(2-chloroethyl)amino]-2-chlorobenzaldehyde; NSC73019; NCIOpen2_003752; SCHEMBL9730719; DTXSID80291075; ZINC1698829; NSC-73019	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73019	.	.	.	.	280.6	C11H12Cl3NO	20.3	209	3.3	16	0	2	6	"InChI=1S/C11H12Cl3NO/c12-3-5-15(6-4-13)10-2-1-9(8-16)11(14)7-10/h1-2,7-8H,3-6H2"	C1=CC(=C(C=C1N(CCCl)CCCl)Cl)C=O	HKSLIEMSMQTDPW-UHFFFAOYSA-N
DG51496	"1,4,5,6,7,7-hexachloro-3-((9H-fluoren-2-ylamino)carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid"	252008	"NSC73101; NSC-73101; CHEMBL1996385; SCHEMBL14286198; NCI60_041595; 1,4,5,6,7,7-hexachloro-3-((9H-fluoren-2-ylamino)carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73101	.	.	.	.	552.1	C22H13Cl6NO3	66.4	895	5	32	2	3	3	"InChI=1S/C22H13Cl6NO3/c23-16-17(24)21(26)15(19(31)32)14(20(16,25)22(21,27)28)18(30)29-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14-15H,7H2,(H,29,30)(H,31,32)"	C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C4C(C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O	ACQIOJGCZAKEOE-UHFFFAOYSA-N
DG51497	NSC73300	252101	"2,3-Dihydroxy-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-3-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-5-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one; NSC73300; NSC-73300; Thujaplicin mixture; CHEMBL1324842; NCI73300; CCG-36245; NCGC00013806; NCGC00013806-02; NCGC00096916-01; NCI60_041601; 2,3-dihydroxy-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-3-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-5-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73300	.	.	.	.	672.8	C40H48O9	169	1160	.	49	5	9	4	"InChI=1S/C10H12O3.3C10H12O2/c1-6(2)7-3-4-8(11)10(13)9(12)5-7;1-7(2)8-3-5-9(11)10(12)6-4-8;1-7(2)8-4-3-5-9(11)10(12)6-8;1-7(2)8-5-3-4-6-9(11)10(8)12/h3-6H,1-2H3,(H2,11,12,13);3*3-7H,1-2H3,(H,11,12)"	CC(C)C1=CC=C(C(=O)C=C1)O.CC(C)C1=CC(=O)C(=CC=C1)O.CC(C)C1=CC(=O)C(=C(C=C1)O)O.CC(C)C1=C(C(=O)C=CC=C1)O	SCKSOYQGQHMOHA-UHFFFAOYSA-N
DG51498	"N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine"	252116	"55474-82-3; UNII-ZOR8GEY3CT; ZOR8GEY3CT; NSC73346; MLS002693869; N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine; Guanidine, 1-(4,6-dimethyl-2-pyrimidinyl)-3-phenethyl-; 1-(4,6-dimethylpyrimidin-2-yl)-3-phenethyl-guanidine; NSC 73346; NCIOpen2_003969; CHEMBL363221; SCHEMBL2801059; DTXSID40204040; HMS3085F09; NSC-73346; ZINC31649203; SMR001559810; Guanidine,6-dimethyl-2-pyrimidinyl)-3-phenethyl-; 1-(4,6-Dimethylpyrimidine-2-yl)-3-phenethylguanidine; N-(4,6-Dimethyl-pyrimidin-2-yl)-N'-phenethyl-methanetriamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73346	.	.	.	.	269.34	C15H19N5	76.2	301	2	20	2	3	5	"InChI=1S/C15H19N5/c1-11-10-12(2)19-15(18-11)20-14(16)17-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H3,16,17,18,19,20)"	CC1=CC(=NC(=N1)NC(=NCCC2=CC=CC=C2)N)C	FVBRWQIUJUHLKQ-UHFFFAOYSA-N
DG51499	"N(4)-(4-Bromophenyl)-N(2)-methyl-5-nitroso-2,4,6-pyrimidinetriamine"	252368	"NSC74199; 91192-70-0; N(4)-(4-Bromophenyl)-N(2)-methyl-5-nitroso-2,4,6-pyrimidinetriamine; Pyrimidine, 4-amino-6-(p-bromoanilino)-2-(methylamino)-5-nitroso-; NSC 74199; NCIOpen2_008981; CHEMBL1977717; DTXSID00238442; ZINC4775237; NSC-74199; NCI60_041623; 2,4,6-Pyrimidinetriamine, N4-(4-bromophenyl)-N2-methyl-5-nitroso-; 2,6-Pyrimidinetriamine, N4-(4-bromophenyl)-N2-methyl-5-nitroso-; N6-(4-bromophenyl)-N2-methyl-5-nitroso-pyrimidine-2,4,6-triamine; N~4~-(4-Bromophenyl)-N~2~-methyl-5-nitroso-2,4,6-pyrimidinetriamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	74199	.	.	.	.	323.15	C11H11BrN6O	105	299	2.7	19	3	7	3	"InChI=1S/C11H11BrN6O/c1-14-11-16-9(13)8(18-19)10(17-11)15-7-4-2-6(12)3-5-7/h2-5H,1H3,(H4,13,14,15,16,17)"	CNC1=NC(=C(C(=N1)NC2=CC=C(C=C2)Br)N=O)N	UMSTYZICPACHCX-UHFFFAOYSA-N
DG51500	"Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester"	252586	"16601-40-4; S-Benzyl phenylmethanesulfonothioate; NSC74663; Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester; S-Benzyl phenylmethanethiosulfonate; benzylsulfonylsulfanylmethylbenzene; NSC 74663; CHEMBL2000292; DTXSID4075112; NSC-74663; S-Benzyl phenylmethanesulfonothioate #; NCI60_041635; Phenylmethanethiosulfonic acid S-benzyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	74663	.	.	.	.	278.4	C14H14O2S2	67.8	320	3	18	0	3	5	"InChI=1S/C14H14O2S2/c15-18(16,12-14-9-5-2-6-10-14)17-11-13-7-3-1-4-8-13/h1-10H,11-12H2"	C1=CC=C(C=C1)CSS(=O)(=O)CC2=CC=CC=C2	LAVBKIWRWNKSGD-UHFFFAOYSA-N
DG51501	2-Hydroxy-4-(2-(tosyloxy)acetamido)benzoic acid	252682	"501919-59-1; Nsc 74859; S3I-201; 2-hydroxy-4-(2-(tosyloxy)acetamido)benzoic acid; S31-201; NSC-74859; NSC74859; UNII-JG1E8503OI; MLS002701911; S3I201; S3I 201; JG1E8503OI; 2-Hydroxy-4-[[2-[[(4-methylphenyl)sulfonyl]oxy]acetyl]amino]benzoic acid; Benzoic acid, 2-hydroxy-4-((2-(((4-methylphenyl)sulfonyl)oxy)acetyl)amino)-; SMR001565495; Benzoic acid, 2-hydroxy-4-[[2-[[(4-methylphenyl)sulfonyl]oxy]acetyl]amino]-; Salicylic acid, 4-p-toluenesulfonate; STAT3-inhibitor-VI; NSC 74859 (S3I-201); NCIOpen2_008987; MLS006011065; CHEMBL477936; cid_252682; SCHEMBL4456216; BDBM20283; CHEBI:91224; AOB4162; DTXSID00198234; EX-A342; GLG-302; BCPP000083; HMS3654C12; BCP01761; ZINC1621282; 2-hydroxy-4-[[2-(4-methylphenyl)sulfonyloxyacetyl]amino]benzoic acid; s1155; AKOS016366328; AM81245; CCG-268227; CS-0512; QC-8386; SB17268; NCGC00262641-02; NSC 74859,S3I-201; AC-32045; AS-55944; HY-15146; FT-0704713; S3I-201 (NSC-74859); S3I-201 - NSC 74859; SW219398-1; X7562; S3I-201, >=97% (HPLC); A25494; J-509627; Q27163139; 2-hydroxy-4-((((4-methylphenyl)sulfonyloxy)acetyl)amino)-benzoic acid; 2-hydroxy-4-(2-{[(4-methylbenzene)sulfonyl]oxy}acetamido)benzoic acid; 2-Hydroxy-4-[[[[(4-methylphenyl)sulfonyl]oxy]acetyl]amino]-benzoic acid; 2-hydroxy-4-{2-[(4-methylbenzene-1-sulfonyl)oxy]acetamido}benzoic acid; S3I-201; ; ; 2-Hydroxy-4-[[2-(4-methylphenyl)sulfonyloxyacetyl]amino]benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	74859	.	.	.	.	365.4	C16H15NO7S	138	578	3	25	3	7	6	"InChI=1S/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)"	CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)NC2=CC(=C(C=C2)C(=O)O)O	HWNUSGNZBAISFM-UHFFFAOYSA-N
DG51502	"meso-2,3-Diphenylsuccinic acid"	253131	"meso-2,3-Diphenylsuccinic acid; 1225-13-4; (2S,3R)-2,3-diphenylbutanedioic acid; trans-2,3-Diphenylsuccinic acid; NSC75627; Butanedioic acid, 2,3-diphenyl-, (2R,3S)-rel-; (2r,3s)-2,3-diphenylsuccinic acid; NSC-75627; CHEMBL1991958; SCHEMBL11315838; meso-2,3-Diphenylbutanedioic Acid; Succinic acid,3-diphenyl-, meso-; ZINC185393; BAA22513; MFCD00198082; NCI60_041658; Butanedioic acid,3-diphenyl-, (R*,S*)-; D2209; T70157"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	75627	.	.	.	.	270.28	C16H14O4	74.6	306	2.6	20	2	4	5	"InChI=1S/C16H14O4/c17-15(18)13(11-7-3-1-4-8-11)14(16(19)20)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,18)(H,19,20)/t13-,14+"	C1=CC=C(C=C1)[C@H]([C@H](C2=CC=CC=C2)C(=O)O)C(=O)O	PVXCQHHWNDJIJP-OKILXGFUSA-N
DG51503	Benzylpenillic acid	253302	"Benzylpenillic acid; 13093-87-3; NSC76064; 5-benzyl-2,2-dimethyl-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid; MLS002693971; 5-benzyl-2,2-dimethyl-7,7a-dihydro-3H-imidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid; NSC-76064; CHEMBL1733416; DTXSID80291510; HMS3094O13; Benzylpenicillin EP(CP) Impurity D; NCI60_041676; SMR001559906; 5-Benzyl-2,2-dimethyl-2,3,7,7a-tetrahydroimidazo[5,1-b]thiazole-3,7-dicarboxylic acid; 5-Benzyl-2,2-dimethyl-2,3,7,7a-tetrahydroimidazo[5,1-b]thiazole-3,7-dicarboxylicacid; Imidazo[5,7-dicarboxylic acid, 2,3,7,7a-tetrahydro-2,2-dimethyl-5-(phenylmethyl)-; Imidazo[5,7-dicarboxylic acid, 5-benzyl-2,3,7,7a-tetrahydro-2,2-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76064	.	.	.	.	334.4	C16H18N2O4S	116	542	1.6	23	2	6	4	"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-10(8-9-6-4-3-5-7-9)17-11(14(19)20)13(18)23-16/h3-7,11-13H,8H2,1-2H3,(H,19,20)(H,21,22)"	CC1(C(N2C(S1)C(N=C2CC3=CC=CC=C3)C(=O)O)C(=O)O)C	PSPRNQOVLYLHSA-UHFFFAOYSA-N
DG51504	"Uridine, 2'-deoxy-5-fluoro-5'-thio-"	253426	"2010-21-1; NSC76351; NCIOpen2_004155; CHEMBL1989101; DTXSID70942125; NSC-76351; Uridine, 2'-deoxy-5-fluoro-5'-thio-; NCI60_041684; 1-(2-Deoxy-5-thiopentofuranosyl)-5-fluoro-4-hydroxypyrimidin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76351	.	.	.	.	262.26	C9H11FN2O4S	79.9	389	-0.7	17	3	6	2	"InChI=1S/C9H11FN2O4S/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(3-17)16-7/h2,5-7,13,17H,1,3H2,(H,11,14,15)"	C1C(C(OC1N2C=C(C(=O)NC2=O)F)CS)O	PFPJGSFIFKFILK-UHFFFAOYSA-N
DG51505	1-(4-Bromophenyl)-3-carbamoylurea	253519	NSC76518; NCIOpen2_003995; CHEMBL1982959; ZINC1707933; NSC-76518; NCI60_041686	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76518	.	.	.	.	258.07	C8H8BrN3O2	84.2	227	2.3	14	3	2	1	"InChI=1S/C8H8BrN3O2/c9-5-1-3-6(4-2-5)11-8(14)12-7(10)13/h1-4H,(H4,10,11,12,13,14)"	C1=CC(=CC=C1NC(=O)NC(=O)N)Br	OIAVPSZXWZTVCJ-UHFFFAOYSA-N
DG51506	"3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl"	253522	"3,3'-dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl; 14185-44-5; NSC76523; CHEMBL1972496; DTXSID60291573; NSC-76523; ZINC73292436; DS-008150; 1,1-Biphenyl,3,3-dimethyl-2,2,4,4,6,6-hexanitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76523	.	.	.	.	452.25	C14H8N6O12	275	751	3.3	32	0	12	1	"InChI=1S/C14H8N6O12/c1-5-7(15(21)22)3-9(17(25)26)11(13(5)19(29)30)12-10(18(27)28)4-8(16(23)24)6(2)14(12)20(31)32/h3-4H,1-2H3"	CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C(=C2[N+](=O)[O-])C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	YREWUMZAYZMEAP-UHFFFAOYSA-N
DG51507	Mimbane	253676	"Mimbane; 1-Methylyohimbane; 1-Methylyohimban; 3277-59-6; Yohimban, 1-methyl-; UNII-J9XW583M0N; J9XW583M0N; NSC-76808; Mimbane [INN]; Mimban; NSC76808; NSC 76808; SCHEMBL488924; CHEMBL2110983; ZINC4213866; Q27281392; (1S,15R,20S)-3-methyl-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban; 1,3,4,4a,5,7,8,13,13b,14,14a-Dodecahydro-13-methylbenz[g]indolo[2,3-a]quinolizine; Benz[g]indolo[2, 1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-13-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76808	.	.	.	.	294.4	C20H26N2	8.2	422	4.3	22	0	1	0	"InChI=1S/C20H26N2/c1-21-18-9-5-4-8-16(18)17-10-11-22-13-15-7-3-2-6-14(15)12-19(22)20(17)21/h4-5,8-9,14-15,19H,2-3,6-7,10-13H2,1H3/t14-,15-,19-/m0/s1"	CN1C2=CC=CC=C2C3=C1[C@@H]4C[C@@H]5CCCC[C@H]5CN4CC3	SNMPZBCEJSLAEK-DOXZYTNZSA-N
DG51508	NSC76919	253712	"5-Amino-6-(7-amino-6-methoxy-5,8-dioxo-1,2,3,4,5,8-hexahydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid; NSC76919; CHEMBL1970598; NSC-76919; NCI60_041692; 2-Pyridinecarboxylic acid,2,3,4,5,8-hexahydro- 5,8-dioxo-2-quinolinyl)-4-(2-hydroxy- 3,4-dimethoxyphenyl)-3-methyl-; 5-Amino-6-(7-amino-6-methoxy-5,8-dioxo-1,2,3,4,5,8-hexahydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid; 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-1,2,3,4-tetrahydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxy-phenyl)-3-methyl-pyridine-2-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76919	.	.	.	.	510.5	C25H26N4O8	196	1010	1.6	37	5	12	6	"InChI=1S/C25H26N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h6,8,12,28,30H,5,7,26-27H2,1-4H3,(H,33,34)"	CC1=C(C(=C(N=C1C(=O)O)C2CCC3=C(N2)C(=O)C(=C(C3=O)OC)N)N)C4=C(C(=C(C=C4)OC)OC)O	SQYHNFNEPRVUKC-UHFFFAOYSA-N
DG51509	"4-(anilinomethyl)-N,N-bis(2-chloroethyl)aniline"	253728	NSC76937; NCIOpen2_008554; ZINC1708257; NSC-76937	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76937	.	.	.	.	323.3	C17H20Cl2N2	15.3	256	4.4	21	1	2	8	"InChI=1S/C17H20Cl2N2/c18-10-12-21(13-11-19)17-8-6-15(7-9-17)14-20-16-4-2-1-3-5-16/h1-9,20H,10-14H2"	C1=CC=C(C=C1)NCC2=CC=C(C=C2)N(CCCl)CCCl	XWEUZDBSLDJWAS-UHFFFAOYSA-N
DG51510	diethyl 2-acetamido-2-[[7-[bis(2-hydroxyethyl)amino]-1H-indol-3-yl]methyl]propanedioate	253773	NSC77007; ZINC4821767; NSC-77007	.	.	Investigative Drug(s)	Investigative	Small molecular drug	77007	.	.	.	.	449.5	C22H31N3O7	141	621	1	32	4	8	14	"InChI=1S/C22H31N3O7/c1-4-31-20(29)22(24-15(3)28,21(30)32-5-2)13-16-14-23-19-17(16)7-6-8-18(19)25(9-11-26)10-12-27/h6-8,14,23,26-27H,4-5,9-13H2,1-3H3,(H,24,28)"	CCOC(=O)C(CC1=CNC2=C1C=CC=C2N(CCO)CCO)(C(=O)OCC)NC(=O)C	HSELHOSLVXGMDS-UHFFFAOYSA-N
DG51511	"(2,4-Dimethoxyphenyl)(4-methoxyphenyl)methanone"	254174	"(2,4-dimethoxyphenyl)(4-methoxyphenyl)methanone; 4038-15-7; 2,4,4'-TRIMETHOXYBENZOPHENONE; (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone; (2,4-dimethoxy-phenyl)-(4-methoxy-phenyl)-methanone; NSC78015; Maybridge1_005563; Oprea1_837791; MLS000861006; DivK1c_001851; SCHEMBL5902231; CHEMBL1608361; HMS557E19; DTXSID40291793; BDBM152505; ZINC173362; MFCD00100089; NSC-78015; 2,4-dimethoxy-4'-methoxybenzophenone; AKOS009159039; 2, 4-dimethoxy-4'-methoxybenzophenone; MCULE-6406860494; CDS1_000811; AS-67576; SMR000459790; DB-049577; CS-0150424; FT-0609775; EN300-73302; D97417; (2,4-dimethoxyphenyl)(4-methoxyphenyl)methanone (18); Z1258943340; Ethanone, 1-(3,4-dihydroxyphenyl)-2-[(1-methylethyl)amino]-, hydrochloride (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	78015	.	.	.	.	272.29	C16H16O4	44.8	310	3.2	20	0	4	5	"InChI=1S/C16H16O4/c1-18-12-6-4-11(5-7-12)16(17)14-9-8-13(19-2)10-15(14)20-3/h4-10H,1-3H3"	COC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)OC	VFTDVICZBGDMMB-UHFFFAOYSA-N
DG51512	"N,N-bis(2-chloroethyl)-4-(6-chloropurin-9-yl)aniline"	254234	"MLS002694061; 16208-04-1; NSC78298; NCIOpen2_008751; CHEMBL1900877; DTXSID50291805; HMS3079J15; ZINC1718768; NSC-78298; SMR001559993; DS-006635; BENZENAMINE,N,N-BIS(2-CHLOROETHYL)-4-(6-CHLORO-9H-PURIN-9-YL)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	78298	.	.	.	.	370.7	C15H14Cl3N5	46.8	361	4	23	0	4	6	"InChI=1S/C15H14Cl3N5/c16-5-7-22(8-6-17)11-1-3-12(4-2-11)23-10-21-13-14(18)19-9-20-15(13)23/h1-4,9-10H,5-8H2"	C1=CC(=CC=C1N2C=NC3=C2N=CN=C3Cl)N(CCCl)CCCl	QRPGGRCHUPLCMK-UHFFFAOYSA-N
DG51513	"Guanidine, 1-(p-butoxyphenyl)-3-(p-chlorophenyl)-"	254258	"NSC78365; NSC-78365; NCIMech_000260; CHEMBL1165112; ZINC5421922; CCG-35372; NCI60_041730; 1-(4-Chlorophenyl)-3-(4-butoxyphenyl)guanidine; Guanidine, 1-(p-butoxyphenyl)-3-(p-chlorophenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	78365	.	.	.	.	317.8	C17H20ClN3O	59.6	335	4.2	22	2	2	7	"InChI=1S/C17H20ClN3O/c1-2-3-12-22-16-10-8-15(9-11-16)21-17(19)20-14-6-4-13(18)5-7-14/h4-11H,2-3,12H2,1H3,(H3,19,20,21)"	CCCCOC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)Cl)N	RFYALWRZJIRDDV-UHFFFAOYSA-N
DG51514	"3-Hydroxy-2-(2,4,6-trimethoxyphenyl)chromen-4-one"	254343	"NSC78634; CHEMBL76933; MLS002701916; 3-hydroxy-2-(2,4,6-trimethoxyphenyl)chromen-4-one; 3-Hydroxy-2-(2,4,6-trimethoxyphenyl)-4H-chromen-4-one; ZINC1718914; BDBM50051339; 2',4',6'-Trimethoxy-3-hydroxyflavone; NCI60_041736; SMR001565500; 4H-1-Benzopyran-4-one,4,6-trimethoxyphenyl)-; 3-Hydroxy-2-(2,4,6-trimethoxy-phenyl)-chromen-4-one; 4H-1-Benzopyran-4-one, 3-hydroxy- 2-(2,4,6-trimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	78634	.	.	.	.	328.3	C18H16O6	74.2	488	2.9	24	1	6	4	"InChI=1S/C18H16O6/c1-21-10-8-13(22-2)15(14(9-10)23-3)18-17(20)16(19)11-6-4-5-7-12(11)24-18/h4-9,20H,1-3H3"	COC1=CC(=C(C(=C1)OC)C2=C(C(=O)C3=CC=CC=C3O2)O)OC	VXUQKRREWQZEQR-UHFFFAOYSA-N
DG51515	Ethyl 4-[(4-chloro-3-oxobutyl)(formyl)amino]benzoate	254720	"4261-02-3; NSC79250; ethyl 4-[(4-chloro-3-oxobutyl)(formyl)amino]benzoate; DTXSID30291949; Benzoic acid,4-[(4-chloro-3-oxobutyl)formylamino]-, ethyl ester; NSC-79250; DS-007172"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79250	.	.	.	.	297.73	C14H16ClNO4	63.7	340	1.8	20	0	4	8	"InChI=1S/C14H16ClNO4/c1-2-20-14(19)11-3-5-12(6-4-11)16(10-17)8-7-13(18)9-15/h3-6,10H,2,7-9H2,1H3"	CCOC(=O)C1=CC=C(C=C1)N(CCC(=O)CCl)C=O	YTIHVRBBTKXDRM-UHFFFAOYSA-N
DG51516	"2-Chloro-1-[4-(2-chloroacetyl)-2,3-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone"	254760	"MLS002694120; 6699-50-9; NSC79304; NCIOpen2_008912; CHEMBL1726827; DTXSID50291961; HMS3085E24; NSC-79304; 2-chloro-1-[4-(2-chloroacetyl)-2,3-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone; SMR001560051; DS-003984"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79304	.	.	.	.	315.2	C14H16Cl2N2O2	40.6	355	2.5	20	0	2	2	"InChI=1S/C14H16Cl2N2O2/c1-9-10(2)18(14(20)8-16)12-6-4-3-5-11(12)17(9)13(19)7-15/h3-6,9-10H,7-8H2,1-2H3"	CC1C(N(C2=CC=CC=C2N1C(=O)CCl)C(=O)CCl)C	FVCSHCORWAOAEB-UHFFFAOYSA-N
DG51517	"1,3-Bis(4-chlorobenzyl)-2-(9-phenanthryl)hexahydropyrimidine"	254860	"NSC79563; NSC-79563; NCIStruc1_000261; NCIStruc2_001602; CHEMBL1398138; 1,3-bis(4-chlorobenzyl)-2-(9-phenanthryl)hexahydropyrimidine; NCI79563; CCG-37476; NCGC00013853; ZINC19319578; NCGC00013853-02; NCGC00096963-01; NCI60_041757; 1,3-bis(4-chlorobenzyl)-2-(phenanthren-9-yl)hexahydropyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79563	.	.	.	.	511.5	C32H28Cl2N2	6.5	654	8.8	36	0	2	5	"InChI=1S/C32H28Cl2N2/c33-26-14-10-23(11-15-26)21-35-18-5-19-36(22-24-12-16-27(34)17-13-24)32(35)31-20-25-6-1-2-7-28(25)29-8-3-4-9-30(29)31/h1-4,6-17,20,32H,5,18-19,21-22H2"	C1CN(C(N(C1)CC2=CC=C(C=C2)Cl)C3=CC4=CC=CC=C4C5=CC=CC=C53)CC6=CC=C(C=C6)Cl	ILRCCCMLZKMQGT-UHFFFAOYSA-N
DG51518	"3-(5,6a-dimethyl-3-oxo-7-propanoyloxy-2,4a,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]chromen-5-yl)propanoic acid"	254882	"NSC79606; NCIOpen2_008756; NSC-79606; 3-(5,6a-dimethyl-3-oxo-7-propanoyloxy-2,4a,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]chromen-5-yl)propanoic acid; 3-(5,6a-Dimethyl-3-oxo-7-(propionyloxy)dodecahydrocyclopenta[f]chromen-5-yl)propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79606	.	.	.	.	366.4	C20H30O6	89.9	601	3	26	1	6	6	"InChI=1S/C20H30O6/c1-4-16(23)25-14-7-6-13-12-5-8-17(24)26-18(12)19(2,10-9-15(21)22)11-20(13,14)3/h12-14,18H,4-11H2,1-3H3,(H,21,22)"	CCC(=O)OC1CCC2C1(CC(C3C2CCC(=O)O3)(C)CCC(=O)O)C	MVEKQKDGIZGWCM-UHFFFAOYSA-N
DG51519	"1,4-Bis(2-methylaziridin-1-yl)butane-2,3-diol"	254975	"15870-20-9; 2, 1,4-bis(2-methyl-1-aziridinyl)-; 1,4-bis(2-methylaziridin-1-yl)butane-2,3-diol; NSC83287; NCIOpen2_000664; NCIOpen2_000864; NCIOpen2_001244; DTXSID00292044; NSC80103; NSC80104; NSC-80103; NSC-80104; NSC-83287"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80103	.	.	.	.	200.28	C10H20N2O2	46.5	190	-0.5	14	2	4	5	"InChI=1S/C10H20N2O2/c1-7-3-11(7)5-9(13)10(14)6-12-4-8(12)2/h7-10,13-14H,3-6H2,1-2H3"	CC1CN1CC(C(CN2CC2C)O)O	JIXGRSTZINBWQO-UHFFFAOYSA-N
DG51520	"4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline"	254980	"4-(benzyloxy)-n,n-bis(2-chloroethyl)aniline; 17794-35-3; NSC80111; NCIOpen2_009271; SCHEMBL4914033; DTXSID80292047; ZINC1724322; NSC-80111; DS-009902; BENZENAMINE,N,N-BIS(2-CHLOROETHYL)-4-(PHENYLMETHOXY)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80111	.	.	.	.	324.2	C17H19Cl2NO	12.5	258	4.7	21	0	2	8	"InChI=1S/C17H19Cl2NO/c18-10-12-20(13-11-19)16-6-8-17(9-7-16)21-14-15-4-2-1-3-5-15/h1-9H,10-14H2"	C1=CC=C(C=C1)COC2=CC=C(C=C2)N(CCCl)CCCl	AICZHGUHMDUPES-UHFFFAOYSA-N
DG51521	Benzyl 1-aminocyclopentanecarboxylate 4-methylbenzenesulfonate	254983	"NSC80126; NSC-80126; SCHEMBL4615932; CHEMBL1399699; NCI80126; CCG-37320; NCGC00013854; NCGC00013854-02; NCGC00096964-01; NCI60_041764; benzyl 1-aminocyclopentanecarboxylate 4-methylbenzenesulfonate; Cyclopentanecarboxylic acid, benzyl ester, p-toluenesulfonate; 1-aminocyclopentanecarboxylic acid benzyl ester p-toluenesulfonic acid salt; Cyclopentanecarboxylic acid, phenylmethyl ester, 4-methylbenzenesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80126	.	.	.	.	391.5	C20H25NO5S	115	447	.	27	2	6	5	"InChI=1S/C13H17NO2.C7H8O3S/c14-13(8-4-5-9-13)12(15)16-10-11-6-2-1-3-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,6-7H,4-5,8-10,14H2;2-5H,1H3,(H,8,9,10)"	CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(C1)(C(=O)OCC2=CC=CC=C2)N	JSLBQWTZDSOEJN-UHFFFAOYSA-N
DG51522	"6,7-dichloro-9H-fluoren-2-amine"	254996	"6,7-dichloro-9H-fluoren-2-amine; NSC80141; MLS002694393; NSC-80141; 97027-56-0; NCIOpen2_004206; CHEMBL1700730; HMS3088O03; ZINC1724340; SMR001560322"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80141	.	.	.	.	250.12	C13H9Cl2N	26	271	4.4	16	1	1	0	"InChI=1S/C13H9Cl2N/c14-12-5-8-3-7-4-9(16)1-2-10(7)11(8)6-13(12)15/h1-2,4-6H,3,16H2"	C1C2=CC(=C(C=C2C3=C1C=C(C=C3)N)Cl)Cl	PAILPOTUYGAUEW-UHFFFAOYSA-N
DG51523	1-(4-Cyanophenyl)-3-[4-[4-[(4-cyanophenyl)carbamoylamino]phenoxy]phenyl]urea	255329	NSC80734; MLS000736875; CHEMBL1304177; GTPL10497; HMS2852N15; NSC-80734; 1-(4-cyanophenyl)-3-[4-[4-[(4-cyanophenyl)carbamoylamino]phenoxy]phenyl]urea; SMR000528359	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80734	.	.	.	.	488.5	C28H20N6O3	139	776	4	37	4	5	6	"InChI=1S/C28H20N6O3/c29-17-19-1-5-21(6-2-19)31-27(35)33-23-9-13-25(14-10-23)37-26-15-11-24(12-16-26)34-28(36)32-22-7-3-20(18-30)4-8-22/h1-16H,(H2,31,33,35)(H2,32,34,36)"	C1=CC(=CC=C1C#N)NC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C#N	NKTXGJQCHFJKQJ-UHFFFAOYSA-N
DG51524	1-(4-Nitrophenyl)-3-[4-[4-[(4-nitrophenyl)carbamoylamino]phenoxy]phenyl]urea	255330	MLS000736876; CHEMBL1432046; NSC80735; HMS2884L09; ZINC4896601; BDBM50269653; NSC-80735; SMR000528360	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80735	.	.	.	.	528.5	C26H20N6O7	183	765	4.2	39	4	7	6	"InChI=1S/C26H20N6O7/c33-25(27-17-1-9-21(10-2-17)31(35)36)29-19-5-13-23(14-6-19)39-24-15-7-20(8-16-24)30-26(34)28-18-3-11-22(12-4-18)32(37)38/h1-16H,(H2,27,29,33)(H2,28,30,34)"	C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]	GXCFQNUEHPMLFI-UHFFFAOYSA-N
DG51525	"Hydrouracil, 5-bromo-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-5-fluoro-6-methoxy-"	255402	"1031-61-4; NSC80870; NCIOpen2_009013; Uridine,6-dihydro-6-methoxy-; SCHEMBL6671773; CHEMBL1969630; DTXSID20908195; NSC-80870; NCI60_041774; 5-Bromo-1-(2-deoxy-.beta.-D-ribofuranosyl)-5-fluoro-6-methoxyhydrouracil; Hydrouracil, 5-bromo-1-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-5-fluoro-6-methoxy-; Hydrouracil, 5-bromo-1-(2-deoxy-.beta.-D-ribofuranosyl)-5-fluoro-6-methoxy-; 5-Bromo-1-(2-deoxypentofuranosyl)-5-fluoro-4-hydroxy-6-methoxy-5,6-dihydropyrimidin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80870	.	.	.	.	357.13	C10H14BrFN2O6	108	427	-0.3	20	3	7	3	"InChI=1S/C10H14BrFN2O6/c1-19-8-10(11,12)7(17)13-9(18)14(8)6-2-4(16)5(3-15)20-6/h4-6,8,15-16H,2-3H2,1H3,(H,13,17,18)"	COC1C(C(=O)NC(=O)N1C2CC(C(O2)CO)O)(F)Br	JXBABPBZPSKYSI-UHFFFAOYSA-N
DG51526	NSC80997	255437	"1-[(1r,2r,3As,3bs,10ar,10bs,11s,12as)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]ethanone; 14000-43-2; NSC80997; 1-[(1r,2r,3as,3bs,10ar,10bs,11s,12as)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]ethanone; CHEMBL4296856; DTXSID20292223; ZINC4896677; NSC-80997; 2,3'-Pyrazolo)pregna-4,6-dien-20-one, 11.beta.,17-dihydroxy-6,16.alpha.-dimethyl-2'-phenyl-; Ketone,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydro-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenylcyclopenta[7,8]phenanthro[2,3-c]pyrazol-1-yl methyl"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80997	.	.	.	.	472.6	C30H36N2O3	75.4	969	4	35	2	4	2	"InChI=1S/C30H36N2O3/c1-17-11-22-24-12-18(2)30(35,19(3)33)29(24,5)15-26(34)27(22)28(4)14-20-16-31-32(25(20)13-23(17)28)21-9-7-6-8-10-21/h6-11,13,16,18,22,24,26-27,34-35H,12,14-15H2,1-5H3/t18-,22+,24+,26+,27-,28+,29+,30+/m1/s1"	C[C@@H]1C[C@H]2[C@@H]3C=C(C4=CC5=C(C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)C)O)C)O)C)C=NN5C6=CC=CC=C6)C	JNLRDLXILRYUQT-RCBUNWFXSA-N
DG51527	"7-Chloro-6-methoxyquinoline-5,8-dione"	255470	"59962-96-8; 7-chloro-6-methoxyquinoline-5,8-dione; NSC81048; SCHEMBL9669361; CHEMBL1976886; DTXSID10292237; NSC-81048; NCI60_041780"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	81048	.	.	.	.	223.61	C10H6ClNO3	56.3	351	1.7	15	0	4	1	"InChI=1S/C10H6ClNO3/c1-15-10-6(11)9(14)7-5(8(10)13)3-2-4-12-7/h2-4H,1H3"	COC1=C(C(=O)C2=C(C1=O)C=CC=N2)Cl	YAHHUAWLRNXMJC-UHFFFAOYSA-N
DG51528	"3,3',4,4',5-Pentamethoxybenzophenone"	255605	"3,3',4,4',5-Pentamethoxybenzophenone; 22699-97-4; (3,4-dimethoxyphenyl)(3,4,5-trimethoxyphenyl)methanone; MLS002694421; (3,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone; Methanone,(3,4-dimethoxyphenyl)(3,4,5-trimethoxyphenyl)-; NSC81274; Benzophenone, 3,3',4,4',5-pentamethoxy-; CHEMBL47505; SCHEMBL4824662; DTXSID10292272; HMS3089I16; Methanone, (3,4-dimethoxyphenyl)(3,4,5-trimethoxyphenyl)-; ZINC1574350; MFCD00025726; NSC-81274; AKOS024332424; MCULE-3460162821; Benzophenone,3',4,4',5-pentamethoxy-; NCI60_041784; SMR001560350; Methanone,4-dimethoxyphenyl)(3,4,5-trimethoxyphenyl)-; (3,4-Dimethoxy-phenyl)-(3,4,5-trimethoxy-phenyl)-methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	81274	.	.	.	.	332.3	C18H20O6	63.2	387	3.1	24	0	6	7	"InChI=1S/C18H20O6/c1-20-13-7-6-11(8-14(13)21-2)17(19)12-9-15(22-3)18(24-5)16(10-12)23-4/h6-10H,1-5H3"	COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC	LEGVQFQAMCUMQW-UHFFFAOYSA-N
DG51529	N-fluoranthen-2-ylacetamide	255622	MLS002694422; SMR001560351; 13823-55-7; N-fluoranthen-2-ylacetamide; n-(fluoranthen-2-yl)acetamide; NSC81303; NCIOpen2_004269; N-fluoranthen-2-ylethanamide; N-(2-fluoranthenyl)acetamide; cid_255622; CHEMBL1711735; DTXSID40292280; BDBM100167; HMS3089I14; ZINC1574366; NSC-81303	.	.	Investigative Drug(s)	Investigative	Small molecular drug	81303	.	.	.	.	259.3	C18H13NO	29.1	393	4.3	20	1	1	1	"InChI=1S/C18H13NO/c1-11(20)19-13-9-12-5-4-8-16-14-6-2-3-7-15(14)17(10-13)18(12)16/h2-10H,1H3,(H,19,20)"	CC(=O)NC1=CC2=C3C(=C1)C=CC=C3C4=CC=CC=C42	DCGVCFDUNWGKEI-UHFFFAOYSA-N
DG51530	NSC81403	255700	"[2-[(1S,2R,13S,14S,16R,17R,18S,20S)-7-(4-fluorophenyl)-17,20-dihydroxy-2,11,16,18-tetramethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]-2-oxoethyl] acetate; NSC81403; NSC-81403; 2'H-Pregna-2,6-trieno[3,2-c]pyrazol-20-one, 21-(acetyloxy)-2'-(4-fluorophenyl)-11,17-dihydroxy-6,16-dimethyl-, (11.beta.,16.alpha.)-; 2,3'-Pyrazolo)pregna-4,6-dien-20-one, 2'-(p-fluorophenyl)-11.beta.,17,21-trihydroxy-6,16.alpha.-dimethyl-, 21-acetate; Ketone,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydro-1,11-dihydroxy-2,5,10a,12a-tetramethylcyclopenta-[7,8]phenanthro[2,3-c]pyrazol-1-yl hydroxymethyl, acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	81403	.	.	.	.	548.6	C32H37FN2O5	102	1130	4	40	2	7	5	"InChI=1S/C32H37FN2O5/c1-17-10-23-25-11-18(2)32(39,28(38)16-40-19(3)36)31(25,5)14-27(37)29(23)30(4)13-20-15-34-35(26(20)12-24(17)30)22-8-6-21(33)7-9-22/h6-10,12,15,18,23,25,27,29,37,39H,11,13-14,16H2,1-5H3/t18-,23+,25+,27+,29-,30+,31+,32+/m1/s1"	C[C@@H]1C[C@H]2[C@@H]3C=C(C4=CC5=C(C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)C)C=NN5C6=CC=C(C=C6)F)C	KJNKUWPHEOSYKL-YKODMQRZSA-N
DG51531	"5,5-Dimethyl-6,6a,12,12a-tetrahydrobenzo[c]acridin-7-one"	255766	"NSC81517; NCIOpen2_004273; CHEMBL1972314; 5,5-dimethyl-6,6a,12,12a-tetrahydrobenzo[c]acridin-7-one; NSC-81517; NCI60_041788; 5,5-Dimethyl-6,6a,12,12a-tetrahydro-5H-benzo[c]acridin-7-one; Benz[c]acridin-7(5H)-one,6a,12,12a-tetrahydro-5,5-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	81517	.	.	.	.	277.4	C19H19NO	29.1	429	4.2	21	1	2	0	"InChI=1S/C19H19NO/c1-19(2)11-14-17(12-7-3-5-9-15(12)19)20-16-10-6-4-8-13(16)18(14)21/h3-10,14,17,20H,11H2,1-2H3"	CC1(CC2C(C3=CC=CC=C31)NC4=CC=CC=C4C2=O)C	YELPSWNUSCYROL-UHFFFAOYSA-N
DG51532	1-((Benzylamino)methyl)-2-naphthalenethiol	255831	NSC81747; NSC-81747; 1-((benzylamino)methyl)-2-naphthalenethiol; NCIStruc1_000358; NCIStruc2_000412; CHEMBL1371696; SCHEMBL15684680; NCI81747; ZINC1627327; CCG-36348; NCGC00013862; NCGC00013862-02; NCGC00096972-01; NCI60_041792	.	.	Investigative Drug(s)	Investigative	Small molecular drug	81747	.	.	.	.	279.4	C18H17NS	13	287	4.2	20	2	2	4	"InChI=1S/C18H17NS/c20-18-11-10-15-8-4-5-9-16(15)17(18)13-19-12-14-6-2-1-3-7-14/h1-11,19-20H,12-13H2"	C1=CC=C(C=C1)CNCC2=C(C=CC3=CC=CC=C32)S	BLEHTALMHJHORQ-UHFFFAOYSA-N
DG51533	2-hydroxy-N-(4-methyl-2-nitrophenyl)-3-nitrobenzamide	255922	"2-hydroxy-N-(4-methyl-2-nitrophenyl)-3-nitrobenzamide; NSC82025; CHEMBL512058; 73454-90-7; NCIMech_000054; Benzamide, 2-hydroxy-N-(4-methyl-2-nitrophenyl)-3-nitro-; DTXSID10292353; 2',3-Dinitro-p-salicylotoluidide; BDBM50274870; CCG-35328; NSC-82025; AKOS025296117; NCI60_041799"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82025	.	.	.	.	317.25	C14H11N3O6	141	474	3.2	23	2	6	2	"InChI=1S/C14H11N3O6/c1-8-5-6-10(12(7-8)17(22)23)15-14(19)9-3-2-4-11(13(9)18)16(20)21/h2-7,18H,1H3,(H,15,19)"	CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O)[N+](=O)[O-]	ILZBTXJTJLPKLA-UHFFFAOYSA-N
DG51534	"N-(2,3-dimethylphenyl)-2-hydroxy-3-nitro-benzamide"	255923	"MLS002701922; CHEMBL458112; 73454-96-3; NSC82028; cid_255923; SCHEMBL7161715; DTXSID70292354; BDBM50275143; NSC-82028; NCI60_041800; SMR001565506; Benzamide,3-dimethylphenyl)-2-hydroxy-3-nitro-; N-(2,3-dimethylphenyl)-2-hydroxy-3-nitro-benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82028	.	.	.	.	286.28	C15H14N2O4	95.2	396	3.5	21	2	4	2	"InChI=1S/C15H14N2O4/c1-9-5-3-7-12(10(9)2)16-15(19)11-6-4-8-13(14(11)18)17(20)21/h3-8,18H,1-2H3,(H,16,19)"	CC1=C(C(=CC=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O)C	GCJQONISBVKGOY-UHFFFAOYSA-N
DG51535	Ethyl 4-[bis(2-{[(4-methylphenyl)sulfonyl]oxy}ethyl)amino]benzoate	256046	15314-34-8; NSC82274; ethyl 4-[bis(2-{[(4-methylphenyl)sulfonyl]oxy}ethyl)amino]benzoate; CHEMBL1999275; DTXSID20292400; NSC-82274; ZINC73417853; NCI60_041810	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82274	.	.	.	.	561.7	C27H31NO8S2	133	861	5	38	0	9	14	"InChI=1S/C27H31NO8S2/c1-4-34-27(29)23-9-11-24(12-10-23)28(17-19-35-37(30,31)25-13-5-21(2)6-14-25)18-20-36-38(32,33)26-15-7-22(3)8-16-26/h5-16H,4,17-20H2,1-3H3"	CCOC(=O)C1=CC=C(C=C1)N(CCOS(=O)(=O)C2=CC=C(C=C2)C)CCOS(=O)(=O)C3=CC=C(C=C3)C	LFMCXGOXPYSVNK-UHFFFAOYSA-N
DG51536	NSC82802	256248	"(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol; NSC82802; NSC-82802; CHEMBL1969730; ZINC4877271; NCI60_041815"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82802	.	.	.	.	410.5	C23H33F3N2O	48.9	642	6.2	29	2	5	1	"InChI=1S/C23H33F3N2O/c1-21-9-7-14(29)11-13(21)3-4-15-16-5-6-18(22(16,2)10-8-17(15)21)19-12-20(28-27-19)23(24,25)26/h12-18,29H,3-11H2,1-2H3,(H,27,28)/t13-,14-,15-,16-,17-,18+,21-,22-/m0/s1"	C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C5=CC(=NN5)C(F)(F)F)C)O	VDGOOKRFIJJCSX-FNNUVKTMSA-N
DG51537	NSC82803	256249	"[(3S,8S,9S,10R,13S,14S,17S)-17-[1-acetyl-5-(trifluoromethyl)pyrazol-3-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; NSC82803; NSC-82803; CHEMBL1983017; ZINC4897129; NCI60_041816; (3S,9R,10S,13R)-17-(1-acetyl-5-(trifluoro methyl)-1H-pyrazol-3-yl)-10,13-dimethyl-2,3, 4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro 1H-cyclopenta[a]phenanthren-3-yl-acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82803	.	.	.	.	492.6	C27H35F3N2O3	61.2	920	5.8	35	0	7	3	"InChI=1S/C27H35F3N2O3/c1-15(33)32-24(27(28,29)30)14-23(31-32)22-8-7-20-19-6-5-17-13-18(35-16(2)34)9-11-25(17,3)21(19)10-12-26(20,22)4/h5,14,18-22H,6-13H2,1-4H3/t18-,19-,20-,21-,22+,25-,26-/m0/s1"	CC(=O)N1C(=CC(=N1)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C)C(F)(F)F	BXVQIEJJUANJMC-MKPDMXAPSA-N
DG51538	"1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone"	256296	"NSC83014; 22703-72-6; 1,1,1-trichloro-2-hydroxy-6-methyl-4-heptanone; NSC-83014; SCHEMBL7117942; CHEMBL1985065; DTXSID80292466; NCI60_041819"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83014	.	.	.	.	247.5	C8H13Cl3O2	37.3	175	2.4	13	1	2	4	"InChI=1S/C8H13Cl3O2/c1-5(2)3-6(12)4-7(13)8(9,10)11/h5,7,13H,3-4H2,1-2H3"	CC(C)CC(=O)CC(C(Cl)(Cl)Cl)O	LXHWHFYGBOTFKX-UHFFFAOYSA-N
DG51539	N-(2-Chloroethyl)-N'-(3-pyridinyl)urea	256330	"13908-58-2; N-(2-Chloroethyl)-N'-(3-pyridinyl)urea; 1-(2-chloroethyl)-3-pyridin-3-ylurea; 3-(2-chloroethyl)-1-(pyridin-3-yl)urea; Urea, N-(2-chloroethyl)-N'-3-pyridinyl-; 1-(2-Chloroethyl)-3-(pyridin-3-yl)urea; NSC83110; Urea,N-(2-chloroethyl)-N'-3-pyridinyl-; NCIOpen2_001084; SCHEMBL3787099; CHEMBL2006596; DTXSID60930314; MFCD08689730; NSC-83110; ZINC12351844; AKOS005072738; FA-0861; N-(2-Chloroethyl)-N'-pyridin-3-ylurea; N-(2-chloroethyl)-N'-(3-pyridyl) urea; NCI60_041822; 1-(2-Chloro-ethyl)-3-pyridin-3-yl-urea; DB-126478; FT-0680993; J-502985; N'-(2-Chloroethyl)-N-pyridin-3-ylcarbamimidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83110	.	.	.	.	199.64	C8H10ClN3O	54	166	0.8	13	2	2	3	"InChI=1S/C8H10ClN3O/c9-3-5-11-8(13)12-7-2-1-4-10-6-7/h1-2,4,6H,3,5H2,(H2,11,12,13)"	C1=CC(=CN=C1)NC(=O)NCCCl	GHKZUTAGOUFZGD-UHFFFAOYSA-N
DG51540	Tritylcysteine	256411	"H-Cys(Trt)-OH; Tritylcysteine; Tritylthioalanine; STLC; 25840-82-8; NSC83265; 2-amino-3-tritylsulfanylpropanoic acid; MLS002701924; L-Cysteine, S-(triphenylmethyl)-; 3-Tritylthio-L-alanine; (2S)-2-azaniumyl-3-tritylsulfanylpropanoate; L-Alanine, 3-(tritylthio)-; S-trityl cysteine; 25683-09-4; 2-Amino-3-[Tri(Phenyl)Methylsulfanyl]Propanoic Acid; D-Cysteine, S-(triphenylmethyl)-; MFCD00236948; NSC-83265; Neuro_000036; NCIOpen2_009275; SCHEMBL768202; CHEMBL1722808; CHEBI:110183; HMS3268P17; DL-Cysteine, S-(triphenylmethyl)-; NSC124663; NSC124676; NSC321080; AKOS025116935; MCULE-5776259142; NSC-124663; NSC-124676; NSC-321080; 2-amino-3-tritylsulfanyl-propanoic acid; DS-14666; NCI60_041831; SMR001565508; SY030411; SY066589; DB-017859; (2R)-2-amino-3-tritylsulfanylpropanoic acid; FT-0634495; FT-0686503; 2-amino-3-[(triphenylmethyl)thio]propanoic acid; 2-amino-3-[(triphenylmethyl)sulfanyl]propanoic acid; BRD-A81392774-001-01-2; Q27189564"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83265	.	.	.	.	363.5	C22H21NO2S	88.6	392	2	26	2	4	7	"InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)"	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N	DLMYFMLKORXJPO-UHFFFAOYSA-N
DG51541	Agecorynin C	256420	"Agecorynin C; 70460-31-0; 5,6,7,8-Tetramethoxy-2-(2,4,5-trimethoxyphenyl)-4H-chromen-4-one; UNII-Q44S2K78D4; CHEBI:79466; Q44S2K78D4; 2-(2,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; NSC83279; NSC-83279; 5,6,7,8-tetramethoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one; NSC 83279; CHEMBL521296; DTXSID10220732; ZINC1730690; LMPK12111503; NCI60_041832; 2',4',5,5',6,7,8-heptamethoxyflavone; Q27148537; 4H-1-Benzopyran-4-one,6,7,8-tetramethoxy-2-(2,4,5-trimethoxyphenyl)-; 5,6,7,8-Tetramethoxy-2-(2,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83279	.	.	.	.	432.4	C22H24O9	90.9	639	3	31	0	9	8	"InChI=1S/C22H24O9/c1-24-13-10-16(26-3)15(25-2)8-11(13)14-9-12(23)17-18(27-4)20(28-5)22(30-7)21(29-6)19(17)31-14/h8-10H,1-7H3"	COC1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC	GQZBZQRNQGILGI-UHFFFAOYSA-N
DG51542	"2-(4-Isopropoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one"	256422	"2-(4-Isopropoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one; NSC83281; 70460-26-3; UNII-217WT1F3WE; 217WT1F3WE; NSC-83281; NSC 83281; CHEMBL74706; DTXSID20220728; NCI60_041833; 2-(4-isopropoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one; 4H-1-Benzopyran-4-one,6,7,8-tetramethoxy-2-[4-(1-methyl ethoxy)phenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83281	.	.	.	.	400.4	C22H24O7	72.4	582	3.8	29	0	7	7	"InChI=1S/C22H24O7/c1-12(2)28-14-9-7-13(8-10-14)16-11-15(23)17-18(24-3)20(25-4)22(27-6)21(26-5)19(17)29-16/h7-12H,1-6H3"	CC(C)OC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC	RTUSIIWBOUVOLS-UHFFFAOYSA-N
DG51543	"1-(4-Chlorophenyl)-5-methyl-4,6-dihydro-3h-pyrido[4,3-b]carbazole"	256427	"4241-42-3; 1-(4-chlorophenyl)-5-methyl-4,6-dihydro-3h-pyrido[4,3-b]carbazole; NSC83292; Neuro_000037; NCIOpen2_009144; CHEMBL2003507; DTXSID40292503; ZINC1730697; NSC-83292; NCI60_041834; 6H-Pyrido[4, 1-(p-chlorophenyl)-3,4-dihydro-5-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83292	.	.	.	.	344.8	C22H17ClN2	28.2	524	5.8	25	1	1	1	"InChI=1S/C22H17ClN2/c1-13-16-10-11-24-22(14-6-8-15(23)9-7-14)18(16)12-19-17-4-2-3-5-20(17)25-21(13)19/h2-9,12,25H,10-11H2,1H3"	CC1=C2C(=CC3=C1CCN=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5N2	DRLPKPSUSZYUDY-UHFFFAOYSA-N
DG51544	ethyl N-fluoranthen-3-ylcarbamate	256431	MLS002694150; NSC83300; NCIOpen2_004551; CHEMBL1704210; SCHEMBL11659539; HMS3085E22; ZINC1730701; NSC-83300; SMR001560081	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83300	.	.	.	.	289.3	C19H15NO2	38.3	424	4.8	22	1	2	3	"InChI=1S/C19H15NO2/c1-2-22-19(21)20-17-11-10-15-13-7-4-3-6-12(13)14-8-5-9-16(17)18(14)15/h3-11H,2H2,1H3,(H,20,21)"	CCOC(=O)NC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C43	GJAJDMJVIYHOBG-UHFFFAOYSA-N
DG51545	"Phenol, 3,5-dichloro-4-[(4-nitrophenyl)azo]-"	256444	"MLS000737113; SMR000528377; Phenol, 3,5-dichloro-4-[(4-nitrophenyl)azo]-; 88210-37-1; NSC83318; NCIOpen2_009197; SCHEMBL2681652; CHEMBL1526174; BDBM66064; cid_5357652; DTXSID40418281; HMS2885K24; NSC-83318; ZINC18193841; ZINC18193844; 3,5-dichloro-4-[(4-nitrophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one; Phenol,5-dichloro-4-[(4-nitrophenyl)azo]-; 3,5-dichloro-4-[(4-nitrophenyl)hydrazono]cyclohexa-2,5-dien-1-one; 3,5-dichloro-4-[(4-nitrophenyl)hydrazinylidene]-1-cyclohexa-2,5-dienone; 3,5-bis(chloranyl)-4-[(4-nitrophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83318	.	.	.	.	312.1	C12H7Cl2N3O3	90.8	357	4.4	20	1	5	2	"InChI=1S/C12H7Cl2N3O3/c13-10-5-9(18)6-11(14)12(10)16-15-7-1-3-8(4-2-7)17(19)20/h1-6,18H"	C1=CC(=CC=C1N=NC2=C(C=C(C=C2Cl)O)Cl)[N+](=O)[O-]	ZTXWNIBRQUVRQR-UHFFFAOYSA-N
DG51546	2-Fluoren-9-ylidenemethyl-pyridine	256447	"MLS002694155; 2871-27-4; SMR000723185; 2-Fluoren-9-ylidenemethyl-pyridine; 2-(fluoren-9-ylidenemethyl)pyridine; NSC83321; pyridylmethylidenefluorene; NCIOpen2_004673; cid_256447; CHEMBL1711563; BDBM93921; DTXSID70292511; HMS3085K24; 2-(9-fluorenylidenemethyl)pyridine; ZINC4115659; NSC-83321; STK756818; Fluorene, 9-(2-pyridinyl)methylene-; AKOS000635424; 2-(9H-fluoren-9-ylidenmethyl)pyridine; MCULE-2054625030; 2-(9H-Fluoren-9-ylidenemethyl)pyridine; 2-(9H-Fluoren-9-ylidenemethyl)pyridine #; EU-0018224; SR-01000517724; SR-01000517724-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83321	.	.	.	.	255.3	C19H13N	12.9	348	4.1	20	0	1	1	InChI=1S/C19H13N/c1-3-10-17-15(8-1)16-9-2-4-11-18(16)19(17)13-14-7-5-6-12-20-14/h1-13H	C1=CC=C2C(=C1)C3=CC=CC=C3C2=CC4=CC=CC=N4	WKMNILFJGKLWSI-UHFFFAOYSA-N
DG51547	1-{7-[Bis(2-chloroethyl)amino]-9h-fluoren-2-yl}-3-propylurea	256452	6662-94-8; 1-{7-[bis(2-chloroethyl)amino]-9h-fluoren-2-yl}-3-propylurea; NSC83327; CHEMBL1991781; DTXSID90292513; ZINC1730843; NSC-83327	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83327	.	.	.	.	406.3	C21H25Cl2N3O	44.4	472	4.8	27	2	2	8	"InChI=1S/C21H25Cl2N3O/c1-2-9-24-21(27)25-17-3-5-19-15(13-17)12-16-14-18(4-6-20(16)19)26(10-7-22)11-8-23/h3-6,13-14H,2,7-12H2,1H3,(H2,24,25,27)"	CCCNC(=O)NC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)N(CCCl)CCCl	GLJZANKYEVWKEB-UHFFFAOYSA-N
DG51548	"1,1-dimethyl-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea"	256526	"TCMDC-124262; 6452-08-0; NSC83459; CHEMBL546849; SCHEMBL23483677; DTXSID00418282; ZINC5599649; NSC-83459; STK370077; AKOS005445315; MCULE-4903303130; Indole-2, 3-(4,4-dimethyl-3-thiosemicarbazone); (3Z)-1H-Indole-2,3-dione 3-(N,N-dimethylthiosemicarbazone); 1,1-dimethyl-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea; (z)-N,N-dimethyl-2-(2-oxoindolin-3-ylidene)hydrazinecarbothioamide; (2Z)-N,N-dimethyl-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83459	.	.	.	.	248.31	C11H12N4OS	96.1	321	2.6	17	2	3	1	"InChI=1S/C11H12N4OS/c1-15(2)11(17)14-13-9-7-5-3-4-6-8(7)12-10(9)16/h3-6,12,16H,1-2H3"	CN(C)C(=S)N=NC1=C(NC2=CC=CC=C21)O	ZQNRZEOPQMUIBY-UHFFFAOYSA-N
DG51549	"1,3-Benzodioxol-5-yl-[4-(3-chlorophenyl)piperazin-1-yl]methanethione"	256556	MLS002694516; NSC83492; NCIOpen2_008992; CHEMBL1733868; HMS3085N06; ZINC1730964; NSC-83492; AKOS000348956; MCULE-6177006339; SMR001560442	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83492	.	.	.	.	360.9	C18H17ClN2O2S	57	458	4	24	0	4	2	"InChI=1S/C18H17ClN2O2S/c19-14-2-1-3-15(11-14)20-6-8-21(9-7-20)18(24)13-4-5-16-17(10-13)23-12-22-16/h1-5,10-11H,6-9,12H2"	C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)C3=CC4=C(C=C3)OCO4	AGCCYFQBWLFQII-UHFFFAOYSA-N
DG51550	"(3,4-Dimethoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanethione"	256566	NSC83502; NCIOpen2_009074; ZINC1730973; NSC-83502	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83502	.	.	.	.	356.5	C20H24N2O2S	57	439	3.9	25	0	4	4	"InChI=1S/C20H24N2O2S/c1-15-5-4-6-17(13-15)21-9-11-22(12-10-21)20(25)16-7-8-18(23-2)19(14-16)24-3/h4-8,13-14H,9-12H2,1-3H3"	CC1=CC(=CC=C1)N2CCN(CC2)C(=S)C3=CC(=C(C=C3)OC)OC	CKONIXRQPXPCTM-UHFFFAOYSA-N
DG51551	(4-Benzoyl-3-hydroxyphenyl) 2-ethylhexanoate	256608	NSC83606; CHEMBL1979901; NSC-83606; NCI60_041841	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83606	.	.	.	.	340.4	C21H24O4	63.6	428	6.1	25	1	4	9	"InChI=1S/C21H24O4/c1-3-5-9-15(4-2)21(24)25-17-12-13-18(19(22)14-17)20(23)16-10-7-6-8-11-16/h6-8,10-15,22H,3-5,9H2,1-2H3"	CCCCC(CC)C(=O)OC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O	ZCVNWLRGTCLNIG-UHFFFAOYSA-N
DG51552	"2-Pyridin-3-yl-2,3-dihydro-1H-perimidine"	256661	"2-Pyridin-3-yl-2,3-dihydro-1H-perimidine; MLS000737117; 6584-41-4; SMR000528381; NSC83715; NCIOpen2_004556; Oprea1_433990; Oprea1_652084; MLS001164766; cid_256661; CHEMBL1322453; BDBM50641; ZINC28671; DTXSID90292573; HMS2851O20; NSC-83715; STL361983; AKOS000545846; MCULE-4432103886; 2-(3-pyridyl)-2,3-dihydro-1H-perimidine; 2-(3-pyridinyl)-2,3-dihydro-1H-perimidine; 2-(pyridin-3-yl)-2,3-dihydro-1H-perimidine; SR-01000438970; SR-01000438970-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83715	.	.	.	.	247.29	C16H13N3	37	299	3.5	19	2	3	1	"InChI=1S/C16H13N3/c1-4-11-5-2-8-14-15(11)13(7-1)18-16(19-14)12-6-3-9-17-10-12/h1-10,16,18-19H"	C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CN=CC=C4	ZUOLBTXPELTJQQ-UHFFFAOYSA-N
DG51553	3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde	256729	3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde; CHEBI:79524; NSC84033; ZINC4897423; NSC-84033; 65065-57-8; 3beta-Acetoxy-5alpha-androsta-16-ene-16-carbaldehyde; Q27148619	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84033	.	.	.	.	344.5	C22H32O3	43.4	608	5.1	25	0	3	3	"InChI=1S/C22H32O3/c1-14(24)25-17-6-9-22(3)16(11-17)4-5-18-19(22)7-8-21(2)12-15(13-23)10-20(18)21/h12-13,16-20H,4-11H2,1-3H3/t16-,17-,18+,19-,20-,21+,22-/m0/s1"	CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(=C4)C=O)C)C	IZJWIBVOSGOTPV-MZLYOWLHSA-N
DG51554	7-[(2-Bromoanilino)-phenylmethyl]quinolin-8-ol	256750	NSC84086; NSC-84086	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84086	.	.	.	.	405.3	C22H17BrN2O	45.2	442	5.7	26	2	3	4	"InChI=1S/C22H17BrN2O/c23-18-10-4-5-11-19(18)25-20(15-7-2-1-3-8-15)17-13-12-16-9-6-14-24-21(16)22(17)26/h1-14,20,25-26H"	C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=C4Br	ZTTCRWKPIONBEL-UHFFFAOYSA-N
DG51555	7-[(Naphthalen-1-ylamino)-phenylmethyl]quinolin-8-ol	256754	NSC84092; NCIOpen2_009321; NSC-84092	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84092	.	.	.	.	376.4	C26H20N2O	45.2	519	6.3	29	2	3	4	"InChI=1S/C26H20N2O/c29-26-22(16-15-20-12-7-17-27-25(20)26)24(19-9-2-1-3-10-19)28-23-14-6-11-18-8-4-5-13-21(18)23/h1-17,24,28-29H"	C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC5=CC=CC=C54	YDLXQKOBCIJTTR-UHFFFAOYSA-N
DG51556	7-(Phenyl(4-toluidino)methyl)-8-quinolinol	256755	NSC84093; CHEMBL2003928; NSC-84093; 7-(phenyl(4-toluidino)methyl)-8-quinolinol; Oprea1_149709; CBDivE_014194; SCHEMBL11955279; BDBM50500095; STL577318; AKOS003010695; MCULE-6315033200; NCI60_041846; 7-(phenyl(p-tolylamino)methyl)quinolin-8-ol; 7-{[(4-methylphenyl)amino](phenyl)methyl}quinolin-8-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84093	.	.	.	.	340.4	C23H20N2O	45.2	428	5.4	26	2	3	4	"InChI=1S/C23H20N2O/c1-16-9-12-19(13-10-16)25-21(17-6-3-2-4-7-17)20-14-11-18-8-5-15-24-22(18)23(20)26/h2-15,21,25-26H,1H3"	CC1=CC=C(C=C1)NC(C2=CC=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O	HUMXPASVXGPBQJ-UHFFFAOYSA-N
DG51557	7-[Phenyl(pyridin-2-ylamino)methyl]quinolin-8-ol	256756	NSC84094; 304685-32-3; CHEMBL1688558; 7-[phenyl(pyridin-2-ylamino)methyl]quinolin-8-ol; 7-{phenyl[(pyridin-2-yl)amino]methyl}quinolin-8-ol; NSC-84094; 7-(phenyl(pyridin-2-ylamino)methyl)quinolin-8-ol; Enamine_000429; Oprea1_081069; Oprea1_364130; 7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol; SCHEMBL5090192; HMS1395D11; BDBM50339142; STL487020; AKOS000808675; AKOS016195443; MCULE-1762993935; NCGC00187803-01; NCGC00187803-02; NCI60_041847; 7-(phenyl(2-pyridinylamino)methyl)-8-quinolinol; rac-7-(phenyl(pyridin-2-ylamino)methyl)quinolin-8-ol; Z56773904; F0318-0085	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84094	.	.	.	.	327.4	C21H17N3O	58	412	4.3	25	2	4	4	"InChI=1S/C21H17N3O/c25-21-17(12-11-16-9-6-14-23-20(16)21)19(15-7-2-1-3-8-15)24-18-10-4-5-13-22-18/h1-14,19,25H,(H,22,24)"	C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=N4	WHPVVFZPXKODBB-UHFFFAOYSA-N
DG51558	7-[Phenyl-(quinolin-8-ylamino)methyl]quinolin-8-ol	256758	"NSC-84096; 908813-78-5; 7-[phenyl-(quinolin-8-ylamino)methyl]quinolin-8-ol; NSC84096; CHEMBL1688557; 7-(Phenyl(8-quinolinylamino)methyl)-8-quinolinol; SCHEMBL9962877; BDBM50339141; NCGC00187799-01; NCI60_041848; 7-[phenyl-(8-quinolylamino)methyl]quinolin-8-ol; 8-Quinolinol, 7-[.alpha.-(8-quinolylamino)benzyl]-; 8-Quinolinol, {7-[.alpha.-(8-quinolylamino)benzyl]-}; rac-7-(phenyl(quinolin-8-ylamino)methyl)quinolin-8-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84096	.	.	.	.	377.4	C25H19N3O	58	522	5.3	29	2	4	4	"InChI=1S/C25H19N3O/c29-25-20(14-13-19-11-6-16-27-24(19)25)22(17-7-2-1-3-8-17)28-21-12-4-9-18-10-5-15-26-23(18)21/h1-16,22,28-29H"	C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC5=C4N=CC=C5	RBSPENDGIMQZGB-UHFFFAOYSA-N
DG51559	"2-Amino-4-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidin-7-ol"	257143	"NSC85068; 92503-66-7; 2-Amino-4-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidin-7-ol; 2-Amino-4-methyl-6,7-dihydro-5H-thiopyrano(2,3-d)pyrimidin-7-ol; NSC 85068; NCIOpen2_001212; NSC-85068"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85068	.	.	.	.	197.26	C8H11N3OS	97.3	192	1	13	2	5	0	"InChI=1S/C8H11N3OS/c1-4-5-2-3-6(12)13-7(5)11-8(9)10-4/h6,12H,2-3H2,1H3,(H2,9,10,11)"	CC1=C2CCC(SC2=NC(=N1)N)O	PIHUGIWDQMUROZ-UHFFFAOYSA-N
DG51560	Methyl 3-(5-(bis(2-chloroethyl)amino)-1H-indol-3-yl)propanoate	257269	93017-66-4; Methyl 3-(5-(bis(2-chloroethyl)amino)-1H-indol-3-yl)propanoate; Methyl 3-{5-[bis(2-chloroethyl)amino]-1H-indol-3-yl}propanoate; NSC85230; NCIOpen2_009413; DTXSID60292742; ZINC1752344; NSC-85230	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85230	.	.	.	.	343.2	C16H20Cl2N2O2	45.3	351	2.6	22	1	3	9	"InChI=1S/C16H20Cl2N2O2/c1-22-16(21)5-2-12-11-19-15-4-3-13(10-14(12)15)20(8-6-17)9-7-18/h3-4,10-11,19H,2,5-9H2,1H3"	COC(=O)CCC1=CNC2=C1C=C(C=C2)N(CCCl)CCCl	UJMUCMMVMLXILD-UHFFFAOYSA-N
DG51561	"6,9a-Dimethyl-3-methylene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-dione"	257272	"MLS002701926; NSC85235; SMR001565510; 10.Alpha.H-Ambrosa-2,11(13)-dien-12-oic acid, 6.beta.-hydroxy-4-oxo-, .gamma.-lactone; 6,9a-dimethyl-3-methylene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-dione; cid_257272; SCHEMBL3463664; CHEMBL1730820; BDBM97029; NSC-85235; 6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-dione; NCI60_041869; 10.alpha.H-Ambrosa-2, 6.beta.-hydroxy-4-oxo-, .gamma.-lactone; 6,9a-Dimethyl-3-methylene-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dione; 6,9a-Dimethyl-3-methylene-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dione #; 6,9a-dimethyl-3-methylene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-quinone; {Azuleno[4,5-b]furan-2,9-dione,} 3,3a,4,5,6,6a,9a, 9b-octahydro-6,9a-dimethyl-3-methylene-, {[3aS-(3a.alpha.,6.beta.,} 6a.alpha.,9a.beta.,9b.alpha.)]-; Azuleno[4,5-b]furan-2,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6,9a-dimethyl-3-methylene-, [3as-(3a.alpha.,6.beta.,6a.alpha.,9a.beta.,9b.alpha.)]-; Azuleno[4,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6,9a-dimethyl-3-methylene-, [3aS-(3a.alpha.,6.beta.,6a.alpha.,9a.beta.,9b.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85235	.	.	.	.	246.3	C15H18O3	43.4	476	2.6	18	0	3	0	"InChI=1S/C15H18O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h6-8,10-11,13H,2,4-5H2,1,3H3"	CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C	IFXGCKRDLITNAU-UHFFFAOYSA-N
DG51562	Coronopilin	257278	"Coronopilin; Coronopolin; 2571-81-5; CHEBI:3888; (3aS,6S,6aR,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione; NSC85242; (-)-coronopilin; MLS001164194; CHEMBL248564; SCHEMBL8422737; HMS2875K08; ZINC4026171; NSC-85242; AKOS015969697; NCGC00246200-01; NCI60_041874; SMR000539537; C09381; Q27106230; Azuleno[4,9-dione, decahydro-6a-hydroxy-6,9a-dimethyl-3-methylene-, [3aS-(3a.alpha.,6.beta.,6a.alpha.,9a.beta.,9b.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85242	.	.	.	.	264.32	C15H20O4	63.6	483	1.3	19	1	4	0	"InChI=1S/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h8,10,12,18H,2,4-7H2,1,3H3/t8-,10-,12+,14-,15+/m0/s1"	C[C@H]1CC[C@@H]2[C@H]([C@]3([C@]1(CCC3=O)O)C)OC(=O)C2=C	GEUJJEYGSRWXPC-JISBIHODSA-N
DG51563	"5-ethyl-5-(2-(ethylamino)ethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione"	257295	"NSC85262; NSC-85262; NCIStruc1_000640; NCIStruc2_000530; CHEMBL1742167; NCI85262; ZINC1752377; CCG-38329; NCGC00013889; NCGC00013889-02; NCGC00096999-01; NCI60_041877; 5-ethyl-5-(2-(ethylamino)ethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85262	.	.	.	.	227.26	C10H17N3O3	87.3	294	0.1	16	3	4	5	"InChI=1S/C10H17N3O3/c1-3-10(5-6-11-4-2)7(14)12-9(16)13-8(10)15/h11H,3-6H2,1-2H3,(H2,12,13,14,15,16)"	CCC1(C(=O)NC(=O)NC1=O)CCNCC	HSZVKXDGGILCNR-UHFFFAOYSA-N
DG51564	3-Methyl-4-cinnolinol	257352	3-Methyl-4-cinnolinol; NSC85323; 7317-82-0; UNII-V1G7II8M3G; V1G7II8M3G; 3-METHYLCINNOLIN-4-OL; MLS002694617; NSC-85323; 3-methylcinnolin-4(1h)-one; NSC 85323; NCIStruc1_000179; NCIStruc2_000177; SCHEMBL6480580; CHEMBL1741880; SCHEMBL22124938; DTXSID90223423; HMS3086K09; NCI85323; ZINC8582183; CCG-36319; NCGC00013890; NCGC00013890-02; NCGC00097000-01; NCI60_041879; SMR001560542	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85323	.	.	.	.	160.17	C9H8N2O	41.5	235	1.3	12	1	3	0	"InChI=1S/C9H8N2O/c1-6-9(12)7-4-2-3-5-8(7)11-10-6/h2-5H,1H3,(H,11,12)"	CC1=NNC2=CC=CC=C2C1=O	YVRPDIPJOFBYAL-UHFFFAOYSA-N
DG51565	"2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	257434	"2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol; 16797-57-2; NCIOpen2_009336; CHEBI:79680; DTXSID20292768; NSC85450; ZINC1760391; NSC-85450; Q27148808; 2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(pyrrolizinomethyl)-2H-1-benzopyran-7-ol; 4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-7-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85450	.	.	.	.	393.5	C25H31NO3	41.9	587	4.3	29	1	4	5	"InChI=1S/C25H31NO3/c1-5-19-20-12-13-22(27)21(16-26-14-6-7-15-26)24(20)29-25(2,3)23(19)17-8-10-18(28-4)11-9-17/h8-13,27H,5-7,14-16H2,1-4H3"	CCC1=C(C(OC2=C1C=CC(=C2CN3CCCC3)O)(C)C)C4=CC=C(C=C4)OC	SBRIHEHOOSDSDU-UHFFFAOYSA-N
DG51566	"2,4-Dichloro-6-[(3-chloro-4-hydroxy-phenyl)methyl]phenol"	257459	"NSC85485; NSC-85485; NCIStruc1_001322; NCIStruc2_001416; CHEMBL1337781; 2,4-dichloro-6-[(3-chloro-4-hydroxy-phenyl)methyl]phenol; NCI85485; ZINC1760437; CCG-36530; NCGC00013898; NCGC00013898-02; NCGC00097007-01; NCI60_041888"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85485	.	.	.	.	303.6	C13H9Cl3O2	40.5	277	5	18	2	2	2	"InChI=1S/C13H9Cl3O2/c14-9-5-8(13(18)11(16)6-9)3-7-1-2-12(17)10(15)4-7/h1-2,4-6,17-18H,3H2"	C1=CC(=C(C=C1CC2=C(C(=CC(=C2)Cl)Cl)O)Cl)O	SSGFIWUNXJVUJB-UHFFFAOYSA-N
DG51567	"Formaldehyde;2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one"	257608	NSC85775; NSC-85775	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85775	.	.	.	.	194.23	C11H14O3	54.4	282	.	14	1	3	1	"InChI=1S/C10H12O2.CH2O/c1-7(2)8-4-3-5-9(11)10(12)6-8;1-2/h3-7H,1-2H3,(H,11,12);1H2"	CC(C)C1=CC(=O)C(=CC=C1)O.C=O	OEDWYFSBEMTJLH-UHFFFAOYSA-N
DG51568	"N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-4-methoxybenzamide"	257612	NSC85779; CHEMBL1978917; ZINC1760627; NSC-85779	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85779	.	.	.	.	271.27	C15H13NO4	75.6	482	2	20	2	4	3	"InChI=1S/C15H13NO4/c1-20-12-6-2-10(3-7-12)15(19)16-11-4-8-13(17)14(18)9-5-11/h2-9H,1H3,(H,16,19)(H,17,18)"	COC1=CC=C(C=C1)C(=O)NC2=CC=C(C(=O)C=C2)O	DPALTHDQYPLENE-UHFFFAOYSA-N
DG51569	"5-methyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole"	257702	NSC86100; MLS002694669; 4238-67-9; NCIMech_000403; NCIOpen2_004955; CHEMBL1863836; DTXSID90292856; HMS3085L14; ZINC1760791; CCG-35530; NSC-86100; NCI60_041904; SMR001560594	.	.	Investigative Drug(s)	Investigative	Small molecular drug	86100	.	.	.	.	234.29	C16H14N2	28.2	351	3.2	18	1	1	0	"InChI=1S/C16H14N2/c1-10-12-6-7-17-9-11(12)8-14-13-4-2-3-5-15(13)18-16(10)14/h2-5,8-9,18H,6-7H2,1H3"	CC1=C2CCN=CC2=CC3=C1NC4=CC=CC=C43	HEIREDMIGONFIR-UHFFFAOYSA-N
DG51570	"1-(1,3-Benzodioxol-5-yl(1-piperazinyl)methyl)piperazine"	258237	"NSC87015; NSC-87015; NCIStruc1_001440; NCIStruc2_001376; CHEMBL1742313; SCHEMBL15329365; 1-(1,3-benzodioxol-5-yl(1-piperazinyl)methyl)piperazine; NCI87015; CCG-36853; NCGC00013911; ZINC19319018; 1,3]dioxol-5-ylmethylene)dipiperazine; NCGC00013911-02; NCGC00097020-01; NCI60_041926"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87015	.	.	.	.	304.39	C16H24N4O2	49	340	0.6	22	2	6	3	"InChI=1S/C16H24N4O2/c1-2-14-15(22-12-21-14)11-13(1)16(19-7-3-17-4-8-19)20-9-5-18-6-10-20/h1-2,11,16-18H,3-10,12H2"	C1CN(CCN1)C(C2=CC3=C(C=C2)OCO3)N4CCNCC4	ASZPIRKUABZLDL-UHFFFAOYSA-N
DG51571	(2-Methoxyquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone	258251	MLS002694734; NSC87034; CHEMBL1725833; HMS3087E17; ZINC1561595; NSC-87034; SMR001560656	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87034	.	.	.	.	347.4	C21H21N3O2	45.7	472	3.5	26	0	4	3	"InChI=1S/C21H21N3O2/c1-26-20-15-18(17-9-5-6-10-19(17)22-20)21(25)24-13-11-23(12-14-24)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3"	COC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)C4=CC=CC=C4	KUMVNHAVDWQQBN-UHFFFAOYSA-N
DG51572	"1,3-Benzothiazol-2-yl-(3,4,5-trimethoxyphenyl)methanol"	258293	MLS000737142; NSC87084; NCIOpen2_009397; CHEMBL1349247; HMS2884N13; NSC-87084; SMR000528388	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87084	.	.	.	.	331.4	C17H17NO4S	89	372	3.1	23	1	6	5	"InChI=1S/C17H17NO4S/c1-20-12-8-10(9-13(21-2)16(12)22-3)15(19)17-18-11-6-4-5-7-14(11)23-17/h4-9,15,19H,1-3H3"	COC1=CC(=CC(=C1OC)OC)C(C2=NC3=CC=CC=C3S2)O	WOCWYIDQVMNHRI-UHFFFAOYSA-N
DG51573	Strophanthidol	258412	"Strophanthidol; 560-54-3; UNII-K1K9Y2IT7W; K1K9Y2IT7W; NSC87314; 3-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; k-Strophanthidol; EINECS 209-211-4; NSC 87314; CHEMBL1628279; SCHEMBL21578405; (3beta,5beta)-3,5,14,19-Tetrahydroxycard-20(22)-enolide; ZINC3881937; MFCD00056528; NSC-87314; AKOS030503911; NCI60_041931; 5.beta.-Card-20(22)-enolide,5,14,19-tetrahydroxy-; WLN: L E5 B666TJ AVH E1 IQ MQ OQ F- CT5O CUTJ EQ; 5-beta-CARD-20(22)-ENOLIDE, 3-beta,5,14,19-TETRAHYDROXY-; 5beta-Card-20(22)-enolide, 3beta,5,14,19-tetrahydroxy- (8CI); Card-20(22)-enolide,5,14,19-tetrahydroxy-, (3.beta.,5.beta.)-; Card-20(22)-enolide, 3,5,14,19-tetrahydroxy-, (3-beta,5-beta)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87314	.	.	.	.	406.5	C23H34O6	107	750	0.5	29	4	6	2	"InChI=1S/C23H34O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,15-18,24-25,27-28H,2-9,11-13H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)CO)O	ZNDMLUUNNNHNKC-HZXDTFASSA-N
DG51574	"3,6-Dibromophenanthrene-9,10-dione"	258450	"53348-05-3; 3,6-dibromophenanthrene-9,10-dione; 3,6-Dibromo-phenanthrenequinone; 3,6-Dibromo-9,10-phenanthrenequinone; 3,6-dibromo-phenanthrene-9,10-dione; 9,10-Phenanthrenedione, 3,6-dibromo-; 3,6-dibromophenanthrene-9,10-quinone; 3,6-DIBROMO-9,10-PHENANTHRENEDIONE; MFCD00451676; NSC87364; NCIOpen2_009470; SCHEMBL597375; DTXSID00293137; ZINC1562030; CX1145; NSC-87364; QC-648; 3,6-Dibromophenanthrene-9 10-dione; AKOS016000229; AM62657; OL10161; SB66331; AS-13792; BC004628; SY104900; CS-0080728; FT-0660279; X7250; J10327; 348D053"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87364	.	.	.	.	366	C14H6Br2O2	34.1	346	3.9	18	0	2	0	InChI=1S/C14H6Br2O2/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6H	C1=CC2=C(C=C1Br)C3=C(C=CC(=C3)Br)C(=O)C2=O	WPEJBJRFPBMVGJ-UHFFFAOYSA-N
DG51575	Solacongestidine	258526	"Solacongestidine; 984-82-7; CHEBI:69481; NSC87500; SCHEMBL8432197; CHEMBL1966977; DTXSID80913306; (3beta,5alpha,25beta)-16,28-Secosolanid-22(28)-en-3-ol; 16,28-Secosolanid-22(28)-en-3-ol, (3beta,5alpha,25beta)-; NSC 87500; NSC-87500; ZINC73313915; NCI60_041933; Q27137819; (25 )-16,28-Seco-5 -Solanid-22(28)-En-3 -Ol; 20-(5-Methyl-3,4,5,6-tetrahydropyridin-2-yl)pregnan-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87500	.	.	.	.	399.7	C27H45NO	32.6	657	6.7	29	1	2	2	"InChI=1S/C27H45NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h17-24,29H,5-16H2,1-4H3/t17-,18+,19+,20+,21+,22-,23+,24+,26+,27-/m1/s1"	C[C@@H]1CCC(=NC1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C	MSKAAWFUKWQOQS-YNAJWQGRSA-N
DG51576	"6-Methoxyquinoline-4-carbaldehyde;2,4,6-trinitrophenol"	258759	NSC88054; CHEMBL1976104; NSC-88054	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88054	.	.	.	.	416.3	C17H12N4O9	197	499	.	30	1	10	2	"InChI=1S/C11H9NO2.C6H3N3O7/c1-14-9-2-3-11-10(6-9)8(7-13)4-5-12-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-7H,1H3;1-2,10H"	COC1=CC2=C(C=CN=C2C=C1)C=O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]	XSVQKIWQJQVJHH-UHFFFAOYSA-N
DG51577	2-(((2-Hydroxyethyl)(methyl)amino)methyl)-3-pyridinol	258769	NSC88065; NSC-88065; 2-(((2-hydroxyethyl)(methyl)amino)methyl)-3-pyridinol; 2-{[(2-hydroxyethyl)(methyl)amino]methyl}-3-pyridinol; NCIStruc1_000137; NCIStruc2_000297; CHEMBL1602591; NCI88065; ZINC2022244; CCG-36240; NCGC00013919; NCGC00013919-02; NCGC00097028-01; NCI60_041948	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88065	.	.	.	.	182.22	C9H14N2O2	56.6	144	-0.3	13	2	4	4	"InChI=1S/C9H14N2O2/c1-11(5-6-12)7-8-9(13)3-2-4-10-8/h2-4,12-13H,5-7H2,1H3"	CN(CCO)CC1=C(C=CC=N1)O	UNAOAABHBPDLMI-UHFFFAOYSA-N
DG51578	"3-[(1s,2s)-2-Chlorocyclohexyl]-1-(2-chloroethyl)-1-nitrosourea"	258797	"3-[(1s,2s)-2-chlorocyclohexyl]-1-(2-chloroethyl)-1-nitrosourea; 13909-12-1; SRI 2636; 3-[(1R,2R)-2-Chlorocyclohexyl]-1-(2-chloroethyl)-1-nitrosourea; NSC-88104; Urea, 3-(trans-2-chlorocyclohexyl)-1-(2-chloroethyl)-1-nitroso-; CHEMBL2001752; NSC88104; ZINC4901025; NCI60_041949; trans-3(2-Chlorocyclohexyl)-1-(2-chloroethyl)-1-nitroso-urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88104	.	.	.	.	268.14	C9H15Cl2N3O2	61.8	253	2.7	16	1	3	3	"InChI=1S/C9H15Cl2N3O2/c10-5-6-14(13-16)9(15)12-8-4-2-1-3-7(8)11/h7-8H,1-6H2,(H,12,15)/t7-,8-/m0/s1"	C1CC[C@@H]([C@H](C1)NC(=O)N(CCCl)N=O)Cl	AVQDABCAQFMRFT-YUMQZZPRSA-N
DG51579	"2,3,6,23-Tetrahydroxyurs-12-en-28-oic acid"	258809	"Madecassic acid; 18449-41-7; NSC88135; 2,3,6,23-tetrahydroxyurs-12-en-28-oic acid; NSC-88135; CHEMBL1993179; SCHEMBL14286199; DTXSID70939838; (1S,2R,4aS,6aS,6bR,8R,9R,10R,11R,12aR,12bR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid; AKOS032948362; AS-71289; NCI60_041951; Q27140267; 8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88135	.	.	.	.	504.7	C30H48O6	118	963	4.4	36	5	6	2	"InChI=1S/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)"	CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)O)C)O)C)C2C1C)C)C(=O)O	PRAUVHZJPXOEIF-UHFFFAOYSA-N
DG51580	"5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide"	258918	"NSC88381; 5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide; 4600-17-3; NSC 88381; NCIOpen2_005232; CHEMBL2002991; NSC-88381; NCI60_041954; 5-chloro-2-phenyl-2-thioxo-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88381	.	.	.	.	280.71	C12H10ClN2PS	56.2	333	5.1	17	2	3	1	"InChI=1S/C12H10ClN2PS/c13-9-6-7-11-12(8-9)15-16(17,14-11)10-4-2-1-3-5-10/h1-8H,(H2,14,15,17)"	C1=CC=C(C=C1)P2(=S)NC3=C(N2)C=C(C=C3)Cl	BZBDLTMAECHPOY-UHFFFAOYSA-N
DG51581	"(1R,13R,15R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol"	258957	"Crinamine; Crinamin; NSC88421; CHEMBL1995397; NSC-88421; NCI60_041958; 4a.beta.,11b.alpha.-Crinan-12-ol, 1,2-didehydro-3.alpha.-methoxy-, (12S)-; Crinan-11-ol,2-didehydro-3-methoxy-, (3.alpha.,5.alpha.,11R,13.beta.,19.alpha.)-; Crinan-18-ol,2-didehydro-3-methoxy-, (3.alpha.,5.beta.,6.alpha.,17.alpha.,18R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88421	.	.	.	.	301.34	C17H19NO4	51.2	497	1.3	22	1	5	1	"InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15+,16 ,17+/m0/s1"	CO[C@@H]1C[C@@H]2[C@]3(C=C1)C(CN2CC4=CC5=C(C=C34)OCO5)O	YGPRSGKVLATIHT-DMNNGBKGSA-N
DG51582	"3,20-Dioxopregn-4-en-21-yl 4-bromobenzenesulfonate"	259210	"3,20-dioxopregn-4-en-21-yl 4-bromobenzenesulfonate; 21170-34-3; NSC88915; UNII-J6CZ92K8RU; NSC-88915; J6CZ92K8RU; CHEMBL387152; NSC-8891; Pregn-4-ene-3,20-dione, 21-[[(4-bromophenyl)sulfonyl]oxy]-; 3,20-Dioxopregn-4-en-21-yl 4-bromobenzenesulfonate; [2-[(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-bromobenzenesulfonate; Pregn-4-ene-3,20-dione, 21-(((4-bromophenyl)sulfonyl)oxy)-; SCHEMBL13856957; DTXSID40943503; ZINC4901407; BDBM50158383; [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-bromobenzenesulfonate; NCI60_041972; 11-Deoxycorticosterone, p-bromobenzenesulfonate; 170D343; 3,20-Dioxopregn-4-en-21-yl 4-bromobenzene-1-sulfonate; 21-(((4-Bromophenyl)sulfonyl)oxy)pregn-4-ene-3,20-dione; 4-Pregnen-21-ol-3,20-dione 21-(4-bromobenzenesulfonate); 4-pregnen-21-ol-3,20-dione-21-(4-bromobenzenesufonate); 2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl 4-bromobenzenesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88915	.	.	.	.	549.5	C27H33BrO5S	85.9	976	5.2	34	0	5	5	"InChI=1S/C27H33BrO5S/c1-26-13-11-19(29)15-17(26)3-8-21-22-9-10-24(27(22,2)14-12-23(21)26)25(30)16-33-34(31,32)20-6-4-18(28)5-7-20/h4-7,15,21-24H,3,8-14,16H2,1-2H3/t21-,22-,23-,24+,26-,27-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)C4=CC=C(C=C4)Br)CCC5=CC(=O)CC[C@]35C	ZQNARVKYKGBJES-YNHSGCSHSA-N
DG51583	NSC88916	259211	"(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-methyl-1,3-thiazol-4-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; NSC88916; CHEMBL4296980; ZINC4901408; NSC-88916; 10,3-thiazol-4-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88916	.	.	.	.	369.6	C23H31NOS	58.2	644	5.5	26	0	3	1	"InChI=1S/C23H31NOS/c1-14-24-21(13-26-14)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12-13,17-20H,4-11H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1"	CC1=NC(=CS1)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C	NIYPNKHDGWDAOX-ACXQXYJUSA-N
DG51584	"N-(1,3-dichloro-7-nitro-9H-fluoren-2-yl)formamide"	259241	MLS002694895; NSC88971; NCIOpen2_009613; CHEMBL1868563; HMS3092K09; ZINC1569594; NSC-88971; SMR001560810	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88971	.	.	.	.	323.1	C14H8Cl2N2O3	74.9	431	3.8	21	1	3	1	"InChI=1S/C14H8Cl2N2O3/c15-12-5-10-9-2-1-8(18(20)21)3-7(9)4-11(10)13(16)14(12)17-6-19/h1-3,5-6H,4H2,(H,17,19)"	C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=CC(=C(C(=C31)Cl)NC=O)Cl	GJFZJSMAFTXMPI-UHFFFAOYSA-N
DG51585	N-methyl-4-[(4-methylphenyl)sulfanylmethyl]aniline	259517	N-methyl-4-[(4-methylphenyl)sulfanylmethyl]aniline; 92547-69-8; NSC89488; DTXSID60293436; ZINC1575396; NSC-89488	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89488	.	.	.	.	243.4	C15H17NS	37.3	203	4.3	17	1	2	4	"InChI=1S/C15H17NS/c1-12-3-9-15(10-4-12)17-11-13-5-7-14(16-2)8-6-13/h3-10,16H,11H2,1-2H3"	CC1=CC=C(C=C1)SCC2=CC=C(C=C2)NC	FNGCRYAMOUMXPF-UHFFFAOYSA-N
DG51586	"N,4-bis[(4-chlorophenyl)sulfanylmethyl]-N-methylaniline"	259528	NSC89500; NSC-89500	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89500	.	.	.	.	420.4	C21H19Cl2NS2	53.8	388	7.6	26	0	3	7	"InChI=1S/C21H19Cl2NS2/c1-24(15-26-21-12-6-18(23)7-13-21)19-8-2-16(3-9-19)14-25-20-10-4-17(22)5-11-20/h2-13H,14-15H2,1H3"	CN(CSC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl	HMDDZKREVHHSDA-UHFFFAOYSA-N
DG51587	"1-Piperazineethanol, 4-(4-chlorophenyl)-alpha-[(4-methoxyphenoxy)methyl]-"	259580	"MLS000736884; 1-Piperazineethanol, 4-(4-chlorophenyl)-alpha-[(4- methoxyphenoxy)methyl]-; NSC89602; NCIOpen2_009888; CHEMBL1440234; HMS2884P11; NSC-89602; SMR000528409; 450-49-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89602	.	.	.	.	376.9	C20H25ClN2O3	45.2	391	3.5	26	1	5	7	"InChI=1S/C20H25ClN2O3/c1-25-19-6-8-20(9-7-19)26-15-18(24)14-22-10-12-23(13-11-22)17-4-2-16(21)3-5-17/h2-9,18,24H,10-15H2,1H3"	COC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)Cl)O	HNNUHKGIGFXJNI-UHFFFAOYSA-N
DG51588	"Sulfide,4-dinitrophenyl 2-nitro-p-tolyl"	259746	"NSC90137; NCIOpen2_009692; NSC-90137; ZINC104062406; Sulfide,4-dinitrophenyl 2-nitro-p-tolyl; Sulfide,4-dinitrophenyl-2-nitro-p-tolyl-; Benzene,4-dinitrophenyl)thio]-4-methyl-2-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90137	.	.	.	.	335.29	C13H9N3O6S	163	474	3.8	23	0	7	2	"InChI=1S/C13H9N3O6S/c1-8-2-4-12(10(6-8)15(19)20)23-13-5-3-9(14(17)18)7-11(13)16(21)22/h2-7H,1H3"	CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	PZRYEIXLMWQMAM-UHFFFAOYSA-N
DG51589	"2-(3,4-Dichlorophenyl)-5-(1-naphthyl)-1,3,4-oxadiazole"	259766	"NSC90311; MLS000736895; NSC-90311; NCIStruc1_001281; NCIStruc2_001506; CHEMBL1329648; 2-(3,4-dichlorophenyl)-5-(1-naphthyl)-1,3,4-oxadiazole; HMS2802C13; NCI90311; ZINC1580735; CCG-36509; NCGC00013942; NCGC00013942-02; NCGC00097051-01; NCI60_042000; SMR000444180"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90311	.	.	.	.	341.2	C18H10Cl2N2O	38.9	411	5.6	23	0	3	2	InChI=1S/C18H10Cl2N2O/c19-15-9-8-12(10-16(15)20)17-21-22-18(23-17)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H	C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)C4=CC(=C(C=C4)Cl)Cl	HCDVIQXPGHCUKY-UHFFFAOYSA-N
DG51590	"9H-Purine,8-diamino-9-beta-D-ribofuranosyl-"	259812	"15830-57-6; NCIOpen2_005589; SCHEMBL6675376; SCHEMBL17412455; DTXSID60935889; NSC90394; NSC-90394; NSC111701; NSC112435; AKOS015918437; NSC-111701; NSC-112435; FT-0658744; 9H-Purine,8-diamino-9-.beta.-D-ribofuranosyl-; A824234; 8-Imino-9-pentofuranosyl-8,9-dihydro-7H-purin-6-amine; 2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; 15830-62-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90394	.	.	.	.	282.26	C10H14N6O4	166	363	-1.4	20	5	9	2	"InChI=1S/C10H14N6O4/c11-7-4-8(14-2-13-7)16(10(12)15-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,15)(H2,11,13,14)"	C1=NC(=C2C(=N1)N(C(=N2)N)C3C(C(C(O3)CO)O)O)N	DVGWFQILDUEEGX-UHFFFAOYSA-N
DG51591	N-(2-ethylphenyl)-2-hydroxy-3-nitrobenzamide	259820	"CHEMBL464807; 73454-91-8; N-(2-ethylphenyl)-2-hydroxy-3-nitrobenzamide; NSC90411; Benzamide, N-(2-ethylphenyl)-2-hydroxy-3-nitro-; SCHEMBL2061039; 2'-Ethyl-3-nitrosalicylanilide; DTXSID30293529; BDBM50274868; NSC-90411; NCI60_042004"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90411	.	.	.	.	286.28	C15H14N2O4	95.2	382	3.6	21	2	4	3	"InChI=1S/C15H14N2O4/c1-2-10-6-3-4-8-12(10)16-15(19)11-7-5-9-13(14(11)18)17(20)21/h3-9,18H,2H2,1H3,(H,16,19)"	CCC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O	ZMRHTPIJGGJNLI-UHFFFAOYSA-N
DG51592	"2-(4-Methylphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole"	260000	"NSC90810; MLS002701939; 52596-89-1; NSC-90810; 2-(4-methylphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole; NCIStruc1_000645; NCIStruc2_000636; CHEMBL1405325; DTXSID90293580; NCI90810; ZINC1581022; CCG-36682; NCGC00013951; NCGC00013951-02; NCGC00097060-01; NCI60_042016; SMR001565522"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90810	.	.	.	.	286.3	C19H14N2O	38.9	366	4.7	22	0	3	2	"InChI=1S/C19H14N2O/c1-13-6-8-15(9-7-13)18-20-21-19(22-18)17-11-10-14-4-2-3-5-16(14)12-17/h2-12H,1H3"	CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC4=CC=CC=C4C=C3	QGEPNMGVLCARHP-UHFFFAOYSA-N
DG51593	"2-(2-Bromophenyl)-5-phenyl-1,3-oxazole"	260020	"37611-27-1; 2-(2-bromophenyl)-5-phenyl-1,3-oxazole; NSC90862; CHEMBL1975255; SCHEMBL14133170; DTXSID30293589; 2-(2-Bromphenyl)-5-phenyloxazol; ZINC393847; 2-(o-bromphenyl)-5-phenyl-oxazol; NSC-90862; NCI60_042021"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90862	.	.	.	.	300.15	C15H10BrNO	26	267	5.4	18	0	2	2	InChI=1S/C15H10BrNO/c16-13-9-5-4-8-12(13)15-17-10-14(18-15)11-6-2-1-3-7-11/h1-10H	C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3Br	ACHQLEXCQKFTOV-UHFFFAOYSA-N
DG51594	1-[4-(4-Chlorophenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol	260309	MLS000737719; MLS000736919; SMR000528427; NSC91397; cid_260309; CHEMBL1516308; BDBM58096; HMS2880I13; NSC-91397; NSC111210; 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol; NSC-111210; 1-[4-(4-chlorophenyl)piperazino]-3-(1-naphthoxy)propan-2-ol; 1-[4-(4-chlorophenyl)-1-piperazinyl]-3-(1-naphthalenyloxy)-2-propanol; 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-naphthalen-1-yloxy-propan-2-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	91397	.	.	.	.	396.9	C23H25ClN2O2	35.9	464	4.8	28	1	4	6	"InChI=1S/C23H25ClN2O2/c24-19-8-10-20(11-9-19)26-14-12-25(13-15-26)16-21(27)17-28-23-7-3-5-18-4-1-2-6-22(18)23/h1-11,21,27H,12-17H2"	C1CN(CCN1CC(COC2=CC=CC3=CC=CC=C32)O)C4=CC=C(C=C4)Cl	LNTLXTBBTXSOSV-UHFFFAOYSA-N
DG51595	5-Fluoro-7-nitroquinolin-8-ol	260644	"5-fluoro-7-nitroquinolin-8-ol; MLS000736929; 18472-02-1; NSC92207; 5-Fluoro-7-nitro-quinolin-8-ol; NSC-92207; SMR000528432; 8-Quinolinol, 5-fluoro-7-nitro-; NCIOpen2_005925; NCIOpen2_006002; CHEMBL139935; cid_260644; 5-fluoro-7-nitro-8-quinolinol; BDBM66065; DTXSID50293783; HMS2880K14; 5-fluoranyl-7-nitro-quinolin-8-ol; ZINC1598066; DS-008964"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92207	.	.	.	.	208.15	C9H5FN2O3	78.9	258	2.3	15	1	5	0	"InChI=1S/C9H5FN2O3/c10-6-4-7(12(14)15)9(13)8-5(6)2-1-3-11-8/h1-4,13H"	C1=CC2=C(C=C(C(=C2N=C1)O)[N+](=O)[O-])F	WJOHCSADJQUMCX-UHFFFAOYSA-N
DG51596	"Uridine, 3',5'-bis(p-nitrobenzoate)"	260750	"7057-44-5; NSC92423; DTXSID40990794; NSC-92423; Uridine, 3',5'-bis(p-nitrobenzoate); 1-[2-Deoxy-3,5-bis-O-(4-nitrobenzoyl)pentofuranosyl]-4-hydroxy-5-(trifluoromethyl)pyrimidin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92423	.	.	.	.	594.4	C24H17F3N4O11	203	1140	3.1	42	1	14	8	"InChI=1S/C24H17F3N4O11/c25-24(26,27)16-10-29(23(35)28-20(16)32)19-9-17(42-22(34)13-3-7-15(8-4-13)31(38)39)18(41-19)11-40-21(33)12-1-5-14(6-2-12)30(36)37/h1-8,10,17-19H,9,11H2,(H,28,32,35)"	C1C(C(OC1N2C=C(C(=O)NC2=O)C(F)(F)F)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]	MRWCZWASOUTDDT-UHFFFAOYSA-N
DG51597	"5-Allyl-2,4,6-trichloropyrimidine"	260780	"5-allyl-2,4,6-trichloropyrimidine; 10182-68-0; 5-allyl-2,4,6-trichloro-pyrimidine; 2,4,6-trichloro-5-prop-2-enylpyrimidine; NSC92494; SCHEMBL645408; CHEMBL1984521; DTXSID60293815; ZINC4921613; 2,4,6-Trichloro-5-allylpyrimidine; NSC-92494; NCI60_042045; Pyrimidine,4,6-trichloro-5-(2-propenyl)-; A1-04033"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92494	.	.	.	.	223.5	C7H5Cl3N2	25.8	153	4.2	12	0	2	2	"InChI=1S/C7H5Cl3N2/c1-2-3-4-5(8)11-7(10)12-6(4)9/h2H,1,3H2"	C=CCC1=C(N=C(N=C1Cl)Cl)Cl	RXPZJYKGHXZIEJ-UHFFFAOYSA-N
DG51598	"5-Butan-2-yl-2,4,6-trichloropyrimidine"	260781	"14273-78-0; 5-butan-2-yl-2,4,6-trichloropyrimidine; NSC92495; NCIOpen2_005931; Pyrimidine,2,4,6-trichloro-5-(1-methylpropyl)-; CHEMBL1991489; DTXSID20293816; NSC-92495; NCI60_042046; DS-012377"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92495	.	.	.	.	239.5	C8H9Cl3N2	25.8	156	4.8	13	0	2	2	"InChI=1S/C8H9Cl3N2/c1-3-4(2)5-6(9)12-8(11)13-7(5)10/h4H,3H2,1-2H3"	CCC(C)C1=C(N=C(N=C1Cl)Cl)Cl	UMJHCDWEUQUBNJ-UHFFFAOYSA-N
DG51599	"Pyrimidine, 2,4,6-trichloro-5-pentyl-"	260783	"2,4,6-trichloro-5-pentyl-pyrimidine; 14077-67-9; Pyrimidine, 2,4,6-trichloro-5-pentyl-; NSC92497; CHEMBL1990286; DTXSID80293817; ZINC4921616; NSC-92497; Pyrimidine,4,6-trichloro-5-pentyl-; NCI60_042047; DS-003584"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92497	.	.	.	.	253.6	C9H11Cl3N2	25.8	156	5.5	14	0	2	4	"InChI=1S/C9H11Cl3N2/c1-2-3-4-5-6-7(10)13-9(12)14-8(6)11/h2-5H2,1H3"	CCCCCC1=C(N=C(N=C1Cl)Cl)Cl	ODIFFIIRIFKTLN-UHFFFAOYSA-N
DG51600	"2,4,6-Trichloro-5-(3-methylbutyl)pyrimidine"	260784	"14077-69-1; 2,4,6-trichloro-5-(3-methylbutyl)pyrimidine; NSC92498; NCIOpen2_005971; Pyrimidine,2,4,6-trichloro-5-(3-methylbutyl)-; SCHEMBL5556067; CHEMBL1965704; DTXSID40293818; ZINC1598229; NSC-92498; NCI60_042048; DS-012378"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92498	.	.	.	.	253.6	C9H11Cl3N2	25.8	165	5.2	14	0	2	3	"InChI=1S/C9H11Cl3N2/c1-5(2)3-4-6-7(10)13-9(12)14-8(6)11/h5H,3-4H2,1-2H3"	CC(C)CCC1=C(N=C(N=C1Cl)Cl)Cl	YLMRYOCDUSEBFI-UHFFFAOYSA-N
DG51601	"2,4,6-Trichloro-5-(pentan-2-yl)pyrimidine"	260785	"14095-65-9; 2,4,6-trichloro-5-(pentan-2-yl)pyrimidine; NSC92499; NCIOpen2_006011; CHEMBL1995751; DTXSID00293819; NSC-92499; NCI60_042049"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92499	.	.	.	.	253.6	C9H11Cl3N2	25.8	167	5.3	14	0	2	3	"InChI=1S/C9H11Cl3N2/c1-3-4-5(2)6-7(10)13-9(12)14-8(6)11/h5H,3-4H2,1-2H3"	CCCC(C)C1=C(N=C(N=C1Cl)Cl)Cl	TWQMDUZDMLZWNR-UHFFFAOYSA-N
DG51602	"5-Benzyl-2,4,6-trichloropyrimidine"	260789	"14273-79-1; 5-benzyl-2,4,6-trichloropyrimidine; NSC92504; CHEMBL1984227; SCHEMBL11877767; DTXSID30293822; ZINC4921626; NSC-92504; 5-benzyl-2,4,6-trichloro-pyrimidine; NCI60_042050"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92504	.	.	.	.	273.5	C11H7Cl3N2	25.8	209	5	16	0	2	2	"InChI=1S/C11H7Cl3N2/c12-9-8(10(13)16-11(14)15-9)6-7-4-2-1-3-5-7/h1-5H,6H2"	C1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)Cl)Cl	DUUCYJQQRKIAKM-UHFFFAOYSA-N
DG51603	"2,4,6-Trichloro-5-heptylpyrimidine"	260791	"14077-71-5; 2,4,6-trichloro-5-heptylpyrimidine; Pyrimidine, 2,4,6-trichloro-5-heptyl-; NSC92506; CHEMBL1969370; DTXSID50293824; ZINC1598236; NSC-92506; Pyrimidine,4,6-trichloro-5-heptyl-; NCI60_042051"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92506	.	.	.	.	281.6	C11H15Cl3N2	25.8	180	6.6	16	0	2	6	"InChI=1S/C11H15Cl3N2/c1-2-3-4-5-6-7-8-9(12)15-11(14)16-10(8)13/h2-7H2,1H3"	CCCCCCCC1=C(N=C(N=C1Cl)Cl)Cl	NIOGDGYWVRUKRP-UHFFFAOYSA-N
DG51604	"2,4,6-Trichloro-5-nonylpyrimidine"	260795	"NSC92510; 14077-73-7; 2,4,6-trichloro-5-nonylpyrimidine; Pyrimidine,2,4,6-trichloro-5-nonyl-; NCIMech_000294; NCIOpen2_009960; CHEMBL1968654; DTXSID90293828; CCG-35307; NSC-92510; ZINC59364461; NCI60_042052; DS-012379"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92510	.	.	.	.	309.7	C13H19Cl3N2	25.8	204	7.7	18	0	2	8	"InChI=1S/C13H19Cl3N2/c1-2-3-4-5-6-7-8-9-10-11(14)17-13(16)18-12(10)15/h2-9H2,1H3"	CCCCCCCCCC1=C(N=C(N=C1Cl)Cl)Cl	KVTJZGNCSHIZHR-UHFFFAOYSA-N
DG51605	6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid	260801	"2495-92-3; 6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid; 6-Benzyloxy-5-methoxyindole-2-carboxylic acid; CHEMBL37880; 6-Benzyloxy-5-methoxy-1H-indole-2-carboxylic acid; 5-methoxy-6-phenylmethoxy-1H-indole-2-carboxylic acid; MFCD00055977; Crotonicanhydride; NSC92530; SCHEMBL3243291; 1H-Indole-2-carboxylicacid, 5-methoxy-6-(phenylmethoxy)-; DTXSID80293832; ZINC402728; BDBM50407310; NSC 92530; NSC-92530; 6-Benzyloxy-5-methoxy-2-carboxyindole; Indole, 6-benzyloxy-2-carboxy-5-methoxy-; FT-0620960; J-015750; 5-Methoxy-6-(benzyloxy)-1H-indole-2-carboxylic acid; 6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid #; 6-Benzyloxy-5-methoxy-2-carboxyindole, >=99%, powder"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92530	.	.	.	.	297.3	C17H15NO4	71.6	383	3.3	22	2	4	5	"InChI=1S/C17H15NO4/c1-21-15-8-12-7-14(17(19)20)18-13(12)9-16(15)22-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,19,20)"	COC1=C(C=C2C(=C1)C=C(N2)C(=O)O)OCC3=CC=CC=C3	JMOOGCFXFNKYCS-UHFFFAOYSA-N
DG51606	[3-Benzoyloxy-2-methoxy-5-(4-methylphenyl)sulfonyloxyoxan-4-yl] benzoate	260901	"13143-92-5; [3-benzoyloxy-2-methoxy-5-(4-methylphenyl)sulfonyloxyoxan-4-yl] benzoate; Methyl 2-O,3-O-dibenzoyl-4-O-(p-tolylsulfonyl)-beta-L-arabinopyranoside; NSC92713; DTXSID30927195; NSC-92713; Arabinopyranoside, 2,3-dibenzoate 4-p-toluenesulfonate, .beta.-L-; Methyl 2,3-di-O-benzoyl-4-O-(4-methylbenzene-1-sulfonyl)pentopyranoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92713	.	.	.	.	526.6	C27H26O9S	123	850	4.5	37	0	9	10	"InChI=1S/C27H26O9S/c1-18-13-15-21(16-14-18)37(30,31)36-22-17-33-27(32-2)24(35-26(29)20-11-7-4-8-12-20)23(22)34-25(28)19-9-5-3-6-10-19/h3-16,22-24,27H,17H2,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)OC2COC(C(C2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC	JCSXKIONPSDJBE-UHFFFAOYSA-N
DG51607	"N-[bis(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]acetamide"	260983	NSC92835; CHEMBL1993926; ZINC4878493; NSC-92835; NCI60_042060	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92835	.	.	.	.	361.4	C21H23N5O	86.5	517	3.4	27	3	3	3	"InChI=1S/C21H23N5O/c1-10-6-15-16(7-11(10)2)24-20(23-15)19(22-14(5)27)21-25-17-8-12(3)13(4)9-18(17)26-21/h6-9,19H,1-5H3,(H,22,27)(H,23,24)(H,25,26)"	CC1=CC2=C(C=C1C)N=C(N2)C(C3=NC4=C(N3)C=C(C(=C4)C)C)NC(=O)C	PBKSRLRVYSIOHO-UHFFFAOYSA-N
DG51608	"Arsenic(III)oxide,arsenic trioxide,arsenous acid anhydride,arsenous acid,arsenic sesquioxide,white arsenic"	261004	"MFCD00003433; arsenic(iii)oxide,arsenic trioxide,arsenous acid anhydride,arsenous acid,arsenic sesquioxide,white arsenic; arsenic-trioxide; CHEMBL1200978; Arsenic(III) oxide, elec. gr.; NSC92859; Arsenic(III) oxide, Puratronic(R); Arsenic(III) oxide, primary standard; AKOS015903780; DB01169; Arsenic(III) oxide, p.a., 99.0%; NCGC00164639-02; Arsenic(III) oxide, 99.995% trace metals basis; Arsenic(III) oxide, ReagentPlus(R), >=99.0%; Arsenic(III) oxide, SAJ first grade, >=99.0%; Arsenic(III) oxide, ACS reagent (primary standard); J-006219; Arsenic(III) oxide, puriss. p.a., ACS reagent, 99.95-100.05% (RT); Arsenic(III) oxide, certified reference material for titrimetry, certified by BAM, according to ISO 17025, >99.5%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92859	.	.	.	.	197.841	As2O3	43.4	34.2	.	5	0	3	0	InChI=1S/As2O3/c3-1-5-2-4	O=[As]O[As]=O	IKWTVSLWAPBBKU-UHFFFAOYSA-N
DG51609	Antineoplastic-92909	261046	NSC92909; ANTINEOPLASTIC-92909; NSC-92909	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92909	.	.	.	.	448.18	C16H18As2N4O2	110	405	.	24	4	4	8	"InChI=1S/C16H18As2N4O2/c19-15(23)9-21-13-5-1-11(2-6-13)17-18-12-3-7-14(8-4-12)22-10-16(20)24/h1-8,21-22H,9-10H2,(H2,19,23)(H2,20,24)"	C1=CC(=CC=C1NCC(=O)N)[As]=[As]C2=CC=C(C=C2)NCC(=O)N	YCEAIAPPOPKCQR-UHFFFAOYSA-N
DG51610	Antineoplastic-92915	261051	NSC92915; ANTINEOPLASTIC-92915; NSC-92915	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92915	.	.	.	.	542.3	C26H20As2N2O2	58.2	574	.	32	2	2	6	"InChI=1S/C26H20As2N2O2/c31-25(19-7-3-1-4-8-19)29-23-15-11-21(12-16-23)27-28-22-13-17-24(18-14-22)30-26(32)20-9-5-2-6-10-20/h1-18H,(H,29,31)(H,30,32)"	C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[As]=[As]C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4	DMJGMSVPSALYGT-UHFFFAOYSA-N
DG51611	"1H-Benzo[a]carbazole-1,4(11H)-dione, 11-methyl-"	261066	"1H-Benzo[a]carbazole-1,4(11H)-dione, 11-methyl-; NSC92937; MLS002701942; CHEMBL1718737; 68452-38-0; 11-methylbenzo[a]carbazole-1,4-dione; SCHEMBL21945223; DTXSID70293907; ZINC1603902; BDBM50235876; NSC-92937; 1H-Benzo[a]carbazole-1, 11-methyl-; NCI60_042064; SMR001565525; DS-008635"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92937	.	.	.	.	261.269	C17H11NO2	39.1	483	2.9	20	0	2	0	"InChI=1S/C17H11NO2/c1-18-13-5-3-2-4-10(13)11-6-7-12-14(19)8-9-15(20)16(12)17(11)18/h2-9H,1H3"	CN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C=CC4=O	IUPDQKLAXUTBLE-UHFFFAOYSA-N
DG51612	"12-Methyl-5h-naphtho[2,3-a]carbazole-5,13(12h)-dione"	261069	"21355-36-2; 12-methyl-5h-naphtho[2,3-a]carbazole-5,13(12h)-dione; NSC92941; CHEMBL1999564; DTXSID30293908; ZINC4824194; NSC-92941; NCI60_042065; 12-Methyl-12H-naphtho[2,3-a]carbazole-5,13-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92941	.	.	.	.	311.3	C21H13NO2	39.1	558	4.3	24	0	2	0	"InChI=1S/C21H13NO2/c1-22-17-9-5-4-6-12(17)13-10-11-16-18(19(13)22)21(24)15-8-3-2-7-14(15)20(16)23/h2-11H,1H3"	CN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O	JJQIATBTHVGNGQ-UHFFFAOYSA-N
DG51613	Acetylstrophanthidin	261075	"Acetylstrophanthidin; Strophanthidin 3-acetate; Strophanthidin acetate; 60-38-8; Acetyl-k-strophanthidine; Erysimupicrone acetate; Acetylstrophanthidine; k-Strophanthidin, acetyl-; acetyl-strophanthidin; 3-ACETYL STROPHANTHIDIN; UNII-JG33H36364; CHEBI:59028; JG33H36364; [(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; 3-Acetyl-strophanthidin; 3beta,5,14-trihydroxy-19-oxo-5beta-card-20(22)-enolide 3-acetate; 3beta-acetyloxy-5,14-dihydroxy-19-oxo-5beta-card-20(22)-enolide; EINECS 200-474-0; NSC 92954; ACETYLTROPHANTHIDIN; Strophanthidin, 3-acetate; STROPHANTIDIN 3-Acetate; MEGxp0_001780; SCHEMBL3414953; CHEMBL1981679; ACon1_000278; 5beta,14-Dihydroxy-19-oxocard-20(22)enolide 3beta-acetate; DTXSID401018935; NSC92954; ZINC3875403; NSC-92954; AKOS024306999; MCULE-4795550652; MCULE-7003052133; NCGC00180716-01; NCI60_042066; BRD-K48492632-001-01-2; Q27126403; WLN: L E5 B666TJ AVH E1 IQ MQ OOV1 F- DT5OV EHJ; 3beta,5,14,19-Tetrahydroxy-5beta-card-20(22)-enolide 19-acetate; 3beta-acetoxy-5,14-dihydroxy-19-oxo-5beta-card-20(22)-enolide; 5.beta.-Card-20(22)-enolide,5,14-trihydroxy-19-oxo-, 3-acetate; 5-beta-CARD-20(22)-ENOLIDE, 19-OXO-3-beta,5,14-TRIHYDROXY-, 3-ACETATE; 5beta-Card-20(22)-enolide, 3beta,5,14-trihydroxy-19-oxo-, 3-acetate (8CI); Card-20(22)-enolide, 3-(acetyloxy)-5,14-dihydroxy-19-oxo-, (3beta,5beta)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92954	.	.	.	.	446.5	C25H34O7	110	882	1.2	32	2	7	4	"InChI=1S/C25H34O7/c1-15(27)32-17-3-8-23(14-26)19-4-7-22(2)18(16-11-21(28)31-13-16)6-10-25(22,30)20(19)5-9-24(23,29)12-17/h11,14,17-20,29-30H,3-10,12-13H2,1-2H3/t17-,18+,19-,20+,22+,23-,24-,25-/m0/s1"	CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@]4([C@@H]3CC[C@@]2(C1)O)O)C5=CC(=O)OC5)C)C=O	JLZAERUVCODZQO-VWCUIIQSSA-N
DG51614	"4-(((2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl)amino)-2-hydroxybenzoic acid"	261126	"4116-42-1; NSC93033; 4-(((2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl)amino)-2-hydroxybenzoic acid; MLS000736948; CHEMBL1594682; 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybenzoic acid; NSC-93033; 4-{[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetyl]amino}-2-hydroxybenzoic acid; NCIStruc1_001407; NCIStruc2_001307; SCHEMBL17274583; DTXSID00293930; NCI93033; ZINC1603961; BDBM50269649; CCG-36664; NCGC00013973; AKOS028108622; SB58805; NCGC00013973-02; NCGC00097082-01; AS-73703; NCI60_042069; SMR000528437; D93177; 4-[2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]-2-hydroxybenzoic acid; Benzoic acid,4-[[2-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)acetyl]amino]-2-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93033	.	.	.	.	305.24	C13H11N3O6	136	532	-0.2	22	4	6	4	"InChI=1S/C13H11N3O6/c17-9-5-7(1-2-8(9)12(20)21)14-11(19)6-16-4-3-10(18)15-13(16)22/h1-5,17H,6H2,(H,14,19)(H,20,21)(H,15,18,22)"	C1=CC(=C(C=C1NC(=O)CN2C=CC(=O)NC2=O)O)C(=O)O	CSMIMYLGRREXAC-UHFFFAOYSA-N
DG51615	"n-(3,5-Dimethyl-2,4,6-trinitrophenyl)-3,5-dimethyl-2,4,6-trinitroaniline"	261155	"5369-24-4; NSC93077; n-(3,5-dimethyl-2,4,6-trinitrophenyl)-3,5-dimethyl-2,4,6-trinitroaniline; DTXSID40293939; NSC-93077; ZINC104066407; DS-001853; N-(3,5-DIMETHYL-2,4,6-TRINITRO-PHENYL)-3,5-DIMETHYL-2,4,6-TRINITRO-ANILINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93077	.	.	.	.	495.31	C16H13N7O12	287	772	4.4	35	1	13	2	"InChI=1S/C16H13N7O12/c1-5-11(18(24)25)6(2)14(21(30)31)9(13(5)20(28)29)17-10-15(22(32)33)7(3)12(19(26)27)8(4)16(10)23(34)35/h17H,1-4H3"	CC1=C(C(=C(C(=C1[N+](=O)[O-])NC2=C(C(=C(C(=C2[N+](=O)[O-])C)[N+](=O)[O-])C)[N+](=O)[O-])[N+](=O)[O-])C)[N+](=O)[O-]	KLRUMXLUOGELHG-UHFFFAOYSA-N
DG51616	"1,3-Benzodioxol-5-yl-[4-(3-methylphenyl)piperazin-1-yl]methanethione"	261316	MLS002695184; NSC93301; CHEMBL1719889; HMS3087M23; ZINC1604143; NSC-93301; SMR001561096	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93301	.	.	.	.	340.4	C19H20N2O2S	57	453	3.8	24	0	4	2	"InChI=1S/C19H20N2O2S/c1-14-3-2-4-16(11-14)20-7-9-21(10-8-20)19(24)15-5-6-17-18(12-15)23-13-22-17/h2-6,11-12H,7-10,13H2,1H3"	CC1=CC(=CC=C1)N2CCN(CC2)C(=S)C3=CC4=C(C=C3)OCO4	XIWWLBIRVKQSQX-UHFFFAOYSA-N
DG51617	NSC93354	261360	"(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-17-(2-phenyl-1,3-thiazol-4-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; NSC93354; MLS000736952; NSC-93354; CHEMBL1997343; ZINC4933920; NCI60_042079"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93354	.	.	.	.	447.6	C28H33NO2S	78.4	790	5.4	32	1	4	2	"InChI=1S/C28H33NO2S/c1-27-13-12-19(30)14-18(27)8-9-20-21-10-11-22(28(21,2)15-24(31)25(20)27)23-16-32-26(29-23)17-6-4-3-5-7-17/h3-7,14,16,20-22,24-25,31H,8-13,15H2,1-2H3/t20-,21-,22+,24-,25+,27-,28-/m0/s1"	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C5=CSC(=N5)C6=CC=CC=C6)C)O	DIDVQQHUMYJCEX-QCZBTCEYSA-N
DG51618	NSC93355	261361	"17-(2-Amino-1,3-thiazol-4-yl)-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;4-bromobenzenesulfonic acid; NSC93355; MLS002695192; NSC-93355; CHEMBL1702169; HMS3087E09; NCI60_042080; SMR001561104; 4-bromobenzenesulfonic acid compound with 11-hydroxy-17-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)androst-4-en-3-one (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93355	.	.	.	.	623.6	C28H35BrN2O5S2	167	892	.	38	3	8	2	"InChI=1S/C22H30N2O2S.C6H5BrO3S/c1-21-8-7-13(25)9-12(21)3-4-14-15-5-6-16(17-11-27-20(23)24-17)22(15,2)10-18(26)19(14)21;7-5-1-3-6(4-2-5)11(8,9)10/h9,11,14-16,18-19,26H,3-8,10H2,1-2H3,(H2,23,24);1-4H,(H,8,9,10)"	CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C5=CSC(=N5)N)C)O.C1=CC(=CC=C1S(=O)(=O)O)Br	RZIOOCVUORSHLI-UHFFFAOYSA-N
DG51619	"3-Phenylpyrrolo[2,1-a]isoquinoline-2-carboxamide"	261413	"NSC93427; MLS000736953; 3-phenylpyrrolo[2,1-a]isoquinoline-2-carboxamide; NCIOpen2_005987; CHEMBL1389248; HMS2878F05; ZINC1604214; NSC-93427; NSC131468; NSC-131468; SMR000528440; 3-phenyl-4H-pyrrolo[5,1-a]isoquinoline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93427	.	.	.	.	286.3	C19H14N2O	47.5	418	4.3	22	1	1	2	"InChI=1S/C19H14N2O/c20-19(22)16-12-17-15-9-5-4-6-13(15)10-11-21(17)18(16)14-7-2-1-3-8-14/h1-12H,(H2,20,22)"	C1=CC=C(C=C1)C2=C(C=C3N2C=CC4=CC=CC=C43)C(=O)N	UZXDPDNFVGMTNW-UHFFFAOYSA-N
DG51620	"2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(1H-imidazol-4-yl)propanoic acid"	261550	"5959-79-5; NSC93967; 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(1H-imidazol-4-yl)propanoic acid; 2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)propanoic acid; 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(1H-imidazol-4-yl)propanoic acid; (S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoic acid; NSC-93967; N-PHTHALOYL-DL-HISTIDINE; ChemDiv3_000196; Oprea1_116929; Oprea1_671979; Oprea1_841455; CBDivE_002610; CHEMBL331687; SCHEMBL6690700; DTXSID50294073; HMS1473I20; 2-(1,3-dioxoisoindol-2-yl)-3-(3H-imidazol-4-yl)propanoic acid; MFCD00023055; STK387462; AKOS000200591; AKOS001061006; AKOS016040283; AKOS016050477; MCULE-4823270662; SDCCGMLS-0065495.P001; IDI1_019514; NCI60_042097; NS-04731; DS-000434; CS-0218153; EN300-00254; 2-phthalimido-3-(imidazol-4-yl)propionic acid; Histidine, .alpha.-phthalimido-.alpha.-desamino-; Z56347460; F0827-0155; 2-(1,3-dioxoisoindolin-2-yl)-3-(1H-imidazol-5-yl)propanoic acid; 1,3-Dihydro-; A-(1H-imidazol-5-ylmethyl)-1,3-dioxo-2H-isoindole-2-acetic acid; 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(1H-imidazol-4-yl)propanoic acid #; 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(1H-imidazol-5-yl)propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93967	.	.	.	.	285.25	C14H11N3O4	103	443	0.7	21	2	5	4	"InChI=1S/C14H11N3O4/c18-12-9-3-1-2-4-10(9)13(19)17(12)11(14(20)21)5-8-6-15-7-16-8/h1-4,6-7,11H,5H2,(H,15,16)(H,20,21)"	C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CN=CN3)C(=O)O	CTUUVOUXZNQMSU-UHFFFAOYSA-N
DG51621	Fastigillin C	261577	FASTIGILLIN C; NSC176507; 6995-12-6; CHEMBL2007366; NSC94036; NSC-94036; NSC-176507; NCI60_001462	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176507	.	.	.	.	360.4	C20H24O6	89.9	743	2.5	26	1	6	3	"InChI=1S/C20H24O6/c1-9(2)8-14(22)25-18-15-11(4)19(24)26-17(15)16(23)10(3)12-6-7-13(21)20(12,18)5/h6-8,10,12,15-18,23H,4H2,1-3,5H3/t10-,12-,15+,16+,17-,18+,20-/m0/s1"	C[C@H]1[C@@H]2C=CC(=O)[C@]2([C@@H]([C@H]3[C@@H]([C@@H]1O)OC(=O)C3=C)OC(=O)C=C(C)C)C	QQEQKSVDPDNRRR-NUYZTHSYSA-N
DG51622	N-methyl-4-(quinolin-5-yldiazenyl)aniline	261763	MLS002695253; NSC94703; NCIOpen2_005799; CHEMBL1712941; HMS3088K03; NSC-94703; ZINC17821229; ZINC102815737; SMR001561160	.	.	Investigative Drug(s)	Investigative	Small molecular drug	94703	.	.	.	.	262.31	C16H14N4	49.6	322	4.4	20	1	4	3	"InChI=1S/C16H14N4/c1-17-12-7-9-13(10-8-12)19-20-16-6-2-5-15-14(16)4-3-11-18-15/h2-11,17H,1H3"	CNC1=CC=C(C=C1)N=NC2=CC=CC3=C2C=CC=N3	LJGFJKWOMPUOBR-UHFFFAOYSA-N
DG51623	Demethyltylophorinine	261792	NSC94739; DEMETHYLTYLOPHORININE; CHEMBL1836655; NSC-94739; NCI60_042108	.	.	Investigative Drug(s)	Investigative	Small molecular drug	94739	.	.	.	.	365.4	C22H23NO4	62.2	544	3.3	27	2	5	2	"InChI=1S/C22H23NO4/c1-26-19-9-15-14-8-12(24)5-6-13(14)21-17(16(15)10-20(19)27-2)11-23-7-3-4-18(23)22(21)25/h5-6,8-10,18,22,24-25H,3-4,7,11H2,1-2H3/t18-,22-/m0/s1"	COC1=C(C=C2C(=C1)C3=C([C@H]([C@@H]4CCCN4C3)O)C5=C2C=C(C=C5)O)OC	SBVBOLGVLBCFIL-AVRDEDQJSA-N
DG51624	"4-[15-(4-Hydroxy-3-methoxy-phenyl)-1,3,14,16-tetrathiacyclohexacos-2-yl]-2-methoxy-phenol"	261816	"NSC94783; NSC-94783; NCIStruc1_000103; NCIStruc2_000106; CHEMBL1437105; CHEMBL2004709; NCI94783; ZINC3954212; CCG-36234; NCGC00013984; 4-[15-(4-hydroxy-3-methoxy-phenyl)-1,3,14,16-tetrathiacyclohexacos-2-yl]-2-methoxy-phenol; NCGC00013984-02; NCGC00097093-01; NCI60_042110"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	94783	.	.	.	.	681.1	C36H56O4S4	160	605	12.3	44	2	8	4	"InChI=1S/C36H56O4S4/c1-39-33-27-29(19-21-31(33)37)35-41-23-15-11-7-3-5-9-13-17-25-43-36(30-20-22-32(38)34(28-30)40-2)44-26-18-14-10-6-4-8-12-16-24-42-35/h19-22,27-28,35-38H,3-18,23-26H2,1-2H3"	COC1=C(C=CC(=C1)C2SCCCCCCCCCCSC(SCCCCCCCCCCS2)C3=CC(=C(C=C3)O)OC)O	HBDTUTAWRQNCDM-UHFFFAOYSA-N
DG51625	N-(4-amino-2-chlorophenyl)-N-(phenylsulfonyl)benzenesulfonamide	261838	NSC94810; NSC-94810; NCIStruc1_001489; NCIStruc2_001723; CHEMBL1358449; NCI94810; ZINC1609949; CCG-37649; NCGC00013985; NCGC00013985-02; NCGC00097094-01; NCI60_042111; N-(4-amino-2-chlorophenyl)-N-(phenylsulfonyl)benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	94810	.	.	.	.	422.9	C18H15ClN2O4S2	114	642	3.7	27	1	6	5	"InChI=1S/C18H15ClN2O4S2/c19-17-13-14(20)11-12-18(17)21(26(22,23)15-7-3-1-4-8-15)27(24,25)16-9-5-2-6-10-16/h1-13H,20H2"	C1=CC=C(C=C1)S(=O)(=O)N(C2=C(C=C(C=C2)N)Cl)S(=O)(=O)C3=CC=CC=C3	FAYLEAJHBNHJLN-UHFFFAOYSA-N
DG51626	"N,N'-(Methylenedi-p-phenylene)diphthalimide"	261847	"NSC94820; 39673-98-8; N,N'-(Methylenedi-p-phenylene)diphthalimide; NSC-94820; 2,2'-(methylenedi-4,1-phenylene)bis(1h-isoindole-1,3(2h)-dione); 2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]isoindole-1,3-dione; NCIStruc1_001481; NCIStruc2_001610; Oprea1_263301; Oprea1_311846; CBDivE_004068; SCHEMBL9480783; CHEMBL1741993; DTXSID30960289; ZINC625645; NCI94820; 2,2'-[methylenebis(4,1-phenylene)]bis(1H-isoindole-1,3(2H)-dione); CCG-37300; NCGC00013986; NSC 94820; STK049922; AKOS000487511; MCULE-7147045026; NCGC00013986-02; NCGC00097095-01; NCI60_042112; DS-012844; SR-01000432960; SR-01000432960-1; 2,4'-methylenebis(4,1-phenylene))diisoindoline-1,3-dione; 2,2'-(methylenebis(4,1-phenylene))bis(isoindoline-1,3-dione); 2,2'-[Methylenebis(4,1-phenylene)]bis(2H-isoindole-1,3-dione); 2,2'-[Methylenedi(4,1-phenylene)]di(1H-isoindole-1,3(2H)-dione); 2,2'-(methanediyldibenzene-4,1-diyl)bis(1H-isoindole-1,3(2H)-dione); 2-[4-[[4-(1,3-dioxoisoindolin-2-yl)phenyl]methyl]phenyl]isoindoline-1,3-dione; 2-(4-(4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzyl)phenyl)-1H-isoindole-1,3(2H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	94820	.	.	.	.	458.5	C29H18N2O4	74.8	752	4.9	35	0	4	4	"InChI=1S/C29H18N2O4/c32-26-22-5-1-2-6-23(22)27(33)30(26)20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)31-28(34)24-7-3-4-8-25(24)29(31)35/h1-16H,17H2"	C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)CC4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O	LFVOAXPHCGOYJJ-UHFFFAOYSA-N
DG51627	Gardenin A	261859	"Gardenin A; Gardenin; 21187-73-5; 5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one; UNII-24J0W87Z43; 5-Hydroxy-3',4',5',6,7,8-hexamethoxyflavone; NSC94889; 24J0W87Z43; 5OH3'4'5'6,7,8-hexMeO-Flavone; 5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one; 4H-1-Benzopyran-4-one,5-hydroxy-6,7,8- trimethoxy-2-(3,4,5-trimethoxyphenyl)-; 5-Hydroxy-6,7,8-trimethoxy-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one; 3',4',5',6,7,8-Hexamethoxy-5-hydroxyflavone; Gardenin (1); gardenin a, AldrichCPR; MLS000863619; BIDD:ER0415; CHEMBL77705; SPECTRUM1505146; MEGxp0_001882; SCHEMBL1764114; ACon1_000048; DTXSID30175417; BDBM153263; HMS2269F21; ZINC1615112; LMPK12111493; MFCD00017419; NSC 94889; NSC-94889; AKOS024286925; Flavone,4',5',6,7,8-hexamethoxy-; MCULE-6990234990; NCGC00096041-01; NCGC00096041-02; NCGC00168844-01; NCI60_042113; SMR000440777; DB-045508; FT-0630469; 5-Hydroxy-6,7,8,3',4',5'-Hexamethoxyflaone; BRD-K78744675-001-01-7; Q27253857; 4H-1-Benzopyran-4-one,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	94889	.	.	.	.	418.4	C21H22O9	102	610	3.2	30	1	9	7	"InChI=1S/C21H22O9/c1-24-13-7-10(8-14(25-2)17(13)26-3)12-9-11(22)15-16(23)19(27-4)21(29-6)20(28-5)18(15)30-12/h7-9,23H,1-6H3"	COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O	MQBFFYQCZCKSBX-UHFFFAOYSA-N
DG51628	Gitoxoside	261947	"Gitoxoside; Digoxin Impurity B; MLS002701944; 4562-36-1; Anhydrogitalin; Pseudodigitoxin; Bigitalin; Gitoksin; Gitoxim; 3-[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; NSC95099; NSC-95099; NCI60_042118; SMR001565526; DB-051326; FT-0603661; 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; WLN: L E5 B666TJ A1 E1 GQ IQ F- DT5OV EHJ& OO- FT6OTJ B1 DQ CO- FT6OTJ B1 DQ CO- FT6OTJ B1 CQ DQ"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95099	.	.	.	.	780.9	C41H64O14	203	1450	1.5	55	6	14	7	"InChI=1S/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3"	CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CC(C7C8=CC(=O)OC8)O)O)C)C)C)C)O)O	LKRDZKPBAOKJBT-UHFFFAOYSA-N
DG51629	4-(Tetraphen-7-yl)benzamide	262000	56164-80-8; 4-(tetraphen-7-yl)benzamide; NSC95170; CHEMBL4446687; DTXSID10294211; ZINC1615631; NSC-95170	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95170	.	.	.	.	347.4	C25H17NO	43.1	536	6.1	27	1	1	2	"InChI=1S/C25H17NO/c26-25(27)18-11-9-17(10-12-18)24-21-8-4-2-6-19(21)15-23-20-7-3-1-5-16(20)13-14-22(23)24/h1-15H,(H2,26,27)"	C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)C5=CC=C(C=C5)C(=O)N	QNFVYQOCJNWWKQ-UHFFFAOYSA-N
DG51630	[4-(7-acetyloxy-2-methyl-2H-chromen-3-yl)phenyl] acetate	262088	"MLS002695290; 10499-08-8; NSC95381; SCHEMBL2180009; CHEMBL1884162; DTXSID30294233; HMS3079M13; NSC-95381; 4',7-diacetoxy-2-methyl-isoflav-3-ene; SMR001561197"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95381	.	.	.	.	338.4	C20H18O5	61.8	532	3.3	25	0	5	5	"InChI=1S/C20H18O5/c1-12-19(15-4-7-17(8-5-15)24-13(2)21)10-16-6-9-18(25-14(3)22)11-20(16)23-12/h4-12H,1-3H3"	CC1C(=CC2=C(O1)C=C(C=C2)OC(=O)C)C3=CC=C(C=C3)OC(=O)C	DNZGBFXOVKCJMO-UHFFFAOYSA-N
DG51631	"2,3-Bis(2-hydroxyethylthio)-1,4-naphthalenedione"	262093	"93718-83-3; NSC 95397; 2,3-Bis(2-hydroxyethylthio)-1,4-naphthalenedione; 2,3-bis(2-hydroxyethylsulfanyl)naphthalene-1,4-dione; NSC-95397; NSC95397; MLS002153403; CHEMBL429095; 2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione; SMR001230781; SR-01000075930; Tocris-1547; Lopac-N-1786; Lopac0_000629; BSPBio_001155; KBioGR_000495; KBioSS_000495; cid_262093; SCHEMBL2530685; CHEBI:93193; KBio2_000495; KBio2_003063; KBio2_005631; KBio3_000909; KBio3_000910; DTXSID10294236; Bio2_000408; Bio2_000888; C14H14O4S2; HMS1362I17; HMS1792I17; HMS1990I17; HMS3261N20; HMS3268C19; HMS3403I17; HMS3412J11; HMS3676J11; BCP32686; ZINC1615742; Tox21_500629; 3685AF; BDBM50208827; EI-309; s6777; AKOS015856811; 1, 2,3-bis[(2-hydroxyethyl)thio]-; CCG-204717; LP00629; SDCCGSBI-0050610.P002; IDI1_002163; NCGC00015729-01; NCGC00015729-02; NCGC00015729-03; NCGC00015729-04; NCGC00015729-05; NCGC00015729-06; NCGC00015729-07; NCGC00015729-08; NCGC00025211-01; NCGC00025211-02; NCGC00025211-03; NCGC00025211-04; NCGC00025211-05; NCGC00261314-01; AS-81945; NCI60_042120; NSC95397; NSC 95397; N1786 (NSC95397); HY-108543; B6784; BB 0237270; CS-0029113; EU-0100629; FT-0677483; NSC 95397, >=97% (HPLC); N 1786; 2,3-bis[(2-Hydroxyethyl)thio]-1,4-naphthoquinone; 2,3-bis[(2-Hydroxyethyl)thiol]-1,4-naphthoquinone; SR-01000075930-1; SR-01000075930-3; SR-01000075930-7; SR-01000075930-8; BRD-K68143200-001-02-6; Q27164911; 2,3-Bis-(2-hydroxy-ethylsulfanyl)-[1,4]naphthoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95397	.	.	.	.	310.4	C14H14O4S2	125	381	1.5	20	2	6	6	"InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2"	C1=CC=C2C(=C1)C(=O)C(=C(C2=O)SCCO)SCCO	MAASHDQFQDDECQ-UHFFFAOYSA-N
DG51632	1-benzyl-1H-indole-3-carbaldehyde	262104	"1-benzyl-1H-indole-3-carbaldehyde; 10511-51-0; 1-benzylindole-3-carbaldehyde; 1-Benzylindole-3-carboxaldehyde; 1-Benzyl-3-indolylaldehyde; 1-Benzyl-1H-indole-3-carboxaldehyde; MFCD00022894; NSC95434; 1H-Indole-3-carboxaldehyde,1-(phenylmethyl)-; 1-benzylindol-3-carboxaldehyde; SCHEMBL1418988; CHEMBL1775116; ZINC87953; 1-benzyl-3-indole carboxaldehyde; DTXSID20294242; ALBB-001166; BBL009185; NSC-95434; STK409632; 1-phenylmethyl-indole-3-carboxaldehyde; AKOS000100223; AM10038; MCULE-4957937742; PS-7661; DB-040588; BB 0217312; CS-0116564; FT-0607386; Y6909; EN300-00958; 1h-indole-3-carboxaldehyde, 1-(phenylmethyl)-; D85426; W-204544; F0266-0929"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95434	.	.	.	.	235.28	C16H13NO	22	285	3.1	18	0	1	3	"InChI=1S/C16H13NO/c18-12-14-11-17(10-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,11-12H,10H2"	C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=O	OXCITQLDOUGVRZ-UHFFFAOYSA-N
DG51633	NSC95609	262184	"2,2,29,29-Tetraoxo-2lambda6,29lambda6-dithia-7,10,14,17,21,24,34,37,41,44,48,51-dodecazaheptacyclo[50.2.2.23,6.214,17.225,28.230,33.241,44]hexahexaconta-1(54),3(66),4,6(65),25(62),26,28(61),30,32,52,55,59-dodecaene-8,23,35,50-tetrone; NSC95609; NSC-95609; tetraoxo[ ]tetrone; NCIStruc1_000822; NCIStruc2_000670; CHEMBL2006419; SCHEMBL14286202; NCI95609; CCG-38227; NCGC00013995; NCGC00013995-02; NCGC00097104-01; NCI60_042130; 2,29-dithia-7,10,14,17,21,24,34,37,41,44,48,51-dodecaazaheptacyclo[50.2.2.2~3,6~.2~14,17~.2~25,28~.2~30,33~.2~41,44~]hexahexaconta-1(54),3,5,25,27,30,32,52,55,59,61,65-dodecaene-8,23,35,50-tetrone 2,2 ,29,29-tetraoxide; 2,29-Dithia-7,10,14,17,21,24,34,37,41,44,48,51-dodecaazaheptacyclo[50.2.2.2~3,6~.2~14,17~.2~25,28~.2~30,33~.2~41,44~]hexahexaconta-1(54),3,5,25,27,30,32,52,55,59,61,65-dodecaene-8,23,35,50-tetrone 2,2,29,29-tetraoxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95609	.	.	.	.	1057.3	C52H72N12O8S2	263	1670	1.2	74	8	16	0	"InChI=1S/C52H72N12O8S2/c65-49-37-53-21-1-25-61-29-31-62(32-30-61)26-2-22-54-38-50(66)58-42-9-17-47(18-10-42)74(71,72)48-19-11-44(12-20-48)60-52(68)40-56-24-4-28-64-35-33-63(34-36-64)27-3-23-55-39-51(67)59-43-7-15-46(16-8-43)73(69,70)45-13-5-41(57-49)6-14-45/h5-20,53-56H,1-4,21-40H2,(H,57,65)(H,58,66)(H,59,67)(H,60,68)"	C1CNCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CNCCCN4CCN(CCCNCC(=O)NC5=CC=C(C=C5)S(=O)(=O)C6=CC=C(C=C6)NC(=O)CNCCCN7CCN(C1)CC7)CC4	FRFGTGFAXBRHNL-UHFFFAOYSA-N
DG51634	2-(Tosyloxy)biphenyl	262324	MLS002695328; NSC95779; 2-(Tosyloxy)biphenyl; SCHEMBL6938234; CHEMBL1707364; HMS3079O21; ZINC1621432; NSC-95779; AKOS008677776; SMR001561234	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95779	.	.	.	.	324.4	C19H16O3S	51.8	454	5	23	0	3	4	"InChI=1S/C19H16O3S/c1-15-11-13-17(14-12-15)23(20,21)22-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14H,1H3"	CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3=CC=CC=C3	BHGWQZFJVFVCCQ-UHFFFAOYSA-N
DG51636	4-benzoyl-3H-benzo[f]quinoline-3-carbonitrile	262649	"MLS002703342; 26455-95-8; 1-Benzoyl-1,2-dihydrobenzo[f]quinaldonitrile; 4-benzoyl-3H-benzo[f]quinoline-3-carbonitrile; NSC96541; SCHEMBL3859175; CHEMBL1704924; DTXSID50294417; NSC-96541; SMR001570064; Benzo[f]quinoline-3-carbonitrile,4-dihydro-; 3-cyano-4-benzoyl-3,4-dihydrobenzo(f)chinoline; 1-(Phenylcarbonyl)-1,2-dihydroazaphenanthrene-2-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	96541	.	.	.	.	310.3	C21H14N2O	44.1	553	4.5	24	0	2	1	"InChI=1S/C21H14N2O/c22-14-17-11-12-19-18-9-5-4-6-15(18)10-13-20(19)23(17)21(24)16-7-2-1-3-8-16/h1-13,17H"	C1=CC=C(C=C1)C(=O)N2C(C=CC3=C2C=CC4=CC=CC=C43)C#N	YLUZVASKHQAJAO-UHFFFAOYSA-N
DG51637	2-(Tritylthio)ethanamine	262764	"2-(tritylthio)ethanamine; 1095-85-8; 2-tritylsulfanylethanamine; 2-(tritylsulfanyl)ethanamine; 2-Tritylsulfanyl-ethylamine; S-tritylcysteamine; 2-[(triphenylmethyl)sulfanyl]ethan-1-amine; 2-(Tritylthio)ethanamine,2-[(triphenylmethyl)thio]- Ethanamine; NSC96704; S-Trityl cysteamine; S-Trityl-cysteamine; (S-Trityl)Cysteamine; 2-tritylthioethylamine; (tritylsulfanyl)ethylamine; 2-tritylsulfanylethylamine; 2-(Tritylthio)ethaneamine; H2N-CH2-CH2-STrt; 2-(tritylsulfanyl)ethylamine; SCHEMBL38315; CHEMBL408072; BDBM23802; DTXSID10911219; 2-(tritylsulfanyl)-1-ethaneamine; Ethanamine,2-[(triphenylmethyl)thio]-, hydrochloride (1:1); BAA09585; ZINC4958385; 2-[(Triphenylmethyl)thio]ethylamine; S-triphenylmethyl-2-aminoethanethiol; MFCD00822629; NSC-96704; 2-(triphenylmethylmercapto)-ethylamine; AKOS030214491; S-(triphenylmethyl) 2-aminoethanethiol; Ethanamine, 2-[(triphenylmethyl)thio]-; Triphenylmethyl-containing compound, 31; AS-63757; CS-0156531; D80342; A1-06792"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	96704	.	.	.	.	319.5	C21H21NS	51.3	279	4.6	23	1	2	6	"InChI=1S/C21H21NS/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17,22H2"	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCN	XZOWICPSVWHCTC-UHFFFAOYSA-N
DG51638	"Spiro(2.6)nonane-1,1,2,2-tetracarbonitrile"	263806	"Spiro(2.6)nonane-1,1,2,2-tetracarbonitrile; 93086-95-4; NSC98481; Spiro[2.6]nonane-1,1,2,2-tetracarbonitrile; UNII-4LTV4EUB33; 4LTV4EUB33; NSC 98481; tetracyanospiro[2.6]nonane; CHEMBL1980403; DTXSID60239258; ZINC1643791; NSC-98481; NCI60_042197"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98481	.	.	.	.	224.26	C13H12N4	95.2	465	2.1	17	0	4	0	"InChI=1S/C13H12N4/c14-7-12(8-15)11(13(12,9-16)10-17)5-3-1-2-4-6-11/h1-6H2"	C1CCCC2(CC1)C(C2(C#N)C#N)(C#N)C#N	OPWBKDAEAXHDSR-UHFFFAOYSA-N
DG51639	"6-Phenyl-5-[(e)-phenyldiazenyl]pyrimidine-2,4-diamine"	263983	"13491-71-9; 6-phenyl-5-[(e)-phenyldiazenyl]pyrimidine-2,4-diamine; NSC98710; DTXSID40294921; NSC-98710"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98710	.	.	.	.	290.32	C16H14N6	103	362	2.9	22	2	6	3	"InChI=1S/C16H14N6/c17-15-14(22-21-12-9-5-2-6-10-12)13(19-16(18)20-15)11-7-3-1-4-8-11/h1-10H,(H4,17,18,19,20)"	C1=CC=C(C=C1)C2=C(C(=NC(=N2)N)N)N=NC3=CC=CC=C3	LLHNBVSNRYDYGX-UHFFFAOYSA-N
DG51640	1-((2-Pyridinylmethyl)thio)acetone	264035	NSC98828; NSC-98828; 1-((2-pyridinylmethyl)thio)acetone; NCIStruc1_000166; NCIStruc2_000180; CHEMBL1330028; NCI98828; ZINC1648616; CCG-36292; NCGC00014024; NCGC00014024-02; NCGC00097133-01; NCI60_042207	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98828	.	.	.	.	181.26	C9H11NOS	55.3	150	1.1	12	0	3	4	"InChI=1S/C9H11NOS/c1-8(11)6-12-7-9-4-2-3-5-10-9/h2-5H,6-7H2,1H3"	CC(=O)CSCC1=CC=CC=N1	HDVYPXHPWJTNAK-UHFFFAOYSA-N
DG51641	2-((4-Methyl-2-quinolinyl)thio)-1-phenylethanone	264064	NSC98892; 13896-86-1; NSC-98892; 2-((4-methyl-2-quinolinyl)thio)-1-phenylethanone; NCIStruc1_000693; NCIStruc2_000640; CHEMBL1444652; ZINC76342; DTXSID20294949; NCI98892; CCG-36284; MFCD03459464; NCGC00014025; STK973247; AKOS002382534; MCULE-3450843742; NCGC00014025-02; NCGC00097134-01; NCI60_042210; 2-[(4-methylquinolin-2-yl)sulfanyl]-1-phenylethanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98892	.	.	.	.	293.4	C18H15NOS	55.3	353	4.8	21	0	3	4	"InChI=1S/C18H15NOS/c1-13-11-18(19-16-10-6-5-9-15(13)16)21-12-17(20)14-7-3-2-4-8-14/h2-11H,12H2,1H3"	CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=CC=CC=C3	BAELLMKYBZSECI-UHFFFAOYSA-N
DG51642	2-(6-Phenanthridinylthio)-1-phenylethanone	264067	NSC98905; 13896-97-4; NSC-98905; 2-(6-phenanthridinylthio)-1-phenylethanone; NCIStruc1_001451; NCIStruc2_001152; CHEMBL1368286; DTXSID90294951; NCI98905; ZINC1653697; CCG-36585; NCGC00014026; NCGC00014026-02; NCGC00097135-01; NCI60_042212; 2-(phenanthridin-6-ylthio)-1-phenylethanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98905	.	.	.	.	329.4	C21H15NOS	55.3	434	5.7	24	0	3	4	"InChI=1S/C21H15NOS/c23-20(15-8-2-1-3-9-15)14-24-21-18-12-5-4-10-16(18)17-11-6-7-13-19(17)22-21/h1-13H,14H2"	C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C4=CC=CC=C42	QRANKYBGAVSGHQ-UHFFFAOYSA-N
DG51643	(+)-Calycanthine	264115	"(+)-Calycanthine; 595-05-1; 21,24-dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene; (1S,2S,10S,11S)-21,24-Dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene; NSC99016; Prestwick_723; Prestwick0_000595; Prestwick1_000595; Prestwick2_000595; Oprea1_287195; 5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine, 5,6,11,12-tetrahydro-13,18-dimethyl-; MLS000728639; SPBio_002689; CHEMBL1981354; CHEBI:95133; DTXSID10974900; HMS1569H12; HMS2270J12; LSM-6401; NSC-99016; NCI60_042216; SMR000470815; DB-053402; Q27166918; 13,18-Dimethyl-5,6,11,12-tetrahydro-5,10b:11,4b-di(epiminoethano)dibenzo[c,h][2,6]naphthyridine; 5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine, 5,6,11,12-tetrahydro-13,18-dimethyl-, [4bS-(4b.alpha.,5.alpha.,10b.alpha.,11.alpha.)]-; 5,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine, 5,6,11,12-tetrahydro-13,18-dimethyl-; 5,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine, 5,6,11,12-tetrahydro-13,18-dimethyl-, [4bS-(4b.alpha.,5.alpha.,10b.alpha.,11.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99016	.	.	.	.	346.5	C22H26N4	30.5	531	3.9	26	2	4	0	"InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3"	CN1CCC23C4NC5=CC=CC=C5C2(C1NC6=CC=CC=C36)CCN4C	XSYCDVWYEVUDKQ-UHFFFAOYSA-N
DG51644	7-(Bromomethyl)-2h-chromen-2-one	264119	"7-(bromomethyl)-2h-chromen-2-one; 53878-12-9; NSC99027; 7-bromomethylcoumarin; 7-bromomethy1coumarin; 7-bromomethyl coumarin; 2H-1-Benzopyran-2-one, 7-(bromomethyl)-; NCIMech_000601; NCIOpen2_006425; SCHEMBL2978737; CHEMBL1971402; DTXSID50294972; ZINC1653780; CCG-35527; NSC-99027; 7-bromomethyl-2H-1-benzopyran-2-one; NCI60_042217"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99027	.	.	.	.	239.06	C10H7BrO2	26.3	237	1.9	13	0	2	1	"InChI=1S/C10H7BrO2/c11-6-7-1-2-8-3-4-10(12)13-9(8)5-7/h1-5H,6H2"	C1=CC(=CC2=C1C=CC(=O)O2)CBr	PIRJLYFMCACMRZ-UHFFFAOYSA-N
DG51645	"1-Bromo-N-cycloheptyl-1,1,1-triphenyl-lambda~5~-phosphanamine"	264143	"30866-86-5; NSC99060; CHEMBL2006992; DTXSID50294977; NSC-99060; ZINC73369622; 1-Bromo-N-cycloheptyl-1,1,1-triphenyl-lambda~5~-phosphanamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99060	.	.	.	.	454.4	C25H29BrNP	12	421	7.7	28	1	1	5	"InChI=1S/C25H29BrNP/c26-28(23-16-8-3-9-17-23,24-18-10-4-11-19-24,25-20-12-5-13-21-25)27-22-14-6-1-2-7-15-22/h3-5,8-13,16-22,27H,1-2,6-7,14-15H2"	C1CCCC(CC1)NP(C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)Br	PMTRLHZAJQQSTL-UHFFFAOYSA-N
DG51646	"Ethyl 3-hydroxy-2-(6-hydroxy-1,3-dimethyl-2,4-dioxo-pteridin-7-yl)propanoate"	264162	"NSC99087; CHEMBL1979600; NSC-99087; ethyl 3-hydroxy-2-(6-hydroxy-1,3-dimethyl-2,4-dioxo-pteridin-7-yl)propanoate; Ethyl 3-hydroxy-2-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropteridin-7-yl)propanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99087	.	.	.	.	324.29	C13H16N4O6	129	653	-1.7	23	2	7	5	"InChI=1S/C13H16N4O6/c1-4-23-12(21)6(5-18)7-10(19)15-8-9(14-7)16(2)13(22)17(3)11(8)20/h6,18H,4-5H2,1-3H3,(H,15,19)"	CCOC(=O)C(CO)C1=NC2=C(C(=O)N(C(=O)N2C)C)NC1=O	FVUORAMBNOOBRH-UHFFFAOYSA-N
DG51647	NSC100046	264743	"[(1R,6S,10R,11S)-3-methyl-9-methylidene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl] 2-methylprop-2-enoate; NSC100046"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	100046	.	.	.	.	360.4	C19H20O7	91.4	779	0.7	26	0	7	3	"InChI=1S/C19H20O7/c1-8(2)16(20)24-12-6-10-5-11(23-18(10)22)7-19(4)15(26-19)14-13(12)9(3)17(21)25-14/h5,11-15H,1,3,6-7H2,2,4H3/t11-,12-,13+,14-,15 ,19 /m0/s1"	CC(=C)C(=O)O[C@H]1CC2=C[C@@H](CC3(C(O3)[C@@H]4[C@@H]1C(=C)C(=O)O4)C)OC2=O	WIQOUTANBFOBPB-WILRRUMQSA-N
DG51648	"n,n-Dimethyl-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine"	264884	"MLS002703534; 20371-00-0; NSC100279; n,n-dimethyl-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine; NCIOpen2_006664; CHEMBL66909; DTXSID80942530; NSC-100279; SMR001570251"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	100279	.	.	.	.	294.31	C13H18N4O4	104	372	-0.5	21	3	7	3	"InChI=1S/C13H18N4O4/c1-16(2)11-7-3-4-17(12(7)15-6-14-11)13-10(20)9(19)8(5-18)21-13/h3-4,6,8-10,13,18-20H,5H2,1-2H3"	CN(C)C1=NC=NC2=C1C=CN2C3C(C(C(O3)CO)O)O	CYLYFNNDWSNWPM-UHFFFAOYSA-N
DG51649	Doxypyrromycin hydrochloride	264889	NSC100290; Doxypyrromycin hydrochloride; NSC-100290	.	.	Investigative Drug(s)	Investigative	Small molecular drug	100290	.	.	.	.	606.1	C30H36ClNO10	163	1020	.	42	5	11	6	"InChI=1S/C30H35NO10.ClH/c1-6-30(38)12-19(41-20-11-17(31(3)4)25(33)13(2)40-20)22-15(24(30)29(37)39-5)10-16-23(28(22)36)27(35)21-14(26(16)34)8-7-9-18(21)32;/h7-10,13,17,19-20,24-25,32-33,36,38H,6,11-12H2,1-5H3;1H/t13 ,17 ,19 ,20 ,24-,25 ,30+;/m1./s1"	CC[C@@]1(CC(C2=C(C3=C(C=C2[C@@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)O)N(C)C)O.Cl	KTSRCTOUNGGQEI-XBLNTETQSA-N
DG51650	Withaferin A	265237	"Withaferin A; 5119-48-2; Withaferine A; NSC 273757; UNII-L6DO3QW4K5; WITHAFERIN DERIV JPR, IOWA U. COMPOUND; NSC101088; L6DO3QW4K5; NSC-101088; Ashwagandha; CHEBI:69120; 4beta,27-dihydroxy-1-oxo-5beta,6beta-epoxywitha-2,24-dienolide; (1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one; (6S,7R,9R)-6-Hydroxy-15-[(2R,3R)-3-hydroxy-4-(4-methyl-5-oxo-2H-furan-3-yl)butan-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one; (4beta,5beta,6beta,22R)-4,27-dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione; BRN 1335150; 5.beta.-Ergosta-2, 5,6.beta.-epoxy-4.beta.,22,27-trihydroxy-1-oxo-, .delta.-lactone, (20S,22R)-; Ergosta-2, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, .delta.-lactone, (4.beta.,5.beta.,6.beta.,22R)-; 5-19-06-00604 (Beilstein Handbook Reference); MLS006010687; SCHEMBL157208; CHEMBL517080; 5,6-Epoxy-4,27-dihydroxy-1-oxowitha-2,24-dienolide; DTXSID10965459; Withaferin A, analytical standard; Withaferin A, >=95% (HPLC); HY-N2065; ZINC8234189; MFCD10687098; NSC273757; s8587; NSC-273757; NCGC00180796-02; (4beta,5beta,6beta,22R)-5,6-Epoxy-4,22,27-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid, delta-lactone; 5-beta-Ergosta-2,24-dien-26-oic acid, 5,6-beta-epoxy-4-beta,22,27-trihydroxy-1-oxo-, delta-lactone, (20S,22R)-; AS-77575; Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, gamma-lactone, (4bta,5beta,6beta,22R)-; NCI60_000031; SMR004701668; B7199; CS-0018562; Withaferin A 100 microg/mL in Acetonitrile; C08841; A871350; A1-06845; Q6606395; BRD-K88378636-001-01-0; 4,27-Dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione; WLN: T3 F5 E666 1A R AXO OV PU CH&TTTTJ J1 N1 RQ IY1&- FT6OV CUTJ C1Q D1; 5beta-Ergosta-2,24-dien-26-oic acid, 5,6beta-epoxy-4beta,22,27-trihydroxy-1-oxo-, delta-lactone, (20S,22R)- (8CI); Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-; NCGC00180796-02_C28H38O6_(4beta,5beta,6beta,22R)-4,27-Dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	101088	.	.	.	.	470.6	C28H38O6	96.4	999	3.8	34	2	6	3	"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1"	CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)CO	DBRXOUCRJQVYJQ-CKNDUULBSA-N
DG51651	2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid	265452	"18471-76-6; Anthranilic acid, N-[p-[bis(2-chloroethyl)amino]benzylidene]-; Benzoic acid, 2-[[[4-[bis(2-chloroethyl)amino]phenyl]methylene]amino]-; Anthranilic acid, N-(p-(bis(2-chloroethyl)amino)benzylidene)-; Benzoic acid, 2-(((4-(bis(2-chloroethyl)amino)phenyl)methylene)amino)-; 2-{[(e)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid; NSC101492; SCHEMBL3949968; CHEMBL1980154; DTXSID70295360; ZINC1667957; ZINC100372337; NSC-101492; NCI60_000044; 2-[((E)-(4-[Bis(2-chloroethyl)amino]phenyl)methylidene)amino]benzoic acid #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	101492	.	.	.	.	365.2	C18H18Cl2N2O2	52.9	406	4.1	24	1	4	8	"InChI=1S/C18H18Cl2N2O2/c19-9-11-22(12-10-20)15-7-5-14(6-8-15)13-21-17-4-2-1-3-16(17)18(23)24/h1-8,13H,9-12H2,(H,23,24)"	C1=CC=C(C(=C1)C(=O)O)N=CC2=CC=C(C=C2)N(CCCl)CCCl	MJQQQKFACWBDPW-UHFFFAOYSA-N
DG51652	"2-Chloro-3-(3-chloro-3-methylbutyl)naphthalene-1,4-dione"	265521	NSC101643; NCIOpen2_006753; ZINC1668090; NSC-101643	.	.	Investigative Drug(s)	Investigative	Small molecular drug	101643	.	.	.	.	297.2	C15H14Cl2O2	34.1	437	4.4	19	0	2	3	"InChI=1S/C15H14Cl2O2/c1-15(2,17)8-7-11-12(16)14(19)10-6-4-3-5-9(10)13(11)18/h3-6H,7-8H2,1-2H3"	CC(C)(CCC1=C(C(=O)C2=CC=CC=C2C1=O)Cl)Cl	MVFPWJMGSMYFJF-UHFFFAOYSA-N
DG51653	"2-(3,4-Dimethoxyphenyl)-3-hydroxy-7-methoxy-4H-chromen-4-one"	265724	"2-(3,4-Dimethoxyphenyl)-3-hydroxy-7-methoxy-4H-chromen-4-one; 58544-90-4; NSC102057; UNII-F9J53MVN3M; NSC-102057; F9J53MVN3M; CHEMBL77198; Fisetin 7,3',4'-trimethyl ether; NSC 102057; DTXSID40207258; ZINC1674582; 4H-1-Benzopyran-4-one,2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-; BDBM50064895; LMPK12111570; 3-Hydroxy-3',4',7-trimethoxyflavone; NCI60_000058; DS-005352; 2-(3,4-Dimethoxy-phenyl)-3-hydroxy-7-methoxy-chromen-4-one; 2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102057	.	.	.	.	328.3	C18H16O6	74.2	502	2.9	24	1	6	4	"InChI=1S/C18H16O6/c1-21-11-5-6-12-14(9-11)24-18(17(20)16(12)19)10-4-7-13(22-2)15(8-10)23-3/h4-9,20H,1-3H3"	COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)O	KSAJVJYHNOORPX-UHFFFAOYSA-N
DG51654	"Indeno[1,2-c]isochromene-5,11-dione"	265728	"Indeno[1,2-c]isochromene-5,11-dione; 5651-60-5; Benz[d]indeno[1,2-b]pyran-5,11-dione; Indeno(1,2-c)isochromene-5,11-dione; UNII-UPC5E8CVE7; NSC102064; UPC5E8CVE7; Benz(d)indeno(1,2-b)pyran-5,11-dione; NSC 102064; CHEMBL342436; SCHEMBL1308829; DTXSID80205056; HMS1608H18; ZINC154776; BBL028370; STK801831; 6-Oxa-benzo[a]fluorene-5,11-dione; AKOS000520750; MCULE-5284551847; NSC-102064; NCI60_000059; VS-08743; benz[d]indeno[1,2-b]pyran-5, 11-dione; indeno[1,2-c][2]benzopyran-5,11-dione; Indeno[1,2-c]isochromene-5,11-dione #; DS-009727; CS-0319825; EU-0002476; 5H,11H-indeno[1,2-c]isochromene-5,11-dione; A831240; SR-01000408142; SR-01000408142-1; BRD-K67380883-001-01-1; BENZ(D)INDENO(1,2-B)PYRAN-5,11-DIONE, 98 %"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102064	.	.	.	.	248.23	C16H8O3	43.4	476	2.8	19	0	3	0	InChI=1S/C16H8O3/c17-14-10-6-2-3-7-11(10)15-13(14)9-5-1-4-8-12(9)16(18)19-15/h1-8H	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)OC2=O	HVRWJPNEHHBGGY-UHFFFAOYSA-N
DG51655	"6-Methyl-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione"	265730	"5291-18-9; SU9AHM9WJW; UNII-SU9AHM9WJW; NSC102067; NSC 102067; 6-Methyl-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione; 6-Methyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione; 6-methylindeno[1,2-c]isoquinoline-5,11-dione; NCIOpen2_007022; CHEMBL399022; SCHEMBL16312476; DTXSID50200957; ZINC1674589; STL523936; 6H-Indeno[1,11-dione, 6-methyl-; AKOS030486282; NSC-102067; NCI60_000060; DS-005935; {6H-Indeno[1,2-c]isoquinoline-5,11-dione,} 6-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102067	.	.	.	.	261.269	C17H11NO2	37.4	507	2.4	20	0	2	0	"InChI=1S/C17H11NO2/c1-18-15-11-7-3-4-8-12(11)16(19)14(15)10-6-2-5-9-13(10)17(18)20/h2-9H,1H3"	CN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42	JUNQOARPKFNFHS-UHFFFAOYSA-N
DG51656	"6-(2-Aminophenyl)-5h-indeno[1,2-c]isoquinoline-5,11(6h)-dione"	265731	"15315-18-1; 6-(2-aminophenyl)-5h-indeno[1,2-c]isoquinoline-5,11(6h)-dione; NSC102068; CHEMBL1970411; DTXSID10295460; ZINC1674590; NSC-102068; NCI60_000061"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102068	.	.	.	.	338.4	C22H14N2O2	63.4	655	3.3	26	1	3	1	"InChI=1S/C22H14N2O2/c23-17-11-5-6-12-18(17)24-20-14-8-2-3-9-15(14)21(25)19(20)13-7-1-4-10-16(13)22(24)26/h1-12H,23H2"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)C5=CC=CC=C5N	RFRQLHAASBLMJW-UHFFFAOYSA-N
DG51657	"2-Chloro-3-(1h-indazol-6-ylamino)naphthalene-1,4-dione"	265940	"MLS000737237; SMR000528477; 22295-47-2; NSC-102742; 2-chloro-3-(1h-indazol-6-ylamino)naphthalene-1,4-dione; NSC102742; cid_265940; CHEMBL1519374; BDBM50640; DTXSID40295534; HMS2853B11; ZINC4822288; SR-01000761005; SR-01000761005-2; 2-chloro-3-(1H-indazol-6-ylamino)-1,4-naphthoquinone; 2-((1H-Indazol-6-yl)amino)-3-chloronaphthalene-1,4-dione; 2-[(1H-Indazol-6-yl)amino]-3-chloro-1,4-naphthoquinone; 2-chloranyl-3-(1H-indazol-6-ylamino)naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102742	.	.	.	.	323.7	C17H10ClN3O2	74.8	562	3.7	23	2	4	2	"InChI=1S/C17H10ClN3O2/c18-14-15(17(23)12-4-2-1-3-11(12)16(14)22)20-10-6-5-9-8-19-21-13(9)7-10/h1-8,20H,(H,19,21)"	C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC4=C(C=C3)C=NN4	NYOUWELKHWCYQM-UHFFFAOYSA-N
DG51658	"D-Arabinose, 5-O-trityl-tribenzoate"	265952	"13090-77-2; U 22265; DTXSID30926961; NSC102810; NSC-102810; D-ARABINOSE, 5-O-TRITYL-TRIBENZOATE; U-22265; 2,3,4-Tri-O-benzoyl-5-O-(triphenylmethyl)pentose"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102810	.	.	.	.	704.8	C45H36O8	105	1090	9.1	53	0	8	18	"InChI=1S/C45H36O8/c46-31-39(51-42(47)33-19-7-1-8-20-33)41(53-44(49)35-23-11-3-12-24-35)40(52-43(48)34-21-9-2-10-22-34)32-50-45(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-31,39-41H,32H2"	C1=CC=C(C=C1)C(=O)OC(COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(C(C=O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6	BBRNKMTYXKXVBD-UHFFFAOYSA-N
DG51659	"1H-Pyrazolo[4,3-d]pyrimidine, 7-amino-3-beta-D-ribofuranosyl-"	265953	"NSC102811; Neuro_000046; CHEMBL273712; SCHEMBL14074914; NSC-102811; NCI60_000075; 1H-Pyrazolo[4, 7-amino-3-.beta.-D-ribofuranosyl-; D-Ribitol,3-d]pyrimidin-3-yl)- 1,4-anhydro-, (S)-; 1H-Pyrazolo[4,3-d]pyrimidine, 7-amino-3-.beta.-D-ribofuranosyl-; 7-Amino-3-.beta.-D-ribofuranosyl-1H-pyrazolo(4,3-d)pyrimidine; 1-(7-Amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydropentitol #; D-Ribitol, 1-C-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102811	.	.	.	.	267.24	C10H13N5O4	150	335	-2.2	19	5	8	2	"InChI=1S/C10H13N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,7-9,16-18H,1H2,(H,14,15)(H2,11,12,13)"	C1=NC2=C(NN=C2C(=N1)N)C3C(C(C(O3)CO)O)O	KBHMEHLJSZMEMI-UHFFFAOYSA-N
DG51660	"1-(1,3-Dithiolan-2-yl)-4-trityloxybutane-2,3-diol"	265955	U 20043; CHEMBL1999770; NSC102814; NSC-102814; NCI60_000076; U-20043	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102814	.	.	.	.	452.6	C26H28O3S2	100	461	5.1	31	2	5	9	"InChI=1S/C26H28O3S2/c27-23(18-25-30-16-17-31-25)24(28)19-29-26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-25,27-28H,16-19H2"	C1CSC(S1)CC(C(COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)O	JFUBQIQBWASUOK-UHFFFAOYSA-N
DG51661	7-O-Methyl-epi-nogalarol	265956	NSC102815; 7-O-Methyl-epi-nogalarol; CHEMBL449934	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102815	.	.	.	.	599.6	C30H33NO12	193	1170	0.9	43	5	13	4	"InChI=1S/C30H33NO12/c1-29(39)9-14(40-5)15-10(19(29)27(38)41-6)7-11-16(22(15)34)23(35)17-13(32)8-12-25(18(17)21(11)33)42-28-24(36)20(31(3)4)26(37)30(12,2)43-28/h7-8,14,19-20,24,26,28,32,34,36-37,39H,9H2,1-6H3/t14-,19-,20-,24-,26+,28+,29+,30+/m0/s1"	C[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C5C(=CC(=C4C3=O)O)[C@@]6([C@@H]([C@H]([C@@H]([C@H](O5)O6)O)N(C)C)O)C)O)OC)O	HXCSJGHKDZKLKV-RLBMZFTPSA-N
DG51662	NSC102817	265957	"[(1R,3R,10R,11S)-3-methyl-9-methylidene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl] 3-methylbut-2-enoate; NSC102817"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102817	.	.	.	.	374.4	C20H22O7	91.4	803	1	27	0	7	3	"InChI=1S/C20H22O7/c1-9(2)5-14(21)25-13-7-11-6-12(24-19(11)23)8-20(4)17(27-20)16-15(13)10(3)18(22)26-16/h5-6,12-13,15-17H,3,7-8H2,1-2,4H3/t12-,13-,15+,16 ,17 ,20+/m0/s1"	CC(=CC(=O)O[C@H]1CC2=C[C@@H](C[C@@]3(C(O3)C4[C@@H]1C(=C)C(=O)O4)C)OC2=O)C	HSTUUCOYVIWGLJ-HIXZCNEVSA-N
DG51663	Phenyl 4-chloro-3-nitrobenzenesulfonate	266121	phenyl 4-chloro-3-nitrobenzenesulfonate; MLS002703767; 43001-57-6; NSC103231; SCHEMBL7179842; CHEMBL1729943; DTXSID10295602; ZINC1680255; AKOS024332302; MCULE-6940316361; NSC-103231; 2-nitro-4-phenoxysulfonylchloro-benzene; Phenyl 4-chloro-3-nitrobenzene sulfonate; SMR001570482; 3-nitro-4-chloro-benzene-sulfonic acid-phenylester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	103231	.	.	.	.	313.71	C12H8ClNO5S	97.6	438	3.5	20	0	5	3	"InChI=1S/C12H8ClNO5S/c13-11-7-6-10(8-12(11)14(15)16)20(17,18)19-9-4-2-1-3-5-9/h1-8H"	C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]	DXNLDBASBALMSX-UHFFFAOYSA-N
DG51664	"(4-Benzoyl-1,2,5-triphenylpyrrolidin-3-yl)-phenylmethanone"	266393	NSC103870; CHEMBL1972605; NSC-103870; NCI60_000095	.	.	Investigative Drug(s)	Investigative	Small molecular drug	103870	.	.	.	.	507.6	C36H29NO2	37.4	735	7.6	39	0	3	7	"InChI=1S/C36H29NO2/c38-35(28-20-10-3-11-21-28)31-32(36(39)29-22-12-4-13-23-29)34(27-18-8-2-9-19-27)37(30-24-14-5-15-25-30)33(31)26-16-6-1-7-17-26/h1-25,31-34H"	C1=CC=C(C=C1)C2C(C(C(N2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6	NYGBDPCHPYMGDG-UHFFFAOYSA-N
DG51665	Deoxycamptothecin	266552	"Deoxycamptothecin; Camptothecin-OH; NSC105132; SCHEMBL5803262; CHEMBL1975782; NSC-105132; NCI60_000126; 4-ethyl-1,12-dihydro-14h-pyrano[3',4':6,7]indolizino[1,2-b]-quinoline-3,14(4h)-dione; 4-Ethyl-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105132	.	.	.	.	332.4	C20H16N2O3	59.5	695	1.8	25	0	4	1	"InChI=1S/C20H16N2O3/c1-2-13-14-8-17-18-12(7-11-5-3-4-6-16(11)21-18)9-22(17)19(23)15(14)10-25-20(13)24/h3-8,13H,2,9-10H2,1H3"	CCC1C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2	PEZXVOHRDBYBFR-UHFFFAOYSA-N
DG51666	"2-(2-chloro-4,5-dimethoxyphenyl)-1-(1H-indol-3-yl)ethanone"	266625	"NSC105348; MLS000737246; 7000-47-7; NSC-105348; 2-(2-chloro-4,5-dimethoxyphenyl)-1-(1H-indol-3-yl)ethanone; NCIStruc1_001495; NCIStruc2_001038; CHEMBL1321660; DTXSID90295761; HMS2885L04; ZINC1686467; CCG-36602; NCGC00014071; NCI105348; NCGC00014071-02; NCGC00097180-01; NCI60_000127; SMR000528483"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105348	.	.	.	.	329.8	C18H16ClNO3	51.3	419	3.9	23	1	3	5	"InChI=1S/C18H16ClNO3/c1-22-17-8-11(14(19)9-18(17)23-2)7-16(21)13-10-20-15-6-4-3-5-12(13)15/h3-6,8-10,20H,7H2,1-2H3"	COC1=C(C=C(C(=C1)CC(=O)C2=CNC3=CC=CC=C32)Cl)OC	ODTNOZBHVIUBQB-UHFFFAOYSA-N
DG51667	"1-((4'-((1-Cyanocyclopentyl)amino)[1,1'-biphenyl]-4-yl)amino)cyclopentanecarbonitrile"	266698	"NSC105444; MLS002703823; NSC-105444; NCIStruc1_001337; NCIStruc2_001078; CHEMBL1742085; ZINC1686516; CCG-37439; NCGC00014073; NCI105444; 1-((4'-((1-cyanocyclopentyl)amino)[1,1'-biphenyl]-4-yl)amino)cyclopentanecarbonitrile; NCGC00014073-02; NCGC00097182-01; NCI60_000129; SMR001570537"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105444	.	.	.	.	370.5	C24H26N4	71.6	554	5.2	28	2	4	5	"InChI=1S/C24H26N4/c25-17-23(13-1-2-14-23)27-21-9-5-19(6-10-21)20-7-11-22(12-8-20)28-24(18-26)15-3-4-16-24/h5-12,27-28H,1-4,13-16H2"	C1CCC(C1)(C#N)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC4(CCCC4)C#N	DBCCRWIMQOCVFV-UHFFFAOYSA-N
DG51668	6-Bromochroman-2-one	266737	"6-bromochroman-2-one; 20921-00-0; 6-bromo-3,4-dihydrochromen-2-one; 6-bromo-2-chromanone; MLS002703831; 2H-1-Benzopyran-2-one, 6-bromo-3,4-dihydro-; MFCD13659375; 6-bromo-3,4-dihydro-2H-1-benzopyran-2-one; NSC105509; 6-bromo-2chromanone; 6-Bromo-chroman-2-one; NCIOpen2_007193; 6-bromo-3,4-dihydrocoumarin; SCHEMBL4596158; CHEMBL1870498; DTXSID30295780; BUTTPARK 35\\07-34; ZINC4962205; 0692AB; AKOS016005930; CS-W000845; LS40054; NSC-105509; SB35265; BC004269; DA-36403; DS-15230; NCI60_000131; SMR001570545; SY108538; DB-007136; FT-0742311; Y10639"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105509	.	.	.	.	227.05	C9H7BrO2	26.3	193	2.3	12	0	2	0	"InChI=1S/C9H7BrO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h2-3,5H,1,4H2"	C1CC(=O)OC2=C1C=C(C=C2)Br	FFZQWUVOIMYRKC-UHFFFAOYSA-N
DG51669	"6-(gamma,gamma-Dimethylallylamino)purine riboside"	266767	"N6-2-Isopentenyladenosine; Dimethylallyladenosine; NSC105546; N6-(.DELTA.2-Isopentenyl)adenosine; SQ 22,558; Isopentenyl adenine riboside; 6-(.gamma.,.gamma.-Dimethylallylamino)purine riboside; N-(3-Methyl-2-butenyl)adenosine; 9.beta.-D-Ribofuranosyl-9H-purine, N-(3-methyl-2-butenylamino)-; SQ 22558; ZK 20 242; MFCD00005741; SCHEMBL4600; 6-N-[(3-Methyl-2-butenyl)amino]-9.beta.-D-ribofuranosylpurine; 6-N-[(3-Methyl-2-butenyl)amino]-9-.beta.-D-ribofuranosyl-9H-purine; SB19217; SY077310; 6-(3,3-Dimethylallylamino)purine riboside; DB-056195; FT-0636577; 33156-15-9; 6-(3,3-Dimethylallylamino)-9-(beta-D-ribofuranosyl)purine; WLN: T56 BN DN FN HNJ IM2UY1&1 D- BT5OTJ CQ DQ E1Q; {6-N-[(3-Methyl-2-butenyl)amino]-9.beta.-D-ribofuranosylpurine}; {6-N-[(3-Methyl-2-butenyl)amino]-9-.beta.-D-ribofuranosyl-9H-purine}; 2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)purin-9-yl]tetrahydrofuran-3,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105546	.	.	.	.	335.36	C15H21N5O4	126	461	1.1	24	4	8	5	"InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)"	CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)C	USVMJSALORZVDV-UHFFFAOYSA-N
DG51670	"4-(hydroxy(oxido)amino)-2-(1H-1,2,4-triazol-5-yl)-1H-isoindole-1,3(2H)-dione"	266770	"NSC105550; NSC-105550; NCIStruc1_000735; NCIStruc2_000886; CHEMBL1358359; ZINC3954259; CCG-36264; NCGC00014075; NCI105550; NCGC00014075-02; NCGC00097184-01; NCI60_000134; 4-(hydroxy(oxido)amino)-2-(1H-1,2,4-triazol-5-yl)-1H-isoindole-1,3(2H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105550	.	.	.	.	259.18	C10H5N5O4	125	436	0.7	19	1	6	1	"InChI=1S/C10H5N5O4/c16-8-5-2-1-3-6(15(18)19)7(5)9(17)14(8)10-11-4-12-13-10/h1-4H,(H,11,12,13)"	C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=NC=NN3	BHQONEZYXUINHI-UHFFFAOYSA-N
DG51671	"6-Amino-7-bromo-5,8-quinolinedione"	266923	"14173-81-0; NSC105808; 6-Amino-7-bromo-5,8-quinolinedione; 6-amino-7-bromoquinoline-5,8-dione; MLS002701955; SMR001565537; NSC 105808; 5,8-Quinolinedione,6-amino-7-bromo-; 5, 6-amino-7-bromo-; NCIMech_000605; cid_266923; SCHEMBL2599174; CHEMBL1735482; BDBM80755; DTXSID90161816; ZINC1868226; CCG-35504; 6-amino-7-bromo-quinoline-5,8-dione; NSC-105808; 6-amino-7-bromo-quinoline-5,8-quinone; 6-azanyl-7-bromanyl-quinoline-5,8-dione; NCI60_000141; DS-005624"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105808	.	.	.	.	253.05	C9H5BrN2O2	73	338	1.1	14	1	4	0	"InChI=1S/C9H5BrN2O2/c10-5-6(11)8(13)4-2-1-3-12-7(4)9(5)14/h1-3H,11H2"	C1=CC2=C(C(=O)C(=C(C2=O)N)Br)N=C1	XZBBOHUCBTXJQY-UHFFFAOYSA-N
DG51672	"4-Dibenzo[b,d]thien-2-yl-4-oxobutanoic acid"	266944	"NSC105900; MLS002703854; 88878-79-9; NSC-105900; 4-dibenzo[b,d]thien-2-yl-4-oxobutanoic acid; NCIStruc1_000817; NCIStruc2_000881; SCHEMBL7823639; CHEMBL1440219; DTXSID10295864; ZINC393138; CCG-36262; NCGC00014079; NCI105900; AKOS024331808; MCULE-3149151093; NCGC00014079-02; NCGC00097188-01; NCI60_000143; SMR001570568; DS-005323"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105900	.	.	.	.	284.3	C16H12O3S	82.6	395	3.4	20	1	4	4	"InChI=1S/C16H12O3S/c17-13(6-8-16(18)19)10-5-7-15-12(9-10)11-3-1-2-4-14(11)20-15/h1-5,7,9H,6,8H2,(H,18,19)"	C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C(=O)CCC(=O)O	UBCRYOFHBJOPSS-UHFFFAOYSA-N
DG51673	"N-(1,3,7-tribromo-9H-fluoren-2-yl)acetamide"	267219	MLS002703908; NSC106360; CHEMBL1701928; ZINC1692046; NSC-106360; SMR001570621	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106360	.	.	.	.	460	C15H10Br3NO	29.1	391	4.8	20	1	1	1	"InChI=1S/C15H10Br3NO/c1-7(20)19-15-13(17)6-11-10-3-2-9(16)4-8(10)5-12(11)14(15)18/h2-4,6H,5H2,1H3,(H,19,20)"	CC(=O)NC1=C(C=C2C(=C1Br)CC3=C2C=CC(=C3)Br)Br	IRQURCHUNXLBRB-UHFFFAOYSA-N
DG51674	"2-Chloro-3-(3,5-dimethylmorpholin-4-yl)naphthalene-1,4-dione"	267286	"MLS002703917; 22359-31-5; SMR001570630; 2-chloro-3-(3,5-dimethylmorpholin-4-yl)naphthalene-1,4-dione; NSC106442; cid_267286; CHEMBL1734152; BDBM80080; DTXSID50295944; NSC-106442; SR-01000880398; SR-01000880398-2; 2-chloro-3-(3,5-dimethylmorpholino)-1,4-naphthoquinone; 2-chloro-3-(3,5-dimethyl-4-morpholinyl)naphthalene-1,4-dione; 2-chloranyl-3-(3,5-dimethylmorpholin-4-yl)naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106442	.	.	.	.	305.75	C16H16ClNO3	46.6	492	3.1	21	0	4	1	"InChI=1S/C16H16ClNO3/c1-9-7-21-8-10(2)18(9)14-13(17)15(19)11-5-3-4-6-12(11)16(14)20/h3-6,9-10H,7-8H2,1-2H3"	CC1COCC(N1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C	JGYJREAOLDRIGO-UHFFFAOYSA-N
DG51675	"2,5-Dipyridin-2-yl-1,3,4-thiadiazole"	267294	"MLS000737262; 2,5-dipyridin-2-yl-1,3,4-thiadiazole; 2726-92-3; SMR000444347; 2,5-bis(2-pyridyl)-1,3,4-thiadiazole; NSC106461; cid_267294; SCHEMBL1424929; CHEMBL1400881; DTXSID10295945; BDBM114773; HMS2781A14; ZINC1697077; 2,5-dipyridyl-[1,3,4]thiadiazole; NSC-106461; 2,5-Di(2-pyridyl)-1,3,4-thiadiazole; 2,5-bis(2-pyridinyl)-1,3,4-thiadiazole; CS-0243662; 2-[5-(PYRIDIN-2-YL)-1,3,4-THIADIAZOL-2-YL]PYRIDINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106461	.	.	.	.	240.29	C12H8N4S	79.8	227	1.6	17	0	5	2	InChI=1S/C12H8N4S/c1-3-7-13-9(5-1)11-15-16-12(17-11)10-6-2-4-8-14-10/h1-8H	C1=CC=NC(=C1)C2=NN=C(S2)C3=CC=CC=N3	BGORQFGAWSNEBU-UHFFFAOYSA-N
DG51676	"1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea"	267343	"15145-42-3; 1-(2-chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea; NSC106531; CHEMBL1972803; DTXSID00295959; Urea,4-dichlorophenyl)-1-nitroso-; ZINC4963076; NSC-106531; NCI60_000154"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106531	.	.	.	.	296.5	C9H8Cl3N3O2	61.8	280	3.9	17	1	3	3	"InChI=1S/C9H8Cl3N3O2/c10-3-4-15(14-17)9(16)13-6-1-2-7(11)8(12)5-6/h1-2,5H,3-4H2,(H,13,16)"	C1=CC(=C(C=C1NC(=O)N(CCCl)N=O)Cl)Cl	NCLKIDZGWJFIDA-UHFFFAOYSA-N
DG51677	3-{[Hexopyranosyl-(1->3)pentopyranosyl-(1->2)pentopyranosyl-(1->2)pentopyranosyl]oxy}-16-hydroxyolean-12-en-28-oic acid	267361	25480-74-4; CHEMBL1997088; DTXSID10948368; NSC106554; NSC-106554; 3-{[hexopyranosyl-(1->3)pentopyranosyl-(1->2)pentopyranosyl-(1->2)pentopyranosyl]oxy}-16-hydroxyolean-12-en-28-oic acid; NCI60_000156	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106554	.	.	.	.	1031.2	C51H82O21	334	1990	0.7	72	12	21	10	"InChI=1S/C51H82O21/c1-46(2)14-15-51(45(63)64)23(16-46)22-8-9-29-48(5)12-11-31(47(3,4)28(48)10-13-49(29,6)50(22,7)17-30(51)56)69-43-39(32(57)24(53)19-66-43)72-44-40(33(58)25(54)20-67-44)71-41-37(62)38(26(55)21-65-41)70-42-36(61)35(60)34(59)27(18-52)68-42/h8,23-44,52-62H,9-21H2,1-7H3,(H,63,64)"	CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(CO6)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)OC9C(C(C(C(O9)CO)O)O)O)O)C)C(=O)O)C	ZMEIKTTXONUYNX-UHFFFAOYSA-N
DG51678	"Urea, 1,1-bis(2-bromoethyl)-3-(1-naphthyl)-"	267555	"1,1-Bis(2-bromoethyl)-3-(1-naphthyl)urea; Urea, 1,1-bis(2-bromoethyl)-3-(1-naphthyl)-; 102434-11-7; NSC106907; CHEMBL1989199; DTXSID00145142; ZINC1698083; NSC-106907"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106907	.	.	.	.	400.11	C15H16Br2N2O	32.299	308	3.2	20	1	1	5	"InChI=1S/C15H16Br2N2O/c16-8-10-19(11-9-17)15(20)18-14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2,(H,18,20)"	C1=CC=C2C(=C1)C=CC=C2NC(=O)N(CCBr)CCBr	HVUKGCFZISLAKF-UHFFFAOYSA-N
DG51679	NSC106909	267557	"(8R,9S,13S,14S)-3-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]oxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one; 22966-82-1; NSC106909; SCHEMBL2682703; DTXSID80945667; NSC-106909; 3-{[4,6-Bis(aziridin-1-yl)-1,3,5-triazin-2-yl]oxy}estra-1(10),2,4-trien-17-one; Estra-1,5[10]-trien-17-one, 3-[[4,6-bis(1-aziridinyl)-1,3,5-triazin-2-yl]oxy]-; Estra-1,5[10]-trien-17-one, 3-[[4,6-bis(1-aziridinyl)-s-triazin-2-yl]oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106909	.	.	.	.	431.5	C25H29N5O2	71	737	3.9	32	0	7	4	"InChI=1S/C25H29N5O2/c1-25-9-8-18-17-5-3-16(14-15(17)2-4-19(18)20(25)6-7-21(25)31)32-24-27-22(29-10-11-29)26-23(28-24)30-12-13-30/h3,5,14,18-20H,2,4,6-13H2,1H3/t18-,19-,20+,25+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC5=NC(=NC(=N5)N6CC6)N7CC7	JCBUOSRYPMXDEE-PUFAWVJESA-N
DG51680	"4-[(6-Methoxypyridazin-3-yl)amino]naphthalene-1,2-dione"	267581	"25107-70-4; 4-[(6-methoxypyridazin-3-yl)amino]naphthalene-1,2-dione; NSC107043; CHEMBL1975022; DTXSID10296018; ZINC1698116; NSC-107043; NCI60_000170; 4-[6-Methoxypyridazinyl-3-amino]-1,2-naphthoquinone; 4-[(4-Methoxy-3-pyridazinyl)amino]-1,2-naphthalenedione #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	107043	.	.	.	.	281.27	C15H11N3O3	81.2	463	1.3	21	1	6	3	"InChI=1S/C15H11N3O3/c1-21-14-7-6-13(17-18-14)16-11-8-12(19)15(20)10-5-3-2-4-9(10)11/h2-8H,1H3,(H,16,17)"	COC1=NN=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32	QQLHEWWXBASUQZ-UHFFFAOYSA-N
DG51681	3-Hydroxycard-20(22)-enolide	267603	5672-23-1; 3-hydroxycard-20(22)-enolide; NSC107129; DTXSID90972166; NSC-107129	.	.	Investigative Drug(s)	Investigative	Small molecular drug	107129	.	.	.	.	358.5	C23H34O3	46.5	639	5	26	1	3	1	"InChI=1S/C23H34O3/c1-22-9-7-16(24)12-15(22)3-4-17-19-6-5-18(14-11-21(25)26-13-14)23(19,2)10-8-20(17)22/h11,15-20,24H,3-10,12-13H2,1-2H3"	CC12CCC(CC1CCC3C2CCC4(C3CCC4C5=CC(=O)OC5)C)O	SNNJOYYRZHOKFM-UHFFFAOYSA-N
DG51682	Virosecurinine	267769	"Allosecurinin; Virosecurinine; 884-68-4; Phyllochrysine; 1857-30-3; Allosecurinine; 14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one; Securinin; Securinan-11-one; 8H-6,11b-Methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one,9,10,11,11a-tetrahydro-, (6S,11aS,11bS)-; Viroallosecurinine; NSC107414; NSC107415; Securinine, (-)-; 2-Allosecurinine; Securan-11-one; 2-Allosecurinine (8CI); Allasecurinine; NSC107413; (7beta,9beta)securinan-11-one; NSC-107413; Securinan-11-one, (2.alpha.)-; Securinan-11-one, (7beta,9beta)-; NSC 107415; Oprea1_546685; CHEMBL1965517; SCHEMBL15426160; CHEBI:181210; HMS1607C11; HMS3373F18; NSC326131; AKOS015960902; MCULE-1313869504; NSC 326131; NSC-107414; NSC-107415; NSC-326131; Securinan-11-one, (2alpha)- (9CI); AC-12486; NCI60_000177; NCI60_000178; NCI60_000179; XA176463; FT-0776207; BRD-A08521080-001-01-5; 14-oxa-7-azatetracyclo[6.6.1.0 ,  .0 , ]pentadeca-9,11-dien-13-one; Benzofurano[7a,7,6-a,b]indolisin-2(1H)-one, 5a,7,8,9,10,10a,10b,11-octahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	107413	.	.	.	.	217.26	C13H15NO2	29.5	426	1.1	16	0	3	0	"InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2"	C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4	SWZMSZQQJRKFBP-UHFFFAOYSA-N
DG51683	Solypertine tartrate	267773	"Solypertine tartrate; UNII-LGH2D06D4K; 5591-43-5; NSC107432; LGH2D06D4K; Solypertine tartrate [USAN]; WIN 18,413-2; Solypertine tartrate (USAN); WIN 18413-2; MLS002703972; NSC-107432; 1-(2-Anisyl)-4-(2-(5,6-methylenedioxy-3-indolyl)ethyl)piperazine d-tartrate; NSC 107432; Solypertine d-tartrate; SCHEMBL612896; 7-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)-5H-1,3-dioxolo(4,5-f)indole tartrate; (2R,3R)-2,3-dihydroxybutanedioic acid; 7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5H-[1,3]dioxolo[4,5-f]indole; 7-(2-(4-(o-Methoxyphenyl)-1-piperazinyl)ethyl)-5H-1,3-dioxolo-(4,5-f)-indole tartrate (1:1); D05880; Q27282972; WLN: T C565 DO FO LN EHJ L2- AT6N DNTJ DR BO1 &QVYQYQVQ; 7-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-5H-1,5-f]indole tartrate; 5H-1,3-Dioxolo(4,5-f)indole, 7-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-, tartrate; 5H-1,5-f]indole, 7-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl-,tartrate; 5H-1,5-f]indole, 7-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-, tartrate; 5H-1,5-f]indole, 7-[2-[4-(o-methoxyphenyl)-1-piperazinyl]ethyl]-, tartrate (1:1); 7-[2-[4-(o-Methoxyphenyl)-1-piperazinyl]ethyl]-5H-1,5-f]indole tartrate (1:1); 2,3-dihydroxybutanedioic acid;7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5H-[1,3]dioxolo[4,5-f]indole; 5H-1,3-Dioxolo(4,5-f)indole, 7-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1); 5H-1,5-f]indole, 7-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1); Butanedioic acid, 2,3-dihydroxy-, (2R,3R)-, compd. with 7-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-5H-1,3-dioxolo[4,5-f]indole (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	107432	.	.	.	.	529.5	C26H31N3O9	165	647	.	38	5	11	8	"InChI=1S/C22H25N3O3.C4H6O6/c1-26-20-5-3-2-4-19(20)25-10-8-24(9-11-25)7-6-16-14-23-18-13-22-21(12-17(16)18)27-15-28-22;5-1(3(7)8)2(6)4(9)10/h2-5,12-14,23H,6-11,15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1"	COC1=CC=CC=C1N2CCN(CC2)CCC3=CNC4=CC5=C(C=C43)OCO5.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O	FDYHSJCNTRLQCR-LREBCSMRSA-N
DG51684	6-Oxochelidonine	268004	"6-Oxochelidonine; 548-10-7; 12-hydroxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-23-one; 14-Chelidoninone; EINECS 208-942-6; NSC108018; CHEMBL1978291; DTXSID90970142; NSC-108018; NCI60_000191"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	108018	.	.	.	.	367.4	C20H17NO6	77.5	630	1.8	27	1	6	0	"InChI=1S/C20H17NO6/c1-21-18-11-6-15-14(25-7-26-15)5-9(11)4-12(22)16(18)10-2-3-13-19(27-8-24-13)17(10)20(21)23/h2-3,5-6,12,16,18,22H,4,7-8H2,1H3"	CN1C2C(C(CC3=CC4=C(C=C23)OCO4)O)C5=C(C1=O)C6=C(C=C5)OCO6	UPVAYLMWVRMHNE-UHFFFAOYSA-N
DG51685	2-[2-(Aziridin-1-yl)ethoxy]quinoline	268715	MLS000766228; NSC109084; CHEMBL1301114; ZINC1701199; NSC-109084; SMR000528844	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109084	.	.	.	.	214.26	C13H14N2O	25.1	230	1.9	16	0	3	4	"InChI=1S/C13H14N2O/c1-2-4-12-11(3-1)5-6-13(14-12)16-10-9-15-7-8-15/h1-6H,7-10H2"	C1CN1CCOC2=NC3=CC=CC=C3C=C2	AREVUFJFOXNHIR-UHFFFAOYSA-N
DG51686	NSC109128	268745	"[17-Acetyl-16-(aziridin-1-yl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate; NSC109128; MLS002704125; 19459-60-0; NSC-109128; CHEMBL1704443; SCHEMBL20149729; DTXSID80296404; [17-acetyl-16-(aziridin-1-yl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate; NCI60_000213; SMR001570831; 16-(1-aziridinyl)-12,20-dioxopregnan-3-yl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109128	.	.	.	.	415.6	C25H37NO4	63.4	775	3.1	30	0	5	4	"InChI=1S/C25H37NO4/c1-14(27)23-21(26-9-10-26)12-20-18-6-5-16-11-17(30-15(2)28)7-8-24(16,3)19(18)13-22(29)25(20,23)4/h16-21,23H,5-13H2,1-4H3"	CC(=O)C1C(CC2C1(C(=O)CC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)N5CC5	WRCFYFRXAYMSAE-UHFFFAOYSA-N
DG51687	NSC109131	268748	"10,13-Dimethyl-17-[2-(6-methylsulfanylpurin-9-yl)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; NSC109131; MLS002701958; 21170-27-4; 10,13-dimethyl-17-[2-(6-methylsulfanylpurin-9-yl)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; (8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-[2-(6-methylsulfanylpurin-9-yl)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; 21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione; CHEMBL1714096; DTXSID10943499; NCI60_000214; SMR001565539; 21-(6-(methylthio)-9H-purin-9-yl)pregn-4-ene-3,20-dione; 10,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109131	.	.	.	.	478.7	C27H34N4O2S	103	894	4.3	34	0	6	4	"InChI=1S/C27H34N4O2S/c1-26-10-8-17(32)12-16(26)4-5-18-19-6-7-21(27(19,2)11-9-20(18)26)22(33)13-31-15-30-23-24(31)28-14-29-25(23)34-3/h12,14-15,18-21H,4-11,13H2,1-3H3"	CC12CCC3C(C1CCC2C(=O)CN4C=NC5=C4N=CN=C5SC)CCC6=CC(=O)CCC36C	ROIIRSXXBFLNGZ-UHFFFAOYSA-N
DG51688	2-[(Tert-butylamino)-phenylmethyl]-1-phenylprop-2-en-1-one	268761	MLS002704133; 7204-42-4; NSC109155; CHEMBL1723350; DTXSID90296410; NSC-109155; SMR001570839	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109155	.	.	.	.	293.4	C20H23NO	29.1	381	4.3	22	1	2	6	"InChI=1S/C20H23NO/c1-15(19(22)17-13-9-6-10-14-17)18(21-20(2,3)4)16-11-7-5-8-12-16/h5-14,18,21H,1H2,2-4H3"	CC(C)(C)NC(C1=CC=CC=C1)C(=C)C(=O)C2=CC=CC=C2	UNCAQULQGYCEFW-UHFFFAOYSA-N
DG51689	"1-(3-((Dicyclohexylamino)methyl)-2,4-dihydroxyphenyl)ethanone"	268806	"NSC109248; NSC-109248; NCIStruc1_001379; NCIStruc2_001026; CHEMBL1373954; 1-(3-((dicyclohexylamino)methyl)-2,4-dihydroxyphenyl)ethanone; CCG-36587; NCGC00014103; NCI109248; ZINC31670202; NCGC00014103-02; NCGC00097212-01; NCI60_000218"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109248	.	.	.	.	345.5	C21H31NO3	60.8	411	4.9	25	2	4	5	"InChI=1S/C21H31NO3/c1-15(23)18-12-13-20(24)19(21(18)25)14-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h12-13,16-17,24-25H,2-11,14H2,1H3"	CC(=O)C1=C(C(=C(C=C1)O)CN(C2CCCCC2)C3CCCCC3)O	NGJJEZVCTSGDRK-UHFFFAOYSA-N
DG51690	"n,n-Bis{[(4-chlorophenyl)sulfanyl]methyl}-2,4,4-trimethylpentan-2-amine"	268812	"67857-76-5; NSC109254; n,n-bis{[(4-chlorophenyl)sulfanyl]methyl}-2,4,4-trimethylpentan-2-amine; DTXSID00296421; ZINC31670205; NSC-109254; DS-002147; N,N-BIS[(4-CHLOROPHENYL)SULFANYLMETHYL]-2,4,4-TRIMETHYL-PENTAN-2-AMINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109254	.	.	.	.	442.5	C22H29Cl2NS2	53.8	397	8.8	27	0	3	9	"InChI=1S/C22H29Cl2NS2/c1-21(2,3)14-22(4,5)25(15-26-19-10-6-17(23)7-11-19)16-27-20-12-8-18(24)9-13-20/h6-13H,14-16H2,1-5H3"	CC(C)(C)CC(C)(C)N(CSC1=CC=C(C=C1)Cl)CSC2=CC=C(C=C2)Cl	VGEPVMWVSYKROM-UHFFFAOYSA-N
DG51691	2-Chloro-6-((2-chloro-4-methyl-6-quinolinyl)methyl)-4-methylquinoline	268954	NSC109451; Bis(2-chloro-4-methyl-6-quinolyl)methane; MLS000737693; NSC-109451; 500349-71-3; NCIStruc1_001523; NCIStruc2_001146; CHEMBL1328109; SCHEMBL14286188; HMS2884F05; ZINC1701460; AC9642; CCG-36966; MFCD32632533; NCGC00014105; NCI109451; 2-chloro-6-((2-chloro-4-methyl-6-quinolinyl)methyl)-4-methylquinoline; NCGC00014105-02; NCGC00097214-01; NCI60_000227; SMR000528505; SY251353	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109451	.	.	.	.	367.3	C21H16Cl2N2	25.8	419	7	25	0	2	2	"InChI=1S/C21H16Cl2N2/c1-12-7-20(22)24-18-5-3-14(10-16(12)18)9-15-4-6-19-17(11-15)13(2)8-21(23)25-19/h3-8,10-11H,9H2,1-2H3"	CC1=CC(=NC2=C1C=C(C=C2)CC3=CC4=C(C=C3)N=C(C=C4C)Cl)Cl	RVHRUJSUMLKIHE-UHFFFAOYSA-N
DG51692	"17-[1-[2-(Dimethylamino)ethylamino]ethyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol"	268993	"NSC109509; MLS002701960; 72-37-7; NSC-109509; CHEMBL1713367; DTXSID10992684; MCULE-8970035389; NCI60_000230; SMR001565541; 17-(1-((2-(dimethylamino)ethyl)amino)ethyl)estra-1,3,5(10)-trien-3-ol; 20-{[2-(Dimethylamino)ethyl]amino}-19-norpregna-1(10),2,4-trien-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109509	.	.	.	.	370.6	C24H38N2O	35.5	509	5.2	27	2	3	5	"InChI=1S/C24H38N2O/c1-16(25-13-14-26(3)4)22-9-10-23-21-7-5-17-15-18(27)6-8-19(17)20(21)11-12-24(22,23)2/h6,8,15-16,20-23,25,27H,5,7,9-14H2,1-4H3"	CC(C1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C)NCCN(C)C	OQLPSYJNZRYLOQ-UHFFFAOYSA-N
DG51693	"3-((1,3-benzodioxol-5-ylmethylene)amino)-6H-benzo[c]chromen-6-one"	269048	"NSC109593; NSC-109593; NCIStruc1_001430; NCIStruc2_000996; CHEMBL1362657; CHEMBL1965651; 3-((1,3-benzodioxol-5-ylmethylene)amino)-6H-benzo[c]chromen-6-one; CCG-36656; NCGC00014109; NCI109593; ZINC18086586; ZINC100136967; NCGC00014109-02; NCGC00097218-01; NCI60_000232"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109593	.	.	.	.	343.3	C21H13NO4	57.1	564	4.2	26	0	5	2	"InChI=1S/C21H13NO4/c23-21-17-4-2-1-3-15(17)16-7-6-14(10-19(16)26-21)22-11-13-5-8-18-20(9-13)25-12-24-18/h1-11H,12H2"	C1OC2=C(O1)C=C(C=C2)C=NC3=CC4=C(C=C3)C5=CC=CC=C5C(=O)O4	VQEBKHUPMSDMKM-UHFFFAOYSA-N
DG51694	"2-(Dodecylsulfanyl)-1,4-benzoquinone"	269320	"2-(dodecylsulfanyl)-1,4-benzoquinone; 2-dodecylsulfanylcyclohexa-2,5-diene-1,4-dione; 55034-75-8; NSC110101; SCHEMBL8933181; DTXSID50296592; 2-(Dodecylthio)-1,4-benzoquinone; 2-(dodecylthio)benzo-1,4-quinone; ZINC1702723; MCULE-6713066050; NSC-110101"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	110101	.	.	.	.	308.5	C18H28O2S	59.4	383	6.3	21	0	3	12	"InChI=1S/C18H28O2S/c1-2-3-4-5-6-7-8-9-10-11-14-21-18-15-16(19)12-13-17(18)20/h12-13,15H,2-11,14H2,1H3"	CCCCCCCCCCCCSC1=CC(=O)C=CC1=O	RIINWLSYFUDXFV-UHFFFAOYSA-N
DG51695	4-Methylquinazolin-2-amine	269325	"4-methylquinazolin-2-amine; 6141-02-2; 4-methyl-2-quinazolinamine; NSC110275; 2-AMINO-4-METHYLQUINAZOLINE; CHEMBL1441434; NSC-110275; methyl-[amino]quinazoline; NCIStruc1_000219; NCIStruc2_000138; Oprea1_804244; SCHEMBL377227; 2-Quinazolinamine, 4-methyl-; DTXSID10296593; ZINC548469; 9205AB; BDBM50241663; CCG-37993; MFCD03164950; NCGC00014114; NCI110275; STK023736; AKOS005379039; MCULE-1133037834; NCGC00014114-02; NCGC00097223-01; NCI60_000243; DB-072951; FT-0766157"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	110275	.	.	.	.	159.19	C9H9N3	51.8	160	1.7	12	1	3	0	"InChI=1S/C9H9N3/c1-6-7-4-2-3-5-8(7)12-9(10)11-6/h2-5H,1H3,(H2,10,11,12)"	CC1=NC(=NC2=CC=CC=C12)N	RWDYNDCLJPWKJU-UHFFFAOYSA-N
DG51696	"7-amino-5-imino-1H-quinoline-2,8-dione"	269624	NSC111041; CHEMBL1985550; CHEMBL4470500; NSC-111041; NCIMech_000263; SCHEMBL18266877; SCHEMBL23483668; BDBM50279937; BDBM50518351; CCG-35342; NCI60_000252	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111041	.	.	.	.	189.17	C9H7N3O2	96	455	-0.7	14	3	4	0	"InChI=1S/C9H7N3O2/c10-5-3-6(11)9(14)8-4(5)1-2-7(13)12-8/h1-3,10H,11H2,(H,12,13)"	C1=CC(=O)NC2=C1C(=N)C=C(C2=O)N	ANVZLQYKEGNGGD-UHFFFAOYSA-N
DG51697	Bis(4-chlorophenyl) carbonotrithioate	269665	NSC111118; MLS000737716; 24455-29-6; bis(4-chlorophenyl) carbonotrithioate; SCHEMBL9542565; CHEMBL1527310; DTXSID40296708; ZINC1703109; NSC-111118; SMR000444401; Trithiocarbonic acid bis(4-chlorophenyl) ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111118	.	.	.	.	331.3	C13H8Cl2S3	82.7	243	6.6	18	0	3	4	InChI=1S/C13H8Cl2S3/c14-9-1-5-11(6-2-9)17-13(16)18-12-7-3-10(15)4-8-12/h1-8H	C1=CC(=CC=C1SC(=S)SC2=CC=C(C=C2)Cl)Cl	GUUHSHAWOOMFMF-UHFFFAOYSA-N
DG51698	"2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-, ethyl ester"	269666	"NSC111119; 82235-61-8; 2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-, ethyl ester; NCIMech_000367; CHEMBL1979979; DTXSID00296709; ZINC1703110; CCG-35506; NSC-111119; NCI60_000254; DS-004108; 2-Oxo-5,7-dimethoxy-2H-1-benzopyran-3-carboxylic acid ethyl ester; 2H-1-Benzopyran-3-carboxylic acid,7-dimethoxy-2-oxo-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111119	.	.	.	.	278.26	C14H14O6	71.1	416	2.3	20	0	6	5	"InChI=1S/C14H14O6/c1-4-19-13(15)10-7-9-11(18-3)5-8(17-2)6-12(9)20-14(10)16/h5-7H,4H2,1-3H3"	CCOC(=O)C1=CC2=C(C=C(C=C2OC)OC)OC1=O	ASYOKKGAMBQUSB-UHFFFAOYSA-N
DG51699	"4-(4-Diethylamino-O-tolylimino)-1,4-dihydro-4'-ME-sulfonyl-1-oxonaphthanilide"	269678	"NSC111135; ZINC17860780; AKOS024429188; ZINC104087371; ZINC254402225; MCULE-3134661840; NSC-111135; 4-(4-DIETHYLAMINO-O-TOLYLIMINO)-1,4-DIHYDRO-4'-ME-SULFONYL-1-OXONAPHTHANILIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111135	.	.	.	.	515.6	C29H29N3O4S	104	1000	4.8	37	1	6	7	"InChI=1S/C29H29N3O4S/c1-5-32(6-2)21-13-16-26(19(3)17-21)31-27-18-25(28(33)24-10-8-7-9-23(24)27)29(34)30-20-11-14-22(15-12-20)37(4,35)36/h7-18H,5-6H2,1-4H3,(H,30,34)"	CCN(CC)C1=CC(=C(C=C1)N=C2C=C(C(=O)C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)S(=O)(=O)C)C	KSNPXYUZNGIFGX-UHFFFAOYSA-N
DG51700	"1H-Indole-2,3-dione,3-[2-(2-pyridinyl)hydrazone]"	269887	"MLS002706413; 20144-03-0; NSC111580; CBDivE_010867; CHEMBL1717805; CHEMBL1982906; DTXSID90419041; ZINC7993885; MCULE-3782897128; NSC-111580; NCI60_000258; SMR001573820; DS-002931; SR-01000195631; SR-01000195631-1; 1H-INDOLE-2,3-DIONE,3-[2-(2-PYRIDINYL)HYDRAZONE]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111580	.	.	.	.	238.24	C13H10N4O	73.6	309	3.1	18	2	4	2	"InChI=1S/C13H10N4O/c18-13-12(9-5-1-2-6-10(9)15-13)17-16-11-7-3-4-8-14-11/h1-8,15,18H"	C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=CC=CC=N3	RAKUQDIILFQMQB-UHFFFAOYSA-N
DG51701	4-(1-Adamantylsulfonyl)aniline	269930	68748-86-7; 4-(1-adamantylsulfonyl)aniline; NSC111650; CHEMBL1997081; DTXSID80296808; ZINC4824014; NSC-111650	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111650	.	.	.	.	291.4	C16H21NO2S	68.5	444	3.2	20	1	3	2	"InChI=1S/C16H21NO2S/c17-14-1-3-15(4-2-14)20(18,19)16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10,17H2"	C1C2CC3CC1CC(C2)(C3)S(=O)(=O)C4=CC=C(C=C4)N	DKRQODSPBOIAOG-UHFFFAOYSA-N
DG51702	"4-(Tricyclo[3.3.1.13,7]dec-1-ylsulfanyl)aniline"	269934	"56714-88-6; 4-(tricyclo[3.3.1.13,7]dec-1-ylsulfanyl)aniline; NSC111654; CHEMBL1998672; SCHEMBL11447125; DTXSID10296811; ZINC4824016; NSC-111654"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111654	.	.	.	.	259.399	C16H21NS	51.3	278	4.4	18	1	2	2	"InChI=1S/C16H21NS/c17-14-1-3-15(4-2-14)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10,17H2"	C1C2CC3CC1CC(C2)(C3)SC4=CC=C(C=C4)N	HPAYYLFYRXTNJK-UHFFFAOYSA-N
DG51703	"3-(hydroxymethyl)-5-(6-(methylthio)-9H-purin-9-yl)-1,4-dioxane-2,6-diol"	269951	"NSC111702; 51112-62-0; 3-(hydroxymethyl)-5-(6-(methylthio)-9H-purin-9-yl)-1,4-dioxane-2,6-diol; NSC-111702; CHEMBL1998204; DTXSID50296815; 3-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)-1,4-dioxane-2,6-diol; NCI60_000261; DS-004610; A7588; N-Methyl(1,3,5-trimethyl-1H-pyrazol-4-yl)methanamine; p-Dioxane-2-methanol,5-dihydroxy-6-[6-(methylthio)-9H-purin-9-yl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111702	.	.	.	.	314.32	C11H14N4O5S	148	368	0.2	21	3	9	3	"InChI=1S/C11H14N4O5S/c1-21-8-6-7(12-3-13-8)15(4-14-6)9-11(18)20-10(17)5(2-16)19-9/h3-5,9-11,16-18H,2H2,1H3"	CSC1=NC=NC2=C1N=CN2C3C(OC(C(O3)CO)O)O	PWMJKSRDVJZIRU-UHFFFAOYSA-N
DG51704	16-[(Aziridin-1-yl)methyl]-17-oxoandrost-5-en-3-yl acetate	270053	10475-00-0; DTXSID40909169; NSC112147; NSC-112147; 16-[(Aziridin-1-yl)methyl]-17-oxoandrost-5-en-3-yl acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112147	.	.	.	.	385.5	C24H35NO3	46.4	725	3.7	28	0	4	4	"InChI=1S/C24H35NO3/c1-15(26)28-18-6-8-23(2)17(13-18)4-5-19-20(23)7-9-24(3)21(19)12-16(22(24)27)14-25-10-11-25/h4,16,18-21H,5-14H2,1-3H3"	CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(C4=O)CN5CC5)C)C	CJUKMDBJDPZAEN-UHFFFAOYSA-N
DG51705	Cucurbitacin K	270061	"Cucurbitacin K; 6766-43-4; NSC112166; 2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione; 2,16,20,24,25-pentahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione; CHEMBL1984707; DTXSID20987026; 2,16-Dihydroxy-4,4,9,14-tetramethyl-17-(1,4,5-trihydroxy-1,5-dimethyl-2-oxohexyl)estra-1,5-diene-3,11-dione; NSC-112166; NCI60_000265; 2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-(1,4,5-trihydroxy-1,5-dimethyl-2-oxo-hexyl)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112166	.	.	.	.	532.7	C30H44O8	152	1150	1.8	38	5	8	5	"InChI=1S/C30H44O8/c1-25(2)15-9-10-19-27(5)13-18(32)23(30(8,38)21(34)12-20(33)26(3,4)37)28(27,6)14-22(35)29(19,7)16(15)11-17(31)24(25)36/h9,11,16,18-20,23,31-33,37-38H,10,12-14H2,1-8H3"	CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2C=C(C1=O)O)C)C)C(C)(C(=O)CC(C(C)(C)O)O)O)O)C)C	FBGLZDYMEULGSX-UHFFFAOYSA-N
DG51706	"2,5-Dibromo-3,6-dimethylbenzene-1,4-diol;2,5-dibromo-3,6-dimethylcyclohexa-2,5-diene-1,4-dione"	270077	"NSC-112200; CHEMBL1566105; CCG-37932; NCGC00014118; NCI112200; NCGC00014118-02; NCGC00097227-01; NCI60_000267; 2,5-dibromo-3,6-dimethylbenzo-1,4-quinone compound with 2,5-dibromo-3,6-dimethyl-1,4-benzenediol (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112200	.	.	.	.	589.9	C16H14Br4O4	74.6	450	.	24	2	4	0	"InChI=1S/C8H8Br2O2.C8H6Br2O2/c2*1-3-5(9)8(12)4(2)6(10)7(3)11/h11-12H,1-2H3;1-2H3"	CC1=C(C(=C(C(=C1Br)O)C)Br)O.CC1=C(C(=O)C(=C(C1=O)Br)C)Br	QPUPISPNAHNDHB-UHFFFAOYSA-N
DG51707	4-Chloro-2-((3-quinolinylimino)methyl)phenol	270355	NSC112751; NSC-112751; NCIStruc1_000803; NCIStruc2_000762; CHEMBL1356348; CHEMBL2002918; ZINC1703799; CCG-36325; NCGC00014126; NCI112751; ZINC13099274; NCGC00014126-02; NCGC00097235-01; NCI60_000280; 4-chloro-2-((3-quinolinylimino)methyl)phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112751	.	.	.	.	282.72	C16H11ClN2O	45.5	349	3.8	20	1	3	2	"InChI=1S/C16H11ClN2O/c17-13-5-6-16(20)12(7-13)9-18-14-8-11-3-1-2-4-15(11)19-10-14/h1-10,20H"	C1=CC=C2C(=C1)C=C(C=N2)N=CC3=C(C=CC(=C3)Cl)O	APAGHSCPGGGDFZ-UHFFFAOYSA-N
DG51708	1-Benzyl-2-(benzyloxy)imidazolidine	270389	NSC112796; NSC-112796; 1-benzyl-2-(benzyloxy)imidazolidine; CHEMBL1984655; NCI60_000284	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112796	.	.	.	.	268.35	C17H20N2O	24.5	272	2.7	20	1	3	5	"InChI=1S/C17H20N2O/c1-3-7-15(8-4-1)13-19-12-11-18-17(19)20-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2"	C1CN(C(N1)OCC2=CC=CC=C2)CC3=CC=CC=C3	WFGMVJBYUYKXKC-UHFFFAOYSA-N
DG51709	"4,4,4-Triphenylbutanoic acid"	270495	"4,4,4-triphenylbutanoic acid; 16778-09-9; Benzenebutanoic acid, g,g-diphenyl-; NSC112938; SCHEMBL5329346; CHEMBL2002466; DTXSID10296977; ZINC4995018; NSC-112938; NCI60_000291; DS-010104"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112938	.	.	.	.	316.4	C22H20O2	37.3	339	5.2	24	1	2	6	"InChI=1S/C22H20O2/c23-21(24)16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,23,24)"	C1=CC=C(C=C1)C(CCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3	UGHIPOMCWKJUAO-UHFFFAOYSA-N
DG51710	"Phosphinic amide,P-bis(2,2-dimethyl-1-aziridinyl)-N-2-pyrimidinyl-"	270614	"NSC113112; CHEMBL1986729; ZINC73334938; NSC-113112; NCI60_000294; Phosphinic amide,P-bis(2,2-dimethyl-1-aziridinyl)-N-2-pyrimidinyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113112	.	.	.	.	281.29	C12H20N5OP	60.9	392	1.1	19	1	6	4	"InChI=1S/C12H20N5OP/c1-11(2)8-16(11)19(18,17-9-12(17,3)4)15-10-13-6-5-7-14-10/h5-7H,8-9H2,1-4H3,(H,13,14,15,18)"	CC1(CN1P(=O)(NC2=NC=CC=N2)N3CC3(C)C)C	FVCNRTJRLGEWKB-UHFFFAOYSA-N
DG51711	"Benzenesulfonyl fluoride, 4-((3-(4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)-1-oxopropyl)amino)-"	270636	"15422-13-6; NSC113220; p-(4,6-Diamino-1,2-dihydro-2,2-dimethyl-s-triazin-1-yl)phenylpropionylsulfanilyl fluoride; Benzenesulfonyl fluoride, 4-((3-(4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)-1-oxopropyl)amino)-; 4-(3-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)propanamido)benzene-1-sulfonyl fluoride; NSC 113220; Benzenesulfonyl fluoride, 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]-; CHEMBL95838; DTXSID90165571; ZINC43300606; SB73454; Sulfanilyl fluoride, N-(p-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)hydrocinnamoyl)-; 4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride; 4-(3-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)propanamido)benzene-1-sulfonylfluoride; Sulfanilyl fluoride, N-[p-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)hydrocinnamoyl]- (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113220	.	.	.	.	446.5	C20H23FN6O3S	152	822	1.3	31	3	5	6	"InChI=1S/C20H23FN6O3S/c1-20(2)26-18(22)25-19(23)27(20)15-8-3-13(4-9-15)5-12-17(28)24-14-6-10-16(11-7-14)31(21,29)30/h3-4,6-11H,5,12H2,1-2H3,(H,24,28)(H4,22,23,25,26)"	CC1(N=C(N=C(N1C2=CC=C(C=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)N)N)C	IQHXPLJJDASOCX-UHFFFAOYSA-N
DG51712	"3-(3-(3-Cycloheptylphenyl)propyl)-2-hydroxynaphthalene-1,4-dione"	270723	"17089-14-4; NSC113452; NSC-113452; 3-(3-(3-Cycloheptylphenyl)propyl)-2-hydroxynaphthalene-1,4-dione; NSC 113452; DTXSID60937848; ZINC4878614; 2-[3-(4-cycloheptylphenyl)propyl]-3-hydroxy-naphthalene-1,4-dione; 2-[3-(4-Cycloheptylphenyl)propyl]-3-hydroxynaphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113452	.	.	.	.	388.5	C26H28O3	54.4	618	6.7	29	1	3	5	"InChI=1S/C26H28O3/c27-24-21-11-5-6-12-22(21)25(28)26(29)23(24)13-7-8-18-14-16-20(17-15-18)19-9-3-1-2-4-10-19/h5-6,11-12,14-17,19,27H,1-4,7-10,13H2"	C1CCCC(CC1)C2=CC=C(C=C2)CCCC3=C(C4=CC=CC=C4C(=O)C3=O)O	AXNYBYBGUREGTC-UHFFFAOYSA-N
DG51713	"3-(3-(3-Cyclohexylphenyl)propyl)-2-hydroxynaphthalene-1,4-dione"	270725	"NSC113455; 18100-17-9; NSC-113455; 3-(3-(3-Cyclohexylphenyl)propyl)-2-hydroxynaphthalene-1,4-dione; NSC 113455; CHEMBL561356; DTXSID80939400; ZINC8627321; DS-004539; 2-[3-(4-cyclohexylphenyl)propyl]-3-hydroxy-naphthalene-1,4-dione; 2-[3-(4-Cyclohexylphenyl)propyl]-3-hydroxynaphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113455	.	.	.	.	374.5	C25H26O3	54.4	605	6.2	28	1	3	5	"InChI=1S/C25H26O3/c26-23-20-10-4-5-11-21(20)24(27)25(28)22(23)12-6-7-17-13-15-19(16-14-17)18-8-2-1-3-9-18/h4-5,10-11,13-16,18,26H,1-3,6-9,12H2"	C1CCC(CC1)C2=CC=C(C=C2)CCCC3=C(C4=CC=CC=C4C(=O)C3=O)O	ZGXOROLZOSNLNM-UHFFFAOYSA-N
DG51714	"2-Phenyl-2,3-dihydroquinazolin-4(1h)-one"	270800	"2-phenyl-2,3-dihydroquinazolin-4(1h)-one; 954-91-6; 2-Phenyl-2,3-dihydro-1H-quinazolin-4-one; MLS002701965; CHEMBL129312; Maybridge4_001349; Oprea1_282527; U 32027; SCHEMBL5248973; DTXSID90297068; HMS1524N07; BDBM50106307; CCG-41700; NSC113764; STL223282; AKOS000678754; AKOS021983049; MCULE-3304994690; NSC-113764; IDI1_031931; NCI60_000304; SMR001477626; CS-0349452; 2-Phenyl-4-oxo-1,2,3,4-tetrahydroquinazoline; U-32027; SR-01000631757-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113764	.	.	.	.	224.26	C14H12N2O	41.1	286	2.6	17	2	2	1	"InChI=1S/C14H12N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-9,13,15H,(H,16,17)"	C1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2	BIVGFFFLVZMILM-UHFFFAOYSA-N
DG51715	2-(4-Chlorophenyl)-1-hydroxyindole-3-carbonitrile	270811	MLS002706540; NSC113802; CHEMBL1870941; ZINC1704296; NSC-113802; SMR001573944	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113802	.	.	.	.	268.7	C15H9ClN2O	49	372	4.1	19	1	2	1	"InChI=1S/C15H9ClN2O/c16-11-7-5-10(6-8-11)15-13(9-17)12-3-1-2-4-14(12)18(15)19/h1-8,19H"	C1=CC=C2C(=C1)C(=C(N2O)C3=CC=C(C=C3)Cl)C#N	NUBJHMUYDQLJDY-UHFFFAOYSA-N
DG51716	"3-[3-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid"	270820	"NSC113908; 19160-24-8; DTXSID60297075; NSC-113908; 3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid; 1-[((3-Fluorosulfonylphenylaminocarbonyl)ethylene)phen-4-yl]-4,6-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113908	.	.	.	.	556.6	C22H29FN6O6S2	214	936	.	37	4	8	7	"InChI=1S/C20H23FN6O3S.C2H6O3S/c1-20(2)26-18(22)25-19(23)27(20)15-9-6-13(7-10-15)8-11-17(28)24-14-4-3-5-16(12-14)31(21,29)30;1-2-6(3,4)5/h3-7,9-10,12H,8,11H2,1-2H3,(H,24,28)(H4,22,23,25,26);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)N)N)C	UEWHSOJEWFZEHY-UHFFFAOYSA-N
DG51717	"4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butanoylamino]benzenesulfonyl Fluoride"	270832	"19160-25-9; NSC113918; DTXSID50940801; NSC-113918; DS-014787; 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butanoylamino]benzenesulfonyl Fluoride; Ethanesulfonic acid--4-{4-[4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenyl]butanamido}benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113918	.	.	.	.	570.7	C23H31FN6O6S2	214	943	.	38	4	8	8	"InChI=1S/C21H25FN6O3S.C2H6O3S/c1-21(2)27-19(23)26-20(24)28(21)16-10-6-14(7-11-16)4-3-5-18(29)25-15-8-12-17(13-9-15)32(22,30)31;1-2-6(3,4)5/h6-13H,3-5H2,1-2H3,(H,25,29)(H4,23,24,26,27);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)N)N)C	VVUOPZCCHACXLH-UHFFFAOYSA-N
DG51718	"4-Amino-6-bromo-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide"	270853	"MLS002703002; 20201-56-3; NSC113943; CHEMBL1698730; DTXSID60942275; NSC-113943; SMR001566811; 4-Amino-6-bromo-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboximidic acid; 4-Amino-6-bromo-7-(3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113943	.	.	.	.	388.17	C12H14BrN5O5	170	473	-1.4	23	5	8	3	"InChI=1S/C12H14BrN5O5/c13-8-4(10(15)22)5-9(14)16-2-17-11(5)18(8)12-7(21)6(20)3(1-19)23-12/h2-3,6-7,12,19-21H,1H2,(H2,15,22)(H2,14,16,17)"	C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)Br)C(=O)N)N	DMXIHKQKBYZIHM-UHFFFAOYSA-N
DG51719	6-Bromotoyocamycin	270861	"6-Bromotoyocamycin; MLS002703003; 20201-55-2; 4-amino-6-bromo-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile; SMR001566812; NSC113951; 4-amino-6-bromo-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile; CHEMBL16482; cid_270861; BDBM97027; DTXSID00942274; NSC-113951; 4-amino-6-bromo-7-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile; 4-amino-6-bromo-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-pyrrolo[2,3-d]pyrimidinecarbonitrile; 4-azanyl-6-bromanyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113951	.	.	.	.	370.16	C12H12BrN5O4	150	476	-0.6	22	4	8	2	"InChI=1S/C12H12BrN5O4/c13-9-4(1-14)6-10(15)16-3-17-11(6)18(9)12-8(21)7(20)5(2-19)22-12/h3,5,7-8,12,19-21H,2H2,(H2,15,16,17)"	C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)Br)C#N)N	VGLVPHRWFSFJJL-UHFFFAOYSA-N
DG51720	"5,11-Dimethyl-3,4,7,8,9,10-hexahydro[1]benzofuro[2,3-g]isoquinoline"	270883	"23018-25-9; 5,11-dimethyl-3,4,7,8,9,10-hexahydro[1]benzofuro[2,3-g]isoquinoline; NSC114016; CHEMBL2002119; DTXSID40945704; ZINC1704351; NSC-114016"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114016	.	.	.	.	253.34	C17H19NO	25.5	380	3.7	19	0	2	0	"InChI=1S/C17H19NO/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h9H,3-8H2,1-2H3"	CC1=C2CCN=CC2=C(C3=C1OC4=C3CCCC4)C	YWWVOUMWNWHVST-UHFFFAOYSA-N
DG51721	diethyl 2-acetamido-2-[[6-[bis(2-hydroxyethyl)amino]-1H-indol-3-yl]methyl]propanedioate	270973	NSC114346; ZINC4824435; NSC-114346	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114346	.	.	.	.	449.5	C22H31N3O7	141	621	1	32	4	8	14	"InChI=1S/C22H31N3O7/c1-4-31-20(29)22(24-15(3)28,21(30)32-5-2)13-16-14-23-19-12-17(6-7-18(16)19)25(8-10-26)9-11-27/h6-7,12,14,23,26-27H,4-5,8-11,13H2,1-3H3,(H,24,28)"	CCOC(=O)C(CC1=CNC2=C1C=CC(=C2)N(CCO)CCO)(C(=O)OCC)NC(=O)C	FSVLSJQLRXIMDS-UHFFFAOYSA-N
DG51722	"3,5-Dibromo-4-[2-(8-oxoquinolin-5-ylidene)hydrazinyl]benzenesulfonamide"	271001	"NSC114381; NSC-114381; 39150-44-2; NCIStruc1_001432; NCIStruc2_001647; CHEMBL1611413; CCG-37265; NCGC00014141; NCI114381; ZINC22910149; 3,5-dibromo-4-[2-(8-oxoquinolin-5-ylidene)hydrazinyl]benzenesulfonamide; ZINC100136863; NCGC00014141-02; NCGC00097250-01; NCI60_000322; DS-004653; 3,5-dibromo-4-((8-hydroxy-5-quinolinyl)diazenyl)benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114381	.	.	.	.	486.1	C15H10Br2N4O3S	126	588	3.6	25	2	7	3	"InChI=1S/C15H10Br2N4O3S/c16-10-6-8(25(18,23)24)7-11(17)15(10)21-20-12-3-4-13(22)14-9(12)2-1-5-19-14/h1-7,22H,(H2,18,23,24)"	C1=CC2=C(C=CC(=C2N=C1)O)N=NC3=C(C=C(C=C3Br)S(=O)(=O)N)Br	LYDXIMLSHYTFLA-UHFFFAOYSA-N
DG51723	2-(((Aminocarbonyl)amino)carbonyl)cyclohexanecarboxylic acid	271298	NSC114766; NSC-114766; CHEMBL1993458; 2-(((aminocarbonyl)amino)carbonyl)cyclohexanecarboxylic acid; NCI60_000336	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114766	.	.	.	.	214.22	C9H14N2O4	110	290	0.4	15	3	4	2	"InChI=1S/C9H14N2O4/c10-9(15)11-7(12)5-3-1-2-4-6(5)8(13)14/h5-6H,1-4H2,(H,13,14)(H3,10,11,12,15)"	C1CCC(C(C1)C(=O)NC(=O)N)C(=O)O	MWBBAOUJSUEBDM-UHFFFAOYSA-N
DG51724	"3,4-Dimethylpyrazolo[5,1-c][1,2,4]triazine"	271622	"3,4-dimethylpyrazolo[5,1-c][1,2,4]triazine; 6726-49-4; 3,4-dimethyl-pyrazolo[5,1-c][1,2,4]triazine; NSC115526; 3,2-c]-as-triazine; Pyrazolo[5, 3,4-dimethyl-; CHEMBL3274762; DTXSID50297322; ZINC1705111; NSC-115526; 3,4-dimethylpyrazolo(3,2-c)-as-triazine; Pyrazolo[5,2,4]triazine, 3,4-dimethyl-; 3,4-Dimethylpyrazolo[5,1-c]-1,2,4-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115526	.	.	.	.	148.17	C7H8N4	43.1	149	0.1	11	0	3	0	"InChI=1S/C7H8N4/c1-5-6(2)11-7(10-9-5)3-4-8-11/h3-4H,1-2H3"	CC1=C(N2C(=CC=N2)N=N1)C	JHCGJBGPFZGLDQ-UHFFFAOYSA-N
DG51725	"3-(4-Nitrobenzyl)-1,3-dihydro-2h-indol-2-one"	271691	"13220-44-5; 3-(4-nitrobenzyl)-1,3-dihydro-2h-indol-2-one; NSC115618; CHEMBL1981394; 2H-Indol-2-one,1,3-dihydro-3-[(4-nitrophenyl)methyl]-; DTXSID80297335; NSC-115618; NCI60_000352; DS-004136"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115618	.	.	.	.	268.27	C15H12N2O3	74.9	385	2.6	20	1	3	2	"InChI=1S/C15H12N2O3/c18-15-13(12-3-1-2-4-14(12)16-15)9-10-5-7-11(8-6-10)17(19)20/h1-8,13H,9H2,(H,16,18)"	C1=CC=C2C(=C1)C(C(=O)N2)CC3=CC=C(C=C3)[N+](=O)[O-]	YIKKMLSHYFGMKC-UHFFFAOYSA-N
DG51726	((3-(2-aminoethyl)-1H-indol-5-yl)oxy)(oxo)acetic acid	271694	NSC115625; 319-71-1; NSC-115625; NCIStruc1_000888; NCIStruc2_000807; CHEMBL1562337; DTXSID40297336; ZINC1705197; CCG-38148; NCGC00014156; NCI115625; NCGC00014156-02; NCGC00097265-01; NCI60_000353; ((3-(2-aminoethyl)-1H-indol-5-yl)oxy)(oxo)acetic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115625	.	.	.	.	248.23	C12H12N2O4	105	334	-2	18	3	5	5	"InChI=1S/C12H12N2O4/c13-4-3-7-6-14-10-2-1-8(5-9(7)10)18-12(17)11(15)16/h1-2,5-6,14H,3-4,13H2,(H,15,16)"	C1=CC2=C(C=C1OC(=O)C(=O)O)C(=CN2)CCN	YJKHKDHQOGQYPB-UHFFFAOYSA-N
DG51727	"Tubercidin 3', 5'-cyclic phosphate sesquihydrate"	271768	"NSC115712; TUBERCIDIN 3', 5'-CYCLIC PHOSPHATE SESQUIHYDRATE; 16719-36-1; Tubericidin 3',5'-phosphate; CHEMBL1965287; DTXSID10937292; NSC-115712; 6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol; NCI60_000354; 6-(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,7-dihydroxytetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one; 7H-Pyrrolo[2, 4-amino-7-.beta.-D-ribofuranosyl-, cyclic 3',5'-(hydrogen phosphate), sesquihydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115712	.	.	.	.	328.22	C11H13N4O6P	142	497	-2	22	3	9	1	"InChI=1S/C11H13N4O6P/c12-9-5-1-2-15(10(5)14-4-13-9)11-7(16)8-6(20-11)3-19-22(17,18)21-8/h1-2,4,6-8,11,16H,3H2,(H,17,18)(H2,12,13,14)"	C1C2C(C(C(O2)N3C=CC4=C(N=CN=C43)N)O)OP(=O)(O1)O	LCYHXWIEMRESTK-UHFFFAOYSA-N
DG51728	"1,2,7-Trimethylnaphthalene;2,4,6-trinitrobenzene-1,3-diol"	271872	NSC115855; CHEMBL1971632; NSC-115855; NCI60_000358	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115855	.	.	.	.	415.4	C19H17N3O8	178	490	.	30	2	8	0	"InChI=1S/C13H14.C6H3N3O8/c1-9-4-6-12-7-5-10(2)11(3)13(12)8-9;10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h4-8H,1-3H3;1,10-11H"	CC1=CC2=C(C=C1)C=CC(=C2C)C.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]	AHJJMWHYRGXIEJ-UHFFFAOYSA-N
DG51729	Quinolin-8-ol; xanthen-9-one	271897	NSC115892; quinolin-8-ol; xanthen-9-one; CHEMBL2004912; NSC-115892; NCI60_000360; 9H-Xanthen-9-one compound with 8-quinolinol (1:1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115892	.	.	.	.	341.4	C22H15NO3	59.4	375	.	26	1	4	0	"InChI=1S/C13H8O2.C9H7NO/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;11-8-5-1-3-7-4-2-6-10-9(7)8/h1-8H;1-6,11H"	C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2.C1=CC2=C(C(=C1)O)N=CC=C2	MJVAASXECGMNAR-UHFFFAOYSA-N
DG51730	"Benzonitrile, 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)-"	271921	"NSC115928; 70743-55-4; UNII-TQ8Q53FMH7; TQ8Q53FMH7; CHEMBL268914; 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzonitrile; Benzonitrile, 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)-; 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile; NSC 115928; SCHEMBL14577666; DTXSID00221011; BDBM50291779; ZINC17428337; Ethanesulfonic acid, compd. with benzonitrile der.; 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzonitrile; 3-[(1,2-Dihydro-2,2-dimethyl-4,6-diamino-1,3,5-triazin)-1-yl]benzenecarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115928	.	.	.	.	242.28	C12H14N6	104	441	-0.2	18	2	2	1	"InChI=1S/C12H14N6/c1-12(2)17-10(14)16-11(15)18(12)9-5-3-4-8(6-9)7-13/h3-6H,1-2H3,(H4,14,15,16,17)"	CC1(N=C(N=C(N1C2=CC=CC(=C2)C#N)N)N)C	NCLZDLNUFXETQQ-UHFFFAOYSA-N
DG51731	Dehydroheliotridine	272106	"DEHYDROHELIOTRIDINE; 3,8-Dehydroheliotridine; UNII-EGL727L56R; 26400-24-8; (1S)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-ol; EGL727L56R; (+)-Dehydroheliotridine; HSDB 3480; NSC 116336; Heliotridine,8-didehydro-; 3,8a-Didehydroheliotridine; Heliotridine,8a-didehydro-; CHEMBL1999592; DTXSID00181000; 1H-Pyrrolizine-7-methanol, 2,3-dihydro-1-hydroxy-, (S)-; WLN: T55 AN&TJ D1Q FQ; ZINC5004738; NSC116336; Heliotridine, 3,8-didehydro- (8CI); NSC-116336; WLN: T55 AN&TJ D1Q FQ -S; NCI60_000367; Q27277173; (7S)-7-Hydroxy-6,7-dihydro-5H-pyrrolizine-1-methanol; 1H-Pyrrolizine-7-methanol,3-dihydro-1-hydroxy-, (S)-; UNII-ZY3OL6W2LY component QFPRRXUPCPFWKD-ZETCQYMHSA-N"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116336	.	.	.	.	153.18	C8H11NO2	45.4	151	-1	11	2	2	1	"InChI=1S/C8H11NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h1,3,7,10-11H,2,4-5H2/t7-/m0/s1"	C1CN2C=CC(=C2[C@H]1O)CO	QFPRRXUPCPFWKD-ZETCQYMHSA-N
DG51732	12-((4-methyl-1-piperazinyl)acetyl)-12H-benzo[b]phenothiazine	272209	NSC116491; 18587-27-4; NSC-116491; 12-((4-methyl-1-piperazinyl)acetyl)-12H-benzo[b]phenothiazine; NCIStruc1_001510; NCIStruc2_000986; CHEMBL1374524; DTXSID70297526; CCG-37247; NCGC00014162; NCI116491; ZINC19366416; NCGC00014162-02; NCGC00097271-01; NCI60_000371	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116491	.	.	.	.	389.5	C23H23N3OS	52.1	564	4.1	28	0	4	2	"InChI=1S/C23H23N3OS/c1-24-10-12-25(13-11-24)16-23(27)26-19-8-4-5-9-21(19)28-22-15-18-7-3-2-6-17(18)14-20(22)26/h2-9,14-15H,10-13,16H2,1H3"	CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3SC4=CC5=CC=CC=C5C=C42	JHWISLMTUJNEQP-UHFFFAOYSA-N
DG51733	"3-[(2,3,4,5,6-Pentafluorophenyl)diazenyl]-1H-indol-2-ol"	272247	"NSC116535; 21231-38-9; MLS002701967; 3-[(2,3,4,5,6-Pentafluorophenyl)diazenyl]-1H-indol-2-ol; NCIMech_000298; CHEMBL1708964; CHEMBL1972374; DTXSID70417686; ZINC6927941; CCG-35366; STL506350; AKOS003247075; NSC-116535; NCI60_000375; SMR001565545; Indole-2, 3-[(pentafluorophenyl)hydrazone]; 1H-Indole-2, 3-[(pentafluorophenyl)hydrazone]; (3Z)-3-[2-(pentafluorophenyl)hydrazinylidene]-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116535	.	.	.	.	327.21	C14H6F5N3O	60.7	440	4.3	23	2	8	2	"InChI=1S/C14H6F5N3O/c15-7-8(16)10(18)13(11(19)9(7)17)22-21-12-5-3-1-2-4-6(5)20-14(12)23/h1-4,20,23H"	C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=C(C(=C(C(=C3F)F)F)F)F	CVPMFEJGUOBQAT-UHFFFAOYSA-N
DG51734	NSC116555	272259	"4,12,22,24-tetrahydroxy-13-methoxycarbonyl-N,N,1,12-tetramethyl-6,17-dioxo-10-(3,4,5-trimethoxy-4,6-dimethyloxan-2-yl)oxy-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaen-23-amine oxide; NSC116555; U 25795; CHEMBL1968452; NSC-116555; NCI60_000377"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116555	.	.	.	.	787.8	C39H49NO16	224	1550	1.4	56	4	16	8	"InChI=1S/C39H49NO16/c1-15-32(49-7)39(4,52-10)33(50-8)36(53-15)54-22-14-37(2,47)25(34(46)51-9)17-12-19-18(11-16(17)22)27(42)23-21(41)13-20-30(24(23)28(19)43)55-35-29(44)26(40(5,6)48)31(45)38(20,3)56-35/h11-13,15,22,25-26,29,31-33,35-36,41,44-45,47H,14H2,1-10H3"	CC1C(C(C(C(O1)OC2CC(C(C3=CC4=C(C=C23)C(=O)C5=C(C=C6C(=C5C4=O)OC7C(C(C(C6(O7)C)O)[N+](C)(C)[O-])O)O)C(=O)OC)(C)O)OC)(C)OC)OC	JTRPMLGIWQJPIB-UHFFFAOYSA-N
DG51735	2-Cyclohexyl-3-(3-nitrophenyl)oxaziridine	272286	"NSC116590; 23898-57-9; 2-Cyclohexyl-3-(3-(hydroxy(oxido)amino)phenyl)-1,2-oxaziridine; 2-cyclohexyl-3-(3-nitrophenyl)oxaziridine; NSC 116590; CHEMBL1991660; NSC-116590; NCI60_000379"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116590	.	.	.	.	248.28	C13H16N2O3	61.4	312	3.3	18	0	4	2	"InChI=1S/C13H16N2O3/c16-15(17)12-8-4-5-10(9-12)13-14(18-13)11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7H2"	C1CCC(CC1)N2C(O2)C3=CC(=CC=C3)[N+](=O)[O-]	IOXPEEMDMAXKEF-UHFFFAOYSA-N
DG51736	2-isoquinolin-1-yl-5-phenyl-1H-pyrrole-3-carbonitrile	272334	NSC116640; MLS000737773; CHEMBL1602361; SCHEMBL21369146; HMS2886F14; ZINC13152226; NSC-116640; SMR000528526	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116640	.	.	.	.	295.3	C20H13N3	52.5	447	4	23	1	2	2	"InChI=1S/C20H13N3/c21-13-16-12-18(15-7-2-1-3-8-15)23-19(16)20-17-9-5-4-6-14(17)10-11-22-20/h1-12,23H"	C1=CC=C(C=C1)C2=CC(=C(N2)C3=NC=CC4=CC=CC=C43)C#N	SDDXNUASCRUNBK-UHFFFAOYSA-N
DG51737	"1-(4-(4-Methylphenyl)-5-phenyl-1,3-oxazol-2-yl)isoquinoline"	272358	"NSC116702; NSC-116702; MLS000737776; NCIStruc1_001424; NCIStruc2_001197; CHEMBL1477383; SCHEMBL20211623; 1-(4-(4-methylphenyl)-5-phenyl-1,3-oxazol-2-yl)isoquinoline; ZINC1705919; CCG-37245; NCGC00014167; NCI116702; NCGC00014167-02; NCGC00097276-01; NCI60_000384; SMR000528528"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116702	.	.	.	.	362.4	C25H18N2O	38.9	497	5.9	28	0	3	3	"InChI=1S/C25H18N2O/c1-17-11-13-19(14-12-17)22-24(20-8-3-2-4-9-20)28-25(27-22)23-21-10-6-5-7-18(21)15-16-26-23/h2-16H,1H3"	CC1=CC=C(C=C1)C2=C(OC(=N2)C3=NC=CC4=CC=CC=C43)C5=CC=CC=C5	IOAOVPFXAIBMCW-UHFFFAOYSA-N
DG51738	7-nitro-9H-fluorene-2-carboxylic acid	272395	NSC116758; CHEMBL1981626; ZINC1706442; NSC-116758	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116758	.	.	.	.	255.22	C14H9NO4	83.1	391	3	19	1	4	1	"InChI=1S/C14H9NO4/c16-14(17)8-1-3-12-9(5-8)6-10-7-11(15(18)19)2-4-13(10)12/h1-5,7H,6H2,(H,16,17)"	C1C2=C(C=CC(=C2)C(=O)O)C3=C1C=C(C=C3)[N+](=O)[O-]	OJHCXHSNQPRFSN-UHFFFAOYSA-N
DG51739	Acovenoside A	272417	"Acovenoside A; NSC116787; 3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-1,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; 663-95-6; NSC-116787; NCI60_000386; Card-20(22)-enolide,14-dihydroxy-, (1.beta.,3.beta.,5.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116787	.	.	.	.	550.7	C30H46O9	135	1000	1.1	39	4	9	4	"InChI=1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-12-17-5-6-21-20(29(17,3)22(31)13-18)7-9-28(2)19(8-10-30(21,28)35)16-11-23(32)37-14-16/h11,15,17-22,24-27,31,33-35H,5-10,12-14H2,1-4H3/t15 ,17-,18-,19-,20+,21-,22-,24 ,25 ,26 ,27 ,28-,29+,30+/m1/s1"	CC1C(C(C(C(O1)O[C@@H]2C[C@H]3CC[C@@H]4[C@@H]([C@]3([C@@H](C2)O)C)CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)OC)O	DKYDBQQIQAPGMH-FIZVBJIDSA-N
DG51740	Acovenoside B	272418	Acovenoside B; NSC116789; NSC-116789; NCI60_000387	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116789	.	.	.	.	594.7	C31H46O11	161	1110	-0.1	42	4	11	6	"InChI=1S/C31H46O11/c1-15-25(34)27(38-4)26(35)28(40-15)42-19-12-18-5-6-21-22(31(18,37)23(13-19)41-16(2)32)7-9-29(3)20(8-10-30(21,29)36)17-11-24(33)39-14-17/h11,15,18-23,25-28,34-37H,5-10,12-14H2,1-4H3"	CC1C(C(C(C(O1)OC2CC3CCC4C(C3(C(C2)OC(=O)C)O)CCC5(C4(CCC5C6=CC(=O)OC6)O)C)O)OC)O	IVASUCKOVWICFI-UHFFFAOYSA-N
DG51741	"4-[(2,4-Dimethylphenyl)amino]naphthalene-1,2-dione"	272555	"4-[(2,4-dimethylphenyl)amino]naphthalene-1,2-dione; 69085-38-7; NSC117011; 4-(2,4-dimethylanilino)naphthalene-1,2-dione; 4-((2,4-Dimethylphenyl)amino)naphthalene-1,2-dione; 4-(2,4-dimethylanilino)-1,2-naphthalenedione; MLS001360416; CHEMBL3195691; SCHEMBL17660021; DTXSID30297648; HMS3069G09; AKOS003598428; ZINC100250868; MCULE-6381090880; NSC-117011; SMR001224033; AG-205/37066085"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117011	.	.	.	.	277.3	C18H15NO2	46.2	468	3.5	21	1	3	2	"InChI=1S/C18H15NO2/c1-11-7-8-15(12(2)9-11)19-16-10-17(20)18(21)14-6-4-3-5-13(14)16/h3-10,19H,1-2H3"	CC1=CC(=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32)C	ZAGDPSPINVOXCU-UHFFFAOYSA-N
DG51742	"4-(3-Bromoanilino)naphthalene-1,2-dione"	272559	NSC117015; ZINC1707101; NSC-117015; SR-01000324127; SR-01000324127-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117015	.	.	.	.	328.16	C16H10BrNO2	46.2	446	3.4	20	1	3	2	"InChI=1S/C16H10BrNO2/c17-10-4-3-5-11(8-10)18-14-9-15(19)16(20)13-7-2-1-6-12(13)14/h1-9,18H"	C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC(=CC=C3)Br	SYFXQNRVMLCRPZ-UHFFFAOYSA-N
DG51743	5-Bromo-7-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol	272568	NSC117028; MLS000737481; 5-bromo-7-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol; NSC-117028; NCIStruc1_001306; NCIStruc2_001279; CHEMBL1332450; SCHEMBL15156813; HMS2875D07; ZINC1707109; CCG-37383; NCGC00014172; NCI117028; STL307634; AKOS002744921; MCULE-2063311123; NCGC00014172-02; NCGC00097281-01; 500363-62-2; NCI60_000392; SMR000528532; 5-bromo-7-((4-phenyl-1-piperazinyl)methyl)-8-quinolinol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117028	.	.	.	.	398.3	C20H20BrN3O	39.6	423	4	25	1	4	3	"InChI=1S/C20H20BrN3O/c21-18-13-15(20(25)19-17(18)7-4-8-22-19)14-23-9-11-24(12-10-23)16-5-2-1-3-6-16/h1-8,13,25H,9-12,14H2"	C1CN(CCN1CC2=CC(=C3C=CC=NC3=C2O)Br)C4=CC=CC=C4	CMIBCLNTDXWVDH-UHFFFAOYSA-N
DG51744	"6-(Acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide"	272581	"10262-39-2; NSC117180; 6-(acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide; Neuro_000054; Scillirosidin,2.alpha.-epoxy-; CHEMBL1966119; DTXSID70907956; NSC-117180; NCI60_000396; 1.ALPHA.,2.ALPHA.-EPXOYSCILLIROSIDIN"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117180	.	.	.	.	472.5	C26H32O8	126	1060	0.2	34	3	8	3	"InChI=1S/C26H32O8/c1-13(27)33-18-11-25(30)19(24(3)16(18)10-17(28)21-22(24)34-21)7-8-23(2)15(6-9-26(23,25)31)14-4-5-20(29)32-12-14/h4-5,10,12,15,17-19,21-22,28,30-31H,6-9,11H2,1-3H3"	CC(=O)OC1CC2(C(CCC3(C2(CCC3C4=COC(=O)C=C4)O)C)C5(C1=CC(C6C5O6)O)C)O	PQPYOTABGNYENP-UHFFFAOYSA-N
DG51745	3-[2-(2-Methylphenyl)hydrazinyl]indol-2-one	272588	"3-[2-(2-methylphenyl)hydrazinyl]indol-2-one; 21231-41-4; 1H-indole-2,3-dione 3-[(2-methylphenyl)hydrazone]; MLS001178907; SMR000475997; 3-[(2-methylphenyl)diazenyl]-1H-indol-2-ol; NSC117191; CHEMBL1731797; CHEMBL2003469; cid_5381405; DTXSID50419087; BDBM114781; HMS2800F12; ZINC85397602; AKOS001046102; AKOS024342817; AKOS030656439; MCULE-3353361967; NSC-117191; 3-[(2-methylphenyl)hydrazo]-2-indolone; 3-[N''-(o-tolyl)hydrazino]indol-2-one; NCI60_000400; AE-848/32614027; 3-(O-TOLYL-HYDRAZONO)-1,3-DIHYDRO-INDOL-2-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117191	.	.	.	.	251.28	C15H13N3O	60.7	333	4.2	19	2	3	2	"InChI=1S/C15H13N3O/c1-10-6-2-4-8-12(10)17-18-14-11-7-3-5-9-13(11)16-15(14)19/h2-9,16,19H,1H3"	CC1=CC=CC=C1N=NC2=C(NC3=CC=CC=C32)O	UBUKNDAQRIEDKX-UHFFFAOYSA-N
DG51746	"Indole-2, 3-[(o-chlorophenyl)hydrazone]"	272589	"MLS002701969; 21231-39-0; NSC117192; CHEMBL1652341; CHEMBL1725934; SCHEMBL14111949; DTXSID10419088; BDBM152149; ZINC102824210; NSC-117192; NCI60_000401; SMR001565547; Indole-2, 3-[(o-chlorophenyl)hydrazone]; US8987474, HL1-050-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117192	.	.	.	.	271.7	C14H10ClN3O	60.7	339	4.4	19	2	3	2	"InChI=1S/C14H10ClN3O/c15-10-6-2-4-8-12(10)17-18-13-9-5-1-3-7-11(9)16-14(13)19/h1-8,16,19H"	C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=CC=CC=C3Cl	DCKVLFOMXZJZNU-UHFFFAOYSA-N
DG51747	"Furo[3,4-f][2]benzofuran-1,3,5,7-tetrone; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene"	272598	"NSC117212; NSC-117212; 25656-56-8; CHEMBL1741631; DTXSID10297661; CCG-38221; NCGC00014176; NCI117212; NCGC00014176-02; NCGC00097285-01; furo[3,4-f][2]benzofuran-1,3,5,7-tetrone; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; NCI60_000405; A818039; furo[3,4-f]isobenzofuran-1,3,5,7-tetrone; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117212	.	.	.	.	468.4	C25H12N2O8	146	681	.	35	0	10	4	"InChI=1S/C15H10N2O2.C10H2O6/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h1-8H,9H2;1-2H"	C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C1=C2C(=CC3=C1C(=O)OC3=O)C(=O)OC2=O	QMFJHPFJGDEWOU-UHFFFAOYSA-N
DG51748	"1,2,4,5-Tetrabromo-1,5-diphenyl-3-pentanone"	272617	"1,2,4,5-Tetrabromo-1,5-diphenyl-3-pentanone; 19922-77-1; 1,2,4,5-tetrabromo-1,5-diphenylpentan-3-one; NSC117232; DTXSID70297667; STL367800; AKOS001722129; MCULE-5613951117; NSC-117232; 1,2,4,5-Tetrabromo-1,5-diphenyl-3-pentanone #; Pentan-3-one, 1,2,4,5-tetrabromo-1,5-diphenyl-; 1,5-DIPHENYL-1,2,4,5-TETRABROMO-3-PENTANONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117232	.	.	.	.	553.9	C17H14Br4O	17.1	319	6.2	22	0	1	6	"InChI=1S/C17H14Br4O/c18-13(11-7-3-1-4-8-11)15(20)17(22)16(21)14(19)12-9-5-2-6-10-12/h1-10,13-16H"	C1=CC=C(C=C1)C(C(C(=O)C(C(C2=CC=CC=C2)Br)Br)Br)Br	YQZQHNNMRZCOOF-UHFFFAOYSA-N
DG51749	"4-(2-(4-chlorophenyl)-4,6-diimino-1,3,5-triazinan-1-yl)-N-(2-pyrimidinyl)benzenesulfonamide"	272646	"NSC117269; NSC-117269; CHEMBL2005222; NCI60_000407; 4-(4,3,5-triazin-1(2H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide; 4-(2-(4-chlorophenyl)-4,6-diimino-1,3,5-triazinan-1-yl)-N-(2-pyrimidinyl)benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117269	.	.	.	.	456.9	C19H17ClN8O2S	160	779	1.2	31	3	6	5	"InChI=1S/C19H17ClN8O2S/c20-13-4-2-12(3-5-13)16-25-17(21)26-18(22)28(16)14-6-8-15(9-7-14)31(29,30)27-19-23-10-1-11-24-19/h1-11,16H,(H,23,24,27)(H4,21,22,25,26)"	C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(N=C(N=C3N)N)C4=CC=C(C=C4)Cl	XHNFAKQGACPDTB-UHFFFAOYSA-N
DG51750	"3-[(4-Chlorophenyl)-(1-hydroxy-3,4-dioxo-naphthalen-2-yl)methyl]-4-hydroxy-naphthalene-1,2-dione"	272648	"NSC117271; NSC-117271; NCIStruc1_001420; NCIStruc2_001847; ZINC1707218; CCG-37275; NCGC00014179; NCI117271; NCGC00014179-02; NCGC00097288-01; 3-[(4-chlorophenyl)-(1-hydroxy-3,4-dioxo-naphthalen-2-yl)methyl]-4-hydroxy-naphthalene-1,2-dione; NCI60_000408; 2,2'-[(4-Chlorophenyl)methylene]bis(3-hydroxy-1,4-naphthalenedione); 2-[(4-chlorophenyl)-(3-hydroxy-1,4-dioxo-2-naphthyl)methyl]-3-hydroxy-naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117271	.	.	.	.	470.9	C27H15ClO6	109	917	3.8	34	2	6	3	"InChI=1S/C27H15ClO6/c28-14-11-9-13(10-12-14)19(20-22(29)15-5-1-3-7-17(15)24(31)26(20)33)21-23(30)16-6-2-4-8-18(16)25(32)27(21)34/h1-12,19,29-30H"	C1=CC=C2C(=C1)C(=C(C(=O)C2=O)C(C3=CC=C(C=C3)Cl)C4=C(C5=CC=CC=C5C(=O)C4=O)O)O	HVYRMCCQYYCOET-UHFFFAOYSA-N
DG51751	"2-Hydroxy-4-((2,4,6-triamino-5-pyrimidinyl)diazenyl)phenylarsonic acid"	272658	"NSC117281; NSC-117281; NCIStruc1_001356; NCIStruc2_001073; CHEMBL1254197; CHEMBL1317510; ANTINEOPLASTIC-117281; CCG-37250; NCGC00014181; NCI117281; NCGC00014181-02; NCGC00097290-01; NCI60_000410; 2-hydroxy-4-((2,4,6-triamino-5-pyrimidinyl)diazenyl)phenylarsonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117281	.	.	.	.	369.17	C10H12AsN7O4	206	449	.	22	6	11	3	"InChI=1S/C10H12AsN7O4/c12-8-7(9(13)16-10(14)15-8)18-17-4-1-2-5(6(19)3-4)11(20,21)22/h1-3,19H,(H2,20,21,22)(H6,12,13,14,15,16)"	C1=CC(=C(C=C1N=NC2=C(N=C(N=C2N)N)N)O)[As](=O)(O)O	KDRNTLJSSMMJLN-UHFFFAOYSA-N
DG51752	"2-Hydroxy-4-((2,4,6-triamino-5-pyrimidinyl)diazenyl)benzoic acid"	272662	"NSC117285; NSC-117285; NCIStruc1_001955; NCIStruc2_000689; SCHEMBL5079731; CHEMBL1333384; CHEMBL1971987; ZINC3954319; CCG-37502; NCGC00014182; NCI117285; ZINC13099301; NCGC00014182-02; NCGC00097291-01; NCI60_000411; 2-hydroxy-4-((2,4,6-triamino-5-pyrimidinyl)diazenyl)benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117285	.	.	.	.	289.25	C11H11N7O3	186	395	0.7	21	5	10	3	"InChI=1S/C11H11N7O3/c12-8-7(9(13)16-11(14)15-8)18-17-4-1-2-5(10(20)21)6(19)3-4/h1-3,19H,(H,20,21)(H6,12,13,14,15,16)"	C1=CC(=C(C=C1N=NC2=C(N=C(N=C2N)N)N)O)C(=O)O	UWKYCZZYRPDTJU-UHFFFAOYSA-N
DG51753	Adamotyl ara-C	272892	"Adamantoylcytarabine; Adam CA; 23113-01-1; Adamotyl ara-C; NSC117614; MLS002701971; Adamantoyl cytarabine; ADOCA; [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl adamantane-1-carboxylate; NSC-117614; CHEMBL1715101; DTXSID50945795; Cytosine, 5'-(1-adamantanecarboxylate); NCI60_000421; SMR001565549; 1-.beta.-D-Arabinoofuranosylcytosine 5'-adamantoate; 2(1H)-Pyrimidinone,7)]dec-1-ylcarbonyl)-.beta.-D-arabinofuranosyl]-; 4-Imino-1-[5-O-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)pentofuranosyl]-1,4-dihydropyrimidin-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117614	.	.	.	.	405.4	C20H27N3O6	135	739	0.8	29	3	6	5	"InChI=1S/C20H27N3O6/c21-14-1-2-23(19(27)22-14)17-16(25)15(24)13(29-17)9-28-18(26)20-6-10-3-11(7-20)5-12(4-10)8-20/h1-2,10-13,15-17,24-25H,3-9H2,(H2,21,22,27)"	C1C2CC3CC1CC(C2)(C3)C(=O)OCC4C(C(C(O4)N5C=CC(=NC5=O)N)O)O	NMANUXYHRYVLDW-UHFFFAOYSA-N
DG51754	"(2,3-Diphenylcycloprop-2-en-1-yl)urea"	272896	NSC117619; CHEMBL2003561; ZINC1707545; NSC-117619; NCI60_000422	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117619	.	.	.	.	250.29	C16H14N2O	55.1	348	1.8	19	2	1	3	"InChI=1S/C16H14N2O/c17-16(19)18-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10,15H,(H3,17,18,19)"	C1=CC=C(C=C1)C2=C(C2NC(=O)N)C3=CC=CC=C3	UVBYXRGXXAQUFT-UHFFFAOYSA-N
DG51755	"3-(2,4-Dinitrophenoxy)pyridine"	272938	"3-(2,4-Dinitrophenoxy)pyridine; 40604-27-1; MLS002706763; NSC117739; Pyridine, 3-(2,4-dinitrophenoxy)-; Pyridine,4-dinitrophenoxy)-; Oprea1_747690; CHEMBL1882702; DTXSID50297746; ZINC1707582; STK369689; AKOS005445570; MCULE-4363537790; NSC-117739; SMR001574162"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117739	.	.	.	.	261.19	C11H7N3O5	114	340	2	19	0	6	2	InChI=1S/C11H7N3O5/c15-13(16)8-3-4-11(10(6-8)14(17)18)19-9-2-1-5-12-7-9/h1-7H	C1=CC(=CN=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]	WSYSDMJVVVJKIH-UHFFFAOYSA-N
DG51756	"5,10,10-Trimethylbenzo[b][1,4]benzazastannine"	273088	"17154-51-7; 5,10,10-trimethylbenzo[b][1,4]benzazastannine; NSC118028; SCHEMBL2680384; DTXSID60297777; ZINC195763816; NSC-118028; Phenazastanine,10-dihydro-5,10,10-trimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118028	.	.	.	.	330.01	C15H17NSn	3.2	263	.	17	0	1	0	"InChI=1S/C13H11N.2CH3.Sn/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;;;/h2-8,10H,1H3;2*1H3;"	CN1C2=CC=CC=C2[Sn](C3=CC=CC=C31)(C)C	HDLOTGARUIVRDY-UHFFFAOYSA-N
DG51757	"bis(diethylcarbamothioylsulfanyl)bismuthanyl N,N-diethylcarbamodithioate"	273108	"NSC118051; bismuth diethyldithiocarbamate; bis(diethylcarbamothioylsulfanyl)bismuthanyl N,N-diethylcarbamodithioate; NSC-118051; NCI60_000430; 6-(((Diethylamino)carbothioyl)thio)-3,9-diethyl-4,8-dithioxo-5,7-dithia-3,9-diaza-6-bismaundecane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118051	.	.	.	.	653.8	C15H30BiN3S6	182	364	.	25	0	6	12	"InChI=1S/3C5H11NS2.Bi/c3*1-3-6(4-2)5(7)8;/h3*3-4H2,1-2H3,(H,7,8);/q;;;+3/p-3"	CCN(CC)C(=S)S[Bi](SC(=S)N(CC)CC)SC(=S)N(CC)CC	YTLFVJABOBHSFS-UHFFFAOYSA-K
DG51758	"Prototryptochrome, iodo-"	273178	"NSC118176; NSC-118176; Prototryptochrome, iodo-; CHEMBL1975573; SCHEMBL13856951; NCI60_000433; 6,13-diimino-7a-iodo-6,7,7a,12a,12b,13,14,14a-octahydrodiindolo[3,2,1-de:3,2,1-ij][1,5]naphthyridine-7,14-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118176	.	.	.	.	472.3	C20H17IN4O2	94.6	718	1.4	27	4	4	0	"InChI=1S/C20H17IN4O2/c21-20-10-6-2-4-8-12(10)25-16(20)14-13(15(26)18(25)22)9-5-1-3-7-11(9)24(14)19(23)17(20)27/h1-8,13-17,22-23,26-27H"	C1=CC=C2C(=C1)C3C4N2C(=N)C(C5(C4N(C6=CC=CC=C65)C(=N)C3O)I)O	OHXRFXUHYNXSGY-UHFFFAOYSA-N
DG51759	3-(5-Methoxy-2-oxo-7-phenylmethoxychromen-4-yl)propanoic acid;3-(7-methoxy-2-oxo-5-phenylmethoxychromen-4-yl)propanoic acid	273493	NSC118767; CHEMBL1994145; NSC-118767; NCI60_000448	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118767	.	.	.	.	708.7	C40H36O12	164	1070	.	52	2	12	14	"InChI=1S/2C20H18O6/c1-24-16-10-15(25-12-13-5-3-2-4-6-13)11-17-20(16)14(7-8-18(21)22)9-19(23)26-17;1-24-15-10-16(25-12-13-5-3-2-4-6-13)20-14(7-8-18(21)22)9-19(23)26-17(20)11-15/h2*2-6,9-11H,7-8,12H2,1H3,(H,21,22)"	COC1=CC2=C(C(=CC(=O)O2)CCC(=O)O)C(=C1)OCC3=CC=CC=C3.COC1=CC(=CC2=C1C(=CC(=O)O2)CCC(=O)O)OCC3=CC=CC=C3	CTQHVQPXRZRRHJ-UHFFFAOYSA-N
DG51760	"4-(acetylamino)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl 4-methylbenzenesulfonate"	273548	"NSC118836; NSC-118836; NCIStruc1_001386; NCIStruc2_001271; CHEMBL1447807; ZINC1708695; CCG-36640; NCGC00014206; NCI118836; 4-(acetylamino)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl 4-methylbenzenesulfonate; NCGC00014206-02; NCGC00097315-01; NCI60_000452"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118836	.	.	.	.	324.35	C14H16N2O5S	101	597	0.4	22	1	5	4	"InChI=1S/C14H16N2O5S/c1-9-4-6-11(7-5-9)22(19,20)21-12-8-16(3)14(18)13(12)15-10(2)17/h4-7H,8H2,1-3H3,(H,15,17)"	CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C2)C)NC(=O)C	DQQGEOTYVFSRGQ-UHFFFAOYSA-N
DG51761	"6,11-Dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester"	273769	"NSC119236; 3306-93-2; ethyl 6,11-dioxo-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxylate; NSC-119236; 6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester; CHEMBL458765; ethyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate; 1-Carboethoxy-2,3-phthaloylpyrrocoline; ChemDiv3_001941; NCIStruc1_001582; NCIStruc2_001066; Oprea1_010120; Oprea1_229435; CHEBI:93990; DTXSID10297924; HMS1478I05; ZINC167718; BDBM50463924; CCG-36636; NCGC00014207; NCI119236; STK981928; AKOS001634473; MCULE-6609187924; IDI1_020907; NCGC00014207-02; NCGC00014207-03; NCGC00097316-01; NCI60_000459; A821700; AF-399/14738011; SR-01000081644; SR-01000081644-1; BRD-K28100108-001-01-0; Q27165743; 5,10-Dioxo-4a-aza-4aH-benzo[b]fluorene-11-carboxylic acid ethyl ester; ethyl 6,11-bis(oxidanylidene)naphtho[2,3-b]indolizine-12-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	119236	.	.	.	.	319.3	C19H13NO4	64.8	560	4	24	0	4	3	"InChI=1S/C19H13NO4/c1-2-24-19(23)14-13-9-5-6-10-20(13)16-15(14)17(21)11-7-3-4-8-12(11)18(16)22/h3-10H,2H2,1H3"	CCOC(=O)C1=C2C=CC=CN2C3=C1C(=O)C4=CC=CC=C4C3=O	RCDIUAFMNCXJRV-UHFFFAOYSA-N
DG51762	"ethyl 2-hydroxy-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthrene-1-carboxylate"	273923	"NSC119621; NSC-119621; CHEMBL1981857; ethyl 2-hydroxy-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthrene-1-carboxylate; NCI60_000463"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	119621	.	.	.	.	308.4	C20H20O3	46.5	448	3.7	23	1	3	3	"InChI=1S/C20H20O3/c1-2-23-20(22)19-17(21)11-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)18(16)19/h3-10,16-19,21H,2,11H2,1H3"	CCOC(=O)C1C(CC2C1C3=CC=CC=C3C4=CC=CC=C24)O	XBBKGMWUFSFRON-UHFFFAOYSA-N
DG51763	"2,3,4,5-tetrabromo-6-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid"	274104	"NSC119889; 2,3,4,5-tetrabromo-6-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid; NSC-119889; 500533-91-5; NCIStruc1_000269; NCIStruc2_000235; CHEMBL516616; SCHEMBL4391208; DTXSID40297977; ZINC3954332; CCG-36251; NCGC00014212; NCI119889; NCGC00014212-02; NCGC00014212-03; NCGC00097321-01; NCGC00162029-01; NCI60_000468; Q32039271; 2,4,5-tetrabromo-6-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid; Benzoic acid, 2,3,4,5-tetrabromo-6-(3,6-dihydroxy-9H-xanthen-9-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	119889	.	.	.	.	649.9	C20H10Br4O5	87	598	6.5	29	3	5	2	"InChI=1S/C20H10Br4O5/c21-16-14(15(20(27)28)17(22)19(24)18(16)23)13-9-3-1-7(25)5-11(9)29-12-6-8(26)2-4-10(12)13/h1-6,13,25-26H,(H,27,28)"	C1=CC2=C(C=C1O)OC3=C(C2C4=C(C(=C(C(=C4Br)Br)Br)Br)C(=O)O)C=CC(=C3)O	ABKDQIYZBHXIDA-UHFFFAOYSA-N
DG51764	"2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)cyclohexanecarboxylic acid"	274122	"NSC119910; NSC-119910; CHEMBL487046; cid_274122; SCHEMBL2778459; SCHEMBL16556406; BDBM50246208; NCI60_000471; M-119; MLS-0111618.0001; 2-(3,4,5-trihydroxy-6-oxo-xanthen-9-yl)cyclohexanecarboxylic acid; 2-(4,6-trihydroxy-3-oxo-3H-xanthen-9-yl)cyclohexanecarboxylic acid; 2-(3,4,5-trihydroxy-6-oxo-6H-xanthen-9-yl)cyclohexanecarboxylic acid; 2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)cyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	119910	.	.	.	.	370.4	C20H18O7	124	762	2.1	27	4	7	2	"InChI=1S/C20H18O7/c21-13-7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(22)17(24)19(12)27-18(11)16(13)23/h5-10,21,23-24H,1-4H2,(H,25,26)"	C1CCC(C(C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4O)O)O)C(=O)O	CAVIJGGXNIURPI-UHFFFAOYSA-N
DG51765	"7-methyl-3-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid"	274125	"NSC119913; NSC-119913; MLS-0111619.0001; 7-methyl-2-(3,4,5-trihydroxy-6-oxo-xanthen-9-yl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid; CHEMBL471004; cid_274125; SCHEMBL2777685; BDBM42000; 7-methyl-2-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid; 7-methyl-3-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid; NCI60_000473; 7-methyl-2-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid; 7-methyl-2-(3,4,5-trihydroxy-6-oxo-9-xanthenyl)-3-bicyclo[2.2.1]hept-5-enecarboxylic acid; 7-methyl-2-[3,4,5-tris(oxidanyl)-6-oxidanylidene-xanthen-9-yl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid; 7-methyl-3-(4,6-trihydroxy-3-oxo-3H-xanthen-9-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid; Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 7-methyl-3-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	119913	.	.	.	.	394.4	C22H18O7	124	910	1.7	29	4	7	2	"InChI=1S/C22H18O7/c1-8-9-2-3-10(8)17(22(27)28)16(9)15-11-4-6-13(23)18(25)20(11)29-21-12(15)5-7-14(24)19(21)26/h2-10,16-17,23,25-26H,1H3,(H,27,28)"	CC1C2C=CC1C(C2C3=C4C=CC(=O)C(=C4OC5=C3C=CC(=C5O)O)O)C(=O)O	BSAMRWOMXJWVCE-UHFFFAOYSA-N
DG51766	"3-(3,4,5-Trihydroxy-6-oxoxanthen-9-yl)propanoic acid"	274127	"NSC119915; NSC-119915; MLS-0111617.0001; NCIStruc1_001552; NCIStruc2_001625; cid_274127; SCHEMBL5080754; 3-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)propanoic acid; CHEMBL1481974; BDBM41999; 3-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)propanoic acid; ZINC3954336; CCG-36678; NCGC00014216; NCI119915; NCGC00014216-02; NCGC00014216-03; NCGC00097325-01; NCGC00097325-02; NCI60_000474; 3-(3,4,5-trihydroxy-6-oxo-9-xanthenyl)propanoic acid; 3-(3,4,5-trihydroxy-6-oxo-xanthen-9-yl)propanoic acid; 3H-Xanthene-9-propanoic acid, 4,5,6-trihydroxy-3-oxo-; 3-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)propionic acid; 3-(4,6-trihydroxy-3-oxo-3H-xanthen-9-yl)propanoic acid; 3-[3,4,5-tris(oxidanyl)-6-oxidanylidene-xanthen-9-yl]propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	119915	.	.	.	.	316.26	C16H12O7	124	643	0.6	23	4	7	3	"InChI=1S/C16H12O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-2,4-5,17,21-22H,3,6H2,(H,19,20)"	C1=CC(=C(C2=C1C(=C3C=CC(=O)C(=C3O2)O)CCC(=O)O)O)O	OCMFSQMNSIPSJS-UHFFFAOYSA-N
DG51767	"3-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2H-furan-5-one"	274159	"NSC277290; 466-09-1; 5alpha-Card-20(22)-enolide,14-dihydroxy-; 3-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2H-furan-5-one; 5.alpha.-Card-20(22)-enolide,14-dihydroxy-; MLS002701726; Card-20(22)-enolide,14-dihydroxy-, (3.beta.,5.alpha.)-; NSC407806; ODORIGENINB; SCHEMBL1152954; NSC119993; NSC224424; UZARIGENIN B614014K070; AKOS032948827; MCULE-1542720935; NSC-119993; NSC-224424; NSC-277290; LS-15019; NCI60_002256; NCI60_003892; SMR001565322; 3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; 4-(3,14-dihydroxy-10,13-dimethyl-hexadecahydrocyclopenta[a]phenanthren-17-yl)-5h-furan-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	277290	.	.	.	.	374.5	C23H34O4	66.8	686	2.6	27	2	4	1	"InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3"	CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O	XZTUSOXSLKTKJQ-UHFFFAOYSA-N
DG51768	N-(2-formylphenyl)-4-methylbenzenesulfonamide	274241	"N-(2-formylphenyl)-4-methylbenzenesulfonamide; 6590-65-4; N-(2-Formyl-phenyl)-4-methyl-benzenesulfonamide; NSC120186; Benzenesulfonamide, N-(2-formylphenyl)-4-methyl-; NSC-120186; 2Tosylaminobenzaldehyde; 2-tosylaminobenzaldehyde; EC-000.1784; 2-(Tosylamino)benzaldehyde; NCIStruc1_001960; NCIStruc2_000731; ghl.PD_Mitscher_leg0.1275; CHEMBL1448552; SCHEMBL15820897; DTXSID90298010; ZINC262711; CCG-37538; MFCD00805186; NCGC00014219; NCI120186; AKOS000271038; MCULE-2466432987; N-(2-Formylphenyl)-ptoluenesulfonamide; NCGC00014219-02; NCGC00097328-01; NCI60_000478; DB-054852; FT-0636188"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	120186	.	.	.	.	275.32	C14H13NO3S	71.6	393	2.4	19	1	4	4	"InChI=1S/C14H13NO3S/c1-11-6-8-13(9-7-11)19(17,18)15-14-5-3-2-4-12(14)10-16/h2-10,15H,1H3"	CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C=O	QLQGABDYGHEFOM-UHFFFAOYSA-N
DG51769	5-[4-(4-Carboxythiadiazol-5-yl)phenyl]thiadiazole-4-carboxylic acid	274297	NSC120288; NSC-120288; NCIStruc1_001346; NCIStruc2_001825; CHEMBL1453715; ZINC1709783; 5-[4-(4-carboxythiadiazol-5-yl)phenyl]thiadiazole-4-carboxylic acid; CCG-36606; NCGC00014220; NCI120288; NCGC00014220-02; NCGC00097329-01; NCI60_000479	.	.	Investigative Drug(s)	Investigative	Small molecular drug	120288	.	.	.	.	334.3	C12H6N4O4S2	183	407	2	22	2	10	4	"InChI=1S/C12H6N4O4S2/c17-11(18)7-9(21-15-13-7)5-1-2-6(4-3-5)10-8(12(19)20)14-16-22-10/h1-4H,(H,17,18)(H,19,20)"	C1=CC(=CC=C1C2=C(N=NS2)C(=O)O)C3=C(N=NS3)C(=O)O	FKLUDLBKVQQJJO-UHFFFAOYSA-N
DG51770	"5-(Hydrazinesulfonyl)benzene-1,3-dicarboxylic acid"	274548	"89626-10-8; 5-(hydrazinesulfonyl)benzene-1,3-dicarboxylic acid; 5-(Hydrazinylsulfonyl)isophthalic acid; 5-(hydrazinosulfonyl)isophthalic acid; NSC120634; NSC-120634; CHEMBL443954; 5-(hydrazinylsulfonyl)benzene-1,3-dicarboxylic acid; 1,3-Benzenedicarboxylic acid, 5-(hydrazinosulfonyl)-; NCIStruc1_001924; NCIStruc2_000851; SCHEMBL10611041; DTXSID50298112; ZINC1710102; BDBM50246207; CCG-37536; MFCD20039943; NCGC00014224; NCI120634; AKOS015995184; NCGC00014224-02; NCGC00097333-01; NCI60_000485; DS-005602; 5-(hydrazinesulfonyl)benzene-1,3-dicarboxylicacid; J-516351"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	120634	.	.	.	.	260.23	C8H8N2O6S	155	392	-3.1	17	4	8	4	"InChI=1S/C8H8N2O6S/c9-10-17(15,16)6-2-4(7(11)12)1-5(3-6)8(13)14/h1-3,10H,9H2,(H,11,12)(H,13,14)"	C1=C(C=C(C=C1C(=O)O)S(=O)(=O)NN)C(=O)O	UWALZFACAZHTQM-UHFFFAOYSA-N
DG51771	"4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]benzenesulfonyl fluoride"	274726	"25313-00-2; NSC120925; DTXSID10298133; NSC-120925; DS-014771; 4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]benzenesulfonyl fluoride; Ethanesulfonic acid--4-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]propyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	120925	.	.	.	.	636.1	C23H31ClFN7O7S2	236	1020	.	41	5	9	9	"InChI=1S/C21H25ClFN7O4S.C2H6O3S/c1-21(2)29-18(24)28-19(25)30(21)14-6-9-17(16(22)12-14)34-11-3-10-26-20(31)27-13-4-7-15(8-5-13)35(23,32)33;1-2-6(3,4)5/h4-9,12H,3,10-11H2,1-2H3,(H2,26,27,31)(H4,24,25,28,29);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCNC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C	ZJBYSLCJGWDCGS-UHFFFAOYSA-N
DG51772	2-(9-Methylpentadecan-7-ylamino)ethyl 4-nitrobenzoate	274793	NSC121073; CHEMBL1998411; NSC-121073	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121073	.	.	.	.	434.6	C25H42N2O4	84.2	473	8.5	31	1	5	18	"InChI=1S/C25H42N2O4/c1-4-6-8-10-12-21(3)20-23(13-11-9-7-5-2)26-18-19-31-25(28)22-14-16-24(17-15-22)27(29)30/h14-17,21,23,26H,4-13,18-20H2,1-3H3"	CCCCCCC(C)CC(CCCCCC)NCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]	RHMQUCJFHNCQBF-UHFFFAOYSA-N
DG51773	N-(8-chloro-6-oxo-5H-phenanthridin-3-yl)acetamide	274963	NSC121322; CHEMBL1989010; ZINC8637627; NSC-121322	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121322	.	.	.	.	286.71	C15H11ClN2O2	58.2	415	2.3	20	2	2	1	"InChI=1S/C15H11ClN2O2/c1-8(19)17-10-3-5-12-11-4-2-9(16)6-13(11)15(20)18-14(12)7-10/h2-7H,1H3,(H,17,19)(H,18,20)"	CC(=O)NC1=CC2=C(C=C1)C3=C(C=C(C=C3)Cl)C(=O)N2	TVYRCWHYMBTFNX-UHFFFAOYSA-N
DG51774	"2-(Dimethylamino)-3-(4-methylphenyl)sulfanylnaphthalene-1,4-dione"	275098	"MLS002701975; SMR001565552; NSC121713; cid_275098; CHEMBL1711303; BDBM80756; ZINC1710905; 2-(dimethylamino)-3-(4-methylphenyl)sulfanylnaphthalene-1,4-dione; NSC-121713; 2-(dimethylamino)-3-(p-tolylthio)-1,4-naphthoquinone; 2-(dimethylamino)-3-(4-methylphenyl)sulfanyl-naphthalene-1,4-dione; 2-(dimethylamino)-3-[(4-methylphenyl)thio]naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121713	.	.	.	.	323.4	C19H17NO2S	62.7	518	4.4	23	0	4	3	"InChI=1S/C19H17NO2S/c1-12-8-10-13(11-9-12)23-19-16(20(2)3)17(21)14-6-4-5-7-15(14)18(19)22/h4-11H,1-3H3"	CC1=CC=C(C=C1)SC2=C(C(=O)C3=CC=CC=C3C2=O)N(C)C	QOHQFFNJYZABNV-UHFFFAOYSA-N
DG51775	Noscapine	275196	"noscapine; 128-62-1; NARCOTINE; Tusscapine; Terbenol; Capval; Methoxyhydrastine; Coscopin; Narcompren; Narcosine; Noscapin; Vadebex; Narcotin; Narkotin; Noscapalin; Opianine; Opianin; (-)-Narcotine; Narcotussin; Longatin; Nectadon; Nicolane; Nipaxon; Lyobex; Opian; alpha-Narcotine; O-Methylnarcotoline; Coscotabs; Noscapinum; Key-tusscapine; Longactin; Noscapal; Noscapina; Hederix (free base); (-)-alpha-narcotine; L-alpha-Narcotine; Noscopine; UNII-8V32U4AOQU; NSC 5366; NSC-5366; .alpha.-Narcotine; L-.alpha.-Narcotine; (-)-.alpha.-Narcotine; 8V32U4AOQU; dl-Narcotine; alpha-Gnoscopine; (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one; (S)-6,7-dimethoxy-3-((R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one; CHEBI:73237; NSC5366; (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one; DSSTox_CID_3385; DSSTox_RID_77007; DSSTox_GSID_23385; Narcotine alkaloid; Noskapin; Noscapine dl-form; L-alpha-Noscapine; 8-Methoxyhydrastin; Coscopin (VAN); (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one; 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)-isoquinolin-5-yl), (S-(R*,S*))-; SMR000059119; (+-)-Noscapine; (-)-.alpha.-Norcotine; (-)-alpha-Norcotine; (+-)-alpha-Narcotine; 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (S-(R*,S*))-; 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]-; Noscapinum [INN-Latin]; Noscapina [INN-Spanish]; Narcotinum; CCRIS 9304; HSDB 3372; Noscapine [USP:INN:BAN:JAN]; .beta.-Narcotine; Noscapine (TN); (-)-noscapine; NCGC00016388-01; [S-(R*,S*)]-6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-1(3H)-Isobenzofuranone; CAS-128-62-1; Narcotine (8CI); Prestwick_959; (-)-a-Narcotine; EINECS 204-899-2; NSC 96350; 1-.alpha.-Narcotine; BRN 0099933; Tocris-1697; Narcotine, (+-)-; Prestwick0_000563; Prestwick1_000563; Prestwick2_000563; Prestwick3_000563; CBMicro_048259; SCHEMBL4559; (S,R)-Noscapine, 97%; Lopac0_000840; BSPBio_000346; 4-27-00-06838 (Beilstein Handbook Reference); MLS000069475; MLS001060855; SPBio_002565; Noscapine (JP15/USP/INN); Noscapine (JP17/USP/INN); BPBio1_000382; CHEMBL364713; DTXSID4023385; GTPL10212; HMS1569B08; HMS2096B08; HMS2269P05; 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-((5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (3S)-; 6,7-Dimethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one, (S-(R*,S*))- #; Phthalide, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-; Tox21_110413; BBL012344; BDBM50424716; MFCD00069316; NSC121869; STK054401; ZINC19418974; Noscapine 1.0 mg/ml in Acetonitrile; AKOS000278036; Tox21_110413_1; CCG-204096; CS-5115; DB06174; MCULE-5334942206; NSC-121869; SDCCGSBI-0048054.P004; (-)-3-(2-Methyl-6,7-methylendioxy-8-methoxy-1-isochinolyl)-6,7-dimethoxyphthalid; NCGC00023230-02; NCGC00023230-04; NCGC00023230-05; NCGC00023230-07; NCGC00023230-08; NCGC00023230-10; NCGC00023230-14; 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-((5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (3S)-rel-; 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R*,S*)-; 5-(6,7-Dimethoxyphthalidyl)-5,6,7,8-tetrahydro-4-methoxy-8-methyl-1,3-dioxolo(4,5-g)isoquinoline; AC-20272; AC-33191; HY-13716; L-alpha-2-Methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinaline; NCI60_004322; VS-03291; BIM-0048054.P001; C09592; D01036; SR-01000075529-6; W-201012; BRD-K89237706-001-03-8; Q60998699; Noscapine, European Pharmacopoeia (EP) Reference Standard; UNII-A4C6WE7BZN component AKNNEGZIBPJZJG-MSOLQXFVSA-N; Noscapine, United States Pharmacopeia (USP) Reference Standard; WLN: T C566 DO FO KN EH & & TJ HO1 K1 J-DT56 BVO DHJ HO1 IO1; (3S)-3-[(5R)-6-methyl-4-(methyloxy)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-bis(methyloxy)-2-benzofuran-1(3H)-one; (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one; 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R*,S*)-(+-)-; 1(3H)-Isobenzofuranone,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]-; Phthalide,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5366	.	.	.	.	413.4	C22H23NO7	75.7	647	2.7	30	0	8	4	"InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1"	CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3	AKNNEGZIBPJZJG-MSOLQXFVSA-N
DG51776	NSC122060	275314	"3-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid; 25312-98-5; NSC122060; DTXSID80298266; NSC-122060; Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy]propyl]carbamoyl]metanilyl fluoride (1:1) (8CI) (MF2); Ethanesulfonic acid--3-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]propyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	122060	.	.	.	.	636.1	C23H31ClFN7O7S2	236	1030	.	41	5	9	9	"InChI=1S/C21H25ClFN7O4S.C2H6O3S/c1-21(2)29-18(24)28-19(25)30(21)14-7-8-17(16(22)12-14)34-10-4-9-26-20(31)27-13-5-3-6-15(11-13)35(23,32)33;1-2-6(3,4)5/h3,5-8,11-12H,4,9-10H2,1-2H3,(H2,26,27,31)(H4,24,25,28,29);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCNC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)Cl)N)N)C	NFZCDHIQVFFNCX-UHFFFAOYSA-N
DG51777	8-Hydroxyquinoline-5-carbaldehyde	275363	"8-hydroxyquinoline-5-carbaldehyde; 2598-30-3; 5-Quinolinecarboxaldehyde, 8-hydroxy-; 8-hydroxy-5-quinolinecarboxaldehyde; 5-formyl-8-hydroxyquinoline; MLS000737539; 8-hydroxyquinoline-5-carboxaldehyde; 5-Quinolinecarboxaldehyde,8-hydroxy-; NSC122131; 5-formyl-8-hydroxychinolin; SCHEMBL700910; CHEMBL1487639; DTXSID70298275; HMS2862A16; ZINC1711209; 2196AB; MFCD03425064; AKOS005208275; CS-W007202; DS-4609; NSC-122131; SB67525; SMR000528556; 8-hydroxy-quinoline-5-carbaldehyde, AldrichCPR; A818232; A877403; 8-hydroxyquinoline-5-carbaldehyde;3-((4-Chloro-2-methylphenyl)carbamoyl)naphthalen-2-yl dihydrogen phosphate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	122131	.	.	.	.	173.17	C10H7NO2	50.2	195	1.7	13	1	3	1	"InChI=1S/C10H7NO2/c12-6-7-3-4-9(13)10-8(7)2-1-5-11-10/h1-6,13H"	C1=CC2=C(C=CC(=C2N=C1)O)C=O	LIADJWREMDHKHQ-UHFFFAOYSA-N
DG51778	NSC122291	275433	"5-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid; 25466-77-7; NSC122291; DTXSID30298291; NSC-122291; Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy]propyl]ureido]-o-toluenesulfonyl fluoride (1:1); Ethanesulfonic acid--5-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]propyl}carbamoyl)amino]-2-methylbenzene-1-sulfonyl fluoride (1/1); o-Toluenesulfonyl fluoride,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy]propyl]ureido]-, monoethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	122291	.	.	.	.	650.1	C24H33ClFN7O7S2	236	1060	.	42	5	9	9	"InChI=1S/C22H27ClFN7O4S.C2H6O3S/c1-13-5-6-14(11-18(13)36(24,33)34)28-21(32)27-9-4-10-35-17-8-7-15(12-16(17)23)31-20(26)29-19(25)30-22(31,2)3;1-2-6(3,4)5/h5-8,11-12H,4,9-10H2,1-3H3,(H2,27,28,32)(H4,25,26,29,30);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1=C(C=C(C=C1)NC(=O)NCCCOC2=C(C=C(C=C2)N3C(=NC(=NC3(C)C)N)N)Cl)S(=O)(=O)F	HWMUYDBDFSVLLU-UHFFFAOYSA-N
DG51779	"1-Benzylsulfinyl-2,4-dinitrobenzene"	275684	"MLS002707253; SMR001574647; 1-benzylsulfinyl-2,4-dinitrobenzene; NSC122656; cid_275684; CHEMBL1711514; BDBM83282; 1-benzylsulfinyl-2,4-dinitro-benzene; NSC-122656; 35804-37-6; 2,4-dinitro-1-(phenylmethyl)sulfinylbenzene; 2,4-dinitro-1-(phenylmethyl)sulfinyl-benzene; SR-01000880028; SR-01000880028-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	122656	.	.	.	.	306.3	C13H10N2O5S	128	414	2.3	21	0	6	3	"InChI=1S/C13H10N2O5S/c16-14(17)11-6-7-13(12(8-11)15(18)19)21(20)9-10-4-2-1-3-5-10/h1-8H,9H2"	C1=CC=C(C=C1)CS(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]	LKWVQGBAQZESOK-UHFFFAOYSA-N
DG51780	"1-Benzylsulfonyl-2,4-dinitro-benzene"	275685	"1-benzylsulfonyl-2,4-dinitro-benzene; NSC122657; 969-18-6; NSC-122657; NCIStruc1_001465; NCIStruc2_001663; SCHEMBL6115599; CHEMBL1489424; benzyl 2,4-dinitrophenyl sulfone; DTXSID70298351; ZINC1712050; CCG-36671; NCGC00014258; NCI122657; NCGC00014258-02; NCGC00097367-01; NCI60_000533"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	122657	.	.	.	.	322.3	C13H10N2O6S	134	512	2.5	22	0	6	3	"InChI=1S/C13H10N2O6S/c16-14(17)11-6-7-13(12(8-11)15(18)19)22(20,21)9-10-4-2-1-3-5-10/h1-8H,9H2"	C1=CC=C(C=C1)CS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]	HZFBXPDDUCZHGX-UHFFFAOYSA-N
DG51781	"4-[4-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid"	275908	"21320-56-9; NSC123032; DTXSID80298423; NSC-123032; Ethanesulfonic acid--4-{4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl}benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123032	.	.	.	.	541.7	C23H32FN5O5S2	185	851	.	36	3	7	8	"InChI=1S/C21H26FN5O2S.C2H6O3S/c1-21(2)26-19(23)25-20(24)27(21)17-11-7-15(8-12-17)5-3-4-6-16-9-13-18(14-10-16)30(22,28)29;1-2-6(3,4)5/h7-14H,3-6H2,1-2H3,(H4,23,24,25,26);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCCC3=CC=C(C=C3)S(=O)(=O)F)N)N)C	KRQMCFVEXGYDGI-UHFFFAOYSA-N
DG51782	Mitomycin deriv T-73	275965	"NSC123115; 16910-79-5; NCIMech_000138; MITOMYCIN DERIV T-73; CHEMBL1967909; CCG-35362; NSC-123115; NCI60_000546; T 73; See replacing CAS registry number: 16910-79-5; Azirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methyl-6-(propylamino)-, carbamate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123115	.	.	.	.	376.4	C18H24N4O5	133	804	0.6	27	3	8	7	"InChI=1S/C18H24N4O5/c1-4-5-20-12-8(2)14(23)13-11(15(12)24)9(7-27-17(19)25)18(26-3)16-10(21-16)6-22(13)18/h9-10,16,20-21H,4-7H2,1-3H3,(H2,19,25)/t9-,10+,16+,18-/m0/s1"	CCCNC1=C(C(=O)C2=C(C1=O)[C@@H]([C@]3(N2C[C@@H]4[C@H]3N4)OC)COC(=O)N)C	MFUIQIIDSGSITA-XIVHWCCNSA-N
DG51783	"L-Cysteine, S-[(4-chlorophenyl)diphenylmethyl]-"	275977	"NSC-123138; NSC123138; SCHEMBL12851543; Alanine,.alpha.-diphenylbenzyl)thio]-, L-; L-Cysteine, S-[(4-chlorophenyl)diphenylmethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123138	.	.	.	.	397.9	C22H20ClNO2S	88.6	451	2.6	27	2	4	7	"InChI=1S/C22H20ClNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)"	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)SCC(C(=O)O)N	BSTXYLCINUXYQF-UHFFFAOYSA-N
DG51784	s-[(4-Methylphenyl)(diphenyl)methyl]cysteine	275978	"61137-68-6; s-[(4-methylphenyl)(diphenyl)methyl]cysteine; NSC-123139; NSC123139; L-Cysteine, S-[(4-methylphenyl)diphenylmethyl]-; DTXSID60298441"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123139	.	.	.	.	377.5	C23H23NO2S	88.6	445	2.3	27	2	4	7	"InChI=1S/C23H23NO2S/c1-17-12-14-20(15-13-17)23(18-8-4-2-5-9-18,19-10-6-3-7-11-19)27-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)"	CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N	ZPXQDWLBSHVOEI-UHFFFAOYSA-N
DG51785	"L-Cysteine, S-[bis(4-methylphenyl)phenylmethyl]-"	275979	"NSC123140; NSC-123140; Alanine,.alpha.-di-p-tolylbenzyl)thio]-; L-Cysteine, S-[bis(4-methylphenyl)phenylmethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123140	.	.	.	.	391.5	C24H25NO2S	88.6	467	2.7	28	2	4	7	"InChI=1S/C24H25NO2S/c1-17-8-12-20(13-9-17)24(19-6-4-3-5-7-19,28-16-22(25)23(26)27)21-14-10-18(2)11-15-21/h3-15,22H,16,25H2,1-2H3,(H,26,27)"	CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)C)SCC(C(=O)O)N	MSPIKMKQZSFDCR-UHFFFAOYSA-N
DG51786	N-methyl-N-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]diazenyl]methanamine	275985	NSC123147; 27117-02-8; CHEMBL1999657; DTXSID60425134; ZINC16924215; ZINC104106118; NSC-123147; NCI60_000548	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123147	.	.	.	.	221.18	C7H10F3N5	56.6	239	2.2	15	1	7	2	"InChI=1S/C7H10F3N5/c1-4-5(12-14-15(2)3)6(13-11-4)7(8,9)10/h1-3H3,(H,11,13)"	CC1=C(C(=NN1)C(F)(F)F)N=NN(C)C	KLDRDWKGWGISSV-UHFFFAOYSA-N
DG51787	"8-Oxapentacyclo[11.7.1.02,7.09,21.015,20]henicos-1-ene-5,14-dione"	276142	NSC123399; NSC-123399	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123399	.	.	.	.	314.4	C20H26O3	43.4	590	1.7	23	0	3	0	"InChI=1S/C20H26O3/c21-11-8-9-14-17(10-11)23-16-7-3-6-15-19(16)18(14)12-4-1-2-5-13(12)20(15)22/h12-13,15-17,19H,1-10H2"	C1CCC2C(C1)C(=O)C3CCCC4C3C2=C5CCC(=O)CC5O4	VETBAJOOAOCRGE-UHFFFAOYSA-N
DG51788	NSC123461	276171	"4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid; 21320-47-8; NSC123461; DTXSID20298487; NSC-123461; Ethanesulfonic acid--4-{3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]propanamido}benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123461	.	.	.	.	591.1	C22H28ClFN6O6S2	214	972	.	38	4	8	7	"InChI=1S/C20H22ClFN6O3S.C2H6O3S/c1-20(2)27-18(23)26-19(24)28(20)14-7-3-12(16(21)11-14)4-10-17(29)25-13-5-8-15(9-6-13)32(22,30)31;1-2-6(3,4)5/h3,5-9,11H,4,10H2,1-2H3,(H,25,29)(H4,23,24,26,27);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C	YIQWJOQMMAKAOO-UHFFFAOYSA-N
DG51789	NSC123463	276175	"4-[[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid; 21322-73-6; NSC123463; DTXSID50298490; NSC-123463; Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)benzyl]ureido]-o-toluenesulfonyl fluoride (1:1); Ethanesulfonic acid--4-[({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methyl}carbamoyl)amino]-2-methylbenzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123463	.	.	.	.	571.7	C22H30FN7O6S2	226	968	.	38	5	8	6	"InChI=1S/C20H24FN7O3S.C2H6O3S/c1-12-10-14(6-9-16(12)32(21,30)31)25-19(29)24-11-13-4-7-15(8-5-13)28-18(23)26-17(22)27-20(28,2)3;1-2-6(3,4)5/h4-10H,11H2,1-3H3,(H2,24,25,29)(H4,22,23,26,27);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)NCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)S(=O)(=O)F	QNTQODOCEDOHBL-UHFFFAOYSA-N
DG51790	NSC123465	276179	"2-Chloro-4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid; 20092-08-4; NSC123465; DTXSID70298492; NSC-123465; Ethanesulfonic acid--2-chloro-4-[({[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123465	.	.	.	.	626.5	C21H26Cl2FN7O6S2	226	1020	.	39	5	8	6	"InChI=1S/C19H20Cl2FN7O3S.C2H6O3S/c1-19(2)28-16(23)27-17(24)29(19)12-5-3-10(13(20)8-12)9-25-18(30)26-11-4-6-15(14(21)7-11)33(22,31)32;1-2-6(3,4)5/h3-8H,9H2,1-2H3,(H2,25,26,30)(H4,23,24,27,28);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CNC(=O)NC3=CC(=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C	CASQZRYYMJAFEO-UHFFFAOYSA-N
DG51791	NSC123468	276185	"5-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoyl]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid; 25313-07-9; NSC123468; DTXSID30298493; NSC-123468; Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy]propyl]carbamoyl]-o-toluenesulfonyl fluoride (1:1); Ethanesulfonic acid--5-({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]propyl}carbamoyl)-2-methylbenzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123468	.	.	.	.	635.1	C24H32ClFN6O7S2	224	1050	.	41	4	9	9	"InChI=1S/C22H26ClFN6O4S.C2H6O3S/c1-13-5-6-14(11-18(13)35(24,32)33)19(31)27-9-4-10-34-17-8-7-15(12-16(17)23)30-21(26)28-20(25)29-22(30,2)3;1-2-6(3,4)5/h5-8,11-12H,4,9-10H2,1-3H3,(H,27,31)(H4,25,26,28,29);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1=C(C=C(C=C1)C(=O)NCCCOC2=C(C=C(C=C2)N3C(=NC(=NC3(C)C)N)N)Cl)S(=O)(=O)F	ZHYMXINBDXGCEQ-UHFFFAOYSA-N
DG51792	NSC123469	276187	"4-[2-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid; 25313-14-8; NSC123469; DTXSID90298494; NSC-123469; Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy]ethyl]ureido]-o-toluenesulfonyl fluoride (1:1); Ethanesulfonic acid--4-[({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]ethyl}carbamoyl)amino]-2-methylbenzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123469	.	.	.	.	636.1	C23H31ClFN7O7S2	236	1050	.	41	5	9	8	"InChI=1S/C21H25ClFN7O4S.C2H6O3S/c1-12-10-13(4-7-17(12)35(23,32)33)27-20(31)26-8-9-34-16-6-5-14(11-15(16)22)30-19(25)28-18(24)29-21(30,2)3;1-2-6(3,4)5/h4-7,10-11H,8-9H2,1-3H3,(H2,26,27,31)(H4,24,25,28,29);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)NCCOC2=C(C=C(C=C2)N3C(=NC(=NC3(C)C)N)N)Cl)S(=O)(=O)F	AURVLUQOYPAJHS-UHFFFAOYSA-N
DG51793	"3-(3,3-Dibromoprop-2-en-1-yl)-4-hydroxynaphthalene-1,2-dione"	276206	"36417-15-9; NSC123511; 3-(3,3-dibromoprop-2-en-1-yl)-4-hydroxynaphthalene-1,2-dione; DTXSID40298500; ZINC104106818; NSC-123511; 1, 2-(3,3-dibromo-2-propenyl)-3-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123511	.	.	.	.	372.01	C13H8Br2O3	54.4	447	3.2	18	1	3	2	"InChI=1S/C13H8Br2O3/c14-10(15)6-5-9-11(16)7-3-1-2-4-8(7)12(17)13(9)18/h1-4,6,16H,5H2"	C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CC=C(Br)Br)O	XORFFJDRIVKWMC-UHFFFAOYSA-N
DG51794	"2,7-Dinitro-9h-fluoren-9-one oxime"	276243	"2,7-dinitro-9h-fluoren-9-one oxime; N-(2,7-dinitrofluoren-9-ylidene)hydroxylamine; 23818-25-9; NSC123814; Oprea1_273188; SCHEMBL11582284; DTXSID90298515; ZINC1713220; CCG-233208; MCULE-5498098907; NSC-123814"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123814	.	.	.	.	285.21	C13H7N3O5	124	443	3.1	21	1	6	0	"InChI=1S/C13H7N3O5/c17-14-13-11-5-7(15(18)19)1-3-9(11)10-4-2-8(16(20)21)6-12(10)13/h1-6,17H"	C1=CC2=C(C=C1[N+](=O)[O-])C(=NO)C3=C2C=CC(=C3)[N+](=O)[O-]	ASHANQNSFRKUPX-UHFFFAOYSA-N
DG51795	"2,2-dichloro-N-[6-[(2,2-dichloroacetyl)amino]-7-methoxy-9H-fluoren-2-yl]acetamide"	276258	MLS002707333; NSC123829; CHEMBL1734262; ZINC1713231; NSC-123829; SMR001574725	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123829	.	.	.	.	448.1	C18H14Cl4N2O3	67.4	563	4.6	27	2	3	5	"InChI=1S/C18H14Cl4N2O3/c1-27-14-6-9-4-8-5-10(23-17(25)15(19)20)2-3-11(8)12(9)7-13(14)24-18(26)16(21)22/h2-3,5-7,15-16H,4H2,1H3,(H,23,25)(H,24,26)"	COC1=C(C=C2C(=C1)CC3=C2C=CC(=C3)NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl	KZWCRASEVNKSPS-UHFFFAOYSA-N
DG51796	3'-O-Methyl-evomonoside	276293	"3'-O-Methyl-evomonoside; NSC123976; 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; SCHEMBL22005898; NSC692996; NSC-123976; NSC-692996; NCI60_000562; Card-20(22)-enolide, (3.beta.,5.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123976	.	.	.	.	534.7	C30H46O8	115	968	2.1	38	3	8	4	"InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16 ,18-,19+,20-,21+,22-,24 ,25 ,26 ,27 ,28+,29-,30+/m1/s1"	CC1C(C(C(C(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O	VPUNMTHWNSJUOG-VZCPFXLZSA-N
DG51797	Sarnovide	276294	"Sarnovide; Sarnovid; MLS002701979; NSC123977; 547-07-9; AKOS024434849; MCULE-9932124570; NSC-123977; NCI60_000563; SMR001565556; Card-20(22)-enolide,14-dihydroxy-, (3.beta.,11.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123977	.	.	.	.	550.7	C30H46O9	135	1000	0.9	39	4	9	4	"InChI=1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-7-9-28(2)17(12-18)5-6-20-23(28)21(31)13-29(3)19(8-10-30(20,29)35)16-11-22(32)37-14-16/h11,15,17-21,23-27,31,33-35H,5-10,12-14H2,1-4H3"	CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC)O	SOPZOCCINHAAOP-UHFFFAOYSA-N
DG51798	"4,5,6,7-tetrachloro-3,3-bis(6-hydroxy[1,1'-biphenyl]-3-yl)-2-benzofuran-1(3H)-one"	276306	"NSC123994; NSC-123994; NCIStruc1_000309; NCIStruc2_000277; CHEMBL1368628; ZINC3954364; CCG-36249; NCGC00014267; NCI123994; 4,5,6,7-tetrachloro-3,3-bis(6-hydroxy[1,1'-biphenyl]-3-yl)-2-benzofuran-1(3H)-one; NCGC00014267-02; NCGC00097376-01; NCI60_000565; 4,6,7-tetrachloro-3,3-bis(6-hydroxybiphenyl-3-yl)isobenzofuran-1(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123994	.	.	.	.	608.3	C32H18Cl4O4	66.8	850	9.6	40	2	4	4	"InChI=1S/C32H18Cl4O4/c33-27-25-26(28(34)30(36)29(27)35)32(40-31(25)39,19-11-13-23(37)21(15-19)17-7-3-1-4-8-17)20-12-14-24(38)22(16-20)18-9-5-2-6-10-18/h1-16,37-38H"	C1=CC=C(C=C1)C2=C(C=CC(=C2)C3(C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O3)C5=CC(=C(C=C5)O)C6=CC=CC=C6)O	MFSVBYYFRYCISY-UHFFFAOYSA-N
DG51799	Harringtonine	276389	"harringtonine; Harringtonin; 26833-85-2; 2'R-Harringtonine; NSC-124147; CHEBI:5626; UNII-088662H40F; NSC124147; Alkaloid C from cephalotaxus; 088662H40F; NSC 124147; harringtonine(8ci); 1-((1S,3aR,14bS)-2-methoxy-1,5,6,8,9,14b-hexahydro-4H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]cyclopenta[b]pyrrolo[1,2-a]azepin-1-yl) 4-methyl (R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)succinate; Harringtonine (8CI); ZJ-H; SCHEMBL138806; CHEMBL433257; Cephalotaxine, 4-methyl 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester); DTXSID501016801; HY-N0862; BDBM50480315; s9063; ZINC29412110; CCG-269921; CS-3909; Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester) (9CI); AS-56357; NCI60_000568; TRANS-2-BUTENE-1,4-DICARBOXYLICACID; Q27106830; Cephalotaxine,3-[4-methyl (2R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate]; 1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate; 25302-09-4; Cephalotaxine, 4-methyl-, 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester), (3(R))-; Cephalotaxine, 4-methyl-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester), (3(R))- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	124147	.	.	.	.	531.6	C28H37NO9	124	953	0.5	38	2	10	10	"InChI=1S/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31)38-24-21(34-3)14-27-7-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,32-33H,5-11,15-16H2,1-4H3/t23-,24-,27+,28-/m1/s1"	CC(C)(CC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O	HAVJATCHLFRDHY-KSZYUSJVSA-N
DG51800	NSC124232	276432	"4-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butylcarbamoyl]benzenesulfonyl fluoride;ethanesulfonic acid; 25313-18-2; NSC124232; DTXSID00298561; NSC-124232; Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy]butyl]carbamoyl]benzenesulfonyl fluoride (1:1) (8CI) (MF2); Ethanesulfonic acid--4-({4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]butyl}carbamoyl)benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	124232	.	.	.	.	635.1	C24H32ClFN6O7S2	224	1020	.	41	4	9	10	"InChI=1S/C22H26ClFN6O4S.C2H6O3S/c1-22(2)29-20(25)28-21(26)30(22)15-7-10-18(17(23)13-15)34-12-4-3-11-27-19(31)14-5-8-16(9-6-14)35(24,32)33;1-2-6(3,4)5/h5-10,13H,3-4,11-12H2,1-2H3,(H,27,31)(H4,25,26,28,29);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCCNC(=O)C3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C	ITBUXWUKJVGXMF-UHFFFAOYSA-N
DG51801	"4-[4,4,4-Trifluoro-3-(trifluoromethyl)but-2-enoxy]naphthalene-1,2-dione"	276502	NSC124499; ZINC1713755; NSC-124499	.	.	Investigative Drug(s)	Investigative	Small molecular drug	124499	.	.	.	.	350.21	C15H8F6O3	43.4	569	3.7	24	0	9	3	"InChI=1S/C15H8F6O3/c16-14(17,18)12(15(19,20)21)5-6-24-11-7-10(22)13(23)9-4-2-1-3-8(9)11/h1-5,7H,6H2"	C1=CC=C2C(=C1)C(=CC(=O)C2=O)OCC=C(C(F)(F)F)C(F)(F)F	OOGQXVQTCYZOFF-UHFFFAOYSA-N
DG51802	"(17-Acetyloxy-17-ethynyl-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl) acetate"	276608	NSC124749; CHEMBL1974494; NSC-124749	.	.	Investigative Drug(s)	Investigative	Small molecular drug	124749	.	.	.	.	396.5	C25H32O4	52.6	857	4.4	29	0	4	5	"InChI=1S/C25H32O4/c1-6-25(29-17(3)27)14-11-22-20-8-7-18-15-19(28-16(2)26)9-12-23(18,4)21(20)10-13-24(22,25)5/h1,7,15,20-22H,8-14H2,2-5H3"	CC(=O)OC1=CC2=CCC3C(C2(CC1)C)CCC4(C3CCC4(C#C)OC(=O)C)C	CTTMENFEBDZXHA-UHFFFAOYSA-N
DG51803	S-Benzyl 4-methylbenzenesulfonothioate	276623	S-Benzyl 4-methylbenzenesulfonothioate; 16601-02-8; NSC124784; NSC 124784; 1-benzylsulfanylsulfonyl-4-methylbenzene; CHEMBL1995010; SCHEMBL11607679; DTXSID90168062; ZINC399337; AKOS000271212; S-BENZYL P-TOLUENETHIOSULFONATE; NSC-124784; 1-benzylsulfanylsulfonyl-4-methyl-benzene; NCI60_000579; p-Toluenethiosulfonic acid S-benzyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	124784	.	.	.	.	278.4	C14H14O2S2	67.8	331	3.5	18	0	3	4	"InChI=1S/C14H14O2S2/c1-12-7-9-14(10-8-12)18(15,16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)SCC2=CC=CC=C2	AJHXMWXYVYOBQI-UHFFFAOYSA-N
DG51804	"N-(3-chloro-1,4-dioxonaphthalen-2-yl)butanamide"	276685	"MLS002701980; SMR001565557; NSC124994; N-(3-chloro-1,4-dioxonaphthalen-2-yl)butanamide; cid_276685; SCHEMBL7955400; CHEMBL1704261; BDBM80757; ZINC1714195; NSC-124994; NCI60_000582; N-(3-chloro-1,4-diketo-2-naphthyl)butyramide; N-(3-chloro-1,4-dioxo-2-naphthalenyl)butanamide; Butanamide,4-dihydro-1,4-dioxonaphthalen- 2-yl)-; Naphthalen-1, 3-butanoylamino-2-chloro-1,4-dihydro-; N-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	124994	.	.	.	.	277.7	C14H12ClNO3	63.2	456	2.5	19	1	3	3	"InChI=1S/C14H12ClNO3/c1-2-5-10(17)16-12-11(15)13(18)8-6-3-4-7-9(8)14(12)19/h3-4,6-7H,2,5H2,1H3,(H,16,17)"	CCCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)Cl	QRIWUMQXJVSZPA-UHFFFAOYSA-N
DG51805	"2,2'-Disulfanediyldiquinolin-8-ol"	276707	"NSC125034; NSC-125034; CHEMBL239439; 8-Quinolinol, 2,2'-dithiobis-; NCIStruc1_001467; NCIStruc2_001671; SCHEMBL2534563; 2,2'-disulfanediyldiquinolin-8-ol; BDBM50198307; CCG-37229; NCGC00014270; NCI125034; ZINC37868596; NCGC00014270-02; NCGC00097379-01; NCI60_000583; 2-(8-hydroxyquinolin-2-yl)disulfanylquinolin-8-ol; 2-[(8-hydroxy-2-quinolyl)disulfanyl]quinolin-8-ol; 2-(2-(8-hydroxyquinolin-2-yl)disulfanyl)quinolin-8-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	125034	.	.	.	.	352.4	C18H12N2O2S2	117	390	4.5	24	2	6	3	"InChI=1S/C18H12N2O2S2/c21-13-5-1-3-11-7-9-15(19-17(11)13)23-24-16-10-8-12-4-2-6-14(22)18(12)20-16/h1-10,21-22H"	C1=CC2=C(C(=C1)O)N=C(C=C2)SSC3=NC4=C(C=CC=C4O)C=C3	XHJJWLOYIZUQTP-UHFFFAOYSA-N
DG51806	4-(N'-Carbamimidoylcarbamimidamido)benzenesulfonamide	276767	NSC125201; 5626-86-8; NSC-125201; NCIStruc1_001978; NCIStruc2_000695; CHEMBL1555189; DTXSID70971692; ZINC6021177; CCG-37608; NCGC00014273; NCI125201; MCULE-6345140455; NCGC00014273-02; NCGC00097382-01; NCI60_000589; 4-(N'-Carbamimidoylcarbamimidamido)benzenesulfonamide; 4-(N'-Carbamimidoylcarbamimidamido)benzene-1-sulfonamide; 4-((((amino(imino)methyl)amino)(imino)methyl)amino)benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	125201	.	.	.	.	256.29	C8H12N6O2S	171	412	-1.5	17	4	4	3	"InChI=1S/C8H12N6O2S/c9-7(10)14-8(11)13-5-1-3-6(4-2-5)17(12,15)16/h1-4H,(H2,12,15,16)(H6,9,10,11,13,14)"	C1=CC(=CC=C1N=C(N)N=C(N)N)S(=O)(=O)N	BRYMGHBYJDJPIS-UHFFFAOYSA-N
DG51807	"6-Methyl-5-(4-phenylbutyl)-2,4-pyrimidinediamine"	276876	"6-methyl-5-(4-phenylbutyl)pyrimidine-2,4-diamine; 1597-01-9; NSC125347; UNII-L06TDN89AB; 6-Methyl-5-(4-phenylbutyl)-2,4-pyrimidinediamine; L06TDN89AB; NSC 125347; CHEMBL1977332; DTXSID20166713; NSC-125347; NCI60_000593"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	125347	.	.	.	.	256.35	C15H20N4	77.8	253	3.2	19	2	4	5	"InChI=1S/C15H20N4/c1-11-13(14(16)19-15(17)18-11)10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H4,16,17,18,19)"	CC1=C(C(=NC(=N1)N)N)CCCCC2=CC=CC=C2	FNJDMUJSPSCFQC-UHFFFAOYSA-N
DG51808	NSC125348	276877	"3-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid; 25313-15-9; NSC125348; DTXSID40298681; NSC-125348; Ethanesulfonic acid--3-[({4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]butyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	125348	.	.	.	.	650.1	C24H33ClFN7O7S2	236	1050	.	42	5	9	10	"InChI=1S/C22H27ClFN7O4S.C2H6O3S/c1-22(2)30-19(25)29-20(26)31(22)15-8-9-18(17(23)13-15)35-11-4-3-10-27-21(32)28-14-6-5-7-16(12-14)36(24,33)34;1-2-6(3,4)5/h5-9,12-13H,3-4,10-11H2,1-2H3,(H2,27,28,32)(H4,25,26,29,30);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCCNC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)Cl)N)N)C	UWSSOUWBBVTGHS-UHFFFAOYSA-N
DG51809	"1-(Tridecylamino)propan-2-ol;2,4,6-trinitrophenol"	277027	NSC125511; CHEMBL2006897; NSC-125511	.	.	Investigative Drug(s)	Investigative	Small molecular drug	125511	.	.	.	.	486.6	C22H38N4O8	190	442	.	34	3	9	14	"InChI=1S/C16H35NO.C6H3N3O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16(2)18;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h16-18H,3-15H2,1-2H3;1-2,10H"	CCCCCCCCCCCCCNCC(C)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]	ZCPXGKUKOMTVDP-UHFFFAOYSA-N
DG51810	"3,7-Diamino-4,6-dibromo-2-methoxyfluoren-9-one"	277056	MLS002919829; NSC125541; CHEMBL1885708; ZINC1714593; NSC-125541; SMR001797429	.	.	Investigative Drug(s)	Investigative	Small molecular drug	125541	.	.	.	.	398.05	C14H10Br2N2O2	78.3	409	3.1	20	2	4	1	"InChI=1S/C14H10Br2N2O2/c1-20-10-4-7-11(12(16)13(10)18)5-2-8(15)9(17)3-6(5)14(7)19/h2-4H,17-18H2,1H3"	COC1=C(C(=C2C(=C1)C(=O)C3=CC(=C(C=C32)Br)N)Br)N	UCAXNBVCXYTFQK-UHFFFAOYSA-N
DG51811	"8-methoxy-3,9-dinitro-5H-phenanthridin-6-one"	277067	MLS002919837; NSC125552; CHEMBL2137981; ZINC16926715; NSC-125552; SMR001797437	.	.	Investigative Drug(s)	Investigative	Small molecular drug	125552	.	.	.	.	315.24	C14H9N3O6	130	516	2.1	23	1	6	1	"InChI=1S/C14H9N3O6/c1-23-13-6-10-9(5-12(13)17(21)22)8-3-2-7(16(19)20)4-11(8)15-14(10)18/h2-6H,1H3,(H,15,18)"	COC1=C(C=C2C3=C(C=C(C=C3)[N+](=O)[O-])NC(=O)C2=C1)[N+](=O)[O-]	BQSWRNVGLGMTFD-UHFFFAOYSA-N
DG51812	NSC125844	277241	"4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid; 25313-06-8; NSC125844; DTXSID50298753; NSC-125844; DS-005236; 4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-2-methyl-benzenesulfonyl fluoride; Ethanesulfonic acid--4-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]propyl}carbamoyl)amino]-2-methylbenzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	125844	.	.	.	.	650.1	C24H33ClFN7O7S2	236	1060	.	42	5	9	9	"InChI=1S/C22H27ClFN7O4S.C2H6O3S/c1-13-11-14(5-8-18(13)36(24,33)34)28-21(32)27-9-4-10-35-17-7-6-15(12-16(17)23)31-20(26)29-19(25)30-22(31,2)3;1-2-6(3,4)5/h5-8,11-12H,4,9-10H2,1-3H3,(H2,27,28,32)(H4,25,26,29,30);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)NCCCOC2=C(C=C(C=C2)N3C(=NC(=NC3(C)C)N)N)Cl)S(=O)(=O)F	BXXPJERGGYGDPP-UHFFFAOYSA-N
DG51813	NSC125845	277243	"3-Chloro-4-[[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid; NSC125845; NSC-125845"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	125845	.	.	.	.	627.5	C21H25Cl2FN6O7S2	224	1020	.	39	4	9	7	"InChI=1S/C19H19Cl2FN6O4S.C2H6O3S/c1-19(2)27-17(23)26-18(24)28(19)10-3-6-15(13(21)7-10)32-9-16(29)25-14-5-4-11(8-12(14)20)33(22,30)31;1-2-6(3,4)5/h3-8H,9H2,1-2H3,(H,25,29)(H4,23,24,26,27);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)NC3=C(C=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C	CXPPEAKWJYCICV-UHFFFAOYSA-N
DG51814	"3-[4-[3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid"	277387	NSC126228; NSC-126228	.	.	Investigative Drug(s)	Investigative	Small molecular drug	126228	.	.	.	.	541.7	C23H32FN5O5S2	185	867	.	36	3	7	8	"InChI=1S/C21H26FN5O2S.C2H6O3S/c1-21(2)26-19(23)25-20(24)27(21)17-11-5-9-15(13-17)7-3-4-8-16-10-6-12-18(14-16)30(22,28)29;1-2-6(3,4)5/h5-6,9-14H,3-4,7-8H2,1-2H3,(H4,23,24,25,26);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=CC(=CC=C3)S(=O)(=O)F)N)N)C	IJKCUMMCYLPXPS-UHFFFAOYSA-N
DG51815	Diphenyl (hydroxy(phenyl)methyl)phosphonate	277714	52364-32-6; Diphenyl (hydroxy(phenyl)methyl)phosphonate; Diphenyl [hydroxy(phenyl)methyl]phosphonate; NSC126668; MLS001243490; CHEMBL1889696; DTXSID50298874; HMS2221D24; HMS3358I20; NSC-126668; SMR000841551; SR-01000852566; SR-01000852566-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	126668	.	.	.	.	340.3	C19H17O4P	55.8	386	4	24	1	4	6	"InChI=1S/C19H17O4P/c20-19(16-10-4-1-5-11-16)24(21,22-17-12-6-2-7-13-17)23-18-14-8-3-9-15-18/h1-15,19-20H"	C1=CC=C(C=C1)C(O)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3	LGWPZWRZPMNUGB-UHFFFAOYSA-N
DG51816	3-(Acetyloxy)card-20(22)-enolide	277743	5672-24-2; 3-(acetyloxy)card-20(22)-enolide; NSC126719; DTXSID50972167; NSC-126719	.	.	Investigative Drug(s)	Investigative	Small molecular drug	126719	.	.	.	.	400.5	C25H36O4	52.6	741	5.5	29	0	4	3	"InChI=1S/C25H36O4/c1-15(26)29-18-8-10-24(2)17(13-18)4-5-19-21-7-6-20(16-12-23(27)28-14-16)25(21,3)11-9-22(19)24/h12,17-22H,4-11,13-14H2,1-3H3"	CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CCC4C5=CC(=O)OC5)C)C	KMGWMSOWTCODGN-UHFFFAOYSA-N
DG51817	Dichloroallyl lawsone	277767	"Dichloroallyl lawsone; Dichlorolapachol; Dichloroallyllawsone; Dichlorolawsone; 36417-16-0; Lawsone, dichlorallyl-; NSC 126771; NSC-126771; 2-Hydroxy-3-(3,3-dichloroallyl)-1,4-naphthoquinone; 1,4-Naphthoquinone, 2-(3,3-dichloroallyl)-3-hydroxy-; UNII-ZE2BI297KA; ZE2BI297KA; MLS002701983; CHEMBL1990817; 1,4-Naphthalenedione,2-(3,3-dichloro-2-propen-1-yl)-3-hydroxy-; 1,4-NAPHTHALENEDIONE, 2-(3,3-DICHLORO-2-PROPENYL)-3-HYDROXY-; NSC126771; BRN 1977648; NCIMech_000041; Dichloroallyl lawsone (DCL); 3-(3,3-Dichloroallyl)-2-hydroxy-1,4-naphthoquinone; CHEMBL1702849; SCHEMBL12127298; DTXSID60877371; 3-(3,3-dichloroprop-2-enyl)-4-hydroxynaphthalene-1,2-dione; BDBM50541634; CCG-35196; ZINC100590201; 1, 2-(3,3-dichloroallyl)-3-hydroxy-; NCI60_000616; SMR001565560; 2-OH NAPHTHOQUINONE,3(33DICLALLYL); 1, 2-(3,3-dichloro-2-propenyl)-3-hydroxy-; 2-(3,3-Dichloro-2-propenyl)-3-hydroxynaphthoquinone; 2-(3,3-dichloroallyl)-3-hydroxy-naphthalene-1,4-dione; 2-(3,3-Dichloro-2-propenyl)-3-hydroxy-1,4-naphthalenedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	126771	.	.	.	.	283.1	C13H8Cl2O3	54.4	447	3	18	1	3	2	"InChI=1S/C13H8Cl2O3/c14-10(15)6-5-9-11(16)7-3-1-2-4-8(7)12(17)13(9)18/h1-4,6,16H,5H2"	C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CC=C(Cl)Cl)O	LWQZLQISFLBSGW-UHFFFAOYSA-N
DG51818	DeazaUrd	277822	"DeazaUrd; MLS002919904; NSC126849; 2,4(1H,3H)-pyridinedione, 1-.beta.-D-ribofuranosyl-; ICN 1007; DAU; 39935-49-4; 1-pentofuranosylpyridine-2,4(1h,3h)-dione; NSC-126849; bmse000731; CHEMBL2004458; NCI60_000618; SMR001797503; 2,3H)-Pyridinedione, 1-.beta.-D-ribofuranosyl-; 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	126849	.	.	.	.	243.21	C10H13NO6	107	368	-1.6	17	3	6	2	"InChI=1S/C10H13NO6/c12-4-6-8(15)9(16)10(17-6)11-2-1-5(13)3-7(11)14/h1-2,6,8-10,12,15-16H,3-4H2"	C1C(=O)C=CN(C1=O)C2C(C(C(O2)CO)O)O	WIRVQQCUKDPURA-UHFFFAOYSA-N
DG51819	4-methyl-N'-(2-nitro-1-phenylethyl)benzenesulfonohydrazide	277880	NSC126933; CHEMBL1981221; NSC-126933	.	.	Investigative Drug(s)	Investigative	Small molecular drug	126933	.	.	.	.	335.4	C15H17N3O4S	112	472	2.3	23	2	6	6	"InChI=1S/C15H17N3O4S/c1-12-7-9-14(10-8-12)23(21,22)17-16-15(11-18(19)20)13-5-3-2-4-6-13/h2-10,15-17H,11H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)NNC(C[N+](=O)[O-])C2=CC=CC=C2	YBFMCODRHBETNK-UHFFFAOYSA-N
DG51820	"4-amino-1,3-dibromo-5H-phenanthridin-6-one"	278033	MLS002919924; NSC127128; CHEMBL2143726; ZINC8627886; NSC-127128; SMR001797523	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127128	.	.	.	.	368.02	C13H8Br2N2O	55.1	352	3.2	18	2	2	0	"InChI=1S/C13H8Br2N2O/c14-8-5-9(15)11(16)12-10(8)6-3-1-2-4-7(6)13(18)17-12/h1-5H,16H2,(H,17,18)"	C1=CC=C2C(=C1)C3=C(C(=C(C=C3Br)Br)N)NC2=O	HDFRODLERVAMAX-UHFFFAOYSA-N
DG51821	"6-(1,3-Benzodioxol-5-ylmethyl)benzo[d][2]benzazepine-5,7-dione"	278035	MLS002919925; 27022-18-0; NSC127130; Oprea1_051803; CHEMBL1973190; DTXSID90298959; ZINC1715670; NSC-127130; NCI60_000619; SMR001797524	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127130	.	.	.	.	357.4	C22H15NO4	55.8	559	3.8	27	0	4	2	"InChI=1S/C22H15NO4/c24-21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)22(25)23(21)12-14-9-10-19-20(11-14)27-13-26-19/h1-11H,12-13H2"	C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C5=CC=CC=C5C3=O	GBBSJVJKJAPRFA-UHFFFAOYSA-N
DG51822	"3-amino-2,8-dichloro-5H-phenanthridin-6-one"	278044	NSC127140; CHEMBL1977883; ZINC8627889; NSC-127140	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127140	.	.	.	.	279.12	C13H8Cl2N2O	55.1	352	3	18	2	2	0	"InChI=1S/C13H8Cl2N2O/c14-6-1-2-7-8-4-10(15)11(16)5-12(8)17-13(18)9(7)3-6/h1-5H,16H2,(H,17,18)"	C1=CC2=C(C=C1Cl)C(=O)NC3=CC(=C(C=C23)Cl)N	HMNIKNJZNATMSI-UHFFFAOYSA-N
DG51823	"3-Chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid"	278058	"31368-57-7; NSC127157; DTXSID60298966; NSC-127157; Ethanesulfonic acid--3-chloro-4-{4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl}benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127157	.	.	.	.	576.1	C23H31ClFN5O5S2	185	903	.	37	3	7	8	"InChI=1S/C21H25ClFN5O2S.C2H6O3S/c1-21(2)27-19(24)26-20(25)28(21)16-9-5-7-14(12-16)6-3-4-8-15-10-11-17(13-18(15)22)31(23,29)30;1-2-6(3,4)5/h5,7,9-13H,3-4,6,8H2,1-2H3,(H4,24,25,26,27);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=C(C=C(C=C3)S(=O)(=O)F)Cl)N)N)C	NEPRICDFKCWBJJ-UHFFFAOYSA-N
DG51824	"4-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid"	278062	"31368-56-6; NSC127159; DTXSID80298968; NSC-127159; Ethanesulfonic acid--4-{4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl}benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127159	.	.	.	.	576.1	C23H31ClFN5O5S2	185	895	.	37	3	7	8	"InChI=1S/C21H25ClFN5O2S.C2H6O3S/c1-21(2)27-19(24)26-20(25)28(21)16-10-9-15(18(22)13-16)6-4-3-5-14-7-11-17(12-8-14)31(23,29)30;1-2-6(3,4)5/h7-13H,3-6H2,1-2H3,(H4,24,25,26,27);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C	GHBCEECNIZMRMK-UHFFFAOYSA-N
DG51825	Flavacol	278143	"FLAVACOL; 495-98-7; 3,6-Diisobutylpyrazin-2(1H)-one; 3,6-bis(2-methylpropyl)-1H-pyrazin-2-one; NSC127442; Pyrazinol,6-diisobutyl-; CHEMBL1965563; SCHEMBL16431613; DTXSID30299001; 2(1H)-Pyrazinone,6-diisobutyl-; 3,6-diisobutyl-2(1h)-pyrazinone; ZINC8627899; NSC-127442; BS-51546; NCI60_000623; 2(1H)-Pyrazinone,6-bis(2-methylpropyl)-; E76980"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127442	.	.	.	.	208.3	C12H20N2O	41.5	301	2.1	15	1	2	4	"InChI=1S/C12H20N2O/c1-8(2)5-10-7-13-11(6-9(3)4)12(15)14-10/h7-9H,5-6H2,1-4H3,(H,14,15)"	CC(C)CC1=CN=C(C(=O)N1)CC(C)C	UYYRKEKHAYEACU-UHFFFAOYSA-N
DG51826	"1-(3-Butylsulfonyl-4-methylanilino)-4-hydroxyanthracene-9,10-dione"	278252	NSC127627; ZINC4830758; NSC-127627	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127627	.	.	.	.	449.5	C25H23NO5S	109	806	5.5	32	2	6	6	"InChI=1S/C25H23NO5S/c1-3-4-13-32(30,31)21-14-16(10-9-15(21)2)26-19-11-12-20(27)23-22(19)24(28)17-7-5-6-8-18(17)25(23)29/h5-12,14,26-27H,3-4,13H2,1-2H3"	CCCCS(=O)(=O)C1=C(C=CC(=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O)C	SOTNWEUZNKFXGN-UHFFFAOYSA-N
DG51827	"Methyl phenanthro[3,4-d][1,3]dioxole-6-carboxylate"	278267	"38288-46-9; methyl phenanthro[3,4-d][1,3]dioxole-6-carboxylate; NSC127680; DTXSID20299035; ZINC1716372; NSC-127680"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127680	.	.	.	.	280.27	C17H12O4	44.8	410	4.1	21	0	4	2	"InChI=1S/C17H12O4/c1-19-17(18)13-8-10-4-2-3-5-11(10)15-12(13)6-7-14-16(15)21-9-20-14/h2-8H,9H2,1H3"	COC(=O)C1=CC2=CC=CC=C2C3=C1C=CC4=C3OCO4	IWENRJHTKYJGKC-UHFFFAOYSA-N
DG51828	"Phenanthro[3,4-d][1,3]dioxole-6-carboxylic acid"	278273	"38288-44-7; phenanthro[3,4-d][1,3]dioxole-6-carboxylic acid; NSC127687; DTXSID40299037; ZINC1716378; NSC-127687"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127687	.	.	.	.	266.25	C16H10O4	55.8	396	3.8	20	1	4	1	"InChI=1S/C16H10O4/c17-16(18)12-7-9-3-1-2-4-10(9)14-11(12)5-6-13-15(14)20-8-19-13/h1-7H,8H2,(H,17,18)"	C1OC2=C(O1)C3=C(C=C2)C(=CC4=CC=CC=C43)C(=O)O	DPHBABDLCQBJHS-UHFFFAOYSA-N
DG51829	"4-((2-Amino-8-methyl-5,6,7,8-tetrahydro-4-quinazolinyl)methyl)-2,6-piperidinedione"	278295	"NSC127712; 28360-61-4; 4-((2-Amino-8-methyl-5,6,7,8-tetrahydro-4-quinazolinyl)methyl)-2,6-piperidinedione; NSC 127712; 4-[(2-amino-8-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)methyl]piperidine-2,6-dione; CHEMBL2001007; NSC-127712; NCI60_000630"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127712	.	.	.	.	288.34	C15H20N4O2	98	412	0.7	21	2	5	2	"InChI=1S/C15H20N4O2/c1-8-3-2-4-10-11(17-15(16)19-14(8)10)5-9-6-12(20)18-13(21)7-9/h8-9H,2-7H2,1H3,(H2,16,17,19)(H,18,20,21)"	CC1CCCC2=C(N=C(N=C12)N)CC3CC(=O)NC(=O)C3	OIEQXIBBHRIICG-UHFFFAOYSA-N
DG51830	"2-(4-Nitrophenyl)-1,3-dioxane-4,6-dione"	278502	"MLS002919981; 58413-48-2; 2-(4-nitrophenyl)-1,3-dioxane-4,6-dione; NSC128177; SCHEMBL6175110; CHEMBL1904947; DTXSID60299094; ZINC1716754; NSC-128177; SMR001797580"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128177	.	.	.	.	237.17	C10H7NO6	98.4	325	1.4	17	0	6	1	"InChI=1S/C10H7NO6/c12-8-5-9(13)17-10(16-8)6-1-3-7(4-2-6)11(14)15/h1-4,10H,5H2"	C1C(=O)OC(OC1=O)C2=CC=C(C=C2)[N+](=O)[O-]	WEFBPMUAXMHMIL-UHFFFAOYSA-N
DG51831	NSC128186	278507	"5-Chloro-2-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid; 31368-54-4; NSC128186; DTXSID40299097; NSC-128186; Ethanesulfonic acid--5-chloro-2-{4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl}benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128186	.	.	.	.	610.6	C23H30Cl2FN5O5S2	185	938	.	38	3	7	8	"InChI=1S/C21H24Cl2FN5O2S.C2H6O3S/c1-21(2)28-19(25)27-20(26)29(21)16-10-8-13(17(23)12-16)5-3-4-6-14-7-9-15(22)11-18(14)32(24,30)31;1-2-6(3,4)5/h7-12H,3-6H2,1-2H3,(H4,25,26,27,28);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=C(C=C(C=C3)Cl)S(=O)(=O)F)Cl)N)N)C	FURZNMVXZOZPJF-UHFFFAOYSA-N
DG51832	"4-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butoxy]benzenesulfonyl fluoride;ethanesulfonic acid"	278509	NSC128187; NSC-128187	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128187	.	.	.	.	608.1	C23H31ClFN5O7S2	204	932	.	39	3	9	10	"InChI=1S/C21H25ClFN5O4S.C2H6O3S/c1-21(2)27-19(24)26-20(25)28(21)14-5-10-18(17(22)13-14)32-12-4-3-11-31-15-6-8-16(9-7-15)33(23,29)30;1-2-6(3,4)5/h5-10,13H,3-4,11-12H2,1-2H3,(H4,24,25,26,27);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCCOC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C	JHXDQJJJAKQCFS-UHFFFAOYSA-N
DG51833	"Dimethyl 2-bromo-2-(1,2,3-tribromo-3-phenylpropyl)propanedioate"	278524	NSC128206; NSC-128206	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128206	.	.	.	.	565.9	C14H14Br4O4	52.6	382	4.8	22	0	4	8	"InChI=1S/C14H14Br4O4/c1-21-12(19)14(18,13(20)22-2)11(17)10(16)9(15)8-6-4-3-5-7-8/h3-7,9-11H,1-2H3"	COC(=O)C(C(C(C(C1=CC=CC=C1)Br)Br)Br)(C(=O)OC)Br	HYXIJNKPCLPKQG-UHFFFAOYSA-N
DG51834	Aracytidine 5'-O-phenylphosphate	278572	"17489-61-1; Aracytidine 5'-O-phenylphosphate; CHEMBL1969245; DTXSID40938595; NSC128280; NSC-128280; 2(1H)-Pyrimidinone, 4-amino-1-[5-O-(hydroxyphenoxyphosphinyl)-.beta.-D-arabinofuranosyl]-; Cytosinearabinoside 5'-O-phenylphosphate; Cytosine, 5'-(phenyl hydrogen phosphate); NCI60_000643; 1-{5-O-[Hydroxy(phenoxy)phosphoryl]pentofuranosyl}-4-imino-1,4-dihydropyrimidin-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128280	.	.	.	.	399.29	C15H18N3O8P	164	665	-1.1	27	4	8	6	"InChI=1S/C15H18N3O8P/c16-11-6-7-18(15(21)17-11)14-13(20)12(19)10(25-14)8-24-27(22,23)26-9-4-2-1-3-5-9/h1-7,10,12-14,19-20H,8H2,(H,22,23)(H2,16,17,21)"	C1=CC=C(C=C1)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O	FQZYOGSMSNNTQL-UHFFFAOYSA-N
DG51835	NSC128571	278692	"2-Chloro-5-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid; 31368-51-1; NSC128571; DTXSID00299159; NSC-128571; Ethanesulfonic acid--2-chloro-5-{4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl}benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128571	.	.	.	.	610.6	C23H30Cl2FN5O5S2	185	938	.	38	3	7	8	"InChI=1S/C21H24Cl2FN5O2S.C2H6O3S/c1-21(2)28-19(25)27-20(26)29(21)15-9-8-14(17(23)12-15)6-4-3-5-13-7-10-16(22)18(11-13)32(24,30)31;1-2-6(3,4)5/h7-12H,3-6H2,1-2H3,(H4,25,26,27,28);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=CC(=C(C=C3)Cl)S(=O)(=O)F)Cl)N)N)C	LOHXMZMTXDOGRC-UHFFFAOYSA-N
DG51836	1-chloro-2-nitro-5H-phenanthridin-6-one	278740	NSC128635; CHEMBL2003089; ZINC8627963; NSC-128635	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128635	.	.	.	.	274.66	C13H7ClN2O3	74.9	398	2.9	19	1	3	0	"InChI=1S/C13H7ClN2O3/c14-12-10(16(18)19)6-5-9-11(12)7-3-1-2-4-8(7)13(17)15-9/h1-6H,(H,15,17)"	C1=CC=C2C(=C1)C3=C(C=CC(=C3Cl)[N+](=O)[O-])NC2=O	CDVPJXNXZHJRIO-UHFFFAOYSA-N
DG51837	"2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl dihydrogen phosphate"	278767	"NSC128687; 25878-33-5; NSC-128687; 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl dihydrogen phosphate; CHEMBL1993126; SCHEMBL13183068; DTXSID10948762; NCI60_000651; 6H-Furo[2',4,5]oxazolo[3,2-a]pyrimidine-2-methanol, 6-imino-2,3,3a,9a-tetrahydro-3-hydroxy-, 3-(dihydrogen phosphate); 6H-Furo[2',5]oxazolo[3,2-a]pyrimidine-2-methanol, 2,3,3a,9a-tetrahydro-6-imino-3-(phosphonooxy)-, (2R-(2.alpha.,3.beta.,3a.beta.,9a.beta.))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128687	.	.	.	.	305.18	C9H12N3O7P	145	544	-4	20	4	8	3	"InChI=1S/C9H12N3O7P/c10-5-1-2-12-8-7(18-9(12)11-5)6(4(3-13)17-8)19-20(14,15)16/h1-2,4,6-8,10,13H,3H2,(H2,14,15,16)"	C1=CN2C3C(C(C(O3)CO)OP(=O)(O)O)OC2=NC1=N	MHEIPMMGYDKOAW-UHFFFAOYSA-N
DG51838	"[1]Benzothieno[3,2-h]isoquinoline"	278923	"[1]Benzothieno[3,2-h]isoquinoline; 23985-83-3; Benzo[4,5]thieno[3,2-h]isoquinoline; NSC128877; CHEMBL2003681; SCHEMBL15903438; DTXSID40946837; ZINC13284391; NSC-128877"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128877	.	.	.	.	235.31	C15H9NS	41.1	293	4.5	17	0	2	0	InChI=1S/C15H9NS/c1-2-4-14-11(3-1)12-6-5-10-7-8-16-9-13(10)15(12)17-14/h1-9H	C1=CC=C2C(=C1)C3=C(S2)C4=C(C=C3)C=CN=C4	DLIRCADEYLIGEJ-UHFFFAOYSA-N
DG51839	"Benzenebutanamide, N-(phenylmethyl)-4-bis(2-chloro-ethyl)amino]-"	278929	"MLS002920028; Benzenebutanamide, N-(phenylmethyl)-4-bis(2-chloro- ethyl)amino]-; NSC128887; CHEMBL1891517; ZINC1717234; NSC-128887; SMR001797627"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128887	.	.	.	.	393.3	C21H26Cl2N2O	32.299	374	2.9	26	1	2	11	"InChI=1S/C21H26Cl2N2O/c22-13-15-25(16-14-23)20-11-9-18(10-12-20)7-4-8-21(26)24-17-19-5-2-1-3-6-19/h1-3,5-6,9-12H,4,7-8,13-17H2,(H,24,26)"	C1=CC=C(C=C1)CNC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl	OJZUKCOMYQAOMB-UHFFFAOYSA-N
DG51840	"1-(4-fluorophenyl)-5-methyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole"	278937	NSC128895; Neuro_000063; CHEMBL2001604; ZINC1717244; NSC-128895; NCI60_000655	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128895	.	.	.	.	328.4	C22H17FN2	28.2	524	5.2	25	1	2	1	"InChI=1S/C22H17FN2/c1-13-16-10-11-24-22(14-6-8-15(23)9-7-14)18(16)12-19-17-4-2-3-5-20(17)25-21(13)19/h2-9,12,25H,10-11H2,1H3"	CC1=C2C(=CC3=C1CCN=C3C4=CC=C(C=C4)F)C5=CC=CC=C5N2	CXYGJCRYQFSCFA-UHFFFAOYSA-N
DG51841	"N-[3-(4-chlorophenyl)sulfanyl-1,4-dioxonaphthalen-2-yl]acetamide"	279002	NSC128981; SCHEMBL2599388; CHEMBL1972311; ZINC1870184; NSC-128981; NCI60_000657	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128981	.	.	.	.	357.8	C18H12ClNO3S	88.5	581	3.7	24	1	4	3	"InChI=1S/C18H12ClNO3S/c1-10(21)20-15-16(22)13-4-2-3-5-14(13)17(23)18(15)24-12-8-6-11(19)7-9-12/h2-9H,1H3,(H,20,21)"	CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)SC3=CC=C(C=C3)Cl	BNMBDUXYBKOILC-UHFFFAOYSA-N
DG51842	"3-(4-Methoxyphenyl)-5-methyl-1,3,5-thiadiazinane-2-thione"	279093	"92491-19-5; 3-(4-methoxyphenyl)-5-methyl-1,3,5-thiadiazinane-2-thione; NSC129266; CHEMBL1982415; DTXSID40919147; ZINC31689031; NSC-129266; NCI60_000661"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129266	.	.	.	.	254.4	C11H14N2OS2	73.1	254	2.8	16	0	4	2	"InChI=1S/C11H14N2OS2/c1-12-7-13(11(15)16-8-12)9-3-5-10(14-2)6-4-9/h3-6H,7-8H2,1-2H3"	CN1CN(C(=S)SC1)C2=CC=C(C=C2)OC	GPIXDVXNSJYMGF-UHFFFAOYSA-N
DG51843	"(3Ar,4r,4as,8r,8ar,9as)-8-hydroxy-8a-methyl-3,5-dimethylidene-2-oxododecahydronaphtho[2,3-b]furan-4-yl acetate"	279214	"Cyclopyrethrosin; 22553-66-8; NSC129518; (3ar,4r,4as,8r,8ar,9as)-8-hydroxy-8a-methyl-3,5-dimethylidene-2-oxododecahydronaphtho[2,3-b]furan-4-yl acetate; CHEMBL1986008; DTXSID70299343; NSC-129518; NCI60_000668"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129518	.	.	.	.	306.4	C17H22O5	72.8	565	1.6	22	1	5	2	"InChI=1S/C17H22O5/c1-8-5-6-12(19)17(4)7-11-13(9(2)16(20)22-11)15(14(8)17)21-10(3)18/h11-15,19H,1-2,5-7H2,3-4H3/t11-,12+,13+,14+,15-,17-/m0/s1"	CC(=O)O[C@H]1[C@H]2[C@H](C[C@@]3([C@@H]1C(=C)CC[C@H]3O)C)OC(=O)C2=C	IGJIZPZJCAPPBP-YQCBVSTRSA-N
DG51844	"2-Phenylpyrazino[2,3-b]quinoxaline"	279245	"80102-43-8; 2-phenylpyrazino[2,3-b]quinoxaline; NSC129585; CHEMBL1966744; DTXSID80299354; ZINC1870433; NSC-129585"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129585	.	.	.	.	258.279	C16H10N4	51.6	328	2.8	20	0	4	1	InChI=1S/C16H10N4/c1-2-6-11(7-3-1)14-10-17-15-16(20-14)19-13-9-5-4-8-12(13)18-15/h1-10H	C1=CC=C(C=C1)C2=NC3=NC4=CC=CC=C4N=C3N=C2	ILVJSCIBHRYTMB-UHFFFAOYSA-N
DG51845	"2-Chloro-5-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid"	279319	"31368-59-9; NSC129794; DTXSID00299371; NSC-129794; Ethanesulfonic acid--2-chloro-5-{4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl}benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129794	.	.	.	.	576.1	C23H31ClFN5O5S2	185	903	.	37	3	7	8	"InChI=1S/C21H25ClFN5O2S.C2H6O3S/c1-21(2)27-19(24)26-20(25)28(21)16-9-5-8-14(12-16)6-3-4-7-15-10-11-17(22)18(13-15)31(23,29)30;1-2-6(3,4)5/h5,8-13H,3-4,6-7H2,1-2H3,(H4,24,25,26,27);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=CC(=C(C=C3)Cl)S(=O)(=O)F)N)N)C	FSPCDJMMRJMTRK-UHFFFAOYSA-N
DG51846	Methyl 3-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]propanoate	279421	23465-05-6; NSC129922; CHEMBL1971215; DTXSID10946142; NSC-129922; 2-{[(Benzyloxy)(hydroxy)methylidene]amino}-N-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-3-[(triphenylmethyl)sulfanyl]propanimidato	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129922	.	.	.	.	598.7	C34H34N2O6S	139	817	5.4	43	3	7	15	"InChI=1S/C34H34N2O6S/c1-41-32(39)29(22-37)35-31(38)30(36-33(40)42-23-25-14-6-2-7-15-25)24-43-34(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21,29-30,37H,22-24H2,1H3,(H,35,38)(H,36,40)"	COC(=O)C(CO)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4	URGKCDLCQYUTLA-UHFFFAOYSA-N
DG51847	2-[(2-Hydroxynaphthalen-1-yl)amino]-4-methylpentanoic acid	279422	NSC129925; CHEMBL1991454; NSC-129925	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129925	.	.	.	.	273.33	C16H19NO3	69.6	332	4.1	20	3	4	5	"InChI=1S/C16H19NO3/c1-10(2)9-13(16(19)20)17-15-12-6-4-3-5-11(12)7-8-14(15)18/h3-8,10,13,17-18H,9H2,1-2H3,(H,19,20)"	CC(C)CC(C(=O)O)NC1=C(C=CC2=CC=CC=C21)O	RBPGXFHOIUGOGZ-UHFFFAOYSA-N
DG51848	NSC130227	279528	"5-Chloro-2-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid; 31368-41-9; NSC130227; DTXSID60953407; NSC-130227; Ethanesulfonic acid--5-chloro-2-{2-[2-chloro-4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenyl]ethyl}benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	130227	.	.	.	.	582.5	C21H26Cl2FN5O5S2	185	907	.	36	3	7	6	"InChI=1S/C19H20Cl2FN5O2S.C2H6O3S/c1-19(2)26-17(23)25-18(24)27(19)14-8-6-11(15(21)10-14)3-4-12-5-7-13(20)9-16(12)30(22,28)29;1-2-6(3,4)5/h5-10H,3-4H2,1-2H3,(H4,23,24,25,26);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCC3=C(C=C(C=C3)Cl)S(=O)(=O)F)Cl)N)N)C	XPYCIEZOJIEUKS-UHFFFAOYSA-N
DG51849	"8-Aminoquinoline-5,6-dione"	279596	"8-aminoquinoline-5,6-dione; 49797-49-1; MLS002920059; SMR001797657; 8-Amino-5,6-quinolinedione; NSC130785; 8-azanylquinoline-5,6-dione; SCHEMBL459004; 8-aminoquinoline-5,6-quinone; CHEMBL156174; cid_279596; 8-[Amino]quinoline-5,6-dione; BDBM91515; DTXSID70299444; ZINC100487146; NSC-130785"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	130785	.	.	.	.	174.16	C9H6N2O2	73	296	-0.5	13	1	4	0	"InChI=1S/C9H6N2O2/c10-6-4-7(12)9(13)5-2-1-3-11-8(5)6/h1-4H,10H2"	C1=CC2=C(C(=CC(=O)C2=O)N)N=C1	WIPMQCOMGHCENO-UHFFFAOYSA-N
DG51850	2-Bromo-8-[(dimethylamino)methyl]cyclooctan-1-one;oxalic acid	279600	NSC130789; CHEMBL1991194; NSC-130789	.	.	Investigative Drug(s)	Investigative	Small molecular drug	130789	.	.	.	.	352.22	C13H22BrNO5	94.9	265	.	20	2	6	3	"InChI=1S/C11H20BrNO.C2H2O4/c1-13(2)8-9-6-4-3-5-7-10(12)11(9)14;3-1(4)2(5)6/h9-10H,3-8H2,1-2H3;(H,3,4)(H,5,6)"	CN(C)CC1CCCCCC(C1=O)Br.C(=O)(C(=O)O)O	WEBBBOSZQRICEM-UHFFFAOYSA-N
DG51851	7-[(8-Hydroxy-5-nitro-quinolin-7-yl)methyl]-5-nitro-quinolin-8-ol	279605	"NSC130796; 76289-30-0; NSC-130796; 7-[(8-hydroxy-5-nitro-quinolin-7-yl)methyl]-5-nitro-quinolin-8-ol; NCIStruc1_001351; NCIStruc2_001911; CHEMBL1325408; SCHEMBL13856945; DTXSID50299447; ZINC1717575; CCG-37231; NCGC00014299; NCI130796; NCGC00014299-02; NCGC00097408-01; NCI60_000675; 7,7'-methylenebis(5-nitroquinolin-8-ol)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	130796	.	.	.	.	392.3	C19H12N4O6	158	573	3.3	29	2	8	2	"InChI=1S/C19H12N4O6/c24-18-10(8-14(22(26)27)12-3-1-5-20-16(12)18)7-11-9-15(23(28)29)13-4-2-6-21-17(13)19(11)25/h1-6,8-9,24-25H,7H2"	C1=CC2=C(C=C(C(=C2N=C1)O)CC3=CC(=C4C=CC=NC4=C3O)[N+](=O)[O-])[N+](=O)[O-]	IDLYRQLIMDZRHY-UHFFFAOYSA-N
DG51852	2-[[(6-Methoxyquinolin-8-yl)amino]methyl]phenol	279609	MLS000738207; SMR000528574; 2-[[(6-methoxyquinolin-8-yl)amino]methyl]phenol; 2-{[(6-methoxyquinolin-8-yl)amino]methyl}phenol; NSC130801; cid_279609; CHEMBL1477589; BDBM81110; HMS2885P18; ZINC1717579; NSC-130801; 2-[[(6-methoxy-8-quinolyl)amino]methyl]phenol; 2-[[(6-methoxy-8-quinolinyl)amino]methyl]phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	130801	.	.	.	.	280.32	C17H16N2O2	54.4	326	3.3	21	2	4	4	"InChI=1S/C17H16N2O2/c1-21-14-9-12-6-4-8-18-17(12)15(10-14)19-11-13-5-2-3-7-16(13)20/h2-10,19-20H,11H2,1H3"	COC1=CC(=C2C(=C1)C=CC=N2)NCC3=CC=CC=C3O	CXGNSWUILAKOTG-UHFFFAOYSA-N
DG51853	5-((Benzylamino)methyl)-8-quinolinol	279623	NSC130830; NSC-130830; NCIStruc1_000652; NCIStruc2_000935; CHEMBL476672; SCHEMBL2514842; CCG-37488; NCGC00014301; NCI130830; ZINC31689272; 5-((benzylamino)methyl)-8-quinolinol; NCGC00014301-02; NCGC00097410-01; NCI60_000677	.	.	Investigative Drug(s)	Investigative	Small molecular drug	130830	.	.	.	.	264.32	C17H16N2O	45.2	291	2.9	20	2	3	4	"InChI=1S/C17H16N2O/c20-16-9-8-14(15-7-4-10-19-17(15)16)12-18-11-13-5-2-1-3-6-13/h1-10,18,20H,11-12H2"	C1=CC=C(C=C1)CNCC2=C3C=CC=NC3=C(C=C2)O	CKFSZNNHRZDPJV-UHFFFAOYSA-N
DG51854	NSC131020	279748	"2-Chloro-4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride;ethanesulfonic acid; 31000-02-9; NSC131020; DTXSID30299480; NSC-131020; Ethanesulfonic acid--2-chloro-4-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]methyl}benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131020	.	.	.	.	584.5	C20H24Cl2FN5O6S2	195	909	.	36	3	8	6	"InChI=1S/C18H18Cl2FN5O3S.C2H6O3S/c1-18(2)25-16(22)24-17(23)26(18)11-4-5-14(12(19)8-11)29-9-10-3-6-15(13(20)7-10)30(21,27)28;1-2-6(3,4)5/h3-8H,9H2,1-2H3,(H4,22,23,24,25);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC(=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C	MLGKZNKZCKWMGK-UHFFFAOYSA-N
DG51855	"Tert-butyl 3,3-bis(phenylsulfonyl)propanoate"	279782	"tert-butyl 3,3-bis(phenylsulfonyl)propanoate; MLS002920080; 39837-29-1; SMR001797677; tert-butyl 3,3-bis(benzenesulfonyl)propanoate; NSC131064; cid_279782; CHEMBL1895598; BDBM83851; DTXSID20299494; ZINC1717863; NSC-131064; 3,3-dibesylpropionic acid tert-butyl ester; 3,3-bis(benzenesulfonyl)propanoic acid tert-butyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131064	.	.	.	.	410.5	C19H22O6S2	111	647	3.1	27	0	6	8	"InChI=1S/C19H22O6S2/c1-19(2,3)25-17(20)14-18(26(21,22)15-10-6-4-7-11-15)27(23,24)16-12-8-5-9-13-16/h4-13,18H,14H2,1-3H3"	CC(C)(C)OC(=O)CC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2	YNHBIXOJTJRVCJ-UHFFFAOYSA-N
DG51856	N-[2-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide	279886	NSC131184; CHEMBL1980756; ZINC4962466; NSC-131184	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131184	.	.	.	.	311.22	C13H8F3N3O3	87.8	425	3	22	1	7	2	"InChI=1S/C13H8F3N3O3/c14-13(15,16)9-3-4-10(11(6-9)19(21)22)18-12(20)8-2-1-5-17-7-8/h1-7H,(H,18,20)"	C1=CC(=CN=C1)C(=O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]	DULNYMNWPPXKON-UHFFFAOYSA-N
DG51857	[(E)-[3-methyl-5-(trifluoromethyl)pyrazol-4-ylidene]amino]-morpholino-amine	279924	MLS002701991; SMR001565568; 27117-06-2; NSC131238; CHEMBL1723919; CHEMBL1974787; DTXSID90421780; cid_45280985; BDBM100260; ZINC16932199; ZINC95548124; NSC-131238; [(E)-[3-methyl-5-(trifluoromethyl)pyrazol-4-ylidene]amino]-morpholino-amine; N-[(E)-[3-methyl-5-(trifluoromethyl)-4-pyrazolylidene]amino]-4-morpholinamine; N-[(E)-[3-methyl-5-(trifluoromethyl)pyrazol-4-ylidene]amino]morpholin-4-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131238	.	.	.	.	263.22	C9H12F3N5O	65.9	305	1.8	18	1	8	2	"InChI=1S/C9H12F3N5O/c1-6-7(8(15-13-6)9(10,11)12)14-16-17-2-4-18-5-3-17/h2-5H2,1H3,(H,13,15)"	CC1=C(C(=NN1)C(F)(F)F)N=NN2CCOCC2	ZCMKKFLZOGVHPV-UHFFFAOYSA-N
DG51858	methyl 4-[[2-cyanoethyl(methyl)amino]diazenyl]-5-methyl-1H-pyrazole-3-carboxylate	279936	NSC131250; CHEMBL1995416; ZINC18205977; ZINC104119153; NSC-131250; NCI60_000687	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131250	.	.	.	.	250.26	C10H14N6O2	107	363	1.2	18	1	7	6	"InChI=1S/C10H14N6O2/c1-7-8(9(13-12-7)10(17)18-3)14-15-16(2)6-4-5-11/h4,6H2,1-3H3,(H,12,13)"	CC1=C(C(=NN1)C(=O)OC)N=NN(C)CCC#N	XZUIPIGSXPBROB-UHFFFAOYSA-N
DG51859	4-(dimethylaminodiazenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide	279947	NSC131261; CHEMBL1991972; ZINC17820935; ZINC104119231; NSC-131261; NCI60_000689	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131261	.	.	.	.	224.26	C9H16N6O	99.7	277	1.3	16	2	5	4	"InChI=1S/C9H16N6O/c1-5(2)6-7(13-14-15(3)4)8(9(10)16)12-11-6/h5H,1-4H3,(H2,10,16)(H,11,12)"	CC(C)C1=C(C(=NN1)C(=O)N)N=NN(C)C	CZBJUVCJXXZKSJ-UHFFFAOYSA-N
DG51860	4-(dimethylaminodiazenyl)-5-propyl-1H-pyrazole-3-carboxamide	279948	NSC131262; CHEMBL1978696; ZINC16932306; ZINC104119239; NSC-131262; NCI60_000690	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131262	.	.	.	.	224.26	C9H16N6O	99.7	267	1.3	16	2	5	5	"InChI=1S/C9H16N6O/c1-4-5-6-7(13-14-15(2)3)8(9(10)16)12-11-6/h4-5H2,1-3H3,(H2,10,16)(H,11,12)"	CCCC1=C(C(=NN1)C(=O)N)N=NN(C)C	IIZWDQFXSNNCGH-UHFFFAOYSA-N
DG51861	4-(dimethylaminodiazenyl)-5-ethyl-1H-pyrazole-3-carboxamide	279949	NSC131263; CHEMBL1969345; ZINC18192150; ZINC104119241; NSC-131263; NCI60_000691	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131263	.	.	.	.	210.24	C8H14N6O	99.7	254	0.9	15	2	5	4	"InChI=1S/C8H14N6O/c1-4-5-6(12-13-14(2)3)7(8(9)15)11-10-5/h4H2,1-3H3,(H2,9,15)(H,10,11)"	CCC1=C(C(=NN1)C(=O)N)N=NN(C)C	ITDFAZXRTGZMBY-UHFFFAOYSA-N
DG51862	Methyl 4-[({4-[bis(2-chloroethyl)amino]phenoxy}carbonyl)amino]benzoate	280453	17272-99-0; methyl 4-[({4-[bis(2-chloroethyl)amino]phenoxy}carbonyl)amino]benzoate; NSC132095; DTXSID70299686; ZINC1719537; NSC-132095	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132095	.	.	.	.	411.3	C19H20Cl2N2O4	67.9	459	4.2	27	1	5	10	"InChI=1S/C19H20Cl2N2O4/c1-26-18(24)14-2-4-15(5-3-14)22-19(25)27-17-8-6-16(7-9-17)23(12-10-20)13-11-21/h2-9H,10-13H2,1H3,(H,22,25)"	COC(=O)C1=CC=C(C=C1)NC(=O)OC2=CC=C(C=C2)N(CCCl)CCCl	KSJTZCVYIBPJOW-UHFFFAOYSA-N
DG51863	(7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)imino]-oxidoazanium	280491	"NSC132230; NSC-132230; 26319-80-2; NCIStruc1_001353; NCIStruc2_001688; CHEMBL1396236; DTXSID80299697; NCGC00014316; NCI132230; ZINC104120735; NCGC00014316-02; NCGC00097425-01; NCI60_000710; 1-hydroxy-1,2-bis(7-methoxy-9H-fluoren-2-yl)-15-diazene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132230	.	.	.	.	434.5	C28H22N2O3	59.6	728	6.3	33	0	4	4	"InChI=1S/C28H22N2O3/c1-32-23-5-9-27-19(15-23)11-17-13-21(3-7-25(17)27)29-30(31)22-4-8-26-18(14-22)12-20-16-24(33-2)6-10-28(20)26/h3-10,13-16H,11-12H2,1-2H3"	COC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)N=[N+](C4=CC5=C(C=C4)C6=C(C5)C=C(C=C6)OC)[O-]	RRRRLIBKNAGCTJ-UHFFFAOYSA-N
DG51864	"Ethanesulfonic acid, compd. with 2-(2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy)acetanilide (1:1)"	280518	"MLS002920147; NSC132275; CHEMBL1883266; NSC-132275; SMR001797744; Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy)acetanilide (1:1); Ethanesulfonic acid, compd. with 2-(2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy)acetanilide (1:1); Ethanesulfonic acid,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]-N-phenylacetamide (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132275	.	.	.	.	511	C21H27ClN6O5S	181	737	.	34	4	6	6	"InChI=1S/C19H21ClN6O2.C2H6O3S/c1-19(2)25-17(21)24-18(22)26(19)13-8-9-15(14(20)10-13)28-11-16(27)23-12-6-4-3-5-7-12;1-2-6(3,4)5/h3-10H,11H2,1-2H3,(H,23,27)(H4,21,22,24,25);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3)Cl)N)N)C	DXYCOKAYFVIPKM-UHFFFAOYSA-N
DG51865	"1-[3-Chloro-4-(2-phenylethyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;ethanesulfonic acid"	280520	"NSC132276; NSC-132276; Ethanesulfonic acid,6-diamino-1-(3-chloro-4-phenethylphenyl)-1,2-dihydro-2,2-dimethyl-s-triazine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132276	.	.	.	.	466	C21H28ClN5O3S	143	629	.	31	3	4	5	"InChI=1S/C19H22ClN5.C2H6O3S/c1-19(2)24-17(21)23-18(22)25(19)15-11-10-14(16(20)12-15)9-8-13-6-4-3-5-7-13;1-2-6(3,4)5/h3-7,10-12H,8-9H2,1-2H3,(H4,21,22,23,24);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCC3=CC=CC=C3)Cl)N)N)C	PJALPVZOEKEDNL-UHFFFAOYSA-N
DG51866	"Ethanesulfonic acid-4-{6-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]hexyl}benzenesulfonyl fluoride(1:1)"	280526	"31368-47-5; NSC132279; ethanesulfonic acid- 4-{6-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]hexyl}benzenesulfonyl fluoride(1:1); CHEMBL1983129; DTXSID60299711; NSC-132279"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132279	.	.	.	.	569.7	C25H36FN5O5S2	185	882	.	38	3	7	10	"InChI=1S/C23H30FN5O2S.C2H6O3S/c1-23(2)28-21(25)27-22(26)29(23)19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(16-12-18)32(24,30)31;1-2-6(3,4)5/h9-16H,3-8H2,1-2H3,(H4,25,26,27,28);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCCCCC3=CC=C(C=C3)S(=O)(=O)F)N)N)C	BXJIWPORCRDALH-UHFFFAOYSA-N
DG51867	"7-Bromo-6-methoxy-2-methyl-5,8-quinolinedione"	280615	"7-Bromo-6-methoxy-2-methyl-5,8-quinolinedione; 61895-37-2; 7-bromo-6-methoxy-2-methylquinoline-5,8-dione; MLS002920162; NSC132492; UNII-39B2676EQC; 39B2676EQC; SMR001797759; NSC 132492; cid_280615; CHEMBL1707222; BDBM81271; DTXSID80210908; ZINC1719691; NSC-132492; NCI60_000717; 7-bromo-6-methoxy-2-methyl-quinoline-5,8-dione; 7-bromanyl-6-methoxy-2-methyl-quinoline-5,8-dione; 7-bromo-6-methoxy-2-methyl-quinoline-5,8-quinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132492	.	.	.	.	282.09	C11H8BrNO3	56.3	377	2.2	16	0	4	1	"InChI=1S/C11H8BrNO3/c1-5-3-4-6-8(13-5)10(15)7(12)11(16-2)9(6)14/h3-4H,1-2H3"	CC1=NC2=C(C=C1)C(=O)C(=C(C2=O)Br)OC	XEGBXQGPUKNRNM-UHFFFAOYSA-N
DG51868	"7-Amino-6-methoxy-2-methyl-5,8-quinolinedione"	280616	"61895-38-3; NSC132493; 7-Amino-6-methoxy-2-methyl-5,8-quinolinedione; 7-amino-6-methoxy-2-methylquinoline-5,8-dione; MLS002701994; UNII-GMO1Z5C7GU; GMO1Z5C7GU; SMR001565571; NSC 132493; NCIMech_000081; cid_280616; SCHEMBL5925143; CHEMBL1702473; BDBM81245; DTXSID40210909; 5, 7-amino-6-methoxy-2-methyl-; ZINC4963598; CCG-35197; NSC-132493; NCI60_000718; 7-amino-6-methoxy-2-methyl-quinoline-5,8-dione; 7-azanyl-6-methoxy-2-methyl-quinoline-5,8-dione; SR-01000879488; 7-amino-6-methoxy-2-methyl-quinoline-5,8-quinone; SR-01000879488-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132493	.	.	.	.	218.21	C11H10N2O3	82.3	375	0.8	16	1	5	1	"InChI=1S/C11H10N2O3/c1-5-3-4-6-8(13-5)10(15)7(12)11(16-2)9(6)14/h3-4H,12H2,1-2H3"	CC1=NC2=C(C=C1)C(=O)C(=C(C2=O)N)OC	FKAAKWCKLUDXOB-UHFFFAOYSA-N
DG51869	"Ethanesulfonic acid,6-diamino-1-[3-chloro-4-(3-phenoxypropoxy)phenyl]-1,2-dihydro-2,2-dimethyl-s-triazine (1:1)"	280859	"MLS000738223; NSC133071; CHEMBL1345159; HMS2886F16; CCG-102473; NSC-133071; SMR000528584; Ethanesulfonic acid, compd. with 4,6-diamino-1-[3-chloro-4- (3-phenoxypropoxy)phenyl]-1, 2-dihydro-2,2-dimethyl-s-triazine (1:1); Ethanesulfonic acid,6-diamino-1-[3-chloro-4-(3-phenoxypropoxy)phenyl]-1,2-dihydro-2,2-dimethyl-s-triazine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	133071	.	.	.	.	512	C22H30ClN5O5S	161	682	.	34	3	6	8	"InChI=1S/C20H24ClN5O2.C2H6O3S/c1-20(2)25-18(22)24-19(23)26(20)14-9-10-17(16(21)13-14)28-12-6-11-27-15-7-4-3-5-8-15;1-2-6(3,4)5/h3-5,7-10,13H,6,11-12H2,1-2H3,(H4,22,23,24,25);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCOC3=CC=CC=C3)Cl)N)N)C	FRSSRWCJBPVFBD-UHFFFAOYSA-N
DG51870	"3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N-(m-tolyl)propanamide"	280862	"NSC133072; CHEMBL1906845; SCHEMBL16100648; ZINC16951319; Ethanesulfonic acid, compd. with benzenepropanamide der. (1:1); 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N-(m-tolyl)propanamide; Benzenepropanamide, 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)-N-(3-methylphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	133072	.	.	.	.	378.5	C21H26N6O	109	620	1.9	28	3	2	5	"InChI=1S/C21H26N6O/c1-14-5-4-6-16(13-14)24-18(28)12-9-15-7-10-17(11-8-15)27-20(23)25-19(22)26-21(27,2)3/h4-8,10-11,13H,9,12H2,1-3H3,(H,24,28)(H4,22,23,25,26)"	CC1=CC(=CC=C1)NC(=O)CCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N	VORVOXAAGXTFNZ-UHFFFAOYSA-N
DG51871	"2-(7-Aminotriazolo[4,5-d]pyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol"	280898	"NSC133118; 28279-62-1; MLS002920190; 2-(7-aminotriazolo[4,5-d]pyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 2H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine, 2-beta-D-ribofuranosyl-; NSC-133118; CHEMBL1893228; DTXSID90299840; 2H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine, 2-.beta.-D-ribofuranosyl-; NCI60_000730; SMR001797787; {2H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine,} 2--D-ribofuranosyl-; 2H-1,3-Triazolo[4,5-d]pyrimidin-7-amine, 2-.beta.-D-ribofuranosyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	133118	.	.	.	.	268.23	C9H12N6O4	152	336	-1.7	19	4	9	2	"InChI=1S/C9H12N6O4/c10-7-4-8(12-2-11-7)14-15(13-4)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H2,10,11,12,14)"	C1=NC2=NN(N=C2C(=N1)N)C3C(C(C(O3)CO)O)O	RDPTWPVOUPSVOZ-UHFFFAOYSA-N
DG51872	"2-[7-(Dimethylamino)triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	280899	"MLS002920191; SMR001797788; 38874-44-1; NSC133119; n,n-dimethyl-3-pentofuranosyl-3h-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine; cid_280899; CHEMBL1882616; BDBM97035; DTXSID10959651; NSC-133119; 2-[7-(dimethylamino)triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol; 2-[7-(dimethylamino)-3-triazolo[4,5-d]pyrimidinyl]-5-(hydroxymethyl)oxolane-3,4-diol; 2-[7-(dimethylamino)triazolo[4,5-d]pyrimidin-3-yl]-5-methylol-tetrahydrofuran-3,4-diol; 2-[7-(dimethylamino)-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	133119	.	.	.	.	296.28	C11H16N6O4	130	375	-1.4	21	3	9	3	"InChI=1S/C11H16N6O4/c1-16(2)9-6-10(13-4-12-9)17(15-14-6)11-8(20)7(19)5(3-18)21-11/h4-5,7-8,11,18-20H,3H2,1-2H3"	CN(C)C1=NC=NC2=C1N=NN2C3C(C(C(O3)CO)O)O	JHZKUIUDOKIAQC-UHFFFAOYSA-N
DG51873	3-Acetoxymethyl-2-tribromomethylquinoline	281015	NSC133479; 3-Acetoxymethyl-2-tribromomethylquinoline; CHEMBL1971675; ZINC1720191; NSC-133479; [2-(Tribromomethyl)-3-quinolinyl]methyl acetate #	.	.	Investigative Drug(s)	Investigative	Small molecular drug	133479	.	.	.	.	451.94	C13H10Br3NO2	39.2	332	4	19	0	3	3	"InChI=1S/C13H10Br3NO2/c1-8(18)19-7-10-6-9-4-2-3-5-11(9)17-12(10)13(14,15)16/h2-6H,7H2,1H3"	CC(=O)OCC1=CC2=CC=CC=C2N=C1C(Br)(Br)Br	PNKOPSUYMMDTKJ-UHFFFAOYSA-N
DG51874	"2-(3,3-Dichloroprop-2-enoxy)naphthalene-1,4-dione"	281172	NSC133757; ZINC1720835; NSC-133757	.	.	Investigative Drug(s)	Investigative	Small molecular drug	133757	.	.	.	.	283.1	C13H8Cl2O3	43.4	422	3.1	18	0	3	3	"InChI=1S/C13H8Cl2O3/c14-12(15)5-6-18-11-7-10(16)8-3-1-2-4-9(8)13(11)17/h1-5,7H,6H2"	C1=CC=C2C(=C1)C(=O)C=C(C2=O)OCC=C(Cl)Cl	ABFVATXEXMGHDL-UHFFFAOYSA-N
DG51875	"9H-Fluoren-9-one, 2,3-dinitro-"	281255	"NSC133896; NSC-133896; 2,3-dinitro-9H-fluoren-9-one; 500576-09-0; 9H-Fluoren-9-one, 2,3-dinitro-; Compound 133896; NCIStruc1_000842; NCIStruc2_000659; CHEMBL512908; SCHEMBL8738471; BDBM25462; BDBM26612; DTXSID30964505; ZINC3954396; CCG-37530; NCGC00014329; NCI133896; NCGC00014329-02; NCGC00014329-03; NCGC00097438-01; NCGC00097438-02; NCI60_000749; 2,3-bis(hydroxy(oxido)amino)-9H-fluoren-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	133896	.	.	.	.	270.2	C13H6N2O5	109	455	2.9	20	0	5	0	InChI=1S/C13H6N2O5/c16-13-8-4-2-1-3-7(8)9-5-11(14(17)18)12(15(19)20)6-10(9)13/h1-6H	C1=CC=C2C(=C1)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])[N+](=O)[O-]	BTCGQAJWZRCLRP-UHFFFAOYSA-N
DG51876	3-Oxo-4-[(4-sulfophenyl)hydrazinylidene]naphthalene-2-carboxylic acid	281356	NSC134138; 93327-14-1; SCHEMBL92098; CHEMBL1975376; DTXSID60430627; ZINC4972340; 3-oxo-4-[(4-sulfophenyl)hydrazinylidene]naphthalene-2-carboxylic acid; ZINC104123518; NSC-134138; NCI60_000755; DS-014320	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134138	.	.	.	.	372.4	C17H12N2O6S	145	638	3.4	26	3	8	4	"InChI=1S/C17H12N2O6S/c20-16-14(17(21)22)9-10-3-1-2-4-13(10)15(16)19-18-11-5-7-12(8-6-11)26(23,24)25/h1-9,20H,(H,21,22)(H,23,24,25)"	C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)S(=O)(=O)O)O)C(=O)O	NOUGILLUWOKUKU-UHFFFAOYSA-N
DG51877	3-((4-(Aminosulfonyl)phenyl)diazenyl)-2-hydroxy-1-naphthoic acid	281365	NSC134148; NSC-134148; NCIStruc1_001315; NCIStruc2_001795; CHEMBL1551254; CHEMBL1999775; ZINC3954398; CCG-37004; NCGC00014332; NCI134148; ZINC13099120; NCGC00014332-02; NCGC00014332-03; NCGC00097441-01; NCGC00097441-02; NCI60_000758; 3-((4-(aminosulfonyl)phenyl)diazenyl)-2-hydroxy-1-naphthoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134148	.	.	.	.	371.4	C17H13N3O5S	151	639	3.2	26	3	8	4	"InChI=1S/C17H13N3O5S/c18-26(24,25)12-7-5-11(6-8-12)19-20-14-9-10-3-1-2-4-13(10)15(16(14)21)17(22)23/h1-9,21H,(H,22,23)(H2,18,24,25)"	C1=CC=C2C(=C1)C=C(C(=C2C(=O)O)O)N=NC3=CC=C(C=C3)S(=O)(=O)N	ROSNSSVBDFGLGW-UHFFFAOYSA-N
DG51878	1-Acetylthio-1-phenyl-2-nitroethane	281443	"NSC134228; 29651-81-8; CHEMBL1968446; DTXSID00299992; 1-Acetylthio-1-phenyl-2-nitroethane; .alpha.-Toluenethiol,acetate (ester); NSC-134228; NCI60_000763; Acetic acid,S-[.alpha.-(nitromethyl)benzyl] ester; Ethanethioic acid,S-(2-nitro-1-phenylethyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134228	.	.	.	.	225.27	C10H11NO3S	88.2	233	2	15	0	4	4	"InChI=1S/C10H11NO3S/c1-8(12)15-10(7-11(13)14)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3"	CC(=O)SC(C[N+](=O)[O-])C1=CC=CC=C1	YPTUXBSIFZOUKX-UHFFFAOYSA-N
DG51879	"2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid"	281451	"NSC134244; NSC-134244; NCIStruc1_001355; NCIStruc2_001755; CHEMBL1452098; ZINC1721006; CCG-36635; NCGC00014336; NCI134244; NCGC00014336-02; NCGC00097445-01; NCI60_000764; 2-naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134244	.	.	.	.	343.3	C21H13NO4	68.6	540	4.4	26	1	5	2	"InChI=1S/C21H13NO4/c23-21(24)16-10-18(22-17-4-2-1-3-15(16)17)13-6-5-12-8-19-20(26-11-25-19)9-14(12)7-13/h1-10H,11H2,(H,23,24)"	C1OC2=C(O1)C=C3C=C(C=CC3=C2)C4=NC5=CC=CC=C5C(=C4)C(=O)O	DYQGDBZUUIQJCG-UHFFFAOYSA-N
DG51880	"Alanine, 3-[(alpha,alpha-diphenylpiperonyl)thio]-, L-"	281457	"MLS002920227; 35959-94-5; 2-amino-3-[1,3-benzodioxol-5-yl(diphenyl)methyl]sulfanylpropanoic acid; Alanine, 3-[(alpha,alpha-diphenylpiperonyl)thio]-, L-; NSC134250; CHEMBL1893085; NSC-134250; SMR001797824; Alanine,.alpha.-diphenylpiperonyl)thio]-, L-; L-Cysteine,3-benzodioxol-5-yldiphenylmethyl)-; Alanine, 3-[(.alpha.,.alpha.-diphenylpiperonyl)thio]-, L-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134250	.	.	.	.	407.5	C23H21NO4S	107	529	1.8	29	2	6	7	"InChI=1S/C23H21NO4S/c24-19(22(25)26)14-29-23(16-7-3-1-4-8-16,17-9-5-2-6-10-17)18-11-12-20-21(13-18)28-15-27-20/h1-13,19H,14-15,24H2,(H,25,26)"	C1OC2=C(O1)C=C(C=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)SCC(C(=O)O)N	GOAVOFCRODIGFE-UHFFFAOYSA-N
DG51881	S-(2-acetamidoethyl) benzenecarbothioate	281604	"91133-15-2; S-(2-acetamidoethyl) benzenecarbothioate; NSC134459; S-benzoyl-N-acetyl-cysteamine; SCHEMBL9319940; CHEMBL1971917; DTXSID50300042; Acetamide, benzoate (6CI, 7CI); ZINC1721182; NSC-134459; FT-0726800; Thiobenzoic acid S-[2-(acetylamino)ethyl] ester; Benzenecarbothioic acid,S-[2-(acetylamino)ethyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134459	.	.	.	.	223.29	C11H13NO2S	71.5	225	1.6	15	1	3	5	"InChI=1S/C11H13NO2S/c1-9(13)12-7-8-15-11(14)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,13)"	CC(=O)NCCSC(=O)C1=CC=CC=C1	FFSICNPQENQANW-UHFFFAOYSA-N
DG51882	NSC134723	281830	"(11-amino-7-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl)methyl N-methylcarbamate; CHEMBL2006083; NSC134723; NSC-134723; K-31; NCI60_000772"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134723	.	.	.	.	362.4	C17H22N4O5	114	803	0	26	2	8	4	"InChI=1S/C17H22N4O5/c1-7-11(18)14(23)10-8(6-26-16(24)19-2)17(25-4)15-9(20(15)3)5-21(17)12(10)13(7)22/h8-9,15H,5-6,18H2,1-4H3,(H,19,24)"	CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)NC)OC)N4C)N	HDNPUSAWWBZZNX-UHFFFAOYSA-N
DG51883	NSC134725	281832	"(11-amino-7-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl)methyl N-ethylcarbamate; CHEMBL1968642; NSC134725; NSC-134725; K-33; NCI60_000773"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134725	.	.	.	.	376.4	C18H24N4O5	114	819	0.4	27	2	8	5	"InChI=1S/C18H24N4O5/c1-5-20-17(25)27-7-9-11-13(14(23)8(2)12(19)15(11)24)22-6-10-16(21(10)3)18(9,22)26-4/h9-10,16H,5-7,19H2,1-4H3,(H,20,25)"	CCNC(=O)OCC1C2=C(C(=O)C(=C(C2=O)N)C)N3C1(C4C(C3)N4C)OC	IKZZDSVQVJQNSV-UHFFFAOYSA-N
DG51884	"Mitomycin C, K-35 deriv."	281834	"NSC134727; K-35; Mitomycin C, K-35 deriv.; CHEMBL1984709; NSC-134727; K 35; NCI60_000774; Carbamic acid, (6-amino-1,1a,2,4,7,8,8a,8b-octahydro-8a-methoxy-5-methyl-4,7-dioxoazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl ester, [1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-; Carbamic acid, ester with 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methylazirino[2',3':3,4]-pyrrolo[1,2-a]indole-4,7-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134727	.	.	.	.	378.4	C17H22N4O6	153	805	-0.7	27	4	9	6	"InChI=1S/C17H22N4O6/c1-7-11(18)14(24)10-8(6-27-16(25)19-3-4-22)17(26-2)15-9(20-15)5-21(17)12(10)13(7)23/h8-9,15,20,22H,3-6,18H2,1-2H3,(H,19,25)"	CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)NCCO)OC)N4)N	YIFIDWHAVPVPSD-UHFFFAOYSA-N
DG51885	"2,3-Dibromo-2,3-diphenylcyclopropane-1-carboxylic acid"	281957	NSC134981; CHEMBL2000974; NSC-134981	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134981	.	.	.	.	396.07	C16H12Br2O2	37.3	358	3.8	20	1	2	3	"InChI=1S/C16H12Br2O2/c17-15(11-7-3-1-4-8-11)13(14(19)20)16(15,18)12-9-5-2-6-10-12/h1-10,13H,(H,19,20)"	C1=CC=C(C=C1)C2(C(C2(C3=CC=CC=C3)Br)C(=O)O)Br	OTXLGBBKQMNCTE-UHFFFAOYSA-N
DG51886	Scilliglaucosidin	281990	"Scilliglaucosidin; NSC135036; 510-62-3; Scillaglaucosidin; 3,14-dihydroxy-19-oxobufa-4,20,22-trienolide; Neuro_000065; CHEMBL1982770; DTXSID60965282; NSC-135036; NCI60_000786"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135036	.	.	.	.	398.5	C24H30O5	83.8	840	1.6	29	2	5	2	"InChI=1S/C24H30O5/c1-22-9-7-19-20(4-3-16-12-17(26)6-10-23(16,19)14-25)24(22,28)11-8-18(22)15-2-5-21(27)29-13-15/h2,5,12-14,17-20,26,28H,3-4,6-11H2,1H3"	CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC5=CC(CCC35C=O)O	XMFOZWPYGNDNKK-UHFFFAOYSA-N
DG51887	Hypoepistephanine	282017	HYPOEPISTEPHANINE; NSC135070; 33116-41-5; CHEMBL502779	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135070	.	.	.	.	592.7	C36H36N2O6	82	988	5.8	44	1	8	3	"InChI=1S/C36H36N2O6/c1-38-14-12-23-18-31(40-2)32-20-26(23)28(38)16-22-7-10-29(39)30(17-22)43-25-8-5-21(6-9-25)15-27-34-24(11-13-37-27)19-33(41-3)35(42-4)36(34)44-32/h5-10,17-20,28,39H,11-16H2,1-4H3"	CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)O)OC5=CC=C(CC6=NCCC7=CC(=C(C(=C76)O3)OC)OC)C=C5)OC	FKHCVUFZOFEROS-UHFFFAOYSA-N
DG51888	"Bersaldegenin 1,5-orthoacetate"	282021	"NSC135077; 23044-66-8; BERSALDEGENIN 1,5-ORTHOACETATE; NSC-135077; NCI60_000792"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135077	.	.	.	.	456.5	C26H32O7	91.3	1000	1.7	33	1	7	2	"InChI=1S/C26H32O7/c1-22-8-5-18-19(26(22,29)10-7-17(22)15-3-4-21(28)30-13-15)6-9-24-12-16-11-20(25(18,24)14-27)32-23(2,31-16)33-24/h3-4,13-14,16-20,29H,5-12H2,1-2H3"	CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC56C3(C7CC(C5)OC(O7)(O6)C)C=O	QMZMTFLDQTWANC-UHFFFAOYSA-N
DG51889	"2-Nitro-3-phenylspiro[cyclopropane-1,9'-fluorene]"	282082	"MLS002920260; 34166-91-1; SMR001797856; 2-nitro-3-phenylspiro[cyclopropane-1,9'-fluorene]; NSC135168; cid_282082; CHEMBL1892064; SCHEMBL15413682; BDBM94065; DTXSID50300168; NSC-135168; 2-nitro-3-phenylspiro[cyclopropane-1,9''-fluorene]; 2-nitro-3-phenyl-spiro[cyclopropane-1,9''-fluorene]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135168	.	.	.	.	313.3	C21H15NO2	45.8	485	4.7	24	0	2	1	"InChI=1S/C21H15NO2/c23-22(24)20-19(14-8-2-1-3-9-14)21(20)17-12-6-4-10-15(17)16-11-5-7-13-18(16)21/h1-13,19-20H"	C1=CC=C(C=C1)C2C(C23C4=CC=CC=C4C5=CC=CC=C35)[N+](=O)[O-]	LWKKJTAKWDOTEK-UHFFFAOYSA-N
DG51890	Acetylmarinobufagin	282302	"Acetylmarinobufogenin; Acetylmarinobufagin; Marinobufagin, 3-acetyl-; 4029-68-9; 3-(acetyloxy)-5-hydroxy-14,15-epoxybufa-20,22-dienolide; Neuro_000067; DTXSID30960724; NSC135687; NSC-135687; 5.beta.-Bufa-20,22-dienolide, 14,15.beta.-epoxy-3.beta.,5-dihydroxy-, 3-acetate; Bufa-20,22-dienolide, 3-(acetyloxy)-14,15-epoxy-5-hydroxy-, (3.beta.,5.beta.,15.beta.)-; NCI60_000796; 5.beta.-Bufa-20, 14,15.beta.-epoxy-3.beta.,5-dihydroxy-, 3-acetate; 3-.beta.,5-Dihydroxy-14,15-.beta.-epoxy-5-.beta.-bufa-20,22-dienolide 3-acetate; 5-.beta.-Bufa-20,22-dienolide, 3-.beta.,5-dihydroxy-14,15-.beta.-epoxy-, 3-acetate; Bufa-20, 3-(acetyloxy)-14,15-epoxy-5-hydroxy-, (3.beta.,5.beta.,15.beta.)-; 5a-Hydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)hexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-7-yl acetate #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135687	.	.	.	.	442.5	C26H34O6	85.4	939	3.1	32	1	6	3	"InChI=1S/C26H34O6/c1-15(27)31-17-6-9-23(2)18-7-10-24(3)20(16-4-5-22(28)30-14-16)12-21-26(24,32-21)19(18)8-11-25(23,29)13-17/h4-5,14,17-21,29H,6-13H2,1-3H3"	CC(=O)OC1CCC2(C3CCC4(C(CC5C4(C3CCC2(C1)O)O5)C6=COC(=O)C=C6)C)C	SMEFDRPJDZWFRJ-UHFFFAOYSA-N
DG51891	"4-(Diphenylphosphoryl)-2-methoxy-1,2-diphenylbutan-1-one"	282323	"4-(diphenylphosphoryl)-2-methoxy-1,2-diphenylbutan-1-one; 22950-51-2; NSC135734; SCHEMBL3267061; DTXSID10300260; AKOS024427472; NSC-135734"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135734	.	.	.	.	454.5	C29H27O3P	43.4	630	5.6	33	0	3	9	"InChI=1S/C29H27O3P/c1-32-29(25-16-8-3-9-17-25,28(30)24-14-6-2-7-15-24)22-23-33(31,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,22-23H2,1H3"	COC(CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)C4=CC=CC=C4	OIVDQKVHFRFEEQ-UHFFFAOYSA-N
DG51892	"3,4,5,6-Tetramethylphenanthrene-9,10-dione"	282415	"MLS002702000; 17825-40-0; SMR001565577; 3,4,5,6-tetramethylphenanthrene-9,10-dione; NSC135880; cid_282415; SCHEMBL9270298; CHEMBL1698715; DTXSID70300302; BDBM114200; ZINC1722241; NSC-135880; NCI60_000805; 3,4,5,6-tetramethylphenanthrene-9,10-quinone; SR-01000880100; SR-01000880100-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135880	.	.	.	.	264.3	C18H16O2	34.1	387	4.1	20	0	2	0	"InChI=1S/C18H16O2/c1-9-5-7-13-15(11(9)3)16-12(4)10(2)6-8-14(16)18(20)17(13)19/h5-8H,1-4H3"	CC1=C(C2=C(C=C1)C(=O)C(=O)C3=C2C(=C(C=C3)C)C)C	JTMGCXDRWXHOND-UHFFFAOYSA-N
DG51893	"3,4-Dichloro-2h-chromen-2-one"	282447	"3,4-dichloro-2h-chromen-2-one; 5117-56-6; NSC135925; 3,4-dichlorocoumarin; 3,4-dichloro-coumarin; SCHEMBL2540914; DTXSID60300316; ZINC1722296; AKOS016844928; MCULE-7635248092; NSC-135925"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135925	.	.	.	.	215.03	C9H4Cl2O2	26.3	273	3.1	13	0	2	0	InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)13-9(12)8(7)11/h1-4H	C1=CC=C2C(=C1)C(=C(C(=O)O2)Cl)Cl	LUXWWAWZBUBXEP-UHFFFAOYSA-N
DG51894	"3,4,6-Trichloro-5,7-dimethyl-2h-chromen-2-one"	282451	"5250-41-9; 3,4,6-trichloro-5,7-dimethyl-2h-chromen-2-one; NSC135929; CHEMBL1966467; DTXSID80300318; ZINC1722299; NSC-135929; NCI60_000807"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135929	.	.	.	.	277.5	C11H7Cl3O2	26.3	353	4.5	16	0	2	0	"InChI=1S/C11H7Cl3O2/c1-4-3-6-7(5(2)8(4)12)9(13)10(14)11(15)16-6/h3H,1-2H3"	CC1=CC2=C(C(=C1Cl)C)C(=C(C(=O)O2)Cl)Cl	GEDSDJKKACCVPG-UHFFFAOYSA-N
DG51895	P-Ara-C	282479	"P-Ara-C; MLS002703013; Palmo-Ara-C; Palmitoyl cytarabine; Palm O-ara-C; NSC135962; Aracytidine 5'-palmitate; Cytosine, 5'-palmitate; 1-.beta.-D-Arabinofuranosylcytosine 5'-palmitoyl ester; CHEMBL65349; DTXSID70953190; NSC-135962; 2(1H)-Pyrimidinone, 4-amino-1-[5-O-(1-oxohexadecyl)-.beta.-D-arabinofuranosyl]-; NCI60_000808; SMR001566821; 1-.beta.-D-Arabinofuranosylcytosine 5'-palmitate; 1-(5-O-Hexadecanoylpentofuranosyl)-4-imino-1,4-dihydropyrimidin-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135962	.	.	.	.	481.6	C25H43N3O6	135	684	5.6	34	3	6	18	"InChI=1S/C25H43N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(29)33-18-19-22(30)23(31)24(34-19)28-17-16-20(26)27-25(28)32/h16-17,19,22-24,30-31H,2-15,18H2,1H3,(H2,26,27,32)"	CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O	SHBAKEKBTCPUFI-UHFFFAOYSA-N
DG51896	Antibiotic AT-116	282522	Pentalenolactone; NSC136036; Antibiotic AT-116; CHEMBL1999838; SCHEMBL15413366; NSC-136036; NCI60_000819	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136036	.	.	.	.	276.28	C15H16O5	76.1	603	0.6	20	1	5	1	"InChI=1S/C15H16O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17)"	CC1C2C=C(C3C2(C=C1C)C4(CO4)C(=O)OC3)C(=O)O	NUPNVWUYFVEAIT-UHFFFAOYSA-N
DG51897	"N-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-(2-methoxyphenyl)acetamide"	282598	"MLS002920361; SMR001797954; NSC136268; cid_282598; CHEMBL1865393; BDBM83283; ZINC1722488; N-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-(2-methoxyphenyl)acetamide; NSC-136268; N-(3-chloro-1,4-diketo-2-naphthyl)-N-(2-methoxyphenyl)acetamide; N-(3-chloro-1,4-dioxo-2-naphthalenyl)-N-(2-methoxyphenyl)acetamide; N-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]-N-(2-methoxyphenyl)ethanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136268	.	.	.	.	355.8	C19H14ClNO4	63.7	615	3.4	25	0	4	3	"InChI=1S/C19H14ClNO4/c1-11(22)21(14-9-5-6-10-15(14)25-2)17-16(20)18(23)12-7-3-4-8-13(12)19(17)24/h3-10H,1-2H3"	CC(=O)N(C1=CC=CC=C1OC)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl	NESAYAUVALVXLY-UHFFFAOYSA-N
DG51898	"2,6-Dichlorophenanthridine"	282601	"38052-81-2; 2,6-dichlorophenanthridine; NSC136274; DTXSID20300352; ZINC1722491; NSC-136274"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136274	.	.	.	.	248.1	C13H7Cl2N	12.9	258	5	16	0	1	0	InChI=1S/C13H7Cl2N/c14-8-5-6-12-11(7-8)9-3-1-2-4-10(9)13(15)16-12/h1-7H	C1=CC=C2C(=C1)C3=C(C=CC(=C3)Cl)N=C2Cl	BTISIQJTOTUWFG-UHFFFAOYSA-N
DG51899	"2-[1,1'-Biphenyl]-4-ylbenzo[g]quinoline-4-carboxylic acid"	282667	"NSC136469; NSC-136469; 500579-00-0; NCIStruc1_001461; NCIStruc2_001746; BIDD:GT0577; CHEMBL1555823; SCHEMBL16292443; DTXSID80300373; ZINC1722557; CCG-36930; NCGC00014349; NCI136469; 2-biphenyl-4-yl-quinoline-4-carboxylic; NCGC00014349-02; NCGC00097458-01; NCI60_000825; 2-[1,1'-biphenyl]-4-ylbenzo[g]quinoline-4-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136469	.	.	.	.	375.4	C26H17NO2	50.2	563	5.9	29	1	3	3	"InChI=1S/C26H17NO2/c28-26(29)23-16-24(19-12-10-18(11-13-19)17-6-2-1-3-7-17)27-25-15-21-9-5-4-8-20(21)14-22(23)25/h1-16H,(H,28,29)"	C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC5=CC=CC=C5C=C4C(=C3)C(=O)O	UKUYQFXKQFWUJO-UHFFFAOYSA-N
DG51900	Dibenzoylfuran deriv	282697	"DIBENZOYLFURAN DERIV; 22600-28-8; NSC136513; UNII-9P5SXX37TS; 9P5SXX37TS; Furan, 3-piperonyloyl-4-(3,4, 5-trimethoxybenzoyl)-; MLS002702007; SMR000528850; NSC 136513; Neuro_000072; MLS000766238; Furan,4,5-trimethoxybenzoyl)-; CHEMBL1368683; SCHEMBL15413352; DTXSID40177124; HMS2883G20; ZINC1722585; NSC-136513; NCGC00246732-01; NCI60_000829; 3-Piperonyloyl-4-(3,4,5-trimethoxybenzoyl)-furan; 1,3-benzodioxol-5-yl-[4-(3,4,5-trimethoxybenzoyl)-3-furyl]methanone; Benzo[d][1,3]dioxol-5-yl(4-(3,4,5-trimethoxybenzoyl)furan-3-yl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136513	.	.	.	.	410.4	C22H18O8	93.4	610	3.4	30	0	8	7	"InChI=1S/C22H18O8/c1-25-18-7-13(8-19(26-2)22(18)27-3)21(24)15-10-28-9-14(15)20(23)12-4-5-16-17(6-12)30-11-29-16/h4-10H,11H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C(=O)C2=COC=C2C(=O)C3=CC4=C(C=C3)OCO4	VYYTXYSWNCYNIT-UHFFFAOYSA-N
DG51901	"5-Ethoxy-7-hydroxy-4a,9-dimethyl-3-methylenedecahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-one"	282785	"NSC136720; 5-Ethoxy-7-hydroxy-4a,9-dimethyl-3-methylenedecahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-one; CHEMBL1991146; NSC-136720; NCI60_000835; 1-ethoxy-3-hydroxy-5,10a-dimethyl-9-methylene-3,4,4a,5,6,6a,9a,10-octahydro-1H-furo[[ ]:[ ]]cyclohepta[[ ]]pyran-8-one; 14-ethoxy-12-hydroxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136720	.	.	.	.	310.4	C17H26O5	65	476	2.6	22	1	5	2	"InChI=1S/C17H26O5/c1-5-20-16-17(4)8-11-10(3)15(19)21-13(11)6-9(2)12(17)7-14(18)22-16/h9,11-14,16,18H,3,5-8H2,1-2,4H3"	CCOC1C2(CC3C(CC(C2CC(O1)O)C)OC(=O)C3=C)C	UIFSGDQXHQSWGC-UHFFFAOYSA-N
DG51902	Paucin 3	282787	"PAUCIN 3; CHEMBL1996732; NSC136722; NSC-136722; NCI60_000837; Ambros-11[13]-en-12-oic acid,8.beta.-dihydroxy-4-oxo-, .gamma.-lactone, 2-.beta.-D-glucopyranoside 6'-acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136722	.	.	.	.	468.5	C23H32O10	149	841	-0.2	33	3	10	5	"InChI=1S/C23H32O10/c1-9-5-13-12(10(2)21(29)31-13)7-23(4)16(25)6-14(17(9)23)32-22-20(28)19(27)18(26)15(33-22)8-30-11(3)24/h9,12-15,17-20,22,26-28H,2,5-8H2,1,3-4H3/t9-,12-,13-,14+,15 ,17-,18 ,19 ,20 ,22 ,23-/m1/s1"	C[C@@H]1C[C@@H]2[C@H](C[C@]3([C@H]1[C@H](CC3=O)OC4C(C(C(C(O4)COC(=O)C)O)O)O)C)C(=C)C(=O)O2	GUDGKGBWXIZDPA-SRSBAEBFSA-N
DG51903	"1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-pyrrole-2,5-dione"	282938	"1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-pyrrole-2,5-dione; 37597-19-6; 1-(3,4-dimethoxyphenethyl)-1H-pyrrole-2,5-dione; 1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrole-2,5-dione; MLS002702008; 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione; NSC137049; Cyto8B7; IFLab1_005528; CHEMBL1729789; SCHEMBL14678150; ZINC96637; DTXSID60300452; HMS1427L06; STK324768; AKOS000116731; MCULE-5454720712; NSC-137049; IDI1_010931; NCI60_000841; SMR001565583; CS-0219386; EN300-03869; 1-(3,4-Dimethoxyphenethyl)-3-pyrroline-2,5-dione; F1383-0005; 1-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	137049	.	.	.	.	261.269	C14H15NO4	55.8	362	1	19	0	4	5	"InChI=1S/C14H15NO4/c1-18-11-4-3-10(9-12(11)19-2)7-8-15-13(16)5-6-14(15)17/h3-6,9H,7-8H2,1-2H3"	COC1=C(C=C(C=C1)CCN2C(=O)C=CC2=O)OC	VTEURHGUCFTVGM-UHFFFAOYSA-N
DG51904	"1-Cyclododecyl-1h-pyrrole-2,5-dione"	282944	"1-cyclododecyl-1h-pyrrole-2,5-dione; 1-cyclododecylpyrrole-2,5-dione; 53629-18-8; NSC137055; N-Cyclododecylmaleimide; SCHEMBL1059882; ZINC96663; DTXSID80300454; CCG-53017; AKOS024369825; MCULE-7207247317; NSC-137055; SR-01000642210-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	137055	.	.	.	.	263.37	C16H25NO2	37.4	319	4.5	19	0	2	1	"InChI=1S/C16H25NO2/c18-15-12-13-16(19)17(15)14-10-8-6-4-2-1-3-5-7-9-11-14/h12-14H,1-11H2"	C1CCCCCC(CCCCC1)N2C(=O)C=CC2=O	MHEFNZSCICKHDS-UHFFFAOYSA-N
DG51905	Kalafungin	283138	"KALAFUNGIN; MLS002920403; NSC137443; Antibiotic U-19,718; SMR001797995; 4-hydroxy-17-methyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione; cid_283138; U 19718; U-19,718; hydroxy(methyl)[ ]trione; SCHEMBL396216; CHEMBL1988648; DTXSID40864305; BDBM114207; 2H-Furo[3,3-d]pyran-2,6,11-trione, 3,3a,5,11b-tetrahydro-7-hydroxy-5-methyl-; 2H-Furo[3,3-d]pyran-2,6,11-trione, 3,3a,5,11b-tetrahydro-7-hydroxy-5-methyl-, [3aR-(3a.alpha.,5.alpha.,11b.alpha.)]-; 3,3a,5,11b-Tetrahydro-7-hydroxy-5-methyl-2H-furo[3,2-b]naphtho[2,3-d]pyran-2,6,11-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	137443	.	.	.	.	300.26	C16H12O6	89.9	606	1	22	1	6	0	"InChI=1S/C16H12O6/c1-6-11-13(16-9(21-6)5-10(18)22-16)14(19)7-3-2-4-8(17)12(7)15(11)20/h2-4,6,9,16-17H,5H2,1H3"	CC1C2=C(C3C(O1)CC(=O)O3)C(=O)C4=C(C2=O)C(=CC=C4)O	XUWPJKDMEZSVTP-UHFFFAOYSA-N
DG51906	"2-bromo-N-[(2-imino-4-methyl-1,3-thiazol-5-ylidene)amino]aniline"	283260	"NSC137633; 33174-93-5; CHEMBL1995472; DTXSID70423520; 2-bromo-N-[(2-imino-4-methyl-1,3-thiazol-5-ylidene)amino]aniline; ZINC16953677; AKOS003610899; ZINC104128597; NSC-137633; NCI60_000852; DS-013024"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	137633	.	.	.	.	297.18	C10H9BrN4S	91.9	263	3.8	16	1	5	2	"InChI=1S/C10H9BrN4S/c1-6-9(16-10(12)13-6)15-14-8-5-3-2-4-7(8)11/h2-5H,1H3,(H2,12,13)"	CC1=C(SC(=N1)N)N=NC2=CC=CC=C2Br	KBPPJJJWOGWJHT-UHFFFAOYSA-N
DG51907	"(5Z)-5-[2-(2,5-Dichloro-4-nitrophenyl)hydrazinylidene]-4-methyl-1,3-thiazol-2(5H)-imine"	283262	"33175-12-1; NSC137635; CHEMBL1968577; DTXSID40715126; ZINC16953683; ZINC104128606; NSC-137635; (5Z)-5-[2-(2,5-Dichloro-4-nitrophenyl)hydrazinylidene]-4-methyl-1,3-thiazol-2(5H)-imine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	137635	.	.	.	.	332.17	C10H7Cl2N5O2S	138	396	4.2	20	1	7	2	"InChI=1S/C10H7Cl2N5O2S/c1-4-9(20-10(13)14-4)16-15-7-2-6(12)8(17(18)19)3-5(7)11/h2-3H,1H3,(H2,13,14)"	CC1=C(SC(=N1)N)N=NC2=CC(=C(C=C2Cl)[N+](=O)[O-])Cl	BEOGUAZIXAMUJG-UHFFFAOYSA-N
DG51908	"Benzeneacetamide, 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)-N-phenyl-"	283278	"UNII-4JFU223OXO; 4JFU223OXO; Benzeneacetamide, 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)-N-phenyl-; 19188-64-8; NSC137765; Acetanilide, 2-(m-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenyl)-; Acetanilide, 2-[m-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenyl]-; NSC 137765; CHEMBL1907377; DTXSID40172730; ZINC1723221; 2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N-phenyl-acetamide; 3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)-N-phenylbenzeneacetamide; 1-[3-[2-(Phenylamino)-2-oxoethyl]phenyl]-2,2-dimethyl-4,6-diamino-1,2-dihydro-1,3,5-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	137765	.	.	.	.	350.4	C19H22N6O	109	579	1.2	26	3	2	4	"InChI=1S/C19H22N6O/c1-19(2)24-17(20)23-18(21)25(19)15-10-6-7-13(11-15)12-16(26)22-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,22,26)(H4,20,21,23,24)"	CC1(N=C(N=C(N1C2=CC=CC(=C2)CC(=O)NC3=CC=CC=C3)N)N)C	JXPRDUBHFIPHBZ-UHFFFAOYSA-N
DG51909	"(4-(1,3-Dihydro-2H-pyrrolo[3,4-b]quinolin-2-ylcarbonyl)-2-oxotetrahydro-3-furanyl)methyl acetate"	283490	"NSC138333; CHEMBL1989489; NSC-138333; (4-(1,3-Dihydro-2H-pyrrolo[3,4-b]quinolin-2-ylcarbonyl)-2-oxotetrahydro-3-furanyl)methyl acetate; NCI60_000864; [4-(1,3-dihydropyrrolo[3,4-b]quinoline-2-carbonyl)-2-oxo-tetrahydrofuran-3-yl]methyl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	138333	.	.	.	.	354.4	C19H18N2O5	85.8	595	0.6	26	0	6	4	"InChI=1S/C19H18N2O5/c1-11(22)25-10-15-14(9-26-19(15)24)18(23)21-7-13-6-12-4-2-3-5-16(12)20-17(13)8-21/h2-6,14-15H,7-10H2,1H3"	CC(=O)OCC1C(COC1=O)C(=O)N2CC3=CC4=CC=CC=C4N=C3C2	CYNXEFBQUHGDIH-UHFFFAOYSA-N
DG51910	"4-(2-Chloroacetyl)-6,7-dimethyl-1,3-dihydroquinoxalin-2-one"	283529	NSC138389; MLS002920450; CHEMBL1886450; ZINC4984363; NSC-138389; SMR001798041	.	.	Investigative Drug(s)	Investigative	Small molecular drug	138389	.	.	.	.	252.69	C12H13ClN2O2	49.4	335	1.6	17	1	2	1	"InChI=1S/C12H13ClN2O2/c1-7-3-9-10(4-8(7)2)15(12(17)5-13)6-11(16)14-9/h3-4H,5-6H2,1-2H3,(H,14,16)"	CC1=CC2=C(C=C1C)N(CC(=O)N2)C(=O)CCl	VSDDGURPBRNRLS-UHFFFAOYSA-N
DG51911	"Cytosine, 2',3',5'-tributyrate"	283562	"NSC138429; 34409-15-9; CHEMBL1974042; DTXSID20300711; Cytosine, 2',3',5'-tributyrate; NSC-138429; NCI60_000867; 2(1H)-Pyrimidinone,3,5-tris-O-(1-oxobutyl)-.beta.-D-arabinofuranosyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	138429	.	.	.	.	453.5	C21H31N3O8	147	766	1.7	32	1	8	14	"InChI=1S/C21H31N3O8/c1-4-7-15(25)29-12-13-18(31-16(26)8-5-2)19(32-17(27)9-6-3)20(30-13)24-11-10-14(22)23-21(24)28/h10-11,13,18-20H,4-9,12H2,1-3H3,(H2,22,23,28)"	CCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)OC(=O)CCC)OC(=O)CCC	ABSMYRQJATYHGU-UHFFFAOYSA-N
DG51912	"2-((2,4,7-trichloro-9H-fluoren-9-yl)amino)ethanol"	283705	"NSC138756; NSC-138756; NCIStruc1_001625; NCIStruc2_001919; 2-((2,4,7-trichloro-9H-fluoren-9-yl)amino)ethanol; CHEMBL1985821; NCI60_000872"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	138756	.	.	.	.	328.6	C15H12Cl3NO	32.299	343	3.9	20	2	2	3	"InChI=1S/C15H12Cl3NO/c16-8-1-2-10-11(5-8)15(19-3-4-20)12-6-9(17)7-13(18)14(10)12/h1-2,5-7,15,19-20H,3-4H2"	C1=CC2=C(C=C1Cl)C(C3=C2C(=CC(=C3)Cl)Cl)NCCO	DUJIUZARXIXFNP-UHFFFAOYSA-N
DG51913	"1,2,4,5-Tetrazine-3,6-diylbis(phenylmethanone)"	283962	"14141-62-9; 1,2,4,5-tetrazine-3,6-diylbis(phenylmethanone); NSC139235; CHEMBL1971093; DTXSID00300850; NSC-139235; NCI60_000877"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	139235	.	.	.	.	290.28	C16H10N4O2	85.7	357	2	22	0	6	4	InChI=1S/C16H10N4O2/c21-13(11-7-3-1-4-8-11)15-17-19-16(20-18-15)14(22)12-9-5-2-6-10-12/h1-10H	C1=CC=C(C=C1)C(=O)C2=NN=C(N=N2)C(=O)C3=CC=CC=C3	FZZXVLFGIDSYHO-UHFFFAOYSA-N
DG51914	3-benzyl-5-phenyl-1H-pyrazole	283965	"3-benzyl-5-phenyl-1H-pyrazole; 21917-99-7; 5-benzyl-3-phenyl-1H-pyrazole; NSC139240; 1H-Pyrazole,3-phenyl-5-(phenylmethyl)-; CHEMBL1974652; DTXSID20300852; ZINC331497; AKOS024322719; MCULE-5537991573; NSC-139240; 3-PHENYL-5-BENZYL-1H-PYRAZOLE; DS-002991; FT-0616333"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	139240	.	.	.	.	234.29	C16H14N2	28.7	242	3.8	18	1	1	3	"InChI=1S/C16H14N2/c1-3-7-13(8-4-1)11-15-12-16(18-17-15)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,17,18)"	C1=CC=C(C=C1)CC2=CC(=NN2)C3=CC=CC=C3	ZLVBMDHJLBYKFG-UHFFFAOYSA-N
DG51915	"2-(Aziridin-1-yl)-3-methylnaphthalene-1,4-dione"	283978	"2-(aziridin-1-yl)-3-methylnaphthalene-1,4-dione; 49861-16-7; NSC139346; CHEMBL1995822; DTXSID60300856; ZINC5052067; NSC-139346; DS-003904; 2-(1-Aziridinyl)-3-methyl-1,4-naphthoquinone; 2-Aziridin-1-yl-3-methyl-naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	139346	.	.	.	.	213.23	C13H11NO2	37.2	393	1.5	16	0	3	1	"InChI=1S/C13H11NO2/c1-8-11(14-6-7-14)13(16)10-5-3-2-4-9(10)12(8)15/h2-5H,6-7H2,1H3"	CC1=C(C(=O)C2=CC=CC=C2C1=O)N3CC3	DKRIJMBORYUEEM-UHFFFAOYSA-N
DG51916	"2-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-morpholin-4-ylethanone;ethanesulfonic acid"	284536	"MLS002920511; 50507-91-0; NSC140380; CHEMBL1893299; DTXSID90301013; NSC-140380; SMR001798100; DS-012810; 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-morpholin-4-yl-ethanone; Ethanesulfonic acid, compd. with 4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]acetyl]morpholine (1:1) (MF2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	140380	.	.	.	.	505	C19H29ClN6O6S	182	725	.	33	3	7	5	"InChI=1S/C17H23ClN6O3.C2H6O3S/c1-17(2)22-15(19)21-16(20)24(17)11-3-4-13(12(18)9-11)27-10-14(25)23-5-7-26-8-6-23;1-2-6(3,4)5/h3-4,9H,5-8,10H2,1-2H3,(H4,19,20,21,22);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)Cl)N)N)C	WYHMGODFDCDBHZ-UHFFFAOYSA-N
DG51917	2-amino-N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]acetamide	284708	NSC140873; 106410-13-3; NSC-140873; 2-amino-N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]acetamide; MLS000766105; 2-Amino-N-(4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl)acetamide; GCPK; NCIStruc1_000814; NCIStruc2_000850; SCHEMBL9851289; CHEMBL1450586; ZINC21557; DTXSID00301064; CCG-38259; NCGC00014365; NCI140873; NCGC00014365-02; NCGC00014365-03; NCGC00014365-04; NCGC00097473-01; NCI60_000895; SMR000528603; MLS000766105-02; MLS000766105-03; 2-Glycineamide-5-chlorophenyl 2-pyrryl ketone; 2-amino-N-(4-chloro-2-(1H-pyrrol-2-ylcarbonyl)phenyl)acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	140873	.	.	.	.	277.7	C13H12ClN3O2	88	351	1.8	19	3	3	4	"InChI=1S/C13H12ClN3O2/c14-8-3-4-10(17-12(18)7-15)9(6-8)13(19)11-2-1-5-16-11/h1-6,16H,7,15H2,(H,17,18)"	C1=CNC(=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CN	HEMNVSCJOZIBEQ-UHFFFAOYSA-N
DG51918	"1,1'-Sulfonylbis(3-isothiocyanatobenzene)"	284731	"NSC140911; 40939-76-2; bis(3-Isothiocyanatophenyl)sulphone; 1,1'-sulfonylbis(3-isothiocyanatobenzene); NCIMech_000641; CHEMBL1982931; DTXSID10301075; ZINC1725949; CCG-35744; NSC-140911; 3,3'-sulfonylbis(isothiocyanatobenzene); NCI60_000899; Benzene,1,1-sulfonylbis[3-isothiocyanato-; DS-006724; Isothiocyanic acid, sulfonyldi-m-phenylene ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	140911	.	.	.	.	332.4	C14H8N2O2S3	131	513	5.5	21	0	6	4	"InChI=1S/C14H8N2O2S3/c17-21(18,13-5-1-3-11(7-13)15-9-19)14-6-2-4-12(8-14)16-10-20/h1-8H"	C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)N=C=S)N=C=S	ATUCPLJJYLRXIH-UHFFFAOYSA-N
DG51919	7-Amino-1-fluorofluoren-9-one	284793	NSC141057; CHEMBL1969489; ZINC1726003; NSC-141057; NCI60_000901	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141057	.	.	.	.	213.21	C13H8FNO	43.1	306	3.1	16	1	3	0	"InChI=1S/C13H8FNO/c14-11-3-1-2-9-8-5-4-7(15)6-10(8)13(16)12(9)11/h1-6H,15H2"	C1=CC2=C(C(=C1)F)C(=O)C3=C2C=CC(=C3)N	OCMPJISNJWIRHA-UHFFFAOYSA-N
DG51920	"1h-Naphth[2,3-d]imidazole-4,9-dione, 1,2-dimethyl-"	284925	"4572-59-2; 1h-naphth[2,3-d]imidazole-4,9-dione, 1,2-dimethyl-; NSC141313; Oprea1_559987; 1,2-dimethyl-1H-naphtho[2,3-d]imidazole-4,9-dione; SCHEMBL2587192; CHEMBL4593672; DTXSID10301131; ZINC184652; STK732196; AKOS005524567; MCULE-6891139668; NSC-141313; EU-0043230; 1,2-dimethyl-1H-naphth[2,3-d]imidazole-4,9-dione; 4,9-dihydro-4,9-dioxo-1,2-dimethyl-1H-naphtho[2,3-d]imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141313	.	.	.	.	226.23	C13H10N2O2	52	368	2	17	0	3	0	"InChI=1S/C13H10N2O2/c1-7-14-10-11(15(7)2)13(17)9-6-4-3-5-8(9)12(10)16/h3-6H,1-2H3"	CC1=NC2=C(N1C)C(=O)C3=CC=CC=C3C2=O	DSABGXKNIWFVGX-UHFFFAOYSA-N
DG51921	"1-methyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole"	284986	NSC141527; CHEMBL1999608; NSC-141527; NCI60_000906	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141527	.	.	.	.	234.29	C16H14N2	28.2	362	3.1	18	1	1	0	"InChI=1S/C16H14N2/c1-10-13-9-14-12-4-2-3-5-15(12)18-16(14)8-11(13)6-7-17-10/h2-5,8-9,18H,6-7H2,1H3"	CC1=NCCC2=CC3=C(C=C12)C4=CC=CC=C4N3	IPFHPGYODRLHBL-UHFFFAOYSA-N
DG51922	Ovalicine subst.	284995	OVALICINE SUBST.; NSC141538; Ovalicin; MLS002920529; Graphinone; (-)-Ovalicin; 4-Hydroxy-5-methoxy-4-[2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-one; Antibiotic SL 1846; Antibiotic FR 125756; SCHEMBL3857964; CHEMBL1978199; CHEBI:181086; NSC-141538; SL 1846; NCGC00385977-01; 8-hydroxy-7-methoxy-8-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-one; NCI60_000907; SMR001798118; FR 125756; 4-hydroxy-5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-one; NCGC00385977-01_C16H24O5_4-Hydroxy-5-methoxy-4-[2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]octan-6-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141538	.	.	.	.	296.36	C16H24O5	71.6	497	0.6	21	1	5	4	"InChI=1S/C16H24O5/c1-10(2)5-6-12-14(3,21-12)16(18)13(19-4)11(17)7-8-15(16)9-20-15/h5,12-13,18H,6-9H2,1-4H3"	CC(=CCC1C(O1)(C)C2(C(C(=O)CCC23CO3)OC)O)C	NESRXFGQJARQNM-UHFFFAOYSA-N
DG51923	Dihydroovalicine subst.	284996	"Dihydroovalicine subst.; NSC141539; Dihydroovalicin; OVALICINE, SUBST.; CHEMBL1987389; NSC-141539; NCI60_000908; 4-hydroxy-4-(3-isopentyl-2-methyl-2-oxiranyl)-5-methoxy-1-oxaspiro[2.5]octan-6-one; 8-hydroxy-8-(3-isopentyl-2-methyl-oxiran-2-yl)-7-methoxy-2-oxaspiro[2.5]octan-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141539	.	.	.	.	298.37	C16H26O5	71.6	450	0.7	21	1	5	5	"InChI=1S/C16H26O5/c1-10(2)5-6-12-14(3,21-12)16(18)13(19-4)11(17)7-8-15(16)9-20-15/h10,12-13,18H,5-9H2,1-4H3"	CC(C)CCC1C(O1)(C)C2(C(C(=O)CCC23CO3)OC)O	HEUGEMJVVOMBIB-UHFFFAOYSA-N
DG51924	"1-methyl-6H-pyrido[4,3-b]carbazole"	285249	"MLS002920539; SMR001798128; NSC142053; 1-methyl-6H-pyrido[4,3-b]carbazole; SCHEMBL9050794; SCHEMBL9050806; CHEMBL1896726; BDBM94981; cid_5382484; ZINC1726591; NSC-142053"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	142053	.	.	.	.	232.28	C16H12N2	24.4	558	3.4	18	1	2	0	"InChI=1S/C16H12N2/c1-10-13-9-14-12-4-2-3-5-15(12)18-16(14)8-11(13)6-7-17-10/h2-9,17H,1H3"	CC1=C2C=C3C4=CC=CC=C4N=C3C=C2C=CN1	KEXJRLIZSKRXPC-UHFFFAOYSA-N
DG51925	"1-butyl-5-methyl-2H-pyrido[4,3-b]carbazole"	285250	NSC142055; CHEMBL1972192; SCHEMBL21379777; ZINC1726593; NSC-142055; NCI60_000923	.	.	Investigative Drug(s)	Investigative	Small molecular drug	142055	.	.	.	.	288.4	C20H20N2	24.4	643	5.1	22	1	2	3	"InChI=1S/C20H20N2/c1-3-4-8-18-16-12-17-15-7-5-6-9-19(15)22-20(17)13(2)14(16)10-11-21-18/h5-7,9-12,21H,3-4,8H2,1-2H3"	CCCCC1=C2C=C3C4=CC=CC=C4N=C3C(=C2C=CN1)C	FZAOIFFHTFFVQJ-UHFFFAOYSA-N
DG51926	"n-[2-(Benzyloxy)phenyl]-2,2-dichloro-n-hydroxyacetamide"	285364	"34287-98-4; NSC142226; n-[2-(benzyloxy)phenyl]-2,2-dichloro-n-hydroxyacetamide; CHEMBL1976007; DTXSID40955843; ZINC1726684; NSC-142226"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	142226	.	.	.	.	326.2	C15H13Cl2NO3	49.8	335	3.6	21	1	3	5	"InChI=1S/C15H13Cl2NO3/c16-14(17)15(19)18(20)12-8-4-5-9-13(12)21-10-11-6-2-1-3-7-11/h1-9,14,20H,10H2"	C1=CC=C(C=C1)COC2=CC=CC=C2N(C(=O)C(Cl)Cl)O	DTRKNNWKWLTQLE-UHFFFAOYSA-N
DG51927	N-(4-Methyl-2-pyridinyl)-N'-(4-(methylthio)phenyl)urea	285402	NSC142269; MLS000766109; NSC-142269; SMR000528606; N-(4-Methyl-2-pyridinyl)-N'-(4-(methylthio)phenyl)urea; NCIStruc1_000894; NCIStruc2_000652; cid_285402; CHEMBL1408238; BDBM95999; 1-(4-methylpyridin-2-yl)-3-(4-methylsulfanylphenyl)urea; HMS2858F15; CCG-38186; NCGC00014372; NCI142269; ZINC37868602; NCGC00014372-02; NCGC00097480-01; NCI60_000925; 1-(4-methyl-2-pyridinyl)-3-[4-(methylthio)phenyl]urea; 1-(4-methyl-2-pyridyl)-3-(4-methylsulfanylphenyl)urea; 1-(4-methyl-2-pyridyl)-3-[4-(methylthio)phenyl]urea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	142269	.	.	.	.	273.36	C14H15N3OS	79.3	292	2.6	19	2	3	3	"InChI=1S/C14H15N3OS/c1-10-7-8-15-13(9-10)17-14(18)16-11-3-5-12(19-2)6-4-11/h3-9H,1-2H3,(H2,15,16,17,18)"	CC1=CC(=NC=C1)NC(=O)NC2=CC=C(C=C2)SC	OYDMDQQQNDFMEE-UHFFFAOYSA-N
DG51928	"7,9-Dibromo-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione"	285494	"90792-64-6; 7,9-dibromo-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione; NSC142475; DTXSID50301332; ZINC1726820; NSC-142475; J3.628.409I; 3',5'-Dibromospiro[tetrahydrofuran-2,1'-[2,5]cyclohexadiene]-5,4'-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	142475	.	.	.	.	321.95	C9H6Br2O3	43.4	360	2.3	14	0	3	0	"InChI=1S/C9H6Br2O3/c10-5-3-9(2-1-7(12)14-9)4-6(11)8(5)13/h3-4H,1-2H2"	C1CC2(C=C(C(=O)C(=C2)Br)Br)OC1=O	UWFJJLVMISJSHR-UHFFFAOYSA-N
DG51929	"2-Methyl-1-propyl-1h-naphtho[2,3-d]imidazole-4,9-dione"	285581	"93733-07-4; 2-methyl-1-propyl-1h-naphtho[2,3-d]imidazole-4,9-dione; NSC142587; CHEMBL4441110; DTXSID50301357; NSC-142587"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	142587	.	.	.	.	254.28	C15H14N2O2	52	396	2.9	19	0	3	2	"InChI=1S/C15H14N2O2/c1-3-8-17-9(2)16-12-13(17)15(19)11-7-5-4-6-10(11)14(12)18/h4-7H,3,8H2,1-2H3"	CCCN1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)C	QMYKJMRDHQMLOS-UHFFFAOYSA-N
DG51930	"3,3'-(Methanediyldicyclohexane-4,1-diyl)bis[1-(2-chloroethyl)-1-nitrosourea]"	285728	"33024-35-0; 3,3'-(methanediyldicyclohexane-4,1-diyl)bis[1-(2-chloroethyl)-1-nitrosourea]; NSC143147; CHEMBL12409; CHEMBL3250441; DTXSID70301410; ZINC5085344; trans-Methylenedi(1,4-cyclohexylene)bis(3-(2-chloroethyl)-3-nitrosourea); NSC-143147; Urea, 1,1'-methylenedi(1,4-cyclohexylene)bis(3-(2-chloroethyl)-3-nitroso-, (E,E)-; 60324-95-0; NCI60_000950; DS-007955; 1,1-CYCLOHEXYLENE)BIS[3-(2-CHLOROETHYL)]-3-NITROSOUREA; Urea,1'-(methylenedi-4,1-cyclohexylene)bis[3-(2-chloroethyl)-3-nitroso-; 1-(2-chloroethyl)-3-[4-[[4-[(2-chloroethyl-nitroso-carbamoyl)amino]cyclohexyl]methyl]cyclohexyl]-1-nitroso-urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143147	.	.	.	.	479.4	C19H32Cl2N6O4	124	548	4.1	31	2	6	8	"InChI=1S/C19H32Cl2N6O4/c20-9-11-26(24-30)18(28)22-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-19(29)27(25-31)12-10-21/h14-17H,1-13H2,(H,22,28)(H,23,29)"	C1CC(CCC1CC2CCC(CC2)NC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O	CHRJZHUVRKHISQ-UHFFFAOYSA-N
DG51931	"Ethyl 1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo(de,g)quinoline-6-carboxylate"	285758	"NSC143241; 7630-72-0; MLS002703015; Ethyl 1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo(de,g)quinoline-6-carboxylate; UNII-A6RRX7C99W; A6RRX7C99W; SMR001566823; Dibenzo[de,g]quinoline-6-carboxylic acid, 4,5-dihydro- 1,2,9,10-tetramethoxy-, ethyl ester; Ethyl 1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinoline-6-carboxylate; NSC 143241; Neuro_000076; cid_285758; CHEMBL1711578; ethyl tetramethoxy[ ]carboxylate; BDBM96135; DTXSID20227176; Quinoline-6-carboxylic acid der.; N-(Ethoxycarbonyl)dehydronorglaucine; ZINC1727151; NSC-143241; NCI60_000951; DS-010757; Dibenzo[de, 4,5-dihydro- 1,2,9,10-tetramethoxy-, ethyl ester; Ethyl 1,2,9,10-tetramethoxy-4H-dibenzo[de,g]quinoline-6(5H)-carboxylate; 1,2,9,10-Tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinoline-6-carboxylic acid ethyl ester; Dibenzo[de,g]quinoline-6-carboxylic acid, 4,5-dihydro-1,2,9, 10-tetramethoxy-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143241	.	.	.	.	411.4	C23H25NO6	66.5	602	4.5	30	0	6	6	"InChI=1S/C23H25NO6/c1-6-30-23(25)24-8-7-13-10-19(28-4)22(29-5)21-15-12-18(27-3)17(26-2)11-14(15)9-16(24)20(13)21/h9-12H,6-8H2,1-5H3"	CCOC(=O)N1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC)OC)OC)OC	UBNQMQAKEHACQS-UHFFFAOYSA-N
DG51932	"Diethyl 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate"	285815	"diethyl 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; 35929-79-4; CHEMBL1825006; NSC143346; Oprea1_170773; Oprea1_600666; SCHEMBL3030945; DTXSID80957341; ZINC640421; BDBM50074016; STK387357; AKOS000296841; MCULE-7958042671; NSC-143346; 3,5-diethyl 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; NCI60_000953; DS-001240; CS-0298836; EU-0068543; VU0120417-2; SR-01000403185; SR-01000403185-1; Z57724605; F0265-0656; 1,4-Dihydro-2,6-dimethyl-4-(4-chlorophenyl)pyridine-3,5-dicarboxylic acid diethyl ester; diethyl 4-(4-chlorophenyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate; diethyl 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate; diethyl 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxyla te"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143346	.	.	.	.	363.8	C19H22ClNO4	64.599	548	4	25	1	5	7	"InChI=1S/C19H22ClNO4/c1-5-24-18(22)15-11(3)21-12(4)16(19(23)25-6-2)17(15)13-7-9-14(20)10-8-13/h7-10,17,21H,5-6H2,1-4H3"	CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C(=O)OCC)C)C	TXVRICWGWBIUAG-UHFFFAOYSA-N
DG51933	Bis(2-methoxy-4-methylphenyl)methanone	285885	NSC143532; ZINC1727312; NSC-143532	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143532	.	.	.	.	270.32	C17H18O3	35.5	298	3.9	20	0	3	4	"InChI=1S/C17H18O3/c1-11-5-7-13(15(9-11)19-3)17(18)14-8-6-12(2)10-16(14)20-4/h5-10H,1-4H3"	CC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)C)OC)OC	MURHDPXRYLOCLY-UHFFFAOYSA-N
DG51934	"Calotropin (6CI, 8CI)"	286106	"Calotropin (6CI, 8CI); NSC143925; NSC-143925; NCI60_000961; Card-20(22)-enolide,3-[(tetrahydro-3,4-dihydroxy- 6-methyl-2H-pyran-3,2-diyl)bis(oxy)]-, [2.alpha.(2S,3S,4S,6R),3.beta.,5.alpha.]-; Card-20(22)-enolide,3-[[(2S,3S,4S,6R)-tetrahydro- 3,4-dihydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-,(2.alpha.,3.beta.,5.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143925	.	.	.	.	532.6	C29H40O9	140	1040	1.1	38	3	9	4	"InChI=1S/C29H40O9/c1-15-9-21(31)25(34)26(37-15)38-23-11-17-3-4-20-19(28(17,14-30)12-22(23)32)5-7-27(2)18(6-8-29(20,27)35)16-10-24(33)36-13-16/h10,14-15,17-23,26,31-32,35H,3-9,11-13H2,1-2H3/t15 ,17-,18 ,19-,20+,21 ,22+,23+,26 ,27+,28+,29-/m0/s1"	CC1CC(C(=O)C(O1)O[C@@H]2C[C@@H]3CC[C@@H]4[C@@H]([C@]3(C[C@H]2O)C=O)CC[C@]5([C@@]4(CCC5C6=CC(=O)OC6)O)C)O	ZVXUSUPIDOSPHB-UATTZVLQSA-N
DG51935	"2-(naphthalen-1-yl)-1H-1,3-benzodiazole"	286183	"2562-81-4; 2-(naphthalen-1-yl)-1H-1,3-benzodiazole; 2-(1-naphthyl)-1h-benzimidazole; 2-naphthalen-1-yl-1H-benzimidazole; MLS002920612; 1H-Benzimidazole, 2-(1-naphthalenyl)-; 2-(Naphthalen-1-yl)-1H-benzo[d]imidazole; NSC144033; 2-(1-naphthalenyl)-1H-Benzimidazole; SCHEMBL784353; CHEMBL1996259; DTXSID40301528; ZINC970106; CAA56281; AKOS003029396; 2-(naphthalen-1-yl)-1H-benzimidazole; MCULE-4045208994; NSC-144033; DA-28769; SMR001798199; FT-0729895; EN300-82125; Z50129856"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144033	.	.	.	.	244.29	C17H12N2	28.7	316	4.5	19	1	1	1	"InChI=1S/C17H12N2/c1-2-8-13-12(6-1)7-5-9-14(13)17-18-15-10-3-4-11-16(15)19-17/h1-11H,(H,18,19)"	C1=CC=C2C(=C1)C=CC=C2C3=NC4=CC=CC=C4N3	PAOHHYDZFURJKA-UHFFFAOYSA-N
DG51936	"Quinoxaline, 6-chloro-2,3-bis(iodomethyl)-"	286252	"Quinoxaline, 6-chloro-2,3-bis(iodomethyl)-; 3298-87-1; 6-chloro-2,3-bis(iodomethyl)quinoxaline; NSC144163; Quinoxaline,3-bis(iodomethyl)-; DTXSID10301550; ZINC5085863; NSC-144163; DS-012430"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144163	.	.	.	.	444.44	C10H7ClI2N2	25.8	218	3.9	15	0	2	2	"InChI=1S/C10H7ClI2N2/c11-6-1-2-7-8(3-6)15-10(5-13)9(4-12)14-7/h1-3H,4-5H2"	C1=CC2=C(C=C1Cl)N=C(C(=N2)CI)CI	JUSSMMAJIDPHPB-UHFFFAOYSA-N
DG51937	3-(Bromomethyl)-2-quinoxalinol	286254	"62235-61-4; 3-Bromomethylquinoxalin-2-one; 3-(Bromomethyl)-2-quinoxalinol; 3-(bromomethyl)quinoxalin-2-ol; 3-(bromomethyl)-1H-quinoxalin-2-one; NSC144168; MFCD02660613; 2(1H)-Quinoxalinone, 3-(bromomethyl)-; NSC 144168; 3-(Bromomethyl)quinoxaline-2(1H)-one; SCHEMBL681084; CHEMBL1973412; DTXSID70211287; 3-(BROMOMETHYL)QUINOXALINE; STK887678; ZINC16955532; 3-(bromomethyl)-2(1h)-quinoxalinone; AKOS001416032; AKOS002338749; MCULE-3162543408; NSC-144168; 2(1H)-Quinoxalinone,3-(bromomethyl)-; 3-(Bromomethyl) Quinoxaline-2(1H)-One; AS-37049; NCI60_000965; 2-bromomethyl-3-oxo-3,4-dihydroquinoxaline; FT-0646395; Y9641; 3-(Bromomethyl)quinoxaline-2(1H)-one, 90%; EN300-28768; 10.14272/SOTAKCFOTFCVSS-UHFFFAOYSA-N.1; A833659; AN-829/25059007; doi:10.14272/SOTAKCFOTFCVSS-UHFFFAOYSA-N.1; J-510830"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144168	.	.	.	.	239.07	C9H7BrN2O	41.5	252	1.5	13	1	2	1	"InChI=1S/C9H7BrN2O/c10-5-8-9(13)12-7-4-2-1-3-6(7)11-8/h1-4H,5H2,(H,12,13)"	C1=CC=C2C(=C1)NC(=O)C(=N2)CBr	SOTAKCFOTFCVSS-UHFFFAOYSA-N
DG51938	"2,3-Bis(iodomethyl)-6-methoxyquinoxaline"	286257	"2,3-Bis(iodomethyl)-6-methoxyquinoxaline; 32602-08-7; NSC144173; 2,3-bis(iodomethyl)-6-methoxy-quinoxaline; NSC 144173; CHEMBL2002117; DTXSID00186297; ZINC5085866; NSC-144173; 6-Methoxy-2,3-bis(iodomethyl)quinoxaline; NCI60_000966; Quinoxaline,3-bis(iodomethyl)-6-methoxy-; DS-003490; Quinoxaline, 2,3-bis(iodomethyl)-6-methoxy-; 2,3-Bis(iodomethyl)-6-quinoxalinyl methyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144173	.	.	.	.	440.02	C11H10I2N2O	35	230	3.3	16	0	3	3	"InChI=1S/C11H10I2N2O/c1-16-7-2-3-8-9(4-7)15-11(6-13)10(5-12)14-8/h2-4H,5-6H2,1H3"	COC1=CC2=C(C=C1)N=C(C(=N2)CI)CI	LILYPRLZBGZTJF-UHFFFAOYSA-N
DG51939	"Quinoxaline, 2-chloro-3-(iodomethyl)-"	286258	"Quinoxaline, 2-chloro-3-(iodomethyl)-; 32601-92-6; 2-chloro-3-(iodomethyl)quinoxaline; NSC144177; DTXSID50301554; ZINC1727742; NSC-144177; DS-013106"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144177	.	.	.	.	304.51	C9H6ClIN2	25.8	179	3.2	13	0	2	1	"InChI=1S/C9H6ClIN2/c10-9-8(5-11)12-6-3-1-2-4-7(6)13-9/h1-4H,5H2"	C1=CC=C2C(=C1)N=C(C(=N2)Cl)CI	LUQLSNWURHZKSL-UHFFFAOYSA-N
DG51940	"Furazan, di-p-anisoyl-, 2-oxide"	286532	"40499-78-3; furazan,di-p-anisoyl-,2-oxide; Furazan, di-p-anisoyl-, 2-oxide; 3,4-Bis(4-methoxybenzoyl)-1,2,5-oxadiazole 2-oxide; MLS000079127; CHEMBL1325877; [4-(4-methoxybenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(4-methoxyphenyl)methanone; SMR000038404; Methanone, (2-oxido-1,2,5-oxadiazole-3,4-diyl)bis[(4-methoxyphenyl)-; NSC144988; cid_286532; SCHEMBL2117370; BDBM35494; DTXSID60301621; HMS2310H12; 3,4-di(4-meth-oxybenzoyl)furoxan; ZINC1728124; BDBM50532918; MFCD00365476; AKOS028108660; NSC-144988; NCGC00064079-02; AS-59668; A923709; BIS(4-METHOXYBENZOYL)-1,2,5-OXADIAZOL-2-IUM-2-OLATE; (4-methoxyphenyl)-(5-oxido-4-p-anisoyl-furazan-5-ium-3-yl)methanone; (4-methoxyphenyl)-[4-(4-methoxyphenyl)carbonyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl]methanone; (4-methoxyphenyl)-[4-[(4-methoxyphenyl)-oxomethyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144988	.	.	.	.	354.3	C18H14N2O6	104	500	3.3	26	0	7	6	"InChI=1S/C18H14N2O6/c1-24-13-7-3-11(4-8-13)17(21)15-16(20(23)26-19-15)18(22)12-5-9-14(25-2)10-6-12/h3-10H,1-2H3"	COC1=CC=C(C=C1)C(=O)C2=NO[N+](=C2C(=O)C3=CC=C(C=C3)OC)[O-]	FSLCSENNTORBKX-UHFFFAOYSA-N
DG51941	"(2-Oxido-1,2,5-oxadiazole-3,4-diyl)bis[(4-chlorophenyl)methanone]"	286557	"21443-48-1; (2-oxido-1,2,5-oxadiazole-3,4-diyl)bis[(4-chlorophenyl)methanone]; Furazan, monooxide; NSC145016; 3,2,5-oxadiazole N-oxide; DTXSID80301628; ZINC1728153; bis(p-chloro-benzoyl)furazan N-oxide; NSC-145016; 3,4-bis(4-chlorobenzoyl)-1,2,5-oxadiazole 2-oxide; Methanone,4-furazandiylbis[(4-chlorophenyl)-, N-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	145016	.	.	.	.	363.1	C16H8Cl2N2O4	85.6	477	4.6	24	0	5	4	InChI=1S/C16H8Cl2N2O4/c17-11-5-1-9(2-6-11)15(21)13-14(20(23)24-19-13)16(22)10-3-7-12(18)8-4-10/h1-8H	C1=CC(=CC=C1C(=O)C2=NO[N+](=C2C(=O)C3=CC=C(C=C3)Cl)[O-])Cl	BZZJOJCPQADALQ-UHFFFAOYSA-N
DG51942	Pentalenopyran-5-carboxylic acid deriv	286636	"NSC145150; U 36699; 70857-52-2; MLS002920651; PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV; 6,7-Dimethyl-4-methylene-3-oxo-1,3,4,7,7a,9a-hexahydropentaleno(1,6a-c)pyran-9-carboxylic acid; 6,7-Dimethyl-4-methylene-3-oxo-1,3,4,7,7a,9a-hexahydropentaleno[1,6a-c]pyran-9-carboxylic acid; NSC 145150; 6,7-dimethyl-4-methylidene-3-oxo-1,3,4,7,7a,9a-hexahydropentaleno[1,6a-c]pyran-9-carboxylic acid; CHEMBL1886641; DTXSID10991132; NSC-145150; NCI60_000978; SMR001798238; Pentalenopyran-5-carboxylic acid derivative; Pentaleno[1, 1,2,4,4a,6a,7-hexahydro-7,8-dimethyl-1-methylene-2-oxo-; 7,8-dimethyl-1-methylene-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	145150	.	.	.	.	260.279	C15H16O4	63.6	569	1.6	19	1	4	1	"InChI=1S/C15H16O4/c1-7-5-15-9(3)14(18)19-6-12(15)10(13(16)17)4-11(15)8(7)2/h4-5,8,11-12H,3,6H2,1-2H3,(H,16,17)"	CC1C2C=C(C3C2(C=C1C)C(=C)C(=O)OC3)C(=O)O	CRWVSJINJPKGIZ-UHFFFAOYSA-N
DG51943	"Maleimide, N-(1-hydroxyacetonyl)-"	286651	"Maleimide, N-(1-hydroxyacetonyl)-; NSC145168; 66234-84-2; 1-(1-Hydroxy-2-oxopropyl)-1H-pyrrole-2,5-dione; NSC 145168; 1-(1-hydroxy-2-oxo-propyl)pyrrole-2,5-dione; SCHEMBL8723931; CHEMBL2002910; NSC-145168; NCI60_000980; 1H-Pyrrole-2, 1-(1-hydroxy-2-oxopropyl)-; 1H-Pyrrole-2,5-dione, 1-(1-hydroxy-2-oxopropyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	145168	.	.	.	.	169.13	C7H7NO4	74.7	263	-0.8	12	1	4	2	"InChI=1S/C7H7NO4/c1-4(9)7(12)8-5(10)2-3-6(8)11/h2-3,7,12H,1H3"	CC(=O)C(N1C(=O)C=CC1=O)O	INYVLMMCYHZEIB-UHFFFAOYSA-N
DG51944	"1,2,5-Triphenylpentane-1,5-dione"	286676	"MLS002920691; 1,2,5-triphenylpentane-1,5-dione; NSC145219; 58337-98-7; SCHEMBL9066704; CHEMBL2135242; AKOS024322959; MCULE-3694768798; NSC-145219; SMR001798278; 1,2,5-TRIPHENYL-PENTANE-1,5-DIONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	145219	.	.	.	.	328.4	C23H20O2	34.1	423	4.9	25	0	2	7	"InChI=1S/C23H20O2/c24-22(19-12-6-2-7-13-19)17-16-21(18-10-4-1-5-11-18)23(25)20-14-8-3-9-15-20/h1-15,21H,16-17H2"	C1=CC=C(C=C1)C(CCC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3	HKGOVXWRWWAJDE-UHFFFAOYSA-N
DG51945	"2-(Naphthalen-1-yl)-2,3-dihydroquinazolin-4(1h)-one"	286701	"31785-60-1; 2-(naphthalen-1-yl)-2,3-dihydroquinazolin-4(1h)-one; NSC145669; NSC-145669; MLS002702022; 2-(NAPHTHALEN-1-YL)-2,3-DIHYDRO-1H-QUINAZOLIN-4-ONE; NCIMech_000201; Oprea1_707982; 2-Naphthalen-1-yl-2,3-dihydro-1H-quinazolin-4-one; CHEMBL191611; SCHEMBL7686343; DTXSID90875007; AKOS001291355; AKOS016872271; MCULE-1373178198; NCI60_000986; SMR001565597; 1-naphthalen-1-yl-2,3-dihydroquinazolin-4-one; 4(1H)-Quinazolinone,3-dihydro-2-(1-naphthyl)-; U-27409; 4(1H)-QUINAZOLINONE, 2,3-DIHYDRO-2-(1-NAPHTHALEN"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	145669	.	.	.	.	274.3	C18H14N2O	41.1	397	3.8	21	2	2	1	"InChI=1S/C18H14N2O/c21-18-15-9-3-4-11-16(15)19-17(20-18)14-10-5-7-12-6-1-2-8-13(12)14/h1-11,17,19H,(H,20,21)"	C1=CC=C2C(=C1)C=CC=C2C3NC4=CC=CC=C4C(=O)N3	XKEIBCWTOUEGSH-UHFFFAOYSA-N
DG51946	Ivalbin	286755	"IVALBIN; NSC145904; 7544-65-2; 6-(1,3-Dihydroxybutyl)-7-methyl-3-methylene-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta(b)furan-2-one; 6-(1,3-Dihydroxybutyl)-7-methyl-3-methylene-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one; NSC 145904; CHEMBL1978414; DTXSID80996891; NSC-145904; NCI60_000989; 6-(1,3-dihydroxybutyl)-7-methyl-3-methylene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one; 6-(1,3-Dihydroxybutyl)-7-methyl-3-methylidene-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	145904	.	.	.	.	266.33	C15H22O4	66.8	412	1.3	19	2	4	3	"InChI=1S/C15H22O4/c1-8-6-14-12(10(3)15(18)19-14)5-4-11(8)13(17)7-9(2)16/h4,8-9,12-14,16-17H,3,5-7H2,1-2H3"	CC1CC2C(CC=C1C(CC(C)O)O)C(=C)C(=O)O2	TVKYSIIBPQZNFW-UHFFFAOYSA-N
DG51947	"2-Propanone, 1-chloro-3-(triphenylphosphoranylidene)-"	287004	"13605-66-8; 2-Propanone, 1-chloro-3-(triphenylphosphoranylidene)-; 3-Chloro-2-oxopropylidene triphenylphosphorane; 1-Chloro-3-(triphenylphosphoranylidene)propan-2-one; 1-chloro-3-(triphenylphosphoranylidene)acetone; 1-chloro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one; NSC146374; chloroacetylmethylenetriphenylphosphorane; SCHEMBL2574392; DTXSID80301784; HTS028540; MFCD04038921; STL145045; ZINC95682181; AKOS005746362; AT23046; MCULE-7179578674; NSC-146374; 2-Oxo-3-chloropropylidenetriphenylphosphorane; chloromethylcarbonylmethylenetriphenyl phosphorane; A903854; 1-chloro-3-(triphenylphosphanylidene)-propane-2-one; 1-chloro-3-(triphenyl phosphoranylidene)propan-2-one; 1-chloro-3-(triphenyl-lambda~5~-phosphanylidene)propan-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	146374	.	.	.	.	352.8	C21H18ClOP	17.1	402	4.2	24	0	1	5	"InChI=1S/C21H18ClOP/c22-16-18(23)17-24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17H,16H2"	C1=CC=C(C=C1)P(=CC(=O)CCl)(C2=CC=CC=C2)C3=CC=CC=C3	NYAMPFDYTBDISG-UHFFFAOYSA-N
DG51948	"N-[4-(4-bromophenyl)-3-(2,5-dimethylphenyl)-1,3-thiazol-2-ylidene]-2-fluorobenzamide"	287145	MLS000766129; NSC146557; CHEMBL3196313; HMS2850J05; ZINC13146928; ZINC100367069; NSC-146557; SMR000528617	.	.	Investigative Drug(s)	Investigative	Small molecular drug	146557	.	.	.	.	481.4	C24H18BrFN2OS	58	691	6.9	30	0	3	3	"InChI=1S/C24H18BrFN2OS/c1-15-7-8-16(2)21(13-15)28-22(17-9-11-18(25)12-10-17)14-30-24(28)27-23(29)19-5-3-4-6-20(19)26/h3-14H,1-2H3"	CC1=CC(=C(C=C1)C)N2C(=CSC2=NC(=O)C3=CC=CC=C3F)C4=CC=C(C=C4)Br	GVWMBCLHJIYYIV-UHFFFAOYSA-N
DG51949	3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid	287272	"30880-72-9; 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid; 3-[(2-chloro-4-nitrophenoxy)methyl]benzoic acid; BENZOIC ACID,3-[(2-CHLORO-4-NITROPHENOXY)METHYL]-; NSC146848; DTXSID40953061; ZINC1728963; MFCD03421912; AKOS000308427; DS-8588; NSC-146848; 3-[(2-Chloro-4-nitrophenoxy)methyl]benzoato; Benzoic acid, 3-[(2-chloro-4-nitrophenoxy)methyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	146848	.	.	.	.	307.68	C14H10ClNO5	92.4	386	3.4	21	1	5	4	"InChI=1S/C14H10ClNO5/c15-12-7-11(16(19)20)4-5-13(12)21-8-9-2-1-3-10(6-9)14(17)18/h1-7H,8H2,(H,17,18)"	C1=CC(=CC(=C1)C(=O)O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl	VMWNQMAQVXLDIL-UHFFFAOYSA-N
DG51950	"6,7-Dimethoxyisoquinoline-1-carbaldehyde"	287724	"6,7-dimethoxyisoquinoline-1-carbaldehyde; 71046-35-0; MLS002920743; NSC147811; CHEMBL1906558; SCHEMBL10973291; DTXSID50301993; ZINC1729425; NSC-147811; SMR001798329; 6,7-dimethoxyisoquinoline-1-carboxaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	147811	.	.	.	.	217.22	C12H11NO3	48.4	246	1.8	16	0	4	3	"InChI=1S/C12H11NO3/c1-15-11-5-8-3-4-13-10(7-14)9(8)6-12(11)16-2/h3-7H,1-2H3"	COC1=C(C=C2C(=C1)C=CN=C2C=O)OC	UHZKUBULBNDNTD-UHFFFAOYSA-N
DG51951	"2-[[4-(2-Bromoacetyl)-1,6-dimethyl-2-oxopyridin-3-yl]methyl]isoindole-1,3-dione"	288059	NSC148484; CHEMBL1966115; ZINC1683127; NSC-148484	.	.	Investigative Drug(s)	Investigative	Small molecular drug	148484	.	.	.	.	403.2	C18H15BrN2O4	74.8	701	1.4	25	0	4	4	"InChI=1S/C18H15BrN2O4/c1-10-7-13(15(22)8-19)14(16(23)20(10)2)9-21-17(24)11-5-3-4-6-12(11)18(21)25/h3-7H,8-9H2,1-2H3"	CC1=CC(=C(C(=O)N1C)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)CBr	ZXQJUYHXMDUVBN-UHFFFAOYSA-N
DG51952	"2-(2-Hydroxyethylsulfanyl)naphthalene-1,4-dione"	288087	"83293-77-0; 2-[(2-Hydroxyethyl)sulfanyl]naphthalene-1,4-Dione; 2-(2-hydroxyethylsulfanyl)naphthalene-1,4-dione; NSC148596; SCHEMBL2599403; CHEMBL4475735; DTXSID80302094; 1, 2-[(2-hydroxyethyl)thio]-; ZINC1729754; NSC-148596; Q27463908"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	148596	.	.	.	.	234.27	C12H10O3S	79.7	335	1.4	16	1	4	3	"InChI=1S/C12H10O3S/c13-5-6-16-11-7-10(14)8-3-1-2-4-9(8)12(11)15/h1-4,7,13H,5-6H2"	C1=CC=C2C(=C1)C(=O)C=C(C2=O)SCCO	IBLOZMPODBITIK-UHFFFAOYSA-N
DG51953	"16-(Acetyloxy)-3,14-dihydroxycard-20(22)-enolide"	288101	"16-(acetyloxy)-3,14-dihydroxycard-20(22)-enolide; MLS002702028; NSC148790; [3,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate; 465-15-6; OLENDRIGENIN; Oprea1_850530; DTXSID60963586; NSC-148790; NCI60_001020; SMR001565601; Card-20(22)-enolide,14-dihydroxy-, (3.beta.,5.beta.,16.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	148790	.	.	.	.	432.5	C25H36O6	93.1	821	1.9	31	2	6	3	"InChI=1S/C25H36O6/c1-14(26)31-20-12-25(29)19-5-4-16-11-17(27)6-8-23(16,2)18(19)7-9-24(25,3)22(20)15-10-21(28)30-13-15/h10,16-20,22,27,29H,4-9,11-13H2,1-3H3"	CC(=O)OC1CC2(C3CCC4CC(CCC4(C3CCC2(C1C5=CC(=O)OC5)C)C)O)O	IWCNCUVTGOMGKG-UHFFFAOYSA-N
DG51954	"2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-, (R)-"	288216	"37076-68-9; (R)-Tegafur; UNII-5317337V7V; 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-, (R)-; 5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione; CHEMBL235993; NSC148958; 5317337V7V; NSC 148958; (R)-Ftorafur; Ftorafur, (R)-; Tegafur, (R)-; C8H9FN2O3; 2,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-, (R)-; FT-207 (NSC 148958); R-1-(Tetrahydrofuran-2-yl)-5-fluorouracil; 2-Cyclohexene-1-one  ; NCIMech_000223; SCHEMBL4553; Uracil, 5-fluoro-1-(tetrahydro-2-furyl)-, (R)-; DTXSID8021305; ZINC119895; 2124AH; BDBM50247894; CCG-35341; CCG-36092; NSC200695; s1300; AKOS024306980; NSC-200695; NCGC00386138-01; BT166256; NCI60_001026; Tegafur (FT-207, NSC 148958); F0635; SW220241-1; 5-Fluoro-1-[(R)-tetrahydrofuran-2-yl]uracil; AB01566812_01; 076F689; A823522; 5-fluoro-1-[(2R)-2-oxolanyl]pyrimidine-2,4-dione; Q27261036; 5-fluoranyl-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione; UNII-1548R74NSZ component WFWLQNSHRPWKFK-ZCFIWIBFSA-N; 5-Fluoro-1-(R)-tetrahydro-furan-2-yl-1H-pyrimidine-2,4-dione; 5-fluoro-1-(R)-tetrahydro-furan-2-yl-1H-pyrimidine-2,4-dione, AldrichCPR; 5-fluoro-1-[(2R)-oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	148958	.	.	.	.	200.17	C8H9FN2O3	58.6	316	-0.3	14	1	4	1	"InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)/t6-/m1/s1"	C1C[C@@H](OC1)N2C=C(C(=O)NC2=O)F	WFWLQNSHRPWKFK-ZCFIWIBFSA-N
DG51955	"Phenaleno[1,2-b]thiophen-7-one;phenaleno[2,1-b]thiophen-7-one"	288480	NSC149692; CHEMBL2001603; NSC-149692	.	.	Investigative Drug(s)	Investigative	Small molecular drug	149692	.	.	.	.	472.6	C30H16O2S2	90.6	680	.	34	0	4	0	InChI=1S/2C15H8OS/c16-14-12-6-2-4-9-3-1-5-10(13(9)12)11-7-8-17-15(11)14;16-14-10-5-1-3-9-4-2-6-11(13(9)10)15-12(14)7-8-17-15/h2*1-8H	C1=CC2=C3C(=C1)C4=C(C(=O)C3=CC=C2)SC=C4.C1=CC2=C3C(=C1)C4=C(C=CS4)C(=O)C3=CC=C2	ZISGANMARTVHNR-UHFFFAOYSA-N
DG51956	Methyl 4-amino-4-oxobut-2-ynoate	288678	63424-58-8; methyl 4-amino-4-oxobut-2-ynoate; NSC149967; SCHEMBL7146408; CHEMBL2001725; DTXSID70302285; ZINC1744474; AKOS006361970; NSC-149967; NCI60_001037	.	.	Investigative Drug(s)	Investigative	Small molecular drug	149967	.	.	.	.	127.1	C5H5NO3	69.4	195	-0.2	9	1	3	1	"InChI=1S/C5H5NO3/c1-9-5(8)3-2-4(6)7/h1H3,(H2,6,7)"	COC(=O)C#CC(=O)N	AQKCWIBXLHFMFV-UHFFFAOYSA-N
DG51957	"2-(1,3-Dimethylhexahydro-2-pyrimidinyl)-4-(hydroxy(oxido)amino)phenol"	288749	"NSC150080; NSC-150080; NCIStruc1_000858; NCIStruc2_000694; CHEMBL1448121; CCG-38258; NCGC00014398; NCI150080; ZINC19319661; NCGC00014398-02; NCGC00097505-01; NCI60_001039; 2-(1,3-dimethylhexahydro-2-pyrimidinyl)-4-(hydroxy(oxido)amino)phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150080	.	.	.	.	251.28	C12H17N3O3	72.5	297	1.5	18	1	5	1	"InChI=1S/C12H17N3O3/c1-13-6-3-7-14(2)12(13)10-8-9(15(17)18)4-5-11(10)16/h4-5,8,12,16H,3,6-7H2,1-2H3"	CN1CCCN(C1C2=C(C=CC(=C2)[N+](=O)[O-])O)C	KYDMEEVGQIIUIW-UHFFFAOYSA-N
DG51958	2-(4-Morpholinylmethyl)quinuclidin-3-one	288759	"2-(4-Morpholinylmethyl)quinuclidin-3-one; NSC150094; 41971-48-6; NSC 150094; CHEMBL1991511; SCHEMBL13238753; 2-(morpholinomethyl)quinuclidin-3-one; NSC-150094; NCI60_001040; A825882; 2-(morpholinomethyl)quinuclidin-3-one;1-Benzylimidazole; 1-Azabicyclo[2.2.2]octan-3-one, 2-(4-morpholinylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150094	.	.	.	.	224.3	C12H20N2O2	32.8	268	0	16	0	4	2	"InChI=1S/C12H20N2O2/c15-12-10-1-3-14(4-2-10)11(12)9-13-5-7-16-8-6-13/h10-11H,1-9H2"	C1CN2CCC1C(=O)C2CN3CCOCC3	IICSZVOVTPCORP-UHFFFAOYSA-N
DG51959	2-(Morpholin-4-yl)-4-oxo-4-phenylbutanoic acid	288825	2-(morpholin-4-yl)-4-oxo-4-phenylbutanoic acid; NSC150169; 21813-61-6; 2-morpholin-4-yl-4-oxo-4-phenylbutanoic acid; NSC-150169; CBMicro_028526; CHEMBL1964529; SCHEMBL15599303; DTXSID80302312; BBL000848; MFCD00607961; STK862478; AKOS000545466; MCULE-6541360292; 2-Morpholino-4-oxo-4-phenylbutanoic acid; NCI60_001043; VS-00781; BIM-0028570.P001; CS-0336399; 2-(4-morpholinyl)-4-oxo-4-phenylbutanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150169	.	.	.	.	263.29	C14H17NO4	66.8	319	-1.4	19	1	5	5	"InChI=1S/C14H17NO4/c16-13(11-4-2-1-3-5-11)10-12(14(17)18)15-6-8-19-9-7-15/h1-5,12H,6-10H2,(H,17,18)"	C1COCCN1C(CC(=O)C2=CC=CC=C2)C(=O)O	DHQOIHCQRDTAFZ-UHFFFAOYSA-N
DG51960	"2,3-Dibromo-1-(4-(hydroxy(oxido)amino)phenyl)-3-(4-quinolinyl)-1-propanone"	288920	"NSC150289; NSC-150289; CHEMBL469203; 2,3-dibromo-1-(4-(hydroxy(oxido)amino)phenyl)-3-(4-quinolinyl)-1-propanone; SCHEMBL8738861; BDBM50262190; NCI60_001045"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150289	.	.	.	.	464.1	C18H12Br2N2O3	75.8	491	4.8	25	0	4	4	"InChI=1S/C18H12Br2N2O3/c19-16(14-9-10-21-15-4-2-1-3-13(14)15)17(20)18(23)11-5-7-12(8-6-11)22(24)25/h1-10,16-17H"	C1=CC=C2C(=C1)C(=CC=N2)C(C(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br)Br	OVEVOPGYRGCOMR-UHFFFAOYSA-N
DG51961	"2-[(Tert-butylamino)(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one"	288969	"15982-54-4; NSC150347; 2-[(tert-butylamino)(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one; DTXSID70302346; NSC-150347"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150347	.	.	.	.	333.5	C23H27NO	29.1	519	5.7	25	1	2	4	"InChI=1S/C23H27NO/c1-22(2,3)24-20(16-11-7-6-8-12-16)18-15-23(4,5)19-14-10-9-13-17(19)21(18)25/h6-15,20,24H,1-5H3"	CC1(C=C(C(=O)C2=CC=CC=C21)C(C3=CC=CC=C3)NC(C)(C)C)C	UAZPYFWXSMGWHR-UHFFFAOYSA-N
DG51962	"7-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(3-methylbut-2-enylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile"	289018	"NSC150412; MLS002702031; SMR001565604; 52443-15-9; NSC-150412; cid_289018; CHEMBL1892685; BDBM97030; DTXSID90302348; 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(3-methylbut-2-enylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile; NCI60_001048; 7-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-4-(3-methylbut-2-enylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile; 7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-(3-methylbut-2-enylamino)-5-pyrrolo[2,3-d]pyrimidinecarbonitrile; 7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-(3-methylbut-2-enylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile; 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-methylbut-2-enylamino)-2,4,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene-7-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150412	.	.	.	.	359.4	C17H21N5O4	136	575	0.5	26	4	8	5	"InChI=1S/C17H21N5O4/c1-9(2)3-4-19-15-12-10(5-18)6-22(16(12)21-8-20-15)17-14(25)13(24)11(7-23)26-17/h3,6,8,11,13-14,17,23-25H,4,7H2,1-2H3,(H,19,20,21)"	CC(=CCNC1=C2C(=CN(C2=NC=N1)C3C(C(C(O3)CO)O)O)C#N)C	TXNNQVGUHWYSSM-UHFFFAOYSA-N
DG51963	2-((2-Chloro-4-(hydroxy(oxido)amino)-6-phenanthridinyl)amino)ethanol	289037	NSC150432; MLS000766155; NSC-150432; NCIStruc1_001711; NCIStruc2_000989; SCHEMBL2386644; CHEMBL1406307; CCG-37054; NCGC00014405; NCI150432; ZINC22912001; NCGC00014405-02; NCGC00097512-01; NCI60_001049; SMR000528632; 2-((2-chloro-4-(hydroxy(oxido)amino)-6-phenanthridinyl)amino)ethanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150432	.	.	.	.	317.72	C15H12ClN3O3	91	406	3.5	22	2	5	3	"InChI=1S/C15H12ClN3O3/c16-9-7-12-10-3-1-2-4-11(10)15(17-5-6-20)18-14(12)13(8-9)19(21)22/h1-4,7-8,20H,5-6H2,(H,17,18)"	C1=CC=C2C(=C1)C3=C(C(=CC(=C3)Cl)[N+](=O)[O-])N=C2NCCO	VSWCCNDGUZELDO-UHFFFAOYSA-N
DG51964	Formocortal	289085	"FORMOCORTAL; Fluderma; Cutisterol; Fluoroformylon; Fluoroformylone; Deflamene; 2825-60-7; Cortocin F; Formoftil; FI 6341; UNII-8E21R0Z4M5; Formocortalum; Deflamin; 8E21R0Z4M5; NSC-150527; [2-[(1S,2S,4R,8S,9S,11S,12R,13S)-16-(2-chloroethoxy)-12-fluoro-19-formyl-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-dien-8-yl]-2-oxoethyl] acetate; Cortocin-F; Formocortalum [INN-Latin]; NSC 150527; Formocortal [USAN:INN:BAN]; NSC150527; Deflamene (TN); EINECS 220-584-2; Formocortal (USAN/INN); SCHEMBL4353; CHEMBL1989587; DTXSID00895059; CHEBI:135834; ZINC4216336; DB13664; FI-6341; 3-(2'-Chloroethoxy)-6-formyl-9alpha-fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-3,5-diene-20-one 16,17-acetonide, 21-acetate; 3-(2-Chloroethoxy)-6-formyl-9alpha-fluoropregna-3,5-diene-11beta,16alpha,17,21-tetrol-20-one 21-acetate; 3-(2-Chloroethoxy)-9-fluoro-11beta,16alpha,17,21-tetrahydroxy-20-oxo-pregna-3,5-diene-6-carboxaldehyde, cyclic 16,17-acetal with acetone, 21-acetate; 3-(2-Chloroethoxy)-9alpha-fluoro-6-formyl-11beta,21-dihydroxy-16alpha,17alpha-isopropylidenedioxypregna-3,5-dien-20-one; NCI60_001051; Pregna-3,5-diene-6-carboxaldehyde, 21-(acetyloxy)-3-(2-chloroethoxy)-9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-20-oxo-, (11beta,16alpha)-; D04244; J-017020; 3-(2-Chloroethoxy)-9-fluoro-11.beta.,17,21-tetrahydroxy-20-oxopregna-3,5-diene-6-carboxaldehyde, cyclic 16,17-acetal with acetone, 21-acetate; Pregna-3, 21-(acetyloxy)-3-(2-chloroethoxy)-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-20-oxo-, (11.beta.,16.alpha.)-; Pregna-3, 3-(2-chloroethoxy)-9-fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-20-oxo-, cyclic 16,17-acetal with acetone, 21-acetate; Pregna-3, 3-(2-chloroethoxy)-9-fluoro-11b,16a,17,21-tetrahydroxy-20-oxo-, cyclic 16,17-acetal with acetone, 21-acetate; Pregna-3,5-diene-6-carboxaldehyde, 3-(2-chloroethoxy)-9-fluoro-11-beta,16-alpha,17,21-tetrahydroxy-20-oxo-, cyclic 16,17-acetal with acetone, 21-acetate; Pregna-3,5-diene-6-carboxaldehyde, 3-(2-chloroethoxy)-9-fluoro-11beta,16alpha,17,21-tetrahydroxy-20-oxo-, cyclic 16,17-acetal with acetone, 21-acetate (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150527	.	.	.	.	569.1	C29H38ClFO8	108	1150	3.8	39	1	9	8	"InChI=1S/C29H38ClFO8/c1-16(33)37-15-23(35)29-24(38-25(2,3)39-29)12-20-21-10-17(14-32)19-11-18(36-9-8-30)6-7-26(19,4)28(21,31)22(34)13-27(20,29)5/h11,14,20-22,24,34H,6-10,12-13,15H2,1-5H3/t20-,21-,22-,24+,26-,27-,28-,29+/m0/s1"	CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CC(=C5[C@@]4(CCC(=C5)OCCCl)C)C=O)F)O)C)OC(O2)(C)C	QNXUUBBKHBYRFW-QWAPGEGQSA-N
DG51965	Dihydrogeiparvarim	289493	CHEMBL1995684; 16850-99-0; Dihydrogeiparvarim; NSC151655; DTXSID80302498; BDBM50428436; NSC-151655; NCI60_001062	.	.	Investigative Drug(s)	Investigative	Small molecular drug	151655	.	.	.	.	328.4	C19H20O5	61.8	574	3.3	24	0	5	5	"InChI=1S/C19H20O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6-4-13-5-7-18(21)23-16(13)10-14/h4-7,10-12H,8-9H2,1-3H3"	CC(CCOC1=CC2=C(C=C1)C=CC(=O)O2)C3=CC(=O)C(O3)(C)C	GXTVQAPXQFZGLW-UHFFFAOYSA-N
DG51966	7-Methoxy-2-phenyl-quinolin-4-ol	289743	"7-Methoxy-2-phenyl-quinolin-4-ol; 7-methoxy-2-phenylquinolin-4-ol; 20430-72-2; 189816-04-4; 7-Methoxy-2-phenyl-1H-quinolin-4-one; 7-methoxy-2-phenyl-4-quinolinol; 4-hydroxy-7-methoxy-2-phenylquinoline; 7-methoxy-2-phenylquinolin-4(1H)-one; 4-hydroxy-7-methoxy-2-phenyl quinoline; CHEMBL15831; 4-hydroxy-2-phenyl-7-methoxyquinoline; F3308-2809; 4-Quinolinol, 7-methoxy-2-phenyl-; NSC151980; Lithiumtrifluoroacetate; 7-methoxy-2-phenyl-4(1H)-Quinolinone; SCHEMBL743975; 2-phenyl-7-methoxy-4-quinolinol; BDBM50044962; MFCD08274987; MFCD09057748; ZINC12647602; 7-methoxy-4-hydroxy-2-phenylquinoline; AKOS002367692; AKOS025402459; AC-9306; MCULE-8975252119; NSC-151980; SB68895; 2-phenyl-4-hydroxy-7-methoxy-quinoline; 4-hydroxy-7-methoxy -2-phenylquinoline; 4-hydroxy-2-phenyl -7-methoxyqui noline; AS-32993; CS-0172649; 4-Hydroxy-7-methoxy-2-phenylquinoline AldrichCPR; A814546; A918988; AE-562/43287039; 4-Hydroxy-7-methoxy-2-phenylquinoline, AldrichCPR; A1-04932"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	151980	.	.	.	.	251.28	C16H13NO2	38.3	371	3.2	19	1	3	2	"InChI=1S/C16H13NO2/c1-19-12-7-8-13-15(9-12)17-14(10-16(13)18)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)"	COC1=CC2=C(C=C1)C(=O)C=C(N2)C3=CC=CC=C3	JZVUAOCDNFNSGQ-UHFFFAOYSA-N
DG51967	2-[[2-(4-Chlorophenyl)-6-methoxyquinolin-8-yl]amino]cyclohexan-1-ol	289745	MLS000766166; NSC151982; CHEMBL1329726; REGID_for_CID_289745; HMS2868C09; NSC-151982; SMR000528641	.	.	Investigative Drug(s)	Investigative	Small molecular drug	151982	.	.	.	.	382.9	C22H23ClN2O2	54.4	471	5.1	27	2	4	4	"InChI=1S/C22H23ClN2O2/c1-27-17-12-15-8-11-18(14-6-9-16(23)10-7-14)25-22(15)20(13-17)24-19-4-2-3-5-21(19)26/h6-13,19,21,24,26H,2-5H2,1H3"	COC1=CC(=C2C(=C1)C=CC(=N2)C3=CC=C(C=C3)Cl)NC4CCCCC4O	CGOLNLWHMQSTSZ-UHFFFAOYSA-N
DG51968	Acoschimperoside P	289842	"Neritaloside; Acoschimperoside P; [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate; 639-01-0; 465-13-4; Stropeside, 7CI, 8CI); NSC152153; NSC707149; NSC-152153; NSC-707149; Card-20(22)-enolide,(3.beta.,5.beta.,16.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707149	.	.	.	.	592.7	C32H48O10	141	1110	1.4	42	3	10	6	"InChI=1S/C32H48O10/c1-16-26(35)28(38-5)27(36)29(40-16)42-20-8-10-30(3)19(13-20)6-7-22-21(30)9-11-31(4)25(18-12-24(34)39-15-18)23(41-17(2)33)14-32(22,31)37/h12,16,19-23,25-29,35-37H,6-11,13-15H2,1-5H3/t16 ,19-,20+,21+,22-,23+,25+,26 ,27 ,28 ,29 ,30+,31-,32+/m1/s1"	CC1C(C(C(C(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)O)OC)O	UZQOZJNEDXAJEZ-WAIGGTDDSA-N
DG51969	"6H-Pyrido[4, 5,11-dimethyl-6-(oxiranylmethyl)-"	290108	"NSC152731; Neuro_000083; CHEMBL1999998; NSC-152731; NCI60_001077; 6H-Pyrido[4, 5,11-dimethyl-6-(oxiranylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	152731	.	.	.	.	302.4	C20H18N2O	30.4	455	4.4	23	0	2	2	"InChI=1S/C20H18N2O/c1-12-17-9-21-8-7-15(17)13(2)20-19(12)16-5-3-4-6-18(16)22(20)10-14-11-23-14/h3-9,14H,10-11H2,1-2H3"	CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CC5CO5)C	DNUNVFXDBUOVBS-UHFFFAOYSA-N
DG51970	"2,4-Dichloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine"	290234	"40277-35-8; 2,4-dichloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine; 2,4-DICHLORO-5,6,7,8-TETRAHYDRO-[1]BENZOTHIENO[2,3-D]PYRIMIDINE; NSC153325; SCHEMBL5777811; DTXSID10302749; ZINC1560365; AKOS000280065; AB07325; NSC-153325; 2,4-Dichloro-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine; 2,4-dichloro-5,6,7,8-tetrahydro-[1]-benzothieno-[2,3-d]-pyrimidine; 2,4-Dichloro-5,6,7,8-tetrahydro-[1]benzothieno[2,3-d]pyrimidine 95+%; 2,4-dichloro-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	153325	.	.	.	.	259.149	C10H8Cl2N2S	54	254	4.7	15	0	3	0	InChI=1S/C10H8Cl2N2S/c11-8-7-5-3-1-2-4-6(5)15-9(7)14-10(12)13-8/h1-4H2	C1CCC2=C(C1)C3=C(S2)N=C(N=C3Cl)Cl	CPWQCJFDDILDOU-UHFFFAOYSA-N
DG51971	"3-phenyl-1,13b-dihydro-4H-[1,2,4]triazino[4,3-f]phenanthridine"	290348	"NSC153625; 30589-45-8; NSC-153625; 3-phenyl-1,13b-dihydro-4H-[1,2,4]triazino[4,3-f]phenanthridine; CHEMBL1985916; DTXSID80302791; NCI60_001088"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	153625	.	.	.	.	311.4	C21H17N3	27.6	482	5	24	1	3	1	"InChI=1S/C21H17N3/c1-2-8-15(9-3-1)19-14-24-20-13-7-6-11-17(20)16-10-4-5-12-18(16)21(24)23-22-19/h1-13,21,23H,14H2"	C1C(=NNC2N1C3=CC=CC=C3C4=CC=CC=C24)C5=CC=CC=C5	FAYPZHNTUGZDIX-UHFFFAOYSA-N
DG51972	"Akt Inhibitor V, Triciribine"	290486	"Akt Inhibitor V, Triciribine; NSC154020; MLS002702033; API-2;NSC 154020;TCN; 2-(5-amino-7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol; NSC-154020; Akt inhibitor V; tricyclic nucleoside (TCN); SCHEMBL61269; GTPL5920; CHEMBL1892348; CHEBI:91697; HMS3229A09; HMS3268N05; HMS3654C06; HSCI1_000386; CCG-206732; SB14594; NCI60_001091; SMR001565606; Akt/protein kinase B signaling inhibitor-2; DB-048898; FT-0639291; BRD-A42649439-001-01-0; BRD-A42649439-001-02-8; Q27089024; 1,5,6,8-Pentaazaacenaphthylene, 3-amino-1,5-dihydro-5-methyl-1-.beta.-D-ribofuranosyl; 1,5,6,8-Pentaazaacenaphthylene, 3-amino-1,5-dihydro-5-methyl-1-.beta.-D-ribofuranosyl-; 1,5,6,8-Pentaazaacennaphthylen-3-amine, 1,5-dihydro-5-methyl-1-.beta.-D-ribofuranosyl-; (2R,3R,4S,5R)-2-(5-amino-7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.0^{4,12]dodeca-1(12),3,5,8,10-pentaen-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol; (2S,3S,4S,5S)-2-(5-Amino-7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 2-{5-amino-7-methyl-2,6,7,9,11-pentaazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,5,8,10-pentaen-2-yl}-5-(hydroxymethyl)oxolane-3,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	154020	.	.	.	.	320.3	C13H16N6O4	142	507	-1.6	23	4	8	2	"InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)"	CN1C2=NC=NC3=C2C(=CN3C4C(C(C(O4)CO)O)O)C(=N1)N	HOGVTUZUJGHKPL-UHFFFAOYSA-N
DG51973	"Methanesulfon-m-anisidide, monomethanesulfonate"	290525	"NSC154318; NSC-154318; Methanesulfon-m-anisidide, monomethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	154318	.	.	.	.	554	C23H24ClN3O7S2	161	798	.	36	3	10	6	"InChI=1S/C22H20ClN3O4S.CH4O3S/c1-29-19-6-4-5-16-21(15-9-7-13(23)11-18(15)25-22(16)19)24-17-10-8-14(12-20(17)30-2)26-31(3,27)28;1-5(2,3)4/h4-12,26H,1-3H3,(H,24,25);1H3,(H,2,3,4)"	COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NC4=C(C=C(C=C4)NS(=O)(=O)C)OC)Cl.CS(=O)(=O)O	ZMEYIYCLMKYQNO-UHFFFAOYSA-N
DG51974	"4-(2-(((6-Bromo-1,3-benzodioxol-5-yl)methyl)amino)ethyl)phenol"	290548	"NSC154572; MLS003106405; 34315-37-2; NSC-154572; 4-(2-(((6-bromo-1,3-benzodioxol-5-yl)methyl)amino)ethyl)phenol; NCIStruc1_001795; NCIStruc2_000991; CHEMBL1330957; DTXSID40302838; CCG-37080; NCGC00014419; NCI154572; ZINC31719558; AKOS010486995; NCGC00014419-02; NCGC00097524-01; NCI60_001093; SMR001821311"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	154572	.	.	.	.	350.21	C16H16BrNO3	50.7	323	3.4	21	2	4	5	"InChI=1S/C16H16BrNO3/c17-14-8-16-15(20-10-21-16)7-12(14)9-18-6-5-11-1-3-13(19)4-2-11/h1-4,7-8,18-19H,5-6,9-10H2"	C1OC2=C(O1)C=C(C(=C2)CNCCC3=CC=C(C=C3)O)Br	QZNVRCIXEYLABT-UHFFFAOYSA-N
DG51975	"Urea,6-dichloro-1H-benzimidazol-2-yl)-N,N-dimethyl-"	290653	"NSC154751; ZINC1872923; NSC-154751; Urea,6-dichloro-1H-benzimidazol-2-yl)-N,N-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	154751	.	.	.	.	273.12	C10H10Cl2N4O	61	302	2.3	17	2	2	1	"InChI=1S/C10H10Cl2N4O/c1-16(2)10(17)15-9-13-7-3-5(11)6(12)4-8(7)14-9/h3-4H,1-2H3,(H2,13,14,15,17)"	CN(C)C(=O)NC1=NC2=CC(=C(C=C2N1)Cl)Cl	CSGVYPZRFHMAMW-UHFFFAOYSA-N
DG51976	"4(1H)-quinazolinone,3-dihydro-2-(4-methoxy-2,5-xylyl)-"	290655	"MLS002702034; NSC154756; Neuro_000085; CHEMBL1903253; NCI60_001097; SMR001565607; 4(1H)-quinazolinone,3-dihydro-2-(4-methoxy-2,5-xylyl)-; 4(1H)-Quinazolinone,3-dihydro-2-(4-methoxy-2,5-dimethylphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	154756	.	.	.	.	282.34	C17H18N2O2	50.4	387	3.3	21	2	3	2	"InChI=1S/C17H18N2O2/c1-10-9-15(21-3)11(2)8-13(10)16-18-14-7-5-4-6-12(14)17(20)19-16/h4-9,16,18H,1-3H3,(H,19,20)"	CC1=CC(=C(C=C1OC)C)C2NC3=CC=CC=C3C(=O)N2	GHUXDCRYHKWJLP-UHFFFAOYSA-N
DG51977	Aminomethyl (4-bromophenyl)acetate 4-methylbenzenesulfonate	290763	NSC154966; NSC-154966; CHEMBL1328286; aminomethyl (4-bromophenyl)acetate 4-methylbenzenesulfonate; CCG-37905; NCGC00014422; NCI154966; NCGC00014422-02; NCGC00097527-01; NCI60_001100	.	.	Investigative Drug(s)	Investigative	Small molecular drug	154966	.	.	.	.	416.3	C16H18BrNO5S	115	373	.	24	2	6	5	"InChI=1S/C9H10BrNO2.C7H8O3S/c10-8-3-1-7(2-4-8)5-9(12)13-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-4H,5-6,11H2;2-5H,1H3,(H,8,9,10)"	CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1CC(=O)OCN)Br	MYPWTNXKXQLTLU-UHFFFAOYSA-N
DG51978	"7-Chloro-4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile"	291072	"NSC155595; MLS000766191; 7-Chloro-4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile; NCIMech_000043; CHEMBL1568140; HMS2886G20; NSC-155595; NCI60_001106; SMR000528655"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	155595	.	.	.	.	283.75	C16H14ClN3	47.8	371	4	20	2	3	1	"InChI=1S/C16H14ClN3/c17-12-6-7-14-16(8-12)20-15(9-13(10-18)19-14)11-4-2-1-3-5-11/h1-8,13,15,19-20H,9H2"	C1C(NC2=C(C=C(C=C2)Cl)NC1C3=CC=CC=C3)C#N	JUEAFDHIWLJVJJ-UHFFFAOYSA-N
DG51979	"1-Hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione"	291365	"MLS000766195; NSC156565; 71335-86-9; SMR000528657; 1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione; cid_291365; CHEMBL1509338; REGID_for_CID_291365; SCHEMBL13370284; DTXSID20303085; BDBM114547; ZINC5124960; NSC-156565; MLS000766195-02; 1-hydroxy-4-[4-(2-hydroxyethyl)anilino]-9,10-anthraquinone; 1-[[4-(2-hydroxyethyl)phenyl]amino]-4-oxidanyl-anthracene-9,10-dione; 1-Hydroxy-4-((4-(2-hydroxyethyl)phenyl)amino)anthracene-9,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	156565	.	.	.	.	359.4	C22H17NO4	86.6	557	4.7	27	3	5	4	"InChI=1S/C22H17NO4/c24-12-11-13-5-7-14(8-6-13)23-17-9-10-18(25)20-19(17)21(26)15-3-1-2-4-16(15)22(20)27/h1-10,23-25H,11-12H2"	C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)NC4=CC=C(C=C4)CCO	HEIUNTCQZMXSDO-UHFFFAOYSA-N
DG51980	Nybomycin acetate	291663	"Nybomycin acetate; NSC157004; UNII-Q0R283XR4M; 35982-88-8; Q0R283XR4M; 8,9-dihydro-4-(hydroxymethyl)-6,9-dimethyl-2,8-dioxo-pyrido(3,2-g)quinoline-1(2H)-carboxaldehyde, monoacetate; 8,9-dihydro-4-(hydroxymethyl)-6,9-dimethyl-2,8-dioxo-pyrido[3,2-g]quinoline-1(2H)-carboxaldehyde, monoacetate; NSC 157004; 2H,4H-Oxazolo[5,4,3-ij]pyrido[3,2-g]quinoline-4,10(11H)-dione, 8-[(acetyloxy)methyl]-6,11-dimethyl-; NCIMech_000464; Neuro_000089; CHEMBL1996883; DTXSID40957408; ZINC1583359; CCG-35881; [dimethyl(dioxo)[ ]yl]methyl acetate; AKOS030241278; NSC-157004; NCI60_001130; Q27286862; 2H,4,3-ij]pyrido[3,2-g]quinoline-4,10(11H)-dione, 8-[(acetyloxy)methyl]-6,11-dimethyl-; Pyrido[3, 8,9-dihydro-4-(hydroxymethyl)-6,9-dimethyl-2,8-dioxo-, monoacetate; (6,11-Dimethyl-4,10-dioxo-10,11-dihydro-2H,4H-[1,3]oxazolo[5,4,3-ij]pyrido[3,2-g]quinolin-8-yl)methyl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157004	.	.	.	.	340.3	C18H16N2O5	76.2	712	0.1	25	0	5	3	"InChI=1S/C18H16N2O5/c1-9-4-15(23)20-8-25-18-16-13(6-12(9)17(18)20)11(7-24-10(2)21)5-14(22)19(16)3/h4-6H,7-8H2,1-3H3"	CC1=CC(=O)N2COC3=C2C1=CC4=C3N(C(=O)C=C4COC(=O)C)C	XYJPAUAINJQUMT-UHFFFAOYSA-N
DG51981	Benzyl 2-phenylhydrazinecarboxylate	291832	"40887-05-6; benzyl 2-phenylhydrazinecarboxylate; MLS002920660; N'-Phenyl(benzyloxy)carbohydrazide; Hydrazinecarboxylicacid, 2-phenyl-, phenylmethyl ester; benzyl N-anilinocarbamate; NSC157381; SCHEMBL4908338; CHEMBL2140044; Hydrazinecarboxylic acid, 2-phenyl-, phenylmethyl ester; DTXSID90303214; 3-Phenylcarbazic acid benzyl ester; ZINC1596918; AKOS024333829; MCULE-2131588228; NSC-157381; Phenylmethyl 2-Phenylhydrazinecarboxylate; SMR001798247"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157381	.	.	.	.	242.27	C14H14N2O2	50.4	246	3.3	18	2	3	5	"InChI=1S/C14H14N2O2/c17-14(16-15-13-9-5-2-6-10-13)18-11-12-7-3-1-4-8-12/h1-10,15H,11H2,(H,16,17)"	C1=CC=C(C=C1)COC(=O)NNC2=CC=CC=C2	AOCSTDDQEMIYAG-UHFFFAOYSA-N
DG51982	"2,2'-Oxybis(1,3,2-benzodioxarsole)"	291833	"23886-57-9; 2,2'-oxybis(1,3,2-benzodioxarsole); NSC157382; Pyrocatechol, cyclic arsenite; SCHEMBL2682512; DTXSID50303215; AKOS024430196; MCULE-9219439121; NSC-157382"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157382	.	.	.	.	382.03	C12H8As2O5	46.2	273	.	19	0	5	2	InChI=1S/C12H8As2O5/c1-2-6-10-9(5-1)15-13(16-10)19-14-17-11-7-3-4-8-12(11)18-14/h1-8H	C1=CC=C2C(=C1)O[As](O2)O[As]3OC4=CC=CC=C4O3	OSBURWQDSIHTRB-UHFFFAOYSA-N
DG51983	"2-Tert-butyl-6-(4-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-2,3,5,6-tetramethylbenzyl)-4-methylphenol"	291903	"NSC157469; NSC-157469; 15459-04-8; NCIStruc1_001501; NCIStruc2_001652; 2-tert-butyl-6-(4-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-2,3,5,6-tetramethylbenzyl)-4-methylphenol; CHEMBL1741892; DTXSID30303238; ZINC1596968; CCG-37324; NCGC00014430; NCI157469; AKOS024429848; MCULE-7521715115; ALPHA2,ALPHA'2-(2,3,5,6-TETRAMETHYL-1,4-PHENYLENE)BIS(6-TERT-BUTYL-2,4-XYLENOL); NCGC00014430-02; NCGC00097535-01; NCI60_001144; 6,3,5,6-tetramethyl-1,4-phenylene)bis(methylene)bis(2-tert-butyl-4-methylphenol)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157469	.	.	.	.	486.7	C34H46O2	40.5	625	10.6	36	2	2	6	"InChI=1S/C34H46O2/c1-19-13-25(31(35)29(15-19)33(7,8)9)17-27-21(3)23(5)28(24(6)22(27)4)18-26-14-20(2)16-30(32(26)36)34(10,11)12/h13-16,35-36H,17-18H2,1-12H3"	CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=C(C(=C2C)C)CC3=C(C(=CC(=C3)C)C(C)(C)C)O)C)C	DSJCTVARYPWIFZ-UHFFFAOYSA-N
DG51984	"N-(4-Chlorophenyl)-2,4,6-trinitroaniline"	291920	"N-(4-Chlorophenyl)-2,4,6-trinitroaniline; MLS002920666; 34749-63-8; 4'-Chloro-2,4,6-trinitrodiphenylamine; SMR001798253; N-(4-chlorophenyl)-2,4,6-trinitro-aniline; NSC157487; (4-chlorophenyl)-picryl-amine; cid_291920; SCHEMBL2681112; CHEMBL1889401; BDBM91446; DTXSID20956232; ZINC72137932; NSC-157487; 4-chlorophenyl (2,4,6-trinitrophenyl)amine; N-(4-Chlorophenyl)-2,4,6-trinitroaniline #; A822488"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157487	.	.	.	.	338.66	C12H7ClN4O6	150	444	4.1	23	1	7	2	"InChI=1S/C12H7ClN4O6/c13-7-1-3-8(4-2-7)14-12-10(16(20)21)5-9(15(18)19)6-11(12)17(22)23/h1-6,14H"	C1=CC(=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl	BVQWERYAWIDLFA-UHFFFAOYSA-N
DG51985	"2-[7-chloro-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-1-yl]acetic acid"	292106	"NSC157725; MLS000756282; NSC-157725; NCIStruc1_001357; NCIStruc2_001071; CHEMBL1572184; HMS2885H15; ZINC1601483; CCG-37081; NCGC00014432; NCI157725; NCGC00014432-02; NCGC00097537-01; NCI60_001146; SMR000528660; 2-[7-chloro-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-1-yl]acetic acid; (7-chloro-2-oxo-5-(2-pyridinyl)-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetic acid; (7-Chloro-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157725	.	.	.	.	329.74	C16H12ClN3O3	82.9	511	2.1	23	1	5	3	"InChI=1S/C16H12ClN3O3/c17-10-4-5-13-11(7-10)16(12-3-1-2-6-18-12)19-8-14(21)20(13)9-15(22)23/h1-7H,8-9H2,(H,22,23)"	C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=N3)CC(=O)O	OXHHEQHYXVTMEF-UHFFFAOYSA-N
DG51986	2-Formylphenylboronic acid	292189	"2-Formylphenylboronic acid; 40138-16-7; (2-formylphenyl)boronic acid; 2-Formylbenzeneboronic acid; Boronic acid, (2-formylphenyl)-; Benzaldehyde-2-boronic Acid; MFCD00151822; 2-(Dihydroxyboryl)benzaldehyde; o-formylphenylboronic acid; 2-benzaldehyde boronic acid; 2-formylphenyl boronic acid; CHEMBL139725; (2-Formylphenyl)boronic-10B acid; 269727-10-8; 2-Boronobenzaldehyde; 2-Formylphenylboronicacid; 2-Formylphenyl-Boronic Acid; 2-formylboronic acid; 2-formyl phenylboronic acid; 2-formyl-phenylboronic acid; 2-formyl benzeneboronic acid; 2-formyl phenyl boronic acid; 2-formyl-phenyl-boronic acid; 2-Formylphenylboronic acid #; 2-formyl benzene boronic acid; SCHEMBL233987; ACT04732; ALBB-006095; BCP27349; 2-FORMYLBENZENE BORONIC ACID; Boronic acid, B-(2-formylphenyl)-; BBL104402; BDBM50067904; NSC157839; STK503703; VT1189; AKOS000264852; ZINC169743254; AB03992; AC-5349; AS-2515; CS-W007320; LS00094; NSC-157839; 2-Formylphenylboronic acid, >=95.0%; SY010671; DB-010446; A6709; AM20040404; FT-0612460; EN300-40906; 138F167; A825090; J-509539; F0001-1132; (2-formylphenyl)boronic acid;2,5-Dimethylphenyl isocyanate; 2-Boronobenzaldehyde; 2-(Dihydroxyboryl)benzaldehyde;2-Formylphenylboronic acid; (2-Formylphenyl)boronic acid;2-Boronobenzaldehyde;Benzaldehyde-2-boronic Acid;2-(Dihydroxyboryl)benzaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157839	.	.	.	.	149.94	C7H7BO3	57.5	138	.	11	2	3	2	"InChI=1S/C7H7BO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5,10-11H"	B(C1=CC=CC=C1C=O)(O)O	DGUWACLYDSWXRZ-UHFFFAOYSA-N
DG51987	"2-Methyl-1,2-benzothiazole-3(2h)-thione"	292326	"2-methyl-1,2-benzothiazole-3-thione; 2-methyl-1,2-benzothiazole-3(2h)-thione; 15871-24-6; 2-methyl-1,2-benzisothiazole-3(2H)-thione; NSC158036; CHEMBL1968829; DTXSID50303371; ZINC4823373; AKOS024339779; MCULE-3117629365; NSC-158036; NCI60_001157; AO-435/13038168"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158036	.	.	.	.	181.3	C8H7NS2	60.6	181	2.1	11	0	2	0	"InChI=1S/C8H7NS2/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H3"	CN1C(=S)C2=CC=CC=C2S1	RHJDOWRMOQVRAU-UHFFFAOYSA-N
DG51988	2-(Phenethylthio)acetic acid	292540	"2-(phenethylthio)acetic acid; 99186-25-1; 2-[(2-phenylethyl)sulfanyl]acetic acid; NSC158362; [(2-phenylethyl)thio]acetic acid; [(2-phenylethyl)sulfanyl]acetic acid; 2-(2-phenylethylsulfanyl)acetic acid; NSC-158362; ((2-phenylethyl)thio)acetic acid; Maybridge3_005416; NCIStruc1_000004; NCIStruc2_000185; (2-phenylethylthio)acetic acid; SCHEMBL4574068; CHEMBL1742075; DTXSID20303444; HMS1446G04; ZINC1605957; CCG-38119; NCGC00014434; NCI158362; STK360616; AKOS000264354; MCULE-5406855931; IDI1_016803; Acetic acid, 2-[(2-phenylethyl)thio]-; NCGC00014434-02; NCGC00097539-01; NCI60_001159; CS-0244221; EN300-27369; Z228588554"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158362	.	.	.	.	196.27	C10H12O2S	62.6	153	2.4	13	1	3	5	"InChI=1S/C10H12O2S/c11-10(12)8-13-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)"	C1=CC=C(C=C1)CCSCC(=O)O	KLWBFPUIFBSIJV-UHFFFAOYSA-N
DG51989	"2-(2,4-Dimethylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one"	292555	"MLS002702038; NSC158382; CHEMBL1877184; 2-(2,4-dimethylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one; AKOS001308949; MCULE-5063160197; NSC-158382; NCI60_001161; SMR001565611; J3.516.250J; 4(1H)-Quinazolinone,4-dimethylphenyl)-2,3-dihydro-; Z48978208; 1,2-DIHYDRO-2-(2,4-XYLYL)-4(3H)-QUINAZOLINONE; 2-(2,4-Dimethylphenyl)-2,3-dihydroquinazoline-4(1H)-one; 173555-79-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158382	.	.	.	.	252.31	C16H16N2O	41.1	344	3.3	19	2	2	1	"InChI=1S/C16H16N2O/c1-10-7-8-12(11(2)9-10)15-17-14-6-4-3-5-13(14)16(19)18-15/h3-9,15,17H,1-2H3,(H,18,19)"	CC1=CC(=C(C=C1)C2NC3=CC=CC=C3C(=O)N2)C	FVVLOAVPINWXMY-UHFFFAOYSA-N
DG51990	"2-(2,5-Dimethylphenyl)-2,3-dihydroquinazolin-4(1h)-one"	292556	"NSC158383; 83800-95-7; 2-(2,5-dimethylphenyl)-2,3-dihydroquinazolin-4(1h)-one; MLS000756289; 2-(2,5-dimethylphenyl)-2,3-dihydro-4(1H)-quinazolinone; NSC-158383; Neuro_000092; CHEMBL1611670; 1,2-DIHYDRO-2-(2,5-XYLYL)-4(3H)-QUINAZOLINONE; DTXSID10303453; AKOS001279057; AKOS016872602; MCULE-5156104477; NCI60_001162; SMR000528664; 4(1H)-Quinazolinone,5-dimethylphenyl)-2,3-dihydro-; 4(1H)-Quinazolinone, 2-(2,5-dimethylphenyl)-2,3-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158383	.	.	.	.	252.31	C16H16N2O	41.1	344	3.3	19	2	2	1	"InChI=1S/C16H16N2O/c1-10-7-8-11(2)13(9-10)15-17-14-6-4-3-5-12(14)16(19)18-15/h3-9,15,17H,1-2H3,(H,18,19)"	CC1=CC(=C(C=C1)C)C2NC3=CC=CC=C3C(=O)N2	YJPGBNWVIDVAHH-UHFFFAOYSA-N
DG51991	"2-(3-Methylphenyl)-2,3-dihydroquinazolin-4(1h)-one"	292559	"83800-93-5; MLS002702039; 2-(m-Tolyl)-2,3-dihydroquinazolin-4(1H)-one; 2-(3-methylphenyl)-2,3-dihydroquinazolin-4(1h)-one; NSC158388; Oprea1_502428; 2-(3-methylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one; CHEMBL1876574; 1,2-DIHYDRO-2-(META-TOLYL)-4(3H)-QUINAZOLINONE; AKOS001310105; MCULE-8912408205; NSC-158388; NCI60_001163; SMR001565612; 4(1H)-Quinazolinone,3-dihydro-2-(3-methylphenyl)-; Z48978191; 2-(3-Methylphenyl)-1,2,3,4-tetrahydroquinazoline-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158388	.	.	.	.	238.28	C15H14N2O	41.1	318	2.9	18	2	2	1	"InChI=1S/C15H14N2O/c1-10-5-4-6-11(9-10)14-16-13-8-3-2-7-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18)"	CC1=CC(=CC=C1)C2NC3=CC=CC=C3C(=O)N2	IZRZUJFPYGNHRH-UHFFFAOYSA-N
DG51992	"2-(2-Ethoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one"	292560	"MLS002702040; NSC-158389; NSC158389; Neuro_000093; CHEMBL192626; 2-(2-ethoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one; AKOS001302169; MCULE-3411893622; NCI60_001164; SMR001565613; Z48978391; 173555-81-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158389	.	.	.	.	268.31	C16H16N2O2	50.4	347	2.9	20	2	3	3	"InChI=1S/C16H16N2O2/c1-2-20-14-10-6-4-8-12(14)15-17-13-9-5-3-7-11(13)16(19)18-15/h3-10,15,17H,2H2,1H3,(H,18,19)"	CCOC1=CC=CC=C1C2NC3=CC=CC=C3C(=O)N2	DQLSLPJRMDWSKV-UHFFFAOYSA-N
DG51993	"2-(Naphthalen-2-yl)-1,2-dihydroquinazolin-4-ol"	292561	"MLS003106477; NSC158390; Oprea1_157534; CHEMBL1996197; STK382844; AKOS001316111; AKOS005451809; AKOS016872279; MCULE-3301362077; NSC-158390; NCI60_001165; SMR001821379; 2-(naphthalen-2-yl)-1,2-dihydroquinazolin-4-ol; 2-(2-Naphthyl)-1,2-dihydroquinazoline-4(3H)-one; 1,2-DIHYDRO-2-(2-NAPHTHYL)-4(3H)-QUINAZOLINONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158390	.	.	.	.	274.3	C18H14N2O	41.1	397	3.8	21	2	2	1	"InChI=1S/C18H14N2O/c21-18-15-7-3-4-8-16(15)19-17(20-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,17,19H,(H,20,21)"	C1=CC=C2C=C(C=CC2=C1)C3NC4=CC=CC=C4C(=O)N3	FPWOVEKUXZJCTE-UHFFFAOYSA-N
DG51994	"2-(2,6-Dichlorophenyl)-2,3-dihydroquinazolin-4(1h)-one"	292562	"83800-94-6; 2-(2,6-dichlorophenyl)-2,3-dihydroquinazolin-4(1h)-one; NSC158391; CHEMBL2000876; 2-(2,6-DICHLOROPHENYL)-1,2-DIHYDRO-4(3H)-QUINAZOLINONE; AKOS001291356; AKOS016872588; MCULE-1331372128; NSC-158391; NCI60_001166; Z48978407; 2-(2,6-dichlorophenyl)-1,2,3,4-tetrahydroquinazolin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158391	.	.	.	.	293.1	C14H10Cl2N2O	41.1	342	3.8	19	2	2	1	"InChI=1S/C14H10Cl2N2O/c15-9-5-3-6-10(16)12(9)13-17-11-7-2-1-4-8(11)14(19)18-13/h1-7,13,17H,(H,18,19)"	C1=CC=C2C(=C1)C(=O)NC(N2)C3=C(C=CC=C3Cl)Cl	XNEJBORZTLAGGQ-UHFFFAOYSA-N
DG51995	N-(4-Methylbenzyl)-4-bromoaniline	292569	CHEMBL1993147; NSC158399; ZINC505995; 4-bromo-N-(4-methylbenzyl)aniline; N-(4-Methylbenzyl)-4-bromoaniline; BDBM50489076; AKOS000241129; NSC-158399; NCI60_001167	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158399	.	.	.	.	276.17	C14H14BrN	12	191	4.5	16	1	1	3	"InChI=1S/C14H14BrN/c1-11-2-4-12(5-3-11)10-16-14-8-6-13(15)7-9-14/h2-9,16H,10H2,1H3"	CC1=CC=C(C=C1)CNC2=CC=C(C=C2)Br	WJKFEXKYOWOJPT-UHFFFAOYSA-N
DG51996	"[3,5-Bis(2,4-dimethylphenyl)-4-(2-methoxyacetyl)oxyphenyl] 2-methoxyacetate"	292969	NSC159242; MLS003106504; CHEMBL1868219; SCHEMBL15413528; ZINC1610392; NSC-159242; SMR001821405	.	.	Investigative Drug(s)	Investigative	Small molecular drug	159242	.	.	.	.	462.5	C28H30O6	71.1	629	5.9	34	0	6	10	"InChI=1S/C28H30O6/c1-17-7-9-22(19(3)11-17)24-13-21(33-26(29)15-31-5)14-25(28(24)34-27(30)16-32-6)23-10-8-18(2)12-20(23)4/h7-14H,15-16H2,1-6H3"	CC1=CC(=C(C=C1)C2=CC(=CC(=C2OC(=O)COC)C3=C(C=C(C=C3)C)C)OC(=O)COC)C	BMWURCBFBVQLJI-UHFFFAOYSA-N
DG51997	"5,5'-Diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexayl hexaacetate"	293131	"105201-55-6; 5,5'-Diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexayl hexaacetate; [3,8-diacetyloxy-6-methyl-4-propan-2-yl-7-(1,6,7-triacetyloxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)naphthalen-2-yl] acetate; (+)-Apogossypol Hexaacetate; NSC159451; (-)-Apogossypol Hexaacetate; APOGOSSYPOL HEXAACETATE; Racemic Apogossypol Hexaacetate; DTXSID90303633; ZINC4533741; NSC732804; NSC732805; NSC734247; NSC-159451; NSC-732804; NSC-732805; NSC-734247"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732805	.	.	.	.	714.8	C40H42O12	158	1240	7.5	52	0	12	15	"InChI=1S/C40H42O12/c1-17(2)33-27-13-19(5)35(37(49-23(9)43)29(27)15-31(47-21(7)41)39(33)51-25(11)45)36-20(6)14-28-30(38(36)50-24(10)44)16-32(48-22(8)42)40(52-26(12)46)34(28)18(3)4/h13-18H,1-12H3"	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(C)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(C)C	MBTWPLWRPAVISC-UHFFFAOYSA-N
DG51998	5-F-Anhydro-ara-C hydrochloride	293603	"5-Fluorocyclocytidine; 5'-Fluorocyclocytidine; Anhydro-arabinosyl-5-fluoro-cytosine hydrochloride; MLS002702049; 5-F-Anhydro-ara-C hydrochloride; NSC166641; Cyclo cytidine, 5-fluoro-, hydrochloride; O2,2'-Cyclocytidine, 5-fluoro-, monohydrochloride; CHEMBL1732521; NCI60_001309; SMR001565621; MLS002702049-02; 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol, 7-fluoro-2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, monohydrochloride; 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol, 7-fluoro-2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, monohydrochloride, (2R-(2.alpha.,3.beta.,3a.beta.,9a.beta.))- (MF1); 7-Fluoro-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-ol; 7-fluoro-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[[ ]:[ ]]oxazolo[[ ]]pyrimidin-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166641	.	.	.	.	243.19	C9H10FN3O4	98.4	438	-2.1	17	3	6	1	"InChI=1S/C9H10FN3O4/c10-3-1-13-8-6(5(15)4(2-14)16-8)17-9(13)12-7(3)11/h1,4-6,8,11,14-15H,2H2"	C1=C(C(=N)N=C2N1C3C(O2)C(C(O3)CO)O)F	PAYBYKKERMGTSS-UHFFFAOYSA-N
DG51999	"[methyl(phenylcarbamoyl)amino] N,N-dimethylcarbamodithioate"	293865	"NSC161128; CHEMBL1988821; [methyl(phenylcarbamoyl)amino] N,N-dimethylcarbamodithioate; ZINC1619344; NSC-161128; NCI60_001198; Urea, N-[[(dimethylamino)thioxomethyl]thio]-N-methyl-N'-phenyl-; ((((((Dimethylamino)carbothioyl)thio)(methyl)amino)carbonyl)amino)benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	161128	.	.	.	.	269.4	C11H15N3OS2	93	278	1.9	17	1	3	3	"InChI=1S/C11H15N3OS2/c1-13(2)11(16)17-14(3)10(15)12-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,15)"	CN(C)C(=S)SN(C)C(=O)NC1=CC=CC=C1	DKRAKKBEWHKUMN-UHFFFAOYSA-N
DG52000	NSC162047	294096	"1-Butanone,5-bis[4,4,4-trifluoro-3-hydroxy-2-oxo-3-(trifluoromethyl)butyl]phenyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-; NSC162047; CHEMBL1976836; NSC-162047; NCI60_001205; 1-Butanone,5-bis[4,4,4-trifluoro-3-hydroxy-2-oxo-3-(trifluoromethyl)butyl]phenyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	162047	.	.	.	.	702.3	C21H12F18O6	112	1010	5.1	45	3	24	9	"InChI=1S/C21H12F18O6/c22-16(23,24)13(43,17(25,26)27)6-10(40)9-2-7(4-11(41)14(44,18(28,29)30)19(31,32)33)1-8(3-9)5-12(42)15(45,20(34,35)36)21(37,38)39/h1-3,43-45H,4-6H2"	C1=C(C=C(C=C1CC(=O)C(C(F)(F)F)(C(F)(F)F)O)C(=O)CC(C(F)(F)F)(C(F)(F)F)O)CC(=O)C(C(F)(F)F)(C(F)(F)F)O	HGUWWQSCJRFGHZ-UHFFFAOYSA-N
DG52001	"2-Oxazolamine,3-dihydro-1H-inden-5-yl)-4,5-dihydro-"	294117	"NSC162083; CHEMBL388354; SCHEMBL2798318; ZINC1623476; NSC-162083; NCI60_001207; 2-Oxazolamine,3-dihydro-1H-inden-5-yl)-4,5-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	162083	.	.	.	.	202.25	C12H14N2O	33.6	264	2	15	1	2	2	"InChI=1S/C12H14N2O/c1-2-9-4-5-11(8-10(9)3-1)14-12-13-6-7-15-12/h4-5,8H,1-3,6-7H2,(H,13,14)"	C1CC2=C(C1)C=C(C=C2)NC3=NCCO3	WFWKKOBZBLAREI-UHFFFAOYSA-N
DG52002	"2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone"	294204	"NSC162215; 34844-36-5; NSC-162215; 2-ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone; CHEMBL1998349; DTXSID10303812; NCI60_001210"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	162215	.	.	.	.	320.25	C11H10F6O2S	65.5	351	3.9	20	1	9	4	"InChI=1S/C11H10F6O2S/c1-2-6(8(18)7-4-3-5-20-7)9(19,10(12,13)14)11(15,16)17/h3-6,19H,2H2,1H3"	CCC(C(=O)C1=CC=CS1)C(C(F)(F)F)(C(F)(F)F)O	NYGZGAZDWNXLMT-UHFFFAOYSA-N
DG52003	3-Chloro-10-methylacridin-9(10h)-one	294452	"3-chloro-10-methylacridin-9(10h)-one; 58658-41-6; MLS003106547; 9-Acridanone, 3-chloro-10-methyl-; 3-chloro-10-methylacridin-9-one; NSC162887; CHEMBL1881614; SCHEMBL11374483; DTXSID10303857; ZINC5010498; NSC-162887; 3-Chloro-10-methylacridine-9(10H)-one; NCI60_001217; SMR001821446"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	162887	.	.	.	.	243.69	C14H10ClNO	20.3	319	3.7	17	0	2	0	"InChI=1S/C14H10ClNO/c1-16-12-5-3-2-4-10(12)14(17)11-7-6-9(15)8-13(11)16/h2-8H,1H3"	CN1C2=CC=CC=C2C(=O)C3=C1C=C(C=C3)Cl	IBBMWCKISGYFMK-UHFFFAOYSA-N
DG52004	Diketocoriolin B	294475	"Diketocoriolin B; NSC163027; 34864-30-7; CHEMBL1965894; DTXSID00956351; ZINC73311935; NSC-163027; NCI60_001220; 3a,5,5-trimethyl-2,7-dioxooctahydro-3ah-spiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3,2'-oxiran]-4-yl octanoate; Octanoic acid,3.beta.,3a.beta.,3b.alpha.,4.alpha.,6a.alpha.,7aR*))-octahydro-3a,5,5-trimethyl-2,7-dioxospiro(cyclopenta[4,5]pentaleno[1,6a-b]-oxirene-3(3aH),2'-oxiran)-4-yl ester; Octanoic acid,7-dioxospiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3(3aH),2'-oxiran]-4-yl ester, [1aS-(1a.alpha.,3.beta.,3a.beta.,3b.alpha.,4.alpha.,6a.beta.,7aR*)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163027	.	.	.	.	404.5	C23H32O6	85.5	788	3.6	29	0	6	8	"InChI=1S/C23H32O6/c1-5-6-7-8-9-10-14(24)28-18-15-13(11-20(18,2)3)16(25)23-19(29-23)17(26)22(12-27-22)21(15,23)4/h13,15,18-19H,5-12H2,1-4H3/t13-,15-,18+,19+,21+,22-,23+/m1/s1"	CCCCCCCC(=O)O[C@H]1[C@H]2[C@@H](CC1(C)C)C(=O)[C@@]34[C@@]2([C@@]5(CO5)C(=O)[C@@H]3O4)C	WEFMOIXWHANDPP-BAPOVYBWSA-N
DG52005	"2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-6-yl)ethyl benzoate"	294609	"NSC163443; MLS000756315; NSC-163443; NCIMech_000426; NCIStruc1_001343; NCIStruc2_001926; CHEMBL1374334; SCHEMBL20526838; 2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-6-yl)ethyl benzoate; ZINC1635676; CCG-35930; CCG-36916; NCGC00014455; NCI163443; NCGC00014455-02; NCGC00014455-03; NCGC00097560-01; NCGC00097560-02; NCI60_001239; SMR000528676"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163443	.	.	.	.	394.5	C26H22N2O2	44.1	604	5.7	30	0	3	5	"InChI=1S/C26H22N2O2/c1-17-22-16-27-13-12-20(22)18(2)25-24(17)21-10-6-7-11-23(21)28(25)14-15-30-26(29)19-8-4-3-5-9-19/h3-13,16H,14-15H2,1-2H3"	CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CCOC(=O)C5=CC=CC=C5)C	PPANGFXMJDUHNG-UHFFFAOYSA-N
DG52006	Acivicin	294641	"acivicin; 42228-92-2; Antibiotic AT 125; AT-125; Acivicine; Acivicino; Acivicinum; AT 125; NSC-163501; ACIA; NSC 163501; NSC163501; (2S)-2-Amino-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid; UNII-O0X60K76I6; U 42126; U-42,126; U-42126; (alphaS,5S)-alpha-Amino-3-chloro-2-isoxazoline-5-acetic acid; CHEBI:74545; (S)-2-Amino-2-((S)-3-chloro-4,5-dihydroisoxazol-5-yl)acetic acid; O0X60K76I6; (alpha-S,5S)-alpha-Amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid; U 42,126; (2S)-Amino[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid; Acivicin [USAN:INN]; Acivicine [INN-French]; Acivicinum [INN-Latin]; Acivicino [INN-Spanish]; C5H7ClN2O3; NCGC00095996-01; BRN 1074648; Spectrum_000343; Acivicin (USAN/INN); Spectrum3_001857; Spectrum4_000902; Spectrum5_001706; NCIMech_000028; SCHEMBL4159; DSSTox_CID_26010; DSSTox_RID_81286; DSSTox_GSID_46010; BSPBio_003274; KBioGR_001364; KBioSS_000823; DivK1c_000672; SPECTRUM1502002; Acivicin, >=98% (HPLC); CHEMBL1231101; DTXSID0046010; GTPL11402; HMS502B14; KBio1_000672; KBio2_000823; KBio2_003391; KBio2_005959; KBio3_002775; NINDS_000672; AT125; 76898-56-1; ZINC3871381; Tox21_111545; (2S)-amino[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid; (alphaS,5S)-alpha-Amino-3-chlor-4,5-dihydro-5-isoxazolylessigsaeure; (S-(R*,R*))-4,5-Dihydro-alpha-amino-3-chloro-5-isoxazoleacetic acid; CCG-35436; MFCD00866432; AKOS027327575; L-(alphaS,5S)-alpha-amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid; CS-W017302; HY-W016586; IDI1_000672; NCGC00178172-01; AS-56028; NCI60_001241; CAS-42228-92-2; X6878; D02755; A825818; Q4674217; 5-Isoxazoleacetic acid,5-dihydro-, [S-(R*,R*)]-; BRD-K11632748-001-02-5; (2S)-amino[(5S)-3-chloro-4,5-dihydroisoxazol-5-yl]ethanoic acid; (a-S, 5S)-a-Amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid; (2S)-2-amino-2-[(5S)-3-chloro-4,5-dihydroisoxazol-5-yl]acetic acid; (alphaS,5S)-alpha-amino-3-chloro- 4,5-dihydro-5-isoxazol-acetic acid; (alphaS,5S)-alpha-amino-3-chloro-4,5-dihydro-5-isoxazol-acetic acid; (alphaS,5S)-alpha-amino-3-chloro-4,5-dihydro-5-isoxazole acetic acid; .alpha.-Amino-3-chloro-4,5-dihydro-[S-(R*,R*)]-5-isoxazoleacetatic acid; 5-Isoxazoleacetic acid, alpha-amino-3-chloro-4,5-dihydro-, (S-(R*,R*))-; 5-ISOXAZOLEACETIC ACID, 4,5-DIHYDRO-alpha-AMINO-3-CHLORO-, (S-(R*,R*))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163501	.	.	.	.	178.57	C5H7ClN2O3	84.9	206	-2.7	11	2	5	2	"InChI=1S/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)/t2-,4-/m0/s1"	C1[C@H](ON=C1Cl)[C@@H](C(=O)O)N	QAWIHIJWNYOLBE-OKKQSCSOSA-N
DG52007	(2-Dimethylarsanylsulfanylpyrimidin-4-yl)sulfanyl-dimethylarsane	294741	"51678-00-3; NSC163664; DTXSID20303949; (2-dimethylarsanylsulfanylpyrimidin-4-yl)sulfanyl-dimethylarsane; NSC-163664; Arsinothious acid, 2,4-pyrimidinediyl ester; DIMETHYLARSINOTHIOUS ACID,4-PYRIMIDINEDIYL ESTER"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163664	.	.	.	.	352.2	C8H14As2N2S2	76.4	169	.	14	0	4	4	"InChI=1S/C8H14As2N2S2/c1-9(2)13-7-5-6-11-8(12-7)14-10(3)4/h5-6H,1-4H3"	C[As](C)SC1=NC(=NC=C1)S[As](C)C	MDWJHUUGASJAGQ-UHFFFAOYSA-N
DG52008	"N-[4-(2,4-dinitrophenoxy)phenyl]-2,4-dinitroaniline"	294848	"MLS000756325; 6731-01-7; NSC163910; N-[4-(2,4-dinitrophenoxy)phenyl]-2,4-dinitroaniline; CHEMBL1413007; DTXSID50304020; HMS2885I06; ZINC17465965; AKOS024429067; MCULE-8931451221; NSC-163910; SMR000528681"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163910	.	.	.	.	441.3	C18H11N5O9	205	708	4.9	32	1	10	4	"InChI=1S/C18H11N5O9/c24-20(25)12-3-7-15(16(9-12)22(28)29)19-11-1-5-14(6-2-11)32-18-8-4-13(21(26)27)10-17(18)23(30)31/h1-10,19H"	C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]	CMNWVSMJEYBPCQ-UHFFFAOYSA-N
DG52009	"6-(6-Chlorohexyl)-5,11-dimethylpyrido[4,3-b]carbazole"	294879	NSC164018; CHEMBL2005002; ZINC13281455; NSC-164018; NCI60_001251	.	.	Investigative Drug(s)	Investigative	Small molecular drug	164018	.	.	.	.	364.9	C23H25ClN2	17.8	456	6.7	26	0	1	6	"InChI=1S/C23H25ClN2/c1-16-20-15-25-13-11-18(20)17(2)23-22(16)19-9-5-6-10-21(19)26(23)14-8-4-3-7-12-24/h5-6,9-11,13,15H,3-4,7-8,12,14H2,1-2H3"	CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CCCCCCCl)C	QXRJZUMTRPUNTN-UHFFFAOYSA-N
DG52010	N-(3-chloro-4-methylphenyl)-2-(4-chlorophenoxy)acetamide	295211	N-(3-chloro-4-methylphenyl)-2-(4-chlorophenoxy)acetamide; NSC164371; Oprea1_264915; Oprea1_423006; CHEMBL1979025; ZINC399573; STK209839; AKOS001402750; CCG-348414; MCULE-8713150472; NSC-164371; 3'-CHLORO-2-(4-CHLOROPHENOXY)-4'-METHYLACETANILIDE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	164371	.	.	.	.	310.2	C15H13Cl2NO2	38.3	319	5	20	1	2	4	"InChI=1S/C15H13Cl2NO2/c1-10-2-5-12(8-14(10)17)18-15(19)9-20-13-6-3-11(16)4-7-13/h2-8H,9H2,1H3,(H,18,19)"	CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)Cl)Cl	NAJZUPOKXMXWBW-UHFFFAOYSA-N
DG52011	"2-[(3,5-Dibromo-2-ethoxyphenyl)methylidene]propanedinitrile"	295572	"NSC164970; CHEMBL1981601; 2-[(3,5-dibromo-2-ethoxyphenyl)methylidene]propanedinitrile; ZINC640458; MCK103032; AKOS024430252; MCULE-2311085014; NSC-164970; NCI60_001262; Propanedinitrile,5-dibromo-2-ethoxyphenyl)methylene]-; (3,5-DIBROMO-2-ETHOXYBENZYLIDENE)-MALONONITRILE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	164970	.	.	.	.	356.01	C12H8Br2N2O	56.8	372	3.7	17	0	3	3	"InChI=1S/C12H8Br2N2O/c1-2-17-12-9(3-8(6-15)7-16)4-10(13)5-11(12)14/h3-5H,2H2,1H3"	CCOC1=C(C=C(C=C1Br)Br)C=C(C#N)C#N	STZBTXRTNMNVGJ-UHFFFAOYSA-N
DG52012	"3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione"	295583	"3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione; 93429-24-4; NSC164981; UNII-73JC4A352T; 73JC4A352T; NSC 164981; 3-benzyl-5-propan-2-yl-1,3,5-thiadiazinane-2-thione; ChemDiv3_012881; Oprea1_449153; MLS000683003; CHEMBL1400005; DTXSID50239424; HMS1509J11; HMS2714B03; CCG-34013; ZINC23153917; AKOS024582680; MCULE-5109094821; NSC-164981; NCGC00246605-01; NCI60_001263; SMR000323065; SR-01000571327; SR-01000571327-1; BRD-K21062423-001-01-7; F0547-0157; 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-(1-methylethyl)-3-(phenylmethyl)-; 2H-1,5-Thiadiazine-2-thione, tetrahydro-5-(1-methylethyl)-3-(phenylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	164981	.	.	.	.	266.4	C13H18N2S2	63.9	262	3.6	17	0	3	3	"InChI=1S/C13H18N2S2/c1-11(2)15-9-14(13(16)17-10-15)8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3"	CC(C)N1CN(C(=S)SC1)CC2=CC=CC=C2	UNAZWQQECWZDDN-UHFFFAOYSA-N
DG52013	"3-(2-Aminophenyl)sulfanyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione"	295591	MLS000756343; NSC164991; Oprea1_770419; CHEMBL1325880; HMS2885N08; MCULE-8395055326; NSC-164991; SMR000528689	.	.	Investigative Drug(s)	Investigative	Small molecular drug	164991	.	.	.	.	367.2	C16H12Cl2N2O2S	88.7	479	3.6	23	1	4	3	"InChI=1S/C16H12Cl2N2O2S/c17-10-6-5-9(7-11(10)18)20-15(21)8-14(16(20)22)23-13-4-2-1-3-12(13)19/h1-7,14H,8,19H2"	C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)Cl)Cl)SC3=CC=CC=C3N	GJEPFNGOMIWOHX-UHFFFAOYSA-N
DG52014	"2-Amino-6-chloropyridine-3,5-dicarbonitrile"	295901	"2-amino-6-chloropyridine-3,5-dicarbonitrile; 51768-01-5; 2-Amino-6-chloro-3,5-dicyanopyridine; 2-amino-6-chloro-3,5-pyridinedicarbonitrile; NSC165528; 3, 2-amino-6-chloro-; SCHEMBL3369289; CHEMBL1973945; DTXSID90304367; MFCD00204019; ZINC26894918; AKOS006345212; NSC-165528; QC-6498; 2-Amino-6-chloro-3,5-dicyanopyridine ; NCGC00188748-01; NCI60_001268; DB-082242; 2-Chloro-6-aminopyridine-3,5-dicarbonitrile; AM20061274; CS-0237838; FT-0691550; Z2500; 2-amino-6-chloropyridine-3,5-dicarbo-nitrile; E70466; J-507984"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	165528	.	.	.	.	178.58	C7H3ClN4	86.5	259	1.5	12	1	4	0	"InChI=1S/C7H3ClN4/c8-6-4(2-9)1-5(3-10)7(11)12-6/h1H,(H2,11,12)"	C1=C(C(=NC(=C1C#N)Cl)N)C#N	OKTHXARAGRKGBQ-UHFFFAOYSA-N
DG52015	Deoxynyboquinone	295934	"Deoxynyboquinone; 96748-86-6; NSC165572; 1,4,6-Trimethylpyrido[3,2-g]quinoline-2,5,8,10(1H,9H)-tetraone; 1,4,6-trimethylpyrido[3,2-g]quinoline-2,5,8,10(1H,9H)-tetrone; Deoxynyboqionone; CHEMBL1972926; SCHEMBL14873825; 1,4,6-trimethyl-9H-pyrido[3,2-g]quinoline-2,5,8,10-tetrone; NSC-165572; NCI60_001271; HY-108992; CS-0033907; Pyrido[3,5,8,10(1H,9H)-tetrone, 1,4,6-trimethyl-; 8-hydroxy-1,4,6-trimethyl-pyrido[3,2-g]quinoline-2,5,10-trione; {Pyrido[3,2-g]quinoline-2,5,8,10(1H,9H)-tetrone,} 1,4,6-trimethyl-; 8-Hydroxy-1,4,6-trimethylpyrido[3,2-g]quinoline-2,5,10(1H)-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	165572	.	.	.	.	284.27	C15H12N2O4	83.6	778	-0.7	21	1	4	0	"InChI=1S/C15H12N2O4/c1-6-4-8(18)16-12-10(6)14(20)11-7(2)5-9(19)17(3)13(11)15(12)21/h4-5H,1-3H3,(H,16,18)"	CC1=CC(=O)NC2=C1C(=O)C3=C(C2=O)N(C(=O)C=C3C)C	KJYPAIRTXRKKHG-UHFFFAOYSA-N
DG52016	S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate	296105	"NSC165897; 40448-85-9; S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate; MLS002703021; 2-CYANO-6-METHOXY-1(2H)-QUINOLINECARBOTHIOIC ACID, S-ETHYL ESTER; NSC 165897; S-ethyl 2-cyano-6-methoxy-2H-quinoline-1-carbothioate; NCIMech_000243; CHEMBL1706468; NSC-165897; NCI60_001281; SMR001566829; 1(2H)Quinolinecarbothioic acid, S-ethyl ester; 1(2H)-Quinolinecarbothioic acid, 2-cyano-6-methoxy-, S-ethyl ester; 1(2H)Quinolinecarbothioic acid, 2-cyano-6-methoxy-, S-ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	165897	.	.	.	.	274.34	C14H14N2O2S	78.6	415	2.9	19	0	4	3	"InChI=1S/C14H14N2O2S/c1-3-19-14(17)16-11(9-15)5-4-10-8-12(18-2)6-7-13(10)16/h4-8,11H,3H2,1-2H3"	CCSC(=O)N1C(C=CC2=C1C=CC(=C2)OC)C#N	RRBZCSKOQKCQJF-UHFFFAOYSA-N
DG52017	4-Thiocyanato-benzenesulfonamide	296284	4-Thiocyanato-benzenesulfonamide; CHEMBL363086; NSC166291; SCHEMBL16407107; ZINC1655602; BDBM50155502; NSC-166291; NCI60_001289	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166291	.	.	.	.	214.3	C7H6N2O2S2	118	303	1.2	13	1	5	2	"InChI=1S/C7H6N2O2S2/c8-5-12-6-1-3-7(4-2-6)13(9,10)11/h1-4H,(H2,9,10,11)"	C1=CC(=CC=C1SC#N)S(=O)(=O)N	JAOXYZVWRQDPGB-UHFFFAOYSA-N
DG52018	"9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(4-methyl-1-piperazinyl)ethyl]amino]-"	296321	"NSC166381; NCIMech_000475; CHEMBL1989048; CCG-35721; ZINC102933803; NSC-166381; NCI60_001294; 9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(4-methyl-1-piperazinyl)ethyl]amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166381	.	.	.	.	383.5	C21H25N3O2S	81.1	512	1.8	27	2	6	5	"InChI=1S/C21H25N3O2S/c1-23-10-12-24(13-11-23)9-8-22-17-7-6-15(14-25)21-19(17)20(26)16-4-2-3-5-18(16)27-21/h2-7,22,25H,8-14H2,1H3"	CN1CCN(CC1)CCNC2=C3C(=C(C=C2)CO)SC4=CC=CC=C4C3=O	ZBTCQRIBGXSGEE-UHFFFAOYSA-N
DG52019	"Benzamide,5-dihydro-4-oxo-1,3,5-triazin-2-yl]-4-methyl-"	296462	"NSC166624; CHEMBL1990169; NSC-166624; NCI60_001306; Benzamide,5-dihydro-4-oxo-1,3,5-triazin-2-yl]-4-methyl-; Benzamide,5-dihydro-4-oxo-1,3,5-triazin-2-yl]-4-methyl-, hydrate (4:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166624	.	.	.	.	346.34	C16H18N4O5	124	585	1.1	25	3	5	4	"InChI=1S/C16H18N4O5/c1-9-2-4-10(5-3-9)14(23)18-15-17-8-20(16(24)19-15)13-6-11(22)12(7-21)25-13/h2-5,8,11-13,21-22H,6-7H2,1H3,(H,18,19,23,24)"	CC1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=N2)C3CC(C(O3)CO)O	CQWYJPHRKVKMEU-UHFFFAOYSA-N
DG52020	"5,6-dichloro-1-(3-(4-morpholinyl)propyl)-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine"	296473	"NSC166637; MLS003106612; NSC-166637; NCIStruc1_001559; NCIStruc2_001958; CHEMBL1489359; CCG-36945; NCGC00014472; NCI166637; ZINC31719790; NCGC00014472-02; NCGC00097577-01; NCI60_001307; SMR001821505; 5,6-dichloro-1-(3-(4-morpholinyl)propyl)-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166637	.	.	.	.	384.18	C13H14Cl2F3N5O	56.1	427	2.8	24	0	8	4	"InChI=1S/C13H14Cl2F3N5O/c14-8-9(15)20-11-10(19-8)21-12(13(16,17)18)23(11)3-1-2-22-4-6-24-7-5-22/h1-7H2"	C1COCCN1CCCN2C3=C(N=C(C(=N3)Cl)Cl)N=C2C(F)(F)F	SEVICFAAJPXUER-UHFFFAOYSA-N
DG52021	"ethyl (5,6-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-1-yl)acetate"	296474	"NSC166638; MLS002702048; NSC-166638; NCIStruc1_001599; NCIStruc2_001950; CHEMBL1532319; ZINC1659789; CCG-37167; NCGC00014473; NCI166638; NCGC00014473-02; NCGC00097578-01; NCI60_001308; SMR001565620; ethyl (5,6-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-1-yl)acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166638	.	.	.	.	343.09	C10H7Cl2F3N4O2	69.9	401	3.2	21	0	8	4	"InChI=1S/C10H7Cl2F3N4O2/c1-2-21-4(20)3-19-8-7(16-5(11)6(12)17-8)18-9(19)10(13,14)15/h2-3H2,1H3"	CCOC(=O)CN1C2=C(N=C(C(=N2)Cl)Cl)N=C1C(F)(F)F	GPUPKROWDMLUBY-UHFFFAOYSA-N
DG52022	"Pyrazinecarbonitrile, 3-chloro-5-(dichloromethyl)-"	296636	"NSC167063; CHEMBL1986220; ZINC1659965; NSC-167063; NCI60_001319; Pyrazinecarbonitrile, 3-chloro-5-(dichloromethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	167063	.	.	.	.	222.5	C6H2Cl3N3	49.6	200	1.9	12	0	3	1	"InChI=1S/C6H2Cl3N3/c7-5(8)4-2-11-3(1-10)6(9)12-4/h2,5H"	C1=C(N=C(C(=N1)C#N)Cl)C(Cl)Cl	GYBZCEWRLOKTNT-UHFFFAOYSA-N
DG52023	2-Bromo-2-methyl-1-indanone	296770	"2-Bromo-2-methyl-1-indanone; NSC167249; 5728-91-6; NSC 167249; 2-bromo-2-methyl-indan-1-one; CHEMBL1972380; SCHEMBL10909881; 1H-Inden-1-one,3-dihydro-2-methyl-; NSC-167249; NCI60_001322; 1H-Inden-1-one, 2-bromo-2,3-dihydro-2-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	167249	.	.	.	.	225.08	C10H9BrO	17.1	214	2.7	12	0	1	0	"InChI=1S/C10H9BrO/c1-10(11)6-7-4-2-3-5-8(7)9(10)12/h2-5H,6H2,1H3"	CC1(CC2=CC=CC=C2C1=O)Br	RECHMHWGWSZYCV-UHFFFAOYSA-N
DG52024	"4,8,9,9-Tetracarbonitrile, 3a,4,7,7a-tetrahydro-"	296973	"NSC167550; CHEMBL1972033; NSC-167550; NCI60_001326; 4,8,9,9-tetracarbonitrile, 3a,4,7,7a-tetrahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	167550	.	.	.	.	246.27	C15H10N4	95.2	672	0.9	19	0	4	0	"InChI=1S/C15H10N4/c16-6-14(7-17)12-4-5-13(15(14,8-18)9-19)11-3-1-2-10(11)12/h1-2,4-5,10-13H,3H2"	C1C=CC2C1C3C=CC2C(C3(C#N)C#N)(C#N)C#N	CYSTZUCLHDKJNU-UHFFFAOYSA-N
DG52025	"5H-Pyrido[3,4]benzothiazine-5-ethanol, acetate (ester)"	297252	"NSC168221; MLS003106691; NCIMech_000005; CHEMBL1905641; ZINC1669237; CCG-35211; NSC-168221; NCI60_001333; SMR001821583; 5H-Pyrido[3,4]benzothiazine-5-ethanol, acetate (ester); 5H-Pyrido[3,4-b][1,4]benzothiazine-5-ethanol, acetate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	168221	.	.	.	.	286.4	C15H14N2O2S	67.7	353	2.6	20	0	5	4	"InChI=1S/C15H14N2O2S/c1-11(18)19-9-8-17-12-4-2-3-5-14(12)20-15-10-16-7-6-13(15)17/h2-7,10H,8-9H2,1H3"	CC(=O)OCCN1C2=C(C=NC=C2)SC3=CC=CC=C31	OFVSUBFHWAFLLQ-UHFFFAOYSA-N
DG52026	"5,3,3-Trifluoro-2-trifluoromethyl)propyl]benzoxazole"	297305	"NSC168415; NCIMech_000399; CHEMBL1973730; ZINC1669309; CCG-35925; NSC-168415; NCI60_001335; 5,3,3-trifluoro-2-trifluoromethyl)propyl]benzoxazole; Benzoxazole,6-dimethyl-2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	168415	.	.	.	.	309.21	C13H9F6NO	26	400	5.2	21	0	8	1	"InChI=1S/C13H9F6NO/c1-6-3-8-9(4-7(6)2)21-11(20-8)5-10(12(14,15)16)13(17,18)19/h3-5H,1-2H3"	CC1=CC2=C(C=C1C)OC(=N2)C=C(C(F)(F)F)C(F)(F)F	LVXLMKQEGJQKKG-UHFFFAOYSA-N
DG52027	"Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester"	297307	"6768-20-3; Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester; NSC168418; Malonic acid, (o-chlorobenzylidene)-, diethyl ester; CHEMBL1991082; SCHEMBL11781170; DTXSID60304935; ZINC1669311; NSC-168418; NCI60_001336; Diethyl 2-(2-chlorobenzylidene)malonate #; (o-Chlorobenzylidene)malonic acid diethyl ester; [(2-Chlorophenyl)methylene]propanedioic acid, diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	168418	.	.	.	.	282.72	C14H15ClO4	52.6	331	3.1	19	0	4	7	"InChI=1S/C14H15ClO4/c1-3-18-13(16)11(14(17)19-4-2)9-10-7-5-6-8-12(10)15/h5-9H,3-4H2,1-2H3"	CCOC(=O)C(=CC1=CC=CC=C1Cl)C(=O)OCC	OJWGHOBMLQZGJO-UHFFFAOYSA-N
DG52028	"2-(2-(2,5-Dimethoxyphenyl)ethyl)-1,4-dimethoxybenzene"	297389	"UNII-EO9Y3CZ0PC; NSC168516; EO9Y3CZ0PC; 20306-76-7; 2-(2-(2,5-Dimethoxyphenyl)ethyl)-1,4-dimethoxybenzene; NSC 168516; CHEMBL1966767; DTXSID60174195; 2,2',5,5'-Tetramethoxy-bibenzyl; ZINC1673675; NSC-168516; NCI60_001341; Benzene,1'-(1,2-ethanediyl)bis[2,5-dimethoxy-; Benzene, {1,1'-(1,2-ethanediyl)bis[2,5-dimethoxy-}; 2-[2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethoxy-benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	168516	.	.	.	.	302.4	C18H22O4	36.9	280	4	22	0	4	7	"InChI=1S/C18H22O4/c1-19-15-7-9-17(21-3)13(11-15)5-6-14-12-16(20-2)8-10-18(14)22-4/h7-12H,5-6H2,1-4H3"	COC1=CC(=C(C=C1)OC)CCC2=C(C=CC(=C2)OC)OC	PJPONKMXDCEBRP-UHFFFAOYSA-N
DG52029	"2-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione"	297961	"MLS002702056; SMR001565628; 1621-85-8; NSC169517; cid_297961; CHEMBL1730762; BDBM80758; DTXSID40305162; NSC-169517; 2-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione; NCI60_001357; p-Benzoquinone,7-dihydroxy-4-oxo-2-chromanyl)- 5-methoxy-; 2-(5,7-dihydroxy-4-keto-chroman-2-yl)-5-methoxy-p-benzoquinone; 2-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione; 2-[5,7-bis(oxidanyl)-4-oxidanylidene-2,3-dihydrochromen-2-yl]-5-methoxy-cyclohexa-2,5-diene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	169517	.	.	.	.	316.26	C16H12O7	110	618	1	23	2	7	2	"InChI=1S/C16H12O7/c1-22-14-5-9(18)8(4-10(14)19)13-6-12(21)16-11(20)2-7(17)3-15(16)23-13/h2-5,13,17,20H,6H2,1H3"	COC1=CC(=O)C(=CC1=O)C2CC(=O)C3=C(C=C(C=C3O2)O)O	LALMIDHSHXJNPR-UHFFFAOYSA-N
DG52030	"(S)-4,4'-(1-Methyl-1,2-ethanediyl)bis-2,6-piperazinedione"	298076	"24613-06-7; Razoxane, (R)-; ICRF-186; UNII-GGX7PSE8Z2; NSC169779; GGX7PSE8Z2; (S)-4,4'-(1-METHYL-1,2-ETHANEDIYL)BIS-2,6-PIPERAZINEDIONE; NSC-169779; (R)-4,4'-(propane-1,2-diyl)bis(piperazine-2,6-dione); Levrazoxane; NCIMech_000085; NCIMech_000121; ICRF 186; SCHEMBL3339694; CHEMBL1231714; DTXSID50305214; 2, 4,4'-propylenedi-, (-)-; 2,6-Piperazinedione, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (R)-; 4-[(2R)-2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione; CCG-35198; CCG-35213; ZINC87515510; NCI60_001366; (R)-1,2-Bis(3,5-dioxopiperazin-1-yl)propane; 2, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (R)-; (R)-(-)-1,2-Bis(3,5-dioxopiperazin-1-yl)propane; 4,4'-(2R)-propane-1,2-diyldipiperazine-2,6-dione; Q27458761; UNII-5AR83PR647 component BMKDZUISNHGIBY-SSDOTTSWSA-N; 2,6-Piperazinedione, 4,4'-((1R)-1-methyl-1,2-ethanediyl)bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	169779	.	.	.	.	268.27	C11H16N4O4	98.8	404	-1.4	19	2	6	3	"InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m1/s1"	C[C@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2	BMKDZUISNHGIBY-SSDOTTSWSA-N
DG52031	"1,2,3-Trimethoxy-7-(3,4,5-trimethoxyphenyl)naphthalene"	298141	"MLS003106734; CHEMBL1094498; 5320-36-5; 1,2,3-trimethoxy-7-(3,4,5-trimethoxyphenyl)naphthalene; NSC170006; cid_298141; DTXSID40305243; ZINC1678641; BDBM50316629; NSC-170006; SMR001821624"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	170006	.	.	.	.	384.4	C22H24O6	55.4	460	4.6	28	0	6	7	"InChI=1S/C22H24O6/c1-23-17-11-15(12-18(24-2)21(17)27-5)13-7-8-14-10-19(25-3)22(28-6)20(26-4)16(14)9-13/h7-12H,1-6H3"	COC1=CC(=CC(=C1OC)OC)C2=CC3=C(C(=C(C=C3C=C2)OC)OC)OC	HGKHSTXOENHPFT-UHFFFAOYSA-N
DG52032	2-Nitroacridine	298500	2-Nitroacridine; 29808-81-9; 7-nitroacridine; NSC170669; POTASSIUMACRYLATE; CHEMBL2005055; DTXSID60305402; ZINC5011171; MFCD07776937; NSC-170669; AS-56603; CS-0359347; D93049	.	.	Investigative Drug(s)	Investigative	Small molecular drug	170669	.	.	.	.	224.21	C13H8N2O2	58.7	302	3.1	17	0	3	0	InChI=1S/C13H8N2O2/c16-15(17)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)14-13/h1-8H	C1=CC=C2C(=C1)C=C3C=C(C=CC3=N2)[N+](=O)[O-]	VAPQAGMSICPBKJ-UHFFFAOYSA-N
DG52033	"(1,2,4,5-Tetrazine-3,6-diyl)bis[(4-methylphenyl)methanone]"	298782	"20743-79-7; NSC171111; CHEMBL1984617; DTXSID60305563; NSC-171111; NCI60_001383; (1,2,4,5-Tetrazine-3,6-diyl)bis[(4-methylphenyl)methanone]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	171111	.	.	.	.	318.3	C18H14N4O2	85.7	404	2.7	24	0	6	4	"InChI=1S/C18H14N4O2/c1-11-3-7-13(8-4-11)15(23)17-19-21-18(22-20-17)16(24)14-9-5-12(2)6-10-14/h3-10H,1-2H3"	CC1=CC=C(C=C1)C(=O)C2=NN=C(N=N2)C(=O)C3=CC=C(C=C3)C	PISDYKCQRFNUMI-UHFFFAOYSA-N
DG52034	"3-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide"	298930	"MLS000756380; 64724-88-5; CHEMBL1492532; 3-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide; NSC171303; Oprea1_372108; SCHEMBL11149506; DTXSID10305634; ZINC5064462; BDBM50392857; NSC-171303; SMR000528705; 3-nitro-N-(5-nitro-2-thiazolyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	171303	.	.	.	.	294.25	C10H6N4O5S	162	409	2.8	20	1	7	2	"InChI=1S/C10H6N4O5S/c15-9(6-2-1-3-7(4-6)13(16)17)12-10-11-5-8(20-10)14(18)19/h1-5H,(H,11,12,15)"	C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NC=C(S2)[N+](=O)[O-]	QFPGKQYYQDTOFV-UHFFFAOYSA-N
DG52035	"4-amino-6-hydrazinyl-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile"	299517	"22256-94-6; NSC172599; Probes1_000330; Probes2_000478; SCHEMBL6471469; DTXSID50305911; NSC-172599; DS-009216; 4-amino-6-hydrazinyl-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile; 7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile,4-amino-6-hydrazino-7-b-d-ribofuranosyl-(8ci,9ci)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	172599	.	.	.	.	321.29	C12H15N7O4	189	487	-1.5	23	6	10	3	"InChI=1S/C12H15N7O4/c13-1-4-6-9(14)16-3-17-11(6)19(10(4)18-15)12-8(22)7(21)5(2-20)23-12/h3,5,7-8,12,18,20-22H,2,15H2,(H2,14,16,17)"	C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)NN)C#N)N	LYPULEQVVXPJJR-UHFFFAOYSA-N
DG52036	"9H-Purin-2-amine, 9-(2-deoxy-alpha-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-"	299525	"NSC172614; MLS002702059; 61552-41-8; 61552-42-9; SCHEMBL13742861; DTXSID40977121; NSC172613; NSC-172613; NCI60_001395; SMR001565630; 9-(2-Deoxypentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-3,9-dihydro-2H-purin-2-imine; 9H-Purin-2-amine, {9-(2-deoxy--D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1} H-imidazol-5-yl)thio\\]-; 9H-Purin-2-amine, 9-(2-deoxy-.alpha.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-; 9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	172614	.	.	.	.	408.4	C14H16N8O5S	208	586	0.8	28	3	11	4	"InChI=1S/C14H16N8O5S/c1-20-4-17-11(22(25)26)13(20)28-12-9-10(18-14(15)19-12)21(5-16-9)8-2-6(24)7(3-23)27-8/h4-8,23-24H,2-3H2,1H3,(H2,15,18,19)"	CN1C=NC(=C1SC2=NC(=NC3=C2N=CN3C4CC(C(O4)CO)O)N)[N+](=O)[O-]	VQKNUOXJMSCJLJ-UHFFFAOYSA-N
DG52037	Brusatol	299645	"Brusatol; MLS002702060; NSC172924; 14907-98-3; SMR001565631; methyl 10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate; cid_299645; CHEMBL1702665; BDBM93927; NSC-172924; NCI60_001399; FT-0697720; methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0^{1,6.0^{2,17.0^{8,13]nonadec-9-ene-17-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	172924	.	.	.	.	520.5	C26H32O11	166	1150	0.9	37	3	11	5	"InChI=1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,12,14,17-21,29-31H,7-9H2,1-5H3"	CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O	ZZZYHIMVKOHVIH-UHFFFAOYSA-N
DG52038	3-Desmethylcolchicine	299664	"3-Desmethylcolchicine; 3-Demethylcolchicine; 7336-33-6; 3-Demethyl Colchicine; (-)-3-demethylcolchicine; 3-O-Demethylcolchicine; UNII-C939KS8QEL; NSC172946; 3-DESMETHYLCOLCHICIN; C939KS8QEL; CHEMBL1081; N-[(7S)-3-hydroxy-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide; Colchicine, O(3)-demethyl-; O3-Demethylcolchicine; Desmethylcolchicine; O3-Demethyl colchicine; Colchiciine, 3-desmethyl-; Colchicine, O(sup 3)-demethyl-; MLS002703022; COLCHICINE,3-DESMETHYL; NSC 50164; NSC 172946; COLCHICINE, 3-O-DEMETHYL-; Benzoheptalen-9(5H)-one, 7-acetamido-6,7-dihydro-, L-; Acetamide, N-(5,6,7,9-tetrahydro-3-hydroxy-1,2,10-trimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S); cid_494161; 3-O-DEMETHYL COLCHICINE; SCHEMBL12246871; DTXSID30223604; ZINC4212843; BDBM50014866; Colchicine, O(3)-demethyl- (8CI); HY-W021267; NSC-172946; AS-83238; NCI60_001400; Q27275337; N-(3-Hydroxy-1,2,10-trimethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide; Acetamide, N-(5,6,7,9-tetrahydro-3-hydroxy-1,2,10-trimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)- (9CI); Acetamide,6,7,9-tetrahydro-3-hydroxy-1,2,10-trimethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-; N-(5,6,7,9-Tetrahydro-3-hydroxy-1,2,10-trimethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide (S)- (9CI); N-[(7S,12aRa)-3-Hydroxy-1,2,10-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide (3-O-Demethylcolchicine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	172946	.	.	.	.	385.4	C21H23NO6	94.1	724	0.7	28	2	6	4	"InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-17(25)20(27-3)21(28-4)19(12)13-6-8-18(26-2)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1"	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)O	JRRUSQGIRBEMRN-HNNXBMFYSA-N
DG52039	"Carbamic acid, [1-[[[3-chloro-2-oxo-1-(phenylmethyl)propyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester"	299925	"NSC173904; MLS002702061; CHEMBL128304; NSC-173904; NCI60_001408; SMR001565632; Benzyl 1-(((1-benzyl-3-chloro-2-oxopropyl)amino)carbonyl)-3-methylbutylcarbamate; benzyl N-[1-[(1-benzyl-3-chloro-2-oxo-propyl)carbamoyl]-3-methyl-butyl]carbamate; Carbamic acid, [1-[[[3-chloro-2-oxo-1-(phenylmethyl)propyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	173904	.	.	.	.	444.9	C24H29ClN2O4	84.5	572	4.9	31	2	4	12	"InChI=1S/C24H29ClN2O4/c1-17(2)13-21(27-24(30)31-16-19-11-7-4-8-12-19)23(29)26-20(22(28)15-25)14-18-9-5-3-6-10-18/h3-12,17,20-21H,13-16H2,1-2H3,(H,26,29)(H,27,30)"	CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CCl)NC(=O)OCC2=CC=CC=C2	UUJYJBKBCDBZBV-UHFFFAOYSA-N
DG52040	"Pentanamide, 2-(acetylamino)-N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-"	299926	"NSC173905; MLS002702062; CHEMBL1702155; NSC-173905; NCI60_001409; SMR001565633; 2-(Acetylamino)-N-(1-benzyl-3-chloro-2-oxopropyl)-4-methylpentanamide; 2-acetamido-N-(1-benzyl-3-chloro-2-oxo-propyl)-4-methyl-pentanamide; Pentanamide, {2-(acetylamino)-N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl} -; Pentanamide, 2-(acetylamino)-N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	173905	.	.	.	.	352.9	C18H25ClN2O3	75.3	434	3	24	2	3	9	"InChI=1S/C18H25ClN2O3/c1-12(2)9-16(20-13(3)22)18(24)21-15(17(23)11-19)10-14-7-5-4-6-8-14/h4-8,12,15-16H,9-11H2,1-3H3,(H,20,22)(H,21,24)"	CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CCl)NC(=O)C	BDCWQOMLWHXEAK-UHFFFAOYSA-N
DG52041	"2H-Isoindole-2-acetic acid,3-dihydro-1,3-dioxo-, methyl ester"	299982	"NSC174005; CHEMBL1987233; NSC-174005; NCI60_001414; 2H-Isoindole-2-acetic acid,3-dihydro-1,3-dioxo-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174005	.	.	.	.	323.73	C15H14ClNO5	80.8	468	1.5	22	0	5	7	"InChI=1S/C15H14ClNO5/c1-22-15(21)12(7-6-9(18)8-16)17-13(19)10-4-2-3-5-11(10)14(17)20/h2-5,12H,6-8H2,1H3"	COC(=O)C(CCC(=O)CCl)N1C(=O)C2=CC=CC=C2C1=O	OYKOYIWBGZHTMK-UHFFFAOYSA-N
DG52042	"1,4,3,5-Oxathiadiazine-2,6-diamine, N,N'-dimethyl-N,N'-diphenyl-, 4,4-dioxide"	300190	"MLS003106820; 40028-35-1; NSC174518; CHEMBL1901535; DTXSID10306166; ZINC1711386; NSC-174518; NCI60_001425; SMR001821707; 1,3,5-Oxathiadiazine-2,6-diamine, N,N'-dimethyl-N,N'-diphenyl-, 4,4-dioxide; 1,4,3,5-Oxathiadiazine-2,6-diamine, N,N'-dimethyl-N,N'-diphenyl-, 4,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174518	.	.	.	.	344.4	C16H16N4O3S	83	553	2.7	24	0	5	4	"InChI=1S/C16H16N4O3S/c1-19(13-9-5-3-6-10-13)15-17-24(21,22)18-16(23-15)20(2)14-11-7-4-8-12-14/h3-12H,1-2H3"	CN(C1=CC=CC=C1)C2=NS(=O)(=O)N=C(O2)N(C)C3=CC=CC=C3	GRVATEUMRUOCGH-UHFFFAOYSA-N
DG52043	Elesclomol	300471	"Elesclomol; 488832-69-5; STA-4783; Elesclomol (STA-4783); N'1,N'3-dimethyl-N'1,N'3-di(phenylcarbonothioyl)malonohydrazide; UNII-6UK191M53P; CHEBI:79369; Propanedioic acid, bis[2-methyl-2-(phenylthioxomethyl)hydrazide]; 6UK191M53P; 1,3-Bis[2-methyl-2-(phenylthioxomethyl)hydrazide]propanedioic acid; 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethylpropanedihydrazide; 1-N'-Benzenecarbothioyl-3-(2-benzenecarbothioyl-2-methylhydrazinyl)-N'-methyl-oxopropanehydrazidide; C19H20N4O2S2; Elesclomol [USAN:INN]; elesclomolum; N'1,N'3-dimethyl-N'1,N'3-bis(phenylcarbonothioyl)propanedihydrazide; Propanedioic acid, bis(2-methyl-2-(phenylthioxomethyl)hydrazide); STA4783; STA 4783; Elesclomol (USAN); NSC174939; MLS006011164; SCHEMBL313745; CHEMBL1972860; DTXSID2042642; SCHEMBL10131773; EX-A602; HMS3654M11; HMS3868I03; BCP00247; GSK-842879A; ZINC1716098; 1750AH; 2394AH; MFCD12911784; s1052; AKOS005145783; BCP9000639; CCG-264795; CS-0192; DB05719; GSK-842879; NSC-174939; SB17208; NCGC00183656-01; NCGC00183656-02; NCGC00183656-09; NCGC00183656-11; AS-56232; HY-12040; NCI60_001429; SMR004702933; FT-0700480; SW219775-1; EC-000.2312; A23836; D08909; H11160; 832E695; J-503879; N-malonyl-bis (N'-methyl-N'-thiobenzoyl hydrazide); Q5359460; BRD-K82135108-001-01-9; N,N'-Bis[methyl[phenyl(thiocarbonyl)]amino]malonamide; N'(1),N'(3)-dimethyl-N'(1),N'(3)-bis(phenylcarbonothioyl)malonohydrazide; STA-4783; ; ; 1-N',3-N'-Bis(benzenecarbonothioyl)-1-N',3-N'-dimethylpropanedihydrazide; 1-N'-benzenecarbothioyl-3-(2-benzene carbothioyl-2-methylhydrazinyl)-N'-methyloxopropanehydrazidide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174939	.	.	.	.	400.5	C19H20N4O2S2	129	510	2.9	27	2	4	4	"InChI=1S/C19H20N4O2S2/c1-22(18(26)14-9-5-3-6-10-14)20-16(24)13-17(25)21-23(2)19(27)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,20,24)(H,21,25)"	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N
DG52044	"Propanedioic acid, bis[2-[(4-chlorophenyl)thioxomethyl]-2-methylhydrazide]"	300472	"NSC174940; SCHEMBL12153965; NSC-174940; N,N'-Bis[methyl[4-chlorophenyl(thiocarbonyl)]amino]malonamide; Propanedioic acid, bis[2-[(4-chlorophenyl)thioxomethyl]-2-methylhydrazide]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174940	.	.	.	.	469.4	C19H18Cl2N4O2S2	129	569	4.1	29	2	4	4	"InChI=1S/C19H18Cl2N4O2S2/c1-24(18(28)12-3-7-14(20)8-4-12)22-16(26)11-17(27)23-25(2)19(29)13-5-9-15(21)10-6-13/h3-10H,11H2,1-2H3,(H,22,26)(H,23,27)"	CN(C(=S)C1=CC=C(C=C1)Cl)NC(=O)CC(=O)NN(C)C(=S)C2=CC=C(C=C2)Cl	LYWWILDQHVTJKY-UHFFFAOYSA-N
DG52045	"Propanedioic acid, bis[2-[(4-methoxyphenyl)thioxomethyl]-2-methylhydrazide]"	300473	"NSC174941; SCHEMBL10074989; ZINC1716100; NSC-174941; N,N'-Bis[methyl[4-methoxyphenyl(thiocarbonyl)]amino]malonamide; Propanedioic acid, bis[2-[(4-methoxyphenyl)thioxomethyl]-2-methylhydrazide]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174941	.	.	.	.	460.6	C21H24N4O4S2	147	593	2.8	31	2	6	6	"InChI=1S/C21H24N4O4S2/c1-24(20(30)14-5-9-16(28-3)10-6-14)22-18(26)13-19(27)23-25(2)21(31)15-7-11-17(29-4)12-8-15/h5-12H,13H2,1-4H3,(H,22,26)(H,23,27)"	CN(C(=S)C1=CC=C(C=C1)OC)NC(=O)CC(=O)NN(C)C(=S)C2=CC=C(C=C2)OC	VSOAZRNZKXYWDG-UHFFFAOYSA-N
DG52046	"4-(Dipropylamino)-3,5-dinitrobenzamide"	300481	"36317-95-0; 4-(dipropylamino)-3,5-dinitrobenzamide; NSC175074; CHEMBL310500; DTXSID40306290; AKOS032970873; NSC-175074; 3,5-Dinitro-4-(dipropylamino)benzamide; NCI60_001430"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175074	.	.	.	.	310.31	C13H18N4O5	138	390	3.3	22	1	6	6	"InChI=1S/C13H18N4O5/c1-3-5-15(6-4-2)12-10(16(19)20)7-9(13(14)18)8-11(12)17(21)22/h7-8H,3-6H2,1-2H3,(H2,14,18)"	CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)N)[N+](=O)[O-]	XFDXNBOTTKUHKE-UHFFFAOYSA-N
DG52047	[2-(Morpholin-4-ylmethyl)phenyl]methyl 4-bromobenzoate	300500	NSC175203; CHEMBL1968545; ZINC31720402; NSC-175203	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175203	.	.	.	.	390.3	C19H20BrNO3	38.8	392	3.4	24	0	4	6	"InChI=1S/C19H20BrNO3/c20-18-7-5-15(6-8-18)19(22)24-14-17-4-2-1-3-16(17)13-21-9-11-23-12-10-21/h1-8H,9-14H2"	C1COCCN1CC2=CC=CC=C2COC(=O)C3=CC=C(C=C3)Br	LLPCLDKDKJVBFA-UHFFFAOYSA-N
DG52048	6-Aminotoyocamycin	300567	"MLS002702064; 57071-61-1; 6-Aminotoyocamycin; NSC175630; Toyocamycin, 6-amino-; CHEMBL16288; DTXSID90306326; ZINC01716251; NSC-175630; SMR001565635"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175630	.	.	.	.	306.28	C12H14N6O4	177	472	-1.4	22	5	9	2	"InChI=1S/C12H14N6O4/c13-1-4-6-9(14)16-3-17-11(6)18(10(4)15)12-8(21)7(20)5(2-19)22-12/h3,5,7-8,12,19-21H,2,15H2,(H2,14,16,17)"	C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)N)C#N)N	GPEPWIICLLUDAS-UHFFFAOYSA-N
DG52049	"2-(2-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one"	300570	"MLS002702065; 13324-80-6; CHEMBL1580791; 2-(2-chlorophenyl)-2,3-dihydroquinazolin-4(1H)-one; F3098-8803; 2-(2-Chloro-phenyl)-2,3-dihydro-1H-quinazolin-4-one; SMR000014949; 2-(2-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one; NSC175633; Maybridge1_003456; Oprea1_103083; MLS000027113; HMS551F02; DTXSID50306327; DSHS 00663; HMS2366I05; BDBM50104299; MFCD00121790; STK917818; AKOS000538361; AKOS016313882; CCG-242476; MCULE-6218679491; NSC-175633; NCI60_001436; Z48978313; 1,2-Dihydro-2-(2-chlorophenyl)quinazoline-4(3H)-one; 2-(2-chlorophenyl)-1,2,3,4-tetrahydroquinazolin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175633	.	.	.	.	258.7	C14H11ClN2O	41.1	323	3.2	18	2	2	1	"InChI=1S/C14H11ClN2O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-8,13,16H,(H,17,18)"	C1=CC=C(C(=C1)C2NC3=CC=CC=C3C(=O)N2)Cl	YTAHHRUYKJSTCG-UHFFFAOYSA-N
DG52050	"2-(5-methylthiophen-2-yl)-2,3-dihydroquinazolin-4(1H)-one"	300571	"NSC175634; NCIMech_000245; Oprea1_248253; MLS000060389; CHEMBL1604106; SCHEMBL15648835; HMS2178O23; STL256878; AKOS005273248; MCULE-6204698671; NSC-175634; NCI60_001437; SMR000066006; SR-01000031175; SR-01000031175-1; Z48978200; 4(1H)-Quinazolinone,3-dihydro-2-(5-methyl-2-thienyl)-; 2-(5-methylthiophen-2-yl)-2,3-dihydroquinazolin-4(1H)-one; 2-(5-methylthiophen-2-yl)-1,2,3,4-tetrahydroquinazolin-4-one; 380209-42-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175634	.	.	.	.	244.31	C13H12N2OS	69.4	310	2.7	17	2	3	1	"InChI=1S/C13H12N2OS/c1-8-6-7-11(17-8)12-14-10-5-3-2-4-9(10)13(16)15-12/h2-7,12,14H,1H3,(H,15,16)"	CC1=CC=C(S1)C2NC3=CC=CC=C3C(=O)N2	SMZMLCNTHXBCBB-UHFFFAOYSA-N
DG52051	"2-(3-Benzyloxyphenyl)-1,2-dihydro-4(3H)-quinazolinone"	300572	"MLS002702066; CHEMBL1900376; NSC175635; Oprea1_379670; 2-(3-BENZYLOXYPHENYL)-1,2-DIHYDRO-4(3H)-QUINAZOLINONE; BDBM50104292; AKOS005273510; MCULE-8057383261; NSC-175635; 173555-78-7; NCI60_001438; SMR001565636; 2,3-Dihydro-2-(3'-benzyloxyphenyl)-4-quinazoline; 2-(3-(Benzyloxy)phenyl)-2,3-dihydroquinazolin-4(1H)-one; 4(1H)-Quinazolinone,3-dihydro-2-[3-(phenylmethoxy)phenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175635	.	.	.	.	330.4	C21H18N2O2	50.4	449	4	25	2	3	4	"InChI=1S/C21H18N2O2/c24-21-18-11-4-5-12-19(18)22-20(23-21)16-9-6-10-17(13-16)25-14-15-7-2-1-3-8-15/h1-13,20,22H,14H2,(H,23,24)"	C1=CC=C(C=C1)COC2=CC=CC(=C2)C3NC4=CC=CC=C4C(=O)N3	UFQXXOKTNXKMSO-UHFFFAOYSA-N
DG52052	"6-chloro-2-naphthalen-1-yl-2,3-dihydro-1H-quinazolin-4-one"	300573	"NSC175636; 34934-08-2; MLS002702067; 6-Chloro-2,3-dihydro-2-(1-naphthalenyl)-4(1H)-quinazolinone; 6-chloro-2-naphthalen-1-yl-2,3-dihydro-1H-quinazolin-4-one; NCIMech_000474; CHEMBL1717747; DTXSID10306328; EX-A5267; NSC-175636; NCI60_001439; SMR001565637"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175636	.	.	.	.	308.8	C18H13ClN2O	41.1	429	4.5	22	2	2	1	"InChI=1S/C18H13ClN2O/c19-12-8-9-16-15(10-12)18(22)21-17(20-16)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,17,20H,(H,21,22)"	C1=CC=C2C(=C1)C=CC=C2C3NC4=C(C=C(C=C4)Cl)C(=O)N3	ZGIFEPWYKKDPTK-UHFFFAOYSA-N
DG52053	"2-[4-(diethylamino)phenyl]-2,3-dihydroquinazolin-4(1H)-one"	300574	"MLS002702068; 2-[4-(diethylamino)phenyl]-2,3-dihydroquinazolin-4(1H)-one; NSC175637; Oprea1_042005; CHEMBL1734478; STK677116; AKOS005273300; MCULE-5885359382; NSC-175637; NCI60_001440; SMR001387037; SR-01000452119; SR-01000452119-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175637	.	.	.	.	295.4	C18H21N3O	44.4	375	3.4	22	2	3	4	"InChI=1S/C18H21N3O/c1-3-21(4-2)14-11-9-13(10-12-14)17-19-16-8-6-5-7-15(16)18(22)20-17/h5-12,17,19H,3-4H2,1-2H3,(H,20,22)"	CCN(CC)C1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2	HNXVXXIPESJDSF-UHFFFAOYSA-N
DG52054	"2-(2-Methoxynaphthalen-1-yl)-1,2,3,4-tetrahydroquinazolin-4-one"	300576	"MLS002702069; NSC175639; Oprea1_018551; CHEMBL1708022; AKOS001346503; AKOS016872276; MCULE-1717717987; NSC-175639; NCI60_001441; SMR001565638; Z48978380; 4(1H)-Naphthalenone,3-dihydro-2-(2-methoxy-1-naphthalenyl)-; 4(1H)-Quinazolinone,3-dihydro-2-(2-methoxy-1-naphthalenyl)-; 2-(2-methoxynaphthalen-1-yl)-1,2,3,4-tetrahydroquinazolin-4-one; 173555-77-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175639	.	.	.	.	304.3	C19H16N2O2	50.4	441	3.8	23	2	3	2	"InChI=1S/C19H16N2O2/c1-23-16-11-10-12-6-2-3-7-13(12)17(16)18-20-15-9-5-4-8-14(15)19(22)21-18/h2-11,18,20H,1H3,(H,21,22)"	COC1=C(C2=CC=CC=C2C=C1)C3NC4=CC=CC=C4C(=O)N3	YVJMAMMDKUHGQD-UHFFFAOYSA-N
DG52055	9-Chloroellipticine	300858	"9-Chloroellipticine; NSC176326; Ellipticine, 9-chloro-; Neuro_000101; CHEMBL71129; ZINC13281556; NSC-176326; NCI60_001452; 6H-Pyrido[4, 9-chloro-5,11-dimethyl-; 5,11-Dimethyl-9-chloro-6H-pyrido[4,3-b]carbazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176326	.	.	.	.	280.7	C17H13ClN2	28.7	374	5.4	20	1	1	0	"InChI=1S/C17H13ClN2/c1-9-14-8-19-6-5-12(14)10(2)17-16(9)13-7-11(18)3-4-15(13)20-17/h3-8,20H,1-2H3"	CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)Cl)C	FNYVRIAEQQSFQU-UHFFFAOYSA-N
DG52056	4-Bromo-2-[(cyclohexylimino)methyl]phenol	300886	"NSC176368; 78987-54-9; 4-bromo-2-[(cyclohexylimino)methyl]phenol; 4-bromo-2-(N-cyclohexylcarboximidoyl)phenol; CHEMBL1981576; DTXSID00419870; 4-bromo-6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one; STL026631; ZINC17004763; AKOS003409794; ZINC100236874; MCULE-5497660074; NSC-176368; NCI60_001456; DS-005294; 4-bromo-2-[(E)-(cyclohexylimino)methyl]phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176368	.	.	.	.	282.18	C13H16BrNO	32.6	238	3.6	16	1	2	2	"InChI=1S/C13H16BrNO/c14-11-6-7-13(16)10(8-11)9-15-12-4-2-1-3-5-12/h6-9,12,16H,1-5H2"	C1CCC(CC1)N=CC2=C(C=CC(=C2)Br)O	PFZHELSOOJVETI-UHFFFAOYSA-N
DG52057	"3-(2-Aminophenyl)sulfanyl-3-(2,6-dichlorophenyl)-1-phenylpropan-1-one"	300906	"60246-72-2; 3-(2-aminophenyl)sulfanyl-3-(2,6-dichlorophenyl)-1-phenylpropan-1-one; NSC176389; DTXSID30306441; MCULE-1739989134; NSC-176389; DS-008661; 1-PROPANONE,3-[(2-AMINOPHENYL)THIO]-3-(2,6-DICHLOROPHENYL)-1-PHENYL-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176389	.	.	.	.	402.3	C21H17Cl2NOS	68.4	447	5.9	26	1	3	6	"InChI=1S/C21H17Cl2NOS/c22-15-9-6-10-16(23)21(15)20(26-19-12-5-4-11-17(19)24)13-18(25)14-7-2-1-3-8-14/h1-12,20H,13,24H2"	C1=CC=C(C=C1)C(=O)CC(C2=C(C=CC=C2Cl)Cl)SC3=CC=CC=C3N	OENCHEBBVZSWKN-UHFFFAOYSA-N
DG52058	"Stannane, trimethyl[(4-morpholinylthioxomethyl)thio]-"	300936	"NSC176632; ZINC195774085; NSC-176632; NCI60_001464; Stannane, trimethyl[(4-morpholinylthioxomethyl)thio]-; 35777-92-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176632	.	.	.	.	326.1	C8H17NOS2Sn	69.9	187	.	13	0	3	2	"InChI=1S/C5H9NOS2.3CH3.Sn/c8-5(9)6-1-3-7-4-2-6;;;;/h1-4H2,(H,8,9);3*1H3;/q;;;;+1/p-1"	C[Sn](C)(C)SC(=S)N1CCOCC1	BPWWYWORPYMYIC-UHFFFAOYSA-M
DG52059	Versimide	301117	"VERSIMIDE; NSC177377; CHEMBL1983472; KHFBUINXBGUEQW-UHFFFAOYSA-; methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)prop-2-enoate; NSC-177377; NCI60_001480; methyl alpha-(methyl-succinimido)-acrylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	177377	.	.	.	.	197.19	C9H11NO4	63.7	321	0.3	14	0	4	3	"InChI=1S/C9H11NO4/c1-5-4-7(11)10(8(5)12)6(2)9(13)14-3/h5H,2,4H2,1,3H3"	CC1CC(=O)N(C1=O)C(=C)C(=O)OC	KHFBUINXBGUEQW-UHFFFAOYSA-N
DG52060	"2-Bromo-1-[11-(2-bromoacetyl)-7,14,15-trithia-3,11-diazadispiro[5.1.5^{8}.2^{6}]pentadecan-3-yl]ethanone"	301256	"NSC177845; CHEMBL1993520; ZINC5190740; NSC-177845; 2-bromo-1-[11-(2-bromoacetyl)-7,14,15-trithia-3,11-diazadispiro[5.1.5^{8}.2^{6}]pentadecan-3-yl]ethanone; {7,14,15-Trithia-3,11-diazadispiro[5.1.5.2]pentadecane,} 3, 11-bis(bromoacetyl)-; 3,11-Bis(bromoacetyl)-7,14,15-trithia-3,11-diazadispiro[5.1.5.2]pentadecane; 7,15-Trithia-3,11-diazadispiro[5.1.5.2]pentadecane, 3,11-bis(bromoacetyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	177845	.	.	.	.	504.3	C14H20Br2N2O2S3	117	437	2.8	23	0	5	2	InChI=1S/C14H20Br2N2O2S3/c15-9-11(19)17-5-1-13(2-6-17)21-14(23-22-13)3-7-18(8-4-14)12(20)10-16/h1-10H2	C1CN(CCC12SC3(CCN(CC3)C(=O)CBr)SS2)C(=O)CBr	CKAKUWCYKQVESI-UHFFFAOYSA-N
DG52061	"ethyl 6,8-dimethyl-4,5-dihydro-2H-pyrrolo[2,3-g]indazole-7-carboxylate"	301367	"NSC178002; CHEMBL1996824; ZINC17005639; NSC-178002; NCI60_001496; Pyrrolo[2, 2,4,5,6-tetrahydro-6,8-dimethyl-, ethyl ester; Ethyl 6,8-dimethyl-2,4,5,6-tetrahydropyrrolo[2,3-g]indazole-7-carboxylate; ethyl 6,8-dimethyl-4,5-dihydro-2H-pyrrolo[2,3-g]indazole-7-carboxylate; {Pyrrolo[2,3-g]indazole-7-carboxylic} acid, 2,4,5,6-tetrahydro-6, 8-dimethyl-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	178002	.	.	.	.	259.3	C14H17N3O2	59.9	363	1.9	19	1	3	3	"InChI=1S/C14H17N3O2/c1-4-19-14(18)13-8(2)11-10(17(13)3)6-5-9-7-15-16-12(9)11/h7H,4-6H2,1-3H3,(H,15,16)"	CCOC(=O)C1=C(C2=C(N1C)CCC3=C2NN=C3)C	WOCBKWVOZPLPPG-UHFFFAOYSA-N
DG52062	"5-Chloro-8-hydroxynaphthalene-1,4-dione"	301371	"5-chloro-8-hydroxynaphthalene-1,4-dione; 52431-59-1; NSC178010; NAPHTHALENEDIONE, 5-CHLORO-8-HYDROXY-; 1, 5-chloro-8-hydroxy-; CHEMBL362506; SCHEMBL17265619; DTXSID70306642; ZINC1725263; NSC-178010; 5-Chloro-8-hydroxy-[1,4]naphthoquinone; NCI60_001497; 5-chloro-8-hydroxy-naphthalene-1,4-dione; DS-001514"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	178010	.	.	.	.	208.6	C10H5ClO3	54.4	311	2.3	14	1	3	0	"InChI=1S/C10H5ClO3/c11-5-1-2-7(13)10-8(14)4-3-6(12)9(5)10/h1-4,13H"	C1=CC(=C2C(=O)C=CC(=O)C2=C1O)Cl	GJLFRAOUTIXEIN-UHFFFAOYSA-N
DG52063	L-Chlorozotocin	301389	"L-Chlorozotocin; DCNU; NSC 178248; CHEMBL363082; CHLZ; NSC291322; NCI-178248; 1-(2-chloroethyl)-1-nitroso-3-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)urea; 54749-90-5; NSC178248; D-Glucopyranose, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-2-deoxy-; D-Glucopyranose, 2-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-2-deoxy-; 1-(2-Chloroethyl)-3-(D-glucopyranos-2-yl)-1-nitrosourea; Chlorozotocine; 2-(3-(2-Chloroethyl)-3-nitrosoureido)-2-deoxy-D-glucosopyranose; 2-((((2-Chloroethyl)nitrosoamino)carbonyl)amino)-2-deoxy-D-glucose; D-Glucose, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-2-deoxy-; Glucopyranose, 2-deoxy-2-(3-(2-chloroethyl)-3-nitrosoureido)-, D-; D-Glucose, 2-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-2-deoxy-; BDBM50154463; L-Glucose, 2-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-2-deoxy-; NSC-291322; NCI60_001500; N-(2-chloroethyl)-N''''-(1-formyl-2,3,4,5-tetrahydroxypentyl)-N-nitrosourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	178248	.	.	.	.	313.69	C9H16ClN3O7	160	333	-2.6	20	5	8	8	"InChI=1S/C9H16ClN3O7/c10-1-2-13(12-20)9(19)11-5(3-14)7(17)8(18)6(16)4-15/h3,5-8,15-18H,1-2,4H2,(H,11,19)"	C(CCl)N(C(=O)NC(C=O)C(C(C(CO)O)O)O)N=O	MKQWTWSXVILIKJ-UHFFFAOYSA-N
DG52064	"(3,8,9-Triacetyloxybenzo[c]phenanthridin-2-yl) acetate"	301457	"54785-18-1; NSC179201; (3,8,9-triacetyloxybenzo[c]phenanthridin-2-yl) acetate; DTXSID40306674; NSC-179201"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	179201	.	.	.	.	461.4	C25H19NO8	118	815	3.7	34	0	9	8	"InChI=1S/C25H19NO8/c1-12(27)31-21-7-16-5-6-18-19-9-23(33-14(3)29)22(32-13(2)28)8-17(19)11-26-25(18)20(16)10-24(21)34-15(4)30/h5-11H,1-4H3"	CC(=O)OC1=C(C=C2C(=C1)C=CC3=C2N=CC4=CC(=C(C=C34)OC(=O)C)OC(=O)C)OC(=O)C	PSZGYLBXZNOKSU-UHFFFAOYSA-N
DG52065	Withanolide E	301751	"WITHANOLIDE E; 38254-15-8; NSC179834; SCHEMBL2231888; CHEMBL1097107; DTXSID10959191; BDBM50437341; NSC-179834; 14,17,20-Trihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione; Ergosta-2, 5,6-epoxy-14,17,20,22-tetrahydroxy-1-oxo-, .gamma.-lactone; Ergosta-2, 5,6-epoxy-14,17,20,22-tetrahydroxy-1-oxo-, .gamma.-lactone, (5.beta.,6.beta.,17.alpha.,22R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	179834	.	.	.	.	486.6	C28H38O7	117	1090	1.7	35	3	7	2	"InChI=1S/C28H38O7/c1-15-13-20(34-22(30)16(15)2)25(5,31)28(33)12-11-26(32)18-14-21-27(35-21)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,31-33H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27+,28-/m0/s1"	CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@@]2(CC[C@@]3([C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=CC6)C)O5)C)O)O)O)C	RUVPNJSJTWTANE-LFCBYZEKSA-N
DG52066	"[1-(2-Hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]imino-oxidoazanium"	301772	"7171-68-8; 1H-Pyrazole-1-ethanol,4'-azoxybis(3,5-dimethyl-; 1H-Pyrazole-1-ethanol,4'-azoxybis[3,5-dimethyl-; NSC179945; DTXSID40306811; ZINC104154549; NSC-179945; [1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]imino-oxidoazanium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	179945	.	.	.	.	322.36	C14H22N6O3	117	423	-0.1	23	2	6	6	"InChI=1S/C14H22N6O3/c1-9-13(11(3)18(15-9)5-7-21)17-20(23)14-10(2)16-19(6-8-22)12(14)4/h21-22H,5-8H2,1-4H3"	CC1=C(C(=NN1CCO)C)N=[N+](C2=C(N(N=C2C)CCO)C)[O-]	PJVSLEAQHXBIJR-UHFFFAOYSA-N
DG52067	Trigilletine	301935	"Trigilletine; NSC181486; MLS000756410; SMR000528718; NSC626656; NSC-181486; CHEMBL1488591; HMS2270J11; NCI60_001516; 6,12'-Dimethoxy-2-methyl-6',7-epoxyoxyacanthan; SR-01000778728; SR-01000778728-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	181486	.	.	.	.	562.7	C35H34N2O5	61.4	929	5.9	42	1	7	2	"InChI=1S/C35H34N2O5/c1-37-13-11-23-18-32(39-3)34-35-33(23)27(37)15-20-4-7-24(8-5-20)40-29-16-21(6-9-28(29)38-2)14-26-25-19-31(42-35)30(41-34)17-22(25)10-12-36-26/h4-9,16-19,26-27,36H,10-15H2,1-3H3"	CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CCN7)O4)OC)OC	DJAWTLHBPPQMPV-UHFFFAOYSA-N
DG52068	"9-(4,5-Dihydroxy-6-methyloxan-2-yl)-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione"	302071	"NSC184398; Aquaymycin; CHEMBL1996599; DTXSID40948932; 9-(Tetrahydro-4',5'-dihydroxy-6'-methyl-2'H-pyran-2'-yl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methyl-benz(a)anthracene-1,7,12(2H)-trione; BS-1171; NSC-184398; 9-(4,5-dihydroxy-6-methyloxan-2-yl)-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione; NCI60_001534; 1,5-Anhydro-2,6-dideoxy-1-(3,4a,8,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydrotetraphen-9-yl)hexitol; 1,5-Anhydro-2,6-didesoxy-1-(3,4a,8,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octah"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	184398	.	.	.	.	486.5	C25H26O10	182	1050	-1.2	35	6	10	1	"InChI=1S/C25H26O10/c1-10-19(28)14(26)7-15(35-10)11-3-4-12-17(20(11)29)21(30)13-5-6-24(33)9-23(2,32)8-16(27)25(24,34)18(13)22(12)31/h3-6,10,14-15,19,26,28-29,32-34H,7-9H2,1-2H3"	CC1C(C(CC(O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C=CC5(C4(C(=O)CC(C5)(C)O)O)O)O)O)O	KCOULPRVOZDQEL-UHFFFAOYSA-N
DG52069	"6-Chlorotetrazolo[1,5-b]pyridazine"	302231	"6-Chlorotetrazolo[1,5-b]pyridazine; 21413-15-0; 6-Chloro-[1,2,3,4]tetrazolo[1,5-b]pyridazine; Tetrazolo[1,5-b]pyridazine, 6-chloro-; 6-Chlorotetrazolo[4,5-b]pyridazine; MFCD00462761; Tetrazolo[1,5-b]pyridazine,6-chloro-; NSC185169; 6-Chloro-tetrazolo[1,5-b]pyridazine; Tetrazolo[1, 6-chloro-; SCHEMBL11783762; DTXSID00307001; ALBB-032486; WAA41315; ZINC1435441; 6-Chlorotetrazolo[1.5--b]pyridazin; BBL028654; STK042017; AKOS001275913; MCULE-5859342356; NSC-185169; 6-Chlorotetraazolo[1,5-b]pyridazine #; Tetrazolo[1,5-b]pyridazine, 6-cloro-; DA-36201; VS-08890; EU-0084426; FT-0728942; V4339; EN300-24776; A903011; J-518667; F1967-1754; W41"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	185169	.	.	.	.	155.54	C4H2ClN5	56	131	0.8	10	0	4	0	InChI=1S/C4H2ClN5/c5-3-1-2-4-6-8-9-10(4)7-3/h1-2H	C1=CC(=NN2C1=NN=N2)Cl	RRBQGBYFXZPPAH-UHFFFAOYSA-N
DG52070	NSC221659	302371	"(7S)-1,2,3-trimethoxy-10-methylsulfanyl-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one; 66568-82-9; NSC221659; DTXSID00985166; NSC186308; NSC-186308; NSC-221659; Benzo[a]heptalen-9(5H)-one,7-dihydro-7-(.beta.-D-mannopyranosylamino)-1,2,3-trimethoxy-10-(methylthio)-, (S)-; N-[1,2,3-Trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]hexopyranosylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	221659	.	.	.	.	535.6	C26H33NO9S	172	924	-0.2	37	5	11	7	"InChI=1S/C26H33NO9S/c1-33-17-9-12-5-7-15(27-26-23(32)22(31)21(30)18(11-28)36-26)14-10-16(29)19(37-4)8-6-13(14)20(12)25(35-3)24(17)34-2/h6,8-10,15,18,21-23,26-28,30-32H,5,7,11H2,1-4H3/t15-,18 ,21 ,22 ,23 ,26 /m0/s1"	COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC4C(C(C(C(O4)CO)O)O)O)OC)OC	ACIAPWKOTHFOAA-XQMHFWANSA-N
DG52071	(5-Nitro-2-phenylphenyl)arsonic acid	302501	MLS000756422; SMR000528721; NSC187675; (5-nitro-2-phenylphenyl)arsonic acid; cid_302501; CHEMBL1573007; ANTINEOPLASTIC-187675; BDBM52007; HMS2886D08; (5-nitro-2-phenyl-phenyl)arsonic acid; NSC-187675	.	.	Investigative Drug(s)	Investigative	Small molecular drug	187675	.	.	.	.	323.13	C12H10AsNO5	103	371	.	19	2	5	2	"InChI=1S/C12H10AsNO5/c15-13(16,17)12-8-10(14(18)19)6-7-11(12)9-4-2-1-3-5-9/h1-8H,(H2,15,16,17)"	C1=CC=C(C=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[As](=O)(O)O	CCGNSPSMYWVAMG-UHFFFAOYSA-N
DG52072	SMA-491 (free base of NSC D742838)	302576	"NSC188491; NSC-188491; CHEMBL1974671; SCHEMBL12284814; NCI60_001569; SMA-491 (free base of NSC D742838); {7H-Pyrrolo[2,3-d]pyrimidine-5-carboxamide,} 4-amino-6-hydrazino-7--D-ribofuranosyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	188491	.	.	.	.	339.31	C12H17N7O5	208	485	-2.3	24	7	10	4	"InChI=1S/C12H17N7O5/c13-8-4-5(9(14)23)11(18-15)19(10(4)17-2-16-8)12-7(22)6(21)3(1-20)24-12/h2-3,6-7,12,18,20-22H,1,15H2,(H2,14,23)(H2,13,16,17)"	C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)NN)C(=O)N)N	XCAQHWQRKUEFKS-UHFFFAOYSA-N
DG52073	"(5-Acetyl-6,11-dimethyl-8-oxo-7-oxatetracyclo[8.8.0.02,6.011,16]octadec-4-en-14-yl) acetate"	303610	"MLS003107001; NSC192737; SMR001821882; cid_303610; CHEMBL1883309; BDBM93523; (acetyl-dimethyl-oxo-[ ]yl) acetate; NSC-192737; 4-Acetyl-3a,12a-dimethyl-2-oxo-1,3a,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-tetradecahydro-2H-cyclopenta[b]naphtho[2,1-d]oxepin-10-yl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	192737	.	.	.	.	388.5	C23H32O5	69.7	739	3.5	28	0	5	3	"InChI=1S/C23H32O5/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)20(17)12-21(26)28-23(18,19)4/h7,15-17,19-20H,5-6,8-12H2,1-4H3"	CC(=O)C1=CCC2C1(OC(=O)CC3C2CCC4C3(CCC(C4)OC(=O)C)C)C	RZDJJWQUCPCDTP-UHFFFAOYSA-N
DG52074	Tetradecanoic acid--4-O-hexopyranosylhexose (1/1)	303617	51801-27-5; NSC192744; CHEMBL2004283; DTXSID60307567; NSC-192744; Tetradecanoic acid--4-O-hexopyranosylhexose (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	192744	.	.	.	.	570.7	C26H50O13	235	522	.	39	9	13	20	"InChI=1S/C14H28O2.C12H22O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h2-13H2,1H3,(H,15,16);1,4-12,14-21H,2-3H2"	CCCCCCCCCCCCCC(=O)O.C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O	YQWORSHOGLRIKL-UHFFFAOYSA-N
DG52075	2-(methylamino)-N-((4-methylphenyl)sulfonyl)ethanimidoyl chloride	303792	NSC193457; NCIStruc1_000709; NCIStruc2_001790; ZINC8034772; ZINC13099144; NCI60_001616; 2-(methylamino)-N-((4-methylphenyl)sulfonyl)ethanimidoyl chloride; N-[1-Chloro-2-(methylamino)ethylidene]-4-methylbenzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	193457	.	.	.	.	260.74	C10H13ClN2O2S	66.9	340	2.1	16	1	4	4	"InChI=1S/C10H13ClN2O2S/c1-8-3-5-9(6-4-8)16(14,15)13-10(11)7-12-2/h3-6,12H,7H2,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)N=C(CNC)Cl	KPTLQKCMVDTPPR-UHFFFAOYSA-N
DG52076	1-(3-Benzyl-2-ethylimidazol-4-yl)-1-phenylethanol	304284	NSC195922; CHEMBL1987777; NSC-195922	.	.	Investigative Drug(s)	Investigative	Small molecular drug	195922	.	.	.	.	306.4	C20H22N2O	38	363	3.5	23	1	2	5	"InChI=1S/C20H22N2O/c1-3-19-21-14-18(20(2,23)17-12-8-5-9-13-17)22(19)15-16-10-6-4-7-11-16/h4-14,23H,3,15H2,1-2H3"	CCC1=NC=C(N1CC2=CC=CC=C2)C(C)(C3=CC=CC=C3)O	MGJWEHDRICUGFI-UHFFFAOYSA-N
DG52077	"Dimethyl 4-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate"	304499	"18064-04-5; dimethyl 1-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate; DIMETHYL 1-METHYL-7-OXABICYCLO(2.2.1)HEPTA-2,5-DIENE-2,3-DICARBOXYLATE; NSC196593; CHEMBL1997050; SCHEMBL13998257; DTXSID80307923; AKOS024406066; dimethyl 4-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate; MCULE-2673062915; NSC-196593; 1-Methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	196593	.	.	.	.	224.21	C11H12O5	61.8	420	0.3	16	0	5	4	"InChI=1S/C11H12O5/c1-11-5-4-6(16-11)7(9(12)14-2)8(11)10(13)15-3/h4-6H,1-3H3"	CC12C=CC(O1)C(=C2C(=O)OC)C(=O)OC	YMLYGZRGLAHWMQ-UHFFFAOYSA-N
DG52078	"Cytosine, 1beta-D-arabinofuranosyl-N(sup 4)-stearoyl-"	304673	"55726-44-8; NSC201290; CHEMBL2001204; SCHEMBL20809913; DTXSID70971096; NSC-201290; NCI60_001669; Octadecanamide,2-dihydro-2-oxo-4-pyrimidinyl)-; Cytosine, 1.beta.-D-arabinofuranosyl-N(sup 4)-stearoyl-; 4-(Octadecanoylimino)-1-pentofuranosyl-1,4-dihydropyrimidin-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201290	.	.	.	.	509.7	C27H47N3O6	132	714	7.1	36	4	6	19	"InChI=1S/C27H47N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(32)28-22-18-19-30(27(35)29-22)26-25(34)24(33)21(20-31)36-26/h18-19,21,24-26,31,33-34H,2-17,20H2,1H3,(H,28,29,32,35)"	CCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O	ATYCGJJMRABBKG-UHFFFAOYSA-N
DG52079	Ethyl 4-[[4-amino-5-(4-bromobenzoyl)-3-cyanothiophen-2-yl]amino]benzoate	304896	NSC201618; ZINC1735459; NSC-201618	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201618	.	.	.	.	470.3	C21H16BrN3O3S	133	638	6.2	29	2	7	7	"InChI=1S/C21H16BrN3O3S/c1-2-28-21(27)13-5-9-15(10-6-13)25-20-16(11-23)17(24)19(29-20)18(26)12-3-7-14(22)8-4-12/h3-10,25H,2,24H2,1H3"	CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Br)N)C#N	HKWFRRXKDSRFBN-UHFFFAOYSA-N
DG52080	Ethyl 4-[[4-amino-3-cyano-5-(3-nitrobenzoyl)thiophen-2-yl]amino]benzoate	304907	MLS000756445; NSC201631; CHEMBL1600403; HMS2886K03; ZINC1735469; NSC-201631; SMR000528737	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201631	.	.	.	.	436.4	C21H16N4O5S	179	727	5.3	31	2	9	7	"InChI=1S/C21H16N4O5S/c1-2-30-21(27)12-6-8-14(9-7-12)24-20-16(11-22)17(23)19(31-20)18(26)13-4-3-5-15(10-13)25(28)29/h3-10,24H,2,23H2,1H3"	CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])N)C#N	BBMXMYSEICDMIK-UHFFFAOYSA-N
DG52081	"(1,3-Dioxobenzo[de]isoquinolin-2-yl) acetate"	304928	"(1,3-dioxobenzo[de]isoquinolin-2-yl) acetate; NSC201656; 100873-54-9; 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl acetate; 2-(Acetyloxy)-1H-benzo[de]isoquinoline-1,3(2H)-dione; Maybridge1_005792; Oprea1_635519; DivK1c_002080; SCHEMBL2959934; CHEMBL1998725; HMS557P06; ZINC70522; STK236135; AKOS003614386; CCG-252260; MCULE-9106551403; NSC-201656; CDS1_001040; NCI60_001681; F1467-0861; ACETIC ACID 1,3-DIOXO-1H,3H-BENZO(DE)ISOQUINOLIN-2-YL ESTER"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201656	.	.	.	.	255.22	C14H9NO4	63.7	403	2.2	19	0	4	2	"InChI=1S/C14H9NO4/c1-8(16)19-15-13(17)10-6-2-4-9-5-3-7-11(12(9)10)14(15)18/h2-7H,1H3"	CC(=O)ON1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O	AATRCBPAUJCECJ-UHFFFAOYSA-N
DG52082	4-Bromo-2-({[3-(trifluoromethyl)phenyl]imino}methyl)phenol	305092	"4-bromo-2-({[3-(trifluoromethyl)phenyl]imino}methyl)phenol; 75854-21-6; NSC201835; 4-bromo-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol; CHEMBL1976765; SCHEMBL11413664; DTXSID10420775; MFCD00115299; ZINC17023273; ZINC100315290; ZINC257351927; NSC-201835; NCI60_001685; DS-012221; PHENOL,4-BROMO-2-[[[3-(TRIFLUOROMETHYL)PHENYL]IMINO]METHYL]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201835	.	.	.	.	344.13	C14H9BrF3NO	32.6	348	4.4	20	1	5	2	"InChI=1S/C14H9BrF3NO/c15-11-4-5-13(20)9(6-11)8-19-12-3-1-2-10(7-12)14(16,17)18/h1-8,20H"	C1=CC(=CC(=C1)N=CC2=C(C=CC(=C2)Br)O)C(F)(F)F	HZEUNSTWVBILMM-UHFFFAOYSA-N
DG52083	"N-[1-(Biphenyl-4-yl)ethyl]-3,4-dichlorobenzamide"	305114	"NSC201863; MLS000756451; NSC-201863; CHEMBL1478493; SCHEMBL10013613; DTXSID30308066; HMS2886J13; 906509-55-5; NCI60_001686; SMR000528739; N-[1-(Biphenyl-4-yl)ethyl]-3,4-dichlorobenzamide; N-(1-[1,1'-biphenyl]-4-ylethyl)-3,4-dichlorobenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201863	.	.	.	.	370.3	C21H17Cl2NO	29.1	430	6	25	1	1	4	"InChI=1S/C21H17Cl2NO/c1-14(24-21(25)18-11-12-19(22)20(23)13-18)15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-14H,1H3,(H,24,25)"	CC(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl	FBKXMUJLHIWBRY-UHFFFAOYSA-N
DG52084	"9(10H)-anthracenone (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone"	305123	"NSC201873; NSC-201873; NCIStruc1_001957; NCIStruc2_001384; CHEMBL1608097; ZINC3954495; CCG-36921; NCGC00014555; NCI201873; NCGC00014555-02; NCGC00097659-01; NCI60_001688; 9(10H)-anthracenone (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201873	.	.	.	.	374.3	C20H14N4O4	116	605	5.7	28	1	6	2	"InChI=1S/C20H14N4O4/c25-23(26)15-9-10-18(19(12-15)24(27)28)21-22-20-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)20/h1-10,12,21H,11H2"	C1C2=CC=CC=C2C(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C41	IURNRMYJBRECDR-UHFFFAOYSA-N
DG52085	"2-Propynoic acid,4-diyl ester"	305546	"NSC202554; 2-Propynoic acid,4-diyl ester; CHEMBL1993061; ZINC5328497; NSC-202554; NCI60_001701; Dipropargylic acid 2-butyne-1,4-diyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	202554	.	.	.	.	190.15	C10H6O4	52.6	351	1	14	0	4	4	"InChI=1S/C10H6O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h1-2H,7-8H2"	C#CC(=O)OCC#CCOC(=O)C#C	NYTVPHFBPXCEFK-UHFFFAOYSA-N
DG52086	1-[5-(5-Acetylthiophen-2-yl)thiophen-2-yl]ethanone	305890	"18494-73-0; 5,5'-Diacetyl-2,2'-bithienyl; 5,5'-Diacetyl-2,2'-bithiophene; 1-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]ethanone; 1-[5-(5-Acetyl-2-thienyl)-2-thienyl]ethanone; 1,1'-([2,2'-Bithiophene]-5,5'-diyl)diethanone; 5,5/'-DIACETYL-2,2/'-BITHIENYL; 1,1'-(2,2'-BITHIOPHENE-5,5'-DIYL)DIETHANONE; NSC203017; 2,2'-Bi(5-acetylthiophene); SCHEMBL1356959; CHEMBL2002489; DTXSID30308304; ZINC1737434; MFCD00447520; 5,5-DIACETYL-2,2-BITHIENYL; AKOS001027585; MCULE-2360227988; NSC-203017; NCI60_001707; FT-0619765; 1-(5'-acetyl-2,2'-bithiophene-5-yl)ethanone; A903666; W-200183; 1-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]ethan-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	203017	.	.	.	.	250.3	C12H10O2S2	90.6	273	3	16	0	4	3	"InChI=1S/C12H10O2S2/c1-7(13)9-3-5-11(15-9)12-6-4-10(16-12)8(2)14/h3-6H,1-2H3"	CC(=O)C1=CC=C(S1)C2=CC=C(S2)C(=O)C	DZBDNNDXPKNUGF-UHFFFAOYSA-N
DG52087	"N,N'-Bis(3-nitrophenyl)isophthalamide"	306548	"MLS000756466; SMR000528745; N1,N3-bis(3-nitrophenyl)benzene-1,3-dicarboxamide; N,3-dicarboxamide; NSC204232; N,N'-Bis(3-nitrophenyl)isophthalamide; Oprea1_875604; CBDivE_001583; 1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide; cid_306548; CHEMBL1405763; SCHEMBL18300094; BDBM55887; ZINC1738764; STK260397; AKOS003266041; MCULE-4742958038; NSC-204232; N,N''-bis(3-nitrophenyl)isophthalamide; N~1~,N~3~-bis(3-nitrophenyl)isophthalamide; N,N'-bis(3-nitrophenyl)benzene-1,3-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	204232	.	.	.	.	406.3	C20H14N4O6	150	607	3.2	30	2	6	4	"InChI=1S/C20H14N4O6/c25-19(21-15-6-2-8-17(11-15)23(27)28)13-4-1-5-14(10-13)20(26)22-16-7-3-9-18(12-16)24(29)30/h1-12H,(H,21,25)(H,22,26)"	C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]	XNLJYGLAIAFHNG-UHFFFAOYSA-N
DG52088	1-(2-Fluorophenyl)-3-(4-sulfamoylphenyl)urea	306968	NSC204667; 1-(2-fluorophenyl)-3-(4-sulfamoylphenyl)urea; 76393-36-7; 4-(((2-fluoroanilino)carbonyl)amino)benzenesulfonamide; NSC-204667; NCIStruc1_001991; NCIStruc2_001358; SCHEMBL672763; CHEMBL1334282; DTXSID10308509; ZINC1739735; CCG-36865; NCGC00014565; NCI204667; NCGC00014565-02; NCGC00097669-01; NCI60_001716	.	.	Investigative Drug(s)	Investigative	Small molecular drug	204667	.	.	.	.	309.32	C13H12FN3O3S	110	458	0.9	21	3	5	3	"InChI=1S/C13H12FN3O3S/c14-11-3-1-2-4-12(11)17-13(18)16-9-5-7-10(8-6-9)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)"	C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)F	OWWHFDSAOSYTOX-UHFFFAOYSA-N
DG52089	"5-Iodo-1-methyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione"	307241	"5-iodo-1-methyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione; 77547-09-2; NSC205098; DTXSID80308591; NSC-205098; Spiro(furan-2(5H),5-dione, 3,4-dihydro-5'-iodo-1'-methyl-4-methylene-; Spiro[furan-2(5H),5(1'H)-dione, 3,4-dihydro-5'-iodo-1'-methyl-4-methylene-; 5-Iodo-1-methyl-4'-methylene-3',4'-dihydrospiro[1H-indole-3(2H),2'(5'H)-furan]-2,5'-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	205098	.	.	.	.	355.13	C13H10INO3	46.6	450	2.1	18	0	3	0	"InChI=1S/C13H10INO3/c1-7-6-13(18-11(7)16)9-5-8(14)3-4-10(9)15(2)12(13)17/h3-5H,1,6H2,2H3"	CN1C2=C(C=C(C=C2)I)C3(C1=O)CC(=C)C(=O)O3	VLWABQVGEIURBF-UHFFFAOYSA-N
DG52090	"5'-Chloro-2,3-dibromo-2'-methoxysuccinanilic acid"	307450	"NSC205555; SCHEMBL7825225; AKOS024431862; MCULE-1771659774; NSC-205555; 5'-chloro-2,3-dibromo-2'-methoxysuccinanilic acid; Butanoic acid,3-dibromo-4-[(5-chloro-2-methoxyphenyl)amino]-4-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	205555	.	.	.	.	415.46	C11H10Br2ClNO4	75.6	345	2.9	19	2	4	5	"InChI=1S/C11H10Br2ClNO4/c1-19-7-3-2-5(14)4-6(7)15-10(16)8(12)9(13)11(17)18/h2-4,8-9H,1H3,(H,15,16)(H,17,18)"	COC1=C(C=C(C=C1)Cl)NC(=O)C(C(C(=O)O)Br)Br	NJKZXOAMAFIPOQ-UHFFFAOYSA-N
DG52091	"Ethyl 4-(1,3-thiazol-2-ylcarbamoylamino)benzoate"	307683	"69123-45-1; ethyl 4-(1,3-thiazol-2-ylcarbamoylamino)benzoate; NSC205795; CHEMBL3230515; DTXSID80308632; ZINC1741768; NSC-205795"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	205795	.	.	.	.	291.33	C13H13N3O3S	109	346	2.1	20	2	5	5	"InChI=1S/C13H13N3O3S/c1-2-19-11(17)9-3-5-10(6-4-9)15-12(18)16-13-14-7-8-20-13/h3-8H,2H2,1H3,(H2,14,15,16,18)"	CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NC=CS2	OMEMETVMVIWGLI-UHFFFAOYSA-N
DG52092	"N-(4-chlorobenzyl)-N'-(2,5-dimethylphenyl)urea"	307746	"NSC205862; NSC-205862; NCIStruc1_000791; NCIStruc2_001624; CHEMBL1408954; ZINC1741847; CCG-36825; NCGC00014572; NCI205862; NCGC00014572-02; NCGC00097676-01; NCI60_001733; N-(4-chlorobenzyl)-N'-(2,5-dimethylphenyl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	205862	.	.	.	.	288.77	C16H17ClN2O	41.1	316	3.4	20	2	1	3	"InChI=1S/C16H17ClN2O/c1-11-3-4-12(2)15(9-11)19-16(20)18-10-13-5-7-14(17)8-6-13/h3-9H,10H2,1-2H3,(H2,18,19,20)"	CC1=CC(=C(C=C1)C)NC(=O)NCC2=CC=C(C=C2)Cl	VNBHOFZERQXOFW-UHFFFAOYSA-N
DG52093	2-(4-Chlorophenoxy)-1-methyl-imidazole	307940	NSC206381; CHEMBL2000373; ZINC11535808; NSC-206381; 2-(4-chlorophenoxy)-1-methyl-imidazole; 2-(4-Chlorophenoxy)-1-methyl-1H-imidazole; 4-Chlorophenyl 1-methyl-1H-imidazol-2-yl ether	.	.	Investigative Drug(s)	Investigative	Small molecular drug	206381	.	.	.	.	208.64	C10H9ClN2O	27	183	2.5	14	0	2	2	"InChI=1S/C10H9ClN2O/c1-13-7-6-12-10(13)14-9-4-2-8(11)3-5-9/h2-7H,1H3"	CN1C=CN=C1OC2=CC=C(C=C2)Cl	GXJDXJRXOIVZJN-UHFFFAOYSA-N
DG52094	Lymphosarcin	308111	"LYMPHOSARCIN; 52128-43-5; UNII-J5KX9DC6DM; J5KX9DC6DM; 5-chloro-6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine; CHEMBL172345; SCHEMBL11141619; DTXSID10208055; NSC208652; NSC 208652; NSC-208652; 59318-71-7; NCI60_001742; PD 075197; PD-075197; 5-CHLORO-6-[[(3,4-QUINOZOLINEDIAMINE; 2, 5-chloro-6-[[(3,4-dichlorophenyl)amino]methyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	208652	.	.	.	.	368.6	C15H12Cl3N5	89.8	401	4.2	23	3	5	3	"InChI=1S/C15H12Cl3N5/c16-9-3-2-8(5-10(9)17)21-6-7-1-4-11-12(13(7)18)14(19)23-15(20)22-11/h1-5,21H,6H2,(H4,19,20,22,23)"	C1=CC(=C(C=C1NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl)Cl)Cl	KBKJXVMKCWBZLB-UHFFFAOYSA-N
DG52095	"Methyl 4-(3-methoxyphenyl)-2,4-dioxobutanoate"	308120	"methyl 4-(3-methoxyphenyl)-2,4-dioxobutanoate; 501653-39-0; Methyl 3-methoxy-a,g-dioxo-benzenebutanoate; NSC208706; CHEMBL2007344; SCHEMBL20239513; BVA65339; MFCD04967394; STK312947; AKOS000267056; ZINC100767131; AS-6548; MCULE-1127049764; NSC-208706; NCI60_001743; CS-0230554; F2161-0042; 4-(3-Methoxy-phenyl)-2,4-dioxo-butyric acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	208706	.	.	.	.	236.22	C12H12O5	69.7	310	1.5	17	0	5	6	"InChI=1S/C12H12O5/c1-16-9-5-3-4-8(6-9)10(13)7-11(14)12(15)17-2/h3-6H,7H2,1-2H3"	COC1=CC=CC(=C1)C(=O)CC(=O)C(=O)OC	WFBPPBRBWLJXTK-UHFFFAOYSA-N
DG52096	Aclucinomycin A	308141	"Aclucinomycin A; NSC208734; NSC 208734; 79617-46-2; methyl (1R,2R,4S)-4-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate; Antibiotic MA144-A1; 57576-44-0; CHEMBL45414; DivK1c_000678; SCHEMBL1649619; HMS502B20; KBio1_000678; NINDS_000678; NSC240619; NSC-240619; IDI1_000678; QTL1_000003; NCI60_001746; 1-Naphthacenecarboxylic acid,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-.alpha.-L-lyxo-hexopyranosyl]-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, methyl ester, radical ion(1-), (1R-(1.alpha.,2.beta.,4.beta.))-; 1-Naphthacenecarboxylic acid,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-.alpha.-L-lyxo-hexopyranosyl]-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, methyl ester,(1R-(1.alpha.,2.beta.,4.beta.))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	208734	.	.	.	.	811.9	C42H53NO15	217	1530	3.8	58	4	16	10	"InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18 ,19 ,20 ,24 ,27 ,28-,29 ,30 ,31 ,35-,39 ,40 ,42+/m0/s1"	CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O	USZYSDMBJDPRIF-XCKHQVGJSA-N
DG52097	"ethyl N-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl)glycinate"	308223	"CHEMBL1980395; CC 9106; NCIMech_000207; ZINC5181134; BDBM50553925; CCG-35194; STL172887; AKOS003795792; MCULE-3683922063; NSC-208914; NCI60_001753; ethyl N-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl)glycinate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	208914	.	.	.	.	280.36	C15H24N2O3	67.4	367	2.3	20	2	3	5	"InChI=1S/C15H24N2O3/c1-2-20-13(18)9-16-14(19)17-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-12H,2-9H2,1H3,(H2,16,17,19)"	CCOC(=O)CNC(=O)NC12CC3CC(C1)CC(C3)C2	SPJFEYSTYQLXJT-UHFFFAOYSA-N
DG52098	Ethyl 2-[1-adamantylcarbamoyl(ethyl)amino]acetate	308224	33205-76-4; ethyl 2-[1-adamantylcarbamoyl(ethyl)amino]acetate; CC 9147; CHEMBL1992616; DTXSID10308781; ZINC5181136; NSC208915; NSC-208915; NCI60_001754	.	.	Investigative Drug(s)	Investigative	Small molecular drug	208915	.	.	.	.	308.4	C17H28N2O3	58.6	408	2.9	22	1	3	6	"InChI=1S/C17H28N2O3/c1-3-19(11-15(20)22-4-2)16(21)18-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-14H,3-11H2,1-2H3,(H,18,21)"	CCN(CC(=O)OCC)C(=O)NC12CC3CC(C1)CC(C3)C2	AHFGQKXJNIGZBT-UHFFFAOYSA-N
DG52099	Antibiotic A-31438	308371	"ANTIBIOTIC A-31438; NSC209870; 34698-88-9; NSC 209870; CHEMBL1997853; NSC-209870; NCI60_001758; A 31438; 4-(4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	209870	.	.	.	.	546.7	C28H50O10	163	822	1.9	38	5	10	3	"InChI=1S/C28H50O10/c1-10-19-14(3)22(30)15(4)21(29)13(2)11-27(8,34)24(31)16(5)23(17(6)26(33)37-19)38-20-12-28(9,35)25(32)18(7)36-20/h13-20,22-25,30-32,34-35H,10-12H2,1-9H3"	CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)O)C)O)(C)O)C)C)O)C	WWWXDCNRNMZGEN-UHFFFAOYSA-N
DG52100	"2,4-Pyrimidinediamine, 6-methyl-5-(3-phenylpropyl)-"	308637	"3977-17-1; SSA8WX9HQB; UNII-SSA8WX9HQB; NSC210486; 2,4-Pyrimidinediamine, 6-methyl-5-(3-phenylpropyl)-; CHEMBL175747; 6-methyl-5-(3-phenylpropyl)pyrimidine-2,4-diamine; NSC 210486; DTXSID70192845; BDBM50391227; ZINC13283435; NSC-210486; NCI60_001763; 6-Methyl-5-(3-phenylpropyl)-2,4-pyrimidinediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	210486	.	.	.	.	242.32	C14H18N4	77.8	240	2.7	18	2	4	4	"InChI=1S/C14H18N4/c1-10-12(13(15)18-14(16)17-10)9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H4,15,16,17,18)"	CC1=C(C(=NC(=N1)N)N)CCCC2=CC=CC=C2	ZOLRHOYGCWXBKL-UHFFFAOYSA-N
DG52101	"(2,5-Dioxo-imidazolidin-4-ylmethoxy)-urea"	308721	"NSC210739; 53459-36-2; NSC-210739; CHEMBL1979171; DTXSID20309007; NCI60_001767; (2,5-dioxo-imidazolidin-4-ylmethoxy)-urea; N-((2,5-dioxo-4-imidazolidinyl)methoxy)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	210739	.	.	.	.	188.14	C5H8N4O4	123	253	-2.2	13	4	4	3	"InChI=1S/C5H8N4O4/c6-4(11)9-13-1-2-3(10)8-5(12)7-2/h2H,1H2,(H3,6,9,11)(H2,7,8,10,12)"	C(C1C(=O)NC(=O)N1)ONC(=O)N	OSNXEHYTTNFVIU-UHFFFAOYSA-N
DG52102	"2, 6-[(Bromotrichlorophosphoranyl)methyl]-5-(3,4-dichlorophenyl)-"	308827	"NSC210924; ZINC104169371; NSC-210924; 2, 6-[(bromotrichlorophosphoranyl)methyl]-5-(3,4-dichlorophenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	210924	.	.	.	.	485.4	C11H9BrCl5N4P	77.8	412	5.3	22	2	4	3	"InChI=1S/C11H9BrCl5N4P/c12-22(15,16,17)4-8-9(10(18)21-11(19)20-8)5-1-2-6(13)7(14)3-5/h1-3H,4H2,(H4,18,19,20,21)"	C1=CC(=C(C=C1C2=C(N=C(N=C2N)N)CP(Cl)(Cl)(Cl)Br)Cl)Cl	CJJRHNVCPYJIJF-UHFFFAOYSA-N
DG52103	"s-Triazine, 4,6-diamino-1-(p-(4-(2,4-dichlorophenyl)butyl)phenyl)-1,2-dihydro-2,2-dimethyl-"	308871	"NSC104129; 17077-18-8; CHEMBL97830; 1,3,5-Triazine-2,4-diamine, 1-(4-(4-(2,4-dichlorophenyl)butyl)phenyl)-1,6-dihydro-6,6-dimethyl-; s-Triazine, 4,6-diamino-1-(p-(4-(2,4-dichlorophenyl)butyl)phenyl)-1,2-dihydro-2,2-dimethyl-; 1,3,5-Triazine-2,4-diamine, 1-[4-[4-(2,4-dichlorophenyl)butyl]phenyl]-1,6-dihydro-6,6-dimethyl-; s-Triazine, 4,6-diamino-1-[p-[4-(2,4-dichlorophenyl)butyl]phenyl]-1,2-dihydro-2,2-dimethyl-; NSC210978; NSC 104129; NCIMech_000130; DTXSID30168940; BDBM50498875; CCG-35336; ZINC17039536; NSC-210978; 1-[4-[4-(2,4-dichlorophenyl)butyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine; NCI60_000101"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	104129	.	.	.	.	418.4	C21H25Cl2N5	80	583	5	28	2	1	6	"InChI=1S/C21H25Cl2N5/c1-21(2)27-19(24)26-20(25)28(21)17-11-7-14(8-12-17)5-3-4-6-15-9-10-16(22)13-18(15)23/h7-13H,3-6H2,1-2H3,(H4,24,25,26,27)"	CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCCC3=C(C=C(C=C3)Cl)Cl)N)N)C	PDKJFRHBGYGOHD-UHFFFAOYSA-N
DG52104	N-(3-Nitrobenzyl)-4-methylbenzenesulfonamide	309044	NSC211193; MLS003115063; NSC-211193; 17400-36-1; NCIStruc1_001656; NCIStruc2_001554; CHEMBL1415488; DTXSID20309128; ZINC1748295; CCG-37022; NCGC00014586; NCI211193; NCGC00014586-02; NCGC00097690-01; NCI60_001774; SMR001830646; N-(3-Nitrobenzyl)-4-methylbenzenesulfonamide; N-(3-(hydroxy(oxido)amino)benzyl)-4-methylbenzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	211193	.	.	.	.	306.34	C14H14N2O4S	100	447	2.6	21	1	5	4	"InChI=1S/C14H14N2O4S/c1-11-5-7-14(8-6-11)21(19,20)15-10-12-3-2-4-13(9-12)16(17)18/h2-9,15H,10H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=CC=C2)[N+](=O)[O-]	CCAKBSJQJAVJQW-UHFFFAOYSA-N
DG52105	"2,4-Diaminohexahydropyrimidine-5-carbonitrile"	309160	"NSC211332; NSC-211332; CHEMBL2005668; SCHEMBL13659326; NCI60_001775; 2,4-diaminohexahydro-5-pyrimidinecarbonitrile; 2,4-Diaminohexahydropyrimidine-5-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	211332	.	.	.	.	141.18	C5H11N5	99.9	159	-2	10	4	5	0	"InChI=1S/C5H11N5/c6-1-3-2-9-5(8)10-4(3)7/h3-5,9-10H,2,7-8H2"	C1C(C(NC(N1)N)N)C#N	QMLSMSICNBXNLJ-UHFFFAOYSA-N
DG52106	"5-[4-(4-Aminophenyl)butyl]-6-methyl-pyrimidine-2,4-diamine; sulfuric acid"	309191	"NSC211370; CHEMBL1973168; NSC-211370; 5-[4-(4-aminophenyl)butyl]-6-methyl-pyrimidine-2,4-diamine; sulfuric acid; Sulfuric acid compound with 5-(4-(4-aminophenyl)butyl)-6-methyl-2,4-pyrimidinediamine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	211370	.	.	.	.	369.4	C15H23N5O4S	187	359	.	25	5	9	5	"InChI=1S/C15H21N5.H2O4S/c1-10-13(14(17)20-15(18)19-10)5-3-2-4-11-6-8-12(16)9-7-11;1-5(2,3)4/h6-9H,2-5,16H2,1H3,(H4,17,18,19,20);(H2,1,2,3,4)"	CC1=C(C(=NC(=N1)N)N)CCCCC2=CC=C(C=C2)N.OS(=O)(=O)O	XBUKMTOKOUUQQK-UHFFFAOYSA-N
DG52107	"4-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one"	309279	"MLS002702081; SMR001565650; NSC211488; cid_309279; CHEMBL1878306; BDBM97177; NSC-211488; 4-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one; NCI60_001778; Pyrano[3, 4-(1,3-benzodioxol-5-yl)- 2-(3,4-dimethoxyphenyl)-; 4-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c][1]benzopyran-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	211488	.	.	.	.	456.4	C27H20O7	72.4	850	4.9	34	0	7	4	"InChI=1S/C27H20O7/c1-29-20-9-8-16(12-23(20)30-2)22-13-18(15-7-10-21-24(11-15)32-14-31-21)25-26(33-22)17-5-3-4-6-19(17)34-27(25)28/h3-13,18H,14H2,1-2H3"	COC1=C(C=C(C=C1)C2=CC(C3=C(O2)C4=CC=CC=C4OC3=O)C5=CC6=C(C=C5)OCO6)OC	YVZUMPZSJNLBMY-UHFFFAOYSA-N
DG52108	"2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one"	309280	NSC211489; CHEMBL2005704; NSC-211489; NCI60_001779	.	.	Investigative Drug(s)	Investigative	Small molecular drug	211489	.	.	.	.	456.4	C27H20O7	72.4	850	4.9	34	0	7	4	"InChI=1S/C27H20O7/c1-29-20-9-7-15(11-23(20)30-2)18-13-22(16-8-10-21-24(12-16)32-14-31-21)33-26-17-5-3-4-6-19(17)34-27(28)25(18)26/h3-13,18H,14H2,1-2H3"	COC1=C(C=C(C=C1)C2C=C(OC3=C2C(=O)OC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6)OC	AXGMPAAIRJSHFS-UHFFFAOYSA-N
DG52109	"2,4-bis(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one"	309281	"MLS000756507; SMR000528769; NSC211490; cid_309281; CHEMBL1495325; SCHEMBL15413430; BDBM63818; HMS2886I06; 2,4-bis(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one; NSC-211490; 2,4-bis(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c][1]benzopyran-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	211490	.	.	.	.	472.5	C28H24O7	72.4	835	5	35	0	7	6	"InChI=1S/C28H24O7/c1-30-21-11-9-16(13-24(21)32-3)19-15-23(17-10-12-22(31-2)25(14-17)33-4)34-27-18-7-5-6-8-20(18)35-28(29)26(19)27/h5-15,19H,1-4H3"	COC1=C(C=C(C=C1)C2C=C(OC3=C2C(=O)OC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC)OC	DLTJNJHNAJBVMS-UHFFFAOYSA-N
DG52110	"4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)-"	309754	"IQF5NPS3ZY; UNII-IQF5NPS3ZY; NSC212183; 17005-34-4; 4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)-; NSC 212183; 2,6-diamino-5-(4-phenylbutyl)pyrimidine-4-carbaldehyde; CHEMBL1976506; DTXSID60168791; ZINC04633250; NSC-212183; NCI60_001786; 2,6-Diamino-5-(4-phenylbutyl)-4-pyrimidinecarboxaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	212183	.	.	.	.	270.33	C15H18N4O	94.9	294	2.6	20	2	5	6	"InChI=1S/C15H18N4O/c16-14-12(13(10-20)18-15(17)19-14)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H4,16,17,18,19)"	C1=CC=C(C=C1)CCCCC2=C(N=C(N=C2N)N)C=O	ZYSUCKDURHLPJA-UHFFFAOYSA-N
DG52111	"5-[4-(4-Nitrophenyl)butyl]pyrimidine-2,4,6-triamine"	309981	"NSC212446; 5-[4-(4-nitrophenyl)butyl]pyrimidine-2,4,6-triamine; CHEMBL1969983; ZINC4771825; NSC-212446; NCI60_001787; 2,4,6-Triamino-5-(4-(4-(hydroxy(oxido)amino)phenyl)butyl)pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	212446	.	.	.	.	302.33	C14H18N6O2	150	344	2.3	22	3	7	5	"InChI=1S/C14H18N6O2/c15-12-11(13(16)19-14(17)18-12)4-2-1-3-9-5-7-10(8-6-9)20(21)22/h5-8H,1-4H2,(H6,15,16,17,18,19)"	C1=CC(=CC=C1CCCCC2=C(N=C(N=C2N)N)N)[N+](=O)[O-]	ZULTXGJBOSJYDO-UHFFFAOYSA-N
DG52112	"2-chloro-N-(2,5-dimethoxyphenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]acetamide"	310867	MLS003115100; 20406-64-8; NSC215999; CHEMBL1904974; DTXSID90309796; ZINC1753225; NSC-215999; SMR001830683	.	.	Investigative Drug(s)	Investigative	Small molecular drug	215999	.	.	.	.	402.8	C20H19ClN2O5	76.2	577	2.5	28	0	5	7	"InChI=1S/C20H19ClN2O5/c1-27-13-7-8-17(28-2)16(11-13)22(18(24)12-21)9-10-23-19(25)14-5-3-4-6-15(14)20(23)26/h3-8,11H,9-10,12H2,1-2H3"	COC1=CC(=C(C=C1)OC)N(CCN2C(=O)C3=CC=CC=C3C2=O)C(=O)CCl	CYEOPLVNUGTVGD-UHFFFAOYSA-N
DG52113	1-(3-Fluorophenyl)-3-(2-methyl-5-nitrophenyl)urea	310951	MLS000756538; SMR000528786; NSC216183; 1-(3-fluorophenyl)-3-(2-methyl-5-nitrophenyl)urea; cid_310951; CHEMBL1465815; BDBM46806; ZINC1753336; NSC-216183; 1-(3-fluorophenyl)-3-(2-methyl-5-nitro-phenyl)urea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	216183	.	.	.	.	289.26	C14H12FN3O3	87	388	2.8	21	2	4	2	"InChI=1S/C14H12FN3O3/c1-9-5-6-12(18(20)21)8-13(9)17-14(19)16-11-4-2-3-10(15)7-11/h2-8H,1H3,(H2,16,17,19)"	CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NC2=CC(=CC=C2)F	ITDLGYNNVUOGDE-UHFFFAOYSA-N
DG52114	"4-[3-(3,5-Dioxopiperazin-1-yl)pentan-2-yl]piperazine-2,6-dione"	311908	"36753-17-0; ICRF 202; SCHEMBL727291; CHEMBL1967261; DTXSID90309897; 4-[3-(3,5-dioxopiperazin-1-yl)pentan-2-yl]piperazine-2,6-dione; NSC218457; NSC-218457; NCI60_001821; 2, 4,4'-(1-ethyl-2-methyl-1,2-ethanediyl)bis-, (R*,S*)-(.+-.)-; 2, 4,4'-(1-ethyl-2-methyl-1,2-ethanediyl)bis-, (R*,S*)-(PM)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	218457	.	.	.	.	296.32	C13H20N4O4	98.8	447	-0.4	21	2	6	4	"InChI=1S/C13H20N4O4/c1-3-9(17-6-12(20)15-13(21)7-17)8(2)16-4-10(18)14-11(19)5-16/h8-9H,3-7H2,1-2H3,(H,14,18,19)(H,15,20,21)"	CCC(C(C)N1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2	WEMJBSKVBVVFQG-UHFFFAOYSA-N
DG52115	"6-(Dimethylarsanylsulfanylmethyl)oxane-2,3,4,5-tetrol"	311912	"55094-19-4; NSC218476; 6-(dimethylarsanylsulfanylmethyl)oxane-2,3,4,5-tetrol; CHEMBL1984542; DTXSID20309901; NSC-218476; NCI60_001822; 6-THIO-.BETA.-D-GLUCOPYRANOSE, 6-(DIMETHYLARSINITE)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	218476	.	.	.	.	300.21	C8H17AsO5S	115	206	.	15	4	6	3	"InChI=1S/C8H17AsO5S/c1-9(2)15-3-4-5(10)6(11)7(12)8(13)14-4/h4-8,10-13H,3H2,1-2H3"	C[As](C)SCC1C(C(C(C(O1)O)O)O)O	MGSFMZYHFQRBQS-UHFFFAOYSA-N
DG52116	"6,7,8,9,10,11,12,13,14,15-Decahydrocyclododeca[g]pteridine-2,4-diamine"	311931	"53274-34-3; NSC219498; DTXSID10309910; ZINC13283498; 6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[g]pteridine-2,4-diamine; NSC-219498"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	219498	.	.	.	.	300.4	C16H24N6	104	339	3.5	22	2	6	0	"InChI=1S/C16H24N6/c17-14-13-15(22-16(18)21-14)20-12-10-8-6-4-2-1-3-5-7-9-11(12)19-13/h1-10H2,(H4,17,18,20,21,22)"	C1CCCCCC2=C(CCCC1)N=C3C(=NC(=NC3=N2)N)N	DALYAYWASLGRMT-UHFFFAOYSA-N
DG52117	"2-Chloro-3-(dodecylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione"	312122	"64102-02-9; NSC-220334; NSC220334; DTXSID70309971; ZINC104181925; NSC 220334; Replaced CAS registry number(s): 66835-31-2; 2,4-dione, 2-chloro-3-(dodecylthio)-5,6-dimethoxy-; 2-CHLORO-3-(DODECYLSULFANYL)-5,6-DIMETHOXYCYCLOHEXA-2,5-DIENE-1,4-DIONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	220334	.	.	.	.	403	C20H31ClO4S	77.9	540	7.5	26	0	5	14	"InChI=1S/C20H31ClO4S/c1-4-5-6-7-8-9-10-11-12-13-14-26-20-15(21)16(22)18(24-2)19(25-3)17(20)23/h4-14H2,1-3H3"	CCCCCCCCCCCCSC1=C(C(=O)C(=C(C1=O)OC)OC)Cl	XZZRDSLWZIGIPZ-UHFFFAOYSA-N
DG52118	Wortmannin	312145	"wortmannin; 19545-26-7; Wartmannin; KY 12420; Antibiotic SL-2052; SL-2052; UNII-XVA4O219QW; MFCD00133927; NSC221019; XVA4O219QW; MLS002703028; CHEMBL428496; CHEBI:52289; KY-12420; Pi 3-Kinase Inhibitor; (1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate; (1alpha,11alpha)-11-(Acetyloxy)-1-(methoxymethyl)-2-oxaandrosta-5,8-dieno(6,5,4-bc)furan-3,7,17-trione; (1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadeca-2(10),12(19),14-trien-3-yl acetate; (1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-3,6,6b,7,8,9,9a,10,11,11b-decahydro-1H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate; (1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-3,6,6b,7,8,9,9a,10,11,11b-decahydro-1H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate.; (1S,6bR,9aS,11R,11bR)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate; wortmanin; C23H24O8; NSC627609; Wortmannin, Wm; nchembio866-comp1; NSC 627609; BRN 0067676; SCHEMBL4531; BSPBio_001232; 4-19-00-03134 (Beilstein Handbook Reference); cid_312145; GTPL6060; MEGxm0_000446; DTXSID8040642; Wortmannin, Ready Made Solution; Wortmannin,Penicillium wortmannin; ACon0_000951; BDBM15234; HMS1792N13; HMS1990N13; HMS3403N13; Wortmannin, Penicillium funiculosum; EX-A1930; ZINC1619592; 2100AH; 2803AH; s2758; ST-415; Wortmannin - CAS 19545-26-7; CCG-208290; CS-5073; DB08059; NSC-221019; NSC-627609; Wortmannin, from Penicillium funiculosum; Wortmannin; SL-2052; KY-12420; NCGC00163485-01; NCGC00163485-02; BS-16306; HY-10197; NCI60_001835; SMR001566836; CU-00000000011-1; J-012661; BRD-K87343924-001-02-4; 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE; Wortmannin solution, 100 mug/mL in acetonitrile, analytical standard; Wortmannin, from Penicillium funiculosum, >=98% (HPLC and TLC); 3H-furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,; (1R,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b- decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate; (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4,; [(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetate; 2-Oxaandrosta-5,5,4-bc]furan-3,7,17-trione, 11-(acetyloxy)-1-(methoxymethyl)-, (1.alpha.,11.alpha.)-; 3H-Furo[4,2-de]indeno[4,5,-h]-2-benzopyran-3,6,9-trione, 11-(Acetyloxy)-1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6br,9aS,11R,11bR); 3H-Furo[4,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6br,9aS,11R,11bR); 3H-Furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-; 3H-Furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione,11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6bR,9aS,11R,11bR)-; 6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6bR,9aS,11R,11bR)-; octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, [1S-(1alpha,6baalpha,9abeta,11alpha,11bbeta)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	221019	.	.	.	.	428.4	C23H24O8	109	921	1.2	31	0	8	4	"InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1"	CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C	QDLHCMPXEPAAMD-QAIWCSMKSA-N
DG52119	"2,3-Bis(naphthalen-2-ylsulfanyl)naphthalene-1,4-dione"	312602	"18093-43-1; NSC222722; 2,3-bis(naphthalen-2-ylsulfanyl)naphthalene-1,4-dione; CHEMBL1972789; DTXSID30310205; ZINC1756562; NSC-222722; 2,3-bis(2-naphthylsulfanyl)naphthalene-1,4-dione; 1,4-Naphthalenedione, 2,3-bis(2-naphthalenylthio)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	222722	.	.	.	.	474.6	C30H18O2S2	84.7	753	8.5	34	0	4	4	InChI=1S/C30H18O2S2/c31-27-25-11-5-6-12-26(25)28(32)30(34-24-16-14-20-8-2-4-10-22(20)18-24)29(27)33-23-15-13-19-7-1-3-9-21(19)17-23/h1-18H	C1=CC=C2C=C(C=CC2=C1)SC3=C(C(=O)C4=CC=CC=C4C3=O)SC5=CC6=CC=CC=C6C=C5	KPICMJZBYHEMQM-UHFFFAOYSA-N
DG52120	"6-N-[(3,4-dichlorophenyl)methyl]-6-N-ethyl-5-methylquinazoline-2,4,6-triamine"	312901	"40066-33-9; NSC225112; CHEMBL3278315; DTXSID20310315; NSC-225112; 6-N-[(3,4-dichlorophenyl)methyl]-6-N-ethyl-5-methylquinazoline-2,4,6-triamine; 2,6-Quinazolinetriamine, N(6)-[(3,4-dichlorophenyl)methyl]-N(6)-ethyl-5-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	225112	.	.	.	.	376.3	C18H19Cl2N5	81.1	440	4.4	25	2	5	4	"InChI=1S/C18H19Cl2N5/c1-3-25(9-11-4-5-12(19)13(20)8-11)15-7-6-14-16(10(15)2)17(21)24-18(22)23-14/h4-8H,3,9H2,1-2H3,(H4,21,22,23,24)"	CCN(CC1=CC(=C(C=C1)Cl)Cl)C2=C(C3=C(C=C2)N=C(N=C3N)N)C	VADOLDYAUSTMFK-UHFFFAOYSA-N
DG52121	"2,4,5-Trichloro-6-methoxypyrimidine;4,5,6-trichloro-2-methoxypyrimidine"	313216	"NSC226798; NSC-226798; CHEMBL1742150; CCG-37874; NCGC00014593; NCI226798; NCGC00014593-02; NCGC00097697-01; NCI60_001852; 2,4,5-trichloro-6-methoxypyrimidine compound with 4,5,6-trichloro-2-methoxypyrimidine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	226798	.	.	.	.	426.9	C10H6Cl6N4O2	70	262	.	22	0	6	2	InChI=1S/2C5H3Cl3N2O/c1-11-4-2(6)3(7)9-5(8)10-4;1-11-5-9-3(7)2(6)4(8)10-5/h2*1H3	COC1=C(C(=NC(=N1)Cl)Cl)Cl.COC1=NC(=C(C(=N1)Cl)Cl)Cl	KNUOTVCVWRPDIZ-UHFFFAOYSA-N
DG52122	"1,4-Naphthalenedione, 5,8-dihydroxy-2,3-bis(hydroxymethyl)-"	313371	"MLS002703030; 57999-03-8; NSC227279; CHEMBL1699836; 1,4-Naphthalenedione, 5,8-dihydroxy-2,3-bis(hydroxymethyl)-; 5,8-Dihydroxy-2,3-bis(hydroxymethyl)naphthoquinone; SMR001566838; 5,8-dihydroxy-2,3-bis(hydroxymethyl)naphthalene-1,4-dione; NSC 227279; 5,8-dihydroxy-6,7-bis(hydroxymethyl)naphthalene-1,4-dione; Neuro_000113; cid_313371; BDBM80749; DTXSID20973565; ZINC5566507; BDBM50174540; NSC-227279; NCI60_001859; 1, 5,8-dihydroxy-2,3-bis(hydroxymethyl)-; 5,8-dihydroxy-6,7-dimethylol-1,4-naphthoquinone; 6,7-bis(hydroxymethyl)-5,8-bis(oxidanyl)naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	227279	.	.	.	.	250.2	C12H10O6	115	354	0.1	18	4	6	2	"InChI=1S/C12H10O6/c13-3-5-6(4-14)12(18)10-8(16)2-1-7(15)9(10)11(5)17/h1-2,13-14,17-18H,3-4H2"	C1=CC(=O)C2=C(C(=C(C(=C2C1=O)O)CO)CO)O	UKIJXKRMFLDSMY-UHFFFAOYSA-N
DG52123	"Benzofurazan, 4-(4-morpholinyl)-7-nitro-, 3-oxide"	313562	"MLS003115151; Benzofurazan, 4-(4-morpholinyl)-7-nitro-, 3-oxide; SMR001830734; 18378-05-7; NSC228082; cid_313562; CHEMBL1888405; BDBM96294; DTXSID70310527; 4-morpholin-4-yl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium; ZINC5339759; NSC-228082; DS-007116; 7-morpholino-4-nitro-1-oxido-benzofurazan-1-ium; BRD-K19291880-001-04-6; 4-(4-morpholinyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium; 4-morpholin-4-yl-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	228082	.	.	.	.	266.21	C10H10N4O5	110	345	1	19	0	7	1	"InChI=1S/C10H10N4O5/c15-13(16)7-1-2-8(12-3-5-18-6-4-12)10-9(7)11-19-14(10)17/h1-2H,3-6H2"	C1COCCN1C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	VJBMAFLDXIZVDK-UHFFFAOYSA-N
DG52124	"7-[(3-Methoxyphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole"	313591	"53619-48-0; NSC228120; DTXSID90310549; NSC-228120; DS-010371; Benzofurazan, 4-[(3-methoxyphenyl)thio]-7-nitro-, 3-oxide; 7-[(3-Methoxyphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	228120	.	.	.	.	319.29	C13H9N3O5S	132	410	3.3	22	0	7	3	"InChI=1S/C13H9N3O5S/c1-20-8-3-2-4-9(7-8)22-11-6-5-10(15(17)18)12-13(11)16(19)21-14-12/h2-7H,1H3"	COC1=CC(=CC=C1)SC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	UTDUSKUUJBCURF-UHFFFAOYSA-N
DG52125	"6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium"	313603	MLS002702087; 61785-82-8; NSC228132; CHEMBL1736432; DTXSID80310558; ZINC5339801; NSC-228132; NCI60_001860; SMR001565656	.	.	Investigative Drug(s)	Investigative	Small molecular drug	228132	.	.	.	.	264.24	C11H12N4O4	101	344	2.2	19	0	6	1	"InChI=1S/C11H12N4O4/c16-14(17)11-6-8-9(15(18)19-12-8)7-10(11)13-4-2-1-3-5-13/h6-7H,1-5H2"	C1CCN(CC1)C2=CC3=[N+](ON=C3C=C2[N+](=O)[O-])[O-]	JVZAGLAAFBGAEY-UHFFFAOYSA-N
DG52126	"7-Nitro-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole"	313619	"NSC228155; 113104-25-9; NSC-228155; NSC 228155; MLS000756562; 2-[(7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio]pyridine 1-oxide; CHEMBL505670; cid_313619; SCHEMBL22773985; BDBM25469; HMS2796J10; EX-A3226; ZINC1757986; 7-nitro-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole; s8312; AKOS033457659; CCG-267377; BS-14426; SMR000448993; HY-101084; CS-0020796; D80527; Z1603365293; 2-(7-Nitrobenzo[c][1,2,5]oxadiazol-4-ylthio)pyridine 1-oxide; 4-nitro-7-[(1-oxidopyridin-2-yl)sulfanyl]-2,1,3-benzoxadiazole; 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidopyridin-1-ium; 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]pyridin-1-ium-1-olate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	228155	.	.	.	.	290.26	C11H6N4O4S	136	369	1.3	20	0	7	2	InChI=1S/C11H6N4O4S/c16-14-6-2-1-3-9(14)20-8-5-4-7(15(17)18)10-11(8)13-19-12-10/h1-6H	C1=CC=[N+](C(=C1)SC2=CC=C(C3=NON=C23)[N+](=O)[O-])[O-]	ICCFXXDUYSPKOL-UHFFFAOYSA-N
DG52127	N-(4-Dimethylaminodiazenylphenyl)propanamide	314336	2084-62-0; NSC231660; N-(4-DIMETHYLAMINODIAZENYLPHENYL)PROPANAMIDE; CHEMBL1975748; DTXSID00310777; ZINC17045428; ZINC104183443; NSC-231660	.	.	Investigative Drug(s)	Investigative	Small molecular drug	231660	.	.	.	.	220.27	C11H16N4O	57.1	244	2.3	16	1	4	4	"InChI=1S/C11H16N4O/c1-4-11(16)12-9-5-7-10(8-6-9)13-14-15(2)3/h5-8H,4H2,1-3H3,(H,12,16)"	CCC(=O)NC1=CC=C(C=C1)N=NN(C)C	SFVATGHXWOFZOT-UHFFFAOYSA-N
DG52128	"2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione"	314728	"MLS002702089; SMR001565658; 58511-94-7; NSC234214; cid_314728; CHEMBL1729300; BDBM80076; DTXSID00310914; ZINC1761163; 2,3-dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione; NSC 234214; NSC-234214; NCI60_001892; 2,3-dimethoxy-5-(2-naphthylthio)-p-benzoquinone; 2,4-dione, 2,3-dimethoxy-5-(2-naphthalenylthio)-; 2,3-dimethoxy-5-(2-naphthalenylthio)cyclohexa-2,5-diene-1,4-dione; 2,3-dimethoxy-5-naphthalen-2-ylsulfanyl-cyclohexa-2,5-diene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	234214	.	.	.	.	326.4	C18H14O4S	77.9	563	3.9	23	0	5	4	"InChI=1S/C18H14O4S/c1-21-17-14(19)10-15(16(20)18(17)22-2)23-13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3"	COC1=C(C(=O)C(=CC1=O)SC2=CC3=CC=CC=C3C=C2)OC	JYXVVHHLNIBPJM-UHFFFAOYSA-N
DG52129	beta-Scillarenin	314799	"NSC234669; Scillarenine; Transvaalin aglycon; .beta.-Scillarenin; 3.beta.-Scillarenin; SCHEMBL1650091; CHEMBL1982527; NSC-234669; NCI60_001895; Bufa-4,22-trienolide, 3.beta.,14-dihydroxy-; Bufa-4,22-trienolide, 3,14-dihydroxy-, (3.beta.)-; WLN: L E5 B666 MUTJ A1 E1 IQ OQ F- ET6OVJ"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	234669	.	.	.	.	384.5	C24H32O4	66.8	794	2.9	28	2	4	1	"InChI=1S/C24H32O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,13-14,17-20,25,27H,4-5,7-12H2,1-2H3/t17-,18 ,19-,20+,22-,23+,24-/m0/s1"	C[C@]12CC[C@@H](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CCC4C5=COC(=O)C=C5)O)C)O	OVUOVMIMOCJILI-GDWHAHJOSA-N
DG52130	Ellipticine N-oxide	315033	"Ellipticine N-oxide; NSC237068; 37687-33-5; 5,11-Dimethyl-6H-pyrido[4,3-b]carbazole 2-oxide; 5,11-Dimethyl-6H-pyrido(4,3-b)carbazole 2-oxide; NSC 237068; CHEMBL302094; ZINC1762401; NSC-237068; NCI60_001907; 5,11-dimethyl-2-oxido-6H-pyrido[4,3-b]carbazol-2-ium; 6H-Pyrido[4, 5,11-dimethyl-, 2-oxide 6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl-, N-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	237068	.	.	.	.	262.3	C17H14N2O	35.8	633	3.7	20	1	3	0	"InChI=1S/C17H14N2O/c1-10-14-9-19(20)8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)18-17/h3-9,20H,1-2H3"	CC1=C2C=CN(C=C2C(=C3C1=NC4=CC=CC=C43)C)O	DNDAFFBIWNXNJB-UHFFFAOYSA-N
DG52131	"2,3-Dimethoxy-5-octylsulfanylcyclohexa-2,5-diene-1,4-dione"	315063	MLS003115189; 64101-97-9; NSC237677; CHEMBL1736502; DTXSID70311094; ZINC1762477; NSC-237677; SMR001830772	.	.	Investigative Drug(s)	Investigative	Small molecular drug	237677	.	.	.	.	312.4	C16H24O4S	77.9	438	4.5	21	0	5	10	"InChI=1S/C16H24O4S/c1-4-5-6-7-8-9-10-21-13-11-12(17)15(19-2)16(20-3)14(13)18/h11H,4-10H2,1-3H3"	CCCCCCCCSC1=CC(=O)C(=C(C1=O)OC)OC	HJWWFWFGMWCDJK-UHFFFAOYSA-N
DG52132	"6'-(Bis(2-chloroethyl)amino)spiro(imidazolidine-4,1'-indan)-2,5-dione"	315310	"97301-63-8; CB 1739; BRN 0931410; Spiro(imidazolidine-4,5-dione, 6'-[bis(2-chloroethyl)amino]-2',3'-dihydro-; Spiro[imidazolidine-4,5-dione, 6'-[bis(2-chloroethyl)amino]-2',3'-dihydro-; NSC240386; 6'-(Bis(2-chloroethyl)amino)spiro(imidazolidine-4,1'-indan)-2,5-dione; Spiro(imidazolidine-4,1'-indan)-2,5-dione, 6'-(bis(2-chloroethyl)amino)-; CHEMBL2007563; DTXSID50913999; NSC-240386; NCI60_001927; 6'-[Bis(2-chloroethyl)amino]-2',3'-dihydrospiro[imidazole-4,1'-indene]-2,5-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	240386	.	.	.	.	342.2	C15H17Cl2N3O2	61.4	456	2.2	22	2	3	5	"InChI=1S/C15H17Cl2N3O2/c16-5-7-20(8-6-17)11-2-1-10-3-4-15(12(10)9-11)13(21)18-14(22)19-15/h1-2,9H,3-8H2,(H2,18,19,21,22)"	C1CC2(C3=C1C=CC(=C3)N(CCCl)CCCl)C(=O)NC(=O)N2	SLOOKLJYJCGNRB-UHFFFAOYSA-N
DG52133	"5,8-Methano-1,3-dioxolo[4,5-h][2]benzoxepin-7(5H)-one, 8,9-dihydro-11-(hydroxymethyl)-9-(3,4,5-trimethoxyphenyl)-"	315392	"MLS003115218; NSC240553; CHEMBL2354767; NSC-240553; SMR001830800; 5,3-dioxolo[4,5-h][2]benzoxepin-7(5H)-one, 8,9-dihydro-11-(hydroxymethyl)-9-(3,4,5-trimethoxyphenyl)-; 5,8-Methano-1,3-dioxolo[4,5-h][2]benzoxepin-7(5H)-one, 8,9-dihydro-11-(hydroxymethyl)-9-(3,4,5-trimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	240553	.	.	.	.	414.4	C22H22O8	92.7	629	2.2	30	1	8	5	"InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(29-9-28-14)7-12(11)20-13(8-23)19(18)22(24)30-20/h4-7,13,18-20,23H,8-9H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2C3C(C(C4=CC5=C(C=C24)OCO5)OC3=O)CO	IXIUIXFHMVRZSY-UHFFFAOYSA-N
DG52134	"1H-Benzimidazole, 6-chloro-1-(2-chloroethyl)-2-(chloromethyl)-"	315496	"MLS003115224; 1H-Benzimidazole, 6-chloro-1-(2-chloroethyl)-2-(chloromethyl)-; NSC240755; CHEMBL2135555; ZINC1763349; NSC-240755; SMR001830806"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	240755	.	.	.	.	263.5	C10H9Cl3N2	17.8	215	3	15	0	1	3	"InChI=1S/C10H9Cl3N2/c11-3-4-15-9-5-7(13)1-2-8(9)14-10(15)6-12/h1-2,5H,3-4,6H2"	C1=CC2=C(C=C1Cl)N(C(=N2)CCl)CCCl	AKNZHAUTXUWGGO-UHFFFAOYSA-N
DG52135	"N,N'-bis(naphtho[1,2-b]quinolin-9-yl)butane-1,4-diamine"	315508	NSC240800; CHEMBL1992855; ZINC4773967; NSC-240800	.	.	Investigative Drug(s)	Investigative	Small molecular drug	240800	.	.	.	.	542.7	C38H30N4	49.8	807	10	42	2	4	7	"InChI=1S/C38H30N4/c1-3-9-33-25(7-1)11-13-27-21-29-23-31(15-17-35(29)41-37(27)33)39-19-5-6-20-40-32-16-18-36-30(24-32)22-28-14-12-26-8-2-4-10-34(26)38(28)42-36/h1-4,7-18,21-24,39-40H,5-6,19-20H2"	C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC(=C4)NCCCCNC5=CC6=C(C=C5)N=C7C(=C6)C=CC8=CC=CC=C87)N=C32	WTFZDIIBNGNKSR-UHFFFAOYSA-N
DG52136	NSC333843	315682	"(3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one;(3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one; NSC333843; CHEMBL1985850; NSC241248; NSC-241248; NSC-333843; NCI60_002921"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	333843	.	.	.	.	464.6	C30H40O4	52.6	830	.	34	0	4	0	"InChI=1S/2C15H20O2/c2*1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3;11-13H,1-2,4-8H2,3H3/t9-,11+,13+,15+;11-,12+,13-,15-/m01/s1"	C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)C3=C)C.C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)C3=C	BSIJWVLHHXRGIG-YULDBFNHSA-N
DG52137	"2-(3-Methylbutylsulfanyl)naphthalene-1,4-dione"	315743	NSC241494; ZINC1763909; NSC-241494	.	.	Investigative Drug(s)	Investigative	Small molecular drug	241494	.	.	.	.	260.399	C15H16O2S	59.4	371	3.7	18	0	3	4	"InChI=1S/C15H16O2S/c1-10(2)7-8-18-14-9-13(16)11-5-3-4-6-12(11)15(14)17/h3-6,9-10H,7-8H2,1-2H3"	CC(C)CCSC1=CC(=O)C2=CC=CC=C2C1=O	MWXOICKRBDTGJY-UHFFFAOYSA-N
DG52138	"1-Butanesulfonamide, monomethanesulfonate"	316348	"NSC243930; CHEMBL1984865; DTXSID40908470; NSC-243930; 1-Butanesulfonamide, monomethanesulfonate; 103554-60-5; Methanesulfonic acid--N-{4-[(acridin-9(10H)-ylidene)amino]-3-methoxyphenyl}butane-1-sulfonamide (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	243930	.	.	.	.	531.6	C25H29N3O6S2	151	738	.	36	3	9	8	"InChI=1S/C24H25N3O3S.CH4O3S/c1-3-4-15-31(28,29)27-17-13-14-22(23(16-17)30-2)26-24-18-9-5-7-11-20(18)25-21-12-8-6-10-19(21)24;1-5(2,3)4/h5-14,16,27H,3-4,15H2,1-2H3,(H,25,26);1H3,(H,2,3,4)"	CCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC.CS(=O)(=O)O	ACMLFRXOFKPNRH-UHFFFAOYSA-N
DG52139	NSC244425	316447	"N-[2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide; Triostin A; NSC244425; N-[2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide; 13758-27-5; N-[(1S,4S,7R,11S,14S,17S,20R,24S)-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide; CHEMBL2007041; NSC-244425; NCI60_001953; L-Valine, bimol. lactone, cyclic disulfide; B100928K382"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	244425	.	.	.	.	1087.2	C50H62N12O12S2	352	2010	2	76	4	18	6	"InChI=1S/C50H62N12O12S2/c1-25(2)39-49(71)73-21-35(57-41(63)33-19-51-29-15-11-13-17-31(29)55-33)43(65)53-28(6)46(68)60(8)38-24-76-75-23-37(47(69)61(39)9)59(7)45(67)27(5)54-44(66)36(22-74-50(72)40(26(3)4)62(10)48(38)70)58-42(64)34-20-52-30-16-12-14-18-32(30)56-34/h11-20,25-28,35-40H,21-24H2,1-10H3,(H,53,65)(H,54,66)(H,57,63)(H,58,64)"	CC1C(=O)N(C2CSSCC(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)C	GULVULFEAVZHHC-UHFFFAOYSA-N
DG52140	"2,2',3,3'-Tetrahydroxy-1,1'-binaphthyl"	316673	"39215-21-9; 2,2',3,3'-Tetrahydroxy-1,1'-binaphthyl; 61601-94-3; 1,1'-Bi(2,3-naphthodiol); [1,1'-Binaphthalene]-2,2',3,3'-tetraol; 1-(2,3-dihydroxynaphthalen-1-yl)naphthalene-2,3-diol; 1,1-Bi(2,3-naphthodiol); [1,1'-Binaphthalene]-2,2',3,3'-tetrol; 2,3,2',3'-TETRAHYDROXY-1,1'-BINAPHTHYL; ZINC01765622; NSC245006; SCHEMBL918396; [1,2',3,3'-tetrol; DTXSID70959990; 1,1'-Bi[2,3-naphthalenediol]; ZINC1765622; MFCD00188003; AKOS025402000; NSC-245006; 1,1'-binaphthyl-2,2',3,3'-tetraol; AC-27936; AS-63237; DB-053944; FT-0640768; T1754; D92519; (aR)-1,1'-Binaphthalene-2,2',3,3'-tetraol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	245006	.	.	.	.	318.3	C20H14O4	80.9	401	4.6	24	4	4	1	"InChI=1S/C20H14O4/c21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h1-10,21-24H"	C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)O)O)O)O	OOSHJGKXQBJASF-UHFFFAOYSA-N
DG52141	[3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate	316843	"NSC245341; 54845-15-7; DTXSID70311791; ZINC1765947; NSC-245341; 1, 5-[bis(2-chloroethyl)amino]-, dicarbamate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	245341	.	.	.	.	336.17	C12H15Cl2N3O4	108	329	1.6	21	2	5	9	"InChI=1S/C12H15Cl2N3O4/c13-1-3-17(4-2-14)8-5-9(20-11(15)18)7-10(6-8)21-12(16)19/h5-7H,1-4H2,(H2,15,18)(H2,16,19)"	C1=C(C=C(C=C1OC(=O)N)OC(=O)N)N(CCCl)CCCl	YGGDABPJGGNPPC-UHFFFAOYSA-N
DG52142	"[3,4,5-Triacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-2-yl]methyl acetate"	316858	"NSC245432; 42936-80-1; CHEMBL417798; DTXSID90874959; 58484-10-9; NSC-245432; NCI60_001962; Urea,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-; UREA, N-(2-CHLOROETHYL)-N-NITROSO-N'-(2,3,4,6-TE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	245432	.	.	.	.	481.8	C17H24ClN3O11	176	735	0.8	32	1	12	12	"InChI=1S/C17H24ClN3O11/c1-8(22)28-7-12-13(29-9(2)23)14(30-10(3)24)15(31-11(4)25)16(32-12)19-17(26)21(20-27)6-5-18/h12-16H,5-7H2,1-4H3,(H,19,26)"	CC(=O)OCC1C(C(C(C(O1)NC(=O)N(CCCl)N=O)OC(=O)C)OC(=O)C)OC(=O)C	AOUKENUMKWIYHM-UHFFFAOYSA-N
DG52143	"3-(Pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one"	317081	"51216-58-1; NSC246399; ST085749; 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one; Oprea1_564032; MLS000113763; SCHEMBL6738816; CHEMBL1608535; DTXSID10311896; HMS2156G17; HMS3312H18; ZINC1149129; STK522977; AKOS000369721; MCULE-4565984730; NSC-246399; SDCCGMLS-0035494.P002; SMR000109655; DS-001022; CS-0118354; 3-pyridin-3-ylmethyl-2-thioxo-thiazolidin-4-one; SR-01000254146; SR-01000254146-1; Thiazolidin-4-one, 3-pyridin-3-ylmethyl-2-thioxo-; 3-(3-Pyridinylmethyl)-2-thioxo-1,3-thiazolidin-4-one; 3-(pyridin-3-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one; 3-(Pyridin-3-ylmethyl)-2-sulfanylidene-thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	246399	.	.	.	.	224.3	C9H8N2OS2	90.6	257	1.3	14	0	4	2	"InChI=1S/C9H8N2OS2/c12-8-6-14-9(13)11(8)5-7-2-1-3-10-4-7/h1-4H,5-6H2"	C1C(=O)N(C(=S)S1)CC2=CN=CC=C2	HVOPSRSIFJPCRF-UHFFFAOYSA-N
DG52144	"3-(2,6-Dichlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine"	317088	"NSC246406; 3-(2,6-Dichlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine; NSC-246406"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	246406	.	.	.	.	384.3	C21H15Cl2NS	37.7	467	6.5	25	0	2	2	"InChI=1S/C21H15Cl2NS/c22-16-9-6-10-17(23)20(16)15-13-25-19-12-5-4-11-18(19)24-21(15)14-7-2-1-3-8-14/h1-12,15H,13H2"	C1C(C(=NC2=CC=CC=C2S1)C3=CC=CC=C3)C4=C(C=CC=C4Cl)Cl	WKIVNKVZPKISLV-UHFFFAOYSA-N
DG52145	"2-(3-(Hydroxy(oxido)amino)phenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine"	317089	"2-(3-nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine; 60246-86-8; 2-(3-(Hydroxy(oxido)amino)phenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine; NSC246407; NSC 246407; Bio7F3; CCG-237124; MCULE-3904093681; NSC-246407"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	246407	.	.	.	.	360.4	C21H16N2O2S	83.5	527	4.9	26	0	4	2	"InChI=1S/C21H16N2O2S/c24-23(25)17-10-6-9-16(13-17)21-14-19(15-7-2-1-3-8-15)22-18-11-4-5-12-20(18)26-21/h1-13,21H,14H2"	C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]	XXYPDVRSHFSOFF-UHFFFAOYSA-N
DG52146	"2-(3-Chloropropanoyl)-1,2-dihydroisoquinoline-1-carbonitrile"	317098	"32409-95-3; 2-(3-CHLOROPROPANOYL)-1,2-DIHYDROISOQUINOLINE-1-CARBONITRILE; NSC246968; DTXSID70311897; 1-Isoquinolinecarbonitrile,2-(3-chloro-1-oxopropyl)-1,2-dihydro-; NSC-246968; 2-(3-Chloropropionyl)-1,2-dihydroisoquinoline-1-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	246968	.	.	.	.	246.69	C13H11ClN2O	44.1	371	1.9	17	0	2	2	"InChI=1S/C13H11ClN2O/c14-7-5-13(17)16-8-6-10-3-1-2-4-11(10)12(16)9-15/h1-4,6,8,12H,5,7H2"	C1=CC=C2C(N(C=CC2=C1)C(=O)CCCl)C#N	OVKNQLCXEQHYLH-UHFFFAOYSA-N
DG52147	1-Acridin-9-ylpiperidin-4-ol	317251	NSC248040; CHEMBL1993956; ZINC31740120; NSC-248040	.	.	Investigative Drug(s)	Investigative	Small molecular drug	248040	.	.	.	.	278.3	C18H18N2O	36.4	331	3.5	21	1	3	1	"InChI=1S/C18H18N2O/c21-13-9-11-20(12-10-13)18-14-5-1-3-7-16(14)19-17-8-4-2-6-15(17)18/h1-8,13,21H,9-12H2"	C1CN(CCC1O)C2=C3C=CC=CC3=NC4=CC=CC=C42	ROUXDRGKRHPJQI-UHFFFAOYSA-N
DG52148	7-Chlorocamptothecin	317560	"7-Chlorocamptothecin; NSC249910; 41646-05-3; SCHEMBL5319306; CHEMBL1970399; DTXSID30961872; NSC-249910; NCI60_001992; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 11-chloro-4-ethyl-4-hydroxy-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	249910	.	.	.	.	382.8	C20H15ClN2O4	79.7	778	1.6	27	1	5	1	"InChI=1S/C20H15ClN2O4/c1-2-20(26)13-7-15-17-11(16(21)10-5-3-4-6-14(10)22-17)8-23(15)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)Cl)O	KUAKYFCHUDSMNU-FQEVSTJZSA-N
DG52149	"11-Chloro-4-ethyl-3-hydroxy-1,3,4,12-tetrahydro-14H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-14-one"	317561	"NSC249911; 57182-93-1; 11-Chloro-4-ethyl-3-hydroxy-1,3,4,12-tetrahydro-14H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-14-one; 11-Chloro-4-ethyl-3-hydroxy-1,3,4,12-tetrahydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-14-one; NSC 249911; chloro-ethyl-hydroxy-[ ]one; CHEMBL1971583; DTXSID90972641; NSC-249911; NCI60_001993; {1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinolin-14(12H)-one,} 11-chloro-4-ethyl-3,4-dihydro-3-hydroxy-; 1H-Pyrano[3',7]indolizino[1,2-b]quinolin-14(12H)-one, 11-chloro-4-ethyl-3,4-dihydro-3-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	249911	.	.	.	.	368.8	C20H17ClN2O3	62.7	691	1.9	26	1	4	1	"InChI=1S/C20H17ClN2O3/c1-2-10-12-7-16-18-13(17(21)11-5-3-4-6-15(11)22-18)8-23(16)19(24)14(12)9-26-20(10)25/h3-7,10,20,25H,2,8-9H2,1H3"	CCC1C(OCC2=C1C=C3C4=NC5=CC=CC=C5C(=C4CN3C2=O)Cl)O	NVUCXWARTRYWFI-UHFFFAOYSA-N
DG52150	"Benzoic acid;4-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,2-diol"	317587	"MLS003115308; SMR001830888; 13263-58-6; NSC250293; CHEMBL1902287; DTXSID80312118; NSC-250293; SR-01000886466; SR-01000886466-2; 1, 4-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]-, monobenzoate (salt); 1,2-Benzenediol, 4-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]-, monobenzoate (salt)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	250293	.	.	.	.	425.5	C24H27NO6	130	423	.	31	6	7	7	"InChI=1S/C17H21NO4.C7H6O2/c1-11(8-12-2-5-14(19)6-3-12)18-10-17(22)13-4-7-15(20)16(21)9-13;8-7(9)6-4-2-1-3-5-6/h2-7,9,11,17-22H,8,10H2,1H3;1-5H,(H,8,9)"	CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=C(C=C2)O)O)O.C1=CC=C(C=C1)C(=O)O	WJXXXRPUINHURH-UHFFFAOYSA-N
DG52151	CID 317640	317640	"Oridonin; ISODONOL; NSC250682; MLS003115310; NSC-250682; 28957-04-2; Kaur-16-en-15-one,20-epoxy-1,6,7,14-tetrahydroxy-, (1a,6b,7a,14R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	250682	.	.	.	.	364.4	C20H28O6	107	717	0.1	26	4	6	0	"InChI=1S/C20H28O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h10-13,15-16,21,23-25H,1,4-8H2,2-3H3/t10 ,11-,12-,13+,15+,16-,18-,19 ,20 /m0/s1"	CC1(CC[C@@H]([C@@]23[C@@H]1[C@@H](C(C45[C@H]2CCC([C@H]4O)C(=C)C5=O)(OC3)O)O)O)C	SDHTXBWLVGWJFT-JICVRJLYSA-N
DG52152	Palmitoyl Ara-C	317641	"MLS002702102; Palmitoyl Ara-C; CHEMBL62507; SCHEMBL20809906; DTXSID30971097; NSC250684; NSC-250684; NCI60_001997; SMR001565670; Hexadecanamide,2-dihydro-2-oxo-4-pyrimidinyl)-; Cytosine, 1.beta.-D-arabinofuranosyl-N(sup 4)-palmitoyl-; 4-(Hexadecanoylimino)-1-pentofuranosyl-1,4-dihydropyrimidin-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	250684	.	.	.	.	481.6	C25H43N3O6	132	684	6	34	4	6	17	"InChI=1S/C25H43N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(30)26-20-16-17-28(25(33)27-20)24-23(32)22(31)19(18-29)34-24/h16-17,19,22-24,29,31-32H,2-15,18H2,1H3,(H,26,27,30,33)"	CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O	XEFNBUBDJCJOGM-UHFFFAOYSA-N
DG52153	"Cytosine, 1beta-D-arabinofuranosyl-N(sup 4)-lauroyl-"	317642	"NSC250686; CHEMBL1978256; SCHEMBL23433256; DTXSID10971095; NSC-250686; NCI60_001998; Dodecanamide,2-dihydro-2-oxo-4-pyrimidinyl)-; Cytosine, 1.beta.-D-arabinofuranosyl-N(sup 4)-lauroyl-; 4-(Dodecanoylimino)-1-pentofuranosyl-1,4-dihydropyrimidin-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	250686	.	.	.	.	425.5	C21H35N3O6	132	624	3.8	30	4	6	13	"InChI=1S/C21H35N3O6/c1-2-3-4-5-6-7-8-9-10-11-17(26)22-16-12-13-24(21(29)23-16)20-19(28)18(27)15(14-25)30-20/h12-13,15,18-20,25,27-28H,2-11,14H2,1H3,(H,22,23,26,29)"	CCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O	DIQMOLNTZYUDBX-UHFFFAOYSA-N
DG52154	"[3,4,5-Triacetyloxy-6-(7,8-dimethoxy-4,5-dihydrobenzo[g]indazol-1-yl)oxan-2-yl]methyl acetate"	317776	"NSC251198; 57595-73-0; CHEMBL1981453; DTXSID40312210; NSC-251198; NCI60_002002; 4,8-DIMETHOXY-1-(2,3,4,6-TETRA-O-ACETYL-.BETA.-D-GLUCOPYRANOSYL)-1H-BENZ[G]INDAZOLE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	251198	.	.	.	.	560.5	C27H32N2O11	151	947	1.6	40	0	12	12	"InChI=1S/C27H32N2O11/c1-13(30)36-12-22-24(37-14(2)31)25(38-15(3)32)26(39-16(4)33)27(40-22)29-23-18(11-28-29)8-7-17-9-20(34-5)21(35-6)10-19(17)23/h9-11,22,24-27H,7-8,12H2,1-6H3"	CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCC4=CC(=C(C=C43)OC)OC)C=N2)OC(=O)C)OC(=O)C)OC(=O)C	CZORZRFQLNOLAY-UHFFFAOYSA-N
DG52155	(-)-Dicentrine	317843	"(-)-Dicentrine; Dicentrine, (-)-; L-DICENTRINE; 28832-07-7; NSC-251699; UNII-5O9KK11109; NSC251699; MLS000575015; 5O9KK11109; SMR000156300; (R)-(-)-Dicentrine; (R)-10,11-dimethoxy-7-methyl-6,7,7a,8-tetrahydro-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]benzo[g]quinoline; Dicentrine L-form [MI]; NSC 251699; DICENTRINE-(-); CHEMBL478754; cid_317843; BDBM70841; HMS2223B12; ZINC1556419; NCGC00247614-01; 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (7aR)-; NCI60_002017; Q27262635; UNII-J3IJ5DN3JE component YJWBWQWUHVXPNC-CQSZACIVSA-N; 5H-Benzo[g]-1,5,4-de]quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (R)-; (12R)-16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	251699	.	.	.	.	339.4	C20H21NO4	40.2	502	3.2	25	0	5	2	"InChI=1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m1/s1"	CN1CCC2=CC3=C(C4=C2[C@H]1CC5=CC(=C(C=C54)OC)OC)OCO3	YJWBWQWUHVXPNC-CQSZACIVSA-N
DG52156	"2-Chloro-6-(4-chloro-phenyl)-[1,4]benzoquinone"	317884	"NSC251757; 2-chloro-6-(4-chloro-phenyl)-[1,4]benzoquinone; CHEMBL1979403; ZINC1556460; NSC-251757; 95046-88-1; NCI60_002018; 2-CHLORO-6-(4-CHLOROPHENYL)-2,4-DIONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	251757	.	.	.	.	253.08	C12H6Cl2O2	34.1	388	3.1	16	0	2	1	InChI=1S/C12H6Cl2O2/c13-8-3-1-7(2-4-8)10-5-9(15)6-11(14)12(10)16/h1-6H	C1=CC(=CC=C1C2=CC(=O)C=C(C2=O)Cl)Cl	MNGDMRAWWJWYRE-UHFFFAOYSA-N
DG52157	"Butanedioic acid, 2-bromo-3-fluoro-, dimethyl ester"	317895	"dimethyl 2-bromo-3-fluorobutanedioate; 36875-34-0; Butanedioic acid, 2-bromo-3-fluoro-, dimethyl ester; 1992-93-4; dimethyl 2-bromo-3-fluoro-butanedioate; NSC251805; DIMETHYLTHREO-2-BROMO-3-FLUOROSUCCINATE; CHEMBL1981684; DTXSID10941834; NSC272364; NSC297895; NSC-251805; NSC-272364; NSC-297895; METHYL 2-BROMO-3-FLUOROSUCCINATE; NCI60_002020; DS-007320; 1,4-DIMETHYL 2-BROMO-3-FLUOROBUTANEDIOATE; A823420"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	251805	.	.	.	.	243.03	C6H8BrFO4	52.6	184	1.2	12	0	5	5	"InChI=1S/C6H8BrFO4/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4H,1-2H3"	COC(=O)C(C(C(=O)OC)Br)F	UOQPHRJOTAQHPN-UHFFFAOYSA-N
DG52158	"2-Chloro-5,6-dimethoxy-3-octylsulfanylcyclohexa-2,5-diene-1,4-dione"	318118	"66777-02-4; NSC-252188; NSC252188; CHEMBL1966705; DTXSID70312329; ZINC1556939; 2-chloro-5,6-dimethoxy-3-octylsulfanylcyclohexa-2,5-diene-1,4-dione; NCI60_002024; DS-003666; 2,4-dione, 2-chloro-5,6-dimethoxy-3-(octylthio)-; 2,5-Cyclohexadiene-1,4-dione, 2-chloro-5, 6-dimethoxy-3-(octylthio)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	252188	.	.	.	.	346.9	C16H23ClO4S	77.9	483	5.4	22	0	5	10	"InChI=1S/C16H23ClO4S/c1-4-5-6-7-8-9-10-22-16-11(17)12(18)14(20-2)15(21-3)13(16)19/h4-10H2,1-3H3"	CCCCCCCCSC1=C(C(=O)C(=C(C1=O)OC)OC)Cl	QVLRYWZYUQDULC-UHFFFAOYSA-N
DG52159	Phomazarin	318385	Phomazarin; NSC254677; CHEMBL1965337; NSC-254677; NCI60_002045	.	.	Investigative Drug(s)	Investigative	Small molecular drug	254677	.	.	.	.	387.3	C19H17NO8	150	811	3.7	28	4	9	5	"InChI=1S/C19H17NO8/c1-3-4-5-7-9(28-2)6-8(21)11-10(7)16(23)13-12(15(11)22)17(24)18(25)14(20-13)19(26)27/h6,21,25H,3-5H2,1-2H3,(H,20,24)(H,26,27)"	CCCCC1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=O)C(=C(N3)C(=O)O)O)O)OC	YGIXUDSUMVVCHC-UHFFFAOYSA-N
DG52160	"4-(2-Pyridinylmethyl)thiomorpholine 1,1-dioxide"	318461	"NSC255025; 477864-24-7; MLS000756591; NSC-255025; 4-(2-pyridinylmethyl)thiomorpholine 1,1-dioxide; 4-[(pyridin-2-yl)methyl]-1lambda6-thiomorpholine-1,1-dione; Bionet2_000480; NCIStruc1_000873; NCIStruc2_001747; Oprea1_192956; 4-(pyridin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide; CHEMBL1334397; HMS1365F18; HMS2886G10; CCG-37836; MFCD02570782; NCGC00014612; NCI255025; ZINC57677586; AKOS005081182; MCULE-7633084896; NCGC00014612-02; NCGC00097715-01; NCI60_002048; SMR000528811; 4-(2-Pyridinylmethyl)-4-thiazinane-1,1-dione; 12P-614; 4-(pyridin-2-ylmethyl)thiomorpholine 1,1-dioxide; 4-(pyridin-2-ylmethyl)-1  -thiomorpholine-1,1-dione; F6543-1158"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	255025	.	.	.	.	226.3	C10H14N2O2S	58.6	283	-0.1	15	0	4	2	"InChI=1S/C10H14N2O2S/c13-15(14)7-5-12(6-8-15)9-10-3-1-2-4-11-10/h1-4H,5-9H2"	C1CS(=O)(=O)CCN1CC2=CC=CC=N2	QSMZTYDRYNBYDC-UHFFFAOYSA-N
DG52161	"2,3-Dibromo-3-(2-(hydroxy(oxido)amino)phenyl)propanoic acid"	318492	"NSC255088; 70321-33-4; NSC-255088; CHEMBL1997121; DTXSID20312470; AKOS024431986; MCULE-6967848266; NCI60_002049; ALPHA,BETA-DIBROMO-2-NITROHYDROCINNAMIC ACID; 2,3-dibromo-3-(2-(hydroxy(oxido)amino)phenyl)propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	255088	.	.	.	.	352.96	C9H7Br2NO4	83.1	281	2.7	16	1	4	3	"InChI=1S/C9H7Br2NO4/c10-7(8(11)9(13)14)5-3-1-2-4-6(5)12(15)16/h1-4,7-8H,(H,13,14)"	C1=CC=C(C(=C1)C(C(C(=O)O)Br)Br)[N+](=O)[O-]	ZZBGCCIQPYEBFF-UHFFFAOYSA-N
DG52162	N6-Benzyladenosine-5'-phosphate	318601	"[5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate; N6-Benzyladenosine-5'-phosphate; 13484-66-7; [(2R,3R,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl ]methoxyphosphonic acid; NSC255523; SCHEMBL14700471; DTXSID40928774; N-Benzyl-9-(5-O-phosphonopentofuranosyl)-9H-purin-6-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	255523	.	.	.	.	437.3	C17H20N5O7P	172	621	-1.4	30	5	11	7	"InChI=1S/C17H20N5O7P/c23-13-11(7-28-30(25,26)27)29-17(14(13)24)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H,18,19,20)(H2,25,26,27)"	C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COP(=O)(O)O)O)O	DWVANBHPEPSMOV-UHFFFAOYSA-N
DG52163	Hyrcanoside	318696	"Hyrcanoside; 15001-93-1; NSC256926; (3S,8R,9S,10S,13R,14S)-3-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde; NSC-256926; CHEMBL1988412; DTXSID90933853; NCI60_002066; B627093K049; 3-[(4-o-hexopyranosylpentopyranosyl)oxy]-14-hydroxy-19-oxocarda-4,20(22)-dienolide; Carda-4, 3-[(4-O-.beta.-D-glucopyranosyl-.beta.-D-xylopyranosyl)oxy]-14-hydroxy-19-oxo-; Carda-4, 3-[(4-O-.beta.-D-glucopyranosyl-.beta.-D-xylopyranosyl)oxy]-14-hydroxy-19-oxo-, (3.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	256926	.	.	.	.	680.7	C34H48O14	222	1320	-2.1	48	7	14	7	"InChI=1S/C34H48O14/c1-32-7-5-20-21(34(32,43)9-6-19(32)16-10-24(37)44-13-16)3-2-17-11-18(4-8-33(17,20)15-36)46-30-28(41)26(39)23(14-45-30)48-31-29(42)27(40)25(38)22(12-35)47-31/h10-11,15,18-23,25-31,35,38-43H,2-9,12-14H2,1H3/t18-,19 ,20-,21+,22 ,23 ,25 ,26 ,27 ,28 ,29 ,30 ,31 ,32+,33+,34-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@]1(CCC2C4=CC(=O)OC4)O)CCC5=C[C@H](CC[C@]35C=O)OC6C(C(C(CO6)OC7C(C(C(C(O7)CO)O)O)O)O)O	HFXNSSUZFCOFIY-JJRUEEJWSA-N
DG52164	"3,4,5-Tris(phenylsulfanyl)pyridine-2,6-dicarbonitrile"	318768	"53862-54-7; NSC258168; 3,4,5-tris(phenylsulfanyl)pyridine-2,6-dicarbonitrile; 2, 3,4,5-tris(phenylthio)-; DTXSID00312559; ZINC1557737; NSC-258168; DS-012642; 2,6-Pyridinedicarbonitrile, 3,4,5-tris(phenylthio)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	258168	.	.	.	.	453.6	C25H15N3S3	136	603	7.2	31	0	6	6	InChI=1S/C25H15N3S3/c26-16-21-23(29-18-10-4-1-5-11-18)25(31-20-14-8-3-9-15-20)24(22(17-27)28-21)30-19-12-6-2-7-13-19/h1-15H	C1=CC=C(C=C1)SC2=C(N=C(C(=C2SC3=CC=CC=C3)SC4=CC=CC=C4)C#N)C#N	MMEWWNCMPUGYOO-UHFFFAOYSA-N
DG52165	"6,6-Dimethyl-2,10-dimethylidene-4,8-dioxadispiro[4.1.47.35]tetradecane-3,9-dione"	318804	NSC258625; CHEMBL1987512; NSC-258625	.	.	Investigative Drug(s)	Investigative	Small molecular drug	258625	.	.	.	.	276.33	C16H20O4	52.6	499	3.1	20	0	4	0	"InChI=1S/C16H20O4/c1-10-8-15(19-12(10)17)6-5-7-16(14(15,3)4)9-11(2)13(18)20-16/h1-2,5-9H2,3-4H3"	CC1(C2(CCCC13CC(=C)C(=O)O3)CC(=C)C(=O)O2)C	MNOOTCTZYTWUSS-UHFFFAOYSA-N
DG52166	"Benzamide, 4-[(1-methyl-6-nitro-4(1H)-quinolinylidene)amino]-N-[4-[(1-methyl-4(1H)-pyridinylidene)amino]phenyl]-"	319089	"NSC260594; MLS000756593; SMR000528812; 906718-66-9; Benzamide, 4-[(1-methyl-6-nitro-4(1H)-quinolinylidene)amino]-N-[4-[(1-methyl- 4(1H)-pyridinylidene)amino]phenyl]-; Benzamide, 4-[(1-methyl-6-nitro-4(1H)-quinolinylidene)amino]-N-[4-[(1-methyl-4(1H)-pyridinylidene)amino]phenyl]-; Benzamide, 4-[(1-methyl-6-nitro-4(1H)-quinolinylidene)amino]-N-[4-[(1-methyl-4(1H)-pyridinylidene]amino]phenyl]-; cid_319089; CHEMBL1978479; SCHEMBL15538290; SCHEMBL17273901; BDBM53245; HMS2880J16; ZINC18057104; ZINC100367617; NSC-260594; 4-[(1-methyl-6-nitroquinolin-4-ylidene)amino]-N-[4-[(1-methylpyridin-4-ylidene)amino]phenyl]benzamide; (Z)-4-((1-Methyl-6-nitroquinolin-4(1H)-ylidene)amino)-N-(4-((1-methylpyridin-4(1H)-ylidene)amino)phenyl)benzamide; 4-((1-Methyl-6-nitroquinolin-4(1H)-ylidene)amino)-N-(4-((1-methylpyridin-4(1H)-ylidene)amino)phenyl)benzamide; 4-[(1-methyl-6-nitro-4-quinolinylidene)amino]-N-[4-[(1-methyl-4-pyridinylidene)amino]phenyl]benzamide; 4-[(1-methyl-6-nitro-4-quinolylidene)amino]-N-[4-[(1-methyl-4-pyridylidene)amino]phenyl]benzamide; 4-[(1-methyl-6-nitro-quinolin-4-ylidene)amino]-N-[4-[(1-methylpyridin-4-ylidene)amino]phenyl]benzamide; 4-[(E)-(1-methyl-6-nitro-4-quinolylidene)amino]-N-[4-[(1-methyl-4-pyridylidene)amino]phenyl]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	260594	.	.	.	.	504.5	C29H24N6O3	106	1010	4.4	38	1	7	4	"InChI=1S/C29H24N6O3/c1-33-16-13-24(14-17-33)30-21-7-9-23(10-8-21)32-29(36)20-3-5-22(6-4-20)31-27-15-18-34(2)28-12-11-25(35(37)38)19-26(27)28/h3-19H,1-2H3,(H,32,36)"	CN1C=CC(=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N=C4C=CN(C5=C4C=C(C=C5)[N+](=O)[O-])C)C=C1	SDVVSJQTYKFAFR-UHFFFAOYSA-N
DG52167	"N,N'-bis(3-methoxyacridin-9-yl)hexane-1,6-diamine"	319095	"NSC260610; 67047-17-0; NSC 260610; NSC-260610; N,N'-bis(3-methoxyacridin-9-yl)hexane-1,6-diamine; NCIMech_000771; CHEMBL1999887; SCHEMBL13856936; DTXSID50217323; N(1),N(6)-Bis(3-methoxy-9-acridinyl)-1,6-hexanediamine; CCG-35875; NCI60_002081; DS-002135; N,N-bis(3-methoxyacridin-9-yl)hexane-1,6-diamine; 1,6-Hexanediamine, N,N'-bis(3-methoxy-9-acridinyl)-; N~1~,N~6~-Bis(3-methoxy-9-acridinyl)-1,6-hexanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	260610	.	.	.	.	530.7	C34H34N4O2	68.3	706	8.2	40	2	6	11	"InChI=1S/C34H34N4O2/c1-39-23-15-17-27-31(21-23)37-29-13-7-5-11-25(29)33(27)35-19-9-3-4-10-20-36-34-26-12-6-8-14-30(26)38-32-22-24(40-2)16-18-28(32)34/h5-8,11-18,21-22H,3-4,9-10,19-20H2,1-2H3,(H,35,37)(H,36,38)"	COC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NCCCCCCNC4=C5C=CC(=CC5=NC6=CC=CC=C64)OC	FLTPBXAPYZIIEV-UHFFFAOYSA-N
DG52168	"Phenol, 4-[[[4-[(phenylmethyl)amino]phenyl]methyl]thio]-"	319188	"NSC260922; CHEMBL1986639; ZINC401224; AKOS024325533; MCULE-6318466322; NSC-260922; NCI60_002085; 4-(4-BENZYLAMINO-BENZYLSULFANYL)-PHENOL; Phenol, 4-[[[4-[(phenylmethyl)amino]phenyl]methyl]thio]-; Phenyl, 4-[[[4-[(phenylmethyl)amino]phenyl]methyl]thio]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	260922	.	.	.	.	321.4	C20H19NOS	57.6	316	5.1	23	2	3	6	"InChI=1S/C20H19NOS/c22-19-10-12-20(13-11-19)23-15-17-6-8-18(9-7-17)21-14-16-4-2-1-3-5-16/h1-13,21-22H,14-15H2"	C1=CC=C(C=C1)CNC2=CC=C(C=C2)CSC3=CC=C(C=C3)O	FBKLCZPXKYOIAC-UHFFFAOYSA-N
DG52169	(2-(Benzyloxy)-4-methoxyphenyl)acetonitrile	319408	(2-(Benzyloxy)-4-methoxyphenyl)acetonitrile; NSC263601; 32884-25-6; NSC 263601; SCHEMBL6035647; CHEMBL1976329; DTXSID20186537; ZINC1558459; NSC-263601; (2-benzyloxy-4-methoxyphenyl)acetonitrile; NCI60_002107; 2-(2-benzyloxy-4-methoxy-phenyl)acetonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	263601	.	.	.	.	253.29	C16H15NO2	42.2	303	3	19	0	3	5	"InChI=1S/C16H15NO2/c1-18-15-8-7-14(9-10-17)16(11-15)19-12-13-5-3-2-4-6-13/h2-8,11H,9,12H2,1H3"	COC1=CC(=C(C=C1)CC#N)OCC2=CC=CC=C2	GHQVMARKZDBYKZ-UHFFFAOYSA-N
DG52170	"4H-[1]Benzopyrano[2,3-d]pyrimidin-4-one, 2,3-dihydro-2-phenyl-"	319428	"MLS002702109; 52218-08-3; NSC263637; CHEMBL1728761; SCHEMBL10817384; DTXSID10312848; NSC-263637; NCI60_002109; SMR001565677; DS-005344; 4H-[1]Benzopyrano[2, 2,3-dihydro-2-phenyl-; 4H-[1]Benzopyrano[2,3-d]pyrimidin-4-one, 2,3-dihydro-2-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	263637	.	.	.	.	276.29	C17H12N2O2	50.7	491	2.9	21	1	3	1	"InChI=1S/C17H12N2O2/c20-16-13-10-12-8-4-5-9-14(12)21-17(13)19-15(18-16)11-6-2-1-3-7-11/h1-10,15H,(H,18,20)"	C1=CC=C(C=C1)C2NC(=O)C3=CC4=CC=CC=C4OC3=N2	YHSNMJKVNPGZPI-UHFFFAOYSA-N
DG52171	"4,6-Dichloro[1,2,5]thiadiazolo[3,4-c]pyridine"	319592	"NSC264045; 4,6-Dichloro[1,2,5]thiadiazolo[3,4-c]pyridine; 4,6-dichloro-[1,2,5]thiadiazolo[3,4-c]pyridine; 500896-83-3; CHEMBL1984106; ZINC1558658; NSC-264045; NCI60_002113; DB-071104; FT-0734857"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	264045	.	.	.	.	206.05	C5HCl2N3S	66.9	159	2.6	11	0	4	0	InChI=1S/C5HCl2N3S/c6-3-1-2-4(5(7)8-3)10-11-9-2/h1H	C1=C(N=C(C2=NSN=C21)Cl)Cl	WAQHEBWTNUNSHC-UHFFFAOYSA-N
DG52172	Mexicanine E	319598	"Mexicanine E; MEXICANIN-E; NSC264054; CHEMBL2000938; DTXSID20974855; NSC-264054; NCI60_002114; 5-methyl-1-methylene-4,5,5a,8a,9,9a-hexahydro-3aH-azuleno[6,7-b]furan-2,8-dione; 8-Methyl-3-methylidene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione; Azuleno[6,5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-8-methyl-3-methylene-, [3aR-(3a.alpha.,4a.alpha.,7a.alpha.,8.beta.,9a.alpha.)]-; Azuleno[6,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-8-methyl-3-methylene-, [3aR-(3a.alpha.,4a.alpha.,7a.alpha.,8.alpha.,9a.alpha.)]-; Azuleno[6,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-8-methyl-3-methylene-, [3aR-(3a.alpha.,4a.alpha.,7a.alpha.,8.beta.,9a.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	264054	.	.	.	.	232.27	C14H16O3	43.4	435	2	17	0	3	0	"InChI=1S/C14H16O3/c1-7-5-13-10(8(2)14(16)17-13)6-11-9(7)3-4-12(11)15/h3-4,7,9-11,13H,2,5-6H2,1H3"	CC1CC2C(CC3C1C=CC3=O)C(=C)C(=O)O2	GQOWVFHMXITOCQ-UHFFFAOYSA-N
DG52173	1-Benzo[a]phenothiazin-12-yl-2-chloroethanone	319735	MLS003107250; NSC264938; CHEMBL1905686; ZINC1558828; NSC-264938; SMR001822124	.	.	Investigative Drug(s)	Investigative	Small molecular drug	264938	.	.	.	.	325.8	C18H12ClNOS	45.6	431	4.9	22	0	2	1	"InChI=1S/C18H12ClNOS/c19-11-17(21)20-14-7-3-4-8-15(14)22-16-10-9-12-5-1-2-6-13(12)18(16)20/h1-10H,11H2"	C1=CC=C2C(=C1)C=CC3=C2N(C4=CC=CC=C4S3)C(=O)CCl	PYOAVKHMCCKUIE-UHFFFAOYSA-N
DG52174	3-Phenyloxatriazol-3-ium-5-amine;chloride	319742	"NSC265204; 29185-33-9; CHEMBL2003176; DTXSID00312958; NSC-265204; 1,3,4-Oxatriazolium, 5-amino-3-phenyl-, chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	265204	.	.	.	.	198.61	C7H7ClN4O	68.8	148	.	13	1	5	1	"InChI=1S/C7H7N4O.ClH/c8-7-9-11(10-12-7)6-4-2-1-3-5-6;/h1-5H,(H2,8,9,10);1H/q+1;/p-1"	C1=CC=C(C=C1)[N+]2=NOC(=N2)N.[Cl-]	QYSDAYOVDDUVNM-UHFFFAOYSA-M
DG52175	Rhodirubin E	319748	"Rhodirubin E; NSC265211; NSC 265211; CHEMBL1997001; SCHEMBL22589743; NSC-265211; NCI60_002126; Replaced CAS registry number(s): 64256-11-7; 1-Naphthacenecarboxylic acid,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1 4)-O-2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1 4)-2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-,; 1-Naphthacenecarboxylic acid,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1.fwdarw.4)-2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-, methyl ester, (1R-(1.alpha.,2.beta.,4.beta.))-; 1-Naphthacenecarboxylic acid,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1.fwdarw.4)-2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-, methyl ester,[1R-(1.alpha.,2.beta.,4.beta.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	265211	.	.	.	.	845.9	C42H55NO17	261	1550	3	60	7	18	10	"InChI=1S/C42H55NO17/c1-8-42(53)15-26(30-19(34(42)41(52)54-7)11-20-31(37(30)50)38(51)33-23(45)10-9-22(44)32(33)36(20)49)58-27-12-21(43(5)6)39(17(3)56-27)59-29-14-25(47)40(18(4)57-29)60-28-13-24(46)35(48)16(2)55-28/h9-11,16-18,21,24-29,34-35,39-40,44-48,50,53H,8,12-15H2,1-7H3/t16 ,17 ,18 ,21 ,24 ,25 ,26-,27 ,28 ,29 ,34-,35 ,39 ,40 ,42+/m0/s1"	CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)O)O)N(C)C)O	VJRAUFKOOPNFIQ-XAYJNONASA-N
DG52176	Nogalomycin C	319846	"NOGALOMYCIN C; NSC265450; MLS002702111; Neuro_000126; CHEMBL153078; NSC-265450; NCI60_002130; SMR001565679; U 51204; 2,2-b]oxocin-9,16-dione, 11-[(6- deoxy 3-C-methyl-2,3,4-tri-O-methyl-.alpha.-L-manno pyranosyl)oxy]-4-(dimethylamino)- 3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy- 6,13-dimethyl-; 2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione, 11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-.alpha.-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-; dimethylamino-pentahydroxy-dimethyl-(3,4,5-trimethoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-[ ]dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	265450	.	.	.	.	729.8	C37H47NO14	203	1390	0.9	52	5	15	6	"InChI=1S/C37H47NO14/c1-14-31(46-7)37(4,48-9)32(47-8)34(49-14)50-19-13-35(2,45)12-15-10-16-21(26(41)20(15)19)27(42)22-18(39)11-17-29(23(22)25(16)40)51-33-28(43)24(38(5)6)30(44)36(17,3)52-33/h10-11,14,19,24,28,30-34,39,41,43-45H,12-13H2,1-9H3"	CC1C(C(C(C(O1)OC2CC(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C=C6C(=C5C4=O)OC7C(C(C(C6(O7)C)O)N(C)C)O)O)(C)O)OC)(C)OC)OC	NNEGMXMRXKXKMQ-UHFFFAOYSA-N
DG52177	"1,2,3,10-Tetrahydrocyclopenta[c][1,8]phenanthrolin-11-one"	319904	"NSC265959; 66262-74-6; DTXSID80313024; ZINC17061925; NSC-265959; 6H-Cyclopenta[c][1, 5,7,8,9-tetrahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	265959	.	.	.	.	236.27	C15H12N2O	42	415	1.9	18	1	2	0	"InChI=1S/C15H12N2O/c18-15-13-3-1-2-11(13)12-5-4-9-8-16-7-6-10(9)14(12)17-15/h4-8H,1-3H2,(H,17,18)"	C1CC2=C(C1)C(=O)NC3=C2C=CC4=C3C=CN=C4	MXLQFLFNRRWURU-UHFFFAOYSA-N
DG52178	"(1R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one"	319924	55164-60-8; MLS003107257; NSC266032; DTXSID70313033; NSC-266032	.	.	Investigative Drug(s)	Investigative	Small molecular drug	266032	.	.	.	.	156.14	C7H8O4	70.1	235	-1.1	11	2	4	1	"InChI=1S/C7H8O4/c8-3-7-5(10)2-1-4(9)6(7)11-7/h1-2,5-6,8,10H,3H2/t5-,6-,7+/m0/s1"	C1=CC(=O)[C@H]2[C@@]([C@H]1O)(O2)CO	GAGWCYWDAZARDD-LYFYHCNISA-N
DG52179	NSC266186	320031	"(2R,6S,7S,8R,10S,11S,12R,14S,16R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-16-prop-1-en-2-yl-14-trideca-1,3-dienyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one; Huratoxin; NSC266186; NCI60_002140"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	266186	.	.	.	.	584.7	C34H48O8	118	1210	5.7	42	3	8	12	"InChI=1S/C34H48O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-32-40-27-25-28-31(20-35,39-28)29(37)33(38)24(18-22(4)26(33)36)34(25,42-32)23(5)19-30(27,41-32)21(2)3/h14-18,23-25,27-29,35,37-38H,2,6-13,19-20H2,1,3-5H3/t23 ,24-,25-,27-,28+,29-,30-,31+,32-,33-,34 /m1/s1"	CCCCCCCCCC=CC=C[C@]12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H](C4(O1)C(C[C@@]3(O2)C(=C)C)C)C=C(C6=O)C)O)O)CO	VWGORPXMXKBHER-JROUCLGMSA-N
DG52180	Wln: L E6 C666 BV mvt&&&J DQ HQ H2 ivo1 OQ RQ FO-FT6otj B1 CQ DN1&1	320287	"NSC267229; CHEMBL1980284; SCHEMBL18593717; DTXSID40985362; NSC-267229; NCI60_002158; WLN: L E6 C666 BV MVT&&&J DQ HQ H2 IVO1 OQ RQ FO- FT6OTJ B1 CQ DN1&1; 1-Naphthacenecarboxylic acid,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, methyl ester, [1R-(1.alpha.,2.beta.,4.beta.)]-; Methyl 2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	267229	.	.	.	.	585.6	C30H35NO11	183	1050	3.3	42	5	12	6	"InChI=1S/C30H35NO11/c1-6-30(39)11-18(42-19-10-15(31(3)4)25(34)12(2)41-19)20-13(24(30)29(38)40-5)9-14-21(27(20)36)28(37)23-17(33)8-7-16(32)22(23)26(14)35/h7-9,12,15,18-19,24-25,32-34,36,39H,6,10-11H2,1-5H3/t12 ,15 ,18-,19 ,24-,25 ,30+/m0/s1"	CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)O)N(C)C)O	ZJBMQVPEJHVSQA-KNYUDZPRSA-N
DG52181	"2,3-Dichloro-5,6,7,8-tetrahydronaphthalene-1,4-diol"	320303	"16368-83-5; NSC267319; 2,3-dichloro-5,6,7,8-tetrahydronaphthalene-1,4-diol; CHEMBL1972416; DTXSID50313197; ZINC5439167; NSC-267319; NCI60_002161"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	267319	.	.	.	.	233.09	C10H10Cl2O2	40.5	190	3.8	14	2	2	0	"InChI=1S/C10H10Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h13-14H,1-4H2"	C1CCC2=C(C1)C(=C(C(=C2O)Cl)Cl)O	VLJRBJNOZLTGRU-UHFFFAOYSA-N
DG52182	Resibufogenin derivative	320371	"NSC267712; Resibufogenin derivative; NSC-267712; RESIBUFOGENIN, METHACRYLATE DERIV; NCI60_002167"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	267712	.	.	.	.	452.6	C28H36O5	65.099	979	5.3	33	0	5	4	"InChI=1S/C28H36O5/c1-16(2)25(30)32-19-9-11-26(3)18(13-19)6-7-21-20(26)10-12-27(4)22(14-23-28(21,27)33-23)17-5-8-24(29)31-15-17/h5,8,15,18-23H,1,6-7,9-14H2,2-4H3"	CC(=C)C(=O)OC1CCC2(C(C1)CCC3C2CCC4(C35C(O5)CC4C6=COC(=O)C=C6)C)C	NBLRISMPFJBPGB-UHFFFAOYSA-N
DG52183	"N-[2-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]-4-nitrobenzenesulfonamide"	320647	"94037-48-6; NSC268907; CHEMBL2006541; DTXSID00313324; ZINC1559915; N-[2-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]-4-nitrobenzenesulfonamide; NSC-268907; NCI60_002177; Benzenesulfonamide,6-diamino-1,3,5-triazin-2-yl)phenyl]-4-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	268907	.	.	.	.	387.4	C15H13N7O4S	191	605	1.3	27	3	10	4	"InChI=1S/C15H13N7O4S/c16-14-18-13(19-15(17)20-14)11-3-1-2-4-12(11)21-27(25,26)10-7-5-9(6-8-10)22(23)24/h1-8,21H,(H4,16,17,18,19,20)"	C1=CC=C(C(=C1)C2=NC(=NC(=N2)N)N)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]	PPXBIGZLUXRESK-UHFFFAOYSA-N
DG52184	Scirpentriol	320696	"Scirpentriol; NSC269142; Scirpene-3,4,15-triol; ANGUIDINE DERIV SCIRPENTRIOL; BL 5731; 2270-41-9; Scirpene-3,15-triol; SCHEMBL23042154; NSC-269142; NCI60_002186; Trichothec-9-ene-3,15-triol, 12,13-epoxy-, (3.alpha.,4.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269142	.	.	.	.	282.33	C15H22O5	82.4	491	-1	20	3	5	1	"InChI=1S/C15H22O5/c1-8-3-4-14(6-16)9(5-8)20-12-10(17)11(18)13(14,2)15(12)7-19-15/h5,9-12,16-18H,3-4,6-7H2,1-2H3/t9-,10-,11-,12-,13-,14-,15-/m1/s1"	CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)O)C)CO	PXEBOIUZEXXBGH-GTJZFRISSA-N
DG52185	7-O-Methylnogarol	320697	"MENOGARIL; NSC269148; 7-O-METHYLNOGAROL; 71628-96-1; 7-0-methylnogarol; SCHEMBL1651790; dimethylamino-pentahydroxy-methoxy-dimethyl-[ ]dione; 2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione, 4-(dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-, (2R,3S,4R,5R,6R,11R,13R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269148	.	.	.	.	541.5	C28H31NO10	166	1020	0.8	39	5	11	2	"InChI=1S/C28H31NO10/c1-27(36)8-10-6-11-16(21(32)15(10)14(9-27)37-5)22(33)17-13(30)7-12-24(18(17)20(11)31)38-26-23(34)19(29(3)4)25(35)28(12,2)39-26/h6-7,14,19,23,25-26,30,32,34-36H,8-9H2,1-5H3/t14-,19-,23-,25+,26 ,27+,28 /m0/s1"	C[C@@]1(C[C@@H](C2=C(C3=C(C=C2C1)C(=O)C4=C5C(=CC(=C4C3=O)O)C6([C@@H]([C@H]([C@@H](C(O5)O6)O)N(C)C)O)C)O)OC)O	LWYJUZBXGAFFLP-FEMZJCMLSA-N
DG52186	"Thalicberine, O-methyl"	320712	"THALICBERINE, O-METHYL; 19879-44-8; 10,14,15,26-tetramethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecaene; (-)-O-Methylisothalicberine; CHEMBL2005418; NSC269189; NSC374609; STL565438; THALICBERINE,(-)-O-METHYLISO; AKOS037623529; MCULE-1397105564; NSC-269189; NSC-374609; NCI60_002192; 10,14,15,26-tetramethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1~7,11~.1~13,17~.1~23,27~.0~3,8~.0~21,35~]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecaene (non-p"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269189	.	.	.	.	622.7	C38H42N2O6	61.9	979	6.7	46	0	8	4	"InChI=1S/C38H42N2O6/c1-39-15-13-25-20-34-32(42-4)22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3"	CN1CCC2=CC3=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC	UUURWWVPMHAACP-UHFFFAOYSA-N
DG52187	8-Trichloromethyldihydroberberine	320713	"50932-22-4; NSC269192; dimethoxy(trichloromethyl)[ ]; CHEMBL396263; 8-Trichloromethyldihydroberberine; SCHEMBL12329060; DTXSID80313347; 8-Trichloromethyl-7,8-dihydroberberine; NSC-269192; 6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine, 5,8-dihydro-9,10-dimethoxy-8-(trichloromethyl)-; NCI60_002194; TRICHLOROMETHYLDIHYDROBERBRINE, 8-; 9,10-Dimethoxy-8-(trichloromethyl)-5,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269192	.	.	.	.	454.7	C21H18Cl3NO4	40.2	656	5.4	29	0	5	2	"InChI=1S/C21H18Cl3NO4/c1-26-15-4-3-12-7-14-13-9-17-16(28-10-29-17)8-11(13)5-6-25(14)20(21(22,23)24)18(12)19(15)27-2/h3-4,7-9,20H,5-6,10H2,1-2H3"	COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2C(Cl)(Cl)Cl)OCO5)OC	CAGHPRDTHLKFCW-UHFFFAOYSA-N
DG52188	3-Oxoestr-4-en-17-yl (2-chloroethyl)nitrosocarbamate	320801	DTXSID20968855; NSC269719; NSC-269719; 3-Oxoestr-4-en-17-yl (2-chloroethyl)nitrosocarbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269719	.	.	.	.	408.9	C21H29ClN2O4	76	696	3.5	28	0	5	4	"InChI=1S/C21H29ClN2O4/c1-21-9-8-16-15-5-3-14(25)12-13(15)2-4-17(16)18(21)6-7-19(21)28-20(26)24(23-27)11-10-22/h12,15-19H,2-11H2,1H3/t15-,16+,17+,18-,19-,21-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)N(CCCl)N=O)CCC4=CC(=O)CC[C@H]34	KTQUNVRSLAGBSY-RRFJAZBJSA-N
DG52189	NSC269720	320802	"[(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] N-(2-chloroethyl)-N-nitrosocarbamate; NSC269720; 54025-21-7; DTXSID20313381; ZINC5440296; NSC-269720"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269720	.	.	.	.	425	C22H33ClN2O4	76	688	4.6	29	0	5	4	"InChI=1S/C22H33ClN2O4/c1-21-9-7-15(29-20(27)25(24-28)12-11-23)13-14(21)3-4-16-17-5-6-19(26)22(17,2)10-8-18(16)21/h14-18H,3-13H2,1-2H3/t14-,15+,16-,17-,18-,21-,22-/m0/s1"	C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)OC(=O)N(CCCl)N=O	FULFKXIGCUQZJE-WSKGSGNSSA-N
DG52190	NSC269721	320803	"[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] N-(2-chloroethyl)-N-nitrosocarbamate; NSC269721; 54025-35-3; DTXSID80313382; ZINC5440298; NSC-269721"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269721	.	.	.	.	425	C22H33ClN2O4	76	688	4.5	29	0	5	4	"InChI=1S/C22H33ClN2O4/c1-21-9-7-15(26)13-14(21)3-4-16-17-5-6-19(22(17,2)10-8-18(16)21)29-20(27)25(24-28)12-11-23/h14,16-19H,3-13H2,1-2H3/t14-,16-,17-,18-,19-,21-,22-/m0/s1"	C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)N(CCCl)N=O)C	SALYBQYJYPDVQY-GRPBBMKTSA-N
DG52191	NSC270046	320908	"5-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-(2-hydroxypropan-2-yl)oxan-3-ol; SAPELIN A; 26790-93-2; CHEMBL1992522; NSC270046; NSC-270046; NCI60_002203"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	270046	.	.	.	.	474.7	C30H50O4	69.9	847	6.1	34	3	4	2	"InChI=1S/C30H50O4/c1-26(2)23-9-8-21-20(28(23,5)13-12-24(26)32)11-15-29(6)19(10-14-30(21,29)7)18-16-22(31)25(34-17-18)27(3,4)33/h8,18-20,22-25,31-33H,9-17H2,1-7H3"	CC1(C(CCC2(C1CC=C3C2CCC4(C3(CCC4C5CC(C(OC5)C(C)(C)O)O)C)C)C)O)C	YHJGJKRPDMVIKU-UHFFFAOYSA-N
DG52192	Hydroxypristimerin	320914	Hydroxypristimerin; NSC270057; 73246-54-5; HYDROXY-PRISTIMERIN; CHEMBL1985284; DTXSID40313429; NSC-270057; NCI60_002205	.	.	Investigative Drug(s)	Investigative	Small molecular drug	270057	.	.	.	.	480.6	C30H40O5	83.8	1160	5.7	35	2	5	2	"InChI=1S/C30H40O5/c1-17-18-8-9-21-27(3,19(18)14-20(31)24(17)33)11-13-30(6)22-15-28(4,25(34)35-7)23(32)16-26(22,2)10-12-29(21,30)5/h8-9,14,22-23,32-33H,10-13,15-16H2,1-7H3"	CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(C(C5)O)(C)C(=O)OC)C)C)C)C)O	HDIIUCVOZICRAQ-UHFFFAOYSA-N
DG52193	"4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine"	321194	"NSC270737; MLS000756607; 4-(4-methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine; 2-(3-(Hydroxy(oxido)amino)phenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine; 315697-39-3; NSC-270737; CHEMBL1412519; HMS2886I04; AKOS001484372; MCULE-3901448450; NCI60_002215; SMR000528819; F1031-0001; 2-(3-nitrophenyl)-4-(p-tolyl)-2,3-dihydro-1,5-benzothiazepine; 2-(3-nitrophenyl)-4-(p-tolyl)-2,3-dihydrobenzo[b][1,4]thiazepine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	270737	.	.	.	.	374.5	C22H18N2O2S	83.5	553	5.3	27	0	4	2	"InChI=1S/C22H18N2O2S/c1-15-9-11-16(12-10-15)20-14-22(17-5-4-6-18(13-17)24(25)26)27-21-8-3-2-7-19(21)23-20/h2-13,22H,14H2,1H3"	CC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C4=CC(=CC=C4)[N+](=O)[O-]	PFFYFNYHJJAZOY-UHFFFAOYSA-N
DG52194	"2-(4-(Hydroxy(oxido)amino)phenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine"	321195	"60246-87-9; 2-(4-(Hydroxy(oxido)amino)phenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine; 2-(4-nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine; NSC270738; MLS000756608; CHEMBL1594358; NSC 270738; SCHEMBL20797920; BDBM91643; BDBM50004696; Dihydro-1,5-benzothiazepine analog, 5; MCULE-3135577509; NSC-270738; NCGC00246778-01; SMR000528820; 2,3-Dihydro-2-(4-nitrophenyl)-4-phenyl-1,5-benzothiazepine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	270738	.	.	.	.	360.4	C21H16N2O2S	83.5	519	4.9	26	0	4	2	"InChI=1S/C21H16N2O2S/c24-23(25)17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)22-18-8-4-5-9-20(18)26-21/h1-13,21H,14H2"	C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]	HCOVSUWQMKZWAW-UHFFFAOYSA-N
DG52195	"12-Methoxy-3-(4-nitrophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-ol"	321301	NSC271271; 71007-75-5; CHEMBL1999358; DTXSID30313514; ZINC1561008; NSC-271271	.	.	Investigative Drug(s)	Investigative	Small molecular drug	271271	.	.	.	.	351.4	C19H17N3O4	93.1	506	3.8	26	1	5	2	"InChI=1S/C19H17N3O4/c1-26-18-9-12-3-2-4-13-11-20-21(19(13)16(12)10-17(18)23)14-5-7-15(8-6-14)22(24)25/h5-11,23H,2-4H2,1H3"	COC1=C(C=C2C(=C1)CCCC3=C2N(N=C3)C4=CC=C(C=C4)[N+](=O)[O-])O	JRBOEBVEVHDCDD-UHFFFAOYSA-N
DG52196	"ethyl N-[2-(4-chlorophenyl)sulfanyl-1,3-benzothiazol-6-yl]carbamate"	321836	"NSC275971; MLS000756615; CHEMBL1448356; SCHEMBL15413328; ZINC1562588; ethyl N-[2-(4-chlorophenyl)sulfanyl-1,3-benzothiazol-6-yl]carbamate; NSC-275971; SMR000528824; Ethyl 2-((4-chlorophenyl)thio)-1,3-benzothiazol-6-ylcarbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	275971	.	.	.	.	364.9	C16H13ClN2O2S2	105	408	5.4	23	1	5	5	"InChI=1S/C16H13ClN2O2S2/c1-2-21-15(20)18-11-5-8-13-14(9-11)23-16(19-13)22-12-6-3-10(17)4-7-12/h3-9H,2H2,1H3,(H,18,20)"	CCOC(=O)NC1=CC2=C(C=C1)N=C(S2)SC3=CC=C(C=C3)Cl	AMNADWIXFLTXEV-UHFFFAOYSA-N
DG52197	"[1-(4-butylphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate"	321869	"64618-57-1; NSC276361; CHEMBL1966756; DTXSID30313736; ZINC1562624; NSC-276361; [1-(4-butylphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate; NCI60_002247; 1H-Pyrrole-3, 1-(4-butylphenyl)-2,5-dimethyl-, bis(methylcarbamate) (ester); 1H-Pyrrole-3, 1-(4-butylphenyl)-2,5-dimethyl-,bis(methylcarbamate) (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	276361	.	.	.	.	401.5	C22H31N3O4	81.6	490	4	29	2	4	10	"InChI=1S/C22H31N3O4/c1-6-7-8-17-9-11-18(12-10-17)25-15(2)19(13-28-21(26)23-4)20(16(25)3)14-29-22(27)24-5/h9-12H,6-8,13-14H2,1-5H3,(H,23,26)(H,24,27)"	CCCCC1=CC=C(C=C1)N2C(=C(C(=C2C)COC(=O)NC)COC(=O)NC)C	OJPMBLRAELYHST-UHFFFAOYSA-N
DG52198	"[1-(4-bromophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate"	321870	"64618-26-4; NSC276362; CHEMBL1967157; DTXSID90313737; ZINC1562625; NSC-276362; [1-(4-bromophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate; NCI60_002248; 1H-Pyrrole-3, 1-(4-bromophenyl)-2,5-dimethyl-, bis(methylcarbamate) (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	276362	.	.	.	.	424.3	C18H22BrN3O4	81.6	453	2.8	26	2	4	7	"InChI=1S/C18H22BrN3O4/c1-11-15(9-25-17(23)20-3)16(10-26-18(24)21-4)12(2)22(11)14-7-5-13(19)6-8-14/h5-8H,9-10H2,1-4H3,(H,20,23)(H,21,24)"	CC1=C(C(=C(N1C2=CC=C(C=C2)Br)C)COC(=O)NC)COC(=O)NC	NOXVZSNBOAHZRU-UHFFFAOYSA-N
DG52199	"Formamide,3-dimethyl-1-triazenyl)phenyl]-"	321881	"NSC276376; 2313-85-1; CHEMBL1979203; ZINC18010728; ZINC104193274; NSC-276376; NCI60_002250; Formamide,3-dimethyl-1-triazenyl)phenyl]-; 5219-26-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	276376	.	.	.	.	192.22	C9H12N4O	57.1	197	1.8	14	1	4	3	"InChI=1S/C9H12N4O/c1-13(2)12-11-9-5-3-8(4-6-9)10-7-14/h3-7H,1-2H3,(H,10,14)"	CN(C)N=NC1=CC=C(C=C1)NC=O	JYMLVQVXQJFHRZ-UHFFFAOYSA-N
DG52200	Cinnamodial B812927K060	321973	NSC277293; CINNAMODIAL B812927K060; CHEMBL1988492; NCI60_002257	.	.	Investigative Drug(s)	Investigative	Small molecular drug	277293	.	.	.	.	308.4	C17H24O5	80.7	535	2.3	22	1	5	4	"InChI=1S/C17H24O5/c1-11(20)22-13-8-12(9-18)17(21,10-19)16(4)7-5-6-15(2,3)14(13)16/h8-10,13-14,21H,5-7H2,1-4H3"	CC(=O)OC1C=C(C(C2(C1C(CCC2)(C)C)C)(C=O)O)C=O	UKLMEFSRPRDOLD-UHFFFAOYSA-N
DG52201	Toxin HT 2	322238	"HT-2 Toxin; HT 2 Toxin; Toxin HT 2; T-2, Toxin analog; 26934-87-2; TOXIN HT2; CHEMBL1996430; ZINC4081735; NSC278571; NSC-278571; NCI60_002267; C19952; Trichothec-9-ene-3.alpha.,8.alpha.,15-tetrol, 12,13-epoxy-, 15-acetate 8-isovalerate; Trichothec-9-ene-3.alpha.,8.alpha.,15-tetrol, 12,13-epoxy-, 15-acetate, 8-isovalerate; Trichothen-9-ene-3,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-methylbutanoate); Trichothec-9-ene-3,8,15-tetrol, 12,13-epoxy-, 15 acetate 8-(3-methylbutanoate), (3.alpha.,4a.beta.,8.alpha.)-; Trichothec-9-ene-3,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-methylbutanoate), (3.alpha.,4.beta.,8.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	278571	.	.	.	.	424.5	C22H32O8	115	777	0.4	30	2	8	7	"InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22+/m0/s1"	CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)O)C)COC(=O)C	PNKLMTPXERFKEN-ZIOSACBISA-N
DG52202	"Methyl 1,11,12-trihydroxy-15-[(3-methylbutanoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate"	322357	"NSC-279503; Neuro_000141; CHEMBL1979791; DTXSID20973202; NSC279503; NCI60_002273; Methyl 1,11,12-trihydroxy-15-[(3-methylbutanoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate; Picras-3-en-21-oic acid,20-epoxy-1,11,12-trihydroxy-15-(3-methyl-1-oxobutoxy)-2,16-dioxo-, methyl ester, (1.beta.,11.beta.,12.alpha.,15.beta.)-; Picras-4-en-21-oic acid,20-epoxy-1,11,12-trihydroxy-15-(3-methyl-1-oxobutoxy)-2,16-dioxo-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	279503	.	.	.	.	522.5	C26H34O11	166	1080	0.3	37	3	11	6	"InChI=1S/C26H34O11/c1-10(2)6-15(28)37-17-19-25-9-35-26(19,23(33)34-5)21(31)16(29)18(25)24(4)12(8-14(25)36-22(17)32)11(3)7-13(27)20(24)30/h7,10,12,14,16-21,29-31H,6,8-9H2,1-5H3"	CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)OC)O)O)C)O	NTBOLWMPXFGUHO-UHFFFAOYSA-N
DG52203	2-[N-(2-methylsulfonyloxyethyl)-4-[(E)-[4-[2-(phenoxymethyl)thiazol-4-yl]phenyl]iminomethyl]anilino]ethyl methanesulfonate	322463	"NSC280074; CHEMBL2001854; ZINC73371371; ZINC104145084; NSC-280074; NCI60_002278; 2-[N-(2-methylsulfonyloxyethyl)-4-[(E)-[4-[2-(phenoxymethyl)thiazol-4-yl]phenyl]iminomethyl]anilino]ethyl methanesulfonate; Ethanol, 2,2'-[[4-[[[4-[2-(phenoxymethyl)-4-thiazolyl]phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester); Ethanol,2'-[[4-[[[4-[2-(phenoxymethyl)-4-thiazolyl]phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	280074	.	.	.	.	629.8	C29H31N3O7S3	170	988	4.4	42	0	11	15	"InChI=1S/C29H31N3O7S3/c1-41(33,34)38-18-16-32(17-19-39-42(2,35)36)26-14-8-23(9-15-26)20-30-25-12-10-24(11-13-25)28-22-40-29(31-28)21-37-27-6-4-3-5-7-27/h3-15,20,22H,16-19,21H2,1-2H3"	CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=CSC(=N3)COC4=CC=CC=C4	XLLDEPOMEUPDBU-UHFFFAOYSA-N
DG52204	"2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone"	322770	"72848-60-3; NSC280893; 2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone; NSC 280893; CHEMBL1994793; NSC-280893; DS-003932; 2-bromo-2-(p-tolylsulfonylmethyl)tetralin-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	280893	.	.	.	.	393.3	C18H17BrO3S	59.6	545	4	23	0	3	3	"InChI=1S/C18H17BrO3S/c1-13-6-8-15(9-7-13)23(21,22)12-18(19)11-10-14-4-2-3-5-16(14)17(18)20/h2-9H,10-12H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)CC2(CCC3=CC=CC=C3C2=O)Br	HLFWFYVMWBSMLM-UHFFFAOYSA-N
DG52205	"N-[2-(1-azepanyl)-1,3-benzothiazol-6-yl]carbamic acid ethyl ester"	322919	"MLS000756633; NSC281383; ethyl N-[2-(azepan-1-yl)-1,3-benzothiazol-6-yl]carbamate; SMR000528832; N-[2-(1-azepanyl)-1,3-benzothiazol-6-yl]carbamic acid ethyl ester; cid_322919; CHEMBL1405940; BDBM76585; CHEBI:112424; HMS2884P07; ZINC1563973; NSC-281383; Ethyl 2-(1-azepanyl)-1,3-benzothiazol-6-ylcarbamate; Q27192528; N-[2-(azepan-1-yl)-1,3-benzothiazol-6-yl]carbamic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281383	.	.	.	.	319.4	C16H21N3O2S	82.7	374	4	22	1	5	4	"InChI=1S/C16H21N3O2S/c1-2-21-16(20)17-12-7-8-13-14(11-12)22-15(18-13)19-9-5-3-4-6-10-19/h7-8,11H,2-6,9-10H2,1H3,(H,17,20)"	CCOC(=O)NC1=CC2=C(C=C1)N=C(S2)N3CCCCCC3	ULJXJASKIKRWKU-UHFFFAOYSA-N
DG52206	Dimethane sulfonate	322931	"Dimethane sulfonate; UNII-96B0BRI1JU; 56967-08-9; NSC-281612; 96B0BRI1JU; Benzaldehyde, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-2-methyl-; Benzaldehyde, 4-(bis(2-((methylsulfonyl)oxy)ethyl)amino)-2-methyl-; DMS612; DMS 612; DMS-612; NSC281612; NSC 281612; SCHEMBL1298904; CHEMBL1992975; DTXSID60205539; ZINC1563988; NCI60_002292; Q27271898; 4-[bis[2-[(methylsulfonyl)-oxy]ethyl]amino]-2-methyl-benzaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281612	.	.	.	.	379.5	C14H21NO7S2	124	554	0.7	24	0	8	10	"InChI=1S/C14H21NO7S2/c1-12-10-14(5-4-13(12)11-16)15(6-8-21-23(2,17)18)7-9-22-24(3,19)20/h4-5,10-11H,6-9H2,1-3H3"	CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=O	CQVKMVQRSNNAGO-UHFFFAOYSA-N
DG52207	"Ethanol,2'-[[4-[[[3-chloro-4-(2-phenyl-4-thiazolyl)phenyl]imino]methyl]-3-methylphenyl]imino]bis-, dimethanesulfonate (ester)"	322932	"NSC281613; CHEMBL1992039; ZINC82190406; ZINC150384785; CCG-102479; NSC-281613; NCI60_002293; Ethanol,2'-[[4-[[[3-chloro-4-(2-phenyl-4-thiazolyl)phenyl]imino]methyl]-3-methylphenyl]imino]bis-, dimethanesulfonate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281613	.	.	.	.	648.2	C29H30ClN3O6S3	160	1040	5.5	42	0	10	13	"InChI=1S/C29H30ClN3O6S3/c1-21-17-25(33(13-15-38-41(2,34)35)14-16-39-42(3,36)37)11-9-23(21)19-31-24-10-12-26(27(30)18-24)28-20-40-29(32-28)22-7-5-4-6-8-22/h4-12,17-20H,13-16H2,1-3H3"	CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=NC2=CC(=C(C=C2)C3=CSC(=N3)C4=CC=CC=C4)Cl	NKYUHUFTMFORQF-UHFFFAOYSA-N
DG52208	NSC281617	322935	"2-[4-[(E)-[4-(2-benzyl-5-methyl-thiazol-4-yl)phenyl]iminomethyl]-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate; NSC281617; CHEMBL1988942; ZINC82186278; ZINC150384786; NSC-281617; NCI60_002295; 2-[4-[(E)-[4-(2-benzyl-5-methyl-thiazol-4-yl)phenyl]iminomethyl]-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate; Ethanol, 2,2'[[3-methyl-4-[[[4-[5-methyl-2-(phenylmethyl)-4-thiazolyl]phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester); Ethanol,2'-[[3-methyl-4-[[[4-[5-methyl-2-(phenylmethyl)-4-thiazolyl]phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester); Ethanol,2'[[3-methyl-4-[[[4-[5-methyl-2-(phenylmethyl)-4-thiazolyl]phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281617	.	.	.	.	641.8	C31H35N3O6S3	160	1040	5.6	43	0	10	14	"InChI=1S/C31H35N3O6S3/c1-23-20-29(34(16-18-39-42(3,35)36)17-19-40-43(4,37)38)15-12-27(23)22-32-28-13-10-26(11-14-28)31-24(2)41-30(33-31)21-25-8-6-5-7-9-25/h5-15,20,22H,16-19,21H2,1-4H3"	CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=NC2=CC=C(C=C2)C3=C(SC(=N3)CC4=CC=CC=C4)C	PCMRUMCRHVAFDB-UHFFFAOYSA-N
DG52209	Prima-1	322968	"prima-1; 5608-24-2; NSC281668; NSC-281668; 2,2-Bis(hydroxymethyl)-3-quinuclidinone; PRIMA 1; 2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one; PRIMA1; 2,2-bis(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-one; UNII-GHC34M30BG; GHC34M30BG; 2,2-bis(hydroxymethyl)quinuclidin-3-one; MLS003115529; SR-01000597545; NSC 281668; Tocris-1862; PRIMA 1;PRIMA1; NCIStruc1_000254; NCIStruc2_000301; BSPBio_001426; KBioGR_000146; KBioSS_000146; SCHEMBL821037; CHEMBL186872; 2,2-Bishydroxymethyl-1-aza-bicyclo[2.2.2]octan-3-one; CHEBI:94995; KBio2_000146; KBio2_002714; KBio2_005282; KBio3_000291; KBio3_000292; DTXSID50204637; Bio2_000146; Bio2_000626; GR333; HMS1361H08; HMS1791H08; HMS1989H08; HMS3268K18; HMS3402H08; HMS3412L12; HMS3649I15; HMS3676L12; BCP26191; EX-A2742; 1997AH; CCG-38318; HY-19980A; MFCD04974196; MFCD19199989; NCGC00014637; NCI281668; ZINC55669662; 2,2bis(hydroxymethyl)-3quinuclidinone; 2-Bis(hydroxymethyl)-3-quinuclidinone; AKOS006292956; CCG-266469; CS-5886; 3-Quinuclidinone,2-bis(hydroxymethyl)-; IDI1_033896; NCGC00014637-02; NCGC00014637-03; NCGC00014637-04; NCGC00014637-05; NCGC00014637-06; NCGC00014637-07; NCGC00025313-01; NCGC00025313-02; NCGC00025313-03; NCGC00025313-04; NCGC00025313-05; NCGC00097740-01; PRIMA-1, >=98% (HPLC), solid; AC-32663; BS-17245; NCI60_002297; SMR001831104; S7723; C75635; SR-01000597545-1; SR-01000597545-3; Q27166756; 1-Azabicyclo[2.2.2]octan-3-one,2-bis(hydroxymethyl)-; 2,2-Bis(Hydroxymethyl)-3-Quinuclidinone; 2,2-Dimethylolquinuclidin-3-One"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281668	.	.	.	.	185.22	C9H15NO3	60.8	217	-0.6	13	2	4	2	"InChI=1S/C9H15NO3/c11-5-9(6-12)8(13)7-1-3-10(9)4-2-7/h7,11-12H,1-6H2"	C1CN2CCC1C(=O)C2(CO)CO	RFBVBRVVOPAAFS-UHFFFAOYSA-N
DG52210	"Ethanol,2'-[[4-[[[4-[2-(4-bromophenyl)-4-thiazolyl]phenyl]imino]methyl]-3-methylphenyl]imino]bis-, dimethanesulfonate (ester)"	323078	"CHEMBL1998378; NSC281817; ZINC82195604; ZINC150390133; NSC-281817; NCI60_002301; Ethanol,2'-[[4-[[[4-[2-(4-bromophenyl)-4-thiazolyl]phenyl]imino]methyl]-3-methylphenyl]imino]bis-, dimethanesulfonate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281817	.	.	.	.	692.7	C29H30BrN3O6S3	160	1030	5.6	42	0	10	13	"InChI=1S/C29H30BrN3O6S3/c1-21-18-27(33(14-16-38-41(2,34)35)15-17-39-42(3,36)37)13-8-24(21)19-31-26-11-6-22(7-12-26)28-20-40-29(32-28)23-4-9-25(30)10-5-23/h4-13,18-20H,14-17H2,1-3H3"	CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=NC2=CC=C(C=C2)C3=CSC(=N3)C4=CC=C(C=C4)Br	KBRGCCAKPJPXER-UHFFFAOYSA-N
DG52211	"Ethanol,2'-[[3-methyl-4-[[[4-[2-(4-propoxyphenyl]-4-thiazolyl]phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester)"	323079	"NSC281818; CHEMBL1985380; ZINC82186114; ZINC150390137; NSC-281818; NCI60_002302; Ethanol,2'-[[3-methyl-4-[[[4-[2-(4-propoxyphenyl]-4-thiazolyl]phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281818	.	.	.	.	671.9	C32H37N3O7S3	170	1070	5.8	45	0	11	16	"InChI=1S/C32H37N3O7S3/c1-5-18-40-30-14-9-26(10-15-30)32-34-31(23-43-32)25-6-11-28(12-7-25)33-22-27-8-13-29(21-24(27)2)35(16-19-41-44(3,36)37)17-20-42-45(4,38)39/h6-15,21-23H,5,16-20H2,1-4H3"	CCCOC1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)N=CC4=C(C=C(C=C4)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C	NBULMAMEEBHKSZ-UHFFFAOYSA-N
DG52212	Ethyl 3-[3-(3-ethoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate	323109	"60521-72-4; Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate); NSC281929; ethyl 3-[3-(3-ethoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate; CHEMBL1971536; DTXSID40314299; ZINC1564252; AKOS004900792; NSC-281929; NCI60_002305; 3,3'-(1,3-Phenylene)bis(propynoic acid ethyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281929	.	.	.	.	270.28	C16H14O4	52.6	436	3.5	20	0	4	6	"InChI=1S/C16H14O4/c1-3-19-15(17)10-8-13-6-5-7-14(12-13)9-11-16(18)20-4-2/h5-7,12H,3-4H2,1-2H3"	CCOC(=O)C#CC1=CC(=CC=C1)C#CC(=O)OCC	RZFLPKWJWSIJBL-UHFFFAOYSA-N
DG52213	2-Amino-5-methylbenzenethiol	323260	"2-amino-5-methylbenzenethiol; 23451-96-9; Benzenethiol, 2-amino-5-methyl-; 2-amino-5-methylthiophenol; 2-amino-5-methyl-benzenethiol; 5-Methyl-2-aminobenzenethiol; Thiotoluidin; 2-aminobenzothiol; NSC282150; 2-amino-5-methylbenzenthiol; 2-azanyl-5-methyl-benzenethiol; SCHEMBL1983476; CHEMBL1971557; 2-amino-5-methylbenzene-1-thiol; DTXSID30314369; ZINC1564425; MFCD11869010; STL355323; AKOS005062059; AS-6467; AT19639; MCULE-7146736809; NSC-282150; BENZENETHIOL,2-AMINO-5-METHYL-; NCI60_002313; DB-027781; AM20030406; FT-0648900; 10.14272/VUMZNLOQJGKGNE-UHFFFAOYSA-N.1; A816727; doi:10.14272/VUMZNLOQJGKGNE-UHFFFAOYSA-N.1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	282150	.	.	.	.	139.22	C7H9NS	27	94.9	1.5	9	2	2	0	"InChI=1S/C7H9NS/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3"	CC1=CC(=C(C=C1)N)S	VUMZNLOQJGKGNE-UHFFFAOYSA-N
DG52214	Carnosol O-quinone	323275	"CARNOSOL O-QUINONE; NSC282173; isopropyl(dimethyl)[ ]trione; CHEMBL2004824; NSC-282173; NCI60_002315; 2H-9,4a-(Epoxymethano)phenanthrene-5,6,12-trione, 1,3,4,9,10,10a-hexahydro-1,1-dimethyl-7-(1-methylethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	282173	.	.	.	.	328.4	C20H24O4	60.4	737	3.1	24	0	4	1	"InChI=1S/C20H24O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14H,5-7,9H2,1-4H3"	CC(C)C1=CC2=C(C(=O)C1=O)C34CCCC(C3CC2OC4=O)(C)C	MWAYCDXOVYWQPR-UHFFFAOYSA-N
DG52215	"Acetamide, N-[3-(3,4-dichlorophenyl)-1-(6-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)propyl]-"	323364	"MLS003115551; 71856-94-5; NSC282885; CHEMBL1881977; SCHEMBL10742491; SCHEMBL16749034; DTXSID90314421; NSC-282885; SMR001831125; Acetamide,4-dichlorophenyl)-1-(6-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)propyl]-; Acetamide, N-[3-(3,4-dichlorophenyl)-1-(6-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)propyl]-; N-[3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxo-cyclohepta-1,4,6-trien-1-yl)propyl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	282885	.	.	.	.	366.2	C18H17Cl2NO3	66.4	583	3.7	24	2	3	5	"InChI=1S/C18H17Cl2NO3/c1-11(22)21-16(13-3-2-4-17(23)18(24)10-13)8-6-12-5-7-14(19)15(20)9-12/h2-5,7,9-10,16H,6,8H2,1H3,(H,21,22)(H,23,24)"	CC(=O)NC(CCC1=CC(=C(C=C1)Cl)Cl)C2=CC(=O)C(=CC=C2)O	MIGSPHGJQIIJCX-UHFFFAOYSA-N
DG52216	2-chloro-N-[[4-[[(2-chloroacetyl)amino]methyl]-5-methoxy-2-methyl-1H-indol-6-yl]methyl]acetamide	323387	"58867-63-3; Acetamide,N'-[(5-methoxy-2-methyl-1H-indole-4,6-diyl)bis(methylene)]bis(2-chloro-; Acetamide,N'-[(5-methoxy-2-methyl-1H-indole-4,6-diyl)bis(methylene)]bis[2-chloro-; NSC283168; DTXSID70314429; NSC-283168; 2-chloro-N-[[4-[[(2-chloroacetyl)amino]methyl]-5-methoxy-2-methyl-1H-indol-6-yl]methyl]acetamide; DS-006231; Acetamide, n, n-[(5-methoxy-2-methyl-1h-indole-4, 6-diyl)bis(methylene)]bis(2-chloro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	283168	.	.	.	.	372.2	C16H19Cl2N3O3	83.2	452	1.9	24	3	3	7	"InChI=1S/C16H19Cl2N3O3/c1-9-3-11-12(8-20-15(23)6-18)16(24-2)10(4-13(11)21-9)7-19-14(22)5-17/h3-4,21H,5-8H2,1-2H3,(H,19,22)(H,20,23)"	CC1=CC2=C(N1)C=C(C(=C2CNC(=O)CCl)OC)CNC(=O)CCl	QVTSJELDLWBNSP-UHFFFAOYSA-N
DG52217	Benzenebismaleimide adduct	323533	"Mitindomide; Benzenebismaleimide adduct; NSC284356; 10403-51-7; NSC 284356; NSC-284356; CHEMBL65841; SCHEMBL19411825; Tricyclo(4.2.2.0(sup 2,5))-dec-9-ene-3,4,7,8-tetracarboxylic(3,4,:7,8)diimide; CCG-35685; NSC378692; NSC-378692; NCI60_002331; Tricyclo[4.2.2.02,4,7,8-tetracarboxylic[3,4:7,8]diimide; 4,4':3,4]cyclobut[1,2-f]isoindole-1,3,5,7(2H,6H)tetrone, octahydro-; 5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone; Octahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7-tetrone; Tricyclo(4.2.2.0(2,5))dec-9-ene-3,4,7,8-tetracarboxylic(3,4:7,8)diimide; (3a.alpha.,3b.beta.,4.alpha.,4a.beta.,7a.beta.,8.alpha.,8a.beta.,8b.alpha.)-3a,3b,4,4a,7a,8,8a,8b-Octahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-1,3,5,7(2H,6H)tetrone; 4,4':3,4]cyclobut[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone,3a,3b,4,4a,7a,8,8a,8b-octahydro-; 4,8-Ethenopyrrolo(3',4':3,4)cyclobut(1,2-f)isoindole-1,3,5,7(2H,6H)-tetrone,3a,3b,4,4a,7a,8,8a,8b-octahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	284356	.	.	.	.	272.26	C14H12N2O4	92.3	587	-1.4	20	2	4	0	"InChI=1S/C14H12N2O4/c17-11-7-3-1-2-4(8(7)12(18)15-11)6-5(3)9-10(6)14(20)16-13(9)19/h1-10H,(H,15,17,18)(H,16,19,20)"	C1=CC2C3C(C1C4C2C(=O)NC4=O)C5C3C(=O)NC5=O	DRCJGCOYHLTVNR-UHFFFAOYSA-N
DG52218	"8-Chloroadenosine 3',5'-cyclic-monophosphate"	323587	"NSC284751; NSC-284751; 8-Chloroadenosine 3',5'-cyclic-monophosphate; CHEMBL309775; SCHEMBL1651488; NCGC00485288-01; NCI60_002333; NCI60_004931; 8-Chloroadenosine 3',5'-cyclic-monophosphate, >=85%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	284751	.	.	.	.	363.65	C10H11ClN5O6P	155	532	-1.6	23	3	10	1	"InChI=1S/C10H11ClN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)"	C1C2C(C(C(O2)N3C4=NC=NC(=C4N=C3Cl)N)O)OP(=O)(O1)O	CLLFEJLEDNXZNR-UHFFFAOYSA-N
DG52219	Lapachol glucoside tetraacetate	323592	"57093-27-3; NSC285109; Lapachol glucoside tetraacetate; SCHEMBL13402793; DTXSID90972560; NSC-285109; 1, 2-(3-methyl-2-butenyl)-3-[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]-; 3-(3-Methylbut-2-en-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl 2,3,4,6-tetra-O-acetylhexopyranoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	285109	.	.	.	.	572.6	C29H32O12	158	1130	3.2	41	0	12	13	"InChI=1S/C29H32O12/c1-14(2)11-12-21-23(34)19-9-7-8-10-20(19)24(35)25(21)41-29-28(39-18(6)33)27(38-17(5)32)26(37-16(4)31)22(40-29)13-36-15(3)30/h7-11,22,26-29H,12-13H2,1-6H3"	CC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C	FMNSNVSJQBSOAM-UHFFFAOYSA-N
DG52220	Neothramycin A and neothramycin B	323607	"NSC285223; CHEMBL1986702; Neothramycin A and neothramycin B; NSC-285223; NCI60_002336; 5H-Pyrrolo[2,4]benzodiazepin-5-one, 1,2,3,11a-tetrahydro-3,8-dihydroxy-7-methoxy-, mixt. wtih 1,2,3,11a-tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	285223	.	.	.	.	524.5	C26H28N4O8	165	400	.	38	4	10	2	"InChI=1S/2C13H14N2O4/c2*1-19-11-4-8-9(5-10(11)16)14-6-7-2-3-12(17)15(7)13(8)18/h2*4-7,12,16-17H,2-3H2,1H3/t7-,12+;7-,12-/m00/s1"	COC1=C(C=C2C(=C1)C(=O)N3[C@@H](CC[C@H]3O)C=N2)O.COC1=C(C=C2C(=C1)C(=O)N3[C@@H](CC[C@@H]3O)C=N2)O	DOZXCNCPKXGGBC-VKKUPAEUSA-N
DG52221	"2,5-Dichloro-3,6-bis-propionylamino-[1,4]benzoquinone"	323616	"MLS000757112; SMR000528879; NSC285233; cid_323616; 2,5-dichloro-3,6-bis-propionylamino-[1,4]benzoquinone; CHEMBL1446929; BDBM47823; ZINC1865671; NSC-285233; N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide; 109018-79-3; N-(2,5-dichloro-3,6-diketo-4-propionamido-cyclohexa-1,4-dien-1-yl)propionamide; N-[2,5-dichloro-3,6-dioxo-4-(1-oxopropylamino)-1-cyclohexa-1,4-dienyl]propanamide; N-[2,5-bis(chloranyl)-3,6-bis(oxidanylidene)-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	285233	.	.	.	.	319.14	C12H12Cl2N2O4	92.3	514	1.4	20	2	4	4	"InChI=1S/C12H12Cl2N2O4/c1-3-5(17)15-9-7(13)12(20)10(8(14)11(9)19)16-6(18)4-2/h3-4H2,1-2H3,(H,15,17)(H,16,18)"	CCC(=O)NC1=C(C(=O)C(=C(C1=O)Cl)NC(=O)CC)Cl	KKSCCSVQHNQDBX-UHFFFAOYSA-N
DG52222	Enmein-3-acetate	323628	NSC285658; 7122-00-1; ENMEIN-3-ACETATE; DTXSID00314553; NSC-285658; NCI60_002338	.	.	Investigative Drug(s)	Investigative	Small molecular drug	285658	.	.	.	.	404.5	C22H28O7	99.1	831	2.4	29	1	7	2	"InChI=1S/C22H28O7/c1-10-12-5-6-13-21(8-12,17(10)24)19(26)29-15-7-14(28-11(2)23)20(3,4)16-18(25)27-9-22(13,15)16/h12-16,18,25H,1,5-9H2,2-4H3/t12 ,13 ,14-,15-,16+,18+,21 ,22 /m1/s1"	CC(=O)O[C@@H]1C[C@@H]2C3(CO[C@@H]([C@H]3C1(C)C)O)C4CCC5CC4(C(=O)C5=C)C(=O)O2	MWJMINDXYBAFMN-CIRVQHMCSA-N
DG52223	"Benzoic acid, 4-[[(1,3,4-thiadiazol-2-ylamino)carbonyl]amino]-, ethyl ester"	323649	"MLS003115565; 69123-49-5; NSC285689; SCHEMBL4915635; CHEMBL1899210; DTXSID90314562; ZINC1865747; NSC-285689; SMR001831138; DS-007173; 4-(3-[1,3,4]thiadiazol-2-yl-ureido)-benzoic acid ethyl ester; Benzoic acid,3,4-thiadiazol-2-ylamino)carbonyl]amino]-, ethyl ester; Benzoic acid, 4-[[(1,3,4-thiadiazol-2-ylamino)carbonyl]amino]-, ethyl ester; BENZOIC ACID,4-[[(1,3,4-THIADIAZOL-2-YLAMINO)CARBONYL]AMINO]-, ETHYL ESTER"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	285689	.	.	.	.	292.32	C12H12N4O3S	121	348	1.5	20	2	6	5	"InChI=1S/C12H12N4O3S/c1-2-19-10(17)8-3-5-9(6-4-8)14-11(18)15-12-16-13-7-20-12/h3-7H,2H2,1H3,(H2,14,15,16,18)"	CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NN=CS2	HQRBNMAPONQOJI-UHFFFAOYSA-N
DG52224	"6-Chloro-3'-methylene-spiro[chromane-4,5'-tetrahydrofuran]-2'-one"	323667	"NSC286122; CHEMBL1968771; NSC-286122; NCI60_002343; 6-chloro-3'-methylene-spiro[chromane-4,5'-tetrahydrofuran]-2'-one; Spiro[4H-1-benzopyran-4,2'(5'H)-furan]-5'-one, 6-chloro-2,3,3',4'-tetrahydro-4'-methylene-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	286122	.	.	.	.	250.68	C13H11ClO3	35.5	368	2.8	17	0	3	0	"InChI=1S/C13H11ClO3/c1-8-7-13(17-12(8)15)4-5-16-11-3-2-9(14)6-10(11)13/h2-3,6H,1,4-5,7H2"	C=C1CC2(CCOC3=C2C=C(C=C3)Cl)OC1=O	CTSKKPHXSRUMRY-UHFFFAOYSA-N
DG52225	"[3,4,5-Triacetyloxy-6-[3-(3,3-dichloroprop-2-enyl)-1,4-dioxonaphthalen-2-yl]oxyoxan-2-yl]methyl acetate"	323672	NSC286136; SCHEMBL13402815; NSC-286136	.	.	Investigative Drug(s)	Investigative	Small molecular drug	286136	.	.	.	.	613.4	C27H26Cl2O12	158	1140	3.4	41	0	12	13	"InChI=1S/C27H26Cl2O12/c1-12(30)36-11-19-24(37-13(2)31)25(38-14(3)32)26(39-15(4)33)27(40-19)41-23-18(9-10-20(28)29)21(34)16-7-5-6-8-17(16)22(23)35/h5-8,10,19,24-27H,9,11H2,1-4H3"	CC(=O)OCC1C(C(C(C(O1)OC2=C(C(=O)C3=CC=CC=C3C2=O)CC=C(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C	YDEPCCXLMFQLMY-UHFFFAOYSA-N
DG52226	2-beta-D-Ribofuranosyl-4-thiazolecarboxamide	323701	"MLS003389320; 92952-40-4; 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide; NSC286193; NSC 286193; 2-.beta.-D-Ribofuranosyl-4-thiazolecarboxamide; 2-.beta.-D-Ribofuranosylthiazole-4-carboxamide; 4-Thiazolecarboxamide, 2-.beta.-D-ribofuranosyl-; 2-beta-D-Ribofuranosyl-4-thiazolecarboxamide; 92952-33-5; CHEMBL276286; SCHEMBL1651851; BCP30734; NSC367734; NSC367735; NSC367920; NSC381855; Riboxamide; TCAR pound>>Tiazofurinum; NSC-367734; NSC-367735; NSC-367920; NSC-381855; LS-13643; NCI60_002347; SMR002048975; FT-0675221; MLS003389320-02"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	286193	.	.	.	.	260.269	C9H12N2O5S	154	305	-1.7	17	4	7	3	"InChI=1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)"	C1=C(N=C(S1)C2C(C(C(O2)CO)O)O)C(=O)N	FVRDYQYEVDDKCR-UHFFFAOYSA-N
DG52227	"4-Amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-ethoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile"	324275	NSC289117; NSC-289117	.	.	Investigative Drug(s)	Investigative	Small molecular drug	289117	.	.	.	.	335.32	C14H17N5O5	160	501	-1	24	4	9	4	"InChI=1S/C14H17N5O5/c1-2-23-13-6(3-15)8-11(16)17-5-18-12(8)19(13)14-10(22)9(21)7(4-20)24-14/h5,7,9-10,14,20-22H,2,4H2,1H3,(H2,16,17,18)"	CCOC1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C#N	RLXGZFZDCXKEDV-UHFFFAOYSA-N
DG52228	"[5-[6-(2-Furylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid"	324451	"13484-67-8; [5-[6-(2-furylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid; NSC289900; DTXSID50314927; NSC-289900; [5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate; Kinetin riboside-5'-monophosphate sodium salt; N-[(Furan-2-yl)methyl]-9-(5-O-phosphonopentofuranosyl)-9H-purin-6-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	289900	.	.	.	.	427.31	C15H18N5O8P	185	613	-2.3	29	5	12	7	"InChI=1S/C15H18N5O8P/c21-11-9(5-27-29(23,24)25)28-15(12(11)22)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-26-8/h1-3,6-7,9,11-12,15,21-22H,4-5H2,(H,16,17,18)(H2,23,24,25)"	C1=COC(=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COP(=O)(O)O)O)O	WDFCXEWULSQTFC-UHFFFAOYSA-N
DG52229	1-Galactopyranosyl-5-fluorouracil	324452	MLS003389321; 17242-88-5; 1-galactopyranosyl-5-fluorouracil; NSC289901; CHEMBL1977258; DTXSID10314928; NSC-289901; NCI60_002379; SMR002048976	.	.	Investigative Drug(s)	Investigative	Small molecular drug	289901	.	.	.	.	292.22	C10H13FN2O7	140	457	-2.3	20	5	8	2	"InChI=1S/C10H13FN2O7/c11-3-1-13(10(19)12-8(3)18)9-7(17)6(16)5(15)4(2-14)20-9/h1,4-7,9,14-17H,2H2,(H,12,18,19)"	C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)O)O)F	YHWGRVDTEORPPJ-UHFFFAOYSA-N
DG52230	Ivalbatin acetate	324500	"IVALBATIN ACETATE; NSC290136; 37163-91-0; Ivalbin acetate; CHEMBL1997467; DTXSID10958366; 6-Methyl-3-methylene-2-oxo-7-(3-oxobutyl)-3,3a,4,5,6,8a-hexahydro-2H-cyclohepta[b]furan-5-yl acetate; NSC-290136; NCI60_002382; [6-methyl-3-methylene-2-oxo-7-(3-oxobutyl)-4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-5-yl] acetate; 6-Methyl-3-methylidene-2-oxo-7-(3-oxobutyl)-3,3a,4,5,6,8a-hexahydro-2H-cyclohepta[b]furan-5-yl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	290136	.	.	.	.	306.4	C17H22O5	69.7	545	1.4	22	0	5	5	"InChI=1S/C17H22O5/c1-9(18)5-6-13-7-16-14(11(3)17(20)22-16)8-15(10(13)2)21-12(4)19/h7,10,14-16H,3,5-6,8H2,1-2,4H3"	CC1C(CC2C(C=C1CCC(=O)C)OC(=O)C2=C)OC(=O)C	HDGJZUYCLFNJBX-UHFFFAOYSA-N
DG52231	"N-[2-[[4,5-dihydroxy-2-methyl-6-[(9-methylpurin-6-yl)amino]tetrahydropyran-3-yl]amino]-2-oxo-ethyl]-14-methyl-pentadecanamide"	324540	"NSC290511; CHEMBL2003550; NSC-290511; NCI60_002385; 4,6-Dideoxy-4-((((14-methylpentadecanoyl)amino)acetyl)amino)-N-(9-methyl-9H-purin-6-yl)hexopyranosylamine; N-[2-[[4,5-dihydroxy-2-methyl-6-[(9-methylpurin-6-yl)amino]tetrahydropyran-3-yl]amino]-2-oxo-ethyl]-14-methyl-pentadecanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	290511	.	.	.	.	589.8	C30H51N7O5	164	806	5.1	42	5	9	18	"InChI=1S/C30H51N7O5/c1-20(2)15-13-11-9-7-5-6-8-10-12-14-16-22(38)31-17-23(39)35-24-21(3)42-30(27(41)26(24)40)36-28-25-29(33-18-32-28)37(4)19-34-25/h18-21,24,26-27,30,40-41H,5-17H2,1-4H3,(H,31,38)(H,35,39)(H,32,33,36)"	CC1C(C(C(C(O1)NC2=C3C(=NC=N2)N(C=N3)C)O)O)NC(=O)CNC(=O)CCCCCCCCCCCCC(C)C	BYVJEJAJTFHTPY-UHFFFAOYSA-N
DG52232	"N-[2-dimethylarsanylsulfanyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide"	324686	"76235-28-4; NSC290806; CHEMBL1970595; DTXSID60314993; NSC-290806; N-[2-dimethylarsanylsulfanyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide; NCI60_002387; 2-(ACETYLAMINO)-2-DEOXY-1-THIO-.BETA.-D-GLUCOPYRANOSE, 1-(DIMETHYLARSINITE)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	290806	.	.	.	.	341.26	C10H20AsNO5S	124	293	.	18	4	6	4	"InChI=1S/C10H20AsNO5S/c1-5(14)12-7-9(16)8(15)6(4-13)17-10(7)18-11(2)3/h6-10,13,15-16H,4H2,1-3H3,(H,12,14)"	CC(=O)NC1C(C(C(OC1S[As](C)C)CO)O)O	KLFSMWAVZVWSJT-UHFFFAOYSA-N
DG52233	Streptonigrin analog (etnh)	324770	CHEMBL4740853; NSC291094; STREPTONIGRIN ANALOG (ETNH); ZINC5385803; BDBM50548273; NSC-291094	.	.	Investigative Drug(s)	Investigative	Small molecular drug	291094	.	.	.	.	202.21	C11H10N2O2	59.1	323	1.3	15	1	4	2	"InChI=1S/C11H10N2O2/c1-2-12-8-6-9(14)10-7(11(8)15)4-3-5-13-10/h3-6,12H,2H2,1H3"	CCNC1=CC(=O)C2=C(C1=O)C=CC=N2	VWEKWMGFJIZVNQ-UHFFFAOYSA-N
DG52234	1-(4-Chloro-phenyl)-3-thiazol-2-yl-urea	324932	"1-(4-chlorophenyl)-3-(1,3-thiazol-2-yl)urea; 1-(4-Chloro-phenyl)-3-thiazol-2-yl-urea; MLS000523574; 69123-55-3; SMR000122647; NSC291925; Oprea1_074118; Oprea1_128916; cid_324932; CHEMBL1559362; BDBM76384; ZINC46014; DTXSID10315117; HMS2361F10; STK019581; AKOS000484173; MCULE-2508384256; NSC-291925; SDCCGSBI-0125857.P001; 1-(4-chlorophenyl)-3-(2-thiazolyl)urea; 1-(4-chlorophenyl)-3-thiazol-2-yl-urea; Urea, N-(4-chlorophenyl)-N'-2-thiazolyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	291925	.	.	.	.	253.71	C10H8ClN3OS	82.3	246	2.8	16	2	3	2	"InChI=1S/C10H8ClN3OS/c11-7-1-3-8(4-2-7)13-9(15)14-10-12-5-6-16-10/h1-6H,(H2,12,13,14,15)"	C1=CC(=CC=C1NC(=O)NC2=NC=CS2)Cl	KPRKVTCHPGWYQW-UHFFFAOYSA-N
DG52235	"Ethyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoylamino)benzoate"	324933	MLS003115639; 69123-48-4; NSC291927; CHEMBL1996494; DTXSID70315118; ZINC1565891; NSC-291927; SMR001831211	.	.	Investigative Drug(s)	Investigative	Small molecular drug	291927	.	.	.	.	293.34	C13H15N3O3S	105	392	1.6	20	2	5	5	"InChI=1S/C13H15N3O3S/c1-2-19-11(17)9-3-5-10(6-4-9)15-12(18)16-13-14-7-8-20-13/h3-6H,2,7-8H2,1H3,(H2,14,15,16,18)"	CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NCCS2	MHLLHTZJLCRFCU-UHFFFAOYSA-N
DG52236	"12-Hydroxyindolo[2,1-b]quinazoline-6(12H)-one"	324952	"NSC292147; 62584-08-1; 12-Hydroxyindolo[2,1-b]quinazoline-6(12H)-one; 12-Hydroxyindolo(2,1-b)quinazoline-6(12H)-one; 12-hydroxy-12H-indolo[2,1-b]quinazolin-6-one; NSC 292147; CHEMBL1990747; NSC-292147; NCI60_002403"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	292147	.	.	.	.	250.25	C15H10N2O2	52.9	434	1.6	19	1	3	0	"InChI=1S/C15H10N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8,15,19H"	C1=CC=C2C(=C1)C(N3C4=CC=CC=C4C(=O)C3=N2)O	UYTIXHDIFSRARY-UHFFFAOYSA-N
DG52237	Rustaiyan A	324967	"RUSTAIYAN A; NSC292206; CHEMBL1990401; DTXSID20875136; NSC-292206; PROPENOIC ACID, ESTER DERIVATIVE; NCI60_002404"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	292206	.	.	.	.	360.4	C19H20O7	91.4	779	0.7	26	0	7	3	"InChI=1S/C19H20O7/c1-8(2)16(20)24-12-6-10-5-11(23-18(10)22)7-19(4)15(26-19)14-13(12)9(3)17(21)25-14/h5,11-15H,1,3,6-7H2,2,4H3"	CC(=C)C(=O)OC1CC2=CC(CC3(C(O3)C4C1C(=C)C(=O)O4)C)OC2=O	WIQOUTANBFOBPB-UHFFFAOYSA-N
DG52238	Methyl 4-hydroxy-2-methoxybenzenecarbodithioate	324995	CHEMBL1975019; 62070-80-8; NSC292256; DTXSID50421029; ZINC1565956; NSC-292256	.	.	Investigative Drug(s)	Investigative	Small molecular drug	292256	.	.	.	.	214.3	C9H10O2S2	86.8	185	2.5	13	1	4	3	"InChI=1S/C9H10O2S2/c1-11-8-5-6(10)3-4-7(8)9(12)13-2/h3-5,10H,1-2H3"	COC1=C(C=CC(=C1)O)C(=S)SC	FZFAKKZFYSCZEJ-UHFFFAOYSA-N
DG52239	1-(2-((2-Chloroethyl)thio)ethyl)-3-cyclohexyl-1-nitrosourea	325087	"NSC292684; 66929-50-8; 1-(2-((2-Chloroethyl)thio)ethyl)-3-cyclohexyl-1-nitrosourea; NCIMech_000503; CHEMBL166901; DTXSID10217081; ZINC5492634; CCG-35697; NSC 292684; NSC-292684; NCI60_002414; Urea, N-[2-[(2-chloroethyl)thio]ethyl]-N'-cyclohexyl-N-nitroso-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	292684	.	.	.	.	293.81	C11H20ClN3O2S	87.1	263	3.5	18	1	4	6	"InChI=1S/C11H20ClN3O2S/c12-6-8-18-9-7-15(14-17)11(16)13-10-4-2-1-3-5-10/h10H,1-9H2,(H,13,16)"	C1CCC(CC1)NC(=O)N(CCSCCCl)N=O	KJRPCFPUAWNDAQ-UHFFFAOYSA-N
DG52240	"Benzyl-4-(benzyloxy)-5,6-dimethylpicolinate"	325113	"NSC292928; ZINC13207379; NSC-292928; benzyl-4-(benzyloxy)-5,6-dimethylpicolinate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	292928	.	.	.	.	347.4	C22H21NO3	48.4	429	4.8	26	0	4	7	"InChI=1S/C22H21NO3/c1-16-17(2)23-20(22(24)26-15-19-11-7-4-8-12-19)13-21(16)25-14-18-9-5-3-6-10-18/h3-13H,14-15H2,1-2H3"	CC1=C(N=C(C=C1OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C	LHZQVAJJDVISKK-UHFFFAOYSA-N
DG52241	NSC293161	325174	"2-[7-[3-(carboxymethyl)-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-7-yl]-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid; NSC293161; 15828-92-9; (7,7'-Bi-1H-naphtho(2,3-c)pyran)-3,3'-diacetic acid, 3,3',4,4',6,6',9,9'-octahydro-5,5',10,10'-tetrahydroxy-1,1'-dimethyl-6,6',9,9'-tetraoxo-; NSC-293161; [7,7'-Bi-1H-naphtho[2,3-c]pyran]-3,3'-diacetic acid, 3,3',4,4',6,6',9,9'-octahydro-5,5',10,10'-tetrahydroxy-1,1'-dimethyl-6,6',9,9'-tetraoxo-; NSC 293161; CHEMBL1976562; SCHEMBL20442857; DTXSID00935883; CCG-36392; 2-[7-[3-(carboxymethyl)-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-7-yl]-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid; NCI60_002425; 2,2'-(5,5',10,10'-Tetrahydroxy-1,1'-dimethyl-6,6',9,9'-tetraoxo-3,3',4,4',6,6',9,9'-octahydro-1H,1'H-[7,7'-binaphtho[2,3-c]pyran]-3,3'-diyl)diacetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	293161	.	.	.	.	634.5	C32H26O14	242	1520	1.9	46	6	14	5	"InChI=1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)25-23(31(21)43)17(33)7-13(27(25)39)14-8-18(34)24-26(28(14)40)30(42)16-4-12(6-20(37)38)46-10(2)22(16)32(24)44/h7-12,33,39,41,43H,3-6H2,1-2H3,(H,35,36)(H,37,38)"	CC1C2=C(CC(O1)CC(=O)O)C(=O)C3=C(C2=O)C(=O)C=C(C3=O)C4=CC(=C5C(=C4O)C(=C6CC(OC(C6=C5O)C)CC(=O)O)O)O	ABKAAFBFNWYLHX-UHFFFAOYSA-N
DG52242	"S-(3-(hydroxy(oxido)amino)imidazo[1,2-a]pyridin-2-yl)cysteine"	325414	"NSC294149; 62194-88-1; NSC-294149; NCIStruc1_000701; NCIStruc2_000806; CHEMBL1981261; DTXSID70315350; NCI60_002433; S-(3-(hydroxy(oxido)amino)imidazo[1,2-a]pyridin-2-yl)cysteine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294149	.	.	.	.	282.28	C10H10N4O4S	152	364	-0.8	19	2	7	4	"InChI=1S/C10H10N4O4S/c11-6(10(15)16)5-19-8-9(14(17)18)13-4-2-1-3-7(13)12-8/h1-4,6H,5,11H2,(H,15,16)"	C1=CC2=NC(=C(N2C=C1)[N+](=O)[O-])SCC(C(=O)O)N	DSQHYQZBKPIFIF-UHFFFAOYSA-N
DG52243	"1, 2-(bromodiphenylstannyl)-N,N,N',N'-tetramethyl-"	325476	"NSC294244; ZINC195782175; NSC-294244; NCI60_002436; 1, 2-(bromodiphenylstannyl)-N,N,N',N'-tetramethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294244	.	.	.	.	544.1	C24H29BrN2Sn	6.5	422	.	28	0	2	7	"InChI=1S/C12H19N2.2C6H5.BrH.Sn/c1-13(2)9-11-6-5-7-12(8-11)10-14(3)4;2*1-2-4-6-5-3-1;;/h5-7H,9-10H2,1-4H3;2*1-5H;1H;/q;;;;+1/p-1"	CN(C)CC1=C(C(=CC=C1)CN(C)C)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)Br	XZHRLZUZYYIUIY-UHFFFAOYSA-M
DG52244	N-Dodecyl-N-hydroxybenzamide	325612	N-Dodecyl-N-hydroxybenzamide; 56918-98-0; UNII-G9SUZ33DVO; NSC294608; G9SUZ33DVO; NSC 294608; N-dodecyl-N-hydroxy-benzamide; CHEMBL1983213; DTXSID50205462; ZINC73351308; NSC-294608; NCI60_002443	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294608	.	.	.	.	305.5	C19H31NO2	40.5	275	6.5	22	1	2	12	"InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-14-17-20(22)19(21)18-15-12-11-13-16-18/h11-13,15-16,22H,2-10,14,17H2,1H3"	CCCCCCCCCCCCN(C(=O)C1=CC=CC=C1)O	KQDMTFAQBVMWDP-UHFFFAOYSA-N
DG52245	Lupene triol	325735	"LUPENE TRIOL; NSC294921; Lup-20(29)-ene-3,16,28-triol; Heliantriol B2; 61229-18-3; 3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-4,9-diol; (1R,3As,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-4,9-diol; DTXSID20976738; CHEBI:190365; NSC-294921; NCI60_002454; 3a-(hydroxymethyl)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-4,9-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294921	.	.	.	.	458.7	C30H50O3	60.7	819	7.7	33	3	3	2	"InChI=1S/C30H50O3/c1-18(2)19-10-15-30(17-31)24(33)16-29(7)20(25(19)30)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-28(22,29)6/h19-25,31-33H,1,8-17H2,2-7H3"	CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)CO	TWKNDDJHVQUEJF-UHFFFAOYSA-N
DG52246	"6-Bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one"	325766	"72472-43-6; MLS002701790; 6-Bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one; 6-BROMO-2-METHOXY-6,7,8,9-TETRAHYDRO-BENZOCYCLOHEPTEN-5-ONE; NSC295084; 6-bromo-2-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one; SCHEMBL5241361; CHEMBL1736093; DTXSID70315517; AT10254; NSC-295084; NCI60_002456; SMR001565384; CS-0068973; 5H-Benzocyclohepten-5-one,7,8,9-tetrahydro-2-methoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295084	.	.	.	.	269.13	C12H13BrO2	26.3	242	3.2	15	0	2	1	"InChI=1S/C12H13BrO2/c1-15-9-5-6-10-8(7-9)3-2-4-11(13)12(10)14/h5-7,11H,2-4H2,1H3"	COC1=CC2=C(C=C1)C(=O)C(CCC2)Br	YVOBLRLPIJTZAI-UHFFFAOYSA-N
DG52247	"6,6-dibromo-2-methoxy-3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-one"	325767	"71089-26-4; NSC295085; CHEMBL2006396; DTXSID30315518; ZINC5493210; 6,6-dibromo-2-methoxy-3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-one; NSC-295085; NCI60_002457; 5H-Benzocyclohepten-5-one,6-dibromo-6,7,8,9-tetrahydro-2-methoxy-3-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295085	.	.	.	.	393.03	C12H11Br2NO4	72.1	382	3.8	19	0	4	1	"InChI=1S/C12H11Br2NO4/c1-19-10-5-7-3-2-4-12(13,14)11(16)8(7)6-9(10)15(17)18/h5-6H,2-4H2,1H3"	COC1=C(C=C2C(=C1)CCCC(C2=O)(Br)Br)[N+](=O)[O-]	FSROCAZULZUTJL-UHFFFAOYSA-N
DG52248	((Aminocarbonyl)amino)(methoxy)acetic acid	325890	NSC295473; 64732-17-8; NSC-295473; ((aminocarbonyl)amino)(methoxy)acetic acid; alpha-methoxyhydantoic acid; SCHEMBL238196; CHEMBL1998936; DTXSID10315571; AKOS006360684; NCI60_002466	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295473	.	.	.	.	148.12	C4H8N2O4	102	146	-1.5	10	3	4	3	"InChI=1S/C4H8N2O4/c1-10-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)"	COC(C(=O)O)NC(=O)N	SQBMMSCMKXLJDZ-UHFFFAOYSA-N
DG52249	NSC295499	325910	"Morpholine, 4-[(3,4,12,14-tetrahydro-4-hydroxy-11-methoxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl)acetyl]-; NSC295499; Neuro_000149; CHEMBL1977267; NSC-295499; NCI60_002467; hydroxy-methoxy-(2-morpholino-2-oxo-ethyl)[ ]dione; Morpholine, 4-[(3,4,12,14-tetrahydro-4-hydroxy-11-methoxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl)acetyl]-; Morpholine,4,12,14-tetrahydro-4-hydroxy-11-methoxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl)acetyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295499	.	.	.	.	477.5	C25H23N3O7	119	1000	-0.3	35	1	8	3	"InChI=1S/C25H23N3O7/c1-33-22-14-4-2-3-5-18(14)26-21-15(22)12-28-19(21)10-17-16(23(28)30)13-35-24(31)25(17,32)11-20(29)27-6-8-34-9-7-27/h2-5,10,32H,6-9,11-13H2,1H3"	COC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC(=O)N5CCOCC5)O)C2=NC6=CC=CC=C61	YVNNIWKSNZPQOZ-UHFFFAOYSA-N
DG52250	NSC295500	325911	"Methyl 2-(19-hydroxy-10-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl)acetate; NSC295500; CHEMBL2002533; NSC-295500; NCI60_002468; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-4-acetic acid, 3,4,12,14-tetrahydro-4-hydroxy-11-methoxy-3,14-dioxo-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295500	.	.	.	.	422.4	C22H18N2O7	115	896	0.4	31	1	8	4	"InChI=1S/C22H18N2O7/c1-29-17(25)8-22(28)14-7-16-18-12(9-24(16)20(26)13(14)10-31-21(22)27)19(30-2)11-5-3-4-6-15(11)23-18/h3-7,28H,8-10H2,1-2H3"	COC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC(=O)OC)O)C2=NC5=CC=CC=C51	JKMYAMJUZUUXBQ-UHFFFAOYSA-N
DG52251	"4-Ethyl-4-hydroxy-10-methoxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione-, (S)-"	325912	"NSC295501; CHEMBL1973760; NSC-295501; NCI60_002469; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-10-methoxy-, (4S)-; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 4-ethyl-4-hydroxy-11-methoxy-; 4-Ethyl-4-hydroxy-10-methoxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295501	.	.	.	.	378.4	C21H18N2O5	89	790	1	28	1	6	2	"InChI=1S/C21H18N2O5/c1-3-21(26)14-8-16-17-12(9-23(16)19(24)13(14)10-28-20(21)25)18(27-2)11-6-4-5-7-15(11)22-17/h4-8,26H,3,9-10H2,1-2H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)OC)O	WJNQIJDZEGIYCZ-UHFFFAOYSA-N
DG52252	"2,2-Dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione"	326210	"62390-99-2; NSC297093; CHEMBL1990112; DTXSID00315742; ZINC346783; 2,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione; AKOS016668619; MCULE-4283048614; NSC-297093; NCI60_002487; 1,6-dione, 2,2-dimethyl-5-[(5-nitro-2-thienyl)methylene]-; 2,2-DIMETHYL-5-((5-NITRO-2-THIENYL)METHYLENE)-1,3-DIOXANE-4,6-DIONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	297093	.	.	.	.	283.26	C11H9NO6S	127	444	2.6	19	0	7	1	"InChI=1S/C11H9NO6S/c1-11(2)17-9(13)7(10(14)18-11)5-6-3-4-8(19-6)12(15)16/h3-5H,1-2H3"	CC1(OC(=O)C(=CC2=CC=C(S2)[N+](=O)[O-])C(=O)O1)C	CISOKWVGMLHGBN-UHFFFAOYSA-N
DG52253	"6-Chloro-3-(2-chlorobenzyl)-3,4-dihydro-2H-(1,3)oxazino(5,6-h)quinoline"	326313	"50595-07-8; NSC297353; 6-Chloro-3-(2-chlorobenzyl)-3,4-dihydro-2H-(1,3)oxazino(5,6-h)quinoline; 6-Chloro-3-(2-chlorobenzyl)-3,4-dihydro-2H-[1,3]oxazino[5,6-h]quinoline; NSC 297353; CHEMBL1992094; DTXSID60198634; ZINC13207929; NSC-297353; 6-chloro-3-[(2-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	297353	.	.	.	.	345.2	C18H14Cl2N2O	25.4	411	4.6	23	0	3	2	"InChI=1S/C18H14Cl2N2O/c19-15-6-2-1-4-12(15)9-22-10-13-8-16(20)14-5-3-7-21-17(14)18(13)23-11-22/h1-8H,9-11H2"	C1C2=CC(=C3C=CC=NC3=C2OCN1CC4=CC=CC=C4Cl)Cl	YQUDGSHPAMOICU-UHFFFAOYSA-N
DG52254	"6-Chloro-3-(4-chlorobenzyl)-3,4-dihydro-2H-[1,3]oxazino[5,6-h]quinoline"	326320	"41957-84-0; 6-Chloro-3-(4-chlorobenzyl)-3,4-dihydro-2H-[1,3]oxazino[5,6-h]quinoline; NSC297360; 6-Chloro-3-(4-chlorobenzyl)-3,4-dihydro-2H-(1,3)oxazino(5,6-h)quinoline; 6-chloro-3-[(4-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine; NSC 297360; Bionet2_000691; Oprea1_868768; CHEMBL1966934; SCHEMBL12297892; DTXSID80194779; HMS1365P09; ZINC20366591; AKOS005088604; 3M-524S; MCULE-8140409225; NSC-297360; NCI60_002489; 6-Chloro-3-(4-chlorobenzyl)-3,4-dihydro-2H-[1,3]oxazino[5,6-H]quinoline #; 6-CHLORO-3-[(4-CHLOROPHENYL)METHYL]-2H,3H,4H-[1,3]OXAZINO[5,6-H]QUINOLINE; 6-Chloro-3-[p-chlorobenzyl]-3,4-dihydro-2H-pyrido[3,2-b]-1,3-benzoxazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	297360	.	.	.	.	345.2	C18H14Cl2N2O	25.4	403	4.6	23	0	3	2	"InChI=1S/C18H14Cl2N2O/c19-14-5-3-12(4-6-14)9-22-10-13-8-16(20)15-2-1-7-21-17(15)18(13)23-11-22/h1-8H,9-11H2"	C1C2=CC(=C3C=CC=NC3=C2OCN1CC4=CC=C(C=C4)Cl)Cl	NNZCKBDKGWOHKF-UHFFFAOYSA-N
DG52255	"3-[(2-Chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine"	326321	"NSC297361; CHEMBL1978734; 3-[(2-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine; ZINC13207936; NSC-297361; NCI60_002490; 3-(2-Chlorobenzyl)-3,4-dihydro-2H-[1,3]oxazino[5,6-h]quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	297361	.	.	.	.	310.8	C18H15ClN2O	25.4	380	4	22	0	3	2	"InChI=1S/C18H15ClN2O/c19-16-6-2-1-4-14(16)10-21-11-15-8-7-13-5-3-9-20-17(13)18(15)22-12-21/h1-9H,10-12H2"	C1C2=C(C3=C(C=CC=N3)C=C2)OCN1CC4=CC=CC=C4Cl	YSDAVBBZXPACDW-UHFFFAOYSA-N
DG52256	"6-Chloro-3-[(2-fluorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine"	326326	"NSC297366; CHEMBL1973040; ZINC13207938; NSC-297366; 6-chloro-3-[(2-fluorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine; 6-Chloro-3-(2-fluorobenzyl)-3,4-dihydro-2H-[1,3]oxazino[5,6-h]quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	297366	.	.	.	.	328.8	C18H14ClFN2O	25.4	413	4.1	23	0	4	2	"InChI=1S/C18H14ClFN2O/c19-15-8-13-10-22(9-12-4-1-2-6-16(12)20)11-23-18(13)17-14(15)5-3-7-21-17/h1-8H,9-11H2"	C1C2=CC(=C3C=CC=NC3=C2OCN1CC4=CC=CC=C4F)Cl	SGUFJSRPDLQVAV-UHFFFAOYSA-N
DG52257	"N,N'-bis[(1-tert-butylaziridin-2-yl)methyl]oxamide"	326600	"NSC298276; N,N'-bis[(1-tert-butylaziridin-2-yl)methyl]oxamide; CHEMBL1998935; NSC-298276; NCI60_002497; N,1-DIMETHYLETHYL)-2-AZIRIDINYL]METHYL]ETHANEDIAMIDE; Ethanediamide,N'-bis[[1-(1,1-dimethylethyl)-2-aziridinyl]methyl]-; Ethanediamide, N,N'-bis[[1-(1,1-dimethylethyl)-2-aziridinyl]methyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	298276	.	.	.	.	310.44	C16H30N4O2	64.2	408	1	22	2	4	6	"InChI=1S/C16H30N4O2/c1-15(2,3)19-9-11(19)7-17-13(21)14(22)18-8-12-10-20(12)16(4,5)6/h11-12H,7-10H2,1-6H3,(H,17,21)(H,18,22)"	CC(C)(C)N1CC1CNC(=O)C(=O)NCC2CN2C(C)(C)C	NCZAFBKFSHVMFZ-UHFFFAOYSA-N
DG52258	"Carbamic acid, (2-(4-thiazolyl)-1H-benzimidazol-5-yl)-, ethyl ester"	326899	"NSC299514; UNII-9J2BCV8VXC; 9J2BCV8VXC; 27146-16-3; MLS003115737; Carbamic acid, (2-(4-thiazolyl)-1H-benzimidazol-5-yl)-, ethyl ester; Carbamic acid, [2-(4-thiazolyl)-1H-benzimidazol-5-yl]-, ethyl ester; NSC 299514; CHEMBL1877688; DTXSID70181613; ZINC1566922; NSC-299514; SMR001831308; ethyl N-(2-thiazol-4-yl-1H-benzimidazol-5-yl)carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	299514	.	.	.	.	288.33	C13H12N4O2S	108	357	2.4	20	2	5	4	"InChI=1S/C13H12N4O2S/c1-2-19-13(18)15-8-3-4-9-10(5-8)17-12(16-9)11-6-20-7-14-11/h3-7H,2H2,1H3,(H,15,18)(H,16,17)"	CCOC(=O)NC1=CC2=C(C=C1)N=C(N2)C3=CSC=N3	VRXADELDEAADGK-UHFFFAOYSA-N
DG52259	"Tris(4-tert-butyl-2,6-dimethoxyphenyl)methanol"	326946	"NSC299863; ZINC5573920; NSC-299863; Benzenemethanol,1-dimethylethyl)-.alpha.,.alpha.-bis[4-(1,1-dimethylethyl)-2,6-dimethoxyphenyl]-2,6-dimethoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	299863	.	.	.	.	608.8	C37H52O7	75.6	732	9.1	44	1	7	12	"InChI=1S/C37H52O7/c1-34(2,3)22-16-25(39-10)31(26(17-22)40-11)37(38,32-27(41-12)18-23(35(4,5)6)19-28(32)42-13)33-29(43-14)20-24(36(7,8)9)21-30(33)44-15/h16-21,38H,1-15H3"	CC(C)(C)C1=CC(=C(C(=C1)OC)C(C2=C(C=C(C=C2OC)C(C)(C)C)OC)(C3=C(C=C(C=C3OC)C(C)(C)C)OC)O)OC	ZFRIXUZTJBWSAG-UHFFFAOYSA-N
DG52260	4-(2-Bromoethylsulfanylmethyl)-7-methoxychromen-2-one	326958	NSC299878; CHEMBL2007272; ZINC1872057; NSC-299878; NCI60_002513	.	.	Investigative Drug(s)	Investigative	Small molecular drug	299878	.	.	.	.	329.21	C13H13BrO3S	60.8	332	3.1	18	0	4	5	"InChI=1S/C13H13BrO3S/c1-16-10-2-3-11-9(8-18-5-4-14)6-13(15)17-12(11)7-10/h2-3,6-7H,4-5,8H2,1H3"	COC1=CC2=C(C=C1)C(=CC(=O)O2)CSCCBr	OYKGVZVMWHCQEL-UHFFFAOYSA-N
DG52261	4-Methyl-6-nitro-7-methoxycoumarin	326959	NSC299879; NCIMech_000462; CHEMBL1975079; ZINC1789748; 4-Methyl-6-nitro-7-methoxycoumarin; CCG-35983; AKOS002246590; MCULE-7165317860; NSC-299879; NCI60_002514; 7-methoxy-4-methyl-6-nitro-chromen-2-one; 6-(Hydroxy(oxido)amino)-7-methoxy-4-methyl-2H-chromen-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	299879	.	.	.	.	235.19	C11H9NO5	81.4	373	1.6	17	0	5	1	"InChI=1S/C11H9NO5/c1-6-3-11(13)17-9-5-10(16-2)8(12(14)15)4-7(6)9/h3-5H,1-2H3"	CC1=CC(=O)OC2=CC(=C(C=C12)[N+](=O)[O-])OC	WDTSLGKXQQQGGL-UHFFFAOYSA-N
DG52262	(+)-Totarol	326995	"(+)-Totarol; trans-Totarol; 511-15-9; 4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol; NSC 299936; trans-Totarol;Totarol; TOTAROL (B637832K176); Podocarpa-8,11,13-trien-13-ol, 14-isopropyl-; 2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS-trans)-; SCHEMBL1839596; CHEMBL1999971; CHEBI:188167; BCP15142; NSC299936; AKOS015916457; NSC-299936; NCI60_002516; XT170624; DB-051898; FT-0603433; Podocarpa-8,13-trien-13-ol, 14-isopropyl-; 14-Isopropylpodocarpa-8,11,13-trien-13-ol #; Q67880143; 8,11,13-Totaratrien-13-ol - Thuja plicata (western red cedar); (4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol; 2-Phenanthrenol,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS-trans)-; 411239-21-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	299936	.	.	.	.	286.5	C20H30O	20.2	385	6.7	21	1	1	1	"InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3"	CC(C)C1=C(C=CC2=C1CCC3C2(CCCC3(C)C)C)O	ZRVDANDJSTYELM-UHFFFAOYSA-N
DG52263	Mitonafide	327044	"Mitonafide; 54824-17-8; NSC 300288; UNII-06Q0V17SI9; N-(2-(Dimethylamino)ethyl)-3-nitronaphthalimide; MLS002702955; 06Q0V17SI9; NSC300288; NSC-300288; 1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-(2-(dimethylamino)ethyl)-5-nitro-; Mitonafide [INN]; Mitonafida; Mitonafidum; Mitonafidum [INN-Latin]; 2-(2-(dimethylamino)ethyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione; Mitonafida [INN-Spanish]; M 4212 (Pharmaceutical); M 4212; M-4212; BRN 1550151; 1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[2-(dimethylamino)ethyl]-5-nitro-; 2-((Dimethylamino)ethyl)-2,3-dihydro-5-nitro-2-azaphenalen-1,3-dion; 2-(2-(Dimethylamino)ethyl)-5-nitro-1H-benz(de)isoquinoline-1,3(2H)-dione; Neuro_000150; SCHEMBL62046; CHEMBL43482; DTXSID90203321; NAPHTHALIMIDE, 2-(2-(DIMETHYLAMINO)ETHYL)-5-NITRO-; ZINC3798955; NCI60_002518; SMR001566769; DB-083187; FT-0672422; Q27236211; 1H-Benz[de]isoquinoline-1, 2-[2-(dimethylamino)ethyl]-5-nitro-; 2-(2-dimethylaminoethyl)-5-nitro-benzo[de]isoquinoline-1,3-dione; 2-[2-(dimethylamino)ethyl]-5-nitrobenzo[de]isoquinoline-1,3-dione; 1H-Benz[de]isoquinoline-1,3 (2H)-dione, 2-[2-(Dimethylamino)ethyl]-5-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	300288	.	.	.	.	313.31	C16H15N3O4	86.4	516	2	23	0	5	3	"InChI=1S/C16H15N3O4/c1-17(2)6-7-18-15(20)12-5-3-4-10-8-11(19(22)23)9-13(14(10)12)16(18)21/h3-5,8-9H,6-7H2,1-2H3"	CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-]	XXVLKDRPHSFIIB-UHFFFAOYSA-N
DG52264	Pinafide	327045	"Pinafide; 54824-20-3; UNII-1OZ94FI615; MLS000766256; 5-nitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione; 1OZ94FI615; M-12210; NSC300289; NSC-300289; SMR000528858; M 12210; MADE 12210; NSC 300289; Pinafida; Pinafidum; Pinafide [INN]; Pinafidum [INN-Latin]; Pinafida [INN-Spanish]; NSC 300289; BRN 1553168; SCHEMBL18697; CHEMBL46874; cid_327045; BDBM47509; ZINC4217305; 1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-(2-(pyrrolidinyl)ethyl)-5-nitro-; DB-083188; FT-0758650; 3-Nitro-N-(2-(1-pyrrolidinyl)ethyl)naphthalimide; Q27252696; NAPHTHALIMIDE, 2-(2-(PYRROLIDINYL)ETHYL)-5-NITRO-; 1H-Benz[de]isoquinoline-1, 5-nitro-2-[2-(1-pyrrolidinyl)ethyl]-; 5-nitro-2-(2-pyrrolidinoethyl)benzo[de]isoquinoline-1,3-quinone; 5-nitro-2-[2-(1-pyrrolidinyl)ethyl]benzo[de]isoquinoline-1,3-dione; {1H-Benz[de]isoquinoline-1,3(2H)-dione,} {5-nitro-2-[2-(1-pyrrolidinyl)ethyl]-}; 5-Nitro-2-(2-(1-pyrrolidinyl)ethyl)-1H-benz(de)isoquinoline-1,3(2H)-dione; 5-(Hydroxy(oxido)amino)-2-(2-(1-pyrrolidinyl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	300289	.	.	.	.	339.3	C18H17N3O4	86.4	569	2.5	25	0	5	3	"InChI=1S/C18H17N3O4/c22-17-14-5-3-4-12-10-13(21(24)25)11-15(16(12)14)18(23)20(17)9-8-19-6-1-2-7-19/h3-5,10-11H,1-2,6-9H2"	C1CCN(C1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]	GBOQUHPYCRYKGV-UHFFFAOYSA-N
DG52265	"[1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylphenyl)pyrrol-3-yl]methyl N-methylcarbamate"	327239	"70889-19-9; NSC301480; CHEMBL1995711; DTXSID10316265; ZINC1873941; NSC-301480; [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylphenyl)pyrrol-3-yl]methyl N-methylcarbamate; NCI60_002530; 1H-Pyrrole-3, 2-[1,1'-biphenyl]-4-yl-1,5-dimethyl-, bis(methylcarbamate) (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	301480	.	.	.	.	421.5	C24H27N3O4	81.6	587	3.4	31	2	4	8	"InChI=1S/C24H27N3O4/c1-16-20(14-30-23(28)25-2)21(15-31-24(29)26-3)22(27(16)4)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13H,14-15H2,1-4H3,(H,25,28)(H,26,29)"	CC1=C(C(=C(N1C)C2=CC=C(C=C2)C3=CC=CC=C3)COC(=O)NC)COC(=O)NC	ZSOIFICKFJJSNP-UHFFFAOYSA-N
DG52266	2-Methyl-2-[4-(Naphthalen-1-Yl)phenoxy]propanoic Acid	327338	"NSC302042; NSC-302042; 2-Methyl-2-[4-(Naphthalen-1-Yl)phenoxy]propanoic Acid; 65W; NCIStruc1_001884; NCIStruc2_001439; CHEMBL1600564; ZINC1567038; CCG-37045; NCGC00014672; NCI302042; NCGC00014672-02; NCGC00097775-01; NCI60_002540; 2-methyl-2-(4-(1-naphthyl)phenoxy)propanoic acid; Propanoic acid, 2-methyl-2-[4-(1-naphthalenyl)phenoxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302042	.	.	.	.	306.4	C20H18O3	46.5	409	5	23	1	3	4	"InChI=1S/C20H18O3/c1-20(2,19(21)22)23-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3,(H,21,22)"	CC(C)(C(=O)O)OC1=CC=C(C=C1)C2=CC=CC3=CC=CC=C32	JTWKEZBNKHBDAW-UHFFFAOYSA-N
DG52267	Bohlmann K2604	327375	NSC302286; BOHLMANN K2604; CHEMBL1988646; NSC-302286; NCI60_002541	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302286	.	.	.	.	336.5	C20H32O4	66.8	534	4.2	24	2	4	4	"InChI=1S/C20H32O4/c1-11(2)7-17(22)24-19-16-9-14(21)8-13(5)20(16,6)10-15(12(3)4)18(19)23/h7,13-16,18-19,21,23H,3,8-10H2,1-2,4-6H3"	CC1CC(CC2C1(CC(C(C2OC(=O)C=C(C)C)O)C(=C)C)C)O	JGLTUIDSFQWPBH-UHFFFAOYSA-N
DG52268	Bohlmann K2630	327377	NSC302288; BOHLMANN K2630; CHEMBL2004799; NSC-302288; NCI60_002543	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302288	.	.	.	.	392.4	C21H28O7	88.1	567	4	28	0	7	12	"InChI=1S/C21H28O7/c1-8-15(12-26-20(24)21(5,6)28-14(4)22)16-9-10-17(18(11-16)25-7)27-19(23)13(2)3/h8-11,13,15H,1,12H2,2-7H3"	CC(C)C(=O)OC1=C(C=C(C=C1)C(COC(=O)C(C)(C)OC(=O)C)C=C)OC	KTYZMIZSVMYQBQ-UHFFFAOYSA-N
DG52269	Bohlmann K2631	327378	"BOHLMANN K2631; (+)-Alantolactone; NSC302289; 546-43-0; 1407-14-3; Alantic anhydride; 5,8a-dimethyl-3-methylene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f]benzofuran-2-one; (3aR,5S,8aR,9aR)-5,8a-Dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzoxol-2-one; SR-01000314259; EINECS 215-803-3; Alantolacetone; Helenine ; Putative_Alantolactone; BAS 00674051; CHEMBL8831; SCHEMBL15944429; CHEBI:177830; AKOS000635321; NSC-302289; 5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one; LS-14417; NCI60_002544; FT-0653947; A830281; SR-01000314259-1; SR-01000314259-2; 5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[][1]benzouran-2-one; 80367-94-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302289	.	.	.	.	232.32	C15H20O2	26.3	421	3.7	17	0	2	0	"InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3"	CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C	PXOYOCNNSUAQNS-UHFFFAOYSA-N
DG52270	"2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine"	327404	"21813-35-4; NSC302325; CHEMBL59530; MLS002701796; 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine; 2,4-Pyrimidinediamine,5-(4-chloro-3-nitrophenyl)-6-ethyl-; 5-(4-Chloro-3-nitro-phenyl)-6-ethyl-pyrimidine-2,4-diamine; 5-(4-chloro-3-nitrophenyl)-6-ethylpyrimidine-2,4-diamine; Neuro_000154; SCHEMBL6359292; DTXSID30176227; ZINC1567107; BDBM50058408; AKOS032958148; NSC 302325; NSC-302325; NCI60_002551; SMR001565390; 2, 5-(4-chloro-3-nitrophenyl)-6-ethyl-; 2,4-diamino-5-(4-chloro-3-nitrophenyl)-6-ethylpyrimidine; 2,4-Diamino-6-ethyl-5-(3-nitro-4-chlorophenyl)pyrimidine; 2,4-diamino-6-ethyl-5-(4-chloro-3-nitrophenyl)pyrimidine; 2,4-diamino-6-ethyl-5-(4-chloro3-nitrophenyl)pyrimidine; Pyrimidine,4-diamino-5-(4-chloro-3-nitrophenyl)-6-ethyl-; 2,4,-Diamino-5-(4-chloro-3-nitrophenyl)-6-ethylpyrimidine; 2,4-Diamino-5-(4-chloro-3-nitro phenyl)-6-ethylpyrimidine; 2,4-Pyrimidinediamine, 5-(4-chloro-3-nitrophenyl)-6-ethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302325	.	.	.	.	293.71	C12H12ClN5O2	124	353	2.3	20	2	6	2	"InChI=1S/C12H12ClN5O2/c1-2-8-10(11(14)17-12(15)16-8)6-3-4-7(13)9(5-6)18(19)20/h3-5H,2H2,1H3,(H4,14,15,16,17)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]	JUUBFXIMFOJFOF-UHFFFAOYSA-N
DG52271	Shikoccin	327536	"Shikoccin; MLS002701797; NSC302979; 73211-11-7; Isodon Shikokianus compound A; CHEMBL1699228; DTXSID20316392; ISODON SHIKOKIANUS, COMPOUND A; NSC-302979; NCI60_002557; SMR001565391"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302979	.	.	.	.	374.5	C22H30O5	80.7	731	2.6	27	1	5	2	"InChI=1S/C22H30O5/c1-12-14-6-7-18(25)22(5)9-8-19(27-13(2)23)21(3,4)17(22)11-16(24)15(10-14)20(12)26/h10,14,16-17,19,24H,1,6-9,11H2,2-5H3"	CC(=O)OC1CCC2(C(C1(C)C)CC(C3=CC(CCC2=O)C(=C)C3=O)O)C	SZAHIEIJJDKFRX-UHFFFAOYSA-N
DG52272	2-Cyanoethyl 2-iminocyclopentanecarbodithioate	327580	"NSC303289; MLS003115777; 63018-11-1; NSC-303289; 2-cyanoethyl 2-iminocyclopentanecarbodithioate; CHEMBL1982683; DTXSID00316411; NCI60_002561; SMR001831343; Cyclopentanecarbodithioic acid, 2-cyanoethyl ester; Cyclopentanecarbodithioic acid, 2-imino-, 2-cyanoethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	303289	.	.	.	.	212.3	C9H12N2S2	105	264	1.4	13	1	4	4	"InChI=1S/C9H12N2S2/c10-5-2-6-13-9(12)7-3-1-4-8(7)11/h7,11H,1-4,6H2"	C1CC(C(=N)C1)C(=S)SCCC#N	BXYQFEVQIURBAI-UHFFFAOYSA-N
DG52273	"1,2-Bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethane"	327606	"NSC303530; NSC-303530; CHEMBL382617; 64762-53-4; NSC 303530; NCIStruc1_000837; NCIStruc2_000846; DTXSID40316430; ZINC1567332; BDBM50180789; CCG-36738; NCGC00014676; NCI303530; NCGC00014676-02; NCGC00097779-01; NCI60_002562; 1,2-bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethane; 7-methyl-3-(2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-[1,2,4]triazolo[4,3-a]pyridine; 7-methyl-3-(2-(7-methyl[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)[1,2,4]triazolo[4,3-a]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	303530	.	.	.	.	292.34	C16H16N6	60.4	355	3.4	22	0	4	3	"InChI=1S/C16H16N6/c1-11-5-7-21-13(17-19-15(21)9-11)3-4-14-18-20-16-10-12(2)6-8-22(14)16/h5-10H,3-4H2,1-2H3"	CC1=CC2=NN=C(N2C=C1)CCC3=NN=C4N3C=CC(=C4)C	YZJYQGRMFVKPAP-UHFFFAOYSA-N
DG52274	"3-((Cyclohexyloxy)methyl)-4,4-dimethyl-1,3-oxazolidine"	327610	"NSC303534; NSC-303534; Oxazolidene,4-dimethyl-; Oxazolidine,4-dimethyl-; NCIStruc1_000757; NCIStruc2_000728; CHEMBL1741710; CCG-37842; NCGC00014677; NCI303534; ZINC31760775; NCGC00014677-02; NCGC00097780-01; NCI60_002563; 3-((cyclohexyloxy)methyl)-4,4-dimethyl-1,3-oxazolidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	303534	.	.	.	.	213.32	C12H23NO2	21.7	200	2.4	15	0	3	3	"InChI=1S/C12H23NO2/c1-12(2)8-14-9-13(12)10-15-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3"	CC1(COCN1COC2CCCCC2)C	RVHQEWPGKMOMPN-UHFFFAOYSA-N
DG52275	"2-(3-Benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2H-1,4-benzothiazin-3(4H)-one"	327685	"54255-31-1; NSC303751; DTXSID00316471; NSC-303751; 2-(3-Benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2H-1,4-benzothiazin-3(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	303751	.	.	.	.	386.5	C18H14N2O2S3	132	565	3.6	25	1	5	3	"InChI=1S/C18H14N2O2S3/c21-16-14(24-13-9-5-4-8-12(13)19-16)15-17(22)20(18(23)25-15)10-11-6-2-1-3-7-11/h1-9,14-15H,10H2,(H,19,21)"	C1=CC=C(C=C1)CN2C(=O)C(SC2=S)C3C(=O)NC4=CC=CC=C4S3	UVLNNIKGDNAHSD-UHFFFAOYSA-N
DG52276	"2-isonicotinoyl-5-methyl-4-(2-naphthyldiazenyl)-2,4-dihydro-3H-pyrazol-3-one"	327703	"NSC303769; MLS002701798; 78503-85-2; 2-isonicotinoyl-5-methyl-4-(2-naphthyldiazenyl)-2,4-dihydro-3H-pyrazol-3-one; NSC-303769; CHEMBL1706224; CHEMBL1979627; SCHEMBL13090884; SCHEMBL13669606; DTXSID10316487; NCI60_002567; SMR001565392; DS-013412"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	303769	.	.	.	.	357.4	C20H15N5O2	87.4	640	3.4	27	0	6	3	"InChI=1S/C20H15N5O2/c1-13-18(20(27)25(24-13)19(26)15-8-10-21-11-9-15)23-22-17-7-6-14-4-2-3-5-16(14)12-17/h2-12,18H,1H3"	CC1=NN(C(=O)C1N=NC2=CC3=CC=CC=C3C=C2)C(=O)C4=CC=NC=C4	CGZXHGCNAPWCCI-UHFFFAOYSA-N
DG52277	"5-Benzyl-3-(furan-2-ylmethyl)-1,3,5-thiadiazinane-2-thione"	327741	"MLS003115793; 26105-64-6; NSC303870; Oprea1_613387; CHEMBL1874177; DTXSID40316511; ZINC31760835; NSC-303870; SMR001831359; DS-008750; 2H-1,3,5-THIADIAZINE-2-THIONE,3-(2-FURANYLMETHYL)TETRAHYDRO-5-(PHENYLMETHYL)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	303870	.	.	.	.	304.4	C15H16N2OS2	77	334	3.4	20	0	4	4	"InChI=1S/C15H16N2OS2/c19-15-17(10-14-7-4-8-18-14)11-16(12-20-15)9-13-5-2-1-3-6-13/h1-8H,9-12H2"	C1N(CSC(=S)N1CC2=CC=CO2)CC3=CC=CC=C3	YVGRTHFXWYEKNL-UHFFFAOYSA-N
DG52278	"3-(4-Methoxyphenyl)-5,5,5-triphenyl-4,5-dihydro-1,2,5lambda~5~-oxazaphosphole"	327851	"NCIMech_000417; CHEMBL1999505; DTXSID90991791; ZINC73417898; NSC-304610; NCI60_002573; 3-(4-Methoxyphenyl)-5,5,5-triphenyl-4,5-dihydro-1,2,5lambda~5~-oxazaphosphole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	304610	.	.	.	.	425.5	C27H24NO2P	30.8	575	6.5	31	0	3	5	"InChI=1S/C27H24NO2P/c1-29-23-19-17-22(18-20-23)27-21-31(30-28-27,24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20H,21H2,1H3"	COC1=CC=C(C=C1)C2=NOP(C2)(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5	NIMKUIZJGMIFAP-UHFFFAOYSA-N
DG52279	"6,7-Dimethoxy-3-phenylisoquinoline"	327861	"6,7-dimethoxy-3-phenylisoquinoline; 24285-10-7; NSC304636; MLS001360843; ISUPSL100300; SCHEMBL3318438; CHEMBL1706856; DTXSID10316568; HMS2224M21; HMS3355C11; 3-Phenyl-6,7-dimethoxyisoquinoline; ZINC1567648; NSC-304636; SMR001216325; DS-001568; ISOQUINOLINE,6,7-DIMETHOXY-3-PHENYL-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	304636	.	.	.	.	265.31	C17H15NO2	31.4	303	3.7	20	0	3	3	"InChI=1S/C17H15NO2/c1-19-16-9-13-8-15(12-6-4-3-5-7-12)18-11-14(13)10-17(16)20-2/h3-11H,1-2H3"	COC1=C(C=C2C=NC(=CC2=C1)C3=CC=CC=C3)OC	HWDYURZFTCCAGV-UHFFFAOYSA-N
DG52280	"6-(4-Chlorophenyl)sulfanylquinazoline-2,4-diamine"	328131	"MLS003115818; NSC305767; 51124-29-9; 2,4-Quinazolinediamine, 6-((4-chlorophenyl)thio)-; 2,4-Quinazolinediamine, 6-[(4-chlorophenyl)thio]-; 6-(4-chlorophenyl)sulfanylquinazoline-2,4-diamine; 2,4-Quinazolinediamine der.; CHEMBL1877296; SCHEMBL11883424; DTXSID00316698; 2, 6-[(4-chlorophenyl)thio]-; ZINC13207519; NSC-305767; SMR001831384; 2,4-Diamino-6-[[p-chlorophenyl]thio]quinazoline; 6-[(4-Chlorophenyl)thio]quinazoline-2,4-diamine; 6-[(4-Chlorophenyl)sulfanyl]-2,4-quinazolinediamine #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305767	.	.	.	.	302.8	C14H11ClN4S	103	324	3.7	20	2	5	2	"InChI=1S/C14H11ClN4S/c15-8-1-3-9(4-2-8)20-10-5-6-12-11(7-10)13(16)19-14(17)18-12/h1-7H,(H4,16,17,18,19)"	C1=CC(=CC=C1SC2=CC3=C(C=C2)N=C(N=C3N)N)Cl	OFGRXGJDGPQWBD-UHFFFAOYSA-N
DG52281	"Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine"	328132	MLS003115819; 52128-16-2; NSC305768; CHEMBL1886075; DTXSID60316699; NSC-305768; SMR001831385	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305768	.	.	.	.	394.3	C17H17Cl2N5O2	127	403	.	26	4	7	3	"InChI=1S/C15H13Cl2N5.C2H4O2/c16-11-3-2-9(6-12(11)17)20-7-8-1-4-13-10(5-8)14(18)22-15(19)21-13;1-2(3)4/h1-6,20H,7H2,(H4,18,19,21,22);1H3,(H,3,4)"	CC(=O)O.C1=CC2=C(C=C1CNC3=CC(=C(C=C3)Cl)Cl)C(=NC(=N2)N)N	AFPICYPZQDYTKK-UHFFFAOYSA-N
DG52282	"2,4-Quinazolinediamine, 6-(phenylsulfonyl)-"	328137	"2,4-Quinazolinediamine, 6-(phenylsulfonyl)-; 51123-24-1; NSC305783; 2, 6-(phenylsulfonyl)-; CHEMBL3246148; DTXSID90316703; ZINC6184631; NSC-305783; 2,4-Diamino-6-[phenylsulfonyl]quinazoline; DS-003651; 6-(Phenylsulfonyl)-2,4-quinazolinediamine #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305783	.	.	.	.	300.34	C14H12N4O2S	120	458	1.8	21	2	6	2	"InChI=1S/C14H12N4O2S/c15-13-11-8-10(6-7-12(11)17-14(16)18-13)21(19,20)9-4-2-1-3-5-9/h1-8H,(H4,15,16,17,18)"	C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N=C3N)N	PPVKDCRCHJWCLK-UHFFFAOYSA-N
DG52283	"6-{[3-(Trifluoromethyl)phenyl]sulfonyl}-2,4-quinazolinediamine"	328138	"MLS003115821; 51123-89-8; 6-{[3-(Trifluoromethyl)phenyl]sulfonyl}-2,4-quinazolinediamine; NSC305784; CHEMBL1873240; DTXSID50316704; ZINC6184632; NSC-305784; SMR001831387; 2, 6-[[3-(trifluoromethyl)phenyl]sulfonyl]-; 2,4-Quinazolinediamine, 6-[[3-(trifluoromethyl)phenyl]sulfonyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305784	.	.	.	.	368.3	C15H11F3N4O2S	120	580	2.5	25	2	9	2	"InChI=1S/C15H11F3N4O2S/c16-15(17,18)8-2-1-3-9(6-8)25(23,24)10-4-5-12-11(7-10)13(19)22-14(20)21-12/h1-7H,(H4,19,20,21,22)"	C1=CC(=CC(=C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N=C3N)N)C(F)(F)F	LMXPIDHKKSVTCS-UHFFFAOYSA-N
DG52284	"2,4-Quinazolinediamine, 6-[[4-(dimethylamino)phenyl]thio]-"	328145	"MLS003115824; 51124-02-8; NSC305799; CHEMBL1879109; DTXSID30316707; ZINC1568037; NSC-305799; SMR001831390; 2, 6-[[4-(dimethylamino)phenyl]thio]-; 2,4-Quinazolinediamine, 6-[[4-(dimethylamino)phenyl]thio]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305799	.	.	.	.	311.4	C16H17N5S	106	358	3.2	22	2	6	3	"InChI=1S/C16H17N5S/c1-21(2)10-3-5-11(6-4-10)22-12-7-8-14-13(9-12)15(17)20-16(18)19-14/h3-9H,1-2H3,(H4,17,18,19,20)"	CN(C)C1=CC=C(C=C1)SC2=CC3=C(C=C2)N=C(N=C3N)N	XBBZMWRNKBGJPJ-UHFFFAOYSA-N
DG52285	"1-(2, Phosphoric acid"	328154	"NSC305819; MLS002701800; NSC-305819; 1-(2, phosphoric acid; CHEMBL1903641; SMR001565394; phosphoric acid compound with 1-(2,8-bis(trifluoromethyl)-4-quinolinyl)-3-(tert-butylamino)-1-propanol (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305819	.	.	.	.	492.3	C18H23F6N2O5P	123	538	.	32	5	13	5	"InChI=1S/C18H20F6N2O.H3O4P/c1-16(2,3)25-8-7-13(27)11-9-14(18(22,23)24)26-15-10(11)5-4-6-12(15)17(19,20)21;1-5(2,3)4/h4-6,9,13,25,27H,7-8H2,1-3H3;(H3,1,2,3,4)"	CC(C)(C)NCCC(C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F)O.OP(=O)(O)O	VJZWDKXYFVTRRS-UHFFFAOYSA-N
DG52286	NSC306393	328256	"[4-[[3-[(4-azanidylsulfonylphenyl)diazenyl]-8-[(2,2-dichloroacetyl)amino]-4-(2,2-dichloroacetyl)oxynaphthalen-1-yl]diazenyl]phenyl]sulfonylazanide;3,4-dimethyl-5H-1,2-oxazol-5-ide;silver; NSC306393; NSC-306393"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	306393	.	.	.	.	1153.3	C36H29Ag2Cl4N9O9S2-4	235	1920	.	62	3	19	11	"InChI=1S/C26H18Cl4N7O7S2.2C5H6NO.2Ag/c27-23(28)25(38)33-18-3-1-2-17-21(18)19(36-34-13-4-8-15(9-5-13)45(31,40)41)12-20(22(17)44-26(39)24(29)30)37-35-14-6-10-16(11-7-14)46(32,42)43;2*1-4-3-7-6-5(4)2;;/h1-12,23-24H,(H4-,31,32,33,38,40,41,42,43);2*1-2H3;;/q3*-1;;/p-1"	CC1=[C-]ON=C1C.CC1=[C-]ON=C1C.C1=CC2=C(C(=C1)NC(=O)C(Cl)Cl)C(=CC(=C2OC(=O)C(Cl)Cl)N=NC3=CC=C(C=C3)S(=O)(=O)[NH-])N=NC4=CC=C(C=C4)S(=O)(=O)[NH-].[Ag].[Ag]	OXNPTLFTKQGULA-UHFFFAOYSA-M
DG52287	"2,3,7-trichloro-10H-phenothiazine-1,4-dione"	328364	NSC306736; CHEMBL1983059; ZINC1568360; NSC-306736	.	.	Investigative Drug(s)	Investigative	Small molecular drug	306736	.	.	.	.	332.6	C12H4Cl3NO2S	71.5	543	4.4	19	1	4	0	"InChI=1S/C12H4Cl3NO2S/c13-4-1-2-5-6(3-4)19-12-9(16-5)10(17)7(14)8(15)11(12)18/h1-3,16H"	C1=CC2=C(C=C1Cl)SC3=C(N2)C(=O)C(=C(C3=O)Cl)Cl	HYUMDPDNCXJVQD-UHFFFAOYSA-N
DG52288	"1-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea"	328377	"35224-67-0; 1-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea; NSC306752; N-(3-chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)urea; MLS000757045; NSC-306752; SMR000528904; 1-(3-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea; NCIStruc1_000741; NCIStruc2_000946; MLS001165568; CHEMBL1358810; DTXSID40316773; HMS2871P13; ZINC329885; CCG-37825; MFCD00454022; NCGC00014691; NCI306752; STK061493; AKOS000619716; MCULE-2369068427; NCGC00014691-02; NCGC00097794-01; NCI60_002615; DS-004545; CS-0320248; 6R-0023; 3-(3-chlorophenyl)-1-(1,2,4-triazol-4-yl)urea; N-(3-chlorophenyl)-N'-4H-1,2,4-triazol-4-ylurea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	306752	.	.	.	.	237.64	C9H8ClN5O	71.8	246	1	16	2	3	2	"InChI=1S/C9H8ClN5O/c10-7-2-1-3-8(4-7)13-9(16)14-15-5-11-12-6-15/h1-6H,(H2,13,14,16)"	C1=CC(=CC(=C1)Cl)NC(=O)NN2C=NN=C2	UOWPKVIDUNKFOK-UHFFFAOYSA-N
DG52289	Polyphyllin B	328441	"Polyphyllin B; Formosanin C; 50773-42-7; DIOSGENIN TETRAGLYCOSIDE; NSC306864; 2-[4,5-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol; CHEMBL2004307; DTXSID50965019; NSC-306864; LS-15499; NCI60_002618; FT-0776309; Spirost-5-en-3-yl 6-deoxyhexopyranosyl-(1->2)-[6-deoxyhexopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->4)]hexopyranoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	306864	.	.	.	.	1015.2	C51H82O20	295	1900	0.2	71	10	20	9	"InChI=1S/C51H82O20/c1-20-10-15-51(62-19-20)21(2)32-30(71-51)17-29-27-9-8-25-16-26(11-13-49(25,6)28(27)12-14-50(29,32)7)66-48-44(70-46-39(59)36(56)34(54)23(4)64-46)41(61)43(31(18-52)67-48)69-47-40(60)37(57)42(24(5)65-47)68-45-38(58)35(55)33(53)22(3)63-45/h8,20-24,26-48,52-61H,9-19H2,1-7H3"	CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)C)O)O)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)OC1	OZIHYFWYFUSXIS-UHFFFAOYSA-N
DG52290	"2-[(2,3,6,7-Tetramethylbicyclo[4.4.0]dec-7-en-2-yl)methyl]benzene-1,4-diol"	328503	"2-[(2,3,6,7-tetramethylbicyclo[4.4.0]dec-7-en-2-yl)methyl]benzene-1,4-diol; NSC306951; 2-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]benzene-1,4-diol; CHEMBL1984731; SCHEMBL21397196; AKOS024365747; MCULE-8885873146; NSC-306951; NCI60_002622; 2-[(1,2,4A,5-TETRAMETHYL-1,2,3,4,4A,7,8,8A-OCTAHYDRO-1-NAPHTHALENYL)METHYL]-1,4-BENZENEDIOL"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	306951	.	.	.	.	314.5	C21H30O2	40.5	471	6	23	2	2	2	"InChI=1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h6,8-9,12,15,19,22-23H,5,7,10-11,13H2,1-4H3"	CC1CCC2(C(C1(C)CC3=C(C=CC(=C3)O)O)CCC=C2C)C	JSPUCPNQXKTYRO-UHFFFAOYSA-N
DG52291	4-Hydroxy-7-benzyloxyquinoline-3-carboxylic acid	328505	NSC306960; 17825-22-8; 4-hydroxy-7-benzyloxyquinoline-3-carboxylic acid; CHEMBL157710; 4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylic acid; NSC-306960; NCIStruc1_000956; NCIStruc2_000903; SCHEMBL17338607; DTXSID70316807; ZINC3954550; BDBM50404725; CCG-36849; NCGC00014692; NCI306960; NCGC00014692-02; NCGC00097795-01; NCI60_002623; DS-001419; 7-Benzyloxy-4-hydroxy-quinoline-3-carboxylic acid; 7-(benzyloxy)-4-hydroxy-3-quinolinecarboxylic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	306960	.	.	.	.	295.29	C17H13NO4	75.6	467	3.3	22	2	5	4	"InChI=1S/C17H13NO4/c19-16-13-7-6-12(22-10-11-4-2-1-3-5-11)8-15(13)18-9-14(16)17(20)21/h1-9H,10H2,(H,18,19)(H,20,21)"	C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=O)C(=CN3)C(=O)O	ABQKYBVDVAXVNO-UHFFFAOYSA-N
DG52292	NSC307990	328650	"[3-acetyloxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl] acetate; 73113-92-5; [3-acetyloxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl] acetate; NSC307990; DTXSID60993863; NSC-307990; 3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3,4-di-o-acetyl-2,6-dideoxyhexopyranoside; 5, 10-[(3,4-di-O-acetyl-2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	307990	.	.	.	.	628.6	C31H32O14	212	1190	2.7	45	4	14	9	"InChI=1S/C31H32O14/c1-12-30(44-14(3)34)18(43-13(2)33)8-21(42-12)45-19-10-31(40,20(35)11-32)9-16-23(19)29(39)25-24(27(16)37)26(36)15-6-5-7-17(41-4)22(15)28(25)38/h5-7,12,18-19,21,30,32,37,39-40H,8-11H2,1-4H3/t12 ,18 ,19-,21 ,30 ,31-/m0/s1"	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)OC(=O)C)OC(=O)C	FCYRUGFDQOKETE-AXBADRFBSA-N
DG52293	10-(2-Ethoxybenzylidene)-9-anthrone	328716	NSC308787; CHEMBL2000710; ZINC1568751; AKOS024334830; MCULE-9826324678; NSC-308787; NCI60_002637; 10-(2-ETHOXYBENZYLIDENE)-9-ANTHRONE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	308787	.	.	.	.	326.4	C23H18O2	26.3	480	5.3	25	0	2	3	"InChI=1S/C23H18O2/c1-2-25-22-14-8-3-9-16(22)15-21-17-10-4-6-12-19(17)23(24)20-13-7-5-11-18(20)21/h3-15H,2H2,1H3"	CCOC1=CC=CC=C1C=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42	PYHQRWGUQOENPZ-UHFFFAOYSA-N
DG52294	"5-Methoxy-2-(2-(1-pyrrolidinyl)ethyl)-1H-benzo(de)isoquinoline-1,3(2H)-dione"	328772	"69408-99-7; MLS003115866; NSC308846; UNII-AG542XU5YV; AG542XU5YV; SMR001831432; 5-methoxy-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione; 5-Methoxy-2-(2-(1-pyrrolidinyl)ethyl)-1H-benzo(de)isoquinoline-1,3(2H)-dione; 5-Methoxy-2-(2-(1-pyrrolidinyl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione; NSC 308846; cid_328772; CHEMBL1892757; SCHEMBL11434790; BDBM83859; DTXSID70219566; ZINC5640618; NSC-308846; 5-METHOXY-2-(2-(PYRROLIDIN-1-YL)ETHYL)-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE; N-(2-Pyrrolizinoethyl)-3-methoxy-1,8-naphthalenedicarbimide; 5-methoxy-2-(2-pyrrolidinoethyl)benzo[de]isoquinoline-1,3-quinone; 5-methoxy-2-[2-(1-pyrrolidinyl)ethyl]benzo[de]isoquinoline-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	308846	.	.	.	.	324.4	C19H20N2O3	49.8	503	2.6	24	0	4	4	"InChI=1S/C19H20N2O3/c1-24-14-11-13-5-4-6-15-17(13)16(12-14)19(23)21(18(15)22)10-9-20-7-2-3-8-20/h4-6,11-12H,2-3,7-10H2,1H3"	COC1=CC2=C3C(=C1)C=CC=C3C(=O)N(C2=O)CCN4CCCC4	ZUQGGIPILNWNRC-UHFFFAOYSA-N
DG52295	"5-Amino-2-(2-(1-pyrrolidinyl)ethyl)-1H-benzo(de)isoquinoline-1,3(2H)-dione"	328774	"NSC308849; MLS000757037; 69408-83-9; UNII-1TW4LP4IB1; 1TW4LP4IB1; SMR000528909; 5-amino-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione; 5-Amino-2-(2-(1-pyrrolidinyl)ethyl)-1H-benzo(de)isoquinoline-1,3(2H)-dione; 1H-Benz[de]isoquinoline-1,3(2H)-dione, 5-amino-2-[2-(1-pyrrolidinyl)ethyl]-; 5-Amino-2-(2-(1-pyrrolidinyl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione; NSC 308849; cid_328774; CHEMBL1487460; BDBM51259; DTXSID50219564; HMS2853D21; ZINC5640620; NSC-308849; NCGC00246787-01; 1H-Benz[de]isoquinoline-1, 5-amino-2-[2-(1-pyrrolidinyl)ethyl]-; 5-amino-2-(2-pyrrolidinoethyl)benzo[de]isoquinoline-1,3-quinone; 5-amino-2-[2-(1-pyrrolidinyl)ethyl]benzo[de]isoquinoline-1,3-dione; 5-azanyl-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione; 2-(2-Pyrrolizinoethyl)-5-amino-1H-benzo[de]isoquinoline-1,3(2H)-dione; {1H-Benz[de]isoquinoline-1,3(2H)-dione,} {5-amino-2-[2-(1-pyrrolidinyl)ethyl]-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	308849	.	.	.	.	309.4	C18H19N3O2	66.6	489	2	23	1	4	3	"InChI=1S/C18H19N3O2/c19-13-10-12-4-3-5-14-16(12)15(11-13)18(23)21(17(14)22)9-8-20-6-1-2-7-20/h3-5,10-11H,1-2,6-9,19H2"	C1CCN(C1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)N	TXYIFVDECCPRPY-UHFFFAOYSA-N
DG52296	NSC308879	328778	"4,4,8,10,14-pentamethyl-17-(2,6,6-trimethyloxan-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol; Panaxadiol; 19666-76-3; NSC308879; 4,4,8,10,14-pentamethyl-17-(2,6,6-trimethyloxan-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol; Panaxol; Ginsengenin II; DTXSID10941430; 20,25-Epoxydammarane-3,12-diol; NSC-308879; NCI60_002646; FT-0686671; A813863; Dammarane-3,12-diol, 20,25-epoxy-, (3b,12b,20R)-; (3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol; 4,4,8,10,14-pentamethyl-17-(2,6,6-trimethyltetrahydropyran-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	308879	.	.	.	.	460.7	C30H52O3	49.7	789	6.9	33	2	3	1	"InChI=1S/C30H52O3/c1-25(2)13-9-14-30(8,33-25)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-32H,9-18H2,1-8H3"	CC1(CCCC(O1)(C)C2CCC3(C2C(CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)O)C)C	PVLHOJXLNBFHDX-UHFFFAOYSA-N
DG52297	"7H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 7-beta-D-ribofuranosyl-"	328780	"MLS003115867; 78582-20-4; NSC308881; CHEMBL1891690; DTXSID80316914; NSC-308881; SMR001831433; DS-006009; 7H-Pyrrolo[3,2,4]triazolo[1,5-c]pyrimidine, 7-.beta.-D-ribofuranosyl-; 7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine,7-b-d-ribofuranosyl-; 7H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 7-.beta.-D-ribofuranosyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	308881	.	.	.	.	291.26	C12H13N5O4	118	402	-1.1	21	3	7	2	"InChI=1S/C12H13N5O4/c18-3-7-8(19)9(20)12(21-7)16-2-1-6-10(16)14-5-17-11(6)13-4-15-17/h1-2,4-5,7-9,12,18-20H,3H2"	C1=CN(C2=C1C3=NC=NN3C=N2)C4C(C(C(O4)CO)O)O	LOUXALRPXGPCFM-UHFFFAOYSA-N
DG52298	"4-(3-Pyridinyl)-5-((3-(trifluoromethyl)phenyl)sulfonyl)-4,5-dihydropyrrolo[1,2-a]quinoxaline"	328919	"NSC309883; MLS003115874; 4-(3-pyridinyl)-5-((3-(trifluoromethyl)phenyl)sulfonyl)-4,5-dihydropyrrolo[1,2-a]quinoxaline; NSC-309883; CHEMBL1883437; SCHEMBL18134608; NCI60_002660; SMR001831440; 4-(Pyridin-3-yl)-5-((3-(trifluoromethyl)phenyl)sulfonyl)-4,5-dihydropyrrolo[1,2-a]quinoxaline; 906717-10-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	309883	.	.	.	.	455.5	C23H16F3N3O2S	63.6	771	4.1	32	0	7	3	"InChI=1S/C23H16F3N3O2S/c24-23(25,26)17-7-3-8-18(14-17)32(30,31)29-20-10-2-1-9-19(20)28-13-5-11-21(28)22(29)16-6-4-12-27-15-16/h1-15,22H"	C1=CC=C2C(=C1)N3C=CC=C3C(N2S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C5=CN=CC=C5	UAZQZAONUXSURN-UHFFFAOYSA-N
DG52299	4-Amino-5-((5-chloro-1-benzofuran-2-yl)carbonyl)-2-(4-chloro-2-methylanilino)-3-thiophenecarbonitrile	328931	NSC309895; NSC-309895; NCIStruc1_001602; NCIStruc2_001896; Oprea1_005838; CHEMBL552439; SCHEMBL4488435; ZINC1568969; CCG-37877; NCGC00014700; NCI309895; MCULE-1698455344; NCGC00014700-02; NCGC00097803-01; NCI60_002661; SR-01000632849-1; 4-amino-5-((5-chloro-1-benzofuran-2-yl)carbonyl)-2-(4-chloro-2-methylanilino)-3-thiophenecarbonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	309895	.	.	.	.	442.3	C21H13Cl2N3O2S	120	674	7.7	29	2	6	4	"InChI=1S/C21H13Cl2N3O2S/c1-10-6-12(22)2-4-15(10)26-21-14(9-24)18(25)20(29-21)19(27)17-8-11-7-13(23)3-5-16(11)28-17/h2-8,26H,25H2,1H3"	CC1=C(C=CC(=C1)Cl)NC2=C(C(=C(S2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl)N)C#N	NQDRSEQLRQZOHD-UHFFFAOYSA-N
DG52300	(3-Chlorobenzothiophen-2-yl)-[2-(2-chlorophenyl)imino-4-methylene-3-thia-1-azaspiro[4.5]decan-1-yl]methanone	329165	MLS000757020; SMR000528915; NSC310326; Maybridge1_000249; cid_329165; CHEMBL3197439; CHEMBL4202877; BDBM58109; HMS542D07; ZINC1569237; ZINC100392147; CCG-235128; MCULE-4196025514; NSC-310326; (3-chloranyl-1-benzothiophen-2-yl)-[2-(2-chlorophenyl)imino-4-methylidene-3-thia-1-azaspiro[4.5]decan-1-yl]methanone; (3-chloro-1-benzothiophen-2-yl)-[2-(2-chlorophenyl)imino-4-methylene-3-thia-1-azaspiro[4.5]decan-1-yl]methanone; (3-chloro-1-benzothiophen-2-yl)-[2-(2-chlorophenyl)imino-4-methylidene-3-thia-1-azaspiro[4.5]decan-1-yl]methanone; (3-chlorobenzothiophen-2-yl)-[2-(2-chlorophenyl)imino-4-methylene-3-thia-1-azaspiro[4.5]decan-1-yl]methanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	310326	.	.	.	.	487.5	C24H20Cl2N2OS2	86.2	754	8.2	31	0	4	2	"InChI=1S/C24H20Cl2N2OS2/c1-15-24(13-7-2-8-14-24)28(23(30-15)27-18-11-5-4-10-17(18)25)22(29)21-20(26)16-9-3-6-12-19(16)31-21/h3-6,9-12H,1-2,7-8,13-14H2"	C=C1C2(CCCCC2)N(C(=NC3=CC=CC=C3Cl)S1)C(=O)C4=C(C5=CC=CC=C5S4)Cl	CWFIQSRJYAZENI-UHFFFAOYSA-N
DG52301	"Benzenamine,2-[[[2-(4-chlorophenyl)-4-thiazolyl]methyl]thio]-"	329202	"NSC310365; MLS000757016; NSC-310365; NCIStruc1_001852; NCIStruc2_001549; CHEMBL476135; HMS2884D09; ZINC138096; Benzenamine,2-[[[2-(4-chlorophenyl)-4-thiazolyl]methyl]thio]-; CCG-37129; NCGC00014707; NCI310365; MCULE-9020333830; NCGC00014707-02; NCGC00097809-01; 501103-27-1; NCI60_002674; SMR000528917; 2-(((2-(4-chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	310365	.	.	.	.	332.9	C16H13ClN2S2	92.4	323	4.6	21	1	4	4	"InChI=1S/C16H13ClN2S2/c17-12-7-5-11(6-8-12)16-19-13(10-21-16)9-20-15-4-2-1-3-14(15)18/h1-8,10H,9,18H2"	C1=CC=C(C(=C1)N)SCC2=CSC(=N2)C3=CC=C(C=C3)Cl	PGYRTAKPHAXCFJ-UHFFFAOYSA-N
DG52302	Dehydrofarinosin	329302	"Dehydrofarinosin; NSC311053; 15569-50-3; Dehydro-Farinosin; CHEMBL2000615; DTXSID90935271; NSC-311053; 8a-methyl-3,5-dimethylidene-4,4a,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-2,6-dione; NCI60_002684; DS-000051; Eudesma-1,11(13)-trien-12-oic acid, 8.beta.-hydroxy-3-oxo-, .gamma.-lactone; 8a-Methyl-3,5-bismethylene-3a,4,4a,8a,9,9a-hexahydronaphtho[2,3-b]furan-2,6(3H,5H)-dione; 8a-Methyl-3,5-dimethylidene-3a,4a,5,8a,9,9a-hexahydronaphtho[2,3-b]furan-2,6(3H,4H)-dione; Naphtho[2,3-b]furan-2,6(3h,4h)-dione,3a,4a,5,8a,9,9a-hexahydro-8a-methyl-3,5-bis(methylene)-, (3ar,4ar,8as,9ar)-; Naphtho[2,6(3H,4H)-dione, 3a,4a,5,8a,9,9a-hexahydro-8a-methyl-3,5-bis(methylene)-, [3aR-(3a.alpha.,4a.alpha.,8a.beta.,9a.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	311053	.	.	.	.	244.28	C15H16O3	43.4	514	2.5	18	0	3	0	"InChI=1S/C15H16O3/c1-8-10-6-11-9(2)12(16)4-5-15(11,3)7-13(10)18-14(8)17/h4-5,10-11,13H,1-2,6-7H2,3H3"	CC12CC3C(CC1C(=C)C(=O)C=C2)C(=C)C(=O)O3	LXMUZMFQJGRVFW-UHFFFAOYSA-N
DG52303	"Pyrimidine, 4-[(2,4-dinitrophenyl)thio]-"	329304	"MLS003115909; 4-(2,4-dinitrophenyl)sulfanylpyrimidine; Pyrimidine, 4-[(2,4-dinitrophenyl)thio]-; 73768-68-0; NSC-311068; SMR001831472; NSC311068; cid_329304; CHEMBL1867341; BDBM83860; DTXSID20317107; Pyrimidine,4-dinitrophenyl)thio]-; ZINC1570296; 4-[(2,4-dinitrophenyl)thio]pyrimidine; DS-012376"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	311068	.	.	.	.	278.25	C10H6N4O4S	143	345	2.3	19	0	7	2	InChI=1S/C10H6N4O4S/c15-13(16)7-1-2-9(8(5-7)14(17)18)19-10-3-4-11-6-12-10/h1-6H	C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=NC=NC=C2	SLHSCOLZKJZFFU-UHFFFAOYSA-N
DG52304	"Benzenamine, N-(4,4,6-trimethylspiro[7-oxabicyclo[4.1.0]heptane-2,2'(5'H)-[1,3,4]oxadiazol]-5-ylidene)-"	329319	"MLS003170970; Benzenamine,4,6-trimethylspiro(7-oxabicyclo[4.1.0]heptane-2,2'(5'H)-[1,3,4]oxadiazol)-5-ylidene]-; Benzenamine,4,6-trimethylspiro[7-oxabicyclo[4.1.0]heptane-2,2'(5'H)-[1,3,4]oxadiazol]-5-ylidene)-; NSC311165; CHEMBL1868399; CHEMBL4296965; NSC-311165; SMR001874884; Benzenamine, N-(4,4,6-trimethylspiro[7-oxabicyclo[4.1.0]heptane-2,2'(5'H)-[1,3,4]oxadiazol]-5-ylidene)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	311165	.	.	.	.	285.34	C16H19N3O2	58.8	510	3.8	21	0	4	1	"InChI=1S/C16H19N3O2/c1-14(2)9-15(3)12(20-15)16(10-14)19-18-13(21-16)17-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3"	CC1(CC2(C(O2)C3(C1)N=NC(=NC4=CC=CC=C4)O3)C)C	MFTSRMJYWLCCSA-UHFFFAOYSA-N
DG52305	1-(4-Bromophenyl)-3-[2-[[3-(4-bromophenyl)-3-oxo-1-phenylpropylidene]amino]propylimino]-3-phenylpropan-1-one	329419	NSC311978; NSC-311978	.	.	Investigative Drug(s)	Investigative	Small molecular drug	311978	.	.	.	.	644.4	C33H28Br2N2O2	58.9	844	8	39	0	4	11	"InChI=1S/C33H28Br2N2O2/c1-23(37-31(25-10-6-3-7-11-25)21-33(39)27-14-18-29(35)19-15-27)22-36-30(24-8-4-2-5-9-24)20-32(38)26-12-16-28(34)17-13-26/h2-19,23H,20-22H2,1H3"	CC(CN=C(CC(=O)C1=CC=C(C=C1)Br)C2=CC=CC=C2)N=C(CC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4	CLSNOVHSYJOEEI-UHFFFAOYSA-N
DG52306	Straital B	329431	Straital B; Striatal B; NSC312033; NSC-312033; STRIATIN E; Striatin B; CHEMBL1212998; NCI60_002692	.	.	Investigative Drug(s)	Investigative	Small molecular drug	312033	.	.	.	.	488.6	C27H36O8	119	1030	1.3	35	2	8	4	"InChI=1S/C27H36O8/c1-13(2)16-6-7-25(4)8-9-26(5)21(20(16)25)17(30)10-15(11-28)19-23(26)35-24-27(19,32)22(31)18(12-33-24)34-14(3)29/h10-11,13,17-19,21,23-24,30,32H,6-9,12H2,1-5H3/t17-,18+,19+,21+,23-,24-,25+,26+,27+/m0/s1"	CC(C)C1=C2[C@H]3[C@H](C=C([C@@H]4[C@@H]([C@@]3(CC[C@]2(CC1)C)C)O[C@H]5[C@@]4(C(=O)[C@@H](CO5)OC(=O)C)O)C=O)O	XEYRAYPCKBTMBS-QSNZRAQQSA-N
DG52307	"O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate"	329459	"70096-91-2; NSC312439; bis(2-fluoro-2,2-dinitro-ethoxy)methanethione; O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate; NSC 312439; SCHEMBL8605180; CHEMBL1968942; DTXSID30220370; NSC-312439; NCI60_002693; DS-007274; bis(2-fluoro-2,2-dinitroethyl)thionocarbonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	312439	.	.	.	.	350.17	C5H4F2N4O10S	234	433	1.4	22	0	13	6	"InChI=1S/C5H4F2N4O10S/c6-4(8(12)13,9(14)15)1-20-3(22)21-2-5(7,10(16)17)11(18)19/h1-2H2"	C(C([N+](=O)[O-])([N+](=O)[O-])F)OC(=S)OCC([N+](=O)[O-])([N+](=O)[O-])F	WMUNXAZWYPTWDQ-UHFFFAOYSA-N
DG52308	Prieurianin	329486	"Prieurianin; 57672-91-0; NSC312621; [6-[5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] 2-hydroxy-3-methylpentanoate; [(3R,3aR,4R,5R,6S,7aS)-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] (2R,3R)-2-hydroxy-3-methylpentanoate; CHEMBL1989748; NSC-312621; NCI60_002695; PRIEURIANIN FROM GUAREA TRICHILIOIDES"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	312621	.	.	.	.	762.8	C38H50O16	229	1530	2.1	54	2	16	17	"InChI=1S/C38H50O16/c1-10-19(2)31(45)34(46)53-33-32(51-18-39)30(20(3)38(47)26(42)13-24(37(33,38)8)23-11-12-49-16-23)36(7)25(14-28(43)48-9)35(6,17-50-21(4)40)54-29(44)15-27(36)52-22(5)41/h11-12,16,18-19,24-25,27,30-33,45,47H,3,10,13-15,17H2,1-2,4-9H3"	CCC(C)C(C(=O)OC1C(C(C(=C)C2(C1(C(CC2=O)C3=COC=C3)C)O)C4(C(CC(=O)OC(C4CC(=O)OC)(C)COC(=O)C)OC(=O)C)C)OC=O)O	LRLMYQFHTXHFRH-UHFFFAOYSA-N
DG52309	"1-(1H-tetrazol-5-yl)pentane-1,2,3,4,5-pentol"	329517	"NSC624279; NSC624280; CHEMBL1966618; 1-C-(1H-Tetraazol-5-yl)pentitol; 5-[D-gluco-pentitol-1-yl]tetrazole; 5-[D-manno-pentitol-1-yl]tetrazole; NSC312810; NSC-312810; NSC-624279; NSC-624280; {5-[D-Gluco-pentitol-1-yl]tetrazole}; {5-[D-Manno-pentitol-1-yl]tetrazole}; NCI60_007293; NCI60_007294; 1-(1H-tetrazol-5-yl)pentane-1,2,3,4,5-pentol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624280	.	.	.	.	220.18	C6H12N4O5	156	196	-3.9	15	6	8	5	"InChI=1S/C6H12N4O5/c11-1-2(12)3(13)4(14)5(15)6-7-9-10-8-6/h2-5,11-15H,1H2,(H,7,8,9,10)"	C(C(C(C(C(C1=NNN=N1)O)O)O)O)O	VPUGXNYOCIAXLS-UHFFFAOYSA-N
DG52310	Diphenyl-[2-(2-phenylmethoxypropan-2-yl)phenyl]phosphane	329532	81073-05-4; NSC312825; diphenyl-[2-(2-phenylmethoxypropan-2-yl)phenyl]phosphane; CHEMBL2006651; DTXSID00317221; ZINC73371220; NSC-312825	.	.	Investigative Drug(s)	Investigative	Small molecular drug	312825	.	.	.	.	410.5	C28H27OP	9.2	467	6.3	30	0	1	7	"InChI=1S/C28H27OP/c1-28(2,29-22-23-14-6-3-7-15-23)26-20-12-13-21-27(26)30(24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-21H,22H2,1-2H3"	CC(C)(C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3)OCC4=CC=CC=C4	VZZKDGPXFKXDIR-UHFFFAOYSA-N
DG52311	"1,6-Hexanediamine, N1,N6-bis(7-dimethylamino-2-methyl-4-quinolinyl)-"	329576	"NSC313157; 4, N(4),N(4')-1,6-hexanediylbis(N(7),N(7),2-trimethyl-; 4, N(4),N(4')-1,6-hexanediylbis[N(7),N(7),2-trimethyl-; NCI0215; CHEMBL2003168; ZINC1570580; NSC-313157; NCI60_002700; 4, N4,N4'-1,6-hexanediylbis[N7,N7,2-trimethyl-; 1,6-Hexanediamine, N1,N6-bis(7-dimethylamino-2-methyl-4-quinolinyl)-; N4-[6-[[7-(dimethylamino)-2-methyl-4-quinolyl]amino]hexyl]-N7,N7,2-trimethyl-quinoline-4,7-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	313157	.	.	.	.	484.7	C30H40N6	56.3	587	6.6	36	2	6	11	"InChI=1S/C30H40N6/c1-21-17-27(25-13-11-23(35(3)4)19-29(25)33-21)31-15-9-7-8-10-16-32-28-18-22(2)34-30-20-24(36(5)6)12-14-26(28)30/h11-14,17-20H,7-10,15-16H2,1-6H3,(H,31,33)(H,32,34)"	CC1=CC(=C2C=CC(=CC2=N1)N(C)C)NCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)N(C)C	WIPLXGQXVUIAAM-UHFFFAOYSA-N
DG52312	"1,8-Octanediamine, N1,N8-bis(7-dimethylamino-2-methyl-4-quinolinyl)-"	329577	"NSC313158; CHEMBL1965120; ZINC5390317; NSC-313158; NCI60_002701; 4, N4,N4'-1,8-octanediylbis[N7,N7,2-trimethyl-; 4, N(4),N(4')-1,8-octanediylbis(N(7),N(7),2-trimethyl-; 1,8-Octanediamine, N1,N8-bis(7-dimethylamino-2-methyl-4-quinolinyl)-; N4-[8-[[7-(dimethylamino)-2-methyl-4-quinolyl]amino]octyl]-N7,N7,2-trimethyl-quinoline-4,7-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	313158	.	.	.	.	512.7	C32H44N6	56.3	614	7.7	38	2	6	13	"InChI=1S/C32H44N6/c1-23-19-29(27-15-13-25(37(3)4)21-31(27)35-23)33-17-11-9-7-8-10-12-18-34-30-20-24(2)36-32-22-26(38(5)6)14-16-28(30)32/h13-16,19-22H,7-12,17-18H2,1-6H3,(H,33,35)(H,34,36)"	CC1=CC(=C2C=CC(=CC2=N1)N(C)C)NCCCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)N(C)C	IRCZAKCZHXNLMF-UHFFFAOYSA-N
DG52313	"4, N4,N4'-1,6-hexanediylbis[N7,N7-dimethyl-"	329578	"NSC313159; CHEMBL1978178; ZINC1570581; NSC-313159; NCI60_002702; 4, N4,N4'-1,6-hexanediylbis[N7,N7-dimethyl-; 4, N(4),N(4')-1,6-hexanediylbis[N(7),N(7)-dimethyl-; 4, N(4),N(4')-1,6-octanediylbis(N(7),N(7)-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	313159	.	.	.	.	456.6	C28H36N6	56.3	533	5.8	34	2	6	11	"InChI=1S/C28H36N6/c1-33(2)21-9-11-23-25(13-17-31-27(23)19-21)29-15-7-5-6-8-16-30-26-14-18-32-28-20-22(34(3)4)10-12-24(26)28/h9-14,17-20H,5-8,15-16H2,1-4H3,(H,29,31)(H,30,32)"	CN(C)C1=CC2=NC=CC(=C2C=C1)NCCCCCCNC3=C4C=CC(=CC4=NC=C3)N(C)C	HKCSFOBYHHXGJX-UHFFFAOYSA-N
DG52314	"2,2'-[(tert-Butylazanediyl)bis(methylene)]bis(1-phenylprop-2-en-1-one)"	329639	"75030-64-7; NSC313430; CHEMBL1992852; DTXSID40317260; ZINC31768621; NSC-313430; NCI60_002706; 2,2'-[(tert-Butylazanediyl)bis(methylene)]bis(1-phenylprop-2-en-1-one)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	313430	.	.	.	.	361.5	C24H27NO2	37.4	513	4.8	27	0	3	9	"InChI=1S/C24H27NO2/c1-18(22(26)20-12-8-6-9-13-20)16-25(24(3,4)5)17-19(2)23(27)21-14-10-7-11-15-21/h6-15H,1-2,16-17H2,3-5H3"	CC(C)(C)N(CC(=C)C(=O)C1=CC=CC=C1)CC(=C)C(=O)C2=CC=CC=C2	ZNBGMAWFRAVLSE-UHFFFAOYSA-N
DG52315	"2,3-Dimethoxy-6-methyl-5H-(1,3)dioxolo(4',5':5,6)indeno(1,2-c)isoquinoline-5,12(6H)-dione"	329826	"66358-49-4; NSC 314622; UNII-Q1G3FJ6TLS; NSC314622; Q1G3FJ6TLS; NSC-314622; MLS002701805; 2,3-Dimethoxy-6-methyl-5H-(1,3)dioxolo(4',5':5,6)indeno(1,2-c)isoquinoline-5,12(6H)-dione; 2,3-Dimethoxy-6-methyl-5H-[1,3]dioxolo[4',5':5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione; NSC-341622; NCIMech_000446; CHEMBL79513; SCHEMBL14147251; DTXSID40216582; ZINC1570831; CCG-35623; NCI60_002710; SMR001565399; 5H-[1,6]indeno[1,2-c]isoquinoline-5,12-dione, 2,3-dimethoxy-6-methyl-; {5H-[1,3]Dioxolo[5,6]indeno[1,2-c]isoquinoline-5,12-dione,} 2, 3-dimethoxy-6-methyl-; 5,6-dihydro-5,11-diketo-2,3-dimethoxy-6-methyl-8,9-methylenedioxy-11H-indeno(1,2-c)isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	314622	.	.	.	.	365.3	C20H15NO6	74.3	705	2.1	27	0	6	2	"InChI=1S/C20H15NO6/c1-21-18-10-5-15-16(27-8-26-15)6-11(10)19(22)17(18)9-4-13(24-2)14(25-3)7-12(9)20(21)23/h4-7H,8H2,1-3H3"	CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5	LWLNFIXOPOZENE-UHFFFAOYSA-N
DG52316	"2(1H)-Pyrimidinone, 1-(2,5-dihydro-5-oxo-2-furanyl)-5-fluoro-4-methoxy-"	330094	"MLS003115929; NSC315844; CHEMBL1905937; NSC-315844; SMR001831491; 2(1H)-pyrimidinone,5-dihydro-5-oxo-2-furanyl)-5-fluoro-4-methoxy-; 2(1H)-Pyrimidinone, 1-(2,5-dihydro-5-oxo-2-furanyl)-5-fluoro-4-methoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	315844	.	.	.	.	226.16	C9H7FN2O4	68.2	441	0.3	16	0	5	2	"InChI=1S/C9H7FN2O4/c1-15-8-5(10)4-12(9(14)11-8)6-2-3-7(13)16-6/h2-4,6H,1H3"	COC1=NC(=O)N(C=C1F)C2C=CC(=O)O2	SOMYTVQCIUWOSO-UHFFFAOYSA-N
DG52317	"3-Cyclopentene-1, 5-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)-, (1S,2R,5R)-"	330164	"MLS002701806; NSC316458; CHEMBL9568; SCHEMBL863873; NSC-316458; NCI60_002719; SMR001565400; 3-Cyclopentene-1, 5-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)-, (1S,2R,5R)-; 3-Cyclopentene-1, 5-(6-amino-9H-purin-9-yl)- 3-(hydroxymethyl)-, [1S-(1.ALPHA.,2.ALPHA.,5.BETA.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	316458	.	.	.	.	263.25	C11H13N5O3	130	379	-2	19	4	7	2	"InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)"	C1=C(C(C(C1N2C=NC3=C(N=CN=C32)N)O)O)CO	XUGWUUDOWNZAGW-UHFFFAOYSA-N
DG52318	"11H-Indolo[3,2-c]quinolin-9-amine, 3-chloro-N,N-diethyl-8-methoxy-"	330267	"MLS000757007; NSC-317605; SMR000528920; 34374-22-6; 11H-Indolo[3,2-c]quinolin-9-amine, 3-chloro-N,N-diethyl-8-methoxy-; NSC317605; cid_330267; CHEMBL1312050; BDBM78885; DTXSID10317535; HMS2886E15; ZINC1571821; N-[(3-chloro-8-methoxy-11H-indolo[3,2-c]quinolin-9-yl)methyl]-N-ethylethanamine; MLS000757007-02; 1H-Indolo[3, 3-chloro-N,N-diethyl-8-methoxy-; 11H-Indolo[3, 3-chloro-N,N-diethyl-8-methoxy-; 3-Chloro-8-methoxy-9-diethylaminomethyl-11H-indolo[3,2-c]quinoline; (3-chloro-8-methoxy-11H-indolo[3,2-c]quinolin-9-yl)methyl-diethyl-amine; 3-Chloro-8-methoxy-9-[(diethylamino)methyl]-11H-indolo[3,2-c]quinoline; N-[(3-chloranyl-8-methoxy-11H-indolo[3,2-c]quinolin-9-yl)methyl]-N-ethyl-ethanamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	317605	.	.	.	.	367.9	C21H22ClN3O	41.2	474	4.8	26	1	3	5	"InChI=1S/C21H22ClN3O/c1-4-25(5-2)12-13-8-19-16(10-20(13)26-3)17-11-23-18-9-14(22)6-7-15(18)21(17)24-19/h6-11,24H,4-5,12H2,1-3H3"	CCN(CC)CC1=CC2=C(C=C1OC)C3=CN=C4C=C(C=CC4=C3N2)Cl	LLEAEDYSPVHUEP-UHFFFAOYSA-N
DG52319	Ethyl 2-(2-nitro-1-phenylethyl)sulfanylbenzoate	330275	NSC317615; NSC-317615	.	.	Investigative Drug(s)	Investigative	Small molecular drug	317615	.	.	.	.	331.4	C17H17NO4S	97.4	393	4	23	0	5	7	"InChI=1S/C17H17NO4S/c1-2-22-17(19)14-10-6-7-11-15(14)23-16(12-18(20)21)13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3"	CCOC(=O)C1=CC=CC=C1SC(C[N+](=O)[O-])C2=CC=CC=C2	ZBRQQRZXDOZYEO-UHFFFAOYSA-N
DG52320	"(1,3-Dithietan-2-ylidene)(nitro)acetonitrile"	330355	"38042-13-6; NSC318460; DTXSID70317571; ZINC1571936; NSC-318460; Acetonitrile,3-dithietan-2-ylidenenitro-; (1,3-Dithietan-2-ylidene)(nitro)acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	318460	.	.	.	.	174.2	C4H2N2O2S2	120	240	1.4	10	0	5	0	InChI=1S/C4H2N2O2S2/c5-1-3(6(7)8)4-9-2-10-4/h2H2	C1SC(=C(C#N)[N+](=O)[O-])S1	NOKRHONZSZUEHQ-UHFFFAOYSA-N
DG52321	Marasmic acid	330358	"Marasmic acid; (+)-Marmasmic acid; CHEBI:6692; NSC318506; 2212-99-9; CHEMBL1986451; DTXSID70944765; LMPR0103620002; NSC-318506; NCI60_002734; C09701; Q27107298; 3-Hydroxy-7,7-dimethyl-1-oxo-6,7,8,8a-tetrahydro-1H,3H,5aH-3a,8b-methanoindeno[4,5-c]furan-4-carbaldehyde; 3H,8b-Methano-1H-indeno[4,5-c]furan-4-carboxaldehyde, 5a,7,8,8a-tetrahydro-3-hydroxy-7,7-dimethyl-1-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	318506	.	.	.	.	262.3	C15H18O4	63.6	534	1.5	19	1	4	1	"InChI=1S/C15H18O4/c1-13(2)4-8-3-9(6-16)14-7-15(14,10(8)5-13)12(18)19-11(14)17/h3,6,8,10-11,17H,4-5,7H2,1-2H3/t8-,10+,11 ,14+,15-/m1/s1"	CC1(C[C@H]2C=C([C@]34C[C@@]3([C@H]2C1)C(=O)OC4O)C=O)C	BIUVCPLWWOLECJ-LIHVSQBMSA-N
DG52322	"2(1H)-Pyrimidinone, 5-fluoro-1-beta-D-ribofuranosyl-"	330359	"64967-16-4; NSC318509; CHEMBL112913; DTXSID60983527; NSC-318509; NCI60_002735; 5-Fluoro-1-pentofuranosylpyrimidin-2(1H)-one; 2(1H)-Pyrimidinone, 5-fluoro-1-.beta.-D-ribofuranosyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	318509	.	.	.	.	246.19	C9H11FN2O5	103	386	-1.5	17	3	6	2	"InChI=1S/C9H11FN2O5/c10-4-1-11-9(16)12(2-4)8-7(15)6(14)5(3-13)17-8/h1-2,5-8,13-15H,3H2"	C1=C(C=NC(=O)N1C2C(C(C(O2)CO)O)O)F	BISROEGZKWHITE-UHFFFAOYSA-N
DG52323	"2-(4,5-dihydro-1H-imidazol-2-ylthio)-2-(methylthio)-1,3-dithia-5,8-diazaspiro[3.4]octane"	330385	"NSC318538; MLS002701808; NSC-318538; 69754-53-6; NCIStruc1_000879; NCIStruc2_000861; CHEMBL1335862; DTXSID60317580; CCG-36762; NCGC00014718; NCI318538; ZINC22912970; NCGC00014718-02; NCGC00097819-01; NCI60_002736; SMR001565402; 2-(4,5-dihydro-1H-imidazol-2-ylthio)-2-(methylthio)-1,3-dithia-5,8-diazaspiro[3.4]octane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	318538	.	.	.	.	294.5	C8H14N4S4	150	307	1.2	16	3	7	3	"InChI=1S/C8H14N4S4/c1-13-8(14-6-9-2-3-10-6)15-7(16-8)11-4-5-12-7/h11-12H,2-5H2,1H3,(H,9,10)"	CSC1(SC2(S1)NCCN2)SC3=NCCN3	XCQBEENDHMMMRU-UHFFFAOYSA-N
DG52324	"5-Fluorouridine,2',3',5'-tri-O-acetyl"	330408	"55474-11-8; NSC318800; ChemDiv1_019526; Oprea1_543347; CBDivE_001808; MLS001075975; CHEMBL1487531; HMS642H12; DTXSID80317587; DTXSID90877804; HMS2784E10; AKOS001010765; AKOS016876596; MCULE-5593413354; NSC-318800; NCI60_002740; SMR000473058; 5-FLUOROURIDINE,2',3',5'-TRI-O-ACETYL; SR-01000401363; SR-01000401363-1; T0503-5798"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	318800	.	.	.	.	388.3	C15H17FN2O9	138	707	-0.2	27	1	10	8	"InChI=1S/C15H17FN2O9/c1-6(19)24-5-10-11(25-7(2)20)12(26-8(3)21)14(27-10)18-4-9(16)13(22)17-15(18)23/h4,10-12,14H,5H2,1-3H3,(H,17,22,23)"	CC(=O)OCC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)OC(=O)C)OC(=O)C	GWZWJYSFWAOCJZ-UHFFFAOYSA-N
DG52325	"1-(4-Chloro-7-methoxyquinolin-2-yl)-3-(2,6-dimethylphenyl)urea"	330430	"MLS003115954; NSC319023; CHEMBL2143356; ZINC640682; 1-(4-CHLORO-7-METHOXY-2-QUINOLYL)-3-(2,6-XYLYL)UREA; 1-(4-chloro-7-methoxyquinolin-2-yl)-3-(2,6-dimethylphenyl)urea; AKOS024431151; MCULE-3830237346; NSC-319023; 196875-45-3; SMR000739416"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319023	.	.	.	.	355.8	C19H18ClN3O2	63.2	454	4.4	25	2	3	3	"InChI=1S/C19H18ClN3O2/c1-11-5-4-6-12(2)18(11)23-19(24)22-17-10-15(20)14-8-7-13(25-3)9-16(14)21-17/h4-10H,1-3H3,(H2,21,22,23,24)"	CC1=C(C(=CC=C1)C)NC(=O)NC2=NC3=C(C=CC(=C3)OC)C(=C2)Cl	BPKXTUAMQCILGN-UHFFFAOYSA-N
DG52326	"6-Benzyl-5,11-dimethyl-6H-pyrido(4,3-b)carbazole-1-carbonitrile"	330469	"85619-11-0; OEG3LD2WZG; UNII-OEG3LD2WZG; NSC319073; 6-Benzyl-5,11-dimethyl-6H-pyrido(4,3-b)carbazole-1-carbonitrile; 6-Benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazole-1-carbonitrile; NSC 319073; 6-Benzyl-1-cyanoellipticine; CHEMBL1981095; DTXSID50234858; NSC-319073; NCI60_002745; 6-benzyl-5,11-dimethyl-pyrido[4,3-b]carbazole-1-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319073	.	.	.	.	361.4	C25H19N3	41.6	602	5.9	28	0	2	2	"InChI=1S/C25H19N3/c1-16-19-12-13-27-21(14-26)23(19)17(2)24-20-10-6-7-11-22(20)28(25(16)24)15-18-8-4-3-5-9-18/h3-13H,15H2,1-2H3"	CC1=C2C=CN=C(C2=C(C3=C1N(C4=CC=CC=C43)CC5=CC=CC=C5)C)C#N	ZIJDDIPODSODGY-UHFFFAOYSA-N
DG52327	"2-[2-Hydroxyethyl-[3-[(6,7,8-triethoxyquinazolin-4-yl)amino]propyl]amino]ethanol"	330472	"33386-39-9; NSC319078; CHEMBL1988208; DTXSID40317604; ZINC5648436; NSC-319078; 2-[2-hydroxyethyl-[3-[(6,7,8-triethoxyquinazolin-4-yl)amino]propyl]amino]ethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319078	.	.	.	.	422.5	C21H34N4O5	109	442	1.9	30	3	9	15	"InChI=1S/C21H34N4O5/c1-4-28-17-14-16-18(20(30-6-3)19(17)29-5-2)23-15-24-21(16)22-8-7-9-25(10-12-26)11-13-27/h14-15,26-27H,4-13H2,1-3H3,(H,22,23,24)"	CCOC1=C(C(=C2C(=C1)C(=NC=N2)NCCCN(CCO)CCO)OCC)OCC	MMZXVKQSUKESED-UHFFFAOYSA-N
DG52328	"4-Chloro-6,7,8-triethoxyquinazoline"	330473	MLS000757001; NSC319079; CHEMBL1330680; HMS2884H11; ZINC1572056; NSC-319079; SMR000528923	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319079	.	.	.	.	296.75	C14H17ClN2O3	53.5	296	3.5	20	0	5	6	"InChI=1S/C14H17ClN2O3/c1-4-18-10-7-9-11(16-8-17-14(9)15)13(20-6-3)12(10)19-5-2/h7-8H,4-6H2,1-3H3"	CCOC1=C(C(=C2C(=C1)C(=NC=N2)Cl)OCC)OCC	YJGWAHWRTHRYHP-UHFFFAOYSA-N
DG52329	10-[(4-Methoxyphenyl)methylsulfanyl]-8-oxo-11-thia-7-azaspiro[5.5]undec-9-ene-9-carbonitrile	330499	NSC319434; MLS003115971; NSC-319434; Maybridge4_000689; NCIStruc1_001805; NCIStruc2_001469; Oprea1_349450; CHEMBL1608779; HMS1522P07; ZINC1045524; CCG-37402; CCG-45267; NCGC00014722; NCI319434; MCULE-2900104924; 10-[(4-methoxyphenyl)methylsulfanyl]-8-oxo-11-thia-7-azaspiro[5.5]undec-9-ene-9-carbonitrile; IDI1_031271; NCGC00014722-02; NCGC00014722-03; NCGC00097823-01; NCGC00097823-02; NCI60_002748; SMR001831531; SR-01000635047-1; 2-((4-methoxybenzyl)thio)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile; 2-(4-Methoxy-benzylsulfanyl)-4-oxo-1-thia-5-aza-spiro[5.5]undec-2-ene-3-carbonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319434	.	.	.	.	360.5	C18H20N2O2S2	113	553	3.9	24	1	5	4	"InChI=1S/C18H20N2O2S2/c1-22-14-7-5-13(6-8-14)12-23-17-15(11-19)16(21)20-18(24-17)9-3-2-4-10-18/h5-8H,2-4,9-10,12H2,1H3,(H,20,21)"	COC1=CC=C(C=C1)CSC2=C(C(=O)NC3(S2)CCCCC3)C#N	SWHYBQCQUXPGBH-UHFFFAOYSA-N
DG52330	"4-(7-Methyl-4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)benzoic acid"	330505	"NSC319440; NSC-319440; Maybridge3_000858; Oprea1_448592; CHEMBL1968478; HMS1433G22; 4-(7-methyl-4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)benzoic acid; CCG-243603; MCULE-1889194825; IDI1_012245; NCI60_002749"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319440	.	.	.	.	304.3	C19H16N2O2	54.3	447	3.5	23	2	3	2	"InChI=1S/C19H16N2O2/c1-12-4-9-16-15(11-12)20-18(17-3-2-10-21(16)17)13-5-7-14(8-6-13)19(22)23/h2-11,18,20H,1H3,(H,22,23)"	CC1=CC2=C(C=C1)N3C=CC=C3C(N2)C4=CC=C(C=C4)C(=O)O	LYIUGKBSPWTUGL-UHFFFAOYSA-N
DG52331	2-[(2-Aminophenyl)sulfanylmethyl]-3-methoxy-xanthen-9-one	330512	NSC319447; NSC-319447; 2-(((2-aminophenyl)thio)methyl)-3-methoxy-9H-xanthen-9-one; 2-{[(2-Aminophenyl)thio]methyl}-3-methoxy-9H-xanthen-9-one; NCIStruc1_001885; CHEMBL1995662; ZINC3954566; NCGC00014725; NCGC00014725-02; NCGC00097826-01; NCI60_002751; 2-[(2-aminophenyl)sulfanylmethyl]-3-methoxy-xanthen-9-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319447	.	.	.	.	363.4	C21H17NO3S	86.8	502	4.3	26	1	5	4	"InChI=1S/C21H17NO3S/c1-24-18-11-19-15(21(23)14-6-2-4-8-17(14)25-19)10-13(18)12-26-20-9-5-3-7-16(20)22/h2-11H,12,22H2,1H3"	COC1=CC2=C(C=C1CSC3=CC=CC=C3N)C(=O)C4=CC=CC=C4O2	VMGAYMORJUGJIC-UHFFFAOYSA-N
DG52332	"6-Chloro-4-methyl-2-oxo-2H-chromen-7-yl N,N-dimethylcarbamate"	330531	"6-Chloro-4-methyl-2-oxo-2H-chromen-7-yl N,N-dimethylcarbamate; NSC319467; Maybridge3_004599; Oprea1_078288; CHEMBL1965803; ZINC72907; CCG-592; HMS1444B01; MCULE-7467063126; NSC-319467; IDI1_015986; NCI60_002753; SR-01000639139-1; 6-Chloro-4-methyl-2-oxo-2H-chromen-7-yl dimethylcarbamate #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319467	.	.	.	.	281.69	C13H12ClNO4	55.8	421	2.2	19	0	4	2	"InChI=1S/C13H12ClNO4/c1-7-4-12(16)18-10-6-11(9(14)5-8(7)10)19-13(17)15(2)3/h4-6H,1-3H3"	CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)N(C)C	JDSSHYLDLJBBRE-UHFFFAOYSA-N
DG52333	3-(5-Methyl-4-nitroso-1H-pyrazol-3-yl)isoxazole	330583	NSC319662; CHEMBL2001373; ZINC5386669; NSC-319662; 3-(5-Methyl-4-nitroso-1H-pyrazol-3-yl)isoxazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319662	.	.	.	.	178.15	C7H6N4O2	84.1	201	0.1	13	1	5	1	"InChI=1S/C7H6N4O2/c1-4-6(10-12)7(9-8-4)5-2-3-13-11-5/h2-3H,1H3,(H,8,9)"	CC1=C(C(=NN1)C2=NOC=C2)N=O	ZFRMBJNWECXXLQ-UHFFFAOYSA-N
DG52334	"2-[(2,3-Dihydroxyphenyl)-(4,4-dimethyl-2,6-dioxo-cyclohexyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione"	330812	"NSC320209; NSC-320209; NCIStruc1_001727; NCIStruc2_001587; Oprea1_199022; CHEMBL1526358; ZINC8716829; CCG-37404; NCGC00014730; NCI320209; NCGC00014730-02; NCGC00097831-01; NCI60_002765; 2-[(2,3-dihydroxyphenyl)-(4,4-dimethyl-2,6-dioxo-cyclohexyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	320209	.	.	.	.	400.5	C23H28O6	109	633	2.5	29	2	6	3	"InChI=1S/C23H28O6/c1-22(2)8-14(25)19(15(26)9-22)18(12-6-5-7-13(24)21(12)29)20-16(27)10-23(3,4)11-17(20)28/h5-7,18-20,24,29H,8-11H2,1-4H3"	CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=C(C(=CC=C3)O)O)C	MQECCVSOXCCXSI-UHFFFAOYSA-N
DG52335	1-(9-Ethylcarbazol-3-yl)-3-(2-methyl-4-nitrophenyl)urea	330820	MLS000758452; NSC320218; CHEMBL1491479; HMS2885B10; ZINC5390471; NSC-320218; SMR000528930	.	.	Investigative Drug(s)	Investigative	Small molecular drug	320218	.	.	.	.	388.4	C22H20N4O3	91.9	609	4.4	29	2	3	3	"InChI=1S/C22H20N4O3/c1-3-25-20-7-5-4-6-17(20)18-13-15(8-11-21(18)25)23-22(27)24-19-10-9-16(26(28)29)12-14(19)2/h4-13H,3H2,1-2H3,(H2,23,24,27)"	CCN1C2=C(C=C(C=C2)NC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C)C4=CC=CC=C41	BRZZHGSWUIVSIU-UHFFFAOYSA-N
DG52336	Colchicine deriv	330851	"UNII-56PC0J2FKW; 76129-16-3; NSC320301; 56PC0J2FKW; COLCHICINE DERIV; IDN-5005; MLS002703053; IDN 5005; NSC 320301; BRN 5318221; N-(Trifluoroacetyl)deacetylthiocolchicine; CHEMBL280392; DTXSID60997482; ZINC3961393; NSC-320301; 2,2,2-trifluoro-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide; Acetamide, N-(5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(a)heptalen-7-yl)-2,2,2-trifluoro-, (S)-; NCI60_002767; 17,17-TRIFLUORO-10-THIOCOLCHICINE; Q27261418; 10-Demethoxy-10-(methylthio)-17,17,17-trifluorocolchicine; 2,2,2-Trifluoro-N-[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]ethanimidic acid; Acetamide, 2,2,2-trifluoro-N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-; Acetamide,2,2,2-trifluoro-N-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-,(S)-; Acetamide,2,2-trifluoro-N-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	320301	.	.	.	.	469.5	C22H22F3NO5S	99.2	838	2.9	32	1	9	5	"InChI=1S/C22H22F3NO5S/c1-29-16-9-11-5-7-14(26-21(28)22(23,24)25)13-10-15(27)17(32-4)8-6-12(13)18(11)20(31-3)19(16)30-2/h6,8-10,14H,5,7H2,1-4H3,(H,26,28)/t14-/m0/s1"	COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC(=O)C(F)(F)F)OC)OC	LNELBQZKXVASLW-AWEZNQCLSA-N
DG52337	(1-Aminocyclohexyl)phosphonic acid	330854	"(1-aminocyclohexyl)phosphonic acid; 67398-11-2; 1-aminocyclohexylphosphonic acid; NSC320308; NSC-320308; NCIStruc1_000256; NCIStruc2_000306; SCHEMBL5918886; CHEMBL1374143; DTXSID60986674; ZINC1572442; CCG-37912; NCGC00014732; NCI320308; AKOS015892981; NCGC00014732-02; NCGC00097833-01; NCI60_002768; DB-017880; Phosphonic acid,(1-aminocyclohexyl)-(9ci); FT-0641123"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	320308	.	.	.	.	179.15	C6H14NO3P	83.6	182	-3.1	11	3	4	1	"InChI=1S/C6H14NO3P/c7-6(11(8,9)10)4-2-1-3-5-6/h1-5,7H2,(H2,8,9,10)"	C1CCC(CC1)(N)P(=O)(O)O	VMSRCTIIPRWCGJ-UHFFFAOYSA-N
DG52338	"6-Benzyl-5,11-dimethyl-6H-pyrido(4,3-b)carbazole-1-carboxamide"	330922	"85619-29-0; NSC320613; UNII-3VL8VB55X4; 3VL8VB55X4; 6-Benzyl-5,11-dimethyl-6H-pyrido(4,3-b)carbazole-1-carboxamide; 6-Benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazole-1-carboxamide; NSC 320613; CHEMBL1969018; DTXSID10234859; ZINC1572502; NSC-320613; NCI60_002772; 6-benzyl-5,11-dimethyl-pyrido[4,3-b]carbazole-1-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	320613	.	.	.	.	379.5	C25H21N3O	60.9	603	5.1	29	1	2	3	"InChI=1S/C25H21N3O/c1-15-18-12-13-27-23(25(26)29)21(18)16(2)22-19-10-6-7-11-20(19)28(24(15)22)14-17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H2,26,29)"	CC1=C2C=CN=C(C2=C(C3=C1N(C4=CC=CC=C43)CC5=CC=CC=C5)C)C(=O)N	VODKCENRSZZLTO-UHFFFAOYSA-N
DG52339	Bishelenalinyl malonate	330973	"Bis(helenalinyl) malonate; MLS000728515; SMR000445629; BISHELENALINYL MALONATE; cid_330973; CHEMBL1566610; BDBM54827; HMS2218L22; NSC320951; NSC-320951; NCGC00247555-01; bis[(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] propanedioate; NCI60_002781; bis[(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-bis(oxidanylidene)-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] propanedioate; malonic acid bis[(3aR,5R,5aR,8aR,9S,9aR)-2,8-diketo-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] ester; propanedioic acid bis[(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	320951	.	.	.	.	592.6	C33H36O10	139	1330	3.9	43	0	10	6	"InChI=1S/C33H36O10/c1-14-11-20-26(16(3)30(38)40-20)28(32(5)18(14)7-9-22(32)34)42-24(36)13-25(37)43-29-27-17(4)31(39)41-21(27)12-15(2)19-8-10-23(35)33(19,29)6/h7-10,14-15,18-21,26-29H,3-4,11-13H2,1-2,5-6H3/t14-,15-,18+,19+,20-,21-,26-,27-,28+,29+,32+,33+/m1/s1"	C[C@@H]1C[C@@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)CC(=O)O[C@H]4[C@H]5[C@@H](C[C@H]([C@H]6[C@]4(C(=O)C=C6)C)C)OC(=O)C5=C)C(=C)C(=O)O2	YTQIEACOYYTJSM-SGTGAOPFSA-N
DG52340	Zexbrevin	331148	ZEXBREVIN; NSC321477; 28644-86-2; CHEMBL1988590; DTXSID90317876; NSC-321477; NCI60_002783	.	.	Investigative Drug(s)	Investigative	Small molecular drug	321477	.	.	.	.	346.4	C19H22O6	78.9	717	2.7	25	0	6	3	"InChI=1S/C19H22O6/c1-9(2)17(21)24-14-8-19(5)15(20)7-12(25-19)10(3)6-13-16(14)11(4)18(22)23-13/h7,10,13-14,16H,1,4,6,8H2,2-3,5H3"	CC1CC2C(C(CC3(C(=O)C=C1O3)C)OC(=O)C(=C)C)C(=C)C(=O)O2	KYTKEOOPALLADL-UHFFFAOYSA-N
DG52341	"4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrrolo[1,2-a]quinoxaline"	331156	"NSC321491; MLS000758458; CHEMBL1406170; HMS2886D07; ZINC1323776; NSC-321491; 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrrolo[1,2-a]quinoxaline; SMR000528931; (6-Chloro-4H-1,3-benzodioxin-8-yl)methyl pyrrolo[1,2-a]quinoxalin-4-yl sulfide; 4-(((6-Chloro-4H-1,3-benzodioxin-8-yl)methyl)thio)pyrrolo[1,2-a]quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	321491	.	.	.	.	382.9	C20H15ClN2O2S	61.1	498	5.3	26	0	4	3	"InChI=1S/C20H15ClN2O2S/c21-15-8-13-10-24-12-25-19(13)14(9-15)11-26-20-18-6-3-7-23(18)17-5-2-1-4-16(17)22-20/h1-9H,10-12H2"	C1C2=C(C(=CC(=C2)Cl)CSC3=NC4=CC=CC=C4N5C3=CC=C5)OCO1	GFEARZNFPWFVSH-UHFFFAOYSA-N
DG52342	N-(4-cyano-3-methyl-5-isoxazolyl)-N'-(2-fluorophenyl)urea	331212	NSC321785; NSC-321785; NCIStruc1_000863; NCIStruc2_000747; CHEMBL1447428; ZINC1572811; CCG-36827; NCGC00014748; NCI321785; NCGC00014748-02; NCGC00097849-01; NCI60_002791; N-(4-cyano-3-methyl-5-isoxazolyl)-N'-(2-fluorophenyl)urea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	321785	.	.	.	.	260.22	C12H9FN4O2	91	383	2	19	2	5	2	"InChI=1S/C12H9FN4O2/c1-7-8(6-14)11(19-17-7)16-12(18)15-10-5-3-2-4-9(10)13/h2-5H,1H3,(H2,15,16,18)"	CC1=NOC(=C1C#N)NC(=O)NC2=CC=CC=C2F	XKXNHDFGHFCRBG-UHFFFAOYSA-N
DG52343	Coaracine (racemic)	331290	Coaracine (racemic); NSC323229; CHEMBL29319; NSC322099; NSC323230; NSC-322099; NSC-323229; NSC-323230; NCI60_002803; NCI60_002804	.	.	Investigative Drug(s)	Investigative	Small molecular drug	323229	.	.	.	.	262.26	C10H18N2O6	123	315	-2.4	18	5	6	2	"InChI=1S/C10H18N2O6/c13-4-6-7(15)8(16)9(18-6)12-2-1-5(14)3-11-10(12)17/h5-9,13-16H,1-4H2,(H,11,17)"	C1CN(C(=O)NCC1O)C2C(C(C(O2)CO)O)O	QHDXLNWQRHMXSE-UHFFFAOYSA-N
DG52344	"2,3,5,8-Tetrahydroxy-2-methyl-1,2,3,4-tetrahydro-9,10-anthracenedione"	331314	"NSC322355; 69286-17-5; 2,3,5,8-Tetrahydroxy-2-methyl-1,2,3,4-tetrahydro-9,10-anthracenedione; NSC 322355; CHEMBL1981077; DTXSID70989010; NSC-322355; NCI60_002798; 9, 1,2,3,4-tetrahydro- 2,3,5,8-tetrahydroxy-2-methyl-, cis-; 2,3,5,8-Tetrahydroxy-2-methyl-1,2,3,4-tetrahydroanthracene-9,10-dione; 2,3,5,8-tetrahydroxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	322355	.	.	.	.	290.27	C15H14O6	115	514	1.1	21	4	6	0	"InChI=1S/C15H14O6/c1-15(21)5-7-6(4-10(15)18)13(19)11-8(16)2-3-9(17)12(11)14(7)20/h2-3,10,18-21H,4-5H2,1H3"	CC1(CC2=C(CC1O)C(=C3C(=O)C=CC(=O)C3=C2O)O)O	PPLKCVVBJTYAFT-UHFFFAOYSA-N
DG52345	NSC323721	331402	"[5-[(2,2-dichloroacetyl)amino]-2,4-bis[(E)-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]azo]-1-naphthyl] 2,2-dichloroacetate; 9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; NSC323721; CHEMBL1965001; NSC-323721; NCI60_002807; [5-[(2,2-dichloroacetyl)amino]-2,4-bis[(E)-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]azo]-1-naphthyl] 2,2-dichloroacetate; 9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	323721	.	.	.	.	1352.1	C60H60Cl4FN11O12S2	360	2600	.	90	6	23	17	"InChI=1S/C38H31Cl4N11O7S2.C22H29FO5/c1-19-16-31(45-21(3)43-19)52-61(56,57)25-12-8-23(9-13-25)48-50-29-18-30(34(60-38(55)36(41)42)27-6-5-7-28(33(27)29)47-37(54)35(39)40)51-49-24-10-14-26(15-11-24)62(58,59)53-32-17-20(2)44-22(4)46-32;1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h5-18,35-36H,1-4H3,(H,47,54)(H,43,45,52)(H,44,46,53);6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3"	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C.CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C4=C3C(=CC=C4)NC(=O)C(Cl)Cl)OC(=O)C(Cl)Cl)N=NC5=CC=C(C=C5)S(=O)(=O)NC6=NC(=NC(=C6)C)C	LQOMYOJYLKGJCF-UHFFFAOYSA-N
DG52346	NSC323722	331404	"[5-[(2,2-dichloroacetyl)amino]-2,4-bis[(E)-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]azo]-1-naphthyl] 2,2-dichloroacetate; 9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; NSC323722; CHEMBL1990643; NSC-323722; NCI60_002808; [5-[(2,2-dichloroacetyl)amino]-2,4-bis[(E)-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]azo]-1-naphthyl] 2,2-dichloroacetate; 9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; Acetic acid, dichloro-, 5-[(2,2-dichloroacetyl)amino]-2,4-bis[(E)-[4-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]sulfonyl]phenyl]azo]-1-naphthalenyl ester, compd. with 9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	323722	.	.	.	.	1336.1	C54H52Cl4FN11O12S4	417	2500	.	86	6	25	17	"InChI=1S/C32H23Cl4N11O7S4.C22H29FO5/c1-15-38-44-31(55-15)46-57(50,51)19-10-6-17(7-11-19)40-42-23-14-24(43-41-18-8-12-20(13-9-18)58(52,53)47-32-45-39-16(2)56-32)26(54-30(49)28(35)36)21-4-3-5-22(25(21)23)37-29(48)27(33)34;1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h3-14,27-28H,1-2H3,(H,37,48)(H,44,46)(H,45,47);6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3"	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C.CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C4=C3C(=CC=C4)NC(=O)C(Cl)Cl)OC(=O)C(Cl)Cl)N=NC5=CC=C(C=C5)S(=O)(=O)NC6=NN=C(S6)C	ODDSNXMAAJTFSD-UHFFFAOYSA-N
DG52347	"4-(3,4-Dichlorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile (2)"	331439	"NSC323918; CHEMBL1969935; BDBM123836; NSC-323918; 4-(3,4-dichlorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile (2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	323918	.	.	.	.	308.12	C13H7Cl2N3O2	93.8	498	1.9	20	1	4	1	"InChI=1S/C13H7Cl2N3O2/c14-9-2-1-6(3-10(9)15)11-7(4-16)12(19)18-13(20)8(11)5-17/h1-3,7-8,11H,(H,18,19,20)"	C1=CC(=C(C=C1C2C(C(=O)NC(=O)C2C#N)C#N)Cl)Cl	FKRWRZZGZMUCSG-UHFFFAOYSA-N
DG52348	Acnistin E	331499	"Acnistin E; NSC324043; Acnistin-E; 76994-39-3; CHEMBL2373915; DTXSID80998279; NSC-324043; NCI60_002812; 4,17-Dihydroxy-17-(4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl)-5,6-epoxyandrost-2-en-1-one; Androst-2-en-1-one,6-epoxy-4,17-dihydroxy-17-(4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-7-yl)-, [4.beta.,5.beta.,6.beta.,17.beta.,17(1R,4R,5R,7S)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	324043	.	.	.	.	486.6	C28H38O7	117	1070	2	35	3	7	1	"InChI=1S/C28H38O7/c1-23-12-17(18(13-23)34-22(31)26(23,4)32)27(33)10-8-15-14-11-21-28(35-21)20(30)6-5-19(29)25(28,3)16(14)7-9-24(15,27)2/h5-6,14-18,20-21,30,32-33H,7-13H2,1-4H3/t14-,15-,16-,17-,18 ,20-,21+,23 ,24-,25-,26-,27+,28+/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2([C@H]4CC5(CC4OC(=O)[C@]5(C)O)C)O)C[C@@H]6[C@]7([C@@]3(C(=O)C=C[C@@H]7O)C)O6	FKQUQCYOBZEPTK-SXUGLQBDSA-N
DG52349	N-pyren-1-ylbenzenesulfonamide	331581	NSC325268; CHEMBL1976758; ZINC1573337; NSC-325268	.	.	Investigative Drug(s)	Investigative	Small molecular drug	325268	.	.	.	.	357.4	C22H15NO2S	54.6	606	5.6	26	1	3	3	"InChI=1S/C22H15NO2S/c24-26(25,18-7-2-1-3-8-18)23-20-14-12-17-10-9-15-5-4-6-16-11-13-19(20)22(17)21(15)16/h1-14,23H"	C1=CC=C(C=C1)S(=O)(=O)NC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2	HYVGZKMKDJGPNL-UHFFFAOYSA-N
DG52350	"5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine"	331715	"NSC326182; MLS000758472; 5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine; NSC-326182; 67829-24-7; NCIStruc1_001809; NCIStruc2_001591; CHEMBL1496125; DTXSID00318112; CHEBI:107835; HMS2886M24; ZINC1573467; CCG-37086; NCGC00014753; NCI326182; NCGC00014753-02; NCGC00097854-01; NCI60_002824; SMR000528936; DS-008804; Q27186171; 5-(Benzo[d][1,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	326182	.	.	.	.	309.32	C17H15N3O3	69.4	411	3.8	23	1	6	3	"InChI=1S/C17H15N3O3/c1-10-3-5-13(11(2)7-10)18-17-20-19-16(23-17)12-4-6-14-15(8-12)22-9-21-14/h3-8H,9H2,1-2H3,(H,18,20)"	CC1=CC(=C(C=C1)NC2=NN=C(O2)C3=CC4=C(C=C3)OCO4)C	SWIUQBFXLZSMJW-UHFFFAOYSA-N
DG52351	Isoepoxydon	331736	"Isoepoxydon; Epiepoxydon; NSC326233; 67772-76-3; (+)-epiepoxydon; (+)-isoepoxydon; (+)-Epiepoxydone; EPOXYDON, EPI-; CHEMBL443078; SCHEMBL13612145; VTLJDPHPVHSVGR-JHYUDYDFSA-; CHEBI:145109; ISOMER OF EPOXYDON 93049; NSC-326233; NCI60_002828; (4R,5S,6S)-5,6-epoxy-4-hydroxy-2-hydroxymethylcyclohex-2-en-1-one; (4S,5R,6R)-5,6-epoxy-4-hydroxy-2-hydroxymethylcyclohex-2-en-1-one; (1R,5S,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	326233	.	.	.	.	156.14	C7H8O4	70.1	233	-1.1	11	2	4	1	"InChI=1S/C7H8O4/c8-2-3-1-4(9)6-7(11-6)5(3)10/h1,4,6-9H,2H2/t4-,6+,7-/m0/s1"	C1=C(C(=O)[C@H]2[C@@H]([C@H]1O)O2)CO	VTLJDPHPVHSVGR-JHYUDYDFSA-N
DG52352	"3-(3-(2-(1H-pyrrol-1-yl)phenyl)-1,2,4-oxadiazol-5-yl)propanoic acid"	331761	"NSC326374; NSC-326374; NCIStruc1_000823; NCIStruc2_000945; CHEMBL1335436; ZINC1573513; CCG-36829; NCGC00014756; NCI326374; NCGC00014756-02; NCGC00097857-01; NCI60_002829; 3-(3-(2-(1H-pyrrol-1-yl)phenyl)-1,2,4-oxadiazol-5-yl)propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	326374	.	.	.	.	283.28	C15H13N3O3	81.2	360	2	21	1	5	5	"InChI=1S/C15H13N3O3/c19-14(20)8-7-13-16-15(17-21-13)11-5-1-2-6-12(11)18-9-3-4-10-18/h1-6,9-10H,7-8H2,(H,19,20)"	C1=CC=C(C(=C1)C2=NOC(=N2)CCC(=O)O)N3C=CC=C3	JVCZPUTWXTXJRK-UHFFFAOYSA-N
DG52353	Rocaglamide	331783	"Rocaglamide; 84573-16-0; C29H31NO7; MLS002701812; CHEMBL438139; CHEBI:66309; NSC326408; Roc-A; NSC 326408; (-)-(1alpha,2alpha,3beta,3abeta,8bbeta)-2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-1H-cyclopenta(b)benzofuran-2-carboxamide; (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-2-carboxamide; (1R,2R,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-1,8b-bis(oxidanyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide; UNII-FRG4N852F7; FRG4N852F7; (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide; ROCAGLAMIDE (FR AGLAIA ELLIPTIFOLIA); Rocaglamide; Rocaglamide A; SCHEMBL752144; DTXSID101004852; 1H-Cyclopenta[b]benzofuran-2-carboxamide, 2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-, (1R,2R,3S,3aR,8bS)-; EX-A3220; ZINC5664046; BDBM50196926; s7428; AT25539; CS-5246; DB15495; NSC-326408; AS-79589; HY-19356; NCI60_002832; SMR001565405; W1065; B603847K064; Q3437403; BRD-K97248244-001-01-8; BRD-K97248244-001-02-6; (1R,2R,3S,3aR,8bS)-2,3,3a,8b-Tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-1H-cyclopenta[b]benzofuran-2-carboxamide; 1,8b-Dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-2-carboxamide; 117894-34-5; 1H-Cyclopenta[b]benzofuran-2-carboxamide,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy- 3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-, [1R-(1.alpha.,2.alpha.,3.beta.,3a.beta.,8b.beta.)]-; 1H-Cyclopenta[b]benzofuran-2-carboxamide,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy- 3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-,(1R,2R,3S,3aR,8bS)-; RCG"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	326408	.	.	.	.	505.6	C29H31NO7	97.7	810	2.8	37	2	7	6	"InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1"	CN(C)C(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5	DAPAQENNNINUPW-IDAMAFBJSA-N
DG52354	[4-(4-Hydroxy-benzoyl)-phenyl]-(4-hydroxy-phenyl)-methanone	331833	"15517-46-1; [4-(4-Hydroxy-benzoyl)-phenyl]-(4-hydroxy-phenyl)-methanone; MLS000758486; [4-(4-hydroxybenzoyl)phenyl]-(4-hydroxyphenyl)methanone; MLS000523326; 1,4-phenylenebis((4-hydroxyphenyl)methanone); NSC-326757; SMR000123304; 1,4-bis(4-hydroxybenzoyl)-benzene; NSC326757; Oprea1_508083; Oprea1_534834; SCHEMBL699850; 4,4'-(Terephthaloyl)bisphenol; cid_331833; CHEMBL1368535; BDBM57056; DTXSID60318158; 1,4-bis(4-hydroxybenzoyl)benzene; HMS2427P18; ZINC332365; AKOS000746577; DS-000288; Methanone,1,1-(1,4-phenylene)bis[1-(4-hydroxyphenyl)-; (4-hydroxyphenyl)-[4-(4-hydroxyphenyl)carbonylphenyl]methanone; (4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-oxomethyl]phenyl]methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	326757	.	.	.	.	318.3	C20H14O4	74.6	395	3.9	24	2	4	4	"InChI=1S/C20H14O4/c21-17-9-5-15(6-10-17)19(23)13-1-2-14(4-3-13)20(24)16-7-11-18(22)12-8-16/h1-12,21-22H"	C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)O)C(=O)C3=CC=C(C=C3)O	ADUODNZKKNUWBZ-UHFFFAOYSA-N
DG52355	"3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine"	332058	"NSC327702; MLS000758488; NSC-327702; 59851-31-9; NCIStruc1_001681; NCIStruc2_001424; Oprea1_278914; 3-benzylsulfanylphenanthro[9,10-e][1,2,4]triazine; CHEMBL1358395; SCHEMBL20211617; DTXSID00318238; ZINC1573829; CCG-36965; NCGC00014759; NCI327702; NCGC00014759-02; NCGC00097860-01; NCI60_002844; SMR000528941; benzyl phenanthro[9,10-e][1,2,4]triazin-3-yl sulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	327702	.	.	.	.	353.4	C22H15N3S	64	466	4.6	26	0	4	3	"InChI=1S/C22H15N3S/c1-2-8-15(9-3-1)14-26-22-23-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21(20)24-25-22/h1-13H,14H2"	C1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4C5=CC=CC=C53)N=N2	VNLBCJYVPMIDDO-UHFFFAOYSA-N
DG52356	"2-Chloro-3-(phenanthro[9,10-e][1,2,4]triazin-3-ylthio)naphthoquinone"	332061	"NSC327705; NSC-327705; NCIStruc1_001899; NCIStruc2_001760; SCHEMBL8738969; CHEMBL1317986; ZINC1573832; CCG-37780; NCGC00014761; NCI327705; NCGC00014761-02; NCGC00097862-01; NCI60_002846; 2-chloro-3-(phenanthro[9,10-e][1,2,4]triazin-3-ylthio)naphthoquinone; 2-chloro-3-(phenanthro[9,2,4]triazin 3-ylthio)naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	327705	.	.	.	.	453.9	C25H12ClN3O2S	98.1	819	6.1	32	0	6	2	InChI=1S/C25H12ClN3O2S/c26-19-22(30)17-11-5-6-12-18(17)23(31)24(19)32-25-27-20-15-9-3-1-7-13(15)14-8-2-4-10-16(14)21(20)28-29-25/h1-12H	C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C(N=N4)SC5=C(C(=O)C6=CC=CC=C6C5=O)Cl	LTXPJUHAUKZMOA-UHFFFAOYSA-N
DG52357	3'-Chloro-2-hydroxy-2'-methyl-3-nitrobenzanilide	332278	"NSC328477; 73544-88-4; NCIMech_000459; 3'-Chloro-2-hydroxy-2'-methyl-3-nitrobenzanilide; SCHEMBL7161319; CHEMBL1984810; DTXSID60994315; Benzamide, N-(3-chloro-2-methylphenyl)-2-hydroxy-3-nitro-; ZINC1574109; CCG-35594; 3'-Chloro-3-nitro-o-salicylotoluidide; NSC 328477; NSC-328477; NCI60_002857; 2'-Methyl-3'-chloro-2-hydroxy-3-nitrobenzanilide; N-(3-Chloro-2-methylphenyl)-2-hydroxy-3-nitrobenzene-1-carboximidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328477	.	.	.	.	306.7	C14H11ClN2O4	95.2	401	3.8	21	2	4	2	"InChI=1S/C14H11ClN2O4/c1-8-10(15)5-3-6-11(8)16-14(19)9-4-2-7-12(13(9)18)17(20)21/h2-7,18H,1H3,(H,16,19)"	CC1=C(C=CC=C1Cl)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O	AHMRPRVEPUCPGA-UHFFFAOYSA-N
DG52358	"2-Nitrofuro[3,2-e][1]benzofuran"	332389	MLS003170757; 69267-54-5; NSC329125; CHEMBL2360144; DTXSID70318346; ZINC1574574; NSC-329125; SMR001874675	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329125	.	.	.	.	203.15	C10H5NO4	72.1	277	2.9	15	0	4	0	InChI=1S/C10H5NO4/c12-11(13)10-5-7-6-3-4-14-8(6)1-2-9(7)15-10/h1-5H	C1=CC2=C(C=C(O2)[N+](=O)[O-])C3=C1OC=C3	CIZQUNGDZXJWAU-UHFFFAOYSA-N
DG52359	"2,4-Dinitro-1-benzofuran"	332391	"69227-68-5; 2,4-dinitro-benzofuran; 2,4-dinitro-1-benzofuran; NSC329127; CHEMBL1987400; DTXSID90318348; ZINC5665041; NSC-329127; NCI60_002870"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329127	.	.	.	.	208.13	C8H4N2O5	105	284	2.3	15	0	5	0	InChI=1S/C8H4N2O5/c11-9(12)6-2-1-3-7-5(6)4-8(15-7)10(13)14/h1-4H	C1=CC(=C2C=C(OC2=C1)[N+](=O)[O-])[N+](=O)[O-]	MOECQHRJENTFOF-UHFFFAOYSA-N
DG52360	"1-(1,3-Benzothiazol-2-yl)-3-(2-chloro-4-nitrophenyl)urea"	332430	MLS000758505; NSC329250; CHEMBL1546888; ZINC5665089; NSC-329250; SMR000528947	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329250	.	.	.	.	348.8	C14H9ClN4O3S	128	464	3.7	23	2	5	2	"InChI=1S/C14H9ClN4O3S/c15-9-7-8(19(21)22)5-6-10(9)16-13(20)18-14-17-11-3-1-2-4-12(11)23-14/h1-7H,(H2,16,17,18,20)"	C1=CC=C2C(=C1)N=C(S2)NC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl	BWAZHNWZEVIGBV-UHFFFAOYSA-N
DG52361	N-(9H-carbazol-3-yl)-2-chlorobenzamide	332432	NSC329252; ZINC1574617; NSC-329252	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329252	.	.	.	.	320.8	C19H13ClN2O	44.9	443	4.8	23	2	1	2	"InChI=1S/C19H13ClN2O/c20-16-7-3-1-6-14(16)19(23)21-12-9-10-18-15(11-12)13-5-2-4-8-17(13)22-18/h1-11,22H,(H,21,23)"	C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)NC(=O)C4=CC=CC=C4Cl	SSHWWXLYKNRZGV-UHFFFAOYSA-N
DG52362	"N-(fluoren-9-ylideneamino)-3,4,5-trimethoxybenzamide"	332453	MLS003170766; NSC329273; ZINC1574643; AKOS001016184; MCULE-9421180956; NSC-329273; SMR001874684	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329273	.	.	.	.	388.4	C23H20N2O4	69.2	572	4.4	29	1	5	5	"InChI=1S/C23H20N2O4/c1-27-19-12-14(13-20(28-2)22(19)29-3)23(26)25-24-21-17-10-6-4-8-15(17)16-9-5-7-11-18(16)21/h4-13H,1-3H3,(H,25,26)"	COC1=CC(=CC(=C1OC)OC)C(=O)NN=C2C3=CC=CC=C3C4=CC=CC=C42	MXJCYBCMOGMSEC-UHFFFAOYSA-N
DG52363	"N-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzenesulfonamide"	332467	CHEMBL1958459; NSC329287; SCHEMBL14075845; BDBM50484788; ZINC17126321; NSC-329287; NCI60_002876	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329287	.	.	.	.	384.2	C15H11Cl2N3O3S	103	575	5	24	2	5	3	"InChI=1S/C15H11Cl2N3O3S/c1-8-2-4-10(5-3-8)24(22,23)20-19-14-11-6-9(16)7-12(17)13(11)18-15(14)21/h2-7,18,21H,1H3"	CC1=CC=C(C=C1)S(=O)(=O)N=NC2=C(NC3=C2C=C(C=C3Cl)Cl)O	ZJYHIQWOXPZVSJ-UHFFFAOYSA-N
DG52364	"3-Cyclohexyl-2-cyclohexylimino-6-phenyl-1,3,5-oxadiazine-4-thione"	332594	"69875-44-1; NSC330271; DTXSID20318412; 3-cyclohexyl-2-cyclohexylimino-6-phenyl-1,3,5-oxadiazine-4-thione; ZINC17126591; ZINC104215312; NSC-330271; 3-Cyclohexyl-2-(cyclohexylimino)-2,3-dihydro-6-phenyl-4H-1,3,5-oxadiazine-4-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	330271	.	.	.	.	369.5	C21H27N3OS	69.3	556	5.8	26	0	3	3	"InChI=1S/C21H27N3OS/c26-21-23-19(16-10-4-1-5-11-16)25-20(22-17-12-6-2-7-13-17)24(21)18-14-8-3-9-15-18/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2"	C1CCC(CC1)N=C2N(C(=S)N=C(O2)C3=CC=CC=C3)C4CCCCC4	QRHQIOYWEQJXOH-UHFFFAOYSA-N
DG52365	"2,4-Diamino-6-ethyl-5-(4-chloro-3-dimethylaminoazophenyl)pyrimidine"	332598	"NSC330465; CHEMBL49246; 113494-48-7; CHEMBL56311; DTXSID40318414; ZINC1574819; BDBM50058394; ZINC104215322; NSC-330465; NCI60_002890; 2,4-Diamino-6-ethyl-5-(4-chloro-3-dimethylaminoazophenyl)pyrimidine; 5-(3-Dimethylaminoazo-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; 5-[4-chloro-3-[(E)-dimethylaminoazo]phenyl]-6-ethyl-pyrimidine-2,4-diamine; ethanesulfonic salt of 5-{4-chloro-3-[(1E)-3,3-dimethyltriaz-1-enyl]phenyl}-6-ethylpyrimidine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	330465	.	.	.	.	319.79	C14H18ClN7	106	378	3.1	22	2	7	4	"InChI=1S/C14H18ClN7/c1-4-10-12(13(16)19-14(17)18-10)8-5-6-9(15)11(7-8)20-21-22(2)3/h5-7H,4H2,1-3H3,(H4,16,17,18,19)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN(C)C	WFFVOYIYKQPAFS-UHFFFAOYSA-N
DG52366	Schisanterin A	332607	"SCHISANTERIN A; Schizantherin A; NSC330516; Schisantherin; Schizandrer A; Schisantherin A,(S); CHEMBL1704343; HMS3885I10; Schisantherin A, >=98% (HPLC); s3880; CCG-208608; NSC-330516; NCGC00163664-01; Gomisin, 98%, from Schisandra chinensis; LS-15282; NCI60_002892; FT-0686703; FT-0775350; SR-05000002172; Q-100675; SR-05000002172-2; 6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-5-yl benzoate #; Benzo[3,2-f][1,3]benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, 5-benzoate, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	330516	.	.	.	.	536.6	C30H32O9	102	833	5	39	1	9	7	"InChI=1S/C30H32O9/c1-16-12-18-13-21-25(38-15-37-21)26(35-5)22(18)23-19(14-20(33-3)24(34-4)27(23)36-6)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3"	CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3	UFCGDBKFOKKVAC-UHFFFAOYSA-N
DG52367	NSC330753	332624	"[(1R,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC330753; [(1R,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; Baccatin  cento; CHEMBL2005552; s3928; CCG-270153; NSC-330753; NCI60_002895"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	330753	.	.	.	.	586.6	C31H38O11	166	1200	1.2	42	3	11	7	"InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31-/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C	OVMSOCFBDVBLFW-JQULDETKSA-N
DG52368	Zonarol	332671	ZONAROL; NSC331122; (+)-zonarol; CHEMBL461471; SCHEMBL2944215; NSC-331122; NCI60_002902; 39707-54-5	.	.	Investigative Drug(s)	Investigative	Small molecular drug	331122	.	.	.	.	314.5	C21H30O2	40.5	455	6.1	23	2	2	2	"InChI=1S/C21H30O2/c1-14-6-9-19-20(2,3)10-5-11-21(19,4)17(14)13-15-12-16(22)7-8-18(15)23/h7-8,12,17,19,22-23H,1,5-6,9-11,13H2,2-4H3/t17-,19-,21+/m1/s1"	C[C@@]12CCCC([C@H]1CCC(=C)[C@H]2CC3=C(C=CC(=C3)O)O)(C)C	CPXDKDFWEZFRKT-QFUCXCTJSA-N
DG52369	"2,2'-[Naphthalene-2,3-diylbis(oxymethylene)]bis(oxirane)"	332711	"34898-97-0; NSC331269; SCHEMBL7789651; CHEMBL1994021; DTXSID30318463; NSC-331269; NCI60_002903; DS-000565; Oxirane,2'-[2,3-naphthalendiylbis(oxymethylene)]bis-; Oxirane, 2,2-[2,3-naphthalendiylbis(oxymethylene)]bis-; 2,2'-[Naphthalene-2,3-diylbis(oxymethylene)]bis(oxirane)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	331269	.	.	.	.	272.29	C16H16O4	43.5	302	2.5	20	0	4	6	"InChI=1S/C16H16O4/c1-2-4-12-6-16(20-10-14-8-18-14)15(5-11(12)3-1)19-9-13-7-17-13/h1-6,13-14H,7-10H2"	C1C(O1)COC2=CC3=CC=CC=C3C=C2OCC4CO4	MPYZUNNAXVBHDC-UHFFFAOYSA-N
DG52370	"7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole"	332746	"NSC331798; 70733-29-8; 7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole; 7-bromo-5-methyl-4-nitro-2,1,3-benzothiadiazole; NSC 331798; DTXSID00220988; ZINC1575063; NSC-331798; DS-009186; 2,3-Benzothiadiazole, 7-bromo-5-methyl-4-nitro-; 2,1,3-Benzothiadiazole, 7-bromo-5-methyl-4-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	331798	.	.	.	.	274.1	C7H4BrN3O2S	99.8	250	2.7	14	0	5	0	"InChI=1S/C7H4BrN3O2S/c1-3-2-4(8)5-6(10-14-9-5)7(3)11(12)13/h2H,1H3"	CC1=C(C2=NSN=C2C(=C1)Br)[N+](=O)[O-]	HUMWHYXXWVTAQW-UHFFFAOYSA-N
DG52371	2-(4-Morpholinyl)-1-phenyl-1-(2-pyridinyl)-1-propanol	332785	NSC331973; NSC-331973; CHEMBL1965393; NCI60_002910; 2-(4-morpholinyl)-1-phenyl-1-(2-pyridinyl)-1-propanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	331973	.	.	.	.	298.4	C18H22N2O2	45.6	340	1.6	22	1	4	4	"InChI=1S/C18H22N2O2/c1-15(20-11-13-22-14-12-20)18(21,16-7-3-2-4-8-16)17-9-5-6-10-19-17/h2-10,15,21H,11-14H2,1H3"	CC(C(C1=CC=CC=C1)(C2=CC=CC=N2)O)N3CCOCC3	RCUZQOAGXSJBDW-UHFFFAOYSA-N
DG52372	2-(2-Imino-4-methyl-benzo[h]chromene-3-carboximidoyl)propanedinitrile	332834	"NSC332186; MLS000758515; CHEMBL1449555; NSC-332186; SMR000528954; [Imino(2-imino-4-methyl-2H-naphtho[1,2-b]pyran-3-yl)methyl]malononitrile; 2-(2-imino-4-methyl-benzo[h]chromene-3-carboximidoyl)propanedinitrile; 2-(Imino(2-imino-4-methyl-2H-benzo[h]chromen-3-yl)methyl)malononitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332186	.	.	.	.	300.3	C18H12N4O	105	658	3	23	2	5	2	"InChI=1S/C18H12N4O/c1-10-13-7-6-11-4-2-3-5-14(11)17(13)23-18(22)15(10)16(21)12(8-19)9-20/h2-7,12,21-22H,1H3"	CC1=C(C(=N)OC2=C1C=CC3=CC=CC=C32)C(=N)C(C#N)C#N	WJQVJKAILFHHJV-UHFFFAOYSA-N
DG52373	"1,5-g]quinolin-8-amine, N-1,3-benzodioxol-5-yl-6-methyl-"	332900	"NSC332421; ZINC13208332; NSC-332421; 1,5-g]quinolin-8-amine, N-1,3-benzodioxol-5-yl-6-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332421	.	.	.	.	322.3	C18H14N2O4	61.8	464	3.8	24	1	6	2	"InChI=1S/C18H14N2O4/c1-10-4-13(20-11-2-3-15-16(5-11)22-8-21-15)12-6-17-18(24-9-23-17)7-14(12)19-10/h2-7H,8-9H2,1H3,(H,19,20)"	CC1=CC(=C2C=C3C(=CC2=N1)OCO3)NC4=CC5=C(C=C4)OCO5	LCBPJTNEHPZLSA-UHFFFAOYSA-N
DG52374	"ethyl 4-(5,7-dimethyl-4-oxo-4H-chromen-3-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate"	332937	"NSC332471; NSC-332471; CHEMBL1966993; NCI60_002913; ethyl 4-(5,7-dimethyl-4-oxo-4H-chromen-3-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332471	.	.	.	.	356.4	C19H20N2O5	93.7	696	1.7	26	2	5	4	"InChI=1S/C19H20N2O5/c1-5-25-18(23)15-11(4)20-19(24)21-16(15)12-8-26-13-7-9(2)6-10(3)14(13)17(12)22/h6-8,16H,5H2,1-4H3,(H2,20,21,24)"	CCOC(=O)C1=C(NC(=O)NC1C2=COC3=CC(=CC(=C3C2=O)C)C)C	IJIJGOPEHCMIKT-UHFFFAOYSA-N
DG52375	"6-(1,3-Dihydrophenanthro[9,10-d]imidazol-2-ylidene)cyclohexa-2,4-dien-1-one"	332972	"MLS000758520; SMR000528957; 24293-67-2; NSC332670; CHEMBL1346056; SCHEMBL12160111; SCHEMBL20211621; BDBM58106; cid_5384447; DTXSID40419531; HMS2868I21; NSC793088; ZINC13130018; 6-(1,3-dihydrophenanthro[9,10-d]imidazol-2-ylidene)cyclohexa-2,4-dien-1-one; NSC-332670; NSC-793088; 2-(1H-Phenanthro[9,10-d]imidazole-2-yl)phenol; SR-01000760236; SR-01000760236-2; 6-(1,3-dihydrophenanthr[9,10-d]imidazol-2-ylidene)cyclohexa-2,4-dien-1-one; 6-(1,3-dihydrophenanthro[9,10-d]imidazol-2-ylidene)-1-cyclohexa-2,4-dienone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332670	.	.	.	.	310.3	C21H14N2O	48.9	455	4.4	24	2	2	1	"InChI=1S/C21H14N2O/c24-18-12-6-5-11-17(18)21-22-19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(19)23-21/h1-12,24H,(H,22,23)"	C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2NC(=N4)C5=CC=CC=C5O	USJRSBYEUBALIV-UHFFFAOYSA-N
DG52376	"Carbamothioic acid, S-[2-(2,6-dichlorophenyl)-1-oxo-1H-inden-3-yl] ester"	333069	"NSC332837; ZINC1575813; NSC-332837; Carbamothioic acid, S-[2-(2,6-dichlorophenyl)-1-oxo-1H-inden-3-yl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332837	.	.	.	.	378.3	C18H13Cl2NO2S	62.7	553	4.8	24	0	3	3	"InChI=1S/C18H13Cl2NO2S/c1-21(2)18(23)24-17-11-7-4-3-6-10(11)16(22)15(17)14-12(19)8-5-9-13(14)20/h3-9H,1-2H3"	CN(C)C(=O)SC1=C(C(=O)C2=CC=CC=C21)C3=C(C=CC=C3Cl)Cl	SQEJLJCVAKTETI-UHFFFAOYSA-N
DG52377	"(5-Oxido-4-thiophen-2-yl-2,3-dihydro-1,2,5-oxadiazol-5-ium-3-yl)-thiophen-2-ylmethanone"	333142	NSC333205; NSC-333205	.	.	Investigative Drug(s)	Investigative	Small molecular drug	333205	.	.	.	.	280.3	C11H8N2O3S2	124	389	2.7	18	1	6	3	"InChI=1S/C11H8N2O3S2/c14-11(8-4-2-6-18-8)9-10(13(15)16-12-9)7-3-1-5-17-7/h1-6,9,12H"	C1=CSC(=C1)C2=[N+](ONC2C(=O)C3=CC=CS3)[O-]	UHIJPASBKABNDY-UHFFFAOYSA-N
DG52378	Phenyl gallate	333279	"phenyl gallate; 70022-13-8; Benzoic acid,3,4,5-trihydroxy-, phenyl ester; MLS003170836; phenyl 3,4,5-trihydroxybenzoate; NSC333571; SCHEMBL2495353; CHEMBL1970944; DTXSID40318656; ZINC1576053; NSC-333571; SMR001874753; DS-007164; Benzoic acid,4,5-trihydroxy-, phenyl ester; Benzoic acid, 3,4,5-trihydroxy-, phenyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	333571	.	.	.	.	246.21	C13H10O5	87	275	2.4	18	3	5	3	"InChI=1S/C13H10O5/c14-10-6-8(7-11(15)12(10)16)13(17)18-9-4-2-1-3-5-9/h1-7,14-16H"	C1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2)O)O)O	HBZMQFJTPHSKNH-UHFFFAOYSA-N
DG52379	"9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy-4-(hydroxymethyl)-"	333459	"NSC334352; MLS002702881; 86455-91-6; 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy-4-(hydroxymethyl)-; SMR001566699; 9H-Thioxanthen-9-one, 1-((2-(dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-; NSC 334352; Neuro_000172; CHEMBL21677; cid_333459; SCHEMBL10998783; DTXSID50235562; BDBM114643; ZINC5392992; 1-(2-dimethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one; NSC-334352; NCI60_002928; DS-009459; SR-01000879619; SR-01000879619-2; 1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-methylol-thioxanthen-9-one; 1-[2-(dimethylamino)ethylamino]-4-(hydroxymethyl)-7-oxidanyl-thioxanthen-9-one; 1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)-9-thioxanthenone; 1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	334352	.	.	.	.	344.4	C18H20N2O3S	98.1	448	1.6	24	3	6	5	"InChI=1S/C18H20N2O3S/c1-20(2)8-7-19-14-5-3-11(10-21)18-16(14)17(23)13-9-12(22)4-6-15(13)24-18/h3-6,9,19,21-22H,7-8,10H2,1-2H3"	CN(C)CCNC1=C2C(=C(C=C1)CO)SC3=C(C2=O)C=C(C=C3)O	YDQFGJFCLNZQJY-UHFFFAOYSA-N
DG52380	1-(2H-chromen-3-yl)-3-phenyl-prop-2-yn-1-one	333501	"86535-72-0; NSC334717; 1-(2H-chromen-3-yl)-3-phenyl-prop-2-yn-1-one; CHEMBL1978397; DTXSID20318750; NSC-334717; NCI60_002931; 2-Propyn-1-one, 1-(2H-1-benzopyran-3-yl)-3-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	334717	.	.	.	.	260.3	C18H12O2	26.3	456	3.9	20	0	2	2	"InChI=1S/C18H12O2/c19-17(11-10-14-6-2-1-3-7-14)16-12-15-8-4-5-9-18(15)20-13-16/h1-9,12H,13H2"	C1C(=CC2=CC=CC=C2O1)C(=O)C#CC3=CC=CC=C3	ZYFJCSFYKVNKSF-UHFFFAOYSA-N
DG52381	4-Ethyl-6-methoxy-7-(oxiran-2-ylmethoxy)quinazoline	333565	"4-ethyl-6-methoxy-7-(oxiran-2-ylmethoxy)quinazoline; 83674-93-5; NSC335766; SCHEMBL7597120; CHEMBL1987943; DTXSID60318779; NSC-335766; NCI60_002943; DS-005333; Quinazoline, 4-ethyl-6-methoxy-7-(oxiranylmethoxy)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	335766	.	.	.	.	260.29	C14H16N2O3	56.8	302	2	19	0	5	5	"InChI=1S/C14H16N2O3/c1-3-11-10-4-13(17-2)14(19-7-9-6-18-9)5-12(10)16-8-15-11/h4-5,8-9H,3,6-7H2,1-2H3"	CCC1=NC=NC2=CC(=C(C=C21)OC)OCC3CO3	ZTWHHVCHUZUNBI-UHFFFAOYSA-N
DG52382	NSC335995	333594	"(7,12,13,14-Tetraacetyloxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-6-yl) acetate; NSC335995; CHEMBL1999443; ZINC5707003; NSC-335995; NCI60_002949"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	335995	.	.	.	.	528.4	C24H16O14	184	1070	1.3	38	0	14	10	"InChI=1S/C24H16O14/c1-7(25)32-13-6-12-14-15-16(24(31)38-18(14)17(13)33-8(2)26)20(34-9(3)27)22(36-11(5)29)21(35-10(4)28)19(15)37-23(12)30/h6H,1-5H3"	CC(=O)OC1=C(C2=C3C(=C1)C(=O)OC4=C(C(=C(C(=C34)C(=O)O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	QLHRNXMRTLKUDR-UHFFFAOYSA-N
DG52383	"2-(2-Methylphenyl)-2,3-dihydro-4H-chromeno(2,3-d)pyrimidin-4-one"	333612	"NSC336032; 75586-35-5; MLS003170857; 2-(2-Methylphenyl)-2,3-dihydro-4H-chromeno(2,3-d)pyrimidin-4-one; 2-(2-Methylphenyl)-2,3-dihydro-4H-chromeno[2,3-d]pyrimidin-4-one; NSC 336032; CHEMBL1994664; NSC-336032; SMR001874774; 4H-[1]Benzopyrano[2,3-d]pyrimidine-4-one der.; 2-(o-tolyl)-2,3-dihydrochromeno[2,3-d]pyrimidin-4-one; 4H-[1]Benzopyrano[2, 2,3-dihydro-2-(2-methylphenyl)-; 4H-[1]Benzopyrano[2,3-d]pyrimidine-4-one, 2,3-dihydro-2-(2-methylphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	336032	.	.	.	.	290.3	C18H14N2O2	50.7	525	3.2	22	1	3	1	"InChI=1S/C18H14N2O2/c1-11-6-2-4-8-13(11)16-19-17(21)14-10-12-7-3-5-9-15(12)22-18(14)20-16/h2-10,16H,1H3,(H,19,21)"	CC1=CC=CC=C1C2NC(=O)C3=CC4=CC=CC=C4OC3=N2	ALLSYZMZJAHIPJ-UHFFFAOYSA-N
DG52384	"6-Butyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione"	333618	"81721-76-8; UNII-WGD1TVN7IQ; WGD1TVN7IQ; NSC336043; 6-Butyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione; 6-Butyl-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione; 6-butylindeno[1,2-c]isoquinoline-5,11-dione; NSC 336043; CHEMBL1978639; DTXSID60231292; ZINC1576539; NSC-336043; NCI60_002953; DS-009029"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	336043	.	.	.	.	303.4	C20H17NO2	37.4	550	3.6	23	0	2	3	"InChI=1S/C20H17NO2/c1-2-3-12-21-18-14-9-5-6-10-15(14)19(22)17(18)13-8-4-7-11-16(13)20(21)23/h4-11H,2-3,12H2,1H3"	CCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42	FZJXJUPQVOAASE-UHFFFAOYSA-N
DG52385	"1-Piperidinesulfonamide, N-(7-amino-2-naphthalenyl)-"	333624	"MLS003170861; 1-Piperidinesulfonamide, N-(7-amino-2-naphthalenyl)-; NSC336053; ZINC1576544; NSC-336053; SMR001874778"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	336053	.	.	.	.	305.4	C15H19N3O2S	83.8	442	2.2	21	2	5	3	"InChI=1S/C15H19N3O2S/c16-14-6-4-12-5-7-15(11-13(12)10-14)17-21(19,20)18-8-2-1-3-9-18/h4-7,10-11,17H,1-3,8-9,16H2"	C1CCN(CC1)S(=O)(=O)NC2=CC3=C(C=CC(=C3)N)C=C2	XRKVXXQHCZHMRY-UHFFFAOYSA-N
DG52386	Predorine	333830	"PREDORINE; NSC337851; 83759-46-0; CHEMBL1995795; DTXSID20318876; ZINC82190468; NSC-337851; NCI60_002975; Pregna-1,11,20-trione, 21-[[[[3,6-bis(dimethylamino)-9-acridinyl]thio]acetyl]oxy]-17-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	337851	.	.	.	.	695.9	C40H45N3O6S	142	1430	5.6	50	1	10	9	"InChI=1S/C40H45N3O6S/c1-38-15-13-26(44)17-23(38)7-10-27-30-14-16-40(48,39(30,2)20-33(45)36(27)38)34(46)21-49-35(47)22-50-37-28-11-8-24(42(3)4)18-31(28)41-32-19-25(43(5)6)9-12-29(32)37/h8-9,11-13,15,17-19,27,30,36,48H,7,10,14,16,20-22H2,1-6H3/t27-,30-,36+,38-,39-,40-/m0/s1"	C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)CSC4=C5C=CC(=CC5=NC6=C4C=CC(=C6)N(C)C)N(C)C)O)CCC7=CC(=O)C=C[C@]37C	JYRZNFYQWHJSJA-XFETZTPGSA-N
DG52387	2-[(2-Bromo-4-methylphenoxy)methyl]oxirane	334089	68224-00-0; 2-[(2-bromo-4-methylphenoxy)methyl]oxirane; NSC338423; CHEMBL1964303; DTXSID00318995; 2-Bromo-4-methylphenylglycidyl ether; AKOS000262070; AKOS017283032; NSC-338423; NCI60_002982	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338423	.	.	.	.	243.1	C10H11BrO2	21.8	174	2.6	13	0	2	3	"InChI=1S/C10H11BrO2/c1-7-2-3-10(9(11)4-7)13-6-8-5-12-8/h2-4,8H,5-6H2,1H3"	CC1=CC(=C(C=C1)OCC2CO2)Br	DAQKAYNUNRPQFT-UHFFFAOYSA-N
DG52388	"6-Phenyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione"	334247	"81721-82-6; NSC338643; MLS002701829; 6-Phenyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione; 6-Phenyl-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione; 6-phenylindeno[1,2-c]isoquinoline-5,11-dione; NSC 338643; CHEMBL1872375; SCHEMBL20944810; DTXSID20231298; 6-Phenyl-6H-indeno[1,11-dione; ZINC1578272; NSC-338643; NCI60_002985; SMR001565422; {6-Phenyl-6H-indeno[1,2-c]isoquinoline-5,11-dione}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338643	.	.	.	.	323.3	C22H13NO2	37.4	616	3.9	25	0	2	1	InChI=1S/C22H13NO2/c24-21-17-12-6-5-11-16(17)20-19(21)15-10-4-7-13-18(15)22(25)23(20)14-8-2-1-3-9-14/h1-13H	C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53	WSCFBMNKAKJCHD-UHFFFAOYSA-N
DG52389	"6-Ethyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione"	334248	"81721-73-5; UNII-IRQ11YJ3RC; NSC338644; IRQ11YJ3RC; 6-Ethyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione; 6-Ethyl-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione; 6-ethylindeno[1,2-c]isoquinoline-5,11-dione; NSC 338644; CHEMBL141103; SCHEMBL4458946; DTXSID30231289; ZINC1578273; NSC-338644; NCI60_002986; 6-Ethyl-11H-indeno[1,2-c]isoquinoline-5(6H),11-dione; 6-Ethyl-5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338644	.	.	.	.	275.3	C18H13NO2	37.4	521	2.7	21	0	2	1	"InChI=1S/C18H13NO2/c1-2-19-16-12-8-4-5-9-13(12)17(20)15(16)11-7-3-6-10-14(11)18(19)21/h3-10H,2H2,1H3"	CCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42	MXFQAZZHZMQRRV-UHFFFAOYSA-N
DG52390	"6,9-Dihydro-6,9-ethanobenzo[g]isoquinoline-5,10-dione"	334273	"96937-79-0; NSC338698; SCHEMBL419972; 6,10-dione, 6,9-dihydro-; DTXSID40319042; NSC-338698; 6,9-Dihydro-6,9-ethanobenzo[g]isoquinoline-5,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338698	.	.	.	.	237.25	C15H11NO2	47	503	1.9	18	0	3	0	"InChI=1S/C15H11NO2/c17-14-10-5-6-16-7-11(10)15(18)13-9-3-1-8(2-4-9)12(13)14/h1,3,5-9H,2,4H2"	C1CC2C=CC1C3=C2C(=O)C4=C(C3=O)C=CN=C4	NCNRQBOCQNWNKQ-UHFFFAOYSA-N
DG52391	Gilvocarcin V	334288	"Gilvocarcin V; 77879-90-4; NSC348115; 4-[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-8-ethenyl-1-hydroxy-10,12-dimethoxynaphtho[1,2-c]isochromen-6-one; 6H-Benzo[d]naphtho[1, 4-(6-deoxy-.alpha.- L-galactofuranosyl)-8-ethenyl-1-hydroxy-10,12-dimethoxy-; DTXSID80999069; NSC338943; BS-1361; NSC-338943; NSC-348115; 1,4-Anhydro-6-deoxy-1-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxo-6H-benzo[d]naphtho[1,2-b]pyran-4-yl)hexitol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	348115	.	.	.	.	494.5	C27H26O9	135	821	3.2	36	4	9	5	"InChI=1S/C27H26O9/c1-5-12-8-15-19(17(9-12)33-3)14-10-18(34-4)21-16(29)7-6-13(20(21)25(14)36-27(15)32)26-23(31)22(30)24(35-26)11(2)28/h5-11,22-24,26,28-31H,1H2,2-4H3"	CC(C1C(C(C(O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C=C)OC)OC)O)O)O	XCWHINLKQMCRON-UHFFFAOYSA-N
DG52392	"Phenyl 2-(3-cyclohexyl-2,4,6-trioxo-1,3-diazinan-1-yl)benzenesulfonate"	334318	MLS003170946; NSC339124; CHEMBL1879119; ZINC1578354; NSC-339124; NCI60_002996; SMR001874860	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339124	.	.	.	.	442.5	C22H22N2O6S	109	795	3.7	31	0	6	5	"InChI=1S/C22H22N2O6S/c25-20-15-21(26)24(22(27)23(20)16-9-3-1-4-10-16)18-13-7-8-14-19(18)31(28,29)30-17-11-5-2-6-12-17/h2,5-8,11-14,16H,1,3-4,9-10,15H2"	C1CCC(CC1)N2C(=O)CC(=O)N(C2=O)C3=CC=CC=C3S(=O)(=O)OC4=CC=CC=C4	BEFDXEZAPJMFBK-UHFFFAOYSA-N
DG52393	"2,6-Diamino-9-[2,6-dichlorobenzyl]purine"	334344	"NSC339176; 9-(2,6-diamine; CHEMBL1972344; ZINC13207724; NSC-339176; NCI60_003000; 2,6-Diamino-9-[2,6-dichlorobenzyl]purine; 9-(2,6-Dichlorobenzyl)-9H-purine-2,6-diamine #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339176	.	.	.	.	309.15	C12H10Cl2N6	95.6	336	2.2	20	2	5	2	"InChI=1S/C12H10Cl2N6/c13-7-2-1-3-8(14)6(7)4-20-5-17-9-10(15)18-12(16)19-11(9)20/h1-3,5H,4H2,(H4,15,16,18,19)"	C1=CC(=C(C(=C1)Cl)CN2C=NC3=C(N=C(N=C32)N)N)Cl	SXLNMLQLYSFXSI-UHFFFAOYSA-N
DG52394	"1,4-Benzenediamine, N1-9-acridinyl-2-methoxy-"	334401	"NSC339496; MLS003170962; CHEMBL107370; SCHEMBL13529531; 1, N1-9-acridinyl-2-methoxy-; ZINC5393054; 1, N(1)-9-acridinyl-2-methoxy-; NSC-339496; SMR001874876; 1,4-Benzenediamine, N1-9-acridinyl-2-methoxy-; N1-acridin-9-yl-2-methoxy-benzene-1,4-diamine; 1, 4-Benzenediamine, N1-9-acridinyl-2-methoxy-; 1,4-Benzenediamine, N(1)-9-acridinyl-2-methoxy-; N~1~-(9-Acridinyl)-2-methoxy-1,4-benzenediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339496	.	.	.	.	315.4	C20H17N3O	60.2	396	4.4	24	2	4	3	"InChI=1S/C20H17N3O/c1-24-19-12-13(21)10-11-18(19)23-20-14-6-2-4-8-16(14)22-17-9-5-3-7-15(17)20/h2-12H,21H2,1H3,(H,22,23)"	COC1=C(C=CC(=C1)N)NC2=C3C=CC=CC3=NC4=CC=CC=C42	ZFZIUGOGRMNHQT-UHFFFAOYSA-N
DG52395	"7H-Pyrrolo[3,2-f]quinazoline-1,3-diamine"	334409	"7H-Pyrrolo[3,2-f]quinazoline-1,3-diamine; 65795-37-1; TCMDC-124301; NSC339578; DMA7VBB8RW; UNII-DMA7VBB8RW; MLS000758537; CHEMBL353764; 4H-pyrrolo[3,2-f]quinazoline-1,3-diamine; 7H-Pyrrolo(3,2-f)quinazoline-1,3-diamine; NSC-339578; 7h-pyrrolo{3,2-f]quinazoline-1,3-diamine; 7H-Pyrrolo{3,2-f}quinazoline-1,3-diamine; NSC 339578; SCHEMBL5626056; SCHEMBL5626059; DTXSID70215982; ZINC1578473; BDBM50049904; AKOS006277304; NCGC00246796-01; AC-12395; AS-82000; SMR000528966; CS-0130155; 7-H-pyrrolo[3,2-f]quinazoline-1,3-diamine; E71281; A937118"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339578	.	.	.	.	199.21	C10H9N5	88.8	528	0.3	15	3	3	0	"InChI=1S/C10H9N5/c11-9-8-5-3-4-13-6(5)1-2-7(8)14-10(12)15-9/h1-4H,11H2,(H3,12,14,15)"	C1=C2C(=C(N=C(N2)N)N)C3=CC=NC3=C1	TYJMBWNFQVCGFT-UHFFFAOYSA-N
DG52396	"7H-Pyrrolo[3,4-diamine, 7-[(3-nitrophenyl)methyl]-, monoacetate"	334410	"MLS003170963; NSC339579; CHEMBL1904209; NSC-339579; SMR001874877; 7H-Pyrrolo[3,4-diamine, 7-[(3-nitrophenyl)methyl]-, monoacetate; 7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate; 7H-Pyrrolo[3,2-f]quinazoline-2,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339579	.	.	.	.	394.4	C19H18N6O4	166	531	.	29	3	8	2	"InChI=1S/C17H14N6O2.C2H4O2/c18-16-15-12-6-7-22(9-10-2-1-3-11(8-10)23(24)25)14(12)5-4-13(15)20-17(19)21-16;1-2(3)4/h1-8H,9H2,(H4,18,19,20,21);1H3,(H,3,4)"	CC(=O)O.C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=CC3=C2C=CC4=C3C(=NC(=N4)N)N	UFFKDOLCUFDMQB-UHFFFAOYSA-N
DG52397	"6-Propyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione"	334473	"UNII-POE5E5Q5PZ; NSC339704; POE5E5Q5PZ; 81721-74-6; 6-Propyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione; 6-Propyl-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione; NSC 339704; 6-propylindeno[1,2-c]isoquinoline-5,11-dione; CHEMBL142119; SCHEMBL4447832; DTXSID40231290; ZINC1578554; NSC-339704; NCI60_003018; DS-009151; 6-Propyl-11H-indeno[1,2-c]isoquinoline-5(6H),11-dione; 5,6-Dihydro-5,11-diketo-6-propyl-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339704	.	.	.	.	289.3	C19H15NO2	37.4	536	3.3	22	0	2	2	"InChI=1S/C19H15NO2/c1-2-11-20-17-13-8-4-5-9-14(13)18(21)16(17)12-7-3-6-10-15(12)19(20)22/h3-10H,2,11H2,1H3"	CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42	XTNSBPFEFLVLBC-UHFFFAOYSA-N
DG52398	"6-(2-Hydroxyethyl)-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione"	334474	"81721-79-1; 6-(2-Hydroxyethyl)-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione; NSC339705; MLS002701832; CHEMBL123218; 6-(2-Hydroxyethyl)-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione; NSC 339705; SCHEMBL16312042; 6-(2-hydroxyethyl)indeno[1,2-c]isoquinoline-5,11-dione; DTXSID40231295; ZINC1578555; BDBM50388593; STL523979; AKOS030487573; NSC-339705; NCI60_003019; SMR001565425; DS-005788; 5H-Indeno[1,11(6H)-dione, 6-(2-hydroxyethyl)-; 6-(2-Hydroxyethyl)-5 H-indeno[1,2-c]isoquinoline-5,11(6 H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339705	.	.	.	.	291.3	C18H13NO3	57.6	539	1.7	22	1	3	2	"InChI=1S/C18H13NO3/c20-10-9-19-16-12-6-2-3-7-13(12)17(21)15(16)11-5-1-4-8-14(11)18(19)22/h1-8,20H,9-10H2"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCO	UHXGJXGJNJTBRV-UHFFFAOYSA-N
DG52399	"1H-Isoindole-1, 5,5'-dithiobis[6-chlorohexahydro-2-[(1,1,2,2-tetrachloroethyl)thio-"	334486	"NSC339866; CHEMBL1993048; NSC-339866; NCI60_003022; 1H-Isoindole-1, 5,5'-dithiobis[6-chlorohexahydro-2-[(1,1,2,2-tetrachloroethyl)thio-; 1H-Isoindole-1, 5,5'-dithiobis[6-chlorohexahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339866	.	.	.	.	833.2	C20H18Cl10N2O4S4	176	979	7.4	40	0	8	9	"InChI=1S/C20H18Cl10N2O4S4/c21-9-1-5-7(15(35)31(13(5)33)39-19(27,28)17(23)24)3-11(9)37-38-12-4-8-6(2-10(12)22)14(34)32(16(8)36)40-20(29,30)18(25)26/h5-12,17-18H,1-4H2"	C1C2C(CC(C1SSC3CC4C(CC3Cl)C(=O)N(C4=O)SC(C(Cl)Cl)(Cl)Cl)Cl)C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl	BCRRQTMYMQMOAZ-UHFFFAOYSA-N
DG52400	"2-(1-methylindol-3-yl)-2,3-dihydro-1H-quinazolin-4-one"	334489	"NSC339877; MLS002701833; CHEMBL1728371; 2-(1-methylindol-3-yl)-2,3-dihydro-1H-quinazolin-4-one; NSC-339877; NCI60_003024; SMR001565426; J3.651.692E; 4(1H)-Quinazolinone,3-dihydro-2-(1-methyl-1H-indol-3-yl)-; 2-(1-Methyl-1H-indole-3-yl)-1,2-dihydroquinazoline-4(3H)-one; 4(1H)-Quinazolinone, 2,3-dihydro-2-(1-methyl-1H-indol-3-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339877	.	.	.	.	277.32	C17H15N3O	46.1	413	2.7	21	2	2	1	"InChI=1S/C17H15N3O/c1-20-10-13(11-6-3-5-9-15(11)20)16-18-14-8-4-2-7-12(14)17(21)19-16/h2-10,16,18H,1H3,(H,19,21)"	CN1C=C(C2=CC=CC=C21)C3NC4=CC=CC=C4C(=O)N3	GQSQKIVHIQRRJM-UHFFFAOYSA-N
DG52401	"5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one"	334509	"NSC339908; 64769-68-2; CHEMBL247879; NSC-339908; NCIStruc1_001905; NCIStruc2_001930; SCHEMBL2484352; DTXSID00319109; ZINC1578606; BDBM50371210; CCG-36968; NCGC00014786; NCI339908; NCGC00014786-02; NCGC00097887-01; NCI60_003025; DS-001579; 5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one; 6-(4-((dimethylamino)methyl)phenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one; 6-[4-[(dimethylamino)methyl]phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one; Isoxazolo[4,5-c]pyridin-4(5h)-one,6-[4-[(dimethylamino)methyl]phenyl]-5-methyl-3-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339908	.	.	.	.	359.4	C22H21N3O2	49.6	562	3.1	27	0	4	4	"InChI=1S/C22H21N3O2/c1-24(2)14-15-9-11-16(12-10-15)18-13-19-20(22(26)25(18)3)21(23-27-19)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3"	CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)CN(C)C	NOHFHPIPRSKJQF-UHFFFAOYSA-N
DG52402	1-Cyclopropyl-3-[4-[4-(cyclopropylcarbamoylamino)-3-methoxyphenyl]-2-methoxyphenyl]urea	334739	"MLS000758547; SMR000528969; NSC341196; cid_334739; CHEMBL1333647; BDBM58127; HMS2886I11; ZINC640777; AKOS024431281; MCULE-4922594445; NSC-341196; 1-cyclopropyl-3-[4-[4-(cyclopropylcarbamoylamino)-3-methoxyphenyl]-2-methoxyphenyl]urea; 4,4'-BIS(CYCLOPROPYLUREIDO)-3,3'-DIMETHOXYBIPHENYL; 1-cyclopropyl-3-[4-[4-(cyclopropylcarbamoylamino)-3-methoxy-phenyl]-2-methoxy-phenyl]urea; 1-cyclopropyl-3-[4-[4-[[(cyclopropylamino)-oxomethyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	341196	.	.	.	.	410.5	C22H26N4O4	101	558	2.6	30	4	4	7	"InChI=1S/C22H26N4O4/c1-29-19-11-13(3-9-17(19)25-21(27)23-15-5-6-15)14-4-10-18(20(12-14)30-2)26-22(28)24-16-7-8-16/h3-4,9-12,15-16H,5-8H2,1-2H3,(H2,23,25,27)(H2,24,26,28)"	COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)NC3CC3)OC)NC(=O)NC4CC4	XGOGMONLNQBDKN-UHFFFAOYSA-N
DG52403	2-Bromo-9-(2-deoxypentofuranosyl)-9H-purin-6-amine	334838	89178-21-2; NSC-341936; DTXSID401008691; NSC341936; 2-Bromo-9-(2-deoxypentofuranosyl)-9H-purin-6-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	341936	.	.	.	.	330.14	C10H12BrN5O3	119	338	0.9	19	3	7	2	"InChI=1S/C10H12BrN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)"	C1C(C(OC1N2C=NC3=C(N=C(N=C32)Br)N)CO)O	UYDKYWTWCPKLJR-UHFFFAOYSA-N
DG52404	"1H-Indole-2-carboxylic acid, 5,6-bis(acetyloxy)-2, 3-dihydro-2-methyl-, methyl ester"	334839	"MLS000758549; 72014-01-8; 1H-Indole-2-carboxylic acid, 5,6-bis(acetyloxy)-2, 3-dihydro-2-methyl-, methyl ester; NSC341956; CHEMBL1487623; DTXSID10319211; NSC-341956; SMR000528970; DS-002933; 1H-Indole-2-carboxylic acid,6-bis(acetyloxy)-2,3-dihydro-2-methyl-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	341956	.	.	.	.	307.3	C15H17NO6	90.9	479	1.6	22	1	7	6	"InChI=1S/C15H17NO6/c1-8(17)21-12-5-10-7-15(3,14(19)20-4)16-11(10)6-13(12)22-9(2)18/h5-6,16H,7H2,1-4H3"	CC(=O)OC1=C(C=C2C(=C1)CC(N2)(C)C(=O)OC)OC(=O)C	ROHZHZUPUYTOST-UHFFFAOYSA-N
DG52405	"Quinazolinone 6-OH-2,3-dihydro-2-(1-naphthyl)"	334935	"CHEMBL1987140; NSC342435; NSC-342435; NCI60_003040; QUINAZOLINONE 6-OH-2,3-DIHYDRO-2-(1-NAPHTHYL)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	342435	.	.	.	.	290.3	C18H14N2O2	61.4	427	3.5	22	3	3	1	"InChI=1S/C18H14N2O2/c21-12-8-9-16-15(10-12)18(22)20-17(19-16)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,17,19,21H,(H,20,22)"	C1=CC=C2C(=C1)C=CC=C2C3NC4=C(C=C(C=C4)O)C(=O)N3	DSPVMXZFVUAEBC-UHFFFAOYSA-N
DG52406	"6-(2-Propynyl)-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione"	334955	"81721-78-0; NSC342609; 6-(2-Propynyl)-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione; 6-(2-Propynyl)-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione; 6-prop-2-ynylindeno[1,2-c]isoquinoline-5,11-dione; NSC 342609; CHEMBL1981244; DTXSID80231294; ZINC1579551; NSC-342609; NCI60_003041; DS-005791"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	342609	.	.	.	.	285.3	C19H11NO2	37.4	608	2.5	22	0	2	1	"InChI=1S/C19H11NO2/c1-2-11-20-17-13-8-4-5-9-14(13)18(21)16(17)12-7-3-6-10-15(12)19(20)22/h1,3-10H,11H2"	C#CCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42	UMRYKNVDLHXTAA-UHFFFAOYSA-N
DG52407	"6-(3-Pyridinyl)-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione"	334956	"81721-83-7; NSC342610; 6-(3-Pyridinyl)-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione; 6-(3-Pyridinyl)-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione; NSC 342610; CHEMBL1999981; DTXSID80231299; ZINC1579552; 5H-Indeno[1,2-c]isoquinoline-5,11(6H)-dione, 6-(3-pyridinyl)-; STL523755; AKOS030487089; NSC-342610; NCI60_003042; DS-005715; 6-(3-pyridyl)indeno[1,2-c]isoquinoline-5,11-dione; 6-(pyridin-3-yl)-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	342610	.	.	.	.	324.3	C21H12N2O2	50.3	625	2.9	25	0	3	1	InChI=1S/C21H12N2O2/c24-20-16-9-3-2-8-15(16)19-18(20)14-7-1-4-10-17(14)21(25)23(19)13-6-5-11-22-12-13/h1-12H	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)C5=CN=CC=C5	CXCKDYOPDOUJTL-UHFFFAOYSA-N
DG52408	"1-[2-(2-Hydroxyethoxy)ethoxy]-9,10-anthraquinone"	335015	"NSC342913; CHEMBL1977973; ZINC5460290; NSC-342913; 1-[2-(2-Hydroxyethoxy)ethoxy]-9,10-anthraquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	342913	.	.	.	.	312.3	C18H16O5	72.8	435	2.5	23	1	5	6	"InChI=1S/C18H16O5/c19-8-9-22-10-11-23-15-7-3-6-14-16(15)18(21)13-5-2-1-4-12(13)17(14)20/h1-7,19H,8-11H2"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)OCCOCCO	VPNNMUNVZCJJLA-UHFFFAOYSA-N
DG52409	"1H-Indene-1,3(2H)-dione, 2-[[(2-methylphenyl)imino]phenylmethyl]-"	335118	"MLS003170992; 90421-93-5; NSC343378; CHEMBL1873385; DTXSID00319280; ZINC102180801; ZINC102180805; NSC-343378; SMR001874905; 1H-Indene-1, 2-[[(2-methylphenyl)imino]phenylmethyl]-; 1H-Indene-1,3(2H)-dione, 2-[[(2-methylphenyl)imino]phenylmethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	343378	.	.	.	.	339.4	C23H17NO2	46.5	551	5.2	26	0	3	3	"InChI=1S/C23H17NO2/c1-15-9-5-8-14-19(15)24-21(16-10-3-2-4-11-16)20-22(25)17-12-6-7-13-18(17)23(20)26/h2-14,20H,1H3"	CC1=CC=CC=C1N=C(C2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4	ZCLPAQYHDXAQFS-UHFFFAOYSA-N
DG52410	1-(4-Bromo-3-methyl-phenyl)-5-prop-2-ynylsulfanyl-tetrazole	335168	NSC343550; MLS000758554; CHEMBL1368720; ZINC1579734; CCG-49122; NSC-343550; SMR000528973; SR-01000638601-1; 1-(4-bromo-3-methyl-phenyl)-5-prop-2-ynylsulfanyl-tetrazole; 1-(4-Bromo-3-methylphenyl)-5-(2-propynylthio)-1H-tetraazole; 1-(4-Bromo-3-methylphenyl)-1H-tetraazol-5-yl 2-propynyl sulfide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	343550	.	.	.	.	309.19	C11H9BrN4S	68.9	305	3.2	17	0	4	3	"InChI=1S/C11H9BrN4S/c1-3-6-17-11-13-14-15-16(11)9-4-5-10(12)8(2)7-9/h1,4-5,7H,6H2,2H3"	CC1=C(C=CC(=C1)N2C(=NN=N2)SCC#C)Br	MZYMILHVEGGJOR-UHFFFAOYSA-N
DG52411	"1,5-Bis[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione"	335352	"NSC344003; MLS002701865; SMR001565456; 1,5-bis[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione; NCIMech_000277; cid_335352; CHEMBL1708493; SCHEMBL13856921; BDBM114665; ZINC5461892; CCG-35412; NSC-344003; NCI60_003055; NCI60_003347; 9, 1,5-bis[[3-[(2-hydroxyethyl)amino]propyl]amino]-; 1,5-bis[3-(2-hydroxyethylamino)propylamino]-9,10-anthraquinone; 1,5-Bis({3-[(2-hydroxyethyl)amino]propyl}amino)anthra-9,10-quinone; 1,5-Bis[[3-[(2-hydroxyethyl)amino]propyl]amino]anthracene-9,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	344003	.	.	.	.	440.5	C24H32N4O4	123	540	2.4	32	6	8	14	"InChI=1S/C24H32N4O4/c29-15-13-25-9-3-11-27-19-7-1-5-17-21(19)24(32)18-6-2-8-20(22(18)23(17)31)28-12-4-10-26-14-16-30/h1-2,5-8,25-30H,3-4,9-16H2"	C1=CC2=C(C(=C1)NCCCNCCO)C(=O)C3=C(C2=O)C(=CC=C3)NCCCNCCO	ZDFMCUHFIYMYTO-UHFFFAOYSA-N
DG52412	"(6aS)-2,3-Dimethoxy-8,9-(methylenedioxy)-6-methyl-6,6abeta-dihydro-5H-indeno[1,2-c]isoquinoline-5,11(11abetaH)-dione"	335395	"NSC344505; CHEMBL439615; ZINC5462210; NSC-344505; NCI60_003060; (6aS)-2,3-Dimethoxy-8,9-(methylenedioxy)-6-methyl-6,6abeta-dihydro-5H-indeno[1,2-c]isoquinoline-5,11(11abetaH)-dione; 5H-[1,6]indeno[1,2-c]isoquinoline- 5,12(6H)-dione, 6a,12a-dihydro-2,3-dimethoxy- 6-methyl-, cis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	344505	.	.	.	.	367.4	C20H17NO6	74.3	640	1.9	27	0	6	2	"InChI=1S/C20H17NO6/c1-21-18-10-5-15-16(27-8-26-15)6-11(10)19(22)17(18)9-4-13(24-2)14(25-3)7-12(9)20(21)23/h4-7,17-18H,8H2,1-3H3/t17-,18-/m1/s1"	CN1[C@H]2[C@@H](C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C24)OCO5	XMGPGUJCNJAHRG-QZTJIDSGSA-N
DG52413	"15,17-Dimethoxytricyclo(11.3.1.1(5,9))octadeca-1(17),5,8,13,15-pentaene-7,18-dione"	335440	"NSC344832; 71461-29-5; 15,17-Dimethoxytricyclo(11.3.1.1(5,9))octadeca-1(17),5,8,13,15-pentaene-7,18-dione; NSC 344832; CHEMBL1965948; DTXSID00221677; ZINC1580033; NSC344677; NSC-344677; NSC-344832; 71413-12-2; NCI60_003063; 15,17-Dimethoxytricyclo[11.3.1.1~5,9~]octadeca-1(17),5,8,13,15-pentaene-7,18-dione; Tricyclo[11.3.1.1(5,5,8,13,15-pentaene- 7,18-dione, 15,17-dimethoxy-, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	344832	.	.	.	.	326.4	C20H22O4	52.6	518	3.6	24	0	4	2	"InChI=1S/C20H22O4/c1-23-18-11-15-7-3-5-13-9-17(21)10-14(19(13)22)6-4-8-16(12-18)20(15)24-2/h9-12H,3-8H2,1-2H3"	COC1=CC2=C(C(=C1)CCCC3=CC(=O)C=C(C3=O)CCC2)OC	VCEDWTLHLIZOJL-UHFFFAOYSA-N
DG52414	"9-[Amino-[bis(2-chloroethyl)amino]phosphoryl]oxyfuro[3,2-g]chromen-7-one"	335450	NSC345081; 88181-19-5; NCIMech_000338; CHEMBL335626; DTXSID80319400; NSC-345081; NCI60_003066	.	.	Investigative Drug(s)	Investigative	Small molecular drug	345081	.	.	.	.	405.2	C15H15Cl2N2O5P	95	572	1.9	25	1	7	7	"InChI=1S/C15H15Cl2N2O5P/c16-4-6-19(7-5-17)25(18,21)24-15-13-11(3-8-22-13)9-10-1-2-12(20)23-14(10)15/h1-3,8-9H,4-7H2,(H2,18,21)"	C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)OP(=O)(N)N(CCCl)CCCl	VTACKYDNMSOGFM-UHFFFAOYSA-N
DG52415	"Ethanesulfonic acid,3,2-oxaphosphorin-4-yl]thio]-, P-oxide, compd. with cyclohexamine (1:1)"	335628	"NSC-345842; CHEMBL1996600; NSC345842; NCI60_003076; Ethanesulfonic acid,3,2-oxaphosphorin-4-yl]thio]-, P-oxide, compd. with cyclohexamine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	345842	.	.	.	.	500.4	C15H32Cl2N3O5PS2	156	502	.	28	3	9	9	"InChI=1S/C9H19Cl2N2O5PS2.C6H13N/c10-2-4-13(5-3-11)19(14)12-9(1-6-18-19)20-7-8-21(15,16)17;7-6-4-2-1-3-5-6/h9H,1-8H2,(H,12,14)(H,15,16,17);6H,1-5,7H2"	C1CCC(CC1)N.C1COP(=O)(NC1SCCS(=O)(=O)O)N(CCCl)CCCl	AJOJXYODECALSX-UHFFFAOYSA-N
DG52416	"3-(4,5-Dimethylbenzo(h)-1,6-naphthyridin-2-yl)-2-methylquinolin-4-amine"	335629	"71993-16-3; UNII-0DQD9UP3KV; NSC345845; 0DQD9UP3KV; MLS000756887; 3-(4,5-Dimethylbenzo(h)-1,6-naphthyridin-2-yl)-2-methylquinolin-4-amine; 3-(4,5-Dimethylbenzo[h]-1,6-naphthyridin-2-yl)-2-methylquinolin-4-amine; NSC 345845; CHEMBL4296930; SCHEMBL15537517; DTXSID10222271; ZINC990239; 3-(4,5-dimethylbenzo[h][1,6]naphthyridin-2-yl)-2-methylquinolin-4-amine; NSC-345845; SMR000528979; 3-(4,5-Dimethylbenzo(H)-1,6-naphthyridin-2-yl)-2-methyl-4-quinolinamine; 3-(4,5-dimethylbenzo[h][1,6]naphthyridin-2-yl)-2-methyl-quinolin-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	345845	.	.	.	.	364.4	C24H20N4	64.7	553	4.9	28	1	4	1	"InChI=1S/C24H20N4/c1-13-12-20(22-15(3)27-18-10-6-4-8-16(18)23(22)25)28-24-17-9-5-7-11-19(17)26-14(2)21(13)24/h4-12H,1-3H3,(H2,25,27)"	CC1=CC(=NC2=C1C(=NC3=CC=CC=C32)C)C4=C(C5=CC=CC=C5N=C4C)N	HNAUTBFNKNNXKT-UHFFFAOYSA-N
DG52417	"9H-Purin-2-amine, 6-[(7-nitro-4-benzofurazanyl)thio]-9-D-ribofuranosyl-"	335945	"NSC348400; SCHEMBL300786; NSC-348400; 9H-Purin-2-amine, 6-[(7-nitro-4-benzofurazanyl)thio]-9-D-ribofuranosyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	348400	.	.	.	.	462.4	C16H14N8O7S	250	708	-0.4	32	4	14	4	"InChI=1S/C16H14N8O7S/c17-16-19-13-10(18-4-23(13)15-12(27)11(26)6(3-25)30-15)14(20-16)32-7-2-1-5(24(28)29)8-9(7)22-31-21-8/h1-2,4,6,11-12,15,25-27H,3H2,(H2,17,19,20)"	C1=C(C2=NON=C2C(=C1)SC3=NC(=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)N)[N+](=O)[O-]	KPNFSARMBBISMK-UHFFFAOYSA-N
DG52418	"Benzenesulfonamide, 4-[(9-acridinylmethyl)amino]-N-(aminoiminomethyl)-"	335981	"NSC348894; Neuro_000178; CHEMBL1986064; ZINC5594120; NSC-348894; NCI60_003098; 1-[4-(acridin-9-ylmethylamino)phenyl]sulfonylguanidine; 9-((4-(((Amino(imino)methyl)amino)sulfonyl)anilino)methyl)acridine; Benzenesulfonamide, {4-[(9-acridinylmethyl)amino]-N-(aminoiminomethyl)-}; Benzenesulfonamide, 4-[(9-acridinylmethyl)amino]-N-(aminoiminomethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	348894	.	.	.	.	405.5	C21H19N5O2S	132	658	3.1	29	3	5	5	"InChI=1S/C21H19N5O2S/c22-21(23)26-29(27,28)15-11-9-14(10-12-15)24-13-18-16-5-1-3-7-19(16)25-20-8-4-2-6-17(18)20/h1-12,24H,13H2,(H4,22,23,26)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N	RXMJKDVBBVPVDA-UHFFFAOYSA-N
DG52419	4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide	335987	"NSC348900; SCHEMBL282310; SCHEMBL282311; BDBM223477; NSC-348900; US9320734, 316"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	348900	.	.	.	.	497.9	C21H16ClN7O4S	155	916	3	34	1	10	6	"InChI=1S/C21H16ClN7O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18H,1H3,(H,23,24,28)"	CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C(=O)C4=CC=C(C=C4)Cl	HRJNALBHZAXUKU-UHFFFAOYSA-N
DG52420	"2-Nitroindolo[2,1-b]quinazoline-6,12-dione"	336271	"2-Nitroindolo[2,1-b]quinazoline-6,12-dione; NSC349856; 2-Nitro-indolo[2,1-b]quinazoline-6,12-dione; Oprea1_013112; Oprea1_358319; CHEMBL307362; SCHEMBL9113254; ZINC191002; STK091369; AKOS000486618; MCULE-5168502210; NSC-349856; NCI60_003117; SR-01000493583; SR-01000493583-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	349856	.	.	.	.	293.23	C15H7N3O4	95.6	582	1.9	22	0	5	0	InChI=1S/C15H7N3O4/c19-13-9-3-1-2-4-12(9)17-14(13)16-11-6-5-8(18(21)22)7-10(11)15(17)20/h1-7H	C1=CC=C2C(=C1)C(=O)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N23	UTXCTALMRHFUAD-UHFFFAOYSA-N
DG52421	"Ethyl 4-[2,3,4-tris(1-ethoxycarbonylpyridin-4-ylidene)cyclobutylidene]pyridine-1-carboxylate"	336310	"62415-93-4; NSC350013; CHEMBL1994144; DTXSID00319740; ZINC82195462; NSC-350013; ethyl 4-[2,3,4-tris(1-ethoxycarbonylpyridin-4-ylidene)cyclobutylidene]pyridine-1-carboxylate; tetrakis(N-carboethoxy-4h-pyridin-4-ylidene)cyclobutane; 4,4',4'',4'''-(Cyclobutane-1,2,3,4-tetraylidene)tetrakis(1,4-dihydropyridine-1-carboxylic acid ethyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	350013	.	.	.	.	652.7	C36H36N4O8	118	1430	2.6	48	0	8	8	"InChI=1S/C36H36N4O8/c1-5-45-33(41)37-17-9-25(10-18-37)29-30(26-11-19-38(20-12-26)34(42)46-6-2)32(28-15-23-40(24-16-28)36(44)48-8-4)31(29)27-13-21-39(22-14-27)35(43)47-7-3/h9-24H,5-8H2,1-4H3"	CCOC(=O)N1C=CC(=C2C(=C3C=CN(C=C3)C(=O)OCC)C(=C4C=CN(C=C4)C(=O)OCC)C2=C5C=CN(C=C5)C(=O)OCC)C=C1	RRFZNTZTIXTQNT-UHFFFAOYSA-N
DG52422	"7-Benzyl-10-(2-methylbenzyl)-2,3,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[4,3-d]pyrimidin-5(10H)-one"	336423	"41276-02-2; TIC 10; TIC-10; TIC10; TIC-10 Isomer; NSC350625; 7-Benzyl-10-(2-methylbenzyl)-2,3,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[4,3-d]pyrimidin-5(10H)-one; 41276-02-2 (TIC10 isomer); 2,6,7,8,9,10-Hexahydro-10-[(2-methylphenyl)methyl]-7-(phenylmethyl)-imidazo[1,2-a]pyrido[4,3-d]pyrimidin-5(3H)-one; 7-benzyl-10-(2-methylbenzyl)-2,6,7,8,9,10-hexahydroimidazo[1,2-a]pyrido[4,3-d]pyrimidin-5(3H)-one; ONC201 isomer; NCIStruc1_001799; NCIStruc2_001940; CHEMBL1488771; SCHEMBL13559495; DTXSID30319793; HMS3653M07; BCP20950; 2757AH; CCG-37418; MFCD25976764; NCGC00014802; NCI350625; s7127; ZINC31771664; AKOS027276446; CS-1738; NCGC00014802-02; NCGC00014802-05; NCGC00097903-01; AC-32687; AS-74671; HY-15615; NCI60_003126; FT-0698402; SW219835-1; A899672; 11-BENZYL-2-[(2-METHYLPHENYL)METHYL]-2,4,7,11-TETRAAZATRICYCLO[7.4.0.0(3), ]TRIDECA-1(9),3-DIEN-8-ONE; 11-Benzyl-2-[(2-methylphenyl)methyl]-2,4,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3-dien-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	350625	.	.	.	.	386.5	C24H26N4O	39.2	693	2.3	29	0	3	4	"InChI=1S/C24H26N4O/c1-18-7-5-6-10-20(18)16-28-22-11-13-26(15-19-8-3-2-4-9-19)17-21(22)23(29)27-14-12-25-24(27)28/h2-10H,11-17H2,1H3"	CC1=CC=CC=C1CN2C3=C(CN(CC3)CC4=CC=CC=C4)C(=O)N5C2=NCC5	RSAQARAFWMUYLL-UHFFFAOYSA-N
DG52423	"[3,4,5-Triacetoxy-6-[4-[2-(dimethylaminomethyl)prop-2-enoyl]phenoxy]tetrahydropyran-2-yl]methyl acetate"	336424	"NSC350629; MLS002702963; CHEMBL1715968; 2-Propen-1-one, tetraacetate ester; NSC-350629; NCI60_003127; SMR001566777; 4-(2-((Dimethylamino)methyl)acryloyl)phenyl 2,3,4,6-tetra-O-acetylhexopyranoside; [3,4,5-triacetoxy-6-[4-[2-(dimethylaminomethyl)prop-2-enoyl]phenoxy]tetrahydropyran-2-yl]methyl acetate; 2-Propen-1-one, 2-[(dimethylamino)methy]-1-(4- .beta.-D-glucopyranosyloxyphenyl)-, tetraacetate ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	350629	.	.	.	.	535.5	C26H33NO11	144	894	2.5	38	0	12	15	"InChI=1S/C26H33NO11/c1-14(12-27(6)7)22(32)19-8-10-20(11-9-19)37-26-25(36-18(5)31)24(35-17(4)30)23(34-16(3)29)21(38-26)13-33-15(2)28/h8-11,21,23-26H,1,12-13H2,2-7H3"	CC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)C(=O)C(=C)CN(C)C)OC(=O)C)OC(=O)C)OC(=O)C	CZQYJARXPRSTCI-UHFFFAOYSA-N
DG52424	Ehretinine	336435	"Ehretinine; 76231-29-3; UNII-P23Z82Y326; NSC350856; [(1R,7S,8R)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl] 4-methoxybenzoate; P23Z82Y326; NSC 350856; CHEMBL1987381; NSC-350856; Benzoic acid, 4-methoxy-, hexahydro-7-methyl-1H-pyrroliziN-1-yl ester, (1R-(1alpha,7alpha,7abeta))-; NCI60_003128; Q27286024"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	350856	.	.	.	.	275.34	C16H21NO3	38.8	352	3	20	0	4	4	"InChI=1S/C16H21NO3/c1-11-7-9-17-10-8-14(15(11)17)20-16(18)12-3-5-13(19-2)6-4-12/h3-6,11,14-15H,7-10H2,1-2H3/t11-,14+,15+/m0/s1"	C[C@H]1CCN2[C@H]1[C@@H](CC2)OC(=O)C3=CC=C(C=C3)OC	PIRUMYPCEYRZQG-NILFDRSVSA-N
DG52425	"4,3,5(2H)-trione,3a,4,8,8a-tetrahydro-2-phenyl-9-(phenylmethyl)-"	336482	"NSC351105; MLS002701841; benzyl(phenyl)[ ]trione; CHEMBL1884479; SCHEMBL21840124; NSC-351105; NCI60_003132; SMR001565433; 4,3,5(2H)-trione, 3a,4,8,8a-tetrahydro-2-phenyl-9-(phenylmethyl)-; 4,3,5(2H)-trione,3a,4,8,8a-tetrahydro-2-phenyl-9-(phenylmethyl)-; {4,8-Iminocyclohepta[c]pyrrole-1,3,5(2H)-trione,} 3a,4,8, 8a-tetrahydro-2-phenyl-9-(phenylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	351105	.	.	.	.	358.4	C22H18N2O3	57.7	675	2.1	27	0	4	3	"InChI=1S/C22H18N2O3/c25-17-12-11-16-18-19(20(17)23(16)13-14-7-3-1-4-8-14)22(27)24(21(18)26)15-9-5-2-6-10-15/h1-12,16,18-20H,13H2"	C1=CC=C(C=C1)CN2C3C=CC(=O)C2C4C3C(=O)N(C4=O)C5=CC=CC=C5	WKEXHQLBCFZJRL-UHFFFAOYSA-N
DG52426	"5-Phenyl-1,2,3,5-tetrahydroimidazo[2,1-b]quinazolin-5-ol"	336607	"NSC351520; 68210-55-9; 5-Phenyl-1,2,3,5-tetrahydroimidazo[2,1-b]quinazolin-5-ol; 5-Phenyl-1,2,3,5-tetrahydroimidazo(2,1-b)quinazolin-5-ol; NSC-351520; NSC 351520; CHEMBL1993581; NCI60_003140; 5-phenyl-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	351520	.	.	.	.	265.31	C16H15N3O	47.9	405	1.3	20	2	2	1	"InChI=1S/C16H15N3O/c20-16(12-6-2-1-3-7-12)13-8-4-5-9-14(13)18-15-17-10-11-19(15)16/h1-9,20H,10-11H2,(H,17,18)"	C1CN2C(=N1)NC3=CC=CC=C3C2(C4=CC=CC=C4)O	FBGWKMHLBSARIC-UHFFFAOYSA-N
DG52427	Trimetrexate glucuronic acid salt	336805	"Trimetrexate glucuronic acid salt; 82952-64-5; NSC-352122; Neuro_000185; CHEMBL2007423; NCI60_003150; 2, 5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]-,mono-D-glucuronate; D-Glucuronic acid,4,5-trimethoxyphenyl)amino]methyl]-2,4-quinazolinediamine (1:1); 5-Methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;2,3,4,5-tetrahydroxy-6-oxohexanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	352122	.	.	.	.	563.6	C25H33N5O10	253	648	.	40	8	15	11	"InChI=1S/C19H23N5O3.C6H10O7/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3;7-1-2(8)3(9)4(10)5(11)6(12)13/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24);1-5,8-11H,(H,12,13)"	CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.C(=O)C(C(C(C(C(=O)O)O)O)O)O	ZCJXQWYMBJYJNB-UHFFFAOYSA-N
DG52428	Bis(helenalinyl)glutarate	336831	"Bis(helenalinyl)glutarate; NSC352330; 77928-51-9; bis[(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] pentanedioate; Bis(helenalinyl) glutarate; Bis(4a,8-dimethyl-3-methylene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno(6,5-b)furan-4-yl) pentanedioate; Bis(4a,8-dimethyl-3-methylene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl) pentanedioate; NSC 352330; bis-Helenalinyl-glutarate; CHEMBL1169671; NSC-352330; NCI60_003153; 4alpha,4'alpha-[(1,5-Dioxopentane-1,5-diyl)dioxy]bis[(3aR)-3,3aalpha,4,4a,7aalpha,8,9,9aalpha-octahydro-4abeta,8alpha-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione]; bis[(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] pentanedioate; Pentanedioic acid, bis(2,3,3a,4,4a,5,7a,8,9,9a-decahydro-4a,8-dimethyl-3-methylene-2,5-dioxoazuleno(6,5-b)furan-4-yl) ester, (3aR-(3aalpha,4alpha3aR*,4S*,4aR*,7aR*,8R*,9aR*),4abeta,7aalpha,8alpha,9aalpha))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	352330	.	.	.	.	620.7	C35H40O10	139	1360	4	45	0	10	8	"InChI=1S/C35H40O10/c1-16-14-22-28(18(3)32(40)42-22)30(34(5)20(16)10-12-24(34)36)44-26(38)8-7-9-27(39)45-31-29-19(4)33(41)43-23(29)15-17(2)21-11-13-25(37)35(21,31)6/h10-13,16-17,20-23,28-31H,3-4,7-9,14-15H2,1-2,5-6H3/t16-,17-,20+,21+,22-,23-,28-,29-,30+,31+,34+,35+/m1/s1"	C[C@@H]1C[C@@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)CCCC(=O)O[C@H]4[C@H]5[C@@H](C[C@H]([C@H]6[C@]4(C(=O)C=C6)C)C)OC(=O)C5=C)C(=C)C(=O)O2	PCLGLSWYMVOCFV-VSUOEQHXSA-N
DG52429	"5-(Allyloxy)-6-(1-(4-methoxyphenyl)ethyl)-1,3-benzodioxole"	336858	"NSC352692; TimTec1_005003; Oprea1_859443; CHEMBL297297; HMS1548D09; NSC-352692; NCI60_003155; J-3230; 1, 5-[1-(4-methoxyphenyl)ethyl]-6-(2-propenyloxy)-; 5-allyloxy-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole; 5-(Allyloxy)-6-(1-(4-methoxyphenyl)ethyl)-1,3-benzodioxole; 5-(Allyloxy)-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole #; 5-[2-Propenyloxy]-6-[1-[4-methoxyphenyl]ethyl]-1,3-benzodioxol; 1,3-Benzodioxole, {5-[1-(4-methoxyphenyl)ethyl]-6-(2-propenyloxy)-}; 95385-60-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	352692	.	.	.	.	312.4	C19H20O4	36.9	378	4.6	23	0	4	6	"InChI=1S/C19H20O4/c1-4-9-21-17-11-19-18(22-12-23-19)10-16(17)13(2)14-5-7-15(20-3)8-6-14/h4-8,10-11,13H,1,9,12H2,2-3H3"	CC(C1=CC=C(C=C1)OC)C2=CC3=C(C=C2OCC=C)OCO3	IZTASLRRHYCALV-UHFFFAOYSA-N
DG52430	"2-[[6-[1-(3,4,5-Trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-yl]oxy]ethanol"	336892	"NSC352876; CHEMBL52289; SCHEMBL14535318; 2-[[6-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-yl]oxy]ethanol; NSC-352876; NCI60_003157; Ethanol,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-yl]oxy]-; Ethanol, 2-[[6-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-yl]oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	352876	.	.	.	.	376.4	C20H24O7	75.6	434	3.2	27	1	7	8	"InChI=1S/C20H24O7/c1-12(13-7-18(22-2)20(24-4)19(8-13)23-3)14-9-16-17(27-11-26-16)10-15(14)25-6-5-21/h7-10,12,21H,5-6,11H2,1-4H3"	CC(C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2OCCO)OCO3	KCQPASVCUVLGJW-UHFFFAOYSA-N
DG52431	2-[(4-Iodobenzoyl)amino]-3-(4-iodophenyl)propanoic acid	336952	NSC353281; CHEMBL1978165; NSC-353281; NCI60_003162	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353281	.	.	.	.	521.09	C16H13I2NO3	66.4	389	4.1	22	2	3	5	"InChI=1S/C16H13I2NO3/c17-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)11-3-7-13(18)8-4-11/h1-8,14H,9H2,(H,19,20)(H,21,22)"	C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC=C(C=C2)I)I	JWYVRTYEULJQBP-UHFFFAOYSA-N
DG52432	3-(4-Chlorophenyl)-2-[(4-iodobenzoyl)amino]propanoic acid	336957	NSC353286; CHEMBL1984440; NSC-353286; NCI60_003167	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353286	.	.	.	.	429.63	C16H13ClINO3	66.4	391	4.1	22	2	3	5	"InChI=1S/C16H13ClINO3/c17-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)11-3-7-13(18)8-4-11/h1-8,14H,9H2,(H,19,20)(H,21,22)"	C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC=C(C=C2)I)Cl	BLXXGFNMRNZIDG-UHFFFAOYSA-N
DG52433	"8H-(1,3)Oxazolo(3,4-a)perimidin-10-one"	337010	"NSC353492; 61636-21-3; MLS003171126; 8H-(1,3)Oxazolo(3,4-a)perimidin-10-one; 8H-[1,3]Oxazolo[3,4-a]perimidin-10-one; NSC 353492; UNII-NG9L9MU46W; NG9L9MU46W; CHEMBL1988447; DTXSID90210651; ZINC1582448; 8H-oxazolo[3,4-a]perimidin-10-one; NSC-353492; NCI60_003171; SMR001875034"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353492	.	.	.	.	224.21	C13H8N2O2	41.9	393	2.2	17	0	3	0	"InChI=1S/C13H8N2O2/c16-13-15-10-6-2-4-8-3-1-5-9(12(8)10)14-11(15)7-17-13/h1-6H,7H2"	C1C2=NC3=CC=CC4=C3C(=CC=C4)N2C(=O)O1	IWLBTKROGNSERQ-UHFFFAOYSA-N
DG52434	"5-(1-(4-Ethoxyphenyl)ethyl)-6-methoxy-1,3-benzodioxole"	337030	"NSC353648; 90632-70-5; 5-(1-(4-Ethoxyphenyl)ethyl)-6-methoxy-1,3-benzodioxole; 5-[1-(4-Ethoxyphenyl)ethyl]-6-methoxy-1,3-benzodioxole; 5-methoxy-6-(1-[4-ethoxyphenyl]ethyl)-1,3-benzodioxole; 5-Methoxy-6-[1-(4-ethoxyphenyl)ethyl]-1,3-benzodioxole; NSC 353648; CHEMBL52216; NSC-353648; NCI60_003176; 1, 5-[1-(4-ethoxyphenyl)ethyl]-6-methoxy-; 5-Methoxy-6-[1-[4-ethoxyphenyl]ethyl]-1,3-benzodioxol; 1,3-Benzodioxole, {5-[1-(4-ethoxyphenyl)ethyl]-6-methoxy-}; 1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)ethyl)-6-methoxy-; 5-[1-(4-Ethoxyphenyl)ethyl]-6-methoxy-1,3-benzodioxole #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353648	.	.	.	.	300.3	C18H20O4	36.9	340	4.3	22	0	4	5	"InChI=1S/C18H20O4/c1-4-20-14-7-5-13(6-8-14)12(2)15-9-17-18(22-11-21-17)10-16(15)19-3/h5-10,12H,4,11H2,1-3H3"	CCOC1=CC=C(C=C1)C(C)C2=CC3=C(C=C2OC)OCO3	HEPVVPUNSAKITO-UHFFFAOYSA-N
DG52435	"5-(2,2-Diacetylvinyl)-1,3-dimethyluracil"	337115	"NSC353882; 74442-98-1; CHEMBL1991997; DTXSID20320030; ZINC1582540; NSC-353882; NCI60_003178; 5-(2,2-Diacetylvinyl)-1,3-dimethyluracil"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353882	.	.	.	.	250.25	C12H14N2O4	74.8	486	-0.6	18	0	4	3	"InChI=1S/C12H14N2O4/c1-7(15)10(8(2)16)5-9-6-13(3)12(18)14(4)11(9)17/h5-6H,1-4H3"	CC(=O)C(=CC1=CN(C(=O)N(C1=O)C)C)C(=O)C	YHCFAKPDEBMDIZ-UHFFFAOYSA-N
DG52436	"Adenosine, 8-chloro-"	337175	"8-Cl-Ado; Adenosine, 8-chloro-; NSC-354258; 9-(b-D-Arabinofuranosyl)-8-chloroadenine; CHEMBL1333540; DTXSID50955955; (2R,3R,4S,5R)-2-(6-amino-8-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 769872-68-6; NSC354258; SB17113; NCGC00096095-01; NCI60_003182; 8-Chloro-9-pentofuranosyl-9H-purin-6-amine; FT-0641798"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	354258	.	.	.	.	301.69	C10H12ClN5O4	140	367	-0.1	20	4	8	2	"InChI=1S/C10H12ClN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)"	C1=NC(=C2C(=N1)N(C(=N2)Cl)C3C(C(C(O3)CO)O)O)N	MHDPPLULTMGBSI-UHFFFAOYSA-N
DG52437	"4,9,10-Triphenylpyridazino(3',4':3,4)pyrazolo(5,1-c)(1,2,4)triazine"	337393	"79441-92-2; NSC355170; UNII-9N2BLV59GJ; 9N2BLV59GJ; 4,9,10-Triphenylpyridazino(3',4':3,4)pyrazolo(5,1-c)(1,2,4)triazine; 4,9,10-Triphenylpyridazino[3',4':3,4]pyrazolo[5,1-c][1,2,4]triazine; NSC 355170; CHEMBL183337; DTXSID20229655; ZINC1582785; NSC-355170; NCI60_003199; 4,9,10-triphenylpyridazino[[ ]:[ ]]pyrazolo[[ ]][1,2,4]triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355170	.	.	.	.	400.4	C25H16N6	68.9	583	3.9	31	0	5	3	InChI=1S/C25H16N6/c1-4-10-17(11-5-1)20-16-26-29-25-22-21(18-12-6-2-7-13-18)23(19-14-8-3-9-15-19)27-28-24(22)30-31(20)25/h1-16H	C1=CC=C(C=C1)C2=CN=NC3=C4C(=C(N=NC4=NN23)C5=CC=CC=C5)C6=CC=CC=C6	KJPUGCZAQOOLMU-UHFFFAOYSA-N
DG52438	"4-(4-Methoxyphenyl)-8-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine"	337394	"79441-93-3; NSC355171; DTXSID10320120; ZINC1582786; NSC-355171; 4-(4-methoxyphenyl)-8-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355171	.	.	.	.	370.3	C19H13F3N4O	52.3	498	3.5	27	0	7	3	"InChI=1S/C19H13F3N4O/c1-27-15-7-5-12(6-8-15)17-11-23-25-18-16(10-24-26(17)18)13-3-2-4-14(9-13)19(20,21)22/h2-11H,1H3"	COC1=CC=C(C=C1)C2=CN=NC3=C(C=NN23)C4=CC(=CC=C4)C(F)(F)F	SBJCTTSCLDWRDY-UHFFFAOYSA-N
DG52439	1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one	337396	"86455-98-3; 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one; NSC355184; MLS002702888; 1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)xanthen-9-one; SMR001566706; 9H-Xanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]- 7-hydroxy-4-(hydroxymethyl)-; 1-{[2-(Dimethylamino)ethyl]amino}-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one; NSC 355184; CHEMBL416556; cid_337396; SCHEMBL11001878; BDBM94854; DTXSID70235564; ZINC5486798; 3546AC; MFCD22419378; 1-(2-dimethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)xanthen-9-one; AKOS016011447; DS-6248; NSC-355184; NCI60_003200; CS-0186205; C76812; A863180; 1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-methylol-xanthone; 1-[2-(dimethylamino)ethylamino]-4-(hydroxymethyl)-7-oxidanyl-xanthen-9-one; 1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)-9-xanthenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355184	.	.	.	.	328.4	C18H20N2O4	82	445	2.3	24	3	6	5	"InChI=1S/C18H20N2O4/c1-20(2)8-7-19-14-5-3-11(10-21)18-16(14)17(23)13-9-12(22)4-6-15(13)24-18/h3-6,9,19,21-22H,7-8,10H2,1-2H3"	CN(C)CCNC1=C2C(=C(C=C1)CO)OC3=C(C2=O)C=C(C=C3)O	BOTXZPXSICDQHE-UHFFFAOYSA-N
DG52440	"Carbamic acid, [5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) ester"	337614	"NSC356244; ZINC1582991; NSC-356244; Carbamic acid, [5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	356244	.	.	.	.	448	C23H30ClN3O4	81.6	610	3.9	31	2	4	9	"InChI=1S/C23H30ClN3O4/c1-14(2)25-22(28)30-12-18-19(13-31-23(29)26-15(3)4)21(27-11-5-6-20(18)27)16-7-9-17(24)10-8-16/h7-10,14-15H,5-6,11-13H2,1-4H3,(H,25,28)(H,26,29)"	CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC=C(C=C3)Cl	LWBRTXHWARELLI-UHFFFAOYSA-N
DG52441	NSC357088	337799	"[(3R,4aR,5R,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate; NSC357088; 64657-11-0; NSC-357088; SCHEMBL4917705; CHEMBL1990053; NCI60_003231"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357088	.	.	.	.	410.5	C22H34O7	113	747	1	29	3	7	3	"InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17+,19-,20-,21+,22-/m0/s1"	CC(=O)O[C@@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O	OHCQJHSOBUTRHG-WWVGWVLGSA-N
DG52442	Buellolide	337850	BUELLOLIDE; NSC357680; 69799-33-3; CHEMBL1993592; DTXSID20320313; NSC-357680; NCI60_003238	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357680	.	.	.	.	433.7	C18H15Cl3O6	63.2	537	5	27	0	6	5	"InChI=1S/C18H15Cl3O6/c1-7-12(19)16(24-3)14(21)17(25-4)15(7)27-9-5-10(23-2)13(20)8-6-26-18(22)11(8)9/h5H,6H2,1-4H3"	CC1=C(C(=C(C(=C1Cl)OC)Cl)OC)OC2=CC(=C(C3=C2C(=O)OC3)Cl)OC	OXWGVBMJMQGGEG-UHFFFAOYSA-N
DG52443	NSC357703	337853	"6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-N,N-dibenzyl-3-hydroxy-2-methyloxan-4-amine oxide; NSC357703; CHEMBL1980232; NSC-357703; NCI60_003239; 5, 8-acetyl-10-[[3-[bis(phenylmethyl)amino]-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, N-oxide, (8S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357703	.	.	.	.	723.8	C41H41NO11	178	1310	5.8	53	4	11	9	"InChI=1S/C41H41NO11/c1-22-36(44)28(42(50,20-24-11-6-4-7-12-24)21-25-13-8-5-9-14-25)17-31(52-22)53-30-19-41(49,23(2)43)18-27-33(30)40(48)35-34(38(27)46)37(45)26-15-10-16-29(51-3)32(26)39(35)47/h4-16,22,28,30-31,36,44,46,48-49H,17-21H2,1-3H3/t22 ,28 ,30-,31 ,36 ,41-/m0/s1"	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)[N+](CC6=CC=CC=C6)(CC7=CC=CC=C7)[O-])O	YYEDQXYOGYFXSQ-HUQCEHJHSA-N
DG52444	"16,17-Dimethoxy-5,7-dioxa-13-azapentacyclo[12.7.0.02,10.04,8.015,20]henicosa-1(14),2,4(8),9,15(20),16,18-heptaen-21-one"	337866	NSC357757; 81816-05-9; CHEMBL1966315; DTXSID00320316; ZINC5518856; NSC-357757; NCI60_003242	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357757	.	.	.	.	351.4	C20H17NO5	66	619	3.1	26	1	6	2	"InChI=1S/C20H17NO5/c1-23-13-4-3-11-17(20(13)24-2)18-16(19(11)22)12-8-15-14(25-9-26-15)7-10(12)5-6-21-18/h3-4,7-8,21H,5-6,9H2,1-2H3"	COC1=C(C2=C(C=C1)C(=O)C3=C2NCCC4=CC5=C(C=C43)OCO5)OC	MKHRAWDXJGOQHG-UHFFFAOYSA-N
DG52445	"2-Ethyl-1,2-benzoisothiazole-3(2H)-one"	337889	"CHEMBL1996492; 4299-06-3; NSC357895; SCHEMBL3143600; DTXSID90320320; ZINC1584136; BDBM50435393; NSC-357895; NCI60_003247; 2-Ethyl-1,2-benzoisothiazole-3(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357895	.	.	.	.	179.24	C9H9NOS	45.6	195	1.8	12	0	2	1	"InChI=1S/C9H9NOS/c1-2-10-9(11)7-5-3-4-6-8(7)12-10/h3-6H,2H2,1H3"	CCN1C(=O)C2=CC=CC=C2S1	RTMDCQYUXWCPQG-UHFFFAOYSA-N
DG52446	"(S)-N-(5,7,9-Tetrahydro-1,2,3-trimethoxy-1-(methylthio)-9-oxobenzo[A]heptalen-7-YL)beutanamide"	337948	"NSC358257; CHEMBL448425; NSC-358257; NCI60_003249; (S)-N-(5,7,9-TETRAHYDRO-1,2,3-TRIMETHOXY-1-(METHYLTHIO)-9-OXOBENZO[A]HEPTALEN-7-YL)BEUTANAMIDE; Butanamide,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	358257	.	.	.	.	443.6	C24H29NO5S	99.2	774	2.6	31	1	6	7	"InChI=1S/C24H29NO5S/c1-6-7-21(27)25-17-10-8-14-12-19(28-2)23(29-3)24(30-4)22(14)15-9-11-20(31-5)18(26)13-16(15)17/h9,11-13,17H,6-8,10H2,1-5H3,(H,25,27)/t17-/m0/s1"	CCCC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC	ZEBQELDBCIBMMZ-KRWDZBQOSA-N
DG52447	"3,3,5-Trichloro-1-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)pyridine-2,6-dione"	337974	NSC358304; CHEMBL1967831; ZINC1584232; NSC-358304	.	.	Investigative Drug(s)	Investigative	Small molecular drug	358304	.	.	.	.	456.7	C20H16Cl3NO5	65.099	675	4.4	29	0	5	5	"InChI=1S/C20H16Cl3NO5/c1-27-12-6-4-11(5-7-12)16-17(21)18(25)24(19(26)20(16,22)23)14-9-8-13(28-2)10-15(14)29-3/h4-10H,1-3H3"	COC1=CC=C(C=C1)C2=C(C(=O)N(C(=O)C2(Cl)Cl)C3=C(C=C(C=C3)OC)OC)Cl	HDXYUNYCAUPKNJ-UHFFFAOYSA-N
DG52448	"5H-Benzo[a]carbazole, 6,6a-dihydro-6a-methyl-"	338174	"26490-83-5; NSC359416; 5H-Benzo[a]carbazole, 6,6a-dihydro-6a-methyl-; CHEMBL1996205; DTXSID90320441; NSC-359416"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	359416	.	.	.	.	233.31	C17H15N	12.4	372	3.8	18	0	1	0	"InChI=1S/C17H15N/c1-17-11-10-12-6-2-3-7-13(12)16(17)18-15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3"	CC12CCC3=CC=CC=C3C1=NC4=CC=CC=C24	WFIZSUJJRAIXMS-UHFFFAOYSA-N
DG52449	"5-Amino-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[4,5-d][1,3]oxazin-7-one"	338182	"NSC359452; 80394-72-5; CHEMBL1969011; DTXSID501001212; NSC-359452; NCI60_003262; 5-Imino-3-pentofuranosyl-4,5-dihydroimidazo[4,5-d][1,3]oxazin-7(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	359452	.	.	.	.	284.23	C10H12N4O6	152	446	-1.3	20	4	8	2	"InChI=1S/C10H12N4O6/c11-10-13-7-4(9(18)20-10)12-2-14(7)8-6(17)5(16)3(1-15)19-8/h2-3,5-6,8,15-17H,1H2,(H2,11,13)"	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(OC2=O)N	PWVUOVPUCZNICU-UHFFFAOYSA-N
DG52450	6-Formylphenoxathiine-4-carboxylic acid	338202	NSC359565; CHEMBL1972137; NSC-359565; NCI60_003269	.	.	Investigative Drug(s)	Investigative	Small molecular drug	359565	.	.	.	.	272.28	C14H8O4S	88.9	373	2.6	19	1	5	2	"InChI=1S/C14H8O4S/c15-7-8-3-1-5-10-12(8)18-13-9(14(16)17)4-2-6-11(13)19-10/h1-7H,(H,16,17)"	C1=CC(=C2C(=C1)SC3=CC=CC(=C3O2)C(=O)O)C=O	XBUGQKGMWIEKPS-UHFFFAOYSA-N
DG52451	N-(6-Amino-2-oxo-2H-chromen-3-yl)acetamide	338232	97126-20-0; NSC359701; N-(6-Amino-2-oxo-2H-chromen-3-yl)acetamide; 3-Acetamido-6-aminochromen-2-one; N-(6-amino-2-oxochromen-3-yl)acetamide; Maybridge3_000341; 3-acetamido-6-aminocoumarin; Oprea1_709354; N-(6-amino-2-oxo-2H-1-benzopyran-3-yl)Acetamide; SCHEMBL3283803; CHEMBL1977697; DTXSID80320455; HMS1431P11; ZINC150876; AKOS030564348; CCG-234611; MCULE-9326747098; NSC-359701; IDI1_011728; DA-00090; NCI60_003271; N-(6-amino-2-oxo-chromen-3-yl)acetamide; FT-0755720	.	.	Investigative Drug(s)	Investigative	Small molecular drug	359701	.	.	.	.	218.21	C11H10N2O3	81.4	351	0.6	16	2	4	1	"InChI=1S/C11H10N2O3/c1-6(14)13-9-5-7-4-8(12)2-3-10(7)16-11(9)15/h2-5H,12H2,1H3,(H,13,14)"	CC(=O)NC1=CC2=C(C=CC(=C2)N)OC1=O	LZDJQRLPKGUGHL-UHFFFAOYSA-N
DG52452	Haginin A	338286	"HAGININ A; 74174-29-1; 3-(4-hydroxy-2,3-dimethoxyphenyl)-2H-chromen-7-ol; NSC360042; 7,4'-Dihydroxy-2',3'-dimethoxyisoflavene; SCHEMBL571483; CHEMBL1989020; DTXSID40320471; CHEBI:185662; LMPK12080067; NSC-360042; NCI60_003278"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	360042	.	.	.	.	300.3	C17H16O5	68.2	410	2.7	22	2	5	3	"InChI=1S/C17H16O5/c1-20-16-13(5-6-14(19)17(16)21-2)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-8,18-19H,9H2,1-2H3"	COC1=C(C=CC(=C1OC)O)C2=CC3=C(C=C(C=C3)O)OC2	JGINXZCTOGQYKS-UHFFFAOYSA-N
DG52453	Zuihonin A	338287	ZUIHONIN A; CHEMBL1980140; NSC360072; Zuonin A; (+)-zuonin A; BDBM50392854; NSC-360072; NCI60_003279; 79120-58-4	.	.	Investigative Drug(s)	Investigative	Small molecular drug	360072	.	.	.	.	340.4	C20H20O5	46.2	443	4.1	25	0	5	2	"InChI=1S/C20H20O5/c1-11-12(2)20(14-4-6-16-18(8-14)24-10-22-16)25-19(11)13-3-5-15-17(7-13)23-9-21-15/h3-8,11-12,19-20H,9-10H2,1-2H3/t11-,12+,19-,20-/m1/s1"	C[C@@H]1[C@@H]([C@@H](O[C@H]1C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5)C	QFUXQRHAJWXPGP-BINDOVRGSA-N
DG52454	"N-(1-methyl-4-oxo-2,6-diphenylpiperidin-3-yl)acetamide"	338325	NSC360219; CHEMBL2006321; NSC-360219; NCI60_003282	.	.	Investigative Drug(s)	Investigative	Small molecular drug	360219	.	.	.	.	322.4	C20H22N2O2	49.4	453	2.2	24	1	3	3	"InChI=1S/C20H22N2O2/c1-14(23)21-19-18(24)13-17(15-9-5-3-6-10-15)22(2)20(19)16-11-7-4-8-12-16/h3-12,17,19-20H,13H2,1-2H3,(H,21,23)"	CC(=O)NC1C(N(C(CC1=O)C2=CC=CC=C2)C)C3=CC=CC=C3	JDYAEPOVCTZWTD-UHFFFAOYSA-N
DG52455	"N-benzyloxy-1-methyl-2,6-diphenyl-piperidin-4-imine"	338334	"NSC360239; CHEMBL1978035; NSC-360239; NCI60_003285; 1-methyl-2,6-diphenylpiperidin-4-one-O-benzyloxime; N-benzyloxy-1-methyl-2,6-diphenyl-piperidin-4-imine; Piperidin-4-one,6-diphenyl-1-methyl-, O-(phenylmethoxy)oxime, cis-; Piperidine,6-diphenyl-1-methyl-4-[(phenylmethoxy)imino]-, cis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	360239	.	.	.	.	370.5	C25H26N2O	24.8	457	4.9	28	0	3	5	"InChI=1S/C25H26N2O/c1-27-24(21-13-7-3-8-14-21)17-23(18-25(27)22-15-9-4-10-16-22)26-28-19-20-11-5-2-6-12-20/h2-16,24-25H,17-19H2,1H3"	CN1C(CC(=NOCC2=CC=CC=C2)CC1C3=CC=CC=C3)C4=CC=CC=C4	VUCFRUBUXMGNIA-UHFFFAOYSA-N
DG52456	"1-(4-chlorophenyl)-4,9-dioxo-4,9-dihydro-1H-benzo[f]indazole-3-carboxylic acid"	338385	"NSC360494; NSC-360494; 79712-61-1; NCIStruc1_001741; NCIStruc2_001955; CHEMBL1478627; DTXSID70320505; ZINC1584712; CCG-36981; NCGC00014822; NCI360494; NCGC00014822-02; NCGC00097923-01; NCI60_003287; 1-(4-chlorophenyl)-4,9-dioxo-4,9-dihydro-1H-benzo[f]indazole-3-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	360494	.	.	.	.	352.7	C18H9ClN2O4	89.3	590	3.7	25	1	5	2	"InChI=1S/C18H9ClN2O4/c19-9-5-7-10(8-6-9)21-15-13(14(20-21)18(24)25)16(22)11-3-1-2-4-12(11)17(15)23/h1-8H,(H,24,25)"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N(N=C3C(=O)O)C4=CC=C(C=C4)Cl	LUFJOPHUENGNNB-UHFFFAOYSA-N
DG52457	"[2-[2,5-Bis(aziridin-1-yl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-methoxyethyl] 4-formylpiperazine-1-carboxylate"	338440	"91706-55-7; NSC360702; CHEMBL1990721; DTXSID20320535; NSC-360702; [2-[2,5-bis(aziridin-1-yl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-methoxyethyl] 4-formylpiperazine-1-carboxylate; NCI60_003289; 1-Piperazinecarboxylic acid, 2-[2,5-bis(1-aziridinyl)-4-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl]-2-methoxyethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	360702	.	.	.	.	418.4	C20H26N4O6	99.2	834	-0.3	30	0	8	7	"InChI=1S/C20H26N4O6/c1-13-16(22-7-8-22)19(27)15(17(18(13)26)23-9-10-23)14(29-2)11-30-20(28)24-5-3-21(12-25)4-6-24/h12,14H,3-11H2,1-2H3"	CC1=C(C(=O)C(=C(C1=O)N2CC2)C(COC(=O)N3CCN(CC3)C=O)OC)N4CC4	OPZPXFXYAFEBOV-UHFFFAOYSA-N
DG52458	Methyl ciliarate	338441	"NSC360853; Ciliaric acid methyl ester; Methyl ciliarate; CHEMBL1980350; CILIARIC ACID, METHYL ESTER; NSC-360853; NCI60_003290"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	360853	.	.	.	.	316.5	C21H32O2	26.3	584	5.9	23	0	2	2	"InChI=1S/C21H32O2/c1-18-7-5-8-19(2,17(22)23-4)15(18)6-9-21-11-14-13(10-16(18)21)20(14,3)12-21/h13-16H,5-12H2,1-4H3/t13-,14-,15+,16+,18-,19-,20+,21+/m1/s1"	C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2C[C@@H]5[C@@H](C3)[C@]5(C4)C)(C)C(=O)OC	DBYBRADCKQFKPC-GRPNHFIBSA-N
DG52459	"3-methyl-2-(3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole"	338452	"MLS003171179; 30697-09-7; NSC361054; CHEMBL3183523; SCHEMBL11871194; DTXSID30320541; NSC-361054; SMR001875086; 2,3-Dihydro-3,3'-dimethyl-2,2'-bi[1H-indole]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361054	.	.	.	.	262.3	C18H18N2	27.8	355	4.3	20	2	1	1	"InChI=1S/C18H18N2/c1-11-13-7-3-5-9-15(13)19-17(11)18-12(2)14-8-4-6-10-16(14)20-18/h3-11,17,19-20H,1-2H3"	CC1C(NC2=CC=CC=C12)C3=C(C4=CC=CC=C4N3)C	NQDOZQYNMBJQMG-UHFFFAOYSA-N
DG52460	"N-[6-[(3,4-dichlorophenyl)sulfonylamino]-2-oxo-chromen-3-yl]acetamide"	338565	"NSC361667; Oprea1_546045; CHEMBL1966932; ZINC1040715; MCULE-9218138050; NSC-361667; NCI60_003299; N-[6-[(3,4-dichlorophenyl)sulfonylamino]-2-oxo-chromen-3-yl]acetamide; N-(6-(((3,4-Dichlorophenyl)sulfonyl)amino)-2-oxo-2H-chromen-3-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361667	.	.	.	.	427.3	C17H12Cl2N2O5S	110	736	3.1	27	2	6	4	"InChI=1S/C17H12Cl2N2O5S/c1-9(22)20-15-7-10-6-11(2-5-16(10)26-17(15)23)21-27(24,25)12-3-4-13(18)14(19)8-12/h2-8,21H,1H3,(H,20,22)"	CC(=O)NC1=CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl)OC1=O	JEDUWQLGKBWCIG-UHFFFAOYSA-N
DG52461	"N-[6-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-oxo-chromen-3-yl]acetamide"	338566	"NSC361668; CHEMBL366481; ZINC1040716; BDBM50056831; NSC-361668; NCI60_003300; N-[6-({[3,5-Bis(trifluoromethyl)phenyl]sulfonyl}amino)-2-oxo-2H-chromen-3-yl]acetamide; N-[6-(3,5-Bis-trifluoromethyl-benzenesulfonylamino)-2-oxo-2H-chromen-3-yl]-acetamide; N-[6-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-oxo-chromen-3-yl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361668	.	.	.	.	494.4	C19H12F6N2O5S	110	889	3.6	33	2	12	4	"InChI=1S/C19H12F6N2O5S/c1-9(28)26-15-5-10-4-13(2-3-16(10)32-17(15)29)27-33(30,31)14-7-11(18(20,21)22)6-12(8-14)19(23,24)25/h2-8,27H,1H3,(H,26,28)"	CC(=O)NC1=CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC1=O	UHCCOXMYSYMFIY-UHFFFAOYSA-N
DG52462	"Chromeno(3,4-b)(1,4)benzothiazin-6(12H)-one"	338569	"75908-14-4; Chromeno(3,4-b)(1,4)benzothiazin-6(12H)-one; 12H-chromeno[3,4-b][1,4]benzothiazin-6-one; NSC361671; UNII-4HO2NF1XS3; 4HO2NF1XS3; Chromeno[3,4-b][1,4]benzothiazin-6(12H)-one; NSC 361671; Oprea1_529309; CHEMBL1977795; 6,12-Dihydrobenzo[b]chromeno[4,3-E][1,4]thiazin-6-one; DTXSID00226829; HMS1666G15; ZINC171741; CCG-54872; MCULE-3111856468; NSC-361671; NCI60_003301; Chromeno[3,4-b][1,4]benzothiazin-6(12H)-one #; SR-01000643935-1; BRD-K25113826-001-01-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361671	.	.	.	.	267.3	C15H9NO2S	63.6	434	3.5	19	1	4	0	"InChI=1S/C15H9NO2S/c17-15-14-13(9-5-1-3-7-11(9)18-15)16-10-6-2-4-8-12(10)19-14/h1-8,16H"	C1=CC=C2C(=C1)C3=C(C(=O)O2)SC4=CC=CC=C4N3	BUPPVTUKPWAYCH-UHFFFAOYSA-N
DG52463	"6-Nitrobenzo[g]quinoxaline-5,10-dione"	338711	"72225-23-1; 6-nitrobenzo[g]quinoxaline-5,10-dione; NSC362342; CHEMBL2006359; SCHEMBL11409834; DTXSID10320625; ZINC1585074; NSC-362342; 6-nitro-benzo[g]quinoxaline-5,10-dione; NCI60_003310"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	362342	.	.	.	.	255.19	C12H5N3O4	106	433	1.2	19	0	6	0	InChI=1S/C12H5N3O4/c16-11-6-2-1-3-7(15(18)19)8(6)12(17)10-9(11)13-4-5-14-10/h1-5H	C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=NC=CN=C3C2=O	NXVAFOXTJCRFRX-UHFFFAOYSA-N
DG52464	"5-(Hydroxy(oxido)amino)-3,4-diphenyl-2-furamide"	338739	"5-(Hydroxy(oxido)amino)-3,4-diphenyl-2-furamide; NSC362637; 77719-94-9; NSC 362637; CHEMBL2001766; DTXSID40228347; ZINC1585114; NSC-362637; 5-nitro-3,4-diphenyl-furan-2-carboxamide; DS-005603"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	362637	.	.	.	.	308.29	C17H12N2O4	102	438	3.6	23	1	4	3	"InChI=1S/C17H12N2O4/c18-16(20)15-13(11-7-3-1-4-8-11)14(17(23-15)19(21)22)12-9-5-2-6-10-12/h1-10H,(H2,18,20)"	C1=CC=C(C=C1)C2=C(OC(=C2C3=CC=CC=C3)[N+](=O)[O-])C(=O)N	DJBRPVCAYZZUSS-UHFFFAOYSA-N
DG52465	"2-(2-(3,5-Dihydroxy-1,2,4-triazin-6-yl)phenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid"	338741	"NSC362639; 72177-30-1; DYO2ULQ3CL; UNII-DYO2ULQ3CL; MLS000756908; 2-(2-(3,5-Dihydroxy-1,2,4-triazin-6-yl)phenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid; NSC-362639; NSC 362639; NCIStruc1_001877; NCIStruc2_001972; CHEMBL1333823; DTXSID70222510; HMS2886O11; ZINC8830787; CCG-37044; NCGC00014827; NCI362639; NCGC00014827-02; NCGC00097928-01; 1,2,4-Triazine-6-carboxylicacid,2,3,4,5-tetrahydro-3,5-dioxo-2-[2-(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)phenyl]-; NCI60_003313; SMR000528988; DS-008194; 2-[2-(3,5-dihydroxy-1,2,4-triazin-6-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	362639	.	.	.	.	344.24	C13H8N6O6	170	743	0.1	25	4	8	3	"InChI=1S/C13H8N6O6/c20-9-7(16-17-12(24)14-9)5-3-1-2-4-6(5)19-13(25)15-10(21)8(18-19)11(22)23/h1-4H,(H,22,23)(H,15,21,25)(H2,14,17,20,24)"	C1=CC=C(C(=C1)C2=NNC(=O)NC2=O)N3C(=O)NC(=O)C(=N3)C(=O)O	IXKGNNQTJQVGKK-UHFFFAOYSA-N
DG52466	"Dichloro(diphenyl)stannane; 1,4,7,10,13,16-hexaoxacyclooctadecane"	338856	"NSC363143; dichloro(diphenyl)stannane; 1,4,7,10,13,16-hexaoxacyclooctadecane; NSC-363143; 1,4,7,10,13,16-Hexaoxacyclooctadecane compound with dichloro(diphenyl)stannane (1:1); NCI60_003322; Stannane, dichlorodiphenyl-, compd. with 1,4,7,10,13, 16-hexaoxacyclooctadecane (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	363143	.	.	.	.	608.1	C24H34Cl2O6Sn	55.4	282	.	33	0	6	2	InChI=1S/C12H24O6.2C6H5.2ClH.Sn/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;2*1-2-4-6-5-3-1;;;/h1-12H2;2*1-5H;2*1H;/q;;;;;+2/p-2	C1COCCOCCOCCOCCOCCO1.C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(Cl)Cl	OOPVFLFMNVTDQX-UHFFFAOYSA-L
DG52467	Veprisine	338941	VEPRISINE; NSC363785; 76525-26-3; CHEMBL21801; DTXSID00320710; ZINC1585373; NSC-363785; NCI60_003332	.	.	Investigative Drug(s)	Investigative	Small molecular drug	363785	.	.	.	.	301.34	C17H19NO4	48	537	2.1	22	0	4	2	"InChI=1S/C17H19NO4/c1-17(2)9-8-11-14(22-17)10-6-7-12(20-4)15(21-5)13(10)18(3)16(11)19/h6-9H,1-5H3"	CC1(C=CC2=C(O1)C3=C(C(=C(C=C3)OC)OC)N(C2=O)C)C	DWZSQRJGZJNUEK-UHFFFAOYSA-N
DG52468	Bulleyanin	338942	"Bulleyanin; [(1S,2R,4S,6R,10R,11S)-6,8,11-triacetyloxy-12-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate; Rabdosia bulleyana, kauranoid terpene isolated from; NSC363787; NSC-363787; NCI60_003333; Kaur-16-en-15-one,3,7,11-tetrakis(acetyloxy)-12-hydroxy-, (1.alpha.,3.beta.,7.beta.,11.beta.,12.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	363787	.	.	.	.	534.6	C28H38O10	143	1090	2.2	38	1	10	8	"InChI=1S/C28H38O10/c1-12-17-11-28(25(12)34)21(37-15(4)31)9-18-26(6,7)19(35-13(2)29)10-20(36-14(3)30)27(18,8)24(28)23(22(17)33)38-16(5)32/h17-24,33H,1,9-11H2,2-8H3/t17 ,18-,19+,20 ,21+,22 ,23+,24+,27 ,28+/m0/s1"	CC(=O)O[C@@H]1C[C@H]2C([C@@H](CC(C2([C@@H]3[C@@]14CC(C([C@H]3OC(=O)C)O)C(=C)C4=O)C)OC(=O)C)OC(=O)C)(C)C	UHAGZLPOLNCLEQ-IOEDPWSVSA-N
DG52469	"1-(1,2-Dimethyl-1H-pyrrolo(3,2-c)cinnolin-3-yl)ethanone"	339250	"82157-88-8; UNII-IH1L3XQE7W; NSC365081; IH1L3XQE7W; 1-(1,2-dimethylpyrrolo[3,2-c]cinnolin-3-yl)ethanone; 1-(1,2-Dimethyl-1H-pyrrolo(3,2-c)cinnolin-3-yl)ethanone; 1-(1,2-Dimethyl-1H-pyrrolo[3,2-c]cinnolin-3-yl)ethanone; NSC 365081; CHEMBL1968849; DTXSID40231598; ZINC1585743; NSC-365081; NCI60_003360"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	365081	.	.	.	.	239.27	C14H13N3O	47.8	346	1.4	18	0	3	1	"InChI=1S/C14H13N3O/c1-8-12(9(2)18)13-14(17(8)3)10-6-4-5-7-11(10)15-16-13/h4-7H,1-3H3"	CC1=C(C2=C(N1C)C3=CC=CC=C3N=N2)C(=O)C	LMLWGKUBBGQXPP-UHFFFAOYSA-N
DG52470	"2-(1,5-Dimethyl-4-hexenyl)-3-hydroxy-5-methylbenzo-1,4-quinone"	339385	"13120-66-6; NSC365793; 2-(1,5-Dimethyl-4-hexenyl)-3-hydroxy-5-methylbenzo-1,4-quinone; Perezon; NSC 365793; SCHEMBL3609799; CHEMBL1991715; NSC-365793; 2,5-Cyclohexadiene-1,4-dione,2-(1,5-dimethyl-4-hexen-1-yl)-3-hydroxy-5-methyl-; NCI60_003367; DS-003668; 2-(1,5-Dimethyl-4-hexenyl)-3-hydroxy-5-methyl-1,4-benzoquinone; 2-(1,5-dimethylhex-4-enyl)-3-hydroxy-5-methyl-1,4-benzoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	365793	.	.	.	.	248.32	C15H20O3	54.4	460	3.4	18	1	3	4	"InChI=1S/C15H20O3/c1-9(2)6-5-7-10(3)13-12(16)8-11(4)14(17)15(13)18/h6,8,10,18H,5,7H2,1-4H3"	CC1=CC(=O)C(=C(C1=O)O)C(C)CCC=C(C)C	JZXORCGMYQZBBQ-UHFFFAOYSA-N
DG52471	N-Benzoyldeacetylthiocolchicine	339411	"N-Benzoyldeacetylthiocolchicine; MLS002702891; NSC366078; Colchicine, N-benzoyl-N-deacetyl-10-thio-; Benzamide, N-(5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(a)heptalen-7-yl)-, (S)-; CHEMBL1726521; Thiocolchicine, N-benzoyl-N-deacetyl-; NSC-366078; N-(1,2,3-Trimethoxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)benzamide; N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide; NCI60_003370; SMR001566709; Benzamide, {N-[5,6,7,9-tetrahydro-1,2,} {3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-,} (S)-; Benzamide, {N[5,6,7,9-tetrahydro-1,2,} {3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-,} (S)-; Benzamide,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)-; N-[1,2,3-Trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]benzamide #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	366078	.	.	.	.	477.6	C27H27NO5S	99.2	859	3.4	34	1	6	6	"InChI=1S/C27H27NO5S/c1-31-22-14-17-10-12-20(28-27(30)16-8-6-5-7-9-16)19-15-21(29)23(34-4)13-11-18(19)24(17)26(33-3)25(22)32-2/h5-9,11,13-15,20H,10,12H2,1-4H3,(H,28,30)"	COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=CC=C4)OC)OC	AHNUEGAJJOXHHL-UHFFFAOYSA-N
DG52472	Pyrazoloacridine mesylate	339454	"pyrazoloacridine mesylate; UNII-F152KXF5MA; 99009-21-9; F152KXF5MA; NSC366140; methanesulfonic acid;3-(4-methoxy-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)-N,N-dimethylpropan-1-amine; 2-(3-(Dimethylamino)propyl)-5-(hydroxy(oxido)amino)-9-methoxy-2,6-dihydropyrazolo(3,4,5-kl)acridine methanesulfonate; 2-(3-(Dimethylamino)propyl)-5-(hydroxy(oxido)amino)-9-methoxy-2,6-dihydropyrazolo[3,4,5-kl]acridine methanesulfonate; CHEMBL141769; DTXSID80912899; Q27277499; methanesulfonic acid; 3-[methoxy(nitro)[ ]yl]-N,N-dimethyl-propan-1-amine; {Pyrazolo[3,4,5-kl]acridine-2(6H)-propanamine,} 9-methoxy-N, N-dimethyl-5-nitro-, monomethanesulfonate; Methanesulfonic acid--3-(9-methoxy-5-nitropyrazolo[3,4,5-kl]acridin-2(6H)-yl)-N,N-dimethylpropan-1-amine (1/1); Pyrazolo[3,4,5-kl]acridine-2(6H)-propanamine, 9-methoxy-N, N-dimethyl-5-nitro-, monomethanesulfonate; Pyrazolo[3,5-kl]acridine-2(6H)-propanamine, 9-methoxy-N,N-dimethyl-5-nitro-, monomethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	366140	.	.	.	.	463.5	C20H25N5O6S	151	635	.	32	2	9	5	"InChI=1S/C19H21N5O3.CH4O3S/c1-22(2)9-4-10-23-15-7-8-16(24(25)26)19-17(15)18(21-23)13-11-12(27-3)5-6-14(13)20-19;1-5(2,3)4/h5-8,11,20H,4,9-10H2,1-3H3;1H3,(H,2,3,4)"	CN(C)CCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=N1)C=C(C=C4)OC.CS(=O)(=O)O	OKVKOKPUEQTYKI-UHFFFAOYSA-N
DG52473	Pyrazoloacridine	339455	"Pyrazoloacridine; 99009-20-8; PD-115934; NSC-366140; PD 115934; NSC 366140; UNII-L24XJN68OW; PD 115,934; NSC627168; L24XJN68OW; N,N-Dimethyl-9-methoxy-5-nitropyrazolo(3,4,5-kl)acridine-2(6H)-propanamine; Pyrazolo-acridine (free base); NSC-627168; NSC 366140; NSC 627168; PD 115934; PZA; BRN 4211902; CCRIS 9408; NCIMech_000572; Neuro_000206; Neuro_000260; SCHEMBL867991; CHEMBL118841; SCHEMBL6350605; ZINC3778885; CCG-35612; AKOS024419418; DB12549; MCULE-2955179343; SB17160; 9-Methoxy-N,N-dimethyl-5-nitro-2,6-dihydropyrazolo[3,4,5-kl]acridine-2-propanamine; Pyrazolo(3,4,5-kl)acridine-2(6H)-propanamine, N,N-dimethyl-9-methoxy-5-nitro-; NCI60_003371; NCI60_008612; 2-[(3-N',4,5-kl]acridine, free base; DS-001689; HY-108969; CS-0033826; Q27282607; Pyrazolo[3,4,5-kl]acridine-2(6H)-propanamide, 9-methoxy-N,N-dimethyl-; 2-[(3-N',N'-Dimethylamino)propyl]-9-methoxy-5-nitro-[6H]-pyrazolo[3,4,5-kl]acridine; 3-(9-Methoxy-5-nitropyrazolo[3,4,5-kl]acridin-2(6H)-yl)-N,N-dimethyl-1-propanamine; 3-(9-Methoxy-5-nitropyrazolo[3,4,5-kl]acridin-2(6H)-yl)-N,N-dimethyl-1-propanamine #; 3-(9-Methoxy-5-nitropyrazolo[3,4,5-kl]acridin-2(6H)-yl)-N,N-dimethylpropan-1-amine; (3-{4-methoxy-10-nitro-8,14,15-triazatetracyclo[7.6.1.0 , .0  ,  ]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl}propyl)dimethylamine; 3-(4-methoxy-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)-N,N-dimethylpropan-1-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627168	.	.	.	.	367.4	C19H21N5O3	88.1	542	3	27	1	6	5	"InChI=1S/C19H21N5O3/c1-22(2)9-4-10-23-15-7-8-16(24(25)26)19-17(15)18(21-23)13-11-12(27-3)5-6-14(13)20-19/h5-8,11,20H,4,9-10H2,1-3H3"	CN(C)CCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=N1)C=C(C=C4)OC	HZCWPKGYTCJSEB-UHFFFAOYSA-N
DG52474	"10,11-Dibromo-5H-dibenzo(A,D)cyclohepten-5-one"	339483	"NSC366220; 10,11-DIBROMO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-ONE; ZINC1586018; AKOS024429545; MCULE-5007470428; NSC-366220"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	366220	.	.	.	.	364.03	C15H8Br2O	17.1	354	4.7	18	0	1	0	InChI=1S/C15H8Br2O/c16-13-9-5-1-3-7-11(9)15(18)12-8-4-2-6-10(12)14(13)17/h1-8H	C1=CC=C2C(=C1)C(=C(C3=CC=CC=C3C2=O)Br)Br	RALNTXVWKBRYDU-UHFFFAOYSA-N
DG52475	5-[(4-Chlorophenyl)diazenyl]-4-ethoxy-6-methylpyrimidin-2-amine	339620	NSC367077; CHEMBL1988921; ZINC18126944; ZINC104236191; NSC-367077	.	.	Investigative Drug(s)	Investigative	Small molecular drug	367077	.	.	.	.	291.73	C13H14ClN5O	85.8	322	3.3	20	1	6	4	"InChI=1S/C13H14ClN5O/c1-3-20-12-11(8(2)16-13(15)17-12)19-18-10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3,(H2,15,16,17)"	CCOC1=NC(=NC(=C1N=NC2=CC=C(C=C2)Cl)C)N	HXXYFQXBRTZKDQ-UHFFFAOYSA-N
DG52476	"2-Methoxy-5H-pyrido(3',2':5,6)(1,4)thiazino(2,3-b)quinoxaline"	339701	"74396-45-5; NSC367416; UNII-MP2Y265TQ7; MLS000756920; MP2Y265TQ7; 2-Methoxy-5H-pyrido(3',2':5,6)(1,4)thiazino(2,3-b)quinoxaline; 2-Methoxy-5H-pyrido[3',2':5,6][1,4]thiazino[2,3-b]quinoxaline; NSC 367416; Oprea1_451033; SCHEMBL2683012; CHEMBL1549568; ZINC85895; DTXSID50225382; HMS2852O21; NSC-367416; NCGC00246804-01; SMR000528993; DS-004215; 2-Methoxy-5h-pyrido(3,2:5,6)(1,4)thiazino(2,3-b)quinoxaline; Methyl 5H-pyrido[3',2':5,6][1,4]thiazino[2,3-b]quinoxalin-2-yl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	367416	.	.	.	.	282.32	C14H10N4OS	85.2	358	3.2	20	1	6	1	"InChI=1S/C14H10N4OS/c1-19-11-7-6-10-13(18-11)20-14-12(16-10)15-8-4-2-3-5-9(8)17-14/h2-7H,1H3,(H,15,16)"	COC1=NC2=C(C=C1)NC3=NC4=CC=CC=C4N=C3S2	LQIKBHOZELDRRD-UHFFFAOYSA-N
DG52477	"Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate"	339703	"MLS003171239; NSC367428; 65905-96-6; Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate; SMR001875145; 5-Pyrimidinecarboxylic acid, 5-fluorohexahydro-4-methoxy- 2,6-dioxo-, methyl ester; NSC 367428; methyl 5-fluoro-4-methoxy-2,6-dioxo-1,3-diazinane-5-carboxylate; cid_339703; CHEMBL1970585; SCHEMBL11233534; BDBM96303; DTXSID80984379; NSC-367428; NCI60_003382; DS-011462; 5-Pyrimidinecarboxylic acid,6-dioxo-, methyl ester; 5-fluoro-4-methoxy-2,6-dioxo-1,3-diazinane-5-carboxylic acid methyl ester; methyl 5-fluoro-4-methoxy-2,6-dioxo-hexahydropyrimidine-5-carboxylate; 5-fluoro-2,4-diketo-6-methoxy-hexahydropyrimidine-5-carboxylic acid methyl ester; 5-Pyrimidinecarboxylic acid, 5-fluorohexahydro-4-methoxy- 2, 6-dioxo-, methyl ester; methyl 5-fluoranyl-4-methoxy-2,6-bis(oxidanylidene)-1,3-diazinane-5-carboxylate; Methyl 5-fluoro-2,6-dihydroxy-4-methoxy-4,5-dihydropyrimidine-5-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	367428	.	.	.	.	220.16	C7H9FN2O5	93.7	321	-0.7	15	2	6	3	"InChI=1S/C7H9FN2O5/c1-14-4-7(8,5(12)15-2)3(11)9-6(13)10-4/h4H,1-2H3,(H2,9,10,11,13)"	COC1C(C(=O)NC(=O)N1)(C(=O)OC)F	CMZYDQKKDNXWKW-UHFFFAOYSA-N
DG52478	N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide	339736	MLS000756922; N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide; SMR000459252; NSC367480; Maybridge1_004665; Oprea1_477092; MLS000859073; SCHEMBL6566353; CHEMBL1359925; HMS554M01; HMS2786N09; ZINC12469627; CCG-253236; MCULE-4804724520; NSC-367480	.	.	Investigative Drug(s)	Investigative	Small molecular drug	367480	.	.	.	.	297.74	C16H12ClN3O	57.8	351	3.7	21	2	2	3	"InChI=1S/C16H12ClN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-14(19-20-15)11-4-2-1-3-5-11/h1-10H,(H2,18,19,20,21)"	C1=CC=C(C=C1)C2=CC(=NN2)NC(=O)C3=CC=C(C=C3)Cl	MCEUEMILDHFTQG-UHFFFAOYSA-N
DG52479	"6-[(3,4-Dimethoxyphenyl)(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol"	339886	"NSC-368252; 6-[(3,4-dimethoxyphenyl)(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol; 102616-62-6; NSC368252; cid_339886; CHEMBL1565145; SCHEMBL15033487; BDBM41986; 6-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol; STK632730; AKOS004939188; MCULE-4506931539; 6-[(3,4-dimethoxyphenyl)-morpholino-methyl]sesamol; 6-((3,4-Dimethoxyphenyl)(morpholino)methyl)benzo[d][1,3]dioxol-5-ol; 6-[(3,4-dimethoxyphenyl)-(4-morpholinyl)methyl]-1,3-benzodioxol-5-ol; 6-[(3,4-dimethoxyphenyl)-morpholin-4-yl-methyl]-1,3-benzodioxol-5-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	368252	.	.	.	.	373.4	C20H23NO6	69.6	473	2.5	27	1	7	5	"InChI=1S/C20H23NO6/c1-23-16-4-3-13(9-17(16)24-2)20(21-5-7-25-8-6-21)14-10-18-19(11-15(14)22)27-12-26-18/h3-4,9-11,20,22H,5-8,12H2,1-2H3"	COC1=C(C=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)N4CCOCC4)OC	POUGOEFZYGQTHG-UHFFFAOYSA-N
DG52480	"6-[Piperidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol"	339887	"6-[piperidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol; 102616-82-0; 6-(Piperidin-1-yl(3,4,5-trimethoxyphenyl)methyl)benzo[d][1,3]dioxol-5-ol; NSC368253; cid_339887; CHEMBL1570211; BDBM41985; MFCD00667388; NSC-368253; NCI60_003388; 6-[piperidino-(3,4,5-trimethoxyphenyl)methyl]sesamol; 1, 6-[1-piperidinyl(3,4,5-trimethoxyphenyl)methyl]-; 1, 6-[[(3,4,5-trimethoxyphenyl)(1-piperidinyl)]methyl]-; 6-[1-piperidinyl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	368253	.	.	.	.	401.5	C22H27NO6	69.6	502	3.7	29	1	7	6	"InChI=1S/C22H27NO6/c1-25-19-9-14(10-20(26-2)22(19)27-3)21(23-7-5-4-6-8-23)15-11-17-18(12-16(15)24)29-13-28-17/h9-12,21,24H,4-8,13H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2O)OCO3)N4CCCCC4	AOFTVDRTEGBGAK-UHFFFAOYSA-N
DG52481	"2-(3-Nitrophenyl)-3-nitrosoimidazo[1,2-a]pyrimidine"	339983	"NSC369066; MLS000756926; 2-(3-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyrimidine; 2-(3-Nitro-phenyl)-3-nitroso-imidazo[1,2-a]pyrimidine; CHEMBL1420556; SCHEMBL22774371; ZINC5479118; NSC-369066; SMR000450066; 2-(3-nitrophenyl)-3-nitroso-imidazo[1,2-a]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	369066	.	.	.	.	269.22	C12H7N5O3	105	388	2.3	20	0	6	1	InChI=1S/C12H7N5O3/c18-15-11-10(14-12-13-5-2-6-16(11)12)8-3-1-4-9(7-8)17(19)20/h1-7H	C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(N3C=CC=NC3=N2)N=O	QPWJAIUKYMKWGA-UHFFFAOYSA-N
DG52482	"2-(3-Nitrophenyl)-3-nitrosoimidazo[1,2-a]pyrazine"	339984	NSC369067; CHEMBL1990813; ZINC5479119; NSC-369067	.	.	Investigative Drug(s)	Investigative	Small molecular drug	369067	.	.	.	.	269.22	C12H7N5O3	105	388	1.9	20	0	6	1	InChI=1S/C12H7N5O3/c18-15-12-11(14-10-7-13-4-5-16(10)12)8-2-1-3-9(6-8)17(19)20/h1-7H	C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(N3C=CN=CC3=N2)N=O	ONSOYMLQPOYHMD-UHFFFAOYSA-N
DG52483	"6-(1-Pyrrolidinyl(3,4,5-trimethoxyphenyl)methyl)-1,3-benzodioxol-5-ol"	340208	"116409-29-1; 6-(1-Pyrrolidinyl(3,4,5-trimethoxyphenyl)methyl)-1,3-benzodioxol-5-ol; NSC370284; NSC 370284; 6-[pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol; cid_340208; CHEMBL1557864; SCHEMBL21808862; BDBM41970; DTXSID70922063; AKOS024282084; MCULE-7381068085; NSC-370284; NCI60_003410; 6-[pyrrolidino-(3,4,5-trimethoxyphenyl)methyl]sesamol; 6-[(1-Pyrrolidinyl)(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol; 6-[(3,5-Trimethoxyphenyl)-1-pyrrolidinylmethyl]-1,3-benzodioxol-5-ol; 6-[1-pyrrolidinyl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol; {6-[(3,4,5-Trimethoxyphenyl)-1-pyrrolidinylmethyl]-1,} 3-benzodioxol-5-ol; 6-(Pyrrolidin-1-yl(3,4,5-trimethoxyphenyl)methyl)benzo[d][1,3]dioxol-5-ol; 6-[(Pyrrolidin-1-yl)(3,4,5-trimethoxyphenyl)methyl]-2H-1,3-benzodioxol-5-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	370284	.	.	.	.	387.4	C21H25NO6	69.6	487	3.3	28	1	7	6	"InChI=1S/C21H25NO6/c1-24-18-8-13(9-19(25-2)21(18)26-3)20(22-6-4-5-7-22)14-10-16-17(11-15(14)23)28-12-27-16/h8-11,20,23H,4-7,12H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2O)OCO3)N4CCCC4	QCXGNLZKUHBIHD-UHFFFAOYSA-N
DG52484	"3-thiophen-2-yl-4,5-dihydro-2H-benzo[g]indazole"	340251	"52837-61-3; NSC370463; 3-thiophen-2-yl-4,5-dihydro-2H-benzo[g]indazole; SCHEMBL2682219; DTXSID00321121; ZINC8651660; NSC-370463"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	370463	.	.	.	.	252.3	C15H12N2S	56.9	309	3.5	18	1	2	1	"InChI=1S/C15H12N2S/c1-2-5-11-10(4-1)7-8-12-14(11)16-17-15(12)13-6-3-9-18-13/h1-6,9H,7-8H2,(H,16,17)"	C1CC2=C(NN=C2C3=CC=CC=C31)C4=CC=CS4	WNMWTQISTURZQG-UHFFFAOYSA-N
DG52485	1-[2-Chloro-5-(trifluoromethyl)phenyl]-3-[3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea	340699	NSC371722; ZINC1588268; NSC-371722	.	.	Investigative Drug(s)	Investigative	Small molecular drug	371722	.	.	.	.	551.3	C22H14Cl2F6N4O2	82.3	712	6.1	36	4	8	4	"InChI=1S/C22H14Cl2F6N4O2/c23-15-6-4-11(21(25,26)27)8-17(15)33-19(35)31-13-2-1-3-14(10-13)32-20(36)34-18-9-12(22(28,29)30)5-7-16(18)24/h1-10H,(H2,31,33,35)(H2,32,34,36)"	C1=CC(=CC(=C1)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)NC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl	IKMXRDUWNLKSBD-UHFFFAOYSA-N
DG52486	"(2-((2-Aminophenyl)thio)-2-(1,3-benzodioxol-5-yl)ethyl)(hydroxy)azane oxide"	340720	"NSC371777; NSC-371777; Cyto9H5; Oprea1_086590; SCHEMBL1258527; CHEMBL1977539; MCULE-4202224254; NCI60_003432; MLS-0315901.0001; (2-((2-aminophenyl)thio)-2-(1,3-benzodioxol-5-yl)ethyl)(hydroxy)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	371777	.	.	.	.	318.3	C15H14N2O4S	116	392	2.9	22	1	6	4	"InChI=1S/C15H14N2O4S/c16-11-3-1-2-4-14(11)22-15(8-17(18)19)10-5-6-12-13(7-10)21-9-20-12/h1-7,15H,8-9,16H2"	C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])SC3=CC=CC=C3N	GOZMYDAYGPERLQ-UHFFFAOYSA-N
DG52487	"7-methoxy-3-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)-4,5-dihydro-2H-benzo[g]indazole"	340765	NSC371846; NCIMech_000562; CHEMBL2003198; ZINC5479254; CCG-35583; NSC-371846; NCI60_003433	.	.	Investigative Drug(s)	Investigative	Small molecular drug	371846	.	.	.	.	398.5	C24H22N4O2	75.8	568	4.1	30	2	4	3	"InChI=1S/C24H22N4O2/c1-29-15-5-9-17-13(11-15)3-7-19-21(17)25-27-23(19)24-20-8-4-14-12-16(30-2)6-10-18(14)22(20)26-28-24/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,25,27)(H,26,28)"	COC1=CC2=C(C=C1)C3=NNC(=C3CC2)C4=C5CCC6=C(C5=NN4)C=CC(=C6)OC	SYDAHIUDHIKUAF-UHFFFAOYSA-N
DG52488	"2-(5-(benzyloxy)-1H-indol-3-yl)-5-imino-2,5-dihydro-3,4-furandiol"	340877	"NSC372074; NSC-372074; CHEMBL2006036; 2-(5-(benzyloxy)-1H-indol-3-yl)-5-imino-2,5-dihydro-3,4-furandiol; NCI60_003445"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372074	.	.	.	.	336.3	C19H16N2O4	97.6	544	2.7	25	3	5	4	"InChI=1S/C19H16N2O4/c20-19-17(23)16(22)18(25-19)14-9-21-15-7-6-12(8-13(14)15)24-10-11-4-2-1-3-5-11/h1-9,18,21,23H,10,20H2"	C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C4C(=O)C(=C(O4)N)O	SOQBQROVZZERKD-UHFFFAOYSA-N
DG52489	"2-Isopropenyl-4,6-diphenoxy-1,3,5-triazine"	340916	"NSC372146; MLS002701871; 2-Isopropenyl-4,6-diphenoxy-1,3,5-triazine; CHEMBL1905379; ZINC1588518; NSC-372146; NCI60_003447; SMR001565461; 1,5-Triazine, 2-(1-methylethenyl)-2,4-diphenoxy-; 1,3,5-Triazine, 2-(1-methylethenyl)-2,4-diphenoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372146	.	.	.	.	305.3	C18H15N3O2	57.1	351	5.1	23	0	5	5	"InChI=1S/C18H15N3O2/c1-13(2)16-19-17(22-14-9-5-3-6-10-14)21-18(20-16)23-15-11-7-4-8-12-15/h3-12H,1H2,2H3"	CC(=C)C1=NC(=NC(=N1)OC2=CC=CC=C2)OC3=CC=CC=C3	TUHFYDGLBUXMEC-UHFFFAOYSA-N
DG52490	Kerriamycin B	340932	"Kerriamycin B; NSC372208; 98474-21-6; Antibiotic A 32Y2; 9-[4-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]-3,4a,8-trihydroxy-12b-(5-hydroxy-6-methyloxan-2-yl)oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione; Urdamycin A; Kerriamycin B; CHEMBL1995763; DTXSID00913262; NSC606397; BS-1517; NSC-372208; NSC-606397; NCI60_003450; NCI60_004661; 1,5-Anhydro-2,6-dideoxy-3-O-{5-[(2,6-dideoxyhexopyranosyl)oxy]-6-methyloxan-2-yl}-1-{3,4a,8-trihydroxy-12b-[(5-hydroxy-6-methyloxan-2-yl)oxy]-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydrotetrap"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372208	.	.	.	.	844.9	C43H56O17	257	1740	0.4	60	7	17	7	"InChI=1S/C43H56O17/c1-18-25(44)8-10-32(55-18)60-43-30(46)16-41(5,52)17-42(43,53)13-12-24-35(43)40(51)23-7-6-22(38(49)34(23)39(24)50)28-15-29(37(48)21(4)54-28)59-31-11-9-27(19(2)56-31)58-33-14-26(45)36(47)20(3)57-33/h6-7,12-13,18-21,25-29,31-33,36-37,44-45,47-49,52-53H,8-11,14-17H2,1-5H3"	CC1C(CCC(O1)OC23C(=O)CC(CC2(C=CC4=C3C(=O)C5=C(C4=O)C(=C(C=C5)C6CC(C(C(O6)C)O)OC7CCC(C(O7)C)OC8CC(C(C(O8)C)O)O)O)O)(C)O)O	FJSYXNOFZQFOAN-UHFFFAOYSA-N
DG52491	"4,4'-Sulfonylbis(7H-benzimidazo[2,1-a]benzo[de]isoquinoline-7-one)"	341016	"CHEMBL337153; NSC372364; SCHEMBL14206505; ZINC5479283; BDBM50107133; NSC-372364; 4,4'-Sulfonylbis(7H-benzimidazo[2,1-a]benzo[de]isoquinoline-7-one); 4-(7-oxo-7H-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-4-ylsulfonyl)-7H-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372364	.	.	.	.	602.6	C36H18N4O4S	112	1260	6.8	45	0	6	2	"InChI=1S/C36H18N4O4S/c41-35-23-15-17-29(19-7-5-9-21(31(19)23)33-37-25-11-1-3-13-27(25)39(33)35)45(43,44)30-18-16-24-32-20(30)8-6-10-22(32)34-38-26-12-2-4-14-28(26)40(34)36(24)42/h1-18H"	C1=CC=C2C(=C1)N=C3N2C(=O)C4=C5C3=CC=CC5=C(C=C4)S(=O)(=O)C6=C7C=CC=C8C7=C(C=C6)C(=O)N9C8=NC1=CC=CC=C19	PAZQQCMVOCVSQF-UHFFFAOYSA-N
DG52492	"7,8-Dimethyl-3,4-dihydro-2H-1,5-benzodioxepine-6,9-dione"	341020	"7,8-Dimethyl-3,4-dihydro-2H-1,5-benzodioxepine-6,9-dione; 70661-28-8; NSC372390; UNII-CFG0931IY0; CFG0931IY0; NSC 372390; CHEMBL1971418; DTXSID20220945; ZINC1588649; NSC-372390; NCI60_003458"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372390	.	.	.	.	208.21	C11H12O4	52.6	365	1.3	15	0	4	0	"InChI=1S/C11H12O4/c1-6-7(2)9(13)11-10(8(6)12)14-4-3-5-15-11/h3-5H2,1-2H3"	CC1=C(C(=O)C2=C(C1=O)OCCCO2)C	YQLZSRJSXMDSRZ-UHFFFAOYSA-N
DG52493	NSC372585	341099	"6-[(3,4-Dimethoxyphenyl)-[2-[[(3,4-dimethoxyphenyl)-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]amino]ethylamino]methyl]-1,3-benzodioxol-5-ol; NSC372585; CHEMBL1987829; NSC-372585; NCI60_003465"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372585	.	.	.	.	632.7	C34H36N2O10	138	862	5.7	46	4	12	13	"InChI=1S/C34H36N2O10/c1-39-25-7-5-19(11-27(25)41-3)33(21-13-29-31(15-23(21)37)45-17-43-29)35-9-10-36-34(20-6-8-26(40-2)28(12-20)42-4)22-14-30-32(16-24(22)38)46-18-44-30/h5-8,11-16,33-38H,9-10,17-18H2,1-4H3"	COC1=C(C=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)NCCNC(C4=CC(=C(C=C4)OC)OC)C5=CC6=C(C=C5O)OCO6)OC	URYLRAKDSCHUMZ-UHFFFAOYSA-N
DG52494	"2,4-Diamino-6-ethyl-5-(3-nitro-4-piperazinophenyl)pyrimidine"	341263	"CHEMBL79279; NSC372944; BDBM50405800; NSC-372944; NCI60_003470; 2,4-Diamino-6-ethyl-5-(3-nitro-4-piperazinophenyl)pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372944	.	.	.	.	343.38	C16H21N7O2	139	454	1.1	25	3	8	3	"InChI=1S/C16H21N7O2/c1-2-11-14(15(17)21-16(18)20-11)10-3-4-12(13(9-10)23(24)25)22-7-5-19-6-8-22/h3-4,9,19H,2,5-8H2,1H3,(H4,17,18,20,21)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N3CCNCC3)[N+](=O)[O-]	DGLCLFKOBNTETD-UHFFFAOYSA-N
DG52495	"5-(3-Dimethylaminomethyleneamino-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine"	341268	"NSC372950; CHEMBL55526; 113494-46-5; DTXSID30321290; BDBM50058415; ZINC18102337; ZINC104241168; NSC-372950; NCI60_003471; 2,4-Diamino-6-ethyl-5-(4-chloro-3-dimethylformamidinophenyl)pyrimidine; 5-(3-Dimethylaminomethyleneamino-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; N''-[2-Chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-phenyl]-N,N-dimethyl-formamidine; N'-[2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]-N,N-dimethyl-formamidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372950	.	.	.	.	318.8	C15H19ClN6	93.4	377	2.1	22	2	5	4	"InChI=1S/C15H19ClN6/c1-4-11-13(14(17)21-15(18)20-11)9-5-6-10(16)12(7-9)19-8-22(2)3/h5-8H,4H2,1-3H3,(H4,17,18,20,21)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=CN(C)C	JHYUQAGPICBQOR-UHFFFAOYSA-N
DG52496	N-(Formyldeacetyl)thiocolchicine	341279	"NSC373031; MLS002702894; 2731-23-9; N-(Formyldeacetyl)thiocolchicine; N-Deacetyl-N-formyl-10-thiocolchicine; COLCHICINE, N-DEACETYL-N-FORMYL-10-THIO-; CHEMBL1707775; N-Deacetyl-N-formylthiocolchicine; N-FORMYLDEACETYLTHIOCOLCHICINE; NSC-373031; N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)formamide; NCI60_003473; SMR001566712; 1,2,3-Trimethoxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-ylformamide; 1,2,3-Trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-ylformamide #; Formamide, {N-[5,6,7,9-tetrahydro-1,2,} {3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-,} (S)-; Formamide,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373031	.	.	.	.	401.5	C21H23NO5S	99.2	701	1.8	28	1	6	5	"InChI=1S/C21H23NO5S/c1-25-17-9-12-5-7-15(22-11-23)14-10-16(24)18(28-4)8-6-13(14)19(12)21(27-3)20(17)26-2/h6,8-11,15H,5,7H2,1-4H3,(H,22,23)"	COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC=O)OC)OC	QWMGUEXZTDFFTR-UHFFFAOYSA-N
DG52497	N-(Vinyloxycarbonyl)deacetylthiocolchicine	341280	"97043-05-5; MLS002702895; NSC373032; CHEMBL274726; DTXSID70914201; ZINC1997350; NSC-373032; NCI60_003474; N-(VINYLOXYCARBONYL)DEACETYLTHIOCOLCHICINE; Carbamic acid,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, ethenyl ester; Carbamic acid,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, ethenyl ester, (S)-; Ethenyl hydrogen [1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]carbonimidate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373032	.	.	.	.	443.5	C23H25NO6S	108	804	2.7	31	1	7	7	"InChI=1S/C23H25NO6S/c1-6-30-23(26)24-16-9-7-13-11-18(27-2)21(28-3)22(29-4)20(13)14-8-10-19(31-5)17(25)12-15(14)16/h6,8,10-12,16H,1,7,9H2,2-5H3,(H,24,26)/t16-/m0/s1"	COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC(=O)OC=C)OC)OC	QNPQOSKMAOKAKA-INIZCTEOSA-N
DG52498	"Diethyl 3,5-bis(4-methylbenzoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2,6-dicarboxylate"	341281	NSC373045; CHEMBL1971043; ZINC1588904; NSC-373045	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373045	.	.	.	.	582.6	C33H30N2O8	145	1080	6.2	43	1	9	11	"InChI=1S/C33H30N2O8/c1-5-42-32(38)28-26(30(36)21-14-10-19(3)11-15-21)25(23-8-7-9-24(18-23)35(40)41)27(29(34-28)33(39)43-6-2)31(37)22-16-12-20(4)13-17-22/h7-18,25,34H,5-6H2,1-4H3"	CCOC(=O)C1=C(C(C(=C(N1)C(=O)OCC)C(=O)C2=CC=C(C=C2)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)C	QFVIGIFTYGBDJM-UHFFFAOYSA-N
DG52499	[2-[(4-chloro-2-methylphenyl)carbamoylamino]-2-methylpropyl] N-(3-chlorophenyl)carbamate	341374	NSC373300; ZINC1588988; NSC-373300	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373300	.	.	.	.	410.3	C19H21Cl2N3O3	79.5	518	4.4	27	3	3	6	"InChI=1S/C19H21Cl2N3O3/c1-12-9-14(21)7-8-16(12)23-17(25)24-19(2,3)11-27-18(26)22-15-6-4-5-13(20)10-15/h4-10H,11H2,1-3H3,(H,22,26)(H2,23,24,25)"	CC1=C(C=CC(=C1)Cl)NC(=O)NC(C)(C)COC(=O)NC2=CC(=CC=C2)Cl	MGNFKTGRQZWELS-UHFFFAOYSA-N
DG52500	NSC373355	341380	"[(1R,2S,10R,12R,13S)-12-cyano-8-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-16,19-dioxo-10-[(2-oxopropanoylamino)methyl]-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),17-pentaen-5-yl] 2-hydroxyacetate; NSC373355; CHEMBL1994184; SCHEMBL12267004; NSC-373355; NCI60_003479"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373355	.	.	.	.	622.6	C31H34N4O10	196	1430	0.1	45	3	13	8	"InChI=1S/C31H34N4O10/c1-12-25(39)15-7-17-19(9-32)35-18(24(34(17)4)23(15)27(41)29(12)43-5)8-16-22(20(35)10-33-31(42)14(3)37)26(40)30(44-6)13(2)28(16)45-21(38)11-36/h17-20,24,36,40H,7-8,10-11H2,1-6H3,(H,33,42)/t17-,18-,19-,20-,24-/m0/s1"	CC1=C(C2=C([C@@H](N3[C@@H](C2)[C@H]4C5=C(C[C@@H]([C@@H]3C#N)N4C)C(=O)C(=C(C5=O)OC)C)CNC(=O)C(=O)C)C(=C1OC)O)OC(=O)CO	OBXNNTHNWJZCST-HPGFDKJQSA-N
DG52501	"N-(2,6-Dioxo-3-piperidinyl)benzamide"	341427	"N-(2,6-Dioxo-3-piperidinyl)benzamide; N-(2,6-dioxopiperidin-3-yl)benzamide; 91393-02-1; NSC373535; MLS000757124; NSC-373535; NSC 373535; SCHEMBL5742534; CHEMBL1594734; HMS2885E10; N-(2,6-dioxo-3-piperidyl)benzamide; 3-(benzoyl)aminopiperidine-2,6-dione; AKOS013894836; N-(2,6-Dioxopiperidine-3-yl)benzamide; NCI60_003481; SMR000529006; CS-0233496"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373535	.	.	.	.	232.23	C12H12N2O3	75.3	335	0.4	17	2	3	2	"InChI=1S/C12H12N2O3/c15-10-7-6-9(12(17)14-10)13-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15,17)"	C1CC(=O)NC(=O)C1NC(=O)C2=CC=CC=C2	QDCDITVKCKBZTO-UHFFFAOYSA-N
DG52502	"Dimethyl 15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaene-13,14-dicarboxylate"	341502	MLS002701874; SMR001565464; 85827-97-0; NSC373814; cid_341502; CHEMBL1736490; BDBM93507; DTXSID30321356; NSC-373814; NCI60_003486	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373814	.	.	.	.	310.3	C18H14O5	61.8	518	2.2	23	0	5	4	"InChI=1S/C18H14O5/c1-21-17(19)13-14(18(20)22-2)16-12-8-10-6-4-3-5-9(10)7-11(12)15(13)23-16/h3-8,15-16H,1-2H3"	COC(=O)C1=C(C2C3=CC4=CC=CC=C4C=C3C1O2)C(=O)OC	RRCFMWLKXOAGCC-UHFFFAOYSA-N
DG52503	"2-Chloro-6-methoxyquinoline-5,8-dione"	341543	"2-chloro-6-methoxyquinoline-5,8-dione; MLS003171321; 42065-07-6; SMR001875222; NSC373911; CHEMBL71466; cid_341543; BDBM91519; DTXSID60321364; ZINC1589194; NSC-373911; 2-chloro-6-methoxy-quinoline-5,8-quinone; 2-chloranyl-6-methoxy-quinoline-5,8-dione; 2-Chloro-6-methoxy-5,8-dihydroquinoline-5,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373911	.	.	.	.	223.61	C10H6ClNO3	56.3	340	1.9	15	0	4	1	"InChI=1S/C10H6ClNO3/c1-15-7-4-6(13)9-5(10(7)14)2-3-8(11)12-9/h2-4H,1H3"	COC1=CC(=O)C2=C(C1=O)C=CC(=N2)Cl	FJEPCSBUTWZVLD-UHFFFAOYSA-N
DG52504	"(2,6-dichlorophenyl)-N,N-di(1,3,4-thiadiazol-2-yl)methanediamine"	341772	"NSC375086; NSC-375086; NCIStruc1_001615; NCIStruc2_000676; CHEMBL1610577; ZINC1589490; CCG-37235; NCGC00014874; NCI375086; NCGC00014874-02; NCGC00097975-01; NCI60_003513; (2,6-dichlorophenyl)-N,N-di(1,3,4-thiadiazol-2-yl)methanediamine; Methanediamine,6-dichlorophenyl)-N,N'- bis(1,3,4-thiadiazol-2-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	375086	.	.	.	.	359.3	C11H8Cl2N6S2	132	314	4	21	2	8	5	"InChI=1S/C11H8Cl2N6S2/c12-6-2-1-3-7(13)8(6)9(16-10-18-14-4-20-10)17-11-19-15-5-21-11/h1-5,9H,(H,16,18)(H,17,19)"	C1=CC(=C(C(=C1)Cl)C(NC2=NN=CS2)NC3=NN=CS3)Cl	CZPVKGRQYZJYFU-UHFFFAOYSA-N
DG52505	"9H-Thioxanthen-9-one, 1-[2-(dimethylamino)ethylamino]-7-hydroxy-"	341818	"MLS003171337; SMR001875238; 9H-Thioxanthen-9-one, 1-[2-(dimethylamino)ethylamino]-7-hydroxy-; 86456-31-7; NSC375389; cid_341818; CHEMBL1866557; BDBM94866; DTXSID80321442; ZINC5487738; NSC-375389; 1-(2-dimethylaminoethylamino)-7-hydroxythioxanthenone; 1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-thioxanthenone; 1-[2-(dimethylamino)ethylamino]-7-hydroxythioxanthen-9-one; 1-[2-(dimethylamino)ethylamino]-7-hydroxy-thioxanthen-9-one; 1-[2-(dimethylamino)ethylamino]-7-oxidanyl-thioxanthen-9-one; 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	375389	.	.	.	.	314.4	C17H18N2O2S	77.9	404	3.7	22	2	5	4	"InChI=1S/C17H18N2O2S/c1-19(2)9-8-18-13-4-3-5-15-16(13)17(21)12-10-11(20)6-7-14(12)22-15/h3-7,10,18,20H,8-9H2,1-2H3"	CN(C)CCNC1=C2C(=CC=C1)SC3=C(C2=O)C=C(C=C3)O	LIXQKVJTQBUEPZ-UHFFFAOYSA-N
DG52506	6-beta-hydroxy-Loganin	341846	"NSC375867; 84395-22-2; 6-beta-Hydroxyloganin; 6-.beta.-hydroxy-Loganin; Loganin, 6-.beta.-hydroxy-; CHEMBL1980462; LOGANIN, 6-BETA-HYDROXY; DTXSID901004668; NSC-375867; NCI60_003529; methyl 1-(hexopyranosyloxy)-5,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	375867	.	.	.	.	406.4	C17H26O11	175	610	-2.4	28	6	11	5	"InChI=1S/C17H26O11/c1-5-8-9(12(21)10(5)19)6(15(24)25-2)4-26-16(8)28-17-14(23)13(22)11(20)7(3-18)27-17/h4-5,7-14,16-23H,3H2,1-2H3/t5-,7 ,8+,9+,10-,11 ,12+,13 ,14 ,16+,17 /m1/s1"	C[C@@H]1[C@H]2[C@@H]([C@@H]([C@@H]1O)O)C(=CO[C@H]2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC	QDEYKGKBMCIYCT-IIBPOAPYSA-N
DG52507	"4-Methyl[1]benzofuro[3,2-g]quinolin-2-ol"	341872	"NSC375985; NSC-375985; 4-methyl[1]benzofuro[3,2-g]quinolin-2-ol; NCIStruc1_000830; NCIStruc2_001143; CHEMBL1742210; SCHEMBL12819826; BDBM32637; ZINC8830788; CCG-38123; NCGC00014876; NCI375985; NCGC00014876-02; NCGC00097977-01; NCI60_003531"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	375985	.	.	.	.	249.26	C16H11NO2	42.2	431	3	19	1	2	0	"InChI=1S/C16H11NO2/c1-9-6-16(18)17-13-8-15-12(7-11(9)13)10-4-2-3-5-14(10)19-15/h2-8H,1H3,(H,17,18)"	CC1=CC(=O)NC2=CC3=C(C=C12)C4=CC=CC=C4O3	PXTUEOYAGPJNRJ-UHFFFAOYSA-N
DG52508	Nordracorubin	341882	"NORDRACORUBIN; NSC376248; 35290-22-3; 5-Methoxy-2,12-diphenyl-3,4-dihydro-2H,9H-dipyrano(2,3,4-kl:2',3'-a)xanthen-9-one; nor-Dracorubin; 5-Methoxy-2,12-diphenyl-3,4-dihydro-2H,9H-dipyrano[2,3,4-kl:2',3'-a]xanthen-9-one; NSC 376248; methoxy(diphenyl)[ ]one; CHEMBL1996924; CHEBI:185961; NSC-376248; 2H,9H-Dipyrano[2,3-a:2',3',4'-kl]xanthen-9-one, 3,4-dihydro-5-methoxy-2,12-diphenyl-, (-)-; NCI60_003535; 5-Methoxy-2,12-diphenyl-3,4-dihydro-2H,9H-dipyrano[2,3-a:2,3,4-kl]xanthen-9-one #; 9-methoxy-5,19-diphenyl-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),2,8,10,13,16,19-heptaen-15-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	376248	.	.	.	.	474.5	C31H22O5	54	1020	5	36	0	5	3	"InChI=1S/C31H22O5/c1-33-25-17-28-30(31-21(25)12-13-23(36-31)18-8-4-2-5-9-18)22-16-24(19-10-6-3-7-11-19)34-26-14-20(32)15-27(35-28)29(22)26/h2-11,14-17,23H,12-13H2,1H3"	COC1=C2CCC(OC2=C3C(=C1)OC4=CC(=O)C=C5C4=C3C=C(O5)C6=CC=CC=C6)C7=CC=CC=C7	ZKOTWKIEVACBFM-UHFFFAOYSA-N
DG52509	"(S)-5,7,9-Tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[A]heptalen-7-ylcarbamic acid, ethyl ester"	341883	"NSC376251; CHEMBL1964524; NSC-376251; NCI60_003536; (S)-5,7,9-TETRAHYDRO-3-HYDROXY-1,2-DIMETHOXY-10-(METHYLTHIO)-9-OXOBENZO[A]HEPTALEN-7-YLCARBAMIC ACID, ETHYL ESTER; Carbamic acid,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl, ethyl ester, (S)-; Carbamic acid,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, ethyl ester, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	376251	.	.	.	.	431.5	C22H25NO6S	119	761	2.2	30	2	7	6	"InChI=1S/C22H25NO6S/c1-5-29-22(26)23-15-8-6-12-10-17(25)20(27-2)21(28-3)19(12)13-7-9-18(30-4)16(24)11-14(13)15/h7,9-11,15,25H,5-6,8H2,1-4H3,(H,23,26)/t15-/m0/s1"	CCOC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)O	ADERDEOPUPHMEJ-HNNXBMFYSA-N
DG52510	"(6aS)-2,3,8-Trimethoxy-9-(methylsulfonyloxy)-6-methyl-6,6abeta-dihydro-5H-indeno[1,2-c]isoquinoline-5,11(11abetaH)-dione"	341886	"NSC376254; MLS002701702; CHEMBL268694; ZINC5618884; NSC-376254; NCI60_003537; (6aS)-2,3,8-Trimethoxy-9-(methylsulfonyloxy)-6-methyl-6,6abeta-dihydro-5H-indeno[1,2-c]isoquinoline-5,11(11abetaH)-dione; Indeno[1,11-dione, 6-methyl- 5-(methylsulfonyloxy)-5,6,6a,11a-tetrahydro- 2,3,8-trimethoxy-, cis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	376254	.	.	.	.	447.5	C21H21NO8S	117	826	1.6	31	0	8	5	"InChI=1S/C21H21NO8S/c1-22-19-11-7-16(29-4)17(30-31(5,25)26)8-12(11)20(23)18(19)10-6-14(27-2)15(28-3)9-13(10)21(22)24/h6-9,18-19H,1-5H3/t18-,19-/m1/s1"	CN1[C@H]2[C@@H](C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC(=C(C=C24)OC)OS(=O)(=O)C	GPIZRQJCJKRCLG-RTBURBONSA-N
DG52511	"N-(3,4-Dichlorophenyl)-2,4-dioxo-1-phenyl-3-pyrrolidinecarboxamide"	341959	"NSC376484; CHEMBL1968936; 3-Pyrrolidinecarboxamide, N-(3,4-dichlorophenyl)-2, 4-dioxo-1-phenyl-; NSC-376484; NCI60_003547; 3-Pyrrolidinecarboxamide,4-dichlorophenyl)-2,4-dioxo-1-phenyl-; N-(3,4-Dichlorophenyl)-2,4-dioxo-1-phenyl-3-pyrrolidinecarboxamide; N-(3,4-dichlorophenyl)-2,4-dioxo-1-phenyl-pyrrolidine-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	376484	.	.	.	.	363.2	C17H12Cl2N2O3	66.5	522	3.4	24	1	3	3	"InChI=1S/C17H12Cl2N2O3/c18-12-7-6-10(8-13(12)19)20-16(23)15-14(22)9-21(17(15)24)11-4-2-1-3-5-11/h1-8,15H,9H2,(H,20,23)"	C1C(=O)C(C(=O)N1C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl	YRWHBNJWWWTHNR-UHFFFAOYSA-N
DG52512	"4,4':3,4]cyclobut[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone,octahydro-2,6-bis(hydroxymethyl)-"	341961	"NSC376598; CHEMBL304974; NSC-376598; NCI60_003549; 4,4':3,4]cyclobut[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone,octahydro-2,6-bis(hydroxymethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	376598	.	.	.	.	334.32	C16H18N2O6	115	638	-0.4	24	2	6	2	"InChI=1S/C16H18N2O6/c19-3-17-13(21)9-5-1-2-6(10(9)14(17)22)8-7(5)11-12(8)16(24)18(4-20)15(11)23/h5-12,19-20H,1-4H2"	C1CC2C3C(C1C4C2C(=O)N(C4=O)CO)C5C3C(=O)N(C5=O)CO	RBVWZKYMWFROTK-UHFFFAOYSA-N
DG52513	NSC376739	341996	"5, 10-[(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-; CHEMBL1992472; NSC376739; NSC-376739; NCI60_003550; 5, 10-[(2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	376739	.	.	.	.	544.5	C27H28O12	200	972	1.5	39	6	12	5	"InChI=1S/C27H28O12/c1-10-22(31)13(29)6-17(38-10)39-15-8-27(36,16(30)9-28)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,28-29,31,33,35-36H,6-9H2,1-2H3/t10 ,13 ,15 ,17 ,22 ,27-/m0/s1"	CC1C(C(CC(O1)OC2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)O)O	HEQRYQONNHFDHG-UFIVDHBISA-N
DG52514	"2-Ethynyl-5-methoxybenzo-1,4-quinone"	342085	"2-Ethynyl-5-methoxybenzo-1,4-quinone; 82511-23-7; NSC377174; UNII-YNS772IK61; YNS772IK61; NSC 377174; CHEMBL1967214; DTXSID20231819; ZINC1590343; 2-ethynyl-5-methoxy-1,4-benzoquinone; NSC-377174; NCI60_003554"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	377174	.	.	.	.	162.14	C9H6O3	43.4	349	0.5	12	0	3	2	"InChI=1S/C9H6O3/c1-3-6-4-8(11)9(12-2)5-7(6)10/h1,4-5H,2H3"	COC1=CC(=O)C(=CC1=O)C#C	ISBDNZMXGHATOW-UHFFFAOYSA-N
DG52515	"8-Quinolinyl 2,6-dichlorophenylcarbamate"	342123	"MLS003171367; NSC377396; CHEMBL1871919; ZINC398071; AKOS024336695; MCULE-5034211574; NSC-377396; 8-quinolinyl 2,6-dichlorophenylcarbamate; SMR001875267"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	377396	.	.	.	.	333.2	C16H10Cl2N2O2	51.2	386	4.7	22	1	3	3	"InChI=1S/C16H10Cl2N2O2/c17-11-6-2-7-12(18)15(11)20-16(21)22-13-8-1-4-10-5-3-9-19-14(10)13/h1-9H,(H,20,21)"	C1=CC2=C(C(=C1)OC(=O)NC3=C(C=CC=C3Cl)Cl)N=CC=C2	NRZQZRPKUKHRFS-UHFFFAOYSA-N
DG52516	5-Chloro-8-quinolinyl 3-(trifluoromethyl)phenylcarbamate	342201	MLS000757136; NSC-377852; 5-chloro-8-quinolinyl 3-(trifluoromethyl)phenylcarbamate; NSC377852; CHEMBL1466186; ZINC1590480; AKOS024431677; MCULE-1143231627; SMR000529013	.	.	Investigative Drug(s)	Investigative	Small molecular drug	377852	.	.	.	.	366.7	C17H10ClF3N2O2	51.2	477	4.8	25	1	6	3	"InChI=1S/C17H10ClF3N2O2/c18-13-6-7-14(15-12(13)5-2-8-22-15)25-16(24)23-11-4-1-3-10(9-11)17(19,20)21/h1-9H,(H,23,24)"	C1=CC(=CC(=C1)NC(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)C(F)(F)F	AJQUXBOOWNSFII-UHFFFAOYSA-N
DG52517	Sipholenone-A	342375	"SIPHOLENONE-A; NSC378978; 78518-74-8; (5aR,6R,7S,9aR)-6-[2-[(1R,3aR,5S,8aR)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one; SIPHOLENONE; CHEMBL1985900; DTXSID40321625; NSC-378978; NCI60_003572"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	378978	.	.	.	.	474.7	C30H50O4	66.8	843	5.1	34	2	4	3	"InChI=1S/C30H50O4/c1-19-9-10-22-21(13-17-29(22,7)32)26(2,3)20(19)11-12-23-28(6)16-14-24(31)27(4,5)34-25(28)15-18-30(23,8)33/h9,20-23,25,32-33H,10-18H2,1-8H3/t20-,21+,22+,23+,25+,28+,29+,30-/m0/s1"	CC1=CC[C@@H]2[C@@H](CC[C@@]2(C)O)C([C@H]1CC[C@@H]3[C@]4(CCC(=O)C(O[C@@H]4CC[C@]3(C)O)(C)C)C)(C)C	LKZQMXLIWZQEEU-KOGSSWOMSA-N
DG52518	"1(2H)-Pyrimidinepropanoic acid,4-dihydro-2,4-dioxo-, ester with omega-methyl-alpha-hydroxypoly (oxy-1,2-ethanediyl)"	342397	"NSC381811; ZINC1590746; NSC379107; NSC-379107; NSC-381811; 1(2H)-Pyrimidinepropanoic acid,4-dihydro- 2,4-dioxo-, ester with .omega.-methyl-.alpha.-hydroxypoly (oxy-1,2-ethanediyl); Poly(oxy-1, .alpha.-methyl-.omega.-[[3- (5-fluoro-1,2,3,4-tetrahydro-2,4-dioxo-1-pyrimidinyl)- 1-oxopropyl]oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	381811	.	.	.	.	260.22	C10H13FN2O5	84.9	383	-0.7	18	1	6	7	"InChI=1S/C10H13FN2O5/c1-17-4-5-18-8(14)2-3-13-6-7(11)9(15)12-10(13)16/h6H,2-5H2,1H3,(H,12,15,16)"	COCCOC(=O)CCN1C=C(C(=O)NC1=O)F	LBLBUPMUZXNKSA-UHFFFAOYSA-N
DG52519	7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one	342449	7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one; 72478-67-2; NSC379398; CHEMBL1968586; SCHEMBL11432529; DTXSID60321642; ZINC159432; NSC-379398; 4-methyl-7-(2'-bromoallyloxy) coumarin; NCI60_003574	.	.	Investigative Drug(s)	Investigative	Small molecular drug	379398	.	.	.	.	295.13	C13H11BrO3	35.5	362	3.4	17	0	3	3	"InChI=1S/C13H11BrO3/c1-8-5-13(15)17-12-6-10(3-4-11(8)12)16-7-9(2)14/h3-6H,2,7H2,1H3"	CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=C)Br	SIEZLKYPPOEGKM-UHFFFAOYSA-N
DG52520	7-[(2-chloro-6-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one	342450	MLS003171399; 7-[(2-chloro-6-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one; NSC379399; Oprea1_115041; CHEMBL1980421; ZINC140345; STK716556; AKOS005533468; MCULE-1057405449; NSC-379399; 314262-56-1; NCI60_003575; SMR001875298	.	.	Investigative Drug(s)	Investigative	Small molecular drug	379399	.	.	.	.	318.7	C17H12ClFO3	35.5	453	4.4	22	0	4	3	"InChI=1S/C17H12ClFO3/c1-10-7-17(20)22-16-8-11(5-6-12(10)16)21-9-13-14(18)3-2-4-15(13)19/h2-8H,9H2,1H3"	CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=C(C=CC=C3Cl)F	SBUANIAUGARJCP-UHFFFAOYSA-N
DG52521	"3-(2-Chloro-6-fluorophenyl)-4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-5-methyl-1,2-oxazole"	342458	MLS003171401; NSC379407; ZINC1590780; NSC-379407; SMR001875299	.	.	Investigative Drug(s)	Investigative	Small molecular drug	379407	.	.	.	.	389.2	C19H11Cl2FN2O2	52.1	481	5.5	26	0	5	3	"InChI=1S/C19H11Cl2FN2O2/c1-10-16(18(24-26-10)17-13(21)3-2-4-14(17)22)19-23-9-15(25-19)11-5-7-12(20)8-6-11/h2-9H,1H3"	CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C3=NC=C(O3)C4=CC=C(C=C4)Cl	HUDZYEDAJNLYFE-UHFFFAOYSA-N
DG52522	"1-(2,6-Dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea"	342499	"MLS000757144; NSC379468; 1-(2,6-Dichlorophenyl)-3-(6-methyl-3-pyridyl)urea; CHEMBL1372960; CHEBI:106077; ZINC13140245; NSC-379468; SMR000529017; Q27183878; 1-(2,6-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	379468	.	.	.	.	296.15	C13H11Cl2N3O	54	306	3.1	19	2	2	2	"InChI=1S/C13H11Cl2N3O/c1-8-5-6-9(7-16-8)17-13(19)18-12-10(14)3-2-4-11(12)15/h2-7H,1H3,(H2,17,18,19)"	CC1=NC=C(C=C1)NC(=O)NC2=C(C=CC=C2Cl)Cl	UGOAVFCPVAZKHK-UHFFFAOYSA-N
DG52523	"5-(4-tert-butylphenyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl 4-chlorobenzyl sulfide"	342553	"NSC379546; NSC-379546; NCIStruc1_000266; NCIStruc2_001676; CHEMBL1330057; ZINC1590858; CCG-38315; NCGC00014880; NCI379546; NCGC00014880-02; NCGC00097981-01; 5-(4-tert-butylphenyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl 4-chlorobenzyl sulfide; NCI60_003580"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	379546	.	.	.	.	502	C26H23ClF3N3S	56	642	8.3	34	0	6	6	"InChI=1S/C26H23ClF3N3S/c1-25(2,3)19-11-9-18(10-12-19)23-31-32-24(34-16-17-7-13-21(27)14-8-17)33(23)22-6-4-5-20(15-22)26(28,29)30/h4-15H,16H2,1-3H3"	CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SCC4=CC=C(C=C4)Cl	SJVYQRBAHIOAHW-UHFFFAOYSA-N
DG52524	"2-(furan-2-yl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one"	342597	MLS000757159; NSC379651; Oprea1_716009; CHEMBL1521330; CHEMBL4296823; HMS2886H04; ZINC13597767; MCULE-3697437379; NSC-379651; SMR000529020	.	.	Investigative Drug(s)	Investigative	Small molecular drug	379651	.	.	.	.	277.28	C16H11N3O2	57.8	544	2	21	1	4	2	"InChI=1S/C16H11N3O2/c20-16-10-12(11-5-2-1-3-6-11)17-15-9-13(18-19(15)16)14-7-4-8-21-14/h1-10,18H"	C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)C=C(N3)C4=CC=CO4	UZMJKUTVUYXUED-UHFFFAOYSA-N
DG52525	N2-(6-nitro-2-oxo-2H-chromen-3-yl)thiophene-2-carboxamide	342620	NSC379867; N2-(6-nitro-2-oxo-2H-chromen-3-yl)thiophene-2-carboxamide; MLS000723432; CHEMBL1383192; HMS2663F14; ZINC253509; MCULE-4264596493; NSC-379867; NCI60_003589; SMR000305027; SR-01000418812; SR-01000418812-1; N-(6-nitro-2-oxo-chromen-3-yl)thiophene-2-carboxamide; N-(6-(Hydroxy(oxido)amino)-2-oxo-2H-chromen-3-yl)-2-thiophenecarboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	379867	.	.	.	.	316.29	C14H8N2O5S	130	530	2.8	22	1	6	2	"InChI=1S/C14H8N2O5S/c17-13(12-2-1-5-22-12)15-10-7-8-6-9(16(19)20)3-4-11(8)21-14(10)18/h1-7H,(H,15,17)"	C1=CSC(=C1)C(=O)NC2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O	GRMVEFCMZGNFGF-UHFFFAOYSA-N
DG52526	"N-(2,6-dibromo-4-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide"	342632	"MLS000757161; NSC379880; CHEMBL1456086; CHEBI:105738; ZINC1590927; NSC-379880; SMR000529022; Q27183503; N-(2,6-dibromo-4-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	379880	.	.	.	.	519	C18H12Br2Cl2N2O2	55.1	494	6.3	26	1	3	3	"InChI=1S/C18H12Br2Cl2N2O2/c1-8-6-10(19)16(11(20)7-8)23-18(25)14-9(2)26-24-17(14)15-12(21)4-3-5-13(15)22/h3-7H,1-2H3,(H,23,25)"	CC1=CC(=C(C(=C1)Br)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C)Br	UEQJYROUYRYTFG-UHFFFAOYSA-N
DG52527	"1,2-Dithiolo(3,4-b)pyridin-3-one"	342690	"65282-42-0; UNII-LHU96QSJ2E; NSC380271; LHU96QSJ2E; 1,2-Dithiolo(3,4-b)pyridin-3-one; 1,2-Dithiolo[3,4-b]pyridin-3-one; dithiolo[3,4-b]pyridin-3-one; NSC 380271; CHEMBL64397; DTXSID50215622; ZINC1590994; NSC-380271; 3H-1,2-Dithiolo[3,4-b]pyridin-3-one; NCI60_003593; 3H-1,2-Dithiolo[3,4-b]pyridine-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	380271	.	.	.	.	169.2	C6H3NOS2	80.6	162	1.2	10	0	4	0	InChI=1S/C6H3NOS2/c8-6-4-2-1-3-7-5(4)9-10-6/h1-3H	C1=CC2=C(N=C1)SSC2=O	ZFEQZSUEICITLV-UHFFFAOYSA-N
DG52528	"Pyrrolo[2,7-dimethanol, 5-(3,4-dichloro phenyl)-, bis(methylcarbamate) (ester)"	342837	"NSC380725; CHEMBL2003854; ZINC1591127; NSC-380725; NCI60_003603; Pyrrolo[2,7-dimethanol, 5-(3,4-dichloro phenyl)-, bis(methylcarbamate) (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	380725	.	.	.	.	444.3	C18H19Cl2N3O4S	107	573	3.2	28	2	5	7	"InChI=1S/C18H19Cl2N3O4S/c1-21-17(24)26-8-11-12(9-27-18(25)22-2)16-23(5-6-28-16)15(11)10-3-4-13(19)14(20)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,21,24)(H,22,25)"	CNC(=O)OCC1=C(N2CCSC2=C1COC(=O)NC)C3=CC(=C(C=C3)Cl)Cl	QKQIGVVOCMNRQP-UHFFFAOYSA-N
DG52529	2-(4-Chlorophenyl)-3-hydroxyquinazolin-4(3H)-one	342897	65772-21-6; NSC380803; CHEMBL1965693; DTXSID80321760; ZINC1591188; NSC-380803; NCI60_003606; 2-(4-Chlorophenyl)-3-hydroxyquinazolin-4(3H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	380803	.	.	.	.	272.68	C14H9ClN2O2	52.9	391	2.7	19	1	3	1	"InChI=1S/C14H9ClN2O2/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17(13)19/h1-8,19H"	C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)Cl)O	YWWGILQCNLWFDH-UHFFFAOYSA-N
DG52530	3-Hydroxy-2-(3-nitrophenyl)quinazolin-4-one	342898	NSC380804; CHEMBL2002296; ZINC1591189; NSC-380804; NCI60_003607	.	.	Investigative Drug(s)	Investigative	Small molecular drug	380804	.	.	.	.	283.24	C14H9N3O4	98.7	473	1.9	21	1	5	1	"InChI=1S/C14H9N3O4/c18-14-11-6-1-2-7-12(11)15-13(16(14)19)9-4-3-5-10(8-9)17(20)21/h1-8,19H"	C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])O	RAZQHGQZUWOGQY-UHFFFAOYSA-N
DG52531	"Acronycine, 2-nitro"	342903	"NSC380856; 7095-42-3; 2-Nitroacronycine; 2-Nitro-acronycine; ACRONYCINE, 2-NITRO; CHEMBL2000803; DTXSID00321762; ZINC5487987; NSC-380856; NCI60_003609"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	380856	.	.	.	.	366.4	C20H18N2O5	84.6	670	3.2	27	0	6	1	"InChI=1S/C20H18N2O5/c1-20(2)16(22(24)25)9-12-14(27-20)10-15(26-4)17-18(12)21(3)13-8-6-5-7-11(13)19(17)23/h5-10H,1-4H3"	CC1(C(=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)[N+](=O)[O-])C	FFUMIZNHKKJWAI-UHFFFAOYSA-N
DG52532	"N'-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-benzimidazol-2-yl)methanediamine"	343042	NSC381793; CHEMBL1965585; ZINC1591378; NSC-381793; NCI60_003618	.	.	Investigative Drug(s)	Investigative	Small molecular drug	381793	.	.	.	.	309.2	C14H14Cl2N4	48.1	304	4.5	20	4	4	4	"InChI=1S/C14H14Cl2N4/c15-10-6-5-9(7-11(10)16)17-8-18-14-19-12-3-1-2-4-13(12)20-14/h1-7,14,17-20H,8H2"	C1=CC=C2C(=C1)NC(N2)NCNC3=CC(=C(C=C3)Cl)Cl	MHVZONNBPRTHPD-UHFFFAOYSA-N
DG52533	"2-(3,5-Di-hydrofuran-2-yl)-5-methoxycyclohexa-2,5-diene 1,4-dione"	343052	"NSC381804; CHEMBL1987139; NSC-381804; NCI60_003620; 2-(3,5-di-hydrofuran-2-yl)-5-methoxycyclohexa-2,5-diene 1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	381804	.	.	.	.	347.1	C14H12Cl2O6	78.9	658	2	22	0	6	4	"InChI=1S/C14H12Cl2O6/c1-6(2)21-14(12(16)11(15)13(19)22-14)7-4-9(18)10(20-3)5-8(7)17/h4-6H,1-3H3"	CC(C)OC1(C(=C(C(=O)O1)Cl)Cl)C2=CC(=O)C(=CC2=O)OC	KHMSDJNYLCWUQD-UHFFFAOYSA-N
DG52534	"2,4,6,6-Tetrakis(4-fluorophenoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,4-diamine"	343057	NSC381810; CHEMBL1964915; NSC-381810; NCI60_003621	.	.	Investigative Drug(s)	Investigative	Small molecular drug	381810	.	.	.	.	611.4	C24H20F4N5O4P3	126	944	6.9	40	2	13	8	"InChI=1S/C24H20F4N5O4P3/c25-17-1-9-21(10-2-17)34-38(29)31-39(30,35-22-11-3-18(26)4-12-22)33-40(32-38,36-23-13-5-19(27)6-14-23)37-24-15-7-20(28)8-16-24/h1-16H,29-30H2"	C1=CC(=CC=C1OP2(=NP(=NP(=N2)(OC3=CC=C(C=C3)F)OC4=CC=C(C=C4)F)(N)OC5=CC=C(C=C5)F)N)F	BBPAEUOMBQPCPL-UHFFFAOYSA-N
DG52535	Maxima isoflavone D	343081	"Maxima isoflavone D; Maximaisoflavone D; NSC382028; 94413-08-8; 7-(3,4-Dimethoxyphenyl)-6H-(1,3)dioxolo(4,5-h)chromen-6-one; 7,8-Methylenedioxy-3',4'-dimethoxyisoflavone; 7-(3,4-Dimethoxyphenyl)-6H-[1,3]dioxolo[4,5-h]chromen-6-one; NSC 382028; 7-(3,4-dimethoxyphenyl)-[1,3]dioxolo[4,5-h]chromen-6-one; CHEMBL1967131; DTXSID00241476; LMPK12050144; NSC-382028; NCI60_003638; DS-009163"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382028	.	.	.	.	326.3	C18H14O6	63.2	518	2.9	24	0	6	3	"InChI=1S/C18H14O6/c1-20-13-5-3-10(7-15(13)21-2)12-8-22-17-11(16(12)19)4-6-14-18(17)24-9-23-14/h3-8H,9H2,1-2H3"	COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC4=C3OCO4)OC	BURSEYYMJTXRQK-UHFFFAOYSA-N
DG52536	"2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)-"	343093	"NSC382046; UNII-ZWX6M6AF6L; ZWX6M6AF6L; 289636-44-8; 2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)-; 2,4-Pyrimidinediamine, 6-ethyl-5-[3-nitro-4-(phenylmethyl)phenyl]-; NSC 382046; CHEMBL2003838; DTXSID50183170; ZINC1591456; 6-Ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)-2,4-pyrimidinediamine; NSC-382046; NCI60_003646; 5-(4-benzyl-3-nitro-phenyl)-6-ethyl-pyrimidine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382046	.	.	.	.	349.4	C19H19N5O2	124	465	3.8	26	2	6	4	"InChI=1S/C19H19N5O2/c1-2-15-17(18(20)23-19(21)22-15)14-9-8-13(16(11-14)24(25)26)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H4,20,21,22,23)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)CC3=CC=CC=C3)[N+](=O)[O-]	AGEVNTXDTUYAHG-UHFFFAOYSA-N
DG52537	"2, 5-(3-Azido-4-chlorophenyl)-6-ethyl-, monoethanesulfonate"	343097	"MLS002701720; SMR001565317; CHEMBL1717611; NSC382050; NSC-382050; 2, 5-(3-azido-4-chlorophenyl)- 6-ethyl-, monoethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382050	.	.	.	.	399.9	C14H18ClN7O3S	155	478	.	26	3	9	4	"InChI=1S/C12H12ClN7.C2H6O3S/c1-2-8-10(11(14)18-12(15)17-8)6-3-4-7(13)9(5-6)19-20-16;1-2-6(3,4)5/h3-5H,2H2,1H3,(H4,14,15,17,18);2H2,1H3,(H,3,4,5)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=[N+]=[N-].CCS(=O)(=O)O	BZCOWENGBZUNOI-UHFFFAOYSA-N
DG52538	"5-(3-Azido-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine"	343098	"NSC319947; MLS002701810; CHEMBL299045; SMR001565317; cid_343097; cid_343098; BDBM94892; 5-(3-azido-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; ZINC13762607; NSC-319947; NCI60_002759; NCI60_003648; SMR001565404; 2, 5-(3-azido-4-chlorophenyl)-6-ethyl-; 5-(3-Azido-4-chloro-phenyl)-6-ethyl-pyrimidine-2,4-diamine; 2,4-Diamino-5-(3-amino-4-chloro-5-azidophenyl)-6-ethylpyrimidine; [2-amino-5-(3-azido-4-chloro-phenyl)-6-ethyl-pyrimidin-4-yl]amine;esylic acid; 5-(3-azido-4-chloranyl-phenyl)-6-ethyl-pyrimidine-2,4-diamine;ethanesulfonic acid; 5-(3-azido-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;ethanesulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319947	.	.	.	.	289.72	C12H12ClN7	92.2	373	3.4	20	2	6	3	"InChI=1S/C12H12ClN7/c1-2-8-10(11(14)18-12(15)17-8)6-3-4-7(13)9(5-6)19-20-16/h3-5H,2H2,1H3,(H4,14,15,17,18)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=[N+]=[N-]	CTABHCUZJBWUKN-UHFFFAOYSA-N
DG52539	"6-Ethyl-5-[1-(2-phenylethyl)benzotriazol-5-yl]pyrimidine-2,4-diamine"	343101	NSC382053; CHEMBL1986608; ZINC13212483; NSC-382053; NCI60_003649	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382053	.	.	.	.	359.4	C20H21N7	109	469	3	27	2	6	5	"InChI=1S/C20H21N7/c1-2-15-18(19(21)24-20(22)23-15)14-8-9-17-16(12-14)25-26-27(17)11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H4,21,22,23,24)"	CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)N(N=N3)CCC4=CC=CC=C4	QZJSMKNWPAJWQB-UHFFFAOYSA-N
DG52540	Gallicodazole	343115	Gallicodazole; NSC382103; ZINC5479504; NSC-382103	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382103	.	.	.	.	281.26	C12H15N3O5	94.7	343	1.3	20	2	6	5	"InChI=1S/C12H15N3O5/c1-17-7-5-6-8(10(19-3)9(7)18-2)14-11(13-6)15-12(16)20-4/h5H,1-4H3,(H2,13,14,15,16)"	COC1=C(C(=C2C(=C1)NC(=N2)NC(=O)OC)OC)OC	XFMZIDADRVOJKW-UHFFFAOYSA-N
DG52541	"2, 3,3'-(1,6-Hexanediyl)bis[5,5-diphenyl-"	343242	"NSC382386; CHEMBL1974905; ZINC5663901; NSC-382386; NCI60_003654; 2, 3,3'-(1,6-hexanediyl)bis[5,5- diphenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382386	.	.	.	.	586.7	C36H34N4O4	98.8	919	5.8	44	2	4	11	"InChI=1S/C36H34N4O4/c41-31-35(27-17-7-3-8-18-27,28-19-9-4-10-20-28)37-33(43)39(31)25-15-1-2-16-26-40-32(42)36(38-34(40)44,29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24H,1-2,15-16,25-26H2,(H,37,43)(H,38,44)"	C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CCCCCCN3C(=O)C(NC3=O)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6	XMIQQJAGAZZTDB-UHFFFAOYSA-N
DG52542	3-[(2-Nitrophenyl)diazenyl]-1-benzothiophen-2-ol	343248	NSC382584; CHEMBL2003814; ZINC18068862; ZINC104246968; NSC-382584; NCI60_003656	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382584	.	.	.	.	299.31	C14H9N3O3S	119	415	4.5	21	1	6	2	"InChI=1S/C14H9N3O3S/c18-14-13(9-5-1-4-8-12(9)21-14)16-15-10-6-2-3-7-11(10)17(19)20/h1-8,18H"	C1=CC=C2C(=C1)C(=C(S2)O)N=NC3=CC=CC=C3[N+](=O)[O-]	UZHMOWFAEQLCLL-UHFFFAOYSA-N
DG52543	"1-[1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-2,3-benzodiazepin-3-yl]ethanone"	343249	"90140-50-4; NSC382585; CHEMBL1972761; DTXSID60321869; ZINC1591627; NSC-382585; 1-[1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-2,3-benzodiazepin-3-yl]ethanone; NCI60_003657"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382585	.	.	.	.	424.5	C24H28N2O5	69.6	706	3.9	31	0	6	6	"InChI=1S/C24H28N2O5/c1-8-17-14(2)26(15(3)27)25-24(16-9-10-20(28-4)21(11-16)29-5)19-13-23(31-7)22(30-6)12-18(17)19/h9-13H,8H2,1-7H3"	CCC1=C(N(N=C(C2=CC(=C(C=C21)OC)OC)C3=CC(=C(C=C3)OC)OC)C(=O)C)C	CLJPSMAKAGRZBN-UHFFFAOYSA-N
DG52544	"4,11-Diazatricyclo[5.3.1.0(2,6)]undecane-3,5,8-trione, 11-methyl-4-phenyl-"	343412	"NSC382837; MLS003171469; CHEMBL2131159; SCHEMBL21247489; NSC-382837; SMR001875356; 4,6)]undecane-3,5,8-trione, 11-methyl-4-phenyl-; {4,11-Diazatricyclo[5.3.1.0(2,6)]undecane-3,5,8-trione,} 11-methyl-4-phenyl-; 4,11-Diazatricyclo[5.3.1.0(2,6)]undecane-3,5,8-trione, 11-methyl-4-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382837	.	.	.	.	282.29	C16H14N2O3	57.7	550	0.6	21	0	4	1	"InChI=1S/C16H14N2O3/c1-17-10-7-8-11(19)14(17)13-12(10)15(20)18(16(13)21)9-5-3-2-4-6-9/h2-8,10,12-14H,1H3"	CN1C2C=CC(=O)C1C3C2C(=O)N(C3=O)C4=CC=CC=C4	RWCGNTKHOIIGNF-UHFFFAOYSA-N
DG52545	"8-[4-(Dimethylamino)phenyl]-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol"	343521	NSC382988; CHEMBL1985798; NSC-382988; NCI60_003669	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382988	.	.	.	.	327.4	C19H21NO4	51.2	451	3.3	24	1	5	2	"InChI=1S/C19H21NO4/c1-19(21)10-15(12-4-6-13(7-5-12)20(2)3)14-8-17-18(23-11-22-17)9-16(14)24-19/h4-9,15,21H,10-11H2,1-3H3"	CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC=C(C=C4)N(C)C)O	PIASYSCTSBHKAT-UHFFFAOYSA-N
DG52546	(+)-8-epi-Altholactone	343590	"(+)-8-epi-Altholactone; NSC383482; NSC633430; B826538K051; NSC633427; NSC633428; 124868-11-7; CHEMBL1968763; CHEBI:181599; 3-hydroxy-2-phenyl-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-5-one; 9570AF; MCULE-8647739828; NSC-383482; NSC-633430; NCGC00385442-01; NCI60_003677; 3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-furo[3,2-b]pyran-5-one; 3-hydroxy-2-phenyl-2,3,3a,7a-tetrahydrouro[3,2-b]pyran-5-one; NCGC00385442-01_C13H12O4_3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-5H-furo[3,2-b]pyran-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	383482	.	.	.	.	232.23	C13H12O4	55.8	332	0.9	17	1	4	1	"InChI=1S/C13H12O4/c14-10-7-6-9-13(17-10)11(15)12(16-9)8-4-2-1-3-5-8/h1-7,9,11-13,15H"	C1=CC=C(C=C1)C2C(C3C(O2)C=CC(=O)O3)O	ZKIRVBNLJKGIEM-UHFFFAOYSA-N
DG52547	4-[Bromo-(4-hydroxy-3-nitrophenyl)arsanyl]-2-nitrophenol	343613	7464-66-6; NSC400008; 4-[bromo-(4-hydroxy-3-nitrophenyl)arsanyl]-2-nitrophenol; CHEMBL1975445; ANTINEOPLASTIC-400008; DTXSID00321909; NSC-400008; NCI60_003725	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400008	.	.	.	.	431.03	C12H8AsBrN2O6	132	393	.	22	2	6	2	"InChI=1S/C12H8AsBrN2O6/c14-13(7-1-3-11(17)9(5-7)15(19)20)8-2-4-12(18)10(6-8)16(21)22/h1-6,17-18H"	C1=CC(=C(C=C1[As](C2=CC(=C(C=C2)O)[N+](=O)[O-])Br)[N+](=O)[O-])O	OMJNTTGUVBGBLD-UHFFFAOYSA-N
DG52548	"4(1H)-Quinolone, 5,6,7,8-tetrahydro-2-phenyl-"	343668	"NSC400085; 83842-17-5; DTXSID50321959; ZINC5479593; NSC-400085; DS-005017; 4(1H)-Quinolone,6,7,8-tetrahydro-2-phenyl-; 1,4,5,6,7,8-Hexahydro-2-phenylquinoline-4-one; 4(1H)-Quinolone, 5,6,7,8-tetrahydro-2-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400085	.	.	.	.	225.28	C15H15NO	29.1	386	3	17	1	2	1	"InChI=1S/C15H15NO/c17-15-10-14(11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15/h1-3,6-7,10H,4-5,8-9H2,(H,16,17)"	C1CCC2=C(C1)C(=O)C=C(N2)C3=CC=CC=C3	JQAQWCPQGMLSGO-UHFFFAOYSA-N
DG52549	"6,7-Dimethyl-5,8-dihydronaphthalene-1,4-diol"	343914	"6,7-dimethyl-5,8-dihydronaphthalene-1,4-diol; 7475-96-9; NSC400529; CHEMBL1994100; SCHEMBL14283953; DTXSID30322126; ZINC18211153; NSC-400529; NCI60_003744; DS-015667"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400529	.	.	.	.	190.24	C12H14O2	40.5	231	2.1	14	2	2	0	"InChI=1S/C12H14O2/c1-7-5-9-10(6-8(7)2)12(14)4-3-11(9)13/h3-4,13-14H,5-6H2,1-2H3"	CC1=C(CC2=C(C=CC(=C2C1)O)O)C	JVVDSVZRKMEJCJ-UHFFFAOYSA-N
DG52550	"Phenazine, 2-chloro-, 5,10-dioxide"	343972	"303-79-7; NSC400607; 2-Chlorophenazine 5,10-dioxide; DTXSID60322174; ZINC5699014; NSC-400607; Phenazine, 2-chloro-, 5,10-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400607	.	.	.	.	246.65	C12H7ClN2O2	46.4	326	1.9	17	0	3	0	InChI=1S/C12H7ClN2O2/c13-8-5-6-11-12(7-8)15(17)10-4-2-1-3-9(10)14(11)16/h1-7H	C1=CC=C2C(=C1)N(C3=C([N+]2=O)C=CC(=C3)Cl)[O-]	NFCIQNJPHBEHLU-UHFFFAOYSA-N
DG52551	[4-(4-Hydroxyphenyl)phenyl]-phenylmethanone	344075	"MLS000757167; 5623-46-1; NSC400770; [4-(4-hydroxyphenyl)phenyl]-phenylmethanone; 4-hydroxy-4'-benzoylbiphenyl; SCHEMBL2214895; CHEMBL1341020; 4-(4-Hydroxyphenyl)benzophenone; DTXSID20322251; CHEBI:114504; ZINC1593556; NSC-400770; SMR000529026; (4'-hydroxy[1,1'-biphenyl]-4-yl)phenylmethanone; Q27195907"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400770	.	.	.	.	274.3	C19H14O2	37.3	330	4.7	21	1	2	3	"InChI=1S/C19H14O2/c20-18-12-10-15(11-13-18)14-6-8-17(9-7-14)19(21)16-4-2-1-3-5-16/h1-13,20H"	C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O	IURCXIQRULDEEY-UHFFFAOYSA-N
DG52552	4-(Oxiran-2-yl)-2-phenylquinoline	344157	NSC400905; CHEMBL2002122; NSC-400905; NCI60_003748	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400905	.	.	.	.	247.29	C17H13NO	25.4	312	3.3	19	0	2	2	"InChI=1S/C17H13NO/c1-2-6-12(7-3-1)16-10-14(17-11-19-17)13-8-4-5-9-15(13)18-16/h1-10,17H,11H2"	C1C(O1)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4	QYPDECDZRHCTEF-UHFFFAOYSA-N
DG52553	"5,6-Quinolinedione"	344174	"5,6-Quinolinedione; quinoline-5,6-dione; 7467-33-6; NSC400944; NSC 400944; quinoline-5,6-quinone; NCIMech_000147; SCHEMBL421295; CHEMBL1984075; DTXSID70225647; ZINC1717563; CCG-35346; NSC-400944; NCI60_003749; DS-005618"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400944	.	.	.	.	159.14	C9H5NO2	47	257	0.5	12	0	3	0	InChI=1S/C9H5NO2/c11-8-4-3-7-6(9(8)12)2-1-5-10-7/h1-5H	C1=CC2=C(C=CC(=O)C2=O)N=C1	YLSMOFSAPNMDOC-UHFFFAOYSA-N
DG52554	Illudin M	344199	"Illudin M; Illudine M; 1146-04-9; UNII-0ASO6A4L61; (-)-Illudin M; NSC400978; DR-15977; 0ASO6A4L61; CHEBI:5866; (-)-1alpha,7beta-dihydroxy-2,9-illudadien-8-one; CCRIS 3539; NSC 400978; NSC 626370; BRN 2286081; NCIMech_000581; SCHEMBL232710; CHEMBL501342; Spiro[cyclopropane-1, 2',3'-dihydro-3',6'-dihydroxy-2',2',4',6'-tetramethyl-,(3'S,6'R)-; Spiro[cyclopropane-1, 2',3'-dihydro-3',6'-dihydroxy-2',2',4',6'-tetramethyl-,(3'S-trans)-; Spiro[cyclopropane-1, 2',3'-dihydro-3'.beta.,6'.alpha.-dihydroxy- 2',2',4',6'-tetramethyl-; ZINC4098277; CCG-35652; LMPR0103590001; NSC-400978; NCI60_003750; HY-122493; CS-0085822; C09687; Q27106919; (1S,5R)-1,5-dihydroxy-2,2,5,7-tetramethyl-spiro[1H-indene-6,1'-cyclopropane]-4-one; (3'S,6'R)-2',3'-Dihydro-3',6'-dihydroxy-2',2',4',6'-tetramethyl-spiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one; Spiro(cyclopropane-1,5'-(5H)inden)-7'(6'H)-one, 2',3'-dihydro-3'-beta,6'-alpha-dihydroxy-2',24',6'-tetramethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400978	.	.	.	.	248.32	C15H20O3	57.5	520	0.8	18	2	3	0	"InChI=1S/C15H20O3/c1-8-10-9(7-13(2,3)12(10)17)11(16)14(4,18)15(8)5-6-15/h7,12,17-18H,5-6H2,1-4H3/t12-,14+/m1/s1"	CC1=C2[C@H](C(C=C2C(=O)[C@](C13CC3)(C)O)(C)C)O	QVMDIQLUNODCTG-OCCSQVGLSA-N
DG52555	Illudin S	344200	"Illudin S; 1149-99-1; Lampterol; UNII-EWJ0GY2H7X; (-)-Illudin S; EWJ0GY2H7X; DR-15978; CHEBI:5867; NSC400979; (-)-1alpha,7beta,12-trihydroxy-2,9-illudadien-8-one; Lunamycin; Illudine S; CCRIS 3540; NSC 400979; NSC 626369; BRN 2336420; CHEMBL509170; SCHEMBL1743370; EX-A5056; ZINC1618541; LMPR0103590002; NSC-400979; NCI60_003751; HY-125098; CS-0089316; C09688; J-003167; Q27106920; 2',3'-Dihydro-2',6'-dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethylspiro(cyclopropane-1,5'-(5H)inden)-7'(6'H)-one; Spiro(cyclopropane-1,5'-(5H)inden)-7'(6'H)-one, 2',3'-dihydro-3',6'-dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-, (2'S-(2'alpha,3'beta,6'alpha))- (9CI); Spiro[cyclopropane-1, 2',3'-dihydro-3',6'-dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-; Spiro[cyclopropane-1, 2',3'-dihydro-3',6'-dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-, [2'S-(2'.alpha.,3'.beta.,6'.alpha.)]-; Sprio(cyclopropane-1,5'-(5H)inden)-7'(6'H)-one, 2',3'-dihydro-3',6'-dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-, (2'S,3'R,6'R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400979	.	.	.	.	264.32	C15H20O4	77.8	540	0.1	19	3	4	1	"InChI=1S/C15H20O4/c1-8-10-9(6-13(2,7-16)12(10)18)11(17)14(3,19)15(8)4-5-15/h6,12,16,18-19H,4-5,7H2,1-3H3/t12-,13+,14+/m1/s1"	CC1=C2[C@H]([C@](C=C2C(=O)[C@](C13CC3)(C)O)(C)CO)O	DDLLIYKVDWPHJI-RDBSUJKOSA-N
DG52556	2-(Diethylamino)-1-(4-phenylcyclohexyl)ethanol	344209	NSC400995; CHEMBL2001543; NSC-400995; NCI60_003752	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400995	.	.	.	.	275.4	C18H29NO	23.5	250	4	20	1	2	6	"InChI=1S/C18H29NO/c1-3-19(4-2)14-18(20)17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-9,16-18,20H,3-4,10-14H2,1-2H3"	CCN(CC)CC(C1CCC(CC1)C2=CC=CC=C2)O	KCPQCTKXSFRSEY-UHFFFAOYSA-N
DG52557	"14-Methyl-3,12-dioxahexacyclo[16.3.1.04,21.05,10.011,20.015,19]docosa-5(10),7-diene-2,6,9-trione"	344218	"NSC401005; CHEMBL1976986; DTXSID30930780; NSC-401005; NCI60_003753; 10-Methyl-6a,7,7a,8,9,9a,9b,9c,9d,10,11,12a-dodecahydrobenzo[6,7][1]benzofuro[3,4,5-ijk]cyclopenta[ef][2]benzoxepine-1,4,6(4bH)-trione; 2H-5,3',2':4,10]anthra[9,1-bc]oxepin-2,9,12-trione, 2a,3,4,4a,5,6,7,8a,12b,12c-decahydro-6-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401005	.	.	.	.	354.4	C21H22O5	69.7	807	1.8	26	0	5	0	"InChI=1S/C21H22O5/c1-8-7-25-19-16-12(22)4-5-13(23)17(16)20-15-11(21(24)26-20)6-9-2-3-10(8)14(9)18(15)19/h4-5,8-11,14-15,18-20H,2-3,6-7H2,1H3"	CC1COC2C3C4C1CCC4CC5C3C(C6=C2C(=O)C=CC6=O)OC5=O	SBDBJWBHRZQCQD-UHFFFAOYSA-N
DG52558	"Phenaleno[1,9-fg]quinoline"	344235	"Phenaleno[1,9-fg]quinoline; 189-89-9; Pyreno[2,1-b]pyridine; NSC401030; CHEMBL1991210; DTXSID90322344; ZINC1593777; NSC-401030; NCI60_003754; DS-012150"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401030	.	.	.	.	253.3	C19H11N	12.9	378	5.4	20	0	1	0	InChI=1S/C19H11N/c1-3-12-6-7-14-11-17-15(5-2-10-20-17)16-9-8-13(4-1)18(12)19(14)16/h1-11H	C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC=N5)C=C2	VYJCOVWIXYZRQK-UHFFFAOYSA-N
DG52559	N-[2-oxo-2-(2-phenylhydrazinyl)ethyl]-1-phenylmethanesulfonamide	344245	MLS003171492; 7475-18-5; NSC401044; CHEMBL1984870; DTXSID60322351; ZINC1593784; NSC-401044; NCI60_003756; SMR001875377	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401044	.	.	.	.	319.4	C15H17N3O3S	95.7	435	2.6	22	3	5	7	"InChI=1S/C15H17N3O3S/c19-15(18-17-14-9-5-2-6-10-14)11-16-22(20,21)12-13-7-3-1-4-8-13/h1-10,16-17H,11-12H2,(H,18,19)"	C1=CC=C(C=C1)CS(=O)(=O)NCC(=O)NNC2=CC=CC=C2	DXCUNBGVJKJJGW-UHFFFAOYSA-N
DG52560	"2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(1H-indol-3-yl)-propionic acid"	344265	"32675-71-1; NSC401077; 2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(1H-indol-3-yl)-propionic acid; 2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid; MLS000757170; CHEMBL383475; NSC-401077; 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid; SMR000413613; DNA Methyltransferase Inhibitor; NSC 401077; (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid; MFCD08705332; Oprea1_410805; Oprea1_475901; (Rac)-RG108; MLS000777218; MLS006011919; SCHEMBL562060; 2-(1,3-dioxoisoindolin-2-yl)-3-(1H-indol-3-yl)propanoic acid; HMS1762H13; HMS2752N14; HMS3426M03; BDBM50180790; MFCD00379702; STK724063; AKOS001035895; AKOS016340696; ES-0018; MCULE-9446134990; SB19339; 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid; NCI60_003759; DS-003198; CS-0137819; EU-0040737; SR-01000456137; SR-01000456137-1; Z56804250; 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401077	.	.	.	.	334.3	C19H14N2O4	90.5	554	2.6	25	2	4	4	"InChI=1S/C19H14N2O4/c22-17-13-6-1-2-7-14(13)18(23)21(17)16(19(24)25)9-11-10-20-15-8-4-3-5-12(11)15/h1-8,10,16,20H,9H2,(H,24,25)"	C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CNC4=CC=CC=C43)C(=O)O	HPTXLHAHLXOAKV-UHFFFAOYSA-N
DG52561	"3,7-Dimethylnaphthalene-1,2-dione"	344295	"7475-01-6; 3,7-dimethylnaphthalene-1,2-dione; NSC401130; CHEMBL1968964; SCHEMBL10604748; DTXSID90322384; 3,7-dimethyl-[1,2]naphthoquinone; ZINC1593856; NSC-401130; NCI60_003761"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401130	.	.	.	.	186.21	C12H10O2	34.1	314	2.2	14	0	2	0	"InChI=1S/C12H10O2/c1-7-3-4-9-6-8(2)11(13)12(14)10(9)5-7/h3-6H,1-2H3"	CC1=CC2=C(C=C1)C=C(C(=O)C2=O)C	SJOKRUOFICLCJY-UHFFFAOYSA-N
DG52562	4-Phenyliminonaphthalen-1-one	344314	"7512-49-4; 4-phenyliminonaphthalen-1-one; NSC401166; (4E)-4-(phenylimino)naphthalen-1(4H)-one; CHEMBL1969471; SCHEMBL10949681; DTXSID60322396; 1,4-naphthoquinone-4-phenylimine; N-Phenyl-1,4-naphthoquinone imine; ZINC17749510; ZINC104250318; NSC-401166; NCI60_003762; DS-015380"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401166	.	.	.	.	233.26	C16H11NO	29.4	377	3.9	18	0	2	1	InChI=1S/C16H11NO/c18-16-11-10-15(13-8-4-5-9-14(13)16)17-12-6-2-1-3-7-12/h1-11H	C1=CC=C(C=C1)N=C2C=CC(=O)C3=CC=CC=C23	QLVZBXFOEUEIOZ-UHFFFAOYSA-N
DG52563	4-[Hydroxy(diphenyl)methyl]naphthalen-1-ol	344348	NSC401210; CHEMBL1991894; SCHEMBL14580918; ZINC5699396; NSC-401210	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401210	.	.	.	.	326.4	C23H18O2	40.5	404	5.1	25	2	2	3	"InChI=1S/C23H18O2/c24-22-16-15-21(19-13-7-8-14-20(19)22)23(25,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16,24-25H"	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C4=CC=CC=C43)O)O	IUMOCCIEKFOXCO-UHFFFAOYSA-N
DG52564	"5-(Phenylhydrazinylidene)cyclohepta-3,6-diene-1,2-dione"	344925	"MLS000757173; NSC-402083; 3144-55-6; SMR000529029; NSC402083; 5-(Phenyldiazenyl)tropolone; 5-(phenylhydrazinylidene)cyclohepta-3,6-diene-1,2-dione; CHEMBL1546228; SCHEMBL10616379; BDBM55044; cid_5385255; DTXSID20419655; HMS2862A14; ZINC18166466; ZINC104251602; 5-(phenylhydrazono)cyclohepta-3,6-diene-1,2-quinone; (E)-2-hydroxy-5-(phenyldiazenyl)cyclohepta-2,4,6-trien-1-one; 2-hydroxy-5-[(E)-phenyldiazenyl]-2,4,6-cycloheptatrien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	402083	.	.	.	.	226.23	C13H10N2O2	62	413	3.2	17	1	4	2	"InChI=1S/C13H10N2O2/c16-12-8-6-11(7-9-13(12)17)15-14-10-4-2-1-3-5-10/h1-9H,(H,16,17)"	C1=CC=C(C=C1)N=NC2=CC=C(C(=O)C=C2)O	LWPCHBVDMXCYNP-UHFFFAOYSA-N
DG52565	"3,8-Dibenzyl-2,4,7,9-tetrahydro-[1,3]oxazino[5,6-h][1,3]benzoxazine"	344936	"NSC402109; ZINC1594599; NSC-402109; 2H,2-e:4,3-e]bis[1,3]oxazine, 3,8-dibenzyl-3,4,7,8-tetrahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	402109	.	.	.	.	372.5	C24H24N2O2	24.9	445	4.3	28	0	4	4	"InChI=1S/C24H24N2O2/c1-3-7-19(8-4-1)13-25-15-21-11-12-22-16-26(14-20-9-5-2-6-10-20)18-28-24(22)23(21)27-17-25/h1-12H,13-18H2"	C1C2=C(C3=C(CN(CO3)CC4=CC=CC=C4)C=C2)OCN1CC5=CC=CC=C5	AOZNAIBBITZLIO-UHFFFAOYSA-N
DG52566	"2,2-Dibromo-3,4-dihydronaphthalen-1(2H)-one"	345009	"51114-70-6; 2,2-dibromo-3,4-dihydronaphthalen-1-one; 2,2-Dibromo-3,4-dihydronaphthalen-1(2H)-one; NSC402209; SCHEMBL4324609; DTXSID80322873; ZINC5700587; MFCD30530491; NSC-402209; 1(2H)-Naphthalenone,2-dibromo-3,4-dihydro-; F31370"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	402209	.	.	.	.	303.98	C10H8Br2O	17.1	225	3.6	13	0	1	0	"InChI=1S/C10H8Br2O/c11-10(12)6-5-7-3-1-2-4-8(7)9(10)13/h1-4H,5-6H2"	C1CC(C(=O)C2=CC=CC=C21)(Br)Br	XJUWICWPKZOCJP-UHFFFAOYSA-N
DG52567	"4-[(4-Bromophenyl)diazenyl]benzene-1,3-diol"	345174	MLS000757176; 32919-00-9; NSC402590; CHEMBL1429241; DTXSID70421021; ZINC18153861; ZINC102533699; NSC-402590; SMR000529030	.	.	Investigative Drug(s)	Investigative	Small molecular drug	402590	.	.	.	.	293.12	C12H9BrN2O2	65.2	267	3.7	17	2	4	2	"InChI=1S/C12H9BrN2O2/c13-8-1-3-9(4-2-8)14-15-11-6-5-10(16)7-12(11)17/h1-7,16-17H"	C1=CC(=CC=C1N=NC2=C(C=C(C=C2)O)O)Br	JXDXGMHMDHIKCO-UHFFFAOYSA-N
DG52568	"N-(3,5-dibenzhydryl-2-methylphenyl)acetamide"	345248	NSC402717; ZINC5700907; NSC-402717	.	.	Investigative Drug(s)	Investigative	Small molecular drug	402717	.	.	.	.	481.6	C35H31NO	29.1	643	8.2	37	1	1	7	"InChI=1S/C35H31NO/c1-25-32(35(29-19-11-5-12-20-29)30-21-13-6-14-22-30)23-31(24-33(25)36-26(2)37)34(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h3-24,34-35H,1-2H3,(H,36,37)"	CC1=C(C=C(C=C1NC(=O)C)C(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5	UCUKAMKBWQGRMY-UHFFFAOYSA-N
DG52569	Deoxypodophyllotoxin	345501	"Deoxypodophyllotoxin; 19186-35-7; Anthricin; (-)-Deoxypodophyllotoxin; Desoxypodophyllotoxin; Silicicolin; Hernandin; Hernandion; 4-Deoxypodophyllotoxin; (-)-Anthricin; NSC403148; CHEBI:4429; (-)-Desoxypodophyllotoxin; Isodeoxypodophyllotoxin; Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR)-; C22H22O7; UNII-45NR8XYU1L; 45NR8XYU1L; MLS002702900; Anthriscin; (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one; (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one; CHEMBL63970; SCHEMBL987840; Podophyllotoxin, 7CI, 8CI); DTXSID701019944; EX-A2905; HY-N2500; ZINC1575139; AKOS032948828; NSC-403148; AC-34638; NCI60_003794; CS-0022771; W1846; J-501619; Q27106380; (10R,11R,15R)-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.03,7,011,15]hexadeca-1(9),2,7-trien-12-one; (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one; (5R,5aR,8aR)-5-(3,4,5-Trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5a)-one; 100348-38-7; 5,8,8a,9,-Tetrahydro-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-,(5R,5aR,8aR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403148	.	.	.	.	398.4	C22H22O7	72.4	598	3.1	29	0	7	4	"InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19+,20-/m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O	ZGLXUQQMLLIKAN-SVIJTADQSA-N
DG52570	Acronine	345512	"Acronine; ACRONYCINE; 7008-42-6; Compound 42339; Acromycine; NCI-C01536; NSC 403169; CHEBI:2437; UNII-QE0G097358; 6-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one; NSC403169; MLS003171532; 3,12-Dihydro-6-methoxy-3,3,12-trimethyl-7H-pyrano(2,3-c)acridin-7-one; 6-Methoxy-3,3,12-trimethyl-3,12-dihydro-7H-pyrano[2,3-c]acridin-7-one; 7H-Pyrano[2,3-c]acridin-7-one, 3,12-dihydro-6-methoxy-3,3,12-trimethyl-; NSC-403169; QE0G097358; Acronina; Acroninum; Acronine [USAN:INN]; Acroninum [INN-Latin]; Acronina [INN-Spanish]; CCRIS 6; 3,12-dihydro-6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-one; 3,3,12-trimethyl-6-(methyloxy)-3,12-dihydro-7H-pyrano[2,3-c]acridin-7-one; 7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6-methoxy-3,3,12-trimethyl-; 7H-Pyrano[2,3-c]acridin-7-one,3,12-dihydro-6-methoxy-3,3,12-trimethyl-; HSDB 7073; BRN 0312954; Acronine (TN); Acronine (USAN/INN); SCHEMBL11499; 4-27-00-03622 (Beilstein Handbook Reference); CHEMBL285852; DTXSID0020026; ZINC4098812; BDBM50480253; NCI60_003795; SMR001875415; D02378; 3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-one; 3,6,12-trimethyl-7H-pyrano[2,3-c]acridin-7-one; Q15633955; 6-methoxy-3,3,12-trimethyl-pyrano[2,3-c]acridin-7-one; 7H-Pyrano[2, 3,12-dihydro-6-methoxy-3,3,12-trimethyl-; 7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6-methoxy-3,3,12-trimethyl; 3,12-dihydro-6-methoxy-3,3,12-trimethyl-7h -pyrano-[2,3-c]acridine-7-one; 3,12-Dihydro-6-methoxy-6,6,12-trimethyl-7H-pyrano(2,3-c)acridin-7-one (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403169	.	.	.	.	321.4	C20H19NO3	38.8	543	3.7	24	0	4	1	"InChI=1S/C20H19NO3/c1-20(2)10-9-13-15(24-20)11-16(23-4)17-18(13)21(3)14-8-6-5-7-12(14)19(17)22/h5-11H,1-4H3"	CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C	SMPZPKRDRQOOHT-UHFFFAOYSA-N
DG52571	3-[1H-indol-3-yl-(4-nitrophenyl)methyl]-1H-indole	345521	"7501-91-9; STK521919; 3-[1H-indol-3-yl-(4-nitrophenyl)methyl]-1H-indole; NSC403186; CHEMBL1995195; SCHEMBL21399724; DTXSID10323151; ZINC4953317; AKOS000358287; MCULE-5918776316; NSC-403186; NCI60_003796; 3,3'-(4-Nitrobenzylidene)di(1H-indole); 3,3'-((4-nitrophenyl)methylene)bis(1h-indole); [4-[bis(1H-indol-3-yl)methyl]phenyl]azinic acid; 3,3'-[(4-nitrophenyl)methanediyl]bis(1H-indole)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403186	.	.	.	.	367.4	C23H17N3O2	77.4	525	5.4	28	2	2	3	"InChI=1S/C23H17N3O2/c27-26(28)16-11-9-15(10-12-16)23(19-13-24-21-7-3-1-5-17(19)21)20-14-25-22-8-4-2-6-18(20)22/h1-14,23-25H"	C1=CC=C2C(=C1)C(=CN2)C(C3=CC=C(C=C3)[N+](=O)[O-])C4=CNC5=CC=CC=C54	OESZGFYDUDJFLN-UHFFFAOYSA-N
DG52572	((4-Isothiocyanatophenyl)thio)acetic acid	345648	NSC403376; 7501-98-6; NSC-403376; ((4-isothiocyanatophenyl)thio)acetic acid; NCIStruc1_000676; NCIStruc2_001061; CHEMBL1447527; DTXSID70323218; ZINC1595622; CCG-37811; NCGC00014897; NCI403376; NCGC00014897-02; NCGC00097998-01; NCI60_003800	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403376	.	.	.	.	225.3	C9H7NO2S2	107	243	3.4	14	1	5	4	"InChI=1S/C9H7NO2S2/c11-9(12)5-14-8-3-1-7(2-4-8)10-6-13/h1-4H,5H2,(H,11,12)"	C1=CC(=CC=C1N=C=S)SCC(=O)O	HLGOGEXQKKWISO-UHFFFAOYSA-N
DG52573	"2,3,5,6-tetrahydroxy-4-methoxy-N'-phenylhexanehydrazide"	345720	"7404-33-3; NSC403468; 4-Methylmannonic phenylhydrazide; CHEMBL1982342; 2,3,5,6-tetrahydroxy-4-methoxy-N'-phenylhexanehydrazide; DTXSID50323271; NSC-403468; NCI60_003802"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403468	.	.	.	.	300.31	C13H20N2O6	131	311	-0.7	21	6	7	8	"InChI=1S/C13H20N2O6/c1-21-12(9(17)7-16)10(18)11(19)13(20)15-14-8-5-3-2-4-6-8/h2-6,9-12,14,16-19H,7H2,1H3,(H,15,20)"	COC(C(CO)O)C(C(C(=O)NNC1=CC=CC=C1)O)O	HYXALBNMTPMXOQ-UHFFFAOYSA-N
DG52574	"Benzophenone, 3,4,5-trimethoxy-2'-methyl-4',5'-methylenedioxy-"	345759	"MLS003171544; SMR001875427; Benzophenone, 3,4,5-trimethoxy-2'-methyl-4',5'-methylenedioxy-; NSC403529; cid_345759; CHEMBL2144833; BDBM97357; ZINC1595954; (6-methyl-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methanone; NSC-403529; Benzophenone,4,5-trimethoxy-2'-methyl-4',5'-methylenedioxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403529	.	.	.	.	330.3	C18H18O6	63.2	427	3.4	24	0	6	5	"InChI=1S/C18H18O6/c1-10-5-13-14(24-9-23-13)8-12(10)17(19)11-6-15(20-2)18(22-4)16(7-11)21-3/h5-8H,9H2,1-4H3"	CC1=CC2=C(C=C1C(=O)C3=CC(=C(C(=C3)OC)OC)OC)OCO2	BEUWRYNNEKNVFK-UHFFFAOYSA-N
DG52575	p-Bromophenacyl benzoate	345792	"p-Bromophenacyl benzoate; 2-(4-Bromophenyl)-2-oxoethyl benzoate; Ethanone, 2-(benzoyloxy)-1-(4-bromophenyl)-; 7506-12-9; CBDivE_001702; MLS000561005; Benzoic acid 2-(4-bromo-phenyl)-2-oxo-ethyl ester; CHEMBL1556166; DTXSID30323315; HMS2499C24; ZINC270580; NSC403572; STK386188; AKOS000674601; MCULE-9163146782; NSC-403572; NCI60_003805; SMR000173773; 2-(4-Bromophenyl)-2-oxoethyl benzoate #; Acetophenone, 4'-bromo-2-hydroxy-, benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403572	.	.	.	.	319.15	C15H11BrO3	43.4	315	3.9	19	0	3	5	"InChI=1S/C15H11BrO3/c16-13-8-6-11(7-9-13)14(17)10-19-15(18)12-4-2-1-3-5-12/h1-9H,10H2"	C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br	VTEGMTYLKZOVGZ-UHFFFAOYSA-N
DG52576	1-Bis(4-chlorophenoxy)phosphorylaziridine	345885	NSC403801; CHEMBL2006672; ZINC1596095; NSC-403801; NCI60_003811	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403801	.	.	.	.	344.1	C14H12Cl2NO3P	38.5	364	3.1	21	0	4	5	"InChI=1S/C14H12Cl2NO3P/c15-11-1-5-13(6-2-11)19-21(18,17-9-10-17)20-14-7-3-12(16)4-8-14/h1-8H,9-10H2"	C1CN1P(=O)(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl	FKWDRQKKGHCZMJ-UHFFFAOYSA-N
DG52577	"1,2-Dinitroso-1,2-dihydroacenaphthylene"	346024	NSC404027; CHEMBL1990728; NSC-404027; NCI60_003820	.	.	Investigative Drug(s)	Investigative	Small molecular drug	404027	.	.	.	.	212.2	C12H8N2O2	58.9	279	1.6	16	0	4	0	"InChI=1S/C12H8N2O2/c15-13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14-16/h1-6,11-12H"	C1=CC2=C3C(=C1)C(C(C3=CC=C2)N=O)N=O	ICUHCVVMFQFUSC-UHFFFAOYSA-N
DG52578	"(1,3,3-Trimethyl-2-bicyclo[2.2.1]heptanyl) 2-aminobenzoate"	346130	NSC404186; CHEMBL1994060; NSC-404186; NCI60_003822	.	.	Investigative Drug(s)	Investigative	Small molecular drug	404186	.	.	.	.	273.37	C17H23NO2	52.3	406	4.6	20	1	3	3	"InChI=1S/C17H23NO2/c1-16(2)11-8-9-17(3,10-11)15(16)20-14(19)12-6-4-5-7-13(12)18/h4-7,11,15H,8-10,18H2,1-3H3"	CC1(C2CCC(C2)(C1OC(=O)C3=CC=CC=C3N)C)C	WSROWZALSNALOL-UHFFFAOYSA-N
DG52579	"6-Nitrotetrazolo[1,5-a]pyridine"	346452	"6-nitrotetrazolo[1,5-a]pyridine; 35235-73-5; NSC404687; CHEMBL1995231; SCHEMBL18023780; DTXSID30323693; ZINC1597526; NSC-404687; 6-nitro-[1,2,3,4]tetrazolo[1,5-a]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	404687	.	.	.	.	165.11	C5H3N5O2	88.9	193	-0.3	12	0	5	0	InChI=1S/C5H3N5O2/c11-10(12)4-1-2-5-6-7-8-9(5)3-4/h1-3H	C1=CC2=NN=NN2C=C1[N+](=O)[O-]	FVSDBFPXGMEACC-UHFFFAOYSA-N
DG52580	[Ethynylenebis(o-phenylene)]bis(boronic acid)	346619	NSC404895; CHEMBL1989154; ZINC195514714; NSC-404895; NCI60_003828; [Ethynylenebis(o-phenylene)]bis(boronic acid)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	404895	.	.	.	.	265.9	C14H12B2O4	80.9	342	.	20	4	4	4	"InChI=1S/C14H12B2O4/c17-15(18)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(19)20/h1-8,17-20H"	B(C1=CC=CC=C1C#CC2=CC=CC=C2B(O)O)(O)O	DSKIOYIXIRNDJS-UHFFFAOYSA-N
DG52581	"3,4-dichloro-N'-phenylbenzohydrazide"	346727	MLS002701724; 7497-13-4; NSC405029; CHEMBL1894220; DTXSID90323871; ZINC1597748; AKOS017051989; NSC-405029; NCI60_003829; SMR001565321	.	.	Investigative Drug(s)	Investigative	Small molecular drug	405029	.	.	.	.	281.13	C13H10Cl2N2O	41.1	282	5.1	18	2	2	3	"InChI=1S/C13H10Cl2N2O/c14-11-7-6-9(8-12(11)15)13(18)17-16-10-4-2-1-3-5-10/h1-8,16H,(H,17,18)"	C1=CC=C(C=C1)NNC(=O)C2=CC(=C(C=C2)Cl)Cl	HXBPZFZVFVWUMI-UHFFFAOYSA-N
DG52582	"2-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile"	346832	"NSC405158; 958-11-2; NCIMech_000505; CHEMBL1988095; DTXSID30323911; CCG-35705; NSC-405158; NCI60_003830; 2,.alpha.-acetonitrile, .alpha.-(p-chlorophenyl)-4-oxo-, oxime"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	405158	.	.	.	.	256.68	C14H9ClN2O	56.4	467	3.1	18	1	3	1	"InChI=1S/C14H9ClN2O/c15-12-5-1-10(2-6-12)14(9-16)11-3-7-13(17-18)8-4-11/h1-8,18H"	C1=CC(=NO)C=CC1=C(C#N)C2=CC=C(C=C2)Cl	CPQMRDWKXUVWAP-UHFFFAOYSA-N
DG52583	"(4-Hydroxyimino-cyclohexa-2,5-dienylidene)-phenyl-acetonitrile"	346833	"888-39-1; 2-(4-(Hydroxyimino)cyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile; STK664680; (4-Hydroxyimino-cyclohexa-2,5-dienylidene)-phenyl-acetonitrile; [4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene](phenyl)acetonitrile; NSC405159; Cyto4C10; Maybridge1_004212; SCHEMBL7680723; HMS553H12; DTXSID90323912; ZINC4335597; 2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile; CCG-55699; AKOS001028723; AKOS003238389; MCULE-1117028723; MCULE-6002624054; NSC-405159; CS-0316985; SR-01000644713-1; 2,.alpha.-acetonitrile, 4-oxo-.alpha.-phenyl-, oxime; (2E)-[(4E)-4-(hydroxyimino)cyclohexa-2,5-dien-1-ylidene](phenyl)ethanenitrile; (2Z)-[(4Z)-4-(hydroxyimino)cyclohexa-2,5-dien-1-ylidene](phenyl)acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	405159	.	.	.	.	222.24	C14H10N2O	56.4	436	2.5	17	1	3	1	"InChI=1S/C14H10N2O/c15-10-14(11-4-2-1-3-5-11)12-6-8-13(16-17)9-7-12/h1-9,17H"	C1=CC=C(C=C1)C(=C2C=CC(=NO)C=C2)C#N	CEQPEKHLBZNDQM-UHFFFAOYSA-N
DG52584	"2-(4-Hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-(4-methoxyphenyl)acetonitrile"	346838	"3122-39-2; 2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-(4-methoxyphenyl)acetonitrile; NSC405166; Cyto9E5; Maybridge1_007447; MLS000861804; SCHEMBL7705863; CHEMBL1367860; CHEMBL4557673; HMS562K11; DTXSID70323915; HMS2803M10; ZINC4377509; CCG-256483; MCULE-8748965328; NSC-405166; SMR000460588; (4-Hydroxyimino-cyclohexa-2,5-dienylidene)-(4-methoxyphenyl)-acetonitrile; 2-[4-(hydroxyimino)cyclohexa-2,5-dien-1-ylidene]-2-(4-methoxyphenyl)acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	405166	.	.	.	.	252.27	C15H12N2O2	65.6	480	2.4	19	1	4	2	"InChI=1S/C15H12N2O2/c1-19-14-8-4-12(5-9-14)15(10-16)11-2-6-13(17-18)7-3-11/h2-9,18H,1H3"	COC1=CC=C(C=C1)C(=C2C=CC(=NO)C=C2)C#N	CDNLWJKHJRCMDV-UHFFFAOYSA-N
DG52585	"3-Benzyl-1,3-dihydroindol-2-one"	347328	"3-benzyl-1,3-dihydroindol-2-one; 7511-08-2; 3-Benzylindolin-2-one; 1,3-Dihydro-3-(phenylmethyl)-2H-indol-2-one; NSC405962; 3-Benzylindoline-2-one; Maybridge3_002827; MLS000858738; SCHEMBL7825637; CHEMBL1370026; DTXSID20324174; HMS1439A11; HMS2792M12; AS-0338; MCULE-7173032139; NSC-405962; SB65569; 3-benzyl-1,3-dihydro-2H-indol-2-one; 3-benzyl-2,3-dihydro-1H-indol-2-one; IDI1_014214; NCI60_003844; SMR000458817; 3-Phenylmethyl-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	405962	.	.	.	.	223.27	C15H13NO	29.1	283	2.8	17	1	1	2	"InChI=1S/C15H13NO/c17-15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)16-15/h1-9,13H,10H2,(H,16,17)"	C1=CC=C(C=C1)CC2C3=CC=CC=C3NC2=O	SJEHQYIHAFTLMS-UHFFFAOYSA-N
DG52586	Allocolchicine	347381	"Allocolchicine; CHEMBL52480; MLS002702901; Allocolchicin; Alkaloid K-3; SCHEMBL13840934; 5H-Dibenzo(a,c)cycloheptene-3-carboxylic acid, 6,7-dihydro-5-(acetylamino)-9,10,11-trimethoxy-, methyl ester, (S)-; BDBM50409016; NSC406042; NSC-406042; NCI60_003850; SMR001566718; Dibenzo[b,d]cycloheptamine, N-acetyl-1,2,3-trimethoxy-9-carbmethoxy-; Methyl 5-(acetylamino)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-3-carboxylate #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	406042	.	.	.	.	399.4	C22H25NO6	83.1	584	2.9	29	1	6	6	"InChI=1S/C22H25NO6/c1-12(24)23-17-9-7-13-11-18(26-2)20(27-3)21(28-4)19(13)15-8-6-14(10-16(15)17)22(25)29-5/h6,8,10-11,17H,7,9H2,1-5H3,(H,23,24)"	CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)C(=O)OC)OC)OC)OC	NMKUAEKKJQYLHK-UHFFFAOYSA-N
DG52587	"N,O-Diacetyljervine"	347578	"N,O-Diacetyljervine; NSC406352; (4'-acetyl-3',6',10,11b-tetramethyl-11-oxospiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-yl) acetate; 7622-06-2; NSC-406352; CHEMBL1978258; DTXSID20997569; NCI60_003854; 28-Acetyl-11-oxo-17,23-epoxyveratraman-3-yl acetate; Veratraman-11-one,23-epoxy-, (3.beta.,23.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	406352	.	.	.	.	509.7	C31H43NO5	72.9	1110	3.4	37	0	5	2	"InChI=1S/C31H43NO5/c1-16-13-25-28(32(15-16)19(4)33)18(3)31(37-25)12-10-23-24-8-7-21-14-22(36-20(5)34)9-11-30(21,6)27(24)29(35)26(23)17(31)2/h7,16,18,22-25,27-28H,8-15H2,1-6H3"	CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)OC(=O)C)C)N(C1)C(=O)C	AETQSOZEKYWGIJ-UHFFFAOYSA-N
DG52588	N'-phenylbenzenesulfonohydrazide	347804	"N'-phenylbenzenesulfonohydrazide; 6596-69-6; NSC406666; SCHEMBL7123611; CHEMBL1976823; DTXSID30984440; ZINC1599350; N-phenyl-N'-benzenesulfonylhydrazine; 1-Phenyl-2-(phenylsulfonyl)hydrazine; Benzenesulfonic acid, 2-phenylhydrazide; NSC-406666; NCI60_003861"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	406666	.	.	.	.	248.3	C12H12N2O2S	66.6	312	2.8	17	2	4	4	"InChI=1S/C12H12N2O2S/c15-17(16,12-9-5-2-6-10-12)14-13-11-7-3-1-4-8-11/h1-10,13-14H"	C1=CC=C(C=C1)NNS(=O)(=O)C2=CC=CC=C2	NLEOEXCPIKOHJB-UHFFFAOYSA-N
DG52589	"3,3-Bis-(4-hydroxy-phenyl)-3h-benzo{de}isochromen-1-one"	348092	"5627-39-4; 3,3-bis-(4-hydroxy-phenyl)-3h-benzo{de}isochromen-1-one; CHEMBL67836; 3,3-Bis-(4-hydroxy-phenyl)-3H-benzo[de]isochromen-1-one; 3,3-Bis(4-hydroxyphenyl)benzo[de]isochromen-1(3H)-one; 1H,3H-Naphtho[1,8-cd]pyran-1-one, 3,3-bis(4-hydroxyphenyl)-; 4,4-bis(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-one; NSC407135; Phenol-1,8-naphthalein; DTXSID70324588; ZINC5742707; BDBM50077848; AKOS024257943; NSC-407135; 3,3-bis-(4-hydroxyphenyl)-3h-benzo{de}isochromen-1-one; 3,3-Bis(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one; 3,3-BIS-(4-HYDROXY-PHENYL)-3H-BENZO{DEISOCHROMEN-1-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407135	.	.	.	.	368.4	C24H16O4	66.8	551	5.1	28	2	4	2	"InChI=1S/C24H16O4/c25-18-11-7-16(8-12-18)24(17-9-13-19(26)14-10-17)21-6-2-4-15-3-1-5-20(22(15)21)23(27)28-24/h1-14,25-26H"	C1=CC2=C3C(=C1)C(=O)OC(C3=CC=C2)(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O	JCXWFZRDEFLLDH-UHFFFAOYSA-N
DG52590	4-oxo-2-phenyl-1H-quinoline-3-carbaldehyde	348143	NSC407260; 7509-16-2; CHEMBL1973566; SCHEMBL18079065; DTXSID10324623; ZINC5479739; NSC-407260; NCI60_003867	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407260	.	.	.	.	249.26	C16H11NO2	46.2	407	2.9	19	1	3	2	"InChI=1S/C16H11NO2/c18-10-13-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(14)16(13)19/h1-10H,(H,17,19)"	C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3N2)C=O	ZQEGAPPIYYSYCW-UHFFFAOYSA-N
DG52591	"[5-(5-Fluoro-2,4-dioxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] acetate"	348175	"NSC407335; Neuro_000222; CHEMBL1992368; SCHEMBL13026818; NSC-407335; NCI60_003883; [5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407335	.	.	.	.	288.23	C11H13FN2O6	105	480	-1.1	20	2	7	4	"InChI=1S/C11H13FN2O6/c1-5(16)19-7-2-9(20-8(7)4-15)14-3-6(12)10(17)13-11(14)18/h3,7-9,15H,2,4H2,1H3,(H,13,17,18)"	CC(=O)OC1CC(OC1CO)N2C=C(C(=O)NC2=O)F	PRIOYEZNDKYFSU-UHFFFAOYSA-N
DG52592	"4b,10b,11,12-Tetrahydro-6(5H)-chrysenone"	348345	"NSC407613; 4b,10b,11,12-Tetrahydro-6(5H)-chrysenone; 7496-05-1; 5,10b,11,12-tetrahydro-4bH-chrysen-6-one; CHEMBL1993947; DTXSID50964163; NSC 407613; NSC-407613; NCI60_003888; 4b,10b,11,12-Tetrahydrochrysen-6(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407613	.	.	.	.	248.3	C18H16O	17.1	361	3.8	19	0	1	0	"InChI=1S/C18H16O/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-8,15,17H,9-11H2"	C1CC2=CC=CC=C2C3C1C4=CC=CC=C4C(=O)C3	IMCFKEKBLFADHG-UHFFFAOYSA-N
DG52593	Gitoxigenin	348482	"Gitoxigenin; 545-26-6; 16beta-Hydroxydigitoxigenin; UNII-G36K2H8SME; G36K2H8SME; 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide; 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; CHEBI:38105; NSC407807; NSC 407807; SR-05000002231; 16.beta.-Hydroxydigitoxigenin; 16.beta.-Hydroxydisitoxigenin; 16beta-Hydroxydisitoxigenin; 16-beta-Hydroxydigitoxigenin; NSC-407807; EINECS 208-886-2; BRN 0096483; 3-beta,14,16-Trioxycarden-(20:22)-olid; 3-beta,14,16-Trioxy-digen-(20:22)-olid; 5-18-04-00385 (Beilstein Handbook Reference); SCHEMBL644087; 3-beta,14,16-Trioxy-digen-(20:22)-olid [German]; 3-beta,14,16-Trioxycarden-(20:22)-olid [German]; CARDOGENEN-(20:22)-TRIOL-(3-beta,14,16); CHEMBL464658; MEGxp0_001900; Cardogenen-(20:22)-triol-(3-beta,14,16) [German]; DTXSID20878642; BDBM225705; CS334; delta(20,22)-2,14,16,21-tetrahydroxynorcholenic acid lactone; ZINC3978407; 3-beta,14,16-beta-Trihydroxy-5-beta,14-beta-card-20(22)-enolide; LMST01120003; AKOS030490030; Card-20(22)-enolide, 3,14,16-trihydroxy-, (3-beta,5-beta,16-beta)-; CCG-208473; MCULE-7353523388; NCI60_003893; Q1527718; SR-05000002231-2; SR-05000002231-3; 5.beta.-Card-20(22)-enolide,14,16.beta.-trihydroxy-; .delta.(20,14,16,21-(Tetrahydroxy)norcholenic acid lactone; .delta.20,14,16,21-(Tetrahydroxy)norcholenic acid lactone; 5-beta-CARD-20(22)-ENOLIDE, 3-beta,14,16-beta-TRIHYDROXY-; 5beta-Card-20(22)-enolide, 3beta,14,16beta-trihydroxy- (8CI); Card-20(22)-enolide,14,16-trihydroxy-, (3.beta.,5.beta.,16.beta.)-; Card-20(22)-enolide, 3,14,16-trihydroxy-, (3beta,5beta,16beta)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407807	.	.	.	.	390.5	C23H34O5	87	718	1.6	28	3	5	1	"InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21+,22-,23+/m1/s1"	C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)O)O)C)O	PVAMXWLZJKTXFW-VQMOFDJESA-N
DG52594	"Card-20(22)-enolide, (3beta,5alpha)-"	348483	"Uzarin; NSC407809; SCHEMBL702464; NSC-407809; NCI60_003895; Card-20(22)-enolide, (3.beta.,5.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407809	.	.	.	.	698.8	C35H54O14	225	1260	-0.5	49	8	14	7	"InChI=1S/C35H54O14/c1-33-8-5-18(47-32-30(43)28(41)26(39)23(49-32)15-46-31-29(42)27(40)25(38)22(13-36)48-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(37)45-14-16/h11,17-23,25-32,36,38-44H,3-10,12-15H2,1-2H3"	CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O	COIUWGNHAYDCDZ-UHFFFAOYSA-N
DG52595	2-[(Dimethylcarbamothioyl)sulfanyl]acetamide	348488	NSC407820; 816-75-1; CHEMBL2005611; DTXSID10324840; ZINC1600099; NSC 407820; NSC-407820; NCI60_003899; 2-[(DIMETHYLCARBAMOTHIOYL)SULFANYL]ACETAMIDE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407820	.	.	.	.	178.3	C5H10N2OS2	104	147	0.2	10	1	3	3	"InChI=1S/C5H10N2OS2/c1-7(2)5(9)10-3-4(6)8/h3H2,1-2H3,(H2,6,8)"	CN(C)C(=S)SCC(=O)N	YVDBHZMPCSXUHG-UHFFFAOYSA-N
DG52596	Ethyl 3-(4-nitrophenyl)prop-2-ynoate	348719	35283-08-0; ethyl 3-(4-nitrophenyl)prop-2-ynoate; ethyl 3-(4-nitrophenyl)propiolate; (4-NITRO-PHENYL)-PROPYNOIC ACID ETHYL ESTER; ethyl 3-(4-nitrophenyl)-2-propynoate; ethyl 3-{4-nitrophenyl}-2-propynoate; NSC408181; Athyl-p-nitrophenylpropiolat; Oprea1_490083; SCHEMBL6136558; CHEMBL1986121; DTXSID00325008; ethyl 3-(4-nitrophenyl)propynoate; ZINC4128019; MCULE-7043158669; NSC-408181; (4-Nitrophenyl)propynoic acid ethyl ester; NCI60_003910; AE-562/12222817	.	.	Investigative Drug(s)	Investigative	Small molecular drug	408181	.	.	.	.	219.19	C11H9NO4	72.1	325	2.6	16	0	4	3	"InChI=1S/C11H9NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-4,6-7H,2H2,1H3"	CCOC(=O)C#CC1=CC=C(C=C1)[N+](=O)[O-]	VOFGHYIUFUAZQO-UHFFFAOYSA-N
DG52597	"2-Methylbenzo[c]phenanthrene;2,4,7-trinitrofluoren-9-one"	348728	NSC408191; 17033-68-0; CHEMBL1974984; DTXSID30325016; NSC-408191; NCI60_003911	.	.	Investigative Drug(s)	Investigative	Small molecular drug	408191	.	.	.	.	557.5	C32H19N3O7	155	883	.	42	0	7	0	"InChI=1S/C19H14.C13H5N3O7/c1-13-6-7-15-9-11-16-10-8-14-4-2-3-5-17(14)19(16)18(15)12-13;17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23/h2-12H,1H3;1-5H"	CC1=CC2=C(C=C1)C=CC3=C2C4=CC=CC=C4C=C3.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]	BNNCLPZSQRXCMZ-UHFFFAOYSA-N
DG52598	"N-[7-(2,5-dioxopyrrol-1-yl)-9H-fluoren-2-yl]-2,2,2-trifluoroacetamide"	348883	NSC408383; CHEMBL1977215; ZINC1600551; NSC-408383; NCI60_003915	.	.	Investigative Drug(s)	Investigative	Small molecular drug	408383	.	.	.	.	372.3	C19H11F3N2O3	66.5	672	3	27	1	6	2	"InChI=1S/C19H11F3N2O3/c20-19(21,22)18(27)23-12-1-3-14-10(8-12)7-11-9-13(2-4-15(11)14)24-16(25)5-6-17(24)26/h1-6,8-9H,7H2,(H,23,27)"	C1C2=C(C=CC(=C2)NC(=O)C(F)(F)F)C3=C1C=C(C=C3)N4C(=O)C=CC4=O	SELHQQIYNGYUCH-UHFFFAOYSA-N
DG52599	2-Formamido-9-fluorenone	349152	NSC408726; CHEMBL1998839; SCHEMBL14418355; 2-FORMAMIDO-9-FLUORENONE; ZINC393704; AKOS024332260; MCULE-8976834922; NSC-408726; NCI60_003925	.	.	Investigative Drug(s)	Investigative	Small molecular drug	408726	.	.	.	.	223.23	C14H9NO2	46.2	328	2.8	17	1	2	1	"InChI=1S/C14H9NO2/c16-8-15-9-5-6-11-10-3-1-2-4-12(10)14(17)13(11)7-9/h1-8H,(H,15,16)"	C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)NC=O	VERIQMZSHJWSCP-UHFFFAOYSA-N
DG52600	8-Methoxy-10-oxido-5-oxophenazin-5-ium-2-carbonitrile	349513	NSC409304; CHEMBL1972571; ZINC5541058; NSC-409304	.	.	Investigative Drug(s)	Investigative	Small molecular drug	409304	.	.	.	.	267.24	C14H9N3O3	79.4	446	1	20	0	5	1	"InChI=1S/C14H9N3O3/c1-20-10-3-5-12-14(7-10)17(19)13-6-9(8-15)2-4-11(13)16(12)18/h2-7H,1H3"	COC1=CC2=C(C=C1)[N+](=O)C3=C(N2[O-])C=C(C=C3)C#N	LSKCHGRSCQXJHA-UHFFFAOYSA-N
DG52601	"2-[(4,5-Dimethyl-1,3-thiazol-2-yl)sulfanyl]-6-nitro-1,3-benzothiazole"	351151	NSC519153; ZINC1604740; NSC-519153	.	.	Investigative Drug(s)	Investigative	Small molecular drug	519153	.	.	.	.	323.4	C12H9N3O2S3	153	381	4.8	20	0	7	2	"InChI=1S/C12H9N3O2S3/c1-6-7(2)18-11(13-6)20-12-14-9-4-3-8(15(16)17)5-10(9)19-12/h3-5H,1-2H3"	CC1=C(SC(=N1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C	YRFSZCNINKEDKL-UHFFFAOYSA-N
DG52602	"N-(3,4-dichlorophenyl)glycine"	351250	"N-(3,4-dichlorophenyl)glycine; 65051-17-4; 2-(3,4-dichloroanilino)acetic acid; 2-((3,4-Dichlorophenyl)amino)acetic acid; (3,4-Dichloroanilino)-acetic acid; NSC520114; SCHEMBL733998; 3,4-dichloroanilinoacetic acid; CHEMBL2001087; 3,4-DICHLOROPHENYLGLYCINE; DTXSID60325847; Glycine,n-(3,4-dichlorophenyl)-; ZINC1604852; Glycine, N-(3,4-dichlorophenyl)-; MFCD02255628; STK347168; AKOS000101828; MCULE-8875316618; NSC-520114; (3,4-Dichloro-phenylamino)-acetic acid; NCI60_004262; DS-011144"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	520114	.	.	.	.	220.05	C8H7Cl2NO2	49.3	189	3	13	2	3	3	"InChI=1S/C8H7Cl2NO2/c9-6-2-1-5(3-7(6)10)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)"	C1=CC(=C(C=C1NCC(=O)O)Cl)Cl	BBWWOXQXCLAUKG-UHFFFAOYSA-N
DG52603	3-hydroxy-2-phenylquinazolin-4(3H)-one	351739	"5319-72-2; 3-hydroxy-2-phenylquinazolin-4(3H)-one; 3-hydroxy-2-phenylquinazolin-4-one; 3-hydroxy-2-phenyl-3,4-dihydroquinazolin-4-one; NSC522958; Maybridge1_000926; Oprea1_591419; MLS001143363; CHEMBL1986914; HMS544C02; DTXSID20326037; HMS2785C03; ZINC152707; MFCD00052256; STK222963; AKOS002664641; MCULE-4076104436; NSC-522958; 3-hydroxy-2-phenyl-4(3H)-quinazolinone; NCI60_004272; SMR000473198; 2-Phenyl-3-hydroxyquinazoline-4(3H)-one; 4(3H)-Quinazolinone, 3-hydroxy-2-phenyl-; FT-0615810"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	522958	.	.	.	.	238.24	C14H10N2O2	52.9	361	2	18	1	3	1	"InChI=1S/C14H10N2O2/c17-14-11-8-4-5-9-12(11)15-13(16(14)18)10-6-2-1-3-7-10/h1-9,18H"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2O	MIMZZMIFKADVDD-UHFFFAOYSA-N
DG52604	"1,4-Bis(chloromethyl)-2-nitrobenzene"	352121	"1,4-bis(chloromethyl)-2-nitrobenzene; 16255-50-8; NSC525118; SCHEMBL6017659; CHEMBL1971610; DTXSID20326173; ALBB-026253; ZINC1605844; MFCD13704382; AKOS015998470; NSC-525118; LS-08916; NCI60_004281; Benzene, 1,4-bis(chloromethyl)-2-nitro-; DS-009987; BENZENE,1,4-BIS(CHLOROMETHYL)-2-NITRO-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	525118	.	.	.	.	220.05	C8H7Cl2NO2	45.8	184	2.5	13	0	2	2	"InChI=1S/C8H7Cl2NO2/c9-4-6-1-2-7(5-10)8(3-6)11(12)13/h1-3H,4-5H2"	C1=CC(=C(C=C1CCl)[N+](=O)[O-])CCl	AJBJABQEANMSMG-UHFFFAOYSA-N
DG52605	3-(Hydroxy(oxido)amino)-4-(2-((hydroxy(oxido)amino)oxy)ethoxy)phenylarsonic acid	352200	"UNII-7759NTA9H8; 7759NTA9H8; NSC31815; NSC 31815; 7150-89-2; 3-(Hydroxy(oxido)amino)-4-(2-((hydroxy(oxido)amino)oxy)ethoxy)phenylarsonic acid; [3-nitro-4-(2-nitrooxyethoxy)phenyl]arsonic acid; CHEMBL2008108; ANTINEOPLASTIC-525326; DTXSID90221727; NSC525326; NSC-525326; NCI60_002731; (4-(2-(Nitrooxy)ethoxy)-3-nitrophenyl)arsonic acid; Arsonic acid, (4-(2-(nitrooxy)ethoxy)-3-nitrophenyl)-,; 746540-24-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	31815	.	.	.	.	352.09	C8H9AsN2O9	168	400	.	20	2	9	5	"InChI=1S/C8H9AsN2O9/c12-9(13,14)6-1-2-8(7(5-6)10(15)16)19-3-4-20-11(17)18/h1-2,5H,3-4H2,(H2,12,13,14)"	C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])OCCO[N+](=O)[O-]	DKOFTRQOUMOWGK-UHFFFAOYSA-N
DG52606	"[[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate"	352429	"MLS003389355; SMR002049010; 735-48-8; 2,5-Cyclohexadiene-.delta.(1,.alpha.)-acetonitrile, 4-oxo-.alpha.-phenyl-, O-acetyloxime; NSC526333; cid_352429; CHEMBL1881880; BDBM93531; DTXSID60326293; ZINC5664388; [[4-[cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate; NSC-526333; 2,.alpha.)-acetonitrile, 4-oxo-.alpha.-phenyl-, O-acetyloxime; [[4-[cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] ethanoate; acetic acid [[4-[cyano(phenyl)methylene]cyclohexa-2,5-dien-1-ylidene]amino] ester; acetic acid [[4-[cyano(phenyl)methylidene]-1-cyclohexa-2,5-dienylidene]amino] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	526333	.	.	.	.	264.28	C16H12N2O2	62.4	534	2.6	20	0	4	3	"InChI=1S/C16H12N2O2/c1-12(19)20-18-15-9-7-14(8-10-15)16(11-17)13-5-3-2-4-6-13/h2-10H,1H3"	CC(=O)ON=C1C=CC(=C(C#N)C2=CC=CC=C2)C=C1	LCPOATCJCJOUDL-UHFFFAOYSA-N
DG52607	2'-Fluor-uridine	352500	NSC-678515; 2'-Fluor-uridine; 1-(2-Deoxy-2-fluoro-b-D-arabinofuranosyl)uracil; CHEMBL26330; SCHEMBL2105489; NSC526645; NSC678515; AKOS015963394; AB07616; AB08547; AC-1670; MCULE-3215023061; NSC-526645; NCI60_028123; SY037156; DB-020994; FT-0632954; FT-0770446; 1-(2-Deoxy-2-fluoro-.beta.-D-arabinofuranosyl)uracil; 2 inverted exclamation mark -Deoxy-2 inverted exclamation mark -fluorouridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	526645	.	.	.	.	246.19	C9H11FN2O5	99.1	374	-1	17	3	6	2	"InChI=1S/C9H11FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)"	C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F	UIYWFOZZIZEEKJ-UHFFFAOYSA-N
DG52608	"1-Chloro-2,4-bis(thiocyanatomethyl)benzene"	352645	"93262-83-0; NSC527310; DTXSID80326371; ZINC1606890; NSC-527310; 1-chloro-2,4-bis(thiocyanatomethyl)benzene; DS-002796; (4-Chloro-1,3-phenylene)bis(methylene) bis(thiocyanate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	527310	.	.	.	.	254.8	C10H7ClN2S2	98.2	290	3.5	15	0	4	4	"InChI=1S/C10H7ClN2S2/c11-10-2-1-8(4-14-6-12)3-9(10)5-15-7-13/h1-3H,4-5H2"	C1=CC(=C(C=C1CSC#N)CSC#N)Cl	XLWJHNAFCNUFOP-UHFFFAOYSA-N
DG52609	Arafluorocytosine	352938	"MLS003373858; Arafluorocytosine; Ara-FC; Fluorocytosine arabinoside; CHEMBL89342; SCHEMBL21423108; NSC529180; NSC-529180; NCI60_004297; SMR002048650; .beta.-D-Arabinofuranosyl-5-fluorocytosine; FT-0620416; FT-0650496; 1-.beta.-D-Arabinofuranosyl-5-fluorocytosine; WLN: T6NVNJ DZ EF A- BT5OTJ CQ DQ E1Q; Cytosine, 1-.beta.-D-arabinofuranosyl-5-fluoro-; 2(1H)-Pyrimidinone, 4-amino-1-.beta.-D-arabinofuranosyl- 5-fluoro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	529180	.	.	.	.	261.209	C9H12FN3O5	129	426	-2.1	18	4	6	2	"InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)"	C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)F	STRZQWQNZQMHQR-UHFFFAOYSA-N
DG52610	"N-[p-[[(2,4-Diamino-5-chloro-6-quinazolinyl)methyl]amino]benzoyl]-L-aspartic acid"	353016	"NSC529861; CHEMBL156358; 2-[[4-[(2,4-diamino-5-chloro-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid; N-[p-[[(2,4-Diamino-5-chloro-6-quinazolinyl)methyl]amino]benzoyl]-L-aspartic acid; NSC-529861; NCI60_004302; 2-[4-(((2,4-Diamino-5-chloro-quinazolin-6-yl)methyl)amino); Aspartic acid,4-diamino-5-chloro-6-quinazolinyl)methyl]amino]benzoyl]-, L-; L-Aspartic acid,4-diamino-5-chloro-6-quinazolinyl)methyl]amino]benzoyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	529861	.	.	.	.	458.9	C20H19ClN6O5	194	691	1.4	32	6	10	8	"InChI=1S/C20H19ClN6O5/c21-16-10(3-6-12-15(16)17(22)27-20(23)26-12)8-24-11-4-1-9(2-5-11)18(30)25-13(19(31)32)7-14(28)29/h1-6,13,24H,7-8H2,(H,25,30)(H,28,29)(H,31,32)(H4,22,23,26,27)"	C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl	GWIBVUFMBFNYLT-UHFFFAOYSA-N
DG52611	NSC600018	353025	"[5-[[2-Hydroxy-2-(1-hydroxyethyl)-3-methylbutanoyl]oxymethyl]-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate; NSC600018; CHEMBL2005328; NSC-600018; NCI60_004461; [[2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoyl]oxymethyl-tetraoxo-[ ]yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate; Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (1,3,3a,3b,4,4a,5,7,7a,8,8a,8b-dodecahydro-1,3,5,7-tetraoxo-4,8-ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-2,6-diyl)bis(methylene) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600018	.	.	.	.	620.6	C30H40N2O12	208	1270	-0.5	44	4	12	12	"InChI=1S/C30H40N2O12/c1-11(2)29(41,13(5)33)27(39)43-9-31-23(35)19-15-7-8-16(20(19)24(31)36)18-17(15)21-22(18)26(38)32(25(21)37)10-44-28(40)30(42,12(3)4)14(6)34/h7-8,11-22,33-34,41-42H,9-10H2,1-6H3"	CC(C)C(C(C)O)(C(=O)OCN1C(=O)C2C3C=CC(C2C1=O)C4C3C5C4C(=O)N(C5=O)COC(=O)C(C(C)C)(C(C)O)O)O	HTLCSRQXNUPRBQ-UHFFFAOYSA-N
DG52612	"Methyl 5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromene-6-carboxylate"	353071	"NSC600166; CHEMBL1980774; ZINC1607490; NSC-600166; methyl 5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromene-6-carboxylate; Methyl 5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydro-2H,8H-pyrano[2,3-f]chromene-6-carboxylate; NCI60_004472; Benzo[1,2-b3,4-b']dipyran-6-carboxylic acid der.; Benzo[1,4-b']dipyran-6-carboxylic acid, 2,3,4,8,9,10-hexahydro-5-hydroxy-2,2,8,8-tetramethyl-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600166	.	.	.	.	320.4	C18H24O5	65	472	3.9	23	1	5	2	"InChI=1S/C18H24O5/c1-17(2)8-6-10-13(19)12(16(20)21-5)15-11(14(10)22-17)7-9-18(3,4)23-15/h19H,6-9H2,1-5H3"	CC1(CCC2=C(C(=C3C(=C2O1)CCC(O3)(C)C)C(=O)OC)O)C	YCMSOWZRNXKKKJ-UHFFFAOYSA-N
DG52613	"Pyridine, 2-(2-oxohydrazino)-5-phenyl-"	353073	"NSC600167; Pyridine, 2-(2-oxohydrazino)-5-phenyl-; CHEMBL2009816; ZINC12951814; N-(5-phenyl-2-pyridyl)nitrous amide; NCI60_004473"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600167	.	.	.	.	199.21	C11H9N3O	54.4	204	2.5	15	1	4	2	"InChI=1S/C11H9N3O/c15-14-13-11-7-6-10(8-12-11)9-4-2-1-3-5-9/h1-8H,(H,12,13,15)"	C1=CC=C(C=C1)C2=CN=C(C=C2)NN=O	OBLZPTDQYCPOHJ-UHFFFAOYSA-N
DG52614	"6,7-Dihydroxy-4'-methylisoflavan"	353126	"6,7-Dihydroxy-4'-methylisoflavan; NSC600286; HIR-3; 116718-59-3; CHEMBL2003199; SCHEMBL10559567; DTXSID20326537; BDBM153379; NSC-600286; NCI60_004482; 3-(4-Methylphenyl)-3,4-dihydro-2H-1-benzopyran-6,7-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600286	.	.	.	.	256.3	C16H16O3	49.7	298	3.3	19	2	3	1	"InChI=1S/C16H16O3/c1-10-2-4-11(5-3-10)13-6-12-7-14(17)15(18)8-16(12)19-9-13/h2-5,7-8,13,17-18H,6,9H2,1H3"	CC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)O)O	OKUSEYCLSBRHFB-UHFFFAOYSA-N
DG52615	"6,7-Diacetoxy-4'-methoxyisoflavan"	353127	"6,7-Diacetoxy-4'-methoxyisoflavan; NSC600287; CHEMBL1967574; SCHEMBL10561540; NSC-600287; NCI60_004483; 3-(4-Methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-6,7-diol diacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600287	.	.	.	.	356.4	C20H20O6	71.1	499	3.2	26	0	6	6	"InChI=1S/C20H20O6/c1-12(21)25-19-9-15-8-16(14-4-6-17(23-3)7-5-14)11-24-18(15)10-20(19)26-13(2)22/h4-7,9-10,16H,8,11H2,1-3H3"	CC(=O)OC1=C(C=C2C(=C1)CC(CO2)C3=CC=C(C=C3)OC)OC(=O)C	NQTGQJQEARMJCW-UHFFFAOYSA-N
DG52616	"6,7-Diacetoxy-4'-methylisoflavan"	353128	"6,7-Diacetoxy-4'-methylisoflavan; NSC600288; CHEMBL1995625; NSC-600288; NCI60_004484"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600288	.	.	.	.	340.4	C20H20O5	61.8	483	3.5	25	0	5	5	"InChI=1S/C20H20O5/c1-12-4-6-15(7-5-12)17-8-16-9-19(24-13(2)21)20(25-14(3)22)10-18(16)23-11-17/h4-7,9-10,17H,8,11H2,1-3H3"	CC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)OC(=O)C)OC(=O)C	INOCXFGIUNJNMC-UHFFFAOYSA-N
DG52617	"6,7-Diacetoxyisoflavan"	353129	"6,7-Diacetoxyisoflavan; NSC600289; CHEMBL1973688; SCHEMBL10561600; NSC-600289; NCI60_004485"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600289	.	.	.	.	326.3	C19H18O5	61.8	457	3.2	24	0	5	5	"InChI=1S/C19H18O5/c1-12(20)23-18-9-15-8-16(14-6-4-3-5-7-14)11-22-17(15)10-19(18)24-13(2)21/h3-7,9-10,16H,8,11H2,1-2H3"	CC(=O)OC1=C(C=C2C(=C1)CC(CO2)C3=CC=CC=C3)OC(=O)C	YUFASPAYFKAVGR-UHFFFAOYSA-N
DG52618	"4',6,7-Triacetoxyisoflavan"	353130	"NSC600290; 4',6,7-Triacetoxyisoflavan; 4',7-Triacetoxyisoflavan; CHEMBL1969810; SCHEMBL10563358; NSC-600290; NCI60_004486"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600290	.	.	.	.	384.4	C21H20O7	88.1	581	2.9	28	0	7	7	"InChI=1S/C21H20O7/c1-12(22)26-18-6-4-15(5-7-18)17-8-16-9-20(27-13(2)23)21(28-14(3)24)10-19(16)25-11-17/h4-7,9-10,17H,8,11H2,1-3H3"	CC(=O)OC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)OC(=O)C)OC(=O)C	HPOLZHAMVHDITJ-UHFFFAOYSA-N
DG52619	"3',4'-Dimethoxy-7-hydroxy-8-methylisoflavan"	353131	"NSC600291; 3',4'-Dimethoxy-7-hydroxy-8-methylisoflavan; CHEMBL1991741; SCHEMBL10565267; NSC-600291; NCI60_004487; 8-Methyl-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600291	.	.	.	.	300.3	C18H20O4	47.9	361	3.6	22	1	4	3	"InChI=1S/C18H20O4/c1-11-15(19)6-4-13-8-14(10-22-18(11)13)12-5-7-16(20-2)17(9-12)21-3/h4-7,9,14,19H,8,10H2,1-3H3"	CC1=C(C=CC2=C1OCC(C2)C3=CC(=C(C=C3)OC)OC)O	OFRBAEIYLSMBIS-UHFFFAOYSA-N
DG52620	Picodazole	353155	Picodazole; NSC600472; NSC639753; CHEMBL1981545; Methyl 5-(1H-pyrrol-2-ylcarbonyl)-1H-benzimidazol-2-ylcarbamate; methyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate; ZINC13219715; NSC-600472; NSC-639753; NCI60_004497; methyl 6-(1H-pyrrol-2-ylcarbonyl)-1H-benzimidazol-2-ylcarbamate; methyl N-[5-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate; [6-(1H-Pyrrol-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamic acid methyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600472	.	.	.	.	284.27	C14H12N4O3	99.9	417	2	21	3	4	4	"InChI=1S/C14H12N4O3/c1-21-14(20)18-13-16-9-5-4-8(7-11(9)17-13)12(19)10-3-2-6-15-10/h2-7,15H,1H3,(H2,16,17,18,20)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CN3	PLBDUAFRLMLHTN-UHFFFAOYSA-N
DG52621	"3-Methyl-1-thia-3,4a,9-triaza-fluorene-2,4-dithione"	353156	"NSC600473; UNII-ASR676B8RM; ASR676B8RM; 3-Methyl-1-thia-3,4a,9-triaza-fluorene-2,4-dithione; 74734-08-0; NSC 600473; 3-methyl-[1,3,5]thiadiazino[3,2-a]benzimidazole-2,4-dithione; CHEMBL1995104; DTXSID80225719; ZINC13216788; NSC-600473; NCI60_004498; 2H-1,5-Thiadiazino[3,2-a]benzimidazol-2,4(3H)-dithione, 3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600473	.	.	.	.	265.4	C10H7N3S3	111	346	3.2	16	0	4	0	"InChI=1S/C10H7N3S3/c1-12-9(14)13-7-5-3-2-4-6(7)11-8(13)16-10(12)15/h2-5H,1H3"	CN1C(=S)N2C3=CC=CC=C3N=C2SC1=S	WHOZVZKPJLUZNU-UHFFFAOYSA-N
DG52622	"(6aR)-7,9-dimethyl-4-pentyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinoline;2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid"	353191	NSC600681; CHEMBL1998143; NSC-600681; NCI60_004501	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600681	.	.	.	.	694.8	C41H46N2O8	135	990	.	51	2	9	13	"InChI=1S/C21H28N2.C20H18O8/c1-4-5-6-10-23-14-16-12-20-18(11-15(2)13-22(20)3)17-8-7-9-19(23)21(16)17;1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h7-9,11,14,18,20H,4-6,10,12-13H2,1-3H3;3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t18 ,20-;/m1./s1"	CCCCCN1C=C2C[C@@H]3C(C=C(CN3C)C)C4=C2C1=CC=C4.CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O	QYINIADJZVQSAQ-MLVYHOMMSA-N
DG52623	"11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxamide"	353192	"NSC600684; NSC-600684; CHEMBL1192118; GTPL11240; ZINC53045657; 11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxamide; 2-Isopropyl-11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-11H-pyrido[2,1-b]quinazoline-8-carboxamide; NCI60_004502; 2-isopropyl-11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-8-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600684	.	.	.	.	469.6	C28H31N5O2	68.2	880	3.3	35	1	5	6	"InChI=1S/C28H31N5O2/c1-20(2)21-8-10-25-24(18-21)28(35)33-19-22(9-11-26(33)30-25)27(34)29-12-13-31-14-16-32(17-15-31)23-6-4-3-5-7-23/h3-11,18-20H,12-17H2,1-2H3,(H,29,34)"	CC(C)C1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)C(=O)NCCN4CCN(CC4)C5=CC=CC=C5	XYYIYKRFSGVWQQ-UHFFFAOYSA-N
DG52624	9-[(5-Nitro-2-pyridyl)sulfanyl]acridine	353206	NSC600758; CHEMBL2006365; ZINC5594131; NSC-600758; 9-[(5-nitro-2-pyridyl)sulfanyl]acridine; NCI60_004504; 9-((5-(Hydroxy(oxido)amino)-2-pyridinyl)thio)acridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600758	.	.	.	.	333.4	C18H11N3O2S	96.9	436	4.7	24	0	5	2	InChI=1S/C18H11N3O2S/c22-21(23)12-9-10-17(19-11-12)24-18-13-5-1-3-7-15(13)20-16-8-4-2-6-14(16)18/h1-11H	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SC4=NC=C(C=C4)[N+](=O)[O-]	XEKOLQDJUMNOGB-UHFFFAOYSA-N
DG52625	"Pyridine, 5-(2-naphthalenylthio)-2-(2-oxohydrazino)-"	353208	"NSC600759; CHEMBL4299062; Pyridine, 5-(2-naphthalenylthio)-2-(2-oxohydrazino)-; ZINC12951834; NCI60_004505; N-[5-(2-naphthylsulfanyl)-2-pyridyl]nitrous amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600759	.	.	.	.	281.3	C15H11N3OS	79.6	328	4.2	20	1	5	3	"InChI=1S/C15H11N3OS/c19-18-17-15-8-7-14(10-16-15)20-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,16,17,19)"	C1=CC=C2C=C(C=CC2=C1)SC3=CN=C(C=C3)NN=O	RRYOGIKBIGWMJI-UHFFFAOYSA-N
DG52626	"8-Methyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one"	353213	"NSC600768; 8-methyl-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one; 8-Methyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one; 64376-00-7; CHEMBL394287; 2H-1,5-benzodiazepin-2-one, 1,3-dihydro-8-methyl-4-phenyl-; ChemDivAM_001114; ChemDiv1_023899; Oprea1_067338; Oprea1_610963; MLS000526790; HMS654O07; DTXSID10326541; 8-Methyl-4-phenyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one; HMS2157J21; HMS3353B18; BDBM50333014; ZINC100645589; MCULE-7163255314; NSC-600768; NCI60_004508; SMR000117264; SR-01000462175; SR-01000462175-1; 8-methyl-4-phenyl-1H-benzo[b][1,4]diazepin-2(3H)-one; 1,3-Dihydro-8-methyl-4-phenyl-2H-1,5-benzodiazepin-2-one; 2,3-Dihydro-8-methyl-4-phenyl-1H-1,5-benzodiazepin-2-one; 8-Methyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600768	.	.	.	.	250.29	C16H14N2O	41.5	371	2.8	19	1	2	1	"InChI=1S/C16H14N2O/c1-11-7-8-13-15(9-11)18-16(19)10-14(17-13)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19)"	CC1=CC2=C(C=C1)N=C(CC(=O)N2)C3=CC=CC=C3	SCWDIXHHIUWDED-UHFFFAOYSA-N
DG52627	NSC373965	353257	"[5-[(2-Amino-3-phenylpropanoyl)oxymethyl]-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-amino-3-phenylpropanoate; NSC373965; GULF COMPOUND, PRODRUG; CHEMBL1983141; NSC-373965; L-Phenylalanine,3,3a,3b,4,4a,5,7,7a,8,8a,8b-dodecahydro-1,3,5,7-tetraoxo-4,8-ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-2,6-diyl)bis(methylene)ester, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373965	.	.	.	.	626.7	C34H34N4O8	179	1270	1.1	46	2	10	12	"InChI=1S/C34H34N4O8/c35-21(13-17-7-3-1-4-8-17)33(43)45-15-37-29(39)25-19-11-12-20(26(25)30(37)40)24-23(19)27-28(24)32(42)38(31(27)41)16-46-34(44)22(36)14-18-9-5-2-6-10-18/h1-12,19-28H,13-16,35-36H2"	C1=CC=C(C=C1)CC(C(=O)OCN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)COC(=O)C(CC7=CC=CC=C7)N)N	SXBPNXYVYHMTCJ-UHFFFAOYSA-N
DG52628	"N,N-dimethyl-4-[(E)-1-phenylethylideneamino]aniline"	353259	"NSC600882; 91118-69-3; CHEMBL1980479; DTXSID70326547; ZINC16952062; ZINC104264902; NSC-600882; NCI60_004510; N,N-dimethyl-4-[(E)-1-phenylethylideneamino]aniline; N~1~,N~1~-Dimethyl-N~4~-(1-phenylethylidene)-1,4-benzenediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600882	.	.	.	.	238.33	C16H18N2	15.6	269	3.6	18	0	2	3	"InChI=1S/C16H18N2/c1-13(14-7-5-4-6-8-14)17-15-9-11-16(12-10-15)18(2)3/h4-12H,1-3H3"	CC(=NC1=CC=C(C=C1)N(C)C)C2=CC=CC=C2	JQTKLRWZPMSEKW-UHFFFAOYSA-N
DG52629	"methyl N-[2-(methoxycarbonylamino)-4-oxo-1,3-dihydroquinazolin-2-yl]carbamate"	353373	"NSC601347; CHEMBL2001142; ZINC5549906; methyl N-[2-(methoxycarbonylamino)-4-oxo-1,3-dihydroquinazolin-2-yl]carbamate; NSC-601347; Carbamic acid, (1,2,3,4-tetrahydro-4-oxo-2-quinazolinylidene)bis-, dimethyl ester; NCI60_004519; dimethyl-4-oxo-1,3,4-tetrahydroquinazoline 2,2-diyl-dicarbamate; N,N'-[(4-Oxo-1,2,3,4-tetrahydroquinazoline)-2,2-diyl]bis(carbamic acid methyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601347	.	.	.	.	294.26	C12H14N4O5	118	423	1.7	21	4	6	4	"InChI=1S/C12H14N4O5/c1-20-10(18)15-12(16-11(19)21-2)13-8-6-4-3-5-7(8)9(17)14-12/h3-6,13H,1-2H3,(H,14,17)(H,15,18)(H,16,19)"	COC(=O)NC1(NC2=CC=CC=C2C(=O)N1)NC(=O)OC	LNTDJAMHPDSXLY-UHFFFAOYSA-N
DG52630	(+)-Isoalantolactone;Isohelenin	353376	"(+)-Isoalantolactone;Isohelenin; NSC601353; CHEMBL2000732; NSC-601353; NCI60_004522; (8aR)-8a-methyl-3,5-dimethylenedecahydronaphtho[2,3-b]furan-2(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601353	.	.	.	.	232.32	C15H20O2	26.3	409	3.4	17	0	2	0	"InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3/t11 ,12 ,13 ,15-/m1/s1"	C[C@]12CCCC(=C)C1CC3C(C2)OC(=O)C3=C	CVUANYCQTOGILD-CDKPOMLUSA-N
DG52631	N-(4-Bromo-1-naphthyl)-1-hydroxy-2-naphthamide	353380	NSC601359; MLS000757219; N-(4-Bromo-1-naphthyl)-1-hydroxy-2-naphthamide; NSC-601359; SMR000529047; cid_353380; CHEMBL1306524; SCHEMBL15537171; BDBM54384; N-(4-bromonaphthalen-1-yl)-1-hydroxynaphthalene-2-carboxamide; ZINC1607786; NCI60_004523; N-(4-bromo-1-naphthyl)-1-hydroxy-naphthalene-2-carboxamide; N-(4-bromo-1-naphthalenyl)-1-hydroxy-2-naphthalenecarboxamide; N-(4-bromanylnaphthalen-1-yl)-1-oxidanyl-naphthalene-2-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601359	.	.	.	.	392.2	C21H14BrNO2	49.3	485	6.1	25	2	2	2	"InChI=1S/C21H14BrNO2/c22-18-11-12-19(16-8-4-3-7-15(16)18)23-21(25)17-10-9-13-5-1-2-6-14(13)20(17)24/h1-12,24H,(H,23,25)"	C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=CC=C(C4=CC=CC=C43)Br	FXYXGRSAQZGIOS-UHFFFAOYSA-N
DG52632	2-Amino-4-(butylsulfinyl)butanoic acid	353382	"D,L-Buthionine Sulfoxide; 2-Amino-4-(butylsulfinyl)butanoic acid; 98487-33-3; 2-amino-4-butylsulfinylbutanoic acid; NSC601361; CHEMBL2000099; DTXSID80326553; 2-amino-4-butylsulfinyl-butanoic acid; NSC-601361; NCI60_004525; FT-0663952; FT-0663953"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601361	.	.	.	.	207.29	C8H17NO3S	99.6	184	-2.7	13	2	5	7	"InChI=1S/C8H17NO3S/c1-2-3-5-13(12)6-4-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)"	CCCCS(=O)CCC(C(=O)O)N	KOGSTWSVCBVYHO-UHFFFAOYSA-N
DG52633	5-Chloro-4-hydrazinoquinazoline	353384	"NSC601363; 5-Chloro-4-hydrazinoquinazoline; (5-chloroquinazolin-4-yl)hydrazine; Quinazoline, 5-chloro-4-hydrazinyl-; CHEMBL1994502; ZINC1607790; NSC-601363; 500864-28-8; NCI60_004527"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601363	.	.	.	.	194.62	C8H7ClN4	63.8	178	1.7	13	2	4	1	"InChI=1S/C8H7ClN4/c9-5-2-1-3-6-7(5)8(13-10)12-4-11-6/h1-4H,10H2,(H,11,12,13)"	C1=CC2=C(C(=C1)Cl)C(=NC=N2)NN	UIZDMFDDQVMVSH-UHFFFAOYSA-N
DG52634	Quinocarcin monocitrate	353396	"Quinocarcin monocitrate; NSC601422; MLS002702904; NSC-601422; Antibiotic DC-52 citrate; Quinocarcinomycin monocitrate; 3,2,3-cd]azulene- 5-carboxylic acid, 2a,3,4,5,6,6a,7,11b-octahydro- 11-methoxy-12-methyl-, (2a-.alpha.,3-.alpha.,5-.alpha., 6-.alpha.,6a-.alpha.,11b-.alpha.)-(-)-, 2-hydroxy-1,2,3- propanetricarboxylate (1:1) (salt)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601422	.	.	.	.	522.5	C24H30N2O11	194	771	.	37	5	13	7	"InChI=1S/C18H22N2O4.C6H8O7/c1-19-12-7-10(18(21)22)16(19)11-6-9-4-3-5-14(23-2)15(9)13-8-24-17(12)20(11)13;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,10-13,16-17H,6-8H2,1-2H3,(H,21,22);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t10-,11+,12 ,13+,16 ,17-;/m0./s1"	CN1C2C[C@@H](C1[C@H]3CC4=C([C@@H]5N3[C@H]2OC5)C(=CC=C4)OC)C(=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O	MTZMRPGOPJFNLW-YFLVRMBNSA-N
DG52635	9-[(6-Nitro-3-pyridyl)sulfanyl]acridine	353415	NSC601518; CHEMBL1980097; NSC-601518; 9-[(6-nitro-3-pyridyl)sulfanyl]acridine; NCI60_004530; 9-((6-(Hydroxy(oxido)amino)-3-pyridinyl)thio)acridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601518	.	.	.	.	333.4	C18H11N3O2S	96.9	436	4.7	24	0	5	2	InChI=1S/C18H11N3O2S/c22-21(23)17-10-9-12(11-19-17)24-18-13-5-1-3-7-15(13)20-16-8-4-2-6-14(16)18/h1-11H	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SC4=CN=C(C=C4)[N+](=O)[O-]	QTKORYOEJIXOSL-UHFFFAOYSA-N
DG52636	benzyl N-(trimethylsilylmethyl)carbamate	353436	NSC601811; CHEMBL1997004; ZINC195499472; NSC-601811; NCI60_004535	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601811	.	.	.	.	237.37	C12H19NO2Si	38.3	220	.	16	1	2	5	"InChI=1S/C12H19NO2Si/c1-16(2,3)10-13-12(14)15-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,13,14)"	C[Si](C)(C)CNC(=O)OCC1=CC=CC=C1	MWVUREPCKMPVOF-UHFFFAOYSA-N
DG52637	"Methyl 5-oxo-4,5-dihydro-3H-1,3,4-benzotriazepin-2-ylcarbamate"	353471	"NSC601851; CHEMBL1988949; Methyl 5-oxo-4,5-dihydro-3H-1,3,4-benzotriazepin-2-ylcarbamate; ZINC6379368; methyl N-(5-oxo-3,4-dihydro-1,3,4-benzotriazepin-2-yl)carbamate; NSC-601851; NCI60_004537"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601851	.	.	.	.	234.21	C10H10N4O3	91.8	356	0.4	17	3	4	2	"InChI=1S/C10H10N4O3/c1-17-10(16)12-9-11-7-5-3-2-4-6(7)8(15)13-14-9/h2-5H,1H3,(H,13,15)(H2,11,12,14,16)"	COC(=O)NC1=NC2=CC=CC=C2C(=O)NN1	ZQUNSLRRUXYQNE-UHFFFAOYSA-N
DG52638	Gallibiscoquinazole	353472	"Gallibiscoquinazole; NSC601853; CHEMBL1969416; ZINC1607872; NSC-601853; methyl N-[6,7,8-trimethoxy-2-(methoxycarbonylamino)-4-oxo-1,3-dihydroquinazolin-2-yl]carbamate; NCI60_004539; N,N'-[(6-Methoxy-7-methoxy-8-methoxy-4-oxo-1,2,3,4-tetrahydroquinazoline)-2,2-diyl]bis(carbamic acid methyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601853	.	.	.	.	384.34	C15H20N4O8	146	556	1.6	27	4	9	7	"InChI=1S/C15H20N4O8/c1-23-8-6-7-9(11(25-3)10(8)24-2)16-15(17-12(7)20,18-13(21)26-4)19-14(22)27-5/h6,16H,1-5H3,(H,17,20)(H,18,21)(H,19,22)"	COC1=C(C(=C2C(=C1)C(=O)NC(N2)(NC(=O)OC)NC(=O)OC)OC)OC	LZHVHZJESCMXKN-UHFFFAOYSA-N
DG52639	Verabiscoquinazole	353473	"Verabiscoquinazole; NSC601854; CHEMBL1976179; ZINC1607873; NSC-601854; methyl N-[6,7-dimethoxy-2-(methoxycarbonylamino)-4-oxo-1,3-dihydroquinazolin-2-yl]carbamate; Carbamic acid, (1,2,3,4-tetrahydro-6,7-dimethoxy-4-oxo-2-quinazolinylidene)bis-, dimethyl ester; NCI60_004540; N,N'-[(6-Methoxy-7-methoxy-4-oxo-1,2,3,4-tetrahydroquinazoline)-2,2-diyl]bis(carbamic acid methyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601854	.	.	.	.	354.32	C14H18N4O7	136	511	1.6	25	4	8	6	"InChI=1S/C14H18N4O7/c1-22-9-5-7-8(6-10(9)23-2)15-14(16-11(7)19,17-12(20)24-3)18-13(21)25-4/h5-6,15H,1-4H3,(H,16,19)(H,17,20)(H,18,21)"	COC1=C(C=C2C(=C1)C(=O)NC(N2)(NC(=O)OC)NC(=O)OC)OC	UOLOZKGRSLKSSH-UHFFFAOYSA-N
DG52640	2-Methyl-3-(2-phenylhydrazinyl)quinoxaline	353494	NSC 601980 (analog); 2-methyl-3-(2-phenylhydrazinyl)quinoxaline; 91757-46-9; NSC601980; 1-(3-methylquinoxalin-2-yl)-2-phenylhydrazine; CHEMBL1975311; HY-B1714; ZINC6483739; CS-5500; NSC-601980; NCI60_004544	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601980	.	.	.	.	250.3	C15H14N4	49.8	277	3.8	19	2	4	3	"InChI=1S/C15H14N4/c1-11-15(19-18-12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-11/h2-10,18H,1H3,(H,17,19)"	CC1=NC2=CC=CC=C2N=C1NNC3=CC=CC=C3	LGFSRIOYSFTORO-UHFFFAOYSA-N
DG52641	1-(2'6'-difluorobenzoyl)-3-[3'-(5''-chloro-2''-Pyrimidinyloxy)phenyl]urea	353513	MLS002701732; NSC602022; CHEMBL1865552; ZINC1607906; NSC-602022; NCI60_004546; SMR001565328; 1-(2'6'-difluorobenzoyl)-3-[3'-(5''-chloro-2''-Pyrimidinyloxy)phenyl]urea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602022	.	.	.	.	404.8	C18H11ClF2N4O3	93.2	541	3.9	28	2	7	4	"InChI=1S/C18H11ClF2N4O3/c19-10-8-22-18(23-9-10)28-12-4-1-3-11(7-12)24-17(27)25-16(26)15-13(20)5-2-6-14(15)21/h1-9H,(H2,24,25,26,27)"	C1=CC(=CC(=C1)OC2=NC=C(C=N2)Cl)NC(=O)NC(=O)C3=C(C=CC=C3F)F	OURVGFASBSXJLK-UHFFFAOYSA-N
DG52642	13-Desoxyphomenone	353550	13-Desoxyphomenone; NSC602130; NSC-602130; NCI60_004551	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602130	.	.	.	.	248.32	C15H20O3	49.8	478	2.1	18	1	3	1	"InChI=1S/C15H20O3/c1-8(2)15-12(17)7-10-5-6-11(16)9(3)14(10,4)13(15)18-15/h7,9,11,13,16H,1,5-6H2,2-4H3/t9-,11 ,13 ,14+,15 /m0/s1"	C[C@H]1C(CCC2=CC(=O)C3(C([C@]12C)O3)C(=C)C)O	PCBDXYONDOCJPR-BLKUAORASA-N
DG52643	"N,N-dimethyl-1-(1H-perimidin-2-yl)methanamine"	353551	NSC602132; CHEMBL1995081; ZINC1607936; NSC-602132; NCI60_004552	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602132	.	.	.	.	225.29	C14H15N3	27.6	311	2.1	17	1	2	2	"InChI=1S/C14H15N3/c1-17(2)9-13-15-11-7-3-5-10-6-4-8-12(16-13)14(10)11/h3-8H,9H2,1-2H3,(H,15,16)"	CN(C)CC1=NC2=CC=CC3=C2C(=CC=C3)N1	ZZVTWGULKUBWQL-UHFFFAOYSA-N
DG52644	"2,4-Pyrimidinediamine, 5-(3-chloro-4-nitrophenyl)-6-ethyl-"	353606	"NSC602313; CHEMBL2006664; 2,4-Pyrimidinediamine, 5-(3-chloro-4-nitrophenyl)-6-ethyl-; NSC-602313; 95458-49-4; NCI60_004555; 2,4-Diamino-6-ethyl-5-(3-chloro-4-nitrophenyl)pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602313	.	.	.	.	293.71	C12H12ClN5O2	124	353	2.3	20	2	6	2	"InChI=1S/C12H12ClN5O2/c1-2-8-10(11(14)17-12(15)16-8)6-3-4-9(18(19)20)7(13)5-6/h3-5H,2H2,1H3,(H4,14,15,16,17)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)[N+](=O)[O-])Cl	WVOUXRHJGOEMJA-UHFFFAOYSA-N
DG52645	"6,9-Ethanobenzo[g]quinoxaline-5,10-dione, 6,9-dihydro-2,3-dimethyl-"	353637	"NSC602610; CHEMBL1969777; 6,9-Ethanobenzo[g]quinoxaline-5,10-dione, 6,9-dihydro-2,3-dimethyl-; NSC-602610; NCI60_004562"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602610	.	.	.	.	266.29	C16H14N2O2	59.9	515	2.3	20	0	4	0	"InChI=1S/C16H14N2O2/c1-7-8(2)18-14-13(17-7)15(19)11-9-3-5-10(6-4-9)12(11)16(14)20/h3,5,9-10H,4,6H2,1-2H3"	CC1=C(N=C2C(=N1)C(=O)C3=C(C2=O)C4CCC3C=C4)C	QGLROAKDEITONM-UHFFFAOYSA-N
DG52646	"5-Azatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,13-tetraene-3,10-dione"	353640	NSC602613; CHEMBL1964505; NSC-602613; NCI60_004563	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602613	.	.	.	.	225.24	C14H11NO2	47	428	1.5	17	0	3	0	"InChI=1S/C14H11NO2/c16-13-9-2-1-5-15-12(9)14(17)11-8-4-3-7(6-8)10(11)13/h1-5,7-8,10-11H,6H2"	C1C2C=CC1C3C2C(=O)C4=C(C3=O)N=CC=C4	FUMXYMLONDPFTF-UHFFFAOYSA-N
DG52647	"2,3-Dimethylbenzo[g]quinoxaline-5,10-dione"	353644	"NSC602617; MLS002702968; 2,3-Dimethylbenzo[g]quinoxaline-5,10-dione; SMR001566782; Benzo[g]quinoxaline-5,10-dione, 5,10-dihydro-2,3-dimethyl-; NCIMech_000009; cid_353644; CHEMBL1729297; BDBM91512; ZINC1608068; CCG-35262; NSC-602617; NCI60_004564; 2,3-dimethylbenzo[g]quinoxaline-5,10-quinone; Benzo[g]quinoxaline-5, 5,10-dihydro-2,3-dimethyl-; {Benzo[g]quinoxaline-5,10-dione,} 5,10-dihydro-2,3-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602617	.	.	.	.	238.24	C14H10N2O2	59.9	346	2.2	18	0	4	0	"InChI=1S/C14H10N2O2/c1-7-8(2)16-12-11(15-7)13(17)9-5-3-4-6-10(9)14(12)18/h3-6H,1-2H3"	CC1=C(N=C2C(=N1)C(=O)C3=CC=CC=C3C2=O)C	QWAGSSCSLRFGSL-UHFFFAOYSA-N
DG52648	"2,9-Bis(chloromethyl)-1,10-phenanthroline"	353740	"2,9-Bis(chloromethyl)-1,10-phenanthroline; 1,10-Phenanthroline, 2,9-bis(chloromethyl)-; 87518-61-4; NSC602849; SCHEMBL8944345; CHEMBL1983660; DTXSID10326586; ZINC1608161; NSC-602849; NCI60_004568"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602849	.	.	.	.	277.1	C14H10Cl2N2	25.8	259	3.3	18	0	2	2	"InChI=1S/C14H10Cl2N2/c15-7-11-5-3-9-1-2-10-4-6-12(8-16)18-14(10)13(9)17-11/h1-6H,7-8H2"	C1=CC2=C(C3=C1C=CC(=N3)CCl)N=C(C=C2)CCl	VHSRCSBZOPMBPA-UHFFFAOYSA-N
DG52649	"2,9-Bis(bromomethyl)-1,10-phenanthroline"	353741	"NSC602850; 2,9-Bis(bromomethyl)-1,10-phenanthroline; CHEMBL1976682; SCHEMBL1258482; DTXSID70326587; ZINC1608162; BDBM50401340; NSC-602850; 78831-37-5; NCI60_004569"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602850	.	.	.	.	366.05	C14H10Br2N2	25.8	259	3.6	18	0	2	2	"InChI=1S/C14H10Br2N2/c15-7-11-5-3-9-1-2-10-4-6-12(8-16)18-14(10)13(9)17-11/h1-6H,7-8H2"	C1=CC2=C(C3=C1C=CC(=N3)CBr)N=C(C=C2)CBr	DGDBWGQSYCEWHT-UHFFFAOYSA-N
DG52650	"Methyl 5-fluoro-4-hydroxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate"	353769	"NSC602881; MLS003373871; CHEMBL1978762; SCHEMBL11243781; Methyl 5-fluoro-4-hydroxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate; NSC-602881; NCI60_004573; SMR002048663; methyl 5-fluoro-4-hydroxy-2,6-dioxo-hexahydropyrimidine-5-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602881	.	.	.	.	206.13	C6H7FN2O5	105	307	-0.7	14	3	6	2	"InChI=1S/C6H7FN2O5/c1-14-4(12)6(7)2(10)8-5(13)9-3(6)11/h2,10H,1H3,(H2,8,9,11,13)"	COC(=O)C1(C(NC(=O)NC1=O)O)F	JUUPPQURHPYPOI-UHFFFAOYSA-N
DG52651	N-(4-(6-Methyl-3-pyridinyl)phenyl)-9-acridinamine	353840	NSC603098; N-(4-(6-Methyl-3-pyridinyl)phenyl)-9-acridinamine; CHEMBL1978561; ZINC5553544; NSC-603098; NCI60_004583; N-[4-(6-methyl-3-pyridyl)phenyl]acridin-9-amine; N-(9-Acridinyl)-N-(4-(6-methyl-3-pyridinyl)phenyl)amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603098	.	.	.	.	361.4	C25H19N3	37.8	478	6	28	1	3	3	"InChI=1S/C25H19N3/c1-17-10-11-19(16-26-17)18-12-14-20(15-13-18)27-25-21-6-2-4-8-23(21)28-24-9-5-3-7-22(24)25/h2-16H,1H3,(H,27,28)"	CC1=NC=C(C=C1)C2=CC=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53	UCBSTJJOUMTSJA-UHFFFAOYSA-N
DG52652	"Pyridine, 2-(2-oxohydrazino)-5-(phenylsulfinyl)-"	353904	"NSC603534; Pyridine, 2-(2-oxohydrazino)-5-(phenylsulfinyl)-; SCHEMBL5255532; CHEMBL2010145; NCI60_004597; N-[5-(benzenesulfinyl)-2-pyridyl]nitrous amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603534	.	.	.	.	247.28	C11H9N3O2S	90.6	282	1.7	17	1	6	3	"InChI=1S/C11H9N3O2S/c15-14-13-11-7-6-10(8-12-11)17(16)9-4-2-1-3-5-9/h1-8H,(H,12,13,15)"	C1=CC=C(C=C1)S(=O)C2=CN=C(C=C2)NN=O	PUJLYIOWHPMSEL-UHFFFAOYSA-N
DG52653	3-Dimethylamino-2-(4-methoxybenzoyl)propene	353912	3-Dimethylamino-2-(4-methoxybenzoyl)propene; NSC603553; 87142-72-1; CHEMBL1186544; SCHEMBL11023097; DTXSID90326600; 2-(dimethylaminomethyl)-1-(4-methoxyphenyl)prop-2-en-1-one; ZINC53281674; NCI60_004598; 4'-Methoxy-alpha-(dimethylaminomethyl)acrylophenone; 2-((Dimethylamino)methyl)-1-(4-methoxyphenyl)-2-propen-1-one hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603553	.	.	.	.	219.28	C13H17NO2	29.5	253	2	16	0	3	5	"InChI=1S/C13H17NO2/c1-10(9-14(2)3)13(15)11-5-7-12(16-4)8-6-11/h5-8H,1,9H2,2-4H3"	CN(C)CC(=C)C(=O)C1=CC=C(C=C1)OC	HRGGVRDUIMMKHK-UHFFFAOYSA-N
DG52654	2-(Dimethylaminomethyl)-1-(4-phenoxyphenyl)prop-2-en-1-one	353916	NSC603555; CHEMBL2008139; 2-(dimethylaminomethyl)-1-(4-phenoxyphenyl)prop-2-en-1-one; ZINC73314366; NCI60_004599; 1-(4-Phenoxyphenyl)-2-(dimethylaminomethyl)-2-propene-1-one; 2-((Dimethylamino)methyl)-1-(4-phenoxyphenyl)-2-propen-1-one hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603555	.	.	.	.	281.3	C18H19NO2	29.5	350	3.6	21	0	3	6	"InChI=1S/C18H19NO2/c1-14(13-19(2)3)18(20)15-9-11-17(12-10-15)21-16-7-5-4-6-8-16/h4-12H,1,13H2,2-3H3"	CN(C)CC(=C)C(=O)C1=CC=C(C=C1)OC2=CC=CC=C2	SJNPQWMXRQHPDV-UHFFFAOYSA-N
DG52655	"1-[5-(3,4-dichlorophenyl)-6-imino-4,4-dimethyl-1H-1,3,5-triazin-2-yl]-3-(p-tolylsulfonyl)urea"	353973	"NSC603624; MLS003373878; NCIMech_000418; CHEMBL1896784; ZINC1608359; CCG-35668; NSC-603624; NCI60_004602; SMR002048670; 1-[5-(3,4-dichlorophenyl)-6-imino-4,4-dimethyl-1H-1,3,5-triazin-2-yl]-3-(p-tolylsulfonyl)urea; N-({[5-(3,4-Dichlorophenyl)-6-imino-4,4-dimethyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]amino}carbonyl)-4-methylbenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603624	.	.	.	.	483.4	C19H20Cl2N6O3S	138	849	3.7	31	3	4	4	"InChI=1S/C19H20Cl2N6O3S/c1-11-4-7-13(8-5-11)31(29,30)26-18(28)24-17-23-16(22)27(19(2,3)25-17)12-6-9-14(20)15(21)10-12/h4-10H,1-3H3,(H4,22,23,24,25,26,28)"	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC(N(C(=N2)N)C3=CC(=C(C=C3)Cl)Cl)(C)C	JKBAKQRRBSSBIQ-UHFFFAOYSA-N
DG52656	methyl 1-morpholin-4-yl-3-[(1S)-2-nitro-1-phenylpropyl]cyclopentane-1-carboxylate	353993	NSC603661; CHEMBL1978690; NSC-603661; NCI60_004603	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603661	.	.	.	.	376.4	C20H28N2O5	84.6	525	2.7	27	0	6	6	"InChI=1S/C20H28N2O5/c1-15(22(24)25)18(16-6-4-3-5-7-16)17-8-9-20(14-17,19(23)26-2)21-10-12-27-13-11-21/h3-7,15,17-18H,8-14H2,1-2H3/t15 ,17 ,18-,20 /m1/s1"	CC([C@@H](C1CCC(C1)(C(=O)OC)N2CCOCC2)C3=CC=CC=C3)[N+](=O)[O-]	GVASIQUISVGKAV-DQYDVZSKSA-N
DG52657	"3,5-Dichloro-4H-1,2,6-thiadiazin-4-one"	354026	"3,5-Dichloro-4H-1,2,6-thiadiazin-4-one; NSC603974; 3,5-dichloro-1,2,6-thiadiazin-4-one; 54865-01-9; SCHEMBL9309939; CHEMBL1990186; DTXSID00326611; ZINC1608420; NSC-603974; NCI60_004609"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603974	.	.	.	.	183.02	C3Cl2N2OS	67.1	192	2.2	9	0	4	0	InChI=1S/C3Cl2N2OS/c4-2-1(8)3(5)7-9-6-2	C1(=O)C(=NSN=C1Cl)Cl	ZKHPZXACANWNKQ-UHFFFAOYSA-N
DG52658	"2-[4-(9-Fluoro-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol"	354028	"NSC603976; MLS003373880; CHEMBL1867132; SCHEMBL11338151; AKOS005066082; NSC-603976; 2-[4-(9-fluoro-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol; NCI60_004611; SMR002048672; 2-(4-(3-Fluoro-8-(hydroxy(oxido)amino)-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl)ethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603976	.	.	.	.	403.5	C20H22FN3O3S	97.8	543	3	28	1	7	3	"InChI=1S/C20H22FN3O3S/c21-15-2-1-14-11-18(23-7-5-22(6-8-23)9-10-25)17-13-16(24(26)27)3-4-19(17)28-20(14)12-15/h1-4,12-13,18,25H,5-11H2"	C1CN(CCN1CCO)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)[N+](=O)[O-]	SYZQQZSBHCAWAX-UHFFFAOYSA-N
DG52659	"7H-thieno[2,3-c]thiopyran-4-one"	354029	"7H-thieno[2,3-c]thiopyran-4-one; NSC603977; 5H-Thieno[2,3-c]thiopyran-4(7H)-one; SCHEMBL2435080; CHEMBL1971491; 7H-thieno[3,2-d]thiopyran-4-one; ZINC1608423; NSC-603977; 7h-thieno-[2,3-c]thiopyran-4(5h)-one; 7H-Thieno[2,3-c]thiopyran-4(5H)-one; NCI60_004612"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603977	.	.	.	.	170.3	C7H6OS2	70.6	158	1.7	10	0	3	0	"InChI=1S/C7H6OS2/c8-6-3-9-4-7-5(6)1-2-10-7/h1-2H,3-4H2"	C1C2=C(C=CS2)C(=O)CS1	CVHNXSJXGCMRKF-UHFFFAOYSA-N
DG52660	"1,5-Bis(4-chlorophenyl)-2,5-dihydro-2,2-dimethyl-1H-imidazo(4,5-b)phenazine"	354039	"84803-71-4; 1,5-Bis(4-chlorophenyl)-2,5-dihydro-2,2-dimethyl-1H-imidazo(4,5-b)phenazine; NSC603989; 1,5-bis(4-chlorophenyl)-2,2-dimethylimidazo[4,5-b]phenazine; 1,5-BIS(4-CHLOROPHENYL)-2,5-DIHYDRO-2,2-DIMETHYL-1H-IMIDAZO[4,5-B]PHENAZINE; EINECS 284-199-1; NSC 603989; DTXSID00233851; ZINC1608429; NSC-603989; 1,5-bis(4-chlorophenyl)-2,2-dimethyl-imidazo[4,5-b]phenazine; 1,5-bis-(4-Chlorophenyl)-2,5-dihydro-2,2-dimethyl-1H-imidazo[4,5-b]phenazine; 1H-Imidazo[4,5-b]phenazine, 1,5-bis(4-chlorophenyl)-2,5-dihydro-2,2-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603989	.	.	.	.	471.4	C27H20Cl2N4	31.2	903	6.7	33	0	4	2	"InChI=1S/C27H20Cl2N4/c1-27(2)31-23-16-25-22(15-26(23)33(27)20-13-9-18(29)10-14-20)30-21-5-3-4-6-24(21)32(25)19-11-7-17(28)8-12-19/h3-16H,1-2H3"	CC1(N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)Cl)C=C2N1C6=CC=C(C=C6)Cl)C	HFSRYMCNSIJDJB-UHFFFAOYSA-N
DG52661	NSC604558	354083	[5-[3-[(9-Dimethylazaniumylidenebenzo[a]phenoxazin-5-yl)amino]propylamino]benzo[a]phenoxazin-9-ylidene]-dimethylazanium;chloride; NSC604558; 63617-54-9; DTXSID20326618; NSC-604558	.	.	Investigative Drug(s)	Investigative	Small molecular drug	604558	.	.	.	.	656.2	C39H36ClN6O2+	73.3	1380	.	48	2	7	6	"InChI=1S/C39H34N6O2.ClH/c1-44(2)24-14-16-30-34(20-24)46-36-22-32(26-10-5-7-12-28(26)38(36)42-30)40-18-9-19-41-33-23-37-39(29-13-8-6-11-27(29)33)43-31-17-15-25(45(3)4)21-35(31)47-37;/h5-8,10-17,20-23H,9,18-19H2,1-4H3;1H/p+1"	C[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)NCCCNC5=CC6=C(C7=CC=CC=C75)N=C8C=CC(=[N+](C)C)C=C8O6)OC2=C1)C.[Cl-]	HOTPTFYYKLGCNX-UHFFFAOYSA-O
DG52662	"2-(4-Iodobenzyl)ellipticine, hydrochloride"	354096	"NSC604574; CHEMBL68857; NSC-604574; 2-(4-Iodobenzyl)ellipticine, hydrochloride; 2H-Pyrido[4, 2-[(4-iodophenyl)methyl]-5,11-dimethyl-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	604574	.	.	.	.	498.8	C24H20ClIN2	19.7	517	.	28	1	1	2	"InChI=1S/C24H19IN2.ClH/c1-15-21-14-27(13-17-7-9-18(25)10-8-17)12-11-19(21)16(2)24-23(15)20-5-3-4-6-22(20)26-24;/h3-12,14H,13H2,1-2H3;1H"	CC1=C2C=C[N+](=CC2=C(C3=C1NC4=CC=CC=C43)C)CC5=CC=C(C=C5)I.[Cl-]	UTLRRQXGPHVVQQ-UHFFFAOYSA-N
DG52663	"4-Nitronaphtho[2,3-f][1,3]benzodioxole-5,10-dione"	354141	NSC604869; ZINC5759660; NSC-604869	.	.	Investigative Drug(s)	Investigative	Small molecular drug	604869	.	.	.	.	297.22	C15H7NO6	98.4	529	2.5	22	0	6	0	"InChI=1S/C15H7NO6/c17-13-7-3-1-2-4-8(7)14(18)11-9(13)5-10-15(22-6-21-10)12(11)16(19)20/h1-5H,6H2"	C1OC2=C(O1)C(=C3C(=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]	PPORIJGQJTZRNJ-UHFFFAOYSA-N
DG52664	"B676297K277 3',4'-chlorohydrin"	354175	"CHEMBL1966292; NSC605099; NSC-605099; B676297K277 3',4'-chlorohydrin; NCI60_004630"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	605099	.	.	.	.	376.8	C19H17ClO6	85.2	558	2.8	26	2	6	3	"InChI=1S/C19H17ClO6/c1-19(23,8-20)14-6-10-12(25-14)7-13(24-2)15-16(22)9-4-3-5-11(21)17(9)26-18(10)15/h3-5,7,14,21,23H,6,8H2,1-2H3"	CC(CCl)(C1CC2=C3C(=C(C=C2O1)OC)C(=O)C4=C(O3)C(=CC=C4)O)O	QDSRUIDWGNCDAY-UHFFFAOYSA-N
DG52665	"B676297K152 3',4'-Deoxypsorospermin"	354176	"NSC605100; B676297K152 3',4'-Deoxypsorospermin; CHEMBL2000124; NSC-605100; NCI60_004631"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	605100	.	.	.	.	324.3	C19H16O5	65	532	3.9	24	1	5	2	"InChI=1S/C19H16O5/c1-9(2)13-7-11-14(23-13)8-15(22-3)16-17(21)10-5-4-6-12(20)18(10)24-19(11)16/h4-6,8,13,20H,1,7H2,2-3H3"	CC(=C)C1CC2=C3C(=C(C=C2O1)OC)C(=O)C4=C(O3)C(=CC=C4)O	KTBULHGICAOTLC-UHFFFAOYSA-N
DG52666	"5,7-Bis(trifluoromethyl)-2,3-dihydroisothiazolo[2,3-a]azepine 1,1-dioxide"	354292	"NSC605440; CHEMBL1988307; ZINC1609122; 5,7-Bis(trifluoromethyl)-2,3-dihydroisothiazolo[2,3-a]azepine 1,1-dioxide; NSC-605440; NCI60_004634; Isothiazolo[2, 5,7-bis(trifluoromethyl)- 2,3-dihydro-, 1,1-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	605440	.	.	.	.	319.23	C10H7F6NO2S	45.8	618	1.8	20	0	9	0	"InChI=1S/C10H7F6NO2S/c11-9(12,13)6-3-7(10(14,15)16)5-17-8(4-6)1-2-20(17,18)19/h3-5H,1-2H2"	C1CS(=O)(=O)N2C1=CC(=CC(=C2)C(F)(F)F)C(F)(F)F	SPYVOADDHVSQOG-UHFFFAOYSA-N
DG52667	"N-(2-methoxy-4,5-dinitro-phenyl)butanamide"	354341	"NSC605763; CHEMBL1976122; ZINC5759799; NSC-605763; NCI60_004645; N-(2-methoxy-4,5-dinitro-phenyl)butanamide; N-(4,5-Bis(hydroxy(oxido)amino)-2-methoxyphenyl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	605763	.	.	.	.	283.24	C11H13N3O6	130	377	1.6	20	1	6	4	"InChI=1S/C11H13N3O6/c1-3-4-11(15)12-7-5-8(13(16)17)9(14(18)19)6-10(7)20-2/h5-6H,3-4H2,1-2H3,(H,12,15)"	CCCC(=O)NC1=CC(=C(C=C1OC)[N+](=O)[O-])[N+](=O)[O-]	ZYCBVSIJSINLPA-UHFFFAOYSA-N
DG52668	11-Hydroxymethyl-20(RS)-camptothecin	354395	"NSC606173; 11-Hydroxymethyl-20(RS)-camptothecin; CHEMBL300947; 4-Ethyl-4-hydroxy-8-(hydroxymethyl)-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; NCI60_004655; {1H-Pyrano[3',4':6,} {7]indolizino[1,2-b]quinoline-3,14(4H,12H)-} dione, 4-ethyl-4-hydroxy-8-(hydroxymethyl)-, (+-)-; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 4-ethyl-4-hydroxy-8-(hydroxymethyl)-, (+-)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606173	.	.	.	.	378.4	C21H18N2O5	100	790	0.1	28	2	6	2	"InChI=1S/C21H18N2O5/c1-2-21(27)15-7-17-18-13(6-12-4-3-11(9-24)5-16(12)22-18)8-23(17)19(25)14(15)10-28-20(21)26/h3-7,24,27H,2,8-10H2,1H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C(C=CC5=C4)CO)O	OMGTYUHDWOFQOZ-UHFFFAOYSA-N
DG52669	Annonacin	354398	"Annonacin; 111035-65-5; UNII-40372ET6TM; (2S)-2-methyl-4-[(2R,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one; 40372ET6TM; NSC606194; C35H64O7; CHEMBL67945; SCHEMBL14666180; DTXSID20892989; HY-N2877; 9095AF; ZINC43242049; NSC-606194; NCI60_004657; B83674F237; CS-0023456; C20213; Q2058866; 2(5H)-Furanone, 5-methyl-3-(2,8,13-trihydroxy-13-(tetrahydro-5-(1-hydroxytridecyl)-2-furanyl)tridecyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606194	.	.	.	.	596.9	C35H64O7	116	726	8.4	42	4	7	26	"InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30+,31+,32+,33+,34+/m0/s1"	CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCCC[C@@H](CCCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O)O	XNODZYPOIPVPRF-CGWDHHCXSA-N
DG52670	Dolastatin 11	354399	"Dolastatin 11; NSC606195; 111517-68-1; NSC 606195; CHEMBL507131; SCHEMBL1268644; ANTINEOPLASTIC-D606195; NSC-606195; From marine animal Dolabella auricularia; NCI60_004658; B720389K031; C16905; Cyclo(L-alanyl-(2S,3R)-3-amino-2-methylpentanoyl-(2S,3S)-2-hydroxy-3-methylpentanoylglycyl-N-methyl-L-leucylglycyl-N-methyl-L-valyl-N,O-dimethyl-L-tyrosyl-(4S)-4-amino-2,2-dimethyl-3-oxopentanoyl)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606195	.	.	.	.	985.2	C50H80N8O12	259	1870	5.1	70	5	12	9	"InChI=1S/C50H80N8O12/c1-17-29(7)41-46(65)52-25-38(59)56(13)36(23-27(3)4)44(63)51-26-39(60)58(15)40(28(5)6)47(66)57(14)37(24-33-19-21-34(69-16)22-20-33)45(64)53-31(9)42(61)50(11,12)49(68)54-32(10)43(62)55-35(18-2)30(8)48(67)70-41/h19-22,27-32,35-37,40-41H,17-18,23-26H2,1-16H3,(H,51,63)(H,52,65)(H,53,64)(H,54,68)(H,55,62)/t29-,30-,31-,32-,35+,36-,37-,40-,41-/m0/s1"	CC[C@@H]1[C@@H](C(=O)O[C@H](C(=O)NCC(=O)N([C@H](C(=O)NCC(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)C(C(=O)N[C@H](C(=O)N1)C)(C)C)C)CC2=CC=C(C=C2)OC)C)C(C)C)C)CC(C)C)C)[C@@H](C)CC)C	XOSLDLHSPLPVME-FKLVWXFWSA-N
DG52671	"6,6-Dimethyl-1-(3-nonylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride"	354440	NSC606398; CHEMBL1972775; NSC-606398	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606398	.	.	.	.	380	C20H34ClN5	80	469	.	26	3	1	9	"InChI=1S/C20H33N5.ClH/c1-4-5-6-7-8-9-10-12-16-13-11-14-17(15-16)25-19(22)23-18(21)24-20(25,2)3;/h11,13-15H,4-10,12H2,1-3H3,(H4,21,22,23,24);1H"	CCCCCCCCCC1=CC(=CC=C1)N2C(=NC(=NC2(C)C)N)N.Cl	LXYSMRWCLAIETP-UHFFFAOYSA-N
DG52672	"5,7a-Dimethyl-2-oxo-7-phenyl-2,6,7,7a-tetrahydro-1-benzofuran-3-carbonitrile"	354550	"NSC606566; CHEMBL1989389; NSC-606566; 5,7a-Dimethyl-2-oxo-7-phenyl-2,6,7,7a-tetrahydro-1-benzofuran-3-carbonitrile; NCI60_004678; 5,7a-dimethyl-2-oxo-7-phenyl-6,7-dihydrobenzofuran-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606566	.	.	.	.	265.31	C17H15NO2	50.1	557	2.4	20	0	3	1	"InChI=1S/C17H15NO2/c1-11-8-14(12-6-4-3-5-7-12)17(2)15(9-11)13(10-18)16(19)20-17/h3-7,9,14H,8H2,1-2H3"	CC1=CC2=C(C(=O)OC2(C(C1)C3=CC=CC=C3)C)C#N	BWPCOPALCNZLRA-UHFFFAOYSA-N
DG52673	"5,7a-Dimethyl-2-oxo-7-phenyl-2,6,7,7a-tetrahydro-1-benzofuran-3-carboxamide"	354551	"NSC606567; CHEMBL1971754; 5,7a-Dimethyl-2-oxo-7-phenyl-2,6,7,7a-tetrahydro-1-benzofuran-3-carboxamide; NSC-606567; NCI60_004679; 5,7a-dimethyl-2-oxo-7-phenyl-6,7-dihydrobenzofuran-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606567	.	.	.	.	283.32	C17H17NO3	69.4	554	2.1	21	1	3	2	"InChI=1S/C17H17NO3/c1-10-8-12(11-6-4-3-5-7-11)17(2)13(9-10)14(15(18)19)16(20)21-17/h3-7,9,12H,8H2,1-2H3,(H2,18,19)"	CC1=CC2=C(C(=O)OC2(C(C1)C3=CC=CC=C3)C)C(=O)N	DSRJHESEKMVRDL-UHFFFAOYSA-N
DG52674	5-(6-Amino-2-chloro-9-purinyl)-4-fluoro-2-(hydroxymethyl)-3-oxolanol	354624	"CHEMBL277800; 5-(6-amino-2-chloro-9-purinyl)-4-fluoro-2-(hydroxymethyl)-3-oxolanol; 491594-60-6; Clolar (Genzyme); SCHEMBL2887297; CHEBI:91901; HMS3269F07; HMS3654D03; BDBM50008368; NSC606869; 5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol; NSC-606869; SB17339; NCGC00167792-01; NCGC00389786-02; LS-13770; SY028644; Adenosine, 2-chloro-2'-deoxy-2'-fluoro-; FT-0601617; AB01273949-01; A805043; BRD-A82371568-001-01-5; Q27163698; Adenine, 2-chloro-9-(2-deoxy-2-fluoro-.beta.-D-arabinofuranosyl)-; (2R,3S)-5-(6-Amino-2-chloro-purin-9-yl)-4-fluoro-2-hydroxymethyl-tetrahydro-furan-3-ol; 5-(6-Amino-2-chloro-purin-9-yl)-4-fluoro-2-hydroxymethyl-tetrahydro-furan-3-ol; 5-(6-azanyl-2-chloranyl-purin-9-yl)-4-fluoranyl-2-(hydroxymethyl)oxolan-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606869	.	.	.	.	303.68	C10H11ClFN5O3	119	370	0.9	20	3	8	2	"InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)"	C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)F)Cl)N	WDDPHFBMKLOVOX-UHFFFAOYSA-N
DG52675	Campothecin analog	354677	"MLS000766263; NSC606985; SMR000528863; CAMPOTHECIN ANALOG; Glycine, 4-ethyl-3,4,12,14-tetrahydro-3,14-dioxo-1H- pyrano[3', 4':6,7]indolizino[1,2-b]quinolin-4-yl ester, (S)-, monohydrochloride; NSC-606985; cid_354677; SCHEMBL6115929; CHEMBL1518154; BDBM46549; 4-Ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl aminoacetate hydrochloride; Glycine,4,12,14-tetrahydro-3,14-dioxo-1H- pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl ester, (S)-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606985	.	.	.	.	441.9	C22H20ClN3O5	112	865	.	31	2	7	4	"InChI=1S/C22H19N3O5.ClH/c1-2-22(30-18(26)9-23)15-8-17-19-13(7-12-5-3-4-6-16(12)24-19)10-25(17)20(27)14(15)11-29-21(22)28;/h3-8H,2,9-11,23H2,1H3;1H"	CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CN.Cl	DPGPIFODEPGGKB-UHFFFAOYSA-N
DG52676	NSC606986	354680	"(19-Ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) 2-(methylamino)acetate; Camptothecin, N-methylglycinate ester; NSC606986; CHEMBL2010446; NCI60_004689; [ethyl(dioxo)[ ]yl] 2-(methylamino)acetate; 4-Ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl (methylamino)acetate hydrochloride; Glycine, N-methyl-, 4-ethyl-3,4,12,14-tetrahydro-3,14- {dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl} ester, monohydrochloride, (S)-; Glycine, N-methyl-, 4-ethyl-3,4,12,14-tetrahydro-3,14- dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl ester, monohydrochloride, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606986	.	.	.	.	419.4	C23H21N3O5	97.8	880	1.2	31	1	7	5	"InChI=1S/C23H21N3O5/c1-3-23(31-19(27)10-24-2)16-9-18-20-14(8-13-6-4-5-7-17(13)25-20)11-26(18)21(28)15(16)12-30-22(23)29/h4-9,24H,3,10-12H2,1-2H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CNC	VKZTYDFCSYWAFX-UHFFFAOYSA-N
DG52677	"2-[[4-[(2,4-Diaminopteridin-6-yl)methylamino]-3-fluoro-benzoyl]amino]pentanedioic acid; 2,2,2-trifluoroacetic acid"	354767	"NSC607301; CHEMBL1982461; NSC-607301; L-Glutamic acid,4-diamino-6-pteridinyl) methyl]amino]-3-fluorobenzoyl]-, trifluoroacetate; 2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-3-fluoro-benzoyl]amino]pentanedioic acid; 2,2,2-trifluoroacetic acid; N-(4-(((2,4-Diamino-6-pteridinyl)methyl)amino)-3-fluorobenzoyl)glutamic acid trifluoroacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	607301	.	.	.	.	572.4	C21H20F4N8O7	257	801	.	40	7	18	9	"InChI=1S/C19H19FN8O5.C2HF3O2/c20-10-5-8(17(31)26-12(18(32)33)3-4-13(29)30)1-2-11(10)23-6-9-7-24-16-14(25-9)15(21)27-19(22)28-16;3-2(4,5)1(6)7/h1-2,5,7,12,23H,3-4,6H2,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,24,27,28);(H,6,7)"	C1=CC(=C(C=C1C(=O)NC(CCC(=O)O)C(=O)O)F)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N.C(=O)(C(F)(F)F)O	YWGTVZUAUGVIJQ-UHFFFAOYSA-N
DG52678	"3-[4-(2,2-Diacetylethenyl)benzylidene]-2,4-pentanedione"	354777	"NSC607320; SCHEMBL9315389; CHEMBL1989803; ZINC1610066; NSC-607320; NCI60_004699; 1,4-bis-(2-acetyl-3-oxo-l-butenyl)benzene; 3-[4-(2,2-Diacetylethenyl)benzylidene]-2,4-pentanedione; 3-(4-(2-Acetyl-3-oxo-1-butenyl)benzylidene)-2,4-pentanedione; 3-[[4-(2-acetyl-3-oxo-but-1-enyl)phenyl]methylene]pentane-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	607320	.	.	.	.	298.3	C18H18O4	68.3	461	1.8	22	0	4	6	"InChI=1S/C18H18O4/c1-11(19)17(12(2)20)9-15-5-7-16(8-6-15)10-18(13(3)21)14(4)22/h5-10H,1-4H3"	CC(=O)C(=CC1=CC=C(C=C1)C=C(C(=O)C)C(=O)C)C(=O)C	GCFLTOLIWWOBOI-UHFFFAOYSA-N
DG52679	1-((2-Chloro-1-(chloromethyl)ethyl)thio)-4-fluorobenzene	354778	"NSC607347; NCIMech_000129; CHEMBL1978369; 1-((2-Chloro-1-(chloromethyl)ethyl)thio)-4-fluorobenzene; ZINC1610067; CCG-35265; NSC-607347; NCI60_004700; 2-Chloro-1-(chloromethyl)ethyl 4-fluorophenyl sulfide; 1-[2-chloro-1-(chloromethyl)ethyl]sulfanyl-4-fluoro-benzene; Benzene, 1-[[2-chloro-1-(chloromethyl)ethyl]thio]-4-fluoro-; Benzene, {1-[[2-chloro-1-(chloromethyl)ethyl]thio]-4-fluoro-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	607347	.	.	.	.	239.14	C9H9Cl2FS	25.3	134	3.8	13	0	2	4	"InChI=1S/C9H9Cl2FS/c10-5-9(6-11)13-8-3-1-7(12)2-4-8/h1-4,9H,5-6H2"	C1=CC(=CC=C1F)SC(CCl)CCl	LIWQRLJKDFATDY-UHFFFAOYSA-N
DG52680	2-Bromo-6-(5-(4-methoxyphenyl)-3-isoxazolyl)-4-methylphenol	355054	NSC607993; CHEMBL1979553; ZINC1610305; NSC-607993; NCI60_004715; 2-Bromo-6-(5-(4-methoxyphenyl)-3-isoxazolyl)-4-methylphenol; 2-bromo-6-[5-(4-methoxyphenyl)isoxazol-3-yl]-4-methyl-phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	607993	.	.	.	.	360.2	C17H14BrNO3	55.5	362	4.4	22	1	4	3	"InChI=1S/C17H14BrNO3/c1-10-7-13(17(20)14(18)8-10)15-9-16(22-19-15)11-3-5-12(21-2)6-4-11/h3-9,20H,1-2H3"	CC1=CC(=C(C(=C1)Br)O)C2=NOC(=C2)C3=CC=C(C=C3)OC	XCTYDHVGKNVUMM-UHFFFAOYSA-N
DG52681	NSC608003	355058	"Sodium;[5-[(2-amino-3-phenylpropanoyl)oxymethyl]-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-amino-3-phenylpropanoate;2,3,4,5,6-pentahydroxyhexanoic acid;chloride; NSC608003; CHEMBL2004026; NSC-608003; L-Phenylalanine,3,3a,3b,4,4a,5,7,7a,8,8a,8b-dodecahydro-1,3,5,7- tetraoxo-4,8-ethenopyrrolo[3',4':3,4]cyclobut[1,2-f] isoindole-2,6-diyl)bis(methylene) ester, compd. with D-gluconic acid and sodium chloride (1:2:2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	608003	.	.	.	.	881.3	C40H46ClN4NaO15	318	1440	.	61	8	18	17	"InChI=1S/C34H34N4O8.C6H12O7.ClH.Na/c35-21(13-17-7-3-1-4-8-17)33(43)45-15-37-29(39)25-19-11-12-20(26(25)30(37)40)24-23(19)27-28(24)32(42)38(31(27)41)16-46-34(44)22(36)14-18-9-5-2-6-10-18;7-1-2(8)3(9)4(10)5(11)6(12)13;;/h1-12,19-28H,13-16,35-36H2;2-5,7-11H,1H2,(H,12,13);1H;/q;;;+1/p-1"	C1=CC=C(C=C1)CC(C(=O)OCN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)COC(=O)C(CC7=CC=CC=C7)N)N.C(C(C(C(C(C(=O)O)O)O)O)O)O.[Na+].[Cl-]	NRRZIBNQPBLBOB-UHFFFAOYSA-M
DG52682	"1H-Benz[de]isoquinoline-1, 2,2'-[1,2-ethanediylbis(imino-3,1-propanediyl)]bis[5,8-dinitro-, dihydrochloride"	355134	"NSC608233; CHEMBL1977736; NSC615803; NSC-608233; NSC-615803; 1H-Benz[de]isoquinoline-1, 2,2'-[1,2- ethanediylbis(imino-3,1-propanediyl)]bis[5,8-dinitro-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615803	.	.	.	.	751.1	C32H27ClN8O12	282	1270	.	53	3	14	11	"InChI=1S/C32H26N8O12.ClH/c41-29-23-13-19(37(45)46)9-17-10-20(38(47)48)14-24(27(17)23)30(42)35(29)7-1-3-33-5-6-34-4-2-8-36-31(43)25-15-21(39(49)50)11-18-12-22(40(51)52)16-26(28(18)25)32(36)44;/h9-16,33-34H,1-8H2;1H"	C1=C2C=C(C=C3C2=C(C=C1[N+](=O)[O-])C(=O)N(C3=O)CCCNCCNCCCN4C(=O)C5=CC(=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].Cl	BKKSKIIDTWHAPV-UHFFFAOYSA-N
DG52683	"2,6-Bis(ethylaminoacetylamino)-9,10-anthraquinone"	355146	"CHEMBL1997011; NSC608329; SCHEMBL10526549; ZINC5760434; BDBM50440389; NSC-608329; NCI60_004723; 2,6-Bis(ethylaminoacetylamino)-9,10-anthraquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	608329	.	.	.	.	408.4	C22H24N4O4	116	612	1.2	30	4	6	8	"InChI=1S/C22H24N4O4/c1-3-23-11-19(27)25-13-5-7-15-17(9-13)21(29)16-8-6-14(10-18(16)22(15)30)26-20(28)12-24-4-2/h5-10,23-24H,3-4,11-12H2,1-2H3,(H,25,27)(H,26,28)"	CCNCC(=O)NC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)NC(=O)CNCC	OWIKGBYLJUIGMT-UHFFFAOYSA-N
DG52684	"3-(Dimethylaminomethyl)-7,8-dimethoxy-chroman-4-one"	355374	"NSC608776; CHEMBL2010140; NCI60_004736; 3-(dimethylaminomethyl)-7,8-dimethoxy-chroman-4-one; 3-((Dimethylamino)methyl)-7,8-dimethoxy-2,3-dihydro-4H-chromen-4-one hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	608776	.	.	.	.	265.3	C14H19NO4	48	321	1.4	19	0	5	4	"InChI=1S/C14H19NO4/c1-15(2)7-9-8-19-13-10(12(9)16)5-6-11(17-3)14(13)18-4/h5-6,9H,7-8H2,1-4H3"	CN(C)CC1COC2=C(C1=O)C=CC(=C2OC)OC	RRDYAYUAHOIMFI-UHFFFAOYSA-N
DG52685	2'-Glutaryltaxol-3-(dimethylamino)propylamide	355392	"NSC608832; Taxol, 2'-N-[3-(dimethylamino)propyl]glutaramate; NSC-608832; 2'-Glutaryltaxol-3-(dimethylamino)propylamide; Benzenepropanoic acid,5-dioxopentyl]oxy]-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)- 2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy- 4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4] benz[1,2-b]oxet-9-yl ester, [2aR-[2a.alpha.,4.beta.,4a.beta.,6.beta.,9.alpha.(.alpha.R*, .beta.S*),11.alpha.,12.alpha.,12a.alpha.,12b.alpha.]]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	608832	.	.	.	.	1088.6	C57H70ClN3O16	260	2200	.	77	5	17	24	"InChI=1S/C57H69N3O16.ClH/c1-33-39(73-53(69)47(74-43(65)27-18-26-42(64)58-28-19-29-60(7)8)45(36-20-12-9-13-21-36)59-51(67)37-22-14-10-15-23-37)31-57(70)50(75-52(68)38-24-16-11-17-25-38)48-55(6,40(63)30-41-56(48,32-71-41)76-35(3)62)49(66)46(72-34(2)61)44(33)54(57,4)5;/h9-17,20-25,39-41,45-48,50,63,70H,18-19,26-32H2,1-8H3,(H,58,64)(H,59,67);1H/t39-,40-,41 ,45 ,46+,47 ,48 ,50 ,55+,56 ,57+;/m0./s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](CC4C(C3C([C@@](C2(C)C)(C[C@@H]1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCCC(=O)NCCCN(C)C)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C.Cl	ZMYCRVJILUQQGH-QHKUZATPSA-N
DG52686	"2-((3,4-Dichloro-1-methyl-1H-pyrazol-5-yl)sulfinyl)ethyl isopropylcarbamate"	355403	"NSC608858; CHEMBL1966804; 2-((3,4-Dichloro-1-methyl-1H-pyrazol-5-yl)sulfinyl)ethyl isopropylcarbamate; NSC-608858; NCI60_004739; 2-(4,5-dichloro-2-methyl-pyrazol-3-yl)sulfinylethyl N-isopropylcarbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	608858	.	.	.	.	328.2	C10H15Cl2N3O3S	92.4	346	1.7	19	1	5	6	"InChI=1S/C10H15Cl2N3O3S/c1-6(2)13-10(16)18-4-5-19(17)9-7(11)8(12)14-15(9)3/h6H,4-5H2,1-3H3,(H,13,16)"	CC(C)NC(=O)OCCS(=O)C1=C(C(=NN1C)Cl)Cl	VFALHXWQOVJNQU-UHFFFAOYSA-N
DG52687	"2-(3,5-Bis(chloromethyl)-4-methoxyphenyl)-4H-thiochromen-4-one"	355507	"NSC609259; CHEMBL1991252; 2-(3,5-Bis(chloromethyl)-4-methoxyphenyl)-4H-thiochromen-4-one; ZINC1611129; NSC-609259; NCI60_004759; 2-[3,5-bis(chloromethyl)-4-methoxy-phenyl]thiochromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	609259	.	.	.	.	365.3	C18H14Cl2O2S	51.6	454	4.5	23	0	3	4	"InChI=1S/C18H14Cl2O2S/c1-22-18-12(9-19)6-11(7-13(18)10-20)17-8-15(21)14-4-2-3-5-16(14)23-17/h2-8H,9-10H2,1H3"	COC1=C(C=C(C=C1CCl)C2=CC(=O)C3=CC=CC=C3S2)CCl	XWYSIHSASQGMNP-UHFFFAOYSA-N
DG52688	1-(Acetyloxy)-2-(2-(1-(acetyloxy)-1H-benzimidazol-2-yl)phenyl)-1H-benzimidazole	355531	NSC609356; CHEMBL2006806; ZINC13219934; NSC-609356; 1-(Acetyloxy)-2-(2-(1-(acetyloxy)-1H-benzimidazol-2-yl)phenyl)-1H-benzimidazole; NCI60_004761; [2-[2-(1-acetoxybenzimidazol-2-yl)phenyl]benzimidazol-1-yl] acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	609356	.	.	.	.	426.4	C24H18N4O4	88.2	648	4.6	32	0	6	6	"InChI=1S/C24H18N4O4/c1-15(29)31-27-21-13-7-5-11-19(21)25-23(27)17-9-3-4-10-18(17)24-26-20-12-6-8-14-22(20)28(24)32-16(2)30/h3-14H,1-2H3"	CC(=O)ON1C2=CC=CC=C2N=C1C3=CC=CC=C3C4=NC5=CC=CC=C5N4OC(=O)C	BNCYAPIJYVVECD-UHFFFAOYSA-N
DG52689	3-Chloropropyl disulfide	355642	"3-chloropropyl disulfide; NSC609694; 1-Chloro-3-((3-chloropropyl)dithio)propane; 1-chloro-3-(3-chloropropyldisulfanyl)propane; Bis(3-chloropropyl)disulfide; Bis(3-chloropropyl) disulfide; Bis(3-chloropropyl) persulfide; Disulfide, bis(3-chloropropyl); CHEMBL1966651; SCHEMBL11562845; ZINC1611271; NSC-609694; 3586-41-2; NCI60_004768; 1-chloro-3-(3-chloro-propyldisulfanyl)-propane; 1-chloro-3-[(3-chloropropyl)disulfanyl]propane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	609694	.	.	.	.	219.2	C6H12Cl2S2	50.6	53.7	2.8	10	0	2	7	InChI=1S/C6H12Cl2S2/c7-3-1-5-9-10-6-2-4-8/h1-6H2	C(CSSCCCCl)CCl	GRSMNCKPBGIIFY-UHFFFAOYSA-N
DG52690	1-Chloro-3-(3-chloropropylsulfonylsulfanyl)propane	355643	"NSC609695; 1-chloro-3-(3-chloropropylsulfonylsulfanyl)propane; S-(3-Chloropropyl) 3-chloro-1-propanesulfonothioate; CHEMBL1984157; Disulfoxide, bis(3-chloropropyl); ZINC1611272; NSC-609695; bis(3-chloropropyl) disulfide,S-dioxide; NCI60_004769"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	609695	.	.	.	.	251.2	C6H12Cl2O2S2	67.8	186	1.9	12	0	3	7	"InChI=1S/C6H12Cl2O2S2/c7-3-1-5-11-12(9,10)6-2-4-8/h1-6H2"	C(CSS(=O)(=O)CCCCl)CCl	YCHXMSKECUPYAH-UHFFFAOYSA-N
DG52691	"2-Benzoylaminobenzamide, N-thiazol-2-yl-"	355710	"MLS003373923; NSC609815; 2-benzamido-N-thiazol-2-yl-benzamide; SMR001532190; 2-Benzoylaminobenzamide, N-thiazol-2-yl-; Maybridge1_003246; 2-benzamido-N-(1,3-thiazol-2-yl)benzamide; CBMicro_016577; Oprea1_683750; Oprea1_699156; cid_355710; CHEMBL1902259; BDBM95678; HMS550L12; ZINC144060; CCG-5392; 2-benzamido-N-(2-thiazolyl)benzamide; AKOS000661124; MCULE-6634600974; NSC-609815; NCI60_004773; BIM-0016373.P001; 2-(Benzoylamino)-N-(1,3-thiazol-2-yl)benzamide; SR-01000640805-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	609815	.	.	.	.	323.4	C17H13N3O2S	99.3	426	3.5	23	2	4	4	"InChI=1S/C17H13N3O2S/c21-15(12-6-2-1-3-7-12)19-14-9-5-4-8-13(14)16(22)20-17-18-10-11-23-17/h1-11H,(H,19,21)(H,18,20,22)"	C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=NC=CS3	XKDRMCXMNRVMDM-UHFFFAOYSA-N
DG52692	NSC609821	355716	"(4R,4aR,7S,8aS)-4,6,7-trihydroxy-2-[(2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-(6-methylheptan-2-yl)cyclopentyl]-8a-(hydroxymethyl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one; NSC609821; Herbasterol; NSC-609821; NCI60_004779"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	609821	.	.	.	.	468.7	C27H48O6	118	667	4.1	33	5	6	9	"InChI=1S/C27H48O6/c1-16(2)6-5-7-17(3)19-8-9-20(26(19,4)10-11-28)18-12-22(30)21-13-23(31)24(32)14-27(21,15-29)25(18)33/h16-24,28-32H,5-15H2,1-4H3/t17 ,18 ,19-,20 ,21+,22-,23 ,24+,26-,27-/m1/s1"	CC(C)CCCC(C)[C@H]1CCC([C@]1(C)CCO)C2C[C@H]([C@@H]3CC([C@H](C[C@@]3(C2=O)CO)O)O)O	UWPWCNUBZQKCGV-LBYIKTMNSA-N
DG52693	"5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one"	355799	"NSC610173; CHEMBL74541; ZINC1611398; 5-hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one; NSC-610173; NCI60_004783; 5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	610173	.	.	.	.	418.4	C21H22O9	102	622	3.4	30	1	9	7	"InChI=1S/C21H22O9/c1-24-11-9-14(27-4)20-15(16(11)22)17(23)21(29-6)18(30-20)10-7-12(25-2)19(28-5)13(8-10)26-3/h7-9,22H,1-6H3"	COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(C(=CC(=C3O2)OC)OC)O)OC	NRKZWKQNNBDASC-UHFFFAOYSA-N
DG52694	"1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile"	355876	"121105-78-0; 1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile; 1-chloro-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile; 1-Chloro-3-methyl-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile; MLS000708330; SMR000287797; 1-CHLORO-3-METHYL-BENZO(4,5)IMIDAZO(1,2-A)PYRIDINE-4-CARBONITRILE; NSC610507; ETHYL3-BUTENOATE; Oprea1_006254; Oprea1_398722; cid_355876; SCHEMBL2162680; CHEMBL1348803; BDBM68125; ZINC40847; DTXSID30326705; HMS2715E21; WEA10578; BBL012348; MFCD00649385; STK105094; AKOS000561786; MCULE-9749887740; NSC-610507; VS-03293; BB 0219298; CS-0219764; EN300-04882; J-504510; 1-chloro-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile; 1-chloranyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile; 1-chloro-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile; 1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile #; Pyrido[1,2-a]benzimidazole-4-carbonitrile, 1-chloro-3-methyl-; 4-CHLORO-2-METHYLBENZO[4,5]IMIDAZO[1,2-A]PYRIDIN-1-YL CYANIDE; 13-CHLORO-11-METHYL-1,8-DIAZATRICYCLO[7.4.0.0(2), ]TRIDECA-2(7),3,5,8,10,12-HEXAENE-10-CARBONITRILE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	610507	.	.	.	.	241.67	C13H8ClN3	41.1	350	4.2	17	0	2	0	"InChI=1S/C13H8ClN3/c1-8-6-12(14)17-11-5-3-2-4-10(11)16-13(17)9(8)7-15/h2-6H,1H3"	CC1=C(C2=NC3=CC=CC=C3N2C(=C1)Cl)C#N	AKFXQYMORAUSBD-UHFFFAOYSA-N
DG52695	"3-[5,6-Bis(methylsulfanyl)-3-oxo-1,2,4-triazin-2-yl]propanenitrile"	355930	"NSC610686; MLS003373926; CHEMBL2001168; ZINC1611536; 3-[5,6-bis(methylsulfanyl)-3-oxo-1,2,4-triazin-2-yl]propanenitrile; 3-(5,6-Bis(methylthio)-3-oxo-1,2,4-triazin-2(3H)-yl)propanenitrile; NSC-610686; NCI60_004795; SMR002048717"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	610686	.	.	.	.	242.3	C8H10N4OS2	119	368	1.1	15	0	5	4	"InChI=1S/C8H10N4OS2/c1-14-6-7(15-2)11-12(5-3-4-9)8(13)10-6/h3,5H2,1-2H3"	CSC1=NC(=O)N(N=C1SC)CCC#N	SOBJIRNJYUBYHI-UHFFFAOYSA-N
DG52696	"Imidazole, 1-(4-chlorophenyl)-4-(4-nitrophenyl)-"	355940	"NSC610744; Imidazole, 1-(4-chlorophenyl)-4-(4-nitrophenyl)-; MLS003373928; NCIMech_000042; 1-(4-chlorophenyl)-4-(4-nitrophenyl)imidazole; CHEMBL1984890; CCG-35287; ZINC13219945; NSC-610744; NCI60_004798; SMR002048719; 1-(4-Chlorophenyl)-4-(4-(hydroxy(oxido)amino)phenyl)-1H-imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	610744	.	.	.	.	299.71	C15H10ClN3O2	63.6	360	3.8	21	0	3	2	InChI=1S/C15H10ClN3O2/c16-12-3-7-13(8-4-12)18-9-15(17-10-18)11-1-5-14(6-2-11)19(20)21/h1-10H	C1=CC(=CC=C1C2=CN(C=N2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]	QTTWMQTWLLSYCK-UHFFFAOYSA-N
DG52697	"1-Methylchromeno[2,3-b]pyridine-2,5-dione"	355947	NSC610782; CHEMBL1978241; NSC-610782; NCI60_004801	.	.	Investigative Drug(s)	Investigative	Small molecular drug	610782	.	.	.	.	227.21	C13H9NO3	46.6	450	1.4	17	0	3	0	"InChI=1S/C13H9NO3/c1-14-11(15)7-6-9-12(16)8-4-2-3-5-10(8)17-13(9)14/h2-7H,1H3"	CN1C(=O)C=CC2=C1OC3=CC=CC=C3C2=O	ZIWQAZXRARQSIN-UHFFFAOYSA-N
DG52698	Antineoplastic-615804	355949	"NSC610794; CHEMBL1982301; ANTINEOPLASTIC-615804; NSC615804; NSC-610794; NSC-615804; 1H-Benz[de]isoquinoline-1, 2,2'-iminobis [[(2,1-ethanediyl)imino]-2,1-ethanediyl]bis[5-nitro-, trihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615804	.	.	.	.	676.1	C32H30ClN7O8	203	1150	.	48	4	11	12	"InChI=1S/C32H29N7O8.ClH/c40-29-23-5-1-3-19-15-21(38(44)45)17-25(27(19)23)31(42)36(29)13-11-34-9-7-33-8-10-35-12-14-37-30(41)24-6-2-4-20-16-22(39(46)47)18-26(28(20)24)32(37)43;/h1-6,15-18,33-35H,7-14H2;1H"	C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCNCCNCCNCCN4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-])[N+](=O)[O-].Cl	NEOHHBPEWKUZMN-UHFFFAOYSA-N
DG52699	"2-chloro-N-[6-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-2-yl]acetamide"	355988	NSC610965; SCHEMBL9630631; ZINC5765880; NSC-610965	.	.	Investigative Drug(s)	Investigative	Small molecular drug	610965	.	.	.	.	391.2	C18H12Cl2N2O4	92.3	560	2.5	26	2	4	4	"InChI=1S/C18H12Cl2N2O4/c19-7-15(23)21-9-1-3-11-13(5-9)18(26)12-4-2-10(22-16(24)8-20)6-14(12)17(11)25/h1-6H,7-8H2,(H,21,23)(H,22,24)"	C1=CC2=C(C=C1NC(=O)CCl)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)CCl	UOWJONPWYDMJFO-UHFFFAOYSA-N
DG52700	Free base of NSC 610966	355990	Free base of NSC 610966; NSC617076; SCHEMBL1727275; CHEMBL1989406; ZINC5765882; NSC-617076; NCI60_005107	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617076	.	.	.	.	380.4	C20H20N4O4	116	584	0.4	28	4	6	6	"InChI=1S/C20H20N4O4/c1-21-9-17(25)23-11-3-5-13-15(7-11)19(27)14-6-4-12(8-16(14)20(13)28)24-18(26)10-22-2/h3-8,21-22H,9-10H2,1-2H3,(H,23,25)(H,24,26)"	CNCC(=O)NC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)NC(=O)CNC	QOYOBSQVKHEJLZ-UHFFFAOYSA-N
DG52701	9-(9-Formylfluoren-9-yl)fluorene-9-carbaldehyde	355994	"Raptinal; 1176-09-6; 9-(9-formylfluoren-9-yl)fluorene-9-carbaldehyde; NSC610970; Raptinal;NSC 610970; Raptinal, >=95% (HPLC); SCHEMBL18759515; EX-A985; BAA17609; ZINC1611606; MFCD30480931; NSC-610970; HY-121320; CS-0081431; 9,9'-Bi[9H-fluorene]-9,9'-dicarbaldehyde; 9H,9'H-[9,9'-Bifluorene]-9,9'-dicarbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	610970	.	.	.	.	386.4	C28H18O2	34.1	580	4.9	30	0	2	3	InChI=1S/C28H18O2/c29-17-27(23-13-5-1-9-19(23)20-10-2-6-14-24(20)27)28(18-30)25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-18H	C1=CC=C2C(=C1)C3=CC=CC=C3C2(C=O)C4(C5=CC=CC=C5C6=CC=CC=C64)C=O	GLANOOJJBKXTMI-UHFFFAOYSA-N
DG52702	"3,4-Dihydroxynaphthalene-2-carboxylic acid"	356138	"3,4-dihydroxynaphthalene-2-carboxylic acid; 135203-71-3; 2-Naphthalenecarboxylic acid, 3,4-dihydroxy- (9CI); NSC611228; 1,2-Hydroxy-3-naphthoic acid; SCHEMBL3391301; CHEMBL1973481; 3,4-dihydroxy-2-naphthoic acid; ZINC1611750; NSC-611228; NCI60_004823"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	611228	.	.	.	.	204.18	C11H8O4	77.8	253	2.5	15	3	4	1	"InChI=1S/C11H8O4/c12-9-7-4-2-1-3-6(7)5-8(10(9)13)11(14)15/h1-5,12-13H,(H,14,15)"	C1=CC=C2C(=C1)C=C(C(=C2O)O)C(=O)O	BMHCSEJDJONPSF-UHFFFAOYSA-N
DG52703	"(4-Cyano-1'-methyl-2'-oxospiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2-yl)methyl acetate"	356178	NSC611261; CHEMBL1989512; NSC-611261; NCI60_004830	.	.	Investigative Drug(s)	Investigative	Small molecular drug	611261	.	.	.	.	393.4	C22H23N3O4	82.9	837	1.3	29	0	6	3	"InChI=1S/C22H23N3O4/c1-12(26)29-10-21-9-25(11-23)18-13-8-28-17(7-15(13)21)22(19(18)21)14-5-3-4-6-16(14)24(2)20(22)27/h3-6,13,15,17-19H,7-10H2,1-2H3"	CC(=O)OCC12CN(C3C1C4(C5CC2C3CO5)C6=CC=CC=C6N(C4=O)C)C#N	SOGKVFGISZZZLF-UHFFFAOYSA-N
DG52704	"4-Amino-1,2-dihydrobenz(cd)indol-2-one"	356218	"NSC611372; 4-amino-1,2-dihydrobenz(cd)indol-2-one; CHEMBL1987652; NSC-611372; 67522-42-3; NCI60_004841"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	611372	.	.	.	.	184.19	C11H8N2O	55.1	266	1.4	14	2	2	0	"InChI=1S/C11H8N2O/c12-7-4-6-2-1-3-9-10(6)8(5-7)11(14)13-9/h1-5H,12H2,(H,13,14)"	C1=CC2=CC(=CC3=C2C(=C1)NC3=O)N	MCVDZIQTLRBPKP-UHFFFAOYSA-N
DG52705	"Ethyl 4-acetyl-7-methyl-5,8,9,10-tetrahydroindolo[4,3-fg]quinoline-9-carboxylate"	356223	NSC611377; CHEMBL1977655; NSC-611377; NCI60_004843	.	.	Investigative Drug(s)	Investigative	Small molecular drug	611377	.	.	.	.	338.4	C20H22N2O3	49.8	551	2.5	25	0	4	3	"InChI=1S/C20H22N2O3/c1-4-25-20(24)14-8-16-15-6-5-7-17-19(15)13(11-22(17)12(2)23)9-18(16)21(3)10-14/h5-7,9,14H,4,8,10-11H2,1-3H3"	CCOC(=O)C1CC2=C(C=C3CN(C4=CC=CC2=C34)C(=O)C)N(C1)C	HIFGKEIANTWACZ-UHFFFAOYSA-N
DG52706	"Ethyl 2-cyano-2-(7-methoxy-3,4-dioxonaphthalen-1-yl)acetate"	356235	NSC611388; CHEMBL2004508; NSC-611388; NCI60_004847	.	.	Investigative Drug(s)	Investigative	Small molecular drug	611388	.	.	.	.	299.28	C16H13NO5	93.5	570	1.2	22	0	6	5	"InChI=1S/C16H13NO5/c1-3-22-16(20)13(8-17)12-7-14(18)15(19)10-5-4-9(21-2)6-11(10)12/h4-7,13H,3H2,1-2H3"	CCOC(=O)C(C#N)C1=CC(=O)C(=O)C2=C1C=C(C=C2)OC	WJOMOINXACWEMA-UHFFFAOYSA-N
DG52707	"3-Bromo-1-(2,5-dimethoxy-4-methylphenyl)-1-propanol"	356336	"NSC611750; 3-Bromo-1-(2,5-dimethoxy-4-methylphenyl)-1-propanol; CHEMBL2001031; NSC-611750; NCI60_004858; 3-bromo-1-(2,5-dimethoxy-4-methyl-phenyl)propan-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	611750	.	.	.	.	289.16	C12H17BrO3	38.7	201	2.5	16	1	3	5	"InChI=1S/C12H17BrO3/c1-8-6-12(16-3)9(7-11(8)15-2)10(14)4-5-13/h6-7,10,14H,4-5H2,1-3H3"	CC1=CC(=C(C=C1OC)C(CCBr)O)OC	JSDZDYSEHXFROL-UHFFFAOYSA-N
DG52708	"(7-acetamido-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl) ethyl carbonate"	356433	"NSC612115; 3-Ethoxycarbonyl-3-demethylcolchicine; NSC-612115; (7-acetamido-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl) ethyl carbonate; NCI60_004864; 7-(Acetylamino)-1,2,10-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-3-yl ethyl carbonate; 7-(Acetylamino)-1,2,10-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-3-yl ethyl carbonate #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	612115	.	.	.	.	457.5	C24H27NO8	109	861	1.6	33	1	8	8	"InChI=1S/C24H27NO8/c1-6-32-24(28)33-20-11-14-7-9-17(25-13(2)26)16-12-18(27)19(29-3)10-8-15(16)21(14)23(31-5)22(20)30-4/h8,10-12,17H,6-7,9H2,1-5H3,(H,25,26)"	CCOC(=O)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)OC)NC(=O)C)OC)OC	YLBOJVNAUCVADO-UHFFFAOYSA-N
DG52709	"7-(Acetylamino)-2-(acetyloxy)-1,10-dimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-3-yl acetate"	356434	"NSC612116; 2,3-Diacetyl-dedimethylcolchicine; NSC-612116; NCI60_004865; (7-acetamido-2-acetoxy-1,10-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl) acetate; 7-(Acetylamino)-2-(acetyloxy)-1,10-dimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-3-yl acetate; 7-(Acetylamino)-2-(acetyloxy)-1,10-dimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-3-yl acetate #; Acetamide, N-(5,6,7,9-tetrahydro-2,3-dihydroxy-1,10- {dimethoxy-9-oxobenzo[a]heptalen-7-yl)-,} diacetate (salt) (S)-; Acetamide,6,7,9-tetrahydro-2,3-dihydroxy-1,10- dimethoxy-9-oxobenzo[a]heptalen-7-yl)-, diacetate (salt) (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	612116	.	.	.	.	455.5	C24H25NO8	117	917	0.6	33	1	8	7	"InChI=1S/C24H25NO8/c1-12(26)25-18-8-6-15-10-21(32-13(2)27)23(33-14(3)28)24(31-5)22(15)16-7-9-20(30-4)19(29)11-17(16)18/h7,9-11,18H,6,8H2,1-5H3,(H,25,26)"	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC(=O)C)OC(=O)C	JOXUTUJJDZMYKT-UHFFFAOYSA-N
DG52710	"(1R,2R,7S)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carbaldehyde"	356542	NSC612828; CHEMBL1989807; NSC-612828; NCI60_004872	.	.	Investigative Drug(s)	Investigative	Small molecular drug	612828	.	.	.	.	344.4	C19H20O6	78.9	715	1.1	25	0	6	1	"InChI=1S/C19H20O6/c20-10-18-9-6-12-14(15(18)11(21)4-5-13(18)22)16-17(23-12)25-19(24-16)7-2-1-3-8-19/h4-6,10,14-17H,1-3,7-9H2/t14-,15-,16 ,17 ,18+/m1/s1"	C1CCC2(CC1)OC3[C@H]4[C@H]5C(=O)C=CC(=O)[C@]5(CC=C4OC3O2)C=O	WYQFWTFOBXWRLO-IUGQGLEPSA-N
DG52711	"1-(2,5,6,11-Tetramethylpyrido[4,3-b]carbazol-2-ium-9-yl)ethanone;iodide"	356564	NSC612941; CHEMBL1969379; NSC-612941	.	.	Investigative Drug(s)	Investigative	Small molecular drug	612941	.	.	.	.	444.3	C21H21IN2O	25.9	506	.	25	0	2	1	"InChI=1S/C21H21N2O.HI/c1-12-18-11-22(4)9-8-16(18)13(2)21-20(12)17-10-15(14(3)24)6-7-19(17)23(21)5;/h6-11H,1-5H3;1H/q+1;/p-1"	CC1=C2C=C[N+](=CC2=C(C3=C1N(C4=C3C=C(C=C4)C(=O)C)C)C)C.[I-]	HHEQXSRBVOUADZ-UHFFFAOYSA-M
DG52712	"1,5-Di(pyridin-3-yl)pentan-3-one"	356571	"NSC-612955; CHEMBL173615; SCHEMBL17183618; 1,5-di(pyridin-3-yl)pentan-3-one; NCI60_004875"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	612955	.	.	.	.	272.3	C15H16N2O3	83.3	284	-0.6	20	2	5	6	"InChI=1S/C15H16N2O3/c18-13(7-14(19)11-3-1-5-16-9-11)8-15(20)12-4-2-6-17-10-12/h1-6,9-10,14-15,19-20H,7-8H2"	C1=CC(=CN=C1)C(CC(=O)CC(C2=CN=CC=C2)O)O	OEGFNYOBXKSOKJ-UHFFFAOYSA-N
DG52713	"[6-(2,5-Dimethoxybenzoyl)pyridin-2-yl]-(2,5-dimethoxyphenyl)methanone"	356573	NSC612975; CHEMBL2001319; ZINC1612169; NSC-612975; NCI60_004877	.	.	Investigative Drug(s)	Investigative	Small molecular drug	612975	.	.	.	.	407.4	C23H21NO6	84	536	4.1	30	0	7	8	"InChI=1S/C23H21NO6/c1-27-14-8-10-20(29-3)16(12-14)22(25)18-6-5-7-19(24-18)23(26)17-13-15(28-2)9-11-21(17)30-4/h5-13H,1-4H3"	COC1=CC(=C(C=C1)OC)C(=O)C2=NC(=CC=C2)C(=O)C3=C(C=CC(=C3)OC)OC	QXQJEKOWKNVALS-UHFFFAOYSA-N
DG52714	N-[9-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide	356578	NSC613001; CHEMBL2001737; AKOS001010450; AKOS016876598; MCULE-3735234376; NSC-613001; NCI60_004878	.	.	Investigative Drug(s)	Investigative	Small molecular drug	613001	.	.	.	.	469.6	C23H31N5O4Si	111	684	.	33	2	7	7	"InChI=1S/C23H31N5O4Si/c1-23(2,3)33(4,5)31-12-17-16(29)11-18(32-17)28-14-26-19-20(24-13-25-21(19)28)27-22(30)15-9-7-6-8-10-15/h6-10,13-14,16-18,29H,11-12H2,1-5H3,(H,24,25,27,30)"	CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)O	BJZZQJFYKQPUGO-UHFFFAOYSA-N
DG52715	O-[5-(6-benzamidopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] methylsulfanylmethanethioate	356579	NSC613002; CHEMBL2003033; NSC-613002; NCI60_004879	.	.	Investigative Drug(s)	Investigative	Small molecular drug	613002	.	.	.	.	559.8	C25H33N5O4S2Si	158	810	.	37	1	9	10	"InChI=1S/C25H33N5O4S2Si/c1-25(2,3)37(5,6)32-13-18-17(34-24(35)36-4)12-19(33-18)30-15-28-20-21(26-14-27-22(20)30)29-23(31)16-10-8-7-9-11-16/h7-11,14-15,17-19H,12-13H2,1-6H3,(H,26,27,29,31)"	CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)OC(=S)SC	KRWSBTMVAZGCMH-UHFFFAOYSA-N
DG52716	"2-Methyl-6-[5-methyl-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxane-3,4,5-triol"	356592	NSC613056; CHEMBL1994630; NSC-613056; NCI60_004888	.	.	Investigative Drug(s)	Investigative	Small molecular drug	613056	.	.	.	.	371.5	C15H21N3O4S2	151	449	0.9	24	3	8	3	"InChI=1S/C15H21N3O4S2/c1-6-5-18(14-11(21)10(20)9(19)7(2)22-14)12-8(6)13(23-3)17-15(16-12)24-4/h5,7,9-11,14,19-21H,1-4H3"	CC1C(C(C(C(O1)N2C=C(C3=C2N=C(N=C3SC)SC)C)O)O)O	LPVXCJFKCYENAI-UHFFFAOYSA-N
DG52717	"Bis(8-chloro-6-(2-fluorophenyl)pyrrolo[3,4-d][2]benzazepin-2(4H)-yl)-N,N-dimethylmethanamine"	356626	"NSC613238; CHEMBL1993603; ZINC82190478; NSC-613238; NCI60_004891; 1,1-bis[8-chloro-6-(2-fluorophenyl)-4H-pyrrolo[3,4-d][2]benzazepin-2-yl]-N,N-dimethyl-methanamine; Bis(8-chloro-6-(2-fluorophenyl)pyrrolo[3,4-d][2]benzazepin-2(4H)-yl)-N,N-dimethylmethanamine; N-(Bis(8-chloro-6-(2-fluorophenyl)pyrrolo[3,4-d][2]benzazepin-2(4H)-yl)methyl)-N,N-dimethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	613238	.	.	.	.	676.6	C39H29Cl2F2N5	37.8	1110	8.3	48	0	5	5	"InChI=1S/C39H29Cl2F2N5/c1-46(2)39(47-19-23-17-44-37(29-7-3-5-9-35(29)42)31-15-25(40)11-13-27(31)33(23)21-47)48-20-24-18-45-38(30-8-4-6-10-36(30)43)32-16-26(41)12-14-28(32)34(24)22-48/h3-16,19-22,39H,17-18H2,1-2H3"	CN(C)C(N1C=C2CN=C(C3=C(C2=C1)C=CC(=C3)Cl)C4=CC=CC=C4F)N5C=C6CN=C(C7=C(C6=C5)C=CC(=C7)Cl)C8=CC=CC=C8F	DFHWUWIOMAVDCH-UHFFFAOYSA-N
DG52718	"4-Amino-1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone hydrochloride"	356653	"4-amino-1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone hydrochloride; MFCD01735988; 122111-05-1; NSC-613327; SCHEMBL6685259; CHEMBL1982111; 1'-Epi Gemcitabine (hydrochloride); AKOS015895121; MCULE-7666376311; SB17338; SY014538; FT-0626640; FT-0667898; A804845; 2 inverted exclamation mark -Deoxy-2 inverted exclamation mark ,2 inverted exclamation mark -difluorocytidine Hydrochloride; 4-Amino-1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-pyrimidin-2-one hydrochloride; 4-azanyl-1-[3,3-bis(fluoranyl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	613327	.	.	.	.	299.66	C9H12ClF2N3O4	108	426	.	19	4	6	2	"InChI=1S/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H"	C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F.Cl	OKKDEIYWILRZIA-UHFFFAOYSA-N
DG52719	"1-(3-(2,4-Dimethyl-5-(methylamino)-3,6-dioxo-1,4-cyclohexadien-1-yl)-3-methylbutanoyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione"	356667	"NSC613493; CHEMBL1997578; NSC-613493; 1-(3-(2,4-Dimethyl-5-(methylamino)-3,6-dioxo-1,4-cyclohexadien-1-yl)-3-methylbutanoyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione; NCI60_004901; 1-[3-[2,4-dimethyl-5-(methylamino)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]-3-methyl-butanoyl]-5-fluoro-pyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	613493	.	.	.	.	377.4	C18H20FN3O5	113	879	1.1	27	2	7	4	"InChI=1S/C18H20FN3O5/c1-8-12(15(25)13(20-5)9(2)14(8)24)18(3,4)6-11(23)22-7-10(19)16(26)21-17(22)27/h7,20H,6H2,1-5H3,(H,21,26,27)"	CC1=C(C(=O)C(=C(C1=O)C)NC)C(C)(C)CC(=O)N2C=C(C(=O)NC2=O)F	KXBBUWSRRKIONB-UHFFFAOYSA-N
DG52720	CDPI-trimer methyl ester	356692	NSC613575; CDPI-trimer methyl ester; CDPI trimer methyl ester; SCHEMBL889973; CHEMBL1972753; ZINC5766721; NSC-613575; NCI60_004904	.	.	Investigative Drug(s)	Investigative	Small molecular drug	613575	.	.	.	.	627.6	C35H29N7O5	161	1310	4.1	47	4	5	4	"InChI=1S/C35H29N7O5/c1-47-34(45)28-16-22-18-9-12-41(30(18)6-3-25(22)39-28)32(43)26-14-20-17-8-11-40(29(17)5-2-23(20)37-26)33(44)27-15-21-19-10-13-42(35(36)46)31(19)7-4-24(21)38-27/h2-7,14-16,37-39H,8-13H2,1H3,(H2,36,46)"	COC(=O)C1=CC2=C(N1)C=CC3=C2CCN3C(=O)C4=CC5=C(N4)C=CC6=C5CCN6C(=O)C7=CC8=C(N7)C=CC9=C8CCN9C(=O)N	VLRLXYPQDGAEDH-UHFFFAOYSA-N
DG52721	N-[4-[4-(acridin-9-ylamino)phenoxy]phenyl]acridin-9-amine	356733	NSC613662; CHEMBL533273; SCHEMBL10000193; ZINC5615438; NSC-613662	.	.	Investigative Drug(s)	Investigative	Small molecular drug	613662	.	.	.	.	554.6	C38H26N4O	59.1	769	9.7	43	2	5	6	"InChI=1S/C38H26N4O/c1-5-13-33-29(9-1)37(30-10-2-6-14-34(30)41-33)39-25-17-21-27(22-18-25)43-28-23-19-26(20-24-28)40-38-31-11-3-7-15-35(31)42-36-16-8-4-12-32(36)38/h1-24H,(H,39,41)(H,40,42)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)OC5=CC=C(C=C5)NC6=C7C=CC=CC7=NC8=CC=CC=C86	OGIFSVRLZMZUQH-UHFFFAOYSA-N
DG52722	"7,11-Bis(phenylmethoxy)-3,9-diaza-1-azoniatricyclo[8.4.0.03,8]tetradeca-1(14),4,6,8,10,12-hexaene;iodide"	356739	NSC613690; CHEMBL2004133; NSC-613690	.	.	Investigative Drug(s)	Investigative	Small molecular drug	613690	.	.	.	.	523.4	C25H22IN3O2	37.9	609	.	31	0	4	6	"InChI=1S/C25H22N3O2.HI/c1-3-9-20(10-4-1)17-29-22-13-7-15-27-19-28-16-8-14-23(25(28)26-24(22)27)30-18-21-11-5-2-6-12-21;/h1-16H,17-19H2;1H/q+1;/p-1"	C1N2C=CC=C(C2=NC3=C(C=CC=[N+]31)OCC4=CC=CC=C4)OCC5=CC=CC=C5.[I-]	PDPYNYNGKFLMKP-UHFFFAOYSA-M
DG52723	"N-(1,3-benzodioxol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)acetamide"	356825	MLS003373942; NSC614314; CHEMBL1874128; ZINC1612390; NSC-614314; SMR002048732	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614314	.	.	.	.	375.4	C23H21NO4	56.8	485	3.9	28	1	4	7	"InChI=1S/C23H21NO4/c25-23(24-14-19-8-11-21-22(12-19)28-16-27-21)13-17-6-9-20(10-7-17)26-15-18-4-2-1-3-5-18/h1-12H,13-16H2,(H,24,25)"	C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4	QIKBFMMXWUXFME-UHFFFAOYSA-N
DG52724	"Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-"	356942	"MLS002701748; CHEMBL1969951; NSC614496; NSC-614496; NCI60_004933; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614496	.	.	.	.	384.4	C21H20O7	83.4	583	2.8	28	1	7	3	"InChI=1S/C21H20O7/c1-24-16-5-11(6-17(25-2)20(16)22)18-13-7-15-14(27-9-28-15)4-10(13)3-12-8-26-21(23)19(12)18/h4-7,12,18-19,22H,3,8-9H2,1-2H3/t12-,18-,19 /m1/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2C3[C@H](CC4=CC5=C(C=C24)OCO5)COC3=O	RFDMNXDDRXVJTM-SDLZTHIVSA-N
DG52725	1-(2-aminophenyl)-3-(1H-indol-3-yl)propan-1-one	356984	NSC614539; CHEMBL1995887; ZINC1612531; NSC-614539; NCI60_004935	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614539	.	.	.	.	264.32	C17H16N2O	58.9	344	3.4	20	2	2	4	"InChI=1S/C17H16N2O/c18-15-7-3-1-6-14(15)17(20)10-9-12-11-19-16-8-4-2-5-13(12)16/h1-8,11,19H,9-10,18H2"	C1=CC=C2C(=C1)C(=CN2)CCC(=O)C3=CC=CC=C3N	LVHULLKMESBEIG-UHFFFAOYSA-N
DG52726	"(1S,6S,7R,8R,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-1,6,7,8-tetrol"	356986	"NSC614552; MLS003389357; CHEMBL1980354; SCHEMBL13666292; NSC-614552; NCI60_004936; A839766; (1S,6S,7R,8R,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-1,6,7,8-tetrol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614552	.	.	.	.	189.21	C8H15NO4	84.2	201	-2.2	13	4	5	0	"InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5 ,6+,7+,8 /m0/s1"	C1CN2CC([C@H](C([C@H]2[C@H]1O)O)O)O	JDVVGAQPNNXQDW-OMVCODFRSA-N
DG52727	"2-Chloro-N-(4,10-dimethyl-2,6-dioxo-2H,6H-pyrano[3,2-g]chromen-3-yl)acetamide"	356997	"NSC614566; CHEMBL1996444; ZINC1612543; NSC-614566; 2-Chloro-N-(4,10-dimethyl-2,6-dioxo-2H,6H-pyrano[3,2-g]chromen-3-yl)acetamide; NCI60_004939; 2-chloro-N-(4,10-dimethyl-2,6-dioxo-pyrano[3,2-g]chromen-3-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614566	.	.	.	.	333.72	C16H12ClNO5	81.7	626	1.8	23	1	5	2	"InChI=1S/C16H12ClNO5/c1-7-9-5-10-11(19)3-4-22-14(10)8(2)15(9)23-16(21)13(7)18-12(20)6-17/h3-5H,6H2,1-2H3,(H,18,20)"	CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=O)C=CO3)C)NC(=O)CCl	RIMSJNVASQUWBB-UHFFFAOYSA-N
DG52728	Pdtpt	357140	"PDTPT; NSC615035; MLS003373948; CHEMBL1986829; NSC-615035; 3-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-phenyl-5-pyridin-4-yl-2H-tetrazol-3-ium bromide; 4,5-dimethyl-2-[3-phenyl-5-(4-pyridyl)tetrazol-2-ium-2-yl]thiazole; Tetrazolium,5-dimethyl-2-thiazolyl)-2-phenyl-4-(4-pyridyl)-,bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615035	.	.	.	.	415.3	C17H15BrN6S	88.6	412	.	25	0	6	3	"InChI=1S/C17H15N6S.BrH/c1-12-13(2)24-17(19-12)23-21-16(14-8-10-18-11-9-14)20-22(23)15-6-4-3-5-7-15;/h3-11H,1-2H3;1H/q+1;/p-1"	CC1=C(SC(=N1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=NC=C4)C.[Br-]	MWQYGERRFZWKHL-UHFFFAOYSA-M
DG52729	NSC615441	357254	"15-[3-[2-[3-(14,16-Dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-15-yl)propylamino]ethylamino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;hydrochloride; NSC615441; CHEMBL1984595; NSC-615441; 1H-Dibenz[de,3-dione, 2,2'- [(1,2-ethanediyldiamino)bis(1,3-propanediyl)] bis[2,3-dihydro-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615441	.	.	.	.	671.2	C40H35ClN4O4	98.8	1130	.	49	3	6	11	"InChI=1S/C40H34N4O4.ClH/c45-37-31-15-5-11-27-23-25-9-1-3-13-29(25)35(33(27)31)39(47)43(37)21-7-17-41-19-20-42-18-8-22-44-38(46)32-16-6-12-28-24-26-10-2-4-14-30(26)36(34(28)32)40(44)48;/h1-6,9-16,23-24,41-42H,7-8,17-22H2;1H"	C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C(=O)N(C4=O)CCCNCCNCCCN5C(=O)C6=CC=CC7=CC8=CC=CC=C8C(=C76)C5=O.Cl	VCOMKMHCWKRIDJ-UHFFFAOYSA-N
DG52730	"2-[2-[2-(5,8-Dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-methylamino]ethyl]-5,8-dinitrobenzo[de]isoquinoline-1,3-dione"	357257	NSC615443; CHEMBL2000451; NSC-615443; NCI60_004982	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615443	.	.	.	.	657.5	C29H19N7O12	261	1220	3.4	48	0	13	6	"InChI=1S/C29H19N7O12/c1-30(2-4-31-26(37)20-10-16(33(41)42)6-14-7-17(34(43)44)11-21(24(14)20)27(31)38)3-5-32-28(39)22-12-18(35(45)46)8-15-9-19(36(47)48)13-23(25(15)22)29(32)40/h6-13H,2-5H2,1H3"	CN(CCN1C(=O)C2=CC(=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])[N+](=O)[O-])CCN4C(=O)C5=CC(=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-])[N+](=O)[O-]	KZQUWCFQFIZGKN-UHFFFAOYSA-N
DG52731	"2,1,3-Benzoselenadiazol-5-yl(phenyl)methanone"	357318	"2,1,3-benzoselenadiazol-5-yl(phenyl)methanone; NSC615552; CHEMBL1983583; STK680281; AKOS001746249; MCULE-3235660294; NSC-615552; NCI60_004995"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615552	.	.	.	.	287.19	C13H8N2OSe	42.8	291	.	17	0	3	2	InChI=1S/C13H8N2OSe/c16-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)15-17-14-11/h1-8H	C1=CC=C(C=C1)C(=O)C2=CC3=N[Se]N=C3C=C2	RQTVFTLQGUCIGW-UHFFFAOYSA-N
DG52732	"6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione"	357328	NSC615578; CHEMBL2004894; NSC-615578; NCI60_004999	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615578	.	.	.	.	248.3	C12H12N2O2S	65.9	352	1.8	17	0	3	1	"InChI=1S/C12H12N2O2S/c1-8-2-4-9(5-3-8)14-11(15)10-6-17-7-13(10)12(14)16/h2-5,10H,6-7H2,1H3"	CC1=CC=C(C=C1)N2C(=O)C3CSCN3C2=O	MWMWTFFHMXEJNL-UHFFFAOYSA-N
DG52733	Cycleanine plus mixture of other alkaloids	357329	NSC615580; CHEMBL1983719; DTXSID30326780; HMS3327A22; Cycleanine plus mixture of other alkaloids; NCI60_005000; 16846-79-0	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615580	.	.	.	.	622.7	C38H42N2O6	61.9	895	6.7	46	0	8	4	"InChI=1S/C38H42N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-7-11-28(12-8-23)46-38-34-26(22-32(42-4)36(38)44-6)16-18-40(2)30(34)20-24-9-13-27(45-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3"	CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5OC)OC)C)OC)OC	ANOXEUSGZWSCQL-UHFFFAOYSA-N
DG52734	"4-butyl-1,2-diphenyl-4-(9H-xanthen-9-yl)pyrazolidine-3,5-dione"	357337	NSC615604; CHEMBL2006088; NSC-615604; NCI60_005009	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615604	.	.	.	.	488.6	C32H28N2O3	49.8	759	7.3	37	0	3	6	"InChI=1S/C32H28N2O3/c1-2-3-22-32(29-25-18-10-12-20-27(25)37-28-21-13-11-19-26(28)29)30(35)33(23-14-6-4-7-15-23)34(31(32)36)24-16-8-5-9-17-24/h4-21,29H,2-3,22H2,1H3"	CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C4C5=CC=CC=C5OC6=CC=CC=C46	CVPRQMOZWZABTR-UHFFFAOYSA-N
DG52735	N-[2-(dimethylamino)ethyl]anthracene-9-carboxamide;hydrochloride	357356	NSC615791; CHEMBL1987672; NSC-615791	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615791	.	.	.	.	328.8	C19H21ClN2O	32.299	360	.	23	2	2	4	"InChI=1S/C19H20N2O.ClH/c1-21(2)12-11-20-19(22)18-16-9-5-3-7-14(16)13-15-8-4-6-10-17(15)18;/h3-10,13H,11-12H2,1-2H3,(H,20,22);1H"	CN(C)CCNC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31.Cl	FCRNFZYYTWWSDB-UHFFFAOYSA-N
DG52736	"2-(2,2-dimethoxyethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione"	357360	"NSC615794; CHEMBL1986485; ZINC4280218; STK807039; AKOS000807750; MCULE-7795850388; NSC-615794; NCI60_005016; 10.14272/IPQNHLBUWYQHDL-UHFFFAOYSA-N.1; SR-01000259932; doi:10.14272/IPQNHLBUWYQHDL-UHFFFAOYSA-N.1; SR-01000259932-1; 2-(2,2-dimethoxyethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615794	.	.	.	.	285.29	C16H15NO4	55.8	391	2	21	0	4	4	"InChI=1S/C16H15NO4/c1-20-13(21-2)9-17-15(18)11-7-3-5-10-6-4-8-12(14(10)11)16(17)19/h3-8,13H,9H2,1-2H3"	COC(CN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)OC	IPQNHLBUWYQHDL-UHFFFAOYSA-N
DG52737	"2-(5-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetonitrile"	357362	NSC615796; CHEMBL1965434; NSC-615796; NCI60_005017	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615796	.	.	.	.	281.22	C14H7N3O4	107	546	1.8	21	0	5	1	"InChI=1S/C14H7N3O4/c15-4-5-16-13(18)10-3-1-2-8-6-9(17(20)21)7-11(12(8)10)14(16)19/h1-3,6-7H,5H2"	C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CC#N)[N+](=O)[O-]	HFVVAPGCEBYDEK-UHFFFAOYSA-N
DG52738	"Ethyl 2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetate"	357363	NSC615797; SCHEMBL4100436; CHEMBL2002880; NSC-615797; NCI60_005018	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615797	.	.	.	.	328.28	C16H12N2O6	110	571	2.3	24	0	6	4	"InChI=1S/C16H12N2O6/c1-2-24-13(19)8-17-15(20)11-5-3-4-9-6-10(18(22)23)7-12(14(9)11)16(17)21/h3-7H,2,8H2,1H3"	CCOC(=O)CN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-]	ASFKDMGPCIPEQK-UHFFFAOYSA-N
DG52739	"2-(5,8-Dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetonitrile"	357364	"NSC615798; CHEMBL1968703; NSC-615798; NCI60_005019; 2-(5,8-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetonitrile; (5,8-Bis(hydroxy(oxido)amino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615798	.	.	.	.	326.22	C14H6N4O6	153	612	1.6	24	0	7	1	"InChI=1S/C14H6N4O6/c15-1-2-16-13(19)10-5-8(17(21)22)3-7-4-9(18(23)24)6-11(12(7)10)14(16)20/h3-6H,2H2"	C1=C2C=C(C=C3C2=C(C=C1[N+](=O)[O-])C(=O)N(C3=O)CC#N)[N+](=O)[O-]	CHVJOXFYZZUEJR-UHFFFAOYSA-N
DG52740	"Ethyl 2-(5,8-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate"	357365	"NSC615799; CHEMBL1966349; NSC-615799; NCI60_005020; ethyl 2-(5,8-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate; {1H-Benz[de]isoquinoline-2(3H)-acetic} acid, 5,8-dinitro- 1, 3-dioxo-, ethyl ester; 1H-Benz[de]isoquinoline-2(3H)-acetic acid,8-dinitro- 1,3-dioxo-, ethyl ester; Ethyl (5,8-bis(hydroxy(oxido)amino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615799	.	.	.	.	373.27	C16H11N3O8	155	638	2.1	27	0	8	4	"InChI=1S/C16H11N3O8/c1-2-27-13(20)7-17-15(21)11-5-9(18(23)24)3-8-4-10(19(25)26)6-12(14(8)11)16(17)22/h3-6H,2,7H2,1H3"	CCOC(=O)CN1C(=O)C2=CC(=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])[N+](=O)[O-]	GYNLBAFRUMWVHC-UHFFFAOYSA-N
DG52741	8-[2-(Dimethylamino)ethyl-methylcarbamoyl]naphthalene-1-carboxylic acid	357368	NSC615801; CHEMBL1986097; NSC-615801; NCI60_005022	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615801	.	.	.	.	300.35	C17H20N2O3	60.8	411	-0.3	22	1	4	5	"InChI=1S/C17H20N2O3/c1-18(2)10-11-19(3)16(20)13-8-4-6-12-7-5-9-14(15(12)13)17(21)22/h4-9H,10-11H2,1-3H3,(H,21,22)"	CN(C)CCN(C)C(=O)C1=CC=CC2=C1C(=CC=C2)C(=O)O	AOXYEPUQIIYPMW-UHFFFAOYSA-N
DG52742	NSC615802	357369	"2-[3-[Methyl-[2-[methyl-[3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]amino]ethyl]amino]propyl]-5-nitrobenzo[de]isoquinoline-1,3-dione;hydrochloride; NSC615802; CHEMBL1990956; NSC-615802"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615802	.	.	.	.	689.1	C34H33ClN6O8	173	1190	.	49	1	10	11	"InChI=1S/C34H32N6O8.ClH/c1-35(11-5-13-37-31(41)25-9-3-7-21-17-23(39(45)46)19-27(29(21)25)33(37)43)15-16-36(2)12-6-14-38-32(42)26-10-4-8-22-18-24(40(47)48)20-28(30(22)26)34(38)44;/h3-4,7-10,17-20H,5-6,11-16H2,1-2H3;1H"	CN(CCCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])CCN(C)CCCN4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-].Cl	IGHUBFKZSFOTSM-UHFFFAOYSA-N
DG52743	4-Tert-Butyl-1-phenyl-cyclohexanol	357449	NSC616273; 4-Tert-Butyl-1-phenyl-cyclohexanol; compound with 4-tert-butyl-1-phenyl-cyclohexanol; CHEMBL3349175; NSC-616273; NCI60_005050	.	.	Investigative Drug(s)	Investigative	Small molecular drug	616273	.	.	.	.	464.7	C32H48O2	40.5	237	.	34	2	2	4	"InChI=1S/2C16H24O/c2*1-15(2,3)13-9-11-16(17,12-10-13)14-7-5-4-6-8-14/h2*4-8,13,17H,9-12H2,1-3H3"	CC(C)(C)C1CCC(CC1)(C2=CC=CC=C2)O.CC(C)(C)C1CCC(CC1)(C2=CC=CC=C2)O	MWEHKQXZMOTZHW-UHFFFAOYSA-N
DG52744	9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-amine	357470	NSC616355; CHEMBL1988865; NSC-616355; NCI60_005054	.	.	Investigative Drug(s)	Investigative	Small molecular drug	616355	.	.	.	.	349.5	C16H27N5O2Si	88.1	445	.	24	1	6	5	"InChI=1S/C16H27N5O2Si/c1-16(2,3)24(4,5)22-8-11-6-7-12(23-11)21-10-20-13-14(17)18-9-19-15(13)21/h9-12H,6-8H2,1-5H3,(H2,17,18,19)"	CC(C)(C)[Si](C)(C)OCC1CCC(O1)N2C=NC3=C(N=CN=C32)N	KGDNLTOAOQTVGA-UHFFFAOYSA-N
DG52745	"9H-Purin-6-amine,1-dimethylethyl)dimethylsilyl oxy]methyl]-2,5-dihydrofuran-2-yl)]-"	357471	"NSC616356; CHEMBL1979335; NSC-616356; NCI60_005055; 9H-Purin-6-amine,1-dimethylethyl)dimethylsilyl oxy]methyl]-2,5-dihydrofuran-2-yl)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	616356	.	.	.	.	347.49	C16H25N5O2Si	88.1	482	.	24	1	6	5	"InChI=1S/C16H25N5O2Si/c1-16(2,3)24(4,5)22-8-11-6-7-12(23-11)21-10-20-13-14(17)18-9-19-15(13)21/h6-7,9-12H,8H2,1-5H3,(H2,17,18,19)"	CC(C)(C)[Si](C)(C)OCC1C=CC(O1)N2C=NC3=C(N=CN=C32)N	JROPDPSZZDSLDJ-UHFFFAOYSA-N
DG52746	"4-(6-Aminopurin-9-yl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2-thione"	357472	NSC616357; CHEMBL1967369; NSC-616357; NCI60_005056	.	.	Investigative Drug(s)	Investigative	Small molecular drug	616357	.	.	.	.	423.6	C17H25N5O4SSi	139	621	.	28	1	9	5	"InChI=1S/C17H25N5O4SSi/c1-17(2,3)28(4,5)23-6-9-11-12(26-16(27)25-11)15(24-9)22-8-21-10-13(18)19-7-20-14(10)22/h7-9,11-12,15H,6H2,1-5H3,(H2,18,19,20)"	CC(C)(C)[Si](C)(C)OCC1C2C(C(O1)N3C=NC4=C(N=CN=C43)N)OC(=S)O2	BPEOZWDRWRDXPZ-UHFFFAOYSA-N
DG52747	[5-(6-Aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate	357473	NSC616358; CHEMBL1992008; NSC-616358; NCI60_005057	.	.	Investigative Drug(s)	Investigative	Small molecular drug	616358	.	.	.	.	443.6	C17H29N5O5SSi	140	683	.	29	1	9	7	"InChI=1S/C17H29N5O5SSi/c1-17(2,3)29(5,6)25-8-12-11(27-28(4,23)24)7-13(26-12)22-10-21-14-15(18)19-9-20-16(14)22/h9-13H,7-8H2,1-6H3,(H2,18,19,20)"	CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=NC3=C(N=CN=C32)N)OS(=O)(=O)C	HCVLSAYBYNJZIU-UHFFFAOYSA-N
DG52748	[5-(6-Aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-methoxymethanethione	357474	NSC616359; CHEMBL1969988; NSC-616359; NCI60_005058	.	.	Investigative Drug(s)	Investigative	Small molecular drug	616359	.	.	.	.	439.6	C18H29N5O4SSi	139	593	.	29	1	9	8	"InChI=1S/C18H29N5O4SSi/c1-18(2,3)29(5,6)25-8-12-11(27-17(28)24-4)7-13(26-12)23-10-22-14-15(19)20-9-21-16(14)23/h9-13H,7-8H2,1-6H3,(H2,19,20,21)"	CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=NC3=C(N=CN=C32)N)OC(=S)OC	ZNDKKCUUVXIWFC-UHFFFAOYSA-N
DG52749	"[7-Benzyl-6-bromo-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidin-5-yl]methanol"	357482	NSC616511; CHEMBL1989479; NSC-616511; NCI60_005064	.	.	Investigative Drug(s)	Investigative	Small molecular drug	616511	.	.	.	.	410.4	C16H16BrN3OS2	102	386	4	23	1	5	5	"InChI=1S/C16H16BrN3OS2/c1-22-15-12-11(9-21)13(17)20(8-10-6-4-3-5-7-10)14(12)18-16(19-15)23-2/h3-7,21H,8-9H2,1-2H3"	CSC1=NC(=NC2=C1C(=C(N2CC3=CC=CC=C3)Br)CO)SC	UMRYQGGTZZGUNQ-UHFFFAOYSA-N
DG52750	3-[[1-[3-(3-Methoxyanilino)-3-oxopropanoyl]-5-oxo-3-phenylpyrazolidin-4-yl]diazenyl]benzoic acid	357543	NSC617007; CHEMBL2000416; NSC-617007; NCI60_005070	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617007	.	.	.	.	501.5	C26H23N5O6	150	876	1.3	37	3	9	8	"InChI=1S/C26H23N5O6/c1-37-20-12-6-10-18(14-20)27-21(32)15-22(33)31-25(34)24(23(30-31)16-7-3-2-4-8-16)29-28-19-11-5-9-17(13-19)26(35)36/h2-14,23-24,30H,15H2,1H3,(H,27,32)(H,35,36)"	COC1=CC=CC(=C1)NC(=O)CC(=O)N2C(=O)C(C(N2)C3=CC=CC=C3)N=NC4=CC=CC(=C4)C(=O)O	AKGOVXFIVQEQNZ-UHFFFAOYSA-N
DG52751	"N-(4-chlorophenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide"	357547	NSC617011; CHEMBL1972095; NSC-617011; NCI60_005074	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617011	.	.	.	.	539	C30H23ClN4O2S	90.3	866	6.2	38	1	4	5	"InChI=1S/C30H23ClN4O2S/c31-21-14-16-22(17-15-21)32-29(36)19-30(37)35-25(20-8-2-1-3-9-20)18-28(33-35)34-23-10-4-6-12-26(23)38-27-13-7-5-11-24(27)34/h1-17,25H,18-19H2,(H,32,36)"	C1C(N(N=C1N2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)CC(=O)NC5=CC=C(C=C5)Cl)C6=CC=CC=C6	ZYCWKYISQGBJSK-UHFFFAOYSA-N
DG52752	"N-(2-methoxyphenyl)-3-oxo-3-[2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]hydrazinyl]propanamide"	357548	NSC617012; CHEMBL2001558; NSC-617012; NCI60_005075	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617012	.	.	.	.	439.5	C21H21N5O4S	150	617	2.8	31	4	7	9	"InChI=1S/C21H21N5O4S/c1-30-17-10-6-5-9-15(17)23-18(27)11-19(28)26-22-12-20(29)25-21-24-16(13-31-21)14-7-3-2-4-8-14/h2-10,13,22H,11-12H2,1H3,(H,23,27)(H,26,28)(H,24,25,29)"	COC1=CC=CC=C1NC(=O)CC(=O)NNCC(=O)NC2=NC(=CS2)C3=CC=CC=C3	LYLLOCCKVDDWBX-UHFFFAOYSA-N
DG52753	1-Benzyl-4-methyl-1-phenylphosphepan-1-ium;bromide	357562	NSC617047; CHEMBL1973834; NSC-617047	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617047	.	.	.	.	377.3	C20H26BrP	0	301	.	22	0	1	3	"InChI=1S/C20H26P.BrH/c1-18-9-8-15-21(16-14-18,20-12-6-3-7-13-20)17-19-10-4-2-5-11-19;/h2-7,10-13,18H,8-9,14-17H2,1H3;1H/q+1;/p-1"	CC1CCC[P+](CC1)(CC2=CC=CC=C2)C3=CC=CC=C3.[Br-]	ULMNZSVJVFDBSO-UHFFFAOYSA-M
DG52754	"Cis-7,8-dioxaspirodecan-2-one"	357605	"MLS002701752; NSC617128; CHEMBL1979864; Cis-7,8-dioxaspirodecan-2-one; ZINC17176262; NSC-617128; NCI60_005109"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617128	.	.	.	.	320.4	C21H20O3	35.5	459	4	24	0	3	2	"InChI=1S/C21H20O3/c1-15-12-21(24-20(15)22)13-18(16-8-4-2-5-9-16)23-19(14-21)17-10-6-3-7-11-17/h2-11,18-19H,1,12-14H2/t18-,19+,21 "	C=C1CC2(C[C@@H](O[C@@H](C2)C3=CC=CC=C3)C4=CC=CC=C4)OC1=O	KYNODWLDEFWGRT-PMSBKCLSSA-N
DG52755	"7,9-Bis(2-chlorophenyl)-3-methylidene-1,8-dioxaspiro[4.5]decan-2-one"	357606	NSC617129; CHEMBL1965023; NSC-617129; NCI60_005110	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617129	.	.	.	.	389.3	C21H18Cl2O3	35.5	534	5.3	26	0	3	2	"InChI=1S/C21H18Cl2O3/c1-13-10-21(26-20(13)24)11-18(14-6-2-4-8-16(14)22)25-19(12-21)15-7-3-5-9-17(15)23/h2-9,18-19H,1,10-12H2"	C=C1CC2(CC(OC(C2)C3=CC=CC=C3Cl)C4=CC=CC=C4Cl)OC1=O	ZWQMKUQWBAAFDT-UHFFFAOYSA-N
DG52756	"7,9-Bis(2-methoxyphenyl)-3-methylidene-1,8-dioxaspiro[4.5]decan-2-one"	357607	NSC617130; CHEMBL1990366; NSC-617130; NCI60_005111	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617130	.	.	.	.	380.4	C23H24O5	54	556	4	28	0	5	4	"InChI=1S/C23H24O5/c1-15-12-23(28-22(15)24)13-20(16-8-4-6-10-18(16)25-2)27-21(14-23)17-9-5-7-11-19(17)26-3/h4-11,20-21H,1,12-14H2,2-3H3"	COC1=CC=CC=C1C2CC3(CC(O2)C4=CC=CC=C4OC)CC(=C)C(=O)O3	ONBOURZBYMXYJY-UHFFFAOYSA-N
DG52757	"3-Methylidene-7,9-bis(2-methylphenyl)-1,8-dioxaspiro[4.5]decan-2-one"	357608	NSC617131; CHEMBL1989345; NSC-617131; NCI60_005112	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617131	.	.	.	.	348.4	C23H24O3	35.5	524	4.8	26	0	3	2	"InChI=1S/C23H24O3/c1-15-8-4-6-10-18(15)20-13-23(12-17(3)22(24)26-23)14-21(25-20)19-11-7-5-9-16(19)2/h4-11,20-21H,3,12-14H2,1-2H3"	CC1=CC=CC=C1C2CC3(CC(O2)C4=CC=CC=C4C)CC(=C)C(=O)O3	BLHJWESERKQLRX-UHFFFAOYSA-N
DG52758	[3-Bromo-2-phenyl-3-(trifluoromethyl)cyclopropen-1-yl]benzene	357616	NSC617140; CHEMBL1984327; NSC-617140; NCI60_005119	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617140	.	.	.	.	339.15	C16H10BrF3	0	370	4.7	20	0	3	2	"InChI=1S/C16H10BrF3/c17-15(16(18,19)20)13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H"	C1=CC=C(C=C1)C2=C(C2(C(F)(F)F)Br)C3=CC=CC=C3	OKJCUIPEHFGLRC-UHFFFAOYSA-N
DG52759	"3,4-Dichloro-1-[3-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-2,2-dimethylpropyl]pyrrole-2,5-dione"	357621	"203115-63-3; NSC 617145; NSC-617145; 3,4-dichloro-1-[3-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-2,2-dimethylpropyl]pyrrole-2,5-dione; SID 487795; 1,1'-(2,2-Dimethylpropane-1,3-diyl)bis(3,4-dichloro-1H-pyrrole-2,5-dione); NSC617145; C13H10Cl4N2O4; NSC617145(WRN inhibitor); CHEMBL1968672; SCHEMBL23070212; AOB2715; SYN5147; EX-A5305; ZINC1613119; AKOS025147351; NCGC00402281-06; AS-16510; NCI60_005124; HY-110185; (2,3-propandiyl-bis(2,3-dichloro)maleimide; CS-0033049; A899512; 1,1'-(2,2-Dimethyl-1,3-propanediyl)bis[3,4-dichloro-1H-pyrrole-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617145	.	.	.	.	400	C13H10Cl4N2O4	74.8	605	3.3	23	0	4	4	"InChI=1S/C13H10Cl4N2O4/c1-13(2,3-18-9(20)5(14)6(15)10(18)21)4-19-11(22)7(16)8(17)12(19)23/h3-4H2,1-2H3"	CC(C)(CN1C(=O)C(=C(C1=O)Cl)Cl)CN2C(=O)C(=C(C2=O)Cl)Cl	PCOXPBOKDABARQ-UHFFFAOYSA-N
DG52760	6-Tert-butyl-3-(2-carboxyphenyl)-1-oxo-3-phenyl-2-benzofuran-4-carboxylic acid	357632	NSC617156; CHEMBL1988230; NSC-617156; NCI60_005134	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617156	.	.	.	.	430.4	C26H22O6	101	748	5.3	32	2	6	5	"InChI=1S/C26H22O6/c1-25(2,3)16-13-18(23(29)30)21-19(14-16)24(31)32-26(21,15-9-5-4-6-10-15)20-12-8-7-11-17(20)22(27)28/h4-14H,1-3H3,(H,27,28)(H,29,30)"	CC(C)(C)C1=CC2=C(C(=C1)C(=O)O)C(OC2=O)(C3=CC=CC=C3)C4=CC=CC=C4C(=O)O	CPVHTLBAPQBHQF-UHFFFAOYSA-N
DG52761	"5-Tert-butyl-2-[(2-carboxyphenyl)-phenylmethyl]benzene-1,3-dicarboxylic acid"	357633	NSC617157; CHEMBL1970382; NSC-617157; NCI60_005135	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617157	.	.	.	.	432.5	C26H24O6	112	665	5.5	32	3	6	7	"InChI=1S/C26H24O6/c1-26(2,3)16-13-19(24(29)30)22(20(14-16)25(31)32)21(15-9-5-4-6-10-15)17-11-7-8-12-18(17)23(27)28/h4-14,21H,1-3H3,(H,27,28)(H,29,30)(H,31,32)"	CC(C)(C)C1=CC(=C(C(=C1)C(=O)O)C(C2=CC=CC=C2)C3=CC=CC=C3C(=O)O)C(=O)O	JEWWOOJCHFASBC-UHFFFAOYSA-N
DG52762	"4H,mn]pyrene-4,12-dione, 2-(1,1-dimethylethyl)-8-hydroxy-"	357634	"NSC617158; CHEMBL1985399; NSC-617158; NCI60_005136; 4H,mn]pyrene-4,12-dione, 2-(1,1-dimethylethyl)-8-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617158	.	.	.	.	378.4	C26H18O3	54.4	735	6.4	29	1	3	1	"InChI=1S/C26H18O3/c1-26(2,3)12-10-17-21-18(11-12)25(29)16-9-5-7-14-20(16)22(21)19-13(23(14)27)6-4-8-15(19)24(17)28/h4-11,28H,1-3H3"	CC(C)(C)C1=CC2=C(C3=C4C(=CC=C3)C(=O)C5=C6C4=C2C(=C1)C(=O)C6=CC=C5)O	ZCVWERGYGMHVOS-UHFFFAOYSA-N
DG52763	4-Methoxy-2-nitrobenzaldehyde	357691	"4-methoxy-2-nitrobenzaldehyde; 22996-21-0; 4-Methoxy-2-nitro-benzaldehyde; 2-NITRO-4-METHOXYBENZALDEHYDE; BENZALDEHYDE, 4-METHOXY-2-NITRO-; MFCD00024254; NSC617208; 2-nitro-4-methoxy benzaldehyde; 4-Mehtyl-2-Nitro-Benzaldehyde; SCHEMBL1572278; CHEMBL1994608; DTXSID30326801; ACT03498; ZINC1613167; BBL101188; CL8363; STL554984; AKOS005257256; AB01428; CS-W004716; NSC-617208; PS-4656; QC-9906; AC-29344; NCI60_005160; SY018573; DB-006857; A4874; AM20030397; FT-0600638; W4676; EN300-71956; 996M210; A816471; W-206794"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617208	.	.	.	.	181.15	C8H7NO4	72.1	201	1.3	13	0	4	2	"InChI=1S/C8H7NO4/c1-13-7-3-2-6(5-10)8(4-7)9(11)12/h2-5H,1H3"	COC1=CC(=C(C=C1)C=O)[N+](=O)[O-]	KLTDQLIGNSBZPO-UHFFFAOYSA-N
DG52764	Benzyloxycarbonylglycine phenyl ester	357740	NSC617260; SCHEMBL7176512; CHEMBL2004293; benzyloxycarbonylglycine phenyl ester; NSC-617260; NCI60_005179	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617260	.	.	.	.	285.29	C16H15NO4	64.599	333	2.9	21	1	4	7	"InChI=1S/C16H15NO4/c18-15(21-14-9-5-2-6-10-14)11-17-16(19)20-12-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,17,19)"	C1=CC=C(C=C1)COC(=O)NCC(=O)OC2=CC=CC=C2	RLKHNNGEYFFESK-UHFFFAOYSA-N
DG52765	"(4R,5S)-4-methyl-3-(2-methylpropanoyl)-5-phenyl-1,3-oxazolidin-2-one"	357742	NSC617263; CHEMBL2001447; NSC-617263; NCI60_005181	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617263	.	.	.	.	247.29	C14H17NO3	46.6	334	2.7	18	0	3	2	"InChI=1S/C14H17NO3/c1-9(2)13(16)15-10(3)12(18-14(15)17)11-7-5-4-6-8-11/h4-10,12H,1-3H3/t10-,12-/m1/s1"	C[C@@H]1[C@@H](OC(=O)N1C(=O)C(C)C)C2=CC=CC=C2	FYOLDOBRYADSOQ-ZYHUDNBSSA-N
DG52766	"Hexanal, 4-methyl-6-(phenylmethoxy)-"	357756	"NSC617277; Hexanal, 4-methyl-6-(phenylmethoxy)-; CHEMBL1972998; DTXSID90326807; NSC-617277; 87359-89-5; NCI60_005189"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617277	.	.	.	.	220.31	C14H20O2	26.3	174	2.5	16	0	2	8	"InChI=1S/C14H20O2/c1-13(6-5-10-15)9-11-16-12-14-7-3-2-4-8-14/h2-4,7-8,10,13H,5-6,9,11-12H2,1H3"	CC(CCC=O)CCOCC1=CC=CC=C1	RKZYNDQFWFVEQV-UHFFFAOYSA-N
DG52767	N-(benzenesulfonyl)undec-10-enamide	357765	NSC617288; CHEMBL1992280; ZINC5600932; NSC-617288; NCI60_005200	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617288	.	.	.	.	323.5	C17H25NO3S	71.6	420	4.8	22	1	3	11	"InChI=1S/C17H25NO3S/c1-2-3-4-5-6-7-8-12-15-17(19)18-22(20,21)16-13-10-9-11-14-16/h2,9-11,13-14H,1,3-8,12,15H2,(H,18,19)"	C=CCCCCCCCCC(=O)NS(=O)(=O)C1=CC=CC=C1	SPURRCOTHMJSKZ-UHFFFAOYSA-N
DG52768	1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone	357791	NSC617318; NSC-617318; NCI60_005213	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617318	.	.	.	.	223.35	C14H25NO	20.3	247	3.9	16	0	2	7	"InChI=1S/C14H25NO/c1-4-5-6-8-12(2)11-15-10-7-9-14(15)13(3)16/h14H,2,4-11H2,1,3H3"	CCCCCC(=C)CN1CCCC1C(=O)C	XFZPNEAFCLCOJB-UHFFFAOYSA-N
DG52769	Dimethyl (7-methoxy-2-oxoheptyl)phosphonate	357802	NSC617330; dimethyl (7-methoxy-2-oxoheptyl)phosphonate; SCHEMBL7951205; CHEMBL1970625; ZINC1613275; NSC-617330; NCI60_005216	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617330	.	.	.	.	252.24	C10H21O5P	61.8	233	0.1	16	0	5	10	"InChI=1S/C10H21O5P/c1-13-8-6-4-5-7-10(11)9-16(12,14-2)15-3/h4-9H2,1-3H3"	COCCCCCC(=O)CP(=O)(OC)OC	RADNLYZNRNNWSG-UHFFFAOYSA-N
DG52770	[(E)-3-trimethylsilylpent-3-enyl] 4-methylbenzenesulfonate	357836	NSC617369; CHEMBL1970434; NSC-617369	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617369	.	.	.	.	312.5	C15H24O3SSi	51.8	421	.	20	0	3	6	"InChI=1S/C15H24O3SSi/c1-6-15(20(3,4)5)11-12-18-19(16,17)14-9-7-13(2)8-10-14/h6-10H,11-12H2,1-5H3/b15-6+"	C/C=C(\\CCOS(=O)(=O)C1=CC=C(C=C1)C)/[Si](C)(C)C	DOUKSUOGVNCVSI-GIDUJCDVSA-N
DG52771	"4-methylbenzenesulfonic acid;1-propyl-3,6-dihydro-2H-pyridine"	357839	NSC617372; CHEMBL2004886; NSC-617372; NCI60_005232	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617372	.	.	.	.	297.4	C15H23NO3S	66	303	.	20	1	4	3	"InChI=1S/C8H15N.C7H8O3S/c1-2-6-9-7-4-3-5-8-9;1-6-2-4-7(5-3-6)11(8,9)10/h3-4H,2,5-8H2,1H3;2-5H,1H3,(H,8,9,10)"	CCCN1CCC=CC1.CC1=CC=C(C=C1)S(=O)(=O)O	ZHSHFTFZSGVNFE-UHFFFAOYSA-N
DG52772	"1-Phenyl-1,2,3,6-tetrahydropyridine"	357849	"1-phenyl-1,2,3,6-tetrahydropyridine; NSC617381; 87682-63-1; SCHEMBL1889513; CHEMBL1992047; phenyl-1,2,3,6-tetrahydropyridine; 1-phenyl-1,2,5,6-tetrahydropyridine; AKOS025296097; NSC-617381; 1-phenyl-1,2,3,6-tetrahydro-pyridine; NCI60_005238"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617381	.	.	.	.	159.23	C11H13N	3.2	156	2.7	12	0	1	1	"InChI=1S/C11H13N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,7-8H,6,9-10H2"	C1CN(CC=C1)C2=CC=CC=C2	WDJKAQCAPHSOIO-UHFFFAOYSA-N
DG52773	"2-[4-(Chloromethyl)phenyl]-1,3-dioxolane"	357878	"2-[4-(chloromethyl)phenyl]-1,3-dioxolane; 26198-07-2; NSC617412; SCHEMBL7473813; CHEMBL1974618; DTXSID70326825; NSC-617412; 4-chloromethylbenzaldehyde ethylene acetal; NCI60_005252; A818317"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617412	.	.	.	.	198.64	C10H11ClO2	18.5	149	1.7	13	0	2	2	"InChI=1S/C10H11ClO2/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-4,10H,5-7H2"	C1COC(O1)C2=CC=C(C=C2)CCl	OSJJDHULSJSNFE-UHFFFAOYSA-N
DG52774	1-(3-Iodopropyl)cyclopentane-1-carbonitrile	357884	NSC617418; CHEMBL2004693; ZINC1613312; NSC-617418; NCI60_005256	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617418	.	.	.	.	263.12	C9H14IN	23.8	162	3.5	11	0	1	3	InChI=1S/C9H14IN/c10-7-3-6-9(8-11)4-1-2-5-9/h1-7H2	C1CCC(C1)(CCCI)C#N	LGYHMAXPHMSGPI-UHFFFAOYSA-N
DG52775	"[2-Acetoxy-3-(3,4-dihydroxyphenyl)-4,5-dihydroxy-6-(4-hydroxyphenyl)phenyl] acetate"	357890	"NSC617425; CHEMBL1972790; 3,4,4'',5',6'-Pentahydroxy-1,1':4',1''-terphenyl-2',3'-diyl diacetate; NSC-617425; NCI60_005263; 2',3'-diacetoxy-3,4,5',6',4''-pentahydroxy-p-terphenyl; [2-acetoxy-3-(3,4-dihydroxyphenyl)-4,5-dihydroxy-6-(4-hydroxyphenyl)phenyl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617425	.	.	.	.	426.4	C22H18O9	154	633	2.9	31	5	9	6	"InChI=1S/C22H18O9/c1-10(23)30-21-17(12-3-6-14(25)7-4-12)19(28)20(29)18(22(21)31-11(2)24)13-5-8-15(26)16(27)9-13/h3-9,25-29H,1-2H3"	CC(=O)OC1=C(C(=C(C(=C1C2=CC=C(C=C2)O)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C	ZJYMCBIUBPWIGC-UHFFFAOYSA-N
DG52776	"Niguldipine hydrochloride, (+/-)-"	357904	"niguldipine hydrochloride; (+/-)-NIGULDIPINE HYDROCHLORIDE; 119934-51-9; 113317-61-6; Niguldipine hydrochloride, (+/-)-; Niguldipine (hydrochloride); NSC-617553; 5-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride; 134886-09-2 (HCl); DSSTox_CID_26318; DSSTox_RID_81534; DSSTox_GSID_46318; 3-3-(4,4-Diphenyl-1-piperidyl)propyl 5-methyl 2,6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride; (+/-) -Niguldipine hydrochloride (1:x); CAS-102992-93-8; B-844-39; niguldipine HCl; Dexniquldipine HCl; DL-Niguldipine hydrochloride; SCHEMBL9001404; CHEMBL1965632; DTXSID20872307; Tox21_112014; NSC617553; Tox21_112014_1; CCG-207993; NCGC00025014-03; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(3-(4,4-diphenyl-1-piperidinyl)propyl) 5-methyl ester, hydrochloride (1:1); J-002947; Q27262742; 102992-93-8; 134886-09-2; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-[3-(4,4-diphenyl-1-piperidinyl)propyl] 5-methyl ester, xhydrochloride; 3-(3-(4,4-Diphenylpiperidin-1-yl)propyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride; 3-(4,4-Diphenylpiperidin-1-yl)propyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrogen chloride (1:1); 3-Methyl 5-[3-(4,4-diphenyl-1-piperidinyl)-propyl] (-)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate hydrochloride; 3-Methyl 5-[3-(4,4-diphenylpiperid-1-yl)-propyl] (+)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617553	.	.	.	.	646.2	C36H40ClN3O6	114	1100	.	46	2	8	11	"InChI=1S/C36H39N3O6.ClH/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29;/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3;1H"	CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl	MHOSUIMBPQVOEU-UHFFFAOYSA-N
DG52777	"8-Dimethylamino-2, hemizinc chloride"	357925	"NSC617591; 8-Dimethylamino-2, hemizinc chloride; NSC-617591"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617591	.	.	.	.	412.6	C18H16Cl2N2OZn	24.5	375	.	24	1	3	1	"InChI=1S/C18H16N2O.2ClH.Zn/c1-20(2)14-8-7-12-10-16-18(11-13(12)9-14)21-17-6-4-3-5-15(17)19-16;;;/h3-11,19H,1-2H3;2*1H;/q;;;+2/p-2"	CN(C)C1=CC2=CC3=C(C=C2C=C1)NC4=CC=CC=C4O3.Cl[Zn]Cl	VXXQQPYDQNDUDT-UHFFFAOYSA-L
DG52778	"2-methyl-4-[2,8,11-trihydroxy-11-[5-(1-hydroxypentadecyl)oxolan-2-yl]undecyl]-2H-furan-5-one"	357928	"NSC617594; 2-methyl-4-[2,8,11-trihydroxy-11-[5-(1-hydroxypentadecyl)oxolan-2-yl]undecyl]-2H-furan-5-one; 113817-64-4; 172586-14-0; CHEMBL2002469; NSC-617594; NCI60_005295; DB-085344; 1401812-26-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617594	.	.	.	.	596.9	C35H64O7	116	726	8.8	42	4	7	26	"InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-31(38)33-23-24-34(42-33)32(39)22-21-29(36)18-15-14-16-19-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3"	CCCCCCCCCCCCCCC(C1CCC(O1)C(CCC(CCCCCC(CC2=CC(OC2=O)C)O)O)O)O	NBVJDUCRUAUMAA-UHFFFAOYSA-N
DG52779	Isoxazolyl-prodrug of distamycin (stallimycin)	357929	NSC617595; ZINC5808321; NSC-617595; Isoxazolyl-prodrug of distamycin (stallimycin)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617595	.	.	.	.	597.6	C31H31N7O6	154	1060	2.4	44	3	7	10	"InChI=1S/C31H31N7O6/c1-6-43-31(42)25-14-22(17-38(25)5)33-29(40)23-12-20(15-36(23)3)32-28(39)24-13-21(16-37(24)4)34-30(41)26-18(2)44-35-27(26)19-10-8-7-9-11-19/h7-17H,6H2,1-5H3,(H,32,39)(H,33,40)(H,34,41)"	CCOC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC(=O)C4=C(ON=C4C5=CC=CC=C5)C	UQYDHAMNOJTJSL-UHFFFAOYSA-N
DG52780	Benzyl 6-formyl-2-cyclohexen-1-ylcarbamate	357934	NSC617602; Benzyl 6-formyl-2-cyclohexen-1-ylcarbamate; benzyl N-(6-formylcyclohex-2-en-1-yl)carbamate; CHEMBL2006452; NSC-617602; NCI60_005301	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617602	.	.	.	.	259.3	C15H17NO3	55.4	334	2.5	19	1	3	5	"InChI=1S/C15H17NO3/c17-10-13-8-4-5-9-14(13)16-15(18)19-11-12-6-2-1-3-7-12/h1-3,5-7,9-10,13-14H,4,8,11H2,(H,16,18)"	C1CC(C(C=C1)NC(=O)OCC2=CC=CC=C2)C=O	UTIDXYKFNVAIAU-UHFFFAOYSA-N
DG52781	2-((Phenylthio)methylene)malononitrile	357940	NSC617609; 2-((Phenylthio)methylene)malononitrile; CHEMBL1992302; SCHEMBL11109881; NSC-617609; NCI60_005304; 2-(phenylsulfanylmethylene)propanedinitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617609	.	.	.	.	186.24	C10H6N2S	72.9	265	2.2	13	0	3	2	"InChI=1S/C10H6N2S/c11-6-9(7-12)8-13-10-4-2-1-3-5-10/h1-5,8H"	C1=CC=C(C=C1)SC=C(C#N)C#N	PXGKLGPQMNOUFU-UHFFFAOYSA-N
DG52782	"6-(Dimethoxymethyl)-1,3-benzodioxole-5-carbaldehyde"	357964	"NSC617639; 6-(Dimethoxymethyl)-1,3-benzodioxole-5-carbaldehyde; 4-(dimethoxy)methyl-5-formyl(1,2-methylenedioxy)benzene; CHEMBL1997002; NSC-617639; 87850-43-9; NCI60_005320"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617639	.	.	.	.	224.21	C11H12O5	54	241	0.8	16	0	5	4	"InChI=1S/C11H12O5/c1-13-11(14-2)8-4-10-9(15-6-16-10)3-7(8)5-12/h3-5,11H,6H2,1-2H3"	COC(C1=CC2=C(C=C1C=O)OCO2)OC	RWYRPEMGCYSEEM-UHFFFAOYSA-N
DG52783	DL-N(Me2)Val-DL-Val-DL-N(Me)Val-DL-Pro-DL-Pro-DL-OVal-Unk	357989	DLS 15; NSC617668; Neuro_000242; SCHEMBL4357916; CHEMBL2005030; NSC-617668; NCI60_005326; B720389K237	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617668	.	.	.	.	837.1	C45H68N6O9	166	1600	5.7	60	1	10	18	"InChI=1S/C45H68N6O9/c1-26(2)36(46-40(53)37(27(3)4)47(9)10)42(55)48(11)38(28(5)6)43(56)49-22-16-20-31(49)41(54)50-23-17-21-32(50)45(58)60-39(29(7)8)44(57)51-33(34(59-12)25-35(51)52)24-30-18-14-13-15-19-30/h13-15,18-19,25-29,31-33,36-39H,16-17,20-24H2,1-12H3,(H,46,53)"	CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)OC(C(C)C)C(=O)N3C(C(=CC3=O)OC)CC4=CC=CC=C4)NC(=O)C(C(C)C)N(C)C	LQKSHSFQQRCAFW-UHFFFAOYSA-N
DG52784	"4-Benzylidene-1,7-dimorpholin-4-ylheptane-3,5-dione;hydrochloride"	358056	NSC617824; CHEMBL1984678; NSC-617824	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617824	.	.	.	.	422.9	C22H31ClN2O4	59.1	495	.	29	1	6	9	"InChI=1S/C22H30N2O4.ClH/c25-21(6-8-23-10-14-27-15-11-23)20(18-19-4-2-1-3-5-19)22(26)7-9-24-12-16-28-17-13-24;/h1-5,18H,6-17H2;1H"	C1COCCN1CCC(=O)C(=CC2=CC=CC=C2)C(=O)CCN3CCOCC3.Cl	DLNZZKWLLIWJIP-UHFFFAOYSA-N
DG52785	"4,13-Dimethyl-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene;bromide"	358067	NSC617846; NSC-617846	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617846	.	.	.	.	292.19	C14H16BrN2+	7.8	227	.	17	0	1	0	"InChI=1S/C14H16N2.BrH/c1-11-3-5-15-7-8-16-6-4-12(2)10-14(16)13(15)9-11;/h3-6,9-10H,7-8H2,1-2H3;1H/q+2;/p-1"	CC1=CC2=[N+](CC[N+]3=C2C=C(C=C3)C)C=C1.[Br-]	AJXYQVGHSRJLNL-UHFFFAOYSA-M
DG52786	N-[2-(dimethylamino)ethyl]-2-(4-hydroxyphenyl)quinoline-8-carboxamide;hydrobromide	358074	NSC617930; CHEMBL1971011; NSC-617930	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617930	.	.	.	.	416.3	C20H22BrN3O2	65.5	435	.	26	3	4	5	"InChI=1S/C20H21N3O2.BrH/c1-23(2)13-12-21-20(25)17-5-3-4-15-8-11-18(22-19(15)17)14-6-9-16(24)10-7-14;/h3-11,24H,12-13H2,1-2H3,(H,21,25);1H"	CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C=C2)C3=CC=C(C=C3)O.Br	VMASGJLZHOYMOK-UHFFFAOYSA-N
DG52787	N-[2-(dimethylamino)ethyl]-2-pyridin-4-ylquinoline-8-carboxamide;hydrochloride	358076	NSC617931; CHEMBL2000302; NSC-617931	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617931	.	.	.	.	356.8	C19H21ClN4O	58.1	408	.	25	2	4	5	"InChI=1S/C19H20N4O.ClH/c1-23(2)13-12-21-19(24)16-5-3-4-15-6-7-17(22-18(15)16)14-8-10-20-11-9-14;/h3-11H,12-13H2,1-2H3,(H,21,24);1H"	CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C=C2)C3=CC=NC=C3.Cl	ZNQNMJMJYGLWGS-UHFFFAOYSA-N
DG52788	2-(4-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-8-carboxamide;hydrochloride	358078	NSC617932; CHEMBL1968304; NSC-617932	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617932	.	.	.	.	434.8	C20H21BrClN3O	45.2	437	.	26	2	3	5	"InChI=1S/C20H20BrN3O.ClH/c1-24(2)13-12-22-20(25)17-5-3-4-15-8-11-18(23-19(15)17)14-6-9-16(21)10-7-14;/h3-11H,12-13H2,1-2H3,(H,22,25);1H"	CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C=C2)C3=CC=C(C=C3)Br.Cl	IDNLGYMDPPWBPS-UHFFFAOYSA-N
DG52789	6-chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-8-carboxamide;hydrochloride	358086	NSC617936; CHEMBL1986209; NSC-617936	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617936	.	.	.	.	390.3	C20H21Cl2N3O	45.2	439	.	26	2	3	5	"InChI=1S/C20H20ClN3O.ClH/c1-24(2)11-10-22-20(25)17-13-16(21)12-15-8-9-18(23-19(15)17)14-6-4-3-5-7-14;/h3-9,12-13H,10-11H2,1-2H3,(H,22,25);1H"	CN(C)CCNC(=O)C1=C2C(=CC(=C1)Cl)C=CC(=N2)C3=CC=CC=C3.Cl	MYWVAVIOTXBDNC-UHFFFAOYSA-N
DG52790	N-(2-(Dimethylamino)ethyl)-3-phenyl-quinoxaline-5-carboxamide hydrochloride	358088	"NSC617937; CHEMBL1978501; NIOSH/VD1581000; N-(2-(Dimethylamino)ethyl)-3-phenyl-quinoxaline-5-carboxamide hydrochloride; NSC-617937; VD15810000; Quinoxaline-5-carboxamide, N-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617937	.	.	.	.	356.8	C19H21ClN4O	58.1	408	.	25	2	4	5	"InChI=1S/C19H20N4O.ClH/c1-23(2)12-11-20-19(24)15-9-6-10-16-18(15)22-17(13-21-16)14-7-4-3-5-8-14;/h3-10,13H,11-12H2,1-2H3,(H,20,24);1H"	CN(C)CCNC(=O)C1=C2C(=CC=C1)N=CC(=N2)C3=CC=CC=C3.Cl	PDYUAERORXUVHK-UHFFFAOYSA-N
DG52791	N-[2-(dimethylamino)ethyl]-6-phenylphenanthridine-4-carboxamide;hydrochloride	358111	NSC617950; CHEMBL1979852; NSC-617950	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617950	.	.	.	.	405.9	C24H24ClN3O	45.2	516	.	29	2	3	5	"InChI=1S/C24H23N3O.ClH/c1-27(2)16-15-25-24(28)21-14-8-13-20-18-11-6-7-12-19(18)22(26-23(20)21)17-9-4-3-5-10-17;/h3-14H,15-16H2,1-2H3,(H,25,28);1H"	CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C3=CC=CC=C23)C4=CC=CC=C4.Cl	QGQHFZLKJLXZQL-UHFFFAOYSA-N
DG52792	N-[2-(dimethylamino)ethyl]-6-pyridin-3-ylphenanthridine-4-carboxamide;hydrochloride	358113	NSC617951; CHEMBL1977810; NSC-617951	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617951	.	.	.	.	406.9	C23H23ClN4O	58.1	525	.	29	2	4	5	"InChI=1S/C23H22N4O.ClH/c1-27(2)14-13-25-23(28)20-11-5-10-19-17-8-3-4-9-18(17)21(26-22(19)20)16-7-6-12-24-15-16;/h3-12,15H,13-14H2,1-2H3,(H,25,28);1H"	CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C3=CC=CC=C23)C4=CN=CC=C4.Cl	BKZNDUCKIMPJRW-UHFFFAOYSA-N
DG52793	N-[2-(dimethylamino)ethyl]-6-(4-fluorophenyl)phenanthridine-4-carboxamide;hydrochloride	358115	NSC617952; CHEMBL2003498; NSC-617952	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617952	.	.	.	.	423.9	C24H23ClFN3O	45.2	548	.	30	2	4	5	"InChI=1S/C24H22FN3O.ClH/c1-28(2)15-14-26-24(29)21-9-5-8-20-18-6-3-4-7-19(18)22(27-23(20)21)16-10-12-17(25)13-11-16;/h3-13H,14-15H2,1-2H3,(H,26,29);1H"	CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C3=CC=CC=C23)C4=CC=C(C=C4)F.Cl	YOBSELMNADAINB-UHFFFAOYSA-N
DG52794	N-[2-(dimethylamino)ethyl]-6-pyridin-4-ylphenanthridine-4-carboxamide;hydrochloride	358117	NSC617953; CHEMBL1982262; NSC-617953	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617953	.	.	.	.	406.9	C23H23ClN4O	58.1	519	.	29	2	4	5	"InChI=1S/C23H22N4O.ClH/c1-27(2)15-14-25-23(28)20-9-5-8-19-17-6-3-4-7-18(17)21(26-22(19)20)16-10-12-24-13-11-16;/h3-13H,14-15H2,1-2H3,(H,25,28);1H"	CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C3=CC=CC=C23)C4=CC=NC=C4.Cl	SQJCTTHZCSPERD-UHFFFAOYSA-N
DG52795	N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;hydrochloride	358122	NSC617958; NSC-617958	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617958	.	.	.	.	343.8	C19H22ClN3O	45.2	411	.	24	2	3	4	"InChI=1S/C19H21N3O.ClH/c1-13-6-4-7-14-12-15-8-5-9-16(18(15)21-17(13)14)19(23)20-10-11-22(2)3;/h4-9,12H,10-11H2,1-3H3,(H,20,23);1H"	CC1=C2C(=CC=C1)C=C3C=CC=C(C3=N2)C(=O)NCCN(C)C.Cl	QBGXRFUZJBIDMA-UHFFFAOYSA-N
DG52796	N-[2-(dimethylamino)ethyl]-7-methoxyacridine-4-carboxamide;hydrochloride	358123	NSC617959; CHEMBL2003031; NSC-617959	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617959	.	.	.	.	359.8	C19H22ClN3O2	54.5	429	.	25	2	4	5	"InChI=1S/C19H21N3O2.ClH/c1-22(2)10-9-20-19(23)16-6-4-5-13-11-14-12-15(24-3)7-8-17(14)21-18(13)16;/h4-8,11-12H,9-10H2,1-3H3,(H,20,23);1H"	CN(C)CCNC(=O)C1=CC=CC2=CC3=C(C=CC(=C3)OC)N=C21.Cl	MCSSTBANMDWUNB-UHFFFAOYSA-N
DG52797	N-[2-(dimethylamino)ethyl]-7-hydroxyacridine-4-carboxamide;hydrochloride	358124	NSC617960; CHEMBL1999732; NSC-617960	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617960	.	.	.	.	345.8	C18H20ClN3O2	65.5	415	.	24	3	4	4	"InChI=1S/C18H19N3O2.ClH/c1-21(2)9-8-19-18(23)15-5-3-4-12-10-13-11-14(22)6-7-16(13)20-17(12)15;/h3-7,10-11,22H,8-9H2,1-2H3,(H,19,23);1H"	CN(C)CCNC(=O)C1=CC=CC2=CC3=C(C=CC(=C3)O)N=C21.Cl	QKMJKHXMFKDKTD-UHFFFAOYSA-N
DG52798	N-[2-(dimethylamino)ethyl]-2-methylacridine-4-carboxamide;hydrochloride	358126	NSC617961; CHEMBL1995923; NSC-617961	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617961	.	.	.	.	343.8	C19H22ClN3O	45.2	411	.	24	2	3	4	"InChI=1S/C19H21N3O.ClH/c1-13-10-15-12-14-6-4-5-7-17(14)21-18(15)16(11-13)19(23)20-8-9-22(2)3;/h4-7,10-12H,8-9H2,1-3H3,(H,20,23);1H"	CC1=CC2=CC3=CC=CC=C3N=C2C(=C1)C(=O)NCCN(C)C.Cl	XPSPKYHIAJNWGG-UHFFFAOYSA-N
DG52799	N-[2-(dimethylamino)ethyl]-7-methylacridine-4-carboxamide;hydrochloride	358128	NSC617963; CHEMBL1975028; NSC-617963	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617963	.	.	.	.	343.8	C19H22ClN3O	45.2	411	.	24	2	3	4	"InChI=1S/C19H21N3O.ClH/c1-13-7-8-17-15(11-13)12-14-5-4-6-16(18(14)21-17)19(23)20-9-10-22(2)3;/h4-8,11-12H,9-10H2,1-3H3,(H,20,23);1H"	CC1=CC2=C(C=C1)N=C3C(=C2)C=CC=C3C(=O)NCCN(C)C.Cl	VAXDJRGINUIRSX-UHFFFAOYSA-N
DG52800	N-[2-(dimethylamino)ethyl]-8-methylacridine-4-carboxamide;hydrochloride	358130	NSC617964; CHEMBL1967065; NSC-617964	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617964	.	.	.	.	343.8	C19H22ClN3O	45.2	411	.	24	2	3	4	"InChI=1S/C19H21N3O.ClH/c1-13-6-4-9-17-16(13)12-14-7-5-8-15(18(14)21-17)19(23)20-10-11-22(2)3;/h4-9,12H,10-11H2,1-3H3,(H,20,23);1H"	CC1=C2C=C3C=CC=C(C3=NC2=CC=C1)C(=O)NCCN(C)C.Cl	TWIMSDTXKAKKKR-UHFFFAOYSA-N
DG52801	N-[2-(dimethylamino)ethyl]benzo[c]acridine-11-carboxamide;hydrochloride	358132	NSC617965; CHEMBL1997675; NSC-617965	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617965	.	.	.	.	379.9	C22H22ClN3O	45.2	494	.	27	2	3	4	"InChI=1S/C22H21N3O.ClH/c1-25(2)13-12-23-22(26)19-9-5-7-16-14-17-11-10-15-6-3-4-8-18(15)20(17)24-21(16)19;/h3-11,14H,12-13H2,1-2H3,(H,23,26);1H"	CN(C)CCNC(=O)C1=CC=CC2=CC3=C(C4=CC=CC=C4C=C3)N=C21.Cl	KEZIABMGAHTUOI-UHFFFAOYSA-N
DG52802	2-chloro-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide;hydrochloride	358134	NSC617966; CHEMBL1968685; NSC-617966	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617966	.	.	.	.	364.3	C18H19Cl2N3O	45.2	417	.	24	2	3	4	"InChI=1S/C18H18ClN3O.ClH/c1-22(2)8-7-20-18(23)15-11-14(19)10-13-9-12-5-3-4-6-16(12)21-17(13)15;/h3-6,9-11H,7-8H2,1-2H3,(H,20,23);1H"	CN(C)CCNC(=O)C1=CC(=CC2=CC3=CC=CC=C3N=C21)Cl.Cl	IAUQCASCHRFJCQ-UHFFFAOYSA-N
DG52803	N-[2-(dimethylamino)ethyl]-1-methylacridine-4-carboxamide;hydrochloride	358135	NSC617967; CHEMBL1977104; NSC-617967	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617967	.	.	.	.	343.8	C19H22ClN3O	45.2	411	.	24	2	3	4	"InChI=1S/C19H21N3O.ClH/c1-13-8-9-15(19(23)20-10-11-22(2)3)18-16(13)12-14-6-4-5-7-17(14)21-18;/h4-9,12H,10-11H2,1-3H3,(H,20,23);1H"	CC1=CC=C(C2=NC3=CC=CC=C3C=C12)C(=O)NCCN(C)C.Cl	ZFKVQXADBOJMPY-UHFFFAOYSA-N
DG52804	"1, N,N'-bis[2-(dimethylamino) ethyl]-, trihydrochloride"	358138	"NSC617969; CHEMBL1983977; NSC-617969; 1, N,N'-bis[2-(dimethylamino) ethyl]-, trihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617969	.	.	.	.	444	C23H30ClN5O2	77.6	582	.	31	3	5	8	"InChI=1S/C23H29N5O2.ClH/c1-27(2)13-11-24-22(29)17-9-10-18(23(30)25-12-14-28(3)4)21-19(17)15-16-7-5-6-8-20(16)26-21;/h5-10,15H,11-14H2,1-4H3,(H,24,29)(H,25,30);1H"	CN(C)CCNC(=O)C1=CC=C(C2=NC3=CC=CC=C3C=C12)C(=O)NCCN(C)C.Cl	XSYIOQNKAJELJR-UHFFFAOYSA-N
DG52805	N-(2-aminoethyl)acridine-4-carboxamide;hydrochloride	358141	NSC617971; CHEMBL1988132; NSC-617971	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617971	.	.	.	.	301.77	C16H16ClN3O	68	347	.	21	3	3	3	"InChI=1S/C16H15N3O.ClH/c17-8-9-18-16(20)13-6-3-5-12-10-11-4-1-2-7-14(11)19-15(12)13;/h1-7,10H,8-9,17H2,(H,18,20);1H"	C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NCCN.Cl	UHKZPVDBOHAPNJ-UHFFFAOYSA-N
DG52806	"Benzo(a)phenazine-8-carboxamide, monohydrochloride"	358150	"MLS002701757; NSC617976; CHEMBL1731759; NSC-617976; SMR001565352; Benzo(a)phenazine-8-carboxamide, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617976	.	.	.	.	380.9	C21H21ClN4O	58.1	496	.	27	2	4	4	"InChI=1S/C21H20N4O.ClH/c1-25(2)13-12-22-21(26)16-8-5-9-17-20(16)24-18-11-10-14-6-3-4-7-15(14)19(18)23-17;/h3-11H,12-13H2,1-2H3,(H,22,26);1H"	CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C(=N2)C=CC4=CC=CC=C43.Cl	MVTQGXKGLAHXIT-UHFFFAOYSA-N
DG52807	N-[2-(dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide;hydrochloride	358152	NSC617977; CHEMBL1994992; NSC-617977	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617977	.	.	.	.	380.9	C21H21ClN4O	58.1	496	.	27	2	4	4	"InChI=1S/C21H20N4O.ClH/c1-25(2)13-12-22-21(26)16-8-5-9-17-20(16)24-19-15-7-4-3-6-14(15)10-11-18(19)23-17;/h3-11H,12-13H2,1-2H3,(H,22,26);1H"	CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C=CC4=CC=CC=C4C3=N2.Cl	HMSOVUNJPQGGQI-UHFFFAOYSA-N
DG52808	7-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide;hydrochloride	358156	NSC617979; CHEMBL1996495; NSC-617979	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617979	.	.	.	.	365.3	C17H18Cl2N4O	58.1	419	.	24	2	4	4	"InChI=1S/C17H17ClN4O.ClH/c1-22(2)9-8-19-17(23)12-4-3-5-14-16(12)21-13-7-6-11(18)10-15(13)20-14;/h3-7,10H,8-9H2,1-2H3,(H,19,23);1H"	CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C=C(C=CC3=N2)Cl.Cl	PTBHXCSBYFHADS-UHFFFAOYSA-N
DG52809	N-[3-(dimethylamino)propyl]phenazine-1-carboxamide;hydrochloride	358168	NSC617985; CHEMBL2003917; NSC-617985	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617985	.	.	.	.	344.8	C18H21ClN4O	58.1	401	.	24	2	4	5	"InChI=1S/C18H20N4O.ClH/c1-22(2)12-6-11-19-18(23)13-7-5-10-16-17(13)21-15-9-4-3-8-14(15)20-16;/h3-5,7-10H,6,11-12H2,1-2H3,(H,19,23);1H"	CN(C)CCCNC(=O)C1=CC=CC2=NC3=CC=CC=C3N=C21.Cl	FZSGELCSYYTNBS-UHFFFAOYSA-N
DG52810	"N-[2-(dimethylamino)ethyl]pyrido[2,3-a]phenazine-11-carboxamide;hydrochloride"	358172	NSC617987; CHEMBL1985770; NSC-617987	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617987	.	.	.	.	381.9	C20H20ClN5O	71	499	.	27	2	5	4	"InChI=1S/C20H19N5O.ClH/c1-25(2)12-11-22-20(26)14-6-3-7-15-18(14)24-19-16(23-15)9-8-13-5-4-10-21-17(13)19;/h3-10H,11-12H2,1-2H3,(H,22,26);1H"	CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C=CC4=C(C3=N2)N=CC=C4.Cl	KKTTZNUBMMPJME-UHFFFAOYSA-N
DG52811	"Dibenzo[a, N-[2-(dimethylamino)ethyl]-, monohydrochloride"	358174	"NSC617988; CHEMBL1982790; NSC-617988; Dibenzo[a, N-[2- (dimethylamino)ethyl]-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617988	.	.	.	.	430.9	C25H23ClN4O	58.1	610	.	31	2	4	4	"InChI=1S/C25H22N4O.ClH/c1-29(2)15-14-26-25(30)20-12-7-13-21-22(20)28-24-19-11-6-4-9-17(19)16-8-3-5-10-18(16)23(24)27-21;/h3-13H,14-15H2,1-2H3,(H,26,30);1H"	CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C4=CC=CC=C4C5=CC=CC=C5C3=N2.Cl	OQFQAZZTYBKFKO-UHFFFAOYSA-N
DG52812	3-Deazaneplanocin hydrochloride	358176	"3-Deazaneplanocin hydrochloride; NSC617989; DZNep hydrochloride;NSC 617989 hydrochloride;3-Deazaneplanocin hydrochloride; 3-Deazaneplanocin, hydrochloride; CHEMBL1969728; SCHEMBL20595432; BCP21084; AKOS037647895; NSC-617989; AS-75186; (-)-1-[(1R,4R,5S)-3-(Hydroxymethyl)-4,5-dihydroxy-2-cyclopenten-1-yl]4-aminoimidazo[4,5-c]pyridine hydrochloride, DZNep hydrochloride; 3-Deazaneplanocin A HCl;DZNep hydrochloride; NSC 617989 hydrochloride; 3-Deazaneplanocin hydrochloride; 5-{4-amino-1H-imidazo[4,5-c]pyridin-1-yl}-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617989	.	.	.	.	298.72	C12H15ClN4O3	117	378	.	20	5	6	2	"InChI=1S/C12H14N4O3.ClH/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19;/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14);1H"	C1=CN=C(C2=C1N(C=N2)C3C=C(C(C3O)O)CO)N.Cl	UNSKMHKAFPRFTI-UHFFFAOYSA-N
DG52813	"7-chloro-1-(chloromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine"	358192	NSC618069; CHEMBL1970120; ZINC1613496; NSC-618069; NCI60_005420	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618069	.	.	.	.	272.15	C10H7Cl2N3S	56	268	2.3	16	0	3	1	"InChI=1S/C10H7Cl2N3S/c11-4-9-13-14-10-5-16-8-3-6(12)1-2-7(8)15(9)10/h1-3H,4-5H2"	C1C2=NN=C(N2C3=C(S1)C=C(C=C3)Cl)CCl	ZCEHQPCOWBPKIC-UHFFFAOYSA-N
DG52814	"2-chloro-N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide"	358193	NSC618070; CHEMBL1984566; ZINC1613497; NSC-618070; NCI60_005422	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618070	.	.	.	.	290.17	C10H9Cl2N3OS	78.8	327	2.2	17	2	3	3	"InChI=1S/C10H9Cl2N3OS/c11-4-10(16)15-14-9-5-17-8-3-6(12)1-2-7(8)13-9/h1-3H,4-5H2,(H,13,14)(H,15,16)"	C1C(=NC2=C(S1)C=C(C=C2)Cl)NNC(=O)CCl	WUZDANVJQDAKKX-UHFFFAOYSA-N
DG52815	"[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-6-methyl-5-oxo-2H-pyran-4-yl] acetate"	358202	NSC618093; CHEMBL1969443; NSC-618093; NCI60_005430	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618093	.	.	.	.	298.22	C12H11FN2O6	102	597	-0.2	21	1	7	3	"InChI=1S/C12H11FN2O6/c1-5-10(17)8(21-6(2)16)3-9(20-5)15-4-7(13)11(18)14-12(15)19/h3-5,9H,1-2H3,(H,14,18,19)"	CC1C(=O)C(=CC(O1)N2C=C(C(=O)NC2=O)F)OC(=O)C	BJYUGMOTHROEOV-UHFFFAOYSA-N
DG52816	"(1R,4R)-1,4-bis(4-methoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione"	358209	NSC618100; CHEMBL1969362; NSC-618100; NCI60_005438	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618100	.	.	.	.	354.4	C20H18O6	71.1	484	2.5	26	0	6	4	"InChI=1S/C20H18O6/c1-23-13-7-3-11(4-8-13)17-15-16(20(22)25-17)18(26-19(15)21)12-5-9-14(24-2)10-6-12/h3-10,15-18H,1-2H3/t15 ,16 ,17-,18-/m0/s1"	COC1=CC=C(C=C1)[C@H]2C3C([C@@H](OC3=O)C4=CC=C(C=C4)OC)C(=O)O2	PZMJZHHHLJVULL-FOIPXRHGSA-N
DG52817	Copper;bis[(1-methylimidazol-2-yl)methyl]azanide;dinitrate	358228	NSC618145; NSC-618145; NCI60_005457	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618145	.	.	.	.	391.81	C10H14CuN7O6-	162	324	.	24	0	9	0	"InChI=1S/C10H14N5.Cu.2NO3/c1-14-5-3-12-9(14)7-11-8-10-13-4-6-15(10)2;;2*2-1(3)4/h3-6H,7-8H2,1-2H3;;;/q-1;+2;2*-1"	CN1C=CN=C1C[N-]CC2=NC=CN2C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Cu+2]	KRAWUOODCSIUDA-UHFFFAOYSA-N
DG52818	"9-Hydroxy-1,4-anthraquinone"	358258	"CHEMBL221001; NSC-618201; 9-Hydroxy-1,4-anthraquinone; 74553-57-4; NSC618201; SCHEMBL14567096; DTXSID80326836; ZINC1613555; BDBM50195856; NCI60_005459"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618201	.	.	.	.	224.21	C14H8O3	54.4	385	2.9	17	1	3	0	"InChI=1S/C14H8O3/c15-11-5-6-12(16)13-10(11)7-8-3-1-2-4-9(8)14(13)17/h1-7,17H"	C1=CC=C2C(=C1)C=C3C(=O)C=CC(=O)C3=C2O	WRNLLFFUMFNHNF-UHFFFAOYSA-N
DG52819	"2-(2,5-Dihydroxybenzoyl)-3-methoxybenzaldehyde"	358264	NSC618207; CHEMBL1995731; NSC-618207; NCI60_005464	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618207	.	.	.	.	272.25	C15H12O5	83.8	356	2.5	20	2	5	4	"InChI=1S/C15H12O5/c1-20-13-4-2-3-9(8-16)14(13)15(19)11-7-10(17)5-6-12(11)18/h2-8,17-18H,1H3"	COC1=CC=CC(=C1C(=O)C2=C(C=CC(=C2)O)O)C=O	CDSSEUULHBJPJA-UHFFFAOYSA-N
DG52820	1-[(4-Methylphenyl)sulfonyl]-2-piperidineethanol	358286	NSC618228; CHEMBL1996726; AKOS005785252; NSC-618228; NCI60_005484; 1-[(4-Methylphenyl)sulfonyl]-2-piperidineethanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618228	.	.	.	.	283.39	C14H21NO3S	66	369	2	19	1	4	4	"InChI=1S/C14H21NO3S/c1-12-5-7-14(8-6-12)19(17,18)15-10-3-2-4-13(15)9-11-16/h5-8,13,16H,2-4,9-11H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCO	PSFIACOPJOGEJX-UHFFFAOYSA-N
DG52821	"(4aR)-spiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-2-carbonitrile"	358288	CHEMBL1991438; NSC618230; NSC-618230; NCI60_005486	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618230	.	.	.	.	222.28	C12H18N2O2	45.5	316	1.5	16	0	4	0	"InChI=1S/C12H18N2O2/c13-9-14-4-2-10-7-12(15-5-6-16-12)3-1-11(10)8-14/h10-11H,1-8H2/t10-,11 /m1/s1"	C1CN(CC2[C@H]1CC3(CC2)OCCO3)C#N	VRGCPBRJHREASN-NFJWQWPMSA-N
DG52822	"8-Benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile"	358289	NSC618231; CHEMBL1992989; NSC-618231; NCI60_005487	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618231	.	.	.	.	272.3	C15H16N2O3	62.6	416	1.2	20	0	4	1	"InChI=1S/C15H16N2O3/c16-11-13-10-15(19-8-9-20-15)6-7-17(13)14(18)12-4-2-1-3-5-12/h1-5,13H,6-10H2"	C1CN(C(CC12OCCO2)C#N)C(=O)C3=CC=CC=C3	YWXBZXLIVQMACV-UHFFFAOYSA-N
DG52823	"2-benzoyl-3,4,4a,5,7,8,9,9a-octahydro-1H-pyrido[3,4-d]azepin-6-one"	358292	NSC618234; CHEMBL1980256; NSC-618234; NCGC00375377-01; NCI60_005489	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618234	.	.	.	.	272.34	C16H20N2O2	49.4	377	1.4	20	1	2	1	"InChI=1S/C16H20N2O2/c19-15-10-13-7-9-18(11-14(13)6-8-17-15)16(20)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,17,19)"	C1CNC(=O)CC2C1CN(CC2)C(=O)C3=CC=CC=C3	ZYZZLNZTPISGMA-UHFFFAOYSA-N
DG52824	"(4aR)-2-benzoylspiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-3-carbonitrile"	358293	NSC618235; CHEMBL1966297; NSC-618235; NCI60_005490	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618235	.	.	.	.	326.4	C19H22N2O3	62.6	528	2.2	24	0	4	1	"InChI=1S/C19H22N2O3/c20-12-17-10-16-11-19(23-8-9-24-19)7-6-15(16)13-21(17)18(22)14-4-2-1-3-5-14/h1-5,15-17H,6-11,13H2/t15 ,16-,17 /m1/s1"	C1CC2(C[C@@H]3C1CN(C(C3)C#N)C(=O)C4=CC=CC=C4)OCCO2	XIPRMSHMVONOPL-AQFXKWCLSA-N
DG52825	Ethyl 2-(1-benzoylpiperidin-4-ylidene)acetate	358294	21363-69-9; NSC618236; ethyl 1-benzoyl-(piperidin-4-ylidene)acetate; ethyl 2-(1-benzoylpiperidin-4-ylidene)acetate; CHEMBL1982358; SCHEMBL10258319; MFCD04108894; NSC-618236; NCI60_005491; N-benzoyl-4-(carbethoxymethylene) piperidine; D84562; 1-Benzoylpiperidine-4-ylideneacetic acid ethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618236	.	.	.	.	273.33	C16H19NO3	46.6	373	2	20	0	3	4	"InChI=1S/C16H19NO3/c1-2-20-15(18)12-13-8-10-17(11-9-13)16(19)14-6-4-3-5-7-14/h3-7,12H,2,8-11H2,1H3"	CCOC(=O)C=C1CCN(CC1)C(=O)C2=CC=CC=C2	BIBSDXWBPGZTKL-UHFFFAOYSA-N
DG52826	1-Benzoyl-2-benzylpiperidine-2-carbonitrile	358295	NSC618237; CHEMBL2001524; NSC-618237; NCI60_005492	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618237	.	.	.	.	304.4	C20H20N2O	44.1	454	3.8	23	0	2	3	"InChI=1S/C20H20N2O/c21-16-20(15-17-9-3-1-4-10-17)13-7-8-14-22(20)19(23)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-15H2"	C1CCN(C(C1)(CC2=CC=CC=C2)C#N)C(=O)C3=CC=CC=C3	VUAUQBHKEVSSFT-UHFFFAOYSA-N
DG52827	Dimethyl 2-(3-oxocyclohexyl)propanedioate	358296	"33646-18-3; CMLDBU00002581; dimethyl (3-oxocyclohexyl)malonate; dimethyl 2-(3-oxocyclohexyl)propanedioate; 2-(3-Oxo-cyclohexyl)-malonic acid dimethyl ester; SCHEMBL5180248; CHEMBL1967556; DTXSID70326840; CHEBI:177781; Propanedioic acid, 2-(3-oxocyclohexyl)-, 1,3-dimethyl ester; CMLD2_000035; NSC618238; AKOS015965620; CCG-102275; NSC-618238; 3-Oxocyclohexylmalonic acid dimethyl ester; NCI60_005493; 4-(4-OXOQUINAZOLIN-3(4H)-YL)BUTANOICACID; SR-05000001256; SR-05000001256-1; 1,3-DIMETHYL 2-(3-OXOCYCLOHEXYL)PROPANEDIOATE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618238	.	.	.	.	228.24	C11H16O5	69.7	281	0.8	16	0	5	5	"InChI=1S/C11H16O5/c1-15-10(13)9(11(14)16-2)7-4-3-5-8(12)6-7/h7,9H,3-6H2,1-2H3"	COC(=O)C(C1CCCC(=O)C1)C(=O)OC	XRRVFMYYAGGSJO-UHFFFAOYSA-N
DG52828	"2-Benzoylspiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-1-carbonitrile"	358297	NSC618239; CHEMBL1974525; NSC-618239; NCI60_005494	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618239	.	.	.	.	326.4	C19H22N2O3	62.6	528	2.2	24	0	4	1	"InChI=1S/C19H22N2O3/c20-13-17-16-6-8-19(23-10-11-24-19)12-15(16)7-9-21(17)18(22)14-4-2-1-3-5-14/h1-5,15-17H,6-12H2"	C1CC2(CC3C1C(N(CC3)C(=O)C4=CC=CC=C4)C#N)OCCO2	ZRESZLJDPVQHDJ-UHFFFAOYSA-N
DG52829	"methyl 2-[(2R,5R)-1-benzoyl-2-cyano-5-(2-nitroethyl)piperidin-4-yl]acetate"	358298	NSC618240; NSC-618240; NCI60_005495	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618240	.	.	.	.	359.4	C18H21N3O5	116	573	1.8	26	0	6	6	"InChI=1S/C18H21N3O5/c1-26-17(22)10-15-9-16(11-19)20(12-14(15)7-8-21(24)25)18(23)13-5-3-2-4-6-13/h2-6,14-16H,7-10,12H2,1H3/t14-,15 ,16+/m0/s1"	COC(=O)CC1C[C@@H](N(C[C@@H]1CC[N+](=O)[O-])C(=O)C2=CC=CC=C2)C#N	CXHODSPIINFOKX-DLDKDUQYSA-N
DG52830	"2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3-nitro-2H-chromene"	358300	"NSC618261; NCIChal_000005; CHEMBL1996244; NSC-618261; NCI60_005497; 2H-1-Benzopyran,2,2',2'-tetramethyl (4,4'-bi-1,3-dioxolan)-5-yl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618261	.	.	.	.	407.4	C20H25NO8	101	672	2.4	29	0	8	3	"InChI=1S/C20H25NO8/c1-19(2)25-10-15(27-19)17-18(29-20(3,4)28-17)16-13(21(22)23)9-11-8-12(24-5)6-7-14(11)26-16/h6-9,15-18H,10H2,1-5H3"	CC1(OCC(O1)C2C(OC(O2)(C)C)C3C(=CC4=C(O3)C=CC(=C4)OC)[N+](=O)[O-])C	XCSPWLQVNNIZQE-UHFFFAOYSA-N
DG52831	"1-diazo-N,N-dimethylmethanamine"	358305	NSC618267; CHEMBL2001945; NSC-618267; NCI60_005501	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618267	.	.	.	.	85.11	C3H7N3	5.2	70.1	0.1	6	0	1	1	"InChI=1S/C3H7N3/c1-6(2)3-5-4/h3H,1-2H3"	CN(C)C=[N+]=[N-]	MMJYLJKGUBUPHI-UHFFFAOYSA-N
DG52832	"3-Methylbut-2-enoic acid, 4-nitrophenyl ester"	358311	"3-Methylbut-2-enoic acid, 4-nitrophenyl ester; NSC618272; CHEMBL1980126; NSC-618272; NCI60_005505"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618272	.	.	.	.	221.21	C11H11NO4	72.1	294	2.9	16	0	4	3	"InChI=1S/C11H11NO4/c1-8(2)7-11(13)16-10-5-3-9(4-6-10)12(14)15/h3-7H,1-2H3"	CC(=CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C	UWHFXNUVALKMIU-UHFFFAOYSA-N
DG52833	"2-[9-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]nonylamino]cyclohepta-2,4,6-trien-1-one"	358331	NSC618296; CHEMBL2001274; NSC-618296; NCI60_005525	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618296	.	.	.	.	366.5	C23H30N2O2	58.2	621	6.4	27	2	4	12	"InChI=1S/C23H30N2O2/c26-22-16-10-6-8-14-20(22)24-18-12-4-2-1-3-5-13-19-25-21-15-9-7-11-17-23(21)27/h6-11,14-17H,1-5,12-13,18-19H2,(H,24,26)(H,25,27)"	C1=CC=C(C(=O)C=C1)NCCCCCCCCCNC2=CC=CC=CC2=O	LDVBSTOUEDMXDV-UHFFFAOYSA-N
DG52834	"2-[8-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]octylamino]cyclohepta-2,4,6-trien-1-one"	358333	NSC618298; MLS004491801; CHEMBL1976953; NSC-618298; NCI60_005527; SMR003288749	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618298	.	.	.	.	352.5	C22H28N2O2	58.2	606	5.9	26	2	4	11	"InChI=1S/C22H28N2O2/c25-21-15-9-5-7-13-19(21)23-17-11-3-1-2-4-12-18-24-20-14-8-6-10-16-22(20)26/h5-10,13-16H,1-4,11-12,17-18H2,(H,23,25)(H,24,26)"	C1=CC=C(C(=O)C=C1)NCCCCCCCCNC2=CC=CC=CC2=O	UKGMYLQCXMOFOY-UHFFFAOYSA-N
DG52835	4-(Benzyloxy)phenyl 2-methylbenzoate	358340	"4-(Benzyloxy)phenyl 2-methylbenzoate; NSC618305; Oprea1_482805; CHEMBL1975578; ZINC3090454; STK699265; AKOS001712997; MCULE-2436975246; NSC-618305; 4-(Benzyloxy)phenyl 2-methylbenzoate #; NCGC00322486-01; o-Toluylic acid, 4-benzyloxyphenyl ester; NCI60_005534; AB01317762-02; Benzoic acid, 2-methyl-, 4-benzyloxyphenyl ester; SR-01000510828; SR-01000510828-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618305	.	.	.	.	318.4	C21H18O3	35.5	381	5.2	24	0	3	6	"InChI=1S/C21H18O3/c1-16-7-5-6-10-20(16)21(22)24-19-13-11-18(12-14-19)23-15-17-8-3-2-4-9-17/h2-14H,15H2,1H3"	CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3	VAUDJIBDOMUTDP-UHFFFAOYSA-N
DG52836	"3-Hydroxy-6-methoxybenzene-1,2-dicarbonitrile"	358343	52899-60-2; NSC618308; ST51045382; CHEMBL2005672; DTXSID70326845; ZINC1613637; AKOS024390246; MCULE-2476314400; NSC-618308; DA-23553; NCI60_005537; FT-0750124	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618308	.	.	.	.	174.16	C9H6N2O2	77	272	1.5	13	1	4	1	"InChI=1S/C9H6N2O2/c1-13-9-3-2-8(12)6(4-10)7(9)5-11/h2-3,12H,1H3"	COC1=C(C(=C(C=C1)O)C#N)C#N	DEDIVRYSGQHFIA-UHFFFAOYSA-N
DG52837	"(4-Hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl) acetate"	358348	NSC618313; CHEMBL2002828; NSC-618313; NCI60_005542	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618313	.	.	.	.	206.24	C12H14O3	46.5	239	2.7	15	1	3	2	"InChI=1S/C12H14O3/c1-8(13)15-12-7-6-11(14)9-4-2-3-5-10(9)12/h6-7,14H,2-5H2,1H3"	CC(=O)OC1=C2CCCCC2=C(C=C1)O	BRRMZOVBOURVNY-UHFFFAOYSA-N
DG52838	"1-Methoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene-3,6-diol"	358349	NSC618314; ghl.PD_Mitscher_leg0.158; CHEMBL1995998; NSC-618314; NCI60_005543	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618314	.	.	.	.	218.25	C13H14O3	49.7	314	1.8	16	2	3	1	"InChI=1S/C13H14O3/c1-16-13-6-4-8(5-7-13)11-9(14)2-3-10(15)12(11)13/h2-4,6,8,14-15H,5,7H2,1H3"	COC12CCC(C=C1)C3=C(C=CC(=C23)O)O	XYSICFSWILOHCC-UHFFFAOYSA-N
DG52839	"1,4-Bis(2-ethoxyethoxy)benzene"	358350	"1,4-bis(2-ethoxyethoxy)benzene; NSC618317; SCHEMBL4061378; CHEMBL1992223; ZINC1613645; NSC-618317; NCI60_005546"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618317	.	.	.	.	254.32	C14H22O4	36.9	159	1.8	18	0	4	10	"InChI=1S/C14H22O4/c1-3-15-9-11-17-13-5-7-14(8-6-13)18-12-10-16-4-2/h5-8H,3-4,9-12H2,1-2H3"	CCOCCOC1=CC=C(C=C1)OCCOCC	XVXKTCGFRFLJPF-UHFFFAOYSA-N
DG52840	1-(2-Methoxyethoxymethoxy)-4-phenylmethoxybenzene	358352	NSC618319; CHEMBL1978435; ZINC1613647; NSC-618319; NCI60_005548	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618319	.	.	.	.	288.34	C17H20O4	36.9	245	3.2	21	0	4	9	"InChI=1S/C17H20O4/c1-18-11-12-19-14-21-17-9-7-16(8-10-17)20-13-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3"	COCCOCOC1=CC=C(C=C1)OCC2=CC=CC=C2	HCCHMPGTHDZHEN-UHFFFAOYSA-N
DG52841	"Methyl 5-cyano-5-(2,4-dichlorophenyl)-4-oxopentanoate"	358492	"NSC618500; CHEMBL1968204; methyl 5-cyano-5-(2,4-dichlorophenyl)-4-oxopentanoate; AKOS024327746; MCULE-6638013469; NSC-618500; NCI60_005586"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618500	.	.	.	.	300.13	C13H11Cl2NO3	67.2	391	2.5	19	0	4	6	"InChI=1S/C13H11Cl2NO3/c1-19-13(18)5-4-12(17)10(7-16)9-3-2-8(14)6-11(9)15/h2-3,6,10H,4-5H2,1H3"	COC(=O)CCC(=O)C(C#N)C1=C(C=C(C=C1)Cl)Cl	YNUZXEVWFRODRT-UHFFFAOYSA-N
DG52842	"2,6-Dimethyl-N,N',4-triphenyl-1,4-dihydropyridine-3,5-dicarboxamide"	358533	"2,6-Dimethyl-N,N',4-triphenyl-1,4-dihydropyridine-3,5-dicarboxamide; NSC618541; Oprea1_867381; SCHEMBL7806771; CHEMBL1986516; DTXSID40326852; ZINC1108123; STK544180; AKOS005473558; MCULE-2401611617; NSC-618541; 53274-30-9; NCI60_005594; SR-01000493865; SR-01000493865-1; 2,6-DIMETHYL-N(3),N(5),4-TRIPHENYL-1,4-DIHYDRO-3,5-PYRIDINEDICARBOXAMIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618541	.	.	.	.	423.5	C27H25N3O2	70.2	697	4.5	32	3	3	5	"InChI=1S/C27H25N3O2/c1-18-23(26(31)29-21-14-8-4-9-15-21)25(20-12-6-3-7-13-20)24(19(2)28-18)27(32)30-22-16-10-5-11-17-22/h3-17,25,28H,1-2H3,(H,29,31)(H,30,32)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4	MPCYBPNOLBTPOA-UHFFFAOYSA-N
DG52843	"4-Bromo-9-tert-butyl-2,2,6,6-tetrakis(trifluoromethyl)-3,5-dioxa-11-aza-4-borabicyclo[5.3.1]undeca-1(10),7(11),8-triene"	358615	NSC618622; CHEMBL1995403; NSC-618622; NCI60_005602	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618622	.	.	.	.	555.95	C15H11BBrF12NO2	31.4	621	.	32	0	15	1	"InChI=1S/C15H11BBrF12NO2/c1-9(2,3)6-4-7-10(12(18,19)20,13(21,22)23)31-16(17)32-11(14(24,25)26,15(27,28)29)8(5-6)30-7/h4-5H,1-3H3"	B1(OC(C2=CC(=CC(=N2)C(O1)(C(F)(F)F)C(F)(F)F)C(C)(C)C)(C(F)(F)F)C(F)(F)F)Br	ZNIJYLCNGOWHRM-UHFFFAOYSA-N
DG52844	"1,1-Bis(2-bromophenyl)-2,2,2-trifluoroethanol"	358622	NSC618630; CHEMBL1993239; NSC-618630; NCI60_005607	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618630	.	.	.	.	410.02	C14H9Br2F3O	20.2	313	5	20	1	4	2	"InChI=1S/C14H9Br2F3O/c15-11-7-3-1-5-9(11)13(20,14(17,18)19)10-6-2-4-8-12(10)16/h1-8,20H"	C1=CC=C(C(=C1)C(C2=CC=CC=C2Br)(C(F)(F)F)O)Br	HWMBAASWBZYUOS-UHFFFAOYSA-N
DG52845	"5-Tert-butyl-2-methylsulfonyl-1,3-bis(prop-1-en-2-yl)benzene"	358623	NSC618631; CHEMBL1967621; NSC-618631; NCI60_005608	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618631	.	.	.	.	292.4	C17H24O2S	42.5	464	5.6	20	0	2	4	"InChI=1S/C17H24O2S/c1-11(2)14-9-13(17(5,6)7)10-15(12(3)4)16(14)20(8,18)19/h9-10H,1,3H2,2,4-8H3"	CC(=C)C1=CC(=CC(=C1S(=O)(=O)C)C(=C)C)C(C)(C)C	ZVQBSYFDVLCYRE-UHFFFAOYSA-N
DG52846	"3,4,5,6-Tetramethyl-2,7,8,9-tetraoxa-1lambda4-telluratetracyclo[3.2.1.11,4.03,6]nonane"	358627	NSC618635; CHEMBL1998318; NSC-618635; NCI60_005609	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618635	.	.	.	.	299.8	C8H12O4Te	36.9	275	.	13	0	4	0	"InChI=1S/C8H12O4Te/c1-5-6(2)8(4)7(5,3)11-13(9-5,10-6)12-8/h1-4H3"	CC12C3(C4(C1(O[Te](O2)(O3)O4)C)C)C	APGSMPJOMWFSAX-UHFFFAOYSA-N
DG52847	"1,1',5,5',6,6',7,7'-Octamethyl-3,3'-spirobi[2,4-dioxa-3lambda4-tellurabicyclo[3.2.0]heptane]-6,6',7,7'-tetrol"	358628	NSC618636; CHEMBL1992123; NSC-618636; NCI60_005610	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618636	.	.	.	.	476	C16H28O8Te	118	588	.	25	4	8	0	"InChI=1S/C16H28O8Te/c1-9(17)10(2,18)14(6)13(9,5)21-25(22-14)23-15(7)11(3,19)12(4,20)16(15,8)24-25/h17-20H,1-8H3"	CC1(C(C2(C1(O[Te]3(O2)OC4(C(C(C4(O3)C)(C)O)(C)O)C)C)C)(C)O)O	MNYQJCSAHNJDKM-UHFFFAOYSA-N
DG52848	NSC618641	358630	"7-Tert-butyl-9,9,9',9'-tetrakis(trifluoromethyl)-7,7'-spirobi[8-oxa-7-silanuidabicyclo[4.3.0]nona-1,3,5-triene];tetramethylazanium; NSC618641; NSC-618641"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618641	.	.	.	.	643.6	C26H29F12NO2Si	18.5	838	.	42	0	15	1	"InChI=1S/C22H17F12O2Si.C4H12N/c1-16(2,3)37(14-10-6-4-8-12(14)17(35-37,19(23,24)25)20(26,27)28)15-11-7-5-9-13(15)18(36-37,21(29,30)31)22(32,33)34;1-5(2,3)4/h4-11H,1-3H3;1-4H3/q-1;+1"	CC(C)(C)[Si-]12(C3=CC=CC=C3C(O1)(C(F)(F)F)C(F)(F)F)C4=CC=CC=C4C(O2)(C(F)(F)F)C(F)(F)F.C[N+](C)(C)C	FYIKPMSARTZTTL-UHFFFAOYSA-N
DG52849	NSC618642	358632	"6-Tert-butyl-4-[2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,1-bis(trifluoromethyl)spiro[2-benzofuran-3,10'-anthracene]-9'-one; NSC618642; CHEMBL1996786; NSC-618642; 6-tert-butyl-4-[2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,1-bis(trifluoromethyl)spiro[2-benzofuran-3,10'-anthracene]-9'-one; NCI60_005615"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618642	.	.	.	.	704.9	C31H21ClF12O3	35.5	1130	10	47	0	15	4	"InChI=1S/C31H21ClF12O3/c1-24(2,3)15-12-20(26(46-14-32,28(33,34)35)29(36,37)38)22-21(13-15)27(30(39,40)41,31(42,43)44)47-25(22)18-10-6-4-8-16(18)23(45)17-9-5-7-11-19(17)25/h4-13H,14H2,1-3H3"	CC(C)(C)C1=CC2=C(C(=C1)C(C(F)(F)F)(C(F)(F)F)OCCl)C3(C4=CC=CC=C4C(=O)C5=CC=CC=C53)OC2(C(F)(F)F)C(F)(F)F	CBZRRAAINBQVKG-UHFFFAOYSA-N
DG52850	"2-[2,6-ditert-butyl-2-methyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol"	358635	NSC618645; CHEMBL1988505; NSC-618645; NCI60_005617	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618645	.	.	.	.	563.4	C22H25F12NO2	41.5	819	8.4	37	2	15	3	"InChI=1S/C22H25F12NO2/c1-14(2,3)10-8-11(17(36,19(23,24)25)20(26,27)28)13-12(9-10)18(21(29,30)31,22(32,33)34)37-16(7,35-13)15(4,5)6/h8-9,35-36H,1-7H3"	CC1(NC2=C(C=C(C=C2C(C(F)(F)F)(C(F)(F)F)O)C(C)(C)C)C(O1)(C(F)(F)F)C(F)(F)F)C(C)(C)C	MQCCMBMQLDYJFM-UHFFFAOYSA-N
DG52851	"2-[2,6-Ditert-butyl-4,4-bis(trifluoromethyl)-1,2-dihydro-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol"	358636	"NSC618646; CHEMBL1974727; NSC-618646; 2-[2,6-ditert-butyl-4,4-bis(trifluoromethyl)-1,2-dihydro-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol; NCI60_005618"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618646	.	.	.	.	549.4	C21H23F12NO2	41.5	773	8.2	36	2	15	3	"InChI=1S/C21H23F12NO2/c1-14(2,3)9-7-10(16(35,18(22,23)24)19(25,26)27)12-11(8-9)17(20(28,29)30,21(31,32)33)36-13(34-12)15(4,5)6/h7-8,13,34-35H,1-6H3"	CC(C)(C)C1NC2=C(C=C(C=C2C(C(F)(F)F)(C(F)(F)F)O)C(C)(C)C)C(O1)(C(F)(F)F)C(F)(F)F	BRDSRSQOIIUZCM-UHFFFAOYSA-N
DG52852	"2-[2,6-ditert-butyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoro-propan-2-ol"	358637	"NSC618647; CHEMBL2004353; NSC-618647; NCI60_005619; 2-(2,6-Di-tert-butyl-2-phenyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-8-yl)-1,1,1,3,3,3-hexafluoro-2-propanol; 2-[2,6-ditert-butyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoro-propan-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618647	.	.	.	.	625.5	C27H27F12NO2	41.5	939	9.5	42	2	15	4	"InChI=1S/C27H27F12NO2/c1-19(2,3)15-12-16(21(41,24(28,29)30)25(31,32)33)18-17(13-15)22(26(34,35)36,27(37,38)39)42-23(40-18,20(4,5)6)14-10-8-7-9-11-14/h7-13,40-41H,1-6H3"	CC(C)(C)C1=CC2=C(C(=C1)C(C(F)(F)F)(C(F)(F)F)O)NC(OC2(C(F)(F)F)C(F)(F)F)(C3=CC=CC=C3)C(C)(C)C	MVWZIZIAULTPQD-UHFFFAOYSA-N
DG52853	"8-(3,4,5-Trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one"	358792	NSC618861; CHEMBL1982777; NSC-618861; NCI60_005648	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618861	.	.	.	.	396.4	C22H20O7	72.4	662	3	29	0	7	4	"InChI=1S/C22H20O7/c1-24-18-6-11(7-19(25-2)22(18)26-3)20-12-8-16-17(28-10-27-16)9-15(12)29-14-5-4-13(23)21(14)20/h6-9,20H,4-5,10H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3OC5=C2C(=O)CC5)OCO4	ORJHTLCGWHLLIX-UHFFFAOYSA-N
DG52854	"6,9-Dihydro-9-(3,4,5-trimethoxyphenyl)furo[3',4':5,6]pyrano[2,3-F]-1,3-benzodioxole-8-one"	358793	"MLS002702909; NSC618862; CHEMBL1411422; SCHEMBL14535469; AKOS024419433; MCULE-6804781961; NSC-618862; NCGC00161928-01; BP-30209; NCI60_005649; SMR001566724; 6,4,5-TRIMETHOXYPHENYL)FURO[3',4':5,6]PYRANO[2,3-F]-1,3-BENZODIOXOLE-8-ONE; 9-(3,4,5-TRI-MEO-PH)-6,9-2H-1,3,5,7-TETRAOXA-DICYCLOPENTA(B,G)NAPHTHALEN-8-ONE; 9-(3,4,5-Trimethoxyphenyl)-2H,9H-1,3,5,7-tetraoxadicyclopenta[b,g]naphthalen-8(6H)-one; 9-(3,4,5-trimethoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one; 6,9-DIHYDRO-9-(3,4,5-TRIMETHOXYPHENYL)FURO[3',4':5,6]PYRANO[2,3-F]-1,3-BENZODIOXOLE-8-ONE; Furo[3',6]pyrano[2,3-f]-1,3-benzodioxole-8-one, 6,9-dihydro-9-(3,4,5-trimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618862	.	.	.	.	398.4	C21H18O8	81.7	664	2.7	29	0	8	4	"InChI=1S/C21H18O8/c1-23-15-4-10(5-16(24-2)20(15)25-3)18-11-6-13-14(28-9-27-13)7-12(11)29-17-8-26-21(22)19(17)18/h4-7,18H,8-9H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4	DWWALFYNQWNXFV-UHFFFAOYSA-N
DG52855	Demethylnobiletin	358832	"5-Demethylnobiletin; 5-O-Demethylnobiletin; Demethylnobiletin; 2174-59-6; 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-4-one; 5-O-Desmethylnobiletin; 5-hydroxy-6,7,8,3',4'-pentamethoxyflavone; 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxychromen-4-one; UNII-OGE0V42MOT; OGE0V42MOT; 5-Hydroxy-3',4',6,7,8-pentamethoxyflavone; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-; 5-demethyl nobiletin; CHEMBL75978; SPECTRUM1505030; SCHEMBL1764120; 5-Desmethoxynobiletin (incorr.); DTXSID60176134; CHEBI:175933; HY-N1942; ZINC1614079; 1047AB; LMPK12111479; MFCD08458849; NSC618927; s9421; AKOS016010675; CCG-214126; NSC-618927; NCGC00094903-01; AC-34652; AS-78590; NCI60_005663; CS-0018253; FT-0698018; A878936; Flavone, 5-hydroxy-3',4',6,7,8-pentamethoxy-; SR-05000002635; SR-05000002635-1; BRD-K17726681-001-01-0; Q27285643; 2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618927	.	.	.	.	388.4	C20H20O8	92.7	579	3.2	28	1	8	6	"InChI=1S/C20H20O8/c1-23-12-7-6-10(8-14(12)24-2)13-9-11(21)15-16(22)18(25-3)20(27-5)19(26-4)17(15)28-13/h6-9,22H,1-5H3"	COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC	DOFJNFPSMUCECH-UHFFFAOYSA-N
DG52856	"2-((2''-(Dimethylamino)ethyl)thio)-4,6-bis(3'-((2'''-(dimethylamino)ethyl)thio)phenyl)pyrimidine trihydrobromide"	358880	"NSC619007; 2,3',3''-SEtNMe2-4,6-diPh-Pyr; 129224-94-8; 131407-80-2; Ethanamine, 2,2'-((2-((2-(dimethylamino)ethyl)thio)-4,6-pyrimidinediyl)bis(3,1-phenylenethio))bis(N,N-dimethyl-; Ethanamine, 2,2'-[[2-[[2-(dimethylamino)ethyl]thio]-4,6-pyrimidinediyl]bis(3,1-phenylenethio)]bis[N,N-dimethyl-; NSC 619007; CHEMBL154598; DTXSID70926324; NSC-619007; 2-((2''-(Dimethylamino)ethyl)thio)-4,6-bis(3'-((2'''-(dimethylamino)ethyl)thio)phenyl)pyrimidine trihydrobromide; NCI60_005677; 2-(2-Dimethylaminoethylthio)-4,6-bis[3-(2-dimethylaminoethylthio)phenyl]pyrimidine; 2,2'-{(2-{[2-(Dimethylamino)ethyl]sulfanyl}pyrimidine-4,6-diyl)bis[(3,1-phenylene)sulfanediyl]}bis(N,N-dimethylethan-1-amine); 2-[(N,N-Dimethylamino)ethylthio]-4,6-bis[3-((2-N,N-dimethylamino)ethylthio)phenyl]-pyrimidine; 2-[3-[2-(2-dimethylaminoethylsulfanyl)-6-[3-(2-dimethylaminoethylsulfanyl)phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethyl-ethanamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619007	.	.	.	.	541.8	C28H39N5S3	111	552	5.5	36	0	8	14	"InChI=1S/C28H39N5S3/c1-31(2)13-16-34-24-11-7-9-22(19-24)26-21-27(30-28(29-26)36-18-15-33(5)6)23-10-8-12-25(20-23)35-17-14-32(3)4/h7-12,19-21H,13-18H2,1-6H3"	CN(C)CCSC1=CC=CC(=C1)C2=CC(=NC(=N2)SCCN(C)C)C3=CC(=CC=C3)SCCN(C)C	SBSYEFHUQYUCED-UHFFFAOYSA-N
DG52857	"Pyrimidine, 4-benzo(b)thien-2-yl-5-methyl-2-((2-(4-methyl-1-piperazinyl)ethyl)thio)-"	358883	"129242-20-2; NSC619012; UNII-RD3GVR673P; NSC 619012; RD3GVR673P; 4-Benzothienyl-5Me-2SEt(4MePiperazine)Pyr; Pyrimidine, 4-benzo(b)thien-2-yl-5-methyl-2-((2-(4-methyl-1-piperazinyl)ethyl)thio)-; Pyrimidine,4-benzo[b]thien-2-yl-5-methyl-2-((2-(4-methyl-1-piperazinyl)ethyl)thio)-; Pyrimidine, 4-benzo[b]thien-2-yl-5-methyl-2-[[2-(4-methyl-1-piperazinyl)ethyl]thio]-; CHEMBL2001293; DTXSID30156125; ZINC19365191; NSC-619012; NCI60_005679; 4-(benzothiophen-2-yl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidine; 4-Benzo(b)thien-2-yl-5-methyl-2-((2-(4-methyl-1-piperazinyl)ethyl)thio)pyrimidine; 4-Benzo[b]thien-2-yl-5-methyl-2-[[2-(4-methyl-1-piperazinyl)ethyl]thio]pyrimidine - unfused bicyclic pyrimidine derivative"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619012	.	.	.	.	384.6	C20H24N4S2	85.8	444	4	26	0	6	5	"InChI=1S/C20H24N4S2/c1-15-14-21-20(25-12-11-24-9-7-23(2)8-10-24)22-19(15)18-13-16-5-3-4-6-17(16)26-18/h3-6,13-14H,7-12H2,1-2H3"	CC1=CN=C(N=C1C2=CC3=CC=CC=C3S2)SCCN4CCN(CC4)C	KNELXRNFFDSJLO-UHFFFAOYSA-N
DG52858	"2-((4-(1-Benzothien-2-yl)-2-pyrimidinyl)thio)-N,N-dimethylethanamine"	358884	"NSC619013; CHEMBL1967330; 2-((4-(1-Benzothien-2-yl)-2-pyrimidinyl)thio)-N,N-dimethylethanamine; NSC-619013; NCI60_005680; 2-[4-(benzothiophen-2-yl)pyrimidin-2-yl]sulfanyl-N,N-dimethyl-ethanamine; N-(2-((4-(1-Benzothien-2-yl)-2-pyrimidinyl)thio)ethyl)-N,N-dimethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619013	.	.	.	.	315.5	C16H17N3S2	82.6	327	3.8	21	0	5	5	"InChI=1S/C16H17N3S2/c1-19(2)9-10-20-16-17-8-7-13(18-16)15-11-12-5-3-4-6-14(12)21-15/h3-8,11H,9-10H2,1-2H3"	CN(C)CCSC1=NC=CC(=N1)C2=CC3=CC=CC=C3S2	BKVNIDQDQPBBDU-UHFFFAOYSA-N
DG52859	CC-1065 Analog	358898	"U80244;U-80244;U 80244; CC-1065 ANALOG; NSC619029; NCI60_005682; FT-0696979; 2-Benzofurancarboxamide,6-dihydro-8-methyl-5-[[(phenylamino)carbonyl]oxy] benzo[1,2-b:4,3-b']dipyrrol-3(2H)-yl]carbonyl]-1H-indol-5-yl]-6-(diethylamino)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619029	.	.	.	.	729.2	C41H37ClN6O5	136	1320	7.9	53	4	6	10	"InChI=1S/C41H37ClN6O5/c1-4-47(5-2)29-13-11-24-17-35(52-33(24)18-29)39(49)44-28-12-14-30-25(15-28)16-31(46-30)40(50)48-22-26(20-42)37-32(48)19-34(38-36(37)23(3)21-43-38)53-41(51)45-27-9-7-6-8-10-27/h6-19,21,26,43,46H,4-5,20,22H2,1-3H3,(H,44,49)(H,45,51)"	CCN(CC)C1=CC2=C(C=C1)C=C(O2)C(=O)NC3=CC4=C(C=C3)NC(=C4)C(=O)N5CC(C6=C7C(=CNC7=C(C=C65)OC(=O)NC8=CC=CC=C8)C)CCl	BBZDXMBRAFTCAA-UHFFFAOYSA-N
DG52860	"2,6-Bis-(dimethylaminomethyl)-cyclohexanone dihydrochloride"	358899	"NSC38525; 20115-17-7; NSC619042; NSC-38525; CHEMBL1981522; DTXSID50942143; AKOS024322975; MCULE-2711152092; NSC-619042; Cyclohexanone,6-bis[(dimethylamino)methyl]-, dihydrochloride; 2,6-BIS-(DIMETHYLAMINOMETHYL)-CYCLOHEXANONE DIHYDROCHLORIDE; 2,6-Bis[(dimethylamino)methyl]cyclohexan-1-one--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619042	.	.	.	.	248.79	C12H25ClN2O	23.6	194	.	16	1	3	4	"InChI=1S/C12H24N2O.ClH/c1-13(2)8-10-6-5-7-11(12(10)15)9-14(3)4;/h10-11H,5-9H2,1-4H3;1H"	CN(C)CC1CCCC(C1=O)CN(C)C.Cl	JKDMLBMSEBGSQF-UHFFFAOYSA-N
DG52861	"1,1-Dioxido-1,5-benzothiazepin-4-yl methyl ether"	358940	"111888-32-5; NSC619102; 1,1-Dioxido-1,5-benzothiazepin-4-yl methyl ether; NSC 619102; 4-Methoxy-1,5-benzothiazepine 1,1-dioxide; 4-Methoxy-1,1-dioxide; CHEMBL1996747; DTXSID20149763; ZINC1614188; NSC-619102; NCI60_005688; 4-Methoxy-1,5-benzothiazepine-1,1-dioxide; 4-methoxy-1$l^{6},5-benzothiazepine 1,1-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619102	.	.	.	.	223.25	C10H9NO3S	64.099	391	0.9	15	0	4	1	"InChI=1S/C10H9NO3S/c1-14-10-6-7-15(12,13)9-5-3-2-4-8(9)11-10/h2-7H,1H3"	COC1=NC2=CC=CC=C2S(=O)(=O)C=C1	RMBDJWKSEQLZLA-UHFFFAOYSA-N
DG52862	"1,2,4-Benzotriazine, 1,4-dioxide"	358960	"1,2,4-Benzotriazine, 1,4-dioxide; NSC619147; 121135-31-7; SR 4482; SCHEMBL1274568; CHEMBL1990188; DTXSID00153166; NSC-619147; NCI60_005692; 1,4-dioxido-1,2,4-benzotriazine-1,4-diium; 1.Lambda.~5~,2,4.lambda.~5~-Benzotriazine-1,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619147	.	.	.	.	163.13	C7H5N3O2	58.7	229	-0.1	12	0	4	0	InChI=1S/C7H5N3O2/c11-9-5-8-10(12)7-4-2-1-3-6(7)9/h1-5H	C1=CC=C2C(=C1)N(N=C[N+]2=O)[O-]	GTLQQCMKADHZLK-UHFFFAOYSA-N
DG52863	"2,2,2-trifluoro-N-(2-oxocyclopentyl)acetamide"	358975	"2,2,2-trifluoro-N-(2-oxocyclopentyl)acetamide; NSC619171; CHEMBL1996764; AKOS040732117; NSC-619171; NCI60_005705; F9994-6556; 906719-77-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619171	.	.	.	.	195.14	C7H8F3NO2	46.2	236	1	13	1	5	1	"InChI=1S/C7H8F3NO2/c8-7(9,10)6(13)11-4-2-1-3-5(4)12/h4H,1-3H2,(H,11,13)"	C1CC(C(=O)C1)NC(=O)C(F)(F)F	YGPMJMUHCRQNQP-UHFFFAOYSA-N
DG52864	"5-amino-2-(2,3-dihydroxypropyl)-1,2,4-thiadiazol-3(2H)-one"	358985	"NSC619192; CHEMBL1979911; 5-amino-2-(2,3-dihydroxypropyl)-1,2,4-thiadiazol-3(2H)-one; NSC-619192; NCI60_005724; 5-amino-2-glyceryl-1,2,4-thiadiazol-3-one; 5-amino-2-(2,3-dihydroxy-propyl)-[1,2,4]thiadiazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619192	.	.	.	.	191.21	C5H9N3O3S	124	220	-1.8	12	3	4	3	"InChI=1S/C5H9N3O3S/c6-4-7-5(11)8(12-4)1-3(10)2-9/h3,9-10H,1-2H2,(H2,6,7,11)"	C(C(CO)O)N1C(=O)N=C(S1)N	BTQHPUJKFFDNBR-UHFFFAOYSA-N
DG52865	"N',N'''-(Dodecane-1,12-diyl)bis(6-chloropyrimidine-2,4-diamine)"	358988	"NSC619195; CHEMBL1976300; NSC-619195; NCI60_005727; N',N'''-(Dodecane-1,12-diyl)bis(6-chloropyrimidine-2,4-diamine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619195	.	.	.	.	455.4	C20H32Cl2N8	128	396	6.7	30	4	8	15	"InChI=1S/C20H32Cl2N8/c21-15-13-17(29-19(23)27-15)25-11-9-7-5-3-1-2-4-6-8-10-12-26-18-14-16(22)28-20(24)30-18/h13-14H,1-12H2,(H3,23,25,27,29)(H3,24,26,28,30)"	C1=C(N=C(N=C1Cl)N)NCCCCCCCCCCCCNC2=CC(=NC(=N2)N)Cl	VKBKIQYIHZMYSV-UHFFFAOYSA-N
DG52866	"4-N-[12-[(5-amino-6-chloropyrimidin-4-yl)amino]dodecyl]-6-chloropyrimidine-4,5-diamine"	358989	NSC619196; CHEMBL1974437; ZINC5809477; NSC-619196; NCI60_005728	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619196	.	.	.	.	455.4	C20H32Cl2N8	128	396	6.1	30	4	8	15	"InChI=1S/C20H32Cl2N8/c21-17-15(23)19(29-13-27-17)25-11-9-7-5-3-1-2-4-6-8-10-12-26-20-16(24)18(22)28-14-30-20/h13-14H,1-12,23-24H2,(H,25,27,29)(H,26,28,30)"	C1=NC(=C(C(=N1)Cl)N)NCCCCCCCCCCCCNC2=C(C(=NC=N2)Cl)N	LXWCDSNTODNEPX-UHFFFAOYSA-N
DG52867	"dimethyl (1S)-6,7,8-trimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene-2,3-dicarboxylate"	359002	NSC619214; NSC-619214; NCI60_005742	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619214	.	.	.	.	502.5	C26H30O10	108	771	3.4	36	0	10	11	"InChI=1S/C26H30O10/c1-29-16-11-14(12-17(30-2)22(16)32-4)19-20-13(10-18(31-3)23(33-5)24(20)34-6)9-15(25(27)35-7)21(19)26(28)36-8/h9-12,19,21H,1-8H3/t19-,21 /m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@@H]2C(C(=CC3=CC(=C(C(=C23)OC)OC)OC)C(=O)OC)C(=O)OC	IMZGATWONIEBEF-ZQRQZVKFSA-N
DG52868	"dimethyl (8S)-8-(1,3-benzodioxol-5-yl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate"	359004	NSC619216; NSC-619216; NCI60_005744	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619216	.	.	.	.	410.4	C22H18O8	89.5	720	3.2	30	0	8	5	"InChI=1S/C22H18O8/c1-25-21(23)14-5-12-7-17-18(30-10-29-17)8-13(12)19(20(14)22(24)26-2)11-3-4-15-16(6-11)28-9-27-15/h3-8,19-20H,9-10H2,1-2H3/t19-,20 /m0/s1"	COC(=O)C1[C@H](C2=CC3=C(C=C2C=C1C(=O)OC)OCO3)C4=CC5=C(C=C4)OCO5	HSQNZAUVIJBJOR-XJDOXCRVSA-N
DG52869	"Methyl 2-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate"	359010	NSC619222; CHEMBL1991131; NSC-619222; NCI60_005750	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619222	.	.	.	.	414.4	C22H22O8	81.7	635	3.3	30	0	8	7	"InChI=1S/C22H22O8/c1-24-18-8-13(9-19(25-2)21(18)26-3)20-14(22(23)27-4)10-16(30-20)12-5-6-15-17(7-12)29-11-28-15/h5-9,16H,10-11H2,1-4H3"	COC1=CC(=CC(=C1OC)OC)C2=C(CC(O2)C3=CC4=C(C=C3)OCO4)C(=O)OC	XPYVEYIFZHTOLB-UHFFFAOYSA-N
DG52870	"Methyl 5-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate"	359011	NSC619223; CHEMBL1990801; NSC-619223; NCI60_005751	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619223	.	.	.	.	414.4	C22H22O8	81.7	635	3.3	30	0	8	7	"InChI=1S/C22H22O8/c1-24-18-8-13(9-19(25-2)21(18)26-3)16-10-14(22(23)27-4)20(30-16)12-5-6-15-17(7-12)29-11-28-15/h5-9,16H,10-11H2,1-4H3"	COC1=CC(=CC(=C1OC)OC)C2CC(=C(O2)C3=CC4=C(C=C3)OCO4)C(=O)OC	HGFZONBJGTZYLO-UHFFFAOYSA-N
DG52871	[5-(6-Amino-2-chloropurin-9-yl)oxolan-2-yl]methanol	359064	MLS003373963; CHEMBL14562; SCHEMBL19242566; NSC619531; NSC-619531; NCI60_005778; SMR002048752; FT-0774787	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619531	.	.	.	.	269.69	C10H12ClN5O2	99.1	310	0.8	18	2	6	2	"InChI=1S/C10H12ClN5O2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2,(H2,12,14,15)"	C1CC(OC1CO)N2C=NC3=C(N=C(N=C32)Cl)N	FNLILOONPKMGST-UHFFFAOYSA-N
DG52872	"9-Methyl-1-(1-methyl-1H-pyrrol-2-yl)-9H-carbazole-3,4-dicarboxylic acid dimethyl ester"	359066	"NSC619533; CHEMBL1997469; NSC-619533; NCI60_005780; 9-Methyl-1-(1-methyl-1H-pyrrol-2-yl)-9H-carbazole-3,4-dicarboxylic acid dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619533	.	.	.	.	376.4	C22H20N2O4	62.5	611	3.4	28	0	4	5	"InChI=1S/C22H20N2O4/c1-23-11-7-10-16(23)14-12-15(21(25)27-3)19(22(26)28-4)18-13-8-5-6-9-17(13)24(2)20(14)18/h5-12H,1-4H3"	CN1C=CC=C1C2=CC(=C(C3=C2N(C4=CC=CC=C43)C)C(=O)OC)C(=O)OC	FOJKTOULWDGGGW-UHFFFAOYSA-N
DG52873	"5-(3-Phenyl-3-oxo-1-propynyl)pyrimidine-2,4(1H,3H)-dione"	359098	"NSC619674; CHEMBL304659; ZINC1614328; NSC-619674; NCI60_005790; 5-(3-Phenyl-3-oxo-1-propynyl)pyrimidine-2,4(1H,3H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619674	.	.	.	.	240.21	C13H8N2O3	75.3	487	1	18	2	3	2	"InChI=1S/C13H8N2O3/c16-11(9-4-2-1-3-5-9)7-6-10-8-14-13(18)15-12(10)17/h1-5,8H,(H2,14,15,17,18)"	C1=CC=C(C=C1)C(=O)C#CC2=CNC(=O)NC2=O	UBLTWZQWEKQURJ-UHFFFAOYSA-N
DG52874	"5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione"	359099	"5-[3-Oxo-3-(2-chlorophenyl)-1-propynyl]pyrimidine-2,4(1H,3H)-dione; NSC619675; CHEMBL62185; ZINC1614329; 5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione; NSC-619675; NCI60_005791"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619675	.	.	.	.	274.66	C13H7ClN2O3	75.3	527	1.6	19	2	3	2	"InChI=1S/C13H7ClN2O3/c14-10-4-2-1-3-9(10)11(17)6-5-8-7-15-13(19)16-12(8)18/h1-4,7H,(H2,15,16,18,19)"	C1=CC=C(C(=C1)C(=O)C#CC2=CNC(=O)NC2=O)Cl	GZMIRCXQHWFEGW-UHFFFAOYSA-N
DG52875	"5-[3-(4-Methoxyphenyl)-3-oxo-1-propynyl]pyrimidine-2,4(1H,3H)-dione"	359101	"NSC619677; CHEMBL36612; NSC-619677; NCI60_005793; 5-[3-(4-Methoxyphenyl)-3-oxo-1-propynyl]pyrimidine-2,4(1H,3H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619677	.	.	.	.	270.24	C14H10N2O4	84.5	530	0.9	20	2	4	3	"InChI=1S/C14H10N2O4/c1-20-11-5-2-9(3-6-11)12(17)7-4-10-8-15-14(19)16-13(10)18/h2-3,5-6,8H,1H3,(H2,15,16,18,19)"	COC1=CC=C(C=C1)C(=O)C#CC2=CNC(=O)NC2=O	YLIJJQODIVITAW-UHFFFAOYSA-N
DG52876	"8-(4-Methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one"	359106	NSC619688; CHEMBL1983556; NSC-619688; NCI60_005797	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619688	.	.	.	.	338.3	C19H14O6	63.2	579	2.7	25	0	6	2	"InChI=1S/C19H14O6/c1-21-11-4-2-10(3-5-11)17-12-6-14-15(24-9-23-14)7-13(12)25-16-8-22-19(20)18(16)17/h2-7,17H,8-9H2,1H3"	COC1=CC=C(C=C1)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4	ZXHDHQRXWBWDTH-UHFFFAOYSA-N
DG52877	"8-(2,3-Dimethoxyphenyl)-6-(hydroxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid"	359112	"NSC619692; CHEMBL1974823; NSC-619692; 8-(2,3-Dimethoxyphenyl)-6-(hydroxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid; NCI60_005801"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619692	.	.	.	.	386.4	C20H18O8	104	619	1.9	28	2	8	5	"InChI=1S/C20H18O8/c1-24-12-5-3-4-10(19(12)25-2)17-11-6-14-15(27-9-26-14)7-13(11)28-16(8-21)18(17)20(22)23/h3-7,17,21H,8-9H2,1-2H3,(H,22,23)"	COC1=CC=CC(=C1OC)C2C3=CC4=C(C=C3OC(=C2C(=O)O)CO)OCO4	RFIGOHQLDLBCIG-UHFFFAOYSA-N
DG52878	"6-bromo-3H-1,2,3-benzodithiazole-2-oxide"	359157	"NSC619837; 6-bromo-3H-1,2,3-benzodithiazole-2-oxide; CHEMBL1977988; ZINC5809711; ZINC6513336; NSC-619837; 73011-23-1; NCI60_005819"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619837	.	.	.	.	250.1	C6H4BrNOS2	89.3	189	2.2	11	1	3	0	"InChI=1S/C6H4BrNOS2/c7-4-1-2-5-6(3-4)10-11(9)8-5/h1-3,8H"	C1=CC2=C(C=C1Br)SS(=O)N2	QCAVOIFYYYBGOQ-UHFFFAOYSA-N
DG52879	"3-[(2,3-dimethoxyphenyl)methyl]-7,8-dimethoxy-5-methylsulfanyl-2,5-dihydro-1H-3-benzazepin-4-one"	359177	"NSC-619859; NSC619859; Neuro_000249; CHEMBL1977675; NCI60_005824; 1H-3-Benzazepin-2-one,3,4,5-tetrahydro-7,8-dimethoxy- 3-[(2,3-dimethoxyphenyl)methyl]-1-methylthio-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619859	.	.	.	.	417.5	C22H27NO5S	82.5	535	3.5	29	0	6	7	"InChI=1S/C22H27NO5S/c1-25-17-8-6-7-15(20(17)28-4)13-23-10-9-14-11-18(26-2)19(27-3)12-16(14)21(29-5)22(23)24/h6-8,11-12,21H,9-10,13H2,1-5H3"	COC1=CC=CC(=C1OC)CN2CCC3=CC(=C(C=C3C(C2=O)SC)OC)OC	CVALYQRNZBJMFA-UHFFFAOYSA-N
DG52880	"Benzo[1,5-c']dipyrrole-1,3,5,7(2H,6H)-tetraimine"	359178	"NSC619860; NCIMech_000162; SCHEMBL4622551; CHEMBL1979594; SCHEMBL14220539; CCG-35290; NSC-619860; NCI60_005825; Benzo[1,5-c']dipyrrole-1,3,5,7(2H,6H)-tetraimine; Benzo[1,2-c:4,5-c']dipyrrole-1,3,5,7(2H,6H)-tetrimine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619860	.	.	.	.	212.21	C10H8N6	125	408	-1	16	4	2	0	"InChI=1S/C10H8N6/c11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h1-2H,(H3,11,13,15)(H3,12,14,16)"	C1=C2C(=CC3=C1C(=NC3=N)N)C(=N)N=C2N	RRAPLYNIIXTZEZ-UHFFFAOYSA-N
DG52881	"2,4-Dimethoxy-3-phenylmethoxybenzamide"	359192	NSC619874; CHEMBL2005624; NSC-619874; NCI60_005836	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619874	.	.	.	.	287.31	C16H17NO4	70.8	330	2.2	21	1	4	6	"InChI=1S/C16H17NO4/c1-19-13-9-8-12(16(17)18)14(20-2)15(13)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H2,17,18)"	COC1=C(C(=C(C=C1)C(=O)N)OC)OCC2=CC=CC=C2	ABHXDGVNAYYEGS-UHFFFAOYSA-N
DG52882	"5-Bromo-6-(2-methyl-1,3-dithian-2-yl)-1,3-benzodioxole"	359193	NSC619875; CHEMBL1979010; NSC-619875; NCI60_005837	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619875	.	.	.	.	333.3	C12H13BrO2S2	69.1	284	4	17	0	4	1	"InChI=1S/C12H13BrO2S2/c1-12(16-3-2-4-17-12)8-5-10-11(6-9(8)13)15-7-14-10/h5-6H,2-4,7H2,1H3"	CC1(SCCCS1)C2=CC3=C(C=C2Br)OCO3	DMOZTQIEWWPZEE-UHFFFAOYSA-N
DG52883	"6-Bromo-1,3-benzodioxole-5-carbaldehyde diethyldithioacetal"	359194	"NSC619876; CHEMBL2000789; NSC-619876; NCI60_005838; 6-Bromo-1,3-benzodioxole-5-carbaldehyde diethyldithioacetal"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619876	.	.	.	.	335.3	C12H15BrO2S2	69.1	237	4.4	17	0	4	5	"InChI=1S/C12H15BrO2S2/c1-3-16-12(17-4-2)8-5-10-11(6-9(8)13)15-7-14-10/h5-6,12H,3-4,7H2,1-2H3"	CCSC(C1=CC2=C(C=C1Br)OCO2)SCC	UKVYWBULAWDRMA-UHFFFAOYSA-N
DG52884	"1-Methyl-5-phenyl-2,3-dithiophen-2-ylpyrrole"	359203	NSC619913; CHEMBL1976113; NSC-619913; NCI60_005845	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619913	.	.	.	.	321.5	C19H15NS2	61.4	368	5	22	0	2	3	"InChI=1S/C19H15NS2/c1-20-16(14-7-3-2-4-8-14)13-15(17-9-5-11-21-17)19(20)18-10-6-12-22-18/h2-13H,1H3"	CN1C(=CC(=C1C2=CC=CS2)C3=CC=CS3)C4=CC=CC=C4	VTFMIJLUDAXCPG-UHFFFAOYSA-N
DG52885	"Methyl 6-acetyloxy-1-oxo-2,3,3a,4,5,6-hexahydroindene-4-carboxylate"	359230	NSC619939; NSC-619939; NCI60_005871	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619939	.	.	.	.	252.26	C13H16O5	69.7	423	0.4	18	0	5	4	"InChI=1S/C13H16O5/c1-7(14)18-8-5-10-9(3-4-12(10)15)11(6-8)13(16)17-2/h5,8-9,11H,3-4,6H2,1-2H3"	CC(=O)OC1CC(C2CCC(=O)C2=C1)C(=O)OC	OTFGUENZDCZDMS-UHFFFAOYSA-N
DG52886	N-(4-tert-butyl-1-ethenylcyclohexyl)benzamide	359237	NSC619946; CHEMBL2007156; ZINC1614470; NSC-619946; NCI60_005878	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619946	.	.	.	.	285.4	C19H27NO	29.1	366	4.9	21	1	1	4	"InChI=1S/C19H27NO/c1-5-19(13-11-16(12-14-19)18(2,3)4)20-17(21)15-9-7-6-8-10-15/h5-10,16H,1,11-14H2,2-4H3,(H,20,21)"	CC(C)(C)C1CCC(CC1)(C=C)NC(=O)C2=CC=CC=C2	CRPVCOSJOCCCHR-UHFFFAOYSA-N
DG52887	N-(5-aminopentan-2-yl)-6-methoxyquinolin-8-amine; phosphoric acid	359247	"N-(5-aminopentan-2-yl)-6-methoxyquinolin-8-amine; phosphoric acid; N4-(6-Methoxyquinolin-8-yl)pentane-1,4-diamine phosphate; NSC149765; 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid; 2299-91-4; MLS001334045; Quinoline, 8-[(4-amino-1-methylbutyl)amino]-6-methoxy-, phosphate; NSC-149765; SMR000875314; NSC619961; CHEMBL994; MLS002153831; HMS2234H13; HMS3259B03; Pharmakon1600-01500500; NSC757290; AKOS024462450; NC00607; NSC-619961; NSC-757290; 66616-84-0; FT-0603262; EN300-51911; 1, N4-(6-methoxy-8-quinolinyl)-, phosphate (1:2); Z2791920245; N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine; phosphoric acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	149765	.	.	.	.	357.34	C15H24N3O5P	138	312	.	24	5	8	6	"InChI=1S/C15H21N3O.H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;(H3,1,2,3,4)"	CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2.OP(=O)(O)O	RKFFPTPBADAVDU-UHFFFAOYSA-N
DG52888	"6-ethoxy-3,6-dihydro-2H-pyran"	359256	"4943-63-9; 6-ethoxy-3,6-dihydro-2H-pyran; NSC619972; SCHEMBL5243277; CHEMBL1978483; DTXSID20964231; NSC-619972; NCI60_005892"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619972	.	.	.	.	128.169	C7H12O2	18.5	99.1	1.1	9	0	2	2	"InChI=1S/C7H12O2/c1-2-8-7-5-3-4-6-9-7/h3,5,7H,2,4,6H2,1H3"	CCOC1C=CCCO1	QPSCQKRZWLJYDG-UHFFFAOYSA-N
DG52889	"5H-Benzo[a]phenoxazin-5-one, 10-(2-aminoethyl)-"	359305	"5H-Benzo[a]phenoxazin-5-one, 10-(2-aminoethyl)-; NSC620055; 1,2-Benzo-8-(2-aminoethyl)-3-phenoxazone; 114246-76-3; CHEMBL1994126; SCHEMBL14679079; DTXSID20326875; ZINC3801145; NSC-620055; NCI60_005933"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620055	.	.	.	.	290.3	C18H14N2O2	64.7	525	2.2	22	1	4	2	"InChI=1S/C18H14N2O2/c19-8-7-11-5-6-16-14(9-11)20-18-13-4-2-1-3-12(13)15(21)10-17(18)22-16/h1-6,9-10H,7-8,19H2"	C1=CC=C2C(=C1)C(=O)C=C3C2=NC4=C(O3)C=CC(=C4)CCN	PLBZJWKDDGNTJA-UHFFFAOYSA-N
DG52890	"7H-benzocycloheptene-1,4,7-trione"	359306	"7H-benzocycloheptene-1,4,7-trione; NSC620056; CHEMBL1971808; ZINC1615948; NSC-620056; 111078-80-9; NCI60_005934; 1H-Benzocycloheptene-1,7-trione, 4,7-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620056	.	.	.	.	186.16	C11H6O3	51.2	419	0.6	14	0	3	0	InChI=1S/C11H6O3/c12-7-1-3-8-9(4-2-7)11(14)6-5-10(8)13/h1-6H	C1=CC2=C(C=CC1=O)C(=O)C=CC2=O	HGNHRPJEEMWOBO-UHFFFAOYSA-N
DG52891	2-(p-Chloroanilino)-4-hydroxycyclopent-2-enone	359314	"NSC620077; 2-(p-chloroanilino)-4-hydroxycyclopent-2-enone; CHEMBL1980964; NSC-620077; 112370-65-7; NCI60_005937; 2-Cyclopentenone, 2-(4-chloroanilino)-4-hydroxy-; 2-(4-Chloroanilino)-4-hydroxy-2-cyclopenten-1-one #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620077	.	.	.	.	223.65	C11H10ClNO2	49.3	282	1.8	15	2	3	2	"InChI=1S/C11H10ClNO2/c12-7-1-3-8(4-2-7)13-10-5-9(14)6-11(10)15/h1-5,9,13-14H,6H2"	C1C(C=C(C1=O)NC2=CC=C(C=C2)Cl)O	HOWZFOFUOIGPRL-UHFFFAOYSA-N
DG52892	4-[5-(4-Carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid	359323	MLS000028738; SMR000059147; 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid; NSC620107; NSC-620107; NSC-757400; Spectrum_000750; Opera_ID_1092; Prestwick0_000553; CHEMBL935; KBioSS_001230; MLS001076101; MLS002222271; DivK1c_000389; KBio1_000389; KBio2_001230; KBio2_003798; KBio2_006366; NINDS_000389; HMS2232N14; Pharmakon1600-01500641; NSC757400; AKOS025401446; AC-1681; IDI1_000389; NCI60_005940; A807674; 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzamidine; 2-hydroxyethanesulfonic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757400	.	.	.	.	466.6	C21H30N4O6S	201	493	.	32	6	8	12	"InChI=1S/C19H24N4O2.C2H6O4S/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;3-1-2-7(4,5)6/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);3H,1-2H2,(H,4,5,6)"	C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O	NYRHYBFMOOPIRI-UHFFFAOYSA-N
DG52893	"Silane, trimethyl[3-[(trimethylsilyl)oxy]-1-propynyl]-"	359338	"Silane, trimethyl[3-[(trimethylsilyl)oxy]-1-propynyl]-; 50965-66-7; trimethyl(3-trimethylsilyloxyprop-1-ynyl)silane; Trimethyl(3-((trimethylsilyl)oxy)prop-1-yn-1-yl)silane; NSC620124; CHEMBL1966584; DTXSID60326879; ZINC195488855; NSC-620124; BS-52513; NCI60_005954; Trimethylsilylpropargyl alcohol, 2TMS derivative; 1-(Trimethylsilyl)-3-(trimethylsiloxy)-1-propyne; 3-trimethylsilylprop-2-yn-1-ol trimethylsilyl ether; Trimethylsilyl 3-(trimethylsilyl)-2-propynyl ether #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620124	.	.	.	.	200.42	C9H20OSi2	9.2	196	.	12	0	1	3	"InChI=1S/C9H20OSi2/c1-11(2,3)9-7-8-10-12(4,5)6/h8H2,1-6H3"	C[Si](C)(C)C#CCO[Si](C)(C)C	SWNKZFSGGJUUGT-UHFFFAOYSA-N
DG52894	"4-N,N-bis-2'-cyanoethylaminobenzylidene-4-fluoro aniline"	359414	"NSC620277; NCIMech_000454; CHEMBL1974528; 4-N,N-bis-2'-cyanoethylaminobenzylidene-4-fluoro aniline; CCG-35677; ZINC18010560; ZINC104275647; NSC-620277; NCI60_005984"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620277	.	.	.	.	320.4	C19H17FN4	63.2	464	2.8	24	0	5	7	"InChI=1S/C19H17FN4/c20-17-5-7-18(8-6-17)23-15-16-3-9-19(10-4-16)24(13-1-11-21)14-2-12-22/h3-10,15H,1-2,13-14H2"	C1=CC(=CC=C1C=NC2=CC=C(C=C2)F)N(CCC#N)CCC#N	QAHQLQIMBCMWSR-UHFFFAOYSA-N
DG52895	3-[N-(2-cyanoethyl)-4-[(4-methoxyphenyl)iminomethyl]anilino]propanenitrile	359415	MLS002701769; NSC620278; CHEMBL1895606; CHEMBL1965793; ZINC17187268; ZINC96900346; NSC-620278; NCI60_005985; SMR001565363	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620278	.	.	.	.	332.4	C20H20N4O	72.4	478	2.7	25	0	5	8	"InChI=1S/C20H20N4O/c1-25-20-10-6-18(7-11-20)23-16-17-4-8-19(9-5-17)24(14-2-12-21)15-3-13-22/h4-11,16H,2-3,14-15H2,1H3"	COC1=CC=C(C=C1)N=CC2=CC=C(C=C2)N(CCC#N)CCC#N	ZBUQTHHDOXDXHP-UHFFFAOYSA-N
DG52896	"6-nitro-1-phenyl-9H-pyrido[3,4-b]indole"	359450	NSC620315; CHEMBL2002273; ZINC12940192; NSC-620315; NCI60_005999	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620315	.	.	.	.	289.29	C17H11N3O2	74.5	419	3.8	22	1	3	1	"InChI=1S/C17H11N3O2/c21-20(22)12-6-7-15-14(10-12)13-8-9-18-16(17(13)19-15)11-4-2-1-3-5-11/h1-10,19H"	C1=CC=C(C=C1)C2=NC=CC3=C2NC4=C3C=C(C=C4)[N+](=O)[O-]	CSXDXDQRTCVJRZ-UHFFFAOYSA-N
DG52897	"9H-Pyrido[3,4-b]indol-6-amine, 1-phenyl-"	359452	"9H-Pyrido[3,4-b]indol-6-amine, 1-phenyl-; NSC620317; 127042-69-7; CHEMBL1983480; DTXSID90326887; ZINC12940181; NSC-620317; NCI60_006001"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620317	.	.	.	.	259.3	C17H13N3	54.7	339	3.3	20	2	2	1	"InChI=1S/C17H13N3/c18-12-6-7-15-14(10-12)13-8-9-19-16(17(13)20-15)11-4-2-1-3-5-11/h1-10,20H,18H2"	C1=CC=C(C=C1)C2=NC=CC3=C2NC4=C3C=C(C=C4)N	JPFQINVOSKUDHH-UHFFFAOYSA-N
DG52898	"4,6-Bis(methylsulfanyl)-1-(oxiran-2-ylmethyl)pyrazolo[3,4-d]pyrimidine"	359457	NSC620322; CHEMBL2001501; NSC-620322; NCI60_006006	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620322	.	.	.	.	268.4	C10H12N4OS2	107	283	1.5	17	0	6	4	"InChI=1S/C10H12N4OS2/c1-16-9-7-3-11-14(4-6-5-15-6)8(7)12-10(13-9)17-2/h3,6H,4-5H2,1-2H3"	CSC1=NC(=NC2=C1C=NN2CC3CO3)SC	ZPILZPGMOBJKFM-UHFFFAOYSA-N
DG52899	NSC620325	359460	"methyl (1R,7R,12R,16R)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carboxylate; NSC620325; CHEMBL1998645; NSC-620325; NCI60_006009; Spiro[cyclohexane-1,2':4,5]furo[2,3-d][1,3] dioxole]-4a'-carboxylic acid, 1',4',4a',5',7a',10a',10b',10c'-octahydro-1'[,4'-dioxo-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620325	.	.	.	.	374.4	C20H22O7	88.1	775	1.5	27	0	7	2	"InChI=1S/C20H22O7/c1-24-18(23)20-10-7-12-14(15(20)11(21)5-6-13(20)22)16-17(25-12)27-19(26-16)8-3-2-4-9-19/h5-7,14-17H,2-4,8-10H2,1H3/t14-,15 ,16-,17-,20+/m1/s1"	COC(=O)[C@]12CC=C3[C@H](C1C(=O)C=CC2=O)[C@@H]4[C@H](O3)OC5(O4)CCCCC5	HQZLAHBNJAJFOY-WJIWHZPCSA-N
DG52900	"Carbonimidodithioic acid,3,4-thiadiazol-2-yl]-, dimethyl ester"	359462	"NSC620327; CHEMBL1991983; ZINC1616081; AKOS016035037; NSC-620327; NCI60_006011; Carbonimidodithioic acid,3,4- thiadiazol-2-yl]-, dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620327	.	.	.	.	326.4	C11H10N4O2S3	163	363	3.7	20	0	8	4	"InChI=1S/C11H10N4O2S3/c1-18-11(19-2)12-10-14-13-9(20-10)7-3-5-8(6-4-7)15(16)17/h3-6H,1-2H3"	CSC(=NC1=NN=C(S1)C2=CC=C(C=C2)[N+](=O)[O-])SC	KTVGLBHWWUQRIR-UHFFFAOYSA-N
DG52901	"7-(4-Chlorophenyl)-3,10-dimethyl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene"	359465	NSC620330; CHEMBL1993530; ZINC1616083; NSC-620330; NCI60_006014	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620330	.	.	.	.	299.8	C17H18ClN3	19.4	382	3.8	21	0	3	1	"InChI=1S/C17H18ClN3/c1-20-9-7-13-15(11-3-5-12(18)6-4-11)19-17-14(16(13)20)8-10-21(17)2/h3-6H,7-10H2,1-2H3"	CN1CCC2=C1C3=C(N=C2C4=CC=C(C=C4)Cl)N(CC3)C	NYUDTRIWNVFCSS-UHFFFAOYSA-N
DG52902	"2-(6-amino-9H-purin-9-yl)-5-((4-chlorobenzylthio)methyl)tetrahydrofuran-3,4-diol"	359468	"NSC620333; CHEMBL1982430; NSC-620333; NCI60_006017; 2-(6-amino-9H-purin-9-yl)-5-((4-chlorobenzylthio)methyl)tetrahydrofuran-3,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620333	.	.	.	.	407.9	C17H18ClN5O3S	145	501	1.9	27	3	8	5	"InChI=1S/C17H18ClN5O3S/c18-10-3-1-9(2-4-10)5-27-6-11-13(24)14(25)17(26-11)23-8-22-12-15(19)20-7-21-16(12)23/h1-4,7-8,11,13-14,17,24-25H,5-6H2,(H2,19,20,21)"	C1=CC(=CC=C1CSCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)Cl	IJLUIMSYWGUZCP-UHFFFAOYSA-N
DG52903	Methyl 13-hydroxy-15-oxo-kaurenoate	359473	NSC620358; Methyl 13-hydroxy-15-oxo-kaurenoate; NCI60_006020	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620358	.	.	.	.	346.5	C21H30O4	63.6	669	3.3	25	1	4	2	"InChI=1S/C21H30O4/c1-13-16(22)20-10-6-14-18(2,15(20)7-11-21(13,24)12-20)8-5-9-19(14,3)17(23)25-4/h14-15,24H,1,5-12H2,2-4H3/t14-,15-,18 ,19 ,20 ,21 /m0/s1"	CC12CCCC([C@H]1CCC34[C@H]2CCC(C3)(C(=C)C4=O)O)(C)C(=O)OC	CAZYNLSCRWNLPJ-IXHWBTLXSA-N
DG52904	((2-Oxocyclohexyl)methyl)trimethylammonium iodide	359483	"((2-Oxocyclohexyl)methyl)trimethylammonium iodide; CHEMBL1975189; NIOSH/BR9826000; NSC620462; AKOS030518870; MCULE-3403602532; NSC-620462; 2-Dimethylaminocyclohexanone iodomethylate; BR98260000; Ammonium, ((2-oxocyclohexyl)methyl)trimethyl-, iodide; 71666-50-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620462	.	.	.	.	297.18	C10H20INO	17.1	169	.	13	0	2	2	"InChI=1S/C10H20NO.HI/c1-11(2,3)8-9-6-4-5-7-10(9)12;/h9H,4-8H2,1-3H3;1H/q+1;/p-1"	C[N+](C)(C)CC1CCCCC1=O.[I-]	PMMPFMDOKGDFLC-UHFFFAOYSA-M
DG52905	"3-Aza-A-homoandrost-4a-en-4-one, (17-beta)-"	359499	"NSC620480; NSC-620480; CHEMBL1990613; NCI60_006035; 3-Aza-A-homoandrost-4a-en-4-one, (17-.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620480	.	.	.	.	577.6	C31H42Cl2N2O4	67.9	916	6.5	39	1	5	10	"InChI=1S/C31H42Cl2N2O4/c1-30-13-16-34-28(36)19-21(30)3-8-24-25-9-10-27(31(25,2)12-11-26(24)30)39-29(37)20-38-23-6-4-22(5-7-23)35(17-14-32)18-15-33/h4-7,19,24-27H,3,8-18,20H2,1-2H3,(H,34,36)/t24-,25 ,26 ,27-,30-,31-/m0/s1"	C[C@]12CCC3[C@H](C1CC[C@@H]2OC(=O)COC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=CC(=O)NCC[C@]35C	DXVAGWWNINMAJN-KOMJKGKSSA-N
DG52906	NSC620487	359506	"3-[18-[3-(diethylamino)-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N,N-diethylpropanamide; NSC620487; CHEMBL1989612; NSC-620487; NCI60_006037"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620487	.	.	.	.	672.9	C42H52N6O2	98	1160	6	50	2	4	12	"InChI=1S/C42H52N6O2/c1-11-29-25(7)33-21-34-27(9)31(17-19-41(49)47(13-3)14-4)39(45-34)24-40-32(18-20-42(50)48(15-5)16-6)28(10)36(46-40)23-38-30(12-2)26(8)35(44-38)22-37(29)43-33/h11-12,21-24,43-44H,1-2,13-20H2,3-10H3"	CCN(CC)C(=O)CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=CC1=N2)C(=C5C)CCC(=O)N(CC)CC)N4)C=C)C)C=C)C)C	YJZALEOHGPXZIN-UHFFFAOYSA-N
DG52907	"1, 7-(Benzoyloxy)-5-methoxy-"	359531	"NSC620514; CHEMBL1989203; 1, 7-(benzoyloxy)-5-methoxy-; NSC-620514; NCI60_006059"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620514	.	.	.	.	308.3	C18H12O5	69.7	518	2.8	23	0	5	4	"InChI=1S/C18H12O5/c1-22-16-10-12(23-18(21)11-5-3-2-4-6-11)9-13-14(19)7-8-15(20)17(13)16/h2-10H,1H3"	COC1=CC(=CC2=C1C(=O)C=CC2=O)OC(=O)C3=CC=CC=C3	OCYIBZJWHOGRGO-UHFFFAOYSA-N
DG52908	"1, 2-Chloro-8-hydroxy-6-methoxy-7-methyl-"	359532	"NSC620515; CHEMBL2004486; NSC-620515; NCI60_006060; 1, 2-chloro-8-hydroxy-6-methoxy-7-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620515	.	.	.	.	252.65	C12H9ClO4	63.6	390	2.8	17	1	4	1	"InChI=1S/C12H9ClO4/c1-5-9(17-2)3-6-8(14)4-7(13)12(16)10(6)11(5)15/h3-4,15H,1-2H3"	CC1=C(C=C2C(=O)C=C(C(=O)C2=C1O)Cl)OC	WQOFPCAPVZPVEL-UHFFFAOYSA-N
DG52909	"Naphtho[2,9-dione, 7-chloro-1,2-dihydro-5-hydroxy-2-methoxy-2,4-dimethyl-"	359534	"NSC620517; CHEMBL2007462; NSC-620517; NCI60_006062; Naphtho[2,9-dione, 7-chloro-1,2-dihydro- 5-hydroxy-2-methoxy-2,4-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620517	.	.	.	.	308.71	C15H13ClO5	72.8	530	3.1	21	1	5	1	"InChI=1S/C15H13ClO5/c1-6-12(18)11-10(9(17)4-8(16)13(11)19)7-5-15(2,20-3)21-14(6)7/h4,18H,5H2,1-3H3"	CC1=C(C2=C(C3=C1OC(C3)(C)OC)C(=O)C=C(C2=O)Cl)O	HJXSUKIKUHSBNY-UHFFFAOYSA-N
DG52910	"1,4-Dioxaspiro[4.5]dec-7-ene-7-carboxaldehyde"	359537	"NSC620520; 1,4-Dioxaspiro[4.5]dec-7-ene-7-carboxaldehyde; 63517-54-4; CHEMBL1987500; DTXSID80326891; ZINC5566678; NSC-620520; NCI60_006065"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620520	.	.	.	.	168.19	C9H12O3	35.5	214	0.4	12	0	3	1	"InChI=1S/C9H12O3/c10-7-8-2-1-3-9(6-8)11-4-5-12-9/h2,7H,1,3-6H2"	C1CC2(CC(=C1)C=O)OCCO2	YJFXAKDYLWSIIN-UHFFFAOYSA-N
DG52911	"(5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one"	359577	NSC620569; NSC-620569; NCI60_006093	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620569	.	.	.	.	284.47	C15H28O3Si	35.5	359	.	19	0	3	3	"InChI=1S/C15H28O3Si/c1-10-7-13-11(9-14(16)17-13)8-12(10)18-19(5,6)15(2,3)4/h10-13H,7-9H2,1-6H3/t10 ,11 ,12-,13 /m0/s1"	CC1CC2C(C[C@@H]1O[Si](C)(C)C(C)(C)C)CC(=O)O2	UGFZWYXEABYLGG-ARAJFMJPSA-N
DG52912	(Triphenylphosphoranylidene)ketene	359581	"(Triphenylphosphoranylidene)ketene; 15596-07-3; Bestmann Ylide; Ethenone, 2-(triphenylphosphoranylidene)-; Ketenylidene(triphenyl)phosphorane; 2-(triphenyl-$l^{5}; ketenylidenetriphenylphosphorane; Triphenylphosphoranylidene ketene; NSC620573; SCHEMBL7435006; ketenylidene(triphenyl)phosphoran; CHEMBL1980626; 2-triphenylphosphoranylideneethenone; MFCD00040613; ZINC73242976; AKOS015840604; ACN-043639; NSC-620573; 73818-55-0; NCI60_006097; 1-(Triphenylphosphonio)-2-oxoethen-1-ide; FT-0657778; T2565; 2-(triphenyl-$l^{5}-phosphanylidene)ethenone; D92615; 2-(triphenyl-lambda5-phosphaneylidene)ethen-1-one; A809702; J-009263; PHOSPHONIUM, (2-OXOETHENYL)TRIPHENYL-,INNER SALT"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620573	.	.	.	.	302.3	C20H15OP	17.1	400	4.5	22	0	1	3	"InChI=1S/C20H15OP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H"	C1=CC=C(C=C1)P(=C=C=O)(C2=CC=CC=C2)C3=CC=CC=C3	MNASRBWCHRURHY-UHFFFAOYSA-N
DG52913	"1'-phenylspiro[1,3-dioxolane-2,8'-5,5a,6,7,9,9a,10,10a-octahydro-1H-[1,3]oxazolo[3,4-b]isoquinoline]-3'-one"	359586	NSC620580; NSC-620580; NCI60_006104	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620580	.	.	.	.	329.4	C19H23NO4	48	498	2.4	24	0	4	1	"InChI=1S/C19H23NO4/c21-18-20-12-14-6-7-19(22-8-9-23-19)11-15(14)10-16(20)17(24-18)13-4-2-1-3-5-13/h1-5,14-17H,6-12H2"	C1CC2(CC3C1CN4C(C3)C(OC4=O)C5=CC=CC=C5)OCCO2	BTLYMHHVIZBAMH-UHFFFAOYSA-N
DG52914	"(1'R,8'aS)-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine]-3'-one"	359587	NSC620581; CHEMBL1978407; NSC-620581; NCI60_006105	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620581	.	.	.	.	275.3	C15H17NO4	48	387	1.4	20	0	4	1	"InChI=1S/C15H17NO4/c17-14-16-7-6-15(18-8-9-19-15)10-12(16)13(20-14)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13+/m0/s1"	C1CN2[C@@H](CC13OCCO3)[C@H](OC2=O)C4=CC=CC=C4	ZLZCGLPVVZUZBB-QWHCGFSZSA-N
DG52915	"beta-D-Ribofuranosylamine, N-(8-methoxypyrimido[5,4-d]pyrimidin-4-yl)-"	359612	"118515-48-3; NSC620635; 2-(hydroxymethyl)-5-[(4-methoxypyrimido[5,4-d]pyrimidin-8-yl)amino]oxolane-3,4-diol; beta-D-Ribofuranosylamine, N-(8-methoxypyrimido[5,4-d]pyrimidin-4-yl)-; CHEMBL1967452; DTXSID80922695; NSC-620635; NCI60_006114; .beta.-D-Ribofuranosylamine,4-d]pyrimidin-4-yl)-; N-(8-Methoxypyrimido[5,4-d]pyrimidin-4-yl)pentofuranosylamine; .beta.-D-Ribofuranosylamine, N-(8-methoxypyrimido[5,4-d]pyrimidin-4-yl)-; 2-(hydroxymethyl)-5-[(4-methoxypyrimido[5,4-d]pyrimidin-8-yl)amino]tetrahydrofuran-3,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620635	.	.	.	.	309.28	C12H15N5O5	143	378	-1	22	4	10	4	"InChI=1S/C12H15N5O5/c1-21-11-7-6(13-4-16-11)10(15-3-14-7)17-12-9(20)8(19)5(2-18)22-12/h3-5,8-9,12,18-20H,2H2,1H3,(H,14,15,17)"	COC1=NC=NC2=C1N=CN=C2NC3C(C(C(O3)CO)O)O	GJKFEQPZRZBOJH-UHFFFAOYSA-N
DG52916	"[6-Methoxy-3,4-bis-(4-methylphenyl)sulfonyloxyoxan-2-yl]methyl 4-methylbenzenesulfonate"	359615	NSC620674; CHEMBL1981164; NSC-620674; NCI60_006116	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620674	.	.	.	.	640.7	C28H32O11S3	174	1160	4.5	42	0	11	11	"InChI=1S/C28H32O11S3/c1-19-5-11-22(12-6-19)40(29,30)36-18-26-28(39-42(33,34)24-15-9-21(3)10-16-24)25(17-27(35-4)37-26)38-41(31,32)23-13-7-20(2)8-14-23/h5-16,25-28H,17-18H2,1-4H3"	CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(CC(O2)OC)OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C	DPIMOPFFPRWPPV-UHFFFAOYSA-N
DG52917	"[6-Methoxy-2-methyl-4,5-bis-(4-methylphenyl)sulfonyloxyoxan-3-yl] 2,2-dimethylpropanoate"	359617	NSC620676; CHEMBL1971903; NSC-620676; NCI60_006118	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620676	.	.	.	.	570.7	C26H34O10S2	148	992	4.5	38	0	10	10	"InChI=1S/C26H34O10S2/c1-16-8-12-19(13-9-16)37(28,29)35-22-21(34-25(27)26(4,5)6)18(3)33-24(32-7)23(22)36-38(30,31)20-14-10-17(2)11-15-20/h8-15,18,21-24H,1-7H3"	CC1C(C(C(C(O1)OC)OS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C)OC(=O)C(C)(C)C	GPAUYJUWLVVJCB-UHFFFAOYSA-N
DG52918	"[3-Hydroxy-6-methoxy-4,5-bis-(4-methylphenyl)sulfonyloxyoxan-2-yl]methyl 4-methylbenzenesulfonate"	359619	NSC620678; CHEMBL1972978; NSC-620678; NCI60_006120	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620678	.	.	.	.	656.7	C28H32O12S3	194	1200	3.5	43	1	12	11	"InChI=1S/C28H32O12S3/c1-18-5-11-21(12-6-18)41(30,31)37-17-24-25(29)26(39-42(32,33)22-13-7-19(2)8-14-22)27(28(36-4)38-24)40-43(34,35)23-15-9-20(3)10-16-23/h5-16,24-29H,17H2,1-4H3"	CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(O2)OC)OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C)O	VBMPEXQCHMMMJD-UHFFFAOYSA-N
DG52919	"(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl 2,2-diphenylacetate"	359628	NSC620687; CHEMBL1978390; NSC-620687; NCI60_006129	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620687	.	.	.	.	454.5	C26H30O7	72.4	677	3.8	33	0	7	6	"InChI=1S/C26H30O7/c1-25(2)30-20-18(29-24-22(21(20)31-25)32-26(3,4)33-24)15-28-23(27)19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18-22,24H,15H2,1-4H3"	CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)COC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C	MOXSXHMCWBNCEC-UHFFFAOYSA-N
DG52920	[5-Bromo-2-(bromomethyl)-6-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate	359632	NSC620691; CHEMBL1989174; NSC-620691; NCI60_006133	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620691	.	.	.	.	578.3	C21H22Br2O7S	96.5	684	4.5	31	0	7	8	"InChI=1S/C21H22Br2O7S/c1-13-8-10-15(11-9-13)31(25,26)30-19-17(23)21(27-2)28-16(12-22)18(19)29-20(24)14-6-4-3-5-7-14/h3-11,16-19,21H,12H2,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(OC(C2Br)OC)CBr)OC(=O)C3=CC=CC=C3	XKZXMQKZUXHTCT-UHFFFAOYSA-N
DG52921	4-[[1-[3-(4-fluoroanilino)-3-oxopropanoyl]-5-oxo-3-phenyl-4H-pyrazol-4-yl]diazenyl]benzoic acid	359681	NSC621095; CHEMBL2001182; NSC-621095; NCI60_006142	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621095	.	.	.	.	487.4	C25H18FN5O5	141	903	4.4	36	2	9	7	"InChI=1S/C25H18FN5O5/c26-17-8-12-18(13-9-17)27-20(32)14-21(33)31-24(34)23(22(30-31)15-4-2-1-3-5-15)29-28-19-10-6-16(7-11-19)25(35)36/h1-13,23H,14H2,(H,27,32)(H,35,36)"	C1=CC=C(C=C1)C2=NN(C(=O)C2N=NC3=CC=C(C=C3)C(=O)O)C(=O)CC(=O)NC4=CC=C(C=C4)F	CTRQZCVKJVXKSW-UHFFFAOYSA-N
DG52922	"3'-(p-Chlorobenzoyl)spiro(indoline-3,2'-oxiran)-2-one"	359733	"NSC621179; CHEMBL1974438; NSC-621179; NCI60_006179; 3'-(p-Chlorobenzoyl)spiro(indoline-3,2'-oxiran)-2-one; Spiro[3H-indole-3, 3'- (4-chlorophenylcarbonyl)-1,2-dihydro-; 16120-50-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621179	.	.	.	.	299.71	C16H10ClNO3	58.7	474	2.4	21	1	3	2	"InChI=1S/C16H10ClNO3/c17-10-7-5-9(6-8-10)13(19)14-16(21-14)11-3-1-2-4-12(11)18-15(16)20/h1-8,14H,(H,18,20)"	C1=CC=C2C(=C1)C3(C(O3)C(=O)C4=CC=C(C=C4)Cl)C(=O)N2	JGPRLTQNSPLADH-UHFFFAOYSA-N
DG52923	"3'-Benzoylspiro[indoline-3,2'-oxirane]-2-one"	359738	"NSC621184; CHEMBL1992921; NSC-621184; NCI60_006184; 3'-Benzoylspiro[indoline-3,2'-oxirane]-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621184	.	.	.	.	265.26	C16H11NO3	58.7	443	1.8	20	1	3	2	"InChI=1S/C16H11NO3/c18-13(10-6-2-1-3-7-10)14-16(20-14)11-8-4-5-9-12(11)17-15(16)19/h1-9,14H,(H,17,19)"	C1=CC=C(C=C1)C(=O)C2C3(O2)C4=CC=CC=C4NC3=O	BOOIGQMUXQLUDZ-UHFFFAOYSA-N
DG52924	"4,6,7-Trichloro-1,2,3-benzodithiazol-1-ium;chloride"	359752	NSC621196; CHEMBL1967465; NSC-621196	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621196	.	.	.	.	293	C6HCl4NS2	69.4	182	.	13	0	3	0	InChI=1S/C6HCl3NS2.ClH/c7-2-1-3(8)5-6(4(2)9)11-12-10-5;/h1H;1H/q+1;/p-1	C1=C(C2=NS[S+]=C2C(=C1Cl)Cl)Cl.[Cl-]	GKEBSOJNJNZASR-UHFFFAOYSA-M
DG52925	Ethyl 3-(3-chloroanilino)-3-oxopropanimidate;hydrochloride	359754	NSC621197; CHEMBL1991298; NSC-621197	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621197	.	.	.	.	277.14	C11H14Cl2N2O2	62.2	258	.	17	3	3	5	"InChI=1S/C11H13ClN2O2.ClH/c1-2-16-10(13)7-11(15)14-9-5-3-4-8(12)6-9;/h3-6,13H,2,7H2,1H3,(H,14,15);1H"	CCOC(=N)CC(=O)NC1=CC(=CC=C1)Cl.Cl	XLFXAEPQUNZEPJ-UHFFFAOYSA-N
DG52926	"6-Bromo-1,2,3-benzodithiazol-1-ium;chloride"	359756	NSC621198; CHEMBL2007019; NSC-621198	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621198	.	.	.	.	268.6	C6H3BrClNS2	69.4	133	.	11	0	3	0	InChI=1S/C6H3BrNS2.ClH/c7-4-1-2-5-6(3-4)9-10-8-5;/h1-3H;1H/q+1;/p-1	C1=CC2=NS[S+]=C2C=C1Br.[Cl-]	WIXZWNQBGQTFBQ-UHFFFAOYSA-M
DG52927	"2-(2-Chloro-5-nitrophenyl)-4-naphthalen-1-yl-2,3-dihydro-1,5-benzothiazepine"	359758	NSC621199; CHEMBL1992847; NSC-621199; NCI60_006198	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621199	.	.	.	.	444.9	C25H17ClN2O2S	83.5	683	6.8	31	0	4	2	"InChI=1S/C25H17ClN2O2S/c26-21-13-12-17(28(29)30)14-20(21)25-15-23(27-22-10-3-4-11-24(22)31-25)19-9-5-7-16-6-1-2-8-18(16)19/h1-14,25H,15H2"	C1C(SC2=CC=CC=C2N=C1C3=CC=CC4=CC=CC=C43)C5=C(C=CC(=C5)[N+](=O)[O-])Cl	RFDIQYMVHMNYQP-UHFFFAOYSA-N
DG52928	"5,6-Dichloro-1,2,3-benzodithiazol-1-ium;chloride"	359774	NSC621343; CHEMBL1972054; NSC-621343	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621343	.	.	.	.	258.6	C6H2Cl3NS2	69.4	158	.	12	0	3	0	InChI=1S/C6H2Cl2NS2.ClH/c7-3-1-5-6(2-4(3)8)10-11-9-5;/h1-2H;1H/q+1;/p-1	C1=C(C(=CC2=[S+]SN=C21)Cl)Cl.[Cl-]	ISWVBLLPUQOVDY-UHFFFAOYSA-M
DG52929	"2-(2-Fluorophenyl)-4-(2-naphthyl)-2,3-dihydro-1,5-benzothiazepine"	359787	"NSC-621351; CHEMBL1288223; NSC621351; BDBM50332183; NCI60_006226; 2-(2-Fluorophenyl)-4-(2-naphthyl)-2,3-dihydro-1,5-benzothiazepine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621351	.	.	.	.	383.5	C25H18FNS	37.7	563	6.4	28	0	3	2	"InChI=1S/C25H18FNS/c26-21-10-4-3-9-20(21)25-16-23(27-22-11-5-6-12-24(22)28-25)19-14-13-17-7-1-2-8-18(17)15-19/h1-15,25H,16H2"	C1C(SC2=CC=CC=C2N=C1C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5F	WXTPJZLDXSZFPY-UHFFFAOYSA-N
DG52930	"2-(2-Chloro-5-nitrophenyl)-4-naphthalen-1-yl-2,3-dihydro-1lambda4,5-benzothiazepine 1-oxide"	359788	NSC621352; CHEMBL2002149; NSC-621352; NCI60_006227	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621352	.	.	.	.	460.9	C25H17ClN2O3S	94.5	756	5.5	32	0	5	2	"InChI=1S/C25H17ClN2O3S/c26-21-13-12-17(28(29)30)14-20(21)25-15-23(27-22-10-3-4-11-24(22)32(25)31)19-9-5-7-16-6-1-2-8-18(16)19/h1-14,25H,15H2"	C1C(S(=O)C2=CC=CC=C2N=C1C3=CC=CC4=CC=CC=C43)C5=C(C=CC(=C5)[N+](=O)[O-])Cl	YSEGBBFOGYVBHK-UHFFFAOYSA-N
DG52931	"Ethyl 3-(2,3-dimethylanilino)-3-oxopropanimidate;hydrochloride"	359789	NSC621353; CHEMBL2005589; NSC-621353	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621353	.	.	.	.	270.75	C13H19ClN2O2	62.2	279	.	18	3	3	5	"InChI=1S/C13H18N2O2.ClH/c1-4-17-12(14)8-13(16)15-11-7-5-6-9(2)10(11)3;/h5-7,14H,4,8H2,1-3H3,(H,15,16);1H"	CCOC(=N)CC(=O)NC1=CC=CC(=C1C)C.Cl	XWLLTNBSQVHMQY-UHFFFAOYSA-N
DG52932	"4-(2-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine"	359799	NSC621360; CHEMBL2007511; NSC-621360; NCI60_006234	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621360	.	.	.	.	394.9	C21H15ClN2O2S	83.5	559	5.5	27	0	4	2	"InChI=1S/C21H15ClN2O2S/c22-17-6-2-1-5-16(17)19-13-21(14-9-11-15(12-10-14)24(25)26)27-20-8-4-3-7-18(20)23-19/h1-12,21H,13H2"	C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3Cl)C4=CC=C(C=C4)[N+](=O)[O-]	BCKSPFQRKXHRMW-UHFFFAOYSA-N
DG52933	"6-Chloro-1,2,3-benzodithiazol-1-ium;chloride"	359816	NSC621376; SCHEMBL7300489; CHEMBL2007365; NSC-621376	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621376	.	.	.	.	224.1	C6H3Cl2NS2	69.4	133	.	11	0	3	0	InChI=1S/C6H3ClNS2.ClH/c7-4-1-2-5-6(3-4)9-10-8-5;/h1-3H;1H/q+1;/p-1	C1=CC2=NS[S+]=C2C=C1Cl.[Cl-]	FLLNQVZOFGKYEW-UHFFFAOYSA-M
DG52934	"2-(2-Amino-4-phenyl-4,5-dihydropyrimidin-6-yl)-6-bromo-4-chlorophenol"	359846	NSC621456; CHEMBL2005650; NSC-621456; NCI60_006276	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621456	.	.	.	.	378.6	C16H13BrClN3O	71	464	3.3	22	2	2	2	"InChI=1S/C16H13BrClN3O/c17-12-7-10(18)6-11(15(12)22)14-8-13(20-16(19)21-14)9-4-2-1-3-5-9/h1-7,13,22H,8H2,(H2,19,20)"	C1C(N=C(N=C1C2=C(C(=CC(=C2)Cl)Br)O)N)C3=CC=CC=C3	LHDPNKPECLCVAY-UHFFFAOYSA-N
DG52935	"Pyrimidine-2-amine, 5-chloro-6-(2-hydroxy-5-chlorophenyl)-4-phenyl-"	359847	"NSC621457; CHEMBL1999406; ZINC1616398; NSC-621457; NCI60_006277; Pyrimidine-2-amine, 5-chloro-6-(2-hydroxy-5-chlorophenyl)- 4-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621457	.	.	.	.	332.2	C16H11Cl2N3O	72	367	4.1	22	2	4	2	"InChI=1S/C16H11Cl2N3O/c17-10-6-7-12(22)11(8-10)15-13(18)14(20-16(19)21-15)9-4-2-1-3-5-9/h1-8,22H,(H2,19,20,21)"	C1=CC=C(C=C1)C2=C(C(=NC(=N2)N)C3=C(C=CC(=C3)Cl)O)Cl	ASVMCLHZCMJDDQ-UHFFFAOYSA-N
DG52936	8-Methoxy-3-prop-2-enylchromen-2-one	359919	NSC621631; CHEMBL1995015; NSC-621631; NCI60_006313	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621631	.	.	.	.	216.23	C13H12O3	35.5	319	3	16	0	3	3	"InChI=1S/C13H12O3/c1-3-5-10-8-9-6-4-7-11(15-2)12(9)16-13(10)14/h3-4,6-8H,1,5H2,2H3"	COC1=CC=CC2=C1OC(=O)C(=C2)CC=C	ODWJIUIFVONHIB-UHFFFAOYSA-N
DG52937	"2-(2,4-dibromophenoxy)-N-ethylacetamide"	360019	"2-(2,4-dibromophenoxy)-N-ethylacetamide; NSC621755; CHEMBL2003843; ZINC408511; AKOS002506609; MCULE-9148499897; NSC-621755; NCI60_006348"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621755	.	.	.	.	337.01	C10H11Br2NO2	38.3	214	3	15	1	2	4	"InChI=1S/C10H11Br2NO2/c1-2-13-10(14)6-15-9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3,(H,13,14)"	CCNC(=O)COC1=C(C=C(C=C1)Br)Br	AOWQNZIOCXXYKZ-UHFFFAOYSA-N
DG52938	"N-[2-[[2-(2,2-dimethylpropanoylamino)-6-methoxyphenyl]disulfanyl]-3-methoxyphenyl]-2,2-dimethylpropanamide"	360049	NSC621847; CHEMBL2000009; NSC-621847; NCI60_006353	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621847	.	.	.	.	476.7	C24H32N2O4S2	127	579	5.1	32	2	6	9	"InChI=1S/C24H32N2O4S2/c1-23(2,3)21(27)25-15-11-9-13-17(29-7)19(15)31-32-20-16(12-10-14-18(20)30-8)26-22(28)24(4,5)6/h9-14H,1-8H3,(H,25,27)(H,26,28)"	CC(C)(C)C(=O)NC1=C(C(=CC=C1)OC)SSC2=C(C=CC=C2OC)NC(=O)C(C)(C)C	FBUCGLIXSPIFJN-UHFFFAOYSA-N
DG52939	"2-(2,5-diphenyl-1H-pyrrol-3-yl)-2,5-diphenyl-1H-pyrrol-3-one"	360056	NSC621854; CHEMBL1968715; NSC-621854; NCI60_006360	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621854	.	.	.	.	452.5	C32H24N2O	44.9	752	7	35	2	2	5	"InChI=1S/C32H24N2O/c35-30-22-29(24-15-7-2-8-16-24)34-32(30,26-19-11-4-12-20-26)27-21-28(23-13-5-1-6-14-23)33-31(27)25-17-9-3-10-18-25/h1-22,33-34H"	C1=CC=C(C=C1)C2=CC(=C(N2)C3=CC=CC=C3)C4(C(=O)C=C(N4)C5=CC=CC=C5)C6=CC=CC=C6	QWZZHEPIMXFLLA-UHFFFAOYSA-N
DG52940	"2,2'-Diphenyl-2,3'-bi[1H-indole]-3(2H)-one"	360057	"NSC621855; CHEMBL1992370; NSC-621855; NCI60_006361; 2,2'-Diphenyl-2,3'-bi[1H-indole]-3(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621855	.	.	.	.	400.5	C28H20N2O	44.9	651	6.5	31	2	2	3	"InChI=1S/C28H20N2O/c31-27-22-16-8-10-18-24(22)30-28(27,20-13-5-2-6-14-20)25-21-15-7-9-17-23(21)29-26(25)19-11-3-1-4-12-19/h1-18,29-30H"	C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C4(C(=O)C5=CC=CC=C5N4)C6=CC=CC=C6	FGKFEGYYEYHMQQ-UHFFFAOYSA-N
DG52941	"1,2,9,9a-Tetrahydro-9-acetyl-9a-methoxy-3H-carbazole-3-one"	360066	"NSC621864; CHEMBL1967773; SCHEMBL21379759; NSC-621864; NCI60_006370; 1,2,9,9a-Tetrahydro-9-acetyl-9a-methoxy-3H-carbazole-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621864	.	.	.	.	257.279	C15H15NO3	46.6	456	0.5	19	0	3	1	"InChI=1S/C15H15NO3/c1-10(17)16-14-6-4-3-5-12(14)13-9-11(18)7-8-15(13,16)19-2/h3-6,9H,7-8H2,1-2H3"	CC(=O)N1C2=CC=CC=C2C3=CC(=O)CCC31OC	SNXLVUUTGRMUJK-UHFFFAOYSA-N
DG52942	"4-Oxo-6,7-dimethyl-2-(4-methoxyphenyl)-4H-1-benzopyran-8-carboxylic acid"	360068	"NSC621866; CHEMBL1987079; SCHEMBL19410864; ZINC1616587; NSC-621866; NCI60_006372; 4-Oxo-6,7-dimethyl-2-(4-methoxyphenyl)-4H-1-benzopyran-8-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621866	.	.	.	.	324.3	C19H16O5	72.8	532	3.4	24	1	5	3	"InChI=1S/C19H16O5/c1-10-8-14-15(20)9-16(12-4-6-13(23-3)7-5-12)24-18(14)17(11(10)2)19(21)22/h4-9H,1-3H3,(H,21,22)"	CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=C(C=C3)OC	GMXSJYMZSFKIPF-UHFFFAOYSA-N
DG52943	"2,3-dimethyl-9-oxo-10H-acridine-4-carboxylic acid"	360069	NSC621867; CHEMBL1980975; ZINC5503967; NSC-621867; NCI60_006373	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621867	.	.	.	.	267.28	C16H13NO3	66.4	422	3.2	20	2	4	1	"InChI=1S/C16H13NO3/c1-8-7-11-14(13(9(8)2)16(19)20)17-12-6-4-3-5-10(12)15(11)18/h3-7H,1-2H3,(H,17,18)(H,19,20)"	CC1=CC2=C(C(=C1C)C(=O)O)NC3=CC=CC=C3C2=O	DPTMTHVWLUALQO-UHFFFAOYSA-N
DG52944	"3,5,6-trimethyl-2H-indazole-7-carboxylic acid"	360070	NSC621868; CHEMBL2002045; SCHEMBL21379801; ZINC8652828; NSC-621868; NCI60_006374	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621868	.	.	.	.	204.22	C11H12N2O2	66	269	2.2	15	2	3	1	"InChI=1S/C11H12N2O2/c1-5-4-8-7(3)12-13-10(8)9(6(5)2)11(14)15/h4H,1-3H3,(H,12,13)(H,14,15)"	CC1=CC2=C(NN=C2C(=C1C)C(=O)O)C	LDVTWCHYRKMRQT-UHFFFAOYSA-N
DG52945	2-[(Dimethylamino)methyl]cyclopentan-1-one hydrochloride	360084	42746-87-2; 2-[(dimethylamino)methyl]cyclopentan-1-one hydrochloride; 2-((Dimethylamino)methyl)cyclopentanone hydrochloride; 2-[(Dimethylamino)methyl]cyclopentanone hydrochloride; 2-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride; NSC621888; CHEMBL1999353; MFCD00225117; AKOS024322539; MCULE-5987666640; NSC-621888; BS-37923; CS-0264859; 2-dimethylaminomethyl-cyclopentanone hydrochloride; Z1272096659	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621888	.	.	.	.	177.67	C8H16ClNO	20.3	131	.	11	1	2	2	"InChI=1S/C8H15NO.ClH/c1-9(2)6-7-4-3-5-8(7)10;/h7H,3-6H2,1-2H3;1H"	CN(C)CC1CCCC1=O.Cl	UYEYOIARTNJQBB-UHFFFAOYSA-N
DG52946	Trimethyl-[(2-oxocyclopentyl)methyl]azanium;iodide	360085	"NSC621889; MLS002701778; 93226-89-2; CHEMBL1989078; DTXSID50326924; NSC-621889; SMR001565372; Cyclopentanemethanaminium,N,N-trimethyl-2-oxo-, iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621889	.	.	.	.	283.15	C9H18INO	17.1	157	.	12	0	2	2	"InChI=1S/C9H18NO.HI/c1-10(2,3)7-8-5-4-6-9(8)11;/h8H,4-7H2,1-3H3;1H/q+1;/p-1"	C[N+](C)(C)CC1CCCC1=O.[I-]	XGYPQXHXWPLYIF-UHFFFAOYSA-M
DG52947	"5-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine"	360113	NSC621967; CHEMBL1978492; NSC-621967; NCI60_006403	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621967	.	.	.	.	378.5	C21H22N4OS	86.8	514	5.3	27	2	6	5	"InChI=1S/C21H22N4OS/c1-13-4-8-16(9-5-13)23-21-22-14(2)20(27-21)19-12-18(24-25-19)15-6-10-17(26-3)11-7-15/h4-11,18,24H,12H2,1-3H3,(H,22,23)"	CC1=CC=C(C=C1)NC2=NC(=C(S2)C3=NNC(C3)C4=CC=C(C=C4)OC)C	MMEVDWJRTLDSAD-UHFFFAOYSA-N
DG52948	NSC621968	360114	"Methyl 10-acetyl-3-(4-methylphenyl)sulfonyl-9-(2-methylprop-1-enyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaene-11-carboxylate; NSC621968; CHEMBL1995631; NSC-621968; NCI60_006404"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621968	.	.	.	.	478.6	C26H26N2O5S	94.1	970	4.8	34	0	5	5	"InChI=1S/C26H26N2O5S/c1-16(2)13-23-21-7-6-8-22-25(21)19(14-24(26(30)33-5)28(23)18(4)29)15-27(22)34(31,32)20-11-9-17(3)10-12-20/h6-15,23H,1-5H3"	CC1=CC=C(C=C1)S(=O)(=O)N2C=C3C=C(N(C(C4=C3C2=CC=C4)C=C(C)C)C(=O)C)C(=O)OC	FUHVOEYHNHOQIJ-UHFFFAOYSA-N
DG52949	"methyl (2S,3R)-3-(acetyloxymethyl)-5-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate"	360160	NSC-622093; NSC622093; CHEMBL1974198; NCI60_006434	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622093	.	.	.	.	486.5	C25H26O10	108	783	2.9	35	0	10	10	"InChI=1S/C25H26O10/c1-13(26)32-11-16-21(25(27)31-5)23(14-6-7-17-18(8-14)34-12-33-17)35-22(16)15-9-19(28-2)24(30-4)20(10-15)29-3/h6-10,16,22H,11-12H2,1-5H3/t16-,22+/m0/s1"	CC(=O)OC[C@@H]1[C@H](OC(=C1C(=O)OC)C2=CC3=C(C=C2)OCO3)C4=CC(=C(C(=C4)OC)OC)OC	IZLCLGTZWMSOLZ-KSFYIVLOSA-N
DG52950	"1,2,4-Trithiolane 4-oxide"	360183	"1,2,4-trithiolane 4-oxide; NSC622154; 4-Oxo-1,4-trithiolane; 1,2,4-trithiolane-4-oxide; CHEMBL1974557; NSC-622154; NCI60_006447"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622154	.	.	.	.	140.3	C2H4OS3	86.9	63.2	-0.1	6	0	4	0	InChI=1S/C2H4OS3/c3-6-1-4-5-2-6/h1-2H2	C1SSCS1=O	KZEBDBHBXISRMG-UHFFFAOYSA-N
DG52951	"8,15-Diisocyano-11(20)-amphilectene"	360184	"NSC622155; NSC-622155; 8,15-Diisocyano-11(20)-amphilectene; NCI60_006448"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622155	.	.	.	.	324.5	C22H32N2	8.7	627	4.7	24	0	2	2	"InChI=1S/C22H32N2/c1-14-10-11-22(24-7)16(3)8-9-18-15(2)12-17(19(14)20(18)22)13-21(4,5)23-6/h15-20H,1,8-13H2,2-5H3/t15 ,16 ,17-,18 ,19 ,20+,22 /m1/s1"	CC1CCC2[C@@H]3C1(CCC(=C)C3[C@H](CC2C)CC(C)(C)[N+]#[C-])[N+]#[C-]	JZQFIFOTCYCVEG-MAMNATSISA-N
DG52952	NSC622170	360197	"N-[[(2S,4R)-2,3-bis(2-amino-1H-imidazol-5-yl)-4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutyl]methyl]-4-bromo-1H-pyrrole-2-carboxamide;hydrochloride; NSC622170; NSC-622170"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622170	.	.	.	.	656.8	C22H25Br2ClN10O2	199	747	.	37	9	6	8	"InChI=1S/C22H24Br2N10O2.ClH/c23-9-1-13(27-3-9)19(35)29-5-11-12(6-30-20(36)14-2-10(24)4-28-14)18(16-8-32-22(26)34-16)17(11)15-7-31-21(25)33-15;/h1-4,7-8,11-12,17-18,27-28H,5-6H2,(H,29,35)(H,30,36)(H3,25,31,33)(H3,26,32,34);1H/t11-,12 ,17 ,18-;/m1./s1"	C1=C(NC=C1Br)C(=O)NC[C@@H]2C([C@@H](C2C3=CN=C(N3)N)C4=CN=C(N4)N)CNC(=O)C5=CC(=CN5)Br.Cl	HOHLZEDCMZEBPO-SZENRMOTSA-N
DG52953	"4H-1-Benzothiopyran-4-one, 2-(methylsulfinyl)-"	360259	"2-methylsulfinylthiochromen-4-one; 4H-1-Benzothiopyran-4-one, 2-(methylsulfinyl)-; 112519-51-4; NSC622281; CHEMBL1964406; DTXSID50326929; NSC-622281; NCI60_006476; 4H-1-Benzothiopyran-4-one,2-(methylsulfinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622281	.	.	.	.	224.3	C10H8O2S2	78.6	309	1.4	14	0	4	1	"InChI=1S/C10H8O2S2/c1-14(12)10-6-8(11)7-4-2-3-5-9(7)13-10/h2-6H,1H3"	CS(=O)C1=CC(=O)C2=CC=CC=C2S1	KVLAIBRBZGWARL-UHFFFAOYSA-N
DG52954	"4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-"	360260	"4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-; 112519-52-5; NSC622282; CHEMBL1968667; DTXSID60326930; ZINC1616762; NSC-622282; NCI60_006477"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622282	.	.	.	.	240.3	C10H8O3S2	84.9	403	1.5	15	0	4	1	"InChI=1S/C10H8O3S2/c1-15(12,13)10-6-8(11)7-4-2-3-5-9(7)14-10/h2-6H,1H3"	CS(=O)(=O)C1=CC(=O)C2=CC=CC=C2S1	OOJMVHRMWQYPHX-UHFFFAOYSA-N
DG52955	"9,10-Bis[(1-ethyl-3-piperidinylamino)methyl]anthracene"	360269	"NSC622294; CHEMBL27340; SCHEMBL16415900; NSC-622294; NCI60_006479; 9,10-Bis[(1-ethyl-3-piperidinylamino)methyl]anthracene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622294	.	.	.	.	458.7	C30H42N4	30.5	535	5.1	34	2	4	8	"InChI=1S/C30H42N4/c1-3-33-17-9-11-23(21-33)31-19-29-25-13-5-7-15-27(25)30(28-16-8-6-14-26(28)29)20-32-24-12-10-18-34(4-2)22-24/h5-8,13-16,23-24,31-32H,3-4,9-12,17-22H2,1-2H3"	CCN1CCCC(C1)NCC2=C3C=CC=CC3=C(C4=CC=CC=C42)CNC5CCCN(C5)CC	MNKRQQBDUQTENM-UHFFFAOYSA-N
DG52956	Ethyl 2-(naphthalen-2-ylmethyl)-7-oxoazepane-2-carboxylate	360274	NSC622299; CHEMBL1978071; NSC-622299; NCI60_006484	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622299	.	.	.	.	325.4	C20H23NO3	55.4	464	3.7	24	1	3	5	"InChI=1S/C20H23NO3/c1-2-24-19(23)20(12-6-5-9-18(22)21-20)14-15-10-11-16-7-3-4-8-17(16)13-15/h3-4,7-8,10-11,13H,2,5-6,9,12,14H2,1H3,(H,21,22)"	CCOC(=O)C1(CCCCC(=O)N1)CC2=CC3=CC=CC=C3C=C2	WLPSALUOTNBGDB-UHFFFAOYSA-N
DG52957	Ethyl 2-(naphthalen-2-ylmethyl)azepane-2-carboxylate	360275	NSC622300; CHEMBL1970010; NSC-622300; NCI60_006485	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622300	.	.	.	.	311.4	C20H25NO2	38.3	397	4.3	23	1	3	5	"InChI=1S/C20H25NO2/c1-2-23-19(22)20(12-6-3-7-13-21-20)15-16-10-11-17-8-4-5-9-18(17)14-16/h4-5,8-11,14,21H,2-3,6-7,12-13,15H2,1H3"	CCOC(=O)C1(CCCCCN1)CC2=CC3=CC=CC=C3C=C2	ZSNNZUVBGIQDQB-UHFFFAOYSA-N
DG52958	"Ethyl 2,2-bis(naphthalen-2-ylmethyl)-3-oxobutanoate"	360280	NSC622304; CHEMBL1982860; NSC-622304; NCI60_006488	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622304	.	.	.	.	410.5	C28H26O3	43.4	590	6.6	31	0	3	8	"InChI=1S/C28H26O3/c1-3-31-27(30)28(20(2)29,18-21-12-14-23-8-4-6-10-25(23)16-21)19-22-13-15-24-9-5-7-11-26(24)17-22/h4-17H,3,18-19H2,1-2H3"	CCOC(=O)C(CC1=CC2=CC=CC=C2C=C1)(CC3=CC4=CC=CC=C4C=C3)C(=O)C	FELZNIBPNQPTJT-UHFFFAOYSA-N
DG52959	"3-Cyano-N-(2,6-dichlorophenyl)-2-oxo-3-phenylpropanamide"	360292	"NSC622327; CHEMBL1996437; 3-Cyano-N-(2,6-dichlorophenyl)-2-oxo-3-phenylpropanamide; NSC-622327; NCI60_006499; 3-cyano-N-(2,6-dichlorophenyl)-2-oxo-3-phenyl-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622327	.	.	.	.	333.2	C16H10Cl2N2O2	70	458	3.8	22	1	3	4	"InChI=1S/C16H10Cl2N2O2/c17-12-7-4-8-13(18)14(12)20-16(22)15(21)11(9-19)10-5-2-1-3-6-10/h1-8,11H,(H,20,22)"	C1=CC=C(C=C1)C(C#N)C(=O)C(=O)NC2=C(C=CC=C2Cl)Cl	VQBQSLBZEBNTBU-UHFFFAOYSA-N
DG52960	"3,4-Dichloro-1-(3-methylphenyl)-1H-pyrrole-2,5-dione"	360306	"NSC622341; 3,4-Dichloro-1-(3-methylphenyl)-1H-pyrrole-2,5-dione; 103987-75-3; CHEMBL1967106; ZINC1616801; NSC-622341; NCI60_006511; 3,4-dichloro-1-(m-tolyl)pyrrole-2,5-dione; MLS-0111863.0001"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622341	.	.	.	.	256.079	C11H7Cl2NO2	37.4	354	3.1	16	0	2	1	"InChI=1S/C11H7Cl2NO2/c1-6-3-2-4-7(5-6)14-10(15)8(12)9(13)11(14)16/h2-5H,1H3"	CC1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)Cl	RFPPQWGQWPTLDJ-UHFFFAOYSA-N
DG52961	"Ethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate"	360308	"Ethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate; 7625-01-6; ethyl 3-methyl-4H-benzo[b][1,4]thiazine-2-carboxylate; NSC622343; UNII-PQ637VI0V3; PQ637VI0V3; Maybridge1_006434; CBMicro_028856; MLS000769492; ethyl 3-methyl-4H-benzo[e]1,4-thiazine-2-carboxylate; CHEMBL1448961; CHEMBL1974344; HMS559M10; DTXSID20227116; 3-Methyl-4H-benzo[1,4]thiazine-2-carboxylic acid ethyl ester; HMS2776P16; ZINC228917; CCG-54682; MFCD00173950; STK071366; AKOS000271393; 7H-574S; MCULE-4562267237; NSC 622343; NSC-622343; NCGC00246495-01; NCI60_006513; SMR000434205; BIM-0028901.P001; DB-056041; 2-carbethoxy-3-methyl-4h-1,4-benzothiazine; CS-0298846; FT-0636538; SR-01000035962; SR-01000035962-1; SR-01000035962-2; Z56855755; F0919-4729; ETHYL3-METHYL-4H-1,4-BENZOTHIAZINE-2-CARBOXYLATE; 3-Methyl-4H-1,4-benzothiazine-2-carboxylic acid ethyl ester; 4H-1,4-Benzothiazine-2-carboxylicacid,3-methyl-,ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622343	.	.	.	.	235.3	C12H13NO2S	63.6	314	3	16	1	4	3	"InChI=1S/C12H13NO2S/c1-3-15-12(14)11-8(2)13-9-6-4-5-7-10(9)16-11/h4-7,13H,3H2,1-2H3"	CCOC(=O)C1=C(NC2=CC=CC=C2S1)C	NCZIRXVLKKERGP-UHFFFAOYSA-N
DG52962	Dubamine	360322	"Dubamine; 2-(1,3-benzodioxol-5-yl)quinoline; 6808-65-7; Oprea1_457594; MLS001048989; CHEBI:4721; C10661; 2-(2H-1,3-benzodioxol-5-yl)quinoline; SMR000387040; AC1L7GFL; SureCN7004578; Oprea1_595881; CHEMBL502774; cid_360322; SCHEMBL7004578; BDBM49935; DTXSID40326933; HMS2269H21; ZINC314331; NSC622369; STL566006; AKOS005081477; MCULE-4127312019; NSC-622369; 2-(3',4'-Methylenedioxyphenyl)quinoline; NCI60_006531; 2-(benzo[d][1,3]dioxol-5-yl)quinoline; 12T-0802; Q27106450"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622369	.	.	.	.	249.26	C16H11NO2	31.4	322	3.7	19	0	3	1	"InChI=1S/C16H11NO2/c1-2-4-13-11(3-1)5-7-14(17-13)12-6-8-15-16(9-12)19-10-18-15/h1-9H,10H2"	C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C=C3	VQHLFUQPZRTKIV-UHFFFAOYSA-N
DG52963	"1H-Pyrrole-2,5-dione, 3,4-dichloro-1-(4-methylphenyl)-"	360325	"NSC622373; 29244-55-1; 3,4-Dichloro-1-(4-methylphenyl)-1H-pyrrole-2,5-dione; 2,3-dichloro-N-(4-methylphenyl)maleimide; 1H-Pyrrole-2,5-dione, 3,4-dichloro-1-(4-methylphenyl)-; Maleimide, 2,3-dichloro-N-p-tolyl-; 3,4-dichloro-1-(p-tolyl)-1H-pyrrole-2,5-dione; CHEMBL2007007; ZINC98252; 2,3-dichloro-N-p-tolylmaleimide; 3,4-Dichloro-N,p-tolylmaleimide; DTXSID00326934; N-(4-Methylphenyl)dichloromaleimide; ZB0703; AKOS001642170; MCULE-1141209790; NSC-622373; NCI60_006533; N-(4-Methylphenyl)-2,3-dichloromaleimide; EU-0074449; 3,4-dichloro-1-(p-tolyl)pyrrole-2,5-dione; MLS-0111868.0001; SR-01000081786; SR-01000081786-1; 3,4-Dichloro-1-(4-methylphenyl)-1H-pyrrole-2,5-dione #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622373	.	.	.	.	256.079	C11H7Cl2NO2	37.4	346	3.1	16	0	2	1	"InChI=1S/C11H7Cl2NO2/c1-6-2-4-7(5-3-6)14-10(15)8(12)9(13)11(14)16/h2-5H,1H3"	CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)Cl	BMIYQLIZIPDXAS-UHFFFAOYSA-N
DG52964	"14-Methyl-13,15-dioxahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-3(12),4,6,8,10,16(25),17,19,21,23-decaene"	360350	NSC622400; CHEMBL1978340; NSC-622400; NCI60_006552	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622400	.	.	.	.	352.4	C25H20O2	18.5	515	6.7	27	0	2	0	"InChI=1S/C25H20O2/c1-25-18(14-21-19-8-4-2-6-16(19)10-12-23(21)26-25)15-22-20-9-5-3-7-17(20)11-13-24(22)27-25/h2-13,18H,14-15H2,1H3"	CC12C(CC3=C(O1)C=CC4=CC=CC=C34)CC5=C(O2)C=CC6=CC=CC=C56	BXZCDVKPNGPGTC-UHFFFAOYSA-N
DG52965	"4,5-dihydro-1H-[1]benzoxepino[5,4-c]pyrazole"	360365	NSC622426; CHEMBL1967127; NSC-622426; NCI60_006565	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622426	.	.	.	.	186.21	C11H10N2O	37.9	210	1.9	14	1	2	0	"InChI=1S/C11H10N2O/c1-2-4-10-9(3-1)11-8(5-6-14-10)7-12-13-11/h1-4,7H,5-6H2,(H,12,13)"	C1COC2=CC=CC=C2C3=C1C=NN3	QECJKEMWJRWQBL-UHFFFAOYSA-N
DG52966	"8-methoxy-4,5-dihydro-1H-[1]benzoxepino[5,4-c]pyrazole"	360366	NSC622427; CHEMBL1966915; NSC-622427; NCI60_006566	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622427	.	.	.	.	216.24	C12H12N2O2	47.1	249	1.9	16	1	3	1	"InChI=1S/C12H12N2O2/c1-15-9-2-3-10-11(6-9)16-5-4-8-7-13-14-12(8)10/h2-3,6-7H,4-5H2,1H3,(H,13,14)"	COC1=CC2=C(C=C1)C3=C(CCO2)C=NN3	WTVOBXVQFNJCFK-UHFFFAOYSA-N
DG52967	"12-Methoxy-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene"	360368	NSC622429; CHEMBL1965047; NSC-622429; NCI60_006568	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622429	.	.	.	.	214.26	C13H14N2O	37.9	246	2.7	16	1	2	1	"InChI=1S/C13H14N2O/c1-16-11-5-6-12-9(7-11)3-2-4-10-8-14-15-13(10)12/h5-8H,2-4H2,1H3,(H,14,15)"	COC1=CC2=C(C=C1)C3=C(CCC2)C=NN3	PBANTNIGHLWVJO-UHFFFAOYSA-N
DG52968	NSC622453	360388	"1-Methyl-4-(13-sulfanylidene-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)piperazine; NSC622453; CHEMBL1972027; NSC-622453; NCI60_006578"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622453	.	.	.	.	446.5	C25H23N2O2PS	57	655	7.1	31	0	5	1	"InChI=1S/C25H23N2O2PS/c1-26-14-16-27(17-15-26)30(31)28-22-12-10-18-6-2-4-8-20(18)24(22)25-21-9-5-3-7-19(21)11-13-23(25)29-30/h2-13H,14-17H2,1H3"	CN1CCN(CC1)P2(=S)OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65	DCUIILHJCGVRLW-UHFFFAOYSA-N
DG52969	"2-(4-methylphenyl)-3-pyrrolidin-1-yl-3-sulfanylidene-1H-benzo[f][1,3,2]benzoxazaphosphinine"	360391	NSC622456; CHEMBL1980067; NSC-622456; NCI60_006581	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622456	.	.	.	.	394.5	C22H23N2OPS	47.8	573	6.9	27	0	4	2	"InChI=1S/C22H23N2OPS/c1-17-8-11-19(12-9-17)24-16-21-20-7-3-2-6-18(20)10-13-22(21)25-26(24,27)23-14-4-5-15-23/h2-3,6-13H,4-5,14-16H2,1H3"	CC1=CC=C(C=C1)N2CC3=C(C=CC4=CC=CC=C34)OP2(=S)N5CCCC5	JZQGJDKCUXLIMV-UHFFFAOYSA-N
DG52970	"3-(4-chloro-3-methylphenoxy)-2-(4-methylphenyl)-1H-benzo[f][1,3,2]benzoxazaphosphinine 3-oxide"	360393	NSC622458; CHEMBL2006956; NSC-622458; NCI60_006583	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622458	.	.	.	.	449.9	C25H21ClNO3P	38.8	669	7.3	31	0	4	3	"InChI=1S/C25H21ClNO3P/c1-17-7-10-20(11-8-17)27-16-23-22-6-4-3-5-19(22)9-14-25(23)30-31(27,28)29-21-12-13-24(26)18(2)15-21/h3-15H,16H2,1-2H3"	CC1=CC=C(C=C1)N2CC3=C(C=CC4=CC=CC=C34)OP2(=O)OC5=CC(=C(C=C5)Cl)C	QBNYOUPJZHTFNB-UHFFFAOYSA-N
DG52971	"8-(2,2'-Spirobi[benzo[f][1,3,2]benzodioxaphosphole]-2-yloxy)quinoline"	360394	NSC622459; CHEMBL1965428; NSC-622459; NCI60_006584	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622459	.	.	.	.	491.4	C29H18NO5P	59	743	8.2	36	0	6	2	"InChI=1S/C29H18NO5P/c1-2-8-21-16-26-25(15-20(21)7-1)32-36(33-26,31-24-13-5-11-19-12-6-14-30-29(19)24)34-27-17-22-9-3-4-10-23(22)18-28(27)35-36/h1-18H"	C1=CC=C2C=C3C(=CC2=C1)OP4(O3)(OC5=CC6=CC=CC=C6C=C5O4)OC7=CC=CC8=C7N=CC=C8	QVIYELPIOQWJHD-UHFFFAOYSA-N
DG52972	"8-[(5,5'-Ditert-butyl-2,2'-spirobi[1,3,2lambda5-benzodioxaphosphole]-2-yl)oxy]quinoline"	360395	NSC622460; CHEMBL1988115; NSC-622460; NCI60_006585	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622460	.	.	.	.	503.5	C29H30NO5P	59	776	9	36	0	6	4	"InChI=1S/C29H30NO5P/c1-28(2,3)20-12-14-22-25(17-20)34-36(31-22,33-24-11-7-9-19-10-8-16-30-27(19)24)32-23-15-13-21(29(4,5)6)18-26(23)35-36/h7-18H,1-6H3"	CC(C)(C)C1=CC2=C(C=C1)OP3(O2)(OC4=C(O3)C=C(C=C4)C(C)(C)C)OC5=CC=CC6=C5N=CC=C6	HISIPEQWHKYQMS-UHFFFAOYSA-N
DG52973	"2-(2,4-Dichlorophenoxy)benzo[f][1,3,2]benzodioxaphosphole 2-oxide"	360397	NSC622462; CHEMBL2002381; NSC-622462; NCI60_006587	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622462	.	.	.	.	367.1	C16H9Cl2O4P	44.8	465	5.5	23	0	4	2	InChI=1S/C16H9Cl2O4P/c17-12-5-6-14(13(18)9-12)20-23(19)21-15-7-10-3-1-2-4-11(10)8-16(15)22-23/h1-9H	C1=CC=C2C=C3C(=CC2=C1)OP(=O)(O3)OC4=C(C=C(C=C4)Cl)Cl	VBRVCONQQWHIKQ-UHFFFAOYSA-N
DG52974	"11-Methyl-2-nitronaphtho[2,3-e][1]benzofuran"	360398	NSC622463; CHEMBL1969641; NSC-622463; NCI60_006588	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622463	.	.	.	.	277.27	C17H11NO3	59	421	5.4	21	0	3	0	"InChI=1S/C17H11NO3/c1-10-13-5-3-2-4-11(13)8-12-6-7-15-14(17(10)12)9-16(21-15)18(19)20/h2-9H,1H3"	CC1=C2C(=CC3=CC=CC=C13)C=CC4=C2C=C(O4)[N+](=O)[O-]	GHUHGLBIWSDWGG-UHFFFAOYSA-N
DG52975	"(7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl) butyl carbonate"	360414	"NSC622488; 3-Butoxycarbonyl-3-demethyl thiocolchicine; NSC-622488; 3-butoxycarbonyl-3demethylthiocolchicine; (7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl) butyl carbonate; NCI60_006594; 3-BUTOXYCARBONYL-3-DEMETHYLTHIOCOLCHICINE; 7-(Acetylamino)-1,2-dimethoxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-3-yl butyl carbonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622488	.	.	.	.	501.6	C26H31NO7S	126	896	3.2	35	1	8	10	"InChI=1S/C26H31NO7S/c1-6-7-12-33-26(30)34-21-13-16-8-10-19(27-15(2)28)18-14-20(29)22(35-5)11-9-17(18)23(16)25(32-4)24(21)31-3/h9,11,13-14,19H,6-8,10,12H2,1-5H3,(H,27,28)"	CCCCOC(=O)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C)OC)OC	JGOVLRQGXGSQIM-UHFFFAOYSA-N
DG52976	NSC622492	360417	"methyl 2-[(1S,5S,7S,8R,16S)-5,11-diacetyloxy-13-(furan-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate; NSC622492; NSC-622492; NCI60_006596"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622492	.	.	.	.	604.6	C31H40O12	168	1210	1.9	43	2	12	8	"InChI=1S/C31H40O12/c1-14-18-11-21(41-16(3)33)30(7)25(17-9-10-39-13-17)42-27(37)24(35)31(14,30)43-20-12-19(40-15(2)32)28(4,5)23(29(18,20)6)22(34)26(36)38-8/h9-10,13,18-25,34-35H,1,11-12H2,2-8H3/t18 ,19-,20 ,21 ,22 ,23-,24+,25 ,29-,30 ,31+/m0/s1"	CC(=O)O[C@H]1CC2[C@@]([C@H](C1(C)C)C(C(=O)OC)O)(C3CC(C4(C(OC(=O)[C@H]([C@@]4(C3=C)O2)O)C5=COC=C5)C)OC(=O)C)C	NKHYHRMLCJNKHW-FENVKJGXSA-N
DG52977	"[5-(N-(2-ethoxy-2-oxoethyl)anilino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium;bromide"	360463	NSC622597; CHEMBL1993327; NSC-622597	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622597	.	.	.	.	404.4	C14H18BrN3O2S2	95.5	442	.	22	0	5	6	"InChI=1S/C14H18N3O2S2.BrH/c1-4-19-12(18)10-17(11-8-6-5-7-9-11)14-15-13(16(2)3)20-21-14;/h5-9H,4,10H2,1-3H3;1H/q+1;/p-1"	CCOC(=O)CN(C1=CC=CC=C1)C2=NC(=[N+](C)C)SS2.[Br-]	IXIVRICBGRJLJE-UHFFFAOYSA-M
DG52978	"Dimethyl 2-((1-piperidinylcarbothioyl)imino)-1,3-dithiole-4,5-dicarboxylate"	360472	"NSC622604; Dimethyl 2-((1-piperidinylcarbothioyl)imino)-1,3-dithiole-4,5-dicarboxylate; CHEMBL2001259; ZINC1616934; dimethyl 2-(piperidine-1-carbothioylimino)-1,3-dithiole-4,5-dicarboxylate; NSC-622604; NCI60_006646"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622604	.	.	.	.	360.5	C13H16N2O4S3	151	524	3	22	0	7	4	"InChI=1S/C13H16N2O4S3/c1-18-10(16)8-9(11(17)19-2)22-13(21-8)14-12(20)15-6-4-3-5-7-15/h3-7H2,1-2H3"	COC(=O)C1=C(SC(=NC(=S)N2CCCCC2)S1)C(=O)OC	MUXJVWAXUQQCOV-UHFFFAOYSA-N
DG52979	"1,4-Dithiazol-3-amine, 5-[(2-furanyl)methylimino]-N,N-dimethyl-, monohydrobromide"	360474	"NSC622608; MLS000757230; 2593254-90-9; 3-((Furan-2-ylmethyl)imino)-N,N-dimethyl-3H-1,2,4-dithiazol-5-amine hydrobromide; 1,2,4-Dithiazol-3-amine, 5-[(2-furanyl)methylimino]- N, N-dimethyl-, monohydrobromide; SMR000529050; CHEMBL2004241; CCG-35604; s9869; NSC-622608; BS-47401; 1,4-Dithiazol-3-amine, 5-[(2-furanyl)methylimino]- N,N-dimethyl-, monohydrobromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622608	.	.	.	.	322.3	C9H12BrN3OS2	91.7	291	.	16	1	4	3	"InChI=1S/C9H11N3OS2.BrH/c1-12(2)9-11-8(14-15-9)10-6-7-4-3-5-13-7;/h3-5H,6H2,1-2H3;1H"	CN(C)C1=NC(=NCC2=CC=CO2)SS1.Br	VVZWMEHUXGPOIY-UHFFFAOYSA-N
DG52980	"3H-Naphtho[1, 4,5-dihydro-6-nitro-, ethyl ester"	360479	"NSC622613; CHEMBL1966200; ZINC5811594; NSC-622613; NCI60_006654; 3H-Naphtho[1, 4,5-dihydro-6-nitro-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622613	.	.	.	.	275.26	C14H13NO5	85.3	407	3.5	20	0	5	3	"InChI=1S/C14H13NO5/c1-2-19-14(16)13-9-5-3-4-8-10(15(17)18)6-7-11(20-13)12(8)9/h6-7H,2-5H2,1H3"	CCOC(=O)C1=C2CCCC3=C(C=CC(=C32)O1)[N+](=O)[O-]	KVSSXNFYCCIYSG-UHFFFAOYSA-N
DG52981	"2,6-Dinitro-4-(trifluoromethyl)benzonitrile"	360492	"2,6-dinitro-4-(trifluoromethyl)benzonitrile; 35213-02-6; NSC622626; 2,6-dinitro-4-trifluoromethyl-benzonitrile; Benzonitrile, 2,6-dinitro-4-(trifluoromethyl)-; SCHEMBL3033497; CHEMBL1966608; DTXSID80326937; ZINC1616946; MFCD17168414; AKOS030240060; GS-2004; NSC-622626; 2,6-dinitro-4-trifluoromethylbenzonitrile; NCI60_006667; 2,6-Bis(hydroxy(oxido)amino)-4-(trifluoromethyl)benzonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622626	.	.	.	.	261.11	C8H2F3N3O4	115	381	1.6	18	0	8	0	"InChI=1S/C8H2F3N3O4/c9-8(10,11)4-1-6(13(15)16)5(3-12)7(2-4)14(17)18/h1-2H"	C1=C(C=C(C(=C1[N+](=O)[O-])C#N)[N+](=O)[O-])C(F)(F)F	JVMGGCAIQROQMF-UHFFFAOYSA-N
DG52982	"2-(Chloromethyl)-1,3-dinitro-5-(trifluoromethyl)benzene"	360493	"NSC622627; 2-(chloromethyl)-1,3-dinitro-5-(trifluoromethyl)benzene; NCIMech_000131; CHEMBL1991873; ZINC1616947; CCG-35242; NSC-622627; NCI60_006668; Benzene, 2-(chloromethyl)-1,3-dinitro-5-(trifluoromethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622627	.	.	.	.	284.57	C8H4ClF3N2O4	91.6	317	2.9	18	0	7	1	"InChI=1S/C8H4ClF3N2O4/c9-3-5-6(13(15)16)1-4(8(10,11)12)2-7(5)14(17)18/h1-2H,3H2"	C1=C(C=C(C(=C1[N+](=O)[O-])CCl)[N+](=O)[O-])C(F)(F)F	KPRLWYSEFTZEDA-UHFFFAOYSA-N
DG52983	"Dimethyl-(5-morpholin-4-yl-1,2,4-dithiazol-3-ylidene)azanium;bromide"	360510	NSC622647; CHEMBL1975808; NSC-622647	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622647	.	.	.	.	312.3	C8H14BrN3OS2	78.4	280	.	15	0	4	1	"InChI=1S/C8H14N3OS2.BrH/c1-10(2)7-9-8(14-13-7)11-3-5-12-6-4-11;/h3-6H2,1-2H3;1H/q+1;/p-1"	C[N+](=C1N=C(SS1)N2CCOCC2)C.[Br-]	ZYGNLPKIOWPLIC-UHFFFAOYSA-M
DG52984	"5-(1-Piperidinyl)-3H-1,2,4-dithiazole-3-thione"	360516	"NSC622652; 5-(1-Piperidinyl)-3H-1,2,4-dithiazole-3-thione; CHEMBL1976419; ZINC1616964; NSC-622652; NCI60_006693; 5-(1-piperidyl)-1,2,4-dithiazole-3-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622652	.	.	.	.	218.4	C7H10N2S3	98.3	221	2.1	12	0	3	1	InChI=1S/C7H10N2S3/c10-7-8-6(11-12-7)9-4-2-1-3-5-9/h1-5H2	C1CCN(CC1)C2=NC(=S)SS2	NLBWZAQXNUOUOW-UHFFFAOYSA-N
DG52985	"4-Methyl-3-nitro-5-(4-nitrophenyl)pyrazolo[4,3-c][1,2]selenazol-6-one"	360531	NSC622666; CHEMBL1982680; NSC-622666; NCI60_006706	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622666	.	.	.	.	368.17	C11H7N5O5Se	128	500	.	22	0	7	1	"InChI=1S/C11H7N5O5Se/c1-13-9-8(12-22-11(9)16(20)21)10(17)14(13)6-2-4-7(5-3-6)15(18)19/h2-5H,1H3"	CN1C2=C([Se]N=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]	NIQHXNBDSPOOLF-UHFFFAOYSA-N
DG52986	"(5E)-5-(2,2-diethoxyethylimino)-N,N-dimethyl-1,2,4-dithiazol-3-amine"	360559	"NSC622688; SMR001565378; cid_360558; CHEMBL1906839; CHEMBL2008986; BDBM89487; ZINC17189090; ZINC84347123; NCI60_006728; (5E)-5-(2,2-diethoxyethylimino)-N,N-dimethyl-1,2,4-dithiazol-3-amine; [5-(2,2-diethoxyethylimino)-1,2,4-dithiazol-3-yl]-dimethyl-amine;hydrobromide; 3-((2,2-Diethoxyethyl)imino)-N,N-dimethyl-3H-1,2,4-dithiazol-5-amine hydrobromide; 5-(2,2-diethoxyethylimino)-N,N-dimethyl-1,2,4-dithiazol-3-amine;hydrobromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622688	.	.	.	.	277.4	C10H19N3O2S2	97	289	1.3	17	0	5	7	"InChI=1S/C10H19N3O2S2/c1-5-14-8(15-6-2)7-11-9-12-10(13(3)4)17-16-9/h8H,5-7H2,1-4H3"	CCOC(CN=C1N=C(SS1)N(C)C)OCC	KOMWVXGNTBAGDZ-UHFFFAOYSA-N
DG52987	"Methanaminium,3-cyclohexanediyl)bis(methyl)bis [N,N,N-trimethyl-, diiodide"	360569	"MLS002701786; SMR001565380; NSC622700; NSC-622700; Methanaminium,3-cyclohexanediyl)bis(methyl)bis [N,N,N-trimethyl-, diiodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622700	.	.	.	.	369.31	C14H30IN2O+	17.1	247	.	18	0	2	4	"InChI=1S/C14H30N2O.HI/c1-15(2,3)10-12-8-7-9-13(14(12)17)11-16(4,5)6;/h12-13H,7-11H2,1-6H3;1H/q+2;/p-1"	C[N+](C)(C)CC1CCCC(C1=O)C[N+](C)(C)C.[I-]	GCQIAPMWRHRIFN-UHFFFAOYSA-M
DG52988	"N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]quinolin-5-amine"	360580	NSC622732; MLS003373971; NCIMech_000330; CHEMBL1986273; ZINC1617007; CCG-35636; NSC-622732; NCI60_006750; SMR002048759	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622732	.	.	.	.	308.8	C17H13ClN4	42.7	385	4.3	22	1	3	2	"InChI=1S/C17H13ClN4/c1-22-17-11(10-19-22)9-14-15(3-2-4-16(14)21-17)20-13-7-5-12(18)6-8-13/h2-10,20H,1H3"	CN1C2=NC3=C(C=C2C=N1)C(=CC=C3)NC4=CC=C(C=C4)Cl	FVIKROWDZIGBFN-UHFFFAOYSA-N
DG52989	"[4,5-Diacetyloxy-6-[[2-methoxy-1-methyl-6-oxo-5-(3-oxobutan-2-ylideneamino)pyrimidin-4-yl]amino]oxan-3-yl] acetate"	360584	NSC622759; CHEMBL1974762; NSC-622759; NCI60_006753	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622759	.	.	.	.	496.5	C21H28N4O10	172	1000	-0.6	35	1	13	11	"InChI=1S/C21H28N4O10/c1-9(10(2)26)22-15-18(24-21(31-7)25(6)20(15)30)23-19-17(35-13(5)29)16(34-12(4)28)14(8-32-19)33-11(3)27/h14,16-17,19,23H,8H2,1-7H3"	CC(=NC1=C(N=C(N(C1=O)C)OC)NC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C	ZEZPEGRFFYKSBS-UHFFFAOYSA-N
DG52990	NSC622769	360594	"[3,4,5-Triacetoxy-6-[[1-methyl-5-[2-[1-methyl-2-methylsulfanyl-6-oxo-4-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]pyrimidin-5-yl]iminoethylideneamino]-2-methylsulfanyl-6-oxo-pyrimidin-4-yl]amino]tetrahydropyran-2-yl]methyl acetate; NSC628736; Pyrimidine-5, N(5),N(5')- (1,2-ethanediylidene)bis[N(6)-.beta.-D-glucopyranosyl- 3,4-dihydro-3-methyl-2-(methylthio)-4-oxo-, octaacetate ester; CHEMBL1993211; NSC622769; NSC-622769; NSC-628736; NCI60_006763; [3,4,5-triacetoxy-6-[[1-methyl-5-[2-[1-methyl-2-methylsulfanyl-6-oxo-4-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]pyrimidin-5-yl]iminoethylideneamino]-2-methylsulfanyl-6-oxo-pyrimidin-4-yl]amino]tetrahydropyran-2-yl]methyl acetate; Pyrimidine-5,6-diamine,N(5),N(5')- (1,2-ethanediylidene)bis[N(6)-.beta.-D-glucopyranosyl- 3,4-dihydro-3-methyl-2-(methylthio)-4-oxo-,octaacetate ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622769	.	.	.	.	1055.1	C42H54N8O20S2	394	2210	0.3	72	2	28	27	"InChI=1S/C42H54N8O20S2/c1-17(51)61-15-25-29(63-19(3)53)31(65-21(5)55)33(67-23(7)57)37(69-25)45-35-27(39(59)49(9)41(47-35)71-11)43-13-14-44-28-36(48-42(72-12)50(10)40(28)60)46-38-34(68-24(8)58)32(66-22(6)56)30(64-20(4)54)26(70-38)16-62-18(2)52/h13-14,25-26,29-34,37-38,45-46H,15-16H2,1-12H3"	CC(=O)OCC1C(C(C(C(O1)NC2=C(C(=O)N(C(=N2)SC)C)N=CC=NC3=C(N=C(N(C3=O)C)SC)NC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	JLEALZGELKWNGZ-UHFFFAOYSA-N
DG52991	N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)acetamide	360601	NSC622776; SCHEMBL8394009; CHEMBL1968353; ZINC1617013; NSC-622776; NCI60_006769	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622776	.	.	.	.	212.21	C8H12N4O3	97	372	-1.2	15	2	5	2	"InChI=1S/C8H12N4O3/c1-4(13)10-5-6(9)11-8(15-3)12(2)7(5)14/h9H2,1-3H3,(H,10,13)"	CC(=O)NC1=C(N=C(N(C1=O)C)OC)N	NHONTPHYBFKACM-UHFFFAOYSA-N
DG52992	"4,10-Diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11,13,15-hexaen-6-one;hydrobromide"	360605	NSC622809; CHEMBL1966299; NSC-622809	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622809	.	.	.	.	317.18	C15H13BrN2O	34.9	356	.	19	1	2	0	"InChI=1S/C15H12N2O.BrH/c18-13-6-3-9-17-12-5-2-1-4-10(12)11-7-8-16-14(13)15(11)17;/h1-2,4-5,7-8H,3,6,9H2;1H"	C1CC(=O)C2=NC=CC3=C2N(C1)C4=CC=CC=C34.Br	XYUNLYCEMOVSHE-UHFFFAOYSA-N
DG52993	2-Oxo-4-(methylthio)-6-(benzofuran-2-yl)-2H-pyran-3-carbonitrile	360615	NSC622920; CHEMBL1986533; ZINC1617030; AKOS024287874; MCULE-4569813452; NSC-622920; NCI60_006779; 2-Oxo-4-(methylthio)-6-(benzofuran-2-yl)-2H-pyran-3-carbonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622920	.	.	.	.	283.3	C15H9NO3S	88.5	543	3	20	0	5	2	"InChI=1S/C15H9NO3S/c1-20-14-7-13(19-15(17)10(14)8-16)12-6-9-4-2-3-5-11(9)18-12/h2-7H,1H3"	CSC1=C(C(=O)OC(=C1)C2=CC3=CC=CC=C3O2)C#N	DYBANZPZJWBXCI-UHFFFAOYSA-N
DG52994	6-(1-Benzofuran-2-yl)-4-(4-methylpiperidin-1-yl)-2-oxopyran-3-carbonitrile	360616	NSC622921; CHEMBL1968120; ZINC1617031; NSC-622921; NCI60_006780	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622921	.	.	.	.	334.4	C20H18N2O3	66.5	664	3.9	25	0	5	2	"InChI=1S/C20H18N2O3/c1-13-6-8-22(9-7-13)16-11-19(25-20(23)15(16)12-21)18-10-14-4-2-3-5-17(14)24-18/h2-5,10-11,13H,6-9H2,1H3"	CC1CCN(CC1)C2=C(C(=O)OC(=C2)C3=CC4=CC=CC=C4O3)C#N	NSQJTCHNSAUKNC-UHFFFAOYSA-N
DG52995	6-(4-Methoxyphenyl)-2-oxo-4-(4-phenylpiperazin-1-yl)pyran-3-carbonitrile	360619	NSC622924; CHEMBL1995230; ZINC1617034; NSC-622924; NCI60_006783	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622924	.	.	.	.	387.4	C23H21N3O3	65.8	713	3.8	29	0	6	4	"InChI=1S/C23H21N3O3/c1-28-19-9-7-17(8-10-19)22-15-21(20(16-24)23(27)29-22)26-13-11-25(12-14-26)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3"	COC1=CC=C(C=C1)C2=CC(=C(C(=O)O2)C#N)N3CCN(CC3)C4=CC=CC=C4	UCLIAKOEAUNNPI-UHFFFAOYSA-N
DG52996	4-[4-(4-Chlorophenyl)piperazin-1-yl]-6-(4-methoxyphenyl)-2-oxopyran-3-carbonitrile	360621	NSC622926; CHEMBL1992512; ZINC1617036; NSC-622926; NCI60_006785	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622926	.	.	.	.	421.9	C23H20ClN3O3	65.8	747	4.4	30	0	6	4	"InChI=1S/C23H20ClN3O3/c1-29-19-8-2-16(3-9-19)22-14-21(20(15-25)23(28)30-22)27-12-10-26(11-13-27)18-6-4-17(24)5-7-18/h2-9,14H,10-13H2,1H3"	COC1=CC=C(C=C1)C2=CC(=C(C(=O)O2)C#N)N3CCN(CC3)C4=CC=C(C=C4)Cl	ZYDZUNWXNWKUMC-UHFFFAOYSA-N
DG52997	"2-(5-Chloro-8-hydroxy-1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid"	360626	NSC622931; CHEMBL1985018; NSC-622931; NCI60_006790	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622931	.	.	.	.	312.73	C13H9ClO5S	117	489	3	20	2	6	3	"InChI=1S/C13H9ClO5S/c1-5(13(18)19)20-9-4-8(16)10-6(14)2-3-7(15)11(10)12(9)17/h2-5,15H,1H3,(H,18,19)"	CC(C(=O)O)SC1=CC(=O)C2=C(C=CC(=C2C1=O)O)Cl	HFVPFHIMWZJVRA-UHFFFAOYSA-N
DG52998	"2-[(5,8-Dihydroxy-1,4-dioxo-2-naphthyl)sulfanyl]propanoic acid"	360627	"NSC622932; CHEMBL187519; NSC-622932; NCI60_006791; 2-[(5,8-dihydroxy-1,4-dioxo-2-naphthyl)sulfanyl]propanoic acid; 2-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-ylsulfanyl)-propionic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622932	.	.	.	.	294.28	C13H10O6S	137	485	2.6	20	3	7	3	"InChI=1S/C13H10O6S/c1-5(13(18)19)20-9-4-8(16)10-6(14)2-3-7(15)11(10)12(9)17/h2-5,14-15H,1H3,(H,18,19)"	CC(C(=O)O)SC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O	NKCCLIOPANGWKR-UHFFFAOYSA-N
DG52999	"2-(6-Aminopurin-9-yl)-5-(heptylsulfanylmethyl)oxolane-3,4-diol"	360632	NSC622938; CHEMBL1967343; NSC-622938; NCI60_006797	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622938	.	.	.	.	381.5	C17H27N5O3S	145	435	2.6	26	3	8	9	"InChI=1S/C17H27N5O3S/c1-2-3-4-5-6-7-26-8-11-13(23)14(24)17(25-11)22-10-21-12-15(18)19-9-20-16(12)22/h9-11,13-14,17,23-24H,2-8H2,1H3,(H2,18,19,20)"	CCCCCCCSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O	HMECIBOATAUFOB-UHFFFAOYSA-N
DG53000	"methyl 2-cyano-2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-N-phenylethanimidothioate"	360633	NSC622939; CHEMBL2001771; ZINC17189166; ZINC104277415; NSC-622939; NCI60_006798	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622939	.	.	.	.	340.4	C18H16N2O3S	97	648	3.4	24	0	6	5	"InChI=1S/C18H16N2O3S/c1-22-15-9-12(10-16(23-2)17(15)21)14(11-19)18(24-3)20-13-7-5-4-6-8-13/h4-10H,1-3H3"	COC1=CC(=C(C#N)C(=NC2=CC=CC=C2)SC)C=C(C1=O)OC	OBXUWOAVEVYOND-UHFFFAOYSA-N
DG53001	"N-[[4,6-bis(trifluoromethyl)-5H-pyrimidin-2-ylidene]amino]-5,6-diphenyl-1,2,4-triazin-3-amine"	360651	NSC622958; CHEMBL1999194; NSC-622958; NCI60_006801	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622958	.	.	.	.	477.4	C21H13F6N7	87.8	762	5.3	34	1	11	4	"InChI=1S/C21H13F6N7/c22-20(23,24)14-11-15(21(25,26)27)29-18(28-14)32-34-19-30-16(12-7-3-1-4-8-12)17(31-33-19)13-9-5-2-6-10-13/h1-10H,11H2,(H,30,33,34)"	C1C(=NC(=NNC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)N=C1C(F)(F)F)C(F)(F)F	UCEULQJGJGKBPQ-UHFFFAOYSA-N
DG53002	"Spiro[1H-indene-1,2'-[2H]indene]-1',3'-dione, 2,3-dihydro-"	360665	"NSC622983; Spiro[1H-indene-1,2'-[2H]indene]-1',3'-dione, 2,3-dihydro-; SCHEMBL7598821; CHEMBL1973140; 1,2'-Spirobiindane-1',3'-dione; 1,2'-spirobi[indane]-1',3'-dione; NSC-622983; NCI60_006813"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622983	.	.	.	.	248.27	C17H12O2	34.1	401	3.3	19	0	2	0	"InChI=1S/C17H12O2/c18-15-12-6-2-3-7-13(12)16(19)17(15)10-9-11-5-1-4-8-14(11)17/h1-8H,9-10H2"	C1CC2(C3=CC=CC=C31)C(=O)C4=CC=CC=C4C2=O	SVURPRPILSVOQG-UHFFFAOYSA-N
DG53003	"Spiro(3-cyclopentene-1,5-dione, 3-bromo-"	360666	"NSC622984; CHEMBL1964682; NSC-622984; NCI60_006814; Spiro(3-cyclopentene-1,5-dione, 3-bromo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622984	.	.	.	.	277.11	C13H9BrO2	34.1	399	2.8	16	0	2	0	"InChI=1S/C13H9BrO2/c14-10-7-11(15)13(12(10)16)6-5-8-3-1-2-4-9(8)13/h1-4,7H,5-6H2"	C1CC2(C3=CC=CC=C31)C(=O)C=C(C2=O)Br	IQFPNRVCYKVXMC-UHFFFAOYSA-N
DG53004	"Spiro[1,2-dihydroindene-3,2'-cyclopent-4-ene]-1',3'-dione"	360667	NSC622985; CHEMBL1998374; NSC-622985; NCI60_006815	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622985	.	.	.	.	198.22	C13H10O2	34.1	336	1.9	15	0	2	0	"InChI=1S/C13H10O2/c14-11-5-6-12(15)13(11)8-7-9-3-1-2-4-10(9)13/h1-6H,7-8H2"	C1CC2(C(=O)C=CC2=O)C3=CC=CC=C31	IVBBQCZURZUFPN-UHFFFAOYSA-N
DG53005	"(5',6'-Diacetyloxy-1',3'-dioxospiro[1,2-dihydroindene-3,2'-3a,4,9,9a-tetrahydrocyclopenta[g]naphthalene]-8'-yl) acetate"	360672	NSC622990; CHEMBL1988162; NSC-622990; NCI60_006819	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622990	.	.	.	.	476.5	C27H24O8	113	942	2.8	35	0	8	6	"InChI=1S/C27H24O8/c1-13(28)33-22-12-23(34-14(2)29)24(35-15(3)30)18-11-20-19(10-17(18)22)25(31)27(26(20)32)9-8-16-6-4-5-7-21(16)27/h4-7,12,19-20H,8-11H2,1-3H3"	CC(=O)OC1=CC(=C(C2=C1CC3C(C2)C(=O)C4(C3=O)CCC5=CC=CC=C45)OC(=O)C)OC(=O)C	XJVZXWIZAYAVHC-UHFFFAOYSA-N
DG53006	"Benzoic acid,2-[[[(4S)-4-carboxy-4-[[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]amino]butyl]amino]carbonyl]-"	360682	"CHEMBL18155; 113857-87-7; NSC-623017; NSC-633713; Benzoic acid,2-[[[(4S)-4-carboxy-4-[[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]amino]butyl]amino]carbonyl]-; SCHEMBL1060264; DTXSID20921223; BDBM50011320; NSC623017; NSC633713; NCI60_006821; NCI60_011223; N.alpha.-(4-Amino-4-deoxypteroyl)-N.delta.- hemiphthaloyl-L-ornithine; Benzoic acid,4-diamino- 6-pteridinyl)methyl]amino]benzoyl]amino]butyl]amino]carbonyl; L-Ornithine,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-N.delta.-(2-carboxybenzoyl)-; N(sup).alpha.-(4-amino-4-deoxypteroyl)-N(sup).delta.-hemiphthaloyl-L-ornithine; N(SUP).ALPHA.-(4-AMINO-4-DEOXYPTEROYL)-N(SUP).GAMMA.-HEMIPHTHALOYL-L-ORNITHINE; N.ALPHA.-(4-AMINO-4-DEOXYLPTEROYL)-N.DELTA.-HEMIPHTHALOYL-L-ORNITHINE; 2-[{[4-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl]amino}benzamido)-4-carboxybutyl]imino}(hydroxy)methyl]benzoic acid; N-(4-Carboxy-4-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid(PT523)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623017	.	.	.	.	573.6	C27H27N9O6	248	949	-0.6	42	7	13	12	"InChI=1S/C27H27N9O6/c28-21-20-22(36-27(29)35-21)32-13-16(33-20)12-31-15-9-7-14(8-10-15)23(37)34-19(26(41)42)6-3-11-30-24(38)17-4-1-2-5-18(17)25(39)40/h1-2,4-5,7-10,13,19,31H,3,6,11-12H2,(H,30,38)(H,34,37)(H,39,40)(H,41,42)(H4,28,29,32,35,36)"	C1=CC=C(C(=C1)C(=O)NCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)O	NYQPLPNEESYGNO-UHFFFAOYSA-N
DG53007	"3-(1,3-Benzothiazol-2-yl)-N-(2-ethyl-6-methylphenyl)-2-oxopropanamide"	360702	"NSC623038; CHEMBL1987704; ZINC1617109; 3-(1,3-Benzothiazol-2-yl)-N-(2-ethyl-6-methylphenyl)-2-oxopropanamide; NSC-623038; NCI60_006834; 3-(1,3-benzothiazol-2-yl)-N-(2-ethyl-6-methyl-phenyl)-2-oxo-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623038	.	.	.	.	338.4	C19H18N2O2S	87.3	470	4.2	24	1	4	5	"InChI=1S/C19H18N2O2S/c1-3-13-8-6-7-12(2)18(13)21-19(23)15(22)11-17-20-14-9-4-5-10-16(14)24-17/h4-10H,3,11H2,1-2H3,(H,21,23)"	CCC1=CC=CC(=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3S2)C	HBAKRMUVDKHXIM-UHFFFAOYSA-N
DG53008	"3,5a,9-trimethyl-8-phenylimino-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2-one"	360739	NSC623078; CHEMBL1993768; NSC-623078; NCI60_006868	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623078	.	.	.	.	321.4	C21H23NO2	38.7	638	4.1	24	0	3	1	"InChI=1S/C21H23NO2/c1-13-16-9-11-21(3)12-10-17(22-15-7-5-4-6-8-15)14(2)18(21)19(16)24-20(13)23/h4-8,10,12-13,16,19H,9,11H2,1-3H3"	CC1C2CCC3(C=CC(=NC4=CC=CC=C4)C(=C3C2OC1=O)C)C	AJKVSLUKBHCQIS-UHFFFAOYSA-N
DG53009	NSC623081	360742	"14,31-Ditert-butyl-6-chloro-18,21,24,27-tetraoxa-2lambda6,11lambda6-dithia-3,10-diazatetracyclo[26.4.0.04,9.012,17]dotriaconta-1(28),4(9),5,7,12(17),13,15,29,31-nonaene 2,2,11,11-tetraoxide; NSC623081; CHEMBL2003833; NSC-623081; NCI60_006871"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623081	.	.	.	.	681.3	C32H41ClN2O8S2	146	1150	6.4	45	2	10	2	"InChI=1S/C32H41ClN2O8S2/c1-31(2,3)22-7-11-27-29(19-22)44(36,37)34-25-10-9-24(33)21-26(25)35-45(38,39)30-20-23(32(4,5)6)8-12-28(30)43-18-16-41-14-13-40-15-17-42-27/h7-12,19-21,34-35H,13-18H2,1-6H3"	CC(C)(C)C1=CC2=C(C=C1)OCCOCCOCCOC3=C(C=C(C=C3)C(C)(C)C)S(=O)(=O)NC4=C(C=CC(=C4)Cl)NS2(=O)=O	JAFHGQKNNJPWDJ-UHFFFAOYSA-N
DG53010	5-Tert-butyl-2-[2-[2-(4-tert-butyl-2-sulfamoylphenoxy)ethoxy]ethoxy]benzenesulfonamide	360743	NSC623082; CHEMBL1978866; ZINC1617151; NSC-623082; NCI60_006872	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623082	.	.	.	.	528.7	C24H36N2O7S2	165	796	3.9	35	2	9	12	"InChI=1S/C24H36N2O7S2/c1-23(2,3)17-7-9-19(21(15-17)34(25,27)28)32-13-11-31-12-14-33-20-10-8-18(24(4,5)6)16-22(20)35(26,29)30/h7-10,15-16H,11-14H2,1-6H3,(H2,25,27,28)(H2,26,29,30)"	CC(C)(C)C1=CC(=C(C=C1)OCCOCCOC2=C(C=C(C=C2)C(C)(C)C)S(=O)(=O)N)S(=O)(=O)N	HWGLNJSEEGWWIQ-UHFFFAOYSA-N
DG53011	5-tert-butyl-2-[2-[2-[4-tert-butyl-2-[(4-nitrophenyl)sulfamoyl]phenoxy]ethoxy]ethoxy]-N-(4-nitrophenyl)benzenesulfonamide	360745	NSC623084; CHEMBL1973305; NSC-623084; NCI60_006874	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623084	.	.	.	.	770.9	C36H42N4O11S2	228	1290	7.5	53	2	13	16	"InChI=1S/C36H42N4O11S2/c1-35(2,3)25-7-17-31(33(23-25)52(45,46)37-27-9-13-29(14-10-27)39(41)42)50-21-19-49-20-22-51-32-18-8-26(36(4,5)6)24-34(32)53(47,48)38-28-11-15-30(16-12-28)40(43)44/h7-18,23-24,37-38H,19-22H2,1-6H3"	CC(C)(C)C1=CC(=C(C=C1)OCCOCCOC2=C(C=C(C=C2)C(C)(C)C)S(=O)(=O)NC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)NC4=CC=C(C=C4)[N+](=O)[O-]	OKJVJMASCLRMSJ-UHFFFAOYSA-N
DG53012	"N-[2-(2,4-dimethyl-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl)phenyl]-2,2,2-trifluoroacetamide"	360750	NSC623089; CHEMBL1985182; ZINC1617155; NSC-623089; NCI60_006879	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623089	.	.	.	.	344.31	C13H11F3N4O2S	97.1	564	2	23	1	7	2	"InChI=1S/C13H11F3N4O2S/c1-19-10(21)9(18-20(2)12(19)23)7-5-3-4-6-8(7)17-11(22)13(14,15)16/h3-6H,1-2H3,(H,17,22)"	CN1C(=O)C(=NN(C1=S)C)C2=CC=CC=C2NC(=O)C(F)(F)F	AWDXZEUFEXZYTQ-UHFFFAOYSA-N
DG53013	"[2-Octadecanoyloxy-3-[3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]oxypropyl] octadecanoate"	360773	NSC623122; CHEMBL2000210; NSC-623122; NCI60_006892	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623122	.	.	.	.	867.1	C45H87O13P	199	1040	13	59	5	13	43	"InChI=1S/C45H87O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(46)54-35-38(36-55-45-44(50)43(49)42(48)39(58-45)37-56-59(51,52)53)57-41(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,42-45,48-50H,3-37H2,1-2H3,(H2,51,52,53)"	CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COP(=O)(O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC	JWRRVIFXCMSXOD-UHFFFAOYSA-N
DG53014	"4,5-Bis(phenylsulfanyl)-2,3,4,5-tetrahydro-1-benzothiepine"	360777	NSC623132; CHEMBL1998919; NSC-623132; NCI60_006896	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623132	.	.	.	.	380.6	C22H20S3	75.9	387	6.9	25	0	3	4	"InChI=1S/C22H20S3/c1-3-9-17(10-4-1)24-21-15-16-23-20-14-8-7-13-19(20)22(21)25-18-11-5-2-6-12-18/h1-14,21-22H,15-16H2"	C1CSC2=CC=CC=C2C(C1SC3=CC=CC=C3)SC4=CC=CC=C4	SCFOBPDCHDKGSU-UHFFFAOYSA-N
DG53015	"1,3-Dichloro-2-(3,4-dichlorophenyl)-5,6-dimethoxy-1H-indene"	360783	"NSC623164; 1,3-Dichloro-2-(3,4-dichlorophenyl)-5,6-dimethoxy-1H-indene; CHEMBL1982500; NSC-623164; NCI60_006906"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623164	.	.	.	.	390.1	C17H12Cl4O2	18.5	470	5.6	23	0	2	3	"InChI=1S/C17H12Cl4O2/c1-22-13-6-9-10(7-14(13)23-2)17(21)15(16(9)20)8-3-4-11(18)12(19)5-8/h3-7,16H,1-2H3"	COC1=C(C=C2C(=C1)C(C(=C2Cl)C3=CC(=C(C=C3)Cl)Cl)Cl)OC	RGNHAZPGYSYMHQ-UHFFFAOYSA-N
DG53016	"2-(4-Bromophenyl)-1,3-dichloro-5,6-dimethoxy-1H-indene"	360785	"NSC623166; 2-(4-Bromophenyl)-1,3-dichloro-5,6-dimethoxy-1H-indene; CHEMBL1975024; NSC-623166; NCI60_006908"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623166	.	.	.	.	400.1	C17H13BrCl2O2	18.5	434	5	22	0	2	3	"InChI=1S/C17H13BrCl2O2/c1-21-13-7-11-12(8-14(13)22-2)17(20)15(16(11)19)9-3-5-10(18)6-4-9/h3-8,16H,1-2H3"	COC1=C(C=C2C(=C1)C(C(=C2Cl)C3=CC=C(C=C3)Br)Cl)OC	ZQEDTHGOYDNZKQ-UHFFFAOYSA-N
DG53017	NSC623310	360836	"[(6R,10S)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate; Prostratin; NSC623310; 60857-08-1; 12-Deoxyphorbol 13-acetate; 13-O-Acetylphorbol; NSC-623310; NCI60_006951; 5H-Cyclopropa[3,2-e]azulen-5-one, 9a-(acetyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro- 4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-,(1aR,1bS,4aR,7aS,7bR,8R,9aS)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623310	.	.	.	.	390.5	C22H30O6	104	825	0.7	28	3	6	3	"InChI=1S/C22H30O6/c1-11-6-16-20(26,18(11)25)9-14(10-23)7-15-17-19(4,5)21(17,28-13(3)24)8-12(2)22(15,16)27/h6-7,12,15-17,23,26-27H,8-10H2,1-5H3/t12 ,15-,16 ,17 ,20+,21 ,22 /m0/s1"	CC1CC2(C(C2(C)C)[C@H]3C1(C4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C	BOJKFRKNLSCGHY-UMJKPZNRSA-N
DG53018	"1,3-dimethyl-10-phenyl-5H-phenophosphazinine"	360852	NSC623452; CHEMBL1970843; ZINC73292599; NSC-623452; NCI60_006961	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623452	.	.	.	.	303.3	C20H18NP	12	378	5	22	1	1	1	"InChI=1S/C20H18NP/c1-14-12-15(2)20-18(13-14)21-17-10-6-7-11-19(17)22(20)16-8-4-3-5-9-16/h3-13,21H,1-2H3"	CC1=CC(=C2C(=C1)NC3=CC=CC=C3P2C4=CC=CC=C4)C	MJTPRORYSSCIPI-UHFFFAOYSA-N
DG53019	NSC623519	360858	"dimethyl (1S,8S,14S,15S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-14-phenylmethoxy-3,5,9-trioxa-10-azatetracyclo[6.6.1.02,6.011,15]pentadec-10-ene-8,15-dicarboxylate; NSC623519; NSC-623519; NCI60_006967"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623519	.	.	.	.	589.7	C30H43NO9Si	111	1060	.	41	0	10	10	"InChI=1S/C30H43NO9Si/c1-27(2,3)41(8,9)39-24-23-22(37-28(4,5)38-23)21-19(36-17-18-13-11-10-12-14-18)15-16-20-29(21,25(32)34-6)30(24,40-31-20)26(33)35-7/h10-14,19,21-24H,15-17H2,1-9H3/t19-,21-,22 ,23 ,24 ,29-,30-/m0/s1"	CC1(OC2[C@@H]3[C@H](CCC4=NO[C@@]([C@]34C(=O)OC)(C(C2O1)O[Si](C)(C)C(C)(C)C)C(=O)OC)OCC5=CC=CC=C5)C	DMRYIWCLYGZUHQ-DHLUTYDOSA-N
DG53020	NSC623520	360859	"dimethyl (1S,7S,8S,9S,10S,12S)-9,10-diacetyloxy-11-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-2-oxa-3-azatricyclo[6.3.1.04,12]dodec-3-ene-1,12-dicarboxylate; NSC623520; NSC-623520; NCI60_006968"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623520	.	.	.	.	633.8	C31H43NO11Si	145	1160	.	44	0	12	14	"InChI=1S/C31H43NO11Si/c1-18(33)40-24-23-21(39-17-20-13-11-10-12-14-20)15-16-22-30(23,27(35)37-6)31(43-32-22,28(36)38-7)26(25(24)41-19(2)34)42-44(8,9)29(3,4)5/h10-14,21,23-26H,15-17H2,1-9H3/t21-,23-,24-,25-,26 ,30-,31-/m0/s1"	CC(=O)O[C@H]1[C@@H]2[C@H](CCC3=NO[C@@]([C@]23C(=O)OC)(C([C@H]1OC(=O)C)O[Si](C)(C)C(C)(C)C)C(=O)OC)OCC4=CC=CC=C4	FFOBGGKXRFBRKK-IEKODYKCSA-N
DG53021	NSC623521	360860	"dimethyl (1S,2S,6S,8S,15S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-14-phenylmethoxy-3,5,9-trioxa-10-azatetracyclo[6.6.1.02,6.011,15]pentadec-10-ene-8,15-dicarboxylate; NSC623521; NSC-623521; NCI60_006969"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623521	.	.	.	.	589.7	C30H43NO9Si	111	1060	.	41	0	10	10	"InChI=1S/C30H43NO9Si/c1-27(2,3)41(8,9)39-24-23-22(37-28(4,5)38-23)21-19(36-17-18-13-11-10-12-14-18)15-16-20-29(21,25(32)34-6)30(24,40-31-20)26(33)35-7/h10-14,19,21-24H,15-17H2,1-9H3/t19 ,21-,22-,23-,24 ,29-,30-/m0/s1"	CC1(O[C@H]2[C@@H]3C(CCC4=NO[C@@]([C@]34C(=O)OC)(C([C@H]2O1)O[Si](C)(C)C(C)(C)C)C(=O)OC)OCC5=CC=CC=C5)C	DMRYIWCLYGZUHQ-SVEMFVIQSA-N
DG53022	6-[1-[2-[2-(3-Octadecoxy-2-pyrimidin-2-yloxypropoxy)ethoxy]ethyl]pyrrolidin-1-ium-1-yl]hexanoate	360861	"NSC623527; 129655-06-7; Pyrrolidinium, inner salt; CHEMBL1980812; DTXSID30326947; NSC-623527"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623527	.	.	.	.	678	C39H71N3O6	103	712	10.7	48	0	8	34	"InChI=1S/C39H71N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-31-46-35-37(48-39-40-25-23-26-41-39)36-47-34-33-45-32-30-42(28-20-21-29-42)27-19-17-18-24-38(43)44/h23,25-26,37H,2-22,24,27-36H2,1H3"	CCCCCCCCCCCCCCCCCCOCC(COCCOCC[N+]1(CCCC1)CCCCCC(=O)[O-])OC2=NC=CC=N2	AKLBMELLFAFCPP-UHFFFAOYSA-N
DG53023	"2-(2-Methylpropoxy)-1,3-benzodithiole"	360877	NSC623560; CHEMBL2001791; NSC-623560; NCI60_006980	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623560	.	.	.	.	226.4	C11H14OS2	59.8	170	4.2	14	0	3	3	"InChI=1S/C11H14OS2/c1-8(2)7-12-11-13-9-5-3-4-6-10(9)14-11/h3-6,8,11H,7H2,1-2H3"	CC(C)COC1SC2=CC=CC=C2S1	RIFYIHGDUGGDSN-UHFFFAOYSA-N
DG53024	"Diethyl 1-aminothieno[3,2-a]indolizine-2,4-dicarboxylate"	360880	NSC623586; CHEMBL1999574; NSC-623586; NCI60_006982	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623586	.	.	.	.	332.4	C16H16N2O4S	111	475	4.5	23	1	6	6	"InChI=1S/C16H16N2O4S/c1-3-21-15(19)12-13-10(9-7-5-6-8-18(9)12)11(17)14(23-13)16(20)22-4-2/h5-8H,3-4,17H2,1-2H3"	CCOC(=O)C1=C2C(=C3N1C=CC=C3)C(=C(S2)C(=O)OCC)N	VMJHAFOOHPPYGP-UHFFFAOYSA-N
DG53025	"4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-imine"	360889	"NSC623596; NSC623599; 4-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-imine; CHEMBL1971105; NSC-623596; NCI60_006985; NCI60_006988; 4-Methyl-1,4-benzotriazin-3(4H)-imine 1-oxide; 4-Methyl-1,2,4-benzotriazin-3(4H)-imine 1-oxide, hydrochloride; 3-Imino-4-methyl-3,4-dihydro-1lambda~5~,2,4-benzotriazin-1-ol hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623596	.	.	.	.	176.18	C8H8N4O	68.2	263	0.4	13	1	2	0	"InChI=1S/C8H8N4O/c1-11-6-4-2-3-5-7(6)12(13)10-8(11)9/h2-5,9H,1H3"	CN1C2=CC=CC=C2[N+](=NC1=N)[O-]	TVERWXXWVJCVKY-UHFFFAOYSA-N
DG53026	"3-[3-(2-Oxopropyl)thio][1,2,4]triazolyl triphenylphosphonium chloride, hydrochloride"	360919	"NSC623633; CHEMBL2009874; ZINC73386104; NCI60_007004; [2-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]-triphenyl-phosphonium; {3-[3-(2-Oxopropyl)thio][1,2,4]triazolyl} triphenylphosphonium chloride, hydrochloride; 1-(1H-1,2,4-Triazol-5-ylthio)-3-(triphenylphosphoranyl)acetone dihydrochloride; 3-[3-(2-Oxopropyl)thio][1,2,4]triazolyl triphenylphosphonium chloride, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623633	.	.	.	.	418.5	C23H21N3OPS+	83.9	471	5	29	1	4	8	"InChI=1S/C23H21N3OPS/c27-19(17-29-23-24-18-25-26-23)16-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18H,16-17H2,(H,24,25,26)/q+1"	C1=CC=C(C=C1)[P+](CC(=O)CSC2=NC=NN2)(C3=CC=CC=C3)C4=CC=CC=C4	JUZNXNFUMVWGMS-UHFFFAOYSA-N
DG53027	"2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione"	360922	"2-bromo-5-methoxycyclohexa-2,5-diene-1,4-dione; 23030-65-1; 2,5-Cyclohexadiene-1,4-dione, 2-bromo-5-methoxy-; NSC623636; 2-Bromo-5-methoxybenzo-1,4-quinone; 2-bromo-5-methoxy[1,4]benzoquinone; 1,4-Benzoquinone, 2-bromo-5-methoxy-; 1, 2-bromo-5-methoxy-; 2-Bromo-5-methoxybenzoquinone; SCHEMBL8580022; CHEMBL1994224; 2-Bromo-5-methoxy-p-benzoquinone; AMY16144; YAA03065; ZINC1617299; MFCD18452273; 2-bromo-5-methoxy-1,4-benzoquinone; AKOS024462441; DS-9694; NSC-623636; NCI60_007007; CS-0061963"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623636	.	.	.	.	217.02	C7H5BrO3	43.4	275	1.1	11	0	3	1	"InChI=1S/C7H5BrO3/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,1H3"	COC1=CC(=O)C(=CC1=O)Br	YNEPNZYQQQVSNM-UHFFFAOYSA-N
DG53028	"Benzoic acid, [(6-methyl-2-oxo-2H-benzopyran-4-yl)methoxy]-, methyl ester"	360923	"NSC623637; MLS003373977; NCIMech_000528; CHEMBL1881494; ZINC1617300; CCG-35633; NSC-623637; NCI60_007008; SMR002048765; methyl 2-[(6-methyl-2-oxo-chromen-4-yl)methoxy]benzoate; Benzoic acid, [(6-methyl-2-oxo-2H-benzopyran-4-yl)methoxy]-, methyl ester; Benzoic acid, [(6-methyl-2-oxo-2H-benzopyran- 4-yl)methoxy]-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623637	.	.	.	.	324.3	C19H16O5	61.8	512	3.1	24	0	5	5	"InChI=1S/C19H16O5/c1-12-7-8-17-15(9-12)13(10-18(20)24-17)11-23-16-6-4-3-5-14(16)19(21)22-2/h3-10H,11H2,1-2H3"	CC1=CC2=C(C=C1)OC(=O)C=C2COC3=CC=CC=C3C(=O)OC	AEWJHLXXHVQICB-UHFFFAOYSA-N
DG53029	"Cyclopentanone,5-bis[(trimethylamino)methyl]-, iodide"	360925	"NSC623639; NSC-623639; Cyclopentanone,5-bis[(trimethylamino)methyl]-, iodide; Cyclopentane-1, N,N,N,N',N',N'-hexamethyl-2-oxo-, iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623639	.	.	.	.	355.28	C13H28IN2O+	17.1	234	.	17	0	2	4	"InChI=1S/C13H28N2O.HI/c1-14(2,3)9-11-7-8-12(13(11)16)10-15(4,5)6;/h11-12H,7-10H2,1-6H3;1H/q+2;/p-1"	C[N+](C)(C)CC1CCC(C1=O)C[N+](C)(C)C.[I-]	XZDUCKVDLVJZIK-UHFFFAOYSA-M
DG53030	"1,4-Epoxy-1H-2,3-benzodioxepin, 5-chloro-4,5-dihydro-1,4-diphenyl-"	360981	"NSC623712; 1,4-Epoxy-1H-2,3-benzodioxepin, 5-chloro-4,5-dihydro-1,4-diphenyl-; CHEMBL2003234; NSC-623712; NCI60_007038"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623712	.	.	.	.	350.8	C21H15ClO3	27.7	488	4.5	25	0	3	2	"InChI=1S/C21H15ClO3/c22-19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)23-21(19,25-24-20)16-11-5-2-6-12-16/h1-14,19H"	C1=CC=C(C=C1)C23C(C4=CC=CC=C4C(O2)(OO3)C5=CC=CC=C5)Cl	OOWNMAQQRZZARS-UHFFFAOYSA-N
DG53031	"3-[(3,5-Dichlorophenyl)methyl-methylamino]-1,2-diphenylpropan-1-one"	360991	MLS002701609; NSC623723; CHEMBL1732764; NSC-623723; SMR001565210	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623723	.	.	.	.	398.3	C23H21Cl2NO	20.3	449	6	27	0	2	7	"InChI=1S/C23H21Cl2NO/c1-26(15-17-12-20(24)14-21(25)13-17)16-22(18-8-4-2-5-9-18)23(27)19-10-6-3-7-11-19/h2-14,22H,15-16H2,1H3"	CN(CC1=CC(=CC(=C1)Cl)Cl)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3	HYBVVHAETRLEFE-UHFFFAOYSA-N
DG53032	"4-(3-Methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxo-N-(2-(trifluoromethyl)phenyl)butanamide"	360993	"NSC623725; 4-(3-Methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxo-N-(2-(trifluoromethyl)phenyl)butanamide; 4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]butanamide; CHEMBL1964895; ZINC102939835; NSC-623725; NCI60_007040"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623725	.	.	.	.	420.4	C20H15F3N2O3S	101	708	4.2	29	2	8	5	"InChI=1S/C20H15F3N2O3S/c1-11-18(29-17-9-5-4-8-14(17)24-11)15(26)10-16(27)19(28)25-13-7-3-2-6-12(13)20(21,22)23/h2-9,24H,10H2,1H3,(H,25,28)"	CC1=C(SC2=CC=CC=C2N1)C(=O)CC(=O)C(=O)NC3=CC=CC=C3C(F)(F)F	QSLYFLOUBRBPPU-UHFFFAOYSA-N
DG53033	"2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-(2-ethoxyphenyl)acetamide"	361023	"NSC623757; CHEMBL1999751; NSC-623757; 2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-(2-ethoxyphenyl)acetamide; NCI60_007072; 2-(3-chloro-1,4-dioxo-2-naphthyl)-2-cyano-N-(2-ethoxyphenyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623757	.	.	.	.	394.8	C21H15ClN2O4	96.3	738	3.9	28	1	5	5	"InChI=1S/C21H15ClN2O4/c1-2-28-16-10-6-5-9-15(16)24-21(27)14(11-23)17-18(22)20(26)13-8-4-3-7-12(13)19(17)25/h3-10,14H,2H2,1H3,(H,24,27)"	CCOC1=CC=CC=C1NC(=O)C(C#N)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl	WKZKDGZXUGVVHY-UHFFFAOYSA-N
DG53034	"2-(2-Methylanilino)benzo[f][1,3]benzothiazole-4,9-dione"	361024	"NSC623758; CHEMBL1989861; 2-(2-methylanilino)benzo[f][1,3]benzothiazole-4,9-dione; {Naphth[2,3-d]thiazole-4,9-dione,} {2-[(2-methylphenyl)amino]-}; NSC-623758; NCI60_007073; Naphth[2,9-dione, 2-[(2-methylphenyl)amino]-; 2-(2-Toluidino)naphtho[2,3-d][1,3]thiazole-4,9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623758	.	.	.	.	320.4	C18H12N2O2S	87.3	497	4.8	23	1	5	2	"InChI=1S/C18H12N2O2S/c1-10-6-2-5-9-13(10)19-18-20-14-15(21)11-7-3-4-8-12(11)16(22)17(14)23-18/h2-9H,1H3,(H,19,20)"	CC1=CC=CC=C1NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O	ZLWPEZFJCGSXES-UHFFFAOYSA-N
DG53035	"2-(4-Chloro-2-methyl-anilino)benzo[f][1,3]benzothiazole-4,9-dione"	361027	"NSC623761; CHEMBL1985522; NSC-623761; NCI60_007076; Naphth[2,9-dione, 2-[(2-chloro-4- methyl)phenyl)amino]-; 2-(4-chloro-2-methyl-anilino)benzo[f][1,3]benzothiazole-4,9-dione; Naphth[2,3-d]thiazole-4,9-dione, 2-[(2-chloro-4-methyl)phenyl)amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623761	.	.	.	.	354.8	C18H11ClN2O2S	87.3	531	5.4	24	1	5	2	"InChI=1S/C18H11ClN2O2S/c1-9-8-10(19)6-7-13(9)20-18-21-14-15(22)11-4-2-3-5-12(11)16(23)17(14)24-18/h2-8H,1H3,(H,20,21)"	CC1=C(C=CC(=C1)Cl)NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O	NULIEULDUCQMRO-UHFFFAOYSA-N
DG53036	"4-(1,3-Benzothiazol-2-yl)-1-(2,3-dimethylphenyl)piperidine-2,3,5,6-tetrone"	361038	"NSC623772; 4-(1,3-Benzothiazol-2-yl)-1-(2,3-dimethylphenyl)piperidine-2,3,5,6-tetrone; CHEMBL1974324; ZINC102941580; NSC-623772; NCI60_007087"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623772	.	.	.	.	378.4	C20H14N2O4S	113	653	3.6	27	0	6	2	"InChI=1S/C20H14N2O4S/c1-10-6-5-8-13(11(10)2)22-19(25)16(23)15(17(24)20(22)26)18-21-12-7-3-4-9-14(12)27-18/h3-9,15H,1-2H3"	CC1=C(C(=CC=C1)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3)C	KCNWPFOQXJHXCB-UHFFFAOYSA-N
DG53037	Ethyl 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate	361039	"NSC623773; ethyl 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate; 17738-62-4; ethyl 2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoacetate; SCHEMBL9365321; CHEMBL1987010; ZINC1617405; Acetic acid, [[4-chloro-3-(trifluoromethyl)phenyl]amino]oxo-, ethyl ester; AKOS008969181; NSC-623773; DA-09193; NCI60_007088; FT-0769778; N-ethoxalyl-4-chloro-3-trifluoromethylaniline; AG-690/12002020; SR-01000318443; SR-01000318443-1; ethyl [4-chloro-3-(trifluoromethyl)anilino](oxo)acetate; ethyl 2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-acetate; N-(4-Chloro-3-trifluoromethylphenyl)-2-oxoglycine, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623773	.	.	.	.	295.64	C11H9ClF3NO3	55.4	349	4	19	1	6	4	"InChI=1S/C11H9ClF3NO3/c1-2-19-10(18)9(17)16-6-3-4-8(12)7(5-6)11(13,14)15/h3-5H,2H2,1H3,(H,16,17)"	CCOC(=O)C(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F	IWLMVDYPZUGUSQ-UHFFFAOYSA-N
DG53038	Artemisetene	361042	Artemisetene; NSC623785; Isolated from leaves of Artemisia annua; NSC-623785; NCI60_007091	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623785	.	.	.	.	280.32	C15H20O5	54	489	2.7	20	0	5	0	"InChI=1S/C15H20O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8,10-11,13H,2,4-7H2,1,3H3/t8 ,10 ,11 ,13-,14 ,15 /m1/s1"	CC1CCC2C(=C)C(=O)O[C@H]3C24C1CCC(O3)(OO4)C	IGEBZMMCKFUABB-LTTCQABISA-N
DG53039	"6-(4-oxochromen-2-yl)-N-(3-pyridylmethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide"	361051	"NSC623794; CHEMBL1998828; NSC-623794; 1,4-Benzodioxin-2-carboxamide, 6-(4-oxo-4-H-1- benzopyran-2-yl)-N-(3-pyridinylmethyl)-; NCI60_007100; 1, 6-(4-oxo-4-H-1- benzopyran-2-yl)-N-(3-pyridinylmethyl)-; 6-(4-oxochromen-2-yl)-N-(3-pyridylmethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide; 6-(4-Oxo-4H-chromen-2-yl)-N-(3-pyridinylmethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide; N-[(3-Pyridyl)methyl]-6-(4-oxo-4H-1-benzopyran-2-yl)-2,3-dihydro-1,4-benzodioxin-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623794	.	.	.	.	414.4	C24H18N2O5	86.8	710	2.7	31	1	6	4	"InChI=1S/C24H18N2O5/c27-18-11-21(30-19-6-2-1-5-17(18)19)16-7-8-20-22(10-16)29-14-23(31-20)24(28)26-13-15-4-3-9-25-12-15/h1-12,23H,13-14H2,(H,26,28)"	C1C(OC2=C(O1)C=C(C=C2)C3=CC(=O)C4=CC=CC=C4O3)C(=O)NCC5=CN=CC=C5	CQMNZRRKXROANJ-UHFFFAOYSA-N
DG53040	"2,6-Dimethyl-4-(1-naphthyl)-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide"	361066	"NSC623870; CHEMBL1969575; ZINC31819773; NSC-623870; NCI60_007112; 2,6-Dimethyl-4-(1-naphthyl)-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide; 2,6-dimethyl-4-(1-naphthyl)-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623870	.	.	.	.	473.6	C31H27N3O2	70.2	824	5.8	36	3	3	5	"InChI=1S/C31H27N3O2/c1-20-27(30(35)33-23-14-5-3-6-15-23)29(26-19-11-13-22-12-9-10-18-25(22)26)28(21(2)32-20)31(36)34-24-16-7-4-8-17-24/h3-19,29,32H,1-2H3,(H,33,35)(H,34,36)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CC4=CC=CC=C43)C(=O)NC5=CC=CC=C5	OQBZERMRZYIDLG-UHFFFAOYSA-N
DG53041	Methyl 4-(4-chloro-2-methylanilino)-4-oxobutanoate	361068	NSC623872; Methyl 4-(4-chloro-2-methylanilino)-4-oxobutanoate; CHEMBL2001847; ZINC1617441; NSC-623872; NCI60_007114; methyl 4-(4-chloro-2-methyl-anilino)-4-oxo-butanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623872	.	.	.	.	255.7	C12H14ClNO3	55.4	283	1.7	17	1	3	5	"InChI=1S/C12H14ClNO3/c1-8-7-9(13)3-4-10(8)14-11(15)5-6-12(16)17-2/h3-4,7H,5-6H2,1-2H3,(H,14,15)"	CC1=C(C=CC(=C1)Cl)NC(=O)CCC(=O)OC	USCBWLOUGYDXQV-UHFFFAOYSA-N
DG53042	"3,5-Pyridinedicarboxamide, 4-(2-furanyl)-1,4-dihydro-N,N'-bis(2-methoxyphenyl)-2,6-dimethyl-"	361074	"NSC623879; CHEMBL1987981; ZINC623196; NSC-623879; 3,5-Pyridinedicarboxamide, 4-(2-furanyl)-1,4-dihydro-N,N'-bis(2-methoxyphenyl)-2,6-dimethyl-; NCI60_007121; 4-(2-furyl)-N3,N5-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623879	.	.	.	.	473.5	C27H27N3O5	102	794	3.6	35	3	6	7	"InChI=1S/C27H27N3O5/c1-16-23(26(31)29-18-10-5-7-12-20(18)33-3)25(22-14-9-15-35-22)24(17(2)28-16)27(32)30-19-11-6-8-13-21(19)34-4/h5-15,25,28H,1-4H3,(H,29,31)(H,30,32)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=CO3)C(=O)NC4=CC=CC=C4OC	BOJPYUTWNCAHQT-UHFFFAOYSA-N
DG53043	"4-(4-Isopropylphenyl)-N~3~,N~5~-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide"	361076	"NSC623881; CHEMBL2006350; ZINC644764; NSC-623881; NCI60_007123; 4-(4-Isopropylphenyl)-N~3~,N~5~-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide; 4-(4-isopropylphenyl)-N3,N5-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623881	.	.	.	.	525.6	C32H35N3O4	88.7	874	5.6	39	3	5	8	"InChI=1S/C32H35N3O4/c1-19(2)22-15-17-23(18-16-22)30-28(31(36)34-24-11-7-9-13-26(24)38-5)20(3)33-21(4)29(30)32(37)35-25-12-8-10-14-27(25)39-6/h7-19,30,33H,1-6H3,(H,34,36)(H,35,37)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=C(C=C3)C(C)C)C(=O)NC4=CC=CC=C4OC	UWJAZOIDZXXKIX-UHFFFAOYSA-N
DG53044	"4-(2-chlorophenyl)-2,6-dimethyl-N,N'-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide"	361080	"NSC623885; CHEMBL2001270; ZINC634409; STK537384; AKOS005468047; MCULE-3645256193; NSC-623885; NCI60_007127; 4-(2-chlorophenyl)-2,6-dimethyl-N,N'-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide; 4-(2-Chlorophenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide; 4-(2-chlorophenyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623885	.	.	.	.	457.9	C27H24ClN3O2	70.2	739	5.1	33	3	3	5	"InChI=1S/C27H24ClN3O2/c1-17-23(26(32)30-19-11-5-3-6-12-19)25(21-15-9-10-16-22(21)28)24(18(2)29-17)27(33)31-20-13-7-4-8-14-20/h3-16,25,29H,1-2H3,(H,30,32)(H,31,33)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3Cl)C(=O)NC4=CC=CC=C4	UWLLCNUKKMXBKH-UHFFFAOYSA-N
DG53045	"N3,N5-bis(2,5-dimethoxyphenyl)-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide"	361092	"NSC623897; CHEMBL2004614; NSC-623897; NCI60_007139; N~3~,N~5~-Bis(2,5-dimethoxyphenyl)-2,6-dimethyl-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxamide; N3,N5-bis(2,5-dimethoxyphenyl)-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623897	.	.	.	.	543.6	C31H33N3O6	107	893	4.4	40	3	7	9	"InChI=1S/C31H33N3O6/c1-18-27(30(35)33-23-16-21(37-3)12-14-25(23)39-5)29(20-10-8-7-9-11-20)28(19(2)32-18)31(36)34-24-17-22(38-4)13-15-26(24)40-6/h7-17,29,32H,1-6H3,(H,33,35)(H,34,36)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=C(C=CC(=C2)OC)OC)C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)OC)OC	XIZHRCBYZGAVAI-UHFFFAOYSA-N
DG53046	Methylcarbamic acid [1-methyl-2-(methylthio)-5-(hydroxymethyl)-1H-imidazol-4-yl]methyl ester	361110	NSC623919; CHEMBL1975007; ZINC13215963; NSC-623919; NCI60_007160; Methylcarbamic acid [1-methyl-2-(methylthio)-5-(hydroxymethyl)-1H-imidazol-4-yl]methyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623919	.	.	.	.	245.3	C9H15N3O3S	102	242	-0.4	16	2	5	5	"InChI=1S/C9H15N3O3S/c1-10-9(14)15-5-6-7(4-13)12(2)8(11-6)16-3/h13H,4-5H2,1-3H3,(H,10,14)"	CNC(=O)OCC1=C(N(C(=N1)SC)C)CO	JYCOUUFGQFYXBQ-UHFFFAOYSA-N
DG53047	[2-(tert-butyldisulfanyl)-1-methyl-5-(methylcarbamoyloxymethyl)imidazol-4-yl]methyl N-methylcarbamate	361115	MLS002701611; NSC623925; CHEMBL1719470; ZINC13215251; NSC-623925; NCI60_007166; SMR001565212	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623925	.	.	.	.	376.5	C14H24N4O4S2	145	434	1	24	2	7	9	"InChI=1S/C14H24N4O4S2/c1-14(2,3)24-23-11-17-9(7-21-12(19)15-4)10(18(11)6)8-22-13(20)16-5/h7-8H2,1-6H3,(H,15,19)(H,16,20)"	CC(C)(C)SSC1=NC(=C(N1C)COC(=O)NC)COC(=O)NC	JYWQNPPIDJENSS-UHFFFAOYSA-N
DG53048	Antineoplastic-623950	361120	NSC623950; CHEMBL2004384; ANTINEOPLASTIC-623950; NSC-623950	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623950	.	.	.	.	686.2	C40H36ClN5O4	111	1150	.	50	4	7	12	"InChI=1S/C40H35N5O4.ClH/c46-37-31-13-5-9-27-23-25-7-1-3-11-29(25)35(33(27)31)39(48)44(37)21-19-42-17-15-41-16-18-43-20-22-45-38(47)32-14-6-10-28-24-26-8-2-4-12-30(26)36(34(28)32)40(45)49;/h1-14,23-24,41-43H,15-22H2;1H"	C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C(=O)N(C4=O)CCNCCNCCNCCN5C(=O)C6=CC=CC7=CC8=CC=CC=C8C(=C76)C5=O.Cl	RUQPJRJJFTWJQK-UHFFFAOYSA-N
DG53049	NSC623951	361122	"15-[2-[2-(14,16-Dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-15-yl)ethylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;hydrochloride; NSC623951; CHEMBL1969313; NSC-623951"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623951	.	.	.	.	600.1	C36H26ClN3O4	86.8	1050	.	44	2	5	6	"InChI=1S/C36H25N3O4.ClH/c40-33-27-13-5-9-23-19-21-7-1-3-11-25(21)31(29(23)27)35(42)38(33)17-15-37-16-18-39-34(41)28-14-6-10-24-20-22-8-2-4-12-26(22)32(30(24)28)36(39)43;/h1-14,19-20,37H,15-18H2;1H"	C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C(=O)N(C4=O)CCNCCN5C(=O)C6=CC=CC7=CC8=CC=CC=C8C(=C76)C5=O.Cl	VBLNEQHSYLFNGC-UHFFFAOYSA-N
DG53050	NSC623953	361124	"15-[2-(Dimethylamino)ethyl]-8-[2-(dimethylamino)ethylimino]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one;hydrochloride; NSC623953; CHEMBL1987471; NSC-623953"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623953	.	.	.	.	441	C24H29ClN4O2	59.4	876	.	31	2	5	6	"InChI=1S/C24H28N4O2.ClH/c1-26(2)13-12-25-22-17-9-6-5-8-16(17)21-20-18(22)10-7-11-19(20)23(29)28(24(21)30)15-14-27(3)4;/h5-11,29H,12-15H2,1-4H3;1H"	CN(C)CCN=C1C2=CC=CC=C2C3=C4C1=CC=CC4=C(N(C3=O)CCN(C)C)O.Cl	MOWVDIYOEVZNOE-UHFFFAOYSA-N
DG53051	"2-[2-(Dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]-5-nitrobenzo[de]isoquinoline-1,3-dione;hydrochloride"	361126	NSC623954; CHEMBL1984118; NSC-623954	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623954	.	.	.	.	435.9	C20H26ClN5O4	102	635	.	30	2	7	7	"InChI=1S/C20H25N5O4.ClH/c1-22(2)9-8-21-18-13-6-5-7-14-17(13)15(12-16(18)25(28)29)20(27)24(19(14)26)11-10-23(3)4;/h5-7,12,21H,8-11H2,1-4H3;1H"	CN(C)CCNC1=C(C=C2C3=C1C=CC=C3C(=O)N(C2=O)CCN(C)C)[N+](=O)[O-].Cl	IHDBZYAJKCATMZ-UHFFFAOYSA-N
DG53052	Diethyl 2-(((1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxoethyl)amino)methylene)malonate	361132	NSC623958; Diethyl 2-(((1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxoethyl)amino)methylene)malonate; CHEMBL1969071; NSC-623958; NCI60_007177; diethyl 2-[[[1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]amino]methylene]propanedioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623958	.	.	.	.	388.4	C20H24N2O6	107	571	3.7	28	2	7	12	"InChI=1S/C20H24N2O6/c1-4-27-18(23)15(19(24)28-5-2)12-22-17(20(25)26-3)10-13-11-21-16-9-7-6-8-14(13)16/h6-9,11-12,17,21-22H,4-5,10H2,1-3H3"	CCOC(=O)C(=CNC(CC1=CNC2=CC=CC=C21)C(=O)OC)C(=O)OCC	SJWOGAJOJUFWFM-UHFFFAOYSA-N
DG53053	"1,1'-(Buta-1,3-diene-2,3-diyldisulfonyl)bis(2,4-dinitrobenzene)"	361138	"NSC623970; CHEMBL1981440; 1,1'-(Buta-1,3-diene-2,3-diyldisulfonyl)bis(2,4-dinitrobenzene); NSC-623970; NCI60_007182; 1-[2-(2,4-dinitrophenyl)sulfonyl-1-methylene-allyl]sulfonyl-2,4-dinitro-benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623970	.	.	.	.	514.4	C16H10N4O12S2	268	1030	2.3	34	0	12	5	"InChI=1S/C16H10N4O12S2/c1-9(33(29,30)15-5-3-11(17(21)22)7-13(15)19(25)26)10(2)34(31,32)16-6-4-12(18(23)24)8-14(16)20(27)28/h3-8H,1-2H2"	C=C(C(=C)S(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]	BBSBDQDGVXWKOT-UHFFFAOYSA-N
DG53054	"2-(4-Bromophenyl)-4,5-bis(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane"	361146	"NSC623978; CHEMBL1974826; 2-(4-Bromophenyl)-4,5-bis(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane; 4,5-bis(benzenesulfonyl)-2-(4-bromophenyl)-7-oxa-1-azabicyclo[2.2.1]heptane; NSC-623978; NCI60_007189"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623978	.	.	.	.	534.4	C23H20BrNO5S2	97.5	878	4.3	32	0	6	5	"InChI=1S/C23H20BrNO5S2/c24-18-13-11-17(12-14-18)21-15-23(32(28,29)20-9-5-2-6-10-20)22(16-25(21)30-23)31(26,27)19-7-3-1-4-8-19/h1-14,21-22H,15-16H2"	C1C(N2CC(C1(O2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br	MKFFHYSGFQRGCG-UHFFFAOYSA-N
DG53055	"2,5-Methano-1,3,4-benzodioxazepine, 4,5-dihydro-10-methylene-4-phenyl-"	361149	"NSC623981; methylene(phenyl)[ ]; CHEMBL1976449; 2,5-Methano-1,3,4-benzodioxazepine, 4,5-dihydro-10-methylene-4-phenyl-; NSC-623981; NCI60_007191"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623981	.	.	.	.	251.28	C16H13NO2	21.7	364	3.5	19	0	3	1	"InChI=1S/C16H13NO2/c1-11-15-13-9-5-6-10-14(13)18-16(11)19-17(15)12-7-3-2-4-8-12/h2-10,15-16H,1H2"	C=C1C2C3=CC=CC=C3OC1ON2C4=CC=CC=C4	RISQKOIRISDKFS-UHFFFAOYSA-N
DG53056	"Spiro[cyclopropane-1,2'-[7]oxabicyclo[2.2.1]hept[5]ene]-6'-carboxylic acid, 1'-methyl-3'-oxo-, methyl ester"	361152	"NSC623984; CHEMBL1984980; NSC-623984; NCI60_007193; Spiro[cyclopropane-1,2'-[7]oxabicyclo[2.2.1]hept[5]ene]-6'-carboxylic acid, 1'-methyl-3'-oxo-, methyl ester; 1-Methyl-3-oxospiro[7-oxabicyclo[2.2.1]hept-5-ene-2,1'-cyclopropane]-6-carboxylic acid methyl ester; methyl 4-methyl-2-oxo-spiro[7-oxabicyclo[2.2.1]hept-5-ene-3,1'-cyclopropane]-5-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623984	.	.	.	.	208.21	C11H12O4	52.6	405	0.2	15	0	4	2	"InChI=1S/C11H12O4/c1-10-6(9(13)14-2)5-7(15-10)8(12)11(10)3-4-11/h5,7H,3-4H2,1-2H3"	CC12C(=CC(O1)C(=O)C23CC3)C(=O)OC	WPIVZURZDRJALN-UHFFFAOYSA-N
DG53057	"5-(Benzenesulfonyl)-5-[5-(benzenesulfonyl)-3,4-dihydropyrazol-5-yl]-3,4-dihydropyrazole"	361156	"NSC623988; 3,3'-Bi-3H-pyrazole, 4,4',5,5'-tetrahydro-3,3'-bis(phenylsulfonyl)-; CHEMBL1973535; NSC-623988; 5-(benzenesulfonyl)-5-[5-(benzenesulfonyl)-3,4-dihydropyrazol-5-yl]-3,4-dihydropyrazole; NCI60_007197; 3,3'-Bis(phenylsulfonyl)-4,4',5,5'-tetrahydro-3,3'-bi[3H-pyrazole]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623988	.	.	.	.	418.5	C18H18N4O4S2	135	775	2.3	28	0	8	5	"InChI=1S/C18H18N4O4S2/c23-27(24,15-7-3-1-4-8-15)17(11-13-19-21-17)18(12-14-20-22-18)28(25,26)16-9-5-2-6-10-16/h1-10H,11-14H2"	C1CN=NC1(C2(CCN=N2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4	VVNMPAFXHDPBIP-UHFFFAOYSA-N
DG53058	"1,4-Dibenzyl-6-(phenylsulfonyl)-1,4-diazepane"	361157	"NSC623989; 1,4-Dibenzyl-1,4-diazepan-6-yl phenyl sulfone; 1,4-Dibenzyl-6-(phenylsulfonyl)-1,4-diazepane; 6-(benzenesulfonyl)-1,4-dibenzyl-1,4-diazepane; CHEMBL1981350; NSC-623989; NCI60_007198"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623989	.	.	.	.	420.6	C25H28N2O2S	49	569	4.1	30	0	4	6	"InChI=1S/C25H28N2O2S/c28-30(29,24-14-8-3-9-15-24)25-20-26(18-22-10-4-1-5-11-22)16-17-27(21-25)19-23-12-6-2-7-13-23/h1-15,25H,16-21H2"	C1CN(CC(CN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4	SZDFOTCYTLGZIY-UHFFFAOYSA-N
DG53059	"2,2-Dichlorocyclopropyl 4-methylphenyl sulfone"	361162	"NSC623993; 2,2-Dichlorocyclopropyl 4-methylphenyl sulfone; 1-((2,2-Dichlorocyclopropyl)sulfonyl)-4-methylbenzene; CHEMBL1970741; NSC-623993; NCI60_007201; 1-(2,2-dichlorocyclopropyl)sulfonyl-4-methyl-benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623993	.	.	.	.	265.16	C10H10Cl2O2S	42.5	337	2.9	15	0	2	2	"InChI=1S/C10H10Cl2O2S/c1-7-2-4-8(5-3-7)15(13,14)9-6-10(9,11)12/h2-5,9H,6H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)C2CC2(Cl)Cl	XGMYQAUNQSQQER-UHFFFAOYSA-N
DG53060	"1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(4-methoxyphenyl)-"	361181	"NSC624053; 1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(4-methoxyphenyl)-; CHEMBL1983479; NSC-624053; NCI60_007208; 1-(4-methoxyphenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole; Methyl 4-(3H-[1,3]thiazolo[3,4-a]benzimidazol-1-yl)phenyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624053	.	.	.	.	282.4	C16H14N2OS	52.4	345	3.4	20	0	3	2	"InChI=1S/C16H14N2OS/c1-19-12-8-6-11(7-9-12)16-18-14-5-3-2-4-13(14)17-15(18)10-20-16/h2-9,16H,10H2,1H3"	COC1=CC=C(C=C1)C2N3C(=NC4=CC=CC=C43)CS2	YQNODDHPJUHDFQ-UHFFFAOYSA-N
DG53061	10-Oxabenzo[def]chrysen-9-one	361185	"10-Oxabenzo[def]chrysen-9-one; 10-Oxabenzo(def)chrysen-9-one; CHEBI:81632; NSC624114; pyreno[1,2-b]pyran-9-one; CHEMBL1970575; SCHEMBL19410860; 9H-Pyreno[1,2-b]pyran-9-one; 9H-Phenaleno[1,9-gh]chromen-9-one; NSC-624114; NCI60_007210; C18281; Q27155520"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624114	.	.	.	.	270.3	C19H10O2	26.3	482	5	21	0	2	0	InChI=1S/C19H10O2/c20-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(19(14)21-16)18(13)17(11)12/h1-10H	C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4OC(=O)C=C5)C=C2	NHGPSFSQAVBCRE-UHFFFAOYSA-N
DG53062	"1-Oxido-1,2-dithiane-4,5-diyl bis(4-methylbenzenesulfonate)"	361194	"NSC624157; CHEMBL2001770; SCHEMBL15725677; 1-Oxido-1,2-dithiane-4,5-diyl bis(4-methylbenzenesulfonate); NSC-624157; NCI60_007217; [1-oxo-5-(p-tolylsulfonyloxy)dithian-4-yl] 4-methylbenzenesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624157	.	.	.	.	476.6	C18H20O7S4	165	768	2.5	29	0	9	6	"InChI=1S/C18H20O7S4/c1-13-3-7-15(8-4-13)28(20,21)24-17-11-26-27(19)12-18(17)25-29(22,23)16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)OC2CSS(=O)CC2OS(=O)(=O)C3=CC=C(C=C3)C	ZBQZGIZULLRIKY-UHFFFAOYSA-N
DG53063	"1,5-Dihydro-2,3,4-benzotrithiepin-2-oxide"	361198	"NSC624162; 1,5-Dihydro-2,3,4-benzotrithiepin-2-oxide; CHEMBL1969949; SCHEMBL23259135; NSC-624162; NCI60_007222; 1,5-Dihydro-2,3,4-benzotrithiepine 2-oxide; 1,5-Dihydro-2,3,4-benzotrithiepine 2-oxide #; 1,5-dihydro-2$l^{4},3,4-benzotrithiepine 2-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624162	.	.	.	.	216.4	C8H8OS3	86.9	183	1.5	12	0	4	0	"InChI=1S/C8H8OS3/c9-12-6-8-4-2-1-3-7(8)5-10-11-12/h1-4H,5-6H2"	C1C2=CC=CC=C2CS(=O)SS1	JZSROASPVXWQLK-UHFFFAOYSA-N
DG53064	2-Methoxysulfinylethyl 2-[[2-(2-methoxysulfinylethoxycarbonyl)phenyl]disulfanyl]benzoate	361230	"NSC624187; NSC-624187; CHEMBL333765; 2-methoxysulfinylethyl 2-[[2-(2-methoxysulfinylethoxycarbonyl)phenyl]disulfanyl]benzoate; NCI60_007247; Bis[2-(methoxysulfinyl)ethyl] 2,2'-dithiodibenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624187	.	.	.	.	518.7	C20H22O8S4	194	593	2.7	32	0	12	15	"InChI=1S/C20H22O8S4/c1-25-31(23)13-11-27-19(21)15-7-3-5-9-17(15)29-30-18-10-6-4-8-16(18)20(22)28-12-14-32(24)26-2/h3-10H,11-14H2,1-2H3"	COS(=O)CCOC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)OCCS(=O)OC	GOXHAPZOFRETRJ-UHFFFAOYSA-N
DG53065	"1-Decanamine, N-[2-[[(4-chlorophenyl)methyl]dithio]ethyl]-, hydrochloride (1:1)"	361263	"NSC624206; NSC-624206; NSC 624206; 1-Decanamine, N-[2-[[(4-chlorophenyl)methyl]dithio]ethyl]-, hydrochloride (1:1); C19H33Cl2NS2; CHEMBL1986134; AOB3010; SYN5088; CCG-35619; AKOS024458455; AS-16452; HY-103436; CS-0027884; A899106; N-[2-[[(4-Chlorophenyl)methyl]dithio]ethyl]-1-decanamine hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624206	.	.	.	.	410.5	C19H33Cl2NS2	62.6	246	.	24	2	3	15	"InChI=1S/C19H32ClNS2.ClH/c1-2-3-4-5-6-7-8-9-14-21-15-16-22-23-17-18-10-12-19(20)13-11-18;/h10-13,21H,2-9,14-17H2,1H3;1H"	CCCCCCCCCCNCCSSCC1=CC=C(C=C1)Cl.Cl	JQHUAYXPNPTQRO-UHFFFAOYSA-N
DG53066	"2-(Ethoxymethyl)-5-hydroxy-8,8-dimethyl-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-4-one"	361266	"NSC624208; 2-(Ethoxymethyl)-5-hydroxy-8,8-dimethyl-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-4-one; CHEMBL1966817; NSC-624208; 2-(ethoxymethyl)-5-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one; NCI60_007267"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624208	.	.	.	.	304.34	C17H20O5	65	470	2.7	22	1	5	3	"InChI=1S/C17H20O5/c1-4-20-9-10-7-12(18)15-13(19)8-14-11(16(15)21-10)5-6-17(2,3)22-14/h7-8,19H,4-6,9H2,1-3H3"	CCOCC1=CC(=O)C2=C(O1)C3=C(C=C2O)OC(CC3)(C)C	HDAQSDAAQZQLJN-UHFFFAOYSA-N
DG53067	"2,2,8,8-Tetramethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-6-one"	361271	"NSC624213; 2,2,8,8-Tetramethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-6-one; CHEMBL1983048; ZINC1617592; 2,2,8,8-tetramethyl-6,7-dihydro-3H-pyrano[3,2-g]chromen-4-one; NSC-624213; NCI60_007272"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624213	.	.	.	.	260.329	C16H20O3	35.5	386	3	19	0	3	0	"InChI=1S/C16H20O3/c1-15(2)6-5-10-7-11-12(17)9-16(3,4)19-14(11)8-13(10)18-15/h7-8H,5-6,9H2,1-4H3"	CC1(CCC2=CC3=C(C=C2O1)OC(CC3=O)(C)C)C	ULAUJTKIJCQRNQ-UHFFFAOYSA-N
DG53068	2-Cyclohexylphenyl phenylcarbamate	361278	NSC624221; 2-Cyclohexylphenyl phenylcarbamate; (2-cyclohexylphenyl) N-phenylcarbamate; CHEMBL1987456; ZINC1617599; NSC-624221; NCI60_007274	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624221	.	.	.	.	295.4	C19H21NO2	38.3	345	5.6	22	1	2	4	"InChI=1S/C19H21NO2/c21-19(20-16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)15-9-3-1-4-10-15/h2,5-8,11-15H,1,3-4,9-10H2,(H,20,21)"	C1CCC(CC1)C2=CC=CC=C2OC(=O)NC3=CC=CC=C3	HCFJXSRBRJQJCJ-UHFFFAOYSA-N
DG53069	4-Methyl-1-(4-methylphenoxy)-2-nitro-benzene	361284	NSC624227; CHEMBL1969671; ZINC1617602; NSC-624227; NCI60_007280; 4-methyl-1-(4-methylphenoxy)-2-nitro-benzene; Hydroxy(5-methyl-2-(4-methylphenoxy)phenyl)azane oxide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624227	.	.	.	.	243.26	C14H13NO3	55	281	3.7	18	0	3	2	"InChI=1S/C14H13NO3/c1-10-3-6-12(7-4-10)18-14-8-5-11(2)9-13(14)15(16)17/h3-9H,1-2H3"	CC1=CC=C(C=C1)OC2=C(C=C(C=C2)C)[N+](=O)[O-]	GAELYEOYUVALJL-UHFFFAOYSA-N
DG53070	2-Nitrophenyl 4-methoxyphenyl sulfide	361291	NSC624233; 1-(4-methoxyphenyl)sulfanyl-2-nitro-benzene; 2-Nitrophenyl 4-methoxyphenyl sulfide; (4-methoxyphenyl)(2-nitrophenyl)sulfane; 2NO2Ph-S-4MeOPh; SCHEMBL8964795; CHEMBL1980860; AKOS008714966; NSC-624233; 1-(2-Nitrophenylthio)-4-methoxybenzene; NCI60_007286; Hydroxy(2-((4-methoxyphenyl)thio)phenyl)azane oxide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624233	.	.	.	.	261.3	C13H11NO3S	80.4	274	3.8	18	0	4	3	"InChI=1S/C13H11NO3S/c1-17-10-6-8-11(9-7-10)18-13-5-3-2-4-12(13)14(15)16/h2-9H,1H3"	COC1=CC=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-]	XTICKEODMBAWOV-UHFFFAOYSA-N
DG53071	"Benzamide, N-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-nitrophenyl)amino)carbonyl)-2-nitro-"	361311	"NSC624285; Benzamide, N-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-nitrophenyl)amino)carbonyl)-2-nitro-; 103829-00-1; Benzamide, N-[[[4-[(5-chloro-2-pyrimidinyl)oxy]-3-nitrophenyl]amino]carbonyl]-2-nitro-; Neuro_000251; SCHEMBL9629002; CHEMBL1977091; DTXSID10908624; N-(2-Nitrobenzoyl)-N'-(4-(5-chloro-2-pyrimidinyloxy)-3-nitrophenyl)urea; NCS-624285; NSC-624285; N-(((4-((5-Chloro-2-pyrimidinyl)oxy)-3-nitrophenyl)amino)carbonyl)-2-nitrobenzamide; NCI60_007296; Benzamide, N-[[[4-[(5-chloro-2-pyrimidinyl)oxy]-3- nitrophenyl]amino]carbonyl]-2-nitro-; N-[[4-(5-chloropyrimidin-2-yl)oxy-3-nitro-phenyl]carbamoyl]-2-nitro-benzamide; N-[({4-[(5-Chloropyrimidin-2-yl)oxy]-3-nitrophenyl}imino)(hydroxy)methyl]-2-nitrobenzene-1-carboximidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624285	.	.	.	.	458.8	C18H11ClN6O7	185	709	3.3	32	2	9	4	"InChI=1S/C18H11ClN6O7/c19-10-8-20-18(21-9-10)32-15-6-5-11(7-14(15)25(30)31)22-17(27)23-16(26)12-3-1-2-4-13(12)24(28)29/h1-9H,(H2,22,23,26,27)"	C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Cl)[N+](=O)[O-])[N+](=O)[O-]	HUXRBUKWTWHLEZ-UHFFFAOYSA-N
DG53072	"N~1~,N~2~-Bis(1-naphthylmethylene)-1,2-ethanediamine"	361325	"NSC624351; SCHEMBL5588598; SCHEMBL5693725; CHEMBL1983494; NSC-624351; NCI60_007304; N,N'-Ethylenebisnaphthalene-1-methaneimine; N~1~,N~2~-Bis(1-naphthylmethylene)-1,2-ethanediamine; n1,n2-bis((naphthalen-1-yl)-methylene) ethane-1,2-diamine; 1-(1-naphthyl)-N-[2-[(E)-1-naphthylmethyleneamino]ethyl]methanimine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624351	.	.	.	.	336.4	C24H20N2	24.7	439	5.3	26	0	2	5	"InChI=1S/C24H20N2/c1-3-13-23-19(7-1)9-5-11-21(23)17-25-15-16-26-18-22-12-6-10-20-8-2-4-14-24(20)22/h1-14,17-18H,15-16H2"	C1=CC=C2C(=C1)C=CC=C2C=NCCN=CC3=CC=CC4=CC=CC=C43	HEDFJWUXBLLAKT-UHFFFAOYSA-N
DG53073	"5,9-Methano-4aH-benzocyclohepten-4a-ol, decahydro-10-methylene-9a-(methylsulfonyl)-"	361326	"NSC624352; methylene(methylsulfonyl)[ ]ol; CHEMBL1969783; NSC-624352; 5,9-Methano-4aH-benzocyclohepten-4a-ol, decahydro-10-methylene-9a-(methylsulfonyl)-; NCI60_007305"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624352	.	.	.	.	270.39	C14H22O3S	62.8	490	1.8	18	1	3	1	"InChI=1S/C14H22O3S/c1-10-11-6-5-7-12(10)14(18(2,16)17)9-4-3-8-13(11,14)15/h11-12,15H,1,3-9H2,2H3"	CS(=O)(=O)C12CCCCC1(C3CCCC2C3=C)O	YOPIYYKFENDUOM-UHFFFAOYSA-N
DG53074	"4,4-Dibromo-6-methyltricyclo[4.4.0.02,7]decan-3-one"	361332	"NSC624358; dibromo(methyl)[ ]one; CHEMBL1992638; NSC-624358; NCI60_007310; Tricyclo[4.4.0.0(2, 4,4-dibromo-2-methyl-; 4,4-Dibromo-6-methyltricyclo[4.4.0.0~2,7~]decan-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624358	.	.	.	.	322.04	C11H14Br2O	17.1	298	4	14	0	1	0	"InChI=1S/C11H14Br2O/c1-10-5-11(12,13)9(14)8-6(10)3-2-4-7(8)10/h6-8H,2-5H2,1H3"	CC12CC(C(=O)C3C1CCCC23)(Br)Br	BCMYWQPYOXUYLB-UHFFFAOYSA-N
DG53075	"4-oxo-2,3,5,6,7,8-hexahydro-1H-naphthalene-1-carboxylic acid"	361358	"NSC624384; CHEMBL1989214; 4-Oxo-1,2,3,4,5,6,7,8-octahydro-1-naphthalenecarboxylic acid; 4-oxo-2,3,5,6,7,8-hexahydro-1H-naphthalene-1-carboxylic acid; NSC-624384; NCI60_007334"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624384	.	.	.	.	194.23	C11H14O3	54.4	315	1.1	14	1	3	1	"InChI=1S/C11H14O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h9H,1-6H2,(H,13,14)"	C1CCC2=C(C1)C(CCC2=O)C(=O)O	PEPDJWVHADLIQY-UHFFFAOYSA-N
DG53076	NSC624392	361366	"ethyl N-[1-[2-[6-[[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl-(2-hydroxyethyl)carbamoyl]amino]hexylcarbamoyl-(2-hydroxyethyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate; NSC624392; CHEMBL1964832; ZINC95550255; NSC-624392; NCI60_007342"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624392	.	.	.	.	796.8	C32H48N10O14	315	1440	-1.9	56	8	14	23	"InChI=1S/C32H48N10O14/c1-3-55-31(53)37-25(47)21-19-41(29(51)35-23(21)45)13-11-39(15-17-43)27(49)33-9-7-5-6-8-10-34-28(50)40(16-18-44)12-14-42-20-22(24(46)36-30(42)52)26(48)38-32(54)56-4-2/h19-20,43-44H,3-18H2,1-2H3,(H,33,49)(H,34,50)(H,35,45,51)(H,36,46,52)(H,37,47,53)(H,38,48,54)"	CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCN(CCO)C(=O)NCCCCCCNC(=O)N(CCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC)CCO	DHQHODFGABDXEC-UHFFFAOYSA-N
DG53077	"2-Hydroxy-3-((8-hydroxy-7-quinolinyl)(4-methoxyphenyl)methyl)-6-isopropyl-2,4,6-cycloheptatrien-1-one"	361375	"NSC624401; CHEMBL18916; NSC-624401; NCI60_007345; 2-Hydroxy-3-((8-hydroxy-7-quinolinyl)(4-methoxyphenyl)methyl)-6-isopropyl-2,4,6-cycloheptatrien-1-one; 2-hydroxy-3-[(8-hydroxy-7-quinolyl)-(4-methoxyphenyl)methyl]-6-isopropyl-cyclohepta-2,4,6-trien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624401	.	.	.	.	427.5	C27H25NO4	79.6	775	4.9	32	2	5	5	"InChI=1S/C27H25NO4/c1-16(2)19-9-13-21(26(30)23(29)15-19)24(17-6-10-20(32-3)11-7-17)22-12-8-18-5-4-14-28-25(18)27(22)31/h4-16,24,31H,1-3H3,(H,29,30)"	CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC=C(C=C2)OC)C3=C(C4=C(C=CC=N4)C=C3)O)O	FEMXFSMHWCFXMA-UHFFFAOYSA-N
DG53078	"5,7-Dihydroxy-6-((2-hydroxy-5-isopropyl-3-oxo-1,4,6-cycloheptatrien-1-yl)(4-methoxyphenyl)methyl)-2-phenyl-4H-chromen-4-one"	361382	"NSC624406; CHEMBL18932; NSC-624406; NCI60_007347; 5,7-Dihydroxy-6-((2-hydroxy-5-isopropyl-3-oxo-1,4,6-cycloheptatrien-1-yl)(4-methoxyphenyl)methyl)-2-phenyl-4H-chromen-4-one; 5,7-dihydroxy-6-[(2-hydroxy-5-isopropyl-3-oxo-cyclohepta-1,4,6-trien-1-yl)-(4-methoxyphenyl)methyl]-2-phenyl-chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624406	.	.	.	.	536.6	C33H28O7	113	1080	6.1	40	3	7	6	"InChI=1S/C33H28O7/c1-18(2)21-11-14-23(32(37)26(36)15-21)29(20-9-12-22(39-3)13-10-20)31-25(35)17-28-30(33(31)38)24(34)16-27(40-28)19-7-5-4-6-8-19/h4-18,29,35,38H,1-3H3,(H,36,37)"	CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC=C(C=C2)OC)C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=CC=C5)O)O	NITWTRKENZMDSS-UHFFFAOYSA-N
DG53079	"5-Methyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	361385	"NSC624409; 5-Methyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; CHEMBL1990020; 5-methyl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione; NSC-624409; NCI60_007350"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624409	.	.	.	.	254.28	C15H14N2O2	62	436	1.6	19	2	2	0	"InChI=1S/C15H14N2O2/c1-7-6-9-12(15(19)17-14(9)18)13-11(7)8-4-2-3-5-10(8)16-13/h2-5,7,9,12,16H,6H2,1H3,(H,17,18,19)"	CC1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)NC2=O	OLOSNFPZLRYELF-UHFFFAOYSA-N
DG53080	"12-Benzyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione"	361387	"NSC624411; 12-Benzyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione; 12-benzylnaphtho[3,2-a]carbazole-5,13-dione; CHEMBL1983425; NSC-624411; NCI60_007352"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624411	.	.	.	.	387.4	C27H17NO2	39.1	682	5.9	30	0	2	2	"InChI=1S/C27H17NO2/c29-26-20-11-4-5-12-21(20)27(30)24-22(26)15-14-19-18-10-6-7-13-23(18)28(25(19)24)16-17-8-2-1-3-9-17/h1-15H,16H2"	C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)C6=CC=CC=C6C5=O	XNYJGKHSDWJGMA-UHFFFAOYSA-N
DG53081	1-Benzyl-3-[1-(1-benzylindol-3-yl)-1-methyl-ethyl]indole	361388	"NSC624412; CHEMBL1974654; ZINC1617698; NSC-624412; NCI60_007353; 3,3'-Isopropylidenebis(1-benzyl-1H-indole); 1-benzyl-3-[1-(1-benzylindol-3-yl)-1-methyl-ethyl]indole; 1H-Indole, 3,3'-(1-methylethylidene)bis[1-(phenylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624412	.	.	.	.	454.6	C33H30N2	9.9	619	8.1	35	0	0	6	"InChI=1S/C33H30N2/c1-33(2,29-23-34(21-25-13-5-3-6-14-25)31-19-11-9-17-27(29)31)30-24-35(22-26-15-7-4-8-16-26)32-20-12-10-18-28(30)32/h3-20,23-24H,21-22H2,1-2H3"	CC(C)(C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)C4=CN(C5=CC=CC=C54)CC6=CC=CC=C6	ZEQAMDLBQXIIDY-UHFFFAOYSA-N
DG53082	"6-Cyano-N-(2,6-dimethylphenyl)-5-oxo-6-phenylhexanamide"	361452	"NSC624474; CHEMBL1965800; 6-Cyano-N-(2,6-dimethylphenyl)-5-oxo-6-phenylhexanamide; NSC-624474; NCI60_007415; 6-cyano-N-(2,6-dimethylphenyl)-5-oxo-6-phenyl-hexanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624474	.	.	.	.	334.4	C21H22N2O2	70	491	3.4	25	1	3	7	"InChI=1S/C21H22N2O2/c1-15-8-6-9-16(2)21(15)23-20(25)13-7-12-19(24)18(14-22)17-10-4-3-5-11-17/h3-6,8-11,18H,7,12-13H2,1-2H3,(H,23,25)"	CC1=C(C(=CC=C1)C)NC(=O)CCCC(=O)C(C#N)C2=CC=CC=C2	UABACJFPWNRKAW-UHFFFAOYSA-N
DG53083	NSC624523	361486	"Spiro[cyclopent[i]indolizine-2(1H),2'-[1,3]dioxolane]-6(7H)-thione, hexahydro-7-(1-methyl-2-propenyl)-7-[3-(phenylmethoxy)propyl]-; NSC624523; NSC-624523; NCI60_007443; Spiro[cyclopent[i]indolizine-2(1H),2'-[1,3]dioxolane]-6(7H)-thione, hexahydro-7-(1-methyl-2-propenyl)-7-[3-(phenylmethoxy)propyl]-; 7'-(3-benzyloxypropyl)-7'-(1-methylallyl)spiro[1,3-dioxolane-2,2'-3,4,7a,8,9,10-hexahydro-1H-cyclopenta[i]indolizine]-6'-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624523	.	.	.	.	455.7	C27H37NO3S	63	701	4.3	32	0	4	8	"InChI=1S/C27H37NO3S/c1-3-21(2)27(13-8-16-29-19-22-9-5-4-6-10-22)23-11-7-12-25(23)20-26(30-17-18-31-26)14-15-28(25)24(27)32/h3-6,9-10,21,23H,1,7-8,11-20H2,2H3"	CC(C=C)C1(C2CCCC23CC4(CCN3C1=S)OCCO4)CCCOCC5=CC=CC=C5	IQQSFMMVNDTVMW-UHFFFAOYSA-N
DG53084	"Benzamide, N-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-(trifluoromethyl)phenyl)amino)carbonyl)-2-nitro-"	361500	"NSC624544; NSC-624544; Benzamide, N-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-(trifluoromethyl)phenyl)amino)carbonyl)-2-nitro-; 102126-86-3; Benzamide, N-[[[4-[(5-chloro-2-pyrimidinyl)oxy]-3-(trifluoromethyl)phenyl]amino]carbonyl]-2-nitro-; CHEMBL2002481; SCHEMBL10443371; NITRO TRIFLUORO BENZYLUREA; DTXSID20907108; ZINC585630; N-(2-Nitrobenzoyl)-N'-(4-(5-chloro-2-pyrimidinyloxy)-3-trifluoromethylphenyl)urea; NCI60_007450; N-[[4-(5-chloropyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-nitro-benzamide; Benzamide, N-[[[4-[(5-chloro-2-pyrimidinyl)oxy]-3- (trifluoromethyl)phenyl]amino]carbonyl]-2-nitro-; N-[({4-[(5-Chloropyrimidin-2-yl)oxy]-3-(trifluoromethyl)phenyl}imino)(hydroxy)methyl]-2-nitrobenzene-1-carboximidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624544	.	.	.	.	481.8	C19H11ClF3N5O5	139	717	4.4	33	2	10	4	"InChI=1S/C19H11ClF3N5O5/c20-10-8-24-18(25-9-10)33-15-6-5-11(7-13(15)19(21,22)23)26-17(30)27-16(29)12-3-1-2-4-14(12)28(31)32/h1-9H,(H2,26,27,29,30)"	C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Cl)C(F)(F)F)[N+](=O)[O-]	ICDRYYPOSXDURK-UHFFFAOYSA-N
DG53085	"Benzamide, N-[[[4-[(5-chloro-2-pyrimidinyl)oxy]-3-methylphenyl]amino]carbonyl]-2-nitro-"	361501	"NSC624545; NSC-624545; CHEMBL1992357; SCHEMBL10495508; NCI60_007451; Benzamide, N-[[[4-[(5-chloro-2-pyrimidinyl)oxy]-3- methylphenyl]amino]carbonyl]-2-nitro-; Benzamide, N-[[[4-[(5-chloro-2-pyrimidinyl)oxy]-3-methylphenyl]amino]carbonyl]-2-nitro-; N-((4-((5-Chloropyrimidin-2-yl)oxy)-3-methylphenyl)carbamoyl)-2-nitrobenzamide; N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-2-nitro-benzamide; 111986-19-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624545	.	.	.	.	427.8	C19H14ClN5O5	139	625	3.9	30	2	7	4	"InChI=1S/C19H14ClN5O5/c1-11-8-13(6-7-16(11)30-19-21-9-12(20)10-22-19)23-18(27)24-17(26)14-4-2-3-5-15(14)25(28)29/h2-10H,1H3,(H2,23,24,26,27)"	CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OC3=NC=C(C=N3)Cl	SRCYRSNCOKJWQQ-UHFFFAOYSA-N
DG53086	Acylurea	361502	"NSC624546; ACYLUREA; CHEMBL2003418; NCI60_007452; Benzamide, N-[[[3-[(5-chloro-2-pyrimidinyl)oxy]-4- ethylphenyl]amino]carbonyl]-2-nitro-; Benzamide, N-[[[3-[(5-chloro-2-pyrimidinyl)oxy]-4-ethylphenyl]amino]carbonyl]-2-nitro-; N-[[3-(5-chloropyrimidin-2-yl)oxy-4-ethyl-phenyl]carbamoyl]-2-nitro-benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624546	.	.	.	.	441.8	C20H16ClN5O5	139	640	4.3	31	2	7	5	"InChI=1S/C20H16ClN5O5/c1-2-12-7-8-14(9-17(12)31-20-22-10-13(21)11-23-20)24-19(28)25-18(27)15-5-3-4-6-16(15)26(29)30/h3-11H,2H2,1H3,(H2,24,25,27,28)"	CCC1=C(C=C(C=C1)NC(=O)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OC3=NC=C(C=N3)Cl	FWQBQIPETMKPHV-UHFFFAOYSA-N
DG53087	"Benzamide, N-[[[3-[(5-chloro-2-pyrimidinyl)oxy]-4-methylphenyl]amino]carbonyl]-2,4-dinitro-"	361503	"NSC624547; CHEMBL1972809; NCI60_007453; N-[[3-(5-chloropyrimidin-2-yl)oxy-4-methyl-phenyl]carbamoyl]-2,4-dinitro-benzamide; Benzamide, N-[[[3-[(5-chloro-2-pyrimidinyl)oxy]-4-methylphenyl]amino]carbonyl]-2,4-dinitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624547	.	.	.	.	472.8	C19H13ClN6O7	185	739	3.7	33	2	9	4	"InChI=1S/C19H13ClN6O7/c1-10-2-3-12(6-16(10)33-19-21-8-11(20)9-22-19)23-18(28)24-17(27)14-5-4-13(25(29)30)7-15(14)26(31)32/h2-9H,1H3,(H2,23,24,27,28)"	CC1=C(C=C(C=C1)NC(=O)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=NC=C(C=N3)Cl	SZAXVQXCAWBQNQ-UHFFFAOYSA-N
DG53088	Isopropyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate	361504	"NSC624575; UC31; SCHEMBL8930009; CHEMBL1977352; ZINC1617773; NSC-624575; NCI60_007455; isopropyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate; Isopropyl, 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate; 1-Methylethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate; 1-Methylethyl 2-chloro-5-[(2-methoxybenzoyl) amino]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624575	.	.	.	.	347.8	C18H18ClNO4	64.599	443	4	24	1	4	6	"InChI=1S/C18H18ClNO4/c1-11(2)24-18(22)14-10-12(8-9-15(14)19)20-17(21)13-6-4-5-7-16(13)23-3/h4-11H,1-3H3,(H,20,21)"	CC(C)OC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2OC)Cl	NGTXXSPAQKTCOA-UHFFFAOYSA-N
DG53089	"dimethylcarbamoyloxymethyl N,N-dimethylcarbamate"	361531	NSC624656; SCHEMBL2965145; CHEMBL2001038; ZINC1617790; NSC-624656; NCI60_007474	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624656	.	.	.	.	190.2	C7H14N2O4	59.1	171	0.1	13	0	4	4	"InChI=1S/C7H14N2O4/c1-8(2)6(10)12-5-13-7(11)9(3)4/h5H2,1-4H3"	CN(C)C(=O)OCOC(=O)N(C)C	QERHPSLHPVIYLU-UHFFFAOYSA-N
DG53090	"1-benzhydryl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline"	361533	NSC624661; CHEMBL2002320; NSC-624661; NCI60_007479	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624661	.	.	.	.	373.5	C25H27NO2	21.7	453	5.2	28	0	3	5	"InChI=1S/C25H27NO2/c1-26-15-14-20-16-22(27-2)23(28-3)17-21(20)25(26)24(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,24-25H,14-15H2,1-3H3"	CN1CCC2=CC(=C(C=C2C1C(C3=CC=CC=C3)C4=CC=CC=C4)OC)OC	FWQAJQNEFXJSOZ-UHFFFAOYSA-N
DG53091	"N,N-diphenylbenzamidine"	361541	"N,N-diphenylbenzamidine; NSC624721; Benzamidine, N,N-diphenyl-; N,N-Diphenylbenzenecarboximidamide; N,N1-Diphenylbenzamidine; SCHEMBL8982783; CHEMBL1974296; N,N-Diphenylbenzenecarboximidamide #; Benzenecarboximidamide, N,N-diphenyl-; NSC-624721; NCI60_007486"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624721	.	.	.	.	272.3	C19H16N2	27.1	303	4.6	21	1	1	4	"InChI=1S/C19H16N2/c20-19(16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H"	C1=CC=C(C=C1)C(=N)N(C2=CC=CC=C2)C3=CC=CC=C3	PTXGUWDEUKICHG-UHFFFAOYSA-N
DG53092	"(6-Chloro-8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-yl)(phenyl)methanone"	361579	"NSC624760; (6-Chloro-8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-yl)(phenyl)methanone; CHEMBL1974401; ZINC1617826; NSC-624760; [chloro(methoxy)[ ]yl]-phenyl-methanone; NCI60_007502"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624760	.	.	.	.	326.8	C19H15ClO3	39.4	448	5.4	23	0	3	3	"InChI=1S/C19H15ClO3/c1-22-15-10-14(20)12-8-5-9-13-16(12)19(15)23-18(13)17(21)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3"	COC1=CC(=C2CCCC3=C(OC1=C23)C(=O)C4=CC=CC=C4)Cl	LUSUOFLYFYBVPL-UHFFFAOYSA-N
DG53093	"(8-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-yl)(phenyl)methanone"	361580	"NSC624761; (8-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-yl)(phenyl)methanone; CHEMBL1973433; (methoxy[ ]yl)-phenyl-methanone; NSC-624761; NCI60_007503"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624761	.	.	.	.	292.3	C19H16O3	39.4	415	4.8	22	0	3	3	"InChI=1S/C19H16O3/c1-21-15-11-10-12-8-5-9-14-16(12)19(15)22-18(14)17(20)13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3"	COC1=C2C3=C(CCCC3=C(O2)C(=O)C4=CC=CC=C4)C=C1	ORJJJSZKCLMUPK-UHFFFAOYSA-N
DG53094	5-(2-Bromo-5-methoxyphenyl)pentanoic acid	361588	NSC624769; 5-(2-Bromo-5-methoxyphenyl)pentanoic acid; CHEMBL1987429; SCHEMBL21379753; ZINC1617835; NSC-624769; NCI60_007511; 5-(2-bromo-5-methoxy-phenyl)pentanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624769	.	.	.	.	287.15	C12H15BrO3	46.5	220	3.2	16	1	3	6	"InChI=1S/C12H15BrO3/c1-16-10-6-7-11(13)9(8-10)4-2-3-5-12(14)15/h6-8H,2-5H2,1H3,(H,14,15)"	COC1=CC(=C(C=C1)Br)CCCCC(=O)O	ISBGKQVMDQZSCM-UHFFFAOYSA-N
DG53095	"8,8-Dibromo-9-oxo-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-1-yl acetate"	361590	"NSC624771; 8,8-Dibromo-9-oxo-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-1-yl acetate; CHEMBL1987763; ZINC5712429; (6,6-dibromo-5-oxo-8,9-dihydro-7H-benzo[7]annulen-4-yl) acetate; NSC-624771; NCI60_007513; 5H-Benzocyclohepten-5-one,6-dibromo- 6,7,8,9-tetrahydro-; 5H-Benzocyclohepten-5-one, 4-(acetyloxy)-6,6-dibromo- 6,7,8, 9-tetrahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624771	.	.	.	.	376.04	C13H12Br2O3	43.4	354	3.7	18	0	3	2	"InChI=1S/C13H12Br2O3/c1-8(16)18-10-6-2-4-9-5-3-7-13(14,15)12(17)11(9)10/h2,4,6H,3,5,7H2,1H3"	CC(=O)OC1=CC=CC2=C1C(=O)C(CCC2)(Br)Br	AHMPDCNURKIVJX-UHFFFAOYSA-N
DG53096	"7-tert-Butyl-5,8-dihydroxy-3,4-dihydro-1(2H)-naphthalenone"	361592	"NSC624773; 7-tert-Butyl-5,8-dihydroxy-3,4-dihydro-1(2H)-naphthalenone; CHEMBL1970635; NSC-624773; NCI60_007515; 7-tert-butyl-5,8-dihydroxy-tetralin-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624773	.	.	.	.	234.29	C14H18O3	57.5	305	3.5	17	2	3	1	"InChI=1S/C14H18O3/c1-14(2,3)9-7-11(16)8-5-4-6-10(15)12(8)13(9)17/h7,16-17H,4-6H2,1-3H3"	CC(C)(C)C1=CC(=C2CCCC(=O)C2=C1O)O	ISZCOYNVAICHNE-UHFFFAOYSA-N
DG53097	"4-Methoxy-9-oxo-6,9-dihydro-5H-benzo[a]cyclohepten-1-yl acetate"	361611	"NSC624796; 4-Methoxy-9-oxo-6,9-dihydro-5H-benzo[a]cyclohepten-1-yl acetate; CHEMBL1983813; (1-methoxy-5-oxo-8,9-dihydrobenzo[7]annulen-4-yl) acetate; ZINC1617860; NSC-624796; NCI60_007533"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624796	.	.	.	.	246.26	C14H14O4	52.6	361	2.2	18	0	4	3	"InChI=1S/C14H14O4/c1-9(15)18-13-8-7-12(17-2)10-5-3-4-6-11(16)14(10)13/h4,6-8H,3,5H2,1-2H3"	CC(=O)OC1=C2C(=C(C=C1)OC)CCC=CC2=O	RSQBNLPMBPKSEU-UHFFFAOYSA-N
DG53098	4-Hydroxy-1-methoxy-5H-benzo[a]cyclohepten-5-one	361615	NSC624800; 4-Hydroxy-1-methoxy-5H-benzo[a]cyclohepten-5-one; 4-hydroxy-1-methoxy-5H-benzocyclohepten-5-one; CHEMBL1977065; ZINC1617864; NSC-624800; 99558-47-1; NCI60_007537; 4-hydroxy-1-methoxy-benzo[7]annulen-5-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624800	.	.	.	.	202.21	C12H10O3	46.5	306	2.9	15	1	3	1	"InChI=1S/C12H10O3/c1-15-11-7-6-10(14)12-8(11)4-2-3-5-9(12)13/h2-7,14H,1H3"	COC1=C2C=CC=CC(=O)C2=C(C=C1)O	ZLUYWOMUAFRABD-UHFFFAOYSA-N
DG53099	"1-(3,4,5-Trihydroxytetrahydropyran-2-yl)-3-[6-[(3,4,5-trihydroxytetrahydropyran-2-yl)carbamoylamino]hexyl]urea"	361623	"NSC624808; CHEMBL1970454; NSC-624808; NCI60_007545; 1-(3,4,5-trihydroxytetrahydropyran-2-yl)-3-[6-[(3,4,5-trihydroxytetrahydropyran-2-yl)carbamoylamino]hexyl]urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624808	.	.	.	.	466.5	C18H34N4O10	222	550	-4.2	32	10	10	9	"InChI=1S/C18H34N4O10/c23-9-7-31-15(13(27)11(9)25)21-17(29)19-5-3-1-2-4-6-20-18(30)22-16-14(28)12(26)10(24)8-32-16/h9-16,23-28H,1-8H2,(H2,19,21,29)(H2,20,22,30)"	C1C(C(C(C(O1)NC(=O)NCCCCCCNC(=O)NC2C(C(C(CO2)O)O)O)O)O)O	FDBRPNHUDYLQCO-UHFFFAOYSA-N
DG53100	1-[2-(1-Hydroxybut-3-ynyl)phenyl]but-3-yn-1-ol	361626	"NSC624843; 1-[2-(1-hydroxybut-3-ynyl)phenyl]but-3-yn-1-ol; CHEMBL1997795; AKOS024406043; MCULE-2946598141; NSC-624843; NCI60_007547; 1,1'-(1,2-PHENYLENE)DIBUT-3-YN-1-OL; 1,2-Benzenedimethanol, .alpha.,.alpha.'-di-2-propynyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624843	.	.	.	.	214.26	C14H14O2	40.5	271	1.4	16	2	2	4	"InChI=1S/C14H14O2/c1-3-7-13(15)11-9-5-6-10-12(11)14(16)8-4-2/h1-2,5-6,9-10,13-16H,7-8H2"	C#CCC(C1=CC=CC=C1C(CC#C)O)O	XBBNTCTUWOYKJA-UHFFFAOYSA-N
DG53101	"(5,11,12-Triacetyloxy-1,8-dimethyl-4-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl) acetate"	361632	"NSC624849; CHEMBL1990388; ZINC1617881; [triacetoxy(dimethyl)[ ]yl] acetate; NSC-624849; NCI60_007553; 9,10-Ethanoanthracene-2,3,6,7-tetrol, 9,10-dihydro-9,10-dimethyl-, tetraacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624849	.	.	.	.	466.5	C26H26O8	105	735	4.4	34	0	8	8	"InChI=1S/C26H26O8/c1-13(27)31-21-9-17-18(10-22(21)32-14(2)28)26(6)8-7-25(17,5)19-11-23(33-15(3)29)24(12-20(19)26)34-16(4)30/h9-12H,7-8H2,1-6H3"	CC(=O)OC1=C(C=C2C(=C1)C3(CCC2(C4=CC(=C(C=C43)OC(=O)C)OC(=O)C)C)C)OC(=O)C	WWZMNWPBSWGKRZ-UHFFFAOYSA-N
DG53102	"1,2-Dibromo-3,4-bis(dibromomethylene)cyclobutane"	361635	"NSC624851; 1,2-Dibromo-3,4-bis(dibromomethylene)cyclobutane; 1,2-dibromo-3,4-bis(dibromomethylidene)cyclobutane; CHEMBL1985075; AKOS024405941; MCULE-7976768789; NSC-624851; NCI60_007555"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624851	.	.	.	.	553.5	C6H2Br6	0	229	4.5	12	0	0	0	InChI=1S/C6H2Br6/c7-3-1(5(9)10)2(4(3)8)6(11)12/h3-4H	C1(C(C(=C(Br)Br)C1=C(Br)Br)Br)Br	LHPQXMMEPJKJGB-UHFFFAOYSA-N
DG53103	rac-3-Hexadecanamido-2-ethoxypropyl phosphocholine	361655	"112989-01-2; rac-2-Ethoxy-3-hexadecanamido-1-propylphosphocholine; rac-3-Hexadecanamido-2-ethoxypropyl phosphocholine; CP-49; NSC624873; [2-ethoxy-3-(hexadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate; rac-2-ethoxy-3-hexadecanamido-1-propyl phosphocholine; 3,5-Dioxa-9-aza-4-phosphapentacosan-1-aminium, 7-ethoxy-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (1)-; NSC 624873; CHEMBL285629; SCHEMBL7631750; DTXSID70920963; CCG-204641; NSC-624873; NCGC00015413-02; NCGC00015413-03; NCGC00015413-04; NCGC00093938-01; NCGC00162184-01; EU-0100551; E 3645; 2-[[2-ethoxy-3-(hexadecanoylamino)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium; 2-Ethoxy-3-[(1-hydroxyhexadecylidene)amino]propyl 2-(trimethylazaniumyl)ethyl phosphate; 209532-03-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624873	.	.	.	.	522.7	C26H55N2O6P	96.9	548	5.9	35	1	6	25	"InChI=1S/C26H55N2O6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)27-23-25(32-7-2)24-34-35(30,31)33-22-21-28(3,4)5/h25H,6-24H2,1-5H3,(H-,27,29,30,31)"	CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC	USUMXADKOISKIL-UHFFFAOYSA-N
DG53104	"3-(2-Carboxyethyl)-6-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid"	361657	"NSC624875; 3-(2-Carboxyethyl)-6-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid; CHEMBL1968019; NSC-624875; NCI60_007577"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624875	.	.	.	.	304.29	C16H16O6	97	450	2.6	22	2	6	5	"InChI=1S/C16H16O6/c1-21-10-5-6-11-14-9(10)4-2-8(3-7-12(17)18)13(14)15(22-11)16(19)20/h5-6,8H,2-4,7H2,1H3,(H,17,18)(H,19,20)"	COC1=C2CCC(C3=C(OC(=C23)C=C1)C(=O)O)CCC(=O)O	KMFOJKPJJSOSSV-UHFFFAOYSA-N
DG53105	"7-Methoxy-1,8,9,9a-tetrahydrophenanthro[4,5-bcd]furan-3(2H)-one"	361658	"NSC624876; 7-Methoxy-1,8,9,9a-tetrahydrophenanthro[4,5-bcd]furan-3(2H)-one; CHEMBL1992022; NSC-624876; NCI60_007578"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624876	.	.	.	.	242.27	C15H14O3	39.4	367	3.1	18	0	3	1	"InChI=1S/C15H14O3/c1-17-11-6-7-12-14-9(11)4-2-8-3-5-10(16)15(18-12)13(8)14/h6-8H,2-5H2,1H3"	COC1=C2CCC3CCC(=O)C4=C3C2=C(O4)C=C1	LLXKFPDBYOGIIU-UHFFFAOYSA-N
DG53106	"Ethyl 8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylate"	361662	"NSC624880; Ethyl 8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylate; CHEMBL2004829; ZINC5813050; NSC-624880; NCI60_007582"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624880	.	.	.	.	260.279	C15H16O4	48.7	343	3.7	19	0	4	4	"InChI=1S/C15H16O4/c1-3-18-15(16)13-10-6-4-5-9-7-8-11(17-2)14(19-13)12(9)10/h7-8H,3-6H2,1-2H3"	CCOC(=O)C1=C2CCCC3=C2C(=C(C=C3)OC)O1	QOJOVOVSEAKREE-UHFFFAOYSA-N
DG53107	"Ethyl ((4-(2-ethoxy-2-oxoethoxy)-5,9-dioxo-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-1-yl)oxy)acetate"	361665	"NSC624883; CHEMBL1996386; NSC-624883; Ethyl ((4-(2-ethoxy-2-oxoethoxy)-5,9-dioxo-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-1-yl)oxy)acetate; NCI60_007585; [(5,9-Dioxo-6,7,8,9-tetrahydro-5H-benzocycloheptene)-1,4-diylbisoxy]diacetic acid diethyl ester; ethyl 2-[[4-(2-ethoxy-2-oxo-ethoxy)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]oxy]acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624883	.	.	.	.	378.4	C19H22O8	105	510	2	27	0	8	10	"InChI=1S/C19H22O8/c1-3-24-16(22)10-26-14-8-9-15(27-11-17(23)25-4-2)19-13(21)7-5-6-12(20)18(14)19/h8-9H,3-7,10-11H2,1-2H3"	CCOC(=O)COC1=C2C(=O)CCCC(=O)C2=C(C=C1)OCC(=O)OCC	YQYSXMMGYNWGSF-UHFFFAOYSA-N
DG53108	"Ethyl (1-{2-[(2-hydroxyethyl)amino]ethyl}-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate"	361688	"NSC624907; ethyl (1-{2-[(2-hydroxyethyl)amino]ethyl}-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate; Ethyl (1-(2-((2-hydroxyethyl)amino)ethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate; MLS000700178; SCHEMBL3863107; CHEMBL1352588; HMS2740H06; ZINC1617938; NSC-624907; NCI60_007609; SMR000226737; ethyl N-[1-[2-(2-hydroxyethylamino)ethyl]-2,4-dioxo-pyrimidine-5-carbonyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624907	.	.	.	.	314.29	C12H18N4O6	137	490	-1.3	22	4	7	8	"InChI=1S/C12H18N4O6/c1-2-22-12(21)15-10(19)8-7-16(5-3-13-4-6-17)11(20)14-9(8)18/h7,13,17H,2-6H2,1H3,(H,14,18,20)(H,15,19,21)"	CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCNCCO	BOFZDORIISKVEE-UHFFFAOYSA-N
DG53109	"5-((4-Chlorobenzoyl)amino)-N-cyclohexyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxamide"	361707	"NSC624948; CHEMBL1988879; ZINC1617952; 2,4-Dihydroxy-5-p-chlorobenzoylaminopyrimidine-6-carbocyclohexylamide; NSC-624948; 5-((4-Chlorobenzoyl)amino)-N-cyclohexyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxamide; 4-Pyrimidinecarboxamide, 1,2,3,6-tetrahydro-5-((4-chlorobenzoyl)amino)-N-cyclohexyl-2,6-dioxo-; 82241-29-0; NCI60_007619; 5-((4-Chlorobenzoyl)amino)-N-cyclohexyl-2,6-dihydroxy-4-pyrimidinecarboxamide; 5-[(4-chlorobenzoyl)amino]-N-cyclohexyl-2,6-dihydroxy-pyrimidine-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624948	.	.	.	.	390.8	C18H19ClN4O4	116	664	2.5	27	4	4	4	"InChI=1S/C18H19ClN4O4/c19-11-8-6-10(7-9-11)15(24)21-13-14(22-18(27)23-17(13)26)16(25)20-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,20,25)(H,21,24)(H2,22,23,26,27)"	C1CCC(CC1)NC(=O)C2=C(C(=O)NC(=O)N2)NC(=O)C3=CC=C(C=C3)Cl	FEWQWUFOYTYZAO-UHFFFAOYSA-N
DG53110	"Ethyl (2-(cyanoimino)-1,3-thiazolidin-3-yl)acetate"	361713	"NSC624954; Ethyl (2-(cyanoimino)-1,3-thiazolidin-3-yl)acetate; CHEMBL2002231; NSC-624954; NCI60_007624; ethyl 2-[(2Z)-2-cyanoiminothiazolidin-3-yl]acetate; Ethyl 2-[(Z)-2-cyanoimino-1,3-thiazolidin-3-yl]acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624954	.	.	.	.	213.26	C8H11N3O2S	91	294	1.1	14	0	5	4	"InChI=1S/C8H11N3O2S/c1-2-13-7(12)5-11-3-4-14-8(11)10-6-9/h2-5H2,1H3"	CCOC(=O)CN1CCSC1=NC#N	KZWSSZWGMMTHMO-UHFFFAOYSA-N
DG53111	"Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate"	361729	"NSC624971; CHEMBL1978209; methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate; methyl 2-((2,4-dinitrophenyl)sulfinyl)-2,3-butadienoate; NSC-624971; 134390-16-2; NCI60_007636; Methyl 2-((2,4-bis(hydroxy(oxido)amino)phenyl)sulfinyl)-2,3-butadienoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624971	.	.	.	.	312.26	C11H8N2O7S	154	530	1	21	0	8	4	"InChI=1S/C11H8N2O7S/c1-3-9(11(14)20-2)21(19)10-5-4-7(12(15)16)6-8(10)13(17)18/h4-6H,1H2,2H3"	COC(=O)C(=C=C)S(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]	DCOLBCFJIUBFBA-UHFFFAOYSA-N
DG53112	"Methyl 3-formylbicyclo[2.2.1]hepta-2,5-diene-2-carboxylate"	361733	"NSC624975; Methyl 3-formylbicyclo[2.2.1]hepta-2,5-diene-2-carboxylate; 2, 3-formyl-, methylester; CHEMBL2003836; methyl 2-formylbicyclo[2.2.1]hepta-2,5-diene-3-carboxylate; NSC-624975; NCI60_007639; 2,5-Norbornadiene-2-carboxylic acid, 3-formyl-, methylester; Bicyclo[2,1]hepta-2,5-diene-2-carboxylic acid, 3-formyl-,methyl ester; {Bicyclo[2,2,1]hepta-2,5-diene-2-carboxylic} acid, 3-formyl-,methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624975	.	.	.	.	178.18	C10H10O3	43.4	325	0.8	13	0	3	3	"InChI=1S/C10H10O3/c1-13-10(12)9-7-3-2-6(4-7)8(9)5-11/h2-3,5-7H,4H2,1H3"	COC(=O)C1=C(C2CC1C=C2)C=O	ZQNWPPICEXPFHS-UHFFFAOYSA-N
DG53113	"2-Bromo-3,4,5-triphenyl-2,4-cyclopentadien-1-one"	361740	"2-Bromo-3,4,5-triphenyl-2,4-cyclopentadien-1-one; MLS002701619; 73442-55-4; NSC624982; 2-bromo-3,4,5-triphenylcyclopenta-2,4-dien-1-one; SMR001565220; 2-bromo-3,4,5-triphenyl-cyclopenta-2,4-dien-1-one; NSC 624982; cid_361740; CHEMBL1730238; BDBM80070; DTXSID20994199; 2, 2-bromo-3,4,5-triphenyl-; ZINC1617990; AKOS024406011; MCULE-7621782919; NSC-624982; NCI60_007646; 2-bromo-3,4,5-triphenyl-1-cyclopenta-2,4-dienone; 2-bromanyl-3,4,5-triphenyl-cyclopenta-2,4-dien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624982	.	.	.	.	387.3	C23H15BrO	17.1	567	5.7	25	0	1	3	InChI=1S/C23H15BrO/c24-22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(23(22)25)18-14-8-3-9-15-18/h1-15H	C1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=CC=C3)Br)C4=CC=CC=C4	DBJSHCMPSZHIQH-UHFFFAOYSA-N
DG53114	4-[3-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole	361746	"1,3-Di(1H-pyrazol-4-yl)benzene; 4-[3-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole; NSC625012; 958101-27-4; 4-(3-(1H-Pyrazol-4-yl)phenyl)-1H-pyrazole; YSCH0121; CHEMBL1991464; NSC-625012; NCI60_007653; 1H-Pyrazole, 4,4'-(1,3-phenylene)bis-; CS-0110392"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625012	.	.	.	.	210.23	C12H10N4	57.4	211	1.8	16	2	2	2	"InChI=1S/C12H10N4/c1-2-9(11-5-13-14-6-11)4-10(3-1)12-7-15-16-8-12/h1-8H,(H,13,14)(H,15,16)"	C1=CC(=CC(=C1)C2=CNN=C2)C3=CNN=C3	GSRYHHVNYJOBBE-UHFFFAOYSA-N
DG53115	"N~1~,N~1~,N~3~,N~3~-Tetrakis(2-cyanoethyl)isophthalamide"	361752	"NSC625018; CHEMBL1980301; NSC-625018; NCI60_007657; N~1~,N~1~,N~3~,N~3~-Tetrakis(2-cyanoethyl)isophthalamide; N1,N1,N3,N3-tetrakis(2-cyanoethyl)benzene-1,3-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625018	.	.	.	.	376.4	C20H20N6O2	136	638	-0.4	28	0	6	10	"InChI=1S/C20H20N6O2/c21-8-2-12-25(13-3-9-22)19(27)17-6-1-7-18(16-17)20(28)26(14-4-10-23)15-5-11-24/h1,6-7,16H,2-5,12-15H2"	C1=CC(=CC(=C1)C(=O)N(CCC#N)CCC#N)C(=O)N(CCC#N)CCC#N	FCHYWKNRWUALHQ-UHFFFAOYSA-N
DG53116	"2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]ethanamine"	361753	"NSC625019; bdea; SCHEMBL6751312; CHEMBL2002315; NSC-625019; 2-(3,5-Dimethyl-1H-pyrazol-1-yl)-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)ethanamine; 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]ethanamine; NCI60_007658; bis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]amine; N,N-Bis(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625019	.	.	.	.	261.37	C14H23N5	47.7	247	1.3	19	1	3	6	"InChI=1S/C14H23N5/c1-11-9-13(3)18(16-11)7-5-15-6-8-19-14(4)10-12(2)17-19/h9-10,15H,5-8H2,1-4H3"	CC1=CC(=NN1CCNCCN2C(=CC(=N2)C)C)C	AZQZJVVZBGCHSV-UHFFFAOYSA-N
DG53117	2-[3-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)anilino]ethanol	361755	"NSC625021; Ethanol, 2,2',2'',2'''-(1,3-phenylenedinitrilo)tetrakis-; CHEMBL1995309; SCHEMBL10605812; 2-[3-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)anilino]ethanol; NSC-625021; NCI60_007660; 2,2',2'',2'''-(1,3-Phenylene)bis(nitrilo)tetrakis(ethanol)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625021	.	.	.	.	284.35	C14H24N2O4	87.4	209	-0.6	20	4	6	10	"InChI=1S/C14H24N2O4/c17-8-4-15(5-9-18)13-2-1-3-14(12-13)16(6-10-19)7-11-20/h1-3,12,17-20H,4-11H2"	C1=CC(=CC(=C1)N(CCO)CCO)N(CCO)CCO	UFLNANCPKMWCDK-UHFFFAOYSA-N
DG53118	1-methyl-2-[[4-[3-(1H-pyrazol-4-yl)phenyl]pyrazol-1-yl]methyl]imidazole	361758	NSC625024; CHEMBL2004256; 1-methyl-2-[[4-[3-(1H-pyrazol-4-yl)phenyl]pyrazol-1-yl]methyl]imidazole; NSC-625024; 1-((1-Methyl-1H-imidazol-2-yl)methyl)-4-(3-(1H-pyrazol-4-yl)phenyl)-1H-pyrazole; NCI60_007663	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625024	.	.	.	.	304.3	C17H16N6	64.3	391	1.5	23	1	3	4	"InChI=1S/C17H16N6/c1-22-6-5-18-17(22)12-23-11-16(10-21-23)14-4-2-3-13(7-14)15-8-19-20-9-15/h2-11H,12H2,1H3,(H,19,20)"	CN1C=CN=C1CN2C=C(C=N2)C3=CC=CC(=C3)C4=CNN=C4	KZHCXMZUUBLUOL-UHFFFAOYSA-N
DG53119	1-(Bis(phenylthio)methyl)cycloheptanol	361771	NSC625037; 1-(Bis(phenylthio)methyl)cycloheptanol; CHEMBL1968860; NSC-625037; NCI60_007673; 1-[bis(phenylsulfanyl)methyl]cycloheptanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625037	.	.	.	.	344.5	C20H24OS2	70.8	307	6.3	23	1	3	5	"InChI=1S/C20H24OS2/c21-20(15-9-1-2-10-16-20)19(22-17-11-5-3-6-12-17)23-18-13-7-4-8-14-18/h3-8,11-14,19,21H,1-2,9-10,15-16H2"	C1CCCC(CC1)(C(SC2=CC=CC=C2)SC3=CC=CC=C3)O	PTKNMXCKRDXEJF-UHFFFAOYSA-N
DG53120	Diphenyl(1-(phenylthio)butyl)phosphine oxide	361772	NSC625038; Diphenyl(1-(phenylthio)butyl)phosphine oxide; [phenyl(1-phenylsulfanylbutyl)phosphoryl]benzene; CHEMBL1988886; NSC-625038; NCI60_007674	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625038	.	.	.	.	366.5	C22H23OPS	42.4	398	6.1	25	0	2	7	"InChI=1S/C22H23OPS/c1-2-12-22(25-21-17-10-5-11-18-21)24(23,19-13-6-3-7-14-19)20-15-8-4-9-16-20/h3-11,13-18,22H,2,12H2,1H3"	CCCC(P(=O)(C1=CC=CC=C1)C2=CC=CC=C2)SC3=CC=CC=C3	GXROZKSSJBDWAY-UHFFFAOYSA-N
DG53121	"5,5-Bis(phenylthio)pentanal"	361778	"5,5-Bis(phenylthio)pentanal; 5,5-bis(phenylsulfanyl)pentanal; NSC625045; CHEMBL1986757; ZINC1618028; NSC-625045; NCI60_007678"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625045	.	.	.	.	302.5	C17H18OS2	67.7	238	5	20	0	3	8	"InChI=1S/C17H18OS2/c18-14-8-7-13-17(19-15-9-3-1-4-10-15)20-16-11-5-2-6-12-16/h1-6,9-12,14,17H,7-8,13H2"	C1=CC=C(C=C1)SC(CCCC=O)SC2=CC=CC=C2	ZBNHHIIHEKGMMU-UHFFFAOYSA-N
DG53122	Trimethyl(tris(phenylthio)methyl)silane	361782	NSC625049; Trimethyl(tris(phenylthio)methyl)silane; trimethyl-[tris(phenylsulfanyl)methyl]silane; CHEMBL1998016; NSC-625049; NCI60_007682	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625049	.	.	.	.	412.7	C22H24S3Si	75.9	352	.	26	0	3	7	"InChI=1S/C22H24S3Si/c1-26(2,3)22(23-19-13-7-4-8-14-19,24-20-15-9-5-10-16-20)25-21-17-11-6-12-18-21/h4-18H,1-3H3"	C[Si](C)(C)C(SC1=CC=CC=C1)(SC2=CC=CC=C2)SC3=CC=CC=C3	VQHVLUMAABPAGI-UHFFFAOYSA-N
DG53123	"Trimethyl(2-(phenylthio)-1,3-dithian-2-yl)silane"	361793	"NSC625065; Trimethyl(2-(phenylthio)-1,3-dithian-2-yl)silane; Phenyl 2-(trimethylsilyl)-1,3-dithian-2-yl sulfide; trimethyl-(2-phenylsulfanyl-1,3-dithian-2-yl)silane; CHEMBL1980185; NSC-625065; NCI60_007691"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625065	.	.	.	.	300.6	C13H20S3Si	75.9	238	.	17	0	3	3	"InChI=1S/C13H20S3Si/c1-17(2,3)13(14-10-7-11-15-13)16-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3"	C[Si](C)(C)C1(SCCCS1)SC2=CC=CC=C2	KVQXXJUSYCCTNM-UHFFFAOYSA-N
DG53124	2-(4-Nitrophenyl)-1-oxido-indol-1-ium-3-one	361797	"NSC625111; 2-(4-nitrophenyl)-1-oxido-indol-1-ium-3-one; CHEMBL576034; NSC-625111; NCI60_007695; 3H-Indol-3-one, 2-(4-nitrophenyl)-, 1-oxide; 2-(4-(Hydroxy(oxido)amino)phenyl)-1,2-dihydro-3H-indol-3-one 1-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625111	.	.	.	.	268.22	C14H8N2O4	91.6	460	1.9	20	0	4	1	InChI=1S/C14H8N2O4/c17-14-11-3-1-2-4-12(11)15(18)13(14)9-5-7-10(8-6-9)16(19)20/h1-8H	C1=CC=C2C(=C1)C(=O)C(=[N+]2[O-])C3=CC=C(C=C3)[N+](=O)[O-]	XSOMQBLCXSTNTI-UHFFFAOYSA-N
DG53125	"Octamethyl 2,4-cycloheptadiene-1,1,2,3,4,5,6,7-octacarboxylate"	361816	"MLS002701620; NSC625133; SMR001565221; Octamethyl 2,4-cycloheptadiene-1,1,2,3,4,5,6,7-octacarboxylate; octamethyl cyclohepta-2,4-diene-1,1,2,3,4,5,6,7-octacarboxylate; cid_361816; CHEMBL1702614; BDBM80071; AKOS024405933; MCULE-2118682348; NSC-625133; NCI60_007711; Cyclohepta-1,2,3,4,5,5,6,7-octacarboxylic acid, octamethyl ester; cyclohepta-2,4-diene-1,1,2,3,4,5,6,7-octacarboxylic acid octamethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625133	.	.	.	.	558.4	C23H26O16	210	1140	-0.6	39	0	16	16	"InChI=1S/C23H26O16/c1-32-15(24)9-10(16(25)33-2)12(18(27)35-4)14(20(29)37-6)23(21(30)38-7,22(31)39-8)13(19(28)36-5)11(9)17(26)34-3/h11,13H,1-8H3"	COC(=O)C1C(C(C(=C(C(=C1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)C(=O)OC	WXVSEVMFXFCFKU-UHFFFAOYSA-N
DG53126	"Tetrabromo-3-cyclopentene-1,2-dione"	361817	"NSC625134; Tetrabromo-3-cyclopentene-1,2-dione; 3,4,5,5-tetrabromocyclopent-3-ene-1,2-dione; CHEMBL1969965; ZINC1618058; NSC-625134; NCI60_007712"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625134	.	.	.	.	411.67	C5Br4O2	34.1	278	2.7	11	0	2	0	"InChI=1S/C5Br4O2/c6-1-2(10)4(11)5(8,9)3(1)7"	C1(=C(C(C(=O)C1=O)(Br)Br)Br)Br	RSKJTAAOMZSDTP-UHFFFAOYSA-N
DG53127	(2-Ethoxy-5-hydroxyphenyl)-triphenylphosphanium;iodide	361829	NSC625146; CHEMBL2000941; DTXSID70326986; AKOS024419119; MCULE-8361099472; NSC-625146; 58359-69-6	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625146	.	.	.	.	526.3	C26H24IO2P	29.5	432	.	30	1	3	6	"InChI=1S/C26H23O2P.HI/c1-2-28-25-19-18-21(27)20-26(25)29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24;/h3-20H,2H2,1H3;1H"	CCOC1=C(C=C(C=C1)O)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]	JDJJFCHRCBRYTH-UHFFFAOYSA-N
DG53128	NSC625150	361834	"Ethyl 2,7,7,12,12,17,17-heptamethyl-21,22,23,24-tetraoxapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene-2-carboxylate; NSC625150; ethyl heptamethyl[ ]carboxylate; CHEMBL1979841; ZINC5813231; AKOS024406314; MCULE-5579033915; NSC-625150; NCI60_007728; ETHYL 2,7,7,12,12,17,17-HEPTAMETHYL-21,22,23,24-TETRAOXAPENTACYCLO[16.2.1.1(3,6).1(8,11).1(13,16)]TETRACOSA-1(20),3,5,8,10,13,15,18-OCTAENE-2-CARBOXYLATE; Ethyl 2,7,7,12,12,17,17-heptamethyl-21,22,23,24-tetraoxapentacyclo[16.2.1.1~3,6~.1~8,11~.1~13,16~]tetracosa-1(20),3,5,8,10,13,15,18-octaene-2-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625150	.	.	.	.	490.6	C30H34O6	78.9	779	7.1	36	0	6	3	"InChI=1S/C30H34O6/c1-9-32-26(31)30(8)24-16-14-22(35-24)28(4,5)20-12-10-18(33-20)27(2,3)19-11-13-21(34-19)29(6,7)23-15-17-25(30)36-23/h10-17H,9H2,1-8H3"	CCOC(=O)C1(C2=CC=C(O2)C(C3=CC=C(O3)C(C4=CC=C(O4)C(C5=CC=C1O5)(C)C)(C)C)(C)C)C	ZEXQMECTBYFPEY-UHFFFAOYSA-N
DG53129	2-(Benzylthio)malononitrile	361853	"NSC625174; Propanedinitrile, 2-(phenylmethyl)thio-; 2-(Benzylthio)malononitrile; 2-benzylsulfanylpropanedinitrile; CHEMBL1975334; NSC-625174; NCI60_007747"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625174	.	.	.	.	188.25	C10H8N2S	72.9	222	2.1	13	0	3	3	"InChI=1S/C10H8N2S/c11-6-10(7-12)13-8-9-4-2-1-3-5-9/h1-5,10H,8H2"	C1=CC=C(C=C1)CSC(C#N)C#N	DWLAFZZWURUUGI-UHFFFAOYSA-N
DG53130	"4-Thioxo-1,7-bis(triphenylphosphoranylidene)-2,6-heptanedione"	361857	"NSC625178; CHEMBL1998336; 4-Thioxo-1,7-bis(triphenylphosphoranylidene)-2,6-heptanedione; ZINC82195591; NSC-625178; NCI60_007751; 4-thioxo-1,7-bis(triphenyl-$l^{5}-phosphanylidene)heptane-2,6-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625178	.	.	.	.	678.8	C43H36O2P2S	66.2	973	7.5	48	0	3	12	"InChI=1S/C43H36O2P2S/c44-35(33-46(37-19-7-1-8-20-37,38-21-9-2-10-22-38)39-23-11-3-12-24-39)31-43(48)32-36(45)34-47(40-25-13-4-14-26-40,41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-30,33-34H,31-32H2"	C1=CC=C(C=C1)P(=CC(=O)CC(=S)CC(=O)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6	VFLIHDCDLMSQQU-UHFFFAOYSA-N
DG53131	"N-[3-formamido-1,3-bis(p-tolylsulfonyl)propyl]formamide"	361859	"NSC625180; CHEMBL1982467; NSC-625180; NCI60_007753; N-[3-formamido-1,3-bis(p-tolylsulfonyl)propyl]formamide; Formamide, [1,3-bis[(4-methylphenyl)sulfonyl]-1,3-propanediyl]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625180	.	.	.	.	438.5	C19H22N2O6S2	143	677	2.2	29	2	6	8	"InChI=1S/C19H22N2O6S2/c1-14-3-7-16(8-4-14)28(24,25)18(20-12-22)11-19(21-13-23)29(26,27)17-9-5-15(2)6-10-17/h3-10,12-13,18-19H,11H2,1-2H3,(H,20,22)(H,21,23)"	CC1=CC=C(C=C1)S(=O)(=O)C(CC(NC=O)S(=O)(=O)C2=CC=C(C=C2)C)NC=O	DDTMEZWPGDNZMA-UHFFFAOYSA-N
DG53132	Triphenyl((2-((triphenylphosphoranylidene)amino)phenyl)imino)phosphorane	361870	"NSC625192; Triphenyl((2-((triphenylphosphoranylidene)amino)phenyl)imino)phosphorane; triphenyl({2-[(triphenylphosphoranylidene)amino]phenyl}imino)phosphorane; CHEMBL1980413; SCHEMBL14406573; DTXSID50326989; ZINC73258350; AKOS024405861; MCULE-6480458845; NSC-625192; 1753-97-5; NCI60_007764; N,N'-(1,2-Phenylene)bis(triphenylphosphine imide); N,N'-bis(triphenylphosphoranediyl)-o-phenylenediamine; triphenyl-[2-[(triphenyl-$l^{5}-phosphanylidene)amino]phenyl]imino-$l^{5}-phosphane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625192	.	.	.	.	628.7	C42H34N2P2	24.7	828	11	46	0	2	8	"InChI=1S/C42H34N2P2/c1-7-21-35(22-8-1)45(36-23-9-2-10-24-36,37-25-11-3-12-26-37)43-41-33-19-20-34-42(41)44-46(38-27-13-4-14-28-38,39-29-15-5-16-30-39)40-31-17-6-18-32-40/h1-34H"	C1=CC=C(C=C1)P(=NC2=CC=CC=C2N=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7	LPPJVOFEDUXLAC-UHFFFAOYSA-N
DG53133	NSC625195	361873	"3-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]propyl N-[6-[3-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]propoxycarbonylamino]hexyl]carbamate; NSC625195; CHEMBL1996526; ZINC82195533; NSC-625195; NCI60_007767; 3-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]propyl N-[6-[3-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]propoxycarbonylamino]hexyl]carbamate; Carbamic acid, [(5,14-dioxo-4,15-dioxa-6,13-diazaoctadecane-1,18-diyl)bis[(3,4-dihydro-2,4-dioxo-1,5(2H)-pyrimidinediyl)carbonyl]]bis-, diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625195	.	.	.	.	738.7	C30H42N8O14	286	1340	1	52	6	14	23	"InChI=1S/C30H42N8O14/c1-3-49-29(47)35-23(41)19-17-37(25(43)33-21(19)39)13-9-15-51-27(45)31-11-7-5-6-8-12-32-28(46)52-16-10-14-38-18-20(22(40)34-26(38)44)24(42)36-30(48)50-4-2/h17-18H,3-16H2,1-2H3,(H,31,45)(H,32,46)(H,33,39,43)(H,34,40,44)(H,35,41,47)(H,36,42,48)"	CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCOC(=O)NCCCCCCNC(=O)OCCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC	WTNVAJZSWJKDEY-UHFFFAOYSA-N
DG53134	"6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 1,2,4,7,8,10-hexamethyl-"	361902	"NSC625314; 6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 1,2,4,7,8,10-hexamethyl-; CHEMBL1973550; ZINC1618122; NSC-625314; NCI60_007798"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625314	.	.	.	.	306.4	C21H26N2	6.5	409	5.3	23	0	2	0	"InChI=1S/C21H26N2/c1-12-7-14(3)20-18(16(12)5)9-22-11-23(20)10-19-17(6)13(2)8-15(4)21(19)22/h7-8H,9-11H2,1-6H3"	CC1=CC(=C2C(=C1C)CN3CN2CC4=C(C(=CC(=C43)C)C)C)C	RVGCVLJCTZLHLY-UHFFFAOYSA-N
DG53135	"6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 2,4,8,10-tetramethyl-"	361903	"NSC625315; 6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 2,4,8,10-tetramethyl-; CHEMBL1970487; SCHEMBL21539001; NSC-625315; NCI60_007799; 2,4,8,10-Tetramethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine; 2,4,8,10-Tetramethyl-5beta,11beta-methano-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine; 2,4,8,10-Tetramethyl-5alpha,11alpha-methano-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625315	.	.	.	.	278.4	C19H22N2	6.5	359	4.6	21	0	2	0	"InChI=1S/C19H22N2/c1-12-5-14(3)18-16(7-12)9-20-11-21(18)10-17-8-13(2)6-15(4)19(17)20/h5-8H,9-11H2,1-4H3"	CC1=CC(=C2C(=C1)CN3CN2CC4=CC(=CC(=C43)C)C)C	AZSVNAWGILSLCD-UHFFFAOYSA-N
DG53136	"6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 2,8-dimethoxy-4,10-dimethyl-"	361904	"NSC625316; 6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 2,8-dimethoxy-4,10-dimethyl-; CHEMBL1977819; NSC-625316; NCI60_007800"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625316	.	.	.	.	310.4	C19H22N2O2	24.9	394	3.8	23	0	4	2	"InChI=1S/C19H22N2O2/c1-12-5-16(22-3)7-14-9-21-11-20(18(12)14)10-15-8-17(23-4)6-13(2)19(15)21/h5-8H,9-11H2,1-4H3"	CC1=CC(=CC2=C1N3CC4=C(C(=CC(=C4)OC)C)N(C2)C3)OC	JLHJRMAJUMSEBE-UHFFFAOYSA-N
DG53137	"2,8-Dimethyl-5,6,11,12-tetrahydrobenzo[c][1,5]benzodiazocine"	361905	"NSC625317; 2,8-Dimethyl-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine; CHEMBL1986501; SCHEMBL14294948; 2,8-dimethyl-5,6,11,12-tetrahydrobenzo[c][1,5]benzodiazocine; NSC-625317; NCI60_007801"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625317	.	.	.	.	238.33	C16H18N2	24.1	250	3.7	18	2	2	0	"InChI=1S/C16H18N2/c1-11-3-5-15-13(7-11)9-17-16-6-4-12(2)8-14(16)10-18-15/h3-8,17-18H,9-10H2,1-2H3"	CC1=CC2=C(C=C1)NCC3=C(C=CC(=C3)C)NC2	FIYXWLXBQFGGSN-UHFFFAOYSA-N
DG53138	"Phenol, 2-(2,8-dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocin-13-yl)-"	361906	"NSC625318; 2-(dimethyl[ ]yl)phenol; CHEMBL1973870; NSC-625318; Phenol, 2-(2,8-dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocin-13-yl)-; NCI60_007802"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625318	.	.	.	.	342.4	C23H22N2O	26.7	476	5	26	1	3	1	"InChI=1S/C23H22N2O/c1-15-7-9-20-17(11-15)13-24-21-10-8-16(2)12-18(21)14-25(20)23(24)19-5-3-4-6-22(19)26/h3-12,23,26H,13-14H2,1-2H3"	CC1=CC2=C(C=C1)N3CC4=C(C=CC(=C4)C)N(C2)C3C5=CC=CC=C5O	YLAXJAFJRPVOPH-UHFFFAOYSA-N
DG53139	"1,3-benzodioxol-5-ylmethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate"	361914	NSC625349; CHEMBL1965995; NSC-625349; NCI60_007811	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625349	.	.	.	.	419.4	C24H21NO6	94.1	601	3.3	31	2	6	8	"InChI=1S/C24H21NO6/c26-22(24(28)29-14-16-11-12-19-20(13-16)31-15-30-19)21(17-7-3-1-4-8-17)25-23(27)18-9-5-2-6-10-18/h1-13,21-22,26H,14-15H2,(H,25,27)/t21-,22+/m0/s1"	C1OC2=C(O1)C=C(C=C2)COC(=O)[C@@H]([C@H](C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)O	VDFKJYXTXADUGL-FCHUYYIVSA-N
DG53140	"(9,10-Dioxoanthracen-2-yl)methyl 3-benzamido-2-hydroxy-3-phenylpropanoate"	361915	"NSC625350; NSC-625350; NCI60_007812; Benzenepropanoic acid, (9,10-dihydro-9,10-dioxo-2-anthracenyl)methyl ester (R*,R*)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625350	.	.	.	.	505.5	C31H23NO6	110	876	4.4	38	2	6	8	"InChI=1S/C31H23NO6/c33-27-22-13-7-8-14-23(22)28(34)25-17-19(15-16-24(25)27)18-38-31(37)29(35)26(20-9-3-1-4-10-20)32-30(36)21-11-5-2-6-12-21/h1-17,26,29,35H,18H2,(H,32,36)"	C1=CC=C(C=C1)C(C(C(=O)OCC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)O)NC(=O)C5=CC=CC=C5	MHQSGAKVNWJEHS-UHFFFAOYSA-N
DG53141	"2-Phenyl-10,11-dihydro-1H-5,11a-methanocyclopenta[c][1,2,4]triazolo[1,2-a][1,2]diazocine-1,3,9(5H)-trione"	361916	"NSC625351; 2-Phenyl-10,11-dihydro-1H-5,11a-methanocyclopenta[c][1,2,4]triazolo[1,2-a][1,2]diazocine-1,3,9(5H)-trione; CHEMBL1974949; NSC-625351; NCI60_007813"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625351	.	.	.	.	321.3	C18H15N3O3	60.9	706	1.7	24	0	3	1	"InChI=1S/C18H15N3O3/c22-15-9-10-18-11-13(7-4-8-14(15)18)20-16(23)19(17(24)21(18)20)12-5-2-1-3-6-12/h1-8,13H,9-11H2"	C1CC23CC(C=CC=C2C1=O)N4N3C(=O)N(C4=O)C5=CC=CC=C5	REWBQGXKDPADRT-UHFFFAOYSA-N
DG53142	"2-[5-(2-hydroxybenzoyl)-2-(2-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]chromeno[2,3-d]pyrimidin-5-one"	361917	CHEMBL1971254; NSC625352; ZINC16953160; NSC-625352; NCI60_007814	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625352	.	.	.	.	503.5	C29H17N3O6	139	1040	4.1	38	3	8	4	"InChI=1S/C29H17N3O6/c33-21-10-4-1-7-15(21)24-18(13-19(28(37)31-24)25(35)16-8-2-5-11-22(16)34)27-30-14-20-26(36)17-9-3-6-12-23(17)38-29(20)32-27/h1-14,33-34H,(H,31,37)"	C1=CC=C(C(=C1)C2=C(C=C(C(=O)N2)C(=O)C3=CC=CC=C3O)C4=NC=C5C(=O)C6=CC=CC=C6OC5=N4)O	DZVALTLNQFLCLH-UHFFFAOYSA-N
DG53143	"11,12-Dihydroquinolino[2,3-b][1,5]benzoxazepine"	361918	NSC625353; CHEMBL1970365; ZINC12942092; NSC-625353; NCI60_007815	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625353	.	.	.	.	248.28	C16H12N2O	34.2	322	3.6	19	1	3	0	"InChI=1S/C16H12N2O/c1-2-6-13-11(5-1)9-12-10-17-14-7-3-4-8-15(14)19-16(12)18-13/h1-9,17H,10H2"	C1C2=CC3=CC=CC=C3N=C2OC4=CC=CC=C4N1	ITYAFHUZFUVDQV-UHFFFAOYSA-N
DG53144	"1-(2'-Deoxy-2'-fluoro-D-arabinofuranosyl)-1,2-pyrimidine-2-one"	361920	"NSC625355; NSC625772; NCIMech_000291; 1-(2'-Deoxy-2'-fluoro-D-arabinofuranosyl)- 1,2-pyrimidine-2-one; 1-(2-Deoxy-2-fluoro-.alpha.-D-arabinofuranosyl)-1,2- pyrimidine-2-one; NSC-625355; NSC-625772; NCI60_007817; NCI60_008068"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625355	.	.	.	.	230.19	C9H11FN2O4	82.4	346	-0.5	16	2	5	2	"InChI=1S/C9H11FN2O4/c10-6-7(14)5(4-13)16-8(6)12-3-1-2-11-9(12)15/h1-3,5-8,13-14H,4H2"	C1=CN(C(=O)N=C1)C2C(C(C(O2)CO)O)F	WQIKHPATWLOZFO-UHFFFAOYSA-N
DG53145	3-((1H-imidazol-1-yl)methyl)-1-benzyl-5-nitro-1H-indole-2-carbaldehyde	361928	NSC-625409; CHEMBL496777; 3-((1H-imidazol-1-yl)methyl)-1-benzyl-5-nitro-1H-indole-2-carbaldehyde; NSC625409; BDBM50265439; ZINC13220122; NCI60_007821	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625409	.	.	.	.	360.4	C20H16N4O3	85.6	534	2.9	27	0	4	5	"InChI=1S/C20H16N4O3/c25-13-20-18(12-22-9-8-21-14-22)17-10-16(24(26)27)6-7-19(17)23(20)11-15-4-2-1-3-5-15/h1-10,13-14H,11-12H2"	C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C2C=O)CN4C=CN=C4	QEODFJMVDIPNKP-UHFFFAOYSA-N
DG53146	2-Methyl-3-(tris(phenylthio)methyl)cyclopentanone	361932	NSC625413; 2-Methyl-3-(tris(phenylthio)methyl)cyclopentanone; CHEMBL1990939; NSC-625413; NCI60_007824; 2-methyl-3-[tris(phenylsulfanyl)methyl]cyclopentanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625413	.	.	.	.	436.7	C25H24OS3	93	468	7.6	29	0	4	7	"InChI=1S/C25H24OS3/c1-19-23(17-18-24(19)26)25(27-20-11-5-2-6-12-20,28-21-13-7-3-8-14-21)29-22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3"	CC1C(CCC1=O)C(SC2=CC=CC=C2)(SC3=CC=CC=C3)SC4=CC=CC=C4	FRLFUBHLIMXIRF-UHFFFAOYSA-N
DG53147	10-Oxooctadecanoic acid	361941	"10-Oxooctadecanoic acid; 10-ketostearic acid; 4158-12-7; Octadecanoic acid, 10-oxo-; 10-oxo-octadecanoic acid; 10-keto stearic acid; NSC625425; 10-Oxostearic acid; SCHEMBL2968739; CHEMBL1994343; DTXSID80194416; CHEBI:172116; LMFA02000246; MFCD08693365; AKOS000277643; NSC-625425; AS-44353; NCI60_007833; A901229; Q27462127; KTC"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625425	.	.	.	.	298.5	C18H34O3	54.4	261	6	21	1	3	16	"InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)"	CCCCCCCCC(=O)CCCCCCCCC(=O)O	BGKROBBCCGUUCF-UHFFFAOYSA-N
DG53148	8-Oxo-octadecanoic acid	361946	8-Oxooctadecanoic acid; 8-oxo-octadecanoic acid; NSC625431; 8-oxostearic acid; 8-Ketostearic acid; SCHEMBL9132509; CHEMBL1990384; CHEBI:179233; LMFA02000263; NSC-625431; NCI60_007838	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625431	.	.	.	.	298.5	C18H34O3	54.4	261	5	21	1	3	16	"InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)"	CCCCCCCCCCC(=O)CCCCCCC(=O)O	OTXWABSAIDKSMU-UHFFFAOYSA-N
DG53149	[4-[[Dimethyl(octyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octylazanium;bromide	361972	NSC625456; NSC-625456	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625456	.	.	.	.	498.6	C28H54BrN2+	0	355	.	31	0	1	18	"InChI=1S/C28H54N2.BrH/c1-7-9-11-13-15-17-23-29(3,4)25-27-19-21-28(22-20-27)26-30(5,6)24-18-16-14-12-10-8-2;/h19-22H,7-18,23-26H2,1-6H3;1H/q+2;/p-1"	CCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)C[N+](C)(C)CCCCCCCC.[Br-]	ABSPSMBFONJZPC-UHFFFAOYSA-M
DG53150	Hexadecyl-[[4-[[hexadecyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium;bromide	361974	NSC625457; NSC-625457	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625457	.	.	.	.	723.1	C44H86BrN2+	0	563	.	47	0	1	34	"InChI=1S/C44H86N2.BrH/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-45(3,4)41-43-35-37-44(38-36-43)42-46(5,6)40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;/h35-38H,7-34,39-42H2,1-6H3;1H/q+2;/p-1"	CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]	ZREWUFJOTUKWSQ-UHFFFAOYSA-M
DG53151	[4-[[Dimethyl(octadecyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octadecylazanium;bromide	361976	NSC625458; NSC-625458	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625458	.	.	.	.	779.2	C48H94BrN2+	0	618	.	51	0	1	38	"InChI=1S/C48H94N2.BrH/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43-49(3,4)45-47-39-41-48(42-40-47)46-50(5,6)44-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;/h39-42H,7-38,43-46H2,1-6H3;1H/q+2;/p-1"	CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)C[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-]	KKQARPHWCOELTF-UHFFFAOYSA-M
DG53152	"1-(4-Fluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	361994	"1-(4-Fluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole; NSC625473; 136994-91-7; 1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(4-fluorophenyl)-; 1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(4-fluorophenyl)-; 1-(4-fluorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole; CHEMBL2006349; DTXSID20929628; NSC-625473; NCI60_007874; 1-(4-Fluorophenyl)-3H-thiazolo[3,4-a]benzimidazole; 1-(4-Fluorophenyl)-1H,3H-[1,3]thiazolo[3,4-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625473	.	.	.	.	270.3	C15H11FN2S	43.1	332	3.5	19	0	3	1	"InChI=1S/C15H11FN2S/c16-11-7-5-10(6-8-11)15-18-13-4-2-1-3-12(13)17-14(18)9-19-15/h1-8,15H,9H2"	C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)F	TUEVGHMVASKCCE-UHFFFAOYSA-N
DG53153	"1-(3-Bromophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	361995	"NSC625474; 136994-83-7; 1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(3-bromophenyl)-; 1-(3-Bromophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole; 1-(3-bromophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole; 1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(3-bromophenyl)-; CHEMBL1992583; DTXSID40929620; NSC-625474; NCI60_007875; 1-(3-Bromophenyl)-1H,3H-[1,3]thiazolo[3,4-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625474	.	.	.	.	331.2	C15H11BrN2S	43.1	340	4.1	19	0	2	1	"InChI=1S/C15H11BrN2S/c16-11-5-3-4-10(8-11)15-18-13-7-2-1-6-12(13)17-14(18)9-19-15/h1-8,15H,9H2"	C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC=C4)Br	WMEXLDJBKXUZPX-UHFFFAOYSA-N
DG53154	"1-(4-Bromophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	361996	"NSC625475; 136994-84-8; 1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(4-bromophenyl)-; 1-(4-Bromophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole; 1-(4-bromophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole; 1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(4-bromophenyl)-; CHEMBL1989441; DTXSID00929621; NSC-625475; NCI60_007876; 1-(4-Bromophenyl)-1H,3H-[1,3]thiazolo[3,4-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625475	.	.	.	.	331.2	C15H11BrN2S	43.1	332	4.1	19	0	2	1	"InChI=1S/C15H11BrN2S/c16-11-7-5-10(6-8-11)15-18-13-4-2-1-3-12(13)17-14(18)9-19-15/h1-8,15H,9H2"	C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)Br	VAZZLVFERHJLEV-UHFFFAOYSA-N
DG53155	"1-(3-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	361997	"NSC625476; 136994-96-2; 1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(3-methylphenyl)-; 1-(3-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole; 1-(m-tolyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole; 1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(3-methylphenyl)-; CHEMBL1985757; DTXSID10929632; NSC-625476; NCI60_007877; 1-(3-Methylphenyl)-1H,3H-[1,3]thiazolo[3,4-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625476	.	.	.	.	266.4	C16H14N2S	43.1	335	3.8	19	0	2	1	"InChI=1S/C16H14N2S/c1-11-5-4-6-12(9-11)16-18-14-8-3-2-7-13(14)17-15(18)10-19-16/h2-9,16H,10H2,1H3"	CC1=CC(=CC=C1)C2N3C(=NC4=CC=CC=C43)CS2	DXMCBXOONDVGLN-UHFFFAOYSA-N
DG53156	"1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2,6-dichlorophenyl)-"	362003	"NSC625482; TBZ2; 1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2,6-dichlorophenyl)-; TBZ-2; CHEMBL296175; NSC-625482; NCI60_007883; 1H,3H-Thiazolo[3,4-a]benzimidazole der.; 1H,4-a]benzimidazole, 1-(2,6-dichlorophenyl)-; 1-[2,6-Dichlorophenyl]-3H-thiazolo[3,4-a]benzimidazole; 1-(2,6-dichlorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625482	.	.	.	.	321.2	C15H10Cl2N2S	43.1	360	4.7	20	0	2	1	"InChI=1S/C15H10Cl2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2"	C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC=C4Cl)Cl	NHXWVKNHPDSLDA-UHFFFAOYSA-N
DG53157	"Bis[3-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]propyl] decanedioate"	362009	"NSC625513; CHEMBL1984843; ZINC82186931; NSC-625513; NCI60_007910; bis[3-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]propyl] decanedioate; Bis(3-(5-(((ethoxycarbonyl)amino)carbonyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propyl) sebacate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625513	.	.	.	.	736.7	C32H44N6O14	262	1340	2.6	52	4	14	25	"InChI=1S/C32H44N6O14/c1-3-49-31(47)35-27(43)21-19-37(29(45)33-25(21)41)15-11-17-51-23(39)13-9-7-5-6-8-10-14-24(40)52-18-12-16-38-20-22(26(42)34-30(38)46)28(44)36-32(48)50-4-2/h19-20H,3-18H2,1-2H3,(H,33,41,45)(H,34,42,46)(H,35,43,47)(H,36,44,48)"	CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCOC(=O)CCCCCCCCC(=O)OCCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC	SEPIVMDQMBNFMD-UHFFFAOYSA-N
DG53158	NSC625515	362011	"4-[2-(5-cyano-6-ethyl-2,4-dioxo-pyrimidin-1-yl)ethyl]-N-[6-[[4-[2-(5-cyano-6-ethyl-2,4-dioxo-pyrimidin-1-yl)ethyl]piperazine-1-carbonyl]amino]hexyl]piperazine-1-carboxamide; NSC625515; CHEMBL1987118; ZINC82182202; NSC-625515; NCI60_007912; 4-(2-(5-Cyano-6-ethyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethyl)-N-(6-(((4-(2-(5-cyano-6-ethyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethyl)-1-piperazinyl)carbonyl)amino)hexyl)-1-piperazinecarboxamide; 4-[2-(5-cyano-6-ethyl-2,4-dioxo-pyrimidin-1-yl)ethyl]-N-[6-[[4-[2-(5-cyano-6-ethyl-2,4-dioxo-pyrimidin-1-yl)ethyl]piperazine-1-carbonyl]amino]hexyl]piperazine-1-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625515	.	.	.	.	722.8	C34H50N12O6	218	1430	-0.6	52	4	10	15	"InChI=1S/C34H50N12O6/c1-3-27-25(23-35)29(47)39-33(51)45(27)21-15-41-11-17-43(18-12-41)31(49)37-9-7-5-6-8-10-38-32(50)44-19-13-42(14-20-44)16-22-46-28(4-2)26(24-36)30(48)40-34(46)52/h3-22H2,1-2H3,(H,37,49)(H,38,50)(H,39,47,51)(H,40,48,52)"	CCC1=C(C(=O)NC(=O)N1CCN2CCN(CC2)C(=O)NCCCCCCNC(=O)N3CCN(CC3)CCN4C(=C(C(=O)NC4=O)C#N)CC)C#N	UVQBUEWLCDYDFA-UHFFFAOYSA-N
DG53159	"10-(2',4'-Dichlorophenyl)-3-methylflavin"	362038	"NSC625537; 10-(2',4'-dichlorophenyl)-3-methylflavin; CHEMBL52474; NSC-625537; NCI60_007929; 10-(2,4-dichlorophenyl)-3-methyl-benzo[g]pteridine-2,4-dione; 3-Methyl-10-(2,4-dichlorophenyl)pyrimido[4,5-b]quinoxaline-2,4(3H,10H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625537	.	.	.	.	373.2	C17H10Cl2N4O2	65.3	665	3.5	25	0	3	1	"InChI=1S/C17H10Cl2N4O2/c1-22-16(24)14-15(21-17(22)25)23(12-7-6-9(18)8-10(12)19)13-5-3-2-4-11(13)20-14/h2-8H,1H3"	CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=C(C=C(C=C4)Cl)Cl	VWWLDHTZVYONJZ-UHFFFAOYSA-N
DG53160	Cordigone	362039	"Cordigone; NSC625546; 117458-37-4; NSC-625546; CHEMBL368805; DTXSID20326996; BDBM50056914; ZINC05813366; NCI60_007938; Methanone,5-bis(4-hydroxyphenyl)-3,4-furandiyl] bis[(2,4-dihyroxyphenyl)]-; [4-(2,4-Dihydroxy-benzoyl)-2,5-bis-(4-hydroxy-phenyl)-tetrahydro-furan-3-yl]-(2,4-dihydroxy-phenyl)-methanone; [4-(2,4-dihydroxybenzoyl)-2,5-bis(4-hydroxyphenyl)tetrahydrofuran-3-yl]-(2,4-dihydroxyphenyl)methanone; 1-(2,4-Dihydroxy-phenyl)-1-[4-[1-(2,4-dihydroxy-phenyl)-methanoyl]-2,5-bis-(4-hydroxy-phenyl)-tetrahydro-furan-3-yl]-methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625546	.	.	.	.	528.5	C30H24O9	165	781	4.6	39	6	9	6	"InChI=1S/C30H24O9/c31-17-5-1-15(2-6-17)29-25(27(37)21-11-9-19(33)13-23(21)35)26(28(38)22-12-10-20(34)14-24(22)36)30(39-29)16-3-7-18(32)8-4-16/h1-14,25-26,29-36H"	C1=CC(=CC=C1C2C(C(C(O2)C3=CC=C(C=C3)O)C(=O)C4=C(C=C(C=C4)O)O)C(=O)C5=C(C=C(C=C5)O)O)O	MGYYQYIFNBTUAB-UHFFFAOYSA-N
DG53161	Itomanindole A	362040	"Itomanindole A; NSC625547; 119340-95-3; 4,6-Dibromo-2-(methylsulfinyl)-3-(methylthio)-1H-indole; CHEMBL463143; 4,6-dibromo-3-methylsulfanyl-2-methylsulfinyl-1H-indole; DTXSID80326997; NSC-625547; NCI60_007939; 2-(Methylsulfinyl)-3-methylthio-4,6-dibromo-1H-indole; 4,6-Dibromo-3-(methylthio)-1H-indol-2-yl methyl sulfoxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625547	.	.	.	.	383.1	C10H9Br2NOS2	77.4	292	3.4	16	1	3	2	"InChI=1S/C10H9Br2NOS2/c1-15-9-8-6(12)3-5(11)4-7(8)13-10(9)16(2)14/h3-4,13H,1-2H3"	CSC1=C(NC2=C1C(=CC(=C2)Br)Br)S(=O)C	RPUHYZCTFRSRAR-UHFFFAOYSA-N
DG53162	7alpha-Acetoxyroylenane	362048	"NSC625557; 7.alpha.-Acetoxyroyleanone; 6812-88-0; 7alpha-acetoxyroylenane; NSC753734; NSC-625557; NSC-753734; Podocarpa-8,14-dione, 7,12-dihydroxy-13-isopropyl-, 7-acetate (7CI, 8CI); 1, 10-(acetyloxy)-4b,5,6,7,8,8a,9,10-octahydro-3-hydroxy- 4b,8,8-trimethyl-2-(1-methylethyl)-, [4bS-(4b.alpha., 8a.beta.,10.beta.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753734	.	.	.	.	374.5	C22H30O5	80.7	783	3.7	27	1	5	3	"InChI=1S/C22H30O5/c1-11(2)15-18(24)16-13(27-12(3)23)10-14-21(4,5)8-7-9-22(14,6)17(16)20(26)19(15)25/h11,13-14,24H,7-10H2,1-6H3/t13 ,14 ,22-/m0/s1"	CC(C)C1=C(C2=C(C(=O)C1=O)[C@]3(CCCC(C3CC2OC(=O)C)(C)C)C)O	MNEJUZVNGNCLJU-PZEOVBFPSA-N
DG53163	"5-Methyl-2-phenyl-8-(1-((trimethylsilyl)oxy)ethyl)-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione"	362054	"NSC625566; 5-Methyl-2-phenyl-8-(1-((trimethylsilyl)oxy)ethyl)-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione; CHEMBL1974665; NSC-625566; 8-methyl-2-phenyl-5-(1-trimethylsilyloxyethyl)-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione; NCI60_007948"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625566	.	.	.	.	359.5	C18H25N3O3Si	53.1	568	.	25	0	3	4	"InChI=1S/C18H25N3O3Si/c1-13-11-12-16(14(2)24-25(3,4)5)21-18(23)19(17(22)20(13)21)15-9-7-6-8-10-15/h6-14,16H,1-5H3"	CC1C=CC(N2N1C(=O)N(C2=O)C3=CC=CC=C3)C(C)O[Si](C)(C)C	AJRYFWHAPFUXFO-UHFFFAOYSA-N
DG53164	"1,1-Bis(4-chlorophenyl)naphtho[1,2-c]furan-3(1H)-one"	362062	"NSC625584; 1,1-Bis(4-chlorophenyl)naphtho[1,2-c]furan-3(1H)-one; CHEMBL1992446; ZINC5813388; NSC-625584; NCI60_007960; 1,1-bis(4-chlorophenyl)benzo[e]isobenzofuran-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625584	.	.	.	.	405.3	C24H14Cl2O2	26.3	555	7	28	0	2	2	InChI=1S/C24H14Cl2O2/c25-18-10-6-16(7-11-18)24(17-8-12-19(26)13-9-17)22-20-4-2-1-3-15(20)5-14-21(22)23(27)28-24/h1-14H	C1=CC=C2C(=C1)C=CC3=C2C(OC3=O)(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	LKKCVYQQCACLJG-UHFFFAOYSA-N
DG53165	"Spiro[1H-indene-1,3'(1'H)-naphtho[1,2-c]furan]-1'-one, 2,3-dihydro-9'-methoxy-4-methyl-"	362065	"NSC625587; CHEMBL1983170; NSC-625587; Spiro[1H-indene-1,3'(1'H)-naphtho[1,2-c]furan]-1'-one, 2,3-dihydro-9'-methoxy-4-methyl-; NCI60_007963; 9-methoxy-4'-methyl-spiro[benzo[g]isobenzofuran-3,1'-indane]-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625587	.	.	.	.	330.4	C22H18O3	35.5	545	4.8	25	0	3	1	"InChI=1S/C22H18O3/c1-13-5-3-7-16-15(13)11-12-22(16)17-10-9-14-6-4-8-18(24-2)19(14)20(17)21(23)25-22/h3-10H,11-12H2,1-2H3"	CC1=C2CCC3(C2=CC=C1)C4=C(C5=C(C=CC=C5OC)C=C4)C(=O)O3	PNRYXVWKRFIQCX-UHFFFAOYSA-N
DG53166	"3-(3-(Trifluoromethyl)phenyl)naphtho[1,2-c]furan-1(3H)-one"	362069	"NSC625592; 3-(3-(Trifluoromethyl)phenyl)naphtho[1,2-c]furan-1(3H)-one; CHEMBL1978660; NSC-625592; NCI60_007968; 3-[3-(trifluoromethyl)phenyl]-3H-benzo[g]isobenzofuran-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625592	.	.	.	.	328.3	C19H11F3O2	26.3	490	5.2	24	0	5	1	"InChI=1S/C19H11F3O2/c20-19(21,22)13-6-3-5-12(10-13)17-15-9-8-11-4-1-2-7-14(11)16(15)18(23)24-17/h1-10,17H"	C1=CC=C2C(=C1)C=CC3=C2C(=O)OC3C4=CC(=CC=C4)C(F)(F)F	VCUNDCKCTUJNHO-UHFFFAOYSA-N
DG53167	"3,3-Bis(3-(trifluoromethyl)phenyl)naphtho[1,2-c]furan-1(3H)-one"	362080	"NSC625603; 3,3-Bis(3-(trifluoromethyl)phenyl)naphtho[1,2-c]furan-1(3H)-one; CHEMBL2006339; ZINC5813402; NSC-625603; NCI60_007979; 3,3-bis[3-(trifluoromethyl)phenyl]benzo[g]isobenzofuran-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625603	.	.	.	.	472.4	C26H14F6O2	26.3	727	7.5	34	0	8	2	"InChI=1S/C26H14F6O2/c27-25(28,29)18-8-3-6-16(13-18)24(17-7-4-9-19(14-17)26(30,31)32)21-12-11-15-5-1-2-10-20(15)22(21)23(33)34-24/h1-14H"	C1=CC=C2C(=C1)C=CC3=C2C(=O)OC3(C4=CC(=CC=C4)C(F)(F)F)C5=CC(=CC=C5)C(F)(F)F	IPRQZDVKHKUAHL-UHFFFAOYSA-N
DG53168	NSC625612	362089	"6-[2-[[5-[2-(5-Cyanopentoxy)ethoxymethyl]-2,2-bis[7-(3,5-ditert-butylphenyl)heptyl]-1,3-dioxolan-4-yl]methoxy]ethoxy]hexanenitrile; NSC625612; CHEMBL1995344; NSC-625612; 6-(2-((5-((2-((5-Cyanopentyl)oxy)ethoxy)methyl)-2,2-bis(7-(3,5-di-tert-butylphenyl)heptyl)-1,3-dioxolan-4-yl)methoxy)ethoxy)hexanenitrile; 6-[2-[[5-[2-(5-cyanopentoxy)ethoxymethyl]-2,2-bis[7-(3,5-ditert-butylphenyl)heptyl]-1,3-dioxolan-4-yl]methoxy]ethoxy]hexanenitrile; NCI60_007988"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625612	.	.	.	.	985.5	C63H104N2O6	103	1310	17.1	71	0	8	40	"InChI=1S/C63H104N2O6/c1-59(2,3)53-43-51(44-54(47-53)60(4,5)6)31-23-15-13-17-25-33-63(34-26-18-14-16-24-32-52-45-55(61(7,8)9)48-56(46-52)62(10,11)12)70-57(49-68-41-39-66-37-29-21-19-27-35-64)58(71-63)50-69-42-40-67-38-30-22-20-28-36-65/h43-48,57-58H,13-34,37-42,49-50H2,1-12H3"	CC(C)(C)C1=CC(=CC(=C1)CCCCCCCC2(OC(C(O2)COCCOCCCCCC#N)COCCOCCCCCC#N)CCCCCCCC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C	QWZBHPQQLAXIGH-UHFFFAOYSA-N
DG53169	1-(1-Methyl-4-phenyl-4-azepanyl)ethanone	362090	"NSC625618; 1-(1-Methyl-4-phenyl-4-azepanyl)ethanone; CHEMBL1978665; Azacycloheptane, hydrate [10:1]; NSC-625618; NCI60_007989; 1-(1-methyl-4-phenyl-azepan-4-yl)ethanone; Azacycloheptane, 4-acetyl-1-methyl-4-phenyl, hydrate {[10:1]}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625618	.	.	.	.	231.33	C15H21NO	20.3	270	2.3	17	0	2	2	"InChI=1S/C15H21NO/c1-13(17)15(14-7-4-3-5-8-14)9-6-11-16(2)12-10-15/h3-5,7-8H,6,9-12H2,1-2H3"	CC(=O)C1(CCCN(CC1)C)C2=CC=CC=C2	VSAAQIAFGFUKFJ-UHFFFAOYSA-N
DG53170	"7,12-Epidioxybenz[a]anthracene, 7,12-dihydro-7-methyl-"	362095	"NSC625624; NCIChal_000009; CHEMBL1979284; 7, 7,12-dihydro-7-methyl-; NSC-625624; NCI60_007992; 7,12-Epidioxybenz[a]anthracene, 7,12-dihydro-7-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625624	.	.	.	.	274.3	C19H14O2	18.5	422	4.1	21	0	2	0	"InChI=1S/C19H14O2/c1-19-15-9-5-4-8-14(15)18(20-21-19)17-13-7-3-2-6-12(13)10-11-16(17)19/h2-11,18H,1H3"	CC12C3=C(C(C4=CC=CC=C41)OO2)C5=CC=CC=C5C=C3	BKPSIVHKYKDHJO-UHFFFAOYSA-N
DG53171	"Benz(a)anthracene-1,4-dione, 7,12-dimethyl-"	362096	"NSC625625; Benz(a)anthracene-1,4-dione, 7,12-dimethyl-; 71964-73-3; 7,12-Dimethylbenzo[a]anthracene-1,4-dione; 7,12-Dimethylbenz(a)anthracene-1,4-dione; CHEMBL1988071; DTXSID60222246; NSC-625625; NCI60_007993; Benz[a]anthracene-1, 1,4-dihydro-7,12-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625625	.	.	.	.	286.3	C20H14O2	34.1	520	4.7	22	0	2	0	"InChI=1S/C20H14O2/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-16-17(21)9-10-18(22)20(16)19/h3-10H,1-2H3"	CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)C)C(=O)C=CC3=O	KMZNJHZZPXJOPL-UHFFFAOYSA-N
DG53172	"1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine"	362097	"NSC625626; 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepin; 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine; 31066-96-3; CHEMBL1975635; Dibenzo[c,e]thiepin, 5,7-dihydro-1,3,9,11-tetramethyl-; 1,3,9,11-tetramethyl-5,7-dihydrobenzo[d][2]benzothiepine; ZINC1618268; NSC-625626; NCI60_007994; 1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,E]thiepine #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625626	.	.	.	.	268.4	C18H20S	25.3	283	5	19	0	1	0	"InChI=1S/C18H20S/c1-11-5-13(3)17-15(7-11)9-19-10-16-8-12(2)6-14(4)18(16)17/h5-8H,9-10H2,1-4H3"	CC1=CC(=C2C(=C1)CSCC3=CC(=CC(=C32)C)C)C	FGSXSCOUEIAMOA-UHFFFAOYSA-N
DG53173	"10,10-Dibromoanthracen-9-one"	362108	"NSC625637; 10,10-dibromoanthracen-9-one; CHEMBL1969999; NSC-625637; NCI60_008005"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625637	.	.	.	.	352.02	C14H8Br2O	17.1	298	4.4	17	0	1	0	InChI=1S/C14H8Br2O/c15-14(16)11-7-3-1-5-9(11)13(17)10-6-2-4-8-12(10)14/h1-8H	C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(Br)Br	LVGLBCQZYRCDFB-UHFFFAOYSA-N
DG53174	"Naphtho[1,2-c]furan-3(1H)-one, 1-(2-methylphenyl)-"	362113	"NSC625642; CHEMBL1981805; Naphtho[1, 1-(2-methylphenyl)-; NSC-625642; Naphtho[1,2-c]furan-3(1H)-one sder.; NCI60_008010; 1-(o-tolyl)-1H-benzo[e]isobenzofuran-3-one; Naphtho[1,2-c]furan-3(1H)-one, 1-(2-methylphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625642	.	.	.	.	274.3	C19H14O2	26.3	404	4.7	21	0	2	1	"InChI=1S/C19H14O2/c1-12-6-2-4-8-14(12)18-17-15-9-5-3-7-13(15)10-11-16(17)19(20)21-18/h2-11,18H,1H3"	CC1=CC=CC=C1C2C3=C(C=CC4=CC=CC=C43)C(=O)O2	XXPUUWFQVADCRG-UHFFFAOYSA-N
DG53175	"1,11-Dimethyl-1H-pyrazolo[4,3-c][1,5]benzodiazocine-4,10(5H,11H)-dione"	362133	"NSC625709; 1,11-Dimethyl-1H-pyrazolo[4,3-c][1,5]benzodiazocine-4,10(5H,11H)-dione; CHEMBL1976106; 1,11-dimethyl-5H-pyrazolo[4,3-c][1,5]benzodiazocine-4,10-dione; NSC-625709; NCI60_008030"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625709	.	.	.	.	256.26	C13H12N4O2	67.2	400	0.5	19	1	3	0	"InChI=1S/C13H12N4O2/c1-16-12-9(7-14-17(12)2)11(18)15-10-6-4-3-5-8(10)13(16)19/h3-7H,1-2H3,(H,15,18)"	CN1C2=C(C=NN2C)C(=O)NC3=CC=CC=C3C1=O	GFFLNUURJBUYHP-UHFFFAOYSA-N
DG53176	"(3Z)-N,5-bis(4-chlorophenyl)-3-isopentylimino-phenazin-2-amine"	362143	"NSC625731; CHEMBL440182; CHEMBL2002139; NSC-625731; NCI60_008038; (3Z)-N,5-bis(4-chlorophenyl)-3-isopentylimino-phenazin-2-amine; N,5-Bis(4-chlorophenyl)-3-(isopentylimino)-3,5-dihydro-2-phenazinamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625731	.	.	.	.	501.4	C29H26Cl2N4	40	860	8	35	1	4	6	"InChI=1S/C29H26Cl2N4/c1-19(2)15-16-32-25-18-29-27(17-26(25)33-22-11-7-20(30)8-12-22)34-24-5-3-4-6-28(24)35(29)23-13-9-21(31)10-14-23/h3-14,17-19,33H,15-16H2,1-2H3"	CC(C)CCN=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl	ZQVZLQICYMOAMF-UHFFFAOYSA-N
DG53177	1-[3-[(Z)-[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]propyl]pyrrolidin-2-one	362144	NSC625732; CHEMBL152427; CHEMBL1966704; NSC-625732; NCI60_008039; 1-(3-((3-(4-Chloroanilino)-10-(4-chlorophenyl)-2(10H)-phenazinylidene)amino)propyl)-2-pyrrolidinone; 1-[3-[(Z)-[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]propyl]pyrrolidin-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625732	.	.	.	.	556.5	C31H27Cl2N5O	60.3	1020	6.2	39	1	5	7	"InChI=1S/C31H27Cl2N5O/c32-21-8-12-23(13-9-21)35-27-19-28-30(20-26(27)34-16-4-18-37-17-3-7-31(37)39)38(24-14-10-22(33)11-15-24)29-6-2-1-5-25(29)36-28/h1-2,5-6,8-15,19-20,35H,3-4,7,16-18H2"	C1CC(=O)N(C1)CCCN=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)Cl)C=C2NC6=CC=C(C=C6)Cl	YBIOLSSAMULSRT-UHFFFAOYSA-N
DG53178	"4-Amino-6-methyl-2-(4-morpholinyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one"	362168	"NSC625746; CHEMBL2001391; NSC-625746; 4-Amino-6-methyl-2-(4-morpholinyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one; NCI60_008053; 4-amino-6-methyl-2-morpholino-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625746	.	.	.	.	263.3	C12H17N5O2	93.4	347	0	19	2	6	1	"InChI=1S/C12H17N5O2/c1-7-6-8-9(13)14-12(16-10(8)15-11(7)18)17-2-4-19-5-3-17/h7H,2-6H2,1H3,(H3,13,14,15,16,18)"	CC1CC2=C(N=C(N=C2NC1=O)N3CCOCC3)N	GMWUTXNNYNMJSR-UHFFFAOYSA-N
DG53179	"1,2,4,5-Tetrazine, 3,6-bis(1-azetidinyl)-"	362170	"NSC625748; 3,6-Di(1-azetidinyl)-1,2,4,5-tetraazine; 3,6-bis(azetidin-1-yl)-1,2,4,5-tetrazine; NCIMech_000267; 1,2,4,5-tetrazine, 3,6-bis(1-azetidinyl)-; CHEMBL1995667; ZINC1618319; 3,6-Di(1-azetidinyl)-s-tetrazine; CCG-35349; NSC-625748; NCI60_008055; 1,4,5-tetrazine, 3,6-bis(1-azetidinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625748	.	.	.	.	192.22	C8H12N6	58	172	-0.2	14	0	6	2	InChI=1S/C8H12N6/c1-3-13(4-1)7-9-11-8(12-10-7)14-5-2-6-14/h1-6H2	C1CN(C1)C2=NN=C(N=N2)N3CCC3	UNJZINWIGXRJHA-UHFFFAOYSA-N
DG53180	"N2,N4,N6-Tribenzoyloxy-methyl-N2,N4,N6-trimethylmelamine"	362185	"NSC625774; CHEMBL1966053; ZINC5813493; NSC-625774; NCI60_008070; N2,N6-Tribenzoyloxy-methyl-N2,N4,N6-trimethylmelamine; N2,N4,N6-Tribenzoyloxy-methyl-N2,N4,N6-trimethylmelamine; [[4,6-bis[benzoyloxymethyl(methyl)amino]-1,3,5-triazin-2-yl]-methyl-amino]methyl benzoate; ((4,6-Bis(((benzoyloxy)methyl)(methyl)amino)-1,3,5-triazin-2-yl)(methyl)amino)methyl benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625774	.	.	.	.	570.6	C30H30N6O6	127	740	6.3	42	0	12	15	"InChI=1S/C30H30N6O6/c1-34(19-40-25(37)22-13-7-4-8-14-22)28-31-29(35(2)20-41-26(38)23-15-9-5-10-16-23)33-30(32-28)36(3)21-42-27(39)24-17-11-6-12-18-24/h4-18H,19-21H2,1-3H3"	CN(COC(=O)C1=CC=CC=C1)C2=NC(=NC(=N2)N(C)COC(=O)C3=CC=CC=C3)N(C)COC(=O)C4=CC=CC=C4	WEBQKVQHTMTCHV-UHFFFAOYSA-N
DG53181	"3-(((tert-Butyl(dimethyl)silyl)oxy)methyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-4-yl acetate"	362190	"NSC625781; 3-(((tert-Butyl(dimethyl)silyl)oxy)methyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-4-yl acetate; CHEMBL1978860; NSC-625781; [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dihydro-4H-pyrrolo[1,2-c]triazol-4-yl] acetate; NCI60_008075; 3-(tert-Butyldimethylsiloxymethyl)-4-acetoxy-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625781	.	.	.	.	311.45	C14H25N3O3Si	66.2	397	.	21	0	5	6	"InChI=1S/C14H25N3O3Si/c1-10(18)20-12-7-8-17-13(12)11(15-16-17)9-19-21(5,6)14(2,3)4/h12H,7-9H2,1-6H3"	CC(=O)OC1CCN2C1=C(N=N2)CO[Si](C)(C)C(C)(C)C	GGGPFXWZPAAYBK-UHFFFAOYSA-N
DG53182	"Spiro[1,3-dithiolane-2,1'(2'H)-naphthalene]-3'-acetonitrile, 3',4'-dihydro-6',8'-dimethoxy-"	362202	"NSC625801; CHEMBL2000073; NSC-625801; NCI60_008086; Spiro[1,3-dithiolane-2,1'(2'H)-naphthalene]-3'-acetonitrile, 3',4'-dihydro-6',8'-dimethoxy-; 2-(5',7'-dimethoxyspiro[1,3-dithiolane-2,4'-tetralin]-2'-yl)acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625801	.	.	.	.	321.5	C16H19NO2S2	92.8	416	3	21	0	5	3	"InChI=1S/C16H19NO2S2/c1-18-13-8-12-7-11(3-4-17)10-16(20-5-6-21-16)15(12)14(9-13)19-2/h8-9,11H,3,5-7,10H2,1-2H3"	COC1=CC2=C(C(=C1)OC)C3(CC(C2)CC#N)SCCS3	DXOMCJGBIFSQPY-UHFFFAOYSA-N
DG53183	"1,2-Bis(4,5-dichloro-6-oxo-pyridazin-1-yl)ethane-1,2-dione"	362212	"NSC625814; CHEMBL1974976; ZINC1618359; NSC-625814; NCI60_008099; 1,2-bis(4,5-dichloro-6-oxo-pyridazin-1-yl)ethane-1,2-dione; 3(2H)-Pyridazinone, 2,2'-(1,2-dioxo-1,2-ethanediyl)bis[4,5-dichloro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625814	.	.	.	.	384	C10H2Cl4N4O4	99.5	677	2	22	0	6	0	InChI=1S/C10H2Cl4N4O4/c11-3-1-15-17(7(19)5(3)13)9(21)10(22)18-8(20)6(14)4(12)2-16-18/h1-2H	C1=NN(C(=O)C(=C1Cl)Cl)C(=O)C(=O)N2C(=O)C(=C(C=N2)Cl)Cl	XFWWQJGRIOCORX-UHFFFAOYSA-N
DG53184	"Methyl 2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate"	362215	"NSC625818; 457943-71-4; Methyl 2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate; CHEMBL1984747; methyl 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate; ZINC6379313; STL505784; AKOS002344739; NSC-625818; NCI60_008103; Methyl ((5-phenyl-1H-1,2,4-triazol-3-yl)thio)acetate; methyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate; (5-phenyl-4 h-[1,2,4]triazol-3-ylsulfanyl)-acetic acid methyl ester; (5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625818	.	.	.	.	249.29	C11H11N3O2S	93.2	259	2.4	17	1	5	5	"InChI=1S/C11H11N3O2S/c1-16-9(15)7-17-11-12-10(13-14-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13,14)"	COC(=O)CSC1=NNC(=N1)C2=CC=CC=C2	UQDLUZLOSOQAKN-UHFFFAOYSA-N
DG53185	"4-Hydrazino-4-oxo-N-(2,4,5-trichlorophenyl)butanamide"	362235	"NSC625839; 4-Hydrazino-4-oxo-N-(2,4,5-trichlorophenyl)butanamide; CHEMBL2003944; ZINC1618379; NSC-625839; NCI60_008124"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625839	.	.	.	.	310.6	C10H10Cl3N3O2	84.2	317	1.4	18	3	3	4	"InChI=1S/C10H10Cl3N3O2/c11-5-3-7(13)8(4-6(5)12)15-9(17)1-2-10(18)16-14/h3-4H,1-2,14H2,(H,15,17)(H,16,18)"	C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)CCC(=O)NN	YBAAWIBFRQGHOO-UHFFFAOYSA-N
DG53186	N-(2-Ethoxyphenyl)-4-hydrazino-4-oxobutanamide	362236	NSC625840; N-(2-Ethoxyphenyl)-4-hydrazino-4-oxobutanamide; CHEMBL1988504; ZINC1618380; NSC-625840; NCI60_008125; N-(2-ethoxyphenyl)-4-hydrazino-4-oxo-butanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625840	.	.	.	.	251.28	C12H17N3O3	93.4	284	-0.1	18	3	4	6	"InChI=1S/C12H17N3O3/c1-2-18-10-6-4-3-5-9(10)14-11(16)7-8-12(17)15-13/h3-6H,2,7-8,13H2,1H3,(H,14,16)(H,15,17)"	CCOC1=CC=CC=C1NC(=O)CCC(=O)NN	XACBZTIEKWRHSC-UHFFFAOYSA-N
DG53187	NSC625855	362251	"6-[2-(2-Naphthyl)-2-oxo-ethyl]-3-[7-[6-[2-(2-naphthyl)-2-oxo-ethyl]-5-oxo-imidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one; NSC625855; CHEMBL1982395; ZINC82174958; NSC-625855; NCI60_008140; 5H-Imidazo[2,1-c]-1,2,4-triazol-5-one, 3,3'-(1,7-heptanediyl)bis[6-[2-(2-naphthalenyl)-2-oxoethyl]-; 6-[2-(2-naphthyl)-2-oxo-ethyl]-3-[7-[6-[2-(2-naphthyl)-2-oxo-ethyl]-5-oxo-imidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625855	.	.	.	.	676.7	C39H32N8O4	154	1300	6.7	51	0	10	14	"InChI=1S/C39H32N8O4/c48-32(28-18-16-24-10-6-8-12-26(24)20-28)22-30-36(50)46-34(42-44-38(46)40-30)14-4-2-1-3-5-15-35-43-45-39-41-31(37(51)47(35)39)23-33(49)29-19-17-25-11-7-9-13-27(25)21-29/h6-13,16-21H,1-5,14-15,22-23H2"	C1=CC=C2C=C(C=CC2=C1)C(=O)CC3=NC4=NN=C(N4C3=O)CCCCCCCC5=NN=C6N5C(=O)C(=N6)CC(=O)C7=CC8=CC=CC=C8C=C7	GWARWRVAGRSIFK-UHFFFAOYSA-N
DG53188	"[3,4,5-Triacetoxy-6-[5-[(2-methoxyphenyl)methyl]-3-phenyl-6-thioxo-1,2,4-triazin-1-yl]tetrahydropyran-2-yl]methyl acetate"	362262	"NSC625873; CHEMBL1986400; NSC-625873; NCI60_008157; [3,4,5-triacetoxy-6-[5-[(2-methoxyphenyl)methyl]-3-phenyl-6-thioxo-1,2,4-triazin-1-yl]tetrahydropyran-2-yl]methyl acetate; 1,2,4-Triazine-6(1H)-thione, 5-[(2-methoxyphenyl)methyl]-3-phenyl-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625873	.	.	.	.	639.7	C31H33N3O10S	184	1190	2.9	45	0	12	14	"InChI=1S/C31H33N3O10S/c1-17(35)40-16-25-26(41-18(2)36)27(42-19(3)37)28(43-20(4)38)30(44-25)34-31(45)23(15-22-13-9-10-14-24(22)39-5)32-29(33-34)21-11-7-6-8-12-21/h6-14,25-28,30H,15-16H2,1-5H3"	CC(=O)OCC1C(C(C(C(O1)N2C(=S)C(=NC(=N2)C3=CC=CC=C3)CC4=CC=CC=C4OC)OC(=O)C)OC(=O)C)OC(=O)C	FGNLENOTGHPLKF-UHFFFAOYSA-N
DG53189	"dimethyl 6-nitro-2,3-dihydro-1H-cyclopenta[b]quinoxaline-1,3-dicarboxylate"	362267	"NSC625878; dimethyl 6-nitro-2,3-dihydro-1H-cyclopenta[b]quinoxaline-1,3-dicarboxylate; CHEMBL1977386; NSC-625878; NCI60_008162; Dimethyl 6-(hydroxy(oxido)amino)-2,3-dihydro-1H-cyclopenta[b]quinoxaline-1,3-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625878	.	.	.	.	331.28	C15H13N3O6	124	536	0.9	24	0	8	4	"InChI=1S/C15H13N3O6/c1-23-14(19)8-6-9(15(20)24-2)13-12(8)16-10-4-3-7(18(21)22)5-11(10)17-13/h3-5,8-9H,6H2,1-2H3"	COC(=O)C1CC(C2=NC3=C(C=CC(=C3)[N+](=O)[O-])N=C12)C(=O)OC	SPUHVDUAILHJNC-UHFFFAOYSA-N
DG53190	"2-(2,4-Dimethylanilino)benzo[f][1,3]benzothiazole-4,9-dione"	362271	"NSC625882; CHEMBL1984385; ZINC408506; 2-(2,4-dimethylanilino)benzo[f][1,3]benzothiazole-4,9-dione; Naphtho[2,3-d]thiazole-4,9-dione, 2-[(2,4-dimethylphenyl)amino]-; NSC-625882; NCI60_008166"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625882	.	.	.	.	334.4	C19H14N2O2S	87.3	526	5.2	24	1	5	2	"InChI=1S/C19H14N2O2S/c1-10-7-8-14(11(2)9-10)20-19-21-15-16(22)12-5-3-4-6-13(12)17(23)18(15)24-19/h3-9H,1-2H3,(H,20,21)"	CC1=CC(=C(C=C1)NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O)C	LYWOAEKZOHLZQE-UHFFFAOYSA-N
DG53191	"2-(4-Methylanilino)benzo[f][1,3]benzothiazole-4,9-dione"	362272	"NSC625883; CHEMBL1970613; 2-(4-methylanilino)benzo[f][1,3]benzothiazole-4,9-dione; ZINC408505; Naphtho[2,3-d]thiazole-4,9-dione, 2-[(4-methylphenyl)amino]-; NSC-625883; NCI60_008167"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625883	.	.	.	.	320.4	C18H12N2O2S	87.3	489	4.8	23	1	5	2	"InChI=1S/C18H12N2O2S/c1-10-6-8-11(9-7-10)19-18-20-14-15(21)12-4-2-3-5-13(12)16(22)17(14)23-18/h2-9H,1H3,(H,19,20)"	CC1=CC=C(C=C1)NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O	ANHRLFGGMHXEDA-UHFFFAOYSA-N
DG53192	"2-((1,4-Dimethoxy-9-acridinyl)thio)-N,N-diethylethanamine"	362326	"NSC625985; 141992-60-1; 2-((1,4-Dimethoxy-9-acridinyl)thio)-N,N-diethylethanamine; CHEMBL1987402; DTXSID60931285; ZINC5499403; NSC-625985; NCI60_008223; 9-[(2-Diethylaminoethyl)thio]-1,4-dimethoxyacridine; 2-((1,4-Dimethoxy-9-acridinyl)thio)-N,N-diethyl-ethanamine; 2-(1,4-dimethoxyacridin-9-yl)sulfanyl-N,N-diethyl-ethanamine; 2-[(1,4-Dimethoxyacridin-9-yl)sulfanyl]-N,N-diethylethan-1-amine; N-(2-((1,4-Dimethoxy-9-acridinyl)thio)ethyl)-N,N-diethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625985	.	.	.	.	370.5	C21H26N2O2S	59.9	421	4.8	26	0	5	8	"InChI=1S/C21H26N2O2S/c1-5-23(6-2)13-14-26-21-15-9-7-8-10-16(15)22-20-18(25-4)12-11-17(24-3)19(20)21/h7-12H,5-6,13-14H2,1-4H3"	CCN(CC)CCSC1=C2C(=CC=C(C2=NC3=CC=CC=C31)OC)OC	JZXAAMBURSYXLD-UHFFFAOYSA-N
DG53193	"10-(2-(Diethylamino)ethyl)-1,4-dimethoxy-9(10H)-acridinone"	362331	"NSC625990; 141992-58-7; CHEMBL1976636; DTXSID60327008; 10-(2-(Diethylamino)ethyl)-1,4-dimethoxy-9(10H)-acridinone; ZINC5499410; NSC-625990; NCI60_008228; 10-(2-diethylaminoethyl)-1,4-dimethoxy-acridin-9-one; 10-(2-(Diethylamino)ethyl)-1,4-dimethoxyacridin-9(10H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625990	.	.	.	.	354.4	C21H26N2O3	42	468	3.8	26	0	5	7	"InChI=1S/C21H26N2O3/c1-5-22(6-2)13-14-23-16-10-8-7-9-15(16)21(24)19-17(25-3)11-12-18(26-4)20(19)23/h7-12H,5-6,13-14H2,1-4H3"	CCN(CC)CCN1C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)OC)OC	IVUHEFXAWHNEER-UHFFFAOYSA-N
DG53194	"12-((11-(4-(2-(4-Oxo-2,5-cyclohexadien-1-ylidene)ethylidene)-1(4H)-pyridinyl)undecanoyl)amino)-N-pentyldodecanamide"	362343	"NSC626016; CHEMBL1980441; NSC-626016; NCI60_008237; 12-((11-(4-(2-(4-Oxo-2,5-cyclohexadien-1-ylidene)ethylidene)-1(4H)-pyridinyl)undecanoyl)amino)-N-pentyldodecanamide; 12-[11-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-1-pyridyl]undecanoylamino]-N-pentyl-dodecanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626016	.	.	.	.	648	C41H65N3O3	78.5	1030	10.5	47	2	4	28	"InChI=1S/C41H65N3O3/c1-2-3-19-32-42-40(46)22-17-13-9-5-4-7-11-15-20-33-43-41(47)23-18-14-10-6-8-12-16-21-34-44-35-30-38(31-36-44)25-24-37-26-28-39(45)29-27-37/h24-31,35-36H,2-23,32-34H2,1H3,(H,42,46)(H,43,47)"	CCCCCNC(=O)CCCCCCCCCCCNC(=O)CCCCCCCCCCN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1	AMPDXALGYOGJLP-UHFFFAOYSA-N
DG53195	"9-(Phenylimino)-2-tert-butylnaphth[2,3-d]oxazol-4(9H)-one"	362344	"NSC626029; CHEMBL2005805; {Naphth[2,3-d]oxazol-4(9H)-one,} 2-(1,1-dimethylethyl)-9- (phenylimino)-; NSC-626029; NCI60_008238; Naphth[2, 2-(1,1-dimethylethyl)-9- (phenylimino)-; 9-(Phenylimino)-2-tert-butylnaphth[2,3-d]oxazol-4(9H)-one; (9Z)-2-tert-butyl-9-phenylimino-benzo[f][1,3]benzoxazol-4-one; 2-tert-Butyl-9-(phenylimino)naphtho[2,3-d][1,3]oxazol-4(9H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626029	.	.	.	.	330.4	C21H18N2O2	55.5	545	5.5	25	0	4	2	"InChI=1S/C21H18N2O2/c1-21(2,3)20-23-17-18(24)15-12-8-7-11-14(15)16(19(17)25-20)22-13-9-5-4-6-10-13/h4-12H,1-3H3"	CC(C)(C)C1=NC2=C(O1)C(=NC3=CC=CC=C3)C4=CC=CC=C4C2=O	WLZDWLLUVZVUBY-UHFFFAOYSA-N
DG53196	"Naphth[2,3-d]oxazol-4-one, 2-(1,1-dimethylethyl)-9-[(4-fluorophenyl)imino]-"	362345	"NSC626030; CHEMBL1997607; NSC-626030; NCI60_008239; Naphth[2, 2-(1,1-dimethylethyl)-9-[(4- fluorophenyl)imino]-; (9Z)-2-tert-butyl-9-(4-fluorophenyl)imino-benzo[f][1,3]benzoxazol-4-one; 9-[(4-Fluorophenyl)imino]-2-tert-butylnaphth[2,3-d]oxazol-4(9H)-one; Naphth[2,3-d]oxazol-4-one, 2-(1,1-dimethylethyl)-9-[(4-fluorophenyl)imino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626030	.	.	.	.	348.4	C21H17FN2O2	55.5	577	5.6	26	0	5	2	"InChI=1S/C21H17FN2O2/c1-21(2,3)20-24-17-18(25)15-7-5-4-6-14(15)16(19(17)26-20)23-13-10-8-12(22)9-11-13/h4-11H,1-3H3"	CC(C)(C)C1=NC2=C(O1)C(=NC3=CC=C(C=C3)F)C4=CC=CC=C4C2=O	JHMXSOFFBBXSEB-UHFFFAOYSA-N
DG53197	"1,4-Anhydro-3,5-bis-O-(4-chlorobenzyl)-1-(4-methylphenyl)pentitol"	362352	"NSC626097; CHEMBL1992107; 1,4-Anhydro-3,5-bis-O-(4-chlorobenzyl)-1-(4-methylphenyl)pentitol; NSC-626097; NCI60_008246; 4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-(p-tolyl)tetrahydrofuran-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626097	.	.	.	.	473.4	C26H26Cl2O4	47.9	540	5.2	32	1	4	8	"InChI=1S/C26H26Cl2O4/c1-17-2-8-20(9-3-17)25-24(29)26(31-15-19-6-12-22(28)13-7-19)23(32-25)16-30-14-18-4-10-21(27)11-5-18/h2-13,23-26,29H,14-16H2,1H3"	CC1=CC=C(C=C1)C2C(C(C(O2)COCC3=CC=C(C=C3)Cl)OCC4=CC=C(C=C4)Cl)O	JCRFRNVHMVKZKM-UHFFFAOYSA-N
DG53198	4-Azido-3-[(4-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxymethyl]-5-methoxy-tetrahydrofuran	362354	"NSC626099; CHEMBL1995574; NSC-626099; NCI60_008248; 4-azido-3-[(4-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxymethyl]-5-methoxy-tetrahydrofuran; Methyl 3,5-bis-O-(4-chlorobenzyl)-2-deoxy-2-(2.lambda.~5~-1,2-triazadienyl)pentofuranoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626099	.	.	.	.	438.3	C20H21Cl2N3O4	51.3	536	4.9	29	0	6	9	"InChI=1S/C20H21Cl2N3O4/c1-26-20-18(24-25-23)19(28-11-14-4-8-16(22)9-5-14)17(29-20)12-27-10-13-2-6-15(21)7-3-13/h2-9,17-20H,10-12H2,1H3"	COC1C(C(C(O1)COCC2=CC=C(C=C2)Cl)OCC3=CC=C(C=C3)Cl)N=[N+]=[N-]	NBKQFQWEPBVLEY-UHFFFAOYSA-N
DG53199	"3H-Indol-3-one, 2-(2-methylphenyl)-, 1-oxide"	362360	"NSC626106; CHEMBL1976581; 3H-Indol-3-one, 2-(2-methylphenyl)-, 1-oxide; ZINC1618478; BDBM50235856; NSC-626106; NCI60_008253; 2-(o-tolyl)-1-oxido-indol-1-ium-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626106	.	.	.	.	237.25	C15H11NO2	45.8	388	2.4	18	0	2	1	"InChI=1S/C15H11NO2/c1-10-6-2-3-7-11(10)14-15(17)12-8-4-5-9-13(12)16(14)18/h2-9H,1H3"	CC1=CC=CC=C1C2=[N+](C3=CC=CC=C3C2=O)[O-]	FVLUSWMJOXATHL-UHFFFAOYSA-N
DG53200	5-Chloro-1-oxido-2-phenyl-indol-1-ium-3-one	362361	NSC626107; CHEMBL1974226; SCHEMBL21379756; ZINC1618479; NSC-626107; NCI60_008254; 5-chloro-1-oxido-2-phenyl-indol-1-ium-3-one; 5-Chloro-1-hydroxy-2-phenyl-3H-1lambda~5~-indol-3-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626107	.	.	.	.	257.67	C14H8ClNO2	45.8	387	2.7	18	0	2	1	InChI=1S/C14H8ClNO2/c15-10-6-7-12-11(8-10)14(17)13(16(12)18)9-4-2-1-3-5-9/h1-8H	C1=CC=C(C=C1)C2=[N+](C3=C(C2=O)C=C(C=C3)Cl)[O-]	QDQMICQBCNQCIY-UHFFFAOYSA-N
DG53201	1-Oxido-2-(p-tolyl)indol-1-ium-3-one	362362	"NSC626108; CHEMBL568601; NSC-626108; 1-oxido-2-(p-tolyl)indol-1-ium-3-one; NCI60_008255; 3H-Indol-3-one, 2-(4-methylphenyl)-, 1-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626108	.	.	.	.	237.25	C15H11NO2	45.8	380	2.4	18	0	2	1	"InChI=1S/C15H11NO2/c1-10-6-8-11(9-7-10)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9H,1H3"	CC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3C2=O)[O-]	JNFIGKJFZMHBHN-UHFFFAOYSA-N
DG53202	"3H-Indol-3-one, 2-(4-chlorophenyl)-, 1-oxide"	362363	"NSC626109; 3H-Indol-3-one, 2-(4-chlorophenyl)-, 1-oxide; CHEMBL576249; NSC-626109; NCI60_008256; 2-(4-Chlorophenyl)-3-oxo-3H-indole 1-oxide; 2-(4-chlorophenyl)-1-oxido-indol-1-ium-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626109	.	.	.	.	257.67	C14H8ClNO2	45.8	385	2.7	18	0	2	1	InChI=1S/C14H8ClNO2/c15-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)16(13)18/h1-8H	C1=CC=C2C(=C1)C(=O)C(=[N+]2[O-])C3=CC=C(C=C3)Cl	XOMOLSDIXFIBAL-UHFFFAOYSA-N
DG53203	2-(4-Bromophenyl)-3H-indol-3-one 1-oxide	362366	NSC626112; 2-(4-Bromophenyl)-3H-indol-3-one 1-oxide; CHEMBL1983368; ZINC1618484; NSC-626112; NCI60_008259; 2-(4-bromophenyl)-1-oxido-indol-1-ium-3-one; 2-(4-Bromophenyl)-1-hydroxy-3H-1.lambda.~5~-indol-3-one; 27820-27-5	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626112	.	.	.	.	302.12	C14H8BrNO2	45.8	385	2.8	18	0	2	1	InChI=1S/C14H8BrNO2/c15-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)16(13)18/h1-8H	C1=CC=C2C(=C1)C(=O)C(=[N+]2[O-])C3=CC=C(C=C3)Br	BHXMNNKOGJBVFU-UHFFFAOYSA-N
DG53204	1-[6-Methoxy-2-(2-thienyl)-4-quinolyl]-2-thiomorpholino-ethanol	362377	"NSC626121; CHEMBL2000023; NSC-626121; NCI60_008266; 1-[6-methoxy-2-(2-thienyl)-4-quinolyl]-2-thiomorpholino-ethanol; 4-Quinolinemethanol, 6-methoxy-2-(2-thienyl)-.alpha.-[(4-thiomorpholinyl) methyl]-; 4-Quinolinemethanol, 6-methoxy-2-(2-thienyl)-.alpha.-[(4-thiomorpholinyl)methyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626121	.	.	.	.	386.5	C20H22N2O2S2	99.1	450	3.1	26	1	6	5	"InChI=1S/C20H22N2O2S2/c1-24-14-4-5-17-15(11-14)16(12-18(21-17)20-3-2-8-26-20)19(23)13-22-6-9-25-10-7-22/h2-5,8,11-12,19,23H,6-7,9-10,13H2,1H3"	COC1=CC2=C(C=C1)N=C(C=C2C(CN3CCSCC3)O)C4=CC=CS4	OKNKEAGLYVCUDV-UHFFFAOYSA-N
DG53205	"4,13alpha-Epoxymuzigadial"	362379	"NSC626146; 4,13.alpha.-Epoxymuzigadial; 1-hydroxy-6,8a-dimethyl-spiro[4a,6,7,8-tetrahydro-4H-naphthalene-5,2'-oxirane]-1,2-dicarbaldehyde; 120166-31-6; 4,13-alpha-Epoxymuzigadial; Spiro[naphthalene-1(2H),2'-oxirane]-5,6-dicarboxaldehyde, 3,4,4a,5,8,8a-hexahydro-5-hydroxy-2,4a-dimethyl-; DTXSID10923251; NSC-626146; NCI60_008267; A804492; 5-Hydroxy-2,4a-dimethyl-3,4,4a,5,8,8a-hexahydro-2H-spiro[naphthalene-1,2'-oxirane]-5,6-dicarbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626146	.	.	.	.	264.32	C15H20O4	66.9	471	1.2	19	1	4	2	"InChI=1S/C15H20O4/c1-10-5-6-13(2)12(14(10)9-19-14)4-3-11(7-16)15(13,18)8-17/h3,7-8,10,12,18H,4-6,9H2,1-2H3"	CC1CCC2(C(C13CO3)CC=C(C2(C=O)O)C=O)C	IKBRISACRWTWBS-UHFFFAOYSA-N
DG53206	"2(5H)-Furanone, 4-bromo-3-butyl-5-(dibromomethylene)-"	362385	"NSC626155; CHEMBL450196; SCHEMBL6745453; 2(5H)-Furanone, 4-bromo-3-butyl-5-(dibromomethylene)-; DTXSID90327011; NSC-626155; 63025-36-5; NCI60_008273; 3-Butyl-4-bromo-5-(dibromomethylene)-2(5H)-furanone; 4-bromo-3-butyl-5-( dibromomethylene )-2(5h)-furanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626155	.	.	.	.	388.88	C9H9Br3O2	26.3	314	4.4	14	0	2	3	"InChI=1S/C9H9Br3O2/c1-2-3-4-5-6(10)7(8(11)12)14-9(5)13/h2-4H2,1H3"	CCCCC1=C(C(=C(Br)Br)OC1=O)Br	VGADRJOQALVEDC-UHFFFAOYSA-N
DG53207	Sterol sulphate	362386	Sterol sulphate; NSC626156; CHEMBL1994005; NSC-626156; NCI60_008274	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626156	.	.	.	.	412.5	C21H32O6S	109	798	2.7	28	2	6	3	"InChI=1S/C21H32O6S/c1-12(22)14-6-7-15-13-4-5-17-19(23)18(27-28(24,25)26)9-11-21(17,3)16(13)8-10-20(14,15)2/h5,13-16,18-19,23H,4,6-11H2,1-3H3,(H,24,25,26)/t13-,14+,15 ,16 ,18 ,19 ,20+,21+/m0/s1"	CC(=O)[C@H]1CCC2[C@@]1(CCC3[C@H]2CC=C4[C@@]3(CCC(C4O)OS(=O)(=O)O)C)C	QZLJWLSUXOQTNU-ZGETZVIFSA-N
DG53208	Girolline	362388	"Girolline; RP 49532; SCHEMBL9862352; CHEMBL1982734; NSC626159; NSC-626159; NCI60_008277; Q15634136; 1H-Imidazole-4-methanol, 2-amino-.alpha.-(2-amino-1- chloroethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626159	.	.	.	.	190.63	C6H11ClN4O	101	148	-1.4	12	4	4	3	"InChI=1S/C6H11ClN4O/c7-3(1-8)5(12)4-2-10-6(9)11-4/h2-3,5,12H,1,8H2,(H3,9,10,11)"	C1=C(NC(=N1)N)C(C(CN)Cl)O	YILCGOCHVFQMTC-UHFFFAOYSA-N
DG53209	2-Hydroxy discorhabdin D	362391	NSC626161; 2-Hydroxy discorhabdin D; NSC-626161	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626161	.	.	.	.	387.8	C18H14ClN3O3S	110	1060	.	26	3	7	0	"InChI=1S/C18H13N3O3S.ClH/c22-8-3-9-17-4-10(25-9)20-14-12(17)15-11-7(5-19-13(11)16(14)23)1-2-21(15)18(8,24)6-17;/h3,5,10,24H,1-2,4,6H2,(H,19,20,23);1H/t10 ,17-,18 ;/m1./s1"	C1C[N+]2=C3C4=C1C=NC4=C(C5=C3[C@@]67CC(N5)SC6=CC(=O)C2(C7)O)O.[Cl-]	VVCRENDCBPKIRI-NBMOHRBMSA-N
DG53210	Discorhabdin C . TFA	362393	"Discorhabdin C . TFA; NSC626162; Discorhabdin C trifluoroacetate; CHEMBL1998307; NSC-626162; 2',6'-dibromospiro[[ ]-[ ],4'-cyclohexa-2,5-diene]-1'-dione; 2,2,2-trifluoroacetic acid; 3,5-Dibromo-2',3',5',7',8',9'-hexahydro-4H,6'H-spiro[cyclohexa-2,5-diene-1,10'-pyrrolo[4,3,2-de][1,7]phenanthroline]-4,6'-dione trifluoroacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626162	.	.	.	.	577.1	C20H14Br2F3N3O4	111	1040	.	32	3	10	0	"InChI=1S/C18H13Br2N3O2.C2HF3O2/c19-9-5-18(6-10(20)16(9)24)2-4-22-15-12(18)13-11-8(1-3-21-13)7-23-14(11)17(15)25;3-2(4,5)1(6)7/h5-7,22,25H,1-4H2;(H,6,7)"	C1CN=C2C3=C1C=NC3=C(C4=C2C5(CCN4)C=C(C(=O)C(=C5)Br)Br)O.C(=O)(C(F)(F)F)O	HMHVISPKDSNOSH-UHFFFAOYSA-N
DG53211	Discorhabdin C-nitrodienone . TFA	362394	NSC626163; CHEMBL1995242; Discorhabdin C-nitrodienone . TFA; NSC-626163	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626163	.	.	.	.	622.1	C20H13Br2F3N4O6	157	1200	.	35	3	12	0	"InChI=1S/C18H12Br2N4O4.C2HF3O2/c19-8-5-18(24(27)28)2-4-22-15-10(11(18)12(20)16(8)25)13-9-7(1-3-21-13)6-23-14(9)17(15)26;3-2(4,5)1(6)7/h5-6,22,26H,1-4H2;(H,6,7)"	C1CN=C2C3=C1C=NC3=C(C4=C2C5=C(C(=O)C(=CC5(CCN4)[N+](=O)[O-])Br)Br)O.C(=O)(C(F)(F)F)O	YMTLBEAQYDZXHC-UHFFFAOYSA-N
DG53212	Discorhabdin C-phenol . TFA	362396	NSC626164; Discorhabdin C-phenol . TFA; CHEMBL1989631; NSC-626164	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626164	.	.	.	.	577.1	C20H14Br2F3N3O4	115	895	.	32	4	10	0	"InChI=1S/C18H13Br2N3O2.C2HF3O2/c19-9-5-7-1-3-22-16-12(10(7)13(20)17(9)24)14-11-8(2-4-21-14)6-23-15(11)18(16)25;3-2(4,5)1(6)7/h5-6,22,24-25H,1-4H2;(H,6,7)"	C1CNC2=C(C3=C(C(=C(C=C31)Br)O)Br)C4=NCCC5=C4C(=C2O)N=C5.C(=O)(C(F)(F)F)O	CUSZNAYEBHLVOJ-UHFFFAOYSA-N
DG53213	Discorhabdin C-dienol . TFA	362400	NSC626166; Discorhabdin C-dienol . TFA; CHEMBL1972474; NSC-626166	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626166	.	.	.	.	579.2	C20H16Br2F3N3O4	115	997	.	32	4	10	0	"InChI=1S/C18H15Br2N3O2.C2HF3O2/c19-9-5-18(6-10(20)16(9)24)2-4-22-15-12(18)13-11-8(1-3-21-13)7-23-14(11)17(15)25;3-2(4,5)1(6)7/h5-7,16,22,24-25H,1-4H2;(H,6,7)"	C1CN=C2C3=C1C=NC3=C(C4=C2C5(CCN4)C=C(C(C(=C5)Br)O)Br)O.C(=O)(C(F)(F)F)O	GPUIQJOWQMWQEH-UHFFFAOYSA-N
DG53214	Aplidazole C . TFA	362402	Aplidazole C . TFA; NSC626167; CHEMBL1987817; NSC-626167	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626167	.	.	.	.	456.5	C15H15F3N2O5S3	192	449	.	28	4	12	3	"InChI=1S/C13H14N2O3S3.C2HF3O2/c1-18-10-6-8(2-3-9(10)16)13(12-14-4-5-15-12)11(17)7-19-21-20-13;3-2(4,5)1(6)7/h2-6,11,16-17H,7H2,1H3,(H,14,15);(H,6,7)"	COC1=C(C=CC(=C1)C2(C(CSSS2)O)C3=NC=CN3)O.C(=O)(C(F)(F)F)O	JRDCMJQWKVTZAB-UHFFFAOYSA-N
DG53215	"Tetratert-butyl 8,11-dimethoxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate"	362411	"NSC626176; CHEMBL2001192; NSC-626176; NCI60_008294; 3a,7a-[1]Propeno-3H-indene-1,3,8,10-tetracarboxylic acid, 4,5,6,7-tetrahydro-2,9-dimethoxy-, tetrakis(1,1-dimethylethyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626176	.	.	.	.	620.8	C34H52O10	124	1160	5.7	44	0	10	14	"InChI=1S/C34H52O10/c1-29(2,3)41-25(35)19-23(39-13)20(26(36)42-30(4,5)6)34-18-16-15-17-33(19,34)21(27(37)43-31(7,8)9)24(40-14)22(34)28(38)44-32(10,11)12/h19,22H,15-18H2,1-14H3"	CC(C)(C)OC(=O)C1C(=C(C23C1(CCCC2)C(=C(C3C(=O)OC(C)(C)C)OC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OC	LRIANUOMFJTCSO-UHFFFAOYSA-N
DG53216	"2,6-dimethyl-N4,N8-diphenyl-oxazolo[5,4-f][1,3]benzoxazole-4,8-diimine"	362418	"NSC626303; CHEMBL1995484; NSC-626303; NCI60_008300; 2,6-Dimethyl-N,N'-diphenylbenzo[1,2-d:4,5-d']bisoxazole-4,8-diimine; 2,6-dimethyl-N4,N8-diphenyl-oxazolo[5,4-f][1,3]benzoxazole-4,8-diimine; N,N'-(2,6-Dimethyl[1,3]oxazolo[5,4-f][1,3]benzoxazole-4,8-diylidene)dianiline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626303	.	.	.	.	368.4	C22H16N4O2	76.8	570	5.5	28	0	6	2	"InChI=1S/C22H16N4O2/c1-13-23-17-19(25-15-9-5-3-6-10-15)22-18(24-14(2)28-22)20(21(17)27-13)26-16-11-7-4-8-12-16/h3-12H,1-2H3"	CC1=NC2=C(O1)C(=NC3=CC=CC=C3)C4=C(C2=NC5=CC=CC=C5)OC(=N4)C	HAJWBDIPNVYOLH-UHFFFAOYSA-N
DG53217	"5-Ethyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	362431	"NSC626380; 5-Ethyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; CHEMBL1979422; NSC-626380; 5-ethyl-2-phenyl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione; NCI60_008314"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626380	.	.	.	.	344.4	C22H20N2O2	53.2	585	3.9	26	1	2	2	"InChI=1S/C22H20N2O2/c1-2-13-12-16-19(20-18(13)15-10-6-7-11-17(15)23-20)22(26)24(21(16)25)14-8-4-3-5-9-14/h3-11,13,16,19,23H,2,12H2,1H3"	CCC1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=CC=C5	GTQKXNGZWXCFBI-UHFFFAOYSA-N
DG53218	"5-Isopentyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	362432	"NSC626381; 5-Isopentyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; CHEMBL1982207; NSC-626381; NCI60_008315; 5-isopentyl-2-phenyl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626381	.	.	.	.	386.5	C25H26N2O2	53.2	641	5.2	29	1	2	4	"InChI=1S/C25H26N2O2/c1-15(2)12-13-16-14-19-22(23-21(16)18-10-6-7-11-20(18)26-23)25(29)27(24(19)28)17-8-4-3-5-9-17/h3-11,15-16,19,22,26H,12-14H2,1-2H3"	CC(C)CCC1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=CC=C5	HYJNQPCLXJNAOY-UHFFFAOYSA-N
DG53219	"2-Phenyl-3a,3b,4,5,6,7,8,8a,13,13b-decahydro-1H-cyclohepta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione"	362439	"NSC626388; 2-Phenyl-3a,3b,4,5,6,7,8,8a,13,13b-decahydro-1H-cyclohepta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione; CHEMBL2002853; NSC-626388; NCI60_008322"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626388	.	.	.	.	384.5	C25H24N2O2	53.2	672	5.2	29	1	2	1	"InChI=1S/C25H24N2O2/c28-24-21-17-12-6-2-5-11-16(17)20-18-13-7-8-14-19(18)26-23(20)22(21)25(29)27(24)15-9-3-1-4-10-15/h1,3-4,7-10,13-14,16-17,21-22,26H,2,5-6,11-12H2"	C1CCC2C(CC1)C3=C(C4C2C(=O)N(C4=O)C5=CC=CC=C5)NC6=CC=CC=C63	FSLJXXUBILDXSE-UHFFFAOYSA-N
DG53220	"5-Methyl-2-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	362441	"NSC626390; 5-Methyl-2-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; CHEMBL1996402; NSC-626390; NCI60_008324"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626390	.	.	.	.	384.5	C25H24N2O2	53.2	686	4.9	29	1	2	1	"InChI=1S/C25H24N2O2/c1-14-11-12-16-18(13-14)21-22(23-20(16)17-9-5-6-10-19(17)26-23)25(29)27(24(21)28)15-7-3-2-4-8-15/h2-10,14,16,18,21-22,26H,11-13H2,1H3"	CC1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6	ZTXBFFRIMLSCDV-UHFFFAOYSA-N
DG53221	"3a,3b,4,5,6,6a,11,11b-Octahydro-1H-cyclopenta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione"	362442	"NSC626391; 3a,3b,4,5,6,6a,11,11b-Octahydro-1H-cyclopenta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione; CHEMBL1966616; NSC-626391; NCI60_008325"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626391	.	.	.	.	280.32	C17H16N2O2	62	505	2.3	21	2	2	0	"InChI=1S/C17H16N2O2/c20-16-13-9-6-3-5-8(9)12-10-4-1-2-7-11(10)18-15(12)14(13)17(21)19-16/h1-2,4,7-9,13-14,18H,3,5-6H2,(H,19,20,21)"	C1CC2C(C1)C3=C(C4C2C(=O)NC4=O)NC5=CC=CC=C53	BGLCHQRMAMFEPY-UHFFFAOYSA-N
DG53222	"5-tert-Butyl-2-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	362449	"NSC626396; 5-tert-Butyl-2-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; CHEMBL1970361; NSC-626396; NCI60_008330"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626396	.	.	.	.	426.5	C28H30N2O2	53.2	766	6.1	32	1	2	2	"InChI=1S/C28H30N2O2/c1-28(2,3)16-13-14-18-20(15-16)23-24(25-22(18)19-11-7-8-12-21(19)29-25)27(32)30(26(23)31)17-9-5-4-6-10-17/h4-12,16,18,20,23-24,29H,13-15H2,1-3H3"	CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6	WWCLAAVZIAXYMC-UHFFFAOYSA-N
DG53223	"1-(2,5-Dioxo-1-phenyl-3-pyrrolidinyl)-2-oxocyclohexanecarbonitrile"	362458	"NSC626405; 1-(2,5-Dioxo-1-phenyl-3-pyrrolidinyl)-2-oxocyclohexanecarbonitrile; CHEMBL1993308; NSC-626405; NCI60_008339; 1-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)-2-oxo-cyclohexanecarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626405	.	.	.	.	296.32	C17H16N2O3	78.2	556	1.3	22	0	4	2	"InChI=1S/C17H16N2O3/c18-11-17(9-5-4-8-14(17)20)13-10-15(21)19(16(13)22)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-10H2"	C1CCC(C(=O)C1)(C#N)C2CC(=O)N(C2=O)C3=CC=CC=C3	UYYXZAWHOKHEEU-UHFFFAOYSA-N
DG53224	"4-Oxo-5alpha-androstano[2,3-d]isoxazol-17beta-ol acetate"	362462	"NSC626411; CHEMBL1980700; NSC-626411; NCI60_008343; 4-Oxo-5.alpha.-androstano[2,3-d]isoxazol-17.beta.-ol acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626411	.	.	.	.	371.5	C22H29NO4	69.4	665	4.3	27	0	5	2	"InChI=1S/C22H29NO4/c1-12(24)26-18-7-6-15-14-4-5-17-19(25)20-13(11-23-27-20)10-22(17,3)16(14)8-9-21(15,18)2/h11,14-18H,4-10H2,1-3H3/t14-,15 ,16 ,17 ,18-,21-,22+/m0/s1"	CC(=O)O[C@H]1CCC2[C@@]1(CCC3[C@H]2CCC4[C@@]3(CC5=C(C4=O)ON=C5)C)C	SKAUQTZOMFSDQC-BHXHJNTASA-N
DG53225	"3-Oxo-4-androstene-2-carbonitrile-4,17beta-diol"	362463	"NSC626412; 3-Oxo-4-androstene-2-carbonitrile-4,17.beta.-diol; CHEMBL1973147; NSC-626412; NCI60_008344"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626412	.	.	.	.	329.4	C20H27NO3	81.3	674	3.2	24	2	4	0	"InChI=1S/C20H27NO3/c1-19-8-7-14-12(13(19)5-6-16(19)22)3-4-15-18(24)17(23)11(10-21)9-20(14,15)2/h11-14,16,22,24H,3-9H2,1-2H3/t11 ,12-,13 ,14 ,16-,19-,20+/m0/s1"	C[C@]12CCC3[C@H](C1CC[C@@H]2O)CCC4=C(C(=O)C(C[C@]34C)C#N)O	OWPZGBFPVXSVIP-JQATYNBUSA-N
DG53226	"4,17beta-Dihydroxy-3-oxo-4-androstene-2-carbonitrile-17-acetate"	362465	"NSC626414; 4,17.beta.-Dihydroxy-3-oxo-4-androstene -2-carbonitrile-17-acetate; CHEMBL1968487; NSC-626414; NCI60_008346"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626414	.	.	.	.	371.5	C22H29NO4	87.4	776	3.7	27	1	5	2	"InChI=1S/C22H29NO4/c1-12(24)27-18-7-6-15-14-4-5-17-20(26)19(25)13(11-23)10-22(17,3)16(14)8-9-21(15,18)2/h13-16,18,26H,4-10H2,1-3H3/t13 ,14-,15 ,16 ,18-,21-,22+/m0/s1"	CC(=O)O[C@H]1CCC2[C@@]1(CCC3[C@H]2CCC4=C(C(=O)C(C[C@]34C)C#N)O)C	MHUSDNCLXWFRLU-GWTFTYCASA-N
DG53227	3-Nitro-5-formylisoxazole	362479	3-Nitro-5-formylisoxazole; NSC626433; NCIMech_000754; SCHEMBL6887487; 3-nitroisoxazole-5-carbaldehyde; CHEMBL1987557; ZINC1618618; CCG-35872; NSC-626433; NCI60_008360; 3-(Hydroxy(oxido)amino)-5-isoxazolecarbaldehyde	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626433	.	.	.	.	142.07	C4H2N2O4	88.9	154	0.3	10	0	5	1	InChI=1S/C4H2N2O4/c7-2-3-1-4(5-10-3)6(8)9/h1-2H	C1=C(ON=C1[N+](=O)[O-])C=O	QBOPICQGFGIYPY-UHFFFAOYSA-N
DG53228	2-[(Cyclohexylcarbonyl)amino]benzoic acid	362493	"2-[(Cyclohexylcarbonyl)amino]benzoic acid; 25437-73-4; 2-(Cyclohexanecarboxamido)benzoic acid; 2-(cyclohexanecarbonylamino)benzoic acid; Benzoic acid, 2-[(cyclohexylcarbonyl)amino]-; NSC626516; 2-cyclohexaneamidobenzoic acid; N-Cyclohexanecarbonylanthranilic acid; Cambridge id 7137130; Oprea1_600739; SCHEMBL7814976; CHEMBL1979280; ZINC240954; ALBB-016577; MFCD00223756; STK028257; AKOS000128363; MCULE-3541935977; NSC-626516; LS-05184; NCI60_008370; 2-[(Cyclohexylcarbonyl)amino]benzoic acid #; F21107; SR-01000392947; SR-01000392947-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626516	.	.	.	.	247.29	C14H17NO3	66.4	310	4	18	2	3	3	"InChI=1S/C14H17NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h4-5,8-10H,1-3,6-7H2,(H,15,16)(H,17,18)"	C1CCC(CC1)C(=O)NC2=CC=CC=C2C(=O)O	TVONCUQFOOJSCC-UHFFFAOYSA-N
DG53229	Methyl 4-chloro-N-cyclohexylcarbonylanthranilate	362496	"NSC626519; Methyl 4-chloro-N-cyclohexylcarbonylanthranilate; methyl 4-chloro-2-(cyclohexanecarbonylamino)benzoate; CHEMBL1996334; ZINC1618633; Benzoic acid, 4-chloro-2-[(cyclohexylcarbonyl)amino]-, methyl ester; NSC-626519; NCI60_008373; Methyl 4-chloro-2-[(cyclohexylcarbonyl)amino]benzoate #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626519	.	.	.	.	295.76	C15H18ClNO3	55.4	355	4.5	20	1	3	4	"InChI=1S/C15H18ClNO3/c1-20-15(19)12-8-7-11(16)9-13(12)17-14(18)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,17,18)"	COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2CCCCC2	OVIZECCRTFGJFQ-UHFFFAOYSA-N
DG53230	"3,5-Bis(methylsulfanyl)dithiol-1-ium-4-ol"	362515	"NSC626539; CHEMBL1997622; NSC-626539; 3,5-bis(methylsulfanyl)dithiol-1-ium-4-ol; 3,5-Bis(methylthio)-1.lambda.~4~,2-dithiol-4-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626539	.	.	.	.	210.4	C5H6OS4	130	97.8	.	10	0	4	2	InChI=1S/C5H6OS4/c1-7-4-3(6)5(8-2)10-9-4/h1-2H3	CSC1=C(C(=[S+]S1)SC)[O-]	AMSLVAGKYMPJGI-UHFFFAOYSA-N
DG53231	"1, N-(2-chloroethyl)-N'-(2-methoxy-9-acridinyl)-N-methyl-, dihydrochloride"	362517	"NSC626540; CHEMBL1968689; NSC-626540; 1, N-(2-chloroethyl)-N'-(2-methoxy-9- acridinyl)-N-methyl-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626540	.	.	.	.	394.3	C20H25Cl2N3O	37.4	397	.	26	2	4	8	"InChI=1S/C20H24ClN3O.ClH/c1-24(13-10-21)12-5-11-22-20-16-6-3-4-7-18(16)23-19-9-8-15(25-2)14-17(19)20;/h3-4,6-9,14H,5,10-13H2,1-2H3,(H,22,23);1H"	CN(CCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl.Cl	LGUSPCRJHJGPTQ-UHFFFAOYSA-N
DG53232	"N2,N4,N6-Tripivaloyloxymethyl-N2,N4,N6-trimethylmelamine"	362525	"NSC626552; CHEMBL1982795; ZINC5882760; NSC-626552; NCI60_008404; N2,N6-Tripivaloyloxymethyl-N2,N4,N6-trimethylmelamine; N2,N4,N6-Tripivaloyloxymethyl-N2,N4,N6-trimethylmelamine; ((4,6-Bis((((2,2-dimethylpropanoyl)oxy)methyl)(methyl)amino)-1,3,5-triazin-2-yl)(methyl)amino)methyl pivalate; [[4,6-bis[2,2-dimethylpropanoyloxymethyl(methyl)amino]-1,3,5-triazin-2-yl]-methyl-amino]methyl 2,2-dimethylpropanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626552	.	.	.	.	510.6	C24H42N6O6	127	646	5.5	36	0	12	15	"InChI=1S/C24H42N6O6/c1-22(2,3)16(31)34-13-28(10)19-25-20(29(11)14-35-17(32)23(4,5)6)27-21(26-19)30(12)15-36-18(33)24(7,8)9/h13-15H2,1-12H3"	CC(C)(C)C(=O)OCN(C)C1=NC(=NC(=N1)N(C)COC(=O)C(C)(C)C)N(C)COC(=O)C(C)(C)C	MIHXHXSBWFLLEV-UHFFFAOYSA-N
DG53233	2-[[3-methyl-1-(4-methylbenzoyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid	362547	NSC626621; CHEMBL1968056; NSC-626621; NCI60_008414	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626621	.	.	.	.	364.4	C19H16N4O4	112	667	3.1	27	1	7	4	"InChI=1S/C19H16N4O4/c1-11-7-9-13(10-8-11)17(24)23-18(25)16(12(2)22-23)21-20-15-6-4-3-5-14(15)19(26)27/h3-10,16H,1-2H3,(H,26,27)"	CC1=CC=C(C=C1)C(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=CC=C3C(=O)O	AUHYMQXXPORJMG-UHFFFAOYSA-N
DG53234	2-[(1-benzoyl-3-methyl-5-oxo-4H-pyrazol-4-yl)diazenyl]benzoic acid	362548	NSC626622; CHEMBL1977425; NSC-626622; NCI60_008415	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626622	.	.	.	.	350.3	C18H14N4O4	112	639	2.7	26	1	7	4	"InChI=1S/C18H14N4O4/c1-11-15(20-19-14-10-6-5-9-13(14)18(25)26)17(24)22(21-11)16(23)12-7-3-2-4-8-12/h2-10,15H,1H3,(H,25,26)"	CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C(=O)C3=CC=CC=C3	OINAKONFDMULMT-UHFFFAOYSA-N
DG53235	Erybraedin A	362562	"Erybraedin A; Erybraedin; 119269-76-0; NSC626645; 4-Prenylphaseollidin; (6aR,11aR)-3,9-Dihydroxy-4,10-diprenylpterocarpan; NSC 626645; 4,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol; CHEMBL1984704; DTXSID40922914; LMPK12070044; NSC-626645; 6H-Benzofuro(3,2-c)(1)benzopyran-3,9-diol, 6a,11a-dihydro-4,10-bis(3-methyl-2-butenyl)-, (6aR,11aR-cis)-; NCI60_008428; XE161736; 4,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-benzofuro[3,2-c]chromene-3,9-diol; 4,10-Bis(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c][1]benzopyran-3,9-diol; 6a,11a-Dihydro-4,10-bis(3-methyl-2-butenyl)-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol, 9CI; 6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol, 6a,11a-dihydro-4,10-bis(3-methyl-2-butenyl)-, (6aR, 11aR-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626645	.	.	.	.	392.5	C25H28O4	58.9	633	6.1	29	2	4	4	"InChI=1S/C25H28O4/c1-14(2)5-7-17-21(26)12-10-19-23(17)28-13-20-16-9-11-22(27)18(8-6-15(3)4)24(16)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3"	CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C=CC(=C4CC=C(C)C)O)O)C	HOGHBEDTLGAJAS-UHFFFAOYSA-N
DG53236	"4-Hydroxy-3,5,8-trimethylenedecahydroazuleno[6,5-b]furan-2(3H)-one"	362584	"NSC626673; 4-Hydroxy-3,5,8-trimethylenedecahydroazuleno[6,5-b]furan-2(3H)-one; NSC-626673; NCI60_008435; 9-hydroxy-1,5,8-trimethylene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626673	.	.	.	.	246.3	C15H18O3	46.5	462	1.6	18	1	3	0	"InChI=1S/C15H18O3/c1-7-4-5-10-8(2)6-11-13(14(16)12(7)10)9(3)15(17)18-11/h10-14,16H,1-6H2"	C=C1CCC2C1C(C3C(CC2=C)OC(=O)C3=C)O	BFJZGJOZEZXOIT-UHFFFAOYSA-N
DG53237	"2,6-Bis(4-methoxyphenyl)-3,5-dimethyl-1-nitroso-4-piperidinone"	362604	"NSC626734; MLS002701624; 2,6-Bis(4-methoxyphenyl)-3,5-dimethyl-1-nitroso-4-piperidinone; CHEMBL1904146; NSC-626734; NCI60_008443; SMR001565225; 2,6-bis(4-methoxyphenyl)-3,5-dimethyl-1-nitroso-piperidin-4-one; 4-Piperidinone, 2,6-bis(4-methoxyphenyl)-3,5-dimethyl- 1-nitroso-; 4-Piperidinone,6-bis(4-methoxyphenyl)-3,5-dimethyl- 1-nitroso-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626734	.	.	.	.	368.4	C21H24N2O4	68.2	472	3.8	27	0	6	4	"InChI=1S/C21H24N2O4/c1-13-19(15-5-9-17(26-3)10-6-15)23(22-25)20(14(2)21(13)24)16-7-11-18(27-4)12-8-16/h5-14,19-20H,1-4H3"	CC1C(N(C(C(C1=O)C)C2=CC=C(C=C2)OC)N=O)C3=CC=C(C=C3)OC	KYFMXVBBZSFPFK-UHFFFAOYSA-N
DG53238	"3,5-Dimethyl-1-nitroso-2,6-diphenyl-4-piperidinone"	362605	"NSC626735; MLS002701625; 3,5-Dimethyl-1-nitroso-2,6-diphenyl-4-piperidinone; CHEMBL1871102; NSC-626735; NCI60_008444; SMR001565226; 4-Piperidinone,5-dimethyl-1-nitroso-2,6-diphenyl-; 3,5-dimethyl-1-nitroso-2,6-diphenyl-piperidin-4-one; 4-Piperidinone, 3,5-dimethyl-1-nitroso-2,6-diphenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626735	.	.	.	.	308.4	C19H20N2O2	49.7	393	3.8	23	0	4	2	"InChI=1S/C19H20N2O2/c1-13-17(15-9-5-3-6-10-15)21(20-23)18(14(2)19(13)22)16-11-7-4-8-12-16/h3-14,17-18H,1-2H3"	CC1C(N(C(C(C1=O)C)C2=CC=CC=C2)N=O)C3=CC=CC=C3	YUHUPQOJSQYNQE-UHFFFAOYSA-N
DG53239	"1-Nitroso-2,6-diphenylpiperidine"	362606	"NSC626736; 1-Nitroso-2,6-diphenylpiperidine; CHEMBL1967000; 1-nitroso-2,6-diphenyl-piperidine; N-nitroso-2,6-diphenyl piperidine; NSC-626736; NCI60_008445"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626736	.	.	.	.	266.34	C17H18N2O	32.7	282	4.1	20	0	3	2	"InChI=1S/C17H18N2O/c20-18-19-16(14-8-3-1-4-9-14)12-7-13-17(19)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2"	C1CC(N(C(C1)C2=CC=CC=C2)N=O)C3=CC=CC=C3	MORPGHSBVNIXMM-UHFFFAOYSA-N
DG53240	"2,4-Bis(4-methoxyphenyl)-3-nitroso-3-azabicyclo[3.3.1]nonan-9-one"	362607	"NSC626737; 2,4-Bis(4-methoxyphenyl)-3-nitroso-3-azabicyclo[3.3.1]nonan-9-one; CHEMBL1972132; NSC-626737; NCI60_008446"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626737	.	.	.	.	380.4	C22H24N2O4	68.2	513	3.7	28	0	6	4	"InChI=1S/C22H24N2O4/c1-27-16-10-6-14(7-11-16)20-18-4-3-5-19(22(18)25)21(24(20)23-26)15-8-12-17(28-2)13-9-15/h6-13,18-21H,3-5H2,1-2H3"	COC1=CC=C(C=C1)C2C3CCCC(C3=O)C(N2N=O)C4=CC=C(C=C4)OC	QWNRHWNQHLYNSX-UHFFFAOYSA-N
DG53241	"3-Methyl-1-nitroso-2,6-di(2-thienyl)-4-piperidinone"	362610	"NSC626740; 3-Methyl-1-nitroso-2,6-di(2-thienyl)-4-piperidinone; CHEMBL1968083; NSC-626740; NCI60_008449; 3-methyl-1-nitroso-2,6-bis(2-thienyl)piperidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626740	.	.	.	.	306.4	C14H14N2O2S2	106	393	2.7	20	0	6	2	"InChI=1S/C14H14N2O2S2/c1-9-11(17)8-10(12-4-2-6-19-12)16(15-18)14(9)13-5-3-7-20-13/h2-7,9-10,14H,8H2,1H3"	CC1C(N(C(CC1=O)C2=CC=CS2)N=O)C3=CC=CS3	GSLUMCCDDSVQBE-UHFFFAOYSA-N
DG53242	"3-Nitroso-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one"	362611	"NSC626741; 3-Nitroso-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one; CHEMBL2003679; NSC-626741; NCI60_008450"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626741	.	.	.	.	320.4	C20H20N2O2	49.7	432	3.8	24	0	4	2	"InChI=1S/C20H20N2O2/c23-20-16-12-7-13-17(20)19(15-10-5-2-6-11-15)22(21-24)18(16)14-8-3-1-4-9-14/h1-6,8-11,16-19H,7,12-13H2"	C1CC2C(N(C(C(C1)C2=O)C3=CC=CC=C3)N=O)C4=CC=CC=C4	SOUCXSPGNDLPLZ-UHFFFAOYSA-N
DG53243	"3,6-Dimethyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one"	362612	"NSC626742; 3,6-Dimethyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one; CHEMBL1978512; NSC-626742; NCI60_008451; Hexahydro-2,7-diphenyl-1-nitroso-3,6-dimethyl-5H-1,4-diazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626742	.	.	.	.	323.4	C19H21N3O2	61.8	444	3.3	24	1	4	2	"InChI=1S/C19H21N3O2/c1-13-17(15-9-5-3-6-10-15)22(21-24)18(14(2)20-19(13)23)16-11-7-4-8-12-16/h3-14,17-18H,1-2H3,(H,20,23)"	CC1C(N(C(C(NC1=O)C)C2=CC=CC=C2)N=O)C3=CC=CC=C3	NGMGPYNQJAKUED-UHFFFAOYSA-N
DG53244	"3-Methyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one"	362614	"NSC626744; 3-Methyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one; CHEMBL1996432; NSC-626744; NCI60_008453; Hexahydro-2,7-diphenyl-1-nitroso-3-methyl-5H-1,4-diazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626744	.	.	.	.	309.4	C18H19N3O2	61.8	417	2.7	23	1	4	2	"InChI=1S/C18H19N3O2/c1-13-18(15-10-6-3-7-11-15)21(20-23)16(12-17(22)19-13)14-8-4-2-5-9-14/h2-11,13,16,18H,12H2,1H3,(H,19,22)"	CC1C(N(C(CC(=O)N1)C2=CC=CC=C2)N=O)C3=CC=CC=C3	QQAIQSYUNZHALI-UHFFFAOYSA-N
DG53245	"1-(2-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	362616	"136994-95-1; NSC626757; 1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(2-methylphenyl)-; 1-(o-tolyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole; 1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2-methylphenyl)-; 1H,3H-Thiazolo[3,4-a]benzimidazole,1-(2-methylphenyl)-; 1-(2-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole; CHEMBL2002983; DTXSID50929631; NSC-626757; NCI60_008455; 1-(2-Methylphenyl)-1H,3H-[1,3]thiazolo[3,4-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626757	.	.	.	.	266.4	C16H14N2S	43.1	335	3.8	19	0	2	1	"InChI=1S/C16H14N2S/c1-11-6-2-3-7-12(11)16-18-14-9-5-4-8-13(14)17-15(18)10-19-16/h2-9,16H,10H2,1H3"	CC1=CC=CC=C1C2N3C(=NC4=CC=CC=C43)CS2	ZTMUGRMOFPWTFX-UHFFFAOYSA-N
DG53246	"1-(2-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	362617	"NSC626758; 136995-00-1; 1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(2-(trifluoromethyl)phenyl)-; 1-(2-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole; 1-[2-(trifluoromethyl)phenyl]-1,3-dihydrothiazolo[3,4-a]benzimidazole; 1H,3H-Thiazolo[3,4-a]benzimidazole, 1-[2-(trifluoromethyl)phenyl]-; CHEMBL1979853; DTXSID50929636; NSC-626758; NCI60_008456; 1-[2-(Trifluoromethyl)phenyl]-1H,3H-[1,3]thiazolo[3,4-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626758	.	.	.	.	320.3	C16H11F3N2S	43.1	417	4.3	22	0	5	1	"InChI=1S/C16H11F3N2S/c17-16(18,19)11-6-2-1-5-10(11)15-21-13-8-4-3-7-12(13)20-14(21)9-22-15/h1-8,15H,9H2"	C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4C(F)(F)F	XRQBDCFVJBPNHH-UHFFFAOYSA-N
DG53247	"1-(3-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	362618	"136995-01-2; NSC626759; 1H,3H-Thiazolo[3,4-a]benzimidazole, 1-[3-(trifluoromethyl)phenyl]-; 1-[3-(trifluoromethyl)phenyl]-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole; 1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(3-(trifluoromethyl)phenyl)-; 1-(3-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole; 1-[3-(trifluoromethyl)phenyl]-1,3-dihydrothiazolo[3,4-a]benzimidazole; CHEMBL1974502; DTXSID10929637; NSC-626759; NCI60_008457; 1-[3-(Trifluoromethyl)phenyl]-1H,3H-[1,3]thiazolo[3,4-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626759	.	.	.	.	320.3	C16H11F3N2S	43.1	417	4.3	22	0	5	1	"InChI=1S/C16H11F3N2S/c17-16(18,19)11-5-3-4-10(8-11)15-21-13-7-2-1-6-12(13)20-14(21)9-22-15/h1-8,15H,9H2"	C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC=C4)C(F)(F)F	XTLVALLIRNCOGM-UHFFFAOYSA-N
DG53248	"1H,3H-Thiazolo[3,4-a]benzimidazole, 1-[4-(trifluoromethyl)phenyl]-"	362619	"136995-02-3; NSC626760; 1H,3H-Thiazolo[3,4-a]benzimidazole, 1-[4-(trifluoromethyl)phenyl]-; 1-[4-(trifluoromethyl)phenyl]-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole; 1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(4-(trifluoromethyl)phenyl)-; 1-[4-(trifluoromethyl)phenyl]-1,3-dihydrothiazolo[3,4-a]benzimidazole; 1-(4-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole; CHEMBL1988867; DTXSID70929638; NSC-626760; NCI60_008458; 1-[4-(Trifluoromethyl)phenyl]-1H,3H-[1,3]thiazolo[3,4-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626760	.	.	.	.	320.3	C16H11F3N2S	43.1	409	4.3	22	0	5	1	"InChI=1S/C16H11F3N2S/c17-16(18,19)11-7-5-10(6-8-11)15-21-13-4-2-1-3-12(13)20-14(21)9-22-15/h1-8,15H,9H2"	C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)C(F)(F)F	MYYGTKQABBLHEM-UHFFFAOYSA-N
DG53249	"1-(3-Hydroxyphenyl)-1H,3H-thiazolo[3,4-a]benzimidazole"	362623	"136994-92-8; NSC626764; 1-(3-Hydroxyphenyl)-1H,3H-thiazolo[3,4-a]benzimidazole; 3-(1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl)phenol; Phenol, 3-(1H,3H-thiazolo(3,4-a)benzimidazol-1-yl)-; 3-(1,3-dihydrothiazolo[3,4-a]benzimidazol-1-yl)phenol; Phenol, 3-(1H,3H-thiazolo[3,4-a]benzimidazol-1-yl)-; 3-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenol; CHEMBL1994632; DTXSID80929629; NSC-626764; NCI60_008462; 3-(1H,3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626764	.	.	.	.	268.3	C15H12N2OS	63.4	340	3.1	19	1	3	1	"InChI=1S/C15H12N2OS/c18-11-5-3-4-10(8-11)15-17-13-7-2-1-6-12(13)16-14(17)9-19-15/h1-8,15,18H,9H2"	C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC=C4)O	YVSMVNPXTNBYHV-UHFFFAOYSA-N
DG53250	"1-[5-Chloro-2-nitrophenyl]-3H-thiazolo[3,4-a]benzimidazole"	362626	"NSC626767; CHEMBL1970878; NSC-626767; NCI60_008465; 1-[5-Chloro-2-nitrophenyl]-3H-thiazolo[3,4-a]benzimidazole; 1-(5-chloro-2-nitro-phenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole; 1-(5-Chloro-2-(hydroxy(oxido)amino)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626767	.	.	.	.	331.8	C15H10ClN3O2S	88.9	449	3.9	22	0	4	1	"InChI=1S/C15H10ClN3O2S/c16-9-5-6-12(19(20)21)10(7-9)15-18-13-4-2-1-3-11(13)17-14(18)8-22-15/h1-7,15H,8H2"	C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]	MVWZAKQZPDBCEA-UHFFFAOYSA-N
DG53251	"1-(3,5-Diphenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-1,2,3,4-butanetetrol"	362640	"NSC626826; 1-(3,5-Diphenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-1,2,3,4-butanetetrol; CHEMBL1987506; 1-(3,5-diphenyl-2H-1,3,4-thiadiazol-2-yl)butane-1,2,3,4-tetrol; NSC-626826; NCI60_008479; 1,4-Thiadiazole, 2,3-dihydro-3,5-diphenyl-2- (1,2,3,4-tetrahydroxybutyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626826	.	.	.	.	360.4	C18H20N2O4S	122	452	1.8	25	4	7	6	"InChI=1S/C18H20N2O4S/c21-11-14(22)15(23)16(24)18-20(13-9-5-2-6-10-13)19-17(25-18)12-7-3-1-4-8-12/h1-10,14-16,18,21-24H,11H2"	C1=CC=C(C=C1)C2=NN(C(S2)C(C(C(CO)O)O)O)C3=CC=CC=C3	SQMQFRFGCSHRSM-UHFFFAOYSA-N
DG53252	Furan-2-glyoxal-2'-amino thiophenol	362641	NSC626850; Furan-2-glyoxal-2'-amino thiophenol; CHEMBL1966766; NSC-626850; NCI60_008480; 1-(2-Furyl)-2-((2-mercaptophenyl)imino)ethanone; (2E)-1-(2-furyl)-2-(2-sulfanylphenyl)imino-ethanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626850	.	.	.	.	231.27	C12H9NO2S	43.6	280	2.7	16	1	4	3	"InChI=1S/C12H9NO2S/c14-10(11-5-3-7-15-11)8-13-9-4-1-2-6-12(9)16/h1-8,16H"	C1=CC=C(C(=C1)N=CC(=O)C2=CC=CO2)S	FSKMEBWHONIGID-UHFFFAOYSA-N
DG53253	Cyclohexanamine; (1-phosphono-2-propylsulfanyl-ethyl)phosphonic acid	362651	"NSC626867; CHEMBL1999986; NSC-626867; Phosphonic acid, [2-(propylthio)ethylidene]bis-, compd. with cyclohexanamine (1:1); NCI60_008492; cyclohexanamine; (1-phosphono-2-propylsulfanyl-ethyl)phosphonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626867	.	.	.	.	363.35	C11H27NO6P2S	166	281	.	21	5	8	6	"InChI=1S/C6H13N.C5H14O6P2S/c7-6-4-2-1-3-5-6;1-2-3-14-4-5(12(6,7)8)13(9,10)11/h6H,1-5,7H2;5H,2-4H2,1H3,(H2,6,7,8)(H2,9,10,11)"	CCCSCC(P(=O)(O)O)P(=O)(O)O.C1CCC(CC1)N	CYBBPRHFJOFCMN-UHFFFAOYSA-N
DG53254	"4-Methylnaphtho[2,3-d][1,3]dioxepine-6,11-dione"	362653	"NSC626868; 4-Methylnaphtho[2,3-d][1,3]dioxepine-6,11-dione; 4-methylbenzo[h][1,3]benzodioxepine-6,11-dione; CHEMBL2003334; ZINC1618742; NSC-626868; NCI60_008493; Naphtho[2,3-dioxepin-6,11-dione, 4-methyl-; {Naphtho[2,3-d]-1,3-dioxepin-6,11-dione,} 4-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626868	.	.	.	.	242.23	C14H10O4	52.6	472	2.4	18	0	4	0	"InChI=1S/C14H10O4/c1-8-6-11-12(15)9-4-2-3-5-10(9)13(16)14(11)18-7-17-8/h2-6H,7H2,1H3"	CC1=CC2=C(C(=O)C3=CC=CC=C3C2=O)OCO1	BKFZQMIRRZGNCG-UHFFFAOYSA-N
DG53255	"2-Cyclopenten-1-one, hydrochloride"	362663	"MLS002701626; NSC626876; CHEMBL1699592; 2-Cyclopenten-1-one, hydrochloride; NSC-626876; SMR001565227"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626876	.	.	.	.	349.9	C21H32ClNO	20.3	416	.	24	1	2	7	"InChI=1S/C21H31NO.ClH/c1-15(2)12-17-6-8-18(9-7-17)16(3)13-19-10-11-20(21(19)23)14-22(4)5;/h6-10,15-16,20H,11-14H2,1-5H3;1H"	CC(C)CC1=CC=C(C=C1)C(C)CC2=CCC(C2=O)CN(C)C.Cl	XPGPBGPRPPCIOM-UHFFFAOYSA-N
DG53256	5-[(Dimethylamino)methyl]-2-octylcyclopent-2-en-1-one;hydrochloride	362665	NSC626877; CHEMBL2000726; NSC-626877	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626877	.	.	.	.	287.9	C16H30ClNO	20.3	281	.	19	1	2	9	"InChI=1S/C16H29NO.ClH/c1-4-5-6-7-8-9-10-14-11-12-15(16(14)18)13-17(2)3;/h11,15H,4-10,12-13H2,1-3H3;1H"	CCCCCCCCC1=CCC(C1=O)CN(C)C.Cl	IYUUWHBPURSVMX-UHFFFAOYSA-N
DG53257	NSC626915	362684	"7-Methyl-3-[2-methyl-3-(7-methyl-4-oxo-8-phenyl-pyrazolo[5,1-d][1,2,3,5]tetrazin-3-yl)phenyl]-8-phenyl-pyrazolo[5,1-d][1,2,3,5]tetrazin-4-one; NSC626915; CHEMBL1971789; ZINC1618799; NSC-626915; NCI60_008513; 7-methyl-3-[2-methyl-3-(7-methyl-4-oxo-8-phenyl-pyrazolo[5,1-d][1,2,3,5]tetrazin-3-yl)phenyl]-8-phenyl-pyrazolo[5,1-d][1,2,3,5]tetrazin-4-one; Pyrazolo[5,1-d]-1,2,3,5-tetrazin-4(3H)-one, 3,3'-(2-methyl-1,3-phenylene)bis[7-methyl-8-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626915	.	.	.	.	542.6	C29H22N10O2	126	978	6.9	41	0	8	4	"InChI=1S/C29H22N10O2/c1-17-22(36-28(40)38-26(30-34-36)24(18(2)32-38)20-11-6-4-7-12-20)15-10-16-23(17)37-29(41)39-27(31-35-37)25(19(3)33-39)21-13-8-5-9-14-21/h4-16H,1-3H3"	CC1=C(C=CC=C1N2C(=O)N3C(=C(C(=N3)C)C4=CC=CC=C4)N=N2)N5C(=O)N6C(=C(C(=N6)C)C7=CC=CC=C7)N=N5	QOOYVEKSTHORBJ-UHFFFAOYSA-N
DG53258	"2,4,4a,5-Tetrahydro-8-amino-3H-indeno(1,2-c)pyridazin-3-one"	362753	"NSC627012; 114915-67-2; 8-amino-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one; 2,4,4a,5-Tetrahydro-8-amino-3H-indeno(1,2-c)pyridazin-3-one; 8-Amino-2,4,4a,5-tetrahydro-3H-indeno[1,2-c]pyridazin-3-one; 3H-Indeno(1,2-c)pyridazin-3-one, 2,4,4a,5-tetrahydro-8-amino-; CHEMBL1993278; DTXSID20921546; NSC-627012; NCI60_008571; 8-Amino-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627012	.	.	.	.	201.22	C11H11N3O	67.5	326	0.3	15	2	3	0	"InChI=1S/C11H11N3O/c12-8-2-1-6-3-7-4-10(15)13-14-11(7)9(6)5-8/h1-2,5,7H,3-4,12H2,(H,13,15)"	C1C2CC(=O)NN=C2C3=C1C=CC(=C3)N	SHLKSZCXCGJHBR-UHFFFAOYSA-N
DG53259	"9-Amino-2,4,4a,5-tetrahydro-3H-indeno[1,2-c]pyridazin-3-one"	362754	"NSC627013; 9-Amino-2,4,4a,5-tetrahydro-3H-indeno[1,2-c]pyridazin-3-one; CHEMBL1965091; 9-amino-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one; NSC-627013; NCI60_008572"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627013	.	.	.	.	201.22	C11H11N3O	67.5	326	0.3	15	2	3	0	"InChI=1S/C11H11N3O/c12-8-3-1-2-6-4-7-5-9(15)13-14-11(7)10(6)8/h1-3,7H,4-5,12H2,(H,13,15)"	C1C2CC(=O)NN=C2C3=C1C=CC=C3N	JKIVSJDEQNKWOO-UHFFFAOYSA-N
DG53260	NSC627019	362759	"N-[2-[bis[2-[(1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbonyl)amino]ethyl]amino]ethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide; NSC627019; CHEMBL1986667; NSC-627019; N-[2-[bis[2-[(1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbonyl)amino]ethyl]amino]ethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide; NCI60_008576; N-(2-(Bis(2-(((1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]non-7-yl)carbonyl)amino)ethyl)amino)ethyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627019	.	.	.	.	810	C42H63N7O9	229	1590	0.3	58	6	10	12	"InChI=1S/C42H63N7O9/c1-34(16-37(4)22-38(5,17-34)29(54)46-28(37)53)25(50)43-10-13-49(14-11-44-26(51)35(2)18-39(6)23-40(7,19-35)31(56)47-30(39)55)15-12-45-27(52)36(3)20-41(8)24-42(9,21-36)33(58)48-32(41)57/h10-24H2,1-9H3,(H,43,50)(H,44,51)(H,45,52)(H,46,53,54)(H,47,55,56)(H,48,57,58)"	CC12CC(CC(C1)(C)C(=O)NCCN(CCNC(=O)C3(CC4(CC(C3)(C(=O)NC4=O)C)C)C)CCNC(=O)C5(CC6(CC(C5)(C(=O)NC6=O)C)C)C)(C(=O)NC2=O)C	SZSFVGUMWJLNIQ-UHFFFAOYSA-N
DG53261	"(3aS,9aS,9bR)-6-benzyl-9a-hydroxy-3-(2,4,6-trimethylphenyl)-3a,7,8,9b-tetrahydro-[1,2]oxazolo[4,5-h][1,4]benzoxazin-4-one"	362763	NSC627025; CHEMBL1985445; ZINC5883028; NSC-627025; NCI60_008580	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627025	.	.	.	.	418.5	C25H26N2O4	71.4	762	3.3	31	1	6	3	"InChI=1S/C25H26N2O4/c1-15-11-16(2)21(17(3)12-15)23-22-19(28)13-20-25(29,24(22)31-26-23)30-10-9-27(20)14-18-7-5-4-6-8-18/h4-8,11-13,22,24,29H,9-10,14H2,1-3H3/t22-,24+,25-/m0/s1"	CC1=CC(=C(C(=C1)C)C2=NO[C@@H]3[C@H]2C(=O)C=C4[C@@]3(OCCN4CC5=CC=CC=C5)O)C	TWBNIFWIJOWEBK-CAOCKLPOSA-N
DG53262	"Dispiro[cyclopropane-1,2'(3'H)-naphthalene-3',2''-imidazolidine], 1'',3''-dimethyl-"	362769	"NSC627050; dimethyldispiro[[ ]]; CHEMBL1995034; NSC-627050; NCI60_008585; Dispiro[cyclopropane-1,2''-imidazolidine], 1'',3''-dimethyl-; Dispiro[cyclopropane-1,2'(3'H)-naphthalene-3',2''-imidazolidine], 1'',3''-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627050	.	.	.	.	240.34	C16H20N2	6.5	507	2.2	18	0	2	0	"InChI=1S/C16H20N2/c1-17-9-10-18(2)16(17)12-14-6-4-3-5-13(14)11-15(16)7-8-15/h3-6,11-12H,7-10H2,1-2H3"	CN1CCN(C12C=C3C=CC=CC3=CC24CC4)C	GEBLDEVRXJPBQL-UHFFFAOYSA-N
DG53263	"2,5-Bis{[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]thio}-1,3,4-thiadiazole"	362772	"NSC627053; 2,5-Bis{[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]thio}-1,3,4-thiadiazole; CHEMBL2000145; ZINC1618855; NSC-627053; NCI60_008588; 2-phenyl-5-[[5-[2-phenyl-4-(trifluoromethyl)oxazol-5-yl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)oxazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627053	.	.	.	.	572.5	C22H10F6N4O2S3	157	697	7.8	37	0	15	6	"InChI=1S/C22H10F6N4O2S3/c23-21(24,25)13-17(33-15(29-13)11-7-3-1-4-8-11)35-19-31-32-20(37-19)36-18-14(22(26,27)28)30-16(34-18)12-9-5-2-6-10-12/h1-10H"	C1=CC=C(C=C1)C2=NC(=C(O2)SC3=NN=C(S3)SC4=C(N=C(O4)C5=CC=CC=C5)C(F)(F)F)C(F)(F)F	PATOGSAKGSWIFZ-UHFFFAOYSA-N
DG53264	"1-Oxido-2,2-diphenyl-3-phenyliminoindol-1-ium-5-one"	362810	NSC627124; CHEMBL1990936; ZINC17192952; ZINC104280612; NSC-627124; NCI60_008608	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627124	.	.	.	.	390.4	C26H18N2O2	58.2	783	4.4	30	0	3	3	"InChI=1S/C26H18N2O2/c29-22-16-17-24-23(18-22)25(27-21-14-8-3-9-15-21)26(28(24)30,19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-18H"	C1=CC=C(C=C1)C2(C(=NC3=CC=CC=C3)C4=CC(=O)C=CC4=[N+]2[O-])C5=CC=CC=C5	AYZXZPXOQBNTBL-UHFFFAOYSA-N
DG53265	"4,6-Dichloro-5-(dimethylaminomethylene)cyclohexa-3,6-diene-1,3-dicarbaldehyde"	362814	"NSC627151; CHEMBL1969452; ZINC31829625; NSC-627151; NCI60_008611; 1(6),3-dicarboxyaldehyde, 4,6-dichloro-5-[(dimethylamino)methylene]-; 4,6-Dichloro-5-((dimethylamino)methylene)-3,6-cyclohexadiene-1,3-dicarbaldehyde; 4,6-dichloro-5-(dimethylaminomethylene)cyclohexa-3,6-diene-1,3-dicarbaldehyde; 1(6),3-Cyclohexadiene-1,3-dicarboxyaldehyde, 4, {6-dichloro-5-[(dimethylamino)methylene]-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627151	.	.	.	.	260.11	C11H11Cl2NO2	37.4	388	1.1	16	0	3	3	"InChI=1S/C11H11Cl2NO2/c1-14(2)4-9-10(12)7(5-15)3-8(6-16)11(9)13/h4-6H,3H2,1-2H3"	CN(C)C=C1C(=C(CC(=C1Cl)C=O)C=O)Cl	BRIMGKZJPCSTCP-UHFFFAOYSA-N
DG53266	"6-[N-(2-hydroxyethyl)anilino]-3-methyl-2H-indazole-4,7-dione"	362828	"NSC627198; CHEMBL1986766; 6-[N-(2-hydroxyethyl)anilino]-3-methyl-2H-indazole-4,7-dione; ZINC8652868; NSC-627198; NCI60_008626; 6-((2-Hydroxyethyl)anilino)-3-methyl-2H-indazole-4,7-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627198	.	.	.	.	297.31	C16H15N3O3	86.3	485	1.7	22	2	5	4	"InChI=1S/C16H15N3O3/c1-10-14-13(21)9-12(16(22)15(14)18-17-10)19(7-8-20)11-5-3-2-4-6-11/h2-6,9,20H,7-8H2,1H3,(H,17,18)"	CC1=C2C(=O)C=C(C(=O)C2=NN1)N(CCO)C3=CC=CC=C3	KEHHDNNSUKAQBU-UHFFFAOYSA-N
DG53267	(((4-((Iodoacetyl)amino)phenyl)sulfonyl)amino)acetic acid	362835	NSC627206; CHEMBL1985452; (((4-((Iodoacetyl)amino)phenyl)sulfonyl)amino)acetic acid; 2-[[4-[(2-iodoacetyl)amino]phenyl]sulfonylamino]acetic acid; NSC-627206; NCI60_008633	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627206	.	.	.	.	398.18	C10H11IN2O5S	121	426	0.3	19	3	6	6	"InChI=1S/C10H11IN2O5S/c11-5-9(14)13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)16/h1-4,12H,5-6H2,(H,13,14)(H,15,16)"	C1=CC(=CC=C1NC(=O)CI)S(=O)(=O)NCC(=O)O	SQVMGKNIRPKOGA-UHFFFAOYSA-N
DG53268	1-Methyl-4-[2-(trifluoromethylsulfonyl)ethynyl]benzene	362876	NSC627321; CHEMBL1998216; ZINC1618954; NSC-627321; NCI60_008669	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627321	.	.	.	.	248.22	C10H7F3O2S	42.5	397	3.3	16	0	5	1	"InChI=1S/C10H7F3O2S/c1-8-2-4-9(5-3-8)6-7-16(14,15)10(11,12)13/h2-5H,1H3"	CC1=CC=C(C=C1)C#CS(=O)(=O)C(F)(F)F	KQUPPVAQYMLSBV-UHFFFAOYSA-N
DG53269	2-Bromo-myristoyl-glycinamide	362877	2-Bromo-myristoyl-glycinamide; 134764-29-7; N-(2-Amino-2-oxoethyl)-2-bromotetradecanamide; NSC627349; N-(2-Bromotetradecanoyl)glycinamide; CHEMBL2003414; DTXSID30327030; NSC-627349; NCI60_008670; N-(2-amino-2-oxo-ethyl)-2-bromo-tetradecanamide; N-(2-Amino-2-oxoethyl)-2-bromotetradecanamide #	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627349	.	.	.	.	363.33	C16H31BrN2O2	72.2	286	5.4	21	2	2	14	"InChI=1S/C16H31BrN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(17)16(21)19-13-15(18)20/h14H,2-13H2,1H3,(H2,18,20)(H,19,21)"	CCCCCCCCCCCCC(C(=O)NCC(=O)N)Br	YLYYKUPMRFKGEZ-UHFFFAOYSA-N
DG53270	"4-Nitro-6-(trifluoromethyl)-2,1,3-benzoselenadiazole"	362897	"NSC627371; 4-nitro-6-trifluoromethyl-(2,1,3)benzoselenadiazole; 117824-12-1; 4-nitro-6-(trifluoromethyl)-2,1,3-benzoselenadiazole; 2,1,3-Benzoselanadiazole, nitro-6-(trifluoromethyl)-; SCHEMBL8902929; CHEMBL2003012; CCG-35249; NSC-627371; NCI60_008692; 2,3-Benzoselanadiazole, nitro-6-(trifluoromethyl)-; 4-(Hydroxy(oxido)amino)-6-(trifluoromethyl)-2,1,3-benzoselenadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627371	.	.	.	.	296.08	C7H2F3N3O2Se	71.6	296	.	16	0	7	0	"InChI=1S/C7H2F3N3O2Se/c8-7(9,10)3-1-4-6(12-16-11-4)5(2-3)13(14)15/h1-2H"	C1=C(C=C(C2=N[Se]N=C21)[N+](=O)[O-])C(F)(F)F	KXIIVIWWQMLJMU-UHFFFAOYSA-N
DG53271	"2-(1H-indol-3-yl)-4,4-dimethyl-3H-carbazol-4a-ol"	362912	"NSC627387; CHEMBL1987247; NSC-627387; NCI60_008707; 2-(1H-indol-3-yl)-4,4-dimethyl-3H-carbazol-4a-ol; 4,4a-Dihydro-2-(1H-indol-3-yl)-4,4-dimethyl-3H-carbazol-4a-ol; 4AH-carbazol-4a-ol, 3,4-dihydro-2-(1H-indol-3-yl)-4,4-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627387	.	.	.	.	328.4	C22H20N2O	48.4	622	3.7	25	2	2	1	"InChI=1S/C22H20N2O/c1-21(2)12-14(16-13-23-18-9-5-3-7-15(16)18)11-20-22(21,25)17-8-4-6-10-19(17)24-20/h3-11,13,23,25H,12H2,1-2H3"	CC1(CC(=CC2=NC3=CC=CC=C3C21O)C4=CNC5=CC=CC=C54)C	ZJSCSYPLASWQES-UHFFFAOYSA-N
DG53272	"5-Isopropyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	362917	"NSC627392; 5-Isopropyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; CHEMBL1968915; NSC-627392; NCI60_008712; 5-isopropyl-2-phenyl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627392	.	.	.	.	358.4	C23H22N2O2	53.2	612	4.1	27	1	2	2	"InChI=1S/C23H22N2O2/c1-13(2)16-12-17-20(21-19(16)15-10-6-7-11-18(15)24-21)23(27)25(22(17)26)14-8-4-3-5-9-14/h3-11,13,16-17,20,24H,12H2,1-2H3"	CC(C)C1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=CC=C5	FYPLYVPUIGBRQE-UHFFFAOYSA-N
DG53273	"5-Methyl-4-nonyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	362918	"NSC627393; 5-Methyl-4-nonyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; CHEMBL1987598; NSC-627393; 5-methyl-4-nonyl-2-phenyl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione; NCI60_008713"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627393	.	.	.	.	456.6	C30H36N2O2	53.2	717	8.1	34	1	2	9	"InChI=1S/C30H36N2O2/c1-3-4-5-6-7-8-12-17-22-20(2)25-23-18-13-14-19-24(23)31-28(25)27-26(22)29(33)32(30(27)34)21-15-10-9-11-16-21/h9-11,13-16,18-20,22,26-27,31H,3-8,12,17H2,1-2H3"	CCCCCCCCCC1C(C2=C(C3C1C(=O)N(C3=O)C4=CC=CC=C4)NC5=CC=CC=C52)C	QHYWGGCZUYFENA-UHFFFAOYSA-N
DG53274	"5H-dinaphtho[2,3-a:2',3'-c]carbazole-6,11,12,17-tetrone"	362928	"Diphtaloylcarbazol; NSC627404; 5H-dinaphtho[2,3-a:2',3'-c]carbazole-6,11,12,17-tetrone; SCHEMBL4703362; CHEMBL2002255; NSC-627404; NCI60_008724"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627404	.	.	.	.	427.4	C28H13NO4	84.1	912	5.3	33	1	4	0	"InChI=1S/C28H13NO4/c30-25-13-7-1-2-8-14(13)26(31)21-20(25)19-17-11-5-6-12-18(17)29-24(19)23-22(21)27(32)15-9-3-4-10-16(15)28(23)33/h1-12,29H"	C1=CC=C2C(=C1)C(=O)C3=C4C5=CC=CC=C5NC4=C6C(=C3C2=O)C(=O)C7=CC=CC=C7C6=O	NMBXERAVHQBISR-UHFFFAOYSA-N
DG53275	Methyl 5-chloro-2-[(4-nitrobenzoyl)amino]benzoate	362934	NSC627410; Methyl 5-chloro-2-[(4-nitrobenzoyl)amino]benzoate; Methyl 5-chloro-N-[p-nitrobenzoyl]anthranilate; CHEMBL2007033; NSC-627410; NCI60_008730; Methyl 5-chloro-2-[(4-nitrobenzoyl)amino]benzoate #; Methyl 5-chloro-2-((4-(hydroxy(oxido)amino)benzoyl)amino)benzoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627410	.	.	.	.	334.71	C15H11ClN2O5	101	459	3.8	23	1	5	4	"InChI=1S/C15H11ClN2O5/c1-23-15(20)12-8-10(16)4-7-13(12)17-14(19)9-2-5-11(6-3-9)18(21)22/h2-8H,1H3,(H,17,19)"	COC(=O)C1=C(C=CC(=C1)Cl)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]	DWPHGNLALUNFLR-UHFFFAOYSA-N
DG53276	"4,5-Bis(methylthio)-1,3-dithiole-2-thione"	362959	"4,5-Bis(methylthio)-1,3-dithiole-2-thione; 49638-64-4; 4,5-Bis(methylthio)-1,3-dithiol-2-thione; 4,5-Bis(methylsulfanyl)-1,3-dithiole-2-thione; bis(methylsulfanyl)-2H-1,3-dithiole-2-thione; NSC627450; Maybridge4_003412; CHEMBL1979205; SCHEMBL16174661; ZINC88171; DTXSID30327035; HMS1530L02; CCG-49118; MFCD00137888; AKOS001016929; MCULE-4817863701; NSC-627450; NCGC00175871-01; AS-64997; NCI60_008740; 4,5-Di(methylthio)-1,3-dithiol-2-thione; CS-0303849; FT-0617143; 1,3-Dithiole-2-thione, 4,5-di(methylthio)-; T70963; 1,3-Dithiole-2-thione, 4,5-bis(methylthio)-; 4,5-Bis(methylsulfanyl)-1,3-dithiole-2-thione #; SR-01000638597-1; BRD-K62730985-001-01-9; Z56791785; 4,5-BIS-METHYLSULFANYL-(1,3)DITHIOLE-2-THIONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627450	.	.	.	.	226.4	C5H6S5	133	165	3.4	10	0	5	2	InChI=1S/C5H6S5/c1-7-3-4(8-2)10-5(6)9-3/h1-2H3	CSC1=C(SC(=S)S1)SC	HOFVXSUZSDYZSA-UHFFFAOYSA-N
DG53277	"6-Phenyl-2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiin-5-one"	362961	NSC627452; CHEMBL1989661; NSC-627452; NCI60_008742	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627452	.	.	.	.	314.5	C11H6OS5	150	397	4.7	17	0	6	1	"InChI=1S/C11H6OS5/c12-8-7(6-4-2-1-3-5-6)14-9-10(15-8)17-11(13)16-9/h1-5,7H"	C1=CC=C(C=C1)C2C(=O)SC3=C(S2)SC(=S)S3	UFYSADLNODHZMC-UHFFFAOYSA-N
DG53278	2-[[4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid	362963	NSC627454; CHEMBL1991966; NSC-627454; 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid; NCI60_008744	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627454	.	.	.	.	538.5	C27H21F3N4O5	142	861	4.4	39	4	11	9	"InChI=1S/C27H21F3N4O5/c28-27(29,30)17-8-11-19-21(14-17)33-24(23(32-19)15-4-2-1-3-5-15)31-18-9-6-16(7-10-18)25(37)34-20(26(38)39)12-13-22(35)36/h1-11,14,20H,12-13H2,(H,31,33)(H,34,37)(H,35,36)(H,38,39)"	C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2NC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O	QKEWUYZUXTWZJS-UHFFFAOYSA-N
DG53279	2-[[4-[[6-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid	362964	NSC627455; CHEMBL2004301; NSC-627455; 2-[[4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid; NCI60_008745	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627455	.	.	.	.	462.4	C21H17F3N4O5	142	715	2.7	33	4	11	8	"InChI=1S/C21H17F3N4O5/c22-21(23,24)12-3-6-14-16(9-12)25-10-17(27-14)26-13-4-1-11(2-5-13)19(31)28-15(20(32)33)7-8-18(29)30/h1-6,9-10,15H,7-8H2,(H,26,27)(H,28,31)(H,29,30)(H,32,33)"	C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NC2=CN=C3C=C(C=CC3=N2)C(F)(F)F	MKUBWWUWCKDOCT-UHFFFAOYSA-N
DG53280	"[3-(hydroxymethyl)-7-methoxy-1-methyl-4,5-dihydrobenzo[g]indol-2-yl]methyl N-propan-2-ylcarbamate"	362968	NSC627459; CHEMBL2005146; ZINC1619021; NSC-627459; NCI60_008749	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627459	.	.	.	.	358.4	C20H26N2O4	72.7	486	2.1	26	2	4	6	"InChI=1S/C20H26N2O4/c1-12(2)21-20(24)26-11-18-17(10-23)16-7-5-13-9-14(25-4)6-8-15(13)19(16)22(18)3/h6,8-9,12,23H,5,7,10-11H2,1-4H3,(H,21,24)"	CC(C)NC(=O)OCC1=C(C2=C(N1C)C3=C(CC2)C=C(C=C3)OC)CO	DYQAIVYRROWJFF-UHFFFAOYSA-N
DG53281	"9-Methoxy-2-methylellipticinium acetate, hydrate"	362973	"NSC-627505; 9-Methoxy-2,5,11-trimethyl-6H-pyrido(4,3-b)carbazolium iodide; NSC627505; CHEMBL305589; 9-Methoxy-2-methylellipticinium acetate, hydrate; 6H-Pyrido[4, 9-methoxy-2,5,11-trimethyl-, acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627505	.	.	.	.	350.4	C21H22N2O3	69	440	.	26	1	3	1	"InChI=1S/C19H18N2O.C2H4O2/c1-11-16-10-21(3)8-7-14(16)12(2)19-18(11)15-9-13(22-4)5-6-17(15)20-19;1-2(3)4/h5-10H,1-4H3;1H3,(H,3,4)"	CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C)C.CC(=O)[O-]	YNZAJSGICHACDH-UHFFFAOYSA-N
DG53282	(5-Phenyl-3-tellurophenyl)methanol	362976	NSC627508; 4-Hydroxymethyl-2-phenyl-tellurophene; (5-Phenyl-3-tellurophenyl)methanol; (5-phenyltellurophen-3-yl)methanol; CHEMBL2000366; NSC-627508; NCI60_008756	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627508	.	.	.	.	285.8	C11H10OTe	20.2	154	.	13	1	1	2	"InChI=1S/C11H10OTe/c12-7-9-6-11(13-8-9)10-4-2-1-3-5-10/h1-6,8,12H,7H2"	C1=CC=C(C=C1)C2=CC(=C[Te]2)CO	QVJUSFRJJPRLDK-UHFFFAOYSA-N
DG53283	"2-Acetyl-4,5-dihydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-7-one"	362980	"NSC627511; 2-Acetyl-4,5-dihydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-7-one; CHEMBL1972002; NSC-627511; NCI60_008759"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627511	.	.	.	.	307.3	C18H13NO4	55.8	549	2.2	23	0	4	1	"InChI=1S/C18H13NO4/c1-9(20)11-4-10-2-3-19-17(10)13(5-11)12-6-15-16(23-8-22-15)7-14(12)18(19)21/h4-7H,2-3,8H2,1H3"	CC(=O)C1=CC2=C3C(=C1)C4=CC5=C(C=C4C(=O)N3CC2)OCO5	FESRXNOBFDOPTM-UHFFFAOYSA-N
DG53284	"2-(1,3-Benzodioxol-5-yl)-4-(2-methyl-1,3-benzodioxol-5-yl)-4-oxobutanoic acid"	362981	"NSC627512; 2-(1,3-Benzodioxol-5-yl)-4-(2-methyl-1,3-benzodioxol-5-yl)-4-oxobutanoic acid; SCHEMBL16211996; NCI60_008760; 2-(1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-benzodioxol-5-yl)-4-oxo-butanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627512	.	.	.	.	356.3	C19H16O7	91.3	550	2.8	26	1	7	5	"InChI=1S/C19H16O7/c1-10-25-16-5-3-12(7-18(16)26-10)14(20)8-13(19(21)22)11-2-4-15-17(6-11)24-9-23-15/h2-7,10,13H,8-9H2,1H3,(H,21,22)"	CC1OC2=C(O1)C=C(C=C2)C(=O)CC(C3=CC4=C(C=C3)OCO4)C(=O)O	LKTLJSIATFZNGD-UHFFFAOYSA-N
DG53285	"8-(Bis(methylthio)methylene)-5,6-dimethoxycyclopenta[ij]isoquinolin-7(8H)-one"	363007	"NSC627546; 8-(Bis(methylthio)methylene)-5,6-dimethoxycyclopenta[ij]isoquinolin-7(8H)-one; CHEMBL1991060; NSC-627546; NCI60_008784; bis(methylsulfanyl)methylene-dimethoxy-[ ]one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627546	.	.	.	.	333.4	C16H15NO3S2	99	476	3	22	0	6	4	"InChI=1S/C16H15NO3S2/c1-19-9-7-8-5-6-17-13-10(8)11(15(9)20-2)14(18)12(13)16(21-3)22-4/h5-7H,1-4H3"	COC1=C(C2=C3C(=C1)C=CN=C3C(=C(SC)SC)C2=O)OC	WBYOFJLCELJXPP-UHFFFAOYSA-N
DG53286	"1,4-Epoxyanthracene-2,2,3,3-tetracarbonitrile, 1,4-dihydro-1,4-diphenyl-"	363011	"NSC627550; 1,4-Epoxyanthracene-2,2,3,3-tetracarbonitrile, 1,4-dihydro-1,4-diphenyl-; diphenyl[ ]tetracarbonitrile; CHEMBL1974283; NSC-627550; NCI60_008787; 1, 1,4-diphenyl-2,2,3,3-tetracyano- 1,2,3,4-tetrahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627550	.	.	.	.	448.5	C30H16N4O	104	960	4.2	35	0	5	2	"InChI=1S/C30H16N4O/c31-17-27(18-32)28(19-33,20-34)30(24-13-5-2-6-14-24)26-16-22-10-8-7-9-21(22)15-25(26)29(27,35-30)23-11-3-1-4-12-23/h1-16H"	C1=CC=C(C=C1)C23C4=CC5=CC=CC=C5C=C4C(O2)(C(C3(C#N)C#N)(C#N)C#N)C6=CC=CC=C6	QJJKHZQOOVMKJU-UHFFFAOYSA-N
DG53287	"4,9-Epoxy-1H-benz[f]isoindole-1,3(2H)-dione, 3a,4,9,9a-tetrahydro-2,4,9-triphenyl-"	363013	"NSC627552; triphenyl[ ]dione; 4,9-Epoxy-1H-benz[f]isoindole-1,3(2H)-dione, 3a,4,9,9a-tetrahydro-2,4,9-triphenyl-; CHEMBL2002049; NSC-627552; NCI60_008789; 4,9-Epoxy-1H-benz[f]isoindole-1,3-(2H)-dione, 3a,4,9,9a-tetrahydro-2,4,9-triphenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627552	.	.	.	.	443.5	C30H21NO3	46.6	765	4.5	34	0	3	3	"InChI=1S/C30H21NO3/c32-27-25-26(28(33)31(27)22-16-8-3-9-17-22)30(21-14-6-2-7-15-21)24-19-11-10-18-23(24)29(25,34-30)20-12-4-1-5-13-20/h1-19,25-26H"	C1=CC=C(C=C1)C23C4C(C(=O)N(C4=O)C5=CC=CC=C5)C(O2)(C6=CC=CC=C36)C7=CC=CC=C7	KWMPZTMQZIIVKU-UHFFFAOYSA-N
DG53288	"1,4-Epoxyanthracene-2,3-dicarboxylic acid, 1,4-dihydro-1,4-diphenyl-, dimethyl ester"	363016	"NSC627555; 1,4-Epoxyanthracene-2,3-dicarboxylic acid, 1,4-dihydro-1,4-diphenyl-, dimethyl ester; CHEMBL1993416; NSC-627555; NCI60_008792"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627555	.	.	.	.	462.5	C30H22O5	61.8	811	5.1	35	0	5	6	"InChI=1S/C30H22O5/c1-33-27(31)25-26(28(32)34-2)30(22-15-7-4-8-16-22)24-18-20-12-10-9-11-19(20)17-23(24)29(25,35-30)21-13-5-3-6-14-21/h3-18H,1-2H3"	COC(=O)C1=C(C2(C3=CC4=CC=CC=C4C=C3C1(O2)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OC	IWYXQHXXXMOGCF-UHFFFAOYSA-N
DG53289	"(2,5-Diphenylfuran-3,4-diyl)bis(phenylmethanol)"	363019	"NSC627563; (2,5-Diphenylfuran-3,4-diyl)bis(phenylmethanol); CHEMBL1968566; NSC-627563; NCI60_008793; [4-[hydroxy(phenyl)methyl]-2,5-diphenyl-3-furyl]-phenyl-methanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627563	.	.	.	.	432.5	C30H24O3	53.6	519	5.9	33	2	3	6	"InChI=1S/C30H24O3/c31-27(21-13-5-1-6-14-21)25-26(28(32)22-15-7-2-8-16-22)30(24-19-11-4-12-20-24)33-29(25)23-17-9-3-10-18-23/h1-20,27-28,31-32H"	C1=CC=C(C=C1)C2=C(C(=C(O2)C3=CC=CC=C3)C(C4=CC=CC=C4)O)C(C5=CC=CC=C5)O	JLPBSURDZWABLC-UHFFFAOYSA-N
DG53290	"1H-Pyrrole-3,4-dimethanol, a3,a4,2,5-tetraphenyl-"	363020	"NSC627564; 1H-Pyrrole-3,4-dimethanol, a3,a4,2,5-tetraphenyl-; CHEMBL1992444; NSC-627564; NCI60_008794; [4-[hydroxy(phenyl)methyl]-2,5-diphenyl-1H-pyrrol-3-yl]-phenyl-methanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627564	.	.	.	.	431.5	C30H25NO2	56.2	522	5.7	33	3	2	6	"InChI=1S/C30H25NO2/c32-29(23-17-9-3-10-18-23)25-26(30(33)24-19-11-4-12-20-24)28(22-15-7-2-8-16-22)31-27(25)21-13-5-1-6-14-21/h1-20,29-33H"	C1=CC=C(C=C1)C2=C(C(=C(N2)C3=CC=CC=C3)C(C4=CC=CC=C4)O)C(C5=CC=CC=C5)O	VZLFGWLQHXCHJA-UHFFFAOYSA-N
DG53291	"Dimethyl 5,6lambda4,7-trithiatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3-triene-3,4-dicarboxylate"	363025	"NSC627569; CHEMBL1987608; NSC-627569; NCI60_008795; Dimethyl 4,5,6,7-tetrahydro-9.lambda.~4~-[1,2]dithiolo[1,5-b][1,2]benzodithiole-2,3-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627569	.	.	.	.	330.4	C13H14O4S3	122	601	2.6	20	0	7	4	"InChI=1S/C13H14O4S3/c1-16-12(14)9-10(13(15)17-2)19-20-11(9)7-5-3-4-6-8(7)18-20/h3-6H2,1-2H3"	COC(=O)C1=C(SS2=C1C3=C(S2)CCCC3)C(=O)OC	NPBAUDWWHFWMNR-UHFFFAOYSA-N
DG53292	"5H-Naphtho[1,8-cd]isoxazol-5-one"	363037	"NSC627581; 5H-Naphtho[1,8-cd]isoxazol-5-one; CHEMBL1970984; NSC-627581; NCI60_008807"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627581	.	.	.	.	171.15	C10H5NO2	43.1	274	1.8	13	0	3	0	InChI=1S/C10H5NO2/c12-8-5-4-7-10-6(8)2-1-3-9(10)13-11-7/h1-5H	C1=CC2=C3C(=NOC3=C1)C=CC2=O	WCUMLMAZEJZTNF-UHFFFAOYSA-N
DG53293	"6,8,10,12-Tetrachloro-3lambda4-thia-2,4-diazatricyclo[7.3.1.05,13]trideca-1(12),2,3,5,7,9(13),10-heptaene"	363039	NSC627583; CHEMBL1976268; NSC-627583; NCI60_008809	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627583	.	.	.	.	324	C10H2Cl4N2S	25.7	351	6.7	17	0	3	0	InChI=1S/C10H2Cl4N2S/c11-3-1-5(13)9-8-7(3)4(12)2-6(14)10(8)16-17-15-9/h1-2H	C1=C(C2=C3C(=C1Cl)N=S=NC3=C(C=C2Cl)Cl)Cl	GBDFHYKADPKBOB-UHFFFAOYSA-N
DG53294	"2,3,5-Triphenyl-1,3-selenazol-3-ium-4-one"	363056	"NSC627605; CHEMBL1975696; NSC-627605; NCI60_008823; 2,3,5-triphenyl-1,3-selenazol-3-ium-4-one; 2,3,5-Triphenyl-1,3.lambda.~5~-selenazol-4(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627605	.	.	.	.	376.3	C21H15NOSe	26.9	385	.	24	0	1	3	InChI=1S/C21H15NOSe/c23-20-19(16-10-4-1-5-11-16)24-21(17-12-6-2-7-13-17)22(20)18-14-8-3-9-15-18/h1-15H	C1=CC=C(C=C1)C2=C([N+](=C([Se]2)C3=CC=CC=C3)C4=CC=CC=C4)[O-]	JICIQSRTUDKTOF-UHFFFAOYSA-N
DG53295	"5-amino-6-[(3R)-3-amino-4-hydroxybutanoyl]-2,2-dimethyl-3H-chromen-4-one"	363059	"5-amino-6-[(3R)-3-amino-4-hydroxybutanoyl]-2,2-dimethyl-3H-chromen-4-one; 802915-53-3; NSC627608; (+)-Fusarochromanone; SCHEMBL4475164; NSC783223; NSC-627608; NSC-783223; 5-amino-6-[(3r)-3-amino-4-hydroxybutanoyl]-2,2-dimethyl-2,3-dihydro-4h-chromen-4-one; HY-136901; CS-0134342; J3.636.595A; UNII-FM54X8S89O component COSICWYFCAPPJB-MRVPVSSYSA-N"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783223	.	.	.	.	292.33	C15H20N2O4	116	424	-0.1	21	3	6	4	"InChI=1S/C15H20N2O4/c1-15(2)6-11(20)13-12(21-15)4-3-9(14(13)17)10(19)5-8(16)7-18/h3-4,8,18H,5-7,16-17H2,1-2H3/t8-/m1/s1"	CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)C[C@H](CO)N)C	COSICWYFCAPPJB-MRVPVSSYSA-N
DG53296	"Ethanone, 1-(7,8,9,10-tetrachloro-6b,7,10,10a-tetrahydro-11,11-dimethoxy-7,10-methanofluoranthen-3-yl)-"	363066	"NSC627618; CHEMBL1965320; NSC-627618; 1-[tetrachloro(dimethoxy)[ ]yl]ethanone; Ethanone, 1-(7,8,9,10-tetrachloro-6b,7,10,10a-tetrahydro-11,11-dimethoxy-7,10-methanofluoranthen-3-yl)-; NCI60_008825"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627618	.	.	.	.	458.2	C21H16Cl4O3	35.5	765	4	28	0	3	3	"InChI=1S/C21H16Cl4O3/c1-9(26)10-7-8-13-14-11(10)5-4-6-12(14)15-16(13)20(25)18(23)17(22)19(15,24)21(20,27-2)28-3/h4-8,15-16H,1-3H3"	CC(=O)C1=C2C=CC=C3C2=C(C=C1)C4C3C5(C(=C(C4(C5(OC)OC)Cl)Cl)Cl)Cl	IXHXXNHKPPJQPF-UHFFFAOYSA-N
DG53297	"2-Benzoyl-1,1-dichloro-3-[(2-nitrophenyl)methyl]-1a,7b-dihydrocyclopropa[c]isoquinoline-3-carbonitrile"	363072	"NSC627624; CHEMBL1968440; NSC-627624; 2-benzoyl-1,1-dichloro-3-[(2-nitrophenyl)methyl]-1a,7b-dihydrocyclopropa[c]isoquinoline-3-carbonitrile; NCI60_008827; 2-Benzoyl-1,1-dichloro-3-(2-(hydroxy(oxido)amino)benzyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627624	.	.	.	.	478.3	C25H17Cl2N3O3	89.9	846	5.3	33	0	4	3	"InChI=1S/C25H17Cl2N3O3/c26-25(27)21-18-11-5-6-12-19(18)24(15-28,14-17-10-4-7-13-20(17)30(32)33)29(22(21)25)23(31)16-8-2-1-3-9-16/h1-13,21-22H,14H2"	C1=CC=C(C=C1)C(=O)N2C3C(C3(Cl)Cl)C4=CC=CC=C4C2(CC5=CC=CC=C5[N+](=O)[O-])C#N	QAXWGDLYEBWLFZ-UHFFFAOYSA-N
DG53298	"Diethyl 7-oxo-1,3,5-cycloheptatriene-1,3-dicarboxylate"	363077	"NSC627638; Diethyl 7-oxo-1,3,5-cycloheptatriene-1,3-dicarboxylate; CHEMBL1987825; diethyl 7-oxocyclohepta-1,3,5-triene-1,3-dicarboxylate; NSC-627638; NCI60_008829"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627638	.	.	.	.	250.25	C13H14O5	69.7	454	2	18	0	5	6	"InChI=1S/C13H14O5/c1-3-17-12(15)9-6-5-7-11(14)10(8-9)13(16)18-4-2/h5-8H,3-4H2,1-2H3"	CCOC(=O)C1=CC=CC(=O)C(=C1)C(=O)OCC	GLHQXZYZCVKOBV-UHFFFAOYSA-N
DG53299	"(1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)(phenyl)methyl acetate"	363085	"NSC627650; (1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)(phenyl)methyl acetate; CHEMBL2000749; NSC-627650; NCI60_008834; [[dimethoxy(methyl)[ ]yl]-phenyl-methyl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627650	.	.	.	.	443.5	C28H29NO4	48	679	4.6	33	0	5	6	"InChI=1S/C28H29NO4/c1-17(30)33-27(18-10-6-5-7-11-18)25-21-13-9-8-12-20(21)24-23-19(14-15-29(2)26(23)25)16-22(31-3)28(24)32-4/h5-13,16,25-27H,14-15H2,1-4H3"	CC(=O)OC(C1C2C3=C(C4=CC=CC=C14)C(=C(C=C3CCN2C)OC)OC)C5=CC=CC=C5	IGRKHRUNPPEQNP-UHFFFAOYSA-N
DG53300	"11,16-Diphenyl-11,16-diazapentacyclo[6.5.5.02,7.09,13.014,18]octadeca-2,4,6-triene-10,12,15,17-tetrone"	363087	"NSC627652; CHEMBL1990037; NSC-627652; NCI60_008836; 11,16-Diphenyl-11,16-diazapentacyclo[6.5.5.0~2,7~.0~9,13~.0~14,18~]octadeca-2,4,6-triene-10,12,15,17-tetrone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627652	.	.	.	.	448.5	C28H20N2O4	74.8	801	2.7	34	0	4	2	"InChI=1S/C28H20N2O4/c31-25-21-19-17-13-7-8-14-18(17)20(22(21)26(32)29(25)15-9-3-1-4-10-15)24-23(19)27(33)30(28(24)34)16-11-5-2-6-12-16/h1-14,19-24H"	C1=CC=C(C=C1)N2C(=O)C3C4C5C(C(C3C2=O)C6=CC=CC=C46)C(=O)N(C5=O)C7=CC=CC=C7	VOAQZUPZPIBDPI-UHFFFAOYSA-N
DG53301	"1,8-Dibromo-11,16-diphenyl-11,16-diazapentacyclo[6.5.5.02,7.09,13.014,18]octadeca-2,4,6-triene-10,12,15,17-tetrone"	363088	"NSC627654; dibromo(diphenyl)[ ]tetrone; CHEMBL1972446; NSC-627654; NCI60_008837; 1,8-Dibromo-11,16-diphenyl-11,16-diazapentacyclo[6.5.5.0~2,7~.0~9,13~.0~14,18~]octadeca-2,4,6-triene-10,12,15,17-tetrone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627654	.	.	.	.	606.3	C28H18Br2N2O4	74.8	895	3.4	36	0	4	2	"InChI=1S/C28H18Br2N2O4/c29-27-17-13-7-8-14-18(17)28(30,20-19(27)23(33)31(24(20)34)15-9-3-1-4-10-15)22-21(27)25(35)32(26(22)36)16-11-5-2-6-12-16/h1-14,19-22H"	C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C5C(C3(C6=CC=CC=C64)Br)C(=O)N(C5=O)C7=CC=CC=C7)Br	JWPNWDRMHVOXKA-UHFFFAOYSA-N
DG53302	"2-Benzoyl-3-(2-bromo-4,5-dimethoxybenzyl)-1,1-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline-3-carbonitrile"	363094	"NSC627664; 2-Benzoyl-3-(2-bromo-4,5-dimethoxybenzyl)-1,1-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline-3-carbonitrile; CHEMBL1997878; NSC-627664; NCI60_008839; 2-benzoyl-3-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-1,1-dichloro-1a,7b-dihydrocyclopropa[c]isoquinoline-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627664	.	.	.	.	572.3	C27H21BrCl2N2O3	62.6	859	6.1	35	0	4	5	"InChI=1S/C27H21BrCl2N2O3/c1-34-21-12-17(20(28)13-22(21)35-2)14-26(15-31)19-11-7-6-10-18(19)23-24(27(23,29)30)32(26)25(33)16-8-4-3-5-9-16/h3-13,23-24H,14H2,1-2H3"	COC1=C(C=C(C(=C1)CC2(C3=CC=CC=C3C4C(C4(Cl)Cl)N2C(=O)C5=CC=CC=C5)C#N)Br)OC	MBUDAQKKQGLYJK-UHFFFAOYSA-N
DG53303	"6-Benzoyl-1,2-dimethoxy-5,6-dihydro-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinoline-6a(7H)-carbonitrile"	363096	"NSC627666; MLS002701633; 6-Benzoyl-1,2-dimethoxy-5,6-dihydro-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinoline-6a(7H)-carbonitrile; CHEMBL1888564; NSC-627666; NCI60_008841; SMR001565234; 1H-Benzo[de]-1,6]quinoline-6a- carbonitrile, 6-benzoyl-1,2-dimethoxy-; {1H-Benzo[de]-1,3-benzodioxolo[5,6]quinoline-6a-} carbonitrile, 6-benzoyl-1,2-dimethoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627666	.	.	.	.	454.5	C27H22N2O5	81	836	4.1	34	0	6	3	"InChI=1S/C27H22N2O5/c1-31-22-10-17-8-9-29(26(30)16-6-4-3-5-7-16)27(14-28)13-18-11-20-21(34-15-33-20)12-19(18)23(24(17)27)25(22)32-2/h3-7,10-12H,8-9,13,15H2,1-2H3"	COC1=C(C2=C3C(=C1)CCN(C3(CC4=CC5=C(C=C42)OCO5)C#N)C(=O)C6=CC=CC=C6)OC	PZQWWOMZHVYCES-UHFFFAOYSA-N
DG53304	"4-Benzyl-2-phenyl-pyrazolo[4,3-c]isoquinolin-4-ium-3-ol"	363107	"NSC627677; CHEMBL122688; NSC-627677; 4-benzyl-2-phenyl-pyrazolo[4,3-c]isoquinolin-4-ium-3-ol; 4-Benzyl-2-phenyl-2H-4.lambda.~5~-pyrazolo[4,3-c]isoquinolin-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627677	.	.	.	.	351.4	C23H17N3O	44.8	488	5.8	27	0	2	3	"InChI=1S/C23H17N3O/c27-23-22-21(24-26(23)19-12-5-2-6-13-19)20-14-8-7-11-18(20)16-25(22)15-17-9-3-1-4-10-17/h1-14,16H,15H2"	C1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C4=NN(C(=C42)[O-])C5=CC=CC=C5	BQGBYYQHEBTTPK-UHFFFAOYSA-N
DG53305	diethyl 2-benzamido-2-[(2-formyl-1H-indol-3-yl)methyl]propanedioate	363116	NSC627684; CHEMBL1993705; Diethyl 2-(benzoylamino)-2-((2-formyl-1H-indol-3-yl)methyl)malonate; diethyl 2-benzamido-2-[(2-formyl-1H-indol-3-yl)methyl]propanedioate; NSC-627684; NCI60_008857	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627684	.	.	.	.	436.5	C24H24N2O6	115	672	3.7	32	2	6	11	"InChI=1S/C24H24N2O6/c1-3-31-22(29)24(23(30)32-4-2,26-21(28)16-10-6-5-7-11-16)14-18-17-12-8-9-13-19(17)25-20(18)15-27/h5-13,15,25H,3-4,14H2,1-2H3,(H,26,28)"	CCOC(=O)C(CC1=C(NC2=CC=CC=C21)C=O)(C(=O)OCC)NC(=O)C3=CC=CC=C3	INPONGOTQJDKST-UHFFFAOYSA-N
DG53306	"7-Bromo-6a,9b-dihydro-1H-benzo[ij][2,7]naphthyridine"	363119	"NSC627687; 7-Bromo-6a,9b-dihydro-1H-benzo[ij][2,7]naphthyridine; CHEMBL1979807; NSC-627687; NCI60_008860"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627687	.	.	.	.	249.11	C11H9BrN2	24.4	427	1.2	14	1	2	0	"InChI=1S/C11H9BrN2/c12-8-1-2-9-10-7(3-5-13-9)4-6-14-11(8)10/h1-6,10-11,13H"	C1=CNC2=CC=C(C3C2C1=CC=N3)Br	BRKQTXFMIRVPGN-UHFFFAOYSA-N
DG53307	NSC627695	363126	"5-(1,3-benzodioxol-5-yl)-6H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one; 5-(1,3-benzodioxol-5-yl)-8H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one; NSC627695; CHEMBL1988934; Taiwanin C & Justicidin E (3:1); NSC-627695; NCI60_008867; 3-Hydroxymethyl-6,4-(methylenedioxy) phenyl]-2-naphthoic acid .gamma.-lactone (Taiwanin C)mixture with Justicidin E (3:1); 3-Hydroxymethyl-6,7-(methylenedioxy)-1-[3,4-(methylenedioxy)phenyl]-2-naphthoic acid .gamma.-lactone & Justicidin E (3:1); 5-(1,3-benzodioxol-5-yl)-6H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one; 5-(1,3-benzodioxol-5-yl)-8H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627695	.	.	.	.	696.6	C40H24O12	126	1160	.	52	0	12	2	"InChI=1S/2C20H12O6/c21-20-13-3-11-5-17-18(26-9-25-17)6-12(11)19(14(13)7-22-20)10-1-2-15-16(4-10)24-8-23-15;21-20-19-12(7-22-20)3-11-5-16-17(26-9-25-16)6-13(11)18(19)10-1-2-14-15(4-10)24-8-23-14/h2*1-6H,7-9H2"	C1C2=C(C(=C3C=C4C(=CC3=C2)OCO4)C5=CC6=C(C=C5)OCO6)C(=O)O1.C1C2=C(C=C3C=C4C(=CC3=C2C5=CC6=C(C=C5)OCO6)OCO4)C(=O)O1	ALWPPAPXQHHWJJ-UHFFFAOYSA-N
DG53308	"5-(1,3-Benzodioxol-5-yl)isobenzofuro[5,6-f][1,3]benzodioxole-6,8-dione; ethyl acetate"	363129	"NSC627696; CHEMBL2000895; NSC-627696; Ethyl acetate compound with 5-(1,3-benzodioxol-5-yl)furo[3',4':6,7]naphtho[2,3-d][1,3]dioxole-6,8-dione (1:1); 6,4'-methylenedioxyphenyl)naphthalene-2,3-dicarboxylic acid anhydride; 5-(1,3-benzodioxol-5-yl)isobenzofuro[5,6-f][1,3]benzodioxole-6,8-dione; ethyl acetate; 6,7-Methylenedioxy-1-(3',4'-methylenedioxyphenyl)naphthalene-2, 3-dicarboxylic acid anhydride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627696	.	.	.	.	450.4	C24H18O9	107	700	.	33	0	9	3	"InChI=1S/C20H10O7.C4H8O2/c21-19-12-3-10-5-15-16(26-8-25-15)6-11(10)17(18(12)20(22)27-19)9-1-2-13-14(4-9)24-7-23-13;1-3-6-4(2)5/h1-6H,7-8H2;3H2,1-2H3"	CCOC(=O)C.C1OC2=C(O1)C=C(C=C2)C3=C4C=C5C(=CC4=CC6=C3C(=O)OC6=O)OCO5	XTCGANMZSYTMSQ-UHFFFAOYSA-N
DG53309	9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)ethyl)acridine	363144	NSC627728; CHEMBL2002491; 9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)ethyl)acridine; NSC-627728; NCI60_008882; 1-[4-(2-acridin-9-ylethylamino)phenyl]sulfonylguanidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627728	.	.	.	.	419.5	C22H21N5O2S	132	673	3.5	30	3	5	6	"InChI=1S/C22H21N5O2S/c23-22(24)27-30(28,29)16-11-9-15(10-12-16)25-14-13-17-18-5-1-3-7-20(18)26-21-8-4-2-6-19(17)21/h1-12,25H,13-14H2,(H4,23,24,27)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CCNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N	ZXWHDFAFFXJNMK-UHFFFAOYSA-N
DG53310	N-(4-((9-Acridinylmethyl)amino)-3-methoxyphenyl)methanesulfonamide	363146	NSC627730; CHEMBL1997019; N-(4-((9-Acridinylmethyl)amino)-3-methoxyphenyl)methanesulfonamide; NSC-627730; NCI60_008884; N-[4-(acridin-9-ylmethylamino)-3-methoxy-phenyl]methanesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627730	.	.	.	.	407.5	C22H21N3O3S	88.7	616	3.9	29	2	6	6	"InChI=1S/C22H21N3O3S/c1-28-22-13-15(25-29(2,26)27)11-12-21(22)23-14-18-16-7-3-5-9-19(16)24-20-10-6-4-8-17(18)20/h3-13,23,25H,14H2,1-2H3"	COC1=C(C=CC(=C1)NS(=O)(=O)C)NCC2=C3C=CC=CC3=NC4=CC=CC=C42	NMDJDNDZHVPDQQ-UHFFFAOYSA-N
DG53311	2-(Acridin-9-ylamino)-5-guanidino-pentanoic acid	363147	NSC627731; CHEMBL1968817; NSC-627731; NCI60_008885; 2-(acridin-9-ylamino)-5-guanidino-pentanoic acid; N~2~-(9-Acridinyl)-N~5~-(amino(imino)methyl)ornithine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627731	.	.	.	.	351.4	C19H21N5O2	127	486	2.3	26	4	5	7	"InChI=1S/C19H21N5O2/c20-19(21)22-11-5-10-16(18(25)26)24-17-12-6-1-3-8-14(12)23-15-9-4-2-7-13(15)17/h1-4,6-9,16H,5,10-11H2,(H,23,24)(H,25,26)(H4,20,21,22)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(CCCN=C(N)N)C(=O)O	ZGDSAZAHLPCXAT-UHFFFAOYSA-N
DG53312	2-(Acridin-9-ylamino)-5-amino-5-oxo-pentanoic acid	363148	NSC627732; N~2~-acridin-9-ylglutamine; N~2~-(9-Acridinyl)glutamine; CHEMBL1980734; STL050306; AKOS005703429; MCULE-7305875507; NSC-627732; NCI60_008886; 2-(acridin-9-ylamino)-5-amino-5-oxo-pentanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627732	.	.	.	.	323.3	C18H17N3O3	105	448	2.3	24	3	5	6	"InChI=1S/C18H17N3O3/c19-16(22)10-9-15(18(23)24)21-17-11-5-1-3-7-13(11)20-14-8-4-2-6-12(14)17/h1-8,15H,9-10H2,(H2,19,22)(H,20,21)(H,23,24)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(CCC(=O)N)C(=O)O	MCEOSFLPPNZGRR-UHFFFAOYSA-N
DG53313	N-(9-Acridinyl)cysteine	363149	NSC627733; N-(9-Acridinyl)cysteine; 2-(acridin-9-ylamino)-3-sulfanylpropanoic acid; CHEMBL1994716; NSC-627733; NCI60_008887; 2-(acridin-9-ylamino)-3-sulfanyl-propanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627733	.	.	.	.	298.4	C16H14N2O2S	63.2	357	3.4	21	3	5	4	"InChI=1S/C16H14N2O2S/c19-16(20)14(9-21)18-15-10-5-1-3-7-12(10)17-13-8-4-2-6-11(13)15/h1-8,14,21H,9H2,(H,17,18)(H,19,20)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(CS)C(=O)O	DQGKFIHXOFMATO-UHFFFAOYSA-N
DG53314	2-(Acridin-9-ylmethylamino)-5-guanidino-pentanoic acid	363151	NSC627736; NSC-627736; CHEMBL1161926; NCI60_008890; 2-(acridin-9-ylmethylamino)-5-guanidino-pentanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627736	.	.	.	.	365.4	C20H23N5O2	127	501	-0.6	27	4	5	8	"InChI=1S/C20H23N5O2/c21-20(22)23-11-5-10-18(19(26)27)24-12-15-13-6-1-3-8-16(13)25-17-9-4-2-7-14(15)17/h1-4,6-9,18,24H,5,10-12H2,(H,26,27)(H4,21,22,23)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CNC(CCCN=C(N)N)C(=O)O	FVMRGTYRGOCMEN-UHFFFAOYSA-N
DG53315	((9-Acridinylmethyl)amino)acetic acid	363154	NSC627740; ((9-Acridinylmethyl)amino)acetic acid; 2-(acridin-9-ylmethylamino)acetic acid; CHEMBL1995694; NSC-627740; NCI60_008894	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627740	.	.	.	.	266.29	C16H14N2O2	62.2	325	0.2	20	2	4	4	"InChI=1S/C16H14N2O2/c19-16(20)10-17-9-13-11-5-1-3-7-14(11)18-15-8-4-2-6-12(13)15/h1-8,17H,9-10H2,(H,19,20)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CNCC(=O)O	JLWPUIDGVMRIRM-UHFFFAOYSA-N
DG53316	"17alpha-Aza-D-homo-5-androseno[16,17-d]isoxazol-3beta-yl acetate"	363156	"NSC627757; CHEMBL1977591; NSC-627757; NCI60_008905; 17.alpha.-Aza-D-homo-5-androseno[16,17-d]isoxazol-3.beta.-yl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627757	.	.	.	.	370.5	C22H30N2O3	64.4	664	4	27	1	5	2	"InChI=1S/C22H30N2O3/c1-13(25)26-16-6-8-21(2)15(11-16)4-5-17-18(21)7-9-22(3)19(17)10-14-12-23-27-20(14)24-22/h4,12,16-19,24H,5-11H2,1-3H3/t16-,17+,18 ,19 ,21-,22-/m0/s1"	CC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C([C@@H]3CC=C2C1)CC5=C(N4)ON=C5)C)C	OEKPCRMLGNUUCU-NPXXQDQYSA-N
DG53317	"2'-Phenyl-17a-aza-D-homo-5-androsteno[17,16-c]pyrazol-3beta-yl acetate"	363158	"NSC627759; CHEMBL1973955; NSC-627759; NCI60_008907; 2'-Phenyl-17a-aza-D-homo-5-androsteno[17,16-c]pyrazol-3.beta.-yl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627759	.	.	.	.	445.6	C28H35N3O2	56.2	807	5.5	33	1	4	3	"InChI=1S/C28H35N3O2/c1-18(32)33-22-11-13-27(2)20(16-22)9-10-23-24(27)12-14-28(3)25(23)15-19-17-29-31(26(19)30-28)21-7-5-4-6-8-21/h4-9,17,22-25,30H,10-16H2,1-3H3/t22-,23+,24 ,25 ,27-,28-/m0/s1"	CC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C([C@@H]3CC=C2C1)CC5=C(N4)N(N=C5)C6=CC=CC=C6)C)C	XVVJHYWVIHHEOR-HEKMWYBJSA-N
DG53318	"2'Phenyl-17a-aza-D-homo-5-androsteno[17,16-c]pyrazol-3beta-ol"	363159	"NSC627760; CHEMBL1982813; NSC-627760; NCI60_008908; 2'Phenyl-17a-aza-D-homo-5-androsteno[17,16-c]pyrazol-3.beta.-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627760	.	.	.	.	403.6	C26H33N3O	50.1	702	4.9	30	2	3	1	"InChI=1S/C26H33N3O/c1-25-12-10-20(30)15-18(25)8-9-21-22(25)11-13-26(2)23(21)14-17-16-27-29(24(17)28-26)19-6-4-3-5-7-19/h3-8,16,20-23,28,30H,9-15H2,1-2H3/t20-,21+,22 ,23 ,25-,26-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3C2CC[C@]4(C3CC5=C(N4)N(N=C5)C6=CC=CC=C6)C)O	FJUADJYJHHYVLD-ADDMTJTHSA-N
DG53319	"4-Aza-5alpha-androstano[3,2-c]pyrazol-17. beta.-yl acetate"	363166	"NSC627767; CHEMBL1971670; NSC-627767; NCI60_008914; 4-Aza-5.alpha.-androstano[3,2-c]pyrazol-17. beta.-yl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627767	.	.	.	.	357.5	C21H31N3O2	67	598	4.3	26	2	4	2	"InChI=1S/C21H31N3O2/c1-12(25)26-18-7-5-15-14-4-6-17-21(3,16(14)8-9-20(15,18)2)10-13-11-22-24-19(13)23-17/h11,14-18H,4-10H2,1-3H3,(H2,22,23,24)/t14-,15 ,16 ,17 ,18-,20-,21+/m0/s1"	CC(=O)O[C@H]1CCC2[C@@]1(CCC3[C@H]2CCC4[C@@]3(CC5=C(N4)NN=C5)C)C	TXIDYABROZTEFW-AXYCQOOYSA-N
DG53320	"4-Aza-5alpha-cholestano[3,2-c]isoxazole"	363168	"NSC627769; NSC-627769; NCI60_008916; 4-Aza-5.alpha.-cholestano[3,2-c]isoxazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627769	.	.	.	.	412.7	C27H44N2O	38.1	622	9.1	30	1	3	5	"InChI=1S/C27H44N2O/c1-17(2)7-6-8-18(3)21-10-11-22-20-9-12-24-27(5,23(20)13-14-26(21,22)4)15-19-16-30-29-25(19)28-24/h16-18,20-24H,6-15H2,1-5H3,(H,28,29)/t18 ,20-,21+,22 ,23 ,24 ,26+,27+/m0/s1"	CC(C)CCCC(C)[C@H]1CCC2[C@@]1(CCC3[C@H]2CCC4[C@@]3(CC5=CON=C5N4)C)C	CDSNJPKIZZSWGQ-NMGUKKPCSA-N
DG53321	"4-Aza-2'-phenyl-5alpha-cholestano[3,2-c]pyrazole"	363170	"NSC627771; NSC-627771; NCI60_008917; 4-Aza-2'-phenyl-5.alpha.-cholestano[3,2-c]pyrazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627771	.	.	.	.	487.8	C33H49N3	29.8	760	10.6	36	1	2	6	"InChI=1S/C33H49N3/c1-22(2)10-9-11-23(3)27-15-16-28-26-14-17-30-33(5,29(26)18-19-32(27,28)4)20-24-21-34-36(31(24)35-30)25-12-7-6-8-13-25/h6-8,12-13,21-23,26-30,35H,9-11,14-20H2,1-5H3/t23 ,26-,27+,28 ,29 ,30 ,32+,33+/m0/s1"	CC(C)CCCC(C)[C@H]1CCC2[C@@]1(CCC3[C@H]2CCC4[C@@]3(CC5=C(N4)N(N=C5)C6=CC=CC=C6)C)C	NVMSFEPHYDXOFV-IYSHXCQISA-N
DG53322	2-[(4E)-4-(4-dimethylaminophenyl)imino-1-naphthylidene]propanedinitrile	363173	"NSC627777; Neuro_000262; CHEMBL2001806; SCHEMBL14431205; ZINC18140317; ZINC104280948; NSC-627777; NCI60_008922; 2-[(4E)-4-(4-dimethylaminophenyl)imino-1-naphthylidene]propanedinitrile; 1, 2-[[4-[4-(dimethylamino)phenyl]imino]- 1,4-dihydro-1-naphthalenylidene]-; 1,3-Propanedinitrile, 2-[[4-[4-(dimethylamino)phenyl]imino]-1,4-dihydro-1-naphthalenylidene]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627777	.	.	.	.	324.4	C21H16N4	63.2	668	3.6	25	0	4	2	"InChI=1S/C21H16N4/c1-25(2)17-9-7-16(8-10-17)24-21-12-11-18(15(13-22)14-23)19-5-3-4-6-20(19)21/h3-12H,1-2H3"	CN(C)C1=CC=C(C=C1)N=C2C=CC(=C(C#N)C#N)C3=CC=CC=C23	VAJFTXOQBPMGCF-UHFFFAOYSA-N
DG53323	"8(5H)-Quinolinone, 7-chloro-5-[[4-(diethylamino)-2-methylphenyl]imino]-, (5Z)-"	363174	"NSC627778; 120015-12-5; CHEMBL1987933; DTXSID80327045; NSC-627778; 8(5H)-Quinolinone, 7-chloro-5-[[4-(diethylamino)-2-methylphenyl]imino]-, (5Z)-; NCI60_008923; (5Z)-7-chloro-5-[4-(diethylamino)-2-methyl-phenyl]imino-quinolin-8-one; 7-Chloro-5-((4-(diethylamino)-2-methylphenyl)imino)quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627778	.	.	.	.	353.8	C20H20ClN3O	45.6	555	4.6	25	0	4	4	"InChI=1S/C20H20ClN3O/c1-4-24(5-2)14-8-9-17(13(3)11-14)23-18-12-16(21)20(25)19-15(18)7-6-10-22-19/h6-12H,4-5H2,1-3H3"	CCN(CC)C1=CC(=C(C=C1)N=C2C=C(C(=O)C3=C2C=CC=N3)Cl)C	BNKIJSIWUMPQAA-UHFFFAOYSA-N
DG53324	S-(4-Methoxyphenyl) 4-methoxybenzenesulfonothioate	363177	"NSC627781; S-(4-Methoxyphenyl) 4-methoxybenzenesulfonothioate; 1153-43-1; SCHEMBL7537258; CHEMBL1980866; DTXSID40327046; NSC-627781; NCI60_008926; p-Methoxyphenylthio p-methoxyphenyl sulfone; 1-methoxy-4-(4-methoxyphenyl)sulfonylsulfanyl-benzene; 4-Methoxyphenylsulfonic acid, 4-methoxyphenthiol ester; S-(4-Methoxyphenyl) 4-methoxybenzenesulfonothioate #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627781	.	.	.	.	310.4	C14H14O4S2	86.3	375	3.1	20	0	5	5	"InChI=1S/C14H14O4S2/c1-17-11-3-7-13(8-4-11)19-20(15,16)14-9-5-12(18-2)6-10-14/h3-10H,1-2H3"	COC1=CC=C(C=C1)SS(=O)(=O)C2=CC=C(C=C2)OC	UVFDAEOUCRNSKO-UHFFFAOYSA-N
DG53325	Methyl 4-[[methyl-[(4-nitrophenoxy)methyl]amino]diazenyl]benzoate	363185	NSC627858; CHEMBL1988413; NSC-627858; NCI60_008933	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627858	.	.	.	.	344.32	C16H16N4O5	109	466	4	25	0	8	7	"InChI=1S/C16H16N4O5/c1-19(11-25-15-9-7-14(8-10-15)20(22)23)18-17-13-5-3-12(4-6-13)16(21)24-2/h3-10H,11H2,1-2H3"	CN(COC1=CC=C(C=C1)[N+](=O)[O-])N=NC2=CC=C(C=C2)C(=O)OC	WEZZLRGFYXSRCN-UHFFFAOYSA-N
DG53326	"3,4-Bis(2-anilino-2-oxoethyl)-N~2~,N~5~-diphenyl-2,5-thiophenedicarboxamide"	363194	"NSC627868; CHEMBL1974607; NSC-627868; NCI60_008938; 3,4-bis(2-anilino-2-oxo-ethyl)-N2,N5-diphenyl-thiophene-2,5-dicarboxamide; 3,4-Bis(2-anilino-2-oxoethyl)-N~2~,N~5~-diphenyl-2,5-thiophenedicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627868	.	.	.	.	588.7	C34H28N4O4S	145	865	5.5	43	4	5	10	"InChI=1S/C34H28N4O4S/c39-29(35-23-13-5-1-6-14-23)21-27-28(22-30(40)36-24-15-7-2-8-16-24)32(34(42)38-26-19-11-4-12-20-26)43-31(27)33(41)37-25-17-9-3-10-18-25/h1-20H,21-22H2,(H,35,39)(H,36,40)(H,37,41)(H,38,42)"	C1=CC=C(C=C1)NC(=O)CC2=C(SC(=C2CC(=O)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4)C(=O)NC5=CC=CC=C5	UBFFFZZNIQKWNU-UHFFFAOYSA-N
DG53327	2-hydroxy-5-[[(E)-(10-oxidoacridin-10-ium-9-yl)methyleneamino]sulfamoyl]benzoic acid	363212	NSC627890; CHEMBL1972520; NSC-627890; NCI60_008959; 2-hydroxy-5-[[(E)-(10-oxidoacridin-10-ium-9-yl)methyleneamino]sulfamoyl]benzoic acid; 2-Hydroxy-5-((2-((10-hydroxy-10.lambda.~5~-acridin-9-yl)methylene)hydrazino)sulfonyl)benzoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627890	.	.	.	.	437.4	C21H15N3O6S	148	813	3.9	31	3	9	4	"InChI=1S/C21H15N3O6S/c25-20-10-9-13(11-16(20)21(26)27)31(29,30)23-22-12-17-14-5-1-3-7-18(14)24(28)19-8-4-2-6-15(17)19/h1-12,25,28H,(H,26,27)"	C1=CC=C2C(=C1)C(=CN=NS(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O)C4=CC=CC=C4N2O	UBADJRMJFHMSCU-UHFFFAOYSA-N
DG53328	4-methyl-N-[(E)-(10-oxidoacridin-10-ium-9-yl)methyleneamino]benzenesulfonamide	363213	NSC627891; CHEMBL1970586; NSC-627891; NCI60_008960; 4-methyl-N-[(E)-(10-oxidoacridin-10-ium-9-yl)methyleneamino]benzenesulfonamide; N'-((10-Hydroxy-10.lambda.~5~-acridin-9-yl)methylene)-4-methylbenzenesulfonohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627891	.	.	.	.	391.4	C21H17N3O3S	90.7	681	4.6	28	1	6	3	"InChI=1S/C21H17N3O3S/c1-15-10-12-16(13-11-15)28(26,27)23-22-14-19-17-6-2-4-8-20(17)24(25)21-9-5-3-7-18(19)21/h2-14,25H,1H3"	CC1=CC=C(C=C1)S(=O)(=O)N=NC=C2C3=CC=CC=C3N(C4=CC=CC=C42)O	QMZPDKUVPPMLGH-UHFFFAOYSA-N
DG53329	"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-(2-methylphenyl)-"	363226	"NSC627972; Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-(2-methylphenyl)-; CHEMBL416492; NSC-627972; NCI60_008983; 3-methyl-10-(o-tolyl)benzo[g]pteridine-2,4-dione; 3-Methyl-10-[2-methylphenyl]pyrimido[4,5-b]quinoxaline-2,4(3H,10H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627972	.	.	.	.	318.3	C18H14N4O2	65.3	627	2.6	24	0	3	1	"InChI=1S/C18H14N4O2/c1-11-7-3-5-9-13(11)22-14-10-6-4-8-12(14)19-15-16(22)20-18(24)21(2)17(15)23/h3-10H,1-2H3"	CC1=CC=CC=C1N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)C	GTJWDRBWXVWTEL-UHFFFAOYSA-N
DG53330	"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-(4-methylphenyl)-"	363227	"NSC627973; Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-(4-methylphenyl)-; CHEMBL298930; NSC-627973; NCI60_008984; 3-methyl-10-(p-tolyl)benzo[g]pteridine-2,4-dione; 3-Methyl-10-[4-methylphenyl]pyrimido[4,5-b]quinoxaline-2,4(3H,10H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627973	.	.	.	.	318.3	C18H14N4O2	65.3	619	2.6	24	0	3	1	"InChI=1S/C18H14N4O2/c1-11-7-9-12(10-8-11)22-14-6-4-3-5-13(14)19-15-16(22)20-18(24)21(2)17(15)23/h3-10H,1-2H3"	CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)C	CMWYEHWVMFIHLR-UHFFFAOYSA-N
DG53331	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2,4-dimethylphenyl)-3-methyl-"	363228	"NSC627974; Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2,4-dimethylphenyl)-3-methyl-; CHEMBL296599; NSC-627974; NCI60_008985; 10-(2,4-dimethylphenyl)-3-methyl-benzo[g]pteridine-2,4-dione; 3-Methyl-10-[2,4-dimethylphenyl]pyrimido[4,5-b]quinoxaline-2,4(3H,10H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627974	.	.	.	.	332.4	C19H16N4O2	65.3	656	3	25	0	3	1	"InChI=1S/C19H16N4O2/c1-11-8-9-14(12(2)10-11)23-15-7-5-4-6-13(15)20-16-17(23)21-19(25)22(3)18(16)24/h4-10H,1-3H3"	CC1=CC(=C(C=C1)N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)C)C	CFNSKGMWEDNPHT-UHFFFAOYSA-N
DG53332	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3,5-dimethylphenyl)-3-methyl-"	363229	"NSC627975; Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3,5-dimethylphenyl)-3-methyl-; CHEMBL53251; NSC-627975; NCI60_008986; 10-(3,5-dimethylphenyl)-3-methyl-benzo[g]pteridine-2,4-dione; 3-Methyl-10-[3,5-dimethylphenyl]pyrimido[4,5-b]quinoxaline-2,4(3H,10H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627975	.	.	.	.	332.4	C19H16N4O2	65.3	646	3	25	0	3	1	"InChI=1S/C19H16N4O2/c1-11-8-12(2)10-13(9-11)23-15-7-5-4-6-14(15)20-16-17(23)21-19(25)22(3)18(16)24/h4-10H,1-3H3"	CC1=CC(=CC(=C1)N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)C)C	CQMRFEMSYCXHHU-UHFFFAOYSA-N
DG53333	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-chlorophenyl)-3-methyl-"	363230	"NSC627976; Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-chlorophenyl)-3-methyl-; CHEMBL54179; NSC-627976; NCI60_008987; 10-(3-chlorophenyl)-3-methyl-benzo[g]pteridine-2,4-dione; 3-Methyl-10-(3-chlorophenyl)pyrimido[4,5-b]quinoxaline-2,4(3H,10H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627976	.	.	.	.	338.7	C17H11ClN4O2	65.3	632	2.9	24	0	3	1	"InChI=1S/C17H11ClN4O2/c1-21-16(23)14-15(20-17(21)24)22(11-6-4-5-10(18)9-11)13-8-3-2-7-12(13)19-14/h2-9H,1H3"	CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=CC=C4)Cl	YGSAGYVQVARNMT-UHFFFAOYSA-N
DG53334	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2,5-dichlorophenyl)-3-methyl-"	363231	"NSC627977; Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2,5-dichlorophenyl)-3-methyl-; CHEMBL296801; NSC-627977; NCI60_008988; 10-(2,5-dichlorophenyl)-3-methyl-benzo[g]pteridine-2,4-dione; 3-Methyl-10-(2,5-dichlorophenyl)pyrimido[4,5-b]quinoxaline-2,4(3H,10H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627977	.	.	.	.	373.2	C17H10Cl2N4O2	65.3	665	3.5	25	0	3	1	"InChI=1S/C17H10Cl2N4O2/c1-22-16(24)14-15(21-17(22)25)23(12-5-3-2-4-11(12)20-14)13-8-9(18)6-7-10(13)19/h2-8H,1H3"	CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=C(C=CC(=C4)Cl)Cl	JATLMKVSELNNQL-UHFFFAOYSA-N
DG53335	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-fluorophenyl)-3-methyl-"	363233	"NSC627979; Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-fluorophenyl)-3-methyl-; CHEMBL300961; NSC-627979; NCI60_008990; 10-(3-fluorophenyl)-3-methyl-benzo[g]pteridine-2,4-dione; 3-Methyl-10-(3-fluorophenyl)pyrimido[4,5-b]quinoxaline-2,4(3H,10H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627979	.	.	.	.	322.29	C17H11FN4O2	65.3	632	2.4	24	0	4	1	"InChI=1S/C17H11FN4O2/c1-21-16(23)14-15(20-17(21)24)22(11-6-4-5-10(18)9-11)13-8-3-2-7-12(13)19-14/h2-9H,1H3"	CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=CC=C4)F	GMSZMCYBBBHTRI-UHFFFAOYSA-N
DG53336	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-fluorophenyl)-3-methyl-"	363234	"NSC627980; Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-fluorophenyl)-3-methyl-; CHEMBL51703; NSC-627980; NCI60_008991; 10-(4-fluorophenyl)-3-methyl-benzo[g]pteridine-2,4-dione; 3-Methyl-10-(4-fluorophenyl)pyrimido[4,5-b]quinoxaline-2,4(3H,10H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627980	.	.	.	.	322.29	C17H11FN4O2	65.3	624	2.4	24	0	4	1	"InChI=1S/C17H11FN4O2/c1-21-16(23)14-15(20-17(21)24)22(11-8-6-10(18)7-9-11)13-5-3-2-4-12(13)19-14/h2-9H,1H3"	CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC=C(C=C4)F	RFTCBTJXJMOHSW-UHFFFAOYSA-N
DG53337	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3,4-difluorophenyl)-3-methyl-"	363235	"NSC627981; Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3,4-difluorophenyl)-3-methyl-; CHEMBL51157; NSC-627981; NCI60_008992; 10-(3,4-difluorophenyl)-3-methyl-benzo[g]pteridine-2,4-dione; 3-Methyl-10-(3,4-difluorophenyl)pyrimido[4,5-b]quinoxaline-2,4(3H,10H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627981	.	.	.	.	340.28	C17H10F2N4O2	65.3	665	2.5	25	0	5	1	"InChI=1S/C17H10F2N4O2/c1-22-16(24)14-15(21-17(22)25)23(9-6-7-10(18)11(19)8-9)13-5-3-2-4-12(13)20-14/h2-8H,1H3"	CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=C(C=C4)F)F	VBFALOULUXMSCF-UHFFFAOYSA-N
DG53338	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-bromophenyl)-3-methyl-"	363237	"NSC627983; Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-bromophenyl)-3-methyl-; CHEMBL52622; NSC-627983; NCI60_008994; 10-(4-bromophenyl)-3-methyl-benzo[g]pteridine-2,4-dione; 3-Methyl-10-(4-bromophenyl)-benzo[g]pteridine-2,4(3H,10H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627983	.	.	.	.	383.2	C17H11BrN4O2	65.3	624	2.9	24	0	3	1	"InChI=1S/C17H11BrN4O2/c1-21-16(23)14-15(20-17(21)24)22(11-8-6-10(18)7-9-11)13-5-3-2-4-12(13)19-14/h2-9H,1H3"	CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC=C(C=C4)Br	NIHJNBOBPVEDID-UHFFFAOYSA-N
DG53339	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2-ethylphenyl)-3-methyl-"	363238	"NSC627984; Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2-ethylphenyl)-3-methyl-; CHEMBL301074; NSC-627984; NCI60_008995; 10-(2-ethylphenyl)-3-methyl-benzo[g]pteridine-2,4-dione; 3-Methyl-10-[2-ethylphenyl]pyrimido[4,5-b]quinoxaline-2,4(3H,10H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627984	.	.	.	.	332.4	C19H16N4O2	65.3	641	3	25	0	3	2	"InChI=1S/C19H16N4O2/c1-3-12-8-4-6-10-14(12)23-15-11-7-5-9-13(15)20-16-17(23)21-19(25)22(2)18(16)24/h4-11H,3H2,1-2H3"	CCC1=CC=CC=C1N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)C	RTMDICMDIJLALY-UHFFFAOYSA-N
DG53340	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-butylphenyl)-3-methyl-"	363239	"NSC627985; Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-butylphenyl)-3-methyl-; CHEMBL52731; NSC-627985; NCI60_008996; 10-(4-butylphenyl)-3-methyl-benzo[g]pteridine-2,4-dione; 3-Methyl-10-[4-butylphenyl]pyrimido[4,5-b]quinoxaline-2,4(3H,10H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627985	.	.	.	.	360.4	C21H20N4O2	65.3	663	4.1	27	0	3	4	"InChI=1S/C21H20N4O2/c1-3-4-7-14-10-12-15(13-11-14)25-17-9-6-5-8-16(17)22-18-19(25)23-21(27)24(2)20(18)26/h5-6,8-13H,3-4,7H2,1-2H3"	CCCCC1=CC=C(C=C1)N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)C	JLAJYFGZSQCUQX-UHFFFAOYSA-N
DG53341	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-hydroxyphenyl)-3-methyl-"	363240	"NSC627986; Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-hydroxyphenyl)-3-methyl-; CHEMBL53706; NSC-627986; NCI60_008997; 10-(4-hydroxyphenyl)-3-methyl-benzo[g]pteridine-2,4-dione; 3-Methyl-10-[4-hydroxyphenyl]pyrimido[4,5-b]quinoxaline-2,4(3H,10H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627986	.	.	.	.	320.3	C17H12N4O3	85.6	621	1.9	24	1	4	1	"InChI=1S/C17H12N4O3/c1-20-16(23)14-15(19-17(20)24)21(10-6-8-11(22)9-7-10)13-5-3-2-4-12(13)18-14/h2-9,22H,1H3"	CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC=C(C=C4)O	MKNALTBDBSYVSP-UHFFFAOYSA-N
DG53342	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-methoxyphenyl)-3-methyl-"	363241	"NSC627987; Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-methoxyphenyl)-3-methyl-; CHEMBL53042; NSC-627987; NCI60_008998; 10-(3-methoxyphenyl)-3-methyl-benzo[g]pteridine-2,4-dione; 3-Methyl-10-[3-methoxyphenyl]pyrimido[4,5-b]quinoxaline-2,4(3H,10H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627987	.	.	.	.	334.3	C18H14N4O3	74.6	644	2.2	25	0	4	2	"InChI=1S/C18H14N4O3/c1-21-17(23)15-16(20-18(21)24)22(11-6-5-7-12(10-11)25-2)14-9-4-3-8-13(14)19-15/h3-10H,1-2H3"	CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=CC=C4)OC	KETXYHORFAVXFQ-UHFFFAOYSA-N
DG53343	"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-[3-(methylthio)phenyl]-"	363242	"NSC627988; Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-[3-(methylthio)phenyl]-; CHEMBL299366; 3-methyl-10-(3-methylsulfanylphenyl)benzo[g]pteridine-2,4-dione; NSC-627988; NCI60_008999; 3-Methyl-10-[3-methylthiophenyl]pyrimido[4,5-b]quinoxaline-2,4(3H,10H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627988	.	.	.	.	350.4	C18H14N4O2S	90.6	647	2.8	25	0	4	2	"InChI=1S/C18H14N4O2S/c1-21-17(23)15-16(20-18(21)24)22(11-6-5-7-12(10-11)25-2)14-9-4-3-8-13(14)19-15/h3-10H,1-2H3"	CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=CC=C4)SC	DXGJAVBSXROSIS-UHFFFAOYSA-N
DG53344	"Benzo[g]pteridine-2,4(3H,10H)-dione, 7-chloro-10-(4-chlorophenyl)-3-methyl-"	363244	"NSC627990; Benzo[g]pteridine-2,4(3H,10H)-dione, 7-chloro-10-(4-chlorophenyl)-3-methyl-; CHEMBL1970424; NSC-627990; NCI60_009001; 7-chloro-10-(4-chlorophenyl)-3-methyl-benzo[g]pteridine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627990	.	.	.	.	373.2	C17H10Cl2N4O2	65.3	657	3.5	25	0	3	1	"InChI=1S/C17H10Cl2N4O2/c1-22-16(24)14-15(21-17(22)25)23(11-5-2-9(18)3-6-11)13-7-4-10(19)8-12(13)20-14/h2-8H,1H3"	CN1C(=O)C2=NC3=C(C=CC(=C3)Cl)N(C2=NC1=O)C4=CC=C(C=C4)Cl	QEYHOVKABYDDMC-UHFFFAOYSA-N
DG53345	"8-Chloro-10-(4-chlorophenyl)-3-methylbenzo[g]pteridine-2,4(3H,10H)-dione"	363245	"NSC627991; NSC-627991; NCIMech_000570; CHEMBL1990568; Benzo[g]pteridine-2,4-dione der.; ZINC1619729; CCG-35608; 8-Chloro-10-(4-chlorophenyl)-3-methylbenzo[g]pteridine-2,4(3H,10H)-dione; NCI60_009002; 8-chloro-10-(4-chlorophenyl)-3-methyl-benzo[g]pteridine-2,4-dione; Benzo[g]pteridine-2, 8-chloro-10-(4-chlorophenyl)- 3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627991	.	.	.	.	373.2	C17H10Cl2N4O2	65.3	657	3.5	25	0	3	1	"InChI=1S/C17H10Cl2N4O2/c1-22-16(24)14-15(21-17(22)25)23(11-5-2-9(18)3-6-11)13-8-10(19)4-7-12(13)20-14/h2-8H,1H3"	CN1C(=O)C2=NC3=C(C=C(C=C3)Cl)N(C2=NC1=O)C4=CC=C(C=C4)Cl	GJTZPMOIPVBQSW-UHFFFAOYSA-N
DG53346	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-chlorophenyl)-3,7,8-trimethyl-"	363246	"NSC627992; Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-chlorophenyl)-3,7,8-trimethyl-; CHEMBL1975421; NSC-627992; NCI60_009003; 10-(4-chlorophenyl)-3,7,8-trimethyl-benzo[g]pteridine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627992	.	.	.	.	366.8	C19H15ClN4O2	65.3	683	3.6	26	0	3	1	"InChI=1S/C19H15ClN4O2/c1-10-8-14-15(9-11(10)2)24(13-6-4-12(20)5-7-13)17-16(21-14)18(25)23(3)19(26)22-17/h4-9H,1-3H3"	CC1=CC2=C(C=C1C)N(C3=NC(=O)N(C(=O)C3=N2)C)C4=CC=C(C=C4)Cl	DBYQBYKIEWYPPF-UHFFFAOYSA-N
DG53347	"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-ethyl-10-[4-(methylthio)phenyl]-"	363247	"NSC627993; Benzo[g]pteridine-2,4(3H,10H)-dione, 3-ethyl-10-[4-(methylthio)phenyl]-; CHEMBL1972830; 3-ethyl-10-(4-methylsulfanylphenyl)benzo[g]pteridine-2,4-dione; ZINC01619731; NSC-627993; NCI60_009004"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627993	.	.	.	.	364.4	C19H16N4O2S	90.6	654	3.1	26	0	4	3	"InChI=1S/C19H16N4O2S/c1-3-22-18(24)16-17(21-19(22)25)23(12-8-10-13(26-2)11-9-12)15-7-5-4-6-14(15)20-16/h4-11H,3H2,1-2H3"	CCN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC=C(C=C4)SC	AKXVVDUUHLCSTO-UHFFFAOYSA-N
DG53348	"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-ethyl-10-phenyl-"	363248	"NSC627994; Benzo[g]pteridine-2,4(3H,10H)-dione, 3-ethyl-10-phenyl-; CHEMBL1982621; NSC-627994; NCI60_009005; 3-ethyl-10-phenyl-benzo[g]pteridine-2,4-dione; 3-Ethyl-10-phenylbenzo[g]pteridine-2,4(3H,10H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627994	.	.	.	.	318.3	C18H14N4O2	65.3	606	2.6	24	0	3	2	"InChI=1S/C18H14N4O2/c1-2-21-17(23)15-16(20-18(21)24)22(12-8-4-3-5-9-12)14-11-7-6-10-13(14)19-15/h3-11H,2H2,1H3"	CCN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC=CC=C4	FNNWTHVWCABIRR-UHFFFAOYSA-N
DG53349	"4b-hydroxy-10,10-dimethoxy-9aH-indeno[1,2-a]inden-9-one"	363252	"NSC628000; CHEMBL1965080; 4b-hydroxy-10,10-dimethoxy-9aH-indeno[1,2-a]inden-9-one; 10b-Hydroxy-6,6-dimethoxy-6,10b-dihydroindeno[1,2-a]inden-5(5aH)-one; NSC-628000; NCI60_009010"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628000	.	.	.	.	296.3	C18H16O4	55.8	472	1.3	22	1	4	2	"InChI=1S/C18H16O4/c1-21-18(22-2)14-10-6-5-9-13(14)17(20)12-8-4-3-7-11(12)15(19)16(17)18/h3-10,16,20H,1-2H3"	COC1(C2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C41)O)OC	XMAFWSHOTJIKIO-UHFFFAOYSA-N
DG53350	"1-(4-Chlorophenyl)-3-phenyl-1H-furo[3,4-b]pyrrole-4,6-dione"	363267	"NSC628018; 1-(4-Chlorophenyl)-3-phenyl-1H-furo[3,4-b]pyrrole-4,6-dione; CHEMBL1984571; ZINC73335294; NSC-628018; NCI60_009020; 1-(4-chlorophenyl)-3-phenyl-furo[3,4-b]pyrrole-4,6-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628018	.	.	.	.	323.7	C18H10ClNO3	48.3	483	4.3	23	0	3	2	InChI=1S/C18H10ClNO3/c19-12-6-8-13(9-7-12)20-10-14(11-4-2-1-3-5-11)15-16(20)18(22)23-17(15)21/h1-10H	C1=CC=C(C=C1)C2=CN(C3=C2C(=O)OC3=O)C4=CC=C(C=C4)Cl	CFEZBAYUXAWVGA-UHFFFAOYSA-N
DG53351	NSC628081	363286	"5-fluoro-2,4-dioxo-N-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,3,4,5,6-pentahydroxyhexanoylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylcarbamoylamino]hexyl]pyrimidine-1-carboxamide; NSC628081; Glucose/Amide/PEG Amine/Carbonyl/Hexamethylene/ Carbamoyl/5FU conjugate (MW=1480); CHEMBL1976608; NSC-628081; 5-fluoro-2,4-dioxo-N-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,3,4,5,6-pentahydroxyhexanoylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylcarbamoylamino]hexyl]pyrimidine-1-carboxamide; NCI60_009024"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628081	.	.	.	.	1489.7	C64H121FN6O31	444	1960	-6	102	10	32	80	"InChI=1S/C64H121FN6O31/c65-55-53-71(64(81)70-60(55)77)63(80)69-8-4-2-1-3-7-67-62(79)68-10-6-12-83-14-16-85-18-20-87-22-24-89-26-28-91-30-32-93-34-36-95-38-40-97-42-44-99-46-48-101-50-52-102-51-49-100-47-45-98-43-41-96-39-37-94-35-33-92-31-29-90-27-25-88-23-21-86-19-17-84-15-13-82-11-5-9-66-61(78)59(76)58(75)57(74)56(73)54-72/h53,56-59,72-76H,1-52,54H2,(H,66,78)(H,69,80)(H2,67,68,79)(H,70,77,81)"	C1=C(C(=O)NC(=O)N1C(=O)NCCCCCCNC(=O)NCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCNC(=O)C(C(C(C(CO)O)O)O)O)F	UVJLYUIXFSHKCE-UHFFFAOYSA-N
DG53352	Lactose/Amide/PEG Amine/Carbamoyl/Hexamethylene/Carbamoyl/5FU Conjugate (MW=1640)	363287	NSC628083; Lactose/Amide/PEG Amine/Carbamoyl/Hexamethylene/ Carbamoyl/5FU Conjugate (MW=1640); CHEMBL2001190; NSC-628083; NCI60_009025	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628083	.	.	.	.	1651.8	C70H131FN6O36	523	2280	-7.6	113	13	37	83	"InChI=1S/C70H131FN6O36/c71-56-53-77(70(90)76-65(56)86)69(89)75-8-4-2-1-3-7-73-68(88)74-10-6-12-92-14-16-94-18-20-96-22-24-98-26-28-100-30-32-102-34-36-104-38-40-106-42-44-108-46-48-110-50-52-111-51-49-109-47-45-107-43-41-105-39-37-103-35-33-101-31-29-99-27-25-97-23-21-95-19-17-93-15-13-91-11-5-9-72-66(87)62(84)61(83)64(57(80)54-78)113-67-63(85)60(82)59(81)58(55-79)112-67/h53,57-64,67,78-85H,1-52,54-55H2,(H,72,87)(H,75,89)(H2,73,74,88)(H,76,86,90)"	C1=C(C(=O)NC(=O)N1C(=O)NCCCCCCNC(=O)NCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCNC(=O)C(C(C(C(CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)F	ULNLTPFCOWQWFY-UHFFFAOYSA-N
DG53353	N-[2-[Methyl(2-chloroethyl)amino]ethyl]-2-methoxy-9-acridinamine	363296	"NSC628115; 9-N(N'-chloroethyl-N'-methyl-1,2-diaminoethyl) 2 methoxyacridine dihydrochloride; Neuro_000265; CHEMBL2008446; NCI60_009027; N-[2-[Methyl(2-chloroethyl)amino]ethyl]-2-methoxy-9-acridinamine; N'-(2-chloroethyl)-N-(2-methoxyacridin-9-yl)-N'-methyl-ethane-1,2-diamine; N~1~-(2-Chloroethyl)-N~2~-(2-methoxy-9-acridinyl)-N~1~-methyl-1,2-ethanediamine hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628115	.	.	.	.	343.8	C19H22ClN3O	37.4	384	4.1	24	1	4	7	"InChI=1S/C19H22ClN3O/c1-23(11-9-20)12-10-21-19-15-5-3-4-6-17(15)22-18-8-7-14(24-2)13-16(18)19/h3-8,13H,9-12H2,1-2H3,(H,21,22)"	CN(CCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl	YLKGWEIAFBGITF-UHFFFAOYSA-N
DG53354	"Ethanone, 1-[2-(acetyloxy)-1,2,3,4-tetrahydro-1,4-diphenyl-1,4-epoxynaphthalen-2-yl]-"	363302	"NSC628121; Ethanone, 1-[2-(acetyloxy)-1,2,3,4-tetrahydro-1,4-diphenyl-1,4-epoxynaphthalen-2-yl]-; CHEMBL1990405; [acetyl(diphenyl)[ ]yl] acetate; NSC-628121; NCI60_009031"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628121	.	.	.	.	398.4	C26H22O4	52.6	691	3.8	30	0	4	5	"InChI=1S/C26H22O4/c1-18(27)25(29-19(2)28)17-24(20-11-5-3-6-12-20)22-15-9-10-16-23(22)26(25,30-24)21-13-7-4-8-14-21/h3-16H,17H2,1-2H3"	CC(=O)C1(CC2(C3=CC=CC=C3C1(O2)C4=CC=CC=C4)C5=CC=CC=C5)OC(=O)C	ADKUELIPIQGUGR-UHFFFAOYSA-N
DG53355	NSC628122	363303	"7,12-(Iminomethano)-7H-benzo[4',5']cyclohepta[1',2':5,6]benzo[1,2-d]-1,3-dioxole-7-carbonitrile, 14-benzoyl-6,12-dihydro-13-methoxy-; NSC628122; CHEMBL1999565; NSC-628122; 7,12-(Iminomethano)-7H-benzo[4',5']cyclohepta[1',2':5,6]benzo[1,2-d]-1,3-dioxole-7-carbonitrile, 14-benzoyl-6,12-dihydro-13-methoxy-; NCI60_009032"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628122	.	.	.	.	424.4	C26H20N2O4	71.8	788	4	32	0	5	2	"InChI=1S/C26H20N2O4/c1-30-25-22-18-9-5-6-10-19(18)26(14-27,28(25)24(29)16-7-3-2-4-8-16)13-17-11-12-20-23(21(17)22)32-15-31-20/h2-12,22,25H,13,15H2,1H3"	COC1C2C3=CC=CC=C3C(N1C(=O)C4=CC=CC=C4)(CC5=C2C6=C(C=C5)OCO6)C#N	JYWSNCCKKCAJKK-UHFFFAOYSA-N
DG53356	NSC628123	363304	"10,5-(Iminomethano)-10H-benzo[4',5']cyclohepta[1',2':4,5]benzo[1,2-d]-1,3-dioxole-10-carbonitrile, 13-benzoyl-5,11-dihydro-14-methoxy-; NSC628123; CHEMBL1994394; NSC-628123; 10,5-(Iminomethano)-10H-benzo[4',5']cyclohepta[1',2':4,5]benzo[1,2-d]-1,3-dioxole-10-carbonitrile, 13-benzoyl-5,11-dihydro-14-methoxy-; NCI60_009033"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628123	.	.	.	.	424.4	C26H20N2O4	71.8	788	4	32	0	5	2	"InChI=1S/C26H20N2O4/c1-30-25-23-18-9-5-6-10-20(18)26(14-27,28(25)24(29)16-7-3-2-4-8-16)13-17-11-21-22(12-19(17)23)32-15-31-21/h2-12,23,25H,13,15H2,1H3"	COC1C2C3=CC=CC=C3C(N1C(=O)C4=CC=CC=C4)(CC5=CC6=C(C=C25)OCO6)C#N	KHDMSASMKBVHGF-UHFFFAOYSA-N
DG53357	"5-(Benzyloxy)-6,7-dimethoxy-1-(3-methoxyphenyl)isoquinoline"	363319	"NSC628139; 5-(Benzyloxy)-6,7-dimethoxy-1-(3-methoxyphenyl)isoquinoline; CHEMBL1983588; NSC-628139; NCI60_009048; 5-benzyloxy-6,7-dimethoxy-1-(3-methoxyphenyl)isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628139	.	.	.	.	401.5	C25H23NO4	49.8	511	5.1	30	0	5	7	"InChI=1S/C25H23NO4/c1-27-19-11-7-10-18(14-19)23-21-15-22(28-2)25(29-3)24(20(21)12-13-26-23)30-16-17-8-5-4-6-9-17/h4-15H,16H2,1-3H3"	COC1=CC=CC(=C1)C2=NC=CC3=C(C(=C(C=C32)OC)OC)OCC4=CC=CC=C4	QJXHEJLNIVHTGG-UHFFFAOYSA-N
DG53358	(2-Phenylquinolin-4-yl) 4-methylbenzenesulfonate	363320	NSC628141; SCHEMBL9386446; CHEMBL1997078; NSC-628141; NCI60_009049	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628141	.	.	.	.	375.4	C22H17NO3S	64.599	573	5.3	27	0	4	4	"InChI=1S/C22H17NO3S/c1-16-11-13-18(14-12-16)27(24,25)26-22-15-21(17-7-3-2-4-8-17)23-20-10-6-5-9-19(20)22/h2-15H,1H3"	CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4	IOCCHCRWGYJWJX-UHFFFAOYSA-N
DG53359	"2,14,19-Triphenyl-2,14,19-triazahexacyclo[9.5.5.01,9.03,8.012,16.017,21]henicosa-3,5,7,9-tetraene-13,15,18,20-tetrone"	363328	"NSC628185; triphenyl[ ]tetrone; CHEMBL1994761; NSC-628185; NCI60_009057; 2,14,19-Triphenyl-2,14,19-triazahexacyclo[9.5.5.0~1,9~.0~3,8~.0~12,16~.0~17,21~]henicosa-3,5,7,9-tetraene-13,15,18,20-tetrone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628185	.	.	.	.	563.6	C36H25N3O4	78	1190	4.1	43	0	5	3	"InChI=1S/C36H25N3O4/c40-32-28-25-20-26-24-18-10-11-19-27(24)39(23-16-8-3-9-17-23)36(26,30(28)34(42)37(32)21-12-4-1-5-13-21)31-29(25)33(41)38(35(31)43)22-14-6-2-7-15-22/h1-20,25,28-31H"	C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5C6C(C42C7C5C(=O)N(C7=O)C8=CC=CC=C8)C(=O)N(C6=O)C9=CC=CC=C9	HDECCIGJLYSZPJ-UHFFFAOYSA-N
DG53360	"1',2'-Dihydrospiro[cyclopentane-1,3'-indole]-2'-one"	363343	"41058-67-7; 1',2'-dihydrospiro[cyclopentane-1,3'-indole]-2'-one; Spiro[cyclopentane-1,3'-indolin]-2'-one; Spiro[cyclopentane-1,3'-[3H]indol]-2'(1'H)-one; spiro[cyclopentane-1,3'-indol]-2'(1'h)-one; NSC628199; spiro[1H-indole-3,1'-cyclopentane]-2-one; Spiro(cyclopentane-1,3'-indoline)-2'-one; spiro[cyclopentane-1,3'-indoline]-2'-one; spiro(cyclopentane-1,3'-indol)-2'(1'H)-one; SCHEMBL1268479; CHEMBL1973827; 1`,2`-DIHYDROSPIRO[CYCLOPENTANE-1,3`-INDOLE]-2`-ONE; ZINC1619821; MFCD11935112; AKOS015948491; MCULE-4584004344; NSC-628199; AS-82873; NCI60_009071; Spiro[indoline-3,1'-cyclopentane]-2-one; EN300-79332; P19133; Spiro[cyclopentane-1,3'-[3H]indol]-2'(1 'H)-one; Spiro[cyclopentane-1.3'-[3H]indol]-2'(1 'H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628199	.	.	.	.	187.24	C12H13NO	29.1	255	2.2	14	1	1	0	"InChI=1S/C12H13NO/c14-11-12(7-3-4-8-12)9-5-1-2-6-10(9)13-11/h1-2,5-6H,3-4,7-8H2,(H,13,14)"	C1CCC2(C1)C3=CC=CC=C3NC2=O	WFPNMCKAQLBEMD-UHFFFAOYSA-N
DG53361	N-(2-dimethylaminoethyloxy)adamantane-1-carboxamide	363358	NSC628241; N-(2-dimethylaminoethyloxy)adamantane-1-carboxamide; N-(2-(Dimethylamino)ethoxy)-1-adamantanecarboxamide; CHEMBL1977422; ZINC5884692; NSC-628241; NCI60_009084	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628241	.	.	.	.	266.38	C15H26N2O2	41.6	313	2.2	19	1	3	5	"InChI=1S/C15H26N2O2/c1-17(2)3-4-19-16-14(18)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,3-10H2,1-2H3,(H,16,18)"	CN(C)CCONC(=O)C12CC3CC(C1)CC(C3)C2	SZFFHWKHOOUBIW-UHFFFAOYSA-N
DG53362	"DL-2-amino-7-[bis(2-chloroethyl) amino]-1,3,4-tetrahydro-2-naphthoic acid hydrochloride"	363388	"NSC628279; CHEMBL537919; NSC-628279; DL-2-amino-7-[bis(2-chloroethyl) amino]-1,3,4-tetrahydro -2-naphthoic acid hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628279	.	.	.	.	367.7	C15H21Cl3N2O2	66.6	364	.	22	3	4	6	"InChI=1S/C15H20Cl2N2O2.ClH/c16-5-7-19(8-6-17)13-2-1-11-3-4-15(18,14(20)21)10-12(11)9-13;/h1-2,9H,3-8,10,18H2,(H,20,21);1H"	C1CC(CC2=C1C=CC(=C2)N(CCCl)CCCl)(C(=O)O)N.Cl	LOAXROWARKRDJB-UHFFFAOYSA-N
DG53363	"2-(1-Benzoyl-2-oxo-2-phenylethyl)-2-hydroxy-1H-indene-1,3(2H)-dione"	363395	"NSC628298; 2-(1-Benzoyl-2-oxo-2-phenylethyl)-2-hydroxy-1H-indene-1,3(2H)-dione; CHEMBL1980927; NSC-628298; NCI60_009109; 2-(1-benzoyl-2-oxo-2-phenyl-ethyl)-2-hydroxy-indane-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628298	.	.	.	.	384.4	C24H16O5	88.5	629	4.1	29	1	5	5	"InChI=1S/C24H16O5/c25-20(15-9-3-1-4-10-15)19(21(26)16-11-5-2-6-12-16)24(29)22(27)17-13-7-8-14-18(17)23(24)28/h1-14,19,29H"	C1=CC=C(C=C1)C(=O)C(C(=O)C2=CC=CC=C2)C3(C(=O)C4=CC=CC=C4C3=O)O	XKDMAXQFOGQBEO-UHFFFAOYSA-N
DG53364	"3,4-Di(1-naphthyl)-3-cyclobutene-1,2-dione"	363398	"NSC628301; NSC-628301; 3,4-Di(1-naphthyl)-3-cyclobutene-1,2-dione; CHEMBL1988893; NCI60_009112; 3,4-bis(1-naphthyl)cyclobut-3-ene-1,2-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628301	.	.	.	.	334.4	C24H14O2	34.1	576	5.3	26	0	2	2	InChI=1S/C24H14O2/c25-23-21(19-13-5-9-15-7-1-3-11-17(15)19)22(24(23)26)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H	C1=CC=C2C(=C1)C=CC=C2C3=C(C(=O)C3=O)C4=CC=CC5=CC=CC=C54	RVVINPXTKHEJOK-UHFFFAOYSA-N
DG53365	NSC628312	363408	"(1,1,1-Trichloro-2-methylpropan-2-yl) 10,11-dimethoxy-6'-oxospiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,3'-cyclohexa-1,4-diene]-5-carboxylate; NSC628312; CHEMBL1979142; NSC-628312; NCI60_009122; (2,2,2-trichloro-1,1-dimethyl-ethyl) dimethoxy-6'-oxo-spiro[[ ]-[ ],3'-cyclohexa-1,4-diene]carboxylate; Spiro[cyclohexa-2,5-diene-1,7'(1'H)-cyclopent[ij]isoquinoline]-1'-carboxylic acid, 2',3',8',8'a-tetrahydro-5',6'-dimethoxy-4-oxo-, 2,2,2-trichloro-1,1-dimethylethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628312	.	.	.	.	500.8	C23H24Cl3NO5	65.099	820	4.9	32	0	5	4	"InChI=1S/C23H24Cl3NO5/c1-21(2,23(24,25)26)32-20(29)27-10-7-13-11-16(30-3)19(31-4)18-17(13)15(27)12-22(18)8-5-14(28)6-9-22/h5-6,8-9,11,15H,7,10,12H2,1-4H3"	CC(C)(C(Cl)(Cl)Cl)OC(=O)N1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)OC)OC	ZJDGLIKUFVJFEM-UHFFFAOYSA-N
DG53366	"(6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate"	363425	"NSC628336; CHEMBL1993016; ZINC5601996; NSC-628336; NCI60_009130; (6-acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate; Acetic acid,10-dihydro-5-methoxy-9,10- dioxo-6-(2-oxopropyl)-1-anthracenyl] ester; Acetic acid,[2-formyl-9,10-dihydro-5-methoxy-9,10-dioxo-6-(2-oxopropyl)-1-anthracenyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628336	.	.	.	.	380.3	C21H16O7	104	684	1.7	28	0	7	6	"InChI=1S/C21H16O7/c1-10(23)8-12-4-6-14-16(20(12)27-3)18(25)15-7-5-13(9-22)21(28-11(2)24)17(15)19(14)26/h4-7,9H,8H2,1-3H3"	CC(=O)CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3OC(=O)C)C=O)OC	CRSVJZFTVSRTRS-UHFFFAOYSA-N
DG53367	"2-Hydroxy-2,3-dihydro-1H,9H-pyrazolo[1,2-a]indazol-9-one"	363510	"NSC628442; 2-Hydroxy-2,3-dihydro-1H,9H-pyrazolo[1,2-a]indazol-9-one; CHEMBL1992453; 2-hydroxy-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one; NSC-628442; NCI60_009164"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628442	.	.	.	.	190.2	C10H10N2O2	43.8	269	0.6	14	1	3	0	"InChI=1S/C10H10N2O2/c13-7-5-11-9-4-2-1-3-8(9)10(14)12(11)6-7/h1-4,7,13H,5-6H2"	C1C(CN2N1C3=CC=CC=C3C2=O)O	KEWOROKNYKKUFU-UHFFFAOYSA-N
DG53368	6-chloro-2-[2-[2-(6-chloro-1H-benzimidazol-2-yl)ethylsulfanyl]ethyl]-1H-benzimidazole	363513	NSC628445; CHEMBL2003117; ZINC12948691; NSC-628445; 6-Chloro-2-(2-((2-(6-chloro-1H-benzimidazol-2-yl)ethyl)thio)ethyl)-1H-benzimidazole; 6-chloro-2-[2-[2-(6-chloro-1H-benzimidazol-2-yl)ethylsulfanyl]ethyl]-1H-benzimidazole; NCI60_009167; Bis(2-(6-chloro-1H-benzimidazol-2-yl)ethyl) sulfide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628445	.	.	.	.	391.3	C18H16Cl2N4S	82.7	405	5.2	25	2	3	6	"InChI=1S/C18H16Cl2N4S/c19-11-1-3-13-15(9-11)23-17(21-13)5-7-25-8-6-18-22-14-4-2-12(20)10-16(14)24-18/h1-4,9-10H,5-8H2,(H,21,23)(H,22,24)"	C1=CC2=C(C=C1Cl)NC(=N2)CCSCCC3=NC4=C(N3)C=C(C=C4)Cl	NFKKHKIKWARUMO-UHFFFAOYSA-N
DG53369	"9-N(N'-bis-chloroethyl-N'-1,2-diamino ethyl) 2-methoxy acridine dihydrochloride"	363534	"NSC628497; CHEMBL542041; NSC-628497; 9-N(N'-bis-chloroethyl-N'-1,2-diamino ethyl) 2-methoxy acridine dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628497	.	.	.	.	428.8	C20H24Cl3N3O	37.4	409	.	27	2	4	9	"InChI=1S/C20H23Cl2N3O.ClH/c1-26-15-6-7-19-17(14-15)20(16-4-2-3-5-18(16)24-19)23-10-13-25(11-8-21)12-9-22;/h2-7,14H,8-13H2,1H3,(H,23,24);1H"	COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCN(CCCl)CCCl.Cl	VZKJZKHVMSROLI-UHFFFAOYSA-N
DG53370	9-[4-[2-Chloroethyl(methyl)amino]butylamino]-2-methoxyacridine	363537	"NSC628498; 9-N(N'-chloroethyl-N'-methyl-1,4-diaminobutyl) 2-methoxy acridine dihydrochloride; CHEMBL2008415; NCI60_009170; 9-[4-[2-Chloroethyl(methyl)amino]butylamino]-2-methoxyacridine; N'-(2-chloroethyl)-N-(2-methoxyacridin-9-yl)-N'-methyl-butane-1,4-diamine; N~1~-(2-Chloroethyl)-N~4~-(2-methoxy-9-acridinyl)-N~1~-methyl-1,4-butanediamine hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628498	.	.	.	.	371.9	C21H26ClN3O	37.4	411	4.8	26	1	4	9	"InChI=1S/C21H26ClN3O/c1-25(14-11-22)13-6-5-12-23-21-17-7-3-4-8-19(17)24-20-10-9-16(26-2)15-18(20)21/h3-4,7-10,15H,5-6,11-14H2,1-2H3,(H,23,24)"	CN(CCCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl	NFHMOPGSWSLEKZ-UHFFFAOYSA-N
DG53371	"1H-Benzo[f]pyrrolo[1,2-a]indole-11-carbonitrile, 2,3,5,10,11,11a-hexahydro-5,10-dioxo-11-(1-oxo-1,3-dithiolan-2-yl)-"	363542	"NSC628507; 1H-Benzo[f]pyrrolo[1,2-a]indole-11-carbonitrile, 2,3,5,10,11,11a-hexahydro-5,10-dioxo-11-(1-oxo-1,3-dithiolan-2-yl)-; CHEMBL2004484; NSC-628507; NCI60_009173; dioxo-(1-oxo-1,3-dithiolan-2-yl)[ ]carbonitrile; 1H-Benzo[f]pyrrolo[1, 2,3,5,10, 11,11a-hexahydro-5,10-dioxo-11-(1-oxo-1,3-dithiolan-2-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628507	.	.	.	.	384.5	C19H16N2O3S2	123	813	1.2	26	0	7	1	"InChI=1S/C19H16N2O3S2/c20-10-19(18-25-8-9-26(18)24)13-6-3-7-21(13)15-14(19)16(22)11-4-1-2-5-12(11)17(15)23/h1-2,4-5,13,18H,3,6-9H2"	C1CC2C(C3=C(N2C1)C(=O)C4=CC=CC=C4C3=O)(C#N)C5SCCS5=O	IPHUNVUCWFGDGB-UHFFFAOYSA-N
DG53372	"1-(4-Chlorophenyl)-2-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole"	363552	"NSC628516; CHEMBL1969177; 1-(4-chlorophenyl)-2-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole; NSC-628516; NCI60_009179; 1-(4-Chlorophenyl)-1,3,4,9-tetrahydro-2H-.beta.-carbolin-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628516	.	.	.	.	298.8	C17H15ClN2O	39.3	372	3.8	21	2	2	1	"InChI=1S/C17H15ClN2O/c18-12-7-5-11(6-8-12)17-16-14(9-10-20(17)21)13-3-1-2-4-15(13)19-16/h1-8,17,19,21H,9-10H2"	C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC=C(C=C4)Cl)O	BNPOWAXLEKJHOE-UHFFFAOYSA-N
DG53373	"5H-Naphtho[1,8-bc]furan-5-one, 3-bromo-2-phenyl-"	363561	"NSC628525; 5H-Naphtho[1,8-bc]furan-5-one, 3-bromo-2-phenyl-; CHEMBL2002207; NSC-628525; NCI60_009186"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628525	.	.	.	.	325.2	C17H9BrO2	30.2	438	4.4	20	0	2	1	InChI=1S/C17H9BrO2/c18-12-9-13(19)11-7-4-8-14-15(11)16(12)17(20-14)10-5-2-1-3-6-10/h1-9H	C1=CC=C(C=C1)C2=C3C(=CC(=O)C4=C3C(=CC=C4)O2)Br	LJELLXTWQHVQOY-UHFFFAOYSA-N
DG53374	"2-Phenyl-5H-naphtho[1,8-bc]furan-5-one"	363563	"NSC628527; 2-Phenyl-5H-naphtho[1,8-bc]furan-5-one; CHEMBL1985217; SCHEMBL11475119; ZINC1620029; AKOS024325561; MCULE-3243646463; NSC-628527; NCI60_009188; 2-PHENYL-NAPHTHO(1,8-BC)FURAN-5-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628527	.	.	.	.	246.26	C17H10O2	30.2	394	4	19	0	2	1	InChI=1S/C17H10O2/c18-14-10-9-13-16-12(14)7-4-8-15(16)19-17(13)11-5-2-1-3-6-11/h1-10H	C1=CC=C(C=C1)C2=C3C=CC(=O)C4=C3C(=CC=C4)O2	OIBPBAHSVWNURP-UHFFFAOYSA-N
DG53375	"1,5-Dioxo-5H-pyrrolo[1,2-a][3,1]benzoxazin-3a(1H)-yl acetate"	363568	"NSC628540; CHEMBL2003451; 1,5-Dioxo-5H-pyrrolo[1,2-a][3,1]benzoxazin-3a(1H)-yl acetate; (1,5-dioxopyrrolo[1,2-a][3,1]benzoxazin-3a-yl) acetate; BDBM50462414; NSC-628540; NCI60_009195"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628540	.	.	.	.	259.209	C13H9NO5	72.9	485	1	19	0	5	2	"InChI=1S/C13H9NO5/c1-8(15)18-13-7-6-11(16)14(13)10-5-3-2-4-9(10)12(17)19-13/h2-7H,1H3"	CC(=O)OC12C=CC(=O)N1C3=CC=CC=C3C(=O)O2	PEBATMLUABVPGO-UHFFFAOYSA-N
DG53376	Triphenyl(8-quinolylsulfanyl)stannane	363590	NSC628586; ANTINEOPLASTIC-628586; triphenyltin quinoline-8-thiolate; 8-((Triphenylstannyl)thio)quinoline; triphenyl(8-quinolylsulfanyl)stannane; ZINC195761894; NSC-628586; NCI60_009228	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628586	.	.	.	.	510.2	C27H21NSSn	38.2	475	.	30	0	2	5	"InChI=1S/C9H7NS.3C6H5.Sn/c11-8-5-1-3-7-4-2-6-10-9(7)8;3*1-2-4-6-5-3-1;/h1-6,11H;3*1-5H;/q;;;;+1/p-1"	C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)SC4=CC=CC5=C4N=CC=C5	QBPAGYNLQBGOOV-UHFFFAOYSA-M
DG53377	"2-(5-Fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-6-methyl-3-oxo-3,6-dihydro-2H-pyran-4-yl benzoate"	363615	"NSC628628; CHEMBL1991222; NSC-628628; 2-(5-Fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-6-methyl-3-oxo-3,6-dihydro-2H-pyran-4-yl benzoate; NCI60_009246; [6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-2-methyl-5-oxo-2H-pyran-4-yl] benzoate; 5-Fluoro-1-(3-O-benzoyl-4, 6-didexy-.beta.-L-glycero-hex-3-enopyranos-2-ulosyl)uracil; 5-Fluoro-1-(3-O-benzoyl-4,6-didexy-.beta.-L-glycero-hex-3-enopyranos-2-ulosyl)uracil"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628628	.	.	.	.	360.29	C17H13FN2O6	102	710	1.5	26	1	7	4	"InChI=1S/C17H13FN2O6/c1-9-7-12(26-16(23)10-5-3-2-4-6-10)13(21)15(25-9)20-8-11(18)14(22)19-17(20)24/h2-9,15H,1H3,(H,19,22,24)"	CC1C=C(C(=O)C(O1)N2C=C(C(=O)NC2=O)F)OC(=O)C3=CC=CC=C3	HTDAJLUMYZCQFP-UHFFFAOYSA-N
DG53378	"2-Benzyl-7-methoxy-1-methyl-8-nitro-1,3,4,9-tetrahydropyrido[3,4-b]indole"	363619	"NSC628648; CHEMBL1985709; 2-benzyl-7-methoxy-1-methyl-8-nitro-1,3,4,9-tetrahydropyrido[3,4-b]indole; NSC-628648; NCI60_009250; 2-Benzyl-8-(hydroxy(oxido)amino)-7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-.beta.-carboline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628648	.	.	.	.	351.4	C20H21N3O3	74.1	505	3.7	26	1	4	3	"InChI=1S/C20H21N3O3/c1-13-18-16(10-11-22(13)12-14-6-4-3-5-7-14)15-8-9-17(26-2)20(23(24)25)19(15)21-18/h3-9,13,21H,10-12H2,1-2H3"	CC1C2=C(CCN1CC3=CC=CC=C3)C4=C(N2)C(=C(C=C4)OC)[N+](=O)[O-]	JGDRHEPJRJEPOY-UHFFFAOYSA-N
DG53379	"7-Methoxy-1-methyl-8-nitro-2-[(4-nitrophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole"	363620	"NSC628649; CHEMBL1972338; NSC-628649; 7-methoxy-1-methyl-8-nitro-2-[(4-nitrophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole; NCI60_009251; 8-(Hydroxy(oxido)amino)-2-(4-(hydroxy(oxido)amino)benzyl)-7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-.beta.-carboline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628649	.	.	.	.	396.4	C20H20N4O5	120	615	3.5	29	1	6	3	"InChI=1S/C20H20N4O5/c1-12-18-16(15-7-8-17(29-2)20(24(27)28)19(15)21-18)9-10-22(12)11-13-3-5-14(6-4-13)23(25)26/h3-8,12,21H,9-11H2,1-2H3"	CC1C2=C(CCN1CC3=CC=C(C=C3)[N+](=O)[O-])C4=C(N2)C(=C(C=C4)OC)[N+](=O)[O-]	FGHOGSVXOHWIFY-UHFFFAOYSA-N
DG53380	NSC628662	363633	"(5S,8aR)-5-(1,3-benzodioxol-5-ylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; NSC628662; NSC-628662; NCI60_009264"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628662	.	.	.	.	519.5	C28H25NO9	114	861	3.9	38	2	10	5	"InChI=1S/C28H25NO9/c1-32-22-5-13(6-23(33-2)27(22)30)24-15-8-20-21(38-12-37-20)9-16(15)26(17-10-34-28(31)25(17)24)29-14-3-4-18-19(7-14)36-11-35-18/h3-9,17,24-26,29-30H,10-12H2,1-2H3/t17 ,24 ,25-,26+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC7=C(C=C6)OCO7	OCUTXKAKMUXIAQ-YVRXRDEISA-N
DG53381	NSC628663	363634	"ethyl 4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate; NSC628663; NSC-628663; NCI60_009265; Benzoic acid,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5- dimethoxyphenyl)-8-oxo-furo[3',4':6,7]naphtho[2,3-d]-1,3- dioxol-5-yl]amino]-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628663	.	.	.	.	547.6	C30H29NO9	122	896	4.3	40	2	10	8	"InChI=1S/C30H29NO9/c1-4-37-29(33)15-5-7-17(8-6-15)31-27-19-12-22-21(39-14-40-22)11-18(19)25(26-20(27)13-38-30(26)34)16-9-23(35-2)28(32)24(10-16)36-3/h5-12,20,25-27,31-32H,4,13-14H2,1-3H3/t20 ,25 ,26-,27+/m0/s1"	CCOC(=O)C1=CC=C(C=C1)N[C@H]2C3COC(=O)[C@@H]3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC	ZNWQWFQNGLVVJN-WXIMRCAWSA-N
DG53382	NSC628664	363635	"(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-morpholin-4-ylanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; NSC628664; NSC-628664; NCI60_009266"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628664	.	.	.	.	560.6	C31H32N2O8	108	897	3.8	41	2	10	6	"InChI=1S/C31H32N2O8/c1-36-25-11-17(12-26(37-2)30(25)34)27-20-13-23-24(41-16-40-23)14-21(20)29(22-15-39-31(35)28(22)27)32-18-3-5-19(6-4-18)33-7-9-38-10-8-33/h3-6,11-14,22,27-29,32,34H,7-10,15-16H2,1-2H3/t22 ,27 ,28-,29+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)N7CCOCC7	SABCZMGALMNHPA-MDGOSCKESA-N
DG53383	NSC628665	363636	"4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzonitrile; NSC628665; NSC-628665; NCI60_009267"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628665	.	.	.	.	500.5	C28H24N2O7	119	871	3.8	37	2	9	5	"InChI=1S/C28H24N2O7/c1-33-22-7-15(8-23(34-2)27(22)31)24-17-9-20-21(37-13-36-20)10-18(17)26(19-12-35-28(32)25(19)24)30-16-5-3-14(11-29)4-6-16/h3-10,19,24-26,30-31H,12-13H2,1-2H3/t19 ,24 ,25-,26+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)C#N	DSVDQMLQXBKSBA-LYJLOTJCSA-N
DG53384	NSC628666	363637	"(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(quinolin-3-ylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; NSC628666; NSC-628666; NCI60_009268"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628666	.	.	.	.	526.5	C30H26N2O7	108	877	4.3	39	2	9	5	"InChI=1S/C30H26N2O7/c1-35-24-8-16(9-25(36-2)29(24)33)26-18-10-22-23(39-14-38-22)11-19(18)28(20-13-37-30(34)27(20)26)32-17-7-15-5-3-4-6-21(15)31-12-17/h3-12,20,26-28,32-33H,13-14H2,1-2H3/t20 ,26 ,27-,28+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC7=CC=CC=C7N=C6	WGVCJBRLEDPWPV-VNAROETBSA-N
DG53385	NSC628667	363638	"(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-methoxyanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; NSC628667; NSC-628667; NCI60_009269"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628667	.	.	.	.	505.5	C28H27NO8	105	799	4	37	2	9	6	"InChI=1S/C28H27NO8/c1-32-16-6-4-5-15(9-16)29-26-18-11-21-20(36-13-37-21)10-17(18)24(25-19(26)12-35-28(25)31)14-7-22(33-2)27(30)23(8-14)34-3/h4-11,19,24-26,29-30H,12-13H2,1-3H3/t19 ,24 ,25-,26+/m0/s1"	COC1=CC=CC(=C1)N[C@H]2C3COC(=O)[C@@H]3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC	KZUPXTWILKSDPH-LYJLOTJCSA-N
DG53386	NSC628668	363639	"ethyl 4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-2-hydroxybenzoate; NSC628668; NSC-628668; NCI60_009270"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628668	.	.	.	.	563.6	C30H29NO10	142	936	4.5	41	3	11	8	"InChI=1S/C30H29NO10/c1-4-38-29(34)16-6-5-15(9-20(16)32)31-27-18-11-22-21(40-13-41-22)10-17(18)25(26-19(27)12-39-30(26)35)14-7-23(36-2)28(33)24(8-14)37-3/h5-11,19,25-27,31-33H,4,12-13H2,1-3H3/t19 ,25 ,26-,27+/m0/s1"	CCOC(=O)C1=C(C=C(C=C1)N[C@H]2C3COC(=O)[C@@H]3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC)O	OMOBADFSMNZPBD-HPMOTZJNSA-N
DG53387	NSC628669	363640	"(5S,8aR)-5-(3-acetylanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; NSC628669; NSC-628669; NCI60_009271"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628669	.	.	.	.	517.5	C29H27NO8	113	871	3.7	38	2	9	6	"InChI=1S/C29H27NO8/c1-14(31)15-5-4-6-17(7-15)30-27-19-11-22-21(37-13-38-22)10-18(19)25(26-20(27)12-36-29(26)33)16-8-23(34-2)28(32)24(9-16)35-3/h4-11,20,25-27,30,32H,12-13H2,1-3H3/t20 ,25 ,26-,27+/m0/s1"	CC(=O)C1=CC(=CC=C1)N[C@H]2C3COC(=O)[C@@H]3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC	UOSWXYRSLPRKBZ-WXIMRCAWSA-N
DG53388	"(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-nitroanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	363641	NSC628670; NSC-628670; NCI60_009272	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628670	.	.	.	.	520.5	C27H24N2O9	141	871	3.9	38	2	10	5	"InChI=1S/C27H24N2O9/c1-34-21-6-13(7-22(35-2)26(21)30)23-16-9-19-20(38-12-37-19)10-17(16)25(18-11-36-27(31)24(18)23)28-14-4-3-5-15(8-14)29(32)33/h3-10,18,23-25,28,30H,11-12H2,1-2H3/t18 ,23 ,24-,25+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC(=CC=C6)[N+](=O)[O-]	OSNQMLDRHAFGFD-PUEOPUMLSA-N
DG53389	NSC628671	363642	"methyl 3-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate; NSC628671; NSC-628671; NCI60_009273"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628671	.	.	.	.	533.5	C29H27NO9	122	888	3.9	39	2	10	7	"InChI=1S/C29H27NO9/c1-34-22-8-15(9-23(35-2)27(22)31)24-17-10-20-21(39-13-38-20)11-18(17)26(19-12-37-29(33)25(19)24)30-16-6-4-5-14(7-16)28(32)36-3/h4-11,19,24-26,30-31H,12-13H2,1-3H3/t19 ,24 ,25-,26+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=CC(=C6)C(=O)OC	SVBKRHKEBFEVRL-LYJLOTJCSA-N
DG53390	NSC628673	363644	"(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-phenoxyanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; NSC628673; NSC-628673; NCI60_009275"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628673	.	.	.	.	567.6	C33H29NO8	105	908	5.6	42	2	9	7	"InChI=1S/C33H29NO8/c1-37-27-12-18(13-28(38-2)32(27)35)29-22-14-25-26(41-17-40-25)15-23(22)31(24-16-39-33(36)30(24)29)34-19-8-10-21(11-9-19)42-20-6-4-3-5-7-20/h3-15,24,29-31,34-35H,16-17H2,1-2H3/t24 ,29 ,30-,31+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)OC7=CC=CC=C7	UAAVRICFSYRAKY-NQSSNSDLSA-N
DG53391	NSC628674	363645	"(5S,8aR)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; NSC628674; NSC-628674; NCI60_009276; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-[(2,3-dihydro-1,4-benzodioxin-6-yl) amino]-5-(4-hydroxy-3,5-dimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628674	.	.	.	.	533.5	C29H27NO9	114	877	3.8	39	2	10	5	"InChI=1S/C29H27NO9/c1-33-23-7-14(8-24(34-2)28(23)31)25-16-10-21-22(39-13-38-21)11-17(16)27(18-12-37-29(32)26(18)25)30-15-3-4-19-20(9-15)36-6-5-35-19/h3-4,7-11,18,25-27,30-31H,5-6,12-13H2,1-2H3/t18 ,25 ,26-,27+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC7=C(C=C6)OCCO7	UJDWLKBEKWSXBS-SCWZWCFPSA-N
DG53392	NSC628675	363646	"(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[3-(hydroxymethyl)anilino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; NSC628675; NSC-628675; NCI60_009277"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628675	.	.	.	.	505.5	C28H27NO8	116	799	3.2	37	3	9	6	"InChI=1S/C28H27NO8/c1-33-22-7-15(8-23(34-2)27(22)31)24-17-9-20-21(37-13-36-20)10-18(17)26(19-12-35-28(32)25(19)24)29-16-5-3-4-14(6-16)11-30/h3-10,19,24-26,29-31H,11-13H2,1-2H3/t19 ,24 ,25-,26+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=CC(=C6)CO	AWOQMBAPRCYFBX-LYJLOTJCSA-N
DG53393	NSC628676	363647	"(5S,8aR)-5-(4-aminoanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;hydrochloride; NSC628676; NSC-628676; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[(4-aminophenyl)amino]-5,8,8a,9-tetrahydro-5-(4- hydroxy-3,5-dimethoxyphenyl)-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628676	.	.	.	.	527	C27H27ClN2O7	122	778	.	37	4	9	5	"InChI=1S/C27H26N2O7.ClH/c1-32-21-7-13(8-22(33-2)26(21)30)23-16-9-19-20(36-12-35-19)10-17(16)25(18-11-34-27(31)24(18)23)29-15-5-3-14(28)4-6-15;/h3-10,18,23-25,29-30H,11-12,28H2,1-2H3;1H/t18 ,23 ,24-,25+;/m0./s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)N.Cl	UCWYAMAHWNCEOU-FEKGNFRDSA-N
DG53394	NSC628677	363649	"(5S,8aR)-5-(3,4-dimethoxyanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; NSC628677; NSC-628677; NCI60_009279"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628677	.	.	.	.	535.5	C29H29NO9	114	847	4	39	2	10	7	"InChI=1S/C29H29NO9/c1-33-19-6-5-15(9-20(19)34-2)30-27-17-11-22-21(38-13-39-22)10-16(17)25(26-18(27)12-37-29(26)32)14-7-23(35-3)28(31)24(8-14)36-4/h5-11,18,25-27,30-31H,12-13H2,1-4H3/t18 ,25 ,26-,27+/m0/s1"	COC1=C(C=C(C=C1)N[C@H]2C3COC(=O)[C@@H]3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC)OC	BXSBVTBXQRANDX-SCWZWCFPSA-N
DG53395	NSC628678	363650	"(5S,8aR)-5-(3-hydroxyanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; NSC628678; NSC-628678; NCI60_009280; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9- [(3-hydroxyphenyl)amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628678	.	.	.	.	491.5	C27H25NO8	116	784	3.7	36	3	9	5	"InChI=1S/C27H25NO8/c1-32-21-6-13(7-22(33-2)26(21)30)23-16-9-19-20(36-12-35-19)10-17(16)25(18-11-34-27(31)24(18)23)28-14-4-3-5-15(29)8-14/h3-10,18,23-25,28-30H,11-12H2,1-2H3/t18 ,23 ,24-,25+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC(=CC=C6)O	YBIPRFWIJQFYKB-PUEOPUMLSA-N
DG53396	"(5S,8aR)-5-anilino-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	363652	NSC628680; NSC-628680; NCI60_009282	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628680	.	.	.	.	475.5	C27H25NO7	95.5	746	4	35	2	8	5	"InChI=1S/C27H25NO7/c1-31-21-8-14(9-22(32-2)26(21)29)23-16-10-19-20(35-13-34-19)11-17(16)25(18-12-33-27(30)24(18)23)28-15-6-4-3-5-7-15/h3-11,18,23-25,28-29H,12-13H2,1-2H3/t18 ,23 ,24-,25+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=CC=C6	HYAITYUXKHHWLQ-PUEOPUMLSA-N
DG53397	NSC628681	363653	"(5S,8aR)-5-(4-fluorophenoxy)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; NSC628681; NSC-628681; NCI60_009283"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628681	.	.	.	.	494.5	C27H23FO8	92.7	776	4.1	36	1	9	5	"InChI=1S/C27H23FO8/c1-31-21-7-13(8-22(32-2)25(21)29)23-16-9-19-20(35-12-34-19)10-17(16)26(18-11-33-27(30)24(18)23)36-15-5-3-14(28)4-6-15/h3-10,18,23-24,26,29H,11-12H2,1-2H3/t18 ,23 ,24-,26+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)OC6=CC=C(C=C6)F	UMMMPHSPVYALOO-MRIXDANNSA-N
DG53398	"2-Benzyl-7,7-dimethoxy-5,6-bis(phenylsulfonyl)-2-azabicyclo[2.2.2]octan-3-one"	363683	"NSC628755; CHEMBL1972505; NSC-628755; 2-Benzyl-7,7-dimethoxy-5,6-bis(phenylsulfonyl)-2-azabicyclo[2.2.2]octan-3-one; 5,6-bis(benzenesulfonyl)-3-benzyl-8,8-dimethoxy-3-azabicyclo[2.2.2]octan-2-one; NCI60_009317"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628755	.	.	.	.	555.7	C28H29NO7S2	124	1040	2.8	38	0	7	8	"InChI=1S/C28H29NO7S2/c1-35-28(36-2)18-23-24(37(31,32)21-14-8-4-9-15-21)25(38(33,34)22-16-10-5-11-17-22)26(28)29(27(23)30)19-20-12-6-3-7-13-20/h3-17,23-26H,18-19H2,1-2H3"	COC1(CC2C(C(C1N(C2=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5)OC	MAUOGJCYMNQDCN-UHFFFAOYSA-N
DG53399	"2-Benzyl-7,8-bis(phenylsulfonyl)-2-azabicyclo[2.2.2]octane-3,6-dione"	363684	"NSC628756; 2-Benzyl-7,8-bis(phenylsulfonyl)-2-azabicyclo[2.2.2]octane-3,6-dione; CHEMBL2003025; 5,6-bis(benzenesulfonyl)-3-benzyl-3-azabicyclo[2.2.2]octane-2,8-dione; NSC-628756; NCI60_009318"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628756	.	.	.	.	509.6	C26H23NO6S2	122	1010	2.5	35	0	6	6	"InChI=1S/C26H23NO6S2/c28-22-16-21-24(34(30,31)19-12-6-2-7-13-19)25(35(32,33)20-14-8-3-9-15-20)23(22)27(26(21)29)17-18-10-4-1-5-11-18/h1-15,21,23-25H,16-17H2"	C1C2C(C(C(C1=O)N(C2=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5	UOFCHJLYOPATKG-UHFFFAOYSA-N
DG53400	"1,1-Bis(4-methoxyphenyl)-2-nitroethene"	363696	"NSC628811; 1,1-Bis(4-methoxyphenyl)-2-nitroethene; CHEMBL1982525; DTXSID60327068; NSC-628811; 36697-31-1; NCI60_009326; (2,2-Bis(4-methoxyphenyl)vinyl)(hydroxy)azane oxide; 1-methoxy-4-[1-(4-methoxyphenyl)-2-nitro-vinyl]benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628811	.	.	.	.	285.29	C16H15NO4	64.3	335	4	21	0	4	4	"InChI=1S/C16H15NO4/c1-20-14-7-3-12(4-8-14)16(11-17(18)19)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3"	COC1=CC=C(C=C1)C(=C[N+](=O)[O-])C2=CC=C(C=C2)OC	KFFANRUOKOLBPN-UHFFFAOYSA-N
DG53401	AHS-3/51 Azomycin acyclonucleoside	363705	AHS-3/51 Azomycin acyclonucleoside; NSC628865; 2-[(2-nitroimidazol-1-yl)methoxy]ethanol; CHEMBL2003435; SCHEMBL10803097; DTXSID30327070; NSC-628865; 88135-12-0; NCI60_009334; 2-((2-(Hydroxy(oxido)amino)-1H-imidazol-1-yl)methoxy)ethanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628865	.	.	.	.	187.15	C6H9N3O4	93.1	172	-0.6	13	1	5	4	"InChI=1S/C6H9N3O4/c10-3-4-13-5-8-2-1-7-6(8)9(11)12/h1-2,10H,3-5H2"	C1=CN(C(=N1)[N+](=O)[O-])COCCO	MXOGOOYEWPLTOB-UHFFFAOYSA-N
DG53402	"3-methyl-6,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-2,4,5(3H)-trione"	363716	"NSC628876; 3-methyl-6,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-2,4,5(3H)-trione; CHEMBL1993825; SCHEMBL19410856; ZINC1620148; NSC-628876; NCI60_009345; 3-methyl-6,7-dihydro-1H-pyrrolo[4,5-e]pyrimidine-2,4,5-trione; 3-Methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4,5(1H,3H,6H)-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628876	.	.	.	.	181.15	C7H7N3O3	78.5	358	-0.8	13	2	4	0	"InChI=1S/C7H7N3O3/c1-10-6(12)4-3(11)2-8-5(4)9-7(10)13/h8H,2H2,1H3,(H,9,13)"	CN1C(=O)C2=C(NCC2=O)NC1=O	LEZQKCLIZROGNX-UHFFFAOYSA-N
DG53403	"[3,4,5-Triacetyloxy-6-[(5-acetyloxy-2-methoxy-6-methyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate"	363718	NSC628878; CHEMBL1972335; NSC-628878; NCI60_009347	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628878	.	.	.	.	595.5	C25H29N3O14	214	1130	0.6	42	1	17	14	"InChI=1S/C25H29N3O14/c1-9-17(37-11(3)30)16-21(27-25(35-7)28-22(16)42-24(9)34)26-23-20(40-14(6)33)19(39-13(5)32)18(38-12(4)31)15(41-23)8-36-10(2)29/h15,18-20,23H,8H2,1-7H3,(H,26,27,28)"	CC1=C(C2=C(N=C(N=C2OC1=O)OC)NC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	OQWANWOIVCJPEJ-UHFFFAOYSA-N
DG53404	"2-(4-(1,3-Benzodithiol-2-ylidene)-2,5-cyclohexadien-1-ylidene)-1,3-benzodithiole 1-oxide"	363740	"NSC628931; 2-(4-(1,3-Benzodithiol-2-ylidene)-2,5-cyclohexadien-1-ylidene)-1,3-benzodithiole 1-oxide; CHEMBL1970979; NSC-628931; NCI60_009374; 2-[4-(1,3-benzodithiol-2-ylidene)cyclohexa-2,5-dien-1-ylidene]-1$l^{4},3-benzodithiole 1-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628931	.	.	.	.	396.6	C20H12OS4	112	683	5.2	25	0	5	0	InChI=1S/C20H12OS4/c21-25-18-8-4-3-7-17(18)24-20(25)14-11-9-13(10-12-14)19-22-15-5-1-2-6-16(15)23-19/h1-12H	C1=CC=C2C(=C1)SC(=C3C=CC(=C4SC5=CC=CC=C5S4=O)C=C3)S2	ADPFMKNCLZCAMG-UHFFFAOYSA-N
DG53405	"5,6-Dimethoxy-3-phenyl-2,1-benzisoxazole"	363744	"NSC628935; 5,6-Dimethoxy-3-phenyl-2,1-benzisoxazole; 5,6-dimethoxy-3-phenyl-2,1-benzoxazole; CHEMBL2006377; NSC-628935; NCI60_009378"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628935	.	.	.	.	255.27	C15H13NO3	44.5	293	3.3	19	0	4	3	"InChI=1S/C15H13NO3/c1-17-13-8-11-12(9-14(13)18-2)16-19-15(11)10-6-4-3-5-7-10/h3-9H,1-2H3"	COC1=CC2=C(ON=C2C=C1OC)C3=CC=CC=C3	CEEUXQDMFJWGAB-UHFFFAOYSA-N
DG53406	"Anthra[1,2-c]isoxazole-6,11-dione"	363747	"Anthra[1,2-c]isoxazole-6,11-dione; NSC628939; naphtho[2,3-g][2,1]benzoxazole-6,11-dione; CHEMBL1975195; NSC-628939; NCI60_009382; A823218"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628939	.	.	.	.	249.22	C15H7NO3	60.2	422	2.7	19	0	4	0	InChI=1S/C15H7NO3/c17-14-9-3-1-2-4-10(9)15(18)12-11(14)6-5-8-7-19-16-13(8)12/h1-7H	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=NOC=C4C=C3	IRIKYSAFFJRSMS-UHFFFAOYSA-N
DG53407	"1-Amino-2,3-dimethylanthracene-9,10-dione"	363753	"1-amino-2,3-dimethylanthracene-9,10-dione; NSC628945; 1-amino-2,3-dimethyl-9,10-anthraquinone; 3225-89-6; CHEMBL2002749; SCHEMBL17209514; 1-Amino-2,3-dimethylanthraquinone; ZINC4016080; STK367370; AKOS005443966; MCULE-5135491834; NSC-628945; NCI60_009388; 1-Amino-2,3-dimethylanthra-9,10-quinone; 1-amino-2,3-dimethyl-anthracene-9,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628945	.	.	.	.	251.28	C16H13NO2	60.2	406	3.5	19	1	3	0	"InChI=1S/C16H13NO2/c1-8-7-12-13(14(17)9(8)2)16(19)11-6-4-3-5-10(11)15(12)18/h3-7H,17H2,1-2H3"	CC1=CC2=C(C(=C1C)N)C(=O)C3=CC=CC=C3C2=O	QNLBFFTVWDTZNQ-UHFFFAOYSA-N
DG53408	"5,6-Dimethoxy-9-(methylthio)furo[3',4':4,5]cyclopenta[1,2,3-ij]isoquinoline"	363754	"NSC628946; 5,6-Dimethoxy-9-(methylthio)furo[3',4':4,5]cyclopenta[1,2,3-ij]isoquinoline; dimethoxy(methylsulfanyl)[ ]; CHEMBL1993226; NSC-628946; NCI60_009389"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628946	.	.	.	.	299.3	C16H13NO3S	69.8	396	3.3	21	0	5	3	"InChI=1S/C16H13NO3S/c1-18-10-6-8-4-5-17-14-11(8)12(15(10)19-2)9-7-20-16(21-3)13(9)14/h4-7H,1-3H3"	COC1=C(C2=C3C(=C1)C=CN=C3C4=C(OC=C24)SC)OC	KEWOBOAPSKTWLC-UHFFFAOYSA-N
DG53409	"2-Cyclohepta[b]pyrrol-2-yl-5-methyl-1,2-dihydro-3H-pyrazol-3-one"	363757	"NSC628949; 2-Cyclohepta[b]pyrrol-2-yl-5-methyl-1,2-dihydro-3H-pyrazol-3-one; 2-cyclohepta[b]pyrrol-2-yl-5-methyl-1H-pyrazol-3-one; CHEMBL1969775; ZINC1620176; NSC-628949; NCI60_009392; 2-Cyclohepta[b]pyrrol-2-yl-5-methyl-1,2-dihydro-pyrazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628949	.	.	.	.	225.25	C13H11N3O	45.2	353	2.1	17	1	3	1	"InChI=1S/C13H11N3O/c1-9-7-13(17)16(15-9)12-8-10-5-3-2-4-6-11(10)14-12/h2-8,15H,1H3"	CC1=CC(=O)N(N1)C2=CC3=CC=CC=CC3=N2	OVAFYYYFCUVKGC-UHFFFAOYSA-N
DG53410	"Androst-1-en-3-one, (5-beta, 17-beta)"	363782	"NSC628995; CHEMBL1992381; NSC-628995; NCI60_009408; Androst-1-en-3-one, (5-beta, 17-beta)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628995	.	.	.	.	344.5	C22H32O3	43.4	637	4.9	25	0	3	2	"InChI=1S/C22H32O3/c1-14(23)25-19-6-5-17-16-8-10-20(2)13-15(24)7-12-22(20,4)18(16)9-11-21(17,19)3/h7,12,16-19H,5-6,8-11,13H2,1-4H3/t16-,17 ,18 ,19-,20+,21-,22+/m0/s1"	CC(=O)O[C@H]1CCC2[C@@]1(CCC3[C@H]2CC[C@]4([C@@]3(C=CC(=O)C4)C)C)C	GXMMKARTZXYAEA-YFPRSNTKSA-N
DG53411	CID 363792	363792	"NSC629006; CHEMBL1997874; (methyldispiro[[ ]]yl) benzoate; NSC-629006; NCI60_009416; Dispiro[1,3-dioxolane-2,1'-[1H]indene-5'(6'H),2''-[1,3]dioxolan]-4'-ol, 2',3',7',7'a-tetrahydro-7'a-methyl-, benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629006	.	.	.	.	372.4	C21H24O6	63.2	637	1.9	27	0	6	3	"InChI=1S/C21H24O6/c1-19-9-10-20(23-11-12-24-20)17(27-18(22)15-5-3-2-4-6-15)16(19)7-8-21(19)25-13-14-26-21/h2-6H,7-14H2,1H3"	CC12CCC3(C(=C1CCC24OCCO4)OC(=O)C5=CC=CC=C5)OCCO3	KUDQYNTZJCVUEW-UHFFFAOYSA-N
DG53412	"2-Methyl-3-(4-bromophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one"	363797	"NSC629011; CHEMBL1994010; NSC-629011; NCI60_009419; 2-Methyl-3-(4-bromophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629011	.	.	.	.	382.3	C19H16BrN3O	56.1	550	4	24	1	4	2	"InChI=1S/C19H16BrN3O/c1-23-17(13-7-9-15(20)10-8-13)11-18(24)16(12-21)19(22-23)14-5-3-2-4-6-14/h2-10,17,22H,11H2,1H3"	CN1C(CC(=O)C(=C(N1)C2=CC=CC=C2)C#N)C3=CC=C(C=C3)Br	GTRRWYMZCUABKR-UHFFFAOYSA-N
DG53413	"3-(4-Chlorophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one"	363798	"NSC629012; CHEMBL1997107; NSC-629012; NCI60_009420; 3-(4-Chlorophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629012	.	.	.	.	323.8	C18H14ClN3O	64.9	522	3.5	23	2	4	2	"InChI=1S/C18H14ClN3O/c19-14-8-6-12(7-9-14)16-10-17(23)15(11-20)18(22-21-16)13-4-2-1-3-5-13/h1-9,16,21-22H,10H2"	C1C(NNC(=C(C1=O)C#N)C2=CC=CC=C2)C3=CC=C(C=C3)Cl	KSNQKILBMGAVMP-UHFFFAOYSA-N
DG53414	"2-Methyl-3-(4-dimethylaminophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one"	363802	"NSC629016; CHEMBL1967063; NSC-629016; NCI60_009424; 2-Methyl-3-(4-dimethylaminophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629016	.	.	.	.	346.4	C21H22N4O	59.4	588	3.4	26	1	5	3	"InChI=1S/C21H22N4O/c1-24(2)17-11-9-15(10-12-17)19-13-20(26)18(14-22)21(23-25(19)3)16-7-5-4-6-8-16/h4-12,19,23H,13H2,1-3H3"	CN1C(CC(=O)C(=C(N1)C2=CC=CC=C2)C#N)C3=CC=C(C=C3)N(C)C	JHTSKPQOJQDZPZ-UHFFFAOYSA-N
DG53415	"2-Thiophenecarboxaldehyde, 5,5'-(2,5-furandiyl)bis-"	363820	"NSC629035; 2-Thiophenecarboxaldehyde, 5,5'-(2,5-furandiyl)bis-; CHEMBL1976615; ZINC335955; NSC-629035; NCI60_009438; 2-Thiophenecarboxaldehyde,5'-(2,5-furandiyl)bis-; 5,5'-(Furan-2,5-diyl)bis(thiophene-2-carbaldehyde); 5-[5-(5-formyl-2-thienyl)-2-furyl]thiophene-2-carbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629035	.	.	.	.	288.3	C14H8O3S2	104	318	3.3	19	0	5	4	InChI=1S/C14H8O3S2/c15-7-9-1-5-13(18-9)11-3-4-12(17-11)14-6-2-10(8-16)19-14/h1-8H	C1=C(SC(=C1)C2=CC=C(O2)C3=CC=C(S3)C=O)C=O	OFKNDOCRYWMQIK-UHFFFAOYSA-N
DG53416	"[1,3]Dithiolo[4,5-d][1,3]dithiole-2,5-dithione"	363823	"NSC629039; [1,3]Dithiolo[4,5-d][1,3]dithiole-2,5-dithione; CHEMBL1964781; NSC-629039; NCI60_009440; 1,3,4,6-Tetrathiapentalene-2,5-dithione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629039	.	.	.	.	240.4	C4S6	165	205	3.9	10	0	6	0	InChI=1S/C4S6/c5-3-7-1-2(9-3)10-4(6)8-1	C12=C(SC(=S)S1)SC(=S)S2	RWDHIJIIQNLPPG-UHFFFAOYSA-N
DG53417	"Ethyl 2,3,4,5-tetraphenyl-2,4-cyclopentadiene-1-carboxylate"	363825	"NSC629041; Ethyl 2,3,4,5-tetraphenyl-2,4-cyclopentadiene-1-carboxylate; CHEMBL2003820; ethyl 2,3,4,5-tetraphenylcyclopenta-2,4-diene-1-carboxylate; NSC-629041; NCI60_009442"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629041	.	.	.	.	442.5	C32H26O2	26.3	694	6.5	34	0	2	7	"InChI=1S/C32H26O2/c1-2-34-32(33)31-29(25-19-11-5-12-20-25)27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)30(31)26-21-13-6-14-22-26/h3-22,31H,2H2,1H3"	CCOC(=O)C1C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5	JNDCAELWRTYTCS-UHFFFAOYSA-N
DG53418	"7-benzyl-3,4-dimethyl-3H-[1,4]diazepino[6,5-c]quinoline-2,5-dione"	363839	"NSC629105; CHEMBL1965504; 7-benzyl-3,4-dimethyl-3H-[1,4]diazepino[6,5-c]quinoline-2,5-dione; NSC-629105; NCI60_009450; 7-Benzyl-3,4-dimethyk-2H-1,4-diazepino[6,5-c]quinoline-2,5(1H)-dione; 7-Benzyl-3,4-dihydro-3,4-dimethyl-2H-1,4-diazepino[6,5-c]quinoline-2,5(1H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629105	.	.	.	.	345.4	C21H19N3O2	53	648	2.9	26	0	3	2	"InChI=1S/C21H19N3O2/c1-14-20(25)22-19-16-10-6-7-11-18(16)24(12-15-8-4-3-5-9-15)13-17(19)21(26)23(14)2/h3-11,13-14H,12H2,1-2H3"	CC1C(=O)N=C2C3=CC=CC=C3N(C=C2C(=O)N1C)CC4=CC=CC=C4	XTUHZAUWTILMIV-UHFFFAOYSA-N
DG53419	"2,7-Dicyanoxanthone"	363841	"2,7-Dicyanoxanthone; NSC629107; 9-oxoxanthene-2,7-dicarbonitrile; CHEMBL2004969; SCHEMBL11340455; NSC-629107; NCI60_009452"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629107	.	.	.	.	246.22	C15H6N2O2	73.9	441	3	19	0	4	0	InChI=1S/C15H6N2O2/c16-7-9-1-3-13-11(5-9)15(18)12-6-10(8-17)2-4-14(12)19-13/h1-6H	C1=CC2=C(C=C1C#N)C(=O)C3=C(O2)C=CC(=C3)C#N	CCNZAMXUHSZNLJ-UHFFFAOYSA-N
DG53420	3-(1-Adamantylamino)-1-phenylpropane	363844	NSC629109; 3-(1-Adamantylamino)-1-phenylpropane; 3-(1-Adamantylamino)-1-phenyl-1-propanone; SCHEMBL1937667; CHEMBL1974121; NSC-629109; NCI60_009454; 3-(1-adamantylamino)-1-phenyl-propan-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629109	.	.	.	.	283.4	C19H25NO	29.1	355	4.3	21	1	2	5	"InChI=1S/C19H25NO/c21-18(17-4-2-1-3-5-17)6-7-20-19-11-14-8-15(12-19)10-16(9-14)13-19/h1-5,14-16,20H,6-13H2"	C1C2CC3CC1CC(C2)(C3)NCCC(=O)C4=CC=CC=C4	UHONZWXJELFMEX-UHFFFAOYSA-N
DG53421	"14,19-Dibenzyl-2-phenyl-2,14,19-triazahexacyclo[9.5.5.01,9.03,8.012,16.017,21]henicosa-3,5,7,9-tetraene-13,15,18,20-tetrone"	363856	NSC629121; dibenzyl(phenyl)[ ]tetrone; CHEMBL1997385; NSC-629121; NCI60_009457	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629121	.	.	.	.	591.7	C38H29N3O4	78	1230	3.9	45	0	5	5	"InChI=1S/C38H29N3O4/c42-34-30-27-20-28-26-18-10-11-19-29(26)41(25-16-8-3-9-17-25)38(28,32(30)36(44)39(34)21-23-12-4-1-5-13-23)33-31(27)35(43)40(37(33)45)22-24-14-6-2-7-15-24/h1-20,27,30-33H,21-22H2"	C1=CC=C(C=C1)CN2C(=O)C3C4C=C5C6=CC=CC=C6N(C5(C3C2=O)C7C4C(=O)N(C7=O)CC8=CC=CC=C8)C9=CC=CC=C9	XAXWIUWDOCTBFG-UHFFFAOYSA-N
DG53422	"2-Acetyl-14,19-diphenyl-2,14,19-triazahexacyclo[9.5.5.01,9.03,8.012,16.017,21]henicosa-3,5,7,9-tetraene-13,15,18,20-tetrone"	363857	"NSC629122; acetyl(diphenyl)[ ]tetrone; CHEMBL1967104; NSC-629122; NCI60_009458; 2-Acetyl-14,19-diphenyl-2,14,19-triazahexacyclo[9.5.5.0~1,9~.0~3,8~.0~12,16~.0~17,21~]henicosa-3,5,7,9-tetraene-13,15,18,20-tetrone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629122	.	.	.	.	529.5	C32H23N3O5	95.1	1170	1.7	40	0	5	2	"InChI=1S/C32H23N3O5/c1-17(36)35-23-15-9-8-14-20(23)22-16-21-24-26(30(39)33(28(24)37)18-10-4-2-5-11-18)32(22,35)27-25(21)29(38)34(31(27)40)19-12-6-3-7-13-19/h2-16,21,24-27H,1H3"	CC(=O)N1C2=CC=CC=C2C3=CC4C5C(C31C6C4C(=O)N(C6=O)C7=CC=CC=C7)C(=O)N(C5=O)C8=CC=CC=C8	BATGYPOYDXEYHJ-UHFFFAOYSA-N
DG53423	14-Deoxy-12-hydroxyandrographolide	363866	"NSC629155; 14-deoxy-12-hydroxyandrographolide; CHEMBL1998842; NSC-629155; NCI60_009467; 3-(1-Hydroxy-2-(6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl)ethyl)-2(5H)-furanone; 4-[1-hydroxy-2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethyl]-2H-furan-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629155	.	.	.	.	350.4	C20H30O5	87	597	2.7	25	3	5	4	"InChI=1S/C20H30O5/c1-12-4-5-16-19(2,8-6-17(23)20(16,3)11-21)14(12)10-15(22)13-7-9-25-18(13)24/h7,14-17,21-23H,1,4-6,8-11H2,2-3H3"	CC12CCC(C(C1CCC(=C)C2CC(C3=CCOC3=O)O)(C)CO)O	KHQNSSJNIXVKMK-UHFFFAOYSA-N
DG53424	"N',N'-bis(2-chloroethyl)-N-(2-methoxyacridin-9-yl)hexane-1,6-diamine"	363888	"NSC629266; Neuro_000273; CHEMBL1195145; SCHEMBL17423318; N',N'-bis(2-chloroethyl)-N-(2-methoxyacridin-9-yl)hexane-1,6-diamine; 9-N-(N'-Bis-chloroethyl-N-1,6-diaminohexyl)-2- methoxyacridine, dihydrochloride; NCI60_009488; N-[6-[Bis(2-chloroethyl)amino]hexyl]-2-methoxy-9-acridinamine; N~1~,N~1~-Bis(2-chloroethyl)-N~6~-(2-methoxy-9-acridinyl)-1,6-hexanediamine hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629266	.	.	.	.	448.4	C24H31Cl2N3O	37.4	464	6.1	30	1	4	13	"InChI=1S/C24H31Cl2N3O/c1-30-19-10-11-23-21(18-19)24(20-8-4-5-9-22(20)28-23)27-14-6-2-3-7-15-29(16-12-25)17-13-26/h4-5,8-11,18H,2-3,6-7,12-17H2,1H3,(H,27,28)"	COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCCCCCN(CCCl)CCCl	LUJRWIHIVBKTRQ-UHFFFAOYSA-N
DG53425	3-[(3-Fluorophenyl)carbamoylsulfanyl]propanoic acid	363902	NSC629290; 3-[(3-fluorophenyl)carbamoylsulfanyl]propanoic acid; {3-[N-(3-Fluorophenylthiocarbamoyl)]-propanoic} acid; CHEMBL1994857; NSC-629290; NCI60_009496; 3-(((3-Fluoroanilino)carbonyl)thio)propanoic acid; 3-[N-(3-Fluorophenylthiocarbamoyl)]-propanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629290	.	.	.	.	243.26	C10H10FNO3S	91.7	262	1.6	16	2	5	5	"InChI=1S/C10H10FNO3S/c11-7-2-1-3-8(6-7)12-10(15)16-5-4-9(13)14/h1-3,6H,4-5H2,(H,12,15)(H,13,14)"	C1=CC(=CC(=C1)F)NC(=O)SCCC(=O)O	XWQMOFPAJHEDKR-UHFFFAOYSA-N
DG53426	3-[(4-Ethoxycarbonylphenyl)carbamoylsulfanyl]propanoic acid	363904	NSC629292; CHEMBL1974790; 3-[(4-ethoxycarbonylphenyl)carbamoylsulfanyl]propanoic acid; {3-[N-(4-Ethylcarboxyphenylthiocarbamoyl)]-propanoic} acid; NSC-629292; NCI60_009498; 3-[N-(4-Ethylcarboxyphenylthiocarbamoyl)]-propanoic acid; 3-(((4-(Ethoxycarbonyl)anilino)carbonyl)thio)propanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629292	.	.	.	.	297.33	C13H15NO5S	118	353	1.8	20	2	6	8	"InChI=1S/C13H15NO5S/c1-2-19-12(17)9-3-5-10(6-4-9)14-13(18)20-8-7-11(15)16/h3-6H,2,7-8H2,1H3,(H,14,18)(H,15,16)"	CCOC(=O)C1=CC=C(C=C1)NC(=O)SCCC(=O)O	OGOHCOQFGDXLKD-UHFFFAOYSA-N
DG53427	3-[[4-(p-Tolylsulfonyl)phenyl]carbamoylsulfanyl]propanoic acid	363905	NSC629293; CHEMBL1976534; {3-(N-[Sulfon(4-methylphenyl)thiocarbamoyl])-propanoic} acid; NSC-629293; NCI60_009499; 3-(N-[Sulfon(4-methylphenyl)thiocarbamoyl])-propanoic acid; 3-[[4-(p-tolylsulfonyl)phenyl]carbamoylsulfanyl]propanoic acid; 3-(((4-((4-Methylphenyl)sulfonyl)anilino)carbonyl)thio)propanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629293	.	.	.	.	379.5	C17H17NO5S2	134	556	2.7	25	2	6	7	"InChI=1S/C17H17NO5S2/c1-12-2-6-14(7-3-12)25(22,23)15-8-4-13(5-9-15)18-17(21)24-11-10-16(19)20/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20)"	CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)SCCC(=O)O	PBFZASHTALNTDQ-UHFFFAOYSA-N
DG53428	2-[N-(4-Phenylazophenylthiocarbamoyl)]-benzoic acid	363907	NSC629295; {2-[N-(4-Phenylazophenylthiocarbamoyl)]-benzoic} acid; CHEMBL1983997; NSC-629295; NCI60_009501; 2-[N-(4-Phenylazophenylthiocarbamoyl)]-benzoic acid; 2-(((4-(Phenyldiazenyl)anilino)carbonyl)thio)benzoic acid; 2-[[4-[(E)-phenylazo]phenyl]carbamoylsulfanyl]benzoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629295	.	.	.	.	377.4	C20H15N3O3S	116	529	4.9	27	2	6	6	"InChI=1S/C20H15N3O3S/c24-19(25)17-8-4-5-9-18(17)27-20(26)21-14-10-12-16(13-11-14)23-22-15-6-2-1-3-7-15/h1-13H,(H,21,26)(H,24,25)"	C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)SC3=CC=CC=C3C(=O)O	SGEMJGRKIQHCTC-UHFFFAOYSA-N
DG53429	Methyl 3-[(2-chlorophenyl)carbamoylsulfanyl]propanoate	363911	NSC629300; methyl 3-[(2-chlorophenyl)carbamoylsulfanyl]propanoate; CHEMBL2002900; Methyl {3-[N-(2-Chlorophenylthiocarbamoyl)]-propanoate}; NSC-629300; NCI60_009505; Methyl 3-(((2-chloroanilino)carbonyl)thio)propanoate; Methyl 3-[N-(2-Chlorophenylthiocarbamoyl)]-propanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629300	.	.	.	.	273.74	C11H12ClNO3S	80.7	275	2.5	17	1	4	6	"InChI=1S/C11H12ClNO3S/c1-16-10(14)6-7-17-11(15)13-9-5-3-2-4-8(9)12/h2-5H,6-7H2,1H3,(H,13,15)"	COC(=O)CCSC(=O)NC1=CC=CC=C1Cl	YZJOSJWDPRKCOF-UHFFFAOYSA-N
DG53430	"3,6-Dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile"	363912	"NSC629301; 123958-41-8; 3,6-dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile; 3,6-dihydro-3,6-ethanocyclohepta[cd][1]benzofuran-10,10,11,11-tetracarbonitrile; CHEMBL1971429; DTXSID70924648; NSC 629301; NSC-629301; NCI60_009506; Tetracyanoethylene-Cyclohepta[cd]benzofuran Diels Alder Adduct; 6,9-Dihydro-6,9-ethano-2-oxabenzo[cd]azulene-10,10,11,11-tetracarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629301	.	.	.	.	296.3	C18H8N4O	108	758	1.8	23	0	5	0	"InChI=1S/C18H8N4O/c19-7-17(8-20)13-4-5-14(18(17,9-21)10-22)12-6-23-15-3-1-2-11(13)16(12)15/h1-6,13-14H"	C1=CC2=C3C(=C1)OC=C3C4C=CC2C(C4(C#N)C#N)(C#N)C#N	IXBYUNCAQXOWQZ-UHFFFAOYSA-N
DG53431	"2-Amino-4-(4-(4-chlorophenyl)-1,3-thiazol-2-yl)butanoic acid"	363917	"NSC629306; CHEMBL1971044; 2-Amino-4-(4-(4-chlorophenyl)-1,3-thiazol-2-yl)butanoic acid; NSC-629306; NCI60_009511; alpha-Amino-4-(4-chlorophenyl)-2-thiazolebutanoic acid; 2-amino-4-[4-(4-chlorophenyl)thiazol-2-yl]butanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629306	.	.	.	.	296.77	C13H13ClN2O2S	104	311	0.3	19	2	5	5	"InChI=1S/C13H13ClN2O2S/c14-9-3-1-8(2-4-9)11-7-19-12(16-11)6-5-10(15)13(17)18/h1-4,7,10H,5-6,15H2,(H,17,18)"	C1=CC(=CC=C1C2=CSC(=N2)CCC(C(=O)O)N)Cl	NSQBRJKZQPANCA-UHFFFAOYSA-N
DG53432	"Diethyl 7-(1-adamantyl)-9-oxo-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonane-1,5-dicarboxylate"	363925	"NSC629413; Diethyl 7-(1-adamantyl)-9-oxo-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonane-1,5-dicarboxylate; CHEMBL1965588; NSC-629413; NCI60_009520; 2,4-Diphenyl-7-(1-adamantyl)-9-oxo-3-oxa-7-azabicyclo[3.3.1]nonane-1,5-dicarboxylic acid diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629413	.	.	.	.	571.7	C35H41NO6	82.1	962	5.7	42	0	7	9	"InChI=1S/C35H41NO6/c1-3-40-31(38)34-21-36(33-18-23-15-24(19-33)17-25(16-23)20-33)22-35(30(34)37,32(39)41-4-2)29(27-13-9-6-10-14-27)42-28(34)26-11-7-5-8-12-26/h5-14,23-25,28-29H,3-4,15-22H2,1-2H3"	CCOC(=O)C12CN(CC(C1=O)(C(OC2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC)C56CC7CC(C5)CC(C7)C6	JKJUPHVYTNXPOR-UHFFFAOYSA-N
DG53433	2-(1-(4-(Dimethylamino)phenyl)-2-(9H-thioxanthen-9-ylidene)ethylidene)malononitrile	363964	NSC629501; 2-(1-(4-(Dimethylamino)phenyl)-2-(9H-thioxanthen-9-ylidene)ethylidene)malononitrile; CHEMBL2003829; NSC-629501; NCI60_009555; 2-[1-(4-dimethylaminophenyl)-2-thioxanthen-9-ylidene-ethylidene]propanedinitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629501	.	.	.	.	405.5	C26H19N3S	76.1	742	6	30	0	4	3	"InChI=1S/C26H19N3S/c1-29(2)20-13-11-18(12-14-20)23(19(16-27)17-28)15-24-21-7-3-5-9-25(21)30-26-10-6-4-8-22(24)26/h3-15H,1-2H3"	CN(C)C1=CC=C(C=C1)C(=C(C#N)C#N)C=C2C3=CC=CC=C3SC4=CC=CC=C42	OQUZBDCNUWNKQE-UHFFFAOYSA-N
DG53434	"8-Isopropyl-4,4,11a-trimethyl-2,9-dioxo-2,3,4,9,11,11a-hexahydrobenzo[5,6]cyclohepta[1,2-b]pyran-10-yl acetate"	363975	"NSC629595; 8-Isopropyl-4,4,11a-trimethyl-2,9-dioxo-2,3,4,9,11,11a-hexahydrobenzo[5,6]cyclohepta[1,2-b]pyran-10-yl acetate; CHEMBL1981984; NSC-629595; NCI60_009564; (8-isopropyl-4,4,11a-trimethyl-2,9-dioxo-3,11-dihydrobenzo[[ ]:[ ]]cyclohepta[[ ]]pyran-10-yl) acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629595	.	.	.	.	370.4	C22H26O5	69.7	863	2.9	27	0	5	3	"InChI=1S/C22H26O5/c1-12(2)15-9-14-7-8-17-21(4,5)11-18(24)27-22(17,6)10-16(14)20(19(15)25)26-13(3)23/h7-9,12H,10-11H2,1-6H3"	CC(C)C1=CC2=CC=C3C(CC(=O)OC3(CC2=C(C1=O)OC(=O)C)C)(C)C	OHOPGMMXXXLGDP-UHFFFAOYSA-N
DG53435	"N~4~-(6-((2-Amino-6-chloro-4-pyrimidinyl)amino)hexyl)-6-chloro-2,4-pyrimidinediamine"	363997	"NSC629619; CHEMBL1981457; ZINC1620413; NSC-629619; NCI60_009578; N',N'''-Hexamethylenebis(6-chloropyrimidine-2,4-diamine); N~4~-(6-((2-Amino-6-chloro-4-pyrimidinyl)amino)hexyl)-6-chloro-2,4-pyrimidinediamine; N4-[6-[(2-amino-6-chloro-pyrimidin-4-yl)amino]hexyl]-6-chloro-pyrimidine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629619	.	.	.	.	371.3	C14H20Cl2N8	128	319	3.5	24	4	8	9	"InChI=1S/C14H20Cl2N8/c15-9-7-11(23-13(17)21-9)19-5-3-1-2-4-6-20-12-8-10(16)22-14(18)24-12/h7-8H,1-6H2,(H3,17,19,21,23)(H3,18,20,22,24)"	C1=C(N=C(N=C1Cl)N)NCCCCCCNC2=CC(=NC(=N2)N)Cl	ADULCMDEVILOLH-UHFFFAOYSA-N
DG53436	"N~4~-(8-((2-Amino-6-chloro-4-pyrimidinyl)amino)octyl)-6-chloro-2,4-pyrimidinediamine"	363998	"NSC629620; CHEMBL1926982; ZINC1620414; NSC-629620; NCI60_009579; N',N'''-Octamethylenebis(6-chloropyrimidine-2,4-diamine); N~4~-(8-((2-Amino-6-chloro-4-pyrimidinyl)amino)octyl)-6-chloro-2,4-pyrimidinediamine; N4-[8-[(2-amino-6-chloro-pyrimidin-4-yl)amino]octyl]-6-chloro-pyrimidine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629620	.	.	.	.	399.3	C16H24Cl2N8	128	344	4.6	26	4	8	11	"InChI=1S/C16H24Cl2N8/c17-11-9-13(25-15(19)23-11)21-7-5-3-1-2-4-6-8-22-14-10-12(18)24-16(20)26-14/h9-10H,1-8H2,(H3,19,21,23,25)(H3,20,22,24,26)"	C1=C(N=C(N=C1Cl)N)NCCCCCCCCNC2=CC(=NC(=N2)N)Cl	GBSDXZVWFGECBR-UHFFFAOYSA-N
DG53437	"N4-[10-[(2-amino-6-chloro-pyrimidin-4-yl)amino]decyl]-6-chloro-pyrimidine-2,4-diamine"	363999	"NSC629621; CHEMBL1926983; ZINC5887927; NSC-629621; NCI60_009580; N',N'''-Decamethylenebis(6-chloropyrimidine-2,4-diamine); 2,4-Pyrimidinediamine, N4,N4'-1,10-decanediylbis[6-chloro-; N4-[10-[(2-amino-6-chloro-pyrimidin-4-yl)amino]decyl]-6-chloro-pyrimidine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629621	.	.	.	.	427.4	C18H28Cl2N8	128	370	5.6	28	4	8	13	"InChI=1S/C18H28Cl2N8/c19-13-11-15(27-17(21)25-13)23-9-7-5-3-1-2-4-6-8-10-24-16-12-14(20)26-18(22)28-16/h11-12H,1-10H2,(H3,21,23,25,27)(H3,22,24,26,28)"	C1=C(N=C(N=C1Cl)N)NCCCCCCCCCCNC2=CC(=NC(=N2)N)Cl	REFFSBPVNNVPTC-UHFFFAOYSA-N
DG53438	"(1-Benzyl-3,4,5-tris(benzyloxy)-2-piperidinyl)methanol"	364050	"NSC629676; (1-Benzyl-3,4,5-tris(benzyloxy)-2-piperidinyl)methanol; SCHEMBL6060682; CHEMBL1999779; NSC-629676; NCI60_009619; (1-benzyl-3,4,5-tribenzyloxy-2-piperidyl)methanol; N-Benzyl-2(R)-hydroxymethyl-3(R),5(S)- tribenzyloxypiperidine; N-Benzyl-2(R)-hydroxymethyl-3(R),4(R),5(S)- tribenzyloxypiperidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629676	.	.	.	.	523.7	C34H37NO4	51.2	652	5.2	39	1	5	12	"InChI=1S/C34H37NO4/c36-23-31-33(38-25-29-17-9-3-10-18-29)34(39-26-30-19-11-4-12-20-30)32(37-24-28-15-7-2-8-16-28)22-35(31)21-27-13-5-1-6-14-27/h1-20,31-34,36H,21-26H2"	C1C(C(C(C(N1CC2=CC=CC=C2)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5	YAEJOANLERDYGA-UHFFFAOYSA-N
DG53439	4-Bromo-1-((4-bromo-1H-pyrazol-1-yl)(2-chlorophenyl)methyl)-1H-pyrazole	364072	NSC629711; 4-Bromo-1-((4-bromo-1H-pyrazol-1-yl)(2-chlorophenyl)methyl)-1H-pyrazole; CHEMBL1972975; 4-bromo-1-[(4-bromopyrazol-1-yl)-(2-chlorophenyl)methyl]pyrazole; NSC-629711; NCI60_009632	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629711	.	.	.	.	416.5	C13H9Br2ClN4	35.6	316	4.1	20	0	2	3	"InChI=1S/C13H9Br2ClN4/c14-9-5-17-19(7-9)13(20-8-10(15)6-18-20)11-3-1-2-4-12(11)16/h1-8,13H"	C1=CC=C(C(=C1)C(N2C=C(C=N2)Br)N3C=C(C=N3)Br)Cl	UIRHULWDWNPBPJ-UHFFFAOYSA-N
DG53440	"2,3-Diphenylbenzo[g]quinoxaline-5,10-dione"	364074	"DPBQ; 2,3-Diphenylbenzo[g]quinoxaline-5,10-dione; NSC629713; 7029-89-2; NCIMech_000452; CHEMBL1987838; SCHEMBL12767600; DPBQ, >=98% (HPLC); ZINC1620467; CCG-35609; HY-U00441; NSC-629713; NCI60_009634; CS-0035391"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629713	.	.	.	.	362.4	C24H14N2O2	59.9	541	4.7	28	0	4	2	InChI=1S/C24H14N2O2/c27-23-17-13-7-8-14-18(17)24(28)22-21(23)25-19(15-9-3-1-4-10-15)20(26-22)16-11-5-2-6-12-16/h1-14H	C1=CC=C(C=C1)C2=C(N=C3C(=N2)C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5	BDDRJIAFKGWLMD-UHFFFAOYSA-N
DG53441	Cyto6F11	364089	NSC629730; Cyto6F11; SCHEMBL9501871; CHEMBL1975467; ZINC82170849; MCULE-3244844687; NSC-629730; NCI60_009649	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629730	.	.	.	.	650.6	C34H30N6O8	173	1210	4.3	48	0	10	8	"InChI=1S/C34H30N6O8/c41-31-25-7-1-5-21-17-23(39(45)46)19-27(29(21)25)33(43)37(31)11-3-9-35-13-15-36(16-14-35)10-4-12-38-32(42)26-8-2-6-22-18-24(40(47)48)20-28(30(22)26)34(38)44/h1-2,5-8,17-20H,3-4,9-16H2"	C1CN(CCN1CCCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])CCCN5C(=O)C6=CC=CC7=CC(=CC(=C76)C5=O)[N+](=O)[O-]	OYNMPOBOWPMEKI-UHFFFAOYSA-N
DG53442	"1,8-Octanediamine, N,N'-bis(1-naphthalenylmethyl)-"	364092	"NSC-629733; 1,8-Octanediamine, N,N'-bis(1-naphthalenylmethyl)-; NSC629733; 145409-13-8; CHEMBL460779; DTXSID20327084; NCI60_009652; N,N'-Octamethylenebis(1-naphthalenemethanamine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629733	.	.	.	.	424.6	C30H36N2	24.1	447	7.4	32	2	2	13	"InChI=1S/C30H36N2/c1(3-9-21-31-23-27-17-11-15-25-13-5-7-19-29(25)27)2-4-10-22-32-24-28-18-12-16-26-14-6-8-20-30(26)28/h5-8,11-20,31-32H,1-4,9-10,21-24H2"	C1=CC=C2C(=C1)C=CC=C2CNCCCCCCCCNCC3=CC=CC4=CC=CC=C43	RUSAGYULHXYFNT-UHFFFAOYSA-N
DG53443	"N,N'-(1,12-Dodecanediyl)bis(1-naphthalenemethanamine)"	364093	"NSC-629734; NSC629734; CHEMBL517742; SCHEMBL21379748; NCI60_009653; N,N'-(1,12-Dodecanediyl)bis(1-naphthalenemethanamine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629734	.	.	.	.	480.7	C34H44N2	24.1	499	9.5	36	2	2	17	"InChI=1S/C34H44N2/c1(3-5-7-13-25-35-27-31-21-15-19-29-17-9-11-23-33(29)31)2-4-6-8-14-26-36-28-32-22-16-20-30-18-10-12-24-34(30)32/h9-12,15-24,35-36H,1-8,13-14,25-28H2"	C1=CC=C2C(=C1)C=CC=C2CNCCCCCCCCCCCCNCC3=CC=CC4=CC=CC=C43	OEXYPCKYSZKKFX-UHFFFAOYSA-N
DG53444	"1,4-Bis[3-(1-naphthylmethylamino)propyl]piperazine"	364094	"NSC-629735; NSC629735; CHEMBL444737; NCI60_009654; 1,4-Bis[3-(1-naphthylmethylamino)propyl]piperazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629735	.	.	.	.	480.7	C32H40N4	30.5	551	5.4	36	2	4	12	"InChI=1S/C32H40N4/c1-3-15-31-27(9-1)11-5-13-29(31)25-33-17-7-19-35-21-23-36(24-22-35)20-8-18-34-26-30-14-6-12-28-10-2-4-16-32(28)30/h1-6,9-16,33-34H,7-8,17-26H2"	C1CN(CCN1CCCNCC2=CC=CC3=CC=CC=C32)CCCNCC4=CC=CC5=CC=CC=C54	ZQIIXAMHFLUAFR-UHFFFAOYSA-N
DG53445	1-(1-Naphthylmethyl)-4-[1-(1-naphthylmethyl)-4-piperidyl]piperidine	364095	"NSC-629736; NSC669995; NSC629736; CHEMBL460356; NCI60_009655; NCI60_024504; 4,4'-Bipiperidine, 1,1'-bis(1-naphthalenylmethyl)-; 1,1'-[(4,4'-Bipiperidine-1,1'-diyl)bismethylene]bisnaphthalene; 1-(1-naphthylmethyl)-4-[1-(1-naphthylmethyl)-4-piperidyl]piperidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629736	.	.	.	.	448.6	C32H36N2	6.5	563	7.3	34	0	2	5	"InChI=1S/C32H36N2/c1-3-13-31-27(7-1)9-5-11-29(31)23-33-19-15-25(16-20-33)26-17-21-34(22-18-26)24-30-12-6-10-28-8-2-4-14-32(28)30/h1-14,25-26H,15-24H2"	C1CN(CCC1C2CCN(CC2)CC3=CC=CC4=CC=CC=C43)CC5=CC=CC6=CC=CC=C65	NMZQKJNXVWZWES-UHFFFAOYSA-N
DG53446	"N,N'-(1,6-Hexanediyl)bis(1-naphthamide)"	364096	"NSC629737; CHEMBL1976460; AKOS003888683; NSC-629737; NCI60_009656; N,N'-(1,6-Hexanediyl)bis(1-naphthamide)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629737	.	.	.	.	424.5	C28H28N2O2	58.2	554	6.1	32	2	2	9	"InChI=1S/C28H28N2O2/c31-27(25-17-9-13-21-11-3-5-15-23(21)25)29-19-7-1-2-8-20-30-28(32)26-18-10-14-22-12-4-6-16-24(22)26/h3-6,9-18H,1-2,7-8,19-20H2,(H,29,31)(H,30,32)"	C1=CC=C2C(=C1)C=CC=C2C(=O)NCCCCCCNC(=O)C3=CC=CC4=CC=CC=C43	CXUPFLUEODCCSZ-UHFFFAOYSA-N
DG53447	"1-Naphthalenecarboxamide,N'-1,8-(octanediyl)bis-"	364097	"NSC629738; MLS002701637; NCIChal_000010; NCIMech_000610; CHEMBL2004390; ZINC5888466; CCG-35614; CCG-36460; AKOS003885081; NSC-629738; NCI60_009657; SMR001565238; 1-Naphthalenecarboxamide,N'-1,8-(octanediyl)bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629738	.	.	.	.	452.6	C30H32N2O2	58.2	581	7.2	34	2	2	11	"InChI=1S/C30H32N2O2/c33-29(27-19-11-15-23-13-5-7-17-25(23)27)31-21-9-3-1-2-4-10-22-32-30(34)28-20-12-16-24-14-6-8-18-26(24)28/h5-8,11-20H,1-4,9-10,21-22H2,(H,31,33)(H,32,34)"	C1=CC=C2C(=C1)C=CC=C2C(=O)NCCCCCCCCNC(=O)C3=CC=CC4=CC=CC=C43	LRAQTEGZWQCIKJ-UHFFFAOYSA-N
DG53448	N-[12-(naphthalene-1-carbonylamino)dodecyl]naphthalene-1-carboxamide	364098	NSC629739; CHEMBL1970136; NSC-629739; NCI60_009658	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629739	.	.	.	.	508.7	C34H40N2O2	58.2	636	9.4	38	2	2	15	"InChI=1S/C34H40N2O2/c37-33(31-23-15-19-27-17-9-11-21-29(27)31)35-25-13-7-5-3-1-2-4-6-8-14-26-36-34(38)32-24-16-20-28-18-10-12-22-30(28)32/h9-12,15-24H,1-8,13-14,25-26H2,(H,35,37)(H,36,38)"	C1=CC=C2C(=C1)C=CC=C2C(=O)NCCCCCCCCCCCCNC(=O)C3=CC=CC4=CC=CC=C43	NLPMTOQOCINRLW-UHFFFAOYSA-N
DG53449	N-[3-[4-[3-(naphthalene-1-carbonylamino)propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide	364099	NSC629740; CHEMBL1980136; SCHEMBL10722459; AKOS003878054; NSC-629740; NCI60_009659	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629740	.	.	.	.	508.7	C32H36N4O2	64.7	690	5.2	38	2	4	10	"InChI=1S/C32H36N4O2/c37-31(29-15-5-11-25-9-1-3-13-27(25)29)33-17-7-19-35-21-23-36(24-22-35)20-8-18-34-32(38)30-16-6-12-26-10-2-4-14-28(26)30/h1-6,9-16H,7-8,17-24H2,(H,33,37)(H,34,38)"	C1CN(CCN1CCCNC(=O)C2=CC=CC3=CC=CC=C32)CCCNC(=O)C4=CC=CC5=CC=CC=C54	UHAKJHCEGCIVSA-UHFFFAOYSA-N
DG53450	NSC629742	364101	"13,28-Dimethyl-2,5,7,21-tetraoxa-13,28-diazaoctacyclo[25.6.2.222,25.13,10.116,20.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19,22,24,31,34,36-dodecaene-19,33-diol; NSC629742; CHEMBL1985942; NSC-629742; NCI60_009661; 13,28-Dimethyl-2,5,7,21-tetraoxa-13,28-diazaoctacyclo[25.6.2.2~22,25~.1~3,10~.1~16,20~.0~4,8~.0~14,39~.0~31,35~]nonatriaconta-1(33),3,8,10(39),16(38),17,19,22,24,31,34,36-dodecaene-19,33-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629742	.	.	.	.	578.7	C35H34N2O6	83.9	963	5.6	43	2	8	0	"InChI=1S/C35H34N2O6/c1-36-11-9-22-16-29(39)31-18-25(22)26(36)13-20-3-6-24(7-4-20)42-30-15-21(5-8-28(30)38)14-27-33-23(10-12-37(27)2)17-32-34(35(33)43-31)41-19-40-32/h3-8,15-18,26-27,38-39H,9-14,19H2,1-2H3"	CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C8=C(C=C7CCN6C)OCO8)O)O	KLAOLTDJIRTAEJ-UHFFFAOYSA-N
DG53451	"2,2'-Dimethyl-6',7-epoxyberbaman-6,12-diol"	364104	"NSC629745; 2,2'-Dimethyl-6',7-epoxyberbaman-6,12-diol; CHEMBL1988878; NSC-629745; NCI60_009663"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629745	.	.	.	.	548.6	C34H32N2O5	74.6	929	5.4	41	2	7	0	"InChI=1S/C34H32N2O5/c1-35-11-9-21-17-30-31-18-24(21)25(35)13-19-3-6-23(7-4-19)39-29-15-20(5-8-27(29)37)14-26-32-22(10-12-36(26)2)16-28(38)33(40-30)34(32)41-31/h3-8,15-18,25-26,37-38H,9-14H2,1-2H3"	CN1CCC2=CC3=C4C=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=C(O4)C(=C(C=C8CCN7C)O)O3)O	CUWLASKQLWUARF-UHFFFAOYSA-N
DG53452	"2-Isopropenyl-2,3-dihydronaphtho[2,3-b]furan-4,9-dione"	364109	"Dehydroiso-alpha-lapachone; NSC629754; 51920-95-7; 2-Isopropenyl-2,3-dihydronaphtho[2,3-b]furan-4,9-dione; Dehydro iso-.alpha.-lapachone; CHEMBL221630; DTXSID10966244; NSC-629754; NCI60_009666; 2-isopropenyl-2,3-dihydrobenzo[f]benzofuran-4,9-dione; 2,3-dihydro-2-(1-methyl-ethenyl)naphtho[2,3-b ]furan-4,9-dione; 2-(prop-1-en-2-yl)-2,3-dihydronaphtho[2,3-b]furan-4,9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629754	.	.	.	.	240.25	C15H12O3	43.4	472	3	18	0	3	1	"InChI=1S/C15H12O3/c1-8(2)12-7-11-13(16)9-5-3-4-6-10(9)14(17)15(11)18-12/h3-6,12H,1,7H2,2H3"	CC(=C)C1CC2=C(O1)C(=O)C3=CC=CC=C3C2=O	ZDMOREUAQLXRCQ-UHFFFAOYSA-N
DG53453	"6,7-Dimethyl-4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromene-8-carboxylic acid"	364115	"NSC629784; 6,7-Dimethyl-4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromene-8-carboxylic acid; CHEMBL1969327; ZINC1620494; 6,7-dimethyl-4-oxo-2-(3,4,5-trimethoxyphenyl)chromene-8-carboxylic acid; NSC-629784; NCI60_009672; 4-Oxo-6,7-dimethyl-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-8-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629784	.	.	.	.	384.4	C21H20O7	91.3	616	3.3	28	1	7	5	"InChI=1S/C21H20O7/c1-10-6-13-14(22)9-15(28-19(13)18(11(10)2)21(23)24)12-7-16(25-3)20(27-5)17(8-12)26-4/h6-9H,1-5H3,(H,23,24)"	CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC(=C(C(=C3)OC)OC)OC	WYGZBLPTVVZJTD-UHFFFAOYSA-N
DG53454	"6,7-Dimethyl-4-oxo-2-(2-thienyl)-4H-chromene-8-carboxylic acid"	364120	"NSC629789; CHEMBL1993195; 6,7-Dimethyl-4-oxo-2-(2-thienyl)-4H-chromene-8-carboxylic acid; ZINC1620499; NSC-629789; NCI60_009677; 6,7-dimethyl-4-oxo-2-(2-thienyl)chromene-8-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629789	.	.	.	.	300.3	C16H12O4S	91.8	487	3.2	21	1	5	2	"InChI=1S/C16H12O4S/c1-8-6-10-11(17)7-12(13-4-3-5-21-13)20-15(10)14(9(8)2)16(18)19/h3-7H,1-2H3,(H,18,19)"	CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=CS3	HLCUCOWOXBLOSU-UHFFFAOYSA-N
DG53455	"2-Oxo-5-(3-oxobutyl)-4,5-diphenyl-2,5-dihydro-3-furancarbonitrile"	364128	"NSC629798; 2-Oxo-5-(3-oxobutyl)-4,5-diphenyl-2,5-dihydro-3-furancarbonitrile; CHEMBL1998631; NSC-629798; NCI60_009686; 2-oxo-5-(3-oxobutyl)-4,5-diphenyl-furan-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629798	.	.	.	.	331.4	C21H17NO3	67.2	614	2.9	25	0	4	5	"InChI=1S/C21H17NO3/c1-15(23)12-13-21(17-10-6-3-7-11-17)19(16-8-4-2-5-9-16)18(14-22)20(24)25-21/h2-11H,12-13H2,1H3"	CC(=O)CCC1(C(=C(C(=O)O1)C#N)C2=CC=CC=C2)C3=CC=CC=C3	QFVIUGHNVMVRDH-UHFFFAOYSA-N
DG53456	"4-((4-Bromo-2-methylphenyl)diazenyl)-3-methyl-1,5-diphenyl-1H-pyrazole"	364149	"NSC629821; 4-((4-Bromo-2-methylphenyl)diazenyl)-3-methyl-1,5-diphenyl-1H-pyrazole; CHEMBL1972225; NSC-629821; NCI60_009699; (E)-(4-bromo-2-methyl-phenyl)-(3-methyl-1,5-diphenyl-pyrazol-4-yl)diazene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629821	.	.	.	.	431.3	C23H19BrN4	42.5	515	6.8	28	0	3	4	"InChI=1S/C23H19BrN4/c1-16-15-19(24)13-14-21(16)25-26-22-17(2)27-28(20-11-7-4-8-12-20)23(22)18-9-5-3-6-10-18/h3-15H,1-2H3"	CC1=C(C=CC(=C1)Br)N=NC2=C(N(N=C2C)C3=CC=CC=C3)C4=CC=CC=C4	IVGFWIIFCPOGME-UHFFFAOYSA-N
DG53457	"4-((2-Bromo-4-methylphenyl)diazenyl)-3-methyl-1,5-diphenyl-1H-pyrazole"	364152	"NSC629824; 4-((2-Bromo-4-methylphenyl)diazenyl)-3-methyl-1,5-diphenyl-1H-pyrazole; CHEMBL2005692; NSC-629824; NCI60_009701; (E)-(2-bromo-4-methyl-phenyl)-(3-methyl-1,5-diphenyl-pyrazol-4-yl)diazene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629824	.	.	.	.	431.3	C23H19BrN4	42.5	515	6.8	28	0	3	4	"InChI=1S/C23H19BrN4/c1-16-13-14-21(20(24)15-16)25-26-22-17(2)27-28(19-11-7-4-8-12-19)23(22)18-9-5-3-6-10-18/h3-15H,1-2H3"	CC1=CC(=C(C=C1)N=NC2=C(N(N=C2C)C3=CC=CC=C3)C4=CC=CC=C4)Br	LYXHSOROIZVADN-UHFFFAOYSA-N
DG53458	"6-((4-Methoxyphenyl)imino)[1,2]dithiolo[4,3-c][1,2]dithiole-3(6H)-thione"	364157	"NSC629829; CHEMBL1968927; ZINC17194704; 6-((4-Methoxyphenyl)imino)[1,2]dithiolo[4,3-c][1,2]dithiole-3(6H)-thione; ZINC104282014; NSC-629829; NCI60_009706; (3Z)-3-(4-methoxyphenyl)iminodithiolo[4,3-c]dithiole-6-thione; 6-[(4-Methoxyphenyl)imino][1,2]dithiolo[4,3-c]-1,2-dithiol-3(6H)-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629829	.	.	.	.	329.5	C11H7NOS5	155	425	3.5	18	0	7	2	"InChI=1S/C11H7NOS5/c1-13-7-4-2-6(3-5-7)12-10-8-9(16-17-10)11(14)18-15-8/h2-5H,1H3"	COC1=CC=C(C=C1)N=C2C3=C(C(=S)SS3)SS2	FVECGOHKWKHWCW-UHFFFAOYSA-N
DG53459	"(3,5-Dimethyl-1,1-dioxo-2-phenyl-4-thiocyanato-thiazin-6-yl) thiocyanate"	364158	"NSC629830; CHEMBL1999498; NSC-629830; Thiocyanic acid, 3,5-dimethyl-1,1-dioxido-2-phenyl-2H-1,2-thiazine-4,6-diyl ester; NCI60_009707; (3,5-dimethyl-1,1-dioxo-2-phenyl-4-thiocyanato-thiazin-6-yl) thiocyanate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629830	.	.	.	.	349.5	C14H11N3O2S3	144	722	3	22	0	7	3	"InChI=1S/C14H11N3O2S3/c1-10-13(20-8-15)11(2)17(12-6-4-3-5-7-12)22(18,19)14(10)21-9-16/h3-7H,1-2H3"	CC1=C(S(=O)(=O)N(C(=C1SC#N)C)C2=CC=CC=C2)SC#N	GXCAAQHHFMUJKS-UHFFFAOYSA-N
DG53460	"6H-Benzofuro(3,2-c)(1)benzopyran, 6a,11a-dihydro-3,9-dimethoxy-, (6aR,11aR)-rel-"	364159	"Homopterocarpin; 7678-43-5; NSC629831; 6H-Benzofuro[3,2-c][1]benzopyran, 6a,11a-dihydro-3,9-dimethoxy-, cis-; 6H-Benzofuro(3,2-c)(1)benzopyran, 6a,11a-dihydro-3,9-dimethoxy-, (6aR,11aR)-rel-; 6H-Benzofuro(3,2-c)(1)benzopyran, 6a,11a-dihydro-3,9-dimethoxy-, cis-; 6H-Benzofuro[3,2-c][1]benzopyran, 6a,11a-dihydro-3,9-dimethoxy-, (6aR,11aR)-rel-; (+)-Homopterocarpin; NSC 629831; CHEMBL2007304; DTXSID90227587; ZINC1620529; AKOS016023689; NSC-629831; NCI60_009708; (6aS,11aS)-3,9-dimethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629831	.	.	.	.	284.31	C17H16O4	36.9	374	2.9	21	0	4	2	"InChI=1S/C17H16O4/c1-18-10-4-6-13-15(7-10)20-9-14-12-5-3-11(19-2)8-16(12)21-17(13)14/h3-8,14,17H,9H2,1-2H3/t14-,17-/m1/s1"	COC1=CC2=C(C=C1)[C@H]3COC4=C([C@H]3O2)C=CC(=C4)OC	VPGIGLKLCFOWDN-RHSMWYFYSA-N
DG53461	"3-(2,4-Dichloro-phenoxymethyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	364167	"NSC629867; 3-[(2,4-dichlorophenoxy)methyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine; 3-(2,4-Dichloro-phenoxymethyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine; CHEMBL1087698; ZINC1417178; STL264933; AKOS002230702; MCULE-4373543250; NSC-629867; NCI60_009715"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629867	.	.	.	.	391.3	C17H12Cl2N4OS	77.6	491	4.7	25	0	5	4	"InChI=1S/C17H12Cl2N4OS/c18-12-6-7-15(13(19)8-12)24-9-16-20-21-17-23(16)22-14(10-25-17)11-4-2-1-3-5-11/h1-8H,9-10H2"	C1C(=NN2C(=NN=C2S1)COC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4	FRYJFBBCGRBCDL-UHFFFAOYSA-N
DG53462	"6-(4-Bromo-phenyl)-3-(4-chloro-phenoxymethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	364168	"NSC629868; 6-(4-Bromo-phenyl)-3-(4-chloro-phenoxymethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine; CHEMBL1999449; ZINC5888744; NSC-629868; 6-(4-bromophenyl)-3-[(4-chlorophenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine; NCI60_009716"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629868	.	.	.	.	435.7	C17H12BrClN4OS	77.6	483	4.7	25	0	5	4	"InChI=1S/C17H12BrClN4OS/c18-12-3-1-11(2-4-12)15-10-25-17-21-20-16(23(17)22-15)9-24-14-7-5-13(19)6-8-14/h1-8H,9-10H2"	C1C(=NN2C(=NN=C2S1)COC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Br	WBPJFXGBOONWAA-UHFFFAOYSA-N
DG53463	4-Ethoxy-N-(4-quinolinylmethylene)aniline	364174	"NSC629874; 4-Ethoxy-N-(4-quinolinylmethylene)aniline; CHEMBL1987840; ZINC17194719; ZINC104282025; NSC-629874; NCI60_009722; N-(4-ethoxyphenyl)-1-(4-quinolyl)methanimine; Benzenamine, 4-ethoxy-N-[(4-quinolinyl)methylene]-; N-(4-Ethoxyphenyl)-N-(4-quinolinylmethylene)amine; Benzenamine, {4-ethoxy-N-[(4-quinolinyl)methylene]-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629874	.	.	.	.	276.3	C18H16N2O	34.5	336	2.6	21	0	3	4	"InChI=1S/C18H16N2O/c1-2-21-16-9-7-15(8-10-16)20-13-14-11-12-19-18-6-4-3-5-17(14)18/h3-13H,2H2,1H3"	CCOC1=CC=C(C=C1)N=CC2=CC=NC3=CC=CC=C23	HNKJPQCVXNNDLM-UHFFFAOYSA-N
DG53464	"6-(5-Nitro-2-furyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	364210	"NSC629972; 6-(5-Nitro-2-furyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine; CHEMBL1992898; ZINC5888841; NSC-629972; NCI60_009743"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629972	.	.	.	.	251.22	C8H5N5O3S	127	360	1.5	17	0	7	1	"InChI=1S/C8H5N5O3S/c14-13(15)7-2-1-6(16-7)5-3-17-8-10-9-4-12(8)11-5/h1-2,4H,3H2"	C1C(=NN2C=NN=C2S1)C3=CC=C(O3)[N+](=O)[O-]	XXYGMDHPEVSWBI-UHFFFAOYSA-N
DG53465	"6-(5-Nitro-furan-2-yl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	364211	"NSC629973; 6-(5-Nitro-furan-2-yl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine; CHEMBL2000273; NSC-629973; NCI60_009744; 6-(5-nitro-2-furyl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629973	.	.	.	.	327.32	C14H9N5O3S	127	493	3.1	23	0	7	2	"InChI=1S/C14H9N5O3S/c20-19(21)12-7-6-11(22-12)10-8-23-14-16-15-13(18(14)17-10)9-4-2-1-3-5-9/h1-7H,8H2"	C1C(=NN2C(=NN=C2S1)C3=CC=CC=C3)C4=CC=C(O4)[N+](=O)[O-]	SCQCPMKKTIXRFD-UHFFFAOYSA-N
DG53466	"3-(4-Chlorophenyl)-6-(5-(hydroxy(oxido)amino)-2-furyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	364212	"NSC629974; NSC-629974; NCIStruc1_001876; NCIStruc2_001206; CHEMBL1335409; SCHEMBL15599322; ZINC3954657; CCG-37208; NCGC00014942; NCI629974; NCGC00014942-02; NCGC00098042-01; NCI60_009745; 3-(4-Chlorophenyl)-6-(5-nitro-2-furyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine; 7H-1,4-Triazolo[3,4-b][1,3,4]thiadiazine, 3-(4-chlorophenyl)-6-(5-nitro-2-furanyl)-; 117257-66-6; 3-(4-Chlorophenyl)-6-(5-(hydroxy(oxido)amino)-2-furyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629974	.	.	.	.	361.8	C14H8ClN5O3S	127	525	3.8	24	0	7	2	"InChI=1S/C14H8ClN5O3S/c15-9-3-1-8(2-4-9)13-16-17-14-19(13)18-10(7-24-14)11-5-6-12(23-11)20(21)22/h1-6H,7H2"	C1C(=NN2C(=NN=C2S1)C3=CC=C(C=C3)Cl)C4=CC=C(O4)[N+](=O)[O-]	FBOLUDBCPRWEIO-UHFFFAOYSA-N
DG53467	6-(p-Bromophenylazo)coumarin-3-carboxy-m-chloroanilide	364224	NSC630075; 6-(p-Bromophenylazo)coumarin-3-carboxy-m-chloroanilide; CHEMBL1987222; ZINC18169568; ZINC104282127; NSC-630075; NCI60_009752	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630075	.	.	.	.	482.7	C22H13BrClN3O3	80.1	708	6	30	1	5	4	"InChI=1S/C22H13BrClN3O3/c23-14-4-6-16(7-5-14)26-27-18-8-9-20-13(10-18)11-19(22(29)30-20)21(28)25-17-3-1-2-15(24)12-17/h1-12H,(H,25,28)"	C1=CC(=CC(=C1)Cl)NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=C(C=C4)Br)OC2=O	YMIZLEMFGXBZKS-UHFFFAOYSA-N
DG53468	"{1-[2-Methoxyanilinomalonyl]-3,5-dimethyl-4-[2-chlorophenylazo]} pyrazole"	364236	"NSC630110; CHEMBL1965692; ZINC17194793; {1-[2-Methoxyanilinomalonyl]-3,5-dimethyl-4-[2-chlorophenylazo]} pyrazole; ZINC104282160; NSC-630110; NCI60_009759; 1-[2-Methoxyanilinomalonyl]-3,5-dimethyl-4-[2-chlorophenylazo] pyrazole; 3-(4-((2-Chlorophenyl)diazenyl)-3,5-dimethyl-1H-pyrazol-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide; 3-[4-[(E)-(2-chlorophenyl)azo]-3,5-dimethyl-pyrazol-1-yl]-N-(2-methoxyphenyl)-3-oxo-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630110	.	.	.	.	425.9	C21H20ClN5O3	97.9	634	4.8	30	1	6	6	"InChI=1S/C21H20ClN5O3/c1-13-21(25-24-16-9-5-4-8-15(16)22)14(2)27(26-13)20(29)12-19(28)23-17-10-6-7-11-18(17)30-3/h4-11H,12H2,1-3H3,(H,23,28)"	CC1=C(C(=NN1C(=O)CC(=O)NC2=CC=CC=C2OC)C)N=NC3=CC=CC=C3Cl	GNPBGPJMZIFDTK-UHFFFAOYSA-N
DG53469	NSC630197	364246	"[[4-[[3-[2-[1-[(2-Amino-2-oxo-ethyl)carbamoyl]tridecylsulfanyl]ethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-hydroxy-phosphoryl] [5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate; N-(2-SCoA-tetradecanoyl)glycinamide; NSC630197; AIDS156760; (Acyl-CoA); [M+H]+;; CHEMBL2007913; N-(2-SCoA-tetradecanoyl)glycinamide-; NCI60_009797; [[4-[[3-[2-[1-[(2-amino-2-oxo-ethyl)carbamoyl]tridecylsulfanyl]ethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-hydroxy-phosphoryl] [5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630197	.	.	.	.	1050	C37H66N9O18P3S	444	1760	-1	68	11	23	34	"InChI=1S/C37H66N9O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-25(34(51)42-19-26(38)47)68-18-17-40-27(48)15-16-41-35(52)31(50)37(2,3)21-61-67(58,59)64-66(56,57)60-20-24-30(63-65(53,54)55)29(49)36(62-24)46-23-45-28-32(39)43-22-44-33(28)46/h22-25,29-31,36,49-50H,4-21H2,1-3H3,(H2,38,47)(H,40,48)(H,41,52)(H,42,51)(H,56,57)(H,58,59)(H2,39,43,44)(H2,53,54,55)"	CCCCCCCCCCCCC(C(=O)NCC(=O)N)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O	NOJHTDUMXGCFPS-UHFFFAOYSA-N
DG53470	"N-(2,6-Dimethylphenyl)-4-(2-(4-hydroxy-2-naphthoyl)hydrazino)-4-oxobutanamide"	364282	"NSC630300; CHEMBL1996897; NSC-630300; N-(2,6-Dimethylphenyl)-4-(2-(4-hydroxy-2-naphthoyl)hydrazino)-4-oxobutanamide; NCI60_009830; N-(2,6-dimethylphenyl)-4-[2-(4-hydroxynaphthalene-2-carbonyl)hydrazino]-4-oxo-butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630300	.	.	.	.	405.4	C23H23N3O4	108	616	3.1	30	4	4	5	"InChI=1S/C23H23N3O4/c1-14-6-5-7-15(2)22(14)24-20(28)10-11-21(29)25-26-23(30)17-12-16-8-3-4-9-18(16)19(27)13-17/h3-9,12-13,27H,10-11H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)"	CC1=C(C(=CC=C1)C)NC(=O)CCC(=O)NNC(=O)C2=CC3=CC=CC=C3C(=C2)O	GKHKOKFWBBNAJQ-UHFFFAOYSA-N
DG53471	Methyl 8-[(4-chlorophenyl)carbamoyl]naphthalene-1-carboxylate	364289	NSC630307; methyl 8-[(4-chlorophenyl)carbamoyl]naphthalene-1-carboxylate; Methyl 8-((4-chloroanilino)carbonyl)-1-naphthoate; CHEMBL1975456; ZINC1620596; NSC-630307; NCI60_009837	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630307	.	.	.	.	339.8	C19H14ClNO3	55.4	462	4.5	24	1	3	4	"InChI=1S/C19H14ClNO3/c1-24-19(23)16-7-3-5-12-4-2-6-15(17(12)16)18(22)21-14-10-8-13(20)9-11-14/h2-11H,1H3,(H,21,22)"	COC(=O)C1=CC=CC2=C1C(=CC=C2)C(=O)NC3=CC=C(C=C3)Cl	LIFIDUDNLOGAMW-UHFFFAOYSA-N
DG53472	"Methyl 8-[(2,4-dimethylphenyl)carbamoyl]naphthalene-1-carboxylate"	364293	"NSC630311; methyl 8-[(2,4-dimethylphenyl)carbamoyl]naphthalene-1-carboxylate; CHEMBL2000095; Methyl 8-((2,4-dimethylanilino)carbonyl)-1-naphthoate; ZINC390599; NSC-630311; NCI60_009841"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630311	.	.	.	.	333.4	C21H19NO3	55.4	492	4.6	25	1	3	4	"InChI=1S/C21H19NO3/c1-13-10-11-18(14(2)12-13)22-20(23)16-8-4-6-15-7-5-9-17(19(15)16)21(24)25-3/h4-12H,1-3H3,(H,22,23)"	CC1=CC(=C(C=C1)NC(=O)C2=CC=CC3=C2C(=CC=C3)C(=O)OC)C	KSQZXLZLXSKWBI-UHFFFAOYSA-N
DG53473	"4-(3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]butanamide"	364310	"NSC630328; CHEMBL1997146; NSC-630328; NCI60_009857; 4-(1,4-Dihydroxy-3-methyl-1.lambda.~5~,4.lambda.~5~-quinoxalin-2-yl)-2,4-dioxo-N-(2-(trifluoromethyl)phenyl)butanamide; 4-(3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630328	.	.	.	.	433.3	C20H14F3N3O5	110	810	2.1	31	1	9	5	"InChI=1S/C20H14F3N3O5/c1-11-18(26(31)15-9-5-4-8-14(15)25(11)30)16(27)10-17(28)19(29)24-13-7-3-2-6-12(13)20(21,22)23/h2-9H,10H2,1H3,(H,24,29)"	CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=O)C(=O)NC3=CC=CC=C3C(F)(F)F	JFOHRKPZPBUCKX-UHFFFAOYSA-N
DG53474	"N-(3,4-Dichlorophenyl)-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide"	364321	"NSC630337; CHEMBL1981328; ZINC102921815; NSC-630337; N-(3,4-Dichlorophenyl)-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide; NCI60_009866; N-(3,4-dichlorophenyl)-4-(3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-2,4-dioxo-butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630337	.	.	.	.	434.2	C19H13Cl2N3O5	110	756	2.4	29	1	6	5	"InChI=1S/C19H13Cl2N3O5/c1-10-18(24(29)15-5-3-2-4-14(15)23(10)28)16(25)9-17(26)19(27)22-11-6-7-12(20)13(21)8-11/h2-8H,9H2,1H3,(H,22,27)"	CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=O)C(=O)NC3=CC(=C(C=C3)Cl)Cl	UJLGVJZLHAQVKI-UHFFFAOYSA-N
DG53475	"N-(2-isopropylphenyl)-2,4-dioxo-4-(3,6,7-trimethyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)butanamide"	364327	"NSC630342; CHEMBL1991539; NSC-630342; NCI60_009871; 4-(1,4-Dihydroxy-3,6,7-trimethyl-1.lambda.~5~,4.lambda.~5~-quinoxalin-2-yl)-N-(2-isopropylphenyl)-2,4-dioxobutanamide; N-(2-isopropylphenyl)-2,4-dioxo-4-(3,6,7-trimethyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630342	.	.	.	.	435.5	C24H25N3O5	110	821	3	32	1	6	6	"InChI=1S/C24H25N3O5/c1-13(2)17-8-6-7-9-18(17)25-24(30)22(29)12-21(28)23-16(5)26(31)19-10-14(3)15(4)11-20(19)27(23)32/h6-11,13H,12H2,1-5H3,(H,25,30)"	CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)CC(=O)C(=O)NC3=CC=CC=C3C(C)C	HKFHCNZEDUGRJT-UHFFFAOYSA-N
DG53476	"4-(3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]butanamide"	364337	"NSC630352; CHEMBL1994161; ZINC102957842; NSC-630352; NCI60_009881; 4-(1,4-Dihydroxy-3-methyl-1.lambda.~5~,4.lambda.~5~-quinoxalin-2-yl)-2,4-dioxo-N-(3-(trifluoromethyl)phenyl)butanamide; 4-(3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630352	.	.	.	.	433.3	C20H14F3N3O5	110	810	2.1	31	1	9	5	"InChI=1S/C20H14F3N3O5/c1-11-18(26(31)15-8-3-2-7-14(15)25(11)30)16(27)10-17(28)19(29)24-13-6-4-5-12(9-13)20(21,22)23/h2-9H,10H2,1H3,(H,24,29)"	CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=O)C(=O)NC3=CC=CC(=C3)C(F)(F)F	GMENEGNMIFTQKH-UHFFFAOYSA-N
DG53477	"N-(2-isopropyl-6-methyl-phenyl)-4-(3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-2,4-dioxo-butanamide"	364338	"NSC630353; CHEMBL1976224; ZINC102945643; NSC-630353; NCI60_009882; 4-(1,4-Dihydroxy-3-methyl-1.lambda.~5~,4.lambda.~5~-quinoxalin-2-yl)-N-(2-isopropyl-6-methylphenyl)-2,4-dioxobutanamide; N-(2-isopropyl-6-methyl-phenyl)-4-(3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-2,4-dioxo-butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630353	.	.	.	.	421.4	C23H23N3O5	110	790	2.7	31	1	6	6	"InChI=1S/C23H23N3O5/c1-13(2)16-9-7-8-14(3)21(16)24-23(29)20(28)12-19(27)22-15(4)25(30)17-10-5-6-11-18(17)26(22)31/h5-11,13H,12H2,1-4H3,(H,24,29)"	CC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C	ICJVDDUMKKDRHG-UHFFFAOYSA-N
DG53478	4-(1-Benzofuran-2-yl)-7-methoxychromen-2-one	364364	"4-(1-Benzofuran-2-yl)-7-methoxy-2H-chromen-2-one; 108154-51-4; NSC630375; 4-(1-benzofuran-2-yl)-7-methoxychromen-2-one; 2H-1-Benzopyran-2-one, 4-(2-benzofuranyl)-7-methoxy-; 4-(benzofuran-2-yl)-7-methoxy-2H-chromen-2-one; CHEMBL1977520; ZINC489327; STK788263; AKOS002181453; CCG-347015; MCULE-4022842746; NSC-630375; NCI60_009904; 4-(benzofuran-2-yl)-7-methoxy-chromen-2-one; F3139-1703"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630375	.	.	.	.	292.3	C18H12O4	48.7	472	3.5	22	0	4	2	"InChI=1S/C18H12O4/c1-20-12-6-7-13-14(10-18(19)22-17(13)9-12)16-8-11-4-2-3-5-15(11)21-16/h2-10H,1H3"	COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC4=CC=CC=C4O3	HVJZIPHIHDWKTE-UHFFFAOYSA-N
DG53479	"6H-2,5a-Methano-1-benzoxepin-7(8H)-one, 2,8-dibromo-2,5,9,9a-tetrahydro-5-hydroxy-5,8,10,10-tetramethyl-"	364366	"NSC630425; CHEMBL1979605; dibromo-hydroxy-tetramethyl-[ ]one; NSC-630425; 6H-2,5a-Methano-1-benzoxepin-7(8H)-one, 2,8-dibromo-2,5,9,9a-tetrahydro-5-hydroxy-5,8,10,10-tetramethyl-; NCI60_009905"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630425	.	.	.	.	408.12	C15H20Br2O3	46.5	531	2.6	20	1	3	0	"InChI=1S/C15H20Br2O3/c1-11(2)14-7-9(18)12(3,16)8-10(14)20-15(11,17)6-5-13(14,4)19/h5-6,10,19H,7-8H2,1-4H3"	CC1(C23CC(=O)C(CC2OC1(C=CC3(C)O)Br)(C)Br)C	KTTOHTLRYWHUSM-UHFFFAOYSA-N
DG53480	N-(9-Acridinylmethylene)-4-ethoxyaniline	364426	NSC630686; N-(9-Acridinylmethylene)-4-ethoxyaniline; 1-acridin-9-yl-N-(4-ethoxyphenyl)methanimine; CHEMBL2007528; NSC-630686; NCI60_009987; N-(9-Acridinylmethylene)-N-(4-ethoxyphenyl)amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630686	.	.	.	.	326.4	C22H18N2O	34.5	421	5.2	25	0	3	4	"InChI=1S/C22H18N2O/c1-2-25-17-13-11-16(12-14-17)23-15-20-18-7-3-5-9-21(18)24-22-10-6-4-8-19(20)22/h3-15H,2H2,1H3"	CCOC1=CC=C(C=C1)N=CC2=C3C=CC=CC3=NC4=CC=CC=C42	MGZADRFESIEWRI-UHFFFAOYSA-N
DG53481	"2,2'-Bithiophene-5-carbaldehyde"	364428	"3779-27-9; 2,2'-bithiophene-5-carbaldehyde; 2,2'-Bithiophene-5-carboxaldehyde; [2,2'-Bithiophene]-5-carbaldehyde; 2,2'-Bithienyl-5-carboxaldehyde; 2,2-Bithiophene-5-carboxaldehyde; [2,2'-Bithiophene]-5-carboxaldehyde; 5-Formyl-2,2'-bithiophene; 5-thiophen-2-ylthiophene-2-carbaldehyde; NSC630688; (2,2'-Bithiophene)-5-carboxaldehyde; MLS002702914; CHEMBL314090; 5-(2-thienyl)thiophene-2-carbaldehyde; 5-(thiophen-2-yl)thiophene-2-carbaldehyde; 5-formyl-2,2'bithiophene; NCIChal_000011; C9H6OS2; SCHEMBL223830; cid_364428; DTXSID70191237; ZINC158797; BDBM50071928; CCG-36213; GEO-00371; MFCD00052294; [2,2'']Bithiophenyl-5-carbaldehyde; 5-thiophen-2-ylthiophen-2-carbaldehyd; AKOS001612916; MCULE-6038228067; NSC-630688; QC-7527; {[2,2'-Bithiophene]-5-carboxaldehyde}; AC-27875; BP-12379; NCI60_009989; PS-11607; SMR001566729; 2,2'-Bithiophene-5-carboxaldehyde, 98%; 5-(Thien-2-yl)-thiophene-2-carboxaldehyde; DB-019606; 2,2\\'-BITHIOPHENE-5-CARBOXALDEHYDE; CS-0155520; FT-0609143; Thiophene-2-carboxaldehyde, 5-(2-thienyl)-; Y8922; A823875; W-200333"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630688	.	.	.	.	194.3	C9H6OS2	73.6	172	2.8	12	0	3	2	InChI=1S/C9H6OS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-6H	C1=CSC(=C1)C2=CC=C(S2)C=O	FYBWRAXKYXTOQC-UHFFFAOYSA-N
DG53482	Amchloramide	364434	Amchloramide; NSC630695; CHEMBL1967493; NSC-630695; 1-chloro-N-(2-dimethylaminoethyl)-9-(4-sulfamoylanilino)acridine-4-carboxamide; 9-(4-(Aminosulfonyl)anilino)-1-chloro-N-(2-(dimethylamino)ethyl)-4-acridinecarboxamide; NCI60_009994	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630695	.	.	.	.	498	C24H24ClN5O3S	126	799	3.6	34	3	7	7	"InChI=1S/C24H24ClN5O3S/c1-30(2)14-13-27-24(31)18-11-12-19(25)21-22(17-5-3-4-6-20(17)29-23(18)21)28-15-7-9-16(10-8-15)34(26,32)33/h3-12H,13-14H2,1-2H3,(H,27,31)(H,28,29)(H2,26,32,33)"	CN(C)CCNC(=O)C1=CC=C(C2=C(C3=CC=CC=C3N=C12)NC4=CC=C(C=C4)S(=O)(=O)N)Cl	NBJBYEWUDQCCEY-UHFFFAOYSA-N
DG53483	Amchlorguanidine	364435	Amchlorguanidine; NSC630696; CHEMBL1969680; NSC-630696; NCI60_009995; 9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-1-chloro-N-(2-(dimethylamino)ethyl)-4-acridinecarboxamide; 9-[4-(carbamimidoylsulfamoyl)anilino]-1-chloro-N-(2-dimethylaminoethyl)acridine-4-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630696	.	.	.	.	540	C25H26ClN7O3S	164	916	3.1	37	4	7	8	"InChI=1S/C25H26ClN7O3S/c1-33(2)14-13-29-24(34)18-11-12-19(26)21-22(17-5-3-4-6-20(17)31-23(18)21)30-15-7-9-16(10-8-15)37(35,36)32-25(27)28/h3-12H,13-14H2,1-2H3,(H,29,34)(H,30,31)(H4,27,28,32)"	CN(C)CCNC(=O)C1=CC=C(C2=C(C3=CC=CC=C3N=C12)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)Cl	GSVHSPKUXCMLES-UHFFFAOYSA-N
DG53484	Amchlordimidine	364436	"Amchlordimidine; NSC630697; CHEMBL1989201; NSC-630697; 1-chloro-N-(2-dimethylaminoethyl)-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide; NCI60_009996; 1-Chloro-N-(2-(dimethylamino)ethyl)-9-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-4-acridinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630697	.	.	.	.	604.1	C30H30ClN7O3S	138	995	5	42	3	9	9	"InChI=1S/C30H30ClN7O3S/c1-18-17-19(2)34-30(33-18)37-42(40,41)21-11-9-20(10-12-21)35-27-22-7-5-6-8-25(22)36-28-23(13-14-24(31)26(27)28)29(39)32-15-16-38(3)4/h5-14,17H,15-16H2,1-4H3,(H,32,39)(H,35,36)(H,33,34,37)"	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCN(C)C)Cl)C	ZPXXUTUFRQQFJK-UHFFFAOYSA-N
DG53485	Amchloroxazole	364437	"Amchloroxazole; NSC630698; CHEMBL1976138; NSC-630698; NCI60_009997; 1-chloro-N-(2-dimethylaminoethyl)-9-[4-[(5-methylisoxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxamide; 4-Acridinecarboxamide, 1-chloro-N-[2-(dimethylamino)ethyl]-9-[[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630698	.	.	.	.	579.1	C28H27ClN6O4S	138	959	4.7	40	3	9	9	"InChI=1S/C28H27ClN6O4S/c1-17-16-24(33-39-17)34-40(37,38)19-10-8-18(9-11-19)31-26-20-6-4-5-7-23(20)32-27-21(12-13-22(29)25(26)27)28(36)30-14-15-35(2)3/h4-13,16H,14-15H2,1-3H3,(H,30,36)(H,31,32)(H,33,34)"	CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCN(C)C)Cl	GZGVCWYDKIBYBG-UHFFFAOYSA-N
DG53486	Amilamide	364438	Amilamide; NSC630699; CHEMBL1979977; N-(2-dimethylaminoethyl)-9-(4-sulfamoylanilino)acridine-4-carboxamide; 9-(4-(Aminosulfonyl)anilino)-N-(2-(dimethylamino)ethyl)-4-acridinecarboxamide; NSC-630699; NCI60_009998	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630699	.	.	.	.	463.6	C24H25N5O3S	126	763	2.9	33	3	7	7	"InChI=1S/C24H25N5O3S/c1-29(2)15-14-26-24(30)20-8-5-7-19-22(18-6-3-4-9-21(18)28-23(19)20)27-16-10-12-17(13-11-16)33(25,31)32/h3-13H,14-15H2,1-2H3,(H,26,30)(H,27,28)(H2,25,31,32)"	CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC=C(C=C4)S(=O)(=O)N	NYGXRFGYCRYUOJ-UHFFFAOYSA-N
DG53487	Amiguanidine	364439	Amiguanidine; NSC630700; CHEMBL1988975; NSC-630700; 9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(2-(dimethylamino)ethyl)-4-acridinecarboxamide; NCI60_009999; 9-[4-(carbamimidoylsulfamoyl)anilino]-N-(2-dimethylaminoethyl)acridine-4-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630700	.	.	.	.	505.6	C25H27N7O3S	164	879	2.4	36	4	7	8	"InChI=1S/C25H27N7O3S/c1-32(2)15-14-28-24(33)20-8-5-7-19-22(18-6-3-4-9-21(18)30-23(19)20)29-16-10-12-17(13-11-16)36(34,35)31-25(26)27/h3-13H,14-15H2,1-2H3,(H,28,33)(H,29,30)(H4,26,27,31)"	CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N	SCZUITFXVHBLTM-UHFFFAOYSA-N
DG53488	Amidimidine	364440	"Amidimidine; NSC630701; CHEMBL2001827; NSC-630701; N-(2-dimethylaminoethyl)-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide; NCI60_010000; N-(2-(Dimethylamino)ethyl)-9-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-4-acridinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630701	.	.	.	.	569.7	C30H31N7O3S	138	958	4.3	41	3	9	9	"InChI=1S/C30H31N7O3S/c1-19-18-20(2)33-30(32-19)36-41(39,40)22-14-12-21(13-15-22)34-27-23-8-5-6-11-26(23)35-28-24(27)9-7-10-25(28)29(38)31-16-17-37(3)4/h5-15,18H,16-17H2,1-4H3,(H,31,38)(H,34,35)(H,32,33,36)"	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCN(C)C)C	OVLGKUCOUVDMIU-UHFFFAOYSA-N
DG53489	Amioxazole	364441	"Amioxazole; NSC630702; CHEMBL2007191; NSC-630702; NCI60_010001; 4-Acridinecarboxamide, N-[2-(dimethylamino)ethyl]-9-[[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]amino]-; N-(2-dimethylaminoethyl)-9-[4-[(5-methylisoxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630702	.	.	.	.	544.6	C28H28N6O4S	138	922	4.1	39	3	9	9	"InChI=1S/C28H28N6O4S/c1-18-17-25(32-38-18)33-39(36,37)20-13-11-19(12-14-20)30-26-21-7-4-5-10-24(21)31-27-22(26)8-6-9-23(27)28(35)29-15-16-34(2)3/h4-14,17H,15-16H2,1-3H3,(H,29,35)(H,30,31)(H,32,33)"	CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCN(C)C	MEPBXVRLHNVDKZ-UHFFFAOYSA-N
DG53490	Acridomide	364442	"Acridomide; NSC630703; 9-oxo-N-(4-sulfamoylphenyl)-10H-acridine-4-carboxamide; CHEMBL1966382; NSC-630703; NCI60_010002; N-(4-(Aminosulfonyl)phenyl)-9-oxo-9,10-dihydro-4-acridinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630703	.	.	.	.	393.4	C20H15N3O4S	127	712	2.4	28	3	6	3	"InChI=1S/C20H15N3O4S/c21-28(26,27)13-10-8-12(9-11-13)22-20(25)16-6-3-5-15-18(16)23-17-7-2-1-4-14(17)19(15)24/h1-11H,(H,22,25)(H,23,24)(H2,21,26,27)"	C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N	KUSJNKRLKPKICQ-UHFFFAOYSA-N
DG53491	Acridoguanidine	364443	"Acridoguanidine; NSC630704; CHEMBL1968796; ZINC31829829; NSC-630704; NCI60_010003; N-[4-(carbamimidoylsulfamoyl)phenyl]-9-oxo-10H-acridine-4-carboxamide; N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-oxo-9,10-dihydro-4-acridinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630704	.	.	.	.	435.5	C21H17N5O4S	165	827	1.9	31	4	6	4	"InChI=1S/C21H17N5O4S/c22-21(23)26-31(29,30)13-10-8-12(9-11-13)24-20(28)16-6-3-5-15-18(16)25-17-7-2-1-4-14(17)19(15)27/h1-11H,(H,24,28)(H,25,27)(H4,22,23,26)"	C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N	RSGQPVTWCUZOBU-UHFFFAOYSA-N
DG53492	Acridodimidine	364444	"Acridodimidine; NSC630705; CHEMBL1971090; NSC-630705; N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-oxo-10H-acridine-4-carboxamide; NCI60_010004; N-(4-(((4,6-Dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-9-oxo-9,10-dihydro-4-acridinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630705	.	.	.	.	499.5	C26H21N5O4S	139	906	3.7	36	3	8	5	"InChI=1S/C26H21N5O4S/c1-15-14-16(2)28-26(27-15)31-36(34,35)18-12-10-17(11-13-18)29-25(33)21-8-5-7-20-23(21)30-22-9-4-3-6-19(22)24(20)32/h3-14H,1-2H3,(H,29,33)(H,30,32)(H,27,28,31)"	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3NC5=CC=CC=C5C4=O)C	WLODZVNZJYFSJJ-UHFFFAOYSA-N
DG53493	Toluacrone	364451	"Toluacrone; NSC630712; CHEMBL1971891; 2-Oxo-2-(4-toluidino)ethyl 9-oxo-9,10-dihydro-4-acridinecarboxylate; NSC-630712; NCI60_010011; [2-(4-methylanilino)-2-oxo-ethyl] 9-oxo-10H-acridine-4-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630712	.	.	.	.	386.4	C23H18N2O4	84.5	628	4.1	29	2	5	5	"InChI=1S/C23H18N2O4/c1-14-9-11-15(12-10-14)24-20(26)13-29-23(28)18-7-4-6-17-21(18)25-19-8-3-2-5-16(19)22(17)27/h2-12H,13H2,1H3,(H,24,26)(H,25,27)"	CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC3=C2NC4=CC=CC=C4C3=O	HJGAIMRDMOLJIF-UHFFFAOYSA-N
DG53494	Nilacrone	364456	"Nilacrone; NSC630717; CHEMBL1987969; [2-oxo-2-(4-sulfamoylanilino)ethyl] 9-oxo-10H-acridine-4-carboxylate; NSC-630717; 2-(4-(Aminosulfonyl)anilino)-2-oxoethyl 9-oxo-9,10-dihydro-4-acridinecarboxylate; NCI60_010016"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630717	.	.	.	.	451.5	C22H17N3O6S	153	833	2.3	32	3	8	6	"InChI=1S/C22H17N3O6S/c23-32(29,30)14-10-8-13(9-11-14)24-19(26)12-31-22(28)17-6-3-5-16-20(17)25-18-7-2-1-4-15(18)21(16)27/h1-11H,12H2,(H,24,26)(H,25,27)(H2,23,29,30)"	C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N	YRSBZVVBNPSBBM-UHFFFAOYSA-N
DG53495	N-1-Adamantyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide	364463	NSC630724; CHEMBL1970301; N-1-Adamantyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide; ZINC5889808; NSC-630724; NCI60_010023; N-(1-adamantyl)-2-(5-chloro-1H-indol-3-yl)-2-oxo-acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630724	.	.	.	.	356.8	C20H21ClN2O2	62	551	4.5	25	2	2	3	"InChI=1S/C20H21ClN2O2/c21-14-1-2-17-15(6-14)16(10-22-17)18(24)19(25)23-20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,10-13,22H,3-5,7-9H2,(H,23,25)"	C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)C4=CNC5=C4C=C(C=C5)Cl	SCSXLINWYJSKFC-UHFFFAOYSA-N
DG53496	"[4,5-Diacetoxy-6-[(5-butanoyl-2-methoxy-1-methyl-6-oxo-pyrimidin-4-yl)amino]oxy-tetrahydropyran-3-yl] acetate"	364477	"NSC630809; CHEMBL2005776; NSC-630809; NCI60_010038; [4,5-diacetoxy-6-[(5-butanoyl-2-methoxy-1-methyl-6-oxo-pyrimidin-4-yl)amino]oxy-tetrahydropyran-3-yl] acetate; Pentopyranose, 1-O-[[1,6-dihydro-2-methoxy-1-methyl-6-oxo-5-(1-oxobutyl)-4-pyrimidinyl]amino]-, 2,3,4-triacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630809	.	.	.	.	499.5	C21H29N3O11	168	930	1	35	1	13	13	"InChI=1S/C21H29N3O11/c1-7-8-13(28)15-18(22-21(30-6)24(5)19(15)29)23-35-20-17(34-12(4)27)16(33-11(3)26)14(9-31-20)32-10(2)25/h14,16-17,20,23H,7-9H2,1-6H3"	CCCC(=O)C1=C(N=C(N(C1=O)C)OC)NOC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C	MIWILUDNKQJDRY-UHFFFAOYSA-N
DG53497	"[3,4,5-Triacetoxy-6-[(5-butanoyl-2-methoxy-1-methyl-6-oxo-pyrimidin-4-yl)amino]oxy-tetrahydropyran-2-yl]methyl acetate"	364478	"NSC630810; CHEMBL1977540; NSC-630810; NCI60_010039; [3,4,5-triacetoxy-6-[(5-butanoyl-2-methoxy-1-methyl-6-oxo-pyrimidin-4-yl)amino]oxy-tetrahydropyran-2-yl]methyl acetate; Hexopyranose, 1-O-[[1,6-dihydro-2-methoxy-1-methyl-6-oxo-5-(1-oxobutyl)-4-pyrimidinyl]amino]-, 2,3,4,6-tetraacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630810	.	.	.	.	571.5	C24H33N3O13	195	1090	1	40	1	15	16	"InChI=1S/C24H33N3O13/c1-8-9-15(32)17-21(25-24(34-7)27(6)22(17)33)26-40-23-20(38-14(5)31)19(37-13(4)30)18(36-12(3)29)16(39-23)10-35-11(2)28/h16,18-20,23,26H,8-10H2,1-7H3"	CCCC(=O)C1=C(N=C(N(C1=O)C)OC)NOC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	VJIFLAWTZIQOLB-UHFFFAOYSA-N
DG53498	Tetra(4-methoxyphenol)tin	364483	tetra(4-methoxyphenol)tin; NSC630823; SCHEMBL11322165; DTXSID60327088; NSC-630823; 38178-34-6; NCI60_010043	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630823	.	.	.	.	547.2	C28H28O4Sn	36.9	453	.	33	0	4	8	"InChI=1S/4C7H7O.Sn/c4*1-8-7-5-3-2-4-6-7;/h4*3-6H,1H3;"	COC1=CC=C(C=C1)[Sn](C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC	GOCMMWUJTFRWGG-UHFFFAOYSA-N
DG53499	Tetra(4-dimethylaminophenyl)tin	364486	tetra(4-dimethylaminophenyl)tin; NSC630825; NSC-630825; NCI60_010045	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630825	.	.	.	.	599.4	C32H40N4Sn	13	545	.	37	0	4	8	"InChI=1S/4C8H10N.Sn/c4*1-9(2)8-6-4-3-5-7-8;/h4*4-7H,1-2H3;"	CN(C)C1=CC=C(C=C1)[Sn](C2=CC=C(C=C2)N(C)C)(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C	OWPSKSWQLAZFEJ-UHFFFAOYSA-N
DG53500	"[5-(1,2-Dihydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] butanoate"	364487	"NSC630832; 1,2-O-Isopropylidene-.alpha.-D-glucofuranose-3-O-butyrate; CHEMBL106540; NSC-630832; [5-(1,2-dihydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] butanoate; NCI60_010046; 3-O-Butyryl-1,2-O-(1-methylethylidene)hexofuranose"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630832	.	.	.	.	290.31	C13H22O7	94.4	357	-0.2	20	2	7	6	"InChI=1S/C13H22O7/c1-4-5-8(16)17-10-9(7(15)6-14)18-12-11(10)19-13(2,3)20-12/h7,9-12,14-15H,4-6H2,1-3H3"	CCCC(=O)OC1C2C(OC1C(CO)O)OC(O2)(C)C	WFVFQUPBGWFLMB-UHFFFAOYSA-N
DG53501	3-morpholino-N-phenyl-4-(2-pyridinyl)-1H-pyrazole-1-carboxamide	364494	"NSC630876; 3-morpholino-N-phenyl-4-(2-pyridinyl)-1H-pyrazole-1-carboxamide; 303995-18-8; 3-(morpholin-4-yl)-N-phenyl-4-(pyridin-2-yl)-1H-pyrazole-1-carboxamide; MLS000694690; CHEMBL1482021; HMS2593K17; HMS3381G16; 3-morpholin-4-yl-N-phenyl-4-pyridin-2-ylpyrazole-1-carboxamide; ZINC1395579; 1H-Pyrazole-1-carboxamide, 3-(4-morpholinyl)-N-phenyl-4-(2-pyridinyl)-; AKOS005079661; MCULE-5632609034; NSC-630876; NCI60_010053; SMR000333004; 12B-019; 3-morpholino-N-phenyl-4-(2-pyridyl)pyrazole-1-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630876	.	.	.	.	349.4	C19H19N5O2	72.3	465	2.2	26	1	5	3	"InChI=1S/C19H19N5O2/c25-19(21-15-6-2-1-3-7-15)24-14-16(17-8-4-5-9-20-17)18(22-24)23-10-12-26-13-11-23/h1-9,14H,10-13H2,(H,21,25)"	C1COCCN1C2=NN(C=C2C3=CC=CC=N3)C(=O)NC4=CC=CC=C4	LEOOHNYLFORDAR-UHFFFAOYSA-N
DG53502	"N~3~,N~5~-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(1-naphthyl)-1,4-dihydro-3,5-pyridinedicarboxamide"	364526	"NSC630912; CHEMBL1992770; ZINC623190; NSC-630912; NCI60_010085; N~3~,N~5~-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(1-naphthyl)-1,4-dihydro-3,5-pyridinedicarboxamide; N3,N5-bis(2-methoxyphenyl)-2,6-dimethyl-4-(1-naphthyl)-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630912	.	.	.	.	533.6	C33H31N3O4	88.7	930	5.7	40	3	5	7	"InChI=1S/C33H31N3O4/c1-20-29(32(37)35-25-16-7-9-18-27(25)39-3)31(24-15-11-13-22-12-5-6-14-23(22)24)30(21(2)34-20)33(38)36-26-17-8-10-19-28(26)40-4/h5-19,31,34H,1-4H3,(H,35,37)(H,36,38)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=CC4=CC=CC=C43)C(=O)NC5=CC=CC=C5OC	PIICTFYSKMHNAZ-UHFFFAOYSA-N
DG53503	Isopropyl 5-[benzyl(2-methoxybenzoyl)amino]-2-chlorobenzoate	364531	NSC630922; UC800; Isopropyl 5-[benzyl(2-methoxybenzoyl)amino]-2-chlorobenzoate; CHEMBL1990154; ZINC1620891; UC 800; UC-800; NSC-630922; NCI60_010089; isopropyl 5-[benzyl-(2-methoxybenzoyl)amino]-2-chloro-benzoate; 1-Methylethyl-2-chloro-5-[N-(phenylmethyl)- (2-methoxybenzoyl)-amino]benzoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630922	.	.	.	.	437.9	C25H24ClNO4	55.8	592	5.7	31	0	4	8	"InChI=1S/C25H24ClNO4/c1-17(2)31-25(29)21-15-19(13-14-22(21)26)27(16-18-9-5-4-6-10-18)24(28)20-11-7-8-12-23(20)30-3/h4-15,17H,16H2,1-3H3"	CC(C)OC(=O)C1=C(C=CC(=C1)N(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3OC)Cl	ZQKUDMQDTFZXKI-UHFFFAOYSA-N
DG53504	"5-(Dimethylamino)-2-((isopropylsulfonyl)oxy)-1H-isoindole-1,3(2H)-dione"	364534	"NSC630956; CHEMBL148679; 5-(Dimethylamino)-2-((isopropylsulfonyl)oxy)-1H-isoindole-1,3(2H)-dione; NSC-630956; NCI60_010092; [5-(dimethylamino)-1,3-dioxo-isoindolin-2-yl] propane-2-sulfonate; 1H-Isoindole-1, 5-(dimethylamino)-, 2-[[(1-methylethyl)sulfonyl)oxy]-; 1H-Isoindole-1,3(2H)-dione, 5-(dimethylamino)-, {2-[[(1-methylethyl)sulfonyl)oxy]-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630956	.	.	.	.	312.34	C13H16N2O5S	92.4	537	2.4	21	0	6	4	"InChI=1S/C13H16N2O5S/c1-8(2)21(18,19)20-15-12(16)10-6-5-9(14(3)4)7-11(10)13(15)17/h5-8H,1-4H3"	CC(C)S(=O)(=O)ON1C(=O)C2=C(C1=O)C=C(C=C2)N(C)C	XXQKIOMUHMJYFB-UHFFFAOYSA-N
DG53505	"methyl 1-benzamido-7a-hydroxy-2,3a-dimethyl-4-oxo-6,7-dihydro-5H-indole-3-carboxylate"	364553	NSC630973; CHEMBL2001768; NSC-630973; NCI60_010104	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630973	.	.	.	.	358.4	C19H22N2O5	95.9	667	1.6	26	2	6	4	"InChI=1S/C19H22N2O5/c1-12-15(17(24)26-3)18(2)14(22)10-7-11-19(18,25)21(12)20-16(23)13-8-5-4-6-9-13/h4-6,8-9,25H,7,10-11H2,1-3H3,(H,20,23)"	CC1=C(C2(C(=O)CCCC2(N1NC(=O)C3=CC=CC=C3)O)C)C(=O)OC	OYOIYPBQLFGPDI-UHFFFAOYSA-N
DG53506	"Methyl 2-(carbamoylamino)-1-hydroxy-1,3-dimethyl-6-oxo-7-oxa-2-azaspiro[4.4]non-3-ene-4-carboxylate"	364555	NSC630975; CHEMBL1974227; NSC-630975; NCI60_010106	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630975	.	.	.	.	299.28	C12H17N3O6	131	559	-1	21	3	7	3	"InChI=1S/C12H17N3O6/c1-6-7(8(16)20-3)12(4-5-21-9(12)17)11(2,19)15(6)14-10(13)18/h19H,4-5H2,1-3H3,(H3,13,14,18)"	CC1=C(C2(CCOC2=O)C(N1NC(=O)N)(C)O)C(=O)OC	LCRYSXFUVYHJIP-UHFFFAOYSA-N
DG53507	"Methyl 2-benzamido-1-hydroxy-1,3-dimethyl-6-oxo-7-oxa-2-azaspiro[4.4]non-3-ene-4-carboxylate"	364556	NSC630976; CHEMBL2002873; NSC-630976; NCI60_010107	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630976	.	.	.	.	360.4	C18H20N2O6	105	669	1.2	26	2	7	4	"InChI=1S/C18H20N2O6/c1-11-13(15(22)25-3)18(9-10-26-16(18)23)17(2,24)20(11)19-14(21)12-7-5-4-6-8-12/h4-8,24H,9-10H2,1-3H3,(H,19,21)"	CC1=C(C2(CCOC2=O)C(N1NC(=O)C3=CC=CC=C3)(C)O)C(=O)OC	VZSAHIHZJOKJCJ-UHFFFAOYSA-N
DG53508	"3a-O-ethyl 3-O-methyl 1-benzamido-6a-hydroxy-2-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate"	364558	NSC630978; CHEMBL1986484; NSC-630978; NCI60_010109	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630978	.	.	.	.	388.4	C20H24N2O6	105	699	2.5	28	2	7	7	"InChI=1S/C20H24N2O6/c1-4-28-18(25)19-11-8-12-20(19,26)22(13(2)15(19)17(24)27-3)21-16(23)14-9-6-5-7-10-14/h5-7,9-10,26H,4,8,11-12H2,1-3H3,(H,21,23)"	CCOC(=O)C12CCCC1(N(C(=C2C(=O)OC)C)NC(=O)C3=CC=CC=C3)O	XHBPERJERGDTEZ-UHFFFAOYSA-N
DG53509	"Triethyl 6a-amino-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate"	364562	NSC630982; CHEMBL1995880; NSC-630982; NCI60_010113	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630982	.	.	.	.	635.7	C31H37N7O8	194	1190	3.2	46	5	11	13	"InChI=1S/C31H37N7O8/c1-6-44-25(39)23-19(4)37(35-28(42)33-21-15-11-9-12-16-21)31(32)30(23,27(41)46-8-3)24(26(40)45-7-2)20(5)38(31)36-29(43)34-22-17-13-10-14-18-22/h9-18H,6-8,32H2,1-5H3,(H2,33,35,42)(H2,34,36,43)"	CCOC(=O)C1=C(N(C2(C1(C(=C(N2NC(=O)NC3=CC=CC=C3)C)C(=O)OCC)C(=O)OCC)N)NC(=O)NC4=CC=CC=C4)C	VPXBDLLKSQEKCV-UHFFFAOYSA-N
DG53510	"Dimethyl 6a-amino-3a-cyano-1,6-bis(methoxycarbonylamino)-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,4-dicarboxylate"	364565	NSC630985; CHEMBL1990278; ZINC31829838; NSC-630985; NCI60_010116	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630985	.	.	.	.	438.4	C17H22N6O8	186	899	0	31	3	12	8	"InChI=1S/C17H22N6O8/c1-8-10(12(24)28-3)16(7-18)11(13(25)29-4)9(2)23(21-15(27)31-6)17(16,19)22(8)20-14(26)30-5/h19H2,1-6H3,(H,20,26)(H,21,27)"	CC1=C(C2(C(=C(N(C2(N1NC(=O)OC)N)NC(=O)OC)C)C(=O)OC)C#N)C(=O)OC	IBLURSXSSOWVCQ-UHFFFAOYSA-N
DG53511	"4-Androsteno[3,17-beta-diol"	364574	"NSC631061; CHEMBL1989134; 4-Androsteno[3,17-.beta.-diol; NSC-631061; NCI60_010132"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631061	.	.	.	.	329.4	C20H27NO3	66.5	589	3.3	24	2	4	0	"InChI=1S/C20H27NO3/c1-19-8-7-14-12(13(19)5-6-16(19)22)3-4-15-18(23)17-11(10-24-21-17)9-20(14,15)2/h10,12-14,16,22-23H,3-9H2,1-2H3/t12-,13 ,14 ,16-,19-,20+/m0/s1"	C[C@]12CCC3[C@H](C1CC[C@@H]2O)CCC4=C(C5=NOC=C5C[C@]34C)O	YOGRZKPYNPSDSH-SSPHLBEYSA-N
DG53512	"17-Aza-D-homo-5beta-androstano[3,2',5'-oxadiazole-17-one"	364576	"NSC631063; CHEMBL1970982; NSC-631063; NCI60_010134; 17-Aza-D-homo-5.beta.-androstano[3,2',5'- oxadiazole-17-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631063	.	.	.	.	329.4	C19H27N3O2	68	555	2.5	24	1	4	0	"InChI=1S/C19H27N3O2/c1-18-9-8-15-17(22-24-21-15)14(18)4-3-11-12(18)7-10-19(2)13(11)5-6-16(23)20-19/h11-14H,3-10H2,1-2H3,(H,20,23)/t11-,12 ,13 ,14-,18-,19+/m1/s1"	C[C@]12CCC3=NON=C3[C@H]1CC[C@@H]4C2CC[C@]5(C4CCC(=O)N5)C	YEHQORIKHMVXGR-AIAOSMENSA-N
DG53513	4-Hydroxy-17a-Methyl-17a-aza-D-homo-4-androsten-3-one	364580	NSC631067; 4-Hydroxy-17a-Methyl-17a-aza-D-homo-4-androsten-3-one; CHEMBL1993914; NSC-631067; NCI60_010136	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631067	.	.	.	.	317.5	C20H31NO2	40.5	568	3.3	23	1	3	0	"InChI=1S/C20H31NO2/c1-19-10-9-17(22)18(23)16(19)7-6-13-14(19)8-11-20(2)15(13)5-4-12-21(20)3/h13-15,23H,4-12H2,1-3H3/t13-,14 ,15 ,19-,20+/m1/s1"	C[C@]12CCC(=O)C(=C1CC[C@@H]3C2CC[C@]4(C3CCCN4C)C)O	LPGUUEFSUWHOPN-BYSVNXKBSA-N
DG53514	"17-beta-Hydroxy-5-alpha-androstano[2,3-d]pyrazol-4-one"	364583	"NSC631070; CHEMBL1968351; NSC-631070; NCI60_010139; 17-.beta.-Hydroxy-5-.alpha.-androstano[2,3-d]pyrazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631070	.	.	.	.	328.4	C20H28N2O2	66	566	3.6	24	2	3	0	"InChI=1S/C20H28N2O2/c1-19-8-7-14-12(13(19)5-6-16(19)23)3-4-15-18(24)17-11(10-21-22-17)9-20(14,15)2/h10,12-16,23H,3-9H2,1-2H3,(H,21,22)/t12-,13 ,14 ,15 ,16-,19-,20+/m0/s1"	C[C@]12CCC3[C@H](C1CC[C@@H]2O)CCC4[C@@]3(CC5=C(C4=O)NN=C5)C	BPEDWBXBKASWAM-IZJGNNBHSA-N
DG53515	"1-Adamantanamine, N-[(2-bromophenyl)methylene]-"	364586	"NSC631076; N-(1-adamantyl)-1-(2-bromophenyl)methanimine; 1-Adamantanamine, N-[(2-bromophenyl)methylene]-; CHEMBL1980451; ZINC102922660; ZINC104282681; NSC-631076; N-(2-Bromobenzylidene)-1-adamantanamine; N-(2-Bromobenzylidene)adamantan-1-amine; NCI60_010144; N-(1-Adamantyl)-N-(2-bromobenzylidene)amine; 1-Adamantanamine, {N-[(2-bromophenyl)methylene]-}; Tricyclo[3.3.1.1(3, N-[(2-bromophenyl)-methylene]-; {Tricyclo[3.3.1.1(3,7)]decan-1-amine,} {N-[(2-bromophenyl)-methylene]-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631076	.	.	.	.	318.3	C17H20BrN	12.4	334	4.8	19	0	1	2	"InChI=1S/C17H20BrN/c18-16-4-2-1-3-15(16)11-19-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,11-14H,5-10H2"	C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4Br	FXTQHBZNLJFKPZ-UHFFFAOYSA-N
DG53516	N-(1-Adamantyl)-N-(2-(trifluoromethyl)benzylidene)amine	364596	NSC631086; CHEMBL2007295; N-(1-adamantyl)-1-[2-(trifluoromethyl)phenyl]methanimine; N-(1-Adamantyl)-N-(2-(trifluoromethyl)benzylidene)amine; ZINC17777802; ZINC104282731; NSC-631086; NCI60_010154; N-(2-(Trifluoromethyl)benzylidene)-1-adamantanamine; N-[2-(Trifluoromethyl)benzylidene]adamantan-1-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631086	.	.	.	.	307.4	C18H20F3N	12.4	413	5	22	0	4	2	"InChI=1S/C18H20F3N/c19-18(20,21)16-4-2-1-3-15(16)11-22-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,11-14H,5-10H2"	C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4C(F)(F)F	RUJYCLYAUYIMSU-UHFFFAOYSA-N
DG53517	2-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-benzimidazole	364601	NSC631129; 2-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-benzimidazole; Oprea1_070311; MLS001049308; CHEMBL329836; ZINC68596; HMS2795E17; STK070014; AKOS005389962; MCULE-8355982422; NSC-631129; 18383-84-1; NCI60_010158; SMR000427367; EU-0018393; SR-01000519943; SR-01000519943-1; 2-(3-Methyl-5-nitro-3H-imidazol-4-ylthio)-1H-benzimidazole; 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-benzimidazole; 2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole; 2-((4-(Hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)-1H-benzimidazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631129	.	.	.	.	275.29	C11H9N5O2S	118	353	2.5	19	1	5	2	"InChI=1S/C11H9N5O2S/c1-15-6-12-9(16(17)18)10(15)19-11-13-7-4-2-3-5-8(7)14-11/h2-6H,1H3,(H,13,14)"	CN1C=NC(=C1SC2=NC3=CC=CC=C3N2)[N+](=O)[O-]	FSUBLVKGNQIAEM-UHFFFAOYSA-N
DG53518	5-methyl-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-benzimidazole	364602	"NSC631130; CHEMBL327362; ZINC12596337; AKOS033222778; MCULE-7504856566; NSC-631130; NCI60_010159; Z127088300; 2-(3-Methyl-5-nitro-3H-imidazol-4-ylthio)-5-methyl-1H-benzimidazole; 5-methyl-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-benzimidazole; 2-((4-(Hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)-5-methyl-1H-benzimidazole; 5-methyl-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-1,3-benzodiazole; 129555-58-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631130	.	.	.	.	289.32	C12H11N5O2S	118	379	2.8	20	1	5	2	"InChI=1S/C12H11N5O2S/c1-7-3-4-8-9(5-7)15-12(14-8)20-11-10(17(18)19)13-6-16(11)2/h3-6H,1-2H3,(H,14,15)"	CC1=CC2=C(C=C1)N=C(N2)SC3=C(N=CN3C)[N+](=O)[O-]	XHKQXEHCPHPPSO-UHFFFAOYSA-N
DG53519	6-chloro-5-fluoro-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-benzimidazole	364604	"NSC631132; CHEMBL94180; ZINC5504386; NSC-631132; NCI60_010161; 1H-Benzimidazole, 6-chloro-5-fluoro-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-; 2-(3-Methyl-5-nitro-3H-imidazol-4-ylthio)-5-fluoro-6-chloro-1H-benzimidazole; 6-chloro-5-fluoro-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631132	.	.	.	.	327.72	C11H7ClFN5O2S	118	417	3.2	21	1	6	2	"InChI=1S/C11H7ClFN5O2S/c1-17-4-14-9(18(19)20)10(17)21-11-15-7-2-5(12)6(13)3-8(7)16-11/h2-4H,1H3,(H,15,16)"	CN1C=NC(=C1SC2=NC3=CC(=C(C=C3N2)F)Cl)[N+](=O)[O-]	OFMFRGVLOPNLFM-UHFFFAOYSA-N
DG53520	"1H-Benzimidazole, 5,6-dimethoxy-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-"	364605	"NSC631133; 1H-Benzimidazole, 5,6-dimethoxy-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-; CHEMBL327833; ZINC13216972; NSC-631133; NCI60_010162; 2-(3-Methyl-5-nitro-3H-imidazol-4-ylthio)-5,6-dimethoxy-1H-benzimidazole; 5,6-dimethoxy-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631133	.	.	.	.	335.34	C13H13N5O4S	136	439	2.4	23	1	7	4	"InChI=1S/C13H13N5O4S/c1-17-6-14-11(18(19)20)12(17)23-13-15-7-4-9(21-2)10(22-3)5-8(7)16-13/h4-6H,1-3H3,(H,15,16)"	CN1C=NC(=C1SC2=NC3=CC(=C(C=C3N2)OC)OC)[N+](=O)[O-]	OGFOFSFYCAMQBV-UHFFFAOYSA-N
DG53521	"Benzoxazole, 2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-"	364608	"NSC631136; CHEMBL424434; Benzoxazole, 2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-; NSC-631136; NCI60_010165; 2-(3-Methyl-5-nitro-3H-imidazol-4-ylthio)benzoxazole; 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,3-benzoxazole; Benzoxazole, {2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-}; 2-((4-(Hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)-1,3-benzoxazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631136	.	.	.	.	276.27	C11H8N4O3S	115	353	2.8	19	0	6	2	"InChI=1S/C11H8N4O3S/c1-14-6-12-9(15(16)17)10(14)19-11-13-7-4-2-3-5-8(7)18-11/h2-6H,1H3"	CN1C=NC(=C1SC2=NC3=CC=CC=C3O2)[N+](=O)[O-]	JBINTOAIXBDCLY-UHFFFAOYSA-N
DG53522	"2-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1,3-benzothiazole"	364609	"NSC631137; 2-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1,3-benzothiazole; 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1,3-benzothiazole; 80890-05-7; CHEMBL91080; ZINC481414; AKOS008064537; MCULE-9321880745; NSC-631137; NCI60_010166; AJ-333/36116012; 2-(3-Methyl-5-nitro-3H-imidazol-4-ylthio)benzothiazole; Z127003036; 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,3-benzothiazole; 2-({4-nitro-1-methyl-1H-imidazol-5-yl}sulfanyl)-1,3-benzothiazole; 2-((4-(Hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)-1,3-benzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631137	.	.	.	.	292.3	C11H8N4O2S2	130	354	3.4	19	0	6	2	"InChI=1S/C11H8N4O2S2/c1-14-6-12-9(15(16)17)10(14)19-11-13-7-4-2-3-5-8(7)18-11/h2-6H,1H3"	CN1C=NC(=C1SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]	WVRCLOQDSRMFMU-UHFFFAOYSA-N
DG53523	"5-(3,5-Dimethylphenyl)sulfanyl-1-methyl-4-nitro-imidazole"	364611	"NSC631139; CHEMBL91132; ZINC130310; CCG-241457; MCULE-6598613880; NSC-631139; NCI60_010168; 1-Methyl-4-nitro-5-(3,5-dimethylphenylthio)-1H-imidazole; 5-(3,5-dimethylphenyl)sulfanyl-1-methyl-4-nitro-imidazole; 5-((3,5-Dimethylphenyl)thio)-4-(hydroxy(oxido)amino)-1-methyl-1H-imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631139	.	.	.	.	263.32	C12H13N3O2S	88.9	300	3.3	18	0	4	2	"InChI=1S/C12H13N3O2S/c1-8-4-9(2)6-10(5-8)18-12-11(15(16)17)13-7-14(12)3/h4-7H,1-3H3"	CC1=CC(=CC(=C1)SC2=C(N=CN2C)[N+](=O)[O-])C	NYMZIPJNYMQIAU-UHFFFAOYSA-N
DG53524	5-(3-Methyl-5-nitro-imidazol-4-yl)sulfanyl-1-phenyl-tetrazole	364620	"NSC631152; NCIMech_000492; CHEMBL1996620; CCG-35610; ZINC13146131; AKOS034720150; MCULE-4751245506; NSC-631152; NCI60_010176; SR-01000071660; SR-01000071660-1; Z94601998; 5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1-phenyl-tetrazole; 5-((4-(Hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)-1-phenyl-1H-tetraazole; 5-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1-phenyl-1H-1,2,3,4-tetrazole; 847836-94-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631152	.	.	.	.	303.3	C11H9N7O2S	133	376	2.2	21	0	7	3	"InChI=1S/C11H9N7O2S/c1-16-7-12-9(18(19)20)10(16)21-11-13-14-15-17(11)8-5-3-2-4-6-8/h2-7H,1H3"	CN1C=NC(=C1SC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]	QUODPUMWDDZXDG-UHFFFAOYSA-N
DG53525	"4-Methyl-3-[3-methyl-5-nitro-2-(4-nitrophenyl)imidazol-4-yl]sulfanyl-1,2,4-triazole"	364623	"NSC631157; CHEMBL2001130; ZINC13220265; NSC-631157; 4-methyl-3-[3-methyl-5-nitro-2-(4-nitrophenyl)imidazol-4-yl]sulfanyl-1,2,4-triazole; NCI60_010179; 3-((4-(Hydroxy(oxido)amino)-2-(4-(hydroxy(oxido)amino)phenyl)-1-methyl-1H-imidazol-5-yl)thio)-4-methyl-4H-1,2,4-triazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631157	.	.	.	.	361.34	C13H11N7O4S	166	508	1.9	25	0	8	3	"InChI=1S/C13H11N7O4S/c1-17-7-14-16-13(17)25-12-11(20(23)24)15-10(18(12)2)8-3-5-9(6-4-8)19(21)22/h3-7H,1-2H3"	CN1C=NN=C1SC2=C(N=C(N2C)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]	DIJODVLJKWVHJU-UHFFFAOYSA-N
DG53526	"3-(4-Chlorophenyl)-4-methyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,2,4-triazole"	364625	"NSC631159; CHEMBL1971178; ZINC1622268; NSC-631159; NCI60_010181; 3-(4-chlorophenyl)-4-methyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,2,4-triazole; 3-(4-Chlorophenyl)-5-((4-(hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)-4-methyl-4H-1,2,4-triazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631159	.	.	.	.	350.78	C13H11ClN6O2S	120	433	2.7	23	0	6	3	"InChI=1S/C13H11ClN6O2S/c1-18-7-15-11(20(21)22)12(18)23-13-17-16-10(19(13)2)8-3-5-9(14)6-4-8/h3-7H,1-2H3"	CN1C=NC(=C1SC2=NN=C(N2C)C3=CC=C(C=C3)Cl)[N+](=O)[O-]	XGUFJFGSOXKBJA-UHFFFAOYSA-N
DG53527	"3-(5-((4-(Hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)pyridine"	364626	"NSC631160; MLS000756762; NSC-631160; 3-(5-((4-(Hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)pyridine; NCIMech_000332; NCIStruc1_001624; NCIStruc2_001081; CHEMBL1437741; Pyridine,2,4-triazol-3-yl]-; SCHEMBL18556538; SCHEMBL18559216; HMS2884M21; ZINC1622269; CCG-35615; CCG-37091; NCGC00014943; NCI631160; 1,2,4-Triazole, {3-[(1-methyl-4-nitro-5-imidazolyl)thio]-} 5-(3-pyridinyl)-; NCGC00014943-02; NCGC00098043-01; NCI60_010182; SMR000529055; 1,2,4-Triazole, 3-[(1-methyl-4-nitro-5-imidazolyl)thio]- 5-(3-pyridinyl)-; 3-[4-methyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,2,4-triazol-3-yl]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631160	.	.	.	.	317.33	C12H11N7O2S	133	409	1	22	0	7	3	"InChI=1S/C12H11N7O2S/c1-17-7-14-10(19(20)21)11(17)22-12-16-15-9(18(12)2)8-4-3-5-13-6-8/h3-7H,1-2H3"	CN1C=NC(=C1SC2=NN=C(N2C)C3=CN=CC=C3)[N+](=O)[O-]	RNYWSASYWOAECU-UHFFFAOYSA-N
DG53528	"9-N-(N'-chloroethyl-N'-ethyl-1,4-diamino-butyl)2-methoxy acridine dihydrochloride"	364652	"NSC631197; 9-N-(N'-chloroethyl-N'-ethyl-1,4-diamino-butyl)2-methoxy acridine dihydrochloride; CHEMBL540849; NSC-631197"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631197	.	.	.	.	422.4	C22H29Cl2N3O	37.4	424	.	28	2	4	10	"InChI=1S/C22H28ClN3O.ClH/c1-3-26(15-12-23)14-7-6-13-24-22-18-8-4-5-9-20(18)25-21-11-10-17(27-2)16-19(21)22;/h4-5,8-11,16H,3,6-7,12-15H2,1-2H3,(H,24,25);1H"	CCN(CCCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl.Cl	IUYGRRZDUIAIQJ-UHFFFAOYSA-N
DG53529	"N'-(2-chloroethyl)-N'-ethyl-N-(2-methoxyacridin-9-yl)pentane-1,5-diamine"	364657	"NSC631199; 9-N(N'-chloroethyl-N'-ethyl-1,5-diaminopentyl)2-methoxy acridine dihydrochloride; CHEMBL1191216; SCHEMBL17423202; N'-(2-chloroethyl)-N'-ethyl-N-(2-methoxyacridin-9-yl)pentane-1,5-diamine; NCI60_010186; N-[5-[Ethyl(2-chloroethyl)amino]pentyl]-2-methoxy-9-acridinamine; N~1~-(2-Chloroethyl)-N~1~-ethyl-N~5~-(2-methoxy-9-acridinyl)-1,5-pentanediamine hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631199	.	.	.	.	400	C23H30ClN3O	37.4	438	5.5	28	1	4	11	"InChI=1S/C23H30ClN3O/c1-3-27(16-13-24)15-8-4-7-14-25-23-19-9-5-6-10-21(19)26-22-12-11-18(28-2)17-20(22)23/h5-6,9-12,17H,3-4,7-8,13-16H2,1-2H3,(H,25,26)"	CCN(CCCCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl	KWUNBVYUMOKZAY-UHFFFAOYSA-N
DG53530	"4-(2-Thienyl)-1,4,5,6,7,8-hexahydro-2H-3,1-benzothiazin-2-imine"	364669	"NSC631299; CHEMBL1968335; 4-(2-Thienyl)-1,4,5,6,7,8-hexahydro-2H-3,1-benzothiazin-2-imine; NSC-631299; NCI60_010197; 4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3,1-benzothiazin-2-imine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631299	.	.	.	.	250.4	C12H14N2S2	91.9	349	2.3	16	1	3	1	"InChI=1S/C12H14N2S2/c13-12-14-9-5-2-1-4-8(9)11(16-12)10-6-3-7-15-10/h3,6-7,11H,1-2,4-5H2,(H2,13,14)"	C1CCC2=C(C1)C(SC(=N2)N)C3=CC=CS3	QBDGMOKSCKAVCS-UHFFFAOYSA-N
DG53531	(2-(Diphenylphosphorothioyl)-1-methylene-2-propenyl)(diphenyl)phosphine sulfide	364688	NSC631340; CHEMBL1982585; NSC-631340; (2-(Diphenylphosphorothioyl)-1-methylene-2-propenyl)(diphenyl)phosphine sulfide; NCI60_010219; (2-diphenylphosphinothioyl-1-methylene-allyl)-diphenyl-thioxo-$l^{5}-phosphane	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631340	.	.	.	.	486.6	C28H24P2S2	64.2	637	9.1	32	0	2	7	"InChI=1S/C28H24P2S2/c1-23(29(31,25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(32,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22H,1-2H2"	C=C(C(=C)P(=S)(C1=CC=CC=C1)C2=CC=CC=C2)P(=S)(C3=CC=CC=C3)C4=CC=CC=C4	RYISNEUHVKGGBY-UHFFFAOYSA-N
DG53532	4-Bromo-1-((4-bromo-1H-pyrazol-1-yl)(4-chlorophenyl)methyl)-1H-pyrazole	364697	NSC631349; 4-Bromo-1-((4-bromo-1H-pyrazol-1-yl)(4-chlorophenyl)methyl)-1H-pyrazole; CHEMBL1970891; 4-bromo-1-[(4-bromopyrazol-1-yl)-(4-chlorophenyl)methyl]pyrazole; NSC-631349; NCI60_010228	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631349	.	.	.	.	416.5	C13H9Br2ClN4	35.6	308	4.1	20	0	2	3	"InChI=1S/C13H9Br2ClN4/c14-10-5-17-19(7-10)13(20-8-11(15)6-18-20)9-1-3-12(16)4-2-9/h1-8,13H"	C1=CC(=CC=C1C(N2C=C(C=N2)Br)N3C=C(C=N3)Br)Cl	XMKBCOCUWAOWQG-UHFFFAOYSA-N
DG53533	"5-[2-(4-Methoxyphenyl)Ethyl]-1,3-Dimethoxy Benzene"	364702	"CHEMBL467338; NSC631356; 3,4',5-Trimethoxybibenzyl; BDBM50346816; NSC-631356; NCI60_010233; 5-[2-(4-Methoxyphenyl)Ethyl]-1,3-Dimethoxy Benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631356	.	.	.	.	272.34	C17H20O3	27.7	249	4.1	20	0	3	6	"InChI=1S/C17H20O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h6-12H,4-5H2,1-3H3"	COC1=CC=C(C=C1)CCC2=CC(=CC(=C2)OC)OC	IMBWDLGZWDZTMN-UHFFFAOYSA-N
DG53534	"4-(3,4,5-Trimethoxyphenethyl)aniline"	364705	"CHEMBL86928; 4-(3,4,5-Trimethoxyphenethyl)aniline; 4-[2-(3,4,5-Trimethoxy-phenyl)-ethyl]-phenylamine; NSC631359; 110997-90-5; SCHEMBL6483085; DTXSID30327095; ZINC1622338; 4'-Amino-3,4,5-trimethoxybibenzyl; BDBM50322061; NSC-631359; NCI60_010236; 4-[2-(3,5-Trimethoxyphenyl)Ethyl]Aniline; 4-[2-(3,4,5-trimethoxy-phenyl)ethyl]-phenylamine; 1-(4-Aminophenyl)-2-(3,4,5-trimethoxyphenyl)ethane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631359	.	.	.	.	287.35	C17H21NO3	53.7	278	3	21	1	4	6	"InChI=1S/C17H21NO3/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h6-11H,4-5,18H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)CCC2=CC=C(C=C2)N	BPIQFCQFIYIISU-UHFFFAOYSA-N
DG53535	"5-[2-(4-Methoxyphenyl)ethyl]-1,2,3-trimethoxybenzene"	364708	"CHEMBL45348; MLS002702916; NSC631366; Neuro_000277; SCHEMBL663128; 3,4,4',5-Tetramethoxybibenzyl; ZINC1622344; BDBM50229496; NSC-631366; NCI60_010243; SMR001566731; 5-[2-(4-Methoxyphenyl)ethyl]-1,3-Trimethoxy Benzene; 5-[2-(4-METHOXYPHENYL)ETHYL]-1,2,3-TRIMETHOXYBENZENE; 5-[2-(4-METHOXYPHENYL)ETHYL]-1,3-TRIMETHOXYBENZENE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631366	.	.	.	.	302.4	C18H22O4	36.9	288	3.6	22	0	4	7	"InChI=1S/C18H22O4/c1-19-15-9-7-13(8-10-15)5-6-14-11-16(20-2)18(22-4)17(12-14)21-3/h7-12H,5-6H2,1-4H3"	COC1=CC=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC	AQBXGPHZDHQKJU-UHFFFAOYSA-N
DG53536	"N-(4-Methoxybenzyl)-3,4-dimethoxyaniline-hydrochloride"	364709	"NSC631367; CHEMBL1993890; N-(4-Methoxybenzyl)-3,4-dimethoxyaniline-hydrochloride; NSC-631367"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631367	.	.	.	.	309.79	C16H20ClNO3	39.7	254	.	21	2	4	6	"InChI=1S/C16H19NO3.ClH/c1-18-14-6-4-12(5-7-14)11-17-13-8-15(19-2)10-16(9-13)20-3;/h4-10,17H,11H2,1-3H3;1H"	COC1=CC=C(C=C1)CNC2=CC(=CC(=C2)OC)OC.Cl	SCXUDSSWOHULLT-UHFFFAOYSA-N
DG53537	"3,4,5-trimethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline"	364711	NSC631369; CHEMBL2004074; NSC-631369; NCI60_010246	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631369	.	.	.	.	317.4	C18H23NO4	49	319	3.7	23	1	5	7	"InChI=1S/C18H23NO4/c1-12(13-6-8-15(20-2)9-7-13)19-14-10-16(21-3)18(23-5)17(11-14)22-4/h6-12,19H,1-5H3"	CC(C1=CC=C(C=C1)OC)NC2=CC(=C(C(=C2)OC)OC)OC	AQKWATYTUZGXDX-UHFFFAOYSA-N
DG53538	"N-(3,5-Dimethoxybenzyl)-4-methoxyaniline"	364713	"CHEMBL87250; NSC631371; ZINC1622348; BDBM50229490; AKOS000241611; NSC-631371; NCI60_010248; N-(3,5-Dimethoxybenzyl)-4-methoxyaniline; 3,5-Dimethoxy-N-(4-methoxyphenyl)benzenemethanamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631371	.	.	.	.	273.33	C16H19NO3	39.7	254	3.3	20	1	4	6	"InChI=1S/C16H19NO3/c1-18-14-6-4-13(5-7-14)17-11-12-8-15(19-2)10-16(9-12)20-3/h4-10,17H,11H2,1-3H3"	COC1=CC=C(C=C1)NCC2=CC(=CC(=C2)OC)OC	QKPUNSNLZPVYMM-UHFFFAOYSA-N
DG53539	"3,5-Dimethoxy-N-(4-Methoxyphenyl)Benzamide"	364714	"3,5-Dimethoxy-N-(4-Methoxyphenyl)Benzamide; 134029-83-7; 3,5-Dimethoxy-N-(4-methoxy-phenyl)-benzamide; NSC631372; Oprea1_805498; CHEMBL89621; ZINC63124; STK164559; AKOS000649423; MCULE-9977086246; NSC-631372; NCI60_010249; 3,5-dimethoxy-N-(4-methoxyphenyl)-benzamide; 3,5-dimethoxy-N~1~-(4-methoxyphenyl)benzamide; AG-205/09951002; SR-01000515545; SR-01000515545-1; Z28139051"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631372	.	.	.	.	287.31	C16H17NO4	56.8	316	2.7	21	1	4	5	"InChI=1S/C16H17NO4/c1-19-13-6-4-12(5-7-13)17-16(18)11-8-14(20-2)10-15(9-11)21-3/h4-10H,1-3H3,(H,17,18)"	COC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)OC)OC	NGIDRYCBDLWOSR-UHFFFAOYSA-N
DG53540	"4-Methoxy-N-(3,4,5-trimethoxybenzyl)aniline"	364716	"4-Methoxy-N-(3,4,5-trimethoxybenzyl)aniline; NSC631374; CHEMBL86960; 134029-85-9; NSC648543; Neuro_000354; Oprea1_285605; 4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline; SCHEMBL9187840; DTXSID70158466; ZINC1511311; BDBM50009562; AKOS002633712; NSC-631374; NCI60_010251; NCI60_016852; N-(3,5-Trimethoxybenzyl)-4-methoxyaniline; 3,4,5-trimethoxy-N-(4-methoxyphenyl)benzylamine; (4-Methoxy-phenyl)-(3,4,5-trimethoxy-benzyl)-amine; 3,4,5-Trimethoxy-N-(4-methoxyphenyl)benzenemethanamine; N-(3,4,5-Trimethoxybenzyl)-4-methoxyaniline hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631374	.	.	.	.	303.35	C17H21NO4	49	293	3.3	22	1	5	7	"InChI=1S/C17H21NO4/c1-19-14-7-5-13(6-8-14)18-11-12-9-15(20-2)17(22-4)16(10-12)21-3/h5-10,18H,11H2,1-4H3"	COC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC	VZXKFUZYRHTORS-UHFFFAOYSA-N
DG53541	3-Ethyl-2-((4-methylphenyl)sulfonyl)-2-azabicyclo[2.2.2]oct-5-ene	364718	NSC631376; 3-Ethyl-2-((4-methylphenyl)sulfonyl)-2-azabicyclo[2.2.2]oct-5-ene; CHEMBL1977200; NSC-631376; NCI60_010253; 2-ethyl-3-(p-tolylsulfonyl)-3-azabicyclo[2.2.2]oct-5-ene	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631376	.	.	.	.	291.4	C16H21NO2S	45.8	471	3.4	20	0	3	3	"InChI=1S/C16H21NO2S/c1-3-16-13-6-8-14(9-7-13)17(16)20(18,19)15-10-4-12(2)5-11-15/h4-6,8,10-11,13-14,16H,3,7,9H2,1-2H3"	CCC1C2CCC(N1S(=O)(=O)C3=CC=C(C=C3)C)C=C2	VUNDHLBRNALYJS-UHFFFAOYSA-N
DG53542	"methyl 2-(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)acetate"	364721	"NSC631379; Methyl (4-cyano-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazol-3-yl)acetate; CHEMBL2001949; ZINC1622354; methyl 2-(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)acetate; STK789452; AKOS001727708; MCULE-7487263925; NSC-631379; NCI60_010256; methyl 2-(4-cyano-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-3-yl)acetate; Pyrido[1,2-a][1,3]benzimidazole-3-acetic acid, 4-cyano-1,5-dihydro-1-oxo-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631379	.	.	.	.	281.27	C15H11N3O3	82.4	611	0.6	21	1	5	3	"InChI=1S/C15H11N3O3/c1-21-14(20)7-9-6-13(19)18-12-5-3-2-4-11(12)17-15(18)10(9)8-16/h2-6,17H,7H2,1H3"	COC(=O)CC1=CC(=O)N2C3=CC=CC=C3NC2=C1C#N	QUKLZYRIMJLIOL-UHFFFAOYSA-N
DG53543	"5-Methyl-11-oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile"	364723	"NSC631381; 5-Methyl-11-oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile; Oprea1_695549; CHEMBL1996488; ZINC1622356; MCULE-7895159877; NSC-631381; 5-methyl-11-oxo-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile; NCI60_010258; AO-476/40672106"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631381	.	.	.	.	277.32	C17H15N3O	47.3	621	2.3	21	0	3	0	"InChI=1S/C17H15N3O/c1-19-14-8-4-5-9-15(14)20-16(19)13(10-18)11-6-2-3-7-12(11)17(20)21/h4-5,8-9H,2-3,6-7H2,1H3"	CN1C2=CC=CC=C2N3C1=C(C4=C(C3=O)CCCC4)C#N	UATCTFMTNNUUMP-UHFFFAOYSA-N
DG53544	"11-Chloro-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile"	364724	"11-Chloro-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile; 163080-53-3; 11-chloro-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile; NSC631382; 11-Chloro-7,8,9,10-tetrahydrobenzo[4,5]imidazo[1,2-b]isoquinoline-6-carbonitrile; 11-CHLORO-7,8,9,10-TETRAHYDROBENZIMIDAZO(1,2-B)ISOQUINOLINE-6-CARBONITRILE; Benzimidazo[1,2-b]isoquinoline-6-carbonitrile, 11-chloro-7,8,9,10-tetrahydro-; Oprea1_090081; Oprea1_134906; CHEMBL1887025; ZINC308228; ALBB-024940; MFCD01038483; STK108949; AKOS000276311; MCULE-7398692429; NSC-631382; 11-chloro-7,8,9,10,12-pentahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitril e; NCGC00167409-01; LS-08277; NCI60_010259; CS-0315128; 6,7,8,9-Tetrahydro-4b,11-diaza-5-chloro-4bH-benzo[b]fluorene-10-carbonitrile; 9-CHLORO-10,17-DIAZATETRACYCLO[8.7.0.0(3), .0(1)(1),(1) ]HEPTADECA-1(17),2,8,11,13,15-HEXAENE-2-CARBONITRILE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631382	.	.	.	.	281.74	C16H12ClN3	41.1	431	5.2	20	0	2	0	"InChI=1S/C16H12ClN3/c17-15-11-6-2-1-5-10(11)12(9-18)16-19-13-7-3-4-8-14(13)20(15)16/h3-4,7-8H,1-2,5-6H2"	C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)Cl	LIBJDHFUUQBZDC-UHFFFAOYSA-N
DG53545	"11-((Triphenylphosphoranylidene)amino)-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile"	364726	"NSC631384; 11-((Triphenylphosphoranylidene)amino)-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile; CHEMBL1975382; NSC-631384; NCI60_010261; 11-[(triphenyl-$l^{5}-phosphanylidene)amino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile; 6,7,8,9-Tetrahydro-4b,11-diaza-5-[(triphenylphosphoranylidene)amino]-4bH-benzo[b]fluorene-10-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631384	.	.	.	.	522.6	C34H27N4P	53.4	884	9.2	39	0	3	4	"InChI=1S/C34H27N4P/c35-24-30-28-20-10-11-21-29(28)34(38-32-23-13-12-22-31(32)36-33(30)38)37-39(25-14-4-1-5-15-25,26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-9,12-19,22-23H,10-11,20-21H2"	C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)N=P(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7	GJWJNMAQFUCYBQ-UHFFFAOYSA-N
DG53546	"(7H-Pyrido[4,3-c]carbazol-6-yl)methyl methylcarbamate"	364733	"121268-89-1; 7H-Pyrido[4,3-c]carbazole-6-methanol,methylcarbamate (ester) (9CI); (7H-Pyrido[4,3-c]carbazol-6-yl)methyl methylcarbamate; NSC631391; 7H-pyrido[4,3-c]carbazol-6-ylmethyl N-methylcarbamate; CHEMBL1996058; DTXSID90327096; 7H-Pyrido[4,methylcarbamate (ester); NSC-631391; NCI60_010268; Carbamic acid, (7H-Pyrido[4,3-c]carbazol-6-yl) methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631391	.	.	.	.	305.3	C18H15N3O2	67	444	3.1	23	2	3	3	"InChI=1S/C18H15N3O2/c1-19-18(22)23-10-12-8-11-6-7-20-9-14(11)16-13-4-2-3-5-15(13)21-17(12)16/h2-9,21H,10H2,1H3,(H,19,22)"	CNC(=O)OCC1=C2C(=C3C=NC=CC3=C1)C4=CC=CC=C4N2	PJIHPQGCZPTWGM-UHFFFAOYSA-N
DG53547	"Methylcarbamic acid (9-methoxy-11-methyl-6H-pyrido[4,3-b]carbazol-5-yl)methyl ester"	364734	"NSC631392; CHEMBL142232; NSC-631392; NCI60_010269; Methylcarbamic acid (9-methoxy-11-methyl-6H-pyrido[4,3-b]carbazol-5-yl)methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631392	.	.	.	.	349.4	C20H19N3O3	76.2	517	3.9	26	2	4	4	"InChI=1S/C20H19N3O3/c1-11-15-9-22-7-6-13(15)16(10-26-20(24)21-2)19-18(11)14-8-12(25-3)4-5-17(14)23-19/h4-9,23H,10H2,1-3H3,(H,21,24)"	CC1=C2C=NC=CC2=C(C3=C1C4=C(N3)C=CC(=C4)OC)COC(=O)NC	KCKJVLUFUWEYGI-UHFFFAOYSA-N
DG53548	"Methylcarbamic acid (9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)methyl ester"	364735	"NSC631393; CHEMBL144606; SCHEMBL9679546; NSC-631393; NCI60_010270; Methylcarbamic acid (9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631393	.	.	.	.	349.4	C20H19N3O3	72	788	2.9	26	2	5	4	"InChI=1S/C20H19N3O3/c1-11-13-6-7-22-18(10-26-20(24)21-2)15(13)9-16-14-8-12(25-3)4-5-17(14)23-19(11)16/h4-9,22H,10H2,1-3H3,(H,21,24)"	CC1=C2C=CNC(=C2C=C3C1=NC4=C3C=C(C=C4)OC)COC(=O)NC	SGVPCJPJHRAJLK-UHFFFAOYSA-N
DG53549	Methyl 1-hydroxy-4-methyl-2-vinyl-2-cyclopentene-1-carboxylate	364743	NSC631448; Methyl 1-hydroxy-4-methyl-2-vinyl-2-cyclopentene-1-carboxylate; methyl 1-hydroxy-4-methyl-2-vinyl-cyclopent-2-ene-1-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631448	.	.	.	.	182.22	C10H14O3	46.5	267	1.2	13	1	3	3	"InChI=1S/C10H14O3/c1-4-8-5-7(2)6-10(8,12)9(11)13-3/h4-5,7,12H,1,6H2,2-3H3"	CC1CC(C(=C1)C=C)(C(=O)OC)O	VTWHZNAOMGGMOV-UHFFFAOYSA-N
DG53550	Bis(salicylidene-2-methyl-1-propanole-2-imine)cobalt(II)	364751	NSC631467; Bis(salicylidene-2-methyl-1-propanole-2-imine)cobalt(II); NSC-631467; NCI60_010299	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631467	.	.	.	.	443.4	C22H28CoN2O4	111	453	.	29	2	6	4	"InChI=1S/2C11H15NO2.Co/c2*1-11(2,8-13)12-7-9-5-3-4-6-10(9)14;/h2*3-7,13-14H,8H2,1-2H3;/q;;+2/p-2"	CC(C)(CO)N=CC1=CC=CC=C1[O-].CC(C)(CO)N=CC1=CC=CC=C1[O-].[Co+2]	WYNHSSFWBLSERL-UHFFFAOYSA-L
DG53551	"2-(3,4-Dichloroanilino)benzo[f][1,3]benzothiazole-4,9-dione"	364762	"NSC631521; NCIMech_000671; CHEMBL1971382; 2-(3,4-dichloroanilino)benzo[f][1,3]benzothiazole-4,9-dione; ZINC1622384; CCG-35745; NSC-631521; NCI60_010322; Naphtho[2,9-dione, 2-[(3,4-dichlorophenyl) amino]-; Naphtho[2,3-d]thiazole-4,9-dione, 2-[(3,4-dichlorophenyl)amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631521	.	.	.	.	375.2	C17H8Cl2N2O2S	87.3	535	5.7	24	1	5	2	"InChI=1S/C17H8Cl2N2O2S/c18-11-6-5-8(7-12(11)19)20-17-21-13-14(22)9-3-1-2-4-10(9)15(23)16(13)24-17/h1-7H,(H,20,21)"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=CC(=C(C=C4)Cl)Cl	SGDPXYIMMVMCCY-UHFFFAOYSA-N
DG53552	"Naphtho[2,3-d]thiazole-4,9-dione, 2-(2-propenylamino)-"	364763	"NSC631522; CHEMBL1964858; Naphtho[2,3-d]thiazole-4,9-dione, 2-(2-propenylamino)-; ZINC1622385; NSC-631522; NCI60_010323; J3.547.609A; 2-(Allylamino)naphtho[2,3-d]thiazole-4,9-dione; 2-(allylamino)benzo[f][1,3]benzothiazole-4,9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631522	.	.	.	.	270.31	C14H10N2O2S	87.3	412	3.5	19	1	5	3	"InChI=1S/C14H10N2O2S/c1-2-7-15-14-16-10-11(17)8-5-3-4-6-9(8)12(18)13(10)19-14/h2-6H,1,7H2,(H,15,16)"	C=CCNC1=NC2=C(S1)C(=O)C3=CC=CC=C3C2=O	WYYBABIENBJOLM-UHFFFAOYSA-N
DG53553	"Naphtho[2,3-d]thiazole-2-acetonitrile, 4,9-dihydro-4,9-dioxo-"	364766	"NSC631525; Naphtho[2,3-d]thiazole-2-acetonitrile, 4,9-dihydro-4,9-dioxo-; SCHEMBL8285423; CHEMBL1997205; 2-(4,9-dioxobenzo[f][1,3]benzothiazol-2-yl)acetonitrile; ZINC408515; NSC-631525; NCI60_010326"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631525	.	.	.	.	254.27	C13H6N2O2S	99.1	442	2.3	18	0	5	1	"InChI=1S/C13H6N2O2S/c14-6-5-9-15-10-11(16)7-3-1-2-4-8(7)12(17)13(10)18-9/h1-4H,5H2"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)CC#N	CSOZZEDPKBFLCX-UHFFFAOYSA-N
DG53554	"2-(4-Nitroanilino)benzo[f][1,3]benzothiazole-4,9-dione"	364767	"NSC631526; CHEMBL1993345; 2-(4-nitroanilino)benzo[f][1,3]benzothiazole-4,9-dione; ZINC5593836; NSC-631526; NCI60_010327; Naphtho[2,9-dione, 2-[(4-nitrophenyl) amino]-; Naphtho[2,3-d]thiazole-4,9-dione, 2-[(4-nitrophenyl)amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631526	.	.	.	.	351.3	C17H9N3O4S	133	573	4.3	25	1	7	2	"InChI=1S/C17H9N3O4S/c21-14-11-3-1-2-4-12(11)15(22)16-13(14)19-17(25-16)18-9-5-7-10(8-6-9)20(23)24/h1-8H,(H,18,19)"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=CC=C(C=C4)[N+](=O)[O-]	RBLIDVKXHWJBGL-UHFFFAOYSA-N
DG53555	"2-(3-Chloroanilino)benzo[f][1,3]benzothiazole-4,9-dione"	364769	"NSC631528; CHEMBL2001015; 2-(3-chloroanilino)benzo[f][1,3]benzothiazole-4,9-dione; ZINC408321; Naphtho[2,3-d]thiazole-4,9-dione, 2-[(3-chlorophenyl)amino]-; NSC-631528; NCI60_010329"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631528	.	.	.	.	340.8	C17H9ClN2O2S	87.3	503	5.1	23	1	5	2	"InChI=1S/C17H9ClN2O2S/c18-9-4-3-5-10(8-9)19-17-20-13-14(21)11-6-1-2-7-12(11)15(22)16(13)23-17/h1-8H,(H,19,20)"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=CC(=CC=C4)Cl	TWIYDOGQCIIPPR-UHFFFAOYSA-N
DG53556	"2-(4-Chloroanilino)benzo[f][1,3]benzothiazole-4,9-dione"	364770	"NSC631529; CHEMBL1978705; NCIMech_000701; SCHEMBL1287130; 2-(4-chloroanilino)benzo[f][1,3]benzothiazole-4,9-dione; ZINC408320; Naphtho[2,3-d]thiazole-4,9-dione, 2-[(4-chlorophenyl)amino]-; BDBM50548274; CCG-35888; AKOS024326839; MCULE-8271691352; NSC-631529; NCI60_010330"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631529	.	.	.	.	340.8	C17H9ClN2O2S	87.3	495	5.1	23	1	5	2	"InChI=1S/C17H9ClN2O2S/c18-9-5-7-10(8-6-9)19-17-20-13-14(21)11-3-1-2-4-12(11)15(22)16(13)23-17/h1-8H,(H,19,20)"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=CC=C(C=C4)Cl	REOQQQOHISDZHG-UHFFFAOYSA-N
DG53557	"4-Benzhydryl-2-(2-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine"	364772	"NSC631531; 4-Benzhydryl-2-(2-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine; CHEMBL1983249; NSC-631531; NCI60_010332"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631531	.	.	.	.	423.5	C28H22FNS	37.7	576	6.8	31	0	3	4	"InChI=1S/C28H22FNS/c29-23-16-8-7-15-22(23)27-19-25(30-24-17-9-10-18-26(24)31-27)28(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-18,27-28H,19H2"	C1C(SC2=CC=CC=C2N=C1C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5F	DTDNGKVZYFPYFW-UHFFFAOYSA-N
DG53558	"4-(2-Chlorophenyl)-2-(4-(hydroxy(oxido)amino)phenyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide"	364775	"NSC631534; CHEMBL1994042; NSC-631534; NCI60_010335; 4-(2-chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1$l^{4},5-benzothiazepine 1-oxide; 4-(2-Chlorophenyl)-2-(4-(hydroxy(oxido)amino)phenyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631534	.	.	.	.	410.9	C21H15ClN2O3S	94.5	630	4.2	28	0	5	2	"InChI=1S/C21H15ClN2O3S/c22-17-6-2-1-5-16(17)19-13-21(14-9-11-15(12-10-14)24(25)26)28(27)20-8-4-3-7-18(20)23-19/h1-12,21H,13H2"	C1C(S(=O)C2=CC=CC=C2N=C1C3=CC=CC=C3Cl)C4=CC=C(C=C4)[N+](=O)[O-]	LMZWRHWANKNGJC-UHFFFAOYSA-N
DG53559	"2-(1,3-Benzothiazol-2-yl)-N-(3-(trifluoromethyl)phenyl)acetamide"	364782	"NSC631541; 2-(1,3-Benzothiazol-2-yl)-N-(3-(trifluoromethyl)phenyl)acetamide; 2-(1,3-benzothiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide; CHEMBL1966100; ZINC1622410; NSC-631541; NCI60_010342"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631541	.	.	.	.	336.3	C16H11F3N2OS	70.2	432	4.1	23	1	6	3	"InChI=1S/C16H11F3N2OS/c17-16(18,19)10-4-3-5-11(8-10)20-14(22)9-15-21-12-6-1-2-7-13(12)23-15/h1-8H,9H2,(H,20,22)"	C1=CC=C2C(=C1)N=C(S2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F	LCLFTUZRQKZADK-UHFFFAOYSA-N
DG53560	"2,4-Di(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine"	364783	"NSC631542; 2,4-Di(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine; CHEMBL1981579; NSC-631542; NCI60_010343; 2,4-bis(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631542	.	.	.	.	415.5	C29H21NS	37.7	643	7.6	31	0	2	2	"InChI=1S/C29H21NS/c1-3-13-22-20(9-1)11-7-15-24(22)27-19-29(31-28-18-6-5-17-26(28)30-27)25-16-8-12-21-10-2-4-14-23(21)25/h1-18,29H,19H2"	C1C(SC2=CC=CC=C2N=C1C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65	DWAZTJAWVKZQFO-UHFFFAOYSA-N
DG53561	"4-(1,3-Benzodioxol-5-yl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide"	364791	"NSC631550; 4-(1,3-Benzodioxol-5-yl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide; Oprea1_038451; CHEMBL2001234; ZINC641726; STK535604; AKOS000531963; MCULE-3336042025; NSC-631550; NCI60_010351; 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-N,N'-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide; 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631550	.	.	.	.	467.5	C28H25N3O4	88.7	815	4.3	35	3	5	5	"InChI=1S/C28H25N3O4/c1-17-24(27(32)30-20-9-5-3-6-10-20)26(19-13-14-22-23(15-19)35-16-34-22)25(18(2)29-17)28(33)31-21-11-7-4-8-12-21/h3-15,26,29H,16H2,1-2H3,(H,30,32)(H,31,33)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=C5	MHVNIYGPHFNYRW-UHFFFAOYSA-N
DG53562	"4-(3,5-Dichlorophenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide"	364807	"NSC631565; CHEMBL1991054; ZINC31829878; NSC-631565; NCI60_010366; 4-(3,5-dichlorophenyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide; 4-(3,5-Dichlorophenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631565	.	.	.	.	492.4	C27H23Cl2N3O2	70.2	764	5.8	34	3	3	5	"InChI=1S/C27H23Cl2N3O2/c1-16-23(26(33)31-21-9-5-3-6-10-21)25(18-13-19(28)15-20(29)14-18)24(17(2)30-16)27(34)32-22-11-7-4-8-12-22/h3-15,25,30H,1-2H3,(H,31,33)(H,32,34)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC(=CC(=C3)Cl)Cl)C(=O)NC4=CC=CC=C4	SWULTTFXQXRFNC-UHFFFAOYSA-N
DG53563	"ethyl N-(1-cyclohexyl-2,4-dioxopyrimidine-5-carbonyl)carbamate"	364812	NSC631571; CHEMBL1996395; ZINC1622438; MCULE-6287370638; NSC-631571; NCI60_010369	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631571	.	.	.	.	309.32	C14H19N3O5	105	523	1.6	22	2	5	4	"InChI=1S/C14H19N3O5/c1-2-22-14(21)16-12(19)10-8-17(13(20)15-11(10)18)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,15,18,20)(H,16,19,21)"	CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)C2CCCCC2	DKCNIRWUYNCKKU-UHFFFAOYSA-N
DG53564	"3-Phenyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine"	364818	"NSC631578; CHEMBL1968228; 3-Phenyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine; 3-phenyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine; NSC-631578; NCI60_010372; N-(3-Phenyl-6-(trifluoromethyl)-2-quinoxalinyl)-N-(3,4,5-trimethoxyphenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631578	.	.	.	.	455.4	C24H20F3N3O3	65.5	606	5.5	33	1	9	6	"InChI=1S/C24H20F3N3O3/c1-31-19-12-16(13-20(32-2)22(19)33-3)28-23-21(14-7-5-4-6-8-14)29-18-11-15(24(25,26)27)9-10-17(18)30-23/h4-13H,1-3H3,(H,28,30)"	COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4	BLLLWQFFAATCQJ-UHFFFAOYSA-N
DG53565	"3-Phenyl-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine"	364819	"NSC631579; CHEMBL1964594; 3-Phenyl-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine; 3-phenyl-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine; NSC-631579; NCI60_010373; N-(3-Phenyl-7-(trifluoromethyl)-2-quinoxalinyl)-N-(3,4,5-trimethoxyphenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631579	.	.	.	.	455.4	C24H20F3N3O3	65.5	606	5.5	33	1	9	6	"InChI=1S/C24H20F3N3O3/c1-31-19-12-16(13-20(32-2)22(19)33-3)28-23-21(14-7-5-4-6-8-14)29-17-10-9-15(24(25,26)27)11-18(17)30-23/h4-13H,1-3H3,(H,28,30)"	COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4	RYWPHYDCEZFBHY-UHFFFAOYSA-N
DG53566	"N-(3,4-Dimethoxyphenyl)-3-phenyl-6-(trifluoromethyl)-2-quinoxalinamine"	364820	"NSC631580; CHEMBL1984800; N-(3,4-Dimethoxyphenyl)-3-phenyl-6-(trifluoromethyl)-2-quinoxalinamine; N-(3,4-dimethoxyphenyl)-3-phenyl-6-(trifluoromethyl)quinoxalin-2-amine; NSC-631580; NCI60_010374; N-(3,4-Dimethoxyphenyl)-N-(3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631580	.	.	.	.	425.4	C23H18F3N3O2	56.3	573	5.6	31	1	8	5	"InChI=1S/C23H18F3N3O2/c1-30-19-11-9-16(13-20(19)31-2)27-22-21(14-6-4-3-5-7-14)28-18-12-15(23(24,25)26)8-10-17(18)29-22/h3-13H,1-2H3,(H,27,29)"	COC1=C(C=C(C=C1)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4)OC	RRHPVMRCWDRXGV-UHFFFAOYSA-N
DG53567	"N-(3,4-Dimethoxyphenyl)-3-phenyl-7-(trifluoromethyl)-2-quinoxalinamine"	364821	"NSC631581; N-(3,4-Dimethoxyphenyl)-3-phenyl-7-(trifluoromethyl)-2-quinoxalinamine; CHEMBL1991354; N-(3,4-dimethoxyphenyl)-3-phenyl-7-(trifluoromethyl)quinoxalin-2-amine; NSC-631581; NCI60_010375; N-(3,4-Dimethoxyphenyl)-N-(3-phenyl-7-(trifluoromethyl)-2-quinoxalinyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631581	.	.	.	.	425.4	C23H18F3N3O2	56.3	573	5.6	31	1	8	5	"InChI=1S/C23H18F3N3O2/c1-30-19-11-9-16(13-20(19)31-2)27-22-21(14-6-4-3-5-7-14)28-17-10-8-15(23(24,25)26)12-18(17)29-22/h3-13H,1-2H3,(H,27,29)"	COC1=C(C=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4)OC	RBMZDSKTWJOOPZ-UHFFFAOYSA-N
DG53568	"2-Amino-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile"	364824	"2-Amino-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile; NSC631583; 119825-08-0; 4H-Pyrano[3,2-h]quinoline-3-carbonitrile, 2-amino-4-phenyl-; Oprea1_085466; Oprea1_371214; MLS000688825; SCHEMBL8112486; CHEMBL1479947; DTXSID70327099; HMS2747H11; STK788796; AKOS000616705; AKOS024289070; MCULE-9813252658; NCI60_010377; SMR000285784; Z56766370; 2-AMINO-4-PHENYL-4H-CHROMENO[8,7-B]PYRIDINE-3-CARBONITRILE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631583	.	.	.	.	299.3	C19H13N3O	71.9	528	3.6	23	1	4	1	"InChI=1S/C19H13N3O/c20-11-15-16(12-5-2-1-3-6-12)14-9-8-13-7-4-10-22-17(13)18(14)23-19(15)21/h1-10,16H,21H2"	C1=CC=C(C=C1)C2C3=C(C4=C(C=CC=N4)C=C3)OC(=C2C#N)N	VNPNHFYNGHHFDS-UHFFFAOYSA-N
DG53569	"[1,1'-Binaphthalene]-3,4-dione, 2',7-dihydroxy-"	364885	"NSC631700; [1,1'-Binaphthalene]-3,4-dione, 2',7-dihydroxy-; CHEMBL1985466; NSC-631700; NCI60_010409; 6-hydroxy-4-(2-hydroxy-1-naphthyl)naphthalene-1,2-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631700	.	.	.	.	316.3	C20H12O4	74.6	566	3.2	24	2	4	1	"InChI=1S/C20H12O4/c21-12-6-7-14-15(9-12)16(10-18(23)20(14)24)19-13-4-2-1-3-11(13)5-8-17(19)22/h1-10,21-22H"	C1=CC=C2C(=C1)C=CC(=C2C3=CC(=O)C(=O)C4=C3C=C(C=C4)O)O	VNUAKVWFRMEBEP-UHFFFAOYSA-N
DG53570	"4-(3-Nitro-phenyl)-N-(4-nitro-thiazol-2-yl)-2,4-dioxo-butyramide"	364958	"NSC631844; CHEMBL1998495; 4-(3-Nitro-phenyl)-N-(4-nitro-thiazol-2-yl)-2,4-dioxo-butyramide; ZINC103010974; NSC-631844; NCI60_010464; 4-(3-nitrophenyl)-N-(4-nitrothiazol-2-yl)-2,4-dioxo-butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631844	.	.	.	.	364.29	C13H8N4O7S	196	588	1.8	25	1	9	5	"InChI=1S/C13H8N4O7S/c18-9(7-2-1-3-8(4-7)16(21)22)5-10(19)12(20)15-13-14-11(6-25-13)17(23)24/h1-4,6H,5H2,(H,14,15,20)"	C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CC(=O)C(=O)NC2=NC(=CS2)[N+](=O)[O-]	GXUNGXWPKYTECE-UHFFFAOYSA-N
DG53571	"Chlorooxobis(2,4-pentanedione)vanadium(V)"	364991	"NSC631893; NSC-631893; NCI60_010494; Chlorooxobis(2,4-pentanedione)vanadium(V)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631893	.	.	.	.	300.61	C10H14ClO5V-3	85.4	215	.	17	0	8	0	"InChI=1S/2C5H7O2.ClH.O.V/c2*1-4(6)3-5(2)7;;;/h2*3H,1-2H3;1H;;/q2*-1;;;/p-1"	CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.O=[V].[Cl-]	OXRSFMHKDANLGL-UHFFFAOYSA-M
DG53572	"2-(Chloromethyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-one"	365002	"NSC631911; MLS002701646; NCIChal_000012; CHEMBL1723380; ZINC1622608; 2-(chloromethyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-one; CCG-36211; 9H-[1,2,4]-Triazolo[5,1-b][1,3]benzothiazin-9-one, 2-(chloromethyl)-; NSC-631911; NCI60_010511; SMR001565247; 9H-[1,4]-Triazolo[5,1-b][1,3]benzothiazin-9-one, 2-(chloromethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631911	.	.	.	.	251.69	C10H6ClN3OS	73.1	304	2.4	16	0	4	1	"InChI=1S/C10H6ClN3OS/c11-5-8-12-10-14(13-8)9(15)6-3-1-2-4-7(6)16-10/h1-4H,5H2"	C1=CC=C2C(=C1)C(=O)N3C(=NC(=N3)CCl)S2	NWIRWAOQYMSGPG-UHFFFAOYSA-N
DG53573	7-(Benzyloxy)-2-nonyl-4H-chromen-4-one	365038	NSC631973; 7-(Benzyloxy)-2-nonyl-4H-chromen-4-one; CHEMBL1999504; 7-benzyloxy-2-nonyl-chromen-4-one; NSC-631973; NCI60_010545	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631973	.	.	.	.	378.5	C25H30O3	35.5	492	8.2	28	0	3	11	"InChI=1S/C25H30O3/c1-2-3-4-5-6-7-11-14-22-17-24(26)23-16-15-21(18-25(23)28-22)27-19-20-12-9-8-10-13-20/h8-10,12-13,15-18H,2-7,11,14,19H2,1H3"	CCCCCCCCCC1=CC(=O)C2=C(O1)C=C(C=C2)OCC3=CC=CC=C3	VTWSQHUFJAHKDE-UHFFFAOYSA-N
DG53574	"2-(3-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-(3,4-dichlorophenyl)-2-oxoacetamide"	365042	"NSC632000; CHEMBL1971562; NSC-632000; 2-(3-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-(3,4-dichlorophenyl)-2-oxoacetamide; NCI60_010550; N-(3,4-dichlorophenyl)-2-(3-imino-5-oxo-1-phenyl-pyrazolidin-4-yl)-2-oxo-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632000	.	.	.	.	391.2	C17H12Cl2N4O3	105	621	3.2	26	2	4	4	"InChI=1S/C17H12Cl2N4O3/c18-11-7-6-9(8-12(11)19)21-16(25)14(24)13-15(20)22-23(17(13)26)10-4-2-1-3-5-10/h1-8,13H,(H2,20,22)(H,21,25)"	C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=O)C(=O)NC3=CC(=C(C=C3)Cl)Cl	HEMQIVNWFZHJMJ-UHFFFAOYSA-N
DG53575	N-(3-Chlorophenyl)-5-cyano-4-oxo-5-phenylpentanamide	365043	NSC632001; N-(3-Chlorophenyl)-5-cyano-4-oxo-5-phenylpentanamide; CHEMBL1975747; NSC-632001; NCI60_010551; N-(3-chlorophenyl)-5-cyano-4-oxo-5-phenyl-pentanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632001	.	.	.	.	326.8	C18H15ClN2O2	70	465	2.9	23	1	3	6	"InChI=1S/C18H15ClN2O2/c19-14-7-4-8-15(11-14)21-18(23)10-9-17(22)16(12-20)13-5-2-1-3-6-13/h1-8,11,16H,9-10H2,(H,21,23)"	C1=CC=C(C=C1)C(C#N)C(=O)CCC(=O)NC2=CC(=CC=C2)Cl	WOEBZJIRQNFHLB-UHFFFAOYSA-N
DG53576	3-cyano-N-[3-[(3-cyano-2-oxo-3-phenylpropanoyl)amino]propyl]-2-oxo-3-phenylpropanamide	365044	NSC632002; CHEMBL1968118; NSC-632002; NCI60_010552	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632002	.	.	.	.	416.4	C23H20N4O4	140	699	2.1	31	2	6	10	"InChI=1S/C23H20N4O4/c24-14-18(16-8-3-1-4-9-16)20(28)22(30)26-12-7-13-27-23(31)21(29)19(15-25)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-13H2,(H,26,30)(H,27,31)"	C1=CC=C(C=C1)C(C#N)C(=O)C(=O)NCCCNC(=O)C(=O)C(C#N)C2=CC=CC=C2	YNKPRQXUJNCTDR-UHFFFAOYSA-N
DG53577	3-(2-Chlorophenyl)-3-cyano-N-(2-ethylphenyl)-2-oxopropanamide	365053	NSC632011; CHEMBL1980585; 3-(2-Chlorophenyl)-3-cyano-N-(2-ethylphenyl)-2-oxopropanamide; NSC-632011; NCI60_010561; 3-(2-chlorophenyl)-3-cyano-N-(2-ethylphenyl)-2-oxo-propanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632011	.	.	.	.	326.8	C18H15ClN2O2	70	485	4	23	1	3	5	"InChI=1S/C18H15ClN2O2/c1-2-12-7-3-6-10-16(12)21-18(23)17(22)14(11-20)13-8-4-5-9-15(13)19/h3-10,14H,2H2,1H3,(H,21,23)"	CCC1=CC=CC=C1NC(=O)C(=O)C(C#N)C2=CC=CC=C2Cl	PWTHVOHHPCLRNH-UHFFFAOYSA-N
DG53578	"N-(2,4-Dichlorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide"	365143	"NSC632244; N-(2,4-Dichlorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide; SCHEMBL3914469; CHEMBL1996707; STK074931; AKOS022085640; MCULE-2765071425; NSC-632244; NCI60_010624; SR-01000320389; SR-01000320389-1; N-(2,4-dichlorophenyl)-2-(2-imino-4-oxo-thiazolidin-5-yl)acetamide; 625819-76-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632244	.	.	.	.	318.2	C11H9Cl2N3O2S	110	419	1.8	19	2	3	3	"InChI=1S/C11H9Cl2N3O2S/c12-5-1-2-7(6(13)3-5)15-9(17)4-8-10(18)16-11(14)19-8/h1-3,8H,4H2,(H,15,17)(H2,14,16,18)"	C1=CC(=C(C=C1Cl)Cl)NC(=O)CC2C(=O)N=C(S2)N	CFAGUFSZRAZDMF-UHFFFAOYSA-N
DG53579	"[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 4,7-dihydro-2-(4-morpholinyl)-7-oxo-, methyl ester"	365157	"NSC632294; CHEMBL1980606; ZINC102945523; NSC-632294; [1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 4,7-dihydro-2-(4-morpholinyl)-7-oxo-, methyl ester; NCI60_010629; methyl 2-morpholino-7-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632294	.	.	.	.	279.25	C11H13N5O4	95.8	547	-1.2	20	1	5	3	"InChI=1S/C11H13N5O4/c1-19-9(18)7-6-12-10-13-11(14-16(10)8(7)17)15-2-4-20-5-3-15/h6H,2-5H2,1H3,(H,12,13,14)"	COC(=O)C1=CN=C2N=C(NN2C1=O)N3CCOCC3	XPGFRWFZUKREFV-UHFFFAOYSA-N
DG53580	"1-(3,4-Dimethoxyphenyl)-5,6-dimethoxy-2-(4-nitrophenyl)-3-[(4-nitrophenyl)methyl]indane"	365186	"NSC632479; CHEMBL1969922; NSC-632479; NCI60_010644; 1-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-(4-nitrophenyl)-3-[(4-nitrophenyl)methyl]indane; (4-(1-(3,4-Dimethoxyphenyl)-3-(4-(hydroxy(oxido)amino)benzyl)-5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)phenyl)(hydroxy)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632479	.	.	.	.	570.6	C32H30N2O8	129	894	6.7	42	0	8	8	"InChI=1S/C32H30N2O8/c1-39-27-14-9-21(16-28(27)40-2)32-26-18-30(42-4)29(41-3)17-24(26)25(15-19-5-10-22(11-6-19)33(35)36)31(32)20-7-12-23(13-8-20)34(37)38/h5-14,16-18,25,31-32H,15H2,1-4H3"	COC1=C(C=C(C=C1)C2C(C(C3=CC(=C(C=C23)OC)OC)CC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-])OC	JTHMNHQWYMUBOV-UHFFFAOYSA-N
DG53581	"4-N-phenyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine"	365208	"NSC632536; MLS000756764; 24459-88-9; n1-phenyl-n4-(2,2,6,6-tetramethyl-4-piperidyl)benzene-1,4-diamine; NSC-632536; 4-N-phenyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine; SMR000529056; 1,4-Benzenediamine, N-phenyl-N'-(2,2,6,6-tetramethyl-4- piperidinyl)-; N1-PHENYL-N4-(2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)BENZENE-1,4-DIAMINE; Maybridge3_005420; NCIMech_000731; NCIStruc1_001664; NCIStruc2_001041; Oprea1_143331; SCHEMBL8738952; CHEMBL1367933; ZINC86102; DTXSID10327114; HMS1446G08; CCG-35889; CCG-37094; CCG-52387; NCGC00014944; NCI632536; MCULE-8768745860; IDI1_016807; NCGC00014944-02; NCGC00098044-01; NCI60_010649; SR-01000641626; SR-01000641626-1; SR-01000641626-3; BRD-K97345511-001-13-3; 1,N-phenyl-N'-(2,2,6,6-tetramethyl-4-piperidinyl)-; N~1~-Phenyl-N~4~-(2,2,6,6-tetramethyl-4-piperidinyl)-1,4-benzenediamine; N1-phenyl-N4-(2,2,6,6-tetramethyl-4-piperidinyl)-1,4-benzenediamine; 4773-81-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632536	.	.	.	.	323.5	C21H29N3	36.1	374	4.8	24	3	3	4	"InChI=1S/C21H29N3/c1-20(2)14-19(15-21(3,4)24-20)23-18-12-10-17(11-13-18)22-16-8-6-5-7-9-16/h5-13,19,22-24H,14-15H2,1-4H3"	CC1(CC(CC(N1)(C)C)NC2=CC=C(C=C2)NC3=CC=CC=C3)C	NQIGBASDJIFWRK-UHFFFAOYSA-N
DG53582	Bis(salicylidene-tert-butylamine)cobalt(II)	365225	NSC632567; NSC-632567; NCI60_010675; Bis(salicylidene-tert-butylamine)cobalt(II)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632567	.	.	.	.	411.4	C22H28CoN2O2	70.8	410	.	27	0	4	2	"InChI=1S/2C11H15NO.Co/c2*1-11(2,3)12-8-9-6-4-5-7-10(9)13;/h2*4-8,13H,1-3H3;/q;;+2/p-2"	CC(C)(C)N=CC1=CC=CC=C1[O-].CC(C)(C)N=CC1=CC=CC=C1[O-].[Co+2]	ALIWKLKVIWXWBK-UHFFFAOYSA-L
DG53583	"Bis-2,4-dimethoxyphenylselenide"	365233	"Bis-2,4-dimethoxyphenylselenide; NSC632580; CHEMBL1982338; Bis(2,4-dimethoxyphenyl) selenide; NSC-632580; NCI60_010688; J3.555.562E"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632580	.	.	.	.	353.3	C16H18O4Se	36.9	274	.	21	0	4	6	"InChI=1S/C16H18O4Se/c1-17-11-5-7-15(13(9-11)19-3)21-16-8-6-12(18-2)10-14(16)20-4/h5-10H,1-4H3"	COC1=CC(=C(C=C1)[Se]C2=C(C=C(C=C2)OC)OC)OC	XNCUXFVJNXZBBO-UHFFFAOYSA-N
DG53584	"15-Crown-5-tris(2,4-pentadionato)vanadium(III)"	365235	"NSC632598; NSC-632598; NCI60_010706; 15-Crown-5-tris(2,4-pentadionato)vanadium(III)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632598	.	.	.	.	568.5	C25H41O11V-3	149	401	.	37	0	14	0	"InChI=1S/C10H20O5.3C5H7O2.V/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1;3*1-4(6)3-5(2)7;/h1-10H2;3*3H,1-2H3;/q;3*-1;"	CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.C1COCCOCCOCCOCCO1.[V]	CFBIEDZHXGTWIS-UHFFFAOYSA-N
DG53585	"Selenanthrene, 2,3,7,8-tetramethoxy-"	365238	"2,3,7,8-tetramethoxyselenanthrene; NSC632601; Selenanthrene, 2,3,7,8-tetramethoxy-; CHEMBL1995457; DTXSID30327116; 2,6,7-Tetramethoxyseleniumanthrene; NSC-632601; 50499-86-0; NCI60_010709"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632601	.	.	.	.	430.2	C16H16O4Se2	36.9	304	.	22	0	4	4	"InChI=1S/C16H16O4Se2/c1-17-9-5-13-14(6-10(9)18-2)22-16-8-12(20-4)11(19-3)7-15(16)21-13/h5-8H,1-4H3"	COC1=CC2=C(C=C1OC)[Se]C3=C([Se]2)C=C(C(=C3)OC)OC	RYTMZQYCULTDRR-UHFFFAOYSA-N
DG53586	"Diselenide, bis(4-methylphenyl)"	365239	"Di-p-Tolyl diselenide; Diselenide, bis(4-methylphenyl); 21856-94-0; p-Tolyl diselenide; NSC632604; Bis-p-tolylediselenide; 1,2-Di-p-tolyldiselane; 4,4'-Ditolyl diselenide; Bis(4-methylphenyl) perselenide; CHEMBL2002452; DTXSID90327117; 1,2-Bis(4-methylphenyl)diselane #; NSC-632604; NCI60_010712"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632604	.	.	.	.	340.2	C14H14Se2	0	167	.	16	0	0	3	"InChI=1S/C14H14Se2/c1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h3-10H,1-2H3"	CC1=CC=C(C=C1)[Se][Se]C2=CC=C(C=C2)C	KJCNOACMRYZZFR-UHFFFAOYSA-N
DG53587	"Bis(2,4-dimethoxyphenyl)diselenide"	365241	"Bis(2,4-dimethoxyphenyl)diselenide; NSC632606; CHEMBL2006144; NSC-632606; NCI60_010714"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632606	.	.	.	.	432.3	C16H18O4Se2	36.9	289	.	22	0	4	7	"InChI=1S/C16H18O4Se2/c1-17-11-5-7-15(13(9-11)19-3)21-22-16-8-6-12(18-2)10-14(16)20-4/h5-10H,1-4H3"	COC1=CC(=C(C=C1)[Se][Se]C2=C(C=C(C=C2)OC)OC)OC	WEEVNOXMHRQLEA-UHFFFAOYSA-N
DG53588	"9-Methoxy-2-[(benzoyloxy)methyl]-5,3-b]carbazolium iodide"	365242	"NSC632620; CHEMBL1996828; NSC-632620; 9-Methoxy-2-[(benzoyloxy)methyl]-5,3-b]carbazolium iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632620	.	.	.	.	538.4	C26H23IN2O3	55.2	636	.	32	1	4	5	"InChI=1S/C26H22N2O3.HI/c1-16-22-14-28(15-31-26(29)18-7-5-4-6-8-18)12-11-20(22)17(2)25-24(16)21-13-19(30-3)9-10-23(21)27-25;/h4-14H,15H2,1-3H3;1H"	CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C)COC(=O)C5=CC=CC=C5.[I-]	NCXKRMXHCQKIJU-UHFFFAOYSA-N
DG53589	"9-Methoxy-2-[(propionyloxy)methyl]-5,3-b]carbazolium iodide"	365244	"NSC632621; CHEMBL1990354; NSC-632621; 9-Methoxy-2-[(propionyloxy)methyl]-5,3-b]carbazolium iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632621	.	.	.	.	490.3	C22H23IN2O3	55.2	542	.	28	1	4	5	"InChI=1S/C22H22N2O3.HI/c1-5-20(25)27-12-24-9-8-16-14(3)22-21(13(2)18(16)11-24)17-10-15(26-4)6-7-19(17)23-22;/h6-11H,5,12H2,1-4H3;1H"	CCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)OC)C.[I-]	GVSXXZRSKQCGJU-UHFFFAOYSA-N
DG53590	"2-[(Propionyloxy)methyl]-5,3-b] carbazolium iodide"	365248	"NSC632623; CHEMBL1974285; NSC-632623; 2-[(Propionyloxy)methyl]-5,3-b] carbazolium iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632623	.	.	.	.	460.3	C21H21IN2O2	46	496	.	26	1	3	4	"InChI=1S/C21H20N2O2.HI/c1-4-19(24)25-12-23-10-9-15-14(3)21-20(13(2)17(15)11-23)16-7-5-6-8-18(16)22-21;/h5-11H,4,12H2,1-3H3;1H"	CCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.[I-]	XOQRSRCEXZZQKI-UHFFFAOYSA-N
DG53591	6-(5-Hexen-1-yl)-2-methylellipticinium acetate	365250	"NSC632624; CHEMBL265025; NSC-632624; 6-(5-Hexen-1-yl)-2-methylellipticinium acetate; 6H-Pyrido[4, 6-(5-hexen-1-yl)-2,5,11-trimethyl-, acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632624	.	.	.	.	402.5	C26H30N2O2	48.9	514	.	30	0	2	5	"InChI=1S/C24H27N2.C2H4O2/c1-5-6-7-10-14-26-22-12-9-8-11-20(22)23-17(2)21-16-25(4)15-13-19(21)18(3)24(23)26;1-2(3)4/h5,8-9,11-13,15-16H,1,6-7,10,14H2,2-4H3;1H3,(H,3,4)/q+1;/p-1"	CC1=C2C=C[N+](=CC2=C(C3=C1N(C4=CC=CC=C43)CCCCC=C)C)C.CC(=O)[O-]	GMDZLMBCOXUGHY-UHFFFAOYSA-M
DG53592	Trichlorooxobisoxinatomolybdenum(VI)	365257	NSC632804; Trichlorooxobisoxinatomolybdenum(VI); NSC-632804	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632804	.	.	.	.	506.6	C18H12Cl3MoN2O3-5	89	343	.	27	0	8	2	"InChI=1S/2C9H7NO.3ClH.Mo.O/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;/h2*1-6,11H;3*1H;;/p-5"	C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.O=[Mo].[Cl-].[Cl-].[Cl-]	HJXRHCUIURMYCZ-UHFFFAOYSA-I
DG53593	Trimethyl-[3-oxo-5-(trimethylazaniumyl)pentyl]azanium;iodide	365278	NSC632835; NSC-632835	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632835	.	.	.	.	329.24	C11H26IN2O+	17.1	166	.	15	0	2	6	"InChI=1S/C11H26N2O.HI/c1-12(2,3)9-7-11(14)8-10-13(4,5)6;/h7-10H2,1-6H3;1H/q+2;/p-1"	C[N+](C)(C)CCC(=O)CC[N+](C)(C)C.[I-]	FZNBNWMHAXYSDE-UHFFFAOYSA-M
DG53594	"3-Chloro-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino)azobenzene"	365292	"NSC632843; 3-Chloro-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino)azobenzene; CHEMBL1998139; ZINC18046786; ZINC104283825; NSC-632843; NCI60_010804; 3-[4-[(E)-(3-chlorophenyl)azo]-N-(2-cyanoethyl)-3-methyl-anilino]propanenitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632843	.	.	.	.	351.8	C19H18ClN5	75.5	510	4.2	25	0	5	7	"InChI=1S/C19H18ClN5/c1-15-13-18(25(11-3-9-21)12-4-10-22)7-8-19(15)24-23-17-6-2-5-16(20)14-17/h2,5-8,13-14H,3-4,11-12H2,1H3"	CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC(=CC=C2)Cl	NZFAGPFREPVQQW-UHFFFAOYSA-N
DG53595	"4-Bromo-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino) azobenzene"	365297	"NSC632848; 4-Bromo-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino) azobenzene; CHEMBL1995258; ZINC18082108; ZINC104283863; NSC-632848; NCI60_010809; 3-[4-[(E)-(4-bromophenyl)azo]-N-(2-cyanoethyl)-3-methyl-anilino]propanenitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632848	.	.	.	.	396.3	C19H18BrN5	75.5	502	4.3	25	0	5	7	"InChI=1S/C19H18BrN5/c1-15-14-18(25(12-2-10-21)13-3-11-22)8-9-19(15)24-23-17-6-4-16(20)5-7-17/h4-9,14H,2-3,12-13H2,1H3"	CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC=C(C=C2)Br	DKQSXXDUZJNYDQ-UHFFFAOYSA-N
DG53596	"2-Bromo-4-methyl-(2'-methyl-4'-N,N-bis-cyanoethylamino) azobenzene"	365299	"NSC632850; 2-Bromo-4-methyl-(2'-methyl-4'-N,N-bis-cyanoethylamino) azobenzene; CHEMBL1979821; ZINC18168079; ZINC104283874; NSC-632850; NCI60_010811; 3-[4-[(E)-(2-bromo-4-methyl-phenyl)azo]-N-(2-cyanoethyl)-3-methyl-anilino]propanenitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632850	.	.	.	.	410.3	C20H20BrN5	75.5	539	4.6	26	0	5	7	"InChI=1S/C20H20BrN5/c1-15-5-7-20(18(21)13-15)25-24-19-8-6-17(14-16(19)2)26(11-3-9-22)12-4-10-23/h5-8,13-14H,3-4,11-12H2,1-2H3"	CC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)N(CCC#N)CCC#N)C)Br	KTQYMHQOZGQFBR-UHFFFAOYSA-N
DG53597	"1H,2-a]pyrazolium, 4-(2-bromoethyl)-2,3,6,7-tetrahydro-, bromide"	365322	"CHEMBL1985724; NSC632913; NSC-632913; 1H,2-a]pyrazolium, 4-(2-bromoethyl)- 2,3,6,7-tetrahydro-, bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632913	.	.	.	.	300.03	C8H16Br2N2	3.2	139	.	12	0	2	2	InChI=1S/C8H16BrN2.BrH/c9-3-8-11-6-1-4-10(11)5-2-7-11;/h1-8H2;1H/q+1;/p-1	C1CN2CCC[N+]2(C1)CCBr.[Br-]	FZLWRPDJLXQTHG-UHFFFAOYSA-M
DG53598	"N-(3-chlorophenyl)-2-(1,3-dioxo-4H-1$l^{4},4-benzothiazin-2-yl)acetamide"	365332	"NSC632923; CHEMBL2002904; MCULE-3642423068; NSC-632923; NCI60_010863; Acetamide,4-dihydro-1,3-dioxo- 2H-1,4-benzothiazine-2-yl)-; 2H-1, 2-[2-(3-chlorophenylamino)-2-oxoethyl]-3,4-dihydro-,1-oxide; N-(3-chlorophenyl)-2-(1,3-dioxo-4H-1$l^{4},4-benzothiazin-2-yl)acetamide; N-(3-Chlorophenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632923	.	.	.	.	348.8	C16H13ClN2O3S	94.5	502	1.6	23	2	4	3	"InChI=1S/C16H13ClN2O3S/c17-10-4-3-5-11(8-10)18-15(20)9-14-16(21)19-12-6-1-2-7-13(12)23(14)22/h1-8,14H,9H2,(H,18,20)(H,19,21)"	C1=CC=C2C(=C1)NC(=O)C(S2=O)CC(=O)NC3=CC(=CC=C3)Cl	BEVBCVNDNQPJHA-UHFFFAOYSA-N
DG53599	"N-(2-Ethyl-6-isopropylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	365369	"NSC632955; CHEMBL1979649; SCHEMBL13037500; NSC-632955; N-(2-Ethyl-6-isopropylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide; NCI60_010895; N-(2-ethyl-6-isopropyl-phenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632955	.	.	.	.	368.5	C21H24N2O2S	83.5	510	4.2	26	2	3	5	"InChI=1S/C21H24N2O2S/c1-4-14-8-7-9-15(13(2)3)20(14)23-19(24)12-18-21(25)22-16-10-5-6-11-17(16)26-18/h5-11,13,18H,4,12H2,1-3H3,(H,22,25)(H,23,24)"	CCC1=C(C(=CC=C1)C(C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2	OPHFWKOHMVOISO-UHFFFAOYSA-N
DG53600	"N-(2-Sec-butyl-6-ethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	365373	"NSC632959; CHEMBL1966640; NSC-632959; N-(2-Sec-butyl-6-ethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide; NCI60_010899; N-(2-ethyl-6-sec-butyl-phenyl)-2-(1,1,3-trioxo-4H-1$l^{6},4-benzothiazin-2-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632959	.	.	.	.	414.5	C22H26N2O4S	101	702	3.4	29	2	4	6	"InChI=1S/C22H26N2O4S/c1-4-14(3)16-10-8-9-15(5-2)21(16)24-20(25)13-19-22(26)23-17-11-6-7-12-18(17)29(19,27)28/h6-12,14,19H,4-5,13H2,1-3H3,(H,23,26)(H,24,25)"	CCC1=C(C(=CC=C1)C(C)CC)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O	RTYTZKFPQZDHRQ-UHFFFAOYSA-N
DG53601	2-Acetamidophenyl phenyl sulfide	365383	NSC632996; 2-Acetamidophenyl phenyl sulfide; N-(2-phenylsulfanylphenyl)acetamide; 2AcNHPh-S-Ph; 2'-(Phenylthio)acetanilide; MLS000064513; CHEMBL1716869; HMS2435I14; ZINC265052; N-[2-(phenylthio)phenyl]acetamide; AKOS000381013; MCULE-7331256392; NSC-632996; NCI60_010904; SMR000077053; N~1~-[2-(phenylsulfanyl)phenyl]acetamide; EU-0070491; SR-01000423546; SR-01000423546-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632996	.	.	.	.	243.33	C14H13NOS	54.4	251	3.1	17	1	2	3	"InChI=1S/C14H13NOS/c1-11(16)15-13-9-5-6-10-14(13)17-12-7-3-2-4-8-12/h2-10H,1H3,(H,15,16)"	CC(=O)NC1=CC=CC=C1SC2=CC=CC=C2	UYBXGTHDRYRWFD-UHFFFAOYSA-N
DG53602	2-Aminophenyl phenyl sulfoxide	365386	NSC632999; 2-Aminophenyl phenyl sulfoxide; 2-Amino-diphenyl-sulfoxyd; 2-(benzenesulfinyl)aniline; 2NH2Ph-SO-Ph; 2-(phenylsulfinyl)aniline; SCHEMBL8813504; CHEMBL2003323; NSC-632999; 16714-31-1; NCI60_010907	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632999	.	.	.	.	217.29	C12H11NOS	62.3	226	2.6	15	1	3	2	"InChI=1S/C12H11NOS/c13-11-8-4-5-9-12(11)15(14)10-6-2-1-3-7-10/h1-9H,13H2"	C1=CC=C(C=C1)S(=O)C2=CC=CC=C2N	JLOIOAHBUWWPRI-UHFFFAOYSA-N
DG53603	2-Acetamidophenyl phenyl sulfoxide	365387	NSC633000; 2-Acetamidophenyl phenyl sulfoxide; 2AcNHPh-SO-Ph; N-[2-(benzenesulfinyl)phenyl]acetamide; CHEMBL1996384; NSC-633000; NCI60_010908	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633000	.	.	.	.	259.329	C14H13NO2S	65.4	313	2.4	18	1	3	3	"InChI=1S/C14H13NO2S/c1-11(16)15-13-9-5-6-10-14(13)18(17)12-7-3-2-4-8-12/h2-10H,1H3,(H,15,16)"	CC(=O)NC1=CC=CC=C1S(=O)C2=CC=CC=C2	FOTCKOVKDZSJGX-UHFFFAOYSA-N
DG53604	Bis(2-nitrophenyl)sulfone	365388	"Bis(2-nitrophenyl)sulfone; 14665-52-2; NSC633001; 1-nitro-2-(2-nitrophenyl)sulfonylbenzene; Bis(2-nitrophenyl) Sulfone; NSC-633001; 1-nitro-2-[(2-nitrophenyl)sulfonyl]benzene; Benzene, 1,1'-sulfonylbis[2-nitro-; nitrophenylsulfone; Bis(2NO2Ph)SO2; NCIMech_000590; MLS001196654; BDBM1780; CHEMBL415959; SCHEMBL2039879; DTXSID40327122; Benzene,1'-sulfonylbis(2-nitro-; HMS2872L23; ZINC1622822; CCG-35737; AKOS001662347; MCULE-4947941526; 2-Amino-6-arylthiobenzonitrile deriv. 4b; NCI60_010909; SMR000556031; 1-nitro-2-(2-nitrophenyl)sulfonyl-benzene; 1-nitro-2-[(2-nitrobenzene)sulfonyl]benzene; SR-01000082567; SR-01000082567-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633001	.	.	.	.	308.27	C12H8N2O6S	134	463	2.4	21	0	6	2	"InChI=1S/C12H8N2O6S/c15-13(16)9-5-1-3-7-11(9)21(19,20)12-8-4-2-6-10(12)14(17)18/h1-8H"	C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]	IHZVFZOUXUNSPQ-UHFFFAOYSA-N
DG53605	"Acetamide, N-[2-(phenylsulfonyl)phenyl]-"	365390	"NSC633003; Acetamide, N-[2-(phenylsulfonyl)phenyl]-; 2-Acetamidophenyl phenyl sulfone; N-[2-(benzenesulfonyl)phenyl]acetamide; 2AcNHPh-SO2-Ph; CHEMBL1995697; SCHEMBL10893891; ZINC1622824; AKOS021599382; N-[2-(phenylsulfonyl)phenyl]acetamide; MCULE-2006050254; NSC-633003; NCI60_010911; N~1~-[2-(phenylsulfonyl)phenyl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633003	.	.	.	.	275.32	C14H13NO3S	71.6	407	2.2	19	1	3	3	"InChI=1S/C14H13NO3S/c1-11(16)15-13-9-5-6-10-14(13)19(17,18)12-7-3-2-4-8-12/h2-10H,1H3,(H,15,16)"	CC(=O)NC1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2	IOEWYEHFITYJJM-UHFFFAOYSA-N
DG53606	9-(4-sulfamoylanilino)-N-(4-sulfamoylphenyl)acridine-4-carboxamide	365396	NSC633016; CHEMBL1992281; 9-(4-sulfamoylanilino)-N-(4-sulfamoylphenyl)acridine-4-carboxamide; NSC-633016; NCI60_010913; 9-(4-(Aminosulfonyl)anilino)-N-(4-(aminosulfonyl)phenyl)-4-acridinecarboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633016	.	.	.	.	547.6	C26H21N5O5S2	191	1040	3	38	4	9	6	"InChI=1S/C26H21N5O5S2/c27-37(33,34)18-12-8-16(9-13-18)29-24-20-4-1-2-7-23(20)31-25-21(24)5-3-6-22(25)26(32)30-17-10-14-19(15-11-17)38(28,35)36/h1-15H,(H,29,31)(H,30,32)(H2,27,33,34)(H2,28,35,36)"	C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)NC5=CC=C(C=C5)S(=O)(=O)N	ZWGXALUMXHXYSP-UHFFFAOYSA-N
DG53607	9-[4-(carbamimidoylsulfamoyl)anilino]-N-[4-(carbamimidoylsulfamoyl)phenyl]acridine-4-carboxamide	365397	"NSC633017; CHEMBL1978578; NSC-633017; NCI60_010914; 4-Acridinecarboxamide, N-[4-[[(aminoiminomethyl)amino]sulfonyl]phenyl]-9-[[4-[[(aminoiminomethyl)amino]sulfonylphenyl]amino]-; 9-[4-(carbamimidoylsulfamoyl)anilino]-N-[4-(carbamimidoylsulfamoyl)phenyl]acridine-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633017	.	.	.	.	631.7	C28H25N9O5S2	268	1290	2	44	6	9	8	"InChI=1S/C28H25N9O5S2/c29-27(30)36-43(39,40)18-12-8-16(9-13-18)33-24-20-4-1-2-7-23(20)35-25-21(24)5-3-6-22(25)26(38)34-17-10-14-19(15-11-17)44(41,42)37-28(31)32/h1-15H,(H,33,35)(H,34,38)(H4,29,30,36)(H4,31,32,37)"	C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N	DEBXZHWGHCFIKI-UHFFFAOYSA-N
DG53608	NSC633021	365401	"1-chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide; NSC633021; CHEMBL1994223; NSC-633021; 1-chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide; NCI60_010918; 1-Chloro-9-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-N-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633021	.	.	.	.	794.3	C38H32ClN9O5S2	215	1500	6.4	55	4	13	10	"InChI=1S/C38H32ClN9O5S2/c1-21-19-22(2)41-37(40-21)47-54(50,51)27-13-9-25(10-14-27)44-34-29-7-5-6-8-32(29)46-35-30(17-18-31(39)33(34)35)36(49)45-26-11-15-28(16-12-26)55(52,53)48-38-42-23(3)20-24(4)43-38/h5-20H,1-4H3,(H,44,46)(H,45,49)(H,40,41,47)(H,42,43,48)"	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC(=CC(=N7)C)C)Cl)C	SUFOQDSJJKRXLY-UHFFFAOYSA-N
DG53609	"N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide"	365412	"NSC633032; CHEMBL1967353; NSC-633032; N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide; NCI60_010929; 9-(4-(Aminosulfonyl)anilino)-N-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633032	.	.	.	.	653.7	C32H27N7O5S2	203	1250	4.4	46	4	11	8	"InChI=1S/C32H27N7O5S2/c1-19-18-20(2)35-32(34-19)39-46(43,44)24-16-12-22(13-17-24)37-31(40)27-8-5-7-26-29(25-6-3-4-9-28(25)38-30(26)27)36-21-10-14-23(15-11-21)45(33,41)42/h3-18H,1-2H3,(H,36,38)(H,37,40)(H2,33,41,42)(H,34,35,39)"	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)NC6=CC=C(C=C6)S(=O)(=O)N)C	WLWWWHBOFNEXAG-UHFFFAOYSA-N
DG53610	"9-[4-(carbamimidoylsulfamoyl)anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide"	365413	"NSC633033; CHEMBL1988915; NSC-633033; NCI60_010930; 9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide; 9-[4-(carbamimidoylsulfamoyl)anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633033	.	.	.	.	695.8	C33H29N9O5S2	241	1370	3.9	49	5	11	9	"InChI=1S/C33H29N9O5S2/c1-19-18-20(2)37-33(36-19)42-49(46,47)24-16-12-22(13-17-24)39-31(43)27-8-5-7-26-29(25-6-3-4-9-28(25)40-30(26)27)38-21-10-14-23(15-11-21)48(44,45)41-32(34)35/h3-18H,1-2H3,(H,38,40)(H,39,43)(H4,34,35,41)(H,36,37,42)"	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)C	PPFMQWPCXRGGBI-UHFFFAOYSA-N
DG53611	"9-[4-(carbamimidoylsulfamoyl)anilino]-1-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide"	365421	"NSC633041; CHEMBL2006023; NSC-633041; NCI60_010938; 9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-1-chloro-N-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide; 9-[4-(carbamimidoylsulfamoyl)anilino]-1-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633041	.	.	.	.	730.2	C33H28ClN9O5S2	241	1410	4.5	50	5	11	9	"InChI=1S/C33H28ClN9O5S2/c1-18-17-19(2)38-33(37-18)43-50(47,48)23-13-9-21(10-14-23)40-31(44)25-15-16-26(34)28-29(24-5-3-4-6-27(24)41-30(25)28)39-20-7-11-22(12-8-20)49(45,46)42-32(35)36/h3-17H,1-2H3,(H,39,41)(H,40,44)(H4,35,36,42)(H,37,38,43)"	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C4=C(C5=CC=CC=C5N=C34)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)Cl)C	OCSVZQMFMSYECI-UHFFFAOYSA-N
DG53612	"[5-Amino-4-dodecanoyloxy-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydropyran-2-yl]methyl dodecanoate"	365440	"NSC633065; CHEMBL1983435; NSC-633065; NCI60_010953; [5-amino-4-dodecanoyloxy-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydropyran-2-yl]methyl dodecanoate; 2,4(1H,3H)-Pyrimidinedione, 1-[2-amino-2-deoxy-3,6-bis-O-(1-oxododecyl)hexopyranosyl]-5-fluoro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633065	.	.	.	.	655.8	C34H58FN3O8	158	965	8.1	46	3	10	26	"InChI=1S/C34H58FN3O8/c1-3-5-7-9-11-13-15-17-19-21-27(39)44-24-26-30(41)31(46-28(40)22-20-18-16-14-12-10-8-6-4-2)29(36)33(45-26)38-23-25(35)32(42)37-34(38)43/h23,26,29-31,33,41H,3-22,24,36H2,1-2H3,(H,37,42,43)"	CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)N)OC(=O)CCCCCCCCCCC)O	LDLCHPSKVZAGIV-UHFFFAOYSA-N
DG53613	"8-(3-Amino-4-methyl-benzoylamino)-naphthalene-1,3,5-trisulfonic acid"	365462	"NSC633094; SCHEMBL3295536; CHEMBL2008294; ZINC1622837; NCI60_010961; 8-(3-Amino-p-toluamido)-1,3,5-napthalene-trisulfonic acid; 8-(3-Amino-4-methyl-benzoylamino)-naphthalene-1,3,5-trisulfonic acid; 8-(3-Amino-p-toluamido)-1,3,5-napthalene-trisulfonic acid trisodium salt; 8-[(3-amino-4-methyl-benzoyl)amino]naphthalene-1,3,5-trisulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633094	.	.	.	.	516.5	C18H16N2O10S3	243	1060	-0.1	33	5	11	5	"InChI=1S/C18H16N2O10S3/c1-9-2-3-10(6-13(9)19)18(21)20-14-4-5-15(32(25,26)27)12-7-11(31(22,23)24)8-16(17(12)14)33(28,29)30/h2-8H,19H2,1H3,(H,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)"	CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N	SYKJXMUROJUIOL-UHFFFAOYSA-N
DG53614	Samarium(III) Ionophore II	365480	"Samarium(III) Ionophore II; 120097-53-2; NSC633113; 3,5,12,14-tetraethyl-7,8,9,10-tetrathia-3,5,12,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(11),2(6)-diene-4,13-dithione; tetraethyl[ ]dithione; Samarium(iii)ionophore ii; 1,3,8,10-Tetraethyl-1,3,8,10-tetrahydro-4,5,6,7-tetrathia-1,3,8,10-tetraaza-dicyclopenta[a,c]cyclooctene-2,9-dithione; CHEMBL2004616; DTXSID80327126; NSC-633113; NCI60_010979; J-004256; Samarium(III) Ionophore II, Selectophore(TM), function tested; 1,3,1',3'-Tetraethyl-5,5'-pertetrathio-4,4'-bi[4-imidazoline]-2,2'-dithione; [1,3,4]Tetrathiocino[5,6-d:7,8-d']diimidazole- 2,9-dithione, 1,3,8,10-tetraethyl-1,2,3,8,9,10-hexahydro-; 1,3,8,10-Tetraethyl-1,3,8,10-tetrahydro-4,5,6,7-tetrathia-1,3,8,10-tetraazadicyclopenta[a,c]cyclooctene-2,9-dithione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633113	.	.	.	.	436.7	C14H20N4S6	178	577	2.9	24	0	6	4	"InChI=1S/C14H20N4S6/c1-5-15-9-10-12(18(8-4)14(20)16(10)6-2)22-24-23-21-11(9)17(7-3)13(15)19/h5-8H2,1-4H3"	CCN1C2=C(N(C1=S)CC)SSSSC3=C2N(C(=S)N3CC)CC	UCISCPCNYYIDSW-UHFFFAOYSA-N
DG53615	"2-Ethyl-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine"	365483	"NSC633116; CHEMBL1969283; 2-Ethyl-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine; NSC-633116; NCI60_010982; N-(2-Ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-yl)-N-phenylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633116	.	.	.	.	308.4	C19H20N2S	53.2	368	5.8	22	1	3	3	"InChI=1S/C19H20N2S/c1-2-14-12-16-18(20-13-8-4-3-5-9-13)15-10-6-7-11-17(15)21-19(16)22-14/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,20,21)"	CCC1=CC2=C(C3=C(CCCC3)N=C2S1)NC4=CC=CC=C4	BQOPARLZERGKDO-UHFFFAOYSA-N
DG53616	"N-(3-(2,6-Dimethyl-4-morpholinyl)-1H-isoindol-1-ylidene)-4-methylaniline"	365485	"NSC633118; CHEMBL1996487; N-(3-(2,6-Dimethyl-4-morpholinyl)-1H-isoindol-1-ylidene)-4-methylaniline; NSC-633118; NCI60_010984; 3-(2,6-dimethylmorpholin-4-yl)-N-(p-tolyl)isoindol-1-imine; N-(3-(2,6-Dimethyl-4-morpholinyl)-1H-isoindol-1-ylidene)-N-(4-methylphenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633118	.	.	.	.	333.4	C21H23N3O	37.2	525	3.7	25	0	2	2	"InChI=1S/C21H23N3O/c1-14-8-10-17(11-9-14)22-20-18-6-4-5-7-19(18)21(23-20)24-12-15(2)25-16(3)13-24/h4-11,15-16H,12-13H2,1-3H3"	CC1CN(CC(O1)C)C2=NC(=NC3=CC=C(C=C3)C)C4=CC=CC=C42	XTZJXSTUONMORK-UHFFFAOYSA-N
DG53617	"2-(1H-Benzimidazol-2-ylmethyl)-1,3-thiazol-4(5H)-one"	365514	"NSC633194; 2-(1H-Benzimidazol-2-ylmethyl)-1,3-thiazol-4(5H)-one; Oprea1_564113; CHEMBL2005154; ZINC12555090; NSC-633194; NCI60_011012; 2-(1H-benzimidazol-2-ylmethyl)thiazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633194	.	.	.	.	231.28	C11H9N3OS	83.4	331	1.5	16	1	3	2	"InChI=1S/C11H9N3OS/c15-10-6-16-11(14-10)5-9-12-7-3-1-2-4-8(7)13-9/h1-4H,5-6H2,(H,12,13)"	C1C(=O)N=C(S1)CC2=NC3=CC=CC=C3N2	IJSXLHIMKVVISB-UHFFFAOYSA-N
DG53618	"5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 6-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-"	365515	"NSC633203; 125766-38-3; 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 6-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-; BRN 6017215; 6-(4-Chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7(6H)-dione; CHEMBL2002498; DTXSID40154874; ZINC1622877; NSC-633203; 6-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione; NCI60_011013"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633203	.	.	.	.	446.9	C19H15ClN4O5S	118	743	4	30	0	7	5	"InChI=1S/C19H15ClN4O5S/c1-27-13-8-10(9-14(28-2)15(13)29-3)16-22-24-18(30-16)21-17(25)23(19(24)26)12-6-4-11(20)5-7-12/h4-9H,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2=NN3C(=NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)S2	CDXZJOOBZOBFAO-UHFFFAOYSA-N
DG53619	"5,6,11,12-Tetramethyl-5,5a,6,11,11a,12-hexahydroquinoxalino[2,3-b]quinoxaline"	365519	"NSC633207; 5,6,11,12-Tetramethyl-5,5a,6,11,11a,12-hexahydroquinoxalino[2,3-b]quinoxaline; CHEMBL1993839; ZINC1622880; 5,6,11,12-tetramethyl-5a,11a-dihydroquinoxalino[2,3-b]quinoxaline; NSC-633207; NCI60_011017"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633207	.	.	.	.	294.4	C18H22N4	13	340	4	22	0	4	0	"InChI=1S/C18H22N4/c1-19-13-9-5-6-10-14(13)21(3)18-17(19)20(2)15-11-7-8-12-16(15)22(18)4/h5-12,17-18H,1-4H3"	CN1C2C(N(C3=CC=CC=C31)C)N(C4=CC=CC=C4N2C)C	BTCNUEMVJDOTFX-UHFFFAOYSA-N
DG53620	"6-chloro-N-[(4-chlorophenyl)carbamoyl]imidazo[2,1-b]thiazole-5-carboxamide"	365521	"NSC633209; NCIMech_000506; CHEMBL1986657; ZINC1622881; CCG-35932; Urea,1-b]-thiazol-5-yl)carbonyl]-; Imidazo[2,1-b]thiazole-5-carboxamide,N-[(4-chlorophenyl)-aminocarbonyl]-; NSC-633209; NCI60_011019; Imidazo[2, N-[(4-chlorophenyl)-aminocarbonyl]-; 6-chloro-N-[(4-chlorophenyl)carbamoyl]imidazo[2,1-b]thiazole-5-carboxamide; Urea, N-(4-chlorophenyl)-N'-[(6-chloroimidazo[2,1-b]-thiazol-5-yl)carbonyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633209	.	.	.	.	355.2	C13H8Cl2N4O2S	104	448	4.8	22	2	4	2	"InChI=1S/C13H8Cl2N4O2S/c14-7-1-3-8(4-2-7)16-12(21)18-11(20)9-10(15)17-13-19(9)5-6-22-13/h1-6H,(H2,16,18,20,21)"	C1=CC(=CC=C1NC(=O)NC(=O)C2=C(N=C3N2C=CS3)Cl)Cl	CQGMCYMCGKVWNT-UHFFFAOYSA-N
DG53621	"8-(3-(3-Aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid"	365537	"NSC633234; 8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid; CHEMBL2009384; SCHEMBL17903265; ZINC82186151; NCI60_011027; 8-[[3-[(3-aminobenzoyl)amino]-4-methyl-benzoyl]amino]naphthalene-1,3,5-trisulfonic acid; 8-[3-(m-Aminobenzamido)-4-methylbenzamido]-1,3,5- naphthalenetrisulfonic acid; H3U"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633234	.	.	.	.	635.6	C25H21N3O11S3	273	1340	0.8	42	6	12	7	"InChI=1S/C25H21N3O11S3/c1-13-5-6-15(10-20(13)28-24(29)14-3-2-4-16(26)9-14)25(30)27-19-7-8-21(41(34,35)36)18-11-17(40(31,32)33)12-22(23(18)19)42(37,38)39/h2-12H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32,33)(H,34,35,36)(H,37,38,39)"	CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)N	FWPDBHFZCRXISJ-UHFFFAOYSA-N
DG53622	"2,6-Bis(4-fluorobenzoyl)pyridine"	365542	"NSC633242; MLS002701653; 113736-14-4; SCHEMBL8151883; CHEMBL1981049; DTXSID60327129; 2,6-Bis(4-fluorobenzoyl)pyridine; ZINC1622912; NSC-633242; NCI60_011031; SMR001565253; Methanone,6-pyridinediylbis[(4-fluorophenyl)-; Methanone, {2,6-pyridinediylbis[(4-fluorophenyl)-}; [6-(4-fluorobenzoyl)-2-pyridyl]-(4-fluorophenyl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633242	.	.	.	.	323.3	C19H11F2NO2	47	414	4.4	24	0	5	4	InChI=1S/C19H11F2NO2/c20-14-8-4-12(5-9-14)18(23)16-2-1-3-17(22-16)19(24)13-6-10-15(21)11-7-13/h1-11H	C1=CC(=NC(=C1)C(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)F	ZWBHLMOYZNLVNU-UHFFFAOYSA-N
DG53623	"4,10-Bis(3-ethynylphenyl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone"	365547	"NSC633253; MLS002701654; bis(3-ethynylphenyl)[ ]tetrone; CHEMBL1878900; NSC-633253; NCI60_011041; SMR001565254; {4,8-Ethenobenzo[1,2-c:4,5-c']dipyrrole-1,3,5,7(2H,6H)-} tetrone, 2, 6-bis(3-ethynylphenyl)-3a,4,4a,7a,8,8a- hexahydro-; 4,2-c:4,5-c']dipyrrole-1,3,5,7(2H,6H)- tetrone, 2,6-bis(3-ethynylphenyl)-3a,4,4a,7a,8,8a- hexahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633253	.	.	.	.	446.5	C28H18N2O4	74.8	974	2.3	34	0	4	4	"InChI=1S/C28H18N2O4/c1-3-15-7-5-9-17(13-15)29-25(31)21-19-11-12-20(22(21)26(29)32)24-23(19)27(33)30(28(24)34)18-10-6-8-16(4-2)14-18/h1-2,5-14,19-24H"	C#CC1=CC(=CC=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C(=O)N(C5=O)C6=CC=CC(=C6)C#C	FQMQJOTYMKWZHX-UHFFFAOYSA-N
DG53624	"3-[10-(3-Cyanophenyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-4-yl]benzonitrile"	365552	"NSC633258; CHEMBL1991174; NSC-633258; NCI60_011046; 3-[(3-cyanophenyl)-tetraoxo-[ ]yl]benzonitrile; 4,2-c:4,5-c']dipyrrole-1,3,5,7-tetrone, 2,6-bis(3-cyanophenyl)-1,2,3,3a,4,4a,5,6,7,7a,8,8a- dodecahydro-; Benzonitrile, 3,3'-(3a,4,4a,5,7,7a,8,8a-octahydro-1,3,5,7-tetraoxo-4,8-ethenopyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633258	.	.	.	.	448.4	C26H16N4O4	122	980	1.3	34	0	6	2	"InChI=1S/C26H16N4O4/c27-11-13-3-1-5-15(9-13)29-23(31)19-17-7-8-18(20(19)24(29)32)22-21(17)25(33)30(26(22)34)16-6-2-4-14(10-16)12-28/h1-10,17-22H"	C1=CC(=CC(=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C(=O)N(C5=O)C6=CC=CC(=C6)C#N)C#N	GZQWFNJRACDGTN-UHFFFAOYSA-N
DG53625	"2,3-Dihydro-1H-cyclopenta[b]quinoline-5,8-dione"	365559	"NSC633320; 2,3-Dihydro-1H-cyclopenta[b]quinoline-5,8-dione; CHEMBL1985816; NSC-633320; NCI60_011068"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633320	.	.	.	.	199.2	C12H9NO2	47	348	1.4	15	0	3	0	"InChI=1S/C12H9NO2/c14-10-4-5-11(15)12-8(10)6-7-2-1-3-9(7)13-12/h4-6H,1-3H2"	C1CC2=CC3=C(C(=O)C=CC3=O)N=C2C1	WNHAZUDVKNNWHG-UHFFFAOYSA-N
DG53626	"7-Methoxy-5-oxo-2,3,10,10a-tetrahydro-5H-[1,3]oxazolo[3,2-b]isoquinoline-10-carboxylic acid"	365560	"NSC633321; 7-Methoxy-5-oxo-2,3,10,10a-tetrahydro-5H-[1,3]oxazolo[3,2-b]isoquinoline-10-carboxylic acid; CHEMBL1997551; NSC-633321; NCI60_011069; 2,3,10,10a-Tetrahydro-7-methoxy-5-oxo-5H-oxazolo[3,2-b]isoquinoline-10-carboxylic acid; 7-methoxy-5-oxo-2,3,10,10a-tetrahydrooxazolo[3,2-b]isoquinoline-10-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633321	.	.	.	.	263.25	C13H13NO5	76.1	399	0.4	19	1	5	2	"InChI=1S/C13H13NO5/c1-18-7-2-3-8-9(6-7)11(15)14-4-5-19-12(14)10(8)13(16)17/h2-3,6,10,12H,4-5H2,1H3,(H,16,17)"	COC1=CC2=C(C=C1)C(C3N(C2=O)CCO3)C(=O)O	AOJTZPDTBSZALY-UHFFFAOYSA-N
DG53627	"1-(6,7-Dichloro-1-(4-chlorophenyl)-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol"	365567	"NSC633362; 1-(6,7-Dichloro-1-(4-chlorophenyl)-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol; CHEMBL1987724; NSC-633362; 1-[6,7-dichloro-1-(4-chlorophenyl)pyrazolo[4,3-b]quinoxalin-3-yl]butane-1,2,3,4-tetrol; NCI60_011075"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633362	.	.	.	.	469.7	C19H15Cl3N4O4	125	588	2.1	30	4	7	5	"InChI=1S/C19H15Cl3N4O4/c20-8-1-3-9(4-2-8)26-19-16(15(25-26)18(30)17(29)14(28)7-27)23-12-5-10(21)11(22)6-13(12)24-19/h1-6,14,17-18,27-30H,7H2"	C1=CC(=CC=C1N2C3=NC4=CC(=C(C=C4N=C3C(=N2)C(C(C(CO)O)O)O)Cl)Cl)Cl	AVORHLCCZHJPOW-UHFFFAOYSA-N
DG53628	"1-(6,7-Dichloro-1-(4-fluorophenyl)-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol"	365569	"NSC633364; 1-(6,7-Dichloro-1-(4-fluorophenyl)-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol; CHEMBL1966682; NSC-633364; 1-[6,7-dichloro-1-(4-fluorophenyl)pyrazolo[4,3-b]quinoxalin-3-yl]butane-1,2,3,4-tetrol; NCI60_011077"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633364	.	.	.	.	453.2	C19H15Cl2FN4O4	125	591	1.6	30	4	8	5	"InChI=1S/C19H15Cl2FN4O4/c20-10-5-12-13(6-11(10)21)24-19-16(23-12)15(18(30)17(29)14(28)7-27)25-26(19)9-3-1-8(22)2-4-9/h1-6,14,17-18,27-30H,7H2"	C1=CC(=CC=C1N2C3=NC4=CC(=C(C=C4N=C3C(=N2)C(C(C(CO)O)O)O)Cl)Cl)F	UOJGTRSFHPXGMP-UHFFFAOYSA-N
DG53629	"1-Phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[3,4-b]quinoxaline"	365574	"NSC633369; 1-Phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[3,4-b]quinoxaline; CHEMBL2003672; ZINC1622950; 2-phenyl-5-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)-1,3,4-oxadiazole; NSC-633369; NCI60_011082"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633369	.	.	.	.	390.4	C23H14N6O	82.5	580	3.8	30	0	6	3	InChI=1S/C23H14N6O/c1-3-9-15(10-4-1)22-26-27-23(30-22)20-19-21(25-18-14-8-7-13-17(18)24-19)29(28-20)16-11-5-2-6-12-16/h1-14H	C1=CC=C(C=C1)C2=NN=C(O2)C3=NN(C4=NC5=CC=CC=C5N=C34)C6=CC=CC=C6	BYJHUDSOAJICCH-UHFFFAOYSA-N
DG53630	"3-(5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline"	365575	"NSC633370; 3-(5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline; CHEMBL1984647; NSC-633370; NCI60_011083; 2-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)-5-(p-tolyl)-1,3,4-oxadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633370	.	.	.	.	404.4	C24H16N6O	82.5	607	4.2	31	0	6	3	"InChI=1S/C24H16N6O/c1-15-11-13-16(14-12-15)23-27-28-24(31-23)21-20-22(26-19-10-6-5-9-18(19)25-20)30(29-21)17-7-3-2-4-8-17/h2-14H,1H3"	CC1=CC=C(C=C1)C2=NN=C(O2)C3=NN(C4=NC5=CC=CC=C5N=C34)C6=CC=CC=C6	DWFLMLUPDGUBBY-UHFFFAOYSA-N
DG53631	"2,3,4,9-Tetrahydro-2-((dibenzylamino)acetyl)-1-(3-pyridinyl)-1H-pyrido(3,4-b)indole"	365594	"NSC633395; 2,3,4,9-Tetrahydro-2-((dibenzylamino)acetyl)-1-(3-pyridinyl)-1H-pyrido(3,4-b)indole; 110785-21-2; 2-(dibenzylamino)-1-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone; CHEMBL1994508; 2-((Dibenzylamino)acetyl)-1-(3-pyridyl)-1,2,3,4-tetrahydro-beta-carboline; NSC-633395; 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-((bis(phenylmethyl)amino)acetyl)-1-(3-pyridinyl)-; NCI60_011101; 2-(dibenzylamino)-1-[1-(3-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone; N,N-Dibenzyl-2-oxo-2-(1-(3-pyridinyl)-1,3,4,9-tetrahydro-2H-.beta.-carbolin-2-yl)ethanamine; N,N-Dibenzyl-N-(2-oxo-2-(1-(3-pyridinyl)-1,3,4,9-tetrahydro-2H-.beta.-carbolin-2-yl)ethyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633395	.	.	.	.	486.6	C32H30N4O	52.2	712	5.1	37	1	3	7	"InChI=1S/C32H30N4O/c37-30(23-35(21-24-10-3-1-4-11-24)22-25-12-5-2-6-13-25)36-19-17-28-27-15-7-8-16-29(27)34-31(28)32(36)26-14-9-18-33-20-26/h1-16,18,20,32,34H,17,19,21-23H2"	C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CN(CC5=CC=CC=C5)CC6=CC=CC=C6	DGCBXFMNTWSXAW-UHFFFAOYSA-N
DG53632	"2,3,4,9-Tetrahydro-2-((4-phenyl-1-piperazinyl)acetyl)-1-(3-pyridinyl)-1H-pyrido(3,4-b)indole"	365596	"NSC633397; 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-((4-phenyl-1-piperazinyl)acetyl)-1-(3-pyridinyl)-; 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-2-[(4-phenyl-1-piperazinyl)acetyl]-1-(3-pyridinyl)-; 110785-23-4; 2,3,4,9-Tetrahydro-2-((4-phenyl-1-piperazinyl)acetyl)-1-(3-pyridinyl)-1H-pyrido(3,4-b)indole; 2-((4-Phenyl-1-piperazinyl)acetyl)-1-(3-pyridyl)-1,2,3,4-tetrahydro-beta-carboline; CHEMBL2004802; NSC-633397; NCI60_011103; 2-(4-phenylpiperazin-1-yl)-1-[1-(3-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633397	.	.	.	.	451.6	C28H29N5O	55.5	688	3.7	34	1	4	4	"InChI=1S/C28H29N5O/c34-26(20-31-15-17-32(18-16-31)22-8-2-1-3-9-22)33-14-12-24-23-10-4-5-11-25(23)30-27(24)28(33)21-7-6-13-29-19-21/h1-11,13,19,28,30H,12,14-18,20H2"	C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CN5CCN(CC5)C6=CC=CC=C6	LDUINWUBBPJMRQ-UHFFFAOYSA-N
DG53633	"1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-((4-(3-chlorophenyl)-1-piperazinyl)acetyl)-1-(3-pyridinyl)-"	365597	"NSC633398; CHEMBL1999383; NSC-633398; 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-((4-(3-chlorophenyl)-1-piperazinyl)acetyl)-1-(3-pyridinyl)-; 2-((4-(3-Chlorophenyl)-1-piperazinyl)acetyl)-1-(3-pyridyl)-1,2,3,4-tetrahydro-beta-carboline; NCI60_011104; 110785-24-5; 2-((4-(3-Chlorophenyl)-1-piperazinyl)acetyl)-1-(3-pyridinyl)-2,3,4,9-tetrahydro-1H-.beta.-carboline; 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-[1-(3-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633398	.	.	.	.	486	C28H28ClN5O	55.5	730	4.3	35	1	4	4	"InChI=1S/C28H28ClN5O/c29-21-6-3-7-22(17-21)33-15-13-32(14-16-33)19-26(35)34-12-10-24-23-8-1-2-9-25(23)31-27(24)28(34)20-5-4-11-30-18-20/h1-9,11,17-18,28,31H,10,12-16,19H2"	C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CN5CCN(CC5)C6=CC(=CC=C6)Cl	SYPKBQIMDNYPFL-UHFFFAOYSA-N
DG53634	"2-[2-(4-Phenylpiperazin-1-yl)ethyl]-1-(3-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole"	365601	"NSC633402; CHEMBL1984862; NSC-633402; NCI60_011108; 2-[2-(4-phenylpiperazin-1-yl)ethyl]-1-(3-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole; 2-(2-(4-Phenyl-1-piperazinyl)ethyl)-1-(3-pyridinyl)-2,3,4,9-tetrahydro-1H-.beta.-carboline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633402	.	.	.	.	437.6	C28H31N5	38.4	613	4.2	33	1	4	5	"InChI=1S/C28H31N5/c1-2-8-23(9-3-1)32-18-15-31(16-19-32)17-20-33-14-12-25-24-10-4-5-11-26(24)30-27(25)28(33)22-7-6-13-29-21-22/h1-11,13,21,28,30H,12,14-20H2"	C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)CCN5CCN(CC5)C6=CC=CC=C6	ZYQYXIGIRBGVPH-UHFFFAOYSA-N
DG53635	"1,2,3,4-Tetrahydro-2-(3-(dimethylamino)-1-oxopropyl)-1-(3-pyridinyl)-9H-pyrido(3,4-b)indole"	365603	"NSC633404; CHEMBL2007287; NSC-633404; 1,2,3,4-Tetrahydro-2-(3-(dimethylamino)-1-oxopropyl)-1-(3-pyridinyl)-9H-pyrido(3,4-b)indole; 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-(3-(dimethylamino)-1-oxopropyl)-1-(3-pyridinyl)-; 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-2-(3-(dimethylamino)-1-oxopropyl)-1-(3-pyridinyl)-; NCI60_011110; 119464-29-8; 3-(dimethylamino)-1-[1-(3-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one; N,N-Dimethyl-3-oxo-3-(1-(3-pyridinyl)-1,3,4,9-tetrahydro-2H-.beta.-carbolin-2-yl)-1-propanamine; N,N-Dimethyl-N-(3-oxo-3-(1-(3-pyridinyl)-1,3,4,9-tetrahydro-2H-.beta.-carbolin-2-yl)propyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633404	.	.	.	.	348.4	C21H24N4O	52.2	496	2	26	1	3	4	"InChI=1S/C21H24N4O/c1-24(2)12-10-19(26)25-13-9-17-16-7-3-4-8-18(16)23-20(17)21(25)15-6-5-11-22-14-15/h3-8,11,14,21,23H,9-10,12-13H2,1-2H3"	CN(C)CCC(=O)N1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24	YZJNMSAVSZFSRX-UHFFFAOYSA-N
DG53636	"1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-(3-(4-(3-chlorophenyl)-1-piperazinyl)-1-oxopropyl)-1-(3-pyridinyl)-"	365607	"NSC633408; CHEMBL1976267; NSC-633408; 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-(3-(4-(3-chlorophenyl)-1-piperazinyl)-1-oxopropyl)-1-(3-pyridinyl)-; NCI60_011114; 119464-23-2; 2-(3-(4-(3-Chlorophenyl)-1-piperazinyl)propanoyl)-1-(3-pyridinyl)-2,3,4,9-tetrahydro-1H-.beta.-carboline; 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-[1-(3-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633408	.	.	.	.	500	C29H30ClN5O	55.5	745	4.2	36	1	4	5	"InChI=1S/C29H30ClN5O/c30-22-6-3-7-23(19-22)34-17-15-33(16-18-34)13-11-27(36)35-14-10-25-24-8-1-2-9-26(24)32-28(25)29(35)21-5-4-12-31-20-21/h1-9,12,19-20,29,32H,10-11,13-18H2"	C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CCN5CCN(CC5)C6=CC(=CC=C6)Cl	WBNHOLRZSALXBA-UHFFFAOYSA-N
DG53637	"1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-2-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-9-methyl-"	365674	"NSC633527; 142944-43-2; 1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-2-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-9-methyl-; 1H-Pyrido[3,4-b]indol-1-one, 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2,3,4,9-tetrahydro-9-methyl-; CHEMBL1996089; DTXSID60162234; ZINC1623024; NSC-633527; 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-9-methyl-3,4-dihydropyrido[3,4-b]indol-1-one; NCI60_011162; 3,4-Dihydro-2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-9-methyl-beta-carbolin-1(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633527	.	.	.	.	437	C25H29ClN4O	31.7	625	4.4	31	0	3	5	"InChI=1S/C25H29ClN4O/c1-27-23-9-3-2-8-21(23)22-10-13-30(25(31)24(22)27)12-5-11-28-14-16-29(17-15-28)20-7-4-6-19(26)18-20/h2-4,6-9,18H,5,10-17H2,1H3"	CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCN4CCN(CC4)C5=CC(=CC=C5)Cl	ZRYZUZQDKWTLMK-UHFFFAOYSA-N
DG53638	"1H-Pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-2-[4-(4-phenyl-1-piperazinyl)butyl]-9-methyl-"	365677	"NSC633530; MLS002701656; 184691-55-2; 1H-Pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-2-[4-(4-phenyl-1-piperazinyl)butyl]-9-methyl-; CHEMBL1719815; DTXSID50939871; ZINC1623027; NSC-633530; 9-methyl-2-[4-(4-phenylpiperazin-1-yl)butyl]-3,4-dihydropyrido[3,4-b]indol-1-one; 1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-9-methyl-2-(4-(4-phenyl-1-piperazinyl)butyl)-; 2,3,4,9-Tetrahydro-9-methyl-2-(4-(4-phenyl-1-piperazinyl)butyl)-1H-pyrido(3,4-b)indol-1-one; NCI60_011165; SMR001565256; 1H-Pyrido[3, 2,3,4,9-tetrahydro-2-[4-(4- phenyl-1-piperazinyl)butyl]-9-methyl-; 9-Methyl-2-[4-(4-phenylpiperazin-1-yl)butyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633530	.	.	.	.	416.6	C26H32N4O	31.7	598	4.2	31	0	3	6	"InChI=1S/C26H32N4O/c1-27-24-12-6-5-11-22(24)23-13-16-30(26(31)25(23)27)15-8-7-14-28-17-19-29(20-18-28)21-9-3-2-4-10-21/h2-6,9-12H,7-8,13-20H2,1H3"	CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCCN4CCN(CC4)C5=CC=CC=C5	VCJFHCNTZJFPPV-UHFFFAOYSA-N
DG53639	"1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-2-(4-(4-(3-chlorophenyl)-1-piperazinyl)butyl)-9-methyl-"	365678	"NSC633531; 184691-56-3; CHEMBL1972537; DTXSID10939872; NSC-633531; 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-9-methyl-3,4-dihydropyrido[3,4-b]indol-1-one; 1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-2-(4-(4-(3-chlorophenyl)-1-piperazinyl)butyl)-9-methyl-; NCI60_011166; 2-(4-(4-(3-Chlorophenyl)-1-piperazinyl)butyl)-9-methyl-2,3,4,9-tetrahydro-1H-.beta.-carbolin-1-one; 2-{4-[4-(3-Chlorophenyl)piperazin-1-yl]butyl}-9-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633531	.	.	.	.	451	C26H31ClN4O	31.7	639	4.8	32	0	3	6	"InChI=1S/C26H31ClN4O/c1-28-24-10-3-2-9-22(24)23-11-14-31(26(32)25(23)28)13-5-4-12-29-15-17-30(18-16-29)21-8-6-7-20(27)19-21/h2-3,6-10,19H,4-5,11-18H2,1H3"	CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCCN4CCN(CC4)C5=CC(=CC=C5)Cl	ZXDMGMNETBRKMC-UHFFFAOYSA-N
DG53640	"1-(9-methoxy-11,12-dihydro-6H-indolo[1,2-b][2]benzazepin-13-yl)ethanone"	365697	"NSC633551; CHEMBL1970018; 1-(9-methoxy-11,12-dihydro-6H-indolo[1,2-b][2]benzazepin-13-yl)ethanone; NSC-633551; NCI60_011186; 1-(3-Methoxy-5,13-dihydro-6H-indolo[1,2-b][2]benzazepin-7-yl)ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633551	.	.	.	.	305.4	C20H19NO2	31.2	451	3.6	23	0	2	2	"InChI=1S/C20H19NO2/c1-13(22)20-17-5-3-4-6-18(17)21-12-15-7-9-16(23-2)11-14(15)8-10-19(20)21/h3-7,9,11H,8,10,12H2,1-2H3"	CC(=O)C1=C2CCC3=C(CN2C4=CC=CC=C41)C=CC(=C3)OC	YPXVIVXDUHGZQF-UHFFFAOYSA-N
DG53641	NSC633552	365698	"Spiro[4H-1-benzothiopyran-4,2'-imidazolidine]-2,3-dicarboxylic acid, 4a,7,8,8a-tetrahydro-7,7-dimethyl-5-(methylthio)-1',3'-bis(phenylmethyl)-, dimethyl ester; NSC633552; CHEMBL1986836; NSC-633552; NCI60_011187; Spiro[4H-1-benzothiopyran-4,2'-imidazolidine]-2,3-dicarboxylic acid, 4a,7,8,8a-tetrahydro-7,7-dimethyl-5-(methylthio)-1',3'-bis(phenylmethyl)-, dimethyl ester; dimethyl 1',3'-dibenzyl-7,7-dimethyl-5-methylsulfanyl-spiro[8,8a-dihydro-4aH-thiochromene-4,2'-imidazolidine]-2,3-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633552	.	.	.	.	578.8	C32H38N2O4S2	110	984	5.8	40	0	8	9	"InChI=1S/C32H38N2O4S2/c1-31(2)18-24(39-5)26-25(19-31)40-28(30(36)38-4)27(29(35)37-3)32(26)33(20-22-12-8-6-9-13-22)16-17-34(32)21-23-14-10-7-11-15-23/h6-15,18,25-26H,16-17,19-21H2,1-5H3"	CC1(CC2C(C(=C1)SC)C3(C(=C(S2)C(=O)OC)C(=O)OC)N(CCN3CC4=CC=CC=C4)CC5=CC=CC=C5)C	HFNMXHLBLCDVMK-UHFFFAOYSA-N
DG53642	Acylfulvene	365701	Acylfulvene; NSC633555; (-)-acylfulvene; 125392-76-9; CHEMBL121987; SCHEMBL17168188; DTXSID30327131; BDBM50410833; NSC-633555; NCI60_011189; Q4678004	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633555	.	.	.	.	216.27	C14H16O2	37.3	501	1.1	16	1	2	0	"InChI=1S/C14H16O2/c1-8-6-10-9(2)14(4-5-14)13(3,16)12(15)11(10)7-8/h6-7,16H,4-5H2,1-3H3/t13-/m0/s1"	CC1=CC2=C(C3(CC3)[C@@](C(=O)C2=C1)(C)O)C	HLAKJNQXUARACO-ZDUSSCGKSA-N
DG53643	D-Nal-Cys-Tyr-D-Trp-Lys-Val-Cys-ThrNH2	365716	CHEMBL2002507; SCHEMBL14817785; NSC633656; NSC-633656; NCI60_011204; D-Nal-Cys-Tyr-D-Trp-Lys-Val-Cys-ThrNH2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633656	.	.	.	.	1098.3	C54H71N11O10S2	357	1970	2.6	77	15	14	29	"InChI=1S/C54H71N11O10S2/c1-29(2)45(54(75)63-44(28-77)53(74)65-46(30(3)66)47(57)68)64-49(70)40(14-8-9-21-55)59-51(72)42(25-35-26-58-39-13-7-6-12-37(35)39)61-50(71)41(24-31-16-19-36(67)20-17-31)60-52(73)43(27-76)62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67,76-77H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)"	CC(C)C(C(=O)NC(CS)C(=O)NC(C(C)O)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CS)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)N	UGVPPRZHXAMSJP-UHFFFAOYSA-N
DG53644	D-Phe-Cys-Tyr-D-Trp-Lys-Ser-Cys-THr NH2	365717	NSC633657; CHEMBL2005183; SCHEMBL13038117; NSC-633657; NCI60_011205; D-Phe-Cys-Tyr-D-Trp-Lys-Ser-Cys-THr NH2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633657	.	.	.	.	1036.2	C48H65N11O11S2	377	1790	-0.7	72	16	15	29	"InChI=1S/C48H65N11O11S2/c1-26(61)40(41(51)63)59-48(70)39(25-72)58-46(68)37(23-60)56-43(65)34(13-7-8-18-49)53-45(67)36(21-29-22-52-33-12-6-5-11-31(29)33)55-44(66)35(20-28-14-16-30(62)17-15-28)54-47(69)38(24-71)57-42(64)32(50)19-27-9-3-2-4-10-27/h2-6,9-12,14-17,22,26,32,34-40,52,60-62,71-72H,7-8,13,18-21,23-25,49-50H2,1H3,(H2,51,63)(H,53,67)(H,54,69)(H,55,66)(H,56,65)(H,57,64)(H,58,68)(H,59,70)"	CC(C(C(=O)N)NC(=O)C(CS)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CS)NC(=O)C(CC4=CC=CC=C4)N)O	JNYXWLNXPFJNJX-UHFFFAOYSA-N
DG53645	D-F5Phe-Glu-Trp-Ala-Val-Gly-His-Leu-OMe	365719	NSC633659; CHEMBL1966619; NSC-633659; NCI60_011207; D-F5Phe-Glu-Trp-Ala-Val-Gly-His-Leu-OMe	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633659	.	.	.	.	1062	C48H60F5N11O11	338	1980	0.5	75	11	18	28	"InChI=1S/C48H60F5N11O11/c1-21(2)13-33(48(74)75-6)63-46(72)32(15-25-18-55-20-58-25)60-34(65)19-57-47(73)41(22(3)4)64-42(68)23(5)59-45(71)31(14-24-17-56-29-10-8-7-9-26(24)29)62-44(70)30(11-12-35(66)67)61-43(69)28(54)16-27-36(49)38(51)40(53)39(52)37(27)50/h7-10,17-18,20-23,28,30-33,41,56H,11-16,19,54H2,1-6H3,(H,55,58)(H,57,73)(H,59,71)(H,60,65)(H,61,69)(H,62,70)(H,63,72)(H,64,68)(H,66,67)"	CC(C)CC(C(=O)OC)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)O)NC(=O)C(CC4=C(C(=C(C(=C4F)F)F)F)F)N	NPBTURXVEWXTKJ-UHFFFAOYSA-N
DG53646	D-Phe-Glu-Trp-Ala-Val-Gly-His-Leu-psiCH2NH-Cpa-NH2	365722	NSC633663; CHEMBL1989964; NSC-633663; NCI60_011210; D-Phe-Glu-Trp-Ala-Val-Gly-His-Leu-.psi.CH2NH-Cpa-NH2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633663	.	.	.	.	1124.7	C56H74ClN13O10	367	2060	1.2	80	13	13	32	"InChI=1S/C56H74ClN13O10/c1-31(2)21-39(28-62-44(50(59)74)23-35-15-17-37(57)18-16-35)66-55(79)46(25-38-27-60-30-64-38)67-47(71)29-63-56(80)49(32(3)4)70-51(75)33(5)65-54(78)45(24-36-26-61-42-14-10-9-13-40(36)42)69-53(77)43(19-20-48(72)73)68-52(76)41(58)22-34-11-7-6-8-12-34/h6-18,26-27,30-33,39,41,43-46,49,61-62H,19-25,28-29,58H2,1-5H3,(H2,59,74)(H,60,64)(H,63,80)(H,65,78)(H,66,79)(H,67,71)(H,68,76)(H,69,77)(H,70,75)(H,72,73)"	CC(C)CC(CNC(CC1=CC=C(C=C1)Cl)C(=O)N)NC(=O)C(CC2=CN=CN2)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCC(=O)O)NC(=O)C(CC5=CC=CC=C5)N	AVMVLQSSGZZCQF-UHFFFAOYSA-N
DG53647	NSC633670	365729	"1-(3-(4,5,6,7,8,9-Hexahydro-1H-cycloocta[d][1,2,3]triazol-1-yl)-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-2-yl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d][1,2,3]triazole; NSC633670; 1-(3-(4,5,6,7,8,9-Hexahydro-1H-cycloocta[d][1,2,3]triazol-1-yl)-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-2-yl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d][1,2,3]triazole; CHEMBL1983915; NSC-633670; 3-[3-(4,5,6,7,8,9-hexahydrocycloocta[d]triazol-3-yl)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-yl]-4,5,6,7,8,9-hexahydrocycloocta[d]triazole; NCI60_011216"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633670	.	.	.	.	458.6	C28H38N6	61.4	590	7.6	34	0	4	2	"InChI=1S/C28H38N6/c1-2-8-14-22-20-28(34-26-18-12-6-4-10-16-24(26)30-32-34)27(19-21(22)13-7-1)33-25-17-11-5-3-9-15-23(25)29-31-33/h19-20H,1-18H2"	C1CCCC2=CC(=C(C=C2CC1)N3C4=C(CCCCCC4)N=N3)N5C6=C(CCCCCC6)N=N5	JYWUWMAWPUDYRN-UHFFFAOYSA-N
DG53648	"9-N-(N'-chloroethyl-N'-1, dihydrochloride"	365734	"NSC633685; CHEMBL1979064; NSC-633685; 9-N-(N'-chloroethyl-N'-1, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633685	.	.	.	.	436.4	C23H31Cl2N3O	37.4	438	.	29	2	4	11	"InChI=1S/C23H30ClN3O.ClH/c1-27(16-13-24)15-8-4-3-7-14-25-23-19-9-5-6-10-21(19)26-22-12-11-18(28-2)17-20(22)23;/h5-6,9-12,17H,3-4,7-8,13-16H2,1-2H3,(H,25,26);1H"	CN(CCCCCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl.Cl	JCFOTJWSJNVBLG-UHFFFAOYSA-N
DG53649	"1,4-Bis(fluoromethanesulfonyloxy)-butane"	365755	"1,4-bis(fluoromethanesulfonyloxy)-butane; NSC633784; SCHEMBL575552; CHEMBL2005224; ZINC1623091; NSC-633784; NCI60_011228"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633784	.	.	.	.	282.3	C6H12F2O6S2	104	327	0.7	16	0	8	9	"InChI=1S/C6H12F2O6S2/c7-5-15(9,10)13-3-1-2-4-14-16(11,12)6-8/h1-6H2"	C(CCOS(=O)(=O)CF)COS(=O)(=O)CF	ISIGLRLLIAZYJG-UHFFFAOYSA-N
DG53650	"1-Methyl-2-oxo-4-prop-2-ynyloxy-1,2-dihydro-quinoline-3-carboxylic acid ethyl ester"	365758	"1-methyl-2-oxo-4-prop-2-ynyloxy-1,2-dihydro-quinoline-3-carboxylic acid ethyl ester; NSC633787; CHEMBL1979130; NSC-633787; NCI60_011231"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633787	.	.	.	.	285.29	C16H15NO4	55.8	514	1.7	21	0	4	5	"InChI=1S/C16H15NO4/c1-4-10-21-14-11-8-6-7-9-12(11)17(3)15(18)13(14)16(19)20-5-2/h1,6-9H,5,10H2,2-3H3"	CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)OCC#C	XDEZMBRUWBJTQN-UHFFFAOYSA-N
DG53651	NSC633907	365832	"4-[4-[2,6-dimethyl-3,5-bis(phenylcarbamoyl)-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide; NSC633907; SCHEMBL7820648; CHEMBL1970009; NSC-633907; NCI60_011243; 3,5-Pyridinedicarboxamide, 4,4'-(1,4-phenylene)bis[1,4-dihydro-2,6-dimethyl-N,N'-diphenyl-; 4-[4-[2,6-dimethyl-3,5-bis(phenylcarbamoyl)-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633907	.	.	.	.	768.9	C48H44N6O4	141	1430	7.1	58	6	6	10	"InChI=1S/C48H44N6O4/c1-29-39(45(55)51-35-17-9-5-10-18-35)43(40(30(2)49-29)46(56)52-36-19-11-6-12-20-36)33-25-27-34(28-26-33)44-41(47(57)53-37-21-13-7-14-22-37)31(3)50-32(4)42(44)48(58)54-38-23-15-8-16-24-38/h5-28,43-44,49-50H,1-4H3,(H,51,55)(H,52,56)(H,53,57)(H,54,58)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)C4C(=C(NC(=C4C(=O)NC5=CC=CC=C5)C)C)C(=O)NC6=CC=CC=C6)C(=O)NC7=CC=CC=C7	URUXXQCTJFCFMU-UHFFFAOYSA-N
DG53652	NSC633909	365834	"3,5-Pyridinedicarboxamide, 4-[4-[1,4-dihydro-3,5-bis[[(2-methylphenyl)amino]carbonyl]-4-pyridinyl]phenyl]-1,4-dihydro-2,6-dimethyl-N,N'-bis(2-methylphenyl)-; NSC633909; CHEMBL2002624; NSC-633909; NCI60_011245; 3,5-Pyridinedicarboxamide, 4-[4-[1,4-dihydro-3,5-bis[[(2-methylphenyl)amino]carbonyl]-4-pyridinyl]phenyl]-1,4-dihydro-2,6-dimethyl-N,N'-bis(2-methylphenyl)-; 4-[4-[3,5-bis(o-tolylcarbamoyl)-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-N3,N5-bis(o-tolyl)-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633909	.	.	.	.	797	C50H48N6O4	141	1610	7.8	60	6	6	10	"InChI=1S/C50H48N6O4/c1-29-15-7-11-19-39(29)53-47(57)37-27-51-28-38(48(58)54-40-20-12-8-16-30(40)2)45(37)35-23-25-36(26-24-35)46-43(49(59)55-41-21-13-9-17-31(41)3)33(5)52-34(6)44(46)50(60)56-42-22-14-10-18-32(42)4/h7-28,45-46,51-52H,1-6H3,(H,53,57)(H,54,58)(H,55,59)(H,56,60)"	CC1=CC=CC=C1NC(=O)C2=CNC=C(C2C3=CC=C(C=C3)C4C(=C(NC(=C4C(=O)NC5=CC=CC=C5C)C)C)C(=O)NC6=CC=CC=C6C)C(=O)NC7=CC=CC=C7C	WHAUSGHILKMKSL-UHFFFAOYSA-N
DG53653	"N3,N5-dibenzyl-2,6-dimethyl-4-(o-tolyl)-1,4-dihydropyridine-3,5-dicarboxamide"	365836	"NSC633911; CHEMBL2005803; ZINC31829955; NSC-633911; NCI60_011247; N~3~,N~5~-Dibenzyl-2,6-dimethyl-4-(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide; N3,N5-dibenzyl-2,6-dimethyl-4-(o-tolyl)-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633911	.	.	.	.	465.6	C30H31N3O2	70.2	762	4.8	35	3	3	7	"InChI=1S/C30H31N3O2/c1-20-12-10-11-17-25(20)28-26(29(34)31-18-23-13-6-4-7-14-23)21(2)33-22(3)27(28)30(35)32-19-24-15-8-5-9-16-24/h4-17,28,33H,18-19H2,1-3H3,(H,31,34)(H,32,35)"	CC1=CC=CC=C1C2C(=C(NC(=C2C(=O)NCC3=CC=CC=C3)C)C)C(=O)NCC4=CC=CC=C4	JKUTXIHRZGUNIP-UHFFFAOYSA-N
DG53654	NSC633912	365837	"4-[4-[2,6-dimethyl-3,5-bis(o-tolylcarbamoyl)-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-N3,N5-bis(o-tolyl)-1,4-dihydropyridine-3,5-dicarboxamide; NSC633912; CHEMBL1970521; NSC-633912; NCI60_011248; [4-(4-{3,5-Bis[N-(2-methylphenyl)carbamoyl]-2,6-dimethyl(4-1,4-dihydropyridyl)}phenyl)-2,6-dimethyl-5-[N-(2-methylphenyl)carbamoyl](3-1,4-dihydropyridyl)]-N-(2-methylphenyl)carboxamide; 4-[4-[2,6-dimethyl-3,5-bis(o-tolylcarbamoyl)-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-N3,N5-bis(o-tolyl)-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633912	.	.	.	.	825	C52H52N6O4	141	1570	8.6	62	6	6	10	"InChI=1S/C52H52N6O4/c1-29-17-9-13-21-39(29)55-49(59)43-33(5)53-34(6)44(50(60)56-40-22-14-10-18-30(40)2)47(43)37-25-27-38(28-26-37)48-45(51(61)57-41-23-15-11-19-31(41)3)35(7)54-36(8)46(48)52(62)58-42-24-16-12-20-32(42)4/h9-28,47-48,53-54H,1-8H3,(H,55,59)(H,56,60)(H,57,61)(H,58,62)"	CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)C4C(=C(NC(=C4C(=O)NC5=CC=CC=C5C)C)C)C(=O)NC6=CC=CC=C6C)C(=O)NC7=CC=CC=C7C)C)C	LUBHFUQJKFZRDL-UHFFFAOYSA-N
DG53655	"4,5-Dichloro-2-(2-(4-pyridinyl)ethyl)-3(2H)-pyridazinone"	365840	"NSC633915; 4,5-Dichloro-2-(2-(4-pyridinyl)ethyl)-3(2H)-pyridazinone; CHEMBL1986609; ZINC12943728; NSC-633915; NCI60_011251; 4,5-dichloro-2-[2-(4-pyridyl)ethyl]pyridazin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633915	.	.	.	.	270.11	C11H9Cl2N3O	45.6	362	2	17	0	3	3	"InChI=1S/C11H9Cl2N3O/c12-9-7-15-16(11(17)10(9)13)6-3-8-1-4-14-5-2-8/h1-2,4-5,7H,3,6H2"	C1=CN=CC=C1CCN2C(=O)C(=C(C=N2)Cl)Cl	LHUXZNNICKIKHQ-UHFFFAOYSA-N
DG53656	"4,5-Dichloro-2-(3-oxobutyl)-3(2H)-pyridazinone"	365844	"NSC633918; 4,5-Dichloro-2-(3-oxobutyl)-3(2H)-pyridazinone; 4,5-dichloro-2-(3-oxobutyl)pyridazin-3-one; SCHEMBL6405505; CHEMBL1969845; ZINC1623188; NSC-633918; NCI60_011254"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633918	.	.	.	.	235.06	C8H8Cl2N2O2	49.7	336	0.8	14	0	3	3	"InChI=1S/C8H8Cl2N2O2/c1-5(13)2-3-12-8(14)7(10)6(9)4-11-12/h4H,2-3H2,1H3"	CC(=O)CCN1C(=O)C(=C(C=N1)Cl)Cl	LLXUEGJIPKJKFS-UHFFFAOYSA-N
DG53657	NSC633919	365845	"4-[4-[3,5-bis[(2-methoxyphenyl)carbamoyl]-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-N3,N5-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide; NSC633919; CHEMBL1994297; ZINC150430725; NSC-633919; NCI60_011255; 3,5-Pyridinedicarboxamide, 4,4'-(1,4-phenylene)bis[1,4-dihydro-N,N'-bis(2-methoxyphenyl)-2,6-dimethyl-; 4-[4-[3,5-bis[(2-methoxyphenyl)carbamoyl]-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-N3,N5-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633919	.	.	.	.	889	C52H52N6O8	177	1650	7	66	6	10	14	"InChI=1S/C52H52N6O8/c1-29-43(49(59)55-35-17-9-13-21-39(35)63-5)47(44(30(2)53-29)50(60)56-36-18-10-14-22-40(36)64-6)33-25-27-34(28-26-33)48-45(51(61)57-37-19-11-15-23-41(37)65-7)31(3)54-32(4)46(48)52(62)58-38-20-12-16-24-42(38)66-8/h9-28,47-48,53-54H,1-8H3,(H,55,59)(H,56,60)(H,57,61)(H,58,62)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=C(C=C3)C4C(=C(NC(=C4C(=O)NC5=CC=CC=C5OC)C)C)C(=O)NC6=CC=CC=C6OC)C(=O)NC7=CC=CC=C7OC	JJZQKBVBBIPVKW-UHFFFAOYSA-N
DG53658	"ethyl 2-(2H-1,4-benzothiazin-3-yl)acetate"	365879	"ethyl 2-(2H-1,4-benzothiazin-3-yl)acetate; Ethyl 2H-1,4-benzothiazin-3-ylacetate; NSC633956; 885459-18-7; CHEMBL1982602; ZINC100405092; NSC-633956; NCI60_011292; EN300-06462; Ethyl 2-(2H-benzo[b][1,4]thiazin-3-yl)acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633956	.	.	.	.	235.3	C12H13NO2S	64	291	2.4	16	0	4	4	"InChI=1S/C12H13NO2S/c1-2-15-12(14)7-9-8-16-11-6-4-3-5-10(11)13-9/h3-6H,2,7-8H2,1H3"	CCOC(=O)CC1=NC2=CC=CC=C2SC1	IOUCNRJGEKPBCN-UHFFFAOYSA-N
DG53659	"3-[5-[N-(2-cyanoethyl)-3-methyl-anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxo-N-(p-tolyl)propanamide"	365894	"NSC633975; CHEMBL2004653; NSC-633975; NCI60_011304; 1-(p-Methylanilinomalonyl)-3-(N-.meta. toluidino-N-.beta.- cyanoethylamino)-5-phenyl pyrazoline; 1-(p-Methylanilinomalonyl)-3-(N-meta toluidino-N-.beta.- cyanoethylamino)-5-phenyl pyrazoline; 3-(3-((2-Cyanoethyl)-3-methylanilino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide; 3-[5-[N-(2-cyanoethyl)-3-methyl-anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-3-oxo-N-(p-tolyl)propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633975	.	.	.	.	479.6	C29H29N5O2	88.8	834	4.3	36	1	4	8	"InChI=1S/C29H29N5O2/c1-21-12-14-24(15-13-21)31-28(35)20-29(36)34-26(23-9-4-3-5-10-23)19-27(32-34)33(17-7-16-30)25-11-6-8-22(2)18-25/h3-6,8-15,18,26H,7,17,19-20H2,1-2H3,(H,31,35)"	CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N(CCC#N)C3=CC=CC(=C3)C)C4=CC=CC=C4	GJKZWIYHBBTBRY-UHFFFAOYSA-N
DG53660	"4-amino-3-iodo-1-(beta-D-ribofuranosyl)pyrrolo[2,3-d] pyridazin-7-one"	365913	"NSC634035; CHEMBL263477; NSC-634035; NCI60_011321; 4-amino-3-iodo-1-(.beta.-D-ribofuranosyl)pyrrolo[2,3-d] pyridazin-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634035	.	.	.	.	408.15	C11H13IN4O5	142	478	-1.8	21	5	6	2	"InChI=1S/C11H13IN4O5/c12-3-1-16(6-5(3)9(13)14-15-10(6)20)11-8(19)7(18)4(2-17)21-11/h1,4,7-8,11,17-19H,2H2,(H2,13,14)(H,15,20)"	C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)C(=O)NN=C2N)I	SFEJDVWRGQKIIY-UHFFFAOYSA-N
DG53661	"4-amino-3-bromo-1-(beta-D-ribofuranosyl)pyrrolo[2,3-d] pyridazin-7-one"	365914	"NSC634036; NSC-634036; NCI60_011322; 4-amino-3-bromo-1-(.beta.-D-ribofuranosyl)pyrrolo[2,3-d] pyridazin-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634036	.	.	.	.	361.15	C11H13BrN4O5	142	478	-1.7	21	5	6	2	"InChI=1S/C11H13BrN4O5/c12-3-1-16(6-5(3)9(13)14-15-10(6)20)11-8(19)7(18)4(2-17)21-11/h1,4,7-8,11,17-19H,2H2,(H2,13,14)(H,15,20)"	C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)C(=O)NN=C2N)Br	ATWFHNRKSLRLLA-UHFFFAOYSA-N
DG53662	"4-amino-3-bromo-1-(beta-D-ribofuranosyl)pyrrolo[2,3-d] pyridazine"	365915	"NSC634037; CHEMBL1974144; ZINC04627783; NSC-634037; NCI60_011323; 4-amino-3-bromo-1-(.beta.-D-ribofuranosyl)pyrrolo[2,3-d] pyridazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634037	.	.	.	.	345.15	C11H13BrN4O4	127	365	-1.3	20	4	7	2	"InChI=1S/C11H13BrN4O4/c12-4-2-16(5-1-14-15-10(13)7(4)5)11-9(19)8(18)6(3-17)20-11/h1-2,6,8-9,11,17-19H,3H2,(H2,13,15)"	C1=C2C(=C(N=N1)N)C(=CN2C3C(C(C(O3)CO)O)O)Br	AFOWYBXSFOGRKR-UHFFFAOYSA-N
DG53663	"3,3-Dimethyl-1,1-bis(4-(1,3-thiazol-4-yl)phenyl)-2-butanone"	366001	"NSC634174; 3,3-Dimethyl-1,1-bis(4-(1,3-thiazol-4-yl)phenyl)-2-butanone; CHEMBL1999084; NSC-634174; NCI60_011359; 3,3-dimethyl-1,1-bis(4-thiazol-4-ylphenyl)butan-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634174	.	.	.	.	418.6	C24H22N2OS2	99.3	512	6	29	0	5	6	"InChI=1S/C24H22N2OS2/c1-24(2,3)23(27)22(18-8-4-16(5-9-18)20-12-28-14-25-20)19-10-6-17(7-11-19)21-13-29-15-26-21/h4-15,22H,1-3H3"	CC(C)(C)C(=O)C(C1=CC=C(C=C1)C2=CSC=N2)C3=CC=C(C=C3)C4=CSC=N4	AKOWATAHHUCAEN-UHFFFAOYSA-N
DG53664	"1-(3-Ethynylphenyl)-2,5-pyrrolidinedione"	366009	"NSC634182; 1-(3-Ethynylphenyl)-2,5-pyrrolidinedione; 1-(3-ethynylphenyl)pyrrolidine-2,5-dione; 2, 1-(3-ethynylphenyl)-; CHEMBL2006965; ZINC100259; NSC-634182; NCI60_011367; 2,5-Pyrrolidinedione, 1-(3-ethynylphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634182	.	.	.	.	199.2	C12H9NO2	37.4	323	0.5	15	0	2	2	"InChI=1S/C12H9NO2/c1-2-9-4-3-5-10(8-9)13-11(14)6-7-12(13)15/h1,3-5,8H,6-7H2"	C#CC1=CC(=CC=C1)N2C(=O)CCC2=O	GDFBYFFSWFEBHI-UHFFFAOYSA-N
DG53665	2-(4-Chlorophenyl)-2-[6-[(4-chlorophenyl)-cyano-methyl]-2-pyridyl]acetonitrile	366011	"NSC634184; CHEMBL2004166; NSC-634184; NCI60_011369; 2,6-Pyridinediacetonitrile, .alpha.,.alpha.'-bis(4-chlorophenyl)-; 2-(4-chlorophenyl)-2-[6-[(4-chlorophenyl)-cyano-methyl]-2-pyridyl]acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634184	.	.	.	.	378.2	C21H13Cl2N3	60.5	498	4.9	26	0	3	4	"InChI=1S/C21H13Cl2N3/c22-16-8-4-14(5-9-16)18(12-24)20-2-1-3-21(26-20)19(13-25)15-6-10-17(23)11-7-15/h1-11,18-19H"	C1=CC(=NC(=C1)C(C#N)C2=CC=C(C=C2)Cl)C(C#N)C3=CC=C(C=C3)Cl	HDHWCVHVEDSRTI-UHFFFAOYSA-N
DG53666	1-(2-Benzyl-4-oxo-3-phenyl-2-oxetanyl)-2-pyrrolidinone	366013	NSC634186; 1-(2-Benzyl-4-oxo-3-phenyl-2-oxetanyl)-2-pyrrolidinone; CHEMBL1984784; NSC-634186; NCI60_011371; 1-(2-benzyl-4-oxo-3-phenyl-oxetan-2-yl)pyrrolidin-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634186	.	.	.	.	321.4	C20H19NO3	46.6	493	3	24	0	3	4	"InChI=1S/C20H19NO3/c22-17-12-7-13-21(17)20(14-15-8-3-1-4-9-15)18(19(23)24-20)16-10-5-2-6-11-16/h1-6,8-11,18H,7,12-14H2"	C1CC(=O)N(C1)C2(C(C(=O)O2)C3=CC=CC=C3)CC4=CC=CC=C4	DNJDYUUIZCUUIV-UHFFFAOYSA-N
DG53667	"1-Indenone, 3-hydroxy-2-(2-quinoxalinyl)-"	366050	"NSC634224; 1-Indenone, 3-hydroxy-2-(2-quinoxalinyl)-; NCIMech_000246; CHEMBL1970662; SCHEMBL23327149; ZINC5647199; CCG-35277; NSC-634224; NCI60_011387; 3-hydroxy-2-quinoxalin-2-yl-inden-1-one; 3-Hydroxy-2-(2-quinoxalinyl)-1H-inden-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634224	.	.	.	.	274.27	C17H10N2O2	63.1	473	2.3	21	1	4	1	"InChI=1S/C17H10N2O2/c20-16-10-5-1-2-6-11(10)17(21)15(16)14-9-18-12-7-3-4-8-13(12)19-14/h1-9,20H"	C1=CC=C2C(=C1)C(=C(C2=O)C3=NC4=CC=CC=C4N=C3)O	WUFMPLCXHNQVRG-UHFFFAOYSA-N
DG53668	"N-(3-Chloro-2-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	366109	"N-(3-Chloro-2-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide; NSC634396; NSC637599; MLS000756767; 683807-34-3; 2H-1, 2-[2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl]-; NSC-634396; SCHEMBL1463263; CHEMBL1525024; HMS2886P09; STK217602; STK589987; AKOS002264350; AKOS005513723; AKOS016193665; N-(3-chloro-2-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide; MCULE-3768916487; NSC-637599; NCI60_011420; NCI60_012461; SMR000529057; VU0507540-1; F3019-0004; N-(3-chloro-2-methyl-phenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide; 2H-1,4-Benzothiazin-3(4H)-one, 2-[2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl]-; N-(3-chloro-2-methylphenyl)-2-(3-hydroxy-2H-1,4-benzothiazin-2-yl)acetamide; N-(3-chloro-2-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634396	.	.	.	.	346.8	C17H15ClN2O2S	83.5	462	3.2	23	2	3	3	"InChI=1S/C17H15ClN2O2S/c1-10-11(18)5-4-7-12(10)19-16(21)9-15-17(22)20-13-6-2-3-8-14(13)23-15/h2-8,15H,9H2,1H3,(H,19,21)(H,20,22)"	CC1=C(C=CC=C1Cl)NC(=O)CC2C(=O)NC3=CC=CC=C3S2	INZRHQMESLKTEV-UHFFFAOYSA-N
DG53669	"N-(2,5-Dimethylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	366111	"NSC634398; MLS002701659; MLS002702805; 908803-69-0; NSC637603; N-(2,5-Dimethylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide; N-(2,5-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide; SMR001565259; CHEMBL1718861; STK988527; AKOS002281572; AKOS016193647; MCULE-8318409067; NSC-634398; NSC-637603; NCI60_011422; NCI60_012465; F3325-0168; 2H-1, 3,4-dihydro-2-[2-[(2,5-dimethylphenyl)amino]-2-oxoethyl]-; Acetamide,4-dihydro-3-oxo-2H-1,4-benzothiazin-2-yl)- N-(2,5-dimethylphenyl)-; N-(2,5-dimethylphenyl)-2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637603	.	.	.	.	326.4	C18H18N2O2S	83.5	456	3	23	2	3	3	"InChI=1S/C18H18N2O2S/c1-11-7-8-12(2)14(9-11)19-17(21)10-16-18(22)20-13-5-3-4-6-15(13)23-16/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22)"	CC1=CC(=C(C=C1)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2	NHJMZJXUSPDTJB-UHFFFAOYSA-N
DG53670	"N-(2,4-Dimethylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	366112	"NSC634399; CHEMBL1989935; NSC-634399; N-(2,4-Dimethylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide; NCI60_011423; N-(2,4-dimethylphenyl)-2-(1,3-dioxo-4H-1$l^{4},4-benzothiazin-2-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634399	.	.	.	.	342.4	C18H18N2O3S	94.5	524	1.7	24	2	4	3	"InChI=1S/C18H18N2O3S/c1-11-7-8-13(12(2)9-11)19-17(21)10-16-18(22)20-14-5-3-4-6-15(14)24(16)23/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22)"	CC1=CC(=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O)C	BUNHENLRGZALHQ-UHFFFAOYSA-N
DG53671	"N-(2,4-Dimethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	366118	"NSC634405; CHEMBL2004378; NSC-634405; N-(2,4-Dimethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide; NCI60_011429; N-(2,4-dimethylphenyl)-2-(1,1,3-trioxo-4H-1$l^{6},4-benzothiazin-2-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634405	.	.	.	.	358.4	C18H18N2O4S	101	628	1.7	25	2	4	3	"InChI=1S/C18H18N2O4S/c1-11-7-8-13(12(2)9-11)19-17(21)10-16-18(22)20-14-5-3-4-6-15(14)25(16,23)24/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22)"	CC1=CC(=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O)C	BQBDQDNQNFHEFK-UHFFFAOYSA-N
DG53672	"N-(4-Chlorophenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	366127	"NSC634414; CHEMBL1973148; NSC-634414; N-(4-Chlorophenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide; NCI60_011438; N-(4-chlorophenyl)-2-(1,1,3-trioxo-4H-1$l^{6},4-benzothiazin-2-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634414	.	.	.	.	364.8	C16H13ClN2O4S	101	596	1.6	24	2	4	3	"InChI=1S/C16H13ClN2O4S/c17-10-5-7-11(8-6-10)18-15(20)9-14-16(21)19-12-3-1-2-4-13(12)24(14,22)23/h1-8,14H,9H2,(H,18,20)(H,19,21)"	C1=CC=C2C(=C1)NC(=O)C(S2(=O)=O)CC(=O)NC3=CC=C(C=C3)Cl	YNFSQLXDCFRFKJ-UHFFFAOYSA-N
DG53673	"2-(1,1-Dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(2-isopropyl-6-methylphenyl)acetamide"	366128	"NSC634415; CHEMBL1993208; NSC-634415; 2-(1,1-Dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(2-isopropyl-6-methylphenyl)acetamide; NCI60_011439; N-(2-isopropyl-6-methyl-phenyl)-2-(1,1,3-trioxo-4H-1$l^{6},4-benzothiazin-2-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634415	.	.	.	.	386.5	C20H22N2O4S	101	670	2.5	27	2	4	4	"InChI=1S/C20H22N2O4S/c1-12(2)14-8-6-7-13(3)19(14)22-18(23)11-17-20(24)21-15-9-4-5-10-16(15)27(17,25)26/h4-10,12,17H,11H2,1-3H3,(H,21,24)(H,22,23)"	CC1=C(C(=CC=C1)C(C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O	WSAOLIOILJZLJC-UHFFFAOYSA-N
DG53674	Myristohydroxamic acid	366134	Myristoyl hydroxamate; Myristohydroxamic acid; N-oxidanyltetradecanamide; NSC634458; MLS002702918; N-Hydroxytetradecanamide; tetradecanehydroxamic acid; N-Hydroxytetradecanamide #; SCHEMBL5575814; CHEMBL1894226; ZINC72141055; NSC-634458; NCI60_011445; SMR001566733; 17698-03-2; G9O	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634458	.	.	.	.	243.39	C14H29NO2	49.3	172	4.5	17	2	2	12	"InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15-17/h17H,2-13H2,1H3,(H,15,16)"	CCCCCCCCCCCCCC(=O)NO	XHKBEIYZVFBVAM-UHFFFAOYSA-N
DG53675	"Ethyl 3-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)propanoate"	366144	"NSC634471; Ethyl 3-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)propanoate; NCIMech_000253; CHEMBL1987481; ZINC1623990; CCG-35253; NSC-634471; NCI60_011454; ethyl 3-(4,5-dichloro-6-oxo-pyridazin-1-yl)propanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634471	.	.	.	.	265.09	C9H10Cl2N2O3	59	366	1.3	16	0	4	5	"InChI=1S/C9H10Cl2N2O3/c1-2-16-7(14)3-4-13-9(15)8(11)6(10)5-12-13/h5H,2-4H2,1H3"	CCOC(=O)CCN1C(=O)C(=C(C=N1)Cl)Cl	GIWZNWWYUPSNOQ-UHFFFAOYSA-N
DG53676	"Methyl 6-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-2,4-dioxohexanoate"	366145	"NSC634472; Methyl 6-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-2,4-dioxohexanoate; CHEMBL1989401; ZINC5502763; NSC-634472; NCI60_011455; methyl 6-(4,5-dichloro-6-oxo-pyridazin-1-yl)-2,4-dioxo-hexanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634472	.	.	.	.	321.11	C11H10Cl2N2O5	93.1	527	0.7	20	0	6	7	"InChI=1S/C11H10Cl2N2O5/c1-20-11(19)8(17)4-6(16)2-3-15-10(18)9(13)7(12)5-14-15/h5H,2-4H2,1H3"	COC(=O)C(=O)CC(=O)CCN1C(=O)C(=C(C=N1)Cl)Cl	RPYPTKBZFYTABK-UHFFFAOYSA-N
DG53677	"4-(3,4-Dichlorophenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide"	366165	"NSC634492; CHEMBL1972306; ZINC31829991; NSC-634492; NCI60_011475; 4-(3,4-dichlorophenyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide; 4-(3,4-Dichlorophenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634492	.	.	.	.	492.4	C27H23Cl2N3O2	70.2	774	5.8	34	3	3	5	"InChI=1S/C27H23Cl2N3O2/c1-16-23(26(33)31-19-9-5-3-6-10-19)25(18-13-14-21(28)22(29)15-18)24(17(2)30-16)27(34)32-20-11-7-4-8-12-20/h3-15,25,30H,1-2H3,(H,31,33)(H,32,34)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)NC4=CC=CC=C4	ITXYXQFUYZYHKQ-UHFFFAOYSA-N
DG53678	"2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-(2,6-dimethylphenyl)acetamide"	366175	"NSC634502; CHEMBL1982268; NSC-634502; 2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-(2,6-dimethylphenyl)acetamide; NCI60_011485; 2-(3-chloro-1,4-dioxo-2-naphthyl)-2-cyano-N-(2,6-dimethylphenyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634502	.	.	.	.	378.8	C21H15ClN2O3	87	725	4.3	27	1	4	3	"InChI=1S/C21H15ClN2O3/c1-11-6-5-7-12(2)18(11)24-21(27)15(10-23)16-17(22)20(26)14-9-4-3-8-13(14)19(16)25/h3-9,15H,1-2H3,(H,24,27)"	CC1=C(C(=CC=C1)C)NC(=O)C(C#N)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl	GMGMKZMQQOCXPX-UHFFFAOYSA-N
DG53679	"2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-(2,6-diethylphenyl)acetamide"	366176	"NSC634503; CHEMBL1969627; NSC-634503; 2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-(2,6-diethylphenyl)acetamide; NCI60_011486; 2-(3-chloro-1,4-dioxo-2-naphthyl)-2-cyano-N-(2,6-diethylphenyl)acetamide; Acetamide,4-dihydro- 1,4-dioxonaphthalen-3-yl)-.alpha.-cyano- N-(2,6-diethylphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634503	.	.	.	.	406.9	C23H19ClN2O3	87	753	5.2	29	1	4	5	"InChI=1S/C23H19ClN2O3/c1-3-13-8-7-9-14(4-2)20(13)26-23(29)17(12-25)18-19(24)22(28)16-11-6-5-10-15(16)21(18)27/h5-11,17H,3-4H2,1-2H3,(H,26,29)"	CCC1=C(C(=CC=C1)CC)NC(=O)C(C#N)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl	CEPOONXTYNXFSS-UHFFFAOYSA-N
DG53680	"1-(3-Bromo-4-methoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinoline"	366188	"NSC634515; CHEMBL1979394; ZINC5722009; 1-(3-Bromo-4-methoxybenzyl)-3,4-dihydro-6,7- dimethoxyisoquinoline; 1-(3-Bromo-4-methoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinoline; NSC-634515; NCI60_011498; 1-(3-Bromo-4-methoxybenzyl)-3,7- dimethoxyisoquinoline; 1-[(3-bromo-4-methoxy-phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634515	.	.	.	.	390.3	C19H20BrNO3	40	444	3.8	24	0	4	5	"InChI=1S/C19H20BrNO3/c1-22-17-5-4-12(8-15(17)20)9-16-14-11-19(24-3)18(23-2)10-13(14)6-7-21-16/h4-5,8,10-11H,6-7,9H2,1-3H3"	COC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C=C32)OC)OC)Br	FNHNRCUJHUNZIF-UHFFFAOYSA-N
DG53681	"Naphtho[2',3'-4,5]thiazole[2,3-g]purine-2,4,7,12-tetrone, 1,3-dimethyl-"	366232	"NSC634568; NCIMech_000384; CHEMBL2006333; ZINC1624060; CCG-35736; Naphtho[2',3'-4,5]thiazole[2,3-g]purine-2,4,7,12-tetrone, 1,3-dimethyl-; NSC-634568; NCI60_011508; Naphtho[2',5]thiazole[2,3-g]purine-2,4,7,12-tetrone, 1,3-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634568	.	.	.	.	366.4	C17H10N4O4S	120	730	3	26	0	6	0	"InChI=1S/C17H10N4O4S/c1-19-14-9(15(24)20(2)17(19)25)18-16-21(14)10-11(22)7-5-3-4-6-8(7)12(23)13(10)26-16/h3-6H,1-2H3"	CN1C2=C(C(=O)N(C1=O)C)N=C3N2C4=C(S3)C(=O)C5=CC=CC=C5C4=O	UKEMTDWFWSMKLU-UHFFFAOYSA-N
DG53682	2-(2-Mercaptoanilino)benzonitrile	366234	NSC634570; 2-(2-Mercaptoanilino)benzonitrile; 2-(2-sulfanylanilino)benzonitrile; CHEMBL1970993; NSC-634570; NCI60_011510	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634570	.	.	.	.	226.3	C13H10N2S	36.8	270	3.9	16	2	3	2	"InChI=1S/C13H10N2S/c14-9-10-5-1-2-6-11(10)15-12-7-3-4-8-13(12)16/h1-8,15-16H"	C1=CC=C(C(=C1)C#N)NC2=CC=CC=C2S	DANJNCZFHIQPFN-UHFFFAOYSA-N
DG53683	Tris(tropolonato)lanthane(III)	366257	NSC634605; Tris(tropolonato)lanthane(III); NSC-634605; NCI60_011523	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634605	.	.	.	.	502.2	C21H15LaO6	120	686	.	28	0	6	0	"InChI=1S/3C7H6O2.La/c3*8-6-4-2-1-3-5-7(6)9;/h3*1-5H,(H,8,9);/q;;;+3/p-3"	C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].[La+3]	FOJJQSCAROIDAH-UHFFFAOYSA-K
DG53684	Tris(tropolonato)europium(III)	366259	NSC634607; Tris(tropolonato)europium(III); NSC-634607; NCI60_011525	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634607	.	.	.	.	515.299	C21H15EuO6	120	686	.	28	0	6	0	"InChI=1S/3C7H6O2.Eu/c3*8-6-4-2-1-3-5-7(6)9;/h3*1-5H,(H,8,9);/q;;;+3/p-3"	C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].[Eu+3]	WQHWOXKKEDWRHR-UHFFFAOYSA-K
DG53685	Tris(tropolonato)dysprosium(III)	366260	NSC634608; Tris(tropolonato)dysprosium(III); NSC-634608; NCI60_011526	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634608	.	.	.	.	525.8	C21H15DyO6	120	686	.	28	0	6	0	"InChI=1S/3C7H6O2.Dy/c3*8-6-4-2-1-3-5-7(6)9;/h3*1-5H,(H,8,9);/q;;;+3/p-3"	C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].[Dy+3]	STKVNGGITUKWHE-UHFFFAOYSA-K
DG53686	Tris(tropolonato)cerium(III)	366261	NSC634609; Tris(tropolonato)cerium(III); NSC-634609; NCI60_011527	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634609	.	.	.	.	503.5	C21H15CeO6	120	686	.	28	0	6	0	"InChI=1S/3C7H6O2.Ce/c3*8-6-4-2-1-3-5-7(6)9;/h3*1-5H,(H,8,9);/q;;;+3/p-3"	C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].[Ce+3]	UEXHJEIQHFUDGH-UHFFFAOYSA-K
DG53687	Tris(tropolonato)samarium(III)	366262	NSC634610; Tris(tropolonato)samarium(III); NSC-634610; NCI60_011528	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634610	.	.	.	.	513.7	C21H15O6Sm	120	686	.	28	0	6	0	"InChI=1S/3C7H6O2.Sm/c3*8-6-4-2-1-3-5-7(6)9;/h3*1-5H,(H,8,9);/q;;;+3/p-3"	C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].[Sm+3]	YEVPHOPTLGNISK-UHFFFAOYSA-K
DG53688	"2-(2-(Trifluoromethyl)phenyl)-9,9a-dihydropyrrolo[3,4-b][1,4]benzothiazine-1,3(2H,3aH)-dione"	366290	"NSC634641; 2-(2-(Trifluoromethyl)phenyl)-9,9a-dihydropyrrolo[3,4-b][1,4]benzothiazine-1,3(2H,3aH)-dione; CHEMBL1981126; NSC-634641; 2-[2-(trifluoromethyl)phenyl]-9,9a-dihydro-3aH-pyrrolo[3,4-b][1,4]benzothiazine-1,3-dione; NCI60_011547"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634641	.	.	.	.	364.3	C17H11F3N2O2S	74.7	571	3.8	25	1	7	1	"InChI=1S/C17H11F3N2O2S/c18-17(19,20)9-5-1-3-7-11(9)22-15(23)13-14(16(22)24)25-12-8-4-2-6-10(12)21-13/h1-8,13-14,21H"	C1=CC=C(C(=C1)C(F)(F)F)N2C(=O)C3C(C2=O)SC4=CC=CC=C4N3	YBQRTYUDGSJFHG-UHFFFAOYSA-N
DG53689	"2-(4,5-Dichloro-6-oxo-pyridazin-1-yl)-2-oxo-acetamide"	366292	"NSC634643; CHEMBL1984054; ZINC1624100; NSC-634643; NCI60_011549; 2-(4,5-dichloro-6-oxo-pyridazin-1-yl)-2-oxo-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634643	.	.	.	.	236.01	C6H3Cl2N3O3	92.8	388	0.2	14	1	4	0	"InChI=1S/C6H3Cl2N3O3/c7-2-1-10-11(5(13)3(2)8)6(14)4(9)12/h1H,(H2,9,12)"	C1=NN(C(=O)C(=C1Cl)Cl)C(=O)C(=O)N	NLFSLTLFNXKRMQ-UHFFFAOYSA-N
DG53690	"Methyl 4-(2-sec-butyl-6-ethylanilino)-2-(2-(3,4-dichloroanilino)-2-oxoethyl)-3,4-dioxobutanoate"	366310	"NSC634660; CHEMBL1993030; NSC-634660; Methyl 4-(2-sec-butyl-6-ethylanilino)-2-(2-(3,4-dichloroanilino)-2-oxoethyl)-3,4-dioxobutanoate; NCI60_011566; methyl 2-[2-(3,4-dichloroanilino)-2-oxo-ethyl]-4-(2-ethyl-6-sec-butyl-anilino)-3,4-dioxo-butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634660	.	.	.	.	507.4	C25H28Cl2N2O5	102	734	5.6	34	2	5	11	"InChI=1S/C25H28Cl2N2O5/c1-5-14(3)17-9-7-8-15(6-2)22(17)29-24(32)23(31)18(25(33)34-4)13-21(30)28-16-10-11-19(26)20(27)12-16/h7-12,14,18H,5-6,13H2,1-4H3,(H,28,30)(H,29,32)"	CCC1=C(C(=CC=C1)C(C)CC)NC(=O)C(=O)C(CC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)OC	UBQZHEJNYHWBDO-UHFFFAOYSA-N
DG53691	"N,9-nonanedicarboxamide dihydrochloride hydrate"	366335	"NSC634698; CHEMBL1980062; NSC-634698; N,9-nonanedicarboxamide dihydrochloride hydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634698	.	.	.	.	879.4	C41H59ClN14O6	294	1440	.	62	11	8	24	"InChI=1S/C41H58N14O6.ClH/c1-52-24-28(20-30(52)38(58)46-16-14-34(42)43)50-40(60)32-18-26(22-54(32)3)48-36(56)12-10-8-6-5-7-9-11-13-37(57)49-27-19-33(55(4)23-27)41(61)51-29-21-31(53(2)25-29)39(59)47-17-15-35(44)45;/h18-25H,5-17H2,1-4H3,(H3,42,43)(H3,44,45)(H,46,58)(H,47,59)(H,48,56)(H,49,57)(H,50,60)(H,51,61);1H"	CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CCCCCCCCCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl	YTQDEPWBCMNGBQ-UHFFFAOYSA-N
DG53692	"10,11-Methylenedioxy-20(RS)-camptothecin"	366358	"10,11-Methylenedioxy-20(RS)-camptothecin; CHEMBL52057; 94898-61-0; NSC606174; 151636-76-9; 5-ethyl-5-hydroxy-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(13),2,4(9),14,16,21,23-heptaene-6,10-dione; Glycoside O-4; Glycoside-O-4; 7-Ethyl-7-hydroxy-10H-[1,3]dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11(7H,13H)-dione; SCHEMBL9563404; EX-A525; BCP12571; BDBM50045377; NSC-606174; DA-44156; NCI60_004656; FT-0700213; FL-118;FL 118;(R)-FL-118; (20R)-7-ethyl-7-hydroxy-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[5,4-g]pyrano[3'',4'':6,7]indolizino[1,2-b]quinoline-8,11-dione; (20RS)-7-ethyl-7-hydroxy-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[5,4-g]pyrano[3'',4'':6,7]indolizino[1,2-b]quinoline-8,11-dione; (20S)-7-ethyl-7-hydroxy-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[5,4-g]pyrano[3'',4'':6,7]indolizino[1,2-b]quinoline-8,11-dione; {10H,12H-1,3-Dioxolo[4,} {5-g]pyrano[3',4':6,7]indolizino} {[1,2-b]quinoline-8,11(7H,} 10H)-dione, 7-ethyl-7-hydroxy-, (+-); 10H,3-Dioxolo[4,5-g]pyrano[3',4':6,7]indolizino [1,2-b]quinoline-8,11(7H,10H)-dione, 7-ethyl-7-hydroxy-, (+-); 20(RS)-7-ethyl-7-hydroxy-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[5,4-g]pyrano[3'',4'':6,7]indolizino[1,2-b]quinoline-8,11-dione; 4-Hydroxy-4-ethyl-8,9-methylenedioxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; 7-ethyl-7-hydroxy-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[5,4-g]pyrano[3'',4'':6,7]indolizino[1,2-b]quinoline-8,11-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606174	.	.	.	.	392.4	C21H16N2O6	98.2	852	0.8	29	1	7	1	"InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C6C(=CC5=C4)OCO6)O	RPFYDENHBPRCTN-UHFFFAOYSA-N
DG53693	"(+-)-endo-7-Ethyl-5-methyl-3-(phenylsulfonyl)-6,8-dioxa-bicyclo[3.2.1]octan"	366363	"NSC634739; CHEMBL1978086; NSC-634739; NCI60_011594; (+-)-endo-7-Ethyl-5-methyl-3-(phenylsulfonyl)-6,8-dioxa-bicyclo[3.2.1]octan"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634739	.	.	.	.	296.4	C15H20O4S	61	449	2.6	20	0	4	3	"InChI=1S/C15H20O4S/c1-3-13-14-9-12(10-15(2,18-13)19-14)20(16,17)11-7-5-4-6-8-11/h4-8,12-14H,3,9-10H2,1-2H3/t12 ,13-,14 ,15 /m0/s1"	CC[C@H]1C2CC(CC(O1)(O2)C)S(=O)(=O)C3=CC=CC=C3	KYUURSSCXNRXMX-IBLUKRHDSA-N
DG53694	"(+-)-endo-7-Ethyl-3-(2-hydroxyphaenylsulfonyl)-5-methyl-6,8-dioxabicyclo[3.2.1]octan"	366364	"NSC634740; CHEMBL1998439; NSC-634740; NCI60_011595; (+-)-endo-7-Ethyl-3-(2-hydroxyphaenylsulfonyl)-5-methyl-6,8-dioxabicyclo[3.2.1]octan"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634740	.	.	.	.	312.4	C15H20O5S	81.2	485	2.8	21	1	5	3	"InChI=1S/C15H20O5S/c1-3-12-13-8-10(9-15(2,19-12)20-13)21(17,18)14-7-5-4-6-11(14)16/h4-7,10,12-13,16H,3,8-9H2,1-2H3/t10 ,12-,13 ,15 /m0/s1"	CC[C@H]1C2CC(CC(O1)(O2)C)S(=O)(=O)C3=CC=CC=C3O	XLGHHQXPPCKHOR-CSAFNITMSA-N
DG53695	"2-(2-(6-Oxo-3,5-diphenyl-1(6H)-pyridazinyl)ethyl)-1H-isoindole-1,3(2H)-dione"	366366	"NSC634742; 2-(2-(6-Oxo-3,5-diphenyl-1(6H)-pyridazinyl)ethyl)-1H-isoindole-1,3(2H)-dione; CHEMBL1982635; ZINC1624158; NSC-634742; NCI60_011597; 2-[2-(6-oxo-3,5-diphenyl-pyridazin-1-yl)ethyl]isoindoline-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634742	.	.	.	.	421.4	C26H19N3O3	70	796	3.8	32	0	4	5	"InChI=1S/C26H19N3O3/c30-24-20-13-7-8-14-21(20)25(31)28(24)15-16-29-26(32)22(18-9-3-1-4-10-18)17-23(27-29)19-11-5-2-6-12-19/h1-14,17H,15-16H2"	C1=CC=C(C=C1)C2=CC(=NN(C2=O)CCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5	OTBNZESEXVQGIJ-UHFFFAOYSA-N
DG53696	Benzyl 6-(benzyloxycarbonylamino)-2-(prop-2-ynylcarbamoylamino)hexanoate	366401	CHEMBL1991300; NCI60_011611; 3-[2-(N^6-Benzyloxycarbonyl-L-lysine benzyl ester)]-1-(2-propynyl)urea; benzyl 6-(benzyloxycarbonylamino)-2-(prop-2-ynylcarbamoylamino)hexanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634764	.	.	.	.	451.5	C25H29N3O5	106	648	3.2	33	3	5	14	"InChI=1S/C25H29N3O5/c1-2-16-26-24(30)28-22(23(29)32-18-20-11-5-3-6-12-20)15-9-10-17-27-25(31)33-19-21-13-7-4-8-14-21/h1,3-8,11-14,22H,9-10,15-19H2,(H,27,31)(H2,26,28,30)"	C#CCNC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2	ZOXQWHOONSZTHA-UHFFFAOYSA-N
DG53697	"1-(((1-Allyl-2-oxohydrazino)carbonyl)oxy)-2,5-pyrrolidinedione"	366404	"NSC634773; 1-(((1-Allyl-2-oxohydrazino)carbonyl)oxy)-2,5-pyrrolidinedione; CHEMBL1988529; NSC-634773; NCI60_011614; (2,5-dioxopyrrolidin-1-yl) N-allyl-N-nitroso-carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634773	.	.	.	.	227.17	C8H9N3O5	96.4	338	-0.4	16	0	6	4	"InChI=1S/C8H9N3O5/c1-2-5-10(9-15)8(14)16-11-6(12)3-4-7(11)13/h2H,1,3-5H2"	C=CCN(C(=O)ON1C(=O)CCC1=O)N=O	NYLVMGGFKIVAOB-UHFFFAOYSA-N
DG53698	3-Methylidene-5-[2-methyl-4-(4-methylidene-5-oxooxolan-2-yl)-3-oxobutyl]oxolan-2-one	366410	NSC634779; CHEMBL1987495; NSC-634779; NCI60_011620	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634779	.	.	.	.	278.3	C15H18O5	69.7	491	1.9	20	0	5	5	"InChI=1S/C15H18O5/c1-8(4-11-5-9(2)14(17)19-11)13(16)7-12-6-10(3)15(18)20-12/h8,11-12H,2-7H2,1H3"	CC(CC1CC(=C)C(=O)O1)C(=O)CC2CC(=C)C(=O)O2	UXCJVXKXMQTIFR-UHFFFAOYSA-N
DG53699	"2,2,3,3,5,7,9,9-Octamethyl-6-thioxo-1-thia-5,7-diazaspiro[3.5]nonan-8-one"	366460	"NSC634867; 2,2,3,3,5,7,9,9-Octamethyl-6-thioxo-1-thia-5,7-diazaspiro[3.5]nonan-8-one; CHEMBL1992838; NSC-634867; NCI60_011642; 1,1,2,2,5,5,7,9-octamethyl-8-thioxo-3-thia-7,9-diazaspiro[3.5]nonan-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634867	.	.	.	.	300.5	C14H24N2OS2	80.9	470	3	19	0	3	0	"InChI=1S/C14H24N2OS2/c1-11(2)9(17)15(7)10(18)16(8)14(11)12(3,4)13(5,6)19-14/h1-8H3"	CC1(C(=O)N(C(=S)N(C12C(C(S2)(C)C)(C)C)C)C)C	LKPYZJWBTVTLCQ-UHFFFAOYSA-N
DG53700	"2,4-Di(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide"	366466	"NSC634926; 2,4-Di(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide; CHEMBL1968828; NSC-634926; NCI60_011646; 2,4-bis(1-naphthyl)-2,3-dihydro-1$l^{4},5-benzothiazepine 1-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634926	.	.	.	.	431.5	C29H21NOS	48.6	718	6.3	32	0	3	2	"InChI=1S/C29H21NOS/c31-32-28-18-6-5-17-26(28)30-27(24-15-7-11-20-9-1-3-13-22(20)24)19-29(32)25-16-8-12-21-10-2-4-14-23(21)25/h1-18,29H,19H2"	C1C(S(=O)C2=CC=CC=C2N=C1C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65	XEQHCUIOXUKJOJ-UHFFFAOYSA-N
DG53701	"4-Ethyl-2,6-dimethyl-N,5-bis(2-methylphenyl)-1,4-dihydro-3-pyridinecarboxamide"	366470	"NSC634929; CHEMBL1994657; NSC-634929; 4-Ethyl-2,6-dimethyl-N,5-bis(2-methylphenyl)-1,4-dihydro-3-pyridinecarboxamide; NCI60_011649; 4-ethyl-2,6-dimethyl-N,5-bis(o-tolyl)-1,4-dihydropyridine-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634929	.	.	.	.	360.5	C24H28N2O	41.1	618	5.3	27	2	2	4	"InChI=1S/C24H28N2O/c1-6-19-22(20-13-9-7-11-15(20)2)17(4)25-18(5)23(19)24(27)26-21-14-10-8-12-16(21)3/h7-14,19,25H,6H2,1-5H3,(H,26,27)"	CCC1C(=C(NC(=C1C(=O)NC2=CC=CC=C2C)C)C)C3=CC=CC=C3C	UDMSAUKWVVBPKY-UHFFFAOYSA-N
DG53702	"4-(4-(Acetylamino)phenyl)-2,6-dimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide"	366472	"NSC634931; CHEMBL1998703; ZINC623219; NSC-634931; NCI60_011651; 4-(4-(Acetylamino)phenyl)-2,6-dimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide; 4-(4-acetamidophenyl)-2,6-dimethyl-N3,N5-bis(o-tolyl)-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634931	.	.	.	.	508.6	C31H32N4O3	99.3	904	4.4	38	4	4	6	"InChI=1S/C31H32N4O3/c1-18-10-6-8-12-25(18)34-30(37)27-20(3)32-21(4)28(31(38)35-26-13-9-7-11-19(26)2)29(27)23-14-16-24(17-15-23)33-22(5)36/h6-17,29,32H,1-5H3,(H,33,36)(H,34,37)(H,35,38)"	CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)NC(=O)C)C(=O)NC4=CC=CC=C4C)C)C	PMQPNRGZUORQTH-UHFFFAOYSA-N
DG53703	"N,N'-Di{1-methyl-2-[1-methyl-2-carboxamido(3-propionamidine)-4-pyrrole]-4-pyrrolyl}sebacamide dihydrochloride"	366499	"CHEMBL1990368; NSC-635076; N,N'-Di{1-methyl-2-[1-methyl-2-carboxamido(3-propionamidine) -4-pyrrole]-4-pyrrolyl}sebacamide dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635076	.	.	.	.	867.4	C40H59ClN14O6	296	1490	.	61	11	9	23	"InChI=1S/C40H58N14O6.ClH/c1-51-23-27(19-29(51)37(57)45-15-13-33(41)42)49-39(59)31-17-25(21-53(31)3)47-35(55)11-9-7-5-6-8-10-12-36(56)48-26-18-32(54(4)22-26)40(60)50-28-20-30(52(2)24-28)38(58)46-16-14-34(43)44;/h17-24,33H,5-16,41-42H2,1-4H3,(H3,43,44)(H,45,57)(H,46,58)(H,47,55)(H,48,56)(H,49,59)(H,50,60);1H"	CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(N)N)C)NC(=O)CCCCCCCCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl	XKTHFKFKDMNGEL-UHFFFAOYSA-N
DG53704	"4-Vinyl-2,3-dihydro-1,2,3-thiadiazole"	366511	"NSC635120; 4-Vinyl-2,3-dihydro-1,2,3-thiadiazole; 4-vinyl-2,3-dihydrothiadiazole; CHEMBL1995140; ZINC1624249; NSC-635120; NCI60_011666"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635120	.	.	.	.	114.17	C4H6N2S	49.4	108	1.1	7	2	3	1	"InChI=1S/C4H6N2S/c1-2-4-3-7-6-5-4/h2-3,5-6H,1H2"	C=CC1=CSNN1	OCFITHDNYNRQPC-UHFFFAOYSA-N
DG53705	"3-(1,3-Benzoxazol-2-yl)-N-(4-chloro-2-methylphenyl)-2-oxopropanamide"	366514	"NSC635123; CHEMBL1975943; ZINC1624252; 3-(1,3-Benzoxazol-2-yl)-N-(4-chloro-2-methylphenyl)-2-oxopropanamide; NSC-635123; NCI60_011669; 3-(1,3-benzoxazol-2-yl)-N-(4-chloro-2-methyl-phenyl)-2-oxo-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635123	.	.	.	.	328.7	C17H13ClN2O3	72.2	459	3.4	23	1	4	4	"InChI=1S/C17H13ClN2O3/c1-10-8-11(18)6-7-12(10)20-17(22)14(21)9-16-19-13-4-2-3-5-15(13)23-16/h2-8H,9H2,1H3,(H,20,22)"	CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)CC2=NC3=CC=CC=C3O2	FITCDFQNYHLDFA-UHFFFAOYSA-N
DG53706	"N-(2-Ethyl-6-methylphenyl)-3-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propanamide"	366518	"NSC635127; CHEMBL1995393; ZINC1624255; NSC-635127; N-(2-Ethyl-6-methylphenyl)-3-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propanamide; NCI60_011673; N-(2-ethyl-6-methyl-phenyl)-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635127	.	.	.	.	305.4	C15H19N3O2S	93.3	343	2.9	21	1	5	6	"InChI=1S/C15H19N3O2S/c1-4-11-7-5-6-10(2)14(11)16-12(19)8-9-13-17-18-15(20-13)21-3/h5-7H,4,8-9H2,1-3H3,(H,16,19)"	CCC1=CC=CC(=C1NC(=O)CCC2=NN=C(O2)SC)C	ORDCFYRUBSQPSH-UHFFFAOYSA-N
DG53707	Methyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate	366521	NSC635130; methyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate; Methyl 4-oxo-4-(3-(trifluoromethyl)anilino)butanoate; CHEMBL1988538; ZINC374852; STK439738; AKOS000511181; MCULE-5432900748; NSC-635130; NCI60_011676; SR-01000361048; SR-01000361048-1; methyl 4-oxo-4-{[3-(trifluoromethyl)phenyl]amino}butanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635130	.	.	.	.	275.22	C12H12F3NO3	55.4	331	2.1	19	1	6	5	"InChI=1S/C12H12F3NO3/c1-19-11(18)6-5-10(17)16-9-4-2-3-8(7-9)12(13,14)15/h2-4,7H,5-6H2,1H3,(H,16,17)"	COC(=O)CCC(=O)NC1=CC=CC(=C1)C(F)(F)F	VXFSECSCKBYNJV-UHFFFAOYSA-N
DG53708	"5,7-Dichloro-3-hydroxy-3-(2-(2-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one"	366527	"NSC635136; CHEMBL2005639; NSC-635136; 5,7-Dichloro-3-hydroxy-3-(2-(2-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one; NCI60_011682; 5,7-dichloro-3-hydroxy-3-[2-(2-naphthyl)-2-oxo-ethyl]indolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635136	.	.	.	.	386.2	C20H13Cl2NO3	66.4	585	4.4	26	2	3	3	"InChI=1S/C20H13Cl2NO3/c21-14-8-15-18(16(22)9-14)23-19(25)20(15,26)10-17(24)13-6-5-11-3-1-2-4-12(11)7-13/h1-9,26H,10H2,(H,23,25)"	C1=CC=C2C=C(C=CC2=C1)C(=O)CC3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O	GCHNDAJZGRASHZ-UHFFFAOYSA-N
DG53709	"N-(2-ethoxyphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide"	366532	"NSC635141; CHEMBL1972637; AKOS024327729; ZINC100742264; MCULE-5466221659; NSC-635141; 1 N-(2-Ethoxyphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide; N-(2-ethoxyphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide; NCI60_011687; N-(2-ethoxyphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxo-butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635141	.	.	.	.	396.5	C21H20N2O4S	110	648	3.7	28	2	6	7	"InChI=1S/C21H20N2O4S/c1-3-27-18-10-6-4-8-14(18)23-21(26)17(25)12-16(24)20-13(2)22-15-9-5-7-11-19(15)28-20/h4-11,22H,3,12H2,1-2H3,(H,23,26)"	CCOC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(NC3=CC=CC=C3S2)C	OFXRDYFBGBMQIL-UHFFFAOYSA-N
DG53710	"3-(2-(4-Bromophenyl)-2-oxoethyl)-5-chloro-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one"	366621	"NSC635296; CHEMBL2003875; NSC-635296; 3-(2-(4-Bromophenyl)-2-oxoethyl)-5-chloro-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one; NCI60_011708; 3-[2-(4-bromophenyl)-2-oxo-ethyl]-5-chloro-3-hydroxy-7-methyl-indolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635296	.	.	.	.	394.6	C17H13BrClNO3	66.4	494	3.6	23	2	3	3	"InChI=1S/C17H13BrClNO3/c1-9-6-12(19)7-13-15(9)20-16(22)17(13,23)8-14(21)10-2-4-11(18)5-3-10/h2-7,23H,8H2,1H3,(H,20,22)"	CC1=CC(=CC2=C1NC(=O)C2(CC(=O)C3=CC=C(C=C3)Br)O)Cl	CIMUGHIYCUFSOP-UHFFFAOYSA-N
DG53711	"5,7-Dichloro-3-hydroxy-3-(2-(4-hydroxyphenyl)-1-methyl-2-oxoethyl)-1,3-dihydro-2H-indol-2-one"	366622	"NSC635297; CHEMBL1990305; NSC-635297; 5,7-Dichloro-3-hydroxy-3-(2-(4-hydroxyphenyl)-1-methyl-2-oxoethyl)-1,3-dihydro-2H-indol-2-one; NCI60_011709; 5,7-dichloro-3-hydroxy-3-[2-(4-hydroxyphenyl)-1-methyl-2-oxo-ethyl]indolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635297	.	.	.	.	366.2	C17H13Cl2NO4	86.6	523	3.4	24	3	4	3	"InChI=1S/C17H13Cl2NO4/c1-8(15(22)9-2-4-11(21)5-3-9)17(24)12-6-10(18)7-13(19)14(12)20-16(17)23/h2-8,21,24H,1H3,(H,20,23)"	CC(C(=O)C1=CC=C(C=C1)O)C2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O	ARAHZOQFRZLIQU-UHFFFAOYSA-N
DG53712	"3'-benzoyl-5,7-dichlorospiro[1H-indole-3,2'-oxirane]-2-one"	366631	NSC635306; CHEMBL1968179; NSC-635306; NCI60_011718	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635306	.	.	.	.	334.1	C16H9Cl2NO3	58.7	508	3.1	22	1	3	2	"InChI=1S/C16H9Cl2NO3/c17-9-6-10-12(11(18)7-9)19-15(21)16(10)14(22-16)13(20)8-4-2-1-3-5-8/h1-7,14H,(H,19,21)"	C1=CC=C(C=C1)C(=O)C2C3(O2)C4=C(C(=CC(=C4)Cl)Cl)NC3=O	FTUTYMVOKVWCIV-UHFFFAOYSA-N
DG53713	"5-Chloro-3-(2-(4-chlorophenyl)-1-methyl-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one"	366645	"NSC635320; CHEMBL2003295; NSC-635320; 5-Chloro-3-(2-(4-chlorophenyl)-1-methyl-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one; NCI60_011732; 5-chloro-3-[2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl]-3-hydroxy-7-methyl-indolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635320	.	.	.	.	364.2	C18H15Cl2NO3	66.4	520	4.1	24	2	3	3	"InChI=1S/C18H15Cl2NO3/c1-9-7-13(20)8-14-15(9)21-17(23)18(14,24)10(2)16(22)11-3-5-12(19)6-4-11/h3-8,10,24H,1-2H3,(H,21,23)"	CC1=CC(=CC2=C1NC(=O)C2(C(C)C(=O)C3=CC=C(C=C3)Cl)O)Cl	PQRBZIDVWQNJIV-UHFFFAOYSA-N
DG53714	"6-Chloro-3-hydroxy-7-methyl-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one"	366646	"NSC635321; 6-Chloro-3-hydroxy-7-methyl-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one; CHEMBL1986023; NSC-635321; NCI60_011733; 6-chloro-3-hydroxy-7-methyl-3-(2-oxo-1,2-diphenyl-ethyl)indolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635321	.	.	.	.	391.8	C23H18ClNO3	66.4	599	4.6	28	2	3	4	"InChI=1S/C23H18ClNO3/c1-14-18(24)13-12-17-20(14)25-22(27)23(17,28)19(15-8-4-2-5-9-15)21(26)16-10-6-3-7-11-16/h2-13,19,28H,1H3,(H,25,27)"	CC1=C(C=CC2=C1NC(=O)C2(C(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)O)Cl	WTTVOLUUKVXFHM-UHFFFAOYSA-N
DG53715	"4,7-Dichloro-3-hydroxy-3-(2-(2-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one"	366652	"NSC635327; CHEMBL1965794; SCHEMBL19419568; NSC-635327; 4,7-Dichloro-3-hydroxy-3-(2-(2-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one; NCI60_011739; 4,7-dichloro-3-hydroxy-3-[2-(2-naphthyl)-2-oxo-ethyl]indolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635327	.	.	.	.	386.2	C20H13Cl2NO3	66.4	585	4.4	26	2	3	3	"InChI=1S/C20H13Cl2NO3/c21-14-7-8-15(22)18-17(14)20(26,19(25)23-18)10-16(24)13-6-5-11-3-1-2-4-12(11)9-13/h1-9,26H,10H2,(H,23,25)"	C1=CC=C2C=C(C=CC2=C1)C(=O)CC3(C4=C(C=CC(=C4NC3=O)Cl)Cl)O	WQCYNLDLKZSHSU-UHFFFAOYSA-N
DG53716	"5-Chloro-3-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one"	366665	"NSC635340; CHEMBL1982416; NSC-635340; 5-Chloro-3-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one; NCI60_011752; 5-chloro-3-[2-(2-furyl)-2-oxo-ethyl]-3-hydroxy-7-methyl-indolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635340	.	.	.	.	305.71	C15H12ClNO4	79.5	457	2.3	21	2	4	3	"InChI=1S/C15H12ClNO4/c1-8-5-9(16)6-10-13(8)17-14(19)15(10,20)7-11(18)12-3-2-4-21-12/h2-6,20H,7H2,1H3,(H,17,19)"	CC1=CC(=CC2=C1NC(=O)C2(CC(=O)C3=CC=CO3)O)Cl	QBHIUPQPVDCONJ-UHFFFAOYSA-N
DG53717	"2(H)-[1]Benzothiopyrano[4,2-cd]indazol-8-ol, 5-[(2-amino-ethyl)amino]-2-[2-(diethylamino)ethyl]-, trihydrochloride"	366672	"CHEMBL1983659; NSC374610; NSC635371; NSC-374610; NSC-635371; 2(H)-[1]Benzothiopyrano[4,2-cd]indazol-8-ol, 5-[(2-amino-ethyl)amino]-2-[2-(diethylamino)ethyl]-, trihydrochloride; 2H-[1]Benzothiopyran[4,2-cd]indazol-8-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]-, hydrochloride; 2H-[1]Benzothiopyrano[4,2-cd]indazol-8-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]-, hydrochloride (50:189)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635371	.	.	.	.	434	C21H28ClN5OS	98.9	699	.	29	4	7	8	"InChI=1S/C21H27N5OS.ClH/c1-3-25(4-2)11-12-26-17-8-7-16(23-10-9-22)21-19(17)20(24-26)15-6-5-14(27)13-18(15)28-21;/h5-8,13,23-24H,3-4,9-12,22H2,1-2H3;1H"	CCN(CC)CCN1C2=C3C(=C4C=CC(=O)C=C4SC3=C(C=C2)NCCN)N1.Cl	QYWZLNAKLNKCMZ-UHFFFAOYSA-N
DG53718	"4-(3-Methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxo-N-phenylbutanamide"	366676	"NSC635393; CHEMBL1986161; 4-(3-Methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxo-N-phenylbutanamide; ZINC102979797; NSC-635393; NCI60_011762; 4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxo-N-phenyl-butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635393	.	.	.	.	352.4	C19H16N2O3S	101	581	3.3	25	2	5	5	"InChI=1S/C19H16N2O3S/c1-12-18(25-17-10-6-5-9-14(17)20-12)15(22)11-16(23)19(24)21-13-7-3-2-4-8-13/h2-10,20H,11H2,1H3,(H,21,24)"	CC1=C(SC2=CC=CC=C2N1)C(=O)CC(=O)C(=O)NC3=CC=CC=C3	WAUONNIQZHLJNX-UHFFFAOYSA-N
DG53719	"5,7-Dichloro-3-[2-(2,4-dibromophenyl)-2-oxo-ethyl]-3-hydroxy-indolin-2-one"	366688	"NSC635405; 907954-41-0; CHEMBL1986568; DTXSID60327149; NSC-635405; NCI60_011774; 1H-Indol-2-one,4-dibromophenyl)-2-oxoethyl]- 5,7-dichloro-2,3-dihydro-3-hydroxy-; 5,7-Dichloro-3-(2-(2,4-dibromophenyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one; 5,7-dichloro-3-[2-(2,4-dibromophenyl)-2-oxo-ethyl]-3-hydroxy-indolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635405	.	.	.	.	494	C16H9Br2Cl2NO3	66.4	538	4.5	24	2	3	3	"InChI=1S/C16H9Br2Cl2NO3/c17-7-1-2-9(11(18)3-7)13(22)6-16(24)10-4-8(19)5-12(20)14(10)21-15(16)23/h1-5,24H,6H2,(H,21,23)"	C1=CC(=C(C=C1Br)Br)C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O	SGEQJPGMZJHPIN-UHFFFAOYSA-N
DG53720	"6-Chloro-3-(2-(4-chlorophenyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one"	366699	"NSC635416; CHEMBL2000669; NSC-635416; 6-Chloro-3-(2-(4-chlorophenyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one; NCI60_011785; 6-chloro-3-[2-(4-chlorophenyl)-2-oxo-ethyl]-3-hydroxy-7-methyl-indolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635416	.	.	.	.	350.2	C17H13Cl2NO3	66.4	492	3.5	23	2	3	3	"InChI=1S/C17H13Cl2NO3/c1-9-13(19)7-6-12-15(9)20-16(22)17(12,23)8-14(21)10-2-4-11(18)5-3-10/h2-7,23H,8H2,1H3,(H,20,22)"	CC1=C(C=CC2=C1NC(=O)C2(CC(=O)C3=CC=C(C=C3)Cl)O)Cl	VASQUNWADQAPIT-UHFFFAOYSA-N
DG53721	"4-(4-nitrophenyl)-2,4-dioxo-N-thiazol-2-yl-butanamide"	366708	"NSC635425; CHEMBL1977463; ZINC102956909; NSC-635425; NCI60_011794; 4-(4-nitrophenyl)-2,4-dioxo-N-thiazol-2-yl-butanamide; 4-(4-(Hydroxy(oxido)amino)phenyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635425	.	.	.	.	319.29	C13H9N3O5S	150	471	1.7	22	1	7	5	"InChI=1S/C13H9N3O5S/c17-10(8-1-3-9(4-2-8)16(20)21)7-11(18)12(19)15-13-14-5-6-22-13/h1-6H,7H2,(H,14,15,19)"	C1=CC(=CC=C1C(=O)CC(=O)C(=O)NC2=NC=CS2)[N+](=O)[O-]	AEABMSGGISPNLY-UHFFFAOYSA-N
DG53722	"6-Chloro-3-(2-(2,4-dichlorophenyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one"	366714	"NSC635430; CHEMBL2004476; NSC-635430; 6-Chloro-3-(2-(2,4-dichlorophenyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one; NCI60_011799; 6-chloro-3-[2-(2,4-dichlorophenyl)-2-oxo-ethyl]-3-hydroxy-7-methyl-indolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635430	.	.	.	.	384.6	C17H12Cl3NO3	66.4	531	4.2	24	2	3	3	"InChI=1S/C17H12Cl3NO3/c1-8-12(19)5-4-11-15(8)21-16(23)17(11,24)7-14(22)10-3-2-9(18)6-13(10)20/h2-6,24H,7H2,1H3,(H,21,23)"	CC1=C(C=CC2=C1NC(=O)C2(CC(=O)C3=C(C=C(C=C3)Cl)Cl)O)Cl	OHYRTGIXLQIRTN-UHFFFAOYSA-N
DG53723	"5-Chloro-3-hydroxy-3-(1-methyl-2-oxo-2-phenylethyl)-1,3-dihydro-2H-indol-2-one"	366718	"NSC635434; 5-Chloro-3-hydroxy-3-(1-methyl-2-oxo-2-phenylethyl)-1,3-dihydro-2H-indol-2-one; 5-chloro-3-hydroxy-3-(1-oxo-1-phenylpropan-2-yl)-1,3-dihydro-2H-indol-2-one; Oprea1_801591; CHEMBL1993221; CCG-21447; STK037888; AKOS000542571; MCULE-3817335640; NSC-635434; NCGC00326105-01; NCI60_011803; EU-0079699; AB00148614-03; AQ-911/41051019; SR-01000502297; SR-01000502297-1; 5-chloro-3-hydroxy-3-(1-methyl-2-oxo-2-phenyl-ethyl)indolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635434	.	.	.	.	315.7	C17H14ClNO3	66.4	463	3.1	22	2	3	3	"InChI=1S/C17H14ClNO3/c1-10(15(20)11-5-3-2-4-6-11)17(22)13-9-12(18)7-8-14(13)19-16(17)21/h2-10,22H,1H3,(H,19,21)"	CC(C(=O)C1=CC=CC=C1)C2(C3=C(C=CC(=C3)Cl)NC2=O)O	ORTHIZOGJSFWBH-UHFFFAOYSA-N
DG53724	"5,7-dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-indol-2-one"	366721	"NSC635438; CHEMBL2001717; CHEBI:184393; 5,7-dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-indol-2-one; NSC-635438; NCI60_011807; 5,7-dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxo-ethyl]indolin-2-one; 2-(5,7-Dichloro-2,3-dihydroxy-3H-indol-3-yl)-1-(3-nitrophenyl)ethan-1-one; 5,7-dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one; 5,7-Dichloro-3-hydroxy-3-(2-(3-(hydroxy(oxido)amino)phenyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635438	.	.	.	.	381.2	C16H10Cl2N2O5	112	583	3	25	2	5	3	"InChI=1S/C16H10Cl2N2O5/c17-9-5-11-14(12(18)6-9)19-15(22)16(11,23)7-13(21)8-2-1-3-10(4-8)20(24)25/h1-6,23H,7H2,(H,19,22)"	C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O	CGVKNDAEXKLQAY-UHFFFAOYSA-N
DG53725	"4,7-Dichloro-3-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one"	366726	"NSC635443; CHEMBL1983054; NSC-635443; 4,7-Dichloro-3-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one; NCI60_011812; 4,7-dichloro-3-[2-(2-furyl)-2-oxo-ethyl]-3-hydroxy-indolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635443	.	.	.	.	326.1	C14H9Cl2NO4	79.5	460	2.6	21	2	4	3	"InChI=1S/C14H9Cl2NO4/c15-7-3-4-8(16)12-11(7)14(20,13(19)17-12)6-9(18)10-2-1-5-21-10/h1-5,20H,6H2,(H,17,19)"	C1=COC(=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	OBWWJIRIIGIDGW-UHFFFAOYSA-N
DG53726	"1-[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxy-1,3,5-triazin-2-one"	366731	NSC635453; NSC-635453; NCI60_011821	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635453	.	.	.	.	255.23	C10H13N3O5	115	445	-1.9	18	3	5	3	"InChI=1S/C10H13N3O5/c1-18-9-11-4-13(10(17)12-9)6-2-5(3-14)7(15)8(6)16/h2,4,6-8,14-16H,3H2,1H3"	COC1=NC(=O)N(C=N1)C2C=C(C(C2O)O)CO	QJILVROEIMWXGZ-UHFFFAOYSA-N
DG53727	"2,3,9,10-Tetramethoxyindolo[2,1-a]isoquinoline"	366739	"NSC635461; 2,3,9,10-Tetramethoxyindolo[2,1-a]isoquinoline; CHEMBL1985808; ZINC1624479; NSC-635461; NCI60_011829; 2,9,10-Tetramethoxyindolo[2,1-a]isoquinoline; 2,3,9,10-Tetramethoxyindolo[2,1-a]isoquinoline, compound with dichloromethane [50:7]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635461	.	.	.	.	337.4	C20H19NO4	41.3	461	5	25	0	4	4	"InChI=1S/C20H19NO4/c1-22-17-8-12-5-6-21-15-11-20(25-4)18(23-2)9-13(15)7-16(21)14(12)10-19(17)24-3/h5-11H,1-4H3"	COC1=C(C=C2C(=C1)C=CN3C2=CC4=CC(=C(C=C43)OC)OC)OC	XNRNTISMBNPOTJ-UHFFFAOYSA-N
DG53728	Ethyl 2-oxo-2-[2-(trifluoromethyl)anilino]acetate	366746	ethyl 2-oxo-2-[2-(trifluoromethyl)anilino]acetate; NSC635519; ethyl oxo{[2-(trifluoromethyl)phenyl]amino}acetate; CHEMBL1999167; SCHEMBL20827130; ZINC1624484; STL261073; AKOS003280875; MCULE-3867053085; NSC-635519; NCI60_011831; 2-[2-(Trifluoromethyl)phenylamino]glyoxylic acid ethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635519	.	.	.	.	261.2	C11H10F3NO3	55.4	317	1.8	18	1	6	4	"InChI=1S/C11H10F3NO3/c1-2-18-10(17)9(16)15-8-6-4-3-5-7(8)11(12,13)14/h3-6H,2H2,1H3,(H,15,16)"	CCOC(=O)C(=O)NC1=CC=CC=C1C(F)(F)F	MSCBOQJZOMFVOS-UHFFFAOYSA-N
DG53729	"4-(1,3-Benzothiazol-2-yl)-1-(2-ethoxyphenyl)-2,3,5,6-piperidinetetrone"	366751	"NSC635524; 4-(1,3-Benzothiazol-2-yl)-1-(2-ethoxyphenyl)-2,3,5,6-piperidinetetrone; CHEMBL1998700; 4-(1,3-benzothiazol-2-yl)-1-(2-ethoxyphenyl)piperidine-2,3,5,6-tetrone; ZINC102963896; NSC-635524; NCI60_011836"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635524	.	.	.	.	394.4	C20H14N2O5S	122	656	3.3	28	0	7	4	"InChI=1S/C20H14N2O5S/c1-2-27-13-9-5-4-8-12(13)22-19(25)16(23)15(17(24)20(22)26)18-21-11-7-3-6-10-14(11)28-18/h3-10,15H,2H2,1H3"	CCOC1=CC=CC=C1N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3	ZDAVAGZRRLLSDO-UHFFFAOYSA-N
DG53730	"4-(1,3-Benzothiazol-2-yl)-1-(3-(trifluoromethyl)phenyl)-2,3,5,6-piperidinetetrone"	366752	"NSC635525; 4-(1,3-Benzothiazol-2-yl)-1-(3-(trifluoromethyl)phenyl)-2,3,5,6-piperidinetetrone; CHEMBL1985301; ZINC102934203; NSC-635525; 4-(1,3-benzothiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-2,3,5,6-tetrone; NCI60_011837"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635525	.	.	.	.	418.3	C19H9F3N2O4S	113	716	3.8	29	0	9	2	"InChI=1S/C19H9F3N2O4S/c20-19(21,22)9-4-3-5-10(8-9)24-17(27)14(25)13(15(26)18(24)28)16-23-11-6-1-2-7-12(11)29-16/h1-8,13H"	C1=CC=C2C(=C1)N=C(S2)C3C(=O)C(=O)N(C(=O)C3=O)C4=CC=CC(=C4)C(F)(F)F	JVKDNDNHACUQKN-UHFFFAOYSA-N
DG53731	Ethyl (2-ethyl-6-isopropylanilino)(oxo)acetate	366753	NSC635526; Ethyl (2-ethyl-6-isopropylanilino)(oxo)acetate; CHEMBL1998571; ZINC1624491; AKOS024326836; MCULE-2578161167; NSC-635526; NCI60_011838; ethyl 2-(2-ethyl-6-isopropyl-anilino)-2-oxo-acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635526	.	.	.	.	263.33	C15H21NO3	55.4	315	2.8	19	1	3	6	"InChI=1S/C15H21NO3/c1-5-11-8-7-9-12(10(3)4)13(11)16-14(17)15(18)19-6-2/h7-10H,5-6H2,1-4H3,(H,16,17)"	CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)OCC	IFCFJKRMIDLVJN-UHFFFAOYSA-N
DG53732	"Methyl 2-(2-(3,4-dichloroanilino)-2-oxoethyl)-4-(2-ethyl-6-isopropylanilino)-3,4-dioxobutanoate"	366772	"NSC635545; CHEMBL2001217; NSC-635545; Methyl 2-(2-(3,4-dichloroanilino)-2-oxoethyl)-4-(2-ethyl-6-isopropylanilino)-3,4-dioxobutanoate; NCI60_011857; methyl 2-[2-(3,4-dichloroanilino)-2-oxo-ethyl]-4-(2-ethyl-6-isopropyl-anilino)-3,4-dioxo-butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635545	.	.	.	.	493.4	C24H26Cl2N2O5	102	717	5	33	2	5	10	"InChI=1S/C24H26Cl2N2O5/c1-5-14-7-6-8-16(13(2)3)21(14)28-23(31)22(30)17(24(32)33-4)12-20(29)27-15-9-10-18(25)19(26)11-15/h6-11,13,17H,5,12H2,1-4H3,(H,27,29)(H,28,31)"	CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C(CC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)OC	CVXATYQXHDGXNY-UHFFFAOYSA-N
DG53733	3-(1-Azocanyl)-3-oxopropanenitrile	366787	NSC635560; 3-(1-Azocanyl)-3-oxopropanenitrile; CHEMBL2000976; ZINC5566851; AKOS006035489; NSC-635560; 3-(azocan-1-yl)-3-oxo-propanenitrile; NCI60_011872	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635560	.	.	.	.	180.25	C10H16N2O	44.1	208	1.4	13	0	2	1	"InChI=1S/C10H16N2O/c11-7-6-10(13)12-8-4-2-1-3-5-9-12/h1-6,8-9H2"	C1CCCN(CCC1)C(=O)CC#N	HZCRGFDFWGXXQR-UHFFFAOYSA-N
DG53734	"3-(1,5-Oxazocan-5-yl)-3-oxopropanenitrile"	366789	"NSC635562; 3-(1,5-Oxazocan-5-yl)-3-oxopropanenitrile; CHEMBL1974440; ZINC1624520; NSC-635562; NCI60_011874; 3-(1,5-oxazocan-5-yl)-3-oxo-propanenitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635562	.	.	.	.	182.22	C9H14N2O2	53.3	211	0	13	0	3	1	"InChI=1S/C9H14N2O2/c10-4-3-9(12)11-5-1-7-13-8-2-6-11/h1-3,5-8H2"	C1CN(CCCOC1)C(=O)CC#N	RKQRONUUYACSDX-UHFFFAOYSA-N
DG53735	"Ethyl 2-(3,4-dimethylanilino)-2-oxoacetate"	366793	"24451-17-0; ethyl 2-(3,4-dimethylanilino)-2-oxoacetate; NSC635566; ethyl [(3,4-dimethylphenyl)amino](oxo)acetate; acetic acid, 2-[(3,4-dimethylphenyl)amino]-2-oxo-, ethyl ester; Ethyl (3,4-dimethylanilino)(oxo)acetate; 2-Amino-2-oxo-acetic acid, N-[3,4-dimethylphenyl]-, ethyl ester; Ethyl 2-((3,4-dimethylphenyl)amino)-2-oxoacetate; ethyl [(3,4-dimethylphenyl)carbamoyl]formate; CHEMBL1984023; DTXSID50327153; ZINC1624523; HTS004577; MFCD00205892; STK085688; AKOS000344169; BS-4293; MCULE-7916989387; NSC-635566; NCI60_011878; Ethyl (3,4-dimethylanilino)(oxo)acetate #; CS-0299200; ethyl 2-(3,4-dimethylanilino)-2-oxo-acetate; Acetic acid, 2-[(3,4-dimethylphenyl)amino]-2-; A1-00852"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635566	.	.	.	.	221.25	C12H15NO3	55.4	265	2.8	16	1	3	4	"InChI=1S/C12H15NO3/c1-4-16-12(15)11(14)13-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3,(H,13,14)"	CCOC(=O)C(=O)NC1=CC(=C(C=C1)C)C	WGQGYKSFMHBSCC-UHFFFAOYSA-N
DG53736	Ethyl (1-adamantylamino)(oxo)acetate	366798	"Ethyl (1-adamantylamino)(oxo)acetate; 52944-12-4; ethyl 2-(adamantan-1-ylamino)-2-oxoacetate; ethyl 2-(1-adamantylamino)-2-oxoacetate; NSC635570; MLS002701667; SMR000230282; MLS000701651; Acetamide,7)]decan- 1-yl)-; CHEMBL1440049; HMS2528I10; ZINC4671308; AKOS008969040; NSC-635570; AS-65580; ethyl [(adamantan-1-yl)carbamoyl]formate; NCI60_011882; ethyl 2-(1-adamantylamino)-2-oxo-acetate; CS-0331865; D86243; AQ-911/40406197; ETHYL 2-((3S,5S,7S)-ADAMANTAN-1-YLAMINO)-2-OXOACETATE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635570	.	.	.	.	251.32	C14H21NO3	55.4	336	2.9	18	1	3	4	"InChI=1S/C14H21NO3/c1-2-18-13(17)12(16)15-14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,2-8H2,1H3,(H,15,16)"	CCOC(=O)C(=O)NC12CC3CC(C1)CC(C3)C2	HOHRNAAMSSTIJQ-UHFFFAOYSA-N
DG53737	4-Chlorophenyl 3-(4-methylbenzoyl)-2-oxo-3-butenoate	366801	NSC635573; 4-Chlorophenyl 3-(4-methylbenzoyl)-2-oxo-3-butenoate; CHEMBL1983912; ZINC1624527; NSC-635573; NCI60_011885; (4-chlorophenyl) 3-(4-methylbenzoyl)-2-oxo-but-3-enoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635573	.	.	.	.	328.7	C18H13ClO4	60.4	483	4.7	23	0	4	6	"InChI=1S/C18H13ClO4/c1-11-3-5-13(6-4-11)16(20)12(2)17(21)18(22)23-15-9-7-14(19)8-10-15/h3-10H,2H2,1H3"	CC1=CC=C(C=C1)C(=O)C(=C)C(=O)C(=O)OC2=CC=C(C=C2)Cl	NALSGSAXTMDTKI-UHFFFAOYSA-N
DG53738	"N-(4-chlorophenyl)-4-methyl-1,6-dioxo-8,8a-dihydro-7H-pyrrolo[1,2-d][1,2,4]triazine-2-carboxamide"	366811	NSC635583; CHEMBL2007342; NSC-635583; NCI60_011896	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635583	.	.	.	.	320.73	C14H13ClN4O3	82.1	542	1	22	1	4	1	"InChI=1S/C14H13ClN4O3/c1-8-17-19(13(21)11-6-7-12(20)18(8)11)14(22)16-10-4-2-9(15)3-5-10/h2-5,11H,6-7H2,1H3,(H,16,22)"	CC1=NN(C(=O)C2N1C(=O)CC2)C(=O)NC3=CC=C(C=C3)Cl	SGLDBTHVOVYPMN-UHFFFAOYSA-N
DG53739	"9-N-(N'-bis-chloroethyl-N-1,4-diaminobutyl)2-methoxyacridine-dihydrochloride"	366819	"NSC635591; CHEMBL543474; 9-N-(N'-bis-chloroethyl-N-1,4-diaminobutyl)2-methoxyacridine -dihydrochloride; NSC-635591"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635591	.	.	.	.	456.8	C22H28Cl3N3O	37.4	436	.	29	2	4	11	"InChI=1S/C22H27Cl2N3O.ClH/c1-28-17-8-9-21-19(16-17)22(18-6-2-3-7-20(18)26-21)25-12-4-5-13-27(14-10-23)15-11-24;/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,25,26);1H"	COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCCCN(CCCl)CCCl.Cl	YVWRGOMOEQUYTB-UHFFFAOYSA-N
DG53740	[5-hydroxy-2-[(E)-[4-(2-pyridylsulfamoyl)phenyl]azo]phenyl]urea	366842	NSC635818; CHEMBL1995725; ZINC17778485; ZINC104286526; NSC-635818; NCI60_011912; [5-hydroxy-2-[(E)-[4-(2-pyridylsulfamoyl)phenyl]azo]phenyl]urea; 4-((2-((Aminocarbonyl)amino)-4-hydroxyphenyl)diazenyl)-N-(2-pyridinyl)benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635818	.	.	.	.	412.4	C18H16N6O4S	168	674	-2.2	29	4	8	6	"InChI=1S/C18H16N6O4S/c19-18(26)21-16-11-13(25)6-9-15(16)23-22-12-4-7-14(8-5-12)29(27,28)24-17-3-1-2-10-20-17/h1-11,25H,(H,20,24)(H3,19,21,26)"	C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)O)NC(=O)N	FMEWCSJBOPKQFH-UHFFFAOYSA-N
DG53741	"3-(4-Chlorophenoxy)propane-1,2-diyl bis[(4-methylphenyl)carbamate]"	366846	"NSC635823; 3-(4-Chlorophenoxy)propane-1,2-diyl bis[(4-methylphenyl)carbamate]; CHEMBL1975077; NSC-635823; NCI60_011917; [3-(4-chlorophenoxy)-2-(p-tolylcarbamoyloxy)propyl] N-(p-tolyl)carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635823	.	.	.	.	468.9	C25H25ClN2O5	85.9	598	5.9	33	2	5	10	"InChI=1S/C25H25ClN2O5/c1-17-3-9-20(10-4-17)27-24(29)32-16-23(15-31-22-13-7-19(26)8-14-22)33-25(30)28-21-11-5-18(2)6-12-21/h3-14,23H,15-16H2,1-2H3,(H,27,29)(H,28,30)"	CC1=CC=C(C=C1)NC(=O)OCC(COC2=CC=C(C=C2)Cl)OC(=O)NC3=CC=C(C=C3)C	YSBRQTZWSCEGIV-UHFFFAOYSA-N
DG53742	[3-(2-methylphenoxy)-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate	366847	"NSC635824; CHEMBL1974252; NIOSH/TY9342100; 1,2-Propanediol, 3-(2-methylphenoxy)-, bis(phenylcarbamate); [3-(2-methylphenoxy)-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate; NSC-635824; NCI60_011918; 3-o-Tolyloxypropane-1,2-diol dicarbanilate; TY93421000; 3-(o-Methylphenoxy)-1,2-propanediol dicarbanilate; 1,2-Propanediol, 3-(o-methylphenoxy)-, dicarbanilate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635824	.	.	.	.	420.5	C24H24N2O5	85.9	546	4.9	31	2	5	10	"InChI=1S/C24H24N2O5/c1-18-10-8-9-15-22(18)29-16-21(31-24(28)26-20-13-6-3-7-14-20)17-30-23(27)25-19-11-4-2-5-12-19/h2-15,21H,16-17H2,1H3,(H,25,27)(H,26,28)"	CC1=CC=CC=C1OCC(COC(=O)NC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3	YHAXHQQDFSXBAM-UHFFFAOYSA-N
DG53743	"2-(3,4-Dichloro-5-hydroxytetrahydro-2-furanyl)-1-(2,5-dimethylphenyl)ethanone"	366852	"NSC635831; 2-(3,4-Dichloro-5-hydroxytetrahydro-2-furanyl)-1-(2,5-dimethylphenyl)ethanone; CHEMBL1988994; NSC-635831; NCI60_011925; 2-(3,4-dichloro-5-hydroxy-tetrahydrofuran-2-yl)-1-(2,5-dimethylphenyl)ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635831	.	.	.	.	303.2	C14H16Cl2O3	46.5	337	2.8	19	1	3	3	"InChI=1S/C14H16Cl2O3/c1-7-3-4-8(2)9(5-7)10(17)6-11-12(15)13(16)14(18)19-11/h3-5,11-14,18H,6H2,1-2H3"	CC1=CC(=C(C=C1)C)C(=O)CC2C(C(C(O2)O)Cl)Cl	KVGRFPSXOUEZGT-UHFFFAOYSA-N
DG53744	[3-(2-methoxyphenoxy)-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate	366853	"NSC635832; CHEMBL2001630; NIOSH/TY8753200; 1,2-Propanediol, 3-(2-methoxyphenoxy)-, bis(phenylcarbamate); [3-(2-methoxyphenoxy)-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate; NSC-635832; NCI60_011926; TY87532000; 3-(o-Methoxyphenoxy)propane-1,2-diol dicarbanilate; 1,2-Propanediol, 3-(o-methoxyphenoxy)-, dicarbanilate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635832	.	.	.	.	436.5	C24H24N2O6	95.1	563	4.5	32	2	6	11	"InChI=1S/C24H24N2O6/c1-29-21-14-8-9-15-22(21)30-16-20(32-24(28)26-19-12-6-3-7-13-19)17-31-23(27)25-18-10-4-2-5-11-18/h2-15,20H,16-17H2,1H3,(H,25,27)(H,26,28)"	COC1=CC=CC=C1OCC(COC(=O)NC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3	XQKVKEPGAZLAQW-UHFFFAOYSA-N
DG53745	"N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	366855	"N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide; NSC635834; 106691-42-3; N-(2-nitrophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide; CBKinase1_002186; CBKinase1_014586; Cambridge id 6400038; Oprea1_040001; MLS000681247; CHEMBL1412258; HMS2548A13; STK951607; AKOS001487553; AKOS016193676; MCULE-4621192380; NSC-635834; NCI60_011928; SMR000269037; EU-0075799; SR-01000471148; SR-01000471148-1; BRD-A97589365-001-01-0; F1065-0584; N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetamide; N-(2-(Hydroxy(oxido)amino)phenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635834	.	.	.	.	343.4	C16H13N3O4S	129	510	2.6	24	2	5	3	"InChI=1S/C16H13N3O4S/c20-15(17-10-5-1-3-7-12(10)19(22)23)9-14-16(21)18-11-6-2-4-8-13(11)24-14/h1-8,14H,9H2,(H,17,20)(H,18,21)"	C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]	PYPLLNCCLNXPDB-UHFFFAOYSA-N
DG53746	"N-(2-tert-Butyl-6-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	366863	"NSC635842; CHEMBL2002974; NSC-635842; N-(2-tert-Butyl-6-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide; NCI60_011936; N-(2-tert-butyl-6-methyl-phenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635842	.	.	.	.	368.5	C21H24N2O2S	83.5	531	4.3	26	2	3	4	"InChI=1S/C21H24N2O2S/c1-13-8-7-9-14(21(2,3)4)19(13)23-18(24)12-17-20(25)22-15-10-5-6-11-16(15)26-17/h5-11,17H,12H2,1-4H3,(H,22,25)(H,23,24)"	CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2	PPTNRAQCNBPYMS-UHFFFAOYSA-N
DG53747	"Dioxobis(1-phenylbutane-1,3-dionato)uranium(VI)-hydrate"	366868	"NSC635905; NSC-635905; NCI60_011950; Dioxobis(1-phenylbutane-1,3-dionato)uranium(VI)- hydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635905	.	.	.	.	592.4	C20H18O6U	102	477	.	27	0	8	2	"InChI=1S/2C10H9O2.2O.U/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;;;/h2*2-7H,1H3;;;/q2*-1;;;+2"	CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.O=[U+2]=O	LYQDVBMPYZBBSF-UHFFFAOYSA-N
DG53748	"Diethoxoy(1,3,12,14-tetraonato) titanium(IV)"	366869	"NSC635906; NSC-635906; Diethoxoy(1,3,12,14-tetraonato) titanium(IV)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635906	.	.	.	.	542.5	C30H38O6Ti	114	543	.	37	0	8	4	"InChI=1S/C26H28O4.2C2H5O.Ti/c27-23(19-25(29)21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-24(28)20-26(30)22-15-9-6-10-16-22;2*1-2-3;/h5-10,13-16,19-20H,1-4,11-12,17-18H2;2*2H2,1H3;/q-2;2*-1;+4"	CC[O-].CC[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)CCCCCCCCC(=O)[CH-]C(=O)C2=CC=CC=C2.[Ti+4]	XUUUHFBWPXONSO-UHFFFAOYSA-N
DG53749	"N,N-diethyl-4-[[4-(4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium-2-yl)phenyl]diazenyl]aniline;iodide"	366877	NSC635921; CHEMBL2006207; NSC-635921	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635921	.	.	.	.	529.4	C23H24IN5S	73	523	.	30	0	6	6	"InChI=1S/C23H24N5S.HI/c1-4-28(5-2)20-14-12-19(13-15-20)26-25-18-10-8-17(9-11-18)22-24-21-7-6-16-27(3)23(21)29-22;/h6-16H,4-5H2,1-3H3;1H/q+1;/p-1"	CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=NC4=C(S3)[N+](=CC=C4)C.[I-]	IGPBONGWXWJHSS-UHFFFAOYSA-M
DG53750	"10-((3-(Diethylamino)propyl)amino)-6-methylisoquino[6,7-b][1,6]naphthyridin-12(5H)-one"	366887	"NSC635930; CHEMBL1990601; SCHEMBL13498771; NSC-635930; 10-((3-(Diethylamino)propyl)amino)-6-methylisoquino[6,7-b][1,6]naphthyridin-12(5H)-one; 10-[3-(diethylamino)propylamino]-6-methyl-5H-isoquinolino[6,7-b][1,6]naphthyridin-12-one; NCI60_011970"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635930	.	.	.	.	389.5	C23H27N5O	70.2	553	3.9	29	2	6	7	"InChI=1S/C23H27N5O/c1-4-28(5-2)12-6-9-25-23-17-13-18-21(15(3)16(17)7-11-26-23)27-20-8-10-24-14-19(20)22(18)29/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,25,26)(H,27,29)"	CCN(CC)CCCNC1=NC=CC2=C(C3=C(C=C21)C(=O)C4=C(N3)C=CN=C4)C	URXKRPPJGJDRQW-UHFFFAOYSA-N
DG53751	"N,N'-bis(2-hydroxyphenyl)propanediamide"	366911	"NSC635971; NSC-635971; N,N'-bis(2-hydroxyphenyl)propanediamide; CHEMBL174423; SCHEMBL13416408; DTXSID30327156; ZINC1624612; N,N'-Bis(2-hydroxyphenyl)malonamide; 84755-34-0; N,N'-Bis-(2-hydroxy-phenyl)-malonamide; NCI60_011993"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635971	.	.	.	.	286.28	C15H14N2O4	98.7	341	2.5	21	4	4	4	"InChI=1S/C15H14N2O4/c18-12-7-3-1-5-10(12)16-14(20)9-15(21)17-11-6-2-4-8-13(11)19/h1-8,18-19H,9H2,(H,16,20)(H,17,21)"	C1=CC=C(C(=C1)NC(=O)CC(=O)NC2=CC=CC=C2O)O	HFXZIXZPIABOKV-UHFFFAOYSA-N
DG53752	"3-(2,4-Dichlorophenoxy)propane-1,2-diyl bis[(4-methylphenyl)carbamate]"	366921	"NSC636085; 3-(2,4-Dichlorophenoxy)propane-1,2-diyl bis[(4-methylphenyl)carbamate]; CHEMBL1974881; NSC-636085; NCI60_012005; [3-(2,4-dichlorophenoxy)-2-(p-tolylcarbamoyloxy)propyl] N-(p-tolyl)carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636085	.	.	.	.	503.4	C25H24Cl2N2O5	85.9	639	6.5	34	2	5	10	"InChI=1S/C25H24Cl2N2O5/c1-16-3-8-19(9-4-16)28-24(30)33-15-21(14-32-23-12-7-18(26)13-22(23)27)34-25(31)29-20-10-5-17(2)6-11-20/h3-13,21H,14-15H2,1-2H3,(H,28,30)(H,29,31)"	CC1=CC=C(C=C1)NC(=O)OCC(COC2=C(C=C(C=C2)Cl)Cl)OC(=O)NC3=CC=C(C=C3)C	IOJQZVYRMKABDJ-UHFFFAOYSA-N
DG53753	3-((4-(Methylthio)phenoxy)methyl)-2-oxiranol	366923	NSC636087; 3-((4-(Methylthio)phenoxy)methyl)-2-oxiranol; 3-[(4-methylsulfanylphenoxy)methyl]oxiran-2-ol; CHEMBL1980869; NSC-636087; NCI60_012007	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636087	.	.	.	.	212.27	C10H12O3S	67.3	180	1.6	14	1	4	4	"InChI=1S/C10H12O3S/c1-14-8-4-2-7(3-5-8)12-6-9-10(11)13-9/h2-5,9-11H,6H2,1H3"	CSC1=CC=C(C=C1)OCC2C(O2)O	UYBBRHDKOYCCIJ-UHFFFAOYSA-N
DG53754	"Ethanone, 2-(3,4-dichloro-2,5-dihydro-5-hydroxy-2-furanyl)-1-(3-pyridinyl)-"	366925	"NSC636089; Ethanone, 2-(3,4-dichloro-2,5-dihydro-5-hydroxy-2-furanyl)-1-(3-pyridinyl)-; CHEMBL1978196; NSC-636089; NCI60_012009; 2-(3,4-dichloro-5-hydroxy-2,5-dihydrofuran-2-yl)-1-(3-pyridyl)ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636089	.	.	.	.	274.1	C11H9Cl2NO3	59.4	346	0.7	17	1	4	3	"InChI=1S/C11H9Cl2NO3/c12-9-8(17-11(16)10(9)13)4-7(15)6-2-1-3-14-5-6/h1-3,5,8,11,16H,4H2"	C1=CC(=CN=C1)C(=O)CC2C(=C(C(O2)O)Cl)Cl	QMESPANNZLBEPE-UHFFFAOYSA-N
DG53755	"4-(4-(Dimethylamino)phenyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide"	366928	"NSC636092; SCHEMBL7817200; CHEMBL1981640; ZINC31830023; NSC-636092; 4-(4-(Dimethylamino)phenyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide; NCI60_012012; Pyridine-3, 1,4-dihydro-2,6-dimethyl- 4-[4-(dimethylamino)phenyl]-N,N'-diphenyl-; 4-(4-dimethylaminophenyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636092	.	.	.	.	466.6	C29H30N4O2	73.5	772	4.6	35	3	4	6	"InChI=1S/C29H30N4O2/c1-19-25(28(34)31-22-11-7-5-8-12-22)27(21-15-17-24(18-16-21)33(3)4)26(20(2)30-19)29(35)32-23-13-9-6-10-14-23/h5-18,27,30H,1-4H3,(H,31,34)(H,32,35)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)N(C)C)C(=O)NC4=CC=CC=C4	ZJXLSQWDLZPNFM-UHFFFAOYSA-N
DG53756	"Ethyl (4-oxo-1,3-thiazolidin-2-yl)acetate"	366931	"NSC636095; Ethyl (4-oxo-1,3-thiazolidin-2-yl)acetate; CHEMBL1999190; NSC-636095; ethyl 2-(4-oxothiazolidin-2-yl)acetate; NCI60_012015"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636095	.	.	.	.	189.23	C7H11NO3S	80.7	195	0.3	12	1	4	4	"InChI=1S/C7H11NO3S/c1-2-11-7(10)3-6-8-5(9)4-12-6/h6H,2-4H2,1H3,(H,8,9)"	CCOC(=O)CC1NC(=O)CS1	CWVMIVXNCWYTHH-UHFFFAOYSA-N
DG53757	"N3,N5-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(2H-pyran-3-yl)-1,4-dihydro-3,5-pyridinedicarboxamide"	366933	"NSC636097; CHEMBL1974874; SCHEMBL13038119; ZINC31830027; NSC-636097; NCI60_012017; N3,N5-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(2H-pyran-3-yl)-1,4-dihydro-3,5-pyridinedicarboxamide; N3,N5-bis(2-methoxyphenyl)-2,6-dimethyl-4-(2H-pyran-3-yl)-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636097	.	.	.	.	487.5	C28H29N3O5	97.9	906	3.2	36	3	6	7	"InChI=1S/C28H29N3O5/c1-17-24(27(32)30-20-11-5-7-13-22(20)34-3)26(19-10-9-15-36-16-19)25(18(2)29-17)28(33)31-21-12-6-8-14-23(21)35-4/h5-15,26,29H,16H2,1-4H3,(H,30,32)(H,31,33)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=COC3)C(=O)NC4=CC=CC=C4OC	RPXRXMIVUUNFOA-UHFFFAOYSA-N
DG53758	"N-(3,4-Dimethylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide"	366976	"NSC636138; N-(3,4-Dimethylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide; MLS001199719; CHEMBL1458704; HMS2853M24; ZINC101039869; MCULE-7341007840; NSC-636138; NCI60_012058; SMR000560060; EU-0091995; N-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-2,4-dioxo-butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636138	.	.	.	.	325.4	C19H19NO4	72.5	468	3.2	24	1	4	6	"InChI=1S/C19H19NO4/c1-12-4-7-15(10-13(12)2)20-19(23)18(22)11-17(21)14-5-8-16(24-3)9-6-14/h4-10H,11H2,1-3H3,(H,20,23)"	CC1=C(C=C(C=C1)NC(=O)C(=O)CC(=O)C2=CC=C(C=C2)OC)C	MBFKPAUBOZNSAP-UHFFFAOYSA-N
DG53759	"2,3-Dimethyl-9-oxo-9H-fluorene-4-carboxamide"	366999	"NSC636327; 2,3-Dimethyl-9-oxo-9H-fluorene-4-carboxamide; CHEMBL1992776; ZINC1624688; NSC-636327; NCI60_012072; 2,3-dimethyl-9-oxo-fluorene-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636327	.	.	.	.	251.28	C16H13NO2	60.2	406	2.7	19	1	2	1	"InChI=1S/C16H13NO2/c1-8-7-12-14(13(9(8)2)16(17)19)10-5-3-4-6-11(10)15(12)18/h3-7H,1-2H3,(H2,17,19)"	CC1=CC2=C(C3=CC=CC=C3C2=O)C(=C1C)C(=O)N	ZXFUAFKHMWSLRO-UHFFFAOYSA-N
DG53760	"4-(2,4-Dichlorophenyl)-2-(3,4-dichlorophenyl)-2,3-dihydro-1,5-benzothiazepine"	367017	"NSC636344; 4-(2,4-Dichlorophenyl)-2-(3,4-dichlorophenyl)-2,3-dihydro-1,5-benzothiazepine; CHEMBL2005190; NSC-636344; NCI60_012089"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636344	.	.	.	.	453.2	C21H13Cl4NS	37.7	544	7.6	27	0	2	2	"InChI=1S/C21H13Cl4NS/c22-13-6-7-14(16(24)10-13)19-11-21(12-5-8-15(23)17(25)9-12)27-20-4-2-1-3-18(20)26-19/h1-10,21H,11H2"	C1C(SC2=CC=CC=C2N=C1C3=C(C=C(C=C3)Cl)Cl)C4=CC(=C(C=C4)Cl)Cl	DFEKIJNKYDAGJE-UHFFFAOYSA-N
DG53761	"4-(4-Chlorophenyl)-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide"	367046	"NSC636374; 4-(4-Chlorophenyl)-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide; CHEMBL1975871; NSC-636374; NCI60_012116; 4-(4-chlorophenyl)-2-(2-thienyl)-2,3-dihydro-1$l^{4},5-benzothiazepine 1-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636374	.	.	.	.	371.9	C19H14ClNOS2	76.9	504	4.1	24	0	4	2	"InChI=1S/C19H14ClNOS2/c20-14-9-7-13(8-10-14)16-12-19(17-5-3-11-23-17)24(22)18-6-2-1-4-15(18)21-16/h1-11,19H,12H2"	C1C(S(=O)C2=CC=CC=C2N=C1C3=CC=C(C=C3)Cl)C4=CC=CS4	OPMACWLLFAYQRX-UHFFFAOYSA-N
DG53762	"2-(3-nitrophenyl)-9,9a-dihydro-3aH-pyrrolo[3,4-b][1,4]benzothiazine-1,3-dione"	367051	"NSC636379; CHEMBL1989960; NSC-636379; 2-(3-nitrophenyl)-9,9a-dihydro-3aH-pyrrolo[3,4-b][1,4]benzothiazine-1,3-dione; NCI60_012121; 2-(3-(Hydroxy(oxido)amino)phenyl)-9,9a-dihydropyrrolo[3,4-b][1,4]benzothiazine-1,3(2H,3aH)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636379	.	.	.	.	341.3	C16H11N3O4S	121	566	2.8	24	1	6	1	"InChI=1S/C16H11N3O4S/c20-15-13-14(24-12-7-2-1-6-11(12)17-13)16(21)18(15)9-4-3-5-10(8-9)19(22)23/h1-8,13-14,17H"	C1=CC=C2C(=C1)NC3C(S2)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-]	YLNRKQNNHZDAES-UHFFFAOYSA-N
DG53763	"1-[1,2-Dichloro-2-[4-[1,2-dichloro-2-(2,4-dinitrophenyl)ethyl]phenyl]ethyl]-2,4-dinitro-benzene"	367124	"NSC636511; CHEMBL1987999; AKOS004904912; NSC-636511; NCI60_012143; Benzene, 1,1'-[1,4-phenylenebis(1,2-dichloro-2,1-ethanediyl)]bis[2,4-dinitro-; 1-[1,2-dichloro-2-[4-[1,2-dichloro-2-(2,4-dinitrophenyl)ethyl]phenyl]ethyl]-2,4-dinitro-benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636511	.	.	.	.	604.2	C22H14Cl4N4O8	183	803	6.3	38	0	8	6	"InChI=1S/C22H14Cl4N4O8/c23-19(21(25)15-7-5-13(27(31)32)9-17(15)29(35)36)11-1-2-12(4-3-11)20(24)22(26)16-8-6-14(28(33)34)10-18(16)30(37)38/h1-10,19-22H"	C1=CC(=CC=C1C(C(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)Cl)C(C(C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Cl)Cl	LYNBJUDBJRYFET-UHFFFAOYSA-N
DG53764	"Tetramethyl 12,14-dioxo-13-oxahexacyclo[8.5.2.12,5.02,9.06,9.011,15]octadeca-3,7,16-triene-3,4,7,8-tetracarboxylate"	367127	"NSC636514; CHEMBL1976946; NSC-636514; NCI60_012146; 6H-6,10-Etheno-3,5a-methano-9H-cyclobuta[4a,5]naphtho[2,3-c]furan-1,2,4,5-tetracarboxylic acid, 2a,3,6a,7,9a,10-hexahydro-7,9-dioxo-, tetramethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636514	.	.	.	.	498.4	C25H22O11	149	1300	0.2	36	0	11	8	"InChI=1S/C25H22O11/c1-32-18(26)11-8-7-24(16(11)22(30)34-3)9-5-6-10(13-12(9)20(28)36-21(13)29)25(24)15(8)14(19(27)33-2)17(25)23(31)35-4/h5-6,8-10,12-13,15H,7H2,1-4H3"	COC(=O)C1=C(C23CC1C4C2(C5C=CC3C6C5C(=O)OC6=O)C(=C4C(=O)OC)C(=O)OC)C(=O)OC	RFNIHWBEZABOKU-UHFFFAOYSA-N
DG53765	"10a-Methyl-5-phenyl-4,10,10a,10b-tetrahydro-1H-furo[3,4-a]carbazole-1,3(3aH)-dione"	367130	"NSC636517; 10a-Methyl-5-phenyl-4,10,10a,10b-tetrahydro-1H-furo[3,4-a]carbazole-1,3(3aH)-dione; CHEMBL2001369; 10a-methyl-5-phenyl-3a,4,10,10b-tetrahydrofuro[3,4-a]carbazole-1,3-dione; NSC-636517; NCI60_012149"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636517	.	.	.	.	331.4	C21H17NO3	55.4	648	2.6	25	1	4	1	"InChI=1S/C21H17NO3/c1-21-17(13-9-5-6-10-16(13)22-21)14(12-7-3-2-4-8-12)11-15-18(21)20(24)25-19(15)23/h2-10,15,18,22H,11H2,1H3"	CC12C3C(CC(=C1C4=CC=CC=C4N2)C5=CC=CC=C5)C(=O)OC3=O	VLCGADBNBBMNEO-UHFFFAOYSA-N
DG53766	"3,5a-Methano-5aH-cyclobuta[d]naphthalene-1,2,4,5-tetracarboxylic acid, 2a,3-dihydro-, tetramethyl ester"	367132	"NSC636519; tetramethyl [ ]tetracarboxylate; CHEMBL1997736; RCL R153257; AKOS024325527; MCULE-9393485042; NSC-636519; 3,5a-Methano-5aH-cyclobuta[d]naphthalene-1,2,4,5-tetracarboxylic acid, 2a,3-dihydro-, tetramethyl ester; NCI60_012151"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636519	.	.	.	.	400.4	C21H20O8	105	981	1.7	29	0	8	8	"InChI=1S/C21H20O8/c1-26-16(22)11-10-9-20(14(11)18(24)28-3)7-5-6-8-21(20)13(10)12(17(23)27-2)15(21)19(25)29-4/h5-8,10,13H,9H2,1-4H3"	COC(=O)C1=C(C23CC1C4C2(C=CC=C3)C(=C4C(=O)OC)C(=O)OC)C(=O)OC	KYPYYYMRGZJZCQ-UHFFFAOYSA-N
DG53767	"3-Oxido-2-phenyl-1,3-benzoxazol-3-ium"	367133	"NSC636520; 3-oxido-2-phenyl-1,3-benzoxazol-3-ium; CHEMBL1972764; 2-Phenyl-1,35-benzoxazol-3-ol; Benzoxazole, 2-phenyl-, 3-oxide; NSC-636520; NCI60_012152"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636520	.	.	.	.	211.22	C13H9NO2	38.6	240	3.1	16	0	2	1	InChI=1S/C13H9NO2/c15-14-11-8-4-5-9-12(11)16-13(14)10-6-2-1-3-7-10/h1-9H	C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3O2)[O-]	KMWQCJBXVNPTKP-UHFFFAOYSA-N
DG53768	"Furo[2, 2,3,3a,8a-tetrahydro-5,7-diiodo-4,6-dimethoxy-, cis-"	367177	"NSC636672; CHEMBL1990850; NSC-636672; NCI60_012160; Furo[2, 2,3,3a,8a-tetrahydro-5,7-diiodo-4,6-dimethoxy-, cis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636672	.	.	.	.	474.03	C12H12I2O4	36.9	317	3.1	18	0	4	2	"InChI=1S/C12H12I2O4/c1-15-9-6-5-3-4-17-12(5)18-10(6)8(14)11(16-2)7(9)13/h5,12H,3-4H2,1-2H3/t5-,12+/m1/s1"	COC1=C(C(=C(C2=C1[C@H]3CCO[C@H]3O2)I)OC)I	VHEQJWAVLIMVCO-KQDJYFMNSA-N
DG53769	"(4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate"	367178	"NSC636673; 111210-05-0; CHEMBL540440; (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate; DTXSID10327179; ZINC1624822; NSC-636673; NCI60_012161; Carbamic acid, (4,7-dihydro-4,7-dioxo-1H-benzimidazol-2-yl)methyl ester; Carbamic acid, phenyl-, (4,7-dihydro-4,7-dioxo-1H-benzimidazol-2-yl)methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636673	.	.	.	.	297.26	C15H11N3O4	101	499	1.4	22	2	5	4	"InChI=1S/C15H11N3O4/c19-10-6-7-11(20)14-13(10)17-12(18-14)8-22-15(21)16-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,21)(H,17,18)"	C1=CC=C(C=C1)NC(=O)OCC2=NC3=C(N2)C(=O)C=CC3=O	ISLJYPPXVQBTQP-UHFFFAOYSA-N
DG53770	"5h-[1,3]Thiazolo[2',3':2,3]imidazo[4,5-b]indole"	367303	"NSC364634; 60067-40-5; 5H-thiazolo[2',3':2,3]imidazo[4,5-b]indole; NSC636861; 5h-[1,3]thiazolo[2',3':2,3]imidazo[4,5-b]indole; CHEMBL1970794; SCHEMBL10540546; DTXSID70975493; ZINC5479016; NSC-364634; NCI60_012235; 5H-[1,3]Thiazolo[2',3':2,3]imidazo[4,5-b]indole hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	364634	.	.	.	.	213.26	C11H7N3S	61.3	273	3.7	15	1	2	0	"InChI=1S/C11H7N3S/c1-2-4-8-7(3-1)9-10(12-8)14-5-6-15-11(14)13-9/h1-6,12H"	C1=CC=C2C(=C1)C3=C(N2)N4C=CSC4=N3	CFHZNSBPDDMPQF-UHFFFAOYSA-N
DG53771	"5-Fluoro-1-(2,6-trideoxy-alpha-L-glycero-hexopyran-4-ulosyl) uracil"	367305	"NSC636869; CHEMBL1993559; NSC-636869; NCI60_012236; 5-Fluoro-1-(2,6-trideoxy-.alpha.-L-glycero-hexopyran-4- ulosyl) uracil"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636869	.	.	.	.	242.2	C10H11FN2O4	75.7	421	-0.4	17	1	5	1	"InChI=1S/C10H11FN2O4/c1-5-7(14)2-3-8(17-5)13-4-6(11)9(15)12-10(13)16/h4-5,8H,2-3H2,1H3,(H,12,15,16)"	CC1C(=O)CCC(O1)N2C=C(C(=O)NC2=O)F	KRPHWGDCZWDBNJ-UHFFFAOYSA-N
DG53772	"3-Methoxy-2-phenoxy-2-phenylimidazo[1,2-b]pyridazine"	367310	"NSC636878; 3-Methoxy-2-phenoxy-2-phenylimidazo[1,2-b]pyridazine; CHEMBL1971542; SCHEMBL10480562; ZINC13216053; NSC-636878; NCI60_012241; 3-methoxy-6-phenoxy-2-phenyl-imidazo[1,2-b]pyridazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636878	.	.	.	.	317.3	C19H15N3O2	48.6	396	4.2	24	0	4	4	"InChI=1S/C19H15N3O2/c1-23-19-18(14-8-4-2-5-9-14)20-16-12-13-17(21-22(16)19)24-15-10-6-3-7-11-15/h2-13H,1H3"	COC1=C(N=C2N1N=C(C=C2)OC3=CC=CC=C3)C4=CC=CC=C4	IUZQKEQPFSPXKK-UHFFFAOYSA-N
DG53773	"4-carbamoyl-6-hydroxy-2-methyl-7-[(2-sulfamoylacetyl)amino]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyridine-7-carboxylic acid"	367344	"NSC636979; 4-(Aminocarbonyl)-7-(((aminosulfonyl)acetyl)amino)-6-hydroxy-2-methyl-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine-7-carboxylic acid; 4-carbamoyl-6-hydroxy-2-methyl-7-[(2-sulfamoylacetyl)amino]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyridine-7-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636979	.	.	.	.	376.39	C13H20N4O7S	202	744	-2.3	25	5	9	5	"InChI=1S/C13H20N4O7S/c1-17-3-7(11(14)20)6-2-9(18)13(12(21)22,8(6)4-17)16-10(19)5-25(15,23)24/h3,6,8-9,18H,2,4-5H2,1H3,(H2,14,20)(H,16,19)(H,21,22)(H2,15,23,24)"	CN1CC2C(CC(C2(C(=O)O)NC(=O)CS(=O)(=O)N)O)C(=C1)C(=O)N	VZRFZUPFQKSXPV-UHFFFAOYSA-N
DG53774	"4,6,7-Trichloro-3H-1,2,3-benzodithiazole 2-oxide"	367355	"NSC636992; 4,6,7-Trichloro-3H-1,2,3-benzodithiazole 2-oxide; CHEMBL1980331; NSC-636992; NCI60_012257; 4,6,7-trichloro-3H-1,2$l^{4},3-benzodithiazole 2-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636992	.	.	.	.	274.6	C6H2Cl3NOS2	89.3	242	3.4	13	1	3	0	"InChI=1S/C6H2Cl3NOS2/c7-2-1-3(8)5-6(4(2)9)12-13(11)10-5/h1,10H"	C1=C(C2=C(C(=C1Cl)Cl)SS(=O)N2)Cl	JKKJZIMNUPVVMA-UHFFFAOYSA-N
DG53775	"5,7-Dimethyl-3H-1,2,3-benzodithiazole 2-oxide"	367356	"NSC636993; 5,7-Dimethyl-3H-1,2,3-benzodithiazole 2-oxide; CHEMBL1976434; ZINC5722962; ZINC6484406; NSC-636993; NCI60_012258; 5,7-dimethyl-3H-1,2$l^{4},3-benzodithiazole 2-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636993	.	.	.	.	199.3	C8H9NOS2	89.3	209	2.3	12	1	3	0	"InChI=1S/C8H9NOS2/c1-5-3-6(2)8-7(4-5)9-12(10)11-8/h3-4,9H,1-2H3/t12-/m0/s1"	CC1=CC(=C2C(=C1)N[S@@](=O)S2)C	AWECTPWLHFSJDF-LBPRGKRZSA-N
DG53776	"2-Methyl-4-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine"	367361	"NSC637000; 2-methyl-4-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine; CHEMBL1965575; NSC-637000; NCI60_012264; 4-(4-(Hydroxy(oxido)amino)phenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637000	.	.	.	.	298.4	C16H14N2O2S	83.5	413	3.8	21	0	4	1	"InChI=1S/C16H14N2O2S/c1-11-10-15(12-6-8-13(9-7-12)18(19)20)17-14-4-2-3-5-16(14)21-11/h2-9,11H,10H2,1H3"	CC1CC(=NC2=CC=CC=C2S1)C3=CC=C(C=C3)[N+](=O)[O-]	OEUXANLCGPEYQZ-UHFFFAOYSA-N
DG53777	"Methyl 3-((benzylamino)carbonyl)-2,4-dioxopentanoate"	367364	"NSC637003; Methyl 3-((benzylamino)carbonyl)-2,4-dioxopentanoate; CHEMBL1996084; NSC-637003; NCI60_012267; methyl 3-(benzylcarbamoyl)-2,4-dioxo-pentanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637003	.	.	.	.	277.27	C14H15NO5	89.5	398	0.9	20	1	5	7	"InChI=1S/C14H15NO5/c1-9(16)11(12(17)14(19)20-2)13(18)15-8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,15,18)"	CC(=O)C(C(=O)C(=O)OC)C(=O)NCC1=CC=CC=C1	IOIJZIILEHAMOE-UHFFFAOYSA-N
DG53778	"2-Methyl-5-phenyl-1,3-thiazol-4-amine"	367369	"2-Methyl-5-phenyl-1,3-thiazol-4-amine; NSC637008; CHEMBL1990178; SCHEMBL11964993; 2-methyl-5-phenyl-thiazol-4-amine; ALBB-004405; ZINC1625005; 2-Methyl-5-phenylthiazol-4-ylamine; STK503159; AKOS002160538; NSC-637008; NCI60_012272; 2-Methyl-5-phenyl-1,3-thiazol-4-ylamine; BB 0260087; 87409-79-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637008	.	.	.	.	190.27	C10H10N2S	67.2	168	2.7	13	1	3	1	"InChI=1S/C10H10N2S/c1-7-12-10(11)9(13-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3"	CC1=NC(=C(S1)C2=CC=CC=C2)N	HGQCFPLZGCHBBY-UHFFFAOYSA-N
DG53779	"2-Benzoyl-1-formyl-1,2-dihydro-1-isoquinolinecarbonitrile"	367370	"NSC637009; 2-Benzoyl-1-formyl-1,2-dihydro-1-isoquinolinecarbonitrile; CHEMBL1992905; NSC-637009; NCI60_012273; 2-benzoyl-1-formyl-isoquinoline-1-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637009	.	.	.	.	288.3	C18H12N2O2	61.2	527	2.5	22	0	3	2	"InChI=1S/C18H12N2O2/c19-12-18(13-21)16-9-5-4-6-14(16)10-11-20(18)17(22)15-7-2-1-3-8-15/h1-11,13H"	C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(C=O)C#N	YPVAZGJPRBAURR-UHFFFAOYSA-N
DG53780	"N,N'-Di{1-methyl-2-[1-methyl-2-carboxamido(3-propionamidine)-4-pyrrole]-4-pyrrolyl}succinamide dihydrochloride hydrate"	367397	"NSC637124; CHEMBL1972267; NSC-637124; N,N'-Di{1-methyl-2-[1-methyl-2-carboxamido(3-propionamidine) -4-pyrrole]-4-pyrrolyl}succinamide dihydrochloride hydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637124	.	.	.	.	781.3	C34H45ClN14O6	294	1330	.	55	11	8	17	"InChI=1S/C34H44N14O6.ClH/c1-45-17-21(13-23(45)31(51)39-9-7-27(35)36)43-33(53)25-11-19(15-47(25)3)41-29(49)5-6-30(50)42-20-12-26(48(4)16-20)34(54)44-22-14-24(46(2)18-22)32(52)40-10-8-28(37)38;/h11-18H,5-10H2,1-4H3,(H3,35,36)(H3,37,38)(H,39,51)(H,40,52)(H,41,49)(H,42,50)(H,43,53)(H,44,54);1H"	CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl	UHRVFRNRRYAFOQ-UHFFFAOYSA-N
DG53781	"(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl butanoate;iodide"	367399	NSC637125; CHEMBL2005150; NSC-637125	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637125	.	.	.	.	504.4	C23H25IN2O3	55.2	556	.	29	1	4	6	"InChI=1S/C23H24N2O3.HI/c1-5-6-21(26)28-13-25-10-9-17-15(3)23-22(14(2)19(17)12-25)18-11-16(27-4)7-8-20(18)24-23;/h7-12H,5-6,13H2,1-4H3;1H"	CCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)OC)C.[I-]	DACPJVDRGOMXKV-UHFFFAOYSA-N
DG53782	"(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl pentanoate;iodide"	367401	NSC637126; CHEMBL1979030; NSC-637126	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637126	.	.	.	.	518.4	C24H27IN2O3	55.2	570	.	30	1	4	7	"InChI=1S/C24H26N2O3.HI/c1-5-6-7-22(27)29-14-26-11-10-18-16(3)24-23(15(2)20(18)13-26)19-12-17(28-4)8-9-21(19)25-24;/h8-13H,5-7,14H2,1-4H3;1H"	CCCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)OC)C.[I-]	SKRSITQAOQRHBB-UHFFFAOYSA-N
DG53783	"(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl hexanoate;iodide"	367403	NSC637127; CHEMBL1984592; NSC-637127	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637127	.	.	.	.	532.4	C25H29IN2O3	55.2	585	.	31	1	4	8	"InChI=1S/C25H28N2O3.HI/c1-5-6-7-8-23(28)30-15-27-12-11-19-17(3)25-24(16(2)21(19)14-27)20-13-18(29-4)9-10-22(20)26-25;/h9-14H,5-8,15H2,1-4H3;1H"	CCCCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)OC)C.[I-]	SAXWMWPHBFHFIA-UHFFFAOYSA-N
DG53784	"(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl heptanoate;iodide"	367405	NSC637128; CHEMBL1980513; NSC-637128	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637128	.	.	.	.	546.4	C26H31IN2O3	55.2	599	.	32	1	4	9	"InChI=1S/C26H30N2O3.HI/c1-5-6-7-8-9-24(29)31-16-28-13-12-20-18(3)26-25(17(2)22(20)15-28)21-14-19(30-4)10-11-23(21)27-26;/h10-15H,5-9,16H2,1-4H3;1H"	CCCCCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)OC)C.[I-]	RLTLFYOPSARSSA-UHFFFAOYSA-N
DG53785	"(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl butanoate;iodide"	367407	NSC637129; CHEMBL1998674; NSC-637129	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637129	.	.	.	.	474.3	C22H23IN2O2	46	510	.	27	1	3	5	"InChI=1S/C22H22N2O2.HI/c1-4-7-20(25)26-13-24-11-10-16-15(3)22-21(14(2)18(16)12-24)17-8-5-6-9-19(17)23-22;/h5-6,8-12H,4,7,13H2,1-3H3;1H"	CCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.[I-]	MHFNPONSZNFGGV-UHFFFAOYSA-N
DG53786	"(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl pentanoate;iodide"	367409	NSC637130; CHEMBL2000424; NSC-637130	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637130	.	.	.	.	488.4	C23H25IN2O2	46	525	.	28	1	3	6	"InChI=1S/C23H24N2O2.HI/c1-4-5-10-21(26)27-14-25-12-11-17-16(3)23-22(15(2)19(17)13-25)18-8-6-7-9-20(18)24-23;/h6-9,11-13H,4-5,10,14H2,1-3H3;1H"	CCCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.[I-]	GFNLDOQDGDNRGT-UHFFFAOYSA-N
DG53787	"(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl hexanoate;iodide"	367411	NSC637131; CHEMBL1977793; NSC-637131	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637131	.	.	.	.	502.4	C24H27IN2O2	46	539	.	29	1	3	7	"InChI=1S/C24H26N2O2.HI/c1-4-5-6-11-22(27)28-15-26-13-12-18-17(3)24-23(16(2)20(18)14-26)19-9-7-8-10-21(19)25-24;/h7-10,12-14H,4-6,11,15H2,1-3H3;1H"	CCCCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.[I-]	QXVRHBROPZKZBG-UHFFFAOYSA-N
DG53788	"(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl heptanoate;iodide"	367413	NSC637132; CHEMBL2004055; NSC-637132	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637132	.	.	.	.	516.4	C25H29IN2O2	46	553	.	30	1	3	8	"InChI=1S/C25H28N2O2.HI/c1-4-5-6-7-12-23(28)29-16-27-14-13-19-18(3)25-24(17(2)21(19)15-27)20-10-8-9-11-22(20)26-25;/h8-11,13-15H,4-7,12,16H2,1-3H3;1H"	CCCCCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.[I-]	UAWZPKFEEFOKRF-UHFFFAOYSA-N
DG53789	"N',N'-bis(2-chloroethyl)-N-(2-methoxyacridin-9-yl)pentane-1,5-diamine"	367422	"NSC637140; CHEMBL1192867; N',N'-bis(2-chloroethyl)-N-(2-methoxyacridin-9-yl)pentane-1,5-diamine; 9-N-(N'-bis-chloroethyl-N-1,5-diaminopentyl)-2-methoxy acridine, dihydrochloride; NCI60_012312; N-[5-[Bis(2-chloroethyl)amino]pentyl]-2-methoxy-9-acridinamine; N~1~,N~1~-Bis(2-chloroethyl)-N~5~-(2-methoxy-9-acridinyl)-1,5-pentanediamine hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637140	.	.	.	.	434.4	C23H29Cl2N3O	37.4	450	5.8	29	1	4	12	"InChI=1S/C23H29Cl2N3O/c1-29-18-9-10-22-20(17-18)23(19-7-3-4-8-21(19)27-22)26-13-5-2-6-14-28(15-11-24)16-12-25/h3-4,7-10,17H,2,5-6,11-16H2,1H3,(H,26,27)"	COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCCCCN(CCCl)CCCl	JXENVDICRCOCRF-UHFFFAOYSA-N
DG53790	Diethyl (4-bromobenzylidene)malonate	367432	"diethyl (4-bromobenzylidene)malonate; diethyl 2-[(4-bromophenyl)methylidene]propanedioate; MLS000756785; 22399-01-5; NSC637153; SR-01000076616; SR-01000076616-3; cid_367432; SCHEMBL1673521; CHEMBL1362503; BDBM62222; DTXSID20327206; HMS2886H18; propanedioic acid, [(4-bromophenyl)methylene]-, diethyl ester; DNDI1417400; ZINC1625052; AKOS002134081; Diethyl 2-(4-bromobenzylidene)malonate; MCULE-2388705769; NSC-637153; SMR000529064; 4-Bromobenzylidenemalonic acid diethyl ester; 2-(4-bromobenzylidene)malonic acid diethyl ester; diethyl 2-[(4-bromophenyl)methylene]propanedioate; 2-(4-bromo-benzylidene)-malonic acid diethyl ester; SR-01000076616-1; 2-[(4-bromophenyl)methylidene]propanedioic acid diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637153	.	.	.	.	327.17	C14H15BrO4	52.6	323	4	19	0	4	7	"InChI=1S/C14H15BrO4/c1-3-18-13(16)12(14(17)19-4-2)9-10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3"	CCOC(=O)C(=CC1=CC=C(C=C1)Br)C(=O)OCC	AFYSUDAWCPZFEQ-UHFFFAOYSA-N
DG53791	"2-Methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine 1,1-dioxide"	367468	"NSC637200; 2-Methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine 1,1-dioxide; CHEMBL1993757; NSC-637200; NCI60_012331; 2-methyl-4-phenyl-2,3-dihydro-1$l^{6},5-benzothiazepine 1,1-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637200	.	.	.	.	285.4	C16H15NO2S	54.9	471	2.7	20	0	3	1	"InChI=1S/C16H15NO2S/c1-12-11-15(13-7-3-2-4-8-13)17-14-9-5-6-10-16(14)20(12,18)19/h2-10,12H,11H2,1H3"	CC1CC(=NC2=CC=CC=C2S1(=O)=O)C3=CC=CC=C3	KFIUEZBHTLEYEE-UHFFFAOYSA-N
DG53792	"1-(4,6-Dichloropyrimidin-2-yl)-3-(p-tolylsulfonyl)urea"	367470	"NSC637202; CHEMBL81787; ZINC1625081; NSC-637202; NCI60_012333; 1-(4,6-dichloropyrimidin-2-yl)-3-(p-tolylsulfonyl)urea; 1-(4-Methylphenylsulfonyl)-3-(4,6-dichloro-2-pyrimidinyl)urea; 4,6-Dichloro-2-(((((4-methylphenyl)sulfonyl)amino)carbonyl)amino)pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637202	.	.	.	.	361.2	C12H10Cl2N4O3S	109	481	3.5	22	2	5	3	"InChI=1S/C12H10Cl2N4O3S/c1-7-2-4-8(5-3-7)22(20,21)18-12(19)17-11-15-9(13)6-10(14)16-11/h2-6H,1H3,(H2,15,16,17,18,19)"	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)Cl	GWNWAVHATZHNBC-UHFFFAOYSA-N
DG53793	NSC637387	367561	"(3S,10S,13R,17R)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,15-diol; NSC637387; NSC-637387; NCI60_012359"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637387	.	.	.	.	440.7	C30H48O2	40.5	843	7.3	32	2	2	4	"InChI=1S/C30H48O2/c1-19(2)10-9-11-20(3)23-18-26(32)30(8)22-12-13-24-27(4,5)25(31)15-16-28(24,6)21(22)14-17-29(23,30)7/h10,12,14,20,23-26,31-32H,9,11,13,15-18H2,1-8H3/t20 ,23-,24 ,25+,26 ,28-,29-,30 /m1/s1"	CC(CCC=C(C)C)[C@H]1CC(C2([C@@]1(CC=C3C2=CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)O	CCFQLQIYEHITNK-DDZDZEIKSA-N
DG53794	NSC637399	367566	"methyl (2R,7R,12R,16R)-8-(acetyloxymethyl)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carboxylate; NSC637399; NSC-637399; NCI60_012364"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637399	.	.	.	.	446.4	C23H26O9	114	928	1.2	32	0	9	5	"InChI=1S/C23H26O9/c1-12(24)29-11-13-10-15-17(18-14(25)6-7-16(26)23(13,18)21(27)28-2)19-20(30-15)32-22(31-19)8-4-3-5-9-22/h6-7,10,13,17-20H,3-5,8-9,11H2,1-2H3/t13 ,17 ,18-,19-,20-,23+/m1/s1"	CC(=O)OCC1C=C2C([C@@H]3[C@H](O2)OC4(O3)CCCCC4)[C@@H]5[C@]1(C(=O)C=CC5=O)C(=O)OC	YNVMSYNFAFJFSE-RFXIOZLASA-N
DG53795	"3-phenyl-6-(trifluoromethyl)-N2-(3,4,5-trimethoxyphenyl)quinoxaline-2,8-diamine"	367570	"NSC637404; MLS002701671; CHEMBL1865082; ZINC5723085; NSC-637404; NCI60_012368; SMR001565270; 3-Phenyl-6-(trifluoromethyl)-N~2~-(3,4,5-trimethoxyphenyl)-2,8-quinoxalinediamine; 3-phenyl-6-(trifluoromethyl)-N2-(3,4,5-trimethoxyphenyl)quinoxaline-2,8-diamine; Quinoxaline-3, 7-(trifluoromethyl)- N(3)-(3,4,5-trimethoxyphenyl)-2-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637404	.	.	.	.	470.4	C24H21F3N4O3	91.5	637	4.9	34	2	10	6	"InChI=1S/C24H21F3N4O3/c1-32-18-11-15(12-19(33-2)22(18)34-3)29-23-20(13-7-5-4-6-8-13)30-17-10-14(24(25,26)27)9-16(28)21(17)31-23/h4-12H,28H2,1-3H3,(H,29,31)"	COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N	CPENCQLCQQLXCD-UHFFFAOYSA-N
DG53796	"N-(3,4-dichlorophenyl)-3-phenyl-6-(trifluoromethyl)quinoxalin-2-amine"	367577	"NSC637410; CHEMBL1987464; N-(3,4-dichlorophenyl)-3-phenyl-6-(trifluoromethyl)quinoxalin-2-amine; NSC-637410; NCI60_012374; 2-Quinoxalineamine,4-dichlorophenyl)-3-phenyl-6- trifluoromethyl-; N-(3,4-Dichlorophenyl)-3-phenyl-6-(trifluoromethyl)-2-quinoxalinamine; N-(3,4-Dichlorophenyl)-N-(3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637410	.	.	.	.	434.2	C21H12Cl2F3N3	37.8	544	6.9	29	1	6	3	"InChI=1S/C21H12Cl2F3N3/c22-15-8-7-14(11-16(15)23)27-20-19(12-4-2-1-3-5-12)28-18-10-13(21(24,25)26)6-9-17(18)29-20/h1-11H,(H,27,29)"	C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2NC4=CC(=C(C=C4)Cl)Cl	XKGROWNDYQUOML-UHFFFAOYSA-N
DG53797	"7-(Trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine"	367578	"NSC637411; CHEMBL1968797; 7-(Trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine; 7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine; NSC-637411; NCI60_012375; N-(7-(Trifluoromethyl)-2-quinoxalinyl)-N-(3,4,5-trimethoxyphenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637411	.	.	.	.	379.3	C18H16F3N3O3	65.5	469	3.9	27	1	9	5	"InChI=1S/C18H16F3N3O3/c1-25-14-7-11(8-15(26-2)17(14)27-3)23-16-9-22-12-5-4-10(18(19,20)21)6-13(12)24-16/h4-9H,1-3H3,(H,23,24)"	COC1=CC(=CC(=C1OC)OC)NC2=CN=C3C=CC(=CC3=N2)C(F)(F)F	BQSPXLFDCJTCES-UHFFFAOYSA-N
DG53798	N-benzyl-3-phenyl-6-(trifluoromethyl)quinoxalin-2-amine	367581	NSC637414; N-benzyl-3-phenyl-6-(trifluoromethyl)quinoxalin-2-amine; CHEMBL1992660; N-Benzyl-3-phenyl-6-(trifluoromethyl)-2-quinoxalinamine; NSC-637414; NCI60_012378; N-Benzyl-N-(3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl)amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637414	.	.	.	.	379.4	C22H16F3N3	37.8	486	5.6	28	1	6	4	"InChI=1S/C22H16F3N3/c23-22(24,25)17-11-12-18-19(13-17)27-20(16-9-5-2-6-10-16)21(28-18)26-14-15-7-3-1-4-8-15/h1-13H,14H2,(H,26,28)"	C1=CC=C(C=C1)CNC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4	XWHJJXIICIRMAC-UHFFFAOYSA-N
DG53799	"N-(3,4-Dimethoxybenzyl)-3-phenyl-6-(trifluoromethyl)-2-quinoxalinamine"	367582	"NSC637415; CHEMBL1982882; N-(3,4-Dimethoxybenzyl)-3-phenyl-6-(trifluoromethyl)-2-quinoxalinamine; NSC-637415; N-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-6-(trifluoromethyl)quinoxalin-2-amine; NCI60_012379; N-(3,4-Dimethoxybenzyl)-3-phenyl-6-(trifluoromethyl)quinoxalin-2-amine; N-(3,4-Dimethoxybenzyl)-N-(3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637415	.	.	.	.	439.4	C24H20F3N3O2	56.3	587	5.5	32	1	8	6	"InChI=1S/C24H20F3N3O2/c1-31-20-11-8-15(12-21(20)32-2)14-28-23-22(16-6-4-3-5-7-16)29-19-13-17(24(25,26)27)9-10-18(19)30-23/h3-13H,14H2,1-2H3,(H,28,30)"	COC1=C(C=C(C=C1)CNC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4)OC	FXIBESCKPNGQDQ-UHFFFAOYSA-N
DG53800	"2-(2,4-Dichlorobenzyl)-3,5,6-trimethyl-2H-indazole-7-carbonitrile"	367590	"NSC637422; 2-(2,4-Dichlorobenzyl)-3,5,6-trimethyl-2H-indazole-7-carbonitrile; CHEMBL1971735; ZINC1625175; NSC-637422; NCI60_012386; 2-[(2,4-dichlorophenyl)methyl]-3,5,6-trimethyl-indazole-7-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637422	.	.	.	.	344.2	C18H15Cl2N3	41.6	476	5.3	23	0	2	2	"InChI=1S/C18H15Cl2N3/c1-10-6-15-12(3)23(22-18(15)16(8-21)11(10)2)9-13-4-5-14(19)7-17(13)20/h4-7H,9H2,1-3H3"	CC1=CC2=C(N(N=C2C(=C1C)C#N)CC3=C(C=C(C=C3)Cl)Cl)C	MZZVYCIUYSJEMS-UHFFFAOYSA-N
DG53801	"N-(2-tert-Butyl-6-methylphenyl)-2-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyanoacetamide"	367604	"NSC637436; CHEMBL1992448; NSC-637436; N-(2-tert-Butyl-6-methylphenyl)-2-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyanoacetamide; NCI60_012400; N-(2-tert-butyl-6-methyl-phenyl)-2-(3-chloro-1,4-dioxo-2-naphthyl)-2-cyano-acetamide; Naphthalene-1, 2-chloro-3-[1-cyano-2-oxo-2- [[[6-(1,1-dimethylethyl)-2-methyl]phenyl]amino]ethyl]- 1,4-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637436	.	.	.	.	420.9	C24H21ClN2O3	87	816	5.6	30	1	4	4	"InChI=1S/C24H21ClN2O3/c1-13-8-7-11-17(24(2,3)4)20(13)27-23(30)16(12-26)18-19(25)22(29)15-10-6-5-9-14(15)21(18)28/h5-11,16H,1-4H3,(H,27,30)"	CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(C#N)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl	PKRKSUCAMNAULJ-UHFFFAOYSA-N
DG53802	"2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-phenylacetamide"	367615	"NSC637447; CHEMBL1993967; 2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-phenylacetamide; NSC-637447; NCI60_012411; 2-(3-chloro-1,4-dioxo-2-naphthyl)-2-cyano-N-phenyl-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637447	.	.	.	.	350.8	C19H11ClN2O3	87	669	3.6	25	1	4	3	"InChI=1S/C19H11ClN2O3/c20-16-15(17(23)12-8-4-5-9-13(12)18(16)24)14(10-21)19(25)22-11-6-2-1-3-7-11/h1-9,14H,(H,22,25)"	C1=CC=C(C=C1)NC(=O)C(C#N)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl	WJXMCGGGLJDFDA-UHFFFAOYSA-N
DG53803	Macrocalyxoformin B (Rabdosia diterpenoids)	367617	Macrocalyxoformin B (Rabdosia diterpenoids); NSC637459; NSC-637459; NCI60_012413	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637459	.	.	.	.	344.4	C20H24O5	61.8	730	2.6	25	0	5	0	"InChI=1S/C20H24O5/c1-10-11-3-4-12-19(7-11,15(10)21)17(22)25-13-5-6-18(2)8-23-16-14(18)20(12,13)9-24-16/h11-14,16H,1,3-9H2,2H3/t11 ,12 ,13-,14 ,16-,18 ,19 ,20 /m0/s1"	CC12CC[C@H]3C4(C1[C@@H](OC2)OC4)C5CCC6CC5(C(=O)C6=C)C(=O)O3	QRZAIOQXVJRCBS-WRUDONHLSA-N
DG53804	Excisanin B	367618	"Excisanin B; [(16R)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-12-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate; 78536-36-4; NSC637460; AKOS032948626; NSC-637460; NCI60_012414"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637460	.	.	.	.	392.5	C22H32O6	104	743	1.5	28	3	6	2	"InChI=1S/C22H32O6/c1-10-17-12(28-11(2)23)8-14-21(5)13(20(3,4)7-6-15(21)24)9-16(25)22(14,18(10)26)19(17)27/h12-17,19,24-25,27H,1,6-9H2,2-5H3/t12 ,13 ,14 ,15 ,16 ,17 ,19-,21 ,22 /m1/s1"	CC(=O)OC1CC2C3(C(CCC(C3CC(C24[C@@H](C1C(=C)C4=O)O)O)(C)C)O)C	VAAUVQKKXHANPM-SASCPTOWSA-N
DG53805	Jiuhuanin B	367619	Jiuhuanin B; NSC637461; NSC-637461; NCI60_012415	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637461	.	.	.	.	518.6	C28H38O9	122	1060	3.2	37	0	9	8	"InChI=1S/C28H38O9/c1-13-23-18(34-14(2)29)11-20-27(8)19(26(6,7)10-9-21(27)35-15(3)30)12-22(36-16(4)31)28(20,24(13)33)25(23)37-17(5)32/h18-23,25H,1,9-12H2,2-8H3/t18 ,19 ,20 ,21 ,22-,23 ,25-,27 ,28 /m0/s1"	CC(=O)O[C@H]1CC2C(CCC(C2(C3C14[C@H](C(C(C3)OC(=O)C)C(=C)C4=O)OC(=O)C)C)OC(=O)C)(C)C	PHWSRBJBPGOZRJ-FRFALCNYSA-N
DG53806	"(9R,10S)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-ene-7,15-dione"	367620	NSC637462; NSC-637462; NCI60_012416	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637462	.	.	.	.	344.4	C20H24O5	83.8	766	1.1	25	2	5	0	"InChI=1S/C20H24O5/c1-10-11-4-5-12-18-9-25-20(24,19(12,8-11)15(10)22)16(23)14(18)17(2,3)7-6-13(18)21/h6-7,11-12,14,16,23-24H,1,4-5,8-9H2,2-3H3/t11 ,12 ,14 ,16-,18 ,19 ,20-/m0/s1"	CC1(C=CC(=O)C23C1[C@@H]([C@@](C45C2CCC(C4)C(=C)C5=O)(OC3)O)O)C	RTIKCEKESDRWAE-OADCIBGSSA-N
DG53807	Polycarpine hydrochloride	367621	"NSC637467; 175669-17-7; Polycarpine hydrochloride; Disulfide, dihydrochloride; CHEMBL1977609; DTXSID20327226; NSC-637467; 4,4'-Dithiobis[5-(4-methoxyphenyl)-3-methyl-1,3-dihydro-2H-imidazol-2-imine] hydrochloride; 4-[[2-imino-5-(4-methoxyphenyl)-3-methyl-1H-imidazol-4-yl]disulfanyl]-5-(4-methoxyphenyl)-3-methyl-1H-imidazol-2-imine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637467	.	.	.	.	505.1	C22H25ClN6O2S2	157	541	.	33	3	8	7	"InChI=1S/C22H24N6O2S2.ClH/c1-27-19(17(25-21(27)23)13-5-9-15(29-3)10-6-13)31-32-20-18(26-22(24)28(20)2)14-7-11-16(30-4)12-8-14;/h5-12H,1-4H3,(H2,23,25)(H2,24,26);1H"	CN1C(=C(N=C1N)C2=CC=C(C=C2)OC)SSC3=C(N=C(N3C)N)C4=CC=C(C=C4)OC.Cl	RCGKFYXICZRWQU-UHFFFAOYSA-N
DG53808	NSC637505	367630	"2-[2-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxo-pyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxo-pyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]carbamate; NSC637505; CHEMBL1978978; ZINC195418614; NSC-637505; NCI60_012420; 2-[2-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxo-pyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxo-pyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]carbamate; Carbamic acid, [(7,16-dioxo-6,17-dioxa-3,20-dithia-8,15-diazadocosane-1,22-diyl)bis[(3,4-dihydro-3-methyl-2,4-dioxo-1,5(2H)-pyrimidinediyl)carbonyl]]bis-, diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637505	.	.	.	.	858.9	C34H50N8O14S2	319	1480	1.9	58	4	16	27	"InChI=1S/C34H50N8O14S2/c1-5-53-31(49)37-25(43)23-21-41(33(51)39(3)27(23)45)13-17-57-19-15-55-29(47)35-11-9-7-8-10-12-36-30(48)56-16-20-58-18-14-42-22-24(28(46)40(4)34(42)52)26(44)38-32(50)54-6-2/h21-22H,5-20H2,1-4H3,(H,35,47)(H,36,48)(H,37,43,49)(H,38,44,50)"	CCOC(=O)NC(=O)C1=CN(C(=O)N(C1=O)C)CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCN2C=C(C(=O)N(C2=O)C)C(=O)NC(=O)OCC	ZHYXJJHAKPJNTQ-UHFFFAOYSA-N
DG53809	"4-(1,3-Benzodioxol-5-yl)-N~3~,N~5~-bis(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide"	367683	"NSC637614; CHEMBL2002464; ZINC73352567; NSC-637614; NCI60_012476; 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-N3,N5-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide; 4-(1,3-Benzodioxol-5-yl)-N~3~,N~5~-bis(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637614	.	.	.	.	557.5	C28H23N5O8	180	1040	4	41	3	9	5	"InChI=1S/C28H23N5O8/c1-15-24(27(34)30-18-4-8-20(9-5-18)32(36)37)26(17-3-12-22-23(13-17)41-14-40-22)25(16(2)29-15)28(35)31-19-6-10-21(11-7-19)33(38)39/h3-13,26,29H,14H2,1-2H3,(H,30,34)(H,31,35)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=C(C=C5)[N+](=O)[O-]	AQIIQIGWKQCXPC-UHFFFAOYSA-N
DG53810	"N-(2,4-Dimethylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	367690	"N-(2,4-Dimethylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide; NSC637621; 300559-65-3; N-(2,4-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide; Cambridge id 5757267; Oprea1_025736; Oprea1_582529; CHEMBL1448252; HMS1797P10; STK988475; AKOS000532256; AKOS016193673; MCULE-6472595115; NSC-637621; NCGC00098937-01; NCI60_012483; AB00095956-01; SR-01000467298; SR-01000467298-1; Z31269279; F1065-0318; N-(2,4-dimethylphenyl)-2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637621	.	.	.	.	326.4	C18H18N2O2S	83.5	456	3	23	2	3	3	"InChI=1S/C18H18N2O2S/c1-11-7-8-13(12(2)9-11)19-17(21)10-16-18(22)20-14-5-3-4-6-15(14)23-16/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22)"	CC1=CC(=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2)C	JAZXGMOMEKJNCY-UHFFFAOYSA-N
DG53811	"N3,N5-bis(3,4-dichlorophenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	367696	"NSC637627; CHEMBL1997782; ZINC73389457; AKOS024423142; MCULE-6918141025; NSC-637627; NCI60_012489; N(3),N(5)-BIS(3,4-DICHLOROPHENYL)-2,6-DIMETHYL-4-(4-NITROPHENYL)-1,4-DIHYDRO-3,5-PYRIDINEDICARBOXAMIDE; N~3~,N~5~-Bis(3,4-dichlorophenyl)-4-(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide; N3,N5-bis(3,4-dichlorophenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637627	.	.	.	.	606.3	C27H20Cl4N4O4	116	962	6.9	39	3	5	5	"InChI=1S/C27H20Cl4N4O4/c1-13-23(26(36)33-16-5-9-19(28)21(30)11-16)25(15-3-7-18(8-4-15)35(38)39)24(14(2)32-13)27(37)34-17-6-10-20(29)22(31)12-17/h3-12,25,32H,1-2H3,(H,33,36)(H,34,37)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC(=C(C=C4)Cl)Cl	CNRLMLZDFSCNFE-UHFFFAOYSA-N
DG53812	"N3,N5-bis(3-chlorophenyl)-4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide"	367697	"NSC637628; CHEMBL1999902; ZINC31830087; NSC-637628; NCI60_012490; N~3~,N~5~-Bis(3-chlorophenyl)-4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide; N3,N5-bis(3-chlorophenyl)-4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637628	.	.	.	.	510.4	C27H22Cl2FN3O2	70.2	819	5.9	35	3	4	5	"InChI=1S/C27H22Cl2FN3O2/c1-15-23(26(34)32-19-9-5-7-17(28)13-19)25(21-11-3-4-12-22(21)30)24(16(2)31-15)27(35)33-20-10-6-8-18(29)14-20/h3-14,25,31H,1-2H3,(H,32,34)(H,33,35)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3F)C(=O)NC4=CC(=CC=C4)Cl	XOLLDCSYYGTANO-UHFFFAOYSA-N
DG53813	"4-(4-(Dimethylamino)phenyl)-2,6-dimethyl-N~3~,N~5~-bis(2,4,5-trifluorophenyl)-1,4-dihydro-3,5-pyridinedicarboxamide"	367700	"NSC637631; CHEMBL1998049; ZINC73404676; NSC-637631; NCI60_012493; 4-(4-(Dimethylamino)phenyl)-2,6-dimethyl-N~3~,N~5~-bis(2,4,5-trifluorophenyl)-1,4-dihydro-3,5-pyridinedicarboxamide; 4-(4-dimethylaminophenyl)-2,6-dimethyl-N3,N5-bis(2,4,5-trifluorophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637631	.	.	.	.	574.5	C29H24F6N4O2	73.5	980	5.2	41	3	10	6	"InChI=1S/C29H24F6N4O2/c1-13-25(28(40)37-23-11-19(32)17(30)9-21(23)34)27(15-5-7-16(8-6-15)39(3)4)26(14(2)36-13)29(41)38-24-12-20(33)18(31)10-22(24)35/h5-12,27,36H,1-4H3,(H,37,40)(H,38,41)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2F)F)F)C3=CC=C(C=C3)N(C)C)C(=O)NC4=CC(=C(C=C4F)F)F	KGXJZNVDCXDZKA-UHFFFAOYSA-N
DG53814	"N3,N5-bis(2-ethyl-6-methyl-phenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	367701	"NSC637632; CHEMBL1965326; ZINC73293933; NSC-637632; NCI60_012494; N~3~,N~5~-Bis(2-ethyl-6-methylphenyl)-4-(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide; N3,N5-bis(2-ethyl-6-methyl-phenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637632	.	.	.	.	552.7	C33H36N4O4	116	974	6.7	41	3	5	7	"InChI=1S/C33H36N4O4/c1-7-23-13-9-11-19(3)30(23)35-32(38)27-21(5)34-22(6)28(29(27)25-15-17-26(18-16-25)37(40)41)33(39)36-31-20(4)12-10-14-24(31)8-2/h9-18,29,34H,7-8H2,1-6H3,(H,35,38)(H,36,39)"	CCC1=CC=CC(=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=C(C=CC=C4CC)C)C)C)C	OUPPURRNWKTNLT-UHFFFAOYSA-N
DG53815	"N3,N5-bis(2-ethoxyphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	367702	"NSC637633; CHEMBL1985749; ZINC73316138; NSC-637633; NCI60_012495; N~3~,N~5~-Bis(2-ethoxyphenyl)-4-(3-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide; N3,N5-bis(2-ethoxyphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637633	.	.	.	.	556.6	C31H32N4O6	135	959	5	41	3	7	9	"InChI=1S/C31H32N4O6/c1-5-40-25-16-9-7-14-23(25)33-30(36)27-19(3)32-20(4)28(29(27)21-12-11-13-22(18-21)35(38)39)31(37)34-24-15-8-10-17-26(24)41-6-2/h7-18,29,32H,5-6H2,1-4H3,(H,33,36)(H,34,37)"	CCOC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4OCC)C)C	ZNAXNOLCHXPUNU-UHFFFAOYSA-N
DG53816	"9-Methoxy-2-methyl-1,2-dihydroellipticine"	367719	"NSC637651; Neuro_000287; CHEMBL70108; SCHEMBL9239840; NSC-637651; NCI60_012504; 9-Methoxy-2-methyl-1,2-dihydroellipticine; 6H-Pyrido[4, 1,2-dihydro-9-methoxy- 2,5,11-trimethyl-; 1,2-Dihydro-9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637651	.	.	.	.	292.4	C19H20N2O	28.3	451	4.3	22	1	2	1	"InChI=1S/C19H20N2O/c1-11-16-10-21(3)8-7-14(16)12(2)19-18(11)15-9-13(22-4)5-6-17(15)20-19/h5-9,20H,10H2,1-4H3"	CC1=C2CN(C=CC2=C(C3=C1C4=C(N3)C=CC(=C4)OC)C)C	QRFYBUZRQYAXAV-UHFFFAOYSA-N
DG53817	Nickel meso formyl etioporphyrin	367720	NSC637652; Nickel meso formyl etioporphyrin; NSC-637652	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637652	.	.	.	.	563.4	C33H36N4NiO	43.8	1380	.	39	0	5	5	"InChI=1S/C33H37N4O.Ni/c1-9-21-18(6)27-14-31-23(11-3)20(8)32(37-31)25(16-38)33-24(12-4)19(7)28(36-33)15-30-22(10-2)17(5)26(34-30)13-29(21)35-27;/h13-16H,9-12H2,1-8H3,(H-,34,35,36,37,38);/q-1;+2/p-1"	CCC1=C(C2=CC3=NC(=C(C4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CC)C)CC)C=O)C(=C3CC)C)C.[Ni+2]	FHZDKESAVYRBDN-UHFFFAOYSA-M
DG53818	"2-(4-Chloroanilino)-N-(1,4-dihydroxy-5-phthalazinyl)-4-methyl-1,3-thiazole-5-carboxamide"	367736	"NSC637675; CHEMBL1980649; ZINC8653327; NSC-637675; 2-(4-Chloroanilino)-N-(1,4-dihydroxy-5-phthalazinyl)-4-methyl-1,3-thiazole-5-carboxamide; NCI60_012521; 2-(4-chloroanilino)-N-(1,4-dihydroxyphthalazin-5-yl)-4-methyl-thiazole-5-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637675	.	.	.	.	427.9	C19H14ClN5O3S	141	660	4.1	29	4	6	4	"InChI=1S/C19H14ClN5O3S/c1-9-15(29-19(21-9)22-11-7-5-10(20)6-8-11)18(28)23-13-4-2-3-12-14(13)17(27)25-24-16(12)26/h2-8H,1H3,(H,21,22)(H,23,28)(H,24,26)(H,25,27)"	CC1=C(SC(=N1)NC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC4=C3C(=O)NNC4=O	LZDPIGUMKFXQTJ-UHFFFAOYSA-N
DG53819	"N~3~,N~5~-Bis(4-ethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide"	367742	"NSC637681; N~3~,N~5~-Bis(4-ethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide; CHEMBL1988623; ZINC634377; AKOS024423284; MCULE-8640443647; NSC-637681; NCI60_012527; N3,N5-bis(4-ethoxyphenyl)-4-(4-hydroxy-3-methoxy-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637681	.	.	.	.	557.6	C32H35N3O6	118	903	4.8	41	4	7	10	"InChI=1S/C32H35N3O6/c1-6-40-24-13-9-22(10-14-24)34-31(37)28-19(3)33-20(4)29(30(28)21-8-17-26(36)27(18-21)39-5)32(38)35-23-11-15-25(16-12-23)41-7-2/h8-18,30,33,36H,6-7H2,1-5H3,(H,34,37)(H,35,38)"	CCOC1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC=C(C=C4)OCC)C)C	QVJFTCJKUZPSNQ-UHFFFAOYSA-N
DG53820	"4-(3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-N-(o-tolyl)-2,4-dioxo-butanamide"	367752	"NSC637691; CHEMBL1993332; ZINC102964575; NSC-637691; NCI60_012537; 4-(3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-N-(o-tolyl)-2,4-dioxo-butanamide; 4-(1,4-Dihydroxy-3-methyl-1.lambda.~5~,4.lambda.~5~-quinoxalin-2-yl)-N-(2-methylphenyl)-2,4-dioxobutanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637691	.	.	.	.	379.4	C20H17N3O5	110	717	1.5	28	1	6	5	"InChI=1S/C20H17N3O5/c1-12-7-3-4-8-14(12)21-20(26)18(25)11-17(24)19-13(2)22(27)15-9-5-6-10-16(15)23(19)28/h3-10H,11H2,1-2H3,(H,21,26)"	CC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C	ZHRXTRYEPZZNGQ-UHFFFAOYSA-N
DG53821	"Ethyl 2-[2-(4,9-dioxobenzo[f][1,3]benzothiazol-2-yl)hydrazino]-2-oxo-acetate"	367754	"NSC637693; CHEMBL1974080; NSC-637693; NCI60_012539; Ethanedioic acid,9-dihydro-4,9-dioxonaphtho[2,3-d]thiazol-2-yl)hydrazide, monoethyl ester; ethyl 2-[2-(4,9-dioxobenzo[f][1,3]benzothiazol-2-yl)hydrazino]-2-oxo-acetate; Oxalic acid,9-dihydro-4,9-dioxonaphtho[2,3-d] thiazol-2-yl)hydrazide, monoethyl ester; Ethanedioic acid, monoethyl ester, 2-(4,9-dihydro-4,9-dioxonaphtho[2,3-d]thiazol-2-yl)hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637693	.	.	.	.	345.3	C15H11N3O5S	150	531	3.5	24	2	8	4	"InChI=1S/C15H11N3O5S/c1-2-23-14(22)13(21)17-18-15-16-9-10(19)7-5-3-4-6-8(7)11(20)12(9)24-15/h3-6,19-20H,2H2,1H3"	CCOC(=O)C(=O)N=NC1=NC2=C(C3=CC=CC=C3C(=C2S1)O)O	CRHIGZKUBIPEJP-UHFFFAOYSA-N
DG53822	"4-(1,3-Benzodioxol-5-yl)-N~3~,N~5~-bis(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide"	367763	"NSC637702; CHEMBL1968140; ZINC73310435; NSC-637702; NCI60_012548; 4-(1,3-Benzodioxol-5-yl)-N~3~,N~5~-bis(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide; 4-(1,3-benzodioxol-5-yl)-N3,N5-bis(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637702	.	.	.	.	555.6	C32H33N3O6	107	949	5	41	3	7	9	"InChI=1S/C32H33N3O6/c1-5-38-24-13-9-7-11-22(24)34-31(36)28-19(3)33-20(4)29(30(28)21-15-16-26-27(17-21)41-18-40-26)32(37)35-23-12-8-10-14-25(23)39-6-2/h7-17,30,33H,5-6,18H2,1-4H3,(H,34,36)(H,35,37)"	CCOC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=C5OCC)C)C	YHRFWPISEBHJLT-UHFFFAOYSA-N
DG53823	"2,6-dimethyl-4-(3-nitrophenyl)-N3,N5-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	367764	"NSC637703; CHEMBL1986655; NSC-637703; NCI60_012549; 2,6-dimethyl-4-(3-nitrophenyl)-N3,N5-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide; 4-(3-(Hydroxy(oxido)amino)phenyl)-N~3~,N~5~-bis(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637703	.	.	.	.	558.5	C27H22N6O8	208	1050	4.1	41	3	9	5	"InChI=1S/C27H22N6O8/c1-15-23(26(34)29-18-6-10-20(11-7-18)31(36)37)25(17-4-3-5-22(14-17)33(40)41)24(16(2)28-15)27(35)30-19-8-12-21(13-9-19)32(38)39/h3-14,25,28H,1-2H3,(H,29,34)(H,30,35)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]	DOZNTYBHQGVLNT-UHFFFAOYSA-N
DG53824	"4-(4-dimethylaminophenyl)-2,6-dimethyl-N3,N5-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	367767	"NSC637706; 4-(4-dimethylaminophenyl)-2,6-dimethyl-N3,N5-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide; CHEMBL144426; ZINC27552341; NSC-637706; NCI60_012552; {4-[4-(Dimethylamino)phenyl]-2,6-dimethyl-5-[N-(4-nitrophenyl)carbamoyl](3-1,4-dihydropyridyl)}-N-(4-nitrophenyl)carboxamide; 4-(4-(Dimethylamino)phenyl)-N~3~,N~5~-bis(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide; 4-[4-(Dimethylamino)phenyl]-2,6-dimethyl-N,N'-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637706	.	.	.	.	556.6	C29H28N6O6	165	998	4.3	41	3	8	6	"InChI=1S/C29H28N6O6/c1-17-25(28(36)31-20-7-13-23(14-8-20)34(38)39)27(19-5-11-22(12-6-19)33(3)4)26(18(2)30-17)29(37)32-21-9-15-24(16-10-21)35(40)41/h5-16,27,30H,1-4H3,(H,31,36)(H,32,37)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)N(C)C)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]	QUPDMAHOIOFEBV-UHFFFAOYSA-N
DG53825	"4-(4-Hydroxy-3-methoxyphenyl)-2,6-dimethyl-N~3~,N~5~-bis(2,4,5-trifluorophenyl)-1,4-dihydro-3,5-pyridinedicarboxamide"	367774	"NSC637713; 4-(4-Hydroxy-3-methoxyphenyl)-2,6-dimethyl-N~3~,N~5~-bis(2,4,5-trifluorophenyl)-1,4-dihydro-3,5-pyridinedicarboxamide; CHEMBL1979868; ZINC73257997; AKOS024423252; MCULE-8564768590; NSC-637713; NCI60_012559; 4-(4-hydroxy-3-methoxy-phenyl)-2,6-dimethyl-N3,N5-bis(2,4,5-trifluorophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637713	.	.	.	.	577.5	C28H21F6N3O4	99.7	994	4.7	41	4	11	6	"InChI=1S/C28H21F6N3O4/c1-11-24(27(39)36-20-9-16(31)14(29)7-18(20)33)26(13-4-5-22(38)23(6-13)41-3)25(12(2)35-11)28(40)37-21-10-17(32)15(30)8-19(21)34/h4-10,26,35,38H,1-3H3,(H,36,39)(H,37,40)"	CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2F)F)F)C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC(=C(C=C4F)F)F	IHKHJUBUDCKBIR-UHFFFAOYSA-N
DG53826	"4-(1,3-Benzodioxol-5-yl)-N~3~,N~5~-bis(2,6-dimethylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide"	367776	"NSC637715; CHEMBL2007475; NSC-637715; NCI60_012561; 4-(1,3-Benzodioxol-5-yl)-N~3~,N~5~-bis(2,6-dimethylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide; 4-(1,3-benzodioxol-5-yl)-N3,N5-bis(2,6-dimethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637715	.	.	.	.	523.6	C32H33N3O4	88.7	923	5.8	39	3	5	5	"InChI=1S/C32H33N3O4/c1-17-9-7-10-18(2)29(17)34-31(36)26-21(5)33-22(6)27(32(37)35-30-19(3)11-8-12-20(30)4)28(26)23-13-14-24-25(15-23)39-16-38-24/h7-15,28,33H,16H2,1-6H3,(H,34,36)(H,35,37)"	CC1=C(C(=CC=C1)C)NC(=O)C2=C(NC(=C(C2C3=CC4=C(C=C3)OCO4)C(=O)NC5=C(C=CC=C5C)C)C)C	ACLQWAPBMCOWMS-UHFFFAOYSA-N
DG53827	"4-(2,3-Dihydro-1H-inden-4-yl)-2-methyl-4,5-dihydro-3H-anthra[1,2-b][1,4]diazepine-8,13-dione"	367780	"NSC637719; 4-(2,3-Dihydro-1H-inden-4-yl)-2-methyl-4,5-dihydro-3H-anthra[1,2-b][1,4]diazepine-8,13-dione; CHEMBL2007566; NSC-637719; NCI60_012565; 4-indan-4-yl-2-methyl-4,5-dihydro-3H-naphtho[3,2-g][1,5]benzodiazepine-8,13-dione; 3H-Anthra[1,4]diazepine-8,13-dione, 3,4-dihydro- 4-(2,3-dihydro-1H-inden-4-yl)-2-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637719	.	.	.	.	406.5	C27H22N2O2	58.5	775	4.7	31	1	4	1	"InChI=1S/C27H22N2O2/c1-15-14-23(18-11-5-7-16-6-4-10-17(16)18)29-22-13-12-21-24(25(22)28-15)27(31)20-9-3-2-8-19(20)26(21)30/h2-3,5,7-9,11-13,23,29H,4,6,10,14H2,1H3"	CC1=NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC(C1)C5=CC=CC6=C5CCC6	YGUDWHLZWPTIDY-UHFFFAOYSA-N
DG53828	"4-(2-Benzoylanilino)-1,2-naphthalenedione"	367785	"4-(2-Benzoylanilino)-1,2-naphthalenedione; NSC637726; 4-(2-benzoylanilino)naphthalene-1,2-dione; 883834-43-3; CHEMBL1981158; DTXSID601008116; ZINC1625326; AKOS024426521; MCULE-6719726151; NSC-637726; NCI60_012570"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637726	.	.	.	.	353.4	C23H15NO3	63.2	632	4.6	27	1	4	4	"InChI=1S/C23H15NO3/c25-21-14-20(16-10-4-5-11-17(16)23(21)27)24-19-13-7-6-12-18(19)22(26)15-8-2-1-3-9-15/h1-14,24H"	C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC3=CC(=O)C(=O)C4=CC=CC=C43	RGLSDDNPRPVLMO-UHFFFAOYSA-N
DG53829	"4-(2,6-Diethylanilino)-1,2-naphthalenedione"	367786	"NSC637728; 4-(2,6-Diethylanilino)-1,2-naphthalenedione; 4-(2,6-diethylanilino)naphthalene-1,2-dione; CHEMBL1979362; ZINC1625327; NSC-637728; NCI60_012571"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637728	.	.	.	.	305.4	C20H19NO2	46.2	484	4.3	23	1	3	4	"InChI=1S/C20H19NO2/c1-3-13-8-7-9-14(4-2)19(13)21-17-12-18(22)20(23)16-11-6-5-10-15(16)17/h5-12,21H,3-4H2,1-2H3"	CCC1=C(C(=CC=C1)CC)NC2=CC(=O)C(=O)C3=CC=CC=C32	YCSOPLIBDXTWNT-UHFFFAOYSA-N
DG53830	"4-(Pyridin-3-ylamino)naphthalene-1,2-dione"	367787	"NSC637729; MLS002701674; SMR001565273; 4-(pyridin-3-ylamino)naphthalene-1,2-dione; NCIMech_000507; cid_367787; CHEMBL1725485; BDBM114198; CCG-35713; ZINC13222240; NSC-637729; 4-(3-pyridylamino)-1,2-naphthoquinone; 4-(3-pyridylamino)naphthalene-1,2-dione; NCI60_012572; 4-(3-Pyridinylamino)-1,2-naphthalenedione; 4-(3-pyridinylamino)naphthalene-1,2-dione; SR-01000879586; SR-01000879586-2; Naphthalene-1, 1,2-dihydro-4-[(3-pyridinyl)amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637729	.	.	.	.	250.25	C15H10N2O2	59.1	416	1.7	19	1	4	2	"InChI=1S/C15H10N2O2/c18-14-8-13(17-10-4-3-7-16-9-10)11-5-1-2-6-12(11)15(14)19/h1-9,17H"	C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CN=CC=C3	HZFXWCMVFFTFJE-UHFFFAOYSA-N
DG53831	"4-(Phenethylamino)naphthalene-1,2-dione"	367789	"NSC637731; CHEMBL1966084; 4-(phenethylamino)naphthalene-1,2-dione; NCIMech_000387; BDBM50133341; CCG-35710; ZINC102949042; NSC-637731; NCI60_012574; Naphthalene-1, 1,2-dihydro- 4-[(2-phenylethyl)amino]-; Naphthalene-1,2-dione, 1,2-dihydro- 4-[(2-phenylethyl)amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637731	.	.	.	.	277.3	C18H15NO2	46.2	435	3.1	21	1	3	4	"InChI=1S/C18H15NO2/c20-17-12-16(14-8-4-5-9-15(14)18(17)21)19-11-10-13-6-2-1-3-7-13/h1-9,12,19H,10-11H2"	C1=CC=C(C=C1)CCNC2=CC(=O)C(=O)C3=CC=CC=C32	CWFAFDYCTDBGBE-UHFFFAOYSA-N
DG53832	"4-(4-Ethoxyanilino)-1,2-naphthalenedione"	367790	"MLS002701676; 4-(4-Ethoxyanilino)-1,2-naphthalenedione; 75140-06-6; NSC637732; 4-(4-ethoxyanilino)naphthalene-1,2-dione; SMR001224038; 4-[(4-ethoxyphenyl)amino]naphthalene-1,2-dione; 4-((4-Ethoxyphenyl)amino)naphthalene-1,2-dione; NSC 637732; 1,2-Naphthalenedione, 4-((4-ethoxyphenyl)amino)-; cid_367790; CHEMBL1711166; DTXSID10226113; BDBM114199; 1, 4-[(4-ethoxyphenyl)amino]-; ZINC12411693; AKOS003599347; ZINC102836305; 4-(p-phenetidino)-1,2-naphthoquinone; MCULE-9959616153; NSC-637732; NCI60_012575; SR-01000879418; SR-01000879418-2; 1,2-Naphthalenedione, {4-[(4-ethoxyphenyl)amino]-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637732	.	.	.	.	293.3	C18H15NO3	55.4	463	3.1	22	1	4	4	"InChI=1S/C18H15NO3/c1-2-22-13-9-7-12(8-10-13)19-16-11-17(20)18(21)15-6-4-3-5-14(15)16/h3-11,19H,2H2,1H3"	CCOC1=CC=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32	DDFJWWONBPVCPM-UHFFFAOYSA-N
DG53833	"Bis(1-phenylbutane-1,3-dionato)bis(thiophene-2-methanolato) titanium(IV)"	367795	"NSC637801; NSC-637801; Bis(1-phenylbutane-1,3-dionato)bis(thiophene-2-methanolato) titanium(IV)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637801	.	.	.	.	596.5	C30H28O6S2Ti	171	635	.	39	0	10	6	"InChI=1S/2C10H9O2.2C5H5OS.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*6-4-5-2-1-3-7-5;/h2*2-7H,1H3;2*1-3H,4H2;/q4*-1;+4"	CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CSC(=C1)C[O-].C1=CSC(=C1)C[O-].[Ti+4]	VZSGIXUJWGRSQL-UHFFFAOYSA-N
DG53834	"[1,2,5]Triazepino[3,4,5-jk]carbazole, 1,2,3,5,6,7-hexahydro-9-methoxy-"	367836	"NSC637911; [1,2,5]Triazepino[3,4,5-jk]carbazole, 1,2,3,5,6,7-hexahydro-9-methoxy-; CHEMBL1981691; ZINC5550320; NSC-637911; NCI60_012629"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637911	.	.	.	.	255.31	C15H17N3O	38.6	384	2.5	19	1	3	1	"InChI=1S/C15H17N3O/c1-19-10-5-6-14-12(9-10)11-3-2-4-13-15(11)18(14)8-7-16-17-13/h5-6,9,16H,2-4,7-8H2,1H3"	COC1=CC2=C(C=C1)N3CCNN=C4C3=C2CCC4	DNYDAJTZRILLJB-UHFFFAOYSA-N
DG53835	"N-(4-chlorophenyl)-3-[3,5-diphenyl-4-[(E)-p-tolylazo]pyrazol-1-yl]-3-oxo-propanamide"	367845	"NSC637920; CHEMBL1976452; ZINC5723339; ZINC104288628; NSC-637920; NCI60_012638; N-(4-chlorophenyl)-3-[3,5-diphenyl-4-[(E)-p-tolylazo]pyrazol-1-yl]-3-oxo-propanamide; N-(4-Chlorophenyl)-3-(4-((4-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637920	.	.	.	.	534	C31H24ClN5O2	88.7	827	7.8	39	1	5	7	"InChI=1S/C31H24ClN5O2/c1-21-12-16-26(17-13-21)34-35-30-29(22-8-4-2-5-9-22)36-37(31(30)23-10-6-3-7-11-23)28(39)20-27(38)33-25-18-14-24(32)15-19-25/h2-19H,20H2,1H3,(H,33,38)"	CC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5	INWATODZILKANX-UHFFFAOYSA-N
DG53836	"3-[3,5-diphenyl-4-[(E)-p-tolylazo]pyrazol-1-yl]-N-(4-methoxyphenyl)-3-oxo-propanamide"	367846	"NSC637921; CHEMBL1985174; ZINC5723340; ZINC104288635; NSC-637921; NCI60_012639; 3-[3,5-diphenyl-4-[(E)-p-tolylazo]pyrazol-1-yl]-N-(4-methoxyphenyl)-3-oxo-propanamide; 1H-Pyrazole-1-propanamide,5-diphenyl- N-(4-methoxyphenyl)-4-[(4-methylphenyl)azo]-.beta.-oxo-; N-(4-Methoxyphenyl)-3-(4-((4-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637921	.	.	.	.	529.6	C32H27N5O3	97.9	840	7.1	40	1	6	8	"InChI=1S/C32H27N5O3/c1-22-13-15-26(16-14-22)34-35-31-30(23-9-5-3-6-10-23)36-37(32(31)24-11-7-4-8-12-24)29(39)21-28(38)33-25-17-19-27(40-2)20-18-25/h3-20H,21H2,1-2H3,(H,33,38)"	CC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=C(C=C4)OC)C5=CC=CC=C5	JKPJITBEAVMWLZ-UHFFFAOYSA-N
DG53837	NSC637991	367847	"10-[2-(Dimethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride; NSC637991; CHEMBL2005381; 6H-Imidazo[4,1-de]acridin-6-one, 5-[[2-(dimethylamino) ethyl]amino]-8-hydroxy-1-methyl-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637991	.	.	.	.	372.8	C19H21ClN4O2	70.4	514	.	26	3	5	4	"InChI=1S/C19H20N4O2.ClH/c1-11-21-15-6-5-14(20-8-9-22(2)3)17-18(15)23(11)16-7-4-12(24)10-13(16)19(17)25;/h4-7,10,20,24H,8-9H2,1-3H3;1H"	CC1=NC2=C3N1C4=C(C=C(C=C4)O)C(=O)C3=C(C=C2)NCCN(C)C.Cl	AOGYZQBOUKTWRQ-UHFFFAOYSA-N
DG53838	NSC637992	367848	"10-[2-(Diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride; NSC637992; CHEMBL1987469"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637992	.	.	.	.	400.9	C21H25ClN4O2	70.4	540	.	28	3	5	6	"InChI=1S/C21H24N4O2.ClH/c1-4-24(5-2)11-10-22-16-7-8-17-20-19(16)21(27)15-12-14(26)6-9-18(15)25(20)13(3)23-17;/h6-9,12,22,26H,4-5,10-11H2,1-3H3;1H"	CCN(CC)CCNC1=C2C3=C(C=C1)N=C(N3C4=C(C2=O)C=C(C=C4)O)C.Cl	YABNXUOSTHGECN-UHFFFAOYSA-N
DG53839	NSC637993	367849	"10-[2-(Diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride; NSC637993; SCHEMBL20526868; CCG-35774; 6H-Imidazo[4,1-de]acridin-6-one, 5-[2-(diethylamino) ethylamino]-8-methoxy-1-methyl-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637993	.	.	.	.	414.9	C22H27ClN4O2	59.4	555	.	29	2	5	7	"InChI=1S/C22H26N4O2.ClH/c1-5-25(6-2)12-11-23-17-8-9-18-21-20(17)22(27)16-13-15(28-4)7-10-19(16)26(21)14(3)24-18;/h7-10,13,23H,5-6,11-12H2,1-4H3;1H"	CCN(CC)CCNC1=C2C3=C(C=C1)N=C(N3C4=C(C2=O)C=C(C=C4)OC)C.Cl	GYDUKVCOVDBXKS-UHFFFAOYSA-N
DG53840	NSC637994	367851	"10-[3-(Diethylamino)propylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride; MLS002701681; NSC-637994; SMR001565279; NSC637994; cid_367851; CHEMBL1732657; BDBM97032; 6H-Imidazo[4,1-de]acridin-6-one, 5-[[3-(diethylamino) propyl]amino]-8-hydroxy-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637994	.	.	.	.	400.9	C21H25ClN4O2	70.4	526	.	28	3	5	7	"InChI=1S/C21H24N4O2.ClH/c1-3-24(4-2)11-5-10-22-16-7-8-17-20-19(16)21(27)15-12-14(26)6-9-18(15)25(20)13-23-17;/h6-9,12-13,22,26H,3-5,10-11H2,1-2H3;1H"	CCN(CC)CCCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O.Cl	JOPXSOWZGARKAE-UHFFFAOYSA-N
DG53841	"1,4-Ethanobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione, 3-(acetyloxy)-1,4-dihydro-2-methyl-15-(1-methylethenyl)-"	367860	"NSC638027; CHEMBL1965955; NSC-638027; (isopropenyl-methyl-dioxo-[ ]yl) acetate; 1,4-Ethanobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione, 3-(acetyloxy)-1,4-dihydro-2-methyl-15-(1-methylethenyl)-; NCI60_012649"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638027	.	.	.	.	402.4	C24H22N2O4	66.9	861	3.4	30	0	4	3	"InChI=1S/C24H22N2O4/c1-12(2)17-11-20-13(3)22(30-14(4)27)21(17)26-24(29)19-10-16-8-6-5-7-15(16)9-18(19)23(28)25(20)26/h5-10,17,20-21H,1,11H2,2-4H3"	CC1=C(C2C(CC1N3N2C(=O)C4=CC5=CC=CC=C5C=C4C3=O)C(=C)C)OC(=O)C	UJLCVYUXORRAHT-UHFFFAOYSA-N
DG53842	"4-[5-(4-nitrophenyl)furan-2-yl]-N-phenyl-1,3-thiazol-2-amine"	367867	"NSC638033; 137503-47-0; 4-[5-(4-nitrophenyl)furan-2-yl]-N-phenyl-1,3-thiazol-2-amine; CHEMBL2004356; DTXSID00327229; ZINC4643086; NSC-638033; NCI60_012654; 4-[5-(4-nitrophenyl)-2-furyl]-N-phenyl-thiazol-2-amine; 2-Anilino-4-(5-(4-(hydroxy(oxido)amino)phenyl)-2-furyl)-1,3-thiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638033	.	.	.	.	363.4	C19H13N3O3S	112	475	5.1	26	1	6	4	"InChI=1S/C19H13N3O3S/c23-22(24)15-8-6-13(7-9-15)17-10-11-18(25-17)16-12-26-19(21-16)20-14-4-2-1-3-5-14/h1-12H,(H,20,21)"	C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]	HTNBBJDKDCJXJL-UHFFFAOYSA-N
DG53843	4-[5-(4-nitrophenyl)-2-furyl]-N-(p-tolyl)thiazol-2-amine	367868	"NSC638034; CHEMBL1982339; NSC-638034; NCI60_012655; 4-[5-(4-nitrophenyl)-2-furyl]-N-(p-tolyl)thiazol-2-amine; 4-(5-(4-(Hydroxy(oxido)amino)phenyl)-2-furyl)-2-(4-toluidino)-1,3-thiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638034	.	.	.	.	377.4	C20H15N3O3S	112	501	5.4	27	1	6	4	"InChI=1S/C20H15N3O3S/c1-13-2-6-15(7-3-13)21-20-22-17(12-27-20)19-11-10-18(26-19)14-4-8-16(9-5-14)23(24)25/h2-12H,1H3,(H,21,22)"	CC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]	WKAJOJSMWLRESF-UHFFFAOYSA-N
DG53844	4-[5-(4-nitrophenyl)-2-furyl]-N-(2-pyridyl)thiazol-2-amine	367869	"NSC638035; CHEMBL1964709; ZINC1454202; STL016940; AKOS002069635; MCULE-4757929238; NSC-638035; NCI60_012656; AB00686176-01; 4-[5-(4-nitrophenyl)-2-furyl]-N-(2-pyridyl)thiazol-2-amine; N-{4-[5-(4-nitrophenyl)-2-furyl]-1,3-thiazol-2-yl}pyridin-2-amine; N-{4-[5-(4-nitrophenyl)furan-2-yl]-1,3-thiazol-2-yl}pyridin-2-amine; 2-((4-(5-(4-(Hydroxy(oxido)amino)phenyl)-2-furyl)-1,3-thiazol-2-yl)amino)pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638035	.	.	.	.	364.4	C18H12N4O3S	125	484	4.3	26	1	7	4	"InChI=1S/C18H12N4O3S/c23-22(24)13-6-4-12(5-7-13)15-8-9-16(25-15)14-11-26-18(20-14)21-17-3-1-2-10-19-17/h1-11H,(H,19,20,21)"	C1=CC=NC(=C1)NC2=NC(=CS2)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]	ULQUMRVXJWEDFK-UHFFFAOYSA-N
DG53845	"1-((2-Chlorophenoxy)acetyl)-3-(5-(hydroxy(oxido)amino)-2-furyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-ol"	367870	"NSC638036; CHEMBL1990416; NSC-638036; NCI60_012657; 1-((2-Chlorophenoxy)acetyl)-3-(5-(hydroxy(oxido)amino)-2-furyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-ol; 2-(2-chlorophenoxy)-1-[5-hydroxy-3-(5-nitro-2-furyl)-5-(p-tolyl)-4H-pyrazol-1-yl]ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638036	.	.	.	.	455.8	C22H18ClN3O6	121	738	4.7	32	1	7	5	"InChI=1S/C22H18ClN3O6/c1-14-6-8-15(9-7-14)22(28)12-17(19-10-11-21(32-19)26(29)30)24-25(22)20(27)13-31-18-5-3-2-4-16(18)23/h2-11,28H,12-13H2,1H3"	CC1=CC=C(C=C1)C2(CC(=NN2C(=O)COC3=CC=CC=C3Cl)C4=CC=C(O4)[N+](=O)[O-])O	QZRSETPEVKTSNM-UHFFFAOYSA-N
DG53846	"1-((4-Chlorophenoxy)acetyl)-3-(5-(hydroxy(oxido)amino)-2-furyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-ol"	367871	"NSC638037; CHEMBL1991521; NSC-638037; NCI60_012658; 1-((4-Chlorophenoxy)acetyl)-3-(5-(hydroxy(oxido)amino)-2-furyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-ol; 2-(4-chlorophenoxy)-1-[5-hydroxy-3-(5-nitro-2-furyl)-5-(p-tolyl)-4H-pyrazol-1-yl]ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638037	.	.	.	.	455.8	C22H18ClN3O6	121	730	4.7	32	1	7	5	"InChI=1S/C22H18ClN3O6/c1-14-2-4-15(5-3-14)22(28)12-18(19-10-11-21(32-19)26(29)30)24-25(22)20(27)13-31-17-8-6-16(23)7-9-17/h2-11,28H,12-13H2,1H3"	CC1=CC=C(C=C1)C2(CC(=NN2C(=O)COC3=CC=C(C=C3)Cl)C4=CC=C(O4)[N+](=O)[O-])O	XRMVGCUDTXEHCY-UHFFFAOYSA-N
DG53847	"1-((4-Chlorophenoxy)acetyl)-3-(5-(hydroxy(oxido)amino)-2-furyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol"	367872	"NSC638038; CHEMBL1973988; NSC-638038; NCI60_012659; 2-(4-chlorophenoxy)-1-[5-hydroxy-3-(5-nitro-2-furyl)-5-phenyl-4H-pyrazol-1-yl]ethanone; 1-((4-Chlorophenoxy)acetyl)-3-(5-(hydroxy(oxido)amino)-2-furyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638038	.	.	.	.	441.8	C21H16ClN3O6	121	702	4.4	31	1	7	5	"InChI=1S/C21H16ClN3O6/c22-15-6-8-16(9-7-15)30-13-19(26)24-21(27,14-4-2-1-3-5-14)12-17(23-24)18-10-11-20(31-18)25(28)29/h1-11,27H,12-13H2"	C1C(=NN(C1(C2=CC=CC=C2)O)C(=O)COC3=CC=C(C=C3)Cl)C4=CC=C(O4)[N+](=O)[O-]	LRCOUHYBNBBCLE-UHFFFAOYSA-N
DG53848	"1-((4-Chlorophenoxy)acetyl)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol"	367876	"NSC638042; 1-((4-Chlorophenoxy)acetyl)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol; CHEMBL1973263; NSC-638042; 2-(4-chlorophenoxy)-1-[3-(4-chlorophenyl)-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]ethanone; NCI60_012663"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638042	.	.	.	.	441.3	C23H18Cl2N2O3	62.1	624	5.4	30	1	4	5	"InChI=1S/C23H18Cl2N2O3/c24-18-8-6-16(7-9-18)21-14-23(29,17-4-2-1-3-5-17)27(26-21)22(28)15-30-20-12-10-19(25)11-13-20/h1-13,29H,14-15H2"	C1C(=NN(C1(C2=CC=CC=C2)O)C(=O)COC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl	ZZBKQACBUAMRNJ-UHFFFAOYSA-N
DG53849	2-N-Methyl-6-thiaellipticinum iodide	367888	"NSC638066; CHEMBL1998866; 2-N-Methyl-6-thiaellipticinum iodide; NSC-638066; [1]Benzothieno[2, 2,5,11-trimethyl-, iodide; 2,11-Trimethyl[1]benzothieno[2,3-g]methylisoquinoliniumiodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638066	.	.	.	.	405.3	C18H16INS	32.1	370	.	21	0	2	0	"InChI=1S/C18H16NS.HI/c1-11-15-10-19(3)9-8-13(15)12(2)18-17(11)14-6-4-5-7-16(14)20-18;/h4-10H,1-3H3;1H/q+1;/p-1"	CC1=C2C=C[N+](=CC2=C(C3=C1SC4=CC=CC=C43)C)C.[I-]	AIVSHKZCEFZYFZ-UHFFFAOYSA-M
DG53850	benzyl (4R)-5-(dipentylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoate	367890	NSC638067; CHEMBL1977848; NSC-638067; NCI60_012676	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638067	.	.	.	.	519.7	C31H41N3O4	91.5	714	6.5	38	2	4	17	"InChI=1S/C31H41N3O4/c1-3-5-12-20-34(21-13-6-4-2)31(37)27(18-19-29(35)38-23-24-14-8-7-9-15-24)33-30(36)28-22-25-16-10-11-17-26(25)32-28/h7-11,14-17,22,27,32H,3-6,12-13,18-21,23H2,1-2H3,(H,33,36)/t27-/m1/s1"	CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3N2	AKEVYRPJLADBDC-HHHXNRCGSA-N
DG53851	benzyl (4S)-5-(dipentylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoate	367891	CHEMBL1992487; NSC638068; NSC-638068; NCI60_012677	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638068	.	.	.	.	519.7	C31H41N3O4	91.5	714	6.5	38	2	4	17	"InChI=1S/C31H41N3O4/c1-3-5-12-20-34(21-13-6-4-2)31(37)27(18-19-29(35)38-23-24-14-8-7-9-15-24)33-30(36)28-22-25-16-10-11-17-26(25)32-28/h7-11,14-17,22,27,32H,3-6,12-13,18-21,23H2,1-2H3,(H,33,36)/t27-/m0/s1"	CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3N2	AKEVYRPJLADBDC-MHZLTWQESA-N
DG53852	4-Dipentylcarbamoyl-4-[(1H-indole-2-carbonyl)-amino]-butyric acid	367892	CHEMBL112222; A-64718; 4-Dipentylcarbamoyl-4-[(1H-indole-2-carbonyl)-amino]-butyric acid; SCHEMBL9649116; BDBM50008661; NSC638069; NSC-638069; NCI60_012678	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638069	.	.	.	.	429.6	C24H35N3O4	103	573	4.7	31	3	4	14	"InChI=1S/C24H35N3O4/c1-3-5-9-15-27(16-10-6-4-2)24(31)20(13-14-22(28)29)26-23(30)21-17-18-11-7-8-12-19(18)25-21/h7-8,11-12,17,20,25H,3-6,9-10,13-16H2,1-2H3,(H,26,30)(H,28,29)/t20-/m1/s1"	CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC2=CC=CC=C2N1	ZCLCUGHPNSTPGZ-HXUWFJFHSA-N
DG53853	3-Methoxychromen-2-one	367929	"3-methoxychromen-2-one; NSC638128; 112117-57-4; 3-methoxy-chromen-2-one; 2549-07-7; methoxycoumarin; SCHEMBL106241; CHEMBL497593; DTXSID30327232; CHEBI:140398; ZINC1625438; 2h-1-benzopyran-2-one,3-methoxy-; AKOS022060360; NSC-638128; NCI60_012700"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638128	.	.	.	.	176.17	C10H8O3	35.5	245	2.1	13	0	3	1	"InChI=1S/C10H8O3/c1-12-9-6-7-4-2-3-5-8(7)13-10(9)11/h2-6H,1H3"	COC1=CC2=CC=CC=C2OC1=O	HQCYVSPJIOJEGA-UHFFFAOYSA-N
DG53854	"5-Amino-2-(4-methoxyanilino)-1,3-thiazole-4-carbonitrile"	367980	"NSC638198; CHEMBL2001965; 5-Amino-2-(4-methoxyanilino)-1,3-thiazole-4-carbonitrile; NSC-638198; NCI60_012710; 5-amino-2-(4-methoxyanilino)thiazole-4-carbonitrile; 5-Amino-2-[4-methoxyphenylamino]thiazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638198	.	.	.	.	246.29	C11H10N4OS	112	297	3.1	17	2	6	3	"InChI=1S/C11H10N4OS/c1-16-8-4-2-7(3-5-8)14-11-15-9(6-12)10(13)17-11/h2-5H,13H2,1H3,(H,14,15)"	COC1=CC=C(C=C1)NC2=NC(=C(S2)N)C#N	OQUNZTFZBABXOM-UHFFFAOYSA-N
DG53855	"5-Amino-2-(4-chloroanilino)-1,3-thiazole-4-carbonitrile"	367981	"NSC638199; CHEMBL1973231; 5-Amino-2-(4-chloroanilino)-1,3-thiazole-4-carbonitrile; NSC-638199; NCI60_012711; 5-amino-2-(4-chloroanilino)thiazole-4-carbonitrile; 5-Amino-2-[4-chlorophenylamino]thiazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638199	.	.	.	.	250.71	C10H7ClN4S	103	284	3.7	16	2	5	2	"InChI=1S/C10H7ClN4S/c11-6-1-3-7(4-2-6)14-10-15-8(5-12)9(13)16-10/h1-4H,13H2,(H,14,15)"	C1=CC(=CC=C1NC2=NC(=C(S2)N)C#N)Cl	QJEGJEJZNHISLK-UHFFFAOYSA-N
DG53856	"5-Amino-2-(1-naphthylamino)-1,3-thiazole-4-carbonitrile"	367983	"NSC638201; 5-amino-2-(1-naphthylamino)thiazole-4-carbonitrile; 5-Amino-2-[1-naphthylamino]thiazole-4-carbonitrile; CHEMBL1966223; 5-Amino-2-(1-naphthylamino)-1,3-thiazole-4-carbonitrile; NSC-638201; NCI60_012713"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638201	.	.	.	.	266.32	C14H10N4S	103	366	4.3	19	2	5	2	"InChI=1S/C14H10N4S/c15-8-12-13(16)19-14(18-12)17-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,16H2,(H,17,18)"	C1=CC=C2C(=C1)C=CC=C2NC3=NC(=C(S3)N)C#N	FBQGUKYMSRIVNJ-UHFFFAOYSA-N
DG53857	"N-Phenylthiazolo[5,4-d]pyrimidine-2,7-diamine"	367984	"NSC638202; CHEMBL1992981; NSC-638202; NCI60_012714; N-Phenylthiazolo[5,4-d]pyrimidine-2,7-diamine; N2-phenylthiazolo[5,4-d]pyrimidine-2,7-diamine; N~2~-Phenyl[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638202	.	.	.	.	243.29	C11H9N5S	105	258	2.5	17	2	6	2	"InChI=1S/C11H9N5S/c12-9-8-10(14-6-13-9)17-11(16-8)15-7-4-2-1-3-5-7/h1-6H,(H,15,16)(H2,12,13,14)"	C1=CC=C(C=C1)NC2=NC3=C(N=CN=C3S2)N	LXSHSMPIZAEETA-UHFFFAOYSA-N
DG53858	"Tetrahydro-3-methyl-4-[(diethylthiocarbamoyl)thio]-2-[bis(2-chloroethyl)amino]-2H-1,3,2-oxazaphosphorine 2-oxide"	368012	"NSC638241; CHEMBL168659; NSC-638241; NCI60_012738; Tetrahydro-3-methyl-4-[(diethylthiocarbamoyl)thio]-2-[bis(2-chloroethyl)amino]-2H-1,3,2-oxazaphosphorine 2-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638241	.	.	.	.	422.4	C13H26Cl2N3O2PS2	93.4	424	3.1	23	0	6	9	"InChI=1S/C13H26Cl2N3O2PS2/c1-4-17(5-2)13(22)23-12-6-11-20-21(19,16(12)3)18(9-7-14)10-8-15/h12H,4-11H2,1-3H3"	CCN(CC)C(=S)SC1CCOP(=O)(N1C)N(CCCl)CCCl	NWUUTAVBTIUBPX-UHFFFAOYSA-N
DG53859	"Diisopropoxybis(1,4-naphthochinone-2-olato)titanium(IV)"	368058	"NSC638383; NSC-638383; Diisopropoxybis(1,4-naphthochinone-2-olato)titanium(IV)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638383	.	.	.	.	512.299	C26H24O8Ti	161	733	.	35	0	8	2	"InChI=1S/2C10H6O3.2C3H7O.Ti/c2*11-8-5-9(12)10(13)7-4-2-1-3-6(7)8;2*1-3(2)4;/h2*1-5,12H;2*3H,1-2H3;/q;;2*-1;+4/p-2"	CC(C)[O-].CC(C)[O-].C1=CC=C2C(=C1)C(=O)C=C(C2=O)[O-].C1=CC=C2C(=C1)C(=O)C=C(C2=O)[O-].[Ti+4]	GBPDRFJBZLKMDG-UHFFFAOYSA-L
DG53860	"2-Methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]phenol"	368064	NSC638388; CHEMBL1977651; ZINC1625537; NSC-638388; NCI60_012811	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638388	.	.	.	.	304.34	C17H20O5	57.2	310	2.7	22	1	5	6	"InChI=1S/C17H20O5/c1-19-14-8-11(5-6-13(14)18)7-12-9-15(20-2)17(22-4)16(10-12)21-3/h5-6,8-10,18H,7H2,1-4H3"	COC1=CC(=CC(=C1OC)OC)CC2=CC(=C(C=C2)O)OC	KFXKATJJSRKYBZ-UHFFFAOYSA-N
DG53861	"2',3,4,5-Tetramethoxybibenzyl"	368066	"2',3,4,5-Tetramethoxybibenzyl; NSC638391; 2',4,5-Tetramethoxybibenzyl; CHEMBL315602; ZINC1625539; NSC-638391; NCI60_012813"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638391	.	.	.	.	302.4	C18H22O4	36.9	296	4	22	0	4	7	"InChI=1S/C18H22O4/c1-19-15-8-6-5-7-14(15)10-9-13-11-16(20-2)18(22-4)17(12-13)21-3/h5-8,11-12H,9-10H2,1-4H3"	COC1=CC=CC=C1CCC2=CC(=C(C(=C2)OC)OC)OC	GJKHXLPDHHGPTB-UHFFFAOYSA-N
DG53862	"Benzo(g)(2)benzopyrano(4,3-b)indol-5(13H)-one, 13-(3-(dimethylamino)propyl)-, monohydrochloride"	368090	"MLS002701682; Benzo(g)(2)benzopyrano(4,3-b)indol-5(13H)-one, 13-(3-(dimethylamino)propyl)-, monohydrochloride; 139214-11-2; NSC-638432; SMR001565280; NSC638432; 13-(3-(Dimethylamino)propyl)benzo[g]isochromeno[4,3-b]indol-5(13H)-one hydrochloride; NCGC00014952; 13-(3-(Dimethylamino)propyl)benzo(g)(2)benzopyrano(4,3-b)indol-5(13H)-one hydrochloride; cid_368090; CHEMBL1488420; BDBM83710; DTXSID70160963; CCG-37702; NCI638432; NCGC00098052-01; Benzo[g][2]benzopyrano[4, 5,13-dihydro-13-[3-(dimethylamino)propyl]-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638432	.	.	.	.	406.9	C24H23ClN2O2	34.5	579	.	29	1	3	4	"InChI=1S/C24H22N2O2.ClH/c1-25(2)14-7-15-26-21-17-9-4-3-8-16(17)12-13-20(21)23-22(26)18-10-5-6-11-19(18)24(27)28-23;/h3-6,8-13H,7,14-15H2,1-2H3;1H"	CN(C)CCCN1C2=C(C=CC3=CC=CC=C32)C4=C1C5=CC=CC=C5C(=O)O4.Cl	NRPKZBJQMMCLPA-UHFFFAOYSA-N
DG53863	Inostamycin	368135	Inostamycin; NSC638478; 129905-10-8; Inostamycin A; 129905-10-8 (as free form); NSC-638478; NCI60_012863	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638478	.	.	.	.	700.9	C38H68O11	183	1140	5.4	49	6	11	16	"InChI=1S/C38H68O11/c1-12-17-28(39)36(16-5)19-21(7)38(46,49-36)35(11)18-20(6)32(47-35)25(13-2)30(41)22(8)29(40)23(9)33-26(14-3)31(42)24(10)37(45,48-33)27(15-4)34(43)44/h20-29,31-33,39-40,42,45-46H,12-19H2,1-11H3,(H,43,44)/t20-,21 ,22 ,23-,24-,25 ,26 ,27 ,28 ,29+,31 ,32-,33 ,35 ,36+,37 ,38 /m0/s1"	CCCC([C@]1(CC(C(O1)(C2(C[C@@H]([C@H](O2)C(CC)C(=O)C(C)[C@H]([C@H](C)C3C(C([C@@H](C(O3)(C(CC)C(=O)O)O)C)O)CC)O)C)C)O)C)CC)O	NZJHONRWXITMMC-RBLAFODUSA-N
DG53864	Antineoplastic-638479	368136	"NSC638479; Neuro_000294; CHEMBL311846; SCHEMBL9186240; ANTINEOPLASTIC-638479; NSC-638479; NCI60_012864; 2-(3,4,5-Trimethoxyphenyl)-3-(4-methoxyphenyl)propionitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638479	.	.	.	.	327.4	C19H21NO4	60.7	399	3.5	24	0	5	7	"InChI=1S/C19H21NO4/c1-21-16-7-5-13(6-8-16)9-15(12-20)14-10-17(22-2)19(24-4)18(11-14)23-3/h5-8,10-11,15H,9H2,1-4H3"	COC1=CC=C(C=C1)CC(C#N)C2=CC(=C(C(=C2)OC)OC)OC	SBMZSVIBRCQFRR-UHFFFAOYSA-N
DG53865	"3-(3,4,5-Trimethoxyphenyl)-2-(4-methoxyphenyl)propionitrile"	368137	"NSC638480; CHEMBL305889; SCHEMBL9185981; NSC-638480; NCI60_012865; 2-(4-Methoxyphenyl)-3-(3,5-trimethoxyphenyl)propanonitrile; 3-(3,4,5-Trimethoxyphenyl)-2-(4-methoxyphenyl)propionitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638480	.	.	.	.	327.4	C19H21NO4	60.7	399	3.5	24	0	5	7	"InChI=1S/C19H21NO4/c1-21-16-7-5-14(6-8-16)15(12-20)9-13-10-17(22-2)19(24-4)18(11-13)23-3/h5-8,10-11,15H,9H2,1-4H3"	COC1=CC=C(C=C1)C(CC2=CC(=C(C(=C2)OC)OC)OC)C#N	HOEGAADPJGVIFT-UHFFFAOYSA-N
DG53866	"(3,4,5-Trimethoxyphenyl)(4-methoxyphenyl)methanol"	368140	"NSC638483; CHEMBL76327; SCHEMBL9189114; NSC-638483; NCI60_012868; (4-Methoxyphenyl)-(3,5-trimethoxyphenyl)methanol; 4-Methoxyphenyl-(3,4,5-trimethoxyphenyl)methanol; (3,4,5-Trimethoxyphenyl)(4-methoxyphenyl)methanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638483	.	.	.	.	304.34	C17H20O5	57.2	302	2.6	22	1	5	6	"InChI=1S/C17H20O5/c1-19-13-7-5-11(6-8-13)16(18)12-9-14(20-2)17(22-4)15(10-12)21-3/h5-10,16,18H,1-4H3"	COC1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)O	CTISBFSGYTVNIP-UHFFFAOYSA-N
DG53867	"1,2,3-Trimethoxy-5-(4-methoxybenzyl)benzene"	368141	"NSC638484; 1,2,3-trimethoxy-5-(4-methoxybenzyl)benzene; Neuro_000295; CHEMBL295663; SCHEMBL9183359; ZINC1625611; NSC-638484; NCI60_012869; (4-Methoxyphenyl)-(3,5-trimethoxyphenyl)methane; 4-Methoxyphenyl-(3,4,5-trimethoxyphenyl)methane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638484	.	.	.	.	288.34	C17H20O4	36.9	275	3.3	21	0	4	6	"InChI=1S/C17H20O4/c1-18-14-7-5-12(6-8-14)9-13-10-15(19-2)17(21-4)16(11-13)20-3/h5-8,10-11H,9H2,1-4H3"	COC1=CC=C(C=C1)CC2=CC(=C(C(=C2)OC)OC)OC	QQEICWBYUTVTEA-UHFFFAOYSA-N
DG53868	"Methanone, (4-methoxyphenyl)(3,4,5-trimethoxyphenyl)-"	368149	"Methanone, (4-methoxyphenyl)(3,4,5-trimethoxyphenyl)-; 109091-08-9; (4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone; 3,4,4',5-Tetramethoxybenzophenone; NSC638498; Neuro_000297; (4-methoxyphenyl)(3,4,5-trimethoxyphenyl)methanone; CHEMBL431388; SCHEMBL9189645; 3,4',5-Tetramethoxybenzophenone; DTXSID80327242; ZINC1625622; NSC-638498; NCI60_012883; (4-Methoxy-phenyl)-(3,4,5-trimethoxy-phenyl)-methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638498	.	.	.	.	302.32	C17H18O5	54	337	3.1	22	0	5	6	"InChI=1S/C17H18O5/c1-19-13-7-5-11(6-8-13)16(18)12-9-14(20-2)17(22-4)15(10-12)21-3/h5-10H,1-4H3"	COC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC	GGZQGMKOFKNKQN-UHFFFAOYSA-N
DG53869	Ecteinascidin 729	368263	Ecteinascidin 729; Et-729; NSC638718; CHEMBL1998895; NSC-638718; NCI60_012920	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638718	.	.	.	.	747.8	C38H41N3O11S	203	1410	2.9	53	5	15	4	"InChI=1S/C38H41N3O11S/c1-15-8-19-9-21-36(45)41-22-12-49-37(46)38(20-11-24(47-4)23(43)10-18(20)6-7-39-38)13-53-35(29(41)28(40-21)25(19)30(44)31(15)48-5)27-26(22)34-33(50-14-51-34)16(2)32(27)52-17(3)42/h8,10-11,21-22,28-29,35-36,39-40,43-45H,6-7,9,12-14H2,1-5H3/t21 ,22 ,28 ,29 ,35-,36-,38-/m0/s1"	CC1=CC2=C(C3C4[C@@H]5C6=C(C(=C7C(=C6C(N4[C@H](C(C2)N3)O)COC(=O)[C@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O	UPGCDKVJPIRNTG-HKGVKFBLSA-N
DG53870	"4-Imidazolidinecarboxylic acid, 5-[(aminocarbonyl)amino]-2-oxo-1,3-bis(phenylmethyl)-"	368269	"NSC638725; CHEMBL1985892; NSC-638725; 4-Imidazolidinecarboxylic acid, 5-[(aminocarbonyl)amino]-2-oxo-1,3-bis(phenylmethyl)-; NCI60_012923; 1,3-dibenzyl-2-oxo-5-ureido-imidazolidine-4-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638725	.	.	.	.	368.4	C19H20N4O4	116	558	1.6	27	3	4	6	"InChI=1S/C19H20N4O4/c20-18(26)21-16-15(17(24)25)22(11-13-7-3-1-4-8-13)19(27)23(16)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,24,25)(H3,20,21,26)"	C1=CC=C(C=C1)CN2C(C(N(C2=O)CC3=CC=CC=C3)NC(=O)N)C(=O)O	KBAMQSBJKLGFGF-UHFFFAOYSA-N
DG53871	Diisopropoxybis(tropolonato)titanium(IV)	368274	NSC638738; NSC-638738; Diisopropoxybis(tropolonato)titanium(IV)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638738	.	.	.	.	408.3	C20H24O6Ti	126	513	.	27	0	6	2	"InChI=1S/2C7H6O2.2C3H7O.Ti/c2*8-6-4-2-1-3-5-7(6)9;2*1-3(2)4;/h2*1-5H,(H,8,9);2*3H,1-2H3;/q;;2*-1;+4/p-2"	CC(C)[O-].CC(C)[O-].C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].[Ti+4]	QYDZMNXGGJLJFG-UHFFFAOYSA-L
DG53872	Tetrakis(8-chinolineolato)titanium(IV)-tetrahydrochloride	368279	NSC638748; NSC-638748; Tetrakis(8-chinolineolato)titanium(IV)-tetrahydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638748	.	.	.	.	660.9	C36H25ClN4O4Ti	144	685	.	46	1	8	4	"InChI=1S/4C9H7NO.ClH.Ti/c4*11-8-5-1-3-7-4-2-6-10-9(7)8;;/h4*1-6,11H;1H;/q;;;;;+4/p-4"	C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.Cl.[Ti+4]	WPJOFMXZHYSKBL-UHFFFAOYSA-J
DG53873	Diethoxybis(6-nitroso-2-naphtholato)titanium(IV)	368283	NSC638752; NSC-638752; Diethoxybis(6-nitroso-2-naphtholato)titanium(IV)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638752	.	.	.	.	482.3	C24H22N2O6Ti	151	471	.	33	0	8	4	"InChI=1S/2C10H7NO2.2C2H5O.Ti/c2*12-10-4-2-7-5-9(11-13)3-1-8(7)6-10;2*1-2-3;/h2*1-6,12H;2*2H2,1H3;/q;;2*-1;+4/p-2"	CC[O-].CC[O-].C1=CC2=C(C=CC(=C2)[O-])C=C1N=O.C1=CC2=C(C=CC(=C2)[O-])C=C1N=O.[Ti+4]	OXWFERGAPWRHBU-UHFFFAOYSA-L
DG53874	"Diethoxybis(1,4-naphthochinone-2-olato)titanium(IV)"	368297	"NSC638842; NSC-638842; Diethoxybis(1,4-naphthochinone-2-olato)titanium(IV)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638842	.	.	.	.	484.3	C24H20O8Ti	161	681	.	33	0	8	2	"InChI=1S/2C10H6O3.2C2H5O.Ti/c2*11-8-5-9(12)10(13)7-4-2-1-3-6(7)8;2*1-2-3;/h2*1-5,12H;2*2H2,1H3;/q;;2*-1;+4/p-2"	CC[O-].CC[O-].C1=CC=C2C(=C1)C(=O)C=C(C2=O)[O-].C1=CC=C2C(=C1)C(=O)C=C(C2=O)[O-].[Ti+4]	GREWJYYQYXWYSW-UHFFFAOYSA-L
DG53875	Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-palmitoylhexopyranoside	368307	"NSC638855; CHEMBL1994307; NSC-638855; Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-palmitoylhexopyranoside; NCI60_012978; [5-[[2-chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl hexadecanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638855	.	.	.	.	566.1	C26H48ClN3O8	147	660	7.2	38	3	9	21	"InChI=1S/C26H48ClN3O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(31)37-19-20-23(32)24(33)22(25(36-2)38-20)28-26(34)30(29-35)18-17-27/h20,22-25,32-33H,3-19H2,1-2H3,(H,28,34)"	CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC)NC(=O)N(CCCl)N=O)O)O	BLWQPTZKSURJND-UHFFFAOYSA-N
DG53876	9-Glycinamido-20(RS)-camptothecin hydrochloride	368336	"CHEMBL558618; SCHEMBL8738070; CHEMBL1196920; BDBM50045384; NSC619232; NSC-619232; 9-Glycinamido-20(RS)-camptothecin hydrochloride; (20RS)-2-Amino-N-(4-ethyl-4-hydroxy-3,13-dioxo-3,4,12,13-tetrahydro-1H-2-oxa-6,12a-diaza-dibenzo[b,h]fluoren-10-yl)-acetamide; hydrochloride; Glycinamide, N-(4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14- dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-10-yl)-, monohydrochloride, (+-)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619232	.	.	.	.	420.4	C22H20N4O5	135	898	-0.7	31	3	7	3	"InChI=1S/C22H20N4O5/c1-2-22(30)14-7-17-19-11(9-26(17)20(28)13(14)10-31-21(22)29)6-12-15(24-18(27)8-23)4-3-5-16(12)25-19/h3-7,30H,2,8-10,23H2,1H3,(H,24,27)"	CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5NC(=O)CN)N=C4C3=C2)O	DTOULAIVSVXJDX-UHFFFAOYSA-N
DG53877	NSC639187	368342	"(6R)-1,6,11-trihydroxy-8-[4-hydroxy-5-[5-hydroxy-4-[5-[4-hydroxy-5-[5-hydroxy-4-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-methyl-5,6-dihydrobenzo[a]anthracene-7,12-dione; Landomycin A; NSC639187; CHEMBL411784; NSC-639187; NCI60_013009"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639187	.	.	.	.	1087.2	C55H74O22	307	2060	3.1	77	8	22	12	"InChI=1S/C55H74O22/c1-21-14-28-16-32(59)47-49(45(28)31(58)15-21)53(65)46-30(57)8-10-36(48(46)52(47)64)73-42-18-34(61)55(27(7)71-42)77-44-20-38(51(63)25(5)69-44)75-40-13-11-35(23(3)67-40)72-41-17-33(60)54(26(6)70-41)76-43-19-37(50(62)24(4)68-43)74-39-12-9-29(56)22(2)66-39/h8,10,14-15,22-27,29,32-35,37-44,50-51,54-63H,9,11-13,16-20H2,1-7H3/t22 ,23 ,24 ,25 ,26 ,27 ,29 ,32-,33 ,34 ,35 ,37 ,38 ,39 ,40 ,41 ,42 ,43 ,44 ,50 ,51 ,54 ,55 /m1/s1"	CC1C(CCC(O1)OC2CC(OC(C2O)C)OC3C(OC(CC3O)OC4CCC(OC4C)OC5CC(OC(C5O)C)OC6C(OC(CC6O)OC7=C8C(=C(C=C7)O)C(=O)C9=C(C8=O)[C@@H](CC1=C9C(=CC(=C1)C)O)O)C)C)O	YMSZNAXJMXNNPT-OELAXGSHSA-N
DG53878	"N',N'-dimethyl-N-(5-nitroquinolin-4-yl)propane-1,3-diamine;hydrochloride"	368343	NSC639205; CHEMBL1980032; NSC-639205	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639205	.	.	.	.	310.78	C14H19ClN4O2	74	319	.	21	2	5	5	"InChI=1S/C14H18N4O2.ClH/c1-17(2)10-4-8-15-12-7-9-16-11-5-3-6-13(14(11)12)18(19)20;/h3,5-7,9H,4,8,10H2,1-2H3,(H,15,16);1H"	CN(C)CCCNC1=C2C(=NC=C1)C=CC=C2[N+](=O)[O-].Cl	KSUFKZLGSNYVAE-UHFFFAOYSA-N
DG53879	"N,N'-dinaphthalen-1-ylhexane-1,6-diamine;hydrobromide"	368360	NSC639219; CHEMBL1982310; NSC-639219	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639219	.	.	.	.	449.4	C26H29BrN2	24.1	396	.	29	3	2	9	"InChI=1S/C26H28N2.BrH/c1(7-19-27-25-17-9-13-21-11-3-5-15-23(21)25)2-8-20-28-26-18-10-14-22-12-4-6-16-24(22)26;/h3-6,9-18,27-28H,1-2,7-8,19-20H2;1H"	C1=CC=C2C(=C1)C=CC=C2NCCCCCCNC3=CC=CC4=CC=CC=C43.Br	MMVIZYIAUGOENZ-UHFFFAOYSA-N
DG53880	1-(3-Diethylamino-2-hydroxypropylamine)-4-(3-chloro-2-hydroxypropylamine)anthraquinone	368387	"NSC-639365; NSC639365; SCHEMBL9423700; CHEMBL1965093; 1-(3-Diethylamino-2-hydroxypropylamine)-4-(3-chloro-2- hydroxypropylamine)anthraquinone; 1-(3-Diethylamino-2-Hydroxypropylamino)-4-(3-Chloro-2-Hydroxypropylamino)-9, 10-Anthracenedione Hydrochloride Salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639365	.	.	.	.	496.4	C24H31Cl2N3O4	102	632	.	33	5	7	11	"InChI=1S/C24H30ClN3O4.ClH/c1-3-28(4-2)14-16(30)13-27-20-10-9-19(26-12-15(29)11-25)21-22(20)24(32)18-8-6-5-7-17(18)23(21)31;/h5-10,15-16,26-27,29-30H,3-4,11-14H2,1-2H3;1H"	CCN(CC)CC(CNC1=C2C(=C(C=C1)NCC(CCl)O)C(=O)C3=CC=CC=C3C2=O)O.Cl	JXZILNDFAYXEFX-UHFFFAOYSA-N
DG53881	"4-Chloro-1-ethoxy-3-methyl-1,2-dihydrophosphorin 1-oxide"	368399	"NSC639390; CHEMBL2000083; NSC-639390; NCI60_013041; 4-Chloro-1-ethoxy-3-methyl-1,2-dihydrophosphorin 1-oxide; 1-Ethoxy-3-methyl-4-chloro-1-phospha(V)cyclohexa-3,5-diene-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639390	.	.	.	.	206.6	C8H12ClO2P	26.3	281	0.8	12	0	2	2	"InChI=1S/C8H12ClO2P/c1-3-11-12(10)5-4-8(9)7(2)6-12/h4-5H,3,6H2,1-2H3"	CCOP1(=O)CC(=C(C=C1)Cl)C	XPXVVCIKUBLFCQ-UHFFFAOYSA-N
DG53882	4-chloro-3-methyl-1-propan-2-yloxy-2H-1lambda5-phosphinine 1-oxide	368400	NSC639391; CHEMBL2005312; NSC-639391; NCI60_013042	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639391	.	.	.	.	220.63	C9H14ClO2P	26.3	305	1.3	13	0	2	2	"InChI=1S/C9H14ClO2P/c1-7(2)12-13(11)5-4-9(10)8(3)6-13/h4-5,7H,6H2,1-3H3"	CC1=C(C=CP(=O)(C1)OC(C)C)Cl	QFSZGOPFUCXBAQ-UHFFFAOYSA-N
DG53883	Tridecylboronic acid	368422	tridecylboronic acid; NSC639424; 1-tridecylboronic acid; 4m1j; N-TRIDECANEBORONIC ACID; CHEMBL1966359; AB23092; NSC-639424; NCI60_013059; NCI60_013060; Q27458161; 1449291-52-4	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639424	.	.	.	.	228.18	C13H29BO2	40.5	129	.	16	2	2	12	"InChI=1S/C13H29BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h15-16H,2-13H2,1H3"	B(CCCCCCCCCCCCC)(O)O	IBKXABQGVIIFFS-UHFFFAOYSA-N
DG53884	3-(4-Chloro-1-naphthyl)-2-benzofuran-1(3H)-one	368427	NSC639443; 3-(4-Chloro-1-naphthyl)-2-benzofuran-1(3H)-one; CHEMBL1972042; 3-[4'-Chloro-1-naphthyl]phthalide; NSC-639443; {3-[4'-Chloro-1-naphthyl]phthalide}; NCI60_013061; 3-(4-chloro-1-naphthyl)-3H-isobenzofuran-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639443	.	.	.	.	294.7	C18H11ClO2	26.3	410	4.5	21	0	2	1	"InChI=1S/C18H11ClO2/c19-16-10-9-14(11-5-1-2-6-12(11)16)17-13-7-3-4-8-15(13)18(20)21-17/h1-10,17H"	C1=CC=C2C(=C1)C(OC2=O)C3=CC=C(C4=CC=CC=C34)Cl	AJTOEBRDTYZUPU-UHFFFAOYSA-N
DG53885	2-[(Dimethylamino)methyl]-5-propan-2-ylidenecyclopentan-1-one;hydrochloride	368456	NSC639506; SCHEMBL9301348; CHEMBL1969740; NSC-639506	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639506	.	.	.	.	217.73	C11H20ClNO	20.3	237	.	14	1	2	2	"InChI=1S/C11H19NO.ClH/c1-8(2)10-6-5-9(11(10)13)7-12(3)4;/h9H,5-7H2,1-4H3;1H"	CC(=C1CCC(C1=O)CN(C)C)C.Cl	ULJWQYICSKPBMW-UHFFFAOYSA-N
DG53886	2-(Morpholin-4-ylmethyl)-5-propan-2-ylidenecyclopentan-1-one;hydrochloride	368458	NSC639507; CHEMBL1986170; NSC-639507	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639507	.	.	.	.	259.769	C13H22ClNO2	29.5	299	.	17	1	3	2	"InChI=1S/C13H21NO2.ClH/c1-10(2)12-4-3-11(13(12)15)9-14-5-7-16-8-6-14;/h11H,3-9H2,1-2H3;1H"	CC(=C1CCC(C1=O)CN2CCOCC2)C.Cl	CEWDGQWYMRDUIT-UHFFFAOYSA-N
DG53887	2-Cyclopentylidene-5-(piperidin-1-ylmethyl)cyclopentan-1-one;hydrochloride	368460	NSC639508; CHEMBL1996996; NSC-639508	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639508	.	.	.	.	283.83	C16H26ClNO	20.3	344	.	19	1	2	2	"InChI=1S/C16H25NO.ClH/c18-16-14(12-17-10-4-1-5-11-17)8-9-15(16)13-6-2-3-7-13;/h14H,1-12H2;1H"	C1CCN(CC1)CC2CCC(=C3CCCC3)C2=O.Cl	XVAPHLYEMBPCME-UHFFFAOYSA-N
DG53888	Diethoxybis{2-[phenyl(iminomethyl)]phenolato}titanium(IV)	368529	NSC639598; NSC-639598; Diethoxybis{2-[phenyl(iminomethyl)]phenolato}titanium(IV)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639598	.	.	.	.	530.4	C30H30N2O4Ti	117	504	.	37	0	6	8	"InChI=1S/2C13H11NO.2C2H5O.Ti/c2*15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12;2*1-2-3;/h2*1-10,15H;2*2H2,1H3;/q;;2*-1;+4/p-2"	CC[O-].CC[O-].C1=CC=C(C=C1)N=CC2=CC=CC=C2[O-].C1=CC=C(C=C1)N=CC2=CC=CC=C2[O-].[Ti+4]	TYPNNPLGOCCCSQ-UHFFFAOYSA-L
DG53889	"4-Hydroxy-4-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-ylidene)butanoic acid"	368537	"NSC639616; NCIStruc1_001824; NCIStruc2_001162; CHEMBL1742949; ZINC100133568; 4-hydroxy-4-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-ylidene)butanoic acid; Butanoic acid, 4-hydroxy-4-(2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-ylidene)-; NCI60_013134"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639616	.	.	.	.	302.3	C7H10O9S2	161	519	-1	18	2	9	3	"InChI=1S/C7H10O9S2/c8-5(1-2-6(9)10)7-17(11,12)15-3-4-16-18(7,13)14/h8H,1-4H2,(H,9,10)"	C1COS(=O)(=O)C(=C(CCC(=O)O)O)S(=O)(=O)O1	NTIJLEYEJKRHEJ-UHFFFAOYSA-N
DG53890	"2,5-Dibenzyl-2-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride"	368538	NSC639617; CHEMBL1986567; NSC-639617	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639617	.	.	.	.	357.9	C22H28ClNO	20.3	406	.	25	1	2	6	"InChI=1S/C22H27NO.ClH/c1-23(2)17-22(16-19-11-7-4-8-12-19)14-13-20(21(22)24)15-18-9-5-3-6-10-18;/h3-12,20H,13-17H2,1-2H3;1H"	CN(C)CC1(CCC(C1=O)CC2=CC=CC=C2)CC3=CC=CC=C3.Cl	QOZPHQOHBQSRLX-UHFFFAOYSA-N
DG53891	"2-Isopropyl-5,6,7,8-tetrahydro-3,4-phenanthrenedione"	368568	"NSC639661; CHEMBL44483; ZINC1626015; BDBM50458266; NSC-639661; NCI60_013160; 2-Isopropyl-5,6,7,8-tetrahydro-3,4-phenanthrenedione; 2-isopropyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione; 5,6,7,8-Tetrahydro-2-isopropylphenanthrene-3,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639661	.	.	.	.	254.32	C17H18O2	34.1	433	4	19	0	2	1	"InChI=1S/C17H18O2/c1-10(2)14-9-12-8-7-11-5-3-4-6-13(11)15(12)17(19)16(14)18/h7-10H,3-6H2,1-2H3"	CC(C)C1=CC2=C(C3=C(CCCC3)C=C2)C(=O)C1=O	VPXFMBKWKKHRPD-UHFFFAOYSA-N
DG53892	4-Chloro-3-cinnolinol	368587	NSC639683; 4-Chloro-3-cinnolinol; 4-chlorocinnolin-3-ol; SCHEMBL6227884; CHEMBL2000501; NSC-639683; NCI60_013177	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639683	.	.	.	.	180.59	C8H5ClN2O	41.5	363	1.5	12	1	2	0	"InChI=1S/C8H5ClN2O/c9-7-5-3-1-2-4-6(5)10-11-8(7)12/h1-4H,(H,11,12)"	C1=CC2=C(C(=O)NN=C2C=C1)Cl	KPKPESZZAAYPCF-UHFFFAOYSA-N
DG53893	"4,7-Epoxycyclopent[d][1,3]oxazin-2(1H)-one, hexahydro-6,6-bis(phenylmethoxy)-"	368605	"NSC639714; CHEMBL1998805; NSC-639714; 4,7-Epoxycyclopent[d][1,3]oxazin-2(1H)-one, hexahydro-6,6-bis(phenylmethoxy)-; NCI60_013193"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639714	.	.	.	.	367.4	C21H21NO5	66	521	2.7	27	1	5	6	"InChI=1S/C21H21NO5/c23-20-22-17-16-11-21(18(17)26-19(16)27-20,24-12-14-7-3-1-4-8-14)25-13-15-9-5-2-6-10-15/h1-10,16-19H,11-13H2,(H,22,23)"	C1C2C3C(C1(OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC2OC(=O)N3	SFZWSXJPRKAORB-UHFFFAOYSA-N
DG53894	"9,9-Bis-benzyloxy-10-oxa-3,4,5-triaza-tricyclo[5.2.1.02,6]dec-4-ene-3-carboxylic acid benzyl ester"	368615	"NSC639723; CHEMBL1989065; NSC-639723; 9,9-Bis-benzyloxy-10-oxa-3,4,5-triaza-tricyclo[5.2.1.02,6]dec-4-ene-3-carboxylic acid benzyl ester; NCI60_013202"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639723	.	.	.	.	485.5	C28H27N3O5	82	753	4.4	36	0	7	9	"InChI=1S/C28H27N3O5/c32-27(33-17-20-10-4-1-5-11-20)31-25-24(29-30-31)23-16-28(26(25)36-23,34-18-21-12-6-2-7-13-21)35-19-22-14-8-3-9-15-22/h1-15,23-26H,16-19H2"	C1C2C3C(C(C1(OCC4=CC=CC=C4)OCC5=CC=CC=C5)O2)N(N=N3)C(=O)OCC6=CC=CC=C6	IDABUXLYLVKNKN-UHFFFAOYSA-N
DG53895	"[3,4,5-Triacetoxy-6-[3-(4-nitrophenyl)-4-oxo-2-thioxo-quinazolin-1-yl]tetrahydropyran-2-yl]methyl acetate"	368628	"NSC639736; CHEMBL1983404; NSC-639736; NCI60_013215; [3,4,5-triacetoxy-6-[3-(4-nitrophenyl)-4-oxo-2-thioxo-quinazolin-1-yl]tetrahydropyran-2-yl]methyl acetate; 4(1H)-Quinazolinone, 2,3-dihydro-3-(4-nitrophenyl)-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-2-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639736	.	.	.	.	629.6	C28H27N3O12S	216	1170	2.4	44	0	13	11	"InChI=1S/C28H27N3O12S/c1-14(32)39-13-22-23(40-15(2)33)24(41-16(3)34)25(42-17(4)35)27(43-22)30-21-8-6-5-7-20(21)26(36)29(28(30)44)18-9-11-19(12-10-18)31(37)38/h5-12,22-25,27H,13H2,1-4H3"	CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3C(=O)N(C2=S)C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C	IMCLVZVYNASLMC-UHFFFAOYSA-N
DG53896	"[4,5-Diacetoxy-6-(4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-3-yl] acetate"	368630	"NSC639743; CHEMBL1990562; SCHEMBL13037487; NSC-639743; 4(1H)-Quinazolinone, 2,3-dihydro-3-phenyl-2-thioxo-1-(2,3,4-tri-O-acetylpentopyranosyl)-; NCI60_013222; [4,5-diacetoxy-6-(4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-3-yl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639743	.	.	.	.	512.5	C25H24N2O8S	144	891	2.6	36	0	9	8	"InChI=1S/C25H24N2O8S/c1-14(28)33-20-13-32-24(22(35-16(3)30)21(20)34-15(2)29)27-19-12-8-7-11-18(19)23(31)26(25(27)36)17-9-5-4-6-10-17/h4-12,20-22,24H,13H2,1-3H3"	CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=CC=CC=C3C(=O)N(C2=S)C4=CC=CC=C4	QMXBXQXGFBBBFL-UHFFFAOYSA-N
DG53897	"Ethyl 2-(trifluoromethyl)furo[2,3-f][1,2,5]oxadiazolo[3,4-b]quinoxaline-3-carboxylate"	368639	"NSC639752; Ethyl 2-(trifluoromethyl)furo[2,3-f][1,2,5]oxadiazolo[3,4-b]quinoxaline-3-carboxylate; CHEMBL1991030; ethyl trifluoromethyl[ ]carboxylate; NSC-639752; NCI60_013230"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639752	.	.	.	.	352.22	C14H7F3N4O4	104	537	2.7	25	0	11	3	"InChI=1S/C14H7F3N4O4/c1-2-23-13(22)7-5-3-4-6-8(9(5)24-10(7)14(15,16)17)19-12-11(18-6)20-25-21-12/h3-4H,2H2,1H3"	CCOC(=O)C1=C(OC2=C1C=CC3=NC4=NON=C4N=C32)C(F)(F)F	ZXRGCTVMURJHPE-UHFFFAOYSA-N
DG53898	ethyl N-[5-(pyrrol-1-ylmethyl)-1H-benzimidazol-2-yl]carbamate	368640	NSC639754; MLS002701696; NCIMech_000587; Neuro_000305; CHEMBL1720926; ZINC8653394; CCG-35715; NSC-639754; NCI60_013231; SMR001565294; ethyl N-[5-(pyrrol-1-ylmethyl)-1H-benzimidazol-2-yl]carbamate; Ethyl [5-(1H-pyrrol-1-ylmethyl)-1H-benzimidazol-2-yl]carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639754	.	.	.	.	284.31	C15H16N4O2	71.9	360	2.1	21	2	3	5	"InChI=1S/C15H16N4O2/c1-2-21-15(20)18-14-16-12-6-5-11(9-13(12)17-14)10-19-7-3-4-8-19/h3-9H,2,10H2,1H3,(H2,16,17,18,20)"	CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)CN3C=CC=C3	XBJXAIXJEHJPKE-UHFFFAOYSA-N
DG53899	1-(2-Aminoethyl)-4-(tritylamino)pyrimidin-2-one	368672	NSC639790; 1-(2-aminoethyl)-4-(tritylamino)pyrimidin-2-one; 137871-20-6; SCHEMBL8577309; 1-(2-Aminoethyl)-4-(tritylamino)-2(1H)-pyrimidinone; CHEMBL1968902; DTXSID60327260; NSC-639790; NCI60_013236	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639790	.	.	.	.	396.5	C25H24N4O	70.7	580	3	30	2	2	7	"InChI=1S/C25H24N4O/c26-17-19-29-18-16-23(27-24(29)30)28-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-16,18H,17,19,26H2,(H,27,28,30)"	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)N(C=C4)CCN	RGHBZBPTJLDUKC-UHFFFAOYSA-N
DG53900	1-[2-[2-[2-Oxo-4-(tritylamino)pyrimidin-1-yl]ethylamino]ethyl]-4-(tritylamino)pyrimidin-2-one	368678	NSC639796; CHEMBL1980224; NSC-639796; 1-[2-[2-[2-oxo-4-(tritylamino)pyrimidin-1-yl]ethylamino]ethyl]-4-(tritylamino)pyrimidin-2-one; NCI60_013242; 1-(2-((2-(2-Oxo-4-(tritylamino)-1(2H)-pyrimidinyl)ethyl)amino)ethyl)-4-(tritylamino)-2(1H)-pyrimidinone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639796	.	.	.	.	775.9	C50H45N7O2	101	1280	7.3	59	3	3	16	"InChI=1S/C50H45N7O2/c58-47-52-45(54-49(39-19-7-1-8-20-39,40-21-9-2-10-22-40)41-23-11-3-12-24-41)31-35-56(47)37-33-51-34-38-57-36-32-46(53-48(57)59)55-50(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-32,35-36,51H,33-34,37-38H2,(H,52,54,58)(H,53,55,59)"	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)N(C=C4)CCNCCN5C=CC(=NC5=O)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8	YHURRSCVZIYTJY-UHFFFAOYSA-N
DG53901	"Tert-butyl 5-oxo-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate"	368687	"NSC639819; Tert-butyl 5-oxo-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate; CHEMBL1990123; NSC-639819; NCI60_013247"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639819	.	.	.	.	253.25	C11H15N3O4	80.6	442	0.6	18	0	6	2	"InChI=1S/C11H15N3O4/c1-11(2,3)18-10(16)14-8-6-4-5(15)9(17-6)7(8)12-13-14/h6-9H,4H2,1-3H3"	CC(C)(C)OC(=O)N1C2C3CC(=O)C(C2N=N1)O3	QKGHBSABFITENT-UHFFFAOYSA-N
DG53902	"[7-(Ethoxycarbonylamino)-3-oxo-4,8-dioxabicyclo[3.2.1]octan-6-yl] acetate"	368693	"NSC639825; CHEMBL1977334; [7-(ethoxycarbonylamino)-3-oxo-4,8-dioxabicyclo[3.2.1]octan-6-yl] acetate; NSC-639825; Acetic acid 6-ethoxycarbonylamino-3-oxo-2,8-dioxa-bicyclo[3.2.1]oct-7-yl ester; NCI60_013253"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639825	.	.	.	.	273.24	C11H15NO7	100	397	-0.2	19	1	7	5	"InChI=1S/C11H15NO7/c1-3-16-11(15)12-8-6-4-7(14)19-10(18-6)9(8)17-5(2)13/h6,8-10H,3-4H2,1-2H3,(H,12,15)"	CCOC(=O)NC1C2CC(=O)OC(C1OC(=O)C)O2	OVZBJPNETDXDFI-UHFFFAOYSA-N
DG53903	2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]carbamoyl]benzamide	368696	"NSC639828; 134742-26-0; MLS002702920; ANTINEOPLASTIC-639828; 2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]carbamoyl]benzamide; 2-AMINO-N-[[4-(5-BROMOPYRIMIDIN-2-YL)OXY-3-CHLORO-PHENYL]CARBAMOYL]BEN ZAMIDE; NCIMech_000642; SCHEMBL9138453; CHEMBL1906290; DTXSID40327263; ZINC1626087; CCG-35924; NSC-639828; BENZAMIDE,2-AMINO-N-[[[4-[(5-BROMO-2-PYRIMIDINYL)OXY]-3-CHLOROPHENYL]AMINO]CARBONYL]-; NCI60_013256; SMR001566735; HY-145330; 1-(2-Aminobenzoyl)-3-[3-chloro-4-(5-bromopyrimidine-2-yloxy)phenyl]urea; Benzamide, 2-amino-N-[[[4-[(5-bromo-2-pyrimidinyl)oxy]- 3-chlorophenyl]amino]carbonyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639828	.	.	.	.	462.7	C18H13BrClN5O3	119	549	4.3	28	3	6	4	"InChI=1S/C18H13BrClN5O3/c19-10-8-22-18(23-9-10)28-15-6-5-11(7-13(15)20)24-17(27)25-16(26)12-3-1-2-4-14(12)21/h1-9H,21H2,(H2,24,25,26,27)"	C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)Cl)N	LRPFTPYFADHGQJ-UHFFFAOYSA-N
DG53904	N-(((4-((5-Bromo-2-pyrimidinyl)oxy)-3-methylphenyl)amino)carbonyl)-2-(dimethylamino)benzamide	368697	"NSC-639829; 134742-19-1; NSC639829; UNII-7T0503X2CJ; 7T0503X2CJ; N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(dimethylamino)benzamide; N-(((4-((5-Bromo-2-pyrimidinyl)oxy)-3-methylphenyl)amino)carbonyl)-2-(dimethylamino)benzamide; Benzamide, N-[[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-methylphenyl]amino]carbonyl]-2-(dimethylamino)-; Benzamide, N-(((4-((5-bromo-2-pyrimidinyl)oxy)-3-methylphenyl)amino)carbonyl)-2-(dimethylamino)-; Neuro_000306; SCHEMBL895822; CHEMBL306688; DTXSID70928742; N-[4-(5-Bromo-2-pyrimidinyloxy)-3-methylphenyl]-N'-[2-(dimethylamino)benzoyl]urea; NCI60_013257; N-[4-(5-bromo-2-pyrimidinyloxy)-3methylphenyl]-N'-[2-(dimethylamino)benzoyl]urea; N-({4-[(5-Bromopyrimidin-2-yl)oxy]-3-methylphenyl}carbamoyl)-2-(dimethylamino)benzene-1-carboximidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639829	.	.	.	.	470.3	C21H20BrN5O3	96.4	585	4.2	30	2	6	5	"InChI=1S/C21H20BrN5O3/c1-13-10-15(8-9-18(13)30-21-23-11-14(22)12-24-21)25-20(29)26-19(28)16-6-4-5-7-17(16)27(2)3/h4-12H,1-3H3,(H2,25,26,28,29)"	CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2N(C)C)OC3=NC=C(C=N3)Br	JNGQUJZDVFZPEN-UHFFFAOYSA-N
DG53905	8-Bromo-2-phenyl-1-aza-azulene	368742	"8-Bromo-2-phenyl-1-aza-azulene; 121505-49-5; NSC639896; 8-Bromo-2-phenylcyclohepta(b)pyrrole; 8-Bromo-2-phenylcyclohepta[b]pyrrole; NSC 639896; CHEMBL1994234; DTXSID20153289; ZINC1626122; 2-Phenyl-8-bromocyclohepta[b]pyrrole; 8-bromo-2-phenyl-cyclohepta[b]pyrrole; AKOS025394262; NSC-639896; Cyclohepta[b]pyrrole, 8-bromo-2-phenyl-; NCI60_013290; {Cyclohepta[b]pyrrole,} 8-bromo-2-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639896	.	.	.	.	284.15	C15H10BrN	12.9	249	4.2	17	0	1	1	InChI=1S/C15H10BrN/c16-13-9-5-4-8-12-10-14(17-15(12)13)11-6-2-1-3-7-11/h1-10H	C1=CC=C(C=C1)C2=CC3=CC=CC=C(C3=N2)Br	QNMUGGOJOCUOBL-UHFFFAOYSA-N
DG53906	"4,7-Methano-1,2-benzisoxazole, 3a,4,5,6,7,7a-hexahydro-3-phenyl-"	368746	"NSC639900; 4,7-Methano-1,2-benzisoxazole, 3a,4,5,6,7,7a-hexahydro-3-phenyl-; CHEMBL1998557; NSC-639900; NCI60_013291; 3-Phenyl-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzisoxazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639900	.	.	.	.	213.27	C14H15NO	21.6	319	3.2	16	0	2	1	"InChI=1S/C14H15NO/c1-2-4-9(5-3-1)13-12-10-6-7-11(8-10)14(12)16-15-13/h1-5,10-12,14H,6-8H2"	C1CC2CC1C3C2ON=C3C4=CC=CC=C4	YNXKJMWFYRXAGQ-UHFFFAOYSA-N
DG53907	"Methyl 3-(4-chlorophenyl)-4,5-dihydro-5-isoxazolecarboxylate"	368752	"91258-47-8; Methyl 3-(4-chlorophenyl)-4,5-dihydro-5-isoxazolecarboxylate; methyl 3-(4-chlorophenyl)-4,5-dihydroisoxazole-5-carboxylate; NSC639906; methyl 3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate; Bionet2_001484; 5-isoxazolecarboxylic acid, 3-(4-chlorophenyl)-4,5-dihydro-, methyl ester; MLS000721430; CHEMBL1979711; SCHEMBL10388905; HMS1368E02; HMS2622I20; MFCD02185946; STK352787; AKOS005102094; 8M-327S; MCULE-2328654110; NSC-639906; NCI60_013297; SMR000337053; CS-0315409; A916359"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639906	.	.	.	.	239.65	C11H10ClNO3	47.9	298	2.4	16	0	4	3	"InChI=1S/C11H10ClNO3/c1-15-11(14)10-6-9(13-16-10)7-2-4-8(12)5-3-7/h2-5,10H,6H2,1H3"	COC(=O)C1CC(=NO1)C2=CC=C(C=C2)Cl	DXIMZWAUSHENSG-UHFFFAOYSA-N
DG53908	"3-(3-nitrophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole"	368758	"NSC639912; CHEMBL1982939; NSC-639912; NCI60_013303; 3-(3-nitrophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole; 3-(3-(Hydroxy(oxido)amino)phenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639912	.	.	.	.	232.23	C12H12N2O3	67.4	350	2.6	17	0	4	1	"InChI=1S/C12H12N2O3/c15-14(16)9-4-1-3-8(7-9)12-10-5-2-6-11(10)17-13-12/h1,3-4,7,10-11H,2,5-6H2"	C1CC2C(C1)ON=C2C3=CC(=CC=C3)[N+](=O)[O-]	HYXSUUJIDDVYQH-UHFFFAOYSA-N
DG53909	2-Cyclopentylidene-5-[(dimethylamino)methyl]cyclopentan-1-one	368780	NSC639980; CHEMBL1990018; NSC-639980; NCI60_013318	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639980	.	.	.	.	207.31	C13H21NO	20.3	283	1.9	15	0	2	2	"InChI=1S/C13H21NO/c1-14(2)9-11-7-8-12(13(11)15)10-5-3-4-6-10/h11H,3-9H2,1-2H3"	CN(C)CC1CCC(=C2CCCC2)C1=O	IDAOINVXJKIMPD-UHFFFAOYSA-N
DG53910	"5-Hydroxy-1,3a,8-trimethyl-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indol-2(1H)-one"	368806	"NSC640071; 5-Hydroxy-1,3a,8-trimethyl-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indol-2(1H)-one; CHEMBL1973437; 7-hydroxy-3,4,8b-trimethyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one; NSC-640071; NCI60_013328; Pyrrolo[2, 1,2,3,3a-tetrahydro-5-hydroxy- 1,3a,8-trimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640071	.	.	.	.	232.28	C13H16N2O2	43.8	359	1.4	17	1	3	0	"InChI=1S/C13H16N2O2/c1-13-7-11(17)15(3)12(13)14(2)10-5-4-8(16)6-9(10)13/h4-6,12,16H,7H2,1-3H3"	CC12CC(=O)N(C1N(C3=C2C=C(C=C3)O)C)C	OUOZACPLMOXOSK-UHFFFAOYSA-N
DG53911	"2-(2-(2-Ethyl-4-methylene-5-oxotetrahydro-2-furanyl)ethyl)-1H-isoindole-1,3(2H)-dione"	368843	"NSC640168; 2-(2-(2-Ethyl-4-methylene-5-oxotetrahydro-2-furanyl)ethyl)-1H-isoindole-1,3(2H)-dione; CHEMBL1998489; NSC-640168; NCI60_013363; 2-[2-(2-ethyl-4-methylene-5-oxo-tetrahydrofuran-2-yl)ethyl]isoindoline-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640168	.	.	.	.	299.32	C17H17NO4	63.7	517	2.6	22	0	4	4	"InChI=1S/C17H17NO4/c1-3-17(10-11(2)16(21)22-17)8-9-18-14(19)12-6-4-5-7-13(12)15(18)20/h4-7H,2-3,8-10H2,1H3"	CCC1(CC(=C)C(=O)O1)CCN2C(=O)C3=CC=CC=C3C2=O	NMDBGGUDFHJHAV-UHFFFAOYSA-N
DG53912	"ZINC;5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;iodide"	368851	NSC640187; NSC-640187	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640187	.	.	.	.	869.1	C44H36IN8Zn+3	42.2	1370	.	54	0	5	4	"InChI=1S/C44H36N8.HI.Zn/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;;/h5-28H,1-4H3;1H;/q+2;;+2/p-1"	C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)[N-]3.[Zn+2].[I-]	KUFJQUNMPRCYPL-UHFFFAOYSA-M
DG53913	"4,4,5,5-Tetraphenyl-1,3,2-dioxathiolane 2-oxide"	368852	"NSC640188; 4,4,5,5-Tetraphenyl-1,3,2-dioxathiolane 2-oxide; CHEMBL2004201; DTXSID00327264; NSC-640188; 34737-62-7; NCI60_013372"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640188	.	.	.	.	412.5	C26H20O3S	54.7	495	6	30	0	4	4	"InChI=1S/C26H20O3S/c27-30-28-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(29-30,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H"	C1=CC=C(C=C1)C2(C(OS(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5	PTYZVNIRLCVZBR-UHFFFAOYSA-N
DG53914	"1,2-Bis(2-methoxyphenyl)-1,2-diphenyl-1,2-ethanediol"	368855	"NSC640190; 1,2-Bis(2-methoxyphenyl)-1,2-diphenyl-1,2-ethanediol; CHEMBL1973248; NSC-640190; NCI60_013374; 1,2-Diphenyl-1,2-bis(2-methoxyphenyl)ethylene glycol; 1,2-bis(2-methoxyphenyl)-1,2-diphenyl-ethane-1,2-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640190	.	.	.	.	426.5	C28H26O4	58.9	520	4.8	32	2	4	7	"InChI=1S/C28H26O4/c1-31-25-19-11-9-17-23(25)27(29,21-13-5-3-6-14-21)28(30,22-15-7-4-8-16-22)24-18-10-12-20-26(24)32-2/h3-20,29-30H,1-2H3"	COC1=CC=CC=C1C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=CC=C4OC)O)O	CHYBDRLMZGZGPI-UHFFFAOYSA-N
DG53915	"6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione"	368857	"NSC640192; 6-phenylsulfanylbenzo[7]annulene-1,4,7-trione; 138168-40-8; 6-(Phenylthio)-1H-benzo[a]cycloheptene-1,4,7-trione; CHEMBL1977156; SCHEMBL15668419; DTXSID20327266; ZINC1626231; NSC-640192; NCI60_013375; 6-Phenylthio-7H-benzocycloheptene-1,7-trione; 6-Phenylthio-7H-benzocycloheptene-1,4,7-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640192	.	.	.	.	294.3	C17H10O3S	76.5	628	2.8	21	0	4	2	InChI=1S/C17H10O3S/c18-14-8-9-15(19)13-10-17(16(20)7-6-12(13)14)21-11-4-2-1-3-5-11/h1-10H	C1=CC=C(C=C1)SC2=CC3=C(C=CC2=O)C(=O)C=CC3=O	UNYVVXCBULOCHL-UHFFFAOYSA-N
DG53916	Rebeccamycin analog	368860	"NSC640199; Bmy 27557; Rebeccamycin analog; NSC 655649; XL 119;BMS 181176; BMY 27557; Rebeccamycin derivative; SCHEMBL5953888; CHEMBL1981910; ANTINEOPLASTIC-D640199; 6 N-Diethylaminoethyl rebeccamycin; 1,11-dichloro-6-[2-(diethylamino)ethyl]-12-(4-O-methyl-beta-D-glucopyranosyl)-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione; NSC655649; NSC-640199; NCI60_013377; DS-016057; J-004174; 5H-Indolo[2,4-c]carbazole-5,7(6H)-dione, 1,11-.beta.-D-glucopyranosyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640199	.	.	.	.	669.5	C33H34Cl2N4O7	141	1150	3.6	46	4	8	8	"InChI=1S/C33H34Cl2N4O7/c1-4-37(5-2)12-13-38-31(43)22-20-15-8-6-10-17(34)24(15)36-25(20)27-21(23(22)32(38)44)16-9-7-11-18(35)26(16)39(27)33-29(42)28(41)30(45-3)19(14-40)46-33/h6-11,19,28-30,33,36,40-42H,4-5,12-14H2,1-3H3"	CCN(CC)CCN1C(=O)C2=C3C4=C(C(=CC=C4)Cl)NC3=C5C(=C2C1=O)C6=C(N5C7C(C(C(C(O7)CO)OC)O)O)C(=CC=C6)Cl	JSKFWUPVIZYJMR-UHFFFAOYSA-N
DG53917	"3,4-Bis(benzoyloxy)-5-(3-cyano-4-(2-furyl)-6-(4-methylphenyl)-2-oxo-1(2H)-pyridinyl)tetrahydro-2-furanyl benzoate"	368881	"NSC640226; CHEMBL1994152; NSC-640226; 3,4-Bis(benzoyloxy)-5-(3-cyano-4-(2-furyl)-6-(4-methylphenyl)-2-oxo-1(2H)-pyridinyl)tetrahydro-2-furanyl benzoate; NCI60_013403; [4,5-dibenzoyloxy-2-[3-cyano-4-(2-furyl)-2-oxo-6-(p-tolyl)-1-pyridyl]tetrahydrofuran-3-yl] benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640226	.	.	.	.	706.7	C42H30N2O9	145	1470	7.3	53	0	10	12	"InChI=1S/C42H30N2O9/c1-26-19-21-27(22-20-26)33-24-31(34-18-11-23-49-34)32(25-43)37(45)44(33)38-35(50-39(46)28-12-5-2-6-13-28)36(51-40(47)29-14-7-3-8-15-29)42(52-38)53-41(48)30-16-9-4-10-17-30/h2-24,35-36,38,42H,1H3"	CC1=CC=C(C=C1)C2=CC(=C(C(=O)N2C3C(C(C(O3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C#N)C7=CC=CO7	NNAZKQHSNHTJPW-UHFFFAOYSA-N
DG53918	NSC640326	368921	"3,10,10c-Trimethyl-5-methylene-2,3,4b,5,6,7,10b,10c-octahydrooxireno[2'',3'':6',7']indeno[5',4':3,4]cyclohepta[1,2-b]furan-4(1aH)-one; NSC640326; 3,10,10c-Trimethyl-5-methylene-2,3,4b,5,6,7,10b,10c-octahydrooxireno[2'',3'':6',7']indeno[5',4':3,4]cyclohepta[1,2-b]furan-4(1aH)-one; CHEMBL1973709; NSC-640326; NCI60_013436"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640326	.	.	.	.	310.4	C20H22O3	42.7	647	2.1	23	0	3	0	"InChI=1S/C20H22O3/c1-9-5-6-13-14(11(3)8-22-13)17-15(9)16-12(7-10(2)18(16)21)19-20(17,4)23-19/h8,10,15,17,19H,1,5-7H2,2-4H3"	CC1CC2=C(C1=O)C3C(C4=C(CCC3=C)OC=C4C)C5(C2O5)C	NYOZISPQGMMMQQ-UHFFFAOYSA-N
DG53919	Culmorin	368926	"Culmorin; NSC640334; 18374-83-9; CHEMBL1398262; NSC-640334; NCGC00095951-01; NCI60_013442; 1,4-Methanoazulene-3,9-diol, decahydro-1,5,5,8a-tetramethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640334	.	.	.	.	238.37	C15H26O2	40.5	351	3.3	17	2	2	0	"InChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)10-9(16)8-15(14,4)12(17)11(10)13/h9-12,16-17H,5-8H2,1-4H3"	CC1(CCCC2(C3C1C(C2(CC3O)C)O)C)C	VWMGBHVRRNKOAE-UHFFFAOYSA-N
DG53920	"2,5-Bis((dimethylamino)methyl)cyclopentanone hydrochloride"	368963	"2,5-Bis((dimethylamino)methyl)cyclopentanone hydrochloride; 6333-22-8; CHEMBL1981431; DTXSID40327268; NSC38522; NSC-38522; NSC131233; NSC-131233; Cyclopentanone,5-bis[(dimethylamino)methyl]-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131233	.	.	.	.	234.76	C11H23ClN2O	23.6	182	.	15	1	3	4	"InChI=1S/C11H22N2O.ClH/c1-12(2)7-9-5-6-10(11(9)14)8-13(3)4;/h9-10H,5-8H2,1-4H3;1H"	CN(C)CC1CCC(C1=O)CN(C)C.Cl	ZVXGOLVRKYRGHM-UHFFFAOYSA-N
DG53921	"Methyl 2,5-dihydrothiophene-3-carboxylate 1,1-dioxide"	368979	"67488-50-0; methyl 2,5-dihydrothiophene-3-carboxylate 1,1-dioxide; 3-Methoxycarbonyl-3-sulfolene; Methyl 3-sulfolene-3-carboxylate; 3-Methoxycarbonyl-3-sulpholene; methyl 1,1-dioxo-2,5-dihydrothiophene-3-carboxylate; NSC640439; 3-Sulfolene-3-carboxylic Acid Methyl Ester; 2,5-Dihydro-3-methoxycarbonylthiophene 1,1-Dioxide; C6H8O4S; 3-Methoxycarbonyl-2,5-dihydrothiophene-1,1-dioxide; 3-carbomethoxysulpholene; 3-Methoxycarbonyl-2,1-dioxide; SCHEMBL2738384; CHEMBL1970243; ZINC156935; 3-Thiophenecarboxylic acid, 2,5-dihydro-, methyl ester, 1,1-dioxide; MFCD00042754; 3-Methoxycarbonyl-3-sulfolene, 98%; AKOS002679151; AKOS016047719; MCULE-1609587717; NSC-640439; AS-69332; NCI60_013479; DB-055038; FT-0615998; Z3228; T72818; A835774; Methyl 3-sulfolene-3-carboxylate, >=98.0% (S); Methyl 2,5-dihydrothiophene-3-carboxylate1,1-dioxide; methyl 1,1-dioxido-2,5-dihydrothiophene-3-carboxylate; Methyl 2,5-dihydro-3-thiophenecarboxylate 1,1-dioxide; 3-Methoxycarbonyl-2,5-dihydrothiophene-1,1-dioxide67488-50-0; METHYL 1,1-DIOXO-2,5-DIHYDRO-1  -THIOPHENE-3-CARBOXYLATE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640439	.	.	.	.	176.19	C6H8O4S	68.8	293	-0.6	11	0	4	2	"InChI=1S/C6H8O4S/c1-10-6(7)5-2-3-11(8,9)4-5/h2H,3-4H2,1H3"	COC(=O)C1=CCS(=O)(=O)C1	YHHZABJZHHCDNW-UHFFFAOYSA-N
DG53922	"Ethanol, 2-(4-[2,2':6',2''-terpyridin]-4'-ylphenoxy)-"	368990	"127192-72-7; Ethanol, 2-(4-[2,2':6',2''-terpyridin]-4'-ylphenoxy)-; NSC640499; 2-(4-([2,2':6',2''-Terpyridin]-4'-yl)phenoxy)ethanol; NCIChal_000015; NCIMech_000706; Neuro_000309; SCHEMBL9221156; 2-[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenoxy]ethanol; CHEMBL1992952; DTXSID00327269; CCG-35793; CCG-36205; MFCD30533850; ZINC12943499; AKOS028111404; NSC-640499; AS-69238; NCI60_013492; Ethanol,2':6',2''-terpyridin-4'-yl)phenoxy]-; 2,2''-Terpyridine, 4'-[4-(2-hydroxyethoxy)phenyl]-; 2-[4-[2,6-bis(2-pyridyl)-4-pyridyl]phenoxy]ethanol; 2-(4-[2,2':6',2''-Terpyridin]-4'-ylphenoxy)-ethanol; 4'-[4-(2-Hydroxyethoxy)phenyl]-2,2':6',2''-terpyridine; Ethanol, {2-[4-(2,2':6',2-terpyridin-4'-yl)phenoxy]-}; 2,2':6', 2-Terpyridine, {4'-[4-(2-hydroxyethoxy)phenyl]-}; 2-{4-[6-(pyridin-2-yl)-[2,2'-bipyridin]-4-yl]phenoxy}ethan-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640499	.	.	.	.	369.4	C23H19N3O2	68.1	429	3	28	1	5	6	"InChI=1S/C23H19N3O2/c27-13-14-28-19-9-7-17(8-10-19)18-15-22(20-5-1-3-11-24-20)26-23(16-18)21-6-2-4-12-25-21/h1-12,15-16,27H,13-14H2"	C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)OCCO	ITTHDGHSDFMYOE-UHFFFAOYSA-N
DG53923	"1-Hexanol, 6-(4-[2,2':6',2''-terpyridin]-4'-ylphenoxy)-"	368991	"NSC640500; 1-Hexanol, 6-(4-[2,2':6',2''-terpyridin]-4'-ylphenoxy)-; Neuro_000310; CHEMBL1990406; NSC-640500; NCI60_013493; 6-[4-[2,6-bis(2-pyridyl)-4-pyridyl]phenoxy]hexan-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640500	.	.	.	.	425.5	C27H27N3O2	68.1	485	4.4	32	1	5	10	"InChI=1S/C27H27N3O2/c31-17-7-1-2-8-18-32-23-13-11-21(12-14-23)22-19-26(24-9-3-5-15-28-24)30-27(20-22)25-10-4-6-16-29-25/h3-6,9-16,19-20,31H,1-2,7-8,17-18H2"	C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)OCCCCCCO	VWHWBZIOTDAZAF-UHFFFAOYSA-N
DG53924	"10,11-Dihydropyrimido[1,2-a]perimidin-9(7H)-one"	369000	"NSC640520; 10,11-Dihydropyrimido[1,2-a]perimidin-9(7H)-one; 10,11-dihydro-7H-pyrimido[1,2-a]perimidin-9-one; CHEMBL1983476; ZINC5581536; NSC-640520; NCI60_013497; 10,11-Dihydropyrimido[1,2-a]perimidin-9(8H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640520	.	.	.	.	237.26	C14H11N3O	44.7	406	1.6	18	1	1	0	"InChI=1S/C14H11N3O/c18-12-7-8-17-11-6-2-4-9-3-1-5-10(13(9)11)15-14(17)16-12/h1-6H,7-8H2,(H,15,16,18)"	C1CN2C3=CC=CC4=C3C(=CC=C4)NC2=NC1=O	QRSYZKHUGDLCAB-UHFFFAOYSA-N
DG53925	"2-(4-Chlorophenyl)-5,7,7-trimethyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine"	369063	"NSC640620; 2-(4-Chlorophenyl)-5,7,7-trimethyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine; CHEMBL1975753; ZINC1626327; 2-(4-chlorophenyl)-5,7,7-trimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine; NSC-640620; NCI60_013556"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640620	.	.	.	.	291.8	C14H14ClN3S	53.3	473	3.8	19	0	3	1	"InChI=1S/C14H14ClN3S/c1-9-8-14(2,3)16-13-18(9)17-12(19-13)10-4-6-11(15)7-5-10/h4-8H,1-3H3"	CC1=CC(N=C2N1N=C(S2)C3=CC=C(C=C3)Cl)(C)C	XVWKBEBKZMDXKW-UHFFFAOYSA-N
DG53926	"4-(5,7,7-Trimethyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)aniline"	369067	"NSC640624; 4-(5,7,7-Trimethyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)aniline; NCIMech_000349; CHEMBL1982846; ZINC1626331; CCG-35678; ZINC01626331; 4-(5,7,7-trimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)aniline; NSC-640624; NCI60_013559; 4-(5,7,7-Trimethyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)phenylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640624	.	.	.	.	272.37	C14H16N4S	79.3	470	2.5	19	1	4	1	"InChI=1S/C14H16N4S/c1-9-8-14(2,3)16-13-18(9)17-12(19-13)10-4-6-11(15)7-5-10/h4-8H,15H2,1-3H3"	CC1=CC(N=C2N1N=C(S2)C3=CC=C(C=C3)N)(C)C	NTIMRUPYHLCCOG-UHFFFAOYSA-N
DG53927	"3-(2-Chlorophenyl)-6,8,8-trimethyl-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepine"	369068	"NSC640625; CHEMBL1996622; NSC-640625; 3-(2-chlorophenyl)-6,8,8-trimethyl-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepine; NCI60_013560; 3-(2-Chlorophenyl)-6,8,8-trimethyl-7,8-dihydro-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazepine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640625	.	.	.	.	289.76	C14H16ClN5	55.1	397	2.5	20	1	4	1	"InChI=1S/C14H16ClN5/c1-9-8-14(2,3)16-13-18-17-12(20(13)19-9)10-6-4-5-7-11(10)15/h4-7H,8H2,1-3H3,(H,16,18)"	CC1=NN2C(=NN=C2NC(C1)(C)C)C3=CC=CC=C3Cl	LCFJTMFEACPMQU-UHFFFAOYSA-N
DG53928	"[5-(5-Amino-4-cyano-oxazol-2-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate"	369087	"NSC640644; CHEMBL1982564; NSC-640644; NCI60_013578; [5-(5-amino-4-cyano-oxazol-2-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate; Pentitol, 1-C-(5-amino-4-cyano-2-oxazolyl)-1,4-anhydro-, 2,3,5-tribenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640644	.	.	.	.	553.5	C30H23N3O8	164	966	4.9	41	1	11	11	"InChI=1S/C30H23N3O8/c31-16-21-26(32)41-27(33-21)25-24(40-30(36)20-14-8-3-9-15-20)23(39-29(35)19-12-6-2-7-13-19)22(38-25)17-37-28(34)18-10-4-1-5-11-18/h1-15,22-25H,17,32H2"	C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)C3=NC(=C(O3)N)C#N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5	AAMHRRKVUVKDOK-UHFFFAOYSA-N
DG53929	2-(Anilinomethyl)-6-bromo-3-phenylquinazolin-4-one	369091	NSC640648; CHEMBL1984743; NSC-640648; NCI60_013582	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640648	.	.	.	.	406.3	C21H16BrN3O	44.7	525	4.8	26	1	3	4	"InChI=1S/C21H16BrN3O/c22-15-11-12-19-18(13-15)21(26)25(17-9-5-2-6-10-17)20(24-19)14-23-16-7-3-1-4-8-16/h1-13,23H,14H2"	C1=CC=C(C=C1)NCC2=NC3=C(C=C(C=C3)Br)C(=O)N2C4=CC=CC=C4	LZSGIDMGRSKIQU-UHFFFAOYSA-N
DG53930	2-Chloromethyl-3-(2'-tolyl)-6-bromo-4-quinazolone	369093	NSC640650; CHEMBL1994602; NSC-640650; NCI60_013584; 2-chloromethyl-3-(2' -tolyl)-6-bromo-4-quinazolone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640650	.	.	.	.	363.63	C16H12BrClN2O	32.7	442	3.8	21	0	2	2	"InChI=1S/C16H12BrClN2O/c1-10-4-2-3-5-14(10)20-15(9-18)19-13-7-6-11(17)8-12(13)16(20)21/h2-8H,9H2,1H3"	CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)Br)CCl	CNSVUXFMSQHKRI-UHFFFAOYSA-N
DG53931	"3-Amino-6,8-dibromo-2-(2-chloroethyl)quinazolin-4-one"	369098	NSC640655; CHEMBL1988946; NSC-640655; NCI60_013589	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640655	.	.	.	.	381.45	C10H8Br2ClN3O	58.7	352	2	17	1	3	2	"InChI=1S/C10H8Br2ClN3O/c11-5-3-6-9(7(12)4-5)15-8(1-2-13)16(14)10(6)17/h3-4H,1-2,14H2"	C1=C(C=C(C2=C1C(=O)N(C(=N2)CCCl)N)Br)Br	CGGYRJKBRGHUEX-UHFFFAOYSA-N
DG53932	(6-Bromo-4-oxo-3-phenylquinazolin-2-yl)methyl 2-hydroxybenzoate	369101	NSC640658; CHEMBL1980643; NSC-640658; NCI60_013592	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640658	.	.	.	.	451.3	C22H15BrN2O4	79.2	649	4.9	29	1	5	5	"InChI=1S/C22H15BrN2O4/c23-14-10-11-18-17(12-14)21(27)25(15-6-2-1-3-7-15)20(24-18)13-29-22(28)16-8-4-5-9-19(16)26/h1-12,26H,13H2"	C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)COC(=O)C4=CC=CC=C4O	VBYAWEPFQPSXSF-UHFFFAOYSA-N
DG53933	"N-(3-Chlorophenyl)-3-(4-((2-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide"	369124	"NSC640672; CHEMBL1999272; ZINC5809090; ZINC104290098; NSC-640672; N-(3-Chlorophenyl)-3-(4-((2-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide; NCI60_013604; N-(3-chlorophenyl)-3-[4-[(E)-o-tolylazo]-3,5-diphenyl-pyrazol-1-yl]-3-oxo-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640672	.	.	.	.	534	C31H24ClN5O2	88.7	843	7.8	39	1	5	7	"InChI=1S/C31H24ClN5O2/c1-21-11-8-9-18-26(21)34-35-30-29(22-12-4-2-5-13-22)36-37(31(30)23-14-6-3-7-15-23)28(39)20-27(38)33-25-17-10-16-24(32)19-25/h2-19H,20H2,1H3,(H,33,38)"	CC1=CC=CC=C1N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5	QSTROFQJAAFIMJ-UHFFFAOYSA-N
DG53934	S-phenyl 3-[4-[bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitro-benzoyl)amino]-3-phenylsulfanyl-propanethioate	369126	NSC640674; CHEMBL2007517; NSC-640674; NCI60_013606; S-Phenyl 3-(4-(bis(2-cyanoethyl)amino)phenyl)-2-((2-chloro-5-(hydroxy(oxido)amino)benzoyl)amino)-3-(phenylthio)propanethioate; S-phenyl 3-[4-[bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitro-benzoyl)amino]-3-phenylsulfanyl-propanethioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640674	.	.	.	.	670.2	C34H28ClN5O4S2	193	1080	6.9	46	1	9	14	"InChI=1S/C34H28ClN5O4S2/c35-30-18-17-26(40(43)44)23-29(30)33(41)38-31(34(42)46-28-11-5-2-6-12-28)32(45-27-9-3-1-4-10-27)24-13-15-25(16-14-24)39(21-7-19-36)22-8-20-37/h1-6,9-18,23,31-32H,7-8,21-22H2,(H,38,41)"	C1=CC=C(C=C1)SC(C2=CC=C(C=C2)N(CCC#N)CCC#N)C(C(=O)SC3=CC=CC=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl	UVCFIPGIXHLURX-UHFFFAOYSA-N
DG53935	"N-(2-Chlorophenyl)-3-(4-((4-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide"	369132	"NSC640680; CHEMBL2006868; ZINC5809102; ZINC104290127; NSC-640680; NCI60_013612; N-(2-Chlorophenyl)-3-(4-((4-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide; N-(2-chlorophenyl)-3-[4-[(E)-(4-methoxyphenyl)azo]-3,5-diphenyl-pyrazol-1-yl]-3-oxo-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640680	.	.	.	.	550	C31H24ClN5O3	97.9	854	7.4	40	1	6	8	"InChI=1S/C31H24ClN5O3/c1-40-24-18-16-23(17-19-24)34-35-30-29(21-10-4-2-5-11-21)36-37(31(30)22-12-6-3-7-13-22)28(39)20-27(38)33-26-15-9-8-14-25(26)32/h2-19H,20H2,1H3,(H,33,38)"	COC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC=C4Cl)C5=CC=CC=C5	QDRBXJXNJOWHIG-UHFFFAOYSA-N
DG53936	"1-(4-Methoxy-2-methylphenyl)naphtho[1,2-c]furan-3(1H)-one"	369148	"NSC640735; 1-(4-Methoxy-2-methylphenyl)naphtho[1,2-c]furan-3(1H)-one; CHEMBL1972671; NSC-640735; NCI60_013622; 1-(4-methoxy-2-methyl-phenyl)-1H-benzo[e]isobenzofuran-3-one; 3-(4-Methoxy-2-methylphenyl)naphthol [2,1-c]furan-1(3H)-one; 3-(4-Methoxy-2-methylphenyl)naphthol {[2,1-c]furan-1(3H)-one}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640735	.	.	.	.	304.3	C20H16O3	35.5	448	4.6	23	0	3	2	"InChI=1S/C20H16O3/c1-12-11-14(22-2)8-10-15(12)19-18-16-6-4-3-5-13(16)7-9-17(18)20(21)23-19/h3-11,19H,1-2H3"	CC1=C(C=CC(=C1)OC)C2C3=C(C=CC4=CC=CC=C43)C(=O)O2	IYQMOQGZNJIZEF-UHFFFAOYSA-N
DG53937	"3-(4-Methoxy-2-methylphenyl)naphtho[1,2-c]furan-1(3H)-one"	369149	"NSC640736; 3-(4-Methoxy-2-methylphenyl)naphtho[1,2-c]furan-1(3H)-one; CHEMBL1992449; NSC-640736; NCI60_013623; 3-(4-methoxy-2-methyl-phenyl)-3H-benzo[g]isobenzofuran-1-one; {3-(4-Methoxy-2-methylphenyl)naphtho[1,2-c]furan-1(3H)-one}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640736	.	.	.	.	304.3	C20H16O3	35.5	448	4.6	23	0	3	2	"InChI=1S/C20H16O3/c1-12-11-14(22-2)8-10-15(12)19-17-9-7-13-5-3-4-6-16(13)18(17)20(21)23-19/h3-11,19H,1-2H3"	CC1=C(C=CC(=C1)OC)C2C3=C(C4=CC=CC=C4C=C3)C(=O)O2	PMVCYRWPQFDLEX-UHFFFAOYSA-N
DG53938	Antineoplastic-D640737	369150	"MLS002702921; ANTINEOPLASTIC-D640737; NSC640737; NSC-640737; NCI60_013624; 1H,4':1,6]pyrido[3,4-b]indol-3-one, 5,6,11,11a-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640737	.	.	.	.	380.4	C21H20N2O5	84	589	2.9	28	2	5	3	"InChI=1S/C21H20N2O5/c1-26-16-7-11(8-17(27-2)20(16)24)19-18-14(9-12-10-28-21(25)23(12)19)13-5-3-4-6-15(13)22-18/h3-8,12,19,22,24H,9-10H2,1-2H3/t12-,19 /m0/s1"	COC1=CC(=CC(=C1O)OC)C2C3=C(C[C@@H]4N2C(=O)OC4)C5=CC=CC=C5N3	MIXLRUYCYZPSOQ-HSLMYDHPSA-N
DG53939	"1H-Indol-3-yl(4,4,8-trimethyl-3-azabicyclo[3.3.1]nona-2,7-dien-2-yl)methanone"	369152	"NSC640739; Hobartine, 8-oxo-9-dehydro; 1H-Indol-3-yl(4,4,8-trimethyl-3-azabicyclo[3.3.1]nona-2,7-dien-2-yl)methanone; CHEMBL1983571; NSC-640739; 1H-indol-3-yl-(2,2,6-trimethyl-3-azabicyclo[3.3.1]nona-3,6-dien-4-yl)methanone; NCI60_013626"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640739	.	.	.	.	306.4	C20H22N2O	45.2	574	3	23	1	2	2	"InChI=1S/C20H22N2O/c1-12-8-9-13-10-15(12)18(22-20(13,2)3)19(23)16-11-21-17-7-5-4-6-14(16)17/h4-8,11,13,15,21H,9-10H2,1-3H3"	CC1=CCC2CC1C(=NC2(C)C)C(=O)C3=CNC4=CC=CC=C43	SEFQLMNDSVHUGG-UHFFFAOYSA-N
DG53940	"Benzoic acid, 4-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)azo]-, hydrazide"	369178	"NSC640884; CHEMBL1965335; Benzoic acid, 4-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)azo]-, hydrazide; NSC-640884; NCI60_013634; 4-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)azo]benzohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640884	.	.	.	.	294.31	C15H14N6O	97.1	420	2.8	22	2	5	3	"InChI=1S/C15H14N6O/c1-10-14(21-9-3-2-4-13(21)17-10)20-19-12-7-5-11(6-8-12)15(22)18-16/h2-9H,16H2,1H3,(H,18,22)"	CC1=C(N2C=CC=CC2=N1)N=NC3=CC=C(C=C3)C(=O)NN	DBVOXUIUSFTLGK-UHFFFAOYSA-N
DG53941	"1-tert-Butyl 4-methyl 1,4-cubanedicarboxylate"	369215	"NSC640921; 1-tert-Butyl 4-methyl 1,4-cubanedicarboxylate; CHEMBL1996826; NSC-640921; NCI60_013668; O4-tert-butyl O1-methyl cubane-1,4-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640921	.	.	.	.	262.3	C15H18O4	52.6	495	1	19	0	4	5	"InChI=1S/C15H18O4/c1-13(2,3)19-12(17)15-8-5-9(15)7-10(15)6(8)14(5,7)11(16)18-4/h5-10H,1-4H3"	CC(C)(C)OC(=O)C12C3C4C1C5C2C3C45C(=O)OC	SSXKLFUEFYGJES-UHFFFAOYSA-N
DG53942	"N~1~-(2,4-Dimethoxyphenyl)-N~2~-hydroxyethanediamide"	369235	"NSC640963; CHEMBL2005934; ZINC5497374; NSC-640963; NCI60_013687; N~1~-(2,4-Dimethoxyphenyl)-N~2~-hydroxyethanediamide; N-(2,4-dimethoxyphenyl)-2-(hydroxyamino)-2-oxo-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640963	.	.	.	.	240.21	C10H12N2O5	96.9	284	1.1	17	3	5	3	"InChI=1S/C10H12N2O5/c1-16-6-3-4-7(8(5-6)17-2)11-9(13)10(14)12-15/h3-5,15H,1-2H3,(H,11,13)(H,12,14)"	COC1=CC(=C(C=C1)NC(=O)C(=O)NO)OC	BGLNFZFSWSKTGA-UHFFFAOYSA-N
DG53943	"N-(2,4-dinitrophenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	369255	"NSC640986; CHEMBL1969825; NSC-640986; NCI60_013710; N-(2,4-dinitrophenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide; N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640986	.	.	.	.	539.4	C28H17N3O9	181	1050	5.1	40	1	9	6	"InChI=1S/C28H17N3O9/c32-24(17-10-9-15-5-1-2-6-16(15)13-17)23(26-19-7-3-4-8-20(19)28(35)40-26)25(33)27(34)29-21-12-11-18(30(36)37)14-22(21)31(38)39/h1-14,23,26H,(H,29,34)"	C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]	VFHXGINDQNUEFM-UHFFFAOYSA-N
DG53944	"N-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	369259	"NSC640990; N-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide; CHEMBL2003126; AKOS024423271; MCULE-5365749879; NSC-640990; NCI60_013714; N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640990	.	.	.	.	518.5	C27H19FN2O6S	140	904	4.9	37	1	9	8	"InChI=1S/C27H19FN2O6S/c1-2-35-14-11-12-19-20(13-14)37-27(29-19)30-25(33)23(32)21(22(31)17-9-5-6-10-18(17)28)24-15-7-3-4-8-16(15)26(34)36-24/h3-13,21,24H,2H2,1H3,(H,29,30,33)"	CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C5=CC=CC=C5F	ZELWNOUFNSTJBZ-UHFFFAOYSA-N
DG53945	"Methyl 4-(4-bromoanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate"	369262	"NSC640993; CHEMBL1986634; NSC-640993; Methyl 4-(4-bromoanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate; NCI60_013717; methyl 4-(4-bromoanilino)-2-(6-chloro-3-hydroxy-quinoxalin-2-yl)-3,4-dioxo-butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640993	.	.	.	.	478.7	C19H13BrClN3O5	114	723	3	29	2	6	6	"InChI=1S/C19H13BrClN3O5/c1-29-19(28)14(16(25)18(27)22-11-5-2-9(20)3-6-11)15-17(26)24-13-8-10(21)4-7-12(13)23-15/h2-8,14H,1H3,(H,22,27)(H,24,26)"	COC(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=CC=C(C=C3)Br	AVPUTFDJZWJUFA-UHFFFAOYSA-N
DG53946	"4-[1,1'-Biphenyl]-2-yl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	369263	"NSC640994; 4-[1,1'-Biphenyl]-2-yl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide; CHEMBL1998729; AKOS024426404; MCULE-7939069772; NSC-640994; NCI60_013718; Biphenyl-2-butanamide,3-dihydro-1-oxoisobenzofuran-3-yl)- .alpha.,.gamma.-dioxo-; N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)-4-(2-phenylphenyl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640994	.	.	.	.	576.6	C33H24N2O6S	140	1020	6.4	42	1	8	9	"InChI=1S/C33H24N2O6S/c1-2-40-20-16-17-25-26(18-20)42-33(34-25)35-31(38)29(37)27(30-23-14-8-9-15-24(23)32(39)41-30)28(36)22-13-7-6-12-21(22)19-10-4-3-5-11-19/h3-18,27,30H,2H2,1H3,(H,34,35,38)"	CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C5=CC=CC=C5C6=CC=CC=C6	ZEKACKAXHHKHOA-UHFFFAOYSA-N
DG53947	"1,3,5-Tribenzyl-1,3-dihydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione"	369308	"NSC641062; 1,3,5-Tribenzyl-1,3-dihydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione; SCHEMBL5875112; 1,3,5-tribenzylpyrrolo[3,4-d]imidazole-2,4,6-trione; CHEMBL2004777; NSC-641062; NCI60_013754"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641062	.	.	.	.	423.5	C26H21N3O3	60.9	721	3.4	32	0	3	6	"InChI=1S/C26H21N3O3/c30-24-22-23(25(31)29(24)18-21-14-8-3-9-15-21)28(17-20-12-6-2-7-13-20)26(32)27(22)16-19-10-4-1-5-11-19/h1-15H,16-18H2"	C1=CC=C(C=C1)CN2C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5	OGMWOFMTYNSORS-UHFFFAOYSA-N
DG53948	(-)-Perillyl alcohol	369312	"(-)-Perillyl alcohol; 18457-55-1; (-)-Perillylalcohol; (S)-(-)-Perillyl alcohol; (S)-(4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl)methanol; (S)-Perillyl alcohol; UNII-3UL4QIY642; (S)-p-Mentha-1,8-dien-7-ol; [(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol; 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, (4S)-; p-Mentha-1,8-dien-7-ol; [(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol; (S)-( )-Perillyl alcohol; (S)-4-Isopropenyl-1-cyclohexenylmethanol; Perillic alcohol; 3UL4QIY642; CHEBI:10782; MFCD00062995; NSC-641066; 1-Cyclohexene-1-methanol, 4-(1-methylethenyl); Perycorolle; Dihydrocuminic alcohol; (-)-Perilla alcohol; FEMA No. 2664; (S)-(-)-(4-Isopropenyl-1-cyclohexenyl)methanol; p-Mentha-1,8-diene-7-ol; perillyl-alcohol; (-)-p-Mentha-1,8-dien-7-ol; Dl-perillyl alcohol; (4S)-perillyl alcohol; L-(-)-Perillyl alcohol; bmse000559; MLS002695966; SCHEMBL569985; (S)-( )-Perillyl alcohol ; CHEMBL236687; ZINC3861538; (S)-(-)-Perillyl alcohol, 96%; 9653AA; NSC641066; AKOS016843795; DB15289; LMPR0102090008; AS-57413; NCI60_013758; SMR001562123; (-)-Perillyl alcohol, analytical standard; HY-116514; Perllyl alcohol,(reagent / standard grade); (S)-(-)-Perillyl alcohol, >=95%, FG; CS-0065677; (4-Isopropenyl-1-cyclohexen-1-yl)methanol #; C02452; F16807; A880768; (S)-(4-(prop-1-en-2-yl)cyclohex-1-enyl)methanol; J-011826; J-523912; Q-201271; Q27108674; UNII-319R5C7293 component NDTYTMIUWGWIMO-SNVBAGLBSA-N"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641066	.	.	.	.	152.23	C10H16O	20.2	179	2.1	11	1	1	2	"InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m1/s1"	CC(=C)[C@H]1CCC(=CC1)CO	NDTYTMIUWGWIMO-SNVBAGLBSA-N
DG53949	NSC641076	369320	"(3S,8S,10R,13S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olate;1-phenylbutane-1,3-dione;titanium(4+);hydrochloride; NSC641076; NSC-641076; .cis.-Bis(1-phenylbutane-1,3-dionato)bis(5-pregnene-20-on- 3.beta.-olato)titanium(IV)-hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641076	.	.	.	.	1037.599	C62H81ClO8Ti	149	1850	.	72	1	10	6	"InChI=1S/2C21H31O2.2C10H9O2.ClH.Ti/c2*1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3;2*1-8(11)7-10(12)9-5-3-2-4-6-9;;/h2*4,15-19H,5-12H2,1-3H3;2*2-7H,1H3;1H;/q4*-1;;+4/t2*15-,16-,17+,18 ,19 ,20-,21+;;;;/m00..../s1"	CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[C@H]1CCC2[C@@]1(CCC3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)[O-])C)C.CC(=O)[C@H]1CCC2[C@@]1(CCC3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)[O-])C)C.Cl.[Ti+4]	YFJIIPXBULHACV-PYUPRQTASA-N
DG53950	4-((4-((2-Cyanoethyl)(phenylsulfonyl)amino)-2-methylbenzylidene)amino)benzoic acid	369351	"NSC641106; CHEMBL1975590; ZINC1626601; ZINC17211065; NSC-641106; 4-((4-((2-Cyanoethyl)(phenylsulfonyl)amino)-2-methylbenzylidene)amino)benzoic acid; NCI60_013794; 4-[(E)-[4-[benzenesulfonyl(2-cyanoethyl)amino]-2-methyl-phenyl]methyleneamino]benzoic acid; Benzenesulfonamide, N-[4-[[(4-carboxypheny)imino]methyl]- 3-methylphenyl]-N-(2-cyanoethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641106	.	.	.	.	447.5	C24H21N3O4S	119	799	3.5	32	1	7	8	"InChI=1S/C24H21N3O4S/c1-18-16-22(27(15-5-14-25)32(30,31)23-6-3-2-4-7-23)13-10-20(18)17-26-21-11-8-19(9-12-21)24(28)29/h2-4,6-13,16-17H,5,15H2,1H3,(H,28,29)"	CC1=C(C=CC(=C1)N(CCC#N)S(=O)(=O)C2=CC=CC=C2)C=NC3=CC=C(C=C3)C(=O)O	AAFNJGNFRKFZGE-UHFFFAOYSA-N
DG53951	N-Benzoyl-N-(2-((cyano(phenyl)methylene)amino)phenyl)benzamide	369355	NSC641111; CHEMBL2000156; N-Benzoyl-N-(2-((cyano(phenyl)methylene)amino)phenyl)benzamide; NSC-641111; NCI60_013800; (Z)-N-[2-(dibenzoylamino)phenyl]benzimidoyl cyanide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641111	.	.	.	.	429.5	C28H19N3O2	73.5	718	5.8	33	0	4	5	InChI=1S/C28H19N3O2/c29-20-25(21-12-4-1-5-13-21)30-24-18-10-11-19-26(24)31(27(32)22-14-6-2-7-15-22)28(33)23-16-8-3-9-17-23/h1-19H	C1=CC=C(C=C1)C(=NC2=CC=CC=C2N(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C#N	JVWDUURTIAJSPV-UHFFFAOYSA-N
DG53952	6-((4-Ethoxyphenyl)diazenyl)-N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide	369377	NSC641139; CHEMBL1992599; ZINC17861366; ZINC104290530; NSC-641139; 6-((4-Ethoxyphenyl)diazenyl)-N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide; NCI60_013802; 6-[(E)-(4-ethoxyphenyl)azo]-N-(4-methoxyphenyl)-2-oxo-chromene-3-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641139	.	.	.	.	443.5	C25H21N3O5	98.6	738	5	33	1	7	7	"InChI=1S/C25H21N3O5/c1-3-32-21-11-6-18(7-12-21)27-28-19-8-13-23-16(14-19)15-22(25(30)33-23)24(29)26-17-4-9-20(31-2)10-5-17/h4-15H,3H2,1-2H3,(H,26,29)"	CCOC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)NC4=CC=C(C=C4)OC	FVKXZRYEJHVOSZ-UHFFFAOYSA-N
DG53953	"N-(3-Chlorophenyl)-3-(4-((4-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide"	369380	"NSC641142; CHEMBL1979973; ZINC5809341; ZINC104290551; NSC-641142; NCI60_013805; N-(3-Chlorophenyl)-3-(4-((4-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide; N-(3-chlorophenyl)-3-[4-[(E)-(4-methoxyphenyl)azo]-3,5-diphenyl-pyrazol-1-yl]-3-oxo-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641142	.	.	.	.	550	C31H24ClN5O3	97.9	854	7.4	40	1	6	8	"InChI=1S/C31H24ClN5O3/c1-40-26-17-15-24(16-18-26)34-35-30-29(21-9-4-2-5-10-21)36-37(31(30)22-11-6-3-7-12-22)28(39)20-27(38)33-25-14-8-13-23(32)19-25/h2-19H,20H2,1H3,(H,33,38)"	COC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5	AXRGTLBJYRDFIL-UHFFFAOYSA-N
DG53954	1-Chloro-7-methyl-phenothiazone	369385	1-Chloro-7-methyl-phenothiazone; NSC641149; CHEMBL1992006; 1-chloro-7-methyl-phenothiazin-3-one; NSC-641149; NCI60_013810	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641149	.	.	.	.	261.73	C13H8ClNOS	54.7	466	3.2	17	0	3	0	"InChI=1S/C13H8ClNOS/c1-7-2-3-10-11(4-7)17-12-6-8(16)5-9(14)13(12)15-10/h2-6H,1H3"	CC1=CC2=C(C=C1)N=C3C(=CC(=O)C=C3Cl)S2	GCJIMLPITVEZGE-UHFFFAOYSA-N
DG53955	7-Chloro-1-methyl-phenothiazone	369386	7-Chloro-1-methyl-phenothiazone; NSC641150; CHEMBL1984713; 7-chloro-1-methyl-phenothiazin-3-one; NSC-641150; NCI60_013811	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641150	.	.	.	.	261.73	C13H8ClNOS	54.7	466	3	17	0	3	0	"InChI=1S/C13H8ClNOS/c1-7-4-9(16)6-12-13(7)15-10-3-2-8(14)5-11(10)17-12/h2-6H,1H3"	CC1=CC(=O)C=C2C1=NC3=C(S2)C=C(C=C3)Cl	VNTZUMCHJBZCGI-UHFFFAOYSA-N
DG53956	"1,2-Dimethyl-phenothiazone"	369387	"1,2-Dimethyl-phenothiazone; NSC641151; 1,2-dimethylphenothiazin-3-one; CHEMBL1981661; SCHEMBL11019325; NSC-641151; NCI60_013812"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641151	.	.	.	.	241.31	C14H11NOS	54.7	473	2.8	17	0	3	0	"InChI=1S/C14H11NOS/c1-8-9(2)14-13(7-11(8)16)17-12-6-4-3-5-10(12)15-14/h3-7H,1-2H3"	CC1=C(C2=NC3=CC=CC=C3SC2=CC1=O)C	HUPHNKJOBUKSOA-UHFFFAOYSA-N
DG53957	"1,6-Dimethyl-phenothiazone"	369388	"1,6-Dimethyl-phenothiazone; NSC641152; 1,6-dimethylphenothiazin-3-one; CHEMBL1967983; NSC-641152; NCI60_013813"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641152	.	.	.	.	241.31	C14H11NOS	54.7	461	2.8	17	0	3	0	"InChI=1S/C14H11NOS/c1-8-4-3-5-11-14(8)17-12-7-10(16)6-9(2)13(12)15-11/h3-7H,1-2H3"	CC1=C2C(=CC=C1)N=C3C(=CC(=O)C=C3S2)C	LWCNALZIZXCTFM-UHFFFAOYSA-N
DG53958	"1,7-Dimethyl-phenothiazone"	369389	"1,7-Dimethyl-phenothiazone; NSC641153; 1,7-dimethylphenothiazin-3-one; CHEMBL1987116; SCHEMBL10590852; NSC-641153; NCI60_013814"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641153	.	.	.	.	241.31	C14H11NOS	54.7	461	2.8	17	0	3	0	"InChI=1S/C14H11NOS/c1-8-3-4-11-12(5-8)17-13-7-10(16)6-9(2)14(13)15-11/h3-7H,1-2H3"	CC1=CC2=C(C=C1)N=C3C(=CC(=O)C=C3S2)C	LZXKNTFKEPYPDR-UHFFFAOYSA-N
DG53959	"2,7-Dimethyl-phenothiazone"	369391	"2,7-Dimethyl-phenothiazone; NSC641155; 2,7-dimethylphenothiazin-3-one; 2,7-dimethyl-3h-phenothiazin-3-one; CHEMBL2003035; SCHEMBL10593291; NSC-641155; NCI60_013816"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641155	.	.	.	.	241.31	C14H11NOS	54.7	461	2.8	17	0	3	0	"InChI=1S/C14H11NOS/c1-8-3-4-10-13(5-8)17-14-7-12(16)9(2)6-11(14)15-10/h3-7H,1-2H3"	CC1=CC2=C(C=C1)N=C3C=C(C(=O)C=C3S2)C	TVVHYPAXJOOOSG-UHFFFAOYSA-N
DG53960	"2-Chloro-1,7-dimethyl-phenothiazone"	369394	"2-Chloro-1,7-dimethyl-phenothiazone; NSC641158; CHEMBL2001701; NSC-641158; NCI60_013819; 2-chloro-1,7-dimethyl-phenothiazin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641158	.	.	.	.	275.8	C14H10ClNOS	54.7	506	3.6	18	0	3	0	"InChI=1S/C14H10ClNOS/c1-7-3-4-9-11(5-7)18-12-6-10(17)13(15)8(2)14(12)16-9/h3-6H,1-2H3"	CC1=CC2=C(C=C1)N=C3C(=C(C(=O)C=C3S2)Cl)C	JZSMVJJMVBBMGS-UHFFFAOYSA-N
DG53961	"1,5-bis(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)pentane-1,5-dione"	369404	"NSC641174; Neuro_000312; CHEMBL1986613; 1,5-bis(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)pentane-1,5-dione; 1,5-Bis(4,5-dihydroxy-10-oxo-9,10-dihydro-9-anthracenyl)-1,5-pentanedione; NSC-641174; NCI60_013833"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641174	.	.	.	.	548.5	C33H24O8	149	900	5.2	41	4	8	6	"InChI=1S/C33H24O8/c34-20(26-16-6-1-10-22(36)28(16)32(40)29-17(26)7-2-11-23(29)37)14-5-15-21(35)27-18-8-3-12-24(38)30(18)33(41)31-19(27)9-4-13-25(31)39/h1-4,6-13,26-27,36-39H,5,14-15H2"	C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C(=O)CCCC(=O)C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=CC=C6O)C=CC=C3O	PLQHDBBLDKDDNY-UHFFFAOYSA-N
DG53962	"1,6-bis(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)hexane-1,6-dione"	369405	"NSC641175; CHEMBL1990667; 1,6-bis(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)hexane-1,6-dione; 1,6-Bis(4,5-dihydroxy-10-oxo-9,10-dihydro-9-anthracenyl)-1,6-hexanedione; NSC-641175; NCI60_013834"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641175	.	.	.	.	562.6	C34H26O8	149	914	5.5	42	4	8	7	"InChI=1S/C34H26O8/c35-21(27-17-7-3-13-23(37)29(17)33(41)30-18(27)8-4-14-24(30)38)11-1-2-12-22(36)28-19-9-5-15-25(39)31(19)34(42)32-20(28)10-6-16-26(32)40/h3-10,13-16,27-28,37-40H,1-2,11-12H2"	C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C(=O)CCCCC(=O)C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=CC=C6O)C=CC=C3O	PQGZSMNCTYYXMQ-UHFFFAOYSA-N
DG53963	"1,7-bis(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)heptane-1,7-dione"	369406	"NSC641176; CHEMBL1991040; ZINC1626625; 1,7-bis(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)heptane-1,7-dione; 1,7-Bis(4,5-dihydroxy-10-oxo-9,10-dihydro-9-anthracenyl)-1,7-heptanedione; NSC-641176; NCI60_013835"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641176	.	.	.	.	576.6	C35H28O8	149	930	6.1	43	4	8	8	"InChI=1S/C35H28O8/c36-22(28-18-8-4-14-24(38)30(18)34(42)31-19(28)9-5-15-25(31)39)12-2-1-3-13-23(37)29-20-10-6-16-26(40)32(20)35(43)33-21(29)11-7-17-27(33)41/h4-11,14-17,28-29,38-41H,1-3,12-13H2"	C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C(=O)CCCCCC(=O)C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=CC=C6O)C=CC=C3O	HMAWAKRPJNEOSD-UHFFFAOYSA-N
DG53964	"N,N,1-Triisopropyl-4,4-dimethyl-3-((4-methylphenyl)thio)-1,2-azaphosphetidin-2-amine 2-oxide"	369407	"NSC641177; CHEMBL1972660; NSC-641177; N,N,1-Triisopropyl-4,4-dimethyl-3-((4-methylphenyl)thio)-1,2-azaphosphetidin-2-amine 2-oxide; NCI60_013836; N,N,1-triisopropyl-4,4-dimethyl-2-oxo-3-(p-tolylsulfanyl)-1,2$l^{5}-azaphosphetidin-2-amine; N,N-Diisopropyl-N-(1-isopropyl-4,4-dimethyl-3-((4-methylphenyl)thio)-2-oxido-1,2-azaphosphetidin-2-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641177	.	.	.	.	382.5	C20H35N2OPS	48.8	490	5.4	25	0	4	6	"InChI=1S/C20H35N2OPS/c1-14(2)21(15(3)4)24(23)19(20(8,9)22(24)16(5)6)25-18-12-10-17(7)11-13-18/h10-16,19H,1-9H3"	CC1=CC=C(C=C1)SC2C(N(P2(=O)N(C(C)C)C(C)C)C(C)C)(C)C	UGPRJFCMTJTWIQ-UHFFFAOYSA-N
DG53965	"1H-Indene-1,3(2H)-dione, 2-[(4-fluorophenyl)methylene]-"	369408	"16210-64-3; 1H-Indene-1,3(2H)-dione, 2-[(4-fluorophenyl)methylene]-; 2-(4-fluorobenzylidene)-1H-indene-1,3(2H)-dione; NSC641178; 2-((4-Fluorophenyl)methylene)indane-1,3-dione; 2-[(4-fluorophenyl)methylidene]indene-1,3-dione; 2-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-indene-1,3-dione; 2-[(4-fluorophenyl)methylene]indane-1,3-dione; Maybridge3_005893; SCHEMBL7147011; CHEMBL1997886; MBHDCJLDOHEKIU-UHFFFAOYSA-; 2-[(4-fluorophenyl)methylene]-1H-indene-1,3(2H)-dione; DTXSID90327278; HMS1447L19; ZINC102695; MFCD00188604; STK386212; AKOS000270538; MCULE-5135866314; MS-6931; NSC-641178; 2-(fluorobenzylidene)-indan-1,3-dione; IDI1_017280; 2-(4-Fluorobenzylidene)indan-1,3-dione; NCI60_013837; CS-0270283; Z44300981"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641178	.	.	.	.	252.24	C16H9FO2	34.1	393	3.6	19	0	3	1	InChI=1S/C16H9FO2/c17-11-7-5-10(6-8-11)9-14-15(18)12-3-1-2-4-13(12)16(14)19/h1-9H	C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(C=C3)F)C2=O	MBHDCJLDOHEKIU-UHFFFAOYSA-N
DG53966	"Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-[4-(1-methylethyl)phenyl]-"	369414	"NSC641184; Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-[4-(1-methylethyl)phenyl]-; (4-isopropylphenyl)[ ]dione; CHEMBL1999758; NSC-641184; NCI60_013843"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641184	.	.	.	.	374.5	C22H18N2O2S	75	733	4.1	27	0	4	2	"InChI=1S/C22H18N2O2S/c1-12(2)13-7-9-14(10-8-13)20-18-15-5-3-4-6-16(15)21(26)19(18)23-22-24(20)17(25)11-27-22/h3-10,12,20H,11H2,1-2H3"	CC(C)C1=CC=C(C=C1)C2C3=C(C(=O)C4=CC=CC=C43)N=C5N2C(=O)CS5	BNNDSMNCPVZHBW-UHFFFAOYSA-N
DG53967	"2-Methyl-4-(4-nitrophenyl)-2,3-dihydro-1$l^{4},5-benzothiazepine 1-oxide"	369433	"NSC641203; CHEMBL1999922; NSC-641203; NCI60_013862; 2-methyl-4-(4-nitrophenyl)-2,3-dihydro-1$l^{4},5-benzothiazepine 1-oxide; 4-(4-(Hydroxy(oxido)amino)phenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine 1-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641203	.	.	.	.	314.4	C16H14N2O3S	94.5	480	2.3	22	0	5	1	"InChI=1S/C16H14N2O3S/c1-11-10-15(12-6-8-13(9-7-12)18(19)20)17-14-4-2-3-5-16(14)22(11)21/h2-9,11H,10H2,1H3"	CC1CC(=NC2=CC=CC=C2S1=O)C3=CC=C(C=C3)[N+](=O)[O-]	VVYQJGCLKUHIJA-UHFFFAOYSA-N
DG53968	"4-{2-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-N-(2-methoxyphenyl)-2,4-dioxobutanamide"	369450	"NSC641220; 908805-47-0; 4-{2-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-N-(2-methoxyphenyl)-2,4-dioxobutanamide; 4-(2-((3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino)phenyl)-N-(2-methoxyphenyl)-2,4-dioxobutanamide; CHEMBL1973090; DTXSID60920098; ZINC102949751; NSC-641220; NCI60_013879; 4-[2-[(3,4-dioxo-1-naphthyl)amino]phenyl]-N-(2-methoxyphenyl)-2,4-dioxo-butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641220	.	.	.	.	468.5	C27H20N2O6	119	896	3.8	35	2	7	8	"InChI=1S/C27H20N2O6/c1-35-25-13-7-6-12-20(25)29-27(34)24(32)15-22(30)18-10-4-5-11-19(18)28-21-14-23(31)26(33)17-9-3-2-8-16(17)21/h2-14,28H,15H2,1H3,(H,29,34)"	COC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=CC=CC=C2NC3=CC(=O)C(=O)C4=CC=CC=C43	AMUNALPHHIVLDN-UHFFFAOYSA-N
DG53969	"4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)-N-(2,4,5-trichlorophenyl)butanamide"	369454	"NSC641224; CHEMBL1990858; NSC-641224; NCI60_013883; 4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-(2,4,5-trichlorophenyl)butanamide; 4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)-N-(2,4,5-trichlorophenyl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641224	.	.	.	.	552.8	C28H16Cl3NO5	89.5	914	6.8	37	1	5	6	"InChI=1S/C28H16Cl3NO5/c29-19-12-21(31)22(13-20(19)30)32-27(35)25(34)23(26-17-7-3-4-8-18(17)28(36)37-26)24(33)16-10-9-14-5-1-2-6-15(14)11-16/h1-13,23,26H,(H,32,35)"	C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC(=C(C=C5Cl)Cl)Cl	YFPQDFKNYCNEGQ-UHFFFAOYSA-N
DG53970	"N-(6-methyl-1,3-benzothiazol-2-yl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	369455	"NSC641225; CHEMBL1988359; NSC-641225; NCI60_013884; N-(6-Methyl-1,3-benzothiazol-2-yl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide; N-(6-methyl-1,3-benzothiazol-2-yl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641225	.	.	.	.	520.6	C30H20N2O5S	131	957	6.1	38	1	7	6	"InChI=1S/C30H20N2O5S/c1-16-10-13-22-23(14-16)38-30(31-22)32-28(35)26(34)24(27-20-8-4-5-9-21(20)29(36)37-27)25(33)19-12-11-17-6-2-3-7-18(17)15-19/h2-15,24,27H,1H3,(H,31,32,35)"	CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C5=CC6=CC=CC=C6C=C5	GWGHYOBSEXVFNQ-UHFFFAOYSA-N
DG53971	"N-(2-Methyl-6-neopentylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	369456	"NSC641226; CHEMBL1996463; NSC-641226; NCI60_013885; N-(2-Methyl-6-neopentylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide; N-[2-(2,2-dimethylpropyl)-6-methyl-phenyl]-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641226	.	.	.	.	533.6	C34H31NO5	89.5	968	7.3	40	1	5	8	"InChI=1S/C34H31NO5/c1-20-10-9-13-24(19-34(2,3)4)28(20)35-32(38)30(37)27(31-25-14-7-8-15-26(25)33(39)40-31)29(36)23-17-16-21-11-5-6-12-22(21)18-23/h5-18,27,31H,19H2,1-4H3,(H,35,38)"	CC1=C(C(=CC=C1)CC(C)(C)C)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4	MPZDCDNOZWMXGR-UHFFFAOYSA-N
DG53972	"N-(4-Bromophenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	369457	"NSC641227; CHEMBL1997553; NSC-641227; N-(4-Bromophenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide; NCI60_013886; N-(4-bromophenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641227	.	.	.	.	496.3	C24H15BrFNO5	89.5	753	4.5	32	1	6	6	"InChI=1S/C24H15BrFNO5/c25-13-9-11-14(12-10-13)27-23(30)21(29)19(20(28)17-7-3-4-8-18(17)26)22-15-5-1-2-6-16(15)24(31)32-22/h1-12,19,22H,(H,27,30)"	C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC=CC=C3F)C(=O)C(=O)NC4=CC=C(C=C4)Br	IAHYJQCQOYXFCP-UHFFFAOYSA-N
DG53973	"4-(2-Fluorophenyl)-N-(2-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	369458	"NSC641228; CHEMBL1969230; NSC-641228; 4-(2-Fluorophenyl)-N-(2-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide; NCI60_013887; 4-(2-fluorophenyl)-2,3-dihydroisobenzofuran-1-yl)-N-o-tolylbutanamide; 4-(2-fluorophenyl)-N-(o-tolyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641228	.	.	.	.	431.4	C25H18FNO5	89.5	755	4.1	32	1	6	6	"InChI=1S/C25H18FNO5/c1-14-8-2-7-13-19(14)27-24(30)22(29)20(21(28)17-11-5-6-12-18(17)26)23-15-9-3-4-10-16(15)25(31)32-23/h2-13,20,23H,1H3,(H,27,30)"	CC1=CC=CC=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F	QFSXPDAHYQZTCB-UHFFFAOYSA-N
DG53974	"N-(2-Ethoxyphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	369460	"NSC641230; CHEMBL1981562; NSC-641230; N-(2-Ethoxyphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide; NCI60_013889; N-(2-ethoxyphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641230	.	.	.	.	493.5	C30H23NO6	98.8	872	5.3	37	1	6	8	"InChI=1S/C30H23NO6/c1-2-36-24-14-8-7-13-23(24)31-29(34)27(33)25(28-21-11-5-6-12-22(21)30(35)37-28)26(32)20-16-15-18-9-3-4-10-19(18)17-20/h3-17,25,28H,2H2,1H3,(H,31,34)"	CCOC1=CC=CC=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4	OJOOTGVNBJKFNB-UHFFFAOYSA-N
DG53975	"4-(2-naphthyl)-N-[2-nitro-4-(trifluoromethyl)phenyl]-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	369461	"NSC641231; CHEMBL1988356; NSC-641231; NCI60_013890; 4-(2-naphthyl)-N-[2-nitro-4-(trifluoromethyl)phenyl]-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide; N-(2-(Hydroxy(oxido)amino)-4-(trifluoromethyl)phenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641231	.	.	.	.	562.4	C29H17F3N2O7	135	1060	6.2	41	1	10	6	"InChI=1S/C29H17F3N2O7/c30-29(31,32)18-11-12-21(22(14-18)34(39)40)33-27(37)25(36)23(26-19-7-3-4-8-20(19)28(38)41-26)24(35)17-10-9-15-5-1-2-6-16(15)13-17/h1-14,23,26H,(H,33,37)"	C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-]	JVKNCBVJIVEUBW-UHFFFAOYSA-N
DG53976	"N-(3-chloro-1,4-dioxo-2-naphthyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	369463	"NSC641233; CHEMBL1980478; NSC-641233; NCI60_013892; 2-Naphthalenebutanamide, N-(3-chloro-1,4-dihydro- 1, 4-dioxo-2-naphthalenyl)-.beta.-(1,3-dihydro-3-oxo- 1-isoindolyl)-.alpha.-,-.gamma.-dioxo-; 2-Naphthalenebutanamide,4-dihydro- 1,4-dioxo-2-naphthalenyl)-.beta.-(1,3-dihydro-3-oxo- 1-isoindolyl)-.alpha.-,-.gamma.-dioxo-; N-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide; N-(3-chloro-1,4-dioxo-2-naphthyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641233	.	.	.	.	563.9	C32H18ClNO7	124	1190	5.5	41	1	7	6	"InChI=1S/C32H18ClNO7/c33-24-25(28(37)20-10-4-3-9-19(20)27(24)36)34-31(39)29(38)23(30-21-11-5-6-12-22(21)32(40)41-30)26(35)18-14-13-16-7-1-2-8-17(16)15-18/h1-15,23,30H,(H,34,39)"	C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=C(C(=O)C6=CC=CC=C6C5=O)Cl	UBKLJIUHBTWPQD-UHFFFAOYSA-N
DG53977	"N-(4-Ethoxyphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	369465	"NSC641235; CHEMBL1999291; NSC-641235; N-(4-Ethoxyphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide; NCI60_013894; N-(4-ethoxyphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641235	.	.	.	.	493.5	C30H23NO6	98.8	864	5.3	37	1	6	8	"InChI=1S/C30H23NO6/c1-2-36-22-15-13-21(14-16-22)31-29(34)27(33)25(28-23-9-5-6-10-24(23)30(35)37-28)26(32)20-12-11-18-7-3-4-8-19(18)17-20/h3-17,25,28H,2H2,1H3,(H,31,34)"	CCOC1=CC=C(C=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4	QTEXSGJHQLZBJL-UHFFFAOYSA-N
DG53978	"N-(3,4-Dimethylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	369466	"NSC641236; CHEMBL1994834; NSC-641236; N-(3,4-Dimethylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide; NCI60_013895; N-(3,4-dimethylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641236	.	.	.	.	477.5	C30H23NO5	89.5	869	5.7	36	1	5	6	"InChI=1S/C30H23NO5/c1-17-11-14-22(15-18(17)2)31-29(34)27(33)25(28-23-9-5-6-10-24(23)30(35)36-28)26(32)21-13-12-19-7-3-4-8-20(19)16-21/h3-16,25,28H,1-2H3,(H,31,34)"	CC1=C(C=C(C=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4)C	RFGJFIQFIVPWEU-UHFFFAOYSA-N
DG53979	"N-(2-Acetylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	369467	"NSC641237; CHEMBL1994870; NSC-641237; N-(2-Acetylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide; NCI60_013896; N-(2-acetylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641237	.	.	.	.	491.5	C30H21NO6	107	929	5.2	37	1	6	7	"InChI=1S/C30H21NO6/c1-17(32)21-10-6-7-13-24(21)31-29(35)27(34)25(28-22-11-4-5-12-23(22)30(36)37-28)26(33)20-15-14-18-8-2-3-9-19(18)16-20/h2-16,25,28H,1H3,(H,31,35)"	CC(=O)C1=CC=CC=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4	AYQDPRIYZRUEIO-UHFFFAOYSA-N
DG53980	"N-(4-Chloro-2-methylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	369468	"NSC641238; N-(4-Chloro-2-methylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide; CHEMBL1990322; AKOS024326907; MCULE-7298637150; NSC-641238; NCI60_013897; N-(4-chloro-2-methyl-phenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641238	.	.	.	.	497.9	C29H20ClNO5	89.5	876	5.9	36	1	5	6	"InChI=1S/C29H20ClNO5/c1-16-14-20(30)12-13-23(16)31-28(34)26(33)24(27-21-8-4-5-9-22(21)29(35)36-27)25(32)19-11-10-17-6-2-3-7-18(17)15-19/h2-15,24,27H,1H3,(H,31,34)"	CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4	JCMZHKDSHQCMEQ-UHFFFAOYSA-N
DG53981	"N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	369469	"NSC641239; CHEMBL1964689; NSC-641239; NCI60_013898; N-(2-Chloro-5-(trifluoromethyl)phenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide; N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641239	.	.	.	.	551.9	C29H17ClF3NO5	89.5	973	6.4	39	1	8	6	"InChI=1S/C29H17ClF3NO5/c30-21-12-11-18(29(31,32)33)14-22(21)34-27(37)25(36)23(26-19-7-3-4-8-20(19)28(38)39-26)24(35)17-10-9-15-5-1-2-6-16(15)13-17/h1-14,23,26H,(H,34,37)"	C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=C(C=CC(=C5)C(F)(F)F)Cl	OEYWCRGGCROSDB-UHFFFAOYSA-N
DG53982	"Methyl 2-((4-(2-((3,4-dioxo-3,4-dihydronaphthalen-1-yl)amino)phenyl)-2,4-dioxobutanoyl)amino)benzoate"	369470	"NSC641240; 883801-78-3; Methyl 2-((4-(2-((3,4-dioxo-3,4-dihydronaphthalen-1-yl)amino)phenyl)-2,4-dioxobutanoyl)amino)benzoate; Methyl 2-[(4-{2-[(3,4-dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-2,4-dioxobutanoyl)amino]benzoate; NCIMech_000766; CHEMBL2003048; DTXSID801008112; CCG-35795; AKOS024423310; ZINC100721684; MCULE-1123154182; NSC-641240; NCI60_013899; methyl 2-[[4-[2-[(3,4-dioxo-1-naphthyl)amino]phenyl]-2,4-dioxo-butanoyl]amino]benzoate; Methyl 2-(4-{2-[(3,4-dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-2,4-dioxobutanamido)benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641240	.	.	.	.	496.5	C28H20N2O7	136	987	4.3	37	2	8	9	"InChI=1S/C28H20N2O7/c1-37-28(36)19-11-5-7-13-21(19)30-27(35)25(33)15-23(31)18-10-4-6-12-20(18)29-22-14-24(32)26(34)17-9-3-2-8-16(17)22/h2-14,29H,15H2,1H3,(H,30,35)"	COC(=O)C1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=CC=CC=C2NC3=CC(=O)C(=O)C4=CC=CC=C43	JFFOWURHYJMMST-UHFFFAOYSA-N
DG53983	"4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide"	369471	"NSC641241; CHEMBL1990413; NSC-641241; NCI60_013900; 2-Naphthalenebutanamide, .alpha.-,.gamma.-dioxo-.beta.-(3-oxo {-2-benzoisofuran-1-yl)-N-[3-(trifluoromethyl)phenyl]-}; 2-Naphthalenebutanamide,gamma-dioxo-beta-(3-oxo -2-benzoisofuran-1-yl)-N-[3-(trifluoromethyl)phenyl]-; 4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-(3-(trifluoromethyl)phenyl)butanamide; 4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641241	.	.	.	.	517.5	C29H18F3NO5	89.5	936	5.8	38	1	8	6	"InChI=1S/C29H18F3NO5/c30-29(31,32)19-8-5-9-20(15-19)33-27(36)25(35)23(26-21-10-3-4-11-22(21)28(37)38-26)24(34)18-13-12-16-6-1-2-7-17(16)14-18/h1-15,23,26H,(H,33,36)"	C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC=CC(=C5)C(F)(F)F	DJZHPEBBJKDWBL-UHFFFAOYSA-N
DG53984	"4-[2-[(3,4-dioxo-1-naphthyl)amino]phenyl]-N-(3-nitrophenyl)-2,4-dioxo-butanamide"	369472	"NSC641242; 908805-85-6; CHEMBL1976705; DTXSID00920097; ZINC102946496; NSC-641242; NCI60_013901; 4-[2-[(3,4-dioxo-1-naphthyl)amino]phenyl]-N-(3-nitrophenyl)-2,4-dioxo-butanamide; 4-{2-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-N-(3-nitrophenyl)-2,4-dioxobutanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641242	.	.	.	.	483.4	C26H17N3O7	155	969	3.7	36	2	8	7	"InChI=1S/C26H17N3O7/c30-22(14-24(32)26(34)27-15-6-5-7-16(12-15)29(35)36)19-10-3-4-11-20(19)28-21-13-23(31)25(33)18-9-2-1-8-17(18)21/h1-13,28H,14H2,(H,27,34)"	C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]	PUXUSCGZHRZRQN-UHFFFAOYSA-N
DG53985	"N-(3-chloro-1,4-dioxo-2-naphthyl)-4-[2-[(3,4-dioxo-2-naphthyl)amino]phenyl]-2,4-dioxo-butanamide"	369475	"NSC641245; NCIMech_000310; CHEMBL2002564; CCG-35487; ZINC102985424; NSC-641245; NCI60_013904; Benzenebutanamide, N-(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-2-[(3,4-dihydro-3,4-dioxo-2-naphthalenyl)amino]-a,g-dioxo-; Benzenebutanamide,4-dihydro-1,4-dioxo- 2-naphthalenyl)-.alpha.,.gamma.-dioxo-2-(3,4-dihydro- 3,4-dioxo-2-naphthalenyl)-; N-(3-chloro-1,4-dioxo-2-naphthyl)-4-[2-[(3,4-dioxo-2-naphthyl)amino]phenyl]-2,4-dioxo-butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641245	.	.	.	.	552.9	C30H17ClN2O7	144	1230	4.9	40	2	8	7	"InChI=1S/C30H17ClN2O7/c31-24-25(27(37)18-10-4-3-9-17(18)26(24)36)33-30(40)23(35)14-22(34)19-11-5-6-12-20(19)32-21-13-15-7-1-2-8-16(15)28(38)29(21)39/h1-13,32H,14H2,(H,33,40)"	C1=CC=C2C(=C1)C=C(C(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)NC4=C(C(=O)C5=CC=CC=C5C4=O)Cl	DVWNWQNIVXGREC-UHFFFAOYSA-N
DG53986	"N-(3,4-Dichlorophenyl)-4-{2-[(3,4-dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-2,4-dioxobutanamide"	369480	"NSC641250; 883814-32-2; N-(3,4-dichlorophenyl)-4-(2-((3,4-dioxo-3,4-dihydronaphthalen-1-yl)amino)phenyl)-2,4-dioxobutanamide; N-(3,4-Dichlorophenyl)-4-{2-[(3,4-dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-2,4-dioxobutanamide; NCIMech_000066; CHEMBL1990669; DTXSID201008114; CCG-35438; ZINC102938844; NSC-641250; NCI60_013909; N-(3,4-dichlorophenyl)-4-[2-[(3,4-dioxo-1-naphthyl)amino]phenyl]-2,4-dioxo-butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641250	.	.	.	.	507.3	C26H16Cl2N2O5	109	919	5.1	35	2	6	7	"InChI=1S/C26H16Cl2N2O5/c27-18-10-9-14(11-19(18)28)29-26(35)24(33)13-22(31)17-7-3-4-8-20(17)30-21-12-23(32)25(34)16-6-2-1-5-15(16)21/h1-12,30H,13H2,(H,29,35)"	C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)NC4=CC(=C(C=C4)Cl)Cl	ZLIKMIMZJKADTK-UHFFFAOYSA-N
DG53987	"2-((4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanoyl)amino)benzamide"	369482	"NSC641252; CHEMBL2000799; NSC-641252; 2-((4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanoyl)amino)benzamide; NCI60_013911; 2-[[4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanoyl]amino]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641252	.	.	.	.	492.5	C29H20N2O6	133	933	4.4	37	2	6	7	"InChI=1S/C29H20N2O6/c30-27(34)21-11-5-6-12-22(21)31-28(35)25(33)23(26-19-9-3-4-10-20(19)29(36)37-26)24(32)18-14-13-16-7-1-2-8-17(16)15-18/h1-15,23,26H,(H2,30,34)(H,31,35)"	C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC=CC=C5C(=O)N	HQNHPBCBHFGHNN-UHFFFAOYSA-N
DG53988	"N-(4-Chlorophenyl)-4-{2-[(3,4-dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-2,4-dioxobutanamide"	369483	"NSC641253; 908806-00-8; N-(4-Chlorophenyl)-4-{2-[(3,4-dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-2,4-dioxobutanamide; N-(4-Chlorophenyl)-4-(2-((3,4-dioxo-3,4-dihydronaphthalen-1-yl)amino)phenyl)-2,4-dioxobutanamide; NCIMech_000796; CHEMBL1990811; DTXSID40920096; CCG-35805; ZINC102937729; NSC-641253; NCI60_013912; N-(4-chlorophenyl)-4-[2-[(3,4-dioxo-1-naphthyl)amino]phenyl]-2,4-dioxo-butanamide; N-(4-Chlorophenyl)-4-{2-[(3,4-dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-2,4-dioxobutanimidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641253	.	.	.	.	472.9	C26H17ClN2O5	109	876	4.5	34	2	6	7	"InChI=1S/C26H17ClN2O5/c27-15-9-11-16(12-10-15)28-26(34)24(32)14-22(30)19-7-3-4-8-20(19)29-21-13-23(31)25(33)18-6-2-1-5-17(18)21/h1-13,29H,14H2,(H,28,34)"	C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)NC4=CC=C(C=C4)Cl	CITLSTZRNQPUSX-UHFFFAOYSA-N
DG53989	"2-Methyl-3-(5-nitro-2-furyl)-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole"	369501	"NSC641279; CHEMBL1975803; NSC-641279; NCI60_013924; 2-methyl-3-(5-nitro-2-furyl)-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole; 5-(5-(Hydroxy(oxido)amino)-2-furyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641279	.	.	.	.	361.3	C17H19N3O6	102	525	2.6	26	0	8	5	"InChI=1S/C17H19N3O6/c1-19-12(13-5-6-16(26-13)20(21)22)9-11(18-19)10-7-14(23-2)17(25-4)15(8-10)24-3/h5-8,12H,9H2,1-4H3"	CN1C(CC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=C(O3)[N+](=O)[O-]	UYHSZQLQNVHIOV-UHFFFAOYSA-N
DG53990	"2-Methyl-6-(4-pyridinyl)imidazo[2,1-b][1,3]thiazole"	369509	"NSC641289; 2-Methyl-6-(4-pyridinyl)imidazo[2,1-b][1,3]thiazole; CHEMBL1979714; NSC-641289; NCI60_013934; 2-methyl-6-(4-pyridyl)imidazo[2,1-b]thiazole; 2-Methyl-6-(4-pyridinyl)imidazo[2,1-b]thiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641289	.	.	.	.	215.28	C11H9N3S	58.4	230	2.9	15	0	3	1	"InChI=1S/C11H9N3S/c1-8-6-14-7-10(13-11(14)15-8)9-2-4-12-5-3-9/h2-7H,1H3"	CC1=CN2C=C(N=C2S1)C3=CC=NC=C3	XXANBEWCOHFZQG-UHFFFAOYSA-N
DG53991	"3-Methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazole"	369510	"NSC641290; 3-Methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazole; CHEMBL1994052; 3-METHYL-6-(PYRIDIN-4-YL)IMIDAZO[2,1-B]THIAZOLE; ZINC13216693; AKOS005145075; AB26777; NSC-641290; 96911-29-4; NCI60_013935; 3-methyl-6-(4-pyridyl)imidazo[2,1-b]thiazole; 3-Methyl-6-(4-pyridinyl)imidazo[2,1-b]thiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641290	.	.	.	.	215.28	C11H9N3S	58.4	230	2.9	15	0	3	1	"InChI=1S/C11H9N3S/c1-8-7-15-11-13-10(6-14(8)11)9-2-4-12-5-3-9/h2-7H,1H3"	CC1=CSC2=NC(=CN12)C3=CC=NC=C3	KBZPNUKMVHLHQJ-UHFFFAOYSA-N
DG53992	"6-(4-Pyridinyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole"	369511	"NSC641291; 6-(4-Pyridinyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole; CHEMBL2004946; AKOS005144859; NSC-641291; NCI60_013936; 6-(4-pyridyl)-2,3-dihydroimidazo[2,1-b]thiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641291	.	.	.	.	203.27	C10H9N3S	56	206	1.2	14	0	3	1	"InChI=1S/C10H9N3S/c1-3-11-4-2-8(1)9-7-13-5-6-14-10(13)12-9/h1-4,7H,5-6H2"	C1CSC2=NC(=CN21)C3=CC=NC=C3	PGKBPNVZTCMLPE-UHFFFAOYSA-N
DG53993	"2-Imidazo[2,1-b][1,3]thiazol-6-yl-5-(methylthio)phenol"	369512	"NSC641292; 2-Imidazo[2,1-b][1,3]thiazol-6-yl-5-(methylthio)phenol; CHEMBL1974271; AKOS005145268; NSC-641292; NCI60_013937; 2-imidazo[2,1-b]thiazol-6-yl-5-methylsulfanyl-phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641292	.	.	.	.	262.4	C12H10N2OS2	91.1	279	3.7	17	1	4	2	"InChI=1S/C12H10N2OS2/c1-16-8-2-3-9(11(15)6-8)10-7-14-4-5-17-12(14)13-10/h2-7,15H,1H3"	CSC1=CC(=C(C=C1)C2=CN3C=CSC3=N2)O	VJWLTFNGUIFFOD-UHFFFAOYSA-N
DG53994	5-Amino-1-methyl-3-phenacylimidazol-1-ium-4-carboxamide;bromide	369520	NSC641317; CHEMBL1964698; NSC-641317	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641317	.	.	.	.	339.19	C13H15BrN4O2	95	355	.	20	2	4	4	"InChI=1S/C13H14N4O2.BrH/c1-16-8-17(11(12(16)14)13(15)19)7-10(18)9-5-3-2-4-6-9;/h2-6,8H,7H2,1H3,(H3-,14,15,19);1H"	C[N+]1=CN(C(=C1N)C(=O)N)CC(=O)C2=CC=CC=C2.[Br-]	UYPOZFFHXZNKCJ-UHFFFAOYSA-N
DG53995	"3-(3,4,5-trimethoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxylic acid"	369522	"NSC641377; 3-(3,4,5-trimethoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxylic acid; CHEMBL1993815; ZINC1626791; NSC-641377; 3-(3,4,5-Trimethoxy-phenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxylic acid; NCI60_013952"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641377	.	.	.	.	350.35	C14H14N4O5S	133	494	2.3	24	2	9	5	"InChI=1S/C14H14N4O5S/c1-21-8-4-7(5-9(22-2)11(8)23-3)12-16-17-14-18(12)15-6-10(24-14)13(19)20/h4-6,15H,1-3H3,(H,19,20)"	COC1=CC(=CC(=C1OC)OC)C2=NN=C3N2NC=C(S3)C(=O)O	HRYSWUAJRBJUIP-UHFFFAOYSA-N
DG53996	"2-Methyl-2H-pyridazino(4,5-b)(1,4)benzothiazin-1(10H)-one-5,5-dioxide"	369523	"NSC641378; 126598-39-8; 2-Methyl-2H-pyridazino(4,5-b)(1,4)benzothiazin-1(10H)-one-5,5-dioxide; 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide; 2,10-Dihydro-2-methyl-1H-pyridazino(4,5-b)(1,4)benzothiazin-1-one 5,5-dioxide; CHEMBL1981069; DTXSID30925616; ZINC1626792; NSC-641378; NCI60_013953; 2-methyl-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-1-one; 2-Methyl-2,10-dihydro-1H-pyridazino[4,5-b][1,4]benzothiazin-1-one 5,5-dioxide; 2-Methyl-2,3-dihydro-5lambda~6~-pyridazino[4,5-b][1,4]benzothiazine-1,5,5-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641378	.	.	.	.	263.27	C11H9N3O3S	87.2	559	0.3	18	1	5	0	"InChI=1S/C11H9N3O3S/c1-14-11(15)10-9(6-12-14)18(16,17)8-5-3-2-4-7(8)13-10/h2-6,13H,1H3"	CN1C(=O)C2=C(C=N1)S(=O)(=O)C3=CC=CC=C3N2	YKNVKHAYVZQLNM-UHFFFAOYSA-N
DG53997	NSC641379	369524	2-[[6-[[Bis(carboxymethyl)amino]methyl]-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]-2-pyridyl]methyl-(carboxymethyl)amino]acetic acid; NSC641379; CHEMBL1988433; NSC-641379; NCI60_013954; {[6-[(Bis-carboxymethyl-amino)-methyl]-4-(4-phenylethynyl-phenylethynyl)-pyridin-2-ylmethyl]-carboxymethyl-amino}-acetic acid; 2-[[6-[[bis(carboxymethyl)amino]methyl]-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]-2-pyridyl]methyl-(carboxymethyl)amino]acetic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641379	.	.	.	.	569.6	C31H27N3O8	169	1010	-1.5	42	4	11	16	"InChI=1S/C31H27N3O8/c35-28(36)18-33(19-29(37)38)16-26-14-25(15-27(32-26)17-34(20-30(39)40)21-31(41)42)13-12-24-10-8-23(9-11-24)7-6-22-4-2-1-3-5-22/h1-5,8-11,14-15H,16-21H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)"	C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC(=NC(=C3)CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O	RZYIIRHQXGLACC-UHFFFAOYSA-N
DG53998	NSC641380	369525	({6-[(Bis-tert-butoxycarbonylmethyl-amino)-methyl]-4-ethynyl-pyridin-2-ylmethyl}-tert-butoxycarbonylmethyl-amino)-acetic acid tert-butyl ester; NSC641380; SCHEMBL5004491; CHEMBL1998232; NSC-641380; NCI60_013955; ({6-[(Bis-tert-butoxycarbonylmethyl-amino)-methyl]-4-ethynyl-pyridin-2-ylmethyl}-tert-butoxycarbonylmethyl-amino)-acetic acid tert-butyl ester; tert-butyl 2-[[6-[[bis(2-tert-butoxy-2-oxo-ethyl)amino]methyl]-4-ethynyl-2-pyridyl]methyl-(2-tert-butoxy-2-oxo-ethyl)amino]acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641380	.	.	.	.	617.8	C33H51N3O8	125	903	4.5	44	0	11	21	"InChI=1S/C33H51N3O8/c1-14-23-15-24(17-35(19-26(37)41-30(2,3)4)20-27(38)42-31(5,6)7)34-25(16-23)18-36(21-28(39)43-32(8,9)10)22-29(40)44-33(11,12)13/h1,15-16H,17-22H2,2-13H3"	CC(C)(C)OC(=O)CN(CC1=CC(=CC(=N1)CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)C#C)CC(=O)OC(C)(C)C	SDNOYRDLSSQQHR-UHFFFAOYSA-N
DG53999	3-Butan-2-yloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid	369528	NSC641385; CHEMBL1982447; SCHEMBL16731307; NSC-641385; NCI60_013958	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641385	.	.	.	.	242.27	C12H18O5	72.8	327	1.2	17	1	5	5	"InChI=1S/C12H18O5/c1-3-6(2)16-12(15)10-8-5-4-7(17-8)9(10)11(13)14/h6-10H,3-5H2,1-2H3,(H,13,14)"	CCC(C)OC(=O)C1C2CCC(C1C(=O)O)O2	WZTMXURDBJHVLQ-UHFFFAOYSA-N
DG54000	3-(Butylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid	369529	NSC641386; SCHEMBL3496242; CHEMBL1968464; NSC-641386; NCI60_013959	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641386	.	.	.	.	241.28	C12H19NO4	75.6	318	0.5	17	2	4	5	"InChI=1S/C12H19NO4/c1-2-3-6-13-11(14)9-7-4-5-8(17-7)10(9)12(15)16/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16)"	CCCCNC(=O)C1C2CCC(C1C(=O)O)O2	IYWLRXVCEZKPBZ-UHFFFAOYSA-N
DG54001	3-(Piperidine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid	369530	NSC641387; CHEMBL1993883; SCHEMBL18073223; NSC-641387; NCI60_013960	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641387	.	.	.	.	253.29	C13H19NO4	66.8	364	0.3	18	1	4	2	"InChI=1S/C13H19NO4/c15-12(14-6-2-1-3-7-14)10-8-4-5-9(18-8)11(10)13(16)17/h8-11H,1-7H2,(H,16,17)"	C1CCN(CC1)C(=O)C2C3CCC(C2C(=O)O)O3	ZTSWBUOMLFPBHY-UHFFFAOYSA-N
DG54002	"3-[(5-Methyl-1,2-oxazol-3-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid"	369532	"NSC641389; CHEMBL1978226; STK457912; AKOS003284751; MCULE-8742621947; NSC-641389; NCI60_013962; 3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641389	.	.	.	.	264.23	C12H12N2O5	102	438	-0.3	19	2	6	3	"InChI=1S/C12H12N2O5/c1-5-4-8(14-19-5)13-11(15)9-6-2-3-7(18-6)10(9)12(16)17/h2-4,6-7,9-10H,1H3,(H,16,17)(H,13,14,15)"	CC1=CC(=NO1)NC(=O)C2C3C=CC(C2C(=O)O)O3	JOKSNBLJCNUNLB-UHFFFAOYSA-N
DG54003	3-[(4-Methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid	369533	NSC641390; CHEMBL1969722; NSC-641390; NCI60_013963	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641390	.	.	.	.	275.3	C15H17NO4	75.6	403	1.2	20	2	4	3	"InChI=1S/C15H17NO4/c1-8-2-4-9(5-3-8)16-14(17)12-10-6-7-11(20-10)13(12)15(18)19/h2-5,10-13H,6-7H2,1H3,(H,16,17)(H,18,19)"	CC1=CC=C(C=C1)NC(=O)C2C3CCC(C2C(=O)O)O3	BENBELMNAUKKHX-UHFFFAOYSA-N
DG54004	"5H-Naphtho[2,3-a]carbazole-5,13(12H)-dione, 12-phenyl-"	369536	"NSC641393; 5H-Naphtho[2,3-a]carbazole-5,13(12H)-dione, 12-phenyl-; 12-phenylnaphtho[3,2-a]carbazole-5,13-dione; CHEMBL2003016; ZINC5593789; NSC-641393; NCI60_013966; 5H-Naphtho[2,13(12H)-dione, 12-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641393	.	.	.	.	373.4	C26H15NO2	39.1	668	5.9	29	0	2	1	InChI=1S/C26H15NO2/c28-25-19-11-4-5-12-20(19)26(29)23-21(25)15-14-18-17-10-6-7-13-22(17)27(24(18)23)16-8-2-1-3-9-16/h1-15H	C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)C6=CC=CC=C6C5=O	SYFDLZWAZARVCW-UHFFFAOYSA-N
DG54005	"11-Phenyl-1H-benzo[a]carbazole-1,4(11H)-dione"	369537	"NSC641394; 11-Phenyl-1H-benzo[a]carbazole-1,4(11H)-dione; 11-phenylbenzo[a]carbazole-1,4-dione; CHEMBL1996274; ZINC1626801; 1H-Benzo[a]carbazole-1, 11-phenyl-; NSC-641394; NCI60_013967; {1H-Benzo[a]carbazole-1,4(11H)-dione,} 11-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641394	.	.	.	.	323.3	C22H13NO2	39.1	591	4.5	25	0	2	1	InChI=1S/C22H13NO2/c24-19-12-13-20(25)21-17(19)11-10-16-15-8-4-5-9-18(15)23(22(16)21)14-6-2-1-3-7-14/h1-13H	C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)C=CC5=O	DJPKUBKDRCRYKZ-UHFFFAOYSA-N
DG54006	"1H-Benzo[a]carbazole-1,4(11H)-dione, 8-methoxy-"	369538	"MLS000756808; 1H-Benzo[a]carbazole-1,4(11H)-dione, 8-methoxy-; NSC641395; 8-methoxy-11H-benzo[a]carbazole-1,4-dione; SMR000529076; cid_369538; CHEMBL1607313; BDBM50717; HMS2873J06; ZINC1626802; 1H-Benzo[a]carbazole-1, 8-methoxy-; NSC-641395; NCI60_013968; 8-methoxy-11H-benzo[a]carbazole-1,4-quinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641395	.	.	.	.	277.27	C17H11NO3	59.2	500	2.9	21	1	3	1	"InChI=1S/C17H11NO3/c1-21-9-2-5-13-12(8-9)10-3-4-11-14(19)6-7-15(20)16(11)17(10)18-13/h2-8,18H,1H3"	COC1=CC2=C(C=C1)NC3=C2C=CC4=C3C(=O)C=CC4=O	LETGFRZUYFTHIV-UHFFFAOYSA-N
DG54007	"1H-Benzo[a]carbazole-1,4(11H)-dione, 8-methoxy-11-methyl-"	369539	"NSC641396; MLS000756809; SMR000529077; 1H-Benzo[a]carbazole-1,4(11H)-dione, 8-methoxy-11- methyl-; 8-methoxy-11-methyl-benzo[a]carbazole-1,4-dione; 8-methoxy-11-methylbenzo[a]carbazole-1,4-dione; cid_369539; CHEMBL1407756; SCHEMBL21945224; BDBM50643; 1H-Benzo[a]carbazole-1,4(11H)-dione, 8-methoxy-11-methyl-; HMS2886H06; ZINC1626803; NSC-641396; NCI60_013969; 1H-Benzo[a]carbazole-1, 8-methoxy-11- methyl-; SR-01000759675; 8-methoxy-11-methyl-benzo[a]carbazole-1,4-quinone; SR-01000759675-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641396	.	.	.	.	291.3	C18H13NO3	48.3	528	2.8	22	0	3	1	"InChI=1S/C18H13NO3/c1-19-14-6-3-10(22-2)9-13(14)11-4-5-12-15(20)7-8-16(21)17(12)18(11)19/h3-9H,1-2H3"	CN1C2=C(C=C(C=C2)OC)C3=C1C4=C(C=C3)C(=O)C=CC4=O	NJELFFLROCNKMT-UHFFFAOYSA-N
DG54008	"Spiro[5H-furo[3,2-b]naphtho[2,3-d]pyran-5,2'-[2H]pyran]-2,6,11(3H)-trione, 3',3a,4',5',6',11b-hexahydro-6'-methyl-"	369540	"NSC641401; Spiro[5H-furo[3,2-b]naphtho[2,3-d]pyran-5,2'-[2H]pyran]-2,6,11(3H)-trione, 3',3a,4',5',6',11b-hexahydro-6'-methyl-; NSC-641401; NCI60_013970; 6'-methylspiro[[ ]-[ ],2'-tetrahydropyran]trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641401	.	.	.	.	354.4	C20H18O6	78.9	724	1.5	26	0	6	0	"InChI=1S/C20H18O6/c1-10-5-4-8-20(25-10)16-15(19-13(26-20)9-14(21)24-19)17(22)11-6-2-3-7-12(11)18(16)23/h2-3,6-7,10,13,19H,4-5,8-9H2,1H3"	CC1CCCC2(O1)C3=C(C4C(O2)CC(=O)O4)C(=O)C5=CC=CC=C5C3=O	OEUYGKAVYFGZFF-UHFFFAOYSA-N
DG54009	"Methyl 2-{[2-oxo-3-(3,7,12-trioxo-3,4,7,12-tetrahydronaphtho[2,3-f]quinoxalin-2-yl)propanoyl]amino}benzoate"	369543	"NSC641404; CHEMBL1999587; ZINC8653518; NSC-641404; Methyl 2-{[2-oxo-3-(3,7,12-trioxo-3,4,7,12-tetrahydronaphtho[2,3-f]quinoxalin-2-yl)propanoyl]amino}benzoate; NCI60_013973; methyl 2-[[3-(3-hydroxy-7,12-dioxo-naphtho[2,3-h]quinoxalin-2-yl)-2-oxo-propanoyl]amino]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641404	.	.	.	.	495.4	C27H17N3O7	148	1050	2.9	37	2	8	6	"InChI=1S/C27H17N3O7/c1-37-27(36)15-8-4-5-9-17(15)29-26(35)20(31)12-19-25(34)30-18-11-10-16-21(22(18)28-19)24(33)14-7-3-2-6-13(14)23(16)32/h2-11H,12H2,1H3,(H,29,35)(H,30,34)"	COC(=O)C1=CC=CC=C1NC(=O)C(=O)CC2=NC3=C(C=CC4=C3C(=O)C5=CC=CC=C5C4=O)NC2=O	NHSDDHZOMHNLQN-UHFFFAOYSA-N
DG54010	"Ethyl (2-hydroxy-7,12-dioxo-7,12-dihydronaphtho[2,3-f]quinoxalin-3-yl)acetate"	369544	"NSC641405; CHEMBL1969275; ZINC16957670; NSC-641405; Ethyl (2-hydroxy-7,12-dioxo-7,12-dihydronaphtho[2,3-f]quinoxalin-3-yl)acetate; NCI60_013974; Naphtho[2, 2-hydroxy- 7,12-dioxo-, ethyl ester; ethyl 2-(2-hydroxy-7,12-dioxo-naphtho[2,3-f]quinoxalin-3-yl)acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641405	.	.	.	.	362.3	C20H14N2O5	102	715	2	27	1	6	4	"InChI=1S/C20H14N2O5/c1-2-27-15(23)9-14-20(26)22-17-13(21-14)8-7-12-16(17)19(25)11-6-4-3-5-10(11)18(12)24/h3-8H,2,9H2,1H3,(H,22,26)"	CCOC(=O)CC1=NC2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)NC1=O	VZCPXFJTZLEMJO-UHFFFAOYSA-N
DG54011	Dimethyl 2-((5-(hydroxy(oxido)amino)-2-methylanilino)(oxo)acetyl)-3-oxosuccinate	369556	NSC641420; CHEMBL237387; NSC-641420; NCI60_013986; dimethyl 2-[2-(2-methyl-5-nitro-anilino)-2-oxo-acetyl]-3-oxo-butanedioate; Dimethyl 2-((5-(hydroxy(oxido)amino)-2-methylanilino)(oxo)acetyl)-3-oxosuccinate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641420	.	.	.	.	366.28	C15H14N2O9	162	625	1.2	26	1	9	8	"InChI=1S/C15H14N2O9/c1-7-4-5-8(17(23)24)6-9(7)16-13(20)11(18)10(14(21)25-2)12(19)15(22)26-3/h4-6,10H,1-3H3,(H,16,20)"	CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)C(C(=O)C(=O)OC)C(=O)OC	NEWZCRLXURYSLJ-UHFFFAOYSA-N
DG54012	"3-(3-hydroxy-7,12-dioxo-naphtho[2,3-h]quinoxalin-2-yl)-N-(2-nitrophenyl)-2-oxo-propanamide"	369560	"NSC641424; CHEMBL1967944; SCHEMBL15087109; ZINC8653534; NSC-641424; NCI60_013990; 3-(3-hydroxy-7,12-dioxo-naphtho[2,3-h]quinoxalin-2-yl)-N-(2-nitrophenyl)-2-oxo-propanamide; Naphtho[2,3-f]quinoxaline-2-propanamide, 7,12-dihydro-3-hydroxy-N-(2-nitrophenyl)-alpha,7,12-trioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641424	.	.	.	.	482.4	C25H14N4O7	168	1030	2.9	36	2	8	4	"InChI=1S/C25H14N4O7/c30-19(25(34)27-15-7-3-4-8-18(15)29(35)36)11-17-24(33)28-16-10-9-14-20(21(16)26-17)23(32)13-6-2-1-5-12(13)22(14)31/h1-10H,11H2,(H,27,34)(H,28,33)"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC(=O)C(=N4)CC(=O)C(=O)NC5=CC=CC=C5[N+](=O)[O-]	JLBSZAPOFLSMGO-UHFFFAOYSA-N
DG54013	"2-(2-((2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)carbonyl)hydrazino)-N-(2-isopropyl-6-methylphenyl)-2-oxoacetamide"	369575	"NSC641444; CHEMBL1978716; ZINC1627629; NSC-641444; 2-(2-((2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)carbonyl)hydrazino)-N-(2-isopropyl-6-methylphenyl)-2-oxoacetamide; NCI60_014010; 2-[2-[2-(2-acetylhydrazino)-4-methyl-thiazole-5-carbonyl]hydrazino]-N-(2-isopropyl-6-methyl-phenyl)-2-oxo-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641444	.	.	.	.	432.5	C19H24N6O4S	170	661	3.6	30	5	7	5	"InChI=1S/C19H24N6O4S/c1-9(2)13-8-6-7-10(3)14(13)21-17(28)18(29)24-23-16(27)15-11(4)20-19(30-15)25-22-12(5)26/h6-9H,1-5H3,(H,20,25)(H,21,28)(H,22,26)(H,23,27)(H,24,29)"	CC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)NNC(=O)C2=C(N=C(S2)NNC(=O)C)C	MAHPTXQTVYSZRC-UHFFFAOYSA-N
DG54014	"1,1,2,2-Tetrachloro-3,4-bis(dichloromethylene)cyclobutane"	369620	"NSC641533; CHEMBL1982171; 1,1,2,2-Tetrachloro-3,4-bis(dichloromethylene)cyclobutane; DTXSID20327286; ZINC1627666; NSC-641533; 1680-65-5; NCI60_014053; Cyclobutane,3,4,4-tetrachloro- 1,2-bis(dichloromethylene)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641533	.	.	.	.	355.7	C6Cl8	0	294	5	14	0	0	0	"InChI=1S/C6Cl8/c7-3(8)1-2(4(9)10)6(13,14)5(1,11)12"	C1(=C(Cl)Cl)C(=C(Cl)Cl)C(C1(Cl)Cl)(Cl)Cl	WNYCWKSFQDZCCY-UHFFFAOYSA-N
DG54015	Ethyl 6-chloro-4-phenyl-2-(1-piperazinylmethyl)-3-quinolinecarboxylate	369623	"NSC641536; MLS002701535; Ethyl 6-chloro-4-phenyl-2-(1-piperazinylmethyl)-3-quinolinecarboxylate; CHEMBL1886525; SCHEMBL18814507; ZINC19365346; ethyl 6-chloro-4-phenyl-2-(piperazin-1-ylmethyl)quinoline-3-carboxylate; NSC-641536; Quinoline-3-carboxylic acid, ethyl ester; NCI60_014056; SMR001565136"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641536	.	.	.	.	409.9	C23H24ClN3O2	54.5	536	3.9	29	1	5	6	"InChI=1S/C23H24ClN3O2/c1-2-29-23(28)22-20(15-27-12-10-25-11-13-27)26-19-9-8-17(24)14-18(19)21(22)16-6-4-3-5-7-16/h3-9,14,25H,2,10-13,15H2,1H3"	CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N=C1CN3CCNCC3)C4=CC=CC=C4	ZMUYHDADZJBKGT-UHFFFAOYSA-N
DG54016	"2-(3,5-Dibromo-2,6-dimethoxyphenyl)-1H-pyrrole"	369631	"NSC641541; 2-(3,5-Dibromo-2,6-dimethoxyphenyl)-1H-pyrrole; 2-(3',5'-Dibrom-2',6'-dimethoxyphenyl)-1H-pyrrol; CHEMBL1970945; NSC-641541; 125714-90-1; NCI60_014061; 2-(3,5-dibromo-2,6-dimethoxy-phenyl)-1H-pyrrole; 1,5-Dibromo-2,4-dimethoxy-3-(1H-pyrrol-2-yl)benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641541	.	.	.	.	361.03	C12H11Br2NO2	34.2	239	3.7	17	1	2	3	"InChI=1S/C12H11Br2NO2/c1-16-11-7(13)6-8(14)12(17-2)10(11)9-4-3-5-15-9/h3-6,15H,1-2H3"	COC1=C(C(=C(C=C1Br)Br)OC)C2=CC=CN2	VHAPZCVSMZGFMN-UHFFFAOYSA-N
DG54017	"3-Benzoyl-2-methylnaphtho[2,3-b]furan-4,9-dione"	369639	"NSC641594; 3-Benzoyl-2-methylnaphtho[2,3-b]furan-4,9-dione; CHEMBL1986472; ZINC408471; NSC-641594; NCI60_014069; 3-benzoyl-2-methyl-benzo[f]benzofuran-4,9-dione; 2-Methyl-3-benzoylnaphtho[2,3-b]furan-4,9-dione; 2-methyl-3-benzoyl-4,9-dihydronaphtho[2,3-b]furan-4,9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641594	.	.	.	.	316.3	C20H12O4	64.4	548	4	24	0	4	2	"InChI=1S/C20H12O4/c1-11-15(17(21)12-7-3-2-4-8-12)16-18(22)13-9-5-6-10-14(13)19(23)20(16)24-11/h2-10H,1H3"	CC1=C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CC=C4	LNYQSJFKIKAWNL-UHFFFAOYSA-N
DG54018	"2-methyl-N-(o-tolyl)-4,9-dioxo-benzo[f]benzofuran-3-carboxamide"	369640	"NSC641595; CHEMBL1979927; NSC-641595; 2-Methyl-4,9-dioxo-4,9-dihydro-naphtho[2,3-b]furan-3-carboxylic acid o-tolylamide; NCI60_014070; 2-methyl-N-(o-tolyl)-4,9-dioxo-benzo[f]benzofuran-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641595	.	.	.	.	345.3	C21H15NO4	76.4	603	3.9	26	1	4	2	"InChI=1S/C21H15NO4/c1-11-7-3-6-10-15(11)22-21(25)16-12(2)26-20-17(16)18(23)13-8-4-5-9-14(13)19(20)24/h3-10H,1-2H3,(H,22,25)"	CC1=CC=CC=C1NC(=O)C2=C(OC3=C2C(=O)C4=CC=CC=C4C3=O)C	GXUFIMIBJLPYBK-UHFFFAOYSA-N
DG54019	1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-2-phenylethanone	369641	NSC641596; CHEMBL1986195; 1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-2-phenylethanone; NSC-641596; NCI60_014071; 1-(6-chloro-3-hydroxy-quinoxalin-2-yl)-2-hydroxy-2-phenyl-ethanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641596	.	.	.	.	314.72	C16H11ClN2O3	78.8	488	2.2	22	2	4	3	"InChI=1S/C16H11ClN2O3/c17-10-6-7-11-12(8-10)19-16(22)13(18-11)15(21)14(20)9-4-2-1-3-5-9/h1-8,14,20H,(H,19,22)"	C1=CC=C(C=C1)C(C(=O)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O	LHJMXYKCYVXKAC-UHFFFAOYSA-N
DG54020	(4-(Benzoylamino)phenyl)sulfonyl(3-(hexylamino)-3-oxopropyl)carbamic acid	369700	NSC641717; CHEMBL1988720; (4-(Benzoylamino)phenyl)sulfonyl(3-(hexylamino)-3-oxopropyl)carbamic acid; NSC-641717; NCI60_014107; (4-benzamidophenyl)sulfonyl-[3-(hexylamino)-3-oxo-propyl]carbamic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641717	.	.	.	.	475.6	C23H29N3O6S	141	738	3.3	33	3	6	12	"InChI=1S/C23H29N3O6S/c1-2-3-4-8-16-24-21(27)15-17-26(23(29)30)33(31,32)20-13-11-19(12-14-20)25-22(28)18-9-6-5-7-10-18/h5-7,9-14H,2-4,8,15-17H2,1H3,(H,24,27)(H,25,28)(H,29,30)"	CCCCCCNC(=O)CCN(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2	FXYLHVOJWYXULB-UHFFFAOYSA-N
DG54021	"2-[(E)-[1-[3-(4-methylanilino)-3-oxo-propanoyl]-3,5-diphenyl-pyrazol-4-yl]azo]benzoic acid"	369709	"NSC641756; CHEMBL1985539; NSC-641756; NCI60_014116; 2-[(E)-[1-[3-(4-methylanilino)-3-oxo-propanoyl]-3,5-diphenyl-pyrazol-4-yl]azo]benzoic acid; Benzoic acid, 2-[(E)-[1-[3-[(4-methylphenyl)amino]-1,3-dioxopropyl]-3,5-diphenyl-1H-pyrazol-4-yl]azo]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641756	.	.	.	.	543.6	C32H25N5O4	126	923	6.7	41	2	7	8	"InChI=1S/C32H25N5O4/c1-21-16-18-24(19-17-21)33-27(38)20-28(39)37-31(23-12-6-3-7-13-23)30(29(36-37)22-10-4-2-5-11-22)35-34-26-15-9-8-14-25(26)32(40)41/h2-19H,20H2,1H3,(H,33,38)(H,40,41)"	CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=CC=C4C(=O)O)C5=CC=CC=C5	MTJOFYQFUWLWLQ-UHFFFAOYSA-N
DG54022	"(1R,8S)-8-hydroxy-15-oxatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),4,11-triene-3,6,14-trione"	369716	NSC641810; CHEMBL1970155; NSC-641810; NCI60_014122	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641810	.	.	.	.	272.25	C15H12O5	80.7	639	-0.2	20	1	5	0	"InChI=1S/C15H12O5/c16-8-4-5-9(17)12-11(8)13(18)6-2-1-3-7-10(6)14(12)20-15(7)19/h1,3-7,10,13-14,18H,2H2/t6 ,7 ,10 ,13-,14+/m0/s1"	C1C=CC2C3C1[C@@H](C4=C([C@@H]3OC2=O)C(=O)C=CC4=O)O	FWJHNMSQMBRCJF-GCVQNUKYSA-N
DG54023	NSC641818	369723	1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(4-(2-(6-chloro-3-hydroxy-2-quinoxalinyl)-1-hydroxy-2-propenyl)phenyl)-2-hydroxyethanone; NSC641818; CHEMBL1965076; NSC-641818; NCI60_014128; 1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(4-(2-(6-chloro-3-hydroxy-2-quinoxalinyl)-1-hydroxy-2-propenyl)phenyl)-2-hydroxyethanone; 1-(6-chloro-3-hydroxy-quinoxalin-2-yl)-2-[4-[2-(6-chloro-3-hydroxy-quinoxalin-2-yl)-1-hydroxy-allyl]phenyl]-2-hydroxy-ethanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641818	.	.	.	.	549.4	C27H18Cl2N4O5	140	1060	3.1	38	4	7	6	"InChI=1S/C27H18Cl2N4O5/c1-12(21-26(37)32-19-10-15(28)6-8-17(19)30-21)23(34)13-2-4-14(5-3-13)24(35)25(36)22-27(38)33-20-11-16(29)7-9-18(20)31-22/h2-11,23-24,34-35H,1H2,(H,32,37)(H,33,38)"	C=C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(C3=CC=C(C=C3)C(C(=O)C4=NC5=C(C=C(C=C5)Cl)NC4=O)O)O	BQTSHKGFVYSUCO-UHFFFAOYSA-N
DG54024	"Methyl 4-(2-ethyl-6-isopropylanilino)-2-((3-hydroxy-2-quinoxalinyl)methyl)-3,4-dioxobutanoate"	369798	"NSC641991; CHEMBL1993953; NSC-641991; Methyl 4-(2-ethyl-6-isopropylanilino)-2-((3-hydroxy-2-quinoxalinyl)methyl)-3,4-dioxobutanoate; NCI60_014193; methyl 4-(2-ethyl-6-isopropyl-anilino)-2-[(3-hydroxyquinoxalin-2-yl)methyl]-3,4-dioxo-butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641991	.	.	.	.	449.5	C25H27N3O5	114	793	3.4	33	2	6	9	"InChI=1S/C25H27N3O5/c1-5-15-9-8-10-16(14(2)3)21(15)28-24(31)22(29)17(25(32)33-4)13-20-23(30)27-19-12-7-6-11-18(19)26-20/h6-12,14,17H,5,13H2,1-4H3,(H,27,30)(H,28,31)"	CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C(CC2=NC3=CC=CC=C3NC2=O)C(=O)OC	HIZPXEKYWKIHGU-UHFFFAOYSA-N
DG54025	"Dimethyl 2-(2-((3-(3-acetylanilino)-2,3-dioxopropyl)sulfonyl)ethyl)malonate"	369802	"NSC641995; CHEMBL1974597; ZINC5810018; Dimethyl 2-(2-((3-(3-acetylanilino)-2,3-dioxopropyl)sulfonyl)ethyl)malonate; NSC-641995; NCI60_014197; dimethyl 2-[2-[3-(3-acetylanilino)-2,3-dioxo-propyl]sulfonylethyl]propanedioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641995	.	.	.	.	427.4	C18H21NO9S	158	738	0.4	29	1	9	12	"InChI=1S/C18H21NO9S/c1-11(20)12-5-4-6-13(9-12)19-16(22)15(21)10-29(25,26)8-7-14(17(23)27-2)18(24)28-3/h4-6,9,14H,7-8,10H2,1-3H3,(H,19,22)"	CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)CS(=O)(=O)CCC(C(=O)OC)C(=O)OC	XAPAZSOEELAPEI-UHFFFAOYSA-N
DG54026	"4-[1,1'-Biphenyl]-2-yl-N-(2-cyanophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	369825	"NSC642021; CHEMBL1976674; NSC-642021; 4-[1,1'-Biphenyl]-2-yl-N-(2-cyanophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide; NCI60_014223; N-(2-cyanophenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)-4-(2-phenylphenyl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642021	.	.	.	.	500.5	C31H20N2O5	113	963	5.6	38	1	6	7	"InChI=1S/C31H20N2O5/c32-18-20-12-4-9-17-25(20)33-30(36)28(35)26(29-23-15-7-8-16-24(23)31(37)38-29)27(34)22-14-6-5-13-21(22)19-10-2-1-3-11-19/h1-17,26,29H,(H,33,36)"	C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC=CC=C5C#N	XBUSUHDJJXJPTO-UHFFFAOYSA-N
DG54027	"4-[1,1'-Biphenyl]-2-yl-N-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	369827	"NSC642024; 4-[1,1'-Biphenyl]-2-yl-N-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide; CHEMBL1997162; AKOS024426437; MCULE-7445179290; NSC-642024; NCI60_014226; N-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)-4-(2-phenylphenyl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642024	.	.	.	.	544.4	C30H19Cl2NO5	89.5	905	6.6	38	1	5	7	"InChI=1S/C30H19Cl2NO5/c31-23-15-14-18(16-24(23)32)33-29(36)27(35)25(28-21-12-6-7-13-22(21)30(37)38-28)26(34)20-11-5-4-10-19(20)17-8-2-1-3-9-17/h1-16,25,28H,(H,33,36)"	C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC(=C(C=C5)Cl)Cl	QYLHPFHJVVRQAO-UHFFFAOYSA-N
DG54028	"N-(2,6-diisopropylphenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)-4-(2-phenylphenyl)butanamide"	369829	"NSC642026; CHEMBL2002721; NSC-642026; NCI60_014228; 4-[1,1'-Biphenyl]-2-yl-N-(2,6-diisopropylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide; N-(2,6-diisopropylphenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)-4-(2-phenylphenyl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642026	.	.	.	.	559.6	C36H33NO5	89.5	967	7.6	42	1	5	9	"InChI=1S/C36H33NO5/c1-21(2)24-19-12-20-25(22(3)4)31(24)37-35(40)33(39)30(34-28-17-10-11-18-29(28)36(41)42-34)32(38)27-16-9-8-15-26(27)23-13-6-5-7-14-23/h5-22,30,34H,1-4H3,(H,37,40)"	CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4C5=CC=CC=C5	SNWBQTFUIPYXSV-UHFFFAOYSA-N
DG54029	"Methyl 5-(2,4-dimethylanilino)-3-(3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate"	369854	"NSC642051; CHEMBL1994189; NSC-642051; Methyl 5-(2,4-dimethylanilino)-3-(3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate; NCI60_014253; methyl 5-(2,4-dimethylanilino)-3-(3-hydroxyquinoxalin-2-yl)-2,4,5-trioxo-pentanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642051	.	.	.	.	421.4	C22H19N3O6	131	807	2.3	31	2	7	7	"InChI=1S/C22H19N3O6/c1-11-8-9-13(12(2)10-11)24-21(29)18(26)16(19(27)22(30)31-3)17-20(28)25-15-7-5-4-6-14(15)23-17/h4-10,16H,1-3H3,(H,24,29)(H,25,28)"	CC1=CC(=C(C=C1)NC(=O)C(=O)C(C2=NC3=CC=CC=C3NC2=O)C(=O)C(=O)OC)C	KDZVLAIHJHIPTG-UHFFFAOYSA-N
DG54030	"N-(4-Bromophenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide"	369876	"NSC642069; CHEMBL2006472; ZINC1627926; N-(4-Bromophenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide; NSC-642069; NCI60_014271; N-(4-bromophenyl)-2-oxo-2-(2,4,6-trioxohexahydropyrimidin-5-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642069	.	.	.	.	354.11	C12H8BrN3O5	121	493	0.5	21	3	5	3	"InChI=1S/C12H8BrN3O5/c13-5-1-3-6(4-2-5)14-11(20)8(17)7-9(18)15-12(21)16-10(7)19/h1-4,7H,(H,14,20)(H2,15,16,18,19,21)"	C1=CC(=CC=C1NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)Br	LDGJXINPDDYTPM-UHFFFAOYSA-N
DG54031	"N-(3-((3,4-Dimethoxybenzyl)amino)-2-phenyl-7-(trifluoromethyl)-5-quinoxalinyl)acetamide"	369881	"NSC642075; CHEMBL1989992; NSC-642075; N-(3-((3,4-Dimethoxybenzyl)amino)-2-phenyl-7-(trifluoromethyl)-5-quinoxalinyl)acetamide; N-[3-[(3,4-dimethoxyphenyl)methylamino]-2-phenyl-7-(trifluoromethyl)quinoxalin-5-yl]acetamide; NCI60_014276; N-(3,4-Dimethoxybenzyl)-3-phenyl-6-(trifluoromethyl)-8-(acetylamino)quinoxalin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642075	.	.	.	.	496.5	C26H23F3N4O3	85.4	721	4.7	36	2	9	7	"InChI=1S/C26H23F3N4O3/c1-15(34)31-19-12-18(26(27,28)29)13-20-24(19)33-25(23(32-20)17-7-5-4-6-8-17)30-14-16-9-10-21(35-2)22(11-16)36-3/h4-13H,14H2,1-3H3,(H,30,33)(H,31,34)"	CC(=O)NC1=CC(=CC2=C1N=C(C(=N2)C3=CC=CC=C3)NCC4=CC(=C(C=C4)OC)OC)C(F)(F)F	AMZRLSFFKGEKRW-UHFFFAOYSA-N
DG54032	"3-Phenyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxybenzyl)-2-quinoxalinamine"	369883	"NSC642077; CHEMBL1971640; 3-Phenyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxybenzyl)-2-quinoxalinamine; NSC-642077; 3-phenyl-6-(trifluoromethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]quinoxalin-2-amine; NCI60_014278; N-(3,4,5-Trimethoxybenzyl)-3-phenyl-6-(trifluoromethyl)quinoxalin-2-amine; N-(3-Phenyl-6-(trifluoromethyl)-2-quinoxalinyl)-N-(3,4,5-trimethoxybenzyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642077	.	.	.	.	469.5	C25H22F3N3O3	65.5	620	5.5	34	1	9	7	"InChI=1S/C25H22F3N3O3/c1-32-20-11-15(12-21(33-2)23(20)34-3)14-29-24-22(16-7-5-4-6-8-16)30-19-13-17(25(26,27)28)9-10-18(19)31-24/h4-13H,14H2,1-3H3,(H,29,31)"	COC1=CC(=CC(=C1OC)OC)CNC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4	NHAJKNRIXZORCC-UHFFFAOYSA-N
DG54033	Dipropyl 2-((4-((3-(2-thienyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate	369885	NSC642079; CHEMBL1978273; SCHEMBL14027298; NSC-642079; Dipropyl 2-((4-((3-(2-thienyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate; NCI60_014280; 2-[[4-[[3-(2-Thienyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid dipropyl ester; dipropyl 2-[[4-[[3-(2-thienyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642079	.	.	.	.	560.7	C30H32N4O5S	148	824	5.7	40	2	9	15	"InChI=1S/C30H32N4O5S/c1-3-17-38-26(35)16-15-24(30(37)39-18-4-2)34-29(36)20-11-13-21(14-12-20)31-28-27(25-10-7-19-40-25)32-22-8-5-6-9-23(22)33-28/h5-14,19,24H,3-4,15-18H2,1-2H3,(H,31,33)(H,34,36)"	CCCOC(=O)CCC(C(=O)OCCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4	VNKIRUGRQZDJIX-UHFFFAOYSA-N
DG54034	NSC642099	369902	"[(2S,9R,10S,11R)-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate; Longikaurin B; NSC642099; NSC-642099"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642099	.	.	.	.	406.5	C22H30O7	113	809	0.6	29	3	7	3	"InChI=1S/C22H30O7/c1-11-13-5-6-14-20-8-4-7-19(3,9-28-12(2)23)15(20)18(26)22(27,29-10-20)21(14,16(11)24)17(13)25/h13-15,17-18,25-27H,1,4-10H2,2-3H3/t13 ,14-,15+,17 ,18-,19 ,20 ,21 ,22-/m0/s1"	CC(=O)OCC1(CCCC23[C@@H]1[C@@H]([C@@](C45[C@H]2CCC(C4O)C(=C)C5=O)(OC3)O)O)C	JMCGQPHJXFUMBU-WYJBFGOZSA-N
DG54035	NSC642195	369904	"4-Benzyl 2-ethyl 5-((((3-((benzyloxy)carbonyl)-5-(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl)methyl)(methyl)amino)methyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate; NSC642195; CHEMBL1993438; NSC-642195; 4-Benzyl 2-ethyl 5-((((3-((benzyloxy)carbonyl)-5-(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl)methyl)(methyl)amino)methyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate; NCI60_014287; O4-benzyl O2-ethyl 5-[[(3-benzyloxycarbonyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl-methyl-amino]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642195	.	.	.	.	629.7	C35H39N3O8	140	936	5.4	46	2	9	18	"InChI=1S/C35H39N3O8/c1-6-43-34(41)30-22(3)28(32(39)45-20-24-14-10-8-11-15-24)26(36-30)18-38(5)19-27-29(23(4)31(37-27)35(42)44-7-2)33(40)46-21-25-16-12-9-13-17-25/h8-17,36-37H,6-7,18-21H2,1-5H3"	CCOC(=O)C1=C(C(=C(N1)CN(C)CC2=C(C(=C(N2)C(=O)OCC)C)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C	PFVWLKLJNMAXMJ-UHFFFAOYSA-N
DG54036	NSC642276	369909	"[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 3-aminobenzoate; NSC642276; CHEMBL1991071; NSC-642276; NCI60_014289"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642276	.	.	.	.	519.5	C28H25NO9	136	872	3.2	38	2	10	6	"InChI=1S/C28H25NO9/c1-33-21-7-14(8-22(34-2)25(21)30)23-16-9-19-20(37-12-36-19)10-17(16)26(18-11-35-28(32)24(18)23)38-27(31)13-4-3-5-15(29)6-13/h3-10,18,23-24,26,30H,11-12,29H2,1-2H3/t18 ,23-,24+,26-/m1/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)OC(=O)C6=CC(=CC=C6)N	SDMJEXGVQHJCSY-DBGJTOQZSA-N
DG54037	NSC642277	369910	"N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-aminobenzamide; NSC642277; CHEMBL1978718; NSC-642277; NCI60_014290"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642277	.	.	.	.	518.5	C28H26N2O8	139	875	2.7	38	3	9	5	"InChI=1S/C28H26N2O8/c1-34-21-7-14(8-22(35-2)26(21)31)23-16-9-19-20(38-12-37-19)10-17(16)25(18-11-36-28(33)24(18)23)30-27(32)13-4-3-5-15(29)6-13/h3-10,18,23-25,31H,11-12,29H2,1-2H3,(H,30,32)/t18 ,23-,24+,25-/m1/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC(=CC=C6)N	JMRUILHDLBCBSY-DNKJSPPKSA-N
DG54038	NSC642278	369911	"N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-nitrobenzamide; NSC642278; CHEMBL1980080; NSC-642278; NCI60_014291"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642278	.	.	.	.	548.5	C28H24N2O10	158	961	3.2	40	2	10	5	"InChI=1S/C28H24N2O10/c1-36-21-7-14(8-22(37-2)26(21)31)23-16-9-19-20(40-12-39-19)10-17(16)25(18-11-38-28(33)24(18)23)29-27(32)13-4-3-5-15(6-13)30(34)35/h3-10,18,23-25,31H,11-12H2,1-2H3,(H,29,32)/t18 ,23-,24+,25-/m1/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC(=CC=C6)[N+](=O)[O-]	TXUFJZLSFLNLSU-DNKJSPPKSA-N
DG54039	"(5S,8aR,9R)-5-(benzylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	369912	NSC642279; CHEMBL1987681; NSC-642279; NCI60_014292	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642279	.	.	.	.	489.5	C28H27NO7	95.5	761	3.4	36	2	8	6	"InChI=1S/C28H27NO7/c1-32-22-8-16(9-23(33-2)27(22)30)24-17-10-20-21(36-14-35-20)11-18(17)26(19-13-34-28(31)25(19)24)29-12-15-6-4-3-5-7-15/h3-11,19,24-26,29-30H,12-14H2,1-2H3/t19 ,24-,25+,26-/m1/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NCC6=CC=CC=C6	XZLSTDFFFYMQHP-HIQAHLLCSA-N
DG54040	NSC642280	369913	"(5R,8aS,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(4-nitrophenyl)methylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one; NSC642280; CHEMBL1986017; NSC-642280; NCI60_014293"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642280	.	.	.	.	534.5	C28H26N2O9	141	879	3.3	39	2	10	6	"InChI=1S/C28H26N2O9/c1-35-22-7-15(8-23(36-2)27(22)31)24-17-9-20-21(39-13-38-20)10-18(17)26(19-12-37-28(32)25(19)24)29-11-14-3-5-16(6-4-14)30(33)34/h3-10,19,24-26,29,31H,11-13H2,1-2H3/t19 ,24-,25+,26-/m0/s1"	COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]3C(COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)NCC6=CC=C(C=C6)[N+](=O)[O-]	PXPYSACVTXZLEY-LRACKPSESA-N
DG54041	NSC642281	369914	"(5R,8aS,9S)-5-[(4-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one; NSC642281; CHEMBL1967416; NSC-642281; NCI60_014294"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642281	.	.	.	.	507.5	C28H26FNO7	95.5	795	3.5	37	2	9	6	"InChI=1S/C28H26FNO7/c1-33-22-7-15(8-23(34-2)27(22)31)24-17-9-20-21(37-13-36-20)10-18(17)26(19-12-35-28(32)25(19)24)30-11-14-3-5-16(29)6-4-14/h3-10,19,24-26,30-31H,11-13H2,1-2H3/t19 ,24-,25+,26-/m0/s1"	COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]3C(COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)NCC6=CC=C(C=C6)F	KPTPAZOGVODZMU-LRACKPSESA-N
DG54042	NSC642282	369915	"(5S,8aR,9R)-5-[(3-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one; NSC642282; CHEMBL2001247; NSC-642282; NCI60_014295"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642282	.	.	.	.	507.5	C28H26FNO7	95.5	803	3.5	37	2	9	6	"InChI=1S/C28H26FNO7/c1-33-22-7-15(8-23(34-2)27(22)31)24-17-9-20-21(37-13-36-20)10-18(17)26(19-12-35-28(32)25(19)24)30-11-14-4-3-5-16(29)6-14/h3-10,19,24-26,30-31H,11-13H2,1-2H3/t19 ,24-,25+,26-/m1/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NCC6=CC(=CC=C6)F	OLGPRXCDUWIWSG-HIQAHLLCSA-N
DG54043	NSC642283	369916	"(5S,8aR,9R)-5-[(2-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one; NSC642283; CHEMBL1994836; NSC-642283; NCI60_014296"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642283	.	.	.	.	507.5	C28H26FNO7	95.5	803	3.5	37	2	9	6	"InChI=1S/C28H26FNO7/c1-33-22-7-15(8-23(34-2)27(22)31)24-16-9-20-21(37-13-36-20)10-17(16)26(18-12-35-28(32)25(18)24)30-11-14-5-3-4-6-19(14)29/h3-10,18,24-26,30-31H,11-13H2,1-2H3/t18 ,24-,25+,26-/m1/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NCC6=CC=CC=C6F	JRBQYUOXPRFHDP-PSJIIWDDSA-N
DG54044	NSC642284	369917	"4-[[[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]methyl]benzonitrile; NSC642284; CHEMBL1986403; NSC-642284; NCI60_014297"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642284	.	.	.	.	514.5	C29H26N2O7	119	887	3.2	38	2	9	6	"InChI=1S/C29H26N2O7/c1-34-23-7-17(8-24(35-2)28(23)32)25-18-9-21-22(38-14-37-21)10-19(18)27(20-13-36-29(33)26(20)25)31-12-16-5-3-15(11-30)4-6-16/h3-10,20,25-27,31-32H,12-14H2,1-2H3/t20 ,25-,26+,27-/m1/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NCC6=CC=C(C=C6)C#N	LCRNHSVADVWRRI-BSAOIWFSSA-N
DG54045	NSC642285	369918	"N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-nitrobenzamide; NSC642285; CHEMBL1997261; NSC-642285; NCI60_014298"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642285	.	.	.	.	548.5	C28H24N2O10	158	953	3.2	40	2	10	5	"InChI=1S/C28H24N2O10/c1-36-21-7-14(8-22(37-2)26(21)31)23-16-9-19-20(40-12-39-19)10-17(16)25(18-11-38-28(33)24(18)23)29-27(32)13-3-5-15(6-4-13)30(34)35/h3-10,18,23-25,31H,11-12H2,1-2H3,(H,29,32)/t18 ,23-,24+,25-/m1/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=C(C=C6)[N+](=O)[O-]	ONMYWKWYJMFRDS-DNKJSPPKSA-N
DG54046	NSC642286	369919	"N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-aminobenzamide; CHEMBL2001596; NSC642286; NSC-642286; NCI60_014299"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642286	.	.	.	.	518.5	C28H26N2O8	139	867	2.7	38	3	9	5	"InChI=1S/C28H26N2O8/c1-34-21-7-14(8-22(35-2)26(21)31)23-16-9-19-20(38-12-37-19)10-17(16)25(18-11-36-28(33)24(18)23)30-27(32)13-3-5-15(29)6-4-13/h3-10,18,23-25,31H,11-12,29H2,1-2H3,(H,30,32)/t18 ,23-,24+,25-/m1/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=C(C=C6)N	HZBOAMGQGQJJAA-DNKJSPPKSA-N
DG54047	NSC642287	369920	"3-[[[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]methyl]benzonitrile; NSC642287; CHEMBL1971961; NSC-642287; NCI60_014300"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642287	.	.	.	.	514.5	C29H26N2O7	119	895	3.2	38	2	9	6	"InChI=1S/C29H26N2O7/c1-34-23-7-17(8-24(35-2)28(23)32)25-18-9-21-22(38-14-37-21)10-19(18)27(20-13-36-29(33)26(20)25)31-12-16-5-3-4-15(6-16)11-30/h3-10,20,25-27,31-32H,12-14H2,1-2H3/t20 ,25-,26+,27-/m1/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NCC6=CC(=CC=C6)C#N	BGSVFCXPJNDYMF-BSAOIWFSSA-N
DG54048	NSC642288	369921	"N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]benzamide; NSC642288; CHEMBL1973033; NSC-642288; NCI60_014301"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642288	.	.	.	.	503.5	C28H25NO8	113	834	3.3	37	2	8	5	"InChI=1S/C28H25NO8/c1-33-21-8-15(9-22(34-2)26(21)30)23-16-10-19-20(37-13-36-19)11-17(16)25(18-12-35-28(32)24(18)23)29-27(31)14-6-4-3-5-7-14/h3-11,18,23-25,30H,12-13H2,1-2H3,(H,29,31)/t18 ,23-,24+,25-/m1/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=CC=C6	WPOBOJKDLZJNIU-DNKJSPPKSA-N
DG54049	NSC642289	369922	"N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-fluorobenzamide; NSC642289; CHEMBL1985385; NSC-642289; NCI60_014302"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642289	.	.	.	.	521.5	C28H24FNO8	113	877	3.4	38	2	9	5	"InChI=1S/C28H24FNO8/c1-34-21-7-14(8-22(35-2)26(21)31)23-16-9-19-20(38-12-37-19)10-17(16)25(18-11-36-28(33)24(18)23)30-27(32)13-4-3-5-15(29)6-13/h3-10,18,23-25,31H,11-12H2,1-2H3,(H,30,32)/t18 ,23-,24+,25-/m1/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC(=CC=C6)F	UTCZLJDJSLLUIO-DNKJSPPKSA-N
DG54050	NSC642290	369923	"4-acetyl-N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]benzamide; NSC642290; CHEMBL1978829; NSC-642290; NCI60_014303"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642290	.	.	.	.	545.5	C30H27NO9	130	953	3	40	2	9	6	"InChI=1S/C30H27NO9/c1-14(32)15-4-6-16(7-5-15)29(34)31-27-19-11-22-21(39-13-40-22)10-18(19)25(26-20(27)12-38-30(26)35)17-8-23(36-2)28(33)24(9-17)37-3/h4-11,20,25-27,33H,12-13H2,1-3H3,(H,31,34)/t20 ,25-,26+,27-/m1/s1"	CC(=O)C1=CC=C(C=C1)C(=O)N[C@H]2C3COC(=O)[C@@H]3[C@@H](C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC	DEKGYEPHEASSDU-BSAOIWFSSA-N
DG54051	NSC642291	369924	"[4-[[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]carbamoyl]phenyl] acetate; NSC642291; CHEMBL1990955; NSC-642291; NCI60_014304"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642291	.	.	.	.	561.5	C30H27NO10	139	970	3.1	41	2	10	7	"InChI=1S/C30H27NO10/c1-14(32)41-17-6-4-15(5-7-17)29(34)31-27-19-11-22-21(39-13-40-22)10-18(19)25(26-20(27)12-38-30(26)35)16-8-23(36-2)28(33)24(9-16)37-3/h4-11,20,25-27,33H,12-13H2,1-3H3,(H,31,34)/t20 ,25-,26+,27-/m1/s1"	CC(=O)OC1=CC=C(C=C1)C(=O)N[C@H]2C3COC(=O)[C@@H]3[C@@H](C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC	HACZACBRPGFKJN-BSAOIWFSSA-N
DG54052	NSC642292	369925	"N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-cyanobenzamide; NSC642292; CHEMBL2006782; NSC-642292; NCI60_014305"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642292	.	.	.	.	528.5	C29H24N2O8	136	962	3.1	39	2	9	5	"InChI=1S/C29H24N2O8/c1-35-22-7-16(8-23(36-2)27(22)32)24-17-9-20-21(39-13-38-20)10-18(17)26(19-12-37-29(34)25(19)24)31-28(33)15-5-3-14(11-30)4-6-15/h3-10,19,24-26,32H,12-13H2,1-2H3,(H,31,33)/t19 ,24-,25+,26-/m1/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=C(C=C6)C#N	LZPJPJMBGOLYGX-HIQAHLLCSA-N
DG54053	NSC642293	369926	"N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-cyanobenzamide; NSC642293; CHEMBL1965667; NSC-642293; NCI60_014306"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642293	.	.	.	.	528.5	C29H24N2O8	136	970	3.1	39	2	9	5	"InChI=1S/C29H24N2O8/c1-35-22-7-16(8-23(36-2)27(22)32)24-17-9-20-21(39-13-38-20)10-18(17)26(19-12-37-29(34)25(19)24)31-28(33)15-5-3-4-14(6-15)11-30/h3-10,19,24-26,32H,12-13H2,1-2H3,(H,31,33)/t19 ,24-,25+,26-/m1/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=CC(=C6)C#N	KKXFGTXVRAMCKK-HIQAHLLCSA-N
DG54054	Antineoplastic-642294	369927	NSC642294; CHEMBL1990170; ANTINEOPLASTIC-642294; NSC-642294; NCI60_014307	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642294	.	.	.	.	504.5	C28H24O9	110	830	3.9	37	1	9	6	"InChI=1S/C28H24O9/c1-32-21-8-15(9-22(33-2)25(21)29)23-16-10-19-20(36-13-35-19)11-17(16)26(18-12-34-28(31)24(18)23)37-27(30)14-6-4-3-5-7-14/h3-11,18,23-24,26,29H,12-13H2,1-2H3/t18 ,23-,24+,26-/m1/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)OC(=O)C6=CC=CC=C6	UILRVLMYVFCLQD-DBGJTOQZSA-N
DG54055	NSC642295	369928	"[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 4-aminobenzoate; NSC642295; CHEMBL1993318; NSC-642295; NCI60_014308"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642295	.	.	.	.	519.5	C28H25NO9	136	864	3.2	38	2	10	6	"InChI=1S/C28H25NO9/c1-33-21-7-14(8-22(34-2)25(21)30)23-16-9-19-20(37-12-36-19)10-17(16)26(18-11-35-28(32)24(18)23)38-27(31)13-3-5-15(29)6-4-13/h3-10,18,23-24,26,30H,11-12,29H2,1-2H3/t18 ,23-,24+,26-/m1/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)OC(=O)C6=CC=C(C=C6)N	DJTWCPJMHSYCEW-DBGJTOQZSA-N
DG54056	NSC642296	369929	"[6-[[(2R,10S,15S)-7-acetyloxy-15-[(5R)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate; NSC642296; NSC-642296; NCI60_014309"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642296	.	.	.	.	753	C41H68O12	181	1390	4.5	53	5	12	13	"InChI=1S/C41H68O12/c1-21(17-25(44)34(48)37(6,7)49-10)24-11-16-41-20-40(24,41)15-12-27-38(8)14-13-29(51-23(3)43)36(4,5)28(38)18-30(39(27,41)9)53-35-33(47)32(46)31(45)26(52-35)19-50-22(2)42/h21,24-35,44-48H,11-20H2,1-10H3/t21 ,24-,25 ,26 ,27 ,28 ,29 ,30 ,31 ,32 ,33 ,34+,35 ,38+,39-,40 ,41 /m0/s1"	CC(CC([C@H](C(C)(C)OC)O)O)[C@@H]1CCC23C1(C2)CCC4[C@]3(C(CC5[C@@]4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C	TZKXHZFZNDJTCA-YLSOGLQASA-N
DG54057	NSC642297	369930	"[6-[[(2R,10S,15S)-7-acetyloxy-2,6,6,10-tetramethyl-15-[(5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate; NSC642297; NSC-642297; NCI60_014310"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642297	.	.	.	.	738.9	C40H66O12	192	1370	4	52	6	12	12	"InChI=1S/C40H66O12/c1-20(16-24(43)33(47)36(6,7)48)23-10-15-40-19-39(23,40)14-11-26-37(8)13-12-28(50-22(3)42)35(4,5)27(37)17-29(38(26,40)9)52-34-32(46)31(45)30(44)25(51-34)18-49-21(2)41/h20,23-34,43-48H,10-19H2,1-9H3/t20 ,23-,24 ,25 ,26 ,27 ,28 ,29 ,30 ,31 ,32 ,33+,34 ,37+,38-,39 ,40 /m0/s1"	CC(CC([C@H](C(C)(C)O)O)O)[C@@H]1CCC23C1(C2)CCC4[C@]3(C(CC5[C@@]4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C	LWBFDADHSVYUPS-YBWWVZCISA-N
DG54058	NSC642300	369933	"[6-[[(2R,10S,15S)-15-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-7-hydroxy-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate; NSC642300; NSC-642300; NCI60_014313"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642300	.	.	.	.	678.9	C38H62O10	158	1270	4.4	48	5	10	9	"InChI=1S/C38H62O10/c1-19(15-22(40)31-34(5,6)48-31)21-9-14-38-18-37(21,38)13-10-24-35(7)12-11-26(41)33(3,4)25(35)16-27(36(24,38)8)47-32-30(44)29(43)28(42)23(46-32)17-45-20(2)39/h19,21-32,40-44H,9-18H2,1-8H3/t19 ,21-,22 ,23 ,24 ,25 ,26 ,27 ,28 ,29 ,30 ,31 ,32 ,35+,36-,37 ,38 /m0/s1"	CC(CC(C1C(O1)(C)C)O)[C@@H]2CCC34C2(C3)CCC5[C@]4(C(CC6[C@@]5(CCC(C6(C)C)O)C)OC7C(C(C(C(O7)COC(=O)C)O)O)O)C	YJTJWLZANYUOEB-FEKFTJOESA-N
DG54059	"N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide"	369939	NSC642306; NSC-642306; NCI60_014319	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642306	.	.	.	.	435.5	C24H21NO5S	132	813	2.4	31	4	6	3	"InChI=1S/C24H21NO5S/c1-31-20-10-8-15-16(12-18(20)26)17(25-24(30)13-5-3-2-4-6-13)9-7-14-11-19(27)22(28)23(29)21(14)15/h2-6,8,10-12,17,27-29H,7,9H2,1H3,(H,25,30)"	CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=CC=C4	PIDLHEGBDOTGSP-UHFFFAOYSA-N
DG54060	"[4-[(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamoyl]phenyl] acetate"	369941	NSC642308; NSC-642308; NCI60_014321	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642308	.	.	.	.	493.5	C26H23NO7S	159	949	2.2	35	4	8	5	"InChI=1S/C26H23NO7S/c1-13(28)34-16-6-3-14(4-7-16)26(33)27-19-9-5-15-11-21(30)24(31)25(32)23(15)17-8-10-22(35-2)20(29)12-18(17)19/h3-4,6-8,10-12,19,30-32H,5,9H2,1-2H3,(H,27,33)"	CC(=O)OC1=CC=C(C=C1)C(=O)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)O)O)O	UISZIKHQQVAHJY-UHFFFAOYSA-N
DG54061	Colchicine analog	369942	NSC642309; Colchicine analog; NSC-642309; NCI60_014322	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642309	.	.	.	.	483.5	C24H21NO8S	193	905	1.4	34	7	9	3	"InChI=1S/C24H21NO8S/c1-34-19-5-3-12-13(9-15(19)26)14(4-2-10-6-18(29)22(31)23(32)20(10)12)25-24(33)11-7-16(27)21(30)17(28)8-11/h3,5-9,14,27-32H,2,4H2,1H3,(H,25,33)"	CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC(=C(C(=C4)O)O)O	YYOVLMOKLNEIBB-UHFFFAOYSA-N
DG54062	"4-cyano-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide"	369943	NSC642310; NSC-642310; NCI60_014323	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642310	.	.	.	.	460.5	C25H20N2O5S	156	940	2.2	33	4	7	3	"InChI=1S/C25H20N2O5S/c1-33-21-9-7-16-17(11-19(21)28)18(27-25(32)14-4-2-13(12-26)3-5-14)8-6-15-10-20(29)23(30)24(31)22(15)16/h2-5,7,9-11,18,29-31H,6,8H2,1H3,(H,27,32)"	CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=C(C=C4)C#N	PCAROGRDFPJYNB-UHFFFAOYSA-N
DG54063	"N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexadecanamide"	369944	"4945-41-9; NSC642311; DTXSID80964232; NSC-642311; NCI60_014324; N-[1,2,3-Trihydroxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]hexadecanimidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642311	.	.	.	.	569.8	C33H47NO5S	132	913	8.1	40	4	6	16	"InChI=1S/C33H47NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-30(37)34-26-19-17-23-21-28(36)32(38)33(39)31(23)24-18-20-29(40-2)27(35)22-25(24)26/h18,20-22,26,36,38-39H,3-17,19H2,1-2H3,(H,34,37)"	CCCCCCCCCCCCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)O)O)O	FBZHXZRNIYVAEX-UHFFFAOYSA-N
DG54064	"N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexanamide"	369945	NSC642312; NSC-642312; NCI60_014325	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642312	.	.	.	.	429.5	C23H27NO5S	132	759	2.7	30	4	6	6	"InChI=1S/C23H27NO5S/c1-3-4-5-6-20(27)24-16-9-7-13-11-18(26)22(28)23(29)21(13)14-8-10-19(30-2)17(25)12-15(14)16/h8,10-12,16,26,28-29H,3-7,9H2,1-2H3,(H,24,27)"	CCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)O)O)O	DUAFXJAIKLLICE-UHFFFAOYSA-N
DG54065	Antineoplastic-642313	369946	NSC642313; ANTINEOPLASTIC-642313; NSC-642313; NCI60_014326	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642313	.	.	.	.	495.6	C27H26FNO5S	99.2	894	3.5	35	1	7	6	"InChI=1S/C27H26FNO5S/c1-32-22-13-16-7-11-20(29-27(31)15-5-8-17(28)9-6-15)19-14-21(30)23(35-4)12-10-18(19)24(16)26(34-3)25(22)33-2/h5-6,8-10,12-14,20H,7,11H2,1-4H3,(H,29,31)"	COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=C(C=C4)F)OC)OC	FTBPECXVRQVZKY-UHFFFAOYSA-N
DG54066	Antineoplastic-642314	369947	NSC642314; ANTINEOPLASTIC-642314; NSC-642314; NCI60_014327	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642314	.	.	.	.	522.6	C27H26N2O7S	145	988	3.2	37	1	8	6	"InChI=1S/C27H26N2O7S/c1-34-22-13-15-8-10-20(28-27(31)16-6-5-7-17(12-16)29(32)33)19-14-21(30)23(37-4)11-9-18(19)24(15)26(36-3)25(22)35-2/h5-7,9,11-14,20H,8,10H2,1-4H3,(H,28,31)"	COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC)OC	CWFCMSGWUJNTEL-UHFFFAOYSA-N
DG54067	Antineoplastic-642315	369948	NSC642315; ANTINEOPLASTIC-642315; NSC-642315; NCI60_014328	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642315	.	.	.	.	535.6	C29H29NO7S	126	997	3.2	38	1	8	8	"InChI=1S/C29H29NO7S/c1-16(31)37-19-9-6-17(7-10-19)29(33)30-22-12-8-18-14-24(34-2)27(35-3)28(36-4)26(18)20-11-13-25(38-5)23(32)15-21(20)22/h6-7,9-11,13-15,22H,8,12H2,1-5H3,(H,30,33)"	CC(=O)OC1=CC=C(C=C1)C(=O)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC	SGYHIXFRQZKXIO-UHFFFAOYSA-N
DG54068	Antineoplastic-642316	369949	NSC642316; ANTINEOPLASTIC-642316; NSC-642316; NCI60_014329	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642316	.	.	.	.	625.7	C32H35NO10S	153	1120	3.9	44	1	11	12	"InChI=1S/C32H35NO10S/c1-8-42-32(36)43-28-23(37-2)14-18(15-24(28)38-3)31(35)33-21-11-9-17-13-25(39-4)29(40-5)30(41-6)27(17)19-10-12-26(44-7)22(34)16-20(19)21/h10,12-16,21H,8-9,11H2,1-7H3,(H,33,35)"	CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC)OC	HSTBDXBIEVMIKQ-UHFFFAOYSA-N
DG54069	"N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexadecanamide"	369950	NSC642317; NSC-642317; NCI60_014330	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642317	.	.	.	.	611.9	C36H53NO5S	99.2	959	9.1	43	1	6	19	"InChI=1S/C36H53NO5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(39)37-29-22-20-26-24-31(40-2)35(41-3)36(42-4)34(26)27-21-23-32(43-5)30(38)25-28(27)29/h21,23-25,29H,6-20,22H2,1-5H3,(H,37,39)"	CCCCCCCCCCCCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC	JHJCKKDPFRGDQP-UHFFFAOYSA-N
DG54070	Antineoplastic-642319	369952	NSC642319; ANTINEOPLASTIC-642319; NSC-642319; NCI60_014332	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642319	.	.	.	.	527.7	C30H41NO5S	99.2	866	5.8	37	1	6	13	"InChI=1S/C30H41NO5S/c1-6-7-8-9-10-11-12-13-27(33)31-23-16-14-20-18-25(34-2)29(35-3)30(36-4)28(20)21-15-17-26(37-5)24(32)19-22(21)23/h15,17-19,23H,6-14,16H2,1-5H3,(H,31,33)"	CCCCCCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC	OHTMCPHLARXTIF-UHFFFAOYSA-N
DG54071	"N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)tricosanamide"	369953	NSC642320; NSC-642320; NCI60_014333	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642320	.	.	.	.	710.1	C43H67NO5S	99.2	1070	12.9	50	1	6	26	"InChI=1S/C43H67NO5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-40(46)44-36-29-27-33-31-38(47-2)42(48-3)43(49-4)41(33)34-28-30-39(50-5)37(45)32-35(34)36/h28,30-32,36H,6-27,29H2,1-5H3,(H,44,46)"	CCCCCCCCCCCCCCCCCCCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC	HMKHTSVGLSHMHH-UHFFFAOYSA-N
DG54072	"5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone"	369954	"5,3'-dihydroxy-3,6,7,8,4'-pentamethoxyflavone; CHEMBL18351; NSC642321; SCHEMBL7921852; BDBM50470858; LMPK12113341; NSC-642321; NCI60_014334; 3',5-Dihydroxy-3,4',6,7,8-pentamethoxyflavone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642321	.	.	.	.	404.4	C20H20O9	113	621	3.1	29	2	9	6	"InChI=1S/C20H20O9/c1-24-11-7-6-9(8-10(11)21)15-17(25-2)13(22)12-14(23)18(26-3)20(28-5)19(27-4)16(12)29-15/h6-8,21,23H,1-5H3"	COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC)O	GVLMRDDSMVCWKB-UHFFFAOYSA-N
DG54073	NSC642322	369955	"5-[(5S,8aR)-5-(4-nitroanilino)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-3-methoxycyclohexa-3,5-diene-1,2-dione; NSC642322; NSC-642322; NCI60_014335"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642322	.	.	.	.	504.4	C26H20N2O9	146	1060	2.6	37	1	10	4	"InChI=1S/C26H20N2O9/c1-34-21-7-12(6-18(29)25(21)30)22-15-8-19-20(37-11-36-19)9-16(15)24(17-10-35-26(31)23(17)22)27-13-2-4-14(5-3-13)28(32)33/h2-9,17,22-24,27H,10-11H2,1H3/t17 ,22 ,23-,24+/m0/s1"	COC1=CC(=CC(=O)C1=O)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)[N+](=O)[O-]	BARQMCBVQOGZQU-DTFIVFDZSA-N
DG54074	NSC642323	369956	"ethyl 4-[[(5S,8aR)-9-(5-methoxy-3,4-dioxocyclohexa-1,5-dien-1-yl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate; NSC642323; NSC-642323; NCI60_014336"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642323	.	.	.	.	531.5	C29H25NO9	127	1090	3	39	1	10	7	"InChI=1S/C29H25NO9/c1-3-36-28(33)14-4-6-16(7-5-14)30-26-18-11-22-21(38-13-39-22)10-17(18)24(25-19(26)12-37-29(25)34)15-8-20(31)27(32)23(9-15)35-2/h4-11,19,24-26,30H,3,12-13H2,1-2H3/t19 ,24 ,25-,26+/m0/s1"	CCOC(=O)C1=CC=C(C=C1)N[C@H]2C3COC(=O)[C@@H]3C(C4=CC5=C(C=C24)OCO5)C6=CC(=O)C(=O)C(=C6)OC	ZCHXQEVPGKFYQP-LYJLOTJCSA-N
DG54075	NSC642324	369957	"5-[(5S,8aR)-5-(4-fluoroanilino)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-3-methoxycyclohexa-3,5-diene-1,2-dione; NSC642324; NSC-642324; NCI60_014337"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642324	.	.	.	.	477.4	C26H20FNO7	100	971	2.9	35	1	9	4	"InChI=1S/C26H20FNO7/c1-32-21-7-12(6-18(29)25(21)30)22-15-8-19-20(35-11-34-19)9-16(15)24(17-10-33-26(31)23(17)22)28-14-4-2-13(27)3-5-14/h2-9,17,22-24,28H,10-11H2,1H3/t17 ,22 ,23-,24+/m0/s1"	COC1=CC(=CC(=O)C1=O)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)F	VGQRFTLSIZXTJW-DTFIVFDZSA-N
DG54076	NSC642328	369961	"4-[[(4S,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzonitrile; NSC642328; 138355-96-1; DTXSID60930076; NSC-642328; NCI60_014338; 4-{[9-(4-Hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-4-yl]amino}benzonitrile; Benzonitrile,3,3a,4,9,9a-hexahydro-9-(4-hydroxy- 3,5-dimethoxyphenyl)-6,7-dimethoxy- 1-oxonaphtho[2,3-c]furan-4-yl]amino]-, [3aS-(3a.alpha.,4.beta.,9.alpha.,9a.beta.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642328	.	.	.	.	516.5	C29H28N2O7	119	856	3.9	38	2	9	7	"InChI=1S/C29H28N2O7/c1-34-21-11-18-19(12-22(21)35-2)27(31-17-7-5-15(13-30)6-8-17)20-14-38-29(33)26(20)25(18)16-9-23(36-3)28(32)24(10-16)37-4/h5-12,20,25-27,31-32H,14H2,1-4H3/t20 ,25 ,26-,27+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC(=C(C=C24)OC)OC)NC5=CC=C(C=C5)C#N	WGEAIKSPJFUISL-WXIMRCAWSA-N
DG54077	"Naphtho[2, 3,3a,4,9-tetrahydro-4-(4-fluorophenyl)-6,7-dimethoxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-"	369962	"NSC642329; NSC-642329; NCI60_014339; Naphtho[2, 3,3a,4,9-tetrahydro-4- (4-fluorophenyl)-6,7-dimethoxy-9-(4-hydroxy-3,5- dimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642329	.	.	.	.	509.5	C28H28FNO7	95.5	766	4.3	37	2	9	7	"InChI=1S/C28H28FNO7/c1-33-20-11-17-18(12-21(20)34-2)26(30-16-7-5-15(29)6-8-16)19-13-37-28(32)25(19)24(17)14-9-22(35-3)27(31)23(10-14)36-4/h5-12,19,24-26,30-31H,13H2,1-4H3/t19 ,24 ,25-,26+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC(=C(C=C24)OC)OC)NC5=CC=C(C=C5)F	CSADSJIFHRWKJO-LYJLOTJCSA-N
DG54078	O-(chloroacetylcarbamoyl)fumagillol	369976	"Tnp-470; 129298-91-5; O-(chloroacetylcarbamoyl)fumagillol; AGM-1470; tnp 470; Agm 1470; O-Chloroacetylcarbamoylfumagillol; DRG-0148; UNII-X47GR46481; CHEMBL424278; (3R,4S,5S,6R)-5-methoxy-4-((2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro[2.5]octan-6-yl (2-chloroacetyl)carbamate; CHEBI:90748; NSC-642492; X47GR46481; NSC642492; (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl (chloroacetyl)carbamate; Carbamic acid, N-(2-chloroacetyl)-, (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester; NSC 642492; CCRIS 8049; SCHEMBL1652694; DTXSID0041141; BDBM17446; ZINC3914617; CCG-208103; CS-8106; DB08633; (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl N-(2-chloroacetyl)carbamate; [(3R,6R,7S,8S)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamate; NCI60_014346; AGM-1470; NSC 642492; HY-101932; TNP-470, >=98% (HPLC); 298T915; J-005665; BRD-K53597484-001-01-9; Q27097825; (CHLOROACETYL)CARBAMIC ACID (3R,4S,5S,5R)-5-METHOXY-4-[(2R,3R)-2-METHYL-3-(3-METHYL-2-BUTENYL)OXIRANYL]-1-OXASPIRO[2.5]OCT-6-YL ESTER; [(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamate; Carbamic acid, (3R,4S,5S,6R)-5-methoxy-4-[ (2R,3R)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester; Carbamic acid, (chloroacetyl)-, (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester; Carbamic acid, (chloroacetyl)-, 5-methoxy-4-(2-methyl-3-(3-methyl-2-butenyl)oxiranyl)-1-oxaspiro(2.5)oct-6-yl ester, (3R-(3alpha,4alpha(2R*,3R*),5beta,6beta))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642492	.	.	.	.	401.9	C19H28ClNO6	89.7	636	2.5	27	1	6	7	"InChI=1S/C19H28ClNO6/c1-11(2)5-6-13-18(3,27-13)16-15(24-4)12(7-8-19(16)10-25-19)26-17(23)21-14(22)9-20/h5,12-13,15-16H,6-10H2,1-4H3,(H,21,22,23)/t12-,13-,15-,16-,18+,19+/m1/s1"	CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)NC(=O)CCl)OC)C	MSHZHSPISPJWHW-PVDLLORBSA-N
DG54079	"N-(3-Chlorophenyl)-3-oxo-3-(2-(2-oxo-2-((5-phenyl-1,3,4-thiadiazol-2-yl)amino)ethyl)hydrazino)propanamide"	370001	"NSC642565; N-(3-Chlorophenyl)-3-oxo-3-(2-(2-oxo-2-((5-phenyl-1,3,4-thiadiazol-2-yl)amino)ethyl)hydrazino)propanamide; N-(3-chlorophenyl)-3-oxo-3-[2-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]hydrazino]propanamide; CHEMBL1987157; ZINC1628507; NSC-642565; NCI60_014367"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642565	.	.	.	.	444.9	C19H17ClN6O3S	153	607	2.8	30	4	7	8	"InChI=1S/C19H17ClN6O3S/c20-13-7-4-8-14(9-13)22-15(27)10-16(28)24-21-11-17(29)23-19-26-25-18(30-19)12-5-2-1-3-6-12/h1-9,21H,10-11H2,(H,22,27)(H,24,28)(H,23,26,29)"	C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CNNC(=O)CC(=O)NC3=CC(=CC=C3)Cl	DIAURNOGQWMBSF-UHFFFAOYSA-N
DG54080	"2,6-Dinitrophenyl phenyl sulfone"	370024	"NSC642592; NSC-642592; 2,6-Dinitrophenyl phenyl sulfone; 2,6-diNO2Ph-SO2-Ph; CHEMBL1973798; 2-(benzenesulfonyl)-1,3-dinitro-benzene; NCI60_014389; Benzene, 1,3-dinitro-2-(phenylsulfonyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642592	.	.	.	.	308.27	C12H8N2O6S	134	475	2.4	21	0	6	2	"InChI=1S/C12H8N2O6S/c15-13(16)10-7-4-8-11(14(17)18)12(10)21(19,20)9-5-2-1-3-6-9/h1-8H"	C1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]	HMOFBCBFCRAODW-UHFFFAOYSA-N
DG54081	(1-Ethyl-4-hydroxy-1-methyl-4-phenylpiperidin-1-ium-3-yl)-phenylmethanone;bromide	370031	NSC642596; CHEMBL2001498; NSC-642596	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642596	.	.	.	.	404.3	C21H26BrNO2	37.3	439	.	25	1	3	4	"InChI=1S/C21H26NO2.BrH/c1-3-22(2)15-14-21(24,18-12-8-5-9-13-18)19(16-22)20(23)17-10-6-4-7-11-17;/h4-13,19,24H,3,14-16H2,1-2H3;1H/q+1;/p-1"	CC[N+]1(CCC(C(C1)C(=O)C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-]	WAOGMMNROBKUHL-UHFFFAOYSA-M
DG54082	[1-Ethyl-4-hydroxy-4-(4-methoxyphenyl)-1-methylpiperidin-1-ium-3-yl]-(4-methoxyphenyl)methanone;bromide	370033	MLS002701541; CHEMBL1720710; NSC642597; NSC-642597; SMR001565142	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642597	.	.	.	.	464.4	C23H30BrNO4	55.8	525	.	29	1	5	6	"InChI=1S/C23H30NO4.BrH/c1-5-24(2)15-14-23(26,18-8-12-20(28-4)13-9-18)21(16-24)22(25)17-6-10-19(27-3)11-7-17;/h6-13,21,26H,5,14-16H2,1-4H3;1H/q+1;/p-1"	CC[N+]1(CCC(C(C1)C(=O)C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)O)C.[Br-]	OFPDKHQLIRZXJE-UHFFFAOYSA-M
DG54083	1-(6-Chloro-3-hydroxy-quinoxalin-2-yl)-2-hydroxy-2-(3-nitrophenyl)ethanone	370079	NSC642638; CHEMBL1978295; NSC-642638; NCI60_014433; 1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-2-(3-(hydroxy(oxido)amino)phenyl)ethanone; 1-(6-chloro-3-hydroxy-quinoxalin-2-yl)-2-hydroxy-2-(3-nitrophenyl)ethanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642638	.	.	.	.	359.72	C16H10ClN3O5	125	605	2.1	25	2	6	3	"InChI=1S/C16H10ClN3O5/c17-9-4-5-11-12(7-9)19-16(23)13(18-11)15(22)14(21)8-2-1-3-10(6-8)20(24)25/h1-7,14,21H,(H,19,23)"	C1=CC(=CC(=C1)[N+](=O)[O-])C(C(=O)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O	DAGRAJRLTRMOGW-UHFFFAOYSA-N
DG54084	"2-(1,3-Benzodioxol-5-yl)-1-(6-chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxyethanone"	370089	"NSC642649; CHEMBL1995930; SCHEMBL20526867; NSC-642649; 2-(1,3-Benzodioxol-5-yl)-1-(6-chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxyethanone; NCI60_014444; 2-(1,3-benzodioxol-5-yl)-1-(6-chloro-3-hydroxy-quinoxalin-2-yl)-2-hydroxy-ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642649	.	.	.	.	358.7	C17H11ClN2O5	97.2	598	2.1	25	2	6	3	"InChI=1S/C17H11ClN2O5/c18-9-2-3-10-11(6-9)20-17(23)14(19-10)16(22)15(21)8-1-4-12-13(5-8)25-7-24-12/h1-6,15,21H,7H2,(H,20,23)"	C1OC2=C(O1)C=C(C=C2)C(C(=O)C3=NC4=C(C=C(C=C4)Cl)NC3=O)O	PTWWYQBPMSDVLV-UHFFFAOYSA-N
DG54085	"4a-chloro-10-ethyl-3-methyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione"	370138	NSC642728; CHEMBL1979396; NSC-642728; NCI60_014470	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642728	.	.	.	.	506	C23H24ClN3O4S2	121	929	3.7	33	0	5	5	"InChI=1S/C23H24ClN3O4S2/c1-5-27-17-9-7-6-8-16(17)18(23(24)20(27)25-22(29)26(3)21(23)28)19(32-4)33(30,31)15-12-10-14(2)11-13-15/h6-13,18-19H,5H2,1-4H3"	CCN1C2=CC=CC=C2C(C3(C1=NC(=O)N(C3=O)C)Cl)C(SC)S(=O)(=O)C4=CC=C(C=C4)C	WEWIUIRZQURFFB-UHFFFAOYSA-N
DG54086	2-(7-methyl-2-oxo-2H-chromen-4-yl)acetic acid	370162	"50402-83-0; 2-(7-methyl-2-oxo-2H-chromen-4-yl)acetic acid; (7-methyl-2-oxo-2H-chromen-4-yl)acetic acid; 2H-1-Benzopyran-4-acetic acid, 7-methyl-2-oxo-; 2-(7-methyl-2-oxochromen-4-yl)acetic acid; NSC642904; 7-methylcoumarin-4-acetic acid; Oprea1_101016; Oprea1_386960; CBDivE_000106; IFLab1_004856; CHEMBL1966785; SCHEMBL14341910; 7-Methyl-coumarin-4-acetic acid; DTXSID30964989; HMS1425M16; ZINC225819; CCG-15094; MFCD00458353; STK364508; AKOS002717955; MCULE-4547612874; NSC-642904; IDI1_010611; 50764-81-3; BS-38128; NCI60_014489; EU-0000124; 2-(7-methyl-2-oxo-chromen-4-yl)acetic acid; EN300-52319; 2-Oxo-7-methyl-2H-1-benzopyran-4-acetic acid; SR-01000389250; (7-Methyl-2-oxo-2H-1-benzopyran-4-yl)acetic acid; SR-01000389250-1; F1083-0010; Z763366238; (7-Methyl-2-oxo-2H-chromen-4-yl)acetic acid AldrichCPR; (7-Methyl-2-oxo-2H-chromen-4-yl)acetic acid, AldrichCPR"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642904	.	.	.	.	218.2	C12H10O4	63.6	345	1.3	16	1	4	2	"InChI=1S/C12H10O4/c1-7-2-3-9-8(5-11(13)14)6-12(15)16-10(9)4-7/h2-4,6H,5H2,1H3,(H,13,14)"	CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)O	VDQLZKYCWITDPF-UHFFFAOYSA-N
DG54087	Methyl 3-O-acetyl-2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxyhexopyranoside	370166	NSC642910; CHEMBL1986801; NSC-642910; Methyl 3-O-acetyl-2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxyhexopyranoside; NCI60_014494; [5-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl] acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642910	.	.	.	.	369.75	C12H20ClN3O8	147	454	0.5	24	3	9	7	"InChI=1S/C12H20ClN3O8/c1-6(18)23-10-8(14-12(20)16(15-21)4-3-13)11(22-2)24-7(5-17)9(10)19/h7-11,17,19H,3-5H2,1-2H3,(H,14,20)"	CC(=O)OC1C(C(OC(C1O)CO)OC)NC(=O)N(CCCl)N=O	FCDZYIGVKBCDSO-UHFFFAOYSA-N
DG54088	Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-dodecanoylhexopyranoside	370167	"NSC642911; CHEMBL2004206; NSC-642911; Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-dodecanoylhexopyranoside; NCI60_014495; [5-[[2-chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl dodecanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642911	.	.	.	.	510	C22H40ClN3O8	147	601	5.1	34	3	9	17	"InChI=1S/C22H40ClN3O8/c1-3-4-5-6-7-8-9-10-11-12-17(27)33-15-16-19(28)20(29)18(21(32-2)34-16)24-22(30)26(25-31)14-13-23/h16,18-21,28-29H,3-15H2,1-2H3,(H,24,30)"	CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC)NC(=O)N(CCCl)N=O)O)O	GBALTAYLJYHGJL-UHFFFAOYSA-N
DG54089	Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-tetradecanoylhexopyranoside	370168	"NSC642912; CHEMBL2003915; NSC-642912; Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-tetradecanoylhexopyranoside; NCI60_014496; [5-[[2-chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl tetradecanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642912	.	.	.	.	538.1	C24H44ClN3O8	147	630	6.1	36	3	9	19	"InChI=1S/C24H44ClN3O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(29)35-17-18-21(30)22(31)20(23(34-2)36-18)26-24(32)28(27-33)16-15-25/h18,20-23,30-31H,3-17H2,1-2H3,(H,26,32)"	CCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC)NC(=O)N(CCCl)N=O)O)O	AGMNHLXDWBTQPZ-UHFFFAOYSA-N
DG54090	Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-3-O-tetradecanoylhexopyranoside	370169	NSC642913; CHEMBL1976272; NSC-642913; Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-3-O-tetradecanoylhexopyranoside; NCI60_014497; [5-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl] tetradecanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642913	.	.	.	.	538.1	C24H44ClN3O8	147	630	5.6	36	3	9	19	"InChI=1S/C24H44ClN3O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(30)36-22-20(26-24(32)28(27-33)16-15-25)23(34-2)35-18(17-29)21(22)31/h18,20-23,29,31H,3-17H2,1-2H3,(H,26,32)"	CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1O)CO)OC)NC(=O)N(CCCl)N=O	MZTNCZVZALGRIZ-UHFFFAOYSA-N
DG54091	Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-stearoylhexopyranoside	370170	"NSC642914; CHEMBL2007470; NSC-642914; Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-stearoylhexopyranoside; NCI60_014498; [5-[[2-chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl octadecanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642914	.	.	.	.	594.2	C28H52ClN3O8	147	690	8.3	40	3	9	23	"InChI=1S/C28H52ClN3O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(33)39-21-22-25(34)26(35)24(27(38-2)40-22)30-28(36)32(31-37)20-19-29/h22,24-27,34-35H,3-21H2,1-2H3,(H,30,36)"	CCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC)NC(=O)N(CCCl)N=O)O)O	IEYIWXBJAVNHQT-UHFFFAOYSA-N
DG54092	"(3-(Bis(2-chloroethyl)amino)-9-hydroxy-6-methoxy-3-oxido-2,7-dioxa-4-aza-3-phosphabicyclo[3.3.1]non-8-yl)methyl palmitate"	370171	"NSC642915; Neuro_000320; CHEMBL1971165; NSC-642915; (3-(Bis(2-chloroethyl)amino)-9-hydroxy-6-methoxy-3-oxido-2,7-dioxa-4-aza-3-phosphabicyclo[3.3.1]non-8-yl)methyl palmitate; NCI60_014499; [3-[bis(2-chloroethyl)amino]-9-hydroxy-8-methoxy-3-oxo-4,7-dioxa-2-aza-3$l^{5}-phosphabicyclo[3.3.1]nonan-6-yl]methyl hexadecanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642915	.	.	.	.	617.6	C27H51Cl2N2O7P	107	718	6.8	39	2	9	23	"InChI=1S/C27H51Cl2N2O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(32)36-21-22-26-25(33)24(27(35-2)37-22)30-39(34,38-26)31(19-17-28)20-18-29/h22,24-27,33H,3-21H2,1-2H3,(H,30,34)"	CCCCCCCCCCCCCCCC(=O)OCC1C2C(C(C(O1)OC)NP(=O)(O2)N(CCCl)CCCl)O	JALYFSGCWRLNPP-UHFFFAOYSA-N
DG54093	Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-3-O-palmitoylhexopyranoside	370172	NSC642916; CHEMBL1969091; NSC-642916; Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-3-O-palmitoylhexopyranoside; NCI60_014500; [5-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl] hexadecanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642916	.	.	.	.	566.1	C26H48ClN3O8	147	660	6.7	38	3	9	21	"InChI=1S/C26H48ClN3O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(32)38-24-22(28-26(34)30(29-35)18-17-27)25(36-2)37-20(19-31)23(24)33/h20,22-25,31,33H,3-19H2,1-2H3,(H,28,34)"	CCCCCCCCCCCCCCCC(=O)OC1C(C(OC(C1O)CO)OC)NC(=O)N(CCCl)N=O	PONIAVAMAMBKHY-UHFFFAOYSA-N
DG54094	(6-Chloro-3-(dibromomethyl)-2-quinolinyl)(phenyl)methanone	370203	"NSC642947; (6-Chloro-3-(dibromomethyl)-2-quinolinyl)(phenyl)methanone; Neuro_000321; CHEMBL1994388; ZINC1628644; NSC-642947; NCI60_014530; [6-chloro-3-(dibromomethyl)-2-quinolyl]-phenyl-methanone; Methanone, [3-(dibromomethyl)-6-chloroquinolin-2-yl] phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642947	.	.	.	.	439.5	C17H10Br2ClNO	30	400	5.9	22	0	2	3	"InChI=1S/C17H10Br2ClNO/c18-17(19)13-9-11-8-12(20)6-7-14(11)21-15(13)16(22)10-4-2-1-3-5-10/h1-9,17H"	C1=CC=C(C=C1)C(=O)C2=C(C=C3C=C(C=CC3=N2)Cl)C(Br)Br	LBZVXXFIWDUKTA-UHFFFAOYSA-N
DG54095	"(5,8-Dichloro-3-(dibromomethyl)-2-quinolinyl)(phenyl)methanone"	370204	"NSC642948; (5,8-Dichloro-3-(dibromomethyl)-2-quinolinyl)(phenyl)methanone; CHEMBL1989614; NSC-642948; NCI60_014531; [5,8-dichloro-3-(dibromomethyl)-2-quinolyl]-phenyl-methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642948	.	.	.	.	474	C17H9Br2Cl2NO	30	431	6.6	23	0	2	3	"InChI=1S/C17H9Br2Cl2NO/c18-17(19)11-8-10-12(20)6-7-13(21)14(10)22-15(11)16(23)9-4-2-1-3-5-9/h1-8,17H"	C1=CC=C(C=C1)C(=O)C2=NC3=C(C=CC(=C3C=C2C(Br)Br)Cl)Cl	ORUKEOXCVZHQFF-UHFFFAOYSA-N
DG54096	(8-Hydroxy-2-quinolinyl)(phenyl)methanone	370206	NSC642950; (8-Hydroxy-2-quinolinyl)(phenyl)methanone; SCHEMBL1051395; CHEMBL1995272; NSC-642950; (8-hydroxy-2-quinolyl)-phenyl-methanone; NCI60_014533	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642950	.	.	.	.	249.26	C16H11NO2	50.2	325	3.5	19	1	3	2	"InChI=1S/C16H11NO2/c18-14-8-4-7-11-9-10-13(17-15(11)14)16(19)12-5-2-1-3-6-12/h1-10,18H"	C1=CC=C(C=C1)C(=O)C2=NC3=C(C=CC=C3O)C=C2	VAFYGDVFWDZPGU-UHFFFAOYSA-N
DG54097	(8-Methoxy-2-quinolinyl)(phenyl)methanone	370207	NSC642951; (8-Methoxy-2-quinolinyl)(phenyl)methanone; CHEMBL2005550; NSC-642951; (8-methoxy-2-quinolyl)-phenyl-methanone; NCI60_014534	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642951	.	.	.	.	263.29	C17H13NO2	39.2	338	3.8	20	0	3	3	"InChI=1S/C17H13NO2/c1-20-15-9-5-8-12-10-11-14(18-16(12)15)17(19)13-6-3-2-4-7-13/h2-11H,1H3"	COC1=CC=CC2=C1N=C(C=C2)C(=O)C3=CC=CC=C3	KPIGQDOHAUTNFS-UHFFFAOYSA-N
DG54098	(6-Methoxy-3-methyl-2-quinolinyl)(phenyl)methanone	370209	NSC642953; CHEMBL2001782; ZINC1628650; NSC-642953; NCI60_014536; (6-methoxy-3-methyl-2-quinolyl)-phenyl-methanone; (6-Methoxy-3-methyl-2-quinolinyl)(phenyl)methanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642953	.	.	.	.	277.3	C18H15NO2	39.2	364	4.2	21	0	3	3	"InChI=1S/C18H15NO2/c1-12-10-14-11-15(21-2)8-9-16(14)19-17(12)18(20)13-6-4-3-5-7-13/h3-11H,1-2H3"	CC1=CC2=C(C=CC(=C2)OC)N=C1C(=O)C3=CC=CC=C3	RITZNXFYIQMRQO-UHFFFAOYSA-N
DG54099	"(5,7-Dibromo-8-hydroxy-3-methyl-2-quinolinyl)(phenyl)methanone"	370210	"NSC642954; (5,7-Dibromo-8-hydroxy-3-methyl-2-quinolinyl)(phenyl)methanone; CHEMBL1977553; NSC-642954; NCI60_014537; (5,7-dibromo-8-hydroxy-3-methyl-2-quinolyl)-phenyl-methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642954	.	.	.	.	421.1	C17H11Br2NO2	50.2	414	5.3	22	1	3	2	"InChI=1S/C17H11Br2NO2/c1-9-7-11-12(18)8-13(19)17(22)15(11)20-14(9)16(21)10-5-3-2-4-6-10/h2-8,22H,1H3"	CC1=CC2=C(C(=C(C=C2Br)Br)O)N=C1C(=O)C3=CC=CC=C3	NGWZHHIVXCJLBA-UHFFFAOYSA-N
DG54100	"4-Hydroxybenzo[b]acridine-6,11-dione"	370220	"NSC642964; 4-Hydroxybenzo[b]acridine-6,11-dione; CHEMBL1983654; NSC-642964; NCI60_014547"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642964	.	.	.	.	275.26	C17H9NO3	67.3	463	3.1	21	1	4	0	"InChI=1S/C17H9NO3/c19-13-7-3-4-9-8-12-15(18-14(9)13)17(21)11-6-2-1-5-10(11)16(12)20/h1-8,19H"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N=C4C(=C3)C=CC=C4O	VCRWCHGPFSJJIG-UHFFFAOYSA-N
DG54101	NSC642970	370226	"[3,4,5-Triacetoxy-6-[4,5,6-triacetoxy-2-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanylmethyl]tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl acetate; NSC642970; CHEMBL1986565; NSC-642970; NCI60_014553; [3,4,5-triacetoxy-6-[4,5,6-triacetoxy-2-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanylmethyl]tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl acetate; 1,2,3-Tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)-6-S-(2,3,4,6-tetra-O-acetylhexopyranosyl)-6-thiohexopyranose"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642970	.	.	.	.	982.9	C40H54O26S	352	1850	-0.3	67	0	27	29	"InChI=1S/C40H54O26S/c1-15(41)52-12-26-29(54-17(3)43)32(56-19(5)45)36(60-23(9)49)39(63-26)66-31-28(64-38(62-25(11)51)35(59-22(8)48)33(31)57-20(6)46)14-67-40-37(61-24(10)50)34(58-21(7)47)30(55-18(4)44)27(65-40)13-53-16(2)42/h26-40H,12-14H2,1-11H3"	CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OC(=O)C)OC(=O)C)OC(=O)C)CSC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	YKKYTLMHVJCDAM-UHFFFAOYSA-N
DG54102	"6,6,13,13-Tetrachlorodibenzo[d,i][1,3,6,8,2,7]tetraoxadisilecine"	370228	"NSC642998; 6,6,13,13-Tetrachlorodibenzo[d,i][1,3,6,8,2,7]tetraoxadisilecine; CHEMBL1991891; ZINC195525340; NSC-642998; NCI60_014555"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642998	.	.	.	.	414.2	C12H8Cl4O4Si2	36.9	333	.	22	0	4	0	"InChI=1S/C12H8Cl4O4Si2/c13-21(14)17-9-5-1-2-6-10(9)18-22(15,16)20-12-8-4-3-7-11(12)19-21/h1-8H"	C1=CC=C2C(=C1)O[Si](OC3=CC=CC=C3O[Si](O2)(Cl)Cl)(Cl)Cl	BYFUAXVVABEMTE-UHFFFAOYSA-N
DG54103	"4a,8a-Dihydro-2-quinoxalinyl-N-benzylmethanesulfonamide"	370229	"NSC642999; 4a,8a-Dihydro-2-quinoxalinyl-N-benzylmethanesulfonamide; CHEMBL1970165; NSC-642999; NCI60_014556; 1-(4a,8a-dihydroquinoxalin-2-yl)-N-benzyl-methanesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642999	.	.	.	.	315.4	C16H17N3O2S	79.3	608	1.3	22	1	5	5	"InChI=1S/C16H17N3O2S/c20-22(21,18-10-13-6-2-1-3-7-13)12-14-11-17-15-8-4-5-9-16(15)19-14/h1-9,11,15-16,18H,10,12H2"	C1=CC=C(C=C1)CNS(=O)(=O)CC2=NC3C=CC=CC3N=C2	QUPWKWAFQDBZKW-UHFFFAOYSA-N
DG54104	2-(1H-Imidazol-2-ylmethyl)-5-(1H-imidazol-5-ylmethyl)-1H-imidazole	370230	"NSC643000; 2-(1H-Imidazol-2-ylmethyl)-5-(1H-imidazol-5-ylmethyl)-1H-imidazole; CHEMBL2004529; SCHEMBL15156141; ZINC1628676; NSC-643000; NCI60_014557; 2',2''-Methylene-4,4'-methylenetris(1H-imidazole); 4-(4-imidazolylmethyl)-2-(2-imidazolylmethyl)imidazole; 2-(1H-imidazol-2-ylmethyl)-4-(1H-imidazol-4-ylmethyl)-1H-imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643000	.	.	.	.	228.25	C11H12N6	86	248	0.3	17	3	3	4	"InChI=1S/C11H12N6/c1-2-14-10(13-1)4-11-15-6-9(17-11)3-8-5-12-7-16-8/h1-2,5-7H,3-4H2,(H,12,16)(H,13,14)(H,15,17)"	C1=CN=C(N1)CC2=NC=C(N2)CC3=CN=CN3	STVWNEVGTHFIJG-UHFFFAOYSA-N
DG54105	Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-octanoylhexopyranoside	370236	"NSC643006; CHEMBL1978503; NSC-643006; Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-octanoylhexopyranoside; NCI60_014562; [5-[[2-chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl octanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643006	.	.	.	.	453.9	C18H32ClN3O8	147	542	2.9	30	3	9	13	"InChI=1S/C18H32ClN3O8/c1-3-4-5-6-7-8-13(23)29-11-12-15(24)16(25)14(17(28-2)30-12)20-18(26)22(21-27)10-9-19/h12,14-17,24-25H,3-11H2,1-2H3,(H,20,26)"	CCCCCCCC(=O)OCC1C(C(C(C(O1)OC)NC(=O)N(CCCl)N=O)O)O	DHNBQAVDYAGDBE-UHFFFAOYSA-N
DG54106	Diethyl p-phenoxybenzalmalonate	370253	Diethyl p-phenoxybenzalmalonate; NSC643027; Diethyl 2-(4-phenoxybenzylidene)malonate; SCHEMBL3969823; CHEMBL1980460; ZINC1628699; NSC-643027; NCI60_014576; diethyl 2-[(4-phenoxyphenyl)methylene]propanedioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643027	.	.	.	.	340.4	C20H20O5	61.8	437	4.8	25	0	5	9	"InChI=1S/C20H20O5/c1-3-23-19(21)18(20(22)24-4-2)14-15-10-12-17(13-11-15)25-16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3"	CCOC(=O)C(=CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)OCC	NIFRYYIVUMNLJJ-UHFFFAOYSA-N
DG54107	"3,4-Bis(4-methylphenyl)-1,2,5-triphenyl-2,4-cyclopentadien-1-ol"	370267	"NSC643045; CHEMBL1992159; 3,4-Bis(4-methylphenyl)-1,2,5-triphenyl-2,4-cyclopentadien-1-ol; NSC-643045; NCI60_014589; 1,2,5-triphenyl-3,4-bis(p-tolyl)cyclopenta-2,4-dien-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643045	.	.	.	.	490.6	C37H30O	20.2	783	7.7	38	1	1	5	"InChI=1S/C37H30O/c1-26-18-22-28(23-19-26)33-34(29-24-20-27(2)21-25-29)36(31-14-8-4-9-15-31)37(38,32-16-10-5-11-17-32)35(33)30-12-6-3-7-13-30/h3-25,38H,1-2H3"	CC1=CC=C(C=C1)C2=C(C(C(=C2C3=CC=C(C=C3)C)C4=CC=CC=C4)(C5=CC=CC=C5)O)C6=CC=CC=C6	BZXAJSZVTFJPAE-UHFFFAOYSA-N
DG54108	"1,3,4-Tris(4-methylphenyl)-2,5-diphenyl-2,4-cyclopentadien-1-ol"	370268	"NSC643046; CHEMBL1998922; 1,3,4-Tris(4-methylphenyl)-2,5-diphenyl-2,4-cyclopentadien-1-ol; NSC-643046; NCI60_014590; 2,5-diphenyl-1,3,4-tris(p-tolyl)cyclopenta-2,4-dien-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643046	.	.	.	.	504.7	C38H32O	20.2	812	8	39	1	1	5	"InChI=1S/C38H32O/c1-26-14-20-29(21-15-26)34-35(30-22-16-27(2)17-23-30)37(32-12-8-5-9-13-32)38(39,33-24-18-28(3)19-25-33)36(34)31-10-6-4-7-11-31/h4-25,39H,1-3H3"	CC1=CC=C(C=C1)C2=C(C(C(=C2C3=CC=C(C=C3)C)C4=CC=CC=C4)(C5=CC=C(C=C5)C)O)C6=CC=CC=C6	HLNQRUXQXWKPBK-UHFFFAOYSA-N
DG54109	"2,3,4,5-Tetrakis(4-methylphenyl)-2,4-cyclopentadien-1-one"	370270	"NSC643048; 2,3,4,5-Tetrakis(4-methylphenyl)-2,4-cyclopentadien-1-one; SCHEMBL4936965; CHEMBL1968414; ZINC1628720; NSC-643048; NCI60_014592; 1,2,3,4-Tetra(p-tolyl)cyclopenta-1,3-dien-5-one; 2,3,4,5-Tetra-p-tolyl-2,4-cyclopentadiene-1-one; 2,3,4,5-tetrakis(p-tolyl)cyclopenta-2,4-dien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643048	.	.	.	.	440.6	C33H28O	17.1	716	7.9	34	0	1	4	"InChI=1S/C33H28O/c1-21-5-13-25(14-6-21)29-30(26-15-7-22(2)8-16-26)32(28-19-11-24(4)12-20-28)33(34)31(29)27-17-9-23(3)10-18-27/h5-20H,1-4H3"	CC1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=C(C=C3)C)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C	ZSUDSCKIBFDILN-UHFFFAOYSA-N
DG54110	"2-Chloro-5H-pyrido[2',1':2,3]imidazo[4,5-b]indole hydrochloride"	370272	"NSC643050; NSC643051; CHEMBL1986364; SCHEMBL11355730; ZINC5647499; NSC-643050; NCI60_014594; NCI60_014595; 2-Chloro-5H-pyrido[2',3]imidazo[4,5-b]indole; 2-Chloro-5H-pyrido[2',1':2,3]imidazo[4,5-b]indole hydrochloride; 3-Chloro-5H-pyrido[2',1':2,3]imidazo[4,5-b]indole hydrochloride; {2-Chloro-5H-pyrido[2',1':2,3]imidazo[4,5-b]indole} hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643051	.	.	.	.	241.67	C13H8ClN3	33.1	311	4.3	17	1	1	0	"InChI=1S/C13H8ClN3/c14-8-4-5-9-10(7-8)15-13-12(9)16-11-3-1-2-6-17(11)13/h1-7,15H"	C1=CC2=NC3=C(N2C=C1)NC4=C3C=CC(=C4)Cl	LBQQWJXSQDNNEA-UHFFFAOYSA-N
DG54111	"Methyl 5,11-dimethyl-1,5a,6,10b-tetrahydropyrido[4,3-b]carbazole-2-carboxylate"	370277	NSC643123; CHEMBL1969589; NSC-643123; NCI60_014601	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643123	.	.	.	.	308.4	C19H20N2O2	41.6	631	1.7	23	1	3	1	"InChI=1S/C19H20N2O2/c1-11-15-10-21(19(22)23-3)9-8-13(15)12(2)18-17(11)14-6-4-5-7-16(14)20-18/h4-9,17-18,20H,10H2,1-3H3"	CC1=C2CN(C=CC2=C(C3C1C4=CC=CC=C4N3)C)C(=O)OC	FWRYTVSLYZDBJX-UHFFFAOYSA-N
DG54112	"2,5,11-trimethyl-10-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol;iodide"	370279	NSC643125; CHEMBL59229; NSC-643125	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643125	.	.	.	.	502.3	C20H18F3IN2O2	49.1	546	.	28	2	6	2	"InChI=1S/C20H17F3N2O2.HI/c1-10-13-8-25(3)7-6-12(13)11(2)18-16(10)17-14(24-18)4-5-15(26)19(17)27-9-20(21,22)23;/h4-8,26H,9H2,1-3H3;1H"	CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C(=C(C=C4)O)OCC(F)(F)F)C)C.[I-]	CKQUZBRUDVTBEV-UHFFFAOYSA-N
DG54113	5-Nitrofurylmalonic acid diethyl ester	370288	5-Nitrofurylmalonic acid diethyl ester; NSC643139; CHEMBL1998452; NSC-643139; NCI60_014613; diethyl 2-(5-nitro-2-furyl)propanedioate; Diethyl 2-(5-(hydroxy(oxido)amino)-2-furyl)malonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643139	.	.	.	.	271.22	C11H13NO7	112	333	1.8	19	0	7	7	"InChI=1S/C11H13NO7/c1-3-17-10(13)9(11(14)18-4-2)7-5-6-8(19-7)12(15)16/h5-6,9H,3-4H2,1-2H3"	CCOC(=O)C(C1=CC=C(O1)[N+](=O)[O-])C(=O)OCC	WWWZGRQUXUBKDS-UHFFFAOYSA-N
DG54114	Ethyl (diethoxyphosphoryl)(3-thienyl)acetate	370303	NSC643158; Triethyl-(3-thiofuryl)-phosphono acetate; Ethyl (diethoxyphosphoryl)(3-thienyl)acetate; CHEMBL1965747; NSC-643158; NCI60_014627; ethyl 2-diethoxyphosphoryl-2-(3-thienyl)acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643158	.	.	.	.	306.32	C12H19O5PS	90.1	326	1.9	19	0	6	9	"InChI=1S/C12H19O5PS/c1-4-15-12(13)11(10-7-8-19-9-10)18(14,16-5-2)17-6-3/h7-9,11H,4-6H2,1-3H3"	CCOC(=O)C(C1=CSC=C1)P(=O)(OCC)OCC	YHJVOYLCNBGMIZ-UHFFFAOYSA-N
DG54115	N-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]-4-methyl-aniline	370335	"NSC643194; CHEMBL1990182; Phenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)diamidophosphate; NSC-643194; NCI60_014659; N-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]-4-methyl-aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643194	.	.	.	.	387.2	C17H21Cl2N2O2P	41.6	394	4.9	24	1	4	9	"InChI=1S/C17H21Cl2N2O2P/c1-15-7-9-16(10-8-15)20-24(22,21(13-11-18)14-12-19)23-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,20,22)"	CC1=CC=C(C=C1)NP(=O)(N(CCCl)CCCl)OC2=CC=CC=C2	CZZICUIIFOMZFN-UHFFFAOYSA-N
DG54116	Oxytakatonine Iodide	370338	Oxytakatonine Iodide; CHEMBL312446; NSC643238; NSC-643238	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643238	.	.	.	.	495.3	C21H22INO5	57.9	493	.	28	0	6	6	"InChI=1S/C21H22NO5.HI/c1-22-11-10-15-16(12-17(25-3)21(27-5)20(15)26-4)18(22)19(23)13-6-8-14(24-2)9-7-13;/h6-12H,1-5H3;1H/q+1;/p-1"	C[N+]1=C(C2=CC(=C(C(=C2C=C1)OC)OC)OC)C(=O)C3=CC=C(C=C3)OC.[I-]	BGYSCPUACSICRD-UHFFFAOYSA-M
DG54117	N-(1-(4-Methoxy-2-oxo-2H-pyran-6-yl)-2-phenylethyl)acetamide	370342	NSC643342; CHEMBL1983219; N-(1-(4-Methoxy-2-oxo-2H-pyran-6-yl)-2-phenylethyl)acetamide; NSC-643342; NCI60_014664; N-[1-(4-methoxy-6-oxo-pyran-2-yl)-2-phenyl-ethyl]acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643342	.	.	.	.	287.31	C16H17NO4	64.599	461	1.6	21	1	4	5	"InChI=1S/C16H17NO4/c1-11(18)17-14(8-12-6-4-3-5-7-12)15-9-13(20-2)10-16(19)21-15/h3-7,9-10,14H,8H2,1-2H3,(H,17,18)"	CC(=O)NC(CC1=CC=CC=C1)C2=CC(=CC(=O)O2)OC	VFMQMACUYWGDOJ-UHFFFAOYSA-N
DG54118	Halenaquinone	370346	"Halenaquinone; 86690-14-4; UNII-X57WT4EJ87; CHEMBL513747; X57WT4EJ87; NSC643407; helenaquinone; (S)-12b-Methyl-1H-tetrapheno[5,4-bc]furan-3,6,8,11(2H,12bH)-tetraone; SCHEMBL12464240; DTXSID50235769; BDBM50323927; NSC-643407; NCI60_014670; (1S)-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2(11),3,6,9,13(20),15-hexaene-5,8,12,17-tetrone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643407	.	.	.	.	332.3	C20H12O5	81.4	736	2.5	25	0	5	0	"InChI=1S/C20H12O5/c1-20-5-4-16(23)12-8-25-19(17(12)20)18(24)11-6-9-10(7-13(11)20)15(22)3-2-14(9)21/h2-3,6-8H,4-5H2,1H3/t20-/m0/s1"	C[C@@]12CCC(=O)C3=COC(=C31)C(=O)C4=C2C=C5C(=O)C=CC(=O)C5=C4	SMGBXXZKAPMTBB-FQEVSTJZSA-N
DG54119	"[3-(Ethoxymethyl)-2,6-dihydro-1,3,5-oxadiazin-4-yl]cyanamide"	370384	"NSC643476; 89049-28-5; [3-(ethoxymethyl)-2,6-dihydro-1,3,5-oxadiazin-4-yl]cyanamide; CHEMBL1996601; DTXSID30327297; 3-(Ethoxymethyl)-3,6-dihydro-2H-1,3,5-oxadiazin-4-ylcyanamide; ZINC5810828; NSC-643476; NCI60_014713"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643476	.	.	.	.	184.2	C7H12N4O2	69.9	232	-0.4	13	1	4	4	"InChI=1S/C7H12N4O2/c1-2-12-5-11-6-13-4-10-7(11)9-3-8/h2,4-6H2,1H3,(H,9,10)"	CCOCN1COCN=C1NC#N	OIJFDMIFPSAOCG-UHFFFAOYSA-N
DG54120	"1,1,3,3-Tetrabenzyl-2-cyanoguanidine"	370392	"NSC643486; 1,1,3,3-tetrabenzyl-2-cyanoguanidine; N,N,N',N'-Tetrabenzyl-N''-cyanoguanidine; CHEMBL1981876; SCHEMBL20263743; ZINC5810856; NSC-643486; 1,1,3,3-tetrabenzyl-2-cyano-guanidine; NCI60_014722"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643486	.	.	.	.	444.6	C30H28N4	42.6	554	6	34	0	2	10	"InChI=1S/C30H28N4/c31-25-32-30(33(21-26-13-5-1-6-14-26)22-27-15-7-2-8-16-27)34(23-28-17-9-3-10-18-28)24-29-19-11-4-12-20-29/h1-20H,21-24H2"	C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=NC#N)N(CC3=CC=CC=C3)CC4=CC=CC=C4	ISTIRUDUMPUSKM-UHFFFAOYSA-N
DG54121	"1,3-Diethyl-1-[[ethyl(ethylcarbamoyl)amino]methyl]urea"	370395	"NSC643491; SCHEMBL9475754; 1,3-diethyl-1-[[ethyl(ethylcarbamoyl)amino]methyl]urea; CHEMBL1971225; NSC-643491; NCI60_014725; Urea, N,N''-methylenebis[N,N'-diethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643491	.	.	.	.	244.33	C11H24N4O2	64.7	222	0.4	17	2	2	6	"InChI=1S/C11H24N4O2/c1-5-12-10(16)14(7-3)9-15(8-4)11(17)13-6-2/h5-9H2,1-4H3,(H,12,16)(H,13,17)"	CCNC(=O)N(CC)CN(CC)C(=O)NCC	WLQKEFJLAZHQDA-UHFFFAOYSA-N
DG54122	N-methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide	370399	"NSC643498; N,2-Dimethyl-2-(phenylsulfonyl)hydrazinesulfonamide; N-methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide; CHEMBL1965518; NSC-643498; NCI60_014729"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643498	.	.	.	.	279.3	C8H13N3O4S2	112	428	0.1	17	2	7	5	"InChI=1S/C8H13N3O4S2/c1-9-17(14,15)10-11(2)16(12,13)8-6-4-3-5-7-8/h3-7,9-10H,1-2H3"	CNS(=O)(=O)NN(C)S(=O)(=O)C1=CC=CC=C1	CWSXNSRRXCMBID-UHFFFAOYSA-N
DG54123	4-chloro-N-[3-[4-[(E)-(4-nitrophenyl)azo]-5-oxo-3-phenyl-4H-pyrazol-1-yl]-3-oxo-propanoyl]-N-(p-tolyl)benzamide	370459	"NSC643590; CHEMBL1966370; NSC-643590; NCI60_014782; 4-Chloro-N-(4-methylphenyl)-N-(3-{4-[(E)-(4-nitrophenyl)diazenyl]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl}-3-oxopropanoyl)benzamide; 4-chloro-N-[3-[4-[(E)-(4-nitrophenyl)azo]-5-oxo-3-phenyl-4H-pyrazol-1-yl]-3-oxo-propanoyl]-N-(p-tolyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643590	.	.	.	.	623	C32H23ClN6O6	158	1180	6.6	45	0	9	7	"InChI=1S/C32H23ClN6O6/c1-20-7-15-25(16-8-20)37(31(42)22-9-11-23(33)12-10-22)27(40)19-28(41)38-32(43)30(29(36-38)21-5-3-2-4-6-21)35-34-24-13-17-26(18-14-24)39(44)45/h2-18,30H,19H2,1H3"	CC1=CC=C(C=C1)N(C(=O)CC(=O)N2C(=O)C(C(=N2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=C(C=C5)Cl	LVROGXZBMYMMQI-UHFFFAOYSA-N
DG54124	"3-[4-[(E)-(4-chlorophenyl)azo]-3,5-diphenyl-pyrazol-1-yl]-3-oxo-N-(p-tolyl)propanamide"	370460	"NSC643591; CHEMBL1973070; ZINC5810895; ZINC104293060; NSC-643591; NCI60_014783; 3-[4-[(E)-(4-chlorophenyl)azo]-3,5-diphenyl-pyrazol-1-yl]-3-oxo-N-(p-tolyl)propanamide; 3-(4-((4-Chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643591	.	.	.	.	534	C31H24ClN5O2	88.7	827	7.8	39	1	5	7	"InChI=1S/C31H24ClN5O2/c1-21-12-16-25(17-13-21)33-27(38)20-28(39)37-31(23-10-6-3-7-11-23)30(29(36-37)22-8-4-2-5-9-22)35-34-26-18-14-24(32)15-19-26/h2-19H,20H2,1H3,(H,33,38)"	CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)Cl)C5=CC=CC=C5	OJMMMDVCYDKEKS-UHFFFAOYSA-N
DG54125	"3-(4-((2-Chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide"	370462	"NSC643593; CHEMBL1985997; NSC-643593; 3-(4-((2-Chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide; NCI60_014785; 3-[4-[(E)-(2-chlorophenyl)azo]-3,5-diphenyl-pyrazol-1-yl]-3-oxo-N-(p-tolyl)propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643593	.	.	.	.	534	C31H24ClN5O2	88.7	835	7.8	39	1	5	7	"InChI=1S/C31H24ClN5O2/c1-21-16-18-24(19-17-21)33-27(38)20-28(39)37-31(23-12-6-3-7-13-23)30(29(36-37)22-10-4-2-5-11-22)35-34-26-15-9-8-14-25(26)32/h2-19H,20H2,1H3,(H,33,38)"	CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=CC=C4Cl)C5=CC=CC=C5	ZDRKDISPYAFEAA-UHFFFAOYSA-N
DG54126	N-(4-Chlorophenyl)-6-((2-chlorophenyl)diazenyl)-2-oxo-2H-chromene-3-carboxamide	370465	NSC643596; CHEMBL1971939; ZINC18209362; ZINC104293076; NSC-643596; N-(4-Chlorophenyl)-6-((2-chlorophenyl)diazenyl)-2-oxo-2H-chromene-3-carboxamide; NCI60_014788; N-(4-chlorophenyl)-6-[(E)-(2-chlorophenyl)azo]-2-oxo-chromene-3-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643596	.	.	.	.	438.3	C22H13Cl2N3O3	80.1	706	6	30	1	5	4	"InChI=1S/C22H13Cl2N3O3/c23-14-5-7-15(8-6-14)25-21(28)17-12-13-11-16(9-10-20(13)30-22(17)29)26-27-19-4-2-1-3-18(19)24/h1-12H,(H,25,28)"	C1=CC=C(C(=C1)N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)NC4=CC=C(C=C4)Cl)Cl	ARPLBCSMWDQQSD-UHFFFAOYSA-N
DG54127	N-(2-Cyanoethyl)-N-(4-(((4-methoxyphenyl)imino)methyl)-3-methylphenyl)benzenesulfonamide	370469	NSC643599; CHEMBL1970655; ZINC17212510; ZINC104293104; CCG-102475; NSC-643599; N-(2-Cyanoethyl)-N-(4-(((4-methoxyphenyl)imino)methyl)-3-methylphenyl)benzenesulfonamide; NCI60_014791; N-(2-cyanoethyl)-N-[4-[(E)-(4-methoxyphenyl)iminomethyl]-3-methyl-phenyl]benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643599	.	.	.	.	433.5	C24H23N3O3S	91.1	725	4	31	0	6	8	"InChI=1S/C24H23N3O3S/c1-19-17-22(12-9-20(19)18-26-21-10-13-23(30-2)14-11-21)27(16-6-15-25)31(28,29)24-7-4-3-5-8-24/h3-5,7-14,17-18H,6,16H2,1-2H3"	CC1=C(C=CC(=C1)N(CCC#N)S(=O)(=O)C2=CC=CC=C2)C=NC3=CC=C(C=C3)OC	NDYFCBAEYCYIET-UHFFFAOYSA-N
DG54128	"1-Acetyl-3-(4-methoxyphenyl)-1H-[1,3,4]oxadiazino[5,6-b]quinoxaline"	370491	"NSC643713; 1-Acetyl-3-(4-methoxyphenyl)-1H-[1,3,4]oxadiazino[5,6-b]quinoxaline; CHEMBL2007316; 1-[3-(4-methoxyphenyl)-[1,3,4]oxadiazino[5,6-b]quinoxalin-1-yl]ethanone; NSC-643713; NCI60_014798; 4-(1-Acetyl-1H-[1,3,4]oxadiazino[5,6-b]quinoxalin-3-yl)phenyl methyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643713	.	.	.	.	334.3	C18H14N4O3	76.9	532	3.1	25	0	6	2	"InChI=1S/C18H14N4O3/c1-11(23)22-16-18(20-15-6-4-3-5-14(15)19-16)25-17(21-22)12-7-9-13(24-2)10-8-12/h3-10H,1-2H3"	CC(=O)N1C2=NC3=CC=CC=C3N=C2OC(=N1)C4=CC=C(C=C4)OC	JELHWFYIBBXPIV-UHFFFAOYSA-N
DG54129	"1-[(2R,6R)-6-Methylpiperidin-2-yl]nonan-3-ol"	370503	"NSC643724; 1-[(2R,6R)-6-Methylpiperidin-2-yl]nonan-3-ol; CHEMBL1975152; NSC-643724; NCI60_014799; 1-[(2R,6R)-6-methyl-2-piperidyl]nonan-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643724	.	.	.	.	241.41	C15H31NO	32.299	184	4.1	17	2	2	8	"InChI=1S/C15H31NO/c1-3-4-5-6-10-15(17)12-11-14-9-7-8-13(2)16-14/h13-17H,3-12H2,1-2H3/t13-,14-,15 /m1/s1"	CCCCCCC(CC[C@H]1CCC[C@H](N1)C)O	XMQISTWKAYJRTI-GRKKQISMSA-N
DG54130	Octyl 1-dodecyl-5-hydroxy-3-methyl-1H-pyrazole-4-carbodithioate	370530	NSC643757; CHEMBL3145317; Octyl 1-dodecyl-5-hydroxy-3-methyl-1H-pyrazole-4-carbodithioate; NSC-643757; NCI60_014814; octyl 1-dodecyl-5-hydroxy-3-methyl-pyrazole-4-carbodithioate; 1-Dodecyl-3-methyl-5-hydroxy-1H-pyrazole-4-dithiocarboxylic acid octyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643757	.	.	.	.	454.8	C25H46N2OS2	89.7	519	10.5	30	1	4	20	"InChI=1S/C25H46N2OS2/c1-4-6-8-10-12-13-14-15-16-18-20-27-24(28)23(22(3)26-27)25(29)30-21-19-17-11-9-7-5-2/h26H,4-21H2,1-3H3"	CCCCCCCCCCCCN1C(=O)C(=C(N1)C)C(=S)SCCCCCCCC	LRLGLEQMLRPVTP-UHFFFAOYSA-N
DG54131	"4-(1,3-Dithiolan-2-ylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one"	370534	"NSC643761; 4-(1,3-Dithiolan-2-ylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one; SCHEMBL420812; CHEMBL1977067; HMS1668C05; ZINC104725; CCG-245071; MCULE-2559331470; NSC-643761; NCI60_014818; AT-417/43484827; 4-(1,3-dithiolan-2-ylidene)-5-methyl-2-phenyl-pyrazol-3-one; 4-(1,3-Dithiolane-2-ylidene)-3-methyl-1-phenyl-2-pyrazoline-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643761	.	.	.	.	276.4	C13H12N2OS2	83.3	417	2.6	18	0	4	1	"InChI=1S/C13H12N2OS2/c1-9-11(13-17-7-8-18-13)12(16)15(14-9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3"	CC1=NN(C(=O)C1=C2SCCS2)C3=CC=CC=C3	UXLPBHIVTDXRPX-UHFFFAOYSA-N
DG54132	"1,1'-(Hexane-1,6-diyl)bis[3,3-dimethyl-1H-indole (3H)-one]"	370576	"NSC643829; CHEMBL1970281; AKOS005145425; NSC-643829; NCI60_014864; 1,1'-(Hexane-1,6-diyl)bis[3,3-dimethyl-1H-indole (3H)-one]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643829	.	.	.	.	404.5	C26H32N2O2	40.6	599	5	30	0	2	7	"InChI=1S/C26H32N2O2/c1-25(2)19-13-7-9-15-21(19)27(23(25)29)17-11-5-6-12-18-28-22-16-10-8-14-20(22)26(3,4)24(28)30/h7-10,13-16H,5-6,11-12,17-18H2,1-4H3"	CC1(C2=CC=CC=C2N(C1=O)CCCCCCN3C4=CC=CC=C4C(C3=O)(C)C)C	XIASOSYQSXUUBP-UHFFFAOYSA-N
DG54133	"Ethyl 4-methyl-2-oxo-6-phenyl-3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]-1,6-dihydropyrimidine-5-carboxylate"	370620	"NSC643913; CHEMBL1978673; ZINC05811057; NSC-643913; NCI60_014906; 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenyl-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-, ethyl ester; ethyl 4-methyl-2-oxo-6-phenyl-3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]-1,6-dihydropyrimidine-5-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643913	.	.	.	.	590.6	C28H34N2O12	173	1100	1.2	42	1	12	14	"InChI=1S/C28H34N2O12/c1-7-37-27(35)21-14(2)30(28(36)29-22(21)19-11-9-8-10-12-19)26-25(41-18(6)34)24(40-17(5)33)23(39-16(4)32)20(42-26)13-38-15(3)31/h8-12,20,22-26H,7,13H2,1-6H3,(H,29,36)"	CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C	AKMBOALNCLZYMQ-UHFFFAOYSA-N
DG54134	"2-tert-Butylnaphth[2,3-d]oxazole-4,9-dione"	370622	"NSC643915; NCIMech_000400; Neuro_000329; CHEMBL1994149; ZINC1628997; CCG-35992; NSC-643915; NCI60_014908; 2-tert-Butylnaphth[2,3-d]oxazole-4,9-dione; Naphtho[2,9-dione, 2-(1,1-dimethylethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643915	.	.	.	.	255.27	C15H13NO3	60.2	412	3.7	19	0	4	1	"InChI=1S/C15H13NO3/c1-15(2,3)14-16-10-11(17)8-6-4-5-7-9(8)12(18)13(10)19-14/h4-7H,1-3H3"	CC(C)(C)C1=NC2=C(O1)C(=O)C3=CC=CC=C3C2=O	XYJGAIQEWRRGAX-UHFFFAOYSA-N
DG54135	NSC644011	370649	"Decacyclo[18.6.6.64,11.02,19.03,12.05,10.013,18.021,26.027,32.033,38]octatriaconta-2,5,7,9,12,15,18,21,23,25,27,29,31,33,35,37-hexadecaene-14,17-dione; NSC644011; CHEMBL1971206; RCL S107441; ZINC4566031; AKOS024427059; NSC-644011; NCI60_014921; Decacyclo[18.6.6.6~4,11~.0~2,19~.0~3,12~.0~5,10~.0~13,18~.0~21,26~.0~27,32~.0~33,38~]octatriaconta-2,5,7,9,12,15,18,21,23,25,27,29,31,33,35,37-hexadecaene-14,17-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644011	.	.	.	.	510.6	C38H22O2	34.1	987	7.3	40	0	2	0	"InChI=1S/C38H22O2/c39-27-17-18-28(40)34-33(27)35-29-19-9-1-5-13-23(19)31(24-14-6-2-10-20(24)29)37(35)38-32-25-15-7-3-11-21(25)30(36(34)38)22-12-4-8-16-26(22)32/h1-18,29-32H"	C1=CC=C2C3C4=CC=CC=C4C(C2=C1)C5=C6C7C8=CC=CC=C8C(C6=C9C(=O)C=CC(=O)C9=C35)C1=CC=CC=C71	ABQNCCFKZBSJLW-UHFFFAOYSA-N
DG54136	1-[4-[[4-[4-(2-Hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]phenyl]sulfonylguanidine	370664	NSC644040; CHEMBL1987498; NSC-644040; NCI60_014933; 1-[4-[[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]phenyl]sulfonylguanidine; 9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-4-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)acridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644040	.	.	.	.	547.6	C27H29N7O4S	176	969	1.7	39	4	8	7	"InChI=1S/C27H29N7O4S/c28-27(29)32-39(37,38)19-10-8-18(9-11-19)30-24-20-4-1-2-7-23(20)31-25-21(24)5-3-6-22(25)26(36)34-14-12-33(13-15-34)16-17-35/h1-11,35H,12-17H2,(H,30,31)(H4,28,29,32)"	C1CN(CCN1CCO)C(=O)C2=CC=CC3=C(C4=CC=CC=C4N=C32)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N	AALVIHLXBXFNCU-UHFFFAOYSA-N
DG54137	N-(4-(Aminosulfonyl)phenyl)-4-acridinecarboxamide	370667	NSC644043; 165121-46-0; N-(4-(Aminosulfonyl)phenyl)-4-acridinecarboxamide; MLS002701546; n-(4-sulfamoylphenyl)acridine-4-carboxamide; NSC 644043; CHEMBL1712932; DTXSID80167847; NSC-644043; NCI60_014936; SMR001565147	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644043	.	.	.	.	377.4	C20H15N3O3S	111	639	2.9	27	2	5	3	"InChI=1S/C20H15N3O3S/c21-27(25,26)16-10-8-15(9-11-16)22-20(24)17-6-3-5-14-12-13-4-1-2-7-18(13)23-19(14)17/h1-12H,(H,22,24)(H2,21,25,26)"	C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N	HYUVOKSCGZDKAV-UHFFFAOYSA-N
DG54138	N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide	370668	NSC644044; CHEMBL1988632; N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide; NSC-644044; NCI60_014937; N-[4-(carbamimidoylsulfamoyl)phenyl]acridine-4-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644044	.	.	.	.	419.5	C21H17N5O3S	149	753	2.4	30	3	5	4	"InChI=1S/C21H17N5O3S/c22-21(23)26-30(28,29)16-10-8-15(9-11-16)24-20(27)17-6-3-5-14-12-13-4-1-2-7-18(13)25-19(14)17/h1-12H,(H,24,27)(H4,22,23,26)"	C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N	VWLNAVUASYRUIG-UHFFFAOYSA-N
DG54139	"4-Acridinecarboxamide, N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-"	370670	"NSC644046; CHEMBL1982988; 4-Acridinecarboxamide, N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-; NSC-644046; NCI60_014939; N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644046	.	.	.	.	458.5	C24H18N4O4S	123	795	4.1	33	2	7	5	"InChI=1S/C24H18N4O4S/c1-15-13-22(27-32-15)28-33(30,31)19-11-9-18(10-12-19)25-24(29)20-7-4-6-17-14-16-5-2-3-8-21(16)26-23(17)20/h2-14H,1H3,(H,25,29)(H,27,28)"	CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=CC5=CC=CC=C5N=C43	KKVKRNDSGZWACU-UHFFFAOYSA-N
DG54140	cyclo[N(Me)Ala-bAla-DL-OGly(allyl)-Pro-xiIle-N(Me)Val]	370709	Destruxin A; NSC644210; NSC-644210; NCI60_014978	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644210	.	.	.	.	577.7	C29H47N5O7	145	1020	2.3	41	2	7	5	"InChI=1S/C29H47N5O7/c1-9-12-21-27(38)34-16-11-13-20(34)26(37)31-23(18(5)10-2)28(39)33(8)24(17(3)4)29(40)32(7)19(6)25(36)30-15-14-22(35)41-21/h9,17-21,23-24H,1,10-16H2,2-8H3,(H,30,36)(H,31,37)/t18 ,19-,20-,21 ,23-,24-/m0/s1"	CCC(C)[C@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)OC(C(=O)N2CCC[C@H]2C(=O)N1)CC=C)C)C)C(C)C)C	XIYSEKITPHTMJT-WYTZBOCLSA-N
DG54141	Chlorodestruxin	370710	Chlorodestruxin; NSC644211; NSC-644211; NCI60_014979	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644211	.	.	.	.	630.2	C29H48ClN5O8	166	1040	1.5	43	3	8	6	"InChI=1S/C29H48ClN5O8/c1-8-17(4)23-28(41)34(7)24(16(2)3)29(42)33(6)18(5)25(38)31-12-11-22(37)43-21(14-19(36)15-30)27(40)35-13-9-10-20(35)26(39)32-23/h16-21,23-24,36H,8-15H2,1-7H3,(H,31,38)(H,32,39)/t17 ,18-,19 ,20-,21 ,23-,24-/m0/s1"	CCC(C)[C@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)OC(C(=O)N2CCC[C@H]2C(=O)N1)CC(CCl)O)C)C)C(C)C)C	WUTLOXOGFQPKLT-WKUMDAGRSA-N
DG54142	"1-Butoxy-4-chloro-3-methyl-1,2-dihydrophosphorin 1-oxide"	370738	"NSC644258; CHEMBL2005161; NSC-644258; NCI60_015003; 1-Butoxy-4-chloro-3-methyl-1,2-dihydrophosphorin 1-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644258	.	.	.	.	234.66	C10H16ClO2P	26.3	307	1.7	14	0	2	4	"InChI=1S/C10H16ClO2P/c1-3-4-6-13-14(12)7-5-10(11)9(2)8-14/h5,7H,3-4,6,8H2,1-2H3"	CCCCOP1(=O)CC(=C(C=C1)Cl)C	QSJKCCKVFDWHLZ-UHFFFAOYSA-N
DG54143	"4-(Dichloromethylidene)-1-ethoxy-3,5-dimethyl-1lambda5-phosphinine 1-oxide"	370739	NSC644259; CHEMBL1991978; NSC-644259; NCI60_015004	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644259	.	.	.	.	267.09	C10H13Cl2O2P	26.3	378	1.7	15	0	2	2	"InChI=1S/C10H13Cl2O2P/c1-4-14-15(13)5-7(2)9(10(11)12)8(3)6-15/h5-6H,4H2,1-3H3"	CCOP1(=O)C=C(C(=C(Cl)Cl)C(=C1)C)C	TWYXOGWUTKPECJ-UHFFFAOYSA-N
DG54144	"4-Isopropyl-2-(1-methoxy-2-naphthyl)-4,5-dihydro-1,3-oxazole"	370748	"NSC644271; CHEMBL1966008; 4-Isopropyl-2-(1-methoxy-2-naphthyl)-4,5-dihydro-1,3-oxazole; 2-(4-Isopropyl-4,5-dihydro-1,3-oxazol-2-yl)-1-naphthyl methyl ether; NSC-644271; NCI60_015008; 4-isopropyl-2-(1-methoxy-2-naphthyl)-4,5-dihydrooxazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644271	.	.	.	.	269.34	C17H19NO2	30.8	366	4	20	0	3	3	"InChI=1S/C17H19NO2/c1-11(2)15-10-20-17(18-15)14-9-8-12-6-4-5-7-13(12)16(14)19-3/h4-9,11,15H,10H2,1-3H3"	CC(C)C1COC(=N1)C2=C(C3=CC=CC=C3C=C2)OC	FILGJUXQDDKPMD-UHFFFAOYSA-N
DG54145	[Phenyl-[phenyl(trifluoromethylsulfonyloxy)-$l^{3}-iodanyl]oxy-$l^{3}-iodanyl] trifluoromethanesulfonate	370804	"NSC644326; CHEMBL1977075; NSC-644326; NCI60_015045; Oxybis[[[(trifluoromethyl)sulfonyl]oxy]phenyliodine(III)]; [phenyl-[phenyl(trifluoromethylsulfonyloxy)-$l^{3}-iodanyl]oxy-$l^{3}-iodanyl] trifluoromethanesulfonate; 1,1,1,9,9,9-Hexafluoro-4,6-diphenyl-4.lambda.~3~,6.lambda.~3~-diioda-3,5,7-trioxa-2,8-dithianonane 2,2,8,8-tetraoxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644326	.	.	.	.	722.2	C14H10F6I2O7S2	113	714	6.9	31	0	13	8	"InChI=1S/C14H10F6I2O7S2/c15-13(16,17)30(23,24)28-21(11-7-3-1-4-8-11)27-22(12-9-5-2-6-10-12)29-31(25,26)14(18,19)20/h1-10H"	C1=CC=C(C=C1)I(OS(=O)(=O)C(F)(F)F)OI(C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F	FAIBFONUPBMEFF-UHFFFAOYSA-N
DG54146	"N-((4,4-Bis(ethylthio)-2-(4-methoxybenzyl)-1-pyrrolidinyl)methylene)-N-(tert-butyl)amine"	370806	"NSC644328; CHEMBL1991308; NSC-644328; N-((4,4-Bis(ethylthio)-2-(4-methoxybenzyl)-1-pyrrolidinyl)methylene)-N-(tert-butyl)amine; NCI60_015046; 1-[4,4-bis(ethylsulfanyl)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-N-tert-butyl-methanimine; N-((4,4-Bis(ethylthio)-2-(4-methoxybenzyl)-1-pyrrolidinyl)methylene)-2-methyl-2-propanamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644328	.	.	.	.	394.6	C21H34N2OS2	75.4	436	4.9	26	0	4	9	"InChI=1S/C21H34N2OS2/c1-7-25-21(26-8-2)14-18(23(15-21)16-22-20(3,4)5)13-17-9-11-19(24-6)12-10-17/h9-12,16,18H,7-8,13-15H2,1-6H3"	CCSC1(CC(N(C1)C=NC(C)(C)C)CC2=CC=C(C=C2)OC)SCC	CYUAVZNVMAHTLK-UHFFFAOYSA-N
DG54147	"Diethyl 3,6-dimethyl-3,6-dihydrodipyrrolo[2,3-c:3,2-e]pyridazine-4,5-dicarboxylate"	370817	"NSC644340; CHEMBL1993135; NSC-644340; Diethyl 3,6-dimethyl-3,6-dihydrodipyrrolo[2,3-c:3,2-e]pyridazine-4,5-dicarboxylate; NCI60_015054; diethyl 3,6-dimethyldipyrrolo[[ ],[ ]]pyridazine-4,5-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644340	.	.	.	.	332.35	C16H20N4O4	68.9	459	3.4	24	0	4	4	"InChI=1S/C16H20N4O4/c1-5-23-15(21)19-13-11(7-9-17(13)3)12-8-10-18(4)14(12)20(19)16(22)24-6-2/h7-10H,5-6H2,1-4H3"	CCOC(=O)N1C2=C(C=CN2C)C3=C(N1C(=O)OCC)N(C=C3)C	FFEZMACMDOBFMU-UHFFFAOYSA-N
DG54148	"4-(1,5,5a,6,9,9a-Hexahydro-2,4-benzodioxepin-3-yl)benzonitrile"	370857	"NSC644579; 4-(1,5,5a,6,9,9a-Hexahydro-2,4-benzodioxepin-3-yl)benzonitrile; CHEMBL1988373; NSC-644579; NCI60_015079"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644579	.	.	.	.	255.31	C16H17NO2	42.2	358	2.7	19	0	3	1	"InChI=1S/C16H17NO2/c17-9-12-5-7-13(8-6-12)16-18-10-14-3-1-2-4-15(14)11-19-16/h1-2,5-8,14-16H,3-4,10-11H2"	C1C=CCC2C1COC(OC2)C3=CC=C(C=C3)C#N	CMALIMURPNBRHI-UHFFFAOYSA-N
DG54149	"4-[[2,4-Dichloro-6-[(4-nitrobenzoyl)oxy]phenyl]imino]-2,6-dimethoxy-2,5-cyclohexadien-1-one"	370888	"NSC644622; CHEMBL1981598; NSC-644622; NCI60_015109; [3,5-dichloro-2-[(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino]phenyl] 4-nitrobenzoate; 3,5-Dichloro-2-((3,5-dimethoxy-4-oxo-2,5-cyclohexadien-1-ylidene)amino)phenyl 4-(hydroxy(oxido)amino)benzoate; 4-[[2,4-Dichloro-6-[(4-nitrobenzoyl)oxy]phenyl]imino]-2,6-dimethoxy-2,5-cyclohexadien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644622	.	.	.	.	477.2	C21H14Cl2N2O7	120	818	4.7	32	0	8	6	"InChI=1S/C21H14Cl2N2O7/c1-30-17-9-13(10-18(31-2)20(17)26)24-19-15(23)7-12(22)8-16(19)32-21(27)11-3-5-14(6-4-11)25(28)29/h3-10H,1-2H3"	COC1=CC(=NC2=C(C=C(C=C2Cl)Cl)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=C(C1=O)OC	RFKIVMQNVBCMJM-UHFFFAOYSA-N
DG54150	"4-Bromo-N-(2-phenyl-4H-pyrazolo[5,1-f]pyrido[1,2-b][1,2,4]triazin-4-ylidene)aniline"	370906	"NSC644644; CHEMBL1997593; NSC-644644; 4-Bromo-N-(2-phenyl-4H-pyrazolo[5,1-f]pyrido[1,2-b][1,2,4]triazin-4-ylidene)aniline; NCI60_015127; N-(4-bromophenyl)-2-phenyl-pyrazolo[[ ]]pyrido[[ ]][1,2,4]triazin-4-imine; N-(4-Bromophenyl)-N-(2-phenyl-4H-pyrazolo[5,1-f]pyrido[1,2-b][1,2,4]triazin-4-ylidene)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644644	.	.	.	.	416.3	C21H14BrN5	45.8	670	4.8	27	0	2	2	InChI=1S/C21H14BrN5/c22-16-9-11-17(12-10-16)23-21-19-14-18(15-6-2-1-3-7-15)25-27(19)26-13-5-4-8-20(26)24-21/h1-14H	C1=CC=C(C=C1)C2=NN3C(=C2)C(=NC4=CC=C(C=C4)Br)N=C5N3C=CC=C5	NGNODFWOFCYIGT-UHFFFAOYSA-N
DG54151	"[(1R,2S)-2-[(5S)-5-methoxy-2-oxo-1-prop-2-enylcyclohexyl]-1-(3,4,5-trimethoxyphenyl)propyl] acetate"	370911	NSC644649; NSC-644649; NCI60_015129	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644649	.	.	.	.	434.5	C24H34O7	80.3	607	3.4	31	0	7	11	"InChI=1S/C24H34O7/c1-8-11-24(14-18(27-4)9-10-21(24)26)15(2)22(31-16(3)25)17-12-19(28-5)23(30-7)20(13-17)29-6/h8,12-13,15,18,22H,1,9-11,14H2,2-7H3/t15-,18+,22-,24 /m1/s1"	C[C@H]([C@H](C1=CC(=C(C(=C1)OC)OC)OC)OC(=O)C)C2(C[C@H](CCC2=O)OC)CC=C	CNQSJNINBFUEMD-YTMXOLSWSA-N
DG54152	"Dispiro[1,3-dioxolane-2,1'-cyclohexa[2,5]diene-4',5''-[5H]indeno[5,6-d][1,3]dioxol]-7''(6''H)-one, 6''-(methoxymethyl)-"	370913	"NSC644651; methoxymethyldispiro[[ ]]one; CHEMBL1992250; NSC-644651; Dispiro[1,3-dioxolane-2,1'-cyclohexa[2,5]diene-4',5''-[5H]indeno[5,6-d][1,3]dioxol]-7''(6''H)-one, 6''-(methoxymethyl)-; NCI60_015131; 2-(Methoxymethyl)-5,6-(methylenedioxy)dispiro[1H-indene-3(2H),1'-[2,5]cyclohexadiene-4',2''-[1,3]dioxolan]-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644651	.	.	.	.	342.3	C19H18O6	63.2	603	1.8	25	0	6	2	"InChI=1S/C19H18O6/c1-21-10-14-17(20)12-8-15-16(23-11-22-15)9-13(12)18(14)2-4-19(5-3-18)24-6-7-25-19/h2-5,8-9,14H,6-7,10-11H2,1H3"	COCC1C(=O)C2=CC3=C(C=C2C14C=CC5(C=C4)OCCO5)OCO3	XTEOWTNFWUTXPW-UHFFFAOYSA-N
DG54153	3-(1H-Benzimidazol-2-yl)cyclohepta[b]pyrrol-2-ol	370919	NSC644720; SCHEMBL3728541; CHEMBL1997938; NSC-644720; NCI60_015135; 3-(benzimidazol-2-yl)-1-azaazulen-2-one; 3-(1H-Benzimidazol-2-yl)cyclohepta[b]pyrrol-2-ol; 3-(1H-Benzoimidazole-2-yl)-1-azaazulene-2(1H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644720	.	.	.	.	261.279	C16H11N3O	57.8	570	2.3	20	2	2	1	"InChI=1S/C16H11N3O/c20-16-14(10-6-2-1-3-7-11(10)19-16)15-17-12-8-4-5-9-13(12)18-15/h1-9H,(H,17,18)(H,19,20)"	C1=CC=C2C(=C(C(=O)N2)C3=NC4=CC=CC=C4N3)C=C1	MYQDQLNZLSSLJX-UHFFFAOYSA-N
DG54154	"4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)-N-(2,4,5-trichlorophenyl)butanamide"	370942	"NSC644747; CHEMBL1964956; NSC-644747; NCI60_015158; 4-(3,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-(2,4,5-trichlorophenyl)butanamide; 4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)-N-(2,4,5-trichlorophenyl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644747	.	.	.	.	571.6	C24H12Cl5NO5	89.5	858	6.8	35	1	5	6	"InChI=1S/C24H12Cl5NO5/c25-13-6-5-10(7-14(13)26)20(31)19(22-11-3-1-2-4-12(11)24(34)35-22)21(32)23(33)30-18-9-16(28)15(27)8-17(18)29/h1-9,19,22H,(H,30,33)"	C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C(=O)NC4=CC(=C(C=C4Cl)Cl)Cl	JYMQPWGVQUZVFK-UHFFFAOYSA-N
DG54155	"4-(2-((3,4-Dioxo-3,4-dihydro-1-naphthalenyl)amino)phenyl)-2,4-dioxo-N-(3-(trifluoromethyl)phenyl)butanamide"	370946	"NSC644751; 908827-56-5; 4-(2-((3,4-Dioxo-3,4-dihydro-1-naphthalenyl)amino)phenyl)-2,4-dioxo-N-(3-(trifluoromethyl)phenyl)butanamide; CHEMBL1970192; DTXSID80920095; NSC-644751; NCI60_015162; 4-[2-[(3,4-dioxo-1-naphthyl)amino]phenyl]-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]butanamide; 4-{2-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644751	.	.	.	.	506.4	C27H17F3N2O5	109	976	4.8	37	2	9	7	"InChI=1S/C27H17F3N2O5/c28-27(29,30)15-6-5-7-16(12-15)31-26(37)24(35)14-22(33)19-10-3-4-11-20(19)32-21-13-23(34)25(36)18-9-2-1-8-17(18)21/h1-13,32H,14H2,(H,31,37)"	C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)NC4=CC=CC(=C4)C(F)(F)F	FMUSAQBCSGFOKE-UHFFFAOYSA-N
DG54156	"4-(3,4-dichlorophenyl)-N-(2,4-dinitrophenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	370956	"NSC644761; CHEMBL1996783; NSC-644761; NCI60_015172; 4-(3,4-dichlorophenyl)-N-(2,4-dinitrophenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide; N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644761	.	.	.	.	558.3	C24H13Cl2N3O9	181	1000	5.1	38	1	9	6	"InChI=1S/C24H13Cl2N3O9/c25-15-7-5-11(9-16(15)26)20(30)19(22-13-3-1-2-4-14(13)24(33)38-22)21(31)23(32)27-17-8-6-12(28(34)35)10-18(17)29(36)37/h1-10,19,22H,(H,27,32)"	C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]	BQNHFQJQQIQKMY-UHFFFAOYSA-N
DG54157	"N-(4-Bromo-2,6-dimethylphenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	370967	"NSC644772; N-(4-Bromo-2,6-dimethylphenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide; CHEMBL1995388; AKOS024426440; MCULE-9373578789; NSC-644772; NCI60_015183; N-(4-bromo-2,6-dimethyl-phenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644772	.	.	.	.	575.2	C26H18BrCl2NO5	89.5	844	6.4	35	1	5	6	"InChI=1S/C26H18BrCl2NO5/c1-12-9-15(27)10-13(2)21(12)30-25(33)23(32)20(22(31)14-7-8-18(28)19(29)11-14)24-16-5-3-4-6-17(16)26(34)35-24/h3-11,20,24H,1-2H3,(H,30,33)"	CC1=CC(=CC(=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC(=C(C=C4)Cl)Cl)C)Br	RFGSNUYKKRTFBK-UHFFFAOYSA-N
DG54158	"Methyl 4-amino-2-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl)-3,4-dioxobutanoate"	370968	"NSC644773; CHEMBL1998731; NSC-644773; Methyl 4-amino-2-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl)-3,4-dioxobutanoate; NCI60_015184; methyl 4-amino-2-[2-(3,5-diphenylpyrazol-1-yl)thiazol-4-yl]-3,4-dioxo-butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644773	.	.	.	.	446.5	C23H18N4O4S	145	696	3.4	32	1	7	8	"InChI=1S/C23H18N4O4S/c1-31-22(30)19(20(28)21(24)29)17-13-32-23(25-17)27-18(15-10-6-3-7-11-15)12-16(26-27)14-8-4-2-5-9-14/h2-13,19H,1H3,(H2,24,29)"	COC(=O)C(C1=CSC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(=O)N	VIAAEKKFZBLEJO-UHFFFAOYSA-N
DG54159	"N-(4-acetylphenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	370984	"NSC644790; CHEMBL1969508; NSC-644790; NCI60_015201; N-(4-Acetylphenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide; N-(4-acetylphenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644790	.	.	.	.	510.3	C26H17Cl2NO6	107	870	4.6	35	1	6	7	"InChI=1S/C26H17Cl2NO6/c1-13(30)14-6-9-16(10-7-14)29-25(33)23(32)21(22(31)15-8-11-19(27)20(28)12-15)24-17-4-2-3-5-18(17)26(34)35-24/h2-12,21,24H,1H3,(H,29,33)"	CC(=O)C1=CC=C(C=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC(=C(C=C4)Cl)Cl	FHVIPLRTYBLADV-UHFFFAOYSA-N
DG54160	"acetic acid;[(2S,8R,10S)-6-(hydroxymethyl)-2,6,13-trimethyl-12-oxo-8-tetracyclo[11.2.1.01,10.02,7]hexadecanyl] benzoate"	370991	NSC644811; NSC-644811	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644811	.	.	.	.	484.6	C29H40O6	101	787	.	35	2	6	4	"InChI=1S/C27H36O4.C2H4O2/c1-24-12-13-27(16-24)19(15-21(24)29)14-20(31-23(30)18-8-5-4-6-9-18)22-25(2,17-28)10-7-11-26(22,27)3;1-2(3)4/h4-6,8-9,19-20,22,28H,7,10-17H2,1-3H3;1H3,(H,3,4)/t19-,20+,22 ,24 ,25 ,26-,27 ;/m0./s1"	CC(=O)O.C[C@]12CCCC(C1[C@@H](C[C@@H]3C24CCC(C4)(C(=O)C3)C)OC(=O)C5=CC=CC=C5)(C)CO	JKOLCDARTKMGJD-REXIZEJYSA-N
DG54161	"2-(5-(1-(2-Hydroxyethyl)-1,2,3,7,8,8a-hexahydroimidazo[1,2-a]pyridin-6-yl)hexahydroimidazo[1,2-a]pyridin-1(5H)-yl)ethanol"	370999	"NSC644860; 2-(5-(1-(2-Hydroxyethyl)-1,2,3,7,8,8a-hexahydroimidazo[1,2-a]pyridin-6-yl)hexahydroimidazo[1,2-a]pyridin-1(5H)-yl)ethanol; CHEMBL1974491; NSC-644860; 2-[5-[1-(2-hydroxyethyl)-3,7,8,8a-tetrahydro-2H-imidazo[1,2-a]pyridin-6-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridin-1-yl]ethanol; NCI60_015213; 2,2',3,3',5,6,7,7',8,8'-Decahydro-5,6'-bi[imidazo[1,2-a]pyridine]-1,1'(8aH,8'aH)-diethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644860	.	.	.	.	336.5	C18H32N4O2	53.4	472	0.2	24	2	6	5	"InChI=1S/C18H32N4O2/c23-12-10-19-6-7-21-14-15(4-5-17(19)21)16-2-1-3-18-20(11-13-24)8-9-22(16)18/h14,16-18,23-24H,1-13H2"	C1CC(N2CCN(C2C1)CCO)C3=CN4CCN(C4CC3)CCO	OFZQXONCTBCYNS-UHFFFAOYSA-N
DG54162	Isopropyl 2-(bis(acetyloxy)methyl)nicotinate	371001	NSC644864; Isopropyl 2-(bis(acetyloxy)methyl)nicotinate; CHEMBL1976366; NSC-644864; NCI60_015215; isopropyl 2-(diacetoxymethyl)pyridine-3-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644864	.	.	.	.	295.29	C14H17NO6	91.8	379	1.2	21	0	7	8	"InChI=1S/C14H17NO6/c1-8(2)19-13(18)11-6-5-7-15-12(11)14(20-9(3)16)21-10(4)17/h5-8,14H,1-4H3"	CC(C)OC(=O)C1=C(N=CC=C1)C(OC(=O)C)OC(=O)C	WBTGIYQCEFYYNY-UHFFFAOYSA-N
DG54163	"2-Chloro-3-hydroxybenzo[b]naphtho[2,3-d]furan-6,11-dione"	371025	"NSC644902; 2-chloro-3-hydroxybenzo[b]naphtho[2,3-d]furan-6,11-dione; CHEMBL132737; ZINC1629392; NSC-644902; NCI60_015235; Benzo[b]naphtho[2,11-dione, 4-chloro-3-hydroxy; 2-chloro-3-hydroxy-naphtho[3,2-b]benzofuran-6,11-dione; 2-Chloro-3-hydroxynaphtho[2,3-b][1]benzofuran-6,11-dione; {Benzo[b]naphtho[2,3-d]furna-6,11-diome,} 4-chloro-3-hydroxy"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644902	.	.	.	.	298.67	C16H7ClO4	67.5	479	3.9	21	1	4	0	"InChI=1S/C16H7ClO4/c17-10-5-9-12(6-11(10)18)21-16-13(9)14(19)7-3-1-2-4-8(7)15(16)20/h1-6,18H"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC4=CC(=C(C=C43)Cl)O	MELMDXKYKAAXAZ-UHFFFAOYSA-N
DG54164	NSC644945	371049	"(5R,5aS)-5-[2-(dimethylamino)ethoxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;hydrochloride; NSC644945; NSC-644945; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6-one, 5,5a,6,8,8a,9-hexahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)- 9-[2-(dimethylamino)ethoxy]-, stereoisomer, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644945	.	.	.	.	508	C25H30ClNO8	95.9	707	.	35	2	9	7	"InChI=1S/C25H29NO8.ClH/c1-26(2)5-6-31-24-15-10-18-17(33-12-34-18)9-14(15)21(22-16(24)11-32-25(22)28)13-7-19(29-3)23(27)20(8-13)30-4;/h7-10,16,21-22,24,27H,5-6,11-12H2,1-4H3;1H/t16-,21 ,22 ,24+;/m1./s1"	CN(C)CCO[C@@H]1[C@@H]2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC.Cl	STEJYCHVFIJIBV-WWGZZMNBSA-N
DG54165	NSC644946	371051	"(5S,5aR)-5-(2-aminoethoxy)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;hydrochloride; NSC644946; NSC-644946; 120004-97-9; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-(2-aminoethoxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy- 3,5-dimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.beta.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644946	.	.	.	.	479.9	C23H26ClNO8	119	664	.	33	3	9	6	"InChI=1S/C23H25NO8.ClH/c1-27-17-5-11(6-18(28-2)21(17)25)19-12-7-15-16(32-10-31-15)8-13(12)22(29-4-3-24)14-9-30-23(26)20(14)19;/h5-8,14,19-20,22,25H,3-4,9-10,24H2,1-2H3;1H/t14-,19 ,20 ,22+;/m0./s1"	COC1=CC(=CC(=C1O)OC)C2C3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)OCCN.Cl	IYAJFFYSIFVYDY-BTGNAHPESA-N
DG54166	NSC644947	371053	"(5S,5aS)-5-[4-(dimethylamino)anilino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;hydrochloride; NSC644947; NSC-644947"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644947	.	.	.	.	555	C29H31ClN2O7	98.7	822	.	39	3	9	6	"InChI=1S/C29H30N2O7.ClH/c1-31(2)17-7-5-16(6-8-17)30-27-19-12-22-21(37-14-38-22)11-18(19)25(26-20(27)13-36-29(26)33)15-9-23(34-3)28(32)24(10-15)35-4;/h5-12,20,25-27,30,32H,13-14H2,1-4H3;1H/t20-,25 ,26 ,27+;/m0./s1"	CN(C)C1=CC=C(C=C1)N[C@H]2[C@H]3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC.Cl	ROCVDBYEOWFWTN-IEYOGHBKSA-N
DG54167	7-Chloro-2-phenylquinolin-4-ol	371056	7-chloro-2-phenylquinolin-4-ol; 110802-16-9; 7-Chloro-4-hydroxy-2-phenylquinoline; 7-Chloro-2-phenyl-4-quinolinol; KUC100227; 7-Chloro-2-phenyl-1H-quinolin-4-one; MLS000517836; Oprea1_459256; CHEMBL15968; SCHEMBL1758867; SCHEMBL9390802; DTXSID20327307; HMS2219E23; HMS3356G22; KUC100227N; ZINC5647149; MFCD02929095; NSC644949; 7-Chloro-2-phenylquinolin-4(1H)-one; NSC-644949; NCGC00159727-01; NCI60_015273; SMR000129054	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644949	.	.	.	.	255.7	C15H10ClNO	29.1	360	3.8	18	1	2	1	"InChI=1S/C15H10ClNO/c16-11-6-7-12-14(8-11)17-13(9-15(12)18)10-4-2-1-3-5-10/h1-9H,(H,17,18)"	C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=C(C=C3)Cl	XQOKFGZSHRSHMK-UHFFFAOYSA-N
DG54168	2-acetamido-N-benzyl-5-[[2-chloroethyl(nitroso)carbamoyl]amino]pentanamide	371060	"NSC644959; MCS-687; CHEMBL1998771; DTXSID00874960; 2-acetamido-N-benzyl-5-[[2-chloroethyl(nitroso)carbamoyl]amino]pentanamide; NSC-644959; 2-(Acetylamino)-N-benzyl-5-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)pentanamide; NCI60_015277; N1-CHLOROETHYLNITROSOUREA,DIAMINO ACID ANALOG #2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644959	.	.	.	.	397.9	C17H24ClN5O4	120	500	1.3	27	3	5	10	"InChI=1S/C17H24ClN5O4/c1-13(24)21-15(16(25)20-12-14-6-3-2-4-7-14)8-5-10-19-17(26)23(22-27)11-9-18/h2-4,6-7,15H,5,8-12H2,1H3,(H,19,26)(H,20,25)(H,21,24)"	CC(=O)NC(CCCNC(=O)N(CCCl)N=O)C(=O)NCC1=CC=CC=C1	NYLLPNYPEUPHGG-UHFFFAOYSA-N
DG54169	2-(Acetylamino)-N-benzyl-5-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)(propyl)amino)pentanamide	371061	NSC644960; MCS-688; Neuro_000334; CHEMBL1997582; NSC-644960; 2-(Acetylamino)-N-benzyl-5-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)(propyl)amino)pentanamide; NCI60_015278; 2-acetamido-N-benzyl-5-[[2-chloroethyl(nitroso)carbamoyl]-propyl-amino]pentanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644960	.	.	.	.	439.9	C20H30ClN5O4	111	557	1.8	30	2	5	12	"InChI=1S/C20H30ClN5O4/c1-3-12-25(20(29)26(24-30)14-11-21)13-7-10-18(23-16(2)27)19(28)22-15-17-8-5-4-6-9-17/h4-6,8-9,18H,3,7,10-15H2,1-2H3,(H,22,28)(H,23,27)"	CCCN(CCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)N(CCCl)N=O	MFPSFAAJUFMIGH-UHFFFAOYSA-N
DG54170	2-acetamido-N-benzyl-5-[benzyl-[2-chloroethyl(nitroso)carbamoyl]amino]pentanamide	371062	NSC644961; MCS-689; CHEMBL1978085; NSC-644961; 2-acetamido-N-benzyl-5-[benzyl-[2-chloroethyl(nitroso)carbamoyl]amino]pentanamide; 2-(Acetylamino)-N-benzyl-5-(benzyl((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)pentanamide; NCI60_015279	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644961	.	.	.	.	488	C24H30ClN5O4	111	653	2.4	34	2	5	12	"InChI=1S/C24H30ClN5O4/c1-19(31)27-22(23(32)26-17-20-9-4-2-5-10-20)13-8-15-29(18-21-11-6-3-7-12-21)24(33)30(28-34)16-14-25/h2-7,9-12,22H,8,13-18H2,1H3,(H,26,32)(H,27,31)"	CC(=O)NC(CCCN(CC1=CC=CC=C1)C(=O)N(CCCl)N=O)C(=O)NCC2=CC=CC=C2	NLPSZLLIPMXARH-UHFFFAOYSA-N
DG54171	2-(Acetylamino)-N-benzyl-6-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)(propyl)amino)hexanamide	371067	NSC644966; MCS-694; CHEMBL1965119; NSC-644966; 2-(Acetylamino)-N-benzyl-6-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)(propyl)amino)hexanamide; NCI60_015284; 2-acetamido-N-benzyl-6-[[2-chloroethyl(nitroso)carbamoyl]-propyl-amino]hexanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644966	.	.	.	.	454	C21H32ClN5O4	111	572	2.2	31	2	5	13	"InChI=1S/C21H32ClN5O4/c1-3-13-26(21(30)27(25-31)15-12-22)14-8-7-11-19(24-17(2)28)20(29)23-16-18-9-5-4-6-10-18/h4-6,9-10,19H,3,7-8,11-16H2,1-2H3,(H,23,29)(H,24,28)"	CCCN(CCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)N(CCCl)N=O	ASCDYYZLLAECJM-UHFFFAOYSA-N
DG54172	2-acetamido-N-benzyl-6-[benzyl-[2-chloroethyl(nitroso)carbamoyl]amino]hexanamide	371068	NSC644967; CHEMBL1996127; NSC-644967; 2-acetamido-N-benzyl-6-[benzyl-[2-chloroethyl(nitroso)carbamoyl]amino]hexanamide; 2-(Acetylamino)-N-benzyl-6-(benzyl((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)hexanamide; NCI60_015285	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644967	.	.	.	.	502	C25H32ClN5O4	111	668	2.8	35	2	5	13	"InChI=1S/C25H32ClN5O4/c1-20(32)28-23(24(33)27-18-21-10-4-2-5-11-21)14-8-9-16-30(19-22-12-6-3-7-13-22)25(34)31(29-35)17-15-26/h2-7,10-13,23H,8-9,14-19H2,1H3,(H,27,33)(H,28,32)"	CC(=O)NC(CCCCN(CC1=CC=CC=C1)C(=O)N(CCCl)N=O)C(=O)NCC2=CC=CC=C2	QPCSANVWFZHCCL-UHFFFAOYSA-N
DG54173	"7H-Benzo[e]pyrido[4, 11-[3-(dimethylamino)propylamino]-3-hydroxy-8-methyl-, dimethanesulfonate"	371069	"NSC645008; CHEMBL1972308; NSC-645008; 7H-Benzo[e]pyrido[4, 11-[3-(dimethylamino)propylamino]-3-hydroxy-8-methyl-, dimethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645008	.	.	.	.	444.5	C22H28N4O4S	127	566	.	31	4	7	5	"InChI=1S/C21H24N4O.CH4O3S/c1-13-12-23-21(22-9-4-10-25(2)3)19-18-16-7-6-15(26)11-14(16)5-8-17(18)24-20(13)19;1-5(2,3)4/h5-8,11-12,24,26H,4,9-10H2,1-3H3,(H,22,23);1H3,(H,2,3,4)"	CC1=CN=C(C2=C1NC3=C2C4=C(C=C3)C=C(C=C4)O)NCCCN(C)C.CS(=O)(=O)O	POUVZUSSHJDTLE-UHFFFAOYSA-N
DG54174	"2-(5-(4-Chlorophenyl)-3-mesityl-4-isoxazolyl)-1,4,5,6-tetrahydropyrimidine"	371105	"NSC645052; CHEMBL1988408; NSC-645052; NCI60_015322; 2-(5-(4-Chlorophenyl)-3-mesityl-4-isoxazolyl)-1,4,5,6-tetrahydropyrimidine; 3-(2,4,6-Trimethylphenyl)-4-(2-tetrahydropyrimidinyl)-5- (4-chlorophenyl)-isooxazole; 3-(2,6-Trimethylphenyl)-4-(2-tetrahydropyrimidinyl)-5- (4-chlorophenyl)-isooxazole; 5-(4-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-(2,4,6-trimethylphenyl)isoxazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645052	.	.	.	.	379.9	C22H22ClN3O	50.4	522	4.7	27	1	3	3	"InChI=1S/C22H22ClN3O/c1-13-11-14(2)18(15(3)12-13)20-19(22-24-9-4-10-25-22)21(27-26-20)16-5-7-17(23)8-6-16/h5-8,11-12H,4,9-10H2,1-3H3,(H,24,25)"	CC1=CC(=C(C(=C1)C)C2=NOC(=C2C3=NCCCN3)C4=CC=C(C=C4)Cl)C	WCKQWRNVXAPROL-UHFFFAOYSA-N
DG54175	"Thiopyrano(3,2-c)pyrazol-3(2H)-one, 1,5,6,7-tetrahydro-1-(methylcarbonyl)-2-phenyl-, 4-oxide"	371127	"124187-81-1; NSC645087; Thiopyrano(3,2-c)pyrazol-3(2H)-one, 1,5,6,7-tetrahydro-1-(methylcarbonyl)-2-phenyl-, 4-oxide; Thiopyrano[3,2-c]pyrazol-3(2H)-one, 1,5,6,7-tetrahydro-1-(methylcarbonyl)-2-phenyl-, 4-oxide; NSC 645087; CHEMBL1988255; 1-acetyl-4-oxo-2-phenyl-6,7-dihydro-5H-thiopyrano[3,2-c]pyrazol-3-one; NSC-645087; NCI60_015339; Thiopyrano[3, 1,5,6,7-tetrahydro-1- (methylcarbonyl)-2-phenyl-, 4-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645087	.	.	.	.	290.34	C14H14N2O3S	76.9	509	0.5	20	0	4	1	"InChI=1S/C14H14N2O3S/c1-10(17)15-12-8-5-9-20(19)13(12)14(18)16(15)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3"	CC(=O)N1C2=C(C(=O)N1C3=CC=CC=C3)S(=O)CCC2	WYIJYQGXZWLTPH-UHFFFAOYSA-N
DG54176	4-(9-Acridinylthio)aniline	371141	"NSC645145; 4-(9-Acridinylthio)aniline; 4-acridin-9-ylsulfanylaniline; 4-(9-Acridinylthio)phenylamine; CHEMBL1964647; 9-[(4-Aminophenyl)thio]acridine; ZINC5594129; NSC-645145; Benzeneamine, 4-[(9-acridinyl)thio]-; NCI60_015351"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645145	.	.	.	.	302.4	C19H14N2S	64.2	344	4.9	22	1	3	2	"InChI=1S/C19H14N2S/c20-13-9-11-14(12-10-13)22-19-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)19/h1-12H,20H2"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SC4=CC=C(C=C4)N	JYBPGFSVVDVWIC-UHFFFAOYSA-N
DG54177	6-Chloro-2-methoxy-9-(2-methyl-4-nitro-phenyl)sulfanyl-acridine	371146	NSC645150; CHEMBL1999711; ZINC5552670; NSC-645150; NCI60_015356; 6-chloro-2-methoxy-9-(2-methyl-4-nitro-phenyl)sulfanyl-acridine; 6-Chloro-9-((4-(hydroxy(oxido)amino)-2-methylphenyl)thio)-2-methoxyacridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645150	.	.	.	.	410.9	C21H15ClN2O3S	93.2	562	6.4	28	0	5	3	"InChI=1S/C21H15ClN2O3S/c1-12-9-14(24(25)26)4-8-20(12)28-21-16-6-3-13(22)10-19(16)23-18-7-5-15(27-2)11-17(18)21/h3-11H,1-2H3"	CC1=C(C=CC(=C1)[N+](=O)[O-])SC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC	AIGSGQCDBBCEAL-UHFFFAOYSA-N
DG54178	9-[(4-Nitrophenyl)methylsulfanyl]acridin-3-amine	371147	"NSC645151; 9-[(4-nitrophenyl)methylsulfanyl]acridin-3-amine; 9-[(4-Nitrophenyl)methylthio]acridine-3-ylamine; 3-Acridineamine, 9-[[(4-nitrophenyl)methyl]thio]-; CHEMBL1969701; ZINC5594112; BG-314; NSC-645151; NCI60_015357; 3-Amino-9-((4-(hydroxy(oxido)amino)benzyl)thio)acridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645151	.	.	.	.	361.4	C20H15N3O2S	110	492	4.7	26	1	5	3	"InChI=1S/C20H15N3O2S/c21-14-7-10-17-19(11-14)22-18-4-2-1-3-16(18)20(17)26-12-13-5-8-15(9-6-13)23(24)25/h1-11H,12,21H2"	C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)N)SCC4=CC=C(C=C4)[N+](=O)[O-]	AVIAVVISMHVVAC-UHFFFAOYSA-N
DG54179	2-(3-aminoacridin-9-yl)sulfanyl-N-[2-[2-[[2-(3-aminoacridin-9-yl)sulfanylacetyl]amino]phenyl]phenyl]acetamide	371156	"NSC645157; CHEMBL2002129; ZINC82185531; NSC-645157; 2-(3-aminoacridin-9-yl)sulfanyl-N-[2-[2-[[2-(3-aminoacridin-9-yl)sulfanylacetyl]amino]phenyl]phenyl]acetamide; NCI60_015363; 4,N'-(3-amino-9-thioacetamido)-acridine]-biphenyl; {4,7-[Bis-N,N'-(3-amino-9-thioacetamido)-acridine]-biphenyl}; 2-((3-Amino-9-acridinyl)thio)-N-(2'-((((3-amino-9-acridinyl)thio)acetyl)amino)[1,1'-biphenyl]-2-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645157	.	.	.	.	716.9	C42H32N6O2S2	187	1120	8.2	52	4	8	9	"InChI=1S/C42H32N6O2S2/c43-25-17-19-31-37(21-25)45-35-15-7-3-11-29(35)41(31)51-23-39(49)47-33-13-5-1-9-27(33)28-10-2-6-14-34(28)48-40(50)24-52-42-30-12-4-8-16-36(30)46-38-22-26(44)18-20-32(38)42/h1-22H,23-24,43-44H2,(H,47,49)(H,48,50)"	C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)N)SCC(=O)NC4=CC=CC=C4C5=CC=CC=C5NC(=O)CSC6=C7C=CC(=CC7=NC8=CC=CC=C86)N	FLFZOHFFQPTMRT-UHFFFAOYSA-N
DG54180	6-chloro-N-[2-[2-[(6-chloro-2-methoxy-acridin-9-yl)amino]phenyl]phenyl]-2-methoxy-acridin-9-amine	371158	"NSC645159; CHEMBL2006251; NSC-645159; NCI60_015365; N~2~,N~2~'-Bis(6-chloro-2-methoxy-9-acridinyl)[1,1'-biphenyl]-2,2'-diamine; 6-chloro-N-[2-[2-[(6-chloro-2-methoxy-acridin-9-yl)amino]phenyl]phenyl]-2-methoxy-acridin-9-amine; N-(6-Chloro-2-methoxy-9-acridinyl)-N-(2'-((6-chloro-2-methoxy-9-acridinyl)amino)[1,1'-biphenyl]-2-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645159	.	.	.	.	667.6	C40H28Cl2N4O2	68.3	975	11	48	2	6	7	"InChI=1S/C40H28Cl2N4O2/c1-47-25-13-17-35-31(21-25)39(29-15-11-23(41)19-37(29)43-35)45-33-9-5-3-7-27(33)28-8-4-6-10-34(28)46-40-30-16-12-24(42)20-38(30)44-36-18-14-26(48-2)22-32(36)40/h3-22H,1-2H3,(H,43,45)(H,44,46)"	COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC=CC=C4C5=CC=CC=C5NC6=C7C=C(C=CC7=NC8=C6C=CC(=C8)Cl)OC	WAONKDINIIPATP-UHFFFAOYSA-N
DG54181	"1,9-Bis(2-(diethylamino)ethyl)-10-methylpyrido[3,2-g]quinoline-4,6(1H,9H)-dione"	371160	"NSC645161; 1,9-Bis(2-(diethylamino)ethyl)-10-methylpyrido[3,2-g]quinoline-4,6(1H,9H)-dione; CHEMBL1990623; NSC-645161; NCI60_015367; 1,9-bis(2-diethylaminoethyl)-10-methyl-pyrido[3,2-g]quinoline-4,6-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645161	.	.	.	.	424.6	C25H36N4O2	47.1	627	3.4	31	0	6	10	"InChI=1S/C25H36N4O2/c1-6-26(7-2)14-16-28-12-10-22(30)20-18-21-23(31)11-13-29(17-15-27(8-3)9-4)25(21)19(5)24(20)28/h10-13,18H,6-9,14-17H2,1-5H3"	CCN(CC)CCN1C=CC(=O)C2=CC3=C(C(=C21)C)N(C=CC3=O)CCN(CC)CC	WPBJWZUIXYBIHI-UHFFFAOYSA-N
DG54182	3-Chloro-9-(2-methyl-4-nitro-phenyl)sulfanyl-acridine	371161	NSC645162; CHEMBL1984947; BG-461; NSC-645162; NCI60_015368; 3-chloro-9-(2-methyl-4-nitro-phenyl)sulfanyl-acridine; 3-Chloro-9-((4-(hydroxy(oxido)amino)-2-methylphenyl)thio)acridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645162	.	.	.	.	380.8	C20H13ClN2O2S	84	517	6.4	26	0	4	2	"InChI=1S/C20H13ClN2O2S/c1-12-10-14(23(24)25)7-9-19(12)26-20-15-4-2-3-5-17(15)22-18-11-13(21)6-8-16(18)20/h2-11H,1H3"	CC1=C(C=CC(=C1)[N+](=O)[O-])SC2=C3C=CC(=CC3=NC4=CC=CC=C42)Cl	LZIWXOTUMNLQOY-UHFFFAOYSA-N
DG54183	9-[(4-Nitro-2-methylphenyl)thio]acridine	371162	NSC645163; CHEMBL1989028; ZINC5552673; NSC-645163; 9-thio-2-methyl-4-nitrophenyl) acridine; NCI60_015369; 9-[(4-Nitro-2-methylphenyl)thio]acridine; 9-(2-methyl-4-nitro-phenyl)sulfanylacridine; 9-((4-(Hydroxy(oxido)amino)-2-methylphenyl)thio)acridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645163	.	.	.	.	346.4	C20H14N2O2S	84	461	5.8	25	0	4	2	"InChI=1S/C20H14N2O2S/c1-13-12-14(22(23)24)10-11-19(13)25-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-12H,1H3"	CC1=C(C=CC(=C1)[N+](=O)[O-])SC2=C3C=CC=CC3=NC4=CC=CC=C42	XWCVMPHRGQINTD-UHFFFAOYSA-N
DG54184	N-(4-((6-Chloro-2-methoxy-9-acridinyl)thio)phenyl)acetamide	371163	NSC645164; CHEMBL1983728; N-(4-((6-Chloro-2-methoxy-9-acridinyl)thio)phenyl)acetamide; NSC-645164; NCI60_015370; N-[4-(6-chloro-2-methoxy-acridin-9-yl)sulfanylphenyl]acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645164	.	.	.	.	408.9	C22H17ClN2O2S	76.5	543	5.4	28	1	4	4	"InChI=1S/C22H17ClN2O2S/c1-13(26)24-15-4-7-17(8-5-15)28-22-18-9-3-14(23)11-21(18)25-20-10-6-16(27-2)12-19(20)22/h3-12H,1-2H3,(H,24,26)"	CC(=O)NC1=CC=C(C=C1)SC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC	PWYMFIRPGIJITI-UHFFFAOYSA-N
DG54185	Diethyl 2-((4-(((3-phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methylene)amino)benzoyl)amino)pentanedioate	371165	NSC645166; CHEMBL1967077; NSC-645166; NCI60_015372; Diethyl 2-((4-(((3-phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methylene)amino)benzoyl)amino)pentanedioate; diethyl 2-[[4-[(E)-[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methyleneamino]benzoyl]amino]pentanedioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645166	.	.	.	.	606.6	C32H29F3N4O5	120	981	5.5	44	1	11	13	"InChI=1S/C32H29F3N4O5/c1-3-43-28(40)17-16-25(31(42)44-4-2)39-30(41)21-10-13-23(14-11-21)36-19-27-29(20-8-6-5-7-9-20)38-24-15-12-22(32(33,34)35)18-26(24)37-27/h5-15,18-19,25H,3-4,16-17H2,1-2H3,(H,39,41)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N=CC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4	ZLLPWAXAXGKTGC-UHFFFAOYSA-N
DG54186	Diethyl 2-[[4-[[methoxy-[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methyl]amino]benzoyl]amino]pentanedioate	371166	NSC645167; CHEMBL1970860; NSC-645167; diethyl 2-[[4-[[methoxy-[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methyl]amino]benzoyl]amino]pentanedioate; NCI60_015373; Diethyl 2-((4-((methoxy(3-phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methyl)amino)benzoyl)amino)pentanedioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645167	.	.	.	.	638.6	C33H33F3N4O6	129	989	5.4	46	2	12	15	"InChI=1S/C33H33F3N4O6/c1-4-45-27(41)18-17-25(32(43)46-5-2)40-30(42)21-11-14-23(15-12-21)37-31(44-3)29-28(20-9-7-6-8-10-20)38-24-16-13-22(33(34,35)36)19-26(24)39-29/h6-16,19,25,31,37H,4-5,17-18H2,1-3H3,(H,40,42)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC(C2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4)OC	DYUJFYMCZCVSIX-UHFFFAOYSA-N
DG54187	"N2-(3,4-dimethoxyphenyl)-3-phenyl-6-(trifluoromethyl)quinoxaline-2,8-diamine"	371167	"NSC645168; CHEMBL1977872; NSC-645168; NCI60_015374; N~2~-(3,4-Dimethoxyphenyl)-3-phenyl-6-(trifluoromethyl)-2,8-quinoxalinediamine; N2-(3,4-dimethoxyphenyl)-3-phenyl-6-(trifluoromethyl)quinoxaline-2,8-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645168	.	.	.	.	440.4	C23H19F3N4O2	82.3	604	4.9	32	2	9	5	"InChI=1S/C23H19F3N4O2/c1-31-18-9-8-15(12-19(18)32-2)28-22-20(13-6-4-3-5-7-13)29-17-11-14(23(24,25)26)10-16(27)21(17)30-22/h3-12H,27H2,1-2H3,(H,28,30)"	COC1=C(C=C(C=C1)NC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N)OC	RKSHAXFGZMSRKU-UHFFFAOYSA-N
DG54188	"3-Phenyl-6-(trifluoromethyl)quinoxaline-2,8-diamine"	371169	"NSC645170; 3-phenyl-6-(trifluoromethyl)quinoxaline-2,8-diamine; 3-Phenyl-6-(trifluoromethyl)-2,8-quinoxalinediamine; CHEMBL1982663; NSC-645170; NCI60_015376"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645170	.	.	.	.	304.27	C15H11F3N4	77.8	384	2.7	22	2	7	1	"InChI=1S/C15H11F3N4/c16-15(17,18)9-6-10(19)13-11(7-9)21-12(14(20)22-13)8-4-2-1-3-5-8/h1-7H,19H2,(H2,20,22)"	C1=CC=C(C=C1)C2=NC3=CC(=CC(=C3N=C2N)N)C(F)(F)F	OXTLTUQJSNCLKF-UHFFFAOYSA-N
DG54189	"2-[(4-Fluoro-alpha-oxophenethyl)amino]-3-chloro-1,4-naphthoquinone"	371175	"NSC645207; CHEMBL1968670; NSC-645207; NCI60_015382; 2-[(4-Fluoro-alpha-oxophenethyl)amino]-3-chloro-1,4-naphthoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645207	.	.	.	.	343.7	C18H11ClFNO3	63.2	581	3.4	24	1	4	3	"InChI=1S/C18H11ClFNO3/c19-15-16(18(24)13-4-2-1-3-12(13)17(15)23)21-14(22)9-10-5-7-11(20)8-6-10/h1-8H,9H2,(H,21,22)"	C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC(=O)CC3=CC=C(C=C3)F	UVROQTTYJPEGDK-UHFFFAOYSA-N
DG54190	"2-[(2-Fluoro-alpha-oxophenethyl)amino]-3-chloro-1,4-naphthoquinone"	371178	"NSC645210; Neuro_000336; CHEMBL277566; SCHEMBL7961611; ZINC6561; NSC-645210; NCI60_015385; 1, 2-chloro-3-[[2-(2-fluorophenyl)- 1-oxoethyl]amino]-; 2-[(2-Fluoro-alpha-oxophenethyl)amino]-3-chloro-1,4-naphthoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645210	.	.	.	.	343.7	C18H11ClFNO3	63.2	589	3.4	24	1	4	3	"InChI=1S/C18H11ClFNO3/c19-15-16(18(24)12-7-3-2-6-11(12)17(15)23)21-14(22)9-10-5-1-4-8-13(10)20/h1-8H,9H2,(H,21,22)"	C1=CC=C(C(=C1)CC(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)F	XTWWGIRYIKFREK-UHFFFAOYSA-N
DG54191	9-Ethoxy-2-[1-(2-fluorophenyl)propyl]benzo[f]benzimidazol-4-one	371182	NSC645214; CHEMBL1971292; NSC-645214; NCI60_015389	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645214	.	.	.	.	362.4	C22H19FN2O2	51	696	3.9	27	0	4	5	"InChI=1S/C22H19FN2O2/c1-3-13(14-9-7-8-12-17(14)23)22-24-18-19(25-22)21(27-4-2)16-11-6-5-10-15(16)20(18)26/h5-13H,3-4H2,1-2H3"	CCC(C1=CC=CC=C1F)C2=NC3=C(C4=CC=CC=C4C(=O)C3=N2)OCC	ALYWAMQRXVVHOD-UHFFFAOYSA-N
DG54192	"1-[(4-Methoxyphenyl)methyl]-2-methyl-isoquinolin-2-ium-6,7-diol"	371203	"NSC645253; CHEMBL1989408; NSC-645253; 1-(4-Methoxybenzyl)-2-methyl-2.lambda.~5~-isoquinoline-6,7-diol; 1-[(4-methoxyphenyl)methyl]-2-methyl-isoquinolin-2-ium-6,7-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645253	.	.	.	.	295.3	C18H17NO3	49.8	590	2.4	22	1	4	3	"InChI=1S/C18H17NO3/c1-19-8-7-13-10-17(20)18(21)11-15(13)16(19)9-12-3-5-14(22-2)6-4-12/h3-8,10-11,21H,9H2,1-2H3"	CN1C=CC2=CC(=O)C(=CC2=C1CC3=CC=C(C=C3)OC)O	LCPHLHANZXJDQN-UHFFFAOYSA-N
DG54193	"8-((2-Bromo-4,5-dimethoxybenzylidene)amino)-2-naphthyl 4-(hydroxy(oxido)amino)benzenesulfonate"	371207	"NSC645257; CHEMBL1991319; NSC-645257; NCI60_015408; [8-[(E)-(2-bromo-4,5-dimethoxy-phenyl)methyleneamino]-2-naphthyl] 4-nitrobenzenesulfonate; 8-((2-Bromo-4,5-dimethoxybenzylidene)amino)-2-naphthyl 4-(hydroxy(oxido)amino)benzenesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645257	.	.	.	.	571.4	C25H19BrN2O7S	128	869	6	36	0	8	7	"InChI=1S/C25H19BrN2O7S/c1-33-24-12-17(22(26)14-25(24)34-2)15-27-23-5-3-4-16-6-9-19(13-21(16)23)35-36(31,32)20-10-7-18(8-11-20)28(29)30/h3-15H,1-2H3"	COC1=C(C=C(C(=C1)C=NC2=CC=CC3=C2C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])Br)OC	BMDLKQVHHYQDSC-UHFFFAOYSA-N
DG54194	"8-((2-Bromo-4,5-dimethoxybenzylidene)amino)-2-naphthyl 3-(hydroxy(oxido)amino)benzenesulfonate"	371211	"NSC645260; CHEMBL1994749; NSC-645260; NCI60_015410; [8-[(E)-(2-bromo-4,5-dimethoxy-phenyl)methyleneamino]-2-naphthyl] 3-nitrobenzenesulfonate; 8-((2-Bromo-4,5-dimethoxybenzylidene)amino)-2-naphthyl 3-(hydroxy(oxido)amino)benzenesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645260	.	.	.	.	571.4	C25H19BrN2O7S	128	877	6	36	0	8	7	"InChI=1S/C25H19BrN2O7S/c1-33-24-11-17(22(26)14-25(24)34-2)15-27-23-8-3-5-16-9-10-19(13-21(16)23)35-36(31,32)20-7-4-6-18(12-20)28(29)30/h3-15H,1-2H3"	COC1=C(C=C(C(=C1)C=NC2=CC=CC3=C2C=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])Br)OC	UYECKQZWTMZTHT-UHFFFAOYSA-N
DG54195	"1-(2-(2,5-Dimethoxyphenyl)ethyl)-4,5-dimethoxy-2-methylbenzene"	371216	"NSC645265; 1-(2-(2,5-Dimethoxyphenyl)ethyl)-4,5-dimethoxy-2-methylbenzene; CHEMBL1964412; SCHEMBL11812353; NSC-645265; NCI60_015414; 1-[2-(2,5-dimethoxyphenyl)ethyl]-4,5-dimethoxy-2-methyl-benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645265	.	.	.	.	316.4	C19H24O4	36.9	335	4.4	23	0	4	7	"InChI=1S/C19H24O4/c1-13-10-18(22-4)19(23-5)12-14(13)6-7-15-11-16(20-2)8-9-17(15)21-3/h8-12H,6-7H2,1-5H3"	CC1=CC(=C(C=C1CCC2=C(C=CC(=C2)OC)OC)OC)OC	CYLIPZMUKKMUBE-UHFFFAOYSA-N
DG54196	"3-(2-(4-Methoxyphenyl)ethyl)-1-methyl-2,4(1H,3H)-quinazolinedione"	371226	"NSC645283; 3-(2-(4-Methoxyphenyl)ethyl)-1-methyl-2,4(1H,3H)-quinazolinedione; CHEMBL1972855; SCHEMBL17241737; NSC-645283; NCI60_015424; 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-quinazoline-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645283	.	.	.	.	310.3	C18H18N2O3	49.8	446	2.7	23	0	3	4	"InChI=1S/C18H18N2O3/c1-19-16-6-4-3-5-15(16)17(21)20(18(19)22)12-11-13-7-9-14(23-2)10-8-13/h3-10H,11-12H2,1-2H3"	CN1C2=CC=CC=C2C(=O)N(C1=O)CCC3=CC=C(C=C3)OC	GXEHMSZCMANLPC-UHFFFAOYSA-N
DG54197	"6-Ethoxy-8,9-dimethoxy-5-methyl-5,6-dihydrobenzo[c]phenanthridine"	371245	"NSC645302; 6-Ethoxy-8,9-dimethoxy-5-methyl-5,6-dihydrobenzo[c]phenanthridine; CHEMBL1972036; 6-ethoxy-8,9-dimethoxy-5-methyl-6H-benzo[c]phenanthridine; NSC-645302; NCI60_015442"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645302	.	.	.	.	349.4	C22H23NO3	30.9	472	4.8	26	0	4	4	"InChI=1S/C22H23NO3/c1-5-26-22-18-13-20(25-4)19(24-3)12-17(18)16-11-10-14-8-6-7-9-15(14)21(16)23(22)2/h6-13,22H,5H2,1-4H3"	CCOC1C2=CC(=C(C=C2C3=C(N1C)C4=CC=CC=C4C=C3)OC)OC	URZDFUIXJZWTKL-UHFFFAOYSA-N
DG54198	"N-(2-Chlorobenzylidene)-6,7-dimethoxy-1-naphthalenamine"	371247	"NSC645304; CHEMBL1977727; N-(2-Chlorobenzylidene)-6,7-dimethoxy-1-naphthalenamine; ZINC105500019; NSC-645304; NCI60_015444; N-(2-Chlorobenzylidene)-N-(6,7-dimethoxy-1-naphthyl)amine; 1-(2-chlorophenyl)-N-(6,7-dimethoxy-1-naphthyl)methanimine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645304	.	.	.	.	325.8	C19H16ClNO2	30.8	403	5	23	0	3	4	"InChI=1S/C19H16ClNO2/c1-22-18-10-13-7-5-9-17(15(13)11-19(18)23-2)21-12-14-6-3-4-8-16(14)20/h3-12H,1-2H3"	COC1=C(C=C2C(=C1)C=CC=C2N=CC3=CC=CC=C3Cl)OC	GPUSOEYWAIAOJY-UHFFFAOYSA-N
DG54199	"3-(Benzyloxy)-8,9-dimethoxybenzo[c]phenanthridine"	371248	"NSC645307; 3-(Benzyloxy)-8,9-dimethoxybenzo[c]phenanthridine; CHEMBL1993207; NSC-645307; NCI60_015447; 3-benzyloxy-8,9-dimethoxy-benzo[c]phenanthridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645307	.	.	.	.	395.4	C26H21NO3	40.6	550	6.1	30	0	4	5	"InChI=1S/C26H21NO3/c1-28-24-12-19-15-27-26-21(22(19)14-25(24)29-2)11-9-18-8-10-20(13-23(18)26)30-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3"	COC1=C(C=C2C3=C(C4=C(C=CC(=C4)OCC5=CC=CC=C5)C=C3)N=CC2=C1)OC	HVWZGTCNNAXXNY-UHFFFAOYSA-N
DG54200	"8-Ethoxy-2,3,9-trimethoxybenzo[c]phenanthridine"	371252	"NSC645310; 8-Ethoxy-2,3,9-trimethoxybenzo[c]phenanthridine; CHEMBL1975137; NSC-645310; NCI60_015450; 8-ethoxy-2,3,9-trimethoxy-benzo[c]phenanthridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645310	.	.	.	.	363.4	C22H21NO4	49.8	489	4.9	27	0	5	5	"InChI=1S/C22H21NO4/c1-5-27-21-9-14-12-23-22-15(16(14)10-20(21)26-4)7-6-13-8-18(24-2)19(25-3)11-17(13)22/h6-12H,5H2,1-4H3"	CCOC1=C(C=C2C3=C(C4=CC(=C(C=C4C=C3)OC)OC)N=CC2=C1)OC	WUZPDVYKQBJBLE-UHFFFAOYSA-N
DG54201	"2-Bromo-3,4,5-trimethoxy-N-(1-naphthyl)benzamide"	371255	"NSC645312; 2-Bromo-3,4,5-trimethoxy-N-(1-naphthyl)benzamide; CHEMBL1991000; ZINC1159610; AKOS002953061; MCULE-1557921011; NSC-645312; NCI60_015452"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645312	.	.	.	.	416.3	C20H18BrNO4	56.8	477	4.6	26	1	4	5	"InChI=1S/C20H18BrNO4/c1-24-16-11-14(17(21)19(26-3)18(16)25-2)20(23)22-15-10-6-8-12-7-4-5-9-13(12)15/h4-11H,1-3H3,(H,22,23)"	COC1=C(C(=C(C(=C1)C(=O)NC2=CC=CC3=CC=CC=C32)Br)OC)OC	KYWXMRXJBFKMTF-UHFFFAOYSA-N
DG54202	Oxycanthine	371257	"N-Methylsepeerine; Oxycanthine; 6,6',7-Trimethoxy-2,2'-dimethyloxyacanthan-12'-ol; NSC645315; NSC93135; NSC-645315; Vovkin 9; HMS3347D01; NSC-93135; STL565384; AKOS000277740; AKOS037623514; MCULE-6327057075; NCI60_015453; 6,6'7-Trimethoxy-2,2'-dimethyl-Oxyacanthan-12'-ol; Oxyacanthan-12'-ol,6',7-trimethoxy-2,2'-dimethyl-; 6,6',7-Trimethoxy-2,2'-dimethyloxyacanthan-12'-ol #; 6,6'7'-Trimethoxy-2,2'-dimethyl-Oxyacanthan-12'-ol; Oxyacanthan-12'-ol,6',7'-trimethoxy-2,2'-dimethyl-; 6,21-Dioxa-13,28-diazaheptacyclo[3.25.1(27,5).0(1,31).2(7.14).0(10,33).1(16.20).2(22.25)]hexatriacontan-1,3,5,7,9,16,18,20,22,24,33,36-dodecaene, 13,28-dimethyl-19-hydroxy-3,4,8-tris(methoxy)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645315	.	.	.	.	608.7	C37H40N2O6	72.9	963	6.3	45	1	8	3	"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3"	CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)OC)OC	HGNHIFJNOKGSKI-UHFFFAOYSA-N
DG54203	Sanguilutine pseudobase	371258	"Sanguilutine pseudobase; NSC645317; 4922-45-6; CHEMBL1985737; DTXSID30327313; NSC-645317; 2,3,7,8,10-pentamethoxy-5-methyl-benzo[c]phenanthridin-5-ium-6-ol; 2,3,7,8,10-Pentamethoxy-5-methyl-5.lambda.~5~-benzo[c]phenanthridin-6-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645317	.	.	.	.	409.4	C23H23NO6	66.5	617	3.8	30	0	6	5	"InChI=1S/C23H23NO6/c1-24-21-13(8-7-12-9-15(26-2)16(27-3)10-14(12)21)19-17(28-4)11-18(29-5)22(30-6)20(19)23(24)25/h7-11H,1-6H3"	CN1C2=C(C=CC3=CC(=C(C=C32)OC)OC)C4=C(C1=O)C(=C(C=C4OC)OC)OC	MPXWNNCONPUOGM-UHFFFAOYSA-N
DG54204	Cowlteropine	371260	"Coulteropine; Cowlteropine; 6014-62-6; Coulteropine (neutral); NSC645319; 5-methoxy-15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaen-3-one; CHEMBL1980707; NSC-645319; 14-Methoxy-7-methyl-6,8,9,16-tetrahydrodi[1,3]benzodioxolo[4,5-c:5,6-g]azecin-15(7H)-one; 7,13a-Secoberbin-13a-one, 1-methoxy-7-methyl-2,3:9,10-bis(methylenedioxy)-; Bis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-13(5H)-one, 4,6,7,14-tetrahydro-12-methoxy-5-methyl-; NCI60_015456; 14-Methoxy-7-methyl-6,8,9,16-tetrahydrodi[1,3]benzodioxolo[4,5-c:5,6-g]azecin-15(7H)-one #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645319	.	.	.	.	383.4	C21H21NO6	66.5	587	2.8	28	0	7	1	"InChI=1S/C21H21NO6/c1-22-6-5-13-8-17-20(28-11-26-17)21(24-2)18(13)15(23)7-12-3-4-16-19(14(12)9-22)27-10-25-16/h3-4,8H,5-7,9-11H2,1-2H3"	CN1CCC2=CC3=C(C(=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OC)OCO3	SWBXJEKOHMOEFV-UHFFFAOYSA-N
DG54205	"7-Methoxy-2,5-diphenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione"	371269	"NSC645328; 7-Methoxy-2,5-diphenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione; CHEMBL1974239; 7-methoxy-2,5-diphenyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione; NSC-645328; NCI60_015465"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645328	.	.	.	.	418.4	C27H18N2O3	62.4	728	5.5	32	1	3	3	"InChI=1S/C27H18N2O3/c1-32-18-12-13-22-20(14-18)23-19(16-8-4-2-5-9-16)15-21-24(25(23)28-22)27(31)29(26(21)30)17-10-6-3-7-11-17/h2-15,28H,1H3"	COC1=CC2=C(C=C1)NC3=C2C(=CC4=C3C(=O)N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6	IZGXHTJXRTYOSU-UHFFFAOYSA-N
DG54206	"10-Benzyl-2-phenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione"	371270	"NSC645329; 10-Benzyl-2-phenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione; CHEMBL1978215; NSC-645329; NCI60_015466; 10-benzyl-2-phenyl-pyrrolo[3,4-a]carbazole-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645329	.	.	.	.	402.4	C27H18N2O2	42.3	695	5.5	31	0	2	3	"InChI=1S/C27H18N2O2/c30-26-22-16-15-21-20-13-7-8-14-23(20)28(17-18-9-3-1-4-10-18)25(21)24(22)27(31)29(26)19-11-5-2-6-12-19/h1-16H,17H2"	C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)N(C5=O)C6=CC=CC=C6	RXDUZIWQGWYXFL-UHFFFAOYSA-N
DG54207	"11H-Benzo[a]carbazole-1,4-dione, 7,11-dimethyl-"	371271	"NSC645330; MLS000756825; 11H-Benzo[a]carbazole-1,4-dione, 7,11-dimethyl-; 7,11-dimethylbenzo[a]carbazole-1,4-dione; SMR000529086; cid_371271; CHEMBL1489368; SCHEMBL21945225; BDBM43480; ZINC1629569; NSC-645330; NCI60_015467; 11H-Benzo[a]carbazole-1, 7,11-dimethyl-; 7,11-dimethylbenzo[a]carbazole-1,4-quinone; 7,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645330	.	.	.	.	275.3	C18H13NO2	39.1	511	3.2	21	0	2	0	"InChI=1S/C18H13NO2/c1-10-4-3-5-13-16(10)12-7-6-11-14(20)8-9-15(21)17(11)18(12)19(13)2/h3-9H,1-2H3"	CC1=C2C3=C(C4=C(C=C3)C(=O)C=CC4=O)N(C2=CC=C1)C	HYPOPXGVJOVIPH-UHFFFAOYSA-N
DG54208	"(3aR,5R,9bR)-5-propyl-3,3a,5,9b-tetrahydrofuro[3,2-c]isochromene-2,6,9-trione"	371285	NSC645362; CHEMBL1975358; NSC-645362; NCI60_015492	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645362	.	.	.	.	262.26	C14H14O5	69.7	528	0.3	19	0	5	2	"InChI=1S/C14H14O5/c1-2-3-9-12-7(15)4-5-8(16)13(12)14-10(18-9)6-11(17)19-14/h4-5,9-10,14H,2-3,6H2,1H3/t9-,10-,14+/m1/s1"	CCC[C@@H]1C2=C([C@@H]3[C@H](O1)CC(=O)O3)C(=O)C=CC2=O	JUFCKRZBJCRZJF-RULNRJAQSA-N
DG54209	"1-(2-Methyl-5-nitro-1h-imidazol-1-yl)-3-(3-nitro-1h-1,2,4-triazol-1-yl)propan-2-ol"	371294	"NSC645369; CHEMBL299287; NSC-645369; {1-[(2-Hydroxy-3-(2-methyl-5-nitroimidazolyl)-propyl]-3-nitro-1,2,} 4-triazole; 1-(2-methyl-5-nitro-1h-imidazol-1-yl)-3-(3-nitro-1h-1,2,4-triazol-1-yl)propan-2-ol; NCI60_015497; 1-(2-methyl-5-nitro-imidazol-1-yl)-3-(3-nitro-1,2,4-triazol-1-yl)propan-2-ol; 1-[(2-hydroxy-3-(2-methyl-5-nitroimidazolyl)-propyl]-3-nitro-1,4-triazole; 1-(5-(Hydroxy(oxido)amino)-2-methyl-1H-imidazol-1-yl)-3-(3-(hydroxy(oxido)amino)-1H-1,2,4-triazol-1-yl)-2-propanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645369	.	.	.	.	297.23	C9H11N7O5	160	399	-0.2	21	1	8	4	"InChI=1S/C9H11N7O5/c1-6-10-2-8(15(18)19)14(6)4-7(17)3-13-5-11-9(12-13)16(20)21/h2,5,7,17H,3-4H2,1H3"	CC1=NC=C(N1CC(CN2C=NC(=N2)[N+](=O)[O-])O)[N+](=O)[O-]	VWRCFCMUUYLSDU-UHFFFAOYSA-N
DG54210	4-(2-((10-((2-(4-Cyanophenoxy)ethyl)thio)decyl)thio)ethoxy)benzonitrile	371302	NSC645376; 4-(2-((10-((2-(4-Cyanophenoxy)ethyl)thio)decyl)thio)ethoxy)benzonitrile; CHEMBL1984502; ZINC5811728; 4-[2-[10-[2-(4-cyanophenoxy)ethylsulfanyl]decylsulfanyl]ethoxy]benzonitrile; NSC-645376; NCI60_015504	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645376	.	.	.	.	496.7	C28H36N2O2S2	117	532	7.9	34	0	6	19	"InChI=1S/C28H36N2O2S2/c29-23-25-9-13-27(14-10-25)31-17-21-33-19-7-5-3-1-2-4-6-8-20-34-22-18-32-28-15-11-26(24-30)12-16-28/h9-16H,1-8,17-22H2"	C1=CC(=CC=C1C#N)OCCSCCCCCCCCCCSCCOC2=CC=C(C=C2)C#N	OBLSUCCAFJPIGO-UHFFFAOYSA-N
DG54211	"3,7-Bis(chloromethyl)-4,10-dimethyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione"	371310	"NSC645384; 3,7-Bis(chloromethyl)-4,10-dimethyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione; CHEMBL1988952; ZINC1629589; NSC-645384; NCI60_015512; 3,7-bis(chloromethyl)-4,10-dimethyl-pyrano[3,2-g]chromene-2,6-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645384	.	.	.	.	339.2	C16H12Cl2O4	52.6	581	2.6	22	0	4	2	"InChI=1S/C16H12Cl2O4/c1-7-10-3-11-13(19)9(4-17)6-21-14(11)8(2)15(10)22-16(20)12(7)5-18/h3,6H,4-5H2,1-2H3"	CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=O)C(=CO3)CCl)C)CCl	SVYPQUMTTHYNPL-UHFFFAOYSA-N
DG54212	2-(4-Chlorophenyl)-7-(2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy)-4H-chromen-4-one	371322	NSC645396; 2-(4-Chlorophenyl)-7-(2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy)-4H-chromen-4-one; CHEMBL1967958; ZINC5732776; 2-(4-chlorophenyl)-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]chromen-4-one; NSC-645396; NCI60_015524	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645396	.	.	.	.	474.9	C27H23ClN2O4	59.1	752	5.7	34	0	5	5	"InChI=1S/C27H23ClN2O4/c28-20-8-6-19(7-9-20)25-17-24(31)23-11-10-22(16-26(23)34-25)33-18-27(32)30-14-12-29(13-15-30)21-4-2-1-3-5-21/h1-11,16-17H,12-15,18H2"	C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC4=C(C=C3)C(=O)C=C(O4)C5=CC=C(C=C5)Cl	KMERLXXTBRECEL-UHFFFAOYSA-N
DG54213	"Methyl 1-ethyl-5a-phenyl-1,2,4,5,5a,6,8a,8b-octahydropyrrolo[3,2,1-hi]indole-7-carboxylate"	371325	"NSC645429; Methyl 1-ethyl-5a-phenyl-1,2,4,5,5a,6,8a,8b-octahydropyrrolo[3,2,1-hi]indole-7-carboxylate; CHEMBL1984737; methyl ethyl(phenyl)[ ]carboxylate; NSC-645429; NCI60_015527; {Pyrrolo[3,2,1-hi]indole-7-carboxylic} acid, 1-ethyl-1,2,4,5,5a,6, 8a,8b-octahydro-5a-phenyl-, methyl ester; Pyrrolo[3,1-hi]indole-7-carboxylic acid, 1-ethyl-1,2,4,5,5a,6,8a,8b-octahydro-5a-phenyl-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645429	.	.	.	.	311.4	C20H25NO2	29.5	508	3.7	23	0	3	4	"InChI=1S/C20H25NO2/c1-3-14-13-21-10-9-20(16-7-5-4-6-8-16)12-15(19(22)23-2)11-17(14)18(20)21/h4-8,11,14,17-18H,3,9-10,12-13H2,1-2H3"	CCC1CN2CCC3(C2C1C=C(C3)C(=O)OC)C4=CC=CC=C4	FMIGRRCIKMUYOO-UHFFFAOYSA-N
DG54214	"1H-Benz[g]indol-5-ol, 2-phenyl"	371327	"1H-Benz[g]indol-5-ol, 2-phenyl; NSC645431; 2-Phenyl-1H-benzo[g]indol-5-ol; CHEMBL1967059; ZINC1629597; {1H-Benz[g]indol-5-ol,} 2-phenyl; NSC-645431; NCI60_015529"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645431	.	.	.	.	259.3	C18H13NO	36	338	4.6	20	2	1	1	"InChI=1S/C18H13NO/c20-17-11-13-10-16(12-6-2-1-3-7-12)19-18(13)15-9-5-4-8-14(15)17/h1-11,19-20H"	C1=CC=C(C=C1)C2=CC3=C(N2)C4=CC=CC=C4C(=C3)O	CPMFHDMMFAPLJH-UHFFFAOYSA-N
DG54215	"4-Methyl-1,2-bis(trifluoromethyl)-1,2,3,6-tetrahydro-1,2-diphosphinine"	371328	"NSC645455; 4-Methyl-1,2-bis(trifluoromethyl)-1,2,3,6-tetrahydro-1,2-diphosphinine; CHEMBL1985210; 4-methyl-1,2-bis(trifluoromethyl)-3,6-dihydrodiphosphinine; NSC-645455; NCI60_015530"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645455	.	.	.	.	268.08	C7H8F6P2	0	266	2.4	15	0	6	0	"InChI=1S/C7H8F6P2/c1-5-2-3-14(6(8,9)10)15(4-5)7(11,12)13/h2H,3-4H2,1H3"	CC1=CCP(P(C1)C(F)(F)F)C(F)(F)F	WYEKHOCKDGBCGV-UHFFFAOYSA-N
DG54216	NSC645464	371333	"(4bR,8S,10aR,12aS)-2-amino-8-hydroxy-10a,12a-dimethyl-4a,4b,5,7,8,9,10,10b,11,12-decahydro-4H-naphtho[2,1-f]isoquinoline-1,3-dione; NSC645464; CHEMBL1998034; NSC-645464; NCI60_015539"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645464	.	.	.	.	332.4	C19H28N2O3	83.6	630	1.4	24	2	4	0	"InChI=1S/C19H28N2O3/c1-18-7-5-12(22)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(23)21(20)17(19)24/h3,12-15,22H,4-10,20H2,1-2H3/t12-,13+,14 ,15 ,18-,19-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3C2CC[C@]4(C3CC(=O)N(C4=O)N)C)O	HDOMUOSSPZHKBI-SATMMKAJSA-N
DG54217	"[1,3]Benzoxathiepino[5,4-d]pyrimidine 5,5-dioxide"	371337	"NSC645468; [1,3]Benzoxathiepino[5,4-d]pyrimidine 5,5-dioxide; CHEMBL1982526; AKOS015917162; NSC-645468; NCI60_015543"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645468	.	.	.	.	248.26	C11H8N2O3S	77.5	379	0.9	17	0	5	0	"InChI=1S/C11H8N2O3S/c14-17(15)7-16-9-4-2-1-3-8(9)11-10(17)5-12-6-13-11/h1-6H,7H2"	C1OC2=CC=CC=C2C3=NC=NC=C3S1(=O)=O	FYUILLLHLJAQAF-UHFFFAOYSA-N
DG54218	"Dimethyl 2,11-bis(benzyloxycarbonylamino)-2,11-bis(trifluoromethyl)dodeca-3,9-diynedioate"	371338	"NSC645527; CHEMBL2003552; NSC-645527; NCI60_015544; dimethyl 2,11-bis(benzyloxycarbonylamino)-2,11-bis(trifluoromethyl)dodeca-3,9-diynedioate; 2,11-Bis(benzyloxycarbonylamino)-2,11-bis(trifluoromethyl)-3,9-dodecadiyne-1,12-dioic acid dimethyl ester; Dimethyl 2,11-bis(((benzyloxy)carbonyl)amino)-2,11-bis(trifluoromethyl)-3,9-dodecadiynedioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645527	.	.	.	.	684.6	C32H30F6N2O8	129	1150	6.9	48	2	14	17	"InChI=1S/C32H30F6N2O8/c1-45-25(41)29(31(33,34)35,39-27(43)47-21-23-15-9-7-10-16-23)19-13-5-3-4-6-14-20-30(26(42)46-2,32(36,37)38)40-28(44)48-22-24-17-11-8-12-18-24/h7-12,15-18H,3-6,21-22H2,1-2H3,(H,39,43)(H,40,44)"	COC(=O)C(C#CCCCCC#CC(C(=O)OC)(C(F)(F)F)NC(=O)OCC1=CC=CC=C1)(C(F)(F)F)NC(=O)OCC2=CC=CC=C2	KEYPNBNTAABJBW-UHFFFAOYSA-N
DG54219	"Ethyl 5-(dichloromethylene)-2,2-diphenyl-2,5-dihydro-1,3-oxazole-4-carboxylate"	371339	"NSC645528; Ethyl 5-(dichloromethylene)-2,2-diphenyl-2,5-dihydro-1,3-oxazole-4-carboxylate; CHEMBL1990356; NSC-645528; NCI60_015545; ethyl 5-(dichloromethylene)-2,2-diphenyl-oxazole-4-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645528	.	.	.	.	376.2	C19H15Cl2NO3	47.9	539	5.2	25	0	4	5	"InChI=1S/C19H15Cl2NO3/c1-2-24-18(23)15-16(17(20)21)25-19(22-15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3"	CCOC(=O)C1=NC(OC1=C(Cl)Cl)(C2=CC=CC=C2)C3=CC=CC=C3	PTTHNFORTJLYKS-UHFFFAOYSA-N
DG54220	"1,2-Bis(diethoxyphosphoryl)ethane; dichloro(diethyl)stannane"	371346	"NSC645566; MLS002702923; SMR001566738; 1,2-bis(diethoxyphosphoryl)ethane; dichloro(diethyl)stannane; NSC-645566; NCI60_015552"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645566	.	.	.	.	550	C14H34Cl2O6P2Sn	71.1	304	.	25	0	6	13	"InChI=1S/C10H24O6P2.2C2H5.2ClH.Sn/c1-5-13-17(11,14-6-2)9-10-18(12,15-7-3)16-8-4;2*1-2;;;/h5-10H2,1-4H3;2*1H2,2H3;2*1H;/q;;;;;+2/p-2"	CCOP(=O)(CCP(=O)(OCC)OCC)OCC.CC[Sn](CC)(Cl)Cl	LYRPCOHMCJESTN-UHFFFAOYSA-L
DG54221	"1,1-bis(diisopropoxyphosphoryl)-N,N-dimethyl-methanamine; trichloro(phenyl)stannane"	371347	"NSC645567; CCG-35488; NSC-645567; NCI60_015553; 1,1-bis(diisopropoxyphosphoryl)-N,N-dimethyl-methanamine; trichloro(phenyl)stannane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645567	.	.	.	.	689.6	C21H40Cl3NO6P2Sn	74.3	503	.	34	0	7	11	"InChI=1S/C15H35NO6P2.C6H5.3ClH.Sn/c1-11(2)19-23(17,20-12(3)4)15(16(9)10)24(18,21-13(5)6)22-14(7)8;1-2-4-6-5-3-1;;;;/h11-15H,1-10H3;1-5H;3*1H;/q;;;;;+3/p-3"	CC(C)OP(=O)(C(N(C)C)P(=O)(OC(C)C)OC(C)C)OC(C)C.C1=CC=C(C=C1)[Sn](Cl)(Cl)Cl	LAKCTDRHFWPAEW-UHFFFAOYSA-K
DG54222	2-acetamido-N-benzyl-5-[[nitroso(prop-2-ynyl)carbamoyl]amino]pentanamide	371363	"NSC645583; CHEMBL1967886; DTXSID10875064; 2-acetamido-N-benzyl-5-[[nitroso(prop-2-ynyl)carbamoyl]amino]pentanamide; NSC-645583; 2-(Acetylamino)-N-benzyl-5-(((2-oxo-1-(2-propynyl)hydrazino)carbonyl)amino)pentanamide; NCI60_015567; N1-PROPARGYLNITROSOUREA,DIAMINOACID ANALOG #2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645583	.	.	.	.	373.4	C18H23N5O4	120	565	0.8	27	3	5	9	"InChI=1S/C18H23N5O4/c1-3-12-23(22-27)18(26)19-11-7-10-16(21-14(2)24)17(25)20-13-15-8-5-4-6-9-15/h1,4-6,8-9,16H,7,10-13H2,2H3,(H,19,26)(H,20,25)(H,21,24)"	CC(=O)NC(CCCNC(=O)N(CC#C)N=O)C(=O)NCC1=CC=CC=C1	IEQNIIIWMFKPLR-UHFFFAOYSA-N
DG54223	1-((2-Ethyl-1H-benzimidazol-5-yl)diazenyl)-2-naphthol	371434	NSC645656; CHEMBL1968931; NSC-645656; NCI60_015632; 1-((2-Ethyl-1H-benzimidazol-5-yl)diazenyl)-2-naphthol; 1-[(E)-(2-ethyl-1H-benzimidazol-5-yl)azo]naphthalen-2-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645656	.	.	.	.	316.4	C19H16N4O	73.6	457	5	24	2	4	3	"InChI=1S/C19H16N4O/c1-2-18-20-15-9-8-13(11-16(15)21-18)22-23-19-14-6-4-3-5-12(14)7-10-17(19)24/h3-11,24H,2H2,1H3,(H,20,21)"	CCC1=NC2=C(N1)C=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O	CDMBPCSJABTNNV-UHFFFAOYSA-N
DG54224	O-Benzylfluorescein benzyl ester	371436	"Dibenzylfluorescein; O-Benzylfluorescein benzyl ester; 97744-44-0; benzyl 2-(3-oxo-6-phenylmethoxyxanthen-9-yl)benzoate; Benzyl 2-(6-(benzyloxy)-3-oxo-3h-xanthen-9-yl)benzoate; NSC645658; dibenzylflorescein; SCHEMBL1104941; CHEMBL1987290; BDBM189325; ZINC5811934; US9173935, DBF; MFCD13184323; NSC-645658; NCI60_015634; DS-017198; benzyl 2-(3-benzyloxy-6-oxo-xanthen-9-yl)benzoate; Benzyl 2-[6-(benzyloxy)-3-oxo-3H-xanthen-9-yl]benzoate #; 2-[3-Oxo-6-(benzyloxy)-3H-xanthene-9-yl]benzoic acid benzyl ester; 3(3H)-Xanthenone, 6-benzyloxy-9-[2-(benzyloxycarbonyl)phenyl]-; Benzoic acid, 2-[3-oxo-6-(phenylmethoxy)-3h-xanthen-9-yl]-,phenylmethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645658	.	.	.	.	512.5	C34H24O5	61.8	980	6.1	39	0	5	8	"InChI=1S/C34H24O5/c35-25-15-17-29-31(19-25)39-32-20-26(37-21-23-9-3-1-4-10-23)16-18-30(32)33(29)27-13-7-8-14-28(27)34(36)38-22-24-11-5-2-6-12-24/h1-20H,21-22H2"	C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=C4C=CC(=O)C=C4O3)C5=CC=CC=C5C(=O)OCC6=CC=CC=C6	YZJGKSLPSGPFEV-UHFFFAOYSA-N
DG54225	NSC645737	371464	"(5S,8aR)-5-[2-(dimethylamino)ethoxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; NSC645737; NSC-645737; NCI60_015662"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645737	.	.	.	.	471.5	C25H29NO8	95.9	707	2.3	34	1	9	7	"InChI=1S/C25H29NO8/c1-26(2)5-6-31-24-15-10-18-17(33-12-34-18)9-14(15)21(22-16(24)11-32-25(22)28)13-7-19(29-3)23(27)20(8-13)30-4/h7-10,16,21-22,24,27H,5-6,11-12H2,1-4H3/t16 ,21 ,22-,24+/m0/s1"	CN(C)CCO[C@H]1C2COC(=O)[C@@H]2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC	ZGHKEJXIWOMFNA-OPFYLNGXSA-N
DG54226	"5-Phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline"	371501	"5-Phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline; 248603-38-5; NSC645796; MLS001209139; SMR000523802; SCHEMBL936578; cid_371501; CHEMBL1525362; BDBM76281; HMS2847D09; AKOS000303175; AKOS024306171; MCULE-7584931392; NSC-645796; NCI60_015689; SR-01000368659; SR-01000368659-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645796	.	.	.	.	265.3	C18H19NO	21.3	325	3.6	20	1	2	1	"InChI=1S/C18H19NO/c1-2-7-13(8-3-1)17-15-10-6-12-20-18(15)14-9-4-5-11-16(14)19-17/h1-5,7-9,11,15,17-19H,6,10,12H2"	C1CC2C(NC3=CC=CC=C3C2OC1)C4=CC=CC=C4	NNBCJSIAXXSBNX-UHFFFAOYSA-N
DG54227	1-Nitro-9-(2-hydroxyethylamino)-acridine hydrochloride	371504	"NSC645803; SCHEMBL2923090; CHEMBL1978259; DTXSID50998529; NSC-645803; 1-nitro-9-(2-hydroxyethylamino)-acridine hydrochloride; N-(2-HYDROXYETHYL)-1-NITRO-9-ACRIDINEAMINE, HCL SALT; 2-[(1-Nitroacridin-9(10H)-ylidene)amino]ethan-1-ol--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645803	.	.	.	.	319.74	C15H14ClN3O3	91	374	.	22	3	5	3	"InChI=1S/C15H13N3O3.ClH/c19-9-8-16-15-10-4-1-2-5-11(10)17-12-6-3-7-13(14(12)15)18(20)21;/h1-7,19H,8-9H2,(H,16,17);1H"	C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCO.Cl	WGUCIXFYKBZJBZ-UHFFFAOYSA-N
DG54228	Antineoplastic-645804	371505	NSC645804; CHEMBL1974395; ANTINEOPLASTIC-645804; NSC-645804	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645804	.	.	.	.	388.9	C20H25ClN4O2	74	454	.	27	2	5	7	"InChI=1S/C20H24N4O2.ClH/c1-23(2)14-7-3-6-13-21-20-15-9-4-5-10-16(15)22-17-11-8-12-18(19(17)20)24(25)26;/h4-5,8-12H,3,6-7,13-14H2,1-2H3,(H,21,22);1H"	CN(C)CCCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl	SJNRPUAPZIOMGM-UHFFFAOYSA-N
DG54229	"9-Acridinamine, dihydrochloride"	371506	"NSC645805; 9-Acridinamine, dihydrochloride; CHEMBL1999501; ANTINEOPLASTIC-645805; NSC-645805; 1, N-methyl-N'-(1-nitro-9-acridinyl)-,dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645805	.	.	.	.	346.8	C17H19ClN4O2	82.8	401	.	24	3	5	5	"InChI=1S/C17H18N4O2.ClH/c1-18-10-5-11-19-17-12-6-2-3-7-13(12)20-14-8-4-9-15(16(14)17)21(22)23;/h2-4,6-9,18H,5,10-11H2,1H3,(H,19,20);1H"	CNCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl	NCPACVQCQSZHJP-UHFFFAOYSA-N
DG54230	Antineoplastic-645806	371507	NSC645806; CHEMBL1987702; ANTINEOPLASTIC-645806; NSC-645806	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645806	.	.	.	.	406.9	C19H23ClN4O4	114	469	.	28	4	7	8	"InChI=1S/C19H22N4O4.ClH/c24-12-10-22(11-13-25)9-8-20-19-14-4-1-2-5-15(14)21-16-6-3-7-17(18(16)19)23(26)27;/h1-7,24-25H,8-13H2,(H,20,21);1H"	C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCN(CCO)CCO.Cl	NKRPYVUCGATPEE-UHFFFAOYSA-N
DG54231	Antineoplastic-645807	371508	NSC645807; CHEMBL2001052; ANTINEOPLASTIC-645807; NSC-645807	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645807	.	.	.	.	374.9	C19H23ClN4O2	74	438	.	26	2	5	6	"InChI=1S/C19H22N4O2.ClH/c1-3-22(4-2)13-12-20-19-14-8-5-6-9-15(14)21-16-10-7-11-17(18(16)19)23(24)25;/h5-11H,3-4,12-13H2,1-2H3,(H,20,21);1H"	CCN(CC)CCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl	LOSSLHWHHZXNCI-UHFFFAOYSA-N
DG54232	NSC645808	371509	"10-[2-(Dimethylamino)ethylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride; MLS002701556; SMR001565157; NSC-645808; NSC645808; cid_371509; CHEMBL1709562; BDBM83846; 5-(2-(dimethylamino)ethylamino)-8-hydroxy-6H-imidazo[4,5,1-de]acridin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645808	.	.	.	.	358.8	C18H19ClN4O2	70.4	486	.	25	3	5	4	"InChI=1S/C18H18N4O2.ClH/c1-21(2)8-7-19-13-4-5-14-17-16(13)18(24)12-9-11(23)3-6-15(12)22(17)10-20-14;/h3-6,9-10,19,23H,7-8H2,1-2H3;1H"	CN(C)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O.Cl	NXTYWYBBZCKFPD-UHFFFAOYSA-N
DG54233	NSC645832	371513	"10-[2-(2-Hydroxyethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;hydrochloride; NSC645832; CHEMBL2002005; NSC-645832"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645832	.	.	.	.	358.8	C18H19ClN4O2	79.2	460	.	25	4	5	6	"InChI=1S/C18H18N4O2.ClH/c23-10-9-19-7-8-20-13-5-6-14-17-16(13)18(24)12-3-1-2-4-15(12)22(17)11-21-14;/h1-6,11,19-20,23H,7-10H2;1H"	C1=CC=C2C(=C1)C(=O)C3=C(C=CC4=C3N2C=N4)NCCNCCO.Cl	XEEBLIGGMWBKJJ-UHFFFAOYSA-N
DG54234	"5-Pyrimidinecaboxamide,2,3,4-tetrahydro-4-hydroxy-1,3-dimethyl-N-(4-nitrophenyl)-6-oxo-2-thioxo-"	371516	"NSC645838; Neuro_000348; CHEMBL1986935; ZINC5812048; NSC-645838; NCI60_015727; 5-Pyrimidinecaboxamide,2,3,4-tetrahydro-4-hydroxy-1,3-dimethyl- N-(4-nitrophenyl)-6-oxo-2-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645838	.	.	.	.	336.33	C13H12N4O5S	151	592	1.3	23	2	6	2	"InChI=1S/C13H12N4O5S/c1-15-11(19)9(12(20)16(2)13(15)23)10(18)14-7-3-5-8(6-4-7)17(21)22/h3-6,19H,1-2H3,(H,14,18)"	CN1C(=C(C(=O)N(C1=S)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])O	JHCMQNWSXOHQDS-UHFFFAOYSA-N
DG54235	NSC645876	371547	"Methyl 4-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]-2-[2-(3,5-diphenyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-3,4-dioxobutanoate; NSC645876; CHEMBL1998843; NSC-645876; Methyl 4-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]-2-[2-(3,5-diphenyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-3,4-dioxobutanoate; NCI60_015758; methyl 4-[(3-chloro-1,4-dioxo-2-naphthyl)amino]-2-[2-(3,5-diphenylpyrazol-1-yl)thiazol-4-yl]-3,4-dioxo-butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645876	.	.	.	.	637.1	C33H21ClN4O6S	166	1220	6	45	1	9	9	"InChI=1S/C33H21ClN4O6S/c1-44-32(43)25(30(41)31(42)36-27-26(34)28(39)20-14-8-9-15-21(20)29(27)40)23-17-45-33(35-23)38-24(19-12-6-3-7-13-19)16-22(37-38)18-10-4-2-5-11-18/h2-17,25H,1H3,(H,36,42)"	COC(=O)C(C1=CSC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(=O)NC5=C(C(=O)C6=CC=CC=C6C5=O)Cl	CMOZJHRSCJTGLV-UHFFFAOYSA-N
DG54236	"N-(2-Chloro-5-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-(4-pyridinyl)butanamide"	371548	"NSC645877; CHEMBL1985260; NSC-645877; N-(2-Chloro-5-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-(4-pyridinyl)butanamide; NCI60_015759; N-(2-chloro-5-methyl-phenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)-4-(4-pyridyl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645877	.	.	.	.	448.9	C24H17ClN2O5	102	753	3.6	32	1	6	6	"InChI=1S/C24H17ClN2O5/c1-13-6-7-17(25)18(12-13)27-23(30)21(29)19(20(28)14-8-10-26-11-9-14)22-15-4-2-3-5-16(15)24(31)32-22/h2-12,19,22H,1H3,(H,27,30)"	CC1=CC(=C(C=C1)Cl)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=NC=C4	UJIZTXYLKSOPLS-UHFFFAOYSA-N
DG54237	"Naphtho[2,3-f]quinoxaline-7,12-dione, 3-hydroxy-2-methyl-"	371563	"NSC645892; CHEMBL1967504; Naphtho[2,3-f]quinoxaline-7,12-dione, 3-hydroxy-2-methyl-; ZINC16957978; NSC-645892; NCI60_015774; Naphtho[2,12-dione, 3-hydroxy-2-methyl-; 3-hydroxy-2-methyl-naphtho[3,2-f]quinoxaline-7,12-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645892	.	.	.	.	290.27	C17H10N2O3	75.6	583	1.6	22	1	4	0	"InChI=1S/C17H10N2O3/c1-8-17(22)19-12-7-6-11-13(14(12)18-8)16(21)10-5-3-2-4-9(10)15(11)20/h2-7H,1H3,(H,19,22)"	CC1=NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC1=O	CHJRTDIKLLMQPI-UHFFFAOYSA-N
DG54238	"2,3-Dibromoimidazo[1,2-c]quinazoline"	371576	"2,3-Dibromoimidazo[1,2-c]quinazoline; NSC645911; CHEMBL1983764; SDWIJRJJTZRXLT-UHFFFAOYSA-; ZINC1629840; NSC-645911; NCI60_015786"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645911	.	.	.	.	326.97	C10H5Br2N3	30.2	251	4.5	15	0	2	0	InChI=1S/C10H5Br2N3/c11-8-9(12)15-5-13-7-4-2-1-3-6(7)10(15)14-8/h1-5H	C1=CC=C2C(=C1)C3=NC(=C(N3C=N2)Br)Br	SDWIJRJJTZRXLT-UHFFFAOYSA-N
DG54239	"3-Phenyl-6-(trifluoromethyl)-N~2~-(3,4,5-trimethoxybenzyl)-2,8-quinoxalinediamine"	371581	"NSC645931; CHEMBL2003147; NSC-645931; NCI60_015791; 3-Phenyl-6-(trifluoromethyl)-N~2~-(3,4,5-trimethoxybenzyl)-2,8-quinoxalinediamine; 3-phenyl-6-(trifluoromethyl)-N2-[(3,4,5-trimethoxyphenyl)methyl]quinoxaline-2,8-diamine; N-(3,4,5-Trimethoxybenzyl)-3-phenyl-6-(trifluoromethyl)quinoxaline-2,8-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645931	.	.	.	.	484.5	C25H23F3N4O3	91.5	652	4.8	35	2	10	7	"InChI=1S/C25H23F3N4O3/c1-33-19-9-14(10-20(34-2)23(19)35-3)13-30-24-21(15-7-5-4-6-8-15)31-18-12-16(25(26,27)28)11-17(29)22(18)32-24/h4-12H,13,29H2,1-3H3,(H,30,32)"	COC1=CC(=CC(=C1OC)OC)CNC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N	YVZHDTCNPFPGSC-UHFFFAOYSA-N
DG54240	"Carbamic acid,9-dichloro-2,8-dioxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl)-, 1,1-dimethylethyl ester"	371584	"NSC645976; CHEMBL1993319; ZINC5714492; NSC-645976; NCI60_015793; Carbamic acid,9-dichloro-2,8-dioxo-1-oxaspiro[4.5]deca- 6,9-dien-3-yl)-, 1,1-dimethylethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645976	.	.	.	.	348.2	C14H15Cl2NO5	81.7	581	3	22	1	5	3	"InChI=1S/C14H15Cl2NO5/c1-13(2,3)22-12(20)17-9-6-14(21-11(9)19)4-7(15)10(18)8(16)5-14/h4-5,9H,6H2,1-3H3,(H,17,20)/t9-/m0/s1"	CC(C)(C)OC(=O)N[C@H]1CC2(C=C(C(=O)C(=C2)Cl)Cl)OC1=O	CBYOCXODWUSVKK-VIFPVBQESA-N
DG54241	"1-Oxaspiro[4.5]deca-6,9-diene-2,8-dione"	371586	"1-Oxaspiro[4.5]deca-6,9-diene-2,8-dione; NSC645978; 4-oxaspiro[4.5]deca-6,9-diene-3,8-dione; CHEMBL1974838; SCHEMBL20597935; ZINC1629846; 1-Oxaspiro[4,9-diene-2,8-dione; NSC701990; NSC-645978; NSC-701990; NCI60_036545; 1-Oxaspiro[4.5]decane-6,9-diene-2,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701990	.	.	.	.	164.16	C9H8O3	43.4	283	0.5	12	0	3	0	"InChI=1S/C9H8O3/c10-7-1-4-9(5-2-7)6-3-8(11)12-9/h1-2,4-5H,3,6H2"	C1CC2(C=CC(=O)C=C2)OC1=O	CIZAZAUFIRYVPV-UHFFFAOYSA-N
DG54242	"(3S)-3-(Benzyloxycarbonylamino)-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione"	371587	"NSC645979; UPCMLD00W3025; UPCMLD00WHXIV5:001; UPCMLD00WHXIV5:002; CHEMBL1977912; NSC-645979; NCI60_015795; (3S)-3-(Benzyloxycarbonylamino)-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645979	.	.	.	.	313.3	C17H15NO5	81.7	543	1.8	23	1	5	4	"InChI=1S/C17H15NO5/c19-13-6-8-17(9-7-13)10-14(15(20)23-17)18-16(21)22-11-12-4-2-1-3-5-12/h1-9,14H,10-11H2,(H,18,21)/t14-/m0/s1"	C1[C@@H](C(=O)OC12C=CC(=O)C=C2)NC(=O)OCC3=CC=CC=C3	PGKQZJADGOPNLL-AWEZNQCLSA-N
DG54243	"benzyl N-[(3S)-7,9-diiodo-2,8-dioxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]carbamate"	371588	NSC645980; CHEMBL1992068; NSC-645980; NCI60_015796	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645980	.	.	.	.	565.1	C17H13I2NO5	81.7	629	3.1	25	1	5	4	"InChI=1S/C17H13I2NO5/c18-11-6-17(7-12(19)14(11)21)8-13(15(22)25-17)20-16(23)24-9-10-4-2-1-3-5-10/h1-7,13H,8-9H2,(H,20,23)/t13-/m0/s1"	C1[C@@H](C(=O)OC12C=C(C(=O)C(=C2)I)I)NC(=O)OCC3=CC=CC=C3	FKGWYTIXJDFNSX-ZDUSSCGKSA-N
DG54244	Imino-bis(2-nitrophenyl)-$l^{4}-sulfane	371591	NSC645984; NSC646700; SCHEMBL5582362; CHEMBL2006822; ZINC5812103; NSC-645984; NCI60_015798; NCI60_016113; imino-bis(2-nitrophenyl)-$l^{4}-sulfane; Hydroxy(2-((2-(hydroxy(oxido)amino)phenyl)sulfinimidoyl)phenyl)azane oxide hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645984	.	.	.	.	291.28	C12H9N3O4S	135	371	4.7	20	1	6	2	"InChI=1S/C12H9N3O4S/c13-20(11-7-3-1-5-9(11)14(16)17)12-8-4-2-6-10(12)15(18)19/h1-8,13H"	C1=CC=C(C(=C1)[N+](=O)[O-])S(=N)C2=CC=CC=C2[N+](=O)[O-]	TZLICMVQPAOMDK-UHFFFAOYSA-N
DG54245	"2,5-Di(pyrazol-1-yl)benzene-1,4-diol"	371593	"NSC645987; MLS000756826; 2,5-di(pyrazol-1-yl)benzene-1,4-diol; SMR000529087; 2,5-Di(1H-pyrazol-1-yl)-1,4-benzenediol; NCIMech_000440; cid_371593; 1, 2,5-bis(1-pyrazolyl)-; CHEMBL1378223; SCHEMBL16879974; BDBM81112; HMS2886E07; 2,5-di(pyrazol-1-yl)hydroquinone; ZINC1629851; CCG-35993; NSC-645987; 2,5-Bis(1H-pyrazol-1-yl)hydroquinone; 2,5-bis(1-pyrazolyl)benzene-1,4-diol; NCI60_015800; 1,4-dihydroxy-2,5-bis(pyrazol-1-yl)benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645987	.	.	.	.	242.23	C12H10N4O2	76.1	263	1.2	18	2	4	2	"InChI=1S/C12H10N4O2/c17-11-8-10(16-6-2-4-14-16)12(18)7-9(11)15-5-1-3-13-15/h1-8,17-18H"	C1=CN(N=C1)C2=CC(=C(C=C2O)N3C=CC=N3)O	NEKFXNXCGBONEV-UHFFFAOYSA-N
DG54246	Brialmontin 1	371612	NSC646005; Brialmontin 1; CHEMBL1993729; NSC-646005; NCI60_015818	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646005	.	.	.	.	372.5	C22H28O5	54	495	5.4	27	0	5	6	"InChI=1S/C22H28O5/c1-11-10-17(24-7)15(5)20(12(11)2)27-22(23)18-13(3)14(4)19(25-8)16(6)21(18)26-9/h10H,1-9H3"	CC1=CC(=C(C(=C1C)OC(=O)C2=C(C(=C(C(=C2C)C)OC)C)OC)C)OC	RTPOSGIWSAXENH-UHFFFAOYSA-N
DG54247	"2-[2-[(2-Methyltriazolo[4,5-f]quinolin-9-yl)amino]ethylamino]ethanol"	371632	"NSC646033; CHEMBL1973670; 2-[2-[(2-methyltriazolo[4,5-f]quinolin-9-yl)amino]ethylamino]ethanol; NSC-646033; Ethanol, 2-[[2-[(2-methyl-2H-1,2,3-triazolo[4,5-f]quinolin-9-yl)amino]ethyl]amino]-; NCI60_015841; 2-Methyl-9-[[2-[(2-hydroxyethyl)amino]ethyl]amino]-2H-1,2,3-triazolo[4,5-f]quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646033	.	.	.	.	286.33	C14H18N6O	87.9	331	0.8	21	3	6	6	"InChI=1S/C14H18N6O/c1-20-18-12-3-2-10-13(14(12)19-20)11(4-5-16-10)17-7-6-15-8-9-21/h2-5,15,21H,6-9H2,1H3,(H,16,17)"	CN1N=C2C=CC3=NC=CC(=C3C2=N1)NCCNCCO	KVVWVJGBVICQAT-UHFFFAOYSA-N
DG54248	"N-(4-(4-Ethyl-1-piperazinyl)phenyl)-2-methyl-2H-[1,2,3]triazolo[4,5-f]quinolin-9-amine"	371633	"NSC646034; CHEMBL1980852; NSC-646034; N-(4-(4-Ethyl-1-piperazinyl)phenyl)-2-methyl-2H-[1,2,3]triazolo[4,5-f]quinolin-9-amine; NCI60_015842; N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methyl-triazolo[4,5-f]quinolin-9-amine; N-(4-(4-Ethyl-1-piperazinyl)phenyl)-N-(2-methyl-2H-[1,2,3]triazolo[4,5-f]quinolin-9-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646034	.	.	.	.	387.5	C22H25N7	62.1	529	3.8	29	1	6	4	"InChI=1S/C22H25N7/c1-3-28-12-14-29(15-13-28)17-6-4-16(5-7-17)24-19-10-11-23-18-8-9-20-22(21(18)19)26-27(2)25-20/h4-11H,3,12-15H2,1-2H3,(H,23,24)"	CCN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C(=NC=C3)C=CC5=NN(N=C54)C	LJZKRWIGXALBSZ-UHFFFAOYSA-N
DG54249	"2,6-Dinitro-4-methylphenyl phenyl sulfone"	371684	"NSC646122; NSC-646122; 2,6-Dinitro-4-methylphenyl phenyl sulfone; 4Me2,6-diNO2Ph-SO2-Ph; CHEMBL1991705; NCI60_015873; 2-(benzenesulfonyl)-5-methyl-1,3-dinitro-benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646122	.	.	.	.	322.3	C13H10N2O6S	134	502	2.7	22	0	6	2	"InChI=1S/C13H10N2O6S/c1-9-7-11(14(16)17)13(12(8-9)15(18)19)22(20,21)10-5-3-2-4-6-10/h2-8H,1H3"	CC1=CC(=C(C(=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]	USGVKCGDCYHOQZ-UHFFFAOYSA-N
DG54250	3-Nitro-2-(phenylsulfonyl)pyridine	371687	"3-nitro-2-(phenylsulfonyl)pyridine; 188429-02-9; 2-(benzenesulfonyl)-3-nitropyridine; 3-Nitro-2-pyridyl phenyl sulfone; NSC646125; PYRIDINE, 3-NITRO-2-(PHENYLSULFONYL)-; MLS001166178; SMR000550054; 2-(benzenesulfonyl)-3-nitro-pyridine; 2-besyl-3-nitro-pyridine; 3NO2-2Pyrid-SO2-Ph; cid_371687; CHEMBL1520276; SCHEMBL18497242; BDBM54427; DTXSID00327320; ZINC1406482; AKOS005083557; MCULE-6126471463; NSC-646125; NCI60_015876; 1R-0620; 3-(Hydroxy(oxido)amino)-2-(phenylsulfonyl)pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646125	.	.	.	.	264.26	C11H8N2O4S	101	392	1.8	18	0	5	2	"InChI=1S/C11H8N2O4S/c14-13(15)10-7-4-8-12-11(10)18(16,17)9-5-2-1-3-6-9/h1-8H"	C1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=N2)[N+](=O)[O-]	QBXNQOWQGUPAEO-UHFFFAOYSA-N
DG54251	"2,5,9,11-Tetramethyl-2,6-dihydro-1H-pyrido[4,3-b]carbazole"	371688	"NSC646127; CHEMBL68611; SCHEMBL9129710; ZINC53257861; NSC-646127; NCI60_015877; 6H-Pyrido[4, 1,2-dihydro-2,5,9,11-tetra- methyl-; 2,5,9,11-Tetramethyl-2,6-dihydro-1H-pyrido[4,3-b]carbazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646127	.	.	.	.	276.4	C19H20N2	19	431	4.7	21	1	1	0	"InChI=1S/C19H20N2/c1-11-5-6-17-15(9-11)18-12(2)16-10-21(4)8-7-14(16)13(3)19(18)20-17/h5-9,20H,10H2,1-4H3"	CC1=CC2=C(C=C1)NC3=C2C(=C4CN(C=CC4=C3C)C)C	LOCXAALEVBWMBX-UHFFFAOYSA-N
DG54252	3-(Trityloxy)-1-propanol	371701	3-(Trityloxy)-1-propanol; NSC646151; 3-trityloxypropan-1-ol; 3-trityloxy-propanol; 3-trityloxy-1-propanol; SCHEMBL2489713; CHEMBL2003505; ZINC5812260; NSC-646151; NCI60_015887	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646151	.	.	.	.	318.4	C22H22O2	29.5	290	4.4	24	1	2	7	"InChI=1S/C22H22O2/c23-17-10-18-24-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,23H,10,17-18H2"	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCCO	YCTXPSAULMVEOX-UHFFFAOYSA-N
DG54253	N-Hydroxy-N-methylbenzenecarbothioamide	371711	NSC646159; MLS002702926; N-Hydroxy-N-methylbenzenecarbothioamide; 89861-45-0; N-Methyl-N-hydroxythiobenzamide; SCHEMBL8949752; CHEMBL1698281; DTXSID00327325; ZINC1629967; AKOS016036754; NSC-646159; N-hydroxy-N-methyl-benzenecarbothioamide; NCI60_015894; SMR001566741	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646159	.	.	.	.	167.23	C8H9NOS	55.6	143	1.5	11	1	2	1	"InChI=1S/C8H9NOS/c1-9(10)8(11)7-5-3-2-4-6-7/h2-6,10H,1H3"	CN(C(=S)C1=CC=CC=C1)O	YUPPELVWCBEYPQ-UHFFFAOYSA-N
DG54254	"Benzenecarbothioamide, N-hydroxy-N-(phenylmethyl)-"	371712	"NSC646160; Benzenecarbothioamide, N-hydroxy-N-(phenylmethyl)-; N-Benzyl-N-hydroxybenzenecarbothioamide; 95096-10-9; CHEMBL1977049; ODICBYUPKZRFOG-UHFFFAOYSA-; DTXSID60327326; NSC-646160; N-benzyl-N-hydroxy-benzenecarbothioamide; N-Benzyl-N-hydroxybenzenecarbothioamide #; NCI60_015895"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646160	.	.	.	.	243.33	C14H13NOS	55.6	245	3	17	1	2	3	"InChI=1S/C14H13NOS/c16-15(11-12-7-3-1-4-8-12)14(17)13-9-5-2-6-10-13/h1-10,16H,11H2"	C1=CC=C(C=C1)CN(C(=S)C2=CC=CC=C2)O	ODICBYUPKZRFOG-UHFFFAOYSA-N
DG54255	N-Hydroxy-N-methylpropanethioamide	371713	"N-Hydroxy-N-methylpropanethioamide; NSC646161; SCHEMBL8949824; CHEMBL1996257; N-Methylpropanehydroxamethioic acid; N-hydroxy-N-methyl-propanethioamide; ZINC1629969; Propanethioamide, N-hydroxy-N-methyl-; NSC-646161; 105183-86-6; NCI60_015896"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646161	.	.	.	.	119.19	C4H9NOS	55.6	74.1	0.3	7	1	2	1	"InChI=1S/C4H9NOS/c1-3-4(7)5(2)6/h6H,3H2,1-2H3"	CCC(=S)N(C)O	RUWZSNZMQDRXIR-UHFFFAOYSA-N
DG54256	"N-Hydroxy-N,2-dimethylpropanethioamide"	371714	"NSC646162; N-Hydroxy-N,2-dimethylpropanethioamide; N,2-dimethyl-N-hydroxy-1-propanethioamide; SCHEMBL8949812; CHEMBL1967880; NSC-646162; N-hydroxy-N,2-dimethyl-propanethioamide; 105183-87-7; NCI60_015897"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646162	.	.	.	.	133.21	C5H11NOS	55.6	92.4	0.9	8	1	2	1	"InChI=1S/C5H11NOS/c1-4(2)5(8)6(3)7/h4,7H,1-3H3"	CC(C)C(=S)N(C)O	XAVPCFLVHKSRGK-UHFFFAOYSA-N
DG54257	Ethyl 2-(1-ethoxy-2-(phenylseleno)propoxy)-1-cyclopentene-1-carboxylate	371747	NSC646190; Ethyl 2-(1-ethoxy-2-(phenylseleno)propoxy)-1-cyclopentene-1-carboxylate; CHEMBL2006463; NSC-646190; NCI60_015924; ethyl 2-(1-ethoxy-2-phenylselanyl-propoxy)cyclopentene-1-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646190	.	.	.	.	397.4	C19H26O4Se	44.8	429	.	24	0	4	10	"InChI=1S/C19H26O4Se/c1-4-21-18(20)16-12-9-13-17(16)23-19(22-5-2)14(3)24-15-10-7-6-8-11-15/h6-8,10-11,14,19H,4-5,9,12-13H2,1-3H3"	CCOC(C(C)[Se]C1=CC=CC=C1)OC2=C(CCC2)C(=O)OCC	RJECTXCWUJKPHL-UHFFFAOYSA-N
DG54258	Ethyl 2-(1-ethoxy-2-(phenylseleno)butoxy)-1-cyclopentene-1-carboxylate	371748	NSC646191; Ethyl 2-(1-ethoxy-2-(phenylseleno)butoxy)-1-cyclopentene-1-carboxylate; CHEMBL1993684; NSC-646191; NCI60_015925; ethyl 2-(1-ethoxy-2-phenylselanyl-butoxy)cyclopentene-1-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646191	.	.	.	.	411.4	C20H28O4Se	44.8	443	.	25	0	4	11	"InChI=1S/C20H28O4Se/c1-4-18(25-15-11-8-7-9-12-15)20(23-6-3)24-17-14-10-13-16(17)19(21)22-5-2/h7-9,11-12,18,20H,4-6,10,13-14H2,1-3H3"	CCC(C(OCC)OC1=C(CCC1)C(=O)OCC)[Se]C2=CC=CC=C2	KBRPDWXXSKNYHB-UHFFFAOYSA-N
DG54259	Ethyl 2-(1-ethoxy-3-methyl-2-(phenylseleno)butoxy)-1-cyclopentene-1-carboxylate	371749	NSC646192; Ethyl 2-(1-ethoxy-3-methyl-2-(phenylseleno)butoxy)-1-cyclopentene-1-carboxylate; CHEMBL1978278; NSC-646192; NCI60_015926; ethyl 2-(1-ethoxy-3-methyl-2-phenylselanyl-butoxy)cyclopentene-1-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646192	.	.	.	.	425.4	C21H30O4Se	44.8	469	.	26	0	4	11	"InChI=1S/C21H30O4Se/c1-5-23-20(22)17-13-10-14-18(17)25-21(24-6-2)19(15(3)4)26-16-11-8-7-9-12-16/h7-9,11-12,15,19,21H,5-6,10,13-14H2,1-4H3"	CCOC(C(C(C)C)[Se]C1=CC=CC=C1)OC2=C(CCC2)C(=O)OCC	UNUKZEKFTLZDDA-UHFFFAOYSA-N
DG54260	2-(1-Ethoxy-2-(phenylseleno)butoxy)-1-cyclopentene-1-carbonitrile	371750	NSC646193; 2-(1-Ethoxy-2-(phenylseleno)butoxy)-1-cyclopentene-1-carbonitrile; CHEMBL1991821; NSC-646193; NCI60_015927; 2-(1-ethoxy-2-phenylselanyl-butoxy)cyclopentene-1-carbonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646193	.	.	.	.	364.4	C18H23NO2Se	42.2	420	.	22	0	3	8	"InChI=1S/C18H23NO2Se/c1-3-17(22-15-10-6-5-7-11-15)18(20-4-2)21-16-12-8-9-14(16)13-19/h5-7,10-11,17-18H,3-4,8-9,12H2,1-2H3"	CCC(C(OCC)OC1=C(CCC1)C#N)[Se]C2=CC=CC=C2	KOIAZWOJLMZVJC-UHFFFAOYSA-N
DG54261	Ethyl 2-(1-ethoxy-2-(phenylseleno)butoxy)-1-cyclohexene-1-carboxylate	371752	NSC646195; Ethyl 2-(1-ethoxy-2-(phenylseleno)butoxy)-1-cyclohexene-1-carboxylate; CHEMBL1973018; NSC-646195; NCI60_015929; ethyl 2-(1-ethoxy-2-phenylselanyl-butoxy)cyclohexene-1-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646195	.	.	.	.	425.4	C21H30O4Se	44.8	457	.	26	0	4	11	"InChI=1S/C21H30O4Se/c1-4-19(26-16-12-8-7-9-13-16)21(24-6-3)25-18-15-11-10-14-17(18)20(22)23-5-2/h7-9,12-13,19,21H,4-6,10-11,14-15H2,1-3H3"	CCC(C(OCC)OC1=C(CCCC1)C(=O)OCC)[Se]C2=CC=CC=C2	HUESDWACWGOPAJ-UHFFFAOYSA-N
DG54262	Ethyl 2-oxo-1-(phenylseleno)cyclopentanecarboxylate	371755	NSC646198; Ethyl 2-oxo-1-(phenylseleno)cyclopentanecarboxylate; CHEMBL1974040; NSC-646198; NCI60_015932; ethyl 2-oxo-1-phenylselanyl-cyclopentanecarboxylate; 1-(Phenylseleno)-2-oxocyclopentane-1-carboxylic acid ethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646198	.	.	.	.	311.25	C14H16O3Se	43.4	323	.	18	0	3	5	"InChI=1S/C14H16O3Se/c1-2-17-13(16)14(10-6-9-12(14)15)18-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3"	CCOC(=O)C1(CCCC1=O)[Se]C2=CC=CC=C2	RMSARSBSDZTIQU-UHFFFAOYSA-N
DG54263	((1-(Diethoxymethyl)propyl)seleno)benzene	371756	NSC646199; ((1-(Diethoxymethyl)propyl)seleno)benzene; CHEMBL1992405; 1-(diethoxymethyl)propylselanylbenzene; NSC-646199; NCI60_015933	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646199	.	.	.	.	301.29	C14H22O2Se	18.5	175	.	17	0	2	8	"InChI=1S/C14H22O2Se/c1-4-13(14(15-5-2)16-6-3)17-12-10-8-7-9-11-12/h7-11,13-14H,4-6H2,1-3H3"	CCC(C(OCC)OCC)[Se]C1=CC=CC=C1	GLSPLBKTSFKIMR-UHFFFAOYSA-N
DG54264	1-[1-(Diethoxymethyl)propylselanyl]-2-nitro-benzene	371757	NSC646200; CHEMBL1979524; NSC-646200; NCI60_015934; 1-[1-(diethoxymethyl)propylselanyl]-2-nitro-benzene; (2-((1-(Diethoxymethyl)propyl)seleno)phenyl)(hydroxy)azane oxide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646200	.	.	.	.	346.29	C14H21NO4Se	64.3	279	.	20	0	4	8	"InChI=1S/C14H21NO4Se/c1-4-12(14(18-5-2)19-6-3)20-13-10-8-7-9-11(13)15(16)17/h7-10,12,14H,4-6H2,1-3H3"	CCC(C(OCC)OCC)[Se]C1=CC=CC=C1[N+](=O)[O-]	KTHWBZRYNKIWOQ-UHFFFAOYSA-N
DG54265	"2-Bromo-1,1,1-triethoxybutane"	371776	"NSC646220; 2-Bromo-1,1,1-triethoxybutane; CHEMBL1999537; 2-bromo-1,1,1-triethoxy-butane; NSC-646220; NCI60_015952"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646220	.	.	.	.	269.18	C10H21BrO3	27.7	124	2.7	14	0	3	8	"InChI=1S/C10H21BrO3/c1-5-9(11)10(12-6-2,13-7-3)14-8-4/h9H,5-8H2,1-4H3"	CCC(C(OCC)(OCC)OCC)Br	SYCWKBWBOFFPRX-UHFFFAOYSA-N
DG54266	"Cyanic acid, 4-(1-methyl-1-phenylethyl)phenyl ester"	371796	"110215-65-1; Cyanic acid, 4-(1-methyl-1-phenylethyl)phenyl ester; NSC646240; [4-(2-phenylpropan-2-yl)phenyl] cyanate; 4-Cumylphenol cyanate ester; 4-cumylphenyl cyanate; 4-(1-Methyl-1-phenylethyl)phenyl cyanate; SCHEMBL2410068; CHEMBL2004413; DTXSID50327335; ZINC1630060; NSC-646240; NCI60_015970; 4-(alpha,alpha-Dimethylbenzyl)phenyl cyanate; [4-(1-methyl-1-phenyl-ethyl)phenyl] cyanate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646240	.	.	.	.	237.3	C16H15NO	33	300	4.7	18	0	2	3	"InChI=1S/C16H15NO/c1-16(2,13-6-4-3-5-7-13)14-8-10-15(11-9-14)18-12-17/h3-11H,1-2H3"	CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC#N	SUXGZGQKIFLKOR-UHFFFAOYSA-N
DG54267	4-(4-alpha-Cumylphenoxy)phthalonitrile	371798	"4-(4-alpha-Cumylphenoxy)phthalonitrile; 83482-57-9; NSC646243; 4-[4-(2-phenylpropan-2-yl)phenoxy]benzene-1,2-dicarbonitrile; 4-(4-(2-Phenylpropan-2-yl)phenoxy)phthalonitrile; MFCD00059048; 4-(4-Cumylphenoxy)phthalonitrile; SCHEMBL1501411; CHEMBL1989376; ZINC56908; DTXSID10327336; 4-(p-cumylphenoxy) phthalonitrile; AKOS015838410; MCULE-8453554593; NSC-646243; 4-(4-Cumylphenoxy)phthalonitrile, 97%; 4-[p-(alpha-Cumyl)phenoxy]phthalonitrile; NCI60_015973; FT-0708587; T71372; 2-[4-(3,4-Dicyanophenoxy)phenyl]-2-phenylpropane; 4-(4-(1-Methyl-1-phenylethyl)phenoxy)phthalonitrile; 4-[4-(1-methyl-1-phenyl-ethyl)phenoxy]phthalonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646243	.	.	.	.	338.4	C23H18N2O	56.8	551	5.7	26	0	3	4	"InChI=1S/C23H18N2O/c1-23(2,19-6-4-3-5-7-19)20-9-12-21(13-10-20)26-22-11-8-17(15-24)18(14-22)16-25/h3-14H,1-2H3"	CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3=CC(=C(C=C3)C#N)C#N	IANCXVAWMHHHKK-UHFFFAOYSA-N
DG54268	"4-(4-(1-(4-(3,4-Dicyanophenoxy)phenyl)-1-methylethyl)phenoxy)phthalonitrile"	371799	"NSC646244; 4-(4-(1-(4-(3,4-Dicyanophenoxy)phenyl)-1-methylethyl)phenoxy)phthalonitrile; 4-(4-{1-[4-(3,4-dicyanophenoxy)phenyl]-1-methylethyl}phenoxy)phthalonitrile; Oprea1_594890; Oprea1_809451; SCHEMBL1373841; CHEMBL1992807; ZINC1630062; AKOS024274268; MCULE-7445678198; NSC-646244; NCI60_015974; 2,2-bis[4-(3,4-dicyanophenoxy)phenyl]propane; 2,2-bis[4-(3,4-dicyanophenoxy)phenyl] propane; 4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalonitrile; 4-[4-[1-[4-(3,4-dicyanophenoxy)phenyl]-1-methyl-ethyl]phenoxy]phthalonitrile; 38791-67-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646244	.	.	.	.	480.5	C31H20N4O2	114	892	6.7	37	0	6	6	"InChI=1S/C31H20N4O2/c1-31(2,25-5-11-27(12-6-25)36-29-9-3-21(17-32)23(15-29)19-34)26-7-13-28(14-8-26)37-30-10-4-22(18-33)24(16-30)20-35/h3-16H,1-2H3"	CC(C)(C1=CC=C(C=C1)OC2=CC(=C(C=C2)C#N)C#N)C3=CC=C(C=C3)OC4=CC(=C(C=C4)C#N)C#N	JHYUOAPCMWCEND-UHFFFAOYSA-N
DG54269	"4-(2,4-Di-tert-butylphenoxy)phthalonitrile"	371803	"NSC646248; 4-(2,4-Di-tert-butylphenoxy)phthalonitrile; CHEMBL1967449; DTXSID90327339; NSC-646248; 875885-47-5; NCI60_015978; 4-(2,4-ditert-butylphenoxy)phthalonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646248	.	.	.	.	332.4	C22H24N2O	56.8	550	6.2	25	0	3	4	"InChI=1S/C22H24N2O/c1-21(2,3)17-8-10-20(19(12-17)22(4,5)6)25-18-9-7-15(13-23)16(11-18)14-24/h7-12H,1-6H3"	CC(C)(C)C1=CC(=C(C=C1)OC2=CC(=C(C=C2)C#N)C#N)C(C)(C)C	XJTCSBKFETZBSJ-UHFFFAOYSA-N
DG54270	4-(3-Phenoxyphenoxy)phthalonitrile	371804	NSC646249; 4-(3-Phenoxyphenoxy)phthalonitrile; SCHEMBL5143806; CHEMBL1992524; NSC-646249; NCI60_015979	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646249	.	.	.	.	312.3	C20H12N2O2	66	496	4.4	24	0	4	4	InChI=1S/C20H12N2O2/c21-13-15-9-10-20(11-16(15)14-22)24-19-8-4-7-18(12-19)23-17-5-2-1-3-6-17/h1-12H	C1=CC=C(C=C1)OC2=CC(=CC=C2)OC3=CC(=C(C=C3)C#N)C#N	UDRBBLYLQBOFSK-UHFFFAOYSA-N
DG54271	"8-Chloro-6-nitro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine"	371811	"NSC646277; CHEMBL1987438; SCHEMBL11067143; 8-chloro-6-nitro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine; ZINC5812378; NSC-646277; NCI60_015986; 1,4-Triazolo[4,3-a]pyrazin-5-amine, 8-chloro-6-nitro-; 8-chloro-6-nitro-1,2,4-triazolo[4,3-a]pyrazine-5-amine; {1,2,4-Triazolo[4,3-a]pyrazin-5-amine,} 8-chloro-6-nitro-; 5-Amino-8-chloro-6-(hydroxy(oxido)amino)[1,2,4]triazolo[4,3-a]pyrazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646277	.	.	.	.	214.57	C5H3ClN6O2	115	247	1.4	14	1	6	0	"InChI=1S/C5H3ClN6O2/c6-2-4-10-8-1-11(4)3(7)5(9-2)12(13)14/h1H,7H2"	C1=NN=C2N1C(=C(N=C2Cl)[N+](=O)[O-])N	ZFLXGYCPGIXCRA-UHFFFAOYSA-N
DG54272	"6-Methylpyrido[3',4':4,5]thieno[2,3-g]isoquinoline"	371812	"NSC646278; 6-Methylpyrido[3',4':4,5]thieno[2,3-g]isoquinoline; CHEMBL2000383; NSC-646278; NCI60_015987; Pyrido[3',5]thieno[2,3-g]isoquinoline, 6-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646278	.	.	.	.	250.32	C15H10N2S	54	322	3.8	18	0	3	0	"InChI=1S/C15H10N2S/c1-9-11-2-4-16-7-10(11)6-12-13-8-17-5-3-14(13)18-15(9)12/h2-8H,1H3"	CC1=C2C=CN=CC2=CC3=C1SC4=C3C=NC=C4	PLSOBUFESKZPQJ-UHFFFAOYSA-N
DG54273	7-Amino-3-methyl-2-quinoxalinol	371851	7-Amino-3-methyl-2-quinoxalinol; 69904-08-1; NSC646371; 7-Amino-3-methylquinoxalin-2-ol; 7-amino-3-methyl-1H-quinoxalin-2-one; CHEMBL1996743; DTXSID20327342; 7-amino-3-methyl-quinoxalin-2-ol; ZINC16958012; NSC-646371; NCI60_016036	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646371	.	.	.	.	175.19	C9H9N3O	67.5	262	0	13	2	3	0	"InChI=1S/C9H9N3O/c1-5-9(13)12-8-4-6(10)2-3-7(8)11-5/h2-4H,10H2,1H3,(H,12,13)"	CC1=NC2=C(C=C(C=C2)N)NC1=O	DFHAAEQYIMWJIZ-UHFFFAOYSA-N
DG54274	NSC646374	371854	"N-(3-(2,4-Diethyl-3-((3-(3-methyl-2-quinoxalinyl)-2-oxopropanoyl)amino)benzyl)-2,6-diethylphenyl)-3-(3-methyl-2-quinoxalinyl)-2-oxopropanamide; NSC646374; CHEMBL1972395; NSC-646374; NCI60_016039; N-(3-(2,4-Diethyl-3-((3-(3-methyl-2-quinoxalinyl)-2-oxopropanoyl)amino)benzyl)-2,6-diethylphenyl)-3-(3-methyl-2-quinoxalinyl)-2-oxopropanamide; N-[3-[[2,4-diethyl-3-[[3-(3-methylquinoxalin-2-yl)-2-oxo-propanoyl]amino]phenyl]methyl]-2,6-diethyl-phenyl]-3-(3-methylquinoxalin-2-yl)-2-oxo-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646374	.	.	.	.	734.9	C45H46N6O4	144	1220	7.8	55	2	8	14	"InChI=1S/C45H46N6O4/c1-7-28-19-21-30(32(9-3)42(28)50-44(54)40(52)24-38-26(5)46-34-15-11-13-17-36(34)48-38)23-31-22-20-29(8-2)43(33(31)10-4)51-45(55)41(53)25-39-27(6)47-35-16-12-14-18-37(35)49-39/h11-22H,7-10,23-25H2,1-6H3,(H,50,54)(H,51,55)"	CCC1=C(C(=C(C=C1)CC2=C(C(=C(C=C2)CC)NC(=O)C(=O)CC3=NC4=CC=CC=C4N=C3C)CC)CC)NC(=O)C(=O)CC5=NC6=CC=CC=C6N=C5C	CDFXIWZFKASQKK-UHFFFAOYSA-N
DG54275	4-Oxo-N-(6-(((4-oxo-4H-chromen-2-yl)carbonyl)amino)-2-pyridinyl)-4H-chromene-2-carboxamide	371859	NSC646379; CHEMBL1981128; ZINC13000660; NSC-646379; 4-Oxo-N-(6-(((4-oxo-4H-chromen-2-yl)carbonyl)amino)-2-pyridinyl)-4H-chromene-2-carboxamide; NCI60_016044; 4-oxo-N-[6-[(4-oxochromene-2-carbonyl)amino]-2-pyridyl]chromene-2-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646379	.	.	.	.	453.4	C25H15N3O6	124	856	2.9	34	2	7	4	"InChI=1S/C25H15N3O6/c29-16-12-20(33-18-8-3-1-6-14(16)18)24(31)27-22-10-5-11-23(26-22)28-25(32)21-13-17(30)15-7-2-4-9-19(15)34-21/h1-13H,(H2,26,27,28,31,32)"	C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=NC(=CC=C3)NC(=O)C4=CC(=O)C5=CC=CC=C5O4	OUUIOHXMIGYVFF-UHFFFAOYSA-N
DG54276	"2-N',2-N',6-N',6-N',11-pentaethylspiro[chromeno[4,3-b]indole-6,9'-xanthene]-2',6'-diamine"	371885	"NSC646468; CHEMBL1988125; SCHEMBL13514881; NSC-646468; NCI60_016065; N2',N2',N6',N6',11-pentaethylspiro[chromeno[4,3-b]indole-6,9'-xanthene]-2',6'-diamine; Spiro[1-benzopyrano[4,3-b]indole-6(11H),9'-[9H]xanthene]-2',6'-diamine, N,N,N',N',11-pentaethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646468	.	.	.	.	557.7	C37H39N3O2	29.9	907	8	42	0	4	7	"InChI=1S/C37H39N3O2/c1-6-38(7-2)25-20-22-33-30(23-25)37(29-21-19-26(24-34(29)41-33)39(8-3)9-4)35-27-15-11-13-17-31(27)40(10-5)36(35)28-16-12-14-18-32(28)42-37/h11-24H,6-10H2,1-5H3"	CCN1C2=CC=CC=C2C3=C1C4=CC=CC=C4OC35C6=C(C=C(C=C6)N(CC)CC)OC7=C5C=C(C=C7)N(CC)CC	WEYKBOLXDAIZLE-UHFFFAOYSA-N
DG54277	"8-methoxy-1,3-diphenyl-4,9b-dihydro-3aH-chromeno[4,3-c]pyrazole"	371908	"NSC646492; CHEMBL1968688; 8-Methoxy-1,3-diphenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole; 8-methoxy-1,3-diphenyl-4,9b-dihydro-3aH-chromeno[4,3-c]pyrazole; 1,3-Diphenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazol-8-yl methyl ether; NSC-646492; NCI60_016080"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646492	.	.	.	.	356.4	C23H20N2O2	34.1	539	4.8	27	0	4	3	"InChI=1S/C23H20N2O2/c1-26-18-12-13-21-19(14-18)23-20(15-27-21)22(16-8-4-2-5-9-16)24-25(23)17-10-6-3-7-11-17/h2-14,20,23H,15H2,1H3"	COC1=CC2=C(C=C1)OCC3C2N(N=C3C4=CC=CC=C4)C5=CC=CC=C5	GEVHBTFEMMAPPF-UHFFFAOYSA-N
DG54278	"1,4-Bis(4-methylbenzoyl)-1,2,3,4-tetrahydroquinoxaline"	371920	"NSC646504; 1,4-Bis(4-methylbenzoyl)-1,2,3,4-tetrahydroquinoxaline; CHEMBL1969270; ZINC1630138; NSC-646504; NCI60_016092; [4-(4-methylbenzoyl)-2,3-dihydroquinoxalin-1-yl]-(p-tolyl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646504	.	.	.	.	370.4	C24H22N2O2	40.6	511	4.5	28	0	2	2	"InChI=1S/C24H22N2O2/c1-17-7-11-19(12-8-17)23(27)25-15-16-26(22-6-4-3-5-21(22)25)24(28)20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3"	CC1=CC=C(C=C1)C(=O)N2CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)C	GZDWVOAMWISEQR-UHFFFAOYSA-N
DG54279	"6-Azido-5-chloro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione"	371924	NSC646575; NSC-646575; NCI60_016096	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646575	.	.	.	.	305.67	C9H12ClN5O5	114	470	0.3	20	3	7	3	"InChI=1S/C9H12ClN5O5/c10-6-7(13-14-11)15(9(19)12-8(6)18)5-1-3(17)4(2-16)20-5/h3-7,16-17H,1-2H2,(H,12,18,19)"	C1C(C(OC1N2C(C(C(=O)NC2=O)Cl)N=[N+]=[N-])CO)O	VYMPYTLUKYXYBC-UHFFFAOYSA-N
DG54280	NSC168411	371930	2-[(1-nitroacridin-9-yl)amino]ethyl (4R)-4-[[(2S)-2-[2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoate; CHEMBL1977420; NSC-646616; NCI60_016103	.	.	Investigative Drug(s)	Investigative	Small molecular drug	168411	.	.	.	.	847.9	C41H49N7O13	296	1500	1.7	61	7	15	20	"InChI=1S/C41H49N7O13/c1-22(44-40(55)23(2)60-37-35(45-24(3)50)41(61-31(20-49)36(37)52)59-21-25-10-5-4-6-11-25)39(54)47-29(38(42)53)16-17-32(51)58-19-18-43-34-26-12-7-8-13-27(26)46-28-14-9-15-30(33(28)34)48(56)57/h4-15,22-23,29,31,35-37,41,49,52H,16-21H2,1-3H3,(H2,42,53)(H,43,46)(H,44,55)(H,45,50)(H,47,54)/t22-,23 ,29+,31 ,35 ,36 ,37 ,41 /m0/s1"	C[C@@H](C(=O)N[C@H](CCC(=O)OCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C	NFHCKNWFZUFPRO-JXMOYSMYSA-N
DG54281	"3-(4-[1,1'-Biphenyl]-4-yl-1,3-thiazol-2-yl)-3-cyano-N-(2,4-dimethylphenyl)-2-oxopropanamide"	371970	"NSC646786; CHEMBL2004429; NSC-646786; 3-(4-[1,1'-Biphenyl]-4-yl-1,3-thiazol-2-yl)-3-cyano-N-(2,4-dimethylphenyl)-2-oxopropanamide; NCI60_016138; 3-cyano-N-(2,4-dimethylphenyl)-2-oxo-3-[4-(4-phenylphenyl)thiazol-2-yl]propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646786	.	.	.	.	451.5	C27H21N3O2S	111	735	5.6	33	1	5	6	"InChI=1S/C27H21N3O2S/c1-17-8-13-23(18(2)14-17)29-26(32)25(31)22(15-28)27-30-24(16-33-27)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-14,16,22H,1-2H3,(H,29,32)"	CC1=CC(=C(C=C1)NC(=O)C(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4)C	FNHZXNAMZYZLPH-UHFFFAOYSA-N
DG54282	"2-(2-Isonicotinoylhydrazino)-N-(3-methyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-oxoacetamide"	371992	"NSC646807; SCHEMBL2990046; CHEMBL1972719; ZINC1630186; NSC-646807; NCI60_016159; N-(3-methyl-1,4-dioxo-2-naphthyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazino]acetamide; 2-(2-Isonicotinoylhydrazino)-N-(3-methyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-oxoacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646807	.	.	.	.	378.3	C19H14N4O5	141	634	2.9	28	3	6	2	"InChI=1S/C19H14N4O5/c1-10-14(16(25)13-5-3-2-4-12(13)15(10)24)21-18(27)19(28)23-22-17(26)11-6-8-20-9-7-11/h2-9,24-25H,1H3,(H,21,27)"	CC1=C(C2=CC=CC=C2C(=C1NC(=O)C(=O)N=NC(=O)C3=CC=NC=C3)O)O	FLEJZGYNIIZHJS-UHFFFAOYSA-N
DG54283	1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(2-furyl)-2-hydroxyethanone	372012	NSC646828; CHEMBL1981567; 1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(2-furyl)-2-hydroxyethanone; NSC-646828; NCI60_016180; 1-(6-chloro-3-hydroxy-quinoxalin-2-yl)-2-(2-furyl)-2-hydroxy-ethanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646828	.	.	.	.	304.68	C14H9ClN2O4	91.9	482	1.3	21	2	5	3	"InChI=1S/C14H9ClN2O4/c15-7-3-4-8-9(6-7)17-14(20)11(16-8)13(19)12(18)10-2-1-5-21-10/h1-6,12,18H,(H,17,20)"	C1=COC(=C1)C(C(=O)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O	NLRKLVGUTXNYLN-UHFFFAOYSA-N
DG54284	"6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione"	372023	"NSC646839; 4-nitro-1,8-naphthalic imide; 6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione; 6-nitrobenzo[de]isoquinoline-1,3-dione; 4-nitro-1,8-naphthalimide; Oprea1_237821; Oprea1_581402; 39061-35-3; SCHEMBL767178; CHEMBL1965637; ZINC192004; 4-Nitro-1,8-naphthalenedicarbimide; AKOS000297452; MCULE-1512912476; NSC-646839; NCI60_016191; EU-0067869; SR-01000398137; SR-01000398137-1; 2,3-dihydro-6-nitro-1H-benz[de]isoquinoline-1,3-dione; 6-(Hydroxy(oxido)amino)-1H-benzo[de]isoquinoline-1,3(2H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646839	.	.	.	.	242.19	C12H6N2O4	92	417	1.8	18	1	4	0	"InChI=1S/C12H6N2O4/c15-11-7-3-1-2-6-9(14(17)18)5-4-8(10(6)7)12(16)13-11/h1-5H,(H,13,15,16)"	C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)[N+](=O)[O-]	IUMNWHADVMZBJV-UHFFFAOYSA-N
DG54285	1-Benzyl-4-(phenylthio)azocane	372029	NSC646845; 1-Benzyl-4-(phenylthio)azocane; CHEMBL1972343; 1-benzyl-4-phenylsulfanyl-azocane; 1-Benzyl-4-azocanyl phenyl sulfide; NSC-646845; NCI60_016195	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646845	.	.	.	.	311.5	C20H25NS	28.5	294	5.2	22	0	2	4	"InChI=1S/C20H25NS/c1-3-9-18(10-4-1)17-21-15-8-7-13-20(14-16-21)22-19-11-5-2-6-12-19/h1-6,9-12,20H,7-8,13-17H2"	C1CCN(CCC(C1)SC2=CC=CC=C2)CC3=CC=CC=C3	ISMYZIIEFHOJAG-UHFFFAOYSA-N
DG54286	8-(4-Nitro-benzyloxy)-quinoline	372051	"8-(4-Nitro-benzyloxy)-quinoline; 8-[(4-nitrophenyl)methoxy]quinoline; NSC646911; Oprea1_765576; MLS001198746; 8-(4-Nitrobenzyloxy)quinoline; SCHEMBL1083102; CHEMBL1417814; 8-[(4-Nitrobenzyl)oxy]quinoline; HMS2859K10; ZINC316020; AKOS000583600; MCULE-1439336808; NSC-646911; NCI60_016210; Quinoline, 8-[(4-nitrophenyl)methoxy]-; SMR000558899; [4-(8-quinolyloxymethyl)phenyl]azinic acid; 8-((4-(Hydroxy(oxido)amino)benzyl)oxy)quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646911	.	.	.	.	280.28	C16H12N2O3	67.9	350	3.3	21	0	4	3	"InChI=1S/C16H12N2O3/c19-18(20)14-8-6-12(7-9-14)11-21-15-5-1-3-13-4-2-10-17-16(13)15/h1-10H,11H2"	C1=CC2=C(C(=C1)OCC3=CC=C(C=C3)[N+](=O)[O-])N=CC=C2	JGDBDRRKKSGUJT-UHFFFAOYSA-N
DG54287	NSC646934	372068	"4,8-Ethenopyrrolo[3,4-f]isoindole-9-carboxylic acid, 1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-8,10-dimethyl-1,3,5,7-tetraoxo-, ethyl ester; NSC646934; CHEMBL1981225; NSC-646934; 4,8-Ethenopyrrolo[3,4-f]isoindole-9-carboxylic acid, 1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-8,10-dimethyl-1,3,5,7-tetraoxo-, ethyl ester; NCI60_016226"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646934	.	.	.	.	346.3	C17H18N2O6	119	755	-1.2	25	2	6	3	"InChI=1S/C17H18N2O6/c1-4-25-16(24)9-5(2)6-7-10(14(22)18-12(7)20)17(9,3)11-8(6)13(21)19-15(11)23/h6-8,10-11H,4H2,1-3H3,(H,18,20,22)(H,19,21,23)"	CCOC(=O)C1=C(C2C3C(C1(C4C2C(=O)NC4=O)C)C(=O)NC3=O)C	DQHZYZKPZAYQIF-UHFFFAOYSA-N
DG54288	4-(Dimethylamino)-2-(1H-indol-3-yl)-4-oxobutanoic acid	372083	NSC646962; 4-(Dimethylamino)-2-(1H-indol-3-yl)-4-oxobutanoic acid; CHEMBL1971199; NSC-646962; NCI60_016232; 4-(dimethylamino)-2-(1H-indol-3-yl)-4-oxo-butanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646962	.	.	.	.	260.29	C14H16N2O3	73.4	357	1	19	2	3	4	"InChI=1S/C14H16N2O3/c1-16(2)13(17)7-10(14(18)19)11-8-15-12-6-4-3-5-9(11)12/h3-6,8,10,15H,7H2,1-2H3,(H,18,19)"	CN(C)C(=O)CC(C1=CNC2=CC=CC=C21)C(=O)O	GZCIQJUCDZFTOT-UHFFFAOYSA-N
DG54289	[2-(cyanomethyl)-1H-indol-3-yl]methyl-trimethylazanium;iodide	372102	CHEMBL1964635; NSC646977; NSC-646977	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646977	.	.	.	.	355.22	C14H18IN3	39.6	309	.	18	1	2	3	"InChI=1S/C14H18N3.HI/c1-17(2,3)10-12-11-6-4-5-7-13(11)16-14(12)8-9-15;/h4-7,16H,8,10H2,1-3H3;1H/q+1;/p-1"	C[N+](C)(C)CC1=C(NC2=CC=CC=C21)CC#N.[I-]	XFDPGPFYMHAUCV-UHFFFAOYSA-M
DG54290	"2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone"	372107	"2,2,2-Trifluoro-1-[3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl]ethanone; NSC646981; 2,2,2-trifluoro-1-[3-(trifluoromethyl)benzo[g][2,1]benzoxazol-5-yl]ethanone; 129602-62-6; 2,2,2-Trifluoro-1-(3-(trifluoromethyl)naphtho[1,2-c]isoxazol-5-yl)ethanone; CHEMBL1979835; ZINC1630275; MFCD11101435; NSC-646981; NCI60_016243; 5-Trifluoroacetyl-3-trifluoromethylnaphth[1,2-c]isoxazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646981	.	.	.	.	333.18	C14H5F6NO2	43.1	477	4.7	23	0	9	1	"InChI=1S/C14H5F6NO2/c15-13(16,17)11(22)8-5-9-10(7-4-2-1-3-6(7)8)21-23-12(9)14(18,19)20/h1-5H"	C1=CC=C2C(=C1)C(=CC3=C(ON=C23)C(F)(F)F)C(=O)C(F)(F)F	KEBWDNXYMFJTRK-UHFFFAOYSA-N
DG54291	S-(N-hydroxy N-methylcarbamoyl)-glutathione	372113	NSC647036; S-(N-hydroxy N-methylcarbamoyl)-glutathione; CHEMBL1999829; NSC-647036	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647036	.	.	.	.	440.43	C14H24N4O10S	262	560	.	29	7	12	11	"InChI=1S/C12H20N4O8S.C2H4O2/c1-16(24)12(23)25-5-7(10(20)14-4-9(18)19)15-8(17)3-2-6(13)11(21)22;1-2(3)4/h6-7,24H,2-5,13H2,1H3,(H,14,20)(H,15,17)(H,18,19)(H,21,22);1H3,(H,3,4)"	CC(=O)O.CN(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O	IZORHBICPPIBTR-UHFFFAOYSA-N
DG54292	"Acetatobis(1,3-dionato)samarium(III)"	372117	"NSC647045; Acetatobis(1,3-dionato)samarium(III); NSC-647045; NCI60_016257"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647045	.	.	.	.	655.9	C32H25O6Sm	108	635	.	39	0	8	4	"InChI=1S/2C15H11O2.C2H4O2.Sm/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-2(3)4;/h2*1-11H;1H3,(H,3,4);/q2*-1;;+3/p-1"	CC(=O)[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Sm+3]	BKZFWYRHBFCRCX-UHFFFAOYSA-M
DG54293	"1,1-dimethyl-2-(5-nitro-2-phenyl-3H-pyridazin-4-yl)hydrazine"	372167	"NSC647118; CHEMBL2007149; 1,1-dimethyl-2-(5-nitro-2-phenyl-3H-pyridazin-4-yl)hydrazine; ZINC5824138; NSC-647118; NCI60_016318; 5-(2,2-Dimethylhydrazino)-4-(hydroxy(oxido)amino)-1-phenyl-1,6-dihydropyridazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647118	.	.	.	.	261.279	C12H15N5O2	76.7	393	2.4	19	1	6	3	"InChI=1S/C12H15N5O2/c1-15(2)14-11-9-16(10-6-4-3-5-7-10)13-8-12(11)17(18)19/h3-8,14H,9H2,1-2H3"	CN(C)NC1=C(C=NN(C1)C2=CC=CC=C2)[N+](=O)[O-]	RVCIPAQCXKNYEY-UHFFFAOYSA-N
DG54294	5-Fluoro-2-pyridin-2-yl-1H-quinolin-4-one	372260	CHEMBL14113; NSC647316; 5-Fluoro-2-pyridin-2-yl-1H-quinolin-4-one; BDBM50041105; NSC-647316; NCI60_016384; 2-(2-Pyridinyl)-5-fluoroquinolin-4(1H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647316	.	.	.	.	240.23	C14H9FN2O	42	369	2.3	18	1	4	1	"InChI=1S/C14H9FN2O/c15-9-4-3-6-11-14(9)13(18)8-12(17-11)10-5-1-2-7-16-10/h1-8H,(H,17,18)"	C1=CC=NC(=C1)C2=CC(=O)C3=C(N2)C=CC=C3F	FKJLMNPHRRHQHI-UHFFFAOYSA-N
DG54295	6-Methoxy-2-pyridin-2-yl-1H-quinolin-4-one	372261	CHEMBL14775; NSC647317; 6-Methoxy-2-pyridin-2-yl-1H-quinolin-4-one; BDBM50041104; NSC-647317; NCI60_016385; 2-(2-Pyridinyl)-6-methoxyquinolin-4(1H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647317	.	.	.	.	252.27	C15H12N2O2	51.2	380	2.1	19	1	4	2	"InChI=1S/C15H12N2O2/c1-19-10-5-6-12-11(8-10)15(18)9-14(17-12)13-4-2-3-7-16-13/h2-9H,1H3,(H,17,18)"	COC1=CC2=C(C=C1)NC(=CC2=O)C3=CC=CC=N3	BXJVCIMXOZDEFT-UHFFFAOYSA-N
DG54296	4-(6-Methoxyquinolin-2-yl)phenol	372264	NSC647320; CHEMBL2005905; NSC-647320; NCI60_016388; DB-099517; 906441-59-6	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647320	.	.	.	.	251.28	C16H13NO2	42.4	289	3.5	19	1	3	2	"InChI=1S/C16H13NO2/c1-19-14-7-9-16-12(10-14)4-8-15(17-16)11-2-5-13(18)6-3-11/h2-10,18H,1H3"	COC1=CC2=C(C=C1)N=C(C=C2)C3=CC=C(C=C3)O	UHPHCUBVWLTRQH-UHFFFAOYSA-N
DG54297	6-Methoxy-2-(4-methoxyphenyl)quinolin-4-ol	372265	"CHEMBL14284; MLS000517824; 21202-70-0; 6-methoxy-2-(4-methoxyphenyl)quinolin-4-ol; KUC100258; NSC647321; SCHEMBL2465149; DTXSID80327343; HMS2204F22; HMS3340L12; KUC100258N; ZINC5503234; BDBM50041132; NSC-647321; NCI60_016389; SMR000129069; 6-Methoxy-2-(4-methoxy-phenyl)-1H-quinolin-4-one; 2-(4-Methoxyphenyl)-6-methoxy-1,4-dihydroquinoline-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647321	.	.	.	.	281.3	C17H15NO3	47.6	412	3.1	21	1	4	3	"InChI=1S/C17H15NO3/c1-20-12-5-3-11(4-6-12)16-10-17(19)14-9-13(21-2)7-8-15(14)18-16/h3-10H,1-2H3,(H,18,19)"	COC1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)OC	OMDFUGQWTUUDGN-UHFFFAOYSA-N
DG54298	2-(4-Hydroxy-phenyl)-6-methoxy-1H-quinolin-4-one	372266	CHEMBL14928; NSC647322; Neuro_000352; 2-(4-Hydroxy-phenyl)-6-methoxy-1H-quinolin-4-one; ZINC5503270; BDBM50041134; NSC-647322; NCI60_016390; 6-Methoxy-2-(4-hydroxyphenyl)-4(1H)-quinolone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647322	.	.	.	.	267.28	C16H13NO3	58.6	399	2.8	20	2	4	2	"InChI=1S/C16H13NO3/c1-20-12-6-7-14-13(8-12)16(19)9-15(17-14)10-2-4-11(18)5-3-10/h2-9,18H,1H3,(H,17,19)"	COC1=CC2=C(C=C1)NC(=CC2=O)C3=CC=C(C=C3)O	MZFBDYXSPMCMSX-UHFFFAOYSA-N
DG54299	"6-Phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	372269	"CHEMBL418350; NSC647325; 6-Phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; BDBM50037464; NSC-647325; NCI60_016393; 6-Phenyl-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647325	.	.	.	.	265.26	C16H11NO3	47.6	427	3	20	1	4	1	"InChI=1S/C16H11NO3/c18-14-7-12(10-4-2-1-3-5-10)17-13-8-16-15(6-11(13)14)19-9-20-16/h1-8H,9H2,(H,17,18)"	C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC=CC=C4	YACAQGYKZIDSJC-UHFFFAOYSA-N
DG54300	"5,7-Dimethoxy-2-[(2-methyl-1,3-dioxan-2-yl)methyl]naphthalene-1,4-dione"	372272	NSC647328; CHEMBL1977498; NSC-647328; NCI60_016396	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647328	.	.	.	.	332.3	C18H20O6	71.1	534	1.8	24	0	6	4	"InChI=1S/C18H20O6/c1-18(23-5-4-6-24-18)10-11-7-14(19)16-13(17(11)20)8-12(21-2)9-15(16)22-3/h7-9H,4-6,10H2,1-3H3"	CC1(OCCCO1)CC2=CC(=O)C3=C(C2=O)C=C(C=C3OC)OC	ZHOZOWOWNFLURO-UHFFFAOYSA-N
DG54301	"6,8-Dimethoxy-3-[(2-methyl-1,3-dioxan-2-yl)methyl]naphthalene-1,2-dione"	372273	NSC647329; CHEMBL1974333; NSC-647329; NCI60_016397	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647329	.	.	.	.	332.3	C18H20O6	71.1	534	1.9	24	0	6	4	"InChI=1S/C18H20O6/c1-18(23-5-4-6-24-18)10-12-7-11-8-13(21-2)9-14(22-3)15(11)17(20)16(12)19/h7-9H,4-6,10H2,1-3H3"	CC1(OCCCO1)CC2=CC3=C(C(=CC(=C3)OC)OC)C(=O)C2=O	KDUMZSZKLZBDOQ-UHFFFAOYSA-N
DG54302	5-Chloro-5-methoxy-2-(4-methoxyphenyl)cyclohexanecarbaldehyde	372280	NSC647338; 5-Chloro-5-methoxy-2-(4-methoxyphenyl)cyclohexanecarbaldehyde; CHEMBL2003065; NSC-647338; NCI60_016405	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647338	.	.	.	.	282.76	C15H19ClO3	35.5	302	2.7	19	0	3	4	"InChI=1S/C15H19ClO3/c1-18-13-5-3-11(4-6-13)14-7-8-15(16,19-2)9-12(14)10-17/h3-6,10,12,14H,7-9H2,1-2H3"	COC1=CC=C(C=C1)C2CCC(CC2C=O)(OC)Cl	KPMOARVPBQKECG-UHFFFAOYSA-N
DG54303	"Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate"	372311	"NSC647370; Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate; methyl 1,4-dioxaspiro[4.5]decane-9-carboxylate; SCHEMBL1812235; CHEMBL1969786; 1,4-Dioxaspiro[4.5]decane-7-carboxylic acid, methyl ester; NSC-647370; 13149-16-1; NCI60_016431; methyl 1,4-di oxaspiro[4.5]decane-7-carboxylate; METHYL 3,3-(ETHYLENEDIOXY)CYCLOHEXANECARBOXYLATE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647370	.	.	.	.	200.23	C10H16O4	44.8	220	0.7	14	0	4	2	"InChI=1S/C10H16O4/c1-12-9(11)8-3-2-4-10(7-8)13-5-6-14-10/h8H,2-7H2,1H3"	COC(=O)C1CCCC2(C1)OCCO2	DYHGYAOSFBZYRW-UHFFFAOYSA-N
DG54304	"5-Bromo-6-(5-methyl-1,3-benzodithiol-2-yl)-1,3-benzodioxole"	372336	"NSC647394; 5-Bromo-6-(5-methyl-1,3-benzodithiol-2-yl)-1,3-benzodioxole; CHEMBL1995069; NSC-647394; NCI60_016449"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647394	.	.	.	.	367.3	C15H11BrO2S2	69.1	370	5.2	20	0	4	1	"InChI=1S/C15H11BrO2S2/c1-8-2-3-13-14(4-8)20-15(19-13)9-5-11-12(6-10(9)16)18-7-17-11/h2-6,15H,7H2,1H3"	CC1=CC2=C(C=C1)SC(S2)C3=CC4=C(C=C3Br)OCO4	RRVWEMDKQTVSTK-UHFFFAOYSA-N
DG54305	"Dimethyl 2a-(acetyloxy)-2a,10b-dihydrocyclobuta[l]phenanthrene-1,2-dicarboxylate"	372337	"NSC647395; Dimethyl 2a-(acetyloxy)-2a,10b-dihydrocyclobuta[l]phenanthrene-1,2-dicarboxylate; NSC-647395; NCI60_016450; dimethyl 10b-acetoxy-2aH-cyclobuta[l]phenanthrene-1,2-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647395	.	.	.	.	378.4	C22H18O6	78.9	725	2.6	28	0	6	6	"InChI=1S/C22H18O6/c1-12(23)28-22-16-11-7-6-9-14(16)13-8-4-5-10-15(13)18(22)17(20(24)26-2)19(22)21(25)27-3/h4-11,18H,1-3H3"	CC(=O)OC12C(C3=CC=CC=C3C4=CC=CC=C41)C(=C2C(=O)OC)C(=O)OC	BIMCFBABWXWLHN-UHFFFAOYSA-N
DG54306	"Dimethyl 2a-methoxy-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene-1,2-dicarboxylate"	372341	"NSC647399; Dimethyl 2a-methoxy-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene-1,2-dicarboxylate; NSC-647399; dimethyl 10b-methoxy-2,2a-dihydro-1H-cyclobuta[l]phenanthrene-1,2-dicarboxylate; NCI60_016454"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647399	.	.	.	.	352.4	C21H20O5	61.8	575	2.4	26	0	5	5	"InChI=1S/C21H20O5/c1-24-19(22)16-17-14-10-5-4-8-12(14)13-9-6-7-11-15(13)21(17,26-3)18(16)20(23)25-2/h4-11,16-18H,1-3H3"	COC(=O)C1C2C3=CC=CC=C3C4=CC=CC=C4C2(C1C(=O)OC)OC	ZDVHMVKSKBNABO-UHFFFAOYSA-N
DG54307	((9-(4-Morpholinylmethyl)-9H-purin-6-yl)thio)methyl acetate	372422	NSC647471; 9-morpholinylmethyl-S6-acetyloxymethyl-6-mercaptopurine; ((9-(4-Morpholinylmethyl)-9H-purin-6-yl)thio)methyl acetate; CHEMBL1982420; SCHEMBL13742806; ZINC31841693; NSC-647471; NCI60_016498; [9-(morpholinomethyl)purin-6-yl]sulfanylmethyl acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647471	.	.	.	.	323.37	C13H17N5O3S	108	383	0.6	22	0	8	6	"InChI=1S/C13H17N5O3S/c1-10(19)21-9-22-13-11-12(14-6-15-13)18(7-16-11)8-17-2-4-20-5-3-17/h6-7H,2-5,8-9H2,1H3"	CC(=O)OCSC1=NC=NC2=C1N=CN2CN3CCOCC3	JFRCSXJCJMYMNX-UHFFFAOYSA-N
DG54308	"N-(2-[{6[1-(3,5-Trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-yl}oxy]ethyl)-ethyl]-1,3-benzodioxol-5-yl}-oxy]acetamide"	372424	"NSC647526; CHEMBL1974921; NSC-647526; NCI60_016500; N-(2-[{6[1-(3,5-Trimethoxyphenyl)ethyl]-1,3-benzodioxol- 5-yl}oxy]ethyl)-ethyl]-1,3-benzodioxol-5-yl}-oxy]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647526	.	.	.	.	747.8	C40H45NO13	140	1120	6.9	54	1	13	17	"InChI=1S/C40H45NO13/c1-22(24-11-34(43-3)39(47-7)35(12-24)44-4)26-15-30-32(53-20-51-30)17-28(26)49-10-9-41-38(42)19-50-29-18-33-31(52-21-54-33)16-27(29)23(2)25-13-36(45-5)40(48-8)37(14-25)46-6/h11-18,22-23H,9-10,19-21H2,1-8H3,(H,41,42)"	CC(C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2OCCNC(=O)COC4=CC5=C(C=C4C(C)C6=CC(=C(C(=C6)OC)OC)OC)OCO5)OCO3	SGJDGNOUERDNGF-UHFFFAOYSA-N
DG54309	"1,4:9,10-Dimethanoanthracene-9(4H)-carboxylic acid, 1,2,3,4-tetrachloro-1,4a,9a,10-tetrahydro-12,12-dimethoxy-"	372429	"NSC647543; CHEMBL1970985; NSC-647543; tetrachloro(dimethoxy)[ ]carboxylic acid; 1,4:9,10-Dimethanoanthracene-9(4H)-carboxylic acid, 1,2,3,4-tetrachloro-1,4a,9a,10-tetrahydro-12,12-dimethoxy-; NCI60_016507"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647543	.	.	.	.	450.1	C19H16Cl4O4	55.8	767	3	27	1	4	3	"InChI=1S/C19H16Cl4O4/c1-26-19(27-2)17(22)11-9-7-16(15(24)25,10-6-4-3-5-8(9)10)12(11)18(19,23)14(21)13(17)20/h3-6,9,11-12H,7H2,1-2H3,(H,24,25)"	COC1(C2(C3C4CC(C3C1(C(=C2Cl)Cl)Cl)(C5=CC=CC=C45)C(=O)O)Cl)OC	CJILBBFZBHOSEH-UHFFFAOYSA-N
DG54310	"Methyl 5,6-bis(phenylsulfonyl)bicyclo[2.2.1]hept-2-ene-2-carboxylate"	372432	"NSC647546; Methyl 5,6-bis(phenylsulfonyl)bicyclo[2.2.1]hept-2-ene-2-carboxylate; CHEMBL1977621; methyl 2,3-bis(benzenesulfonyl)bicyclo[2.2.1]hept-5-ene-5-carboxylate; NSC-647546; NCI60_016510"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647546	.	.	.	.	432.5	C21H20O6S2	111	865	2.7	29	0	6	6	"InChI=1S/C21H20O6S2/c1-27-21(22)18-13-14-12-17(18)20(29(25,26)16-10-6-3-7-11-16)19(14)28(23,24)15-8-4-2-5-9-15/h2-11,13-14,17,19-20H,12H2,1H3"	COC(=O)C1=CC2CC1C(C2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4	HFPFDNPWRBBKBQ-UHFFFAOYSA-N
DG54311	"1-Tricyclo[3.2.2.02,4]nonanylmethyl 4-methylbenzenesulfonate"	372434	"NSC647548; CHEMBL1973679; NSC-647548; NCI60_016512; Tricyclo[3.2.2.0~2,4~]non-1-ylmethyl 4-methylbenzenesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647548	.	.	.	.	306.4	C17H22O3S	51.8	491	4.1	21	0	3	4	"InChI=1S/C17H22O3S/c1-12-2-4-14(5-3-12)21(18,19)20-11-17-8-6-13(7-9-17)15-10-16(15)17/h2-5,13,15-16H,6-11H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(CC2)C4C3C4	OWMLFOIVYPQKRR-UHFFFAOYSA-N
DG54312	"Ethyl 4-((2-ethoxy-2-oxoethyl)imino)-2-(methylthio)-6-(phenylthio)-4H-imidazo[5,1-b][1,3,5]thiadiazine-8-carboxylate"	372505	"NSC647621; Ethyl 4-((2-ethoxy-2-oxoethyl)imino)-2-(methylthio)-6-(phenylthio)-4H-imidazo[5,1-b][1,3,5]thiadiazine-8-carboxylate; CHEMBL1996553; ZINC17991572; ZINC104296632; NSC-647621; NCI60_016574; ethyl (4Z)-4-(2-ethoxy-2-oxo-ethyl)imino-2-methylsulfanyl-6-phenylsulfanyl-imidazo[5,1-b][1,3,5]thiadiazine-8-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647621	.	.	.	.	464.6	C19H20N4O4S3	171	685	5.1	30	0	9	10	"InChI=1S/C19H20N4O4S3/c1-4-26-13(24)11-20-17-22-19(28-3)30-15-14(16(25)27-5-2)21-18(23(15)17)29-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3"	CCOC(=O)CN=C1N=C(SC2=C(N=C(N21)SC3=CC=CC=C3)C(=O)OCC)SC	WTMAVTGBKXBWRC-UHFFFAOYSA-N
DG54313	"2,4,7-Trimethyl-6-phenylpyrrolo[1,2-a]pyrimidine"	372531	"NSC647710; 2,4,7-Trimethyl-6-phenylpyrrolo[1,2-a]pyrimidine; CHEMBL2004935; ZINC1630695; NSC-647710; Pyrrolo[1, 2,4,7-trimethyl-6-phenyl; NCI60_016596; 2,4,7-trimethyl-6-phenyl-pyrrolo[1,2-a]pyrimidine; {Pyrrolo[1,2-a]pyrimidine,} 2,4,7-trimethyl-6-phenyl"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647710	.	.	.	.	236.31	C16H16N2	17.3	285	4.6	18	0	1	1	"InChI=1S/C16H16N2/c1-11-9-15-17-12(2)10-13(3)18(15)16(11)14-7-5-4-6-8-14/h4-10H,1-3H3"	CC1=CC(=NC2=CC(=C(N12)C3=CC=CC=C3)C)C	VIYJAFDLSZFESZ-UHFFFAOYSA-N
DG54314	"Ethyl 4,6-dihydrofuro[2,3-c]pyrrole-5-carboxylate"	372542	"131169-38-5; ethyl 4,6-dihydrofuro[2,3-c]pyrrole-5-carboxylate; Ethyl 4,6-dihydro-5H-furo[2,3-c]pyrrole-5-carboxylate; NSC647720; ethyl 4H-furo[2,3-c]pyrrole-5(6H)-carboxylate; 5H-Furo[2,3-c]pyrrole-5-carboxylic  acid,  4,6-dihydro-,  ethyl  ester; CHEMBL1992264; ZINC1630704; AKOS015906425; NSC-647720; NCI60_016604; 4,6-Dihydro-5H-furo[2,3-c]pyrrole-5-carboxylic acid ethyl ester; 5,6-dihydro-4H-furo[3,2-c]pyrrole-5-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647720	.	.	.	.	181.19	C9H11NO3	42.7	207	0.7	13	0	3	2	"InChI=1S/C9H11NO3/c1-2-12-9(11)10-5-7-3-4-13-8(7)6-10/h3-4H,2,5-6H2,1H3"	CCOC(=O)N1CC2=C(C1)OC=C2	DEWWWQDZJOQUGR-UHFFFAOYSA-N
DG54315	N-[2-[2-aminoethyl(nonanoyl)amino]ethyl]nonanamide	372547	"NSC647758; N-[2-[2-aminoethyl(nonanoyl)amino]ethyl]nonanamide; CHEMBL1994058; N-(2-Aminoethyl)-N-(2-(nonanoylamino)ethyl)nonanamide; ZINC73410108; NSC-647758; NCI60_016610; Nonanamide, N-(2-aminoethyl)- N-[2-[(1-oxononyl)amino]ethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647758	.	.	.	.	383.6	C22H45N3O2	75.4	362	5.2	27	2	3	19	"InChI=1S/C22H45N3O2/c1-3-5-7-9-11-13-15-21(26)24-18-20-25(19-17-23)22(27)16-14-12-10-8-6-4-2/h3-20,23H2,1-2H3,(H,24,26)"	CCCCCCCCC(=O)NCCN(CCN)C(=O)CCCCCCCC	VEWSIAVHSPXXPI-UHFFFAOYSA-N
DG54316	Jasplakinolide epoxide C	372550	Jasplakinolide epoxide C; NSC647763; NSC-647763; NCI60_016614	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647763	.	.	.	.	725.7	C36H45BrN4O7	153	1180	5.1	48	4	7	3	"InChI=1S/C36H45BrN4O7/c1-19-15-21(3)47-30(43)17-28(23-11-13-24(42)14-12-23)40-34(45)29(16-26-25-9-7-8-10-27(25)39-32(26)37)41(6)35(46)22(4)38-33(44)20(2)18-36(5)31(19)48-36/h7-14,19-22,28-29,31,39,42H,15-18H2,1-6H3,(H,38,44)(H,40,45)/t19 ,20-,21 ,22 ,28+,29+,31 ,36 /m0/s1"	C[C@H]1CC2(C(O2)C(CC(OC(=O)C[C@@H](NC(=O)[C@H](N(C(=O)C(NC1=O)C)C)CC3=C(NC4=CC=CC=C43)Br)C5=CC=C(C=C5)O)C)C)C	VMIIVZLUGYTWOR-CFTVTNDJSA-N
DG54317	"Benzamide, 2-amino-N-[[4-[(5-bromopyrimidin-2-yl)oxy]3-methylphenyl]aminocarbonyl]-"	372559	"aminoBPU; NSC647884; SCHEMBL9720475; CHEMBL1987682; ZINC1630712; NSC-647884; NCI60_016623; N-(2-aminobenzoyl)-N'-[4-(5-bromo-2-pyrimidinyloxy)-3-methylphenyl]urea; Benzamide, 2-amino-N-[[4-[(5-bromopyrimidin-2-yl)oxy]3-methylphenyl]aminocarbonyl]-; Urea, N-(2-aminobenzoyl)-N'-[(5-bromopyrimidin-2-yl)oxy]-3-methylphenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647884	.	.	.	.	442.3	C19H16BrN5O3	119	544	4	28	3	6	4	"InChI=1S/C19H16BrN5O3/c1-11-8-13(6-7-16(11)28-19-22-9-12(20)10-23-19)24-18(27)25-17(26)14-4-2-3-5-15(14)21/h2-10H,21H2,1H3,(H2,24,25,26,27)"	CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2N)OC3=NC=C(C=N3)Br	ORIPEOKULFJBFK-UHFFFAOYSA-N
DG54318	NSC647889	372560	"1-[(3S,8R,10S,13S,17S)-17-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]urea; NSC647889; NCI60_016624"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647889	.	.	.	.	548.8	C33H48N4OS	85.5	863	7.3	39	2	4	6	"InChI=1S/C33H48N4OS/c1-32-16-14-24(35-31(38)36-28(30-34-18-19-39-30)20-22-8-6-5-7-9-22)21-23(32)10-11-25-26-12-13-29(37(3)4)33(26,2)17-15-27(25)32/h5-9,18-19,23-29H,10-17,20-21H2,1-4H3,(H2,35,36,38)/t23 ,24-,25-,26 ,27 ,28 ,29-,32-,33-/m0/s1"	C[C@]12CCC3[C@H](C1CC[C@@H]2N(C)C)CCC4[C@@]3(CC[C@@H](C4)NC(=O)NC(CC5=CC=CC=C5)C6=NC=CS6)C	QPOUCHIQTFZFLC-UFMFRRGXSA-N
DG54319	"2,4-Dinitro-5-[bis(2-chloroethyl)amino]benzonitrile"	372566	"NSC647928; CHEMBL68479; SCHEMBL8663996; NSC-647928; NCI60_016626; 2,4-Dinitro-5-[bis(2-chloroethyl)amino]benzonitrile; 5-[N,N-bis(2-chloroethyl)amino]-2,4-dinitrobenzonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647928	.	.	.	.	333.12	C11H10Cl2N4O4	119	424	2.6	21	0	6	5	"InChI=1S/C11H10Cl2N4O4/c12-1-3-15(4-2-13)10-5-8(7-14)9(16(18)19)6-11(10)17(20)21/h5-6H,1-4H2"	C1=C(C(=CC(=C1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C#N	HGQCWSSCAYOKJM-UHFFFAOYSA-N
DG54320	"N-(2-(3,4-Dimethoxyphenyl)ethyl)-3-(9H-fluoren-9-yl)-1-propanamine"	372579	"NSC647939; CHEMBL2002959; N-(2-(3,4-Dimethoxyphenyl)ethyl)-3-(9H-fluoren-9-yl)-1-propanamine; N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(9H-fluoren-9-yl)propan-1-amine; NSC-647939; NCI60_016631; N-[2-(3,4-Dimethoxyphenyl)ethyl]-9H-fluorene-9-(propan-1-amine); N-(2-(3,4-Dimethoxyphenyl)ethyl)-N-(3-(9H-fluoren-9-yl)propyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647939	.	.	.	.	387.5	C26H29NO2	30.5	461	5.5	29	1	3	9	"InChI=1S/C26H29NO2/c1-28-25-14-13-19(18-26(25)29-2)15-17-27-16-7-12-24-22-10-5-3-8-20(22)21-9-4-6-11-23(21)24/h3-6,8-11,13-14,18,24,27H,7,12,15-17H2,1-2H3"	COC1=C(C=C(C=C1)CCNCCCC2C3=CC=CC=C3C4=CC=CC=C24)OC	YSRBMOPBDXEQTE-UHFFFAOYSA-N
DG54321	"4,5-Dihydro-1H-1-benzazepine-2,6,9(3H)-trione"	372580	"NSC647940; 4,5-Dihydro-1H-1-benzazepine-2,6,9(3H)-trione; 1,3,4,5-tetrahydro-1-benzazepine-2,6,9-trione; CHEMBL1990506; NSC-647940; NCI60_016632; 1,3,4,5-Tetrahydro-2H-1-benzazepine-2,6,9-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647940	.	.	.	.	191.18	C10H9NO3	63.2	390	-0.2	14	1	3	0	"InChI=1S/C10H9NO3/c12-7-4-5-8(13)10-6(7)2-1-3-9(14)11-10/h4-5H,1-3H2,(H,11,14)"	C1CC2=C(C(=O)C=CC2=O)NC(=O)C1	IKDCGLCVEMQVFY-UHFFFAOYSA-N
DG54322	"4-Hydroxy-2,2,7-trimethyl-3,4-dihydro-2H-pyrano[3,2-g]quinoline-5,10-dione"	372581	"NSC647941; 4-Hydroxy-2,2,7-trimethyl-3,4-dihydro-2H-pyrano[3,2-g]quinoline-5,10-dione; CHEMBL1970282; 4-hydroxy-2,2,7-trimethyl-3,4-dihydropyrano[3,2-g]quinoline-5,10-dione; NSC-647941; NCI60_016633"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647941	.	.	.	.	273.28	C15H15NO4	76.5	508	1.2	20	1	5	0	"InChI=1S/C15H15NO4/c1-7-4-8-11(16-6-7)13(19)14-10(12(8)18)9(17)5-15(2,3)20-14/h4,6,9,17H,5H2,1-3H3"	CC1=CC2=C(C(=O)C3=C(C2=O)C(CC(O3)(C)C)O)N=C1	YIMVNPNFSCHJGD-UHFFFAOYSA-N
DG54323	N-(2-Cyanoethyl)-N-(4-((phenylimino)methyl)phenyl)benzenesulfonamide	372598	NSC647959; CHEMBL1989530; N-(2-Cyanoethyl)-N-(4-((phenylimino)methyl)phenyl)benzenesulfonamide; ZINC18158544; ZINC103845210; NSC-647959; NCI60_016647; N-(2-cyanoethyl)-N-[4-[(E)-phenyliminomethyl]phenyl]benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647959	.	.	.	.	389.5	C22H19N3O2S	81.9	641	3.6	28	0	5	7	"InChI=1S/C22H19N3O2S/c23-16-7-17-25(28(26,27)22-10-5-2-6-11-22)21-14-12-19(13-15-21)18-24-20-8-3-1-4-9-20/h1-6,8-15,18H,7,17H2"	C1=CC=C(C=C1)N=CC2=CC=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC=C3	BGGVTOMPSDLRFU-UHFFFAOYSA-N
DG54324	"3-(4-((2-(Hydroxy(oxido)amino)phenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide"	372604	"NSC647965; CHEMBL1972242; NSC-647965; NCI60_016653; 3-(4-((2-(Hydroxy(oxido)amino)phenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide; N-(2-methoxyphenyl)-3-[4-[(E)-(2-nitrophenyl)azo]-3,5-diphenyl-pyrazol-1-yl]-3-oxo-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647965	.	.	.	.	560.6	C31H24N6O5	144	947	6.6	42	1	8	8	"InChI=1S/C31H24N6O5/c1-42-26-19-11-9-17-24(26)32-27(38)20-28(39)36-31(22-14-6-3-7-15-22)30(29(35-36)21-12-4-2-5-13-21)34-33-23-16-8-10-18-25(23)37(40)41/h2-19H,20H2,1H3,(H,32,38)"	COC1=CC=CC=C1NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5	LLQYRHHJXMFUCP-UHFFFAOYSA-N
DG54325	"N-(4-Chlorophenyl)-3-(4-((4-(hydroxy(oxido)amino)phenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide"	372606	"NSC647967; CHEMBL1982264; ZINC5833007; ZINC104296795; NSC-647967; NCI60_016655; N-(4-Chlorophenyl)-3-(4-((4-(hydroxy(oxido)amino)phenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide; N-(4-chlorophenyl)-3-[4-[(E)-(4-nitrophenyl)azo]-3,5-diphenyl-pyrazol-1-yl]-3-oxo-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647967	.	.	.	.	565	C30H21ClN6O4	135	918	7.2	41	1	7	7	"InChI=1S/C30H21ClN6O4/c31-22-11-13-23(14-12-22)32-26(38)19-27(39)36-30(21-9-5-2-6-10-21)29(28(35-36)20-7-3-1-4-8-20)34-33-24-15-17-25(18-16-24)37(40)41/h1-18H,19H2,(H,32,38)"	C1=CC=C(C=C1)C2=C(C(=NN2C(=O)CC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4)N=NC5=CC=C(C=C5)[N+](=O)[O-]	PRUOUANBINANJR-UHFFFAOYSA-N
DG54326	"[4-[(E)-(4-nitrophenyl)azo]-3,5-diphenyl-pyrazol-1-yl]-(4-pyridyl)methanone"	372607	"NSC647968; CHEMBL1966826; NSC-647968; NCI60_016656; [4-[(E)-(4-nitrophenyl)azo]-3,5-diphenyl-pyrazol-1-yl]-(4-pyridyl)methanone; 4-((4-((4-(Hydroxy(oxido)amino)phenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)carbonyl)pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647968	.	.	.	.	474.5	C27H18N6O3	118	762	5.6	36	0	7	5	InChI=1S/C27H18N6O3/c34-27(21-15-17-28-18-16-21)32-26(20-9-5-2-6-10-20)25(24(31-32)19-7-3-1-4-8-19)30-29-22-11-13-23(14-12-22)33(35)36/h1-18H	C1=CC=C(C=C1)C2=C(C(=NN2C(=O)C3=CC=NC=C3)C4=CC=CC=C4)N=NC5=CC=C(C=C5)[N+](=O)[O-]	DMHDMJPCTDUJQH-UHFFFAOYSA-N
DG54327	"9-Amino-5,6-difluoro-3-oxo-3H-pyrido[3,2,1-kl]phenoxazine-2-carboxylic acid"	372621	"CHEMBL2002459; NSC648059; Carboxylic acid der.; SCHEMBL19971567; BDBM50259212; 9-Amino-5,6-difluoro-3-oxo-3H-pyrido[3,2,1-kl]phenoxazine-2-carboxylic acid; amino-difluoro-oxo-[ ]carboxylic acid; NSC-648059; NCI60_016663; 3H-Pyrido[3,1-kl]phenoxazine-2-carboxylic acid, 9-amino -5,6-difluoro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648059	.	.	.	.	330.24	C16H8F2N2O4	92.9	613	2.7	24	2	8	1	"InChI=1S/C16H8F2N2O4/c17-9-4-7-13-15(12(9)18)24-11-3-6(19)1-2-10(11)20(13)5-8(14(7)21)16(22)23/h1-5H,19H2,(H,22,23)"	C1=CC2=C(C=C1N)OC3=C4N2C=C(C(=O)C4=CC(=C3F)F)C(=O)O	NOZQIQAUUCNHJI-UHFFFAOYSA-N
DG54328	"9-Phenyl-2-(2-pyridinylamino)-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one"	372627	"NSC648072; CHEMBL2003299; 9-Phenyl-2-(2-pyridinylamino)-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one; NSC-648072; NCI60_016669; 9-phenyl-2-(2-pyridylamino)-3H-pyrrolo[3,4-b]quinolin-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648072	.	.	.	.	352.4	C22H16N4O	58.1	534	4	27	1	4	3	"InChI=1S/C22H16N4O/c27-22-21-18(14-26(22)25-19-12-6-7-13-23-19)24-17-11-5-4-10-16(17)20(21)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,25)"	C1C2=NC3=CC=CC=C3C(=C2C(=O)N1NC4=CC=CC=N4)C5=CC=CC=C5	IHVCHYSBJJENRE-UHFFFAOYSA-N
DG54329	"Methyl 3-phenyl-3-(2-phenyl-1,3-dithiolan-2-yl)propanoate"	372634	"NSC648083; Methyl 3-phenyl-3-(2-phenyl-1,3-dithiolan-2-yl)propanoate; CHEMBL1980078; NSC-648083; NCI60_016672"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648083	.	.	.	.	344.5	C19H20O2S2	76.9	381	4.3	23	0	4	6	"InChI=1S/C19H20O2S2/c1-21-18(20)14-17(15-8-4-2-5-9-15)19(22-12-13-23-19)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3"	COC(=O)CC(C1=CC=CC=C1)C2(SCCS2)C3=CC=CC=C3	XJHLTJCCTLDNSI-UHFFFAOYSA-N
DG54330	"4-(2-Methyl-1,3-dithian-2-yl)dihydro-2(3H)-furanone"	372640	"NSC648094; 4-(2-Methyl-1,3-dithian-2-yl)dihydro-2(3H)-furanone; CHEMBL1988900; NSC-648094; NCI60_016680; 4-(2-methyl-1,3-dithian-2-yl)tetrahydrofuran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648094	.	.	.	.	218.3	C9H14O2S2	76.9	212	1.9	13	0	4	1	"InChI=1S/C9H14O2S2/c1-9(12-3-2-4-13-9)7-5-8(10)11-6-7/h7H,2-6H2,1H3"	CC1(SCCCS1)C2CC(=O)OC2	CLHPEMRNSBJEBR-UHFFFAOYSA-N
DG54331	"Methyl 4-(6-iodo-1,3-benzodioxol-5-yl)-2-(2-iodo-3,4,5-trimethoxybenzyl)-4-oxobutanoate"	372642	"NSC648096; Methyl 4-(6-iodo-1,3-benzodioxol-5-yl)-2-(2-iodo-3,4,5-trimethoxybenzyl)-4-oxobutanoate; CHEMBL1978431; NSC-648096; NCI60_016682; methyl 4-(6-iodo-1,3-benzodioxol-5-yl)-2-[(2-iodo-3,4,5-trimethoxy-phenyl)methyl]-4-oxo-butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648096	.	.	.	.	668.2	C22H22I2O8	89.5	649	4.4	32	0	8	10	"InChI=1S/C22H22I2O8/c1-27-18-7-11(19(24)21(29-3)20(18)28-2)5-12(22(26)30-4)6-15(25)13-8-16-17(9-14(13)23)32-10-31-16/h7-9,12H,5-6,10H2,1-4H3"	COC1=C(C(=C(C(=C1)CC(CC(=O)C2=CC3=C(C=C2I)OCO3)C(=O)OC)I)OC)OC	KNNVJBLVTPIQRO-UHFFFAOYSA-N
DG54332	"4-chloro-3,5-dimethyl-1-propoxy-2H-1lambda5-phosphinine 1-oxide"	372644	NSC648098; CHEMBL1972754; NSC-648098; NCI60_016684	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648098	.	.	.	.	234.66	C10H16ClO2P	26.3	331	1.3	14	0	2	3	"InChI=1S/C10H16ClO2P/c1-4-5-13-14(12)6-8(2)10(11)9(3)7-14/h6H,4-5,7H2,1-3H3"	CCCOP1(=O)CC(=C(C(=C1)C)Cl)C	IYSRVZSJQJHCMQ-UHFFFAOYSA-N
DG54333	"4-(Dichloromethylidene)-3,5-dimethyl-1-propan-2-yloxy-1lambda5-phosphinine 1-oxide"	372645	NSC648099; CHEMBL1965164; NSC-648099; NCI60_016685	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648099	.	.	.	.	281.11	C11H15Cl2O2P	26.3	403	2.1	16	0	2	2	"InChI=1S/C11H15Cl2O2P/c1-7(2)15-16(14)5-8(3)10(11(12)13)9(4)6-16/h5-7H,1-4H3"	CC1=CP(=O)(C=C(C1=C(Cl)Cl)C)OC(C)C	QKVYUTXWNAUOFB-UHFFFAOYSA-N
DG54334	"1-Butoxy-4-(dichloromethylidene)-3,5-dimethyl-1lambda5-phosphinine 1-oxide"	372646	NSC648100; CHEMBL1977743; NSC-648100; NCI60_016686	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648100	.	.	.	.	295.14	C12H17Cl2O2P	26.3	406	2.6	17	0	2	4	"InChI=1S/C12H17Cl2O2P/c1-4-5-6-16-17(15)7-9(2)11(12(13)14)10(3)8-17/h7-8H,4-6H2,1-3H3"	CCCCOP1(=O)C=C(C(=C(Cl)Cl)C(=C1)C)C	LGIVALBYJSDCTP-UHFFFAOYSA-N
DG54335	Antineoplastic-D648114	372647	NSC648114; CHEMBL1974289; ANTINEOPLASTIC-D648114; NSC-648114	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648114	.	.	.	.	587.7	C29H35F2N5O4S	115	1010	.	41	1	10	4	"InChI=1S/C28H31F2N5O.CH4O3S/c1-15-11-17(12-16(2)31-15)24-23(29)13-21-26-22(14-34(19-7-8-19)27(21)25(24)30)28(36)35(32-26)20-9-5-18(6-10-20)33(3)4;1-5(2,3)4/h11-14,18-20H,5-10H2,1-4H3;1H3,(H,2,3,4)"	CC1=CC(=CC(=N1)C)C2=C(C=C3C(=C2F)N(C=C4C3=NN(C4=O)C5CCC(CC5)N(C)C)C6CC6)F.CS(=O)(=O)O	JXOGZJFJYDAGNR-UHFFFAOYSA-N
DG54336	"6,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione"	372650	"NSC648147; 6,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione; 6,11-dimethylbenzo[a]carbazole-1,4-dione; CHEMBL1989409; NSC-648147; NCI60_016690"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648147	.	.	.	.	275.3	C18H13NO2	39.1	511	3.2	21	0	2	0	"InChI=1S/C18H13NO2/c1-10-9-12-14(20)7-8-15(21)17(12)18-16(10)11-5-3-4-6-13(11)19(18)2/h3-9H,1-2H3"	CC1=CC2=C(C(=O)C=CC2=O)C3=C1C4=CC=CC=C4N3C	PHQKWTSPLGTTCW-UHFFFAOYSA-N
DG54337	"5,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione"	372651	"NSC648148; 5,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione; 5,11-dimethylbenzo[a]carbazole-1,4-dione; CHEMBL1993734; NSC-648148; NCI60_016691"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648148	.	.	.	.	275.3	C18H13NO2	39.1	511	3.2	21	0	2	0	"InChI=1S/C18H13NO2/c1-10-9-12-11-5-3-4-6-13(11)19(2)18(12)17-15(21)8-7-14(20)16(10)17/h3-9H,1-2H3"	CC1=CC2=C(C3=C1C(=O)C=CC3=O)N(C4=CC=CC=C42)C	YVAHCKKXKKJSPD-UHFFFAOYSA-N
DG54338	"11-Methyl-5-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione"	372653	"NSC648150; 11-Methyl-5-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione; CHEMBL1999386; NSC-648150; NCI60_016693; 11-methyl-5-phenyl-benzo[a]carbazole-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648150	.	.	.	.	337.4	C23H15NO2	39.1	620	4.5	26	0	2	1	"InChI=1S/C23H15NO2/c1-24-18-10-6-5-9-15(18)17-13-16(14-7-3-2-4-8-14)21-19(25)11-12-20(26)22(21)23(17)24/h2-13H,1H3"	CN1C2=CC=CC=C2C3=CC(=C4C(=O)C=CC(=O)C4=C31)C5=CC=CC=C5	WLMXMMYUNSNZSZ-UHFFFAOYSA-N
DG54339	"6,12-Dimethyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione"	372654	"NSC648151; 6,12-Dimethyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione; 6,12-dimethylnaphtho[3,2-a]carbazole-5,13-dione; CHEMBL1964425; NSC-648151; NCI60_016694"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648151	.	.	.	.	325.4	C22H15NO2	39.1	587	4.6	25	0	2	0	"InChI=1S/C22H15NO2/c1-12-11-16-13-7-5-6-10-17(13)23(2)20(16)19-18(12)21(24)14-8-3-4-9-15(14)22(19)25/h3-11H,1-2H3"	CC1=CC2=C(C3=C1C(=O)C4=CC=CC=C4C3=O)N(C5=CC=CC=C52)C	JIQCZCPEXMBTSV-UHFFFAOYSA-N
DG54340	"12-Methyl-6-phenyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione"	372655	"NSC648152; 12-Methyl-6-phenyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione; CHEMBL1984414; NSC-648152; NCI60_016695; 12-methyl-6-phenyl-naphtho[3,2-a]carbazole-5,13-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648152	.	.	.	.	387.4	C27H17NO2	39.1	697	5.9	30	0	2	1	"InChI=1S/C27H17NO2/c1-28-22-14-8-7-11-17(22)21-15-20(16-9-3-2-4-10-16)23-24(25(21)28)27(30)19-13-6-5-12-18(19)26(23)29/h2-15H,1H3"	CN1C2=CC=CC=C2C3=CC(=C4C(=C31)C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6	BEDFEABQTLGSOK-UHFFFAOYSA-N
DG54341	"1-Phenyl-3H-[1,3]thiazolo[3,4-a]benzimidazole"	372671	"NSC648204; 1-Phenyl-3H-[1,3]thiazolo[3,4-a]benzimidazole; CHEMBL1975956; NSC-648204; NCI60_016708; 1-phenyl-1h,3h-thiazolo[3,4-a]benzimidazole; 1-phenyl-1,3-dihydrothiazolo[3,4-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648204	.	.	.	.	252.3	C15H12N2S	43.1	303	3.4	18	0	2	1	"InChI=1S/C15H12N2S/c1-2-6-11(7-3-1)15-17-13-9-5-4-8-12(13)16-14(17)10-18-15/h1-9,15H,10H2"	C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4	FNMNLCSQXMVRNM-UHFFFAOYSA-N
DG54342	"Benzaldehyde, 3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]-"	372673	"NSC648206; Benzaldehyde, 3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]-; CHEMBL1969536; NSC-648206; 3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]benzaldehyde; NCI60_016710"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648206	.	.	.	.	418.5	C21H22O7S	97.8	577	3.1	29	0	8	6	"InChI=1S/C21H22O7S/c1-21(28-5-6-29-21)14-9-16-15(26-11-27-16)8-13(14)18-12(10-22)7-17(23-2)19(24-3)20(18)25-4/h7-10H,5-6,11H2,1-4H3"	CC1(OCCS1)C2=CC3=C(C=C2C4=C(C(=C(C=C4C=O)OC)OC)OC)OCO3	FUPMCOHFJPKVFD-UHFFFAOYSA-N
DG54343	"Dimethyl 2-[[3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]phenyl]methylene]propanedioate"	372674	"NSC648207; CHEMBL2002744; NSC-648207; NCI60_016711; Propanedioic acid, [[3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]phenyl]methylene]-, dimethyl ester; dimethyl 2-[[3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]phenyl]methylene]propanedioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648207	.	.	.	.	532.6	C26H28O10S	133	833	4	37	0	11	10	"InChI=1S/C26H28O10S/c1-26(36-7-8-37-26)17-12-19-18(34-13-35-19)11-15(17)21-14(9-16(24(27)32-5)25(28)33-6)10-20(29-2)22(30-3)23(21)31-4/h9-12H,7-8,13H2,1-6H3"	CC1(OCCS1)C2=CC3=C(C=C2C4=C(C(=C(C=C4C=C(C(=O)OC)C(=O)OC)OC)OC)OC)OCO3	IEWNSBIWRVXBKO-UHFFFAOYSA-N
DG54344	"9-Methyl-4-(1-methylindol-2-yl)-1,2,3,4-tetrahydrocarbazole"	372678	"NSC648211; CHEMBL1969844; 9-methyl-4-(1-methylindol-2-yl)-1,2,3,4-tetrahydrocarbazole; 9-Methyl-4-(1-methyl-1H-indol-2-yl)-2,3,4,9-tetrahydro-1H-carbazole; NSC-648211; NCI60_016715"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648211	.	.	.	.	314.4	C22H22N2	9.9	463	4.6	24	0	0	1	"InChI=1S/C22H22N2/c1-23-18-11-5-3-8-15(18)14-21(23)17-10-7-13-20-22(17)16-9-4-6-12-19(16)24(20)2/h3-6,8-9,11-12,14,17H,7,10,13H2,1-2H3"	CN1C2=C(C(CCC2)C3=CC4=CC=CC=C4N3C)C5=CC=CC=C51	KYLCCIGFJWPEHU-UHFFFAOYSA-N
DG54345	"1,2-Di(1H-indol-2-yl)-1,2-ethanedione"	372680	"NSC648213; indolyl diketone; 1,2-Di(1H-indol-2-yl)-1,2-ethanedione; 1,2-bis(1H-indol-2-yl)ethane-1,2-dione; CHEMBL1975432; NSC-648213; NCI60_016717"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648213	.	.	.	.	288.3	C18H12N2O2	65.7	422	3.8	22	2	2	3	"InChI=1S/C18H12N2O2/c21-17(15-9-11-5-1-3-7-13(11)19-15)18(22)16-10-12-6-2-4-8-14(12)20-16/h1-10,19-20H"	C1=CC=C2C(=C1)C=C(N2)C(=O)C(=O)C3=CC4=CC=CC=C4N3	XNSZILUICZBHAK-UHFFFAOYSA-N
DG54346	"3-(((Cyclohexylamino)carbonyl)oxy)-4-methyl-1,3-thiazole-2(3H)-thione"	372703	"NSC648263; CHEMBL1964959; 3-(((Cyclohexylamino)carbonyl)oxy)-4-methyl-1,3-thiazole-2(3H)-thione; NSC-648263; NCI60_016733; (4-methyl-2-thioxo-thiazol-3-yl) N-cyclohexylcarbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648263	.	.	.	.	272.4	C11H16N2O2S2	99	351	3.1	17	1	4	3	"InChI=1S/C11H16N2O2S2/c1-8-7-17-11(16)13(8)15-10(14)12-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,12,14)"	CC1=CSC(=S)N1OC(=O)NC2CCCCC2	YWIGSPQBYOGMRD-UHFFFAOYSA-N
DG54347	"4-Methyl-N-((2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)carbonyl)benzenesulfonamide"	372720	"NSC648303; CHEMBL1990906; ZINC1630821; NSC-648303; 4-Methyl-N-((2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)carbonyl)benzenesulfonamide; NCI60_016746; 2,2,4,4-tetraoxo-N-(p-tolylsulfonyl)-1,5,2,4-dioxadithiepane-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648303	.	.	.	.	399.4	C11H13NO9S3	175	739	0.4	24	1	9	3	"InChI=1S/C11H13NO9S3/c1-8-2-4-9(5-3-8)22(14,15)12-10(13)11-23(16,17)20-6-7-21-24(11,18)19/h2-5,11H,6-7H2,1H3,(H,12,13)"	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2S(=O)(=O)OCCOS2(=O)=O	NHNCIJHSSINQEP-UHFFFAOYSA-N
DG54348	"3,3-Dibromo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide"	372721	"NSC648304; 3,3-Dibromo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide; SCHEMBL706773; CHEMBL1979963; ZINC73242832; NSC-648304; NCI60_016747"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648304	.	.	.	.	360	C3H4Br2O6S2	104	345	0.5	13	0	6	0	"InChI=1S/C3H4Br2O6S2/c4-3(5)12(6,7)10-1-2-11-13(3,8)9/h1-2H2"	C1COS(=O)(=O)C(S(=O)(=O)O1)(Br)Br	AAIAQPAOSBKULH-UHFFFAOYSA-N
DG54349	"3-Bromo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide"	372722	"NSC648305; 3-Bromo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide; SCHEMBL707433; CHEMBL1978902; ZINC73257813; NSC-648305; NCI60_016748"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648305	.	.	.	.	281.1	C3H5BrO6S2	104	307	-0.1	12	0	6	0	"InChI=1S/C3H5BrO6S2/c4-3-11(5,6)9-1-2-10-12(3,7)8/h3H,1-2H2"	C1COS(=O)(=O)C(S(=O)(=O)O1)Br	BVKYBJRXHXMTSV-UHFFFAOYSA-N
DG54350	Saprothoquinone	372741	"Saprothoquinone; Saprorthoquinone; NSC648341; 7-methyl-8-(4-methylpent-3-enyl)-3-propan-2-ylnaphthalene-1,2-dione; 102607-41-0; CHEMBL328673; ZINC1630835; 3-Isopropyl-7-methyl-8-(4-methyl-3-pentenyl)-1,2-naphthalenedione; NSC-648341; NCI60_016773; 3-isopropyl-7-methyl-8-(4-methylpent-3-enyl)naphthalene-1,2-dione; 3-Isopropyl-7-methyl-8-(4-methyl-3-pentenyl)-1,2-dihydronaphthalene-1,2-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648341	.	.	.	.	296.4	C20H24O2	34.1	506	5.2	22	0	2	4	"InChI=1S/C20H24O2/c1-12(2)7-6-8-16-14(5)9-10-15-11-17(13(3)4)19(21)20(22)18(15)16/h7,9-11,13H,6,8H2,1-5H3"	CC1=C(C2=C(C=C1)C=C(C(=O)C2=O)C(C)C)CCC=C(C)C	FWJDKZSXXFWHPR-UHFFFAOYSA-N
DG54351	NSC648405	372781	"12-(4-Methylphenyl)sulfonyl-2,9,14,21-tetrazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaen-11-amine; NSC648405; CHEMBL1966627; NSC-648405; NCI60_016798; 7-((4-Methylphenyl)sulfonyl)benzimidazo[2',1':6,1]pyrido[2,3-b]quinoxalin-6-amine; 7-((4-Methylphenyl)sulfonyl)benzimidazo[2',1':6,1]pyrido[2,3-b]quinoxalin-6-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648405	.	.	.	.	439.5	C24H17N5O2S	112	795	5	32	1	6	2	"InChI=1S/C24H17N5O2S/c1-14-10-12-15(13-11-14)32(30,31)22-20(25)23-28-18-8-4-5-9-19(18)29(23)24-21(22)26-16-6-2-3-7-17(16)27-24/h2-13H,25H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=NC4=CC=CC=C4N3C5=NC6=CC=CC=C6N=C25)N	XVENTCJALKLFPV-UHFFFAOYSA-N
DG54352	"1-(2-(1H-Indol-3-yl)ethyl)-1,2,5,6-tetrahydro-3-pyridinecarbaldehyde"	372783	"NSC648407; 1-(2-(1H-Indol-3-yl)ethyl)-1,2,5,6-tetrahydro-3-pyridinecarbaldehyde; CHEMBL1969348; 1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carbaldehyde; NSC-648407; NCI60_016800"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648407	.	.	.	.	254.33	C16H18N2O	36.1	353	2.4	19	1	2	4	"InChI=1S/C16H18N2O/c19-12-13-4-3-8-18(11-13)9-7-14-10-17-16-6-2-1-5-15(14)16/h1-2,4-6,10,12,17H,3,7-9,11H2"	C1CN(CC(=C1)C=O)CCC2=CNC3=CC=CC=C32	QAYBKWJRBLLGEK-UHFFFAOYSA-N
DG54353	"1-(6-Phenyl-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone"	372796	"NSC648419; 1-(6-Phenyl-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone; NCIMech_000673; CHEMBL1973942; ZINC1630894; CCG-35980; NSC-648419; NCI60_016809"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648419	.	.	.	.	406.4	C24H22O6	63.2	548	4.6	30	0	6	7	"InChI=1S/C24H22O6/c1-26-22-10-15(11-23(27-2)24(22)28-3)9-19(25)18-13-21-20(29-14-30-21)12-17(18)16-7-5-4-6-8-16/h4-8,10-13H,9,14H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)CC(=O)C2=CC3=C(C=C2C4=CC=CC=C4)OCO3	JSDRRPNJIFUHDD-UHFFFAOYSA-N
DG54354	"5-(4-Bromophenyl)-6-(1,3-dithiolan-2-yl)-1,3-benzodioxole"	372798	"NSC648421; 5-(4-Bromophenyl)-6-(1,3-dithiolan-2-yl)-1,3-benzodioxole; CHEMBL2000356; ZINC1630896; NSC-648421; NCI60_016811"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648421	.	.	.	.	381.3	C16H13BrO2S2	69.1	356	5.1	21	0	4	2	"InChI=1S/C16H13BrO2S2/c17-11-3-1-10(2-4-11)12-7-14-15(19-9-18-14)8-13(12)16-20-5-6-21-16/h1-4,7-8,16H,5-6,9H2"	C1CSC(S1)C2=CC3=C(C=C2C4=CC=C(C=C4)Br)OCO3	MEIILGLHUWIVLW-UHFFFAOYSA-N
DG54355	"1,2,3,6-Tetramethoxyphenanthro[2,3-d][1,3]dioxole"	372801	"NSC648424; 1,2,3,6-Tetramethoxyphenanthro[2,3-d][1,3]dioxole; 1,2,3,6-tetramethoxynaphtho[2,1-f][1,3]benzodioxole; CHEMBL1988895; SCHEMBL21379724; NSC-648424; NCI60_016814"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648424	.	.	.	.	342.3	C19H18O6	55.4	459	4.1	25	0	6	4	"InChI=1S/C19H18O6/c1-20-13-5-10-6-16(21-2)18(22-3)19(23-4)17(10)12-8-15-14(7-11(12)13)24-9-25-15/h5-8H,9H2,1-4H3"	COC1=CC2=CC(=C3C=C4C(=CC3=C2C(=C1OC)OC)OCO4)OC	VEMAQVIELLSCKY-UHFFFAOYSA-N
DG54356	NSC648489	372828	"(5S)-5-[4-(dimethylamino)-N-methylanilino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride; NSC648489; NSC-648489"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648489	.	.	.	.	569	C30H33ClN2O7	89.9	852	.	40	2	9	6	"InChI=1S/C30H32N2O7.ClH/c1-31(2)17-6-8-18(9-7-17)32(3)28-20-13-23-22(38-15-39-23)12-19(20)26(27-21(28)14-37-30(27)34)16-10-24(35-4)29(33)25(11-16)36-5;/h6-13,21,26-28,33H,14-15H2,1-5H3;1H/t21 ,26 ,27 ,28-;/m1./s1"	CN(C)C1=CC=C(C=C1)N(C)[C@H]2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC.Cl	PLPGHVSWAOUNEL-CTIUGHHFSA-N
DG54357	NSC648490	372830	"(5S,5aS)-5-(dimethylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride; NSC648490; NSC-648490"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648490	.	.	.	.	463.9	C23H26ClNO7	86.7	660	.	32	2	8	4	"InChI=1S/C23H25NO7.ClH/c1-24(2)21-13-8-16-15(30-10-31-16)7-12(13)19(20-14(21)9-29-23(20)26)11-5-17(27-3)22(25)18(6-11)28-4;/h5-8,14,19-21,25H,9-10H2,1-4H3;1H/t14-,19 ,20 ,21+;/m0./s1"	CN(C)[C@H]1[C@H]2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC.Cl	KDUXNNHTCHNIMH-LNGTUHNESA-N
DG54358	"Ethyl 2-methyl-1-(4-methylphenyl)-5-oxo-4,6,7-triphenyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate"	372843	"NSC648535; CHEMBL1981385; NSC-648535; Ethyl 2-methyl-1-(4-methylphenyl)-5-oxo-4,6,7-triphenyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate; NCI60_016847; ethyl 2-methyl-5-oxo-4,6,7-triphenyl-1-(p-tolyl)-4,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648535	.	.	.	.	540.6	C36H32N2O3	49.8	1020	7	41	0	4	7	"InChI=1S/C36H32N2O3/c1-4-41-36(40)30-25(3)37(29-22-20-24(2)21-23-29)34-32(31(30)26-14-8-5-9-15-26)35(39)38(28-18-12-7-13-19-28)33(34)27-16-10-6-11-17-27/h5-23,31,33H,4H2,1-3H3"	CCOC(=O)C1=C(N(C2=C(C1C3=CC=CC=C3)C(=O)N(C2C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C)C	CBGKKIUWQREWJM-UHFFFAOYSA-N
DG54359	"4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride"	372855	"151222-02-5; 4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride; 4-Methoxy-N-(3,4,5-trimethoxybenzyl)aniline hydrochloride; NSC648543; 4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline;hydrochloride; CHEMBL98235; SCHEMBL9190286; DTXSID80934197; NSC-648543; N-(3,5-Trimethoxybenzyl)-4-methoxyaniline hydrochloride; 4-Methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648543	.	.	.	.	339.8	C17H22ClNO4	49	293	.	23	2	5	7	"InChI=1S/C17H21NO4.ClH/c1-19-14-7-5-13(6-8-14)18-11-12-9-15(20-2)17(22-4)16(10-12)21-3;/h5-10,18H,11H2,1-4H3;1H"	COC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC.Cl	LPQHSPCKVORGKS-UHFFFAOYSA-N
DG54360	"1-((4-Methylphenyl)sulfonyl)-2-(2-methyl-1-propenyl)-1,2,3,4-tetrahydroquinoline"	372862	"NSC648552; 1-((4-Methylphenyl)sulfonyl)-2-(2-methyl-1-propenyl)-1,2,3,4-tetrahydroquinoline; CHEMBL1990417; NSC-648552; NCI60_016855; 1,2,3,4-Tetrahydro-2-(2-methyl-1-propenyl)-1-tosylquinoline; 2-(2-methylprop-1-enyl)-1-(p-tolylsulfonyl)-3,4-dihydro-2H-quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648552	.	.	.	.	341.5	C20H23NO2S	45.8	551	4.9	24	0	3	3	"InChI=1S/C20H23NO2S/c1-15(2)14-18-11-10-17-6-4-5-7-20(17)21(18)24(22,23)19-12-8-16(3)9-13-19/h4-9,12-14,18H,10-11H2,1-3H3"	CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC3=CC=CC=C32)C=C(C)C	DFGWDORZGHNHKH-UHFFFAOYSA-N
DG54361	"1-((4-Methylphenyl)sulfonyl)-2,3-diphenyl-1H-indole"	372863	"NSC648553; 1-((4-Methylphenyl)sulfonyl)-2,3-diphenyl-1H-indole; CHEMBL1984897; 1-Tosyl-2,3-diphenyl-1H-indole; NSC-648553; 2,3-diphenyl-1-(p-tolylsulfonyl)indole; NCI60_016856"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648553	.	.	.	.	423.5	C27H21NO2S	47.4	681	6.9	31	0	2	4	"InChI=1S/C27H21NO2S/c1-20-16-18-23(19-17-20)31(29,30)28-25-15-9-8-14-24(25)26(21-10-4-2-5-11-21)27(28)22-12-6-3-7-13-22/h2-19H,1H3"	CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2C4=CC=CC=C4)C5=CC=CC=C5	REJLZBHFAFIOFB-UHFFFAOYSA-N
DG54362	"Spiro[cyclohexane-1,2'-[2H]indole], 1',3'-dihydro-3'-methylene-1'-[(4-methylphenyl)sulfonyl]-"	372868	"NSC648558; Spiro[cyclohexane-1,2'-[2H]indole], 1',3'-dihydro-3'-methylene-1'-[(4-methylphenyl)sulfonyl]-; CHEMBL2007105; NSC-648558; NCI60_016861; 3'-methylene-1'-(p-tolylsulfonyl)spiro[cyclohexane-1,2'-indoline]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648558	.	.	.	.	353.5	C21H23NO2S	45.8	606	4.6	25	0	3	2	"InChI=1S/C21H23NO2S/c1-16-10-12-18(13-11-16)25(23,24)22-20-9-5-4-8-19(20)17(2)21(22)14-6-3-7-15-21/h4-5,8-13H,2-3,6-7,14-15H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C)C24CCCCC4	AOVWDICCTXSEKU-UHFFFAOYSA-N
DG54363	"2-Methoxy-5-(3,4,5-trimethoxybenzyl)phenol"	372869	"CHEMBL10121; 2-methoxy-5-(3,4,5-trimethoxybenzyl)phenol; NSC648581; Neuro_000355; ZINC1630963; BDBM50212289; NSC-648581; NCI60_016862"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648581	.	.	.	.	304.34	C17H20O5	57.2	310	3.4	22	1	5	6	"InChI=1S/C17H20O5/c1-19-14-6-5-11(8-13(14)18)7-12-9-15(20-2)17(22-4)16(10-12)21-3/h5-6,8-10,18H,7H2,1-4H3"	COC1=C(C=C(C=C1)CC2=CC(=C(C(=C2)OC)OC)OC)O	JFZDWXGLUXEEAY-UHFFFAOYSA-N
DG54364	"N-(4-Ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide"	372886	"NSC648598; CHEMBL1966228; NSC-648598; N-(4-Ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide; NCI60_016879; 2-(1,3-dioxo-4H-1$l^{4},4-benzothiazin-2-yl)-N-(4-ethoxyphenyl)-2-oxo-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648598	.	.	.	.	372.4	C18H16N2O5S	121	588	1.5	26	2	6	5	"InChI=1S/C18H16N2O5S/c1-2-25-12-9-7-11(8-10-12)19-17(22)15(21)16-18(23)20-13-5-3-4-6-14(13)26(16)24/h3-10,16H,2H2,1H3,(H,19,22)(H,20,23)"	CCOC1=CC=C(C=C1)NC(=O)C(=O)C2C(=O)NC3=CC=CC=C3S2=O	WSIBVDIYOZHPHF-UHFFFAOYSA-N
DG54365	"Methyl 5-(2-acetylanilino)-3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate"	372893	"NSC648605; NSC-648605; CHEMBL1642693; NCI60_016886; Methyl 5-(2-acetylanilino)-3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate; methyl 5-(2-acetylanilino)-3-(6-benzoyl-3-hydroxy-quinoxalin-2-yl)-2,4,5-trioxo-pentanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648605	.	.	.	.	539.5	C29H21N3O8	165	1110	3.2	40	2	9	10	"InChI=1S/C29H21N3O8/c1-15(33)18-10-6-7-11-19(18)31-28(38)25(35)22(26(36)29(39)40-2)23-27(37)32-21-14-17(12-13-20(21)30-23)24(34)16-8-4-3-5-9-16/h3-14,22H,1-2H3,(H,31,38)(H,32,37)"	CC(=O)C1=CC=CC=C1NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O)C(=O)C(=O)OC	PAGWXNAUMPSWID-UHFFFAOYSA-N
DG54366	"Methyl 2-{[3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-methoxy-2,4,5-trioxopentanoyl]amino}benzoate"	372897	"NSC648609; CHEMBL1970705; NSC-648609; NCI60_016890; methyl 2-[[3-(6-benzoyl-3-hydroxy-quinoxalin-2-yl)-5-methoxy-2,4,5-trioxo-pentanoyl]amino]benzoate; Methyl 2-{[3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-methoxy-2,4,5-trioxopentanoyl]amino}benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648609	.	.	.	.	555.5	C29H21N3O9	174	1130	3.3	41	2	10	11	"InChI=1S/C29H21N3O9/c1-40-28(38)17-10-6-7-11-18(17)31-27(37)24(34)21(25(35)29(39)41-2)22-26(36)32-20-14-16(12-13-19(20)30-22)23(33)15-8-4-3-5-9-15/h3-14,21H,1-2H3,(H,31,37)(H,32,36)"	COC(=O)C1=CC=CC=C1NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O)C(=O)C(=O)OC	WXEKURFGFTYXMX-UHFFFAOYSA-N
DG54367	3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2-nitrophenyl)-2-oxopropanamide	372898	NSC648610; CHEMBL1978772; ZINC16958153; AKOS024423374; MCULE-6138811924; NSC-648610; NCI60_016891; 3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2-(hydroxy(oxido)amino)phenyl)-2-oxopropanamide; 3-(6-BENZOYL-3-HYDROXY-2-QUINOXALINYL)-N-(2-NITROPHENYL)-2-OXOPROPANAMIDE; 3-(6-benzoyl-3-hydroxy-quinoxalin-2-yl)-N-(2-nitrophenyl)-2-oxo-propanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648610	.	.	.	.	456.4	C24H16N4O6	151	875	3.3	34	2	7	6	"InChI=1S/C24H16N4O6/c29-21(24(32)26-17-8-4-5-9-20(17)28(33)34)13-19-23(31)27-18-12-15(10-11-16(18)25-19)22(30)14-6-2-1-3-7-14/h1-12H,13H2,(H,26,32)(H,27,31)"	C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=O)N3)CC(=O)C(=O)NC4=CC=CC=C4[N+](=O)[O-]	UQWYHDAVYLDOCZ-UHFFFAOYSA-N
DG54368	"Methyl 3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-[(3,4-dichlorophenyl)amino]-2,4,5-trioxopentanoate"	372901	"NSC648613; CHEMBL1967471; NSC-648613; NCI60_016894; methyl 3-(6-benzoyl-3-hydroxy-quinoxalin-2-yl)-5-(3,4-dichloroanilino)-2,4,5-trioxo-pentanoate; Methyl 3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-[(3,4-dichlorophenyl)amino]-2,4,5-trioxopentanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648613	.	.	.	.	566.3	C27H17Cl2N3O7	148	1060	4.2	39	2	8	9	"InChI=1S/C27H17Cl2N3O7/c1-39-27(38)24(35)20(23(34)26(37)30-15-8-9-16(28)17(29)12-15)21-25(36)32-19-11-14(7-10-18(19)31-21)22(33)13-5-3-2-4-6-13/h2-12,20H,1H3,(H,30,37)(H,32,36)"	COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)NC1=O)C(=O)C(=O)NC4=CC(=C(C=C4)Cl)Cl	ZMPULCWOJZYSCO-UHFFFAOYSA-N
DG54369	"Methyl 4-(2-tert-butyl-6-methylanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate"	372915	"NSC648627; CHEMBL1997712; NSC-648627; Methyl 4-(2-tert-butyl-6-methylanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate; NCI60_016907; methyl 4-(2-tert-butyl-6-methyl-anilino)-2-(6-chloro-3-hydroxy-quinoxalin-2-yl)-3,4-dioxo-butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648627	.	.	.	.	469.9	C24H24ClN3O5	114	836	4.4	33	2	6	7	"InChI=1S/C24H24ClN3O5/c1-12-7-6-8-14(24(2,3)4)18(12)28-22(31)20(29)17(23(32)33-5)19-21(30)27-16-11-13(25)9-10-15(16)26-19/h6-11,17H,1-5H3,(H,27,30)(H,28,31)"	CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)OC	ITBXDEYYSLVXDZ-UHFFFAOYSA-N
DG54370	2-[[3-Nitro-3-(7-nitroquinoxalin-2-yl)-2-oxo-propanoyl]amino]benzamide	372916	NSC648628; CHEMBL1986197; NSC-648628; NCI60_016908; 2-[[3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxo-propanoyl]amino]benzamide; 2-((3-(Hydroxy(oxido)amino)-3-(7-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-oxopropanoyl)amino)benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648628	.	.	.	.	424.3	C18H12N6O7	207	751	1.3	31	2	9	5	"InChI=1S/C18H12N6O7/c19-17(26)10-3-1-2-4-11(10)22-18(27)16(25)15(24(30)31)14-8-20-12-6-5-9(23(28)29)7-13(12)21-14/h1-8,15H,(H2,19,26)(H,22,27)"	C1=CC=C(C(=C1)C(=O)N)NC(=O)C(=O)C(C2=CN=C3C=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]	PABIZHZGHAGZJJ-UHFFFAOYSA-N
DG54371	"N-(2,5-dimethylphenyl)-3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxo-propanamide"	372921	"NSC648633; CHEMBL2003120; NSC-648633; NCI60_016913; N-(2,5-dimethylphenyl)-3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxo-propanamide; N-(2,5-Dimethylphenyl)-3-(hydroxy(oxido)amino)-3-(7-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-oxopropanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648633	.	.	.	.	409.4	C19H15N5O6	164	692	2.6	30	1	8	4	"InChI=1S/C19H15N5O6/c1-10-3-4-11(2)14(7-10)22-19(26)18(25)17(24(29)30)16-9-20-13-6-5-12(23(27)28)8-15(13)21-16/h3-9,17H,1-2H3,(H,22,26)"	CC1=CC(=C(C=C1)C)NC(=O)C(=O)C(C2=CN=C3C=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]	YXWSTVMWRYIPNV-UHFFFAOYSA-N
DG54372	"Dimethyl 2-((2,6-dichloro-4-(hydroxy(oxido)amino)anilino)(oxo)acetyl)-3-oxosuccinate"	372932	"NSC648644; CHEMBL1992070; NSC-648644; NCI60_016924; Dimethyl 2-((2,6-dichloro-4-(hydroxy(oxido)amino)anilino)(oxo)acetyl)-3-oxosuccinate; dimethyl 2-[2-(2,6-dichloro-4-nitro-anilino)-2-oxo-acetyl]-3-oxo-butanedioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648644	.	.	.	.	421.1	C14H10Cl2N2O9	162	652	2.1	27	1	9	8	"InChI=1S/C14H10Cl2N2O9/c1-26-13(22)8(11(20)14(23)27-2)10(19)12(21)17-9-6(15)3-5(18(24)25)4-7(9)16/h3-4,8H,1-2H3,(H,17,21)"	COC(=O)C(C(=O)C(=O)NC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl)C(=O)C(=O)OC	DADXGQMAOSSLEK-UHFFFAOYSA-N
DG54373	"Methyl 4-(2-chloro-5-(trifluoromethyl)anilino)-2-((3-hydroxy-2-quinoxalinyl)methyl)-3,4-dioxobutanoate"	372936	"NSC648648; CHEMBL1999817; NSC-648648; Methyl 4-(2-chloro-5-(trifluoromethyl)anilino)-2-((3-hydroxy-2-quinoxalinyl)methyl)-3,4-dioxobutanoate; NCI60_016928; methyl 4-[2-chloro-5-(trifluoromethyl)anilino]-2-[(3-hydroxyquinoxalin-2-yl)methyl]-3,4-dioxo-butanoate; Methyl-4-(2-chloro-5-(trifluoromethyl)phenyl amino)-2-((3-hydroxyquinoxalin-2-yl)methyl)-3,4-dioxobutanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648648	.	.	.	.	481.8	C21H15ClF3N3O5	114	835	2.9	33	2	9	7	"InChI=1S/C21H15ClF3N3O5/c1-33-20(32)11(9-16-18(30)27-14-5-3-2-4-13(14)26-16)17(29)19(31)28-15-8-10(21(23,24)25)6-7-12(15)22/h2-8,11H,9H2,1H3,(H,27,30)(H,28,31)"	COC(=O)C(CC1=NC2=CC=CC=C2NC1=O)C(=O)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl	YDNCGIHJMIZJEE-UHFFFAOYSA-N
DG54374	Antineoplastic-648770	372982	NSC648770; ANTINEOPLASTIC-648770; NSC-648770; NCI60_016955	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648770	.	.	.	.	512	C27H26ClNO5S	99.2	894	4	35	1	6	6	"InChI=1S/C27H26ClNO5S/c1-32-22-13-16-7-11-20(29-27(31)15-5-8-17(28)9-6-15)19-14-21(30)23(35-4)12-10-18(19)24(16)26(34-3)25(22)33-2/h5-6,8-10,12-14,20H,7,11H2,1-4H3,(H,29,31)"	COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=C(C=C4)Cl)OC)OC	DZYSZHGXUOUTSB-UHFFFAOYSA-N
DG54375	Antineoplastic-648771	372983	NSC648771; ANTINEOPLASTIC-648771; NSC-648771; NCI60_016956	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648771	.	.	.	.	567.7	C30H33NO8S	127	998	3.3	40	1	9	9	"InChI=1S/C30H33NO8S/c1-34-22-13-17(14-23(35-2)27(22)37-4)30(33)31-20-10-8-16-12-24(36-3)28(38-5)29(39-6)26(16)18-9-11-25(40-7)21(32)15-19(18)20/h9,11-15,20H,8,10H2,1-7H3,(H,31,33)"	COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC	YLEQOBFRJJEUHL-UHFFFAOYSA-N
DG54376	Antineoplastic-648773	372985	NSC648773; ANTINEOPLASTIC-648773; NSC-648773; NCI60_016958	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648773	.	.	.	.	502.6	C28H26N2O5S	123	987	3.1	36	1	7	6	"InChI=1S/C28H26N2O5S/c1-33-23-13-18-9-11-21(30-28(32)17-7-5-16(15-29)6-8-17)20-14-22(31)24(36-4)12-10-19(20)25(18)27(35-3)26(23)34-2/h5-8,10,12-14,21H,9,11H2,1-4H3,(H,30,32)"	COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=C(C=C4)C#N)OC)OC	BJBKMILMAFQOJV-UHFFFAOYSA-N
DG54377	"(4-Fluorophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate"	372986	NSC648774; CHEMBL1993330; NSC-648774; NCI60_016959	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648774	.	.	.	.	496.5	C27H25FO6S	96.4	890	4.5	35	0	8	8	"InChI=1S/C27H25FO6S/c1-31-22-12-16-11-15(13-24(30)34-18-7-5-17(28)6-8-18)20-14-21(29)23(35-4)10-9-19(20)25(16)27(33-3)26(22)32-2/h5-10,12,14-15H,11,13H2,1-4H3"	COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC=C(C=C4)F)OC)OC	KALNLOJBUCRQOO-UHFFFAOYSA-N
DG54378	"(4-Methoxyphenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate"	372987	NSC648775; CHEMBL1984428; NSC-648775; NCI60_016960	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648775	.	.	.	.	508.6	C28H28O7S	106	902	4.4	36	0	8	9	"InChI=1S/C28H28O7S/c1-31-18-6-8-19(9-7-18)35-25(30)14-16-12-17-13-23(32-2)27(33-3)28(34-4)26(17)20-10-11-24(36-5)22(29)15-21(16)20/h6-11,13,15-16H,12,14H2,1-5H3"	COC1=CC=C(C=C1)OC(=O)CC2CC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC	LMLLUQXQQCGHHQ-UHFFFAOYSA-N
DG54379	Antineoplastic-648776	372988	NSC648776; CHEMBL1989579; ANTINEOPLASTIC-648776; NSC-648776; NCI60_016961	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648776	.	.	.	.	496.5	C27H25FO6S	96.4	898	4.5	35	0	8	8	"InChI=1S/C27H25FO6S/c1-31-22-12-16-11-15(13-24(30)34-21-8-6-5-7-19(21)28)18-14-20(29)23(35-4)10-9-17(18)25(16)27(33-3)26(22)32-2/h5-10,12,14-15H,11,13H2,1-4H3"	COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC=CC=C4F)OC)OC	FEGJGLIUPNMDQR-UHFFFAOYSA-N
DG54380	Antineoplastic-648778	372990	NSC648778; CHEMBL2007347; ANTINEOPLASTIC-648778; NSC-648778; NCI60_016963	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648778	.	.	.	.	523.6	C27H25NO8S	142	977	4.3	37	0	9	8	"InChI=1S/C27H25NO8S/c1-33-22-12-16-11-15(13-24(30)36-18-7-5-17(6-8-18)28(31)32)20-14-21(29)23(37-4)10-9-19(20)25(16)27(35-3)26(22)34-2/h5-10,12,14-15H,11,13H2,1-4H3"	COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC=C(C=C4)[N+](=O)[O-])OC)OC	VZUKFDZKSHWIIL-UHFFFAOYSA-N
DG54381	"(3-Cyanophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate"	372991	NSC648779; CHEMBL1976078; NSC-648779; NCI60_016964	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648779	.	.	.	.	503.6	C28H25NO6S	120	993	4.1	36	0	8	8	"InChI=1S/C28H25NO6S/c1-32-23-12-18-11-17(13-25(31)35-19-7-5-6-16(10-19)15-29)21-14-22(30)24(36-4)9-8-20(21)26(18)28(34-3)27(23)33-2/h5-10,12,14,17H,11,13H2,1-4H3"	COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC=CC(=C4)C#N)OC)OC	YWIZEUWFWOOXOJ-UHFFFAOYSA-N
DG54382	Antineoplastic-648780	372992	"CHEMBL153629; NSC648780; ANTINEOPLASTIC-648780; BDBM50469828; NSC-648780; NCI60_016965; 5,6-Dihydro-6-methylene-1,2,3-trimethoxy-9-(methylthio)-8H-cyclohepta[a]naphthalen-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648780	.	.	.	.	356.4	C20H20O4S	70.1	661	2.6	25	0	5	4	"InChI=1S/C20H20O4S/c1-11-8-12-9-16(22-2)19(23-3)20(24-4)18(12)13-6-7-17(25-5)15(21)10-14(11)13/h6-7,9-10H,1,8H2,2-5H3"	COC1=C(C(=C2C(=C1)CC(=C)C3=CC(=O)C(=CC=C32)SC)OC)OC	FUYPJTCITNJHCZ-UHFFFAOYSA-N
DG54383	"(3-Nitrophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate"	372993	NSC648781; CHEMBL2000064; NSC-648781; NCI60_016966	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648781	.	.	.	.	523.6	C27H25NO8S	142	985	4.3	37	0	9	8	"InChI=1S/C27H25NO8S/c1-33-22-11-16-10-15(12-24(30)36-18-7-5-6-17(13-18)28(31)32)20-14-21(29)23(37-4)9-8-19(20)25(16)27(35-3)26(22)34-2/h5-9,11,13-15H,10,12H2,1-4H3"	COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC=CC(=C4)[N+](=O)[O-])OC)OC	FMMDBKJNHOXPHT-UHFFFAOYSA-N
DG54384	Antineoplastic-648784	372996	NSC648784; ANTINEOPLASTIC-648784; NSC-648784; NCI60_016969	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648784	.	.	.	.	488.6	C28H28N2O4S	106	911	3.1	35	1	7	7	"InChI=1S/C28H28N2O4S/c1-32-24-13-19-9-11-22(30-16-18-7-5-17(15-29)6-8-18)21-14-23(31)25(35-4)12-10-20(21)26(19)28(34-3)27(24)33-2/h5-8,10,12-14,22,30H,9,11,16H2,1-4H3"	COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NCC4=CC=C(C=C4)C#N)OC)OC	PEHBKWRZINGKCK-UHFFFAOYSA-N
DG54385	Antineoplastic-648785	372997	NSC648785; ANTINEOPLASTIC-648785; NSC-648785; NCI60_016970	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648785	.	.	.	.	508.6	C27H28N2O6S	128	912	3.2	36	1	8	7	"InChI=1S/C27H28N2O6S/c1-33-23-13-17-8-10-21(28-15-16-6-5-7-18(12-16)29(31)32)20-14-22(30)24(36-4)11-9-19(20)25(17)27(35-3)26(23)34-2/h5-7,9,11-14,21,28H,8,10,15H2,1-4H3"	COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NCC4=CC(=CC=C4)[N+](=O)[O-])OC)OC	XOWSULYKKPWVIN-UHFFFAOYSA-N
DG54386	"N-(4,8-dichloro-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide"	373003	NSC648791; NSC-648791; NCI60_016976	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648791	.	.	.	.	468.3	C22H23Cl2NO6	83.1	823	3.4	31	1	6	5	"InChI=1S/C22H23Cl2NO6/c1-10(26)25-13-8-6-12-15(20(29-3)22(31-5)21(30-4)17(12)23)11-7-9-14(28-2)19(27)18(24)16(11)13/h7,9,13H,6,8H2,1-5H3,(H,25,26)"	CC(=O)NC1CCC2=C(C3=CC=C(C(=O)C(=C13)Cl)OC)C(=C(C(=C2Cl)OC)OC)OC	YCIZNFRTSAERPZ-UHFFFAOYSA-N
DG54387	"1,4,8,11-Tetraazacyclotetradecane-5,12-dione, 3,3,6,10,10,13-hexamethyl-6,13-bis(phenylmethoxy)-"	373031	"NSC648864; CHEMBL1998454; NSC-648864; 1,4,8,11-Tetraazacyclotetradecane-5,12-dione, 3,3,6,10,10,13-hexamethyl-6,13-bis(phenylmethoxy)-; NCI60_017002; 6,13-dibenzyloxy-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetrazacyclotetradecane-5,12-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648864	.	.	.	.	524.7	C30H44N4O4	101	712	2.2	38	4	6	6	"InChI=1S/C30H44N4O4/c1-27(2)19-31-21-30(6,38-18-24-15-11-8-12-16-24)26(36)34-28(3,4)20-32-22-29(5,25(35)33-27)37-17-23-13-9-7-10-14-23/h7-16,31-32H,17-22H2,1-6H3,(H,33,35)(H,34,36)"	CC1(CNCC(C(=O)NC(CNCC(C(=O)N1)(C)OCC2=CC=CC=C2)(C)C)(C)OCC3=CC=CC=C3)C	JSBUWPSHJRQPDC-UHFFFAOYSA-N
DG54388	"4-Phenyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione"	373050	"NSC648883; 4-Phenyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione; 4-phenylpyrano[3,2-g]chromene-2,6-dione; CHEMBL1991036; NSC-648883; NCI60_017010"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648883	.	.	.	.	290.3	C18H10O4	52.6	541	2.7	22	0	4	1	InChI=1S/C18H10O4/c19-15-6-7-21-16-10-17-13(8-14(15)16)12(9-18(20)22-17)11-4-2-1-3-5-11/h1-10H	C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=C4C(=O)C=COC4=C3	SOXMYYBQFNEUOF-UHFFFAOYSA-N
DG54389	Hydramycin	373075	Hydramycin; CHEMBL1986714; SCHEMBL13799355; NSC648910; NSC-648910; NCI60_017037	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648910	.	.	.	.	408.4	C22H16O8	134	820	1	30	3	8	3	"InChI=1S/C22H16O8/c1-9-5-11-18(20(27)17-10(19(11)26)3-2-4-12(17)24)21-16(9)13(25)6-14(30-21)22(28,8-23)15-7-29-15/h2-6,15,23-24,28H,7-8H2,1H3"	CC1=CC2=C(C3=C1C(=O)C=C(O3)C(CO)(C4CO4)O)C(=O)C5=C(C2=O)C=CC=C5O	WZNWUDKIQDIRSR-UHFFFAOYSA-N
DG54390	"1-Dodecyl-4-methyl-1,4-diazoniabicyclo[2.2.2]octane;iodide"	373080	NSC649000; NSC-649000	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649000	.	.	.	.	423.4	C19H40IN2+	0	263	.	22	0	1	11	"InChI=1S/C19H40N2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-21-17-14-20(2,15-18-21)16-19-21;/h3-19H2,1-2H3;1H/q+2;/p-1"	CCCCCCCCCCCC[N+]12CC[N+](CC1)(CC2)C.[I-]	TYIXLSIUPARBPD-UHFFFAOYSA-M
DG54391	"2-(4-Dodecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)ethanamine;bromide"	373082	NSC649001; NSC-649001	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649001	.	.	.	.	405.5	C20H43BrN3+	26	292	.	24	1	2	13	"InChI=1S/C20H43N3.BrH/c1-2-3-4-5-6-7-8-9-10-11-13-22-15-18-23(14-12-21,19-16-22)20-17-22;/h2-21H2,1H3;1H/q+2;/p-1"	CCCCCCCCCCCC[N+]12CC[N+](CC1)(CC2)CCN.[Br-]	FZXZBSRHWNDLBP-UHFFFAOYSA-M
DG54392	"Dibenzyl [5-(dibenzyloxyphosphoryloxymethyl)-2,5-diethoxy-1,4-dioxan-2-yl]methyl phosphate"	373087	"NSC649007; CHEMBL1994231; NSC-649007; NCI60_017047; dibenzyl [5-(dibenzyloxyphosphoryloxymethyl)-2,5-diethoxy-1,4-dioxan-2-yl]methyl phosphate; Dibenzyl (5-(((bis(benzyloxy)phosphoryl)oxy)methyl)-2,5-diethoxy-1,4-dioxan-2-yl)methyl phosphate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649007	.	.	.	.	756.7	C38H46O12P2	126	954	4.7	52	0	12	22	"InChI=1S/C38H46O12P2/c1-3-41-37(31-49-51(39,45-25-33-17-9-5-10-18-33)46-26-34-19-11-6-12-20-34)29-44-38(30-43-37,42-4-2)32-50-52(40,47-27-35-21-13-7-14-22-35)48-28-36-23-15-8-16-24-36/h5-24H,3-4,25-32H2,1-2H3"	CCOC1(COC(CO1)(COP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC)COP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5	VNFOSTPGFOALAJ-UHFFFAOYSA-N
DG54393	"2-Hydroxy-7-methoxy-4-methyl-2,4,6-cycloheptatrien-1-one"	373102	"NSC649044; CHEMBL1986605; 2-Hydroxy-7-methoxy-4-methyl-2,4,6-cycloheptatrien-1-one; NSC-649044; NCI60_017062; 2-Hydroxy-4-methyl-7-methoxy-2,4,6-cycloheptatriene-1-one; 2-hydroxy-7-methoxy-4-methyl-cyclohepta-2,4,6-trien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649044	.	.	.	.	166.17	C9H10O3	46.5	295	1.1	12	1	3	1	"InChI=1S/C9H10O3/c1-6-3-4-8(12-2)9(11)7(10)5-6/h3-5H,1-2H3,(H,10,11)"	CC1=CC(=O)C(=C(C=C1)OC)O	BEJDCFLPAOQEBD-UHFFFAOYSA-N
DG54394	"3-Bromo-2-ethoxy-1-methyl-1,2,3,4-tetrahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione"	373133	"NSC649075; 3-Bromo-2-ethoxy-1-methyl-1,2,3,4-tetrahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione; bromo-ethoxy-methyl-[ ]dione; CHEMBL1967709; NSC-649075; NCI60_017093"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649075	.	.	.	.	403.3	C19H19BrN2O3	49.8	557	3.4	25	0	3	2	"InChI=1S/C19H19BrN2O3/c1-3-25-17-11(2)22-19(24)15-9-13-7-5-4-6-12(13)8-14(15)18(23)21(22)10-16(17)20/h4-9,11,16-17H,3,10H2,1-2H3"	CCOC1C(N2C(=O)C3=CC4=CC=CC=C4C=C3C(=O)N2CC1Br)C	DQAFLNVGFSWHQX-UHFFFAOYSA-N
DG54395	"2',3',4'-Trimethoxy-5-hydroxyflavone"	373139	"NSC649082; CHEMBL310931; NSC-649082; 2',3',4'-Trimethoxy-5-hydroxyflavone; NCI60_017099"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649082	.	.	.	.	328.3	C18H16O6	74.2	490	3.3	24	1	6	4	"InChI=1S/C18H16O6/c1-21-14-8-7-10(17(22-2)18(14)23-3)15-9-12(20)16-11(19)5-4-6-13(16)24-15/h4-9,19H,1-3H3"	COC1=C(C(=C(C=C1)C2=CC(=O)C3=C(C=CC=C3O2)O)OC)OC	YLHALJZNKVUBGX-UHFFFAOYSA-N
DG54396	"4H-1-benzopyran-4-one, 6-hydroxy-2-(2,3,4-trimethoxyphenyl)-"	373141	"4H-1-benzopyran-4-one, 6-hydroxy-2-(2,3,4-trimethoxyphenyl)-; NSC649084; 144707-14-2; CHEMBL309086; DTXSID00327360; NSC-649084; 2',3',4'-Trimethoxy-6-hydroxyflavone; NCI60_017101"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649084	.	.	.	.	328.3	C18H16O6	74.2	490	2.7	24	1	6	4	"InChI=1S/C18H16O6/c1-21-15-7-5-11(17(22-2)18(15)23-3)16-9-13(20)12-8-10(19)4-6-14(12)24-16/h4-9,19H,1-3H3"	COC1=C(C(=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)O)OC)OC	JZKKBDHEMSLXMZ-UHFFFAOYSA-N
DG54397	"7,2',3',4'-Tetramethoxyflavone"	373144	"NSC649087; CHEMBL76544; 7,2',3',4'-Tetramethoxyflavone; NSC-649087; NCI60_017104"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649087	.	.	.	.	342.3	C19H18O6	63.2	504	3.1	25	0	6	5	"InChI=1S/C19H18O6/c1-21-11-5-6-12-14(20)10-17(25-16(12)9-11)13-7-8-15(22-2)19(24-4)18(13)23-3/h5-10H,1-4H3"	COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=C(C(=C(C=C3)OC)OC)OC	ZKOORGFFMZYXJI-UHFFFAOYSA-N
DG54398	"2-(Diethylaminomethyl)-4-[(10-methylindolo[3,2-b]quinolin-11-yl)amino]phenol;hydrochloride"	373149	NSC-649091; CHEMBL1287951; NSC649091	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649091	.	.	.	.	461	C27H29ClN4O	53.3	613	.	33	3	4	6	"InChI=1S/C27H28N4O.ClH/c1-4-31(5-2)17-18-16-19(14-15-24(18)32)28-25-20-10-6-8-12-22(20)29-26-21-11-7-9-13-23(21)30(3)27(25)26;/h6-16,32H,4-5,17H2,1-3H3,(H,28,29);1H"	CCN(CC)CC1=C(C=CC(=C1)NC2=C3C(=NC4=CC=CC=C42)C5=CC=CC=C5N3C)O.Cl	IAPNUOYAHQHYQR-UHFFFAOYSA-N
DG54399	"6-Chloro-3,5-dimethylisothiazolo[4,5-c]pyridin-4(5H)-one"	373154	"NSC649095; 6-Chloro-3,5-dimethylisothiazolo[4,5-c]pyridin-4(5H)-one; CHEMBL1985024; ZINC1631694; NSC-649095; NCI60_017112; 6-chloro-3,5-dimethyl-isothiazolo[4,5-c]pyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649095	.	.	.	.	214.67	C8H7ClN2OS	61.4	281	1.9	13	0	3	0	"InChI=1S/C8H7ClN2OS/c1-4-7-5(13-10-4)3-6(9)11(2)8(7)12/h3H,1-2H3"	CC1=NSC2=C1C(=O)N(C(=C2)Cl)C	ISZGIUGWBZEQNY-UHFFFAOYSA-N
DG54400	"6-Benzyl-3,8,9-trimethoxy-11-methyl-6,11-dihydro-5H-indeno[1,2-c]isoquinolin-5-one"	373164	"NSC649107; 6-Benzyl-3,8,9-trimethoxy-11-methyl-6,11-dihydro-5H-indeno[1,2-c]isoquinolin-5-one; CHEMBL1977307; 6-benzyl-3,8,9-trimethoxy-11-methyl-11H-indeno[1,2-c]isoquinolin-5-one; NSC-649107; NCI60_017122"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649107	.	.	.	.	427.5	C27H25NO4	48	729	4.4	32	0	4	5	"InChI=1S/C27H25NO4/c1-16-20-13-23(31-3)24(32-4)14-21(20)26-25(16)19-11-10-18(30-2)12-22(19)27(29)28(26)15-17-8-6-5-7-9-17/h5-14,16H,15H2,1-4H3"	CC1C2=CC(=C(C=C2C3=C1C4=C(C=C(C=C4)OC)C(=O)N3CC5=CC=CC=C5)OC)OC	JDSKXNOKMRKBKV-UHFFFAOYSA-N
DG54401	"6-(3-Methoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	373169	"CHEMBL279142; NSC649118; SCHEMBL13232484; BDBM50037444; NSC-649118; NCI60_017127; 6-(3-Methoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; 6-(3-Methoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649118	.	.	.	.	295.29	C17H13NO4	56.8	477	3	22	1	5	2	"InChI=1S/C17H13NO4/c1-20-11-4-2-3-10(5-11)13-7-15(19)12-6-16-17(22-9-21-16)8-14(12)18-13/h2-8H,9H2,1H3,(H,18,19)"	COC1=CC=CC(=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4	WLLYUAYHKVYLTP-UHFFFAOYSA-N
DG54402	"6-(2-Methoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	373170	"CHEMBL14536; NSC649119; BDBM50041128; NSC-649119; NCI60_017128; 6-(2-Methoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; 6-(2-Methoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649119	.	.	.	.	295.29	C17H13NO4	56.8	477	3	22	1	5	2	"InChI=1S/C17H13NO4/c1-20-15-5-3-2-4-10(15)12-7-14(19)11-6-16-17(22-9-21-16)8-13(11)18-12/h2-8H,9H2,1H3,(H,18,19)"	COC1=CC=CC=C1C2=CC(=O)C3=CC4=C(C=C3N2)OCO4	FMFZHVAQMJFXDO-UHFFFAOYSA-N
DG54403	"6-(4-Dimethylamino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	373172	"CHEMBL279811; NSC649121; BDBM50041131; NSC-649121; NCI60_017130; 6-(4-Dimethylamino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; 6-[4-(Dimethylamino)phenyl]-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649121	.	.	.	.	308.3	C18H16N2O3	50.8	497	3.1	23	1	5	2	"InChI=1S/C18H16N2O3/c1-20(2)12-5-3-11(4-6-12)14-8-16(21)13-7-17-18(23-10-22-17)9-15(13)19-14/h3-9H,10H2,1-2H3,(H,19,21)"	CN(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4	GUYRKUKTQPPPFK-UHFFFAOYSA-N
DG54404	"6-(3-Dimethylamino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	373173	"CHEMBL275872; NSC649122; BDBM50037452; NSC-649122; NCI60_017131; 6-(3-Dimethylamino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; 6-[3-(Dimethylamino)phenyl]-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649122	.	.	.	.	308.3	C18H16N2O3	50.8	505	3.1	23	1	5	2	"InChI=1S/C18H16N2O3/c1-20(2)12-5-3-4-11(6-12)14-8-16(21)13-7-17-18(23-10-22-17)9-15(13)19-14/h3-9H,10H2,1-2H3,(H,19,21)"	CN(C)C1=CC=CC(=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4	PMTYBDLJRSCTJI-UHFFFAOYSA-N
DG54405	"6-Thiophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	373177	"CHEMBL14540; NSC649126; 6-Thiophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; BDBM50041127; NSC-649126; NCI60_017135; 6-(2-Thienyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649126	.	.	.	.	271.29	C14H9NO3S	75.8	425	2.7	19	1	5	1	"InChI=1S/C14H9NO3S/c16-11-5-10(14-2-1-3-19-14)15-9-6-13-12(4-8(9)11)17-7-18-13/h1-6H,7H2,(H,15,16)"	C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC=CS4	NMFTWAYYGHNSDJ-UHFFFAOYSA-N
DG54406	"6-(1H-Indol-3-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	373178	"CHEMBL273990; NSC649127; 6-(1H-Indol-3-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; BDBM50041109; NSC-649127; NCI60_017136; 6-(1H-Indol-3-yl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649127	.	.	.	.	304.3	C18H12N2O3	63.4	534	3.1	23	2	4	1	"InChI=1S/C18H12N2O3/c21-16-6-14(12-8-19-13-4-2-1-3-10(12)13)20-15-7-18-17(5-11(15)16)22-9-23-18/h1-8,19H,9H2,(H,20,21)"	C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CNC5=CC=CC=C54	VCUYWIGKJZXRHY-UHFFFAOYSA-N
DG54407	4-Hydroxy-8-methyl-2-phenylquinoline	373179	"4-Hydroxy-8-methyl-2-phenylquinoline; 92855-38-4; 8-methyl-2-phenylquinolin-4-ol; 8-methyl-2-phenyl-1H-quinolin-4-one; 8-Methyl-2-phenylquinolin-4(1H)-one; 14802-11-0; NSC649128; Oprea1_189180; SCHEMBL3617718; CHEMBL1999288; ZINC5504129; MFCD02929096; NSC-649128; NCI60_017137; 4-Hydroxy-8-methyl-2-phenylquinoline, AldrichCPR"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649128	.	.	.	.	235.28	C16H13NO	29.1	354	3.6	18	1	2	1	"InChI=1S/C16H13NO/c1-11-6-5-9-13-15(18)10-14(17-16(11)13)12-7-3-2-4-8-12/h2-10H,1H3,(H,17,18)"	CC1=C2C(=CC=C1)C(=O)C=C(N2)C3=CC=CC=C3	NGUWFPQUQMBYJN-UHFFFAOYSA-N
DG54408	8-Chloro-2-phenylquinolin-4-ol	373180	"8-chloro-2-phenylquinolin-4-ol; 439147-12-3; 8-Chloro-4-hydroxy-2-phenylquinoline; 8-chloro-2-phenyl-1H-quinolin-4-one; NSC649129; Oprea1_457068; SCHEMBL3620698; CHEMBL2000853; DTXSID80327363; ZINC5647150; MFCD02929094; NSC-649129; NCI60_017138; 8-Chloro-4-hydroxy-2-phenylquinoline, AldrichCPR"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649129	.	.	.	.	255.7	C15H10ClNO	29.1	360	3.8	18	1	2	1	"InChI=1S/C15H10ClNO/c16-12-8-4-7-11-14(18)9-13(17-15(11)12)10-5-2-1-3-6-10/h1-9H,(H,17,18)"	C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C(=CC=C3)Cl	FKESBVHFFXMUOC-UHFFFAOYSA-N
DG54409	"Methyl 13-(phenylsulfonyl)-1,4,7,8,13,13b-hexahydro[1,2]oxazepino[2',3':1,2]pyrido[3,4-b]indole-1-carboxylate"	373183	"NSC649147; Methyl 13-(phenylsulfonyl)-1,4,7,8,13,13b-hexahydro[1,2]oxazepino[2',3':1,2]pyrido[3,4-b]indole-1-carboxylate; methyl benzenesulfonyl[ ]carboxylate; NSC-649147; NCI60_017141"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649147	.	.	.	.	438.5	C23H22N2O5S	86.2	803	3.5	31	0	6	4	"InChI=1S/C23H22N2O5S/c1-29-23(26)19-11-7-15-30-24-14-13-18-17-10-5-6-12-20(17)25(22(18)21(19)24)31(27,28)16-8-3-2-4-9-16/h2-12,19,21H,13-15H2,1H3"	COC(=O)C1C=CCON2C1C3=C(CC2)C4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5	KDKJPSCEPZYYDT-UHFFFAOYSA-N
DG54410	"N2-(3,4,5-trimethoxyphenyl)quinoxaline-2,7-diamine"	373184	"NSC649148; CHEMBL1982170; NSC-649148; NCI60_017142; N2-(3,4,5-trimethoxyphenyl)quinoxaline-2,7-diamine; N~2~-(3,4,5-Trimethoxyphenyl)-2,7-quinoxalinediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649148	.	.	.	.	326.35	C17H18N4O3	91.5	386	2.3	24	2	7	5	"InChI=1S/C17H18N4O3/c1-22-14-7-11(8-15(23-2)17(14)24-3)20-16-9-19-12-5-4-10(18)6-13(12)21-16/h4-9H,18H2,1-3H3,(H,20,21)"	COC1=CC(=CC(=C1OC)OC)NC2=CN=C3C=CC(=CC3=N2)N	JSFRSCBRMCMEJJ-UHFFFAOYSA-N
DG54411	Diethyl 2-((4-(((3-chloro-2-phenyl-6-quinoxalinyl)methyl)amino)benzoyl)amino)pentanedioate	373186	NSC649150; CHEMBL1999624; NSC-649150; NCI60_017144; Diethyl 2-((4-(((3-chloro-2-phenyl-6-quinoxalinyl)methyl)amino)benzoyl)amino)pentanedioate; diethyl 2-[[4-[(3-chloro-2-phenyl-quinoxalin-6-yl)methylamino]benzoyl]amino]pentanedioate; 2-[[4-[[(3-Chloro-2-phenylquinoxaline-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid diethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649150	.	.	.	.	575.1	C31H31ClN4O5	120	848	5.5	41	2	8	14	"InChI=1S/C31H31ClN4O5/c1-3-40-27(37)17-16-25(31(39)41-4-2)36-30(38)22-11-13-23(14-12-22)33-19-20-10-15-24-26(18-20)35-29(32)28(34-24)21-8-6-5-7-9-21/h5-15,18,25,33H,3-4,16-17,19H2,1-2H3,(H,36,38)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)N=C(C(=N3)Cl)C4=CC=CC=C4	KZWNLSQQEKHGIO-UHFFFAOYSA-N
DG54412	"1-{4-Chloro-7H-pyrrolo[2,3-D]pyrimidin-7-ylethan-1-one"	373190	"NSC649156; SCHEMBL3494207; CHEMBL1985971; NSC-649156; 908810-51-5; NCI60_017149; D87303; 1-{4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YLETHAN-1-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649156	.	.	.	.	195.6	C8H6ClN3O	47.8	223	1.5	13	0	3	0	"InChI=1S/C8H6ClN3O/c1-5(13)12-3-2-6-7(9)10-4-11-8(6)12/h2-4H,1H3"	CC(=O)N1C=CC2=C1N=CN=C2Cl	LPRFQMOPHAFADL-UHFFFAOYSA-N
DG54413	5-Bromo-6-nitroisatin	373211	NSC649178; 5-bromo-6-nitroisatin; CHEMBL2001655; NSC-649178; NCI60_017171	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649178	.	.	.	.	271.02	C8H3BrN2O4	92	340	1.2	15	1	4	0	"InChI=1S/C8H3BrN2O4/c9-4-1-3-5(2-6(4)11(14)15)10-8(13)7(3)12/h1-2H,(H,10,12,13)"	C1=C2C(=CC(=C1Br)[N+](=O)[O-])NC(=O)C2=O	LLNUDSDAFYWGRT-UHFFFAOYSA-N
DG54414	"tert-Butyl 1-((4-((4-fluoro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-yl)amino)anilino)carbonyl)-3-methylbutylcarbamate"	373233	"NSC649240; CHEMBL1996361; NSC-649240; NCI60_017185; tert-Butyl 1-((4-((4-fluoro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-yl)amino)anilino)carbonyl)-3-methylbutylcarbamate; tert-butyl N-[1-[[4-[[4-fluoro-6-(2-methylisoindol-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]carbamoyl]-3-methyl-butyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649240	.	.	.	.	547.6	C29H34FN7O3	123	848	5.6	40	3	8	10	"InChI=1S/C29H34FN7O3/c1-17(2)15-22(33-28(39)40-29(3,4)5)25(38)31-19-11-13-20(14-12-19)32-27-35-24(34-26(30)36-27)23-21-10-8-7-9-18(21)16-37(23)6/h7-14,16-17,22H,15H2,1-6H3,(H,31,38)(H,33,39)(H,32,34,35,36)"	CC(C)CC(C(=O)NC1=CC=C(C=C1)NC2=NC(=NC(=N2)C3=C4C=CC=CC4=CN3C)F)NC(=O)OC(C)(C)C	FDJLXSPYFNUPLA-UHFFFAOYSA-N
DG54415	"1-Hydroxy-10-methyl-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one"	373241	"NSC649270; 1-Hydroxy-10-methyl-7,8,9,10-tetrahydro-6H-dibenzo[c,h]chromen-6-one; CHEMBL1981845; 1-hydroxy-10-methyl-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one; NSC-649270; NCI60_017193; Benzo[d]naphtho[1, 1-hydroxy-10-methyl-7,8,9,10-tetrahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649270	.	.	.	.	280.3	C18H16O3	46.5	481	4.1	21	1	3	0	"InChI=1S/C18H16O3/c1-10-4-2-6-14-16(10)13-9-8-11-12(5-3-7-15(11)19)17(13)21-18(14)20/h3,5,7-10,19H,2,4,6H2,1H3"	CC1CCCC2=C1C3=C(C4=C(C=C3)C(=CC=C4)O)OC2=O	VSIBYLUZYNYFPG-UHFFFAOYSA-N
DG54416	"1-Methoxy-6,6-dimethyl-6,6a,7,8-tetrahydro-9H-benzo[c]chromen-9-one"	373246	"NSC649287; 1-Methoxy-6,6-dimethyl-6,6a,7,8-tetrahydro-9H-benzo[c]chromen-9-one; CHEMBL1991768; 1-methoxy-6,6-dimethyl-7,8-dihydro-6aH-benzo[c]chromen-9-one; NSC-649287; NCI60_017195"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649287	.	.	.	.	258.31	C16H18O3	35.5	410	2.2	19	0	3	1	"InChI=1S/C16H18O3/c1-16(2)12-8-7-10(17)9-11(12)15-13(18-3)5-4-6-14(15)19-16/h4-6,9,12H,7-8H2,1-3H3"	CC1(C2CCC(=O)C=C2C3=C(O1)C=CC=C3OC)C	ZYHGDNNDJMJQQZ-UHFFFAOYSA-N
DG54417	"5-Chloro-7-hydroxy-2,3-dimethoxy-2,4,6-cycloheptatrien-1-one"	373247	"NSC649311; Tropolone,7-dimethoxy-; CHEMBL1976491; NSC-649311; NCI60_017203; 2,6-Cycloheptatriene-1-one,4-chloro-2-hydroxy-6,7-dimethoxy-; 5-Chloro-7-hydroxy-2,3-dimethoxy-2,4,6-cycloheptatrien-1-one; 5-chloro-7-hydroxy-2,3-dimethoxy-cyclohepta-2,4,6-trien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649311	.	.	.	.	216.62	C9H9ClO4	55.8	352	1.2	14	1	4	2	"InChI=1S/C9H9ClO4/c1-13-7-4-5(10)3-6(11)8(12)9(7)14-2/h3-4H,1-2H3,(H,11,12)"	COC1=CC(=CC(=O)C(=C1OC)O)Cl	AYKRMZIQYCEBJN-UHFFFAOYSA-N
DG54418	3-((3-(Methylthio)-4-quinolinyl)thio)-4(1H)-quinolinone	373248	NSC649312; CHEMBL1974228; 3-((3-(Methylthio)-4-quinolinyl)thio)-4(1H)-quinolinone; NSC-649312; NCI60_017204; 3-[3-(Methylthio)-4-quinolylthio]quinoline-4(1H)-one; 3-[(3-methylsulfanyl-4-quinolyl)sulfanyl]-1H-quinolin-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649312	.	.	.	.	350.5	C19H14N2OS2	92.6	510	4.6	24	1	5	3	"InChI=1S/C19H14N2OS2/c1-23-17-11-21-15-9-5-3-7-13(15)19(17)24-16-10-20-14-8-4-2-6-12(14)18(16)22/h2-11H,1H3,(H,20,22)"	CSC1=C(C2=CC=CC=C2N=C1)SC3=CNC4=CC=CC=C4C3=O	NNBZVAAQEUSNMM-UHFFFAOYSA-N
DG54419	1-Methyl-3-((3-(methylthio)-4-quinolinyl)thio)-4(1H)-quinolinone	373249	"NSC649313; 83936-02-1; CHEMBL1980719; DTXSID20327367; 1-Methyl-3-((3-(methylthio)-4-quinolinyl)thio)-4(1H)-quinolinone; NSC-649313; NCI60_017205; 1-Methyl-3-((3-(methylthio)quinolin-4-yl)thio)quinolin-4(1H)-one; 1-methyl-3-[(3-methylsulfanyl-4-quinolyl)sulfanyl]quinolin-4-one; {1-Methyl-3-[[3-(methylthio)-4-quinolinyl]thio]-4(1H)-} quinolinone; 1-methyl-3-[(3-methylthio-4-quinolyl)thio]-1,4-dihydro-4-oxo-quinoline; 1-Methyl-3-[[3-(methylthio)-4-quinolinyl]thio]-4(1H)- quinolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649313	.	.	.	.	364.5	C20H16N2OS2	83.8	538	4.8	25	0	5	3	"InChI=1S/C20H16N2OS2/c1-22-12-18(19(23)14-8-4-6-10-16(14)22)25-20-13-7-3-5-9-15(13)21-11-17(20)24-2/h3-12H,1-2H3"	CN1C=C(C(=O)C2=CC=CC=C21)SC3=C(C=NC4=CC=CC=C43)SC	QNJWLZWBRUDNGL-UHFFFAOYSA-N
DG54420	"N-Butyl-2-[4-[(butylamino)sulfonyl]phenyl]dibenzothiophene-7-sulfonamide 5,5-dioxide"	373257	"NSC649351; CHEMBL1992027; ZINC1631784; NSC-649351; NCI60_017212; N-Butyl-2-[4-[(butylamino)sulfonyl]phenyl]dibenzothiophene-7-sulfonamide 5,5-dioxide; N-Butyl-8-(4-((butylamino)sulfonyl)phenyl)dibenzo[b,d]thiophene-3-sulfonamide 5,5-dioxide; N-butyl-8-[4-(butylsulfamoyl)phenyl]-5,5-dioxo-dibenzothiophene-3-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649351	.	.	.	.	562.7	C26H30N2O6S3	152	1070	4.5	37	2	8	11	"InChI=1S/C26H30N2O6S3/c1-3-5-15-27-36(31,32)21-10-7-19(8-11-21)20-9-14-25-24(17-20)23-13-12-22(18-26(23)35(25,29)30)37(33,34)28-16-6-4-2/h7-14,17-18,27-28H,3-6,15-16H2,1-2H3"	CCCCNS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)C4=C3C=CC(=C4)S(=O)(=O)NCCCC	PZEJSFJLBCVRBG-UHFFFAOYSA-N
DG54421	Methyl 3-oxo-3-((phenylthio)oxy)propanoate	373265	NSC649417; Methyl 3-oxo-3-((phenylthio)oxy)propanoate; CHEMBL1979815; NSC-649417; NCI60_017221; O1-methyl O3-phenylsulfanyl propanedioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649417	.	.	.	.	226.25	C10H10O4S	77.9	224	2.1	15	0	5	6	"InChI=1S/C10H10O4S/c1-13-9(11)7-10(12)14-15-8-5-3-2-4-6-8/h2-6H,7H2,1H3"	COC(=O)CC(=O)OSC1=CC=CC=C1	SFEKILOBONIHEG-UHFFFAOYSA-N
DG54422	6-[2-(2-Diazopropanoyl)phenyl]hex-5-yn-2-one	373279	NSC649431; CHEMBL1986549; NSC-649431; NCI60_017232; 2'-(5-Oxo-1-hexynyl)-alpha-diazopropiophenone; 6-[2-(2-diazopropanoyl)phenyl]hex-5-yn-2-one; 6-(2-(2-(1.Lambda.~5~-Diazenylidene)propanoyl)phenyl)-5-hexyn-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649431	.	.	.	.	254.28	C15H14N2O2	36.1	475	1.9	19	0	3	5	"InChI=1S/C15H14N2O2/c1-11(18)7-3-4-8-13-9-5-6-10-14(13)15(19)12(2)17-16/h5-6,9-10H,3,7H2,1-2H3"	CC(=O)CCC#CC1=CC=CC=C1C(=O)C(=[N+]=[N-])C	QSVSHJNUAUKTJW-UHFFFAOYSA-N
DG54423	2-Diazo-1-[2-(4-phenylbut-1-ynyl)phenyl]ethanone	373282	NSC649433; CHEMBL1982189; ZINC5836845; NSC-649433; NCI60_017233; 2-diazo-1-[2-(4-phenylbut-1-ynyl)phenyl]ethanone; 2-(1.Lambda.~5~-Diazenylidene)-1-(2-(4-phenyl-1-butynyl)phenyl)ethanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649433	.	.	.	.	274.3	C18H14N2O	19.1	458	4.2	21	0	2	5	"InChI=1S/C18H14N2O/c19-20-14-18(21)17-13-7-6-12-16(17)11-5-4-10-15-8-2-1-3-9-15/h1-3,6-9,12-14H,4,10H2"	C1=CC=C(C=C1)CCC#CC2=CC=CC=C2C(=O)C=[N+]=[N-]	RBUMGDQJMZOAGK-UHFFFAOYSA-N
DG54424	"Methyl 2-(1,7-octadiynyl)benzoate"	373288	"NSC649437; Methyl 2-(1,7-octadiynyl)benzoate; methyl 2-octa-1,7-diynylbenzoate; CHEMBL1990713; NSC-649437; NCI60_017237; 2-(1,7-Octadiynyl)benzoic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649437	.	.	.	.	240.3	C16H16O2	26.3	374	4.7	18	0	2	6	"InChI=1S/C16H16O2/c1-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16(17)18-2/h1,9-10,12-13H,4-7H2,2H3"	COC(=O)C1=CC=CC=C1C#CCCCCC#C	MPQDPTXPCUYGHH-UHFFFAOYSA-N
DG54425	3-(2-Allylbenzyl)-3-ethoxy-2-benzofuran-1(3H)-one	373289	NSC649438; 3-(2-Allylbenzyl)-3-ethoxy-2-benzofuran-1(3H)-one; CHEMBL1994682; NSC-649438; NCI60_017238; 3-[(2-allylphenyl)methyl]-3-ethoxy-isobenzofuran-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649438	.	.	.	.	308.4	C20H20O3	35.5	433	4.5	23	0	3	6	"InChI=1S/C20H20O3/c1-3-9-15-10-5-6-11-16(15)14-20(22-4-2)18-13-8-7-12-17(18)19(21)23-20/h3,5-8,10-13H,1,4,9,14H2,2H3"	CCOC1(C2=CC=CC=C2C(=O)O1)CC3=CC=CC=C3CC=C	PHYYDUBHPOXQAC-UHFFFAOYSA-N
DG54426	Methyl 4-(2-(allyloxy)ethyl)-3-oxo-6-heptenoate	373310	NSC649456; Methyl 4-(2-(allyloxy)ethyl)-3-oxo-6-heptenoate; CHEMBL1966554; NSC-649456; NCI60_017256; methyl 4-(2-allyloxyethyl)-3-oxo-hept-6-enoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649456	.	.	.	.	240.29	C13H20O4	52.6	271	1.9	17	0	4	11	"InChI=1S/C13H20O4/c1-4-6-11(7-9-17-8-5-2)12(14)10-13(15)16-3/h4-5,11H,1-2,6-10H2,3H3"	COC(=O)CC(=O)C(CCOCC=C)CC=C	NYICBDVKJQJALA-UHFFFAOYSA-N
DG54427	"2-(2-(2-((tert-Butyl(dimethyl)silyl)oxy)ethyl)phenyl)-4,5-bis(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane"	373323	"NSC649467; CHEMBL1972409; NSC-649467; 2-(2-(2-((tert-Butyl(dimethyl)silyl)oxy)ethyl)phenyl)-4,5-bis(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane; NCI60_017267; 2-[2-[4,5-bis(benzenesulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethoxy-tert-butyl-dimethyl-silane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649467	.	.	.	.	613.9	C31H39NO6S2Si	107	1110	.	41	0	7	10	"InChI=1S/C31H39NO6S2Si/c1-30(2,3)41(4,5)37-21-20-24-14-12-13-19-27(24)28-22-31(40(35,36)26-17-10-7-11-18-26)29(23-32(28)38-31)39(33,34)25-15-8-6-9-16-25/h6-19,28-29H,20-23H2,1-5H3"	CC(C)(C)[Si](C)(C)OCCC1=CC=CC=C1C2CC3(C(CN2O3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5	SWWCJTUVSXJESY-UHFFFAOYSA-N
DG54428	NSC649468	373324	"2-(2-((tert-Butyl(dimethyl)silyl)oxy)ethyl)-4-(1,3,4,5-cyclohexatetraen-1-ylsulfonyl)-5-(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane; NSC649468; CHEMBL2007594; NSC-649468; 2-(2-((tert-Butyl(dimethyl)silyl)oxy)ethyl)-4-(1,3,4,5-cyclohexatetraen-1-ylsulfonyl)-5-(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane; 2-[5-(benzenesulfonyl)-4-cyclohexa-1,3,4,5-tetraen-1-ylsulfonyl-7-oxa-1-azabicyclo[2.2.1]heptan-2-yl]ethoxy-tert-butyl-dimethyl-silane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649468	.	.	.	.	535.8	C25H33NO6S2Si	107	959	.	35	0	7	9	"InChI=1S/C25H33NO6S2Si/c1-24(2,3)35(4,5)31-17-16-20-18-25(34(29,30)22-14-10-7-11-15-22)23(19-26(20)32-25)33(27,28)21-12-8-6-9-13-21/h6,8-10,12-15,20,23H,16-19H2,1-5H3"	CC(C)(C)[Si](C)(C)OCCC1CC2(C(CN1O2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=C=C=C4	DLISVRBYLGDGIP-UHFFFAOYSA-N
DG54429	"2-Methyl-3-(phenylthio)-3,4-pentadien-2-ol"	373327	"NSC649471; 2-Methyl-3-(phenylthio)-3,4-pentadien-2-ol; CHEMBL1981129; NSC-649471; NCI60_017271; 2-methyl-3-phenylsulfanyl-penta-3,4-dien-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649471	.	.	.	.	206.31	C12H14OS	45.5	233	2.2	14	1	2	3	"InChI=1S/C12H14OS/c1-4-11(12(2,3)13)14-10-8-6-5-7-9-10/h5-9,13H,1H2,2-3H3"	CC(C)(C(=C=C)SC1=CC=CC=C1)O	NQJHYMGNYWTYEN-UHFFFAOYSA-N
DG54430	"2',6'-dibromospiro[2,3-dihydro-1H-benzo[g]quinoline-4,4'-cyclohexa-2,5-diene]-1',5,10-trione"	373332	NSC649491; CHEMBL2007222; ZINC1631838; NSC-649491; NCI60_017276	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649491	.	.	.	.	449.1	C18H11Br2NO3	63.2	740	4.2	24	1	4	0	"InChI=1S/C18H11Br2NO3/c19-11-7-18(8-12(20)17(11)24)5-6-21-14-13(18)15(22)9-3-1-2-4-10(9)16(14)23/h1-4,7-8,21H,5-6H2"	C1CNC2=C(C13C=C(C(=O)C(=C3)Br)Br)C(=O)C4=CC=CC=C4C2=O	MOZNFJNMAYKYLT-UHFFFAOYSA-N
DG54431	"2-(2,2-dimethyl-4-oxo-3,10-dihydro-1H-phenothiazin-3-yl)-N-(3-nitrophenyl)-2-oxo-acetamide"	373362	"NSC649577; CHEMBL1973642; NSC-649577; NCI60_017305; 2-(2,2-Dimethyl-4-oxo-2,3,4,10-tetrahydro-1H-phenothiazin-3-yl)-N-(3-(hydroxy(oxido)amino)phenyl)-2-oxoacetamide; 2-(2,2-dimethyl-4-oxo-3,10-dihydro-1H-phenothiazin-3-yl)-N-(3-nitrophenyl)-2-oxo-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649577	.	.	.	.	437.5	C22H19N3O5S	146	834	4.2	31	2	7	3	"InChI=1S/C22H19N3O5S/c1-22(2)11-15-20(31-16-9-4-3-8-14(16)24-15)18(26)17(22)19(27)21(28)23-12-6-5-7-13(10-12)25(29)30/h3-10,17,24H,11H2,1-2H3,(H,23,28)"	CC1(CC2=C(C(=O)C1C(=O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])SC4=CC=CC=C4N2)C	UAYKZFUJHZESKQ-UHFFFAOYSA-N
DG54432	N-(4-Chlorophenyl)-2-(4-hydroxy-2H-chromen-3-yl)-2-oxoacetamide	373363	NSC649578; CHEMBL2005543; N-(4-Chlorophenyl)-2-(4-hydroxy-2H-chromen-3-yl)-2-oxoacetamide; NSC-649578; NCI60_017306; N-(4-chlorophenyl)-2-(4-hydroxy-2H-chromen-3-yl)-2-oxo-acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649578	.	.	.	.	329.7	C17H12ClNO4	75.6	511	3.2	23	2	4	3	"InChI=1S/C17H12ClNO4/c18-10-5-7-11(8-6-10)19-17(22)16(21)13-9-23-14-4-2-1-3-12(14)15(13)20/h1-8,20H,9H2,(H,19,22)"	C1C(=C(C2=CC=CC=C2O1)O)C(=O)C(=O)NC3=CC=C(C=C3)Cl	JZFUURUIXQUXHN-UHFFFAOYSA-N
DG54433	"2-[5-[(1,3-dioxoindan-2-yl)methyl]-2,2-dimethyl-4,6-dioxo-cyclohexyl]-N-(7-hydroxy-1-naphthyl)-2-oxo-acetamide"	373374	"NSC649587; CHEMBL2000843; NSC-649587; NCI60_017315; 2-(5-((1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)methyl)-2,2-dimethyl-4,6-dioxocyclohexyl)-N-(7-hydroxy-1-naphthyl)-2-oxoacetamide; 2-[5-[(1,3-dioxoindan-2-yl)methyl]-2,2-dimethyl-4,6-dioxo-cyclohexyl]-N-(7-hydroxy-1-naphthyl)-2-oxo-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649587	.	.	.	.	511.5	C30H25NO7	135	1020	4.3	38	2	7	5	"InChI=1S/C30H25NO7/c1-30(2)14-23(33)20(13-21-25(34)17-7-3-4-8-18(17)26(21)35)27(36)24(30)28(37)29(38)31-22-9-5-6-15-10-11-16(32)12-19(15)22/h3-12,20-21,24,32H,13-14H2,1-2H3,(H,31,38)"	CC1(CC(=O)C(C(=O)C1C(=O)C(=O)NC2=CC=CC3=C2C=C(C=C3)O)CC4C(=O)C5=CC=CC=C5C4=O)C	KBLDJIBQZZQFFC-UHFFFAOYSA-N
DG54434	"3,10a-Diphenyl-5a,6,7,8,9,9a-hexahydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]benzothiazine"	373385	"NSC649612; 3,10a-Diphenyl-5a,6,7,8,9,9a-hexahydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]benzothiazine; CHEMBL2002188; NSC-649612; NCI60_017321; 3,10a-diphenyl-5a,6,7,8,9,9a-hexahydro-5H-[1,2,4]oxadiazolo[[ ]]benzo[[ ]][1,3]thiazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649612	.	.	.	.	350.5	C21H22N2OS	50.1	512	5.2	25	0	3	2	"InChI=1S/C21H22N2OS/c1-3-9-16(10-4-1)20-22-24-21(18-12-5-2-6-13-18)23(20)15-17-11-7-8-14-19(17)25-21/h1-6,9-10,12-13,17,19H,7-8,11,14-15H2"	C1CCC2C(C1)CN3C(=NOC3(S2)C4=CC=CC=C4)C5=CC=CC=C5	HIYZCGIQTOFBHX-UHFFFAOYSA-N
DG54435	"2,6-Bis(morpholinomethyl)cyclohexanone"	373397	"2,6-bis(morpholinomethyl)cyclohexanone; NSC38535; NSC649642; 2,6-bis(morpholin-4-ylmethyl)cyclohexan-1-one; CHEMBL2009290; NCI60_003682; 2,6-bis(4-morpholinylmethyl)-1-cyclohexanone; A834386; 2,6-Bis(4-morpholinylmethyl)cyclohexanone hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38535	.	.	.	.	296.4	C16H28N2O3	42	308	0.3	21	0	5	4	"InChI=1S/C16H28N2O3/c19-16-14(12-17-4-8-20-9-5-17)2-1-3-15(16)13-18-6-10-21-11-7-18/h14-15H,1-13H2"	C1CC(C(=O)C(C1)CN2CCOCC2)CN3CCOCC3	NKTBQZYCBJWBDL-UHFFFAOYSA-N
DG54436	"2,8-Bis[(dimethylamino)methyl]cyclooctan-1-one--hydrogen chloride (1/1)"	373400	"NSC649644; 6333-26-2; DTXSID40979448; NSC38530; NSC-38530; NSC-649644; 2,8-Bis[(dimethylamino)methyl]cyclooctan-1-one--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38530	.	.	.	.	276.84	C14H29ClN2O	23.6	216	.	18	1	3	4	"InChI=1S/C14H28N2O.ClH/c1-15(2)10-12-8-6-5-7-9-13(14(12)17)11-16(3)4;/h12-13H,5-11H2,1-4H3;1H"	CN(C)CC1CCCCCC(C1=O)CN(C)C.Cl	WZQKEFKBISEZLU-UHFFFAOYSA-N
DG54437	"17-Bromo-13,15-dimethoxy-7-methyl-3,6,10-trithiatricyclo[10.2.2.15,8]heptadeca-1(15),5(17),7,12(16),13-pentaene"	373408	"NSC649651; bromo-dimethoxy-methyl-[ ]; CHEMBL1983962; ZINC5837484; NSC-649651; NCI60_017330; 17-Bromo-13,15-dimethoxy-7-methyl-3,6,10-trithiatricyclo[10.2.2.1~5,8~]heptadeca-1(14),5(17),7,12,15-pentaene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649651	.	.	.	.	431.4	C17H19BrO2S3	97.3	387	4.6	23	0	5	2	"InChI=1S/C17H19BrO2S3/c1-10-13-8-21-6-11-4-15(20-3)12(5-14(11)19-2)7-22-9-16(23-10)17(13)18/h4-5H,6-9H2,1-3H3"	CC1=C2CSCC3=CC(=C(CSCC(=C2Br)S1)C=C3OC)OC	SZRWPRLKDAHBTO-UHFFFAOYSA-N
DG54438	"10-Phenyl-11,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,14-hexaene"	373409	"NSC649664; CHEMBL1997656; NSC-649664; NCI60_017331; 10-Phenyl-9,10-dihydro-3H-indeno[1,2-d][1,2,4]triazolo[1,5-a]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649664	.	.	.	.	286.3	C18H14N4	42.7	468	3.3	22	1	3	1	"InChI=1S/C18H14N4/c1-2-6-12(7-3-1)17-15-10-13-8-4-5-9-14(13)16(15)21-18-19-11-20-22(17)18/h1-9,11,17H,10H2,(H,19,20,21)"	C1C2=CC=CC=C2C3=C1C(N4C(=NC=N4)N3)C5=CC=CC=C5	FJAUXSSALRFYNH-UHFFFAOYSA-N
DG54439	"2,3-Dimethoxy-6,8-dimethyl-1H-benzo[a]cycloheptene-1,4,7-trione"	373411	"NSC649666; 2,3-Dimethoxy-6,8-dimethyl-1H-benzo[a]cycloheptene-1,4,7-trione; CHEMBL1993212; NSC-649666; NCI60_017333; 2,3-dimethoxy-6,8-dimethyl-benzo[7]annulene-1,4,7-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649666	.	.	.	.	274.27	C15H14O5	69.7	602	1.7	20	0	5	2	"InChI=1S/C15H14O5/c1-7-5-9-10(6-8(2)11(7)16)13(18)15(20-4)14(19-3)12(9)17/h5-6H,1-4H3"	CC1=CC2=C(C=C(C1=O)C)C(=O)C(=C(C2=O)OC)OC	JWKIIHAMODQGRC-UHFFFAOYSA-N
DG54440	"2,3-Dibromo-1H-benzo[a]cycloheptene-1,4,7-trione"	373412	"NSC649667; 2,3-Dibromo-1H-benzo[a]cycloheptene-1,4,7-trione; 2,3-dibromobenzo[7]annulene-1,4,7-trione; CHEMBL1972641; NSC-649667; NCI60_017334; 2,3-Dibromo-7H-benzocycloheptene-1,4,7-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649667	.	.	.	.	343.95	C11H4Br2O3	51.2	502	2.4	16	0	3	0	InChI=1S/C11H4Br2O3/c12-8-9(13)11(16)7-4-2-5(14)1-3-6(7)10(8)15/h1-4H	C1=CC2=C(C=CC1=O)C(=O)C(=C(C2=O)Br)Br	MXNJXAAYHKFDPH-UHFFFAOYSA-N
DG54441	2-((5-Methyl-3-isoxazolyl)amino)-4-((5-methyl-3-isoxazolyl)imino)-1(4H)-naphthalenone	373420	NSC649750; CHEMBL1986323; NSC-649750; 2-((5-Methyl-3-isoxazolyl)amino)-4-((5-methyl-3-isoxazolyl)imino)-1(4H)-naphthalenone; NCI60_017343; (4E)-2-[(5-methylisoxazol-3-yl)amino]-4-(5-methylisoxazol-3-yl)imino-naphthalen-1-one; 2-[(5-Methyl-3-isoxazolyl)amino]-4-[(5-methyl-3-isoxazolyl)imino]naphthalen-1(4H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649750	.	.	.	.	334.3	C18H14N4O3	93.5	591	3.4	25	1	7	3	"InChI=1S/C18H14N4O3/c1-10-7-16(21-24-10)19-14-9-15(20-17-8-11(2)25-22-17)18(23)13-6-4-3-5-12(13)14/h3-9H,1-2H3,(H,20,22)"	CC1=CC(=NO1)NC2=CC(=NC3=NOC(=C3)C)C4=CC=CC=C4C2=O	FNXSJJOERAANTF-UHFFFAOYSA-N
DG54442	1-(4-Bromophenylsulfonyl)-2-(methylaminosulfonyl)hydrazine	373421	NSC649752; 4-bromo-N'-(methylsulfamoyl)benzenesulfonohydrazide; CHEMBL1971488; 1-(4-bromophenylsulfonyl)-2-(methylaminosulfonyl)hydrazine; 2-(Methylaminosulfonyl)-1-(4-bromophenylsulfonyl)hydrazine; NSC-649752; NCI60_017344	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649752	.	.	.	.	344.2	C7H10BrN3O4S2	121	431	0.6	17	3	7	5	"InChI=1S/C7H10BrN3O4S2/c1-9-17(14,15)11-10-16(12,13)7-4-2-6(8)3-5-7/h2-5,9-11H,1H3"	CNS(=O)(=O)NNS(=O)(=O)C1=CC=C(C=C1)Br	XQTSZCCOCVYLNE-UHFFFAOYSA-N
DG54443	"5-((2-Oxocyclododecyl)methyl)-2,4,6(1H,3H,5H)-pyrimidinetrione"	373445	"NSC649803; CHEMBL2006614; 5-((2-Oxocyclododecyl)methyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; NSC-649803; NCI60_017359; 5-[(2-oxocyclododecyl)methyl]hexahydropyrimidine-2,4,6-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649803	.	.	.	.	322.4	C17H26N2O4	92.3	455	3.2	23	2	4	2	"InChI=1S/C17H26N2O4/c20-14-10-8-6-4-2-1-3-5-7-9-12(14)11-13-15(21)18-17(23)19-16(13)22/h12-13H,1-11H2,(H2,18,19,21,22,23)"	C1CCCCCC(=O)C(CCCC1)CC2C(=O)NC(=O)NC2=O	BBNZOYBBTKTRQU-UHFFFAOYSA-N
DG54444	"N-(4-bromo-2,6-dimethyl-phenyl)-2-[5-[(1,3-dioxoindan-2-yl)methyl]-2,2-dimethyl-4,6-dioxo-cyclohexyl]-2-oxo-acetamide"	373469	"NSC649825; CHEMBL1965586; NSC-649825; NCI60_017381; N-(4-bromo-2,6-dimethyl-phenyl)-2-[5-[(1,3-dioxoindan-2-yl)methyl]-2,2-dimethyl-4,6-dioxo-cyclohexyl]-2-oxo-acetamide; N-(4-Bromo-2,6-dimethylphenyl)-2-(5-((1,3-dioxo-2,3-dihydro-1H-inden-2-yl)methyl)-2,2-dimethyl-4,6-dioxocyclohexyl)-2-oxoacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649825	.	.	.	.	552.4	C28H26BrNO6	114	953	4.8	36	1	6	5	"InChI=1S/C28H26BrNO6/c1-13-9-15(29)10-14(2)22(13)30-27(36)26(35)21-25(34)18(20(31)12-28(21,3)4)11-19-23(32)16-7-5-6-8-17(16)24(19)33/h5-10,18-19,21H,11-12H2,1-4H3,(H,30,36)"	CC1=CC(=CC(=C1NC(=O)C(=O)C2C(=O)C(C(=O)CC2(C)C)CC3C(=O)C4=CC=CC=C4C3=O)C)Br	NRIWQIYYJNOLDK-UHFFFAOYSA-N
DG54445	N-(tert-Butyl)-4-iodo-N-methyl-1-cubanecarboxamide	373485	NSC649892; N-(tert-Butyl)-4-iodo-N-methyl-1-cubanecarboxamide; CHEMBL1970931; NSC-649892; NCI60_017397; N-tert-butyl-4-iodo-N-methyl-cubane-1-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649892	.	.	.	.	343.2	C14H18INO	20.3	431	1.8	17	0	1	2	"InChI=1S/C14H18INO/c1-12(2,3)16(4)11(17)13-5-8-6(13)10-7(13)9(5)14(8,10)15/h5-10H,1-4H3"	CC(C)(C)N(C)C(=O)C12C3C4C1C5C2C3C45I	YJYUIOSXPDSMKG-UHFFFAOYSA-N
DG54446	2-Cuban-1-ylsulfanylpyridine	373488	"NSC649895; 2-cuban-1-ylsulfanylpyridine; CHEMBL1988277; NSC-649895; NCI60_017400; 2-(Pentacyclo[4.2.0.0~2,5~.0~3,8~.0~4,7~]oct-1-ylthio)pyridine; Pentacyclo[4.2.0.0~2,5~.0~3,8~.0~4,7~]oct-1-yl 2-pyridinyl sulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649895	.	.	.	.	213.3	C13H11NS	38.2	322	2.3	15	0	2	2	"InChI=1S/C13H11NS/c1-2-4-14-5(3-1)15-13-10-7-6-8(10)12(13)9(6)11(7)13/h1-4,6-12H"	C1=CC=NC(=C1)SC23C4C5C2C6C5C4C36	FDNWKPVMRWJKOL-UHFFFAOYSA-N
DG54447	"1-Chloro-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile"	373493	"1-Chloro-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile; 166671-24-5; NSC649900; MLS002701564; NSC-649900; 1-CHLORO-2-(2-CHLORO-ETHYL)-3-METHYL-BENZO[4,5]IMIDAZO[1,2-A]PYRIDINE-4-CARBONITRILE; Neuro_000357; CHEMBL1729168; ZINC347033; BBL012359; MFCD03861222; STK803179; AKOS000276322; MCULE-7712338597; UPCMLD0ENAT5747537:001; NCI60_017404; SMR001565165; VS-03300; BB 0219302; AE-641/11400686; Pyrido[1, 1-chloro- 2-(2-chloroethyl)-3-methyl-; 1-chloro-2-(2-chloroethyl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile; 13-CHLORO-12-(2-CHLOROETHYL)-11-METHYL-1,8-DIAZATRICYCLO[7.4.0.0(2), ]TRIDECA-2,4,6,8,10,12-HEXAENE-10-CARBONITRILE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649900	.	.	.	.	304.2	C15H11Cl2N3	41.1	407	5.1	20	0	2	2	"InChI=1S/C15H11Cl2N3/c1-9-10(6-7-16)14(17)20-13-5-3-2-4-12(13)19-15(20)11(9)8-18/h2-5H,6-7H2,1H3"	CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCCl)Cl)C#N	FUFPNFLKYVGOQV-UHFFFAOYSA-N
DG54448	"2-methyl-4-[(E)-(2-methyl-1,3-dioxo-5H-pyrimido[1,6-a]benzimidazol-4-yl)azo]-5H-pyrimido[1,6-a]benzimidazole-1,3-dione"	373494	"NSC649902; CHEMBL1991407; NSC-649902; NCI60_017406; Pyrimido[1,6-a]benzimidazole-1,3(2H,5H)-dione, 4,4'-azobis[2-methyl-; 2-methyl-4-[(E)-(2-methyl-1,3-dioxo-5H-pyrimido[1,6-a]benzimidazol-4-yl)azo]-5H-pyrimido[1,6-a]benzimidazole-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649902	.	.	.	.	456.4	C22H16N8O4	130	1010	1.8	34	2	8	2	"InChI=1S/C22H16N8O4/c1-27-19(31)15(17-23-11-7-3-5-9-13(11)29(17)21(27)33)25-26-16-18-24-12-8-4-6-10-14(12)30(18)22(34)28(2)20(16)32/h3-10,23-24H,1-2H3"	CN1C(=O)C(=C2NC3=CC=CC=C3N2C1=O)N=NC4=C5NC6=CC=CC=C6N5C(=O)N(C4=O)C	LJILTGLLBSWQRT-UHFFFAOYSA-N
DG54449	"Benzeneacetamide, N-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)-"	373545	"NSC649998; CHEMBL1985856; Benzeneacetamide, N-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)-; NSC-649998; NCI60_017446; N-(3-chloro-2-oxo-4-phenyl-azetidin-1-yl)-2-phenyl-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649998	.	.	.	.	314.8	C17H15ClN2O2	49.4	417	2.8	22	1	2	3	"InChI=1S/C17H15ClN2O2/c18-15-16(13-9-5-2-6-10-13)20(17(15)22)19-14(21)11-12-7-3-1-4-8-12/h1-10,15-16H,11H2,(H,19,21)"	C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC=CC=C3	AMRYZKMLZXCTLW-UHFFFAOYSA-N
DG54450	N-(3-Chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide	373546	NSC649999; CHEMBL1965644; N-(3-Chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide; NSC-649999; NCI60_017447; N-[3-chloro-2-(2-hydroxyphenyl)-4-oxo-azetidin-1-yl]-2-phenyl-acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649999	.	.	.	.	330.8	C17H15ClN2O3	69.6	453	2.4	23	2	3	3	"InChI=1S/C17H15ClN2O3/c18-15-16(12-8-4-5-9-13(12)21)20(17(15)23)19-14(22)10-11-6-2-1-3-7-11/h1-9,15-16,21H,10H2,(H,19,22)"	C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC=CC=C3O	OWSHVQCLIWFXCE-UHFFFAOYSA-N
DG54451	N-[3-chloro-2-(3-nitrophenyl)-4-oxo-azetidin-1-yl]-2-phenyl-acetamide	373548	NSC650001; CHEMBL1968209; NSC-650001; NCI60_017449; N-[3-chloro-2-(3-nitrophenyl)-4-oxo-azetidin-1-yl]-2-phenyl-acetamide; N-(3-Chloro-2-(3-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650001	.	.	.	.	359.8	C17H14ClN3O4	95.2	533	2.6	25	1	4	3	"InChI=1S/C17H14ClN3O4/c18-15-16(12-7-4-8-13(10-12)21(24)25)20(17(15)23)19-14(22)9-11-5-2-1-3-6-11/h1-8,10,15-16H,9H2,(H,19,22)"	C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC(=CC=C3)[N+](=O)[O-]	AUYJKBXJRLTFGT-UHFFFAOYSA-N
DG54452	"N-(3-Chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide"	373558	"NSC650011; CHEMBL1983306; NSC-650011; N-(3-Chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide; NCI60_017459; N-[3-chloro-2-(3,5-dibromo-2-hydroxy-phenyl)-4-oxo-azetidin-1-yl]-2-phenyl-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650011	.	.	.	.	488.6	C17H13Br2ClN2O3	69.6	518	3.8	25	2	3	3	"InChI=1S/C17H13Br2ClN2O3/c18-10-7-11(16(24)12(19)8-10)15-14(20)17(25)22(15)21-13(23)6-9-4-2-1-3-5-9/h1-5,7-8,14-15,24H,6H2,(H,21,23)"	C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=C(C(=CC(=C3)Br)Br)O	KOVHPMAQLHPRSJ-UHFFFAOYSA-N
DG54453	N-(2-(5-Bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)-2-phenylacetamide	373559	NSC650012; CHEMBL1974807; NSC-650012; N-(2-(5-Bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)-2-phenylacetamide; NCI60_017460; N-[2-(5-bromo-2-hydroxy-phenyl)-3-chloro-4-oxo-azetidin-1-yl]-2-phenyl-acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650012	.	.	.	.	409.7	C17H14BrClN2O3	69.6	487	3.1	24	2	3	3	"InChI=1S/C17H14BrClN2O3/c18-11-6-7-13(22)12(9-11)16-15(19)17(24)21(16)20-14(23)8-10-4-2-1-3-5-10/h1-7,9,15-16,22H,8H2,(H,20,23)"	C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=C(C=CC(=C3)Br)O	KLEYOPKIZRULRG-UHFFFAOYSA-N
DG54454	3-(3-Chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone	373561	NSC650014; 3-(3-Chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone; CHEMBL1988142; NSC-650014; NCI60_017462; 3-[3-chloro-2-(2-hydroxyphenyl)-4-oxo-azetidin-1-yl]quinazolin-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650014	.	.	.	.	341.7	C17H12ClN3O3	73.2	569	2.2	24	1	4	1	"InChI=1S/C17H12ClN3O3/c18-14-15(11-6-2-4-8-13(11)22)21(17(14)24)20-9-19-12-7-3-1-5-10(12)16(20)23/h1-9,14-15,22H"	C1=CC=C(C(=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl)O	CHXUHSDBJMLMFR-UHFFFAOYSA-N
DG54455	3-(3-Chloro-2-(3-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone	373562	NSC650015; 3-(3-Chloro-2-(3-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone; CHEMBL1991087; NSC-650015; NCI60_017463; 3-[3-chloro-2-(3-hydroxyphenyl)-4-oxo-azetidin-1-yl]quinazolin-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650015	.	.	.	.	341.7	C17H12ClN3O3	73.2	569	2.2	24	1	4	1	"InChI=1S/C17H12ClN3O3/c18-14-15(10-4-3-5-11(22)8-10)21(17(14)24)20-9-19-13-7-2-1-6-12(13)16(20)23/h1-9,14-15,22H"	C1=CC=C2C(=C1)C(=O)N(C=N2)N3C(C(C3=O)Cl)C4=CC(=CC=C4)O	QHWVJCXJMUIIBL-UHFFFAOYSA-N
DG54456	3-[3-Chloro-2-(4-nitrophenyl)-4-oxo-azetidin-1-yl]quinazolin-4-one	373565	NSC650018; CHEMBL1975612; NSC-650018; NCI60_017466; 3-[3-chloro-2-(4-nitrophenyl)-4-oxo-azetidin-1-yl]quinazolin-4-one; 3-(3-Chloro-2-(4-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650018	.	.	.	.	370.7	C17H11ClN4O4	98.8	643	2.4	26	0	5	1	"InChI=1S/C17H11ClN4O4/c18-14-15(10-5-7-11(8-6-10)22(25)26)21(17(14)24)20-9-19-13-4-2-1-3-12(13)16(20)23/h1-9,14-15H"	C1=CC=C2C(=C1)C(=O)N(C=N2)N3C(C(C3=O)Cl)C4=CC=C(C=C4)[N+](=O)[O-]	VTOPRLOHDFOJDB-UHFFFAOYSA-N
DG54457	3-(3-Chloro-2-(2-chlorophenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone	373568	NSC650021; 3-(3-Chloro-2-(2-chlorophenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone; CHEMBL1968119; NSC-650021; NCI60_017469; 3-[3-chloro-2-(2-chlorophenyl)-4-oxo-azetidin-1-yl]quinazolin-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650021	.	.	.	.	360.2	C17H11Cl2N3O2	53	570	3.2	24	0	3	1	"InChI=1S/C17H11Cl2N3O2/c18-12-7-3-1-5-10(12)15-14(19)17(24)22(15)21-9-20-13-8-4-2-6-11(13)16(21)23/h1-9,14-15H"	C1=CC=C(C(=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl)Cl	UTFVGRNGKLFYML-UHFFFAOYSA-N
DG54458	3-(3-Chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone	373571	NSC650024; 3-(3-Chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone; CHEMBL1972011; NSC-650024; NCI60_017472; 3-[3-chloro-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-azetidin-1-yl]quinazolin-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650024	.	.	.	.	371.8	C18H14ClN3O4	82.4	615	2.2	26	1	5	2	"InChI=1S/C18H14ClN3O4/c1-26-14-8-10(6-7-13(14)23)16-15(19)18(25)22(16)21-9-20-12-5-3-2-4-11(12)17(21)24/h2-9,15-16,23H,1H3"	COC1=C(C=CC(=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl)O	FJQMRKUEMXWJCB-UHFFFAOYSA-N
DG54459	3-(2-(5-Bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)-4(3H)-quinazolinone	373572	NSC650025; 3-(2-(5-Bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)-4(3H)-quinazolinone; CHEMBL1968470; NSC-650025; NCI60_017473; 3-[2-(5-bromo-2-hydroxy-phenyl)-3-chloro-4-oxo-azetidin-1-yl]quinazolin-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650025	.	.	.	.	420.6	C17H11BrClN3O3	73.2	604	2.9	25	1	4	1	"InChI=1S/C17H11BrClN3O3/c18-9-5-6-13(23)11(7-9)15-14(19)17(25)22(15)21-8-20-12-4-2-1-3-10(12)16(21)24/h1-8,14-15,23H"	C1=CC=C2C(=C1)C(=O)N(C=N2)N3C(C(C3=O)Cl)C4=C(C=CC(=C4)Br)O	XGSHANLWPNTAHV-UHFFFAOYSA-N
DG54460	"2-(2-(2,4,5-Tris(2-(2-formylphenoxy)ethoxy)phenoxy)ethoxy)benzaldehyde"	373590	"NSC650043; 2-(2-(2,4,5-Tris(2-(2-formylphenoxy)ethoxy)phenoxy)ethoxy)benzaldehyde; 2-[2-[2,4,5-tris[2-(2-formylphenoxy)ethoxy]phenoxy]ethoxy]benzaldehyde; CHEMBL1976728; ZINC82170917; NSC-650043; NCI60_017491"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650043	.	.	.	.	734.7	C42H38O12	142	914	6.3	54	0	12	24	"InChI=1S/C42H38O12/c43-27-31-9-1-5-13-35(31)47-17-21-51-39-25-41(53-23-19-49-37-15-7-3-11-33(37)29-45)42(54-24-20-50-38-16-8-4-12-34(38)30-46)26-40(39)52-22-18-48-36-14-6-2-10-32(36)28-44/h1-16,25-30H,17-24H2"	C1=CC=C(C(=C1)C=O)OCCOC2=CC(=C(C=C2OCCOC3=CC=CC=C3C=O)OCCOC4=CC=CC=C4C=O)OCCOC5=CC=CC=C5C=O	ZOGKENMIMVPTEB-UHFFFAOYSA-N
DG54461	"2-Ethyl 6-methyl 3-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,6-thiomorpholinedicarboxylate 1,1-dioxide"	373600	"NSC650204; 2-Ethyl 6-methyl 3-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,6-thiomorpholinedicarboxylate 1,1-dioxide; CHEMBL1965276; NSC-650204; NCI60_017501; O2-ethyl O6-methyl 3-(2,4-dichlorophenyl)-1,1-dioxo-5-(p-tolyl)-1,4-thiazinane-2,6-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650204	.	.	.	.	500.4	C22H23Cl2NO6S	107	780	3.9	32	1	7	7	"InChI=1S/C22H23Cl2NO6S/c1-4-31-22(27)20-18(15-10-9-14(23)11-16(15)24)25-17(13-7-5-12(2)6-8-13)19(21(26)30-3)32(20,28)29/h5-11,17-20,25H,4H2,1-3H3"	CCOC(=O)C1C(NC(C(S1(=O)=O)C(=O)OC)C2=CC=C(C=C2)C)C3=C(C=C(C=C3)Cl)Cl	SJEOLIGCEZZSJQ-UHFFFAOYSA-N
DG54462	"2,5,11-trimethyl-9-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-2-ium;iodide"	373608	NSC650259; CHEMBL58014; NSC-650259	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650259	.	.	.	.	486.3	C20H18F3IN2O	28.9	514	.	27	1	5	2	"InChI=1S/C20H17F3N2O.HI/c1-11-16-9-25(3)7-6-14(16)12(2)19-18(11)15-8-13(4-5-17(15)24-19)26-10-20(21,22)23;/h4-9H,10H2,1-3H3;1H"	CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OCC(F)(F)F)C)C.[I-]	ODHDMKBQMIMXDY-UHFFFAOYSA-N
DG54463	"2,5,11-trimethyl-9-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-2-ium;acetate"	373610	NSC650260; CHEMBL58238; NSC-650260	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650260	.	.	.	.	418.4	C22H21F3N2O3	69	539	.	30	1	6	2	"InChI=1S/C20H17F3N2O.C2H4O2/c1-11-16-9-25(3)7-6-14(16)12(2)19-18(11)15-8-13(4-5-17(15)24-19)26-10-20(21,22)23;1-2(3)4/h4-9H,10H2,1-3H3;1H3,(H,3,4)"	CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OCC(F)(F)F)C)C.CC(=O)[O-]	LVQBFIKWQDJHAH-UHFFFAOYSA-N
DG54464	"9-ethoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;iodide"	373612	NSC650262; CHEMBL59348; NSC-650262	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650262	.	.	.	.	432.3	C20H21IN2O	28.9	428	.	24	1	2	2	"InChI=1S/C20H20N2O.HI/c1-5-23-14-6-7-18-16(10-14)19-12(2)17-11-22(4)9-8-15(17)13(3)20(19)21-18;/h6-11H,5H2,1-4H3;1H"	CCOC1=CC2=C(C=C1)NC3=C2C(=C4C=[N+](C=CC4=C3C)C)C.[I-]	UPNQHZJZSOKBEN-UHFFFAOYSA-N
DG54465	"9-ethoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;acetate"	373614	NSC650263; CHEMBL301847; NSC-650263	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650263	.	.	.	.	364.4	C22H24N2O3	69	453	.	27	1	3	2	"InChI=1S/C20H20N2O.C2H4O2/c1-5-23-14-6-7-18-16(10-14)19-12(2)17-11-22(4)9-8-15(17)13(3)20(19)21-18;1-2(3)4/h6-11H,5H2,1-4H3;1H3,(H,3,4)"	CCOC1=CC2=C(C=C1)NC3=C2C(=C4C=[N+](C=CC4=C3C)C)C.CC(=O)[O-]	VSRZRDQHIOJNFU-UHFFFAOYSA-N
DG54466	"2,5,11-trimethyl-9-propan-2-yloxy-6H-pyrido[4,3-b]carbazol-2-ium;iodide"	373616	NSC650265; CHEMBL61409; NSC-650265	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650265	.	.	.	.	446.3	C21H23IN2O	28.9	453	.	25	1	2	2	"InChI=1S/C21H22N2O.HI/c1-12(2)24-15-6-7-19-17(10-15)20-13(3)18-11-23(5)9-8-16(18)14(4)21(20)22-19;/h6-12H,1-5H3;1H"	CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC(C)C)C)C.[I-]	JVWHPCIZZMIHEV-UHFFFAOYSA-N
DG54467	"2,5,11-trimethyl-9-propan-2-yloxy-6H-pyrido[4,3-b]carbazol-2-ium;acetate"	373618	NSC650266; CHEMBL62237; NSC-650266	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650266	.	.	.	.	378.5	C23H26N2O3	69	479	.	28	1	3	2	"InChI=1S/C21H22N2O.C2H4O2/c1-12(2)24-15-6-7-19-17(10-15)20-13(3)18-11-23(5)9-8-16(18)14(4)21(20)22-19;1-2(3)4/h6-12H,1-5H3;1H3,(H,3,4)"	CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC(C)C)C)C.CC(=O)[O-]	YKYPYLOXSORLKZ-UHFFFAOYSA-N
DG54468	9-Phenoxyellipticine	373619	9-Phenoxyellipticine; NSC650267; CHEMBL61806; NSC-650267; NCI60_017518	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650267	.	.	.	.	338.4	C23H18N2O	37.9	491	6.3	26	1	2	2	"InChI=1S/C23H18N2O/c1-14-20-13-24-11-10-18(20)15(2)23-22(14)19-12-17(8-9-21(19)25-23)26-16-6-4-3-5-7-16/h3-13,25H,1-2H3"	CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OC5=CC=CC=C5)C	KWBOFSPIWPBYEG-UHFFFAOYSA-N
DG54469	"2,5,11-trimethyl-9-phenoxy-6H-pyrido[4,3-b]carbazol-2-ium;iodide"	373620	NSC650268; CHEMBL59414; NSC-650268	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650268	.	.	.	.	480.3	C24H21IN2O	28.9	519	.	28	1	2	2	"InChI=1S/C24H20N2O.HI/c1-15-21-14-26(3)12-11-19(21)16(2)24-23(15)20-13-18(9-10-22(20)25-24)27-17-7-5-4-6-8-17;/h4-14H,1-3H3;1H"	CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC5=CC=CC=C5)C)C.[I-]	WJYRZYQPNFAXSA-UHFFFAOYSA-N
DG54470	"7-Methoxy-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione"	373631	"NSC650351; 7-Methoxy-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione; CHEMBL2001392; NSC-650351; NCI60_017526; 7-methoxy-11-methyl-benzo[a]carbazole-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650351	.	.	.	.	291.3	C18H13NO3	48.3	528	2.8	22	0	3	1	"InChI=1S/C18H13NO3/c1-19-12-4-3-5-15(22-2)16(12)11-7-6-10-13(20)8-9-14(21)17(10)18(11)19/h3-9H,1-2H3"	CN1C2=C(C3=C1C4=C(C=C3)C(=O)C=CC4=O)C(=CC=C2)OC	VTXNAXJBVPSYNE-UHFFFAOYSA-N
DG54471	"11-Butyl-1H-benzo[a]carbazole-1,4(11H)-dione"	373632	"NSC650352; 11-Butyl-1H-benzo[a]carbazole-1,4(11H)-dione; 11-butylbenzo[a]carbazole-1,4-dione; CHEMBL1971374; NSC-650352; NCI60_017527"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650352	.	.	.	.	303.4	C20H17NO2	39.1	526	4.1	23	0	2	3	"InChI=1S/C20H17NO2/c1-2-3-12-21-16-7-5-4-6-13(16)14-8-9-15-17(22)10-11-18(23)19(15)20(14)21/h4-11H,2-3,12H2,1H3"	CCCCN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C=CC4=O	UXCKUUWPUKMVIS-UHFFFAOYSA-N
DG54472	NSC650355	373635	"9-Tert-butyl-16-methoxy-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione; NSC650355; CHEMBL1996231; NSC-650355; NCI60_017530; 5-tert-Butyl-9-methoxy-2-(4-methoxyphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650355	.	.	.	.	486.6	C30H34N2O4	71.6	862	6	36	1	4	4	"InChI=1S/C30H34N2O4/c1-30(2,3)16-6-12-20-21(14-16)25-26(27-24(20)22-15-19(36-5)11-13-23(22)31-27)29(34)32(28(25)33)17-7-9-18(35-4)10-8-17/h7-11,13,15-16,20-21,25-26,31H,6,12,14H2,1-5H3"	CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)OC)C(=O)N(C3=O)C6=CC=C(C=C6)OC	KQVANQKWTJFGRI-UHFFFAOYSA-N
DG54473	"2-(4-Bromophenyl)-5-tert-butyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	373637	"NSC650357; 2-(4-Bromophenyl)-5-tert-butyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; CHEMBL1978892; (4-bromophenyl)-tert-butyl-[ ]dione; NSC-650357; NCI60_017532"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650357	.	.	.	.	505.4	C28H29BrN2O2	53.2	800	6.8	33	1	2	2	"InChI=1S/C28H29BrN2O2/c1-28(2,3)15-8-13-18-20(14-15)23-24(25-22(18)19-6-4-5-7-21(19)30-25)27(33)31(26(23)32)17-11-9-16(29)10-12-17/h4-7,9-12,15,18,20,23-24,30H,8,13-14H2,1-3H3"	CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)Br	RPBYSOIFBNQFLB-UHFFFAOYSA-N
DG54474	"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 3b,4,5,6,7,7a,12,12b-octahydro-2-(4-methoxyphenyl)-"	373640	"NSC650360; Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 3b,4,5,6,7,7a,12,12b-octahydro-2-(4-methoxyphenyl)-; CHEMBL1997086; NSC-650360; NCI60_017535"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650360	.	.	.	.	400.5	C25H24N2O3	62.4	703	4.6	30	1	3	2	"InChI=1S/C25H24N2O3/c1-30-15-12-10-14(11-13-15)27-24(28)21-17-7-3-2-6-16(17)20-18-8-4-5-9-19(18)26-23(20)22(21)25(27)29/h4-5,8-13,16-17,21-22,26H,2-3,6-7H2,1H3"	COC1=CC=C(C=C1)N2C(=O)C3C4CCCCC4C5=C(C3C2=O)NC6=CC=CC=C65	GECBHJXRQAUPDJ-UHFFFAOYSA-N
DG54475	"Cycloocta[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 3b,4,5,6,7,8,9,9a,14,14b-decahydro-2-(4-methoxyphenyl)-"	373642	"NSC650362; Cycloocta[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 3b,4,5,6,7,8,9,9a,14,14b-decahydro-2-(4-methoxyphenyl)-; CHEMBL1974294; NSC-650362; NCI60_017537"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650362	.	.	.	.	428.5	C27H28N2O3	62.4	732	5.7	32	1	3	2	"InChI=1S/C27H28N2O3/c1-32-17-14-12-16(13-15-17)29-26(30)23-19-9-5-3-2-4-8-18(19)22-20-10-6-7-11-21(20)28-25(22)24(23)27(29)31/h6-7,10-15,18-19,23-24,28H,2-5,8-9H2,1H3"	COC1=CC=C(C=C1)N2C(=O)C3C4CCCCCCC4C5=C(C3C2=O)NC6=CC=CC=C65	JTSCEXJIZOCYPM-UHFFFAOYSA-N
DG54476	"2-(4-Methoxyphenyl)-3b,4,5,6,7,8,9,10,11,12,13,13a,18,18b-tetradecahydrocyclododeca[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	373643	"NSC650363; 2-(4-Methoxyphenyl)-3b,4,5,6,7,8,9,10,11,12,13,13a,18,18b-tetradecahydrocyclododeca[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; CHEMBL1990596; NSC-650363; NCI60_017538"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650363	.	.	.	.	484.6	C31H36N2O3	62.4	793	7.8	36	1	3	2	"InChI=1S/C31H36N2O3/c1-36-21-18-16-20(17-19-21)33-30(34)27-23-13-9-7-5-3-2-4-6-8-12-22(23)26-24-14-10-11-15-25(24)32-29(26)28(27)31(33)35/h10-11,14-19,22-23,27-28,32H,2-9,12-13H2,1H3"	COC1=CC=C(C=C1)N2C(=O)C3C4CCCCCCCCCCC4C5=C(C3C2=O)NC6=CC=CC=C65	CYCJNRNAHZIKNF-UHFFFAOYSA-N
DG54477	"2-(4-Methoxyphenyl)-5-(4-methylphenyl)-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	373645	"NSC650365; 2-(4-Methoxyphenyl)-5-(4-methylphenyl)-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; CHEMBL1967010; NSC-650365; NCI60_017540; 2-(4-methoxyphenyl)-5-(p-tolyl)-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650365	.	.	.	.	436.5	C28H24N2O3	62.4	754	4.8	33	1	3	3	"InChI=1S/C28H24N2O3/c1-16-7-9-17(10-8-16)21-15-22-25(26-24(21)20-5-3-4-6-23(20)29-26)28(32)30(27(22)31)18-11-13-19(33-2)14-12-18/h3-14,21-22,25,29H,15H2,1-2H3"	CC1=CC=C(C=C1)C2CC3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC	IIWGYBSSXDFKAD-UHFFFAOYSA-N
DG54478	"5-(4-Bromophenyl)-2-(4-methoxyphenyl)-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	373646	"NSC650366; 5-(4-Bromophenyl)-2-(4-methoxyphenyl)-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; CHEMBL2007345; NSC-650366; 5-(4-bromophenyl)-2-(4-methoxyphenyl)-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione; NCI60_017541"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650366	.	.	.	.	501.4	C27H21BrN2O3	62.4	761	5.1	33	1	3	3	"InChI=1S/C27H21BrN2O3/c1-33-18-12-10-17(11-13-18)30-26(31)21-14-20(15-6-8-16(28)9-7-15)23-19-4-2-3-5-22(19)29-25(23)24(21)27(30)32/h2-13,20-21,24,29H,14H2,1H3"	COC1=CC=C(C=C1)N2C(=O)C3CC(C4=C(C3C2=O)NC5=CC=CC=C54)C6=CC=C(C=C6)Br	BTIBBLIGJHWIEC-UHFFFAOYSA-N
DG54479	"10-Ethyl-2,5-diphenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	373647	"NSC650367; 10-Ethyl-2,5-diphenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; CHEMBL1988054; NSC-650367; 10-ethyl-2,5-diphenyl-3a,4,5,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3-dione; NCI60_017542"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650367	.	.	.	.	420.5	C28H24N2O2	42.3	725	4.7	32	0	2	3	"InChI=1S/C28H24N2O2/c1-2-29-23-16-10-9-15-20(23)24-21(18-11-5-3-6-12-18)17-22-25(26(24)29)28(32)30(27(22)31)19-13-7-4-8-14-19/h3-16,21-22,25H,2,17H2,1H3"	CCN1C2=CC=CC=C2C3=C1C4C(CC3C5=CC=CC=C5)C(=O)N(C4=O)C6=CC=CC=C6	GIGCLYBFUBFOQU-UHFFFAOYSA-N
DG54480	"1,2,3,3a,4,5,6,10c-Octahydrocyclopenta[c]carbazole-4-carboxylic acid"	373650	"NSC650370; 1,2,3,3a,4,5,6,10c-Octahydrocyclopenta[c]carbazole-4-carboxylic acid; CHEMBL1983602; NSC-650370; NCI60_017545"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650370	.	.	.	.	255.31	C16H17NO2	53.1	383	3.4	19	2	2	1	"InChI=1S/C16H17NO2/c18-16(19)12-8-14-15(10-6-3-5-9(10)12)11-4-1-2-7-13(11)17-14/h1-2,4,7,9-10,12,17H,3,5-6,8H2,(H,18,19)"	C1CC2C(C1)C3=C(CC2C(=O)O)NC4=CC=CC=C43	KLONMZIUAZJRTF-UHFFFAOYSA-N
DG54481	"(8Bs,13as)-3,6,7-trimethoxy-8b,9,11,12,13,13a-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinolin-4-ol"	373660	"(8bs,13as)-3,6,7-trimethoxy-8b,9,11,12,13,13a-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinolin-4-ol; 138964-88-2; (8bS,13aS)-3,6,7-trimethoxy-8b,9,11,12,13,13a-hexahydrophenanthro[9,10-f]indolizin-4-ol; Tyloindicine H; NSC650395; CHEMBL1970992; DTXSID30327373; NSC-650395; NCI60_017551; A807481; Dibenzo[f,2-b]isoquinolin-4-ol, 8b,9,11,12,13,13a-hexahydro-3,6,7-trimethoxy-, (8bS,13aS)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650395	.	.	.	.	379.4	C23H25NO4	51.2	609	3.4	28	1	5	3	"InChI=1S/C23H25NO4/c1-26-19-7-6-14-15-9-13-5-4-8-24(13)12-18(15)16-10-20(27-2)21(28-3)11-17(16)22(14)23(19)25/h6-7,9-11,13,18,25H,4-5,8,12H2,1-3H3/t13-,18-/m0/s1"	COC1=C(C2=C(C=C1)C3=C[C@@H]4CCCN4C[C@@H]3C5=CC(=C(C=C52)OC)OC)O	KXSJHSREHJDQJT-UGSOOPFHSA-N
DG54482	"5-[(8As)-6-(3,4-dimethoxyphenyl)-1,2,3,8a-tetrahydroindolizin-7-yl]-2,3-dimethoxyphenol"	373661	"138935-52-1; Tyloindicine I; NSC650396; 5-[(8as)-6-(3,4-dimethoxyphenyl)-1,2,3,8a-tetrahydroindolizin-7-yl]-2,3-dimethoxyphenol; CHEMBL1970704; DTXSID90327374; NSC-650396; NCI60_017552; Phenol,4-dimethoxyphenyl)-1,2,3,8a-tetrahydro- 7-indolizinyl]-2,3-dimethoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650396	.	.	.	.	409.5	C24H27NO5	60.4	650	3.7	30	1	6	6	"InChI=1S/C24H27NO5/c1-27-21-8-7-15(11-22(21)28-2)19-14-25-9-5-6-17(25)13-18(19)16-10-20(26)24(30-4)23(12-16)29-3/h7-8,10-14,17,26H,5-6,9H2,1-4H3/t17-/m0/s1"	COC1=C(C=C(C=C1)C2=CN3CCC[C@H]3C=C2C4=CC(=C(C(=C4)OC)OC)O)OC	ZFICSRNQVIMLDY-KRWDZBQOSA-N
DG54483	Budmunchiamine A	373662	"Budmunchiamine A; NSC650436; CHEMBL469081; SCHEMBL5698679; 1,9,13-Trimethyl-8-undecyl-1,5,9,13-tetraazacycloheptadecan-6-one; 1,9,13-trimethyl-8-undecyl-1,5,9,13-tetrazacycloheptadecan-6-one; NSC-650436; NCI60_017555"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650436	.	.	.	.	452.8	C27H56N4O	38.8	445	6.4	32	1	4	10	"InChI=1S/C27H56N4O/c1-5-6-7-8-9-10-11-12-13-18-26-25-27(32)28-19-16-22-29(2)20-14-15-21-30(3)23-17-24-31(26)4/h26H,5-25H2,1-4H3,(H,28,32)"	CCCCCCCCCCCC1CC(=O)NCCCN(CCCCN(CCCN1C)C)C	HQMOQVLQJSZUTH-UHFFFAOYSA-N
DG54484	"2-Methyl-9-[(Z)-phenylimino]naphth[2,3-d]oxazol-4-one"	373683	"NSC650574; CHEMBL159961; NSC-650574; NCI60_017572; 2-Methyl-9-[(Z)-phenylimino]naphth[2,3-d]oxazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650574	.	.	.	.	288.3	C18H12N2O2	55.5	470	4.2	22	0	4	1	"InChI=1S/C18H12N2O2/c1-11-19-16-17(21)14-10-6-5-9-13(14)15(18(16)22-11)20-12-7-3-2-4-8-12/h2-10H,1H3"	CC1=NC2=C(O1)C(=NC3=CC=CC=C3)C4=CC=CC=C4C2=O	MWYYVCOAWMLWKK-UHFFFAOYSA-N
DG54485	"3-Allyl-7-mercapto-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione"	373690	"NSC650582; CHEMBL2007416; 3-Allyl-7-mercapto-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione; NSC-650582; NCI60_017580; 3-allyl-7-sulfanyl-6,7-dihydrothiazolo[4,5-d]pyrimidine-2-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650582	.	.	.	.	243.4	C8H9N3S3	86	348	1.2	14	2	4	2	"InChI=1S/C8H9N3S3/c1-2-3-11-6-5(14-8(11)13)7(12)10-4-9-6/h2,4,7,12H,1,3H2,(H,9,10)"	C=CCN1C2=C(C(N=CN2)S)SC1=S	IVARXRNWUSMIOK-UHFFFAOYSA-N
DG54486	"4,5-Bis(3,4-dimethoxyphenyl)isoxazole"	373704	"4,5-Bis(3,4-dimethoxyphenyl)isoxazole; NSC650596; CHEMBL1972261; NSC-650596; NCI60_017594"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650596	.	.	.	.	341.4	C19H19NO5	63	409	3.5	25	0	6	6	"InChI=1S/C19H19NO5/c1-21-15-7-5-12(9-17(15)23-3)14-11-20-25-19(14)13-6-8-16(22-2)18(10-13)24-4/h5-11H,1-4H3"	COC1=C(C=C(C=C1)C2=C(ON=C2)C3=CC(=C(C=C3)OC)OC)OC	MXIZUVYLEZMWCG-UHFFFAOYSA-N
DG54487	"3-Chloro-2-(3,4-dimethoxyphenyl)-1,5,6-trimethoxy-1H-indene"	373705	"NSC650597; 3-Chloro-2-(3,4-dimethoxyphenyl)-1,5,6-trimethoxy-1H-indene; CHEMBL2001633; NSC-650597; NCI60_017595"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650597	.	.	.	.	376.8	C20H21ClO5	46.2	510	3.5	26	0	5	6	"InChI=1S/C20H21ClO5/c1-22-14-7-6-11(8-15(14)23-2)18-19(21)12-9-16(24-3)17(25-4)10-13(12)20(18)26-5/h6-10,20H,1-5H3"	COC1C2=CC(=C(C=C2C(=C1C3=CC(=C(C=C3)OC)OC)Cl)OC)OC	MVHXQJNXLZHNFP-UHFFFAOYSA-N
DG54488	"(5-Methyl-2-oxido-1,3,2-dioxathian-5-yl)methanol"	373710	"NSC650611; (5-Methyl-2-oxido-1,3,2-dioxathian-5-yl)methanol; (5-methyl-2-oxo-1,3,2-dioxathian-5-yl)methanol; CHEMBL1985078; sulfurous acid-(2-hydroxymethyl-2-methyl-propanediyl ester); ZINC5741581; NSC-650611; 109485-55-4; NCI60_017601"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650611	.	.	.	.	166.2	C5H10O4S	75	137	-0.1	10	1	5	1	"InChI=1S/C5H10O4S/c1-5(2-6)3-8-10(7)9-4-5/h6H,2-4H2,1H3"	CC1(COS(=O)OC1)CO	JFPIBVKMGJPJRZ-UHFFFAOYSA-N
DG54489	"Diethyl 1,3,2-dioxathiane-5,5-dicarboxylate 2-oxide"	373713	"NSC650614; Diethyl 1,3,2-dioxathiane-5,5-dicarboxylate 2-oxide; diethyl 2-oxo-1,3,2-dioxathiane-5,5-dicarboxylate; CHEMBL2006637; ZINC1632236; NSC-650614; NCI60_017604"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650614	.	.	.	.	266.27	C9H14O7S	107	297	0.5	17	0	8	6	"InChI=1S/C9H14O7S/c1-3-13-7(10)9(8(11)14-4-2)5-15-17(12)16-6-9/h3-6H2,1-2H3"	CCOC(=O)C1(COS(=O)OC1)C(=O)OCC	NPDBYXRRUQDGPW-UHFFFAOYSA-N
DG54490	"Diethyl 3,3-thietanedicarboxylate"	373714	"NSC650615; Diethyl 3,3-thietanedicarboxylate; diethyl thietane-3,3-dicarboxylate; CHEMBL1983564; ZINC1632237; NSC-650615; NCI60_017605"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650615	.	.	.	.	218.27	C9H14O4S	77.9	215	1.2	14	0	5	6	"InChI=1S/C9H14O4S/c1-3-12-7(10)9(5-14-6-9)8(11)13-4-2/h3-6H2,1-2H3"	CCOC(=O)C1(CSC1)C(=O)OCC	WDWZOPYWJZDZTR-UHFFFAOYSA-N
DG54491	N-Allyl-4-methyl-N-(2-(((4-methylphenyl)sulfonyl)amino)ethyl)benzenesulfonamide	373716	NSC650617; CHEMBL1968948; ZINC1632239; NSC-650617; N-Allyl-4-methyl-N-(2-(((4-methylphenyl)sulfonyl)amino)ethyl)benzenesulfonamide; NCI60_017607; N-[2-[allyl(p-tolylsulfonyl)amino]ethyl]-4-methyl-benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650617	.	.	.	.	408.5	C19H24N2O4S2	100	664	3.1	27	1	6	9	"InChI=1S/C19H24N2O4S2/c1-4-14-21(27(24,25)19-11-7-17(3)8-12-19)15-13-20-26(22,23)18-9-5-16(2)6-10-18/h4-12,20H,1,13-15H2,2-3H3"	CC1=CC=C(C=C1)S(=O)(=O)NCCN(CC=C)S(=O)(=O)C2=CC=C(C=C2)C	PAGGCYIMQFERAQ-UHFFFAOYSA-N
DG54492	"1,4-Ditosyl-1,4-diazepane"	373718	"1,4-ditosyl-1,4-diazepane; 5769-35-7; NSC650619; 1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazepane; 1,4-bis[(4-methylphenyl)sulfonyl]-1,4-diazepane; 1,4-Bis((4-methylphenyl)sulfonyl)-1,4-diazepane; 1,4-bis(4-methylbenzenesulfonyl)-1,4-diazepane; SMR000071732; Oprea1_290650; Oprea1_495828; MLS000088368; MLS002541365; CHEMBL1349466; HMS2357G24; QC-48; 1H-1,4-Diazepine, hexahydro-1,4-bis[(4-methylphenyl)sulfonyl]-; ZINC1140134; CCG-24209; MFCD01871709; STK354132; AKOS001355012; MCULE-4462771906; NSC-650619; s10067; UPCMLD0ENAT5801544:001; 1,4-bis(p-tolylsulfonyl)-1,4-diazepane; NCI60_017609; CS-0161846; 8P-015; A869610; Z133942664"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650619	.	.	.	.	408.5	C19H24N2O4S2	91.5	620	2.8	27	0	6	4	"InChI=1S/C19H24N2O4S2/c1-16-4-8-18(9-5-16)26(22,23)20-12-3-13-21(15-14-20)27(24,25)19-10-6-17(2)7-11-19/h4-11H,3,12-15H2,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C	ORANQSHSAIBPEC-UHFFFAOYSA-N
DG54493	4-Methyl-N-(2-((2-((2-(((4-methylphenyl)sulfonyl)amino)ethyl)thio)ethyl)thio)ethyl)benzenesulfonamide	373724	NSC650626; CHEMBL1971099; ZINC5839454; ZINC05839454; NSC-650626; 4-Methyl-N-(2-((2-((2-(((4-methylphenyl)sulfonyl)amino)ethyl)thio)ethyl)thio)ethyl)benzenesulfonamide; NCI60_017615; 4-methyl-N-[2-[2-[2-(p-tolylsulfonylamino)ethylsulfanyl]ethylsulfanyl]ethyl]benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650626	.	.	.	.	488.7	C20H28N2O4S4	160	613	3.6	30	2	8	13	"InChI=1S/C20H28N2O4S4/c1-17-3-7-19(8-4-17)29(23,24)21-11-13-27-15-16-28-14-12-22-30(25,26)20-9-5-18(2)6-10-20/h3-10,21-22H,11-16H2,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)NCCSCCSCCNS(=O)(=O)C2=CC=C(C=C2)C	ARKGBWNKRGOHOA-UHFFFAOYSA-N
DG54494	N-(3-((2-Aminoethyl)thio)propyl)-4-methylbenzenesulfonamide	373726	NSC650628; CHEMBL1986351; N-(3-((2-Aminoethyl)thio)propyl)-4-methylbenzenesulfonamide; ZINC1632249; NSC-650628; NCI60_017617; N-[3-(2-aminoethylsulfanyl)propyl]-4-methyl-benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650628	.	.	.	.	288.4	C12H20N2O2S2	106	307	1.3	18	2	5	8	"InChI=1S/C12H20N2O2S2/c1-11-3-5-12(6-4-11)18(15,16)14-8-2-9-17-10-7-13/h3-6,14H,2,7-10,13H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)NCCCSCCN	PYOJZWAJQZSOND-UHFFFAOYSA-N
DG54495	"3-ethylsulfanyl-N,N-bis(3-ethylsulfanylpropyl)propan-1-amine"	373738	"NSC650637; CHEMBL2006814; 3-(Ethylthio)-N,N-bis(3-(ethylthio)propyl)-1-propanamine; 3-ethylsulfanyl-N,N-bis(3-ethylsulfanylpropyl)propan-1-amine; N,N,N-Tris(3-(ethylthio)propyl)amine; NSC-650637; NCI60_017625"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650637	.	.	.	.	323.6	C15H33NS3	79.1	139	4.4	19	0	4	15	"InChI=1S/C15H33NS3/c1-4-17-13-7-10-16(11-8-14-18-5-2)12-9-15-19-6-3/h4-15H2,1-3H3"	CCSCCCN(CCCSCC)CCCSCC	ZIDLCNFPTORJAZ-UHFFFAOYSA-N
DG54496	"3,7-Dithia-1,9-nonanedithiol"	373740	"3,7-Dithia-1,9-nonanedithiol; 25676-62-4; 2-[3-(2-sulfanylethylsulfanyl)propylsulfanyl]ethanethiol; NSC650639; 1,3-Bis(2-mercaptoethylthio)propane; SCHEMBL331119; 1,4,8,11-tetrathiaundecane; 1,4,8,11-tetra-thiaundecane; CHEMBL1981348; DTXSID60327381; ZINC5496851; MFCD00506918; 2,2'-(Trimethylenedithio)diethanethiol; NSC-650639; NCI60_017627; D2852; T70668; J-016101; 2,2'-(propane-1,3-diylbis(sulfanediyl))diethanethiol; 2-((3-((2-Mercaptoethyl)thio)propyl)thio)ethanethiol; 2-((3-((2-Mercaptoethyl)thio)propyl)thio)ethyl hydrosulfide; 2-({3-[(2-sulfanylethyl)sulfanyl]propyl}sulfanyl)ethane-1-thiol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650639	.	.	.	.	228.5	C7H16S4	52.6	59.5	2.5	11	2	4	8	"InChI=1S/C7H16S4/c8-2-6-10-4-1-5-11-7-3-9/h8-9H,1-7H2"	C(CSCCS)CSCCS	XYHKMRNYSMEEDT-UHFFFAOYSA-N
DG54497	1-(Ethylthio)-3-((2-(ethylthio)ethyl)thio)propane	373742	NSC650641; 1-(Ethylthio)-3-((2-(ethylthio)ethyl)thio)propane; 1-ethylsulfanyl-3-(2-ethylsulfanylethylsulfanyl)propane; CHEMBL1965413; ZINC1632258; NSC-650641; NCI60_017629	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650641	.	.	.	.	224.5	C9H20S3	75.9	76.2	3.3	12	0	3	9	"InChI=1S/C9H20S3/c1-3-10-6-5-7-12-9-8-11-4-2/h3-9H2,1-2H3"	CCSCCCSCCSCC	ACAPRVBOGFLZJR-UHFFFAOYSA-N
DG54498	3-((2-((3-Hydroxypropyl)thio)phenyl)thio)-1-propanol	373745	NSC650644; 3-((2-((3-Hydroxypropyl)thio)phenyl)thio)-1-propanol; CHEMBL1995212; 3-[2-(3-hydroxypropylsulfanyl)phenyl]sulfanylpropan-1-ol; ZINC1632261; NSC-650644; NCI60_017632	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650644	.	.	.	.	258.399	C12H18O2S2	91.1	149	2.3	16	2	4	8	"InChI=1S/C12H18O2S2/c13-7-3-9-15-11-5-1-2-6-12(11)16-10-4-8-14/h1-2,5-6,13-14H,3-4,7-10H2"	C1=CC=C(C(=C1)SCCCO)SCCCO	BNYRAEKXYGLTGS-UHFFFAOYSA-N
DG54499	"Dimethyl 2-[4-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]but-2-ynylidene]-1,3-dithiole-4,5-dicarboxylate"	373752	"NSC650706; 1,3-Dithiole-4,5-dicarboxylic acid, 2,2'-(2-butyne-1,4-diylidene)bis-, tetramethyl ester; CHEMBL1968102; NSC-650706; dimethyl 2-[4-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]but-2-ynylidene]-1,3-dithiole-4,5-dicarboxylate; NCI60_017638; 1,4-Bis[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-2-butyne"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650706	.	.	.	.	486.6	C18H14O8S4	206	854	3.8	30	0	12	8	"InChI=1S/C18H14O8S4/c1-23-15(19)11-12(16(20)24-2)28-9(27-11)7-5-6-8-10-29-13(17(21)25-3)14(30-10)18(22)26-4/h7-8H,1-4H3"	COC(=O)C1=C(SC(=CC#CC=C2SC(=C(S2)C(=O)OC)C(=O)OC)S1)C(=O)OC	AXGZNBYSMRUWAA-UHFFFAOYSA-N
DG54500	"1,5-Bis(2-hydroxy-5-methyl-phenyl)pentane-1,5-dione"	373754	"NSC650708; NSC-650708; CHEMBL441309; ZINC1632265; NCI60_017640; 1,5-bis(2-hydroxy-5-methyl-phenyl)pentane-1,5-dione; 1,5-bis(2-hydroxy-5-methylphenyl)-1,5-pentanedione; 1,5-Bis-(2-hydroxy-5-methyl-phenyl)-pentane-1,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650708	.	.	.	.	312.4	C19H20O4	74.6	382	4.3	23	2	4	6	"InChI=1S/C19H20O4/c1-12-6-8-18(22)14(10-12)16(20)4-3-5-17(21)15-11-13(2)7-9-19(15)23/h6-11,22-23H,3-5H2,1-2H3"	CC1=CC(=C(C=C1)O)C(=O)CCCC(=O)C2=C(C=CC(=C2)C)O	QWHXJUHCUIGLPY-UHFFFAOYSA-N
DG54501	"9-Butyl-10-oxido-1,2,3,4,5,6,7,8-octahydroacridin-10-ium"	373774	"NSC650738; SCHEMBL9405014; 9-butyl-1,2,3,4,5,6,7,8-octahydroacridine-N-oxide; CHEMBL1969216; 9-butyl-10-oxido-1,2,3,4,5,6,7,8-octahydroacridin-10-ium; NSC-650738; NCI60_017659; 9-n-butyl-1,2,3,4,5,6,7,8-octahydroacridine-N-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650738	.	.	.	.	259.399	C17H25NO	25.5	269	4.2	19	0	1	3	"InChI=1S/C17H25NO/c1-2-3-8-13-14-9-4-6-11-16(14)18(19)17-12-7-5-10-15(13)17/h2-12H2,1H3"	CCCCC1=C2CCCCC2=[N+](C3=C1CCCC3)[O-]	YCUNAVCEFWRALJ-UHFFFAOYSA-N
DG54502	[4-[4-(Sulfanylmethyl)phenyl]phenyl]methanethiol	373780	"43012-19-7; NSC650744; [4-[4-(sulfanylmethyl)phenyl]phenyl]methanethiol; {4-[4-(SULFANYLMETHYL)PHENYL]PHENYL}METHANETHIOL; (4'-(Mercaptomethyl)[1,1'-biphenyl]-4-yl)methanethiol; 1, 4,4'bis(thiomethyl)-; SCHEMBL441726; 4,4'-Bi[benzenemethanethiol]; CHEMBL1971406; 4,4 inverted exclamation marka-Bis(mercaptomethyl)biphenyl; biphenyl-4,4'-diyldimethanethiol; DTXSID60327386; ZINC5497510; NSC-650744; 4,4'-Bis(mercaptomethyl)biphenyl, 97%; NCI60_017665; [1,1'-Biphenyl]-4,4'-diyldimethanethiol; (4'-(Mercaptomethyl)[1,1'-biphenyl]-4-yl)methyl hydrosulfide; 4BP"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650744	.	.	.	.	246.4	C14H14S2	2	167	4.5	16	2	2	3	"InChI=1S/C14H14S2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8,15-16H,9-10H2"	C1=CC(=CC=C1CS)C2=CC=C(C=C2)CS	XFHIDPOTWOFDEM-UHFFFAOYSA-N
DG54503	"4-Methyl-N-(3,4,5-trimethoxybenzyl)aniline"	373798	"4-Methyl-N-(3,4,5-trimethoxybenzyl)aniline; NSC650763; CHEMBL95144; 151221-96-4; NSC650764; Oprea1_218412; 4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline; SCHEMBL9185804; ZINC5826; DTXSID20164739; BDBM50045721; AKOS000243173; NSC-650763; NCI60_017681; NCI60_017682; 4-Methyl-N-(3,5-trimethoxybenzyl)aniline; p-Tolyl-(3,4,5-trimethoxy-benzyl)-amine; N-(3,4,5-Trimethoxybenzyl)-4-methylaniline; 4-Methyl-N-(3,4,5-trimethoxybenzyl) aniline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650763	.	.	.	.	287.35	C17H21NO3	39.7	278	3.7	21	1	4	6	"InChI=1S/C17H21NO3/c1-12-5-7-14(8-6-12)18-11-13-9-15(19-2)17(21-4)16(10-13)20-3/h5-10,18H,11H2,1-4H3"	CC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC	WNPKGWVHMDSGQK-UHFFFAOYSA-N
DG54504	"4-Methyl-N-(3,4,5-trimethoxybenzyl)aniline hydrochloride"	373799	"NSC650764; 4-Methyl-N-(3,4,5-trimethoxybenzyl)aniline hydrochloride; CHEMBL97301; 151222-00-3; SCHEMBL9185952; DTXSID60934195; NSC-650764; 4-Methyl-N-(3,5-trimethoxybenzyl) aniline Hydrochloride; 4-Methyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650764	.	.	.	.	323.8	C17H22ClNO3	39.7	278	.	22	2	4	6	"InChI=1S/C17H21NO3.ClH/c1-12-5-7-14(8-6-12)18-11-13-9-15(19-2)17(21-4)16(10-13)20-3;/h5-10,18H,11H2,1-4H3;1H"	CC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC.Cl	YNUQVPKYSQEUIO-UHFFFAOYSA-N
DG54505	"4-Ethyl-N-(3,4,5-trimethoxybenzyl)aniline"	373800	"4-Ethyl-N-(3,4,5-trimethoxybenzyl)aniline; CHEMBL97291; NSC650766; 151221-97-5; Neuro_000360; Neuro_000361; 4-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline; SCHEMBL9186293; DTXSID30164740; ZINC1632289; BDBM50045723; NSC650765; NSC-650765; 4-Ethyl-N-(3,5-trimethoxybenzyl)aniline; NCI60_017683; NCI60_017684; N-(3,4,5-Trimethoxybenzyl)-4-ethylaniline; (4-Ethyl-phenyl)-(3,4,5-trimethoxy-benzyl)-amine; Benzenamine, 4-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650765	.	.	.	.	301.4	C18H23NO3	39.7	291	4.1	22	1	4	7	"InChI=1S/C18H23NO3/c1-5-13-6-8-15(9-7-13)19-12-14-10-16(20-2)18(22-4)17(11-14)21-3/h6-11,19H,5,12H2,1-4H3"	CCC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC	PVGALIKOSLDYBA-UHFFFAOYSA-N
DG54506	"4-i-Propyl-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride"	373805	"NSC650768; SCHEMBL9185985; CHEMBL1190486; ZINC1632291; NCI60_017686; 4-Isopropyl-N-(3,4,5,-trimethoxybenzyl)aniline; N-(3,4,5-Trimethoxybenzyl)-4-isopropylaniline; 4-isopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline; 4-i-Propyl-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650768	.	.	.	.	315.4	C19H25NO3	39.7	315	4.4	23	1	4	7	"InChI=1S/C19H25NO3/c1-13(2)15-6-8-16(9-7-15)20-12-14-10-17(21-3)19(23-5)18(11-14)22-4/h6-11,13,20H,12H2,1-5H3"	CC(C)C1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC	GHWDIOCKFYFDCD-UHFFFAOYSA-N
DG54507	"4-Ethoxy-N-(3,4,5-trimethoxybenzyl)aniline"	373806	"4-Ethoxy-N-(3,4,5-trimethoxybenzyl)aniline; NSC650769; CHEMBL320911; 4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline; 151221-98-6; NSC650770; 4-Ethoxy-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride; Neuro_000362; Neuro_000363; Oprea1_194499; SCHEMBL9186965; DTXSID40934193; ZINC1632292; BDBM50045727; NSC-650769; NCI60_017687; NCI60_017688; 4-Ethoxy-N-(3,5-trimethoxybenzyl)aniline; N-(3,4,5-Trimethoxybenzyl)-4-ethoxyaniline; (4-Ethoxy-phenyl)-(3,4,5-trimethoxy-benzyl)-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650769	.	.	.	.	317.4	C18H23NO4	49	306	3.7	23	1	5	8	"InChI=1S/C18H23NO4/c1-5-23-15-8-6-14(7-9-15)19-12-13-10-16(20-2)18(22-4)17(11-13)21-3/h6-11,19H,5,12H2,1-4H3"	CCOC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC	KEWFCLDAAYJNMJ-UHFFFAOYSA-N
DG54508	"4-Ethoxy-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride"	373807	"NSC650770; CHEMBL319751; 4-Ethoxy-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride; 151222-03-6; SCHEMBL9191277; DTXSID40934198; NSC-650770; 4-Ethoxy-N-(3,5-trimethoxybenzyl)aniline Hydrochloride; 4-Ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650770	.	.	.	.	353.8	C18H24ClNO4	49	306	.	24	2	5	8	"InChI=1S/C18H23NO4.ClH/c1-5-23-15-8-6-14(7-9-15)19-12-13-10-16(20-2)18(22-4)17(11-13)21-3;/h6-11,19H,5,12H2,1-4H3;1H"	CCOC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC.Cl	UJHYHKHPOOTHGZ-UHFFFAOYSA-N
DG54509	"4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline"	373808	"CHEMBL96409; NSC650771; 151221-99-7; NSC650772; 4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline; 4-(Methylthio)-N-(3,4,5-trimethoxybenzyl)aniline hydrochloride; 4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride; SCHEMBL9186973; DTXSID00934194; 4-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline; ZINC1632293; BDBM50045726; NSC-650771; NCI60_017689; NCI60_017690; 4-Methylthio-N-(3,5-trimethoxybenzyl)aniline; 4-(Methylthio)-N-(3,4,5-trimethoxybenzyl)aniline; N-(3,4,5-Trimethoxybenzyl)-4-(methylthio)aniline; (4-Methylsulfanyl-phenyl)-(3,4,5-trimethoxy-benzyl)-amine; 4-(Methylsulfanyl)-N-[(3,4,5-trimethoxyphenyl)methyl]aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650771	.	.	.	.	319.4	C17H21NO3S	65	296	3.8	22	1	5	7	"InChI=1S/C17H21NO3S/c1-19-15-9-12(10-16(20-2)17(15)21-3)11-18-13-5-7-14(22-4)8-6-13/h5-10,18H,11H2,1-4H3"	COC1=CC(=CC(=C1OC)OC)CNC2=CC=C(C=C2)SC	ANLBBCQAUDTUDK-UHFFFAOYSA-N
DG54510	"4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride"	373809	"NSC650772; 4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride; CHEMBL96430; 151222-04-7; 4-(Methylthio)-N-(3,4,5-trimethoxybenzyl)aniline hydrochloride; SCHEMBL9188322; DTXSID00934199; NSC-650772; 4-Methylthio-N-(3,5-trimethoxybenzyl)aniline Hydrochloride; 4-(Methylsulfanyl)-N-[(3,4,5-trimethoxyphenyl)methyl]aniline--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650772	.	.	.	.	355.9	C17H22ClNO3S	65	296	.	23	2	5	7	"InChI=1S/C17H21NO3S.ClH/c1-19-15-9-12(10-16(20-2)17(15)21-3)11-18-13-5-7-14(22-4)8-6-13;/h5-10,18H,11H2,1-4H3;1H"	COC1=CC(=CC(=C1OC)OC)CNC2=CC=C(C=C2)SC.Cl	BIZKSGXADYRVJM-UHFFFAOYSA-N
DG54511	"4,7,10-Tris((4-methylphenyl)sulfonyl)-1-thia-4,7,10-triazacyclododecane"	373816	"NSC650779; CHEMBL1992385; ZINC82195500; 4,7,10-Tris((4-methylphenyl)sulfonyl)-1-thia-4,7,10-triazacyclododecane; NSC-650779; NCI60_017696; 4,7,10-tris(p-tolylsulfonyl)-1-thia-4,7,10-triazacyclododecane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650779	.	.	.	.	651.9	C29H37N3O6S4	163	1090	4.3	42	0	10	6	"InChI=1S/C29H37N3O6S4/c1-24-4-10-27(11-5-24)40(33,34)30-16-18-31(41(35,36)28-12-6-25(2)7-13-28)20-22-39-23-21-32(19-17-30)42(37,38)29-14-8-26(3)9-15-29/h4-15H,16-23H2,1-3H3"	CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCSCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C	HEKPYWNWCRDDFX-UHFFFAOYSA-N
DG54512	"3,4,7,8-Tetrahydro-2H,6H-1,5,9-benzotrithiacycloundecine"	373821	"NSC650784; 3,4,7,8-Tetrahydro-2H,6H-1,5,9-benzotrithiacycloundecine; CHEMBL1966152; 2,6,10-trithiabicyclo(9.4.0)pentadeca-11(1),12,14-triene; ZINC1632297; NSC-650784; 72110-17-9; NCI60_017701; 2,6,10-trithiabicyclo[9.4.0]pentadeca-1(11),12,14-triene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650784	.	.	.	.	256.5	C12H16S3	75.9	154	4.1	15	0	3	0	"InChI=1S/C12H16S3/c1-2-6-12-11(5-1)14-9-3-7-13-8-4-10-15-12/h1-2,5-6H,3-4,7-10H2"	C1CSCCCSC2=CC=CC=C2SC1	PJUMTQDSMPFWGI-UHFFFAOYSA-N
DG54513	"13-((4-Methylphenyl)sulfonyl)-1,4,7,10-tetrathia-13-azacyclopentadecane"	373829	"NSC650792; MLS002701574; NCIMech_000733; CHEMBL1884731; ZINC5839723; CCG-35746; 13-((4-Methylphenyl)sulfonyl)-1,4,7,10-tetrathia-13-azacyclopentadecane; NSC-650792; NCI60_017709; SMR001565175; 13-(p-tolylsulfonyl)-1,4,7,10-tetrathia-13-azacyclopentadecane; 1,7,10-Tetrathia-13-azacyclopentadecane, 13-[(4-methylphenyl)sulfonyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650792	.	.	.	.	437.7	C17H27NO2S5	147	430	3.8	25	0	7	2	"InChI=1S/C17H27NO2S5/c1-16-2-4-17(5-3-16)25(19,20)18-6-8-21-10-12-23-14-15-24-13-11-22-9-7-18/h2-5H,6-15H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)N2CCSCCSCCSCCSCC2	IEOHUEREWMUYFV-UHFFFAOYSA-N
DG54514	"1,5,9,13,17-Pentathiacycloeicosane"	373845	"NSC650808; 1,5,9,13,17-Pentathiacycloicosane; 1,5,9,13,17-Pentathiacycloeicosane; CHEMBL1964717; ZINC5600181; 1,9,13,17-Pentathiacycloeicosane; NSC-650808; NCI60_017725"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650808	.	.	.	.	370.7	C15H30S5	127	133	5	20	0	5	0	InChI=1S/C15H30S5/c1-6-16-8-2-10-18-12-4-14-20-15-5-13-19-11-3-9-17-7-1/h1-15H2	C1CSCCCSCCCSCCCSCCCSC1	IHZRZROGHCHTMN-UHFFFAOYSA-N
DG54515	"2-[2-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-oxo-ethylsulfanyl]-3-phenyl-3H-quinazolin-4-one"	373863	"NSC650826; 2-[2-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-oxo-ethylsulfanyl]-3-phenyl-3H-quinazolin-4-one; CHEMBL1978324; NSC-650826; NCI60_017742; 2-[2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-oxo-ethyl]sulfanyl-3-phenyl-quinazolin-4-one; 3-Phenyl-2-[[[(1-phenyl-2,3-dimethyl-5-oxo-3-pyrazolin-4-yl)carbonyl]methyl]thio]quinazolin-4(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650826	.	.	.	.	482.6	C27H22N4O3S	98.6	919	5.1	35	0	6	6	"InChI=1S/C27H22N4O3S/c1-18-24(26(34)31(29(18)2)20-13-7-4-8-14-20)23(32)17-35-27-28-22-16-10-9-15-21(22)25(33)30(27)19-11-5-3-6-12-19/h3-16H,17H2,1-2H3"	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5	FMTCJDLLZQPOSR-UHFFFAOYSA-N
DG54516	"1,5-Dimethyl-2-phenyl-4-(2-phenyl-1,3-oxazol-4-yl)-1,2-dihydro-3H-pyrazol-3-one"	373864	"NSC650827; 1,5-Dimethyl-2-phenyl-4-(2-phenyl-1,3-oxazol-4-yl)-1,2-dihydro-3H-pyrazol-3-one; CHEMBL2002204; NSC-650827; NCI60_017743; 1,5-dimethyl-2-phenyl-4-(2-phenyloxazol-4-yl)pyrazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650827	.	.	.	.	331.4	C20H17N3O2	49.6	535	3.7	25	0	4	3	"InChI=1S/C20H17N3O2/c1-14-18(17-13-25-19(21-17)15-9-5-3-6-10-15)20(24)23(22(14)2)16-11-7-4-8-12-16/h3-13H,1-2H3"	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=COC(=N3)C4=CC=CC=C4	MCRZLKNJYLNDPX-UHFFFAOYSA-N
DG54517	"Ethyl 2-((5-((2-methoxyphenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoate"	373873	"NSC650836; Ethyl 2-((5-((2-methoxyphenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoate; CHEMBL1987978; NSC-650836; ethyl 2-[[5-[(2-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate; NCI60_017751"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650836	.	.	.	.	413.5	C21H23N3O4S	101	506	4.1	29	0	7	10	"InChI=1S/C21H23N3O4S/c1-4-27-20(25)15(2)29-21-23-22-19(24(21)16-10-6-5-7-11-16)14-28-18-13-9-8-12-17(18)26-3/h5-13,15H,4,14H2,1-3H3"	CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3OC	IJHBOLYIWIMYFD-UHFFFAOYSA-N
DG54518	"Ethyl 2-((5-((4-chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoate"	373874	"NSC650837; Ethyl 2-((5-((4-chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoate; CHEMBL2005020; NSC-650837; ethyl 2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate; NCI60_017752"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650837	.	.	.	.	417.9	C20H20ClN3O3S	91.5	487	4.7	28	0	6	9	"InChI=1S/C20H20ClN3O3S/c1-3-26-19(25)14(2)28-20-23-22-18(24(20)16-7-5-4-6-8-16)13-27-17-11-9-15(21)10-12-17/h4-12,14H,3,13H2,1-2H3"	CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl	CYRGUIBVDJAYKQ-UHFFFAOYSA-N
DG54519	"8-(1-Phenylethoxy)-4a,7,8,8a-tetrahydro-1,4,6(5H)-naphthalenetrione"	373885	"NSC650877; 8-(1-Phenylethoxy)-4a,7,8,8a-tetrahydro-1,4,6(5H)-naphthalenetrione; CHEMBL1979703; 8-(1-phenylethoxy)-5,7,8,8a-tetrahydro-4aH-naphthalene-1,4,6-trione; NSC-650877; NCI60_017761"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650877	.	.	.	.	298.3	C18H18O4	60.4	501	1	22	0	4	3	"InChI=1S/C18H18O4/c1-11(12-5-3-2-4-6-12)22-17-10-13(19)9-14-15(20)7-8-16(21)18(14)17/h2-8,11,14,17-18H,9-10H2,1H3"	CC(C1=CC=CC=C1)OC2CC(=O)CC3C2C(=O)C=CC3=O	BZHHDXHGZFULPI-UHFFFAOYSA-N
DG54520	Dermocanarin-4	373887	"Dermocanarin-4; NSC650882; CHEMBL1983979; NSC-650882; 2,5,9,16-Tetrahydroxy-13,17-dimethoxy-2,9-dimethyl-1,2,3,8,9,10-hexahydroanthra[1,2-b]naphtho[2,3-d]oxonine-4,7,12,15-tetrone; NCI60_017763; tetrahydroxy-dimethoxy-dimethyl-[ ]tetrone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650882	.	.	.	.	588.6	C32H28O11	177	1230	3.5	43	4	11	2	"InChI=1S/C32H28O11/c1-31(39)9-14-5-13-7-19(41-3)26-23-15(6-16-25(29(23)38)17(33)8-20(42-4)27(16)36)10-32(2,40)12-21(35)43-30(26)24(13)28(37)22(14)18(34)11-31/h5-8,37-40H,9-12H2,1-4H3"	CC1(CC2=CC3=C(C(=O)C=C(C3=O)OC)C(=C2C4=C(C5=C(C6=C(CC(CC6=O)(C)O)C=C5C=C4OC)O)OC(=O)C1)O)O	FODICJOAXWMHEC-UHFFFAOYSA-N
DG54521	3-(4-Ethoxy-3-methoxy-phenyl)-4-morpholino-butan-2-one	373902	"NSC650908; 2-Butanone, 3-(4-ethoxy-3-methoxyphenyl)-4-(4-morpholinyl)-, hydrochloride; CHEMBL1906797; NCI60_017768; 3-(4-ethoxy-3-methoxy-phenyl)-4-morpholino-butan-2-one; 3-(4-Ethoxy-3-methoxyphenyl)-4-(4-morpholinyl)-2-butanone hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650908	.	.	.	.	307.4	C17H25NO4	48	344	1.5	22	0	5	7	"InChI=1S/C17H25NO4/c1-4-22-16-6-5-14(11-17(16)20-3)15(13(2)19)12-18-7-9-21-10-8-18/h5-6,11,15H,4,7-10,12H2,1-3H3"	CCOC1=C(C=C(C=C1)C(CN2CCOCC2)C(=O)C)OC	BVBJMTIQNKBMFX-UHFFFAOYSA-N
DG54522	"3,8-Dimethyl-1,2-naphthoquinone"	373912	"3,8-Dimethyl-1,2-naphthoquinone; 3,8-dimethylnaphthalene-1,2-dione; NSC650935; O-HIBISCANONE; 207597-36-2; 3,2-naphthoquinone; 3,8-Dimethyl-1,2-naphthalenedione; CHEMBL1966764; SCHEMBL17183615; DTXSID50327395; AKOS006321572; NSC-650935; NCI60_017779"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650935	.	.	.	.	186.21	C12H10O2	34.1	314	2.2	14	0	2	0	"InChI=1S/C12H10O2/c1-7-4-3-5-9-6-8(2)11(13)12(14)10(7)9/h3-6H,1-2H3"	CC1=C2C(=CC=C1)C=C(C(=O)C2=O)C	DKHAQNNRAKURNG-UHFFFAOYSA-N
DG54523	N-Benzyl-N''-cyano-N'-methylguanidine	373919	NSC650949; N-Benzyl-N''-cyano-N'-methylguanidine; CHEMBL1966735; 1-Benzyl-2-cyano-3-methylguanidine; 1-benzyl-2-cyano-3-methyl-guanidine; NSC-650949; NCI60_017787	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650949	.	.	.	.	188.23	C10H12N4	60.2	232	1.1	14	2	2	4	"InChI=1S/C10H12N4/c1-12-10(14-8-11)13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,13,14)"	CN=C(NCC1=CC=CC=C1)NC#N	GYAPXLSAWAVQGC-UHFFFAOYSA-N
DG54524	"1,1,3-Tribenzyl-3-butyl-2-cyanoguanidine"	373931	"NSC650959; 1,1,3-tribenzyl-3-butyl-2-cyanoguanidine; N,N,N'-Tribenzyl-N'-butyl-N''-cyanoguanidine; CHEMBL1991305; NSC-650959; NCI60_017797; 1,1,3-tribenzyl-3-butyl-2-cyano-guanidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650959	.	.	.	.	410.6	C27H30N4	42.6	539	5.8	31	0	2	11	"InChI=1S/C27H30N4/c1-2-3-19-30(20-24-13-7-4-8-14-24)27(29-23-28)31(21-25-15-9-5-10-16-25)22-26-17-11-6-12-18-26/h4-18H,2-3,19-22H2,1H3"	CCCCN(CC1=CC=CC=C1)C(=NC#N)N(CC2=CC=CC=C2)CC3=CC=CC=C3	ZLNJXNLUGQZBNS-UHFFFAOYSA-N
DG54525	"N,N,N'-Tribenzyl-N''-cyano-N'-methylguanidine"	373932	"NSC650960; N,N,N'-Tribenzyl-N''-cyano-N'-methylguanidine; CHEMBL1967508; NSC-650960; NCI60_017798; 1,1,3-tribenzyl-2-cyano-3-methyl-guanidine; [(Dibenzylamino)(methylbenzylamino)methylene]amino cyanide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650960	.	.	.	.	368.5	C24H24N4	42.6	496	4.5	28	0	2	8	"InChI=1S/C24H24N4/c1-27(17-21-11-5-2-6-12-21)24(26-20-25)28(18-22-13-7-3-8-14-22)19-23-15-9-4-10-16-23/h2-16H,17-19H2,1H3"	CN(CC1=CC=CC=C1)C(=NC#N)N(CC2=CC=CC=C2)CC3=CC=CC=C3	XCVSKDUDNCCTOI-UHFFFAOYSA-N
DG54526	Bis(1-benzhydryl-3-phenyl-2-aziridinyl)methanone	373935	NSC650963; Bis(1-benzhydryl-3-phenyl-2-aziridinyl)methanone; CHEMBL2005835; NSC-650963; NCI60_017801; bis(1-benzhydryl-3-phenyl-aziridin-2-yl)methanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650963	.	.	.	.	596.8	C43H36N2O	23.1	847	9.1	46	0	3	10	"InChI=1S/C43H36N2O/c46-43(41-39(35-27-15-5-16-28-35)44(41)37(31-19-7-1-8-20-31)32-21-9-2-10-22-32)42-40(36-29-17-6-18-30-36)45(42)38(33-23-11-3-12-24-33)34-25-13-4-14-26-34/h1-30,37-42H"	C1=CC=C(C=C1)C2C(N2C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5C(N5C(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8	VMXIORJTDBSGRC-UHFFFAOYSA-N
DG54527	"2,2':5',2''-Terthiophene, 3'-methoxy-"	373943	"NSC650973; 2,2':5',2''-Terthiophene, 3'-methoxy-; SCHEMBL498801; CHEMBL1970377; ZINC1632396; NSC-650973; 3-methoxy-2,5-bis(2-thienyl)thiophene; NCI60_017811; 3'-Methoxy-2,2':5',2''-terthiophene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650973	.	.	.	.	278.4	C13H10OS3	94	261	4.3	17	0	4	3	"InChI=1S/C13H10OS3/c1-14-9-8-12(10-4-2-6-15-10)17-13(9)11-5-3-7-16-11/h2-8H,1H3"	COC1=C(SC(=C1)C2=CC=CS2)C3=CC=CS3	YBJPZZBYEHNCSU-UHFFFAOYSA-N
DG54528	"3-Phenyl-4-vinyl-9H-pyrido[2,3-b]indole"	373945	"NSC650977; 3-Phenyl-4-vinyl-9H-pyrido[2,3-b]indole; CHEMBL1981074; 3-(Phenyl)-4-ethenyl-alpha-carboline; NSC-650977; NCI60_017815"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650977	.	.	.	.	270.3	C19H14N2	28.7	374	5.1	21	1	1	2	"InChI=1S/C19H14N2/c1-2-14-16(13-8-4-3-5-9-13)12-20-19-18(14)15-10-6-7-11-17(15)21-19/h2-12H,1H2,(H,20,21)"	C=CC1=C2C3=CC=CC=C3NC2=NC=C1C4=CC=CC=C4	ROLHPJCFNDUCCY-UHFFFAOYSA-N
DG54529	"Ethyl 6-(benzyloxy)-5-methoxy-1-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-benzo[de][1,8]naphthyridine-8-carboxylate"	373946	"NSC650978; Ethyl 6-(benzyloxy)-5-methoxy-1-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-benzo[de][1,8]naphthyridine-8-carboxylate; CHEMBL2002637; NSC-650978; NCI60_017816; ethyl benzyloxy-methoxy-(4-methoxyphenyl)-methyl-[ ]carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650978	.	.	.	.	498.6	C30H30N2O5	70.1	738	6.5	37	0	7	9	"InChI=1S/C30H30N2O5/c1-5-36-30(33)25-17-24-27-21(16-26(35-4)28(24)37-18-20-9-7-6-8-10-20)15-19(2)32(29(27)31-25)22-11-13-23(34-3)14-12-22/h6-14,16-17,19H,5,15,18H2,1-4H3"	CCOC(=O)C1=NC2=C3C(=CC(=C(C3=C1)OCC4=CC=CC=C4)OC)CC(N2C5=CC=C(C=C5)OC)C	ORCHUHMKJLLBJL-UHFFFAOYSA-N
DG54530	"4H,7H-Furo[2',3',4':4,5]naphth[2,1-e][1,3]oxazin-4-one, 8-(4-chlorophenyl)-8,9-dihydro-"	373969	"NSC651001; 4H,7H-Furo[2',3',4':4,5]naphth[2,1-e][1,3]oxazin-4-one, 8-(4-chlorophenyl)-8,9-dihydro-; CHEMBL2006966; NSC-651001; NCI60_017835; 3-(4-Chlorophenyl)-3,4-dihydro-2H-naphth[2,1-e]-1,3-oxazine-7,6-carbolactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651001	.	.	.	.	337.8	C19H12ClNO3	38.8	507	4.7	24	0	4	1	"InChI=1S/C19H12ClNO3/c20-12-4-6-13(7-5-12)21-9-11-8-16-17-14(18(11)23-10-21)2-1-3-15(17)19(22)24-16/h1-8H,9-10H2"	C1C2=CC3=C4C(=C2OCN1C5=CC=C(C=C5)Cl)C=CC=C4C(=O)O3	PGVVYQXSSHMHRF-UHFFFAOYSA-N
DG54531	"7-(beta-D-ribofuranosyl)-4-aminothieno[3,4-d]pyrimidine"	373978	"MLS002702927; 7-(.beta.-D-ribofuranosyl)-4-aminothieno[3,4-d]pyrimidine; NSC651010; CHEMBL1727847; ZINC01632558; NSC-651010; NCI60_017844; SMR001566742"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651010	.	.	.	.	283.31	C11H13N3O4S	150	337	-0.9	19	4	8	2	"InChI=1S/C11H13N3O4S/c12-11-4-2-19-10(6(4)13-3-14-11)9-8(17)7(16)5(1-15)18-9/h2-3,5,7-9,15-17H,1H2,(H2,12,13,14)"	C1=C2C(=C(S1)C3C(C(C(O3)CO)O)O)N=CN=C2N	VTCXCOOTIXNZFE-UHFFFAOYSA-N
DG54532	NSC651012	373980	"Methyl 2-(10-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl)acetate; NSC651012; CHEMBL1978744; NSC-651012; NCI60_017846"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651012	.	.	.	.	406.4	C22H18N2O6	95	849	0.7	30	0	7	4	"InChI=1S/C22H18N2O6/c1-28-18(25)8-13-12-7-17-19-14(9-24(17)21(26)15(12)10-30-22(13)27)20(29-2)11-5-3-4-6-16(11)23-19/h3-7,13H,8-10H2,1-2H3"	COC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4CC(=O)OC)C2=NC5=CC=CC=C51	HTYSQIPYHSIWAC-UHFFFAOYSA-N
DG54533	NSC651015	373982	"Sodium;7-[[1-methyl-4-[[1-methyl-4-[[1-methyl-5-[[1-methyl-5-[(4,6,8-trisulfonaphthalen-2-yl)carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]naphthalene-1,3,5-trisulfonic acid; NSC651015; NSC-651015; 1,5-Naphthalenetrisulfonic acid, 7,7'-[carbonylbis [imino(1-methyl-1H-pyrrole-4,2-diyl)carbonylimino (1-methyl-1H-pyrrole-4,2-diyl)carbonylimino]]]bis-, hexasodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651015	.	.	.	.	1304.2	C45H40N10NaO23S6+	554	3030	.	85	12	23	16	"InChI=1S/C45H40N10O23S6.Na/c1-52-17-23(7-33(52)41(56)46-21-5-29-31(37(11-21)81(67,68)69)13-27(79(61,62)63)15-39(29)83(73,74)75)48-43(58)35-9-25(19-54(35)3)50-45(60)51-26-10-36(55(4)20-26)44(59)49-24-8-34(53(2)18-24)42(57)47-22-6-30-32(38(12-22)82(70,71)72)14-28(80(64,65)66)16-40(30)84(76,77)78;/h5-20H,1-4H3,(H,46,56)(H,47,57)(H,48,58)(H,49,59)(H2,50,51,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78);/q;+1"	CN1C=C(C=C1C(=O)NC2=CC3=C(C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)C(=C2)S(=O)(=O)O)NC(=O)C4=CC(=CN4C)NC(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NC7=CC8=C(C=C(C=C8S(=O)(=O)O)S(=O)(=O)O)C(=C7)S(=O)(=O)O)C)C.[Na+]	WFXWCKWTAUWHBE-UHFFFAOYSA-N
DG54534	"N-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine"	373990	"NSC651020; CHEMBL96692; SCHEMBL9190488; CHEMBL1967178; DTXSID90327399; N-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine; BDBM50045724; ZINC18141388; ZINC102950609; NSC-651020; 158319-78-9; NCI60_017851; 4-Ethoxy-N-(3,5-trimethoxybenzylene)aniline; 4-Ethoxy-N-(3,4,5-trimethoxybenzylidene)aniline; N-(3,4,5-Trimethoxybenzylidene)-4-ethoxyaniline; (4-Ethoxy-phenyl)-(3,4,5-trimethoxy-benzylidene)-amine; Benzenamine, 4-ethoxy-N-[(1E)-(3,4,5-trimethoxyphenyl)methylene]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651020	.	.	.	.	315.4	C18H21NO4	49.3	341	3.5	23	0	5	7	"InChI=1S/C18H21NO4/c1-5-23-15-8-6-14(7-9-15)19-12-13-10-16(20-2)18(22-4)17(11-13)21-3/h6-12H,5H2,1-4H3"	CCOC1=CC=C(C=C1)N=CC2=CC(=C(C(=C2)OC)OC)OC	WMJHLUPXBDYNAF-UHFFFAOYSA-N
DG54535	"5-Chloro-4-iodo-1H-indole-2,3-dione"	374000	"NSC651040; 5-Chloro-4-iodo-1H-indole-2,3-dione; CHEMBL1967174; 5-chloro-4-iodo-indoline-2,3-dione; NSC-651040; NCI60_017862"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651040	.	.	.	.	307.47	C8H3ClINO2	46.2	271	2	13	1	2	0	"InChI=1S/C8H3ClINO2/c9-3-1-2-4-5(6(3)10)7(12)8(13)11-4/h1-2H,(H,11,12,13)"	C1=CC(=C(C2=C1NC(=O)C2=O)I)Cl	AQJBGXYZTOJOKK-UHFFFAOYSA-N
DG54536	6-Chloro-5-iodo-4(4aH)-quinazolinone	374002	NSC651042; 6-Chloro-5-iodo-4(4aH)-quinazolinone; 6-chloro-5-iodo-4aH-quinazolin-4-one; CHEMBL1994178; NSC-651042; NCI60_017864	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651042	.	.	.	.	306.49	C8H4ClIN2O	41.8	395	1.3	13	0	1	0	"InChI=1S/C8H4ClIN2O/c9-4-1-2-5-6(7(4)10)8(13)12-3-11-5/h1-3,6H"	C1=CC(=C(C2C1=NC=NC2=O)I)Cl	VETDWNNPSDNIPZ-UHFFFAOYSA-N
DG54537	"6-(aziridin-1-yl)-3-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione"	374004	"NSC651078; Neuro_000364; 6-(aziridin-1-yl)-3-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione; CHEMBL276552; NSC-651078; NCI60_017866; 1H-Pyrrolo[1,8-dione, 2,3-dihydro- 6-(1-aziridinyl)-3-hydroxy-7-methyl-; 6-(1-Aziridinyl)-3-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione; {1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione,} 2,3-dihydro- 6-(1-aziridinyl)-3-hydroxy-7-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651078	.	.	.	.	259.26	C13H13N3O3	75.2	511	-0.1	19	1	5	1	"InChI=1S/C13H13N3O3/c1-6-9(15-4-5-15)12(19)8-10(11(6)18)16-3-2-7(17)13(16)14-8/h7,17H,2-5H2,1H3"	CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)O)N4CC4	CUWRQGLHMSVVKC-UHFFFAOYSA-N
DG54538	"[6-(aziridin-1-yl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] propanoate"	374005	"NSC651079; CHEMBL17753; ANTINEOPLASTIC-651079; NSC-651079; [6-(aziridin-1-yl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] propanoate; NCI60_017867; 1H-Pyrrolo[1,8-dione, 6-(1-aziridinyl)- 2,3-dihydro-3-(propionyl)-7-methyl-; 1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione, 6-(1-aziridinyl)- 2,3-dihydro-3-(propionyl)-7-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651079	.	.	.	.	315.32	C16H17N3O4	81.3	625	1	23	0	6	4	"InChI=1S/C16H17N3O4/c1-3-10(20)23-9-4-5-19-13-11(17-16(9)19)15(22)12(18-6-7-18)8(2)14(13)21/h9H,3-7H2,1-2H3"	CCC(=O)OC1CCN2C1=NC3=C2C(=O)C(=C(C3=O)N4CC4)C	NPSQJYCWTMTMAH-UHFFFAOYSA-N
DG54539	"[6-(aziridin-1-yl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] 2-chloroacetate"	374006	"NSC651080; Neuro_000365; CHEMBL417090; ANTINEOPLASTIC-651080; NSC-651080; [6-(aziridin-1-yl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] 2-chloroacetate; NCI60_017868; 6-N-aziridinyl-7-methyl-2,2-a]benzimidazole-5,8-dione 3-chloroacetate; 6-N-aziridinyl-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione 3-chloroacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651080	.	.	.	.	335.74	C15H14ClN3O4	81.3	630	1.1	23	0	6	4	"InChI=1S/C15H14ClN3O4/c1-7-11(18-4-5-18)14(22)10-12(13(7)21)19-3-2-8(15(19)17-10)23-9(20)6-16/h8H,2-6H2,1H3"	CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)OC(=O)CCl)N4CC4	PNJHXCRCPJOGIV-UHFFFAOYSA-N
DG54540	"N-(3-hydroxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide"	374007	"NSC651081; CHEMBL17090; NSC-651081; N-(3-hydroxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide; {1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione,} 6-(acetylamino)- 2, 3-dihydro-3-hydroxy-7-methyl-; NCI60_017869; 1H-Pyrrolo[1,8-dione, 6-(acetylamino)- 2,3-dihydro-3-hydroxy-7-methyl-; N-(3-Hydroxy-7-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651081	.	.	.	.	275.26	C13H13N3O4	101	542	-0.8	20	2	5	1	"InChI=1S/C13H13N3O4/c1-5-8(14-6(2)17)12(20)9-10(11(5)19)16-4-3-7(18)13(16)15-9/h7,18H,3-4H2,1-2H3,(H,14,17)"	CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)O)NC(=O)C	WRAMKCTUNQLRAM-UHFFFAOYSA-N
DG54541	"(6-acetamido-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) propanoate"	374008	"NSC651082; CHEMBL275891; NSC-651082; (6-acetamido-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) propanoate; NCI60_017870; 1H-Pyrrolo[1,8-dione, 6-(acetylamino)- 2,3-dihydro-3-(propionyloxy)-7-methyl-; 1H-Pyrrolo[1,2-a}benzimidazole-5,8-dione, 6-(acetylamino)-2,3-dihydro-3-(propionyloxy)-7-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651082	.	.	.	.	331.32	C16H17N3O5	107	656	0.3	24	1	6	4	"InChI=1S/C16H17N3O5/c1-4-10(21)24-9-5-6-19-13-12(18-16(9)19)15(23)11(17-8(3)20)7(2)14(13)22/h9H,4-6H2,1-3H3,(H,17,20)"	CCC(=O)OC1CCN2C1=NC3=C2C(=O)C(=C(C3=O)NC(=O)C)C	IICCKIWFUIOTEJ-UHFFFAOYSA-N
DG54542	"1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione, 6-(acetylamino)-2,3-dihydro-3-[methoxy(acetyloxy)]-7-methyl-"	374010	"NSC651084; MLS002701575; CHEMBL27953; SCHEMBL15413438; BDBM200227; NSC-651084; NCI60_017872; 1H-Pyrrolo[1,8-dione, 6-(acetylamino)- 2,3-dihydro-3-[methoxy(acetyloxy)]-7-methyl-; 1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione, 6-(acetylamino)-2,3-dihydro-3-[methoxy(acetyloxy)]-7-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651084	.	.	.	.	347.32	C16H17N3O6	117	673	-0.3	25	1	7	5	"InChI=1S/C16H17N3O6/c1-7-11(17-8(2)20)15(23)12-13(14(7)22)19-5-4-9(16(19)18-12)25-10(21)6-24-3/h9H,4-6H2,1-3H3,(H,17,20)"	CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)OC(=O)COC)NC(=O)C	IEGPEJKOKNPIHK-UHFFFAOYSA-N
DG54543	"(6-acetamido-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) benzoate"	374011	"NSC651085; CHEMBL274283; NSC-651085; (6-acetamido-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) benzoate; NCI60_017873; 1H-Pyrrolo[1,8-dione, 6-(acetylamino)- 2,3-dihydro-3-(benzoyloxy)-7-methyl-; 1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione, 6-(acetylamino)-2,3-dihydro-3-(benzoyloxy)-7-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651085	.	.	.	.	379.4	C20H17N3O5	107	755	1.4	28	1	6	4	"InChI=1S/C20H17N3O5/c1-10-14(21-11(2)24)18(26)15-16(17(10)25)23-9-8-13(19(23)22-15)28-20(27)12-6-4-3-5-7-12/h3-7,13H,8-9H2,1-2H3,(H,21,24)"	CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)OC(=O)C4=CC=CC=C4)NC(=O)C	WEGRWWZXLSYSBE-UHFFFAOYSA-N
DG54544	"7-(1-Aziridinyl)-8-methyl-6,9-dioxo-1,2,3,4,6,9-hexahydropyrido[1,2-a]benzimidazol-4-yl acetate"	374012	"NSC651086; 7-(1-Aziridinyl)-8-methyl-6,9-dioxo-1,2,3,4,6,9-hexahydropyrido[1,2-a]benzimidazol-4-yl acetate; CHEMBL427471; NSC-651086; [7-(aziridin-1-yl)-8-methyl-6,9-dioxo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-yl] acetate; NCI60_017874; 6,9-Dioxo-7-(1-aziridinyl)-8-methyl-1,2,3,4,6,9-hexahydropyrido[1,2-a]benzimidazol-4-ol acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651086	.	.	.	.	315.32	C16H17N3O4	81.3	625	0.9	23	0	6	3	"InChI=1S/C16H17N3O4/c1-8-12(18-6-7-18)15(22)11-13(14(8)21)19-5-3-4-10(16(19)17-11)23-9(2)20/h10H,3-7H2,1-2H3"	CC1=C(C(=O)C2=C(C1=O)N3CCCC(C3=N2)OC(=O)C)N4CC4	DQBAFHSEZZMUNI-UHFFFAOYSA-N
DG54545	4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+)	374013	NSC651087; NSC-651087	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651087	.	.	.	.	617.5	C20H26N2O8Pt	135	639	.	31	2	10	1	"InChI=1S/2C7H8O4.C6H12N2.Pt/c2*1-3(8)5-6(9)4(2)11-7(5)10;7-5-3-1-2-4-6(5)8;/h2*4,9H,1-2H3;5-8H,1-4H2;/q;;-2;+4/p-2/t;;5-,6 ;/m..1./s1"	CC1C(=C(C(=O)O1)C(=O)C)[O-].CC1C(=C(C(=O)O1)C(=O)C)[O-].C1CCC([C@@H](C1)[NH-])[NH-].[Pt+4]	PHWOOTRKXNOARD-XJIGFLRXSA-L
DG54546	NSC651089	374016	"N,N-dimethyl-2-(2,10,12-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-10-yl)ethanamine;hydrochloride; NSC671542; CHEMBL1991893; NSC651089; NSC-651089; NSC-671542"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651089	.	.	.	.	376.9	C22H21ClN4	34	495	.	27	1	3	3	"InChI=1S/C22H20N4.ClH/c1-25(2)11-12-26-20-10-6-5-9-17(20)21-22(26)24-19-14-16-8-4-3-7-15(16)13-18(19)23-21;/h3-10,13-14H,11-12H2,1-2H3;1H"	CN(C)CCN1C2=CC=CC=C2C3=NC4=CC5=CC=CC=C5C=C4N=C31.Cl	ZHHRQXHCIZENOY-UHFFFAOYSA-N
DG54547	Bromo-tetrakis(2-methylprop-1-enyl)-lambda5-stibane	374020	NSC-651199; NCI60_017880	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632866	.	.	.	.	422.06	C16H28BrSb	0	337	.	18	0	0	4	"InChI=1S/4C4H7.BrH.Sb/c4*1-4(2)3;;/h4*1H,2-3H3;1H;/q;;;;;+1/p-1"	CC(=C[Sb](C=C(C)C)(C=C(C)C)(C=C(C)C)Br)C	SWCJFCPMPDBIJR-UHFFFAOYSA-M
DG54548	Bromo-tris(2-methylprop-1-enyl)-phenyl-lambda5-stibane	374021	NSC-651200; NCI60_017881	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651200	.	.	.	.	444.1	C18H26BrSb	0	376	.	20	0	0	4	"InChI=1S/C6H5.3C4H7.BrH.Sb/c1-2-4-6-5-3-1;3*1-4(2)3;;/h1-5H;3*1H,2-3H3;1H;/q;;;;;+1/p-1"	CC(=C[Sb](C=C(C)C)(C=C(C)C)(C1=CC=CC=C1)Br)C	CWUZALNRHISSQA-UHFFFAOYSA-M
DG54549	Tri(isobutenyl)-p-anisylantimony bromide	374022	NCI60_017882; NSC-651201; Tri(isobutenyl)-p-anisylantimony bromide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651201	.	.	.	.	474.1	C19H28BrOSb	9.2	421	.	22	0	1	5	"InChI=1S/C7H7O.3C4H7.BrH.Sb/c1-8-7-5-3-2-4-6-7;3*1-4(2)3;;/h3-6H,1H3;3*1H,2-3H3;1H;/q;;;;;+1/p-1"	CC(=C[Sb](C=C(C)C)(C=C(C)C)(C1=CC=C(C=C1)OC)Br)C	XXKOPGIDTPVYTH-UHFFFAOYSA-M
DG54550	"N-(1H-benzimidazol-2-ylmethyl)-4-[5-(4-nitrophenyl)-4,5-dihydroisoxazol-3-yl]aniline"	374045	"NSC651241; CHEMBL1965715; NSC-651241; NCI60_017901; N-(1H-benzimidazol-2-ylmethyl)-4-[5-(4-nitrophenyl)-4,5-dihydroisoxazol-3-yl]aniline; 2-((4-(5-(4-(Hydroxy(oxido)amino)phenyl)-4,5-dihydro-3-isoxazolyl)anilino)methyl)-1H-benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651241	.	.	.	.	413.4	C23H19N5O3	108	652	4.2	31	2	6	5	"InChI=1S/C23H19N5O3/c29-28(30)18-11-7-16(8-12-18)22-13-21(27-31-22)15-5-9-17(10-6-15)24-14-23-25-19-3-1-2-4-20(19)26-23/h1-12,22,24H,13-14H2,(H,25,26)"	C1C(ON=C1C2=CC=C(C=C2)NCC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)[N+](=O)[O-]	ZLRDWSSRHRPHAJ-UHFFFAOYSA-N
DG54551	"(2-(2-Chloroanilino)-1,3-thiazol-5-yl)(4-chlorophenyl)methanone"	374056	"(2-(2-Chloroanilino)-1,3-thiazol-5-yl)(4-chlorophenyl)methanone; 339022-21-8; NSC651295; MLS000543211; 5-(4-chlorobenzoyl)-N-(2-chlorophenyl)-1,3-thiazol-2-amine; [2-(2-chloroanilino)-1,3-thiazol-5-yl](4-chlorophenyl)methanone; [2-(2-chloroanilino)-1,3-thiazol-5-yl]-(4-chlorophenyl)methanone; SMR000169180; [2-(2-chloroanilino)thiazol-5-yl]-(4-chlorophenyl)methanone; Oprea1_335135; cid_374056; CHEMBL1564233; BDBM57367; HMS2396K20; ZINC1399950; AKOS005100363; MCULE-8298216143; NSC-651295; NCI60_017909; 8D-021; (4-chlorophenyl)(2-(2-chlorophenylamino)thiazol-5-yl)methanone; [2-(2-chloroanilino)-5-thiazolyl]-(4-chlorophenyl)methanone; (4-chlorophenyl)-[2-[(2-chlorophenyl)amino]-1,3-thiazol-5-yl]methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651295	.	.	.	.	349.2	C16H10Cl2N2OS	70.2	390	5.8	22	1	4	4	"InChI=1S/C16H10Cl2N2OS/c17-11-7-5-10(6-8-11)15(21)14-9-19-16(22-14)20-13-4-2-1-3-12(13)18/h1-9H,(H,19,20)"	C1=CC=C(C(=C1)NC2=NC=C(S2)C(=O)C3=CC=C(C=C3)Cl)Cl	IRQOIZZTORKYAG-UHFFFAOYSA-N
DG54552	"1,4-Dimethoxy-2,3-bis(prop-1-ynyl)anthracene-9,10-dione"	374059	NSC651315; CHEMBL1964490; NSC-651315; NCI60_017912	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651315	.	.	.	.	344.4	C22H16O4	52.6	649	4.3	26	0	4	4	"InChI=1S/C22H16O4/c1-5-9-15-16(10-6-2)22(26-4)18-17(21(15)25-3)19(23)13-11-7-8-12-14(13)20(18)24/h7-8,11-12H,1-4H3"	CC#CC1=C(C(=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)OC)C#CC	QFISLFPXRHAADL-UHFFFAOYSA-N
DG54553	"2-(6H-Isoindolo[2,1-a]indol-11-yl)-N,N-dipropylacetamide"	374074	"NSC651334; CHEMBL98033; 2-(6H-Isoindolo[2,1-a]indol-11-yl)-N,N-dipropyl-acetamide; 2-(6H-Isoindolo[2,1-a]indol-11-yl)-N,N-dipropylacetamide; BDBM50045861; NSC-651334; NCI60_017928"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651334	.	.	.	.	346.5	C23H26N2O	25.2	487	4.5	26	0	1	6	"InChI=1S/C23H26N2O/c1-3-13-24(14-4-2)22(26)15-20-19-11-7-8-12-21(19)25-16-17-9-5-6-10-18(17)23(20)25/h5-12H,3-4,13-16H2,1-2H3"	CCCN(CCC)C(=O)CC1=C2C3=CC=CC=C3CN2C4=CC=CC=C41	RJCFRGFOEOYKJE-UHFFFAOYSA-N
DG54554	NSC651492	374127	"5-((3,4-Diethyl-5-((3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl)-1H-pyrrol-2-yl)methyl)-4-ethyl-3-methyl-1H-pyrrole-2-carbaldehyde; NSC651492; 5-((3,4-Diethyl-5-((3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl)-1H-pyrrol-2-yl)methyl)-4-ethyl-3-methyl-1H-pyrrole-2-carbaldehyde; 5-[[3,4-diethyl-5-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carbaldehyde; SCHEMBL6863189; CHEMBL1986686; ZINC1633041; NSC-651492; NCI60_017978; 5,5'-(3,4-Diethyl-1H-pyrrole-2,5-diylbismethylene)bis(3-methyl-4-ethyl-1H-pyrrole-2-carbaldehyde)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651492	.	.	.	.	421.6	C26H35N3O2	81.5	549	5.8	31	3	2	10	"InChI=1S/C26H35N3O2/c1-7-17-15(5)25(13-30)28-21(17)11-23-19(9-3)20(10-4)24(27-23)12-22-18(8-2)16(6)26(14-31)29-22/h13-14,27-29H,7-12H2,1-6H3"	CCC1=C(NC(=C1C)C=O)CC2=C(C(=C(N2)CC3=C(C(=C(N3)C=O)C)CC)CC)CC	RONOMZLUTLYJTD-UHFFFAOYSA-N
DG54555	"1-(4-Chlorophenyl)-1-(5-(4-chlorophenyl)-3-isopropyl-4,5-dihydro-1H-pyrazol-1-yl)-4-methyl-3-pentanone"	374135	"NSC651589; 1-(4-Chlorophenyl)-1-(5-(4-chlorophenyl)-3-isopropyl-4,5-dihydro-1H-pyrazol-1-yl)-4-methyl-3-pentanone; CHEMBL1974175; ANTINEOPLASTIC-651589; NSC-651589; NCI60_017985; 1-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-5-isopropyl-3,4-dihydropyrazol-2-yl]-4-methyl-pentan-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651589	.	.	.	.	431.4	C24H28Cl2N2O	32.7	575	6.3	29	0	3	7	"InChI=1S/C24H28Cl2N2O/c1-15(2)21-13-22(17-5-9-19(25)10-6-17)28(27-21)23(14-24(29)16(3)4)18-7-11-20(26)12-8-18/h5-12,15-16,22-23H,13-14H2,1-4H3"	CC(C)C1=NN(C(C1)C2=CC=C(C=C2)Cl)C(CC(=O)C(C)C)C3=CC=C(C=C3)Cl	NBOLRIBMMHCLND-UHFFFAOYSA-N
DG54556	1-(1-Adamantyl)-3-(1-methylbenzimidazol-2-yl)urea	374147	NSC651604; 1-(1-adamantyl)-3-(1-methylbenzimidazol-2-yl)urea; CHEMBL1986180; N-(1-Adamantyl)-N'-(1-methyl-1H-benzimidazol-2-yl)urea; NSC-651604; NCI60_017993; N-(Adamantan-1-yl)-N'-(1-methyl-1H-benzimidazol-2-yl)urea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651604	.	.	.	.	324.4	C19H24N4O	59	480	3.5	24	2	2	2	"InChI=1S/C19H24N4O/c1-23-16-5-3-2-4-15(16)20-17(23)21-18(24)22-19-9-12-6-13(10-19)8-14(7-12)11-19/h2-5,12-14H,6-11H2,1H3,(H2,20,21,22,24)"	CN1C2=CC=CC=C2N=C1NC(=O)NC34CC5CC(C3)CC(C5)C4	WNJDINHLNIXJFA-UHFFFAOYSA-N
DG54557	N-(1-Adamantyl)-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide	374148	NSC651605; CHEMBL1976435; N-(1-Adamantyl)-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide; NSC-651605; NCI60_017994; N-(1-adamantyl)-2-(5-bromo-1H-indol-3-yl)-2-oxo-acetamide; N-(Adamantan-1-yl)-2-oxo-2-(5-bromo-1H-indol-3-yl)acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651605	.	.	.	.	401.3	C20H21BrN2O2	62	551	4.6	25	2	2	3	"InChI=1S/C20H21BrN2O2/c21-14-1-2-17-15(6-14)16(10-22-17)18(24)19(25)23-20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,10-13,22H,3-5,7-9H2,(H,23,25)"	C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)C4=CNC5=C4C=C(C=C5)Br	VINBWTWPUKJDOA-UHFFFAOYSA-N
DG54558	N-1-Adamantyl-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide	374150	NSC651607; CHEMBL1969798; N-1-Adamantyl-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide; NSC-651607; NCI60_017996; N-(1-adamantyl)-2-(5-nitro-1H-indol-3-yl)-2-oxo-acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651607	.	.	.	.	367.4	C20H21N3O4	108	631	3.7	27	2	4	3	"InChI=1S/C20H21N3O4/c24-18(16-10-21-17-2-1-14(23(26)27)6-15(16)17)19(25)22-20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,10-13,21H,3-5,7-9H2,(H,22,25)"	C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)C4=CNC5=C4C=C(C=C5)[N+](=O)[O-]	YPIARDJHELDZPP-UHFFFAOYSA-N
DG54559	1-(1-Adamantyl)-3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]urea	374151	NSC651608; CHEMBL1994054; 1-(1-adamantyl)-3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]urea; N-(1-Adamantyl)-N'-(1-(4-chlorobenzyl)-1H-benzimidazol-2-yl)urea; NSC-651608; NCI60_017997; N-(Adamantan-1-yl)-N'-(1-(4-chlorobenzyl)-1H-benzimidazol-2-yl)urea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651608	.	.	.	.	435	C25H27ClN4O	59	637	5.7	31	2	2	4	"InChI=1S/C25H27ClN4O/c26-20-7-5-16(6-8-20)15-30-22-4-2-1-3-21(22)27-23(30)28-24(31)29-25-12-17-9-18(13-25)11-19(10-17)14-25/h1-8,17-19H,9-15H2,(H2,27,28,29,31)"	C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=NC5=CC=CC=C5N4CC6=CC=C(C=C6)Cl	MBZUYEPZRNJIAJ-UHFFFAOYSA-N
DG54560	"3-azido-3-ethyl-7-methyl-1H-quinoline-2,4-dione"	374157	"NSC651614; 3-azido-3-ethyl-7-methyl-1H-quinoline-2,4-dione; 3-azido-3-ethyl-7-methyl-quinoline-2, 4-dione (malle); CHEMBL2003438; NSC-651614; NCI60_018003"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651614	.	.	.	.	244.25	C12H12N4O2	60.5	430	3.1	18	1	4	2	"InChI=1S/C12H12N4O2/c1-3-12(15-16-13)10(17)8-5-4-7(2)6-9(8)14-11(12)18/h4-6H,3H2,1-2H3,(H,14,18)"	CCC1(C(=O)C2=C(C=C(C=C2)C)NC1=O)N=[N+]=[N-]	GPVUBNJBWIMRFQ-UHFFFAOYSA-N
DG54561	Diethyl 2-((4-(((3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl)methylene)amino)benzyl)amino)succinate	374160	NSC651629; CHEMBL1986401; NSC-651629; Diethyl 2-((4-(((3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl)methylene)amino)benzyl)amino)succinate; NCI60_018006; diethyl 2-[[4-[(E)-[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]methyleneamino]phenyl]methylamino]butanedioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651629	.	.	.	.	578.6	C31H29F3N4O4	103	890	5.3	42	1	11	13	"InChI=1S/C31H29F3N4O4/c1-3-41-28(39)17-26(30(40)42-4-2)36-18-20-10-13-23(14-11-20)35-19-27-29(21-8-6-5-7-9-21)38-25-16-22(31(32,33)34)12-15-24(25)37-27/h5-16,19,26,36H,3-4,17-18H2,1-2H3"	CCOC(=O)CC(C(=O)OCC)NCC1=CC=C(C=C1)N=CC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4	PWOHERWIVGQWPT-UHFFFAOYSA-N
DG54562	"N-(3,4,5-Trimethoxybenzyl)quinoxaline-2,6-diamine"	374163	"NSC651632; CHEMBL1994735; NSC-651632; NCI60_018009; N-(3,4,5-Trimethoxybenzyl)quinoxaline-2,6-diamine; N~2~-(3,4,5-Trimethoxybenzyl)-2,6-quinoxalinediamine; N2-[(3,4,5-trimethoxyphenyl)methyl]quinoxaline-2,6-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651632	.	.	.	.	340.4	C18H20N4O3	91.5	400	2.3	25	2	7	6	"InChI=1S/C18H20N4O3/c1-23-15-6-11(7-16(24-2)18(15)25-3)9-21-17-10-20-14-8-12(19)4-5-13(14)22-17/h4-8,10H,9,19H2,1-3H3,(H,21,22)"	COC1=CC(=CC(=C1OC)OC)CNC2=CN=C3C=C(C=CC3=N2)N	AQYDIFGIIZQGJZ-UHFFFAOYSA-N
DG54563	4-Amino-N-(3-chloro-2-(3-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide	374167	NSC651642; CHEMBL1997270; 4-Amino-N-(3-chloro-2-(3-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide; NSC-651642; NCI60_018013; 4-amino-N-[3-chloro-2-(3-hydroxyphenyl)-4-oxo-azetidin-1-yl]benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651642	.	.	.	.	331.75	C16H14ClN3O3	95.7	468	1.8	23	3	4	2	"InChI=1S/C16H14ClN3O3/c17-13-14(10-2-1-3-12(21)8-10)20(16(13)23)19-15(22)9-4-6-11(18)7-5-9/h1-8,13-14,21H,18H2,(H,19,22)"	C1=CC(=CC(=C1)O)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl	DLROLMYUVONQJA-UHFFFAOYSA-N
DG54564	4-Amino-N-(3-chloro-2-(4-methylphenyl)-4-oxo-1-azetidinyl)benzamide	374172	NSC651648; CHEMBL1982513; 4-Amino-N-(3-chloro-2-(4-methylphenyl)-4-oxo-1-azetidinyl)benzamide; ZINC01633083; NSC-651648; NCI60_018019; 4-amino-N-[3-chloro-2-oxo-4-(p-tolyl)azetidin-1-yl]benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651648	.	.	.	.	329.8	C17H16ClN3O2	75.4	457	2.5	23	2	3	2	"InChI=1S/C17H16ClN3O2/c1-10-2-4-11(5-3-10)15-14(18)17(23)21(15)20-16(22)12-6-8-13(19)9-7-12/h2-9,14-15H,19H2,1H3,(H,20,22)"	CC1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl	YNXDEKKYOCGUHL-UHFFFAOYSA-N
DG54565	"4-Amino-N-(3-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-azetidinyl)benzamide"	374174	"NSC651650; CHEMBL1987254; 4-Amino-N-(3-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-azetidinyl)benzamide; NSC-651650; NCI60_018021; 4-amino-N-[3-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-azetidin-1-yl]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651650	.	.	.	.	375.8	C18H18ClN3O4	93.9	527	2.1	26	2	5	4	"InChI=1S/C18H18ClN3O4/c1-25-13-8-5-11(9-14(13)26-2)16-15(19)18(24)22(16)21-17(23)10-3-6-12(20)7-4-10/h3-9,15-16H,20H2,1-2H3,(H,21,23)"	COC1=C(C=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)OC	UVDDRVGAYVQLGT-UHFFFAOYSA-N
DG54566	4-Amino-N-(2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide	374175	NSC651651; CHEMBL1984730; NSC-651651; 4-Amino-N-(2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide; NCI60_018022; 4-amino-N-[2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-chloro-4-oxo-azetidin-1-yl]benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651651	.	.	.	.	440.7	C17H15BrClN3O4	105	546	2.5	26	3	5	3	"InChI=1S/C17H15BrClN3O4/c1-26-12-7-9(6-11(18)15(12)23)14-13(19)17(25)22(14)21-16(24)8-2-4-10(20)5-3-8/h2-7,13-14,23H,20H2,1H3,(H,21,24)"	COC1=C(C(=CC(=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)Br)O	PKBYULAWXQAMBX-UHFFFAOYSA-N
DG54567	"4-Amino-N-(3-chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide"	374177	"NSC651653; CHEMBL1998398; NSC-651653; 4-Amino-N-(3-chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide; NCI60_018024; 4-amino-N-[3-chloro-2-(3,5-dibromo-2-hydroxy-phenyl)-4-oxo-azetidin-1-yl]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651653	.	.	.	.	489.5	C16H12Br2ClN3O3	95.7	533	3.2	25	3	4	2	"InChI=1S/C16H12Br2ClN3O3/c17-8-5-10(14(23)11(18)6-8)13-12(19)16(25)22(13)21-15(24)7-1-3-9(20)4-2-7/h1-6,12-13,23H,20H2,(H,21,24)"	C1=CC(=CC=C1C(=O)NN2C(C(C2=O)Cl)C3=C(C(=CC(=C3)Br)Br)O)N	UJYUMVVFXITEMN-UHFFFAOYSA-N
DG54568	4-Amino-N-(3-chloro-2-(2-chlorophenyl)-4-oxo-1-azetidinyl)benzamide	374178	NSC651654; CHEMBL2007337; 4-Amino-N-(3-chloro-2-(2-chlorophenyl)-4-oxo-1-azetidinyl)benzamide; NSC-651654; NCI60_018025; 4-amino-N-[3-chloro-2-(2-chlorophenyl)-4-oxo-azetidin-1-yl]benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651654	.	.	.	.	350.2	C16H13Cl2N3O2	75.4	468	2.8	23	2	3	2	"InChI=1S/C16H13Cl2N3O2/c17-12-4-2-1-3-11(12)14-13(18)16(23)21(14)20-15(22)9-5-7-10(19)8-6-9/h1-8,13-14H,19H2,(H,20,22)"	C1=CC=C(C(=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)Cl	UREJEGPGLHQRMX-UHFFFAOYSA-N
DG54569	4-(Acetylamino)-N-(3-chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide	374180	NSC651656; CHEMBL1964339; SCHEMBL14679061; NSC-651656; 4-(Acetylamino)-N-(3-chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide; NCI60_018027; 4-acetamido-N-[3-chloro-2-(2-hydroxyphenyl)-4-oxo-azetidin-1-yl]benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651656	.	.	.	.	373.8	C18H16ClN3O4	98.7	565	1.7	26	3	4	3	"InChI=1S/C18H16ClN3O4/c1-10(23)20-12-8-6-11(7-9-12)17(25)21-22-16(15(19)18(22)26)13-4-2-3-5-14(13)24/h2-9,15-16,24H,1H3,(H,20,23)(H,21,25)"	CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=CC=C3O	KOORPEXWDFHDOD-UHFFFAOYSA-N
DG54570	4-(Acetylamino)-N-(2-(5-bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide	374190	NSC651666; CHEMBL1966278; NSC-651666; 4-(Acetylamino)-N-(2-(5-bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide; NCI60_018037; 4-acetamido-N-[2-(5-bromo-2-hydroxy-phenyl)-3-chloro-4-oxo-azetidin-1-yl]benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651666	.	.	.	.	452.7	C18H15BrClN3O4	98.7	599	2.4	27	3	4	3	"InChI=1S/C18H15BrClN3O4/c1-9(24)21-12-5-2-10(3-6-12)17(26)22-23-16(15(20)18(23)27)13-8-11(19)4-7-14(13)25/h2-8,15-16,25H,1H3,(H,21,24)(H,22,26)"	CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=C(C=CC(=C3)Br)O	KWNMQIRTJRMJMU-UHFFFAOYSA-N
DG54571	NSC651688	374202	"(4R,7R,8R,10R,13R,14R,17R)-3,4,6,7-tetrahydroxy-17-[1-[(4S)-6-hydroxy-4-propan-2-yloxan-2-yl]ethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-15-one; Contignasterol; NSC651688; NSC-651688; NCI60_018042; Q2995646"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651688	.	.	.	.	508.7	C29H48O7	127	848	3	36	5	7	3	"InChI=1S/C29H48O7/c1-13(2)15-10-20(36-21(32)11-15)14(3)17-12-19(31)23-22-16(6-8-29(17,23)5)28(4)9-7-18(30)25(33)24(28)27(35)26(22)34/h13-18,20-27,30,32-35H,6-12H2,1-5H3/t14 ,15-,16 ,17+,18 ,20 ,21 ,22+,23+,24 ,25-,26+,27 ,28+,29+/m0/s1"	CC(C)[C@H]1CC(OC(C1)O)C(C)[C@H]2CC(=O)[C@H]3[C@@]2(CCC4[C@H]3[C@H](C(C5[C@@]4(CCC([C@@H]5O)O)C)O)O)C	IRHVLQMEQPABHG-YVDIUZAXSA-N
DG54572	"4-(4-Chlorophenyl)-1,1-dimethyl-4,5-dihydro-1H,3H-[1,3,5]oxadiazepino[5,6-a]benzimidazole"	374204	"NSC651694; 4-(4-Chlorophenyl)-1,1-dimethyl-4,5-dihydro-1H,3H-[1,3,5]oxadiazepino[5,6-a]benzimidazole; CHEMBL2001049; NSC-651694; 4-(4-chlorophenyl)-1,1-dimethyl-3,5-dihydro-[1,3,5]oxadiazepino[5,6-a]benzimidazole; NCI60_018044"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651694	.	.	.	.	327.8	C18H18ClN3O	30.3	425	4.1	23	0	3	1	"InChI=1S/C18H18ClN3O/c1-18(2)17-20-15-5-3-4-6-16(15)22(17)11-21(12-23-18)14-9-7-13(19)8-10-14/h3-10H,11-12H2,1-2H3"	CC1(C2=NC3=CC=CC=C3N2CN(CO1)C4=CC=C(C=C4)Cl)C	XKKVYZYWVUINKZ-UHFFFAOYSA-N
DG54573	"4-(5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one"	374213	"NSC651703; 4-(5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one; CHEMBL1992907; NSC-651703; NCI60_018053; 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651703	.	.	.	.	366.8	C19H15ClN4O2	62.5	570	3.8	26	0	5	3	"InChI=1S/C19H15ClN4O2/c1-12-16(19(25)24(23(12)2)15-6-4-3-5-7-15)18-22-21-17(26-18)13-8-10-14(20)11-9-13/h3-11H,1-2H3"	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NN=C(O3)C4=CC=C(C=C4)Cl	APWBWASUHPOENO-UHFFFAOYSA-N
DG54574	"2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl(phenyl)10-undecenylphosphine oxide"	374219	"NSC651709; 2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl(phenyl)10-undecenylphosphine oxide; CHEMBL2007519; NSC-651709; NCI60_018059; 17-[phenyl(undec-10-enyl)phosphoryl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651709	.	.	.	.	544.7	C31H45O6P	63.2	652	6.3	38	0	6	12	"InChI=1S/C31H45O6P/c1-2-3-4-5-6-7-8-9-13-26-38(32,28-14-11-10-12-15-28)29-16-17-30-31(27-29)37-25-23-35-21-19-33-18-20-34-22-24-36-30/h2,10-12,14-17,27H,1,3-9,13,18-26H2"	C=CCCCCCCCCCP(=O)(C1=CC=CC=C1)C2=CC3=C(C=C2)OCCOCCOCCOCCO3	VNESALLUNPJGSF-UHFFFAOYSA-N
DG54575	"Spiro[isobenzofuran-1(3H),2'-oxiran]-3-one, 3'-phenyl-"	374225	"NSC651715; CHEMBL1993346; Spiro[isobenzofuran-1(3H),2'-oxiran]-3-one, 3'-phenyl-; NSC-651715; NCI60_018064; 3'-phenylspiro[isobenzofuran-3,2'-oxirane]-1-one; Spiro[isobenzofuran-1(3H),2'-oxiran]-3-one, trans-3'-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651715	.	.	.	.	238.24	C15H10O3	38.8	361	2.5	18	0	3	1	"InChI=1S/C15H10O3/c16-14-11-8-4-5-9-12(11)15(18-14)13(17-15)10-6-2-1-3-7-10/h1-9,13H"	C1=CC=C(C=C1)C2C3(O2)C4=CC=CC=C4C(=O)O3	YQDYZPHMROBRNT-UHFFFAOYSA-N
DG54576	Antineoplastic-651744	374245	SCHEMBL6678826; CHEMBL1985714; ANTINEOPLASTIC-651744; NSC651744; NSC-651744	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651744	.	.	.	.	518.4	C24H28BrN3O5	92.8	678	.	33	1	6	10	"InChI=1S/C24H27N3O5.BrH/c1-27(2,20-7-4-3-5-8-20)17-18-11-13-19(14-12-18)25-21(28)9-6-10-24(31)32-26-22(29)15-16-23(26)30;/h3-5,7-8,11-14H,6,9-10,15-17H2,1-2H3;1H"	C[N+](C)(CC1=CC=C(C=C1)NC(=O)CCCC(=O)ON2C(=O)CCC2=O)C3=CC=CC=C3.[Br-]	JQZDSTMMIXDYMH-UHFFFAOYSA-N
DG54577	"2-Methyl-3-(4-methylphenyl)benzo[f]benzimidazole-4,9-dione"	374251	NSC651752; Oprea1_245414; CHEMBL1992339; SCHEMBL18118620; NSC-651752; NCI60_018089; EU-0070102	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651752	.	.	.	.	302.3	C19H14N2O2	52	498	4	23	0	3	1	"InChI=1S/C19H14N2O2/c1-11-7-9-13(10-8-11)21-12(2)20-16-17(21)19(23)15-6-4-3-5-14(15)18(16)22/h3-10H,1-2H3"	CC1=CC=C(C=C1)N2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)C	BMTYBFYNUDRXSH-UHFFFAOYSA-N
DG54578	"2-Methyl-3-pentan-2-ylbenzo[f]benzimidazole-4,9-dione"	374255	NSC651756; CHEMBL1988482; NSC-651756; NCI60_018093	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651756	.	.	.	.	282.34	C17H18N2O2	52	437	3.6	21	0	3	3	"InChI=1S/C17H18N2O2/c1-4-7-10(2)19-11(3)18-14-15(19)17(21)13-9-6-5-8-12(13)16(14)20/h5-6,8-10H,4,7H2,1-3H3"	CCCC(C)N1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)C	QJQFFLAMFYEEEG-UHFFFAOYSA-N
DG54579	"2-Methyl-3-(2-methylbutyl)benzo[f]benzimidazole-4,9-dione"	374259	NSC651760; CHEMBL1991953; NSC-651760; NCI60_018097	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651760	.	.	.	.	282.34	C17H18N2O2	52	437	3.6	21	0	3	3	"InChI=1S/C17H18N2O2/c1-4-10(2)9-19-11(3)18-14-15(19)17(21)13-8-6-5-7-12(13)16(14)20/h5-8,10H,4,9H2,1-3H3"	CCC(C)CN1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)C	RWPQDVHNMXOKFE-UHFFFAOYSA-N
DG54580	"N-[3-[(4-chlorophenyl)methylamino]-1,4-dioxonaphthalen-2-yl]acetamide"	374264	NSC651765; CHEMBL2000831; NSC-651765; NCI60_018102	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651765	.	.	.	.	354.8	C19H15ClN2O3	75.3	594	2.3	25	2	4	4	"InChI=1S/C19H15ClN2O3/c1-11(23)22-17-16(21-10-12-6-8-13(20)9-7-12)18(24)14-4-2-3-5-15(14)19(17)25/h2-9,21H,10H2,1H3,(H,22,23)"	CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC3=CC=C(C=C3)Cl	NCKFSHOUHFVUOL-UHFFFAOYSA-N
DG54581	"N-[3-[(4-methoxyphenyl)methylamino]-1,4-dioxonaphthalen-2-yl]acetamide"	374265	NSC651766; CHEMBL1965442; ZINC20309842; AKOS003293063; MCULE-3327477221; NSC-651766; NCI60_018103	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651766	.	.	.	.	350.4	C20H18N2O4	84.5	605	1.6	26	2	5	5	"InChI=1S/C20H18N2O4/c1-12(23)22-18-17(21-11-13-7-9-14(26-2)10-8-13)19(24)15-5-3-4-6-16(15)20(18)25/h3-10,21H,11H2,1-2H3,(H,22,23)"	CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC3=CC=C(C=C3)OC	PGONJRZDVLPWET-UHFFFAOYSA-N
DG54582	"N-[1,4-dioxo-3-(pentan-3-ylamino)naphthalen-2-yl]acetamide"	374267	NSC651768; CHEMBL1973776; NSC-651768; NCI60_018105	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651768	.	.	.	.	300.35	C17H20N2O3	75.3	506	2	22	2	4	5	"InChI=1S/C17H20N2O3/c1-4-11(5-2)19-15-14(18-10(3)20)16(21)12-8-6-7-9-13(12)17(15)22/h6-9,11,19H,4-5H2,1-3H3,(H,18,20)"	CCC(CC)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C	NLGZBVOCUVGDLH-UHFFFAOYSA-N
DG54583	"N-[3-(3-methylbutylamino)-1,4-dioxonaphthalen-2-yl]acetamide"	374268	NSC651769; CHEMBL2003442; NSC-651769; NCI60_018106	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651769	.	.	.	.	300.35	C17H20N2O3	75.3	508	1.9	22	2	4	5	"InChI=1S/C17H20N2O3/c1-10(2)8-9-18-14-15(19-11(3)20)17(22)13-7-5-4-6-12(13)16(14)21/h4-7,10,18H,8-9H2,1-3H3,(H,19,20)"	CC(C)CCNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C	FYPXXCIMZZLZSR-UHFFFAOYSA-N
DG54584	"3-[2-(Dimethylamino)ethyl]-2-methylbenzo[f]benzimidazole-4,9-dione"	374271	NSC651772; CHEMBL1990061; NSC-651772; NCI60_018109	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651772	.	.	.	.	283.32	C16H17N3O2	55.2	437	2	21	0	4	3	"InChI=1S/C16H17N3O2/c1-10-17-13-14(19(10)9-8-18(2)3)16(21)12-7-5-4-6-11(12)15(13)20/h4-7H,8-9H2,1-3H3"	CC1=NC2=C(N1CCN(C)C)C(=O)C3=CC=CC=C3C2=O	ODKAVAWAZBASLO-UHFFFAOYSA-N
DG54585	"3-[(4-Chlorophenyl)methyl]-2-methylbenzo[f]benzimidazole-4,9-dione"	374273	NSC651774; CHEMBL1993924; NSC-651774; NCI60_018111	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651774	.	.	.	.	336.8	C19H13ClN2O2	52	518	4.2	24	0	3	2	"InChI=1S/C19H13ClN2O2/c1-11-21-16-17(22(11)10-12-6-8-13(20)9-7-12)19(24)15-5-3-2-4-14(15)18(16)23/h2-9H,10H2,1H3"	CC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4C2=O	SVSHJTUWAATVTO-UHFFFAOYSA-N
DG54586	"3-[(4-Fluorophenyl)methyl]-2-methylbenzo[f]benzimidazole-4,9-dione"	374275	NSC651776; CHEMBL1991482; NSC-651776; NCI60_018113	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651776	.	.	.	.	320.3	C19H13FN2O2	52	518	3.7	24	0	4	2	"InChI=1S/C19H13FN2O2/c1-11-21-16-17(22(11)10-12-6-8-13(20)9-7-12)19(24)15-5-3-2-4-14(15)18(16)23/h2-9H,10H2,1H3"	CC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4C2=O	JTHJARBCUPHUQE-UHFFFAOYSA-N
DG54587	"2-Methyl-3-[(4-methylphenyl)methyl]benzo[f]benzimidazole-4,9-dione"	374276	NSC651777; CHEMBL1967760; NSC-651777; NCI60_018114	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651777	.	.	.	.	316.4	C20H16N2O2	52	512	4	24	0	3	2	"InChI=1S/C20H16N2O2/c1-12-7-9-14(10-8-12)11-22-13(2)21-17-18(22)20(24)16-6-4-3-5-15(16)19(17)23/h3-10H,11H2,1-2H3"	CC1=CC=C(C=C1)CN2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)C	HFYBQAZYXYTMPV-UHFFFAOYSA-N
DG54588	"N-[3-(2-methylpropylamino)-1,4-dioxonaphthalen-2-yl]acetamide"	374279	NSC651780; CHEMBL1989954; NSC-651780; NCI60_018117	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651780	.	.	.	.	286.33	C16H18N2O3	75.3	494	1.5	21	2	4	4	"InChI=1S/C16H18N2O3/c1-9(2)8-17-13-14(18-10(3)19)16(21)12-7-5-4-6-11(12)15(13)20/h4-7,9,17H,8H2,1-3H3,(H,18,19)"	CC(C)CNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C	DIARTZFBGMDPCR-UHFFFAOYSA-N
DG54589	"N-[3-(tert-butylamino)-1,4-dioxonaphthalen-2-yl]acetamide"	374280	NSC651781; CHEMBL1978743; NSC-651781; NCI60_018118	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651781	.	.	.	.	286.33	C16H18N2O3	75.3	514	1.2	21	2	4	3	"InChI=1S/C16H18N2O3/c1-9(19)17-12-13(18-16(2,3)4)15(21)11-8-6-5-7-10(11)14(12)20/h5-8,18H,1-4H3,(H,17,19)"	CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC(C)(C)C	CNRIMGNFZDCTGL-UHFFFAOYSA-N
DG54590	"2,7-Dimethoxy-4b-(4-methoxyphenyl)-9a-(4-nitrophenyl)-9,10-dihydroindeno[1,2-a]indene"	374288	"NSC651807; CHEMBL1966441; NSC-651807; 2,7-dimethoxy-4b-(4-methoxyphenyl)-9a-(4-nitrophenyl)-9,10-dihydroindeno[1,2-a]indene; NCI60_018125; (4-(3,8-Dimethoxy-10b-(4-methoxyphenyl)-6,10b-dihydroindeno[1,2-a]inden-5a(5H)-yl)phenyl)(hydroxy)azane oxide; 4b,9,9a,10-Tetrahydro-2,7-dimethoxy-4bbeta-(4-methoxyphenyl)-9abeta-(4-nitrophenyl)indeno[1,2-a]indene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651807	.	.	.	.	493.5	C31H27NO5	73.5	779	6.9	37	0	5	5	"InChI=1S/C31H27NO5/c1-35-25-10-6-23(7-11-25)31-28-14-12-26(36-2)16-20(28)18-30(31,22-4-8-24(9-5-22)32(33)34)19-21-17-27(37-3)13-15-29(21)31/h4-17H,18-19H2,1-3H3"	COC1=CC=C(C=C1)C23C4=C(CC2(CC5=C3C=CC(=C5)OC)C6=CC=C(C=C6)[N+](=O)[O-])C=C(C=C4)OC	RVYBFQCNZYDFKY-UHFFFAOYSA-N
DG54591	"[Acetyl-[5-(trityloxymethyl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclopentane]-6-yl]amino] acetate"	374290	NSC651809; CHEMBL1973151; NSC-651809; NCI60_018127	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651809	.	.	.	.	557.6	C33H35NO7	83.5	856	5	41	0	7	9	"InChI=1S/C33H35NO7/c1-23(35)34(41-24(2)36)29-28(38-31-30(29)39-32(40-31)20-12-13-21-32)22-37-33(25-14-6-3-7-15-25,26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,14-19,28-31H,12-13,20-22H2,1-2H3"	CC(=O)N(C1C(OC2C1OC3(O2)CCCC3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OC(=O)C	IYJIMVRWDNMAIH-UHFFFAOYSA-N
DG54592	NSC651827	374298	"[1-[1-[[3-Hydroxy-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxodecan-3-yl]oxy-1-oxodecan-3-yl] 3-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxydecanoate; NSC651827; CHEMBL1992814; SCHEMBL20966467; NSC-651827; NCI60_018135"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651827	.	.	.	.	1007.3	C51H94N2O17	289	1440	6.5	70	9	17	39	"InChI=1S/C51H94N2O17/c1-8-11-14-17-20-23-36(27-40(56)53-39(31-55)49(64)52-35(30-54)26-32(4)5)67-41(57)28-37(24-21-18-15-12-9-2)68-42(58)29-38(25-22-19-16-13-10-3)69-51-47(63)48(44(60)34(7)66-51)70-50-46(62)45(61)43(59)33(6)65-50/h32-39,43-48,50-51,54-55,59-63H,8-31H2,1-7H3,(H,52,64)(H,53,56)"	CCCCCCCC(CC(=O)NC(CO)C(=O)NC(CC(C)C)CO)OC(=O)CC(CCCCCCC)OC(=O)CC(CCCCCCC)OC1C(C(C(C(O1)C)O)OC2C(C(C(C(O2)C)O)O)O)O	AGCWSENOCLVBIC-UHFFFAOYSA-N
DG54593	"1,1,8-Trichloro-5-methyl-9b-phenyl-5,9b-dihydro-1H-azireno[1,2-d][1,4]benzodiazepin-4(3H)-one"	374300	"NSC651829; 1,1,8-Trichloro-5-methyl-9b-phenyl-5,9b-dihydro-1H-azireno[1,2-d][1,4]benzodiazepin-4(3H)-one; CHEMBL1965422; NSC-651829; 1,1,8-trichloro-5-methyl-9b-phenyl-3H-azirino[1,2-d][1,4]benzodiazepin-4-one; NCI60_018136; 1,1,7-Trichloro-1,8b-dihydro-4-methyl-8b-phenyl-2H-1a,4-diazabenzo[a]cyclopropa[c]cyclohepten-3(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651829	.	.	.	.	367.7	C17H13Cl3N2O	23.3	508	4.1	23	0	2	1	"InChI=1S/C17H13Cl3N2O/c1-21-14-8-7-12(18)9-13(14)16(11-5-3-2-4-6-11)17(19,20)22(16)10-15(21)23/h2-9H,10H2,1H3"	CN1C(=O)CN2C(C2(Cl)Cl)(C3=C1C=CC(=C3)Cl)C4=CC=CC=C4	MBDAGNNYSNKUSM-UHFFFAOYSA-N
DG54594	"2,6-Bis[3-[bis(2-hydroxyethyl)amino]propanoylamino]anthraquinone"	374318	"NSC651843; CHEMBL33760; SCHEMBL8705890; NSC-651843; NCI60_018150; 2,6-Bis[3-[bis(2-hydroxyethyl)amino]propanoylamino]anthraquinone; 3-(Bis(2-hydroxyethyl)amino)-N-(6-((3-(bis(2-hydroxyethyl)amino)propanoyl)amino)-9,10-dioxo-9,10-dihydro-2-anthracenyl)propanamide; 3-[bis(2-hydroxyethyl)amino]-N-[6-[3-[bis(2-hydroxyethyl)amino]propanoylamino]-9,10-dioxo-2-anthryl]propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651843	.	.	.	.	556.6	C28H36N4O8	180	778	-1.6	40	6	10	16	"InChI=1S/C28H36N4O8/c33-13-9-31(10-14-34)7-5-25(37)29-19-1-3-21-23(17-19)28(40)22-4-2-20(18-24(22)27(21)39)30-26(38)6-8-32(11-15-35)12-16-36/h1-4,17-18,33-36H,5-16H2,(H,29,37)(H,30,38)"	C1=CC2=C(C=C1NC(=O)CCN(CCO)CCO)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)CCN(CCO)CCO	MPSGDMIVOLXXBP-UHFFFAOYSA-N
DG54595	NSC651845	374321	4-[2-(2-{3-Acetylamino-2-benzyloxy-5-hydroxy-6-[3-(1-nitro-acridin-9-ylamino)-propionyloxy]-tetrahydro-pyran-4-yloxy}-acetylamino)-propionylamino]-4-carbamoyl-butyric acid methyl ester; NSC651845; CHEMBL2002543; NSC-651845; NCI60_018152; 4-[2-(2-{3-Acetylamino-2-benzyloxy-5-hydroxy-6-[3-(1-nitro-acridin-9-ylamino)-propionyloxy]-tetrahydro-pyran-4-yloxy}-acetylamino)-propionylamino]-4-carbamoyl-butyric acid methyl ester; methyl 4-[2-[[2-[3-acetamido-2-benzyloxy-5-hydroxy-6-[3-[(1-nitroacridin-9-yl)amino]propanoyloxy]tetrahydropyran-4-yl]oxyacetyl]amino]propanoylamino]-5-amino-5-oxo-pentanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651845	.	.	.	.	861.8	C41H47N7O14	302	1560	1.9	62	6	16	21	"InChI=1S/C41H47N7O14/c1-22(39(55)47-28(38(42)54)16-17-31(51)58-3)44-30(50)21-59-37-35(45-23(2)49)40(60-20-24-10-5-4-6-11-24)62-41(36(37)53)61-32(52)18-19-43-34-25-12-7-8-13-26(25)46-27-14-9-15-29(33(27)34)48(56)57/h4-15,22,28,35-37,40-41,53H,16-21H2,1-3H3,(H2,42,54)(H,43,46)(H,44,50)(H,45,49)(H,47,55)"	CC(C(=O)NC(CCC(=O)OC)C(=O)N)NC(=O)COC1C(C(OC(C1O)OC(=O)CCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-])OCC5=CC=CC=C5)NC(=O)C	ZQWFCFYDDHUVMS-UHFFFAOYSA-N
DG54596	NSC651849	374325	"(S)-4-{2-[2-(3-Acetylamino-2-benzyloxy-5-hydroxy-6-hydroxymethyl-tetrahydro-pyran-4-yloxy)-propanoylamino]-propanoylamino}-4-carbamoyl-butyric acid 3-(1-nitro-9,10-dihydro-acridin-9-ylamino)-propyl ester; NSC651849; ANTINEOPLASTIC-651849; NSC-651849; NCI60_018155; (S)-4-{2-[2-(3-Acetylamino-2-benzyloxy-5-hydroxy-6-hydroxymethyl-tetrahydro-pyran-4-yloxy)-propanoylamino]-propanoylamino}-4-carbamoyl-butyric acid 3-(1-nitro-9,10-dihydro-acridin-9-ylamino)-propyl ester; .alpha.-D-Glucopyranoside,10-dihydro-4-nitroacridin- 10-ylamino)propoxy]-1-amino-1,5-dioxo-2-pentylamino]- 3-(3-oxo-2-propylamino)-3-oxo-2-propyl]-; 3-[(1-nitro-9,10-dihydroacridin-9-yl)amino]propyl (4S)-4-[2-[2-[3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoylamino]propanoylamino]-5-amino-5-oxo-pentanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651849	.	.	.	.	863.9	C42H53N7O13	295	1510	1.2	62	8	15	21	"InChI=1S/C42H53N7O13/c1-23(45-41(56)24(2)61-38-36(46-25(3)51)42(62-32(21-50)37(38)53)60-22-26-11-5-4-6-12-26)40(55)48-30(39(43)54)17-18-33(52)59-20-10-19-44-35-27-13-7-8-14-28(27)47-29-15-9-16-31(34(29)35)49(57)58/h4-9,11-16,23-24,30,32,35-38,42,44,47,50,53H,10,17-22H2,1-3H3,(H2,43,54)(H,45,56)(H,46,51)(H,48,55)/t23 ,24 ,30-,32 ,35 ,36 ,37 ,38 ,42 /m0/s1"	CC(C(=O)N[C@@H](CCC(=O)OCCCNC1C2=CC=CC=C2NC3=C1C(=CC=C3)[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C	ZDPBIYQIWKMCQV-HIKCRJBTSA-N
DG54597	NSC651850	374326	"(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-piperidin-1-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one; NSC651850; NSC-651850; NCI60_018156; NCI60_018157"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651850	.	.	.	.	510.6	C28H34N2O7	98.7	781	2.8	37	2	9	7	"InChI=1S/C28H34N2O7/c1-33-22-10-16(11-23(34-2)27(22)31)24-17-12-20-21(37-15-36-20)13-18(17)26(19-14-35-28(32)25(19)24)29-6-9-30-7-4-3-5-8-30/h10-13,19,24-26,29,31H,3-9,14-15H2,1-2H3/t19 ,24 ,25-,26+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NCCN6CCCCC6	BVESBBFTRAGARG-LYJLOTJCSA-N
DG54598	NSC651851	374327	"(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-piperidin-1-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride; NSC651851; NSC-651851"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651851	.	.	.	.	547	C28H35ClN2O7	98.7	781	.	38	3	9	7	"InChI=1S/C28H34N2O7.ClH/c1-33-22-10-16(11-23(34-2)27(22)31)24-17-12-20-21(37-15-36-20)13-18(17)26(19-14-35-28(32)25(19)24)29-6-9-30-7-4-3-5-8-30;/h10-13,19,24-26,29,31H,3-9,14-15H2,1-2H3;1H/t19 ,24 ,25-,26+;/m0./s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NCCN6CCCCC6.Cl	GQNBYLRGRRHGMU-YXXOECCOSA-N
DG54599	NSC651852	374328	"4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoic acid; NSC651852; NSC-651852; NCI60_018158; NCI60_018159"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651852	.	.	.	.	519.5	C28H25NO9	133	864	3.6	38	3	10	6	"InChI=1S/C28H25NO9/c1-34-21-7-14(8-22(35-2)26(21)30)23-16-9-19-20(38-12-37-19)10-17(16)25(18-11-36-28(33)24(18)23)29-15-5-3-13(4-6-15)27(31)32/h3-10,18,23-25,29-30H,11-12H2,1-2H3,(H,31,32)/t18 ,23 ,24-,25+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)C(=O)O	CZXDFQJUHGPKOF-PUEOPUMLSA-N
DG54600	NSC651854	374330	"(5S,8aR)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one; NSC651854; NSC-651854; NCI60_018160; NCI60_018161"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651854	.	.	.	.	572.6	C33H36N2O7	98.7	910	4	42	2	9	7	"InChI=1S/C33H36N2O7/c1-38-27-12-20(13-28(39-2)32(27)36)29-22-14-25-26(42-18-41-25)15-23(22)31(24-17-40-33(37)30(24)29)34-21-8-10-35(11-9-21)16-19-6-4-3-5-7-19/h3-7,12-15,21,24,29-31,34,36H,8-11,16-18H2,1-2H3/t24 ,29 ,30-,31+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6CCN(CC6)CC7=CC=CC=C7	GQMFUALQPLOONU-NQSSNSDLSA-N
DG54601	NSC651855	374331	"(5S,8aR)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride; NSC651855; NSC-651855"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651855	.	.	.	.	609.1	C33H37ClN2O7	98.7	910	.	43	3	9	7	"InChI=1S/C33H36N2O7.ClH/c1-38-27-12-20(13-28(39-2)32(27)36)29-22-14-25-26(42-18-41-25)15-23(22)31(24-17-40-33(37)30(24)29)34-21-8-10-35(11-9-21)16-19-6-4-3-5-7-19;/h3-7,12-15,21,24,29-31,34,36H,8-11,16-18H2,1-2H3;1H/t24 ,29 ,30-,31+;/m0./s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6CCN(CC6)CC7=CC=CC=C7.Cl	QPVFETQLJNDTAC-XIDRKSSOSA-N
DG54602	NSC651856	374332	"(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-morpholin-4-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one; NSC651856; NSC-651856; NCI60_018162; NCI60_018163"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651856	.	.	.	.	512.6	C27H32N2O8	108	782	1.6	37	2	10	7	"InChI=1S/C27H32N2O8/c1-32-21-9-15(10-22(33-2)26(21)30)23-16-11-19-20(37-14-36-19)12-17(16)25(18-13-35-27(31)24(18)23)28-3-4-29-5-7-34-8-6-29/h9-12,18,23-25,28,30H,3-8,13-14H2,1-2H3/t18 ,23 ,24-,25+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NCCN6CCOCC6	XJELDDZCOWMPQO-PUEOPUMLSA-N
DG54603	NSC651857	374333	"(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-morpholin-4-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride; NSC651857; NSC-651857"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651857	.	.	.	.	549	C27H33ClN2O8	108	782	.	38	3	10	7	"InChI=1S/C27H32N2O8.ClH/c1-32-21-9-15(10-22(33-2)26(21)30)23-16-11-19-20(37-14-36-19)12-17(16)25(18-13-35-27(31)24(18)23)28-3-4-29-5-7-34-8-6-29;/h9-12,18,23-25,28,30H,3-8,13-14H2,1-2H3;1H/t18 ,23 ,24-,25+;/m0./s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NCCN6CCOCC6.Cl	MHTBGZOLKFEGKU-FEKGNFRDSA-N
DG54604	NSC651858	374334	"1-[3-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]propyl]pyrrolidin-2-one; NSC651858; NSC-651858; NCI60_018164; NCI60_018165"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651858	.	.	.	.	524.6	C28H32N2O8	116	860	1.9	38	2	9	8	"InChI=1S/C28H32N2O8/c1-34-21-9-15(10-22(35-2)27(21)32)24-16-11-19-20(38-14-37-19)12-17(16)26(18-13-36-28(33)25(18)24)29-6-4-8-30-7-3-5-23(30)31/h9-12,18,24-26,29,32H,3-8,13-14H2,1-2H3/t18 ,24 ,25-,26+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NCCCN6CCCC6=O	IIBZXEMUIIKKNS-XUGQPUMOSA-N
DG54605	NSC651859	374335	"1-[3-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]propyl]pyrrolidin-2-one;hydrochloride; NSC651859; NSC-651859"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651859	.	.	.	.	561	C28H33ClN2O8	116	860	.	39	3	9	8	"InChI=1S/C28H32N2O8.ClH/c1-34-21-9-15(10-22(35-2)27(21)32)24-16-11-19-20(38-14-37-19)12-17(16)26(18-13-36-28(33)25(18)24)29-6-4-8-30-7-3-5-23(30)31;/h9-12,18,24-26,29,32H,3-8,13-14H2,1-2H3;1H/t18 ,24 ,25-,26+;/m0./s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NCCCN6CCCC6=O.Cl	JNYKXOOOXMTHRT-IQRISIDTSA-N
DG54606	NSC651860	374336	"(5S,8aR)-5-[2-(dimethylamino)ethylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one; NSC651860; NSC-651860; NCI60_018166; NCI60_018167"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651860	.	.	.	.	470.5	C25H30N2O7	98.7	709	2	34	2	9	7	"InChI=1S/C25H30N2O7/c1-27(2)6-5-26-23-15-10-18-17(33-12-34-18)9-14(15)21(22-16(23)11-32-25(22)29)13-7-19(30-3)24(28)20(8-13)31-4/h7-10,16,21-23,26,28H,5-6,11-12H2,1-4H3/t16 ,21 ,22-,23+/m0/s1"	CN(C)CCN[C@H]1C2COC(=O)[C@@H]2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC	PGHGGOHEWBODPG-WVVMFJAESA-N
DG54607	NSC651861	374337	"(5S,8aR)-5-[2-(dimethylamino)ethylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride; NSC651861; NSC-651861"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651861	.	.	.	.	507	C25H31ClN2O7	98.7	709	.	35	3	9	7	"InChI=1S/C25H30N2O7.ClH/c1-27(2)6-5-26-23-15-10-18-17(33-12-34-18)9-14(15)21(22-16(23)11-32-25(22)29)13-7-19(30-3)24(28)20(8-13)31-4;/h7-10,16,21-23,26,28H,5-6,11-12H2,1-4H3;1H/t16 ,21 ,22-,23+;/m0./s1"	CN(C)CCN[C@H]1C2COC(=O)[C@@H]2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC.Cl	ZDGAQEWFWMFJLV-WYOHYIEUSA-N
DG54608	"7,16-Bis((2-methoxy-1-naphthyl)methyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane"	374351	"NSC651922; 7,16-Bis((2-methoxy-1-naphthyl)methyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane; 7,16-bis[(2-methoxy-1-naphthyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane; CHEMBL1967161; NSC-651922; NCI60_018176"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651922	.	.	.	.	602.8	C36H46N2O6	61.9	693	4.9	44	0	8	6	"InChI=1S/C36H46N2O6/c1-39-35-13-11-29-7-3-5-9-31(29)33(35)27-37-15-19-41-23-25-43-21-17-38(18-22-44-26-24-42-20-16-37)28-34-32-10-6-4-8-30(32)12-14-36(34)40-2/h3-14H,15-28H2,1-2H3"	COC1=C(C2=CC=CC=C2C=C1)CN3CCOCCOCCN(CCOCCOCC3)CC4=C(C=CC5=CC=CC=C54)OC	GBWBQAOVOFAEPQ-UHFFFAOYSA-N
DG54609	NSC651923	374352	"5-isopropyl-3-methyl-8-[(E)-propyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-propyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol; NSC651923; CHEMBL1966845; NSC-651923; NCI60_018177; [2,2'-Binaphthalene]-1,1',6,6',7,7'-hexol, 3,3'-dimethyl-5,5'-bis(1-methylethyl)-8,8'-bis[(E)-(propylimino)methyl]-; 5-isopropyl-3-methyl-8-[(E)-propyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-propyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651923	.	.	.	.	600.7	C36H44N2O6	146	898	7.8	44	6	8	9	"InChI=1S/C36H44N2O6/c1-9-11-37-15-23-29-21(25(17(3)4)35(43)31(23)39)13-19(7)27(33(29)41)28-20(8)14-22-26(18(5)6)36(44)32(40)24(16-38-12-10-2)30(22)34(28)42/h13-18,39-44H,9-12H2,1-8H3"	CCCN=CC1=C(C(=C(C2=C1C(=C(C(=C2)C)C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCCC)O)O)C(C)C)O)O)C(C)C)O)O	KDUQILNNGDURPN-UHFFFAOYSA-N
DG54610	Ethyl gossypol	374353	"Ethyl gossypol; NSC651925; CHEMBL1986879; NSC-651925; Ethanone, 1,1'-(5,5'-diethyl-1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl[2,2'-binaphthalene]-8,8'-diyl)bis-; NCI60_018179; 1-[7-(8-acetyl-5-ethyl-1,6,7-trihydroxy-3-methyl-2-naphthyl)-4-ethyl-2,3,8-trihydroxy-6-methyl-1-naphthyl]ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651925	.	.	.	.	518.6	C30H30O8	156	808	6.7	38	6	8	5	"InChI=1S/C30H30O8/c1-7-15-17-9-11(3)19(27(35)23(17)21(13(5)31)29(37)25(15)33)20-12(4)10-18-16(8-2)26(34)30(38)22(14(6)32)24(18)28(20)36/h9-10,33-38H,7-8H2,1-6H3"	CCC1=C2C=C(C(=C(C2=C(C(=C1O)O)C(=O)C)O)C3=C(C4=C(C(=C(C(=C4C=C3C)CC)O)O)C(=O)C)O)C	HJXAEEAJDDNYSQ-UHFFFAOYSA-N
DG54611	NSC651927	374355	"methyl 2-[(E)-[7-[8-[(Z)-(1-benzyl-2-methoxy-2-oxo-ethyl)iminomethyl]-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl]-2,3,8-trihydroxy-4-isopropyl-6-methyl-1-naphthyl]methyleneamino]-3-phenyl-propanoate; NSC651927; CHEMBL1989849; NSC-651927; NCI60_018181; 1,1',6,6'-Tetrahydroxy-3,3'-dimethyl-5,5'-diisopropyl-8,8'-bis[[[2-phenyl-1-(methoxycarbonyl)ethyl]amino]methylene]-2,2'-bi[naphthalene]-7,7'(8H,8'H)-dione; 2-({1,6,7,1',6',7'-Hexahydroxy-5,5'-diisopropyl-8'-[(1-methoxycarbonyl-2-phenyl-ethylimino)-methyl]-3,3'-dimethyl-[2,2']binaphthalenyl-8-ylmethylene}-amino)-3-phenyl-propionic acid methyl ester; methyl 2-[(E)-[7-[8-[(Z)-(1-benzyl-2-methoxy-2-oxo-ethyl)iminomethyl]-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl]-2,3,8-trihydroxy-4-isopropyl-6-methyl-1-naphthyl]methyleneamino]-3-phenyl-propanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651927	.	.	.	.	841	C50H52N2O10	199	1400	10.2	62	6	12	15	"InChI=1S/C50H52N2O10/c1-25(2)37-31-19-27(5)39(45(55)41(31)33(43(53)47(37)57)23-51-35(49(59)61-7)21-29-15-11-9-12-16-29)40-28(6)20-32-38(26(3)4)48(58)44(54)34(42(32)46(40)56)24-52-36(50(60)62-8)22-30-17-13-10-14-18-30/h9-20,23-26,35-36,53-58H,21-22H2,1-8H3"	CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NC(CC3=CC=CC=C3)C(=O)OC)C(=C1C4=C(C5=C(C=C4C)C(=C(C(=C5C=NC(CC6=CC=CC=C6)C(=O)OC)O)O)C(C)C)O)O	IQVCJMSEVYNHFH-UHFFFAOYSA-N
DG54612	"2-(1H-Benzimidazol-2-yl((4-methylphenyl)diazenyl)methyl)-1,3-thiazol-4(5H)-one"	374383	"NSC652049; CHEMBL1981652; NSC-652049; 2-(1H-Benzimidazol-2-yl((4-methylphenyl)diazenyl)methyl)-1,3-thiazol-4(5H)-one; NCI60_018209; 2-[1H-benzimidazol-2-yl-[(E)-p-tolylazo]methyl]thiazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652049	.	.	.	.	349.4	C18H15N5OS	108	558	3.9	25	1	5	4	"InChI=1S/C18H15N5OS/c1-11-6-8-12(9-7-11)22-23-16(18-21-15(24)10-25-18)17-19-13-4-2-3-5-14(13)20-17/h2-9,16H,10H2,1H3,(H,19,20)"	CC1=CC=C(C=C1)N=NC(C2=NC3=CC=CC=C3N2)C4=NC(=O)CS4	MOOTYKWSLGHWLW-UHFFFAOYSA-N
DG54613	"2-(1H-Benzimidazol-2-yl((4-chlorophenyl)diazenyl)methyl)-1,3-thiazol-4(5H)-one"	374384	"NSC652050; CHEMBL1997583; NSC-652050; 2-(1H-Benzimidazol-2-yl((4-chlorophenyl)diazenyl)methyl)-1,3-thiazol-4(5H)-one; NCI60_018210; 2-[1H-benzimidazol-2-yl-[(E)-(4-chlorophenyl)azo]methyl]thiazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652050	.	.	.	.	369.8	C17H12ClN5OS	108	563	4.2	25	1	5	4	"InChI=1S/C17H12ClN5OS/c18-10-5-7-11(8-6-10)22-23-15(17-21-14(24)9-25-17)16-19-12-3-1-2-4-13(12)20-16/h1-8,15H,9H2,(H,19,20)"	C1C(=O)N=C(S1)C(C2=NC3=CC=CC=C3N2)N=NC4=CC=C(C=C4)Cl	HMYOJHODMMXPRD-UHFFFAOYSA-N
DG54614	"6,13-Bis(benzyloxy)-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetraazacyclotetradeca-7,14-diene-5,12-dione"	374400	"NSC652110; CHEMBL1990476; NSC-652110; NCI60_018224; (1Z,7Z)-6,13-dibenzyloxy-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetrazacyclotetradeca-7,14-diene-5,12-dione; 6,13-Bis(benzyloxy)-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetraazacyclotetradeca-7,14-diene-5,12-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652110	.	.	.	.	520.7	C30H40N4O4	101	788	2.3	38	2	6	6	"InChI=1S/C30H40N4O4/c1-27(2)19-31-21-30(6,38-18-24-15-11-8-12-16-24)26(36)34-28(3,4)20-32-22-29(5,25(35)33-27)37-17-23-13-9-7-10-14-23/h7-16,21-22H,17-20H2,1-6H3,(H,33,35)(H,34,36)"	CC1(CN=CC(C(=O)NC(CN=CC(C(=O)N1)(C)OCC2=CC=CC=C2)(C)C)(C)OCC3=CC=CC=C3)C	SEGFYKICHJQPLU-UHFFFAOYSA-N
DG54615	"6-(3,5-Dimethoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	374402	"CHEMBL14782; NSC652112; Neuro_000367; BDBM50041123; NSC-652112; NCI60_018226; 6-(3,5-Dimethoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; 6-(3,5-Dimethoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652112	.	.	.	.	325.3	C18H15NO5	66	510	2.9	24	1	6	3	"InChI=1S/C18H15NO5/c1-21-11-3-10(4-12(5-11)22-2)14-7-16(20)13-6-17-18(24-9-23-17)8-15(13)19-14/h3-8H,9H2,1-2H3,(H,19,20)"	COC1=CC(=CC(=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4)OC	DNLQKUBRTBSWQY-UHFFFAOYSA-N
DG54616	"6-(2,4-Dimethoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	374403	"CHEMBL14526; NSC652113; BDBM50041138; NSC-652113; NCI60_018227; 6-(2,4-Dimethoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; 6-(2,4-Dimethoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652113	.	.	.	.	325.3	C18H15NO5	66	522	2.9	24	1	6	3	"InChI=1S/C18H15NO5/c1-21-10-3-4-11(16(5-10)22-2)13-7-15(20)12-6-17-18(24-9-23-17)8-14(12)19-13/h3-8H,9H2,1-2H3,(H,19,20)"	COC1=CC(=C(C=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4)OC	RSKUDFXPSUILEX-UHFFFAOYSA-N
DG54617	"6-(2,5-Dimethoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	374404	"CHEMBL14270; NSC652114; BDBM50041110; NSC-652114; NCI60_018228; 6-(2,5-Dimethoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; 6-(2,5-Dimethoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652114	.	.	.	.	325.3	C18H15NO5	66	522	2.9	24	1	6	3	"InChI=1S/C18H15NO5/c1-21-10-3-4-16(22-2)12(5-10)13-7-15(20)11-6-17-18(24-9-23-17)8-14(11)19-13/h3-8H,9H2,1-2H3,(H,19,20)"	COC1=CC(=C(C=C1)OC)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4	DHCDLLDPADKCKN-UHFFFAOYSA-N
DG54618	"6-Benzo[1,3]dioxol-5-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	374405	"CHEMBL14691; NSC652115; BDBM50041103; NSC-652115; NCI60_018229; 6-(1,3-Benzodioxol-5-yl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one; 6-Benzo[1,3]dioxol-5-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652115	.	.	.	.	309.27	C17H11NO5	66	535	2.8	23	1	6	1	"InChI=1S/C17H11NO5/c19-13-5-11(9-1-2-14-15(3-9)21-7-20-14)18-12-6-17-16(4-10(12)13)22-8-23-17/h1-6H,7-8H2,(H,18,19)"	C1OC2=C(O1)C=C(C=C2)C3=CC(=O)C4=CC5=C(C=C4N3)OCO5	UJFDVDLODPAIOW-UHFFFAOYSA-N
DG54619	Isospiropachysine	374414	Spiropachysine; Isospiropachysine; NSC652124; NSC652125; NSC-652124; NSC-652125; NCI60_018237	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652124	.	.	.	.	462.7	C31H46N2O	23.6	824	7.1	34	0	2	2	"InChI=1S/C31H46N2O/c1-20(32(4)5)24-13-14-25-22-12-11-21-19-31(27-10-8-7-9-23(27)28(34)33(31)6)18-17-29(21,2)26(22)15-16-30(24,25)3/h7-10,20-22,24-26H,11-19H2,1-6H3/t20 ,21 ,22 ,24-,25 ,26 ,29+,30-,31 /m1/s1"	CC([C@H]1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CCC5(C4)C6=CC=CC=C6C(=O)N5C)C)C)N(C)C	SLGWGPQWJRVPAD-IVIUYWDCSA-N
DG54620	"3-Diisopropoxyphosphoryl-1-(4-nitrophenyl)-5-phenyl-1,2,4-triazole"	374417	"NSC652128; CHEMBL1981648; NSC-652128; NCI60_018239; 3-diisopropoxyphosphoryl-1-(4-nitrophenyl)-5-phenyl-1,2,4-triazole; Diisopropyl 1-(4-(hydroxy(oxido)amino)phenyl)-5-phenyl-1H-1,2,4-triazol-3-ylphosphonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652128	.	.	.	.	430.4	C20H23N4O5P	112	601	4.2	30	0	7	7	"InChI=1S/C20H23N4O5P/c1-14(2)28-30(27,29-15(3)4)20-21-19(16-8-6-5-7-9-16)23(22-20)17-10-12-18(13-11-17)24(25)26/h5-15H,1-4H3"	CC(C)OP(=O)(C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])OC(C)C	UPXBTFNHXFWZBI-UHFFFAOYSA-N
DG54621	"4,5,15,16-Tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene;hydrochloride"	374457	NSC652168; CHEMBL2002093; NSC-652168	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652168	.	.	.	.	375.8	C20H22ClNO4	49	461	.	26	2	5	4	"InChI=1S/C20H21NO4.ClH/c1-22-15-9-12-7-14-18-11(5-6-21-14)8-17(24-3)20(25-4)19(18)13(12)10-16(15)23-2;/h7-10,21H,5-6H2,1-4H3;1H"	COC1=CC2=CC3=C4C(=CC(=C(C4=C2C=C1OC)OC)OC)CCN3.Cl	QBWDCHPPUMLOCG-UHFFFAOYSA-N
DG54622	"9-Methoxy-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione"	374506	"NSC652257; 9-Methoxy-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione; CHEMBL1986524; NSC-652257; NCI60_018317; 9-methoxy-11-methyl-benzo[a]carbazole-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652257	.	.	.	.	291.3	C18H13NO3	48.3	528	2.8	22	0	3	1	"InChI=1S/C18H13NO3/c1-19-14-9-10(22-2)3-4-11(14)12-5-6-13-15(20)7-8-16(21)17(13)18(12)19/h3-9H,1-2H3"	CN1C2=C(C=CC(=C2)OC)C3=C1C4=C(C=C3)C(=O)C=CC4=O	SMDCXWRYSGNAAH-UHFFFAOYSA-N
DG54623	"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 3b,4,5,6,7,7a,12,12b-octahydro-2-(4-methoxyphenyl)-4,4,6,6-tetramethyl-"	374509	"NSC652260; Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 3b,4,5,6,7,7a,12,12b-octahydro-2-(4-methoxyphenyl)-4,4,6,6-tetramethyl-; CHEMBL1987494; NSC-652260; (4-methoxyphenyl)-tetramethyl-[ ]dione; NCI60_018320"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652260	.	.	.	.	456.6	C29H32N2O3	62.4	844	5.9	34	1	3	2	"InChI=1S/C29H32N2O3/c1-28(2)14-19-21-18-8-6-7-9-20(18)30-25(21)23-22(24(19)29(3,4)15-28)26(32)31(27(23)33)16-10-12-17(34-5)13-11-16/h6-13,19,22-24,30H,14-15H2,1-5H3"	CC1(CC2C(C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC)C(C1)(C)C)C	HPOCWWVDGXTRGZ-UHFFFAOYSA-N
DG54624	"4-(Methoxymethyl)-11a-phenyl-1,2,4,4a,11a,11b-hexahydro-1,4-methanoindolo[1,2-b][1,2]benzisoxazole-3,11-dione"	374523	"NSC652274; 4-(Methoxymethyl)-11a-phenyl-1,2,4,4a,11a,11b-hexahydro-1,4-methanoindolo[1,2-b][1,2]benzisoxazole-3,11-dione; methoxymethyl(phenyl)[ ]dione; CHEMBL1973472; NSC-652274; NCI60_018334"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652274	.	.	.	.	375.4	C23H21NO4	55.8	703	2.8	28	0	5	3	"InChI=1S/C23H21NO4/c1-27-13-22-12-14(11-18(22)25)19-21(22)28-24-17-10-6-5-9-16(17)20(26)23(19,24)15-7-3-2-4-8-15/h2-10,14,19,21H,11-13H2,1H3"	COCC12CC(CC1=O)C3C2ON4C3(C(=O)C5=CC=CC=C54)C6=CC=CC=C6	FLDNSLQVGNOXOV-UHFFFAOYSA-N
DG54625	"6-p-Tolyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	374534	"CHEMBL418352; NSC652285; BDBM50041115; NSC-652285; NCI60_018344; 6-p-Tolyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; 6-(4-Methylphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652285	.	.	.	.	279.29	C17H13NO3	47.6	453	3.4	21	1	4	1	"InChI=1S/C17H13NO3/c1-10-2-4-11(5-3-10)13-7-15(19)12-6-16-17(21-9-20-16)8-14(12)18-13/h2-8H,9H2,1H3,(H,18,19)"	CC1=CC=C(C=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4	OBBCMZTVWBVNPS-UHFFFAOYSA-N
DG54626	Rita	374536	"213261-59-7; RITA; NSC 652287; RITA (NSC 652287); 5,5'-(2,5-Furandiyl)bis-2-thiophenemethanol; SOS BISMETHANOL; (5,5'-(furan-2,5-diyl)bis(thiophene-5,2-diyl))dimethanol; [5-[5-[5-(hydroxymethyl)thiophen-2-yl]furan-2-yl]thiophen-2-yl]methanol; RITA (NSC-652287); NSC652287; NSC-652287; p53 Activator III, RITA; (5-{5-[5-(HYDROXYMETHYL)THIOPHEN-2-YL]FURAN-2-YL}THIOPHEN-2-YL)METHANOL; RITA (NSC652287); 2,5-bis(5-hydroxymethyl-2-thienyl)furan; NCIChal_000017; NCIMech_000598; RITA, p53 activator III; 2-thiophenemethanol, 5,5'-(2,5-furandiyl)bis-; MLS006010259; SCHEMBL3437235; ZINC6846; CHEMBL1555354; CHEBI:94980; AOB3996; DTXSID40327405; EX-A138; RITA(NSC 652287); HMS3269E07; HMS3649L04; HMS3656F08; BCP06744; CCG-35976; CCG-36488; MFCD03235294; QC-516; AKOS024457101; CS-1403; SB19403; NCGC00159570-01; NCGC00159570-03; AS-65799; DA-43272; HY-13424; NCI60_018346; SMR001565178; (2,5-Furandiyldi-5,2-thienediyl)dimethanol; FT-0703160; Furan,5-bis[5-(hydroxymethyl)-2-thienyl]-; S2781; SW220276-1; Y0467; EC-000.2434; Thiophene-2-methanol,5'-(2,5-furandiyl)bis-; SR-01000946732; J-013994; J-516462; SR-01000946732-1; BRD-K00317371-001-01-2; Q27166742; 2-Thiophenemethanol, 5,5'-(2,5-furandiyl)bis- (9CI); [5-[5-[5-(hydroxymethyl)-2-thiophenyl]-2-furanyl]-2-thiophenyl]methanol; p53 Activator III, RITA; NSC 652287; NSC-652287; NSC652287; Sos Bismethanol; RITA; ; ; [5-[5-[5-(hydroxymethyl)thiophen-2-yl]furan-2-yl]thiophen-2-yl]methanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652287	.	.	.	.	292.4	C14H12O3S2	110	274	2	19	2	5	4	"InChI=1S/C14H12O3S2/c15-7-9-1-5-13(18-9)11-3-4-12(17-11)14-6-2-10(8-16)19-14/h1-6,15-16H,7-8H2"	C1=C(SC(=C1)C2=CC=C(O2)C3=CC=C(S3)CO)CO	KZENBFUSKMWCJF-UHFFFAOYSA-N
DG54627	"3-Mesityl-4,6-dimethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d]isoxazole"	374544	"NSC652294; 3-Mesityl-4,6-dimethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d]isoxazole; CHEMBL1992247; NSC-652294; NCI60_018349; 4,6-dimethoxy-3-(2,4,6-trimethylphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d]isoxazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652294	.	.	.	.	291.34	C16H21NO4	49.3	401	2.6	21	0	5	3	"InChI=1S/C16H21NO4/c1-8-6-9(2)11(10(3)7-8)13-12-14(21-17-13)16(19-5)20-15(12)18-4/h6-7,12,14-16H,1-5H3"	CC1=CC(=C(C(=C1)C)C2=NOC3C2C(OC3OC)OC)C	BFBGGXPUCZOTIB-UHFFFAOYSA-N
DG54628	8-Methyl-3-(8-methyl-4-oxo-chromen-3-yl)selanyl-chromen-4-one	374558	"NSC652533; CHEMBL1972835; NSC-652533; NCI60_018358; 4H-1-Benzopyran-4-one, 3,3'-selenobis[8-methyl-; 8-methyl-3-(8-methyl-4-oxo-chromen-3-yl)selanyl-chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652533	.	.	.	.	397.3	C20H14O4Se	52.6	584	.	25	0	4	2	"InChI=1S/C20H14O4Se/c1-11-5-3-7-13-17(21)15(9-23-19(11)13)25-16-10-24-20-12(2)6-4-8-14(20)18(16)22/h3-10H,1-2H3"	CC1=C2C(=CC=C1)C(=O)C(=CO2)[Se]C3=COC4=C(C=CC=C4C3=O)C	CLVZZTPNMOXYCF-UHFFFAOYSA-N
DG54629	Ethyl (3-cyclohexen-1-ylmethoxy)(phenylthio)acetate	374573	NSC652547; Ethyl (3-cyclohexen-1-ylmethoxy)(phenylthio)acetate; CHEMBL1982265; NSC-652547; NCI60_018370; ethyl 2-(cyclohex-3-en-1-ylmethoxy)-2-phenylsulfanyl-acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652547	.	.	.	.	306.4	C17H22O3S	60.8	337	4.5	21	0	4	8	"InChI=1S/C17H22O3S/c1-2-19-16(18)17(21-15-11-7-4-8-12-15)20-13-14-9-5-3-6-10-14/h3-5,7-8,11-12,14,17H,2,6,9-10,13H2,1H3"	CCOC(=O)C(OCC1CCC=CC1)SC2=CC=CC=C2	ODCDGHXXYLBEKK-UHFFFAOYSA-N
DG54630	"Dibenzo[f,m][1,8,4,11]dithiadiazacyclotetradecine-8,17(9H,18H)-diacetic acid, 6,7,15,16-tetrahydro-"	374575	"NSC652549; CHEMBL1983808; 2-(carboxymethyl[ ]yl)acetic acid; NSC-652549; Dibenzo[f,m][1,8,4,11]dithiadiazacyclotetradecine-8,17(9H,18H)-diacetic acid, 6,7,15,16-tetrahydro-; NCI60_018372"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652549	.	.	.	.	446.6	C22H26N2O4S2	132	517	-1.3	30	2	8	4	"InChI=1S/C22H26N2O4S2/c25-21(26)15-23-9-12-30-20-8-4-2-6-18(20)14-24(16-22(27)28)10-11-29-19-7-3-1-5-17(19)13-23/h1-8H,9-16H2,(H,25,26)(H,27,28)"	C1CSC2=CC=CC=C2CN(CCSC3=CC=CC=C3CN1CC(=O)O)CC(=O)O	ANMWFBKSYJTLMJ-UHFFFAOYSA-N
DG54631	5-(4-Fluorophenyl)-2-((8-((5-(4-fluorophenyl)-4-propyl-1H-imidazol-2-yl)thio)octyl)thio)-4-propyl-1H-imidazole methanesulfonate	374589	NSC652562; CHEMBL1995249; NSC-652562; 5-(4-Fluorophenyl)-2-((8-((5-(4-fluorophenyl)-4-propyl-1H-imidazol-2-yl)thio)octyl)thio)-4-propyl-1H-imidazole methanesulfonate; 5-(4-fluorophenyl)-2-[8-[[5-(4-fluorophenyl)-4-propyl-1H-imidazol-2-yl]sulfanyl]octylsulfanyl]-4-propyl-1H-imidazole; methanesulfonic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652562	.	.	.	.	678.9	C33H44F2N4O3S3	171	712	.	45	3	9	17	"InChI=1S/C32H40F2N4S2.CH4O3S/c1-3-11-27-29(23-13-17-25(33)18-14-23)37-31(35-27)39-21-9-7-5-6-8-10-22-40-32-36-28(12-4-2)30(38-32)24-15-19-26(34)20-16-24;1-5(2,3)4/h13-20H,3-12,21-22H2,1-2H3,(H,35,37)(H,36,38);1H3,(H,2,3,4)"	CCCC1=C(N=C(N1)SCCCCCCCCSC2=NC(=C(N2)CCC)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.CS(=O)(=O)O	JUMCLLGZRVASPB-UHFFFAOYSA-N
DG54632	"9-Chloro-2,3,5,11-tetramethyl-6H-pyrido[3,2-b]carbazol-4-ol methanesulfonate"	374595	"NSC652565; CHEMBL1968077; NSC-652565; 9-Chloro-2,3,5,11-tetramethyl-6H-pyrido[3,2-b]carbazol-4-ol methanesulfonate; 9-chloro-2,3,5,11-tetramethyl-6H-pyrido[3,2-b]carbazol-4-ol; methanesulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652565	.	.	.	.	420.9	C20H21ClN2O4S	108	652	.	28	3	5	0	"InChI=1S/C19H17ClN2O.CH4O3S/c1-8-11(4)21-18-9(2)15-13-7-12(20)5-6-14(13)22-17(15)10(3)16(18)19(8)23;1-5(2,3)4/h5-7,22H,1-4H3,(H,21,23);1H3,(H,2,3,4)"	CC1=C(NC2=C(C1=O)C(=C3C(=C2C)C4=C(N3)C=CC(=C4)Cl)C)C.CS(=O)(=O)O	PLFIIXGXJSDAFW-UHFFFAOYSA-N
DG54633	"2,6-Bis(2-phenylethyl)-1,2,6-thiadiazinane-3,5-dione 1,1-dioxide"	374621	"NSC652590; 2,6-Bis(2-phenylethyl)-1,2,6-thiadiazinane-3,5-dione 1,1-dioxide; CHEMBL1630907; 1,1-dioxo-2,6-diphenethyl-1,2,6-thiadiazinane-3,5-dione; NSC-652590; NCI60_018413; 2,3,5,6-Tetrahydro-3,5-dioxo-2,6-bis(2-phenylethyl)-4H-1,2,6-thiadiazine 1,1-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652590	.	.	.	.	372.4	C19H20N2O4S	83.1	556	2.8	26	0	4	6	"InChI=1S/C19H20N2O4S/c22-18-15-19(23)21(14-12-17-9-5-2-6-10-17)26(24,25)20(18)13-11-16-7-3-1-4-8-16/h1-10H,11-15H2"	C1C(=O)N(S(=O)(=O)N(C1=O)CCC2=CC=CC=C2)CCC3=CC=CC=C3	PVYWPEOGKAMSAS-UHFFFAOYSA-N
DG54634	NSC652591	374622	"N-acetyl-N-[16-(benzenesulfonyl)-3,5-dioxo-4-phenyl-2,4,6,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-8,10,12,14-tetraen-8-yl]acetamide; NSC652591; CHEMBL1978753; NSC-652591; NCI60_018414; N-acetyl-N-(benzenesulfonyl-dioxo-phenyl-[ ]yl)acetamide; N-Acetyl-N-(1,3-dioxo-2-phenyl-11-(phenylsulfonyl)-2,3,11,11a-tetrahydro-1H,5H-[1,2,4]triazolo[1',2':1,2]pyridazino[3,4-b]indol-6-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652591	.	.	.	.	557.6	C28H23N5O6S	127	1220	1.9	40	0	7	4	"InChI=1S/C28H23N5O6S/c1-18(34)30(19(2)35)24-17-29-27(36)31(20-11-5-3-6-12-20)28(37)32(29)26-25(24)22-15-9-10-16-23(22)33(26)40(38,39)21-13-7-4-8-14-21/h3-16,26H,17H2,1-2H3"	CC(=O)N(C1=C2C(N(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)N5C(=O)N(C(=O)N5C1)C6=CC=CC=C6)C(=O)C	BDZIWQMQWQPSKI-UHFFFAOYSA-N
DG54635	Diphenylphosphanide;gold;dinitrate	374625	"NSC652594; NSC-652594; NCI60_018417; 1,3-di[ ]-2,2,4,4-tetraphenyl-[ ]bicyclo[1.1.0]butane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652594	.	.	.	.	888.3	C24H20Au2N2O6P2-4	126	442	.	36	0	8	4	InChI=1S/2C12H10P.2Au.2NO3/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;2*2-1(3)4/h2*1-10H;;;;/q2*-1;;;2*-1	C1=CC=C(C=C1)[P-]C2=CC=CC=C2.C1=CC=C(C=C1)[P-]C2=CC=CC=C2.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Au].[Au]	SZGGNIDDTOTLRJ-UHFFFAOYSA-N
DG54636	"[1,3-Oxazol-5-yl-[4-(1,3,4,5-tetrahydroxyhexyl)-1,3-oxazol-2-yl]methyl] tridecanoate"	374628	CHEMBL1983520; NSC652603; NSC-652603; NCI60_018420	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652603	.	.	.	.	510.6	C26H42N2O8	159	598	4	36	4	10	20	"InChI=1S/C26H42N2O8/c1-3-4-5-6-7-8-9-10-11-12-13-23(32)36-25(22-15-27-17-35-22)26-28-19(16-34-26)20(30)14-21(31)24(33)18(2)29/h15-18,20-21,24-25,29-31,33H,3-14H2,1-2H3"	CCCCCCCCCCCCC(=O)OC(C1=CN=CO1)C2=NC(=CO2)C(CC(C(C(C)O)O)O)O	YOIVNBDPUVQHEX-UHFFFAOYSA-N
DG54637	Acetic acid;2-amino-5-[[1-(carboxymethylamino)-3-[hydroxy(phenyl)carbamoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid	374647	NSC652683; CHEMBL1969637; NSC-652683	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652683	.	.	.	.	502.5	C19H26N4O10S	262	672	.	34	7	12	12	"InChI=1S/C17H22N4O8S.C2H4O2/c18-11(16(26)27)6-7-13(22)20-12(15(25)19-8-14(23)24)9-30-17(28)21(29)10-4-2-1-3-5-10;1-2(3)4/h1-5,11-12,29H,6-9,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27);1H3,(H,3,4)"	CC(=O)O.C1=CC=C(C=C1)N(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O	XTOGZMLSFUKMMU-UHFFFAOYSA-N
DG54638	"N-(3-hydroxy-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide"	374652	"NSC652728; CHEMBL275851; NSC-652728; N-(3-Hydroxy-5-imino-7-methyl-8-oxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide; N-(3-hydroxy-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide; NCI60_018440"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652728	.	.	.	.	274.28	C13H14N4O3	108	542	-0.7	20	3	5	1	"InChI=1S/C13H14N4O3/c1-5-9(15-6(2)18)8(14)10-11(12(5)20)17-4-3-7(19)13(17)16-10/h7,14,19H,3-4H2,1-2H3,(H,15,18)"	CC1=C(C(=N)C2=C(C1=O)N3CCC(C3=N2)O)NC(=O)C	SAZHZLQIWXWAOA-UHFFFAOYSA-N
DG54639	"N-(7-methoxy-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide"	374654	"NSC652730; CHEMBL1999616; NSC-652730; N-(7-Methoxy-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide; N-(7-methoxy-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide; NCI60_018442; N-[(2,3,5,8-Tetrahydro-5,8-dioxo-7-methoxy-1H-pyrrolo[1,2-a]benzimidazol)-6-yl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652730	.	.	.	.	275.26	C13H13N3O4	90.3	528	0.1	20	1	5	2	"InChI=1S/C13H13N3O4/c1-6(17)14-9-11(18)8-10(12(19)13(9)20-2)16-5-3-4-7(16)15-8/h3-5H2,1-2H3,(H,14,17)"	CC(=O)NC1=C(C(=O)C2=C(C1=O)N=C3N2CCC3)OC	ZDIJAIYHGMGCFC-UHFFFAOYSA-N
DG54640	"4,9,13,18-Tetrazapentacyclo[10.6.0.03,10.04,8.014,18]octadeca-1(12),3(10),8,13-tetraene-2,11-dione"	374655	"NSC652731; CHEMBL20080; NSC-652731; NCI60_018443; 2,3,6,7-Tetrahydro-1H,5H-3a,4b,8,10-tetraaza-dicyclopenta[a,h]-s-indacene-4,9-dione; 2,3,7,8,9,11-Hexahydro-1H,5H-pyrrolo[1,2-a]pyrrolo[1',2':1,2]imidazo[4,5-f]benzimidazole-5,11-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652731	.	.	.	.	268.27	C14H12N4O2	69.8	456	1.1	20	0	4	0	InChI=1S/C14H12N4O2/c19-13-9-11(17-5-1-3-7(17)15-9)14(20)12-10(13)16-8-4-2-6-18(8)12/h1-6H2	C1CC2=NC3=C(N2C1)C(=O)C4=C(C3=O)N=C5N4CCC5	DTQQFGXBNSEYAW-UHFFFAOYSA-N
DG54641	"N2-(3,4-dichlorophenyl)quinoxaline-2,6-diamine"	374662	"NSC652762; CHEMBL1988866; NSC-652762; NCI60_018451; N2-(3,4-dichlorophenyl)quinoxaline-2,6-diamine; N~2~-(3,4-Dichlorophenyl)-2,6-quinoxalinediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652762	.	.	.	.	305.2	C14H10Cl2N4	63.8	330	3.7	20	2	4	2	"InChI=1S/C14H10Cl2N4/c15-10-3-2-9(6-11(10)16)19-14-7-18-13-5-8(17)1-4-12(13)20-14/h1-7H,17H2,(H,19,20)"	C1=CC2=NC(=CN=C2C=C1N)NC3=CC(=C(C=C3)Cl)Cl	GQHNCWKTUIXZAC-UHFFFAOYSA-N
DG54642	"N-(4-Methoxybenzyl)quinoxaline-2,7-diamine"	374665	"NSC652765; CHEMBL1989186; NSC-652765; NCI60_018454; N-(4-Methoxybenzyl)quinoxaline-2,7-diamine; N2-(4 methoxybenzyl)quinoxaline-2,7-diamine; N~2~-(4-Methoxybenzyl)-2,7-quinoxalinediamine; N2-[(4-methoxyphenyl)methyl]quinoxaline-2,7-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652765	.	.	.	.	280.32	C16H16N4O	73.1	319	2.3	21	2	5	4	"InChI=1S/C16H16N4O/c1-21-13-5-2-11(3-6-13)9-19-16-10-18-14-7-4-12(17)8-15(14)20-16/h2-8,10H,9,17H2,1H3,(H,19,20)"	COC1=CC=C(C=C1)CNC2=CN=C3C=CC(=CC3=N2)N	HGNIQGQDVVWNGE-UHFFFAOYSA-N
DG54643	2-(Benzylsulfinyl)-3-(2-thienyl)quinoxaline	374668	NSC652768; 2-(Benzylsulfinyl)-3-(2-thienyl)quinoxaline; CHEMBL2001417; NSC-652768; NCI60_018457; 2-benzylsulfinyl-3-(2-thienyl)quinoxaline; Benzyl 3-(2-thienyl)-2-quinoxalinyl sulfoxide; [3-(2-Thienyl)quinoxalin-2-yl]benzyl sulfoxide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652768	.	.	.	.	350.5	C19H14N2OS2	90.3	441	3.6	24	0	5	4	"InChI=1S/C19H14N2OS2/c22-24(13-14-7-2-1-3-8-14)19-18(17-11-6-12-23-17)20-15-9-4-5-10-16(15)21-19/h1-12H,13H2"	C1=CC=C(C=C1)CS(=O)C2=NC3=CC=CC=C3N=C2C4=CC=CS4	PYHGYMDSADRIIM-UHFFFAOYSA-N
DG54644	"(3R,3aS)-3-phenyl-3a,4-dihydro-3H-thiochromeno[4,3-c]pyrazole-2-carboxamide"	374673	NSC652807; CHEMBL1997687; NSC-652807; NCI60_018462	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652807	.	.	.	.	309.4	C17H15N3OS	84	475	2.4	22	1	3	1	"InChI=1S/C17H15N3OS/c18-17(21)20-16(11-6-2-1-3-7-11)13-10-22-14-9-5-4-8-12(14)15(13)19-20/h1-9,13,16H,10H2,(H2,18,21)/t13-,16+/m1/s1"	C1[C@H]2[C@@H](N(N=C2C3=CC=CC=C3S1)C(=O)N)C4=CC=CC=C4	UWDGZLVIPODGSF-CJNGLKHVSA-N
DG54645	"(3R,3aS)-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole-2-carboxamide"	374676	NSC652810; CHEMBL1997884; NSC-652810; NCI60_018465	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652810	.	.	.	.	293.32	C17H15N3O2	67.9	473	1.9	22	1	3	1	"InChI=1S/C17H15N3O2/c18-17(21)20-16(11-6-2-1-3-7-11)13-10-22-14-9-5-4-8-12(14)15(13)19-20/h1-9,13,16H,10H2,(H2,18,21)/t13-,16+/m1/s1"	C1[C@H]2[C@@H](N(N=C2C3=CC=CC=C3O1)C(=O)N)C4=CC=CC=C4	WIQHINSZZKPWDP-CJNGLKHVSA-N
DG54646	"(3aS)-2-methyl-3-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole"	374678	NSC652812; NSC-652812; NCI60_018467	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652812	.	.	.	.	262.3	C18H18N2	15.6	383	3.9	20	0	2	1	"InChI=1S/C18H18N2/c1-20-18(14-8-3-2-4-9-14)16-12-11-13-7-5-6-10-15(13)17(16)19-20/h2-10,16,18H,11-12H2,1H3/t16-,18 /m1/s1"	CN1C([C@@H]2CCC3=CC=CC=C3C2=N1)C4=CC=CC=C4	FXWIAQVCWJJHKP-PYUWXLGESA-N
DG54647	"3-[(3aS)-2-methyl-3,3a,4,5-tetrahydrobenzo[g]indazol-3-yl]phenol"	374680	NSC652814; NSC-652814; NCI60_018469	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652814	.	.	.	.	278.3	C18H18N2O	35.8	421	3.5	21	1	3	1	"InChI=1S/C18H18N2O/c1-20-18(13-6-4-7-14(21)11-13)16-10-9-12-5-2-3-8-15(12)17(16)19-20/h2-8,11,16,18,21H,9-10H2,1H3/t16-,18 /m1/s1"	CN1C([C@@H]2CCC3=CC=CC=C3C2=N1)C4=CC(=CC=C4)O	SMBKGAFTZREEPP-PYUWXLGESA-N
DG54648	"Tricyclo[3.3.1.0(sup 2, 3-phosphono-"	374709	"NSC652894; phosphono[ ]carboxylic acid; CHEMBL1977575; NSC-652894; NCI60_018491; Tricyclo[3.3.1.0(sup 2, 3-phosphono-; Tricyclo[3.3.1.0(sup 2,7)]non-3-3n3-1-carboxylic acid, 3-phosphono-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652894	.	.	.	.	244.18	C10H13O5P	94.8	450	-1.1	16	3	5	2	"InChI=1S/C10H13O5P/c11-9(12)10-3-5-1-6(4-10)8(2-7(5)10)16(13,14)15/h2,5-7H,1,3-4H2,(H,11,12)(H2,13,14,15)"	C1C2CC3(C2C=C(C1C3)P(=O)(O)O)C(=O)O	SXBBKMOVSMMCCS-UHFFFAOYSA-N
DG54649	"N'-(4-chlorobenzoyl)-1,2-benzothiazole-3-carbohydrazide"	374721	"NSC652913; CHEMBL1967135; N'-(4-Chlorobenzoyl)-1,2-benzisothiazole-3-carbohydrazide; N'-(4-chlorobenzoyl)-1,2-benzothiazole-3-carbohydrazide; NSC-652913; NCI60_018499"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652913	.	.	.	.	331.8	C15H10ClN3O2S	99.3	429	3.7	22	2	4	2	"InChI=1S/C15H10ClN3O2S/c16-10-7-5-9(6-8-10)14(20)17-18-15(21)13-11-3-1-2-4-12(11)22-19-13/h1-8H,(H,17,20)(H,18,21)"	C1=CC=C2C(=C1)C(=NS2)C(=O)NNC(=O)C3=CC=C(C=C3)Cl	QLUNKAAZTFUVIC-UHFFFAOYSA-N
DG54650	"2-(1,2-Benzothiazol-3-yl)-5-phenyl-1,3,4-oxadiazole"	374723	"NSC652915; CHEMBL288274; 2-(1,2-benzothiazol-3-yl)-5-phenyl-1,3,4-oxadiazole; NSC-652915; NCI60_018501; 3-(5-Phenyl-1,3,4-oxadiazol-2-yl)-1,2-benzisothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652915	.	.	.	.	279.3	C15H9N3OS	80	337	3.5	20	0	5	2	InChI=1S/C15H9N3OS/c1-2-6-10(7-3-1)14-16-17-15(19-14)13-11-8-4-5-9-12(11)20-18-13/h1-9H	C1=CC=C(C=C1)C2=NN=C(O2)C3=NSC4=CC=CC=C43	LQCNYQSVWRBJNB-UHFFFAOYSA-N
DG54651	"5-(1,2-Benzisothiazol-3-yl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine"	374732	"NSC652924; CHEMBL1987478; 5-(1,2-Benzisothiazol-3-yl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine; 5-(1,2-benzothiazol-3-yl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine; NSC-652924; NCI60_018510; N-(5-(1,2-Benzisothiazol-3-yl)-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652924	.	.	.	.	340.4	C16H12N4OS2	116	394	4.3	23	1	7	4	"InChI=1S/C16H12N4OS2/c1-21-11-8-6-10(7-9-11)17-16-19-18-15(22-16)14-12-4-2-3-5-13(12)23-20-14/h2-9H,1H3,(H,17,19)"	COC1=CC=C(C=C1)NC2=NN=C(S2)C3=NSC4=CC=CC=C43	VOMGKFAJFZVWKH-UHFFFAOYSA-N
DG54652	"3-(4-Ethyl-4H-1,2,4-triazol-3-yl)-1,2-benzisothiazole"	374733	"NSC652925; 3-(4-Ethyl-4H-1,2,4-triazol-3-yl)-1,2-benzisothiazole; 3-(4-ethyl-1,2,4-triazol-3-yl)-1,2-benzothiazole; CHEMBL1982307; NSC-652925; NCI60_018511"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652925	.	.	.	.	230.29	C11H10N4S	71.8	250	1.8	16	0	4	2	"InChI=1S/C11H10N4S/c1-2-15-7-12-13-11(15)10-8-5-3-4-6-9(8)16-14-10/h3-7H,2H2,1H3"	CCN1C=NN=C1C2=NSC3=CC=CC=C32	VIEDSAGGHWDGTE-UHFFFAOYSA-N
DG54653	"3-(4-Methoxyphenyl)[1,2,4]triazolo[4,3-b][1,2]benzisothiazole"	374743	"NSC652935; 3-(4-Methoxyphenyl)[1,2,4]triazolo[4,3-b][1,2]benzisothiazole; CHEMBL1981165; 3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2]benzothiazole; NSC-652935; NCI60_018521; Methyl 4-[1,2,4]triazolo[4,3-b][1,2]benzisothiazol-3-ylphenyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652935	.	.	.	.	281.3	C15H11N3OS	67.7	348	3.8	20	0	4	2	"InChI=1S/C15H11N3OS/c1-19-11-8-6-10(7-9-11)14-16-17-15-12-4-2-3-5-13(12)20-18(14)15/h2-9H,1H3"	COC1=CC=C(C=C1)C2=NN=C3N2SC4=CC=CC=C43	DMHJRZOMTQNIPB-UHFFFAOYSA-N
DG54654	NSC653000	374756	"2-((((4,6-Bis(bis(((2-hydroxyethyl)amino)methyl)amino)-1,3,5-triazin-2-yl)(((2-hydroxyethyl)amino)methyl)amino)methyl)amino)ethanol; NSC653000; Hexahydroxyethylaminomethyl melamine; NCIMech_000112; 2-((((4,6-Bis(bis(((2-hydroxyethyl)amino)methyl)amino)-1,3,5-triazin-2-yl)(((2-hydroxyethyl)amino)methyl)amino)methyl)amino)ethanol; CHEMBL1974990; ZINC5844141; CCG-35456; NSC-653000; 2-[[[4,6-bis[bis[(2-hydroxyethylamino)methyl]amino]-1,3,5-triazin-2-yl]-[(2-hydroxyethylamino)methyl]amino]methylamino]ethanol; NCI60_018530"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653000	.	.	.	.	564.7	C21H48N12O6	242	436	-4.8	39	12	18	27	"InChI=1S/C21H48N12O6/c34-7-1-22-13-31(14-23-2-8-35)19-28-20(32(15-24-3-9-36)16-25-4-10-37)30-21(29-19)33(17-26-5-11-38)18-27-6-12-39/h22-27,34-39H,1-18H2"	C(CO)NCN(CNCCO)C1=NC(=NC(=N1)N(CNCCO)CNCCO)N(CNCCO)CNCCO	FYHOLWAKUFPPAM-UHFFFAOYSA-N
DG54655	Tricyanoethoxymethyl trimethylol melamine	374757	NSC653001; CHEMBL1966561; NSC-653001; Tricyanoethoxymethyl trimethylol melamine; NCI60_018531	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653001	.	.	.	.	465.5	C18H27N9O6	208	572	-1.5	33	3	15	18	"InChI=1S/C18H27N9O6/c19-4-1-7-31-13-25(10-28)16-22-17(26(11-29)14-32-8-2-5-20)24-18(23-16)27(12-30)15-33-9-3-6-21/h28-30H,1-3,7-15H2"	C(COCN(CO)C1=NC(=NC(=N1)N(CO)COCCC#N)N(CO)COCCC#N)C#N	NPNNTIGEXAGSMY-UHFFFAOYSA-N
DG54656	"10-Methoxy-8,8-dimethyl-4-(2-phenylethyl)-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one"	374759	"NSC653003; 10-Methoxy-8,8-dimethyl-4-(2-phenylethyl)-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one; CHEMBL1981313; ZINC1633472; 10-methoxy-2,2-dimethyl-6-phenethyl-3,4-dihydropyrano[3,2-g]chromen-8-one; NSC-653003; NCI60_018533; 2h,2-b:5,4-b']dipyran-2-one, 7,8-dihydro-10-meth- oxy-8,8-dimethyl-4-(2-phenylethyl)-; {2h,6h-Benzo[1,2-b:5,4-b']dipyran-2-one,} 7,8-dihydro-10-meth- oxy-8,8-dimethyl-4-(2-phenylethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653003	.	.	.	.	364.4	C23H24O4	44.8	575	4.6	27	0	4	4	"InChI=1S/C23H24O4/c1-23(2)12-11-17-13-18-16(10-9-15-7-5-4-6-8-15)14-19(24)26-21(18)22(25-3)20(17)27-23/h4-8,13-14H,9-12H2,1-3H3"	CC1(CCC2=CC3=C(C(=C2O1)OC)OC(=O)C=C3CCC4=CC=CC=C4)C	SLCCJFVICRGOKF-UHFFFAOYSA-N
DG54657	2-chloro-4-(1H-indol-3-yl)-1-(2-nitrophenyl)azetidin-3-one	374779	NSC653024; 2-chloro-4-(1H-indol-3-yl)-1-(2-nitrophenyl)azetidin-3-one; CHEMBL2006630; NSC-653024; NCI60_018553; 2-Chloro-1-(2-(hydroxy(oxido)amino)phenyl)-4-(1H-indol-3-yl)-3-azetidinone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653024	.	.	.	.	341.7	C17H12ClN3O3	81.9	526	4.1	24	1	4	2	"InChI=1S/C17H12ClN3O3/c18-17-16(22)15(11-9-19-12-6-2-1-5-10(11)12)20(17)13-7-3-4-8-14(13)21(23)24/h1-9,15,17,19H"	C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=CC=CC=C4[N+](=O)[O-])Cl	FOGCFESHGCMFAM-UHFFFAOYSA-N
DG54658	"2-Chloro-1-(2,4-dichlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone"	374783	"NSC653028; 2-Chloro-1-(2,4-dichlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone; CHEMBL1976211; 2-chloro-1-(2,4-dichlorophenyl)-4-(1H-indol-3-yl)azetidin-3-one; NSC-653028; NCI60_018557"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653028	.	.	.	.	365.6	C17H11Cl3N2O	36.1	477	5.5	23	1	2	2	"InChI=1S/C17H11Cl3N2O/c18-9-5-6-14(12(19)7-9)22-15(16(23)17(22)20)11-8-21-13-4-2-1-3-10(11)13/h1-8,15,17,21H"	C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=C(C=C(C=C4)Cl)Cl)Cl	YDRUBTPXMIELJK-UHFFFAOYSA-N
DG54659	N-[3-chloro-2-(2-hydroxyphenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide	374784	NSC653029; CHEMBL108597; NSC-653029; BDBM50066327; NCI60_018558; N-[3-chloro-2-(2-hydroxyphenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide; N-[3-Chloro-2-(2-hydroxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide; N-[3-Chloro-4-(2-hydroxyphenyl)-2-oxoazetidinyl](2-hydroxyphenyl)carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653029	.	.	.	.	332.74	C16H13ClN2O4	89.9	475	2.7	23	3	4	2	"InChI=1S/C16H13ClN2O4/c17-13-14(9-5-1-3-7-11(9)20)19(16(13)23)18-15(22)10-6-2-4-8-12(10)21/h1-8,13-14,20-21H,(H,18,22)"	C1=CC=C(C(=C1)C2C(C(=O)N2NC(=O)C3=CC=CC=C3O)Cl)O	HSFPEPKEBLETNN-UHFFFAOYSA-N
DG54660	N-[3-Chloro-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide	374792	NSC653037; CHEMBL324662; N-[3-Chloro-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide; BDBM50066315; NSC-653037; NCI60_018566; N-[3-Chloro-4-(3-methoxy-4-hydroxyphenyl)-2-oxoazetidinyl](2-hydroxyphenyl)carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653037	.	.	.	.	362.8	C17H15ClN2O5	99.1	519	2.7	25	3	5	3	"InChI=1S/C17H15ClN2O5/c1-25-13-8-9(6-7-12(13)22)15-14(18)17(24)20(15)19-16(23)10-4-2-3-5-11(10)21/h2-8,14-15,21-22H,1H3,(H,19,23)"	COC1=C(C=CC(=C1)C2C(C(=O)N2NC(=O)C3=CC=CC=C3O)Cl)O	DNIZVVGRQYNGJF-UHFFFAOYSA-N
DG54661	"N-[3-chloro-2-oxo-4-(3,4,5-trimethoxyphenyl)azetidin-1-yl]-2-hydroxy-benzamide"	374794	"NSC653039; CHEMBL109453; BDBM50066292; NSC-653039; NCI60_018568; N-[3-Chloro-2-oxo-4-(3,4,5-trimethoxy-phenyl)-azetidin-1-yl]-2-hydroxy-benzamide; N-[3-chloro-2-oxo-4-(3,4,5-trimethoxyphenyl)azetidin-1-yl]-2-hydroxy-benzamide; N-[3-Chloro-4-(3,4,5-trimethoxyphenyl)-2-oxoazetidinyl](2-hydroxyphenyl)carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653039	.	.	.	.	406.8	C19H19ClN2O6	97.3	565	3	28	2	6	5	"InChI=1S/C19H19ClN2O6/c1-26-13-8-10(9-14(27-2)17(13)28-3)16-15(20)19(25)22(16)21-18(24)11-6-4-5-7-12(11)23/h4-9,15-16,23H,1-3H3,(H,21,24)"	COC1=CC(=CC(=C1OC)OC)C2C(C(=O)N2NC(=O)C3=CC=CC=C3O)Cl	CWANEKNGPVYVPP-UHFFFAOYSA-N
DG54662	"diethyl 5-[5-[3,5-bis(ethoxycarbonyl)-4-propyl-1H-pyrrol-2-yl]-2-thienyl]-3-propyl-1H-pyrrole-2,4-dicarboxylate"	374809	"NSC653146; CHEMBL2006821; ZINC5844590; NSC-653146; NCI60_018584; 1H-Pyrrole-2,4-dicarboxylic acid, 5,5'-(2,5-thienediyl)bis[3-propyl-, tetraethyl ester; 5,5'-(Thiophene-2,5-diyl)bis(3-propyl-1H-pyrrole-2,4-dicarboxylic acid diethyl) ester; diethyl 5-[5-[3,5-bis(ethoxycarbonyl)-4-propyl-1H-pyrrol-2-yl]-2-thienyl]-3-propyl-1H-pyrrole-2,4-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653146	.	.	.	.	586.7	C30H38N2O8S	165	834	6.8	41	2	9	18	"InChI=1S/C30H38N2O8S/c1-7-13-17-21(27(33)37-9-3)25(31-23(17)29(35)39-11-5)19-15-16-20(41-19)26-22(28(34)38-10-4)18(14-8-2)24(32-26)30(36)40-12-6/h15-16,31-32H,7-14H2,1-6H3"	CCCC1=C(NC(=C1C(=O)OCC)C2=CC=C(S2)C3=C(C(=C(N3)C(=O)OCC)CCC)C(=O)OCC)C(=O)OCC	YLZKRVZVFKPNNF-UHFFFAOYSA-N
DG54663	5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)-2-thienyl]-3-propyl-1H-pyrrole-2-carbaldehyde	374810	"NSC653147; CHEMBL1970096; NSC-653147; NCI60_018585; 1H-Pyrrole-2-carboxaldehyde, 5,5'-(2,5-thienediyl)bis[3-propyl-; 5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)-2-thienyl]-3-propyl-1H-pyrrole-2-carbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653147	.	.	.	.	354.5	C20H22N2O2S	94	421	4.8	25	2	3	8	"InChI=1S/C20H22N2O2S/c1-3-5-13-9-15(21-17(13)11-23)19-7-8-20(25-19)16-10-14(6-4-2)18(12-24)22-16/h7-12,21-22H,3-6H2,1-2H3"	CCCC1=C(NC(=C1)C2=CC=C(S2)C3=CC(=C(N3)C=O)CCC)C=O	YAOVSUPVJPZTCX-UHFFFAOYSA-N
DG54664	3-Propyl-5-(5-(4-propyl-1H-pyrrol-2-yl)-2-thienyl)-1H-pyrrole-2-carbaldehyde	374811	NSC653148; 3-Propyl-5-(5-(4-propyl-1H-pyrrol-2-yl)-2-thienyl)-1H-pyrrole-2-carbaldehyde; 3-propyl-5-[5-(4-propyl-1H-pyrrol-2-yl)-2-thienyl]-1H-pyrrole-2-carbaldehyde; CHEMBL1998791; NSC-653148; NCI60_018586	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653148	.	.	.	.	326.5	C19H22N2OS	76.9	392	5	23	2	2	7	"InChI=1S/C19H22N2OS/c1-3-5-13-9-15(20-11-13)18-7-8-19(23-18)16-10-14(6-4-2)17(12-22)21-16/h7-12,20-21H,3-6H2,1-2H3"	CCCC1=CNC(=C1)C2=CC=C(S2)C3=CC(=C(N3)C=O)CCC	RYUBHIJMLGAEOC-UHFFFAOYSA-N
DG54665	"2-(2-(2-(2,4,5-Tris(2-(2-(1,3-dioxolan-2-yl)phenoxy)ethoxy)phenoxy)ethoxy)phenyl)-1,3-dioxolane"	374816	"NSC653153; 2-(2-(2-(2,4,5-Tris(2-(2-(1,3-dioxolan-2-yl)phenoxy)ethoxy)phenoxy)ethoxy)phenyl)-1,3-dioxolane; 2-[2-[2-[2,4,5-tris[2-[2-(1,3-dioxolan-2-yl)phenoxy]ethoxy]phenoxy]ethoxy]phenyl]-1,3-dioxolane; CHEMBL1998269; NSC-653153; NCI60_018591; 1,2,4,5-Tetrakis[2-[2-(1,3-dioxolane-2-yl)phenoxy]ethoxy]benzene; 1,2,4,5-Tetrakis{3-[2-(1,3-dioxolan-2-yl)phenoxy]propoxy}-benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653153	.	.	.	.	911	C50H54O16	148	1130	6.1	66	0	16	24	"InChI=1S/C50H54O16/c1-5-13-39(35(9-1)47-59-25-26-60-47)51-17-21-55-43-33-45(57-23-19-53-41-15-7-3-11-37(41)49-63-29-30-64-49)46(58-24-20-54-42-16-8-4-12-38(42)50-65-31-32-66-50)34-44(43)56-22-18-52-40-14-6-2-10-36(40)48-61-27-28-62-48/h1-16,33-34,47-50H,17-32H2"	C1COC(O1)C2=CC=CC=C2OCCOC3=CC(=C(C=C3OCCOC4=CC=CC=C4C5OCCO5)OCCOC6=CC=CC=C6C7OCCO7)OCCOC8=CC=CC=C8C9OCCO9	JYVTWSAMQLZEKP-UHFFFAOYSA-N
DG54666	Kihadalactone A	374817	Kihadalactone A; NSC653154; NSC-653154; NCI60_018592	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653154	.	.	.	.	512.6	C30H40O7	92	1020	5	37	0	7	5	"InChI=1S/C30H40O7/c1-17(31)35-24-14-23-27(3,4)37-26(33)15-25(36-18(2)32)30(23,7)22-10-12-28(5)20(19-11-13-34-16-19)8-9-21(28)29(22,24)6/h9,11,13,16,20,22-25H,8,10,12,14-15H2,1-7H3/t20 ,22 ,23 ,24 ,25 ,28 ,29-,30+/m0/s1"	CC(=O)OC1CC2[C@@](C3[C@@]1(C4=CCC(C4(CC3)C)C5=COC=C5)C)(C(CC(=O)OC2(C)C)OC(=O)C)C	ONWYJKOVGIGNQN-UOXTVKHISA-N
DG54667	"10-Methyl-2-(3,4,5-trimethoxybenzyl)-10H-phenothiazine-1-carbonitrile"	374832	"NSC653255; 10-Methyl-2-(3,4,5-trimethoxybenzyl)-10H-phenothiazine-1-carbonitrile; CHEMBL1979438; 10-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]phenothiazine-1-carbonitrile; NSC-653255; NCI60_018603; 1-Cyano-2-(3',5'-trimethoxybenzyl)-10-N-methylphenothiazine; 1-Cyano-2-(3',4',5'-trimethoxybenzyl)-10-N-methylphenothiazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653255	.	.	.	.	418.5	C24H22N2O3S	80	611	5.3	30	0	6	5	"InChI=1S/C24H22N2O3S/c1-26-18-7-5-6-8-21(18)30-22-10-9-16(17(14-25)23(22)26)11-15-12-19(27-2)24(29-4)20(13-15)28-3/h5-10,12-13H,11H2,1-4H3"	CN1C2=CC=CC=C2SC3=C1C(=C(C=C3)CC4=CC(=C(C(=C4)OC)OC)OC)C#N	KUWACKAFOGCBMW-UHFFFAOYSA-N
DG54668	[1-(Benzenesulfonyl)indol-3-yl]methyl-triphenylphosphanium;bromide	374836	NSC653263; CHEMBL1965125; NSC-653263	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653263	.	.	.	.	612.5	C33H27BrNO2PS	47.4	801	.	39	0	3	7	"InChI=1S/C33H27NO2PS.BrH/c35-38(36,31-21-11-4-12-22-31)34-25-27(32-23-13-14-24-33(32)34)26-37(28-15-5-1-6-16-28,29-17-7-2-8-18-29)30-19-9-3-10-20-30;/h1-25H,26H2;1H/q+1;/p-1"	C1=CC=C(C=C1)[P+](CC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]	ZOVAYVBIPZYHBN-UHFFFAOYSA-M
DG54669	[1-Benzoyl-2-[(benzylamino)methyl]indol-3-yl]-phenylmethanone	374841	NSC653267; CHEMBL2001719; NSC-653267; NCI60_018611	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653267	.	.	.	.	444.5	C30H24N2O2	51.1	675	5.8	34	1	3	7	"InChI=1S/C30H24N2O2/c33-29(23-14-6-2-7-15-23)28-25-18-10-11-19-26(25)32(30(34)24-16-8-3-9-17-24)27(28)21-31-20-22-12-4-1-5-13-22/h1-19,31H,20-21H2"	C1=CC=C(C=C1)CNCC2=C(C3=CC=CC=C3N2C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5	CKXHBOOZRVVPKN-UHFFFAOYSA-N
DG54670	"Ethyl 2-[benzyl-[(1,3-dibenzoylindol-2-yl)methyl]amino]acetate"	374842	NSC653268; CHEMBL1989835; NSC-653268; NCI60_018612	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653268	.	.	.	.	530.6	C34H30N2O4	68.6	843	6.5	40	0	5	11	"InChI=1S/C34H30N2O4/c1-2-40-31(37)24-35(22-25-14-6-3-7-15-25)23-30-32(33(38)26-16-8-4-9-17-26)28-20-12-13-21-29(28)36(30)34(39)27-18-10-5-11-19-27/h3-21H,2,22-24H2,1H3"	CCOC(=O)CN(CC1=CC=CC=C1)CC2=C(C3=CC=CC=C3N2C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5	VUPBALJRAAUIAB-UHFFFAOYSA-N
DG54671	"2-(1,3-Dibenzoylindol-2-yl)-1-(3,5-dimethoxyphenyl)ethanone"	374844	NSC653270; CHEMBL1989360; NSC-653270; NCI60_018614	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653270	.	.	.	.	503.5	C32H25NO5	74.6	820	6.1	38	0	5	8	"InChI=1S/C32H25NO5/c1-37-24-17-23(18-25(19-24)38-2)29(34)20-28-30(31(35)21-11-5-3-6-12-21)26-15-9-10-16-27(26)33(28)32(36)22-13-7-4-8-14-22/h3-19H,20H2,1-2H3"	COC1=CC(=CC(=C1)C(=O)CC2=C(C3=CC=CC=C3N2C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)OC	WXCVRAYRFWXQHX-UHFFFAOYSA-N
DG54672	(1-Methoxycarbonylindol-2-yl)methyl-triphenylphosphanium;bromide	374850	NSC653276; CHEMBL1997517; NSC-653276	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653276	.	.	.	.	530.4	C29H25BrNO2P	31.2	590	.	34	0	3	6	"InChI=1S/C29H25NO2P.BrH/c1-32-29(31)30-24(21-23-13-11-12-20-28(23)30)22-33(25-14-5-2-6-15-25,26-16-7-3-8-17-26)27-18-9-4-10-19-27;/h2-21H,22H2,1H3;1H/q+1;/p-1"	COC(=O)N1C2=CC=CC=C2C=C1C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]	NDJOEQPJGHYZRI-UHFFFAOYSA-M
DG54673	"3-(1-Adamantylamino)-2-hydroxy-5H-chromeno[3,4-b]pyrazin-5-one"	374858	"NSC653318; CHEMBL1990422; 3-(1-Adamantylamino)-2-hydroxy-5H-chromeno[3,4-b]pyrazin-5-one; NSC-653318; NCI60_018625; 3-(1-adamantylamino)-2-hydroxy-chromeno[3,4-b]pyrazin-5-one; 3-(1-adamantylamino)-1,2-dihydro-5h-chromeno[4,3-b]pyrazine-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653318	.	.	.	.	363.4	C21H21N3O3	79.8	742	3.1	27	2	4	2	"InChI=1S/C21H21N3O3/c25-19-18(24-21-8-11-5-12(9-21)7-13(6-11)10-21)22-17-16(23-19)14-3-1-2-4-15(14)27-20(17)26/h1-4,11-13H,5-10H2,(H,22,24)(H,23,25)"	C1C2CC3CC1CC(C2)(C3)NC4=NC5=C(C6=CC=CC=C6OC5=O)NC4=O	LCRTYFSWUXCOCY-UHFFFAOYSA-N
DG54674	"5-[(4r)-4-(3,4,5-Trimethoxyphenyl)tetrahydro-1h,3h-furo[3,4-c]furan-1-yl]-1,3-benzodioxole"	374872	"Epiaschantin; NSC653384; 41689-50-3; 5-[(6R)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole; 5-[(4r)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1h,3h-furo[3,4-c]furan-1-yl]-1,3-benzodioxole; DTXSID20961902; NSC-653384; NCI60_018635; 5-[4-(3,4,5-Trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2H-1,3-benzodioxole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653384	.	.	.	.	400.4	C22H24O7	64.599	545	2.8	29	0	7	5	"InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3/t14 ,15 ,20 ,21-/m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5	ONDWGDNAFRAXCN-HMRZPLOASA-N
DG54675	.beta-Penta-O-galloyl-D-glucose	374874	".beta-Penta-O-galloyl-D-glucose; NSC653410; 1,2,3,4,6-o-Pentagalloylglucose; penta-O-galloyl-alpha-D-glucopyranose; 1,2,3,4,6-Pentagalloyl glucose; 1,2,3,4,6-Penta-O-galloyl-a-D-glucopyranose; SCHEMBL12129801; SCHEMBL19619912; BDBM420321; 70470-10-9; BCP29751; NSC-653410; LS-15434; NCI60_018637; FT-0699929; 1,2,3,4,6-O-Pentagalloylglucose;beta-penta-O-galloyl-glucose; 1,2,3,4,6-Pentakis-O-(3,4,5-trihydroxybenzoyl)hexopyranose; [(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate; [3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653410	.	.	.	.	940.7	C41H32O26	444	1680	3.6	67	15	26	16	"InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2"	C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O	QJYNZEYHSMRWBK-UHFFFAOYSA-N
DG54676	6-Chloro-9-(12-(6-chloro-9H-purin-9-yl)dodecyl)-9H-purine	374881	NSC653417; 6-Chloro-9-(12-(6-chloro-9H-purin-9-yl)dodecyl)-9H-purine; 6-chloro-9-[12-(6-chloropurin-9-yl)dodecyl]purine; CHEMBL1982434; NSC-653417; NCI60_018644	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653417	.	.	.	.	475.4	C22H28Cl2N8	87.2	498	6.3	32	0	6	13	"InChI=1S/C22H28Cl2N8/c23-19-17-21(27-13-25-19)31(15-29-17)11-9-7-5-3-1-2-4-6-8-10-12-32-16-30-18-20(24)26-14-28-22(18)32/h13-16H,1-12H2"	C1=NC2=C(C(=N1)Cl)N=CN2CCCCCCCCCCCCN3C=NC4=C3N=CN=C4Cl	PMXBDQBVDBOBOZ-UHFFFAOYSA-N
DG54677	2-(4-Fluorophenyl)-2H-isoindole-1-carbonitrile	374886	NSC653422; 2-(4-Fluorophenyl)-2H-isoindole-1-carbonitrile; 2-(4-fluorophenyl)isoindole-1-carbonitrile; CHEMBL1990965; NSC-653422; NCI60_018649	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653422	.	.	.	.	236.24	C15H9FN2	28.7	340	3.7	18	0	2	1	"InChI=1S/C15H9FN2/c16-12-5-7-13(8-6-12)18-10-11-3-1-2-4-14(11)15(18)9-17/h1-8,10H"	C1=CC2=CN(C(=C2C=C1)C#N)C3=CC=C(C=C3)F	AHBXKDRAAPZAMR-UHFFFAOYSA-N
DG54678	"11H-Benzo[g]pyrido[4, 7-[[3-diethylamino) propyl]amino]-10,11-dimethyl-"	374898	"NSC653438; Neuro_000369; CHEMBL418614; SCHEMBL2311166; ZINC1633630; NSC-653438; NCI60_018651; [3-(diethylamino)propylamino]-dimethyl-[ ]ol; 11H-Benzo[g]pyrido[4, 7-[[3-diethylamino) propyl]amino]-10,11-dimethyl-; 11H-Benzo[g]pyrido[4,3-b]indol-4-ol, 7-[[3-diethylamino)propyl]amino]-10,11-dimethyl-; 7-(3-Diethylaminopropylamino)-4-hydroxy-10,11-dimethyl-11H-benzo[g]pyrido[4,3-b]indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653438	.	.	.	.	390.5	C24H30N4O	53.3	527	5	29	2	4	7	"InChI=1S/C24H30N4O/c1-5-28(6-2)14-8-13-25-24-21-19-12-11-17-18(9-7-10-20(17)29)23(19)27(4)22(21)16(3)15-26-24/h7,9-12,15,29H,5-6,8,13-14H2,1-4H3,(H,25,26)"	CCN(CC)CCCNC1=NC=C(C2=C1C3=C(N2C)C4=C(C=C3)C(=CC=C4)O)C	ZGFDERDLOYHFHS-UHFFFAOYSA-N
DG54679	"2-Methoxy-4,4-bis(trifluoromethyl)-1,3,2-benzodioxaphosphepin-5(4H)-one 2-oxide"	374924	"NSC653509; 2-Methoxy-4,4-bis(trifluoromethyl)-1,3,2-benzodioxaphosphepin-5(4H)-one 2-oxide; CHEMBL2007039; NSC-653509; NCI60_018670; 2-methoxy-2-oxo-4,4-bis(trifluoromethyl)-1,3,2$l^{5}-benzodioxaphosphepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653509	.	.	.	.	364.13	C11H7F6O5P	61.8	516	3	23	0	11	1	"InChI=1S/C11H7F6O5P/c1-20-23(19)21-7-5-3-2-4-6(7)8(18)9(22-23,10(12,13)14)11(15,16)17/h2-5H,1H3"	COP1(=O)OC2=CC=CC=C2C(=O)C(O1)(C(F)(F)F)C(F)(F)F	RARJHOZZASATBD-UHFFFAOYSA-N
DG54680	"3-Oxo-2-phenyl-3,5-dihydro-2H-pyrazolo(3,4-d)thieno(2,3-b)pyridine-7-carboxylic acid"	374930	"124031-03-4; NSC653543; MLS003389242; 3-Oxo-2-phenyl-3,5-dihydro-2H-pyrazolo(3,4-d)thieno(2,3-b)pyridine-7-carboxylic acid; 3-Oxo-2-phenyl-3,5-dihydro-2H-pyrazolo[3,4-d]thieno[2,3-b]pyridine-7-carboxylic acid; NSC 653543; CHEMBL3145356; DTXSID50924686; ZINC104216570; NSC-653543; {2H-Pyrazolo[3,4-d]thieno[2,3-b]pyridine-7-carboxylic} acid, 3, 5-dihydro-3-oxo-2-phenyl-, hemihydrate; NCI60_018676; SMR002048899; 3-oxo-2-phenyl-5H-pyrazolo[[ ]]thieno[[ ]]pyridine-7-carboxylic acid; 2H-Pyrazolo[3,3-b]pyridine-7-carboxylic acid, 3,5-dihydro-3-oxo-2-phenyl-, hemihydrate; 2H-Pyrazolo[3,4-d]thieno[2,3-b]pyridine-7-carboxylic acid, 3,5-dihydro-3-oxo-2-phenyl-, hemihydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653543	.	.	.	.	311.3	C15H9N3O3S	111	483	3	22	2	6	2	"InChI=1S/C15H9N3O3S/c19-14-10-7-16-13-9(6-11(22-13)15(20)21)12(10)17-18(14)8-4-2-1-3-5-8/h1-7,17H,(H,20,21)"	C1=CC=C(C=C1)N2C(=O)C3=CN=C4C(=C3N2)C=C(S4)C(=O)O	HBGFUURNRFSZLN-UHFFFAOYSA-N
DG54681	"1,2,9,10-Tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinoline-6-carboxylic acid 2-bromoethyl ester"	374932	"NSC653546; CHEMBL1992558; NSC-653546; NCI60_018678; 1,2,9,10-Tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinoline-6-carboxylic acid 2-bromoethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653546	.	.	.	.	490.3	C23H24BrNO6	66.5	623	4.9	31	0	6	7	"InChI=1S/C23H24BrNO6/c1-27-17-11-14-9-16-20-13(5-7-25(16)23(26)31-8-6-24)10-19(29-3)22(30-4)21(20)15(14)12-18(17)28-2/h9-12H,5-8H2,1-4H3"	COC1=CC2=CC3=C4C(=CC(=C(C4=C2C=C1OC)OC)OC)CCN3C(=O)OCCBr	QZMGFOFUOZRZCK-UHFFFAOYSA-N
DG54682	"[4-(1,3-Dihydropyrrolo[3,4-b]quinoline-2-carbonyl)-2-oxooxolan-3-yl]methyl 2,2-dimethylpropanoate"	374933	NSC653547; CHEMBL1985787; NSC-653547; NCI60_018679	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653547	.	.	.	.	396.4	C22H24N2O5	85.8	673	2	29	0	6	5	"InChI=1S/C22H24N2O5/c1-22(2,3)21(27)29-12-16-15(11-28-20(16)26)19(25)24-9-14-8-13-6-4-5-7-17(13)23-18(14)10-24/h4-8,15-16H,9-12H2,1-3H3"	CC(C)(C)C(=O)OCC1C(COC1=O)C(=O)N2CC3=CC4=CC=CC=C4N=C3C2	CXOSVPBPIYWQCY-UHFFFAOYSA-N
DG54683	"3,6-Bis(diisopropoxyphosphoryl)-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazine"	374954	"NSC653563; CHEMBL1971533; NSC-653563; NCI60_018684; 1,6-di(izo-propoxyphosphoryl)-1,4- dihydro-1,2,4,5-tetrazin; 3,6-bis(diisopropoxyphosphoryl)-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazine; 1,4-Bis(4-nitrophenyl)-3,6-di(izo-propoxyphosphoryl)-1,4- dihydro-1,2,4,5-tetrazin"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653563	.	.	.	.	654.5	C26H36N6O10P2	194	1050	5.1	44	0	12	12	"InChI=1S/C26H36N6O10P2/c1-17(2)39-43(37,40-18(3)4)25-27-30(22-11-15-24(16-12-22)32(35)36)26(44(38,41-19(5)6)42-20(7)8)28-29(25)21-9-13-23(14-10-21)31(33)34/h9-20H,1-8H3"	CC(C)OP(=O)(C1=NN(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C)C3=CC=C(C=C3)[N+](=O)[O-])OC(C)C	CPWAIFJLZBUQRK-UHFFFAOYSA-N
DG54684	"2-[3,3-Dimethoxy-1-(3,4,5-trimethoxyphenyl)propylidene]propanedinitrile"	374956	NSC653614; CHEMBL1974191; NSC-653614; NCI60_018686	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653614	.	.	.	.	332.4	C17H20N2O5	93.7	494	2.3	24	0	7	8	"InChI=1S/C17H20N2O5/c1-20-14-6-11(7-15(21-2)17(14)24-5)13(12(9-18)10-19)8-16(22-3)23-4/h6-7,16H,8H2,1-5H3"	COC1=CC(=CC(=C1OC)OC)C(=C(C#N)C#N)CC(OC)OC	VYFCFUABADUEOI-UHFFFAOYSA-N
DG54685	N'-(Cyano(2-hydroxyphenyl)methyl)-2-phenylacetohydrazide	374997	NSC653823; CHEMBL1994356; N'-(Cyano(2-hydroxyphenyl)methyl)-2-phenylacetohydrazide; NSC-653823; NCI60_018722; N'-[cyano-(2-hydroxyphenyl)methyl]-2-phenyl-acetohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653823	.	.	.	.	281.31	C16H15N3O2	85.2	384	2.6	21	3	4	5	"InChI=1S/C16H15N3O2/c17-11-14(13-8-4-5-9-15(13)20)18-19-16(21)10-12-6-2-1-3-7-12/h1-9,14,18,20H,10H2,(H,19,21)"	C1=CC=C(C=C1)CC(=O)NNC(C#N)C2=CC=CC=C2O	UINAKDNGHDHMFG-UHFFFAOYSA-N
DG54686	N'-(Cyano(2-hydroxy-1-naphthyl)methyl)-2-phenylacetohydrazide	375004	NSC653830; CHEMBL1993790; N'-(Cyano(2-hydroxy-1-naphthyl)methyl)-2-phenylacetohydrazide; NSC-653830; NCI60_018729; N'-[cyano-(2-hydroxy-1-naphthyl)methyl]-2-phenyl-acetohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653830	.	.	.	.	331.4	C20H17N3O2	85.2	494	3.8	25	3	4	5	"InChI=1S/C20H17N3O2/c21-13-17(22-23-19(25)12-14-6-2-1-3-7-14)20-16-9-5-4-8-15(16)10-11-18(20)24/h1-11,17,22,24H,12H2,(H,23,25)"	C1=CC=C(C=C1)CC(=O)NNC(C#N)C2=C(C=CC3=CC=CC=C32)O	YYJNDSBCWFLUBU-UHFFFAOYSA-N
DG54687	N'-(Cyano(phenyl)methyl)-2-hydroxybenzohydrazide	375015	NSC653841; CHEMBL2004852; NSC-653841; NCI60_018740; N'-(Cyano(phenyl)methyl)-2-hydroxybenzohydrazide; N'-[cyano(phenyl)methyl]-2-hydroxy-benzohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653841	.	.	.	.	267.28	C15H13N3O2	85.2	371	2.6	20	3	4	4	"InChI=1S/C15H13N3O2/c16-10-13(11-6-2-1-3-7-11)17-18-15(20)12-8-4-5-9-14(12)19/h1-9,13,17,19H,(H,18,20)"	C1=CC=C(C=C1)C(C#N)NNC(=O)C2=CC=CC=C2O	XFTKNVFYPFAYMY-UHFFFAOYSA-N
DG54688	N'-(Cyano(2-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide	375016	NSC653842; CHEMBL1967910; NSC-653842; NCI60_018741; N'-(Cyano(2-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide; N'-[cyano-(2-hydroxyphenyl)methyl]-2-hydroxy-benzohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653842	.	.	.	.	283.28	C15H13N3O3	105	406	2.8	21	4	5	4	"InChI=1S/C15H13N3O3/c16-9-12(10-5-1-3-7-13(10)19)17-18-15(21)11-6-2-4-8-14(11)20/h1-8,12,17,19-20H,(H,18,21)"	C1=CC=C(C(=C1)C(C#N)NNC(=O)C2=CC=CC=C2O)O	YCJVKSXHYKQCFQ-UHFFFAOYSA-N
DG54689	N'-(Cyano(4-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide	375017	NSC653843; CHEMBL1997200; NSC-653843; NCI60_018742; N'-(Cyano(4-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide; N'-[cyano-(4-hydroxyphenyl)methyl]-2-hydroxy-benzohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653843	.	.	.	.	283.28	C15H13N3O3	105	398	2.3	21	4	5	4	"InChI=1S/C15H13N3O3/c16-9-13(10-5-7-11(19)8-6-10)17-18-15(21)12-3-1-2-4-14(12)20/h1-8,13,17,19-20H,(H,18,21)"	C1=CC=C(C(=C1)C(=O)NNC(C#N)C2=CC=C(C=C2)O)O	NMRCKZYOCFRXEB-UHFFFAOYSA-N
DG54690	N'-(Cyano(3-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide	375018	NSC653844; CHEMBL1965744; NSC-653844; NCI60_018743; N'-(Cyano(3-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide; N'-[cyano-(3-hydroxyphenyl)methyl]-2-hydroxy-benzohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653844	.	.	.	.	283.28	C15H13N3O3	105	406	2.3	21	4	5	4	"InChI=1S/C15H13N3O3/c16-9-13(10-4-3-5-11(19)8-10)17-18-15(21)12-6-1-2-7-14(12)20/h1-8,13,17,19-20H,(H,18,21)"	C1=CC=C(C(=C1)C(=O)NNC(C#N)C2=CC(=CC=C2)O)O	CAWSZEWBPPNLAJ-UHFFFAOYSA-N
DG54691	N'-(Cyano(4-hydroxy-3-methoxyphenyl)methyl)-2-hydroxybenzohydrazide	375019	NSC653845; CHEMBL1996665; N'-(Cyano(4-hydroxy-3-methoxyphenyl)methyl)-2-hydroxybenzohydrazide; NSC-653845; NCI60_018744; N'-[cyano-(4-hydroxy-3-methoxy-phenyl)methyl]-2-hydroxy-benzohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653845	.	.	.	.	313.31	C16H15N3O4	115	450	2.3	23	4	6	5	"InChI=1S/C16H15N3O4/c1-23-15-8-10(6-7-14(15)21)12(9-17)18-19-16(22)11-4-2-3-5-13(11)20/h2-8,12,18,20-21H,1H3,(H,19,22)"	COC1=C(C=CC(=C1)C(C#N)NNC(=O)C2=CC=CC=C2O)O	XCMGBOMIGRLWQB-UHFFFAOYSA-N
DG54692	"N'-[cyano-(3,4-dimethoxyphenyl)methyl]-2-hydroxy-benzohydrazide"	375020	"NSC653846; CHEMBL1973635; NSC-653846; NCI60_018745; Benzoic acid, 2-[(3,4-dimethoxyphenyl)(cyano) methyl]hyrazide; N'-[cyano-(3,4-dimethoxyphenyl)methyl]-2-hydroxy-benzohydrazide; Benzoic acid, 2-hydroxy-, 2-[(3,4-dimethoxyphenyl)(cyano)methyl]hyrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653846	.	.	.	.	327.33	C17H17N3O4	104	464	2.6	24	3	6	6	"InChI=1S/C17H17N3O4/c1-23-15-8-7-11(9-16(15)24-2)13(10-18)19-20-17(22)12-5-3-4-6-14(12)21/h3-9,13,19,21H,1-2H3,(H,20,22)"	COC1=C(C=C(C=C1)C(C#N)NNC(=O)C2=CC=CC=C2O)OC	HVUNESCUNADGQY-UHFFFAOYSA-N
DG54693	N'-(Cyano(2-hydroxy-1-naphthyl)methyl)-2-hydroxybenzohydrazide	375021	NSC653847; CHEMBL1983263; N'-(Cyano(2-hydroxy-1-naphthyl)methyl)-2-hydroxybenzohydrazide; NSC-653847; NCI60_018746; N'-[cyano-(2-hydroxy-1-naphthyl)methyl]-2-hydroxy-benzohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653847	.	.	.	.	333.3	C19H15N3O3	105	517	4.1	25	4	5	4	"InChI=1S/C19H15N3O3/c20-11-15(21-22-19(25)14-7-3-4-8-16(14)23)18-13-6-2-1-5-12(13)9-10-17(18)24/h1-10,15,21,23-24H,(H,22,25)"	C1=CC=C2C(=C1)C=CC(=C2C(C#N)NNC(=O)C3=CC=CC=C3O)O	ZGJPAGJTSAPEGX-UHFFFAOYSA-N
DG54694	"(3-(5,6-Dimethyl-1H-benzimidazol-1-yl)-2-quinoxalinyl)(methylsulfonyl)acetonitrile"	375023	"NSC653849; (3-(5,6-Dimethyl-1H-benzimidazol-1-yl)-2-quinoxalinyl)(methylsulfonyl)acetonitrile; CHEMBL1998676; NSC-653849; NCI60_018748; 2-[3-(5,6-dimethylbenzimidazol-1-yl)quinoxalin-2-yl]-2-methylsulfonyl-acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653849	.	.	.	.	391.4	C20H17N5O2S	110	729	2.6	28	0	6	3	"InChI=1S/C20H17N5O2S/c1-12-8-16-17(9-13(12)2)25(11-22-16)20-19(18(10-21)28(3,26)27)23-14-6-4-5-7-15(14)24-20/h4-9,11,18H,1-3H3"	CC1=CC2=C(C=C1C)N(C=N2)C3=NC4=CC=CC=C4N=C3C(C#N)S(=O)(=O)C	GTDCBXFXPAKOLN-UHFFFAOYSA-N
DG54695	"Indolizino[2,3-b]quinoxaline-12-carbonitrile"	375025	"NSC653851; Indolizino[2,3-b]quinoxaline-12-carbonitrile; CHEMBL1996667; ZINC41617; 12-cyanoindolizino[2,3-b]quinoxaline; NSC-653851; NCI60_018750"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653851	.	.	.	.	244.25	C15H8N4	54	400	3.3	19	0	3	0	InChI=1S/C15H8N4/c16-9-10-13-7-3-4-8-19(13)15-14(10)17-11-5-1-2-6-12(11)18-15/h1-8H	C1=CC=C2C(=C1)N=C3C(=C4C=CC=CN4C3=N2)C#N	JKTDGGGCBWROBV-UHFFFAOYSA-N
DG54696	"Ethyl 12-cyanoindolizino[2,3-b]quinoxaline-2-carboxylate"	375026	"NSC653852; Ethyl 12-cyanoindolizino[2,3-b]quinoxaline-2-carboxylate; CHEMBL2005051; SCHEMBL15289345; NSC-653852; NCI60_018751"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653852	.	.	.	.	316.3	C18H12N4O2	80.3	544	3.5	24	0	5	3	"InChI=1S/C18H12N4O2/c1-2-24-18(23)11-7-8-22-15(9-11)12(10-19)16-17(22)21-14-6-4-3-5-13(14)20-16/h3-9H,2H2,1H3"	CCOC(=O)C1=CC2=C(C3=NC4=CC=CC=C4N=C3N2C=C1)C#N	GRTRAKWBMNSBMA-UHFFFAOYSA-N
DG54697	"14-Bromobenzo[7,8]indolizino[2,3-b]quinoxaline"	375027	"NSC653853; 14-Bromobenzo[7,8]indolizino[2,3-b]quinoxaline; CHEMBL1979236; NSC-653853; NCI60_018752"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653853	.	.	.	.	348.2	C18H10BrN3	30.2	431	5.5	22	0	2	0	InChI=1S/C18H10BrN3/c19-15-16-18(21-14-8-4-3-7-13(14)20-16)22-10-9-11-5-1-2-6-12(11)17(15)22/h1-10H	C1=CC=C2C(=C1)C=CN3C2=C(C4=NC5=CC=CC=C5N=C43)Br	HBLBVUNRKGGUAF-UHFFFAOYSA-N
DG54698	"4-Methylphenyl 6H-quino[2',3':4,5]cyclopenta[1,2-b]quinoxalin-6-yl sulfone"	375029	"NSC653855; 4-Methylphenyl 6H-quino[2',3':4,5]cyclopenta[1,2-b]quinoxalin-6-yl sulfone; CHEMBL1972141; NSC-653855; NCI60_018754; 6-((4-Methylphenyl)sulfonyl)-6H-quino[2',3':4,5]cyclopenta[1,2-b]quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653855	.	.	.	.	423.5	C25H17N3O2S	81.2	759	4.1	31	0	5	2	"InChI=1S/C25H17N3O2S/c1-15-10-12-17(13-11-15)31(29,30)25-23-18(14-16-6-2-3-7-19(16)26-23)22-24(25)28-21-9-5-4-8-20(21)27-22/h2-14,25H,1H3"	CC1=CC=C(C=C1)S(=O)(=O)C2C3=NC4=CC=CC=C4C=C3C5=NC6=CC=CC=C6N=C25	SDMIDEPAICYTQS-UHFFFAOYSA-N
DG54699	"6-((4-Methylphenyl)sulfonyl)-6aH-benzo[5,6]indeno[2,1-b]quinoline-7,12-dione"	375031	"NSC653857; CHEMBL1998209; NSC-653857; 6-((4-Methylphenyl)sulfonyl)-6aH-benzo[5,6]indeno[2,1-b]quinoline-7,12-dione; NCI60_018756"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653857	.	.	.	.	451.5	C27H17NO4S	89	1240	3.4	33	0	5	2	"InChI=1S/C27H17NO4S/c1-15-10-12-17(13-11-15)33(31,32)27-23-22(25(29)18-7-3-4-8-19(18)26(23)30)20-14-16-6-2-5-9-21(16)28-24(20)27/h2-14,23H,1H3"	CC1=CC=C(C=C1)S(=O)(=O)C2=C3C(=C4C2C(=O)C5=CC=CC=C5C4=O)C=C6C=CC=CC6=N3	OBVHXMPLYALSLH-UHFFFAOYSA-N
DG54700	NSC653860	375034	"(5S,5aS)-5-[3-(dimethylamino)propylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one; NSC653860; NSC-653860; NCI60_018759; NCI60_018760"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653860	.	.	.	.	484.5	C26H32N2O7	98.7	725	2.3	35	2	9	8	"InChI=1S/C26H32N2O7/c1-28(2)7-5-6-27-24-16-11-19-18(34-13-35-19)10-15(16)22(23-17(24)12-33-26(23)30)14-8-20(31-3)25(29)21(9-14)32-4/h8-11,17,22-24,27,29H,5-7,12-13H2,1-4H3/t17-,22 ,23 ,24+/m0/s1"	CN(C)CCCN[C@H]1[C@H]2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC	YPFPNLDTVOTTIA-MQFPMGNJSA-N
DG54701	NSC653861	375035	"(5S,5aS)-5-[3-(dimethylamino)propylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride; NSC653861; NSC-653861"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653861	.	.	.	.	521	C26H33ClN2O7	98.7	725	.	36	3	9	8	"InChI=1S/C26H32N2O7.ClH/c1-28(2)7-5-6-27-24-16-11-19-18(34-13-35-19)10-15(16)22(23-17(24)12-33-26(23)30)14-8-20(31-3)25(29)21(9-14)32-4;/h8-11,17,22-24,27,29H,5-7,12-13H2,1-4H3;1H/t17-,22 ,23 ,24+;/m0./s1"	CN(C)CCCN[C@H]1[C@H]2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC.Cl	BWBBLAWXXOKYFG-XXZGRVGKSA-N
DG54702	NSC653862	375036	"diethyl (2R)-2-[[4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoyl]amino]pentanedioate; NSC653862; NSC-653862; NCI60_018761"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653862	.	.	.	.	704.7	C37H40N2O12	177	1210	4.2	51	3	13	15	"InChI=1S/C37H40N2O12/c1-5-47-30(40)12-11-25(36(43)48-6-2)39-35(42)19-7-9-21(10-8-19)38-33-23-16-27-26(50-18-51-27)15-22(23)31(32-24(33)17-49-37(32)44)20-13-28(45-3)34(41)29(14-20)46-4/h7-10,13-16,24-25,31-33,38,41H,5-6,11-12,17-18H2,1-4H3,(H,39,42)/t24-,25+,31 ,32 ,33+/m0/s1"	CCOC(=O)CC[C@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)N[C@H]2[C@H]3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC	WNRMXJFDWZLAJB-GDSDEWBFSA-N
DG54703	NSC653863	375037	"ethyl 4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]piperidine-1-carboxylate; NSC653863; NSC-653863; NCI60_018762; NCI60_018763"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653863	.	.	.	.	554.6	C29H34N2O9	125	900	2.8	40	2	10	7	"InChI=1S/C29H34N2O9/c1-4-37-29(34)31-7-5-16(6-8-31)30-26-18-12-21-20(39-14-40-21)11-17(18)24(25-19(26)13-38-28(25)33)15-9-22(35-2)27(32)23(10-15)36-3/h9-12,16,19,24-26,30,32H,4-8,13-14H2,1-3H3/t19-,24 ,25 ,26+/m0/s1"	CCOC(=O)N1CCC(CC1)N[C@H]2[C@H]3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC	DUMFAXPMUDPKMH-NBXKPWTLSA-N
DG54704	NSC653864	375038	"ethyl 4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]piperidine-1-carboxylate;hydrochloride; NSC653864; NSC-653864"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653864	.	.	.	.	591	C29H35ClN2O9	125	900	.	41	3	10	7	"InChI=1S/C29H34N2O9.ClH/c1-4-37-29(34)31-7-5-16(6-8-31)30-26-18-12-21-20(39-14-40-21)11-17(18)24(25-19(26)13-38-28(25)33)15-9-22(35-2)27(32)23(10-15)36-3;/h9-12,16,19,24-26,30,32H,4-8,13-14H2,1-3H3;1H/t19-,24 ,25 ,26+;/m0./s1"	CCOC(=O)N1CCC(CC1)N[C@H]2[C@H]3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC.Cl	NIFAUZLHLDJVMD-JMJLHCGTSA-N
DG54705	"3-bromo-N-(4-methylphenyl)sulfonyl-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepane-3-carboxamide"	375066	NSC653950; CHEMBL2001458; ZINC1633785; NSC-653950; NCI60_018793	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653950	.	.	.	.	478.3	C11H12BrNO9S3	175	789	1	25	1	9	3	"InChI=1S/C11H12BrNO9S3/c1-8-2-4-9(5-3-8)23(15,16)13-10(14)11(12)24(17,18)21-6-7-22-25(11,19)20/h2-5H,6-7H2,1H3,(H,13,14)"	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2(S(=O)(=O)OCCOS2(=O)=O)Br	HNOGECDIDSCQNM-UHFFFAOYSA-N
DG54706	(3-(Trifluoromethyl)anilino)(2-(trifluoromethyl)phenyl)acetonitrile	375079	NSC654017; (3-(Trifluoromethyl)anilino)(2-(trifluoromethyl)phenyl)acetonitrile; CHEMBL2004010; 2-[3-(trifluoromethyl)anilino]-2-[2-(trifluoromethyl)phenyl]acetonitrile; NSC-654017; NCI60_018806	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654017	.	.	.	.	344.25	C16H10F6N2	35.8	463	5.2	24	1	8	3	"InChI=1S/C16H10F6N2/c17-15(18,19)10-4-3-5-11(8-10)24-14(9-23)12-6-1-2-7-13(12)16(20,21)22/h1-8,14,24H"	C1=CC=C(C(=C1)C(C#N)NC2=CC=CC(=C2)C(F)(F)F)C(F)(F)F	NSTPNFTWKQYQIY-UHFFFAOYSA-N
DG54707	Carnosic acid 12-methyl ether-gamma-lactone	375087	Carnosic acid 12-methyl ether-.gamma.-lactone; NSC654100; CHEMBL1979961; NSC-654100; NCI60_018808	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654100	.	.	.	.	328.4	C21H28O3	35.5	525	5.5	24	0	3	2	"InChI=1S/C21H28O3/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15)16(13)18(17(14)23-5)24-19(21)22/h11-12,15H,6-10H2,1-5H3/t15 ,21-/m1/s1"	CC(C)C1=C(C2=C3C(=C1)CCC4[C@@]3(CCCC4(C)C)C(=O)O2)OC	SRVNMMQHMRWDTR-MZVUKIKXSA-N
DG54708	1-(4aH-Carbazol-9(9aH)-yl)-2-(diphenylamino)ethanone	375090	NSC654103; CHEMBL1971068; NSC-654103; NCI60_018810; 1-(4aH-Carbazol-9(9aH)-yl)-2-(diphenylamino)ethanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654103	.	.	.	.	378.5	C26H22N2O	23.6	611	5.7	29	0	2	4	"InChI=1S/C26H22N2O/c29-26(19-27(20-11-3-1-4-12-20)21-13-5-2-6-14-21)28-24-17-9-7-15-22(24)23-16-8-10-18-25(23)28/h1-18,22,24H,19H2"	C1=CC=C(C=C1)N(CC(=O)N2C3C=CC=CC3C4=CC=CC=C42)C5=CC=CC=C5	HCRSOINTWGKLNB-UHFFFAOYSA-N
DG54709	1-carbazol-9-yl-2-(N-phenylanilino)propan-1-one	375091	NSC654104; CHEMBL1988518; NSC-654104; NCI60_018811	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654104	.	.	.	.	390.5	C27H22N2O	25.2	539	7	30	0	2	4	"InChI=1S/C27H22N2O/c1-20(28(21-12-4-2-5-13-21)22-14-6-3-7-15-22)27(30)29-25-18-10-8-16-23(25)24-17-9-11-19-26(24)29/h2-20H,1H3"	CC(C(=O)N1C2=CC=CC=C2C3=CC=CC=C31)N(C4=CC=CC=C4)C5=CC=CC=C5	XTPHFCYYGGEMIJ-UHFFFAOYSA-N
DG54710	(3-(Vinyloxy)propoxy)benzene	375100	NSC654111; 2-Phenyoxyethyl vinyl ether (PhEVE); (3-(Vinyloxy)propoxy)benzene; 3-vinyloxypropoxybenzene; 1-(Vinyloxy)-3-phenoxypropane; SCHEMBL2468780; CHEMBL2003226; ZINC1633825; NSC-654111; NCI60_018814	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654111	.	.	.	.	178.23	C11H14O2	18.5	128	3.2	13	0	2	6	"InChI=1S/C11H14O2/c1-2-12-9-6-10-13-11-7-4-3-5-8-11/h2-5,7-8H,1,6,9-10H2"	C=COCCCOC1=CC=CC=C1	DWJFYMOGCRXAJA-UHFFFAOYSA-N
DG54711	Thiochroman-4-ol	375102	"Thiochroman-4-ol; 40316-60-7; 3,4-Dihydro-2H-1-benzothiopyran-4-ol; 4-Thiochromanol; 3,4-dihydro-2H-thiochromen-4-ol; NSC654114; 2H-1-Benzothiopyran-4-ol, 3,4-dihydro-; 4-Thiochromanol #; EINECS 254-880-8; 4-hydroxy-thiochroman; NSC 654114; SCHEMBL1478153; CHEMBL1974841; SCHEMBL12657420; DTXSID40960750; AKOS000249165; AKOS017269125; 3,4-dihydro-2H-1-benzothiopyran4-ol; NSC-654114; NCI60_018817; DB-049568; FT-0619523; EN300-60680; Z57085790"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654114	.	.	.	.	166.24	C9H10OS	45.5	138	1.7	11	1	2	0	"InChI=1S/C9H10OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2"	C1CSC2=CC=CC=C2C1O	FWVSZXYNCFXKRT-UHFFFAOYSA-N
DG54712	Isoplumbagin	375105	"Isoplumbagin; 8-hydroxy-2-methylnaphthalene-1,4-dione; 14777-17-4; 5-hydroxy-3-methyl-1,4-naphthoquinone; 8-hydroxy-2-methyl-1,4-dihydronaphthalene-1,4-dione; Naphthsaritone; NSC654206; SCHEMBL4304001; CHEMBL1988478; CHEBI:173524; AKOS006277326; NSC-654206; 2-Methyl-8-hydroxy-1,4-naphthoquinone; NCI60_018820; 8-Hydroxy-2-methyl-1,4-naphthalenedione, 9CI"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654206	.	.	.	.	188.18	C11H8O3	54.4	317	2.3	14	1	3	0	"InChI=1S/C11H8O3/c1-6-5-9(13)7-3-2-4-8(12)10(7)11(6)14/h2-5,12H,1H3"	CC1=CC(=O)C2=C(C1=O)C(=CC=C2)O	ZMOIGGHUSNHCAB-UHFFFAOYSA-N
DG54713	"Azuleno[6,5-b]furan-2,6(3H,4H)-dione, 3a,7,7a,8,9,9a-hexahydro-5,8-dimethyl-3-methylene-"	375107	"NSC654208; CHEMBL1995866; NSC-654208; NCI60_018822; Azuleno[6,6(3H,4H)-dione, 3a,7,7a,8,9,9a-hexahydro-5,8-dimethyl-3-methylene-; Azuleno[6,5-b]furan-2,6(3H,4H)-dione, 3a,7,7a,8,9,9a-hexahydro-5,8-dimethyl-3-methylene-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654208	.	.	.	.	246.3	C15H18O3	43.4	486	1.8	18	0	3	0	"InChI=1S/C15H18O3/c1-7-4-14-12(9(3)15(17)18-14)5-11-8(2)13(16)6-10(7)11/h7,10,12,14H,3-6H2,1-2H3/t7-,10 ,12 ,14 /m0/s1"	C[C@H]1CC2C(CC3=C(C(=O)CC13)C)C(=C)C(=O)O2	UQNONRHPSCIIJO-PYKVZLTGSA-N
DG54714	"1,4-Methanophenanthren-9-ol, 1,4-dihydro-10-methoxy-"	375112	"NSC654235; 1,4-Methanophenanthren-9-ol, 1,4-dihydro-10-methoxy-; CHEMBL1967783; NSC-654235; NCI60_018828"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654235	.	.	.	.	238.28	C16H14O2	29.5	364	3.8	18	1	2	1	"InChI=1S/C16H14O2/c1-18-16-14-10-7-6-9(8-10)13(14)11-4-2-3-5-12(11)15(16)17/h2-7,9-10,17H,8H2,1H3"	COC1=C(C2=CC=CC=C2C3=C1C4CC3C=C4)O	ISTNMYZRHAPWOD-UHFFFAOYSA-N
DG54715	"10-Methoxyphenanthrene-3,9-diol"	375113	"NSC654236; 10-methoxyphenanthrene-3,9-diol; CHEMBL1964756; 10-Methoxy-3,9-phenanthrenediol; NSC-654236; NCI60_018829"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654236	.	.	.	.	240.25	C15H12O3	49.7	294	3.7	18	2	3	1	"InChI=1S/C15H12O3/c1-18-15-12-7-6-9(16)8-13(12)10-4-2-3-5-11(10)14(15)17/h2-8,16-17H,1H3"	COC1=C(C2=CC=CC=C2C3=C1C=CC(=C3)O)O	LKIWGFRRTSOWGE-UHFFFAOYSA-N
DG54716	"(5-Benzyl-3-phenyl-1,2,4-triazin-6-yl)hydrazine"	375115	"NSC654238; (5-benzyl-3-phenyl-1,2,4-triazin-6-yl)hydrazine; CHEMBL1995108; NSC-654238; NCI60_018831; 5-Benzyl-6-hydrazino-3-phenyl-1,2,4-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654238	.	.	.	.	277.32	C16H15N5	76.7	299	2.4	21	2	5	4	"InChI=1S/C16H15N5/c17-19-16-14(11-12-7-3-1-4-8-12)18-15(20-21-16)13-9-5-2-6-10-13/h1-10H,11,17H2,(H,19,21)"	C1=CC=C(C=C1)CC2=C(N=NC(=N2)C3=CC=CC=C3)NN	OUJNAEXHFFDFNF-UHFFFAOYSA-N
DG54717	Glycylaminophenylbenzoylurea (HCl salt)	375119	NSC654259; MLS002701579; Glycylaminophenylbenzoylurea (HCl salt); CHEMBL1897718; CCG-36125; NSC-654259; SMR001565180; 150068-95-4; 2-(2-Aminoacetamido)-N-((4-((5-bromopyrimidin-2-yl)oxy)-3-methylphenyl)carbamoyl)benzamide hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654259	.	.	.	.	535.8	C21H20BrClN6O4	148	660	.	33	5	7	6	"InChI=1S/C21H19BrN6O4.ClH/c1-12-8-14(6-7-17(12)32-21-24-10-13(22)11-25-21)26-20(31)28-19(30)15-4-2-3-5-16(15)27-18(29)9-23;/h2-8,10-11H,9,23H2,1H3,(H,27,29)(H2,26,28,30,31);1H"	CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2NC(=O)CN)OC3=NC=C(C=N3)Br.Cl	ZMRUVPSSBFAZBL-UHFFFAOYSA-N
DG54718	"2-(2-aminopropanamido)-N-(4-(5-bromopyrimidin-2-yloxy)-3-methylphenylcarbamoyl)benzamide, hydrochloride"	375121	"MLS002701580; NSC654260; CHEMBL1895449; NSC-654260; SMR001565181; 2-(2-aminopropanamido)-N-(4-(5-bromopyrimidin-2-yloxy)-3-methylphenylcarbamoyl)benzamide, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654260	.	.	.	.	549.8	C22H22BrClN6O4	148	690	.	34	5	7	6	"InChI=1S/C22H21BrN6O4.ClH/c1-12-9-15(7-8-18(12)33-22-25-10-14(23)11-26-22)27-21(32)29-20(31)16-5-3-4-6-17(16)28-19(30)13(2)24;/h3-11,13H,24H2,1-2H3,(H,28,30)(H2,27,29,31,32);1H"	CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2NC(=O)C(C)N)OC3=NC=C(C=N3)Br.Cl	OFZMGVFPIDGXSA-UHFFFAOYSA-N
DG54719	Dmg amino bpu	375123	"DMG AMINO BPU; MLS002702811; NSC654261; N,N-Dimethylglycylaminophenylbenzoylurea (HCl salt); CHEMBL1899334; NSC-654261; SMR001566640"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654261	.	.	.	.	563.8	C23H24BrClN6O4	126	703	.	35	4	7	7	"InChI=1S/C23H23BrN6O4.ClH/c1-14-10-16(8-9-19(14)34-23-25-11-15(24)12-26-23)27-22(33)29-21(32)17-6-4-5-7-18(17)28-20(31)13-30(2)3;/h4-12H,13H2,1-3H3,(H,28,31)(H2,27,29,32,33);1H"	CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2NC(=O)CN(C)C)OC3=NC=C(C=N3)Br.Cl	YMWJINDBTOCWHA-UHFFFAOYSA-N
DG54720	"Pyrano[2,3-b]carbazol-8-ol, 2,10-dihydro-2,2,7-trimethyl-"	375149	"Pyrayafoline B; NSC654283; Pyrano[2,3-b]carbazol-8-ol, 2,10-dihydro-2,2,7-trimethyl-; 138822-91-0; CHEMBL495872; DTXSID30327414; NSC-654283; NCI60_018847"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654283	.	.	.	.	279.3	C18H17NO2	45.2	447	4.3	21	2	2	0	"InChI=1S/C18H17NO2/c1-10-6-12-13-7-11-4-5-18(2,3)21-17(11)9-15(13)19-14(12)8-16(10)20/h4-9,19-20H,1-3H3"	CC1=CC2=C(C=C1O)NC3=C2C=C4C=CC(OC4=C3)(C)C	RUQHCCGMEXXSBD-UHFFFAOYSA-N
DG54721	1-Methoxy-3-methyl-9H-carbazole	375150	"1-Methoxy-3-methyl-9H-carbazole; 4532-33-6; 1-methoxy-3-methylcarbazole; Murrayafoline A; MFCD18452402; Murrayafolin a; CHEMBL490667; SCHEMBL19127730; DTXSID90327415; ZINC1634346; 1-Methoxy-3-methyl-9H-carbazole #; 6246AB; 9H-Carbazole, 1-methoxy-3-methyl-; NSC654284; MCULE-6197991135; NSC-654284; AC-29647; DS-14611; NCI60_018848; SY042489; DB-111324; CS-0152929; F31078; A872400; NCGC00385438-01!1-methoxy-3-methyl-9H-carbazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654284	.	.	.	.	211.26	C14H13NO	25	255	3.7	16	1	1	1	"InChI=1S/C14H13NO/c1-9-7-11-10-5-3-4-6-12(10)15-14(11)13(8-9)16-2/h3-8,15H,1-2H3"	CC1=CC2=C(C(=C1)OC)NC3=CC=CC=C32	HDETUOZJFUNSKG-UHFFFAOYSA-N
DG54722	"5-(3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl)-2-methylpent-1-en-3-ol"	375155	C23H25NO2; NSC654289; CHEMBL526665; NSC-654289; NCI60_018853	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654289	.	.	.	.	347.4	C23H25NO2	45.2	573	5.6	26	2	2	4	"InChI=1S/C23H25NO2/c1-14(2)20(25)10-12-23(4)11-9-17-21-18(13-15(3)22(17)26-23)16-7-5-6-8-19(16)24-21/h5-9,11,13,20,24-25H,1,10,12H2,2-4H3"	CC1=CC2=C(C3=C1OC(C=C3)(C)CCC(C(=C)C)O)NC4=CC=CC=C42	SMFCNLXOVHSDML-UHFFFAOYSA-N
DG54723	NSC693568	375165	(S)-2-amino-5-(((R)-3-(((4-bromophenyl)(hydroxy)carbamoyl)thio)-1-((carboxymethyl)amino)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid; (S)-2-amino-5-(((R)-3-(((4-bromophenyl)(hydroxy)carbamoyl)thio)-1-((carboxymethyl)amino)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid; 156727-62-7; SCHEMBL3281581; CHEMBL1160349; NSC693568; NSC-693568; NCI60_018871; NCI60_033503	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693568	.	.	.	.	521.299	C17H21BrN4O8S	225	675	-2.6	31	6	10	12	"InChI=1S/C17H21BrN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)"	C1=CC(=CC=C1N(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)Br	IQPLOQWSCZRUCA-UHFFFAOYSA-N
DG54724	5-Azido-2-methyl-6-phenylpyridazin-3(2h)-one	375232	"NSC654622; 5-azido-2-methyl-6-phenylpyridazin-3(2h)-one; CHEMBL1990480; SCHEMBL15716929; NSC-654622; NCI60_018893; 5-azido-2-methyl-6-phenyl-pyridazin-3-one; 2-Methyl-5-azido-6-phenyl-2,3-dihydropyridazine-3-one; 2-Methyl-6-phenyl-5-(2.lambda.~5~-1,2-triazadienyl)-3(2H)-pyridazinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654622	.	.	.	.	227.22	C11H9N5O	47	427	2.6	17	0	4	2	"InChI=1S/C11H9N5O/c1-16-10(17)7-9(13-15-12)11(14-16)8-5-3-2-4-6-8/h2-7H,1H3"	CN1C(=O)C=C(C(=N1)C2=CC=CC=C2)N=[N+]=[N-]	VNQMCTJVKRSPIV-UHFFFAOYSA-N
DG54725	"2-(2-Chloro-4-(4-chlorobenzoyl)phenoxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide"	375239	"NSC654628; CHEMBL1988898; ZINC1634400; NSC-654628; 2-(2-Chloro-4-(4-chlorobenzoyl)phenoxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide; NCI60_018899; 2-[2-chloro-4-(4-chlorobenzoyl)phenoxy]-N-(2,6-dichlorophenyl)-2-methyl-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654628	.	.	.	.	497.2	C23H17Cl4NO3	55.4	628	7.2	31	1	3	6	"InChI=1S/C23H17Cl4NO3/c1-23(2,22(30)28-20-16(25)4-3-5-17(20)26)31-19-11-8-14(12-18(19)27)21(29)13-6-9-15(24)10-7-13/h3-12H,1-2H3,(H,28,30)"	CC(C)(C(=O)NC1=C(C=CC=C1Cl)Cl)OC2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)Cl	LLUOFIFTMAKKFX-UHFFFAOYSA-N
DG54726	"N-(2,6-Dichlorophenyl)-2-methyl-2-((4-oxo-2-phenyl-4H-chromen-7-yl)oxy)propanamide"	375240	"NSC654629; CHEMBL1994294; ZINC1634401; NSC-654629; N-(2,6-Dichlorophenyl)-2-methyl-2-((4-oxo-2-phenyl-4H-chromen-7-yl)oxy)propanamide; NCI60_018900; N-(2,6-dichlorophenyl)-2-methyl-2-(4-oxo-2-phenyl-chromen-7-yl)oxy-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654629	.	.	.	.	468.3	C25H19Cl2NO4	64.599	724	6.7	32	1	4	5	"InChI=1S/C25H19Cl2NO4/c1-25(2,24(30)28-23-18(26)9-6-10-19(23)27)32-16-11-12-17-20(29)14-21(31-22(17)13-16)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,28,30)"	CC(C)(C(=O)NC1=C(C=CC=C1Cl)Cl)OC2=CC3=C(C=C2)C(=O)C=C(O3)C4=CC=CC=C4	OMIUNFVAQHFVKB-UHFFFAOYSA-N
DG54727	"2-((2-(4-Chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide"	375241	"NSC654630; CHEMBL1970303; ZINC1634402; NSC-654630; 2-((2-(4-Chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide; NCI60_018901; 2-[2-(4-chlorophenyl)-4-oxo-chromen-7-yl]oxy-N-(2,6-dichlorophenyl)-2-methyl-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654630	.	.	.	.	502.8	C25H18Cl3NO4	64.599	755	6.5	33	1	4	5	"InChI=1S/C25H18Cl3NO4/c1-25(2,24(31)29-23-18(27)4-3-5-19(23)28)33-16-10-11-17-20(30)13-21(32-22(17)12-16)14-6-8-15(26)9-7-14/h3-13H,1-2H3,(H,29,31)"	CC(C)(C(=O)NC1=C(C=CC=C1Cl)Cl)OC2=CC3=C(C=C2)C(=O)C=C(O3)C4=CC=C(C=C4)Cl	ITFFANOKIFHFKI-UHFFFAOYSA-N
DG54728	NSC654663	375252	"2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-phenylethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide; NSC-654663; CHEMBL1986580; SCHEMBL18047816; NSC654663; NCI60_018912"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654663	.	.	.	.	702	C39H67N5O6	121	1060	5.2	50	2	7	20	"InChI=1S/C39H67N5O6/c1-13-27(6)35(43(10)39(48)33(25(2)3)41-38(47)34(26(4)5)42(8)9)31(49-11)24-32(45)44-23-17-20-30(44)36(50-12)28(7)37(46)40-22-21-29-18-15-14-16-19-29/h14-16,18-19,25-28,30-31,33-36H,13,17,20-24H2,1-12H3,(H,40,46)(H,41,47)/t27-,28+,30-,31+,33 ,34-,35-,36+/m0/s1"	CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)NCCC2=CC=CC=C2)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)[C@H](C(C)C)N(C)C	DZMVCVHATYROOS-CKXIHPEFSA-N
DG54729	"Methyl 2-((2,5-dihydroxybenzyl)amino)benzoate"	375253	"NSC654704; Methyl 2-((2,5-dihydroxybenzyl)amino)benzoate; methyl 2-[(2,5-dihydroxyphenyl)methylamino]benzoate; SCHEMBL6259074; CHEMBL1995267; ZINC1634411; NSC-654704; NCI60_018913"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654704	.	.	.	.	273.28	C15H15NO4	78.8	323	3.1	20	3	5	5	"InChI=1S/C15H15NO4/c1-20-15(19)12-4-2-3-5-13(12)16-9-10-8-11(17)6-7-14(10)18/h2-8,16-18H,9H2,1H3"	COC(=O)C1=CC=CC=C1NCC2=C(C=CC(=C2)O)O	HOYMVLYORHKZIY-UHFFFAOYSA-N
DG54730	"2-(2-(2,6-Dichloroanilino)phenyl)-N-(3-(diethylamino)propyl)acetamide"	375259	"NSC654733; 2-(2-(2,6-Dichloroanilino)phenyl)-N-(3-(diethylamino)propyl)acetamide; 2-[2-(2,6-dichloroanilino)phenyl]-N-[3-(diethylamino)propyl]acetamide; CHEMBL1987885; NSC-654733; NCI60_018925; N-[3-(Diethylamino)propyl]-2-[2-(2,6-dichloroanilino)phenyl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654733	.	.	.	.	408.4	C21H27Cl2N3O	44.4	424	5.3	27	2	3	10	"InChI=1S/C21H27Cl2N3O/c1-3-26(4-2)14-8-13-24-20(27)15-16-9-5-6-12-19(16)25-21-17(22)10-7-11-18(21)23/h5-7,9-12,25H,3-4,8,13-15H2,1-2H3,(H,24,27)"	CCN(CC)CCCNC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl	OYUKOFKURXFZKR-UHFFFAOYSA-N
DG54731	"2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide"	375268	"NSC654785; CHEMBL1989399; ZINC5846241; NSC-654785; 2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide; NCI60_018931; 2-((5-(4-(Acetylamino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-(hydroxy(oxido)amino)phenyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654785	.	.	.	.	413.4	C18H15N5O5S	168	588	2.2	29	2	8	6	"InChI=1S/C18H15N5O5S/c1-11(24)19-13-4-2-12(3-5-13)17-21-22-18(28-17)29-10-16(25)20-14-6-8-15(9-7-14)23(26)27/h2-9H,10H2,1H3,(H,19,24)(H,20,25)"	CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]	YEHYNBIZHYRJDP-UHFFFAOYSA-N
DG54732	"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-(hydroxy(oxido)amino)phenyl)acetamide"	375296	"NSC654813; CHEMBL1990723; ZINC18163686; ZINC104299806; NSC-654813; NCI60_018959; 2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-(hydroxy(oxido)amino)phenyl)acetamide; 2-[[5-[4-[(E)-(4-chlorophenyl)methyleneamino]phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654813	.	.	.	.	493.9	C23H16ClN5O4S	152	702	4.9	34	1	8	7	"InChI=1S/C23H16ClN5O4S/c24-17-5-1-15(2-6-17)13-25-18-7-3-16(4-8-18)22-27-28-23(33-22)34-14-21(30)26-19-9-11-20(12-10-19)29(31)32/h1-13H,14H2,(H,26,30)"	C1=CC(=CC=C1C=NC2=CC=C(C=C2)C3=NN=C(O3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])Cl	FOPAIUJXTZLYQE-UHFFFAOYSA-N
DG54733	"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methoxyphenyl)acetamide"	375303	"NSC654820; CHEMBL1998072; ZINC17888161; ZINC104299850; NSC-654820; 2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methoxyphenyl)acetamide; NCI60_018966; 2-[[5-[4-[(E)-(4-chlorophenyl)methyleneamino]phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654820	.	.	.	.	479	C24H19ClN4O3S	115	633	5.1	33	1	7	8	"InChI=1S/C24H19ClN4O3S/c1-31-21-12-10-20(11-13-21)27-22(30)15-33-24-29-28-23(32-24)17-4-8-19(9-5-17)26-14-16-2-6-18(25)7-3-16/h2-14H,15H2,1H3,(H,27,30)"	COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl	NAVXKXFXBWVMPF-UHFFFAOYSA-N
DG54734	Cambridge id 5133154	375311	"NSC654828; Cambridge id 5133154; SCHEMBL6155272; CHEMBL1992007; MCULE-9172484621; NSC-654828; NCI60_018974; Hexacyclo[10.6.6.0~2,11~.0~4,9~.0~13,18~.0~19,24~]tetracosa-4,6,8,13,15,17,19,21,23-nonaene-3,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654828	.	.	.	.	336.4	C24H16O2	34.1	546	4.2	26	0	2	0	"InChI=1S/C24H16O2/c25-23-17-11-5-6-12-18(17)24(26)22-20-14-8-2-1-7-13(14)19(21(22)23)15-9-3-4-10-16(15)20/h1-12,19-22H"	C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)C6=CC=CC=C6C4=O	UBEKWBZJHSHKCG-UHFFFAOYSA-N
DG54735	4-Amino-4-deoxy-10-ethyl-10-deazapteroyl-gamma-methylene glutamic acid	375312	"NSC654830; CHEMBL308279; 4-Amino-4-deoxy-10-ethyl-10-deazapteroyl-.gamma.-methylene glutamic acid; ANTINEOPLASTIC-D654830; BDBM50010928; NSC-654830; NCI60_018975; N-(4-(1-((2,4-Diamino-6-pteridinyl)methyl)propyl)benzoyl)-4-methyleneglutamic acid; 2-[[4-[1-[(2,4-diaminopteridin-6-yl)methyl]propyl]benzoyl]amino]-4-methylene-pentanedioic acid; 2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-4-methylene-pentanedioic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654830	.	.	.	.	479.5	C23H25N7O5	207	788	1.6	35	5	11	10	"InChI=1S/C23H25N7O5/c1-3-12(9-15-10-26-19-17(27-15)18(24)29-23(25)30-19)13-4-6-14(7-5-13)20(31)28-16(22(34)35)8-11(2)21(32)33/h4-7,10,12,16H,2-3,8-9H2,1H3,(H,28,31)(H,32,33)(H,34,35)(H4,24,25,26,29,30)"	CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CC(=C)C(=O)O)C(=O)O	WABHENAZLPSQIE-UHFFFAOYSA-N
DG54736	"1-(2-(Dimethylamino)ethyl)-3-((4-methylphenyl)sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine"	375328	"NSC654902; 1-(2-(Dimethylamino)ethyl)-3-((4-methylphenyl)sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine; CHEMBL1990351; NSC-654902; NCI60_018986; 1-(2-dimethylaminoethyl)-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-amine; N-(2-(2-Amino-3-((4-methylphenyl)sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl)-N,N-dimethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654902	.	.	.	.	409.5	C21H23N5O2S	103	659	2.8	29	1	6	5	"InChI=1S/C21H23N5O2S/c1-14-8-10-15(11-9-14)29(27,28)19-18-21(26(20(19)22)13-12-25(2)3)24-17-7-5-4-6-16(17)23-18/h4-11H,12-13,22H2,1-3H3"	CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCN(C)C)N	SGIHSIHUTBYNHT-UHFFFAOYSA-N
DG54737	"2-Thiazolidinethione, 4-methyl-3-[(4-methyl-2-thioxo-3-thiazolidinyl)carbonyl]-"	375344	"NSC654968; 2-Thiazolidinethione, 4-methyl-3-[(4-methyl-2-thioxo-3-thiazolidinyl)carbonyl]-; CHEMBL1982706; NSC-654968; NCI60_018998; bis(4-methyl-2-thioxo-thiazolidin-3-yl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654968	.	.	.	.	292.5	C9H12N2OS4	138	327	2.8	16	0	5	0	"InChI=1S/C9H12N2OS4/c1-5-3-15-8(13)10(5)7(12)11-6(2)4-16-9(11)14/h5-6H,3-4H2,1-2H3"	CC1CSC(=S)N1C(=O)N2C(CSC2=S)C	HUOMTFGJVUIQSG-UHFFFAOYSA-N
DG54738	2-[4-(Dimethylamino)phenyl]quinolin-4(1h)-one	375358	CHEMBL15011; NSC654982; 2-(4-Dimethylamino-phenyl)-1H-quinolin-4-one; 2-[4-(dimethylamino)phenyl]quinolin-4(1h)-one; SCHEMBL14104736; ZINC5502598; BDBM50041112; NSC-654982; NCI60_019012	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654982	.	.	.	.	264.32	C17H16N2O	32.299	394	3.3	20	1	3	2	"InChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)16-11-17(20)14-5-3-4-6-15(14)18-16/h3-11H,1-2H3,(H,18,20)"	CN(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3N2	JCICERHEBLRBAF-UHFFFAOYSA-N
DG54739	2-(3-Methoxyphenyl)quinolin-4(1h)-one	375359	CHEMBL276340; NSC654983; 2-(3-methoxyphenyl)quinolin-4(1h)-one; 2-(3-Methoxy-phenyl)-1H-quinolin-4-one; ZINC5503297; BDBM50041113; NSC-654983; NCI60_019013; 2-(3-Methoxyphenyl)quinoline-4(1H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654983	.	.	.	.	251.28	C16H13NO2	38.3	377	3.2	19	1	3	2	"InChI=1S/C16H13NO2/c1-19-12-6-4-5-11(9-12)15-10-16(18)13-7-2-3-8-14(13)17-15/h2-10H,1H3,(H,17,18)"	COC1=CC=CC(=C1)C2=CC(=O)C3=CC=CC=C3N2	NINMRZJWLHKQKT-UHFFFAOYSA-N
DG54740	"2-(3,4,5-Trimethoxy-phenyl)-1H-quinolin-4-one"	375362	"CHEMBL14550; NSC654986; 2-(3,4,5-Trimethoxy-phenyl)-1H-quinolin-4-one; BDBM50041129; NSC-654986; NCI60_019016; 2-(3,4,5-Trimethoxyphenyl)quinoline-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654986	.	.	.	.	311.3	C18H17NO4	56.8	450	3.1	23	1	5	4	"InChI=1S/C18H17NO4/c1-21-16-8-11(9-17(22-2)18(16)23-3)14-10-15(20)12-6-4-5-7-13(12)19-14/h4-10H,1-3H3,(H,19,20)"	COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=CC=CC=C3N2	CEYWUEALBWWZAX-UHFFFAOYSA-N
DG54741	"2-(3-Dimethylamino-phenyl)-6,7-dimethoxy-1H-quinolin-4-one"	375363	"CHEMBL273758; NSC654987; 2-(3-Dimethylamino-phenyl)-6,7-dimethoxy-1H-quinolin-4-one; BDBM50041117; NSC-654987; NCI60_019017"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654987	.	.	.	.	324.4	C19H20N2O3	50.8	491	3.3	24	1	5	4	"InChI=1S/C19H20N2O3/c1-21(2)13-7-5-6-12(8-13)15-10-17(22)14-9-18(23-3)19(24-4)11-16(14)20-15/h5-11H,1-4H3,(H,20,22)"	CN(C)C1=CC=CC(=C1)C2=CC(=O)C3=CC(=C(C=C3N2)OC)OC	PJWSCEXBDGWQOM-UHFFFAOYSA-N
DG54742	"N-[4-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyl]phenyl]acetamide"	375369	"NSC655035; CHEMBL1990047; N-[4-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyl]phenyl]acetamide; N-(5-((4-(Acetylamino)phenyl)sulfonyl)-1,3,4-thiadiazol-2-yl)acetamide; NSC-655035; NCI60_019021"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655035	.	.	.	.	340.4	C12H12N4O4S2	155	526	1.1	22	2	7	4	"InChI=1S/C12H12N4O4S2/c1-7(17)13-9-3-5-10(6-4-9)22(19,20)12-16-15-11(21-12)14-8(2)18/h3-6H,1-2H3,(H,13,17)(H,14,15,18)"	CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C	YSSVVLOGRXTDDC-UHFFFAOYSA-N
DG54743	4-nitro-N-phenylsulfanyl-aniline	375386	NSC655058; 64168-52-1; 4'-nitrobenzenesulfenylanilide; CHEMBL1972375; 4-nitro-N-phenylsulfanyl-aniline; DTXSID30327419; NSC-655058; NCI60_019038; Hydroxy(4-((phenylthio)amino)phenyl)azane oxide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655058	.	.	.	.	246.29	C12H10N2O2S	83.2	243	4.2	17	1	4	3	"InChI=1S/C12H10N2O2S/c15-14(16)11-8-6-10(7-9-11)13-17-12-4-2-1-3-5-12/h1-9,13H"	C1=CC=C(C=C1)SNC2=CC=C(C=C2)[N+](=O)[O-]	ZWORRJVNOUBPPJ-UHFFFAOYSA-N
DG54744	methyl N-methyl-N-[[6-[[methyl(methylsulfanylcarbothioyl)amino]carbamoyl]pyridine-2-carbonyl]amino]carbamodithioate	375401	"NSC655072; Dimethyl 2,2'-(pyridine-2,6-diyldicarbonyl)bis(1-methylhydrazinecarbodithioate); CHEMBL2001519; NSC-655072; methyl N-methyl-N-[[6-[[methyl(methylsulfanylcarbothioyl)amino]carbamoyl]pyridine-2-carbonyl]amino]carbamodithioate; NCI60_019051"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655072	.	.	.	.	403.6	C13H17N5O2S4	192	463	2.5	24	2	7	4	"InChI=1S/C13H17N5O2S4/c1-17(12(21)23-3)15-10(19)8-6-5-7-9(14-8)11(20)16-18(2)13(22)24-4/h5-7H,1-4H3,(H,15,19)(H,16,20)"	CN(C(=S)SC)NC(=O)C1=NC(=CC=C1)C(=O)NN(C)C(=S)SC	OUANBUWDNZXOSX-UHFFFAOYSA-N
DG54745	NSC655094	375408	"Benzyl 2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoate; NSC655094; CHEMBL1968808; NSC-655094; NCI60_019057; benzyl 2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoate; Benzyl 9-benzyl-6,12,15-triisopropyl-2,2,8,11,14-pentamethyl-4,7,10,13-tetraoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-oate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655094	.	.	.	.	694.9	C39H58N4O7	126	1120	7	50	1	7	18	"InChI=1S/C39H58N4O7/c1-25(2)31(40-38(48)50-39(7,8)9)35(45)41(10)30(23-28-19-15-13-16-20-28)34(44)42(11)32(26(3)4)36(46)43(12)33(27(5)6)37(47)49-24-29-21-17-14-18-22-29/h13-22,25-27,30-33H,23-24H2,1-12H3,(H,40,48)"	CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C	BEYZZJDYUHCXFJ-UHFFFAOYSA-N
DG54746	Cycloalkannin	375418	"Cycloalkannin; Cycloshikonin; NSC301457; CHEMBL29163; NSC655105; NSC-301457; NSC-655105; NCI60_002527; NCI60_019068; 2-[(R)-5,5-Dimethyl-2-oxolanyl]-5,8-dihydroxy-1,4-naphthoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655105	.	.	.	.	288.29	C16H16O5	83.8	507	2.6	21	2	5	1	"InChI=1S/C16H16O5/c1-16(2)6-5-12(21-16)8-7-11(19)13-9(17)3-4-10(18)14(13)15(8)20/h3-4,7,12,17-18H,5-6H2,1-2H3/t12-/m1/s1"	CC1(CC[C@@H](O1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O)C	ALRXDRQNAJOPCP-GFCCVEGCSA-N
DG54747	"1-Ethyl-4-hydroxy-3-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimido[4,5-d]pyrimidine-2,5(1H)-dione"	375438	"NSC655161; 1-Ethyl-4-hydroxy-3-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimido[4,5-d]pyrimidine-2,5(1H)-dione; CHEMBL1990013; NSC-655161; NCI60_019088; 1-ethyl-4-hydroxy-3-methyl-4H-pyrido[[ ]]pyrimido[[ ]]pyrimidine-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655161	.	.	.	.	274.28	C13H14N4O3	76.4	617	-0.9	20	1	4	1	"InChI=1S/C13H14N4O3/c1-3-16-10-9(11(18)15(2)13(16)20)12(19)17-7-5-4-6-8(17)14-10/h4-7,11,18H,3H2,1-2H3"	CCN1C2=C(C(N(C1=O)C)O)C(=O)N3C=CC=CC3=N2	IGQOWKHOTIGEPI-UHFFFAOYSA-N
DG54748	"3,3,3',5'-tetraphenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]"	375443	"NSC655166; 3,3,3',5'-tetraphenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]; CHEMBL1990588; STK839136; 3,3',3',5-tetraphenylspiro[1,3,4-thiadiazole-2,1'-2-benzothiophene]; AKOS001588400; MCULE-8545416210; NSC-655166; NCI60_019091; 3,3,3',5'-Tetraphenylspiro[benzo[c]thiophene-1(3H),2'(3'H)-[1,3,4]thiadiazole]; Spiro[benzo[c]thiophene-1(3H),2'(3'H)-[1,3,4]thiadiazole], 3,3,3',5'-tetraphenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655166	.	.	.	.	512.7	C33H24N2S2	66.2	785	9.1	37	0	4	4	"InChI=1S/C33H24N2S2/c1-5-15-25(16-6-1)31-34-35(28-21-11-4-12-22-28)33(36-31)30-24-14-13-23-29(30)32(37-33,26-17-7-2-8-18-26)27-19-9-3-10-20-27/h1-24H"	C1=CC=C(C=C1)C2=NN(C3(S2)C4=CC=CC=C4C(S3)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7	HVPUQUYPZLOXNF-UHFFFAOYSA-N
DG54749	NSC655183	375451	"NSC655183; CHEMBL1966213; NSC-655183; 3,5-Dibromo-2-((4-(2,4-dibromo-6-carboxyphenoxy)-2-(2-(2,4-dibromo-6-carboxyphenoxy)-2-oxoethyl)-4-oxobutanoyl)oxy)benzoic acid; NCI60_019099; Tricarballylic acid tris(2-carboxy-4,6-dibromophenyl) ester; 3,5-dibromo-2-[5-(2,4-dibromo-6-carboxy-phenoxy)-3-(2,4-dibromo-6-carboxy-phenoxy)carbonyl-5-oxo-pentanoyl]oxy-benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655183	.	.	.	.	1009.8	C27H14Br6O12	191	1080	7.1	45	3	12	14	"InChI=1S/C27H14Br6O12/c28-10-3-13(24(36)37)21(16(31)6-10)43-19(34)1-9(27(42)45-23-15(26(40)41)5-12(30)8-18(23)33)2-20(35)44-22-14(25(38)39)4-11(29)7-17(22)32/h3-9H,1-2H2,(H,36,37)(H,38,39)(H,40,41)"	C1=C(C=C(C(=C1C(=O)O)OC(=O)CC(CC(=O)OC2=C(C=C(C=C2Br)Br)C(=O)O)C(=O)OC3=C(C=C(C=C3Br)Br)C(=O)O)Br)Br	ZOWYDMLEWWNBIV-UHFFFAOYSA-N
DG54750	"Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate"	375465	"Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate; 142822-86-4; UNII-M3EJU8X3MA; NSC655249; M3EJU8X3MA; NSC 655249; SCHEMBL9385785; CHEMBL1972312; DTXSID80162195; ZINC1634581; NSC-655249; NCI60_019103; methyl 7,8-diacetoxyisoquinoline-3-carboxylate; 3-Isoquinolinecarboxylic acid,8-bis(acetyloxy)-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655249	.	.	.	.	303.27	C15H13NO6	91.8	451	1.8	22	0	7	6	"InChI=1S/C15H13NO6/c1-8(17)21-13-5-4-10-6-12(15(19)20-3)16-7-11(10)14(13)22-9(2)18/h4-7H,1-3H3"	CC(=O)OC1=C(C2=CN=C(C=C2C=C1)C(=O)OC)OC(=O)C	IPAJXTAZSRNPTR-UHFFFAOYSA-N
DG54751	"1-(2,5,8,11,14,17-Hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-en-1-one"	375484	"NSC655266; 1-(2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)-2-propen-1-one; 4'-Acryloylbenzo-18-crown-6; CHEMBL1984769; NSC-655266; 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-en-1-one; NCI60_019109"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655266	.	.	.	.	366.4	C19H26O7	72.4	401	0.5	26	0	7	2	"InChI=1S/C19H26O7/c1-2-17(20)16-3-4-18-19(15-16)26-14-12-24-10-8-22-6-5-21-7-9-23-11-13-25-18/h2-4,15H,1,5-14H2"	C=CC(=O)C1=CC2=C(C=C1)OCCOCCOCCOCCOCCO2	GFTQASVZKKIMHH-UHFFFAOYSA-N
DG54752	"9-(3-(2-Methyl-1,3-dioxolan-2-yl)phenyl)-1,4-dioxaspiro[4.6]undec-6-en-8-one"	375526	"NSC655305; 9-(3-(2-Methyl-1,3-dioxolan-2-yl)phenyl)-1,4-dioxaspiro[4.6]undec-6-en-8-one; CHEMBL1986028; NSC-655305; 8-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,4-dioxaspiro[4.6]undec-10-en-9-one; NCI60_019148"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655305	.	.	.	.	330.4	C19H22O5	54	502	1.5	24	0	5	2	"InChI=1S/C19H22O5/c1-18(21-9-10-22-18)15-4-2-3-14(13-15)16-5-7-19(8-6-17(16)20)23-11-12-24-19/h2-4,6,8,13,16H,5,7,9-12H2,1H3"	CC1(OCCO1)C2=CC=CC(=C2)C3CCC4(C=CC3=O)OCCO4	SEBJLTAXUNJIRE-UHFFFAOYSA-N
DG54753	"Spiro[benzo[3,4]cyclobuta[1,2]cyclododecene-5(4bH),2'-[1,3]dioxan]-4b-ol, 6,7,8,9,10,11,12,13,14,14a-decahydro-4-methoxy-"	375531	"NSC655310; MLS002701582; CHEMBL1714452; NSC-655310; NCI60_019153; SMR001565183; Spiro[benzo[3,4]cyclobuta[1,2]cyclododecene-5(4bH),2'-[1,3]dioxan]-4b-ol, 6,7,8,9,10,11,12,13,14,14a-decahydro-4-methoxy-; methoxyspiro[1,3-dioxane-2,[ ]-[ ]]ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655310	.	.	.	.	360.5	C22H32O4	47.9	461	3.9	26	1	4	1	"InChI=1S/C22H32O4/c1-24-19-13-9-11-17-18-12-7-5-3-2-4-6-8-14-21(22(18,23)20(17)19)25-15-10-16-26-21/h9,11,13,18,23H,2-8,10,12,14-16H2,1H3"	COC1=CC=CC2=C1C3(C2CCCCCCCCCC34OCCCO4)O	LDXHOTCDKPRQCD-UHFFFAOYSA-N
DG54754	"Spiro[benzo[3,4]cyclobuta[1,2]cyclododecene-5(4bH),2'-[1,3]dioxan]-4b-ol, 6,7,8,9,10,11,12,13,14,14a-decahydro-"	375540	"NSC655319; CHEMBL2002288; NSC-655319; NCI60_019162; Spiro[benzo[3,4]cyclobuta[1,2]cyclododecene-5(4bH),2'-[1,3]dioxan]-4b-ol, 6,7,8,9,10,11,12,13,14,14a-decahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655319	.	.	.	.	330.5	C21H30O3	38.7	417	4.2	24	1	3	0	"InChI=1S/C21H30O3/c22-21-18(17-11-7-8-13-19(17)21)12-6-4-2-1-3-5-9-14-20(21)23-15-10-16-24-20/h7-8,11,13,18,22H,1-6,9-10,12,14-16H2"	C1CCCCC2C3=CC=CC=C3C2(C4(CCCC1)OCCCO4)O	KVLBPWUWERSWBG-UHFFFAOYSA-N
DG54755	"3-(4-Chlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one"	375559	"NSC655347; 3-(4-Chlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one; Oprea1_342803; CHEMBL1971216; NSC-655347; NCI60_019181; 3-(4-chlorophenyl)-2-(1H-indol-3-yl)thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655347	.	.	.	.	328.8	C17H13ClN2OS	61.4	427	4.1	22	1	2	2	"InChI=1S/C17H13ClN2OS/c18-11-5-7-12(8-6-11)20-16(21)10-22-17(20)14-9-19-15-4-2-1-3-13(14)15/h1-9,17,19H,10H2"	C1C(=O)N(C(S1)C2=CNC3=CC=CC=C32)C4=CC=C(C=C4)Cl	QYGYWTAXSUDPBS-UHFFFAOYSA-N
DG54756	"2-(1H-Indol-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one"	375560	"NSC655348; 2-(1H-Indol-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one; CHEMBL1972964; NSC-655348; NCI60_019182; 2-(1H-indol-3-yl)-3-(2-methoxyphenyl)thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655348	.	.	.	.	324.4	C18H16N2O2S	70.6	447	3.5	23	1	3	3	"InChI=1S/C18H16N2O2S/c1-22-16-9-5-4-8-15(16)20-17(21)11-23-18(20)13-10-19-14-7-3-2-6-12(13)14/h2-10,18-19H,11H2,1H3"	COC1=CC=CC=C1N2C(SCC2=O)C3=CNC4=CC=CC=C43	HMJDMMKJDLVKPP-UHFFFAOYSA-N
DG54757	"3-(2,4-Dichlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one"	375565	"NSC655353; 3-(2,4-Dichlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one; CHEMBL1979154; NSC-655353; NCI60_019187; 3-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655353	.	.	.	.	363.3	C17H12Cl2N2OS	61.4	466	4.7	23	1	2	2	"InChI=1S/C17H12Cl2N2OS/c18-10-5-6-15(13(19)7-10)21-16(22)9-23-17(21)12-8-20-14-4-2-1-3-11(12)14/h1-8,17,20H,9H2"	C1C(=O)N(C(S1)C2=CNC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl	ZVOOSKBMTOEWQD-UHFFFAOYSA-N
DG54758	"S-(3-Methyl-2,5-dioxo-3-pyrrolidinyl)cysteine"	375571	"NSC655358; S-(3-Methyl-2,5-dioxo-3-pyrrolidinyl)cysteine; CHEMBL1972674; NSC-655358; NCI60_019191; 2-amino-3-(3-methyl-2,5-dioxo-pyrrolidin-3-yl)sulfanyl-propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655358	.	.	.	.	232.26	C8H12N2O4S	135	320	-3.7	15	3	6	4	"InChI=1S/C8H12N2O4S/c1-8(2-5(11)10-7(8)14)15-3-4(9)6(12)13/h4H,2-3,9H2,1H3,(H,12,13)(H,10,11,14)"	CC1(CC(=O)NC1=O)SCC(C(=O)O)N	UTXWCUTZQFLTQJ-UHFFFAOYSA-N
DG54759	"3-[1-(4-Chloro-phenyl)-2-nitro-ethyl]-3,3a,6-trihydroxy-tetrahydro-furo[3,2-b]furan-2-one"	375573	"NSC655360; 3-[1-(4-Chloro-phenyl)-2-nitro-ethyl]-3,3a,6-trihydroxy-tetrahydro-furo[3,2-b]furan-2-one; CHEMBL1977689; NSC-655360; NCI60_019193; 6-[1-(4-chlorophenyl)-2-nitro-ethyl]-3,6,6a-trihydroxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655360	.	.	.	.	359.71	C14H14ClNO8	142	533	-0.4	24	3	8	3	"InChI=1S/C14H14ClNO8/c15-8-3-1-7(2-4-8)9(5-16(21)22)13(19)12(18)24-11-10(17)6-23-14(11,13)20/h1-4,9-11,17,19-20H,5-6H2"	C1C(C2C(O1)(C(C(=O)O2)(C(C[N+](=O)[O-])C3=CC=C(C=C3)Cl)O)O)O	QMKFYBFLRUQGKY-UHFFFAOYSA-N
DG54760	"2H-1,5-Benzodiazepin-2-one, 7-chloro-5-[[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-1,3,4,5-tetrahydro-4-methyl-"	375586	"NSC655400; 2H-1,5-Benzodiazepin-2-one, 7-chloro-5-[[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-1,3,4,5-tetrahydro-4-methyl-; CHEMBL2001131; NSC-655400; NCI60_019207; 7-chloro-5-[2-[2-(diethylaminomethyl)-1-piperidyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655400	.	.	.	.	421	C22H33ClN4O2	55.9	571	3	29	1	4	6	"InChI=1S/C22H33ClN4O2/c1-4-25(5-2)14-18-8-6-7-11-26(18)15-22(29)27-16(3)12-21(28)24-19-10-9-17(23)13-20(19)27/h9-10,13,16,18H,4-8,11-12,14-15H2,1-3H3,(H,24,28)"	CCN(CC)CC1CCCCN1CC(=O)N2C(CC(=O)NC3=C2C=C(C=C3)Cl)C	JFHMBOHEIJCTAZ-UHFFFAOYSA-N
DG54761	"[2,4'-Bithiazole]-4-carboxylic acid, 2'-[2-(benzoylamino)ethyl]-5'-chloro-, ethyl ester"	375606	"NSC655428; [2,4'-Bithiazole]-4-carboxylic acid, 2'-[2-(benzoylamino)ethyl]-5'-chloro-, ethyl ester; CHEMBL1983037; NSC-655428; NCI60_019222; ethyl 2-[2-(2-benzamidoethyl)-5-chloro-thiazol-4-yl]thiazole-4-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655428	.	.	.	.	421.9	C18H16ClN3O3S2	138	522	4.5	27	1	7	8	"InChI=1S/C18H16ClN3O3S2/c1-2-25-18(24)12-10-26-17(21-12)14-15(19)27-13(22-14)8-9-20-16(23)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,20,23)"	CCOC(=O)C1=CSC(=N1)C2=C(SC(=N2)CCNC(=O)C3=CC=CC=C3)Cl	WFQKJYKRNLIUCT-UHFFFAOYSA-N
DG54762	"[2,4'-Bithiazole]-4-carboxylic acid, 5'-bromo-2'-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, methyl ester"	375608	"NSC655430; [2,4'-Bithiazole]-4-carboxylic acid, 5'-bromo-2'-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, methyl ester; CHEMBL1966450; NSC-655430; NCI60_019224; methyl 2-[5-bromo-2-[2-(tert-butoxycarbonylamino)ethyl]thiazol-4-yl]thiazole-4-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655430	.	.	.	.	448.4	C15H18BrN3O4S2	147	492	3.9	25	1	8	8	"InChI=1S/C15H18BrN3O4S2/c1-15(2,3)23-14(21)17-6-5-9-19-10(11(16)25-9)12-18-8(7-24-12)13(20)22-4/h7H,5-6H2,1-4H3,(H,17,21)"	CC(C)(C)OC(=O)NCCC1=NC(=C(S1)Br)C2=NC(=CS2)C(=O)OC	CLXNTSZJLOGFNQ-UHFFFAOYSA-N
DG54763	Benzyl 2-(dibenzylamino)-3-phenylpropanoate	375616	NSC655438; Benzyl 2-(dibenzylamino)-3-phenylpropanoate; SCHEMBL7438541; AKOS003375804; MCULE-4437963841; N-dibenzyl l-phenylalanine benzyl ester; NSC-655438; NCI60_019232; FT-0666456; benzyl 2-(dibenzylamino)-3-phenyl-propanoate; 2-(Dibenzylamino)-3-phenylpropionic acid benzyl ester; 2-DIBENZYLAMINO-3-PHENYL-PROPIONIC ACID BENZYL ESTER	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655438	.	.	.	.	435.6	C30H29NO2	29.5	520	6.7	33	0	3	11	"InChI=1S/C30H29NO2/c32-30(33-24-28-19-11-4-12-20-28)29(21-25-13-5-1-6-14-25)31(22-26-15-7-2-8-16-26)23-27-17-9-3-10-18-27/h1-20,29H,21-24H2"	C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4	XOAGXYJGAZOTAA-UHFFFAOYSA-N
DG54764	"1,3-Bis(3,5-dimethoxyphenyl)-1,3-propanedione"	375618	"NSC655440; 1,3-Bis(3,5-dimethoxyphenyl)-1,3-propanedione; 1,3-bis(3,5-dimethoxyphenyl)propane-1,3-dione; CHEMBL2002855; NSC-655440; NCI60_019234"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655440	.	.	.	.	344.4	C19H20O6	71.1	387	3	25	0	6	8	"InChI=1S/C19H20O6/c1-22-14-5-12(6-15(9-14)23-2)18(20)11-19(21)13-7-16(24-3)10-17(8-13)25-4/h5-10H,11H2,1-4H3"	COC1=CC(=CC(=C1)C(=O)CC(=O)C2=CC(=CC(=C2)OC)OC)OC	IDUBITABPMAFNI-UHFFFAOYSA-N
DG54765	"2,3,10,11-Tetramethoxy-8-methyl-isoquinolino[2,1-b]isoquinolin-7-ium-13-ol"	375621	"NSC655444; CHEMBL1975543; NSC-655444; 2,3,10,11-Tetramethoxy-8-methyl-7.lambda.~5~-isoquino[3,2-a]isoquinolin-13-ol; 2,3,10,11-tetramethoxy-8-methyl-isoquinolino[2,1-b]isoquinolin-7-ium-13-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655444	.	.	.	.	379.4	C22H21NO5	64.099	533	5.9	28	0	5	4	"InChI=1S/C22H21NO5/c1-12-14-9-18(26-3)20(28-5)11-16(14)22(24)21-15-10-19(27-4)17(25-2)8-13(15)6-7-23(12)21/h6-11H,1-5H3"	CC1=[N+]2C=CC3=CC(=C(C=C3C2=C(C4=CC(=C(C=C14)OC)OC)[O-])OC)OC	KHZNSMOSJYLIKG-UHFFFAOYSA-N
DG54766	"3-Methyl-1,5-dioxido-1,5-naphthyridine-1,5-diium"	375636	"NSC655458; CHEMBL2005310; NSC-655458; NCI60_019251; 3-methyl-1,5-dioxido-1,5-naphthyridine-1,5-diium; 3-Methyl-1.lambda.~5~,5.lambda.~5~-[1,5]naphthyridine-1,5-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655458	.	.	.	.	176.17	C9H8N2O2	46.4	388	-0.1	13	0	3	0	"InChI=1S/C9H8N2O2/c1-7-5-9-8(11(13)6-7)3-2-4-10(9)12/h2-6H,1H3"	CC1=C[N+](=O)C2=CC=CN(C2=C1)[O-]	NAUKDRRGJZDVFL-UHFFFAOYSA-N
DG54767	"5a-(4-Chlorophenyl)-5,5a,6,7-tetrahydro-8H-pyrrolo[2',1':2,3]imidazo[4,5-c]pyridin-8-one"	375660	"NSC655501; 5a-(4-Chlorophenyl)-5,5a,6,7-tetrahydro-8H-pyrrolo[2',1':2,3]imidazo[4,5-c]pyridin-8-one; CHEMBL1989306; NSC-655501; NCI60_019276; 5a-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[[ ]:[ ]]imidazo[[ ]]pyridin-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655501	.	.	.	.	285.73	C15H12ClN3O	45.2	410	2.1	20	1	3	1	"InChI=1S/C15H12ClN3O/c16-11-3-1-10(2-4-11)15-7-5-14(20)19(15)13-9-17-8-6-12(13)18-15/h1-4,6,8-9,18H,5,7H2"	C1CC2(NC3=C(N2C1=O)C=NC=C3)C4=CC=C(C=C4)Cl	SNDMFBBQLKLJOR-UHFFFAOYSA-N
DG54768	"8a-Methyl-7,8,8a,9-tetrahydro-6H-pyrrolo[2,1-f]purin-6-one"	375661	"NSC655502; 8a-Methyl-7,8,8a,9-tetrahydro-6H-pyrrolo[2,1-f]purin-6-one; 5a-methyl-6,7-dihydro-5H-purino[7,8-a]pyrrol-8-one; CHEMBL1995315; NSC-655502; NCI60_019277"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655502	.	.	.	.	190.2	C9H10N4O	58.1	282	0.1	14	1	4	0	"InChI=1S/C9H10N4O/c1-9-3-2-7(14)13(9)6-4-10-5-11-8(6)12-9/h4-5H,2-3H2,1H3,(H,10,11,12)"	CC12CCC(=O)N1C3=CN=CN=C3N2	GERDYGCBXHVJMR-UHFFFAOYSA-N
DG54769	"8a-(4-Chlorophenyl)-7,8,8a,9-tetrahydro-6H-pyrrolo[2,1-f]purin-6-one"	375662	"NSC655503; 8a-(4-Chlorophenyl)-7,8,8a,9-tetrahydro-6H-pyrrolo[2,1-f]purin-6-one; CHEMBL1988315; 5a-(4-chlorophenyl)-6,7-dihydro-5H-purino[7,8-a]pyrrol-8-one; NSC-655503; NCI60_019278"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655503	.	.	.	.	286.71	C14H11ClN4O	58.1	412	1.8	20	1	4	1	"InChI=1S/C14H11ClN4O/c15-10-3-1-9(2-4-10)14-6-5-12(20)19(14)11-7-16-8-17-13(11)18-14/h1-4,7-8H,5-6H2,(H,16,17,18)"	C1CC2(NC3=NC=NC=C3N2C1=O)C4=CC=C(C=C4)Cl	BUJJJDOCEFCTOD-UHFFFAOYSA-N
DG54770	(+)-alpha-Viniferin	375682	"(+)-.alpha.-Viniferin; SCHEMBL2721242; CHEMBL1997745; NSC655524; AKOS032948514; NSC-655524; NCI60_019296; A868528; Q4734921; (2R,3R,10R,11R,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1^{2,5.1^{10,13.0^{21,25.0^{9,27.0^{17,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol; (2S,2aS,7S,7aS,12R,12aR)-2,2a,7,7a,12,12a-Hexahydro-2,7,12-tris(4-hydroxyphenyl)cyclonona[1,2,3-cd:4,5,6-c'd':7,8,9-c''d'']trisbenzofuran-4,9,14-triol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655524	.	.	.	.	678.7	C42H30O9	149	1080	6.8	51	6	9	3	"InChI=1S/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-20/h1-18,37-48H"	C1=CC(=CC=C1C2C3C4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=C3C(=CC(=C1)O)O2)O	KUTVNHOAKHJJFL-UHFFFAOYSA-N
DG54771	[2-(methoxymethyl)-3-(3-quinolin-1-ium-1-ylpropylsulfonylamino)propyl] N-octadecylcarbamate;iodide	375730	SCHEMBL9670278; CHEMBL1979644; NSC655739; NSC-655739	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655739	.	.	.	.	775.9	C36H62IN3O5S	106	822	.	46	2	7	29	"InChI=1S/C36H61N3O5S.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-37-36(40)44-32-33(31-43-2)30-38-45(41,42)29-22-28-39-27-21-24-34-23-18-19-25-35(34)39;/h18-19,21,23-25,27,33,38H,3-17,20,22,26,28-32H2,1-2H3;1H"	CCCCCCCCCCCCCCCCCCNC(=O)OCC(CNS(=O)(=O)CCC[N+]1=CC=CC2=CC=CC=C21)COC.[I-]	UFNAGERDWFMQCH-UHFFFAOYSA-N
DG54772	"4-Benzyl-2-(4-fluorophenyl)pyrazolo[4,3-c]isoquinolin-4-ium-3-ol"	375738	"NSC655762; CHEMBL122567; NSC-655762; 4-benzyl-2-(4-fluorophenyl)pyrazolo[4,3-c]isoquinolin-4-ium-3-ol; 4-Benzyl-2-(4-fluorophenyl)-2H-4.lambda.~5~-pyrazolo[4,3-c]isoquinolin-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655762	.	.	.	.	369.4	C23H16FN3O	44.8	520	6	28	0	3	3	"InChI=1S/C23H16FN3O/c24-18-10-12-19(13-11-18)27-23(28)22-21(25-27)20-9-5-4-8-17(20)15-26(22)14-16-6-2-1-3-7-16/h1-13,15H,14H2"	C1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C4=NN(C(=C42)[O-])C5=CC=C(C=C5)F	UHXUOEXHCXWAEN-UHFFFAOYSA-N
DG54773	NSC655765	375742	"(4bR,12aS)-2-[2-(diethylamino)ethyl]-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione;hydrochloride; NSC655765; CHEMBL2007150; NSC-655765"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655765	.	.	.	.	449	C25H37ClN2O3	49.8	648	.	31	1	4	6	"InChI=1S/C25H36N2O3.ClH/c1-5-26(6-2)13-14-27-23(28)16-22-21-9-7-17-15-18(30-4)8-10-19(17)20(21)11-12-25(22,3)24(27)29;/h8,10,15,20-22H,5-7,9,11-14,16H2,1-4H3;1H/t20 ,21-,22 ,25+;/m1./s1"	CCN(CC)CCN1C(=O)CC2[C@@H]3CCC4=C(C3CC[C@@]2(C1=O)C)C=CC(=C4)OC.Cl	HMKDLZYCODUZFZ-RRISRFGOSA-N
DG54774	"17-Amino-3-methoxy-17-aza-1,5(10)-estratriene-16,17a-dione"	375744	"NSC655766; CHEMBL1977103; NSC-655766; NCI60_019322; 17-Amino-3-methoxy-17-aza-1,5(10)-estratriene-16,17a-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655766	.	.	.	.	328.4	C19H24N2O3	72.6	551	2.3	24	1	4	1	"InChI=1S/C19H24N2O3/c1-19-8-7-14-13-6-4-12(24-2)9-11(13)3-5-15(14)16(19)10-17(22)21(20)18(19)23/h4,6,9,14-16H,3,5,7-8,10,20H2,1-2H3/t14 ,15-,16 ,19+/m1/s1"	C[C@]12CCC3[C@H](C1CC(=O)N(C2=O)N)CCC4=C3C=CC(=C4)OC	KAGWXCAUSLFFEO-DXCLHELWSA-N
DG54775	"11-Ethyl-1H-benzo[a]carbazole-1,4(11H)-dione"	375749	"NSC655896; 11-Ethyl-1H-benzo[a]carbazole-1,4(11H)-dione; 11-ethylbenzo[a]carbazole-1,4-dione; CHEMBL1966495; NSC-655896; NCI60_019326"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655896	.	.	.	.	275.3	C18H13NO2	39.1	497	3.2	21	0	2	1	"InChI=1S/C18H13NO2/c1-2-19-14-6-4-3-5-11(14)12-7-8-13-15(20)9-10-16(21)17(13)18(12)19/h3-10H,2H2,1H3"	CCN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C=CC4=O	XMXDDIRXAZIYCB-UHFFFAOYSA-N
DG54776	"11-(2-Pyridinyl)-1H-benzo[a]carbazole-1,4(11H)-dione"	375750	"NSC655897; 11-(2-Pyridinyl)-1H-benzo[a]carbazole-1,4(11H)-dione; CHEMBL1987333; NSC-655897; NCI60_019327; 11-(2-pyridyl)benzo[a]carbazole-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655897	.	.	.	.	324.3	C21H12N2O2	52	601	3.8	25	0	3	1	InChI=1S/C21H12N2O2/c24-17-10-11-18(25)20-15(17)9-8-14-13-5-1-2-6-16(13)23(21(14)20)19-7-3-4-12-22-19/h1-12H	C1=CC=C2C(=C1)C3=C(N2C4=CC=CC=N4)C5=C(C=C3)C(=O)C=CC5=O	NIXDVAMVVBWQGY-UHFFFAOYSA-N
DG54777	"11-Methyl-2-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione"	375752	"NSC655899; 11-Methyl-2-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione; CHEMBL1997455; NSC-655899; NCI60_019329; 11-methyl-2-phenyl-benzo[a]carbazole-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655899	.	.	.	.	337.4	C23H15NO2	39.1	632	4.5	26	0	2	1	"InChI=1S/C23H15NO2/c1-24-19-10-6-5-9-15(19)16-11-12-17-20(25)13-18(14-7-3-2-4-8-14)23(26)21(17)22(16)24/h2-13H,1H3"	CN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C=C(C4=O)C5=CC=CC=C5	AEUYMLBXPGCLDR-UHFFFAOYSA-N
DG54778	Diphenyl(2-(phenyl(2-(phenylthio)ethyl)phosphino)ethyl)phosphine	375753	NSC655900; CHEMBL1989311; Diphenyl(2-(phenyl(2-(phenylthio)ethyl)phosphino)ethyl)phosphine; ZINC1634942; 2-((2-(Diphenylphosphino)ethyl)(phenyl)phosphino)ethyl phenyl sulfide; diphenyl-[2-[phenyl(2-phenylsulfanylethyl)phosphanyl]ethyl]phosphane; NSC-655900; NCI60_019330	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655900	.	.	.	.	458.5	C28H28P2S	25.3	442	6.5	31	0	1	10	"InChI=1S/C28H28P2S/c1-5-13-25(14-6-1)29(23-24-31-28-19-11-4-12-20-28)21-22-30(26-15-7-2-8-16-26)27-17-9-3-10-18-27/h1-20H,21-24H2"	C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCSC4=CC=CC=C4	LFCOMJNOKDTFKR-UHFFFAOYSA-N
DG54779	"2,3-Bis(dodecanoyloxy)propylarsonic acid"	375754	"NSC655901; NSC655903; 2,3-Bis(dodecanoyloxy)propylarsonic acid; NSC655905; 2,3-di(dodecanoyloxy)propylarsonic acid; CHEMBL2001910; ANTINEOPLASTIC-655901; NSC-655901; NCI60_019331"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655901	.	.	.	.	564.6	C27H53AsO7	110	562	.	35	2	7	27	"InChI=1S/C27H53AsO7/c1-3-5-7-9-11-13-15-17-19-21-26(29)34-24-25(23-28(31,32)33)35-27(30)22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3,(H2,31,32,33)"	CCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCC	JUPMJZZCIZTCGB-UHFFFAOYSA-N
DG54780	"2,3-Bis(octanoyloxy)propylarsonic acid"	375755	"NSC655902; NSC655906; 2,3-Bis(octanoyloxy)propylarsonic acid; NSC655904; 2,3-di(octanoyloxy)propylarsonic acid; CHEMBL2004766; ANTINEOPLASTIC-655902; NSC-655902; NCI60_019332"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655906	.	.	.	.	452.4	C19H37AsO7	110	447	.	27	2	7	19	"InChI=1S/C19H37AsO7/c1-3-5-7-9-11-13-18(21)26-16-17(15-20(23,24)25)27-19(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,23,24,25)"	CCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCC	NZFFRCIIGLCQFO-UHFFFAOYSA-N
DG54781	"2,3-Dimethoxy-6,8-bis(methylsulfanyl)benzo[7]annulene-1,4,7-trione"	375762	NSC655911; CHEMBL2005098; NSC-655911; NCI60_019341	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655911	.	.	.	.	338.4	C15H14O5S2	120	639	2.4	22	0	7	4	"InChI=1S/C15H14O5S2/c1-19-14-11(16)7-5-9(21-3)13(18)10(22-4)6-8(7)12(17)15(14)20-2/h5-6H,1-4H3"	COC1=C(C(=O)C2=C(C1=O)C=C(C(=O)C(=C2)SC)SC)OC	SPLAJGDLMTVLAC-UHFFFAOYSA-N
DG54782	"3-Chloro-5-hydroxy-2-(4-nitrophenyl)naphthalene-1,4-dione"	375827	"NSC656075; 3-chloro-5-hydroxy-2-(4-nitrophenyl)naphthalene-1,4-dione; CHEMBL2006890; NSC-656075; NCI60_019391; 3-Chloro-5-hydroxy-2-(4-(hydroxy(oxido)amino)phenyl)naphthoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656075	.	.	.	.	329.69	C16H8ClNO5	100	574	3.9	23	1	5	1	"InChI=1S/C16H8ClNO5/c17-14-12(8-4-6-9(7-5-8)18(22)23)15(20)10-2-1-3-11(19)13(10)16(14)21/h1-7,19H"	C1=CC2=C(C(=C1)O)C(=O)C(=C(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl	GFJJRPHPSPGQKX-UHFFFAOYSA-N
DG54783	"2-Chloro-5-hydroxy-3-(4-nitrophenyl)naphthalene-1,4-dione"	375828	"NSC656076; 2-chloro-5-hydroxy-3-(4-nitrophenyl)naphthalene-1,4-dione; CHEMBL1981961; NSC-656076; NCI60_019392; 2-Chloro-5-hydroxy-3-(4-(hydroxy(oxido)amino)phenyl)naphthoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656076	.	.	.	.	329.69	C16H8ClNO5	100	574	3.9	23	1	5	1	"InChI=1S/C16H8ClNO5/c17-14-12(8-4-6-9(7-5-8)18(22)23)16(21)13-10(15(14)20)2-1-3-11(13)19/h1-7,19H"	C1=CC2=C(C(=C1)O)C(=O)C(=C(C2=O)Cl)C3=CC=C(C=C3)[N+](=O)[O-]	XKJOEJRULSVHRA-UHFFFAOYSA-N
DG54784	"Dimethyl 8-(3-chlorophenyl)-6,9a-dimethyl-3,4,9,9a-tetrahydro-2H,8H-pyrido[2,1-b][1,3]oxazine-7,9-dicarboxylate"	375832	"NSC656080; Dimethyl 8-(3-chlorophenyl)-6,9a-dimethyl-3,4,9,9a-tetrahydro-2H,8H-pyrido[2,1-b][1,3]oxazine-7,9-dicarboxylate; CHEMBL1984293; NSC-656080; dimethyl 8-(3-chlorophenyl)-6,9a-dimethyl-3,4,8,9-tetrahydro-2H-pyrido[2,1-b][1,3]oxazine-7,9-dicarboxylate; NCI60_019396"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656080	.	.	.	.	393.9	C20H24ClNO5	65.099	636	3.2	27	0	6	5	"InChI=1S/C20H24ClNO5/c1-12-15(18(23)25-3)16(13-7-5-8-14(21)11-13)17(19(24)26-4)20(2)22(12)9-6-10-27-20/h5,7-8,11,16-17H,6,9-10H2,1-4H3"	CC1=C(C(C(C2(N1CCCO2)C)C(=O)OC)C3=CC(=CC=C3)Cl)C(=O)OC	AEIJDYWCBYHIFL-UHFFFAOYSA-N
DG54785	"4-Isopropyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione"	375836	"NSC656084; CHEMBL2004270; 4-Isopropyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione; NSC-656084; NCI60_019400; (5Z)-4-isopropyl-5-methylimino-1,2,4-dithiazolidine-3-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656084	.	.	.	.	206.4	C6H10N2S3	98.3	200	2.1	11	0	4	1	"InChI=1S/C6H10N2S3/c1-4(2)8-5(7-3)10-11-6(8)9/h4H,1-3H3"	CC(C)N1C(=NC)SSC1=S	UGMXQNSDZDWWPU-UHFFFAOYSA-N
DG54786	"6-(3-Amino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	375857	"CHEMBL299305; NSC656155; SCHEMBL8980461; 6-(3-Amino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; BDBM50037453; NSC-656155; NCI60_019419; 6-(3-Aminophenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656155	.	.	.	.	280.28	C16H12N2O3	73.6	464	2.3	21	2	5	1	"InChI=1S/C16H12N2O3/c17-10-3-1-2-9(4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)18-12/h1-7H,8,17H2,(H,18,19)"	C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)N	UOUWLYLXVPBLPW-UHFFFAOYSA-N
DG54787	"6-(3-Methylamino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	375858	"CHEMBL49559; 158598-58-4; NSC656156; Neuro_000374; SCHEMBL8980291; DTXSID20327428; ZINC1635039; BDBM50037459; NSC-656156; NCI60_019420; 1,5-g]quinolin-8(5H)-one, 6-[(3-methylamino)phenyl]-; 6-(3-Methylamino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; 6-[3-(Methylamino)phenyl]-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656156	.	.	.	.	294.3	C17H14N2O3	59.6	479	3	22	2	5	2	"InChI=1S/C17H14N2O3/c1-18-11-4-2-3-10(5-11)13-7-15(20)12-6-16-17(22-9-21-16)8-14(12)19-13/h2-8,18H,9H2,1H3,(H,19,20)"	CNC1=CC=CC(=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4	VOXJCRDGCUAZJE-UHFFFAOYSA-N
DG54788	"6-(3-Hydroxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	375859	"CHEMBL299143; NSC656157; SCHEMBL8980231; 6-(3-Hydroxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; BDBM50037462; NSC-656157; NCI60_019421; 6-(3-Hydroxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656157	.	.	.	.	281.26	C16H11NO4	67.8	463	2.7	21	2	5	1	"InChI=1S/C16H11NO4/c18-10-3-1-2-9(4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)17-12/h1-7,18H,8H2,(H,17,19)"	C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)O	RBWSFAFFIMVTFK-UHFFFAOYSA-N
DG54789	"6-(3-Fluorophenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	375861	"CHEMBL48961; 158598-60-8; NSC656159; Neuro_000376; SCHEMBL8737366; DTXSID90327430; ZINC5580642; BDBM50037457; NSC-656159; NCI60_019423; 1,5-g]quinolin-8(5H)-one, 6-(3-fluorophenyl)-; 6-(3-Fluoro-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; 6-(3-Fluorophenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656159	.	.	.	.	283.25	C16H10FNO3	47.6	466	3.1	21	1	5	1	"InChI=1S/C16H10FNO3/c17-10-3-1-2-9(4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)18-12/h1-7H,8H2,(H,18,19)"	C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)F	DWLFPUBOAWVQJC-UHFFFAOYSA-N
DG54790	"6-(3-Chloro-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	375862	"CHEMBL50809; NSC656160; SCHEMBL8980373; 6-(3-Chloro-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; BDBM50037454; NSC-656160; NCI60_019424; 6-(3-Chlorophenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656160	.	.	.	.	299.71	C16H10ClNO3	47.6	466	3.6	21	1	4	1	"InChI=1S/C16H10ClNO3/c17-10-3-1-2-9(4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)18-12/h1-7H,8H2,(H,18,19)"	C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)Cl	QYBIINRTOPKRQH-UHFFFAOYSA-N
DG54791	"6-pyridin-3-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	375864	NSC656162; CHEMBL2000235; NSC-656162; NCI60_019426	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656162	.	.	.	.	266.25	C15H10N2O3	60.4	437	1.9	20	1	5	1	"InChI=1S/C15H10N2O3/c18-13-5-11(9-2-1-3-16-7-9)17-12-6-15-14(4-10(12)13)19-8-20-15/h1-7H,8H2,(H,17,18)"	C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CN=CC=C4	TWZOXLYMSUEJJR-UHFFFAOYSA-N
DG54792	"N~2~-((4-Chloro(methyl)anilino)methyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine"	375874	"NSC656189; CHEMBL1987181; NSC-656189; NCI60_019435; N~2~-((4-Chloro(methyl)anilino)methyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine; N4-[(4-chloro-N-methyl-anilino)methyl]-N2,N2,N4,N6,N6-pentamethyl-1,3,5-triazine-2,4,6-triamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656189	.	.	.	.	349.9	C16H24ClN7	51.6	357	3.9	24	0	7	6	"InChI=1S/C16H24ClN7/c1-21(2)14-18-15(22(3)4)20-16(19-14)24(6)11-23(5)13-9-7-12(17)8-10-13/h7-10H,11H2,1-6H3"	CN(C)C1=NC(=NC(=N1)N(C)CN(C)C2=CC=C(C=C2)Cl)N(C)C	BDVIETWBFAUONM-UHFFFAOYSA-N
DG54793	"N',N'-dimethyl-N-(8-nitroquinolin-4-yl)propane-1,3-diamine;hydrochloride"	375875	NSC656190; CHEMBL1978375; NSC-656190	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656190	.	.	.	.	310.78	C14H19ClN4O2	74	319	.	21	2	5	5	"InChI=1S/C14H18N4O2.ClH/c1-17(2)10-4-8-15-12-7-9-16-14-11(12)5-3-6-13(14)18(19)20;/h3,5-7,9H,4,8,10H2,1-2H3,(H,15,16);1H"	CN(C)CCCNC1=C2C=CC=C(C2=NC=C1)[N+](=O)[O-].Cl	NNSVDSVHKMXIHG-UHFFFAOYSA-N
DG54794	"1,4-Naphthalenedione, 6,7-dichloro-5,8-dimethoxy-"	375894	"6,7-Dichloro-5,8-dimethoxy-1,4-naphthoquinone; 1,4-naphthalenedione, 6,7-dichloro-5,8-dimethoxy-; NSC656207; CHEMBL130758; NSC-656207; 51783-53-0; NCI60_019449"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656207	.	.	.	.	287.09	C12H8Cl2O4	52.6	360	2.6	18	0	4	2	"InChI=1S/C12H8Cl2O4/c1-17-11-7-5(15)3-4-6(16)8(7)12(18-2)10(14)9(11)13/h3-4H,1-2H3"	COC1=C(C(=C(C2=C1C(=O)C=CC2=O)OC)Cl)Cl	FCDAWNBJZQLHPH-UHFFFAOYSA-N
DG54795	"2,3-Dichloro-5,8-dimethoxy-1,4-naphthoquinone"	375895	"2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone; 2,3-dichloro-5,8-dimethoxynaphthalene-1,4-dione; MLS001030189; SMR000425588; 2,3-Dichloro-5,8-dimethoxy-[1,4]naphthoquinone; 1,4-Naphthalenedione, 2,3-dichloro-5,8-dimethoxy-; NSC656208; CHEMBL131037; cid_375895; SCHEMBL14662869; BDBM50605; STL323102; AKOS022118200; MCULE-2639698142; NSC-656208; 36528-53-7; NCI60_019450; 2,3-bis(chloranyl)-5,8-dimethoxy-naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656208	.	.	.	.	287.09	C12H8Cl2O4	52.6	380	3.1	18	0	4	2	"InChI=1S/C12H8Cl2O4/c1-17-5-3-4-6(18-2)8-7(5)11(15)9(13)10(14)12(8)16/h3-4H,1-2H3"	COC1=C2C(=C(C=C1)OC)C(=O)C(=C(C2=O)Cl)Cl	DRGCWMGLVXZPIZ-UHFFFAOYSA-N
DG54796	"6-Chloro-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;hydrochloride"	375896	NSC656209; CHEMBL1981362; NSC-656209	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656209	.	.	.	.	433.3	C18H22Cl2N2O6	111	580	.	28	4	8	6	"InChI=1S/C18H21ClN2O6.ClH/c19-15-16(21-5-3-20(4-6-21)7-9-27-10-8-22)18(26)14-12(24)2-1-11(23)13(14)17(15)25;/h1-2,22,25-26H,3-10H2;1H"	C1CN(CCN1CCOCCO)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O.Cl	BQXVHFNAIWSUBW-UHFFFAOYSA-N
DG54797	"6-Chloro-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione"	375897	NSC660638; CHEMBL1980083; NSC-660638; NCI60_019451; NCI60_021162	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660638	.	.	.	.	396.8	C18H21ClN2O6	111	580	1.6	27	3	8	6	"InChI=1S/C18H21ClN2O6/c19-15-16(21-5-3-20(4-6-21)7-9-27-10-8-22)18(26)14-12(24)2-1-11(23)13(14)17(15)25/h1-2,22,25-26H,3-10H2"	C1CN(CCN1CCOCCO)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O	WLAGCDRCPWEGRL-UHFFFAOYSA-N
DG54798	"2-Chloro-3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;hydrochloride"	375898	NSC656210; CHEMBL1994758; NSC-656210	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656210	.	.	.	.	401.3	C18H22Cl2N2O4	70.1	543	.	26	2	6	6	"InChI=1S/C18H21ClN2O4.ClH/c19-15-16(18(24)14-4-2-1-3-13(14)17(15)23)21-7-5-20(6-8-21)9-11-25-12-10-22;/h1-4,22H,5-12H2;1H"	C1CN(CCN1CCOCCO)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl.Cl	OIXIJBDUQBAVJZ-UHFFFAOYSA-N
DG54799	"2',6'-dibromo-2-(methoxymethyl)spiro[7,8-dihydro-6H-thieno[3,2-g]quinoline-5,4'-cyclohexa-2,5-diene]-1',4,9-trione"	375900	NSC656211; CHEMBL1997365; NSC-656211; NCI60_019453	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656211	.	.	.	.	499.2	C18H13Br2NO4S	101	794	3.9	26	1	6	2	"InChI=1S/C18H13Br2NO4S/c1-25-7-8-4-9-14(22)12-13(16(24)17(9)26-8)21-3-2-18(12)5-10(19)15(23)11(20)6-18/h4-6,21H,2-3,7H2,1H3"	COCC1=CC2=C(S1)C(=O)C3=C(C2=O)C4(CCN3)C=C(C(=O)C(=C4)Br)Br	CUYILCDOWFOPRK-UHFFFAOYSA-N
DG54800	"2-Methyl-4,2-b:5,4-b']dithiophene-4,8-dione"	375901	"NSC656238; CHEMBL1990520; SCHEMBL14294471; NSC-656238; NCI60_019454; 2-Methyl-4,2-b:5,4-b']dithiophene-4,8-dione; 2-methyl-4,8-dihydrobenzo [1,2-b:5,4-b']dithiophene-4,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656238	.	.	.	.	234.3	C11H6O2S2	90.6	329	3.3	15	0	4	0	"InChI=1S/C11H6O2S2/c1-5-4-7-8(12)6-2-3-14-10(6)9(13)11(7)15-5/h2-4H,1H3"	CC1=CC2=C(S1)C(=O)C3=C(C2=O)C=CS3	IAAALXHIXSGPCF-UHFFFAOYSA-N
DG54801	"4,8-Dioxothieno[3,2-f][1]benzothiole-2-carbaldehyde"	375902	"239100-02-8; NSC656239; 4,8-dioxothieno[3,2-f][1]benzothiole-2-carbaldehyde; NCIChal_000018; Neuro_000378; CHEMBL2003125; DTXSID10327432; ZINC1635067; CCG-36215; NSC-656239; NCI60_019455; Benzo[1,4-b']dithiophene-2-carboxaldehyde, 4,8-dioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656239	.	.	.	.	248.3	C11H4O3S2	108	368	2.7	16	0	5	1	InChI=1S/C11H4O3S2/c12-4-5-3-7-8(13)6-1-2-15-10(6)9(14)11(7)16-5/h1-4H	C1=CSC2=C1C(=O)C3=C(C2=O)SC(=C3)C=O	BNSGSFPTSNIIMM-UHFFFAOYSA-N
DG54802	"2-(Hydroxymethyl)benzo[1,2-b:5,4-b']bisthiophene-4,8-dione"	375903	"239100-03-9; NSC656240; 2-(hydroxymethyl)benzo[1,2-b:5,4-b']bisthiophene-4,8-dione; CHEMBL241065; SCHEMBL14269097; DTXSID70327433; NSC-656240; NCI60_019456; 2-Hydroxymethyl-4,2-b:5,4-b']dithiophene-4,8-dione; 2-hydroxymethyl-4,8-dihydrobenzo [1,2-b:5,4-b']dithiophene-4,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656240	.	.	.	.	250.3	C11H6O3S2	111	344	2	16	1	5	1	"InChI=1S/C11H6O3S2/c12-4-5-3-7-8(13)6-1-2-15-10(6)9(14)11(7)16-5/h1-3,12H,4H2"	C1=CSC2=C1C(=O)C3=C(C2=O)SC(=C3)CO	TWAZIKADPMNERA-UHFFFAOYSA-N
DG54803	"(4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate"	375904	"(4,8-dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate; NSC656241; CHEMBL1991042; DTXSID30327434; ZINC1635068; AKOS015896323; NSC-656241; NCI60_019457; FT-0659798; Acetic acid,8-dioxobenzo[1,2-b:5,4-b']dithiophene- 2-yl)methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656241	.	.	.	.	292.3	C13H8O4S2	117	436	2.6	19	0	6	3	"InChI=1S/C13H8O4S2/c1-6(14)17-5-7-4-9-10(15)8-2-3-18-12(8)11(16)13(9)19-7/h2-4H,5H2,1H3"	CC(=O)OCC1=CC2=C(S1)C(=O)C3=C(C2=O)C=CS3	XMLWMBFZLBAVFQ-UHFFFAOYSA-N
DG54804	"2-(Chloromethyl)thieno[2,3-f][1]benzothiole-4,8-dione"	375905	NSC656242; CHEMBL1999363; NSC-656242; NCI60_019458	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656242	.	.	.	.	268.7	C11H5ClO2S2	90.6	347	3.3	16	0	4	1	"InChI=1S/C11H5ClO2S2/c12-4-5-3-7-9(14)10-6(1-2-15-10)8(13)11(7)16-5/h1-3H,4H2"	C1=CSC2=C1C(=O)C3=C(C2=O)C=C(S3)CCl	XXJGOZZVSHFCRQ-UHFFFAOYSA-N
DG54805	"Benzo[1,4-b']dithiophene-2-carboxylic acid, 4,8-dioxo-"	375906	"NSC656243; NCIMech_000478; CHEMBL395944; SCHEMBL5746932; ZINC1635070; NSC-656243; NCI60_019459; Benzo[1,4-b']dithiophene-2-carboxylic acid, 4,8-dioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656243	.	.	.	.	264.3	C11H4O4S2	128	408	2.8	17	1	6	1	"InChI=1S/C11H4O4S2/c12-7-4-1-2-16-9(4)8(13)10-5(7)3-6(17-10)11(14)15/h1-3H,(H,14,15)"	C1=CSC2=C1C(=O)C3=C(C2=O)SC(=C3)C(=O)O	WTAUYWUADNKEOY-UHFFFAOYSA-N
DG54806	"Benzo[1,4-b']dithiophene-4,8-dione, 3-methyl-"	375907	"NSC656244; CHEMBL1983540; ZINC1635071; NSC-656244; NCI60_019460; Benzo[1,4-b']dithiophene-4,8-dione, 3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656244	.	.	.	.	234.3	C11H6O2S2	90.6	329	3.3	15	0	4	0	"InChI=1S/C11H6O2S2/c1-5-4-15-11-7(5)8(12)6-2-3-14-10(6)9(11)13/h2-4H,1H3"	CC1=CSC2=C1C(=O)C3=C(C2=O)SC=C3	VCOYOLYOUCACDJ-UHFFFAOYSA-N
DG54807	"5,7-Difluoro-2-phenylquinolin-4-ol"	375908	"5,7-difluoro-2-phenylquinolin-4-ol; 220598-55-0; NSC656245; 5,7-Difluoro-4-hydroxy-2-phenylquinoline; CHEMBL2005409; DTXSID90327435; MFCD12675080; NSC-656245; NCI60_019461"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656245	.	.	.	.	257.23	C15H9F2NO	29.1	390	3.4	19	1	4	1	"InChI=1S/C15H9F2NO/c16-10-6-11(17)15-13(7-10)18-12(8-14(15)19)9-4-2-1-3-5-9/h1-8H,(H,18,19)"	C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=C(C=C3F)F	MCRQMTJKYFYOOH-UHFFFAOYSA-N
DG54808	"5,7-Dichloro-2-phenylquinolin-4-ol"	375913	"5,7-dichloro-2-phenylquinolin-4-ol; 1070879-77-4; NSC656250; CHEMBL1997369; DTXSID50327436; MFCD11505240; 5,7-Dichloro-2-phenyl-4-quinolinol; NSC-656250; NCI60_019466; 5,7-Dichloro-4-hydroxy-2-phenylquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656250	.	.	.	.	290.1	C15H9Cl2NO	29.1	390	4.4	19	1	2	1	"InChI=1S/C15H9Cl2NO/c16-10-6-11(17)15-13(7-10)18-12(8-14(15)19)9-4-2-1-3-5-9/h1-8H,(H,18,19)"	C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=C(C=C3Cl)Cl	ADDCHPPUBPELLX-UHFFFAOYSA-N
DG54809	"[4,5-Diacetoxy-6-[5-cyano-2-ethylsulfanyl-4-(4-methoxyphenyl)-6-oxo-pyrimidin-1-yl]tetrahydropyran-3-yl] acetate"	375923	"NSC656261; CHEMBL1999251; NSC-656261; NCI60_019477; [4,5-diacetoxy-6-[5-cyano-2-ethylsulfanyl-4-(4-methoxyphenyl)-6-oxo-pyrimidin-1-yl]tetrahydropyran-3-yl] acetate; 5-Pyrimidinecarbonitrile, 2-(ethylthio)-1,6-dihydro-4-(4-methoxyphenyl)-6-oxo-1-(2,3,4-tri-O-acetylpentopyranosyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656261	.	.	.	.	545.6	C25H27N3O9S	179	1060	2	38	0	12	11	"InChI=1S/C25H27N3O9S/c1-6-38-25-27-20(16-7-9-17(33-5)10-8-16)18(11-26)23(32)28(25)24-22(37-15(4)31)21(36-14(3)30)19(12-34-24)35-13(2)29/h7-10,19,21-22,24H,6,12H2,1-5H3"	CCSC1=NC(=C(C(=O)N1C2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C3=CC=C(C=C3)OC	FRIGTTJRMDPZHE-UHFFFAOYSA-N
DG54810	"n,n,n-Trimethyl(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)methanaminium iodide"	375929	"71666-51-8; NSC656280; n,n,n-trimethyl(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)methanaminium iodide; SCHEMBL9133212; CHEMBL1983281; DTXSID90992263; NSC-656280; 2-Naphthalenemethanaminium,2,3,4-tetrahydro-N,N,N-trimethyl-1-oxo-, iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656280	.	.	.	.	345.22	C14H20INO	17.1	266	.	17	0	2	2	"InChI=1S/C14H20NO.HI/c1-15(2,3)10-12-9-8-11-6-4-5-7-13(11)14(12)16;/h4-7,12H,8-10H2,1-3H3;1H/q+1;/p-1"	C[N+](C)(C)CC1CCC2=CC=CC=C2C1=O.[I-]	BPERJTVPTVXRSE-UHFFFAOYSA-M
DG54811	(6-Methoxydioxan-3-yl)methanol	375966	"NSC656320; (6-methoxydioxan-3-yl)methanol; (6-Methoxy-1,2-dioxan-3-yl)methanol; CHEMBL160517; NSC-656320; NCI60_019488"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656320	.	.	.	.	148.16	C6H12O4	47.9	95.7	0	10	1	4	2	"InChI=1S/C6H12O4/c1-8-6-3-2-5(4-7)9-10-6/h5-7H,2-4H2,1H3"	COC1CCC(OO1)CO	UJEPSCABKOAZNW-UHFFFAOYSA-N
DG54812	"4-(dipropylamino)-N,N-dimethyl-3,5-dinitrobenzamide"	375967	NSC656324; CHEMBL1970093; NSC-656324; NCI60_019489	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656324	.	.	.	.	338.36	C15H22N4O5	115	430	3	24	0	6	6	"InChI=1S/C15H22N4O5/c1-5-7-17(8-6-2)14-12(18(21)22)9-11(15(20)16(3)4)10-13(14)19(23)24/h9-10H,5-8H2,1-4H3"	CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)N(C)C)[N+](=O)[O-]	ZCCOQPMTSNHWQW-UHFFFAOYSA-N
DG54813	"2-((3-Phenyl-5-(2-pyrazinyl)-1H-1,2,4-triazol-1-yl)methoxy)ethanol"	375971	"NSC656337; 2-((3-Phenyl-5-(2-pyrazinyl)-1H-1,2,4-triazol-1-yl)methoxy)ethanol; CHEMBL1981542; 2-[(3-phenyl-5-pyrazin-2-yl-1,2,4-triazol-1-yl)methoxy]ethanol; NSC-656337; NCI60_019491"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656337	.	.	.	.	297.31	C15H15N5O2	86	327	0.4	22	1	6	6	"InChI=1S/C15H15N5O2/c21-8-9-22-11-20-15(13-10-16-6-7-17-13)18-14(19-20)12-4-2-1-3-5-12/h1-7,10,21H,8-9,11H2"	C1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)COCCO	NLVPWMWFABYVAA-UHFFFAOYSA-N
DG54814	"2-(1-Benzyl-3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl)pyrazine"	375974	"NSC656340; 2-(1-Benzyl-3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl)pyrazine; CHEMBL2004223; NSC-656340; NCI60_019494; 2-[2-benzyl-5-(m-tolyl)-1,2,4-triazol-3-yl]pyrazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656340	.	.	.	.	327.4	C20H17N5	56.5	411	3.2	25	0	4	4	"InChI=1S/C20H17N5/c1-15-6-5-9-17(12-15)19-23-20(18-13-21-10-11-22-18)25(24-19)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3"	CC1=CC(=CC=C1)C2=NN(C(=N2)C3=NC=CN=C3)CC4=CC=CC=C4	OLUAWZPBTHYHRH-UHFFFAOYSA-N
DG54815	"Ethyl 4-oxo-1,3-diphenyl-6-((2-(1-piperidinyl)ethyl)thio)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate"	376034	"NSC656433; MLS002701584; Ethyl 4-oxo-1,3-diphenyl-6-((2-(1-piperidinyl)ethyl)thio)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate; CHEMBL1864105; ZINC5733616; NSC-656433; NCI60_019545; SMR001565185; ethyl 4-oxo-1,3-diphenyl-6-[2-(1-piperidyl)ethylsulfanyl]-2-thioxo-pyrimidine-5-carboxylate; Pyrimidine-5-carboxylic acid,3-diphenyl-6-[2-[2-(piperidin-1-yl)ethyl]thio]-2-thioxo-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656433	.	.	.	.	495.7	C26H29N3O3S2	111	769	5.1	34	0	6	9	"InChI=1S/C26H29N3O3S2/c1-2-32-25(31)22-23(30)28(20-12-6-3-7-13-20)26(33)29(21-14-8-4-9-15-21)24(22)34-19-18-27-16-10-5-11-17-27/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3"	CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCCCC4	QMTUMNZZJKUEFZ-UHFFFAOYSA-N
DG54816	"6-Acetyl-5-hydroxy-1,3-diphenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one"	376042	"NSC656441; 6-Acetyl-5-hydroxy-1,3-diphenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one; CHEMBL1976704; ZINC1016688; MCULE-1005116541; NSC-656441; NCI60_019554; AO-476/40829203; 6-acetyl-5-hydroxy-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-4-one; 6-Acetyl-1,2-dihydro-1,3-diphenyl-2-thioxo-5-hydroxythieno[2,3-d]pyrimidin-4(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656441	.	.	.	.	394.5	C20H14N2O3S2	121	616	4.8	27	1	5	3	"InChI=1S/C20H14N2O3S2/c1-12(23)17-16(24)15-18(25)21(13-8-4-2-5-9-13)20(26)22(19(15)27-17)14-10-6-3-7-11-14/h2-11,24H,1H3"	CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)O	NTHPNPZTOAZBEV-UHFFFAOYSA-N
DG54817	4-chloro-N-methyl-N-(4-methylpiperazine-1-carbothioyl)benzamide	376043	NSC656442; CHEMBL1997658; 4-chloro-N-methyl-N-(4-methylpiperazine-1-carbothioyl)benzamide; 4-Chloro-N-methyl-N-((4-methyl-1-piperazinyl)carbothioyl)benzamide; ZINC31852173; NSC-656442; NCI60_019555	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656442	.	.	.	.	311.8	C14H18ClN3OS	58.9	363	2.2	20	0	3	1	"InChI=1S/C14H18ClN3OS/c1-16-7-9-18(10-8-16)14(20)17(2)13(19)11-3-5-12(15)6-4-11/h3-6H,7-10H2,1-2H3"	CN1CCN(CC1)C(=S)N(C)C(=O)C2=CC=C(C=C2)Cl	WCBMSMFDYLKMFF-UHFFFAOYSA-N
DG54818	N-methyl-N-(4-methylpiperazine-1-carbothioyl)thiophene-2-carboxamide	376044	NSC656443; CHEMBL2001591; N-methyl-N-(4-methylpiperazine-1-carbothioyl)thiophene-2-carboxamide; ZINC31852176; N-Methyl-N-((4-methyl-1-piperazinyl)carbothioyl)-2-thiophenecarboxamide; NSC-656443; NCI60_019556	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656443	.	.	.	.	283.4	C12H17N3OS2	87.1	329	1.6	18	0	4	1	"InChI=1S/C12H17N3OS2/c1-13-5-7-15(8-6-13)12(17)14(2)11(16)10-4-3-9-18-10/h3-4,9H,5-8H2,1-2H3"	CN1CCN(CC1)C(=S)N(C)C(=O)C2=CC=CS2	UFMOXFXWZUWZBD-UHFFFAOYSA-N
DG54819	4-chloro-N-cyclohexyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide	376055	"NSC656454; CHEMBL1974580; ZINC1635186; 4-chloro-N-cyclohexyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide; Benzamide, 4-chloro-N-cyclohexyl-N-[(4-phenyl-1-piperazinyl)thioxomethyl]-; NSC-656454; NCI60_019567"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656454	.	.	.	.	442	C24H28ClN3OS	58.9	575	5.8	30	0	3	3	"InChI=1S/C24H28ClN3OS/c25-20-13-11-19(12-14-20)23(29)28(22-9-5-2-6-10-22)24(30)27-17-15-26(16-18-27)21-7-3-1-4-8-21/h1,3-4,7-8,11-14,22H,2,5-6,9-10,15-18H2"	C1CCC(CC1)N(C(=O)C2=CC=C(C=C2)Cl)C(=S)N3CCN(CC3)C4=CC=CC=C4	SNLUEZLITDQYGH-UHFFFAOYSA-N
DG54820	1-Adamantyl 2-methyl-2-propanesulfinate	376101	NSC656586; 1-Adamantyl 2-methyl-2-propanesulfinate; 1-adamantyl 2-methylpropane-2-sulfinate; CHEMBL2000262; NSC-656586; NCI60_019592	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656586	.	.	.	.	256.41	C14H24O2S	45.5	301	3.4	17	0	3	3	"InChI=1S/C14H24O2S/c1-13(2,3)17(15)16-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,4-9H2,1-3H3"	CC(C)(C)S(=O)OC12CC3CC(C1)CC(C3)C2	AMSIUHRGJNKJAR-UHFFFAOYSA-N
DG54821	"Spiro[2H-1,3-benzoxazine-2,3'-[3H]naphtho[2,1-b]pyran]-4(3H)-one"	376106	"NSC656591; Spiro[2H-1,3-benzoxazine-2,3'-[3H]naphtho[2,1-b]pyran]-4(3H)-one; Oprea1_073329; Oprea1_711670; MLS000525259; CHEMBL1330679; spiro[3H-1,3-benzoxazine-2,3'-benzo[f]chromene]-4-one; HMS2355F22; AKOS000562383; AKOS024304793; MCULE-8008802251; NSC-656591; NCI60_019597; SMR000122133; BRD-A17388120-001-07-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656591	.	.	.	.	315.3	C20H13NO3	47.6	547	4.3	24	1	3	0	"InChI=1S/C20H13NO3/c22-19-16-7-3-4-8-17(16)23-20(21-19)12-11-15-14-6-2-1-5-13(14)9-10-18(15)24-20/h1-12H,(H,21,22)"	C1=CC=C2C(=C1)C=CC3=C2C=CC4(O3)NC(=O)C5=CC=CC=C5O4	XGNIWAINDZATCD-UHFFFAOYSA-N
DG54822	"6-Chloro-5,8-dihydroxy-7-piperazin-1-ylnaphthalene-1,4-dione;hydrochloride"	376115	NSC656599; CHEMBL1973212; NSC-656599	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656599	.	.	.	.	345.2	C14H14Cl2N2O4	89.9	478	.	22	4	6	1	"InChI=1S/C14H13ClN2O4.ClH/c15-11-12(17-5-3-16-4-6-17)14(21)10-8(19)2-1-7(18)9(10)13(11)20;/h1-2,16,20-21H,3-6H2;1H"	C1CN(CCN1)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O.Cl	YNVBHRWIGRNNLF-UHFFFAOYSA-N
DG54823	"2-(4-bromophenyl)-6-(3-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;bromide"	376153	NSC656670; CHEMBL1991134; NSC-656670	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656670	.	.	.	.	517.2	C20H15Br2N5O2	76.8	621	.	29	0	5	3	"InChI=1S/C20H15BrN5O2.BrH/c21-16-9-11-18(12-10-16)25-14-24(17-6-2-1-3-7-17)22-20(23-25)15-5-4-8-19(13-15)26(27)28;/h1-13H,14H2;1H/q+1;/p-1"	C1N(N=C(N=[N+]1C2=CC=C(C=C2)Br)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4.[Br-]	HZOCQABZUDKFDA-UHFFFAOYSA-M
DG54824	"2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;bromide"	376155	NSC656671; CHEMBL1982560; NSC-656671	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656671	.	.	.	.	468.3	C21H18BrN5O3	86	625	.	30	0	6	4	"InChI=1S/C21H18N5O3.BrH/c1-29-20-13-11-18(12-14-20)25-15-24(17-5-3-2-4-6-17)22-21(23-25)16-7-9-19(10-8-16)26(27)28;/h2-14H,15H2,1H3;1H/q+1;/p-1"	COC1=CC=C(C=C1)[N+]2=NC(=NN(C2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]	WHTJBPZDEQWBQD-UHFFFAOYSA-M
DG54825	"2,6-Bis(diethylaminomethyl)-4-[(10-methylindolo[3,2-b]quinolin-11-yl)amino]phenol"	376180	"NSC656712; SMR001565186; cid_376179; CHEMBL1740933; BDBM83460; ZINC13000786; 2,6-bis(diethylaminomethyl)-4-[(10-methylindolo[3,2-b]quinolin-11-yl)amino]phenol; {4-(10-Methyl-10H-indolo[3,2-b]quinolin-11-yl)amino-2,} 6-bis(diethylaminomethyl)phenol Trihydrochloride; NCI60_019635; 2,6-bis(diethylaminomethyl)-4-[(10-methylquindolin-11-yl)amino]phenol;hydrochloride; 2,6-Bis[(diethylamino)methyl]-4-[[10-methyl-10H-indolo[3,2-b]quinolin-11-yl]amino]phenol; 2,6-Bis((diethylamino)methyl)-4-((10-methyl-10H-indolo[3,2-b]quinolin-11-yl)amino)phenol hydrochloride; 2,6-bis(diethylaminomethyl)-4-[(10-methyl-11-indolo[3,2-b]quinolinyl)amino]phenol;hydrochloride; 2,6-bis(diethylaminomethyl)-4-[(10-methylindolo[3,2-b]quinolin-11-yl)amino]phenol;hydrochloride; 4-(10-Methyl-10H-indolo[3,2-b]quinolin-11-yl)amino-2, 6-bis(diethylaminomethyl)phenol Trihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656712	.	.	.	.	509.7	C32H39N5O	56.6	705	5.7	38	2	5	10	"InChI=1S/C32H39N5O/c1-6-36(7-2)20-22-18-24(19-23(32(22)38)21-37(8-3)9-4)33-29-25-14-10-12-16-27(25)34-30-26-15-11-13-17-28(26)35(5)31(29)30/h10-19,38H,6-9,20-21H2,1-5H3,(H,33,34)"	CCN(CC)CC1=CC(=CC(=C1O)CN(CC)CC)NC2=C3C(=NC4=CC=CC=C42)C5=CC=CC=C5N3C	YQEMYONMNJQBMH-UHFFFAOYSA-N
DG54826	Tubacetine	376181	Tubacetine; NSC656714; CHEMBL1991947; NSC-656714; NCI60_019636	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656714	.	.	.	.	511.6	C29H37NO7	104	770	4.2	37	1	7	15	"InChI=1S/C29H37NO7/c1-20(31)35-25(28(3,4)36-21(2)32)15-17-29(5)26(37-29)19-34-24-13-11-22(12-14-24)16-18-30-27(33)23-9-7-6-8-10-23/h6-14,25-26H,15-19H2,1-5H3,(H,30,33)"	CC(=O)OC(CCC1(C(O1)COC2=CC=C(C=C2)CCNC(=O)C3=CC=CC=C3)C)C(C)(C)OC(=O)C	NOVLFFMRABKFQF-UHFFFAOYSA-N
DG54827	Tubasenecine	376182	Tubasenecine; NSC656715; CHEMBL2005221; NSC-656715; NCI60_019637	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656715	.	.	.	.	489.6	C27H39NO7	104	766	4	35	1	7	15	"InChI=1S/C27H39NO7/c1-18(2)16-25(31)28-15-13-21-8-10-22(11-9-21)32-17-24-27(7,35-24)14-12-23(33-19(3)29)26(5,6)34-20(4)30/h8-11,16,23-24H,12-15,17H2,1-7H3,(H,28,31)"	CC(=CC(=O)NCCC1=CC=C(C=C1)OCC2C(O2)(C)CCC(C(C)(C)OC(=O)C)OC(=O)C)C	KKYDPPWGPQTTKD-UHFFFAOYSA-N
DG54828	"N,N-Diethyl-3-(5-fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanamide"	376202	"NSC656739; CHEMBL1976080; NSC-656739; N,N-Diethyl-3-(5-fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanamide; NCI60_019654; N,N-diethyl-3-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656739	.	.	.	.	257.26	C11H16FN3O3	69.7	391	-0.6	18	1	4	5	"InChI=1S/C11H16FN3O3/c1-3-14(4-2)9(16)5-6-15-7-8(12)10(17)13-11(15)18/h7H,3-6H2,1-2H3,(H,13,17,18)"	CCN(CC)C(=O)CCN1C=C(C(=O)NC1=O)F	MNPCCGHAGUZRRE-UHFFFAOYSA-N
DG54829	NSC656741	376204	"3-(5-Fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-N-(2-((3-(5-fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoyl)(methyl)amino)ethyl)-N-methylpropanamide; NSC656741; CHEMBL1985525; NSC-656741; 3-(5-Fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-N-(2-((3-(5-fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoyl)(methyl)amino)ethyl)-N-methylpropanamide; NCI60_019656; 3-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-N-[2-[3-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)propanoyl-methyl-amino]ethyl]-N-methyl-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656741	.	.	.	.	456.4	C18H22F2N6O6	139	832	-2.3	32	2	8	9	"InChI=1S/C18H22F2N6O6/c1-23(13(27)3-5-25-9-11(19)15(29)21-17(25)31)7-8-24(2)14(28)4-6-26-10-12(20)16(30)22-18(26)32/h9-10H,3-8H2,1-2H3,(H,21,29,31)(H,22,30,32)"	CN(CCN(C)C(=O)CCN1C=C(C(=O)NC1=O)F)C(=O)CCN2C=C(C(=O)NC2=O)F	XXKZDRVPPHNQSL-UHFFFAOYSA-N
DG54830	4-Methyl-1-(4-methyl-2-nitro-phenyl)sulfonyl-2-nitro-benzene	376217	NSC656835; CHEMBL1992874; NSC-656835; NCI60_019671; 4-methyl-1-(4-methyl-2-nitro-phenyl)sulfonyl-2-nitro-benzene; Hydroxy(2-((2-(hydroxy(oxido)amino)-4-methylphenyl)sulfonyl)-5-methylphenyl)azane oxide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656835	.	.	.	.	336.32	C14H12N2O6S	134	517	3.1	23	0	6	2	"InChI=1S/C14H12N2O6S/c1-9-3-5-13(11(7-9)15(17)18)23(21,22)14-6-4-10(2)8-12(14)16(19)20/h3-8H,1-2H3"	CC1=CC(=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-]	GUQSICBSGMOVMZ-UHFFFAOYSA-N
DG54831	NSC656903	376223	"methyl (1R,2S,3R,6R,13S,15R,17S)-3,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-10-(4,4,4-trifluoro-3-methylbutanoyl)oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate; NSC-656903; NSC656903; NCI60_019680"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656903	.	.	.	.	576.5	C26H31F3O11	166	1200	0.8	40	3	14	6	"InChI=1S/C26H31F3O11/c1-9(26(27,28)29)5-14(31)40-17-10(2)11-6-13-24-8-38-25(22(36)37-4,19(24)16(33)21(35)39-13)20(34)15(32)18(24)23(11,3)7-12(17)30/h9,11,13,15-16,18-20,32-34H,5-8H2,1-4H3/t9 ,11 ,13-,15-,16-,18 ,19-,20 ,23+,24-,25+/m1/s1"	CC1=C(C(=O)C[C@]2(C1C[C@@H]3[C@]45C2[C@H](C([C@]([C@@H]4[C@H](C(=O)O3)O)(OC5)C(=O)OC)O)O)C)OC(=O)CC(C)C(F)(F)F	DRHBGHWWZZPDNF-TYIDACLASA-N
DG54832	Antineoplastic-656904	376224	NSC-656904; ANTINEOPLASTIC-656904; NSC656904; NCI60_019681	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656904	.	.	.	.	576.5	C26H31F3O11	166	1200	1.3	40	3	14	6	"InChI=1S/C26H31F3O11/c1-9(26(27,28)29)5-14(31)40-17-19-24-8-38-25(19,22(36)37-4)20(34)16(33)18(24)23(3)7-12(30)15(32)10(2)11(23)6-13(24)39-21(17)35/h9,11,13,16-20,32-34H,5-8H2,1-4H3/t9 ,11 ,13-,16-,17-,18 ,19-,20 ,23+,24-,25+/m1/s1"	CC1=C(C(=O)C[C@]2(C1C[C@@H]3[C@]45C2[C@H](C([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)CC(C)C(F)(F)F)(OC5)C(=O)OC)O)O)C)O	CURIYFAIROAUOI-YJDLXNETSA-N
DG54833	"(1R,10S,14R)-7-(4-fluorophenyl)-10,14-dimethyl-5,7,9-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-4(8),5,18-trien-17-one"	376240	NSC656923; CHEMBL1974774; NSC-656923; NCI60_019694	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656923	.	.	.	.	419.5	C26H30FN3O	46.9	777	4.8	31	1	4	1	"InChI=1S/C26H30FN3O/c1-25-11-9-19(31)13-16(25)3-8-20-21(25)10-12-26(2)22(20)14-23-24(29-26)30(15-28-23)18-6-4-17(27)5-7-18/h4-7,13,15,20-22,29H,3,8-12,14H2,1-2H3/t20-,21 ,22 ,25+,26+/m1/s1"	C[C@]12CCC(=O)C=C1CC[C@@H]3C2CC[C@]4(C3CC5=C(N4)N(C=N5)C6=CC=C(C=C6)F)C	YXHIWUDDHCFYPI-VPPSLPLHSA-N
DG54834	"(2R,13R,17S,18S)-7-(4-fluorophenyl)-2,18-dimethyl-6,7,9-triazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-ol"	376242	NSC656925; CHEMBL1981486; NSC-656925; NCI60_019696	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656925	.	.	.	.	409.5	C25H32FN3O	50.1	669	5.5	30	2	4	1	"InChI=1S/C25H32FN3O/c1-24-12-11-20-18(19(24)8-10-22(24)30)7-9-21-25(20,2)13-15-14-27-29(23(15)28-21)17-5-3-16(26)4-6-17/h3-6,14,18-22,28,30H,7-13H2,1-2H3/t18-,19 ,20 ,21 ,22-,24-,25+/m0/s1"	C[C@]12CCC3[C@H](C1CC[C@@H]2O)CCC4[C@@]3(CC5=C(N4)N(N=C5)C6=CC=C(C=C6)F)C	CDGIYWNEIDGTBY-RVIUJWOKSA-N
DG54835	"(1R,9S,13R,16S)-6-(4-fluorophenyl)-9,13-dimethyl-5,6,7-triazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,18-trien-16-ol"	376245	NSC656928; CHEMBL1967064; NSC-656928; NCI60_019699	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656928	.	.	.	.	407.5	C25H30FN3O	50.9	721	5.3	30	1	4	1	"InChI=1S/C25H30FN3O/c1-24-11-9-18(30)13-15(24)3-8-19-20(24)10-12-25(2)21(19)14-22-23(25)28-29(27-22)17-6-4-16(26)5-7-17/h3-7,18-21,30H,8-14H2,1-2H3/t18-,19+,20 ,21 ,24-,25-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3C2CC[C@]4(C3CC5=NN(N=C54)C6=CC=C(C=C6)F)C)O	JAUDVHBWCFGZJO-CXFAMWIQSA-N
DG54836	NSC656929	376246	"(1R,10S,14R,17S)-7-(4-fluorophenyl)-10,14-dimethyl-6,7,9-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-4(8),5,19-trien-17-ol; NSC656929; CHEMBL1982127; NSC-656929; NCI60_019700"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656929	.	.	.	.	421.5	C26H32FN3O	50.1	736	5	31	2	4	1	"InChI=1S/C26H32FN3O/c1-25-11-9-20(31)14-17(25)3-8-21-22(25)10-12-26(2)23(21)13-16-15-28-30(24(16)29-26)19-6-4-18(27)5-7-19/h3-7,15,20-23,29,31H,8-14H2,1-2H3/t20-,21+,22 ,23 ,25-,26-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3C2CC[C@]4(C3CC5=C(N4)N(N=C5)C6=CC=C(C=C6)F)C)O	YCVJEIIUIBLCAU-ADDMTJTHSA-N
DG54837	"2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene"	376288	"NSC657002; 2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene; Oprea1_471579; CHEMBL1980516; STK766740; AKOS001725053; MCULE-4217686981; NSC-657002; NCI60_019743; SR-01000536483; SR-01000536483-1; (2-(3,4-Diethoxyphenyl)-8-methoxy-2H-chromen-3-yl)(hydroxy)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657002	.	.	.	.	371.4	C20H21NO6	82.7	533	4.1	27	0	6	6	"InChI=1S/C20H21NO6/c1-4-25-16-10-9-14(12-18(16)26-5-2)19-15(21(22)23)11-13-7-6-8-17(24-3)20(13)27-19/h6-12,19H,4-5H2,1-3H3"	CCOC1=C(C=C(C=C1)C2C(=CC3=C(O2)C(=CC=C3)OC)[N+](=O)[O-])OCC	BCJAUPOXJFTTNG-UHFFFAOYSA-N
DG54838	NSC657017	376302	"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-2-(4-methoxyphenyl)-9-methyl-; NSC657017; Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-2-(4-methoxyphenyl)-9-methyl-; CHEMBL1978869; NSC-657017; NCI60_019758"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657017	.	.	.	.	470.6	C30H34N2O3	62.4	843	6.4	35	1	3	3	"InChI=1S/C30H34N2O3/c1-16-6-13-23-22(14-16)24-20-12-7-17(30(2,3)4)15-21(20)25-26(27(24)31-23)29(34)32(28(25)33)18-8-10-19(35-5)11-9-18/h6,8-11,13-14,17,20-21,25-26,31H,7,12,15H2,1-5H3"	CC1=CC2=C(C=C1)NC3=C2C4CCC(CC4C5C3C(=O)N(C5=O)C6=CC=C(C=C6)OC)C(C)(C)C	YJZQCNDBZGZAFQ-UHFFFAOYSA-N
DG54839	NSC657023	376308	"9-Tert-butyl-4-(4-methoxyphenyl)-16-nitro-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione; NSC657023; CHEMBL1987556; NSC-657023; NCI60_019764; tert-butyl-(4-methoxyphenyl)-nitro-[ ]dione; 5-tert-Butyl-9-(hydroxy(oxido)amino)-2-(4-methoxyphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657023	.	.	.	.	501.6	C29H31N3O5	108	935	5.9	37	1	5	3	"InChI=1S/C29H31N3O5/c1-29(2,3)15-5-11-19-20(13-15)24-25(26-23(19)21-14-17(32(35)36)8-12-22(21)30-26)28(34)31(27(24)33)16-6-9-18(37-4)10-7-16/h6-10,12,14-15,19-20,24-25,30H,5,11,13H2,1-4H3"	CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)[N+](=O)[O-])C(=O)N(C3=O)C6=CC=C(C=C6)OC	DGKFVZWKJNAMFW-UHFFFAOYSA-N
DG54840	"11-Benzyl-1H-benzo[a]carbazole-1,4(11H)-dione"	376312	"NSC657026; 11-Benzyl-1H-benzo[a]carbazole-1,4(11H)-dione; 11-benzylbenzo[a]carbazole-1,4-dione; CHEMBL1991646; NSC-657026; NCI60_019767"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657026	.	.	.	.	337.4	C23H15NO2	39.1	605	4.5	26	0	2	2	"InChI=1S/C23H15NO2/c25-20-12-13-21(26)22-18(20)11-10-17-16-8-4-5-9-19(16)24(23(17)22)14-15-6-2-1-3-7-15/h1-13H,14H2"	C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)C=CC5=O	DNRIEXQBNHKTMC-UHFFFAOYSA-N
DG54841	"11-[(3-Nitrophenyl)methyl]benzo[a]carbazole-1,4-dione"	376314	"NSC657028; 11-[(3-nitrophenyl)methyl]benzo[a]carbazole-1,4-dione; CHEMBL1966625; NSC-657028; NCI60_019769; 11-(3-(Hydroxy(oxido)amino)benzyl)-1H-benzo[a]carbazole-1,4(11H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657028	.	.	.	.	382.4	C23H14N2O4	84.9	729	4.3	29	0	4	2	"InChI=1S/C23H14N2O4/c26-20-10-11-21(27)22-18(20)9-8-17-16-6-1-2-7-19(16)24(23(17)22)13-14-4-3-5-15(12-14)25(28)29/h1-12H,13H2"	C1=CC=C2C(=C1)C3=C(N2CC4=CC(=CC=C4)[N+](=O)[O-])C5=C(C=C3)C(=O)C=CC5=O	KDHBQQPXHFVUSW-UHFFFAOYSA-N
DG54842	"9-Chloro-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione"	376316	"NSC657030; 9-Chloro-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione; CHEMBL1983295; NSC-657030; NCI60_019771; 9-chloro-11-methyl-benzo[a]carbazole-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657030	.	.	.	.	295.7	C17H10ClNO2	39.1	517	3.5	21	0	2	0	"InChI=1S/C17H10ClNO2/c1-19-13-8-9(18)2-3-10(13)11-4-5-12-14(20)6-7-15(21)16(12)17(11)19/h2-8H,1H3"	CN1C2=C(C=CC(=C2)Cl)C3=C1C4=C(C=C3)C(=O)C=CC4=O	SPWIYWDVWJKLLV-UHFFFAOYSA-N
DG54843	"2-Acetyl-1,2-dihydroellipticine"	376328	"2-acetyl-1,2-dihydroellipticine; MLS000766290; NSC657149; SMR000528874; 1-(5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)ethanone; cid_376328; CHEMBL1461160; BDBM55935; ZINC1635869; NSC-657149; NCI60_019782; 2-Acetyl-5,11-dimethyl-2,6-dihydro-1H-pyrido[4,3-b]carbazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657149	.	.	.	.	290.4	C19H18N2O	36.1	488	3.5	22	1	1	0	"InChI=1S/C19H18N2O/c1-11-16-10-21(13(3)22)9-8-14(16)12(2)19-18(11)15-6-4-5-7-17(15)20-19/h4-9,20H,10H2,1-3H3"	CC1=C2CN(C=CC2=C(C3=C1C4=CC=CC=C4N3)C)C(=O)C	CNBKZUVGEAKGEQ-UHFFFAOYSA-N
DG54844	"1-[[[2,5-Dioxo-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]amino]methylamino]-4-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione"	376336	"NSC657168; CHEMBL1985285; NSC-657168; 1-((((2,5-Dioxo-4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)amino)methyl)amino)-4-(3-(trifluoromethyl)phenyl)-2,5-piperazinedione; 1-[[[2,5-dioxo-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]amino]methylamino]-4-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione; NCI60_019789"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657168	.	.	.	.	558.4	C23H20F6N6O4	105	888	2.4	39	2	12	6	"InChI=1S/C23H20F6N6O4/c24-22(25,26)14-3-1-5-16(7-14)32-9-20(38)34(11-18(32)36)30-13-31-35-12-19(37)33(10-21(35)39)17-6-2-4-15(8-17)23(27,28)29/h1-8,30-31H,9-13H2"	C1C(=O)N(CC(=O)N1C2=CC=CC(=C2)C(F)(F)F)NCNN3CC(=O)N(CC3=O)C4=CC=CC(=C4)C(F)(F)F	NNPNNNXAZQAKOD-UHFFFAOYSA-N
DG54845	"1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-oxo-3-phenylprop-1-ynyl)pyrimidine-2,4-dione"	376342	NSC657174; CHEMBL2003380; NSC-657174; NCI60_019795	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657174	.	.	.	.	356.3	C18H16N2O6	116	697	0.4	26	3	6	4	"InChI=1S/C18H16N2O6/c21-10-15-14(23)8-16(26-15)20-9-12(17(24)19-18(20)25)6-7-13(22)11-4-2-1-3-5-11/h1-5,9,14-16,21,23H,8,10H2,(H,19,24,25)"	C1C(C(OC1N2C=C(C(=O)NC2=O)C#CC(=O)C3=CC=CC=C3)CO)O	MLHIXYLZGOZMAD-UHFFFAOYSA-N
DG54846	5-chloro-2-(4-methylphenyl)-1H-benzimidazole	376347	"5-chloro-2-(4-methylphenyl)-1H-benzimidazole; 6-chloro-2-(4-methylphenyl)-1H-benzimidazole; 7118-65-2; NSC657179; CHEMBL1993303; ZINC1508901; STL374141; AKOS003239269; MCULE-6406796738; NSC-657179; 2-(p-Tolyl)-6-chloro-1H-benzoimidazole; NCI60_019800; 5-Chloro-2-(p-tolyl)-1H-benzo[d]imidazole; AP-970/40003982; 5-chloro-2-(4-methylphenyl)-1H-1,3-benzodiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657179	.	.	.	.	242.7	C14H11ClN2	28.7	263	4.2	17	1	1	1	"InChI=1S/C14H11ClN2/c1-9-2-4-10(5-3-9)14-16-12-7-6-11(15)8-13(12)17-14/h2-8H,1H3,(H,16,17)"	CC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)Cl	BEBJOHXTHXVKKG-UHFFFAOYSA-N
DG54847	2-phenyl-1H-perimidine	376354	2-phenyl-1H-perimidine; MLS000573077; 15666-84-9; SMR000185007; 2-phenylperimidine; NSC657187; CBMicro_049680; cid_376354; SCHEMBL3395971; CHEMBL1449950; BDBM33106; DTXSID90327450; HMS2549P19; ZINC186916; AKOS001659880; CCG-110594; MCULE-9929188269; NSC-657187; NCI60_019808; BIM-0049831.P001; AF-936/31349013	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657187	.	.	.	.	244.29	C17H12N2	24.4	356	3.7	19	1	1	1	"InChI=1S/C17H12N2/c1-2-6-13(7-3-1)17-18-14-10-4-8-12-9-5-11-15(19-17)16(12)14/h1-11H,(H,18,19)"	C1=CC=C(C=C1)C2=NC3=CC=CC4=C3C(=CC=C4)N2	KXLJLJJNISGKPN-UHFFFAOYSA-N
DG54848	1-(4-Chlorophenylimino)-2-(4-chlorophenyl)isoindoline	376360	"NSC657192; CHEMBL1981656; STK688478; ZINC13467958; AKOS005601239; ZINC100400789; CCG-248043; MCULE-5080038180; MCULE-5102510974; NSC-657192; NCI60_019813; BRD-K29910129-001-01-6; 1-(4-Chlorophenylimino)-2-(4-chlorophenyl)isoindoline; 4-chloro-N-[(1Z)-2-(4-chlorophenyl)-2,3-dihydro-1H-isoindol-1-ylidene]aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657192	.	.	.	.	353.2	C20H14Cl2N2	15.6	451	5.6	24	0	1	2	"InChI=1S/C20H14Cl2N2/c21-15-5-9-17(10-6-15)23-20-19-4-2-1-3-14(19)13-24(20)18-11-7-16(22)8-12-18/h1-12H,13H2"	C1C2=CC=CC=C2C(=NC3=CC=C(C=C3)Cl)N1C4=CC=C(C=C4)Cl	UDXLICZFPRSKOW-UHFFFAOYSA-N
DG54849	"2,6-Dimethyl-4-p-tolyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester"	376363	"diethyl 2,6-dimethyl-4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 2,6-Dimethyl-4-p-tolyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester; CHEMBL1977154; 36422-59-0; SR-01000321366; NSC657195; CBMicro_029986; Oprea1_179674; Oprea1_698653; SCHEMBL3032293; ZINC229015; BDBM50073959; CCG-20383; STK861992; AKOS000573916; MCULE-4734974865; NSC-657195; 3,5-diethyl 2,6-dimethyl-4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate; NCI60_019816; BIM-0030005.P001; CS-0298834; EU-0011479; SR-01000321366-1; SR-01000321366-2; Z90442211; 3,5-dicarboethoxy-2,6-dimethyl-4-(4-methylphenyl)-1,4-dihydropyridine; Diethyl 2,6-dimethyl-4-(p-tolyl)-1,4-dihydropyridine-3,5-dicarboxylate; Diethyl 2,6-dimethyl-4-p-tolyl-1,4-dihydropyridine-3,5-dicarboxylate; 1,4-Dihydro-2,6-dimethyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylic acid diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657195	.	.	.	.	343.4	C20H25NO4	64.599	543	3.8	25	1	5	7	"InChI=1S/C20H25NO4/c1-6-24-19(22)16-13(4)21-14(5)17(20(23)25-7-2)18(16)15-10-8-12(3)9-11-15/h8-11,18,21H,6-7H2,1-5H3"	CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C)C(=O)OCC)C)C	YSDNGJONQCXVPU-UHFFFAOYSA-N
DG54850	"Ditert-butyl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	376364	NSC657196; CHEMBL1097853; ZINC31852336; AKOS024358826; MCULE-9107473835; NSC-657196; NCI60_019817	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657196	.	.	.	.	430.5	C23H30N2O6	110	749	4.5	31	1	7	7	"InChI=1S/C23H30N2O6/c1-13-17(20(26)30-22(3,4)5)19(15-9-11-16(12-10-15)25(28)29)18(14(2)24-13)21(27)31-23(6,7)8/h9-12,19,24H,1-8H3"	CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C	PDRVVFSIZJAOGA-UHFFFAOYSA-N
DG54851	"6-(3-Trifluoromethyl-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	376372	"CHEMBL50227; NSC657274; SCHEMBL8980306; BDBM50037447; NSC-657274; NCI60_019824; 1,5-g]quinolin-8-one, 6-[3-(trifluoromethyl) phenyl]-; 6-(3-Trifluoromethyl-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; 6-[3-(Trifluoromethyl)phenyl]-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657274	.	.	.	.	333.26	C17H10F3NO3	47.6	548	3.9	24	1	7	1	"InChI=1S/C17H10F3NO3/c18-17(19,20)10-3-1-2-9(4-10)12-6-14(22)11-5-15-16(24-8-23-15)7-13(11)21-12/h1-7H,8H2,(H,21,22)"	C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)C(F)(F)F	CVUVXQOSMQTCRB-UHFFFAOYSA-N
DG54852	6-(Acetylamino)-2-(3-fluorophenyl)quinolin-4(1H)-one	376375	CHEMBL115022; NSC657277; SCHEMBL8980474; BDBM50470022; NSC-657277; NCI60_019827; 6-(Acetylamino)-2-(3-fluorophenyl)quinolin-4(1H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657277	.	.	.	.	296.29	C17H13FN2O2	58.2	491	2.5	22	2	4	2	"InChI=1S/C17H13FN2O2/c1-10(21)19-13-5-6-15-14(8-13)17(22)9-16(20-15)11-3-2-4-12(18)7-11/h2-9H,1H3,(H,19,21)(H,20,22)"	CC(=O)NC1=CC2=C(C=C1)NC(=CC2=O)C3=CC(=CC=C3)F	SNJDIYIRSGAION-UHFFFAOYSA-N
DG54853	"6-(2-Chlorophenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	376376	"NSC657278; CHEMBL14644; NCIMech_000438; Neuro_000379; ZINC5581785; BDBM50041106; CCG-35972; NSC-657278; NCI60_019828; 1,5-g]quinolin-8(5H)-one, 6-(2-chlorophenyl)-; 6-(2-Chloro-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; 6-(2-Chlorophenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657278	.	.	.	.	299.71	C16H10ClNO3	47.6	466	3.6	21	1	4	1	"InChI=1S/C16H10ClNO3/c17-11-4-2-1-3-9(11)12-6-14(19)10-5-15-16(21-8-20-15)7-13(10)18-12/h1-7H,8H2,(H,18,19)"	C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC=CC=C4Cl	SHMPNORMVOCNRJ-UHFFFAOYSA-N
DG54854	"6-[3-(Benzyloxy)phenyl]-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	376377	"CHEMBL325260; NSC657279; Neuro_000380; SCHEMBL8980278; ZINC5582163; BDBM50470020; NSC-657279; NCI60_019829; 1,5-g]quinolin-8(5H)-one, 6-[3-(phenylmethoxy)phenyl]-; 6-[3-(Benzyloxy)phenyl]-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657279	.	.	.	.	371.4	C23H17NO4	56.8	599	4.5	28	1	5	4	"InChI=1S/C23H17NO4/c25-21-11-19(24-20-12-23-22(10-18(20)21)27-14-28-23)16-7-4-8-17(9-16)26-13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,24,25)"	C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)OCC5=CC=CC=C5	DJGZUHVFQISGQA-UHFFFAOYSA-N
DG54855	"1-Propanone, 3-(diethylamino)-1-(4-methylphenyl)-, hydrochloride"	376382	"NSC657297; 1-Propanone, 3-(diethylamino)-1-(4-methylphenyl)-, hydrochloride; CHEMBL542227; NSC-657297; 3-(diethylamino)-1-(p-tolyl)propan-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657297	.	.	.	.	255.78	C14H22ClNO	20.3	203	.	17	1	2	6	"InChI=1S/C14H21NO.ClH/c1-4-15(5-2)11-10-14(16)13-8-6-12(3)7-9-13;/h6-9H,4-5,10-11H2,1-3H3;1H"	CCN(CC)CCC(=O)C1=CC=C(C=C1)C.Cl	HSDTYCZCZBOCTG-UHFFFAOYSA-N
DG54856	"1-Propanone, 1-(3,4-dichlorophenyl)-3-(diethylamino)-, hydrochloride"	376386	"NSC657299; 1-Propanone, 1-(3,4-dichlorophenyl)-3-(diethylamino)-, hydrochloride; CHEMBL545068; NSC-657299; 1-(3,4-dichlorophenyl)-3-(diethylamino)propan-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657299	.	.	.	.	310.6	C13H18Cl3NO	20.3	244	.	18	1	2	6	"InChI=1S/C13H17Cl2NO.ClH/c1-3-16(4-2)8-7-13(17)10-5-6-11(14)12(15)9-10;/h5-6,9H,3-4,7-8H2,1-2H3;1H"	CCN(CC)CCC(=O)C1=CC(=C(C=C1)Cl)Cl.Cl	QIMWEGRZUORXTJ-UHFFFAOYSA-N
DG54857	(4-Chlorophenyl)-[4-(4-chlorophenyl)-1-ethyl-4-hydroxy-1-methylpiperidin-1-ium-3-yl]methanone;bromide	376393	CHEMBL1979589; NSC657303; NSC-657303	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657303	.	.	.	.	473.2	C21H24BrCl2NO2	37.3	500	.	27	1	3	4	"InChI=1S/C21H24Cl2NO2.BrH/c1-3-24(2)13-12-21(26,16-6-10-18(23)11-7-16)19(14-24)20(25)15-4-8-17(22)9-5-15;/h4-11,19,26H,3,12-14H2,1-2H3;1H/q+1;/p-1"	CC[N+]1(CCC(C(C1)C(=O)C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O)C.[Br-]	VTZSZMBLTKKFLW-UHFFFAOYSA-M
DG54858	"Methanone, [1-ethyl-4-hydroxy-4-(4-hydroxyphenyl)-3-piperidinyl](4-hydroxyphenyl)-, hydrochloride"	376395	"NSC657304; CHEMBL2003352; NSC-657304; Methanone, [1-ethyl-4-hydroxy-4-(4-hydroxyphenyl)-3-piperidinyl](4-hydroxyphenyl)-, hydrochloride; [1-ethyl-4-hydroxy-4-(4-hydroxyphenyl)-3-piperidyl]-(4-hydroxyphenyl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657304	.	.	.	.	377.9	C20H24ClNO4	81	455	.	26	4	5	4	"InChI=1S/C20H23NO4.ClH/c1-2-21-12-11-20(25,15-5-9-17(23)10-6-15)18(13-21)19(24)14-3-7-16(22)8-4-14;/h3-10,18,22-23,25H,2,11-13H2,1H3;1H"	CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)O)(C3=CC=C(C=C3)O)O.Cl	QNADAMPUYNDRRW-UHFFFAOYSA-N
DG54859	N-(4-oxo-2-phenylquinazolin-3(4H)-yl)-2-phenylacetamide	376415	"NSC657329; N-(4-oxo-2-phenylquinazolin-3(4H)-yl)-2-phenylacetamide; MLS000587820; CHEMBL1865034; SCHEMBL13101672; HMS2525J07; ZINC1635921; STK001667; AKOS005374346; MCULE-6426580901; NSC-657329; NCI60_019856; SMR000211783; N-(4-oxo-2-phenyl-quinazolin-3-yl)-2-phenyl-acetamide; N-(4-Oxo-2-phenyl-3(4H)-quinazolinyl)-2-phenylacetamide; N-(4-Oxo-2-phenyl-4H-quinazolin-3-yl)-2-phenyl-acetamide; N-[(2-Phenyl-4-oxo-3,4-dihydroquinazolin)-3-yl]-2-phenylacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657329	.	.	.	.	355.4	C22H17N3O2	61.8	576	3.6	27	1	3	3	"InChI=1S/C22H17N3O2/c26-20(15-16-9-3-1-4-10-16)24-25-21(17-11-5-2-6-12-17)23-19-14-8-7-13-18(19)22(25)27/h1-14H,15H2,(H,24,26)"	C1=CC=C(C=C1)CC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4	RXFULMRHBXEHMV-UHFFFAOYSA-N
DG54860	3-nitro-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide	376422	"NSC657336; 3-nitro-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide; CHEMBL1978377; (3-Nitrophenyl)-N-(4-oxo-2-phenyl(3-hydroquinazolin-3-yl))carboxamide; NSC-657336; NCI60_019863; N-[(4-Oxo-2-phenyl-3,4-dihydroquinazolin)-3-yl]-3-nitrobenzamide; 3-(Hydroxy(oxido)amino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657336	.	.	.	.	386.4	C21H14N4O4	108	683	3.5	29	1	5	2	"InChI=1S/C21H14N4O4/c26-20(15-9-6-10-16(13-15)25(28)29)23-24-19(14-7-2-1-3-8-14)22-18-12-5-4-11-17(18)21(24)27/h1-13H,(H,23,26)"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]	NYEGPZCFMPCJMW-UHFFFAOYSA-N
DG54861	4-(Mercaptomethyl)-N-(2-methyl-4-oxo-3(4H)-quinazolinyl)benzamide	376425	NSC657339; CHEMBL1994135; 4-(Mercaptomethyl)-N-(2-methyl-4-oxo-3(4H)-quinazolinyl)benzamide; NSC-657339; NCI60_019866; N-(2-methyl-4-oxo-quinazolin-3-yl)-4-(sulfanylmethyl)benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657339	.	.	.	.	325.4	C17H15N3O2S	62.8	500	2.1	23	2	4	2	"InChI=1S/C17H15N3O2S/c1-11-18-15-5-3-2-4-14(15)17(22)20(11)19-16(21)13-8-6-12(10-23)7-9-13/h2-9,23H,10H2,1H3,(H,19,21)"	CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=C(C=C3)CS	NNMNQKRWKRXNJE-UHFFFAOYSA-N
DG54862	N-(4-oxo-2-phenyl-quinazolin-3-yl)-4-(sulfanylmethyl)benzamide	376426	NSC657340; CHEMBL1976898; DTXSID30327454; ZINC5497588; NSC-657340; 499-10-5; NCI60_019867; N-(4-oxo-2-phenyl-quinazolin-3-yl)-4-(sulfanylmethyl)benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657340	.	.	.	.	387.5	C22H17N3O2S	62.8	609	3.8	28	2	4	3	"InChI=1S/C22H17N3O2S/c26-21(17-12-10-15(14-28)11-13-17)24-25-20(16-6-2-1-3-7-16)23-19-9-5-4-8-18(19)22(25)27/h1-13,28H,14H2,(H,24,26)"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)CS	KHWLTIZOSUOODO-UHFFFAOYSA-N
DG54863	2-(3-chloroanilino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)acetamide	376431	NSC657345; CHEMBL1975263; ZINC1635934; NSC-657345; NCI60_019872; 2-(3-chloroanilino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)acetamide; N~2~-(3-Chlorophenyl)-N~1~-(4-oxo-2-phenylquinazolin-3(4H)-yl)glycinamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657345	.	.	.	.	404.8	C22H17ClN4O2	73.8	634	4.4	29	2	4	4	"InChI=1S/C22H17ClN4O2/c23-16-9-6-10-17(13-16)24-14-20(28)26-27-21(15-7-2-1-3-8-15)25-19-12-5-4-11-18(19)22(27)29/h1-13,24H,14H2,(H,26,28)"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CNC4=CC(=CC=C4)Cl	ISCOOVSEXNSHME-UHFFFAOYSA-N
DG54864	2-(4-Chloroanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide	376432	NSC657346; CHEMBL1988225; 2-(4-Chloroanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide; NSC-657346; NCI60_019873; 2-(4-chloroanilino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)acetamide; 2-((4-Chlorophenyl)amino)-N-(4-oxo-2-phenylquinazolin-3(4H)-yl)acetamide; 908804-52-4	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657346	.	.	.	.	404.8	C22H17ClN4O2	73.8	626	4.4	29	2	4	4	"InChI=1S/C22H17ClN4O2/c23-16-10-12-17(13-11-16)24-14-20(28)26-27-21(15-6-2-1-3-7-15)25-19-9-5-4-8-18(19)22(27)29/h1-13,24H,14H2,(H,26,28)"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CNC4=CC=C(C=C4)Cl	ZOZYNNMWDRRVCG-UHFFFAOYSA-N
DG54865	2-(3-nitroanilino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)acetamide	376434	NSC657348; CHEMBL1994204; ZINC1635936; NSC-657348; NCI60_019875; 2-(3-nitroanilino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)acetamide; N~2~-(3-Nitrophenyl)-N~1~-(4-oxo-2-phenylquinazolin-3(4H)-yl)glycinamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657348	.	.	.	.	415.4	C22H17N5O4	120	715	3.6	31	2	6	4	"InChI=1S/C22H17N5O4/c28-20(14-23-16-9-6-10-17(13-16)27(30)31)25-26-21(15-7-2-1-3-8-15)24-19-12-5-4-11-18(19)22(26)29/h1-13,23H,14H2,(H,25,28)"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CNC4=CC(=CC=C4)[N+](=O)[O-]	FYDLBNBDHQYMSQ-UHFFFAOYSA-N
DG54866	2-(4-nitroanilino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)acetamide	376435	NSC657349; CHEMBL1995609; ZINC5593758; NSC-657349; NCI60_019876; 2-(4-nitroanilino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)acetamide; 2-(4-(Hydroxy(oxido)amino)anilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657349	.	.	.	.	415.4	C22H17N5O4	120	707	3.6	31	2	6	4	"InChI=1S/C22H17N5O4/c28-20(14-23-16-10-12-17(13-11-16)27(30)31)25-26-21(15-6-2-1-3-7-15)24-19-9-5-4-8-18(19)22(26)29/h1-13,23H,14H2,(H,25,28)"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CNC4=CC=C(C=C4)[N+](=O)[O-]	JHVVRIIJOGGHPS-UHFFFAOYSA-N
DG54867	(3Z)-3-[[4-(4-bromophenyl)thiazol-2-yl]hydrazono]indolin-2-one	376515	"NSC657456; CHEMBL1976117; NCIMech_000748; SCHEMBL14075824; SCHEMBL23483657; BDBM50073624; CCG-35754; STL264333; STL357409; ZINC13465520; AKOS001065090; AKOS022138212; AKOS034466697; MCULE-3998681700; NSC-657456; NCI60_019943; AB00666882-01; SR-01000631088-1; Z56934796; (3Z)-3-[[4-(4-bromophenyl)thiazol-2-yl]hydrazono]indolin-2-one; 1H-Indole-2,3-dione 3-((4-(4-bromophenyl)-1,3-thiazol-2-yl)hydrazone); (3E)-1H-indole-2,3-dione 3-{[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazone}; 3-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazin-1-ylidene}-2,3-dihydro-1H-indol-2-one; (3E)-3-{(2Z)-[4-(4-bromophenyl)-1,3-thiazol-2(3H)-ylidene]hydrazinylidene}-1,3-dihydro-2H-indol-2-one; (3E)-3-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-1,3-dihydro-2H-indol-2-one; 3-{(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2(3H)-yliden]hydrazono}-1,3-dihydro-2H-indol-2-one; 61054-51-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657456	.	.	.	.	399.3	C17H11BrN4OS	102	460	5.5	24	2	5	3	"InChI=1S/C17H11BrN4OS/c18-11-7-5-10(6-8-11)14-9-24-17(20-14)22-21-15-12-3-1-2-4-13(12)19-16(15)23/h1-9,19,23H"	C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=NC(=CS3)C4=CC=C(C=C4)Br	LWRSTFFKJJJWLI-UHFFFAOYSA-N
DG54868	NSC657501	376535	"[(5S,9R,10R,14R,23S,26R,27S,28R,32S,35R)-5,5',9,23,27,29-hexamethyl-10-(6-methylheptan-2-yl)spiro[31-oxa-2,20-diazadecacyclo[19.18.0.03,19.05,17.06,14.09,13.023,38.024,35.027,34.028,32]nonatriaconta-1,3(19),20-triene-30,2'-oxane]-26-yl] acetate; NSC657501; NSC-657501; NCI60_019970"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657501	.	.	.	.	851.3	C56H86N2O4	70.5	1700	14.7	62	0	6	7	"InChI=1S/C56H86N2O4/c1-31(2)12-11-13-33(4)40-18-19-41-38-16-14-36-24-45-47(28-53(36,8)42(38)21-22-52(40,41)7)57-46-25-37-15-17-39-43(54(37,9)29-48(46)58-45)27-50(61-35(6)59)55(10)44(39)26-49-51(55)34(5)56(62-49)23-20-32(3)30-60-56/h31-34,36-44,49-51H,11-30H2,1-10H3/t32 ,33 ,34 ,36 ,37 ,38-,39+,40+,41 ,42 ,43 ,44 ,49-,50+,51-,52+,53-,54-,55+,56 /m0/s1"	CC1CCC2(C([C@H]3[C@@H](O2)CC4[C@@]3([C@@H](CC5[C@H]4CCC6[C@@]5(CC7=NC8=C(C[C@]9(C(C8)CC[C@@H]2C9CC[C@]3(C2CC[C@@H]3C(C)CCCC(C)C)C)C)N=C7C6)C)OC(=O)C)C)C)OC1	ZDDWUUPJCDBABV-KJELKZOYSA-N
DG54869	"Benzo[1,3-b']dithiophene-4,8-dione, 3,7-bis(acetyl)-"	376542	"NSC657547; NCIMech_000751; CHEMBL1969898; ZINC1636040; CCG-35821; NSC-657547; NCI60_019973; Benzo[1,3-b']dithiophene-4,8-dione, 3,7-bis(acetyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657547	.	.	.	.	304.3	C14H8O4S2	125	469	2.3	20	0	6	2	"InChI=1S/C14H8O4S2/c1-5(15)7-3-19-13-9(7)11(17)14-10(12(13)18)8(4-20-14)6(2)16/h3-4H,1-2H3"	CC(=O)C1=CSC2=C1C(=O)C3=C(C2=O)C(=CS3)C(=O)C	OLPKQNGXYIVIEM-UHFFFAOYSA-N
DG54870	"2,7-Bis(1-acetoxyethyl)benzo[1,2-b:4,5-b']dithiophene-4,8-dione"	376543	"NSC657548; CHEMBL139881; SCHEMBL6995578; NSC-657548; NCI60_019974; 2,7-Bis(1-acetoxyethyl)benzo[1,2-b:4,5-b']dithiophene-4,8-dione; 2,7-Bis(1'-acetoxyethyl)-4,8-dihydrobenzo [1,2-b:4,5-b']dithiophene-4,8-dione; 2,7-Bis(1'-acetoxyethyl)-4,8-dihydrobenzo[1,2-b:4,5-b']dithiophene-4,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657548	.	.	.	.	392.4	C18H16O6S2	143	635	3.1	26	0	8	6	"InChI=1S/C18H16O6S2/c1-7(23-9(3)19)12-6-25-18-14(12)16(22)17-11(15(18)21)5-13(26-17)8(2)24-10(4)20/h5-8H,1-4H3"	CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)SC=C3C(C)OC(=O)C)OC(=O)C	YTSZWYKKYYULHX-UHFFFAOYSA-N
DG54871	(3Z)-3-[(4-phenylthiazol-2-yl)hydrazono]indolin-2-one	376575	"NSC657587; CHEMBL1976450; SCHEMBL23483910; BDBM50073649; STK264905; STL112174; ZINC18208737; AKOS002232855; AKOS003333718; AKOS005738282; MCULE-9931169928; NSC-657587; NCI60_020003; AB00666881-01; (3Z)-3-[(4-phenylthiazol-2-yl)hydrazono]indolin-2-one; (3Z)-3-[2-(4-Phenyl-2-thiazolyl)hydrazono]-1H-indole-2(3H)-one; 1H-Indole-2,3-dione 3-((4-phenyl-1,3-thiazol-2-yl)hydrazone); (3E)-3-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]-3H-indol-2-ol; 3-[(E)-2-(4-Phenyl-1,3-thiazol-2-yl)hydrazin-1-ylidene]indolin-2-one; (3Z)-1H-indole-2,3-dione 3-{[(2E)-4-phenyl-1,3-thiazol-2(3H)-ylidene]hydrazone}; (3Z)-3-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657587	.	.	.	.	320.4	C17H12N4OS	102	429	4.8	23	2	5	3	"InChI=1S/C17H12N4OS/c22-16-15(12-8-4-5-9-13(12)18-16)20-21-17-19-14(10-23-17)11-6-2-1-3-7-11/h1-10,18,22H"	C1=CC=C(C=C1)C2=CSC(=N2)N=NC3=C(NC4=CC=CC=C43)O	BCGBRIYJZICEFD-UHFFFAOYSA-N
DG54872	"(3Z)-3-[[4-(3,4-dichlorophenyl)thiazol-2-yl]hydrazono]indolin-2-one"	376577	"NSC657589; CHEMBL2004881; SCHEMBL13498706; SCHEMBL23483722; ZINC17221848; NSC-657589; NCI60_020005; 1H-Indol-2(3H)-one,4-dichlorophenyl)-2-thiazolyl]hydrazono-; 1H-Indol-2(3H)-one,4-dichlorophenyl)-2-thiazolyl] monohydrazone; (3Z)-3-[[4-(3,4-dichlorophenyl)thiazol-2-yl]hydrazono]indolin-2-one; 1H-Indole-2,3-dione 3-((4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl)hydrazone)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657589	.	.	.	.	389.3	C17H10Cl2N4OS	102	499	6.1	25	2	5	3	"InChI=1S/C17H10Cl2N4OS/c18-11-6-5-9(7-12(11)19)14-8-25-17(21-14)23-22-15-10-3-1-2-4-13(10)20-16(15)24/h1-8,20,24H"	C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=NC(=CS3)C4=CC(=C(C=C4)Cl)Cl	YFMNXGKRBKNNST-UHFFFAOYSA-N
DG54873	"4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxobutanamide"	376612	"NSC657643; 4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxobutanamide; CHEMBL2000751; ZINC102986484; NSC-657643; NCI60_020039; 4-[2-(2-chloroanilino)-4-methyl-thiazol-5-yl]-2,4-dioxo-butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657643	.	.	.	.	337.8	C14H12ClN3O3S	130	463	2.8	22	2	6	6	"InChI=1S/C14H12ClN3O3S/c1-7-12(10(19)6-11(20)13(16)21)22-14(17-7)18-9-5-3-2-4-8(9)15/h2-5H,6H2,1H3,(H2,16,21)(H,17,18)"	CC1=C(SC(=N1)NC2=CC=CC=C2Cl)C(=O)CC(=O)C(=O)N	AJPLHGQVYQXUJH-UHFFFAOYSA-N
DG54874	"2,6-dimethyl-N3,N5-diphenethyl-1,4-dihydropyridine-3,5-dicarboxamide"	376614	"NSC657645; CHEMBL2003121; ZINC31852460; NSC-657645; NCI60_020041; 2,6-dimethyl-N3,N5-diphenethyl-1,4-dihydropyridine-3,5-dicarboxamide; 2,6-Dimethyl-N~3~,N~5~-bis(2-phenylethyl)-1,4-dihydro-3,5-pyridinedicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657645	.	.	.	.	403.5	C25H29N3O2	70.2	612	3.9	30	3	3	8	"InChI=1S/C25H29N3O2/c1-18-22(24(29)26-15-13-20-9-5-3-6-10-20)17-23(19(2)28-18)25(30)27-16-14-21-11-7-4-8-12-21/h3-12,28H,13-17H2,1-2H3,(H,26,29)(H,27,30)"	CC1=C(CC(=C(N1)C)C(=O)NCCC2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3	VKTUFNNMMNZCFS-UHFFFAOYSA-N
DG54875	(1E)-1-hydroxyimino-4-(3-pyridylamino)naphthalen-2-one	376615	"NSC657646; CHEMBL1973815; ZINC102947680; ZINC104301093; NSC-657646; NCI60_020042; (1E)-1-hydroxyimino-4-(3-pyridylamino)naphthalen-2-one; 1,2-Naphthalenedione, 4-(3-pyridinylamino)-, 1-oxime, (1E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657646	.	.	.	.	265.27	C15H11N3O2	74.6	339	3.2	20	2	5	2	"InChI=1S/C15H11N3O2/c19-14-8-13(17-10-4-3-7-16-9-10)11-5-1-2-6-12(11)15(14)18-20/h1-9,17,19H"	C1=CC=C2C(=C1)C(=CC(=C2N=O)O)NC3=CN=CC=C3	VRYAIKWDPUUMIG-UHFFFAOYSA-N
DG54876	1-(hydroxyamino)-4-(4-methylanilino)-1H-naphthalen-2-one	376651	NSC657681; CHEMBL1993760; 1-(hydroxyamino)-4-(4-methylanilino)-1H-naphthalen-2-one; NSC-657681; NCI60_020064; 1-(Hydroxyamino)-4-(4-toluidino)-2(1H)-naphthalenone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657681	.	.	.	.	280.32	C17H16N2O2	61.4	413	3.3	21	3	4	3	"InChI=1S/C17H16N2O2/c1-11-6-8-12(9-7-11)18-15-10-16(20)17(19-21)14-5-3-2-4-13(14)15/h2-10,17-19,21H,1H3"	CC1=CC=C(C=C1)NC2=CC(=O)C(C3=CC=CC=C32)NO	HYSNDMOITNEWGL-UHFFFAOYSA-N
DG54877	N-(o-tolyl)-2-[2-[(2Z)-2-(2-oxoindolin-3-ylidene)hydrazino]thiazol-4-yl]acetamide	376659	"NSC657705; CHEMBL1984474; ZINC17221920; NSC-657705; NCI60_020072; N-(o-tolyl)-2-[2-[(2Z)-2-(2-oxoindolin-3-ylidene)hydrazino]thiazol-4-yl]acetamide; N-(2-Methylphenyl)-2-(2-(2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino)-1,3-thiazol-4-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657705	.	.	.	.	391.4	C20H17N5O2S	131	577	4.3	28	3	6	5	"InChI=1S/C20H17N5O2S/c1-12-6-2-4-8-15(12)22-17(26)10-13-11-28-20(21-13)25-24-18-14-7-3-5-9-16(14)23-19(18)27/h2-9,11,23,27H,10H2,1H3,(H,22,26)"	CC1=CC=CC=C1NC(=O)CC2=CSC(=N2)N=NC3=C(NC4=CC=CC=C43)O	SDJLRUIZKOGSLL-UHFFFAOYSA-N
DG54878	"3-(2-Chloro-phenyl)-3-(2-chloro-phenylmethanesulfonyl)-N-(2,6-dimethyl-phenyl)-2-oxo-propionamide"	376677	"NSC657722; CHEMBL1991031; NSC-657722; 3-(2-Chloro-phenyl)-3-(2-chloro-phenylmethanesulfonyl)-N-(2,6-dimethyl-phenyl)-2-oxo-propionamide; NCI60_020089; 3-(2-chlorobenzylsulfonyl)-3-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-2-oxopropanamide; 3-(2-chlorophenyl)-3-[(2-chlorophenyl)methylsulfonyl]-N-(2,6-dimethylphenyl)-2-oxo-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657722	.	.	.	.	490.4	C24H21Cl2NO4S	88.7	759	5.6	32	1	4	7	"InChI=1S/C24H21Cl2NO4S/c1-15-8-7-9-16(2)21(15)27-24(29)22(28)23(18-11-4-6-13-20(18)26)32(30,31)14-17-10-3-5-12-19(17)25/h3-13,23H,14H2,1-2H3,(H,27,29)"	CC1=C(C(=CC=C1)C)NC(=O)C(=O)C(C2=CC=CC=C2Cl)S(=O)(=O)CC3=CC=CC=C3Cl	MFERXJLGXFFSND-UHFFFAOYSA-N
DG54879	3-(Benzylsulfonyl)-2-oxo-3-phenylpropanamide	376681	NSC657725; 3-(Benzylsulfonyl)-2-oxo-3-phenylpropanamide; CHEMBL1972035; NSC-657725; NCI60_020091; 3-benzylsulfonyl-2-oxo-3-phenyl-propanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657725	.	.	.	.	317.4	C16H15NO4S	103	497	1.6	22	1	4	6	"InChI=1S/C16H15NO4S/c17-16(19)14(18)15(13-9-5-2-6-10-13)22(20,21)11-12-7-3-1-4-8-12/h1-10,15H,11H2,(H2,17,19)"	C1=CC=C(C=C1)CS(=O)(=O)C(C2=CC=CC=C2)C(=O)C(=O)N	LCKONQIIZYWIMG-UHFFFAOYSA-N
DG54880	"1-Methyl-2,5-di(2-thienyl)-3-(3-thienyl)-1H-pyrrole"	376720	"NSC657766; 1-Methyl-2,5-di(2-thienyl)-3-(3-thienyl)-1H-pyrrole; CHEMBL1980919; NSC-657766; NCI60_020124; 1-methyl-2,5-bis(2-thienyl)-3-(3-thienyl)pyrrole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657766	.	.	.	.	327.5	C17H13NS3	89.6	364	4.7	21	0	3	3	"InChI=1S/C17H13NS3/c1-18-14(15-4-2-7-20-15)10-13(12-6-9-19-11-12)17(18)16-5-3-8-21-16/h2-11H,1H3"	CN1C(=CC(=C1C2=CC=CS2)C3=CSC=C3)C4=CC=CS4	XHJQUARKQLCLFF-UHFFFAOYSA-N
DG54881	"1-Methyl-5-(2-thienyl)-2,3-di(3-thienyl)-1H-pyrrole"	376721	"NSC657767; 1-Methyl-5-(2-thienyl)-2,3-di(3-thienyl)-1H-pyrrole; CHEMBL1990537; ZINC1636197; NSC-657767; NCI60_020125; 1-methyl-5-(2-thienyl)-2,3-bis(3-thienyl)pyrrole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657767	.	.	.	.	327.5	C17H13NS3	89.6	364	4.7	21	0	3	3	"InChI=1S/C17H13NS3/c1-18-15(16-3-2-6-21-16)9-14(12-4-7-19-10-12)17(18)13-5-8-20-11-13/h2-11H,1H3"	CN1C(=CC(=C1C2=CSC=C2)C3=CSC=C3)C4=CC=CS4	MIGASLJKTIWJML-UHFFFAOYSA-N
DG54882	"2,5-Bis(2-thienyl)-3-(3-thienyl)thiophene"	376722	"NSC657768; 2,5-bis(2-thienyl)-3-(3-thienyl)thiophene; CHEMBL1964673; SCHEMBL13857515; NSC-657768; NCI60_020126; 2,5-Bis(thiophen-2-yl)-3-(thiophen-3-yl)thiophene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657768	.	.	.	.	330.5	C16H10S4	113	334	5.7	20	0	4	3	InChI=1S/C16H10S4/c1-3-13(18-6-1)15-9-12(11-5-8-17-10-11)16(20-15)14-4-2-7-19-14/h1-10H	C1=CSC(=C1)C2=CC(=C(S2)C3=CC=CS3)C4=CSC=C4	PKJBFYBPHBGGLX-UHFFFAOYSA-N
DG54883	"5-(2-Thienyl)-2,3-bis(3-thienyl)thiophene"	376723	"NSC657769; 5-(2-thienyl)-2,3-bis(3-thienyl)thiophene; CHEMBL1972590; NSC-657769; NCI60_020127; 2,3-Bis(thiophen-3-yl)-5-(thiophen-2-yl)thiophene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657769	.	.	.	.	330.5	C16H10S4	113	334	5.6	20	0	4	3	InChI=1S/C16H10S4/c1-2-14(19-5-1)15-8-13(11-3-6-17-9-11)16(20-15)12-4-7-18-10-12/h1-10H	C1=CSC(=C1)C2=CC(=C(S2)C3=CSC=C3)C4=CSC=C4	GGLWFORHSXEDQX-UHFFFAOYSA-N
DG54884	"2,3,5-Tris(2-thienyl)thiophene"	376724	"2,3,5-tris(2-thienyl)thiophene; NSC657770; CHEMBL1972518; 2,3,5-tri(thiophen-2-yl)thiophene; NSC-657770; NCI60_020128"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657770	.	.	.	.	330.5	C16H10S4	113	334	5.7	20	0	4	3	InChI=1S/C16H10S4/c1-4-12(17-7-1)11-10-15(13-5-2-8-18-13)20-16(11)14-6-3-9-19-14/h1-10H	C1=CSC(=C1)C2=CC(=C(S2)C3=CC=CS3)C4=CC=CS4	DCPXRPFZUQQHBW-UHFFFAOYSA-N
DG54885	8-Hydroxybicyclo[3.3.1]non-6-en-3-one	376749	NSC657803; 8-Hydroxybicyclo[3.3.1]non-6-en-3-one; 4-hydroxybicyclo[3.3.1]non-2-en-7-one; CHEMBL1968036; NSC-657803; Bicyclo[3.3.1]non-3-en-2-ol-7-one; NCI60_020146	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657803	.	.	.	.	152.19	C9H12O2	37.3	208	0.1	11	1	2	0	"InChI=1S/C9H12O2/c10-8-4-6-1-2-9(11)7(3-6)5-8/h1-2,6-7,9,11H,3-5H2"	C1C2CC(=O)CC1C(C=C2)O	PEVQSKXVVDPQIT-UHFFFAOYSA-N
DG54886	8-Methyl-2-oxo-8-azabicyclo[3.2.1]oct-3-ene-6-carbonitrile	376753	NSC657812; NSC657809; 8-Methyl-2-oxo-8-azabicyclo[3.2.1]oct-3-ene-6-carbonitrile; CHEMBL1970994; NSC-657809; NSC-657812; NCI60_020152; NCI60_020155; N-Methyl-6-(endo)-cyano[3.2.1]-8-azabicyclooct-3-en-2-one; N-Methyl-6-(exo)-cyano[3.2.1]-8-azabicyclooct-3-en-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657809	.	.	.	.	162.19	C9H10N2O	44.1	299	0.1	12	0	3	0	"InChI=1S/C9H10N2O/c1-11-7-2-3-9(12)8(11)4-6(7)5-10/h2-3,6-8H,4H2,1H3"	CN1C2CC(C1C=CC2=O)C#N	QDBIHSMOIHGMLN-UHFFFAOYSA-N
DG54887	8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile	376754	NSC657811; 8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile; CHEMBL1975316; NSC657810; NSC-657810; NSC-657811; NCI60_020153; NCI60_020154; N-Methyl-7-(endo)-cyano[3.2.1]-8-azabicyclooct-3-en-2-one; N-Methyl-7-(exo)-cyano[3.2.1]-8-azabicyclooct-3-en-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657810	.	.	.	.	162.19	C9H10N2O	44.1	299	0.1	12	0	3	0	"InChI=1S/C9H10N2O/c1-11-7-2-3-8(12)9(11)6(4-7)5-10/h2-3,6-7,9H,4H2,1H3"	CN1C2CC(C1C(=O)C=C2)C#N	KBTKKJKGYHXAOU-UHFFFAOYSA-N
DG54888	"(1R)-3,3-Dibromocamphor"	376765	"3,3-dibromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one; (1R)-3,3-Dibromocamphor; Dibromcampher; alpha-Dibromocamphor; NSC657822; CHEMBL1987296; MCULE-7190672008; NSC-657822; NCI60_020165; AE-562/12222034"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657822	.	.	.	.	310.03	C10H14Br2O	17.1	283	3.6	13	0	1	0	"InChI=1S/C10H14Br2O/c1-8(2)6-4-5-9(8,3)7(13)10(6,11)12/h6H,4-5H2,1-3H3"	CC1(C2CCC1(C(=O)C2(Br)Br)C)C	OFAQZCPBQBALHS-UHFFFAOYSA-N
DG54889	"6-(Benzyloxy)-5-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one"	376767	"NSC657827; NSC657824; 6-(Benzyloxy)-5-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one; CHEMBL1969581; NSC-657824; NSC-657827; NCI60_020167; NCI60_020170; (1R)-5-endo-Bromo-6-exo-benzyloxycamphor; (1R)-5-endo-Bromo-6-endo-benzoyloxycamphor; 6-benzyloxy-5-bromo-1,7,7-trimethyl-norbornan-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657827	.	.	.	.	337.3	C17H21BrO2	26.3	400	3.5	20	0	2	3	"InChI=1S/C17H21BrO2/c1-16(2)12-9-13(19)17(16,3)15(14(12)18)20-10-11-7-5-4-6-8-11/h4-8,12,14-15H,9-10H2,1-3H3"	CC1(C2CC(=O)C1(C(C2Br)OCC3=CC=CC=C3)C)C	NLGHJXPXSDXPOH-UHFFFAOYSA-N
DG54890	3-((Hydroxymethoxy)methyl)-3-buten-2-one	376773	NSC657833; 3-((Hydroxymethoxy)methyl)-3-buten-2-one; 3-(hydroxymethoxymethyl)but-3-en-2-one; CHEMBL2001162; ZINC1636251; NSC-657833; 3-(Hydroxymethoxymethyl)-3-butene-2-one; NCI60_020176	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657833	.	.	.	.	130.139	C6H10O3	46.5	118	-0.4	9	1	3	4	"InChI=1S/C6H10O3/c1-5(6(2)8)3-9-4-7/h7H,1,3-4H2,2H3"	CC(=O)C(=C)COCO	PFZCPPGGKUTDPG-UHFFFAOYSA-N
DG54891	3-(((tert-Butyl(dimethyl)silyl)oxy)methyl)-3-buten-2-one	376774	NSC657834; 3-(((tert-Butyl(dimethyl)silyl)oxy)methyl)-3-buten-2-one; 3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-en-2-one; CHEMBL1986104; NSC-657834; NCI60_020177; 3-(tert-Butyldimethylsiloxymethyl)-3-butene-2-one; 3-(tert-Butyldimethylsilyloxymethyl)-3-butene-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657834	.	.	.	.	214.38	C11H22O2Si	26.3	236	.	14	0	2	5	"InChI=1S/C11H22O2Si/c1-9(10(2)12)8-13-14(6,7)11(3,4)5/h1,8H2,2-7H3"	CC(=O)C(=C)CO[Si](C)(C)C(C)(C)C	AJZPQWIBTBMING-UHFFFAOYSA-N
DG54892	"3-Formyl-8,8-dimethylbicyclo[3.2.1]octan-2-one"	376778	"NSC657838; 3-Formyl-8,8-dimethylbicyclo[3.2.1]octan-2-one; CHEMBL2005057; NSC-657838; NCI60_020181; 8,8-Dimethyl-2-oxobicyclo[3.2.1]octane-3-carbaldehyde; 8,8-dimethyl-4-oxo-bicyclo[3.2.1]octane-3-carbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657838	.	.	.	.	180.24	C11H16O2	34.1	255	1.9	13	0	2	1	"InChI=1S/C11H16O2/c1-11(2)8-3-4-9(11)10(13)7(5-8)6-12/h6-9H,3-5H2,1-2H3"	CC1(C2CCC1C(=O)C(C2)C=O)C	LNGFSNVHOAMMOV-UHFFFAOYSA-N
DG54893	N-[N-benzoyl-S-(trichloromethyl)sulfinimidoyl]benzamide	376807	NSC657924; CHEMBL1987327; NSC-657924; NCI60_020198	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657924	.	.	.	.	389.7	C15H11Cl3N2O2S	77.7	468	6.4	23	1	3	3	"InChI=1S/C15H11Cl3N2O2S/c16-15(17,18)23(19-13(21)11-7-3-1-4-8-11)20-14(22)12-9-5-2-6-10-12/h1-10H,(H,19,20,21,22)"	C1=CC=C(C=C1)C(=O)NS(=NC(=O)C2=CC=CC=C2)C(Cl)(Cl)Cl	PRXZNQAZBSDMHG-UHFFFAOYSA-N
DG54894	N-[N-acetyl-S-(trichloromethyl)sulfinimidoyl]-4-methyl-benzamide	376814	NSC657931; CHEMBL2005236; NSC-657931; NCI60_020205; N-(Acetyl(trichloromethyl)sulfinimidoyl)-4-methylbenzamide; N-[N-acetyl-S-(trichloromethyl)sulfinimidoyl]-4-methyl-benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657931	.	.	.	.	341.6	C11H11Cl3N2O2S	77.7	388	5.1	19	1	3	2	"InChI=1S/C11H11Cl3N2O2S/c1-7-3-5-9(6-4-7)10(18)16-19(11(12,13)14)15-8(2)17/h3-6H,1-2H3,(H,15,16,17,18)"	CC1=CC=C(C=C1)C(=O)NS(=NC(=O)C)C(Cl)(Cl)Cl	NGBCICVEPBKRJQ-UHFFFAOYSA-N
DG54895	"(4-Chlorophenyl)-[6-imino-3-methyl-4-(2-nitrophenyl)-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]methanone"	376852	"NSC657971; CHEMBL1996128; NSC-657971; {4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine,} 1-(4-chlorobenzoyl- 3-methyl-4-(2-nitrophenyl)-; NCI60_020231; 4H-Pyrazolo[3,3]thiazin-6-amine, 1-(4-chlorobenzoyl- 3-methyl-4-(2-nitrophenyl)-; (4-chlorophenyl)-[6-imino-3-methyl-4-(2-nitrophenyl)-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]methanone; 1-(4-Chlorobenzoyl)-4-(2-(hydroxy(oxido)amino)phenyl)-6-imino-3-methyl-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657971	.	.	.	.	427.9	C19H14ClN5O3S	144	681	4	29	1	6	2	"InChI=1S/C19H14ClN5O3S/c1-10-15-16(13-4-2-3-5-14(13)25(27)28)29-19(21)22-17(15)24(23-10)18(26)11-6-8-12(20)9-7-11/h2-9,16H,1H3,(H2,21,22)"	CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl	QBZPGNXXOLBQBP-UHFFFAOYSA-N
DG54896	"4-(1-(4-Chlorobenzoyl)-6-imino-3-methyl-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-2-methoxyphenol"	376854	"NSC657973; CHEMBL1982969; AKOS015896427; NSC-657973; 4-(1-(4-Chlorobenzoyl)-6-imino-3-methyl-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-2-methoxyphenol; NCI60_020233; FT-0651761; A807804; (4-chlorophenyl)-[4-(4-hydroxy-3-methoxy-phenyl)-6-imino-3-methyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]methanone; (4R,6S,E)-6-[2-[2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]vinyl]tetrahydro-4-hydroxypyran-2-one; {4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine,} 1-(4-chlorobenzoyl)- 4-(4-hydroxy-3-methoxyphenyl)-3-methyl-; 4H-Pyrazolo[3,3]thiazin-6-amine, 1-(4-chlorobenzoyl)- 4-(4-hydroxy-3-methoxyphenyl)-3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657973	.	.	.	.	428.9	C20H17ClN4O3S	128	645	3.8	29	2	6	3	"InChI=1S/C20H17ClN4O3S/c1-10-16-17(12-5-8-14(26)15(9-12)28-2)29-20(22)23-18(16)25(24-10)19(27)11-3-6-13(21)7-4-11/h3-9,17,26H,1-2H3,(H2,22,23)"	CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=C(C=C3)O)OC)C(=O)C4=CC=C(C=C4)Cl	YQCPMTMMHBHNSH-UHFFFAOYSA-N
DG54897	"2-((6-Imino-3-methyl-4-phenyl-6,7-dihydropyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)carbonyl)phenol"	376869	"NSC657989; CHEMBL1996676; NSC-657989; 2-((6-Imino-3-methyl-4-phenyl-6,7-dihydropyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)carbonyl)phenol; NCI60_020248; {4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine,} 1-(2- hydroxybenzoyl)-3-methyl-4-phenyl-; 4H-Pyrazolo[3,3]thiazin-6-amine, 1-(2- hydroxybenzoyl)-3-methyl-4-phenyl-; (2-hydroxyphenyl)-(6-imino-3-methyl-4-phenyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657989	.	.	.	.	364.4	C19H16N4O2S	119	566	3.8	26	2	5	2	"InChI=1S/C19H16N4O2S/c1-11-15-16(12-7-3-2-4-8-12)26-19(20)21-17(15)23(22-11)18(25)13-9-5-6-10-14(13)24/h2-10,16,24H,1H3,(H2,20,21)"	CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3)C(=O)C4=CC=CC=C4O	BVSPERARIJIAHO-UHFFFAOYSA-N
DG54898	"2-((4-(2-Hydroxyphenyl)-6-imino-3-methyl-6,7-dihydropyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)carbonyl)phenol"	376870	"NSC657990; CHEMBL2002781; NSC-657990; 2-((4-(2-Hydroxyphenyl)-6-imino-3-methyl-6,7-dihydropyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)carbonyl)phenol; NCI60_020249; 4H-Pyrazolo[3,3]thiazin-6-amine, 1-(2-hydroxybenzoyl)-4-(2-hydroxyphenyl)-3-methyl-; (2-hydroxyphenyl)-[4-(2-hydroxyphenyl)-6-imino-3-methyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]methanone; {4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine,} 1-(2-hydroxybenzoyl)-4-(2-hydroxyphenyl)-3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657990	.	.	.	.	380.4	C19H16N4O3S	139	604	3.4	27	3	6	2	"InChI=1S/C19H16N4O3S/c1-10-15-16(11-6-2-4-8-13(11)24)27-19(20)21-17(15)23(22-10)18(26)12-7-3-5-9-14(12)25/h2-9,16,24-25H,1H3,(H2,20,21)"	CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3O)C(=O)C4=CC=CC=C4O	UNSFDNVPARPKIO-UHFFFAOYSA-N
DG54899	"2-((6-Imino-4-(4-methoxyphenyl)-3-methyl-6,7-dihydropyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)carbonyl)phenol"	376871	"NSC657991; CHEMBL1979569; NSC-657991; 2-((6-Imino-4-(4-methoxyphenyl)-3-methyl-6,7-dihydropyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)carbonyl)phenol; NCI60_020250; 4H-Pyrazolo[3,3]thiazin-6-amine, 1-(2-hydroxybenzoyl)-4-(4-methoxyphenyl)-3-methyl-; (2-hydroxyphenyl)-[6-imino-4-(4-methoxyphenyl)-3-methyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]methanone; {4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine,} 1-(2-hydroxybenzoyl)-4-(4-methoxyphenyl)-3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657991	.	.	.	.	394.4	C20H18N4O3S	128	610	3.7	28	2	6	3	"InChI=1S/C20H18N4O3S/c1-11-16-17(12-7-9-13(27-2)10-8-12)28-20(21)22-18(16)24(23-11)19(26)14-5-3-4-6-15(14)25/h3-10,17,25H,1-2H3,(H2,21,22)"	CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)OC)C(=O)C4=CC=CC=C4O	QBIUUJPBCDSNOS-UHFFFAOYSA-N
DG54900	"(2-Hydroxyphenyl)-[6-imino-3-methyl-4-(4-nitrophenyl)-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]methanone"	376872	"NSC657992; CHEMBL1966410; NSC-657992; NCI60_020251; 4H-Pyrazolo[3,3]thiazin-6-amine, 1-(2- hydroxybenzoyl)-3-methyl-4-(4-nitrophenyl)-; (2-hydroxyphenyl)-[6-imino-3-methyl-4-(4-nitrophenyl)-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]methanone; {4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine,} 1-(2- hydroxybenzoyl)-3-methyl-4-(4-nitrophenyl)-; 2-((4-(4-(Hydroxy(oxido)amino)phenyl)-6-imino-3-methyl-6,7-dihydropyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)carbonyl)phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657992	.	.	.	.	409.4	C19H15N5O4S	165	678	3.6	29	2	7	2	"InChI=1S/C19H15N5O4S/c1-10-15-16(11-6-8-12(9-7-11)24(27)28)29-19(20)21-17(15)23(22-10)18(26)13-4-2-3-5-14(13)25/h2-9,16,25H,1H3,(H2,20,21)"	CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4O	RVAHGYUSMDBODJ-UHFFFAOYSA-N
DG54901	"2-((4-(4-Hydroxyphenyl)-6-imino-3-methyl-6,7-dihydropyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)carbonyl)phenol"	376873	"NSC657993; (6-Amino-4-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)(2-hydroxyphenyl)methanone; 908809-77-8; CHEMBL1976598; NSC-657993; 2-((4-(4-Hydroxyphenyl)-6-imino-3-methyl-6,7-dihydropyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)carbonyl)phenol; NCI60_020252; 4H-Pyrazolo[3,3]thiazin-6-amine, 1-(2-hydroxybenzoyl)-4-(4-hydroxyphenyl)- 3-methyl-; (2-hydroxyphenyl)-[4-(4-hydroxyphenyl)-6-imino-3-methyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]methanone; {4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine,} 1-(2-hydroxybenzoyl)-4-(4-hydroxyphenyl)- 3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657993	.	.	.	.	380.4	C19H16N4O3S	139	596	3.4	27	3	6	2	"InChI=1S/C19H16N4O3S/c1-10-15-16(11-6-8-12(24)9-7-11)27-19(20)21-17(15)23(22-10)18(26)13-4-2-3-5-14(13)25/h2-9,16,24-25H,1H3,(H2,20,21)"	CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)O)C(=O)C4=CC=CC=C4O	BBTFCDQMNLYHNV-UHFFFAOYSA-N
DG54902	"2-((6-Imino-4-(3-methoxyphenyl)-3-methyl-6,7-dihydropyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)carbonyl)phenol"	376874	"NSC657994; 2-((6-Imino-4-(3-methoxyphenyl)-3-methyl-6,7-dihydropyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)carbonyl)phenol; CHEMBL1985745; NSC-657994; NCI60_020253; 4-H-Pyrazolo[3,3]thiazin-6-amine, 1-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)-3-methyl-; (2-hydroxyphenyl)-[6-imino-4-(3-methoxyphenyl)-3-methyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]methanone; {4-H-Pyrazolo[3,4][1,3]thiazin-6-amine,} 1-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)-3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657994	.	.	.	.	394.4	C20H18N4O3S	128	618	3.7	28	2	6	3	"InChI=1S/C20H18N4O3S/c1-11-16-17(12-6-5-7-13(10-12)27-2)28-20(21)22-18(16)24(23-11)19(26)14-8-3-4-9-15(14)25/h3-10,17,25H,1-2H3,(H2,21,22)"	CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=CC=C3)OC)C(=O)C4=CC=CC=C4O	BDYGXBHZVFIJOH-UHFFFAOYSA-N
DG54903	"4-(1-(2-Hydroxybenzoyl)-6-imino-3-methyl-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-2-methoxyphenol"	376875	"NSC657995; CHEMBL1996916; NSC-657995; 4-(1-(2-Hydroxybenzoyl)-6-imino-3-methyl-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-2-methoxyphenol; NCI60_020254; [4-(4-hydroxy-3-methoxy-phenyl)-6-imino-3-methyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]-(2-hydroxyphenyl)methanone; {4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine,} 1-(2-hydroxybenzoyl)-4-(4-hydroxy-3-methoxyphenyl)- 3-methyl-; 4H-Pyrazolo[3,3]thiazin-6-amine, 1-(2-hydroxybenzoyl)-4-(4-hydroxy-3-methoxyphenyl)- 3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657995	.	.	.	.	410.4	C20H18N4O4S	148	650	3.4	29	3	7	3	"InChI=1S/C20H18N4O4S/c1-10-16-17(11-7-8-14(26)15(9-11)28-2)29-20(21)22-18(16)24(23-10)19(27)12-5-3-4-6-13(12)25/h3-9,17,25-26H,1-2H3,(H2,21,22)"	CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=C(C=C3)O)OC)C(=O)C4=CC=CC=C4O	UVLQPYUTFKQYTA-UHFFFAOYSA-N
DG54904	"4-(1-(2-Hydroxybenzoyl)-6-imino-3-methyl-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-1,3-benzenediol"	376876	"NSC657996; 4-(1-(2-Hydroxybenzoyl)-6-imino-3-methyl-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-1,3-benzenediol; CHEMBL1994796; NSC-657996; NCI60_020255; 4H-Pyrazolo[3,3]thiazin-6-amine, 4-(2,4-dihydroxy phenyl)-1-(2-hydroxyphenyl)-3-methyl-; [4-(2,4-dihydroxyphenyl)-6-imino-3-methyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]-(2-hydroxyphenyl)methanone; {4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine,} 4-(2,4-dihydroxy phenyl)-1-(2-hydroxyphenyl)-3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657996	.	.	.	.	396.4	C19H16N4O4S	159	635	3.1	28	4	7	2	"InChI=1S/C19H16N4O4S/c1-9-15-16(11-7-6-10(24)8-14(11)26)28-19(20)21-17(15)23(22-9)18(27)12-4-2-3-5-13(12)25/h2-8,16,24-26H,1H3,(H2,20,21)"	CC1=NN(C2=C1C(SC(=N2)N)C3=C(C=C(C=C3)O)O)C(=O)C4=CC=CC=C4O	SXLNKLVZGMPPQR-UHFFFAOYSA-N
DG54905	"2-((6-Imino-3-methyl-4-(4-methylphenyl)-6,7-dihydropyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)carbonyl)phenol"	376879	"NSC657999; CHEMBL1996145; NSC-657999; 2-((6-Imino-3-methyl-4-(4-methylphenyl)-6,7-dihydropyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)carbonyl)phenol; NCI60_020258; 4H-Pyrazolo[3,3]thiazin-6-amine, 1-(2-hydroxybenzoyl)-3-methyl-4-(4-methylphenyl)-; (2-hydroxyphenyl)-[6-imino-3-methyl-4-(p-tolyl)-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]methanone; {4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine,} 1-(2-hydroxybenzoyl)-3-methyl-4-(4-methylphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657999	.	.	.	.	378.4	C20H18N4O2S	119	593	4.1	27	2	5	2	"InChI=1S/C20H18N4O2S/c1-11-7-9-13(10-8-11)17-16-12(2)23-24(18(16)22-20(21)27-17)19(26)14-5-3-4-6-15(14)25/h3-10,17,25H,1-2H3,(H2,21,22)"	CC1=CC=C(C=C1)C2C3=C(N=C(S2)N)N(N=C3C)C(=O)C4=CC=CC=C4O	QSQVZOUDJRPDFI-UHFFFAOYSA-N
DG54906	"2-(1-(2-Hydroxybenzoyl)-6-imino-3-methyl-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-1-naphthol"	376881	"NSC658001; CHEMBL1966439; NSC-658001; 2-(1-(2-Hydroxybenzoyl)-6-imino-3-methyl-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-1-naphthol; NCI60_020260; [4-(1-hydroxy-2-naphthyl)-6-imino-3-methyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]-(2-hydroxyphenyl)methanone; {4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine,} 1-(2-hydroxybenzoyl)-4-(1-hydroxy-2-naphthalenyl)- 3-methyl-; 4H-Pyrazolo[3,3]thiazin-6-amine, 1-(2-hydroxybenzoyl)-4-(1-hydroxy-2-naphthalenyl)- 3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658001	.	.	.	.	430.5	C23H18N4O3S	139	721	4.7	31	3	6	2	"InChI=1S/C23H18N4O3S/c1-12-18-20(16-11-10-13-6-2-3-7-14(13)19(16)29)31-23(24)25-21(18)27(26-12)22(30)15-8-4-5-9-17(15)28/h2-11,20,28-29H,1H3,(H2,24,25)"	CC1=NN(C2=C1C(SC(=N2)N)C3=C(C4=CC=CC=C4C=C3)O)C(=O)C5=CC=CC=C5O	HUMLAPTUTYGIRN-UHFFFAOYSA-N
DG54907	"[1-(4-methoxyphenyl)-4-(methylcarbamoyloxymethyl)-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate"	376893	NSC658079; CHEMBL1982168; NSC-658079; NCI60_020272	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658079	.	.	.	.	349.4	C17H23N3O5	89.1	469	0.4	25	2	6	8	"InChI=1S/C17H23N3O5/c1-18-16(21)24-10-12-8-20(9-13(12)11-25-17(22)19-2)14-4-6-15(23-3)7-5-14/h4-7H,8-11H2,1-3H3,(H,18,21)(H,19,22)"	CNC(=O)OCC1=C(CN(C1)C2=CC=C(C=C2)OC)COC(=O)NC	OXHDYUBMCINMIS-UHFFFAOYSA-N
DG54908	"[5-methyl-4-(methylcarbamoyloxymethyl)-1-phenyl-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate"	376894	NSC658080; CHEMBL1979724; NSC-658080; NCI60_020273	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658080	.	.	.	.	333.4	C17H23N3O4	79.9	486	0.8	24	2	5	7	"InChI=1S/C17H23N3O4/c1-12-15(11-24-17(22)19-3)13(10-23-16(21)18-2)9-20(12)14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3,(H,18,21)(H,19,22)"	CC1C(=C(CN1C2=CC=CC=C2)COC(=O)NC)COC(=O)NC	WFFLUNZGDFAGMD-UHFFFAOYSA-N
DG54909	"[1-(4-methoxyphenyl)-5-methyl-4-(methylcarbamoyloxymethyl)-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate"	376895	NSC658081; CHEMBL1995889; NSC-658081; NCI60_020274	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658081	.	.	.	.	363.4	C18H25N3O5	89.1	529	0.8	26	2	6	8	"InChI=1S/C18H25N3O5/c1-12-16(11-26-18(23)20-3)13(10-25-17(22)19-2)9-21(12)14-5-7-15(24-4)8-6-14/h5-8,12H,9-11H2,1-4H3,(H,19,22)(H,20,23)"	CC1C(=C(CN1C2=CC=C(C=C2)OC)COC(=O)NC)COC(=O)NC	XZRNPSMHVKZAHY-UHFFFAOYSA-N
DG54910	"5H-Pyrrolizine-1, 6,7-dihydro-3-[[(1-oxobutoxy)methyl]-3-pyridinyl]-, bis(methylethyl)carbamate (diester), iodide"	376896	"NSC658082; CHEMBL1987888; NSC-658082; 5H-Pyrrolizine-1, 6,7-dihydro-3-[[(1-oxobutoxy)methyl]-3-pyridinyl]-, bis(methylethyl)carbamate (diester), iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658082	.	.	.	.	642.5	C27H39IN4O6	112	763	.	38	2	7	14	"InChI=1S/C27H38N4O6.HI/c1-6-9-24(32)37-17-30-12-7-10-20(14-30)25-22(16-36-27(34)29-19(4)5)21(23-11-8-13-31(23)25)15-35-26(33)28-18(2)3;/h7,10,12,14,18-19H,6,8-9,11,13,15-17H2,1-5H3,(H-,28,29,33,34);1H"	CCCC(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]	USPDFCXDRPWMNH-UHFFFAOYSA-N
DG54911	"[3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl hexanoate;iodide"	376898	NSC658084; CHEMBL1975575; NSC-658084	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658084	.	.	.	.	670.6	C29H43IN4O6	112	794	.	40	2	7	16	"InChI=1S/C29H42N4O6.HI/c1-6-7-8-13-26(34)39-19-32-14-9-11-22(16-32)27-24(18-38-29(36)31-21(4)5)23(25-12-10-15-33(25)27)17-37-28(35)30-20(2)3;/h9,11,14,16,20-21H,6-8,10,12-13,15,17-19H2,1-5H3,(H-,30,31,35,36);1H"	CCCCCC(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]	DORUBTOOLKAOBT-UHFFFAOYSA-N
DG54912	"[3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl heptanoate;iodide"	376900	NSC658085; CHEMBL2000317; NSC-658085	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658085	.	.	.	.	684.6	C30H45IN4O6	112	809	.	41	2	7	17	"InChI=1S/C30H44N4O6.HI/c1-6-7-8-9-14-27(35)40-20-33-15-10-12-23(17-33)28-25(19-39-30(37)32-22(4)5)24(26-13-11-16-34(26)28)18-38-29(36)31-21(2)3;/h10,12,15,17,21-22H,6-9,11,13-14,16,18-20H2,1-5H3,(H-,31,32,36,37);1H"	CCCCCCC(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]	QLSGNXFBJLWHKU-UHFFFAOYSA-N
DG54913	"5H-Pyrrolizine-1, 6,7-dihydro-3-[[(1-oxooctyoxy)methyl]-3-pyridinyl]-, bis(methylethyl)carbamate (diester), iodide"	376902	"NSC658086; CHEMBL2004027; NSC-658086; 5H-Pyrrolizine-1, 6,7-dihydro-3-[[(1-oxooctyoxy)methyl]-3-pyridinyl]-, bis(methylethyl)carbamate (diester), iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658086	.	.	.	.	698.6	C31H47IN4O6	112	824	.	42	2	7	18	"InChI=1S/C31H46N4O6.HI/c1-6-7-8-9-10-15-28(36)41-21-34-16-11-13-24(18-34)29-26(20-40-31(38)33-23(4)5)25(27-14-12-17-35(27)29)19-39-30(37)32-22(2)3;/h11,13,16,18,22-23H,6-10,12,14-15,17,19-21H2,1-5H3,(H-,32,33,37,38);1H"	CCCCCCCC(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]	WGZOQHDMUWXJDQ-UHFFFAOYSA-N
DG54914	"[3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-ethylbutanoate;iodide"	376904	NSC658087; CHEMBL1973128; NSC-658087	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658087	.	.	.	.	670.6	C29H43IN4O6	112	805	.	40	2	7	15	"InChI=1S/C29H42N4O6.HI/c1-7-21(8-2)27(34)39-18-32-13-9-11-22(15-32)26-24(17-38-29(36)31-20(5)6)23(25-12-10-14-33(25)26)16-37-28(35)30-19(3)4;/h9,11,13,15,19-21H,7-8,10,12,14,16-18H2,1-6H3,(H-,30,31,35,36);1H"	CCC(CC)C(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]	QSCAKZSNTTXZMV-UHFFFAOYSA-N
DG54915	"[3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-methylpropanoate;iodide"	376906	NSC658088; CHEMBL1989300; NSC-658088	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658088	.	.	.	.	642.5	C27H39IN4O6	112	776	.	38	2	7	13	"InChI=1S/C27H38N4O6.HI/c1-17(2)25(32)37-16-30-11-7-9-20(13-30)24-22(15-36-27(34)29-19(5)6)21(23-10-8-12-31(23)24)14-35-26(33)28-18(3)4;/h7,9,11,13,17-19H,8,10,12,14-16H2,1-6H3,(H-,28,29,33,34);1H"	CC(C)C(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]	JLQVFHVXNNDXPJ-UHFFFAOYSA-N
DG54916	NSC658093	376916	"[3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclopropanecarboxylate;iodide; NSC658093; CHEMBL1979299; NSC-658093"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658093	.	.	.	.	640.5	C27H37IN4O6	112	804	.	38	2	7	13	"InChI=1S/C27H36N4O6.HI/c1-17(2)28-26(33)35-14-21-22(15-36-27(34)29-18(3)4)24(31-12-6-8-23(21)31)20-7-5-11-30(13-20)16-37-25(32)19-9-10-19;/h5,7,11,13,17-19H,6,8-10,12,14-16H2,1-4H3,(H-,28,29,33,34);1H"	CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=C[N+](=CC=C3)COC(=O)C4CC4.[I-]	AHDXHLURPAMEPF-UHFFFAOYSA-N
DG54917	"[3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-phenylacetate;iodide"	376918	NSC658094; CHEMBL1966117; NSC-658094	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658094	.	.	.	.	690.6	C31H39IN4O6	112	864	.	42	2	7	14	"InChI=1S/C31H38N4O6.HI/c1-21(2)32-30(37)39-18-25-26(19-40-31(38)33-22(3)4)29(35-15-9-13-27(25)35)24-12-8-14-34(17-24)20-41-28(36)16-23-10-6-5-7-11-23;/h5-8,10-12,14,17,21-22H,9,13,15-16,18-20H2,1-4H3,(H-,32,33,37,38);1H"	CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=C[N+](=CC=C3)COC(=O)CC4=CC=CC=C4.[I-]	BGCLBABFLOKPPA-UHFFFAOYSA-N
DG54918	"[4-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-methylpropanoate;iodide"	376926	NSC658098; CHEMBL1969484; NSC-658098	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658098	.	.	.	.	642.5	C27H39IN4O6	112	768	.	38	2	7	13	"InChI=1S/C27H38N4O6.HI/c1-17(2)25(32)37-16-30-12-9-20(10-13-30)24-22(15-36-27(34)29-19(5)6)21(23-8-7-11-31(23)24)14-35-26(33)28-18(3)4;/h9-10,12-13,17-19H,7-8,11,14-16H2,1-6H3,(H-,28,29,33,34);1H"	CC(C)C(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]	SFZRAPHJJZTXRR-UHFFFAOYSA-N
DG54919	"[4-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3-methylbutanoate;iodide"	376930	NSC658100; CHEMBL2002410; NSC-658100	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658100	.	.	.	.	656.6	C28H41IN4O6	112	783	.	39	2	7	14	"InChI=1S/C28H40N4O6.HI/c1-18(2)14-25(33)38-17-31-12-9-21(10-13-31)26-23(16-37-28(35)30-20(5)6)22(24-8-7-11-32(24)26)15-36-27(34)29-19(3)4;/h9-10,12-13,18-20H,7-8,11,14-17H2,1-6H3,(H-,29,30,34,35);1H"	CC(C)CC(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]	OSTSRYIENYLVOS-UHFFFAOYSA-N
DG54920	"[4-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl octanoate;iodide"	376936	NSC658103; CHEMBL1966765; NSC-658103	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658103	.	.	.	.	698.6	C31H47IN4O6	112	816	.	42	2	7	18	"InChI=1S/C31H46N4O6.HI/c1-6-7-8-9-10-13-28(36)41-21-34-17-14-24(15-18-34)29-26(20-40-31(38)33-23(4)5)25(27-12-11-16-35(27)29)19-39-30(37)32-22(2)3;/h14-15,17-18,22-23H,6-13,16,19-21H2,1-5H3,(H-,32,33,37,38);1H"	CCCCCCCC(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]	MHLVALSEYAFMST-UHFFFAOYSA-N
DG54921	"[4-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl butanoate;iodide"	376940	NSC658107; CHEMBL2005544; NSC-658107	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658107	.	.	.	.	642.5	C27H39IN4O6	112	755	.	38	2	7	14	"InChI=1S/C27H38N4O6.HI/c1-6-8-24(32)37-17-30-13-10-20(11-14-30)25-22(16-36-27(34)29-19(4)5)21(23-9-7-12-31(23)25)15-35-26(33)28-18(2)3;/h10-11,13-14,18-19H,6-9,12,15-17H2,1-5H3,(H-,28,29,33,34);1H"	CCCC(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]	QJPAPOFVLRGBOK-UHFFFAOYSA-N
DG54922	"6-Chloro-5,8-dihydroxy-7-(4-pyridin-2-ylpiperazin-1-yl)naphthalene-1,4-dione"	376946	NSC658141; CHEMBL1976831; NSC-658141; NCI60_020305	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658141	.	.	.	.	385.8	C19H16ClN3O4	94	622	3.4	27	2	7	2	"InChI=1S/C19H16ClN3O4/c20-16-17(19(27)15-12(25)5-4-11(24)14(15)18(16)26)23-9-7-22(8-10-23)13-3-1-2-6-21-13/h1-6,26-27H,7-10H2"	C1CN(CCN1C2=CC=CC=N2)C3=C(C4=C(C(=O)C=CC4=O)C(=C3Cl)O)O	XWWOYZSQSCVIBQ-UHFFFAOYSA-N
DG54923	"5,8-Dihydroxy-2-(4-(2-pyridinyl)-1-piperazinyl)naphthoquinone"	376947	"NSC658142; MLS002701594; NSC-658142; 5,8-dihydroxy-2-(4-(2-pyridinyl)-1-piperazinyl)naphthoquinone; NCIStruc1_001798; NCIStruc2_001639; CHEMBL1703229; SCHEMBL12530708; ZINC1636344; CCG-37448; NCGC00014965; NCI658142; NCGC00014965-02; NCGC00098065-01; NCI60_020306; SMR001565195; 2-(1-(4-(2-Pyridyl)piperazino))naphthazarin"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658142	.	.	.	.	351.4	C19H17N3O4	94	600	3	26	2	7	2	"InChI=1S/C19H17N3O4/c23-13-4-5-14(24)18-17(13)15(25)11-12(19(18)26)21-7-9-22(10-8-21)16-3-1-2-6-20-16/h1-6,11,23-24H,7-10H2"	C1CN(CCN1C2=CC=CC=N2)C3=CC(=O)C4=C(C=CC(=C4C3=O)O)O	HEWUHYSMTMXSKM-UHFFFAOYSA-N
DG54924	"5,8-Dihydroxy-2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione"	376948	"4946-34-3; NSC658143; CHEMBL1969101; DTXSID80327464; NSC-658143; 5,8-dihydroxy-2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione; NCI60_020307; 2-(1-(4-(2-(2-Hydroxyethoxy)ethyl)piperazino))naphthazarin"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658143	.	.	.	.	362.4	C18H22N2O6	111	558	1.2	26	3	8	6	"InChI=1S/C18H22N2O6/c21-8-10-26-9-7-19-3-5-20(6-4-19)12-11-15(24)16-13(22)1-2-14(23)17(16)18(12)25/h1-2,11,21-23H,3-10H2"	C1CN(CCN1CCOCCO)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O	XUITXJZMJYGMRH-UHFFFAOYSA-N
DG54925	2-(1-Piperazino)naphthazarin	376949	NSC658144; NCIChal_000019; NCIMech_000546; Neuro_000381; 2-(1-Piperazino)naphthazarin; CHEMBL1982155; SCHEMBL13856925; ZINC1636346; CCG-35933; CCG-36474; NSC-658144; NCI60_020308	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658144	.	.	.	.	274.27	C14H14N2O4	89.9	456	1.5	20	3	6	1	"InChI=1S/C14H14N2O4/c17-9-1-2-10(18)13-12(9)11(19)7-8(14(13)20)16-5-3-15-4-6-16/h1-2,7,15,17-18H,3-6H2"	C1CN(CCN1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O	GVVGPDXNUWYFEG-UHFFFAOYSA-N
DG54926	2-(2-(Dimethylamino)ethylamino)naphthazarin	376950	NSC658145; 2-(2-(Dimethylamino)ethylamino)naphthazarin; CHEMBL1996161; NSC-658145; NCI60_020309	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658145	.	.	.	.	276.29	C14H16N2O4	89.9	433	2.1	20	3	6	4	"InChI=1S/C14H16N2O4/c1-16(2)6-5-15-8-7-11(19)12-9(17)3-4-10(18)13(12)14(8)20/h3-4,7,15,17-18H,5-6H2,1-2H3"	CN(C)CCNC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O	FTXFIRWTPFUYDI-UHFFFAOYSA-N
DG54927	"5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole"	376952	"NSC658147; 700349-68-4; 1-{2-[(3,4-dichlorophenyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone; 5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole; CHEMBL1995872; ZINC205949; 1-(2-(3,4-Dichloroanilino)-4-methyl-1,3-thiazol-5-yl)ethanone; STK400055; AKOS001671516; MCULE-2512987611; NSC-658147; NCI60_020311; 1-(2-(3,4-dichlorophenylamino)-4-methylthiazol-5-yl)ethanone; 1-[2-(3,4-dichloroanilino)-4-methyl-thiazol-5-yl]ethanone; 1-[2-(3,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]-1-ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658147	.	.	.	.	301.2	C12H10Cl2N2OS	70.2	319	4.5	18	1	4	3	"InChI=1S/C12H10Cl2N2OS/c1-6-11(7(2)17)18-12(15-6)16-8-3-4-9(13)10(14)5-8/h3-5H,1-2H3,(H,15,16)"	CC1=C(SC(=N1)NC2=CC(=C(C=C2)Cl)Cl)C(=O)C	KFCXPECMXMNCRG-UHFFFAOYSA-N
DG54928	"Ethyl 6-ethyl-9-oxo-6,9-dihydrothieno[2,3-f]quinoline-8-carboxylate"	376955	"NSC658155; Ethyl 6-ethyl-9-oxo-6,9-dihydrothieno[2,3-f]quinoline-8-carboxylate; CHEMBL1971455; ZINC1636349; AKOS000279622; NSC-658155; NCI60_020314; ethyl 6-ethyl-9-oxo-thieno[2,3-f]quinoline-8-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658155	.	.	.	.	301.4	C16H15NO3S	74.8	476	3.5	21	0	5	4	"InChI=1S/C16H15NO3S/c1-3-17-9-11(16(19)20-4-2)14(18)13-12(17)6-5-10-7-8-21-15(10)13/h5-9H,3-4H2,1-2H3"	CCN1C=C(C(=O)C2=C1C=CC3=C2SC=C3)C(=O)OCC	IHCTTYHYQHWNEU-UHFFFAOYSA-N
DG54929	"N-(5-((2-Anilino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl)methyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl)-N-phenylamine"	376963	"NSC658163; CHEMBL1979240; NSC-658163; N-(5-((2-Anilino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl)methyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl)-N-phenylamine; NCI60_020322; 5-[[2-anilino-4-(4-methoxyphenyl)thiazol-5-yl]methyl]-4-(4-methoxyphenyl)-N-phenyl-thiazol-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658163	.	.	.	.	576.7	C33H28N4O2S2	125	704	9	41	2	8	10	"InChI=1S/C33H28N4O2S2/c1-38-26-17-13-22(14-18-26)30-28(40-32(36-30)34-24-9-5-3-6-10-24)21-29-31(23-15-19-27(39-2)20-16-23)37-33(41-29)35-25-11-7-4-8-12-25/h3-20H,21H2,1-2H3,(H,34,36)(H,35,37)"	COC1=CC=C(C=C1)C2=C(SC(=N2)NC3=CC=CC=C3)CC4=C(N=C(S4)NC5=CC=CC=C5)C6=CC=C(C=C6)OC	IZBGBDMTWVCUTN-UHFFFAOYSA-N
DG54930	5-Bromo-3-[(2-hydroxy-5-bromobenzylidene)amino]-2-(cyclohexylamino)benzofuran	376965	NSC658165; CHEMBL1974009; ZINC17222211; ZINC104301497; NSC-658165; NCI60_020324; 4-Bromo-2-(((5-bromo-2-(cyclohexylamino)-1-benzofuran-3-yl)imino)methyl)phenol; 4-bromo-2-[(E)-[5-bromo-2-(cyclohexylamino)benzofuran-3-yl]iminomethyl]phenol; 5-Bromo-3-[(2-hydroxy-5-bromobenzylidene)amino]-2-(cyclohexylamino)benzofuran	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658165	.	.	.	.	492.2	C21H20Br2N2O2	57.8	514	6.8	27	2	4	4	"InChI=1S/C21H20Br2N2O2/c22-14-6-8-18(26)13(10-14)12-24-20-17-11-15(23)7-9-19(17)27-21(20)25-16-4-2-1-3-5-16/h6-12,16,25-26H,1-5H2"	C1CCC(CC1)NC2=C(C3=C(O2)C=CC(=C3)Br)N=CC4=C(C=CC(=C4)Br)O	DAWWAPUPNAZLOX-UHFFFAOYSA-N
DG54931	"3a-Methyl-2,4-diphenyl-1,3,4,8b-tetrahydroindeno[1,2-c]phosphole 2-oxide"	376967	NSC658167; CHEMBL1970605; NSC-658167; NCI60_020326	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658167	.	.	.	.	358.4	C24H23OP	17.1	559	4.6	26	0	1	2	"InChI=1S/C24H23OP/c1-24-17-26(25,19-12-6-3-7-13-19)16-22(24)20-14-8-9-15-21(20)23(24)18-10-4-2-5-11-18/h2-15,22-23H,16-17H2,1H3"	CC12CP(=O)(CC1C3=CC=CC=C3C2C4=CC=CC=C4)C5=CC=CC=C5	USAJZDLDKCTBFR-UHFFFAOYSA-N
DG54932	"2-[3,3-Bis(4-methylphenyl)-2-benzothiophen-1-ylidene]propanedinitrile"	376974	NSC658174; CHEMBL1976079; NSC-658174; NCI60_020333	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658174	.	.	.	.	378.5	C25H18N2S	72.9	663	5.8	28	0	3	2	"InChI=1S/C25H18N2S/c1-17-7-11-20(12-8-17)25(21-13-9-18(2)10-14-21)23-6-4-3-5-22(23)24(28-25)19(15-26)16-27/h3-14H,1-2H3"	CC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=C(C#N)C#N)S2)C4=CC=C(C=C4)C	WMXOTLYSLGXBMB-UHFFFAOYSA-N
DG54933	4-Chloro-2-nitro-1-(phenylthio)benzene	376977	4-chloro-2-nitro-1-(phenylthio)benzene; 4548-56-5; 4-chloro-2-nitro-1-phenylsulfanylbenzene; (4-Chloro-2-nitrophenyl)(phenyl)sulfane; 4-Chloro-2-nitrodiphenyl sulfide; NSC658179; CHEMBL196910; MFCD00052249; Maybridge1_000696; SCHEMBL8884363; HMS543H14; DTXSID40327465; ZINC150556; 4-Chloro-2-nitrophenylphenyl sulfide; BDBM50028927; AKOS024348954; 4-chloro-2-nitro1-(phenylthio)benzene; CCG-234021; MCULE-8099742905; NSC-658179; 4-chloro-2-nitro-1-(phenylthio)-benzene; NCI60_020338; 4-chloro-2-nitro-1-phenylsulfanyl-benzene; CS-0362955; FT-0618037; Y9150; J-514979; (5-Chloro-2-(phenylthio)phenyl)(hydroxy)azane oxide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658179	.	.	.	.	265.72	C12H8ClNO2S	71.1	266	4.3	17	0	3	2	InChI=1S/C12H8ClNO2S/c13-9-6-7-12(11(8-9)14(15)16)17-10-4-2-1-3-5-10/h1-8H	C1=CC=C(C=C1)SC2=C(C=C(C=C2)Cl)[N+](=O)[O-]	GSQPMKQJTMHIFH-UHFFFAOYSA-N
DG54934	"3,9-Dimethoxychromeno[4,3-b]indol-6(11H)-one"	376980	"NSC658201; 3,9-Dimethoxychromeno[4,3-b]indol-6(11H)-one; 3,9-dimethoxy-11H-chromeno[4,3-b]indol-6-one; CHEMBL1989492; NSC-658201; NCI60_020351"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658201	.	.	.	.	295.29	C17H13NO4	60.6	442	3.1	22	1	4	2	"InChI=1S/C17H13NO4/c1-20-9-3-5-11-13(7-9)18-16-12-6-4-10(21-2)8-14(12)22-17(19)15(11)16/h3-8,18H,1-2H3"	COC1=CC2=C(C=C1)C3=C(N2)C4=C(C=C(C=C4)OC)OC3=O	ZBVQCKANIQUEDB-UHFFFAOYSA-N
DG54935	"5-Ethyl-3,9-dimethoxy-5,11-dihydro-6H-indolo[3,2-c]quinolin-6-one"	376983	"NSC658204; 5-Ethyl-3,9-dimethoxy-5,11-dihydro-6H-indolo[3,2-c]quinolin-6-one; CHEMBL1975785; 5-ethyl-3,9-dimethoxy-11H-indolo[3,2-c]quinolin-6-one; NSC-658204; NCI60_020354"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658204	.	.	.	.	322.4	C19H18N2O3	54.6	485	3.1	24	1	3	3	"InChI=1S/C19H18N2O3/c1-4-21-16-10-12(24-3)6-8-14(16)18-17(19(21)22)13-7-5-11(23-2)9-15(13)20-18/h5-10,20H,4H2,1-3H3"	CCN1C2=C(C=CC(=C2)OC)C3=C(C1=O)C4=C(N3)C=C(C=C4)OC	RAABQANJLMSOKK-UHFFFAOYSA-N
DG54936	"5,6-Dihydro-4H-indolo[3,2-c]pyrido[3,2,1-ij]quinolin-8(13H)-one"	376984	"NSC658205; 5,6-Dihydro-4H-indolo[3,2-c]pyrido[3,2,1-ij]quinolin-8(13H)-one; CHEMBL1985801; NSC-658205; NCI60_020355"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658205	.	.	.	.	274.3	C18H14N2O	36.1	451	3.2	21	1	1	0	"InChI=1S/C18H14N2O/c21-18-15-12-7-1-2-9-14(12)19-16(15)13-8-3-5-11-6-4-10-20(18)17(11)13/h1-3,5,7-9,19H,4,6,10H2"	C1CC2=C3C(=CC=C2)C4=C(C5=CC=CC=C5N4)C(=O)N3C1	QFTPORFQUYPIJS-UHFFFAOYSA-N
DG54937	"3-(Acetyloxy)-5-methyl-6-oxo-5,6-dihydro[1]benzofuro[3,2-c]quinolin-9-yl acetate"	376986	"NSC658207; 3-(Acetyloxy)-5-methyl-6-oxo-5,6-dihydro[1]benzofuro[3,2-c]quinolin-9-yl acetate; CHEMBL1998604; NSC-658207; NCI60_020356; (9-acetoxy-5-methyl-6-oxo-benzofuro[3,2-c]quinolin-3-yl) acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658207	.	.	.	.	365.3	C20H15NO6	86	636	2.6	27	0	6	4	"InChI=1S/C20H15NO6/c1-10(22)25-12-4-6-14-16(8-12)21(3)20(24)18-15-7-5-13(26-11(2)23)9-17(15)27-19(14)18/h4-9H,1-3H3"	CC(=O)OC1=CC2=C(C=C1)C3=C(C4=C(O3)C=C(C=C4)OC(=O)C)C(=O)N2C	HJSHQPIYJRZKHO-UHFFFAOYSA-N
DG54938	"3-(Acetyloxy)-5-ethyl-6-oxo-5,6-dihydro[1]benzofuro[3,2-c]quinolin-8-yl acetate"	376988	"NSC658209; CHEMBL2001763; VGNDNKIDFQSNDT-UHFFFAOYSA-; NSC-658209; 3-(Acetyloxy)-5-ethyl-6-oxo-5,6-dihydro[1]benzofuro[3,2-c]quinolin-8-yl acetate; NCI60_020358; (3-acetoxy-5-ethyl-6-oxo-benzofuro[3,2-c]quinolin-8-yl) acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658209	.	.	.	.	379.4	C21H17NO6	86	651	3	28	0	6	5	"InChI=1S/C21H17NO6/c1-4-22-17-10-14(27-12(3)24)5-7-15(17)20-19(21(22)25)16-9-13(26-11(2)23)6-8-18(16)28-20/h5-10H,4H2,1-3H3"	CCN1C2=C(C=CC(=C2)OC(=O)C)C3=C(C1=O)C4=C(O3)C=CC(=C4)OC(=O)C	VGNDNKIDFQSNDT-UHFFFAOYSA-N
DG54939	"[1]Benzofuro[3,2-c]quinolin-6-ol"	376990	"NSC658211; [1]Benzofuro[3,2-c]quinolin-6-ol; CHEMBL95599; SCHEMBL9768431; benzofuro[3,2-c]quinolin-6-ol; Benzofuro[3,2-c]quinolin-6(5H)-one; NSC-658211; Benzofuro[3,2-c]quinoline-6(5H)-one; NCI60_020360"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658211	.	.	.	.	235.24	C15H9NO2	42.2	356	2.9	18	1	2	0	"InChI=1S/C15H9NO2/c17-15-13-10-6-2-4-8-12(10)18-14(13)9-5-1-3-7-11(9)16-15/h1-8H,(H,16,17)"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4O3)C(=O)N2	WFRXPWMZAMUTCE-UHFFFAOYSA-N
DG54940	4-Azido-1-methyl-3-phenyl-quinolin-2-one	376992	"NSC658213; CHEMBL1987319; NSC-658213; NCI60_020362; 4-azido-1-methyl-3-phenyl-quinolin-2-one; 1-Methyl-3-phenyl-4-(2.lambda.~5~-1,2-triazadienyl)-2(1H)-quinolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658213	.	.	.	.	276.29	C16H12N4O	34.7	500	3.8	21	0	3	2	"InChI=1S/C16H12N4O/c1-20-13-10-6-5-9-12(13)15(18-19-17)14(16(20)21)11-7-3-2-4-8-11/h2-10H,1H3"	CN1C2=CC=CC=C2C(=C(C1=O)C3=CC=CC=C3)N=[N+]=[N-]	JKFJGUPJMUMLGW-UHFFFAOYSA-N
DG54941	"1H, 7-azido-2,3-dihydro-6-nitro-"	376996	"NSC658215; azido(nitro)[ ]one; CHEMBL1996794; ZINC16958350; NSC-658215; 1H, 7-azido-2,3-dihydro- 6-nitro-; NCI60_020364; 6-(Hydroxy(oxido)amino)-7-(2.lambda.~5~-1,2-triazadienyl)-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658215	.	.	.	.	271.23	C12H9N5O3	80.5	546	2.6	20	0	5	1	"InChI=1S/C12H9N5O3/c13-15-14-9-8-5-1-3-7-4-2-6-16(10(7)8)12(18)11(9)17(19)20/h1,3,5H,2,4,6H2"	C1CC2=C3C(=CC=C2)C(=C(C(=O)N3C1)[N+](=O)[O-])N=[N+]=[N-]	LUGLUKWBGJUZFA-UHFFFAOYSA-N
DG54942	"5-Azido-5-phenyl-4h-pyrido[3,2,1-jk]carbazole-4,6(5h)-dione"	376998	"NSC658216; CHEMBL1974675; 5-azido-5-phenyl-4h-pyrido[3,2,1-jk]carbazole-4,6(5h)-dione; NSC-658216; NCI60_020365; 5-Phenyl-5-(2.lambda.~5~-1,2-triazadienyl)-4H-pyrido[3,2,1-jk]carbazole-4,6(5H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658216	.	.	.	.	352.3	C21H12N4O2	53.4	696	5.6	27	0	4	2	InChI=1S/C21H12N4O2/c22-24-23-21(13-7-2-1-3-8-13)19(26)16-11-6-10-15-14-9-4-5-12-17(14)25(18(15)16)20(21)27/h1-12H	C1=CC=C(C=C1)C2(C(=O)C3=CC=CC4=C3N(C2=O)C5=CC=CC=C45)N=[N+]=[N-]	FXUGFEPYHIYZAS-UHFFFAOYSA-N
DG54943	2-Benzoyl-N-(4-bromophenyl)-3-isoxazolidinamine	377009	NSC658227; 2-Benzoyl-N-(4-bromophenyl)-3-isoxazolidinamine; CHEMBL1976964; NSC-658227; NCI60_020376; [3-(4-bromoanilino)isoxazolidin-2-yl]-phenyl-methanone; N-(2-Benzoyl-3-isoxazolidinyl)-N-(4-bromophenyl)amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658227	.	.	.	.	347.21	C16H15BrN2O2	41.6	352	4.6	21	1	3	3	"InChI=1S/C16H15BrN2O2/c17-13-6-8-14(9-7-13)18-15-10-11-21-19(15)16(20)12-4-2-1-3-5-12/h1-9,15,18H,10-11H2"	C1CON(C1NC2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3	MVNGJXLMVJUWNS-UHFFFAOYSA-N
DG54944	2-(4-Bromobenzoyl)-N-(4-bromophenyl)-5-methyl-3-isoxazolidinamine	377010	NSC658228; CHEMBL1980201; 2-(4-Bromobenzoyl)-N-(4-bromophenyl)-5-methyl-3-isoxazolidinamine; NSC-658228; NCI60_020377; [3-(4-bromoanilino)-5-methyl-isoxazolidin-2-yl]-(4-bromophenyl)methanone; N-(2-(4-Bromobenzoyl)-5-methyl-3-isoxazolidinyl)-N-(4-bromophenyl)amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658228	.	.	.	.	440.1	C17H16Br2N2O2	41.6	407	5.8	23	1	3	3	"InChI=1S/C17H16Br2N2O2/c1-11-10-16(20-15-8-6-14(19)7-9-15)21(23-11)17(22)12-2-4-13(18)5-3-12/h2-9,11,16,20H,10H2,1H3"	CC1CC(N(O1)C(=O)C2=CC=C(C=C2)Br)NC3=CC=C(C=C3)Br	MXMGZFYTHNNJMN-UHFFFAOYSA-N
DG54945	"1-[3-(4-Bromoanilino)-5-methyl-1,2-oxazolidin-2-yl]ethanone"	377011	NSC658229; CHEMBL1981773; NSC-658229; NCI60_020378	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658229	.	.	.	.	299.16	C12H15BrN2O2	41.6	280	3.4	17	1	3	2	"InChI=1S/C12H15BrN2O2/c1-8-7-12(15(17-8)9(2)16)14-11-5-3-10(13)4-6-11/h3-6,8,12,14H,7H2,1-2H3"	CC1CC(N(O1)C(=O)C)NC2=CC=C(C=C2)Br	VMOBFJZZRBPCOR-UHFFFAOYSA-N
DG54946	"N'~3~,N'~5~-Bis(2-hydroxybenzoyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbohydrazide"	377030	"NSC658247; CHEMBL1969240; ZINC73296203; NSC-658247; NCI60_020391; Pyridine-3, 1,4-dihydro-2,6-dimethyl-, bis[2-(2-hydroxybenzoyl)hydrazide]; N'~3~,N'~5~-Bis(2-hydroxybenzoyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbohydrazide; N3',N5'-bis(2-hydroxybenzoyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658247	.	.	.	.	465.5	C23H23N5O6	169	828	2.7	34	7	7	4	"InChI=1S/C23H23N5O6/c1-12-16(22(33)27-25-20(31)14-7-3-5-9-18(14)29)11-17(13(2)24-12)23(34)28-26-21(32)15-8-4-6-10-19(15)30/h3-10,24,29-30H,11H2,1-2H3,(H,25,31)(H,26,32)(H,27,33)(H,28,34)"	CC1=C(CC(=C(N1)C)C(=O)NNC(=O)C2=CC=CC=C2O)C(=O)NNC(=O)C3=CC=CC=C3O	BDOMQHAOCNPNGK-UHFFFAOYSA-N
DG54947	"4-(4-Bromoanilino)-1,2-naphthalenedione 1-oxime"	377041	"NSC658257; 4-(4-Bromoanilino)-1,2-naphthalenedione 1-oxime; CHEMBL1987722; NSC-658257; NCI60_020398; Naphthalen-2-one,2-dihydro-1-(hydroxyimino)-; Naphthalene-1, 4-[(4-bromophenyl)amino]-, 1-oxime; (1Z)-4-(4-bromoanilino)-1-hydroxyimino-naphthalen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658257	.	.	.	.	343.17	C16H11BrN2O2	61.7	360	5	21	2	4	2	"InChI=1S/C16H11BrN2O2/c17-10-5-7-11(8-6-10)18-14-9-15(20)16(19-21)13-4-2-1-3-12(13)14/h1-9,18,20H"	C1=CC=C2C(=C1)C(=CC(=C2N=O)O)NC3=CC=C(C=C3)Br	DTVQCZUFUJDCJK-UHFFFAOYSA-N
DG54948	"4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-N-(2-isopropyl-6-methylphenyl)-2,4-dioxobutanamide"	377043	"NSC658259; CHEMBL1985615; ZINC102935071; NSC-658259; 4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-N-(2-isopropyl-6-methylphenyl)-2,4-dioxobutanamide; NCI60_020399; 4-[2-(2-chloroanilino)-4-methyl-thiazol-5-yl]-N-(2-isopropyl-6-methyl-phenyl)-2,4-dioxo-butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658259	.	.	.	.	470	C24H24ClN3O3S	116	691	6.3	32	2	6	8	"InChI=1S/C24H24ClN3O3S/c1-13(2)16-9-7-8-14(3)21(16)28-23(31)20(30)12-19(29)22-15(4)26-24(32-22)27-18-11-6-5-10-17(18)25/h5-11,13H,12H2,1-4H3,(H,26,27)(H,28,31)"	CC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)CC(=O)C2=C(N=C(S2)NC3=CC=CC=C3Cl)C	VWWYBFRPJMFIGY-UHFFFAOYSA-N
DG54949	"2-(2-Ethoxy-phenyl)-naphtho[2,3-d]thiazole-4,9-dione"	377057	"NSC658272; 2-(2-Ethoxy-phenyl)-naphtho[2,3-d]thiazole-4,9-dione; CHEMBL1965202; 2-(2-ethoxyphenyl)benzo[f][1,3]benzothiazole-4,9-dione; ZINC408481; NSC-658272; NCI60_020406"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658272	.	.	.	.	335.4	C19H13NO3S	84.5	511	4.6	24	0	5	3	"InChI=1S/C19H13NO3S/c1-2-23-14-10-6-5-9-13(14)19-20-15-16(21)11-7-3-4-8-12(11)17(22)18(15)24-19/h3-10H,2H2,1H3"	CCOC1=CC=CC=C1C2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O	GOUFDSJOPONWJD-UHFFFAOYSA-N
DG54950	"2-(2,5-Dichloro-phenylamino)-naphtho[2,3-d]thiazole-4,9-dione"	377059	"NSC658274; 2-(2,5-Dichloro-phenylamino)-naphtho[2,3-d]thiazole-4,9-dione; CHEMBL1993120; 2-(2,5-dichloroanilino)benzo[f][1,3]benzothiazole-4,9-dione; ZINC1636428; NSC-658274; NCI60_020408; Naphtho[2,9-dione, 2-[(2,5-dichlorophenyl) amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658274	.	.	.	.	375.2	C17H8Cl2N2O2S	87.3	535	5.7	24	1	5	2	"InChI=1S/C17H8Cl2N2O2S/c18-8-5-6-11(19)12(7-8)20-17-21-13-14(22)9-3-1-2-4-10(9)15(23)16(13)24-17/h1-7H,(H,20,21)"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=C(C=CC(=C4)Cl)Cl	FNCOTTXCSUMORN-UHFFFAOYSA-N
DG54951	"2-(4-Ethoxy-phenylamino)-naphtho[2,3-d]thiazole-4,9-dione"	377060	"NSC658275; 2-(4-Ethoxy-phenylamino)-naphtho[2,3-d]thiazole-4,9-dione; CHEMBL1969490; 2-(4-ethoxyanilino)benzo[f][1,3]benzothiazole-4,9-dione; ZINC1636429; NSC-658275; NCI60_020409"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658275	.	.	.	.	350.4	C19H14N2O3S	96.5	521	4.8	25	1	6	4	"InChI=1S/C19H14N2O3S/c1-2-24-12-9-7-11(8-10-12)20-19-21-15-16(22)13-5-3-4-6-14(13)17(23)18(15)25-19/h3-10H,2H2,1H3,(H,20,21)"	CCOC1=CC=C(C=C1)NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O	BOMLWVXIGKCJOI-UHFFFAOYSA-N
DG54952	"2-(2-(Trifluoromethyl)anilino)naphtho[2,3-d][1,3]thiazole-4,9-dione"	377061	"NSC658276; 2-(2-(trifluoromethyl)anilino)naphtho[2,3-d][1,3]thiazole-4,9-dione; CHEMBL2004744; ZINC1636430; 2-[2-(trifluoromethyl)anilino]benzo[f][1,3]benzothiazole-4,9-dione; NSC-658276; NCI60_020410"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658276	.	.	.	.	374.3	C18H9F3N2O2S	87.3	585	5.3	26	1	8	2	"InChI=1S/C18H9F3N2O2S/c19-18(20,21)11-7-3-4-8-12(11)22-17-23-13-14(24)9-5-1-2-6-10(9)15(25)16(13)26-17/h1-8H,(H,22,23)"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=CC=CC=C4C(F)(F)F	IHXQSBOKTPTGLJ-UHFFFAOYSA-N
DG54953	"2-(13-Methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)ethanol"	377153	"NSC658355; CHEMBL2001902; 2-[methoxy(nitro)[ ]yl]ethanol; NSC-658355; NCI60_020484; 2-(7-(Hydroxy(oxido)amino)-11-methoxy-2,8-dihydro[1,4]diazepino[5,6,7-kl]acridin-4(3H)-yl)ethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658355	.	.	.	.	354.4	C18H18N4O4	103	516	2.5	26	2	7	3	"InChI=1S/C18H18N4O4/c1-26-11-2-3-13-12(10-11)17-16-14(21(8-9-23)7-6-19-17)4-5-15(22(24)25)18(16)20-13/h2-5,10,19,23H,6-9H2,1H3"	COC1=CC2=C3C4=C(C=CC(=C4N=C2C=C1)[N+](=O)[O-])N(CCN3)CCO	VLNDNBAOBAIQOF-UHFFFAOYSA-N
DG54954	NSC658356	377154	"N,N-diethyl-2-(13-methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)ethanamine; NSC658356; CHEMBL1988388; NSC-658356; NCI60_020485; N,N-diethyl-2-[methoxy(nitro)[ ]yl]ethanamine; 4-(2-(Diethylamino)ethyl)-7-(hydroxy(oxido)amino)-11-methoxy-2,3,4,8-tetrahydro[1,4]diazepino[5,6,7-kl]acridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658356	.	.	.	.	409.5	C22H27N5O3	86.4	584	4	30	1	7	6	"InChI=1S/C22H27N5O3/c1-4-25(5-2)12-13-26-11-10-23-21-16-14-15(30-3)6-7-17(16)24-22-19(27(28)29)9-8-18(26)20(21)22/h6-9,14,23H,4-5,10-13H2,1-3H3"	CCN(CC)CCN1CCNC2=C3C=C(C=CC3=NC4=C(C=CC1=C24)[N+](=O)[O-])OC	ALZPIPCMTONTND-UHFFFAOYSA-N
DG54955	"2-(12-Methoxy-2,3-dihydro-4H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridin-4-yl)-N,N-dimethylethanamine"	377157	"NSC658359; CHEMBL1974876; NSC-658359; 2-(12-Methoxy-2,3-dihydro-4H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridin-4-yl)-N,N-dimethylethanamine; NCI60_020488; 2-(methoxy[ ]yl)-N,N-dimethyl-ethanamine; N-(2-(12-Methoxy-2,3-dihydro-4H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridin-4-yl)ethyl)-N,N-dimethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658359	.	.	.	.	361.4	C21H23N5O	45.9	581	2.4	27	0	5	4	"InChI=1S/C21H23N5O/c1-24(2)10-11-25-9-8-22-20-15-12-14(27-3)4-6-17(15)26-13-23-16-5-7-18(25)19(20)21(16)26/h4-7,12-13H,8-11H2,1-3H3"	CN(C)CCN1CCN=C2C3=C(C=CC(=C3)OC)N4C=NC5=C4C2=C1C=C5	WXOLZCJGPDYUAH-UHFFFAOYSA-N
DG54956	"N,N-Diethyl-2-(12-methoxy-2,3-dihydro-4H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridin-4-yl)ethanamine"	377158	"NSC658360; CHEMBL1994747; NSC-658360; N,N-diethyl-2-(methoxy[ ]yl)ethanamine; N,N-Diethyl-2-(12-methoxy-2,3-dihydro-4H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridin-4-yl)ethanamine; NCI60_020489; N,N-Diethyl-N-(2-(12-methoxy-2,3-dihydro-4H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridin-4-yl)ethyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658360	.	.	.	.	389.5	C23H27N5O	45.9	608	3.2	29	0	5	6	"InChI=1S/C23H27N5O/c1-4-26(5-2)12-13-27-11-10-24-22-17-14-16(29-3)6-8-19(17)28-15-25-18-7-9-20(27)21(22)23(18)28/h6-9,14-15H,4-5,10-13H2,1-3H3"	CCN(CC)CCN1CCN=C2C3=C(C=CC(=C3)OC)N4C=NC5=C4C2=C1C=C5	POHDDFXTASTRKP-UHFFFAOYSA-N
DG54957	"1-((2-(Dimethylamino)ethyl)amino)-9-((2-(dimethylamino)ethyl)imino)-4-(hydroxy(oxido)amino)-7-methoxy-9,10-dihydroacridine"	377159	"NSC658361; CHEMBL1964749; ZINC31852780; NSC-658361; NCI60_020490; 1-((2-(Dimethylamino)ethyl)amino)-9-((2-(dimethylamino)ethyl)imino)-4-(hydroxy(oxido)amino)-7-methoxy-9,10-dihydroacridine; 9,10-Dihydro-4-nitro-7-methoxy-9-[[2-(dimethylamino)ethyl]imino]-N-[2-(dimethylamino)ethyl]acridin-1-amine; N-[(9E)-9-(2-dimethylaminoethylimino)-7-methoxy-4-nitro-10H-acridin-1-yl]-N',N'-dimethyl-ethane-1,2-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658361	.	.	.	.	426.5	C22H30N6O3	98.5	572	3.9	31	2	8	9	"InChI=1S/C22H30N6O3/c1-26(2)12-10-23-18-8-9-19(28(29)30)22-20(18)21(24-11-13-27(3)4)16-14-15(31-5)6-7-17(16)25-22/h6-9,14,23H,10-13H2,1-5H3,(H,24,25)"	CN(C)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])N=C3C=CC(=CC3=C2NCCN(C)C)OC	ZCZLOODDVPCOIS-UHFFFAOYSA-N
DG54958	"1-((2-(Diethylamino)ethyl)amino)-9-((2-(diethylamino)ethyl)imino)-4-(hydroxy(oxido)amino)-7-methoxy-9,10-dihydroacridine"	377160	"NSC658362; CHEMBL1988762; NSC-658362; NCI60_020491; 1-((2-(Diethylamino)ethyl)amino)-9-((2-(diethylamino)ethyl)imino)-4-(hydroxy(oxido)amino)-7-methoxy-9,10-dihydroacridine; 9,10-Dihydro-4-nitro-7-methoxy-9-[[2-(diethylamino)ethyl]imino]-N-[2-(diethylamino)ethyl]acridin-1-amine; N-[(9E)-9-(2-diethylaminoethylimino)-7-methoxy-4-nitro-10H-acridin-1-yl]-N',N'-diethyl-ethane-1,2-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658362	.	.	.	.	482.6	C26H38N6O3	98.5	627	5.4	35	2	8	13	"InChI=1S/C26H38N6O3/c1-6-30(7-2)16-14-27-22-12-13-23(32(33)34)26-24(22)25(28-15-17-31(8-3)9-4)20-18-19(35-5)10-11-21(20)29-26/h10-13,18,27H,6-9,14-17H2,1-5H3,(H,28,29)"	CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])N=C3C=CC(=CC3=C2NCCN(CC)CC)OC	XVFFUYLEENFENO-UHFFFAOYSA-N
DG54959	"1-((3-(Dimethylamino)propyl)amino)-9-((3-(dimethylamino)propyl)imino)-4-(hydroxy(oxido)amino)-7-methoxy-9,10-dihydroacridine"	377161	"NSC658363; CHEMBL1989484; NSC-658363; NCI60_020492; 1-((3-(Dimethylamino)propyl)amino)-9-((3-(dimethylamino)propyl)imino)-4-(hydroxy(oxido)amino)-7-methoxy-9,10-dihydroacridine; 9,10-Dihydro-4-nitro-7-methoxy-9-[[3-(dimethylamino)propyl]imino]-N-[3-(dimethylamino)propyl]acridin-1-amine; N-[(9E)-9-[3-(dimethylamino)propylimino]-7-methoxy-4-nitro-10H-acridin-1-yl]-N',N'-dimethyl-propane-1,3-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658363	.	.	.	.	454.6	C24H34N6O3	98.5	601	4.6	33	2	8	11	"InChI=1S/C24H34N6O3/c1-28(2)14-6-12-25-20-10-11-21(30(31)32)24-22(20)23(26-13-7-15-29(3)4)18-16-17(33-5)8-9-19(18)27-24/h8-11,16,25H,6-7,12-15H2,1-5H3,(H,26,27)"	CN(C)CCCNC1=C2C(=C(C=C1)[N+](=O)[O-])N=C3C=CC(=CC3=C2NCCCN(C)C)OC	YRKVZONKXGMJCC-UHFFFAOYSA-N
DG54960	"1-((3-(Diethylamino)propyl)amino)-9-((3-(diethylamino)propyl)imino)-4-(hydroxy(oxido)amino)-7-methoxy-9,10-dihydroacridine"	377162	"NSC658364; CHEMBL1982771; NSC-658364; NCI60_020493; 1-((3-(Diethylamino)propyl)amino)-9-((3-(diethylamino)propyl)imino)-4-(hydroxy(oxido)amino)-7-methoxy-9,10-dihydroacridine; 9,10-Dihydro-4-nitro-7-methoxy-9-[[3-(diethylamino)propyl]imino]-N-[3-(diethylamino)propyl]acridin-1-amine; N-[(9E)-9-[3-(diethylamino)propylimino]-7-methoxy-4-nitro-10H-acridin-1-yl]-N',N'-diethyl-propane-1,3-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658364	.	.	.	.	510.7	C28H42N6O3	98.5	656	6.1	37	2	8	15	"InChI=1S/C28H42N6O3/c1-6-32(7-2)18-10-16-29-24-14-15-25(34(35)36)28-26(24)27(30-17-11-19-33(8-3)9-4)22-20-21(37-5)12-13-23(22)31-28/h12-15,20,29H,6-11,16-19H2,1-5H3,(H,30,31)"	CCN(CC)CCCNC1=C2C(=C(C=C1)[N+](=O)[O-])N=C3C=CC(=CC3=C2NCCCN(CC)CC)OC	JRFJTWWJMLKUNV-UHFFFAOYSA-N
DG54961	"9,10-Dihydro-9-imino-7-methoxy-4-nitro-N-[2-(dimethylamino)ethyl]acridin-1-amine"	377163	"NSC658365; CHEMBL1987207; NSC-658365; NCI60_020494; 9,10-Dihydro-9-imino-7-methoxy-4-nitro-N-[2-(dimethylamino)ethyl]acridin-1-amine; N-(9-imino-7-methoxy-4-nitro-10H-acridin-1-yl)-N',N'-dimethyl-ethane-1,2-diamine; 1-((2-(Dimethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658365	.	.	.	.	355.4	C18H21N5O3	109	486	3.2	26	2	7	5	"InChI=1S/C18H21N5O3/c1-22(2)9-8-20-14-6-7-15(23(24)25)18-16(14)17(19)12-10-11(26-3)4-5-13(12)21-18/h4-7,10,20H,8-9H2,1-3H3,(H2,19,21)"	CN(C)CCNC1=C2C(=C3C=C(C=CC3=NC2=C(C=C1)[N+](=O)[O-])OC)N	IWYQEVULXPVJPD-UHFFFAOYSA-N
DG54962	"9,10-Dihydro-9-imino-7-methoxy-4-nitro-N-[2-(diethylamino)ethyl]acridin-1-amine"	377164	"NSC658366; CHEMBL1985373; NSC-658366; NCI60_020495; 9,10-Dihydro-9-imino-7-methoxy-4-nitro-N-[2-(diethylamino)ethyl]acridin-1-amine; N',N'-diethyl-N-(9-imino-7-methoxy-4-nitro-10H-acridin-1-yl)ethane-1,2-diamine; 1-((2-(Diethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658366	.	.	.	.	383.4	C20H25N5O3	109	513	4	28	2	7	7	"InChI=1S/C20H25N5O3/c1-4-24(5-2)11-10-22-16-8-9-17(25(26)27)20-18(16)19(21)14-12-13(28-3)6-7-15(14)23-20/h6-9,12,22H,4-5,10-11H2,1-3H3,(H2,21,23)"	CCN(CC)CCNC1=C2C(=C3C=C(C=CC3=NC2=C(C=C1)[N+](=O)[O-])OC)N	CIJPFODCDIHSPF-UHFFFAOYSA-N
DG54963	"9,10-Dihydro-9-imino-7-methoxy-4-nitro-N-[3-(dimethylamino)propyl]acridin-1-amine"	377165	"NSC658367; CHEMBL1978776; NSC-658367; NCI60_020496; 9,10-Dihydro-9-imino-7-methoxy-4-nitro-N-[3-(dimethylamino)propyl]acridin-1-amine; N-(9-imino-7-methoxy-4-nitro-10H-acridin-1-yl)-N',N'-dimethyl-propane-1,3-diamine; 1-((3-(Dimethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658367	.	.	.	.	369.4	C19H23N5O3	109	500	3.6	27	2	7	6	"InChI=1S/C19H23N5O3/c1-23(2)10-4-9-21-15-7-8-16(24(25)26)19-17(15)18(20)13-11-12(27-3)5-6-14(13)22-19/h5-8,11,21H,4,9-10H2,1-3H3,(H2,20,22)"	CN(C)CCCNC1=C2C(=C3C=C(C=CC3=NC2=C(C=C1)[N+](=O)[O-])OC)N	HKLXXNLFNSXNNA-UHFFFAOYSA-N
DG54964	"9,10-Dihydro-9-imino-7-methoxy-4-nitro-N-[3-(diethylamino)propyl]acridin-1-amine"	377166	"NSC658368; CHEMBL2004174; NSC-658368; NCI60_020497; 9,10-Dihydro-9-imino-7-methoxy-4-nitro-N-[3-(diethylamino)propyl]acridin-1-amine; N',N'-diethyl-N-(9-imino-7-methoxy-4-nitro-10H-acridin-1-yl)propane-1,3-diamine; 1-((3-(Diethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658368	.	.	.	.	397.5	C21H27N5O3	109	527	4.3	29	2	7	8	"InChI=1S/C21H27N5O3/c1-4-25(5-2)12-6-11-23-17-9-10-18(26(27)28)21-19(17)20(22)15-13-14(29-3)7-8-16(15)24-21/h7-10,13,23H,4-6,11-12H2,1-3H3,(H2,22,24)"	CCN(CC)CCCNC1=C2C(=C3C=C(C=CC3=NC2=C(C=C1)[N+](=O)[O-])OC)N	XMXJZSOGXBXAQL-UHFFFAOYSA-N
DG54965	"9,10-Dihydro-9-imino-4-nitro-N-[2-(dimethylamino)ethyl]acridin-1-amine"	377167	"NSC658369; CHEMBL1985703; NSC-658369; NCI60_020498; 9,10-Dihydro-9-imino-4-nitro-N-[2-(dimethylamino)ethyl]acridin-1-amine; N-(9-imino-4-nitro-10H-acridin-1-yl)-N',N'-dimethyl-ethane-1,2-diamine; 1-((2-(Dimethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658369	.	.	.	.	325.4	C17H19N5O2	100	441	2.9	24	2	6	4	"InChI=1S/C17H19N5O2/c1-21(2)10-9-19-13-7-8-14(22(23)24)17-15(13)16(18)11-5-3-4-6-12(11)20-17/h3-8,19H,9-10H2,1-2H3,(H2,18,20)"	CN(C)CCNC1=CC=C(C2=NC3=CC=CC=C3C(=C12)N)[N+](=O)[O-]	BXUJQSDKGQJJRF-UHFFFAOYSA-N
DG54966	"9,10-Dihydro-9-imino-4-nitro-N-[2-(diethylamino)ethyl]acridin-1-amine"	377168	"NSC658370; CHEMBL1988920; NSC-658370; NCI60_020499; 9,10-Dihydro-9-imino-4-nitro-N-[2-(diethylamino)ethyl]acridin-1-amine; N',N'-diethyl-N-(9-imino-4-nitro-10H-acridin-1-yl)ethane-1,2-diamine; 1-((2-(Diethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658370	.	.	.	.	353.4	C19H23N5O2	100	467	3.7	26	2	6	6	"InChI=1S/C19H23N5O2/c1-3-23(4-2)12-11-21-15-9-10-16(24(25)26)19-17(15)18(20)13-7-5-6-8-14(13)22-19/h5-10,21H,3-4,11-12H2,1-2H3,(H2,20,22)"	CCN(CC)CCNC1=CC=C(C2=NC3=CC=CC=C3C(=C12)N)[N+](=O)[O-]	FNASIBKSUKZENM-UHFFFAOYSA-N
DG54967	"9,10-Dihydro-9-imino-4-nitro-N-[3-(dimethylamino)propyl]acridin-1-amine"	377169	"NSC658371; CHEMBL1983774; ZINC31852805; NSC-658371; NCI60_020500; 9,10-Dihydro-9-imino-4-nitro-N-[3-(dimethylamino)propyl]acridin-1-amine; N-(9-imino-4-nitro-10H-acridin-1-yl)-N',N'-dimethyl-propane-1,3-diamine; 1-((3-(Dimethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658371	.	.	.	.	339.4	C18H21N5O2	100	455	3.3	25	2	6	5	"InChI=1S/C18H21N5O2/c1-22(2)11-5-10-20-14-8-9-15(23(24)25)18-16(14)17(19)12-6-3-4-7-13(12)21-18/h3-4,6-9,20H,5,10-11H2,1-2H3,(H2,19,21)"	CN(C)CCCNC1=CC=C(C2=NC3=CC=CC=C3C(=C12)N)[N+](=O)[O-]	LCDONRWWUHTTBU-UHFFFAOYSA-N
DG54968	"9,10-Dihydro-9-imino-4-nitro-N-[3-(diethylamino)propyl]acridin-1-amine"	377170	"NSC658372; CHEMBL1995093; ZINC31852807; NSC-658372; NCI60_020501; 9,10-Dihydro-9-imino-4-nitro-N-[3-(diethylamino)propyl]acridin-1-amine; N',N'-diethyl-N-(9-imino-4-nitro-10H-acridin-1-yl)propane-1,3-diamine; 1-((3-(Diethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658372	.	.	.	.	367.4	C20H25N5O2	100	482	4	27	2	6	7	"InChI=1S/C20H25N5O2/c1-3-24(4-2)13-7-12-22-16-10-11-17(25(26)27)20-18(16)19(21)14-8-5-6-9-15(14)23-20/h5-6,8-11,22H,3-4,7,12-13H2,1-2H3,(H2,21,23)"	CCN(CC)CCCNC1=CC=C(C2=NC3=CC=CC=C3C(=C12)N)[N+](=O)[O-]	CRFPZOQIRQYUOT-UHFFFAOYSA-N
DG54969	NSC658373	377171	"2-(13-methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)-N,N-dimethylethanamine; NSC658373; CHEMBL2002478; NSC-658373; NCI60_020502; 4-(2-(Dimethylamino)ethyl)-7-(hydroxy(oxido)amino)-11-methoxy-2,3,4,8-tetrahydro[1,4]diazepino[5,6,7-kl]acridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658373	.	.	.	.	381.4	C20H23N5O3	86.4	556	3.2	28	1	7	4	"InChI=1S/C20H23N5O3/c1-23(2)10-11-24-9-8-21-19-14-12-13(28-3)4-5-15(14)22-20-17(25(26)27)7-6-16(24)18(19)20/h4-7,12,21H,8-11H2,1-3H3"	CN(C)CCN1CCNC2=C3C=C(C=CC3=NC4=C(C=CC1=C24)[N+](=O)[O-])OC	MEUZLCAZKOFOFF-UHFFFAOYSA-N
DG54970	"1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-2-(4-(dimethylamino)butyl)-9-methyl-, monohydrochloride"	377173	"NSC658388; NSC-658388; 184691-53-0; 1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-2-(4-(dimethylamino)butyl)-9-methyl-, monohydrochloride; CHEMBL1742084; DTXSID40171627; CCG-35762; CCG-37053; NCGC00014966; NCI658388; NCGC00098066-01; 1H-Pyrido[3, 2-[4-(dimethylamino)butyl]-2,3,4,9-tetrahydro-9-methyl-, monohydrochloride; 2-(4-(dimethylamino)butyl)-9-methyl-2,3,4,9-tetrahydro-1H--carbolin-1-one hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658388	.	.	.	.	335.9	C18H26ClN3O	28.5	398	.	23	1	2	5	"InChI=1S/C18H25N3O.ClH/c1-19(2)11-6-7-12-21-13-10-15-14-8-4-5-9-16(14)20(3)17(15)18(21)22;/h4-5,8-9H,6-7,10-13H2,1-3H3;1H"	CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCCN(C)C.Cl	RSKOBACAHCQHSX-UHFFFAOYSA-N
DG54971	"11-(4-Fluoro-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)-1,3,5-triazin-2-yl)isoindolo[1,2-b][1,3]benzothiazole"	377183	"NSC658409; CHEMBL1968615; NSC-658409; 11-(4-Fluoro-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)-1,3,5-triazin-2-yl)isoindolo[1,2-b][1,3]benzothiazole; 13-(4-fluoro-6-isoindolo[1,2-b][1,3]benzothiazol-11-yl-1,3,5-triazin-2-yl)-1,4,7,10-tetraoxa-13-azacyclopentadecane; NCI60_020515"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658409	.	.	.	.	537.6	C27H28FN5O4S	112	730	5	38	0	10	2	"InChI=1S/C27H28FN5O4S/c28-26-29-24(23-19-5-1-2-6-20(19)25-33(23)21-7-3-4-8-22(21)38-25)30-27(31-26)32-9-11-34-13-15-36-17-18-37-16-14-35-12-10-32/h1-8H,9-18H2"	C1COCCOCCOCCOCCN1C2=NC(=NC(=N2)C3=C4C=CC=CC4=C5N3C6=CC=CC=C6S5)F	YTJOBELHAALESR-UHFFFAOYSA-N
DG54972	"(2,4,6-trinitrophenyl) N-(2-oxo-2-piperazin-1-ylethyl)-2-(N-phenylanilino)ethanimidate"	377189	NSC658416; CHEMBL1988380; ZINC73333659; ZINC104301907; NSC-658416; NCI60_020521	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658416	.	.	.	.	563.5	C26H25N7O8	195	905	3.7	41	1	11	8	"InChI=1S/C26H25N7O8/c34-25(29-13-11-27-12-14-29)17-28-24(18-30(19-7-3-1-4-8-19)20-9-5-2-6-10-20)41-26-22(32(37)38)15-21(31(35)36)16-23(26)33(39)40/h1-10,15-16,27H,11-14,17-18H2"	C1CN(CCN1)C(=O)CN=C(CN(C2=CC=CC=C2)C3=CC=CC=C3)OC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	DIINZOMFOFSCAM-UHFFFAOYSA-N
DG54973	"(2,4,6-trichlorophenyl) N-[2-(benzimidazol-1-yl)-2-oxoethyl]-2-(N-phenylanilino)ethanimidate"	377190	NSC658417; CHEMBL1985019; NSC-658417; NCI60_020522	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658417	.	.	.	.	563.9	C29H21Cl3N4O2	59.7	775	8.4	38	0	5	8	"InChI=1S/C29H21Cl3N4O2/c30-20-15-23(31)29(24(32)16-20)38-27(33-17-28(37)36-19-34-25-13-7-8-14-26(25)36)18-35(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-16,19H,17-18H2"	C1=CC=C(C=C1)N(CC(=NCC(=O)N2C=NC3=CC=CC=C32)OC4=C(C=C(C=C4Cl)Cl)Cl)C5=CC=CC=C5	MIDPYBCJCHFBHB-UHFFFAOYSA-N
DG54974	"(2,4,6-trichlorophenyl) N-(2-oxo-2-phenothiazin-10-ylethyl)-2-(N-phenylanilino)ethanimidate"	377191	NSC658418; CHEMBL1977336; ZINC82175104; ZINC150441368; NSC-658418; NCI60_020523	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658418	.	.	.	.	645	C34H24Cl3N3O2S	70.4	894	10	43	0	5	8	"InChI=1S/C34H24Cl3N3O2S/c35-23-19-26(36)34(27(37)20-23)42-32(22-39(24-11-3-1-4-12-24)25-13-5-2-6-14-25)38-21-33(41)40-28-15-7-9-17-30(28)43-31-18-10-8-16-29(31)40/h1-20H,21-22H2"	C1=CC=C(C=C1)N(CC(=NCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)OC5=C(C=C(C=C5Cl)Cl)Cl)C6=CC=CC=C6	XFPBZCOBDIWFAT-UHFFFAOYSA-N
DG54975	"(6-acetamido-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) 2-methoxyacetate"	377193	"NSC658420; CHEMBL2004998; NSC-658420; (6-acetamido-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) 2-methoxyacetate; 6-(Acetylamino)-5-imino-7-methyl-8-oxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl methoxyacetate; NCI60_020525"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658420	.	.	.	.	346.34	C16H18N4O5	123	673	-0.2	25	2	7	5	"InChI=1S/C16H18N4O5/c1-7-12(18-8(2)21)11(17)13-14(15(7)23)20-5-4-9(16(20)19-13)25-10(22)6-24-3/h9,17H,4-6H2,1-3H3,(H,18,21)"	CC1=C(C(=N)C2=C(C1=O)N3CCC(C3=N2)OC(=O)COC)NC(=O)C	MZSXUQCYYVQQAT-UHFFFAOYSA-N
DG54976	"6-(Acetylamino)-5-imino-7-methyl-8-oxo-2,3,5,8-tetrahydro-1H-pyrrolo(1,2-a)benzimidazol-3-yl benzoate"	377194	"NSC658421; 160595-32-4; NSC 658421; CHEMBL277981; NSC-658421; (6-acetamido-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) benzoate; 6-(Acetylamino)-5-imino-7-methyl-8-oxo-2,3,5,8-tetrahydro-1H-pyrrolo(1,2-a)benzimidazol-3-yl benzoate; NCI60_020526; syn/anti-6-Acetamido-5-imino-7methyl-2,2-a]benzamidazole-8-one-3-benzoate; syn/anti-6-Acetamido-5-imino-7methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzamidazole-8-one-3-benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658421	.	.	.	.	378.4	C20H18N4O4	114	755	1.5	28	2	6	4	"InChI=1S/C20H18N4O4/c1-10-15(22-11(2)25)14(21)16-17(18(10)26)24-9-8-13(19(24)23-16)28-20(27)12-6-4-3-5-7-12/h3-7,13,21H,8-9H2,1-2H3,(H,22,25)"	CC1=C(C(=N)C2=C(C1=O)N3CCC(C3=N2)OC(=O)C4=CC=CC=C4)NC(=O)C	LINVEZGIQLALNN-UHFFFAOYSA-N
DG54977	"1,4,10-Trimethoxy-6-methyl[1]benzofuro[3,2-f]phthalazine"	377198	"NSC658425; 1,4,10-Trimethoxy-6-methyl[1]benzofuro[3,2-f]phthalazine; CHEMBL2003110; NSC-658425; NCI60_020530; 1,4,10-trimethoxy-6-methyl-benzofuro[3,2-f]phthalazine; 1,4-Dimethoxy-6-methyl-10-methoxy-2,3-diaza-7-oxa-7H-benzo[c]fluorene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658425	.	.	.	.	324.3	C18H16N2O4	66.6	451	3.8	24	0	6	3	"InChI=1S/C18H16N2O4/c1-9-7-12-15(18(23-4)20-19-17(12)22-3)14-11-8-10(21-2)5-6-13(11)24-16(9)14/h5-8H,1-4H3"	CC1=CC2=C(C3=C1OC4=C3C=C(C=C4)OC)C(=NN=C2OC)OC	BIEPOJPCAWLHPE-UHFFFAOYSA-N
DG54978	"2-Amino-5,8-dihydroxy-1,4-naphthoquinone"	377209	"2-Amino-5,8-dihydroxy-1,4-naphthoquinone; 2-amino-5,8-dihydroxynaphthalene-1,4-dione; NSC658441; 87927-30-8; 2-Amino-5,4-naphthoquinone; SCHEMBL10896100; DTXSID60327467; NSC-658441; NCI60_020537"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658441	.	.	.	.	205.17	C10H7NO4	101	349	1.4	15	3	5	0	"InChI=1S/C10H7NO4/c11-4-3-7(14)8-5(12)1-2-6(13)9(8)10(4)15/h1-3,12-13H,11H2"	C1=CC(=C2C(=C1O)C(=O)C=C(C2=O)N)O	HBGVBAQAWXSWQF-UHFFFAOYSA-N
DG54979	"2-Chloro-3-amino-5,4-naphthoquinone"	377211	"NSC658443; CHEMBL1993759; SCHEMBL23271854; 2-Chloro-3-amino-5,4-naphthoquinone; NSC-658443; NCI60_020539"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658443	.	.	.	.	239.61	C10H6ClNO4	101	370	1.8	16	3	5	0	"InChI=1S/C10H6ClNO4/c11-7-8(12)10(16)6-4(14)2-1-3(13)5(6)9(7)15/h1-2,15-16H,12H2"	C1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)Cl)N)O	WHZXUVWXVVCMIW-UHFFFAOYSA-N
DG54980	"N-(8-hydroxy-6-methyl-1,4-dioxo-2-naphthyl)acetamide"	377214	"NSC658450; CHEMBL1973071; NSC-658450; NCI60_020544; 2-Acetamido-6-methyl-8-hydroxy-1,4-naphthaquinone; N-(8-hydroxy-6-methyl-1,4-dioxo-2-naphthyl)acetamide; N-(8-Hydroxy-6-methyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658450	.	.	.	.	245.23	C13H11NO4	83.5	440	1.4	18	2	4	1	"InChI=1S/C13H11NO4/c1-6-3-8-10(16)5-9(14-7(2)15)13(18)12(8)11(17)4-6/h3-5,17H,1-2H3,(H,14,15)"	CC1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)NC(=O)C	WBQCMONPSIPXGD-UHFFFAOYSA-N
DG54981	"2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-4,6-dimethyl-[1,3]dithiolo[4,5-d]pyrimidine-5,7-dione"	377230	"NSC658469; 2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-4,6-dimethyl[1,3]dithiolo[4,5-d]pyrimidine-5,7(4H,6H)-dione; CHEMBL1967796; SCHEMBL14866061; ZINC109875; STK682228; AKOS005596925; CCG-348626; MCULE-5621894274; NSC-658469; 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,6-dimethyl-[1,3]dithiolo[4,5-d]pyrimidine-5,7-dione; NCI60_020560; 1,4-dioxo(1H,3H)pyrimido dimethyltetrathiafulvalene; 1,3-dimethyl-2,4-dioxo(1H,3H)pyrimido dimethyltetrathiafulvalene; 2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-4,6-dimethyl-1,3-dithiolo[4,5-d]pyrimidine-5,7(4H,6H)-dione; 4H-[1,3]Dithiolo[4,5-d]pyrimidine-5,7-dione, 2-(4,5-dimethyl-[1,3]dithiol-2-ylidene)-4,6-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658469	.	.	.	.	344.5	C12H12N2O2S4	142	619	2.6	20	0	6	0	InChI=1S/C12H12N2O2S4/c1-5-6(2)18-10(17-5)11-19-7-8(15)13(3)12(16)14(4)9(7)20-11/h1-4H3	CC1=C(SC(=C2SC3=C(S2)N(C(=O)N(C3=O)C)C)S1)C	ZHYZLWFRVZJFOG-UHFFFAOYSA-N
DG54982	"2-(2-Chloroethyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile"	377271	"NSC658524; 2-(2-Chloroethyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile; CHEMBL1993888; NSC-658524; 2-(2-chloroethyl)-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile; NCI60_020604"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658524	.	.	.	.	285.73	C15H12ClN3O	56.1	569	2	20	1	3	2	"InChI=1S/C15H12ClN3O/c1-9-10(6-7-16)15(20)19-13-5-3-2-4-12(13)18-14(19)11(9)8-17/h2-5,18H,6-7H2,1H3"	CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)CCCl	HNKIYCZXANRAMC-UHFFFAOYSA-N
DG54983	"2-(2-Methoxyethyl)-3,5-dimethyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile"	377272	"NSC658525; 2-(2-Methoxyethyl)-3,5-dimethyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile; CHEMBL1965416; ZINC1636638; MCULE-7858700454; NSC-658525; NCI60_020605; AE-406/41057053; 2-(2-methoxyethyl)-3,5-dimethyl-1-oxo-pyrido[1,2-a]benzimidazole-4-carbonitrile; 2-(2-Methoxyethyl)-3,5-dimethyl-4-cyanopyrido[1,2-a]benzimidazol-1(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658525	.	.	.	.	295.34	C17H17N3O2	56.6	611	1.4	22	0	4	3	"InChI=1S/C17H17N3O2/c1-11-12(8-9-22-3)17(21)20-15-7-5-4-6-14(15)19(2)16(20)13(11)10-18/h4-7H,8-9H2,1-3H3"	CC1=C(C(=O)N2C3=CC=CC=C3N(C2=C1C#N)C)CCOC	WTTMVWXCPHQNLC-UHFFFAOYSA-N
DG54984	"1-Azido-2-(2-chloroethyl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile"	377273	"NSC658526; CHEMBL2006414; ZINC16958385; NSC-658526; NCI60_020606; 1-azido-2-(2-chloroethyl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile; 2-(2-Chloroethyl)-3-methyl-1-(2.lambda.~5~-1,2-triazadienyl)pyrido[1,2-a]benzimidazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658526	.	.	.	.	310.74	C15H11ClN6	55.4	509	5.4	22	0	4	3	"InChI=1S/C15H11ClN6/c1-9-10(6-7-16)15(20-21-18)22-13-5-3-2-4-12(13)19-14(22)11(9)8-17/h2-5H,6-7H2,1H3"	CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCCl)N=[N+]=[N-])C#N	AKNJQLUSTDVMMT-UHFFFAOYSA-N
DG54985	"2-(2-Chloroethyl)-3-methyl-1-((triphenylphosphoranylidene)amino)pyrido[1,2-a]benzimidazole-4-carbonitrile"	377274	"NSC658527; CHEMBL1981437; NSC-658527; 2-(2-Chloroethyl)-3-methyl-1-((triphenylphosphoranylidene)amino)pyrido[1,2-a]benzimidazole-4-carbonitrile; NCI60_020607; 2-(2-chloroethyl)-3-methyl-1-[(triphenyl-$l^{5}-phosphanylidene)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658527	.	.	.	.	545	C33H26ClN4P	53.4	860	9	39	0	3	6	"InChI=1S/C33H26ClN4P/c1-24-28(21-22-34)33(38-31-20-12-11-19-30(31)36-32(38)29(24)23-35)37-39(25-13-5-2-6-14-25,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-20H,21-22H2,1H3"	CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCCl)N=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C#N	JTCOKXBPQAUCQI-UHFFFAOYSA-N
DG54986	"4(1H)-Pyrimidinone, 5,6-dihydro-2-(methylthio)-1-(2,3,4-tri-O-acetylpentopyranosyl)-"	377340	"NSC658777; CHEMBL1984916; NSC-658777; 4(1H)-Pyrimidinone, 5,6-dihydro-2-(methylthio)-1-(2,3,4-tri-O-acetylpentopyranosyl)-; NCI60_020667; [4,5-diacetoxy-6-(2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)tetrahydropyran-3-yl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658777	.	.	.	.	402.4	C16H22N2O8S	146	652	-0.1	27	0	9	8	"InChI=1S/C16H22N2O8S/c1-8(19)24-11-7-23-15(18-6-5-12(22)17-16(18)27-4)14(26-10(3)21)13(11)25-9(2)20/h11,13-15H,5-7H2,1-4H3"	CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2CCC(=O)N=C2SC	AMBHRAQWYQTWTM-UHFFFAOYSA-N
DG54987	"Thymidine, 3'-azido-3'-deoxy-5'-oxo-"	377346	"NSC658787; Thymidine, 3'-azido-3'-deoxy-5'-oxo-; CHEMBL1968198; NSC-658787; NCI60_020672; 3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-carboxylic acid; .beta.-D-erythro-Pentofuranuronic acid, 3-azido- 1,2, 3-trideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-; .beta.-D-erythro-Pentofuranuronic acid,2,3-trideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658787	.	.	.	.	281.23	C10H11N5O5	110	552	0.3	20	2	7	3	"InChI=1S/C10H11N5O5/c1-4-3-15(10(19)12-8(4)16)6-2-5(13-14-11)7(20-6)9(17)18/h3,5-7H,2H2,1H3,(H,17,18)(H,12,16,19)"	CC1=CN(C(=O)NC1=O)C2CC(C(O2)C(=O)O)N=[N+]=[N-]	YPULTFJGCRVCPG-UHFFFAOYSA-N
DG54988	NSC658828	377385	"[(2R,4R,6S,10S,11S)-2,8-diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate; NSC658828; NSC-658828; NCI60_020683"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658828	.	.	.	.	490.5	C26H34O9	133	1030	1.8	35	1	9	6	"InChI=1S/C26H34O9/c1-11-15-8-16(33-12(2)27)20-25(7)18(34-13(3)28)9-17(30)24(5,6)21(25)19(31)23(35-14(4)29)26(20,10-15)22(11)32/h15-18,20-21,23,30H,1,8-10H2,2-7H3/t15 ,16-,17-,18 ,20-,21+,23-,25 ,26 /m0/s1"	CC(=O)O[C@H]1CC2CC3([C@@H]1C4([C@H](C(=O)[C@@H]3OC(=O)C)C([C@H](CC4OC(=O)C)O)(C)C)C)C(=O)C2=C	WQVYSFSBBFDGRG-BIAOQMDSSA-N
DG54989	Weisiensin A	377386	"Weisiensin A; NSC658829; 119763-89-2; DTXSID80923102; NSC-658829; NCI60_020684; 3,6-Dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658829	.	.	.	.	492.6	C26H36O9	136	985	1.6	35	2	9	6	"InChI=1S/C26H36O9/c1-11-15-8-16(33-12(2)27)20-25(7)18(34-13(3)28)9-17(30)24(5,6)21(25)19(31)23(35-14(4)29)26(20,10-15)22(11)32/h15-21,23,30-31H,1,8-10H2,2-7H3/t15 ,16-,17-,18 ,19 ,20 ,21+,23-,25 ,26 /m0/s1"	CC(=O)O[C@H]1CC2CC3(C1C4([C@H](C([C@@H]3OC(=O)C)O)C([C@H](CC4OC(=O)C)O)(C)C)C)C(=O)C2=C	QTLPNFQMZWBMDF-QWOINNSUSA-N
DG54990	"N-[2-(Dimethylamino)ethyl]-11-oxo-11H-indeno[1,2-b]quinoxaline-6-carboxamide"	377390	"NSC658832; CHEMBL62789; NSC-658832; NCI60_020687; N-[2-(Dimethylamino)ethyl]-11-oxo-11H-indeno[1,2-b]quinoxaline-6-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658832	.	.	.	.	346.4	C20H18N4O2	75.2	552	2	26	1	5	4	"InChI=1S/C20H18N4O2/c1-24(2)11-10-21-20(26)14-8-5-9-15-16(14)23-17-12-6-3-4-7-13(12)19(25)18(17)22-15/h3-9H,10-11H2,1-2H3,(H,21,26)"	CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C(=N2)C4=CC=CC=C4C3=O	QBFJJQWOTWRKPL-UHFFFAOYSA-N
DG54991	6-(Acetylamino)-2-(3-chlorophenyl)quinolin-4(1H)-one	377394	CHEMBL114661; NSC658837; SCHEMBL8980312; BDBM50470024; NSC-658837; NCI60_020692; 6-(Acetylamino)-2-(3-chlorophenyl)quinolin-4(1H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658837	.	.	.	.	312.7	C17H13ClN2O2	58.2	491	3	22	2	3	2	"InChI=1S/C17H13ClN2O2/c1-10(21)19-13-5-6-15-14(8-13)17(22)9-16(20-15)11-3-2-4-12(18)7-11/h2-9H,1H3,(H,19,21)(H,20,22)"	CC(=O)NC1=CC2=C(C=C1)NC(=CC2=O)C3=CC(=CC=C3)Cl	JPIAGESTEGBCNE-UHFFFAOYSA-N
DG54992	"6-(3-Ethoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	377395	"CHEMBL114883; NSC658838; SCHEMBL8980492; ZINC1636759; BDBM50470021; NSC-658838; NCI60_020693; 1,5-g]quinolin-8-one, 6-(3-ethoxyphenyl)- 5,8-dihydro-; 6-(3-Ethoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658838	.	.	.	.	309.3	C18H15NO4	56.8	491	3.3	23	1	5	3	"InChI=1S/C18H15NO4/c1-2-21-12-5-3-4-11(6-12)14-8-16(20)13-7-17-18(23-10-22-17)9-15(13)19-14/h3-9H,2,10H2,1H3,(H,19,20)"	CCOC1=CC=CC(=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4	ONUOKWPZQYINMT-UHFFFAOYSA-N
DG54993	6-Amino-2-(3-methoxyphenyl)quinolin-4(1H)-one	377396	CHEMBL326527; NSC658839; SCHEMBL8980401; BDBM50470026; NSC-658839; NCI60_020694; 6-Amino-2-(3-methoxyphenyl)quinolin-4(1H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658839	.	.	.	.	266.29	C16H14N2O2	64.4	407	2.5	20	2	4	2	"InChI=1S/C16H14N2O2/c1-20-12-4-2-3-10(7-12)15-9-16(19)13-8-11(17)5-6-14(13)18-15/h2-9H,17H2,1H3,(H,18,19)"	COC1=CC=CC(=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)N	KAMPMGHHVYJNFF-UHFFFAOYSA-N
DG54994	6-Amino-2-(3-chlorophenyl)quinolin-4(1H)-one	377397	CHEMBL420676; NSC658840; SCHEMBL8980201; ZINC5580624; BDBM50470023; NSC-658840; NCI60_020695; 6-Amino-2-(3-chlorophenyl)quinolin-4(1H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658840	.	.	.	.	270.71	C15H11ClN2O	55.1	396	3.1	19	2	3	1	"InChI=1S/C15H11ClN2O/c16-10-3-1-2-9(6-10)14-8-15(19)12-7-11(17)4-5-13(12)18-14/h1-8H,17H2,(H,18,19)"	C1=CC(=CC(=C1)Cl)C2=CC(=O)C3=C(N2)C=CC(=C3)N	KZBZGOGDWGDLMZ-UHFFFAOYSA-N
DG54995	5-Mercapto-2-phenyl-4-quinolone	377400	5-Mercapto-2-phenyl-4-quinolone; NSC658843; 2-phenyl-5-sulfanyl-1H-quinolin-4-one; 5SH-2Ph-Quinol4one; CHEMBL1966589; NSC-658843; NCI60_020698	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658843	.	.	.	.	253.32	C15H11NOS	30.1	360	3.3	18	2	3	1	"InChI=1S/C15H11NOS/c17-13-9-12(10-5-2-1-3-6-10)16-11-7-4-8-14(18)15(11)13/h1-9,18H,(H,16,17)"	C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=CC=C3S	XDXDOSAYNRPOIS-UHFFFAOYSA-N
DG54996	"1-Ethyl-2-(chloromethyl)-1H-naphth[2,3-d]imidazole-4,9-dione"	377403	"NSC658846; CHEMBL1980203; NSC-658846; NCI60_020701; 1-Ethyl-2-(chloromethyl)-1H-naphth[2,3-d]imidazole-4,9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658846	.	.	.	.	274.7	C14H11ClN2O2	52	401	2.4	19	0	3	2	"InChI=1S/C14H11ClN2O2/c1-2-17-10(7-15)16-11-12(17)14(19)9-6-4-3-5-8(9)13(11)18/h3-6H,2,7H2,1H3"	CCN1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)CCl	QVFKXVCIIGIGND-UHFFFAOYSA-N
DG54997	"2-[(4-Fluorobenzoyl)amino]-3-chloro-1,4-naphthoquinone"	377404	"NSC658847; CHEMBL1986949; NSC-658847; NCI60_020702; 2-[(4-Fluorobenzoyl)amino]-3-chloro-1,4-naphthoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658847	.	.	.	.	329.7	C17H9ClFNO3	63.2	566	3.4	23	1	4	2	"InChI=1S/C17H9ClFNO3/c18-13-14(20-17(23)9-5-7-10(19)8-6-9)16(22)12-4-2-1-3-11(12)15(13)21/h1-8H,(H,20,23)"	C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC(=O)C3=CC=C(C=C3)F	QGZPWPPPKVFWGG-UHFFFAOYSA-N
DG54998	"N-[3-(ethylamino)-1,4-dioxonaphthalen-2-yl]-4-fluorobenzamide"	377405	NSC658848; CHEMBL1978460; NSC-658848; NCI60_020703	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658848	.	.	.	.	338.3	C19H15FN2O3	75.3	594	2.3	25	2	5	4	"InChI=1S/C19H15FN2O3/c1-2-21-15-16(22-19(25)11-7-9-12(20)10-8-11)18(24)14-6-4-3-5-13(14)17(15)23/h3-10,21H,2H2,1H3,(H,22,25)"	CCNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C3=CC=C(C=C3)F	ZFGAEDYHZYWSJN-UHFFFAOYSA-N
DG54999	"2-[(3,5-Dimethoxybenzoyl)amino]-3-chloro-1,4-naphthoquinone"	377407	"NSC658850; CHEMBL1994901; NSC-658850; NCI60_020705; 2-[(3,5-Dimethoxybenzoyl)amino]-3-chloro-1,4-naphthoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658850	.	.	.	.	371.8	C19H14ClNO5	81.7	619	3.3	26	1	5	4	"InChI=1S/C19H14ClNO5/c1-25-11-7-10(8-12(9-11)26-2)19(24)21-16-15(20)17(22)13-5-3-4-6-14(13)18(16)23/h3-9H,1-2H3,(H,21,24)"	COC1=CC(=CC(=C1)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)OC	VOXQMBVJNHOSCK-UHFFFAOYSA-N
DG55000	"2-[(3,5-Dimethoxybenzoyl)amino]-3-(ethylamino)-1,4-naphthoquinone"	377408	"NSC658851; CHEMBL35708; CHEMBL1981318; NSC-658851; NCI60_020706; 2-[(3,5-Dimethoxybenzoyl)amino]-3-(ethylamino)-1,4-naphthoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658851	.	.	.	.	380.4	C21H20N2O5	93.7	647	2.1	28	2	6	6	"InChI=1S/C21H20N2O5/c1-4-22-17-18(20(25)16-8-6-5-7-15(16)19(17)24)23-21(26)12-9-13(27-2)11-14(10-12)28-3/h5-11,22H,4H2,1-3H3,(H,23,26)"	CCNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C3=CC(=CC(=C3)OC)OC	FYBLJZWDOQWAOU-UHFFFAOYSA-N
DG55001	"1-Ethyl-2-(3,5-dimethoxyphenyl)-1H-naphth[2,3-d]imidazole-4,9-dione"	377409	"NSC658852; CHEMBL1967839; NSC-658852; NCI60_020707; 1-Ethyl-2-(3,5-dimethoxyphenyl)-1H-naphth[2,3-d]imidazole-4,9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658852	.	.	.	.	362.4	C21H18N2O4	70.4	571	3.5	27	0	5	4	"InChI=1S/C21H18N2O4/c1-4-23-18-17(19(24)15-7-5-6-8-16(15)20(18)25)22-21(23)12-9-13(26-2)11-14(10-12)27-3/h5-11H,4H2,1-3H3"	CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)N=C1C4=CC(=CC(=C4)OC)OC	FAEMHGXSUPXMRQ-UHFFFAOYSA-N
DG55002	"N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)benzamide"	377410	"CHEMBL502910; NSC658853; SCHEMBL7956944; KUC110490N; BDBM50479507; NSC-658853; NCI60_020708; KSC-279-067-1_2012-02-14; N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)benzamide; N-(3-chloro-1,4-dioxo-1,4-dihydro-naphthalene-2-yl)-benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658853	.	.	.	.	311.7	C17H10ClNO3	63.2	534	2.5	22	1	3	2	"InChI=1S/C17H10ClNO3/c18-13-14(19-17(22)10-6-2-1-3-7-10)16(21)12-9-5-4-8-11(12)15(13)20/h1-9H,(H,19,22)"	C1=CC=C(C=C1)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl	ADHBVWXFMCERTO-UHFFFAOYSA-N
DG55003	"N-[3-(ethylamino)-1,4-dioxonaphthalen-2-yl]benzamide"	377412	NSC658855; CHEMBL1971372; NSC-658855; NCI60_020710	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658855	.	.	.	.	320.3	C19H16N2O3	75.3	561	2.2	24	2	4	4	"InChI=1S/C19H16N2O3/c1-2-20-15-16(21-19(24)12-8-4-3-5-9-12)18(23)14-11-7-6-10-13(14)17(15)22/h3-11,20H,2H2,1H3,(H,21,24)"	CCNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C3=CC=CC=C3	DQZTZWKPXFODJF-UHFFFAOYSA-N
DG55004	"1-Ethyl-2-phenyl-1H-naphth[2,3-d]imidazole-4,9-dione"	377413	"NSC658856; CHEMBL1995540; NSC-658856; NCI60_020711; 1-Ethyl-2-phenyl-1H-naphth[2,3-d]imidazole-4,9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658856	.	.	.	.	302.3	C19H14N2O2	52	486	3.6	23	0	3	2	"InChI=1S/C19H14N2O2/c1-2-21-16-15(20-19(21)12-8-4-3-5-9-12)17(22)13-10-6-7-11-14(13)18(16)23/h3-11H,2H2,1H3"	CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)N=C1C4=CC=CC=C4	SOADXNLSDCQWQK-UHFFFAOYSA-N
DG55005	"2-[(4-Methoxybenzoyl)amino]-3-chloro-1,4-naphthoquinone"	377416	"NSC658859; CHEMBL1982898; SCHEMBL18425602; NSC-658859; NCI60_020714; 2-[(4-Methoxybenzoyl)amino]-3-chloro-1,4-naphthoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658859	.	.	.	.	341.7	C18H12ClNO4	72.5	578	3.3	24	1	4	3	"InChI=1S/C18H12ClNO4/c1-24-11-8-6-10(7-9-11)18(23)20-15-14(19)16(21)12-4-2-3-5-13(12)17(15)22/h2-9H,1H3,(H,20,23)"	COC1=CC=C(C=C1)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl	NBMSQIBRIQVBJJ-UHFFFAOYSA-N
DG55006	"1, 6-Methyl-2-phenyl-"	377425	"NSC658868; 1, 6-methyl-2-phenyl-; CHEMBL1971837; SCHEMBL16213598; ZINC5503961; NSC-658868; NCI60_020723"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658868	.	.	.	.	236.27	C15H12N2O	42	358	2.8	18	1	3	1	"InChI=1S/C15H12N2O/c1-10-7-12-14(18)8-13(17-15(12)16-9-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18)"	CC1=CC2=C(NC(=CC2=O)C3=CC=CC=C3)N=C1	WCFSVUHOIXDGEW-UHFFFAOYSA-N
DG55007	"5-methyl-2-phenyl-1H-1,8-naphthyridin-4-one"	377426	NSC658869; CHEMBL1974370; NSC-658869; NCI60_020724	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658869	.	.	.	.	236.27	C15H12N2O	42	358	2.8	18	1	3	1	"InChI=1S/C15H12N2O/c1-10-7-8-16-15-14(10)13(18)9-12(17-15)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18)"	CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC=CC=C3	WGNSONPPEWQOMA-UHFFFAOYSA-N
DG55008	"2-Phenyl-1,8-naphthyridin-4-ol"	377427	"CHEMBL97037; NSC658870; SCHEMBL3866419; 2-phenyl-1,8-naphthyridin-4-ol; 2-phenyl-1,8-naphthyridin-4-one; 2-Phenyl-1,8-naphthyridine-4-ol; 2-Phenyl-[1,8]naphthyridin-4-ol; ZINC5647151; BDBM50090711; NSC-658870; NCI60_020725"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658870	.	.	.	.	222.24	C14H10N2O	42	331	2.5	17	1	3	1	"InChI=1S/C14H10N2O/c17-13-9-12(10-5-2-1-3-6-10)16-14-11(13)7-4-8-15-14/h1-9H,(H,15,16,17)"	C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)N=CC=C3	IPVMHKHKTQYJIL-UHFFFAOYSA-N
DG55009	"2-Chloro-3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-5,8-dimethoxynaphthalene-1,4-dione"	377430	NSC658873; CHEMBL1981712; NSC-658873; NCI60_020728	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658873	.	.	.	.	424.9	C20H25ClN2O6	88.5	635	1.5	29	1	8	8	"InChI=1S/C20H25ClN2O6/c1-27-13-3-4-14(28-2)16-15(13)19(25)17(21)18(20(16)26)23-7-5-22(6-8-23)9-11-29-12-10-24/h3-4,24H,5-12H2,1-2H3"	COC1=C2C(=C(C=C1)OC)C(=O)C(=C(C2=O)N3CCN(CC3)CCOCCO)Cl	RAFVCDVLMOUGKS-UHFFFAOYSA-N
DG55010	"5,8-Dihydroxy-2-methoxynaphthalene-1,4-dione"	377431	"5,8-dihydroxy-2-methoxynaphthalene-1,4-dione; 14918-66-2; 5,8-Dihydroxy-2-methoxy-1,4-naphthoquinone; 2-Methoxy-5,8-dihydroxynaphthalene-1,4-dione; NSC658874; 6-Methoxynaphthazarin; 1,4-Naphthoquinone, 5,8-dihydroxy-2-methoxy-; 1,4-Naphthalenedione, 5,8-dihydroxy-2-methoxy-; CHEMBL1984396; DTXSID70327473; ZINC1636786; NSC-658874; 5,8-Dihydroxy-2-methoxynaphthoquinone #; NCI60_020729"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658874	.	.	.	.	220.18	C11H8O5	83.8	359	2	16	2	5	1	"InChI=1S/C11H8O5/c1-16-8-4-7(14)9-5(12)2-3-6(13)10(9)11(8)15/h2-4,12-13H,1H3"	COC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O	PMJJQZXJIRDYGM-UHFFFAOYSA-N
DG55011	"4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(4-methoxyphenyl)-"	377463	"141300-29-0; NSC658920; 4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(4-methoxyphenyl)-; 8-(4-Methoxyphenyl)-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidin-4(8H)-one; BRN 4881359; 1,8-Dihydro-8-(4-methoxyphenyl)-4H-pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one; 8-(4-Methoxyphenyl)-1,8-dihydro-4H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidin-4-one; CHEMBL1982786; DTXSID30161673; NSC-658920; NCI60_020742; 8-(4-methoxyphenyl)-1H-[1,2,4]triazolo[[ ]]pyrazolo[[ ]]pyrimidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658920	.	.	.	.	282.26	C13H10N6O2	86.2	499	0.9	21	1	5	2	"InChI=1S/C13H10N6O2/c1-21-9-4-2-8(3-5-9)18-7-15-19-12(20)10-6-14-17-11(10)16-13(18)19/h2-7H,1H3,(H,14,17)"	COC1=CC=C(C=C1)N2C=NN3C2=NC4=C(C3=O)C=NN4	XSUAKXJENOJVNQ-UHFFFAOYSA-N
DG55012	Bis(2-chloroethyl)-N-methyl-N-(5-methyl-2-nitrobenzyl) ammonium chloride	377472	NSC658928; CHEMBL274634; SCHEMBL8433515; Bis(2-chloroethyl)-N-methyl-N-(5-methyl-2-nitrobenzyl) ammonium chloride; NSC-658928	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658928	.	.	.	.	341.7	C13H19Cl3N2O2	45.8	291	.	20	0	3	6	"InChI=1S/C13H19Cl2N2O2.ClH/c1-11-3-4-13(16(18)19)12(9-11)10-17(2,7-5-14)8-6-15;/h3-4,9H,5-8,10H2,1-2H3;1H/q+1;/p-1"	CC1=CC(=C(C=C1)[N+](=O)[O-])C[N+](C)(CCCl)CCCl.[Cl-]	ISZVFCDIKRANOB-UHFFFAOYSA-M
DG55013	Bis(2-chloroethyl)-N-methyl-N-(3-methyl-2-nitrobenzyl)ammonium chloride	377474	NSC658929; CHEMBL12048; SCHEMBL8433039; Bis(2-chloroethyl)-N-methyl-N-(3-methyl-2-nitrobenzyl)ammonium chloride; NSC-658929	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658929	.	.	.	.	341.7	C13H19Cl3N2O2	45.8	291	.	20	0	3	6	"InChI=1S/C13H19Cl2N2O2.ClH/c1-11-4-3-5-12(13(11)16(18)19)10-17(2,8-6-14)9-7-15;/h3-5H,6-10H2,1-2H3;1H/q+1;/p-1"	CC1=C(C(=CC=C1)C[N+](C)(CCCl)CCCl)[N+](=O)[O-].[Cl-]	OCZXJFKIICRYLZ-UHFFFAOYSA-M
DG55014	"1,2-Bis(4-methoxyphenyl)-2-butanol"	377479	"NSC658945; 1,2-Bis(4-methoxyphenyl)-2-butanol; 1,2-bis(4-methoxyphenyl)butan-2-ol; CHEMBL1990402; NSC-658945; NCI60_020753"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658945	.	.	.	.	286.4	C18H22O3	38.7	291	3.7	21	1	3	6	"InChI=1S/C18H22O3/c1-4-18(19,15-7-11-17(21-3)12-8-15)13-14-5-9-16(20-2)10-6-14/h5-12,19H,4,13H2,1-3H3"	CCC(CC1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)O	XGOLDWMWZCJQPE-UHFFFAOYSA-N
DG55015	"10-chloro-7-(cyclopropylmethyl)-1-(4-nitrophenyl)-3,11b-diphenyl-5H-[1,2,4]triazolo[4,3-d][1,4]benzodiazepin-6-one"	377490	"NSC658958; CHEMBL1998667; NSC-658958; 10-chloro-7-(cyclopropylmethyl)-1-(4-nitrophenyl)-3,11b-diphenyl-5H-[1,2,4]triazolo[4,3-d][1,4]benzodiazepin-6-one; NCI60_020764; 10-Chloro-7-(cyclopropylmethyl)-1-(4-(hydroxy(oxido)amino)phenyl)-3,11b-diphenyl-7,11b-dihydro-1H-[1,2,4]triazolo[4,3-d][1,4]benzodiazepin-6(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658958	.	.	.	.	564	C32H26ClN5O3	85	1010	6.7	41	0	5	5	"InChI=1S/C32H26ClN5O3/c33-25-13-18-29-28(19-25)32(24-9-5-2-6-10-24)36(21-30(39)35(29)20-22-11-12-22)31(23-7-3-1-4-8-23)34-37(32)26-14-16-27(17-15-26)38(40)41/h1-10,13-19,22H,11-12,20-21H2"	C1CC1CN2C(=O)CN3C(=NN(C3(C4=C2C=CC(=C4)Cl)C5=CC=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-])C7=CC=CC=C7	UTQYGDCILBVUDZ-UHFFFAOYSA-N
DG55016	"9-Butyl-1,2,3,4,5,6,7,8-octahydroacridin-4-ol"	377556	"NSC659123; 99922-91-5; 9-butyl-1,2,3,4,5,6,7,8-octahydroacridin-4-ol; 9-Butyl-1,2,3,4,5,6,7,8-octahydro-4-acridinol; CHEMBL1974920; SCHEMBL10287315; DTXSID10327477; NSC-659123; NCI60_020797"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659123	.	.	.	.	259.399	C17H25NO	33.1	293	3.9	19	1	2	3	"InChI=1S/C17H25NO/c1-2-3-7-12-13-8-4-5-10-15(13)18-17-14(12)9-6-11-16(17)19/h16,19H,2-11H2,1H3"	CCCCC1=C2CCCC(C2=NC3=C1CCCC3)O	KASONYUJHMHLCL-UHFFFAOYSA-N
DG55017	2-(10H-Phenothiazin-10-yl)ethyl methylcarbamate	377569	NSC659134; 2-(10H-Phenothiazin-10-yl)ethyl methylcarbamate; 2-phenothiazin-10-ylethyl N-methylcarbamate; CHEMBL1992375; ZINC1636911; NSC-659134; NCI60_020805	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659134	.	.	.	.	300.4	C16H16N2O2S	66.9	344	3.9	21	1	4	4	"InChI=1S/C16H16N2O2S/c1-17-16(19)20-11-10-18-12-6-2-4-8-14(12)21-15-9-5-3-7-13(15)18/h2-9H,10-11H2,1H3,(H,17,19)"	CNC(=O)OCCN1C2=CC=CC=C2SC3=CC=CC=C31	XOFQVAXBLDDAKA-UHFFFAOYSA-N
DG55018	"Undecanamide, 11,11'-dithiobis(N-vanillyl-"	377615	"Undecanamide, 11,11'-dithiobis(N-vanillyl-; NSC659192; 102612-99-7; 11,11'-Dithiobis(N-vanillylundecanamide); CHEMBL1969676; DTXSID30145372; NSC-659192; NCI60_020855; 11,11'-Dithiobis[N-(4-hydroxy-3-methoxybenzyl)undecanamide]; Undecanamide, 11,11'-dithiobis[N-[(4-hydroxy-3-methoxyphenyl)methyl]-; N-[(4-hydroxy-3-methoxy-phenyl)methyl]-11-[[11-[(4-hydroxy-3-methoxy-phenyl)methylamino]-11-oxo-undecyl]disulfanyl]undecanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659192	.	.	.	.	705	C38H60N2O6S2	168	745	9.2	48	4	8	29	"InChI=1S/C38H60N2O6S2/c1-45-35-27-31(21-23-33(35)41)29-39-37(43)19-15-11-7-3-5-9-13-17-25-47-48-26-18-14-10-6-4-8-12-16-20-38(44)40-30-32-22-24-34(42)36(28-32)46-2/h21-24,27-28,41-42H,3-20,25-26,29-30H2,1-2H3,(H,39,43)(H,40,44)"	COC1=C(C=CC(=C1)CNC(=O)CCCCCCCCCCSSCCCCCCCCCCC(=O)NCC2=CC(=C(C=C2)O)OC)O	ZQLIHLFWNQYXJE-UHFFFAOYSA-N
DG55019	"2-[[2,6-Bis[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-4-pyridyl]methyl]-1,1,1,3,3,3-hexafluoro-propan-2-ol"	377661	"NSC659242; CHEMBL1976364; ZINC82175279; NSC-659242; NCI60_020903; 2,4,6-Pyridinetriethanol, .alpha.,.alpha.,.alpha.',.alpha.',.alpha.'',.alpha.''-hexakis(trifluoromethyl)-; 2-[[2,6-bis[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-4-pyridyl]methyl]-1,1,1,3,3,3-hexafluoro-propan-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659242	.	.	.	.	619.24	C17H11F18NO3	73.6	747	6	39	3	22	6	"InChI=1S/C17H11F18NO3/c18-12(19,20)9(37,13(21,22)23)3-6-1-7(4-10(38,14(24,25)26)15(27,28)29)36-8(2-6)5-11(39,16(30,31)32)17(33,34)35/h1-2,37-39H,3-5H2"	C1=C(C=C(N=C1CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O	DHLZQCZWFGKLCH-UHFFFAOYSA-N
DG55020	"5,5,5-Trifluoro-1-(2-furyl)-4-(trifluoromethyl)-1,2,4-pentanetriol"	377676	"NSC659255; 5,5,5-Trifluoro-1-(2-furyl)-4-(trifluoromethyl)-1,2,4-pentanetriol; CHEMBL1969030; NSC-659255; NCI60_020916; 5,5,5-trifluoro-1-(2-furyl)-4-(trifluoromethyl)pentane-1,2,4-triol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659255	.	.	.	.	308.17	C10H10F6O4	73.8	315	1.3	20	3	10	4	"InChI=1S/C10H10F6O4/c11-9(12,13)8(19,10(14,15)16)4-5(17)7(18)6-2-1-3-20-6/h1-3,5,7,17-19H,4H2"	C1=COC(=C1)C(C(CC(C(F)(F)F)(C(F)(F)F)O)O)O	BNRJVCNLYBKRKO-UHFFFAOYSA-N
DG55021	"6-Chloro-7-[2-(dimethylamino)ethylamino]-5,8-dihydroxynaphthalene-1,4-dione;hydrochloride"	377696	NSC659287; CHEMBL1976013; NSC-659287	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659287	.	.	.	.	347.2	C14H16Cl2N2O4	89.9	454	.	22	4	6	4	"InChI=1S/C14H15ClN2O4.ClH/c1-17(2)6-5-16-12-11(15)13(20)9-7(18)3-4-8(19)10(9)14(12)21;/h3-4,16,20-21H,5-6H2,1-2H3;1H"	CN(C)CCNC1=C(C2=C(C(=O)C=CC2=O)C(=C1Cl)O)O.Cl	YESQUZBORKHFRO-UHFFFAOYSA-N
DG55022	3-Pyridin-3-ylquinoline-4-carbohydrazide	377698	NSC659289; CHEMBL2007404; ZINC12941433; NSC-659289; NCI60_020935	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659289	.	.	.	.	264.28	C15H12N4O	80.9	349	1.3	20	2	4	2	"InChI=1S/C15H12N4O/c16-19-15(20)14-11-5-1-2-6-13(11)18-9-12(14)10-4-3-7-17-8-10/h1-9H,16H2,(H,19,20)"	C1=CC=C2C(=C1)C(=C(C=N2)C3=CN=CC=C3)C(=O)NN	QSZGYZIPEFXMQA-UHFFFAOYSA-N
DG55023	"2-((4,4-Dimethyl-3-oxo-1-phenyl-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid"	377752	"NSC659343; 2-((4,4-Dimethyl-3-oxo-1-phenyl-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid; CHEMBL1988281; NSC-659343; NCI60_020968; 2-[4,4-dimethyl-3-oxo-1-phenyl-5-(1-piperidyl)pentyl]sulfanylethanesulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659343	.	.	.	.	413.6	C20H31NO4S2	108	559	0.4	27	1	6	10	"InChI=1S/C20H31NO4S2/c1-20(2,16-21-11-7-4-8-12-21)19(22)15-18(17-9-5-3-6-10-17)26-13-14-27(23,24)25/h3,5-6,9-10,18H,4,7-8,11-16H2,1-2H3,(H,23,24,25)"	CC(C)(CN1CCCCC1)C(=O)CC(C2=CC=CC=C2)SCCS(=O)(=O)O	YCBDINIVTFNIDF-UHFFFAOYSA-N
DG55024	"2-((1-(4-Chlorophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid"	377755	"NSC659346; 2-((1-(4-Chlorophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid; CHEMBL1998242; NSC-659346; NCI60_020971; 2-[1-(4-chlorophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidyl)pentyl]sulfanylethanesulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659346	.	.	.	.	448	C20H30ClNO4S2	108	592	1	28	1	6	10	"InChI=1S/C20H30ClNO4S2/c1-20(2,15-22-10-4-3-5-11-22)19(23)14-18(27-12-13-28(24,25)26)16-6-8-17(21)9-7-16/h6-9,18H,3-5,10-15H2,1-2H3,(H,24,25,26)"	CC(C)(CN1CCCCC1)C(=O)CC(C2=CC=C(C=C2)Cl)SCCS(=O)(=O)O	XTBVWNNCEKSYAE-UHFFFAOYSA-N
DG55025	"2-((1-(3,4-Dichlorophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid"	377756	"NSC659347; 2-((1-(3,4-Dichlorophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid; CHEMBL1976068; NSC-659347; NCI60_020972; 2-[1-(3,4-dichlorophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidyl)pentyl]sulfanylethanesulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659347	.	.	.	.	482.5	C20H29Cl2NO4S2	108	633	1.7	29	1	6	10	"InChI=1S/C20H29Cl2NO4S2/c1-20(2,14-23-8-4-3-5-9-23)19(24)13-18(28-10-11-29(25,26)27)15-6-7-16(21)17(22)12-15/h6-7,12,18H,3-5,8-11,13-14H2,1-2H3,(H,25,26,27)"	CC(C)(CN1CCCCC1)C(=O)CC(C2=CC(=C(C=C2)Cl)Cl)SCCS(=O)(=O)O	CCUSHBCCOCSMDD-UHFFFAOYSA-N
DG55026	"3-Methyl-2-methylimino-2,3-dihydro-naphtho[2,3-d]thiazole-4,9-dione"	377877	"NSC659501; MLS002701602; NCIMech_000388; CHEMBL1713009; CHEMBL1999410; SCHEMBL23484217; 3-Methyl-2-methylimino-2,3-dihydro-naphtho[2,3-d]thiazole-4,9-dione; CCG-35953; ZINC17223211; ZINC102797939; NSC-659501; NCI60_020998; SMR001565203; Naphtho[2,9-dione, 3-methyl-2-(methylimino)-; (2Z)-3-methyl-2-methylimino-benzo[f][1,3]benzothiazole-4,9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659501	.	.	.	.	258.3	C13H10N2O2S	75	495	2	18	0	4	0	"InChI=1S/C13H10N2O2S/c1-14-13-15(2)9-10(16)7-5-3-4-6-8(7)11(17)12(9)18-13/h3-6H,1-2H3"	CN=C1N(C2=C(S1)C(=O)C3=CC=CC=C3C2=O)C	GWLABUXKVMQBNY-UHFFFAOYSA-N
DG55027	"2-(3,3-Butadiene"	377927	"NSC659550; 2-(3,3-butadiene; CHEMBL2000126; NSC-659550; NCI60_021001"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659550	.	.	.	.	296.04	C10H16Br2	0	171	4.9	12	0	0	5	"InChI=1S/C10H16Br2/c1-5-8(2)6-7-9(11)10(3,4)12/h5,9H,1-2,6-7H2,3-4H3"	CC(C)(C(CCC(=C)C=C)Br)Br	UKGJPTUUIZABLR-UHFFFAOYSA-N
DG55028	"3,6-Dibromo-3-bromomethyl-7-chloro-7-methyl-1-octene"	377929	"NSC659552; 3,6-Dibromo-3-bromomethyl-7-chloro-7-methyl-1-octene; CHEMBL1973889; NSC-659552; NCI60_021003"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659552	.	.	.	.	411.4	C10H16Br3Cl	0	194	5	14	0	0	6	"InChI=1S/C10H16Br3Cl/c1-4-10(13,7-11)6-5-8(12)9(2,3)14/h4,8H,1,5-7H2,2-3H3"	CC(C)(C(CCC(CBr)(C=C)Br)Br)Cl	BIJRAENMNMOHHB-UHFFFAOYSA-N
DG55029	"2,6-Tribromo-7-chloro-3,7-dimethyl-1-octene"	377930	"NSC659553; CHEMBL1983218; SCHEMBL17183608; NSC-659553; NCI60_021004; 2,6-Tribromo-7-chloro-3,7-dimethyl-1-octene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659553	.	.	.	.	411.4	C10H16Br3Cl	0	215	5.1	14	0	0	5	"InChI=1S/C10H16Br3Cl/c1-7(11)10(4,13)6-5-8(12)9(2,3)14/h8H,1,5-6H2,2-4H3"	CC(C)(C(CCC(C)(C(=C)Br)Br)Br)Cl	ORSDYIOUHDVWAO-UHFFFAOYSA-N
DG55030	"1,6-Tribromo-3,7-dichloro-3,7-dimethyloctane"	377931	"NSC659555; CHEMBL2003797; NSC-659555; NCI60_021006; 1,6-Tribromo-3,7-dichloro-3,7-dimethyloctane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659555	.	.	.	.	447.9	C10H17Br3Cl2	0	199	5.4	15	0	0	6	"InChI=1S/C10H17Br3Cl2/c1-9(2,14)7(12)4-5-10(3,15)8(13)6-11/h7-8H,4-6H2,1-3H3"	CC(C)(C(CCC(C)(C(CBr)Br)Cl)Br)Cl	XFBFFDLDUMHHMB-UHFFFAOYSA-N
DG55031	(5-((4-Bromophenyl)diazenyl)-2-hydroxyphenyl)(2-(3-(2-chloroanilino)-3-oxopropanoyl)hydrazino)methylphosphonous acid	377940	NSC659608; CHEMBL1965052; NSC-659608; NCI60_021013; (5-((4-Bromophenyl)diazenyl)-2-hydroxyphenyl)(2-(3-(2-chloroanilino)-3-oxopropanoyl)hydrazino)methylphosphonous acid; [[5-[(E)-(4-bromophenyl)azo]-2-hydroxy-phenyl]-[2-[3-(2-chloroanilino)-3-oxo-propanoyl]hydrazino]methyl]phosphonous acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659608	.	.	.	.	580.8	C22H20BrClN5O5P	156	730	4.5	35	6	8	9	"InChI=1S/C22H20BrClN5O5P/c23-13-5-7-14(8-6-13)26-27-15-9-10-19(30)16(11-15)22(35(33)34)29-28-21(32)12-20(31)25-18-4-2-1-3-17(18)24/h1-11,22,29-30,33-34H,12H2,(H,25,31)(H,28,32)"	C1=CC=C(C(=C1)NC(=O)CC(=O)NNC(C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O)P(O)O)Cl	DPFMORBISMCQJC-UHFFFAOYSA-N
DG55032	3-(2-((5-((4-Bromophenyl)diazenyl)-2-hydroxyphenyl)(phenylthio)methyl)hydrazino)-N-(2-methylphenyl)-3-oxopropanamide	377941	NSC659609; CHEMBL1967658; NSC-659609; NCI60_021014; 3-(2-((5-((4-Bromophenyl)diazenyl)-2-hydroxyphenyl)(phenylthio)methyl)hydrazino)-N-(2-methylphenyl)-3-oxopropanamide; 3-[2-[[5-(4-bromophenyl)azo-2-hydroxy-phenyl]-phenylsulfanyl-methyl]hydrazino]-N-(o-tolyl)-3-oxo-propanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659609	.	.	.	.	604.5	C29H26BrN5O3S	141	806	7.7	39	4	7	10	"InChI=1S/C29H26BrN5O3S/c1-19-7-5-6-10-25(19)31-27(37)18-28(38)34-35-29(39-23-8-3-2-4-9-23)24-17-22(15-16-26(24)36)33-32-21-13-11-20(30)12-14-21/h2-17,29,35-36H,18H2,1H3,(H,31,37)(H,34,38)"	CC1=CC=CC=C1NC(=O)CC(=O)NNC(C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O)SC4=CC=CC=C4	QZOIWWKNCPHBQV-UHFFFAOYSA-N
DG55033	3-(2-((5-((4-Bromophenyl)diazenyl)-2-hydroxyphenyl)(phenylthio)methyl)hydrazino)-N-(2-chlorophenyl)-3-oxopropanamide	377942	NSC659610; CHEMBL2001507; NSC-659610; NCI60_021015; 3-(2-((5-((4-Bromophenyl)diazenyl)-2-hydroxyphenyl)(phenylthio)methyl)hydrazino)-N-(2-chlorophenyl)-3-oxopropanamide; 3-[2-[[5-[(E)-(4-bromophenyl)azo]-2-hydroxy-phenyl]-phenylsulfanyl-methyl]hydrazino]-N-(2-chlorophenyl)-3-oxo-propanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659610	.	.	.	.	624.9	C28H23BrClN5O3S	141	812	8	39	4	7	10	"InChI=1S/C28H23BrClN5O3S/c29-18-10-12-19(13-11-18)32-33-20-14-15-25(36)22(16-20)28(39-21-6-2-1-3-7-21)35-34-27(38)17-26(37)31-24-9-5-4-8-23(24)30/h1-16,28,35-36H,17H2,(H,31,37)(H,34,38)"	C1=CC=C(C=C1)SC(C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O)NNC(=O)CC(=O)NC4=CC=CC=C4Cl	XXVOSMFYUWWEIL-UHFFFAOYSA-N
DG55034	3-(2-((5-((4-Bromophenyl)diazenyl)-2-hydroxyphenyl)(phenylthio)methyl)hydrazino)-3-oxo-N-phenylpropanamide	377943	NSC659611; NSC-659611; CHEMBL1971445; NCI60_021016; 3-(2-((5-((4-Bromophenyl)diazenyl)-2-hydroxyphenyl)(phenylthio)methyl)hydrazino)-3-oxo-N-phenylpropanamide; 3-[2-[[5-[(E)-(4-bromophenyl)azo]-2-hydroxy-phenyl]-phenylsulfanyl-methyl]hydrazino]-3-oxo-N-phenyl-propanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659611	.	.	.	.	590.5	C28H24BrN5O3S	141	770	7.4	38	4	7	10	"InChI=1S/C28H24BrN5O3S/c29-19-11-13-21(14-12-19)31-32-22-15-16-25(35)24(17-22)28(38-23-9-5-2-6-10-23)34-33-27(37)18-26(36)30-20-7-3-1-4-8-20/h1-17,28,34-35H,18H2,(H,30,36)(H,33,37)"	C1=CC=C(C=C1)NC(=O)CC(=O)NNC(C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O)SC4=CC=CC=C4	BLPOTYOCUHPVBJ-UHFFFAOYSA-N
DG55035	(2-(3-Anilino-3-oxopropanoyl)hydrazino)(5-((4-bromophenyl)diazenyl)-2-hydroxyphenyl)methylphosphonous acid	377948	NSC659616; CHEMBL1981105; NSC-659616; NCI60_021021; (2-(3-Anilino-3-oxopropanoyl)hydrazino)(5-((4-bromophenyl)diazenyl)-2-hydroxyphenyl)methylphosphonous acid; [[2-(3-anilino-3-oxo-propanoyl)hydrazino]-[5-[(E)-(4-bromophenyl)azo]-2-hydroxy-phenyl]methyl]phosphonous acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659616	.	.	.	.	546.3	C22H21BrN5O5P	156	689	3.9	34	6	8	9	"InChI=1S/C22H21BrN5O5P/c23-14-6-8-16(9-7-14)25-26-17-10-11-19(29)18(12-17)22(34(32)33)28-27-21(31)13-20(30)24-15-4-2-1-3-5-15/h1-12,22,28-29,32-33H,13H2,(H,24,30)(H,27,31)"	C1=CC=C(C=C1)NC(=O)CC(=O)NNC(C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O)P(O)O	QHDLUUUQPFUOKO-UHFFFAOYSA-N
DG55036	CID 377971	377971	"MLS002701603; SMR001565204; NSC659648; CHEMBL1706454; NSC-659648; Naphthalene-1, 2-chloro-5,8-dihydroxy- 3-[4-(2-hydroxyethyl)-1-piperazinyl]-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659648	.	.	.	.	389.2	C16H18Cl2N2O5	101	535	.	25	4	7	3	"InChI=1S/C16H17ClN2O5.ClH/c17-13-14(19-5-3-18(4-6-19)7-8-20)16(24)12-10(22)2-1-9(21)11(12)15(13)23;/h1-2,20,23-24H,3-8H2;1H"	C1CN(CCN1CCO)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O.Cl	IDZWXPGOGYUGCH-UHFFFAOYSA-N
DG55037	"6H-Pyrido[4, 9-hydroxy-5,6-dimethyl-N-[2-(dimethylamino)ethyl]-, dihydrochloride"	378011	"NSC-659687; NSC659687; CHEMBL1971101; 6H-Pyrido[4, 9-hydroxy- 5,6-dimethyl-N-[2-(dimethylamino)ethyl]-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659687	.	.	.	.	412.9	C22H25ClN4O2	70.4	571	.	29	3	4	4	"InChI=1S/C22H24N4O2.ClH/c1-13-15-7-8-23-20(22(28)24-9-10-25(2)3)17(15)12-18-16-11-14(27)5-6-19(16)26(4)21(13)18;/h5-8,11-12,27H,9-10H2,1-4H3,(H,24,28);1H"	CC1=C2C=CN=C(C2=CC3=C1N(C4=C3C=C(C=C4)O)C)C(=O)NCCN(C)C.Cl	OJZJMRDORKFMOQ-UHFFFAOYSA-N
DG55038	2-Bromoleptoclinidinone	378074	"NSC659779; 2-Bromoleptoclinidinone; 2-Bromoascididemin; 109802-17-7; Bromoleptoclinidinone; 2-Bromoleptoclinidione; CHEMBL124315; SCHEMBL20259222; DTXSID20911366; ZINC1637466; CCG-36193; NSC 659779; NSC-659779; NCI60_021042; 6-Bromo-9H-quino[4,2-de][1,10]phenanthrolin-9-one; 6-Bromo-9H-quinolino[4,3,2-de][1,10]phenanthrolin-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659779	.	.	.	.	362.2	C18H8BrN3O	55.7	501	3.5	23	0	4	0	InChI=1S/C18H8BrN3O/c19-9-3-4-10-11-5-7-21-16-14(11)17(22-13(10)8-9)18(23)12-2-1-6-20-15(12)16/h1-8H	C1=CC2=C(C3=NC=CC4=C5C=CC(=CC5=NC(=C43)C2=O)Br)N=C1	CPXBDTZAJSRIKJ-UHFFFAOYSA-N
DG55039	"11-Methylpyrido[2,3-b]acridine-5,12-dione"	378075	"NSC659780; 11-methylpyrido[2,3-b]acridine-5,12-dione; Pyrido[2,3-b]acridine-5,12-dione, 11-methyl-; 127477-93-4; CHEMBL162159; DTXSID80327489; NSC-659780; NCI60_021043; 11-Methyl-1,6-diazanaphthacene-5,12-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659780	.	.	.	.	274.27	C17H10N2O2	59.9	464	3.1	21	0	4	0	"InChI=1S/C17H10N2O2/c1-9-10-5-2-3-7-12(10)19-15-13(9)17(21)14-11(16(15)20)6-4-8-18-14/h2-8H,1H3"	CC1=C2C(=NC3=CC=CC=C13)C(=O)C4=C(C2=O)N=CC=C4	PPOGFOSNBVRYBG-UHFFFAOYSA-N
DG55040	"5,5-Dimethyl-3-(2-((3-methyl-2-butenyl)sulfinyl)anilino)-2-cyclohexen-1-one"	378130	"NSC659934; 5,5-Dimethyl-3-(2-((3-methyl-2-butenyl)sulfinyl)anilino)-2-cyclohexen-1-one; CHEMBL1976948; 5,5-dimethyl-3-[2-(3-methylbut-2-enylsulfinyl)anilino]cyclohex-2-en-1-one; NSC-659934; NCI60_021057"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659934	.	.	.	.	331.5	C19H25NO2S	65.4	530	4.3	23	1	4	5	"InChI=1S/C19H25NO2S/c1-14(2)9-10-23(22)18-8-6-5-7-17(18)20-15-11-16(21)13-19(3,4)12-15/h5-9,11,20H,10,12-13H2,1-4H3"	CC(=CCS(=O)C1=CC=CC=C1NC2=CC(=O)CC(C2)(C)C)C	MJXQYWZMGCBKDH-UHFFFAOYSA-N
DG55041	CID 378196	378196	"NSC659999; MLS002701606; SMR001565207; CHEMBL1700996; CCG-35765; NSC-659999; Naphthalene-1, 2-bromo-5,8-dihydroxy- 3-[4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl]-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659999	.	.	.	.	477.7	C18H22BrClN2O6	111	580	.	28	4	8	6	"InChI=1S/C18H21BrN2O6.ClH/c19-15-16(21-5-3-20(4-6-21)7-9-27-10-8-22)18(26)14-12(24)2-1-11(23)13(14)17(15)25;/h1-2,22,25-26H,3-10H2;1H"	C1CN(CCN1CCOCCO)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Br)O)O.Cl	KHCWJSAGGSPDOF-UHFFFAOYSA-N
DG55042	"4-[(5S,8R,8aR)-5-anilino-8-methoxy-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol"	378223	NSC660026; NSC-660026; NCI60_021073	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660026	.	.	.	.	491.5	C28H29NO7	87.6	721	4.5	36	2	8	6	"InChI=1S/C28H29NO7/c1-31-22-9-15(10-23(32-2)27(22)30)24-17-11-20-21(36-14-35-20)12-18(17)26(29-16-7-5-4-6-8-16)19-13-34-28(33-3)25(19)24/h4-12,19,24-26,28-30H,13-14H2,1-3H3/t19 ,24 ,25-,26+,28+/m0/s1"	CO[C@H]1[C@H]2C(CO1)[C@@H](C3=CC4=C(C=C3C2C5=CC(=C(C(=C5)OC)O)OC)OCO4)NC6=CC=CC=C6	SYASBYQWDNGWKR-NEZYKZEESA-N
DG55043	"4-[(5S,8aR)-5-(4-fluoroanilino)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol"	378224	NSC660027; NSC-660027; NCI60_021074	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660027	.	.	.	.	479.5	C27H26FNO6	78.4	708	4.6	35	2	8	5	"InChI=1S/C27H26FNO6/c1-31-23-7-14(8-24(32-2)27(23)30)25-17-9-21-22(35-13-34-21)10-18(17)26(20-12-33-11-19(20)25)29-16-5-3-15(28)4-6-16/h3-10,19-20,25-26,29-30H,11-13H2,1-2H3/t19-,20 ,25 ,26+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@H]3COCC3[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)F	VLPHGXXQYKICOE-RDHLJCLJSA-N
DG55044	"4-[(5S,8aR)-5-anilino-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol"	378225	NSC660028; NSC-660028; NCI60_021075	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660028	.	.	.	.	461.5	C27H27NO6	78.4	674	4.5	34	2	7	5	"InChI=1S/C27H27NO6/c1-30-23-8-15(9-24(31-2)27(23)29)25-17-10-21-22(34-14-33-21)11-18(17)26(20-13-32-12-19(20)25)28-16-6-4-3-5-7-16/h3-11,19-20,25-26,28-29H,12-14H2,1-2H3/t19-,20 ,25 ,26+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@H]3COCC3[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=CC=C6	BMJWRZLUIIQSKY-RDHLJCLJSA-N
DG55045	NSC660029	378226	"(5S,8R,8aR)-5-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-8-ol; NSC660029; NSC-660029; NCI60_021076"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660029	.	.	.	.	495.5	C27H26FNO7	98.6	740	4	36	3	9	5	"InChI=1S/C27H26FNO7/c1-32-21-7-13(8-22(33-2)26(21)30)23-16-9-19-20(36-12-35-19)10-17(16)25(18-11-34-27(31)24(18)23)29-15-5-3-14(28)4-6-15/h3-10,18,23-25,27,29-31H,11-12H2,1-2H3/t18 ,23 ,24-,25+,27+/m0/s1"	COC1=CC(=CC(=C1O)OC)C2[C@H]3[C@@H](OCC3[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)F)O	MHPBLSKQDOZLPM-ASZLOBTNSA-N
DG55046	11-Methoxyrutecarprine	378228	"CHEMBL312149; NSC660031; 11-Methoxyrutecarprine; BDBM50131049; NSC-660031; NCI60_021078; 11-Methoxy-5,7,8,13-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazoline-5-one; 11-Methoxy-8,13-dihydro-7H-indolo[2'',3'':3,4]pyrido[2,1-b]quinazolin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660031	.	.	.	.	317.3	C19H15N3O2	57.7	563	3	24	1	3	1	"InChI=1S/C19H15N3O2/c1-24-11-6-7-12-13-8-9-22-18(17(13)20-16(12)10-11)21-15-5-3-2-4-14(15)19(22)23/h2-7,10,20H,8-9H2,1H3"	COC1=CC2=C(C=C1)C3=C(N2)C4=NC5=CC=CC=C5C(=O)N4CC3	POMASUJAYQAJQZ-UHFFFAOYSA-N
DG55047	"18,20-Dioxa-3,11,24-triazahexacyclo[12.10.0.02,11.04,9.015,23.017,21]tetracosa-1(14),2,4,6,8,15,17(21),22-octaen-10-one"	378229	NSC660032; CHEMBL356801; NSC-660032; NCI60_021079	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660032	.	.	.	.	331.3	C19H13N3O3	66.9	623	2.8	25	1	4	0	"InChI=1S/C19H13N3O3/c23-19-11-3-1-2-4-13(11)21-18-17-10(5-6-22(18)19)12-7-15-16(25-9-24-15)8-14(12)20-17/h1-4,7-8,20H,5-6,9H2"	C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=CC6=C(C=C5N4)OCO6	JXCROARSMNESFK-UHFFFAOYSA-N
DG55048	3-Diethylphosphono-6-hydroxycoumarin	378257	NSC660150; 3-Diethylphosphono-6-hydroxycoumarin; Diethyl 6-hydroxy-2-oxo-2H-chromen-3-ylphosphonate; CHEMBL1969510; ZINC1637652; NSC-660150; NCI60_021089; 3-diethoxyphosphoryl-6-hydroxy-chromen-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660150	.	.	.	.	298.23	C13H15O6P	82.1	436	1.6	20	1	6	5	"InChI=1S/C13H15O6P/c1-3-17-20(16,18-4-2)12-8-9-7-10(14)5-6-11(9)19-13(12)15/h5-8,14H,3-4H2,1-2H3"	CCOP(=O)(C1=CC2=C(C=CC(=C2)O)OC1=O)OCC	UTDNFPGHLMHWTI-UHFFFAOYSA-N
DG55049	6-(Acetylamino)-2-(3-methoxyphenyl)quinolin-4(1H)-one	378309	MLS000517800; CHEMBL325681; KUC100204; NSC660313; SCHEMBL8980346; HMS2199C21; KUC100204N; BDBM50470018; NSC-660313; NCI60_021117; SMR000129043; 6-(Acetylamino)-2-(3-methoxyphenyl)quinolin-4(1H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660313	.	.	.	.	308.3	C18H16N2O3	67.4	503	2.3	23	2	4	3	"InChI=1S/C18H16N2O3/c1-11(21)19-13-6-7-16-15(9-13)18(22)10-17(20-16)12-4-3-5-14(8-12)23-2/h3-10H,1-2H3,(H,19,21)(H,20,22)"	CC(=O)NC1=CC2=C(C=C1)NC(=CC2=O)C3=CC(=CC=C3)OC	XMMCHNWXMDDRGJ-UHFFFAOYSA-N
DG55050	"3-Chloropyrido[1,2-a]benzimidazole-1,4-dicarbonitrile"	378325	"3-Chloropyrido[1,2-a]benzimidazole-1,4-dicarbonitrile; NSC660334; CHEMBL1981005; NSC-660334; NCI60_021127; pyrido[1,2-a]benzimidazole-1,4-dicarbonitrile, 3-chloro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660334	.	.	.	.	252.66	C13H5ClN4	64.9	433	3.6	18	0	3	0	InChI=1S/C13H5ClN4/c14-10-5-8(6-15)18-12-4-2-1-3-11(12)17-13(18)9(10)7-16/h1-5H	C1=CC=C2C(=C1)N=C3N2C(=CC(=C3C#N)Cl)C#N	XKZVBIMEOHLGAK-UHFFFAOYSA-N
DG55051	"1,4-Dimethylpyrido[1,2-a]benzimidazole"	378347	NSC660429; CHEMBL1995708; NSC-660429; NCI60_021145	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660429	.	.	.	.	196.25	C13H12N2	17.3	241	4	15	0	1	0	"InChI=1S/C13H12N2/c1-9-7-8-10(2)15-12-6-4-3-5-11(12)14-13(9)15/h3-8H,1-2H3"	CC1=CC=C(N2C1=NC3=CC=CC=C32)C	WDJODMMCUIFZJS-UHFFFAOYSA-N
DG55052	"Pyrido[1,2-a]benzimidazole"	378348	"Pyrido[1,2-a]benzimidazole; 245-47-6; Benzo[4,5]imidazo[1,2-a]pyridine; pyrido(1,2-a)benzimidazole; NSC660430; SCHEMBL839837; Pyrido[1,2-a]benzimidazole #; CHEMBL1973116; DTXSID70327498; ZINC225781; AKOS006371672; NSC-660430; NCI60_021146; SR-01000512268; SR-01000512268-1; 1,8-Diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660430	.	.	.	.	168.19	C11H8N2	17.3	193	3.2	13	0	1	0	InChI=1S/C11H8N2/c1-2-6-10-9(5-1)12-11-7-3-4-8-13(10)11/h1-8H	C1=CC=C2C(=C1)N=C3N2C=CC=C3	FODVQKYUAIWTKY-UHFFFAOYSA-N
DG55053	"12,15-Dimethyl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene"	378349	NSC660431; CHEMBL1991349; NSC-660431; NCI60_021147	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660431	.	.	.	.	246.31	C17H14N2	17.3	342	4.8	19	0	1	0	"InChI=1S/C17H14N2/c1-11-7-8-12(2)19-16-10-14-6-4-3-5-13(14)9-15(16)18-17(11)19/h3-10H,1-2H3"	CC1=CC=C(N2C1=NC3=CC4=CC=CC=C4C=C32)C	WUJTZRCVOLEEPS-UHFFFAOYSA-N
DG55054	"6,11-Dimethylbenzimidazolo[1,2-b]isoquinoline"	378356	NSC660439; CHEMBL1966963; NSC-660439; NCI60_021155	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660439	.	.	.	.	246.31	C17H14N2	17.3	342	5.2	19	0	1	0	"InChI=1S/C17H14N2/c1-11-13-7-3-4-8-14(13)12(2)19-16-10-6-5-9-15(16)18-17(11)19/h3-10H,1-2H3"	CC1=C2C=CC=CC2=C(N3C1=NC4=CC=CC=C43)C	NEQHORGBYBHJJO-UHFFFAOYSA-N
DG55055	2-Chloro-3-[1-(4-(4'-acetophenone)piperazino)]-naphthazarin	378361	NSC660635; CHEMBL1979493; 2-Chloro-3-[1-(4-(4'-acetophenone)piperazino)]- naphthazarin; NSC-660635; NCI60_021159	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660635	.	.	.	.	426.8	C22H19ClN2O5	98.2	727	3.9	30	2	7	3	"InChI=1S/C22H19ClN2O5/c1-12(26)13-2-4-14(5-3-13)24-8-10-25(11-9-24)20-19(23)21(29)17-15(27)6-7-16(28)18(17)22(20)30/h2-7,29-30H,8-11H2,1H3"	CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C4=C(C(=O)C=CC4=O)C(=C3Cl)O)O	MDCOKMVQZVKCDW-UHFFFAOYSA-N
DG55056	NSC660637	378362	"6-chloro-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;(2R,3R)-2,3-dihydroxybutanedioic acid; NSC660637; NSC-660637; NCI60_021161"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660637	.	.	.	.	546.9	C22H27ClN2O12	226	714	.	37	7	14	9	"InChI=1S/C18H21ClN2O6.C4H6O6/c19-15-16(21-5-3-20(4-6-21)7-9-27-10-8-22)18(26)14-12(24)2-1-11(23)13(14)17(15)25;5-1(3(7)8)2(6)4(9)10/h1-2,22,25-26H,3-10H2;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1"	C1CN(CCN1CCOCCO)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O	QMXNVDPBFJGLCM-LREBCSMRSA-N
DG55057	9-(4-(2-Bromoethoxy)phenyl)-10-(4-methoxyphenyl)anthracene	378370	NSC660667; 9-(4-(2-Bromoethoxy)phenyl)-10-(4-methoxyphenyl)anthracene; 9-[4-(2-bromoethoxy)phenyl]-10-(4-methoxyphenyl)anthracene; CHEMBL1995487; NSC-660667; NCI60_021169	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660667	.	.	.	.	483.4	C29H23BrO2	18.5	542	8.4	32	0	2	6	"InChI=1S/C29H23BrO2/c1-31-22-14-10-20(11-15-22)28-24-6-2-4-8-26(24)29(27-9-5-3-7-25(27)28)21-12-16-23(17-13-21)32-19-18-30/h2-17H,18-19H2,1H3"	COC1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=C(C=C5)OCCBr	AVSKNWGVQREKEE-UHFFFAOYSA-N
DG55058	"3-Methoxy-1,10-dimethyl-9(10H)-acridinone"	378398	"NSC660816; 3-Methoxy-1,10-dimethyl-9(10H)-acridinone; CHEMBL1980549; NSC-660816; 3-methoxy-1,10-dimethyl-acridin-9-one; NCI60_021196"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660816	.	.	.	.	253.29	C16H15NO2	29.5	357	3.5	19	0	3	1	"InChI=1S/C16H15NO2/c1-10-8-11(19-3)9-14-15(10)16(18)12-6-4-5-7-13(12)17(14)2/h4-9H,1-3H3"	CC1=CC(=CC2=C1C(=O)C3=CC=CC=C3N2C)OC	WGQAVCZHWJUPJR-UHFFFAOYSA-N
DG55059	"Spiro[cyclopentane-1,3'-[3H]pyrano[2,3-c]acridin]-7'(12'H)-one, 6'-methoxy-12'-methyl-"	378400	"NSC660818; Spiro[cyclopentane-1,3'-[3H]pyrano[2,3-c]acridin]-7'(12'H)-one, 6'-methoxy-12'-methyl-; CHEMBL1968619; NSC-660818; NCI60_021198; 6'-methoxy-12'-methyl-spiro[cyclopentane-1,3'-pyrano[2,3-c]acridine]-7'-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660818	.	.	.	.	347.4	C22H21NO3	38.8	596	4.1	26	0	4	1	"InChI=1S/C22H21NO3/c1-23-16-8-4-3-7-14(16)21(24)19-18(25-2)13-17-15(20(19)23)9-12-22(26-17)10-5-6-11-22/h3-4,7-9,12-13H,5-6,10-11H2,1-2H3"	CN1C2=CC=CC=C2C(=O)C3=C(C=C4C(=C31)C=CC5(O4)CCCC5)OC	NRJWDDAENVKOIA-UHFFFAOYSA-N
DG55060	"5-((2-(Diethylamino)ethyl)amino)-10-methoxy-6H-imidazo[4,5,1-de]acridin-6-one"	378419	"NSC-660838; NSC660838; CHEMBL8238; 5-((2-(Diethylamino)ethyl)amino)-10-methoxy-6H-imidazo[4,5,1-de]acridin-6-one; 5-[[2-(Diethylamino)ethyl]amino]-10-methoxy-6H-imidazo[4,5,1-de]acridin-6-one; BDBM50317137; NCI60_021218; (2-diethylaminoethylamino)-methoxy-[ ]one; 5-(2-Diethylamino-ethylamino)-10-methoxy-2,10b-diaza-aceanthrylen-6-one; 5-(2-(diethylamino)ethylamino)-10-methoxy-6H-imidazo[4,5,1-de]acridin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660838	.	.	.	.	364.4	C21H24N4O2	59.4	526	3.9	27	1	5	7	"InChI=1S/C21H24N4O2/c1-4-24(5-2)12-11-22-15-9-10-16-20-18(15)21(26)14-7-6-8-17(27-3)19(14)25(20)13-23-16/h6-10,13,22H,4-5,11-12H2,1-3H3"	CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=CC=C4OC	UOASRCCYMFZXGC-UHFFFAOYSA-N
DG55061	"5-((2-(Diethylamino)ethyl)amino)-7,10-dimethoxy-6H-imidazo[4,5,1-de]acridin-6-one"	378420	"NSC-660839; NSC660839; CHEMBL8150; 5-((2-(Diethylamino)ethyl)amino)-7,10-dimethoxy-6H-imidazo[4,5,1-de]acridin-6-one; 5-[[2-(Diethylamino)ethyl]amino]-7,10-dimethoxy-6H-imidazo[4,5,1-de]acridin-6-one; ZINC5499387; BDBM50317138; NCI60_021219; (2-diethylaminoethylamino)-dimethoxy-[ ]one; 5-(2-(diethylamino)ethylamino)-7,10-dimethoxy-6H-imidazo[4,5,1-de]acridin-6-one; 5-(2-Diethylamino-ethylamino)-7,10-dimethoxy-2,10b-diaza-aceanthrylen-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660839	.	.	.	.	394.5	C22H26N4O3	68.6	572	3.9	29	1	6	8	"InChI=1S/C22H26N4O3/c1-5-25(6-2)12-11-23-14-7-8-15-20-18(14)22(27)19-16(28-3)9-10-17(29-4)21(19)26(20)13-24-15/h7-10,13,23H,5-6,11-12H2,1-4H3"	CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C=CC(=C4C2=O)OC)OC	GVUCPNKYHGBWCF-UHFFFAOYSA-N
DG55062	NSC660840	378421	"10-[2-(Diethylamino)ethylamino]-8-hydroxy-3-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,7,9,11,13(16),14-heptaen-6-one; NSC-660840; NSC660840; CHEMBL8219; 5-((2-(Diethylamino)ethyl)amino)-7-hydroxy-10-methoxy-6H-imidazo[4,5,1-de]acridin-6-one; 5-[[2-(Diethylamino)ethyl]amino]-7-hydroxy-10-methoxy-6H-imidazo[4,5,1-de]acridin-6-one; BDBM50317139; NCI60_021220; (2-diethylaminoethylamino)-hydroxy-methoxy-[ ]one; 5-(2-(diethylamino)ethylamino)-7-hydroxy-10-methoxy-6H-imidazo[4,5,1-de]acridin-6-one; 5-(2-Diethylamino-ethylamino)-7-hydroxy-10-methoxy-2,10b-diaza-aceanthrylen-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660840	.	.	.	.	380.4	C21H24N4O3	79.6	725	2.6	28	2	6	7	"InChI=1S/C21H24N4O3/c1-4-24(5-2)11-10-22-13-6-7-14-19-17(13)21(27)18-15(26)8-9-16(28-3)20(18)25(19)12-23-14/h6-9,12,22,27H,4-5,10-11H2,1-3H3"	CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C=CC(=O)C4=C2O)OC	CCUYKRLXKTWTGP-UHFFFAOYSA-N
DG55063	NSC660841	378422	"10-[2-(Diethylamino)ethylamino]-8-hydroxy-4,5-dimethoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,7,9,11,13(16),14-heptaen-6-one; NSC-660841; NSC660841; CHEMBL8602; 5-((2-(Diethylamino)ethyl)amino)-7-hydroxy-8,9-dimethoxy-6H-imidazo[4,5,1-de]acridin-6-one; 5-[[2-(Diethylamino)ethyl]amino]-7-hydroxy-8,9-dimethoxy-6H-imidazo[4,5,1-de]acridin-6-one; BDBM50317140; NCI60_021221; (2-diethylaminoethylamino)-hydroxy-dimethoxy-[ ]one; 5-(2-(diethylamino)ethylamino)-7-hydroxy-8,9-dimethoxy-6H-imidazo[4,5,1-de]acridin-6-one; 5-(2-Diethylamino-ethylamino)-7-hydroxy-8,9-dimethoxy-2,10b-diaza-aceanthrylen-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660841	.	.	.	.	410.5	C22H26N4O4	88.8	786	2.7	30	2	7	8	"InChI=1S/C22H26N4O4/c1-5-25(6-2)10-9-23-13-7-8-14-19-17(13)20(27)18-15(26(19)12-24-14)11-16(29-3)22(30-4)21(18)28/h7-8,11-12,23,27H,5-6,9-10H2,1-4H3"	CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=CC(=C(C(=O)C4=C2O)OC)OC	GRQHDQZNSRJNRZ-UHFFFAOYSA-N
DG55064	"Tert-butyl 2-[4-[methyl-(2-phenylacetyl)amino]-1,2,4-triazol-1-ium-1-yl]acetate;bromide"	378423	NSC660843; CHEMBL1964997; NSC-660843	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660843	.	.	.	.	411.3	C17H23BrN4O3	68.3	444	.	25	0	5	7	"InChI=1S/C17H23N4O3.BrH/c1-17(2,3)24-16(23)11-20-13-21(12-18-20)19(4)15(22)10-14-8-6-5-7-9-14;/h5-9,12-13H,10-11H2,1-4H3;1H/q+1;/p-1"	CC(C)(C)OC(=O)C[N+]1=CN(C=N1)N(C)C(=O)CC2=CC=CC=C2.[Br-]	LRRFBJKINIZJSP-UHFFFAOYSA-M
DG55065	2-Bromo-8-hydroxy-6-methylnaphthoquinone	378439	"2-Bromo-8-hydroxy-6-methylnaphthoquinone; 161811-59-2; UNII-WZ92SH2QJQ; NSC660977; WZ92SH2QJQ; 2-bromo-8-hydroxy-6-methyl-1,4-naphthoquinone; 2-bromo-8-hydroxy-6-methylnaphthalene-1,4-dione; NSC 660977; CHEMBL1967323; SCHEMBL17183609; DTXSID90167252; ZINC1637808; NSC-660977; NCI60_021237; 2-Bromo-6-methyl-8-hydroxy-1,4-naphthoquinone; 2-bromo-8-hydroxy-6-methyl-naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660977	.	.	.	.	267.07	C11H7BrO3	54.4	348	2.9	15	1	3	0	"InChI=1S/C11H7BrO3/c1-5-2-6-8(13)4-7(12)11(15)10(6)9(14)3-5/h2-4,14H,1H3"	CC1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)Br	JTXZJKMQLWGQLZ-UHFFFAOYSA-N
DG55066	"2-Bromo-8-methoxy-6-methyl-1,4-naphthoquinone"	378440	"2-bromo-8-methoxy-6-methyl-1,4-naphthoquinone; NSC660978; 2-Bromo-8-methoxy-6-methylnaphthoquinone; CHEMBL1981081; NSC-660978; 160465-98-5; NCI60_021238; 2-Bromo-6-methyl-8-methoxynaphthalene-1,4-dione; 2-bromo-8-methoxy-6-methyl-naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660978	.	.	.	.	281.1	C12H9BrO3	43.4	361	2.7	16	0	3	1	"InChI=1S/C12H9BrO3/c1-6-3-7-9(14)5-8(13)12(15)11(7)10(4-6)16-2/h3-5H,1-2H3"	CC1=CC2=C(C(=C1)OC)C(=O)C(=CC2=O)Br	HFDAFGDBMLSVEX-UHFFFAOYSA-N
DG55067	"2-Bromo-1,4,8-trimethoxy-6-methylnaphthalene"	378441	"NSC660979; 2-Bromo-1,4,8-trimethoxy-6-methylnaphthalene; CHEMBL1984591; NSC-660979; NCI60_021239; 2-bromo-6-methyl-1,8-trimethoxynaphthalene; 2-bromo-1,4,8-trimethoxy-6-methyl-naphthalene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660979	.	.	.	.	311.17	C14H15BrO3	27.7	274	4.1	18	0	3	3	"InChI=1S/C14H15BrO3/c1-8-5-9-11(16-2)7-10(15)14(18-4)13(9)12(6-8)17-3/h5-7H,1-4H3"	CC1=CC2=C(C(=C1)OC)C(=C(C=C2OC)Br)OC	OUAKQCJUQMXAJD-UHFFFAOYSA-N
DG55068	"N-(2-(3,5-Dimethoxyphenyl)-1-methylethyl)acetamide"	378442	"NSC660981; N-(2-(3,5-Dimethoxyphenyl)-1-methylethyl)acetamide; NSC-660981; NCI60_021241; (S)-(+)-N-1-(3,5-Dimethoxybenzyl)ethyl acetamide; N-(1-Methyl-2-(3,5-dimethoxyphenyl)ethyl)acetamide; N-[2-(3,5-dimethoxyphenyl)-1-methyl-ethyl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660981	.	.	.	.	237.29	C13H19NO3	47.6	233	1.9	17	1	3	5	"InChI=1S/C13H19NO3/c1-9(14-10(2)15)5-11-6-12(16-3)8-13(7-11)17-4/h6-9H,5H2,1-4H3,(H,14,15)"	CC(CC1=CC(=CC(=C1)OC)OC)NC(=O)C	RQZIRSLSSFYYPJ-UHFFFAOYSA-N
DG55069	"(1R,2,3,4-Tetrahydro-1,3-dimethyl-6,8-dimethoxy-N-(benzyl)isoquinoline"	378444	"NSC660983; NSC-660983; NCI60_021243; (1R,2,3,4-Tetrahydro-1,3-dimethyl-6,8-dimethoxy- N-(benzyl)isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660983	.	.	.	.	311.4	C20H25NO2	21.7	369	4.1	23	0	3	4	"InChI=1S/C20H25NO2/c1-14-10-17-11-18(22-3)12-19(23-4)20(17)15(2)21(14)13-16-8-6-5-7-9-16/h5-9,11-12,14-15H,10,13H2,1-4H3/t14 ,15-/m0/s1"	C[C@H]1C2=C(CC(N1CC3=CC=CC=C3)C)C=C(C=C2OC)OC	RGYCJCNJSUCUCI-LOACHALJSA-N
DG55070	NSC661083	378483	"2-({[4-Amino-6-(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methyl}thio)-4-chloro-5-methylbenzenesulfonamide; NSC661083; 2-({[4-Amino-6-(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methyl}thio)-4-chloro-5-methylbenzenesulfonamide; CHEMBL488205; ZINC5856266; NSC-661083; NCI60_021267; 2-[[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methylsulfanyl]-4-chloro-5-methyl-benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661083	.	.	.	.	456	C17H22ClN7O2S2	174	730	2.1	29	2	10	5	"InChI=1S/C17H22ClN7O2S2/c1-9-5-13(29(20,26)27)12(6-11(9)18)28-8-14-21-15(19)23-16(22-14)25-17(3,4)7-10(2)24-25/h5-6H,7-8H2,1-4H3,(H2,20,26,27)(H2,19,21,22,23)"	CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CSC3=C(C=C(C(=C3)Cl)C)S(=O)(=O)N	XKWNHGXXLXLVFF-UHFFFAOYSA-N
DG55071	NSC661091	378491	"{[2-({[4-Amino-6-(5-methyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]amino}sulfonyl)-5-chloro-4-methylphenyl]thio}acetic acid; NSC661091; {[2-({[4-Amino-6-(5-methyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]amino}sulfonyl)-5-chloro-4-methylphenyl]thio}acetic acid; CHEMBL1986163; NSC-661091; NCI60_021275; 2-[2-[[4-amino-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-yl]sulfamoyl]-5-chloro-4-methyl-phenyl]sulfanylacetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661091	.	.	.	.	471.9	C16H18ClN7O4S2	197	752	1.9	30	3	12	7	"InChI=1S/C16H18ClN7O4S2/c1-8-5-12(11(6-10(8)17)29-7-13(25)26)30(27,28)23-15-20-14(18)21-16(22-15)24-9(2)3-4-19-24/h4-6,9H,3,7H2,1-2H3,(H,25,26)(H3,18,20,21,22,23)"	CC1CC=NN1C2=NC(=NC(=N2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)SCC(=O)O)N	BSQXMHXNJIAHEO-UHFFFAOYSA-N
DG55072	"6-Chloro-7-methyl-3-(2-methylhydrazino)-1,4,2-benzodithiazine 1,1-dioxide"	378494	"NSC661094; 6-Chloro-7-methyl-3-(2-methylhydrazino)-1,4,2-benzodithiazine 1,1-dioxide; CHEMBL1981580; ZINC1638035; NSC-661094; NCI60_021278; 1-(6-chloro-7-methyl-1,1-dioxo-1$l^{6},4,2-benzodithiazin-3-yl)-2-methyl-hydrazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661094	.	.	.	.	291.8	C9H10ClN3O2S2	104	420	2.1	17	2	5	2	"InChI=1S/C9H10ClN3O2S2/c1-5-3-8-7(4-6(5)10)16-9(12-11-2)13-17(8,14)15/h3-4,11H,1-2H3,(H,12,13)"	CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC	PGVNWVQAFNZAMJ-UHFFFAOYSA-N
DG55073	"Methyl 6-chloro-3-(2-methylhydrazino)-1,4,2-benzodithiazine-7-carboxylate 1,1-dioxide"	378495	"NSC661095; Methyl 6-chloro-3-(2-methylhydrazino)-1,4,2-benzodithiazine-7-carboxylate 1,1-dioxide; CHEMBL2003643; ZINC1638036; NSC-661095; NCI60_021279; methyl 6-chloro-3-(2-methylhydrazino)-1,1-dioxo-1$l^{6},4,2-benzodithiazine-7-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661095	.	.	.	.	335.8	C10H10ClN3O4S2	131	519	1.6	20	2	7	4	"InChI=1S/C10H10ClN3O4S2/c1-12-13-10-14-20(16,17)8-3-5(9(15)18-2)6(11)4-7(8)19-10/h3-4,12H,1-2H3,(H,13,14)"	CNNC1=NS(=O)(=O)C2=C(S1)C=C(C(=C2)C(=O)OC)Cl	LOFUNGISFCXQDP-UHFFFAOYSA-N
DG55074	"6-Chloro-3-(2-methylhydrazino)-1,4,2-benzodithiazine-7-carbonitrile 1,1-dioxide"	378496	"NSC661096; 6-Chloro-3-(2-methylhydrazino)-1,4,2-benzodithiazine-7-carbonitrile 1,1-dioxide; CHEMBL1973238; ZINC1638037; NSC-661096; NCI60_021280; 6-chloro-3-(2-methylhydrazino)-1,1-dioxo-1$l^{6},4,2-benzodithiazine-7-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661096	.	.	.	.	302.8	C9H7ClN4O2S2	128	506	1.4	18	2	6	2	"InChI=1S/C9H7ClN4O2S2/c1-12-13-9-14-18(15,16)8-2-5(4-11)6(10)3-7(8)17-9/h2-3,12H,1H3,(H,13,14)"	CNNC1=NS(=O)(=O)C2=C(S1)C=C(C(=C2)C#N)Cl	UFUUSIZLRXMOHN-UHFFFAOYSA-N
DG55075	"6-Chloro-3-(2-(4,5-dihydro-1H-imidazol-2-yl)hydrazino)-7-methyl-1,4,2-benzodithiazine 1,1-dioxide"	378498	"NSC661098; 6-Chloro-3-(2-(4,5-dihydro-1H-imidazol-2-yl)hydrazino)-7-methyl-1,4,2-benzodithiazine 1,1-dioxide; CHEMBL1998799; ZINC1638038; NSC-661098; NCI60_021282; 1-(6-chloro-7-methyl-1,1-dioxo-1$l^{6},4,2-benzodithiazin-3-yl)-2-(4,5-dihydro-1H-imidazol-2-yl)hydrazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661098	.	.	.	.	345.8	C11H12ClN5O2S2	129	574	1.3	21	3	5	3	"InChI=1S/C11H12ClN5O2S2/c1-6-4-9-8(5-7(6)12)20-11(17-21(9,18)19)16-15-10-13-2-3-14-10/h4-5H,2-3H2,1H3,(H,16,17)(H2,13,14,15)"	CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC3=NCCN3	RYVONGQQONGTLC-UHFFFAOYSA-N
DG55076	"4-(3-Thienyl)-6-[3-(methylamino)propyl]-1,2,3,6-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione"	378525	"NSC661153; SCHEMBL8556089; CHEMBL1992322; NSC-661153; NCI60_021300; Pyrrolo[3,3(2H,6H)-dione, 6-[3-(methylamino)propyl]-4-(3-thienyl)-; 4-(3-Thienyl)-6-[3-(methylamino)propyl]-1,2,3,6-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661153	.	.	.	.	389.5	C22H19N3O2S	91.4	629	3.3	28	2	4	5	"InChI=1S/C22H19N3O2S/c1-23-8-4-9-25-16-6-3-2-5-14(16)18-17(25)11-15(13-7-10-28-12-13)19-20(18)22(27)24-21(19)26/h2-3,5-7,10-12,23H,4,8-9H2,1H3,(H,24,26,27)"	CNCCCN1C2=CC=CC=C2C3=C1C=C(C4=C3C(=O)NC4=O)C5=CSC=C5	WTOWBVAIDHKDOZ-UHFFFAOYSA-N
DG55077	"6-(4-Methoxyphenyl)-2-(trifluoromethyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl dimethylcarbamate"	378550	"NSC661185; CHEMBL33641; 6-(4-Methoxyphenyl)-2-(trifluoromethyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl dimethylcarbamate; BDBM50041494; NSC-661185; [6-(4-methoxyphenyl)-2-(trifluoromethyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] N,N-dimethylcarbamate; NCI60_021321; 2-(Trifluoromethyl)-6-(4-methoxyphenyl)-7-(dimethylaminocarbonyl)oxypyrrolo[2,1-d][1,5]benzothiazepine; Dimethyl-carbamic acid 5-(4-methoxy-phenyl)-9-trifluoromethyl-6-thia-10b-aza-benzo[e]azulen-4-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661185	.	.	.	.	460.5	C23H19F3N2O3S	69	722	5	32	0	7	4	"InChI=1S/C23H19F3N2O3S/c1-27(2)22(29)31-20-17-5-4-12-28(17)18-13-15(23(24,25)26)8-11-19(18)32-21(20)14-6-9-16(30-3)10-7-14/h4-13H,1-3H3"	CN(C)C(=O)OC1=C(SC2=C(C=C(C=C2)C(F)(F)F)N3C1=CC=C3)C4=CC=C(C=C4)OC	OMUFJNPHOJTECE-UHFFFAOYSA-N
DG55078	"Ethyl 6-(bromomethyl)-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate"	378562	"NSC661201; Ethyl 6-(bromomethyl)-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate; CHEMBL1979230; ZINC5835526; NSC-661201; NCI60_021330; 2-Phenyl-6-(bromomethyl)thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid ethyl ester; ethyl 6-(bromomethyl)-2-phenyl-thiazolo[3,2-b][1,2,4]triazole-5-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661201	.	.	.	.	366.23	C14H12BrN3O2S	84.7	381	3.7	21	0	5	5	"InChI=1S/C14H12BrN3O2S/c1-2-20-13(19)11-10(8-15)18-14(21-11)16-12(17-18)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3"	CCOC(=O)C1=C(N2C(=NC(=N2)C3=CC=CC=C3)S1)CBr	WJECFPAULLARKL-UHFFFAOYSA-N
DG55079	"3-((1,1-Dimethyl-2-propynyl)oxy)-1-methoxy-10-methyl-9(10H)-acridinone"	378565	"NSC661204; 3-((1,1-Dimethyl-2-propynyl)oxy)-1-methoxy-10-methyl-9(10H)-acridinone; CHEMBL2005257; NSC-661204; NCI60_021333; 3-(1,1-dimethylprop-2-ynoxy)-1-methoxy-10-methyl-acridin-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661204	.	.	.	.	321.4	C20H19NO3	38.8	534	3.8	24	0	4	4	"InChI=1S/C20H19NO3/c1-6-20(2,3)24-13-11-16-18(17(12-13)23-5)19(22)14-9-7-8-10-15(14)21(16)4/h1,7-12H,2-5H3"	CC(C)(C#C)OC1=CC2=C(C(=C1)OC)C(=O)C3=CC=CC=C3N2C	YROHGMCYIGGUGE-UHFFFAOYSA-N
DG55080	"4-Hydroxy-2-isopropenyl-10-methyl-3,10-dihydrofuro[3,2-b]acridin-5(2H)-one"	378566	"NSC661205; 4-Hydroxy-2-isopropenyl-10-methyl-3,10-dihydrofuro[3,2-b]acridin-5(2H)-one; CHEMBL1995687; NSC-661205; NCI60_021334; 4-hydroxy-2-isopropenyl-10-methyl-2,3-dihydrofuro[3,2-b]acridin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661205	.	.	.	.	307.3	C19H17NO3	49.8	519	4.6	23	1	4	1	"InChI=1S/C19H17NO3/c1-10(2)15-8-12-16(23-15)9-14-17(19(12)22)18(21)11-6-4-5-7-13(11)20(14)3/h4-7,9,15,22H,1,8H2,2-3H3"	CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C4=CC=CC=C4N3C	DWXCDJBFCSGKML-UHFFFAOYSA-N
DG55081	"1H-Benzo(a)carbazole-1,4-dione, 8,11-dimethyl-"	378581	"NSC661221; MLS000766267; 1H-Benzo(a)carbazole-1,4-dione, 8,11-dimethyl-; 8,11-dimethylbenzo[a]carbazole-1,4-dione; SMR000528864; cid_378581; CHEMBL1558216; SCHEMBL21945226; BDBM43500; HMS2873J08; ZINC1638088; NSC-661221; NCI60_021349; 1H-Benzo(a)carbazole-1, 8,11-dimethyl-; 8,11-dimethylbenzo[a]carbazole-1,4-quinone; 8,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661221	.	.	.	.	275.3	C18H13NO2	39.1	511	3.2	21	0	2	0	"InChI=1S/C18H13NO2/c1-10-3-6-14-13(9-10)11-4-5-12-15(20)7-8-16(21)17(12)18(11)19(14)2/h3-9H,1-2H3"	CC1=CC2=C(C=C1)N(C3=C2C=CC4=C3C(=O)C=CC4=O)C	XDWNNOGYJWNAAV-UHFFFAOYSA-N
DG55082	"11-Propyl-1H-benzo[a]carbazole-1,4(11H)-dione"	378582	"NSC661222; 11-Propyl-1H-benzo[a]carbazole-1,4(11H)-dione; 11-propylbenzo[a]carbazole-1,4-dione; CHEMBL2003618; NSC-661222; NCI60_021350"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661222	.	.	.	.	289.3	C19H15NO2	39.1	512	3.7	22	0	2	2	"InChI=1S/C19H15NO2/c1-2-11-20-15-6-4-3-5-12(15)13-7-8-14-16(21)9-10-17(22)18(14)19(13)20/h3-10H,2,11H2,1H3"	CCCN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C=CC4=O	UJDZXYIUJYYTJX-UHFFFAOYSA-N
DG55083	"11-(3-Nitrophenyl)benzo[a]carbazole-1,4-dione"	378583	"NSC661223; 11-(3-nitrophenyl)benzo[a]carbazole-1,4-dione; CHEMBL1976742; NSC-661223; NCI60_021351; 1H-Benzo[a]carbazole-1, 4,11-dihydro- 11-(3-nitrophenyl)-; 11-(3-(Hydroxy(oxido)amino)phenyl)-1H-benzo[a]carbazole-1,4(11H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661223	.	.	.	.	368.3	C22H12N2O4	84.9	714	4.4	28	0	4	1	InChI=1S/C22H12N2O4/c25-19-10-11-20(26)21-17(19)9-8-16-15-6-1-2-7-18(15)23(22(16)21)13-4-3-5-14(12-13)24(27)28/h1-12H	C1=CC=C2C(=C1)C3=C(N2C4=CC(=CC=C4)[N+](=O)[O-])C5=C(C=C3)C(=O)C=CC5=O	YVNATEYMHZWDEJ-UHFFFAOYSA-N
DG55084	"9,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione"	378584	"NSC661224; 9,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione; 9,11-dimethylbenzo[a]carbazole-1,4-dione; CHEMBL1995772; NSC-661224; NCI60_021352"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661224	.	.	.	.	275.3	C18H13NO2	39.1	511	3.2	21	0	2	0	"InChI=1S/C18H13NO2/c1-10-3-4-11-12-5-6-13-15(20)7-8-16(21)17(13)18(12)19(2)14(11)9-10/h3-9H,1-2H3"	CC1=CC2=C(C=C1)C3=C(N2C)C4=C(C=C3)C(=O)C=CC4=O	WCZVUFVLJZAYKC-UHFFFAOYSA-N
DG55085	"11-Methyl-6-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione"	378585	"NSC661225; 11-Methyl-6-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione; CHEMBL1965991; NSC-661225; NCI60_021353; 11-methyl-6-phenyl-benzo[a]carbazole-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661225	.	.	.	.	337.4	C23H15NO2	39.1	620	4.5	26	0	2	1	"InChI=1S/C23H15NO2/c1-24-18-10-6-5-9-15(18)21-16(14-7-3-2-4-8-14)13-17-19(25)11-12-20(26)22(17)23(21)24/h2-13H,1H3"	CN1C2=CC=CC=C2C3=C1C4=C(C=C3C5=CC=CC=C5)C(=O)C=CC4=O	COGCSINBDKTCRW-UHFFFAOYSA-N
DG55086	"Dimethyl 11-methyl-1,4-dioxo-4,11-dihydro-1H-benzo[a]carbazole-5,6-dicarboxylate"	378586	"NSC661226; Dimethyl 11-methyl-1,4-dioxo-4,11-dihydro-1H-benzo[a]carbazole-5,6-dicarboxylate; CHEMBL2005665; NSC-661226; NCI60_021354; dimethyl 11-methyl-1,4-dioxo-benzo[a]carbazole-5,6-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661226	.	.	.	.	377.3	C21H15NO6	91.7	745	2.6	28	0	6	4	"InChI=1S/C21H15NO6/c1-22-11-7-5-4-6-10(11)14-17(20(25)27-2)18(21(26)28-3)15-12(23)8-9-13(24)16(15)19(14)22/h4-9H,1-3H3"	CN1C2=CC=CC=C2C3=C(C(=C4C(=O)C=CC(=O)C4=C31)C(=O)OC)C(=O)OC	XNNCTFKEVJTDGD-UHFFFAOYSA-N
DG55087	"8-(3-Methoxyphenyl)-6,6a,6b,9a,10,14c-hexahydronaphtho[2,1-c]pyrrolo[3,4-a]carbazole-7,9(5H,8H)-dione"	378589	"NSC661229; 8-(3-Methoxyphenyl)-6,6a,6b,9a,10,14c-hexahydronaphtho[2,1-c]pyrrolo[3,4-a]carbazole-7,9(5H,8H)-dione; CHEMBL1997780; NSC-661229; NCI60_021357"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661229	.	.	.	.	448.5	C29H24N2O3	62.4	830	4.9	34	1	3	2	"InChI=1S/C29H24N2O3/c1-34-18-9-6-8-17(15-18)31-28(32)25-21-14-13-16-7-2-3-10-19(16)23(21)24-20-11-4-5-12-22(20)30-27(24)26(25)29(31)33/h2-12,15,21,23,25-26,30H,13-14H2,1H3"	COC1=CC=CC(=C1)N2C(=O)C3C4CCC5=CC=CC=C5C4C6=C(C3C2=O)NC7=CC=CC=C76	LTIMEHVTSLNMHY-UHFFFAOYSA-N
DG55088	homofascaplysin B	378602	"NSC661242; homofascaplysin B; Oxo-(12H-pyrido[1,2-a; CHEMBL1978013; methyl 2-oxo-2-[ ]yl-acetate; NSC-661242; NCI60_021370"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661242	.	.	.	.	342.3	C21H14N2O3	63.6	594	5	26	1	3	3	"InChI=1S/C21H14N2O3/c1-26-21(25)20(24)17-14-7-3-5-9-16(14)23-11-10-13-12-6-2-4-8-15(12)22-18(13)19(17)23/h2-11,22H,1H3"	COC(=O)C(=O)C1=C2C3=C(C=CN2C4=CC=CC=C41)C5=CC=CC=C5N3	JSCOOTAVKPBHTB-UHFFFAOYSA-N
DG55089	Homofascaplysin C	378603	"NSC661243; [ ]carbaldehyde; Homofascaplysin C; 132911-52-5; CHEMBL1979468; SCHEMBL14519060; DTXSID80327500; 3,4-b']diindole-13-carbaldehyde; NSC-661243; NCI60_021371"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661243	.	.	.	.	284.3	C19H12N2O	37.3	453	4.8	22	1	1	1	"InChI=1S/C19H12N2O/c22-11-15-13-6-2-4-8-17(13)21-10-9-14-12-5-1-3-7-16(12)20-18(14)19(15)21/h1-11,20H"	C1=CC=C2C(=C1)C3=C(N2)C4=C(C5=CC=CC=C5N4C=C3)C=O	NSKFTNZGUJVDEK-UHFFFAOYSA-N
DG55090	Arborescidine D	378619	Arborescidine D; NSC661412; CHEMBL1991448; NSC-661412; NCI60_021381	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661412	.	.	.	.	335.24	C16H19BrN2O	28.4	380	2.9	20	1	2	0	"InChI=1S/C16H19BrN2O/c1-18-8-7-12-11-6-5-10(17)9-14(11)19-15(20)4-2-3-13(18)16(12)19/h5-6,9,13,15,20H,2-4,7-8H2,1H3/t13 ,15-/m1/s1"	CN1CCC2=C3C1CCC[C@H](N3C4=C2C=CC(=C4)Br)O	SEKCREXSGCGPFK-AWKYBWMHSA-N
DG55091	2-(2-Methoxyethoxy)naphthazarin	378620	NSC661413; CHEMBL1967374; 2-(2-Methoxyethoxy)naphthazarin; NSC-661413; NCI60_021382	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661413	.	.	.	.	264.23	C13H12O6	93.1	402	1.9	19	2	6	4	"InChI=1S/C13H12O6/c1-18-4-5-19-10-6-9(16)11-7(14)2-3-8(15)12(11)13(10)17/h2-3,6,14-15H,4-5H2,1H3"	COCCOC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O	OINAZLMVBPGQJC-UHFFFAOYSA-N
DG55092	2-(2-(2-Methoxyethoxy)ethoxy)naphthazarin	378623	NSC661416; CHEMBL1987646; NSC-661416; NCI60_021385; 2-(2-(2-Methoxyethoxy)ethoxy)naphthazarin	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661416	.	.	.	.	308.28	C15H16O7	102	445	1.7	22	2	7	7	"InChI=1S/C15H16O7/c1-20-4-5-21-6-7-22-12-8-11(18)13-9(16)2-3-10(17)14(13)15(12)19/h2-3,8,16-17H,4-7H2,1H3"	COCCOCCOC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O	PFFIYSKGKWGZIM-UHFFFAOYSA-N
DG55093	2-(2-Butoxyethoxy)naphthazarin	378624	NSC661417; 2-(2-Butoxyethoxy)naphthazarin; CHEMBL1988725; NSC-661417; NCI60_021386	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661417	.	.	.	.	306.31	C16H18O6	93.1	444	3.1	22	2	6	7	"InChI=1S/C16H18O6/c1-2-3-6-21-7-8-22-13-9-12(19)14-10(17)4-5-11(18)15(14)16(13)20/h4-5,9,17-18H,2-3,6-8H2,1H3"	CCCCOCCOC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O	GSNJNWOTIIWHAL-UHFFFAOYSA-N
DG55094	2-(2-(2-Butoxyethoxy)ethoxy)naphthazarin	378625	NSC661418; 2-(2-(2-Butoxyethoxy)ethoxy)naphthazarin; CHEMBL2001529; NSC-661418; NCI60_021387	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661418	.	.	.	.	350.4	C18H22O7	102	488	3	25	2	7	10	"InChI=1S/C18H22O7/c1-2-3-6-23-7-8-24-9-10-25-15-11-14(21)16-12(19)4-5-13(20)17(16)18(15)22/h4-5,11,19-20H,2-3,6-10H2,1H3"	CCCCOCCOCCOC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O	AHWDBDDIHKRXEO-UHFFFAOYSA-N
DG55095	2-(1-(4-Methyl)piperazino)naphthazarin	378626	NSC661419; NSC-661419; 2-(1-(4-Methyl)piperazino)naphthazarin; NCI60_021388	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661419	.	.	.	.	288.3	C15H16N2O4	81.1	482	2	21	2	6	1	"InChI=1S/C15H16N2O4/c1-16-4-6-17(7-5-16)9-8-12(20)13-10(18)2-3-11(19)14(13)15(9)21/h2-3,8,18-19H,4-7H2,1H3"	CN1CCN(CC1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O	RXECSWVTQJGVHH-UHFFFAOYSA-N
DG55096	2-Chloro-3-(1-(4-methyl)piperazino)naphthazarin	378627	NSC661420; 2-Chloro-3-(1-(4-methyl)piperazino)naphthazarin; CHEMBL2007187; NSC-661420	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661420	.	.	.	.	359.2	C15H16Cl2N2O4	81.1	504	.	23	3	6	1	"InChI=1S/C15H15ClN2O4.ClH/c1-17-4-6-18(7-5-17)13-12(16)14(21)10-8(19)2-3-9(20)11(10)15(13)22;/h2-3,21-22H,4-7H2,1H3;1H"	CN1CCN(CC1)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O.Cl	QMGQSPDLYIXNEH-UHFFFAOYSA-N
DG55097	"6-Chloro-5,8-dihydroxy-7-morpholin-4-ylnaphthalene-1,4-dione"	378629	"CHEMBL1987065; NSC661421; GTPL10345; 6-chloro-5,8-dihydroxy-7-morpholin-4-ylnaphthalene-1,4-dione; BDBM50505247; NSC-661421; compound 3a [Badolato et al., 2019]; NCI60_021390"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661421	.	.	.	.	309.7	C14H12ClNO5	87.1	476	2.2	21	2	6	1	"InChI=1S/C14H12ClNO5/c15-11-12(16-3-5-21-6-4-16)14(20)10-8(18)2-1-7(17)9(10)13(11)19/h1-2,19-20H,3-6H2"	C1COCCN1C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O	CXJKJCXMTXTQKK-UHFFFAOYSA-N
DG55098	"5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-6-((dimethylamino)methyl)-, hydrochloride"	378641	"81471-55-8; NSC661440; 5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-6-((dimethylamino)methyl)-, hydrochloride; 6-((Dimethylamino)methyl)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one hydrochloride; SCHEMBL2126669; CHEMBL1994491; DTXSID701001999; NSC-661440; 5H-Benzocyclohepten-5-one,7,8,9-tetrahydro-6-[(dimethylamino)methyl]-, hydrochloride; 6-[(Dimethylamino)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661440	.	.	.	.	253.77	C14H20ClNO	20.3	249	.	17	1	2	2	"InChI=1S/C14H19NO.ClH/c1-15(2)10-12-8-5-7-11-6-3-4-9-13(11)14(12)16;/h3-4,6,9,12H,5,7-8,10H2,1-2H3;1H"	CN(C)CC1CCCC2=CC=CC=C2C1=O.Cl	ZFOGITLYBBBXIO-UHFFFAOYSA-N
DG55099	"N,7,8,9-tetrahydro-5H-benzocyclohepten-5-on-6-yl)-methyl]methaniminium Iodide"	378643	"MLS002701608; NSC661441; CHEMBL1893548; NSC-661441; SMR001565209; N,7,8,9-tetrahydro-5H-benzocyclohepten-5-on-6-yl)-methyl]methaniminium Iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661441	.	.	.	.	359.25	C15H22INO	17.1	279	.	18	0	2	2	"InChI=1S/C15H22NO.HI/c1-16(2,3)11-13-9-6-8-12-7-4-5-10-14(12)15(13)17;/h4-5,7,10,13H,6,8-9,11H2,1-3H3;1H/q+1;/p-1"	C[N+](C)(C)CC1CCCC2=CC=CC=C2C1=O.[I-]	STQMFRHEZXRVHP-UHFFFAOYSA-M
DG55100	"4-(Bromomethyl)-2,2,5,5-tetramethyl-1-imidazolidinol 3-oxide"	378673	"NSC661470; CHEMBL2003369; ZINC1638178; TRIPHENYLPHOSPHINEHYDROCHLORIDE; ZINC100074215; NSC-661470; NCI60_021422; 4-(Bromomethyl)-2,2,5,5-tetramethyl-1-imidazolidinol 3-oxide; 5-(bromomethyl)-3-hydroxy-2,2,4,4-tetramethyl-1-oxido-imidazol-1-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661470	.	.	.	.	251.12	C8H15BrN2O2	52.2	261	0.8	13	1	3	1	"InChI=1S/C8H15BrN2O2/c1-7(2)6(5-9)10(12)8(3,4)11(7)13/h13H,5H2,1-4H3"	CC1(C(=[N+](C(N1O)(C)C)[O-])CBr)C	DXZAIXOZCUYCQT-UHFFFAOYSA-N
DG55101	Encyclan	378680	"Encyclan; NSC661582; Furo[2, 3a,4,9,9a-tetrahydro-2,9-dimethyl-,1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester; NSC695643; 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 2,9-dimethyl-3a,4,9,9a-tetrahydrofuro[2,3-b]quinoxaline-3-carboxylate; CHEMBL2006290; DTXSID00929444; NSC-661582; NSC-695643; NCI60_034218; Furo[2, 3a,4,9,9a-tetrahydro-2,9-dimethyl-, isobornyl ester,(R-exo); Furo[2, 3a,4,9,9a-tetrahydro-2,9-dimethyl-, isobornyl ester,(R-exo)-; (1,7,7-trimethylnorbornan-2-yl) 2,9-dimethyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate; 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 2,9-dimethyl-3a,4,9,9a-tetrahydrofuro[2,3-b]quinoxaline-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695643	.	.	.	.	382.5	C23H30N2O3	50.8	717	5	28	1	5	3	"InChI=1S/C23H30N2O3/c1-13-18(19-20(27-13)25(5)16-9-7-6-8-15(16)24-19)21(26)28-17-12-14-10-11-23(17,4)22(14,2)3/h6-9,14,17,19-20,24H,10-12H2,1-5H3"	CC1=C(C2C(O1)N(C3=CC=CC=C3N2)C)C(=O)OC4CC5CCC4(C5(C)C)C	DZCIUYJBFWBQJD-UHFFFAOYSA-N
DG55102	"Ursa-11,13(18)-dien-28-oic acid-3beta-ol"	378695	"NSC661747; Ursa-11,13(18)-dien-28-oic acid-3.beta.-ol; NSC-661747; NCI60_021434"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661747	.	.	.	.	454.7	C30H46O3	57.5	929	6.9	33	2	3	1	"InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8-9,18-19,21-23,31H,10-17H2,1-7H3,(H,32,33)/t18 ,19-,21 ,22 ,23-,27-,28 ,29+,30-/m0/s1"	C[C@H]1C(CC[C@]2(C1=C3C=CC4[C@]5(CC[C@@H](C(C5CC[C@]4(C3(CC2)C)C)(C)C)O)C)C(=O)O)C	PXDYNDUVPVYMRV-SOPLDUJUSA-N
DG55103	"2,5-dibenzyl-2-undecyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-ium;bromide"	378731	NSC661832; CHEMBL1997752; NSC-661832	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661832	.	.	.	.	541.6	C32H49BrN2	3.2	535	.	35	0	2	14	"InChI=1S/C32H49N2.BrH/c1-2-3-4-5-6-7-8-9-16-23-34(26-30-19-14-11-15-20-30)27-31-21-22-33(25-32(31)28-34)24-29-17-12-10-13-18-29;/h10-15,17-20,31-32H,2-9,16,21-28H2,1H3;1H/q+1;/p-1"	CCCCCCCCCCC[N+]1(CC2CCN(CC2C1)CC3=CC=CC=C3)CC4=CC=CC=C4.[Br-]	HNMSEUUEKHOHFZ-UHFFFAOYSA-M
DG55104	"4-(1-Adamantyl)-3-phenyl-5-(4-cyanophenyl)-4,5-dihydro-1,2,4-oxadiazole"	378752	"NSC661908; 4-(1-Adamantyl)-3-phenyl-5-(4-cyanophenyl)-4,5-dihydro-1,2,4-oxadiazole; CHEMBL2007215; 4-[4-(1-adamantyl)-3-phenyl-5H-1,2,4-oxadiazol-5-yl]benzonitrile; NSC-661908; NCI60_021488; 4-[[4,5-Dihydro-4-(1-adamantyl)-3-phenyl-1,2,4-oxadiazol]-5-yl]benzonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661908	.	.	.	.	383.5	C25H25N3O	48.6	666	5.6	29	0	3	3	"InChI=1S/C25H25N3O/c26-16-17-6-8-22(9-7-17)24-28(23(27-29-24)21-4-2-1-3-5-21)25-13-18-10-19(14-25)12-20(11-18)15-25/h1-9,18-20,24H,10-15H2"	C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC=C(C=C6)C#N	RRYWMCNGHAUCNY-UHFFFAOYSA-N
DG55105	N-(2-Chloro-5-nitrobenzylidene)adamantan-1-amine	378760	"NSC661916; CHEMBL1988110; ZINC5940282; ZINC104306078; NSC-661916; Tricyclo[3.3.1.13,7]decan-1-amine, N-[(1Z)-(2-chloro-5-nitrophenyl)methylene]-; NCI60_021496; N-(2-Chloro-5-nitrobenzylidene)adamantan-1-amine; N-(1-adamantyl)-1-(2-chloro-5-nitro-phenyl)methanimine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661916	.	.	.	.	318.8	C17H19ClN2O2	58.2	446	4.6	22	0	3	2	"InChI=1S/C17H19ClN2O2/c18-16-2-1-15(20(21)22)6-14(16)10-19-17-7-11-3-12(8-17)5-13(4-11)9-17/h1-2,6,10-13H,3-5,7-9H2"	C1C2CC3CC1CC(C2)(C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])Cl	VYVZNHKDOVCPCD-UHFFFAOYSA-N
DG55106	"6-Chloro-5,8-dihydroxy-7-(2-hydroxyethylamino)naphthalene-1,4-dione"	378768	NSC661938; CHEMBL1996428; NSC-661938; NCI60_021504	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661938	.	.	.	.	283.66	C12H10ClNO5	107	413	1.8	19	4	6	3	"InChI=1S/C12H10ClNO5/c13-9-10(14-3-4-15)12(19)8-6(17)2-1-5(16)7(8)11(9)18/h1-2,14-15,18-19H,3-4H2"	C1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)Cl)NCCO)O	OXGFZVBBQWCSJL-UHFFFAOYSA-N
DG55107	"2-[2-[4-(3-Chloro-1,4-dihydroxy-5,8-dioxonaphthalen-2-yl)piperazin-1-yl]ethoxy]ethyl acetate"	378769	NSC661939; CHEMBL1999345; NSC-661939; NCI60_021505	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661939	.	.	.	.	438.9	C20H23ClN2O7	117	680	2.1	30	2	9	8	"InChI=1S/C20H23ClN2O7/c1-12(24)30-11-10-29-9-8-22-4-6-23(7-5-22)18-17(21)19(27)15-13(25)2-3-14(26)16(15)20(18)28/h2-3,27-28H,4-11H2,1H3"	CC(=O)OCCOCCN1CCN(CC1)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O	YJDSHGQPJNTCFG-UHFFFAOYSA-N
DG55108	2-(2-Chloroethoxy)naphthazarin	378770	NSC661940; 2-(2-chloroethoxy)naphthazarin; CHEMBL1975441; NSC-661940; NCI60_021506	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661940	.	.	.	.	268.65	C12H9ClO5	83.8	392	2.6	18	2	5	3	"InChI=1S/C12H9ClO5/c13-3-4-18-9-5-8(16)10-6(14)1-2-7(15)11(10)12(9)17/h1-2,5,14-15H,3-4H2"	C1=CC(=C2C(=C1O)C(=O)C=C(C2=O)OCCCl)O	PBJMPXQYIFEZNK-UHFFFAOYSA-N
DG55109	2-(3-Chloropropyloxy)naphthazarin	378771	NSC661941; CHEMBL1987919; 2-(3-chloropropyloxy)naphthazarin; NSC-661941; NCI60_021507	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661941	.	.	.	.	282.67	C13H11ClO5	83.8	406	3	19	2	5	4	"InChI=1S/C13H11ClO5/c14-4-1-5-19-10-6-9(17)11-7(15)2-3-8(16)12(11)13(10)18/h2-3,6,15-16H,1,4-5H2"	C1=CC(=C2C(=C1O)C(=O)C=C(C2=O)OCCCCl)O	ZLWSJWDUCGYJOA-UHFFFAOYSA-N
DG55110	6-Chloro-7-[bis-(2-chloroethoxy)amino]naphthazarin	378772	NSC661942; 6-Chloro-7-[bis-(2-chloroethoxy)amino]naphthazarin; CHEMBL2003558; NSC-661942; NCI60_021508	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661942	.	.	.	.	364.6	C14H12Cl3NO4	77.8	467	3.8	22	2	5	5	"InChI=1S/C14H12Cl3NO4/c15-3-5-18(6-4-16)12-11(17)13(21)9-7(19)1-2-8(20)10(9)14(12)22/h1-2,21-22H,3-6H2"	C1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)Cl)N(CCCl)CCCl)O	VKJVVZBPJMASCF-UHFFFAOYSA-N
DG55111	2-Chloro-3-(N-(L-isoleucino))naphthazarin methyl ester	378773	NSC661943; 2-Chloro-3-(N-(L-isoleucino))naphthazarin methyl ester; CHEMBL2006442; NSC-661943; NCI60_021509	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661943	.	.	.	.	367.8	C17H18ClNO6	113	580	4.1	25	3	7	6	"InChI=1S/C17H18ClNO6/c1-4-7(2)13(17(24)25-3)19-14-12(18)15(22)10-8(20)5-6-9(21)11(10)16(14)23/h5-7,13,19,22-23H,4H2,1-3H3/t7 ,13-/m1/s1"	CCC(C)[C@H](C(=O)OC)NC1=C(C2=C(C(=O)C=CC2=O)C(=C1Cl)O)O	IGLQZBOWBWKHHF-URRWNQLISA-N
DG55112	"1,3-Bis(4-quinolyl)-2-(2,5-dimethoxyphenyl)propane"	378782	"NSC661957; 1,3-Bis(4-quinolyl)-2-(2,5-dimethoxyphenyl)propane; 1,5-dimethoxyphenyl)propane; CHEMBL1877832; ZINC13002291; NSC-661957; NCGC00184458-01; NCGC00184458-02; NCI60_021510; 4-(2-(2,5-Dimethoxyphenyl)-3-(4-quinolinyl)propyl)quinoline; 4-[2-(2,5-dimethoxyphenyl)-3-(4-quinolyl)propyl]quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661957	.	.	.	.	434.5	C29H26N2O2	44.2	564	6.4	33	0	4	7	"InChI=1S/C29H26N2O2/c1-32-23-11-12-29(33-2)26(19-23)22(17-20-13-15-30-27-9-5-3-7-24(20)27)18-21-14-16-31-28-10-6-4-8-25(21)28/h3-16,19,22H,17-18H2,1-2H3"	COC1=CC(=C(C=C1)OC)C(CC2=CC=NC3=CC=CC=C23)CC4=CC=NC5=CC=CC=C45	VWXFLVJKLMLMEG-UHFFFAOYSA-N
DG55113	"1,2,3,4,5,5a,6,7,8,9-Decahydro-12H-acridino[10',4a':1,2]imidazo[4,5-b]phenazine"	378784	"NSC661960; CHEMBL1992305; NSC-661960; 1,2,3,4,5,5a,6,7,8,9-Decahydro-12H-acridino[10',4a':1,2]imidazo[4,5-b]phenazine; NCI60_021513"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661960	.	.	.	.	382.5	C25H26N4	41	703	5	29	1	4	0	"InChI=1S/C25H26N4/c1-4-11-23-16(7-1)13-17-8-5-6-12-25(17)28-22-14-20-21(15-24(22)29(23)25)27-19-10-3-2-9-18(19)26-20/h2-3,9-10,14-15,17,28H,1,4-8,11-13H2"	C1CCC23C(C1)CC4=C(N2C5=CC6=NC7=CC=CC=C7N=C6C=C5N3)CCCC4	BSJLSFWYKYFOKC-UHFFFAOYSA-N
DG55114	NSC661969	378793	"methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-(9H-fluoren-9-ylmethoxycarbonylsulfanylmethyl)-2-[(2-methoxy-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-5-oxo-pentanoate; NSC661969; CHEMBL1981264; NSC-661969; NCI60_021522; Dimethyl 1-(9H-fluoren-9-yl)-10-((((9H-fluoren-9-ylmethoxy)carbonyl)thio)methyl)-3,8,11-trioxo-2-oxa-4,9,12-triazatridecane-5,13-dicarboxylate; methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-(9H-fluoren-9-ylmethoxycarbonylsulfanylmethyl)-2-[(2-methoxy-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-5-oxo-pentanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661969	.	.	.	.	779.9	C42H41N3O10S	201	1350	5.9	56	3	11	20	"InChI=1S/C42H41N3O10S/c1-52-38(47)21-43-39(48)36(24-56-42(51)55-23-34-31-17-9-5-13-27(31)28-14-6-10-18-32(28)34)44-37(46)20-19-35(40(49)53-2)45-41(50)54-22-33-29-15-7-3-11-25(29)26-12-4-8-16-30(26)33/h3-18,33-36H,19-24H2,1-2H3,(H,43,48)(H,44,46)(H,45,50)"	COC(=O)CNC(=O)C(CSC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)CCC(C(=O)OC)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46	JFGHFCCXZAAPHY-UHFFFAOYSA-N
DG55115	"6-Amino-1,3-dibromo-5,6-dihydrocyclopenta[c]thiophen-4-one"	378795	"NSC662116; SCHEMBL75602; CHEMBL2009279; 6-amino-1,3-dibromo-5,6-dihydrocyclopenta[c]thiophen-4-one; {4H-Cyclopenta[c]thiophen-4-one,} 6-amino-1,3-dibromo- 5,6-dihydro-, hydrochloride; NCI60_021525; 1,3-Dibromo-6-amino-5,6-dihydro-4H-cyclopenta[c]thiophene-4-one; 4H-Cyclopenta[c]thiophen-4-one, 6-amino-1,3-dibromo- 5,6-dihydro-, hydrochloride; 6-Amino-1,3-dibromo-5,6-dihydro-4H-cyclopenta[c]thiophen-4-one hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662116	.	.	.	.	311	C7H5Br2NOS	71.3	226	2	12	1	3	0	"InChI=1S/C7H5Br2NOS/c8-6-4-2(10)1-3(11)5(4)7(9)12-6/h2H,1,10H2"	C1C(C2=C(SC(=C2C1=O)Br)Br)N	ZBJKXPGYCUSNHR-UHFFFAOYSA-N
DG55116	"N-(3-Bromo-6-oxo-5,6-dihydro-4H-cyclopenta[c]thien-4-yl)-2,2,2-trifluoroacetamide"	378798	"NSC662119; CHEMBL1974298; NSC-662119; N-(3-Bromo-6-oxo-5,6-dihydro-4H-cyclopenta[c]thien-4-yl)-2,2,2-trifluoroacetamide; NCI60_021527; N-(3-bromo-6-oxo-4,5-dihydrocyclopenta[c]thiophen-4-yl)-2,2,2-trifluoro-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662119	.	.	.	.	328.11	C9H5BrF3NO2S	74.4	363	2.4	17	1	6	1	"InChI=1S/C9H5BrF3NO2S/c10-7-6-3(2-17-7)5(15)1-4(6)14-8(16)9(11,12)13/h2,4H,1H2,(H,14,16)"	C1C(C2=C(SC=C2C1=O)Br)NC(=O)C(F)(F)F	SYZHRDMXBWIMGW-UHFFFAOYSA-N
DG55117	"6-Amino-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one"	378800	"NSC662120; CHEMBL2009181; 6-amino-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one; NCI60_021528; 1,3-Dichloro-6-amino-5,6-dihydro-4H-cyclopenta[c]thiophene-4-one; 6-Amino-1,3-dichloro-5,6-dihydro-4H-cyclopenta[c]thiophen-4-one hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662120	.	.	.	.	222.09	C7H5Cl2NOS	71.3	226	1.9	12	1	3	0	"InChI=1S/C7H5Cl2NOS/c8-6-4-2(10)1-3(11)5(4)7(9)12-6/h2H,1,10H2"	C1C(C2=C(SC(=C2C1=O)Cl)Cl)N	BAGAALISAFYOGI-UHFFFAOYSA-N
DG55118	"N-[3-bromo-6-oxo-1-(4-phenyl-1-piperidyl)-4,5-dihydrocyclopenta[c]thiophen-4-yl]-2,2,2-trifluoro-acetamide"	378804	"NSC662123; CHEMBL1989829; NSC-662123; N-(3-Bromo-6-oxo-1-(4-phenyl-1-piperidinyl)-5,6-dihydro-4H-cyclopenta[c]thien-4-yl)-2,2,2-trifluoroacetamide; NCI60_021531; N-[3-bromo-6-oxo-1-(4-phenyl-1-piperidyl)-4,5-dihydrocyclopenta[c]thiophen-4-yl]-2,2,2-trifluoro-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662123	.	.	.	.	487.3	C20H18BrF3N2O2S	77.6	636	5.1	29	1	7	3	"InChI=1S/C20H18BrF3N2O2S/c21-17-15-13(25-19(28)20(22,23)24)10-14(27)16(15)18(29-17)26-8-6-12(7-9-26)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,25,28)"	C1CN(CCC1C2=CC=CC=C2)C3=C4C(=O)CC(C4=C(S3)Br)NC(=O)C(F)(F)F	DCKMBKBWOHERDL-UHFFFAOYSA-N
DG55119	"4H-Cyclopenta[c]thiophen-4-one,3,5-tribromo-5,6-dihydro-6-[(trifluoroacetyl)amino]-, trans-"	378805	"NSC662124; NSC-662124; NCI60_021532; 4H-Cyclopenta[c]thiophen-4-one,3,5-tribromo- 5,6-dihydro-6-[(trifluoroacetyl)amino]-, trans-; Acetamide,3,5-tribromo-5,6-dihydro-4-oxo-4H-cyclopenta[c]thiophen-6-yl)-2,2,2-trifluoro-, trans"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662124	.	.	.	.	485.9	C9H3Br3F3NO2S	74.4	422	4.3	19	1	6	1	"InChI=1S/C9H3Br3F3NO2S/c10-3-4(16-8(18)9(13,14)15)1-2(5(3)17)7(12)19-6(1)11/h3-4H,(H,16,18)/t3 ,4-/m1/s1"	[C@@H]1(C(C(=O)C2=C(SC(=C21)Br)Br)Br)NC(=O)C(F)(F)F	IFSRPZREBSTVHH-SRBOSORUSA-N
DG55120	"Spiro[cyclohexane-1,3'-[3H]pyrano[2,3-c]acridin]-7'(12'H)-one, 6'-methoxy-12'-methyl-"	378815	"NSC662133; Spiro[cyclohexane-1,3'-[3H]pyrano[2,3-c]acridin]-7'(12'H)-one, 6'-methoxy-12'-methyl-; CHEMBL1975627; NSC-662133; NCI60_021540; 6'-methoxy-12'-methyl-spiro[cyclohexane-1,3'-pyrano[2,3-c]acridine]-7'-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662133	.	.	.	.	361.4	C23H23NO3	38.8	611	4.7	27	0	4	1	"InChI=1S/C23H23NO3/c1-24-17-9-5-4-8-15(17)22(25)20-19(26-2)14-18-16(21(20)24)10-13-23(27-18)11-6-3-7-12-23/h4-5,8-10,13-14H,3,6-7,11-12H2,1-2H3"	CN1C2=CC=CC=C2C(=O)C3=C(C=C4C(=C31)C=CC5(O4)CCCCC5)OC	QIJXGSALJLRUPX-UHFFFAOYSA-N
DG55121	2-[(7-Methoxy-1-nitro-acridin-9-yl)amino]ethanol	378849	NSC662189; SCHEMBL2921828; CHEMBL1978827; NSC-662189; NCI60_021569; 2-[(7-methoxy-1-nitro-acridin-9-yl)amino]ethanol; 2-((1-(Hydroxy(oxido)amino)-7-methoxy-9-acridinyl)amino)ethanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662189	.	.	.	.	313.31	C16H15N3O4	100	417	2.6	23	2	6	4	"InChI=1S/C16H15N3O4/c1-23-10-5-6-12-11(9-10)16(17-7-8-20)15-13(18-12)3-2-4-14(15)19(21)22/h2-6,9,20H,7-8H2,1H3,(H,17,18)"	COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCO	QKERPOLKEQREML-UHFFFAOYSA-N
DG55122	9-((2-(Dimethylamino)ethyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine	378851	"NSC662191; CHEMBL1993861; NSC-662191; NCI60_021571; N-(7-methoxy-1-nitro-acridin-9-yl)-N',N'-dimethyl-ethane-1,2-diamine; 9-((2-(Dimethylamino)ethyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662191	.	.	.	.	340.4	C18H20N4O3	83.2	456	3.3	25	1	6	5	"InChI=1S/C18H20N4O3/c1-21(2)10-9-19-18-13-11-12(25-3)7-8-14(13)20-15-5-4-6-16(17(15)18)22(23)24/h4-8,11H,9-10H2,1-3H3,(H,19,20)"	CN(C)CCNC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC	FGQDRDARUWHKTA-UHFFFAOYSA-N
DG55123	9-((3-(Diethylamino)propyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine	378852	"NSC662192; CHEMBL1977139; NSC-662192; NCI60_021572; N',N'-diethyl-N-(7-methoxy-1-nitro-acridin-9-yl)propane-1,3-diamine; 9-((3-(Diethylamino)propyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662192	.	.	.	.	382.5	C21H26N4O3	83.2	497	4.4	28	1	6	8	"InChI=1S/C21H26N4O3/c1-4-24(5-2)13-7-12-22-21-16-14-15(28-3)10-11-17(16)23-18-8-6-9-19(20(18)21)25(26)27/h6,8-11,14H,4-5,7,12-13H2,1-3H3,(H,22,23)"	CCN(CC)CCCNC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC	YUXSIPUVVAIXPX-UHFFFAOYSA-N
DG55124	"N'-(1-nitroacridin-9-yl)propane-1,3-diamine"	378853	"NSC662193; N'-(1-nitroacridin-9-yl)propane-1,3-diamine; CHEMBL1978172; SCHEMBL16054480; NSC-662193; NCI60_021573; Acridine-9-amine, N-(3-aminopropyl)-1-nitro-; 9-((3-Aminopropyl)amino)-1-(hydroxy(oxido)amino)acridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662193	.	.	.	.	296.32	C16H16N4O2	96.8	387	3.3	22	2	5	4	"InChI=1S/C16H16N4O2/c17-9-4-10-18-16-11-5-1-2-6-12(11)19-13-7-3-8-14(15(13)16)20(21)22/h1-3,5-8H,4,9-10,17H2,(H,18,19)"	C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCCN	CAFAFONOMYEYHO-UHFFFAOYSA-N
DG55125	"4-Nitro-10,10-dioxo-thioxanthen-9-one"	378894	"NSC662302; CHEMBL1979364; NSC-662302; 4-nitro-10,10-dioxo-thioxanthen-9-one; NCI60_021592; 4-(Hydroxy(oxido)amino)-9H-thioxanthen-9-one 10,10-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662302	.	.	.	.	289.26	C13H7NO5S	105	532	2.1	20	0	5	0	"InChI=1S/C13H7NO5S/c15-12-8-4-1-2-7-11(8)20(18,19)13-9(12)5-3-6-10(13)14(16)17/h1-7H"	C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C(=CC=C3)[N+](=O)[O-]	ZIFDGQDOEXFOAO-UHFFFAOYSA-N
DG55126	Fluoroanilino-azatoxin	378896	NSC662304; Fluoroanilino-azatoxin; NSC-662304; NCI60_021594	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662304	.	.	.	.	489.5	C27H24FN3O5	96	783	4.3	36	3	7	5	"InChI=1S/C27H24FN3O5/c1-34-20-11-14(12-21(35-2)26(20)32)25-24-22(17-5-3-4-6-18(17)30-24)23(19-13-36-27(33)31(19)25)29-16-9-7-15(28)8-10-16/h3-12,19,23,25,29-30,32H,13H2,1-2H3/t19-,23+,25 /m1/s1"	COC1=CC(=CC(=C1O)OC)C2C3=C([C@H]([C@@H]4N2C(=O)OC4)NC5=CC=C(C=C5)F)C6=CC=CC=C6N3	KRGUDELVCQGRQE-RPGGLDLESA-N
DG55127	Cyanoanilino-azatoxin	378897	Cyanoanilino-azatoxin; NSC662305; NSC-662305; NCI60_021595	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662305	.	.	.	.	496.5	C28H24N4O5	120	873	3.9	37	3	7	5	"InChI=1S/C28H24N4O5/c1-35-21-11-16(12-22(36-2)27(21)33)26-25-23(18-5-3-4-6-19(18)31-25)24(20-14-37-28(34)32(20)26)30-17-9-7-15(13-29)8-10-17/h3-12,20,24,26,30-31,33H,14H2,1-2H3/t20-,24+,26 /m1/s1"	COC1=CC(=CC(=C1O)OC)C2C3=C([C@H]([C@@H]4N2C(=O)OC4)NC5=CC=C(C=C5)C#N)C6=CC=CC=C6N3	UXAJBPQENPJRSE-LLHWJCAFSA-N
DG55128	Methyl-azatoxin	378898	NSC662306; Methyl-azatoxin; NSC-662306; NCI60_021596	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662306	.	.	.	.	394.4	C22H22N2O5	73	604	3.3	29	1	5	4	"InChI=1S/C22H22N2O5/c1-26-17-8-12(9-18(27-2)21(17)28-3)20-19-15(10-13-11-29-22(25)24(13)20)14-6-4-5-7-16(14)23-19/h4-9,13,20,23H,10-11H2,1-3H3/t13-,20 /m0/s1"	COC1=CC(=CC(=C1OC)OC)C2C3=C(C[C@@H]4N2C(=O)OC4)C5=CC=CC=C5N3	SCLLIEKCYQJGGW-SZQRVLIRSA-N
DG55129	2-chloro-3-(N-p-hexyloxyanilino)-naphthazarine	378901	NSC662372; 2-chloro-3-(N-p-hexyloxyanilino)-naphthazarine; CHEMBL1970097; NSC-662372; NCI60_021599	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662372	.	.	.	.	415.9	C22H22ClNO5	95.9	604	6.3	29	3	6	8	"InChI=1S/C22H22ClNO5/c1-2-3-4-5-12-29-14-8-6-13(7-9-14)24-20-19(23)21(27)17-15(25)10-11-16(26)18(17)22(20)28/h6-11,24,27-28H,2-5,12H2,1H3"	CCCCCCOC1=CC=C(C=C1)NC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O	LRMCAURFTVKTSA-UHFFFAOYSA-N
DG55130	"2-Chloro-3-(2-hydroxy-1,1-dimethyl-ethylamino)naphthazarin"	378904	"NSC662375; CHEMBL1983988; 2-Chloro-3-(2-hydroxy-1,1-dimethyl-ethylamino)naphthazarin; NSC-662375; NCI60_021602"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662375	.	.	.	.	311.72	C14H14ClNO5	107	478	2.4	21	4	6	3	"InChI=1S/C14H14ClNO5/c1-14(2,5-17)16-11-10(15)12(20)8-6(18)3-4-7(19)9(8)13(11)21/h3-4,16-17,20-21H,5H2,1-2H3"	CC(C)(CO)NC1=C(C2=C(C(=O)C=CC2=O)C(=C1Cl)O)O	FTOXTWIPCFDJIH-UHFFFAOYSA-N
DG55131	"7-Chloro-6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]quinoline-5,8-dione"	378910	NSC662381; CHEMBL1976554; NSC-662381; NCI60_021608	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662381	.	.	.	.	365.8	C17H20ClN3O4	83	546	0.9	25	1	7	6	"InChI=1S/C17H20ClN3O4/c18-13-15(16(23)12-2-1-3-19-14(12)17(13)24)21-6-4-20(5-7-21)8-10-25-11-9-22/h1-3,22H,4-11H2"	C1CN(CCN1CCOCCO)C2=C(C(=O)C3=C(C2=O)C=CC=N3)Cl	NDHDOMHKTGITBG-UHFFFAOYSA-N
DG55132	"6-Chloro-7-{4-[2-(2-hydroxy-ethoxy)-ethyl]-piperazin-1-yl}-quinoline-5,8-dione"	378911	"CHEMBL131657; NSC662382; BDBM50106506; NSC-662382; NCI60_021609; 6-Chloro-7-{4-[2-(2-hydroxy-ethoxy)-ethyl]-piperazin-1-yl}-quinoline-5,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662382	.	.	.	.	365.8	C17H20ClN3O4	83	546	0.9	25	1	7	6	"InChI=1S/C17H20ClN3O4/c18-13-15(17(24)14-12(16(13)23)2-1-3-19-14)21-6-4-20(5-7-21)8-10-25-11-9-22/h1-3,22H,4-11H2"	C1CN(CCN1CCOCCO)C2=C(C(=O)C3=C(C2=O)N=CC=C3)Cl	QIBWVZPGFJORRR-UHFFFAOYSA-N
DG55133	"2-Bromo-5,8-dihydroxy-3-methyl-1,4-naphthalenedione"	378912	"2-Bromo-5,8-dihydroxy-3-methyl-1,4-naphthalenedione; NSC662383; 2-Bromo-5,4-naphthoquinone; CHEMBL2001709; SCHEMBL17183612; NCI60_021610; 2-Bromo-5,8-dihydroxy-3-methylnaphthoquinone #; 104506-30-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662383	.	.	.	.	283.07	C11H7BrO4	74.6	365	2.9	16	2	4	0	"InChI=1S/C11H7BrO4/c1-4-9(12)11(16)8-6(14)3-2-5(13)7(8)10(4)15/h2-3,15-16H,1H3"	CC1=C(C2=C(C(=O)C=CC2=O)C(=C1Br)O)O	KURMYAWKKZTBDE-UHFFFAOYSA-N
DG55134	"Methyl 3-methyl-1,7-diphenyl-1,6-dihydropyrazolo[3,4-b][1,4]diazepine-5-carboxylate"	378932	"NSC662440; Methyl 3-methyl-1,7-diphenyl-1,6-dihydropyrazolo[3,4-b][1,4]diazepine-5-carboxylate; CHEMBL2001843; ZINC5940514; methyl 3-methyl-1,7-diphenyl-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylate; NSC-662440; NCI60_021625"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662440	.	.	.	.	358.4	C21H18N4O2	68.8	605	3.7	27	0	5	4	"InChI=1S/C21H18N4O2/c1-14-19-20(25(24-14)16-11-7-4-8-12-16)23-17(15-9-5-3-6-10-15)13-18(22-19)21(26)27-2/h3-12H,13H2,1-2H3"	CC1=NN(C2=C1N=C(CC(=N2)C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4	UWRABIHLAXIDEG-UHFFFAOYSA-N
DG55135	N-(4-chlorophenyl)-N-[3-oxo-3-[2-[1-(2-oxochromen-3-yl)ethyl]hydrazino]propanoyl]benzamide	378949	NSC662457; CHEMBL1999507; NSC-662457; NCI60_021642; N-(4-chlorophenyl)-N-[3-oxo-3-[2-[1-(2-oxochromen-3-yl)ethyl]hydrazino]propanoyl]benzamide; N-Benzoyl-N-(4-chlorophenyl)-3-oxo-3-(2-(1-(2-oxo-2H-chromen-3-yl)ethyl)hydrazino)propanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662457	.	.	.	.	503.9	C27H22ClN3O5	105	864	5	36	2	6	7	"InChI=1S/C27H22ClN3O5/c1-17(22-15-19-9-5-6-10-23(19)36-27(22)35)29-30-24(32)16-25(33)31(21-13-11-20(28)12-14-21)26(34)18-7-3-2-4-8-18/h2-15,17,29H,16H2,1H3,(H,30,32)"	CC(C1=CC2=CC=CC=C2OC1=O)NNC(=O)CC(=O)N(C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4	HXIBKJJEAZWEMY-UHFFFAOYSA-N
DG55136	"3-Methyl-1-phenyl-4,6-dihydropyrazolo(4,3-d)(1)benzazepin-5(1H)-one"	378957	"NSC662553; 106148-11-2; MLS002702140; 3-Methyl-1-phenyl-4,6-dihydropyrazolo(4,3-d)(1)benzazepin-5(1H)-one; 3-Methyl-1-phenyl-4,6-dihydropyrazolo[4,3-d][1]benzazepin-5(1H)-one; NSC 662553; NCIMech_000511; CHEMBL1724969; DTXSID40909942; ZINC1638620; CCG-35684; NSC-662553; NCI60_021644; SMR001565705; Pyrazolo[3, 1,4,5,6-tetrahydro-3-methyl-1-phenyl-; 3-Methyl-1-phenyl-1,4-dihydropyrazolo[4,3-d][1]benzazepin-5-ol; 3-methyl-1-phenyl-4,6-dihydropyrazolo[4,3-d][1]benzazepin-5-one; {Pyrazolo[3,4-d][1]benzazepin-5-one,} 1,4,5, 6-tetrahydro-3-methyl-1-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662553	.	.	.	.	289.3	C18H15N3O	46.9	421	2.8	22	1	2	1	"InChI=1S/C18H15N3O/c1-12-15-11-17(22)19-16-10-6-5-9-14(16)18(15)21(20-12)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,22)"	CC1=NN(C2=C1CC(=O)NC3=CC=CC=C32)C4=CC=CC=C4	HDYUIMHCGQNIMV-UHFFFAOYSA-N
DG55137	"Ethyl 3,5-dibromo-4-(4-methoxyphenyl)-1-methyl-1H-pyrrole-2-carboxylate"	378969	"NSC662561; Ethyl 3,5-dibromo-4-(4-methoxyphenyl)-1-methyl-1H-pyrrole-2-carboxylate; CHEMBL1966463; NSC-662561; NCI60_021648; ethyl 3,5-dibromo-4-(4-methoxyphenyl)-1-methyl-pyrrole-2-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662561	.	.	.	.	417.09	C15H15Br2NO3	40.5	361	4.5	21	0	3	5	"InChI=1S/C15H15Br2NO3/c1-4-21-15(19)13-12(16)11(14(17)18(13)2)9-5-7-10(20-3)8-6-9/h5-8H,4H2,1-3H3"	CCOC(=O)C1=C(C(=C(N1C)Br)C2=CC=C(C=C2)OC)Br	IUXQWTPCTXMXNF-UHFFFAOYSA-N
DG55138	"Ethyl 3,5-dibromo-4-(4-bromophenyl)-1H-pyrrole-2-carboxylate"	378972	"NSC662564; CHEMBL263653; Ethyl 3,5-dibromo-4-(4-bromophenyl)-1H-pyrrole-2-carboxylate; ZINC1638632; NSC-662564; NCI60_021651; 1H-Pyrrole-2-carboxylic acid,5-dibromo-, ethyl ester; 1H-Pyrrole-2-carboxylic acid, 4-(4-bromophenyl)-3,5-dibromo-, ethyl ester; 3,5-Dibromo-4-(4-bromophenyl)-1H-pyrrole-2-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662564	.	.	.	.	451.94	C13H10Br3NO2	42.1	321	5.3	19	1	2	4	"InChI=1S/C13H10Br3NO2/c1-2-19-13(18)11-10(15)9(12(16)17-11)7-3-5-8(14)6-4-7/h3-6,17H,2H2,1H3"	CCOC(=O)C1=C(C(=C(N1)Br)C2=CC=C(C=C2)Br)Br	BLHGOYXIPZHZDY-UHFFFAOYSA-N
DG55139	"Ethyl 3,5-dibromo-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate"	378973	"NSC662565; Ethyl 3,5-dibromo-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate; CHEMBL409040; SCHEMBL16569656; 3,5-dibromo-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylic acid ethyl ester; NSC-662565; NCI60_021652"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662565	.	.	.	.	433.09	C15H15Br2NO4	60.6	385	4.5	22	1	4	6	"InChI=1S/C15H15Br2NO4/c1-4-22-15(19)13-12(16)11(14(17)18-13)8-5-6-9(20-2)10(7-8)21-3/h5-7,18H,4H2,1-3H3"	CCOC(=O)C1=C(C(=C(N1)Br)C2=CC(=C(C=C2)OC)OC)Br	OMASOAOYMQBFGC-UHFFFAOYSA-N
DG55140	Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate	378974	Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate; NSC662566; 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylic acid ethyl ester; SCHEMBL8667869; CHEMBL1984693; ZINC1638634; NSC-662566; NCI60_021653; ethyl 5-(p-chlorophenyl)pyrrole-2-carboxylate; ethyl 5-(p-chlorophenyl)-pyrrole-2-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662566	.	.	.	.	249.69	C13H12ClNO2	42.1	264	3.6	17	1	2	4	"InChI=1S/C13H12ClNO2/c1-2-17-13(16)12-8-7-11(15-12)9-3-5-10(14)6-4-9/h3-8,15H,2H2,1H3"	CCOC(=O)C1=CC=C(N1)C2=CC=C(C=C2)Cl	LPOQYIAWZPQUSJ-UHFFFAOYSA-N
DG55141	Ethyl 4-(4-methoxyphenyl)-1-methyl-5-nitro-pyrrole-2-carboxylate	378977	NSC662569; CHEMBL1989420; NSC-662569; NCI60_021656; ethyl 4-(4-methoxyphenyl)-1-methyl-5-nitro-pyrrole-2-carboxylate; Ethyl 5-(hydroxy(oxido)amino)-4-(4-methoxyphenyl)-1-methyl-1H-pyrrole-2-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662569	.	.	.	.	304.3	C15H16N2O5	86.3	403	3	22	0	5	5	"InChI=1S/C15H16N2O5/c1-4-22-15(18)13-9-12(14(16(13)2)17(19)20)10-5-7-11(21-3)8-6-10/h5-9H,4H2,1-3H3"	CCOC(=O)C1=CC(=C(N1C)[N+](=O)[O-])C2=CC=C(C=C2)OC	TWJCFLSTYOAFCZ-UHFFFAOYSA-N
DG55142	Ethyl 4-(4-chlorophenyl)-1-methyl-5-nitro-pyrrole-2-carboxylate	378979	NSC662571; CHEMBL1995607; NSC-662571; NCI60_021658; ethyl 4-(4-chlorophenyl)-1-methyl-5-nitro-pyrrole-2-carboxylate; Ethyl 4-(4-chlorophenyl)-5-(hydroxy(oxido)amino)-1-methyl-1H-pyrrole-2-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662571	.	.	.	.	308.71	C14H13ClN2O4	77	393	3.6	21	0	4	4	"InChI=1S/C14H13ClN2O4/c1-3-21-14(18)12-8-11(13(16(12)2)17(19)20)9-4-6-10(15)7-5-9/h4-8H,3H2,1-2H3"	CCOC(=O)C1=CC(=C(N1C)[N+](=O)[O-])C2=CC=C(C=C2)Cl	QVGUWKMDAAAPFF-UHFFFAOYSA-N
DG55143	ethyl 4-(4-methoxyphenyl)-5-nitro-1H-pyrrole-2-carboxylate	378980	NSC662572; ethyl 4-(4-methoxyphenyl)-5-nitro-1H-pyrrole-2-carboxylate; CHEMBL1982977; NSC-662572; NCI60_021659; Ethyl 5-(hydroxy(oxido)amino)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662572	.	.	.	.	290.27	C14H14N2O5	97.1	376	3	21	1	5	5	"InChI=1S/C14H14N2O5/c1-3-21-14(17)12-8-11(13(15-12)16(18)19)9-4-6-10(20-2)7-5-9/h4-8,15H,3H2,1-2H3"	CCOC(=O)C1=CC(=C(N1)[N+](=O)[O-])C2=CC=C(C=C2)OC	APWHLKGYXAFNQM-UHFFFAOYSA-N
DG55144	ethyl 5-nitro-4-(4-nitrophenyl)-1H-pyrrole-2-carboxylate	378981	NSC662573; ethyl 5-nitro-4-(4-nitrophenyl)-1H-pyrrole-2-carboxylate; CHEMBL1974930; NSC-662573; NCI60_021660; Ethyl 5-(hydroxy(oxido)amino)-4-(4-(hydroxy(oxido)amino)phenyl)-1H-pyrrole-2-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662573	.	.	.	.	305.24	C13H11N3O6	134	438	2.9	22	1	6	4	"InChI=1S/C13H11N3O6/c1-2-22-13(17)11-7-10(12(14-11)16(20)21)8-3-5-9(6-4-8)15(18)19/h3-7,14H,2H2,1H3"	CCOC(=O)C1=CC(=C(N1)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]	CJZQVNYTOOWSDW-UHFFFAOYSA-N
DG55145	"Ethyl 1,4-dimethyl-3-phenyl-1H-pyrrole-2-carboxylate"	378982	"NSC662574; Ethyl 1,4-dimethyl-3-phenyl-1H-pyrrole-2-carboxylate; SCHEMBL1748814; CHEMBL2005287; ZINC1638642; NSC-662574; NCI60_021661; ethyl 1,4-dimethyl-3-phenyl-pyrrole-2-carboxylate; 1,4-dimethyl-3-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662574	.	.	.	.	243.3	C15H17NO2	31.2	286	3.2	18	0	2	4	"InChI=1S/C15H17NO2/c1-4-18-15(17)14-13(11(2)10-16(14)3)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3"	CCOC(=O)C1=C(C(=CN1C)C)C2=CC=CC=C2	GHCXKSUSPXYUSB-UHFFFAOYSA-N
DG55146	"3-Ethyl-1-hydroxynaphtho[2',3':4,5]furo[2,3-c]pyridine-4-carboxylic acid"	378987	"NSC662579; 3-Ethyl-1-hydroxynaphtho[2',3':4,5]furo[2,3-c]pyridine-4-carboxylic acid; CHEMBL1998581; ethyl(hydroxy)[ ]carboxylic acid; NSC-662579; NCI60_021666"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662579	.	.	.	.	307.3	C18H13NO4	79.5	569	3.4	23	2	4	2	"InChI=1S/C18H13NO4/c1-2-12-15(18(21)22)14-11-7-9-5-3-4-6-10(9)8-13(11)23-16(14)17(20)19-12/h3-8H,2H2,1H3,(H,19,20)(H,21,22)"	CCC1=C(C2=C(C(=O)N1)OC3=CC4=CC=CC=C4C=C32)C(=O)O	YMEIBEYKNUUBDD-UHFFFAOYSA-N
DG55147	N-(2-cyanoethyl)-2-diazo-N-methyl-3-oxo-butanamide	379006	NSC662774; CHEMBL1985201; ZINC5940573; NSC-662774; NCI60_021681; N-(2-cyanoethyl)-2-diazo-N-methyl-3-oxo-butanamide; N-(2-Cyanoethyl)-2-(1.lambda.~5~-diazenylidene)-N-methyl-3-oxobutanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662774	.	.	.	.	194.19	C8H10N4O2	63.2	346	-0.5	14	0	4	4	"InChI=1S/C8H10N4O2/c1-6(13)7(11-10)8(14)12(2)5-3-4-9/h3,5H2,1-2H3"	CC(=O)C(=[N+]=[N-])C(=O)N(C)CCC#N	CYEQKJFEFACFAD-UHFFFAOYSA-N
DG55148	4-[2-(Benzenesulfonyl)-2-diazo-acetyl]oxybut-2-ynyl 2-(benzenesulfonyl)-2-diazo-acetate	379008	NSC662775; CHEMBL1985796; ZINC5940577; NSC-662775; NCI60_021682; 4-[2-(benzenesulfonyl)-2-diazo-acetyl]oxybut-2-ynyl 2-(benzenesulfonyl)-2-diazo-acetate; 4-((2-(1.Lambda.~5~-Diazenylidene)-2-(phenylsulfonyl)acetyl)oxy)-2-butynyl 1.lambda.~5~-diazenylidene(phenylsulfonyl)acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662775	.	.	.	.	502.5	C20H14N4O8S2	142	1070	3	34	0	10	10	"InChI=1S/C20H14N4O8S2/c21-23-17(33(27,28)15-9-3-1-4-10-15)19(25)31-13-7-8-14-32-20(26)18(24-22)34(29,30)16-11-5-2-6-12-16/h1-6,9-12H,13-14H2"	C1=CC=C(C=C1)S(=O)(=O)C(=[N+]=[N-])C(=O)OCC#CCOC(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC=CC=C2	FVEMJQGRAKGDDB-UHFFFAOYSA-N
DG55149	5-(Benzoyloxy)-7-methyl-3-octynyl benzoate	379014	NSC662778; 5-(Benzoyloxy)-7-methyl-3-octynyl benzoate; CHEMBL1972277; NSC-662778; NCI60_021685; (5-benzoyloxy-7-methyl-oct-3-ynyl) benzoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662778	.	.	.	.	364.4	C23H24O4	52.6	527	5.6	27	0	4	9	"InChI=1S/C23H24O4/c1-18(2)17-21(27-23(25)20-13-7-4-8-14-20)15-9-10-16-26-22(24)19-11-5-3-6-12-19/h3-8,11-14,18,21H,10,16-17H2,1-2H3"	CC(C)CC(C#CCCOC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2	ONXLYCNPIAFKGG-UHFFFAOYSA-N
DG55150	"2-(2-(Phenylsulfonyl)-2,3-butadienyl)cyclohexanone"	379026	"NSC662788; 2-(2-(Phenylsulfonyl)-2,3-butadienyl)cyclohexanone; 2-[2-(Phenylsulfonyl)-2,3-butadienyl]cyclohexanone; CHEMBL1968432; NSC-662788; NCI60_021693; 2-[2-(benzenesulfonyl)buta-2,3-dienyl]cyclohexanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662788	.	.	.	.	290.4	C16H18O3S	59.6	500	2.3	20	0	3	4	"InChI=1S/C16H18O3S/c1-2-14(12-13-8-6-7-11-16(13)17)20(18,19)15-9-4-3-5-10-15/h3-5,9-10,13H,1,6-8,11-12H2"	C=C=C(CC1CCCCC1=O)S(=O)(=O)C2=CC=CC=C2	SYHFPVJPQMKXCX-UHFFFAOYSA-N
DG55151	"2,3-Dimethoxy-6-((3,4,5-trimethoxyphenoxy)methyl)quinoxaline"	379032	"NSC662794; 2,3-Dimethoxy-6-((3,4,5-trimethoxyphenoxy)methyl)quinoxaline; 2,3-dimethoxy-6-[(3,4,5-trimethoxyphenoxy)methyl]quinoxaline; CHEMBL1967608; NSC-662794; NCI60_021696"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662794	.	.	.	.	386.4	C20H22N2O6	81.2	456	3.2	28	0	8	8	"InChI=1S/C20H22N2O6/c1-23-16-9-13(10-17(24-2)18(16)25-3)28-11-12-6-7-14-15(8-12)22-20(27-5)19(21-14)26-4/h6-10H,11H2,1-5H3"	COC1=CC(=CC(=C1OC)OC)OCC2=CC3=C(C=C2)N=C(C(=N3)OC)OC	MZJGIUHOLRDUGO-UHFFFAOYSA-N
DG55152	"5H-Pyrido(2,3-e)(1,3,4)triazepin-5-one, 3,4-dihydro-2-amino-"	379035	"NSC662797; 120873-27-0; 5H-Pyrido(2,3-e)(1,3,4)triazepin-5-one, 3,4-dihydro-2-amino-; 2-amino-3,4-dihydropyrido[2,3-e][1,2,4]triazepin-5-one; 2-Amino-3H-4,5-dihydropyrido-(2,3-e)-1,3,4-triazepin-5-one; 5H-Pyrido(2,3-e)(1,2,4)triazepin-5-one, 1,4-dihydro-2-amino-; CHEMBL1966674; DTXSID40153044; ZINC16958505; NSC-662797; NCI60_021699; FT-0700451; 1H-Pyrido[2,2,4][triazepin-1-one, 4-amino-2,3-dihydro; 1H-Pyrido[2,3-e][1,2,4][triazepin-1-one, 4-amino-2,3-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662797	.	.	.	.	177.16	C7H7N5O	92.4	251	-0.9	13	3	3	0	"InChI=1S/C7H7N5O/c8-7-10-5-4(2-1-3-9-5)6(13)11-12-7/h1-3H,(H,11,13)(H3,8,9,10,12)"	C1=CC2=C(N=C1)N=C(NNC2=O)N	RPMPHAQTRSNDFR-UHFFFAOYSA-N
DG55153	"3,7-Dichloro-3-(chloromethyl)-7-methyl-1-octene"	379036	"NSC662809; CHEMBL2002560; NSC-662809; NCI60_021700; 3,7-dichloro-3-(chloromethyl)-7-methyl-1-octene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662809	.	.	.	.	401.4	C10H15Br2Cl3	0	231	5.2	15	0	0	6	"InChI=1S/C10H15Br2Cl3/c1-7(14)10(12,6-13)5-4-8(11)9(2,3)15/h8H,1,4-6H2,2-3H3"	CC(C)(C(CCC(CCl)(C(=C)Cl)Br)Br)Cl	ODSBJZRNTONBMP-UHFFFAOYSA-N
DG55154	"6-N-(4-Morpholino)-7-chloro-5,8-quinolinedione"	379074	"NSC663281; 6-N-(4-Morpholino)-7-chloro-5,8-quinolinedione; CHEMBL1984413; NSC-663281; NCI60_021729"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663281	.	.	.	.	278.69	C13H11ClN2O3	59.5	443	1.5	19	0	5	1	"InChI=1S/C13H11ClN2O3/c14-9-11(16-4-6-19-7-5-16)12(17)8-2-1-3-15-10(8)13(9)18/h1-3H,4-7H2"	C1COCCN1C2=C(C(=O)C3=C(C2=O)C=CC=N3)Cl	RMIQPWZCLKZDEM-UHFFFAOYSA-N
DG55155	"6-Chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dione"	379077	"NSC 663284; 383907-43-5; NSC-663284; DA-3003-1; SPS8I1; NSC663284; 6-Chloro-7-(2-morpholin-4-yl-ethylamino)quinoline-5,8-dione; 6-chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dione; UNII-CY8W2F69MW; CY8W2F69MW; 6-Chloro-7-((2-morpholinoethyl)amino)quinoline-5,8-dione; MLS006010693; SCHEMBL2556224; CHEBI:92053; DTXSID50327512; 6-chloro-7-(2-morpholin-4-ylethylamino)quinoline-5,8-dione; BDBM420306; HMS3268K22; HMS3412L16; HMS3676L16; BCP16027; MFCD08276924; AKOS024456823; ZINC100002044; CS-7519; NCGC00092289-01; NCGC00092289-02; NCI60_021732; SMR002530674; DA 3003-1; DS-017054; HY-100034; B6881; DA 3003-01; A13524; NSC 663284, >=98% (HPLC), solid; 5,6-chloro-7-[[2-(4-morpholinyl)ethyl]amino]-; BRD-K03109492-001-01-4; Q27163848; 7-N-(Aminoethyl-4-morpholino)-6-chloro-5,8-quinolinedione; 6-chloro-7-[2-(4-morpholinyl)ethylamino]quinoline-5,8-dione; 6-Chloro-7-[[2-(4-morpholinyl)ethyl]amino]-5,8-quinolinedione; 6-chloro-7-{[2-(morpholin-4-yl)ethyl]amino}-5,8-dihydroquinoline-5,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663284	.	.	.	.	321.76	C15H16ClN3O3	71.5	488	1.4	22	1	6	4	"InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-3,18H,4-9H2"	C1COCCN1CCNC2=C(C(=O)C3=C(C2=O)N=CC=C3)Cl	BMKPVDQDJQWBPD-UHFFFAOYSA-N
DG55156	"7-Chloro-6-(2-morpholin-4-ylethylamino)quinoline-5,8-dione"	379078	"383907-47-9; DA-3003-2; 7-chloro-6-(2-morpholin-4-ylethylamino)quinoline-5,8-dione; NSC663285; SCHEMBL17250113; ZINC100897889; NSC-663285; NCI60_021733; 7-chloro-6-(2-morpholin-4-ylethylamino)-quino-line-5,8-dione; 6-N-(Aminoethyl-2-(4-morpholino))-6-chloro-5,8-quinolinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663285	.	.	.	.	321.76	C15H16ClN3O3	71.5	488	1.4	22	1	6	4	"InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)14(20)10-2-1-3-17-12(10)15(11)21/h1-3,18H,4-9H2"	C1COCCN1CCNC2=C(C(=O)C3=C(C2=O)C=CC=N3)Cl	LGTBDMBBPVNDSZ-UHFFFAOYSA-N
DG55157	"7-Chloro-6-N-(2-fluoroethylamino)-5,8-quinolinedione"	379079	"NSC663286; SCHEMBL2599204; CHEMBL1966073; NSC-663286; NCI60_021734; 7-Chloro-6-N-(2-fluoroethylamino)-5,8-quinolinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663286	.	.	.	.	254.64	C11H8ClFN2O2	59.1	384	2.1	17	1	5	3	"InChI=1S/C11H8ClFN2O2/c12-7-9(15-5-3-13)10(16)6-2-1-4-14-8(6)11(7)17/h1-2,4,15H,3,5H2"	C1=CC2=C(C(=O)C(=C(C2=O)NCCF)Cl)N=C1	VHFIMKUFLLZCDS-UHFFFAOYSA-N
DG55158	"7-Chloro-6-N-(4-(2'-pyridyl)piperazino)-5,8-quinolinedione"	379080	"NSC663287; CHEMBL1996422; 7-Chloro-6-N-(4-(2'-pyridyl)piperazino)-5,8-quinolinedione; NSC-663287; NCI60_021735"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663287	.	.	.	.	354.8	C18H15ClN4O2	66.4	586	2.7	25	0	6	2	"InChI=1S/C18H15ClN4O2/c19-14-16(17(24)12-4-3-7-21-15(12)18(14)25)23-10-8-22(9-11-23)13-5-1-2-6-20-13/h1-7H,8-11H2"	C1CN(CCN1C2=CC=CC=N2)C3=C(C(=O)C4=C(C3=O)C=CC=N4)Cl	YFIRLCDIKBWLFV-UHFFFAOYSA-N
DG55159	2-chloro-3-(3-(N-morpholino)propylamino)-naphthazarine	379081	NSC663289; 2-chloro-3-(3-(N-morpholino)propylamino)-naphthazarine; CHEMBL1980986; NSC-663289; NCI60_021737	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663289	.	.	.	.	366.8	C17H19ClN2O5	99.1	537	2.5	25	3	7	5	"InChI=1S/C17H19ClN2O5/c18-14-15(19-4-1-5-20-6-8-25-9-7-20)17(24)13-11(22)3-2-10(21)12(13)16(14)23/h2-3,19,23-24H,1,4-9H2"	C1COCCN1CCCNC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O	GCLGFRWOGRFJNL-UHFFFAOYSA-N
DG55160	2-chloro-3-N-(2'-(R)-hydroxymethylpyrrolidino)-naphthazarine	379082	CHEMBL1981922; 2-chloro-3-N-(2'-(R)-hydroxymethylpyrrolidino)-naphthazarine; NSC663290; NSC-663290; NCI60_021738	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663290	.	.	.	.	323.73	C15H14ClNO5	98.1	510	2.5	22	3	6	2	"InChI=1S/C15H14ClNO5/c16-12-13(17-5-1-2-7(17)6-18)15(22)11-9(20)4-3-8(19)10(11)14(12)21/h3-4,7,18,21-22H,1-2,5-6H2/t7-/m1/s1"	C1C[C@@H](N(C1)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O)CO	DMBYJEAVLQOFFL-SSDOTTSWSA-N
DG55161	2-chloro-3-N-(2'-(S)-hydroxymethylpyrrolidino)-naphthazarine	379083	NSC663291; CHEMBL2001002; 2-chloro-3-N-(2'-(S)-hydroxymethylpyrrolidino)-naphthazarine; NSC-663291; NCI60_021739	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663291	.	.	.	.	323.73	C15H14ClNO5	98.1	510	2.5	22	3	6	2	"InChI=1S/C15H14ClNO5/c16-12-13(17-5-1-2-7(17)6-18)15(22)11-9(20)4-3-8(19)10(11)14(12)21/h3-4,7,18,21-22H,1-2,5-6H2/t7-/m0/s1"	C1C[C@H](N(C1)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O)CO	DMBYJEAVLQOFFL-ZETCQYMHSA-N
DG55162	"6-Chloro-7-N-(2-fluoroethylamino)-5,8-quinolinedione"	379084	"NSC663292; CHEMBL1978798; NSC-663292; NCI60_021740; 6-Chloro-7-N-(2-fluoroethylamino)-5,8-quinolinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663292	.	.	.	.	254.64	C11H8ClFN2O2	59.1	384	2.1	17	1	5	3	"InChI=1S/C11H8ClFN2O2/c12-7-9(15-5-3-13)11(17)8-6(10(7)16)2-1-4-14-8/h1-2,4,15H,3,5H2"	C1=CC2=C(C(=O)C(=C(C2=O)Cl)NCCF)N=C1	LZEPICGOABXQOY-UHFFFAOYSA-N
DG55163	Bis(2-chloroethyl)-N-methyl-N-(5-methoxy-2-nitrobenzyl) ammonium chloride	379103	NSC663315; CHEMBL416524; SCHEMBL8432839; Bis(2-chloroethyl)-N-methyl-N-(5-methoxy-2-nitrobenzyl) ammonium chloride; NSC-663315	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663315	.	.	.	.	357.7	C13H19Cl3N2O3	55	307	.	21	0	4	7	"InChI=1S/C13H19Cl2N2O3.ClH/c1-17(7-5-14,8-6-15)10-11-9-12(20-2)3-4-13(11)16(18)19;/h3-4,9H,5-8,10H2,1-2H3;1H/q+1;/p-1"	C[N+](CCCl)(CCCl)CC1=C(C=CC(=C1)OC)[N+](=O)[O-].[Cl-]	GZUCUFHHIVTWDB-UHFFFAOYSA-M
DG55164	3-Demethyl-3-ethoxycarbonylthiocolchicine	379107	"NSC663321; NSC-663321; 3-Demethyl-3-ethoxycarbonylthiocolchicine; 3-Ethoxycarbonyl-3-demethylthiocolchicine; NCI60_021759; 7-(Acetylamino)-1,2-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-3-yl ethyl carbonate #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663321	.	.	.	.	473.5	C24H27NO7S	126	865	2.3	33	1	8	8	"InChI=1S/C24H27NO7S/c1-6-31-24(28)32-19-11-14-7-9-17(25-13(2)26)16-12-18(27)20(33-5)10-8-15(16)21(14)23(30-4)22(19)29-3/h8,10-12,17H,6-7,9H2,1-5H3,(H,25,26)"	CCOC(=O)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C)OC)OC	LDZKAGVVCFBEMQ-UHFFFAOYSA-N
DG55165	3-Demethyl-3-butyrylthiocolchicine	379108	NSC663322; 3-Demethyl-3-butyrylthiocolchicine; NSC-663322; NCI60_021760	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663322	.	.	.	.	471.6	C25H29NO6S	116	863	2.4	33	1	7	8	"InChI=1S/C25H29NO6S/c1-6-7-22(29)32-20-12-15-8-10-18(26-14(2)27)17-13-19(28)21(33-5)11-9-16(17)23(15)25(31-4)24(20)30-3/h9,11-13,18H,6-8,10H2,1-5H3,(H,26,27)"	CCCC(=O)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C)OC)OC	NXMUVIPICRBKOW-UHFFFAOYSA-N
DG55166	3-Ethoxycarbonyl-N-trifluoroacetylthiocolchicine	379109	NSC663323; NSC-663323; NCI60_021761; 3-Ethoxycarbonyl-N-trifluoroacetylthiocolchicine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663323	.	.	.	.	527.5	C24H24F3NO7S	126	962	3.5	36	1	11	8	"InChI=1S/C24H24F3NO7S/c1-5-34-23(31)35-17-10-12-6-8-15(28-22(30)24(25,26)27)14-11-16(29)18(36-4)9-7-13(14)19(12)21(33-3)20(17)32-2/h7,9-11,15H,5-6,8H2,1-4H3,(H,28,30)"	CCOC(=O)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C(F)(F)F)OC)OC	GARIEDXBHKTNKL-UHFFFAOYSA-N
DG55167	"14,21-Dimethyl-1,12-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2,4,6,8,10,12,14,16,18,20-decaene"	379114	NSC663328; CHEMBL1979674; NSC-663328; NCI60_021766	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663328	.	.	.	.	296.4	C21H16N2	17.3	449	6.1	23	0	1	0	"InChI=1S/C21H16N2/c1-13-17-9-5-6-10-18(17)14(2)23-20-12-16-8-4-3-7-15(16)11-19(20)22-21(13)23/h3-12H,1-2H3"	CC1=C2C=CC=CC2=C(N3C1=NC4=CC5=CC=CC=C5C=C43)C	WISYHMYRACVPRI-UHFFFAOYSA-N
DG55168	"11-Methylbenzimidazolo[1,2-b]isoquinoline"	379117	NSC663331; CHEMBL1990986; NSC-663331; NCI60_021769	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663331	.	.	.	.	232.28	C16H12N2	17.3	316	4.8	18	0	1	0	"InChI=1S/C16H12N2/c1-11-13-7-3-2-6-12(13)10-16-17-14-8-4-5-9-15(14)18(11)16/h2-10H,1H3"	CC1=C2C=CC=CC2=CC3=NC4=CC=CC=C4N13	RPGDRAFLOZLDMO-UHFFFAOYSA-N
DG55169	"7-methoxy-5,11-dimethyl-10H-pyrido[3,4-b]carbazole"	379120	NSC663334; CHEMBL1984469; NSC-663334; NCI60_021772	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663334	.	.	.	.	276.3	C18H16N2O	37.9	387	4.8	21	1	2	1	"InChI=1S/C18H16N2O/c1-10-13-6-7-19-9-15(13)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3"	CC1=C2C=CN=CC2=C(C3=C1C4=C(N3)C=CC(=C4)OC)C	FADZDHSBHUCMGW-UHFFFAOYSA-N
DG55170	"5,11-dimethyl-10H-pyrido[2,3-b]carbazol-7-ol"	379123	NSC663337; CHEMBL1985790; NSC-663337; NCI60_021775	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663337	.	.	.	.	262.3	C17H14N2O	48.9	374	4	20	2	2	0	"InChI=1S/C17H14N2O/c1-9-12-4-3-7-18-16(12)10(2)17-15(9)13-8-11(20)5-6-14(13)19-17/h3-8,19-20H,1-2H3"	CC1=C2C=CC=NC2=C(C3=C1C4=C(N3)C=CC(=C4)O)C	FPKMBJNMQXHMMC-UHFFFAOYSA-N
DG55171	"7-Nitro-1-benzoxepine-3,5-dione"	379143	"NSC663422; 7-nitro-1-benzoxepine-3,5-dione; CHEMBL1966586; SCHEMBL10963390; NSC-663422; NCI60_021790; 7-Nitro-1-benzoxepin-3,5(2H,4H)-dione; 7-(Hydroxy(oxido)amino)-1-benzoxepine-3,5(2H,4H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663422	.	.	.	.	221.17	C10H7NO5	89.2	335	1.2	16	0	5	0	"InChI=1S/C10H7NO5/c12-7-4-9(13)8-3-6(11(14)15)1-2-10(8)16-5-7/h1-3H,4-5H2"	C1C(=O)COC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]	QKTQPRBTMNLASN-UHFFFAOYSA-N
DG55172	"1-Ethyl 2,3-dimethyl 4-(2,6-dimethylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-1,2,3-tricarboxylate"	379156	"NSC663570; 1-Ethyl 2,3-dimethyl 4-(2,6-dimethylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-1,2,3-tricarboxylate; CHEMBL2004328; NSC-663570; NCI60_021802; O4-ethyl O2,O3-dimethyl 1-(2,6-dimethylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3,4-tricarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663570	.	.	.	.	388.4	C21H24O7	88.1	702	2.5	28	0	7	8	"InChI=1S/C21H24O7/c1-6-27-19(24)21-11-10-20(28-21,14-12(2)8-7-9-13(14)3)15(17(22)25-4)16(21)18(23)26-5/h7-9H,6,10-11H2,1-5H3"	CCOC(=O)C12CCC(O1)(C(=C2C(=O)OC)C(=O)OC)C3=C(C=CC=C3C)C	GLFYMSNFJDGJGI-UHFFFAOYSA-N
DG55173	1-(1-Benzoylpyrrolidin-2-yl)-2-diazo-ethanone	379174	NSC663586; CHEMBL1981337; NSC-663586; NCI60_021818; 1-(1-benzoylpyrrolidin-2-yl)-2-diazo-ethanone; 1-(1-Benzoyl-2-pyrrolidinyl)-2-(1.lambda.~5~-diazenylidene)ethanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663586	.	.	.	.	243.26	C13H13N3O2	39.4	382	1.7	18	0	3	3	"InChI=1S/C13H13N3O2/c14-15-9-12(17)11-7-4-8-16(11)13(18)10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2"	C1CC(N(C1)C(=O)C2=CC=CC=C2)C(=O)C=[N+]=[N-]	JSKFTTQKBUBZEA-UHFFFAOYSA-N
DG55174	N-(cyanomethyl)-2-diazo-3-oxo-butanamide	379180	NSC663589; CHEMBL1967603; NSC-663589; NCI60_021821; N-(cyanomethyl)-2-diazo-3-oxo-butanamide; N-(Cyanomethyl)-2-(1.lambda.~5~-diazenylidene)-3-oxobutanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663589	.	.	.	.	166.14	C6H6N4O2	72	305	0	12	1	4	3	"InChI=1S/C6H6N4O2/c1-4(11)5(10-8)6(12)9-3-2-7/h3H2,1H3,(H,9,12)"	CC(=O)C(=[N+]=[N-])C(=O)NCC#N	DTGFTVZXEQQXNW-UHFFFAOYSA-N
DG55175	"Methyl 3-(5,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)propanoate"	379184	"NSC663592; Methyl 3-(5,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)propanoate; CHEMBL1988683; NSC-663592; NCI60_021824; methyl 3-(5,5-dimethyl-4H-oxazol-2-yl)propanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663592	.	.	.	.	185.22	C9H15NO3	47.9	233	0.2	13	0	4	4	"InChI=1S/C9H15NO3/c1-9(2)6-10-7(13-9)4-5-8(11)12-3/h4-6H2,1-3H3"	CC1(CN=C(O1)CCC(=O)OC)C	JJLOFRLCHSVJEO-UHFFFAOYSA-N
DG55176	"Methyl 2-[4-(2-methoxycarbonylphenyl)buta-1,3-diynyl]benzoate"	379185	"NSC663593; Benzoic acid, 2,2'-(1,3-butadiyne-1,4-diyl)bis-, dimethyl ester; CHEMBL1972815; methyl 2-[4-(2-methoxycarbonylphenyl)buta-1,3-diynyl]benzoate; ZINC1638821; NSC-663593; NCI60_021825; 2,2'-(1,3-Butadiyne-1,4-diyl)bis(benzoic acid methyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663593	.	.	.	.	318.3	C20H14O4	52.6	540	4	24	0	4	7	"InChI=1S/C20H14O4/c1-23-19(21)17-13-7-5-11-15(17)9-3-4-10-16-12-6-8-14-18(16)20(22)24-2/h5-8,11-14H,1-2H3"	COC(=O)C1=CC=CC=C1C#CC#CC2=CC=CC=C2C(=O)OC	IUYJHPJPPKTVJZ-UHFFFAOYSA-N
DG55177	3-Allyl-1-benzyl-3-methyl-2-piperidinone	379189	NSC663597; 3-Allyl-1-benzyl-3-methyl-2-piperidinone; CHEMBL1966118; NSC-663597; NCI60_021829; 3-allyl-1-benzyl-3-methyl-piperidin-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663597	.	.	.	.	243.34	C16H21NO	20.3	306	3.1	18	0	1	4	"InChI=1S/C16H21NO/c1-3-10-16(2)11-7-12-17(15(16)18)13-14-8-5-4-6-9-14/h3-6,8-9H,1,7,10-13H2,2H3"	CC1(CCCN(C1=O)CC2=CC=CC=C2)CC=C	QNFIOOXROPFZMQ-UHFFFAOYSA-N
DG55178	"2,3-Dihydro-1,4-benzodioxin-2-ylmethyl thiocyanate"	379213	"NSC663627; 51837-75-3; 2,3-Dihydro-1,4-benzodioxin-2-ylmethyl thiocyanate; 2,3-dihydro-1,4-benzodioxin-3-ylmethyl thiocyanate; Thiocyanic acid, 1,4-benzodioxan-2-methyl ester; Thiocyanic acid, (1,4-benzodioxan-2-yl)methyl ester; CHEMBL1995009; DTXSID90966166; NSC-663627; NCI60_021845; (2,3-Dihydro-1,4-benzodioxin-2-yl)methyl thiocyanate; 2-(Thiocyanatomethyl)-2,3-dihydrobenzo[b][1,4]dioxine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663627	.	.	.	.	207.25	C10H9NO2S	67.6	238	2.4	14	0	4	2	"InChI=1S/C10H9NO2S/c11-7-14-6-8-5-12-9-3-1-2-4-10(9)13-8/h1-4,8H,5-6H2"	C1C(OC2=CC=CC=C2O1)CSC#N	NIUTUCCPFPTZNP-UHFFFAOYSA-N
DG55179	1-[8-(3-Formylindol-1-yl)octyl]indole-3-carbaldehyde	379249	"NSC663663; 1H-Indole-3-carboxaldehyde, 1,1'-(1,8-octanediyl)bis-; 1-[8-(3-formylindol-1-yl)octyl]indole-3-carbaldehyde; CHEMBL1993958; SCHEMBL14519061; ZINC1638879; NSC-663663; NCI60_021880"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663663	.	.	.	.	400.5	C26H28N2O2	44	505	5.1	30	0	2	11	"InChI=1S/C26H28N2O2/c29-19-21-17-27(25-13-7-5-11-23(21)25)15-9-3-1-2-4-10-16-28-18-22(20-30)24-12-6-8-14-26(24)28/h5-8,11-14,17-20H,1-4,9-10,15-16H2"	C1=CC=C2C(=C1)C(=CN2CCCCCCCCN3C=C(C4=CC=CC=C43)C=O)C=O	AWXYINCQJYFKDG-UHFFFAOYSA-N
DG55180	"5H-Benzo[a]naphtho[2,3-c]carbazole-6,9,10,15-tetrone"	379252	"NSC663666; 5H-Benzo[a]naphtho[2,3-c]carbazole-6,9,10,15-tetrone; CHEMBL1967552; NSC-663666; NCI60_021883"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663666	.	.	.	.	377.3	C24H11NO4	84.1	831	3.9	29	1	4	0	"InChI=1S/C24H11NO4/c26-15-9-10-16(27)19-18(15)21-20(17-13-7-3-4-8-14(13)25-22(17)19)23(28)11-5-1-2-6-12(11)24(21)29/h1-10,25H"	C1=CC=C2C(=C1)C(=O)C3=C4C(=O)C=CC(=O)C4=C5C(=C3C2=O)C6=CC=CC=C6N5	MEONYDMMNHPUSF-UHFFFAOYSA-N
DG55181	"5-Amino-2-oxo-1-phenyl-2,3-dihydro-1H-imidazole-4-carbonitrile"	379268	"NSC663774; 5-Amino-2-oxo-1-phenyl-2,3-dihydro-1H-imidazole-4-carbonitrile; 4-amino-2-oxo-3-phenyl-1H-imidazole-5-carbonitrile; CHEMBL1986737; ZINC1638897; NSC-663774; NCI60_021889; 1-Phenyl-2-hydroxy-5-amino-1H-imidazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663774	.	.	.	.	200.2	C10H8N4O	82.2	359	0.9	15	2	3	1	"InChI=1S/C10H8N4O/c11-6-8-9(12)14(10(15)13-8)7-4-2-1-3-5-7/h1-5H,12H2,(H,13,15)"	C1=CC=C(C=C1)N2C(=C(NC2=O)C#N)N	CXDMRPFOYQEPAN-UHFFFAOYSA-N
DG55182	"5-Amino-1-(4-chlorophenyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbonitrile"	379271	"NSC663777; 5-Amino-1-(4-chlorophenyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbonitrile; CHEMBL1991810; 4-amino-3-(4-chlorophenyl)-2-oxo-1H-imidazole-5-carbonitrile; ZINC1638900; NSC-663777; NCI60_021892"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663777	.	.	.	.	234.64	C10H7ClN4O	82.2	389	1.5	16	2	3	1	"InChI=1S/C10H7ClN4O/c11-6-1-3-7(4-2-6)15-9(13)8(5-12)14-10(15)16/h1-4H,13H2,(H,14,16)"	C1=CC(=CC=C1N2C(=C(NC2=O)C#N)N)Cl	GLSYKEBJFKRXOC-UHFFFAOYSA-N
DG55183	"5-Amino-1-(1-naphthyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbonitrile"	379272	"NSC663778; 5-Amino-1-(1-naphthyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbonitrile; CHEMBL1971450; NSC-663778; NCI60_021893; 4-amino-3-(1-naphthyl)-2-oxo-1H-imidazole-5-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663778	.	.	.	.	250.25	C14H10N4O	82.2	475	2.1	19	2	3	1	"InChI=1S/C14H10N4O/c15-8-11-13(16)18(14(19)17-11)12-7-3-5-9-4-1-2-6-10(9)12/h1-7H,16H2,(H,17,19)"	C1=CC=C2C(=C1)C=CC=C2N3C(=C(NC3=O)C#N)N	ZVXSIDBMYNAEMC-UHFFFAOYSA-N
DG55184	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] butanoate"	379284	NSC663790; CHEMBL1993686; NSC-663790; NCI60_021905	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663790	.	.	.	.	316.28	C13H17FN2O6	105	509	-0.3	22	2	7	6	"InChI=1S/C13H17FN2O6/c1-2-3-11(18)22-8-4-10(21-9(8)6-17)16-5-7(14)12(19)15-13(16)20/h5,8-10,17H,2-4,6H2,1H3,(H,15,19,20)"	CCCC(=O)OC1CC(OC1CO)N2C=C(C(=O)NC2=O)F	GRNXEUAKNOKWFO-UHFFFAOYSA-N
DG55185	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl butanoate"	379285	NSC663791; CHEMBL1968456; NSC-663791; NCI60_021906	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663791	.	.	.	.	316.28	C13H17FN2O6	105	509	-0.3	22	2	7	6	"InChI=1S/C13H17FN2O6/c1-2-3-11(18)21-6-9-8(17)4-10(22-9)16-5-7(14)12(19)15-13(16)20/h5,8-10,17H,2-4,6H2,1H3,(H,15,19,20)"	CCCC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O	HJDPVVLZVFWYGR-UHFFFAOYSA-N
DG55186	"[3-Butanoyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butanoate"	379286	NSC663792; CHEMBL1976515; NSC-663792; NCI60_021907	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663792	.	.	.	.	386.4	C17H23FN2O7	111	637	1.1	27	1	8	10	"InChI=1S/C17H23FN2O7/c1-3-5-14(21)25-9-12-11(27-15(22)6-4-2)7-13(26-12)20-8-10(18)16(23)19-17(20)24/h8,11-13H,3-7,9H2,1-2H3,(H,19,23,24)"	CCCC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)OC(=O)CCC	IKOZLHKUJQHYFR-UHFFFAOYSA-N
DG55187	"2,2,4-Trimethyl-2H-imidazole 1-oxide"	379378	"TMIO; 2,2,4-Trimethyl-2H-imidazole 1-oxide; 136440-22-7; 2,2,4-trimethyl-1-oxidoimidazol-1-ium; NSC663921; 2,2,4-Trimethyl-2h-imidazole-1-oxide; SCHEMBL6046894; CHEMBL1978952; DTXSID00327527; ZINC1639009; AKOS025294409; NSC-663921; NCI60_021943; 2,2,4-trimethyl-1-oxido-imidazol-1-ium; FT-0691310; 2,2,4-Trimethyl-2H-1.lambda.~5~-imidazol-1-ol; J-006846; 2,2,4-Trimethyl-2H-imidazole 1-oxide, for ESR-spectroscopy, >=98.0%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663921	.	.	.	.	126.16	C6H10N2O	41.1	191	-0.5	9	0	2	0	"InChI=1S/C6H10N2O/c1-5-4-8(9)6(2,3)7-5/h4H,1-3H3"	CC1=NC([N+](=C1)[O-])(C)C	CNIGTNPXWSLRPH-UHFFFAOYSA-N
DG55188	"3-Hydroxy-2,2,3a-trimethyl-1-oxido-4,5,6,7-tetrahydrobenzimidazol-1-ium"	379383	"NSC663925; CHEMBL1968679; 3-hydroxy-2,2,3a-trimethyl-1-oxido-4,5,6,7-tetrahydrobenzimidazol-1-ium; NSC-663925; NCI60_021947; 1-Hydroxy-2,2,5-trimethyl-4,5-tetramethylene-3-imidazoline 3-oxide; 2,2,3a-Trimethyl-2,3a,4,5,6,7-hexahydro-3H-benzimidazole-1,3-diol; 29522-49-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663925	.	.	.	.	198.26	C10H18N2O2	52.2	299	0.4	14	1	3	0	"InChI=1S/C10H18N2O2/c1-9(2)11(13)8-6-4-5-7-10(8,3)12(9)14/h14H,4-7H2,1-3H3"	CC1(N(C2(CCCCC2=[N+]1[O-])C)O)C	YESLSCWAYAUZSL-UHFFFAOYSA-N
DG55189	"[1,1'-Binaphthalene]-4,4'-diol, 3,3'-di(1-piperidinyl)-"	379384	"NSC663926; [1,1'-Binaphthalene]-4,4'-diol, 3,3'-di(1-piperidinyl)-; CHEMBL1969816; ZINC1639014; NSC-663926; NCI60_021948; 4-[4-hydroxy-3-(1-piperidyl)-1-naphthyl]-2-(1-piperidyl)naphthalen-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663926	.	.	.	.	452.6	C30H32N2O2	46.9	604	7.3	34	2	4	3	"InChI=1S/C30H32N2O2/c33-29-23-13-5-3-11-21(23)25(19-27(29)31-15-7-1-8-16-31)26-20-28(32-17-9-2-10-18-32)30(34)24-14-6-4-12-22(24)26/h3-6,11-14,19-20,33-34H,1-2,7-10,15-18H2"	C1CCN(CC1)C2=C(C3=CC=CC=C3C(=C2)C4=CC(=C(C5=CC=CC=C54)O)N6CCCCC6)O	PBWRKFLYAGYRHA-UHFFFAOYSA-N
DG55190	"4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan"	379408	"NSC663950; 4,4-dinitro-6,7-dihydro-5H-2,1,3-benzoxadiazole; 4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan; Oprea1_205044; Oprea1_210625; C6H6N4O5; CHEMBL1968708; STK838955; ZINC19228250; AKOS000678592; MCULE-8075874227; NSC-663950; 300359-23-3; NCI60_021972; 4,4-Dinitro-4,5,6,7-tetrahydro-2,1,3-benzoxadiazole; 4,4-Dinitro-4,5,6,7-tetrahydro-2,1,3-benzoxadiazole #; 4,4-Bis(hydroxy(oxido)amino)-4,5,6,7-tetrahydro-2,1,3-benzoxadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663950	.	.	.	.	214.14	C6H6N4O5	131	283	0.3	15	0	7	0	InChI=1S/C6H6N4O5/c11-9(12)6(10(13)14)3-1-2-4-5(6)8-15-7-4/h1-3H2	C1CC2=NON=C2C(C1)([N+](=O)[O-])[N+](=O)[O-]	CMWAVDQYGJPEML-UHFFFAOYSA-N
DG55191	"5-((3,5-Dimethyl-4-isoxazolyl)diazenyl)-2,1,3-benzoxadiazol-4-amine"	379412	"NSC663954; 5-((3,5-Dimethyl-4-isoxazolyl)diazenyl)-2,1,3-benzoxadiazol-4-amine; 5-[(3,5-dimethyl-1,2-oxazol-4-yl)diazenyl]-2,1,3-benzoxadiazol-4-amine; 166766-10-5; 5-[(3,5-dimethyl-4-isoxazolyl)diazenyl]-2,1,3-benzoxadiazol-4-ylamine; 5-((3,5-Dimethyl-4-isoxazolyl)diazenyl)-2,1,3-benzoxadiazol-4-ylamine; CHEMBL1974028; STK527948; ZINC17248987; AKOS005461102; ZINC252628533; MCULE-8438108726; NSC-663954; NCI60_021976; AG-690/11351323; 5-[(E)-(3,5-dimethylisoxazol-4-yl)azo]-2,1,3-benzoxadiazol-4-amine; 5-[(E)-(3,5-dimethyl-1,2-oxazol-4-yl)diazenyl]-2,1,3-benzoxadiazol-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663954	.	.	.	.	258.24	C11H10N6O2	116	354	1.5	19	1	8	2	"InChI=1S/C11H10N6O2/c1-5-10(6(2)18-15-5)14-13-7-3-4-8-11(9(7)12)17-19-16-8/h3-4H,12H2,1-2H3"	CC1=C(C(=NO1)C)N=NC2=C(C3=NON=C3C=C2)N	SSIUUOSFZVPBAE-UHFFFAOYSA-N
DG55192	"4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide"	379419	"NSC663961; Oprea1_153037; CHEMBL1981465; 4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide; STK834836; 4,4-dimethoxy-1-oxido-6,7-dihydro-5H-2,1,3-benzoxadiazol-1-ium-5-ol; AKOS005623968; NSC-663961; NCI60_021983; 4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1.lambda.~5~,3-benzoxadiazole-1,5-diol; 330982-47-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663961	.	.	.	.	216.19	C8H12N2O5	90.2	235	-0.7	15	1	6	2	"InChI=1S/C8H12N2O5/c1-13-8(14-2)6(11)4-3-5-7(8)9-15-10(5)12/h6,11H,3-4H2,1-2H3"	COC1(C(CCC2=[N+](ON=C21)[O-])O)OC	YCKQVGQMORSQNB-UHFFFAOYSA-N
DG55193	"Spiro[2,1,3-benzoxadiazole-5(4H),2'-[1,3]dioxolane], 6,7-dihydro-7,7-dinitro-, 3-oxide"	379421	"NSC663963; CHEMBL1987841; ZINC19321573; NSC-663963; Spiro[2,1,3-benzoxadiazole-5(4H),2'-[1,3]dioxolane], 6,7-dihydro-7,7-dinitro-, 3-oxide; NCI60_021985; 4',4'-dinitro-1'-oxido-spiro[1,3-dioxolane-2,6'-5,7-dihydro-2,1,3-benzoxadiazol-1-ium]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663963	.	.	.	.	288.17	C8H8N4O8	162	427	-0.4	20	0	9	0	"InChI=1S/C8H8N4O8/c13-10-5-3-7(18-1-2-19-7)4-8(11(14)15,12(16)17)6(5)9-20-10/h1-4H2"	C1COC2(O1)CC3=[N+](ON=C3C(C2)([N+](=O)[O-])[N+](=O)[O-])[O-]	XHJBNVUHOJYUHQ-UHFFFAOYSA-N
DG55194	"4,5-Dihydro[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole 1-oxide"	379423	"NSC663965; CHEMBL2006234; ZINC1639035; 4,5-Dihydro[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole 1-oxide; STL321271; AKOS000676223; NSC-663965; NCI60_021987; 4,5-dihydrobenzo[1,2-c:3,4-c']bis[1,2,5]oxadiazole 1-oxide; 1-oxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-g][2,1,3]benzoxadiazol-1-ium; 142328-09-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663965	.	.	.	.	180.12	C6H4N4O3	90.4	216	-0.1	13	0	6	0	InChI=1S/C6H4N4O3/c11-10-6-4(8-13-10)2-1-3-5(6)9-12-7-3/h1-2H2	C1CC2=NO[N+](=C2C3=NON=C31)[O-]	RXNVQNJDGIDUQO-UHFFFAOYSA-N
DG55195	"3-Oxido-7-phenyl-triazolo[4,5-g][2,1,3]benzoxadiazol-3-ium"	379424	"NSC663966; CHEMBL1994780; ZINC1639036; {7H-[1,2,3]Triazolo[4,5-e]-2,1-3-benzoxadiazole,} 7-phenyl- 3-oxide; NSC-663966; NCI60_021988; 3-oxido-7-phenyl-triazolo[4,5-g][2,1,3]benzoxadiazol-3-ium; 7H-[1,3]Triazolo[4,5-e]-2,1-3-benzoxadiazole, 7-phenyl- 3-oxide; 7-Phenyl-3a,7-dihydro-3H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663966	.	.	.	.	253.22	C12H7N5O2	82.2	338	2.8	19	0	5	1	InChI=1S/C12H7N5O2/c18-17-10-7-6-9-11(12(10)15-19-17)14-16(13-9)8-4-2-1-3-5-8/h1-7H	C1=CC=C(C=C1)N2N=C3C=CC4=[N+](ON=C4C3=N2)[O-]	OYDOZGXSGKAQOH-UHFFFAOYSA-N
DG55196	"Dodecanoic acid, 4-dodecanamidomethyl-2-methoxyphenyl ester"	379433	"Lauric acid, (4-lauramidomethyl-2-methoxy-1-phenyl)ester; 101831-70-3; NSC663979; Dodecanoic acid, 4-dodecanamidomethyl-2-methoxyphenyl ester; 4-((Dodecanoylamino)methyl)-2-methoxyphenyl laurate; CHEMBL1985114; DTXSID80144214; ZINC73332954; NSC-663979; NCI60_021999; [4-[(dodecanoylamino)methyl]-2-methoxy-phenyl] dodecanoate; Dodecanoic acid 4-(dodecanoylaminomethyl)-2-methoxyphenyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663979	.	.	.	.	517.799	C32H55NO4	64.599	553	11.1	37	1	4	25	"InChI=1S/C32H55NO4/c1-4-6-8-10-12-14-16-18-20-22-31(34)33-27-28-24-25-29(30(26-28)36-3)37-32(35)23-21-19-17-15-13-11-9-7-5-2/h24-26H,4-23,27H2,1-3H3,(H,33,34)"	CCCCCCCCCCCC(=O)NCC1=CC(=C(C=C1)OC(=O)CCCCCCCCCCC)OC	LXMZJNLZSXKQCB-UHFFFAOYSA-N
DG55197	11-((4-Hydroxy-3-methoxybenzyl)amino)-11-oxoundecyl thiocyanate	379443	NSC663991; 11-((4-Hydroxy-3-methoxybenzyl)amino)-11-oxoundecyl thiocyanate; CHEMBL1977302; ZINC5941379; NSC-663991; NCI60_022009; [11-[(4-hydroxy-3-methoxy-phenyl)methylamino]-11-oxo-undecyl] thiocyanate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663991	.	.	.	.	378.5	C20H30N2O3S	108	425	5.1	26	2	5	14	"InChI=1S/C20H30N2O3S/c1-25-19-14-17(11-12-18(19)23)15-22-20(24)10-8-6-4-2-3-5-7-9-13-26-16-21/h11-12,14,23H,2-10,13,15H2,1H3,(H,22,24)"	COC1=C(C=CC(=C1)CNC(=O)CCCCCCCCCCSC#N)O	GWPNSFLGYARZKB-UHFFFAOYSA-N
DG55198	"2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)-3,4-dihydro-1(2H)-naphthalenone"	379444	"NSC663992; 2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)-3,4-dihydro-1(2H)-naphthalenone; CHEMBL1978251; NSC-663992; NCI60_022010; 2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]tetralin-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663992	.	.	.	.	312.21	C13H10F6O2	37.3	400	4	21	1	8	1	"InChI=1S/C13H10F6O2/c14-12(15,16)11(21,13(17,18)19)9-6-5-7-3-1-2-4-8(7)10(9)20/h1-4,9,21H,5-6H2"	C1CC2=CC=CC=C2C(=O)C1C(C(F)(F)F)(C(F)(F)F)O	SUPUNQIGTWFZBO-UHFFFAOYSA-N
DG55199	"1,1,1,3,3,3-Hexafluoro-2-[[2-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-4-pyridyl]methyl]propan-2-ol"	379450	"NSC663999; CHEMBL1974518; ZINC73258675; NSC-663999; NCI60_022017; 1,1,1,3,3,3-hexafluoro-2-[[2-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-4-pyridyl]methyl]propan-2-ol; 2,4-Pyridinediethanol, 6-methyl-.alpha.,.alpha.,.alpha.',.alpha.'-tetrakis(trifluoromethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663999	.	.	.	.	453.22	C14H11F12NO2	53.4	537	4.7	29	2	15	4	"InChI=1S/C14H11F12NO2/c1-6-2-7(4-9(28,11(15,16)17)12(18,19)20)3-8(27-6)5-10(29,13(21,22)23)14(24,25)26/h2-3,28-29H,4-5H2,1H3"	CC1=CC(=CC(=N1)CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O	UWHDUVSLDCSYEU-UHFFFAOYSA-N
DG55200	"Methyl (4-(5,6,7,8-tetrahydro-1-naphthalenyl)-1-piperazinyl)acetate"	379451	"NSC664000; CHEMBL1977126; Methyl (4-(5,6,7,8-tetrahydro-1-naphthalenyl)-1-piperazinyl)acetate; ZINC73241910; NSC-664000; NCI60_022018; methyl 2-(4-tetralin-5-ylpiperazin-1-yl)acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664000	.	.	.	.	288.4	C17H24N2O2	32.8	353	3.2	21	0	4	4	"InChI=1S/C17H24N2O2/c1-21-17(20)13-18-9-11-19(12-10-18)16-8-4-6-14-5-2-3-7-15(14)16/h4,6,8H,2-3,5,7,9-13H2,1H3"	COC(=O)CN1CCN(CC1)C2=CC=CC3=C2CCCC3	GCAWKPPICTZOIY-UHFFFAOYSA-N
DG55201	"Spiro[2H-pyrrole-2,4'(1'H)-quinoline]-2',3(3'H,4H)-dione, 1'-acetyl-5-methyl-"	379464	"NSC664017; CHEMBL1991039; NSC-664017; Spiro[2H-pyrrole-2,4'(1'H)-quinoline]-2',3(3'H,4H)-dione, 1'-acetyl-5-methyl-; NCI60_022030; 1'-acetyl-2-methyl-spiro[3H-pyrrole-5,4'-3H-quinoline]-2',4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664017	.	.	.	.	270.28	C15H14N2O3	66.8	525	0.2	20	0	4	0	"InChI=1S/C15H14N2O3/c1-9-7-13(19)15(16-9)8-14(20)17(10(2)18)12-6-4-3-5-11(12)15/h3-6H,7-8H2,1-2H3"	CC1=NC2(CC(=O)N(C3=CC=CC=C32)C(=O)C)C(=O)C1	VABOBLRKHNFOCR-UHFFFAOYSA-N
DG55202	"6,12-Dibenzyl-5,13-dioxo-3,9,15-trioxa-6,12-diazaheptadecane-1,17-dioic acid"	379471	"NSC664025; 6,12-Dibenzyl-5,13-dioxo-3,9,15-trioxa-6,12-diazaheptadecane-1,17-dioic acid; CHEMBL2005742; ZINC5941406; NSC-664025; NCI60_022037; 2-[2-[benzyl-[2-[2-[benzyl-[2-(carboxymethyloxy)acetyl]amino]ethoxy]ethyl]amino]-2-oxo-ethoxy]acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664025	.	.	.	.	516.5	C26H32N2O9	143	648	1	37	2	9	18	"InChI=1S/C26H32N2O9/c29-23(17-36-19-25(31)32)27(15-21-7-3-1-4-8-21)11-13-35-14-12-28(16-22-9-5-2-6-10-22)24(30)18-37-20-26(33)34/h1-10H,11-20H2,(H,31,32)(H,33,34)"	C1=CC=C(C=C1)CN(CCOCCN(CC2=CC=CC=C2)C(=O)COCC(=O)O)C(=O)COCC(=O)O	GYRKUHYKCILIAT-UHFFFAOYSA-N
DG55203	Bis(2-chloroethyl)-N-methyl-N[(8-nitro-1-naphthyl)-methyl]ammonium chloride	379487	NSC664150; CHEMBL12135; SCHEMBL8434159; NSC-664150; Bis(2-chloroethyl)-N-methyl-N[(8-nitro-1-naphthyl)-methyl]ammonium chloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664150	.	.	.	.	377.7	C16H19Cl3N2O2	45.8	370	.	23	0	3	6	"InChI=1S/C16H19Cl2N2O2.ClH/c1-20(10-8-17,11-9-18)12-14-6-2-4-13-5-3-7-15(16(13)14)19(21)22;/h2-7H,8-12H2,1H3;1H/q+1;/p-1"	C[N+](CCCl)(CCCl)CC1=CC=CC2=C1C(=CC=C2)[N+](=O)[O-].[Cl-]	KFVWZSYPJQKGDR-UHFFFAOYSA-M
DG55204	6-Methoxy-2-(3-methoxy-phenyl)-1H-quinolin-4-one	379510	CHEMBL14412; NSC664167; ZINC5503294; BDBM50041100; NSC-664167; NCI60_022068; 6-Methoxy-2-(3-methoxy-phenyl)-1H-quinolin-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664167	.	.	.	.	281.3	C17H15NO3	47.6	420	3.1	21	1	4	3	"InChI=1S/C17H15NO3/c1-20-12-5-3-4-11(8-12)16-10-17(19)14-9-13(21-2)6-7-15(14)18-16/h3-10H,1-2H3,(H,18,19)"	COC1=CC2=C(C=C1)NC(=CC2=O)C3=CC(=CC=C3)OC	FVTUSWUAAUJBRP-UHFFFAOYSA-N
DG55205	2-(3-Dimethylamino-phenyl)-6-methoxy-1H-quinolin-4-one	379511	CHEMBL14290; NSC664168; 2-(3-Dimethylamino-phenyl)-6-methoxy-1H-quinolin-4-one; BDBM50041121; NSC-664168; NCI60_022069	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664168	.	.	.	.	294.3	C18H18N2O2	41.6	446	3.3	22	1	4	3	"InChI=1S/C18H18N2O2/c1-20(2)13-6-4-5-12(9-13)17-11-18(21)15-10-14(22-3)7-8-16(15)19-17/h4-11H,1-3H3,(H,19,21)"	CN(C)C1=CC=CC(=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)OC	UOIMUFPOYNIRLB-UHFFFAOYSA-N
DG55206	2-(3-Methoxy-phenyl)-6-morpholin-4-yl-1H-quinolin-4-one	379512	CHEMBL50826; NSC664169; 2-(3-Methoxy-phenyl)-6-morpholin-4-yl-1H-quinolin-4-one; BDBM50037463; NSC-664169; NCI60_022070; 6-Morpholino-2-(3-methoxyphenyl)quinolin-4(1H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664169	.	.	.	.	336.4	C20H20N2O3	50.8	515	2.9	25	1	5	3	"InChI=1S/C20H20N2O3/c1-24-16-4-2-3-14(11-16)19-13-20(23)17-12-15(5-6-18(17)21-19)22-7-9-25-10-8-22/h2-6,11-13H,7-10H2,1H3,(H,21,23)"	COC1=CC=CC(=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)N4CCOCC4	BSCMVEMZGHZNBZ-UHFFFAOYSA-N
DG55207	6-(4-Methylpiperazin-1-yl)-2-(3-methoxyphenyl)quinolin-4(1H)-one	379513	CHEMBL114784; NSC664170; BDBM50470027; NSC-664170; NCI60_022071; 6-(4-Methylpiperazin-1-yl)-2-(3-methoxyphenyl)quinolin-4(1H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664170	.	.	.	.	349.4	C21H23N3O2	44.8	541	3.1	26	1	5	3	"InChI=1S/C21H23N3O2/c1-23-8-10-24(11-9-23)16-6-7-19-18(13-16)21(25)14-20(22-19)15-4-3-5-17(12-15)26-2/h3-7,12-14H,8-11H2,1-2H3,(H,22,25)"	CN1CCN(CC1)C2=CC3=C(C=C2)NC(=CC3=O)C4=CC(=CC=C4)OC	JTPGUKWWWLQMOZ-UHFFFAOYSA-N
DG55208	2-(3-Methoxy-phenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one	379514	"NSC-664171; CHEMBL15778; NSC664171; SCHEMBL7615804; 4(1H)-Quinolinone, 6-(1-pyrrolidinyl)-2-(3- methoxyphenyl)-; ZINC5503291; BDBM50037450; NCI60_022072; 2-(3-methoxyphenyl)-6-pyrrolinylquinolin-4-one; 2-(3-Methoxy-phenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one; 2-(3-Methoxy-phenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one (PQ-7)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664171	.	.	.	.	320.4	C20H20N2O2	41.6	498	3.8	24	1	4	3	"InChI=1S/C20H20N2O2/c1-24-16-6-4-5-14(11-16)19-13-20(23)17-12-15(7-8-18(17)21-19)22-9-2-3-10-22/h4-8,11-13H,2-3,9-10H2,1H3,(H,21,23)"	COC1=CC=CC(=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)N4CCCC4	GVMDHCGKOFHSHB-UHFFFAOYSA-N
DG55209	6-(Dimethylamino)-2-(3-methoxyphenyl)quinolin-4(1h)-one	379515	"CHEMBL301589; NSC664173; NSC664172; NCIMech_000431; SCHEMBL8980334; 6-(dimethylamino)-2-(3-methoxyphenyl)quinolin-4(1h)-one; 4-(1H)Quinolinone, 2-(3-methoxyphenyl)-6-(dimethylamino)-; ZINC5502600; BDBM50037448; CCG-35691; NSC-664172; NSC-664173; NCI60_022073; NCI60_022074; 6-Dimethylamino-2-(3-methoxy-phenyl)-1H-quinolin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664173	.	.	.	.	294.3	C18H18N2O2	41.6	446	3.3	22	1	4	3	"InChI=1S/C18H18N2O2/c1-20(2)13-7-8-16-15(10-13)18(21)11-17(19-16)12-5-4-6-14(9-12)22-3/h4-11H,1-3H3,(H,19,21)"	CN(C)C1=CC2=C(C=C1)NC(=CC2=O)C3=CC(=CC=C3)OC	QWTLGBXHTGTPMU-UHFFFAOYSA-N
DG55210	"2-Naphthylamine, 5,6,7,8-tetrahydro-N-(2-oxazolin-2-yl)-"	379519	"NSC664177; MLS002702145; 2-Naphthylamine, 5,6,7,8-tetrahydro-N-(2-oxazolin-2-yl)-; 102280-55-7; 2-(5,6,7,8-Tetrahydro-2-naphthylamino)-2-oxazoline; 2-Oxazoline, 2-(5,6,7,8-tetrahydro-2-naphthylamino)-; 5,6,7,8-Tetrahydro-N-(2-oxazolin-2-yl)-2-naphthylamine; Oxazole, 4,5-dihydro-2-(5,6,7,8-tetrahydro-2-naphthylamino)-; CHEMBL1882561; DTXSID70144864; ZINC1639136; NSC-664177; NCI60_022077; SMR001565710; N-tetralin-6-yl-4,5-dihydrooxazol-2-amine; 5,6,7,8-Tetrahydro-N-(2-oxazolin-2-yl)-2-naphthalenamine; N-(5,6,7,8-Tetrahydro-2-naphthalenyl)-4,5-dihydro-1,3-oxazol-2-amine; N-(4,5-Dihydro-1,3-oxazol-2-yl)-N-(5,6,7,8-tetrahydro-2-naphthalenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664177	.	.	.	.	216.28	C13H16N2O	33.6	277	2.6	16	1	2	2	"InChI=1S/C13H16N2O/c1-2-4-11-9-12(6-5-10(11)3-1)15-13-14-7-8-16-13/h5-6,9H,1-4,7-8H2,(H,14,15)"	C1CCC2=C(C1)C=CC(=C2)NC3=NCCO3	OTBQDOKDJFEZPM-UHFFFAOYSA-N
DG55211	"2,5-Bis(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)cyclopentanone"	379524	"NSC664181; 101932-18-7; 2,5-Bis(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)cyclopentanone; 2,5-bis[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]cyclopentanone; 2,5-Bis(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)cyclopentanone; Cyclopentanone, 2,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-; CHEMBL1980836; DTXSID60906872; 2,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentan-1-one; NSC-664181; NCI60_022081"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664181	.	.	.	.	416.16	C11H8F12O3	57.5	479	3.9	26	2	15	2	"InChI=1S/C11H8F12O3/c12-8(13,14)6(25,9(15,16)17)3-1-2-4(5(3)24)7(26,10(18,19)20)11(21,22)23/h3-4,25-26H,1-2H2"	C1CC(C(=O)C1C(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O	NVMISAZNGOTJHN-UHFFFAOYSA-N
DG55212	"N-Cyclohexylidene-3-methyl-2,3-dihydro-1,3-oxazol-2-amine"	379525	"NSC664185; CHEMBL1999168; N-Cyclohexylidene-3-methyl-2,3-dihydro-1,3-oxazol-2-amine; NSC-664185; NCI60_022084; N-(3-methyl-2H-oxazol-2-yl)cyclohexanimine; N-Cyclohexylidene-N-(3-methyl-2,3-dihydro-1,3-oxazol-2-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664185	.	.	.	.	180.25	C10H16N2O	24.8	227	1.4	13	0	3	1	"InChI=1S/C10H16N2O/c1-12-7-8-13-10(12)11-9-5-3-2-4-6-9/h7-8,10H,2-6H2,1H3"	CN1C=COC1N=C2CCCCC2	SZZNRQNBINNIKB-UHFFFAOYSA-N
DG55213	Bis(2-(((cyclohexylamino)carbonyl)amino)ethyl) carbonate	379526	NSC664188; Bis(2-(((cyclohexylamino)carbonyl)amino)ethyl) carbonate; bis[2-(cyclohexylcarbamoylamino)ethyl] carbonate; CHEMBL2001773; ZINC5566741; NSC-664188; NCI60_022087	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664188	.	.	.	.	398.5	C19H34N4O5	118	449	2.4	28	4	5	10	"InChI=1S/C19H34N4O5/c24-17(22-15-7-3-1-4-8-15)20-11-13-27-19(26)28-14-12-21-18(25)23-16-9-5-2-6-10-16/h15-16H,1-14H2,(H2,20,22,24)(H2,21,23,25)"	C1CCC(CC1)NC(=O)NCCOC(=O)OCCNC(=O)NC2CCCCC2	LCNYZDYSPPMNQH-UHFFFAOYSA-N
DG55214	"4,4,4-Trifluoro-3-hydroxy-1-(3-(hydroxy(oxido)amino)-4-methylphenyl)-3-(trifluoromethyl)-1-butanone"	379529	"NSC664193; CHEMBL2004579; ZINC1639159; NSC-664193; NCI60_022092; 4,4,4-trifluoro-3-hydroxy-1-(4-methyl-3-nitro-phenyl)-3-(trifluoromethyl)butan-1-one; 4,4,4-Trifluoro-3-hydroxy-1-(3-(hydroxy(oxido)amino)-4-methylphenyl)-3-(trifluoromethyl)-1-butanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664193	.	.	.	.	345.19	C12H9F6NO4	83.1	456	3.2	23	1	10	3	"InChI=1S/C12H9F6NO4/c1-6-2-3-7(4-8(6)19(22)23)9(20)5-10(21,11(13,14)15)12(16,17)18/h2-4,21H,5H2,1H3"	CC1=C(C=C(C=C1)C(=O)CC(C(F)(F)F)(C(F)(F)F)O)[N+](=O)[O-]	MLXSNTXMNHRXLH-UHFFFAOYSA-N
DG55215	1-Methyl-3-(methylsulfinyl)-2-(methylthio)-1H-indole	379533	NSC664206; 1-Methyl-3-(methylsulfinyl)-2-(methylthio)-1H-indole; CHEMBL1970277; NSC-664206; NCI60_022095; 1-methyl-2-methylsulfanyl-3-methylsulfinyl-indole; Methyl 1-methyl-2-(methylthio)-1H-indol-3-yl sulfoxide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664206	.	.	.	.	239.4	C11H13NOS2	66.5	259	2	15	0	3	2	"InChI=1S/C11H13NOS2/c1-12-9-7-5-4-6-8(9)10(15(3)13)11(12)14-2/h4-7H,1-3H3"	CN1C2=CC=CC=C2C(=C1SC)S(=O)C	HWEHHJSDALVSHI-UHFFFAOYSA-N
DG55216	Chlorotetrangulol	379538	"Chlorotetrangulol; NSC664213; 3-(Chloromethyl)-1,8-dihydroxybenzo[a]anthracene-7,12-dione; CHEMBL1996411; NSC-664213; NCI60_022098; 3-(chloromethyl)-1,8-dihydroxy-benzo[a]anthracene-7,12-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664213	.	.	.	.	338.7	C19H11ClO4	74.6	536	4.3	24	2	4	1	"InChI=1S/C19H11ClO4/c20-8-9-6-10-4-5-12-17(15(10)14(22)7-9)19(24)11-2-1-3-13(21)16(11)18(12)23/h1-7,21-22H,8H2"	C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C4=C(C=C(C=C4C=C3)CCl)O	QCKRRTWPKGTEKP-UHFFFAOYSA-N
DG55217	19-Hydroxy-8-O-methyltetrangulol	379539	"19-Hydroxy-8-O-methyltetrangulol; Hydroxymethoxytetrangulol; CHEBI:31062; 1-Hydroxy-3-(hydroxymethyl)-8-methoxybenzo[a]anthracene-7,12-dione; NSC664214; 1-hydroxy-3-(hydroxymethyl)-8-methoxytetraphene-7,12-dione; 147914-13-4; CHEMBL1965087; DTXSID20327529; NSC-664214; NCI60_022099; Q27114111; 1-hydroxy-3-(hydroxymethyl)-8-methoxy-benzo[a]anthracene-7,12-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664214	.	.	.	.	334.3	C20H14O5	83.8	546	2.8	25	2	5	2	"InChI=1S/C20H14O5/c1-25-15-4-2-3-12-17(15)19(23)13-6-5-11-7-10(9-21)8-14(22)16(11)18(13)20(12)24/h2-8,21-22H,9H2,1H3"	COC1=CC=CC2=C1C(=O)C3=C(C2=O)C4=C(C=C(C=C4C=C3)CO)O	IWDFTRSGZDSLDE-UHFFFAOYSA-N
DG55218	"3-(Chloromethyl)-1-hydroxy-8-methoxybenzo[a]anthracene-7,12-dione"	379540	"Chloro-methoxy-tetrangulol; NSC664215; 3-(Chloromethyl)-1-hydroxy-8-methoxybenzo[a]anthracene-7,12-dione; CHEMBL1977546; NSC-664215; NCI60_022100; 3-(chloromethyl)-1-hydroxy-8-methoxy-benzo[a]anthracene-7,12-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664215	.	.	.	.	352.8	C20H13ClO4	63.6	550	4.1	25	1	4	2	"InChI=1S/C20H13ClO4/c1-25-15-4-2-3-12-17(15)19(23)13-6-5-11-7-10(9-21)8-14(22)16(11)18(13)20(12)24/h2-8,22H,9H2,1H3"	COC1=CC=CC2=C1C(=O)C3=C(C2=O)C4=C(C=C(C=C4C=C3)CCl)O	AQHNYGYYHAXGLC-UHFFFAOYSA-N
DG55219	"4,4-Dimethoxy-1-(2-vinylphenyl)-2,5-cyclohexadien-1-ol"	379541	"NSC664217; 4,4-Dimethoxy-1-(2-vinylphenyl)-2,5-cyclohexadien-1-ol; CHEMBL1993085; ZINC5941526; NSC-664217; NCI60_022101; 4,4-dimethoxy-1-(2-vinylphenyl)cyclohexa-2,5-dien-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664217	.	.	.	.	258.31	C16H18O3	38.7	364	2.5	19	1	3	4	"InChI=1S/C16H18O3/c1-4-13-7-5-6-8-14(13)15(17)9-11-16(18-2,19-3)12-10-15/h4-12,17H,1H2,2-3H3"	COC1(C=CC(C=C1)(C2=CC=CC=C2C=C)O)OC	NLINCCBFKNTJKQ-UHFFFAOYSA-N
DG55220	"2-[4-[2-(diethylamino)ethoxy]phenyl]-5,6-dimethoxy-3H-isoindol-1-one"	379545	NSC664221; CHEMBL1979660; NSC-664221; NCI60_022105	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664221	.	.	.	.	384.5	C22H28N2O4	51.2	491	3.2	28	0	5	9	"InChI=1S/C22H28N2O4/c1-5-23(6-2)11-12-28-18-9-7-17(8-10-18)24-15-16-13-20(26-3)21(27-4)14-19(16)22(24)25/h7-10,13-14H,5-6,11-12,15H2,1-4H3"	CCN(CC)CCOC1=CC=C(C=C1)N2CC3=CC(=C(C=C3C2=O)OC)OC	XNYGJNRMGZPDPC-UHFFFAOYSA-N
DG55221	"2-(4-Hydroxyphenyl)-5,6-dimethoxyisoindole-1,3-dione"	379552	NSC664228; CHEMBL1992224; NSC-664228; NCI60_022112	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664228	.	.	.	.	299.28	C16H13NO5	76.1	416	2	22	1	5	3	"InChI=1S/C16H13NO5/c1-21-13-7-11-12(8-14(13)22-2)16(20)17(15(11)19)9-3-5-10(18)6-4-9/h3-8,18H,1-2H3"	COC1=C(C=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)O)OC	PHCDNFHIGYQWAV-UHFFFAOYSA-N
DG55222	"N, O-Diethoxyacetyl-3-demethyldeactylthiocolchicin"	379556	"NSC664231; CHEMBL1998467; ZINC5941533; NSC-664231; NCI60_022114; N, O-Diethoxyacetyl-3-demethyldeactylthiocolchicin"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664231	.	.	.	.	531.6	C27H33NO8S	135	929	2	37	1	9	12	"InChI=1S/C27H33NO8S/c1-6-34-14-23(30)28-19-10-8-16-12-21(36-24(31)15-35-7-2)26(32-3)27(33-4)25(16)17-9-11-22(37-5)20(29)13-18(17)19/h9,11-13,19H,6-8,10,14-15H2,1-5H3,(H,28,30)/t19-/m0/s1"	CCOCC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC(=O)COCC	NGSBHZFTKFWKBZ-IBGZPJMESA-N
DG55223	"N',N'-diethyl-N-(8-methoxy-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine;hydrochloride"	379559	"MLS002702147; NSC664238; NSC-664238; SMR001565712; CHEMBL1731329; 6-(3-Diethylaminopropylaminopropylamino)-8-methoxy-11-H-indole[3,2-C]quinoline dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664238	.	.	.	.	413	C23H29ClN4O	53.2	485	.	29	3	4	8	"InChI=1S/C23H28N4O.ClH/c1-4-27(5-2)14-8-13-24-23-21-18-15-16(28-3)11-12-20(18)25-22(21)17-9-6-7-10-19(17)26-23;/h6-7,9-12,15,25H,4-5,8,13-14H2,1-3H3,(H,24,26);1H"	CCN(CC)CCCNC1=NC2=CC=CC=C2C3=C1C4=C(N3)C=CC(=C4)OC.Cl	QXFGKCSFZSVDTK-UHFFFAOYSA-N
DG55224	"1,1,1,10,10,10-Hexafluoro-2,9-dihydroxy-2,9-bis(trifluoromethyl)-4,7-decanedione"	379574	"NSC664262; 1,1,1,10,10,10-Hexafluoro-2,9-dihydroxy-2,9-bis(trifluoromethyl)-4,7-decanedione; CHEMBL1975608; ZINC73257563; NSC-664262; 1,1,1,10,10,10-hexafluoro-2,9-dihydroxy-2,9-bis(trifluoromethyl)decane-4,7-dione; NCI60_022138"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664262	.	.	.	.	446.19	C12H10F12O4	74.6	503	2.3	28	2	16	7	"InChI=1S/C12H10F12O4/c13-9(14,15)7(27,10(16,17)18)3-5(25)1-2-6(26)4-8(28,11(19,20)21)12(22,23)24/h27-28H,1-4H2"	C(CC(=O)CC(C(F)(F)F)(C(F)(F)F)O)C(=O)CC(C(F)(F)F)(C(F)(F)F)O	NFXPASFVCZCJAG-UHFFFAOYSA-N
DG55225	"S-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl] ethanethioate"	379575	"NSC664264; CHEMBL1976651; NSC-664264; NCI60_022140; S-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl] ethanethioate; S-(1-(1,3-Benzodioxol-5-yl)-2-(hydroxy(oxido)amino)ethyl) ethanethioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664264	.	.	.	.	269.28	C11H11NO5S	107	332	1.8	18	0	6	4	"InChI=1S/C11H11NO5S/c1-7(13)18-11(5-12(14)15)8-2-3-9-10(4-8)17-6-16-9/h2-4,11H,5-6H2,1H3"	CC(=O)SC(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2	BQVOGCHEJCUTMP-UHFFFAOYSA-N
DG55226	"5-(1-Benzylsulfanyl-2-nitro-ethyl)-1,3-benzodioxole"	379577	"NSC664266; CHEMBL1969788; NSC-664266; NCI60_022142; 5-(1-benzylsulfanyl-2-nitro-ethyl)-1,3-benzodioxole; (2-(1,3-Benzodioxol-5-yl)-2-(benzylthio)ethyl)(hydroxy)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664266	.	.	.	.	317.4	C16H15NO4S	89.6	370	3.5	22	0	5	5	"InChI=1S/C16H15NO4S/c18-17(19)9-16(22-10-12-4-2-1-3-5-12)13-6-7-14-15(8-13)21-11-20-14/h1-8,16H,9-11H2"	C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])SCC3=CC=CC=C3	SEQGYDSVNJWFHM-UHFFFAOYSA-N
DG55227	"4-Methyl-4-(4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoyl)heptanedinitrile"	379582	"NSC664271; 4-Methyl-4-(4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoyl)heptanedinitrile; 4-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoyl]heptanedinitrile; CHEMBL1985262; NSC-664271; NCI60_022147"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664271	.	.	.	.	344.25	C13H14F6N2O2	84.9	500	1.7	23	1	10	7	"InChI=1S/C13H14F6N2O2/c1-10(4-2-6-20,5-3-7-21)9(22)8-11(23,12(14,15)16)13(17,18)19/h23H,2-5,8H2,1H3"	CC(CCC#N)(CCC#N)C(=O)CC(C(F)(F)F)(C(F)(F)F)O	MBHZNDOHESOXCU-UHFFFAOYSA-N
DG55228	"2-(1-Benzothien-4-yl)-4,5-dihydro-1,3-oxazole"	379587	"NSC664277; 2-(1-Benzothien-4-yl)-4,5-dihydro-1,3-oxazole; CHEMBL1967021; ZINC1639219; NSC-664277; NCI60_022152; 2-(benzothiophen-4-yl)-4,5-dihydrooxazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664277	.	.	.	.	203.26	C11H9NOS	49.8	254	2.5	14	0	3	1	"InChI=1S/C11H9NOS/c1-2-9(11-12-5-6-13-11)8-4-7-14-10(8)3-1/h1-4,7H,5-6H2"	C1COC(=N1)C2=C3C=CSC3=CC=C2	HDCSNPZUIUBFAK-UHFFFAOYSA-N
DG55229	"1-Anthramine, N-(2-oxazolin-2-yl)-"	379588	"1-Anthramine, N-(2-oxazolin-2-yl)-; NSC664279; 102583-92-6; 2-(1-Anthrylamino)-2-oxazoline; N-(2-Oxazolin-2-yl)-1-anthramine; N-(1-Anthryl)-4,5-dihydro-1,3-oxazol-2-amine; CHEMBL1989255; DTXSID60145300; NSC-664279; NCI60_022154; N-(1-anthryl)-4,5-dihydrooxazol-2-amine; N-(1-Anthryl)-N-(4,5-dihydro-1,3-oxazol-2-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664279	.	.	.	.	262.3	C17H14N2O	33.6	381	3.7	20	1	2	2	"InChI=1S/C17H14N2O/c1-2-5-13-11-15-14(10-12(13)4-1)6-3-7-16(15)19-17-18-8-9-20-17/h1-7,10-11H,8-9H2,(H,18,19)"	C1COC(=N1)NC2=CC=CC3=CC4=CC=CC=C4C=C32	DYWYQTOLSPOWGU-UHFFFAOYSA-N
DG55230	"N,6-Dimethyl-2-(methylthio)-N-phenyl-4-pyrimidinamine"	379591	"NSC664282; SCHEMBL9697628; CHEMBL1997704; N,6-Dimethyl-2-(methylthio)-N-phenyl-4-pyrimidinamine; ZINC1639226; NSC-664282; NCI60_022157; N,6-dimethyl-2-methylsulfanyl-N-phenyl-pyrimidin-4-amine; N-Methyl-N-(6-methyl-2-(methylthio)-4-pyrimidinyl)-N-phenylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664282	.	.	.	.	245.35	C13H15N3S	54.3	231	3.5	17	0	4	3	"InChI=1S/C13H15N3S/c1-10-9-12(15-13(14-10)17-3)16(2)11-7-5-4-6-8-11/h4-9H,1-3H3"	CC1=CC(=NC(=N1)SC)N(C)C2=CC=CC=C2	JXSLKLPKMIQFRT-UHFFFAOYSA-N
DG55231	"4,4,4-Trifluoro-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1,3-butanediol"	379596	"NSC664290; 4,4,4-Trifluoro-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1,3-butanediol; CHEMBL1991467; 4,4,4-trifluoro-1-(4-methoxyphenyl)-3-(trifluoromethyl)butane-1,3-diol; NSC-664290; NCI60_022165"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664290	.	.	.	.	318.21	C12H12F6O3	49.7	319	2.8	21	2	9	4	"InChI=1S/C12H12F6O3/c1-21-8-4-2-7(3-5-8)9(19)6-10(20,11(13,14)15)12(16,17)18/h2-5,9,19-20H,6H2,1H3"	COC1=CC=C(C=C1)C(CC(C(F)(F)F)(C(F)(F)F)O)O	AZJHEHMCDGFJGU-UHFFFAOYSA-N
DG55232	"2,2,2-Trifluoro-1-(2-quinolinylmethyl)-1-(trifluoromethyl)ethyl acetate"	379602	"NSC664303; 2,2,2-Trifluoro-1-(2-quinolinylmethyl)-1-(trifluoromethyl)ethyl acetate; CHEMBL1987163; ZINC13214552; NSC-664303; NCI60_022177; Quinoline-2-ethanol,.alpha.-bis(trifluoromethyl)-, acetate (ester); [2,2,2-trifluoro-1-(2-quinolylmethyl)-1-(trifluoromethyl)ethyl] acetate; Acetic acid,1,1-trifluoro-2-(trifluoromethyl)-3-(2-quinolinyl)-2-propyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664303	.	.	.	.	351.24	C15H11F6NO2	39.2	448	4.5	24	0	9	4	"InChI=1S/C15H11F6NO2/c1-9(23)24-13(14(16,17)18,15(19,20)21)8-11-7-6-10-4-2-3-5-12(10)22-11/h2-7H,8H2,1H3"	CC(=O)OC(CC1=NC2=CC=CC=C2C=C1)(C(F)(F)F)C(F)(F)F	BKFHAXQKLFFRNM-UHFFFAOYSA-N
DG55233	"5,6-Dimethyl-2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)-1,3-benzothiazole"	379609	"NSC664311; Neuro_000387; 5,6-Dimethyl-2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)-1,3-benzothiazole; CHEMBL1973329; ZINC1639250; NSC-664311; 5,6-dimethyl-2-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]-1,3-benzothiazole; NCI60_022180; Benzothiazole,2-bis(trifluoromethyl)ethenyl]-5,6-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664311	.	.	.	.	325.27	C13H9F6NS	41.1	400	5.8	21	0	8	1	"InChI=1S/C13H9F6NS/c1-6-3-8-9(4-7(6)2)21-11(20-8)5-10(12(14,15)16)13(17,18)19/h3-5H,1-2H3"	CC1=CC2=C(C=C1C)SC(=N2)C=C(C(F)(F)F)C(F)(F)F	JOUFTDDYFMLDEQ-UHFFFAOYSA-N
DG55234	"Acetic acid 6a-acetoxy-2,2,5,5-tetrakis-trifluoromethyl-tetrahydro-furo[3,2-b]furan-3a-yl ester"	379610	"NSC664314; CHEMBL1987434; NSC-664314; NCI60_022183; [6a-acetoxy-2,2,5,5-tetrakis(trifluoromethyl)-3,6-dihydrofuro[3,2-b]furan-3a-yl] acetate; Acetic acid 6a-acetoxy-2,2,5,5-tetrakis-trifluoromethyl-tetrahydro-furo[3,2-b]furan-3a-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664314	.	.	.	.	502.21	C14H10F12O6	71.1	702	4.2	32	0	18	4	"InChI=1S/C14H10F12O6/c1-5(27)29-9-3-7(11(15,16)17,12(18,19)20)32-10(9,30-6(2)28)4-8(31-9,13(21,22)23)14(24,25)26/h3-4H2,1-2H3"	CC(=O)OC12CC(OC1(CC(O2)(C(F)(F)F)C(F)(F)F)OC(=O)C)(C(F)(F)F)C(F)(F)F	GFUPCHWQPZJGGR-UHFFFAOYSA-N
DG55235	"5,6-Dimethyl-2-(3,3,3-trifluoro-2-(trifluoromethyl)propyl)-1,3-benzoxazole"	379612	"NSC664316; 5,6-Dimethyl-2-(3,3,3-trifluoro-2-(trifluoromethyl)propyl)-1,3-benzoxazole; 5,6-dimethyl-2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,3-benzoxazole; CHEMBL1971761; ZINC1639252; NSC-664316; NCI60_022185"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664316	.	.	.	.	311.22	C13H11F6NO	26	355	5.3	21	0	8	2	"InChI=1S/C13H11F6NO/c1-6-3-8-9(4-7(6)2)21-11(20-8)5-10(12(14,15)16)13(17,18)19/h3-4,10H,5H2,1-2H3"	CC1=CC2=C(C=C1C)OC(=N2)CC(C(F)(F)F)C(F)(F)F	JCOWKOLVSDNUKY-UHFFFAOYSA-N
DG55236	NSC664323	379616	"2,2,2-Trifluoro-1-((6-methyl-4-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)-2-pyridinyl)methyl)-1-(trifluoromethyl)ethyl acetate; NSC664323; 2,2,2-Trifluoro-1-((6-methyl-4-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)-2-pyridinyl)methyl)-1-(trifluoromethyl)ethyl acetate; CHEMBL1974340; NSC-664323; NCI60_022190; [2,2,2-trifluoro-1-[[6-methyl-4-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]-2-pyridyl]methyl]-1-(trifluoromethyl)ethyl] acetate; Acetic acid,1,1-trifluoro-2-(trifluoromethyl)- 3-[4-[1,1,1-trifluoro-2-(trifluoromethyl)-1-propen-1-yl]-6-methyl-2-pyridinyl]-2-propyl ester; Pyridine-2-ethanol,.alpha.-bis(trifluoromethyl)- 4-[3,3,3-trifluoro-2-(trifluoromethyl)-1-propen-1-yl]- 6-methyl-, acetate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664323	.	.	.	.	477.24	C16H11F12NO2	39.2	644	6.2	31	0	15	5	"InChI=1S/C16H11F12NO2/c1-7-3-9(5-11(13(17,18)19)14(20,21)22)4-10(29-7)6-12(15(23,24)25,16(26,27)28)31-8(2)30/h3-5H,6H2,1-2H3"	CC1=CC(=CC(=N1)CC(C(F)(F)F)(C(F)(F)F)OC(=O)C)C=C(C(F)(F)F)C(F)(F)F	UOBWIWXRJULNDE-UHFFFAOYSA-N
DG55237	"9-(2-Chlorophenyl)-4a-hydroxy-3,3,7,7-tetramethyl-2,3,4,4a,7,8,9,9a-octahydro-1H-xanthene-1,5(6H)-dione"	379634	"NSC664342; 9-(2-Chlorophenyl)-4a-hydroxy-3,3,7,7-tetramethyl-2,3,4,4a,7,8,9,9a-octahydro-1H-xanthene-1,5(6H)-dione; CHEMBL1991524; NSC-664342; 9-(2-chlorophenyl)-4a-hydroxy-3,3,7,7-tetramethyl-2,4,6,8,9,9a-hexahydroxanthene-1,5-dione; NCI60_022207"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664342	.	.	.	.	402.9	C23H27ClO4	63.6	737	3.9	28	1	4	1	"InChI=1S/C23H27ClO4/c1-21(2)9-14-18(13-7-5-6-8-15(13)24)19-16(25)10-22(3,4)12-23(19,27)28-20(14)17(26)11-21/h5-8,18-19,27H,9-12H2,1-4H3"	CC1(CC2=C(C(=O)C1)OC3(CC(CC(=O)C3C2C4=CC=CC=C4Cl)(C)C)O)C	UKZIJXQQAJBULQ-UHFFFAOYSA-N
DG55238	"3,3,7,7-tetramethyl-9-(2-nitrophenyl)-4,6,8,9-tetrahydro-2H-xanthene-1,5-dione"	379636	"NSC664344; CHEMBL1976957; NSC-664344; 3,3,7,7-tetramethyl-9-(2-nitrophenyl)-4,6,8,9-tetrahydro-2H-xanthene-1,5-dione; NCI60_022209; 9-(2-(Hydroxy(oxido)amino)phenyl)-3,3,7,7-tetramethyl-2,3,4,7,8,9-hexahydro-1H-xanthene-1,5(6H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664344	.	.	.	.	395.4	C23H25NO5	89.2	842	3.8	29	0	5	1	"InChI=1S/C23H25NO5/c1-22(2)9-14-19(13-7-5-6-8-15(13)24(27)28)20-16(25)10-23(3,4)12-18(20)29-21(14)17(26)11-22/h5-8,19H,9-12H2,1-4H3"	CC1(CC2=C(C(=O)C1)OC3=C(C2C4=CC=CC=C4[N+](=O)[O-])C(=O)CC(C3)(C)C)C	ZDMMMRPYILRBGC-UHFFFAOYSA-N
DG55239	"9-(2-Chlorophenyl)-3,3,7,7-tetramethyl-2,3,4,7,8,9-hexahydro-1H-xanthene-1,5(6H)-dione"	379637	"NSC664345; 9-(2-Chlorophenyl)-3,3,7,7-tetramethyl-2,3,4,7,8,9-hexahydro-1H-xanthene-1,5(6H)-dione; CHEMBL1965463; NSC-664345; 9-(2-chlorophenyl)-3,3,7,7-tetramethyl-4,6,8,9-tetrahydro-2H-xanthene-1,5-dione; NCI60_022210"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664345	.	.	.	.	384.9	C23H25ClO3	43.4	756	4.6	27	0	3	1	"InChI=1S/C23H25ClO3/c1-22(2)9-14-19(13-7-5-6-8-15(13)24)20-16(25)10-23(3,4)12-18(20)27-21(14)17(26)11-22/h5-8,19H,9-12H2,1-4H3"	CC1(CC2=C(C(=O)C1)OC3=C(C2C4=CC=CC=C4Cl)C(=O)CC(C3)(C)C)C	VNMFPHPGMWWBLM-UHFFFAOYSA-N
DG55240	NSC664401	379641	"[(1S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-(4-methoxyphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC664401; NSC-664401; NCI60_022212"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664401	.	.	.	.	883.9	C48H53NO15	231	1840	2.5	64	4	15	15	"InChI=1S/C48H53NO15/c1-25-32(62-44(57)37(53)36(28-18-20-31(59-7)21-19-28)49-42(55)29-14-10-8-11-15-29)23-48(58)41(63-43(56)30-16-12-9-13-17-30)39-46(6,33(52)22-34-47(39,24-60-34)64-27(3)51)40(54)38(61-26(2)50)35(25)45(48,4)5/h8-21,32-34,36-39,41,52-53,58H,22-24H2,1-7H3,(H,49,55)/t32-,33-,34+,36-,37+,38+,39 ,41 ,46+,47-,48+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3C([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=C(C=C5)OC)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	XNPAPBPILRKCOQ-FHNPKNCPSA-N
DG55241	"5-((2-(2-(Diethylamino)ethyl)-1-piperidinyl)acetyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one"	379649	"NSC664526; 5-((2-(2-(Diethylamino)ethyl)-1-piperidinyl)acetyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one; CHEMBL1992642; NSC-664526; NCI60_022220; 5-[2-[2-(2-diethylaminoethyl)-1-piperidyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664526	.	.	.	.	400.6	C23H36N4O2	55.9	551	2.7	29	1	4	7	"InChI=1S/C23H36N4O2/c1-4-25(5-2)15-13-19-10-8-9-14-26(19)17-23(29)27-18(3)16-22(28)24-20-11-6-7-12-21(20)27/h6-7,11-12,18-19H,4-5,8-10,13-17H2,1-3H3,(H,24,28)"	CCN(CC)CCC1CCCCN1CC(=O)N2C(CC(=O)NC3=CC=CC=C32)C	DQEVNZYQFXFWEA-UHFFFAOYSA-N
DG55242	"5-((2-(2-(Diethylamino)ethyl)-1-piperidinyl)acetyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one"	379652	"NSC664530; 5-((2-(2-(Diethylamino)ethyl)-1-piperidinyl)acetyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one; CHEMBL1993795; SCHEMBL10506912; NSC-664530; NCI60_022224; 11-[2-[2-(2-diethylaminoethyl)-1-piperidyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664530	.	.	.	.	434.6	C26H34N4O2	55.9	637	3.9	32	1	4	7	"InChI=1S/C26H34N4O2/c1-3-28(4-2)18-16-20-11-9-10-17-29(20)19-25(31)30-23-14-7-5-12-21(23)26(32)27-22-13-6-8-15-24(22)30/h5-8,12-15,20H,3-4,9-11,16-19H2,1-2H3,(H,27,32)"	CCN(CC)CCC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=CC=CC=C42	YCVQUIDTOAIVAE-UHFFFAOYSA-N
DG55243	"Ethyl 2,3,5-trimethyl-2,3-dihydro-1-benzazepine-1-carboxylate"	379688	NSC664563; CHEMBL1985736; NSC-664563; NCI60_022255	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664563	.	.	.	.	259.339	C16H21NO2	29.5	364	3.6	19	0	2	2	"InChI=1S/C16H21NO2/c1-5-19-16(18)17-13(4)11(2)10-12(3)14-8-6-7-9-15(14)17/h6-11,13H,5H2,1-4H3"	CCOC(=O)N1C(C(C=C(C2=CC=CC=C21)C)C)C	USEQSQVGPKPOHD-UHFFFAOYSA-N
DG55244	"1,3,5-Trimethyl-2,3,4,5-tetrahydro-1-benzazepine-2-carbonitrile"	379691	NSC664566; CHEMBL1988524; NSC-664566; NCI60_022258	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664566	.	.	.	.	214.31	C14H18N2	27	290	3.4	16	0	2	0	"InChI=1S/C14H18N2/c1-10-8-11(2)14(9-15)16(3)13-7-5-4-6-12(10)13/h4-7,10-11,14H,8H2,1-3H3"	CC1CC(C2=CC=CC=C2N(C1C#N)C)C	LBEAHYPHXKKJKU-UHFFFAOYSA-N
DG55245	"(6aS,13aS)-6a,8-dimethyl-7,8,13,13a-tetrahydro-5H-quinolino[4,3-b][1]benzazepin-6-one"	379697	NSC664570; CHEMBL1979447; NSC-664570; NCI60_022263	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664570	.	.	.	.	292.4	C19H20N2O	41.1	451	3.4	22	2	2	0	"InChI=1S/C19H20N2O/c1-12-11-19(2)17(20-15-9-5-3-7-13(12)15)14-8-4-6-10-16(14)21-18(19)22/h3-10,12,17,20H,11H2,1-2H3,(H,21,22)/t12 ,17-,19-/m0/s1"	CC1C[C@]2([C@H](C3=CC=CC=C3NC2=O)NC4=CC=CC=C14)C	BVVBQIPPMQZRLK-AYCODJOZSA-N
DG55246	"1,3beta,5alpha-Trimethyl-N-phenyl-4,5-dihydro-1H-1-benzazepin-2(3H)-imine"	379699	"NSC664572; CHEMBL2006362; NSC-664572; NCI60_022265; 1,3beta,5alpha-Trimethyl-N-phenyl-4,5-dihydro-1H-1-benzazepin-2(3H)-imine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664572	.	.	.	.	278.4	C19H22N2	15.6	370	4.3	21	0	1	1	"InChI=1S/C19H22N2/c1-14-13-15(2)19(20-16-9-5-4-6-10-16)21(3)18-12-8-7-11-17(14)18/h4-12,14-15H,13H2,1-3H3/t14-,15-/m0/s1"	C[C@H]1C[C@@H](C(=NC2=CC=CC=C2)N(C3=CC=CC=C13)C)C	BTJGSULXBGFQCA-GJZGRUSLSA-N
DG55247	"6-[(2-Acetyl-5-bromophenyl)amino]quinoline-5,8-dione"	379706	"NSC664579; 6-[(2-Acetyl-5-bromophenyl)amino]quinoline-5,8-dione; CHEMBL1986862; NNZSFLLODLQQBM-UHFFFAOYSA-; NSC-664579; NCI60_022272; 6-(2-acetyl-5-bromo-anilino)quinoline-5,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664579	.	.	.	.	371.2	C17H11BrN2O3	76.1	560	3.4	23	1	5	3	"InChI=1S/C17H11BrN2O3/c1-9(21)11-5-4-10(18)7-13(11)20-14-8-15(22)16-12(17(14)23)3-2-6-19-16/h2-8,20H,1H3"	CC(=O)C1=C(C=C(C=C1)Br)NC2=CC(=O)C3=C(C2=O)C=CC=N3	NNZSFLLODLQQBM-UHFFFAOYSA-N
DG55248	N-(4-Chloro-3-nitrobenzylidene)adamantan-1-amine	379708	NSC664683; CHEMBL1997877; NSC-664683; NCI60_022274; N-(4-Chloro-3-nitrobenzylidene)adamantan-1-amine; N-(1-adamantyl)-1-(4-chloro-3-nitro-phenyl)methanimine; (5-((1-Adamantylimino)methyl)-2-chlorophenyl)(hydroxy)azane oxide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664683	.	.	.	.	318.8	C17H19ClN2O2	58.2	446	4.5	22	0	3	2	"InChI=1S/C17H19ClN2O2/c18-15-2-1-11(6-16(15)20(21)22)10-19-17-7-12-3-13(8-17)5-14(4-12)9-17/h1-2,6,10,12-14H,3-5,7-9H2"	C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=C(C=C4)Cl)[N+](=O)[O-]	HGIJWSFUOLYHDT-UHFFFAOYSA-N
DG55249	N-(1-adamantyl)-1-(5-chloro-2-nitro-phenyl)methanimine	379709	NSC664684; CHEMBL1986551; NSC-664684; NCI60_022275; N-(1-adamantyl)-1-(5-chloro-2-nitro-phenyl)methanimine; (2-((1-Adamantylimino)methyl)-4-chlorophenyl)(hydroxy)azane oxide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664684	.	.	.	.	318.8	C17H19ClN2O2	58.2	446	4.6	22	0	3	2	"InChI=1S/C17H19ClN2O2/c18-15-1-2-16(20(21)22)14(6-15)10-19-17-7-11-3-12(8-17)5-13(4-11)9-17/h1-2,6,10-13H,3-5,7-9H2"	C1C2CC3CC1CC(C2)(C3)N=CC4=C(C=CC(=C4)Cl)[N+](=O)[O-]	POCYBPOYRZDDHB-UHFFFAOYSA-N
DG55250	"4-(1-Adamantyl)-5-(2,6-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole"	379710	"NSC664685; 4-(1-Adamantyl)-5-(2,6-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole; CHEMBL2006416; 4-(1-adamantyl)-5-(2,6-dichlorophenyl)-3-phenyl-5H-1,2,4-oxadiazole; NSC-664685; NCI60_022276; 4,5-Dihydro-4-(1-adamantyl)-3-phenyl-5-[2,6-dichlorophenyl]-1,2,4-oxadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664685	.	.	.	.	427.4	C24H24Cl2N2O	24.8	610	7.1	29	0	2	3	"InChI=1S/C24H24Cl2N2O/c25-19-7-4-8-20(26)21(19)23-28(22(27-29-23)18-5-2-1-3-6-18)24-12-15-9-16(13-24)11-17(10-15)14-24/h1-8,15-17,23H,9-14H2"	C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=C(C=CC=C6Cl)Cl	QJKYPKWPSHZWHV-UHFFFAOYSA-N
DG55251	"4-(1-adamantyl)-5-(4-chloro-3-nitro-phenyl)-3-phenyl-5H-1,2,4-oxadiazole"	379711	"NSC664686; CHEMBL1981287; NSC-664686; NCI60_022277; 4,5-Dihydro-4-(1-adamantyl)-3-phenyl-5-[4-chloro-3-nitrophenyl]-1,2,4-oxadiazole; 4-(1-adamantyl)-5-(4-chloro-3-nitro-phenyl)-3-phenyl-5H-1,2,4-oxadiazole; 4-(1-Adamantyl)-5-(4-chloro-3-(hydroxy(oxido)amino)phenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664686	.	.	.	.	437.9	C24H24ClN3O3	70.6	706	6.3	31	0	4	3	"InChI=1S/C24H24ClN3O3/c25-20-7-6-19(11-21(20)28(29)30)23-27(22(26-31-23)18-4-2-1-3-5-18)24-12-15-8-16(13-24)10-17(9-15)14-24/h1-7,11,15-17,23H,8-10,12-14H2"	C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)[N+](=O)[O-]	MATVFXPTQKSTKC-UHFFFAOYSA-N
DG55252	"4-(1-adamantyl)-5-(5-chloro-2-nitro-phenyl)-3-phenyl-5H-1,2,4-oxadiazole"	379712	"NSC664687; CHEMBL1966538; NSC-664687; NCI60_022278; 4,5-Dihydro-4-(1-adamantyl)-3-phenyl-5-[5-chloro-2-nitrophenyl]-1,2,4-oxadiazole; 4-(1-adamantyl)-5-(5-chloro-2-nitro-phenyl)-3-phenyl-5H-1,2,4-oxadiazole; 4-(1-Adamantyl)-5-(5-chloro-2-(hydroxy(oxido)amino)phenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664687	.	.	.	.	437.9	C24H24ClN3O3	70.6	706	6.3	31	0	4	3	"InChI=1S/C24H24ClN3O3/c25-19-6-7-21(28(29)30)20(11-19)23-27(22(26-31-23)18-4-2-1-3-5-18)24-12-15-8-16(13-24)10-17(9-15)14-24/h1-7,11,15-17,23H,8-10,12-14H2"	C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=C(C=CC(=C6)Cl)[N+](=O)[O-]	ZWAHBUZUYWFGNJ-UHFFFAOYSA-N
DG55253	"2,6-Epoxy-2H-3-benzoxocin-5-amine, 1,4,5,6-tetrahydro-N,N-dimethyl-"	379715	"NSC664690; NSC664691; CHEMBL1980009; 2,6-Epoxy-2H-3-benzoxocin-5-amine, 1,4,5,6-tetrahydro-N,N-dimethyl-; NSC-664690; NCI60_022281; NCI60_022282"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664690	.	.	.	.	219.28	C13H17NO2	21.7	256	1.5	16	0	3	1	"InChI=1S/C13H17NO2/c1-14(2)11-8-15-12-7-9-5-3-4-6-10(9)13(11)16-12/h3-6,11-13H,7-8H2,1-2H3"	CN(C)C1COC2CC3=CC=CC=C3C1O2	JKIGOMMUIKXZSM-UHFFFAOYSA-N
DG55254	"8-Chloro-9-nitro-2,3,4,5-tetrahydro-1,6-benzodioxocin-7-amine"	379726	"NSC664700; 8-chloro-9-nitro-2,3,4,5-tetrahydro-1,6-benzodioxocin-7-amine; CHEMBL2001493; NSC-664700; NCI60_022291; (2,3,4,5-Tetrahydro-8-chloro-9-nitro-1,6-benzodioxocin)-7-amine; (10-Amino-9-chloro-2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)(hydroxy)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664700	.	.	.	.	258.66	C10H11ClN2O4	90.3	286	2.1	17	1	5	0	"InChI=1S/C10H11ClN2O4/c11-8-6(13(14)15)5-7-10(9(8)12)17-4-2-1-3-16-7/h5H,1-4,12H2"	C1CCOC2=C(C=C(C(=C2N)Cl)[N+](=O)[O-])OC1	WBPLSTPWPZTSRV-UHFFFAOYSA-N
DG55255	"7-Nitro-4,10,15-trioxa-3,5-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene"	379727	"NSC664701; CHEMBL2007162; NSC-664701; NCI60_022292; 4-(Hydroxy(oxido)amino)-7,8,9,10-tetrahydro[1,4]dioxocino[2,3-e][2,1,3]benzoxadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664701	.	.	.	.	251.2	C10H9N3O5	103	323	1.4	18	0	7	0	"InChI=1S/C10H9N3O5/c14-13(15)6-5-7-10(9-8(6)11-18-12-9)17-4-2-1-3-16-7/h5H,1-4H2"	C1CCOC2=C(C=C(C3=NON=C23)[N+](=O)[O-])OC1	WIMLVTXEMBEACG-UHFFFAOYSA-N
DG55256	"1-Hydroxy-2-(2,4,4-trimethylpentan-2-yl)guanidine;oxalic acid"	379731	NSC664707; CHEMBL1975802; NSC-664707	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664707	.	.	.	.	277.32	C11H23N3O5	145	263	.	19	5	6	5	"InChI=1S/C9H21N3O.C2H2O4/c1-8(2,3)6-9(4,5)11-7(10)12-13;3-1(4)2(5)6/h13H,6H2,1-5H3,(H3,10,11,12);(H,3,4)(H,5,6)"	CC(C)(C)CC(C)(C)N=C(N)NO.C(=O)(C(=O)O)O	ZNCMCZYKZFOMEV-UHFFFAOYSA-N
DG55257	"Dimethyl 3-(3-methyl-5,8-dioxo-5,8-dihydro-1-naphthalenyl)-1,2-indolizinedicarboxylate"	379736	"NSC664710; Dimethyl 3-(3-methyl-5,8-dioxo-5,8-dihydro-1-naphthalenyl)-1,2-indolizinedicarboxylate; CHEMBL1966031; NSC-664710; NCI60_022300; dimethyl 3-(3-methyl-5,8-dioxo-1-naphthyl)indolizine-1,2-dicarboxylate; 3-[(5,8-Dihydro-3-methyl-5,8-dioxonaphthalen)-1-yl]indolizine-1,2-dicarboxylic acid dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664710	.	.	.	.	403.4	C23H17NO6	91.2	776	3.8	30	0	6	5	"InChI=1S/C23H17NO6/c1-12-10-13-16(25)7-8-17(26)18(13)14(11-12)21-20(23(28)30-3)19(22(27)29-2)15-6-4-5-9-24(15)21/h4-11H,1-3H3"	CC1=CC(=C2C(=O)C=CC(=O)C2=C1)C3=C(C(=C4N3C=CC=C4)C(=O)OC)C(=O)OC	WKBNZQQBIIYDKB-UHFFFAOYSA-N
DG55258	"8-Chloro-4-methyl-2,3-dihydrothieno[3,2-c]quinoline"	379744	"8-Chloro-4-methyl-2,3-dihydrothieno[3,2-c]quinoline; NSC664716; Oprea1_319657; CHEMBL1981082; HMS1664B03; ZINC159864; MCULE-1330285923; NSC-664716; NCI60_022302; AO-476/14512029; 4-Methyl-8-chloro-2,3-dihydrothieno[3,2-c]quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664716	.	.	.	.	235.73	C12H10ClNS	38.2	248	3.8	15	0	2	0	"InChI=1S/C12H10ClNS/c1-7-9-4-5-15-12(9)10-6-8(13)2-3-11(10)14-7/h2-3,6H,4-5H2,1H3"	CC1=C2CCSC2=C3C=C(C=CC3=N1)Cl	CQHXUEIARMMZLA-UHFFFAOYSA-N
DG55259	"8-Chloro-1-(4-fluorophenyl)-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline"	379746	"NSC664718; 8-Chloro-1-(4-fluorophenyl)-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline; CHEMBL1975364; ZINC344204; 8-chloro-1-(4-fluorophenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline; MCULE-7740113016; NSC-664718; NCI60_022304; AE-406/41056984; 1-(4-Fluorophenyl)-4-methyl-8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664718	.	.	.	.	312.8	C18H14ClFN2	16.1	399	5	22	0	3	1	"InChI=1S/C18H14ClFN2/c1-11-15-8-9-22(14-5-3-13(20)4-6-14)18(15)16-10-12(19)2-7-17(16)21-11/h2-7,10H,8-9H2,1H3"	CC1=C2CCN(C2=C3C=C(C=CC3=N1)Cl)C4=CC=C(C=C4)F	LOACRZGVRDEQGR-UHFFFAOYSA-N
DG55260	"7-(4-Chlorophenyl)-4-methyl-2-(methylthio)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine"	379756	"NSC664728; 7-(4-Chlorophenyl)-4-methyl-2-(methylthio)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine; CHEMBL1985716; ZINC1639375; NSC-664728; 7-(4-chlorophenyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine; NCI60_022314; 7-(4-Chlorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl methyl sulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664728	.	.	.	.	291.8	C14H14ClN3S	54.3	309	4.1	19	0	4	2	"InChI=1S/C14H14ClN3S/c1-9-12-7-8-18(11-5-3-10(15)4-6-11)13(12)17-14(16-9)19-2/h3-6H,7-8H2,1-2H3"	CC1=C2CCN(C2=NC(=N1)SC)C3=CC=C(C=C3)Cl	YKCZEKSHOYDPMM-UHFFFAOYSA-N
DG55261	2-Methyl-4-(1H-pyrazol-1-yl)-3-(2-(1H-pyrazol-1-yl)ethyl)quinoline	379757	NSC664729; 2-Methyl-4-(1H-pyrazol-1-yl)-3-(2-(1H-pyrazol-1-yl)ethyl)quinoline; CHEMBL1989212; 2-methyl-4-pyrazol-1-yl-3-(2-pyrazol-1-ylethyl)quinoline; ZINC13220942; NSC-664729; NCI60_022315	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664729	.	.	.	.	303.4	C18H17N5	48.5	390	2.8	23	0	3	4	"InChI=1S/C18H17N5/c1-14-15(8-13-22-11-4-9-19-22)18(23-12-5-10-20-23)16-6-2-3-7-17(16)21-14/h2-7,9-12H,8,13H2,1H3"	CC1=NC2=CC=CC=C2C(=C1CCN3C=CC=N3)N4C=CC=N4	NWVIOLGQKQXJCL-UHFFFAOYSA-N
DG55262	6-chloro-3-methyl-2-phenyl-1H-quinolin-4-one	379804	NSC664904; 6-chloro-3-methyl-2-phenyl-1H-quinolin-4-one; SCHEMBL8020349; CHEMBL1995931; NSC-664904; NCI60_022353	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664904	.	.	.	.	269.72	C16H12ClNO	29.1	398	4.2	19	1	2	1	"InChI=1S/C16H12ClNO/c1-10-15(11-5-3-2-4-6-11)18-14-8-7-12(17)9-13(14)16(10)19/h2-9H,1H3,(H,18,19)"	CC1=C(NC2=C(C1=O)C=C(C=C2)Cl)C3=CC=CC=C3	KEXRVLPIWYCEPT-UHFFFAOYSA-N
DG55263	6-chloro-4-oxo-2-phenyl-1H-quinoline-3-carbonitrile	379806	NSC664906; CHEMBL1991418; NSC-664906; NCI60_022355	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664906	.	.	.	.	280.71	C16H9ClN2O	52.9	484	3.7	20	1	3	1	"InChI=1S/C16H9ClN2O/c17-11-6-7-14-12(8-11)16(20)13(9-18)15(19-14)10-4-2-1-3-5-10/h1-8H,(H,19,20)"	C1=CC=C(C=C1)C2=C(C(=O)C3=C(N2)C=CC(=C3)Cl)C#N	QCENVEJEEISSID-UHFFFAOYSA-N
DG55264	"N-(1-(2-Chlorophenyl)ethyl)-4,5-dihydro-1,3-oxazol-2-amine"	379843	"NSC664975; N-(1-(2-Chlorophenyl)ethyl)-4,5-dihydro-1,3-oxazol-2-amine; N-[1-(2-chlorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine; SCHEMBL1788139; CHEMBL1987897; SCHEMBL14039923; NSC-664975; NCI60_022386; N-[1-(2-chlorophenyl)ethyl]-4,5-dihydrooxazol-2-amine; N-(1-(2-Chlorophenyl)ethyl)-N-(4,5-dihydro-1,3-oxazol-2-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664975	.	.	.	.	224.68	C11H13ClN2O	33.6	245	2.2	15	1	2	3	"InChI=1S/C11H13ClN2O/c1-8(14-11-13-6-7-15-11)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3,(H,13,14)"	CC(C1=CC=CC=C1Cl)NC2=NCCO2	HGHUIMUBLYEQDT-UHFFFAOYSA-N
DG55265	"4,7-Methanobenzo[b]thiophene, 4,5,6,7,8,8-hexachloro-2,2,3,3-tetrafluoro-2,3,3a,4,7,7a-hexahydro-"	379844	"NSC664976; hexachloro(tetrafluoro)[ ]; CHEMBL1992795; NSC-664976; 4,7-Methanobenzo[b]thiophene, 4,5,6,7,8,8-hexachloro-2,2,3,3-tetrafluoro-2,3,3a,4,7,7a-hexahydro-; NCI60_022387"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664976	.	.	.	.	430.9	C9H2Cl6F4S	25.3	551	5.2	20	0	5	0	"InChI=1S/C9H2Cl6F4S/c10-2-3(11)6(13)4-1(5(2,12)8(6,14)15)7(16,17)9(18,19)20-4/h1,4H"	C12C(C3(C(=C(C1(C3(Cl)Cl)Cl)Cl)Cl)Cl)SC(C2(F)F)(F)F	IOTWKLDMBZIDBV-UHFFFAOYSA-N
DG55266	"4-Amino-3,5-dichloro-N-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)benzamide"	379857	"NSC664993; CHEMBL2002742; NSC-664993; 4-Amino-3,5-dichloro-N-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)benzamide; 4-amino-3,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide; NCI60_022396"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664993	.	.	.	.	437.4	C21H26Cl2N4O2	70.8	507	3.7	29	2	5	7	"InChI=1S/C21H26Cl2N4O2/c1-29-19-6-3-2-5-18(19)27-11-9-26(10-12-27)8-4-7-25-21(28)15-13-16(22)20(24)17(23)14-15/h2-3,5-6,13-14H,4,7-12,24H2,1H3,(H,25,28)"	COC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)C3=CC(=C(C(=C3)Cl)N)Cl	UCGWLRAHZIJPNH-UHFFFAOYSA-N
DG55267	1-Benzyl-4-(1-benzyl-1H-tetraazol-5-yl)-N-phenyl-4-piperidinamine	379867	NSC665004; CHEMBL1994306; 1-Benzyl-4-(1-benzyl-1H-tetraazol-5-yl)-N-phenyl-4-piperidinamine; NSC-665004; NCI60_022404; 1-benzyl-4-(1-benzyltetrazol-5-yl)-N-phenyl-piperidin-4-amine; N-(1-Benzyl-4-(1-benzyl-1H-tetraazol-5-yl)-4-piperidinyl)-N-phenylamine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665004	.	.	.	.	424.5	C26H28N6	58.9	545	4.6	32	1	5	7	"InChI=1S/C26H28N6/c1-4-10-22(11-5-1)20-31-18-16-26(17-19-31,27-24-14-8-3-9-15-24)25-28-29-30-32(25)21-23-12-6-2-7-13-23/h1-15,27H,16-21H2"	C1CN(CCC1(C2=NN=NN2CC3=CC=CC=C3)NC4=CC=CC=C4)CC5=CC=CC=C5	BIEFAJJYFCAXBU-UHFFFAOYSA-N
DG55268	"6-Chloro-7-[4'-(pyridyl)piperazino]-5,8-quinolinedione"	379873	"NSC665033; CHEMBL1976825; 6-Chloro-7-[4'-(pyridyl)piperazino]-5,8-quinolinedione; NSC-665033; NCI60_022409"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665033	.	.	.	.	354.8	C18H15ClN4O2	66.4	586	2.7	25	0	6	2	"InChI=1S/C18H15ClN4O2/c19-14-16(18(25)15-12(17(14)24)4-3-7-21-15)23-10-8-22(9-11-23)13-5-1-2-6-20-13/h1-7H,8-11H2"	C1CN(CCN1C2=CC=CC=N2)C3=C(C(=O)C4=C(C3=O)N=CC=C4)Cl	RKFBAYFKEIDQFV-UHFFFAOYSA-N
DG55269	"2-Nitropentachloro-1,3-butadiene"	379884	"NSC665076; 2-nitropentachloro-1,3-butadiene; Neuro_000388; SCHEMBL4861688; CHEMBL1995420; DTXSID10327538; ZINC1640410; NSC-665076; 1, 1,1,2,4,4-pentachloro-3-nitro-; 61351-34-6; NCI60_022416; 1,1,2,4,4-Pentachloro-3-nitro-1,3-butadiene; 1,1,2,4,4-pentachloro-3-nitro-buta-1,3-diene; Hydroxy(2,3,3-trichloro-1-(dichloromethylene)-2-propenyl)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665076	.	.	.	.	271.3	C4Cl5NO2	45.8	257	4.1	12	0	2	1	InChI=1S/C4Cl5NO2/c5-1(3(6)7)2(4(8)9)10(11)12	C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)[N+](=O)[O-]	SRMCLUOMSNNKMQ-UHFFFAOYSA-N
DG55270	"1,3-Butadiene, 1,1,2-trichloro-3-nitro-4,4-di(1-piperidyl)-"	379892	"NSC665084; 1-[3,4,4-Trichloro-2-nitro-1-(1-piperidinyl)-1,3-butadienyl]piperidine; 1,3-Butadiene, 1,1,2-trichloro-3-nitro-4,4-di(1-piperidyl)-; MLS000718072; C14H20Cl3N3O2; CHEMBL2000343; ZINC1640419; STL347790; AKOS000604996; MCULE-3357694161; NSC-665084; NCI60_022424; SMR000279840; 1,1'-(3,4,4-trichloro-2-nitrobuta-1,3-diene-1,1-diyl)dipiperidine; 1-[3,4,4-trichloro-2-nitro-1-(1-piperidyl)buta-1,3-dienyl]piperidine; Piperidine, 1,1'-(3,4,4-trichloro-2-nitro-1,3-butadienylidene)bis-; 1-[3,4,4-Trichloro-2-nitro-1-(1-piperidinyl)-1,3-butadienyl]piperidine #; 71151-75-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665084	.	.	.	.	368.7	C14H20Cl3N3O2	52.3	452	4.8	22	0	4	3	InChI=1S/C14H20Cl3N3O2/c15-11(13(16)17)12(20(21)22)14(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10H2	C1CCN(CC1)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2CCCCC2	LMONVEOEQYURAX-UHFFFAOYSA-N
DG55271	"Morpholine, 4,4'-(3,4,4-trichloro-2-nitro-1,3-butadienylidene)bis-"	379893	"NSC665085; Morpholine, 4,4'-(3,4,4-trichloro-2-nitro-1,3-butadienylidene)bis-; CHEMBL1965614; ZINC1232551; AKOS024356022; MCULE-6269506104; NSC-665085; NCI60_022425; SR-01000198730; SR-01000198730-1; 4-(3,4,4-trichloro-1-morpholino-2-nitro-buta-1,3-dienyl)morpholine; 4-[3,4,4-TRICHLORO-1-(4-MORPHOLINYL)-2-NITRO-1,3-BUTADIENYL]MORPHOLINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665085	.	.	.	.	372.6	C12H16Cl3N3O4	70.8	457	2.4	22	0	6	3	InChI=1S/C12H16Cl3N3O4/c13-9(11(14)15)10(18(19)20)12(16-1-5-21-6-2-16)17-3-7-22-8-4-17/h1-8H2	C1COCCN1C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2CCOCC2	GCCKMFCEGDHXLQ-UHFFFAOYSA-N
DG55272	"1H-1,2,3-Benzotriazole, 1,1'-(3,4,4-trichloro-2-nitro-1,3-butadienylidene)bis-"	379903	"NSC665095; 1H-1,2,3-Benzotriazole, 1,1'-(3,4,4-trichloro-2-nitro-1,3-butadienylidene)bis-; CHEMBL1973631; ZINC1509994; NSC-665095; NCI60_022436; 1,1,2-Trichloro-3-nitro-4,4-bis(1H-benzotriazole-1-yl)-1,3-butadiene; 3,4,4-trichloro-1,1-bis(1h-benzotriazol-1-yl)-2-nitrobuta-1,3-diene; 1-[1-(benzotriazol-1-yl)-3,4,4-trichloro-2-nitro-buta-1,3-dienyl]benzotriazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665095	.	.	.	.	436.6	C16H8Cl3N7O2	107	660	4.6	28	0	6	3	InChI=1S/C16H8Cl3N7O2/c17-13(15(18)19)14(26(27)28)16(24-11-7-3-1-5-9(11)20-22-24)25-12-8-4-2-6-10(12)21-23-25/h1-8H	C1=CC=C2C(=C1)N=NN2C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N3C4=CC=CC=C4N=N3	IJMIRMDQNPQEDL-UHFFFAOYSA-N
DG55273	"1-[1,4,4-Tris(benzotriazol-1-yl)-3-nitro-buta-1,3-dienyl]benzotriazole"	379905	"NSC665097; CHEMBL2000503; NSC-665097; NCI60_022438; 1-[1,4,4-tris(benzotriazol-1-yl)-3-nitro-buta-1,3-dienyl]benzotriazole; 1H-1,2,3-Benzotriazole, 1,1',1'',1'''-(2-nitro-1,3-butadiene-1,4-diylidene)tetrakis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665097	.	.	.	.	567.5	C28H17N13O2	169	1050	4.6	43	0	10	5	InChI=1S/C28H17N13O2/c42-41(43)26(28(39-24-15-7-3-11-20(24)31-35-39)40-25-16-8-4-12-21(25)32-36-40)17-27(37-22-13-5-1-9-18(22)29-33-37)38-23-14-6-2-10-19(23)30-34-38/h1-17H	C1=CC=C2C(=C1)N=NN2C(=CC(=C(N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5)[N+](=O)[O-])N7C8=CC=CC=C8N=N7	KLKSOLOBRLDNPS-UHFFFAOYSA-N
DG55274	"(1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide"	379911	"NSC665103; 151052-73-2; CHEMBL1990007; DTXSID80327540; ZINC1640445; STL580735; AKOS024356027; MCULE-5129305002; NSC-665103; 1,1'-[(3,4,4-trichloro-2-nitrobuta-1,3-diene-1,1-diyl)disulfanediyl]dibenzene; NCI60_022444; (3,4,4-trichloro-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl)sulfanylbenzene; {[3,4,4-trichloro-2-nitro-1-(phenylthio)-1,3-butadienyl]thio}benzene; Benzene,1'-[(3,4,4-trichloro-2-nitro- 1,3-butadienylidene)bis(thio)]bis-; (1-(Bis(phenylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665103	.	.	.	.	418.7	C16H10Cl3NO2S2	96.4	482	7	24	0	4	5	InChI=1S/C16H10Cl3NO2S2/c17-13(15(18)19)14(20(21)22)16(23-11-7-3-1-4-8-11)24-12-9-5-2-6-10-12/h1-10H	C1=CC=C(C=C1)SC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2	KDLDVVOYKRVOOK-UHFFFAOYSA-N
DG55275	4-Chloro-5-ethoxy-3-(trichloromethyl)isothiazole	379919	NSC665111; 4-Chloro-5-ethoxy-3-(trichloromethyl)isothiazole; 4-Chloro-3-(trichloromethyl)-5-isothiazolyl ethyl ether; CHEMBL1971940; ZINC1640453; AKOS024356030; MCULE-6667450252; NSC-665111; NCI60_022452	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665111	.	.	.	.	281	C6H5Cl4NOS	50.4	177	3.9	13	0	3	2	"InChI=1S/C6H5Cl4NOS/c1-2-12-5-3(7)4(11-13-5)6(8,9)10/h2H2,1H3"	CCOC1=C(C(=NS1)C(Cl)(Cl)Cl)Cl	AEGOAPMRBFROFA-UHFFFAOYSA-N
DG55276	N-Benzylidene-4-(3-phenylbenzo[f]quinolin-1-yl)aniline	379933	NSC665125; NSC-665125; CHEMBL1288168; N-Benzylidene-4-(3-phenylbenzo[f]quinolin-1-yl)aniline; 1-phenyl-N-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]methanimine; ZINC12375800; ZINC104307208; NCI60_022466; N-Benzylidene-N-(4-(3-phenylbenzo[f]quinolin-1-yl)phenyl)amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665125	.	.	.	.	434.5	C32H22N2	25.2	652	8	34	0	2	4	InChI=1S/C32H22N2/c1-3-9-23(10-4-1)22-33-27-18-15-25(16-19-27)29-21-31(26-12-5-2-6-13-26)34-30-20-17-24-11-7-8-14-28(24)32(29)30/h1-22H	C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=CC(=NC4=C3C5=CC=CC=C5C=C4)C6=CC=CC=C6	NFKDYJICOHIJDQ-UHFFFAOYSA-N
DG55277	4-(4-(3-(4-(Dimethylamino)phenyl)benzo[f]quinolin-1-yl)anilino)-2-butanone	379936	NSC665128; NSC-665128; 4-(4-(3-(4-(Dimethylamino)phenyl)benzo[f]quinolin-1-yl)anilino)-2-butanone; CHEMBL1288225; 4-[4-[3-(4-dimethylaminophenyl)benzo[f]quinolin-1-yl]anilino]butan-2-one; NCI60_022469	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665128	.	.	.	.	459.6	C31H29N3O	45.2	679	7	35	1	4	7	"InChI=1S/C31H29N3O/c1-21(35)18-19-32-25-13-8-23(9-14-25)28-20-30(24-10-15-26(16-11-24)34(2)3)33-29-17-12-22-6-4-5-7-27(22)31(28)29/h4-17,20,32H,18-19H2,1-3H3"	CC(=O)CCNC1=CC=C(C=C1)C2=CC(=NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(C=C5)N(C)C	ZRCFZLFZSNNYPA-UHFFFAOYSA-N
DG55278	"10-[1,1'-Biphenyl]-4-yl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione"	379951	"NSC665143; 10-[1,1'-Biphenyl]-4-yl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione; CHEMBL1987967; ZINC1640477; 10-(4-phenylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione; NSC-665143; NCI60_022484"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665143	.	.	.	.	369.5	C25H23NO2	37.4	675	4.2	28	0	3	2	"InChI=1S/C25H23NO2/c27-24-10-4-8-22-20(24)16-21-23(9-5-11-25(21)28)26(22)19-14-12-18(13-15-19)17-6-2-1-3-7-17/h1-3,6-7,12-15H,4-5,8-11,16H2"	C1CC2=C(CC3=C(N2C4=CC=C(C=C4)C5=CC=CC=C5)CCCC3=O)C(=O)C1	YMJVDQPVOFGMSI-UHFFFAOYSA-N
DG55279	"2-(4-Chloro-2H-chromen-3-yl)-1H-imidazole-4,5-dicarbonitrile"	379952	"NSC665144; 2-(4-Chloro-2H-chromen-3-yl)-1H-imidazole-4,5-dicarbonitrile; CHEMBL1972167; ZINC5647200; NSC-665144; NCI60_022485"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665144	.	.	.	.	282.68	C14H7ClN4O	85.5	528	2.1	20	1	4	1	"InChI=1S/C14H7ClN4O/c15-13-8-3-1-2-4-12(8)20-7-9(13)14-18-10(5-16)11(6-17)19-14/h1-4H,7H2,(H,18,19)"	C1C(=C(C2=CC=CC=C2O1)Cl)C3=NC(=C(N3)C#N)C#N	CWVGNKRXVPDBQT-UHFFFAOYSA-N
DG55280	"N-Methyl-bis,3'-(2-nitroimidazol-1H-yl)propylamine"	379960	"NSC665155; CHEMBL1998482; NSC-665155; N-Methyl-bis,3'-(2-nitroimidazol-1H-yl)propylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665155	.	.	.	.	435.42	C13H21N7O8S	214	471	.	29	2	11	8	"InChI=1S/C13H19N7O4.H2O4S/c1-16(6-2-8-17-10-4-14-12(17)19(21)22)7-3-9-18-11-5-15-13(18)20(23)24;1-5(2,3)4/h4-5,10-11H,2-3,6-9H2,1H3;(H2,1,2,3,4)"	CN(CCCN1C=CN=C1[N+](=O)[O-])CCCN2C=CN=C2[N+](=O)[O-].OS(=O)(=O)O	LDAHQHKGMVXFPE-UHFFFAOYSA-N
DG55281	"1'-methyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one"	379977	"1'-methyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one; 438621-93-3; NSC665284; 1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one; Oprea1_872125; CHEMBL2001959; ZINC1640493; HTS001086; MFCD02929845; Spiro[piperidine-4,2'(1'H)-quinazolin]-4'(3'H)-one, 1'-methyl-; STL134586; AKOS005745034; BS-3539; MCULE-8053001211; NSC-665284; NCI60_022498; CS-0317775; 1'-methyl-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazoline]-4'-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665284	.	.	.	.	231.29	C13H17N3O	44.4	312	1.1	17	2	3	0	"InChI=1S/C13H17N3O/c1-16-11-5-3-2-4-10(11)12(17)15-13(16)6-8-14-9-7-13/h2-5,14H,6-9H2,1H3,(H,15,17)"	CN1C2=CC=CC=C2C(=O)NC13CCNCC3	HELAPIIBUJVKGM-UHFFFAOYSA-N
DG55282	N-(4-((4-Anilino-1-benzyl-4-piperidinyl)ethynyl)-1-benzyl-4-piperidinyl)-N-phenylamine	379997	NSC665299; CHEMBL2005810; NSC-665299; N-(4-((4-Anilino-1-benzyl-4-piperidinyl)ethynyl)-1-benzyl-4-piperidinyl)-N-phenylamine; NCI60_022510; 4-[2-(4-anilino-1-benzyl-4-piperidyl)ethynyl]-1-benzyl-N-phenyl-piperidin-4-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665299	.	.	.	.	554.8	C38H42N4	30.5	778	7.4	42	2	4	10	"InChI=1S/C38H42N4/c1-5-13-33(14-6-1)31-41-27-23-37(24-28-41,39-35-17-9-3-10-18-35)21-22-38(40-36-19-11-4-12-20-36)25-29-42(30-26-38)32-34-15-7-2-8-16-34/h1-20,39-40H,23-32H2"	C1CN(CCC1(C#CC2(CCN(CC2)CC3=CC=CC=C3)NC4=CC=CC=C4)NC5=CC=CC=C5)CC6=CC=CC=C6	HUMBBWRZWQOMRB-UHFFFAOYSA-N
DG55283	"8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione"	380019	"NSC665313; 8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione; CHEMBL1985013; NSC-665313; 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-4-phenyl-2,4,8-triazaspiro[4.5]decane-1,3-dione; NCI60_022524"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665313	.	.	.	.	407.5	C23H25N3O4	62.3	657	2.7	30	0	5	3	"InChI=1S/C23H25N3O4/c1-24-21(27)23(26(22(24)28)17-7-3-2-4-8-17)11-13-25(14-12-23)15-18-16-29-19-9-5-6-10-20(19)30-18/h2-10,18H,11-16H2,1H3"	CN1C(=O)C2(CCN(CC2)CC3COC4=CC=CC=C4O3)N(C1=O)C5=CC=CC=C5	WOPZHACYQXZLKH-UHFFFAOYSA-N
DG55284	"1,3,8-Triazaspiro(4.5)decan-4-one, 8-(benzo(b)thien-3-ylmethyl)-3-methyl-1-phenyl-"	380039	"NSC665335; 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(benzo(b)thien-3-ylmethyl)-3-methyl-1-phenyl-; 102395-51-7; CHEMBL1169728; 8-(1-Benzothien-3-ylmethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; 8-(1-Benzothiophen-3-ylmethyl)-3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decane; 8-(Benzo(b)thien-3-ylmethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one; CHEMBL1199909; DTXSID80145009; ZINC1640539; BDBM50322234; NSC-665335; NCI60_022545; 8-(Benzo[b]thiophen-3-ylmethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; 8-(benzothiophen-3-ylmethyl)-2-methyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one; 8-(Benzo[b]thiophen-3-ylmethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one oxalate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665335	.	.	.	.	391.5	C23H25N3OS	55	570	4.3	28	0	4	3	"InChI=1S/C23H25N3OS/c1-24-17-26(19-7-3-2-4-8-19)23(22(24)27)11-13-25(14-12-23)15-18-16-28-21-10-6-5-9-20(18)21/h2-10,16H,11-15,17H2,1H3"	CN1CN(C2(C1=O)CCN(CC2)CC3=CSC4=CC=CC=C43)C5=CC=CC=C5	BKMRLPDOTVKGIM-UHFFFAOYSA-N
DG55285	"1,3,8-Triazaspiro(4.5)decan-4-one, 8-(2-(benzo(b)thien-3-yl)ethyl)-3-methyl-1-phenyl-"	380044	"NSC665341; 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(2-(benzo(b)thien-3-yl)ethyl)-3-methyl-1-phenyl-; 102395-50-6; 8-(2-(1-Benzothien-3-yl)ethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; 8-(2-(1-Benzothiophenyl-3)ethyl)-3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decane; 8-(2-(Benzo(b)thien-3-yl)ethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one; CHEMBL1985080; DTXSID20145008; NSC-665341; NCI60_022550; 8-[2-(Benzo[b]thiophen-3-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; 8-[2-(benzothiophen-3-yl)ethyl]-2-methyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665341	.	.	.	.	405.6	C24H27N3OS	55	585	4.8	29	0	4	4	"InChI=1S/C24H27N3OS/c1-25-18-27(20-7-3-2-4-8-20)24(23(25)28)12-15-26(16-13-24)14-11-19-17-29-22-10-6-5-9-21(19)22/h2-10,17H,11-16,18H2,1H3"	CN1CN(C2(C1=O)CCN(CC2)CCC3=CSC4=CC=CC=C43)C5=CC=CC=C5	PVBDZWYNCUYEBK-UHFFFAOYSA-N
DG55286	"(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-hydroxy-2-phenylpent-3-ynoate"	380047	NSC665343; CHEMBL1982885; NSC-665343; NCI60_022552	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665343	.	.	.	.	299.4	C18H21NO3	49.8	493	1.9	22	1	4	6	"InChI=1S/C18H21NO3/c1-3-11-18(21,16-9-5-4-6-10-16)17(20)22-14-15-8-7-12-19(2)13-15/h4-6,8-10,21H,7,12-14H2,1-2H3"	CC#CC(C1=CC=CC=C1)(C(=O)OCC2=CCCN(C2)C)O	QQAMIRKRUWLITC-UHFFFAOYSA-N
DG55287	7-chloro-N-[4-(3-phenyloxaziridin-2-yl)butyl]quinolin-4-amine	380063	"NSC665364; CHEMBL1974639; 7-chloro-N-[4-(3-phenyloxaziridin-2-yl)butyl]quinolin-4-amine; NSC-665364; NCI60_022563; 4-Quinolinamine, 7-chloro-N-[4-(3-phenyloxaziridinyl)butyl]-; 4-Quinolinamine, 7-chloro-N-[4-(3-phenyloxaziridinyl) butyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665364	.	.	.	.	353.8	C20H20ClN3O	40.5	418	5	25	1	4	7	"InChI=1S/C20H20ClN3O/c21-16-8-9-17-18(10-12-23-19(17)14-16)22-11-4-5-13-24-20(25-24)15-6-2-1-3-7-15/h1-3,6-10,12,14,20H,4-5,11,13H2,(H,22,23)"	C1=CC=C(C=C1)C2N(O2)CCCCNC3=C4C=CC(=CC4=NC=C3)Cl	MMUAXWUXILQCRK-UHFFFAOYSA-N
DG55288	4-Bromo-N-(2-(1-piperidinyl)ethyl)benzamide	380066	NSC665368; 4-Bromo-N-(2-(1-piperidinyl)ethyl)benzamide; CHEMBL2006405; ZINC1640560; STK493357; AKOS003403907; MCULE-4873225654; NSC-665368; N-(2-Piperidinoethyl)-4-bromobenzamide; NCI60_022567; 4-bromo-N-[2-(1-piperidyl)ethyl]benzamide; 4-bromo-N-[2-(piperidin-1-yl)ethyl]benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665368	.	.	.	.	311.22	C14H19BrN2O	32.299	259	2.8	18	1	2	4	"InChI=1S/C14H19BrN2O/c15-13-6-4-12(5-7-13)14(18)16-8-11-17-9-2-1-3-10-17/h4-7H,1-3,8-11H2,(H,16,18)"	C1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)Br	ISJXFKZLMCIOKC-UHFFFAOYSA-N
DG55289	"5a-Methoxy-9-(2-methoxyphenyl)-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	380086	"NSC665484; 5a-Methoxy-9-(2-methoxyphenyl)-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one; CHEMBL1964874; SCHEMBL19425589; methoxy-(2-methoxyphenyl)[ ]one; NSC-665484; NCI60_022582"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665484	.	.	.	.	370.4	C20H18O7	72.4	583	2.6	27	0	7	3	"InChI=1S/C20H18O7/c1-22-13-6-4-3-5-11(13)17-12-7-15-16(26-10-25-15)8-14(12)27-20(23-2)9-24-19(21)18(17)20/h3-8,17-18H,9-10H2,1-2H3"	COC1=CC=CC=C1C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)OC	WRLLJZYUHKBCFJ-UHFFFAOYSA-N
DG55290	"5,5-Dimethyl-12-(3,4,5-trimethoxyphenyl)-3,12-dihydro-1H-(1,3)dioxolo(4,5-i)furo(3,4-d)(1,3)benzodioxocin-1-one"	380087	"NSC665485; 191023-24-2; MLS002702160; 5,5-Dimethyl-12-(3,4,5-trimethoxyphenyl)-3,12-dihydro-1H-(1,3)dioxolo(4,5-i)furo(3,4-d)(1,3)benzodioxocin-1-one; 5,5-Dimethyl-12-(3,4,5-trimethoxyphenyl)-3,12-dihydro-1H-[1,3]dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-one; NSC 665485; CHEMBL1719357; DTXSID30940708; NSC-665485; NCI60_022583; SMR001565724; dimethyl-(3,4,5-trimethoxyphenyl)[ ]one; 1H-[1,5-i]furo[3,4-d][1,3]benzodioxocin-1-one, 3,12-dihydro-5,5-dimethyl- 12-(3,4,5-trimethoxyphenyl)-; 5,5-Dimethyl-11-(3,4,5-trimethoxyphenyl)-3,11-dihydro-8,9-(epoxymethanoxy)-5H-2,4,6-trioxa-1H-benzo[a]cyclopenta[d]cycloocten-1-one; 5,5-Dimethyl-12-(3,4,5-trimethoxyphenyl)-3,12-dihydro-1H,5H,9H-[1,3]dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665485	.	.	.	.	456.4	C24H24O9	90.9	766	3.5	33	0	9	4	"InChI=1S/C24H24O9/c1-24(2)32-14-9-16-15(30-11-31-16)8-13(14)20(21-19(33-24)10-29-23(21)25)12-6-17(26-3)22(28-5)18(7-12)27-4/h6-9,20H,10-11H2,1-5H3"	CC1(OC2=C(C(C3=CC4=C(C=C3O1)OCO4)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)OC2)C	UOVKZFDKJDTNPN-UHFFFAOYSA-N
DG55291	"9-(2-Methoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	380089	"NSC665487; (2-methoxyphenyl)[ ]one; 9-(2-Methoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one; CHEMBL1973553; NSC-665487; NCI60_022585"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665487	.	.	.	.	338.3	C19H14O6	63.2	587	2.7	25	0	6	2	"InChI=1S/C19H14O6/c1-21-12-5-3-2-4-10(12)17-11-6-14-15(24-9-23-14)7-13(11)25-16-8-22-19(20)18(16)17/h2-7,17H,8-9H2,1H3"	COC1=CC=CC=C1C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4	DRENTJWEDIMNIA-UHFFFAOYSA-N
DG55292	"5a-Methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	380090	"NSC665488; Neuro_000389; 5a-Methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one; CHEMBL1987874; NSC-665488; methoxy-(3,4,5-trimethoxyphenyl)[ ]one; NCI60_022586"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665488	.	.	.	.	430.4	C22H22O9	90.9	659	2.6	31	0	9	5	"InChI=1S/C22H22O9/c1-24-16-5-11(6-17(25-2)20(16)26-3)18-12-7-14-15(30-10-29-14)8-13(12)31-22(27-4)9-28-21(23)19(18)22/h5-8,18-19H,9-10H2,1-4H3"	COC1=CC(=CC(=C1OC)OC)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)OC	YHXBZXBIGHSHTP-UHFFFAOYSA-N
DG55293	"4-Methoxy-3-((6-methoxy-1,3-benzodioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl)-2(5H)-furanone"	380091	"NSC665489; 4-Methoxy-3-((6-methoxy-1,3-benzodioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl)-2(5H)-furanone; CHEMBL1978640; NSC-665489; 3-methoxy-4-[(6-methoxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-2H-furan-5-one; NCI60_022587"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665489	.	.	.	.	444.4	C23H24O9	90.9	681	3	32	0	9	8	"InChI=1S/C23H24O9/c1-25-14-9-16-15(31-11-32-16)8-13(14)20(21-19(28-4)10-30-23(21)24)12-6-17(26-2)22(29-5)18(7-12)27-3/h6-9,20H,10-11H2,1-5H3"	COC1=C(C(=O)OC1)C(C2=CC(=C(C(=C2)OC)OC)OC)C3=CC4=C(C=C3OC)OCO4	BIIJSIZRQISSMR-UHFFFAOYSA-N
DG55294	"9-(2,4-Dimethoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	380092	"NSC665490; 9-(2,4-Dimethoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one; (2,4-dimethoxyphenyl)[ ]one; CHEMBL1992141; NSC-665490; NCI60_022588"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665490	.	.	.	.	368.3	C20H16O7	72.4	632	2.7	27	0	7	3	"InChI=1S/C20H16O7/c1-22-10-3-4-11(13(5-10)23-2)18-12-6-15-16(26-9-25-15)7-14(12)27-17-8-24-20(21)19(17)18/h3-7,18H,8-9H2,1-2H3"	COC1=CC(=C(C=C1)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4)OC	WAQADCCLNSOVFY-UHFFFAOYSA-N
DG55295	"9-(2,4-Dimethoxyphenyl)-5a-methoxy-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	380093	"NSC665491; 9-(2,4-Dimethoxyphenyl)-5a-methoxy-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one; CHEMBL1995944; SCHEMBL19425587; NSC-665491; (2,4-dimethoxyphenyl)-methoxy-[ ]one; NCI60_022589"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665491	.	.	.	.	400.4	C21H20O8	81.7	628	2.6	29	0	8	4	"InChI=1S/C21H20O8/c1-23-11-4-5-12(14(6-11)24-2)18-13-7-16-17(28-10-27-16)8-15(13)29-21(25-3)9-26-20(22)19(18)21/h4-8,18-19H,9-10H2,1-3H3"	COC1=CC(=C(C=C1)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)OC)OC	DCTYZTVYCGVAFU-UHFFFAOYSA-N
DG55296	"9-(1,3-Benzodioxol-5-yl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	380094	"NSC665492; MLS002702161; Neuro_000390; 9-(1,3-Benzodioxol-5-yl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one; CHEMBL1893379; NSC-665492; NCI60_022590; SMR001565725"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665492	.	.	.	.	352.3	C19H12O7	72.4	646	2.6	26	0	7	1	"InChI=1S/C19H12O7/c20-19-18-16(6-21-19)26-12-5-15-14(24-8-25-15)4-10(12)17(18)9-1-2-11-13(3-9)23-7-22-11/h1-5,17H,6-8H2"	C1C2=C(C(C3=CC4=C(C=C3O2)OCO4)C5=CC6=C(C=C5)OCO6)C(=O)O1	KWSRNFODVVETLY-UHFFFAOYSA-N
DG55297	"9-(3-Methoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	380095	"NSC665493; (3-methoxyphenyl)[ ]one; Neuro_000391; 9-(3-Methoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one; Oprea1_608790; CHEMBL2002206; NSC-665493; NCI60_022591"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665493	.	.	.	.	338.3	C19H14O6	63.2	587	2.7	25	0	6	2	"InChI=1S/C19H14O6/c1-21-11-4-2-3-10(5-11)17-12-6-14-15(24-9-23-14)7-13(12)25-16-8-22-19(20)18(16)17/h2-7,17H,8-9H2,1H3"	COC1=CC=CC(=C1)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4	AIQJGIGDRIXKNJ-UHFFFAOYSA-N
DG55298	"9-(1,3-Benzodioxol-5-yl)-5a-methoxy-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	380098	"NSC665496; 9-(1,3-Benzodioxol-5-yl)-5a-methoxy-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one; CHEMBL1997374; 1,3-benzodioxol-5-yl(methoxy)[ ]one; NSC-665496; NCI60_022594"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665496	.	.	.	.	384.3	C20H16O8	81.7	642	2.5	28	0	8	2	"InChI=1S/C20H16O8/c1-22-20-7-23-19(21)18(20)17(10-2-3-12-14(4-10)25-8-24-12)11-5-15-16(27-9-26-15)6-13(11)28-20/h2-6,17-18H,7-9H2,1H3"	COC12COC(=O)C1C(C3=CC4=C(C=C3O2)OCO4)C5=CC6=C(C=C5)OCO6	LKMOYPCVIIXXNG-UHFFFAOYSA-N
DG55299	"9-(3,4-Dimethoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	380099	"NSC665497; MLS002702162; Neuro_000392; 9-(3,4-Dimethoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one; CHEMBL1729036; NSC-665497; NCGC00161909-01; NCI60_022595; SMR001565726; Furo[3',6]pyrano[2,3-f]-1,3-benzodioxol-8-one, 6,9-dihydro-9-(3,4-dimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665497	.	.	.	.	368.3	C20H16O7	72.4	632	2.7	27	0	7	3	"InChI=1S/C20H16O7/c1-22-12-4-3-10(5-14(12)23-2)18-11-6-15-16(26-9-25-15)7-13(11)27-17-8-24-20(21)19(17)18/h3-7,18H,8-9H2,1-2H3"	COC1=C(C=C(C=C1)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4)OC	BXXNCWIVUYZMST-UHFFFAOYSA-N
DG55300	"9-(4-Chlorophenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	380100	"NSC665498; MLS002702163; 9-(4-Chlorophenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one; CHEMBL1895238; NSC-665498; NCI60_022596; SMR001565727"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665498	.	.	.	.	342.7	C18H11ClO5	54	568	3.4	24	0	5	1	"InChI=1S/C18H11ClO5/c19-10-3-1-9(2-4-10)16-11-5-13-14(23-8-22-13)6-12(11)24-15-7-21-18(20)17(15)16/h1-6,16H,7-8H2"	C1C2=C(C(C3=CC4=C(C=C3O2)OCO4)C5=CC=C(C=C5)Cl)C(=O)O1	KHHRSFKKJMBBNW-UHFFFAOYSA-N
DG55301	"9-(2,3-Dimethoxyphenyl)-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	380101	"NSC665499; 9-(2,3-Dimethoxyphenyl)-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one; (2,3-dimethoxyphenyl)[ ]one; CHEMBL1986809; NSC-665499; NCI60_022597"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665499	.	.	.	.	370.4	C20H18O7	72.4	569	2.8	27	0	7	3	"InChI=1S/C20H18O7/c1-22-12-5-3-4-10(19(12)23-2)17-11-6-14-15(26-9-25-14)7-13(11)27-16-8-24-20(21)18(16)17/h3-7,16-18H,8-9H2,1-2H3"	COC1=CC=CC(=C1OC)C2C3C(COC3=O)OC4=CC5=C(C=C24)OCO5	NUCFVLUQYPWOTM-UHFFFAOYSA-N
DG55302	"4-(5a-Methoxy-8-oxo-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-9-yl)-2,6-dimethoxyphenyl acetate"	380102	"NSC665500; 4-(5a-Methoxy-8-oxo-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-9-yl)-2,6-dimethoxyphenyl acetate; Neuro_000393; CHEMBL2000469; SCHEMBL19419812; AKOS024419427; MCULE-6130723533; NSC-665500; NCI60_022598; [2,6-dimethoxy-4-[methoxy(oxo)[ ]yl]phenyl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665500	.	.	.	.	458.4	C23H22O10	108	746	2.4	33	0	10	6	"InChI=1S/C23H22O10/c1-11(24)32-21-17(26-2)5-12(6-18(21)27-3)19-13-7-15-16(31-10-30-15)8-14(13)33-23(28-4)9-29-22(25)20(19)23/h5-8,19-20H,9-10H2,1-4H3"	CC(=O)OC1=C(C=C(C=C1OC)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)OC)OC	NCPWTKPCODRISL-UHFFFAOYSA-N
DG55303	"N-(2-(6,8-Dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)pentopyranosylamine"	380115	"NSC665517; MLS002702164; NSC665515; NSC-665517; CHEMBL1733147; NSC-665515; N-(2-(6,8-Dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)pentopyranosylamine; NCI60_022604; NCI60_022606; SMR001565728; Quinazolin-4(3H)-one,8-dibromo-2-methyl- 3-[2-(D-xylosylamino)phenyl]-; Quinazolin-4(3H)-one, 6,8-dibromo-2-methyl- {3-[2-(D-xylosylamino)phenyl]-}; 6,8-dibromo-2-methyl-3-[2-[(3,4,5-trihydroxytetrahydropyran-2-yl)amino]phenyl]quinazolin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665517	.	.	.	.	541.2	C20H19Br2N3O5	115	683	1.7	30	4	7	3	"InChI=1S/C20H19Br2N3O5/c1-9-23-16-11(6-10(21)7-12(16)22)20(29)25(9)14-5-3-2-4-13(14)24-19-18(28)17(27)15(26)8-30-19/h2-7,15,17-19,24,26-28H,8H2,1H3"	CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=CC=CC=C3NC4C(C(C(CO4)O)O)O	GHFJZNGBIKFXKG-UHFFFAOYSA-N
DG55304	"6-chloro-1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline"	380120	"NSC665522; CHEMBL1999805; 6-chloro-1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline; NSC-665522; NCI60_022611; 6-Chloro-1-((2-(hydroxy(oxido)amino)phenyl)sulfonyl)-1,2,3,4-tetrahydroquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665522	.	.	.	.	352.8	C15H13ClN2O4S	91.6	545	3.5	23	0	5	2	"InChI=1S/C15H13ClN2O4S/c16-12-7-8-13-11(10-12)4-3-9-17(13)23(21,22)15-6-2-1-5-14(15)18(19)20/h1-2,5-8,10H,3-4,9H2"	C1CC2=C(C=CC(=C2)Cl)N(C1)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]	MDAGIVJINNGDMN-UHFFFAOYSA-N
DG55305	"6-methoxy-1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline"	380121	"NSC665523; CHEMBL2002661; 6-methoxy-1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline; NSC-665523; NCI60_022612; 1-((2-(Hydroxy(oxido)amino)phenyl)sulfonyl)-6-methoxy-1,2,3,4-tetrahydroquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665523	.	.	.	.	348.4	C16H16N2O5S	101	556	2.8	24	0	6	3	"InChI=1S/C16H16N2O5S/c1-23-13-8-9-14-12(11-13)5-4-10-17(14)24(21,22)16-7-3-2-6-15(16)18(19)20/h2-3,6-9,11H,4-5,10H2,1H3"	COC1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]	BKUZKGPCPASDBA-UHFFFAOYSA-N
DG55306	"6-chloro-1-(4-chloro-2-nitro-phenyl)sulfonyl-3,4-dihydro-2H-quinoline"	380122	"NSC665524; CHEMBL1988836; NSC-665524; NCI60_022613; 6-chloro-1-(4-chloro-2-nitro-phenyl)sulfonyl-3,4-dihydro-2H-quinoline; 6-Chloro-1-((4-chloro-2-(hydroxy(oxido)amino)phenyl)sulfonyl)-1,2,3,4-tetrahydroquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665524	.	.	.	.	387.2	C15H12Cl2N2O4S	91.6	577	4.1	24	0	5	2	"InChI=1S/C15H12Cl2N2O4S/c16-11-3-5-13-10(8-11)2-1-7-18(13)24(22,23)15-6-4-12(17)9-14(15)19(20)21/h3-6,8-9H,1-2,7H2"	C1CC2=C(C=CC(=C2)Cl)N(C1)S(=O)(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]	UZUBWOXRZMDGLN-UHFFFAOYSA-N
DG55307	"6,7-Dibromo-3-(bromomethyl)-2,3-dichloro-7-methyloct-1-ene"	380127	NSC665533; CHEMBL2004388; NSC-665533; NCI60_022618	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665533	.	.	.	.	445.8	C10H15Br3Cl2	0	231	5.4	15	0	0	6	"InChI=1S/C10H15Br3Cl2/c1-7(14)10(15,6-11)5-4-8(12)9(2,3)13/h8H,1,4-6H2,2-3H3"	CC(C)(C(CCC(CBr)(C(=C)Cl)Cl)Br)Br	IMLDFYLIYLKGGB-UHFFFAOYSA-N
DG55308	Azoxydapsone	380146	"Azoxydapsone; 35040-12-1; UNII-8Z632FNN6D; 8Z632FNN6D; [4-(4-aminophenyl)sulfonylphenyl]-[4-(4-aminophenyl)sulfonylphenyl]imino-oxidoazanium; NSC665549; 4-({4-[(z)-{4-[(4-aminophenyl)sulfonyl]phenyl}-nno-azoxy]phenyl}sulfonyl)aniline; CHEMBL1967332; AKOS030254223; NSC 665549; NSC-665549; NCI60_022624; Q27271226; 1,2-Bis(4-(4'-aminophenylsulfonylphenyl))diazine-1-oxide; Benzenamine, 4,4'-(azoxybis(4,1-phenylenesulfonyl))bis-; Azoxydapsone {1,2-bis-[4-(4'-aminophenylsulfonylphenyl)]- diazine-1-oxide}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665549	.	.	.	.	508.6	C24H20N4O5S2	178	927	3.4	35	2	8	6	"InChI=1S/C24H20N4O5S2/c25-17-1-9-21(10-2-17)34(30,31)23-13-5-19(6-14-23)27-28(29)20-7-15-24(16-8-20)35(32,33)22-11-3-18(26)4-12-22/h1-16H,25-26H2"	C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N=[N+](C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N)[O-]	SMEWQWPADHSEIL-UHFFFAOYSA-N
DG55309	"1-(6-Bromo-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone"	380161	NSC665564; SCHEMBL763427; CHEMBL2000628; NCS-665564; NSC-665564; NCI60_022625	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665564	.	.	.	.	369.3	C19H17BrN2O	36.1	451	3.8	23	1	1	1	"InChI=1S/C19H17BrN2O/c1-12(23)22-10-9-15-16-11-14(20)7-8-17(16)21-18(15)19(22)13-5-3-2-4-6-13/h2-8,11,19,21H,9-10H2,1H3"	CC(=O)N1CCC2=C(C1C3=CC=CC=C3)NC4=C2C=C(C=C4)Br	CBMFCUHTQKAALP-UHFFFAOYSA-N
DG55310	"6,13-Dibromotricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene-15,16-diol"	380163	"NSC665601; dibromo[ ]diol; CHEMBL1982879; NSC-665601; NCI60_022627; 6,13-Dibromotricyclo[9.3.1.1~4,8~]hexadeca-1(15),4(16),5,7,11,13-hexaene-15,16-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665601	.	.	.	.	398.09	C16H14Br2O2	40.5	278	5.1	20	2	2	0	"InChI=1S/C16H14Br2O2/c17-13-5-9-1-2-10-6-14(18)8-12(16(10)20)4-3-11(7-13)15(9)19/h5-8,19-20H,1-4H2"	C1CC2=CC(=CC(=C2O)CCC3=C(C1=CC(=C3)Br)O)Br	YMAXHDXZPZXROO-UHFFFAOYSA-N
DG55311	"Methyl 6-(3-hydroxypropyl)-2-imino-4-undecyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate"	380164	"NSC665602; MLS002702165; Methyl 6-(3-hydroxypropyl)-2-imino-4-undecyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate; CHEMBL1884782; NSC-665602; NCI60_022628; Pyrimidine-5-carboxylic acid,4-dihydro-6-(3-hydroxypropyl)-, methyl ester; methyl 6-(3-hydroxypropyl)-2-imino-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665602	.	.	.	.	367.5	C20H37N3O3	96.9	475	4.2	26	3	4	15	"InChI=1S/C20H37N3O3/c1-3-4-5-6-7-8-9-10-11-13-16-18(19(25)26-2)17(14-12-15-24)23-20(21)22-16/h16,24H,3-15H2,1-2H3,(H3,21,22,23)"	CCCCCCCCCCCC1C(=C(NC(=N1)N)CCCO)C(=O)OC	BWFIOIDJTVTWPS-UHFFFAOYSA-N
DG55312	"Methyl 3-dodecyl-1-imino-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-4-carboxylate"	380165	"NSC665603; Methyl 3-dodecyl-1-imino-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-4-carboxylate; CHEMBL1965797; NSC-665603; NCI60_022629; methyl 3-dodecyl-1-imino-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665603	.	.	.	.	363.5	C21H37N3O2	67.9	513	5.4	26	1	3	13	"InChI=1S/C21H37N3O2/c1-3-4-5-6-7-8-9-10-11-12-14-17-19(20(25)26-2)18-15-13-16-24(18)21(22)23-17/h17H,3-16H2,1-2H3,(H2,22,23)"	CCCCCCCCCCCCC1C(=C2CCCN2C(=N1)N)C(=O)OC	AFFVUZCIAPPPEI-UHFFFAOYSA-N
DG55313	"Methyl 9-dodecyl-7-imino-1-oxa-6,8-diazaspiro[4.5]decane-10-carboxylate"	380166	"NSC665604; Methyl 9-dodecyl-7-imino-1-oxa-6,8-diazaspiro[4.5]decane-10-carboxylate; CHEMBL2002788; NSC-665604; NCI60_022630; methyl 7-dodecyl-9-imino-4-oxa-8,10-diazaspiro[4.5]decane-6-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665604	.	.	.	.	381.6	C21H39N3O3	85.9	483	5	27	2	4	13	"InChI=1S/C21H39N3O3/c1-3-4-5-6-7-8-9-10-11-12-14-17-18(19(25)26-2)21(15-13-16-27-21)24-20(22)23-17/h17-18H,3-16H2,1-2H3,(H3,22,23,24)"	CCCCCCCCCCCCC1C(C2(CCCO2)NC(=N1)N)C(=O)OC	HTSPYIJSTBNFAM-UHFFFAOYSA-N
DG55314	"methyl 2-(6-methoxy-6-methyl-3H-1,2-dioxin-3-yl)acetate"	380167	"NSC665605; CHEMBL1968956; methyl 2-(6-methoxy-6-methyl-3H-1,2-dioxin-3-yl)acetate; Methyl (6-methoxy-6-methyl-3,6-dihydro-1,2-dioxin-3-yl)acetate; NSC-665605; NCI60_022631"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665605	.	.	.	.	202.2	C9H14O5	54	237	0.4	14	0	5	4	"InChI=1S/C9H14O5/c1-9(12-3)5-4-7(13-14-9)6-8(10)11-2/h4-5,7H,6H2,1-3H3"	CC1(C=CC(OO1)CC(=O)OC)OC	MLWTVQDCBPSJKF-UHFFFAOYSA-N
DG55315	CID 380170	380170	NSC665614; CCG-36137; NSC-78589; AKOS015913164; NSC-665614	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665614	.	.	.	.	708.6	C44H38BrP2+	0	697	.	47	0	1	10	"InChI=1S/C44H38P2.BrH/c1-7-23-39(24-8-1)45(40-25-9-2-10-26-40,41-27-11-3-12-28-41)35-37-21-19-20-22-38(37)36-46(42-29-13-4-14-30-42,43-31-15-5-16-32-43)44-33-17-6-18-34-44;/h1-34H,35-36H2;1H/q+2;/p-1"	C1=CC=C(C=C1)[P+](CC2=CC=CC=C2C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-]	LJOZNYFRWWZJIL-UHFFFAOYSA-M
DG55316	"1,4-Ethano-5,8-methanonaphthalene-4a,8a-dicarboxylic acid, octahydro-"	380172	"NSC665615; 1,4-Ethano-5,8-methanonaphthalene-4a,8a-dicarboxylic acid, octahydro-; CHEMBL1970858; NSC-665615; NCI60_022635"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665615	.	.	.	.	264.32	C15H20O4	74.6	423	2.9	19	2	4	2	"InChI=1S/C15H20O4/c16-12(17)14-8-1-2-9(4-3-8)15(14,13(18)19)11-6-5-10(14)7-11/h8-11H,1-7H2,(H,16,17)(H,18,19)"	C1CC2CCC1C3(C2(C4CCC3C4)C(=O)O)C(=O)O	QFVWZVKEPRXVKZ-UHFFFAOYSA-N
DG55317	"Cyclohexanone, 2,6-bis[(1-pyrrolidinyl)methyl]-, dihydrochloride"	380174	"MLS002702812; NSC665622; Cyclohexanone, 2,6-bis[(1-pyrrolidinyl)methyl]-, dihydrochloride; CHEMBL1892659; NSC-665622; SMR001566641; Cyclohexanone,6-bis[(1-pyrrolidinyl)methyl]-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665622	.	.	.	.	300.9	C16H29ClN2O	23.6	278	.	20	1	3	4	"InChI=1S/C16H28N2O.ClH/c19-16-14(12-17-8-1-2-9-17)6-5-7-15(16)13-18-10-3-4-11-18;/h14-15H,1-13H2;1H"	C1CCN(C1)CC2CCCC(C2=O)CN3CCCC3.Cl	LDTHEELDCAJOJP-UHFFFAOYSA-N
DG55318	"1-[2-[1-[2,2-Dimethyl-6-(2-undecoxyethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy]ethyl]pyrrolidine"	380196	NSC665640; CHEMBL1973459; NSC-665640; NCI60_022647	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665640	.	.	.	.	483.7	C28H53NO5	49.4	539	6.7	34	0	6	18	"InChI=1S/C28H53NO5/c1-5-6-7-8-9-10-11-12-15-20-30-21-16-24-25(32-27-26(24)33-28(3,4)34-27)23(2)31-22-19-29-17-13-14-18-29/h23-27H,5-22H2,1-4H3"	CCCCCCCCCCCOCCC1C2C(OC1C(C)OCCN3CCCC3)OC(O2)(C)C	VMTBRZJXPPDZHJ-UHFFFAOYSA-N
DG55319	"1-[2-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]ethyl]piperidine"	380197	NSC665659; CHEMBL1999328; NSC-665659; NCI60_022648	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665659	.	.	.	.	469.7	C27H51NO5	49.4	511	6.6	33	0	6	17	"InChI=1S/C27H51NO5/c1-4-5-6-7-8-9-10-11-12-16-20-30-24-23(31-26-25(24)32-27(2,3)33-26)22-29-21-19-28-17-14-13-15-18-28/h23-26H,4-22H2,1-3H3"	CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)COCCN3CCCCC3	MWWWIYIITXUMNM-UHFFFAOYSA-N
DG55320	"3-Methyl-5-((2,3,4,5,6-pentafluorophenyl)(2,3,5,6-tetrafluoro-4-((3-methyl-5-isoxazolyl)methyl)phenyl)methyl)isoxazole"	380224	"NSC665700; 3-Methyl-5-((2,3,4,5,6-pentafluorophenyl)(2,3,5,6-tetrafluoro-4-((3-methyl-5-isoxazolyl)methyl)phenyl)methyl)isoxazole; CHEMBL1979008; NSC-665700; NCI60_022687; 3-methyl-5-[(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-[(3-methylisoxazol-5-yl)methyl]phenyl]methyl]isoxazole; 5-[(Pentafluorophenyl)[2,3,5,6-tetrafluoro-4-[(3-methylisoxazol-5-yl)methyl]phenyl]methyl]-3-methylisoxazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665700	.	.	.	.	506.3	C22H11F9N2O2	52.1	696	5.9	35	0	13	5	"InChI=1S/C22H11F9N2O2/c1-6-3-8(34-32-6)5-9-14(23)16(25)12(17(26)15(9)24)11(10-4-7(2)33-35-10)13-18(27)20(29)22(31)21(30)19(13)28/h3-4,11H,5H2,1-2H3"	CC1=NOC(=C1)CC2=C(C(=C(C(=C2F)F)C(C3=CC(=NO3)C)C4=C(C(=C(C(=C4F)F)F)F)F)F)F	AFLQRFOTAXTUTJ-UHFFFAOYSA-N
DG55321	5-Chroman-6-yl-2-(4-pyridyl)oxazole	380226	"NSC665702; CHEMBL1998257; 5-chroman-6-yl-2-(4-pyridyl)oxazole; NSC-665702; NCI60_022689; 2-(4-Pyridyl)-5-[(3,4-dihydro-2H-1-benzopyran)-6-yl]oxazole; 4-(5-(3,4-Dihydro-2H-chromen-6-yl)-1,3-oxazol-2-yl)pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665702	.	.	.	.	278.3	C17H14N2O2	48.2	346	3	21	0	4	2	"InChI=1S/C17H14N2O2/c1-2-13-10-14(3-4-15(13)20-9-1)16-11-19-17(21-16)12-5-7-18-8-6-12/h3-8,10-11H,1-2,9H2"	C1CC2=C(C=CC(=C2)C3=CN=C(O3)C4=CC=NC=C4)OC1	SMLFTTRGZDHBIC-UHFFFAOYSA-N
DG55322	"4-(2-(3,4-Dihydro-2H-chromen-6-yl)-1,3-oxazol-5-yl)pyridine"	380228	"NSC665704; 4-(2-(3,4-Dihydro-2H-chromen-6-yl)-1,3-oxazol-5-yl)pyridine; SCHEMBL4882195; CHEMBL1988556; ZINC13222958; 2-chroman-6-yl-5-(4-pyridyl)oxazole; NSC-665704; NCI60_022691"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665704	.	.	.	.	278.3	C17H14N2O2	48.2	346	3	21	0	4	2	"InChI=1S/C17H14N2O2/c1-2-13-10-14(3-4-15(13)20-9-1)17-19-11-16(21-17)12-5-7-18-8-6-12/h3-8,10-11H,1-2,9H2"	C1CC2=C(C=CC(=C2)C3=NC=C(O3)C4=CC=NC=C4)OC1	RCUOEARNYAXURR-UHFFFAOYSA-N
DG55323	"3-(2-Oxo-1-(1-(4-oxo-3,3-diphenylhexyl)-4-piperidinyl)-2,3-dihydro-1H-indol-3-yl)propanenitrile"	380233	"NSC665710; 3-(2-Oxo-1-(1-(4-oxo-3,3-diphenylhexyl)-4-piperidinyl)-2,3-dihydro-1H-indol-3-yl)propanenitrile; CHEMBL2002523; NSC-665710; NCI60_022696; 3-[2-oxo-1-[1-(4-oxo-3,3-diphenyl-hexyl)-4-piperidyl]indolin-3-yl]propanenitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665710	.	.	.	.	519.7	C34H37N3O2	64.4	854	5.3	39	0	4	10	"InChI=1S/C34H37N3O2/c1-2-32(38)34(26-12-5-3-6-13-26,27-14-7-4-8-15-27)21-25-36-23-19-28(20-24-36)37-31-18-10-9-16-29(31)30(33(37)39)17-11-22-35/h3-10,12-16,18,28,30H,2,11,17,19-21,23-25H2,1H3"	CCC(=O)C(CCN1CCC(CC1)N2C3=CC=CC=C3C(C2=O)CCC#N)(C4=CC=CC=C4)C5=CC=CC=C5	APTBROYJIPBUOM-UHFFFAOYSA-N
DG55324	3-Phenyl-3-(3-(1-piperidinyl)propyl)-2-oxaspiro[4.4]nonan-1-one	380240	NSC665719; 3-Phenyl-3-(3-(1-piperidinyl)propyl)-2-oxaspiro[4.4]nonan-1-one; CHEMBL1975437; NSC-665719; NCI60_022705; 7-phenyl-7-[3-(1-piperidyl)propyl]-8-oxaspiro[4.4]nonan-9-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665719	.	.	.	.	341.5	C22H31NO2	29.5	459	4.6	25	0	3	5	"InChI=1S/C22H31NO2/c24-20-21(12-5-6-13-21)18-22(25-20,19-10-3-1-4-11-19)14-9-17-23-15-7-2-8-16-23/h1,3-4,10-11H,2,5-9,12-18H2"	C1CCN(CC1)CCCC2(CC3(CCCC3)C(=O)O2)C4=CC=CC=C4	NSFNYNUCADHZSX-UHFFFAOYSA-N
DG55325	"1-Methyl-3-piperidinyl 2-(1,3-cyclohexadien-1-yl)-2-hydroxy-3-pentynoate"	380244	"NSC665724; 1-Methyl-3-piperidinyl 2-(1,3-cyclohexadien-1-yl)-2-hydroxy-3-pentynoate; CHEMBL1966507; NSC-665724; NCI60_022709; (1-methyl-3-piperidyl) 2-cyclohexa-1,3-dien-1-yl-2-hydroxy-pent-3-ynoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665724	.	.	.	.	289.4	C17H23NO3	49.8	523	2.2	21	1	4	5	"InChI=1S/C17H23NO3/c1-3-11-17(20,14-8-5-4-6-9-14)16(19)21-15-10-7-12-18(2)13-15/h4-5,8,15,20H,6-7,9-10,12-13H2,1-2H3"	CC#CC(C1=CC=CCC1)(C(=O)OC2CCCN(C2)C)O	OJQQONOUYPXIHS-UHFFFAOYSA-N
DG55326	"Spiro[3H-indole-3,5'(4'H)-isoxazol]-2(1H)-one, 3'-methyl-"	380253	"NSC665733; CHEMBL1971052; Spiro[3H-indole-3,5'(4'H)-isoxazol]-2(1H)-one, 3'-methyl-; NSC-665733; NCI60_022717; 3-methylspiro[4H-isoxazole-5,3'-indoline]-2'-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665733	.	.	.	.	202.21	C11H10N2O2	50.7	340	0.6	15	1	3	0	"InChI=1S/C11H10N2O2/c1-7-6-11(15-13-7)8-4-2-3-5-9(8)12-10(11)14/h2-5H,6H2,1H3,(H,12,14)"	CC1=NOC2(C1)C3=CC=CC=C3NC2=O	LNIJOLZBHHLEMQ-UHFFFAOYSA-N
DG55327	"8-Benzyl-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-4-one"	380263	"NSC665741; 8-Benzyl-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-4-one; CHEMBL1970818; 8-benzyl-4-phenyl-2-oxa-4,8-diazaspiro[4.5]decan-1-one; NSC-665741; NCI60_022725"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665741	.	.	.	.	322.4	C20H22N2O2	32.8	433	3.7	24	0	4	3	"InChI=1S/C20H22N2O2/c23-19-20(22(16-24-19)18-9-5-2-6-10-18)11-13-21(14-12-20)15-17-7-3-1-4-8-17/h1-10H,11-16H2"	C1CN(CCC12C(=O)OCN2C3=CC=CC=C3)CC4=CC=CC=C4	KEAGWICSOSRQCS-UHFFFAOYSA-N
DG55328	3-Phenyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ol	380280	"NSC665759; 101858-24-6; 3-Phenyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ol; 8-phenethyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol; 3-Nortropanol, 8-phenethyl-3-phenyl-; 8-(2-Phenylethyl)-3-phenyl-3-nortropanol; CHEMBL1978023; DTXSID00906755; NSC-665759; NCI60_022742"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665759	.	.	.	.	307.4	C21H25NO	23.5	369	4	23	1	2	4	"InChI=1S/C21H25NO/c23-21(18-9-5-2-6-10-18)15-19-11-12-20(16-21)22(19)14-13-17-7-3-1-4-8-17/h1-10,19-20,23H,11-16H2"	C1CC2CC(CC1N2CCC3=CC=CC=C3)(C4=CC=CC=C4)O	GCNACBRBJGYUFP-UHFFFAOYSA-N
DG55329	2-Hydroxy-2-isopropyl-3-pentynoic acid 3-quinuclidinyl ester	380281	"101931-78-6; NSC665761; 3-Quinuclidyl isopropyl(1-propynyl)glycolate B; 3-Quinuclidyl isopropyl(1-propynyl)glycolate A; 2-Hydroxy-2-isopropyl-3-pentynoic acid 3-quinuclidinyl ester; 1-Azabicyclo[2.2.2]oct-3-yl 2-hydroxy-2-isopropyl-3-pentynoate; 3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 3-quinuclidinyl ester; CHEMBL1985162; DTXSID70906848; NSC-665761; NCI60_022744; quinuclidin-3-yl 2-hydroxy-2-isopropyl-pent-3-ynoate; 2-Hydroxy-2-isopropyl-3-pentynoic acid quinuclidin-3-yl ester; 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-(propan-2-yl)pent-3-ynoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665761	.	.	.	.	265.35	C15H23NO3	49.8	412	2.1	19	1	4	5	"InChI=1S/C15H23NO3/c1-4-7-15(18,11(2)3)14(17)19-13-10-16-8-5-12(13)6-9-16/h11-13,18H,5-6,8-10H2,1-3H3"	CC#CC(C(C)C)(C(=O)OC1CN2CCC1CC2)O	PIQGPSJRLJWWML-UHFFFAOYSA-N
DG55330	"8-(4-Hydroxy-4,4-diphenylbutyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol"	380284	"NSC665764; 101858-22-4; 8-(4-Hydroxy-4,4-diphenylbutyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol; 8-(4,4-Diphenyl-4-hydroxybutyl)-3-phenyl-3-nortropanol; 3-Nortropanol, 8-(4,4-diphenyl-4-hydroxybutyl)-3-phenyl-; CHEMBL1973065; DTXSID80906753; NSC-665764; NCI60_022747; 8-(4,4-Diphenyl-4-hydroxybutyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol; 8-(4-hydroxy-4,4-diphenyl-butyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665764	.	.	.	.	427.6	C29H33NO2	43.7	556	5.1	32	2	3	7	"InChI=1S/C29H33NO2/c31-28(23-11-4-1-5-12-23)21-26-17-18-27(22-28)30(26)20-10-19-29(32,24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16,26-27,31-32H,10,17-22H2"	C1CC2CC(CC1N2CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O)(C5=CC=CC=C5)O	WVYHWXIPRDZZRF-UHFFFAOYSA-N
DG55331	"2,8-Diazaspiro(4.5)decane-1,3-dione, 8-(3-(p-fluorobenzoyl)propyl)-2-(hexahydro-1H-azepin-1-yl)-"	380292	"NSC665773; 101607-45-8; 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-(3-(p-fluorobenzoyl)propyl)-2-(hexahydro-1H-azepin-1-yl)-; 2-(1-Azepanyl)-8-(4-(4-fluorophenyl)-4-oxobutyl)-2,8-diazaspiro[4.5]decane-1,3-dione; 8-(3-p-Fluorobenzoylpropyl)-2-(1-hexahydroazepinyl)-2,8-diazaspiro(4.5)decane-1,3-dione; CHEMBL1986854; DTXSID40144058; ZINC1641770; NSC-665773; NCI60_022756; 3-(azepan-1-yl)-8-[4-(4-fluorophenyl)-4-oxo-butyl]-3,8-diazaspiro[4.5]decane-2,4-dione; 8-[3-(p-Fluorobenzoyl)propyl]-2-(hexahydro-1H-azepin-1-yl)-2,8-diazaspiro[4.5]decane-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665773	.	.	.	.	429.5	C24H32FN3O3	60.9	661	2.7	31	0	6	6	"InChI=1S/C24H32FN3O3/c25-20-9-7-19(8-10-20)21(29)6-5-13-26-16-11-24(12-17-26)18-22(30)28(23(24)31)27-14-3-1-2-4-15-27/h7-10H,1-6,11-18H2"	C1CCCN(CC1)N2C(=O)CC3(C2=O)CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F	ALGMMJAQGMCYIY-UHFFFAOYSA-N
DG55332	"8-(3-(2-(4-Fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol"	380293	"NSC665774; 8-(3-(2-(4-Fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol; 8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol; CHEMBL1987270; NSC-665774; NCI60_022757"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665774	.	.	.	.	411.5	C25H30FNO3	41.9	553	3.8	30	1	5	6	"InChI=1S/C25H30FNO3/c26-21-9-7-20(8-10-21)25(29-15-16-30-25)13-4-14-27-22-11-12-23(27)18-24(28,17-22)19-5-2-1-3-6-19/h1-3,5-10,22-23,28H,4,11-18H2"	C1CC2CC(CC1N2CCCC3(OCCO3)C4=CC=C(C=C4)F)(C5=CC=CC=C5)O	FBUQIOZUBBLBJP-UHFFFAOYSA-N
DG55333	1-Allyl-4-piperidyl cyclopentyl(1-propynyl)glycolate	380296	"NSC665777; 101932-10-9; 1-Allyl-4-piperidyl cyclopentyl(1-propynyl)glycolate; 1-Allyl-4-piperidinyl 2-cyclopentyl-2-hydroxy-3-pentynoate; Cyclopentaneglycolic acid, alpha-(1-propynyl)-, 1-allyl-4-piperidyl ester; CHEMBL1985693; DTXSID10906867; NSC-665777; NCI60_022760; (1-allyl-4-piperidyl) 2-cyclopentyl-2-hydroxy-pent-3-ynoate; 1-(Prop-2-en-1-yl)piperidin-4-yl 2-cyclopentyl-2-hydroxypent-3-ynoate; alpha-(1-Propynyl)-alpha-hydroxycyclopentaneacetic acid 1-allyl-4-piperidyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665777	.	.	.	.	305.4	C18H27NO3	49.8	461	3.2	22	1	4	7	"InChI=1S/C18H27NO3/c1-3-11-18(21,15-7-5-6-8-15)17(20)22-16-9-13-19(12-4-2)14-10-16/h4,15-16,21H,2,5-10,12-14H2,1H3"	CC#CC(C1CCCC1)(C(=O)OC2CCN(CC2)CC=C)O	KFAKSXHFDZBAHZ-UHFFFAOYSA-N
DG55334	"8-(1,4-Benzodioxan-2-ylmethyl)-3-ethyl-4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decane"	380307	"NSC665788; 102395-47-1; 8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1,4-benzodioxan-2-ylmethyl)-3-ethyl-1-phenyl-; 8-(1,4-Benzodioxan-2-ylmethyl)-3-ethyl-4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decane; CHEMBL1965300; DTXSID50907459; NSC-665788; 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-ethyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one; NCI60_022770; 8-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665788	.	.	.	.	407.5	C24H29N3O3	45.2	601	3.7	30	0	5	4	"InChI=1S/C24H29N3O3/c1-2-26-18-27(19-8-4-3-5-9-19)24(23(26)28)12-14-25(15-13-24)16-20-17-29-21-10-6-7-11-22(21)30-20/h3-11,20H,2,12-18H2,1H3"	CCN1CN(C2(C1=O)CCN(CC2)CC3COC4=CC=CC=C4O3)C5=CC=CC=C5	RCKWQESNRPYDDB-UHFFFAOYSA-N
DG55335	"Didemnin A, N-L-prolyl-2-L-allothreonine"	380319	"NSC665803; NSC-665803; NCI60_022785; Didemnin A, N-L-prolyl-2-L-allothreonine; L-Tyrosine,5-dimethyl-1,3-dioxohexyl]-L-leucyl]-L-prolyl]-N,O-dimethyl-, .phi.-lactone; 15H-Pyrrolo[2,15,4,7,10,20] dioxatetraazacyclotricosine-1,4,8,13,16,18,21-heptaone, docosahydro-11-hydroxy-3-[(4-methoxyphenyl)methyl]- 2,6,17-trimethyl-15-(methylethyl)-10-(1-methylpropyl)- 20-(2-methylpropyl)-7-[[N-methyl-N-prolylleucyl]amino]-,stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665803	.	.	.	.	1040.3	C54H85N7O13	259	1960	5.9	74	5	14	14	"InChI=1S/C54H85N7O13/c1-14-32(8)44-42(62)28-43(63)74-47(31(6)7)46(64)33(9)48(65)56-38(25-29(2)3)52(69)61-24-16-18-39(61)53(70)60(12)41(27-35-19-21-36(72-13)22-20-35)54(71)73-34(10)45(50(67)57-44)58-49(66)40(26-30(4)5)59(11)51(68)37-17-15-23-55-37/h19-22,29-34,37-42,44-45,47,55,62H,14-18,23-28H2,1-13H3,(H,56,65)(H,57,67)(H,58,66)/t32 ,33 ,34 ,37-,38-,39-,40 ,41-,42 ,44 ,45 ,47-/m0/s1"	CCC(C)C1C(CC(=O)O[C@H](C(=O)C(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)[C@@H]3CCCN3)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O	MMUFNCTVUTWOJE-LKZKYIBOSA-N
DG55336	NSC665804	380320	"(2S)-N-[1-[[(3S,8S,20S,23S)-13-butan-2-yl-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methyl-2,5-dihydropyrrole-2-carboxamide; NSC665804; NSC-665804; NCI60_022786"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665804	.	.	.	.	1110.3	C57H87N7O15	288	2200	5.5	79	5	15	15	"InChI=1S/C57H87N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h16,18,20-23,30-36,39-44,46-47,49,65-66H,15,17,19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33 ,34 ,35-,36 ,39-,40-,41-,42 ,43-,44 ,46 ,47 ,49-/m0/s1"	CCC(C)C1C(CC(=O)O[C@H](C(=O)C(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)[C@@H]3C=CCN3C(=O)[C@H](C)O)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O	SDFIROAOIOUHKX-BRNRUIPFSA-N
DG55337	Unk-xiHyp-DL-N(Me)Leu-DL-xiThr(1)-Unk-Leu-Pro-N(Me)Tyr(Me)-(1)	380321	NSC665805; NSC-665805; NCI60_022787	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665805	.	.	.	.	1128.4	C57H89N7O16	308	2190	4.6	80	6	16	15	"InChI=1S/C57H89N7O16/c1-15-32(8)46-44(67)27-45(68)80-49(31(6)7)48(69)33(9)50(70)58-39(23-29(2)3)54(74)63-22-16-17-40(63)55(75)62(13)43(25-36-18-20-38(78-14)21-19-36)57(77)79-35(11)47(52(72)59-46)60-51(71)41(24-30(4)5)61(12)56(76)42-26-37(66)28-64(42)53(73)34(10)65/h18-21,29-35,37,39-44,46-47,49,65-67H,15-17,22-28H2,1-14H3,(H,58,70)(H,59,72)(H,60,71)/t32 ,33 ,34-,35 ,37 ,39-,40-,41 ,42-,43-,44 ,46 ,47 ,49-/m0/s1"	CCC(C)C1C(CC(=O)O[C@H](C(=O)C(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)[C@@H]3CC(CN3C(=O)[C@H](C)O)O)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O	RHKBSXYAXHKXEG-BBAJFZNZSA-N
DG55338	H-xiHyp-DL-N(Me)Leu-DL-xiThr(1)-Unk-Leu-Pro-N(Me)Tyr(Me)-(1)	380322	NSC665806; NSC-665806; NCI60_022788	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665806	.	.	.	.	1056.3	C54H85N7O14	280	2000	4.9	75	6	15	14	"InChI=1S/C54H85N7O14/c1-14-31(8)44-42(63)26-43(64)75-47(30(6)7)46(65)32(9)48(66)56-38(22-28(2)3)52(70)61-21-15-16-39(61)53(71)60(12)41(24-34-17-19-36(73-13)20-18-34)54(72)74-33(10)45(50(68)57-44)58-49(67)40(23-29(4)5)59(11)51(69)37-25-35(62)27-55-37/h17-20,28-33,35,37-42,44-45,47,55,62-63H,14-16,21-27H2,1-13H3,(H,56,66)(H,57,68)(H,58,67)/t31 ,32 ,33 ,35 ,37-,38-,39-,40 ,41-,42 ,44 ,45 ,47-/m0/s1"	CCC(C)C1C(CC(=O)O[C@H](C(=O)C(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)[C@@H]3CC(CN3)O)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O	DCKHYMCBBYLYHE-ZMRKGEOASA-N
DG55339	"2,3,12-Trimethoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine"	380329	"NSC665820; 2,3,12-Trimethoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine; CHEMBL1988484; NSC-665820; 2,3,12-trimethoxy-5,6,8,9,10,14b-hexahydroisoquinolino[1,2-a][2]benzazepine; NCI60_022796"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665820	.	.	.	.	339.4	C21H25NO3	30.9	445	3.8	25	0	4	3	"InChI=1S/C21H25NO3/c1-23-16-6-7-17-14(11-16)5-4-9-22-10-8-15-12-19(24-2)20(25-3)13-18(15)21(17)22/h6-7,11-13,21H,4-5,8-10H2,1-3H3"	COC1=CC2=C(C=C1)C3C4=CC(=C(C=C4CCN3CCC2)OC)OC	XCUJHGZDLPCNTA-UHFFFAOYSA-N
DG55340	2-[Hydroxy-[2-(naphthalene-2-carbonylamino)ethoxy]phosphoryl]oxyethyl-trimethyl-ammonium	380330	NSC665857; CHEMBL99161; BDBM50004498; NSC-665857; O-[2-(2-Naphthalenecarboxamido)ethyl] phosphocholine; 2-(2-Naphthoylamino)ethyl 2-(trimethyl-.lambda.~5~-azanyl)ethyl hydrogen phosphate; 2-[hydroxy-[2-(naphthalene-2-carbonylamino)ethoxy]phosphoryl]oxyethyl-trimethyl-ammonium	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665857	.	.	.	.	380.4	C18H25N2O5P	87.7	500	1.2	26	1	5	9	"InChI=1S/C18H25N2O5P/c1-20(2,3)11-13-25-26(22,23)24-12-10-19-18(21)17-9-8-15-6-4-5-7-16(15)14-17/h4-9,14H,10-13H2,1-3H3,(H-,19,21,22,23)"	C[N+](C)(C)CCOP(=O)([O-])OCCNC(=O)C1=CC2=CC=CC=C2C=C1	OKRAYHKBTSNJCG-UHFFFAOYSA-N
DG55341	"4-Piperidinecarboxylic acid, 4-hydroxy-1-methyl-, methyl ester, S-phenylthiocarbonate (ester)"	380347	"NSC665872; 102070-99-5; 4-Piperidinecarboxylic acid, 4-hydroxy-1-methyl-, methyl ester, S-phenylthiocarbonate (ester); O-4-(4-Methoxycarbonyl-1-methyl)piperidyl S-phenylthiocarbonate; Methyl 1-methyl-4-(((phenylthio)carbonyl)oxy)-4-piperidinecarboxylate; CHEMBL1998250; DTXSID80144572; ZINC1641823; NSC-665872; NCI60_022812; methyl 1-methyl-4-phenylsulfanylcarbonyloxy-piperidine-4-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665872	.	.	.	.	309.4	C15H19NO4S	81.1	374	2.9	21	0	6	6	"InChI=1S/C15H19NO4S/c1-16-10-8-15(9-11-16,13(17)19-2)20-14(18)21-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3"	CN1CCC(CC1)(C(=O)OC)OC(=O)SC2=CC=CC=C2	AFEAKHPNRXBSOT-UHFFFAOYSA-N
DG55342	"8-Benzyl-N-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide"	380361	"NSC665883; 8-Benzyl-N-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide; 54286-34-9; CHEMBL1970110; DTXSID80969323; 8-Benzyl-3-methylcarbamoyl-4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decane; 8-benzyl-N-methyl-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-2-carboxamide; NSC-665883; 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, 8-benzyl-N-methyl-4-oxo-1-phenyl-; NCI60_022823; 8-Benzyl-N-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboximidic acid; 1,3,8-Triazaspiro(4.5)decane-3-carboxamide, N-methyl-4-oxo-1-phenyl-8-(phenylmethyl)- (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665883	.	.	.	.	378.5	C22H26N4O2	55.9	561	3.5	28	1	4	3	"InChI=1S/C22H26N4O2/c1-23-21(28)25-17-26(19-10-6-3-7-11-19)22(20(25)27)12-14-24(15-13-22)16-18-8-4-2-5-9-18/h2-11H,12-17H2,1H3,(H,23,28)"	CNC(=O)N1CN(C2(C1=O)CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4	VBYHBBXVMHIHGB-UHFFFAOYSA-N
DG55343	"2-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hexyl-octanamide"	380384	"NSC665899; CHEMBL1978493; ZINC5782574; NSC-665899; NCI60_022839; 2-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hexyl-octanamide; Octanamide, 2-amino-N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hexyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665899	.	.	.	.	335.5	C20H37N3O	60	337	5.8	24	2	2	12	"InChI=1S/C20H37N3O/c1-5-7-9-11-15-20(21,16-12-10-8-6-2)19(24)22-23-17(3)13-14-18(23)4/h13-14H,5-12,15-16,21H2,1-4H3,(H,22,24)"	CCCCCCC(CCCCCC)(C(=O)NN1C(=CC=C1C)C)N	SYDFYTUGXOUCAB-UHFFFAOYSA-N
DG55344	(1-((5-Methoxy-1H-indol-3-yl)methyl)-4-phenyl-4-piperidinyl)methanol	380385	NSC665900; (1-((5-Methoxy-1H-indol-3-yl)methyl)-4-phenyl-4-piperidinyl)methanol; CHEMBL1991033; NSC-665900; NCI60_022840; [1-[(5-methoxy-1H-indol-3-yl)methyl]-4-phenyl-4-piperidyl]methanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665900	.	.	.	.	350.5	C22H26N2O2	48.5	443	3.4	26	2	3	5	"InChI=1S/C22H26N2O2/c1-26-19-7-8-21-20(13-19)17(14-23-21)15-24-11-9-22(16-25,10-12-24)18-5-3-2-4-6-18/h2-8,13-14,23,25H,9-12,15-16H2,1H3"	COC1=CC2=C(C=C1)NC=C2CN3CCC(CC3)(CO)C4=CC=CC=C4	NYVOMBGKIVNSQV-UHFFFAOYSA-N
DG55345	"12-((4-Methylphenyl)sulfonyl)-3-(phenylsulfonyl)-6,7,12,12b-tetrahydroindolo[2,3-a]quinolizin-4(1H)-one"	380393	"NSC665910; CHEMBL1965503; NSC-665910; 12-((4-Methylphenyl)sulfonyl)-3-(phenylsulfonyl)-6,7,12,12b-tetrahydroindolo[2,3-a]quinolizin-4(1H)-one; NCI60_022849; 3-(benzenesulfonyl)-12-(p-tolylsulfonyl)-1,6,7,12b-tetrahydroindolo[2,3-a]quinolizin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665910	.	.	.	.	532.6	C28H24N2O5S2	110	1120	4.6	37	0	5	4	"InChI=1S/C28H24N2O5S2/c1-19-11-13-21(14-12-19)37(34,35)30-24-10-6-5-9-22(24)23-17-18-29-25(27(23)30)15-16-26(28(29)31)36(32,33)20-7-3-2-4-8-20/h2-14,16,25H,15,17-18H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C4=C2C5CC=C(C(=O)N5CC4)S(=O)(=O)C6=CC=CC=C6	UYWQHCWSXJQJNB-UHFFFAOYSA-N
DG55346	8-fluoro-5-methyl-2-phenyl-1H-quinolin-4-one	380402	NSC665924; CHEMBL1988844; NSC-665924; NCI60_022854	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665924	.	.	.	.	253.27	C16H12FNO	29.1	386	3.7	19	1	3	1	"InChI=1S/C16H12FNO/c1-10-7-8-12(17)16-15(10)14(19)9-13(18-16)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19)"	CC1=C2C(=O)C=C(NC2=C(C=C1)F)C3=CC=CC=C3	LIHGUAYEIXREGY-UHFFFAOYSA-N
DG55347	"5,7-Dimethyl-2-phenylquinolin-4-ol"	380403	"5,7-dimethyl-2-phenylquinolin-4-ol; 1070879-75-2; 5,7-Dimethyl-4-hydroxy-2-phenylquinoline; NSC665925; CHEMBL1968863; DTXSID30327550; MFCD11505236; NSC-665925; NCI60_022855"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665925	.	.	.	.	249.31	C17H15NO	29.1	381	3.9	19	1	2	1	"InChI=1S/C17H15NO/c1-11-8-12(2)17-15(9-11)18-14(10-16(17)19)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,19)"	CC1=CC(=C2C(=C1)NC(=CC2=O)C3=CC=CC=C3)C	LWGDYKNQKDYFPS-UHFFFAOYSA-N
DG55348	"6,7-difluoro-2-phenyl-1H-quinolin-4-one"	380407	NSC665929; Neuro_000394; CHEMBL1997411; NSC-665929; NCI60_022859	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665929	.	.	.	.	257.23	C15H9F2NO	29.1	390	3.4	19	1	4	1	"InChI=1S/C15H9F2NO/c16-11-6-10-14(7-12(11)17)18-13(8-15(10)19)9-4-2-1-3-5-9/h1-8H,(H,18,19)"	C1=CC=C(C=C1)C2=CC(=O)C3=CC(=C(C=C3N2)F)F	MNZITAKTJMKTGP-UHFFFAOYSA-N
DG55349	8-chloro-5-methyl-2-phenyl-1H-quinolin-4-one	380408	NSC665930; CHEMBL1965848; NSC-665930; NCI60_022860	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665930	.	.	.	.	269.72	C16H12ClNO	29.1	386	4.2	19	1	2	1	"InChI=1S/C16H12ClNO/c1-10-7-8-12(17)16-15(10)14(19)9-13(18-16)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19)"	CC1=C2C(=O)C=C(NC2=C(C=C1)Cl)C3=CC=CC=C3	LCZVTJHZBPWWFD-UHFFFAOYSA-N
DG55350	NSC665934	380412	"(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[2-(methylamino)ethylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride; NSC665934; CHEMBL1978867; NSC-665934; Furo[3',7]naptho[2,3-d]-1,3-dioxol-6(5H)-one, 5a,8,8a,9-tetrahydro- 5-(4-hydroxy-3,5-dimethoxyphenyl)- 9-[[2-(methylamino)ethyl]amino]-, stereoisomer, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665934	.	.	.	.	492.9	C24H29ClN2O7	108	682	.	34	4	9	7	"InChI=1S/C24H28N2O7.ClH/c1-25-4-5-26-22-14-9-17-16(32-11-33-17)8-13(14)20(21-15(22)10-31-24(21)28)12-6-18(29-2)23(27)19(7-12)30-3;/h6-9,15,20-22,25-27H,4-5,10-11H2,1-3H3;1H/t15-,20+,21-,22+;/m0./s1"	CNCCN[C@H]1[C@H]2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC.Cl	MADQCVBKHMXYEU-GASZGAMQSA-N
DG55351	NSC665935	380414	"5beta-(3,5-Dimethoxy-4-hydroxyphenyl)-9alpha-[[2-(2-hydroxyethylamino)ethyl]amino]-5,8,8abeta,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aalphaH)-one; NSC665935; CHEMBL155849; NSC-665935; NCI60_022865; NCI60_022866; 5beta-(3,5-Dimethoxy-4-hydroxyphenyl)-9alpha-[[2-(2-hydroxyethylamino)ethyl]amino]-5,8,8abeta,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aalphaH)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665935	.	.	.	.	486.5	C25H30N2O8	128	714	0.8	35	4	10	9	"InChI=1S/C25H30N2O8/c1-31-19-7-13(8-20(32-2)24(19)29)21-14-9-17-18(35-12-34-17)10-15(14)23(27-4-3-26-5-6-28)16-11-33-25(30)22(16)21/h7-10,16,21-23,26-29H,3-6,11-12H2,1-2H3/t16-,21+,22-,23+/m0/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NCCNCCO	IHQGWVADRNDCKN-AZIXLERZSA-N
DG55352	NSC665936	380415	"(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[2-(2-hydroxyethylamino)ethylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride; NSC665936; CHEMBL1970191; NSC-665936"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665936	.	.	.	.	523	C25H31ClN2O8	128	714	.	36	5	10	9	"InChI=1S/C25H30N2O8.ClH/c1-31-19-7-13(8-20(32-2)24(19)29)21-14-9-17-18(35-12-34-17)10-15(14)23(27-4-3-26-5-6-28)16-11-33-25(30)22(16)21;/h7-10,16,21-23,26-29H,3-6,11-12H2,1-2H3;1H/t16-,21+,22-,23+;/m0./s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NCCNCCO.Cl	IKOWPMLXTLTFPC-ZBWZZBALSA-N
DG55353	"3,3-Dibromo-1,5,2,4-dioxadithiocane 2,2,4,4-tetraoxide"	380417	NSC665940; CHEMBL1969076; ZINC73294137; NSC-665940; NCI60_022868	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665940	.	.	.	.	374	C4H6Br2O6S2	104	360	0.9	14	0	6	0	"InChI=1S/C4H6Br2O6S2/c5-4(6)13(7,8)11-2-1-3-12-14(4,9)10/h1-3H2"	C1COS(=O)(=O)C(S(=O)(=O)OC1)(Br)Br	RMHHFOOOSCKAMR-UHFFFAOYSA-N
DG55354	"3-[3-(2-Cyanoethyl)-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl]propanenitrile"	380418	"NSC665941; 1,5,2,4-Dioxadithiepane-3,3-dipropanenitrile, 2,2,4,4-tetraoxide; CHEMBL1978840; ZINC73241960; NSC-665941; 3-[3-(2-cyanoethyl)-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl]propanenitrile; NCI60_022869"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665941	.	.	.	.	308.3	C9H12N2O6S2	151	564	-1.1	19	0	8	4	"InChI=1S/C9H12N2O6S2/c10-5-1-3-9(4-2-6-11)18(12,13)16-7-8-17-19(9,14)15/h1-4,7-8H2"	C1COS(=O)(=O)C(S(=O)(=O)O1)(CCC#N)CCC#N	HSZVOGXIKJCWSL-UHFFFAOYSA-N
DG55355	Ethylene fluoromethanedisulfonate	380419	NSC665942; SCHEMBL575894; ethylene fluoromethanedisulfonate; CHEMBL1973052; ethylene fluoromethane disulfonate; ZINC73259028; NSC-665942; NCI60_022870	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665942	.	.	.	.	220.2	C3H5FO6S2	104	307	-0.6	12	0	7	0	"InChI=1S/C3H5FO6S2/c4-3-11(5,6)9-1-2-10-12(3,7)8/h3H,1-2H2"	C1COS(=O)(=O)C(S(=O)(=O)O1)F	UZFQDPJMWANVCH-UHFFFAOYSA-N
DG55356	"2-(1-Adamantyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole"	380436	"NSC665959; 2-(1-Adamantyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole; CHEMBL229642; NSC-665959; NCI60_022887; 2-(Adamantan-1-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665959	.	.	.	.	314.8	C18H19ClN2O	38.9	394	4.9	22	0	3	2	"InChI=1S/C18H19ClN2O/c19-15-3-1-14(2-4-15)16-20-21-17(22-16)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2"	C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)C5=CC=C(C=C5)Cl	UULKOPDDXSIABO-UHFFFAOYSA-N
DG55357	"2-(1-Adamantyl)-5-(2-thienyl)-1,3,4-oxadiazole"	380439	"NSC665962; 2-(1-Adamantyl)-5-(2-thienyl)-1,3,4-oxadiazole; CHEMBL229152; NSC-665962; NCI60_022890"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665962	.	.	.	.	286.4	C16H18N2OS	67.2	361	4	20	0	4	2	"InChI=1S/C16H18N2OS/c1-2-13(20-3-1)14-17-18-15(19-14)16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12H,4-9H2"	C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)C5=CC=CS5	AEXVLDHIFPPMAX-UHFFFAOYSA-N
DG55358	Carquniostatin B	380452	"Carquniostatin B; NSC666034; 1-(1,2-Dihydroxypropyl)-2-methyl-6-(3-methyl-2-butenyl)-3H-carbazole-3,4(9H)-dione; CHEMBL1984340; NSC-666034; 1-(1,2-dihydroxypropyl)-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazole-3,4-dione; NCI60_022894"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666034	.	.	.	.	353.4	C21H23NO4	90.4	661	2.4	26	3	4	4	"InChI=1S/C21H23NO4/c1-10(2)5-6-13-7-8-15-14(9-13)17-18(22-15)16(20(25)12(4)23)11(3)19(24)21(17)26/h5,7-9,12,20,22-23,25H,6H2,1-4H3"	CC1=C(C2=C(C3=C(N2)C=CC(=C3)CC=C(C)C)C(=O)C1=O)C(C(C)O)O	YUNXXJUUIKKYDM-UHFFFAOYSA-N
DG55359	"N,N-Bis[(2,3-dimethoxyquinoxaline-6-yl)methyl]-3,4,5-trimethoxybenzenamine"	380466	"NSC666062; CHEMBL1988057; NSC-666062; NCI60_022903; N,N-Bis[(2,3-dimethoxyquinoxaline-6-yl)methyl]-3,4,5-trimethoxybenzenamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666062	.	.	.	.	587.6	C31H33N5O7	119	784	4.7	43	0	12	12	"InChI=1S/C31H33N5O7/c1-37-25-14-20(15-26(38-2)27(25)39-3)36(16-18-8-10-21-23(12-18)34-30(42-6)28(32-21)40-4)17-19-9-11-22-24(13-19)35-31(43-7)29(33-22)41-5/h8-15H,16-17H2,1-7H3"	COC1=CC(=CC(=C1OC)OC)N(CC2=CC3=C(C=C2)N=C(C(=N3)OC)OC)CC4=CC5=C(C=C4)N=C(C(=N5)OC)OC	OQLOGSJLTSAUQD-UHFFFAOYSA-N
DG55360	"2-Methyl-9-[4-(2-hydroxyethyl)piperazino]-2H-1,2,3-triazolo[4,5-f]quinoline"	380469	"NSC666065; CHEMBL1985983; ZINC31860735; NSC-666065; NCI60_022906; 2-Methyl-9-[4-(2-hydroxyethyl)piperazino]-2H-1,2,3-triazolo[4,5-f]quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666065	.	.	.	.	312.37	C16H20N6O	70.3	402	1.2	23	1	6	3	"InChI=1S/C16H20N6O/c1-20-18-13-3-2-12-15(16(13)19-20)14(4-5-17-12)22-8-6-21(7-9-22)10-11-23/h2-5,23H,6-11H2,1H3"	CN1N=C2C=CC3=NC=CC(=C3C2=N1)N4CCN(CC4)CCO	SXEIORDNONATMH-UHFFFAOYSA-N
DG55361	"(2,2-Diiodo-1,1-dimethoxyethyl)benzene"	380477	"NSC666075; (2,2-Diiodo-1,1-dimethoxyethyl)benzene; CHEMBL1995716; SCHEMBL17183621; DTXSID70327554; NSC-666075; 74966-71-5; NCI60_022911; (2,2-diiodo-1,1-dimethoxy-ethyl)benzene; 1,1-diiodo-2,2-dimethoxy-2-phenylethane; alpha,alpha-Diiodoacetophenone dimethyl acetal"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666075	.	.	.	.	418.01	C10H12I2O2	18.5	164	4.1	14	0	2	4	"InChI=1S/C10H12I2O2/c1-13-10(14-2,9(11)12)8-6-4-3-5-7-8/h3-7,9H,1-2H3"	COC(C1=CC=CC=C1)(C(I)I)OC	LRZOAPVOZRNSRW-UHFFFAOYSA-N
DG55362	"2,6,11,15-Tetrathia-8,9,17,18-tetrazatricyclo[14.2.2.27,10]docosa-1(18),7,9,16,19,21-hexaene"	380480	"NSC666080; CHEMBL1981321; NSC-666080; NCI60_022915; 2,6,11,15-Tetrathia-8,9,17,18-tetraazatricyclo[14.2.2.2~7,10~]docosa-1(18),7,9,16,19,21-hexaene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666080	.	.	.	.	368.6	C14H16N4S4	153	265	3.3	22	0	8	0	"InChI=1S/C14H16N4S4/c1-7-19-11-3-5-13(17-15-11)21-9-2-10-22-14-6-4-12(16-18-14)20-8-1/h3-6H,1-2,7-10H2"	C1CSC2=NN=C(C=C2)SCCCSC3=NN=C(C=C3)SC1	OVRBXEVUIIIJNU-UHFFFAOYSA-N
DG55363	3-(9-Acridinylamino)-5-(hydroxymethyl)aniline	380482	CHEMBL321473; NSC666097; 3-(9-acridinylamino)-5-(hydroxymethyl)aniline; 154310-42-6; SCHEMBL1865418; DTXSID30327555; ZINC3799478; BDBM50470357; NCI60_022917; 3-(9-acridinylamino)-5-hydroxymethylaniline; 3-(acridin-9-yl)amino-5-hydroxymethylaniline; (3-(acridin-9-ylamino)-5-aminophenyl)methanol; [3-(acridin-9-ylamino)-5-amino-phenyl]methanol; [3-(acridine-9-yl-amino)-5-aminophenyl]-methanol; (3-(9-Acridinylamino)-5-aminophenyl)methanol hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666097	.	.	.	.	315.4	C20H17N3O	71.2	396	3.5	24	3	4	3	"InChI=1S/C20H17N3O/c21-14-9-13(12-24)10-15(11-14)22-20-16-5-1-3-7-18(16)23-19-8-4-2-6-17(19)20/h1-11,24H,12,21H2,(H,22,23)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC(=CC(=C4)N)CO	GZHHMAFXYHPHBO-UHFFFAOYSA-N
DG55364	"4-Methoxyphenyl 2,3,4-tri-O-benzylhexopyranoside"	380509	"NSC666124; 4-Methoxyphenyl 2,3,4-tri-O-benzylhexopyranoside; CHEMBL1970495; NSC-666124; NCI60_022944; [3,4,5-tribenzyloxy-6-(4-methoxyphenoxy)tetrahydropyran-2-yl]methanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666124	.	.	.	.	556.6	C34H36O7	75.6	695	5.3	41	1	7	13	"InChI=1S/C34H36O7/c1-36-28-17-19-29(20-18-28)40-34-33(39-24-27-15-9-4-10-16-27)32(38-23-26-13-7-3-8-14-26)31(30(21-35)41-34)37-22-25-11-5-2-6-12-25/h2-20,30-35H,21-24H2,1H3"	COC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5	WNPZBHFSUQAYQA-UHFFFAOYSA-N
DG55365	"2-[[Bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-6-(4-methoxyphenoxy)tetrahydropyran-3,4,5-triol"	380511	"NSC666126; CHEMBL1998959; ZINC05954959; NSC-666126; NCI60_022946; 4-Methoxyphenyl 6-O-(bis(4-methoxyphenyl)(phenyl)methyl)hexopyranoside; 2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-6-(4-methoxyphenoxy)tetrahydropyran-3,4,5-triol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666126	.	.	.	.	588.6	C34H36O9	116	774	3.9	43	3	9	11	"InChI=1S/C34H36O9/c1-38-25-13-9-23(10-14-25)34(22-7-5-4-6-8-22,24-11-15-26(39-2)16-12-24)41-21-29-30(35)31(36)32(37)33(43-29)42-28-19-17-27(40-3)18-20-28/h4-20,29-33,35-37H,21H2,1-3H3"	COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(C(C(C(O4)OC5=CC=C(C=C5)OC)O)O)O	OXPORIGCBLNTGG-UHFFFAOYSA-N
DG55366	"2-Amino-4-(4-bromophenyl)-7,7-dimethyl-3-(4-phenyl-1,3-thiazol-2-yl)-4,6,7,8-tetrahydro-5H-chromen-5-one"	380518	"NSC666132; 2-Amino-4-(4-bromophenyl)-7,7-dimethyl-3-(4-phenyl-1,3-thiazol-2-yl)-4,6,7,8-tetrahydro-5H-chromen-5-one; AKOS024368015; MCULE-5263117198; NSC-666132; NCI60_022951; 2-amino-4-(4-bromophenyl)-7,7-dimethyl-3-(4-phenylthiazol-2-yl)-6,8-dihydro-4H-chromen-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666132	.	.	.	.	507.4	C26H23BrN2O2S	93.4	809	5.4	32	1	5	3	"InChI=1S/C26H23BrN2O2S/c1-26(2)12-19(30)22-20(13-26)31-24(28)23(21(22)16-8-10-17(27)11-9-16)25-29-18(14-32-25)15-6-4-3-5-7-15/h3-11,14,21H,12-13,28H2,1-2H3"	CC1(CC2=C(C(C(=C(O2)N)C3=NC(=CS3)C4=CC=CC=C4)C5=CC=C(C=C5)Br)C(=O)C1)C	ATHBFDFSEKWPMV-UHFFFAOYSA-N
DG55367	"2-Amino-4-(4-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-4H,5H-pyrano[3,2-c]chromen-5-one"	380520	"NSC666134; 2-Amino-4-(4-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-4H,5H-pyrano[3,2-c]chromen-5-one; C27H17BrN2O3S; STK788806; AKOS001017357; AKOS016875636; MCULE-3184379939; NSC-666134; NCI60_022953; SR-01000523336; SR-01000523336-1; 2-amino-4-(4-bromophenyl)-3-(4-phenylthiazol-2-yl)-4H-pyrano[3,2-c]chromen-5-one; 158833-77-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666134	.	.	.	.	529.4	C27H17BrN2O3S	103	862	5.6	34	1	6	3	"InChI=1S/C27H17BrN2O3S/c28-17-12-10-16(11-13-17)21-22-24(18-8-4-5-9-20(18)32-27(22)31)33-25(29)23(21)26-30-19(14-34-26)15-6-2-1-3-7-15/h1-14,21H,29H2"	C1=CC=C(C=C1)C2=CSC(=N2)C3=C(OC4=C(C3C5=CC=C(C=C5)Br)C(=O)OC6=CC=CC=C64)N	AFILLCXHGDJHDS-UHFFFAOYSA-N
DG55368	"2-Amino-4-furan-2-yl-3-(4-phenyl-thiazol-2-yl)-4H-pyrano[3,2-c]chromen-5-one"	380521	"NSC666135; Oprea1_418403; CHEMBL1993284; STK525439; AKOS005459232; MCULE-8699501600; NSC-666135; 2-Amino-4-furan-2-yl-3-(4-phenyl-thiazol-2-yl)-4H-pyrano[3,2-c]chromen-5-one; NCI60_022954; 2-amino-4-(2-furyl)-3-(4-phenylthiazol-2-yl)-4H-pyrano[3,2-c]chromen-5-one; 2-amino-4-(furan-2-yl)-3-(4-phenyl-1,3-thiazol-2-yl)-4H,5H-pyrano[3,2-c]chromen-5-one; 158833-78-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666135	.	.	.	.	440.5	C25H16N2O4S	116	821	4	32	1	7	3	"InChI=1S/C25H16N2O4S/c26-23-21(24-27-16(13-32-24)14-7-2-1-3-8-14)19(18-11-6-12-29-18)20-22(31-23)15-9-4-5-10-17(15)30-25(20)28/h1-13,19H,26H2"	C1=CC=C(C=C1)C2=CSC(=N2)C3=C(OC4=C(C3C5=CC=CO5)C(=O)OC6=CC=CC=C64)N	AYMVFKCJJBANOF-UHFFFAOYSA-N
DG55369	"2-amino-4-(2-furyl)-3-[4-(2-oxochromen-3-yl)thiazol-2-yl]-4H-pyrano[3,2-c]chromen-5-one"	380522	"NSC666136; AKOS002531334; MCULE-9665533100; NSC-666136; NCI60_022955; 2-Amino-4-(2-furyl)-3-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-4H,5H-pyrano[3,2-c]chromen-5-one; 2-amino-4-(2-furyl)-3-[4-(2-oxochromen-3-yl)thiazol-2-yl]-4H-pyrano[3,2-c]chromen-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666136	.	.	.	.	508.5	C28H16N2O6S	142	1080	4	37	1	9	3	"InChI=1S/C28H16N2O6S/c29-25-23(26-30-17(13-37-26)16-12-14-6-1-3-8-18(14)34-27(16)31)21(20-10-5-11-33-20)22-24(36-25)15-7-2-4-9-19(15)35-28(22)32/h1-13,21H,29H2"	C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C4=C(OC5=C(C4C6=CC=CO6)C(=O)OC7=CC=CC=C75)N	ZTPBPUHDGMUMBZ-UHFFFAOYSA-N
DG55370	NSC666140	380527	"2-[[3-Cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]disulfanyl]-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile; NSC666140; NSC-666140; CHEMBL331903; AKOS024368012; MCULE-1679056308; 2-[[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]disulfanyl]-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile; NCI60_022959; 2,2'-Dithiobis[4-(4-fluorophenyl)-5-oxo-7,7-dimethyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile]; 2,2'-Dithiobis[4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666140	.	.	.	.	654.8	C36H32F2N4O2S2	156	1440	6.3	46	2	10	5	"InChI=1S/C36H32F2N4O2S2/c1-35(2)13-25-31(27(43)15-35)29(19-5-9-21(37)10-6-19)23(17-39)33(41-25)45-46-34-24(18-40)30(20-7-11-22(38)12-8-20)32-26(42-34)14-36(3,4)16-28(32)44/h5-12,29-30,41-42H,13-16H2,1-4H3"	CC1(CC2=C(C(C(=C(N2)SSC3=C(C(C4=C(N3)CC(CC4=O)(C)C)C5=CC=C(C=C5)F)C#N)C#N)C6=CC=C(C=C6)F)C(=O)C1)C	OSBNGANCHOLRCB-UHFFFAOYSA-N
DG55371	"2-Methoxy-6-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	380564	"NSC666214; MLS002702170; 2-Methoxy-6-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol; CHEMBL1702417; NSC-666214; NCI60_022979; SMR001565733; 2-methoxy-6-(7-methyl-6-morpholino-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666214	.	.	.	.	399.4	C22H25NO6	69.6	557	3.4	29	1	7	3	"InChI=1S/C22H25NO6/c1-13-20(14-4-3-5-16(25-2)21(14)24)15-10-18-19(28-12-27-18)11-17(15)29-22(13)23-6-8-26-9-7-23/h3-5,10-11,13,20,22,24H,6-9,12H2,1-2H3"	CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=C(C(=CC=C5)OC)O	RBEXOAWNMJODKC-UHFFFAOYSA-N
DG55372	"4-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine"	380567	"NSC666217; 4-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine; 4-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine; Neuro_000395; CHEMBL1999715; SCHEMBL19425412; NSC-666217; NCI60_022982; {6H-1,3-Dioxolo[4,5-g][1]benzopyran,} 7,8-dihydro- 7-methyl-6-(4-morpholinyl)-8-(3,4,5-trimethoxyphenyl)-; 6H-1,5-g][1]benzopyran, 7,8-dihydro- 7-methyl-6-(4-morpholinyl)-8-(3,4,5-trimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666217	.	.	.	.	443.5	C24H29NO7	67.8	603	3.7	32	0	8	5	"InChI=1S/C24H29NO7/c1-14-22(15-9-20(26-2)23(28-4)21(10-15)27-3)16-11-18-19(31-13-30-18)12-17(16)32-24(14)25-5-7-29-8-6-25/h9-12,14,22,24H,5-8,13H2,1-4H3"	CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC	NIAGVHRQRDGPQR-UHFFFAOYSA-N
DG55373	"1-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine"	380568	"NSC666218; 1-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine; 1-[8-(2,3-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine; CHEMBL2001514; NSC-666218; NCI60_022983"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666218	.	.	.	.	397.5	C23H27NO5	49.4	555	4.6	29	0	6	4	"InChI=1S/C23H27NO5/c1-14-21(15-7-6-8-17(25-2)22(15)26-3)16-11-19-20(28-13-27-19)12-18(16)29-23(14)24-9-4-5-10-24/h6-8,11-12,14,21,23H,4-5,9-10,13H2,1-3H3"	CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=C(C(=CC=C5)OC)OC	GWPIAAOPZQZVTR-UHFFFAOYSA-N
DG55374	"4-(8-(2,4-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine"	380570	"NSC666220; MLS002702172; 4-(8-(2,4-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine; 4-[8-(2,4-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine; CHEMBL1698989; NSC-666220; NCI60_022985; SMR001565735"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666220	.	.	.	.	413.5	C23H27NO6	58.6	572	3.8	30	0	7	4	"InChI=1S/C23H27NO6/c1-14-22(16-5-4-15(25-2)10-18(16)26-3)17-11-20-21(29-13-28-20)12-19(17)30-23(14)24-6-8-27-9-7-24/h4-5,10-12,14,22-23H,6-9,13H2,1-3H3"	CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=C(C=C(C=C5)OC)OC	NJSSNAKBDXXDTB-UHFFFAOYSA-N
DG55375	"4-(8-(1,3-Benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine"	380572	"NSC666222; MLS002702173; 4-(8-(1,3-Benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine; 4-[8-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine; CHEMBL1721378; NSC-666222; NCI60_022987; SMR001565736"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666222	.	.	.	.	397.4	C22H23NO6	58.6	586	3.6	29	0	7	2	"InChI=1S/C22H23NO6/c1-13-21(14-2-3-16-18(8-14)26-11-25-16)15-9-19-20(28-12-27-19)10-17(15)29-22(13)23-4-6-24-7-5-23/h2-3,8-10,13,21-22H,4-7,11-12H2,1H3"	CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC6=C(C=C5)OCO6	OFUMSTVCETVCLF-UHFFFAOYSA-N
DG55376	"2-Methoxy-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	380573	"NSC666223; 2-Methoxy-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol; CHEMBL1970776; NSC-666223; NCI60_022988; 2-methoxy-4-(7-methyl-6-morpholino-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666223	.	.	.	.	399.4	C22H25NO6	69.6	557	3.4	29	1	7	3	"InChI=1S/C22H25NO6/c1-13-21(14-3-4-16(24)18(9-14)25-2)15-10-19-20(28-12-27-19)11-17(15)29-22(13)23-5-7-26-8-6-23/h3-4,9-11,13,21-22,24H,5-8,12H2,1-2H3"	CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C=C5)O)OC	VJXYCGBOCOGNJF-UHFFFAOYSA-N
DG55377	"4-(8-(3,4-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine"	380575	"NSC666225; 4-(8-(3,4-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine; 4-[8-(3,4-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine; CHEMBL1979834; NSC-666225; NCI60_022990"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666225	.	.	.	.	413.5	C23H27NO6	58.6	572	3.8	30	0	7	4	"InChI=1S/C23H27NO6/c1-14-22(15-4-5-17(25-2)19(10-15)26-3)16-11-20-21(29-13-28-20)12-18(16)30-23(14)24-6-8-27-9-7-24/h4-5,10-12,14,22-23H,6-9,13H2,1-3H3"	CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C=C5)OC)OC	ZPZCSHSXNVEFPP-UHFFFAOYSA-N
DG55378	"1-(8-(2-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine"	380576	"NSC666226; 1-(8-(2-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine; 1-[8-(2-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine; CHEMBL1980169; NSC-666226; NCI60_022991; Methyl 2-(7-methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666226	.	.	.	.	367.4	C22H25NO4	40.2	511	4.6	27	0	5	3	"InChI=1S/C22H25NO4/c1-14-21(15-7-3-4-8-17(15)24-2)16-11-19-20(26-13-25-19)12-18(16)27-22(14)23-9-5-6-10-23/h3-4,7-8,11-12,14,21-22H,5-6,9-10,13H2,1-2H3"	CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC=CC=C5OC	GUTQDDXXUDZPIR-UHFFFAOYSA-N
DG55379	"1-(7-Ethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine"	380577	"NSC666227; MLS002702175; 1-(7-Ethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine; 1-[7-ethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine; Neuro_000396; CHEMBL1714894; SCHEMBL19419815; NSC-666227; NCI60_022992; SMR001565738"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666227	.	.	.	.	441.5	C25H31NO6	58.6	601	4.9	32	0	7	6	"InChI=1S/C25H31NO6/c1-5-16-23(15-10-21(27-2)24(29-4)22(11-15)28-3)17-12-19-20(31-14-30-19)13-18(17)32-25(16)26-8-6-7-9-26/h10-13,16,23,25H,5-9,14H2,1-4H3"	CCC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC	ICBSBTSRZHYVGZ-UHFFFAOYSA-N
DG55380	"1-(8-(3-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine"	380579	"NSC666229; 1-(8-(3-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine; 1-[8-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine; CHEMBL1987066; NSC-666229; NCI60_022994; Methyl 3-(7-methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666229	.	.	.	.	367.4	C22H25NO4	40.2	511	4.6	27	0	5	3	"InChI=1S/C22H25NO4/c1-14-21(15-6-5-7-16(10-15)24-2)17-11-19-20(26-13-25-19)12-18(17)27-22(14)23-8-3-4-9-23/h5-7,10-12,14,21-22H,3-4,8-9,13H2,1-2H3"	CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC(=CC=C5)OC	NRMLCSNFBPYZRW-UHFFFAOYSA-N
DG55381	"4-(8-(4-Chlorophenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine"	380581	"NSC666231; 4-(8-(4-Chlorophenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine; 4-[8-(4-chlorophenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine; CHEMBL1974135; NSC-666231; NCI60_022996"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666231	.	.	.	.	387.9	C21H22ClNO4	40.2	508	4.4	27	0	5	2	"InChI=1S/C21H22ClNO4/c1-13-20(14-2-4-15(22)5-3-14)16-10-18-19(26-12-25-18)11-17(16)27-21(13)23-6-8-24-9-7-23/h2-5,10-11,13,20-21H,6-9,12H2,1H3"	CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC=C(C=C5)Cl	MTZMFRTXAVZTJP-UHFFFAOYSA-N
DG55382	"N,N-Dimethyl-4-(7-methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)aniline"	380583	"NSC666233; CHEMBL2002181; NSC-666233; N,N-Dimethyl-4-(7-methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)aniline; N,N-dimethyl-4-(7-methyl-6-pyrrolidin-1-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)aniline; NCI60_022998; N,N-Dimethyl-N-(4-(7-methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666233	.	.	.	.	380.5	C23H28N2O3	34.2	530	4.8	28	0	5	3	"InChI=1S/C23H28N2O3/c1-15-22(16-6-8-17(9-7-16)24(2)3)18-12-20-21(27-14-26-20)13-19(18)28-23(15)25-10-4-5-11-25/h6-9,12-13,15,22-23H,4-5,10-11,14H2,1-3H3"	CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC=C(C=C5)N(C)C	VEINRYGCKDRNLM-UHFFFAOYSA-N
DG55383	"2,6-Di-tert-butyl-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	380584	"NSC666234; 2,6-Di-tert-butyl-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol; CHEMBL1994926; NSC-666234; NCI60_022999; 2,6-ditert-butyl-4-(7-methyl-6-morpholino-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666234	.	.	.	.	481.6	C29H39NO5	60.4	702	6.8	35	1	6	4	"InChI=1S/C29H39NO5/c1-17-25(18-12-20(28(2,3)4)26(31)21(13-18)29(5,6)7)19-14-23-24(34-16-33-23)15-22(19)35-27(17)30-8-10-32-11-9-30/h12-15,17,25,27,31H,8-11,16H2,1-7H3"	CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C(=C5)C(C)(C)C)O)C(C)(C)C	SICREJOSBMSSEJ-UHFFFAOYSA-N
DG55384	"2-Methoxy-6-(7-phenyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	380586	"NSC666236; 2-Methoxy-6-(7-phenyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol; CHEMBL1999482; NSC-666236; 2-methoxy-6-(7-phenyl-6-pyrrolidin-1-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol; NCI60_023001"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666236	.	.	.	.	445.5	C27H27NO5	60.4	650	5.2	33	1	6	4	"InChI=1S/C27H27NO5/c1-30-20-11-7-10-18(26(20)29)25-19-14-22-23(32-16-31-22)15-21(19)33-27(28-12-5-6-13-28)24(25)17-8-3-2-4-9-17/h2-4,7-11,14-15,24-25,27,29H,5-6,12-13,16H2,1H3"	COC1=CC=CC(=C1O)C2C(C(OC3=CC4=C(C=C23)OCO4)N5CCCC5)C6=CC=CC=C6	SXAHPUYYJNJKLC-UHFFFAOYSA-N
DG55385	"1-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine"	380587	"NSC666237; 1-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine; 1-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]piperidine; CHEMBL2000999; SCHEMBL19419790; NSC-666237; NCI60_023002"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666237	.	.	.	.	441.5	C25H31NO6	58.6	601	4.9	32	0	7	5	"InChI=1S/C25H31NO6/c1-15-23(16-10-21(27-2)24(29-4)22(11-16)28-3)17-12-19-20(31-14-30-19)13-18(17)32-25(15)26-8-6-5-7-9-26/h10-13,15,23,25H,5-9,14H2,1-4H3"	CC1C(C2=CC3=C(C=C2OC1N4CCCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC	QBHMXIRXGGQMKW-UHFFFAOYSA-N
DG55386	"4-(7-Methyl-8-(2,4,6-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine"	380588	"NSC666238; 4-(7-Methyl-8-(2,4,6-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine; 4-[7-methyl-8-(2,4,6-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine; CHEMBL1971738; NSC-666238; NCI60_023003"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666238	.	.	.	.	443.5	C24H29NO7	67.8	603	3.7	32	0	8	5	"InChI=1S/C24H29NO7/c1-14-22(23-20(27-3)9-15(26-2)10-21(23)28-4)16-11-18-19(31-13-30-18)12-17(16)32-24(14)25-5-7-29-8-6-25/h9-12,14,22,24H,5-8,13H2,1-4H3"	CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=C(C=C(C=C5OC)OC)OC	UDLVQRWGRXVIGM-UHFFFAOYSA-N
DG55387	"4-Methyl-1-(4-methylphenyl)-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a]benzimidazole-5-carbonitrile"	380604	"NSC666279; 166671-41-6; 4-Methyl-1-(4-methylphenyl)-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a]benzimidazole-5-carbonitrile; 7-methyl-3-(4-methylphenyl)-1,3,10-triazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-2(6),7,9,11,13,15-hexaene-8-carbonitrile; 7-Methyl-3-(4-methylphenyl)-1,3,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene-8-carbonitrile; methyl(p-tolyl)[ ]carbonitrile; CHEMBL1988445; ZINC344018; STK953613; AKOS001330120; MCULE-5449405782; NSC-666279; NCI60_023015; AB00765079-01; AE-406/41056510; F1727-0090; 4-methyl-1-(p-tolyl)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]pyrrolo[3,2-e]pyridine-5-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666279	.	.	.	.	338.4	C22H18N4	44.3	574	5.7	26	0	3	1	"InChI=1S/C22H18N4/c1-14-7-9-16(10-8-14)25-12-11-17-15(2)18(13-23)21-24-19-5-3-4-6-20(19)26(21)22(17)25/h3-10H,11-12H2,1-2H3"	CC1=CC=C(C=C1)N2CCC3=C2N4C5=CC=CC=C5N=C4C(=C3C)C#N	GTIRMXNUAWBMSE-UHFFFAOYSA-N
DG55388	"1-Hexyl-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a]benzimidazole-5-carbonitrile"	380605	"NSC666280; 1-Hexyl-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a]benzimidazole-5-carbonitrile; hexyl(methyl)[ ]carbonitrile; CHEMBL1975145; ZINC5499169; STK953642; AKOS001330005; MCULE-7613791186; NSC-666280; UPCMLD0ENAT5742642:001; NCI60_023016; Z57683583; 166671-40-5; 3-hexyl-7-methyl-1,3,10-triazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-2(6),7,9,11(16),12,14-hexaene-8-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666280	.	.	.	.	332.4	C21H24N4	44.3	511	6.1	25	0	3	5	"InChI=1S/C21H24N4/c1-3-4-5-8-12-24-13-11-16-15(2)17(14-22)20-23-18-9-6-7-10-19(18)25(20)21(16)24/h6-7,9-10H,3-5,8,11-13H2,1-2H3"	CCCCCCN1CCC2=C1N3C4=CC=CC=C4N=C3C(=C2C)C#N	JZIPWWRAFZJKNC-UHFFFAOYSA-N
DG55389	"1-(4-Chlorophenyl)-8-fluoro-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline"	380608	"NSC666283; Maybridge4_001815; 1-(4-Chlorophenyl)-8-fluoro-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline; CHEMBL1982312; HMS1526C11; ZINC158995; 1-(4-chlorophenyl)-8-fluoro-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline; CCG-252619; MCULE-9364221369; NSC-666283; NCGC00177229-01; NCI60_023019; BRD-K92669059-001-01-4; 1-(4-Chlorophenyl)-4-methyl-8-fluoro-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666283	.	.	.	.	312.8	C18H14ClFN2	16.1	399	5	22	0	3	1	"InChI=1S/C18H14ClFN2/c1-11-15-8-9-22(14-5-2-12(19)3-6-14)18(15)16-10-13(20)4-7-17(16)21-11/h2-7,10H,8-9H2,1H3"	CC1=C2CCN(C2=C3C=C(C=CC3=N1)F)C4=CC=C(C=C4)Cl	FXTBQKMGRYHTIP-UHFFFAOYSA-N
DG55390	"6,8-Dimethoxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline"	380609	"NSC666284; 6,8-Dimethoxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline; CHEMBL1989596; NSC-666284; NCI60_023020; 4-Methyl-6,8-dimethoxy-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666284	.	.	.	.	244.29	C14H16N2O2	43.4	300	2.6	18	1	4	2	"InChI=1S/C14H16N2O2/c1-8-10-4-5-15-13(10)11-6-9(17-2)7-12(18-3)14(11)16-8/h6-7,15H,4-5H2,1-3H3"	CC1=C2CCNC2=C3C=C(C=C(C3=N1)OC)OC	ISCFTPATSJORAR-UHFFFAOYSA-N
DG55391	2-(2-Benzimidazolylamino)-4-chloro-6-methylpyrimidine	380614	2-(2-Benzimidazolylamino)-4-chloro-6-methylpyrimidine; 42389-34-4; NSC666289; N-(4-Chloro-6-methyl-2-pyrimidinyl)-1H-benzimidazol-2-amine; CHEMBL1980119; N-(4-chloro-6-methylpyrimidin-2-yl)-1H-benzimidazol-2-amine; 5179AJ; AC6120; MFCD22205840; N-(1H-Benzimidazol-2-yl)-N-(4-chloro-6-methyl-2-pyrimidinyl)amine; ZINC13216525; AKOS027256951; NSC-666289; DA-19041; NCI60_023025; SY018159; FT-0721540; A918479; N-(4-chloro-6-methyl-pyrimidin-2-yl)-1H-benzimidazol-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666289	.	.	.	.	259.69	C12H10ClN5	66.5	290	3.3	18	2	4	2	"InChI=1S/C12H10ClN5/c1-7-6-10(13)17-11(14-7)18-12-15-8-4-2-3-5-9(8)16-12/h2-6H,1H3,(H2,14,15,16,17,18)"	CC1=CC(=NC(=N1)NC2=NC3=CC=CC=C3N2)Cl	FQNPYEONCHVKMK-UHFFFAOYSA-N
DG55392	4-Hydroxy-2-(5-hydroxy-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-1-yl)-5-pyrimidinecarboxylic acid	380615	"NSC666290; CHEMBL3145294; NSC-666290; 4-Hydroxy-2-(5-hydroxy-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-1-yl)-5-pyrimidinecarboxylic acid; NCI60_023026; 2-[3-Oxo-4-(2-hydroxyethyl)-5-methyl-4-pyrazoline-2-yl]-4-oxo-3,4-dihydropyrimidine-5-carboxylic acid; 4-hydroxy-2-[5-hydroxy-4-(2-hydroxyethyl)-3-methyl-pyrazol-1-yl]pyrimidine-5-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666290	.	.	.	.	280.24	C11H12N4O5	131	590	-0.5	20	4	7	4	"InChI=1S/C11H12N4O5/c1-5-6(2-3-16)9(18)15(14-5)11-12-4-7(10(19)20)8(17)13-11/h4,14,16H,2-3H2,1H3,(H,19,20)(H,12,13,17)"	CC1=C(C(=O)N(N1)C2=NC=C(C(=O)N2)C(=O)O)CCO	YQXWPQBDEPAWFL-UHFFFAOYSA-N
DG55393	"3-Hydroxy-5,6-dihydrocyclopenta[c]pyrazole-2(4H)-carboximidamide"	380616	"NSC666291; CHEMBL1970187; 3-Hydroxy-5,6-dihydrocyclopenta[c]pyrazole-2(4H)-carboximidamide; ZINC5955264; NSC-666291; NCI60_023027; 3-hydroxy-5,6-dihydro-4H-cyclopenta[c]pyrazole-2-carboxamidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666291	.	.	.	.	166.18	C7H10N4O	82.2	294	0.4	12	3	3	1	"InChI=1S/C7H10N4O/c8-7(9)11-6(12)4-2-1-3-5(4)10-11/h10H,1-3H2,(H3,8,9)"	C1CC2=C(C1)NN(C2=O)C(=N)N	QCYLQOXDULJQOC-UHFFFAOYSA-N
DG55394	6-Chloro-4-(1H-imidazol-1-yl)-3-(2-(1H-imidazol-1-yl)ethyl)-2-methylquinoline	380617	NSC666292; 6-Chloro-4-(1H-imidazol-1-yl)-3-(2-(1H-imidazol-1-yl)ethyl)-2-methylquinoline; CHEMBL2004718; NCI60_023028; 6-chloro-4-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methyl-quinoline; 3-(2-(1H-imidazol-1-yl)ethyl)-6-chloro-4-(1H- imidazol-1-yl)-2-methylquinoline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666292	.	.	.	.	337.8	C18H16ClN5	48.5	422	2.9	24	0	3	4	"InChI=1S/C18H16ClN5/c1-13-15(4-7-23-8-5-20-11-23)18(24-9-6-21-12-24)16-10-14(19)2-3-17(16)22-13/h2-3,5-6,8-12H,4,7H2,1H3"	CC1=C(C(=C2C=C(C=CC2=N1)Cl)N3C=CN=C3)CCN4C=CN=C4	FNILEGFYDPTHBA-UHFFFAOYSA-N
DG55395	"4-(2-hydroxyethyl)-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide"	380618	"4-(2-hydroxyethyl)-3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide; 210417-12-2; NSC666293; 4-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazole-2-carboximidamide; 1-amidino-4-(2-hydroxyethyl)-3-methyl-3-pyrazolin-5-one; CHEMBL3145332; DTXSID10327558; ZINC5955265; 7152AD; MFCD03848520; AKOS005070527; ZINC103015700; MCULE-6940013791; NSC-666293; NCI60_023029; CS-0336473; 4W-0227; A918949; J-513309; 2-Amidino-4-(2-hydroxyethyl)-5-methyl-4-pyrazoline-3-one; 5-hydroxy-4-(2-hydroxyethyl)-3-methyl-pyrazole-1-carboxamidine; 5-Hydroxy-4-(2-hydroxyethyl)-3-methyl-1H-pyrazole-1-carboximidamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666293	.	.	.	.	184.2	C7H12N4O2	102	284	-0.3	13	4	4	3	"InChI=1S/C7H12N4O2/c1-4-5(2-3-12)6(13)11(10-4)7(8)9/h10,12H,2-3H2,1H3,(H3,8,9)"	CC1=C(C(=O)N(N1)C(=N)N)CCO	BUUBDDAVRQDZCO-UHFFFAOYSA-N
DG55396	(Acetyloxy)(1-pyrenyl)methyl acetate	380625	NSC666300; (Acetyloxy)(1-pyrenyl)methyl acetate; 1-(Diacetoxymethyl)pyrene; CHEMBL2001804; [acetoxy(pyren-1-yl)methyl] acetate; NSC-666300; NCI60_023036	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666300	.	.	.	.	332.3	C21H16O4	52.6	514	4.7	25	0	4	5	"InChI=1S/C21H16O4/c1-12(22)24-21(25-13(2)23)18-11-9-16-7-6-14-4-3-5-15-8-10-17(18)20(16)19(14)15/h3-11,21H,1-2H3"	CC(=O)OC(C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OC(=O)C	BNKITCXZLUHIAB-UHFFFAOYSA-N
DG55397	NSC666302	380627	"15,18-Dihydroxy-5,7-dimethyl-11-thia-2,5,7,9-tetrazapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),3(8),9,14,16,18-hexaene-4,6,13,20-tetrone; NSC666302; dihydroxy(dimethyl)[ ]tetrone; CHEMBL1975985; NSC-666302; NCI60_023038; Naphtho[2',3':4,5]thiazolo[2,3-f]purine-1,3,7,12(2H,4H)-tetrone, 8,11-dihydroxy-2,4-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666302	.	.	.	.	398.4	C17H10N4O6S	161	794	3.4	28	2	8	0	"InChI=1S/C17H10N4O6S/c1-19-14-10(15(26)20(2)17(19)27)21-9-11(24)7-5(22)3-4-6(23)8(7)12(25)13(9)28-16(21)18-14/h3-4,22-23H,1-2H3"	CN1C2=C(C(=O)N(C1=O)C)N3C4=C(C(=O)C5=C(C=CC(=C5C4=O)O)O)SC3=N2	IVLUYKYLSSTXDK-UHFFFAOYSA-N
DG55398	"Benzimidazo[2',1':2,3][1,3]thiazolo[4,5-b]quinoxaline"	380629	"NSC666304; Benzimidazo[2',1':2,3][1,3]thiazolo[4,5-b]quinoxaline; 27845-20-1; MLS000100286; CHEMBL1560298; DTXSID40327561; HMS1623J04; ZINC1068478; STK205994; AKOS000424746; MCULE-5954215920; NSC-666304; NCI60_023040; SMR000082340; SR-01000299430; SR-01000299430-1; Z56948496; [1,3]Benzimidazo[2',1':2,3]thiazolo[4,5-b]quinoxaline; 11-thia-2,9,13,20-tetraazapentacyclo[10.8.0.0^{2,10}.0^{3,8}.0^{14,19}]icosa-1(12),3(8),4,6,9,13,15,17,19-nonaene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666304	.	.	.	.	276.3	C15H8N4S	71.3	392	3.7	20	0	4	0	InChI=1S/C15H8N4S/c1-2-6-10-9(5-1)16-13-14(17-10)20-15-18-11-7-3-4-8-12(11)19(13)15/h1-8H	C1=CC=C2C(=C1)N=C3C(=N2)SC4=NC5=CC=CC=C5N34	NRAPIYWXSRMKRF-UHFFFAOYSA-N
DG55399	"Benzimidazo[2,1-b]naphtho[2,3-d]thiazole-7,12-dione"	380630	"NSC666305; Benzimidazo[2,1-b]naphtho[2,3-d]thiazole-7,12-dione; Oprea1_755317; C17H8N2O2S; CHEMBL1979603; ZINC500176; STK207555; AKOS000424747; MCULE-8393710583; NSC-666305; NCI60_023041; Naphtho[2',3':4,5]thiazolo[3,2-a]benzimidazole-7,12-dione; Naphtho[2',3':4,5][1,3]thiazolo[3,2-a]benzimidazole-7,12-dione; Naphtho[2',3':4,5][1,3]thiazolo[3,2-a]benzimidazole-7,12-dione #; 60463-65-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666305	.	.	.	.	304.3	C17H8N2O2S	79.7	525	4.9	22	0	4	0	InChI=1S/C17H8N2O2S/c20-14-9-5-1-2-6-10(9)15(21)16-13(14)19-12-8-4-3-7-11(12)18-17(19)22-16/h1-8H	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC4=NC5=CC=CC=C5N34	LJPYJTSXEVAGSB-UHFFFAOYSA-N
DG55400	10H-Phenothiazine-4-carbonitrile	380632	10H-Phenothiazine-4-carbonitrile; NSC666307; CHEMBL1995076; NSC-666307; NCI60_023043	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666307	.	.	.	.	224.28	C13H8N2S	61.1	308	3.3	16	1	3	0	"InChI=1S/C13H8N2S/c14-8-9-4-3-6-11-13(9)16-12-7-2-1-5-10(12)15-11/h1-7,15H"	C1=CC=C2C(=C1)NC3=CC=CC(=C3S2)C#N	DRIWXTSESHVHDY-UHFFFAOYSA-N
DG55401	"Pyridine, 2,2'-(2,5-di-2-thienyl-1H-pyrrole-3,4-diyl)bis-"	380634	"NSC666309; Pyridine, 2,2'-(2,5-di-2-thienyl-1H-pyrrole-3,4-diyl)bis-; CHEMBL1965332; NSC-666309; NCI60_023045; 2,5-Bis(2-thienyl)-3,4-bis(2-pyridinyl)-1H-pyrrole; 2-[4-(2-pyridyl)-2,5-bis(2-thienyl)-1H-pyrrol-3-yl]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666309	.	.	.	.	385.5	C22H15N3S2	98	448	4.7	27	1	4	4	"InChI=1S/C22H15N3S2/c1-3-11-23-15(7-1)19-20(16-8-2-4-12-24-16)22(18-10-6-14-27-18)25-21(19)17-9-5-13-26-17/h1-14,25H"	C1=CC=NC(=C1)C2=C(NC(=C2C3=CC=CC=N3)C4=CC=CS4)C5=CC=CS5	AARQLDYBNOOQDG-UHFFFAOYSA-N
DG55402	"4-Phenyl-4,5-diazapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13,15,17,19-hexaene-3,6-dione"	380638	"NSC666314; CBMicro_048201; Oprea1_455062; CHEMBL1964840; STK825626; AKOS000478648; AKOS021996175; CCG-109310; MCULE-6258423581; NSC-666314; NCI60_023049; BIM-0048069.P001; EU-0008589; SR-01000466688; SR-01000466688-1; (9R,10S,11S,16R)-14-phenyl-9,10,11,13,14,16-hexahydro-9,10-[4,5]epipyridazinoanthracene-12,15-dione; 4-Phenyl-4,5-diazapentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-9,11,13,15,17,19-hexaene-3,6-dione; 4-phenyl-4,5-diazapentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-9,11,13,15,17,19-hexaene-3,6-dione (non-preferred name)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666314	.	.	.	.	366.4	C24H18N2O2	49.4	633	3.5	28	1	2	1	"InChI=1S/C24H18N2O2/c27-23-21-19-15-10-4-6-12-17(15)20(18-13-7-5-11-16(18)19)22(21)24(28)26(25-23)14-8-2-1-3-9-14/h1-13,19-22H,(H,25,27)"	C1=CC=C(C=C1)N2C(=O)C3C(C4C5=CC=CC=C5C3C6=CC=CC=C46)C(=O)N2	LHPUJOVDVWHOGP-UHFFFAOYSA-N
DG55403	"1-(6-Decoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-5-yl)-2-[3-(dimethylamino)propylamino]ethanol"	380658	NSC666346; CHEMBL1997815; NSC-666346; NCI60_023050	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666346	.	.	.	.	484.7	C27H52N2O5	72.4	543	5.1	34	2	7	17	"InChI=1S/C27H52N2O5/c1-4-5-6-7-8-9-10-14-20-31-24-23(22(30)21-28-18-15-19-29(2)3)32-26-25(24)33-27(34-26)16-12-11-13-17-27/h22-26,28,30H,4-21H2,1-3H3"	CCCCCCCCCCOC1C2C(OC1C(CNCCCN(C)C)O)OC3(O2)CCCCC3	UZGBOUMQJONBMI-UHFFFAOYSA-N
DG55404	"3-[1-(6-decoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-5-yl)ethoxy]-N,N-dimethylpropan-1-amine"	380659	NSC666347; CHEMBL1979934; NSC-666347; NCI60_023051	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666347	.	.	.	.	469.7	C27H51NO5	49.4	525	6.5	33	0	6	16	"InChI=1S/C27H51NO5/c1-5-6-7-8-9-10-11-15-20-30-24-23(22(2)29-21-16-19-28(3)4)31-26-25(24)32-27(33-26)17-13-12-14-18-27/h22-26H,5-21H2,1-4H3"	CCCCCCCCCCOC1C2C(OC1C(C)OCCCN(C)C)OC3(O2)CCCCC3	TWXQPKNAFFNJQA-UHFFFAOYSA-N
DG55405	"2-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-phenyl-4(3H)-quinazolinone"	380664	"NSC666358; CHEMBL1986620; ZINC45807; 2-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-phenyl-4(3H)-quinazolinone; 2-(3,5-dimethyl-1h-pyrazol-1-yl)-3-phenylquinazolin-4(3h)-one; AKOS024280838; MCULE-3070276091; NSC-666358; NCI60_023056; 2-(3,5-dimethylpyrazol-1-yl)-3-phenyl-quinazolin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666358	.	.	.	.	316.4	C19H16N4O	50.5	514	3.6	24	0	3	2	"InChI=1S/C19H16N4O/c1-13-12-14(2)23(21-13)19-20-17-11-7-6-10-16(17)18(24)22(19)15-8-4-3-5-9-15/h3-12H,1-2H3"	CC1=CC(=NN1C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C	WNFDRMKTSXWTCF-UHFFFAOYSA-N
DG55406	"1-(2-Hydroxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one"	380667	"NSC666361; CHEMBL1964786; NSC-666361; NCI60_023059; 1-(2-hydroxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one; 1-(2-Hydroxyphenyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666361	.	.	.	.	354.4	C21H14N4O2	71.2	552	3.4	27	1	4	2	"InChI=1S/C21H14N4O2/c26-18-13-7-5-11-16(18)19-22-23-21-24(14-8-2-1-3-9-14)20(27)15-10-4-6-12-17(15)25(19)21/h1-13,26H"	C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4C5=CC=CC=C5O	LJEATZMVKVKOFJ-UHFFFAOYSA-N
DG55407	"1-(4-Hydroxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one"	380671	"NSC666365; CHEMBL1999804; NSC-666365; NCI60_023063; 1-(4-hydroxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one; 1-(4-Hydroxyphenyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666365	.	.	.	.	354.4	C21H14N4O2	71.2	544	3.4	27	1	4	2	"InChI=1S/C21H14N4O2/c26-16-12-10-14(11-13-16)19-22-23-21-24(15-6-2-1-3-7-15)20(27)17-8-4-5-9-18(17)25(19)21/h1-13,26H"	C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4C5=CC=C(C=C5)O	QEEWROMIWCPNHC-UHFFFAOYSA-N
DG55408	"6-[2-(3,5-dibromo-4-hydroxyphenyl)ethylamino]-1H-benzimidazole-4,7-dione"	380677	NSC666377; CHEMBL1997280; NSC-666377; NCI60_023065	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666377	.	.	.	.	441.07	C15H11Br2N3O3	95.1	516	3.4	23	3	5	4	"InChI=1S/C15H11Br2N3O3/c16-8-3-7(4-9(17)14(8)22)1-2-18-10-5-11(21)12-13(15(10)23)20-6-19-12/h3-6,18,22H,1-2H2,(H,19,20)"	C1=C(C=C(C(=C1Br)O)Br)CCNC2=CC(=O)C3=C(C2=O)NC=N3	FCYQOXDAMBJJMS-UHFFFAOYSA-N
DG55409	17-O-Acetylacuminolide	380682	NSC666384; 17-O-Acetylacuminolide; CHEMBL1971100; NSC-666384; NCI60_023066	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666384	.	.	.	.	392.5	C22H32O6	82.1	712	3.1	28	1	6	4	"InChI=1S/C22H32O6/c1-13(23)26-12-22-9-6-16-20(2,3)7-5-8-21(16,4)17(22)11-15(28-22)14-10-18(24)27-19(14)25/h10,15-17,19,25H,5-9,11-12H2,1-4H3/t15-,16-,17+,19+,21-,22-/m0/s1"	CC(=O)OC[C@@]12CC[C@@H]3[C@@]([C@H]1C[C@H](O2)C4=CC(=O)O[C@H]4O)(CCCC3(C)C)C	NOFRYDHCCCFKCU-IHBVCYBESA-N
DG55410	"(4bR,12aS)-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromen-2-one"	380696	"NSC666401; CHEMBL2000018; NSC-666401; NCI60_023077; 2H-Phenanthro[2, 3,4,4a,4b,5,6- 10b,11,12,12a-decahydro-8-methoxy-12a-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666401	.	.	.	.	300.4	C19H24O3	35.5	448	3.7	22	0	3	1	"InChI=1S/C19H24O3/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(20)22-19/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15 ,16-,17 ,19+/m1/s1"	C[C@]12CCC3[C@H](C1CCC(=O)O2)CCC4=C3C=CC(=C4)OC	INHMMEWBTMZXLR-AFNJWWOFSA-N
DG55411	"4-[Hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol"	380720	"NSC666426; [hydroxy(diphenyl)methyl][ ]ol; CHEMBL2001027; NSC-666426; NCI60_023098; 1,4-Methanopentalene-2-methanol, octahydro-7-hydroxy-.alpha.,.alpha.-diphenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666426	.	.	.	.	320.4	C22H24O2	40.5	445	3.8	24	2	2	3	"InChI=1S/C22H24O2/c23-21-17-12-11-16-18(17)13-19(20(16)21)22(24,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-21,23-24H,11-13H2"	C1CC2C3C1C(C2O)C(C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O	XWSHAONUVZUKOY-UHFFFAOYSA-N
DG55412	"2-[(9-Methylidene-2-tricyclo[4.3.0.03,8]nonanyl)oxycarbonyl]benzoic acid"	380727	"NSC666434; CHEMBL1975222; NSC-666434; NCI60_023103; 2-(methylene[ ]yl)oxycarbonylbenzoic acid; 2-(((9-Methylenetricyclo[4.3.0.0~3,8~]non-2-yl)oxy)carbonyl)benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666434	.	.	.	.	298.3	C18H18O4	63.6	525	3.2	22	1	4	4	"InChI=1S/C18H18O4/c1-9-14-8-10-6-7-11(14)16(15(9)10)22-18(21)13-5-3-2-4-12(13)17(19)20/h2-5,10-11,14-16H,1,6-8H2,(H,19,20)"	C=C1C2CC3C1C(C2CC3)OC(=O)C4=CC=CC=C4C(=O)O	FVXIKFDJSKTCEW-UHFFFAOYSA-N
DG55413	"1,4-Dichloro-7,7-dimethoxybicyclo[2.2.1]hept-2-yl acetate"	380733	"NSC666440; 1,4-Dichloro-7,7-dimethoxybicyclo[2.2.1]hept-2-yl acetate; CHEMBL2001990; NSC-666440; NCI60_023107; (1,4-dichloro-7,7-dimethoxy-norbornan-2-yl) acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666440	.	.	.	.	283.14	C11H16Cl2O4	44.8	344	1.4	17	0	4	4	"InChI=1S/C11H16Cl2O4/c1-7(14)17-8-6-9(12)4-5-10(8,13)11(9,15-2)16-3/h8H,4-6H2,1-3H3"	CC(=O)OC1CC2(CCC1(C2(OC)OC)Cl)Cl	SNARFCHDDVFFME-UHFFFAOYSA-N
DG55414	"3-(((4-Oxo-2-phenyl-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid"	380743	"NSC666450; 3-(((4-Oxo-2-phenyl-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid; CHEMBL1971278; NSC-666450; NCI60_023114; 3-[(4-oxo-2-phenyl-thiazolidin-3-yl)sulfamoyl]benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666450	.	.	.	.	378.4	C16H14N2O5S2	138	613	2.2	25	2	7	5	"InChI=1S/C16H14N2O5S2/c19-14-10-24-15(11-5-2-1-3-6-11)18(14)17-25(22,23)13-8-4-7-12(9-13)16(20)21/h1-9,15,17H,10H2,(H,20,21)"	C1C(=O)N(C(S1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O	IWTUOIQXBAXIDN-UHFFFAOYSA-N
DG55415	3-[2-(2-Chloro-phenyl)-4-oxo-thiazolidin-3-ylsulfamoyl]-benzoic acid	380745	NSC666452; 3-[2-(2-Chloro-phenyl)-4-oxo-thiazolidin-3-ylsulfamoyl]-benzoic acid; CHEMBL1988924; NSC-666452; NCI60_023116; 3-[[2-(2-chlorophenyl)-4-oxo-thiazolidin-3-yl]sulfamoyl]benzoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666452	.	.	.	.	412.9	C16H13ClN2O5S2	138	654	2.8	26	2	7	5	"InChI=1S/C16H13ClN2O5S2/c17-13-7-2-1-6-12(13)15-19(14(20)9-25-15)18-26(23,24)11-5-3-4-10(8-11)16(21)22/h1-8,15,18H,9H2,(H,21,22)"	C1C(=O)N(C(S1)C2=CC=CC=C2Cl)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O	QSWJGZBNYAJQNF-UHFFFAOYSA-N
DG55416	"3-(((2-(4-(Dimethylamino)phenyl)-4-oxo-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid"	380747	"NSC666454; 3-(((2-(4-(Dimethylamino)phenyl)-4-oxo-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid; CHEMBL2001407; NSC-666454; NCI60_023118; 3-[[2-(4-dimethylaminophenyl)-4-oxo-thiazolidin-3-yl]sulfamoyl]benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666454	.	.	.	.	421.5	C18H19N3O5S2	141	686	2.3	28	2	8	6	"InChI=1S/C18H19N3O5S2/c1-20(2)14-8-6-12(7-9-14)17-21(16(22)11-27-17)19-28(25,26)15-5-3-4-13(10-15)18(23)24/h3-10,17,19H,11H2,1-2H3,(H,23,24)"	CN(C)C1=CC=C(C=C1)C2N(C(=O)CS2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O	CUYFIUFFEXPVFB-UHFFFAOYSA-N
DG55417	"3-(((2-(2-Hydroxy-1-naphthyl)-4-oxo-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid"	380748	"NSC666455; 3-(((2-(2-Hydroxy-1-naphthyl)-4-oxo-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid; CHEMBL1992412; NSC-666455; NCI60_023119; 3-[[2-(2-hydroxy-1-naphthyl)-4-oxo-thiazolidin-3-yl]sulfamoyl]benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666455	.	.	.	.	444.5	C20H16N2O6S2	158	770	3.1	30	3	8	5	"InChI=1S/C20H16N2O6S2/c23-16-9-8-12-4-1-2-7-15(12)18(16)19-22(17(24)11-29-19)21-30(27,28)14-6-3-5-13(10-14)20(25)26/h1-10,19,21,23H,11H2,(H,25,26)"	C1C(=O)N(C(S1)C2=C(C=CC3=CC=CC=C32)O)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O	IGYZXJCGDWQACZ-UHFFFAOYSA-N
DG55418	"Spiro[cyclohexane-1,2'-[2H]inden]-4-one, 1',3'-dihydro-1'-hydroxy-"	380764	"NSC666472; Spiro[cyclohexane-1,2'-[2H]inden]-4-one, 1',3'-dihydro-1'-hydroxy-; CHEMBL1970141; SCHEMBL11705323; NSC-666472; NCI60_023135; 1'-hydroxyspiro[cyclohexane-4,2'-indane]-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666472	.	.	.	.	216.27	C14H16O2	37.3	287	1.4	16	1	2	0	"InChI=1S/C14H16O2/c15-11-5-7-14(8-6-11)9-10-3-1-2-4-12(10)13(14)16/h1-4,13,16H,5-9H2"	C1CC2(CCC1=O)CC3=CC=CC=C3C2O	IXTAMFDGXLKNTG-UHFFFAOYSA-N
DG55419	"Spiro[cyclohexane-1,2'-[2H]indene]-1',4(3'H)-dione, 3',3'-dimethyl-"	380765	"NSC666473; Spiro[cyclohexane-1,2'-[2H]indene]-1',4(3'H)-dione, 3',3'-dimethyl-; CHEMBL1984898; ZINC393266; AKOS024322814; MCULE-7932280199; NSC-666473; NCI60_023136; 3',3'-dimethylspiro[cyclohexane-4,2'-indane]-1,1'-dione; 1',1'-DIMETHYLSPIRO[CYCLOHEXANE-1,2'-INDENE]-3',4(1'H)-DIONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666473	.	.	.	.	242.31	C16H18O2	34.1	384	2.6	18	0	2	0	"InChI=1S/C16H18O2/c1-15(2)13-6-4-3-5-12(13)14(18)16(15)9-7-11(17)8-10-16/h3-6H,7-10H2,1-2H3"	CC1(C2=CC=CC=C2C(=O)C13CCC(=O)CC3)C	DFQSSQNWNNFISJ-UHFFFAOYSA-N
DG55420	6-(3-Carboxypropanoyl)-1-indanecarboxylic acid	380769	NSC666479; CHEMBL1985656; NSC-666479; NCI60_023141; 6-(3-Carboxypropanoyl)-1-indanecarboxylic acid; 6-(4-hydroxy-4-oxo-butanoyl)indane-1-carboxylic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666479	.	.	.	.	262.26	C14H14O5	91.7	389	0.9	19	2	5	5	"InChI=1S/C14H14O5/c15-12(5-6-13(16)17)9-2-1-8-3-4-10(14(18)19)11(8)7-9/h1-2,7,10H,3-6H2,(H,16,17)(H,18,19)"	C1CC2=C(C1C(=O)O)C=C(C=C2)C(=O)CCC(=O)O	GRRJOCKDRZPXAI-UHFFFAOYSA-N
DG55421	"3-Methyl-5,10-dihydro-10-phenophosphazinol 10-oxide"	380774	"NSC666485; 3-Methyl-5,10-dihydro-10-phenophosphazinol 10-oxide; 10-hydroxy-3-methyl-5H-phenophosphazinine 10-oxide; CHEMBL1997921; ZINC1642171; NSC-666485; NCI60_023146"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666485	.	.	.	.	245.21	C13H12NO2P	49.3	346	2	17	2	3	0	"InChI=1S/C13H12NO2P/c1-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)17(13,15)16/h2-8,14H,1H3,(H,15,16)"	CC1=CC2=C(C=C1)P(=O)(C3=CC=CC=C3N2)O	IUROKZNOFFMIBO-UHFFFAOYSA-N
DG55422	"spiro[5H-phenophosphazinine-10,10'-phenophosphazinine]"	380780	"NSC666490; CHEMBL1996554; spiro[5H-phenophosphazinine-10,10'-phenophosphazinine]; NSC-666490; 10(5H),10'-Spirobi[phenophosphazine]; NCI60_023151"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666490	.	.	.	.	364.4	C24H17N2P	24.9	505	3.7	27	1	2	0	"InChI=1S/C24H17N2P/c1-5-13-21-17(9-1)25-18-10-2-6-14-22(18)27(21)23-15-7-3-11-19(23)26-20-12-4-8-16-24(20)27/h1-16,25H"	C1=CC=C2C(=C1)NC3=CC=CC=C3P24=C5C=CC=CC5=NC6=CC=CC=C46	LTMWXVYDOFUDBN-UHFFFAOYSA-N
DG55423	"10,11-Dihydro-5H-dibenzo[b,f]phosphepin-5-ol 5-oxide"	380781	"NSC666491; 10,11-Dihydro-5H-dibenzo[b,f]phosphepin-5-ol 5-oxide; CHEMBL1970169; 11-hydroxy-5,6-dihydrobenzo[b][1]benzophosphepine 11-oxide; ZINC1642174; NSC-666491; NCI60_023152"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666491	.	.	.	.	244.22	C14H13O2P	37.3	300	2.3	17	1	2	0	"InChI=1S/C14H13O2P/c15-17(16)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H,15,16)"	C1CC2=CC=CC=C2P(=O)(C3=CC=CC=C31)O	FDCCXBNBWLWDGD-UHFFFAOYSA-N
DG55424	5-Benzyl-5H-benzo[b]phosphindole 5-oxide	380786	NSC666496; 5-Benzyl-5H-benzo[b]phosphindole 5-oxide; 5-benzylbenzo[b]phosphindole 5-oxide; 5-benzyldibenzophosphol oxide; CHEMBL2001281; ZINC1642179; NSC-666496; NCI60_023156	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666496	.	.	.	.	290.3	C19H15OP	17.1	386	3.7	21	0	1	2	"InChI=1S/C19H15OP/c20-21(14-15-8-2-1-3-9-15)18-12-6-4-10-16(18)17-11-5-7-13-19(17)21/h1-13H,14H2"	C1=CC=C(C=C1)CP2(=O)C3=CC=CC=C3C4=CC=CC=C24	WDWIJSHBEURMKM-UHFFFAOYSA-N
DG55425	2-Phenoxyphenylphosphonic acid	380790	NSC666508; 2-Phenoxyphenylphosphonic acid; (2-phenoxyphenyl)phosphonic acid; CHEMBL1974087; SCHEMBL10972815; ZINC1642182; NSC-666508; NCI60_023160	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666508	.	.	.	.	250.19	C12H11O4P	66.8	282	1.5	17	2	4	3	"InChI=1S/C12H11O4P/c13-17(14,15)12-9-5-4-8-11(12)16-10-6-2-1-3-7-10/h1-9H,(H2,13,14,15)"	C1=CC=C(C=C1)OC2=CC=CC=C2P(=O)(O)O	QJBGUHKUISPHMW-UHFFFAOYSA-N
DG55426	"Spiro[cyclopent[a]indene-2(8H),2'-[2H]indene]-1',8(3'H)-dione, 1,3,3a,8a-tetrahydro-1,3-diphenyl-"	380793	"NSC666513; CHEMBL2006306; NSC-666513; NCI60_023161; Spiro[cyclopent[a]indene-2(8H),2'-[2H]indene]-1',8(3'H)-dione, 1,3,3a,8a-tetrahydro-1,3-diphenyl-; 1,3-diphenylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-indane]-1',4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666513	.	.	.	.	440.5	C32H24O2	34.1	804	6.1	34	0	2	2	"InChI=1S/C32H24O2/c33-30-25-18-10-9-17-24(25)26-27(30)29(21-13-5-2-6-14-21)32(28(26)20-11-3-1-4-12-20)19-22-15-7-8-16-23(22)31(32)34/h1-18,26-29H,19H2"	C1C2=CC=CC=C2C(=O)C13C(C4C(C3C5=CC=CC=C5)C(=O)C6=CC=CC=C46)C7=CC=CC=C7	DERYTOHQOBYDNH-UHFFFAOYSA-N
DG55427	"16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde (non-preferred name)"	380797	"NSC666516; 16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde (non-preferred name); CHEMBL475544; STK126388; AKOS000369416; AKOS022086674; MCULE-4908496357; NSC-666516; NCI60_023164; 16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666516	.	.	.	.	303.3	C19H13NO3	63.2	561	1.2	23	1	3	1	"InChI=1S/C19H13NO3/c21-9-19-12-7-3-1-5-10(12)14(11-6-2-4-8-13(11)19)15-16(19)18(23)20-17(15)22/h1-9,14-16H,(H,20,22,23)"	C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)C=O)C(=O)NC4=O	JVMNCBOYLZFJBX-UHFFFAOYSA-N
DG55428	"1-(2-(1,3-Benzodioxol-5-yl)ethyl)-1,3,4,5,6,7-hexahydro-2H-cyclopenta[b]pyridin-2-one"	380798	"NSC666517; 1-(2-(1,3-Benzodioxol-5-yl)ethyl)-1,3,4,5,6,7-hexahydro-2H-cyclopenta[b]pyridin-2-one; CHEMBL1996847; ZINC1642191; NSC-666517; 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridin-2-one; NCI60_023165"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666517	.	.	.	.	285.34	C17H19NO3	38.8	459	2.1	21	0	3	3	"InChI=1S/C17H19NO3/c19-17-7-5-13-2-1-3-14(13)18(17)9-8-12-4-6-15-16(10-12)21-11-20-15/h4,6,10H,1-3,5,7-9,11H2"	C1CC2=C(C1)N(C(=O)CC2)CCC3=CC4=C(C=C3)OCO4	VYCGPCKLRRVRSX-UHFFFAOYSA-N
DG55429	1-((Phenylsulfinyl)methyl)cyclohexanol	380799	NSC666518; 1-((Phenylsulfinyl)methyl)cyclohexanol; CHEMBL1992535; 1-(benzenesulfinylmethyl)cyclohexanol; NSC-666518; NCI60_023166	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666518	.	.	.	.	238.35	C13H18O2S	56.5	240	2.5	16	1	3	3	"InChI=1S/C13H18O2S/c14-13(9-5-2-6-10-13)11-16(15)12-7-3-1-4-8-12/h1,3-4,7-8,14H,2,5-6,9-11H2"	C1CCC(CC1)(CS(=O)C2=CC=CC=C2)O	KVRLJSGGZODSGI-UHFFFAOYSA-N
DG55430	"3,3,5,8a-Tetramethyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione"	380805	"NSC666524; 3,3,5,8a-Tetramethyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione; CHEMBL1980555; 3,3,5,8a-tetramethyl-2,4,7,8-tetrahydronaphthalene-1,6-dione; NSC-666524; NCI60_023172"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666524	.	.	.	.	220.31	C14H20O2	34.1	401	1.8	16	0	2	0	"InChI=1S/C14H20O2/c1-9-10-7-13(2,3)8-12(16)14(10,4)6-5-11(9)15/h5-8H2,1-4H3"	CC1=C2CC(CC(=O)C2(CCC1=O)C)(C)C	INSMWTOXPYWLCT-UHFFFAOYSA-N
DG55431	"2,2-Dichloro-3-hexylcyclobutanone"	380807	"NSC666526; 2,2-Dichloro-3-hexylcyclobutanone; CHEMBL1997977; 2,2-dichloro-3-hexyl-cyclobutanone; NSC-666526; NCI60_023174"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666526	.	.	.	.	223.14	C10H16Cl2O	17.1	189	4.2	13	0	1	5	"InChI=1S/C10H16Cl2O/c1-2-3-4-5-6-8-7-9(13)10(8,11)12/h8H,2-7H2,1H3"	CCCCCCC1CC(=O)C1(Cl)Cl	REPMSXFRZYPQTI-UHFFFAOYSA-N
DG55432	1-Cyclopropyl-2-diethoxyphosphoryl-ethanone	380811	NSC666531; 67257-33-4; Diethyl 2-cyclopropyl-2-oxoethylphosphonate; SCHEMBL1131216; CHEMBL1988521; DTXSID80327565; ZINC1642208; MFCD29066833; NSC-666531; NCI60_023178; 1-cyclopropyl-2-diethoxyphosphoryl-ethanone; (2-cyclopropyl-2-oxoethyl)-phosphonic acid diethyl ester; (2-cyclopropyl-2-oxoethyl)phosphonic acid diethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666531	.	.	.	.	220.2	C9H17O4P	52.6	237	0.4	14	0	4	7	"InChI=1S/C9H17O4P/c1-3-12-14(11,13-4-2)7-9(10)8-5-6-8/h8H,3-7H2,1-2H3"	CCOP(=O)(CC(=O)C1CC1)OCC	MEOUMIDMNOIQIQ-UHFFFAOYSA-N
DG55433	(3-(Cyclopropylidenemethoxy)-1-propynyl)(trimethyl)silane	380812	NSC666532; (3-(Cyclopropylidenemethoxy)-1-propynyl)(trimethyl)silane; CHEMBL1998290; ZINC195498918; NSC-666532; NCI60_023179; 3-(cyclopropylidenemethoxy)prop-1-ynyl-trimethyl-silane; Cyclopropylidenemethyl 3-(trimethylsilyl)-2-propynyl ether	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666532	.	.	.	.	180.32	C10H16OSi	9.2	240	.	12	0	1	3	"InChI=1S/C10H16OSi/c1-12(2,3)8-4-7-11-9-10-5-6-10/h9H,5-7H2,1-3H3"	C[Si](C)(C)C#CCOC=C1CC1	NPIIIYVZKHQUAW-UHFFFAOYSA-N
DG55434	"3,3,6,6-Tetramethyl-2,7-octanedione"	380813	"NSC666534; 3,3,6,6-Tetramethyl-2,7-octanedione; 3,3,6,6-tetramethyloctane-2,7-dione; CHEMBL1971659; SCHEMBL13400166; NSC-666534; NCI60_023180"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666534	.	.	.	.	198.3	C12H22O2	34.1	211	2.1	14	0	2	5	"InChI=1S/C12H22O2/c1-9(13)11(3,4)7-8-12(5,6)10(2)14/h7-8H2,1-6H3"	CC(=O)C(C)(C)CCC(C)(C)C(=O)C	HQMGKHLRNOJTKX-UHFFFAOYSA-N
DG55435	"Triethyl 2-phenyl-1,3,3-butanetricarboxylate"	380814	"NSC666535; Triethyl 2-phenyl-1,3,3-butanetricarboxylate; CHEMBL1980216; NSC-666535; NCI60_023181; triethyl 1-methyl-2-phenyl-propane-1,1,3-tricarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666535	.	.	.	.	350.4	C19H26O6	78.9	435	3.2	25	0	6	12	"InChI=1S/C19H26O6/c1-5-23-16(20)13-15(14-11-9-8-10-12-14)19(4,17(21)24-6-2)18(22)25-7-3/h8-12,15H,5-7,13H2,1-4H3"	CCOC(=O)CC(C1=CC=CC=C1)C(C)(C(=O)OCC)C(=O)OCC	MZHRBTMGSWUPTI-UHFFFAOYSA-N
DG55436	"5,5-Dibenzyl-2,2-dimethyl-1,3-dioxane-4,6-dione"	380818	"NSC666540; 5,5-Dibenzyl-2,2-dimethyl-1,3-dioxane-4,6-dione; CHEMBL1972239; SCHEMBL16174713; ZINC1435745; STK095497; AKOS005395692; MCULE-1596499856; NSC-666540; Dibenzylmalonic acid isopropylidene ester; NCI60_023185; SR-01000513640; SR-01000513640-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666540	.	.	.	.	324.4	C20H20O4	52.6	428	4.4	24	0	4	4	"InChI=1S/C20H20O4/c1-19(2)23-17(21)20(18(22)24-19,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3"	CC1(OC(=O)C(C(=O)O1)(CC2=CC=CC=C2)CC3=CC=CC=C3)C	KAWSTBSZVJLBEZ-UHFFFAOYSA-N
DG55437	11beta-Hydroxy estradiol-11-nitrate-3-acetate	380839	"NSC666569; CHEMBL1996560; NSC-666569; NCI60_023199; 11.beta.-hydroxy estradiol-11-nitrate-3-acetate; 3,17.beta.-trihydroxy-estra-1,3,5(10)-tirene-11-nitrate-3-acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666569	.	.	.	.	375.4	C20H25NO6	102	606	2.6	27	1	6	3	"InChI=1S/C20H25NO6/c1-11(22)26-13-4-6-14-12(9-13)3-5-15-16-7-8-18(23)20(16,2)10-17(19(14)15)27-21(24)25/h4,6,9,15-19,23H,3,5,7-8,10H2,1-2H3/t15-,16 ,17-,18-,19 ,20-/m0/s1"	CC(=O)OC1=CC2=C(C=C1)C3[C@@H](CC2)C4CC[C@@H]([C@]4(C[C@@H]3O[N+](=O)[O-])C)O	UPINFWLBXPICIJ-SZMDNOMZSA-N
DG55438	"[(8S,11S,13S,17S)-3,17-dihydroxy-7,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] nitrate"	380841	"NSC666571; NSC-666571; NCI60_023201; 7.alpha.-Methyl-3,17.beta.-trihydroxy estra-1,3,5(10)triene 11-nitrate ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666571	.	.	.	.	347.4	C19H25NO5	95.5	536	4	25	2	5	1	"InChI=1S/C19H25NO5/c1-10-7-11-8-12(21)3-4-13(11)18-15(25-20(23)24)9-19(2)14(17(10)18)5-6-16(19)22/h3-4,8,10,14-18,21-22H,5-7,9H2,1-2H3/t10 ,14 ,15-,16-,17-,18 ,19-/m0/s1"	CC1CC2=C(C=CC(=C2)O)C3[C@@H]1C4CC[C@@H]([C@]4(C[C@@H]3O[N+](=O)[O-])C)O	JHSXXDAPXQEHEW-ZLYJGEMTSA-N
DG55439	"7H-Pyrrolo[2,3-d]pyrimidine, 5-(4-chlorophenyl)-4-hydrazino-7-(4-methylphenyl)-"	380843	"NSC666583; 7H-Pyrrolo[2,3-d]pyrimidine, 5-(4-chlorophenyl)-4-hydrazino-7-(4-methylphenyl)-; CHEMBL2004820; ZINC1642242; NSC-666583; NCI60_023203; [5-(4-chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666583	.	.	.	.	349.8	C19H16ClN5	68.8	434	4.5	25	2	4	3	"InChI=1S/C19H16ClN5/c1-12-2-8-15(9-3-12)25-10-16(13-4-6-14(20)7-5-13)17-18(24-21)22-11-23-19(17)25/h2-11H,21H2,1H3,(H,22,23,24)"	CC1=CC=C(C=C1)N2C=C(C3=C(N=CN=C32)NN)C4=CC=C(C=C4)Cl	UEMNOEQOZQKKOV-UHFFFAOYSA-N
DG55440	"7H-Pyrrolo[2,3-d]pyrimidinium, 4-amino-5-(4-chlorophenyl)-1-ethyl-7-(4-methylphenyl)-, iodide"	380844	"NSC666584; 7H-Pyrrolo[2,3-d]pyrimidinium, 4-amino-5-(4-chlorophenyl)-1-ethyl-7-(4-methylphenyl)-, iodide; CHEMBL1997701; NSC-666584; 5-(4-chlorophenyl)-1-ethyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-1-ium-4-amine hydroiodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666584	.	.	.	.	490.8	C21H20ClIN4	47.7	459	.	27	1	3	3	"InChI=1S/C21H19ClN4.HI/c1-3-25-13-24-20(23)19-18(15-6-8-16(22)9-7-15)12-26(21(19)25)17-10-4-14(2)5-11-17;/h4-13,23H,3H2,1-2H3;1H"	CC[N+]1=C2C(=C(N=C1)N)C(=CN2C3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl.[I-]	DWADVQLBFRZPEI-UHFFFAOYSA-N
DG55441	"Phenethyl 3-(3,4-dihydroxyphenyl)propanoate"	380847	"NSC666586; CHEMBL133992; phenethyl 3-(3,4-dihydroxyphenyl)propanoate; SCHEMBL490480; BDBM50029211; NSC-666586; NCI60_023206; 2-phenylethyl 3-(3,4-dihydroxyphenyl)-propionate; 3,4-Dihydroxybenzenepropanoic acid phenethyl ester; .beta.-Phenylethyl 3-(3,4-dihydroxyphenyl)propanoate; 3-(3,4-Dihydroxy-phenyl)-propionic acid phenethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666586	.	.	.	.	286.32	C17H18O4	66.8	312	2.6	21	2	4	7	"InChI=1S/C17H18O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-6,8,12,18-19H,7,9-11H2"	C1=CC=C(C=C1)CCOC(=O)CCC2=CC(=C(C=C2)O)O	HRJHXJRZYZYNAT-UHFFFAOYSA-N
DG55442	"5-(6,7-Dihydroxy-2-naphthyl)salicylic acid"	380855	"CHEMBL103684; NSC666595; ZINC1642258; BDBM50046061; NSC-666595; NCI60_023212; 5-(6,7-Dihydroxy-2-naphthyl)salicylic acid; 5-(6,7-Dihydroxy-naphthalen-2-yl)-2-hydroxy-benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666595	.	.	.	.	296.27	C17H12O5	98	412	3.8	22	4	5	2	"InChI=1S/C17H12O5/c18-14-4-3-10(6-13(14)17(21)22)9-1-2-11-7-15(19)16(20)8-12(11)5-9/h1-8,18-20H,(H,21,22)"	C1=CC2=CC(=C(C=C2C=C1C3=CC(=C(C=C3)O)C(=O)O)O)O	KDDWCZCIYASQHC-UHFFFAOYSA-N
DG55443	"5-(5,6-Dihydroxy-2-naphthyl)salicylic acid"	380856	"CHEMBL103960; NSC666596; ZINC1642259; BDBM50046063; NSC-666596; NCI60_023213; 5-(5,6-Dihydroxy-2-naphthyl)salicylic acid; 5-(5,6-Dihydroxy-naphthalen-2-yl)-2-hydroxy-benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666596	.	.	.	.	296.27	C17H12O5	98	412	3.8	22	4	5	2	"InChI=1S/C17H12O5/c18-14-5-2-10(8-13(14)17(21)22)9-1-4-12-11(7-9)3-6-15(19)16(12)20/h1-8,18-20H,(H,21,22)"	C1=CC2=C(C=CC(=C2O)O)C=C1C3=CC(=C(C=C3)O)C(=O)O	QJRMBVHUIFAURR-UHFFFAOYSA-N
DG55444	"5-(5,8-Dihydroxy-2-naphthyl)salicylic acid"	380857	"CHEMBL100446; NSC666597; ZINC1642260; BDBM50046060; NSC-666597; NCI60_023214; 5-(5,8-Dihydroxy-2-naphthyl)salicylic acid; 5-(5,8-Dihydroxy-naphthalen-2-yl)-2-hydroxy-benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666597	.	.	.	.	296.27	C17H12O5	98	412	3.8	22	4	5	2	"InChI=1S/C17H12O5/c18-14-5-6-15(19)12-7-9(1-3-11(12)14)10-2-4-16(20)13(8-10)17(21)22/h1-8,18-20H,(H,21,22)"	C1=CC2=C(C=CC(=C2C=C1C3=CC(=C(C=C3)O)C(=O)O)O)O	GUEWNLOSODPWHP-UHFFFAOYSA-N
DG55445	"5-(3,4-Dihydroxyphenethyl)salicylic acid"	380860	"CHEMBL102821; NSC666600; ZINC1642264; BDBM50040296; NSC-666600; 5-(3,4-Dihydroxyphenethyl)salicylic acid; NCI60_023217; 5-[2-(3,4-Dihydroxy-phenyl)-ethyl]-2-hydroxy-benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666600	.	.	.	.	274.27	C15H14O5	98	332	3.9	20	4	5	4	"InChI=1S/C15H14O5/c16-12-5-3-9(7-11(12)15(19)20)1-2-10-4-6-13(17)14(18)8-10/h3-8,16-18H,1-2H2,(H,19,20)"	C1=CC(=C(C=C1CCC2=CC(=C(C=C2)O)O)C(=O)O)O	ZJYYJIKJRQVSND-UHFFFAOYSA-N
DG55446	NSC666606	380865	"[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-diacetyloxy-15-[(2R,3S)-3-[(2,3-dihydroxy-2-methylbutanoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC666606; NSC-666606; NCI60_023223"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666606	.	.	.	.	865.9	C45H55NO16	262	1820	0.2	62	6	16	15	"InChI=1S/C45H55NO16/c1-22-28(60-39(54)33(51)32(26-15-11-9-12-16-26)46-40(55)43(8,56)23(2)47)20-45(57)37(61-38(53)27-17-13-10-14-18-27)35-42(7,29(50)19-30-44(35,21-58-30)62-25(4)49)36(52)34(59-24(3)48)31(22)41(45,5)6/h9-18,23,28-30,32-35,37,47,50-51,56-57H,19-21H2,1-8H3,(H,46,55)/t23 ,28 ,29-,30+,32-,33+,34+,35-,37-,42+,43 ,44-,45+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(CC1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C(C)(C(C)O)O)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C	LGBYWBOICYQBHE-QCMCBIADSA-N
DG55447	NSC666607	380866	"[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC666607; NSC-666607; NCI60_023224"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666607	.	.	.	.	839.9	C43H53NO16	244	1760	2.5	60	4	16	15	"InChI=1S/C43H53NO16/c1-21-26(57-37(51)31(48)30(25-16-13-17-54-25)44-38(52)60-39(4,5)6)19-43(53)35(58-36(50)24-14-11-10-12-15-24)33-41(9,27(47)18-28-42(33,20-55-28)59-23(3)46)34(49)32(56-22(2)45)29(21)40(43,7)8/h10-17,26-28,30-33,35,47-48,53H,18-20H2,1-9H3,(H,44,52)/t26 ,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(CC1OC(=O)[C@@H]([C@H](C5=CC=CO5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C	ALYCNCTXENAHTH-MHHMHYQJSA-N
DG55448	NSC666608	380867	"[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-naphthalen-2-ylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC666608; NSC-666608; NCI60_023225"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666608	.	.	.	.	904	C51H53NO14	221	1940	3.7	66	4	14	14	"InChI=1S/C51H53NO14/c1-27-35(64-47(60)40(56)39(52-45(58)31-16-9-7-10-17-31)34-22-21-30-15-13-14-20-33(30)23-34)25-51(61)44(65-46(59)32-18-11-8-12-19-32)42-49(6,36(55)24-37-50(42,26-62-37)66-29(3)54)43(57)41(63-28(2)53)38(27)48(51,4)5/h7-23,35-37,39-42,44,55-56,61H,24-26H2,1-6H3,(H,52,58)/t35 ,36-,37+,39-,40+,41+,42-,44-,49+,50-,51+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(CC1OC(=O)[C@@H]([C@H](C5=CC6=CC=CC=C6C=C5)NC(=O)C7=CC=CC=C7)O)O)OC(=O)C8=CC=CC=C8)(CO4)OC(=O)C)O)C)OC(=O)C	GUHNFDXVLMYXPY-TWLIEMHASA-N
DG55449	"Ethyl 4-(((2-oxo-3-phenyl-2H-1,4-benzoxazin-6-yl)methyl)amino)benzoate"	380869	"NSC666612; Ethyl 4-(((2-oxo-3-phenyl-2H-1,4-benzoxazin-6-yl)methyl)amino)benzoate; CHEMBL1993750; ethyl 4-[(2-oxo-3-phenyl-1,4-benzoxazin-6-yl)methylamino]benzoate; NSC-666612; NCI60_023227"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666612	.	.	.	.	400.4	C24H20N2O4	77	635	4.6	30	1	6	7	"InChI=1S/C24H20N2O4/c1-2-29-23(27)18-9-11-19(12-10-18)25-15-16-8-13-21-20(14-16)26-22(24(28)30-21)17-6-4-3-5-7-17/h3-14,25H,2,15H2,1H3"	CCOC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)OC(=O)C(=N3)C4=CC=CC=C4	DPNVDWUURGMMCV-UHFFFAOYSA-N
DG55450	"4-Bromo-3,5-di-tert-butyl-2-oxido-2-phenyl-2,5-dihydro-1,2-oxaphosphol-5-yl trifluoroacetate"	380875	"NSC666659; 4-Bromo-3,5-di-tert-butyl-2-oxido-2-phenyl-2,5-dihydro-1,2-oxaphosphol-5-yl trifluoroacetate; CHEMBL1974464; NSC-666659; NCI60_023233; (4-bromo-3,5-ditert-butyl-2-oxo-2-phenyl-1,2$l^{5}-oxaphosphol-5-yl) 2,2,2-trifluoroacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666659	.	.	.	.	483.3	C19H23BrF3O4P	52.6	712	5.8	28	0	7	5	"InChI=1S/C19H23BrF3O4P/c1-16(2,3)14-13(20)18(17(4,5)6,26-15(24)19(21,22)23)27-28(14,25)12-10-8-7-9-11-12/h7-11H,1-6H3"	CC(C)(C)C1=C(C(OP1(=O)C2=CC=CC=C2)(C(C)(C)C)OC(=O)C(F)(F)F)Br	FDZCNBUFEJKISK-UHFFFAOYSA-N
DG55451	"4-Bromo-3,5-di-tert-butyl-5-fluoro-2-phenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide"	380876	"NSC666660; 4-Bromo-3,5-di-tert-butyl-5-fluoro-2-phenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide; CHEMBL1988406; NSC-666660; NCI60_023234; 4-bromo-3,5-ditert-butyl-5-fluoro-2-phenyl-1,2$l^{5}-oxaphosphole 2-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666660	.	.	.	.	389.2	C17H23BrFO2P	26.3	524	5.1	22	0	3	3	"InChI=1S/C17H23BrFO2P/c1-15(2,3)14-13(18)17(19,16(4,5)6)21-22(14,20)12-10-8-7-9-11-12/h7-11H,1-6H3"	CC(C)(C)C1=C(C(OP1(=O)C2=CC=CC=C2)(C(C)(C)C)F)Br	VIAXKCVQAGAVNG-UHFFFAOYSA-N
DG55452	"4-Bromo-5,5-dimethyl-2-phenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide"	380878	"NSC666662; 4-Bromo-5,5-dimethyl-2-phenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide; CHEMBL1982719; NSC-666662; NCI60_023236; 4-bromo-5,5-dimethyl-2-phenyl-1,2$l^{5}-oxaphosphole 2-oxide; 2-Phenyl-4-bromo-5,5-dimethyl-2,5-dihydro-1,2-oxaphosphole 2-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666662	.	.	.	.	287.09	C11H12BrO2P	26.3	330	2	15	0	2	1	"InChI=1S/C11H12BrO2P/c1-11(2)10(12)8-15(13,14-11)9-6-4-3-5-7-9/h3-8H,1-2H3"	CC1(C(=CP(=O)(O1)C2=CC=CC=C2)Br)C	UZZAFLQYWCVDRQ-UHFFFAOYSA-N
DG55453	"3,5-Di-tert-butyl-5-methoxy-2,5-dihydro-1,2-oxaphosphol-2-ol 2-oxide"	380879	"NSC666663; 3,5-Di-tert-butyl-5-methoxy-2,5-dihydro-1,2-oxaphosphol-2-ol 2-oxide; CHEMBL1981197; NSC-666663; NCI60_023237; 3,5-ditert-butyl-2-hydroxy-5-methoxy-1,2$l^{5}-oxaphosphole 2-oxide; 2-Hydroxy-5-methoxy-3,5-di-tert-butyl-2,5-dihydro-1,2-oxaphosphole 2-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666663	.	.	.	.	262.28	C12H23O4P	55.8	386	2.2	17	1	4	3	"InChI=1S/C12H23O4P/c1-10(2,3)9-8-12(15-7,11(4,5)6)16-17(9,13)14/h8H,1-7H3,(H,13,14)"	CC(C)(C)C1=CC(OP1(=O)O)(C(C)(C)C)OC	DDEXGUAPNVKCGP-UHFFFAOYSA-N
DG55454	"1,2-Oxaphosphole, 4-[(2,4-dinitrophenyl)thio]-2-ethoxy-2,5-dihydro-5,5-dimethyl-, 2-oxide"	380883	"NSC666667; MLS002702177; 1,2-Oxaphosphole, 4-[(2,4-dinitrophenyl)thio]-2-ethoxy-2,5-dihydro-5,5-dimethyl-, 2-oxide; CHEMBL1895408; NSC-666667; NCI60_023241; SMR001565740; 4-(2,4-dinitrophenyl)sulfanyl-2-ethoxy-5,5-dimethyl-1,2$l^{5}-oxaphosphole 2-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666667	.	.	.	.	374.31	C13H15N2O7PS	153	598	1.9	24	0	8	4	"InChI=1S/C13H15N2O7PS/c1-4-21-23(20)8-12(13(2,3)22-23)24-11-6-5-9(14(16)17)7-10(11)15(18)19/h5-8H,4H2,1-3H3"	CCOP1(=O)C=C(C(O1)(C)C)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]	ZXXJUBCXDGHKFW-UHFFFAOYSA-N
DG55455	"Phosphonic acid, [1-(1,1-dimethylethyl)-4,4-dimethyl-1,2-pentadienyl]-"	380888	"NSC666672; 42087-76-3; Phosphonic acid, [1-(1,1-dimethylethyl)-4,4-dimethyl-1,2-pentadienyl]-; CHEMBL1965595; SCHEMBL11431834; 1-tert-Butyl-4,4-dimethyl-1,2-pentadienylphosphonic acid; DTXSID10327573; ZINC1642305; NSC-666672; NCI60_023246; (1-tert-butyl-4,4-dimethyl-penta-1,2-dienyl)phosphonic acid; 1-tert-Butyl-4,4-dimethyl-1,2-pentadienylphosphonic acid #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666672	.	.	.	.	232.26	C11H21O3P	57.5	330	1.7	15	2	3	3	"InChI=1S/C11H21O3P/c1-10(2,3)8-7-9(11(4,5)6)15(12,13)14/h8H,1-6H3,(H2,12,13,14)"	CC(C)(C)C=C=C(C(C)(C)C)P(=O)(O)O	BZUVLAULGXOKJL-UHFFFAOYSA-N
DG55456	3-Oxo-3-phenyl-1-propynyl(phenyl)phosphinic acid	380897	NSC666679; 3-Oxo-3-phenyl-1-propynyl(phenyl)phosphinic acid; CHEMBL1979592; NSC-666679; NCI60_023253; (3-oxo-3-phenyl-prop-1-ynyl)-phenyl-phosphinic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666679	.	.	.	.	270.22	C15H11O3P	54.4	431	2.5	19	1	3	2	"InChI=1S/C15H11O3P/c16-15(13-7-3-1-4-8-13)11-12-19(17,18)14-9-5-2-6-10-14/h1-10H,(H,17,18)"	C1=CC=C(C=C1)C(=O)C#CP(=O)(C2=CC=CC=C2)O	JRNHECCROQCCDW-UHFFFAOYSA-N
DG55457	"1,1,10,10-Tetramethoxycyclooctadecane"	380899	"NSC666681; 1,1,10,10-Tetramethoxycyclooctadecane; CHEMBL1994742; NSC-666681; NCI60_023254"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666681	.	.	.	.	372.6	C22H44O4	36.9	268	6.6	26	0	4	4	"InChI=1S/C22H44O4/c1-23-21(24-2)17-13-9-5-7-11-15-19-22(25-3,26-4)20-16-12-8-6-10-14-18-21/h5-20H2,1-4H3"	COC1(CCCCCCCCC(CCCCCCCC1)(OC)OC)OC	ANUXZHKUXMFHJH-UHFFFAOYSA-N
DG55458	"14-Ethynyl-1,4-dioxaspiro[4.17]docosan-14-ol"	380901	"NSC666683; 14-Ethynyl-1,4-dioxaspiro[4.17]docosan-14-ol; CHEMBL1984159; ZINC5500212; NSC-666683; NCI60_023256"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666683	.	.	.	.	350.5	C22H38O3	38.7	381	5.9	25	1	3	1	"InChI=1S/C22H38O3/c1-2-21(23)15-11-7-3-5-9-13-17-22(24-19-20-25-22)18-14-10-6-4-8-12-16-21/h1,23H,3-20H2"	C#CC1(CCCCCCCCC2(CCCCCCCC1)OCCO2)O	ILKJXTMDFHGUBU-UHFFFAOYSA-N
DG55459	"1,4,15,18-Tetraoxadispiro[4.8.4^{14}.8^{5}]hexacosane"	380902	"NSC666684; 1,4,15,18-Tetraoxadispiro[4.8.4.8]hexacosane; CHEMBL2000483; 1,4,15,18-tetraoxadispiro[4.8.4^{14}.8^{5}]hexacosane; NSC-666684; NCI60_023257"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666684	.	.	.	.	368.5	C22H40O4	36.9	312	6.1	26	0	4	0	InChI=1S/C22H40O4/c1-2-6-10-14-22(25-19-20-26-22)16-12-8-4-3-7-11-15-21(13-9-5-1)23-17-18-24-21/h1-20H2	C1CCCCC2(CCCCCCCCC3(CCC1)OCCO3)OCCO2	KIWQXBZEHMEJLC-UHFFFAOYSA-N
DG55460	"3-[1,4,4-Tris(2-carboxyethyl)-2,3-dioxocyclododecyl]propanoic acid"	380907	"Plantaricin BN; NSC666690; 1,1,4,4-Cyclododecanetetrapropanoic acid, 2,3-dioxo-; CHEMBL1982431; CHEBI:169141; ZINC5955682; 3-[1,4,4-tris(2-carboxyethyl)-2,3-dioxocyclododecyl]propanoic acid; NSC-666690; NCI60_023262; 2,3-Dioxo-1,1,4,4-Cyclododecanetetrapropanoic acid; 3-[1,4,4-tris(2-carboxyethyl)-2,3-dioxo-cyclododecyl]propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666690	.	.	.	.	484.5	C24H36O10	183	670	2.3	34	4	10	12	"InChI=1S/C24H36O10/c25-17(26)7-13-23(14-8-18(27)28)11-5-3-1-2-4-6-12-24(15-9-19(29)30,16-10-20(31)32)22(34)21(23)33/h1-16H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)"	C1CCCCC(C(=O)C(=O)C(CCC1)(CCC(=O)O)CCC(=O)O)(CCC(=O)O)CCC(=O)O	ZPAOCLAKRURAOZ-UHFFFAOYSA-N
DG55461	"1,1,4,4-Cyclododecanetetrapropanenitrile, 2,3-dioxo-"	380908	"NSC666691; 1,1,4,4-Cyclododecanetetrapropanenitrile, 2,3-dioxo-; CHEMBL1991315; NSC-666691; NCI60_023263; 3-[1,4,4-tris(2-cyanoethyl)-2,3-dioxo-cyclododecyl]propanenitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666691	.	.	.	.	408.5	C24H32N4O2	129	684	3.1	30	0	6	8	"InChI=1S/C24H32N4O2/c25-17-7-13-23(14-8-18-26)11-5-3-1-2-4-6-12-24(15-9-19-27,16-10-20-28)22(30)21(23)29/h1-16H2"	C1CCCCC(C(=O)C(=O)C(CCC1)(CCC#N)CCC#N)(CCC#N)CCC#N	CEAARCYFWJJGGE-UHFFFAOYSA-N
DG55462	"3,3,12,12-Tetrakis(3-hydroxypropyl)-1,2-cyclododecanedione"	380909	"NSC666692; 3,3,12,12-Tetrakis(3-hydroxypropyl)-1,2-cyclododecanedione; CHEMBL2000826; 3,3,12,12-tetrakis(3-hydroxypropyl)cyclododecane-1,2-dione; ZINC5566822; NSC-666692; NCI60_023264"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666692	.	.	.	.	428.6	C24H44O6	115	430	3	30	4	6	12	"InChI=1S/C24H44O6/c25-17-7-13-23(14-8-18-26)11-5-3-1-2-4-6-12-24(15-9-19-27,16-10-20-28)22(30)21(23)29/h25-28H,1-20H2"	C1CCCCC(C(=O)C(=O)C(CCC1)(CCCO)CCCO)(CCCO)CCCO	XMCUDPYSSHXCGU-UHFFFAOYSA-N
DG55463	"1,1,4,4-Cyclododecanetetrabutanoic acid, 2,3-dioxo-, tetramethyl ester"	380910	"NSC666693; CHEMBL1987807; 1,1,4,4-Cyclododecanetetrabutanoic acid, 2,3-dioxo-, tetramethyl ester; NSC-666693; NCI60_023265; methyl 4-[1,4,4-tris(4-methoxy-4-oxo-butyl)-2,3-dioxo-cyclododecyl]butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666693	.	.	.	.	596.7	C32H52O10	139	778	5.1	42	0	10	20	"InChI=1S/C32H52O10/c1-39-25(33)15-11-21-31(22-12-16-26(34)40-2)19-9-7-5-6-8-10-20-32(30(38)29(31)37,23-13-17-27(35)41-3)24-14-18-28(36)42-4/h5-24H2,1-4H3"	COC(=O)CCCC1(CCCCCCCCC(C(=O)C1=O)(CCCC(=O)OC)CCCC(=O)OC)CCCC(=O)OC	KCUJCGXWBSMQRQ-UHFFFAOYSA-N
DG55464	"1,1,4,4-Cyclododecanetetrapropanenitrile, 2,3-dihydroxy-"	380911	"NSC666694; 1,1,4,4-Cyclododecanetetrapropanenitrile, 2,3-dihydroxy-; CHEMBL1989207; NSC-666694; NCI60_023266; 3-[1,4,4-tris(2-cyanoethyl)-2,3-dihydroxy-cyclododecyl]propanenitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666694	.	.	.	.	412.6	C24H36N4O2	136	609	3.1	30	2	6	8	"InChI=1S/C24H36N4O2/c25-17-7-13-23(14-8-18-26)11-5-3-1-2-4-6-12-24(15-9-19-27,16-10-20-28)22(30)21(23)29/h21-22,29-30H,1-16H2"	C1CCCCC(C(C(C(CCC1)(CCC#N)CCC#N)O)O)(CCC#N)CCC#N	OQQHXXWYMQPCJH-UHFFFAOYSA-N
DG55465	"1,1,4,4-Cyclodecanetetrapropanenitrile, 2,3-dioxo-"	380914	"NSC666697; 1,1,4,4-Cyclodecanetetrapropanenitrile, 2,3-dioxo-; CHEMBL1964368; ZINC5566803; NSC-666697; NCI60_023269; 3-[1,4,4-tris(2-cyanoethyl)-2,3-dioxo-cyclodecyl]propanenitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666697	.	.	.	.	380.5	C22H28N4O2	129	655	2	28	0	6	8	"InChI=1S/C22H28N4O2/c23-15-5-11-21(12-6-16-24)9-3-1-2-4-10-22(13-7-17-25,14-8-18-26)20(28)19(21)27/h1-14H2"	C1CCCC(C(=O)C(=O)C(CC1)(CCC#N)CCC#N)(CCC#N)CCC#N	SMBRNMXWHMIBML-UHFFFAOYSA-N
DG55466	"1,1,4,4-Cyclodecanetetrapropanoic acid, 2,3-dioxo-, tetramethyl ester"	380915	"NSC666698; 1,1,4,4-Cyclodecanetetrapropanoic acid, 2,3-dioxo-, tetramethyl ester; CHEMBL1976082; NSC-666698; NCI60_023270; methyl 3-[1,4,4-tris(3-methoxy-3-oxo-propyl)-2,3-dioxo-cyclodecyl]propanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666698	.	.	.	.	512.6	C26H40O10	139	695	2.6	36	0	10	16	"InChI=1S/C26H40O10/c1-33-19(27)9-15-25(16-10-20(28)34-2)13-7-5-6-8-14-26(24(32)23(25)31,17-11-21(29)35-3)18-12-22(30)36-4/h5-18H2,1-4H3"	COC(=O)CCC1(CCCCCCC(C(=O)C1=O)(CCC(=O)OC)CCC(=O)OC)CCC(=O)OC	GAYHADIMVMIULI-UHFFFAOYSA-N
DG55467	"1-[5-(hydroxymethyl)-4-methoxytetrahydrofuran-2-yl]pyrimidine-2,3H)-dione"	380916	"NSC666700; CHEMBL1995860; SCHEMBL23343339; NSC-666700; NCI60_023272; 1-[5-(hydroxymethyl)-4-methoxytetrahydrofuran-2-yl]pyrimidine-2,3H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666700	.	.	.	.	242.23	C10H14N2O5	88.1	357	-1	17	2	5	3	"InChI=1S/C10H14N2O5/c1-16-6-4-9(17-7(6)5-13)12-3-2-8(14)11-10(12)15/h2-3,6-7,9,13H,4-5H2,1H3,(H,11,14,15)"	COC1CC(OC1CO)N2C=CC(=O)NC2=O	MJLFWMACMGAXSW-UHFFFAOYSA-N
DG55468	"4-chloro-N-[5-(4-chloroanilino)-1H-1,2,4-triazol-3-yl]-5-methyl-2-sulfanylbenzenesulfonamide"	380929	"NSC666715; UNII-FR4BZ4JY38; FR4BZ4JY38; 170747-33-8; NSC-666715; 4-chloro-N-[5-(4-chloroanilino)-1H-1,2,4-triazol-3-yl]-5-methyl-2-sulfanylbenzenesulfonamide; 4-Chloro-N-{3-[(4-chlorophenyl)amino]-1H-1,2,4-triazol-5-yl}-2-mercapto-5-methylbenzenesulfonamide; 4-Chloro-N-(3-((4-chlorophenyl)amino)-1H-1,2,4-triazol-5-yl)-2-mercapto-5-methylbenzenesulfonamide; CHEMBL1977402; methyl-2-sulfanylbenzenesulfonamide; EX-A5228; ZINC1642331; NCI60_023282; 4-Chloro-N-[5-(4-chloroanilino)-1H-1,2,4-triazol-3-yl]-5-; 4-chloro-N-[3-(4-chloroanilino)-1H-1,2,4-triazol-5-yl]-5-methyl-2-sulfanyl-benzenesulfonamide; Benzenesulfonamide, 4-chloro-N-(3-((4-chlorophenyl)amino)-1H-1,2,4-triazol-5-yl)-2-mercapto-5-methyl-; Benzenesulfonamide, 4-chloro-N-(5-((4-chlorophenyl)amino)-1H-1,2,4-triazol-3-yl)-2-mercapto-5-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666715	.	.	.	.	430.3	C15H13Cl2N5O2S2	109	571	4.5	26	4	7	5	"InChI=1S/C15H13Cl2N5O2S2/c1-8-6-13(12(25)7-11(8)17)26(23,24)22-15-19-14(20-21-15)18-10-4-2-9(16)3-5-10/h2-7,25H,1H3,(H3,18,19,20,21,22)"	CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)NC3=CC=C(C=C3)Cl	GRYIAOMDOBRKIU-UHFFFAOYSA-N
DG55469	"4,4-Diiodo-3-phenyl-3-buten-2-one"	380945	"4,4-diiodo-3-phenyl-3-buten-2-one; NSC666731; CHEMBL1976670; ZINC5601829; NSC-666731; 4,4-diiodo-3-phenyl-but-3-en-2-one; NCI60_023298"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666731	.	.	.	.	397.98	C10H8I2O	17.1	223	3.6	13	0	1	2	"InChI=1S/C10H8I2O/c1-7(13)9(10(11)12)8-5-3-2-4-6-8/h2-6H,1H3"	CC(=O)C(=C(I)I)C1=CC=CC=C1	YAUITSQVLXYQDV-UHFFFAOYSA-N
DG55470	methanesulfonic acid; 1-nitro-N-[3-(4-oxidomorpholin-4-ium-4-yl)propyl]acridin-9-amine	380950	"NSC666735; CHEMBL1986976; NSC-666735; methanesulfonic acid; 1-nitro-N-[3-(4-oxidomorpholin-4-ium-4-yl)propyl]acridin-9-amine; 4-(3-((1-(Hydroxy(oxido)amino)-9-acridinyl)amino)propyl)-1,4lambda~5~-oxazinan-4-ol methanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666735	.	.	.	.	478.5	C21H26N4O7S	161	629	.	33	2	9	5	"InChI=1S/C20H22N4O4.CH4O3S/c25-23(26)18-8-3-7-17-19(18)20(15-5-1-2-6-16(15)22-17)21-9-4-10-24(27)11-13-28-14-12-24;1-5(2,3)4/h1-3,5-8H,4,9-14H2,(H,21,22);1H3,(H,2,3,4)"	CS(=O)(=O)O.C1COCC[N+]1(CCCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-])[O-]	IRKSSGDJSSMPGG-UHFFFAOYSA-N
DG55471	"(5-Nitro-1,3-thiazol-2-yl)N,N-diethanolamine"	380955	"NSC666738; (5-Nitro-1,3-thiazol-2-yl)N,N-diethanolamine; CHEMBL1992879; ADAL1163628; NSC-666738; NCI60_023303; 2-[2-hydroxyethyl-(5-nitrothiazol-2-yl)amino]ethanol; 2-[(2-hydroxyethyl)(5-nitro-1,3-thiazol-2-yl)amino]ethan-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666738	.	.	.	.	233.25	C7H11N3O4S	131	207	0.3	15	2	7	5	"InChI=1S/C7H11N3O4S/c11-3-1-9(2-4-12)7-8-5-6(15-7)10(13)14/h5,11-12H,1-4H2"	C1=C(SC(=N1)N(CCO)CCO)[N+](=O)[O-]	YWXVDTSGAZBQDY-UHFFFAOYSA-N
DG55472	"Pyrido[2,4-diamine, 6-[[(4-methoxy-phenyl)amino]methyl]-5-methyl-, 3/5 methanol"	380968	"NSC666783; CHEMBL1965053; NSC-666783; Pyrido[2,4-diamine, 6-[[(4-methoxy- phenyl)amino]methyl]-5-methyl-, 3/5 methanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666783	.	.	.	.	342.4	C17H22N6O2	132	378	.	25	4	8	4	"InChI=1S/C16H18N6O.CH4O/c1-9-10(7-19-11-3-5-12(23-2)6-4-11)8-20-15-13(9)14(17)21-16(18)22-15;1-2/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22);2H,1H3"	CC1=C2C(=NC(=NC2=NC=C1CNC3=CC=C(C=C3)OC)N)N.CO	OUZPNTYSZYNISU-UHFFFAOYSA-N
DG55473	"Pyrido[2,4-diamine, 6-[[(2,3,4-trichlorophenyl)amino]methyl]-5-methyl-, 1/4 acetate"	380970	"CHEMBL1966667; NSC-666787; Pyrido[2,4-diamine, 6-[[(2,3,4- trichlorophenyl)amino]methyl]-5-methyl-, 1/4 acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85701	.	.	.	.	443.7	C17H17Cl3N6O2	140	461	.	28	4	8	3	"InChI=1S/C15H13Cl3N6.C2H4O2/c1-6-7(4-21-9-3-2-8(16)11(17)12(9)18)5-22-14-10(6)13(19)23-15(20)24-14;1-2(3)4/h2-3,5,21H,4H2,1H3,(H4,19,20,22,23,24);1H3,(H,3,4)"	CC1=C2C(=NC(=NC2=NC=C1CNC3=C(C(=C(C=C3)Cl)Cl)Cl)N)N.CC(=O)O	ZJXQEVDAMMVQNX-UHFFFAOYSA-N
DG55474	"[4-Fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] butanoate"	380992	NSC666869; CHEMBL1977107; NSC-666869; NCI60_023335	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666869	.	.	.	.	334.27	C13H16F2N2O6	105	541	-0.3	23	2	8	6	"InChI=1S/C13H16F2N2O6/c1-2-3-8(19)23-10-7(5-18)22-12(9(10)15)17-4-6(14)11(20)16-13(17)21/h4,7,9-10,12,18H,2-3,5H2,1H3,(H,16,20,21)"	CCCC(=O)OC1C(OC(C1F)N2C=C(C(=O)NC2=O)F)CO	QMRFHWKESJIABD-UHFFFAOYSA-N
DG55475	"[4-Fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl butanoate"	380993	NSC666870; CHEMBL1993921; NSC-666870; NCI60_023336	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666870	.	.	.	.	334.27	C13H16F2N2O6	105	541	-0.3	23	2	8	6	"InChI=1S/C13H16F2N2O6/c1-2-3-8(18)22-5-7-10(19)9(15)12(23-7)17-4-6(14)11(20)16-13(17)21/h4,7,9-10,12,19H,2-3,5H2,1H3,(H,16,20,21)"	CCCC(=O)OCC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)F)O	DBWPUCRQGKRNEA-UHFFFAOYSA-N
DG55476	"[3-Butanoyloxy-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butanoate"	380994	NSC666871; CHEMBL1981485; NSC-666871; NCI60_023337	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666871	.	.	.	.	404.4	C17H22F2N2O7	111	670	1.3	28	1	9	10	"InChI=1S/C17H22F2N2O7/c1-3-5-11(22)26-8-10-14(28-12(23)6-4-2)13(19)16(27-10)21-7-9(18)15(24)20-17(21)25/h7,10,13-14,16H,3-6,8H2,1-2H3,(H,20,24,25)"	CCCC(=O)OCC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)F)OC(=O)CCC	YIUKEUOPPDSJFT-UHFFFAOYSA-N
DG55477	"7-Chloro-4-methyl-5-[[1,1-bis(hydroxymethyl)ethyl]amino]pyrimido[4,5-b]quinolin-2-ol"	381003	"NSC666980; CHEMBL2001551; NSC-666980; NCI60_023344; 7-Chloro-4-methyl-5-[[1,1-bis(hydroxymethyl)ethyl]amino]pyrimido[4,5-b]quinolin-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666980	.	.	.	.	348.78	C16H17ClN4O3	106	798	0	24	4	4	4	"InChI=1S/C16H17ClN4O3/c1-8-12-13(21-16(2,6-22)7-23)10-5-9(17)3-4-11(10)19-14(12)20-15(24)18-8/h3-5,22-23H,6-7H2,1-2H3,(H2,18,19,20,21,24)"	CC1=C2C(=C3C=C(C=CC3=NC2=NC(=O)N1)Cl)NC(C)(CO)CO	ICDIHYFFLIAXRI-UHFFFAOYSA-N
DG55478	"4-Bromo-3,5-di-tert-butyl-2-phenyl-2,5-dihydro-1,2-oxaphosphol-5-ol 2-oxide"	381004	"NSC666981; 4-Bromo-3,5-di-tert-butyl-2-phenyl-2,5-dihydro-1,2-oxaphosphol-5-ol 2-oxide; CHEMBL1988837; NSC-666981; NCI60_023345; 4-bromo-3,5-ditert-butyl-2-oxo-2-phenyl-1,2$l^{5}-oxaphosphol-5-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666981	.	.	.	.	387.2	C17H24BrO3P	46.5	521	4.1	22	1	3	3	"InChI=1S/C17H24BrO3P/c1-15(2,3)14-13(18)17(19,16(4,5)6)21-22(14,20)12-10-8-7-9-11-12/h7-11,19H,1-6H3"	CC(C)(C)C1=C(C(OP1(=O)C2=CC=CC=C2)(C(C)(C)C)O)Br	QIVZYIBBFINPGI-UHFFFAOYSA-N
DG55479	NSC666991	381006	"2-[[5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl]-1-cyano-3-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]guanidine; NSC666991; CHEMBL2003101; NSC-666991; NCI60_023347"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666991	.	.	.	.	541.5	C22H27N11O6	238	1060	-2	39	6	12	8	"InChI=1S/C22H27N11O6/c1-10-5-32(22(37)31-20(10)36)15-2-11(14(6-34)39-15)30-21(26-7-23)25-4-13-12(35)3-16(38-13)33-9-29-17-18(24)27-8-28-19(17)33/h5,8-9,11-16,34-35H,2-4,6H2,1H3,(H2,24,27,28)(H2,25,26,30)(H,31,36,37)"	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)NC(=NCC3C(CC(O3)N4C=NC5=C(N=CN=C54)N)O)NC#N	KXROBYBHRIGHBR-UHFFFAOYSA-N
DG55480	3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-1-methyl-1H-indole	381016	NSC666999; 3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-1-methyl-1H-indole; CHEMBL2005912; ZINC1642407; NSC-666999; NCI60_023355; 1-(4-chlorophenyl)-3-(1-methylindol-3-yl)sulfonyl-urea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666999	.	.	.	.	363.8	C16H14ClN3O3S	88.6	557	3.3	24	2	3	3	"InChI=1S/C16H14ClN3O3S/c1-20-10-15(13-4-2-3-5-14(13)20)24(22,23)19-16(21)18-12-8-6-11(17)7-9-12/h2-10H,1H3,(H2,18,19,21)"	CN1C=C(C2=CC=CC=C21)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl	QRSQPLAOVPDPAZ-UHFFFAOYSA-N
DG55481	8-Amino-4-aza-6-octynylaziridine	381022	"NSC667006; 8-amino-4-aza-6-octynylaziridine; N'-[3-(aziridin-1-yl)propyl]but-2-yne-1,4-diamine; CHEMBL2003551; NSC-667006; NCI60_023361; N~1~-(3-(1-Aziridinyl)propyl)-2-butyne-1,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667006	.	.	.	.	167.25	C9H17N3	41.1	173	-0.9	12	2	3	5	"InChI=1S/C9H17N3/c10-4-1-2-5-11-6-3-7-12-8-9-12/h11H,3-10H2"	C1CN1CCCNCC#CCN	NPBPFNWIKSGHFB-UHFFFAOYSA-N
DG55482	2-Ethenyl estradiol	381026	CHEMBL1628145; 2-ethenyl estradiol; MLS002702178; NSC667049; 2-Vinyl-17beta-estradiol; ZINC5955853; BDBM50369001; NSC-667049; NCI60_023365	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667049	.	.	.	.	298.4	C20H26O2	40.5	447	4.8	22	2	2	1	"InChI=1S/C20H26O2/c1-3-12-10-16-13(11-18(12)21)4-5-15-14(16)8-9-20(2)17(15)6-7-19(20)22/h3,10-11,14-15,17,19,21-22H,1,4-9H2,2H3/t14-,15+,17-,19-,20-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)C=C)O	BFKMKTXWLSOMEF-SSGANFLRSA-N
DG55483	"4-Chloro-N-((4,6-dimethyl-2-quinolinyl)methylene)aniline"	381036	"NSC667057; CHEMBL1984103; NSC-667057; NCI60_023368; 4-Chloro-N-((4,6-dimethyl-2-quinolinyl)methylene)aniline; N-(4-chlorophenyl)-1-(4,6-dimethyl-2-quinolyl)methanimine; N-(4-Chlorophenyl)-N-((4,6-dimethyl-2-quinolinyl)methylene)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667057	.	.	.	.	294.8	C18H15ClN2	25.2	362	5.2	21	0	2	2	"InChI=1S/C18H15ClN2/c1-12-3-8-18-17(9-12)13(2)10-16(21-18)11-20-15-6-4-14(19)5-7-15/h3-11H,1-2H3"	CC1=CC2=C(C=C1)N=C(C=C2C)C=NC3=CC=C(C=C3)Cl	BZLYNWGDDQRWPR-UHFFFAOYSA-N
DG55484	"2-Chloro-N-((4,6-dimethyl-2-quinolinyl)methylene)aniline"	381037	"NSC667058; CHEMBL1966201; 2-Chloro-N-((4,6-dimethyl-2-quinolinyl)methylene)aniline; NSC-667058; NCI60_023369; 2-[(2-Chlorophenyl)iminomethyl]-4,6-dimethylquinoline; N-(2-chlorophenyl)-1-(4,6-dimethyl-2-quinolyl)methanimine; N-(2-Chlorophenyl)-N-((4,6-dimethyl-2-quinolinyl)methylene)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667058	.	.	.	.	294.8	C18H15ClN2	25.2	370	5.2	21	0	2	2	"InChI=1S/C18H15ClN2/c1-12-7-8-17-15(9-12)13(2)10-14(21-17)11-20-18-6-4-3-5-16(18)19/h3-11H,1-2H3"	CC1=CC2=C(C=C1)N=C(C=C2C)C=NC3=CC=CC=C3Cl	DSOWDBQHGYLTHY-UHFFFAOYSA-N
DG55485	"2-Methoxy-4,4-dimethyl-2-pentadecylmorpholin-4-ium;iodide"	381050	CHEMBL1983930; NSC667070; NSC-667070	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667070	.	.	.	.	483.5	C22H46INO2	18.5	319	.	26	0	3	15	"InChI=1S/C22H46NO2.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24-4)21-23(2,3)19-20-25-22;/h5-21H2,1-4H3;1H/q+1;/p-1"	CCCCCCCCCCCCCCCC1(C[N+](CCO1)(C)C)OC.[I-]	FWWPGODCCDPVGI-UHFFFAOYSA-M
DG55486	NSC667071	381052	"3H-3a,6-Methano-2,1-benzisothiazole, 1-[[(2R,3S,3aR)-hexahydro-2-methylpyrrolo[1,2-b]isoxazol-3-yl]carbonyl]hexahydro-8,8-dimethyl-, 2,2-dioxide; NSC667071; CHEMBL1982336; NSC-667071; 3H-3a,6-Methano-2,1-benzisothiazole, 1-[[(2R,3S,3aR)-hexahydro-2-methylpyrrolo[1,2-b]isoxazol-3-yl]carbonyl]hexahydro-8,8-dimethyl-, 2,2-dioxide; NCI60_023378; [(2R,3S,3aR)-2-methyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazol-3-yl]-[dimethyl(dioxo)[ ]yl]methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667071	.	.	.	.	368.5	C18H28N2O4S	75.3	730	2.3	25	0	5	1	"InChI=1S/C18H28N2O4S/c1-11-15(13-5-4-8-19(13)24-11)16(21)20-14-9-12-6-7-18(14,17(12,2)3)10-25(20,22)23/h11-15H,4-10H2,1-3H3/t11-,12 ,13-,14 ,15-,18 /m1/s1"	C[C@@H]1[C@H]([C@H]2CCCN2O1)C(=O)N3C4CC5CCC4(C5(C)C)CS3(=O)=O	FDPRDAHOVZKQDN-WWKNAXRHSA-N
DG55487	"2-(Methylthio)-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine"	381057	"NSC667076; 2-(Methylthio)-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine; CHEMBL1982084; 2-methylsulfanyl-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine; NSC-667076; NCI60_023383; 2-(Methylthio)-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667076	.	.	.	.	322.4	C18H18N4S	90	401	4.2	23	1	5	2	"InChI=1S/C18H18N4S/c1-23-18-21-16(19)15-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)20-17(15)22-18/h2-4,7-8H,5-6,9-10H2,1H3,(H2,19,20,21,22)"	CSC1=NC2=NC3=C(CCCC3)C(=C2C(=N1)N)C4=CC=CC=C4	BOQFJPDDMQUCQW-UHFFFAOYSA-N
DG55488	"5-Phenyl-2-((2-phenylethyl)thio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine"	381059	"NSC667078; 5-Phenyl-2-((2-phenylethyl)thio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine; CHEMBL1976182; NSC-667078; 2-phenethylsulfanyl-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine; NCI60_023385; 5-Phenyl-2-((2-phenylethyl)thio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667078	.	.	.	.	412.6	C25H24N4S	90	533	6.1	30	1	5	5	"InChI=1S/C25H24N4S/c26-23-22-21(18-11-5-2-6-12-18)19-13-7-8-14-20(19)27-24(22)29-25(28-23)30-16-15-17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-16H2,(H2,26,27,28,29)"	C1CCC2=C(C1)C(=C3C(=NC(=NC3=N2)SCCC4=CC=CC=C4)N)C5=CC=CC=C5	ZUIVWQMKWJPJCN-UHFFFAOYSA-N
DG55489	"2-((4-Amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)-1-phenylethanone"	381060	"NSC667079; 2-((4-Amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)-1-phenylethanone; CHEMBL2003039; NSC-667079; NCI60_023386; 2-[(4-amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-1-phenyl-ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667079	.	.	.	.	426.5	C25H22N4OS	107	606	5.6	31	1	6	5	"InChI=1S/C25H22N4OS/c26-23-22-21(17-11-5-2-6-12-17)18-13-7-8-14-19(18)27-24(22)29-25(28-23)31-15-20(30)16-9-3-1-4-10-16/h1-6,9-12H,7-8,13-15H2,(H2,26,27,28,29)"	C1CCC2=C(C1)C(=C3C(=NC(=NC3=N2)SCC(=O)C4=CC=CC=C4)N)C5=CC=CC=C5	JGTDUIXKILVFMV-UHFFFAOYSA-N
DG55490	"2-(Ethylthio)-5-phenyl-7,8-dihydro-6H-cyclopenta[5,6]pyrido[2,3-d]pyrimidin-4-amine"	381061	"NSC667080; 2-(Ethylthio)-5-phenyl-7,8-dihydro-6H-cyclopenta[5,6]pyrido[2,3-d]pyrimidin-4-amine; CHEMBL1996687; NSC-667080; NCI60_023387; 2-(Ethylthio)-5-phenyl-7,8-dihydro-6H-cyclopenta[5,6]pyrido[2,3-d]pyrimidin-4-ylamine; 2-ethylsulfanyl-5-phenyl-7,8-dihydro-6H-cyclopenta[[ ]:[ ]]pyrido[[ ]]pyrimidin-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667080	.	.	.	.	322.4	C18H18N4S	90	401	4	23	1	5	3	"InChI=1S/C18H18N4S/c1-2-23-18-21-16(19)15-14(11-7-4-3-5-8-11)12-9-6-10-13(12)20-17(15)22-18/h3-5,7-8H,2,6,9-10H2,1H3,(H2,19,20,21,22)"	CCSC1=NC2=NC3=C(CCC3)C(=C2C(=N1)N)C4=CC=CC=C4	RRSDWSJQYCLXIM-UHFFFAOYSA-N
DG55491	"Ethyl ((4-amino-5-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate"	381063	"NSC667082; CHEMBL1990264; NSC-667082; Ethyl ((4-amino-5-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate; ethyl 2-[[4-amino-5-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl]acetate; NCI60_023389"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667082	.	.	.	.	454.5	C23H26N4O4S	135	629	4.4	32	1	9	8	"InChI=1S/C23H26N4O4S/c1-4-31-18(28)12-32-23-26-21(24)20-19(13-9-10-16(29-2)17(11-13)30-3)14-7-5-6-8-15(14)25-22(20)27-23/h9-11H,4-8,12H2,1-3H3,(H2,24,25,26,27)"	CCOC(=O)CSC1=NC2=NC3=C(CCCC3)C(=C2C(=N1)N)C4=CC(=C(C=C4)OC)OC	FPCZUUZUABOCCJ-UHFFFAOYSA-N
DG55492	"5-(3,4-Dimethoxyphenyl)-7-methyl-2,4-bis(methylthio)-6-phenylpyrido[2,3-d]pyrimidine"	381069	"NSC667088; 5-(3,4-Dimethoxyphenyl)-7-methyl-2,4-bis(methylthio)-6-phenylpyrido[2,3-d]pyrimidine; CHEMBL1999892; NSC-667088; NCI60_023395; 5-(3,4-dimethoxyphenyl)-7-methyl-2,4-bis(methylsulfanyl)-6-phenyl-pyrido[2,3-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667088	.	.	.	.	449.6	C24H23N3O2S2	108	565	6.1	31	0	7	6	"InChI=1S/C24H23N3O2S2/c1-14-19(15-9-7-6-8-10-15)20(16-11-12-17(28-2)18(13-16)29-3)21-22(25-14)26-24(31-5)27-23(21)30-4/h6-13H,1-5H3"	CC1=C(C(=C2C(=N1)N=C(N=C2SC)SC)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4	IBLDQCKNONNNDL-UHFFFAOYSA-N
DG55493	8-methoxy-2-(4-methoxyphenyl)-3-nitro-2H-chromene	381073	NSC667223; 8-methoxy-2-(4-methoxyphenyl)-3-nitro-2H-chromene; CHEMBL1968403; SCHEMBL16602961; DTXSID90327576; NSC-667223; 57544-05-5; NCI60_023397; 2-(4-Methoxyphenyl)-3-nitro-8-methoxy-3-chromene; Hydroxy(8-methoxy-2-(4-methoxyphenyl)-2H-chromen-3-yl)azane oxide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667223	.	.	.	.	313.3	C17H15NO5	73.5	452	3.4	23	0	5	3	"InChI=1S/C17H15NO5/c1-21-13-8-6-11(7-9-13)16-14(18(19)20)10-12-4-3-5-15(22-2)17(12)23-16/h3-10,16H,1-2H3"	COC1=CC=C(C=C1)C2C(=CC3=C(O2)C(=CC=C3)OC)[N+](=O)[O-]	JRKDJDBATCWDAD-UHFFFAOYSA-N
DG55494	4-(6-chloro-3-nitro-2H-chromen-2-yl)benzonitrile	381074	NSC667225; 4-(6-chloro-3-nitro-2H-chromen-2-yl)benzonitrile; Oprea1_506262; CHEMBL2004833; NSC-667225; NCI60_023399; 4-(6-Chloro-3-(hydroxy(oxido)amino)-2H-chromen-2-yl)benzonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667225	.	.	.	.	312.7	C16H9ClN2O3	78.8	513	3.8	22	0	4	1	"InChI=1S/C16H9ClN2O3/c17-13-5-6-15-12(7-13)8-14(19(20)21)16(22-15)11-3-1-10(9-18)2-4-11/h1-8,16H"	C1=CC(=CC=C1C#N)C2C(=CC3=C(O2)C=CC(=C3)Cl)[N+](=O)[O-]	AJXMNMUPAFAGSL-UHFFFAOYSA-N
DG55495	4-(8-methoxy-3-nitro-2H-chromen-2-yl)benzonitrile	381075	NSC667226; 4-(8-methoxy-3-nitro-2H-chromen-2-yl)benzonitrile; CHEMBL1966675; NSC-667226; NCI60_023400; 4-(3-(Hydroxy(oxido)amino)-8-methoxy-2H-chromen-2-yl)benzonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667226	.	.	.	.	308.29	C17H12N2O4	88.1	524	3.2	23	0	5	2	"InChI=1S/C17H12N2O4/c1-22-15-4-2-3-13-9-14(19(20)21)16(23-17(13)15)12-7-5-11(10-18)6-8-12/h2-9,16H,1H3"	COC1=CC=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC=C(C=C3)C#N	XVVGBUXDPDFKTQ-UHFFFAOYSA-N
DG55496	Ethyl 7-(dimethylamino)-2H-chromene-4-carboxylate	381079	NSC667230; Ethyl 7-(dimethylamino)-2H-chromene-4-carboxylate; CHEMBL2000446; NSC-667230; NCI60_023404	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667230	.	.	.	.	247.29	C14H17NO3	38.8	338	2.3	18	0	4	4	"InChI=1S/C14H17NO3/c1-4-17-14(16)12-7-8-18-13-9-10(15(2)3)5-6-11(12)13/h5-7,9H,4,8H2,1-3H3"	CCOC(=O)C1=CCOC2=C1C=CC(=C2)N(C)C	ARGHQPUSDLVPAL-UHFFFAOYSA-N
DG55497	"Ethyl (3-(4-aminophenyl)-7-hydroxy-2-oxo-3,4-dihydro-2H-chromen-4-yl)acetate"	381080	"NSC667231; CHEMBL2002277; NSC-667231; Ethyl (3-(4-aminophenyl)-7-hydroxy-2-oxo-3,4-dihydro-2H-chromen-4-yl)acetate; NCI60_023405; ethyl 2-[3-(4-aminophenyl)-7-hydroxy-2-oxo-chroman-4-yl]acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667231	.	.	.	.	341.4	C19H19NO5	98.8	488	2.3	25	2	6	5	"InChI=1S/C19H19NO5/c1-2-24-17(22)10-15-14-8-7-13(21)9-16(14)25-19(23)18(15)11-3-5-12(20)6-4-11/h3-9,15,18,21H,2,10,20H2,1H3"	CCOC(=O)CC1C(C(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)N	AYRWMMUSPBHMTB-UHFFFAOYSA-N
DG55498	"1,4,5-Tetraaminobenzene tetrahydrochloride"	381091	"NSC667249; CHEMBL456559; SCHEMBL9297339; NSC118095; AKOS015889180; NSC-118095; NSC-667249; 1,4,5-Tetraaminobenzene tetrahydrochloride; 1,4,5-Benzenetetramine, tetrahydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118095	.	.	.	.	174.63	C6H11ClN4	104	90.3	.	11	5	4	0	"InChI=1S/C6H10N4.ClH/c7-3-1-4(8)6(10)2-5(3)9;/h1-2H,7-10H2;1H"	C1=C(C(=CC(=C1N)N)N)N.Cl	NZLYXIUDQUBQGU-UHFFFAOYSA-N
DG55499	{[5-(4-Nitrophenyl)furan-2-yl]methylidene}propanedioic acid	381101	NSC667264; CHEMBL1992380; ZINC337580; STK000877; AKOS000604280; MCULE-7624466866; NSC-667264; NCI60_023414; SR-01000358520; SR-01000358520-1; 2-[[5-(4-nitrophenyl)-2-furyl]methylene]propanedioic acid; {[5-(4-nitrophenyl)furan-2-yl]methylidene}propanedioic acid; 2-((5-(4-(Hydroxy(oxido)amino)phenyl)-2-furyl)methylene)malonic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667264	.	.	.	.	303.22	C14H9NO7	134	472	3.3	22	2	7	4	"InChI=1S/C14H9NO7/c16-13(17)11(14(18)19)7-10-5-6-12(22-10)8-1-3-9(4-2-8)15(20)21/h1-7H,(H,16,17)(H,18,19)"	C1=CC(=CC=C1C2=CC=C(O2)C=C(C(=O)O)C(=O)O)[N+](=O)[O-]	RRMUMFWOUFWXPU-UHFFFAOYSA-N
DG55500	2-(5-Nitro-2-furyl)prop-2-enamide	381106	NSC667269; 5-Nitro-2-furyl-acrylamid; SCHEMBL6414258; CHEMBL2003384; 2-(5-nitro-2-furyl)prop-2-enamide; NSC-667269; NCI60_023419; 2-(5-(Hydroxy(oxido)amino)-2-furyl)acrylamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667269	.	.	.	.	182.13	C7H6N2O4	102	258	0.6	13	1	4	2	"InChI=1S/C7H6N2O4/c1-4(7(8)10)5-2-3-6(13-5)9(11)12/h2-3H,1H2,(H2,8,10)"	C=C(C1=CC=C(O1)[N+](=O)[O-])C(=O)N	FHULNCMQMNBXDP-UHFFFAOYSA-N
DG55501	Perfragilin B	381111	"Perfragilin B; 146764-79-6; 2-methyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione; NSC667275; 2-Methyl-6,7-bis(methylthio)-3,5,8(2H)-isoquinolinetrione; CHEMBL2002050; DTXSID50932908; NSC-667275; NCI60_023421; 2-Methyl-5,8-dioxo-6,7-bis(methylthio)isoquinoline-3(2H)-one; 3,5,8(2H)-Isoquinolinetrione, 2-methyl-6,7-bis(methylthio)-; 2-Methyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8(2H)-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667275	.	.	.	.	281.4	C12H11NO3S2	105	558	0.8	18	0	5	2	"InChI=1S/C12H11NO3S2/c1-13-5-7-6(4-8(13)14)9(15)11(17-2)12(18-3)10(7)16/h4-5H,1-3H3"	CN1C=C2C(=CC1=O)C(=O)C(=C(C2=O)SC)SC	YCRBNFTXGDZHPI-UHFFFAOYSA-N
DG55502	"N-(7-Hydroxy[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide"	381117	"NSC667379; CHEMBL1975242; N-(7-Hydroxy[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide; NSC-667379; NCI60_023427; N-(7-hydroxythiazolo[5,4-d]pyrimidin-2-yl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667379	.	.	.	.	272.28	C12H8N4O2S	112	409	1.6	19	2	5	2	"InChI=1S/C12H8N4O2S/c17-9(7-4-2-1-3-5-7)16-12-15-8-10(18)13-6-14-11(8)19-12/h1-6H,(H,13,14,18)(H,15,16,17)"	C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)N=CNC3=O	CBEIXCAXMNUYQC-UHFFFAOYSA-N
DG55503	"1H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 9-(4-chlorophenyl)-7,9b-dihydro-2-methyl-7-(4-methylphenyl)-"	381123	"NSC667385; 1H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 9-(4-chlorophenyl)-7,9b-dihydro-2-methyl-7-(4-methylphenyl)-; CHEMBL2000113; NSC-667385; NCI60_023431; 9-(4-chlorophenyl)-2-methyl-7-(p-tolyl)-1,9b-dihydro-[1,2,4]triazolo[[ ]]pyrrolo[[ ]]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667385	.	.	.	.	375.9	C21H18ClN5	44.9	606	3.8	27	1	2	2	"InChI=1S/C21H18ClN5/c1-13-3-9-17(10-4-13)26-11-18(15-5-7-16(22)8-6-15)19-20(26)23-12-27-21(19)24-14(2)25-27/h3-12,21H,1-2H3,(H,24,25)"	CC1=CC=C(C=C1)N2C=C(C3=C2N=CN4C3N=C(N4)C)C5=CC=C(C=C5)Cl	CBZMMDNGDTVCAU-UHFFFAOYSA-N
DG55504	"1H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 9-(4-chlorophenyl)-7,9b-dihydro-7-(4-methylphenyl)-2-(2-thienyl)-"	381124	"NSC667386; NSC-667386; 1H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 9-(4-chlorophenyl)-7,9b-dihydro-7-(4-methylphenyl)-2-(2-thienyl)-; CHEMBL1288254; NCI60_023432; 9-(4-chlorophenyl)-7-(p-tolyl)-2-(2-thienyl)-1,9b-dihydro-[1,2,4]triazolo[[ ]]pyrrolo[[ ]]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667386	.	.	.	.	444	C24H18ClN5S	73.2	715	5.5	31	1	3	3	"InChI=1S/C24H18ClN5S/c1-15-4-10-18(11-5-15)29-13-19(16-6-8-17(25)9-7-16)21-23(29)26-14-30-24(21)27-22(28-30)20-3-2-12-31-20/h2-14,24H,1H3,(H,27,28)"	CC1=CC=C(C=C1)N2C=C(C3=C2N=CN4C3N=C(N4)C5=CC=CS5)C6=CC=C(C=C6)Cl	GNLUCKCNLMLWJS-UHFFFAOYSA-N
DG55505	"1H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 9-(4-chlorophenyl)-2-(2-furanyl)-7,9b-dihydro-7-(4-methylphenyl)-"	381125	"NSC667387; 1H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 9-(4-chlorophenyl)-2-(2-furanyl)-7,9b-dihydro-7-(4-methylphenyl)-; CHEMBL1970514; NSC-667387; NCI60_023433; 9-(4-chlorophenyl)-2-(2-furyl)-7-(p-tolyl)-1,9b-dihydro-[1,2,4]triazolo[[ ]]pyrrolo[[ ]]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667387	.	.	.	.	427.9	C24H18ClN5O	58.1	715	4.8	31	1	3	3	"InChI=1S/C24H18ClN5O/c1-15-4-10-18(11-5-15)29-13-19(16-6-8-17(25)9-7-16)21-23(29)26-14-30-24(21)27-22(28-30)20-3-2-12-31-20/h2-14,24H,1H3,(H,27,28)"	CC1=CC=C(C=C1)N2C=C(C3=C2N=CN4C3N=C(N4)C5=CC=CO5)C6=CC=C(C=C6)Cl	GYFMTXCXBKJHRE-UHFFFAOYSA-N
DG55506	NSC667439	381126	"N,N-didecyl-2-[[5,11,17,23-tetratert-butyl-26,27,28-tris[2-(didecylamino)-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetamide; NSC667439; CHEMBL1987144; NSC-667439; NCI60_023434; N,N-didecyl-2-[tetratert-butyl-tris[2-(didecylamino)-2-oxo-ethoxy][ ]yl]oxy-acetamide; N,N-Didecyl-2-((5,11,17,23-tetratert-butyl-26,27,28-tris(2-(didecylamino)-2-oxoethoxy)pentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen-25-yl)oxy)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667439	.	.	.	.	1999.2	C132H228N4O8	118	2550	48.4	144	0	8	88	"InChI=1S/C132H228N4O8/c1-21-29-37-45-53-61-69-77-85-133(86-78-70-62-54-46-38-30-22-2)121(137)105-141-125-109-93-111-99-118(130(12,13)14)101-113(126(111)142-106-122(138)134(87-79-71-63-55-47-39-31-23-3)88-80-72-64-56-48-40-32-24-4)95-115-103-120(132(18,19)20)104-116(128(115)144-108-124(140)136(91-83-75-67-59-51-43-35-27-7)92-84-76-68-60-52-44-36-28-8)96-114-102-119(131(15,16)17)100-112(94-110(125)98-117(97-109)129(9,10)11)127(114)143-107-123(139)135(89-81-73-65-57-49-41-33-25-5)90-82-74-66-58-50-42-34-26-6/h97-104H,21-96,105-108H2,1-20H3"	CCCCCCCCCCN(CCCCCCCCCC)C(=O)COC1=C2CC3=CC(=CC(=C3OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)CC4=C(C(=CC(=C4)C(C)(C)C)CC5=C(C(=CC(=C5)C(C)(C)C)CC1=CC(=C2)C(C)(C)C)OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)C(C)(C)C	SBLLZHHPLLIHBY-UHFFFAOYSA-N
DG55507	NSC667440	381127	"N,N-bis(2-methoxyethyl)-2-[[32,33,34,35-tetrakis[2-[bis(2-methoxyethyl)amino]-2-oxoethoxy]-5,11,17,23,29-pentatert-butyl-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaenyl]oxy]acetamide; NSC667440; CHEMBL1984388; NSC-667440; NCI60_023435; N,N-Bis(2-methoxyethyl)-2-((32,33,34,35-tetrakis(2-(bis(2-methoxyethyl)amino)-2-oxoethoxy)-5,11,17,23,29-pentatert-butylhexacyclo[25.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaen-31-yl)oxy)acetamide; N,N-bis(2-methoxyethyl)-2-[tetrakis[2-[bis(2-methoxyethyl)amino]-2-oxo-ethoxy]-pentatert-butyl-[ ]yl]oxy-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667440	.	.	.	.	1677.2	C95H145N5O20	240	2370	14	120	0	20	50	"InChI=1S/C95H145N5O20/c1-91(2,3)76-51-66-46-68-53-77(92(4,5)6)55-70(87(68)117-62-82(102)97(28-38-108-18)29-39-109-19)48-72-57-79(94(10,11)12)59-74(89(72)119-64-84(104)99(32-42-112-22)33-43-113-23)50-75-60-80(95(13,14)15)58-73(90(75)120-65-85(105)100(34-44-114-24)35-45-115-25)49-71-56-78(93(7,8)9)54-69(88(71)118-63-83(103)98(30-40-110-20)31-41-111-21)47-67(52-76)86(66)116-61-81(101)96(26-36-106-16)27-37-107-17/h51-60H,26-50,61-65H2,1-25H3"	CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OCC(=O)N(CCOC)CCOC)CC4=CC(=CC(=C4OCC(=O)N(CCOC)CCOC)CC5=C(C(=CC(=C5)C(C)(C)C)CC6=C(C(=CC(=C6)C(C)(C)C)C2)OCC(=O)N(CCOC)CCOC)OCC(=O)N(CCOC)CCOC)C(C)(C)C)C(C)(C)C)OCC(=O)N(CCOC)CCOC	LJQRACBHAOMZIE-UHFFFAOYSA-N
DG55508	2-phenyl-6-pyrrolidin-1-yl-1H-quinolin-4-one	381128	NSC667445; CHEMBL1993766; NSC-667445; NCI60_023436	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667445	.	.	.	.	290.4	C19H18N2O	32.299	446	3.8	22	1	3	2	"InChI=1S/C19H18N2O/c22-19-13-18(14-6-2-1-3-7-14)20-17-9-8-15(12-16(17)19)21-10-4-5-11-21/h1-3,6-9,12-13H,4-5,10-11H2,(H,20,22)"	C1CCN(C1)C2=CC3=C(C=C2)NC(=CC3=O)C4=CC=CC=C4	OJBHJVPYBHYBSC-UHFFFAOYSA-N
DG55509	2-(3-methoxyphenyl)-6-piperidin-1-yl-1H-quinolin-4-one	381129	NSC667446; CHEMBL2004274; NSC-667446; NCI60_023437	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667446	.	.	.	.	334.4	C21H22N2O2	41.6	512	4.1	25	1	4	3	"InChI=1S/C21H22N2O2/c1-25-17-7-5-6-15(12-17)20-14-21(24)18-13-16(8-9-19(18)22-20)23-10-3-2-4-11-23/h5-9,12-14H,2-4,10-11H2,1H3,(H,22,24)"	COC1=CC=CC(=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)N4CCCCC4	CRDNHGGEVYYBPA-UHFFFAOYSA-N
DG55510	2-phenyl-6-piperidin-1-yl-1H-quinolin-4-one	381130	NSC667447; CHEMBL1977865; NSC-667447; NCI60_023438	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667447	.	.	.	.	304.4	C20H20N2O	32.299	460	4.2	23	1	3	2	"InChI=1S/C20H20N2O/c23-20-14-19(15-7-3-1-4-8-15)21-18-10-9-16(13-17(18)20)22-11-5-2-6-12-22/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,21,23)"	C1CCN(CC1)C2=CC3=C(C=C2)NC(=CC3=O)C4=CC=CC=C4	PONMWSOZLIYVHK-UHFFFAOYSA-N
DG55511	6-morpholin-4-yl-2-phenyl-1H-quinolin-4-one	381131	NSC667448; CHEMBL1981874; NSC-667448; NCI60_023439	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667448	.	.	.	.	306.4	C19H18N2O2	41.6	464	2.9	23	1	4	2	"InChI=1S/C19H18N2O2/c22-19-13-18(14-4-2-1-3-5-14)20-17-7-6-15(12-16(17)19)21-8-10-23-11-9-21/h1-7,12-13H,8-11H2,(H,20,22)"	C1COCCN1C2=CC3=C(C=C2)NC(=CC3=O)C4=CC=CC=C4	CDLDNONKTVBHFT-UHFFFAOYSA-N
DG55512	"6,7-Dimethoxy-2-phenyl-1H-quinolin-4-one"	381132	"CHEMBL14525; KUC100232; 6,7-Dimethoxy-2-phenyl-1H-quinolin-4-one; KUC100232N; BDBM50041133; NSC667449; NSC-667449; NCI60_023440; 2-Phenyl-6,7-dimethoxy-1,4-dihydroquinoline-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667449	.	.	.	.	281.3	C17H15NO3	47.6	414	3.1	21	1	4	3	"InChI=1S/C17H15NO3/c1-20-16-8-12-14(10-17(16)21-2)18-13(9-15(12)19)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19)"	COC1=C(C=C2C(=C1)C(=O)C=C(N2)C3=CC=CC=C3)OC	WYKXXNRFYDQUDT-UHFFFAOYSA-N
DG55513	"2-(3-Methoxyphenyl)-1,8-naphthyridin-4(1h)-one"	381133	"CHEMBL276541; NSC667450; 2-(3-methoxyphenyl)-1,8-naphthyridin-4(1h)-one; SCHEMBL7925181; ZINC5503298; BDBM50059122; NSC-667450; NCI60_023441; 2-(3-Methoxy-phenyl)-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667450	.	.	.	.	252.27	C15H12N2O2	51.2	380	2.4	19	1	4	2	"InChI=1S/C15H12N2O2/c1-19-11-5-2-4-10(8-11)13-9-14(18)12-6-3-7-16-15(12)17-13/h2-9H,1H3,(H,16,17,18)"	COC1=CC=CC(=C1)C2=CC(=O)C3=C(N2)N=CC=C3	DVIFGVPPUSCDGE-UHFFFAOYSA-N
DG55514	"2-(3-Methoxyphenyl)-6-methyl-1,8-naphthyridin-4(1h)-one"	381134	"CHEMBL298378; NSC667451; SCHEMBL7921845; 2-(3-methoxyphenyl)-6-methyl-1,8-naphthyridin-4(1h)-one; 2-(3-Methoxy-phenyl)-6-methyl-1H-[1,8]naphthyridin-4-one; BDBM50059111; NSC-667451; NCI60_023442"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667451	.	.	.	.	266.29	C16H14N2O2	51.2	407	2.8	20	1	4	2	"InChI=1S/C16H14N2O2/c1-10-6-13-15(19)8-14(18-16(13)17-9-10)11-4-3-5-12(7-11)20-2/h3-9H,1-2H3,(H,17,18,19)"	CC1=CC2=C(NC(=CC2=O)C3=CC(=CC=C3)OC)N=C1	KEHHYURJHUIQKN-UHFFFAOYSA-N
DG55515	"2-(3-Methoxyphenyl)-6-chloro-1,8-naphthyridin-4(1H)-one"	381135	"CHEMBL72252; NSC667452; Neuro_000400; SCHEMBL7921823; BDBM50059100; NSC-667452; NCI60_023443; 2-(3-Methoxyphenyl)-6-chloro-1,8-naphthyridin-4(1H)-one; 6-Chloro-2-(3-methoxy-phenyl)-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667452	.	.	.	.	286.71	C15H11ClN2O2	51.2	413	3.1	20	1	4	2	"InChI=1S/C15H11ClN2O2/c1-20-11-4-2-3-9(5-11)13-7-14(19)12-6-10(16)8-17-15(12)18-13/h2-8H,1H3,(H,17,18,19)"	COC1=CC=CC(=C1)C2=CC(=O)C3=C(N2)N=CC(=C3)Cl	TUQJHHCDZRJOFM-UHFFFAOYSA-N
DG55516	"5-(9H-pyrido[3,4-b]indol-1-yl)furan-2-carbaldehyde"	381136	NSC667454; CHEMBL1998553; NSC-667454; NCI60_023445	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667454	.	.	.	.	262.26	C16H10N2O2	58.9	376	2.9	20	1	3	2	"InChI=1S/C16H10N2O2/c19-9-10-5-6-14(20-10)16-15-12(7-8-17-16)11-3-1-2-4-13(11)18-15/h1-9,18H"	C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=C(O4)C=O	QRFCAMFPXQKHAG-UHFFFAOYSA-N
DG55517	"2-(3,4-dimethoxyphenyl)-8-methoxy-3-nitro-2H-chromene"	381153	"NSC667471; 2-(3,4-dimethoxyphenyl)-8-methoxy-3-nitro-2H-chromene; Oprea1_241757; CHEMBL1985746; STK766820; AKOS001725833; MCULE-3555840279; NSC-667471; NCI60_023461; EU-0019596; SR-01000536593; SR-01000536593-1; (2-(3,4-Dimethoxyphenyl)-8-methoxy-2H-chromen-3-yl)(hydroxy)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667471	.	.	.	.	343.3	C18H17NO6	82.7	504	3.4	25	0	6	4	"InChI=1S/C18H17NO6/c1-22-14-8-7-12(10-16(14)24-3)17-13(19(20)21)9-11-5-4-6-15(23-2)18(11)25-17/h4-10,17H,1-3H3"	COC1=C(C=C(C=C1)C2C(=CC3=C(O2)C(=CC=C3)OC)[N+](=O)[O-])OC	XIYCSWUAXBKLHP-UHFFFAOYSA-N
DG55518	6-chloro-2-(1-naphthyl)-3-nitro-2H-chromene	381154	NSC667472; 106202-45-3; CHEMBL1977213; DTXSID60327583; NSC-667472; NCI60_023462; 6-chloro-2-(1-naphthyl)-3-nitro-2H-chromene; (6-Chloro-2-(1-naphthyl)-2H-chromen-3-yl)(hydroxy)azane oxide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667472	.	.	.	.	337.8	C19H12ClNO3	55	517	5.4	24	0	3	1	"InChI=1S/C19H12ClNO3/c20-14-8-9-18-13(10-14)11-17(21(22)23)19(24-18)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,19H"	C1=CC=C2C(=C1)C=CC=C2C3C(=CC4=C(O3)C=CC(=C4)Cl)[N+](=O)[O-]	YMXKIRWWZRAINA-UHFFFAOYSA-N
DG55519	"N-[4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]-N-[4-(dimethylamino)phenyl]amine"	381173	"NSC667503; CHEMBL2000382; ZINC17252211; ZINC103711377; ZINC252643507; MCULE-6358448388; NSC-667503; N-[4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]-N-[4-(dimethylamino)phenyl]amine; NCI60_023479; AN-689/41741191; N4-[(4Z,5Z)-4,5-bis(phenylimino)thiazol-2-yl]-N1,N1-dimethyl-benzene-1,4-diamine; N~1~-(4,5-Bis(phenylimino)-4,5-dihydro-1,3-thiazol-2-yl)-N~4~,N~4~-dimethyl-1,4-benzenediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667503	.	.	.	.	399.5	C23H21N5S	77.6	621	5.6	29	1	4	5	"InChI=1S/C23H21N5S/c1-28(2)20-15-13-19(14-16-20)26-23-27-21(24-17-9-5-3-6-10-17)22(29-23)25-18-11-7-4-8-12-18/h3-16H,1-2H3,(H,24,26,27)"	CN(C)C1=CC=C(C=C1)N=C2N=C(C(=NC3=CC=CC=C3)S2)NC4=CC=CC=C4	ZVDZXGJOEJSOLX-UHFFFAOYSA-N
DG55520	"3-Benzyl-1,3-thiazepane-2,4-dione"	381180	"NSC667511; 3-Benzyl-1,3-thiazepane-2,4-dione; CHEMBL1982995; ZINC1642568; NSC-667511; NCI60_023487"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667511	.	.	.	.	235.3	C12H13NO2S	62.7	274	2	16	0	3	2	"InChI=1S/C12H13NO2S/c14-11-7-4-8-16-12(15)13(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2"	C1CC(=O)N(C(=O)SC1)CC2=CC=CC=C2	COUXFXBRDLTIDT-UHFFFAOYSA-N
DG55521	"6-(Benzoylamino)-N-isobutyl-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxamide"	381181	"NSC667512; CHEMBL1974093; NSC-667512; 6-(Benzoylamino)-N-isobutyl-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxamide; NCI60_023488; 6-benzamido-N-isobutyl-2,4-dioxo-3-phenyl-1H-thieno[2,3-d]pyrimidine-5-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667512	.	.	.	.	462.5	C24H22N4O4S	136	764	4.5	33	3	5	6	"InChI=1S/C24H22N4O4S/c1-14(2)13-25-20(30)17-18-22(33-21(17)26-19(29)15-9-5-3-6-10-15)27-24(32)28(23(18)31)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,25,30)(H,26,29)(H,27,32)"	CC(C)CNC(=O)C1=C(SC2=C1C(=O)N(C(=O)N2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4	IWDJWKPZPVONOF-UHFFFAOYSA-N
DG55522	"Ethyl 5,6-diphenyl-3-((triphenylphosphoranylidene)amino)-4-pyridazinecarboxylate"	381182	"NSC667513; CHEMBL1987653; NSC-667513; Ethyl 5,6-diphenyl-3-((triphenylphosphoranylidene)amino)-4-pyridazinecarboxylate; NCI60_023489; ethyl 5,6-diphenyl-3-[(triphenyl-$l^{5}-phosphanylidene)amino]pyridazine-4-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667513	.	.	.	.	579.6	C37H30N3O2P	64.4	859	8.2	43	0	5	9	"InChI=1S/C37H30N3O2P/c1-2-42-37(41)34-33(28-18-8-3-9-19-28)35(29-20-10-4-11-21-29)38-39-36(34)40-43(30-22-12-5-13-23-30,31-24-14-6-15-25-31)32-26-16-7-17-27-32/h3-27H,2H2,1H3"	CCOC(=O)C1=C(C(=NN=C1N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6	NTSPCRVUULMDBC-UHFFFAOYSA-N
DG55523	"3-Hydroxy-1,3-diphenyl-2,3,3a,10a-tetrahydrocyclopenta[c][1]benzazepine-4,10(1H,5H)-dione"	381187	"NSC667518; 3-Hydroxy-1,3-diphenyl-2,3,3a,10a-tetrahydrocyclopenta[c][1]benzazepine-4,10(1H,5H)-dione; CHEMBL1971700; NSC-667518; 3-hydroxy-1,3-diphenyl-2,3a,5,10a-tetrahydro-1H-cyclopenta[c][1]benzazepine-4,10-dione; NCI60_023494"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667518	.	.	.	.	383.4	C25H21NO3	66.4	636	3.1	29	2	3	2	"InChI=1S/C25H21NO3/c27-23-18-13-7-8-14-20(18)26-24(28)22-21(23)19(16-9-3-1-4-10-16)15-25(22,29)17-11-5-2-6-12-17/h1-14,19,21-22,29H,15H2,(H,26,28)"	C1C(C2C(C1(C3=CC=CC=C3)O)C(=O)NC4=CC=CC=C4C2=O)C5=CC=CC=C5	UZEGZIRZTKQDJC-UHFFFAOYSA-N
DG55524	"2-phenyl-N-[(3S,9R,13S)-2,8,12-trioxo-11-oxa-1,7-diazatricyclo[11.3.0.03,7]hexadecan-9-yl]acetamide"	381189	NSC667520; CHEMBL1997180; NSC-667520; NCI60_023496	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667520	.	.	.	.	399.4	C21H25N3O5	96	675	1	29	1	5	3	"InChI=1S/C21H25N3O5/c25-18(12-14-6-2-1-3-7-14)22-15-13-29-21(28)17-9-5-11-24(17)20(27)16-8-4-10-23(16)19(15)26/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,25)/t15-,16+,17+/m1/s1"	C1C[C@H]2C(=O)OC[C@H](C(=O)N3CCC[C@H]3C(=O)N2C1)NC(=O)CC4=CC=CC=C4	SNASQQZXAQOOIZ-IKGGRYGDSA-N
DG55525	"[3,4,5-Triacetoxy-6-[3-cyano-4-(1-naphthyl)-2-thioxo-5,6,7,8-tetrahydroquinolin-1-yl]tetrahydropyran-2-yl]methyl acetate"	381196	"NSC667527; CHEMBL1994792; NSC-667527; NCI60_023503; [3,4,5-triacetoxy-6-[3-cyano-4-(1-naphthyl)-2-thioxo-5,6,7,8-tetrahydroquinolin-1-yl]tetrahydropyran-2-yl]methyl acetate; 3-Quinolinecarbonitrile, 1,2,5,6,7,8-hexahydro-4-(1-naphthalenyl)-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-2-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667527	.	.	.	.	646.7	C34H34N2O9S	174	1380	3.7	46	0	11	11	"InChI=1S/C34H34N2O9S/c1-18(37)41-17-28-30(42-19(2)38)31(43-20(3)39)32(44-21(4)40)33(45-28)36-27-15-8-7-13-25(27)29(26(16-35)34(36)46)24-14-9-11-22-10-5-6-12-23(22)24/h5-6,9-12,14,28,30-33H,7-8,13,15,17H2,1-4H3"	CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCCC3)C(=C(C2=S)C#N)C4=CC=CC5=CC=CC=C54)OC(=O)C)OC(=O)C)OC(=O)C	HKIHQXATHLDJDP-UHFFFAOYSA-N
DG55526	"[3,4,5-Triacetoxy-6-[3-cyano-4-(2-furyl)-2-thioxo-5,6,7,8-tetrahydroquinolin-1-yl]tetrahydropyran-2-yl]methyl acetate"	381199	"NSC667530; CHEMBL2004702; NSC-667530; NCI60_023506; [3,4,5-triacetoxy-6-[3-cyano-4-(2-furyl)-2-thioxo-5,6,7,8-tetrahydroquinolin-1-yl]tetrahydropyran-2-yl]methyl acetate; 3-Quinolinecarbonitrile, 4-(2-furanyl)-1,2,5,6,7,8-hexahydro-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-2-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667530	.	.	.	.	586.6	C28H30N2O10S	187	1230	1.6	41	0	12	11	"InChI=1S/C28H30N2O10S/c1-14(31)36-13-22-24(37-15(2)32)25(38-16(3)33)26(39-17(4)34)27(40-22)30-20-9-6-5-8-18(20)23(19(12-29)28(30)41)21-10-7-11-35-21/h7,10-11,22,24-27H,5-6,8-9,13H2,1-4H3"	CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCCC3)C(=C(C2=S)C#N)C4=CC=CO4)OC(=O)C)OC(=O)C)OC(=O)C	IEAUJZRVZPBRTJ-UHFFFAOYSA-N
DG55527	"3-Quinolinecarbonitrile, 1-hexopyranosyl-1,2,5,6,7,8-hexahydro-4-(4-methoxyphenyl)-2-thioxo-"	381200	"NSC667531; CHEMBL2000478; NSC-667531; 3-Quinolinecarbonitrile, 1-hexopyranosyl-1,2,5,6,7,8-hexahydro-4-(4-methoxyphenyl)-2-thioxo-; NCI60_023507; 4-(4-methoxyphenyl)-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667531	.	.	.	.	458.5	C23H26N2O6S	159	856	0.7	32	4	8	4	"InChI=1S/C23H26N2O6S/c1-30-13-8-6-12(7-9-13)18-14-4-2-3-5-16(14)25(23(32)15(18)10-24)22-21(29)20(28)19(27)17(11-26)31-22/h6-9,17,19-22,26-29H,2-5,11H2,1H3"	COC1=CC=C(C=C1)C2=C(C(=S)N(C3=C2CCCC3)C4C(C(C(C(O4)CO)O)O)O)C#N	UNYDCIUYILQIRL-UHFFFAOYSA-N
DG55528	NSC667533	381202	"Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate; NSC667533; CHEMBL1973405; NSC-667533; NCI60_023509; 3-Pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,6-dihydro-2-methyl-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-6-thioxo-, ethyl ester; ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667533	.	.	.	.	663.1	C30H31ClN2O11S	200	1340	2.6	45	0	13	14	"InChI=1S/C30H31ClN2O11S/c1-7-39-30(38)23-14(2)33(29(45)21(12-32)24(23)19-8-10-20(31)11-9-19)28-27(43-18(6)37)26(42-17(5)36)25(41-16(4)35)22(44-28)13-40-15(3)34/h8-11,22,25-28H,7,13H2,1-6H3"	CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)Cl)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C	XPNWJRUOPHZWHJ-UHFFFAOYSA-N
DG55529	"Ethyl 5-cyano-2-methyl-4-(1-naphthyl)-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate"	381203	"NSC667535; CHEMBL1991555; NSC-667535; NCI60_023511; 3-Pyridinecarboxylic acid, 5-cyano-1,6-dihydro-2-methyl-4-(1-naphthalenyl)-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-6-thioxo-, ethyl ester; ethyl 5-cyano-2-methyl-4-(1-naphthyl)-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667535	.	.	.	.	678.7	C34H34N2O11S	200	1450	3.3	48	0	13	14	"InChI=1S/C34H34N2O11S/c1-7-42-34(41)27-17(2)36(33(48)25(15-35)28(27)24-14-10-12-22-11-8-9-13-23(22)24)32-31(46-21(6)40)30(45-20(5)39)29(44-19(4)38)26(47-32)16-43-18(3)37/h8-14,26,29-32H,7,16H2,1-6H3"	CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC=CC3=CC=CC=C32)C#N)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C	VEHGZWVRQJUION-UHFFFAOYSA-N
DG55530	"[3,4,5-Triacetoxy-6-(5-cyano-3-ethyl-4-methyl-2-phenyl-6-thioxo-1-pyridyl)tetrahydropyran-2-yl]methyl acetate"	381205	"NSC667537; CHEMBL1985949; ZINC05956146; NSC-667537; NCI60_023513; [3,4,5-triacetoxy-6-(5-cyano-3-ethyl-4-methyl-2-phenyl-6-thioxo-1-pyridyl)tetrahydropyran-2-yl]methyl acetate; 3-Pyridinecarbonitrile, 5-ethyl-1,2-dihydro-4-methyl-6-phenyl-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-2-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667537	.	.	.	.	584.6	C29H32N2O9S	174	1190	2.4	41	0	11	12	"InChI=1S/C29H32N2O9S/c1-7-21-15(2)22(13-30)29(41)31(24(21)20-11-9-8-10-12-20)28-27(39-19(6)35)26(38-18(5)34)25(37-17(4)33)23(40-28)14-36-16(3)32/h8-12,23,25-28H,7,14H2,1-6H3"	CCC1=C(N(C(=S)C(=C1C)C#N)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C3=CC=CC=C3	JSKLVBDEGWHGLG-UHFFFAOYSA-N
DG55531	"3-Pyridinecarbonitrile, 5-acetyl-4-(4-chlorophenyl)-1-hexopyranosyl-1,2-dihydro-6-methyl-2-thioxo-"	381214	"NSC667548; CHEMBL1979141; NSC-667548; 3-Pyridinecarbonitrile, 5-acetyl-4-(4-chlorophenyl)-1-hexopyranosyl-1,2-dihydro-6-methyl-2-thioxo-; NCI60_023524; 5-acetyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667548	.	.	.	.	464.9	C21H21ClN2O6S	166	872	0.4	31	4	8	4	"InChI=1S/C21H21ClN2O6S/c1-9-15(10(2)26)16(11-3-5-12(22)6-4-11)13(7-23)21(31)24(9)20-19(29)18(28)17(27)14(8-25)30-20/h3-6,14,17-20,25,27-29H,8H2,1-2H3"	CC1=C(C(=C(C(=S)N1C2C(C(C(C(O2)CO)O)O)O)C#N)C3=CC=C(C=C3)Cl)C(=O)C	YCRUDLAZLLCJBC-UHFFFAOYSA-N
DG55532	"[3,4,5-Triacetoxy-6-[3-acetyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate"	381219	"NSC667556; CHEMBL1994080; NSC-667556; NCI60_023532; [3,4,5-triacetoxy-6-[3-acetyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate; 3-Pyridinecarbonitrile, 5-acetyl-1,2-dihydro-4-(4-methoxyphenyl)-6-methyl-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-2-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667556	.	.	.	.	628.6	C30H32N2O11S	200	1320	1.5	44	0	13	13	"InChI=1S/C30H32N2O11S/c1-14-24(15(2)33)25(20-8-10-21(38-7)11-9-20)22(12-31)30(44)32(14)29-28(42-19(6)37)27(41-18(5)36)26(40-17(4)35)23(43-29)13-39-16(3)34/h8-11,23,26-29H,13H2,1-7H3"	CC1=C(C(=C(C(=S)N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C3=CC=C(C=C3)OC)C(=O)C	BYWOBGAGUHONLO-UHFFFAOYSA-N
DG55533	"[3,4,5-Triacetoxy-6-[3-acetyl-4-(4-chlorophenyl)-5-cyano-2-phenyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate"	381220	"NSC667557; CHEMBL1987416; NSC-667557; NCI60_023533; [3,4,5-triacetoxy-6-[3-acetyl-4-(4-chlorophenyl)-5-cyano-2-phenyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate; 3-Pyridinecarbonitrile, 5-acetyl-4-(4-chlorophenyl)-1,2-dihydro-6-phenyl-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-2-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667557	.	.	.	.	695.1	C34H31ClN2O10S	191	1440	3.4	48	0	12	13	"InChI=1S/C34H31ClN2O10S/c1-17(38)27-28(22-11-13-24(35)14-12-22)25(15-36)34(48)37(29(27)23-9-7-6-8-10-23)33-32(46-21(5)42)31(45-20(4)41)30(44-19(3)40)26(47-33)16-43-18(2)39/h6-14,26,30-33H,16H2,1-5H3"	CC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)Cl)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4	VYOCBGNYQDEVBJ-UHFFFAOYSA-N
DG55534	Unk-4Abz-DL-Dab(Bz(2-CO2H))-OH.CH3CO2H	381232	NSC667640; CHEMBL1968051; NSC-667640	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667640	.	.	.	.	619.6	C28H29N9O8	286	964	.	45	8	15	11	"InChI=1S/C26H25N9O6.C2H4O2/c27-20-19-21(35-26(28)34-20)31-12-15(32-19)11-30-14-7-5-13(6-8-14)22(36)33-18(25(40)41)9-10-29-23(37)16-3-1-2-4-17(16)24(38)39;1-2(3)4/h1-8,12,18,30H,9-11H2,(H,29,37)(H,33,36)(H,38,39)(H,40,41)(H4,27,28,31,34,35);1H3,(H,3,4)"	CC(=O)O.C1=CC=C(C(=C1)C(=O)NCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)O	MMPPVXHIYQJYQT-UHFFFAOYSA-N
DG55535	"N-(5-Carboxy-5-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentyl)-phthalamic acid"	381234	"CHEMBL44919; NSC667641; BDBM50039119; NSC-667641; NCI60_023542; N-(5-Carboxy-5-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentyl)-phthalamic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667641	.	.	.	.	587.6	C28H29N9O6	248	965	-0.3	43	7	13	13	"InChI=1S/C28H29N9O6/c29-22-21-23(37-28(30)36-22)33-14-17(34-21)13-32-16-10-8-15(9-11-16)24(38)35-20(27(42)43)7-3-4-12-31-25(39)18-5-1-2-6-19(18)26(40)41/h1-2,5-6,8-11,14,20,32H,3-4,7,12-13H2,(H,31,39)(H,35,38)(H,40,41)(H,42,43)(H4,29,30,33,36,37)"	C1=CC=C(C(=C1)C(=O)NCCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)O	LZWQNHLDOZAEHC-UHFFFAOYSA-N
DG55536	"[3,4,5-triacetoxy-6-[3-cyano-4-(2-furyl)-2-thioxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate"	381282	"NSC667718; CHEMBL2005621; NSC-667718; NCI60_023575; [3,4,5-triacetoxy-6-[3-cyano-4-(2-furyl)-2-thioxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate; 1H-Cyclopenta[b]pyridine-3-carbonitrile, 4-(2-furanyl)-2,5,6,7-tetrahydro-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-2-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667718	.	.	.	.	572.6	C27H28N2O10S	187	1220	1	40	0	12	11	"InChI=1S/C27H28N2O10S/c1-13(30)35-12-21-23(36-14(2)31)24(37-15(3)32)25(38-16(4)33)26(39-21)29-19-8-5-7-17(19)22(18(11-28)27(29)40)20-9-6-10-34-20/h6,9-10,21,23-26H,5,7-8,12H2,1-4H3"	CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCC3)C(=C(C2=S)C#N)C4=CC=CO4)OC(=O)C)OC(=O)C)OC(=O)C	DVTUVARBTBDACU-UHFFFAOYSA-N
DG55537	"[3,4,5-triacetoxy-6-[5-cyano-2,4-dimethyl-3-[(E)-p-tolylazo]-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate"	381287	"NSC667723; CHEMBL1995727; NSC-667723; NCI60_023580; [3,4,5-triacetoxy-6-[5-cyano-2,4-dimethyl-3-[(E)-p-tolylazo]-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate; 3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-5-[(E)-(4-methylphenyl)azo]-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-2-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667723	.	.	.	.	612.7	C29H32N4O9S	198	1290	2.7	43	0	13	12	"InChI=1S/C29H32N4O9S/c1-14-8-10-21(11-9-14)31-32-24-15(2)22(12-30)29(43)33(16(24)3)28-27(41-20(7)37)26(40-19(6)36)25(39-18(5)35)23(42-28)13-38-17(4)34/h8-11,23,25-28H,13H2,1-7H3"	CC1=CC=C(C=C1)N=NC2=C(N(C(=S)C(=C2C)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C	HIPFSHCFKBXOCU-UHFFFAOYSA-N
DG55538	"[3,4,5-triacetoxy-6-[3-[(E)-(4-chlorophenyl)azo]-5-cyano-2,4-dimethyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate"	381289	"NSC667725; CHEMBL2003289; NSC-667725; NCI60_023582; [3,4,5-triacetoxy-6-[3-[(E)-(4-chlorophenyl)azo]-5-cyano-2,4-dimethyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate; 3-Pyridinecarbonitrile, 5-[(E)-(4-chlorophenyl)azo]-1,2-dihydro-4,6-dimethyl-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-2-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667725	.	.	.	.	633.1	C28H29ClN4O9S	198	1300	2.9	43	0	13	12	"InChI=1S/C28H29ClN4O9S/c1-13-21(11-30)28(43)33(14(2)23(13)32-31-20-9-7-19(29)8-10-20)27-26(41-18(6)37)25(40-17(5)36)24(39-16(4)35)22(42-27)12-38-15(3)34/h7-10,22,24-27H,12H2,1-6H3"	CC1=C(C(=S)N(C(=C1N=NC2=CC=C(C=C2)Cl)C)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N	HWYDUVYOBCHLGP-UHFFFAOYSA-N
DG55539	NSC667728	381292	"[3,4,5-triacetoxy-6-[5-cyano-3-[(E)-(4-methoxyphenyl)azo]-4-methyl-2-phenyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate; NSC667728; CHEMBL1986205; NSC-667728; NCI60_023585; [3,4,5-triacetoxy-6-[5-cyano-3-[(E)-(4-methoxyphenyl)azo]-4-methyl-2-phenyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate; 3-Pyridinecarbonitrile, 1,2-dihydro-5-[(E)-(4-methoxyphenyl)azo]-4-methyl-6-phenyl-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-2-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667728	.	.	.	.	690.7	C34H34N4O10S	208	1440	3.5	49	0	14	14	"InChI=1S/C34H34N4O10S/c1-18-26(16-35)34(49)38(29(23-10-8-7-9-11-23)28(18)37-36-24-12-14-25(43-6)15-13-24)33-32(47-22(5)42)31(46-21(4)41)30(45-20(3)40)27(48-33)17-44-19(2)39/h7-15,27,30-33H,17H2,1-6H3"	CC1=C(C(=S)N(C(=C1N=NC2=CC=C(C=C2)OC)C3=CC=CC=C3)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N	GCTXJHUNAOSBJO-UHFFFAOYSA-N
DG55540	"3-Pyridinecarbonitrile, 1-hexopyranosyl-1,2-dihydro-4,6-dimethyl-5-[(E)-phenylazo]-2-thioxo-"	381294	"NSC667731; CHEMBL1988164; NSC-667731; 3-Pyridinecarbonitrile, 1-hexopyranosyl-1,2-dihydro-4,6-dimethyl-5-[(E)-phenylazo]-2-thioxo-; NCI60_023588; 4,6-dimethyl-5-[(E)-phenylazo]-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667731	.	.	.	.	430.5	C20H22N4O5S	174	826	0.6	30	4	9	4	"InChI=1S/C20H22N4O5S/c1-10-13(8-21)20(30)24(19-18(28)17(27)16(26)14(9-25)29-19)11(2)15(10)23-22-12-6-4-3-5-7-12/h3-7,14,16-19,25-28H,9H2,1-2H3"	CC1=C(C(=S)N(C(=C1N=NC2=CC=CC=C2)C)C3C(C(C(C(O3)CO)O)O)O)C#N	UPWGPMLIPLXQSD-UHFFFAOYSA-N
DG55541	"4-methyl-6-phenyl-5-[(E)-phenylazo]-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile"	381298	"NSC667735; CHEMBL1985685; NSC-667735; NCI60_023592; 3-Pyridinecarbonitrile, 1-hexopyranosyl-1,2-dihydro-4-methyl-6-phenyl-5-[(E)-phenylazo]-2-thioxo-; 4-methyl-6-phenyl-5-[(E)-phenylazo]-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667735	.	.	.	.	492.5	C25H24N4O5S	174	945	1.8	35	4	9	5	"InChI=1S/C25H24N4O5S/c1-14-17(12-26)25(35)29(24-23(33)22(32)21(31)18(13-30)34-24)20(15-8-4-2-5-9-15)19(14)28-27-16-10-6-3-7-11-16/h2-11,18,21-24,30-33H,13H2,1H3"	CC1=C(C(=S)N(C(=C1N=NC2=CC=CC=C2)C3=CC=CC=C3)C4C(C(C(C(O4)CO)O)O)O)C#N	IARNTNPDRQLSNE-UHFFFAOYSA-N
DG55542	"4-methyl-6-phenyl-5-[(E)-p-tolylazo]-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile"	381299	"NSC667736; CHEMBL2002835; NSC-667736; NCI60_023593; 3-Pyridinecarbonitrile, 1-hexopyranosyl-1,2-dihydro-4-methyl-5-[(E)-(4-methylphenyl)azo]-6-phenyl-2-thioxo-; 4-methyl-6-phenyl-5-[(E)-p-tolylazo]-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667736	.	.	.	.	506.6	C26H26N4O5S	174	974	2.2	36	4	9	5	"InChI=1S/C26H26N4O5S/c1-14-8-10-17(11-9-14)28-29-20-15(2)18(12-27)26(36)30(21(20)16-6-4-3-5-7-16)25-24(34)23(33)22(32)19(13-31)35-25/h3-11,19,22-25,31-34H,13H2,1-2H3"	CC1=CC=C(C=C1)N=NC2=C(N(C(=S)C(=C2C)C#N)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4	HTONCQGVDUPSAG-UHFFFAOYSA-N
DG55543	"[3,4,5-triacetoxy-6-[3-cyano-4-(2-furyl)-6-phenyl-2-sulfanyl-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate"	381302	"NSC667739; CHEMBL1988809; NSC-667739; NCI60_023596; Pyridine-3-carbonitrile,4-dihydro-6-phenyl-2-thio-, tetraacetate ester; [3,4,5-triacetoxy-6-[3-cyano-4-(2-furyl)-6-phenyl-2-sulfanyl-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate; 3-Pyridinecarbonitrile, 4-(2-furanyl)-1,4-dihydro-2-mercapto-6-phenyl-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667739	.	.	.	.	610.6	C30H30N2O10S	156	1200	2.9	43	1	13	12	"InChI=1S/C30H30N2O10S/c1-16(33)38-15-25-26(39-17(2)34)27(40-18(3)35)28(41-19(4)36)29(42-25)32-23(20-9-6-5-7-10-20)13-21(22(14-31)30(32)43)24-11-8-12-37-24/h5-13,21,25-29,43H,15H2,1-4H3"	CC(=O)OCC1C(C(C(C(O1)N2C(=CC(C(=C2S)C#N)C3=CC=CO3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C	AGWLLLXICPTGRC-UHFFFAOYSA-N
DG55544	NSC667740	381303	"Acetic acid 4,5-diacetoxy-6-acetoxymethyl-2-(3-cyano-2-mercapto-6-phenyl-4-thiophen-2-yl-4H-pyridin-1-yl)-tetrahydro-pyran-3-yl ester; NSC667740; CHEMBL1968341; NSC-667740; NCI60_023597; [3,4,5-triacetoxy-6-[3-cyano-6-phenyl-2-sulfanyl-4-(2-thienyl)-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate; Acetic acid 4,5-diacetoxy-6-acetoxymethyl-2-(3-cyano-2-mercapto-6-phenyl-4-thiophen-2-yl-4H-pyridin-1-yl)-tetrahydro-pyran-3-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667740	.	.	.	.	626.7	C30H30N2O9S2	171	1210	3.6	43	1	13	12	"InChI=1S/C30H30N2O9S2/c1-16(33)37-15-24-26(38-17(2)34)27(39-18(3)35)28(40-19(4)36)29(41-24)32-23(20-9-6-5-7-10-20)13-21(22(14-31)30(32)42)25-11-8-12-43-25/h5-13,21,24,26-29,42H,15H2,1-4H3"	CC(=O)OCC1C(C(C(C(O1)N2C(=CC(C(=C2S)C#N)C3=CC=CS3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C	ZHKWCHZDGBICTH-UHFFFAOYSA-N
DG55545	"5-Bromo-5-chloro-6-hydroxy-1,3-dimethyldihydro-2,4(1H,3H)-pyrimidinedione"	381307	"NSC667745; 5-Bromo-5-chloro-6-hydroxy-1,3-dimethyldihydro-2,4(1H,3H)-pyrimidinedione; CHEMBL1974690; NSC-667745; NCI60_023600; 5-bromo-5-chloro-6-hydroxy-1,3-dimethyl-hexahydropyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667745	.	.	.	.	271.49	C6H8BrClN2O3	60.8	275	0.1	13	1	3	0	"InChI=1S/C6H8BrClN2O3/c1-9-3(11)6(7,8)4(12)10(2)5(9)13/h3,11H,1-2H3"	CN1C(C(C(=O)N(C1=O)C)(Cl)Br)O	KQQVKJJBCQARKS-UHFFFAOYSA-N
DG55546	"Tetradecahydro-2,3-phenazinediamine"	381308	"NSC667746; Tetradecahydro-2,3-phenazinediamine; CHEMBL1976484; SCHEMBL14058746; 1,2,3,4,4a,5,5a,6,7,8,9,9a,10,10a-tetradecahydrophenazine-2,3-diamine; NSC-667746; NCI60_023601"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667746	.	.	.	.	224.35	C12H24N4	76.1	231	-0.7	16	4	4	0	"InChI=1S/C12H24N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h7-12,15-16H,1-6,13-14H2"	C1CCC2C(C1)NC3CC(C(CC3N2)N)N	IVGKTVAEYQVELZ-UHFFFAOYSA-N
DG55547	3-(Bis((4-methylphenyl)sulfonyl)amino)-2-quinoxalinyl 4-methylbenzenesulfonate	381310	NSC667748; CHEMBL2005488; ZINC5956526; NSC-667748; 3-(Bis((4-methylphenyl)sulfonyl)amino)-2-quinoxalinyl 4-methylbenzenesulfonate; NCI60_023603; [3-[bis(p-tolylsulfonyl)amino]quinoxalin-2-yl] 4-methylbenzenesulfonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667748	.	.	.	.	623.7	C29H25N3O7S3	166	1170	5.9	42	0	10	8	"InChI=1S/C29H25N3O7S3/c1-20-8-14-23(15-9-20)40(33,34)32(41(35,36)24-16-10-21(2)11-17-24)28-29(31-27-7-5-4-6-26(27)30-28)39-42(37,38)25-18-12-22(3)13-19-25/h4-19H,1-3H3"	CC1=CC=C(C=C1)S(=O)(=O)N(C2=NC3=CC=CC=C3N=C2OS(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C	FYNQLTHCAGGXNQ-UHFFFAOYSA-N
DG55548	"3-(((4-Methylphenyl)sulfonyl)oxy)pyrazino[2,3-b]quinoxalin-2-yl 4-methylbenzenesulfonate"	381318	"NSC667759; CHEMBL1969108; ZINC1642641; NSC-667759; 3-(((4-Methylphenyl)sulfonyl)oxy)pyrazino[2,3-b]quinoxalin-2-yl 4-methylbenzenesulfonate; NCI60_023608; [3-(p-tolylsulfonyloxy)pyrazino[2,3-b]quinoxalin-2-yl] 4-methylbenzenesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667759	.	.	.	.	522.6	C24H18N4O6S2	155	874	4.6	36	0	10	6	"InChI=1S/C24H18N4O6S2/c1-15-7-11-17(12-8-15)35(29,30)33-23-24(34-36(31,32)18-13-9-16(2)10-14-18)28-22-21(27-23)25-19-5-3-4-6-20(19)26-22/h3-14H,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=NC4=CC=CC=C4N=C3N=C2OS(=O)(=O)C5=CC=C(C=C5)C	CPZKCOVBWFYTQJ-UHFFFAOYSA-N
DG55549	"5-(Chloromethyl)-2,6-dihydroxy-4-pyrimidinecarbaldehyde"	381323	"NSC667844; 5-(Chloromethyl)-2,6-dihydroxy-4-pyrimidinecarbaldehyde; CHEMBL1964985; ZINC1642649; NSC-667844; NCI60_023612; 5-(chloromethyl)-2,6-dihydroxy-pyrimidine-4-carbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667844	.	.	.	.	188.57	C6H5ClN2O3	75.3	285	-0.9	12	2	3	2	"InChI=1S/C6H5ClN2O3/c7-1-3-4(2-10)8-6(12)9-5(3)11/h2H,1H2,(H2,8,9,11,12)"	C(C1=C(NC(=O)NC1=O)C=O)Cl	LIYSTICONMDDEZ-UHFFFAOYSA-N
DG55550	"8-(2,3-Dimethoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	381359	"NSC667899; CHEMBL2000666; NSC-667899; 8-(2,3-Dimethoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine; NCI60_023642; N-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-N-(4-methoxyphenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667899	.	.	.	.	449.5	C26H27NO6	67.4	628	5.7	33	1	7	6	"InChI=1S/C26H27NO6/c1-15-24(18-6-5-7-20(29-3)25(18)30-4)19-12-22-23(32-14-31-22)13-21(19)33-26(15)27-16-8-10-17(28-2)11-9-16/h5-13,15,24,26-27H,14H2,1-4H3"	CC1C(C2=CC3=C(C=C2OC1NC4=CC=C(C=C4)OC)OCO3)C5=C(C(=CC=C5)OC)OC	TVACMCACOWTLJP-UHFFFAOYSA-N
DG55551	"N'-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-4-methylbenzenesulfonohydrazide"	381361	"NSC667901; CHEMBL1989230; NSC-667901; N'-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-4-methylbenzenesulfonohydrazide; NCI60_023644; N'-[8-(2,3-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-4-methyl-benzenesulfonohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667901	.	.	.	.	512.6	C26H28N2O7S	113	831	4.9	36	2	9	7	"InChI=1S/C26H28N2O7S/c1-15-8-10-17(11-9-15)36(29,30)28-27-26-16(2)24(18-6-5-7-20(31-3)25(18)32-4)19-12-22-23(34-14-33-22)13-21(19)35-26/h5-13,16,24,26-28H,14H2,1-4H3"	CC1C(C2=CC3=C(C=C2OC1NNS(=O)(=O)C4=CC=C(C=C4)C)OCO3)C5=C(C(=CC=C5)OC)OC	NXTHYSFIBXFNOD-UHFFFAOYSA-N
DG55552	"2-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide"	381362	"NSC667902; 2-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide; CHEMBL1970254; NSC-667902; [[8-(2,3-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea; NCI60_023645"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667902	.	.	.	.	401.4	C20H23N3O6	113	580	2.6	29	3	7	5	"InChI=1S/C20H23N3O6/c1-10-17(11-5-4-6-13(25-2)18(11)26-3)12-7-15-16(28-9-27-15)8-14(12)29-19(10)22-23-20(21)24/h4-8,10,17,19,22H,9H2,1-3H3,(H3,21,23,24)"	CC1C(C2=CC3=C(C=C2OC1NNC(=O)N)OCO3)C4=C(C(=CC=C4)OC)OC	DNRVDUVKNOJDLE-UHFFFAOYSA-N
DG55553	"8-(2,3-Dimethoxyphenyl)-7-methyl-N-phenyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	381363	"NSC667903; CHEMBL1971436; NSC-667903; 8-(2,3-Dimethoxyphenyl)-7-methyl-N-phenyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine; NCI60_023646; N-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-N-phenylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667903	.	.	.	.	419.5	C25H25NO5	58.2	584	5.8	31	1	6	5	"InChI=1S/C25H25NO5/c1-15-23(17-10-7-11-19(27-2)24(17)28-3)18-12-21-22(30-14-29-21)13-20(18)31-25(15)26-16-8-5-4-6-9-16/h4-13,15,23,25-26H,14H2,1-3H3"	CC1C(C2=CC3=C(C=C2OC1NC4=CC=CC=C4)OCO3)C5=C(C(=CC=C5)OC)OC	GBOIKVXJSZURGV-UHFFFAOYSA-N
DG55554	"1-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-phenylhydrazine"	381364	"NSC667904; 1-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-phenylhydrazine; CHEMBL1985403; NSC-667904; NCI60_023647; 1-(8-(2,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-phenylhydrazine; 1-[8-(2,3-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenyl-hydrazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667904	.	.	.	.	434.5	C25H26N2O5	70.2	603	5.5	32	2	7	6	"InChI=1S/C25H26N2O5/c1-15-23(17-10-7-11-19(28-2)24(17)29-3)18-12-21-22(31-14-30-21)13-20(18)32-25(15)27-26-16-8-5-4-6-9-16/h4-13,15,23,25-27H,14H2,1-3H3"	CC1C(C2=CC3=C(C=C2OC1NNC4=CC=CC=C4)OCO3)C5=C(C(=CC=C5)OC)OC	ZTDFKWAUUJWEMX-UHFFFAOYSA-N
DG55555	"8-(2,3-Dimethoxyphenyl)-N,N-diethyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	381365	"NSC667905; CHEMBL1965813; NSC-667905; 8-(2,3-Dimethoxyphenyl)-N,N-diethyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine; NCI60_023648; N-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-N,N-diethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667905	.	.	.	.	399.5	C23H29NO5	49.4	529	4.9	29	0	6	6	"InChI=1S/C23H29NO5/c1-6-24(7-2)23-14(3)21(15-9-8-10-17(25-4)22(15)26-5)16-11-19-20(28-13-27-19)12-18(16)29-23/h8-12,14,21,23H,6-7,13H2,1-5H3"	CCN(CC)C1C(C(C2=CC3=C(C=C2O1)OCO3)C4=C(C(=CC=C4)OC)OC)C	XFZQJONSCZRGGL-UHFFFAOYSA-N
DG55556	"8-(4-Methoxyphenyl)-7-methyl-N-phenyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	381367	"NSC667907; CHEMBL1968955; NSC-667907; 8-(4-Methoxyphenyl)-7-methyl-N-phenyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine; NCI60_023650; N-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-N-phenylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667907	.	.	.	.	389.4	C24H23NO4	49	531	5.8	29	1	5	4	"InChI=1S/C24H23NO4/c1-15-23(16-8-10-18(26-2)11-9-16)19-12-21-22(28-14-27-21)13-20(19)29-24(15)25-17-6-4-3-5-7-17/h3-13,15,23-25H,14H2,1-2H3"	CC1C(C2=CC3=C(C=C2OC1NC4=CC=CC=C4)OCO3)C5=CC=C(C=C5)OC	VPTPHZDINJQVJU-UHFFFAOYSA-N
DG55557	"1-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine"	381369	"NSC667909; 1-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine; 1-[8-(2,3-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]piperidine; CHEMBL1994457; NSC-667909; NCI60_023652"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667909	.	.	.	.	411.5	C24H29NO5	49.4	570	5	30	0	6	4	"InChI=1S/C24H29NO5/c1-15-22(16-8-7-9-18(26-2)23(16)27-3)17-12-20-21(29-14-28-20)13-19(17)30-24(15)25-10-5-4-6-11-25/h7-9,12-13,15,22,24H,4-6,10-11,14H2,1-3H3"	CC1C(C2=CC3=C(C=C2OC1N4CCCCC4)OCO3)C5=C(C(=CC=C5)OC)OC	IGAAMAVEJGCBND-UHFFFAOYSA-N
DG55558	"1-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-phenylhydrazine"	381370	"NSC667910; 1-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-phenylhydrazine; CHEMBL1992437; NSC-667910; NCI60_023653; 1-[8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenyl-hydrazine; Methyl 4-(7-methyl-6-(2-phenylhydrazino)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667910	.	.	.	.	404.5	C24H24N2O4	61	549	5.6	30	2	6	5	"InChI=1S/C24H24N2O4/c1-15-23(16-8-10-18(27-2)11-9-16)19-12-21-22(29-14-28-21)13-20(19)30-24(15)26-25-17-6-4-3-5-7-17/h3-13,15,23-26H,14H2,1-2H3"	CC1C(C2=CC3=C(C=C2OC1NNC4=CC=CC=C4)OCO3)C5=CC=C(C=C5)OC	WFBVRMMXMLCJRR-UHFFFAOYSA-N
DG55559	"2-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide"	381371	"NSC667911; MLS002702184; 2-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide; CHEMBL1732700; NSC-667911; [[8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea; NCI60_023654; SMR001565747"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667911	.	.	.	.	371.4	C19H21N3O5	104	528	2.6	27	3	6	4	"InChI=1S/C19H21N3O5/c1-10-17(11-3-5-12(24-2)6-4-11)13-7-15-16(26-9-25-15)8-14(13)27-18(10)21-22-19(20)23/h3-8,10,17-18,21H,9H2,1-2H3,(H3,20,22,23)"	CC1C(C2=CC3=C(C=C2OC1NNC(=O)N)OCO3)C4=CC=C(C=C4)OC	GLLWVTQEQLAITJ-UHFFFAOYSA-N
DG55560	"2-(7-Methyl-6-(2-phenylhydrazino)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	381373	"NSC667913; 2-(7-Methyl-6-(2-phenylhydrazino)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol; 2-[7-methyl-6-(2-phenylhydrazino)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol; CHEMBL2007541; NSC-667913; NCI60_023656; 2-(7-methyl-6-(2-phenylhydrazinyl)-7,3]dioxolo[4,5-g]chromen-8-yl)phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667913	.	.	.	.	390.4	C23H22N2O4	72	543	5.2	29	3	6	4	"InChI=1S/C23H22N2O4/c1-14-22(16-9-5-6-10-18(16)26)17-11-20-21(28-13-27-20)12-19(17)29-23(14)25-24-15-7-3-2-4-8-15/h2-12,14,22-26H,13H2,1H3"	CC1C(C2=CC3=C(C=C2OC1NNC4=CC=CC=C4)OCO3)C5=CC=CC=C5O	BBXMIJIOSXULBG-UHFFFAOYSA-N
DG55561	"1-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazine"	381378	"NSC667918; 1-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazine; CHEMBL1999687; SCHEMBL15329298; NSC-667918; [7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]hydrazine; NCI60_023661"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667918	.	.	.	.	388.4	C20H24N2O6	93.4	511	2.9	28	2	8	5	"InChI=1S/C20H24N2O6/c1-10-18(11-5-16(23-2)19(25-4)17(6-11)24-3)12-7-14-15(27-9-26-14)8-13(12)28-20(10)22-21/h5-8,10,18,20,22H,9,21H2,1-4H3"	CC1C(C2=CC3=C(C=C2OC1NN)OCO3)C4=CC(=C(C(=C4)OC)OC)OC	HUJNELKPXBNWGW-UHFFFAOYSA-N
DG55562	"6-((2-Hydroxyphenyl)(4-morpholinyl)methyl)-1,3-benzodioxol-5-ol"	381381	"NSC667921; NSC-667921; 6-((2-Hydroxyphenyl)(4-morpholinyl)methyl)-1,3-benzodioxol-5-ol; Oprea1_713057; cid_381381; CHEMBL1360077; SCHEMBL21808855; BDBM41965; 6-[(2-hydroxyphenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol; NCI60_023664; 6-[(2-hydroxyphenyl)-morpholino-methyl]sesamol; 6-[(2-hydroxyphenyl)-morpholino-methyl]-1,3-benzodioxol-5-ol; 6-[(2-hydroxyphenyl)-(4-morpholinyl)methyl]-1,3-benzodioxol-5-ol; 6-[(2-hydroxyphenyl)-morpholin-4-yl-methyl]-1,3-benzodioxol-5-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667921	.	.	.	.	329.3	C18H19NO5	71.4	416	2.2	24	2	6	3	"InChI=1S/C18H19NO5/c20-14-4-2-1-3-12(14)18(19-5-7-22-8-6-19)13-9-16-17(10-15(13)21)24-11-23-16/h1-4,9-10,18,20-21H,5-8,11H2"	C1COCCN1C(C2=CC=CC=C2O)C3=CC4=C(C=C3O)OCO4	ZTWUKTVOOCFFCZ-UHFFFAOYSA-N
DG55563	"4-Methyl-N'-(7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)benzenesulfonohydrazide"	381384	"NSC667924; 4-Methyl-N'-(7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)benzenesulfonohydrazide; 4-methyl-N'-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]benzenesulfonohydrazide; CHEMBL1989848; SCHEMBL19425418; NSC-667924; NCI60_023667"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667924	.	.	.	.	542.6	C27H30N2O8S	122	865	4.9	38	2	10	8	"InChI=1S/C27H30N2O8S/c1-15-6-8-18(9-7-15)38(30,31)29-28-27-16(2)25(17-10-23(32-3)26(34-5)24(11-17)33-4)19-12-21-22(36-14-35-21)13-20(19)37-27/h6-13,16,25,27-29H,14H2,1-5H3"	CC1C(C2=CC3=C(C=C2OC1NNS(=O)(=O)C4=CC=C(C=C4)C)OCO3)C5=CC(=C(C(=C5)OC)OC)OC	IHRHBTUTNJIKMJ-UHFFFAOYSA-N
DG55564	"1-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-phenylhydrazine"	381385	"NSC667925; 1-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-phenylhydrazine; CHEMBL1972166; NSC-667925; NCI60_023668; 1-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenyl-hydrazine; Hydrazine,8-dihydro-8-(3,4,5-trimethoxyphenyl)- 7-methyl-6H-1,3-dioxolo[4,5-g][1]benzopyran-6-yl]- 2-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667925	.	.	.	.	464.5	C26H28N2O6	79.4	635	5.5	34	2	8	7	"InChI=1S/C26H28N2O6/c1-15-24(16-10-22(29-2)25(31-4)23(11-16)30-3)18-12-20-21(33-14-32-20)13-19(18)34-26(15)28-27-17-8-6-5-7-9-17/h5-13,15,24,26-28H,14H2,1-4H3"	CC1C(C2=CC3=C(C=C2OC1NNC4=CC=CC=C4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC	YFARKMXUKUVOFZ-UHFFFAOYSA-N
DG55565	"N'-(8-(2-Hydroxy-3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-4-methylbenzenesulfonohydrazide"	381386	"NSC667926; CHEMBL2006266; NSC-667926; N'-(8-(2-Hydroxy-3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-4-methylbenzenesulfonohydrazide; NCI60_023669; N'-[8-(2-hydroxy-3-methoxy-phenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-4-methyl-benzenesulfonohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667926	.	.	.	.	498.5	C25H26N2O7S	124	815	4.6	35	3	9	6	"InChI=1S/C25H26N2O7S/c1-14-7-9-16(10-8-14)35(29,30)27-26-25-15(2)23(17-5-4-6-19(31-3)24(17)28)18-11-21-22(33-13-32-21)12-20(18)34-25/h4-12,15,23,25-28H,13H2,1-3H3"	CC1C(C2=CC3=C(C=C2OC1NNS(=O)(=O)C4=CC=C(C=C4)C)OCO3)C5=C(C(=CC=C5)OC)O	GZSNZQVDGGAGBN-UHFFFAOYSA-N
DG55566	"7-Methyl-N-phenyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	381387	"NSC667927; CHEMBL1964866; NSC-667927; 7-Methyl-N-phenyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine; NCI60_023670; N-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-N-phenylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667927	.	.	.	.	449.5	C26H27NO6	67.4	616	5.7	33	1	7	6	"InChI=1S/C26H27NO6/c1-15-24(16-10-22(28-2)25(30-4)23(11-16)29-3)18-12-20-21(32-14-31-20)13-19(18)33-26(15)27-17-8-6-5-7-9-17/h5-13,15,24,26-27H,14H2,1-4H3"	CC1C(C2=CC3=C(C=C2OC1NC4=CC=CC=C4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC	TWCCUNNTUQFHLR-UHFFFAOYSA-N
DG55567	"N,N-Diethyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	381388	"NSC667928; MLS002702187; CHEMBL1723636; NSC-667928; N,N-Diethyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine; NCI60_023671; SMR001565750; N,N-Diethyl-N-(7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667928	.	.	.	.	429.5	C24H31NO6	58.6	560	4.8	31	0	7	7	"InChI=1S/C24H31NO6/c1-7-25(8-2)24-14(3)22(15-9-20(26-4)23(28-6)21(10-15)27-5)16-11-18-19(30-13-29-18)12-17(16)31-24/h9-12,14,22,24H,7-8,13H2,1-6H3"	CCN(CC)C1C(C(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)C	FEMIEKUWTKIHRN-UHFFFAOYSA-N
DG55568	"2-((7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)amino)ethanol"	381390	"NSC667930; 2-((7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)amino)ethanol; 2-[[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]ethanol; CHEMBL1994293; SCHEMBL19419822; NSC-667930; NCI60_023673"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667930	.	.	.	.	417.5	C22H27NO7	87.6	538	3	30	2	8	7	"InChI=1S/C22H27NO7/c1-12-20(13-7-18(25-2)21(27-4)19(8-13)26-3)14-9-16-17(29-11-28-16)10-15(14)30-22(12)23-5-6-24/h7-10,12,20,22-24H,5-6,11H2,1-4H3"	CC1C(C2=CC3=C(C=C2OC1NCCO)OCO3)C4=CC(=C(C(=C4)OC)OC)OC	CHLPTPUGQIRMDQ-UHFFFAOYSA-N
DG55569	"N-(4-Methoxyphenyl)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	381391	"NSC667931; MLS002702189; CHEMBL1711084; SCHEMBL19419801; NSC-667931; N-(4-Methoxyphenyl)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine; NCI60_023674; SMR001565752; 6H-1,5-g][1]benzopyran-6-amine, 7,8-dihydro- N-(4-methoxyphenyl)-8-(3,4,5-trimethoxyphenyl)-7-methyl-; N-(4-Methoxyphenyl)-N-(7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667931	.	.	.	.	479.5	C27H29NO7	76.6	660	5.7	35	1	8	7	"InChI=1S/C27H29NO7/c1-15-25(16-10-23(30-3)26(32-5)24(11-16)31-4)19-12-21-22(34-14-33-21)13-20(19)35-27(15)28-17-6-8-18(29-2)9-7-17/h6-13,15,25,27-28H,14H2,1-5H3"	CC1C(C2=CC3=C(C=C2OC1NC4=CC=C(C=C4)OC)OCO3)C5=CC(=C(C(=C5)OC)OC)OC	MQCLPRQZBLMVHK-UHFFFAOYSA-N
DG55570	"2-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide"	381392	"NSC667932; MLS002702190; 2-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide; CHEMBL1699854; SCHEMBL19425459; NSC-667932; [[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea; NCI60_023675; SMR001565753"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667932	.	.	.	.	431.4	C21H25N3O7	123	612	2.6	31	3	8	6	"InChI=1S/C21H25N3O7/c1-10-18(11-5-16(26-2)19(28-4)17(6-11)27-3)12-7-14-15(30-9-29-14)8-13(12)31-20(10)23-24-21(22)25/h5-8,10,18,20,23H,9H2,1-4H3,(H3,22,24,25)"	CC1C(C2=CC3=C(C=C2OC1NNC(=O)N)OCO3)C4=CC(=C(C(=C4)OC)OC)OC	SERDXPHPXCGFFY-UHFFFAOYSA-N
DG55571	"2-(8-(2-Hydroxy-3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide"	381393	"NSC667933; MLS002702191; 2-(8-(2-Hydroxy-3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide; CHEMBL1724826; NSC-667933; NCI60_023676; SMR001565754; [[8-(2-hydroxy-3-methoxy-phenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667933	.	.	.	.	387.4	C19H21N3O6	124	566	2.3	28	4	7	4	"InChI=1S/C19H21N3O6/c1-9-16(10-4-3-5-12(25-2)17(10)23)11-6-14-15(27-8-26-14)7-13(11)28-18(9)21-22-19(20)24/h3-7,9,16,18,21,23H,8H2,1-2H3,(H3,20,22,24)"	CC1C(C2=CC3=C(C=C2OC1NNC(=O)N)OCO3)C4=C(C(=CC=C4)OC)O	JAONDLJNKHLARC-UHFFFAOYSA-N
DG55572	"2-(6-Anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-6-methoxyphenol"	381394	"NSC667934; 2-(6-Anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-6-methoxyphenol; CHEMBL2007083; NSC-667934; NCI60_023677; 2-(6-anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-6-methoxy-phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667934	.	.	.	.	405.4	C24H23NO5	69.2	570	5.4	30	2	6	4	"InChI=1S/C24H23NO5/c1-14-22(16-9-6-10-18(27-2)23(16)26)17-11-20-21(29-13-28-20)12-19(17)30-24(14)25-15-7-4-3-5-8-15/h3-12,14,22,24-26H,13H2,1-2H3"	CC1C(C2=CC3=C(C=C2OC1NC4=CC=CC=C4)OCO3)C5=C(C(=CC=C5)OC)O	BEOMZXKHEQYFOO-UHFFFAOYSA-N
DG55573	4-Chloro-2-((3-(5-chloro-2-hydroxybenzyl)-1-imidazolidinyl)methyl)phenol	381409	"NSC667954; 4-Chloro-2-((3-(5-chloro-2-hydroxybenzyl)-1-imidazolidinyl)methyl)phenol; CHEMBL1967247; NSC-667954; NCI60_023692; 1,3-Bis(2-hydroxy-5-chlorobenzyl)imidazolidine; 4,4'-Dichloro-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol; 4-chloro-2-[[3-[(5-chloro-2-hydroxy-phenyl)methyl]imidazolidin-1-yl]methyl]phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667954	.	.	.	.	353.2	C17H18Cl2N2O2	46.9	354	3.7	23	2	4	4	"InChI=1S/C17H18Cl2N2O2/c18-14-1-3-16(22)12(7-14)9-20-5-6-21(11-20)10-13-8-15(19)2-4-17(13)23/h1-4,7-8,22-23H,5-6,9-11H2"	C1CN(CN1CC2=C(C=CC(=C2)Cl)O)CC3=C(C=CC(=C3)Cl)O	WXTWKGUACFYGQQ-UHFFFAOYSA-N
DG55574	Benzyl ((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)amino)acetate	381414	NSC668002; Benzyl ((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)amino)acetate; NSC-668002; NCI60_023695; benzyl 2-[[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668002	.	.	.	.	364.4	C19H28N2O5	93.7	479	3.1	26	2	5	10	"InChI=1S/C19H28N2O5/c1-13(2)16(21-18(24)26-19(3,4)5)17(23)20-11-15(22)25-12-14-9-7-6-8-10-14/h6-10,13,16H,11-12H2,1-5H3,(H,20,23)(H,21,24)"	CC(C)C(C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C	OPIFEPSSCWNBEK-UHFFFAOYSA-N
DG55575	Benzyl 2-((((tert-butoxycarbonyl)amino)acetyl)amino)-3-methylbutanoate	381415	NSC668003; Benzyl 2-((((tert-butoxycarbonyl)amino)acetyl)amino)-3-methylbutanoate; NSC-668003; NCI60_023696; benzyl 2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-methyl-butanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668003	.	.	.	.	364.4	C19H28N2O5	93.7	479	3.1	26	2	5	10	"InChI=1S/C19H28N2O5/c1-13(2)16(17(23)25-12-14-9-7-6-8-10-14)21-15(22)11-20-18(24)26-19(3,4)5/h6-10,13,16H,11-12H2,1-5H3,(H,20,24)(H,21,22)"	CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)CNC(=O)OC(C)(C)C	RVGUTUVGUGJBBY-UHFFFAOYSA-N
DG55576	1-(2-(Acetylamino)-3-methylbutanoyl)proline	381417	NSC668005; 1-(2-(Acetylamino)-3-methylbutanoyl)proline; NSC-668005; NCI60_023698; 1-(2-acetamido-3-methyl-butanoyl)pyrrolidine-2-carboxylic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668005	.	.	.	.	256.3	C12H20N2O4	86.7	354	0.4	18	2	4	4	"InChI=1S/C12H20N2O4/c1-7(2)10(13-8(3)15)11(16)14-6-4-5-9(14)12(17)18/h7,9-10H,4-6H2,1-3H3,(H,13,15)(H,17,18)"	CC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C	ZPKYCVTWAHLHKY-UHFFFAOYSA-N
DG55577	3-Amino-4-((1-benzyl-2-((2-ethoxy-2-oxoethyl)amino)-2-oxoethyl)amino)-4-oxobutanoic acid	381430	NSC668018; 3-Amino-4-((1-benzyl-2-((2-ethoxy-2-oxoethyl)amino)-2-oxoethyl)amino)-4-oxobutanoic acid; NSC-668018; NCI60_023711; 3-amino-4-[[1-benzyl-2-[(2-ethoxy-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-4-oxo-butanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668018	.	.	.	.	365.4	C17H23N3O6	148	505	-2.8	26	4	7	11	"InChI=1S/C17H23N3O6/c1-2-26-15(23)10-19-17(25)13(8-11-6-4-3-5-7-11)20-16(24)12(18)9-14(21)22/h3-7,12-13H,2,8-10,18H2,1H3,(H,19,25)(H,20,24)(H,21,22)"	CCOC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N	LIHWOYDKVVINNO-UHFFFAOYSA-N
DG55578	"Dibenzyl 2,2-bis((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl)malonate"	381436	"NSC668024; CHEMBL1993509; ZINC5956994; Dibenzyl 2,2-bis((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl)malonate; NSC-668024; NCI60_023717; dibenzyl 2,2-bis[(1,3-dioxoisoindolin-2-yl)methyl]propanedioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668024	.	.	.	.	602.6	C35H26N2O8	127	1030	4.3	45	0	8	12	"InChI=1S/C35H26N2O8/c38-29-25-15-7-8-16-26(25)30(39)36(29)21-35(33(42)44-19-23-11-3-1-4-12-23,34(43)45-20-24-13-5-2-6-14-24)22-37-31(40)27-17-9-10-18-28(27)32(37)41/h1-18H,19-22H2"	C1=CC=C(C=C1)COC(=O)C(CN2C(=O)C3=CC=CC=C3C2=O)(CN4C(=O)C5=CC=CC=C5C4=O)C(=O)OCC6=CC=CC=C6	UCYDATXYVZPWOZ-UHFFFAOYSA-N
DG55579	"6-Isopropyl-2,2,9-trimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oic acid"	381445	"NSC668033; 6-Isopropyl-2,2,9-trimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oic acid; CHEMBL2002280; NSC-668033; NCI60_023725; 2-[2-[[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668033	.	.	.	.	345.39	C15H27N3O6	134	484	1	24	4	6	9	"InChI=1S/C15H27N3O6/c1-8(2)11(18-14(23)24-15(4,5)6)13(22)17-9(3)12(21)16-7-10(19)20/h8-9,11H,7H2,1-6H3,(H,16,21)(H,17,22)(H,18,23)(H,19,20)"	CC(C)C(C(=O)NC(C)C(=O)NCC(=O)O)NC(=O)OC(C)(C)C	DEDJFQPRIGXGEH-UHFFFAOYSA-N
DG55580	Boc-(Ala-Hmb)2-OH	381448	"Boc-(Ala-Hmb)2-OH; 144678-63-7; 3-methyl-2-[2-[[3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]butanoyl]amino]propanoyloxy]butanoic acid; 9,15-Diisopropyl-2,2,6,12-tetramethyl-4,7,10,13-tetraoxo-3,8,14-trioxa-5,11-diazahexadecan-16-oic acid; NSC668036; NSC 668036; NSC-668036; (2S)-N-[(1,1-Dimethylethoxy)carbonyl]-L-alanyl-(2S)-2-hydroxy-3-methylbutanoyl-L-alanyl-2-hydroxy-3-methyl-butanoicAcid; SCHEMBL1503151; CHEMBL1981925; NCI60_023728; Q33637737"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668036	.	.	.	.	460.5	C21H36N2O9	157	698	3.2	32	3	9	14	"InChI=1S/C21H36N2O9/c1-10(2)14(30-19(28)13(6)23-20(29)32-21(7,8)9)16(24)22-12(5)18(27)31-15(11(3)4)17(25)26/h10-15H,1-9H3,(H,22,24)(H,23,29)(H,25,26)"	CC(C)C(C(=O)NC(C)C(=O)OC(C(C)C)C(=O)O)OC(=O)C(C)NC(=O)OC(C)(C)C	IPICFSFUAKDZEI-UHFFFAOYSA-N
DG55581	Tert-butyl 2-(2-oxochroman-3-carbonyl)hydrazinecarboxylate	381451	"908230-99-9; NSC668039; N1-Boc 2-(2-Oxochroman)-3-carbohydrazide; tert-butyl 2-(2-oxochroman-3-carbonyl)hydrazinecarboxylate; tert-butyl N-[(2-oxo-3,4-dihydrochromene-3-carbonyl)amino]carbamate; tert-Butyl 2-((2-oxo-3,4-dihydro-2H-chromen-3-yl)carbonyl)hydrazinecarboxylate; CHEMBL1995981; DTXSID60327588; NSC-668039; NCI60_023731; FT-0663547; tert-butyl N-[(2-oxochromane-3-carbonyl)amino]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668039	.	.	.	.	306.31	C15H18N2O5	93.7	457	2.6	22	2	5	3	"InChI=1S/C15H18N2O5/c1-15(2,3)22-14(20)17-16-12(18)10-8-9-6-4-5-7-11(9)21-13(10)19/h4-7,10H,8H2,1-3H3,(H,16,18)(H,17,20)"	CC(C)(C)OC(=O)NNC(=O)C1CC2=CC=CC=C2OC1=O	LYDZBGHQFWXWID-UHFFFAOYSA-N
DG55582	3-Amino-4-(1-benzyl-2-methoxy-2-oxoethoxy)-4-oxobutanoic acid	381460	NSC668047; 3-Amino-4-(1-benzyl-2-methoxy-2-oxoethoxy)-4-oxobutanoic acid; CHEMBL1972252; NSC-668047; NCI60_023738; 3-amino-4-(1-benzyl-2-methoxy-2-oxo-ethoxy)-4-oxo-butanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668047	.	.	.	.	295.29	C14H17NO6	116	378	-1.6	21	2	7	9	"InChI=1S/C14H17NO6/c1-20-14(19)11(7-9-5-3-2-4-6-9)21-13(18)10(15)8-12(16)17/h2-6,10-11H,7-8,15H2,1H3,(H,16,17)"	COC(=O)C(CC1=CC=CC=C1)OC(=O)C(CC(=O)O)N	ATWMBLLZZHMUQX-UHFFFAOYSA-N
DG55583	Methyl 1-(acetylamino)-2-phenylethylcarbamate	381470	"NSC668057; Methyl 1-(acetylamino)-2-phenylethylcarbamate; CHEMBL1973288; NSC-668057; NCI60_023748; methyl N-(1-acetamido-2-phenyl-ethyl)carbamate; N-Acetyl-N'-(methoxycarbonyl)-1,1-diamino-2-phenylethane; 88425-20-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668057	.	.	.	.	236.27	C12H16N2O3	67.4	263	1.4	17	2	3	5	"InChI=1S/C12H16N2O3/c1-9(15)13-11(14-12(16)17-2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,13,15)(H,14,16)"	CC(=O)NC(CC1=CC=CC=C1)NC(=O)OC	FGCIOYAJNGEVDF-UHFFFAOYSA-N
DG55584	"1-(4-Methoxyphenyl)-1,3-dimethyl-3-(4-nitrophenyl)urea"	381472	"NSC668059; 1-(4-methoxyphenyl)-1,3-dimethyl-3-(4-nitrophenyl)urea; CHEMBL2002669; ZINC5957091; NSC-668059; NCI60_023750; N-(4-(Hydroxy(oxido)amino)phenyl)-N'-(4-methoxyphenyl)-N,N'-dimethylurea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668059	.	.	.	.	315.32	C16H17N3O4	78.6	410	2.7	23	0	4	3	"InChI=1S/C16H17N3O4/c1-17(12-4-6-14(7-5-12)19(21)22)16(20)18(2)13-8-10-15(23-3)11-9-13/h4-11H,1-3H3"	CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)N(C)C2=CC=C(C=C2)OC	GNMFFSPPCBGGDJ-UHFFFAOYSA-N
DG55585	H-Thr(1)-Unk-Leu-Pro-N(Me)Tyr(Me)-(1).HCl	381473	NSC668102; CHEMBL1999181; NSC-668102	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668102	.	.	.	.	852.5	C42H66ClN5O11	224	1450	.	59	5	12	8	"InChI=1S/C42H65N5O11.ClH/c1-11-24(6)35-32(48)21-33(49)58-37(23(4)5)36(50)25(7)38(51)44-29(19-22(2)3)40(53)47-18-12-13-30(47)41(54)46(9)31(20-27-14-16-28(56-10)17-15-27)42(55)57-26(8)34(43)39(52)45-35;/h14-17,22-26,29-32,34-35,37,48H,11-13,18-21,43H2,1-10H3,(H,44,51)(H,45,52);1H/t24-,25-,26+,29-,30-,31-,32-,34-,35+,37-;/m0./s1"	CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)N)C)CC3=CC=C(C=C3)OC)C)CC(C)C)C)C(C)C)O.Cl	XSFBBAUCKZLPJO-FIXNCQTHSA-N
DG55586	"6-chloro-2-(3,4-dimethoxyphenyl)-3-nitro-2H-chromene"	381495	"NSC668217; 6-chloro-2-(3,4-dimethoxyphenyl)-3-nitro-2H-chromene; CHEMBL1982295; NSC-668217; NCI60_023754; (6-Chloro-2-(3,4-dimethoxyphenyl)-2H-chromen-3-yl)(hydroxy)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668217	.	.	.	.	347.7	C17H14ClNO5	73.5	494	4.1	24	0	5	3	"InChI=1S/C17H14ClNO5/c1-22-15-5-3-10(9-16(15)23-2)17-13(19(20)21)8-11-7-12(18)4-6-14(11)24-17/h3-9,17H,1-2H3"	COC1=C(C=C(C=C1)C2C(=CC3=C(O2)C=CC(=C3)Cl)[N+](=O)[O-])OC	JVADFMNGKNKTEX-UHFFFAOYSA-N
DG55587	"1-((4-Methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methyl)dihydro-2,4(1H,3H)-pyrimidinedione"	381497	"NSC668253; 1-((4-Methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methyl)dihydro-2,4(1H,3H)-pyrimidinedione; CHEMBL1973783; NSC-668253; NCI60_023755; 1-[(4-methylene-5-oxo-2-phenyl-tetrahydrofuran-2-yl)methyl]hexahydropyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668253	.	.	.	.	300.31	C16H16N2O4	75.7	524	0.9	22	1	4	3	"InChI=1S/C16H16N2O4/c1-11-9-16(22-14(11)20,12-5-3-2-4-6-12)10-18-8-7-13(19)17-15(18)21/h2-6H,1,7-10H2,(H,17,19,21)"	C=C1CC(OC1=O)(CN2CCC(=O)NC2=O)C3=CC=CC=C3	JITKJNUOLGTHNO-UHFFFAOYSA-N
DG55588	"1-((2-(4-Chlorophenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione"	381498	"NSC668254; 1-((2-(4-Chlorophenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione; CHEMBL1965221; NSC-668254; NCI60_023756; 1-[[2-(4-chlorophenyl)-4-methylene-5-oxo-tetrahydrofuran-2-yl]methyl]pyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668254	.	.	.	.	332.74	C16H13ClN2O4	75.7	595	1.7	23	1	4	3	"InChI=1S/C16H13ClN2O4/c1-10-8-16(23-14(10)21,11-2-4-12(17)5-3-11)9-19-7-6-13(20)18-15(19)22/h2-7H,1,8-9H2,(H,18,20,22)"	C=C1CC(OC1=O)(CN2C=CC(=O)NC2=O)C3=CC=C(C=C3)Cl	DHBWPEHCYQTOKO-UHFFFAOYSA-N
DG55589	"1-((2-(4-Methoxyphenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione"	381499	"NSC668255; 1-((2-(4-Methoxyphenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione; CHEMBL1967334; NSC-668255; NCI60_023757; 1-[[2-(4-methoxyphenyl)-4-methylene-5-oxo-tetrahydrofuran-2-yl]methyl]pyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668255	.	.	.	.	328.32	C17H16N2O5	84.9	606	1.1	24	1	5	4	"InChI=1S/C17H16N2O5/c1-11-9-17(24-15(11)21,12-3-5-13(23-2)6-4-12)10-19-8-7-14(20)18-16(19)22/h3-8H,1,9-10H2,2H3,(H,18,20,22)"	COC1=CC=C(C=C1)C2(CC(=C)C(=O)O2)CN3C=CC(=O)NC3=O	MOBVDQIZDTYGNW-UHFFFAOYSA-N
DG55590	"1-((2-[1,1'-Biphenyl]-4-yl-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione"	381500	"NSC668256; CHEMBL82429; NSC-668256; 1-((2-[1,1'-Biphenyl]-4-yl-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione; NCI60_023758; 1-[[4-methylene-5-oxo-2-(4-phenylphenyl)tetrahydrofuran-2-yl]methyl]pyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668256	.	.	.	.	374.4	C22H18N2O4	75.7	701	2.7	28	1	4	4	"InChI=1S/C22H18N2O4/c1-15-13-22(28-20(15)26,14-24-12-11-19(25)23-21(24)27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-12H,1,13-14H2,(H,23,25,27)"	C=C1CC(OC1=O)(CN2C=CC(=O)NC2=O)C3=CC=C(C=C3)C4=CC=CC=C4	CHNLXVZWZIJDSA-UHFFFAOYSA-N
DG55591	"1-((2-(4-Chlorophenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione"	381501	"NSC668257; 1-((2-(4-Chlorophenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione; SCHEMBL8399569; CHEMBL1985308; NSC-668257; NCI60_023759; 1-[[2-(4-chlorophenyl)-4-methylene-5-oxo-tetrahydrofuran-2-yl]methyl]-5-methyl-pyrimidine-2,4-dione; 2,3H)-Pyrimidinedione, 1-[[2-(4-chlorophenyl)- tetrahydro-4-methylene-5-oxo-2-furanyl]methyl]-5-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668257	.	.	.	.	346.8	C17H15ClN2O4	75.7	637	2.1	24	1	4	3	"InChI=1S/C17H15ClN2O4/c1-10-7-17(24-15(10)22,12-3-5-13(18)6-4-12)9-20-8-11(2)14(21)19-16(20)23/h3-6,8H,1,7,9H2,2H3,(H,19,21,23)"	CC1=CN(C(=O)NC1=O)CC2(CC(=C)C(=O)O2)C3=CC=C(C=C3)Cl	KARAYLKTZYZMLC-UHFFFAOYSA-N
DG55592	"1-((2-[1,1'-Biphenyl]-4-yl-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione"	381502	"NSC668258; CHEMBL81598; SCHEMBL8401216; NSC-668258; 1-((2-[1,1'-Biphenyl]-4-yl-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione; NCI60_023760; 5-methyl-1-[[4-methylene-5-oxo-2-(4-phenylphenyl)tetrahydrofuran-2-yl]methyl]pyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668258	.	.	.	.	388.4	C23H20N2O4	75.7	744	3.1	29	1	4	4	"InChI=1S/C23H20N2O4/c1-15-12-23(29-21(15)27,14-25-13-16(2)20(26)24-22(25)28)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,13H,1,12,14H2,2H3,(H,24,26,28)"	CC1=CN(C(=O)NC1=O)CC2(CC(=C)C(=O)O2)C3=CC=C(C=C3)C4=CC=CC=C4	VJKKFWROBSMCSZ-UHFFFAOYSA-N
DG55593	"5-Bromo-1-((2-(4-bromophenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione"	381503	"NSC668259; 5-Bromo-1-((2-(4-bromophenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione; CHEMBL1982409; NSC-668259; NCI60_023761; 5-bromo-1-[[2-(4-bromophenyl)-4-methylene-5-oxo-tetrahydrofuran-2-yl]methyl]pyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668259	.	.	.	.	456.08	C16H12Br2N2O4	75.7	640	2.7	24	1	4	3	"InChI=1S/C16H12Br2N2O4/c1-9-6-16(24-14(9)22,10-2-4-11(17)5-3-10)8-20-7-12(18)13(21)19-15(20)23/h2-5,7H,1,6,8H2,(H,19,21,23)"	C=C1CC(OC1=O)(CN2C=C(C(=O)NC2=O)Br)C3=CC=C(C=C3)Br	HBPZUXCPAVPCAW-UHFFFAOYSA-N
DG55594	"5-Bromo-1-[[4-methylidene-5-oxo-2-(4-phenylphenyl)oxolan-2-yl]methyl]pyrimidine-2,4-dione"	381504	"NSC668260; MLS002702193; SMR001565756; CHEMBL309474; cid_381504; BDBM80079; NSC-668260; 5-bromo-1-[[4-methylidene-5-oxo-2-(4-phenylphenyl)oxolan-2-yl]methyl]pyrimidine-2,4-dione; 1-((2-[1,1'-Biphenyl]-4-yl-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-5-bromo-2,4(1H,3H)-pyrimidinedione; NCI60_023762; 2-(5-Bromouracil-1-yl)-4-methylene-5-oxo-2-(p-phenylphenyl)-2,3,4, 5-tetrhydrofuran; 2-(5-Bromouracil-1-yl)-4-methylene-5-oxo-2-(p-phenylphenyl)-2,4,5-tetrhydrofuran; 5-bromo-1-[[4-methylene-5-oxo-2-(4-phenylphenyl)-2-oxolanyl]methyl]pyrimidine-2,4-dione; 5-bromanyl-1-[[4-methylidene-5-oxidanylidene-2-(4-phenylphenyl)oxolan-2-yl]methyl]pyrimidine-2,4-dione; 5-bromo-1-[[4-methylene-5-oxo-2-(4-phenylphenyl)tetrahydrofuran-2-yl]methyl]pyrimidine-2,4-dione; 5-bromo-1-[[5-keto-4-methylene-2-(4-phenylphenyl)tetrahydrofuran-2-yl]methyl]pyrimidine-2,4-quinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668260	.	.	.	.	453.3	C22H17BrN2O4	75.7	750	3.6	29	1	4	4	"InChI=1S/C22H17BrN2O4/c1-14-11-22(29-20(14)27,13-25-12-18(23)19(26)24-21(25)28)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,12H,1,11,13H2,(H,24,26,28)"	C=C1CC(OC1=O)(CN2C=C(C(=O)NC2=O)Br)C3=CC=C(C=C3)C4=CC=CC=C4	PIBKIDIBQULXPL-UHFFFAOYSA-N
DG55595	7-((2-Methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one	381505	"NSC668261; 7-((2-Methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one; SCHEMBL8399563; CHEMBL1998002; NSC-668261; NCI60_023763; 7-[(2-Methyl-4-methylene-5-oxooxolane-2-yl)methoxy]coumarin; 7-[(2-methyl-4-methylene-5-oxo-tetrahydrofuran-2-yl)methoxy]chromen-2-one; 7-[(2,3,4,5-Tetrahydro-2-methyl-4-methylene-5-oxo-2-furanyl)methoxy]-2H-1-benzopyran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668261	.	.	.	.	286.28	C16H14O5	61.8	509	2.7	21	0	5	3	"InChI=1S/C16H14O5/c1-10-8-16(2,21-15(10)18)9-19-12-5-3-11-4-6-14(17)20-13(11)7-12/h3-7H,1,8-9H2,2H3"	CC1(CC(=C)C(=O)O1)COC2=CC3=C(C=C2)C=CC(=O)O3	GLEMYYHYOHRBLT-UHFFFAOYSA-N
DG55596	4-Methyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one	381506	NSC668262; 4-Methyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one; CHEMBL1975974; NSC-668262; NCI60_023764; 4-Methyl-7-[(2-methyl-4-methylene-5-oxooxolane-2-yl)methoxy]coumarin; 4-methyl-7-[(2-methyl-4-methylene-5-oxo-tetrahydrofuran-2-yl)methoxy]chromen-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668262	.	.	.	.	300.3	C17H16O5	61.8	549	2.6	22	0	5	3	"InChI=1S/C17H16O5/c1-10-6-15(18)21-14-7-12(4-5-13(10)14)20-9-17(3)8-11(2)16(19)22-17/h4-7H,2,8-9H2,1,3H3"	CC1=CC(=O)OC2=C1C=CC(=C2)OCC3(CC(=C)C(=O)O3)C	PSIRVXBTQZTNBX-UHFFFAOYSA-N
DG55597	3-Chloro-4-methyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one	381507	NSC668263; 3-Chloro-4-methyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one; CHEMBL1990159; NSC-668263; NCI60_023765; 3-Chloro-4-methyl-7-[(2-methyl-4-methylene-5-oxooxolane-2-yl)methoxy]coumarin; 3-chloro-4-methyl-7-[(2-methyl-4-methylene-5-oxo-tetrahydrofuran-2-yl)methoxy]chromen-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668263	.	.	.	.	334.7	C17H15ClO5	61.8	596	3.4	23	0	5	3	"InChI=1S/C17H15ClO5/c1-9-7-17(3,23-15(9)19)8-21-11-4-5-12-10(2)14(18)16(20)22-13(12)6-11/h4-6H,1,7-8H2,2-3H3"	CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3(CC(=C)C(=O)O3)C)Cl	DHEJXBLSCKRICZ-UHFFFAOYSA-N
DG55598	"3,4,8-Trimethyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one"	381508	"NSC668264; 3,4,8-Trimethyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one; CHEMBL1980223; NSC-668264; NCI60_023766; 3,4,8-trimethyl-7-[(2-methyl-4-methylene-5-oxo-tetrahydrofuran-2-yl)methoxy]chromen-2-one; 3,4,8-Trimethyl-7-[(2-methyl-4-methylene-5-oxooxolane-2-yl)methoxy]coumarin"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668264	.	.	.	.	328.4	C19H20O5	61.8	619	3.3	24	0	5	3	"InChI=1S/C19H20O5/c1-10-8-19(5,24-17(10)20)9-22-15-7-6-14-11(2)12(3)18(21)23-16(14)13(15)4/h6-7H,1,8-9H2,2-5H3"	CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3(CC(=C)C(=O)O3)C)C	ZTAQZLVRTRINNV-UHFFFAOYSA-N
DG55599	7-((4-Methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one	381509	"NSC668265; 7-((4-Methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one; SCHEMBL8401750; CHEMBL1973199; NSC-668265; NCI60_023767; 7-[(2-Phenyl-4-methylene-5-oxooxolane-2-yl)methoxy]coumarin; 7-[(4-methylene-5-oxo-2-phenyl-tetrahydrofuran-2-yl)methoxy]chromen-2-one; 7-[(2,3,4,5-Tetrahydro-4-methylene-5-oxo-2-Phenyl-2-furanyl)methoxy]-2H-1-benzopyran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668265	.	.	.	.	348.3	C21H16O5	61.8	618	3.8	26	0	5	4	"InChI=1S/C21H16O5/c1-14-12-21(26-20(14)23,16-5-3-2-4-6-16)13-24-17-9-7-15-8-10-19(22)25-18(15)11-17/h2-11H,1,12-13H2"	C=C1CC(OC1=O)(COC2=CC3=C(C=C2)C=CC(=O)O3)C4=CC=CC=C4	RDEUUWUFJSOERA-UHFFFAOYSA-N
DG55600	4-Methyl-7-((4-methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one	381510	NSC668266; 4-Methyl-7-((4-methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one; CHEMBL1988980; NSC-668266; NCI60_023768; 4-Methyl-7-[(2-phenyl-4-methylene-5-oxooxolane-2-yl)methoxy]coumarin; 4-methyl-7-[(4-methylene-5-oxo-2-phenyl-tetrahydrofuran-2-yl)methoxy]chromen-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668266	.	.	.	.	362.4	C22H18O5	61.8	660	3.7	27	0	5	4	"InChI=1S/C22H18O5/c1-14-10-20(23)26-19-11-17(8-9-18(14)19)25-13-22(12-15(2)21(24)27-22)16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3"	CC1=CC(=O)OC2=C1C=CC(=C2)OCC3(CC(=C)C(=O)O3)C4=CC=CC=C4	KJPYCEDFWLXVBM-UHFFFAOYSA-N
DG55601	3-Chloro-4-methyl-7-((4-methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one	381511	"NSC668267; MLS002702194; SCHEMBL8397914; CHEMBL1700729; NSC-668267; 2H-1-Benzopyran-2-one, 3-chloro-7-[(tetrahydro-4-methylene- 5-oxo-2-phenyl-2-furanyl)methoxy]-4-methyl-; 3-Chloro-4-methyl-7-((4-methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one; NCI60_023769; SMR001565757; 3-Chloro-4-methyl-7-[(2-phenyl-4-methylene-5-oxooxolane-2-yl)methoxy]coumarin; 3-chloro-4-methyl-7-[(4-methylene-5-oxo-2-phenyl-tetrahydrofuran-2-yl)methoxy]chromen-2-one; 3-Chloro-7-[(2,3,4,5-tetrahydro-3-methylene-2-oxo-5-phenyl-5-furanyl) methoxy]-4-methyl-2H-1-benzopyran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668267	.	.	.	.	396.8	C22H17ClO5	61.8	708	4.5	28	0	5	4	"InChI=1S/C22H17ClO5/c1-13-11-22(28-20(13)24,15-6-4-3-5-7-15)12-26-16-8-9-17-14(2)19(23)21(25)27-18(17)10-16/h3-10H,1,11-12H2,2H3"	CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3(CC(=C)C(=O)O3)C4=CC=CC=C4)Cl	YWRGWWAGFKXEDU-UHFFFAOYSA-N
DG55602	"3,4,8-Trimethyl-7-((4-methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one"	381512	"NSC668268; 3,4,8-Trimethyl-7-((4-methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one; CHEMBL1979466; NSC-668268; NCI60_023770; 3,4,8-Trimethyl-7-[(2-phenyl-4-methylene-5-oxooxolane-2-yl)methoxy]coumarin; 3,4,8-trimethyl-7-[(4-methylene-5-oxo-2-phenyl-tetrahydrofuran-2-yl)methoxy]chromen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668268	.	.	.	.	390.4	C24H22O5	61.8	732	4.4	29	0	5	4	"InChI=1S/C24H22O5/c1-14-12-24(29-22(14)25,18-8-6-5-7-9-18)13-27-20-11-10-19-15(2)16(3)23(26)28-21(19)17(20)4/h5-11H,1,12-13H2,2-4H3"	CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3(CC(=C)C(=O)O3)C4=CC=CC=C4)C	BISHOPKZVHUCGR-UHFFFAOYSA-N
DG55603	4-((2-Methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one	381513	"NSC668269; 4-((2-Methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one; SCHEMBL8870883; CHEMBL1982016; NSC-668269; NCI60_023771; 4-[(2-methyl-4-methylene-5-oxo-tetrahydrofuran-2-yl)methoxy]chromen-2-one; 4-[[(2-Methyl-4-methylene-5-oxotetrahydrofuran)-2-yl]methoxy]coumarin; 4-[(2,3,4,5-Tetrahydro-2-methyl-4-methylene-5-oxo-2-furanyl)methoxy]-2H-1-benzopyran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668269	.	.	.	.	286.28	C16H14O5	61.8	521	2.4	21	0	5	3	"InChI=1S/C16H14O5/c1-10-8-16(2,21-15(10)18)9-19-13-7-14(17)20-12-6-4-3-5-11(12)13/h3-7H,1,8-9H2,2H3"	CC1(CC(=C)C(=O)O1)COC2=CC(=O)OC3=CC=CC=C32	KKIQVSBZFBKASX-UHFFFAOYSA-N
DG55604	4-((4-Methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one	381514	"NSC668270; MLS002702195; SCHEMBL8401185; CHEMBL1710646; NSC-668270; 2H-1-Benzopyran-2-one, 4-[(tetrahydro-4-methylene- 5-oxo-2-phenyl-2-furanyl)methoxy]-; 4-((4-Methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one; NCI60_023772; SMR001565758; 4-[(4-methylene-5-oxo-2-phenyl-tetrahydrofuran-2-yl)methoxy]chromen-2-one; 4-[[(2-Phenyl-4-methylene-5-oxotetrahydrofuran)-2-yl]methoxy]coumarin; 4-[(2,3,4,5-Tetrahydro-4-methylene-5-oxo-2-phenyl-2-furanyl)methoxy]-2H-1-benzopyran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668270	.	.	.	.	348.3	C21H16O5	61.8	630	3.5	26	0	5	4	"InChI=1S/C21H16O5/c1-14-12-21(26-20(14)23,15-7-3-2-4-8-15)13-24-18-11-19(22)25-17-10-6-5-9-16(17)18/h2-11H,1,12-13H2"	C=C1CC(OC1=O)(COC2=CC(=O)OC3=CC=CC=C32)C4=CC=CC=C4	ATSWSVKABBOUBT-UHFFFAOYSA-N
DG55605	"2-(3-(4-(4-Methylene-5-oxotetrahydro-2-furanyl)phenoxy)propyl)-1H-isoindole-1,3(2H)-dione"	381520	"NSC668276; 2-(3-(4-(4-Methylene-5-oxotetrahydro-2-furanyl)phenoxy)propyl)-1H-isoindole-1,3(2H)-dione; SCHEMBL8401856; CHEMBL1996034; NSC-668276; NCI60_023778; 2-[3-[4-(4-methylene-5-oxo-tetrahydrofuran-2-yl)phenoxy]propyl]isoindoline-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668276	.	.	.	.	377.4	C22H19NO5	72.9	627	3.3	28	0	5	6	"InChI=1S/C22H19NO5/c1-14-13-19(28-22(14)26)15-7-9-16(10-8-15)27-12-4-11-23-20(24)17-5-2-3-6-18(17)21(23)25/h2-3,5-10,19H,1,4,11-13H2"	C=C1CC(OC1=O)C2=CC=C(C=C2)OCCCN3C(=O)C4=CC=CC=C4C3=O	OSODQJGOYAOQOV-UHFFFAOYSA-N
DG55606	"2-(3-(2-Methoxy-4-(4-methylene-5-oxotetrahydro-2-furanyl)phenoxy)propyl)-1H-isoindole-1,3(2H)-dione"	381521	"NSC668277; 2-(3-(2-Methoxy-4-(4-methylene-5-oxotetrahydro-2-furanyl)phenoxy)propyl)-1H-isoindole-1,3(2H)-dione; CHEMBL1970345; NSC-668277; NCI60_023779; 2-[3-[2-methoxy-4-(4-methylene-5-oxo-tetrahydrofuran-2-yl)phenoxy]propyl]isoindoline-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668277	.	.	.	.	407.4	C23H21NO6	82.1	682	3.3	30	0	6	7	"InChI=1S/C23H21NO6/c1-14-12-19(30-23(14)27)15-8-9-18(20(13-15)28-2)29-11-5-10-24-21(25)16-6-3-4-7-17(16)22(24)26/h3-4,6-9,13,19H,1,5,10-12H2,2H3"	COC1=C(C=CC(=C1)C2CC(=C)C(=O)O2)OCCCN3C(=O)C4=CC=CC=C4C3=O	VJRIEQZANIWQHI-UHFFFAOYSA-N
DG55607	"1-(2-(Hydroxymethyl)-1,3-dioxolan-4-yl)cytosine"	381525	"Troxacitabine; beta-L-Dioxolane-cytidine; 145918-75-8; 1-(2-(Hydroxymethyl)-1,3-dioxolan-4-yl)cytosine; NSC668281; CHEMBL300623; SCHEMBL1026148; 141196-85-2; 4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one; BCP27732; AKOS032947219; NSC-668281; PB17193; NCI60_023783; FT-0771967; A846759; (-)-.beta.-L-1-[(2-Hydroxymethyl)-1,3-dioxolan-4yl]cytosine; 4-Amino-1-(2-hydroxymethyl-[1,3]dioxolan-4-yl)-1H-pyrimidin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668281	.	.	.	.	213.19	C8H11N3O4	97.4	328	-1.7	15	2	4	2	"InChI=1S/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)"	C1C(OC(O1)CO)N2C=CC(=NC2=O)N	RXRGZNYSEHTMHC-UHFFFAOYSA-N
DG55608	"4a',8'-Dichloro-5',6',7',8'-tetrahydro-3'H-spiro[cyclohexane-1,2'-quinazolin]-4'(4a'H)-one"	381562	"NSC668351; 4a',8'-Dichloro-5',6',7',8'-tetrahydro-3'H-spiro[cyclohexane-1,2'-quinazolin]-4'(4a'H)-one; CHEMBL1988826; NSC-668351; 4a,8-dichlorospiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one; NCI60_023816"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668351	.	.	.	.	289.2	C13H18Cl2N2O	41.5	404	2.9	18	1	2	0	"InChI=1S/C13H18Cl2N2O/c14-9-5-4-8-13(15)10(9)16-12(17-11(13)18)6-2-1-3-7-12/h9H,1-8H2,(H,17,18)"	C1CCC2(CC1)NC(=O)C3(CCCC(C3=N2)Cl)Cl	ASJBUOKNTTYTBM-UHFFFAOYSA-N
DG55609	"5-Chloro-2-methyl-4-oxo-1,5-diazaspiro[5.5]undec-1-en-3-yl thiocyanate"	381563	"NSC668352; 5-Chloro-2-methyl-4-oxo-1,5-diazaspiro[5.5]undec-1-en-3-yl thiocyanate; CHEMBL1967781; NSC-668352; (11-chloro-8-methyl-10-oxo-7,11-diazaspiro[5.5]undec-7-en-9-yl) thiocyanate; NCI60_023817"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668352	.	.	.	.	271.77	C11H14ClN3OS	81.8	408	2.5	17	0	4	1	"InChI=1S/C11H14ClN3OS/c1-8-9(17-7-13)10(16)15(12)11(14-8)5-3-2-4-6-11/h9H,2-6H2,1H3"	CC1=NC2(CCCCC2)N(C(=O)C1SC#N)Cl	ZLRSAEBHZRFXLB-UHFFFAOYSA-N
DG55610	2-Triphenylphosphoranylidene-1-[2-[2-(2-triphenylphosphoranylideneacetyl)phenyl]phenyl]ethanone	381571	"MLS002702210; NSC668360; SMR001565773; cid_381571; CHEMBL1730502; BDBM83458; ZINC95548594; NSC-668360; NCI60_023824; Ethanone,1'-[(1,1'-biphenyl)-2,2'-diyl] bis[2-(triphenylphosphoranylidene)-; 1-[2-[2-(1-oxo-2-triphenylphosphoranylideneethyl)phenyl]phenyl]-2-triphenylphosphoranylideneethanone; 2-(triphenyl-$l^{5}-phosphanylidene)-1-[2-[2-[2-(triphenyl-$l^{5}-phosphanylidene)acetyl]phenyl]phenyl]ethanone; 2-(triphenyl--phosphanylidene)-1-[2-[2-[2-(triphenyl--phosphanylidene)acetyl]phenyl]phenyl]ethanone; 2-(triphenyl--phosphanylidene)-1-[2-[2-[2-(triphenyl--phosphanylidene)ethanoyl]phenyl]phenyl]ethanone; 2-(Triphenylphosphoranylidene)-1-(2'-((triphenylphosphoranylidene)acetyl)[1,1'-biphenyl]-2-yl)ethanone; 2-triphenylphosphoranylidene-1-[2-[2-(2-triphenylphosphoranylideneacetyl)phenyl]phenyl]ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668360	.	.	.	.	758.8	C52H40O2P2	34.1	1150	9.6	56	0	2	11	"InChI=1S/C52H40O2P2/c53-51(39-55(41-23-7-1-8-24-41,42-25-9-2-10-26-42)43-27-11-3-12-28-43)49-37-21-19-35-47(49)48-36-20-22-38-50(48)52(54)40-56(44-29-13-4-14-30-44,45-31-15-5-16-32-45)46-33-17-6-18-34-46/h1-40H"	C1=CC=C(C=C1)P(=CC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)C=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8	HMLIJGSRQAHTFN-UHFFFAOYSA-N
DG55611	"3,3-Diiodo-2-phenyl-2-propenal"	381579	"3,3-diiodo-2-phenyl-2-propenal; NSC668370; CHEMBL1989811; 3,3-Diiodo-2-phenylacrylaldehyde; 3,3-diiodo-2-phenyl-prop-2-enal; NSC-668370; NCI60_023831"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668370	.	.	.	.	383.95	C9H6I2O	17.1	189	3.4	12	0	1	2	InChI=1S/C9H6I2O/c10-9(11)8(6-12)7-4-2-1-3-5-7/h1-6H	C1=CC=C(C=C1)C(=C(I)I)C=O	JLVBAYOFAMFOCP-UHFFFAOYSA-N
DG55612	"3,3-Diiodo-1,2-diphenyl-2-propen-1-one"	381580	"NSC668371; 3,3-diiodo-1,2-diphenyl-2-propen-1-one; 3,2-diphenyl-2-propen-1-one; CHEMBL1972459; NSC-668371; NCI60_023832; 3,3-diiodo-1,2-diphenyl-prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668371	.	.	.	.	460.05	C15H10I2O	17.1	319	5.3	18	0	1	3	InChI=1S/C15H10I2O/c16-15(17)13(11-7-3-1-4-8-11)14(18)12-9-5-2-6-10-12/h1-10H	C1=CC=C(C=C1)C(=C(I)I)C(=O)C2=CC=CC=C2	NUSWGESYYHHTQX-UHFFFAOYSA-N
DG55613	"N-Isobutyl-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)acetamide"	381583	"NSC668374; CHEMBL1999972; N-Isobutyl-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)acetamide; NSC-668374; NCI60_023834; N-isobutyl-2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetamide; N-Isobutyl-2-[(1,2,3,4-tetrahydro-9H-carbazol)-9-yl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668374	.	.	.	.	284.4	C18H24N2O	34	368	4	21	1	1	4	"InChI=1S/C18H24N2O/c1-13(2)11-19-18(21)12-20-16-9-5-3-7-14(16)15-8-4-6-10-17(15)20/h3,5,7,9,13H,4,6,8,10-12H2,1-2H3,(H,19,21)"	CC(C)CNC(=O)CN1C2=C(CCCC2)C3=CC=CC=C31	CPZQLIRXJJZHRV-UHFFFAOYSA-N
DG55614	"N-cyclohexyl-2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetamide"	381585	"NSC668376; CHEMBL1983872; N-cyclohexyl-2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetamide; N-Cyclohexyl-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)acetamide; NSC-668376; NCI60_023836; N-Cyclohexyl-2-[(1,2,3,4-tetrahydro-9H-carbazol)-9-yl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668376	.	.	.	.	310.4	C20H26N2O	34	418	4.5	23	1	1	3	"InChI=1S/C20H26N2O/c23-20(21-15-8-2-1-3-9-15)14-22-18-12-6-4-10-16(18)17-11-5-7-13-19(17)22/h4,6,10,12,15H,1-3,5,7-9,11,13-14H2,(H,21,23)"	C1CCC(CC1)NC(=O)CN2C3=C(CCCC3)C4=CC=CC=C42	KHOHHFHWVKMROD-UHFFFAOYSA-N
DG55615	Nitrophenyl-azatoxin	381589	nitrophenyl-azatoxin; NSC668380; CHEMBL2003568; NSC-668380; NCI60_023840	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668380	.	.	.	.	516.5	C27H24N4O7	142	866	4	38	3	8	5	"InChI=1S/C27H24N4O7/c1-36-20-11-14(12-21(37-2)26(20)32)25-24-22(17-5-3-4-6-18(17)29-24)23(19-13-38-27(33)30(19)25)28-15-7-9-16(10-8-15)31(34)35/h3-12,19,23,25,28-29,32H,13H2,1-2H3/t19-,23 ,25-/m1/s1"	COC1=CC(=CC(=C1O)OC)[C@@H]2C3=C(C([C@@H]4N2C(=O)OC4)NC5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6N3	MZISFSFXJZIGGY-AXTURWKHSA-N
DG55616	Trihydroxy-azatoxin	381591	trihydroxy-azatoxin; NSC668382; CHEMBL1998951; NSC-668382; NCI60_023842	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668382	.	.	.	.	352.3	C19H16N2O5	106	562	2.3	26	4	5	1	"InChI=1S/C19H16N2O5/c22-14-5-9(6-15(23)18(14)24)17-16-12(7-10-8-26-19(25)21(10)17)11-3-1-2-4-13(11)20-16/h1-6,10,17,20,22-24H,7-8H2/t10-,17+/m0/s1"	C1[C@H]2COC(=O)N2[C@@H](C3=C1C4=CC=CC=C4N3)C5=CC(=C(C(=C5)O)O)O	UOBZFFJDXWHWIK-DYZYQPBXSA-N
DG55617	"2,3-(Methylenedioxy)-8,9-dimethoxy-N-[2-(dimethylamino)ethyl]benzo[c]phenanthridin-6-amine"	381592	"NSC668383; CHEMBL121582; NSC-668383; NCI60_023843; 2,3-(Methylenedioxy)-8,9-dimethoxy-N-[2-(dimethylamino)ethyl]benzo[c]phenanthridin-6-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668383	.	.	.	.	419.5	C24H25N3O4	65.099	607	4.8	31	1	7	6	"InChI=1S/C24H25N3O4/c1-27(2)8-7-25-24-18-12-20(29-4)19(28-3)11-17(18)15-6-5-14-9-21-22(31-13-30-21)10-16(14)23(15)26-24/h5-6,9-12H,7-8,13H2,1-4H3,(H,25,26)"	CN(C)CCNC1=NC2=C(C=CC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C51)OC)OC	YHXBBAZZCMYSLT-UHFFFAOYSA-N
DG55618	"6-[2-(3,5-Dibromo-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione"	381593	NSC668393; CHEMBL1992272; SCHEMBL14586388; NSC-668393; NCI60_023844	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668393	.	.	.	.	452.1	C17H12Br2N2O3	79.3	528	3.9	24	2	5	4	"InChI=1S/C17H12Br2N2O3/c18-11-6-9(7-12(19)17(11)24)3-5-20-13-8-14(22)15-10(16(13)23)2-1-4-21-15/h1-2,4,6-8,20,24H,3,5H2"	C1=CC2=C(C(=O)C=C(C2=O)NCCC3=CC(=C(C(=C3)Br)O)Br)N=C1	CKCWQQNKRKNINM-UHFFFAOYSA-N
DG55619	"7-((2-(3,5-Dibromo-4-hydroxyphenyl)ethyl)amino)-5,8-quinolinedione"	381594	"NSC-668394; NSC668394; 382605-72-3; 7-((2-(3,5-dibromo-4-hydroxyphenyl)ethyl)amino)-5,8-quinolinedione; MLS002702211; NCIStruc1_001708; NCIStruc2_001928; CHEMBL470157; SCHEMBL2599172; CHEMBL1736254; CCG-37512; NCGC00014973; NCI668394; ZINC100133395; NCGC00014973-02; NCGC00098073-01; NCI60_023845; HY-115492; CS-0087168; 5, 7-[[2-(3,5-dibromo-4-hydroxyphenyl)ethyl]amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668394	.	.	.	.	452.1	C17H12Br2N2O3	79.3	528	3.9	24	2	5	4	"InChI=1S/C17H12Br2N2O3/c18-11-6-9(7-12(19)16(11)23)3-5-20-13-8-14(22)10-2-1-4-21-15(10)17(13)24/h1-2,4,6-8,20,23H,3,5H2"	C1=CC2=C(C(=O)C(=CC2=O)NCCC3=CC(=C(C(=C3)Br)O)Br)N=C1	OHPHDPYJEHZGDE-UHFFFAOYSA-N
DG55620	NSC668404	381595	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-(furan-3-carbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC668404; CHEMBL430599; NSC-668404; NCI60_023846"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668404	.	.	.	.	843.9	C45H49NO15	234	1780	1.6	61	4	15	14	"InChI=1S/C45H49NO15/c1-23-29(59-41(54)34(50)33(26-13-9-7-10-14-26)46-39(52)28-17-18-56-21-28)20-45(55)38(60-40(53)27-15-11-8-12-16-27)36-43(6,30(49)19-31-44(36,22-57-31)61-25(3)48)37(51)35(58-24(2)47)32(23)42(45,4)5/h7-18,21,29-31,33-36,38,49-50,55H,19-20,22H2,1-6H3,(H,46,52)/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=COC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	JKNUSPYZNOLBAF-MHHARFCSSA-N
DG55621	"N4,N8-diphenylthieno[2,3-f]benzothiophene-4,8-diimine"	381596	"NSC668405; Neuro_000404; CHEMBL2001097; NSC-668405; NCI60_023847; N4,N8-diphenylthieno[2,3-f]benzothiophene-4,8-diimine; N,N'-Diphenylbenzo[1,2-b:4,5-b']dithiophene-4,8-diimine; N,N'-Thieno[2,3-f][1]benzothiene-4,8-diylidenedianiline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668405	.	.	.	.	370.5	C22H14N2S2	81.2	511	6.6	26	0	4	2	InChI=1S/C22H14N2S2/c1-3-7-15(8-4-1)23-19-17-11-13-26-22(17)20(18-12-14-25-21(18)19)24-16-9-5-2-6-10-16/h1-14H	C1=CC=C(C=C1)N=C2C3=C(C(=NC4=CC=CC=C4)C5=C2SC=C5)SC=C3	SWVMSZWCAUYRDW-UHFFFAOYSA-N
DG55622	6-Chloro-3-(6-chloro-4-oxo-2-phenyl-chromen-3-yl)-2-phenyl-chromen-4-one	381597	"NSC668406; CHEMBL1971956; [3,3'-Bi-4H-1-benzopyran]-4,4'-dione, 6,6'-dichloro-2,2'-diphenyl-; NSC-668406; NCI60_023848; 6-chloro-3-(6-chloro-4-oxo-2-phenyl-chromen-3-yl)-2-phenyl-chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668406	.	.	.	.	511.3	C30H16Cl2O4	52.6	867	7.3	36	0	4	3	InChI=1S/C30H16Cl2O4/c31-19-11-13-23-21(15-19)27(33)25(29(35-23)17-7-3-1-4-8-17)26-28(34)22-16-20(32)12-14-24(22)36-30(26)18-9-5-2-6-10-18/h1-16H	C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)C4=C(OC5=C(C4=O)C=C(C=C5)Cl)C6=CC=CC=C6	AGUQXNILTYKIAN-UHFFFAOYSA-N
DG55623	6-Chloro-8-(6-chloro-4-oxo-2-phenyl-chromen-8-yl)-2-phenyl-chromen-4-one	381599	"NSC668408; CHEMBL1992864; [8,8'-Bi-4H-1-benzopyran]-4,4'-dione, 6,6'-dichloro-2,2'-diphenyl-; NSC-668408; NCI60_023850; 6-chloro-8-(6-chloro-4-oxo-2-phenyl-chromen-8-yl)-2-phenyl-chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668408	.	.	.	.	511.3	C30H16Cl2O4	52.6	842	7.3	36	0	4	3	InChI=1S/C30H16Cl2O4/c31-19-11-21(29-23(13-19)25(33)15-27(35-29)17-7-3-1-4-8-17)22-12-20(32)14-24-26(34)16-28(36-30(22)24)18-9-5-2-6-10-18/h1-16H	C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=CC(=C3)Cl)C4=CC(=CC5=C4OC(=CC5=O)C6=CC=CC=C6)Cl	BWIPFERAULCFAX-UHFFFAOYSA-N
DG55624	"4-Methyl-2-(1,3-thiazol-4-yl)phenol"	381600	"NSC668409; 4-Methyl-2-(1,3-thiazol-4-yl)phenol; CHEMBL1968751; 4-methyl-2-thiazol-4-yl-phenol; ZINC1642933; NSC-668409; NCI60_023851"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668409	.	.	.	.	191.25	C10H9NOS	61.4	176	2.6	13	1	3	1	"InChI=1S/C10H9NOS/c1-7-2-3-10(12)8(4-7)9-5-13-6-11-9/h2-6,12H,1H3"	CC1=CC(=C(C=C1)O)C2=CSC=N2	BSAWZSKGMDFKHU-UHFFFAOYSA-N
DG55625	"2-Bromo-4-methyl-6-(1,3-thiazol-4-yl)phenol"	381601	"NSC668410; 2-Bromo-4-methyl-6-(1,3-thiazol-4-yl)phenol; CHEMBL2006489; NSC-668410; 2-bromo-4-methyl-6-thiazol-4-yl-phenol; NCI60_023852"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668410	.	.	.	.	270.15	C10H8BrNOS	61.4	205	3.3	14	1	3	1	"InChI=1S/C10H8BrNOS/c1-6-2-7(9-4-14-5-12-9)10(13)8(11)3-6/h2-5,13H,1H3"	CC1=CC(=C(C(=C1)Br)O)C2=CSC=N2	VIAQIVXAXARHFM-UHFFFAOYSA-N
DG55626	4-Methyl-2-nitro-6-thiazol-4-yl-phenol	381602	"NSC668411; CHEMBL1970701; ZINC73281074; NSC-668411; 4-methyl-2-nitro-6-thiazol-4-yl-phenol; NCI60_023853; 2-(Hydroxy(oxido)amino)-4-methyl-6-(1,3-thiazol-4-yl)phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668411	.	.	.	.	236.25	C10H8N2O3S	107	271	3	16	1	5	1	"InChI=1S/C10H8N2O3S/c1-6-2-7(8-4-16-5-11-8)10(13)9(3-6)12(14)15/h2-5,13H,1H3"	CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C2=CSC=N2	XQFUGTVAWCRUHU-UHFFFAOYSA-N
DG55627	"4(1H)-Quinolinone, 6-(1-pyrrolidinyl)-2-[3-(trifluoromethoxy)phenyl]-"	381608	"CHEMBL114849; Neuro_000399; BDBM50470028; NSC668421; 4(1H)-Quinolinone, 6-(1-pyrrolidinyl)- 2-[3-(trifluoromethoxy)phenyl]-; NSC-668421; NCI60_023861; 6-(Pyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]quinolin-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668421	.	.	.	.	374.4	C20H17F3N2O2	41.6	586	5	27	1	7	3	"InChI=1S/C20H17F3N2O2/c21-20(22,23)27-15-5-3-4-13(10-15)18-12-19(26)16-11-14(6-7-17(16)24-18)25-8-1-2-9-25/h3-7,10-12H,1-2,8-9H2,(H,24,26)"	C1CCN(C1)C2=CC3=C(C=C2)NC(=CC3=O)C4=CC(=CC=C4)OC(F)(F)F	IXOPCLABJYZIEL-UHFFFAOYSA-N
DG55628	NSC668426	381613	Diethyl 2-((2-((2-((tert-butoxycarbonyl)amino)-3-(4-(hydroxy(oxido)amino)phenyl)propanoyl)amino)-5-ethoxy-5-oxopentanoyl)amino)pentanedioate; NSC668426; CHEMBL1979126; NSC-668426; NCI60_023866; Diethyl 2-((2-((2-((tert-butoxycarbonyl)amino)-3-(4-(hydroxy(oxido)amino)phenyl)propanoyl)amino)-5-ethoxy-5-oxopentanoyl)amino)pentanedioate; diethyl 2-[[2-[[2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]pentanedioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668426	.	.	.	.	652.7	C30H44N4O12	221	1050	2.9	46	3	12	22	"InChI=1S/C30H44N4O12/c1-7-43-24(35)16-14-21(26(37)32-22(28(39)45-9-3)15-17-25(36)44-8-2)31-27(38)23(33-29(40)46-30(4,5)6)18-19-10-12-20(13-11-19)34(41)42/h10-13,21-23H,7-9,14-18H2,1-6H3,(H,31,38)(H,32,37)(H,33,40)"	CCOC(=O)CCC(C(=O)NC(CCC(=O)OCC)C(=O)OCC)NC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C	XYQVBELJIOSBRO-UHFFFAOYSA-N
DG55629	NSC668434	381617	"methyl 2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate; NSC668434; CHEMBL1982128; NSC-668434; NCI60_023874; methyl 2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate; Methyl 6,9,12,15-tetrakis(1H-indol-3-ylmethyl)-2,2-dimethyl-4,7,10,13-tetraoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-oate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668434	.	.	.	.	877	C50H52N8O7	215	1660	7.4	65	8	7	19	"InChI=1S/C50H52N8O7/c1-50(2,3)65-49(63)58-43(23-31-27-53-39-19-11-7-15-35(31)39)47(61)56-41(21-29-25-51-37-17-9-5-13-33(29)37)45(59)55-42(22-30-26-52-38-18-10-6-14-34(30)38)46(60)57-44(48(62)64-4)24-32-28-54-40-20-12-8-16-36(32)40/h5-20,25-28,41-44,51-54H,21-24H2,1-4H3,(H,55,59)(H,56,61)(H,57,60)(H,58,63)"	CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)OC	WSWCFISTZZYDRQ-UHFFFAOYSA-N
DG55630	NSC668448	381625	"Methyl 6-[[2-(benzyloxycarbonylamino)acetyl]amino]-2-[[2-(benzyloxycarbonylamino)-6-[[2-(benzyloxycarbonylamino)acetyl]amino]hexanoyl]amino]hexanoate; NSC668448; CHEMBL1984160; NSC-668448; NCI60_023884; Methyl 12-(((benzyloxy)carbonyl)amino)-15-(4-(((((benzyloxy)carbonyl)amino)acetyl)amino)butyl)-3,6,13-trioxo-1-phenyl-2-oxa-4,7,14-triazahexadecan-16-oate; methyl 6-[[2-(benzyloxycarbonylamino)acetyl]amino]-2-[[2-(benzyloxycarbonylamino)-6-[[2-(benzyloxycarbonylamino)acetyl]amino]hexanoyl]amino]hexanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668448	.	.	.	.	804.9	C41H52N6O11	229	1270	4	58	6	11	28	"InChI=1S/C41H52N6O11/c1-55-38(51)34(22-12-14-24-43-36(49)26-45-40(53)57-28-31-17-7-3-8-18-31)46-37(50)33(47-41(54)58-29-32-19-9-4-10-20-32)21-11-13-23-42-35(48)25-44-39(52)56-27-30-15-5-2-6-16-30/h2-10,15-20,33-34H,11-14,21-29H2,1H3,(H,42,48)(H,43,49)(H,44,52)(H,45,53)(H,46,50)(H,47,54)"	COC(=O)C(CCCCNC(=O)CNC(=O)OCC1=CC=CC=C1)NC(=O)C(CCCCNC(=O)CNC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3	QFIZAUYTFAEGQO-UHFFFAOYSA-N
DG55631	(1-Tert-Butoxycarbonylamino-ethyl)-carbamic acid benzyl ester	381632	NSC668454; (1-Tert-Butoxycarbonylamino-ethyl)-carbamic acid benzyl ester; CHEMBL1988560; NSC-668454; NCI60_023889; tert-butyl N-[1-(benzyloxycarbonylamino)ethyl]carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668454	.	.	.	.	294.35	C15H22N2O4	76.7	346	2.7	21	2	4	7	"InChI=1S/C15H22N2O4/c1-11(17-14(19)21-15(2,3)4)16-13(18)20-10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,18)(H,17,19)"	CC(NC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C	CMCNCUNSYCAMND-UHFFFAOYSA-N
DG55632	"Prolinamide, N-[(1,1-dimethylethoxy)carbonyl]histidyl-"	381635	"NSC668457; CHEMBL1982412; Prolinamide, N-[(1,1-dimethylethoxy)carbonyl]histidyl-; NSC-668457; NCI60_023892; FT-0689711; tert-butyl N-[2-(2-carbamoylpyrrolidin-1-yl)-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668457	.	.	.	.	351.4	C16H25N5O4	130	519	-0.5	25	3	5	7	"InChI=1S/C16H25N5O4/c1-16(2,3)25-15(24)20-11(7-10-8-18-9-19-10)14(23)21-6-4-5-12(21)13(17)22/h8-9,11-12H,4-7H2,1-3H3,(H2,17,22)(H,18,19)(H,20,24)"	CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)N	XUQAGEFQGZGTOD-UHFFFAOYSA-N
DG55633	NSC668460	381638	Benzyl 2-[[2-[2-(hydrazinecarbonyl)pyrrolidin-1-yl]-2-oxo-1-[[1-(p-tolylsulfonyl)imidazol-4-yl]methyl]ethyl]carbamoyl]-5-oxo-pyrrolidine-1-carboxylate; NSC668460; CHEMBL1995618; NSC-668460; NCI60_023895; 2-{2-(2-Hydrazinocarbonyl-pyrrolidin-1-yl)-2-oxo-1-[1-(toluene-4-sulfonyl)-1H-imidazol-4-ylmethyl]-ethylcarbamoyl}-5-oxo-pyrrolidine-1-carboxylic acid benzyl ester; benzyl 2-[[2-[2-(hydrazinecarbonyl)pyrrolidin-1-yl]-2-oxo-1-[[1-(p-tolylsulfonyl)imidazol-4-yl]methyl]ethyl]carbamoyl]-5-oxo-pyrrolidine-1-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668460	.	.	.	.	665.7	C31H35N7O8S	212	1280	1.2	47	3	10	11	"InChI=1S/C31H35N7O8S/c1-20-9-11-23(12-10-20)47(44,45)36-17-22(33-19-36)16-24(30(42)37-15-5-8-25(37)29(41)35-32)34-28(40)26-13-14-27(39)38(26)31(43)46-18-21-6-3-2-4-7-21/h2-4,6-7,9-12,17,19,24-26H,5,8,13-16,18,32H2,1H3,(H,34,40)(H,35,41)"	CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)CC(C(=O)N3CCCC3C(=O)NN)NC(=O)C4CCC(=O)N4C(=O)OCC5=CC=CC=C5	XOSWSIQCKFGJCJ-UHFFFAOYSA-N
DG55634	"1,2-Ethanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl-"	381648	"NSC668467; 149338-15-8; BRN 5822874; 1,2-Ethanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl-; CHEMBL1991015; DTXSID80933620; N-(5-Chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl-1,2-ethanediamine; NSC-668467; NCI60_023901; N,N-Dimethyl-2-[(5-chloro-2-nitrobenzo[b]thiophen-3-yl)amino]ethylamine; N-(5-chloro-2-nitro-benzothiophen-3-yl)-N',N'-dimethyl-ethane-1,2-diamine; (5-Chloro-3-((2-(dimethylamino)ethyl)amino)-1-benzothien-2-yl)(hydroxy)azane oxide; N~2~-(5-Chloro-2-nitro-1-benzothiophen-3-yl)-N~1~,N~1~-dimethylethane-1,2-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668467	.	.	.	.	299.78	C12H14ClN3O2S	89.3	327	4.3	19	1	5	4	"InChI=1S/C12H14ClN3O2S/c1-15(2)6-5-14-11-9-7-8(13)3-4-10(9)19-12(11)16(17)18/h3-4,7,14H,5-6H2,1-2H3"	CN(C)CCNC1=C(SC2=C1C=C(C=C2)Cl)[N+](=O)[O-]	ZSXCIADKDAEEHK-UHFFFAOYSA-N
DG55635	5-chloro-N-(4-chlorophenyl)-2-nitro-benzothiophen-3-amine	381649	"NSC668468; 5-chloro-N-(4-chlorophenyl)-2-nitro-benzothiophen-3-amine; 149338-25-0; BRN 5826170; 5-chloro-n-(4-chlorophenyl)-2-nitro-1-benzothiophen-3-amine; CHEMBL2002056; DTXSID00933622; 5-Chloro-N-(4-chlorophenyl)-2-nitrobenzo(b)thiophen-3-amine; Benzo(b)thiophen-3-amine, 5-chloro-N-(4-chlorophenyl)-2-nitro-; NSC-668468; NCI60_023902; A808967; 5-Chloro-N-(p-chlorophenyl)-2-nitrobenzo[b]thiophene-3-amine; (5-Chloro-3-(4-chloroanilino)-1-benzothien-2-yl)(hydroxy)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668468	.	.	.	.	339.2	C14H8Cl2N2O2S	86.1	388	6.5	21	1	4	2	"InChI=1S/C14H8Cl2N2O2S/c15-8-1-4-10(5-2-8)17-13-11-7-9(16)3-6-12(11)21-14(13)18(19)20/h1-7,17H"	C1=CC(=CC=C1NC2=C(SC3=C2C=C(C=C3)Cl)[N+](=O)[O-])Cl	PHPMDGDFDIROQA-UHFFFAOYSA-N
DG55636	ethyl N-[6-[6-[8-(ethoxycarbonylamino)phenanthridin-6-yl]hexyl]phenanthridin-8-yl]carbamate	381651	NSC668470; 146231-78-9; CHEMBL1986671; DTXSID70327594; NSC-668470; ethyl N-[6-[6-[8-(ethoxycarbonylamino)phenanthridin-6-yl]hexyl]phenanthridin-8-yl]carbamate; NCI60_023905; Ethyl 6-(6-(8-((ethoxycarbonyl)amino)-6-phenanthridinyl)hexyl)-8-phenanthridinylcarbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668470	.	.	.	.	614.7	C38H38N4O4	102	904	8.9	46	2	6	13	"InChI=1S/C38H38N4O4/c1-3-45-37(43)39-25-19-21-27-29-13-9-11-17-33(29)41-35(31(27)23-25)15-7-5-6-8-16-36-32-24-26(40-38(44)46-4-2)20-22-28(32)30-14-10-12-18-34(30)42-36/h9-14,17-24H,3-8,15-16H2,1-2H3,(H,39,43)(H,40,44)"	CCOC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3N=C2CCCCCCC4=NC5=CC=CC=C5C6=C4C=C(C=C6)NC(=O)OCC	CADACECZEDSKRC-UHFFFAOYSA-N
DG55637	NSC668476	381654	"2-amino-1-N,9-N-bis[3-(1-hydroxyethyl)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide; NSC668476; CHEMBL1983908; NSC-668476; NCI60_023911"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668476	.	.	.	.	1259.4	C60H82N12O18	396	3040	1.7	90	7	20	8	"InChI=1S/C60H82N12O18/c1-25(2)46-59(86)88-31(9)42(53(80)63-40(29(7)73)57(84)71-21-15-17-34(71)55(82)67(11)23-36(75)69(46)13)65-51(78)33-20-19-27(5)49-44(33)62-45-38(39(61)48(77)28(6)50(45)90-49)52(79)66-43-32(10)89-60(87)47(26(3)4)70(14)37(76)24-68(12)56(83)35-18-16-22-72(35)58(85)41(30(8)74)64-54(43)81/h19-20,25-26,29-32,34-35,40-43,46-47,73-74H,15-18,21-24,61H2,1-14H3,(H,63,80)(H,64,81)(H,65,78)(H,66,79)"	CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)O)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)O)C)C)C(C)C)C)N)C	VEYVVHQESYFSJE-UHFFFAOYSA-N
DG55638	"1,1-diethyl-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea"	381665	"NSC668493; CHEMBL1762600; NSC-668493; NCI60_023923; 1H-Indole-2,3-dione 3-(N,N-diethylthiosemicarbazone); 1,1-diethyl-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668493	.	.	.	.	276.36	C13H16N4OS	96.1	346	3.4	19	2	3	3	"InChI=1S/C13H16N4OS/c1-3-17(4-2)13(19)16-15-11-9-7-5-6-8-10(9)14-12(11)18/h5-8,14,18H,3-4H2,1-2H3"	CCN(CC)C(=S)N=NC1=C(NC2=CC=CC=C21)O	RKVXMJSQFZAMTJ-UHFFFAOYSA-N
DG55639	N-[(Z)-(2-oxoindolin-3-ylidene)amino]pyrrolidine-1-carbothioamide	381666	"NSC668494; CBMicro_023136; CHEMBL1762601; SCHEMBL23483678; CCG-10484; STL363732; ZINC18061296; AKOS022137662; MCULE-4107559896; NSC-668494; NCI60_023924; BIM-0023131.P001; J3.533.309F; AB00087985-01; N-[(Z)-(2-oxoindolin-3-ylidene)amino]pyrrolidine-1-carbothioamide; N'-(2,3-Dihydro-2-oxo-1H-indole-3-ylidene)pyrrolidine-1-thiocarbohydrazide; N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-pyrrolidinecarbothiohydrazide; N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]pyrrolidine-1-carbothiohydrazide; 6452-26-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668494	.	.	.	.	274.34	C13H14N4OS	96.1	370	3.1	19	2	3	1	"InChI=1S/C13H14N4OS/c18-12-11(9-5-1-2-6-10(9)14-12)15-16-13(19)17-7-3-4-8-17/h1-2,5-6,14,18H,3-4,7-8H2"	C1CCN(C1)C(=S)N=NC2=C(NC3=CC=CC=C32)O	MKKGVKPJCXSLAG-UHFFFAOYSA-N
DG55640	N-[(Z)-(2-oxoindolin-3-ylidene)amino]piperidine-1-carbothioamide	381667	"NSC668495; CHEMBL1762602; NSC-668495; NCI60_023925; N-[(Z)-(2-oxoindolin-3-ylidene)amino]piperidine-1-carbothioamide; N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-piperidinecarbothiohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668495	.	.	.	.	288.37	C14H16N4OS	96.1	383	3.5	20	2	3	1	"InChI=1S/C14H16N4OS/c19-13-12(10-6-2-3-7-11(10)15-13)16-17-14(20)18-8-4-1-5-9-18/h2-3,6-7,15,19H,1,4-5,8-9H2"	C1CCN(CC1)C(=S)N=NC2=C(NC3=CC=CC=C32)O	XKLNKBOZHHMKRO-UHFFFAOYSA-N
DG55641	N-[(Z)-(2-oxoindolin-3-ylidene)amino]azepane-1-carbothioamide	381668	"NSC668496; CHEMBL1993300; SCHEMBL14075839; ZINC3593162; STK396880; AKOS005434460; MCULE-3730502643; NSC-668496; NCI60_023926; N-[(Z)-(2-oxoindolin-3-ylidene)amino]azepane-1-carbothioamide; N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-azepanecarbothiohydrazide; 3-[2-[(Hexahydro-1H-azepine-1-yl)(thiocarbonyl)]hydrazono]-1H-indole-2(3H)-one; N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]azepane-1-carbothiohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668496	.	.	.	.	302.4	C15H18N4OS	96.1	395	3.8	21	2	3	1	"InChI=1S/C15H18N4OS/c20-14-13(11-7-3-4-8-12(11)16-14)17-18-15(21)19-9-5-1-2-6-10-19/h3-4,7-8,16,20H,1-2,5-6,9-10H2"	C1CCCN(CC1)C(=S)N=NC2=C(NC3=CC=CC=C32)O	ZYZGXPLWTZLVDT-UHFFFAOYSA-N
DG55642	"N,N-bis(2-chloropropyl)-N-methylammonium chloride"	381678	"NSC668523; N,N-bis(2-chloropropyl)-N-methylammonium chloride; 101258-60-0; CHEMBL1996550; DTXSID20906030; NSC-668523; 2-Chloro-N-(2-chloropropyl)-N-methylpropan-1-amine--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668523	.	.	.	.	220.6	C7H16Cl3N	3.2	77.7	.	11	1	1	4	"InChI=1S/C7H15Cl2N.ClH/c1-6(8)4-10(3)5-7(2)9;/h6-7H,4-5H2,1-3H3;1H"	CC(CN(C)CC(C)Cl)Cl.Cl	ZZRBIKAWEWFTIB-UHFFFAOYSA-N
DG55643	"1H-Pyrrole-2-carboxylic acid, 1-[[1-[(2,5-dihydro-1H-pyrrol-2-yl)carbonyl]-2,5-dihydro-1H-pyrrol-2-yl]carbonyl]-2,5-dihydro-"	381711	"NSC668569; 1H-Pyrrole-2-carboxylic acid, 1-[[1-[(2,5-dihydro-1H-pyrrol-2-yl)carbonyl]-2,5-dihydro-1H-pyrrol-2-yl]carbonyl]-2,5-dihydro-; CHEMBL1986059; NSC-668569; 1-[1-(2,5-dihydro-1H-pyrrole-2-carbonyl)-2,5-dihydropyrrole-2-carbonyl]-2,5-dihydropyrrole-2-carboxylic acid; NCI60_023939"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668569	.	.	.	.	303.31	C15H17N3O4	90	596	-2.5	22	2	5	3	"InChI=1S/C15H17N3O4/c19-13(10-4-1-7-16-10)17-8-2-5-11(17)14(20)18-9-3-6-12(18)15(21)22/h1-6,10-12,16H,7-9H2,(H,21,22)"	C1C=CC(N1)C(=O)N2CC=CC2C(=O)N3CC=CC3C(=O)O	WXLLNXVAJINDCK-UHFFFAOYSA-N
DG55644	NSC668579	381719	Benzyl 2-(((1-(1H-imidazol-4-ylmethyl)-2-((1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxoethyl)amino)-2-oxoethyl)amino)carbonyl)-5-oxo-1-pyrrolidinecarboxylate; NSC668579; CHEMBL1984456; NSC-668579; NCI60_023947; Benzyl 2-(((1-(1H-imidazol-4-ylmethyl)-2-((1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxoethyl)amino)-2-oxoethyl)amino)carbonyl)-5-oxo-1-pyrrolidinecarboxylate; benzyl 2-[[1-(1H-imidazol-4-ylmethyl)-2-[[1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-5-oxo-pyrrolidine-1-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668579	.	.	.	.	600.6	C31H32N6O7	176	1050	2.4	44	4	8	13	"InChI=1S/C31H32N6O7/c1-43-30(41)25(13-20-15-33-23-10-6-5-9-22(20)23)36-28(39)24(14-21-16-32-18-34-21)35-29(40)26-11-12-27(38)37(26)31(42)44-17-19-7-3-2-4-8-19/h2-10,15-16,18,24-26,33H,11-14,17H2,1H3,(H,32,34)(H,35,40)(H,36,39)"	COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CN=CN3)NC(=O)C4CCC(=O)N4C(=O)OCC5=CC=CC=C5	WVIROHQCACRCMC-UHFFFAOYSA-N
DG55645	"2-(3-Methoxyphenyl)-5,9-dimethyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	381739	"NSC668599; 2-(3-Methoxyphenyl)-5,9-dimethyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; CHEMBL1997880; (3-methoxyphenyl)-dimethyl-[ ]dione; NSC-668599; NCI60_023965"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668599	.	.	.	.	428.5	C27H28N2O3	62.4	770	5.2	32	1	3	2	"InChI=1S/C27H28N2O3/c1-14-7-9-18-19(11-14)23-24(25-22(18)20-12-15(2)8-10-21(20)28-25)27(31)29(26(23)30)16-5-4-6-17(13-16)32-3/h4-6,8,10,12-14,18-19,23-24,28H,7,9,11H2,1-3H3"	CC1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)C)C(=O)N(C3=O)C6=CC(=CC=C6)OC	NANZBUUOWZZXFV-UHFFFAOYSA-N
DG55646	"2-(4-Methoxyphenyl)-5,9-dimethyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	381740	"NSC668600; 2-(4-Methoxyphenyl)-5,9-dimethyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; CHEMBL1974455; NSC-668600; NCI60_023966"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668600	.	.	.	.	428.5	C27H28N2O3	62.4	762	5.2	32	1	3	2	"InChI=1S/C27H28N2O3/c1-14-4-10-18-19(12-14)23-24(25-22(18)20-13-15(2)5-11-21(20)28-25)27(31)29(26(23)30)16-6-8-17(32-3)9-7-16/h5-9,11,13-14,18-19,23-24,28H,4,10,12H2,1-3H3"	CC1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)C)C(=O)N(C3=O)C6=CC=C(C=C6)OC	VENREXJNMXUIOK-UHFFFAOYSA-N
DG55647	1-[5-(3-Formylindol-1-yl)pentyl]indole-3-carbaldehyde	381741	"NSC668601; 1H-Indole-3-carboxaldehyde, 1,1'-(1,5-pentanediyl)bis-; 1-[5-(3-formylindol-1-yl)pentyl]indole-3-carbaldehyde; CHEMBL1986487; ZINC1643007; NSC-668601; NCI60_023967; 1,1'-pentane-1,5-diylbis(1 h -indole-3-carbaldehyde)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668601	.	.	.	.	358.4	C23H22N2O2	44	467	3.6	27	0	2	8	"InChI=1S/C23H22N2O2/c26-16-18-14-24(22-10-4-2-8-20(18)22)12-6-1-7-13-25-15-19(17-27)21-9-3-5-11-23(21)25/h2-5,8-11,14-17H,1,6-7,12-13H2"	C1=CC=C2C(=C1)C(=CN2CCCCCN3C=C(C4=CC=CC=C43)C=O)C=O	VAAJFERPENUVEB-UHFFFAOYSA-N
DG55648	1-[12-(3-Formylindol-1-yl)dodecyl]indole-3-carbaldehyde	381742	"NSC668602; 1H-Indole-3-carboxaldehyde, 1,1'-(1,12-dodecanediyl)bis-; CHEMBL1980487; 1-[12-(3-formylindol-1-yl)dodecyl]indole-3-carbaldehyde; ZINC5741831; NSC-668602; NCI60_023968"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668602	.	.	.	.	456.6	C30H36N2O2	44	559	7.2	34	0	2	15	"InChI=1S/C30H36N2O2/c33-23-25-21-31(29-17-11-9-15-27(25)29)19-13-7-5-3-1-2-4-6-8-14-20-32-22-26(24-34)28-16-10-12-18-30(28)32/h9-12,15-18,21-24H,1-8,13-14,19-20H2"	C1=CC=C2C(=C1)C(=CN2CCCCCCCCCCCCN3C=C(C4=CC=CC=C43)C=O)C=O	ISCYKAGOPIKQFI-UHFFFAOYSA-N
DG55649	"11-[5-(1,4-Dioxobenzo[a]carbazol-11-yl)pentyl]benzo[a]carbazole-1,4-dione"	381745	"NSC668605; CHEMBL1998005; 11-[5-(1,4-dioxobenzo[a]carbazol-11-yl)pentyl]benzo[a]carbazole-1,4-dione; 1H-Benzo[a]carbazole-1,4(11H)-dione, 11,11'-(1,5-pentanediyl)bis-; NSC-668605; NCI60_023971"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668605	.	.	.	.	562.6	C37H26N2O4	78.1	1130	6.4	43	0	4	6	"InChI=1S/C37H26N2O4/c40-30-16-18-32(42)34-26(30)14-12-24-22-8-2-4-10-28(22)38(36(24)34)20-6-1-7-21-39-29-11-5-3-9-23(29)25-13-15-27-31(41)17-19-33(43)35(27)37(25)39/h2-5,8-19H,1,6-7,20-21H2"	C1=CC=C2C(=C1)C3=C(N2CCCCCN4C5=CC=CC=C5C6=C4C7=C(C=C6)C(=O)C=CC7=O)C8=C(C=C3)C(=O)C=CC8=O	AEIOLBCDIXOOIA-UHFFFAOYSA-N
DG55650	"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-(2-chlorophenyl)-5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-"	381758	"NSC668830; Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-(2-chlorophenyl)-5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-; CHEMBL1966212; tert-butyl-(2-chlorophenyl)[ ]dione; NSC-668830; NCI60_023982"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668830	.	.	.	.	461	C28H29ClN2O2	53.2	808	6.7	33	1	2	2	"InChI=1S/C28H29ClN2O2/c1-28(2,3)15-12-13-16-18(14-15)23-24(25-22(16)17-8-4-6-10-20(17)30-25)27(33)31(26(23)32)21-11-7-5-9-19(21)29/h4-11,15-16,18,23-24,30H,12-14H2,1-3H3"	CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6Cl	RHMHVJABEBFCCQ-UHFFFAOYSA-N
DG55651	"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-(3,5-dibromophenyl)-5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-"	381759	"NSC668831; Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-(3,5-dibromophenyl)-5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-; CHEMBL2002394; NSC-668831; tert-butyl-(3,5-dibromophenyl)[ ]dione; NCI60_023983"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668831	.	.	.	.	584.3	C28H28Br2N2O2	53.2	833	7.4	34	1	2	2	"InChI=1S/C28H28Br2N2O2/c1-28(2,3)14-8-9-18-20(10-14)23-24(25-22(18)19-6-4-5-7-21(19)31-25)27(34)32(26(23)33)17-12-15(29)11-16(30)13-17/h4-7,11-14,18,20,23-24,31H,8-10H2,1-3H3"	CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC(=CC(=C6)Br)Br	VIWRPBKUWFHHFI-UHFFFAOYSA-N
DG55652	"9-Tert-butyl-4-(2-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	381760	"NSC668832; CHEMBL2007290; tert-butyl-(2-nitrophenyl)[ ]dione; NSC-668832; NCI60_023984; 5-tert-Butyl-2-(2-(hydroxy(oxido)amino)phenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668832	.	.	.	.	471.5	C28H29N3O4	99	894	5.9	35	1	4	2	"InChI=1S/C28H29N3O4/c1-28(2,3)15-12-13-16-18(14-15)23-24(25-22(16)17-8-4-5-9-19(17)29-25)27(33)30(26(23)32)20-10-6-7-11-21(20)31(34)35/h4-11,15-16,18,23-24,29H,12-14H2,1-3H3"	CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6[N+](=O)[O-]	SCFFICSANODMCT-UHFFFAOYSA-N
DG55653	"9-Tert-butyl-4-(2-methoxy-4-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	381761	"NSC668833; CHEMBL1980057; NSC-668833; NCI60_023985; tert-butyl-(2-methoxy-4-nitro-phenyl)[ ]dione; 5-Tert-butyl-2-(4-(hydroxy(oxido)amino)-2-methoxyphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668833	.	.	.	.	501.6	C29H31N3O5	108	943	5.9	37	1	5	3	"InChI=1S/C29H31N3O5/c1-29(2,3)15-9-11-17-19(13-15)24-25(26-23(17)18-7-5-6-8-20(18)30-26)28(34)31(27(24)33)21-12-10-16(32(35)36)14-22(21)37-4/h5-8,10,12,14-15,17,19,24-25,30H,9,11,13H2,1-4H3"	CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=C(C=C(C=C6)[N+](=O)[O-])OC	KJUKQSBCDHJAIR-UHFFFAOYSA-N
DG55654	"Benzonitrile, 4-[5-(1,1-dimethylethyl)-3,3a,3b,4,5,6,7,7a,12,12b-decahydro-1,3-dioxobenzo[c]pyrrolo[3,4-a]carbazol-2(1H)-yl]-"	381762	"NSC668834; Benzonitrile, 4-[5-(1,1-dimethylethyl)-3,3a,3b,4,5,6,7,7a,12,12b-decahydro-1,3-dioxobenzo[c]pyrrolo[3,4-a]carbazol-2(1H)-yl]-; CHEMBL1965914; NSC-668834; 4-[tert-butyl(dioxo)[ ]yl]benzonitrile; NCI60_023986"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668834	.	.	.	.	451.6	C29H29N3O2	77	891	5.8	34	1	3	2	"InChI=1S/C29H29N3O2/c1-29(2,3)17-10-13-19-21(14-17)24-25(26-23(19)20-6-4-5-7-22(20)31-26)28(34)32(27(24)33)18-11-8-16(15-30)9-12-18/h4-9,11-12,17,19,21,24-25,31H,10,13-14H2,1-3H3"	CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)C#N	QCCODWRKWVXPTA-UHFFFAOYSA-N
DG55655	"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-2-(2,6-dimethylphenyl)-3b,4,5,6,7,7a,12,12b-octahydro-"	381763	"NSC668835; Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-2-(2,6-dimethylphenyl)-3b,4,5,6,7,7a,12,12b-octahydro-; CHEMBL1995183; NSC-668835; NCI60_023987; tert-butyl-(2,6-dimethylphenyl)[ ]dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668835	.	.	.	.	454.6	C30H34N2O2	53.2	822	6.8	34	1	2	2	"InChI=1S/C30H34N2O2/c1-16-9-8-10-17(2)27(16)32-28(33)24-21-15-18(30(3,4)5)13-14-19(21)23-20-11-6-7-12-22(20)31-26(23)25(24)29(32)34/h6-12,18-19,21,24-25,31H,13-15H2,1-5H3"	CC1=C(C(=CC=C1)C)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C(C)(C)C	IDNCRGPUIYDYNH-UHFFFAOYSA-N
DG55656	"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-cyclohexyl-3b,4,5,6,7,7a,12,12b-octahydro-5-methyl-"	381764	"NSC668836; cyclohexyl(methyl)[ ]dione; CHEMBL1970849; NSC-668836; Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-cyclohexyl-3b,4,5,6,7,7a,12,12b-octahydro-5-methyl-; NCI60_023988"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668836	.	.	.	.	390.5	C25H30N2O2	53.2	686	5.1	29	1	2	1	"InChI=1S/C25H30N2O2/c1-14-11-12-16-18(13-14)21-22(23-20(16)17-9-5-6-10-19(17)26-23)25(29)27(24(21)28)15-7-3-2-4-8-15/h5-6,9-10,14-16,18,21-22,26H,2-4,7-8,11-13H2,1H3"	CC1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6CCCCC6	ZZUTXMQPHRBRJP-UHFFFAOYSA-N
DG55657	"5-tert-Butyl-2-(2,5-dichlorophenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	381767	"NSC668839; 5-tert-Butyl-2-(2,5-dichlorophenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; CHEMBL2002347; NSC-668839; NCI60_023991; tert-butyl-(2,5-dichlorophenyl)[ ]dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668839	.	.	.	.	495.4	C28H28Cl2N2O2	53.2	843	7.3	34	1	2	2	"InChI=1S/C28H28Cl2N2O2/c1-28(2,3)14-8-10-16-18(12-14)23-24(25-22(16)17-6-4-5-7-20(17)31-25)27(34)32(26(23)33)21-13-15(29)9-11-19(21)30/h4-7,9,11,13-14,16,18,23-24,31H,8,10,12H2,1-3H3"	CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=C(C=CC(=C6)Cl)Cl	PLFMCAYPEZANFN-UHFFFAOYSA-N
DG55658	"4-(5-tert-Butyl-1,3-dioxo-3,3a,3b,4,5,6,7,7a,12,12b-decahydrobenzo[c]pyrrolo[3,4-a]carbazol-2(1H)-yl)benzoic acid"	381769	"NSC668841; 4-(5-tert-Butyl-1,3-dioxo-3,3a,3b,4,5,6,7,7a,12,12b-decahydrobenzo[c]pyrrolo[3,4-a]carbazol-2(1H)-yl)benzoic acid; CHEMBL2000270; NSC-668841; 4-[tert-butyl(dioxo)[ ]yl]benzoic acid; NCI60_023993"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668841	.	.	.	.	470.6	C29H30N2O4	90.5	888	5.6	35	2	4	3	"InChI=1S/C29H30N2O4/c1-29(2,3)16-10-13-18-20(14-16)23-24(25-22(18)19-6-4-5-7-21(19)30-25)27(33)31(26(23)32)17-11-8-15(9-12-17)28(34)35/h4-9,11-12,16,18,20,23-24,30H,10,13-14H2,1-3H3,(H,34,35)"	CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)C(=O)O	IKTVSAXCEBKIPT-UHFFFAOYSA-N
DG55659	"3-(2-Methyl-1H-indol-3-yl)-1-phenyl-1H-pyrrole-2,5-dione"	381770	"NSC668842; 3-(2-Methyl-1H-indol-3-yl)-1-phenyl-1H-pyrrole-2,5-dione; CHEMBL1983419; NSC-668842; NCI60_023994; J3.493.451G; 3-(2-methyl-1H-indol-3-yl)-1-phenyl-pyrrole-2,5-dione; 1-Phenyl-3-(2-methyl-1H-indole-3-yl)-3-pyrroline-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668842	.	.	.	.	302.3	C19H14N2O2	53.2	536	3.2	23	1	2	2	"InChI=1S/C19H14N2O2/c1-12-18(14-9-5-6-10-16(14)20-12)15-11-17(22)21(19(15)23)13-7-3-2-4-8-13/h2-11,20H,1H3"	CC1=C(C2=CC=CC=C2N1)C3=CC(=O)N(C3=O)C4=CC=CC=C4	JJTLKPMPBAGFOR-UHFFFAOYSA-N
DG55660	"1-Phenyl-3-(2-phenyl-1H-indol-3-yl)-pyrrole-2,5-dione"	381771	"NSC668843; 1-Phenyl-3-(2-phenyl-1H-indol-3-yl)-pyrrole-2,5-dione; CHEMBL1989684; 1-phenyl-3-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione; ZINC1643024; NSC-668843; NCI60_023995"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668843	.	.	.	.	364.4	C24H16N2O2	53.2	645	4.5	28	1	2	3	"InChI=1S/C24H16N2O2/c27-21-15-19(24(28)26(21)17-11-5-2-6-12-17)22-18-13-7-8-14-20(18)25-23(22)16-9-3-1-4-10-16/h1-15,25H"	C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C4=CC(=O)N(C4=O)C5=CC=CC=C5	DGGPBBHDUMVWOZ-UHFFFAOYSA-N
DG55661	"8-Fluoro-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione"	381772	"NSC668844; 8-Fluoro-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione; CHEMBL1987392; NSC-668844; NCI60_023996; 8-fluoro-11-methyl-benzo[a]carbazole-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668844	.	.	.	.	279.26	C17H10FNO2	39.1	517	3	21	0	3	0	"InChI=1S/C17H10FNO2/c1-19-13-5-2-9(18)8-12(13)10-3-4-11-14(20)6-7-15(21)16(11)17(10)19/h2-8H,1H3"	CN1C2=C(C=C(C=C2)F)C3=C1C4=C(C=C3)C(=O)C=CC4=O	WZEIPRXRCWJHHE-UHFFFAOYSA-N
DG55662	"9-Tert-butyl-4-(4-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	381785	"NSC668851; CHEMBL1966250; tert-butyl-(4-nitrophenyl)[ ]dione; NSC-668851; NCI60_023997; 5-tert-Butyl-2-(4-(hydroxy(oxido)amino)phenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668851	.	.	.	.	471.5	C28H29N3O4	99	886	5.9	35	1	4	2	"InChI=1S/C28H29N3O4/c1-28(2,3)15-8-13-18-20(14-15)23-24(25-22(18)19-6-4-5-7-21(19)29-25)27(33)30(26(23)32)16-9-11-17(12-10-16)31(34)35/h4-7,9-12,15,18,20,23-24,29H,8,13-14H2,1-3H3"	CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)[N+](=O)[O-]	DZQLBFSYEPOYJZ-UHFFFAOYSA-N
DG55663	6-(Benzyloxycarbonylamino)-2-[[3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]hexanoic acid	381798	NSC668876; CHEMBL1985524; NSC-668876; NCI60_024005; 6-(benzyloxycarbonylamino)-2-[[3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]hexanoic acid; N~6~-((Benzyloxy)carbonyl)-N~2~-(3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoyl)lysine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668876	.	.	.	.	633.7	C35H43N3O8	152	935	5.6	46	4	8	19	"InChI=1S/C35H43N3O8/c1-35(2,3)46-34(43)38-30(22-25-17-19-28(20-18-25)44-23-26-12-6-4-7-13-26)31(39)37-29(32(40)41)16-10-11-21-36-33(42)45-24-27-14-8-5-9-15-27/h4-9,12-15,17-20,29-30H,10-11,16,21-24H2,1-3H3,(H,36,42)(H,37,39)(H,38,43)(H,40,41)"	CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)O	KQAYCLXEQVMWMJ-UHFFFAOYSA-N
DG55664	Methyl 2-((4-(((benzyloxy)carbonyl)amino)butanoyl)amino)-3-phenylpropanoate	381817	NSC668890; Methyl 2-((4-(((benzyloxy)carbonyl)amino)butanoyl)amino)-3-phenylpropanoate; CHEMBL2004705; NSC-668890; NCI60_024018; methyl 2-[4-(benzyloxycarbonylamino)butanoylamino]-3-phenyl-propanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668890	.	.	.	.	398.5	C22H26N2O5	93.7	513	3	29	2	5	12	"InChI=1S/C22H26N2O5/c1-28-21(26)19(15-17-9-4-2-5-10-17)24-20(25)13-8-14-23-22(27)29-16-18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-16H2,1H3,(H,23,27)(H,24,25)"	COC(=O)C(CC1=CC=CC=C1)NC(=O)CCCNC(=O)OCC2=CC=CC=C2	MWRHQEMRZSFNJF-UHFFFAOYSA-N
DG55665	Methyl 2-((3-(benzyloxy)-2-(((benzyloxy)carbonyl)amino)propanoyl)amino)-3-(4-hydroxyphenyl)propanoate	381824	NSC668896; Methyl 2-((3-(benzyloxy)-2-(((benzyloxy)carbonyl)amino)propanoyl)amino)-3-(4-hydroxyphenyl)propanoate; CHEMBL2005049; NSC-668896; NCI60_024024; methyl 2-[[3-benzyloxy-2-(benzyloxycarbonylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668896	.	.	.	.	506.5	C28H30N2O7	123	699	2.8	37	3	7	14	"InChI=1S/C28H30N2O7/c1-35-27(33)24(16-20-12-14-23(31)15-13-20)29-26(32)25(19-36-17-21-8-4-2-5-9-21)30-28(34)37-18-22-10-6-3-7-11-22/h2-15,24-25,31H,16-19H2,1H3,(H,29,32)(H,30,34)"	COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(COCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3	ZGJOKKROJVVMTJ-UHFFFAOYSA-N
DG55666	NSC668898	381826	"Methyl 2-[2-[[2-[[3-benzyloxy-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-(4-benzyloxyphenyl)propanoyl]amino]propanoylamino]-4-methyl-pentanoate; NSC668898; CHEMBL1995287; NSC-668898; NCI60_024025; methyl 2-[2-[[2-[[3-benzyloxy-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-(4-benzyloxyphenyl)propanoyl]amino]propanoylamino]-4-methyl-pentanoate; Methyl 9-(4-(benzyloxy)benzyl)-6-((benzyloxy)methyl)-15-isobutyl-2,2,12-trimethyl-4,7,10,13-tetraoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-oate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668898	.	.	.	.	746.9	C41H54N4O9	170	1170	5.8	54	4	9	22	"InChI=1S/C41H54N4O9/c1-27(2)22-34(39(49)51-7)44-36(46)28(3)42-37(47)33(23-29-18-20-32(21-19-29)53-25-31-16-12-9-13-17-31)43-38(48)35(45-40(50)54-41(4,5)6)26-52-24-30-14-10-8-11-15-30/h8-21,27-28,33-35H,22-26H2,1-7H3,(H,42,47)(H,43,48)(H,44,46)(H,45,50)"	CC(C)CC(C(=O)OC)NC(=O)C(C)NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C(COCC3=CC=CC=C3)NC(=O)OC(C)(C)C	BXGALXNBJGDCHK-UHFFFAOYSA-N
DG55667	NSC668899	381827	"Methyl 2-[[2-[[2-[[3-benzyloxy-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-(4-benzyloxyphenyl)propanoyl]amino]acetyl]amino]-4-methyl-pentanoate; NSC668899; CHEMBL2003810; NSC-668899; NCI60_024026; methyl 2-[[2-[[2-[[3-benzyloxy-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-(4-benzyloxyphenyl)propanoyl]amino]acetyl]amino]-4-methyl-pentanoate; Methyl 9-(4-(benzyloxy)benzyl)-6-((benzyloxy)methyl)-15-isobutyl-2,2-dimethyl-4,7,10,13-tetraoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-oate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668899	.	.	.	.	732.9	C40H52N4O9	170	1140	5.4	53	4	9	22	"InChI=1S/C40H52N4O9/c1-27(2)21-33(38(48)50-6)42-35(45)23-41-36(46)32(22-28-17-19-31(20-18-28)52-25-30-15-11-8-12-16-30)43-37(47)34(44-39(49)53-40(3,4)5)26-51-24-29-13-9-7-10-14-29/h7-20,27,32-34H,21-26H2,1-6H3,(H,41,46)(H,42,45)(H,43,47)(H,44,49)"	CC(C)CC(C(=O)OC)NC(=O)CNC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C(COCC3=CC=CC=C3)NC(=O)OC(C)(C)C	MZCIOSKIHCYJAP-UHFFFAOYSA-N
DG55668	1-(4-Chlorophenyl)-3-(4-methylbenzenesulfonamido)urea	381837	NSC668910; MLS000548826; CHEMBL1508600; HMS2531O15; ZINC363764; AKOS000545656; MCULE-4864066647; NSC-668910; NCI60_024037; SMR000171186; Z44602764; 1-(4-chlorophenyl)-3-(4-methylbenzenesulfonamido)urea; 131574-10-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668910	.	.	.	.	339.8	C14H14ClN3O3S	95.7	464	2.8	22	3	4	4	"InChI=1S/C14H14ClN3O3S/c1-10-2-8-13(9-3-10)22(20,21)18-17-14(19)16-12-6-4-11(15)5-7-12/h2-9,18H,1H3,(H2,16,17,19)"	CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC=C(C=C2)Cl	SKAIZFCFXOJRNO-UHFFFAOYSA-N
DG55669	1-[(4-Methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]urea	381839	NSC668912; CHEMBL2007439; NSC-668912; NCI60_024039	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668912	.	.	.	.	373.4	C15H14F3N3O3S	95.7	555	3	25	3	7	4	"InChI=1S/C15H14F3N3O3S/c1-10-5-7-13(8-6-10)25(23,24)21-20-14(22)19-12-4-2-3-11(9-12)15(16,17)18/h2-9,21H,1H3,(H2,19,20,22)"	CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC=CC(=C2)C(F)(F)F	HASDMVCKRVYYBB-UHFFFAOYSA-N
DG55670	1-(4-Methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]urea	381840	NSC668913; CHEMBL1994219; ZINC363761; AKOS003659811; MCULE-4816966283; NSC-668913; NCI60_024040; AB00091270-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668913	.	.	.	.	335.4	C15H17N3O4S	105	475	2.1	23	3	5	5	"InChI=1S/C15H17N3O4S/c1-11-3-9-14(10-4-11)23(20,21)18-17-15(19)16-12-5-7-13(22-2)8-6-12/h3-10,18H,1-2H3,(H2,16,17,19)"	CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC=C(C=C2)OC	JFOZFYPBIYNWCB-UHFFFAOYSA-N
DG55671	4-Azido-3-benzyl-coumarin	381886	"4-azido-3-benzyl-coumarin; NSC669149; 4-Azido-3-benzyl-cumarin; CHEMBL1975353; 4-azido-3-benzyl-chromen-2-one; NSC-669149; NCI60_024077; 3-Benzyl-4-(2.lambda.~5~-1,2-triazadienyl)-2H-chromen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669149	.	.	.	.	277.28	C16H11N3O2	40.7	488	4.5	21	0	4	3	"InChI=1S/C16H11N3O2/c17-19-18-15-12-8-4-5-9-14(12)21-16(20)13(15)10-11-6-2-1-3-7-11/h1-9H,10H2"	C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3OC2=O)N=[N+]=[N-]	JWAAQFVXTPWWFH-UHFFFAOYSA-N
DG55672	"3-Azido-3-phenyl-quinoline-2,4-dione"	381888	"3-azido-3-phenyl-quinoline-2,4-dione; NSC669150; 3-azido-3-phenyl-1H-quinoline-2,4-dione; CHEMBL2001623; NSC-669150; NCI60_024079; 3-Phenyl-3-(2.lambda.~5~-1,2-triazadienyl)-2,4(1H,3H)-quinolinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669150	.	.	.	.	278.26	C15H10N4O2	60.5	494	3.5	21	1	4	2	"InChI=1S/C15H10N4O2/c16-19-18-15(10-6-2-1-3-7-10)13(20)11-8-4-5-9-12(11)17-14(15)21/h1-9H,(H,17,21)"	C1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3NC2=O)N=[N+]=[N-]	XBRXNUUKKLJTET-UHFFFAOYSA-N
DG55673	4-Azido-3-formyl-1-phenyl-2-quinolone	381889	"4-azido-3-formyl-1-phenyl-2-quinolone; NSC669151; CHEMBL2007259; NSC-669151; NCI60_024080; 4-azido-2-oxo-1-phenyl-quinoline-3-carbaldehyde; 1-Phenyl-2-oxo-4-azido-1,2-dihydroquinoline-3-carbaldehyde; 4-azido-2-oxo-1-phenyl-1,2-dihydroquinoline-3-carbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669151	.	.	.	.	290.28	C16H10N4O2	51.7	544	3.4	22	0	4	3	InChI=1S/C16H10N4O2/c17-19-18-15-12-8-4-5-9-14(12)20(16(22)13(15)10-21)11-6-2-1-3-7-11/h1-10H	C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C2=O)C=O)N=[N+]=[N-]	PIFHHBVAVREDMY-UHFFFAOYSA-N
DG55674	1-Azido-2-phenyl-3-phenalenone	381891	"1-azido-2-phenyl-3-phenalenone; NSC669152; 3-azido-2-phenyl-phenalen-1-one; CHEMBL1989164; 3-azido-2-phenyl-1h-phenalen-1-one; 2-Phenyl-3-azido-1H-phenalen-1-one; NSC-669152; NCI60_024081; 2-Phenyl-3-(2.lambda.~5~-1,2-triazadienyl)-1H-phenalen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669152	.	.	.	.	297.3	C19H11N3O	31.4	569	5.5	23	0	3	2	InChI=1S/C19H11N3O/c20-22-21-18-14-10-4-8-12-9-5-11-15(16(12)14)19(23)17(18)13-6-2-1-3-7-13/h1-11H	C1=CC=C(C=C1)C2=C(C3=CC=CC4=C3C(=CC=C4)C2=O)N=[N+]=[N-]	JPYRTXRWUHGFIC-UHFFFAOYSA-N
DG55675	"3-Azido-1-methyl-3-nonyl-quinoline-2,4-dione"	381893	"3-azido-1-methyl-3-nonyl-quinoline-2,4-dione; NSC669153; CHEMBL1968815; NSC-669153; NCI60_024082; 1-Methyl-3-nonyl-3-(2.lambda.~5~-1,2-triazadienyl)-2,4(1H,3H)-quinolinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669153	.	.	.	.	342.4	C19H26N4O2	51.7	530	6.5	25	0	4	9	"InChI=1S/C19H26N4O2/c1-3-4-5-6-7-8-11-14-19(21-22-20)17(24)15-12-9-10-13-16(15)23(2)18(19)25/h9-10,12-13H,3-8,11,14H2,1-2H3"	CCCCCCCCCC1(C(=O)C2=CC=CC=C2N(C1=O)C)N=[N+]=[N-]	SRQHACORXOESPB-UHFFFAOYSA-N
DG55676	4-Azido-2-chloro-3-nitro-quinoline	381894	"4-azido-2-chloro-3-nitro-quinoline; NSC669154; CHEMBL2002016; NSC-669154; NCI60_024083; 2-Chloro-3-(hydroxy(oxido)amino)-4-(2.lambda.~5~-1,2-triazadienyl)quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669154	.	.	.	.	249.61	C9H4ClN5O2	73.1	354	3.9	17	0	5	1	InChI=1S/C9H4ClN5O2/c10-9-8(15(16)17)7(13-14-11)5-3-1-2-4-6(5)12-9/h1-4H	C1=CC=C2C(=C1)C(=C(C(=N2)Cl)[N+](=O)[O-])N=[N+]=[N-]	JISYBWRSFMWCAG-UHFFFAOYSA-N
DG55677	1-Azido-2-formyl-benzo[ij]quinolizin-3-one	381901	"NSC669158; azido(oxo)[ ]carbaldehyde; CHEMBL1981826; 7-azido-5-oxo-2,3-dihydro-1h,5h-pyrido[3,2,1-ij]quinoline-6-carbaldehyde; NSC-669158; NCI60_024087; 1-Azido-2-formyl-benzo[ij]quinolizin-3-one; {1-Azido-2-formyl-benzo[ij]quinolizin-3-one}; 5-Oxo-7-(2.lambda.~5~-1,2-triazadienyl)-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669158	.	.	.	.	254.24	C13H10N4O2	51.7	507	2.2	19	0	4	2	"InChI=1S/C13H10N4O2/c14-16-15-11-9-5-1-3-8-4-2-6-17(12(8)9)13(19)10(11)7-18/h1,3,5,7H,2,4,6H2"	C1CC2=C3C(=CC=C2)C(=C(C(=O)N3C1)C=O)N=[N+]=[N-]	UFDNWEYYEPBKDM-UHFFFAOYSA-N
DG55678	1-Azido-2-(2-pyridyl)-phenalen-3-one	381904	"1-azido-2-(2-pyridyl)-phenalen-3-one; NSC669160; CHEMBL1965130; 3-azido-2-(2-pyridyl)phenalen-1-one; NSC-669160; NCI60_024090; 2-(2-Pyridinyl)-3-azido-1H-phenalen-1-one; 2-(2-Pyridinyl)-3-(2.lambda.~5~-1,2-triazadienyl)-1H-phenalen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669160	.	.	.	.	298.3	C18H10N4O	44.3	578	4.4	23	0	4	2	InChI=1S/C18H10N4O/c19-22-21-17-12-7-3-5-11-6-4-8-13(15(11)12)18(23)16(17)14-9-1-2-10-20-14/h1-10H	C1=CC=NC(=C1)C2=C(C3=CC=CC4=C3C(=CC=C4)C2=O)N=[N+]=[N-]	GUIZIYIZXSXPOY-UHFFFAOYSA-N
DG55679	"3-Azido-3-n-heptyl-quinoline-2,4-dione"	381906	"3-azido-3-n-heptyl-quinoline-2,4-dione; NSC669161; 3-azido-3-heptyl-1H-quinoline-2,4-dione; CHEMBL1973682; NSC-669161; NCI60_024091; 3-Heptyl-3-(2.lambda.~5~-1,2-triazadienyl)-2,4(1H,3H)-quinolinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669161	.	.	.	.	300.36	C16H20N4O2	60.5	473	5.2	22	1	4	7	"InChI=1S/C16H20N4O2/c1-2-3-4-5-8-11-16(19-20-17)14(21)12-9-6-7-10-13(12)18-15(16)22/h6-7,9-10H,2-5,8,11H2,1H3,(H,18,22)"	CCCCCCCC1(C(=O)C2=CC=CC=C2NC1=O)N=[N+]=[N-]	YQZHNRZCEVUYJZ-UHFFFAOYSA-N
DG55680	4-Azido-2-chloro-3-morpholino-quinoline	381907	"4-azido-2-chloro-3-morpholino-quinoline; NSC669162; CHEMBL1984740; NSC-669162; NCI60_024092; 4-(4-azido-2-chloro-3-quinolyl)morpholine; 2-Chloro-3-(4-morpholinyl)-4-(2.lambda.~5~-1,2-triazadienyl)quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669162	.	.	.	.	289.72	C13H12ClN5O	39.7	383	3.8	20	0	5	2	"InChI=1S/C13H12ClN5O/c14-13-12(19-5-7-20-8-6-19)11(17-18-15)9-3-1-2-4-10(9)16-13/h1-4H,5-8H2"	C1COCCN1C2=C(C3=CC=CC=C3N=C2Cl)N=[N+]=[N-]	FQPHMWRMTQEVKI-UHFFFAOYSA-N
DG55681	4-Azido-3-chloro-1-methyl-2-quinolone	381911	"4-azido-3-chloro-1-methyl-2-quinolone; NSC669165; CHEMBL1997486; NSC-669165; NCI60_024095; 4-azido-3-chloro-1-methyl-quinolin-2-one; 4-Azido-3-chlor- 1-methyl- 2(1H)-chinolon; 3-Chloro-1-methyl-4-(2.lambda.~5~-1,2-triazadienyl)-2(1H)-quinolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669165	.	.	.	.	234.64	C10H7ClN4O	34.7	400	3	16	0	3	1	"InChI=1S/C10H7ClN4O/c1-15-7-5-3-2-4-6(7)9(13-14-12)8(11)10(15)16/h2-5H,1H3"	CN1C2=CC=CC=C2C(=C(C1=O)Cl)N=[N+]=[N-]	PAUOMYBFQQFFBE-UHFFFAOYSA-N
DG55682	4-Azido-3-nitro-1-phenyl-2-quinolone	381913	"4-azido-3-nitro-1-phenyl-2-quinolone; NSC669166; CHEMBL1976408; NSC-669166; NCI60_024096; 4-azido-3-nitro-1-phenyl-quinolin-2-one; 4-Azido-3-nitro- 1-phenyl- 2(1H)-chinolon; 3-(Hydroxy(oxido)amino)-1-phenyl-4-(2.lambda.~5~-1,2-triazadienyl)-2(1H)-quinolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669166	.	.	.	.	307.26	C15H9N5O3	80.5	584	3.8	23	0	5	2	InChI=1S/C15H9N5O3/c16-18-17-13-11-8-4-5-9-12(11)19(10-6-2-1-3-7-10)15(21)14(13)20(22)23/h1-9H	C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C2=O)[N+](=O)[O-])N=[N+]=[N-]	IBNOMQPZAKBNKT-UHFFFAOYSA-N
DG55683	4-Azido-2-chloro-3-cyanoquinoline	381915	"4-azido-2-chloro-3-cyanoquinoline; 157027-31-1; 4-azido-2-chloroquinoline-3-carbonitrile; NSC669167; NSC 669167; CHEMBL1992365; DTXSID70935597; 2-Chloro-4-(2lambda(5)-1,2-triazadienyl)-3-quinolinecarbonitrile; ZINC16958648; NSC-669167; NCI60_024097; 4-azido-2-chloro-quinoline-3-carbonitrile; 2-Chloro-4-(2.lambda.~5~-1,2-triazadienyl)-3-quinolinecarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669167	.	.	.	.	229.62	C10H4ClN5	51	356	3.8	16	0	4	1	InChI=1S/C10H4ClN5/c11-10-7(5-12)9(15-16-13)6-3-1-2-4-8(6)14-10/h1-4H	C1=CC=C2C(=C1)C(=C(C(=N2)Cl)C#N)N=[N+]=[N-]	UKMDXJYEEGIRAQ-UHFFFAOYSA-N
DG55684	2-[Hexadecyl(hydroxy)phosphoryl]oxyethyl-trimethyl-ammonium	381954	NSC669266; CHEMBL2000639; SCHEMBL11032681; NSC-669266; 2-[hexadecyl(hydroxy)phosphoryl]oxyethyl-trimethyl-ammonium; 2-(Trimethyl-.lambda.~5~-azanyl)ethyl hydrogen hexadecylphosphonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669266	.	.	.	.	391.6	C21H46NO3P	49.4	347	6.7	26	0	3	19	"InChI=1S/C21H46NO3P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(23,24)25-20-19-22(2,3)4/h5-21H2,1-4H3"	CCCCCCCCCCCCCCCCP(=O)([O-])OCC[N+](C)(C)C	HQOKCCMTRLZZBE-UHFFFAOYSA-N
DG55685	"(2S,3S)-2-Hydroxy-2-phenyl-3-p-tolylsulfenylbutanamide"	381957	"NSC669268; (2S,3S)-2-Hydroxy-2-phenyl-3-p-tolylsulfenylbutanamide; CHEMBL1986024; ZINC1643116; NSC-669268; NCI60_024126; (2S,3S)-2-Hydroxy-2-phenyl-3-(p-tolylthio)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669268	.	.	.	.	301.4	C17H19NO2S	88.6	349	3	21	2	3	5	"InChI=1S/C17H19NO2S/c1-12-8-10-15(11-9-12)21-13(2)17(20,16(18)19)14-6-4-3-5-7-14/h3-11,13,20H,1-2H3,(H2,18,19)/t13-,17-/m0/s1"	CC1=CC=C(C=C1)S[C@@H](C)[C@](C2=CC=CC=C2)(C(=O)N)O	QQDHDKCUVFNAQU-GUYCJALGSA-N
DG55686	"3-Acetyl-N',2-diphenyl-1,3-thiazolidine-4-carbohydrazide"	381977	"NSC669297; CHEMBL1966196; 3-Acetyl-N',2-diphenyl-1,3-thiazolidine-4-carbohydrazide; NSC-669297; NCI60_024139; 3-acetyl-N',2-diphenyl-thiazolidine-4-carbohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669297	.	.	.	.	341.4	C18H19N3O2S	86.7	448	3	24	2	4	4	"InChI=1S/C18H19N3O2S/c1-13(22)21-16(12-24-18(21)14-8-4-2-5-9-14)17(23)20-19-15-10-6-3-7-11-15/h2-11,16,18-19H,12H2,1H3,(H,20,23)"	CC(=O)N1C(CSC1C2=CC=CC=C2)C(=O)NNC3=CC=CC=C3	BLKAUWDHKQFPLR-UHFFFAOYSA-N
DG55687	"1-((4-Benzyl-1-piperazinyl)acetyl)-1,2,3,4-tetrahydro-6H-pyrimido[2,1-b]quinazolin-6-one"	381984	"NSC669304; 1-((4-Benzyl-1-piperazinyl)acetyl)-1,2,3,4-tetrahydro-6H-pyrimido[2,1-b]quinazolin-6-one; CHEMBL1989336; ZINC102931902; NSC-669304; 1-[2-(4-benzylpiperazin-1-yl)acetyl]-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one; NCI60_024146; 1,2,3,4-Tetrahydro-1-[(4-benzylpiperazin-1-yl)acetyl]-6H-pyrimido[2,1-b]quinazolin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669304	.	.	.	.	417.5	C24H27N5O2	59.5	696	2.2	31	0	5	4	"InChI=1S/C24H27N5O2/c30-22(18-27-15-13-26(14-16-27)17-19-7-2-1-3-8-19)28-11-6-12-29-23(31)20-9-4-5-10-21(20)25-24(28)29/h1-5,7-10H,6,11-18H2"	C1CN2C(=O)C3=CC=CC=C3N=C2N(C1)C(=O)CN4CCN(CC4)CC5=CC=CC=C5	WMJOMCXPPMHNRI-UHFFFAOYSA-N
DG55688	"9,10-Dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol"	382047	NSC669349; CHEMBL1997300; SCHEMBL22039120; NSC-669349; NCI60_024190	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669349	.	.	.	.	300.3	C18H20O4	80.9	351	4	22	4	4	0	"InChI=1S/C18H20O4/c1-9-3-11-5-15(19)17(21)7-13(11)14-8-18(22)16(20)6-12(14)4-10(9)2/h5-10,19-22H,3-4H2,1-2H3"	CC1CC2=CC(=C(C=C2C3=CC(=C(C=C3CC1C)O)O)O)O	QAIDKUGAYKKTCT-UHFFFAOYSA-N
DG55689	"N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine;2-hydroxyethanesulfonic acid"	382057	NSC669364; CHEMBL1967344; NCI60_024193	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669364	.	.	.	.	486.3	C18H20BrN3O6S	139	477	.	29	3	9	6	"InChI=1S/C16H14BrN3O2.C2H6O4S/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11;3-1-2-7(4,5)6/h3-9H,1-2H3,(H,18,19,20);3H,1-2H2,(H,4,5,6)"	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OC.C(CS(=O)(=O)O)O	OUXQTCRLCHDCTF-UHFFFAOYSA-N
DG55690	"4-N-(3-bromophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine;methanesulfonic acid"	382058	NSC669365; CHEMBL1992059; NSC-669365	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669365	.	.	.	.	412.26	C14H14BrN5O3S	140	395	.	24	3	8	2	"InChI=1S/C13H10BrN5.CH4O3S/c14-8-2-1-3-9(4-8)19-13-10-6-16-12(15)5-11(10)17-7-18-13;1-5(2,3)4/h1-7H,(H2,15,16)(H,17,18,19);1H3,(H,2,3,4)"	CS(=O)(=O)O.C1=CC(=CC(=C1)Br)NC2=NC=NC3=CC(=NC=C32)N	XEURSJHGRBFNCW-UHFFFAOYSA-N
DG55691	"9-(4-Hydroxy-3,5-dimethoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	382066	"NSC669380; MLS002702213; 9-(4-Hydroxy-3,5-dimethoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one; CHEMBL1873119; SCHEMBL17125297; NSC-669380; NCI60_024198; SMR001565776; BRD-A75273200-001-06-5; 9-(3,5-Dimethoxy-4-hydroxyphenyl)-2H,9H-1,3,5,7-tetraoxadicyclopenta[b,g]naphthalen-8(6H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669380	.	.	.	.	384.3	C20H16O8	92.7	649	2.3	28	1	8	3	"InChI=1S/C20H16O8/c1-23-14-3-9(4-15(24-2)19(14)21)17-10-5-12-13(27-8-26-12)6-11(10)28-16-7-25-20(22)18(16)17/h3-6,17,21H,7-8H2,1-2H3"	COC1=CC(=CC(=C1O)OC)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4	HNPAUHGGUIWVHL-UHFFFAOYSA-N
DG55692	"2,6-Dimethoxy-4-(8-oxo-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-9-yl)phenyl acetate"	382067	"NSC669381; MLS002702214; 2,6-Dimethoxy-4-(8-oxo-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-9-yl)phenyl acetate; CHEMBL1707982; NSC-669381; NCI60_024199; SMR001565777; [2,6-dimethoxy-4-(oxo[ ]yl)phenyl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669381	.	.	.	.	426.4	C22H18O9	98.8	750	2.4	31	0	9	5	"InChI=1S/C22H18O9/c1-10(23)30-21-16(25-2)4-11(5-17(21)26-3)19-12-6-14-15(29-9-28-14)7-13(12)31-18-8-27-22(24)20(18)19/h4-7,19H,8-9H2,1-3H3"	CC(=O)OC1=C(C=C(C=C1OC)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4)OC	BTKOYJYYQNYTMG-UHFFFAOYSA-N
DG55693	"12-(4-Hydroxy-3,5-dimethoxyphenyl)-5,5-dimethyl-3,12-dihydro-1H-[1,3]dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-one"	382068	"NSC669382; 12-(4-Hydroxy-3,5-dimethoxyphenyl)-5,5-dimethyl-3,12-dihydro-1H-[1,3]dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-one; CHEMBL1992658; NSC-669382; NCI60_024200; (4-hydroxy-3,5-dimethoxy-phenyl)-dimethyl-[ ]one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669382	.	.	.	.	442.4	C23H22O9	102	751	3.2	32	1	9	3	"InChI=1S/C23H22O9/c1-23(2)31-13-8-15-14(29-10-30-15)7-12(13)19(20-18(32-23)9-28-22(20)25)11-5-16(26-3)21(24)17(6-11)27-4/h5-8,19,24H,9-10H2,1-4H3"	CC1(OC2=C(C(C3=CC4=C(C=C3O1)OCO4)C5=CC(=C(C(=C5)OC)O)OC)C(=O)OC2)C	RATAWNZIHFKITP-UHFFFAOYSA-N
DG55694	"12-(4-Methoxyphenyl)-5,5-dimethyl-3,12-dihydro-1H-[1,3]dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-one"	382070	"NSC669384; 12-(4-Methoxyphenyl)-5,5-dimethyl-3,12-dihydro-1H-[1,3]dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-one; CHEMBL1997920; (4-methoxyphenyl)-dimethyl-[ ]one; NSC-669384; NCI60_024202"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669384	.	.	.	.	396.4	C22H20O7	72.4	679	3.5	29	0	7	2	"InChI=1S/C22H20O7/c1-22(2)28-15-9-17-16(26-11-27-17)8-14(15)19(12-4-6-13(24-3)7-5-12)20-18(29-22)10-25-21(20)23/h4-9,19H,10-11H2,1-3H3"	CC1(OC2=C(C(C3=CC4=C(C=C3O1)OCO4)C5=CC=C(C=C5)OC)C(=O)OC2)C	DZUFSKZKHQBCJI-UHFFFAOYSA-N
DG55695	7-chloro-3-methyl-2-phenyl-1H-quinolin-4-one	382086	NSC669445; CHEMBL1974667; NSC-669445; NCI60_024216	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669445	.	.	.	.	269.72	C16H12ClNO	29.1	398	4.2	19	1	2	1	"InChI=1S/C16H12ClNO/c1-10-15(11-5-3-2-4-6-11)18-14-9-12(17)7-8-13(14)16(10)19/h2-9H,1H3,(H,18,19)"	CC1=C(NC2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3	KGJFHFHVLMPARI-UHFFFAOYSA-N
DG55696	"4(1H)-Quinolinone, 3-ethyl-2-phenyl-"	382087	"3-ethyl-2-phenylquinolin-4(1H)-one; 141259-09-8; 4(1H)-Quinolinone, 3-ethyl-2-phenyl-; NSC669446; CHEMBL1997910; DTXSID20327600; NSC-669446; NCI60_024217"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669446	.	.	.	.	249.31	C17H15NO	29.1	379	4	19	1	2	2	"InChI=1S/C17H15NO/c1-2-13-16(12-8-4-3-5-9-12)18-15-11-7-6-10-14(15)17(13)19/h3-11H,2H2,1H3,(H,18,19)"	CCC1=C(NC2=CC=CC=C2C1=O)C3=CC=CC=C3	QEBSZHCSPHULQD-UHFFFAOYSA-N
DG55697	"2-Phenylbenzotriazole-4,5-dione oxime"	382089	"NSC669448; CHEMBL1966258; 2-phenylbenzotriazole-4,5-dione oxime; NSC-669448; NCI60_024219; 2-Phenyl-2H-1,2,3-benzotriazole-4,5-dione dioxime"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669448	.	.	.	.	255.23	C12H9N5O2	92.4	323	2.7	19	2	6	2	"InChI=1S/C12H9N5O2/c18-15-10-7-6-9-11(12(10)16-19)14-17(13-9)8-4-2-1-3-5-8/h1-7,15,18H"	C1=CC=C(C=C1)N2N=C3C=CC(=C(C3=N2)N=O)NO	JCKOLZBILBFJDI-UHFFFAOYSA-N
DG55698	"7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide"	382096	"NSC669455; 7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide; NSC-669455; CHEMBL1288282; C12H6N6O4; ZINC1643220; STK526849; AKOS005460261; NCI60_024226; 7-(4-nitrophenyl)-3-oxido-triazolo[4,5-g][2,1,3]benzoxadiazol-3-ium; 371226-40-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669455	.	.	.	.	298.21	C12H6N6O4	128	440	2.6	22	0	7	1	InChI=1S/C12H6N6O4/c19-17(20)8-3-1-7(2-4-8)16-13-9-5-6-10-12(11(9)14-16)15-22-18(10)21/h1-6H	C1=CC(=CC=C1N2N=C3C=CC4=[N+](ON=C4C3=N2)[O-])[N+](=O)[O-]	UPAMUXWAWYUUJZ-UHFFFAOYSA-N
DG55699	"7-(2,4-Dinitrophenyl)-3,8-dioxido-triazolo[4,5-g][2,1,3]benzoxadiazole-3,8-diium"	382097	"NSC669456; CHEMBL2006671; ZINC6001917; NSC-669456; NCI60_024227; 7-(2,4-dinitrophenyl)-3,8-dioxido-triazolo[4,5-g][2,1,3]benzoxadiazole-3,8-diium; 7-(2,4-Bis(hydroxy(oxido)amino)phenyl)-7H-3.lambda.~5~,8.lambda.~5~-[1,2,3]triazolo[5,4-g][2,1,3]benzoxadiazole-3,8-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669456	.	.	.	.	359.21	C12H5N7O7	186	585	2.7	26	0	9	1	InChI=1S/C12H5N7O7/c20-16-12-7(2-4-9-11(12)14-26-19(9)25)13-15(16)8-3-1-6(17(21)22)5-10(8)18(23)24/h1-5H	C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2N=C3C=CC4=[N+](ON=C4C3=[N+]2[O-])[O-]	SSTNXBWNABSLGO-UHFFFAOYSA-N
DG55700	"2-(1-(Methoxymethyl)-1H-pyrazol-4-yl)-3,5,6-trimethylbenzo-1,4-quinone"	382100	"NSC669459; 2-(1-(Methoxymethyl)-1H-pyrazol-4-yl)-3,5,6-trimethylbenzo-1,4-quinone; CHEMBL1965712; NSC-669459; NCI60_024230; 2-[1-(methoxymethyl)pyrazol-4-yl]-3,5,6-trimethyl-1,4-benzoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669459	.	.	.	.	260.29	C14H16N2O3	61.2	491	1	19	0	4	3	"InChI=1S/C14H16N2O3/c1-8-9(2)14(18)12(10(3)13(8)17)11-5-15-16(6-11)7-19-4/h5-6H,7H2,1-4H3"	CC1=C(C(=O)C(=C(C1=O)C)C2=CN(N=C2)COC)C	NSVITLWGSHBBRK-UHFFFAOYSA-N
DG55701	"7-Chloro-4-methyl-5-[[2-[(2-hydroxyethyl)amino]ethyl]amino]pyrimido[4,5-b]quinolin-2-ol"	382104	"NSC669468; CHEMBL2006009; NSC-669468; NCI60_024233; 7-Chloro-4-methyl-5-[[2-[(2-hydroxyethyl)amino]ethyl]amino]pyrimido[4,5-b]quinolin-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669468	.	.	.	.	347.8	C16H18ClN5O2	98.1	758	0	24	4	4	6	"InChI=1S/C16H18ClN5O2/c1-9-13-14(19-5-4-18-6-7-23)11-8-10(17)2-3-12(11)21-15(13)22-16(24)20-9/h2-3,8,18,23H,4-7H2,1H3,(H2,19,20,21,22,24)"	CC1=C2C(=C3C=C(C=CC3=NC2=NC(=O)N1)Cl)NCCNCCO	SLKCWKBBDDVNSH-UHFFFAOYSA-N
DG55702	"7-Chloro-4-methyl-5-[bis(2-hydroxyethyl)amino]pyrimido[4,5-b]quinolin-2-ol"	382105	"NSC669469; CHEMBL1995044; NSC-669469; NCI60_024234; 7-Chloro-4-methyl-5-[bis(2-hydroxyethyl)amino]pyrimido[4,5-b]quinolin-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669469	.	.	.	.	348.78	C16H17ClN4O3	97.5	768	-0.1	24	3	4	5	"InChI=1S/C16H17ClN4O3/c1-9-13-14(21(4-6-22)5-7-23)11-8-10(17)2-3-12(11)19-15(13)20-16(24)18-9/h2-3,8,22-23H,4-7H2,1H3,(H,18,19,20,24)"	CC1=C2C(=C3C=C(C=CC3=NC2=NC(=O)N1)Cl)N(CCO)CCO	GZQLDKSXDHRMRM-UHFFFAOYSA-N
DG55703	"11,23-Difluoro-1,9,13,21-tetrazatricyclo[19.3.1.19,13]hexacosa-11,22-diene-10,24,25,26-tetrone"	382107	"NSC669471; difluoro[ ]tetrone; CHEMBL1986583; NSC-669471; NCI60_024236; 11,23-Difluoro-1,9,13,21-tetraazatricyclo[19.3.1.1~9,13~]hexacosa-11,22-diene-10,24,25,26-tetrone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669471	.	.	.	.	452.5	C22H30F2N4O4	81.2	750	2.9	32	0	6	0	"InChI=1S/C22H30F2N4O4/c23-17-15-25-11-7-3-1-4-8-12-26-16-18(24)20(30)28(22(26)32)14-10-6-2-5-9-13-27(19(17)29)21(25)31/h15-16H,1-14H2"	C1CCCN2C=C(C(=O)N(C2=O)CCCCCCCN3C(=O)C(=CN(C3=O)CCC1)F)F	SRRSHKJVEYSPPG-UHFFFAOYSA-N
DG55704	"2,6-Dimethyl-4-[3-(hydroxyamino)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester"	382109	"NSC669502; CHEMBL1971403; NSC-669502; NCI60_024238; 2,6-Dimethyl-4-[3-(hydroxyamino)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669502	.	.	.	.	332.4	C17H20N2O5	96.9	544	2.2	24	3	7	6	"InChI=1S/C17H20N2O5/c1-9-13(16(20)23-3)15(11-6-5-7-12(8-11)19-22)14(10(2)18-9)17(21)24-4/h5-8,15,18-19,22H,1-4H3"	CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)NO)C(=O)OC	MHNQRBYYLUUMAW-UHFFFAOYSA-N
DG55705	"Dimethyl 4-[4-(hydroxyamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate"	382110	NSC669503; CHEMBL1993404; NSC-669503; NCI60_024239	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669503	.	.	.	.	332.4	C17H20N2O5	96.9	536	2.2	24	3	7	6	"InChI=1S/C17H20N2O5/c1-9-13(16(20)23-3)15(11-5-7-12(19-22)8-6-11)14(10(2)18-9)17(21)24-4/h5-8,15,18-19,22H,1-4H3"	CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)NO)C(=O)OC	BUYFDAIASOOGAZ-UHFFFAOYSA-N
DG55706	"2,6-Dimethyl-4-(3-nitrosophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester"	382111	"NSC669504; CHEMBL2002286; NSC-669504; NCI60_024240; 2,6-Dimethyl-4-(3-nitrosophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669504	.	.	.	.	330.33	C17H18N2O5	94.1	570	2.1	24	1	7	5	"InChI=1S/C17H18N2O5/c1-9-13(16(20)23-3)15(11-6-5-7-12(8-11)19-22)14(10(2)18-9)17(21)24-4/h5-8,15,18H,1-4H3"	CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)N=O)C(=O)OC	WWXRWOZVVFUXSG-UHFFFAOYSA-N
DG55707	"4-(4-Nitrosophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylic acid dimethyl ester"	382112	"NSC669505; CHEMBL1987475; NSC-669505; NCI60_024241; 4-(4-Nitrosophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylic acid dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669505	.	.	.	.	330.33	C17H18N2O5	94.1	562	2.1	24	1	7	5	"InChI=1S/C17H18N2O5/c1-9-13(16(20)23-3)15(11-5-7-12(19-22)8-6-11)14(10(2)18-9)17(21)24-4/h5-8,15,18H,1-4H3"	CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)N=O)C(=O)OC	CRWKDQMPVPDWDH-UHFFFAOYSA-N
DG55708	"Methyl 4-[3-(hydroxyamino)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate"	382113	NSC669506; CHEMBL1996627; NSC-669506; NCI60_024242	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669506	.	.	.	.	319.31	C15H17N3O5	116	564	2.2	23	3	7	4	"InChI=1S/C15H17N3O5/c1-8-12(15(19)23-3)13(14(18(21)22)9(2)16-8)10-5-4-6-11(7-10)17-20/h4-7,13,16-17,20H,1-3H3"	CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC(=CC=C2)NO)C(=O)OC	FHTZFTCYIJCKJC-UHFFFAOYSA-N
DG55709	NSC669508	382115	"2,6-Dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid 3-isopropyl 5-[2-(4-nitrophenyl)ethyl] ester; NSC669508; CHEMBL1967571; NSC-669508; NCI60_024244; 2,6-Dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid 3-isopropyl 5-[2-(4-nitrophenyl)ethyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669508	.	.	.	.	532.5	C27H27F3N2O6	110	961	6	38	1	10	9	"InChI=1S/C27H27F3N2O6/c1-15(2)38-26(34)23-17(4)31-16(3)22(24(23)20-7-5-6-8-21(20)27(28,29)30)25(33)37-14-13-18-9-11-19(12-10-18)32(35)36/h5-12,15,24,31H,13-14H2,1-4H3"	CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC=C2C(F)(F)F)C(=O)OCCC3=CC=C(C=C3)[N+](=O)[O-]	GSEUCWFCVYVUCS-UHFFFAOYSA-N
DG55710	NSC669509	382116	"5-O-(1,3-dinitrooxypropan-2-yl) 3-O-propan-2-yl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate; NSC669509; CHEMBL2005678; NSC-669509; NCI60_024245"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669509	.	.	.	.	547.4	C22H24F3N3O10	175	967	4.8	38	1	14	11	"InChI=1S/C22H24F3N3O10/c1-11(2)37-20(29)17-12(3)26-13(4)18(19(17)15-7-5-6-8-16(15)22(23,24)25)21(30)38-14(9-35-27(31)32)10-36-28(33)34/h5-8,11,14,19,26H,9-10H2,1-4H3"	CC1=C(C(C(=C(N1)C)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC(C)C	WNRRBZBUCDCTFP-UHFFFAOYSA-N
DG55711	"2,6-Dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-isopropyl 5-[2-(4-nitrophenyl)ethyl] ester"	382118	"NSC669511; CHEMBL1999997; NSC-669511; NCI60_024247; 2,6-Dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-isopropyl 5-[2-(4-nitrophenyl)ethyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669511	.	.	.	.	509.5	C26H27N3O8	156	954	4.5	37	1	9	9	"InChI=1S/C26H27N3O8/c1-15(2)37-26(31)23-17(4)27-16(3)22(24(23)20-7-5-6-8-21(20)29(34)35)25(30)36-14-13-18-9-11-19(12-10-18)28(32)33/h5-12,15,24,27H,13-14H2,1-4H3"	CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCC3=CC=C(C=C3)[N+](=O)[O-]	ZVBMOPMHERFLOD-UHFFFAOYSA-N
DG55712	"3-O-(2-nitrooxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	382120	NSC669513; CHEMBL1988047; SCHEMBL10823999; NSC-669513; NCI60_024249	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669513	.	.	.	.	449.4	C20H23N3O9	166	823	3.5	32	1	10	9	"InChI=1S/C20H23N3O9/c1-11(2)32-20(25)17-13(4)21-12(3)16(19(24)30-8-9-31-23(28)29)18(17)14-6-5-7-15(10-14)22(26)27/h5-7,10-11,18,21H,8-9H2,1-4H3"	CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCO[N+](=O)[O-]	HMBFMVGEQHJWAS-UHFFFAOYSA-N
DG55713	"2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-isopropyl 5-[2-(4-nitrophenyl)ethyl] ester"	382121	"NSC669514; CHEMBL1982749; NSC-669514; NCI60_024250; 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-isopropyl 5-[2-(4-nitrophenyl)ethyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669514	.	.	.	.	509.5	C26H27N3O8	156	954	5	37	1	9	9	"InChI=1S/C26H27N3O8/c1-15(2)37-26(31)23-17(4)27-16(3)22(24(23)19-6-5-7-21(14-19)29(34)35)25(30)36-13-12-18-8-10-20(11-9-18)28(32)33/h5-11,14-15,24,27H,12-13H2,1-4H3"	CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCC3=CC=C(C=C3)[N+](=O)[O-]	DRXCGOGFDBUTAC-UHFFFAOYSA-N
DG55714	"5-O-(1,3-dinitrooxypropan-2-yl) 3-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	382122	NSC669515; CHEMBL1974968; NSC-669515; NCI60_024251	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669515	.	.	.	.	524.4	C21H24N4O12	221	958	3.8	37	1	13	11	"InChI=1S/C21H24N4O12/c1-11(2)36-20(26)17-12(3)22-13(4)18(19(17)14-6-5-7-15(8-14)23(28)29)21(27)37-16(9-34-24(30)31)10-35-25(32)33/h5-8,11,16,19,22H,9-10H2,1-4H3"	CC1=C(C(C(=C(N1)C)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C	INQDEGAFKNEOHH-UHFFFAOYSA-N
DG55715	"Methyl 2,6-dimethyl-5-nitro-4-(3-nitrosophenyl)-1,4-dihydropyridine-3-carboxylate"	382123	NSC669516; CHEMBL1986668; NSC-669516; NCI60_024252	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669516	.	.	.	.	317.3	C15H15N3O5	114	590	2	23	1	7	3	"InChI=1S/C15H15N3O5/c1-8-12(15(19)23-3)13(14(18(21)22)9(2)16-8)10-5-4-6-11(7-10)17-20/h4-7,13,16H,1-3H3"	CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC(=CC=C2)N=O)C(=O)OC	WAROSOGFGCWFCZ-UHFFFAOYSA-N
DG55716	"Methyl 5-(hydroxyamino)-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate"	382124	NSC669517; CHEMBL1989469; NSC-669517; NCI60_024253	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669517	.	.	.	.	340.3	C16H15F3N2O3	71.4	447	3.5	24	2	8	4	"InChI=1S/C16H15F3N2O3/c1-8-12(15(22)24-3)13(14(21-23)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,21,23H,1-3H3"	CC1=C(C(=C(C(=N1)C)NO)C2=CC=CC=C2C(F)(F)F)C(=O)OC	WLHISASHDPFJLT-UHFFFAOYSA-N
DG55717	"Methyl 2,6-dimethyl-5-nitroso-4-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate"	382125	NSC669518; CHEMBL1989926; NI-72; NSC-669518; NCI60_024254	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669518	.	.	.	.	338.28	C16H13F3N2O3	68.6	472	3.4	24	0	8	3	"InChI=1S/C16H13F3N2O3/c1-8-12(15(22)24-3)13(14(21-23)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7H,1-3H3"	CC1=C(C(=C(C(=N1)C)N=O)C2=CC=CC=C2C(F)(F)F)C(=O)OC	VRENOHNRRMYDOZ-UHFFFAOYSA-N
DG55718	"Diethyl 2-(3,4-dimethoxyphenyl)-1-((diphenylmethylene)amino)ethylphosphonate"	382131	"NSC669577; MLS003389258; Diethyl 2-(3,4-dimethoxyphenyl)-1-((diphenylmethylene)amino)ethylphosphonate; CHEMBL1980336; NSC-669577; NCI60_024257; SMR002048915; N-[1-diethoxyphosphoryl-2-(3,4-dimethoxyphenyl)ethyl]-1,1-diphenyl-methanimine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669577	.	.	.	.	481.5	C27H32NO5P	66.4	629	5.4	34	0	6	12	"InChI=1S/C27H32NO5P/c1-5-32-34(29,33-6-2)26(20-21-17-18-24(30-3)25(19-21)31-4)28-27(22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-19,26H,5-6,20H2,1-4H3"	CCOP(=O)(C(CC1=CC(=C(C=C1)OC)OC)N=C(C2=CC=CC=C2)C3=CC=CC=C3)OCC	BNLONRUWFBDFIE-UHFFFAOYSA-N
DG55719	"[1-Amino-2-(3,4-dihydroxyphenyl)ethyl]phosphonic acid"	382133	"NSC669579; 1-Amino-2-(3,4-dihydroxyphenyl)ethylphosphonic acid; [1-amino-2-(3,4-dihydroxyphenyl)ethyl]phosphonic acid; CHEMBL1974274; NSC-669579; NCI60_024259; (alpha-Amino-3,4-dihydroxyphenethyl)phosphonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669579	.	.	.	.	233.16	C8H12NO5P	124	255	-4.9	15	5	6	3	"InChI=1S/C8H12NO5P/c9-8(15(12,13)14)4-5-1-2-6(10)7(11)3-5/h1-3,8,10-11H,4,9H2,(H2,12,13,14)"	C1=CC(=C(C=C1CC(N)P(=O)(O)O)O)O	IKXXVDZMRIWEMJ-UHFFFAOYSA-N
DG55720	Dibenzyl 2-(3-(4-(benzyloxy)anilino)-3-oxopropyl)malonate	382145	NSC669589; Dibenzyl 2-(3-(4-(benzyloxy)anilino)-3-oxopropyl)malonate; CHEMBL1989472; ZINC6002002; NSC-669589; NCI60_024269; dibenzyl 2-[3-(4-benzyloxyanilino)-3-oxo-propyl]propanedioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669589	.	.	.	.	537.6	C33H31NO6	90.9	727	5.8	40	1	6	15	"InChI=1S/C33H31NO6/c35-31(34-28-16-18-29(19-17-28)38-22-25-10-4-1-5-11-25)21-20-30(32(36)39-23-26-12-6-2-7-13-26)33(37)40-24-27-14-8-3-9-15-27/h1-19,30H,20-24H2,(H,34,35)"	C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CCC(C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4	OLHZWRVKHSBGKN-UHFFFAOYSA-N
DG55721	(1-((4-Methylphenyl)sulfonyl)-1H-imidazol-5-yl)methyl acetate	382152	NSC669598; (1-((4-Methylphenyl)sulfonyl)-1H-imidazol-5-yl)methyl acetate; CHEMBL1986434; SCHEMBL11272431; 5-acetoxymethyl-1-tosylimidazole; 5-acetyloxymethyl-1-tosylimidazole; NSC-669598; NCI60_024276; [3-(p-tolylsulfonyl)imidazol-4-yl]methyl acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669598	.	.	.	.	294.33	C13H14N2O4S	86.6	438	1.3	20	0	5	5	"InChI=1S/C13H14N2O4S/c1-10-3-5-13(6-4-10)20(17,18)15-9-14-7-12(15)8-19-11(2)16/h3-7,9H,8H2,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)N2C=NC=C2COC(=O)C	AXLRKQHOEWAMSP-UHFFFAOYSA-N
DG55722	"Ethyl 4-benzyl-5-oxo-2,6,6-triphenyl-4-azaspiro[2.3]hex-1-ene-1-carboxylate"	382155	"NSC669602; Ethyl 4-benzyl-5-oxo-2,6,6-triphenyl-4-azaspiro[2.3]hex-1-ene-1-carboxylate; CHEMBL1990697; NSC-669602; ethyl 6-benzyl-5-oxo-1,4,4-triphenyl-6-azaspiro[2.3]hex-1-ene-2-carboxylate; NCI60_024277"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669602	.	.	.	.	485.6	C33H27NO3	46.6	865	5.5	37	0	3	8	"InChI=1S/C33H27NO3/c1-2-37-30(35)29-28(25-17-9-4-10-18-25)33(29)32(26-19-11-5-12-20-26,27-21-13-6-14-22-27)31(36)34(33)23-24-15-7-3-8-16-24/h3-22H,2,23H2,1H3"	CCOC(=O)C1=C(C12C(C(=O)N2CC3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6	GZJNYEUKGUHGKM-UHFFFAOYSA-N
DG55723	"2,5,9,12-Tetrathia-14,15-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene"	382156	"NSC669604; 2,5,9,12-Tetrathia-14,15-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene; CHEMBL1981024; ZINC6002017; NSC-669604; NCI60_024279; 2,5,9,12-tetrathia-14,15-diazabicyclo[11.2.2]heptadeca-1(16),13(17),14-triene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669604	.	.	.	.	304.5	C11H16N2S4	127	186	3	17	0	6	0	"InChI=1S/C11H16N2S4/c1-4-14-6-8-16-10-2-3-11(13-12-10)17-9-7-15-5-1/h2-3H,1,4-9H2"	C1CSCCSC2=NN=C(C=C2)SCCSC1	QEVNNLDUBMYMAE-UHFFFAOYSA-N
DG55724	"1,13-Azo-6H-2,5,9,12-benzotetrathiacyclopentadecin, 3,4,7,8,10,11-hexahydro-"	382159	"NSC669607; CHEMBL1979191; NSC-669607; 1,13-Azo-6H-2,5,9,12-benzotetrathiacyclopentadecin, 3,4,7,8,10,11-hexahydro-; NCI60_024282"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669607	.	.	.	.	354.6	C15H18N2S4	127	277	4.2	21	0	6	0	"InChI=1S/C15H18N2S4/c1-2-5-13-12(4-1)14-16-17-15(13)21-11-9-19-7-3-6-18-8-10-20-14/h1-2,4-5H,3,6-11H2"	C1CSCCSC2=NN=C(C3=CC=CC=C32)SCCSC1	MUJRDKQOTLHNFE-UHFFFAOYSA-N
DG55725	benzyl N-[1-dimethoxyphosphoryl-2-(1H-indol-3-yl)ethyl]carbamate	382175	NSC669634; Dimethyl 1-(((benzyloxy)carbonyl)amino)-2-(1H-indol-3-yl)ethylphosphonate; SCHEMBL9068979; CHEMBL1977913; benzyl N-[1-dimethoxyphosphoryl-2-(1H-indol-3-yl)ethyl]carbamate; NSC-669634; NCI60_024297	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669634	.	.	.	.	402.4	C20H23N2O5P	89.6	547	2.9	28	2	5	9	"InChI=1S/C20H23N2O5P/c1-25-28(24,26-2)19(12-16-13-21-18-11-7-6-10-17(16)18)22-20(23)27-14-15-8-4-3-5-9-15/h3-11,13,19,21H,12,14H2,1-2H3,(H,22,23)"	COP(=O)(C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3)OC	JNPODQMCWPFDKV-UHFFFAOYSA-N
DG55726	1-Trityl-1H-imidazole-4-methanol	382182	"1-Trityl-1H-imidazole-4-methanol; 33769-07-2; (1-Trityl-1H-imidazol-4-yl)methanol; (1-tritylimidazol-4-yl)methanol; 1-Trityl-imidozole-4-methanol; NSC669641; 4-(HYDROXYMETHYL)-1-TRITYL-1H-IMIDAZOLE; Imidazole-5-methanol, 3-trityl-; 4-Hydroxymethyl-1H-tritylimidazole; SCHEMBL1342; CHEMBL2005885; 4-hydroxymethyl-1-tritylimidazole; DTXSID60327604; 1-trityl-4-hydroxymethyl-imidazole; BCP06613; ZINC4198750; 4-(Hydroxymethyl)-1-tritylimidazole; MFCD02179553; AKOS015915224; Imidazole, 4-hydroxymethyl-1-trityl-; (1-trityl-1H-imidazole-4-yl)methanol; 1-trityl-4-hydroxymethyl-1H-imidazole; 4-hydroxymethyl-1-trityl-1H-imidazole; AB11336; NSC-669641; (1-trityl-1H-imidazol-4-yl)-methanol; (1-Trityl-1H-imidazol-4-yl)methanol #; 4-Hydroxymethyl-1-triphenylmethylimidazole; AC-12612; AM803721; NCI60_024303; PS-10989; 3-Bromomethyl-5-methyl[1,2,4]oxadiazole; 1-Triphenylmethyl-4-(hydroxymethyl)imidazol; 4-Hydroxymethyl-1-triphenylmethyl-imidazole; DB-019349; 1-triphenylmethyl-4-(hydroxymethyl)imidazole; CS-0045285; FT-0639128; X6255; 1-Triphenylmethyl-4-(hydroxvmethyl)-imidazole; 1-triphenylmethyl-4-(hydroxymethyl) imidazole; 1-triphenylmethyl-4-(hydroxymethyl)-imidazole; 4-(hydroxymethyl)-1-(triphenylmethyl)imidazole; A821939; 1-(TRIPHENYLMETHYL)-1H-IMIDAZOLE-4-METHANOL; J-500499"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669641	.	.	.	.	340.4	C23H20N2O	38	376	3.9	26	1	2	5	"InChI=1S/C23H20N2O/c26-17-22-16-25(18-24-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-16,18,26H,17H2"	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)CO	DVQYFYUODSFBFS-UHFFFAOYSA-N
DG55727	tert-Butyl 2-(2-(aminocarbonyl)-1-pyrrolidinyl)-1-benzyl-2-oxoethylcarbamate	382197	NSC669656; tert-Butyl 2-(2-(aminocarbonyl)-1-pyrrolidinyl)-1-benzyl-2-oxoethylcarbamate; SCHEMBL6412059; CHEMBL2004762; NSC-669656; NCI60_024317; tert-butyl N-[1-benzyl-2-(2-carbamoylpyrrolidin-1-yl)-2-oxo-ethyl]carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669656	.	.	.	.	361.4	C19H27N3O4	102	523	1.9	26	2	4	7	"InChI=1S/C19H27N3O4/c1-19(2,3)26-18(25)21-14(12-13-8-5-4-6-9-13)17(24)22-11-7-10-15(22)16(20)23/h4-6,8-9,14-15H,7,10-12H2,1-3H3,(H2,20,23)(H,21,25)"	CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)N	CAOGSKOCNQRIOG-UHFFFAOYSA-N
DG55728	3-(1-Adamantyl)-2-((1-phenylethyl)amino)propanenitrile	382213	NSC669671; 3-(1-Adamantyl)-2-((1-phenylethyl)amino)propanenitrile; 3-(1-adamantyl)-2-(1-phenylethylamino)propanenitrile; CHEMBL1986302; NSC-669671; NCI60_024332	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669671	.	.	.	.	308.5	C21H28N2	35.8	426	5.3	23	1	2	5	"InChI=1S/C21H28N2/c1-15(19-5-3-2-4-6-19)23-20(14-22)13-21-10-16-7-17(11-21)9-18(8-16)12-21/h2-6,15-18,20,23H,7-13H2,1H3"	CC(C1=CC=CC=C1)NC(CC23CC4CC(C2)CC(C4)C3)C#N	ZFTNCQDAADYNFW-UHFFFAOYSA-N
DG55729	Benzyl 3-(((benzyloxy)carbonyl)amino)-4-(4-cyanoanilino)-4-oxobutanoate	382220	NSC669677; Benzyl 3-(((benzyloxy)carbonyl)amino)-4-(4-cyanoanilino)-4-oxobutanoate; CHEMBL1999030; NSC-669677; NCI60_024338; benzyl 3-(benzyloxycarbonylamino)-4-(4-cyanoanilino)-4-oxo-butanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669677	.	.	.	.	457.5	C26H23N3O5	118	713	3.4	34	2	6	11	"InChI=1S/C26H23N3O5/c27-16-19-11-13-22(14-12-19)28-25(31)23(15-24(30)33-17-20-7-3-1-4-8-20)29-26(32)34-18-21-9-5-2-6-10-21/h1-14,23H,15,17-18H2,(H,28,31)(H,29,32)"	C1=CC=C(C=C1)COC(=O)CC(C(=O)NC2=CC=C(C=C2)C#N)NC(=O)OCC3=CC=CC=C3	OBUAVCXMMQVBFH-UHFFFAOYSA-N
DG55730	Methyl 2-((4-tert-butoxy-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)-4-pentenoate	382221	NSC669678; Methyl 2-((4-tert-butoxy-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)-4-pentenoate; CHEMBL1970799; NSC-669678; NCI60_024339; methyl 2-[[4-tert-butoxy-2-(tert-butoxycarbonylamino)-4-oxo-butanoyl]amino]pent-4-enoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669678	.	.	.	.	400.5	C19H32N2O7	120	588	2.2	28	2	7	13	"InChI=1S/C19H32N2O7/c1-9-10-12(16(24)26-8)20-15(23)13(11-14(22)27-18(2,3)4)21-17(25)28-19(5,6)7/h9,12-13H,1,10-11H2,2-8H3,(H,20,23)(H,21,25)"	CC(C)(C)OC(=O)CC(C(=O)NC(CC=C)C(=O)OC)NC(=O)OC(C)(C)C	KMTAWRUJHTUACP-UHFFFAOYSA-N
DG55731	1-Amino-3-(methylthio)propyl(methyl)phosphinic acid	382225	"NSC669681; 1-Amino-3-(methylthio)propyl(methyl)phosphinic acid; NSC-669681; CHEMBL1978113; NCI60_024342; (1-amino-3-methylsulfanyl-propyl)-methyl-phosphinic acid; Phosphinic acid, [1-amino-(3-methylthio)propyl]methyl-; Phosphinic acid, {[1-amino-(3-methylthio)propyl]methyl-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669681	.	.	.	.	183.21	C5H14NO2PS	88.6	142	-3.2	10	2	4	4	"InChI=1S/C5H14NO2PS/c1-9(7,8)5(6)3-4-10-2/h5H,3-4,6H2,1-2H3,(H,7,8)"	CP(=O)(C(CCSC)N)O	OUQYPJOGYALLBV-UHFFFAOYSA-N
DG55732	Amino(phenyl)methyl(methyl)phosphinic acid	382237	"NSC669691; Phosphinic acid, (aminophenylmethyl)methyl-; Amino(phenyl)methyl(methyl)phosphinic acid; CHEMBL1984942; SCHEMBL11034382; NSC-669691; Methyl(alpha-aminobenzyl)phosphinic acid; NCI60_024352; [amino(phenyl)methyl]-methyl-phosphinic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669691	.	.	.	.	185.16	C8H12NO2P	63.3	190	-2.7	12	2	3	2	"InChI=1S/C8H12NO2P/c1-12(10,11)8(9)7-5-3-2-4-6-7/h2-6,8H,9H2,1H3,(H,10,11)"	CP(=O)(C(C1=CC=CC=C1)N)O	CCRZRZMDDQTEAH-UHFFFAOYSA-N
DG55733	"6-Thiocyanatohexa-1,5-diynyl thiocyanate"	382245	"NSC669700; Thiocyanic acid, 1,5-hexadiyne-1,6-diyl ester; 6-thiocyanatohexa-1,5-diynyl thiocyanate; hexa-1,5-diyne-1,6-diyl bis(thiocyanate); CHEMBL1968571; NSC-669700; NCI60_024358"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669700	.	.	.	.	192.3	C8H4N2S2	98.2	315	3.2	12	0	4	3	InChI=1S/C8H4N2S2/c9-7-11-5-3-1-2-4-6-12-8-10/h1-2H2	C(CC#CSC#N)C#CSC#N	CSIXXMVWGHPMTG-UHFFFAOYSA-N
DG55734	Benzyl 2-[[2-(tert-butoxycarbonylamino)-3-[4-(6-oxoheptanoylamino)phenyl]propanoyl]amino]acetate	382246	NSC669701; CHEMBL1999754; NSC-669701; NCI60_024359; Benzyl ((2-((tert-butoxycarbonyl)amino)-3-(4-((6-oxoheptanoyl)amino)phenyl)propanoyl)amino)acetate; benzyl 2-[[2-(tert-butoxycarbonylamino)-3-[4-(6-oxoheptanoylamino)phenyl]propanoyl]amino]acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669701	.	.	.	.	553.6	C30H39N3O7	140	841	3.2	40	3	7	17	"InChI=1S/C30H39N3O7/c1-21(34)10-8-9-13-26(35)32-24-16-14-22(15-17-24)18-25(33-29(38)40-30(2,3)4)28(37)31-19-27(36)39-20-23-11-6-5-7-12-23/h5-7,11-12,14-17,25H,8-10,13,18-20H2,1-4H3,(H,31,37)(H,32,35)(H,33,38)"	CC(=O)CCCCC(=O)NC1=CC=C(C=C1)CC(C(=O)NCC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C	IFMQUVIQCQQGNB-UHFFFAOYSA-N
DG55735	[2-(Benzyloxycarbonylamino)-2-methyl-propanoyl] 2-(benzyloxycarbonylamino)-2-methyl-propanoate	382258	NSC669713; CHEMBL1969711; ZINC73280390; NSC-669713; NCI60_024371; 1-(((Benzyloxy)carbonyl)amino)-1-methylpropanoic anhydride; [2-(benzyloxycarbonylamino)-2-methyl-propanoyl] 2-(benzyloxycarbonylamino)-2-methyl-propanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669713	.	.	.	.	456.5	C24H28N2O7	120	635	3.6	33	2	7	12	"InChI=1S/C24H28N2O7/c1-23(2,25-21(29)31-15-17-11-7-5-8-12-17)19(27)33-20(28)24(3,4)26-22(30)32-16-18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3,(H,25,29)(H,26,30)"	CC(C)(C(=O)OC(=O)C(C)(C)NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2	WMDKFTLDWRRKMB-UHFFFAOYSA-N
DG55736	"2-(Benzyloxy)-4-isobutyl-1,3-oxazol-5(4H)-one"	382265	"NSC669718; 2-(Benzyloxy)-4-isobutyl-1,3-oxazol-5(4H)-one; CHEMBL1977481; NSC-669718; 2-benzyloxy-4-isobutyl-4H-oxazol-5-one; NCI60_024376"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669718	.	.	.	.	247.29	C14H17NO3	47.9	319	3.4	18	0	4	5	"InChI=1S/C14H17NO3/c1-10(2)8-12-13(16)18-14(15-12)17-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3"	CC(C)CC1C(=O)OC(=N1)OCC2=CC=CC=C2	XYXGMKISONCBJW-UHFFFAOYSA-N
DG55737	2-((Dimethylamino)methyl)-6-(1-piperidinylmethyl)cyclohexanone	382273	"NSC38534; 6333-28-4; NSC669731; 2-((Dimethylamino)methyl)-6-(1-piperidinylmethyl)cyclohexanone; NSC 38534; CHEMBL2009740; NCI60_003681; 2-(dimethylaminomethyl)-6-(1-piperidylmethyl)cyclohexanone; 2-[(Dimethylamino)methyl]-6-(piperidinomethyl)cyclohexanone; Cyclohexanone, 2-[(dimethylamino)methyl]-6-(1-piperidinylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38534	.	.	.	.	252.4	C15H28N2O	23.6	272	1.9	18	0	3	4	"InChI=1S/C15H28N2O/c1-16(2)11-13-7-6-8-14(15(13)18)12-17-9-4-3-5-10-17/h13-14H,3-12H2,1-2H3"	CN(C)CC1CCCC(C1=O)CN2CCCCC2	FIDWOYJZBJLWKW-UHFFFAOYSA-N
DG55738	NSC669750	382288	"Tert-butyl 3-(tert-butoxycarbonylamino)-4-[[2-[(2-methoxy-1,1-dimethyl-2-oxo-ethyl)amino]-1,1-dimethyl-2-oxo-ethyl]amino]-4-oxo-butanoate; NSC669750; CHEMBL1999722; NSC-669750; Methyl 6-(2-tert-butoxy-2-oxoethyl)-2,2,9,9,12,12-hexamethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate; NCI60_024391; tert-butyl 3-(tert-butoxycarbonylamino)-4-[[2-[(2-methoxy-1,1-dimethyl-2-oxo-ethyl)amino]-1,1-dimethyl-2-oxo-ethyl]amino]-4-oxo-butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669750	.	.	.	.	473.6	C22H39N3O8	149	761	1.6	33	3	8	13	"InChI=1S/C22H39N3O8/c1-19(2,3)32-14(26)12-13(23-18(30)33-20(4,5)6)15(27)24-21(7,8)16(28)25-22(9,10)17(29)31-11/h13H,12H2,1-11H3,(H,23,30)(H,24,27)(H,25,28)"	CC(C)(C)OC(=O)CC(C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)OC)NC(=O)OC(C)(C)C	PQBACKCLKSQGSD-UHFFFAOYSA-N
DG55739	4-(4-Nitroanilino)-3-[(4-nitrophenyl)carbamoylamino]-4-oxo-butanoic acid	382293	NSC669755; CHEMBL1964557; NSC-669755; NCI60_024395; 4-(4-nitroanilino)-3-[(4-nitrophenyl)carbamoylamino]-4-oxo-butanoic acid; 4-(4-(Hydroxy(oxido)amino)anilino)-3-(((4-(hydroxy(oxido)amino)anilino)carbonyl)amino)-4-oxobutanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669755	.	.	.	.	417.3	C17H15N5O8	199	660	1	30	4	8	6	"InChI=1S/C17H15N5O8/c23-15(24)9-14(16(25)18-10-1-5-12(6-2-10)21(27)28)20-17(26)19-11-3-7-13(8-4-11)22(29)30/h1-8,14H,9H2,(H,18,25)(H,23,24)(H2,19,20,26)"	C1=CC(=CC=C1NC(=O)C(CC(=O)O)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]	VYWQPWLXSJFYMR-UHFFFAOYSA-N
DG55740	O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate	382295	NSC669757; CHEMBL1991212; NSC-669757; NCI60_024397; FT-0774129; O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate; 4-tert-Butyl 1-(4-(hydroxy(oxido)amino)phenyl) 2-((tert-butoxycarbonyl)amino)succinate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669757	.	.	.	.	410.4	C19H26N2O8	137	607	3.1	29	1	8	10	"InChI=1S/C19H26N2O8/c1-18(2,3)28-15(22)11-14(20-17(24)29-19(4,5)6)16(23)27-13-9-7-12(8-10-13)21(25)26/h7-10,14H,11H2,1-6H3,(H,20,24)"	CC(C)(C)OC(=O)CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C	PHQSQVFTGWZWKF-UHFFFAOYSA-N
DG55741	tert-Butyl 3-((tert-butoxycarbonyl)amino)-4-((2-hydroxy-1-(methoxycarbonyl)-2-phenylethyl)amino)-4-oxobutanoate	382297	NSC669759; tert-Butyl 3-((tert-butoxycarbonyl)amino)-4-((2-hydroxy-1-(methoxycarbonyl)-2-phenylethyl)amino)-4-oxobutanoate; CHEMBL1965279; NSC-669759; NCI60_024399; tert-butyl 3-(tert-butoxycarbonylamino)-4-[[1-[hydroxy(phenyl)methyl]-2-methoxy-2-oxo-ethyl]amino]-4-oxo-butanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669759	.	.	.	.	466.5	C23H34N2O8	140	690	1.9	33	3	8	13	"InChI=1S/C23H34N2O8/c1-22(2,3)32-16(26)13-15(24-21(30)33-23(4,5)6)19(28)25-17(20(29)31-7)18(27)14-11-9-8-10-12-14/h8-12,15,17-18,27H,13H2,1-7H3,(H,24,30)(H,25,28)"	CC(C)(C)OC(=O)CC(C(=O)NC(C(C1=CC=CC=C1)O)C(=O)OC)NC(=O)OC(C)(C)C	NHCFIOGJPAMIPQ-UHFFFAOYSA-N
DG55742	Methyl 1-((4-(benzyloxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)cyclopropanecarboxylate	382318	NSC669776; Methyl 1-((4-(benzyloxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)cyclopropanecarboxylate; CHEMBL1987778; NSC-669776; NCI60_024415; methyl 1-[[4-benzyloxy-2-(tert-butoxycarbonylamino)-4-oxo-butanoyl]amino]cyclopropanecarboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669776	.	.	.	.	420.5	C21H28N2O7	120	646	1.9	30	2	7	12	"InChI=1S/C21H28N2O7/c1-20(2,3)30-19(27)22-15(17(25)23-21(10-11-21)18(26)28-4)12-16(24)29-13-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3,(H,22,27)(H,23,25)"	CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)NC2(CC2)C(=O)OC	UWMNVBLVCRDVBN-UHFFFAOYSA-N
DG55743	"Benzyl 4-((2-amino-1,1-dimethyl-2-oxoethyl)amino)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoate"	382319	"NSC669777; Benzyl 4-((2-amino-1,1-dimethyl-2-oxoethyl)amino)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoate; CHEMBL2004406; NSC-669777; NCI60_024416; benzyl 4-[(2-amino-1,1-dimethyl-2-oxo-ethyl)amino]-3-(tert-butoxycarbonylamino)-4-oxo-butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669777	.	.	.	.	407.5	C20H29N3O6	137	606	1.2	29	3	6	11	"InChI=1S/C20H29N3O6/c1-19(2,3)29-18(27)22-14(16(25)23-20(4,5)17(21)26)11-15(24)28-12-13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3,(H2,21,26)(H,22,27)(H,23,25)"	CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C)(C)C(=O)N	QCPSBURGPQYXJM-UHFFFAOYSA-N
DG55744	"1-Methyl-1,10-phenanthrolin-1-ium methanesulfonate"	382323	"NSC669793; 1-Methyl-1,10-phenanthrolin-1-ium methanesulfonate; CHEMBL1995563; NSC-669793; methanesulfonic acid; 1-methyl-1,10-phenanthrolin-1-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669793	.	.	.	.	290.34	C14H14N2O3S	82.4	308	.	20	0	4	0	"InChI=1S/C13H11N2.CH4O3S/c1-15-9-3-5-11-7-6-10-4-2-8-14-12(10)13(11)15;1-5(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)/q+1;/p-1"	C[N+]1=CC=CC2=C1C3=C(C=CC=N3)C=C2.CS(=O)(=O)[O-]	TZEYRFFPBVDGSZ-UHFFFAOYSA-M
DG55745	"4,6-Di-tert-butyl-5-hydroxy-1-benzofuran-2(3H)-one"	382325	"NSC669794; 4,6-Di-tert-butyl-5-hydroxy-1-benzofuran-2(3H)-one; SCHEMBL8863791; CHEMBL1976287; NSC-669794; NCI60_024422; 4,6-ditert-butyl-5-hydroxy-3H-benzofuran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669794	.	.	.	.	262.34	C16H22O3	46.5	361	4.3	19	1	3	2	"InChI=1S/C16H22O3/c1-15(2,3)10-8-11-9(7-12(17)19-11)13(14(10)18)16(4,5)6/h8,18H,7H2,1-6H3"	CC(C)(C)C1=CC2=C(CC(=O)O2)C(=C1O)C(C)(C)C	SEBQEJDTBLAJLO-UHFFFAOYSA-N
DG55746	"1-(2,2-Dimethylpropanoyl)-3,3,4,6-tetramethyl-2,3-dihydro-1H-indol-5-yl acetate"	382328	"NSC669797; 1-(2,2-Dimethylpropanoyl)-3,3,4,6-tetramethyl-2,3-dihydro-1H-indol-5-yl acetate; CHEMBL1988372; NSC-669797; NCI60_024425; [1-(2,2-dimethylpropanoyl)-3,3,4,6-tetramethyl-indolin-5-yl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669797	.	.	.	.	317.4	C19H27NO3	46.6	491	4.1	23	0	3	3	"InChI=1S/C19H27NO3/c1-11-9-14-15(12(2)16(11)23-13(3)21)19(7,8)10-20(14)17(22)18(4,5)6/h9H,10H2,1-8H3"	CC1=CC2=C(C(=C1OC(=O)C)C)C(CN2C(=O)C(C)(C)C)(C)C	RIHNNHDYYBINAD-UHFFFAOYSA-N
DG55747	"1-(2,2-Dimethylpropanoyl)-3,4,6,7-tetramethyl-1H-indol-5-ol"	382331	"NSC669800; 1-(2,2-Dimethylpropanoyl)-3,4,6,7-tetramethyl-1H-indol-5-ol; SCHEMBL8863738; CHEMBL1970402; NSC-669800; NCI60_024428; 1-(5-hydroxy-3,4,6,7-tetramethyl-indol-1-yl)-2,2-dimethyl-propan-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669800	.	.	.	.	273.37	C17H23NO2	42.2	387	4.4	20	1	2	1	"InChI=1S/C17H23NO2/c1-9-8-18(16(20)17(5,6)7)14-10(2)11(3)15(19)12(4)13(9)14/h8,19H,1-7H3"	CC1=CN(C2=C1C(=C(C(=C2C)C)O)C)C(=O)C(C)(C)C	DRWPEPWTQYJGTN-UHFFFAOYSA-N
DG55748	3-bis(4-methylanilino)phosphoryloxy-N-(4-methylphenyl)benzamide	382340	NSC669807; CHEMBL1978453; NSC-669807; NCI60_024435	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669807	.	.	.	.	485.5	C28H28N3O3P	79.5	682	6.9	35	3	5	8	"InChI=1S/C28H28N3O3P/c1-20-7-13-24(14-8-20)29-28(32)23-5-4-6-27(19-23)34-35(33,30-25-15-9-21(2)10-16-25)31-26-17-11-22(3)12-18-26/h4-19H,1-3H3,(H,29,32)(H2,30,31,33)"	CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)OP(=O)(NC3=CC=C(C=C3)C)NC4=CC=C(C=C4)C	BIGLTBKYQWTMIG-UHFFFAOYSA-N
DG55749	"5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione"	382346	"NSC669815; 5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione; SCHEMBL5834741; CHEMBL1998582; 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(2-methylpropyl)-; ZINC1643545; NSC-669815; 74965-92-7; NCI60_024440; 2,2-dimethyl-5-isobutyl-1,3-dioxane-4,6-dione; 2,2-dimethyl-5-(2-methyl-propyl)-[1,3]dioxane-4,6-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669815	.	.	.	.	200.23	C10H16O4	52.6	235	2.3	14	0	4	2	"InChI=1S/C10H16O4/c1-6(2)5-7-8(11)13-10(3,4)14-9(7)12/h6-7H,5H2,1-4H3"	CC(C)CC1C(=O)OC(OC1=O)(C)C	BICARUVXPMQQSV-UHFFFAOYSA-N
DG55750	Methyl 1-((4-(benzyloxy)-2-(((benzyloxy)carbonyl)amino)-4-oxobutanoyl)amino)cycloheptanecarboxylate	382347	NSC669816; Methyl 1-((4-(benzyloxy)-2-(((benzyloxy)carbonyl)amino)-4-oxobutanoyl)amino)cycloheptanecarboxylate; CHEMBL1988633; NSC-669816; NCI60_024441; methyl 1-[[4-benzyloxy-2-(benzyloxycarbonylamino)-4-oxo-butanoyl]amino]cycloheptanecarboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669816	.	.	.	.	510.6	C28H34N2O7	120	752	4.2	37	2	7	13	"InChI=1S/C28H34N2O7/c1-35-26(33)28(16-10-2-3-11-17-28)30-25(32)23(18-24(31)36-19-21-12-6-4-7-13-21)29-27(34)37-20-22-14-8-5-9-15-22/h4-9,12-15,23H,2-3,10-11,16-20H2,1H3,(H,29,34)(H,30,32)"	COC(=O)C1(CCCCCC1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3	MXPRDGMULCNPOW-UHFFFAOYSA-N
DG55751	Methyl 1-((4-tert-butoxy-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)cyclopropanecarboxylate	382348	NSC669817; Methyl 1-((4-tert-butoxy-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)cyclopropanecarboxylate; CHEMBL2002609; NSC-669817; NCI60_024442; methyl 1-[[4-tert-butoxy-2-(tert-butoxycarbonylamino)-4-oxo-butanoyl]amino]cyclopropanecarboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669817	.	.	.	.	386.4	C18H30N2O7	120	598	1.4	27	2	7	11	"InChI=1S/C18H30N2O7/c1-16(2,3)26-12(21)10-11(19-15(24)27-17(4,5)6)13(22)20-18(8-9-18)14(23)25-7/h11H,8-10H2,1-7H3,(H,19,24)(H,20,22)"	CC(C)(C)OC(=O)CC(C(=O)NC1(CC1)C(=O)OC)NC(=O)OC(C)(C)C	LWGLVPIXTYTBQW-UHFFFAOYSA-N
DG55752	Di(tert-butyl) 2-((2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-3-methylbutanoyl)amino)pentanedioate	382352	NSC669821; CHEMBL1982893; NSC-669821; Di(tert-butyl) 2-((2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-3-methylbutanoyl)amino)pentanedioate; NCI60_024445; ditert-butyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoyl]amino]pentanedioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669821	.	.	.	.	580.7	C33H44N2O7	120	929	5.9	42	2	7	15	"InChI=1S/C33H44N2O7/c1-20(2)28(29(37)34-26(30(38)42-33(6,7)8)17-18-27(36)41-32(3,4)5)35-31(39)40-19-25-23-15-11-9-13-21(23)22-14-10-12-16-24(22)25/h9-16,20,25-26,28H,17-19H2,1-8H3,(H,34,37)(H,35,39)"	CC(C)C(C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13	DMYYOGXNFYMOMY-UHFFFAOYSA-N
DG55753	"4-[4-Methyl-5-(3-trifluoromethyl-phenyl)-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine"	382359	"NSC669829; 4-[4-Methyl-5-(3-trifluoromethyl-phenyl)-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine; CHEMBL1974008; NSC-669829; NCI60_024452; 2-[3-(Trifluoromethyl)phenyl]-3-methyl-5-(4-pyridyl)-2,3-dihydro-1,3,4-oxadiazole; 3-methyl-5-(4-pyridyl)-2-[3-(trifluoromethyl)phenyl]-2H-1,3,4-oxadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669829	.	.	.	.	307.27	C15H12F3N3O	37.7	421	3.5	22	0	7	2	"InChI=1S/C15H12F3N3O/c1-21-14(11-3-2-4-12(9-11)15(16,17)18)22-13(20-21)10-5-7-19-8-6-10/h2-9,14H,1H3"	CN1C(OC(=N1)C2=CC=NC=C2)C3=CC(=CC=C3)C(F)(F)F	ZHNGVQVGFZPSCO-UHFFFAOYSA-N
DG55754	"4-[4-Methyl-5-(4-trifluoromethyl-phenyl)-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine"	382360	"NSC669830; 4-[4-Methyl-5-(4-trifluoromethyl-phenyl)-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine; CHEMBL1998962; NSC-669830; NCI60_024453; 2-[4-(Trifluoromethyl)phenyl]-3-methyl-5-(4-pyridyl)-2,3-dihydro-1,3,4-oxadiazole; 3-methyl-5-(4-pyridyl)-2-[4-(trifluoromethyl)phenyl]-2H-1,3,4-oxadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669830	.	.	.	.	307.27	C15H12F3N3O	37.7	413	3.5	22	0	7	2	"InChI=1S/C15H12F3N3O/c1-21-14(11-2-4-12(5-3-11)15(16,17)18)22-13(20-21)10-6-8-19-9-7-10/h2-9,14H,1H3"	CN1C(OC(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)C(F)(F)F	GYIAORFPKPYVLG-UHFFFAOYSA-N
DG55755	"1-[8-(3-Methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine"	382365	NSC669884; Oprea1_627810; CHEMBL1993628; SCHEMBL19419789; NSC-669884; NCI60_024458	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669884	.	.	.	.	381.5	C23H27NO4	40.2	553	4.8	28	0	5	3	"InChI=1S/C23H27NO4/c1-15-22(16-7-6-8-17(11-16)25-3)18-12-20-21(27-14-26-20)13-19(18)28-23(15,2)24-9-4-5-10-24/h6-8,11-13,15,22H,4-5,9-10,14H2,1-3H3"	CC1C(C2=CC3=C(C=C2OC1(C)N4CCCC4)OCO3)C5=CC(=CC=C5)OC	LUELUYBCCRBFBS-UHFFFAOYSA-N
DG55756	"4-[7-ethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine"	382366	NSC669885; CHEMBL2000626; SCHEMBL14535467; NSC-669885; NCI60_024459	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669885	.	.	.	.	457.5	C25H31NO7	67.8	618	4.1	33	0	8	6	"InChI=1S/C25H31NO7/c1-5-16-23(15-10-21(27-2)24(29-4)22(11-15)28-3)17-12-19-20(32-14-31-19)13-18(17)33-25(16)26-6-8-30-9-7-26/h10-13,16,23,25H,5-9,14H2,1-4H3"	CCC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC	HLELSJUVHXKFBA-UHFFFAOYSA-N
DG55757	"4-[6-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine"	382367	NSC669886; CHEMBL1972260; NSC-669886; NCI60_024460	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669886	.	.	.	.	443.5	C24H29NO7	67.8	618	3.5	32	0	8	5	"InChI=1S/C24H29NO7/c1-24(25-5-7-29-8-6-25)13-17(15-9-21(26-2)23(28-4)22(10-15)27-3)16-11-19-20(31-14-30-19)12-18(16)32-24/h9-12,17H,5-8,13-14H2,1-4H3"	CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)N5CCOCC5	WFJIDFUCJINXPL-UHFFFAOYSA-N
DG55758	"6-methyl-N-phenyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-amine"	382368	NSC669887; Neuro_000405; CHEMBL1973121; NSC-669887; NCI60_024461	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669887	.	.	.	.	449.5	C26H27NO6	67.4	630	5.5	33	1	7	6	"InChI=1S/C26H27NO6/c1-26(27-17-8-6-5-7-9-17)14-19(16-10-23(28-2)25(30-4)24(11-16)29-3)18-12-21-22(32-15-31-21)13-20(18)33-26/h5-13,19,27H,14-15H2,1-4H3"	CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)NC5=CC=CC=C5	VIOSAMYWANJHLU-UHFFFAOYSA-N
DG55759	"[2,6-Dimethoxy-4-[(8-oxo-6,8-dihydro-2H,9H-1,3,5,7-tetraoxadicyclopenta[b,g]naphthalen)-9-yl]phenoxy]acetic acid ethyl ester"	382369	"NSC669888; CHEMBL1970570; NSC-669888; NCI60_024462; [2,6-Dimethoxy-4-[(8-oxo-6,8-dihydro-2H,9H-1,3,5,7-tetraoxadicyclopenta[b,g]naphthalen)-9-yl]phenoxy]acetic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669888	.	.	.	.	470.4	C24H22O10	108	798	2.9	34	0	10	8	"InChI=1S/C24H22O10/c1-4-29-20(25)10-30-23-17(27-2)5-12(6-18(23)28-3)21-13-7-15-16(33-11-32-15)8-14(13)34-19-9-31-24(26)22(19)21/h5-8,21H,4,9-11H2,1-3H3"	CCOC(=O)COC1=C(C=C(C=C1OC)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4)OC	ZQLPEODKGJVWDK-UHFFFAOYSA-N
DG55760	"4-[8-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine"	382370	NSC669889; CHEMBL1970987; NSC-669889; NCI60_024463	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669889	.	.	.	.	383.4	C22H25NO5	49.4	527	3.8	28	0	6	3	"InChI=1S/C22H25NO5/c1-14-21(15-4-3-5-16(10-15)24-2)17-11-19-20(27-13-26-19)12-18(17)28-22(14)23-6-8-25-9-7-23/h3-5,10-12,14,21-22H,6-9,13H2,1-2H3"	CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=CC=C5)OC	ZQNFTINNMOXUHL-UHFFFAOYSA-N
DG55761	"2H-Imidazol-2-one, 4-benzoyl-3-[4-bromo-2-(methylthio)phenyl]-1,3-dihydro-5-(methylthio)-1-phenyl-"	382378	"NSC669936; 2H-Imidazol-2-one, 4-benzoyl-3-[4-bromo-2-(methylthio)phenyl]-1,3-dihydro-5-(methylthio)-1-phenyl-; CHEMBL1975992; NSC-669936; NCI60_024466; 5-benzoyl-1-(4-bromo-2-methylsulfanyl-phenyl)-4-methylsulfanyl-3-phenyl-imidazol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669936	.	.	.	.	511.5	C24H19BrN2O2S2	91.2	704	6.1	31	0	4	6	"InChI=1S/C24H19BrN2O2S2/c1-30-20-15-17(25)13-14-19(20)27-21(22(28)16-9-5-3-6-10-16)23(31-2)26(24(27)29)18-11-7-4-8-12-18/h3-15H,1-2H3"	CSC1=C(C=CC(=C1)Br)N2C(=C(N(C2=O)C3=CC=CC=C3)SC)C(=O)C4=CC=CC=C4	ASJJQFZFGSRVDC-UHFFFAOYSA-N
DG55762	"1-Methyl-3H-[1,3]thiazolo[3,4-a]benzimidazole"	382381	"NSC669939; 116849-82-2; 1-methyl-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole; 1H,3H-Thiazolo[3,4-a]benzimidazole,1-methyl-(9CI); 1-Methyl-3H-[1,3]thiazolo[3,4-a]benzimidazole; CHEMBL1995584; NSC-669939; NCI60_024469; 1-methyl-1,3-dihydrothiazolo[3,4-a]benzimidazole; 1-Methyl-1,3-dihydrobenzo[4,5]imidazo[1,2-c]thiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669939	.	.	.	.	190.27	C10H10N2S	43.1	209	2.1	13	0	2	0	"InChI=1S/C10H10N2S/c1-7-12-9-5-3-2-4-8(9)11-10(12)6-13-7/h2-5,7H,6H2,1H3"	CC1N2C(=NC3=CC=CC=C32)CS1	LWMCALUODNGSKW-UHFFFAOYSA-N
DG55763	"1,1-Dimethyl-3H-[1,3]thiazolo[3,4-a]benzimidazole"	382382	"NSC669940; 1,1-Dimethyl-3H-[1,3]thiazolo[3,4-a]benzimidazole; CHEMBL1988740; NSC-669940; NCI60_024470; 1,1-dimethyl-3H-thiazolo[3,4-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669940	.	.	.	.	204.29	C11H12N2S	43.1	241	2.3	14	0	2	0	"InChI=1S/C11H12N2S/c1-11(2)13-9-6-4-3-5-8(9)12-10(13)7-14-11/h3-6H,7H2,1-2H3"	CC1(N2C(=NC3=CC=CC=C32)CS1)C	HZZJQNVSJLPFCZ-UHFFFAOYSA-N
DG55764	"1-Isopropyl-3H-[1,3]thiazolo[3,4-a]benzimidazole"	382384	"NSC669942; 1-Isopropyl-3H-[1,3]thiazolo[3,4-a]benzimidazole; CHEMBL1997362; NSC-669942; NCI60_024472; 1-isopropyl-1,3-dihydrothiazolo[3,4-a]benzimidazole; 1-isopropyl-3,9-dihydro-1H-thiazolo[3,4-a]benzoimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669942	.	.	.	.	218.32	C12H14N2S	43.1	244	3.1	15	0	2	1	"InChI=1S/C12H14N2S/c1-8(2)12-14-10-6-4-3-5-9(10)13-11(14)7-15-12/h3-6,8,12H,7H2,1-2H3"	CC(C)C1N2C(=NC3=CC=CC=C32)CS1	CRQBLABDWHLEIW-UHFFFAOYSA-N
DG55765	"1-(4-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	382385	"NSC669943; 1-(4-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole; CHEMBL1981096; NSC-669943; NCI60_024473; 1-(p-tolyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669943	.	.	.	.	266.4	C16H14N2S	43.1	327	3.8	19	0	2	1	"InChI=1S/C16H14N2S/c1-11-6-8-12(9-7-11)16-18-14-5-3-2-4-13(14)17-15(18)10-19-16/h2-9,16H,10H2,1H3"	CC1=CC=C(C=C1)C2N3C(=NC4=CC=CC=C43)CS2	FQIOKSYXWYQRQN-UHFFFAOYSA-N
DG55766	Methyl 2-[3-[(4-chlorophenyl)carbamoylsulfamoyl]-4-oxo-2-phenyl-chromen-8-yl]acetate	382412	NSC669973; CHEMBL1974345; NSC-669973; NCI60_024489; methyl 2-[3-[(4-chlorophenyl)carbamoylsulfamoyl]-4-oxo-2-phenyl-chromen-8-yl]acetate; Methyl (3-((((4-chloroanilino)carbonyl)amino)sulfonyl)-4-oxo-2-phenyl-4H-chromen-8-yl)acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669973	.	.	.	.	526.9	C25H19ClN2O7S	136	979	5	36	2	7	7	"InChI=1S/C25H19ClN2O7S/c1-34-20(29)14-16-8-5-9-19-21(30)24(23(35-22(16)19)15-6-3-2-4-7-15)36(32,33)28-25(31)27-18-12-10-17(26)11-13-18/h2-13H,14H2,1H3,(H2,27,28,31)"	COC(=O)CC1=C2C(=CC=C1)C(=O)C(=C(O2)C3=CC=CC=C3)S(=O)(=O)NC(=O)NC4=CC=C(C=C4)Cl	FOPWGLHHUGBPRV-UHFFFAOYSA-N
DG55767	"6-Imino-1-methyl-3-phenyl-2,6-dihydro-5(1H)-quinolinone hydrazone"	382414	"NSC-669977; NSC669977; CHEMBL1288458; 6-Imino-1-methyl-3-phenyl-2,6-dihydro-5(1H)-quinolinone hydrazone; BDBM50332187; NCI60_024491; 6-imino-1-methyl-3-phenyl-2H-quinolin-5-one hydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669977	.	.	.	.	264.32	C16H16N4	65.5	386	3.6	20	2	4	2	"InChI=1S/C16H16N4/c1-20-10-12(11-5-3-2-4-6-11)9-13-15(20)8-7-14(17)16(13)19-18/h2-9,18H,10,17H2,1H3"	CN1CC(=CC2=C1C=CC(=C2N=N)N)C3=CC=CC=C3	VZQKWRKRDCBNCA-UHFFFAOYSA-N
DG55768	"[1,1'-Binaphthalene]-4,4'-diol, 3,3'-di-4-morpholinyl-"	382422	"NSC669985; [1,1'-Binaphthalene]-4,4'-diol, 3,3'-di-4-morpholinyl-; CHEMBL1997830; NSC-669985; NCI60_024499; 4-(4-hydroxy-3-morpholino-1-naphthyl)-2-morpholino-naphthalen-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669985	.	.	.	.	456.5	C28H28N2O4	65.4	611	4.8	34	2	6	3	"InChI=1S/C28H28N2O4/c31-27-21-7-3-1-5-19(21)23(17-25(27)29-9-13-33-14-10-29)24-18-26(30-11-15-34-16-12-30)28(32)22-8-4-2-6-20(22)24/h1-8,17-18,31-32H,9-16H2"	C1COCCN1C2=C(C3=CC=CC=C3C(=C2)C4=CC(=C(C5=CC=CC=C54)O)N6CCOCC6)O	HSMSIXLBEUEYGC-UHFFFAOYSA-N
DG55769	"4-Benzyl-2-(2-thienyl)-4,5-dihydro-1,3-oxazole"	382426	"NSC669992; 4-Benzyl-2-(2-thienyl)-4,5-dihydro-1,3-oxazole; CHEMBL2001820; SCHEMBL19410870; NSC-669992; NCI60_024502; 4-benzyl-2-(2-thienyl)-4,5-dihydrooxazole; 4-benzyl-4,5-dihydro-2-(thiophen-2-yl) oxazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669992	.	.	.	.	243.33	C14H13NOS	49.8	286	3.5	17	0	3	3	"InChI=1S/C14H13NOS/c1-2-5-11(6-3-1)9-12-10-16-14(15-12)13-7-4-8-17-13/h1-8,12H,9-10H2"	C1C(N=C(O1)C2=CC=CS2)CC3=CC=CC=C3	QKICIDWWVZZURL-UHFFFAOYSA-N
DG55770	"9-Chloro-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine"	382430	"NSC669997; CHEMBL1986325; NSC-669997; 9-chloro-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine; 3-Chloro-11-oxa-4b,10-diaza-benzo[b]fluoren-5-ylideneamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669997	.	.	.	.	306.1	C14H9Cl2N3O	48.7	438	.	20	2	3	0	"InChI=1S/C14H8ClN3O.ClH/c15-8-5-6-12-11(7-8)18-13(16)9-3-1-2-4-10(9)17-14(18)19-12;/h1-7,16H;1H"	C1=CC=C2C(=C1)C(=N)N3C4=C(C=CC(=C4)Cl)OC3=N2.Cl	UHHTZOKLJGDKAS-UHFFFAOYSA-N
DG55771	"8-Nitro-12H-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine hydrochloride"	382432	"NSC669998; CHEMBL2005138; 8-Nitro-12H-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine hydrochloride; NSC-669998; 8-nitro-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669998	.	.	.	.	316.7	C14H9ClN4O3	94.5	515	.	22	2	5	0	"InChI=1S/C14H8N4O3.ClH/c15-13-9-3-1-2-4-10(9)16-14-17(13)11-6-5-8(18(19)20)7-12(11)21-14;/h1-7,15H;1H"	C1=CC=C2C(=C1)C(=N)N3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=N2.Cl	SRNNYZSXJNPABK-UHFFFAOYSA-N
DG55772	"8-(4-Bromo-phenyl)-4-methyl-8,9-dihydro-pyrano[2,3-f]chromene-2,10-dione"	382434	"NSC669999; 8-(4-Bromo-phenyl)-4-methyl-8,9-dihydro-pyrano[2,3-f]chromene-2,10-dione; CHEMBL1985652; 8-(4-bromophenyl)-4-methyl-8,9-dihydropyrano[2,3-f]chromene-2,10-dione; NSC-669999; NCI60_024508"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669999	.	.	.	.	385.2	C19H13BrO4	52.6	564	3.5	24	0	4	1	"InChI=1S/C19H13BrO4/c1-10-8-17(22)24-19-13(10)6-7-15-18(19)14(21)9-16(23-15)11-2-4-12(20)5-3-11/h2-8,16H,9H2,1H3"	CC1=CC(=O)OC2=C1C=CC3=C2C(=O)CC(O3)C4=CC=C(C=C4)Br	GUHQXZPDNPRRCA-UHFFFAOYSA-N
DG55773	(4-Nitrophenyl) 2-[bis(1-adamantyloxycarbonyl)amino]acetate	382440	"NSC670006; CHEMBL2374612; (4-nitrophenyl) 2-[bis(1-adamantyloxycarbonyl)amino]acetate; ZINC6002892; NSC-670006; NCI60_024514; Glycine,N-bis[(1-adamantyloxy)carbonyl]-, 4-nitrophenyl ester; Glycine, {N,N-bis[(1-adamantyloxy)carbonyl]-,} 4-nitrophenyl ester; 4-(Hydroxy(oxido)amino)phenyl (bis((1-adamantyloxy)carbonyl)amino)acetate; Glycine, {N,N-bis[(tricyclo[3,3,1,1(3,7)]-1-decyloxy)carbonyl]-,} 4-nitrophenyl ester; Glycine,N-bis[(tricyclo[3,3,1,1(3,7)]-1-decyloxy)carbonyl]-, 4-nitrophenyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670006	.	.	.	.	552.6	C30H36N2O8	128	920	7	40	0	8	8	"InChI=1S/C30H36N2O8/c33-26(38-25-3-1-24(2-4-25)32(36)37)17-31(27(34)39-29-11-18-5-19(12-29)7-20(6-18)13-29)28(35)40-30-14-21-8-22(15-30)10-23(9-21)16-30/h1-4,18-23H,5-17H2"	C1C2CC3CC1CC(C2)(C3)OC(=O)N(CC(=O)OC4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC56CC7CC(C5)CC(C7)C6	GQJJUERUDMZYFN-UHFFFAOYSA-N
DG55774	"N1,N4-bis[3-[2-chloroethyl(ethyl)amino]-5-(dimethylaminomethyl)phenyl]terephthalamide"	382448	"NSC670013; CHEMBL341166; ZINC5741853; NCI60_024521; N1,N4-bis[3-[2-chloroethyl(ethyl)amino]-5-(dimethylaminomethyl)phenyl]terephthalamide; N,N'-Bis[3-[ethyl(2-chloroethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1,4-benzenedicarboxamide; N~1~,N~4~-Bis(3-((2-chloroethyl)(ethyl)amino)-5-((dimethylamino)methyl)phenyl)terephthalamide hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670013	.	.	.	.	641.7	C34H46Cl2N6O2	71.2	788	5.4	44	2	6	16	"InChI=1S/C34H46Cl2N6O2/c1-7-41(15-13-35)31-19-25(23-39(3)4)17-29(21-31)37-33(43)27-9-11-28(12-10-27)34(44)38-30-18-26(24-40(5)6)20-32(22-30)42(8-2)16-14-36/h9-12,17-22H,7-8,13-16,23-24H2,1-6H3,(H,37,43)(H,38,44)"	CCN(CCCl)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC(=C3)CN(C)C)N(CC)CCCl)CN(C)C	NKTQBLYATRQUBI-UHFFFAOYSA-N
DG55775	Dimethyl 1-methyl-1-((((trifluoromethyl)amino)carbonyl)amino)ethylphosphonate	382487	NSC670093; Dimethyl 1-methyl-1-((((trifluoromethyl)amino)carbonyl)amino)ethylphosphonate; CHEMBL1971239; NSC-670093; NCI60_024554; 1-(1-dimethoxyphosphoryl-1-methyl-ethyl)-3-(trifluoromethyl)urea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670093	.	.	.	.	278.17	C7H14F3N2O4P	76.7	324	0.5	17	2	7	4	"InChI=1S/C7H14F3N2O4P/c1-6(2,17(14,15-3)16-4)11-5(13)12-7(8,9)10/h1-4H3,(H2,11,12,13)"	CC(C)(NC(=O)NC(F)(F)F)P(=O)(OC)OC	KUYCOGUZUZBLSB-UHFFFAOYSA-N
DG55776	"N-[1-diphenylphosphoryl-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide"	382505	"NSC670111; CHEMBL1968969; NSC-670111; NCI60_024572; N-(1-(Diphenylphosphoryl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide; N-[1-diphenylphosphoryl-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670111	.	.	.	.	545.3	C19H12F12NO2P	46.2	740	6.2	35	1	14	5	"InChI=1S/C19H12F12NO2P/c20-15(21,22)13(16(23,24)25)14(33)32-17(18(26,27)28,19(29,30)31)35(34,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,32,33)"	C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F	BTDQBMHUARPTSB-UHFFFAOYSA-N
DG55777	Aclacinomycin X	382513	Aclacinomycin X; NSC670120; NSC-670120; NCI60_024581	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670120	.	.	.	.	824.9	C42H52N2O15	243	1630	2.8	59	5	17	10	"InChI=1S/C42H52N2O15/c1-8-42(52)16-28(32-21(34(42)40(51)53-7)12-22-33(37(32)50)36(49)31-20(35(22)48)10-9-11-25(31)45)57-29-14-24(44(5)6)38(18(3)54-29)58-30-15-27(47)39(19(4)55-30)59-41-23(43)13-26(46)17(2)56-41/h9-13,17-19,24,27-30,34,38-39,41,45,47,50,52H,8,14-16,43H2,1-7H3"	CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7C(=CC(=O)C(O7)C)N)O)N(C)C)O	OHMUKIWRHXAZQS-UHFFFAOYSA-N
DG55778	Polyozellin	382514	Polyozellin; CHEMBL458248; SCHEMBL2454411; DTXSID30327611; BDBM50269566; NSC670123; NCI60_024584; Q7226724	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670123	.	.	.	.	438.3	C22H14O10	160	697	3.5	32	4	10	4	"InChI=1S/C22H14O10/c1-7(23)29-19-17-9-3-11(25)13(27)5-15(9)32-22(17)20(30-8(2)24)18-10-4-12(26)14(28)6-16(10)31-21(18)19/h3-6,25-28H,1-2H3"	CC(=O)OC1=C2C(=C(C3=C1C4=CC(=C(C=C4O3)O)O)OC(=O)C)C5=CC(=C(C=C5O2)O)O	CCNILPFRYYKQOP-UHFFFAOYSA-N
DG55779	NSC670124	382515	"2-[[24-(2-Hydroxyethylimino)-9-heptacyclo[15.13.0.02,16.03,8.010,15.018,23.025,30]triaconta-3,5,7,10,12,14,18,20,22,25,27,29-dodecaenylidene]amino]ethanol; NSC670124; CHEMBL1974775; NSC-670124; NCI60_024585; 2-[(2-hydroxyethylimino[ ]ylidene)amino]ethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670124	.	.	.	.	498.6	C34H30N2O2	65.2	767	4.9	38	2	4	4	"InChI=1S/C34H30N2O2/c37-19-17-35-33-25-13-5-1-9-21(25)29-30(22-10-2-6-14-26(22)33)32-24-12-4-8-16-28(24)34(36-18-20-38)27-15-7-3-11-23(27)31(29)32/h1-16,29-32,37-38H,17-20H2"	C1=CC=C2C(=C1)C3C(C4C3C5=CC=CC=C5C(=NCCO)C6=CC=CC=C46)C7=CC=CC=C7C2=NCCO	DVPXVAYQCHATEP-UHFFFAOYSA-N
DG55780	"Carbamic acid, butyl-, 2-[(10,11-dibromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)amino]ethyl ester"	382521	"NSC670130; Carbamic acid, butyl-, 2-[(10,11-dibromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)amino]ethyl ester; CHEMBL1997462; NSC-670130; NCI60_024591; 2-[(5,6-dibromo-5,6-dihydrodibenzo[[ ],[ ]][7]annulen-11-ylidene)amino]ethyl N-butylcarbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670130	.	.	.	.	508.2	C22H24Br2N2O2	50.7	513	5.4	28	1	3	7	"InChI=1S/C22H24Br2N2O2/c1-2-3-12-26-22(27)28-14-13-25-21-17-10-6-4-8-15(17)19(23)20(24)16-9-5-7-11-18(16)21/h4-11,19-20H,2-3,12-14H2,1H3,(H,26,27)"	CCCCNC(=O)OCCN=C1C2=CC=CC=C2C(C(C3=CC=CC=C31)Br)Br	BQJOURWTNCHPKQ-UHFFFAOYSA-N
DG55781	"Carbamic acid, (1-methylethyl)-, 2-[(10,11-dibromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)amino]ethyl ester"	382522	"NSC670131; CHEMBL1971661; NSC-670131; Carbamic acid, (1-methylethyl)-, 2-[(10,11-dibromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)amino]ethyl ester; NCI60_024592; 2-[(5,6-dibromo-5,6-dihydrodibenzo[[ ],[ ]][7]annulen-11-ylidene)amino]ethyl N-isopropylcarbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670131	.	.	.	.	494.2	C21H22Br2N2O2	50.7	510	4.9	27	1	3	5	"InChI=1S/C21H22Br2N2O2/c1-13(2)25-21(26)27-12-11-24-20-16-9-5-3-7-14(16)18(22)19(23)15-8-4-6-10-17(15)20/h3-10,13,18-19H,11-12H2,1-2H3,(H,25,26)"	CC(C)NC(=O)OCCN=C1C2=CC=CC=C2C(C(C3=CC=CC=C31)Br)Br	GEDQZXAQISYCPQ-UHFFFAOYSA-N
DG55782	"Ethanol, 2-[(10,11-dibromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)amino]-, phenylcarbamate (ester)"	382523	"NSC670132; CHEMBL1984167; NSC-670132; Ethanol, 2-[(10,11-dibromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)amino]-, phenylcarbamate (ester); NCI60_024593; 2-[(5,6-dibromo-5,6-dihydrodibenzo[[ ],[ ]][7]annulen-11-ylidene)amino]ethyl N-phenylcarbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670132	.	.	.	.	528.2	C24H20Br2N2O2	50.7	578	5.7	30	1	3	5	"InChI=1S/C24H20Br2N2O2/c25-21-17-10-4-6-12-19(17)23(20-13-7-5-11-18(20)22(21)26)27-14-15-30-24(29)28-16-8-2-1-3-9-16/h1-13,21-22H,14-15H2,(H,28,29)"	C1=CC=C(C=C1)NC(=O)OCCN=C2C3=CC=CC=C3C(C(C4=CC=CC=C42)Br)Br	RCAMYZDOHPSKDC-UHFFFAOYSA-N
DG55783	"2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethyl 3,5-dinitrobenzoate"	382525	"NSC670134; CHEMBL1970174; ZINC1643750; NSC-670134; NCI60_024595; 2-(5,6-dihydrodibenzo[[ ],[ ]][7]annulen-11-ylideneamino)ethyl 3,5-dinitrobenzoate; Ethanol, 2-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)amino]-, 3,5-dinitrobenzoate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670134	.	.	.	.	445.4	C24H19N3O6	130	712	5	33	0	7	5	"InChI=1S/C24H19N3O6/c28-24(18-13-19(26(29)30)15-20(14-18)27(31)32)33-12-11-25-23-21-7-3-1-5-16(21)9-10-17-6-2-4-8-22(17)23/h1-8,13-15H,9-12H2"	C1CC2=CC=CC=C2C(=NCCOC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C41	BHKVMLIKDJSFJP-UHFFFAOYSA-N
DG55784	"5H-Dibenzo[a,d]cyclohepten-5-one, O-benzoyloxime"	382529	"NSC670138; 5H-Dibenzo[a,d]cyclohepten-5-one, O-benzoyloxime; CHEMBL1981476; ZINC1643754; NSC-670138; NCI60_024599; (dibenzo[[ ],[ ]][7]annulen-11-ylideneamino) benzoate; [(5H-Dibenzo[a,d][7]annulen-5-ylideneamino)oxy](phenyl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670138	.	.	.	.	325.4	C22H15NO2	38.7	504	5.9	25	0	3	3	InChI=1S/C22H15NO2/c24-22(18-10-2-1-3-11-18)25-23-21-19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)21/h1-15H	C1=CC=C(C=C1)C(=O)ON=C2C3=CC=CC=C3C=CC4=CC=CC=C42	BEWKLHRGXSTHLT-UHFFFAOYSA-N
DG55785	"5H-Dibenzo[a,d]cyclohepten-5-imine, 10,11-dibromo-10,11-dihydro-N-(benzoyloxy)-"	382531	"NSC670140; CHEMBL1969539; NSC-670140; 5H-Dibenzo[a,d]cyclohepten-5-imine, 10,11-dibromo- 10,11-dihydro-N-(benzoyloxy)-; NCI60_024601; 5H-Dibenzo[a, 10,11-dibromo- 10,11-dihydro-N-(benzoyloxy)-; [(5,6-dibromo-5,6-dihydrodibenzo[[ ],[ ]][7]annulen-11-ylidene)amino] benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670140	.	.	.	.	485.2	C22H15Br2NO2	38.7	531	6.3	27	0	3	3	"InChI=1S/C22H15Br2NO2/c23-19-15-10-4-6-12-17(15)21(18-13-7-5-11-16(18)20(19)24)25-27-22(26)14-8-2-1-3-9-14/h1-13,19-20H"	C1=CC=C(C=C1)C(=O)ON=C2C3=CC=CC=C3C(C(C4=CC=CC=C42)Br)Br	SGJHKIINOHKVDO-UHFFFAOYSA-N
DG55786	"[(9,10-Dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)amino] 3,5-dinitrobenzoate"	382532	"NSC670141; CHEMBL1973596; NSC-670141; NCI60_024602; [(5,6-dibromo-5,6-dihydrodibenzo[[ ],[ ]][7]annulen-11-ylidene)amino] 3,5-dinitrobenzoate; 5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dibromo-10,11-dihydro-, O-(3,5-dinitrobenzoyl)oxime"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670141	.	.	.	.	575.2	C22H13Br2N3O6	130	748	6	33	0	7	3	"InChI=1S/C22H13Br2N3O6/c23-19-15-5-1-3-7-17(15)21(18-8-4-2-6-16(18)20(19)24)25-33-22(28)12-9-13(26(29)30)11-14(10-12)27(31)32/h1-11,19-20H"	C1=CC=C2C(=C1)C(C(C3=CC=CC=C3C2=NOC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])Br)Br	JVHXRUYNEQGIHF-UHFFFAOYSA-N
DG55787	Triphenyl(8-triphenylphosphaniumyloctyl)phosphonium	382553	"NSC670162; SCHEMBL6767743; CHEMBL2010531; ZINC73351434; NCI60_024621; (1,8-Octanediyl)bis(triphenylphosphorane); triphenyl(8-triphenylphosphaniumyloctyl)phosphonium; Triphenyl(8-(triphenylphosphoranyl)octyl)phosphorane hydroiodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670162	.	.	.	.	636.8	C44H46P2+2	0	641	11.5	46	0	0	15	"InChI=1S/C44H46P2/c1(3-23-37-45(39-25-11-5-12-26-39,40-27-13-6-14-28-40)41-29-15-7-16-30-41)2-4-24-38-46(42-31-17-8-18-32-42,43-33-19-9-20-34-43)44-35-21-10-22-36-44/h5-22,25-36H,1-4,23-24,37-38H2/q+2"	C1=CC=C(C=C1)[P+](CCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6	VHZAYKXOYYQGPN-UHFFFAOYSA-N
DG55788	"4'-(Acetyloxy)-3,3',5,5'-tetramethyl[1,1'-biphenyl]-4-yl acetate"	382569	"NSC670177; 4'-(Acetyloxy)-3,3',5,5'-tetramethyl[1,1'-biphenyl]-4-yl acetate; CHEMBL1972618; ZINC4826003; AKOS024339940; MCULE-4535723448; NSC-670177; NCI60_024636; [4-(4-acetoxy-3,5-dimethyl-phenyl)-2,6-dimethyl-phenyl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670177	.	.	.	.	326.4	C20H22O4	52.6	395	4.5	24	0	4	5	"InChI=1S/C20H22O4/c1-11-7-17(8-12(2)19(11)23-15(5)21)18-9-13(3)20(14(4)10-18)24-16(6)22/h7-10H,1-6H3"	CC1=CC(=CC(=C1OC(=O)C)C)C2=CC(=C(C(=C2)C)OC(=O)C)C	LMLZWVLDNOFEBU-UHFFFAOYSA-N
DG55789	"3,5-Dimethyl[1,1'-biphenyl]-2-yl 1-naphthylcarbamate"	382570	"NSC670178; 3,5-Dimethyl[1,1'-biphenyl]-2-yl 1-naphthylcarbamate; CHEMBL1964958; NSC-670178; NCI60_024637; (2,4-dimethyl-6-phenyl-phenyl) N-(1-naphthyl)carbamate; 3,5-Dimethyl-2-(((1-naphthylamino)carbonyl)oxy)-1,1'-biphenyl"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670178	.	.	.	.	367.4	C25H21NO2	38.3	515	6.7	28	1	2	4	"InChI=1S/C25H21NO2/c1-17-15-18(2)24(22(16-17)20-9-4-3-5-10-20)28-25(27)26-23-14-8-12-19-11-6-7-13-21(19)23/h3-16H,1-2H3,(H,26,27)"	CC1=CC(=C(C(=C1)C2=CC=CC=C2)OC(=O)NC3=CC=CC4=CC=CC=C43)C	MBUINHZVXPNNPJ-UHFFFAOYSA-N
DG55790	"4,5-Dimethyl-11H-pyrido[4,3-a]carbazole"	382590	"NSC670230; 4,3-a]carbazole; 4,5-Dimethyl-11H-pyrido[4,3-a]carbazole; CHEMBL1994477; NSC-670230; NCI60_024654; {4,5-Dimethyl-11H-pyrido[4,3-a]carbazole}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670230	.	.	.	.	246.31	C17H14N2	24.4	744	3.8	19	1	2	0	"InChI=1S/C17H14N2/c1-10-9-14-12-5-3-4-6-15(12)19-17(14)13-7-8-18-11(2)16(10)13/h3-9,18H,1-2H3"	CC1=CC2=C3C=CC=CC3=NC2=C4C1=C(NC=C4)C	NWFUMZFUBXELKR-UHFFFAOYSA-N
DG55791	9-Benzyl-6-methoxy-2-methyl-9H-purine	382623	NSC670264; 9-Benzyl-6-methoxy-2-methyl-9H-purine; 9-Benzyl-2-methyl-9H-purin-6-yl methyl ether; CHEMBL1984682; 9-benzyl-6-methoxy-2-methyl-purine; NSC-670264; NCI60_024684	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670264	.	.	.	.	254.29	C14H14N4O	52.8	295	2.8	19	0	4	3	"InChI=1S/C14H14N4O/c1-10-16-13-12(14(17-10)19-2)15-9-18(13)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3"	CC1=NC2=C(C(=N1)OC)N=CN2CC3=CC=CC=C3	ODXMVYUQRUFXRQ-UHFFFAOYSA-N
DG55792	"2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione"	382634	"NSC670283; MLS000756718; 2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione; Neuro_000406; 2,2'-Spirobi[2H-benz[f]indene]-5,5'(1'H,1H)-dione, 3,3',6,6',7,7',8,8'-octahydro-; CHEMBL1334804; SCHEMBL15549968; CHEBI:105887; ZINC1855333; NSC-670283; NCI60_024695; SMR000529108; Q27183675; 2,5'-dione, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-; 2,2'-Spirobi[2H-benz[f]indene]-5,5'-dione, 1,1',3,3',5,5',6,6',7, 7',8,8'-dodecahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670283	.	.	.	.	356.5	C25H24O2	34.1	595	4.5	27	0	2	0	"InChI=1S/C25H24O2/c26-23-5-1-3-15-7-17-11-25(13-19(17)9-21(15)23)12-18-8-16-4-2-6-24(27)22(16)10-20(18)14-25/h7-10H,1-6,11-14H2"	C1CC2=CC3=C(CC4(C3)CC5=C(C4)C=C6C(=C5)CCCC6=O)C=C2C(=O)C1	AKPUCJQSLKCIIJ-UHFFFAOYSA-N
DG55793	"Spiro[2H-benz[e]indene-2,2'-[2H]benz[f]indene]-5',9(1'H,1H)-dione, 3,3',6,6',7,7',8,8'-octahydro-"	382635	"NSC670284; Spiro[2H-benz[e]indene-2,2'-[2H]benz[f]indene]-5',9(1'H,1H)-dione, 3,3',6,6',7,7',8,8'-octahydro-; CHEMBL1966473; NSC-670284; NCI60_024696; spiro[3,6,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-2,2'-3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5',9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670284	.	.	.	.	356.5	C25H24O2	34.1	653	4.5	27	0	2	0	"InChI=1S/C25H24O2/c26-22-5-2-4-16-9-18-12-25(13-19(18)10-20(16)22)11-17-8-7-15-3-1-6-23(27)24(15)21(17)14-25/h7-10H,1-6,11-14H2"	C1CC2=C(C(=O)C1)C3=C(CC4(C3)CC5=C(C4)C=C6C(=C5)CCCC6=O)C=C2	TZRYGLPJFSJEOS-UHFFFAOYSA-N
DG55794	"Methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-2-ylmethyl)benzoate"	382646	"NSC670294; Methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-2-ylmethyl)benzoate; CHEMBL1974659; ZINC1855362; NSC-670294; NCI60_024706"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670294	.	.	.	.	306.4	C21H22O2	26.3	412	5.1	23	0	2	4	"InChI=1S/C21H22O2/c1-23-21(22)20-8-3-2-5-17(20)9-14-10-18-12-15-6-4-7-16(15)13-19(18)11-14/h2-3,5,8,12-14H,4,6-7,9-11H2,1H3"	COC(=O)C1=CC=CC=C1CC2CC3=C(C2)C=C4CCCC4=C3	VHBNZKSROKKYTN-UHFFFAOYSA-N
DG55795	"Spiro[as-indacene-2(1H),2'-[2H]inden]-1-one, 1',3,3',6,7,8-hexahydro-"	382650	"NSC670298; CHEMBL1983498; ZINC1855378; Spiro[as-indacene-2(1H),2'-[2H]inden]-1-one, 1',3,3',6,7,8-hexahydro-; NSC-670298; NCI60_024710; spiro[3,6,7,8-tetrahydro-as-indacene-2,2'-indane]-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670298	.	.	.	.	274.4	C20H18O	17.1	439	4.3	21	0	1	0	"InChI=1S/C20H18O/c21-19-18-16(9-8-13-6-3-7-17(13)18)12-20(19)10-14-4-1-2-5-15(14)11-20/h1-2,4-5,8-9H,3,6-7,10-12H2"	C1CC2=C(C1)C3=C(CC4(C3=O)CC5=CC=CC=C5C4)C=C2	JURNTNOECPNKDO-UHFFFAOYSA-N
DG55796	"Spiro[2H-benz[e]indene-2,2'-[2H]inden]-1(3H)-one, 1',3',6,7,8,9-hexahydro-"	382654	"NSC670302; Spiro[2H-benz[e]indene-2,2'-[2H]inden]-1(3H)-one, 1',3',6,7,8,9-hexahydro-; CHEMBL1992320; ZINC1855389; NSC-670302; NCI60_024714; spiro[6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalene-2,2'-indane]-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670302	.	.	.	.	288.4	C21H20O	17.1	453	4.9	22	0	1	0	"InChI=1S/C21H20O/c22-20-19-17(10-9-14-5-3-4-8-18(14)19)13-21(20)11-15-6-1-2-7-16(15)12-21/h1-2,6-7,9-10H,3-5,8,11-13H2"	C1CCC2=C(C1)C=CC3=C2C(=O)C4(C3)CC5=CC=CC=C5C4	NOSWRHVFVLJEKO-UHFFFAOYSA-N
DG55797	"2,2'-Spirobi[2H-inden]-1-ol, 1,1',3,3'-tetrahydro-"	382657	"NSC670305; 2,2'-Spirobi[2H-inden]-1-ol, 1,1',3,3'-tetrahydro-; 2,2'-spirobi[indane]-1'-ol; CHEMBL1992206; NSC-670305; NCI60_024717"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670305	.	.	.	.	236.31	C17H16O	20.2	310	3.2	18	1	1	0	"InChI=1S/C17H16O/c18-16-15-8-4-3-7-14(15)11-17(16)9-12-5-1-2-6-13(12)10-17/h1-8,16,18H,9-11H2"	C1C2=CC=CC=C2CC13CC4=CC=CC=C4C3O	KUXFQQAPAYYJSE-UHFFFAOYSA-N
DG55798	"Spiro[s-indacene-2(1H),2'-[2H]indene]-4-carboxylic acid, 1',3,3',5,6,7-hexahydro-1'-oxo-, methyl ester"	382659	"NSC670307; CHEMBL1987576; NSC-670307; NCI60_024719; Spiro[s-indacene-2(1H),2'-[2H]indene]-4-carboxylic acid, 1',3,3',5,6,7-hexahydro-1'-oxo-, methyl ester; methyl 1'-oxospiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-indane]-4-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670307	.	.	.	.	332.4	C22H20O3	43.4	584	4.2	25	0	3	2	"InChI=1S/C22H20O3/c1-25-21(24)19-16-8-4-6-13(16)9-15-11-22(12-18(15)19)10-14-5-2-3-7-17(14)20(22)23/h2-3,5,7,9H,4,6,8,10-12H2,1H3"	COC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=CC=CC=C5C4=O	DRDQOHMUVPZYAQ-UHFFFAOYSA-N
DG55799	"Spiro[s-indacene-2(1H),2'-[2H]inden]-1-one, 5'-acetyl-1',3,3',5,6,7-hexahydro-"	382661	"NSC670309; CHEMBL2003878; NSC-670309; Spiro[s-indacene-2(1H),2'-[2H]inden]-1-one, 5'-acetyl-1',3,3',5,6,7-hexahydro-; NCI60_024721; 5'-acetylspiro[3,5,6,7-tetrahydro-s-indacene-2,2'-indane]-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670309	.	.	.	.	316.4	C22H20O2	34.1	566	4	24	0	2	1	"InChI=1S/C22H20O2/c1-13(23)14-5-6-17-10-22(11-18(17)7-14)12-19-8-15-3-2-4-16(15)9-20(19)21(22)24/h5-9H,2-4,10-12H2,1H3"	CC(=O)C1=CC2=C(CC3(C2)CC4=C(C3=O)C=C5CCCC5=C4)C=C1	QBEZZQQNWXIICM-UHFFFAOYSA-N
DG55800	"2,2'(1H,1'H)-Spirobi[s-indacen]-1-one, 4'-acetyl-3,3',5,5',6,6',7,7'-octahydro-"	382664	"NSC670312; 2,2'(1H,1'H)-Spirobi[s-indacen]-1-one, 4'-acetyl-3,3',5,5',6,6',7,7'-octahydro-; CHEMBL1970481; NSC-670312; 4-acetylspiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3,5,6,7-tetrahydro-s-indacene]-1'-one; NCI60_024724"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670312	.	.	.	.	356.5	C25H24O2	34.1	667	4.9	27	0	2	1	"InChI=1S/C25H24O2/c1-14(26)23-20-7-3-6-17(20)9-19-12-25(13-22(19)23)11-18-8-15-4-2-5-16(15)10-21(18)24(25)27/h8-10H,2-7,11-13H2,1H3"	CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4=O)C=C6CCCC6=C5	SZWHEJDJJIBIPK-UHFFFAOYSA-N
DG55801	"2,2'(1H,1'H)-Spirobi[s-indacene]-4-carboxylic acid, 3,3',5,5',6,6',7,7'-octahydro-1'-oxo-, methyl ester"	382665	"NSC670313; 2,2'(1H,1'H)-Spirobi[s-indacene]-4-carboxylic acid, 3,3',5,5',6,6',7,7'-octahydro-1'-oxo-, methyl ester; CHEMBL2001154; NSC-670313; methyl 7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate; NCI60_024725"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670313	.	.	.	.	372.5	C25H24O3	43.4	685	5	28	0	3	2	"InChI=1S/C25H24O3/c1-28-24(27)22-19-7-3-6-16(19)9-18-12-25(13-21(18)22)11-17-8-14-4-2-5-15(14)10-20(17)23(25)26/h8-10H,2-7,11-13H2,1H3"	COC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4=O)C=C6CCCC6=C5	LVWDRDQXHIEPMF-UHFFFAOYSA-N
DG55802	"2-Bromo-3,5,6,7-tetrahydro-s-indacen-1(2H)-one"	382667	"NSC670315; 2-Bromo-3,5,6,7-tetrahydro-s-indacen-1(2H)-one; 2-bromo-3,5,6,7-tetrahydro-2H-s-indacen-1-one; CHEMBL2001963; NSC-670315; NCI60_024727"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670315	.	.	.	.	251.12	C12H11BrO	17.1	263	3.4	14	0	1	0	"InChI=1S/C12H11BrO/c13-11-6-9-4-7-2-1-3-8(7)5-10(9)12(11)14/h4-5,11H,1-3,6H2"	C1CC2=CC3=C(C=C2C1)C(=O)C(C3)Br	VWGJPHHXTSTPJQ-UHFFFAOYSA-N
DG55803	"1H-Indene-2-carboxylic acid, 2,3-dihydro-2-[(2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-, methyl ester"	382679	"NSC670327; CHEMBL1984416; NSC-670327; NCI60_024739; methyl 2-(indan-5-ylmethyl)-1-oxo-indane-2-carboxylate; 1H-Indene-2-carboxylic acid, 2,3-dihydro-2-[(2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-, methyl ester; 1H-Indene-2-carboxylic acid,3-dihydro-2-[(2,3- dihydro-1H-inden-5-yl)methyl]-1-oxo-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670327	.	.	.	.	320.4	C21H20O3	43.4	513	4.4	24	0	3	4	"InChI=1S/C21H20O3/c1-24-20(23)21(13-17-5-2-3-8-18(17)19(21)22)12-14-9-10-15-6-4-7-16(15)11-14/h2-3,5,8-11H,4,6-7,12-13H2,1H3"	COC(=O)C1(CC2=CC=CC=C2C1=O)CC3=CC4=C(CCC4)C=C3	SUTQCHYMFJGXOS-UHFFFAOYSA-N
DG55804	"Ethyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate"	382680	"NSC670328; Ethyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate; CHEMBL1964890; NSC-670328; NCI60_024740; ethyl 2-(indan-5-ylmethyl)-3-oxo-1,5,6,7-tetrahydro-s-indacene-2-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670328	.	.	.	.	374.5	C25H26O3	43.4	627	5.6	28	0	3	5	"InChI=1S/C25H26O3/c1-2-28-24(27)25(14-16-9-10-17-5-3-6-18(17)11-16)15-21-12-19-7-4-8-20(19)13-22(21)23(25)26/h9-13H,2-8,14-15H2,1H3"	CCOC(=O)C1(CC2=C(C1=O)C=C3CCCC3=C2)CC4=CC5=C(CCC5)C=C4	STXUACZSSBLOCT-UHFFFAOYSA-N
DG55805	Ethyl 6-methyl-2-(4-methylbenzyl)-1-oxo-2-indanecarboxylate	382681	NSC670329; Ethyl 6-methyl-2-(4-methylbenzyl)-1-oxo-2-indanecarboxylate; CHEMBL1967850; NSC-670329; NCI60_024741; ethyl 6-methyl-1-oxo-2-(p-tolylmethyl)indane-2-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670329	.	.	.	.	322.4	C21H22O3	43.4	478	4.7	24	0	3	5	"InChI=1S/C21H22O3/c1-4-24-20(23)21(12-16-8-5-14(2)6-9-16)13-17-10-7-15(3)11-18(17)19(21)22/h5-11H,4,12-13H2,1-3H3"	CCOC(=O)C1(CC2=C(C1=O)C=C(C=C2)C)CC3=CC=C(C=C3)C	MDXXMGCOWMNOSP-UHFFFAOYSA-N
DG55806	"Methyl 2-((1-oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)methyl)benzoate"	382689	"NSC670337; MLS002702226; Methyl 2-((1-oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)methyl)benzoate; CHEMBL1727944; methyl 2-[(3-oxo-2,5,6,7-tetrahydro-1H-s-indacen-2-yl)methyl]benzoate; NSC-670337; NCI60_024749; SMR001565789"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670337	.	.	.	.	320.4	C21H20O3	43.4	499	4.3	24	0	3	4	"InChI=1S/C21H20O3/c1-24-21(23)18-8-3-2-5-15(18)10-17-11-16-9-13-6-4-7-14(13)12-19(16)20(17)22/h2-3,5,8-9,12,17H,4,6-7,10-11H2,1H3"	COC(=O)C1=CC=CC=C1CC2CC3=C(C2=O)C=C4CCCC4=C3	QPIUDTVBNKEUGK-UHFFFAOYSA-N
DG55807	Bis[(4-nitrophenyl)methyl] 2-[[2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]pentanedioate	382702	NSC670350; CHEMBL1980786; NSC-670350; NCI60_024762; Bis(4-(hydroxy(oxido)amino)benzyl) 2-((2-((tert-butoxycarbonyl)amino)-4-methylpentanoyl)amino)pentanedioate; bis[(4-nitrophenyl)methyl] 2-[[2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]pentanedioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670350	.	.	.	.	630.6	C30H38N4O11	212	1020	4.8	45	2	11	17	"InChI=1S/C30H38N4O11/c1-19(2)16-25(32-29(38)45-30(3,4)5)27(36)31-24(28(37)44-18-21-8-12-23(13-9-21)34(41)42)14-15-26(35)43-17-20-6-10-22(11-7-20)33(39)40/h6-13,19,24-25H,14-18H2,1-5H3,(H,31,36)(H,32,38)"	CC(C)CC(C(=O)NC(CCC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C	GVFHDMKMODEFLZ-UHFFFAOYSA-N
DG55808	Benzyl 2-[[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]acetate	382709	"NSC670358; CHEMBL1999281; NSC-670358; Benzyl 6,9-dibenzyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate; NCI60_024770; benzyl 2-[[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670358	.	.	.	.	559.7	C32H37N3O6	123	839	5	41	3	6	15	"InChI=1S/C32H37N3O6/c1-32(2,3)41-31(39)35-27(20-24-15-9-5-10-16-24)30(38)34-26(19-23-13-7-4-8-14-23)29(37)33-21-28(36)40-22-25-17-11-6-12-18-25/h4-18,26-27H,19-22H2,1-3H3,(H,33,37)(H,34,38)(H,35,39)"	CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)OCC3=CC=CC=C3	JPDGNINPUJKJHT-UHFFFAOYSA-N
DG55809	"Methyl 6,9-dibenzyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate"	382710	"NSC670359; Methyl 6,9-dibenzyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate; NSC-670359; NCI60_024771; methyl 2-[[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670359	.	.	.	.	483.6	C26H33N3O6	123	708	2.8	35	3	6	13	"InChI=1S/C26H33N3O6/c1-26(2,3)35-25(33)29-21(16-19-13-9-6-10-14-19)24(32)28-20(15-18-11-7-5-8-12-18)23(31)27-17-22(30)34-4/h5-14,20-21H,15-17H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)"	CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)OC	BUYTXNVXDQJVME-UHFFFAOYSA-N
DG55810	Benzyl 2-[[2-[[3-benzyloxy-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate	382711	"NSC670360; CHEMBL1972145; NSC-670360; NCI60_024772; benzyl 2-[[2-[[3-benzyloxy-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate; Benzyl 9-benzyl-6-((benzyloxy)methyl)-12-isobutyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670360	.	.	.	.	645.8	C37H47N3O7	132	964	6.1	47	3	7	19	"InChI=1S/C37H47N3O7/c1-26(2)21-31(35(43)46-24-29-19-13-8-14-20-29)39-33(41)30(22-27-15-9-6-10-16-27)38-34(42)32(40-36(44)47-37(3,4)5)25-45-23-28-17-11-7-12-18-28/h6-20,26,30-32H,21-25H2,1-5H3,(H,38,42)(H,39,41)(H,40,44)"	CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(COCC3=CC=CC=C3)NC(=O)OC(C)(C)C	QRTAICOFOHHOKD-UHFFFAOYSA-N
DG55811	"Benzyl 6-benzyl-9-isopropyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate"	382712	"NSC670361; Benzyl 6-benzyl-9-isopropyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate; CHEMBL1972896; ZINC06003438; NSC-670361; NCI60_024773; benzyl 2-[[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670361	.	.	.	.	511.6	C28H37N3O6	123	752	4	37	3	6	14	"InChI=1S/C28H37N3O6/c1-19(2)24(26(34)29-17-23(32)36-18-21-14-10-7-11-15-21)31-25(33)22(16-20-12-8-6-9-13-20)30-27(35)37-28(3,4)5/h6-15,19,22,24H,16-18H2,1-5H3,(H,29,34)(H,30,35)(H,31,33)"	CC(C)C(C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C	DFSIACYJONKASS-UHFFFAOYSA-N
DG55812	"5-Allyl-6-isopropyl-1-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)hexahydro-1H-pyrrolo[3,4-c]isoxazole"	382714	"NSC670363; NSC-670363; 1-((5-Allyl-6-isopropylhexahydro-1H-pyrrolo[3,4-c]isoxazol-1-yl)carbonyl)-2,2,2-trifluoro-1-phenylethyl methyl ether; 5-Allyl-6-isopropyl-1-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)hexahydro-1H-pyrrolo[3,4-c]isoxazole; NCI60_024775; 1-(5-allyl-6-isopropyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-c]isoxazol-1-yl)-3,3,3-trifluoro-2-methoxy-2-phenyl-propan-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670363	.	.	.	.	412.4	C21H27F3N2O3	42	607	4.2	29	0	7	6	"InChI=1S/C21H27F3N2O3/c1-5-11-25-12-15-13-29-26(18(15)17(25)14(2)3)19(27)20(28-4,21(22,23)24)16-9-7-6-8-10-16/h5-10,14-15,17-18H,1,11-13H2,2-4H3"	CC(C)C1C2C(CN1CC=C)CON2C(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC	OQGASQZCWZYGPQ-UHFFFAOYSA-N
DG55813	"1,2-Hydrazinedicarboxylic acid, 1-[5-[(4-methoxyphenyl)azo]-1-methyl-1H-pyrrol-2-yl]-, diethyl ester"	382725	"NSC670398; 1,2-Hydrazinedicarboxylic acid, 1-[5-[(4-methoxyphenyl)azo]-1-methyl-1H-pyrrol-2-yl]-, diethyl ester; CHEMBL1972165; ZINC17824597; ZINC104310753; NSC-670398; NCI60_024785; ethyl N-(ethoxycarbonylamino)-N-[5-[(E)-(4-methoxyphenyl)azo]-1-methyl-pyrrol-2-yl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670398	.	.	.	.	389.4	C18H23N5O5	107	539	3.5	28	1	7	8	"InChI=1S/C18H23N5O5/c1-5-27-17(24)21-23(18(25)28-6-2)16-12-11-15(22(16)3)20-19-13-7-9-14(26-4)10-8-13/h7-12H,5-6H2,1-4H3,(H,21,24)"	CCOC(=O)NN(C1=CC=C(N1C)N=NC2=CC=C(C=C2)OC)C(=O)OCC	AYHQWLTYYLIDSW-UHFFFAOYSA-N
DG55814	"Spiro[s-indacene-2(5H),2'-[2H]inden]-5-one, 1,1',3,3',6,7-hexahydro-"	382726	"NSC670404; CHEMBL2004068; ZINC1855590; Spiro[s-indacene-2(5H),2'-[2H]inden]-5-one, 1,1',3,3',6,7-hexahydro-; NSC-670404; NCI60_024786; spiro[2,3,5,7-tetrahydro-s-indacene-6,2'-indane]-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670404	.	.	.	.	274.4	C20H18O	17.1	439	4.1	21	0	1	0	"InChI=1S/C20H18O/c21-19-6-5-13-7-16-11-20(12-17(16)8-18(13)19)9-14-3-1-2-4-15(14)10-20/h1-4,7-8H,5-6,9-12H2"	C1CC(=O)C2=CC3=C(CC4(C3)CC5=CC=CC=C5C4)C=C21	ISLTYRHFOQTLHD-UHFFFAOYSA-N
DG55815	"Spiro[2,3,6,8-tetrahydro-as-indacene-7,2'-indane]-1-one"	382727	"NSC670405; CHEMBL2001135; NSC-670405; NCI60_024787; spiro[2,3,6,8-tetrahydro-as-indacene-7,2'-indane]-1-one; Spiro[as-indacene-2(8H),2'-[2H]inden]-8-one, 1,1',3,3',6,7-hexahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670405	.	.	.	.	274.4	C20H18O	17.1	439	4.1	21	0	1	0	"InChI=1S/C20H18O/c21-18-8-7-13-5-6-16-11-20(12-17(16)19(13)18)9-14-3-1-2-4-15(14)10-20/h1-6H,7-12H2"	C1CC(=O)C2=C1C=CC3=C2CC4(C3)CC5=CC=CC=C5C4	VIYSOHHDMOPNTG-UHFFFAOYSA-N
DG55816	"spiro[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene-2,2'-indane]-5-one"	382728	"NSC670406; CHEMBL1985101; ZINC1855594; NSC-670406; NCI60_024788; spiro[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene-2,2'-indane]-5-one; Spiro[2H-benz[f]indene-2,2'-[2H]inden]-5(1H)-one, 1',3,3',6,7,8-hexahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670406	.	.	.	.	288.4	C21H20O	17.1	453	4.4	22	0	1	0	"InChI=1S/C21H20O/c22-20-7-3-6-14-8-17-12-21(13-18(17)9-19(14)20)10-15-4-1-2-5-16(15)11-21/h1-2,4-5,8-9H,3,6-7,10-13H2"	C1CC2=CC3=C(CC4(C3)CC5=CC=CC=C5C4)C=C2C(=O)C1	SONBYSKLYGUMEL-UHFFFAOYSA-N
DG55817	"Spiro[2H-benz[e]indene-2,2'-[2H]inden]-9(1H)-one, 1',3,3',6,7,8-hexahydro-"	382729	"NSC670407; Spiro[2H-benz[e]indene-2,2'-[2H]inden]-9(1H)-one, 1',3,3',6,7,8-hexahydro-; CHEMBL1985528; ZINC1855596; NSC-670407; NCI60_024789; spiro[3,6,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-2,2'-indane]-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670407	.	.	.	.	288.4	C21H20O	17.1	453	4.4	22	0	1	0	"InChI=1S/C21H20O/c22-19-7-3-6-14-8-9-17-12-21(13-18(17)20(14)19)10-15-4-1-2-5-16(15)11-21/h1-2,4-5,8-9H,3,6-7,10-13H2"	C1CC2=C(C(=O)C1)C3=C(CC4(C3)CC5=CC=CC=C5C4)C=C2	HUSPSXFJPYVDBW-UHFFFAOYSA-N
DG55818	"Spiro[s-indacene-2(5H),2'-[2H]inden]-5-one, 5'-acetyl-1,1',3,3',6,7-hexahydro-"	382730	"NSC670408; MLS002702227; CHEMBL1713448; NSC-670408; Spiro[s-indacene-2(5H),2'-[2H]inden]-5-one, 5'-acetyl-1,1',3,3',6,7-hexahydro-; NCI60_024790; SMR001565790; 5'-acetylspiro[2,3,5,7-tetrahydro-s-indacene-6,2'-indane]-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670408	.	.	.	.	316.4	C22H20O2	34.1	566	3.7	24	0	2	1	"InChI=1S/C22H20O2/c1-13(23)14-2-3-16-9-22(10-17(16)6-14)11-18-7-15-4-5-21(24)20(15)8-19(18)12-22/h2-3,6-8H,4-5,9-12H2,1H3"	CC(=O)C1=CC2=C(CC3(C2)CC4=C(C3)C=C5C(=C4)CCC5=O)C=C1	JQIMPXNUWOWHDI-UHFFFAOYSA-N
DG55819	"Spiro[s-indacene-2(5H),2'-[2H]inden]-5-one, 5'-ethyl-1,1',3,3',6,7-hexahydro-"	382731	"NSC670409; CHEMBL1996001; NSC-670409; Spiro[s-indacene-2(5H),2'-[2H]inden]-5-one, 5'-ethyl-1,1',3,3',6,7-hexahydro-; NCI60_024791; 5'-ethylspiro[2,3,5,7-tetrahydro-s-indacene-6,2'-indane]-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670409	.	.	.	.	302.4	C22H22O	17.1	496	4.9	23	0	1	1	"InChI=1S/C22H22O/c1-2-14-3-4-16-10-22(11-17(16)7-14)12-18-8-15-5-6-21(23)20(15)9-19(18)13-22/h3-4,7-9H,2,5-6,10-13H2,1H3"	CCC1=CC2=C(CC3(C2)CC4=C(C3)C=C5C(=C4)CCC5=O)C=C1	FCCCCACUPCHESA-UHFFFAOYSA-N
DG55820	"Spiro[2H-benz[e]indene-2,2'-[2H]indene]-5'-butanoic acid, 1,1',3,3',6,7,8,9-octahydro-g,6-dioxo-, methyl ester"	382732	"NSC670410; CHEMBL2005137; NSC-670410; NCI60_024792; Spiro[2H-benz[e]indene-2,2'-[2H]indene]-5'-butanoic acid, 1,1',3,3',6,7,8,9-octahydro-g,6-dioxo-, methyl ester; methyl 4-oxo-4-(6-oxospiro[3,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene-2,2'-indane]-5'-yl)butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670410	.	.	.	.	402.5	C26H26O4	60.4	714	3.9	30	0	4	5	"InChI=1S/C26H26O4/c1-30-25(29)10-9-23(27)16-5-6-17-12-26(14-19(17)11-16)13-18-7-8-21-20(22(18)15-26)3-2-4-24(21)28/h5-8,11H,2-4,9-10,12-15H2,1H3"	COC(=O)CCC(=O)C1=CC2=C(CC3(C2)CC4=C(C3)C5=C(C=C4)C(=O)CCC5)C=C1	XWFALCLNUQKGLQ-UHFFFAOYSA-N
DG55821	"Spiro[2H-benz[f]indene-2,2'-[2H]indene]-5'-butanoic acid, 1,1',3,3',5,6,7,8-octahydro-"	382733	"NSC670411; Spiro[2H-benz[f]indene-2,2'-[2H]indene]-5'-butanoic acid, 1,1',3,3',5,6,7,8-octahydro-; CHEMBL1976746; ZINC1855604; NSC-670411; NCI60_024793; 4-spiro[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene-2,2'-indane]-5'-ylbutanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670411	.	.	.	.	360.5	C25H28O2	37.3	533	5.8	27	1	2	4	"InChI=1S/C25H28O2/c26-24(27)7-3-4-17-8-9-20-13-25(14-21(20)10-17)15-22-11-18-5-1-2-6-19(18)12-23(22)16-25/h8-12H,1-7,13-16H2,(H,26,27)"	C1CCC2=CC3=C(CC4(C3)CC5=C(C4)C=C(C=C5)CCCC(=O)O)C=C2C1	UBAIIKBHNNYSPV-UHFFFAOYSA-N
DG55822	"Spiro[2H-benz[f]indene-2,2'-[2H]indene]-5'-butanoic acid, 1,1',3,3',5,6,7,8-octahydro-, methyl ester"	382734	"NSC670412; Spiro[2H-benz[f]indene-2,2'-[2H]indene]-5'-butanoic acid, 1,1',3,3',5,6,7,8-octahydro-, methyl ester; CHEMBL1973975; ZINC1855606; NSC-670412; NCI60_024794; methyl 4-spiro[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene-2,2'-indane]-5'-ylbutanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670412	.	.	.	.	374.5	C26H30O2	26.3	547	6.1	28	0	2	5	"InChI=1S/C26H30O2/c1-28-25(27)8-4-5-18-9-10-21-14-26(15-22(21)11-18)16-23-12-19-6-2-3-7-20(19)13-24(23)17-26/h9-13H,2-8,14-17H2,1H3"	COC(=O)CCCC1=CC2=C(CC3(C2)CC4=C(C3)C=C5CCCCC5=C4)C=C1	YUPXUMMFBQPHHU-UHFFFAOYSA-N
DG55823	"Spiro[as-indacene-2(8H),2'-[2H]inden]-8-one, 5-ethyl-1,1',3,3',6,7-hexahydro-5'-methyl-"	382735	"NSC670413; CHEMBL1969925; NSC-670413; Spiro[as-indacene-2(8H),2'-[2H]inden]-8-one, 5-ethyl-1,1',3,3',6,7-hexahydro-5'-methyl-; NCI60_024795; 4-ethyl-5'-methyl-spiro[2,3,6,8-tetrahydro-as-indacene-7,2'-indane]-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670413	.	.	.	.	316.4	C23H24O	17.1	524	5.2	24	0	1	1	"InChI=1S/C23H24O/c1-3-15-9-18-12-23(10-16-5-4-14(2)8-17(16)11-23)13-20(18)22-19(15)6-7-21(22)24/h4-5,8-9H,3,6-7,10-13H2,1-2H3"	CCC1=C2CCC(=O)C2=C3CC4(CC5=C(C4)C=C(C=C5)C)CC3=C1	VJQTVZXAZKJTFN-UHFFFAOYSA-N
DG55824	"2,2'-Spirobi[2H-indene]-5-carboxaldehyde, 1,1',3,3'-tetrahydro-"	382736	"NSC670414; 2,2'-Spirobi[2H-indene]-5-carboxaldehyde, 1,1',3,3'-tetrahydro-; CHEMBL1970335; 2,2'-Spirobiindan-5-carbaldehyd; ZINC1855610; NSC-670414; 2,2'-spirobi[indane]-5'-carbaldehyde; NCI60_024796"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670414	.	.	.	.	248.3	C18H16O	17.1	347	3.8	19	0	1	1	"InChI=1S/C18H16O/c19-12-13-5-6-16-10-18(11-17(16)7-13)8-14-3-1-2-4-15(14)9-18/h1-7,12H,8-11H2"	C1C2=C(CC13CC4=CC=CC=C4C3)C=C(C=C2)C=O	LWQRLWQWMXFJQD-UHFFFAOYSA-N
DG55825	"2,2'-Spirobi[2H-indene]-5-propanoic acid, 1,1',3,3'-tetrahydro-"	382739	"NSC670417; 2,2'-Spirobi[2H-indene]-5-propanoic acid, 1,1',3,3'-tetrahydro-; CHEMBL1965271; ZINC1855622; NSC-670417; NCI60_024799; 3-(2,2'-spirobi[indane]-5'-yl)propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670417	.	.	.	.	292.4	C20H20O2	37.3	415	4.1	22	1	2	3	"InChI=1S/C20H20O2/c21-19(22)8-6-14-5-7-17-12-20(13-18(17)9-14)10-15-3-1-2-4-16(15)11-20/h1-5,7,9H,6,8,10-13H2,(H,21,22)"	C1C2=C(CC13CC4=CC=CC=C4C3)C=C(C=C2)CCC(=O)O	UJQZMEIQNVWTFM-UHFFFAOYSA-N
DG55826	"2,2'-Spirobi[2H-indene]-5-propanoic acid, 1,1',3,3'-tetrahydro-, methyl ester"	382740	"NSC670418; 2,2'-Spirobi[2H-indene]-5-propanoic acid, 1,1',3,3'-tetrahydro-, methyl ester; CHEMBL1999871; ZINC1855624; NSC-670418; NCI60_024800; methyl 3-(2,2'-spirobi[indane]-5'-yl)propanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670418	.	.	.	.	306.4	C21H22O2	26.3	429	4.4	23	0	2	4	"InChI=1S/C21H22O2/c1-23-20(22)9-7-15-6-8-18-13-21(14-19(18)10-15)11-16-4-2-3-5-17(16)12-21/h2-6,8,10H,7,9,11-14H2,1H3"	COC(=O)CCC1=CC2=C(CC3(C2)CC4=CC=CC=C4C3)C=C1	FBSPLRDIDLJAFT-UHFFFAOYSA-N
DG55827	"Methyl 4-oxo-4-(2,2'-spirobi[indane]-5'-yl)butanoate"	382741	"NSC670419; CHEMBL1995656; NSC-670419; NCI60_024801; methyl 4-oxo-4-(2,2'-spirobi[indane]-5'-yl)butanoate; 2,2'-Spirobi[2H-indene]-5-butanoic acid, 1,1',3,3'-tetrahydro-.gamma.-oxo-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670419	.	.	.	.	334.4	C22H22O3	43.4	511	3.8	25	0	3	5	"InChI=1S/C22H22O3/c1-25-21(24)9-8-20(23)15-6-7-18-13-22(14-19(18)10-15)11-16-4-2-3-5-17(16)12-22/h2-7,10H,8-9,11-14H2,1H3"	COC(=O)CCC(=O)C1=CC2=C(CC3(C2)CC4=CC=CC=C4C3)C=C1	YBVFROAFJDNDDP-UHFFFAOYSA-N
DG55828	"2,2'-Spirobi[2H-indene]-5-butanoic acid, 1,1',3,3'-tetrahydro-, methyl ester"	382742	"NSC670420; 2,2'-Spirobi[2H-indene]-5-butanoic acid, 1,1',3,3'-tetrahydro-, methyl ester; CHEMBL1987014; ZINC1855627; NSC-670420; NCI60_024802; methyl 4-(2,2'-spirobi[indane]-5'-yl)butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670420	.	.	.	.	320.4	C22H24O2	26.3	443	4.8	24	0	2	5	"InChI=1S/C22H24O2/c1-24-21(23)8-4-5-16-9-10-19-14-22(15-20(19)11-16)12-17-6-2-3-7-18(17)13-22/h2-3,6-7,9-11H,4-5,8,12-15H2,1H3"	COC(=O)CCCC1=CC2=C(CC3(C2)CC4=CC=CC=C4C3)C=C1	YFRPNPMAVUXPII-UHFFFAOYSA-N
DG55829	"2,2'-Spirobi[2H-indene]-5,5'-dicarboxaldehyde, 1,1',3,3'-tetrahydro-"	382743	"NSC670421; 2,2'-Spirobi[2H-indene]-5,5'-dicarboxaldehyde, 1,1',3,3'-tetrahydro-; 109881-37-0; CHEMBL1964645; DTXSID30327616; ZINC1855629; NSC-670421; NCI60_024803; 2,2'-spirobi[indane]-5,5'-dicarbaldehyde; (+)-2,2'-Spirobiindan-5,5'-dicarbaldehyd"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670421	.	.	.	.	276.3	C19H16O2	34.1	389	3.2	21	0	2	2	"InChI=1S/C19H16O2/c20-11-13-1-3-15-7-19(9-17(15)5-13)8-16-4-2-14(12-21)6-18(16)10-19/h1-6,11-12H,7-10H2"	C1C2=C(CC13CC4=C(C3)C=C(C=C4)C=O)C=C(C=C2)C=O	VPVBRPGAAPMUKK-UHFFFAOYSA-N
DG55830	"2,2'-Spirobi[2H-indene]-5,5'-dipropanoic acid, 1,1',3,3'-tetrahydro-, dimethyl ester"	382745	"NSC670423; 2,2'-Spirobi[2H-indene]-5,5'-dipropanoic acid, 1,1',3,3'-tetrahydro-, dimethyl ester; CHEMBL1980028; ZINC1855641; NSC-670423; NCI60_024805; methyl 3-[5'-(3-methoxy-3-oxo-propyl)-2,2'-spirobi[indane]-5-yl]propanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670423	.	.	.	.	392.5	C25H28O4	52.6	548	4.5	29	0	4	8	"InChI=1S/C25H28O4/c1-28-23(26)9-5-17-3-7-19-13-25(15-21(19)11-17)14-20-8-4-18(12-22(20)16-25)6-10-24(27)29-2/h3-4,7-8,11-12H,5-6,9-10,13-16H2,1-2H3"	COC(=O)CCC1=CC2=C(CC3(C2)CC4=C(C3)C=C(C=C4)CCC(=O)OC)C=C1	UAQQDFQKGYGTSM-UHFFFAOYSA-N
DG55831	"Methyl 4-[5'-(4-methoxy-4-oxobutanoyl)-2,2'-spirobi[1,3-dihydroindene]-5-yl]-4-oxobutanoate"	382746	"NSC670424; CHEMBL2004427; ZINC1855642; NSC-670424; NCI60_024806; methyl 4-[5'-(4-methoxy-4-oxo-butanoyl)-2,2'-spirobi[indane]-5-yl]-4-oxo-butanoate; 2,2'-Spirobi[2H-indene]-5,5'-dibutanoic acid, 1,1',3,3'-tetrahydro-.gamma.,.gamma.'-dioxo-, dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670424	.	.	.	.	448.5	C27H28O6	86.7	709	3.2	33	0	6	10	"InChI=1S/C27H28O6/c1-32-25(30)9-7-23(28)17-3-5-19-13-27(15-21(19)11-17)14-20-6-4-18(12-22(20)16-27)24(29)8-10-26(31)33-2/h3-6,11-12H,7-10,13-16H2,1-2H3"	COC(=O)CCC(=O)C1=CC2=C(CC3(C2)CC4=C(C3)C=C(C=C4)C(=O)CCC(=O)OC)C=C1	GVTTXKYYMOVXNU-UHFFFAOYSA-N
DG55832	"Ethanone, 1-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]inden]-4-yl)-"	382748	"NSC670426; Ethanone, 1-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]inden]-4-yl)-; CHEMBL1980437; NSC-670426; 1-(2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]-4'-yl)ethanone; NCI60_024808; 4-Acetyl-2,2'-spirobi-(5,6,7,8-tetrahydrobenzo[f]indan)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670426	.	.	.	.	370.5	C27H30O	17.1	600	6.8	28	0	1	1	"InChI=1S/C27H30O/c1-17(28)26-24-9-5-4-8-20(24)12-23-15-27(16-25(23)26)13-21-10-18-6-2-3-7-19(18)11-22(21)14-27/h10-12H,2-9,13-16H2,1H3"	CC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C=C6CCCCC6=C5	LAKZBSIRIVSSBG-UHFFFAOYSA-N
DG55833	"2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester"	382749	"NSC670427; 2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester; CHEMBL1982930; ZINC1855654; NSC-670427; methyl 2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]-4'-carboxylate; NCI60_024809"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670427	.	.	.	.	386.5	C27H30O2	26.3	618	6.9	29	0	2	2	"InChI=1S/C27H30O2/c1-29-26(28)25-23-9-5-4-8-19(23)12-22-15-27(16-24(22)25)13-20-10-17-6-2-3-7-18(17)11-21(20)14-27/h10-12H,2-9,13-16H2,1H3"	COC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C=C6CCCCC6=C5	QHYXYMLEDJUNMQ-UHFFFAOYSA-N
DG55834	"2,2'-Spirobi[2H-benz[f]inden]-5(1H)-one, 4'-acetyl-1',3,3',5',6,6',7,7',8,8'-decahydro-"	382750	"NSC670428; 2,2'-Spirobi[2H-benz[f]inden]-5(1H)-one, 4'-acetyl-1',3,3',5',6,6',7,7',8,8'-decahydro-; CHEMBL2006150; NSC-670428; 4-acetylspiro[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene-2,2'-3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5'-one; NCI60_024810"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670428	.	.	.	.	384.5	C27H28O2	34.1	697	5.5	29	0	2	1	"InChI=1S/C27H28O2/c1-16(28)26-22-7-3-2-5-17(22)10-21-14-27(15-24(21)26)12-19-9-18-6-4-8-25(29)23(18)11-20(19)13-27/h9-11H,2-8,12-15H2,1H3"	CC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C=C6C(=C5)CCCC6=O	GCPNCPDTRKNBFJ-UHFFFAOYSA-N
DG55835	"Ethanone, 1,1'-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]indene]-4,4'-diyl)bis-"	382751	"NSC670429; Ethanone, 1,1'-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]indene]-4,4'-diyl)bis-; CHEMBL1982615; NSC-670429; 1-(4'-acetyl-2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]-4-yl)ethanone; NCI60_024811"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670429	.	.	.	.	412.6	C29H32O2	34.1	677	6.4	31	0	2	2	"InChI=1S/C29H32O2/c1-17(30)27-23-9-5-3-7-19(23)11-21-13-29(15-25(21)27)14-22-12-20-8-4-6-10-24(20)28(18(2)31)26(22)16-29/h11-12H,3-10,13-16H2,1-2H3"	CC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C(=O)C	DDMIKPVJXHNTNU-UHFFFAOYSA-N
DG55836	"2,2'-Spirobi[2H-benz[f]indene]-4,4'-dicarboxaldehyde, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-"	382752	"NSC670430; 2,2'-Spirobi[2H-benz[f]indene]-4,4'-dicarboxaldehyde, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-; CHEMBL1979016; ZINC1855659; NSC-670430; 2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]-4,4'-dicarbaldehyde; NCI60_024812; 2,2'-Spirobi-(5,6,7,8-tetrahydrobenzo[f]indan)-4,4'-dicarbaldehyd"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670430	.	.	.	.	384.5	C27H28O2	34.1	599	6	29	0	2	2	"InChI=1S/C27H28O2/c28-15-25-21-7-3-1-5-17(21)9-19-11-27(13-23(19)25)12-20-10-18-6-2-4-8-22(18)26(16-29)24(20)14-27/h9-10,15-16H,1-8,11-14H2"	C1CCC2=C(C3=C(CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C=O)C=C2C1)C=O	ZWQLBQFKDGWFBS-UHFFFAOYSA-N
DG55837	"2,2'-Spirobi[2H-benz[f]indene]-4,4'-dicarboxylic acid, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, dimethyl ester"	382753	"NSC670431; 2,2'-Spirobi[2H-benz[f]indene]-4,4'-dicarboxylic acid, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, dimethyl ester; CHEMBL1976140; NSC-670431; dimethyl 2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]-4,4'-dicarboxylate; NCI60_024813"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670431	.	.	.	.	444.6	C29H32O4	52.6	712	6.8	33	0	4	4	"InChI=1S/C29H32O4/c1-32-27(30)25-21-9-5-3-7-17(21)11-19-13-29(15-23(19)25)14-20-12-18-8-4-6-10-22(18)26(24(20)16-29)28(31)33-2/h11-12H,3-10,13-16H2,1-2H3"	COC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C(=O)OC	BMILKYGZWIJPNH-UHFFFAOYSA-N
DG55838	"2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 4'-acetyl-1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester"	382754	"NSC670432; 2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 4'-acetyl-1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester; CHEMBL2002153; NSC-670432; methyl 4-acetyl-2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]-4'-carboxylate; NCI60_024814"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670432	.	.	.	.	428.6	C29H32O3	43.4	760	6.6	32	0	3	3	"InChI=1S/C29H32O3/c1-17(30)26-22-9-5-3-7-18(22)11-20-13-29(15-24(20)26)14-21-12-19-8-4-6-10-23(19)27(25(21)16-29)28(31)32-2/h11-12H,3-10,13-16H2,1-2H3"	CC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C(=O)OC	VVJDYOLCEIQYJL-UHFFFAOYSA-N
DG55839	"2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 4'-formyl-1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester"	382755	"NSC670433; 2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 4'-formyl-1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester; CHEMBL1978681; NSC-670433; methyl 4-formyl-2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]-4'-carboxylate; NCI60_024815"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670433	.	.	.	.	414.5	C28H30O3	43.4	717	6.4	31	0	3	3	"InChI=1S/C28H30O3/c1-31-27(30)26-22-9-5-3-7-18(22)11-20-13-28(15-24(20)26)12-19-10-17-6-2-4-8-21(17)25(16-29)23(19)14-28/h10-11,16H,2-9,12-15H2,1H3"	COC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C=O	DUJICMBMSJYNPU-UHFFFAOYSA-N
DG55840	"2,2'(1H,1'H)-Spirobi[s-indacene]-4,4'-dicarboxaldehyde, 3,3',5,5',6,6',7,7'-octahydro-"	382759	"NSC670437; 2,2'(1H,1'H)-Spirobi[s-indacene]-4,4'-dicarboxaldehyde, 3,3',5,5',6,6',7,7'-octahydro-; CHEMBL2002467; 6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4,4'-dicarbaldehyde; NSC-670437; NCI60_024819"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670437	.	.	.	.	356.5	C25H24O2	34.1	572	4.9	27	0	2	2	"InChI=1S/C25H24O2/c26-13-23-19-5-1-3-15(19)7-17-9-25(11-21(17)23)10-18-8-16-4-2-6-20(16)24(14-27)22(18)12-25/h7-8,13-14H,1-6,9-12H2"	C1CC2=CC3=C(CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)C=O)C(=C2C1)C=O	ITSVOCHDTFUUAB-UHFFFAOYSA-N
DG55841	"1-[4'-(1-hydroxyethyl)-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4-yl]ethanol"	382761	"NSC670439; CHEMBL1988596; NSC-670439; 1-[4'-(1-hydroxyethyl)-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4-yl]ethanol; NCI60_024821; 2,2'(1H,1'H)-Spirobi[s-indacene]-4,4'-dimethanol, 3,3',5,5',6,6',7,7'-octahydro-.alpha.,.alpha.'-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670439	.	.	.	.	388.5	C27H32O2	40.5	576	5	29	2	2	2	"InChI=1S/C27H32O2/c1-15(28)25-21-7-3-5-17(21)9-19-11-27(13-23(19)25)12-20-10-18-6-4-8-22(18)26(16(2)29)24(20)14-27/h9-10,15-16,28-29H,3-8,11-14H2,1-2H3"	CC(C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)C(C)O)O	ZHTIYCLFXYIHRK-UHFFFAOYSA-N
DG55842	"spiro[3,6,7,8-tetrahydro-as-indacene-2,2'-5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalene]-1,3'-dione"	382775	"NSC670453; CHEMBL1982114; NSC-670453; NCI60_024835; Spiro[2H-benz[f]indene-2,2'(1'H)-[as]indacene]-1,1'(3H)-dione, 3',5,6,6',7,7',8,8'-octahydro-; spiro[3,6,7,8-tetrahydro-as-indacene-2,2'-5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalene]-1,3'-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670453	.	.	.	.	342.4	C24H22O2	34.1	638	5.4	26	0	2	0	"InChI=1S/C24H22O2/c25-22-20-11-16-5-2-1-4-15(16)10-18(20)13-24(22)12-17-9-8-14-6-3-7-19(14)21(17)23(24)26/h8-11H,1-7,12-13H2"	C1CCC2=CC3=C(CC4(C3=O)CC5=C(C4=O)C6=C(CCC6)C=C5)C=C2C1	ZHIALTHOBMPSQK-UHFFFAOYSA-N
DG55843	"5,6-Dimethyl-2,4-bis(methylsulfonyl)-7-phenyl-7H-pyrrolo[2,3-d]pyrimidine"	382814	"NSC670550; 5,6-Dimethyl-2,4-bis(methylsulfonyl)-7-phenyl-7H-pyrrolo[2,3-d]pyrimidine; CHEMBL1977230; ZINC1855819; NSC-670550; NCI60_024856; 7H-Pyrrolo[2, 5,6-dimethyl- 2,4-bis(methylsulfonyl)-7-phenyl-; 5,6-dimethyl-2,4-bis(methylsulfonyl)-7-phenyl-pyrrolo[2,3-d]pyrimidine; {7H-Pyrrolo[2,3-d]pyrimidine,} 5,6-dimethyl- 2, 4-bis(methylsulfonyl)-7-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670550	.	.	.	.	379.5	C16H17N3O4S2	116	692	2.2	25	0	6	3	"InChI=1S/C16H17N3O4S2/c1-10-11(2)19(12-8-6-5-7-9-12)14-13(10)15(24(3,20)21)18-16(17-14)25(4,22)23/h5-9H,1-4H3"	CC1=C(N(C2=C1C(=NC(=N2)S(=O)(=O)C)S(=O)(=O)C)C3=CC=CC=C3)C	XBWWRSWVCDDZLR-UHFFFAOYSA-N
DG55844	"9-(1-Phenylethyl)-9H-pyrimido[4,5-b]indol-4-amine"	382815	"NSC670551; CHEMBL84331; 9-(1-Phenylethyl)-9H-pyrimido[4,5-b]indol-4-amine; 9-(1-phenylethyl)pyrimido[4,5-b]indol-4-amine; BDBM50051656; NSC-670551; NCI60_024857; 9-(1-Phenyl-ethyl)-9H-pyrimido[4,5-b]indol-4-ylamine; 9-(1-Phenylethyl)-9H-pyrimido[4,5-b]indol-4-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670551	.	.	.	.	288.3	C18H16N4	56.7	381	3.6	22	1	3	2	"InChI=1S/C18H16N4/c1-12(13-7-3-2-4-8-13)22-15-10-6-5-9-14(15)16-17(19)20-11-21-18(16)22/h2-12H,1H3,(H2,19,20,21)"	CC(C1=CC=CC=C1)N2C3=CC=CC=C3C4=C(N=CN=C42)N	MROOOCJVUYFRAZ-UHFFFAOYSA-N
DG55845	"2-(p-Tolyl)pyrimido[2,1-b][1,3]benzoxazol-5-ium hydroiodide"	382822	"NSC670558; CHEMBL2003479; NSC-670558; 2-p-Tolyl-9-oxa-1-aza-4a-azonia-fluorene; 2-(p-tolyl)pyrimido[2,1-b][1,3]benzoxazol-5-ium hydroiodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670558	.	.	.	.	388.2	C17H13IN2O	30.1	340	.	21	0	3	1	"InChI=1S/C17H13N2O.HI/c1-12-6-8-13(9-7-12)14-10-11-19-15-4-2-3-5-16(15)20-17(19)18-14;/h2-11H,1H3;1H/q+1;/p-1"	CC1=CC=C(C=C1)C2=NC3=[N+](C=C2)C4=CC=CC=C4O3.[I-]	UJQUMCILSTWUSH-UHFFFAOYSA-M
DG55846	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(2,2,2-trichloroethyl) phosphate"	382829	NSC670653; CHEMBL1979895; NSC-670653; NCI60_024870	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670653	.	.	.	.	588.9	C13H14Cl6FN2O8P	124	756	2	31	2	9	8	"InChI=1S/C13H14Cl6FN2O8P/c14-12(15,16)4-28-31(26,29-5-13(17,18)19)27-3-8-7(23)1-9(30-8)22-2-6(20)10(24)21-11(22)25/h2,7-9,23H,1,3-5H2,(H,21,24,25)"	C1C(C(OC1N2C=C(C(=O)NC2=O)F)COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)O	IBTKQXCOBNNMMN-UHFFFAOYSA-N
DG55847	"[2-[Bis(2,2,2-trichloroethoxy)phosphoryloxymethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] butanoate"	382830	NSC670654; CHEMBL1965515; NSC-670654; NCI60_024871	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670654	.	.	.	.	659	C17H20Cl6FN2O9P	130	894	3.4	36	1	10	12	"InChI=1S/C17H20Cl6FN2O9P/c1-2-3-13(27)35-10-4-12(26-5-9(24)14(28)25-15(26)29)34-11(10)6-31-36(30,32-7-16(18,19)20)33-8-17(21,22)23/h5,10-12H,2-4,6-8H2,1H3,(H,25,28,29)"	CCCC(=O)OC1CC(OC1COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)N2C=C(C(=O)NC2=O)F	MVHMLFUBYIRNJA-UHFFFAOYSA-N
DG55848	NSC670663	382833	"1-[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-hydroxyurea;hydrochloride; NSC670663; CHEMBL1977942; NSC-670663"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670663	.	.	.	.	494.9	C22H23ClN2O9	145	739	.	34	5	9	4	"InChI=1S/C22H22N2O9.ClH/c1-29-15-3-9(4-16(30-2)20(15)25)17-10-5-13-14(33-8-32-13)6-11(10)19(23-22(27)24-28)12-7-31-21(26)18(12)17;/h3-6,12,17-19,25,28H,7-8H2,1-2H3,(H2,23,24,27);1H/t12-,17+,18-,19+;/m0./s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC(=O)NO.Cl	PGPHUHZATVJRGC-IRIMGNFJSA-N
DG55849	"3,4,7-trichloro-N,N-bis(2-chloroethyl)-11-oxobenzo[d][1,3,6,2]benzodioxathiaphosphocin-11-amine"	382835	NSC670664; CHEMBL1997808; NSC-670664; NCI60_024877	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670664	.	.	.	.	507.6	C16H13Cl5NO3PS	64.099	544	6.5	27	0	5	5	"InChI=1S/C16H13Cl5NO3PS/c17-5-7-22(8-6-18)26(23)24-12-3-1-10(19)9-14(12)27-16-13(25-26)4-2-11(20)15(16)21/h1-4,9H,5-8H2"	C1=CC2=C(C=C1Cl)SC3=C(C=CC(=C3Cl)Cl)OP(=O)(O2)N(CCCl)CCCl	XJVRODHTQOHLNA-UHFFFAOYSA-N
DG55850	"N,N-bis(2-chloroethyl)-8-methyl-2-oxo-4-(trichloromethyl)-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine"	382838	NSC670667; CHEMBL1966596; NSC-670667; NCI60_024880	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670667	.	.	.	.	441.5	C13H15Cl5NO3P	38.8	444	4.5	23	0	4	5	"InChI=1S/C13H15Cl5NO3P/c1-9-3-2-4-10-11(9)21-23(20,19(7-5-14)8-6-15)22-12(10)13(16,17)18/h2-4,12H,5-8H2,1H3"	CC1=C2C(=CC=C1)C(OP(=O)(O2)N(CCCl)CCCl)C(Cl)(Cl)Cl	ZPRPMGSHXHEUMS-UHFFFAOYSA-N
DG55851	"N,N-bis(2-chloroethyl)-6-methyl-2-oxo-4-(trichloromethyl)-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine"	382839	NSC670668; CHEMBL2005872; NSC-670668; NCI60_024881	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670668	.	.	.	.	441.5	C13H15Cl5NO3P	38.8	444	4.5	23	0	4	5	"InChI=1S/C13H15Cl5NO3P/c1-9-2-3-11-10(8-9)12(13(16,17)18)22-23(20,21-11)19(6-4-14)7-5-15/h2-3,8,12H,4-7H2,1H3"	CC1=CC2=C(C=C1)OP(=O)(OC2C(Cl)(Cl)Cl)N(CCCl)CCCl	JFCBXAYVXLGIHX-UHFFFAOYSA-N
DG55852	NSC670671	382841	1-(4-chlorophenyl)sulfonyl-3-[2-[[(E)-N-(4-chlorophenyl)sulfonyl-C-methylsulfanyl-carbonimidoyl]amino]ethyl]-2-methyl-isothiourea; NSC670671; CHEMBL2001132; ZINC6003717; NSC-670671; NCI60_024883; 1-(4-chlorophenyl)sulfonyl-3-[2-[[(E)-N-(4-chlorophenyl)sulfonyl-C-methylsulfanyl-carbonimidoyl]amino]ethyl]-2-methyl-isothiourea; Methyl N'-[(4-chlorophenyl)sulfonyl]-N-(2-{[(1E)-{[(4-chlorophenyl)sulfonyl]amino}(methylthio)methylene]amino}ethyl)imidothiocarbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670671	.	.	.	.	555.5	C18H20Cl2N4O4S4	184	784	4.5	32	2	8	11	"InChI=1S/C18H20Cl2N4O4S4/c1-29-17(23-31(25,26)15-7-3-13(19)4-8-15)21-11-12-22-18(30-2)24-32(27,28)16-9-5-14(20)6-10-16/h3-10H,11-12H2,1-2H3,(H,21,23)(H,22,24)"	CSC(=NCCN=C(NS(=O)(=O)C1=CC=C(C=C1)Cl)SC)NS(=O)(=O)C2=CC=C(C=C2)Cl	MZRSQYFYNXASHN-UHFFFAOYSA-N
DG55853	"1,1'-Trimethylenebis(3-p-chlorophenylsulfonyl-2-methylisothiourea"	382843	"NSC670673; 1,1'-Trimethylenebis(3-p-chlorophenylsulfonyl-2-methylisothiourea; CHEMBL1995307; ZINC8665498; NSC-670673; NCI60_024885; 3-(4-chlorophenyl)sulfonyl-1-[3-[[(E)-N-(4-chlorophenyl)sulfonyl-C-methylsulfanyl-carbonimidoyl]amino]propyl]-2-methyl-isothiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670673	.	.	.	.	569.6	C19H22Cl2N4O4S4	184	800	4.8	33	2	8	12	"InChI=1S/C19H22Cl2N4O4S4/c1-30-18(24-32(26,27)16-8-4-14(20)5-9-16)22-12-3-13-23-19(31-2)25-33(28,29)17-10-6-15(21)7-11-17/h4-11H,3,12-13H2,1-2H3,(H,22,24)(H,23,25)"	CSC(=NCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)Cl)SC)NS(=O)(=O)C2=CC=C(C=C2)Cl	NIDJUXFPHBXTOF-UHFFFAOYSA-N
DG55854	Diethyl 2-[[4-[(3-ethoxycarbonylquinoxalin-2-yl)amino]benzoyl]amino]pentanedioate	382848	"NSC670678; MLS002702230; CHEMBL1903039; NSC-670678; diethyl 2-[[4-[(3-ethoxycarbonylquinoxalin-2-yl)amino]benzoyl]amino]pentanedioate; Glutamic acid, N-[4-[[3-(ethoxycarbonyl)-2-quinoxalinyl]amino]benzoyl]-, diethyl ester; NCI60_024890; SMR001565793; 2-[[4-[[3-(Ethoxycarbonyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670678	.	.	.	.	522.5	C27H30N4O7	146	802	4.3	38	2	10	15	"InChI=1S/C27H30N4O7/c1-4-36-22(32)16-15-21(26(34)37-5-2)31-25(33)17-11-13-18(14-12-17)28-24-23(27(35)38-6-3)29-19-9-7-8-10-20(19)30-24/h7-14,21H,4-6,15-16H2,1-3H3,(H,28,30)(H,31,33)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C(=O)OCC	IQJJFBPDRPUVKR-UHFFFAOYSA-N
DG55855	9-((3-(Diisopropylamino)propyl)amino)-1-(hydroxy(oxido)amino)acridine methanesulfonate	382867	"NSC670701; CHEMBL2004587; NSC-670701; 9-((3-(Diisopropylamino)propyl)amino)-1-(hydroxy(oxido)amino)acridine methanesulfonate; N',N'-diisopropyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine; methanesulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670701	.	.	.	.	476.6	C23H32N4O5S	137	592	.	33	2	8	7	"InChI=1S/C22H28N4O2.CH4O3S/c1-15(2)25(16(3)4)14-8-13-23-22-17-9-5-6-10-18(17)24-19-11-7-12-20(21(19)22)26(27)28;1-5(2,3)4/h5-7,9-12,15-16H,8,13-14H2,1-4H3,(H,23,24);1H3,(H,2,3,4)"	CC(C)N(CCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(C)C.CS(=O)(=O)O	DYVCHPFZWVWSDD-UHFFFAOYSA-N
DG55856	9-((3-(Hydroxy(diisopropyl)-lambda~5~-azanyl)propyl)amino)-1-(hydroxy(oxido)amino)acridine methanesulfonate	382869	"NSC670702; CHEMBL1993108; NSC-670702; N,N-diisopropyl-3-[(1-nitroacridin-9-yl)amino]propan-1-amine oxide; methanesulfonic acid; 9-((3-(Hydroxy(diisopropyl)-lambda~5~-azanyl)propyl)amino)-1-(hydroxy(oxido)amino)acridine methanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670702	.	.	.	.	492.6	C23H32N4O6S	152	635	.	34	2	8	7	"InChI=1S/C22H28N4O3.CH4O3S/c1-15(2)26(29,16(3)4)14-8-13-23-22-17-9-5-6-10-18(17)24-19-11-7-12-20(21(19)22)25(27)28;1-5(2,3)4/h5-7,9-12,15-16H,8,13-14H2,1-4H3,(H,23,24);1H3,(H,2,3,4)"	CC(C)[N+](CCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])(C(C)C)[O-].CS(=O)(=O)O	WNYBRSMBKFFCBV-UHFFFAOYSA-N
DG55857	"4-(3-Benzyl-4,9-dioxobenzo[f]benzimidazol-2-yl)butanoic acid"	382880	NSC670757; CHEMBL1986290; NSC-670757; NCI60_024910	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670757	.	.	.	.	374.4	C22H18N2O4	89.3	616	3.4	28	1	5	6	"InChI=1S/C22H18N2O4/c25-18(26)12-6-11-17-23-19-20(24(17)13-14-7-2-1-3-8-14)22(28)16-10-5-4-9-15(16)21(19)27/h1-5,7-10H,6,11-13H2,(H,25,26)"	C1=CC=C(C=C1)CN2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)CCCC(=O)O	YUPPFNMPLOTOGI-UHFFFAOYSA-N
DG55858	"5-Oxo-5-[[[1,4-dioxo-3-(4-methoxyanilino)-1,4-dihydronaphthalen]-2-yl]amino]pentanoic acid methyl ester"	382883	"NSC670760; CHEMBL1969758; NSC-670760; NCI60_024913; 5-Oxo-5-[[[1,4-dioxo-3-(4-methoxyanilino)-1,4-dihydronaphthalen]-2-yl]amino]pentanoic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670760	.	.	.	.	422.4	C23H22N2O6	111	738	1.8	31	2	7	9	"InChI=1S/C23H22N2O6/c1-30-15-12-10-14(11-13-15)24-20-21(25-18(26)8-5-9-19(27)31-2)23(29)17-7-4-3-6-16(17)22(20)28/h3-4,6-7,10-13,24H,5,8-9H2,1-2H3,(H,25,26)"	COC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)CCCC(=O)OC	ZNZFKMZARSPJHS-UHFFFAOYSA-N
DG55859	"4-Oxo-4-[[[1,4-dioxo-3-anilino-1,4-dihydronaphthalen]-2-yl]amino]butanoic acid methyl ester"	382885	"NSC670762; CHEMBL1979931; NSC-670762; NCI60_024915; 4-Oxo-4-[[[1,4-dioxo-3-anilino-1,4-dihydronaphthalen]-2-yl]amino]butanoic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670762	.	.	.	.	378.4	C21H18N2O5	102	678	1.5	28	2	6	7	"InChI=1S/C21H18N2O5/c1-28-17(25)12-11-16(24)23-19-18(22-13-7-3-2-4-8-13)20(26)14-9-5-6-10-15(14)21(19)27/h2-10,22H,11-12H2,1H3,(H,23,24)"	COC(=O)CCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC3=CC=CC=C3	CPMHTAMOMGBBRK-UHFFFAOYSA-N
DG55860	"3-(4,9-Dioxo-3-phenylbenzo[f]benzimidazol-2-yl)propanoic acid"	382886	NSC670763; CHEMBL1976635; NSC-670763; NCI60_024916	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670763	.	.	.	.	346.3	C20H14N2O4	89.3	586	3.1	26	1	5	4	"InChI=1S/C20H14N2O4/c23-16(24)11-10-15-21-17-18(22(15)12-6-2-1-3-7-12)20(26)14-9-5-4-8-13(14)19(17)25/h1-9H,10-11H2,(H,23,24)"	C1=CC=C(C=C1)N2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)CCC(=O)O	IRLFTYCKEWCNLX-UHFFFAOYSA-N
DG55861	"4-Oxo-4-[[[1,4-dioxo-3-(benzylamino)-1,4-dihydronaphthalen]-2-yl]amino]butanoic acid methyl ester"	382887	"NSC670764; CHEMBL1970653; NSC-670764; NCI60_024917; 4-Oxo-4-[[[1,4-dioxo-3-(benzylamino)-1,4-dihydronaphthalen]-2-yl]amino]butanoic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670764	.	.	.	.	392.4	C22H20N2O5	102	693	1.4	29	2	6	8	"InChI=1S/C22H20N2O5/c1-29-18(26)12-11-17(25)24-20-19(23-13-14-7-3-2-4-8-14)21(27)15-9-5-6-10-16(15)22(20)28/h2-10,23H,11-13H2,1H3,(H,24,25)"	COC(=O)CCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC3=CC=CC=C3	BARPSRFFOGFQEV-UHFFFAOYSA-N
DG55862	"3-(3-Benzyl-4,9-dioxobenzo[f]benzimidazol-2-yl)propanoic acid"	382888	NSC670765; CHEMBL2000141; NSC-670765; NCI60_024918	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670765	.	.	.	.	360.4	C21H16N2O4	89.3	601	3	27	1	5	5	"InChI=1S/C21H16N2O4/c24-17(25)11-10-16-22-18-19(23(16)12-13-6-2-1-3-7-13)21(27)15-9-5-4-8-14(15)20(18)26/h1-9H,10-12H2,(H,24,25)"	C1=CC=C(C=C1)CN2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)CCC(=O)O	IMZRLAHDYYJQPB-UHFFFAOYSA-N
DG55863	"4-Oxo-4-[[[1,4-dioxo-3-(4-methoxyanilino)-1,4-dihydronaphthalen]-2-yl]amino]butanoic acid methyl ester"	382889	"NSC670766; CHEMBL1985291; NSC-670766; NCI60_024919; 4-Oxo-4-[[[1,4-dioxo-3-(4-methoxyanilino)-1,4-dihydronaphthalen]-2-yl]amino]butanoic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670766	.	.	.	.	408.4	C22H20N2O6	111	723	1.5	30	2	7	8	"InChI=1S/C22H20N2O6/c1-29-14-9-7-13(8-10-14)23-19-20(24-17(25)11-12-18(26)30-2)22(28)16-6-4-3-5-15(16)21(19)27/h3-10,23H,11-12H2,1-2H3,(H,24,25)"	COC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)CCC(=O)OC	GPBLNKHWYKYPDE-UHFFFAOYSA-N
DG55864	"3,6-Dibromo-3-(bromomethyl)-7-methyloct-1-ene"	382916	NSC670791; CHEMBL1965167; NSC-670791; NCI60_024940	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670791	.	.	.	.	376.95	C10H17Br3	0	156	5.1	13	0	0	6	"InChI=1S/C10H17Br3/c1-4-10(13,7-11)6-5-9(12)8(2)3/h4,8-9H,1,5-7H2,2-3H3"	CC(C)C(CCC(CBr)(C=C)Br)Br	LRJPUDKMTFONPR-UHFFFAOYSA-N
DG55865	3-Bromo-3-(bromomethyl)-6-chloro-7-methyloct-1-ene	382917	NSC670792; CHEMBL2003809; NSC-670792; NCI60_024941	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670792	.	.	.	.	332.5	C10H17Br2Cl	0	159	4.9	13	0	0	6	"InChI=1S/C10H17Br2Cl/c1-4-10(12,7-11)6-5-9(13)8(2)3/h4,8-9H,1,5-7H2,2-3H3"	CC(C)C(CCC(CBr)(C=C)Br)Cl	LOHJESIGLRETPU-UHFFFAOYSA-N
DG55866	2-(Bromomethyl)-5-(2-bromopropan-2-yl)-2-ethenyloxolane	382923	NSC670800; CHEMBL1988558; NSC-670800; NCI60_024949	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670800	.	.	.	.	312.04	C10H16Br2O	9.2	203	3.3	13	0	1	3	"InChI=1S/C10H16Br2O/c1-4-10(7-11)6-5-8(13-10)9(2,3)12/h4,8H,1,5-7H2,2-3H3"	CC(C)(C1CCC(O1)(CBr)C=C)Br	ZJARJNJKVYTJLZ-UHFFFAOYSA-N
DG55867	"4,4-Dibromo-1-(3-bromo-4-methylpentyl)cyclopentene"	382925	NSC670802; CHEMBL1964920; NSC-670802; NCI60_024951	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670802	.	.	.	.	388.96	C11H17Br3	0	219	5.2	14	0	0	4	"InChI=1S/C11H17Br3/c1-8(2)10(12)4-3-9-5-6-11(13,14)7-9/h5,8,10H,3-4,6-7H2,1-2H3"	CC(C)C(CCC1=CCC(C1)(Br)Br)Br	GYJJSILBKLZXCB-UHFFFAOYSA-N
DG55868	"1-Octene,3,7-trichloro-7-methyl-"	382926	"NSC670803; CHEMBL1995919; 1-Octene,3,7-trichloro-7-methyl-; NSC-670803; NCI60_024952"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670803	.	.	.	.	322.5	C10H16BrCl3	0	204	4.8	14	0	0	6	"InChI=1S/C10H16BrCl3/c1-8(12)10(14,7-11)6-4-5-9(2,3)13/h1,4-7H2,2-3H3"	CC(C)(CCCC(CBr)(C(=C)Cl)Cl)Cl	UFPKSFYXKOGZPA-UHFFFAOYSA-N
DG55869	"3-(Bromomethyl)-2,3,6-trichloro-7-methyloct-1-ene"	382927	NSC670804; CHEMBL2002789; NSC-670804; NCI60_024953	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670804	.	.	.	.	322.5	C10H16BrCl3	0	194	5.2	14	0	0	6	"InChI=1S/C10H16BrCl3/c1-7(2)9(13)4-5-10(14,6-11)8(3)12/h7,9H,3-6H2,1-2H3"	CC(C)C(CCC(CBr)(C(=C)Cl)Cl)Cl	OLTBFQIGWLAESB-UHFFFAOYSA-N
DG55870	"3-(Bromomethyl)-2,3,6,7-tetrachloro-7-methyloct-1-ene"	382928	NSC670805; CHEMBL1969520; NSC-670805; NCI60_024954	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670805	.	.	.	.	356.9	C10H15BrCl4	0	230	5.1	15	0	0	6	"InChI=1S/C10H15BrCl4/c1-7(12)10(15,6-11)5-4-8(13)9(2,3)14/h8H,1,4-6H2,2-3H3"	CC(C)(C(CCC(CBr)(C(=C)Cl)Cl)Cl)Cl	MCVCWSYWDGWKFL-UHFFFAOYSA-N
DG55871	"1-Bromo-3,6-dichloro-3,7-dimethyloctan-2-one"	382936	NSC670813; CHEMBL1986078; NSC-670813; NCI60_024962	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670813	.	.	.	.	304.05	C10H17BrCl2O	17.1	197	4.3	14	0	1	6	"InChI=1S/C10H17BrCl2O/c1-7(2)8(12)4-5-10(3,13)9(14)6-11/h7-8H,4-6H2,1-3H3"	CC(C)C(CCC(C)(C(=O)CBr)Cl)Cl	CATNWVXWJBNKHQ-UHFFFAOYSA-N
DG55872	"1-Bromo-3,6,7-trichloro-3,7-dimethyloctan-2-one"	382939	NSC670816; CHEMBL2003158; NSC-670816; NCI60_024965	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670816	.	.	.	.	338.5	C10H16BrCl3O	17.1	233	4.2	15	0	1	6	"InChI=1S/C10H16BrCl3O/c1-9(2,13)7(12)4-5-10(3,14)8(15)6-11/h7H,4-6H2,1-3H3"	CC(C)(C(CCC(C)(C(=O)CBr)Cl)Cl)Cl	DVCXUKCFXDSRRN-UHFFFAOYSA-N
DG55873	"1H-Pyrazole, 4-chloro-1-(5-chloro-2-nitrophenyl)-3,5-dimethyl-"	382940	"NSC670823; 1H-Pyrazole, 4-chloro-1-(5-chloro-2-nitrophenyl)-3,5-dimethyl-; CHEMBL1975591; ZINC1644132; NSC-670823; NCI60_024966; 4-chloro-1-(5-chloro-2-nitro-phenyl)-3,5-dimethyl-pyrazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670823	.	.	.	.	286.11	C11H9Cl2N3O2	63.6	326	3.8	18	0	3	1	"InChI=1S/C11H9Cl2N3O2/c1-6-11(13)7(2)15(14-6)10-5-8(12)3-4-9(10)16(17)18/h3-5H,1-2H3"	CC1=C(C(=NN1C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C)Cl	PHHBEDYSERXPLT-UHFFFAOYSA-N
DG55874	"5,10,15,20-Tetra(5-chloropentyl)-21H,23H-porphyrin"	382956	"NSC670861; CHEMBL1967721; NSC-670861; NCI60_024976; 5,10,15,20-Tetra(5-chloropentyl)-21H,23H-porphyrin; (5Z,10Z,14Z,19Z)-5,10,15,20-tetrakis(5-chloropentyl)-21,23-dihydroporphyrin; 2,7,12,17-Tetrakis(5-chloropentyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1~3,6~.1~8,11~.1~13,16~]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670861	.	.	.	.	728.7	C40H50Cl4N4	57.4	811	12.3	48	2	2	20	"InChI=1S/C40H50Cl4N4/c41-25-9-1-5-13-29-33-17-19-35(45-33)30(14-6-2-10-26-42)37-21-23-39(47-37)32(16-8-4-12-28-44)40-24-22-38(48-40)31(15-7-3-11-27-43)36-20-18-34(29)46-36/h17-24,45-46H,1-16,25-28H2"	C1=CC2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1N2)CCCCCCl)CCCCCCl)CCCCCCl)CCCCCCl	OIRLEOFDWVTZLB-UHFFFAOYSA-N
DG55875	"Ethyl 2-imino-4-(1-pyrrolidinyl)-2,3-dihydro-1,3-thiazole-5-carboxylate"	382960	"NSC670864; Ethyl 2-imino-4-(1-pyrrolidinyl)-2,3-dihydro-1,3-thiazole-5-carboxylate; CHEMBL1994019; ZINC17255180; NSC-670864; 148229-26-9; DA-34354; NCI60_024979; ethyl 2-imino-4-pyrrolidin-1-yl-3H-thiazole-5-carboxylate; ethyl 2-amino-4-(1-pyrrolidinyl)-1,3-thiazole-5-carboxylate; 2-amino-4-pyrrolidin-1-yl-thiazole-5-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670864	.	.	.	.	241.31	C10H15N3O2S	96.7	258	2.1	16	1	6	4	"InChI=1S/C10H15N3O2S/c1-2-15-9(14)7-8(12-10(11)16-7)13-5-3-4-6-13/h2-6H2,1H3,(H2,11,12)"	CCOC(=O)C1=C(N=C(S1)N)N2CCCC2	ZVFCCMMIGSISBT-UHFFFAOYSA-N
DG55876	5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile	382961	NSC670865; 5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile; CHEMBL1971401; ZINC1644144; NSC-670865; NCI60_024980; 5-(benzylamino)-3-pyrrolidin-1-yl-isothiazole-4-carbonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670865	.	.	.	.	284.4	C15H16N4S	80.2	354	4	20	1	5	4	"InChI=1S/C15H16N4S/c16-10-13-14(19-8-4-5-9-19)18-20-15(13)17-11-12-6-2-1-3-7-12/h1-3,6-7,17H,4-5,8-9,11H2"	C1CCN(C1)C2=NSC(=C2C#N)NCC3=CC=CC=C3	VHEWDTRKTBBPOH-UHFFFAOYSA-N
DG55877	NSC670929	382983	"(1S,36R,37S,39R,43R,55S,56R)-7,8,18,24,25,26,30,31,37,59-decahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione; NSC670929; CHEMBL1998749; NSC-670929; NCI60_024992"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670929	.	.	.	.	1379.5	C65H102O31	486	2820	-2.5	96	16	31	5	"InChI=1S/C65H102O31/c1-26-48-49(92-53-45(80)42(77)39(74)31(21-66)88-53)47(82)55(87-26)93-50-38(73)30(70)23-86-56(50)96-58(83)65-15-13-59(2,3)17-28(65)27-9-10-35-61(5)18-29(69)52(62(6,25-68)34(61)11-12-64(35,8)63(27,7)14-16-65)95-57-51(44(79)40(75)32(22-67)89-57)94-54-46(81)43(78)41(76)33(90-54)24-85-36(71)19-60(4,84)20-37(72)91-48/h9,26,28-35,38-57,66-70,73-82,84H,10-25H2,1-8H3/t26 ,28 ,29-,30 ,31 ,32 ,33 ,34 ,35 ,38 ,39 ,40 ,41 ,42 ,43 ,44 ,45 ,46 ,47 ,48 ,49 ,50 ,51 ,52-,53 ,54 ,55 ,56 ,57 ,60 ,61-,62-,63+,64+,65-/m0/s1"	CC1C2C(C(C(O1)OC3C(C(COC3OC(=O)[C@@]45CC[C@@]6(C(=CCC7[C@]6(CCC8[C@@]7(C[C@@H]([C@@H]([C@@]8(C)CO)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)COC(=O)CC(CC(=O)O2)(C)O)O)O)O)O)C)C)C4CC(CC5)(C)C)C)O)O)O)OC1C(C(C(C(O1)CO)O)O)O	KWELEGZHIBQWTP-ZSDNWLRHSA-N
DG55878	NSC670970	383002	"[6-[[(3R,5R,7R,8R,9R,10S,13S,17S)-3-acetyloxy-4,4,8,10,13-pentamethyl-17-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate; NSC670970; CHEMBL1992979; NSC-670970; NCI60_025007"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670970	.	.	.	.	738.9	C40H66O12	192	1360	3.6	52	6	12	12	"InChI=1S/C40H66O12/c1-20(17-24(43)34(47)37(6,7)48)23-11-12-26-38(23,8)15-13-27-39(9)16-14-29(50-22(3)42)36(4,5)28(39)18-30(40(26,27)10)52-35-33(46)32(45)31(44)25(51-35)19-49-21(2)41/h12,20,23-25,27-35,43-48H,11,13-19H2,1-10H3/t20-,23-,24+,25 ,27+,28-,29+,30+,31 ,32 ,33 ,34-,35 ,38-,39+,40-/m0/s1"	C[C@@H](C[C@H]([C@@H](C(C)(C)O)O)O)[C@@H]1CC=C2[C@]1(CC[C@H]3[C@]2([C@@H](C[C@@H]4[C@@]3(CC[C@H](C4(C)C)OC(=O)C)C)OC5C(C(C(C(O5)COC(=O)C)O)O)O)C)C	JUMRSGDJJITQFW-FHBHDGDFSA-N
DG55879	"Ethyl 3-(6-bromo-8-methoxyimidazo[1,2-a]pyrazin-2-yl)propanoate"	383014	"NSC670998; Ethyl 3-(6-bromo-8-methoxyimidazo[1,2-a]pyrazin-2-yl)propanoate; CHEMBL1975276; ZINC1644181; NSC-670998; NCI60_025017; ethyl 3-(6-bromo-8-methoxy-imidazo[1,2-a]pyrazin-2-yl)propanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670998	.	.	.	.	328.16	C12H14BrN3O3	65.7	319	2.5	19	0	5	6	"InChI=1S/C12H14BrN3O3/c1-3-19-10(17)5-4-8-6-16-7-9(13)15-12(18-2)11(16)14-8/h6-7H,3-5H2,1-2H3"	CCOC(=O)CCC1=CN2C=C(N=C(C2=N1)OC)Br	IQTQXVQURGVYSX-UHFFFAOYSA-N
DG55880	[3-[4-[3-(Fluoromethylsulfonyloxy)propanoyl]piperazin-1-yl]-3-oxopropyl] fluoromethanesulfonate	383018	NSC671002; CHEMBL1985754; ZINC73316669; NSC-671002; NCI60_025021	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671002	.	.	.	.	422.4	C12H20F2N2O8S2	144	619	-1.4	26	0	10	10	"InChI=1S/C12H20F2N2O8S2/c13-9-25(19,20)23-7-1-11(17)15-3-5-16(6-4-15)12(18)2-8-24-26(21,22)10-14/h1-10H2"	C1CN(CCN1C(=O)CCOS(=O)(=O)CF)C(=O)CCOS(=O)(=O)CF	XITXSPZWYQXBFG-UHFFFAOYSA-N
DG55881	"2H-Thieno[3',5]cyclopent[1,2-d]oxazole-2,7(7aH)-dione,4,6-dibromo-3,3a-dihydro-"	383027	"NSC671009; CHEMBL1990245; ZINC6003952; NSC-671009; NCI60_025023; 2H-Thieno[3',5]cyclopent[1,2-d]oxazole- 2,7(7aH)-dione,4,6-dibromo-3,3a-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671009	.	.	.	.	352.99	C8H3Br2NO3S	83.6	353	2.6	15	1	4	0	"InChI=1S/C8H3Br2NO3S/c9-6-1-2(7(10)15-6)4(12)5-3(1)11-8(13)14-5/h3,5H,(H,11,13)/t3-,5-/m1/s1"	[C@H]12[C@H](C(=O)C3=C(SC(=C31)Br)Br)OC(=O)N2	MMTKAAVXVCBXFI-NQXXGFSBSA-N
DG55882	"N-(10-oxothiochromeno[3,2-b]pyridin-2-yl)-3-piperidin-1-ylpropanamide"	383031	NSC671012; CHEMBL355131; NSC-671012; NCI60_025026	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671012	.	.	.	.	367.5	C20H21N3O2S	87.6	523	3.1	26	1	5	4	"InChI=1S/C20H21N3O2S/c24-18(10-13-23-11-4-1-5-12-23)21-17-9-8-16-19(22-17)20(25)14-6-2-3-7-15(14)26-16/h2-3,6-9H,1,4-5,10-13H2,(H,21,22,24)"	C1CCN(CC1)CCC(=O)NC2=NC3=C(C=C2)SC4=CC=CC=C4C3=O	WNHDOFVMJQNDOF-UHFFFAOYSA-N
DG55883	"3-(diethylamino)-N-(10-oxothiochromeno[3,2-b]pyridin-2-yl)propanamide"	383033	NSC671014; CHEMBL354332; NSC-671014; NCI60_025028	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671014	.	.	.	.	355.5	C19H21N3O2S	87.6	483	3	25	1	5	6	"InChI=1S/C19H21N3O2S/c1-3-22(4-2)12-11-17(23)20-16-10-9-15-18(21-16)19(24)13-7-5-6-8-14(13)25-15/h5-10H,3-4,11-12H2,1-2H3,(H,20,21,23)"	CCN(CC)CCC(=O)NC1=NC2=C(C=C1)SC3=CC=CC=C3C2=O	NQOBIPVNIBYOLV-UHFFFAOYSA-N
DG55884	"N-(10-oxothiochromeno[3,2-b]pyridin-2-yl)-2-pyrrolidin-1-ylacetamide"	383034	NSC671015; CHEMBL355342; NSC-671015; NCI60_025029	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671015	.	.	.	.	339.4	C18H17N3O2S	87.6	495	2.8	24	1	5	3	"InChI=1S/C18H17N3O2S/c22-16(11-21-9-3-4-10-21)19-15-8-7-14-17(20-15)18(23)12-5-1-2-6-13(12)24-14/h1-2,5-8H,3-4,9-11H2,(H,19,20,22)"	C1CCN(C1)CC(=O)NC2=NC3=C(C=C2)SC4=CC=CC=C4C3=O	IZVRZVIYRDCFQT-UHFFFAOYSA-N
DG55885	N8-Actinomycin D	383040	N8-Actinomycin D; CHEMBL1976485; NSC671030; NSC-671030; NCI60_025036	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671030	.	.	.	.	1256.4	C61H85N13O16	368	3030	3	90	5	19	8	"InChI=1S/C61H85N13O16/c1-26(2)40-58(84)73-21-17-19-34(73)56(82)69(13)24-36(75)71(15)47(28(5)6)60(86)88-32(11)42(53(79)65-40)67-52(78)38-39(62)49(77)31(10)51-44(38)64-45-46(63-23-30(9)50(45)90-51)55(81)68-43-33(12)89-61(87)48(29(7)8)72(16)37(76)25-70(14)57(83)35-20-18-22-74(35)59(85)41(27(3)4)66-54(43)80/h23,26-29,32-35,40-43,47-48H,17-22,24-25,62H2,1-16H3,(H,65,79)(H,66,80)(H,67,78)(H,68,81)"	CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C(C(=O)C(=C4C3=NC5=C(O4)C(=CN=C5C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)C)N	DVAQENANCBGZCP-UHFFFAOYSA-N
DG55886	NSC671031	383041	"2-amino-8-fluoro-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide; NSC671031; CHEMBL1969358; NSC-671031; NCI60_025037"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671031	.	.	.	.	1273.4	C62H85FN12O16	356	3070	3.9	91	5	19	8	"InChI=1S/C62H85FN12O16/c1-26(2)42-59(85)74-21-17-19-35(74)57(83)70(13)24-37(76)72(15)48(28(5)6)61(87)89-32(11)44(55(81)66-42)68-53(79)39-34(63)23-30(9)51-46(39)65-47-40(41(64)50(78)31(10)52(47)91-51)54(80)69-45-33(12)90-62(88)49(29(7)8)73(16)38(77)25-71(14)58(84)36-20-18-22-75(36)60(86)43(27(3)4)67-56(45)82/h23,26-29,32-33,35-36,42-45,48-49H,17-22,24-25,64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)"	CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C(C=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)F	MBHBKYUJERKJAW-UHFFFAOYSA-N
DG55887	2-n-Propoxyestradiol	383043	CHEMBL1627438; 2-n-propoxyestradiol; NSC671041; 2-(Propyloxy)-17beta-estradiol; BDBM50369003; NSC-671041; NCI60_025042	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671041	.	.	.	.	330.5	C21H30O3	49.7	452	3.6	24	2	3	3	"InChI=1S/C21H30O3/c1-3-10-24-19-12-16-13(11-18(19)22)4-5-15-14(16)8-9-21(2)17(15)6-7-20(21)23/h11-12,14-15,17,20,22-23H,3-10H2,1-2H3/t14-,15+,17-,20-,21-/m0/s1"	CCCOC1=C(C=C2CC[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4O)C)O	XQSOTCUQQRLNNS-PVHGPHFFSA-N
DG55888	2-i-Propoxyestradiol	383044	CHEMBL1627441; 2-i-propoxyestradiol; NSC671042; 2-(Isopropyloxy)-17beta-estradiol; BDBM50369008; NSC-671042; NCI60_025043	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671042	.	.	.	.	330.5	C21H30O3	49.7	464	4.8	24	2	3	2	"InChI=1S/C21H30O3/c1-12(2)24-19-11-16-13(10-18(19)22)4-5-15-14(16)8-9-21(3)17(15)6-7-20(21)23/h10-12,14-15,17,20,22-23H,4-9H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1"	CC(C)OC1=C(C=C2CC[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4O)C)O	BWTGOMPFSKXALJ-PVHGPHFFSA-N
DG55889	2-Ethoxyestradiol	383045	"CHEMBL1627442; 2-ethoxyestradiol; MLS002702240; NSC671043; 2-Ethoxy-17beta-estradiol; SCHEMBL661682; ZINC5841368; BDBM50369013; NSC-671043; NCI60_025044; 2-Ethoxyestra-1,5-trien-3,17.beta.-diol; 2-ethoxy estra-1,3,5(10)-trien-3,17beta-diol; 2-Ethoxyestra-1,3,5(10)-triene-3.17beta-diol; Estra-1,5-trien-3,17-diol, 2-ethoxy-, (17.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671043	.	.	.	.	316.4	C20H28O3	49.7	439	4.3	23	2	3	2	"InChI=1S/C20H28O3/c1-3-23-18-11-15-12(10-17(18)21)4-5-14-13(15)8-9-20(2)16(14)6-7-19(20)22/h10-11,13-14,16,19,21-22H,3-9H2,1-2H3/t13-,14+,16-,19-,20-/m0/s1"	CCOC1=C(C=C2CC[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4O)C)O	GZGPTTWIZTVHKE-BKRJIHRRSA-N
DG55890	"2',6'-dibromospiro[7,8-dihydro-6H-pyrido[2,3-g]quinoline-9,4'-cyclohexa-2,5-diene]-1',5,10-trione"	383051	NSC671095; CHEMBL1994482; NSC-671095; NCI60_025047	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671095	.	.	.	.	450.1	C17H10Br2N2O3	76.1	744	3.5	24	1	5	0	"InChI=1S/C17H10Br2N2O3/c18-9-6-17(7-10(19)15(9)23)3-5-21-13-11(17)16(24)12-8(14(13)22)2-1-4-20-12/h1-2,4,6-7,21H,3,5H2"	C1CNC2=C(C13C=C(C(=O)C(=C3)Br)Br)C(=O)C4=C(C2=O)C=CC=N4	ASSIIERDRZXACN-UHFFFAOYSA-N
DG55891	"2',6'-Dibromospiro[1,5,6,7-tetrahydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1',4,9-trione"	383052	"4946-95-6; NSC671096; CHEMBL2001830; DTXSID20420206; NSC-671096; 2',6'-dibromospiro[1,5,6,7-tetrahydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1',4,9-trione; NCI60_025048"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671096	.	.	.	.	439.06	C15H9Br2N3O3	94.6	866	2	23	2	5	0	"InChI=1S/C15H9Br2N3O3/c16-6-3-15(4-7(17)12(6)21)1-2-18-9-8(15)13(22)10-11(14(9)23)20-5-19-10/h3-5,22-23H,1-2H2"	C1CN=C2C(=C(C3=NC=NC3=C2O)O)C14C=C(C(=O)C(=C4)Br)Br	IATLONPIMRSRSI-UHFFFAOYSA-N
DG55892	"((6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)thio)acetonitrile"	383054	"NSC671098; ((6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)thio)acetonitrile; CHEMBL1965430; ZINC1644218; NSC-671098; NCI60_025050; 2-(6-oxo-1,3,5-triphenyl-2-thioxo-pyrimidin-4-yl)sulfanylacetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671098	.	.	.	.	427.5	C24H17N3OS2	105	722	5.3	30	0	4	5	"InChI=1S/C24H17N3OS2/c25-16-17-30-23-21(18-10-4-1-5-11-18)22(28)26(19-12-6-2-7-13-19)24(29)27(23)20-14-8-3-9-15-20/h1-15H,17H2"	C1=CC=C(C=C1)C2=C(N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)SCC#N	MZLQMOFYMVOCJX-UHFFFAOYSA-N
DG55893	"Ethyl 6-((2-ethoxy-2-oxoethyl)thio)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate"	383059	"NSC671103; Ethyl 6-((2-ethoxy-2-oxoethyl)thio)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate; CHEMBL1997135; ZINC1034649; CCG-52920; MCULE-7428208569; NSC-671103; NCI60_025055; SR-01000642119-1; 1,2,3,4-Tetrahydro-1,3-diphenyl-4-oxo-2-thioxo-6-[(2-ethoxy-2-oxoethyl)thio]pyrimidine-5-carboxylic acid ethyl ester; ethyl 4-(2-ethoxy-2-oxo-ethyl)sulfanyl-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671103	.	.	.	.	470.6	C23H22N2O5S2	134	758	4.5	32	0	7	10	"InChI=1S/C23H22N2O5S2/c1-3-29-18(26)15-32-21-19(22(28)30-4-2)20(27)24(16-11-7-5-8-12-16)23(31)25(21)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3"	CCOC(=O)CSC1=C(C(=O)N(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC	PAQVPRADGFPWLO-UHFFFAOYSA-N
DG55894	"S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 4-methoxybenzenecarbothioate"	383063	"NSC671107; CHEMBL1976959; ZINC1644226; NSC-671107; NCI60_025059; S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 4-methoxybenzenecarbothioate; 2,3-Dihydro-1,3,5-triphenyl-6-[(4-methoxybenzoyl)thio]-2-thioxopyrimidin-4(1H)-one; S-(6-oxo-1,3,5-triphenyl-2-thioxo-pyrimidin-4-yl) 4-methoxybenzenecarbothioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671107	.	.	.	.	522.6	C30H22N2O3S2	107	864	6.9	37	0	5	7	"InChI=1S/C30H22N2O3S2/c1-35-25-19-17-22(18-20-25)29(34)37-28-26(21-11-5-2-6-12-21)27(33)31(23-13-7-3-8-14-23)30(36)32(28)24-15-9-4-10-16-24/h2-20H,1H3"	COC1=CC=C(C=C1)C(=O)SC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5	HLSLOFLLOQGHHK-UHFFFAOYSA-N
DG55895	"N,N'-Diphenyl-N-(2-(1-pyrrolidinyl)ethyl)-1-pyrrolidinecarboximidamide"	383074	"NSC671118; CHEMBL1972814; ZINC1644238; ZINC16958693; N,N'-Diphenyl-N-(2-(1-pyrrolidinyl)ethyl)-1-pyrrolidinecarboximidamide; NSC-671118; NCI60_025070; N,N'-diphenyl-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671118	.	.	.	.	362.5	C23H30N4	22.1	453	4.1	27	0	2	7	"InChI=1S/C23H30N4/c1-3-11-21(12-4-1)24-23(26-17-9-10-18-26)27(22-13-5-2-6-14-22)20-19-25-15-7-8-16-25/h1-6,11-14H,7-10,15-20H2"	C1CCN(C1)CCN(C2=CC=CC=C2)C(=NC3=CC=CC=C3)N4CCCC4	CXTDIZWTRIBIJF-UHFFFAOYSA-N
DG55896	"N-(2-(Dimethylamino)ethyl)-N,N'-diphenyl-1-pyrrolidinecarboximidamide"	383075	"NSC671119; CHEMBL1981668; ZINC5549524; N-(2-(Dimethylamino)ethyl)-N,N'-diphenyl-1-pyrrolidinecarboximidamide; ZINC17255426; NSC-671119; NCI60_025071; N-(2-dimethylaminoethyl)-N,N'-diphenyl-pyrrolidine-1-carboxamidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671119	.	.	.	.	336.5	C21H28N4	22.1	402	3.7	25	0	2	7	"InChI=1S/C21H28N4/c1-23(2)17-18-25(20-13-7-4-8-14-20)21(24-15-9-10-16-24)22-19-11-5-3-6-12-19/h3-8,11-14H,9-10,15-18H2,1-2H3"	CN(C)CCN(C1=CC=CC=C1)C(=NC2=CC=CC=C2)N3CCCC3	QHFSQIRRJRNTOT-UHFFFAOYSA-N
DG55897	"N,N'-Diphenyl-N-(2-(1-piperidinyl)ethyl)-1-piperidinecarboximidamide"	383077	"NSC671121; CHEMBL1987552; N,N'-Diphenyl-N-(2-(1-piperidinyl)ethyl)-1-piperidinecarboximidamide; NSC-671121; NCI60_025073; N,N'-diphenyl-N-[2-(1-piperidyl)ethyl]piperidine-1-carboxamidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671121	.	.	.	.	390.6	C25H34N4	22.1	481	4.9	29	0	2	7	"InChI=1S/C25H34N4/c1-5-13-23(14-6-1)26-25(28-19-11-4-12-20-28)29(24-15-7-2-8-16-24)22-21-27-17-9-3-10-18-27/h1-2,5-8,13-16H,3-4,9-12,17-22H2"	C1CCN(CC1)CCN(C2=CC=CC=C2)C(=NC3=CC=CC=C3)N4CCCCC4	QROILWHRZVWZOH-UHFFFAOYSA-N
DG55898	"N-(2-(Diethylamino)ethyl)-N,N'-diphenyl-1-piperidinecarboximidamide"	383078	"NSC671122; CHEMBL1987818; ZINC5499373; N-(2-(Diethylamino)ethyl)-N,N'-diphenyl-1-piperidinecarboximidamide; ZINC17255438; NSC-671122; NCI60_025074; N-(2-diethylaminoethyl)-N,N'-diphenyl-piperidine-1-carboxamidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671122	.	.	.	.	378.6	C24H34N4	22.1	442	4.7	28	0	2	9	"InChI=1S/C24H34N4/c1-3-26(4-2)20-21-28(23-16-10-6-11-17-23)24(27-18-12-7-13-19-27)25-22-14-8-5-9-15-22/h5-6,8-11,14-17H,3-4,7,12-13,18-21H2,1-2H3"	CCN(CC)CCN(C1=CC=CC=C1)C(=NC2=CC=CC=C2)N3CCCCC3	LKPUWIZUBWPXIH-UHFFFAOYSA-N
DG55899	"6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-chlorobenzoate"	383083	"NSC671127; 6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-chlorobenzoate; CHEMBL1999752; ZINC1644245; NSC-671127; NCI60_025079; (6-cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 4-chlorobenzoate; 4-Chlorobenzoic acid (1,2,3,4-tetrahydro-1,3-diphenyl-4-oxo-2-thioxo-6-cyanothieno[2,3-d]pyrimidin)-5-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671127	.	.	.	.	516	C26H14ClN3O3S2	134	874	6.6	35	0	6	5	InChI=1S/C26H14ClN3O3S2/c27-17-13-11-16(12-14-17)25(32)33-22-20(15-28)35-24-21(22)23(31)29(18-7-3-1-4-8-18)26(34)30(24)19-9-5-2-6-10-19/h1-14H	C1=CC=C(C=C1)N2C3=C(C(=C(S3)C#N)OC(=O)C4=CC=C(C=C4)Cl)C(=O)N(C2=S)C5=CC=CC=C5	MJHQXPJDEXWRQG-UHFFFAOYSA-N
DG55900	"6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2,4-dichlorobenzoate"	383084	"NSC671128; CHEMBL1981701; ZINC1644246; NSC-671128; 6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2,4-dichlorobenzoate; NCI60_025080; (6-cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 2,4-dichlorobenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671128	.	.	.	.	550.4	C26H13Cl2N3O3S2	134	917	7.3	36	0	6	5	InChI=1S/C26H13Cl2N3O3S2/c27-15-11-12-18(19(28)13-15)25(33)34-22-20(14-29)36-24-21(22)23(32)30(16-7-3-1-4-8-16)26(35)31(24)17-9-5-2-6-10-17/h1-13H	C1=CC=C(C=C1)N2C3=C(C(=C(S3)C#N)OC(=O)C4=C(C=C(C=C4)Cl)Cl)C(=O)N(C2=S)C5=CC=CC=C5	ZGCXZOHQCDDGQP-UHFFFAOYSA-N
DG55901	"6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-methoxybenzoate"	383085	"NSC671129; 6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-methoxybenzoate; CHEMBL1978469; ZINC1644247; NSC-671129; NCI60_025081; (6-cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 4-methoxybenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671129	.	.	.	.	511.6	C27H17N3O4S2	143	887	6	36	0	7	6	"InChI=1S/C27H17N3O4S2/c1-33-20-14-12-17(13-15-20)26(32)34-23-21(16-28)36-25-22(23)24(31)29(18-8-4-2-5-9-18)27(35)30(25)19-10-6-3-7-11-19/h2-15H,1H3"	COC1=CC=C(C=C1)C(=O)OC2=C(SC3=C2C(=O)N(C(=S)N3C4=CC=CC=C4)C5=CC=CC=C5)C#N	QCRYBAXUULQSSN-UHFFFAOYSA-N
DG55902	"6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 3,4,5-trimethoxybenzoate"	383086	"NSC671130; CHEMBL1992126; ZINC1644248; NSC-671130; 6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 3,4,5-trimethoxybenzoate; NCI60_025082; (6-cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 3,4,5-trimethoxybenzoate; 3,4,5-Trimethoxybenzoic acid (1,2,3,4-tetrahydro-1,3-diphenyl-4-oxo-2-thioxo-6-cyanothieno[2,3-d]pyrimidin)-5-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671130	.	.	.	.	571.6	C29H21N3O6S2	162	980	5.9	40	0	9	8	"InChI=1S/C29H21N3O6S2/c1-35-20-14-17(15-21(36-2)24(20)37-3)28(34)38-25-22(16-30)40-27-23(25)26(33)31(18-10-6-4-7-11-18)29(39)32(27)19-12-8-5-9-13-19/h4-15H,1-3H3"	COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(SC3=C2C(=O)N(C(=S)N3C4=CC=CC=C4)C5=CC=CC=C5)C#N	JGRPSOMIIXVADB-UHFFFAOYSA-N
DG55903	"6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-(trifluoromethyl)benzoate"	383089	"NSC671133; CHEMBL1983254; ZINC1644251; NSC-671133; 6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-(trifluoromethyl)benzoate; NCI60_025085; (6-cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 4-(trifluoromethyl)benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671133	.	.	.	.	549.5	C27H14F3N3O3S2	134	966	6.9	38	0	9	5	"InChI=1S/C27H14F3N3O3S2/c28-27(29,30)17-13-11-16(12-14-17)25(35)36-22-20(15-31)38-24-21(22)23(34)32(18-7-3-1-4-8-18)26(37)33(24)19-9-5-2-6-10-19/h1-14H"	C1=CC=C(C=C1)N2C3=C(C(=C(S3)C#N)OC(=O)C4=CC=C(C=C4)C(F)(F)F)C(=O)N(C2=S)C5=CC=CC=C5	QUBWWRLPDIUNCX-UHFFFAOYSA-N
DG55904	"6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl benzoate"	383090	"NSC671134; MLS002702241; 6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl benzoate; CHEMBL1900257; ZINC1644252; NSC-671134; NCI60_025086; SMR001565804; (6-acetyl-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) benzoate; Benzoic acid (1,3-diphenyl-2-thioxo-4-oxo-6-acetyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin)-5-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671134	.	.	.	.	498.6	C27H18N2O4S2	127	833	6	35	0	6	6	"InChI=1S/C27H18N2O4S2/c1-17(30)23-22(33-26(32)18-11-5-2-6-12-18)21-24(31)28(19-13-7-3-8-14-19)27(34)29(25(21)35-23)20-15-9-4-10-16-20/h2-16H,1H3"	CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5	USYGJPYRCPTZKE-UHFFFAOYSA-N
DG55905	"6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-chlorobenzoate"	383091	"NSC671135; MLS002702242; 6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-chlorobenzoate; CHEMBL1888106; ZINC1644253; MCULE-2747950837; NSC-671135; NCI60_025087; SMR001565805; AO-476/40672135; (6-acetyl-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 4-chlorobenzoate; 4-Chlorobenzoic acid (1,3-diphenyl-2-thioxo-4-oxo-6-acetyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin)-5-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671135	.	.	.	.	533	C27H17ClN2O4S2	127	868	6.6	36	0	6	6	"InChI=1S/C27H17ClN2O4S2/c1-16(31)23-22(34-26(33)17-12-14-18(28)15-13-17)21-24(32)29(19-8-4-2-5-9-19)27(35)30(25(21)36-23)20-10-6-3-7-11-20/h2-15H,1H3"	CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)Cl	AJOOUUVRHNKUBF-UHFFFAOYSA-N
DG55906	"6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2,4-dichlorobenzoate"	383092	"NSC671136; MLS000756719; NSC-671136; 6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2,4-dichlorobenzoate; NCIChal_000020; NCIMech_000684; Neuro_000409; CHEMBL1488760; SCHEMBL15413616; HMS2880G21; ZINC1644254; CCG-36139; CCG-36476; NCI60_025088; SMR000529109; (6-acetyl-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 2,4-dichlorobenzoate; Benzoic acid, 2,4-dichloro-, 6-acetyl-1,2,3,4-tetrahydro- 4-oxo-1, 3-diphenyl-2-thioxothieno[2,3-d]pyrimidin-5-yl ester; Benzoic acid,4-dichloro-, 6-acetyl-1,2,3,4-tetrahydro- 4-oxo-1,3-diphenyl-2-thioxothieno[2,3-d]pyrimidin-5-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671136	.	.	.	.	567.5	C27H16Cl2N2O4S2	127	911	7.2	37	0	6	6	"InChI=1S/C27H16Cl2N2O4S2/c1-15(32)23-22(35-26(34)19-13-12-16(28)14-20(19)29)21-24(33)30(17-8-4-2-5-9-17)27(36)31(25(21)37-23)18-10-6-3-7-11-18/h2-14H,1H3"	CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=C(C=C(C=C5)Cl)Cl	MSLAPUVHAQOMIR-UHFFFAOYSA-N
DG55907	"6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 3,4,5-trimethoxybenzoate"	383093	"NSC671137; CHEMBL1999197; ZINC1644255; NSC-671137; 6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 3,4,5-trimethoxybenzoate; NCI60_025089; (6-acetyl-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 3,4,5-trimethoxybenzoate; 3,4,5-Trimethoxybenzoic acid (1,3-diphenyl-2-thioxo-4-oxo-6-acetyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin)-5-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671137	.	.	.	.	588.7	C30H24N2O7S2	155	972	5.9	41	0	9	9	"InChI=1S/C30H24N2O7S2/c1-17(33)26-25(39-29(35)18-15-21(36-2)24(38-4)22(16-18)37-3)23-27(34)31(19-11-7-5-8-12-19)30(40)32(28(23)41-26)20-13-9-6-10-14-20/h5-16H,1-4H3"	CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC	BUVBZSKYBAXWIN-UHFFFAOYSA-N
DG55908	"6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2-furoate"	383094	"NSC671138; 6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2-furoate; CHEMBL1998315; ZINC1644256; NSC-671138; NCI60_025090; (6-acetyl-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) furan-2-carboxylate; Furan-2-carboxylic acid (1,3-diphenyl-2-thioxo-4-oxo-6-acetyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin)-5-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671138	.	.	.	.	488.5	C25H16N2O5S2	140	826	5.4	34	0	7	6	"InChI=1S/C25H16N2O5S2/c1-15(28)21-20(32-24(30)18-13-8-14-31-18)19-22(29)26(16-9-4-2-5-10-16)25(33)27(23(19)34-21)17-11-6-3-7-12-17/h2-14H,1H3"	CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CO5	CATFQSLDJQMAHG-UHFFFAOYSA-N
DG55909	"6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2-thiophenecarboxylate"	383095	"NSC671139; 6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2-thiophenecarboxylate; CHEMBL1991700; NSC-671139; NCI60_025091; (6-acetyl-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) thiophene-2-carboxylate; Thiophene-2-carboxylic acid (1,3-diphenyl-2-thioxo-4-oxo-6-acetyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin)-5-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671139	.	.	.	.	504.6	C25H16N2O4S3	156	827	6	34	0	7	6	"InChI=1S/C25H16N2O4S3/c1-15(28)21-20(31-24(30)18-13-8-14-33-18)19-22(29)26(16-9-4-2-5-10-16)25(32)27(23(19)34-21)17-11-6-3-7-12-17/h2-14H,1H3"	CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CS5	MNHVDDXXLJPKJY-UHFFFAOYSA-N
DG55910	"Ethyl 5-((2,4-dichlorobenzoyl)oxy)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate"	383097	"NSC671141; CHEMBL1972929; ZINC1644259; NSC-671141; Ethyl 5-((2,4-dichlorobenzoyl)oxy)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate; NCI60_025093; ethyl 5-(2,4-dichlorobenzoyl)oxy-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671141	.	.	.	.	597.5	C28H18Cl2N2O5S2	137	945	7.8	39	0	7	8	"InChI=1S/C28H18Cl2N2O5S2/c1-2-36-27(35)23-22(37-26(34)19-14-13-16(29)15-20(19)30)21-24(33)31(17-9-5-3-6-10-17)28(38)32(25(21)39-23)18-11-7-4-8-12-18/h3-15H,2H2,1H3"	CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=C(C=C(C=C5)Cl)Cl	QBSTVHYRJSUECO-UHFFFAOYSA-N
DG55911	"Ethyl 5-((4-methoxybenzoyl)oxy)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate"	383098	"NSC671142; CHEMBL1967206; ZINC1644260; NSC-671142; Ethyl 5-((4-methoxybenzoyl)oxy)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate; NCI60_025094; ethyl 5-(4-methoxybenzoyl)oxy-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671142	.	.	.	.	558.6	C29H22N2O6S2	146	914	6.5	39	0	8	9	"InChI=1S/C29H22N2O6S2/c1-3-36-28(34)24-23(37-27(33)18-14-16-21(35-2)17-15-18)22-25(32)30(19-10-6-4-7-11-19)29(38)31(26(22)39-24)20-12-8-5-9-13-20/h4-17H,3H2,1-2H3"	CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)OC	YZUXLGUFUCNNCT-UHFFFAOYSA-N
DG55912	"Ethyl 4-oxo-1,3-diphenyl-2-thioxo-5-((3,4,5-trimethoxybenzoyl)oxy)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate"	383099	"NSC671143; CHEMBL1969856; ZINC5741950; NSC-671143; Ethyl 4-oxo-1,3-diphenyl-2-thioxo-5-((3,4,5-trimethoxybenzoyl)oxy)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate; NCI60_025095; 1,3-Diphenyl-2-thioxo-4-oxo-5-(3,4,5-trimethoxybenzoyloxy)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester; ethyl 4-oxo-1,3-diphenyl-2-thioxo-5-(3,4,5-trimethoxybenzoyl)oxy-thieno[2,3-d]pyrimidine-6-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671143	.	.	.	.	618.7	C31H26N2O8S2	164	1010	6.4	43	0	10	11	"InChI=1S/C31H26N2O8S2/c1-5-40-30(36)26-25(41-29(35)18-16-21(37-2)24(39-4)22(17-18)38-3)23-27(34)32(19-12-8-6-9-13-19)31(42)33(28(23)43-26)20-14-10-7-11-15-20/h6-17H,5H2,1-4H3"	CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC	ILPRSOWIQBUWDK-UHFFFAOYSA-N
DG55913	"Ethyl 5-(2-furoyloxy)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate"	383100	"NSC671144; Oprea1_314773; Ethyl 5-(2-furoyloxy)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate; CHEMBL1994252; ZINC1644261; CCG-237984; MCULE-2907125334; NSC-671144; NCI60_025096; 1,3-Diphenyl-2-thioxo-4-oxo-5-(2-furoyloxy)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester; ethyl 5-(furan-2-carbonyloxy)-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671144	.	.	.	.	518.6	C26H18N2O6S2	150	859	5.9	36	0	8	8	"InChI=1S/C26H18N2O6S2/c1-2-32-25(31)21-20(34-24(30)18-14-9-15-33-18)19-22(29)27(16-10-5-3-6-11-16)26(35)28(23(19)36-21)17-12-7-4-8-13-17/h3-15H,2H2,1H3"	CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CO5	CSRXZQOWDHSBJS-UHFFFAOYSA-N
DG55914	"Ethyl 4-oxo-1,3-diphenyl-5-((2-thienylcarbonyl)oxy)-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate"	383101	"NSC671145; Ethyl 4-oxo-1,3-diphenyl-5-((2-thienylcarbonyl)oxy)-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate; CHEMBL1993832; ZINC1644262; NSC-671145; NCI60_025097; 1,3-Diphenyl-2-thioxo-4-oxo-5-(2-thenoyloxy)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester; ethyl 4-oxo-1,3-diphenyl-5-(thiophene-2-carbonyloxy)-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671145	.	.	.	.	534.6	C26H18N2O5S3	165	861	6.5	36	0	8	8	"InChI=1S/C26H18N2O5S3/c1-2-32-25(31)21-20(33-24(30)18-14-9-15-35-18)19-22(29)27(16-10-5-3-6-11-16)26(34)28(23(19)36-21)17-12-7-4-8-13-17/h3-15H,2H2,1H3"	CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CS5	VRESZZRZYAKCQJ-UHFFFAOYSA-N
DG55915	"(-)7,8-Dihydrocalanolide A"	383107	"NSC671151; NSC682400; (-)-Dihydrocalanolide A; (-)7,8-Dihydrocalanolide A; (-)-7,8-Dihydrocalanolide A; CHEMBL2003202; ZINC1489706; NSC-671151; NSC-682400; NCI60_029476"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682400	.	.	.	.	372.5	C22H28O5	65	626	3.9	27	1	5	2	"InChI=1S/C22H28O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h10-12,18,24H,6-9H2,1-5H3/t11-,12-,18+/m0/s1"	CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C4=C2[C@@H]([C@H]([C@@H](O4)C)C)O	YPUTYHJWWMYIGF-OAVHHTNSSA-N
DG55916	"N'-(3-aminopropyl)-N'-[2-[bis[2-[bis(3-aminopropyl)amino]ethyl]amino]ethyl]propane-1,3-diamine"	383108	"NSC671152; CHEMBL1999400; SCHEMBL16403647; NSC-671152; N'-(3-aminopropyl)-N'-[2-[bis[2-[bis(3-aminopropyl)amino]ethyl]amino]ethyl]propane-1,3-diamine; NCI60_025103; Tris[2-[bis(3-aminopropyl)amino]ethyl]amine; N~1~-(3-Aminopropyl)-N~1~-(2-(bis(2-(bis(3-aminopropyl)amino)ethyl)amino)ethyl)-1,3-propanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671152	.	.	.	.	488.8	C24H60N10	169	321	-3.1	34	6	10	27	InChI=1S/C24H60N10/c25-7-1-13-31(14-2-8-26)19-22-34(23-20-32(15-3-9-27)16-4-10-28)24-21-33(17-5-11-29)18-6-12-30/h1-30H2	C(CN)CN(CCCN)CCN(CCN(CCCN)CCCN)CCN(CCCN)CCCN	OTDKXAKMLKPMDA-UHFFFAOYSA-N
DG55917	2-Acetamido-3-[hexadecoxy(hydroxy)phosphoryl]oxy-propanoic acid	383118	NSC671161; Hexadecylphospho(N-acetyl)-L-serine (NH4 salt); CHEMBL2010343; NCI60_025112; 2-acetamido-3-[hexadecoxy(hydroxy)phosphoryl]oxy-propanoic acid; N-Acetyl-O-((hexadecyloxy)(hydroxy)phosphoryl)serine ammoniate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671161	.	.	.	.	451.5	C21H42NO7P	122	502	5.7	30	3	7	21	"InChI=1S/C21H42NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-30(26,27)29-18-20(21(24)25)22-19(2)23/h20H,3-18H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)"	CCCCCCCCCCCCCCCCOP(=O)(O)OCC(C(=O)O)NC(=O)C	MJNWFXZXFFCRAO-UHFFFAOYSA-N
DG55918	2-Amino-3-[dodecyl(hydroxy)phosphoryl]oxy-propanoic acid	383122	NSC671163; Dodecylphosphono-L-serine (di-NH4 salt); CHEMBL2009665; NCI60_025114; O-(Dodecyl(hydroxy)phosphoryl)serine ammoniate; 2-amino-3-[dodecyl(hydroxy)phosphoryl]oxy-propanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671163	.	.	.	.	337.39	C15H32NO5P	110	338	0.9	22	3	6	15	"InChI=1S/C15H32NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-22(19,20)21-13-14(16)15(17)18/h14H,2-13,16H2,1H3,(H,17,18)(H,19,20)"	CCCCCCCCCCCCP(=O)(O)OCC(C(=O)O)N	WJMKXVPURYWBNU-UHFFFAOYSA-N
DG55919	"2,6-Dimethoxy-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	383124	"NSC671165; 2,6-Dimethoxy-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol; SCHEMBL7119969; CHEMBL1999487; NSC-671165; NCI60_025116; 2,6-dimethoxy-4-(7-methyl-6-morpholino-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671165	.	.	.	.	429.5	C23H27NO7	78.8	589	3.4	31	1	8	4	"InChI=1S/C23H27NO7/c1-13-21(14-8-19(26-2)22(25)20(9-14)27-3)15-10-17-18(30-12-29-17)11-16(15)31-23(13)24-4-6-28-7-5-24/h8-11,13,21,23,25H,4-7,12H2,1-3H3"	CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C(=C5)OC)O)OC	HMMFKXIBIIUASW-UHFFFAOYSA-N
DG55920	"2,6-Dimethoxy-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenyl acetate"	383125	"NSC671166; MLS002702244; 2,6-Dimethoxy-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenyl acetate; CHEMBL1887756; NSC-671166; NCI60_025117; SMR001565807; [2,6-dimethoxy-4-(7-methyl-6-morpholino-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenyl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671166	.	.	.	.	471.5	C25H29NO8	84.9	688	3.5	34	0	9	6	"InChI=1S/C25H29NO8/c1-14-23(16-9-21(28-3)24(33-15(2)27)22(10-16)29-4)17-11-19-20(32-13-31-19)12-18(17)34-25(14)26-5-7-30-8-6-26/h9-12,14,23,25H,5-8,13H2,1-4H3"	CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C(=C5)OC)OC(=O)C)OC	ASBSTGZTKLVUCD-UHFFFAOYSA-N
DG55921	"2,6-Dimethoxy-4-(7-methyl-6-(1-piperidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	383126	"NSC671167; MLS002702245; 2,6-Dimethoxy-4-(7-methyl-6-(1-piperidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol; CHEMBL1869597; SCHEMBL19419817; NSC-671167; NCI60_025118; SMR001565808; 2,6-dimethoxy-4-[7-methyl-6-(1-piperidyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671167	.	.	.	.	427.5	C24H29NO6	69.6	587	4.6	31	1	7	4	"InChI=1S/C24H29NO6/c1-14-22(15-9-20(27-2)23(26)21(10-15)28-3)16-11-18-19(30-13-29-18)12-17(16)31-24(14)25-7-5-4-6-8-25/h9-12,14,22,24,26H,4-8,13H2,1-3H3"	CC1C(C2=CC3=C(C=C2OC1N4CCCCC4)OCO3)C5=CC(=C(C(=C5)OC)O)OC	VBMAFJMJCVORJE-UHFFFAOYSA-N
DG55922	"2,6-Dimethoxy-4-(7-methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	383127	"NSC671168; MLS002702246; 2,6-Dimethoxy-4-(7-methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol; CHEMBL1906665; SCHEMBL19419819; NSC-671168; 2,6-dimethoxy-4-(7-methyl-6-pyrrolidin-1-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol; NCI60_025119; SMR001565809"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671168	.	.	.	.	413.5	C23H27NO6	69.6	572	4.3	30	1	7	4	"InChI=1S/C23H27NO6/c1-13-21(14-8-19(26-2)22(25)20(9-14)27-3)15-10-17-18(29-12-28-17)11-16(15)30-23(13)24-6-4-5-7-24/h8-11,13,21,23,25H,4-7,12H2,1-3H3"	CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC(=C(C(=C5)OC)O)OC	MPDXBMJHDYBXLL-UHFFFAOYSA-N
DG55923	"8-(4-Hydroxy-3,5-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol"	383128	"NSC671169; 8-(4-Hydroxy-3,5-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol; CHEMBL1987423; SCHEMBL19419782; NSC-671169; NCI60_025120; 8-(4-hydroxy-3,5-dimethoxy-phenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671169	.	.	.	.	360.4	C19H20O7	86.6	475	3.1	26	2	7	3	"InChI=1S/C19H20O7/c1-9-17(10-4-15(22-2)18(20)16(5-10)23-3)11-6-13-14(25-8-24-13)7-12(11)26-19(9)21/h4-7,9,17,19-21H,8H2,1-3H3"	CC1C(C2=CC3=C(C=C2OC1O)OCO3)C4=CC(=C(C(=C4)OC)O)OC	XLMIVXYTLXWCIZ-UHFFFAOYSA-N
DG55924	"4-(6-(Diethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol"	383129	"NSC671170; MLS002702248; 4-(6-(Diethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol; CHEMBL1734121; NSC-671170; NCI60_025121; SMR001565811; 4-[6-(diethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxy-phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671170	.	.	.	.	415.5	C23H29NO6	69.6	546	4.5	30	1	7	6	"InChI=1S/C23H29NO6/c1-6-24(7-2)23-13(3)21(14-8-19(26-4)22(25)20(9-14)27-5)15-10-17-18(29-12-28-17)11-16(15)30-23/h8-11,13,21,23,25H,6-7,12H2,1-5H3"	CCN(CC)C1C(C(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)O)OC)C	OMMBEWHNDYJBLZ-UHFFFAOYSA-N
DG55925	"2,6-Dimethoxy-4-(6-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	383130	"NSC671171; 2,6-Dimethoxy-4-(6-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol; 2,6-dimethoxy-4-[6-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol; CHEMBL2001572; NSC-671171; NCI60_025122"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671171	.	.	.	.	465.5	C26H27NO7	87.6	645	5.4	34	2	8	6	"InChI=1S/C26H27NO7/c1-14-24(15-9-22(30-3)25(28)23(10-15)31-4)18-11-20-21(33-13-32-20)12-19(18)34-26(14)27-16-5-7-17(29-2)8-6-16/h5-12,14,24,26-28H,13H2,1-4H3"	CC1C(C2=CC3=C(C=C2OC1NC4=CC=C(C=C4)OC)OCO3)C5=CC(=C(C(=C5)OC)O)OC	XWPTTYCGUZLNFK-UHFFFAOYSA-N
DG55926	"2-(8-(4-Hydroxy-3,5-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide"	383131	"NSC671172; Neuro_000410; 2-(8-(4-Hydroxy-3,5-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide; CHEMBL1975159; NSC-671172; NCI60_025123; [[8-(4-hydroxy-3,5-dimethoxy-phenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671172	.	.	.	.	417.4	C20H23N3O7	134	597	2.2	30	4	8	5	"InChI=1S/C20H23N3O7/c1-9-17(10-4-15(26-2)18(24)16(5-10)27-3)11-6-13-14(29-8-28-13)7-12(11)30-19(9)22-23-20(21)25/h4-7,9,17,19,22,24H,8H2,1-3H3,(H3,21,23,25)"	CC1C(C2=CC3=C(C=C2OC1NNC(=O)N)OCO3)C4=CC(=C(C(=C4)OC)O)OC	YVEINCOWHHHOCK-UHFFFAOYSA-N
DG55927	"2,6-Dimethoxy-4-(7-methyl-6-(2-phenylhydrazino)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	383132	"NSC671173; 2,6-Dimethoxy-4-(7-methyl-6-(2-phenylhydrazino)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol; 2,6-dimethoxy-4-[7-methyl-6-(2-phenylhydrazino)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol; CHEMBL1979153; NSC-671173; NCI60_025124"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671173	.	.	.	.	450.5	C25H26N2O6	90.4	620	5.2	33	3	8	6	"InChI=1S/C25H26N2O6/c1-14-23(15-9-21(29-2)24(28)22(10-15)30-3)17-11-19-20(32-13-31-19)12-18(17)33-25(14)27-26-16-7-5-4-6-8-16/h4-12,14,23,25-28H,13H2,1-3H3"	CC1C(C2=CC3=C(C=C2OC1NNC4=CC=CC=C4)OCO3)C5=CC(=C(C(=C5)OC)O)OC	FUNPVMFAHUSZAK-UHFFFAOYSA-N
DG55928	"4-(6-Hydrazino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol"	383133	"NSC671174; 4-(6-Hydrazino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol; CHEMBL1972174; NSC-671174; NCI60_025125; 4-(6-hydrazino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxy-phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671174	.	.	.	.	374.4	C19H22N2O6	104	497	2.6	27	3	8	4	"InChI=1S/C19H22N2O6/c1-9-17(10-4-15(23-2)18(22)16(5-10)24-3)11-6-13-14(26-8-25-13)7-12(11)27-19(9)21-20/h4-7,9,17,19,21-22H,8,20H2,1-3H3"	CC1C(C2=CC3=C(C=C2OC1NN)OCO3)C4=CC(=C(C(=C4)OC)O)OC	SWKDOMTZLKUFNX-UHFFFAOYSA-N
DG55929	"N'-(8-(4-Hydroxy-3,5-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-4-methylbenzenesulfonohydrazide"	383134	"NSC671175; CHEMBL1992020; NSC-671175; N'-(8-(4-Hydroxy-3,5-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-4-methylbenzenesulfonohydrazide; NCI60_025126; N'-[8-(4-hydroxy-3,5-dimethoxy-phenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-4-methyl-benzenesulfonohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671175	.	.	.	.	528.6	C26H28N2O8S	133	849	4.5	37	3	10	7	"InChI=1S/C26H28N2O8S/c1-14-5-7-17(8-6-14)37(30,31)28-27-26-15(2)24(16-9-22(32-3)25(29)23(10-16)33-4)18-11-20-21(35-13-34-20)12-19(18)36-26/h5-12,15,24,26-29H,13H2,1-4H3"	CC1C(C2=CC3=C(C=C2OC1NNS(=O)(=O)C4=CC=C(C=C4)C)OCO3)C5=CC(=C(C(=C5)OC)O)OC	JFEUSPHZFSYOGP-UHFFFAOYSA-N
DG55930	"4-(6-Anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol"	383135	"NSC671176; 4-(6-Anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol; CHEMBL1999037; NSC-671176; NCI60_025127; 4-(6-anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxy-phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671176	.	.	.	.	435.5	C25H25NO6	78.4	601	5.4	32	2	7	5	"InChI=1S/C25H25NO6/c1-14-23(15-9-21(28-2)24(27)22(10-15)29-3)17-11-19-20(31-13-30-19)12-18(17)32-25(14)26-16-7-5-4-6-8-16/h4-12,14,23,25-27H,13H2,1-3H3"	CC1C(C2=CC3=C(C=C2OC1NC4=CC=CC=C4)OCO3)C5=CC(=C(C(=C5)OC)O)OC	KIMKJIOHFAZKKP-UHFFFAOYSA-N
DG55931	"4-(6-((2-Hydroxyethyl)amino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol"	383136	"NSC671177; 4-(6-((2-Hydroxyethyl)amino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol; CHEMBL1983483; NSC-671177; NCI60_025128; 4-[6-(2-hydroxyethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxy-phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671177	.	.	.	.	403.4	C21H25NO7	98.6	523	2.6	29	3	8	6	"InChI=1S/C21H25NO7/c1-11-19(12-6-17(25-2)20(24)18(7-12)26-3)13-8-15-16(28-10-27-15)9-14(13)29-21(11)22-4-5-23/h6-9,11,19,21-24H,4-5,10H2,1-3H3"	CC1C(C2=CC3=C(C=C2OC1NCCO)OCO3)C4=CC(=C(C(=C4)OC)O)OC	PLYMCEKNTUNNOM-UHFFFAOYSA-N
DG55932	"4-[6-(2-isopropylidenehydrazino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxy-phenol"	383137	"NSC671178; CHEMBL1971766; NSC-671178; Acetone (8-(4-hydroxy-3,5-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazone; NCI60_025129; 4-[6-(2-isopropylidenehydrazino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxy-phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671178	.	.	.	.	414.5	C22H26N2O6	90.8	600	4.1	30	2	8	5	"InChI=1S/C22H26N2O6/c1-11(2)23-24-22-12(3)20(13-6-18(26-4)21(25)19(7-13)27-5)14-8-16-17(29-10-28-16)9-15(14)30-22/h6-9,12,20,22,24-25H,10H2,1-5H3"	CC1C(C2=CC3=C(C=C2OC1NN=C(C)C)OCO3)C4=CC(=C(C(=C4)OC)O)OC	YUBASNZYWLTYMW-UHFFFAOYSA-N
DG55933	"[5-(Carbamoyloxymethyl)-1,3-diphenyl-pyrazol-4-yl]methyl carbamate"	383139	"NSC671180; CHEMBL1965409; 1H-Pyrazole-4,5-dimethanol, 1,3-diphenyl-, dicarbamate (ester); NSC-671180; NCI60_025131; [5-(carbamoyloxymethyl)-1,3-diphenyl-pyrazol-4-yl]methyl carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671180	.	.	.	.	366.4	C19H18N4O4	123	506	1.8	27	2	5	8	"InChI=1S/C19H18N4O4/c20-18(24)26-11-15-16(12-27-19(21)25)23(14-9-5-2-6-10-14)22-17(15)13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,20,24)(H2,21,25)"	C1=CC=C(C=C1)C2=NN(C(=C2COC(=O)N)COC(=O)N)C3=CC=CC=C3	FYNCVWMPCPGNDH-UHFFFAOYSA-N
DG55934	"4,5-Bis(chloromethyl)-1,3-diphenyl-1H-pyrazole"	383140	"NSC671181; 4,5-Bis(chloromethyl)-1,3-diphenyl-1H-pyrazole; CHEMBL1994561; NSC-671181; NCI60_025132; 4,5-bis(chloromethyl)-1,3-diphenyl-pyrazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671181	.	.	.	.	317.2	C17H14Cl2N2	17.8	314	4.4	21	0	1	4	"InChI=1S/C17H14Cl2N2/c18-11-15-16(12-19)21(14-9-5-2-6-10-14)20-17(15)13-7-3-1-4-8-13/h1-10H,11-12H2"	C1=CC=C(C=C1)C2=NN(C(=C2CCl)CCl)C3=CC=CC=C3	QKAAHRLZQRYVCE-UHFFFAOYSA-N
DG55935	"Methyl 5,6-dihydroxynaphthalene-2-carboxylate"	383146	"NSC671187; CHEMBL18276; methyl 5,6-dihydroxynaphthalene-2-carboxylate; 2-naphthalenecarboxylic acid, 5,6-dihydroxy-, methyl ester; 146515-44-8; SCHEMBL7590492; BDBM50029224; Methyl 5,6-dihydroxy-2-naphthoic acid; NSC-671187; NCI60_025136; 5,6-Dihydroxy-2-naphthalenecarboxylic acid methyl ester; 5,6-Dihydroxy-naphthalene-2-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671187	.	.	.	.	218.2	C12H10O4	66.8	266	2.3	16	2	4	2	"InChI=1S/C12H10O4/c1-16-12(15)8-2-4-9-7(6-8)3-5-10(13)11(9)14/h2-6,13-14H,1H3"	COC(=O)C1=CC2=C(C=C1)C(=C(C=C2)O)O	OHWJXNLECYLABW-UHFFFAOYSA-N
DG55936	"N-[2-(3,4-dihydroxyphenyl)ethyl]-2-phenyl-acetamide"	383147	"NSC671188; CHEMBL134573; ZINC1644299; BDBM50029197; NSC-671188; NCI60_025137; N-[2-(3,4-Dihydroxyphenyl)ethyl]phenylacetamide; N-[2-(3,4-dihydroxyphenyl)ethyl]-2-phenyl-acetamide; N-[2-(3,4-Dihydroxy-phenyl)-ethyl]-2-phenyl-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671188	.	.	.	.	271.31	C16H17NO3	69.6	302	2.2	20	3	3	5	"InChI=1S/C16H17NO3/c18-14-7-6-13(10-15(14)19)8-9-17-16(20)11-12-4-2-1-3-5-12/h1-7,10,18-19H,8-9,11H2,(H,17,20)"	C1=CC=C(C=C1)CC(=O)NCCC2=CC(=C(C=C2)O)O	GGGICHWZMLXHLJ-UHFFFAOYSA-N
DG55937	"N-[2-(3,4-Dihydroxyphenyl)ethyl]-3-phenylpropanamide"	383148	"NSC671189; CHEMBL132194; N-[2-(3,4-Dihydroxyphenyl)ethyl]-3-phenylpropanamide; SCHEMBL3324677; ZINC1644300; BDBM50029203; AKOS017107437; NSC-671189; NCI60_025138; N-[2-(3,4-dihydroxyphenyl)ethyl]-3-phenyl-propanamide; N-[2-(3,4-Dihydroxy-phenyl)-ethyl]-3-phenyl-propionamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671189	.	.	.	.	285.34	C17H19NO3	69.6	315	2.5	21	3	3	6	"InChI=1S/C17H19NO3/c19-15-8-6-14(12-16(15)20)10-11-18-17(21)9-7-13-4-2-1-3-5-13/h1-6,8,12,19-20H,7,9-11H2,(H,18,21)"	C1=CC=C(C=C1)CCC(=O)NCCC2=CC(=C(C=C2)O)O	AQTKQQPTLASVMQ-UHFFFAOYSA-N
DG55938	"N-Phenethyl-3-(3,4-dihydroxyphenyl)propionamide"	383149	"NSC671190; CHEMBL132024; ZINC1644301; BDBM50029200; NSC-671190; NCI60_025139; 3-(3,4-dihydroxyphenyl)-N-phenethyl-propanamide; N-Phenethyl-3-(3,4-dihydroxyphenyl)propionamide; 3-(3,4-Dihydroxy-phenyl)-N-phenethyl-propionamide; N-(.beta.-Phenylethyl)-3-(3,4-dihydroxyphenyl)propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671190	.	.	.	.	285.34	C17H19NO3	69.6	315	2.5	21	3	3	6	"InChI=1S/C17H19NO3/c19-15-8-6-14(12-16(15)20)7-9-17(21)18-11-10-13-4-2-1-3-5-13/h1-6,8,12,19-20H,7,9-11H2,(H,18,21)"	C1=CC=C(C=C1)CCNC(=O)CCC2=CC(=C(C=C2)O)O	AQPITNHTVNCELU-UHFFFAOYSA-N
DG55939	"Ethyl 3-oxo-3-((5-oxo-5H-thiochromeno[2,3-b]pyridin-6-yl)amino)propanoate"	383156	"NSC671267; Ethyl 3-oxo-3-((5-oxo-5H-thiochromeno[2,3-b]pyridin-6-yl)amino)propanoate; CHEMBL1989938; ZINC1644309; ethyl 3-oxo-3-[(5-oxothiochromeno[2,3-b]pyridin-6-yl)amino]propanoate; NSC-671267; NCI60_025150"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671267	.	.	.	.	342.4	C17H14N2O4S	111	513	2.9	24	1	6	5	"InChI=1S/C17H14N2O4S/c1-2-23-14(21)9-13(20)19-11-6-3-7-12-15(11)16(22)10-5-4-8-18-17(10)24-12/h3-8H,2,9H2,1H3,(H,19,20)"	CCOC(=O)CC(=O)NC1=C2C(=CC=C1)SC3=C(C2=O)C=CC=N3	LIXGSGUWVYZYCK-UHFFFAOYSA-N
DG55940	N-methyl-4-nitro-N-(p-tolyl)benzenesulfonamide	383162	NSC671275; CHEMBL1990677; ZINC1644313; AKOS003662635; MCULE-2302287118; NSC-671275; NCI60_025155; N-methyl-4-nitro-N-(p-tolyl)benzenesulfonamide; 4-(Hydroxy(oxido)amino)-N-methyl-N-(4-methylphenyl)benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671275	.	.	.	.	306.34	C14H14N2O4S	91.6	452	2.8	21	0	5	3	"InChI=1S/C14H14N2O4S/c1-11-3-5-12(6-4-11)15(2)21(19,20)14-9-7-13(8-10-14)16(17)18/h3-10H,1-2H3"	CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]	LERDDYBGAMSYLV-UHFFFAOYSA-N
DG55941	"N-(3-chlorophenyl)-3-[4-(4-chlorophenyl)azo-3,5-diphenyl-pyrazol-1-yl]-3-oxo-propanamide"	383188	"NSC671309; CHEMBL1984775; NSC-671309; NCI60_025167; N-(3-chlorophenyl)-3-[4-(4-chlorophenyl)azo-3,5-diphenyl-pyrazol-1-yl]-3-oxo-propanamide; N-(3-Chlorophenyl)-3-(4-((4-chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671309	.	.	.	.	554.4	C30H21Cl2N5O2	88.7	839	8	39	1	5	7	"InChI=1S/C30H21Cl2N5O2/c31-22-14-16-24(17-15-22)34-35-29-28(20-8-3-1-4-9-20)36-37(30(29)21-10-5-2-6-11-21)27(39)19-26(38)33-25-13-7-12-23(32)18-25/h1-18H,19H2,(H,33,38)"	C1=CC=C(C=C1)C2=C(C(=NN2C(=O)CC(=O)NC3=CC(=CC=C3)Cl)C4=CC=CC=C4)N=NC5=CC=C(C=C5)Cl	DROBQIDBQOWYNQ-UHFFFAOYSA-N
DG55942	"2-((1-(3-(4-Chloroanilino)-3-oxopropanoyl)-3,5-diphenyl-1H-pyrazol-4-yl)diazenyl)benzoic acid"	383189	"NSC671310; CHEMBL1969272; NSC-671310; 2-((1-(3-(4-Chloroanilino)-3-oxopropanoyl)-3,5-diphenyl-1H-pyrazol-4-yl)diazenyl)benzoic acid; NCI60_025168; 2-[(E)-[1-[3-(4-chloroanilino)-3-oxo-propanoyl]-3,5-diphenyl-pyrazol-4-yl]azo]benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671310	.	.	.	.	564	C31H22ClN5O4	126	930	6.9	41	2	7	8	"InChI=1S/C31H22ClN5O4/c32-22-15-17-23(18-16-22)33-26(38)19-27(39)37-30(21-11-5-2-6-12-21)29(28(36-37)20-9-3-1-4-10-20)35-34-25-14-8-7-13-24(25)31(40)41/h1-18H,19H2,(H,33,38)(H,40,41)"	C1=CC=C(C=C1)C2=C(C(=NN2C(=O)CC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4)N=NC5=CC=CC=C5C(=O)O	DKHWWLRHWKHLRD-UHFFFAOYSA-N
DG55943	"2-(Trifluoromethyl)benzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine"	383194	"NSC671313; 2-(Trifluoromethyl)benzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine; CHEMBL1984950; NSC-671313; NCI60_025171; 2-(trifluoromethyl)-13H-benzimidazolo[2,1-b][1,3,5]benzothiadiazepin-12-imine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671313	.	.	.	.	334.3	C15H9F3N4S	81.5	498	5.2	23	1	6	0	"InChI=1S/C15H9F3N4S/c16-15(17,18)8-5-6-12-10(7-8)20-13(19)22-11-4-2-1-3-9(11)21-14(22)23-12/h1-7H,(H2,19,20)"	C1=CC=C2C(=C1)N=C3N2C(=NC4=C(S3)C=CC(=C4)C(F)(F)F)N	MDBMSKHVSJETMQ-UHFFFAOYSA-N
DG55944	"2-Chlorobenzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine"	383195	"NSC671314; 2-Chlorobenzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine; CHEMBL1985532; NSC-671314; NCI60_025172; 2-chloro-13H-benzimidazolo[2,1-b][1,3,5]benzothiadiazepin-12-imine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671314	.	.	.	.	300.8	C14H9ClN4S	81.5	418	5	20	1	3	0	"InChI=1S/C14H9ClN4S/c15-8-5-6-12-10(7-8)17-13(16)19-11-4-2-1-3-9(11)18-14(19)20-12/h1-7H,(H2,16,17)"	C1=CC=C2C(=C1)N=C3N2C(=NC4=C(S3)C=CC(=C4)Cl)N	IXOLATYNIPAZRO-UHFFFAOYSA-N
DG55945	"8-Methoxybenzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine"	383196	"NSC671315; 8-Methoxybenzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine; CHEMBL1980987; NSC-671315; NCI60_025173; 8-methoxy-13H-benzimidazolo[2,1-b][1,3,5]benzothiadiazepin-12-imine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671315	.	.	.	.	296.3	C15H12N4OS	90.7	432	4.3	21	1	4	1	"InChI=1S/C15H12N4OS/c1-20-9-6-7-12-11(8-9)18-15-19(12)14(16)17-10-4-2-3-5-13(10)21-15/h2-8H,1H3,(H2,16,17)"	COC1=CC2=C(C=C1)N3C(=NC4=CC=CC=C4SC3=N2)N	VTDSJRVANHDMFK-UHFFFAOYSA-N
DG55946	Batyl-P-araC	383215	Batyl-P-araC; NSC671331; CHEMBL1987337; NSC-671331	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671331	.	.	.	.	666.8	C30H59N4O10P	195	908	.	45	6	11	26	"InChI=1S/C30H56N3O10P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-40-21-24(34)22-41-44(38,39)42-23-25-27(35)28(36)29(43-25)33-19-18-26(31)32-30(33)37;/h18-19,24-25,27-29,34-36H,2-17,20-23H2,1H3,(H,38,39)(H2,31,32,37);1H3"	CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)O.N	DWFITYHRYZGUQJ-UHFFFAOYSA-N
DG55947	"N',2-Bis(2-bromo-4-methylphenyl)diazenecarbohydrazide"	383217	"NSC671332; N',2-Bis(2-bromo-4-methylphenyl)diazenecarbohydrazide; CHEMBL1999865; NSC-671332; NCI60_025184; (3E)-1-(2-bromo-4-methyl-anilino)-3-(2-bromo-4-methyl-phenyl)imino-urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671332	.	.	.	.	426.11	C15H14Br2N4O	65.8	407	5.7	22	2	3	3	"InChI=1S/C15H14Br2N4O/c1-9-3-5-13(11(16)7-9)18-20-15(22)21-19-14-6-4-10(2)8-12(14)17/h3-8,18H,1-2H3,(H,20,22)"	CC1=CC(=C(C=C1)NNC(=O)N=NC2=C(C=C(C=C2)C)Br)Br	VJHPYEBEVMZZJT-UHFFFAOYSA-N
DG55948	"N',2-Bis(2,4-dichlorophenyl)diazenecarbohydrazide"	383226	"NSC671341; N',2-Bis(2,4-dichlorophenyl)diazenecarbohydrazide; CHEMBL2007606; SCHEMBL21379719; SCHEMBL21379720; 1,5-di(2,4-dichlorophenyl)carbazone; NSC-671341; NCI60_025193; (3E)-1-(2,4-dichloroanilino)-3-(2,4-dichlorophenyl)imino-urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671341	.	.	.	.	378	C13H8Cl4N4O	65.8	412	6.1	22	2	3	3	"InChI=1S/C13H8Cl4N4O/c14-7-1-3-11(9(16)5-7)18-20-13(22)21-19-12-4-2-8(15)6-10(12)17/h1-6,18H,(H,20,22)"	C1=CC(=C(C=C1Cl)Cl)NNC(=O)N=NC2=C(C=C(C=C2)Cl)Cl	DNKSUAOJBACASX-UHFFFAOYSA-N
DG55949	"N',2-Bis(5-chloro-2-methylphenyl)diazenecarbohydrazide"	383232	"NSC671347; CHEMBL2005596; N',2-Bis(5-chloro-2-methylphenyl)diazenecarbohydrazide; NSC-671347; NCI60_025199; 1,5-Bis(5-chloro-2-methylphenyl)carbazone; (3E)-1-(5-chloro-2-methyl-anilino)-3-(5-chloro-2-methyl-phenyl)imino-urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671347	.	.	.	.	337.2	C15H14Cl2N4O	65.8	407	5.6	22	2	3	3	"InChI=1S/C15H14Cl2N4O/c1-9-3-5-11(16)7-13(9)18-20-15(22)21-19-14-8-12(17)6-4-10(14)2/h3-8,18H,1-2H3,(H,20,22)"	CC1=C(C=C(C=C1)Cl)NNC(=O)N=NC2=C(C=CC(=C2)Cl)C	XSWUMDWWERZSFO-UHFFFAOYSA-N
DG55950	"N',2-Bis(4-bromophenyl)diazenecarbohydrazide"	383233	"NSC671348; N',2-Bis(4-bromophenyl)diazenecarbohydrazide; CHEMBL1995262; NSC-671348; NCI60_025200; (3E)-1-(4-bromoanilino)-3-(4-bromophenyl)imino-urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671348	.	.	.	.	398.05	C13H10Br2N4O	65.8	337	5	20	2	3	3	"InChI=1S/C13H10Br2N4O/c14-9-1-5-11(6-2-9)16-18-13(20)19-17-12-7-3-10(15)4-8-12/h1-8,16H,(H,18,20)"	C1=CC(=CC=C1NNC(=O)N=NC2=CC=C(C=C2)Br)Br	YMUUVSDUCNXTIA-UHFFFAOYSA-N
DG55951	"9-Nitrobenzo[b][1,6]naphthyridine-6-carboxylic acid"	383234	"NSC671349; 9-nitrobenzo[b][1,6]naphthyridine-6-carboxylic acid; CHEMBL1986562; NSC-671349; NCI60_025201; 9-(Hydroxy(oxido)amino)benzo[b][1,6]naphthyridine-6-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671349	.	.	.	.	269.21	C13H7N3O4	109	411	1.8	20	1	6	1	"InChI=1S/C13H7N3O4/c17-13(18)8-1-2-11(16(19)20)9-5-7-6-14-4-3-10(7)15-12(8)9/h1-6H,(H,17,18)"	C1=CC(=C2C=C3C=NC=CC3=NC2=C1C(=O)O)[N+](=O)[O-]	XJQUAJBNMDPNCH-UHFFFAOYSA-N
DG55952	"3-(4-(Dimethylamino)phenyl)-4,5-bis(phenylimino)-1,3-thiazolidine-2-thione"	383237	"NSC671352; CHEMBL1983546; ZINC18118319; 3-(4-(Dimethylamino)phenyl)-4,5-bis(phenylimino)-1,3-thiazolidine-2-thione; ZINC104311297; ZINC104311302; ZINC104311308; NSC-671352; NCI60_025204; (4E,5Z)-3-(4-dimethylaminophenyl)-4,5-bis(phenylimino)thiazolidine-2-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671352	.	.	.	.	416.6	C23H20N4S2	88.6	625	6.4	29	0	5	4	"InChI=1S/C23H20N4S2/c1-26(2)19-13-15-20(16-14-19)27-21(24-17-9-5-3-6-10-17)22(29-23(27)28)25-18-11-7-4-8-12-18/h3-16H,1-2H3"	CN(C)C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)SC2=S	DJWXJQJTFZVOEH-UHFFFAOYSA-N
DG55953	"Ethyl 4-((5-((4-(ethoxycarbonyl)phenyl)imino)-3-(4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-ylidene)amino)benzoate"	383238	"NSC671353; CHEMBL2000989; ZINC5741984; ZINC104311310; ZINC104311314; ZINC104311317; NSC-671353; NCI60_025205; Ethyl 4-((5-((4-(ethoxycarbonyl)phenyl)imino)-3-(4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-ylidene)amino)benzoate; ethyl 4-[(E)-[(5Z)-5-(4-ethoxycarbonylphenyl)imino-3-(4-fluorophenyl)-2-thioxo-thiazolidin-4-ylidene]amino]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671353	.	.	.	.	535.6	C27H22FN3O4S2	138	890	6.8	37	0	9	9	"InChI=1S/C27H22FN3O4S2/c1-3-34-25(32)17-5-11-20(12-6-17)29-23-24(30-21-13-7-18(8-14-21)26(33)35-4-2)37-27(36)31(23)22-15-9-19(28)10-16-22/h5-16H,3-4H2,1-2H3"	CCOC(=O)C1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)C(=O)OCC)SC(=S)N2C4=CC=C(C=C4)F	JTPHXCIGGJOXSF-UHFFFAOYSA-N
DG55954	"N-(3-(Phenylimino)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2(3H)-ylidene)aniline"	383251	"NSC671365; CHEMBL2007193; ZINC18097584; ZINC18252286; ZINC104311417; ZINC104311420; NSC-671365; N-(3-(Phenylimino)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2(3H)-ylidene)aniline; NCI60_025217; N2,N3-diphenyl-5,6-dihydroimidazo[2,1-b]thiazole-2,3-diimine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671365	.	.	.	.	306.4	C17H14N4S	65.6	499	3.8	22	0	4	2	"InChI=1S/C17H14N4S/c1-3-7-13(8-4-1)19-15-16(20-14-9-5-2-6-10-14)22-17-18-11-12-21(15)17/h1-10H,11-12H2"	C1CN2C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)SC2=N1	GFBWUJYYTUBVSP-UHFFFAOYSA-N
DG55955	"Diethyl 2-(3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)malonate"	383252	"NSC671366; CHEMBL1976030; ZINC17255751; ZINC18255992; Diethyl 2-(3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)malonate; ZINC104311424; ZINC104311430; NSC-671366; NCI60_025218; diethyl 2-[(5E)-3-phenyl-4,5-bis(phenylimino)thiazolidin-2-ylidene]propanedioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671366	.	.	.	.	499.6	C28H25N3O4S	106	846	6.4	36	0	7	9	"InChI=1S/C28H25N3O4S/c1-3-34-27(32)23(28(33)35-4-2)26-31(22-18-12-7-13-19-22)24(29-20-14-8-5-9-15-20)25(36-26)30-21-16-10-6-11-17-21/h5-19H,3-4H2,1-2H3"	CCOC(=O)C(=C1N(C(=NC2=CC=CC=C2)C(=NC3=CC=CC=C3)S1)C4=CC=CC=C4)C(=O)OCC	DSIXTMBNWMGAHV-UHFFFAOYSA-N
DG55956	"2-(3-Phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)malononitrile"	383253	"NSC671367; MLS002702250; CHEMBL1723221; CHEMBL1986481; ZINC17255763; ZINC18177092; ZINC84459962; 2-(3-Phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)malononitrile; ZINC102798356; NSC-671367; NCI60_025219; SMR001565813; 2-[3-phenyl-4,5-bis(phenylimino)thiazolidin-2-ylidene]malononitrile; 2-[(4E,5Z)-3-phenyl-4,5-bis(phenylimino)thiazolidin-2-ylidene]propanedinitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671367	.	.	.	.	405.5	C24H15N5S	101	787	5.4	30	0	5	3	InChI=1S/C24H15N5S/c25-16-18(17-26)24-29(21-14-8-3-9-15-21)22(27-19-10-4-1-5-11-19)23(30-24)28-20-12-6-2-7-13-20/h1-15H	C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)SC(=C(C#N)C#N)N2C4=CC=CC=C4	MLADKRXBDKHQRM-UHFFFAOYSA-N
DG55957	"4-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline"	383260	"NSC671374; 4-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline; CHEMBL1986627; N-(4-chlorophenyl)-3-methyl-1,3-benzothiazol-2-imine; ZINC13161715; ZINC102934286; ZINC252673397; MCULE-2077326082; NSC-671374; NCI60_025226; AN-689/40796296; N-[3-Methylbenzothiazol-2(3H)-ylidene]-4-chloroaniline; N-(4-Chlorophenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671374	.	.	.	.	274.8	C14H11ClN2S	40.9	326	4.4	18	0	2	1	"InChI=1S/C14H11ClN2S/c1-17-12-4-2-3-5-13(12)18-14(17)16-11-8-6-10(15)7-9-11/h2-9H,1H3"	CN1C2=CC=CC=C2SC1=NC3=CC=C(C=C3)Cl	REKRGCCHFORPEM-UHFFFAOYSA-N
DG55958	"3-methyl-N-(2-nitrophenyl)-1,3-benzothiazol-2-imine"	383261	"NSC671375; 3-methyl-N-(2-nitrophenyl)-1,3-benzothiazol-2-imine; CHEMBL1993018; ZINC13222585; ZINC103014092; NSC-671375; NCI60_025227; 2-((2-(Hydroxy(oxido)amino)phenyl)imino)-3-methyl-2,3-dihydro-1,3-benzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671375	.	.	.	.	285.32	C14H11N3O2S	86.7	410	3.5	20	0	4	1	"InChI=1S/C14H11N3O2S/c1-16-12-8-4-5-9-13(12)20-14(16)15-10-6-2-3-7-11(10)17(18)19/h2-9H,1H3"	CN1C2=CC=CC=C2SC1=NC3=CC=CC=C3[N+](=O)[O-]	AAYJCJQOGBMCHQ-UHFFFAOYSA-N
DG55959	"2-Imidazolidinone, 1-benzoyl-3-phenyl-4,5-bis(phenylimino)-, (4Z,5Z)-"	383263	"NSC671377; CHEMBL1989003; 2-Imidazolidinone, 1-benzoyl-3-phenyl-4,5-bis(phenylimino)-, (4Z,5Z)-; ZINC102985743; ZINC104311516; ZINC104311523; ZINC104311528; NSC-671377; NCI60_025229; (4Z,5Z)-1-benzoyl-3-phenyl-4,5-bis(phenylimino)imidazolidin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671377	.	.	.	.	444.5	C28H20N4O2	65.3	782	6.1	34	0	4	4	InChI=1S/C28H20N4O2/c33-27(21-13-5-1-6-14-21)32-26(30-23-17-9-3-10-18-23)25(29-22-15-7-2-8-16-22)31(28(32)34)24-19-11-4-12-20-24/h1-20H	C1=CC=C(C=C1)C(=O)N2C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)N(C2=O)C5=CC=CC=C5	HXWMFCLWDJULMR-UHFFFAOYSA-N
DG55960	"Benzamide, N-(4,5-dioxo-1,3-diphenyl-2-imidazolidinylidene)-"	383264	"NSC671378; CHEMBL1986225; Benzamide, N-(4,5-dioxo-1,3-diphenyl-2-imidazolidinylidene)-; ZINC1644356; NSC-671378; NCI60_025230; N-(4,5-dioxo-1,3-diphenyl-imidazolidin-2-ylidene)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671378	.	.	.	.	369.4	C22H15N3O3	70	603	4.3	28	0	3	3	InChI=1S/C22H15N3O3/c26-19(16-10-4-1-5-11-16)23-22-24(17-12-6-2-7-13-17)20(27)21(28)25(22)18-14-8-3-9-15-18/h1-15H	C1=CC=C(C=C1)C(=O)N=C2N(C(=O)C(=O)N2C3=CC=CC=C3)C4=CC=CC=C4	VEFUTPAZBSHDMO-UHFFFAOYSA-N
DG55961	"N-[1,3-diphenyl-4,5-bis(phenylimino)imidazolidin-2-ylidene]-4-methoxybenzamide"	383265	"NSC671379; CHEMBL2006527; ZINC8399353; ZINC252615429; MCULE-3143906211; NSC-671379; N-[1,3-diphenyl-4,5-bis(phenylimino)imidazolidin-2-ylidene]-4-methoxybenzamide; NCI60_025231; AN-689/41741322; Benzamide, N-[(4Z,5Z)-1,3-diphenyl-4,5-bis(phenylimino)-2-imidazolidinylidene]-4-methoxy-; N-[(4Z,5Z)-1,3-diphenyl-4,5-bis(phenylimino)imidazolidin-2-ylidene]-4-methoxy-benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671379	.	.	.	.	549.6	C35H27N5O2	69.9	917	7.9	42	0	4	6	"InChI=1S/C35H27N5O2/c1-42-31-24-22-26(23-25-31)34(41)38-35-39(29-18-10-4-11-19-29)32(36-27-14-6-2-7-15-27)33(37-28-16-8-3-9-17-28)40(35)30-20-12-5-13-21-30/h2-25H,1H3"	COC1=CC=C(C=C1)C(=O)N=C2N(C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)N2C5=CC=CC=C5)C6=CC=CC=C6	JSEDJJGSOXUUEC-UHFFFAOYSA-N
DG55962	"4,5-Imidazolidinedione, 1-phenyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]-"	383274	"NSC671388; 4,5-Imidazolidinedione, 1-phenyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]-; CHEMBL1966877; ZINC1644361; NSC-671388; NCI60_025240; 1-phenyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]imidazolidine-4,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671388	.	.	.	.	350.3	C16H9F3N2O2S	72.7	546	4.1	24	0	6	2	"InChI=1S/C16H9F3N2O2S/c17-16(18,19)10-5-4-8-12(9-10)21-14(23)13(22)20(15(21)24)11-6-2-1-3-7-11/h1-9H"	C1=CC=C(C=C1)N2C(=O)C(=O)N(C2=S)C3=CC=CC(=C3)C(F)(F)F	VQZKXOUCFBHILV-UHFFFAOYSA-N
DG55963	"1-Benzoyl-4,5-bis(phenylimino)-3-pyridin-2-ylimidazolidine-2-thione"	383278	"NSC671392; CHEMBL1983003; ZINC18167180; ZINC18167182; ZINC102947451; ZINC103710917; ZINC103710924; MCULE-6471605824; NSC-671392; NCI60_025244; AN-689/41741279; 1-benzoyl-4,5-bis(phenylimino)-3-pyridin-2-ylimidazolidine-2-thione; [(4Z,5Z)-4,5-bis(phenylimino)-3-(2-pyridyl)-2-thioxo-imidazolidin-1-yl]-phenyl-methanone; 2-Imidazolidinethione, 1-benzoyl-4,5-bis(phenylimino)-3-(2-pyridinyl)-, (4Z,5Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671392	.	.	.	.	461.5	C27H19N5OS	93.2	793	6	34	0	5	4	InChI=1S/C27H19N5OS/c33-26(20-12-4-1-5-13-20)32-25(30-22-16-8-3-9-17-22)24(29-21-14-6-2-7-15-21)31(27(32)34)23-18-10-11-19-28-23/h1-19H	C1=CC=C(C=C1)C(=O)N2C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)N(C2=S)C5=CC=CC=N5	WYXBGZIUFLMIHM-UHFFFAOYSA-N
DG55964	"1-p-Anisyl-3-(N,N-dimethyl-p-aminophenyl)-4,5-bis(p-anisylimino)imidazolidin-2-thione"	383280	"NSC671394; 128944-81-0; MLS000539164; MLS002702251; 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]imidazolidine-2-thione; 1-p-Anisyl-3-(N,N-dimethyl-p-aminophenyl)-4,5-bis(p-anisylimino)imidazolidin-2-thione; SMR000160945; NSC 671394; NCIChal_000021; NCIMech_000714; cid_383280; CHEMBL1974868; CHEMBL3192140; BDBM94261; HMS2475C06; CCG-36146; CCG-36477; ZINC17542445; ZINC17919212; ZINC101276551; ZINC102311586; ZINC252622912; MCULE-8091796385; NSC-671394; NCGC00247276-01; NCI60_025246; AN-689/41741280; 1-p-Anisyl-3-(N,5-bis(p-anisylimino)imidazolidin-2-thione; (4E,5Z)-1-(4-dimethylaminophenyl)-3-(4-methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]imidazolidine-2-thione; 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]-2-imidazolidinethione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671394	.	.	.	.	565.7	C32H31N5O3S	94.2	912	6.9	41	0	7	8	"InChI=1S/C32H31N5O3S/c1-35(2)24-10-12-25(13-11-24)36-30(33-22-6-16-27(38-3)17-7-22)31(34-23-8-18-28(39-4)19-9-23)37(32(36)41)26-14-20-29(40-5)21-15-26/h6-21H,1-5H3"	CN(C)C1=CC=C(C=C1)N2C(=NC3=CC=C(C=C3)OC)C(=NC4=CC=C(C=C4)OC)N(C2=S)C5=CC=C(C=C5)OC	OFQDDTLVBDRDIE-UHFFFAOYSA-N
DG55965	"1-(4-Methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]-3-(phenylsulfonyl)imidazolidine-2-thione"	383282	"NSC671396; CHEMBL1976253; ZINC102922442; ZINC103710698; ZINC103710706; ZINC103710712; ZINC252620520; MCULE-8026863553; NSC-671396; 1-(4-methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]-3-(phenylsulfonyl)imidazolidine-2-thione; NCI60_025248; AN-689/41741301; (4Z,5Z)-1-(benzenesulfonyl)-3-(4-methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]imidazolidine-2-thione; 2-Imidazolidinethione, 1-(4-methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]-3-(phenylsulfonyl)-, (4Z,5Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671396	.	.	.	.	586.7	C30H26N4O5S2	134	1050	6.3	41	0	8	8	"InChI=1S/C30H26N4O5S2/c1-37-24-15-9-21(10-16-24)31-28-29(32-22-11-17-25(38-2)18-12-22)34(41(35,36)27-7-5-4-6-8-27)30(40)33(28)23-13-19-26(39-3)20-14-23/h4-20H,1-3H3"	COC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)OC)N(C(=S)N2C4=CC=C(C=C4)OC)S(=O)(=O)C5=CC=CC=C5	MFRQJFXQNKYWMD-UHFFFAOYSA-N
DG55966	"4-Imidazolidinethione, 2-imino-1,3-diphenyl-5-(phenylimino)-, (5Z)-"	383285	"NSC671399; MLS002702252; CHEMBL1978350; CHEMBL2369338; SCHEMBL19643959; SCHEMBL19643960; 4-Imidazolidinethione, 2-imino-1,3-diphenyl-5-(phenylimino)-, (5Z)-; ZINC16958720; ZINC102918427; ZINC252628363; MCULE-5180662953; NSC-671399; NCI60_025251; SMR001565814; 4-Imidazolidinethione,3-diphenyl-5-(phenylimino)-; AN-689/41741103; 2-imino-1,3-diphenyl-5-(phenylimino)-4-imidazolidinethione; (5Z)-2-imino-1,3-diphenyl-5-phenylimino-imidazolidine-4-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671399	.	.	.	.	356.4	C21H16N4S	74.8	554	5.1	26	1	3	3	"InChI=1S/C21H16N4S/c22-21-24(17-12-6-2-7-13-17)19(23-16-10-4-1-5-11-16)20(26)25(21)18-14-8-3-9-15-18/h1-15,22H"	C1=CC=C(C=C1)N=C2C(=S)N(C(=N)N2C3=CC=CC=C3)C4=CC=CC=C4	SOLNIHCIAWZQOF-UHFFFAOYSA-N
DG55967	1-Cyclohexyl-2-(cyclohexylimino)-3-phenyl-5-(phenylimino)-4-imidazolidinethione	383289	"NSC671402; CHEMBL1971025; NSC-671402; 1-Cyclohexyl-2-(cyclohexylimino)-3-phenyl-5-(phenylimino)-4-imidazolidinethione; NCI60_025254; (2E,5E)-1-cyclohexyl-2-cyclohexylimino-3-phenyl-5-phenylimino-imidazolidine-4-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671402	.	.	.	.	444.6	C27H32N4S	63.3	692	7.2	32	0	3	4	"InChI=1S/C27H32N4S/c32-26-25(28-21-13-5-1-6-14-21)30(23-17-9-3-10-18-23)27(29-22-15-7-2-8-16-22)31(26)24-19-11-4-12-20-24/h1,4-6,11-14,19-20,22-23H,2-3,7-10,15-18H2"	C1CCC(CC1)N=C2N(C(=NC3=CC=CC=C3)C(=S)N2C4=CC=CC=C4)C5CCCCC5	MNMLCBGBFTUNHW-UHFFFAOYSA-N
DG55968	"(4E,5Z)-4,5-bis[(4-methoxyphenyl)imino]-1-[(3-methyl-1,3-benzothiazol-2-ylidene)methyleneamino]-3-phenyl-imidazolidine-2-thione"	383299	"NSC671412; CHEMBL2006688; ZINC73354867; ZINC104311783; ZINC104311788; ZINC104311794; NSC-671412; NCI60_025264; (4E,5Z)-4,5-bis[(4-methoxyphenyl)imino]-1-[(3-methyl-1,3-benzothiazol-2-ylidene)methyleneamino]-3-phenyl-imidazolidine-2-thione; 2-Imidazolidinethione, 4,5-bis[(4-methoxyphenyl)imino]-1-[[(3-methyl-2(3H)-benzothiazolylidene)methylene]amino]-3-phenyl-, (4E,5Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671412	.	.	.	.	590.7	C32H26N6O2S2	123	1080	8	42	0	8	6	"InChI=1S/C32H26N6O2S2/c1-36-27-11-7-8-12-28(27)42-29(36)21-33-38-31(35-23-15-19-26(40-3)20-16-23)30(34-22-13-17-25(39-2)18-14-22)37(32(38)41)24-9-5-4-6-10-24/h4-20H,1-3H3"	CN1C2=CC=CC=C2SC1=C=NN3C(=NC4=CC=C(C=C4)OC)C(=NC5=CC=C(C=C5)OC)N(C3=S)C6=CC=CC=C6	LDXDMBVFSOGIIJ-UHFFFAOYSA-N
DG55969	"4,5-Bis(phenylimino)-1,3-dithiolan-2-one phenylhydrazone"	383300	"NSC671413; NSC-671413; 4,5-Bis(phenylimino)-1,3-dithiolan-2-one phenylhydrazone; CHEMBL1288283; ZINC8399265; ZINC103711085; ZINC103711089; ZINC252629246; MCULE-2283420384; NCI60_025265; AN-689/41741243; N-[[(4Z,5Z)-4,5-bis(phenylimino)-1,3-dithiolan-2-ylidene]amino]aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671413	.	.	.	.	388.5	C21H16N4S2	99.7	531	7.2	27	1	6	4	"InChI=1S/C21H16N4S2/c1-4-10-16(11-5-1)22-19-20(23-17-12-6-2-7-13-17)27-21(26-19)25-24-18-14-8-3-9-15-18/h1-15,24H"	C1=CC=C(C=C1)NN=C2SC(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)S2	UCCZGUNZUWTDPB-UHFFFAOYSA-N
DG55970	"4,5-Bis((4-methylphenyl)imino)-1,3-dithiolan-2-one dimethylhydrazone"	383301	"NSC671414; CHEMBL1985389; 4,5-Bis((4-methylphenyl)imino)-1,3-dithiolan-2-one dimethylhydrazone; NSC-671414; NCI60_025266; N-[[(4Z,5Z)-4,5-bis(p-tolylimino)-1,3-dithiolan-2-ylidene]amino]-N-methyl-methanamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671414	.	.	.	.	368.5	C19H20N4S2	90.9	498	6.5	25	0	6	3	"InChI=1S/C19H20N4S2/c1-13-5-9-15(10-6-13)20-17-18(25-19(24-17)22-23(3)4)21-16-11-7-14(2)8-12-16/h5-12H,1-4H3"	CC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)C)SC(=NN(C)C)S2	XXBWNVLVZRXTRA-UHFFFAOYSA-N
DG55971	"4,5-Bis(phenylimino)-1,3-dithiolan-2-one (4-(dimethylamino)phenyl)hydrazone"	383302	"NSC671415; NSC-671415; CHEMBL1287868; ZINC1644376; 4,5-Bis(phenylimino)-1,3-dithiolan-2-one (4-(dimethylamino)phenyl)hydrazone; ZINC104311804; ZINC104311810; NCI60_025267; N4-[[(4Z,5Z)-4,5-bis(phenylimino)-1,3-dithiolan-2-ylidene]amino]-N1,N1-dimethyl-benzene-1,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671415	.	.	.	.	431.6	C23H21N5S2	103	602	7.3	30	1	7	5	"InChI=1S/C23H21N5S2/c1-28(2)20-15-13-19(14-16-20)26-27-23-29-21(24-17-9-5-3-6-10-17)22(30-23)25-18-11-7-4-8-12-18/h3-16,26H,1-2H3"	CN(C)C1=CC=C(C=C1)NN=C2SC(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)S2	FJWOBPMTNRHOOZ-UHFFFAOYSA-N
DG55972	"N-(3-(Phenylimino)-1,4-benzodithiin-2(3H)-ylidene)aniline"	383308	"NSC671421; CHEMBL2004177; SCHEMBL22860729; N-(3-(Phenylimino)-1,4-benzodithiin-2(3H)-ylidene)aniline; N-phenyl-N-(3-(phenylimino)-1,4-benzodithiin-2(3H)-ylidene)amine; ZINC17255860; ZINC102965956; ZINC104311838; ZINC252668763; NSC-671421; NCI60_025269; N2,N3-diphenyl-1,4-benzodithiine-2,3-diimine; AN-689/41741358"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671421	.	.	.	.	346.5	C20H14N2S2	75.3	432	6.4	24	0	4	2	InChI=1S/C20H14N2S2/c1-3-9-15(10-4-1)21-19-20(22-16-11-5-2-6-12-16)24-18-14-8-7-13-17(18)23-19/h1-14H	C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)SC4=CC=CC=C4S2	FMVHAGUFSUOTQL-UHFFFAOYSA-N
DG55973	"Ethyl 4-((3-(4-(ethoxycarbonyl)anilino)-2H-1,4-benzothiazin-2-ylidene)amino)benzoate"	383310	"NSC671423; Ethyl 4-((3-(4-(ethoxycarbonyl)anilino)-2H-1,4-benzothiazin-2-ylidene)amino)benzoate; CHEMBL1998888; ZINC16958724; ZINC104311855; NSC-671423; NCI60_025271; N,N'-Bis[4-(ethoxycarbonyl)phenyl]-2H-1,4-benzothiazine-2,3(4H)-diimine; Benzoic acid, 4,4'-(2H-1,4-benzothiazine-2,3(4H)-diylidenedinitrilo)bis-, diethyl ester; ethyl 4-[[(2Z)-2-(4-ethoxycarbonylphenyl)imino-1,4-benzothiazin-3-yl]amino]benzoate; ethyl 4-[(Z)-[(2Z)-2-(4-ethoxycarbonylphenyl)imino-4H-1,4-benzothiazin-3-ylidene]amino]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671423	.	.	.	.	473.5	C26H23N3O4S	115	770	5.5	34	1	7	9	"InChI=1S/C26H23N3O4S/c1-3-32-25(30)17-9-13-19(14-10-17)27-23-24(34-22-8-6-5-7-21(22)29-23)28-20-15-11-18(12-16-20)26(31)33-4-2/h5-16H,3-4H2,1-2H3,(H,27,29)"	CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3SC2=NC4=CC=C(C=C4)C(=O)OCC	PDRBKBDXNLQMAH-UHFFFAOYSA-N
DG55974	"2,4(1H,3H)-Pteridinedione, 1,3-dimethyl-6,7-bis[(4-methylphenyl)amino]-"	383314	"NSC671427; 2,4(1H,3H)-Pteridinedione, 1,3-dimethyl-6,7-bis[(4-methylphenyl)amino]-; CHEMBL2005044; 1,3-dimethyl-6,7-bis(4-methylanilino)pteridine-2,4-dione; NSC-671427; NCI60_025275"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671427	.	.	.	.	402.4	C22H22N6O2	90.5	629	3.8	30	2	6	4	"InChI=1S/C22H22N6O2/c1-13-5-9-15(10-6-13)23-18-19(24-16-11-7-14(2)8-12-16)26-20-17(25-18)21(29)28(4)22(30)27(20)3/h5-12H,1-4H3,(H,23,25)(H,24,26)"	CC1=CC=C(C=C1)NC2=NC3=C(N=C2NC4=CC=C(C=C4)C)N(C(=O)N(C3=O)C)C	LEHMIKFHPANMQX-UHFFFAOYSA-N
DG55975	"Bis(2,4-dibromo-6-(phenoxycarbonyl)phenyl) oxalate"	383326	"NSC671435; Bis(2,4-dibromo-6-(phenoxycarbonyl)phenyl) oxalate; CHEMBL1985534; ZINC95551258; NSC-671435; NCI60_025283; bis(2,4-dibromo-6-phenoxycarbonyl-phenyl) oxalate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671435	.	.	.	.	798	C28H14Br4O8	105	835	9.1	40	0	8	11	InChI=1S/C28H14Br4O8/c29-15-11-19(25(33)37-17-7-3-1-4-8-17)23(21(31)13-15)39-27(35)28(36)40-24-20(12-16(30)14-22(24)32)26(34)38-18-9-5-2-6-10-18/h1-14H	C1=CC=C(C=C1)OC(=O)C2=C(C(=CC(=C2)Br)Br)OC(=O)C(=O)OC3=C(C=C(C=C3Br)Br)C(=O)OC4=CC=CC=C4	NGSQQXLEYROKEJ-UHFFFAOYSA-N
DG55976	"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-7-fluoro-1-methyl-4-oxo-1,4-dihydroquinoline"	383328	"NSC671438; 3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-7-fluoro-1-methyl-4-oxo-1,4-dihydroquinoline; CHEMBL2002574; NSC-671438; NCI60_025285; 1-(4-chlorophenyl)-3-[(7-fluoro-1-methyl-4-oxo-3-quinolyl)sulfonyl]urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671438	.	.	.	.	409.8	C17H13ClFN3O4S	104	731	3.9	27	2	6	3	"InChI=1S/C17H13ClFN3O4S/c1-22-9-15(16(23)13-7-4-11(19)8-14(13)22)27(25,26)21-17(24)20-12-5-2-10(18)3-6-12/h2-9H,1H3,(H2,20,21,24)"	CN1C=C(C(=O)C2=C1C=C(C=C2)F)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl	HDDISMZPKLCTGB-UHFFFAOYSA-N
DG55977	3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-4-oxo-2-phenyl-4H-chromene	383329	NSC671439; 3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-4-oxo-2-phenyl-4H-chromene; CHEMBL1998972; NSC-671439; NCI60_025286; 1-(4-chlorophenyl)-3-(4-oxo-2-phenyl-chromen-3-yl)sulfonyl-urea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671439	.	.	.	.	454.9	C22H15ClN2O5S	110	823	5.3	31	2	5	4	"InChI=1S/C22H15ClN2O5S/c23-15-10-12-16(13-11-15)24-22(27)25-31(28,29)21-19(26)17-8-4-5-9-18(17)30-20(21)14-6-2-1-3-7-14/h1-13H,(H2,24,25,27)"	C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)S(=O)(=O)NC(=O)NC4=CC=C(C=C4)Cl	OYZZTVVOUDYJOP-UHFFFAOYSA-N
DG55978	2-[[1-[6-[3-[[Bis(carboxymethyl)amino]methyl]pyrazol-1-yl]-2-pyridyl]pyrazol-3-yl]methyl-(carboxymethyl)amino]acetic acid	383330	"NSC671445; CHEMBL1990969; NSC-671445; NCI60_025287; 2,6-bis{3-[N,N-bis(carboxymethyl)aminomethyl] pyrazol-1-yl}pyridine; [2,6-Pyridinediylbis[(1H-pyrazole-1,3-diyl)methylenenitrilo]]tetrakisacetic acid; {[1-(6-{3-[(Bis-carboxymethyl-amino)-methyl]-pyrazol-1-yl}-pyridin-2-yl)-1H-pyrazol-3-ylmethyl]-carboxymethyl-amino}-acetic acid; 2-[[1-[6-[3-[[bis(carboxymethyl)amino]methyl]pyrazol-1-yl]-2-pyridyl]pyrazol-3-yl]methyl-(carboxymethyl)amino]acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671445	.	.	.	.	501.4	C21H23N7O8	204	708	-5	36	4	13	14	"InChI=1S/C21H23N7O8/c29-18(30)10-25(11-19(31)32)8-14-4-6-27(23-14)16-2-1-3-17(22-16)28-7-5-15(24-28)9-26(12-20(33)34)13-21(35)36/h1-7H,8-13H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)"	C1=CC(=NC(=C1)N2C=CC(=N2)CN(CC(=O)O)CC(=O)O)N3C=CC(=N3)CN(CC(=O)O)CC(=O)O	YNIGELUCPUDHFO-UHFFFAOYSA-N
DG55979	3-(4-Fluorophenyl)-3-(4-acetoxy-2-methylphenyl)phthalide	383342	"NSC671456; 148238-46-4; 3-(4-Fluorophenyl)-3-(4-acetoxy-2-methylphenyl)phthalide; 4-(1-(4-Fluorophenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-3-methylphenyl acetate; NSC 671456; NCIChal_000022; CHEMBL1997729; NSC-671456; NCI60_025296; [4-[1-(4-fluorophenyl)-3-oxo-isobenzofuran-1-yl]-3-methyl-phenyl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671456	.	.	.	.	376.4	C23H17FO4	52.6	599	4.7	28	0	5	4	"InChI=1S/C23H17FO4/c1-14-13-18(27-15(2)25)11-12-20(14)23(16-7-9-17(24)10-8-16)21-6-4-3-5-19(21)22(26)28-23/h3-13H,1-2H3"	CC1=C(C=CC(=C1)OC(=O)C)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)F	ARWYVQDENBNRMX-UHFFFAOYSA-N
DG55980	"benzyl N-[5-(1,3-dioxoisoindolin-2-yl)-1-diphenoxyphosphoryl-pentyl]carbamate"	383343	"NSC671457; CHEMBL1984746; SCHEMBL12088090; NSC-671457; Diphenyl 1-(((benzyloxy)carbonyl)amino)-5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentylphosphonate; NCI60_025297; 1-(Benzyloxycarbonylamino)-5-phthalimidylpentylphosphonic acid diphenyl ester; benzyl N-[5-(1,3-dioxoisoindolin-2-yl)-1-diphenoxyphosphoryl-pentyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671457	.	.	.	.	598.6	C33H31N2O7P	111	926	6.2	43	1	7	14	"InChI=1S/C33H31N2O7P/c36-31-28-20-10-11-21-29(28)32(37)35(31)23-13-12-22-30(34-33(38)40-24-25-14-4-1-5-15-25)43(39,41-26-16-6-2-7-17-26)42-27-18-8-3-9-19-27/h1-11,14-21,30H,12-13,22-24H2,(H,34,38)"	C1=CC=C(C=C1)COC(=O)NC(CCCCN2C(=O)C3=CC=CC=C3C2=O)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5	CNJOZTYNWQXMFA-UHFFFAOYSA-N
DG55981	"2-(3,4-Dichlorophenyl)-2-vinyl-1,3-dioxolane"	383348	"NSC671462; 2-(3,4-Dichlorophenyl)-2-vinyl-1,3-dioxolane; CHEMBL1998971; ZINC1644408; NSC-671462; NCI60_025302"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671462	.	.	.	.	245.1	C11H10Cl2O2	18.5	239	3.2	15	0	2	2	"InChI=1S/C11H10Cl2O2/c1-2-11(14-5-6-15-11)8-3-4-9(12)10(13)7-8/h2-4,7H,1,5-6H2"	C=CC1(OCCO1)C2=CC(=C(C=C2)Cl)Cl	LMLKYRJABOHMER-UHFFFAOYSA-N
DG55982	"4-Ethyl-2-(2-naphthyl)-2-vinyl-1,3-dioxolane"	383349	"NSC671463; 4-Ethyl-2-(2-naphthyl)-2-vinyl-1,3-dioxolane; CHEMBL1981861; NSC-671463; NCI60_025303"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671463	.	.	.	.	254.32	C17H18O2	18.5	327	4.2	19	0	2	3	"InChI=1S/C17H18O2/c1-3-16-12-18-17(4-2,19-16)15-10-9-13-7-5-6-8-14(13)11-15/h4-11,16H,2-3,12H2,1H3"	CCC1COC(O1)(C=C)C2=CC3=CC=CC=C3C=C2	TYNMRKHQEUSCGK-UHFFFAOYSA-N
DG55983	"6-Ethyl-2-(methylthio)-4-phenyl-5-thioxo-5,6-dihydro[1,3]thiazolo[5,4-d]pyrimidin-7(4H)-one"	383353	"NSC671467; 6-Ethyl-2-(methylthio)-4-phenyl-5-thioxo-5,6-dihydro[1,3]thiazolo[5,4-d]pyrimidin-7(4H)-one; CHEMBL1971111; ZINC1644416; NSC-671467; NCI60_025307; 6-ethyl-2-methylsulfanyl-4-phenyl-5-thioxo-thiazolo[5,4-d]pyrimidin-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671467	.	.	.	.	335.5	C14H13N3OS3	122	428	3.9	21	0	5	3	"InChI=1S/C14H13N3OS3/c1-3-16-11(18)10-12(21-13(15-10)20-2)17(14(16)19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3"	CCN1C(=O)C2=C(N(C1=S)C3=CC=CC=C3)SC(=N2)SC	HZFYBHISWNNBOE-UHFFFAOYSA-N
DG55984	"Ethyl (2-(methylthio)-7-oxo-4-phenyl-5-thioxo-4,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-6(5H)-yl)acetate"	383355	"NSC671469; CHEMBL1966721; ZINC1644418; NSC-671469; Ethyl (2-(methylthio)-7-oxo-4-phenyl-5-thioxo-4,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-6(5H)-yl)acetate; NCI60_025309; ethyl 2-(2-methylsulfanyl-7-oxo-4-phenyl-5-thioxo-thiazolo[5,4-d]pyrimidin-6-yl)acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671469	.	.	.	.	393.5	C16H15N3O3S3	148	542	3.8	25	0	7	6	"InChI=1S/C16H15N3O3S3/c1-3-22-11(20)9-18-13(21)12-14(25-15(17-12)24-2)19(16(18)23)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3"	CCOC(=O)CN1C(=O)C2=C(N(C1=S)C3=CC=CC=C3)SC(=N2)SC	ZIDIQXCACUULJL-UHFFFAOYSA-N
DG55985	"Ethyl (4-ethyl-2-(methylthio)-7-oxo-5-thioxo-4,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-6(5H)-yl)acetate"	383358	"NSC671472; CHEMBL1989611; NSC-671472; Ethyl (4-ethyl-2-(methylthio)-7-oxo-5-thioxo-4,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-6(5H)-yl)acetate; NCI60_025312; ethyl 2-(4-ethyl-2-methylsulfanyl-7-oxo-5-thioxo-thiazolo[5,4-d]pyrimidin-6-yl)acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671472	.	.	.	.	345.5	C12H15N3O3S3	148	449	2.6	21	0	7	6	"InChI=1S/C12H15N3O3S3/c1-4-14-10-8(13-11(20-3)21-10)9(17)15(12(14)19)6-7(16)18-5-2/h4-6H2,1-3H3"	CCN1C2=C(C(=O)N(C1=S)CC(=O)OCC)N=C(S2)SC	NNPFGWNJYLQTIS-UHFFFAOYSA-N
DG55986	"6-Ethyl-4-(4-methylphenyl)-2-(methylthio)[1,3]thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione"	383359	"NSC671473; 6-Ethyl-4-(4-methylphenyl)-2-(methylthio)[1,3]thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione; CHEMBL2004121; ZINC1644422; NSC-671473; NCI60_025313; 6-ethyl-2-methylsulfanyl-4-(p-tolyl)thiazolo[5,4-d]pyrimidine-5,7-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671473	.	.	.	.	333.4	C15H15N3O2S2	107	454	3.6	22	0	5	3	"InChI=1S/C15H15N3O2S2/c1-4-17-12(19)11-13(22-14(16-11)21-3)18(15(17)20)10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3"	CCN1C(=O)C2=C(N(C1=O)C3=CC=C(C=C3)C)SC(=N2)SC	RDYYVTMSUQIPFK-UHFFFAOYSA-N
DG55987	"3-(Naphthalen-1-ylmethyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide"	383370	NSC671534; SCHEMBL708526; CHEMBL2006116; ZINC1644430; NSC-671534; NCI60_025324	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671534	.	.	.	.	342.4	C14H14O6S2	104	550	2.2	22	0	6	2	"InChI=1S/C14H14O6S2/c15-21(16)14(22(17,18)20-9-8-19-21)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14H,8-10H2"	C1COS(=O)(=O)C(S(=O)(=O)O1)CC2=CC=CC3=CC=CC=C32	SZWOQRXRMVSHAU-UHFFFAOYSA-N
DG55988	"N~1~-(6-Chloro-2-methoxy-9-acridinyl)-N~3~,N~3~-bis(3,4,5-trimethoxybenzyl)-1,3-propanediamine"	383383	"NSC671554; CHEMBL1980722; ZINC82170355; NSC-671554; NCI60_025338; N-(6-chloro-2-methoxy-acridin-9-yl)-N',N'-bis[(3,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine; N~1~-(6-Chloro-2-methoxy-9-acridinyl)-N~3~,N~3~-bis(3,4,5-trimethoxybenzyl)-1,3-propanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671554	.	.	.	.	676.2	C37H42ClN3O7	92.8	873	7.3	48	1	10	16	"InChI=1S/C37H42ClN3O7/c1-42-26-10-12-29-28(20-26)35(27-11-9-25(38)19-30(27)40-29)39-13-8-14-41(21-23-15-31(43-2)36(47-6)32(16-23)44-3)22-24-17-33(45-4)37(48-7)34(18-24)46-5/h9-12,15-20H,8,13-14,21-22H2,1-7H3,(H,39,40)"	COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN(CC4=CC(=C(C(=C4)OC)OC)OC)CC5=CC(=C(C(=C5)OC)OC)OC	QWYQSFYCOBJJAM-UHFFFAOYSA-N
DG55989	"N-acridin-9-yl-2,3-dimethoxybenzamide"	383385	NSC671556; CHEMBL1991204; NSC-671556; NCI60_025340	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671556	.	.	.	.	358.4	C22H18N2O3	60.4	492	4.3	27	1	4	4	"InChI=1S/C22H18N2O3/c1-26-19-13-7-10-16(21(19)27-2)22(25)24-20-14-8-3-5-11-17(14)23-18-12-6-4-9-15(18)20/h3-13H,1-2H3,(H,23,24,25)"	COC1=CC=CC(=C1OC)C(=O)NC2=C3C=CC=CC3=NC4=CC=CC=C42	IWITURRCIJODSI-UHFFFAOYSA-N
DG55990	"N-(3,4,5-trimethoxybenzyl)acridin-9-amine"	383386	"NSC671557; N-(3,4,5-trimethoxybenzyl)acridin-9-amine; SCHEMBL1865096; CHEMBL1968266; NSC-671557; NCI60_025341"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671557	.	.	.	.	374.4	C23H22N2O3	52.6	455	4.9	28	1	5	6	"InChI=1S/C23H22N2O3/c1-26-20-12-15(13-21(27-2)23(20)28-3)14-24-22-16-8-4-6-10-18(16)25-19-11-7-5-9-17(19)22/h4-13H,14H2,1-3H3,(H,24,25)"	COC1=CC(=CC(=C1OC)OC)CNC2=C3C=CC=CC3=NC4=CC=CC=C42	LHMZYYJPJUUPSG-UHFFFAOYSA-N
DG55991	"1,2,3-Trimethoxy-5-[(4-methoxyphenyl)sulfinylmethyl]benzene"	383388	NSC671559; CHEMBL2004846; NSC-671559; NCI60_025343	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671559	.	.	.	.	336.4	C17H20O5S	73.2	356	2.5	23	0	6	7	"InChI=1S/C17H20O5S/c1-19-13-5-7-14(8-6-13)23(18)11-12-9-15(20-2)17(22-4)16(10-12)21-3/h5-10H,11H2,1-4H3"	COC1=CC=C(C=C1)S(=O)CC2=CC(=C(C(=C2)OC)OC)OC	OJNPZDZABXDOEE-UHFFFAOYSA-N
DG55992	"Methyl 2,3,4,6-tetra-O-galloyl-beta-D-glucopyranoside"	383389	"NSC671560; CHEMBL2004962; NSC-671560; NCI60_025344; Methyl 2,3,4,6-tetra-O-galloyl-b-D-glucopyranoside; Methyl 2,3,4,6-tetra-O-galloyl-beta-D-glucopyranoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671560	.	.	.	.	802.6	C35H30O22	366	1350	2.1	57	12	22	14	"InChI=1S/C35H30O22/c1-52-35-30(57-34(51)14-8-21(42)27(47)22(43)9-14)29(56-33(50)13-6-19(40)26(46)20(41)7-13)28(55-32(49)12-4-17(38)25(45)18(39)5-12)23(54-35)10-53-31(48)11-2-15(36)24(44)16(37)3-11/h2-9,23,28-30,35-47H,10H2,1H3"	COC1C(C(C(C(O1)COC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O	KNGUIYKUPNUFQT-UHFFFAOYSA-N
DG55993	"Spiro[cyclohexane-1,2'-[2H]indene]-1',3',4-trione, 2,6-diphenyl-, (2R,6R)-"	383407	"NSC671637; CHEMBL1977261; NSC-671637; Spiro[cyclohexane-1,2'-[2H]indene]-1',3',4-trione, 2,6-diphenyl-, (2R,6R)-; NCI60_025353; (3R,5R)-3,5-diphenylspiro[cyclohexane-4,2'-indane]-1,1',3'-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671637	.	.	.	.	380.4	C26H20O3	51.2	611	4.2	29	0	3	2	"InChI=1S/C26H20O3/c27-19-15-22(17-9-3-1-4-10-17)26(23(16-19)18-11-5-2-6-12-18)24(28)20-13-7-8-14-21(20)25(26)29/h1-14,22-23H,15-16H2/t22-,23-/m1/s1"	C1[C@@H](C2([C@H](CC1=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)C5=CC=CC=C5	JCRKSTFTQQLWFT-DHIUTWEWSA-N
DG55994	"2-Methyl-3-(2-(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)ethyl)-1(2H)-isoquinolinone"	383411	"NSC671641; 2-Methyl-3-(2-(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)ethyl)-1(2H)-isoquinolinone; CHEMBL1969357; NSC-671641; NCI60_025357; 2-methyl-3-[2-(3-methyl-1-oxo-isochroman-3-yl)ethyl]isoquinolin-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671641	.	.	.	.	347.4	C22H21NO3	46.6	613	4	26	0	3	3	"InChI=1S/C22H21NO3/c1-22(14-16-8-4-6-10-19(16)21(25)26-22)12-11-17-13-15-7-3-5-9-18(15)20(24)23(17)2/h3-10,13H,11-12,14H2,1-2H3"	CC1(CC2=CC=CC=C2C(=O)O1)CCC3=CC4=CC=CC=C4C(=O)N3C	LSQMMMZICIWTQW-UHFFFAOYSA-N
DG55995	"Acetic acid [2,3,5,8-tetrahydro-5,8-dioxo-6-(aziridin-1-yl)-1H-pyrrolo[1,2-a]benzimidazol]-3-yl ester"	383412	"NSC671660; CHEMBL137429; NSC-671660; NCI60_025358; Acetic acid [2,3,5,8-tetrahydro-5,8-dioxo-6-(aziridin-1-yl)-1H-pyrrolo[1,2-a]benzimidazol]-3-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671660	.	.	.	.	287.27	C14H13N3O4	81.3	569	0.1	21	0	6	3	"InChI=1S/C14H13N3O4/c1-7(18)21-10-2-3-17-12-9(19)6-8(16-4-5-16)13(20)11(12)15-14(10)17/h6,10H,2-5H2,1H3"	CC(=O)OC1CCN2C1=NC3=C2C(=O)C=C(C3=O)N4CC4	IKYRZJWIDHPKIN-UHFFFAOYSA-N
DG55996	"17-Butyl-3-(2-pyrrolizinoethoxy)-17-aza-D-homoestra-1,3,5(10)-triene-16,17a-dione"	383426	"NSC671765; CHEMBL1970222; NSC-671765; NCI60_025370; 17-Butyl-3-(2-pyrrolizinoethoxy)-17-aza-D-homoestra-1,3,5(10)-triene-16,17a-dione; 3-[2-pyrrolidino] ethoxy-17-butyl-17-aza-1,5(10)-estratriene-16,17.alpha.-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671765	.	.	.	.	452.6	C28H40N2O3	49.8	720	4.8	33	0	4	7	"InChI=1S/C28H40N2O3/c1-3-4-15-30-26(31)19-25-24-9-7-20-18-21(33-17-16-29-13-5-6-14-29)8-10-22(20)23(24)11-12-28(25,2)27(30)32/h8,10,18,23-25H,3-7,9,11-17,19H2,1-2H3/t23-,24-,25+,28+/m1/s1"	CCCCN1C(=O)C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2(C1=O)C)C=CC(=C4)OCCN5CCCC5	JEACMQIPSAMFPH-BCCVMWATSA-N
DG55997	"[3,4,5-Triacetoxy-6-[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate"	383439	"NSC671806; CHEMBL2001001; NSC-671806; NCI60_025374; [3,4,5-triacetoxy-6-[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate; 3-Pyridinecarbonitrile, 6-(4-chlorophenyl)-1,2-dihydro-4-phenyl-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-2-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671806	.	.	.	.	653.1	C32H29ClN2O9S	174	1290	4	45	0	11	12	"InChI=1S/C32H29ClN2O9S/c1-17(36)40-16-27-28(41-18(2)37)29(42-19(3)38)30(43-20(4)39)31(44-27)35-26(22-10-12-23(33)13-11-22)14-24(25(15-34)32(35)45)21-8-6-5-7-9-21/h5-14,27-31H,16H2,1-4H3"	CC(=O)OCC1C(C(C(C(O1)N2C(=CC(=C(C2=S)C#N)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)OC(=O)C)OC(=O)C)OC(=O)C	GZINHFZSDFCXSU-UHFFFAOYSA-N
DG55998	"[3,4,5-Triacetoxy-6-[3-cyano-4-(2-furyl)-6-(4-methoxyphenyl)-2-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate"	383442	"NSC671809; CHEMBL1974908; NSC-671809; NCI60_025377; [3,4,5-triacetoxy-6-[3-cyano-4-(2-furyl)-6-(4-methoxyphenyl)-2-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate; Acetic acid 4,5-diacetoxy-6-acetoxymethyl-2-[3-cyano-4-furan-2-yl-6-(4-methoxy-phenyl)-2-thioxo-2H-pyridin-1-yl]-tetrahydro-pyran-3-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671809	.	.	.	.	638.6	C31H30N2O11S	196	1300	2.4	45	0	13	13	"InChI=1S/C31H30N2O11S/c1-16(34)40-15-26-27(41-17(2)35)28(42-18(3)36)29(43-19(4)37)30(44-26)33-24(20-8-10-21(38-5)11-9-20)13-22(23(14-32)31(33)45)25-7-6-12-39-25/h6-13,26-30H,15H2,1-5H3"	CC(=O)OCC1C(C(C(C(O1)N2C(=CC(=C(C2=S)C#N)C3=CC=CO3)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C	YCUYRFFOVXZVCZ-UHFFFAOYSA-N
DG55999	"[4,5-Diacetoxy-6-[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-thioxo-1-pyridyl]tetrahydropyran-3-yl] acetate"	383446	"NSC671813; CHEMBL1977627; ZINC06004550; NSC-671813; NCI60_025381; [4,5-diacetoxy-6-[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-thioxo-1-pyridyl]tetrahydropyran-3-yl] acetate; 3-Pyridinecarbonitrile, 6-(4-chlorophenyl)-1,2-dihydro-4-phenyl-2-thioxo-1-(2,3,4-tri-O-acetylpentopyranosyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671813	.	.	.	.	581	C29H25ClN2O7S	147	1130	4	40	0	9	9	"InChI=1S/C29H25ClN2O7S/c1-16(33)37-25-15-36-28(27(39-18(3)35)26(25)38-17(2)34)32-24(20-9-11-21(30)12-10-20)13-22(23(14-31)29(32)40)19-7-5-4-6-8-19/h4-13,25-28H,15H2,1-3H3"	CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C(=CC(=C(C2=S)C#N)C3=CC=CC=C3)C4=CC=C(C=C4)Cl	ZPUNMVFZRCOWAV-UHFFFAOYSA-N
DG56000	"3-Pyridinecarbonitrile, 1,2-dihydro-1-pentopyranosyl-4,6-diphenyl-2-thioxo-"	383448	"NSC671816; CHEMBL1983805; 3-Pyridinecarbonitrile, 1,2-dihydro-1-pentopyranosyl-4,6-diphenyl-2-thioxo-; NSC-671816; NCI60_025384; 4,6-diphenyl-2-thioxo-1-(3,4,5-trihydroxytetrahydropyran-2-yl)pyridine-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671816	.	.	.	.	420.5	C23H20N2O4S	129	773	1.7	30	3	6	3	"InChI=1S/C23H20N2O4S/c24-12-17-16(14-7-3-1-4-8-14)11-18(15-9-5-2-6-10-15)25(23(17)30)22-21(28)20(27)19(26)13-29-22/h1-11,19-22,26-28H,13H2"	C1C(C(C(C(O1)N2C(=CC(=C(C2=S)C#N)C3=CC=CC=C3)C4=CC=CC=C4)O)O)O	SVLDXWDIWOKSIW-UHFFFAOYSA-N
DG56001	NSC671819	383450	"4-Furan-2-yl-6-(4-methoxy-phenyl)-2-thioxo-1-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-1,2-dihydro-pyridine-3-carbonitrile; NSC671819; 4-Furan-2-yl-6-(4-methoxy-phenyl)-2-thioxo-1-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-1,2-dihydro-pyridine-3-carbonitrile; CHEMBL1998317; NSC-671819; NCI60_025387; 4-(2-furyl)-6-(4-methoxyphenyl)-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671819	.	.	.	.	470.5	C23H22N2O7S	172	860	0.7	33	4	9	5	"InChI=1S/C23H22N2O7S/c1-30-13-6-4-12(5-7-13)16-9-14(17-3-2-8-31-17)15(10-24)23(33)25(16)22-21(29)20(28)19(27)18(11-26)32-22/h2-9,18-22,26-29H,11H2,1H3"	COC1=CC=C(C=C1)C2=CC(=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=CO4	IDRZCZXJTPPTFE-UHFFFAOYSA-N
DG56002	NSC671820	383451	"6-(4-Chlorophenyl)-4-(4-methoxyphenyl)-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile; NSC671820; CHEMBL1986068; NSC-671820; NCI60_025388; 3-Pyridinecarbonitrile, 6-(4-chlorophenyl)-1-hexopyranosyl-1,2-dihydro-4-(4-methoxyphenyl)-2-thioxo-; 6-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671820	.	.	.	.	515	C25H23ClN2O6S	159	903	2.2	35	4	8	5	"InChI=1S/C25H23ClN2O6S/c1-33-16-8-4-13(5-9-16)17-10-19(14-2-6-15(26)7-3-14)28(25(35)18(17)11-27)24-23(32)22(31)21(30)20(12-29)34-24/h2-10,20-24,29-32H,12H2,1H3"	COC1=CC=C(C=C1)C2=C(C(=S)N(C(=C2)C3=CC=C(C=C3)Cl)C4C(C(C(C(O4)CO)O)O)O)C#N	NWKUBOXKROYTGF-UHFFFAOYSA-N
DG56003	4-chloro-N-(1-pyridin-4-ylethyl)aniline	383452	NSC671838; 4-chloro-N-(1-pyridin-4-ylethyl)aniline; SCHEMBL8038878; CHEMBL1991318; AKOS000235426; NSC-671838; 4-chloro-N-[1-(4-pyridyl)ethyl]aniline; NCI60_025389; N-[1-(4-Pyridinyl)ethyl]-4-chloroaniline; 1-(4-Chloroanilino)-1-(ethyl)-4-pyridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671838	.	.	.	.	232.71	C13H13ClN2	24.9	196	3.4	16	1	2	3	"InChI=1S/C13H13ClN2/c1-10(11-6-8-15-9-7-11)16-13-4-2-12(14)3-5-13/h2-10,16H,1H3"	CC(C1=CC=NC=C1)NC2=CC=C(C=C2)Cl	GNIUMVWWCXFKNZ-UHFFFAOYSA-N
DG56004	"3,4-dichloro-N-[1-(4-pyridyl)ethyl]aniline"	383454	"NSC671840; 1-(3,4-dichloroanilino)-1-(ethyl)-4-pyridine; CHEMBL1987804; AKOS000237609; NSC-671840; NCI60_025391; 3,4-dichloro-N-[1-(4-pyridyl)ethyl]aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671840	.	.	.	.	267.15	C13H12Cl2N2	24.9	232	4	17	1	2	3	"InChI=1S/C13H12Cl2N2/c1-9(10-4-6-16-7-5-10)17-11-2-3-12(14)13(15)8-11/h2-9,17H,1H3"	CC(C1=CC=NC=C1)NC2=CC(=C(C=C2)Cl)Cl	DASPUAXJMCSULV-UHFFFAOYSA-N
DG56005	4-methoxy-N-[1-(4-pyridyl)ethyl]aniline	383456	NSC671842; 1-(4-Methoxyanilino)-1-(ethyl)-4-pyridine; CHEMBL2003057; AKOS000241462; NSC-671842; NCI60_025393; 4-methoxy-N-[1-(4-pyridyl)ethyl]aniline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671842	.	.	.	.	228.29	C14H16N2O	34.2	208	2.7	17	1	3	4	"InChI=1S/C14H16N2O/c1-11(12-7-9-15-10-8-12)16-13-3-5-14(17-2)6-4-13/h3-11,16H,1-2H3"	CC(C1=CC=NC=C1)NC2=CC=C(C=C2)OC	XXHLFPSJCRQXCP-UHFFFAOYSA-N
DG56006	4-Chloro-N-[1-(4-pyridyl)ethylidene]aniline	383457	NSC671843; 74288-90-7; CHEMBL1977552; DTXSID20327625; NSC-671843; NCI60_025394; N-(4-chlorophenyl)-1-(4-pyridyl)ethanimine; 4-Chloro-N-[1-(4-pyridyl)ethylidene]aniline; 4-Chloro-N-(1-(4-pyridinyl)ethylidene)aniline; N-(4-Chlorophenyl)-N-(1-(4-pyridinyl)ethylidene)amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671843	.	.	.	.	230.69	C13H11ClN2	25.2	238	3	16	0	2	2	"InChI=1S/C13H11ClN2/c1-10(11-6-8-15-9-7-11)16-13-4-2-12(14)3-5-13/h2-9H,1H3"	CC(=NC1=CC=C(C=C1)Cl)C2=CC=NC=C2	XSSPWQZOHMSJKP-UHFFFAOYSA-N
DG56007	"3,5-Dichloro-N-(1-(4-pyridinyl)ethylidene)aniline"	383458	"NSC671844; 3,5-Dichloro-N-(1-(4-pyridinyl)ethylidene)aniline; CHEMBL1964999; NSC-671844; NCI60_025395; N-(3,5-dichlorophenyl)-1-(4-pyridyl)ethanimine; N-(3,5-Dichlorophenyl)-N-(1-(4-pyridinyl)ethylidene)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671844	.	.	.	.	265.13	C13H10Cl2N2	25.2	265	3.6	17	0	2	2	"InChI=1S/C13H10Cl2N2/c1-9(10-2-4-16-5-3-10)17-13-7-11(14)6-12(15)8-13/h2-8H,1H3"	CC(=NC1=CC(=CC(=C1)Cl)Cl)C2=CC=NC=C2	CSOOXWOHNIBLNL-UHFFFAOYSA-N
DG56008	"3,4-Dichloro-N-(1-(4-pyridinyl)ethylidene)aniline"	383459	"NSC671845; 3,4-Dichloro-N-(1-(4-pyridinyl)ethylidene)aniline; CHEMBL2004460; NSC-671845; NCI60_025396; N-(3,4-dichlorophenyl)-1-(4-pyridyl)ethanimine; N-(3,4-Dichlorophenyl)-N-(1-(4-pyridinyl)ethylidene)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671845	.	.	.	.	265.13	C13H10Cl2N2	25.2	275	3.6	17	0	2	2	"InChI=1S/C13H10Cl2N2/c1-9(10-4-6-16-7-5-10)17-11-2-3-12(14)13(15)8-11/h2-8H,1H3"	CC(=NC1=CC(=C(C=C1)Cl)Cl)C2=CC=NC=C2	MZVUFYKOPKODJP-UHFFFAOYSA-N
DG56009	"4-[2-(4-Chlorobenzyl)hydrazino]-N-(4-chlorophenyl)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxamide"	383462	"NSC671848; CHEMBL1967747; NSC-671848; NCI60_025399; 4-[2-(4-Chlorobenzyl)hydrazino]-N-(4-chlorophenyl)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671848	.	.	.	.	418.3	C19H17Cl2N5O2	94.6	651	3.6	28	4	3	6	"InChI=1S/C19H17Cl2N5O2/c1-11-16(18(27)24-15-8-6-14(21)7-9-15)17(25-19(28)23-11)26-22-10-12-2-4-13(20)5-3-12/h2-9,22H,10H2,1H3,(H,24,27)(H2,23,25,26,28)"	CC1=C(C(=NC(=O)N1)NNCC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl	PGGUWDCNCVYASA-UHFFFAOYSA-N
DG56010	Isothiocyanoalloaromadendrane	383471	NSC671857; Isothiocyanoalloaromadendrane; CHEMBL1994976; NSC-671857; (-)-10(S)-Isothiocyanoalloaromadendrane; (10S)-( )-Isothiocyanoalloaromadendrane; NCI60_025408	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671857	.	.	.	.	263.4	C16H25NS	44.4	409	5.8	18	0	2	1	"InChI=1S/C16H25NS/c1-10-5-6-11-13(10)14-12(15(14,2)3)7-8-16(11,4)17-9-18/h10-14H,5-8H2,1-4H3/t10-,11+,12-,13+,14-,16+/m1/s1"	C[C@@H]1CC[C@H]2[C@H]1[C@H]3[C@H](C3(C)C)CC[C@]2(C)N=C=S	ARPIGBFJJLTHFU-ZBXLYSBASA-N
DG56011	NSC671864	383472	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-3-(hexanoylamino)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC671864; CHEMBL1999695; NSC-671864; NCI60_025409"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671864	.	.	.	.	837.9	C44H55NO15	234	1720	3	60	4	15	17	"InChI=1S/C44H55NO15/c1-8-9-11-18-31(49)45-33(27-17-14-19-55-27)34(50)40(53)58-28-21-44(54)38(59-39(52)26-15-12-10-13-16-26)36-42(7,29(48)20-30-43(36,22-56-30)60-25(4)47)37(51)35(57-24(3)46)32(23(28)2)41(44,5)6/h10,12-17,19,28-30,33-36,38,48,50,54H,8-9,11,18,20-22H2,1-7H3,(H,45,49)/t28-,29-,30+,33-,34+,35+,36-,38-,42+,43-,44+/m0/s1"	CCCCCC(=O)N[C@@H](C1=CC=CO1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O	NQBYOXCPYUHXJW-MNLIZOKASA-N
DG56012	NSC671865	383473	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3R)-3-(decanoylamino)-3-(furan-2-yl)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC671865; CHEMBL2002512; NSC-671865; NCI60_025410"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671865	.	.	.	.	894	C48H63NO15	234	1790	5.2	64	4	15	21	"InChI=1S/C48H63NO15/c1-8-9-10-11-12-13-17-22-35(53)49-37(31-21-18-23-59-31)38(54)44(57)62-32-25-48(58)42(63-43(56)30-19-15-14-16-20-30)40-46(7,33(52)24-34-47(40,26-60-34)64-29(4)51)41(55)39(61-28(3)50)36(27(32)2)45(48,5)6/h14-16,18-21,23,32-34,37-40,42,52,54,58H,8-13,17,22,24-26H2,1-7H3,(H,49,53)/t32-,33-,34+,37-,38+,39+,40-,42-,46+,47-,48+/m0/s1"	CCCCCCCCCC(=O)N[C@@H](C1=CC=CO1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O	IBZLMTMPCWQAIN-AKSVVSKXSA-N
DG56013	NSC671866	383474	"(2R,3S)-2-Hydroxy-3-(benzoylamino)-3-[3-(dimethylamino)phenyl]propionic acid 1,7beta-dihydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-5beta,20-epoxy-9-oxotax-11-en-13alpha-yl ester; NSC671866; CHEMBL2003181; NSC-671866; NCI60_025411; (2R,3S)-2-Hydroxy-3-(benzoylamino)-3-[3-(dimethylamino)phenyl]propionic acid 1,7beta-dihydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-5beta,20-epoxy-9-oxotax-11-en-13alpha-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671866	.	.	.	.	897	C49H56N2O14	225	1890	2.6	65	4	15	15	"InChI=1S/C49H56N2O14/c1-26-33(63-45(59)38(55)37(31-20-15-21-32(22-31)51(7)8)50-43(57)29-16-11-9-12-17-29)24-49(60)42(64-44(58)30-18-13-10-14-19-30)40-47(6,34(54)23-35-48(40,25-61-35)65-28(3)53)41(56)39(62-27(2)52)36(26)46(49,4)5/h9-22,33-35,37-40,42,54-55,60H,23-25H2,1-8H3,(H,50,57)/t33-,34-,35+,37-,38+,39+,40-,42-,47+,48-,49+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC(=CC=C5)N(C)C)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	WZCDCLFHIZTMLL-XOVTVWCYSA-N
DG56014	NSC671867	383475	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] cyclohexanecarboxylate; NSC671867; CHEMBL2005834; NSC-671867; NCI60_025412; (2R,3S)-2-Hydroxy-3-[(tert-butoxycarbonyl)amino]-3-phenylpropanoic acid [(2aR,11S)-6alpha,12bbeta-bis(acetoxy)-12beta-[(cyclohexylcarbonyl)oxy]-2abeta,3,4,4a,5,6,9,10,11,12,12abeta,12b-dodecahydro-4alpha,11-dihydroxy-4aalpha,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet]-9beta-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671867	.	.	.	.	856	C45H61NO15	231	1770	2.6	61	4	15	15	"InChI=1S/C45H61NO15/c1-23-28(58-39(53)33(50)32(26-16-12-10-13-17-26)46-40(54)61-41(4,5)6)21-45(55)37(59-38(52)27-18-14-11-15-19-27)35-43(9,29(49)20-30-44(35,22-56-30)60-25(3)48)36(51)34(57-24(2)47)31(23)42(45,7)8/h10,12-13,16-17,27-30,32-35,37,49-50,55H,11,14-15,18-22H2,1-9H3,(H,46,54)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6CCCCC6)(CO4)OC(=O)C)O)C)OC(=O)C	FFFCFIXCAKEPHD-OAGWZNDDSA-N
DG56015	NSC671868	383476	"(2R,3S)-3-(Benzoylamino)-2-hydroxy-3-cyclohexylpropionic acid 1,7beta-dihydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester; NSC671868; CHEMBL1965984; NSC-671868; NCI60_025413; (2R,3S)-3-(Benzoylamino)-2-hydroxy-3-cyclohexylpropionic acid 1,7beta-dihydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671868	.	.	.	.	860	C47H57NO14	221	1790	4.6	62	4	14	14	"InChI=1S/C47H57NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h8-9,12-15,18-21,28,31-33,35-38,40,51-52,57H,7,10-11,16-17,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5CCCCC5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	GSZKRMXIBMHPPX-MZXODVADSA-N
DG56016	NSC671869	383477	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-(cyclohexanecarbonylamino)-3-cyclohexyl-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] cyclohexanecarboxylate; NSC671869; CHEMBL1989838; NSC-671869; NCI60_025414; (2R,3S)-2-Hydroxy-3-[(cyclohexylcarbonyl)amino]-3-cyclohexylpropanoic acid [(2aR,11S)-6alpha,12bbeta-bis(acetoxy)-12beta-[(cyclohexylcarbonyl)oxy]-2abeta,3,4,4a,5,6,9,10,11,12,12abeta,12b-dodecahydro-4alpha,11-dihydroxy-4aalpha,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet]-9beta-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671869	.	.	.	.	872	C47H69NO14	221	1790	5.4	62	4	14	14	"InChI=1S/C47H69NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h28-33,35-38,40,51-52,57H,7-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5CCCCC5)NC(=O)C6CCCCC6)O)O)OC(=O)C7CCCCC7)(CO4)OC(=O)C)O)C)OC(=O)C	KEJNFYZOQVPCEX-MZXODVADSA-N
DG56017	NSC671870	383478	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-(2-methylphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC671870; CHEMBL552778; NSC-671870; NCI60_025415"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671870	.	.	.	.	867.9	C48H53NO14	221	1830	2.9	63	4	14	14	"InChI=1S/C48H53NO14/c1-25-16-14-15-21-31(25)36(49-42(55)29-17-10-8-11-18-29)37(53)44(57)61-32-23-48(58)41(62-43(56)30-19-12-9-13-20-30)39-46(7,33(52)22-34-47(39,24-59-34)63-28(4)51)40(54)38(60-27(3)50)35(26(32)2)45(48,5)6/h8-21,32-34,36-39,41,52-53,58H,22-24H2,1-7H3,(H,49,55)/t32-,33-,34+,36-,37+,38+,39-,41-,46+,47-,48+/m0/s1"	CC1=CC=CC=C1[C@@H]([C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O)NC(=O)C7=CC=CC=C7	GPXXCBCOKZSKIT-JBTWBBNCSA-N
DG56018	NSC671872	383481	"(2R,3S)-2-Hydroxy-3-(benzoylamino)-3-phenylpropionic acid 1,7beta-dihydroxy-2alpha-[(3-nitrobenzoyl)oxy]-4,10beta-diacetoxy-5beta,20-epoxy-9-oxotaxa-11-ene-13alpha-yl ester; NSC671872; CHEMBL410880; NSC-671872; NCI60_025417; (2R,3S)-2-Hydroxy-3-(benzoylamino)-3-phenylpropionic acid 1,7beta-dihydroxy-2alpha-[(3-nitrobenzoyl)oxy]-4,10beta-diacetoxy-5beta,20-epoxy-9-oxotaxa-11-ene-13alpha-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671872	.	.	.	.	898.9	C47H50N2O16	267	1930	2.3	65	4	16	14	"InChI=1S/C47H50N2O16/c1-24-31(63-43(57)36(53)35(27-14-9-7-10-15-27)48-41(55)28-16-11-8-12-17-28)22-47(58)40(64-42(56)29-18-13-19-30(20-29)49(59)60)38-45(6,32(52)21-33-46(38,23-61-33)65-26(3)51)39(54)37(62-25(2)50)34(24)44(47,4)5/h7-20,31-33,35-38,40,52-53,58H,21-23H2,1-6H3,(H,48,55)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC(=CC=C7)[N+](=O)[O-])(CO4)OC(=O)C)O)C)OC(=O)C	RTXSMQCFFXZLPU-MZXODVADSA-N
DG56019	"6-Chloro-3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	383496	"NSC671881; 6-Chloro-3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole; CHEMBL1977446; 6-chloro-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole; NSC-671881; NCI60_025426"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671881	.	.	.	.	174.61	C4H3ClN4S	71.3	145	1.6	10	0	4	0	InChI=1S/C4H3ClN4S/c1-2-6-7-4-9(2)8-3(5)10-4/h1H3	CC1=NN=C2N1N=C(S2)Cl	ZWYWAZVNJOFKJX-UHFFFAOYSA-N
DG56020	"1,2,3,4-Tetrafluoro-12H-benzimidazo[2,1-b][1,3]benzothiazin-12-one"	383498	"NSC671883; 1,2,3,4-Tetrafluoro-12H-benzimidazo[2,1-b][1,3]benzothiazin-12-one; CHEMBL1990930; ZINC1424429; 1,2,3,4-tetrafluorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one; STK777045; AKOS001743723; MCULE-3598864622; NSC-671883; NCI60_025428"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671883	.	.	.	.	324.25	C14H4F4N2OS	60.2	484	3.9	22	0	7	0	InChI=1S/C14H4F4N2OS/c15-8-7-12(11(18)10(17)9(8)16)22-14-19-5-3-1-2-4-6(5)20(14)13(7)21/h1-4H	C1=CC=C2C(=C1)N=C3N2C(=O)C4=C(C(=C(C(=C4S3)F)F)F)F	IIUYXSVKMWXCSD-UHFFFAOYSA-N
DG56021	"6,7,8,9-Tetrafluoro-5H-imidazo[2,1-b][1,3]benzothiazin-5-one"	383499	"NSC671884; 6,7,8,9-Tetrafluoro-5H-imidazo[2,1-b][1,3]benzothiazin-5-one; CHEMBL1982079; 6,7,8,9-tetrafluoroimidazo[2,1-b][1,3]benzothiazin-5-one; NSC-671884; NCI60_025429; 5,6,7,8-Tetrafluoro-1,3a-diaza-9-thia-4H-benz[f]inden-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671884	.	.	.	.	274.2	C10H2F4N2OS	60.2	374	2.4	18	0	7	0	InChI=1S/C10H2F4N2OS/c11-4-3-8(7(14)6(13)5(4)12)18-10-15-1-2-16(10)9(3)17/h1-2H	C1=CN2C(=O)C3=C(C(=C(C(=C3SC2=N1)F)F)F)F	PDYJWECYSBQFPG-UHFFFAOYSA-N
DG56022	"6,7,8,9-Tetrafluoro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one"	383500	"NSC671885; CHEMBL1975973; 6,7,8,9-Tetrafluoro-2,3-dihydro-5H-imidazo[2,1-b][1,3]benzothiazin-5-one; 6,7,8,9-tetrafluoro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one; NSC-671885; NCI60_025430; 5,6,7,8-Tetrafluoro-2,3-dihydro-1,3a-diaza-9-thia-4H-benz[f]inden-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671885	.	.	.	.	276.21	C10H4F4N2OS	58	421	1.8	18	0	7	0	InChI=1S/C10H4F4N2OS/c11-4-3-8(7(14)6(13)5(4)12)18-10-15-1-2-16(10)9(3)17/h1-2H2	C1CN2C(=O)C3=C(C(=C(C(=C3SC2=N1)F)F)F)F	XAUUAHZXDUBTFR-UHFFFAOYSA-N
DG56023	"9,10,11,12-Tetrafluoro-13H-[1,3]benzothiazino[3,2-a]perimidin-13-one"	383501	"NSC671886; tetrafluoro[ ]one; 9,10,11,12-Tetrafluoro-13H-[1,3]benzothiazino[3,2-a]perimidin-13-one; CHEMBL1997224; NSC-671886; NCI60_025431; 9,10,11,12-Tetrafluoro-7,13a-diaza-8-thia-13H-benzo[de]naphthacene-13-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671886	.	.	.	.	374.3	C18H6F4N2OS	58	649	4.7	26	0	7	0	InChI=1S/C18H6F4N2OS/c19-12-11-16(15(22)14(21)13(12)20)26-18-23-8-5-1-3-7-4-2-6-9(10(7)8)24(18)17(11)25/h1-6H	C1=CC2=C3C(=C1)N=C4N(C3=CC=C2)C(=O)C5=C(C(=C(C(=C5S4)F)F)F)F	FCZWHJVDSRONKF-UHFFFAOYSA-N
DG56024	"1,2,3,4-Tetrafluoro-5H-benzimidazo[1,2-a][3,1]benzothiazine"	383502	"NSC671887; 1,2,3,4-Tetrafluoro-5H-benzimidazo[1,2-a][3,1]benzothiazine; CHEMBL1973633; 1,2,3,4-tetrafluoro-5H-benzimidazolo[1,2-a][3,1]benzothiazine; NSC-671887; NCI60_025432; 1,2,3,4-Tetrafluoro-6-thia-7,11b-diaza-5H-benzo[c]fluorene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671887	.	.	.	.	310.27	C14H6F4N2S	43.1	414	3.9	21	0	6	0	"InChI=1S/C14H6F4N2S/c15-9-6-5-21-14-19-7-3-1-2-4-8(7)20(14)13(6)12(18)11(17)10(9)16/h1-4H,5H2"	C1C2=C(C(=C(C(=C2F)F)F)F)N3C4=CC=CC=C4N=C3S1	KVSQKCGNXBDOJA-UHFFFAOYSA-N
DG56025	"1-(2,3,4,5,6-Pentafluorobenzoyl)-1,3-dihydro-2H-benzimidazol-2-one"	383503	"NSC671888; 1-(2,3,4,5,6-Pentafluorobenzoyl)-1,3-dihydro-2H-benzimidazol-2-one; CHEMBL2005145; 3-(2,3,4,5,6-pentafluorobenzoyl)-1H-benzimidazol-2-one; NSC-671888; NCI60_025433"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671888	.	.	.	.	328.19	C14H5F5N2O2	49.4	492	2.7	23	1	7	1	"InChI=1S/C14H5F5N2O2/c15-8-7(9(16)11(18)12(19)10(8)17)13(22)21-6-4-2-1-3-5(6)20-14(21)23/h1-4H,(H,20,23)"	C1=CC=C2C(=C1)NC(=O)N2C(=O)C3=C(C(=C(C(=C3F)F)F)F)F	PGTWONJBDFEPBE-UHFFFAOYSA-N
DG56026	"2-Methyl-1-(2,3,4,5,6-pentafluorobenzoyl)-1H-benzimidazole"	383504	"NSC671889; 2-Methyl-1-(2,3,4,5,6-pentafluorobenzoyl)-1H-benzimidazole; CHEMBL1979054; (2-methylbenzimidazol-1-yl)-(2,3,4,5,6-pentafluorophenyl)methanone; NSC-671889; NCI60_025434"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671889	.	.	.	.	326.22	C15H7F5N2O	34.9	451	3.9	23	0	7	1	"InChI=1S/C15H7F5N2O/c1-6-21-7-4-2-3-5-8(7)22(6)15(23)9-10(16)12(18)14(20)13(19)11(9)17/h2-5H,1H3"	CC1=NC2=CC=CC=C2N1C(=O)C3=C(C(=C(C(=C3F)F)F)F)F	DJOROBASCMRIJL-UHFFFAOYSA-N
DG56027	"2-Imidazolidinethione, 1,3-bis(pentafluorobenzoyl)-"	383506	"NSC671891; 2-Imidazolidinethione, 1,3-bis(pentafluorobenzoyl)-; CHEMBL1991355; NSC-671891; NCI60_025436; [3-(2,3,4,5,6-pentafluorobenzoyl)-2-thioxo-imidazolidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671891	.	.	.	.	490.3	C17H4F10N2O2S	72.7	688	4	32	0	13	2	InChI=1S/C17H4F10N2O2S/c18-5-3(6(19)10(23)13(26)9(5)22)15(30)28-1-2-29(17(28)32)16(31)4-7(20)11(24)14(27)12(25)8(4)21/h1-2H2	C1CN(C(=S)N1C(=O)C2=C(C(=C(C(=C2F)F)F)F)F)C(=O)C3=C(C(=C(C(=C3F)F)F)F)F	KHZPQUJFLVDQDB-UHFFFAOYSA-N
DG56028	"Diethyl 1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylphosphonate"	383543	"NSC671961; Diethyl 1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylphosphonate; CHEMBL1967771; NSC-671961; NCI60_025457; ethyl N-[1-diethoxyphosphoryl-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]carbamate; N-[1-(Trifluoromethyl)-1-(diethoxyphosphinoyl)-2,2,2-trifluoroethyl]carbamic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671961	.	.	.	.	375.2	C10H16F6NO5P	73.9	428	2.5	23	1	11	8	"InChI=1S/C10H16F6NO5P/c1-4-20-7(18)17-8(9(11,12)13,10(14,15)16)23(19,21-5-2)22-6-3/h4-6H2,1-3H3,(H,17,18)"	CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OCC)OCC	LNBKHNFBZUZDFR-UHFFFAOYSA-N
DG56029	"ethyl N-[2-[bis(2-methylpropoxy)phosphoryl]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate"	383545	"NSC671963; diisobutyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate; Diisobutyl 1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylphosphonate; 330944-06-4; CHEMBL1979070; MFCD00358776; NSC-671963; ethyl N-[2-[bis(2-methylpropoxy)phosphoryl]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate; NCI60_025459; ethyl N-[1-diisobutoxyphosphoryl-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671963	.	.	.	.	431.31	C14H24F6NO5P	73.9	505	4.4	27	1	11	10	"InChI=1S/C14H24F6NO5P/c1-6-24-11(22)21-12(13(15,16)17,14(18,19)20)27(23,25-7-9(2)3)26-8-10(4)5/h9-10H,6-8H2,1-5H3,(H,21,22)"	CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C	VNGFAWSISVJGAU-UHFFFAOYSA-N
DG56030	"Methyl 2,2,2-trifluoro-1-(2-oxido-1,3,2-dioxaphosphinan-2-yl)-1-(trifluoromethyl)ethylcarbamate"	383547	"NSC671965; Methyl 2,2,2-trifluoro-1-(2-oxido-1,3,2-dioxaphosphinan-2-yl)-1-(trifluoromethyl)ethylcarbamate; CHEMBL1975055; NSC-671965; NCI60_025461; methyl N-[2,2,2-trifluoro-1-(2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)-1-(trifluoromethyl)ethyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671965	.	.	.	.	345.13	C8H10F6NO5P	73.9	425	1.5	21	1	11	3	"InChI=1S/C8H10F6NO5P/c1-18-5(16)15-6(7(9,10)11,8(12,13)14)21(17)19-3-2-4-20-21/h2-4H2,1H3,(H,15,16)"	COC(=O)NC(C(F)(F)F)(C(F)(F)F)P1(=O)OCCCO1	QZENBZDNDPWRAA-UHFFFAOYSA-N
DG56031	"Diethyl 1-((1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)(methyl)amino)-2-methylpropylphosphonate"	383548	"NSC671966; Diethyl 1-((1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)(methyl)amino)-2-methylpropylphosphonate; CHEMBL2007361; NSC-671966; NCI60_025462; ethyl N-[1-[(1-diethoxyphosphoryl-2-methyl-propyl)-methyl-amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671966	.	.	.	.	460.35	C15H27F6N2O5P	77.1	561	4	29	1	12	11	"InChI=1S/C15H27F6N2O5P/c1-7-26-12(24)22-13(14(16,17)18,15(19,20)21)23(6)11(10(4)5)29(25,27-8-2)28-9-3/h10-11H,7-9H2,1-6H3,(H,22,24)"	CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)N(C)C(C(C)C)P(=O)(OCC)OCC	NICZZHNMWYKNJJ-UHFFFAOYSA-N
DG56032	"N-(4-Methylphenyl)-N'-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)urea"	383550	"NSC671968; CHEMBL1975840; NSC-671968; N-(4-Methylphenyl)-N'-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)urea; NCI60_025464; 1-(p-tolyl)-3-[2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl]urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671968	.	.	.	.	330.23	C12H12F6N2O2	50.4	374	3.4	22	2	8	3	"InChI=1S/C12H12F6N2O2/c1-7-3-5-8(6-4-7)19-9(21)20-10(22-2,11(13,14)15)12(16,17)18/h3-6H,1-2H3,(H2,19,20,21)"	CC1=CC=C(C=C1)NC(=O)NC(C(F)(F)F)(C(F)(F)F)OC	JSTGUVJINKUCHS-UHFFFAOYSA-N
DG56033	"N-(2-Methylphenyl)-N'-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)urea"	383551	"NSC671969; CHEMBL1990621; NSC-671969; N-(2-Methylphenyl)-N'-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)urea; NCI60_025465; 1-(o-tolyl)-3-[2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl]urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671969	.	.	.	.	330.23	C12H12F6N2O2	50.4	382	2.7	22	2	8	3	"InChI=1S/C12H12F6N2O2/c1-7-5-3-4-6-8(7)19-9(21)20-10(22-2,11(13,14)15)12(16,17)18/h3-6H,1-2H3,(H2,19,20,21)"	CC1=CC=CC=C1NC(=O)NC(C(F)(F)F)(C(F)(F)F)OC	LAQNWRSMAJHEGX-UHFFFAOYSA-N
DG56034	"Ethyl 4-((1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)amino)benzoate"	383555	"NSC671973; Ethyl 4-((1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)amino)benzoate; CHEMBL1972751; NSC-671973; NCI60_025469; ethyl 4-[[1-(ethoxycarbonylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671973	.	.	.	.	402.29	C15H16F6N2O4	76.7	501	5	27	2	11	8	"InChI=1S/C15H16F6N2O4/c1-3-26-11(24)9-5-7-10(8-6-9)22-13(14(16,17)18,15(19,20)21)23-12(25)27-4-2/h5-8,22H,3-4H2,1-2H3,(H,23,25)"	CCOC(=O)C1=CC=C(C=C1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)OCC	WPEQIOGQRUGNDM-UHFFFAOYSA-N
DG56035	"Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate"	383560	"NSC671978; CBMicro_019032; CHEMBL1986961; C12H11F7N2O2; CCG-5114; ZINC1644562; STL326474; AKOS022107458; Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate; MCULE-7044009268; NSC-671978; NCI60_025474; BIM-0019135.P001; ethyl {1,1,1,3,3,3-hexafluoro-2-[(3-fluorophenyl)amino]propan-2-yl}carbamate; ethyl N-[2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethyl]carbamate; 340030-32-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671978	.	.	.	.	348.22	C12H11F7N2O2	50.4	397	4.9	23	2	10	5	"InChI=1S/C12H11F7N2O2/c1-2-23-9(22)21-10(11(14,15)16,12(17,18)19)20-8-5-3-4-7(13)6-8/h3-6,20H,2H2,1H3,(H,21,22)"	CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC(=CC=C1)F	KGMLTQCQTSEXKL-UHFFFAOYSA-N
DG56036	"Methyl 2,2,2-trifluoro-1-(4-toluidino)-1-(trifluoromethyl)ethylcarbamate"	383582	"NSC672000; Methyl 2,2,2-trifluoro-1-(4-toluidino)-1-(trifluoromethyl)ethylcarbamate; CHEMBL1974748; NSC-672000; NCI60_025496; methyl N-[2,2,2-trifluoro-1-(4-methylanilino)-1-(trifluoromethyl)ethyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672000	.	.	.	.	330.23	C12H12F6N2O2	50.4	374	4.7	22	2	9	4	"InChI=1S/C12H12F6N2O2/c1-7-3-5-8(6-4-7)19-10(11(13,14)15,12(16,17)18)20-9(21)22-2/h3-6,19H,1-2H3,(H,20,21)"	CC1=CC=C(C=C1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)OC	ASBZDWHFZWAFRZ-UHFFFAOYSA-N
DG56037	"Methyl 1-(2,4-dichloroanilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate"	383583	"NSC672001; Methyl 1-(2,4-dichloroanilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate; CHEMBL2004757; NSC-672001; NCI60_025497; methyl N-[1-(2,4-dichloroanilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672001	.	.	.	.	385.09	C11H8Cl2F6N2O2	50.4	418	5.6	23	2	9	4	"InChI=1S/C11H8Cl2F6N2O2/c1-23-8(22)21-9(10(14,15)16,11(17,18)19)20-7-3-2-5(12)4-6(7)13/h2-4,20H,1H3,(H,21,22)"	COC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C=C(C=C1)Cl)Cl	PCPBBUYIFYYHHP-UHFFFAOYSA-N
DG56038	"N-(1-Ethoxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)propanamide"	383584	"NSC672002; N-(1-Ethoxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)propanamide; N-[1-ethoxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]propanamide; CHEMBL1983179; MCULE-9322795479; NSC-672002; NCI60_025498"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672002	.	.	.	.	267.17	C8H11F6NO2	38.3	258	2.4	17	1	8	4	"InChI=1S/C8H11F6NO2/c1-3-5(16)15-6(17-4-2,7(9,10)11)8(12,13)14/h3-4H2,1-2H3,(H,15,16)"	CCC(=O)NC(C(F)(F)F)(C(F)(F)F)OCC	GSMHOOASLPEBRE-UHFFFAOYSA-N
DG56039	"Isopentyl 2,2,2-trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate"	383585	"NSC672003; Isopentyl 2,2,2-trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate; CHEMBL2001919; NSC-672003; NCI60_025499; isopentyl N-[2,2,2-trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672003	.	.	.	.	390.3	C15H17F7N2O2	50.4	444	6.2	26	2	10	7	"InChI=1S/C15H17F7N2O2/c1-9(2)7-8-26-12(25)24-13(14(17,18)19,15(20,21)22)23-11-5-3-10(16)4-6-11/h3-6,9,23H,7-8H2,1-2H3,(H,24,25)"	CC(C)CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)F	OPMUGVBFTYMZFU-UHFFFAOYSA-N
DG56040	"N-(2,2,2-Trifluoro-1-(3-fluoro-2-methylanilino)-1-(trifluoromethyl)ethyl)propanamide"	383588	"NSC672006; CHEMBL2005436; NSC-672006; N-(2,2,2-Trifluoro-1-(3-fluoro-2-methylanilino)-1-(trifluoromethyl)ethyl)propanamide; NCI60_025502; N-[2,2,2-trifluoro-1-(3-fluoro-2-methyl-anilino)-1-(trifluoromethyl)ethyl]propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672006	.	.	.	.	346.24	C13H13F7N2O	41.1	408	4.9	23	2	9	4	"InChI=1S/C13H13F7N2O/c1-3-10(23)22-11(12(15,16)17,13(18,19)20)21-9-6-4-5-8(14)7(9)2/h4-6,21H,3H2,1-2H3,(H,22,23)"	CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C(=CC=C1)F)C	WHHXLVLOSHYFAG-UHFFFAOYSA-N
DG56041	"5-Methyl-2-benzylimino-1,3-thiazolidine"	383596	"NSC672014; Benzyl-(5-methyl-4,5-dihydro-thiazol-2-yl)-amine; 21018-34-8; N-benzyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine; 5-Methyl-2-benzylimino-1,3-thiazolidine; ChemDiv2_000249; Cambridge id 5564630; MLS000523730; CHEMBL1607787; HMS1369L07; HMS2355K07; 5-Methyl-2-benzylimino-thiazolidine; STK367523; STL324814; AKOS000319339; AKOS022104273; CCG-103892; MCULE-9693221326; NSC-672014; NCI60_025510; SMR000122803; N-benzyl-5-methyl-4,5-dihydrothiazol-2-amine; AB00089423-01; SR-01000399470; 2-Benzylamino-5-methyl-4,5-dihydro-1,3-thiazoline; SR-01000399470-1; BRD-A34116291-001-08-2; N-[(2E)-5-Methyl-1,3-thiazolidin-2-ylidene](phenyl)methanamine #; N-[(2E)-5-methyl-1,3-thiazolidin-2-ylidene]-1-phenylmethanamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672014	.	.	.	.	206.31	C11H14N2S	49.7	209	2.1	14	1	2	3	"InChI=1S/C11H14N2S/c1-9-7-12-11(14-9)13-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)"	CC1CN=C(S1)NCC2=CC=CC=C2	TUSOLQRZIXORLP-UHFFFAOYSA-N
DG56042	"N-(2,4-Difluorophenyl)-5-methylene-4,5-dihydro-1,3-thiazol-2-amine"	383604	"NSC672022; CHEMBL1976695; ZINC1644593; N-(2,4-Difluorophenyl)-5-methylene-4,5-dihydro-1,3-thiazol-2-amine; NSC-672022; NCI60_025518; N-(2,4-difluorophenyl)-5-methylene-4H-thiazol-2-amine; N-(2,4-Difluorophenyl)-N-(5-methylene-4,5-dihydro-1,3-thiazol-2-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672022	.	.	.	.	226.25	C10H8F2N2S	49.7	293	2.4	15	1	4	2	"InChI=1S/C10H8F2N2S/c1-6-5-13-10(15-6)14-9-3-2-7(11)4-8(9)12/h2-4H,1,5H2,(H,13,14)"	C=C1CN=C(S1)NC2=C(C=C(C=C2)F)F	LNWPMACBZBNWTA-UHFFFAOYSA-N
DG56043	"urea, N-(4,5-dihydro-5-methyl-2-thiazolyl)-N-(3,4-dimethylphenyl)-N'-methyl-"	383608	"NSC672026; N-(3,4-Dimethylphenyl)-N'-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea; CHEMBL2002325; STK367527; AKOS003314420; MCULE-8527909745; NSC-672026; 1-(3,4-dimethylphenyl)-3-methyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea; urea, N-(4,5-dihydro-5-methyl-2-thiazolyl)-N-(3,4-dimethylphenyl)-N'-methyl-; NCI60_025522; 1-(3,4-dimethylphenyl)-3-methyl-1-(5-methyl-4,5-dihydrothiazol-2-yl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672026	.	.	.	.	277.39	C14H19N3OS	70	372	2.7	19	1	3	2	"InChI=1S/C14H19N3OS/c1-9-5-6-12(7-10(9)2)17(13(18)15-4)14-16-8-11(3)19-14/h5-7,11H,8H2,1-4H3,(H,15,18)"	CC1CN=C(S1)N(C2=CC(=C(C=C2)C)C)C(=O)NC	IYANBFOTFIODLQ-UHFFFAOYSA-N
DG56044	"N'-(4-Chlorophenyl)-N-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea"	383609	"NSC672027; CHEMBL2005569; SCHEMBL13037489; STK372664; 3-(4-chlorophenyl)-1-methyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea; AKOS003314421; N'-(4-Chlorophenyl)-N-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea; MCULE-8528040986; NSC-672027; NCI60_025523; 3-(4-chlorophenyl)-1-methyl-1-(5-methyl-4,5-dihydrothiazol-2-yl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672027	.	.	.	.	283.78	C12H14ClN3OS	70	342	2.6	18	1	3	2	"InChI=1S/C12H14ClN3OS/c1-8-7-14-12(18-8)16(2)11(17)15-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H,15,17)"	CC1CN=C(S1)N(C)C(=O)NC2=CC=C(C=C2)Cl	DHBIZNKAPKMZPO-UHFFFAOYSA-N
DG56045	"3-(3,4-Dichlorophenyl)-1-methyl-1-(5-methyl-2-thiazolin-2-yl)urea"	383612	"NSC672030; 3-(3,4-Dichlorophenyl)-1-methyl-1-(5-methyl-2-thiazolin-2-yl)urea; CHEMBL1971174; AKOS003314712; NSC-672030; NCI60_025526; 3-(3,4-dichlorophenyl)-1-methyl-1-(5-methyl-4,5-dihydrothiazol-2-yl)urea; N'-(3,4-Dichlorophenyl)-N-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea #; Urea, N'-(3,4-dichlorophenyl)-N-(4,5-dihydro-5-methyl-2-thiazolyl)-N-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672030	.	.	.	.	318.2	C12H13Cl2N3OS	70	380	3.2	19	1	3	2	"InChI=1S/C12H13Cl2N3OS/c1-7-6-15-12(19-7)17(2)11(18)16-8-3-4-9(13)10(14)5-8/h3-5,7H,6H2,1-2H3,(H,16,18)"	CC1CN=C(S1)N(C)C(=O)NC2=CC(=C(C=C2)Cl)Cl	MMRNHFGQOYNUCE-UHFFFAOYSA-N
DG56046	"3-(3,4-Dichlorophenyl)-1-(5-methyl-2-thiazolin-2-yl)-1-phenylurea"	383613	"NSC672031; 3-(3,4-Dichlorophenyl)-1-(5-methyl-2-thiazolin-2-yl)-1-phenylurea; CHEMBL1983772; AKOS003313676; NSC-672031; NCI60_025527; 3-(3,4-dichlorophenyl)-1-(5-methyl-4,5-dihydrothiazol-2-yl)-1-phenyl-urea; N'-(3,4-Dichlorophenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-phenylurea; N'-(3,4-Dichlorophenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-phenylurea #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672031	.	.	.	.	380.3	C17H15Cl2N3OS	70	485	4.8	24	1	3	3	"InChI=1S/C17H15Cl2N3OS/c1-11-10-20-17(24-11)22(13-5-3-2-4-6-13)16(23)21-12-7-8-14(18)15(19)9-12/h2-9,11H,10H2,1H3,(H,21,23)"	CC1CN=C(S1)N(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl	OGMJVGSHINJNEX-UHFFFAOYSA-N
DG56047	"3-(3,4-Dichlorophenyl)-1-(5-methyl-2-thiazolin-2-yl)-1-(m-tolyl)urea"	383614	"NSC672032; 3-(3,4-Dichlorophenyl)-1-(5-methyl-2-thiazolin-2-yl)-1-(m-tolyl)urea; CHEMBL1976167; STK372666; AKOS003314713; MCULE-2652018318; NSC-672032; 3-(3,4-dichlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methylphenyl)urea; NCI60_025528; 3-(3,4-dichlorophenyl)-1-(5-methyl-4,5-dihydrothiazol-2-yl)-1-(m-tolyl)urea; N'-(3,4-Dichlorophenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-methylphenyl)urea; N'-(3,4-Dichlorophenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-methylphenyl)urea #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672032	.	.	.	.	394.3	C18H17Cl2N3OS	70	519	5.1	25	1	3	3	"InChI=1S/C18H17Cl2N3OS/c1-11-4-3-5-14(8-11)23(18-21-10-12(2)25-18)17(24)22-13-6-7-15(19)16(20)9-13/h3-9,12H,10H2,1-2H3,(H,22,24)"	CC1CN=C(S1)N(C2=CC=CC(=C2)C)C(=O)NC3=CC(=C(C=C3)Cl)Cl	ZQTGDEHCVGFQCB-UHFFFAOYSA-N
DG56048	"N'-(4-Chlorophenyl)-N-(4-fluorobenzyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea"	383618	"NSC672036; CHEMBL1997038; SCHEMBL13037488; STK690979; AKOS005602963; MCULE-8961501464; NSC-672036; N'-(4-Chlorophenyl)-N-(4-fluorobenzyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea; NCI60_025532; 3-(4-chlorophenyl)-1-(4-fluorobenzyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea; 3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1-(5-methyl-4,5-dihydrothiazol-2-yl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672036	.	.	.	.	377.9	C18H17ClFN3OS	70	491	4.2	25	1	4	4	"InChI=1S/C18H17ClFN3OS/c1-12-10-21-18(25-12)23(11-13-2-6-15(20)7-3-13)17(24)22-16-8-4-14(19)5-9-16/h2-9,12H,10-11H2,1H3,(H,22,24)"	CC1CN=C(S1)N(CC2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)Cl	COYZVTPYDRTTPJ-UHFFFAOYSA-N
DG56049	"1-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)urea"	383652	"NSC672070; CHEMBL1970624; ZINC1856224; 1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)urea; NSC-672070; N-(4,6-Dimethyl-2-pyrimidinyl)-4-((((trifluoromethyl)amino)carbonyl)amino)benzenesulfonamide; NCI60_025566"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672070	.	.	.	.	389.36	C14H14F3N5O3S	122	578	1.2	26	3	9	4	"InChI=1S/C14H14F3N5O3S/c1-8-7-9(2)19-12(18-8)22-26(24,25)11-5-3-10(4-6-11)20-13(23)21-14(15,16)17/h3-7H,1-2H3,(H,18,19,22)(H2,20,21,23)"	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC(F)(F)F)C	KYYKFZMKHPTGLP-UHFFFAOYSA-N
DG56050	"Ethyl 2-ethoxy-3,3,3-trifluoro-2-(p-tolylcarbamoylamino)propanoate"	383654	"NSC672072; CHEMBL1964344; STL322405; AKOS022131321; MCULE-2293031938; NSC-672072; NCI60_025568; ethyl 2-ethoxy-3,3,3-trifluoro-2-(p-tolylcarbamoylamino)propanoate; Ethyl 2-ethoxy-3,3,3-trifluoro-2-((4-toluidinocarbonyl)amino)propanoate; ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-methylphenyl)carbamoyl]alaninate; 305866-52-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672072	.	.	.	.	348.32	C15H19F3N2O4	76.7	437	2.9	24	2	7	7	"InChI=1S/C15H19F3N2O4/c1-4-23-12(21)14(24-5-2,15(16,17)18)20-13(22)19-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3,(H2,19,20,22)"	CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=C(C=C1)C)OCC	ZYEKTXIDNGLXRD-UHFFFAOYSA-N
DG56051	"Ethyl 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate"	383655	"NSC672073; CHEMBL1995664; STL323035; AKOS022114152; MCULE-4118851827; NSC-672073; NCI60_025569; ethyl N-[(4-chlorophenyl)carbamoyl]-3,3,3-trifluoro-2-methoxyalaninate; Ethyl 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate; ethyl 2-[(4-chlorophenyl)carbamoylamino]-3,3,3-trifluoro-2-methoxy-propanoate; 354773-07-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672073	.	.	.	.	354.71	C13H14ClF3N2O4	76.7	428	2.8	23	2	7	6	"InChI=1S/C13H14ClF3N2O4/c1-3-23-10(20)12(22-2,13(15,16)17)19-11(21)18-9-6-4-8(14)5-7-9/h4-7H,3H2,1-2H3,(H2,18,19,21)"	CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=C(C=C1)Cl)OC	FVWDIFJPYUFGTJ-UHFFFAOYSA-N
DG56052	"Ethyl 2-((anilinocarbonyl)amino)-2-(3-chloroanilino)-3,3,3-trifluoropropanoate"	383660	"NSC672078; Ethyl 2-((anilinocarbonyl)amino)-2-(3-chloroanilino)-3,3,3-trifluoropropanoate; CHEMBL1982553; ethyl 2-(3-chloroanilino)-3,3,3-trifluoro-2-(phenylcarbamoylamino)propanoate; NSC-672078; NCI60_025574"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672078	.	.	.	.	415.8	C18H17ClF3N3O3	79.5	544	5.1	28	3	7	7	"InChI=1S/C18H17ClF3N3O3/c1-2-28-15(26)17(18(20,21)22,24-14-10-6-7-12(19)11-14)25-16(27)23-13-8-4-3-5-9-13/h3-11,24H,2H2,1H3,(H2,23,25,27)"	CCOC(=O)C(C(F)(F)F)(NC1=CC(=CC=C1)Cl)NC(=O)NC2=CC=CC=C2	XZMWITQCEZCTCO-UHFFFAOYSA-N
DG56053	"Ethyl 2-(benzoylamino)-2-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-3,3,3-trifluoropropanoate"	383663	"NSC672081; CHEMBL1971346; AKOS003318299; NSC-672081; Ethyl 2-(benzoylamino)-2-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-3,3,3-trifluoropropanoate; NCI60_025577; ethyl 2-benzamido-2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-3,3,3-trifluoro-propanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672081	.	.	.	.	551.5	C24H24F3N5O5S	148	907	4.7	38	3	12	10	"InChI=1S/C24H24F3N5O5S/c1-4-37-21(34)23(24(25,26)27,31-20(33)17-8-6-5-7-9-17)30-18-10-12-19(13-11-18)38(35,36)32-22-28-15(2)14-16(3)29-22/h5-14,30H,4H2,1-3H3,(H,31,33)(H,28,29,32)"	CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C)NC(=O)C3=CC=CC=C3	JSOJHHYESBAOPR-UHFFFAOYSA-N
DG56054	"Ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4-((2-pyrimidinylamino)sulfonyl)anilino)propanoate"	383665	"NSC672083; Ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4-((2-pyrimidinylamino)sulfonyl)anilino)propanoate; CHEMBL1975996; MCULE-6167353795; NSC-672083; ethyl 2-benzamido-3,3,3-trifluoro-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]propanoate; NCI60_025579; SR-01000505566; SR-01000505566-1; ethyl N-benzoyl-3,3,3-trifluoro-2-({4-[(pyrimidin-2-ylamino)sulfonyl]phenyl}amino)alaninate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672083	.	.	.	.	523.5	C22H20F3N5O5S	148	849	3.9	36	3	12	10	"InChI=1S/C22H20F3N5O5S/c1-2-35-19(32)21(22(23,24)25,29-18(31)15-7-4-3-5-8-15)28-16-9-11-17(12-10-16)36(33,34)30-20-26-13-6-14-27-20/h3-14,28H,2H2,1H3,(H,29,31)(H,26,27,30)"	CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)NC(=O)C3=CC=CC=C3	BDZXFPKNFTZOSC-UHFFFAOYSA-N
DG56055	"Ethyl 2-benzamido-2-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-3,3,3-trifluoro-propanoate"	383667	"NSC672085; CHEMBL1981583; NSC-672085; NCI60_025581; Benzeneacetic acid, alpha-(benzoylamino)-4-[[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl]-alpha-(trifluoromethyl)-, ethyl ester; ethyl 2-benzamido-2-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-3,3,3-trifluoro-propanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672085	.	.	.	.	525.5	C23H22F3N3O6S	136	883	4.2	36	2	11	9	"InChI=1S/C23H22F3N3O6S/c1-4-34-21(31)22(23(24,25)26,27-19(30)16-8-6-5-7-9-16)17-10-12-18(13-11-17)36(32,33)29-20-14(2)15(3)28-35-20/h5-13,29H,4H2,1-3H3,(H,27,30)"	CCOC(=O)C(C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NO2)C)C)(C(F)(F)F)NC(=O)C3=CC=CC=C3	WAIZHHOODAMWKP-UHFFFAOYSA-N
DG56056	"3,3,3-trifluoro-2-(trifluoromethyl)-N-[2,2,2-trifluoro-1-(4-sulfamoylanilino)-1-(trifluoromethyl)ethyl]propanamide"	383668	"NSC672086; CHEMBL1969567; ZINC73298328; NSC-672086; NCI60_025582; 3,3,3-trifluoro-2-(trifluoromethyl)-N-[2,2,2-trifluoro-1-(4-sulfamoylanilino)-1-(trifluoromethyl)ethyl]propanamide; N-(1-(4-(Aminosulfonyl)anilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672086	.	.	.	.	515.28	C13H9F12N3O3S	110	746	4.7	32	3	17	5	"InChI=1S/C13H9F12N3O3S/c14-9(15,16)7(10(17,18)19)8(29)28-11(12(20,21)22,13(23,24)25)27-5-1-3-6(4-2-5)32(26,30)31/h1-4,7,27H,(H,28,29)(H2,26,30,31)"	C1=CC(=CC=C1NC(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F)S(=O)(=O)N	ZENVHWHAHYMLHK-UHFFFAOYSA-N
DG56057	"((2,2,2-Trifluoro-1-(trifluoromethyl)-1-((3,3,3-trifluoro-2-(trifluoromethyl)propanoyl)amino)ethyl)thio)acetic acid"	383669	"NSC672087; ((2,2,2-Trifluoro-1-(trifluoromethyl)-1-((3,3,3-trifluoro-2-(trifluoromethyl)propanoyl)amino)ethyl)thio)acetic acid; CHEMBL1998051; STK367517; ZINC73404694; AKOS005443972; MCULE-9016058896; NSC-672087; NCI60_025583; [(1,1,1,3,3,3-hexafluoro-2-{[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino}propan-2-yl)sulfanyl]acetic acid; 2-[(2,2,2-trifluoro-1-(trifluoromethyl)-1-{[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino}ethyl)sulfanyl]acetic acid; 2-[2,2,2-trifluoro-1-(trifluoromethyl)-1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]ethyl]sulfanylacetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672087	.	.	.	.	435.19	C9H5F12NO3S	91.7	506	4.2	26	2	16	5	"InChI=1S/C9H5F12NO3S/c10-5(11,12)3(6(13,14)15)4(25)22-7(8(16,17)18,9(19,20)21)26-1-2(23)24/h3H,1H2,(H,22,25)(H,23,24)"	C(C(=O)O)SC(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F	SFULCKVVPKDWKO-UHFFFAOYSA-N
DG56058	NSC672089	383671	"3,3,3-trifluoro-2-(trifluoromethyl)-N-[2,2,2-trifluoro-1-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}anilino)-1-(trifluoromethyl)ethyl]propanamide; NSC672089; MLS000547518; CHEMBL1517116; HMS2309N21; ZINC8681148; NSC-672089; NCI60_025585; SMR000113331; 3,3,3-trifluoro-2-(trifluoromethyl)-N-[2,2,2-trifluoro-1-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}anilino)-1-(trifluoromethyl)ethyl]propanamide; 3,3,3-trifluoro-2-(trifluoromethyl)-N-[2,2,2-trifluoro-1-[4-[(5-methylisoxazol-3-yl)sulfamoyl]anilino]-1-(trifluoromethyl)ethyl]propanamide; Propanamide, 3,3,3-trifluoro-2-(trifluoromethyl)-N-[2,2,2-trifluoro-1-[[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]amino]-1-(trifluoromethyl)ethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672089	.	.	.	.	596.3	C17H12F12N4O4S	122	909	5.8	38	3	19	7	"InChI=1S/C17H12F12N4O4S/c1-7-6-10(32-37-7)33-38(35,36)9-4-2-8(3-5-9)30-15(16(24,25)26,17(27,28)29)31-12(34)11(13(18,19)20)14(21,22)23/h2-6,11,30H,1H3,(H,31,34)(H,32,33)"	CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F	CNDXTSFATZIFGG-UHFFFAOYSA-N
DG56059	"Ethyl 2-(2,4-difluoroanilino)-3,3,3-trifluoro-2-propionamidopropionate"	383672	"NSC672090; CHEMBL1970268; ethyl 2-(2,4-difluoroanilino)-3,3,3-trifluoro-2-(propanoylamino)propanoate; Ethyl 2-(2,4-difluoroanilino)-3,3,3-trifluoro-2-(propionylamino)propanoate; Ethyl 2-(2,4-difluoroanilino)-3,3,3-trifluoro-2-propionamidopropionate; NSC-672090; NCI60_025586; Ethyl 2-(2,4-difluoroanilino)-3,3,3-trifluoro-2-(propionylamino)propanoate #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672090	.	.	.	.	354.27	C14H15F5N2O3	67.4	460	3.8	24	2	9	7	"InChI=1S/C14H15F5N2O3/c1-3-11(22)21-13(14(17,18)19,12(23)24-4-2)20-10-6-5-8(15)7-9(10)16/h5-7,20H,3-4H2,1-2H3,(H,21,22)"	CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=C(C=C(C=C1)F)F	WUWDHQPLLZPRAK-UHFFFAOYSA-N
DG56060	"Ethyl 2-acetamido-3,3,3-trifluoro-2-(4-fluoroanilino)propionate"	383681	"NSC672099; MLS000038601; CHEMBL1468813; HMS2281B20; ethyl 2-acetamido-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate; Ethyl 2-acetamido-3,3,3-trifluoro-2-(4-fluoroanilino)propionate; STL323004; AKOS003311216; MCULE-1123786247; NSC-672099; NCI60_025595; SMR000038148; ethyl N-acetyl-3,3,3-trifluoro-2-[(4-fluorophenyl)amino]alaninate; Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate; Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate #; 328270-12-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672099	.	.	.	.	322.25	C13H14F4N2O3	67.4	409	3.2	22	2	8	6	"InChI=1S/C13H14F4N2O3/c1-3-22-11(21)12(13(15,16)17,18-8(2)20)19-10-6-4-9(14)5-7-10/h4-7,19H,3H2,1-2H3,(H,18,20)"	CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)F)NC(=O)C	VDIPNGWREPJZLR-UHFFFAOYSA-N
DG56061	2-Amino-12-phosphonododecanoic acid	383686	NSC672106; 2-Amino-12-phosphonododecanoic acid; CHEMBL1996668; 2-amino-12-phosphono-dodecanoic acid; NSC-672106; NCI60_025602	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672106	.	.	.	.	295.31	C12H26NO5P	121	292	-1.1	19	4	6	12	"InChI=1S/C12H26NO5P/c13-11(12(14)15)9-7-5-3-1-2-4-6-8-10-19(16,17)18/h11H,1-10,13H2,(H,14,15)(H2,16,17,18)"	C(CCCCCP(=O)(O)O)CCCCC(C(=O)O)N	UGHQIHAHHYECCO-UHFFFAOYSA-N
DG56062	1-[2-[2-(chloromethyl)phenyl]ethyl]-5-nitro-2H-indazol-3-one	383720	"NSC672149; CHEMBL1996295; 1-[2-[2-(chloromethyl)phenyl]ethyl]-5-nitro-2H-indazol-3-one; ZINC6513860; NSC-672149; NCI60_025634; 1-[2-(Chloromethyl)phenethyl]-5-nitro-1H-indazol-3-ol; 1-(2-(2-(Chloromethyl)phenyl)ethyl)-5-(hydroxy(oxido)amino)-1,2-dihydro-3H-indazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672149	.	.	.	.	331.75	C16H14ClN3O3	78.2	456	3.5	23	1	4	4	"InChI=1S/C16H14ClN3O3/c17-10-12-4-2-1-3-11(12)7-8-19-15-6-5-13(20(22)23)9-14(15)16(21)18-19/h1-6,9H,7-8,10H2,(H,18,21)"	C1=CC=C(C(=C1)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2)CCl	WLNDXQBEGWXQJH-UHFFFAOYSA-N
DG56063	"2-nitro-7,12-dihydro-6H-indazolo[2,1-b][2,3]benzodiazepin-14-one"	383721	"NSC672150; CHEMBL1969885; ZINC1856336; 2-nitro-7,12-dihydro-6H-indazolo[2,1-b][2,3]benzodiazepin-14-one; NSC-672150; NCI60_025635; 2-(Hydroxy(oxido)amino)-7,12-dihydro-6H,14H-indazolo[2,1-b][2,3]benzodiazepin-14-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672150	.	.	.	.	295.29	C16H13N3O3	69.4	478	2.8	22	0	4	0	"InChI=1S/C16H13N3O3/c20-16-14-9-13(19(21)22)5-6-15(14)17-8-7-11-3-1-2-4-12(11)10-18(16)17/h1-6,9H,7-8,10H2"	C1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CC4=CC=CC=C41	QDEKYBKEUURNPN-UHFFFAOYSA-N
DG56064	5-[5-(5-Formyl-2-thienyl)-4-nonyl-2-thienyl]thiophene-2-carbaldehyde	383728	"NSC672157; CHEMBL1984331; [2,2':5',2''-Terthiophene]-5,5''-dicarboxaldehyde, 3'-nonyl-; NSC-672157; NCI60_025642; 5-[5-(5-formyl-2-thienyl)-4-nonyl-2-thienyl]thiophene-2-carbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672157	.	.	.	.	430.7	C23H26O2S3	119	487	8.5	28	0	5	12	"InChI=1S/C23H26O2S3/c1-2-3-4-5-6-7-8-9-17-14-22(20-12-10-18(15-24)26-20)28-23(17)21-13-11-19(16-25)27-21/h10-16H,2-9H2,1H3"	CCCCCCCCCC1=C(SC(=C1)C2=CC=C(S2)C=O)C3=CC=C(S3)C=O	JVKIVXFKFSYRTM-UHFFFAOYSA-N
DG56065	"2-Thiophenecarboxaldehyde, 5-[5-[5-(hydroxymethyl)-2-thienyl]-2-furanyl]-"	383733	"NSC672170; CHEMBL1974058; NSC-672170; NCI60_025647; 2-Thiophenecarboxaldehyde, 5-[5-[5-(hydroxymethyl)- 2-thienyl]-2-furanyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672170	.	.	.	.	290.4	C14H10O3S2	107	326	2.7	19	1	5	4	"InChI=1S/C14H10O3S2/c15-7-9-1-5-13(18-9)11-3-4-12(17-11)14-6-2-10(8-16)19-14/h1-7,16H,8H2"	C1=C(SC(=C1)C2=CC=C(O2)C3=CC=C(S3)C=O)CO	RPMXZAKYUQBPGO-UHFFFAOYSA-N
DG56066	3-[6-(3-Methylbut-2-enylamino)purin-9-yl]propanenitrile	383738	"NSC672176; 1H-Purin-6-amine, N-(3-methyl-2-butenyl)-9-(2-cyanoethyl)-; CHEMBL1991106; 3-[6-(3-methylbut-2-enylamino)purin-9-yl]propanenitrile; 3-(6-((3-Methyl-2-butenyl)amino)-9H-purin-9-yl)propanenitrile; NSC-672176; NCI60_025649"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672176	.	.	.	.	256.31	C13H16N6	79.4	367	1.7	19	1	5	5	"InChI=1S/C13H16N6/c1-10(2)4-6-15-12-11-13(17-8-16-12)19(9-18-11)7-3-5-14/h4,8-9H,3,6-7H2,1-2H3,(H,15,16,17)"	CC(=CCNC1=C2C(=NC=N1)N(C=N2)CCC#N)C	VWDAYOHDHUOCLA-UHFFFAOYSA-N
DG56067	Tert-butyl 3-[6-(3-methylbut-2-enylamino)purin-9-yl]propanoate	383739	"NSC672177; 1H-Purin-6-amine, N-(3-methyl-2-butenyl)-9-(2-carbo-t-butoxyethyl)-; CHEMBL1972078; tert-butyl 3-[6-(3-methylbut-2-enylamino)purin-9-yl]propanoate; ZINC1856375; tert-Butyl 3-(6-((3-methyl-2-butenyl)amino)-9H-purin-9-yl)propanoate; NSC-672177; NCI60_025650"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672177	.	.	.	.	331.4	C17H25N5O2	81.9	456	2.6	24	1	6	8	"InChI=1S/C17H25N5O2/c1-12(2)6-8-18-15-14-16(20-10-19-15)22(11-21-14)9-7-13(23)24-17(3,4)5/h6,10-11H,7-9H2,1-5H3,(H,18,19,20)"	CC(=CCNC1=C2C(=NC=N1)N(C=N2)CCC(=O)OC(C)(C)C)C	SGEFAZIYGDXSDA-UHFFFAOYSA-N
DG56068	"(6-Bromo-1,3-benzodioxol-5-yl)(4-morpholinyl)acetonitrile"	383755	"NSC672197; CHEMBL1995610; (6-Bromo-1,3-benzodioxol-5-yl)(4-morpholinyl)acetonitrile; NSC-672197; NCI60_025670; 2-(6-bromo-1,3-benzodioxol-5-yl)-2-morpholino-acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672197	.	.	.	.	325.16	C13H13BrN2O3	54.7	366	1.9	19	0	5	2	"InChI=1S/C13H13BrN2O3/c14-10-6-13-12(18-8-19-13)5-9(10)11(7-15)16-1-3-17-4-2-16/h5-6,11H,1-4,8H2"	C1COCCN1C(C#N)C2=CC3=C(C=C2Br)OCO3	ODPNTXXHNRHJJY-UHFFFAOYSA-N
DG56069	"17-Ethyl-4-methoxytetracyclo[8.4.4.01,10.03,8]octadeca-3(8),4,6,12,16-pentaene-2,9,11,14-tetrone"	383757	"NSC672199; ethyl(methoxy)[ ]tetrone; CHEMBL1993007; NSC-672199; NCI60_025672; 4a,9a-[2]Butenoanthracene-1,4,9,10-tetrone, 12-ethyl-5-methoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672199	.	.	.	.	350.4	C21H18O5	77.5	775	2.3	26	0	5	2	"InChI=1S/C21H18O5/c1-3-12-9-10-20-15(22)7-8-16(23)21(20,11-12)18(24)13-5-4-6-14(26-2)17(13)19(20)25/h4-9H,3,10-11H2,1-2H3"	CCC1=CCC23C(=O)C=CC(=O)C2(C1)C(=O)C4=C(C3=O)C(=CC=C4)OC	QHNGSXZENGBSRH-UHFFFAOYSA-N
DG56070	"2-Oxido-3,4-bis(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)-1,2,5-oxadiazol-2-ium"	383766	"NSC672210; CHEMBL1982794; NSC-672210; NCI60_025680; 4,4''-Diphenyl-3,3':4',3''-ter[1,2,5-oxadiazole]2,2',2''-trioxide; 2-oxido-3,4-bis(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)-1,2,5-oxadiazol-2-ium; 3,3':4',3''-Ter-1,2,5-oxadiazole, 4,4''-diphenyl-, 2,2',2''-trioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672210	.	.	.	.	406.3	C18H10N6O6	141	788	3.5	30	0	10	3	InChI=1S/C18H10N6O6/c25-22-16(13(19-28-22)11-7-3-1-4-8-11)15-18(24(27)30-21-15)17-14(20-29-23(17)26)12-9-5-2-6-10-12/h1-10H	C1=CC=C(C=C1)C2=NO[N+](=O)C2=C3C(=NON3[O-])C4=[N+](ON=C4C5=CC=CC=C5)[O-]	VJRYFZKGWPPSFC-UHFFFAOYSA-N
DG56071	3-[2-[[2-(3-Cyanoanilino)phenyl]disulfanyl]anilino]benzonitrile	383771	NSC672215; CHEMBL1990318; 3-(2-((2-(3-Cyanoanilino)phenyl)dithio)anilino)benzonitrile; 3-[2-[[2-(3-cyanoanilino)phenyl]disulfanyl]anilino]benzonitrile; NSC-672215; NCI60_025685	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672215	.	.	.	.	450.6	C26H18N4S2	122	624	6.5	32	2	6	7	"InChI=1S/C26H18N4S2/c27-17-19-7-5-9-21(15-19)29-23-11-1-3-13-25(23)31-32-26-14-4-2-12-24(26)30-22-10-6-8-20(16-22)18-28/h1-16,29-30H"	C1=CC=C(C(=C1)NC2=CC=CC(=C2)C#N)SSC3=CC=CC=C3NC4=CC=CC(=C4)C#N	BJQOPCUTOBUGRG-UHFFFAOYSA-N
DG56072	"6,7,8'-Tris(dimethylamino)spiro[1,2-dihydrophenalene-3,4'-naphthalene]-1'-one"	383780	"NSC672227; CHEMBL2006082; STK806155; AKOS001766627; MCULE-1867169191; NSC-672227; 5,6',7'-tris(dimethylamino)-2',3'-dihydro-4H-spiro[naphthalene-1,1'-phenalen]-4-one; 6,7,8'-tris(dimethylamino)spiro[1,2-dihydrophenalene-3,4'-naphthalene]-1'-one; NCI60_025694; 5',6,7-Tris(dimethylamino)-2,3-dihydrospiro[1H-phenalene-1,1'(4'H)-naphthalen]-4'-one; Spiro[naphthalene-1(4H),1'-[1H]phenalen]-4-one, 5,6',7'-tris(dimethylamino)-2',3'-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672227	.	.	.	.	425.6	C28H31N3O	26.8	745	5.9	32	0	4	3	"InChI=1S/C28H31N3O/c1-29(2)21-9-7-8-19-26(21)24(32)15-17-28(19)16-14-18-10-12-22(30(3)4)27-23(31(5)6)13-11-20(28)25(18)27/h7-13,15,17H,14,16H2,1-6H3"	CN(C)C1=C2C(=CC=C3C2=C(CCC34C=CC(=O)C5=C4C=CC=C5N(C)C)C=C1)N(C)C	BUCXQKQWSZDMOG-UHFFFAOYSA-N
DG56073	"6,7,8'-Tris(dimethylamino)-1,2-diphenylspiro[1,2-dihydrophenalene-3,4'-naphthalene]-1'-one"	383781	"NSC672228; CHEMBL1992191; NSC-672228; NCI60_025695; 6,7,8'-tris(dimethylamino)-1,2-diphenyl-spiro[1,2-dihydrophenalene-3,4'-naphthalene]-1'-one; Spiro[naphthalene-1(4H),1'-[1H]phenalen]-4-one, 5,6',7'-tris(dimethylamino)-2',3'-dihydro-2',3'-diphenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672228	.	.	.	.	577.8	C40H39N3O	26.8	1040	8.5	44	0	4	5	"InChI=1S/C40H39N3O/c1-41(2)31-19-13-18-29-37(31)34(44)24-25-40(29)30-21-23-33(43(5)6)38-32(42(3)4)22-20-28(36(30)38)35(26-14-9-7-10-15-26)39(40)27-16-11-8-12-17-27/h7-25,35,39H,1-6H3"	CN(C)C1=C2C(=CC=C3C2=C(C=C1)C(C(C34C=CC(=O)C5=C4C=CC=C5N(C)C)C6=CC=CC=C6)C7=CC=CC=C7)N(C)C	GUVWPRTVRQTUFV-UHFFFAOYSA-N
DG56074	"9-Chloro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one"	383785	"NSC672232; CHEMBL98153; 9-Chloro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one; 9-chloropaullone; Paullone Analog 6; BDBM7267; SCHEMBL5688188; 9-chloro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one; ZINC1856444; NSC 672232; NSC-672232; NCI60_025699; 14-chloro-8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672232	.	.	.	.	282.72	C16H11ClN2O	44.9	402	3.2	20	2	1	0	"InChI=1S/C16H11ClN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)"	C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)Cl	OKMGGPIYQLLQFZ-UHFFFAOYSA-N
DG56075	"10-Bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one"	383787	"NSC672234; CHEMBL98554; 10-bromopaullone; Paullone Analog 15; BDBM7276; SCHEMBL5688213; 10-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one; 10-Bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one; ZINC1856446; NSC 672234; NCI60_025701; 7,12-Dihydro-10-bromoindolo[3,2-d][1]benzazepine-6(5H)-one; 15-bromo-8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672234	.	.	.	.	327.17	C16H11BrN2O	44.9	402	3.3	20	2	1	0	"InChI=1S/C16H11BrN2O/c17-9-5-6-10-12-8-15(20)18-13-4-2-1-3-11(13)16(12)19-14(10)7-9/h1-7,19H,8H2,(H,18,20)"	C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=CC(=C4)Br	IGYURNWXVFOIOW-UHFFFAOYSA-N
DG56076	"1,10-Dimethyl-4-(methylthio)-3-phenyl-1,10-dihydropyrazolo[3,4-b][1,5]benzodiazepine"	383801	"NSC672304; CHEMBL1975209; ZINC1856462; NSC-672304; 1,10-Dimethyl-4-(methylthio)-3-phenyl-1,10-dihydropyrazolo[3,4-b][1,5]benzodiazepine; NCI60_025711; 1,10-Dimethyl-3-phenyl-1,10-dihydropyrazolo[3,4-b][1,5]benzodiazepin-4-yl methyl sulfide; 1,10-dimethyl-4-methylsulfanyl-3-phenyl-pyrazolo[3,4-b][1,5]benzodiazepine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672304	.	.	.	.	334.4	C19H18N4S	58.7	476	4	24	0	4	2	"InChI=1S/C19H18N4S/c1-22-15-12-8-7-11-14(15)20-18(24-3)16-17(21-23(2)19(16)22)13-9-5-4-6-10-13/h4-12H,1-3H3"	CN1C2=CC=CC=C2N=C(C3=C1N(N=C3C4=CC=CC=C4)C)SC	WZMNFVIYQRHNTJ-UHFFFAOYSA-N
DG56077	"9-Ethyl-3-methyl-12-phenyl-9,10-dihydropyrazolo[4,3-c][1,2,4]triazolo[4,3-a][1,5]benzodiazepine"	383802	"NSC672305; ethyl-methyl-phenyl-[ ]; CHEMBL1967287; NSC-672305; 9-Ethyl-3-methyl-12-phenyl-9,10-dihydropyrazolo[4,3-c][1,2,4]triazolo[4,3-a][1,5]benzodiazepine; NCI60_025712"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672305	.	.	.	.	342.4	C20H18N6	62.6	495	4.3	26	1	4	2	"InChI=1S/C20H18N6/c1-3-25-15-11-7-8-12-16(15)26-13(2)21-24-20(26)17-18(22-23-19(17)25)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3,(H,22,23)"	CCN1C2=CC=CC=C2N3C(=NN=C3C4=C(NN=C41)C5=CC=CC=C5)C	RCHBGWDCBBTEBV-UHFFFAOYSA-N
DG56078	"10-Ethyl-9-methyl-3,12-diphenyl-9,10-dihydropyrazolo[4,3-c][1,2,4]triazolo[4,3-a][1,5]benzodiazepine"	383803	"NSC672306; ethyl-methyl-diphenyl-[ ]; CHEMBL2003848; NSC-672306; 10-Ethyl-9-methyl-3,12-diphenyl-9,10-dihydropyrazolo[4,3-c][1,2,4]triazolo[4,3-a][1,5]benzodiazepine; NCI60_025713"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672306	.	.	.	.	418.5	C26H22N6	51.8	632	5.6	32	0	4	3	"InChI=1S/C26H22N6/c1-3-31-26-22(23(29-31)18-12-6-4-7-13-18)25-28-27-24(19-14-8-5-9-15-19)32(25)21-17-11-10-16-20(21)30(26)2/h4-17H,3H2,1-2H3"	CCN1C2=C(C(=N1)C3=CC=CC=C3)C4=NN=C(N4C5=CC=CC=C5N2C)C6=CC=CC=C6	WCZMZQJLAATVOR-UHFFFAOYSA-N
DG56079	"4-[2-[2-(1,2,3,4-Tetrahydrocarbazol-9-yl)ethoxy]ethyl]morpholine"	383806	"NSC672342; CHEMBL1979982; 4-[2-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]ethyl]morpholine; 9-(2-(2-(4-Morpholinyl)ethoxy)ethyl)-2,3,4,9-tetrahydro-1H-carbazole; NSC-672342; NCI60_025715; 9-[2-(2-Morpholinoethoxy)ethyl]-1,2,3,4-tetrahydro-9H-carbazole; 2-(4-Morpholinyl)ethyl 2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672342	.	.	.	.	328.4	C20H28N2O2	26.6	386	2.7	24	0	3	6	"InChI=1S/C20H28N2O2/c1-3-7-19-17(5-1)18-6-2-4-8-20(18)22(19)12-16-24-15-11-21-9-13-23-14-10-21/h1,3,5,7H,2,4,6,8-16H2"	C1CCC2=C(C1)C3=CC=CC=C3N2CCOCCN4CCOCC4	FKRKRHIPSUIIKR-UHFFFAOYSA-N
DG56080	"2-(5-Bromo-6-formyl-3-methyl-2,4-dioxopyrimidin-1-yl)ethyl nitrate"	383812	NSC672424; CHEMBL1967078; ZINC1856474; NSC-672424; NCI60_025721	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672424	.	.	.	.	322.07	C8H8BrN3O6	113	443	0.2	18	0	6	4	"InChI=1S/C8H8BrN3O6/c1-10-7(14)6(9)5(4-13)11(8(10)15)2-3-18-12(16)17/h4H,2-3H2,1H3"	CN1C(=O)C(=C(N(C1=O)CCO[N+](=O)[O-])C=O)Br	PAQINCGATKGYNM-UHFFFAOYSA-N
DG56081	NSC672434	383818	"9H-fluoren-9-ylmethyl N-[1-[2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-5-(tert-butoxycarbonylamino)pentyl]carbamate; NSC672434; CHEMBL1998086; NSC-672434; NCI60_025728; 9H-fluoren-9-ylmethyl N-[1-[2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-5-(tert-butoxycarbonylamino)pentyl]carbamate; Glycinamide, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]lysylprolyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672434	.	.	.	.	621.7	C33H43N5O7	169	1040	3.2	45	4	7	15	"InChI=1S/C33H43N5O7/c1-33(2,3)45-31(42)35-17-9-8-15-26(30(41)38-18-10-16-27(38)29(40)36-19-28(34)39)37-32(43)44-20-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25/h4-7,11-14,25-27H,8-10,15-20H2,1-3H3,(H2,34,39)(H,35,42)(H,36,40)(H,37,43)"	CC(C)(C)OC(=O)NCCCCC(C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24	RNVVFPQNNZBDMQ-UHFFFAOYSA-N
DG56082	NSC672435	383819	9H-Fluoren-9-ylmethyl 2-((1-((2-(((2-amino-2-oxoethyl)amino)carbonyl)-1-pyrrolidinyl)carbonyl)-5-((tert-butoxycarbonyl)amino)pentyl)amino)-1-(1H-indol-3-ylmethyl)-2-oxoethylcarbamate; NSC672435; CHEMBL1995105; NSC-672435; NCI60_025729; 9H-Fluoren-9-ylmethyl 2-((1-((2-(((2-amino-2-oxoethyl)amino)carbonyl)-1-pyrrolidinyl)carbonyl)-5-((tert-butoxycarbonyl)amino)pentyl)amino)-1-(1H-indol-3-ylmethyl)-2-oxoethylcarbamate; 9H-fluoren-9-ylmethyl N-[2-[[1-[2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-5-(tert-butoxycarbonylamino)pentyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672435	.	.	.	.	807.9	C44H53N7O8	214	1470	4.7	59	6	8	19	"InChI=1S/C44H53N7O8/c1-44(2,3)59-42(56)46-21-11-10-19-35(41(55)51-22-12-20-37(51)40(54)48-25-38(45)52)49-39(53)36(23-27-24-47-34-18-9-8-13-28(27)34)50-43(57)58-26-33-31-16-6-4-14-29(31)30-15-5-7-17-32(30)33/h4-9,13-18,24,33,35-37,47H,10-12,19-23,25-26H2,1-3H3,(H2,45,52)(H,46,56)(H,48,54)(H,49,53)(H,50,57)"	CC(C)(C)OC(=O)NCCCCC(C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46	HGEAPJQFWJZLFY-UHFFFAOYSA-N
DG56083	"Hydroxy(((2,2,5,5-tetramethylcyclopentyl)carbonyl)amino)acetic acid"	383825	"NSC672442; CHEMBL1992820; Hydroxy(((2,2,5,5-tetramethylcyclopentyl)carbonyl)amino)acetic acid; 2-hydroxy-2-[(2,2,5,5-tetramethylcyclopentanecarbonyl)amino]acetic acid; NSC-672442; NCI60_025736"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672442	.	.	.	.	243.3	C12H21NO4	86.6	319	1.8	17	3	4	3	"InChI=1S/C12H21NO4/c1-11(2)5-6-12(3,4)7(11)8(14)13-9(15)10(16)17/h7,9,15H,5-6H2,1-4H3,(H,13,14)(H,16,17)"	CC1(CCC(C1C(=O)NC(C(=O)O)O)(C)C)C	CQOJIXXJTWIFET-UHFFFAOYSA-N
DG56084	NSC672446	383829	"Benzyl 3-(benzyloxycarbonylamino)-4-[[2-isopropoxy-2-oxo-1-[(2,2,5,5-tetramethylcyclopentanecarbonyl)amino]ethyl]amino]-4-oxo-butanoate; NSC672446; CHEMBL1981430; NSC-672446; NCI60_025740; Benzyl 3-(((benzyloxy)carbonyl)amino)-4-((2-isopropoxy-2-oxo-1-(((2,2,5,5-tetramethylcyclopentyl)carbonyl)amino)ethyl)amino)-4-oxobutanoate; benzyl 3-(benzyloxycarbonylamino)-4-[[2-isopropoxy-2-oxo-1-[(2,2,5,5-tetramethylcyclopentanecarbonyl)amino]ethyl]amino]-4-oxo-butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672446	.	.	.	.	623.7	C34H45N3O8	149	1010	5.5	45	3	8	16	"InChI=1S/C34H45N3O8/c1-22(2)45-31(41)28(37-30(40)27-33(3,4)17-18-34(27,5)6)36-29(39)25(19-26(38)43-20-23-13-9-7-10-14-23)35-32(42)44-21-24-15-11-8-12-16-24/h7-16,22,25,27-28H,17-21H2,1-6H3,(H,35,42)(H,36,39)(H,37,40)"	CC(C)OC(=O)C(NC(=O)C1C(CCC1(C)C)(C)C)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3	YQDJINVMOUEKLQ-UHFFFAOYSA-N
DG56085	"3-Benzoyl-4-(4-(benzyloxy)benzyl)-2-phenyl-1,3-oxazolidin-5-one"	383832	"NSC672449; CHEMBL1964580; 3-Benzoyl-4-(4-(benzyloxy)benzyl)-2-phenyl-1,3-oxazolidin-5-one; NSC-672449; NCI60_025743; 3-benzoyl-4-[(4-benzyloxyphenyl)methyl]-2-phenyl-oxazolidin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672449	.	.	.	.	463.5	C30H25NO4	55.8	685	6.2	35	0	4	7	"InChI=1S/C30H25NO4/c32-28(24-12-6-2-7-13-24)31-27(30(33)35-29(31)25-14-8-3-9-15-25)20-22-16-18-26(19-17-22)34-21-23-10-4-1-5-11-23/h1-19,27,29H,20-21H2"	C1=CC=C(C=C1)COC2=CC=C(C=C2)CC3C(=O)OC(N3C(=O)C4=CC=CC=C4)C5=CC=CC=C5	PQYKHUFXGSMFST-UHFFFAOYSA-N
DG56086	6-(tert-butoxycarbonylamino)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid	383837	NSC672453; CHEMBL1980622; NSC-672453; NCI60_025747; 6-(tert-butoxycarbonylamino)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid; N~6~-(tert-Butoxycarbonyl)-N~2~-(2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoyl)lysine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672453	.	.	.	.	654.8	C37H42N4O7	159	1090	5.9	48	5	7	16	"InChI=1S/C37H42N4O7/c1-37(2,3)48-35(45)38-19-11-10-18-31(34(43)44)40-33(42)32(20-23-21-39-30-17-9-8-12-24(23)30)41-36(46)47-22-29-27-15-6-4-13-25(27)26-14-5-7-16-28(26)29/h4-9,12-17,21,29,31-32,39H,10-11,18-20,22H2,1-3H3,(H,38,45)(H,40,42)(H,41,46)(H,43,44)"	CC(C)(C)OC(=O)NCCCCC(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35	XVPMCOPXSGWHBE-UHFFFAOYSA-N
DG56087	benzyl 2-[[3-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanoate	383838	NSC672454; CHEMBL1993128; NSC-672454; NCI60_025748; Benzyl 2-((3-tert-butoxy-2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)butanoyl)amino)-3-phenylpropanoate; benzyl 2-[[3-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672454	.	.	.	.	634.8	C39H42N2O6	103	993	7.1	47	2	6	15	"InChI=1S/C39H42N2O6/c1-26(47-39(2,3)4)35(41-38(44)46-25-33-31-21-13-11-19-29(31)30-20-12-14-22-32(30)33)36(42)40-34(23-27-15-7-5-8-16-27)37(43)45-24-28-17-9-6-10-18-28/h5-22,26,33-35H,23-25H2,1-4H3,(H,40,42)(H,41,44)"	CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC(C)(C)C	YOOLJUIABWGTAR-UHFFFAOYSA-N
DG56088	Benzyl 2-(((1-((2-((tert-butoxycarbonyl)amino)-3-phenylpropanoyl)(methyl)amino)cyclopentyl)carbonyl)amino)-3-phenylpropanoate	383841	NSC672457; CHEMBL1985266; NSC-672457; NCI60_025751; Benzyl 2-(((1-((2-((tert-butoxycarbonyl)amino)-3-phenylpropanoyl)(methyl)amino)cyclopentyl)carbonyl)amino)-3-phenylpropanoate; benzyl 2-[[1-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]-methyl-amino]cyclopentanecarbonyl]amino]-3-phenyl-propanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672457	.	.	.	.	627.8	C37H45N3O6	114	1000	6.3	46	2	6	15	"InChI=1S/C37H45N3O6/c1-36(2,3)46-35(44)39-30(24-27-16-8-5-9-17-27)32(41)40(4)37(22-14-15-23-37)34(43)38-31(25-28-18-10-6-11-19-28)33(42)45-26-29-20-12-7-13-21-29/h5-13,16-21,30-31H,14-15,22-26H2,1-4H3,(H,38,43)(H,39,44)"	CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N(C)C2(CCCC2)C(=O)NC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4	FHYUDIJFVHEPML-UHFFFAOYSA-N
DG56089	"2,3-Dihydro-6-(aziridin-1-yl)-7-methoxy-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione"	383842	"NSC672472; CHEMBL137523; NSC-672472; NCI60_025758; 2,3-Dihydro-6-(aziridin-1-yl)-7-methoxy-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672472	.	.	.	.	259.26	C13H13N3O3	64.2	497	0.9	19	0	5	2	"InChI=1S/C13H13N3O3/c1-19-13-10(15-5-6-15)11(17)8-9(12(13)18)16-4-2-3-7(16)14-8/h2-6H2,1H3"	COC1=C(C(=O)C2=C(C1=O)N3CCCC3=N2)N4CC4	GWZWHLZMISGGFG-UHFFFAOYSA-N
DG56090	"2-Amino-4,5-dibenzyloxy-benzaldehyde"	383866	"NSC672647; 89004-63-7; CHEMBL1965509; DTXSID70327630; 2-amino-4,5-dibenzyloxy-benzaldehyde; NSC-672647; 2-Amino-4,5-bis(benzyloxy)benzaldehyde; NCI60_025774"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672647	.	.	.	.	333.4	C21H19NO3	61.6	391	4.2	25	1	4	7	"InChI=1S/C21H19NO3/c22-19-12-21(25-15-17-9-5-2-6-10-17)20(11-18(19)13-23)24-14-16-7-3-1-4-8-16/h1-13H,14-15,22H2"	C1=CC=C(C=C1)COC2=C(C=C(C(=C2)C=O)N)OCC3=CC=CC=C3	KYFFEDBBVGGFNA-UHFFFAOYSA-N
DG56091	NSC672652	383872	"2-[[2-[[2-[[2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]-3-tert-butoxy-butanoyl]amino]-3-phenyl-propanoic acid; NSC672652; CHEMBL1989083; NSC-672652; NCI60_025777; 2-[[2-[[2-[[2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]-3-tert-butoxy-butanoyl]amino]-3-phenyl-propanoic acid; 5,17-Dibenzyl-11-(4-((tert-butoxycarbonyl)amino)butyl)-14-(1-tert-butoxyethyl)-8-(1H-indol-3-ylmethyl)-3,6,9,12,15-pentaoxo-1-phenyl-2-oxa-4,7,10,13,16-pentaazaoctadecan-18-oic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672652	.	.	.	.	1018.2	C56H71N7O11	255	1800	7.6	74	8	11	29	"InChI=1S/C56H71N7O11/c1-36(73-55(2,3)4)47(51(67)61-46(52(68)69)32-38-23-13-9-14-24-38)63-48(64)43(29-19-20-30-57-53(70)74-56(5,6)7)59-50(66)45(33-40-34-58-42-28-18-17-27-41(40)42)60-49(65)44(31-37-21-11-8-12-22-37)62-54(71)72-35-39-25-15-10-16-26-39/h8-18,21-28,34,36,43-47,58H,19-20,29-33,35H2,1-7H3,(H,57,70)(H,59,66)(H,60,65)(H,61,67)(H,62,71)(H,63,64)(H,68,69)"	CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)OC(C)(C)C	SQLOCBKJJCGYMB-UHFFFAOYSA-N
DG56092	N'-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-4-carbohydrazide	383894	NSC672805; CHEMBL1999869; N'-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-4-carbohydrazide; NSC-672805; NCI60_025800; 2'-[1-(3-Trifluoromethylphenyl)ethyl]isonicotinohydrazide; N'-[alpha-Methyl-3-(trifluoromethyl)benzyl]isonicotinic hydrazide; (4E)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-4-carbohydrazonic acid; 2-Aza-1-(4-pyridyl)-2-(((3-(trifluoromethyl)phenyl)ethyl)amino)ethen-1-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672805	.	.	.	.	309.29	C15H14F3N3O	54	370	2.7	22	2	6	4	"InChI=1S/C15H14F3N3O/c1-10(12-3-2-4-13(9-12)15(16,17)18)20-21-14(22)11-5-7-19-8-6-11/h2-10,20H,1H3,(H,21,22)"	CC(C1=CC(=CC=C1)C(F)(F)F)NNC(=O)C2=CC=NC=C2	HOLGGBLXWXDABY-UHFFFAOYSA-N
DG56093	"7,8-Dimethoxy-3-methyl-1-vinyl-1,3,4,5-tetrahydro-2,3-benzoxazepine"	383920	"NSC672876; CHEMBL1983180; 7,8-Dimethoxy-3-methyl-1-vinyl-1,3,4,5-tetrahydro-2,3-benzoxazepine; NSC-672876; NCI60_025820; 7,8-dimethoxy-3-methyl-1-vinyl-4,5-dihydro-1H-2,3-benzoxazepine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672876	.	.	.	.	249.3	C14H19NO3	30.9	284	2.6	18	0	4	3	"InChI=1S/C14H19NO3/c1-5-12-11-9-14(17-4)13(16-3)8-10(11)6-7-15(2)18-12/h5,8-9,12H,1,6-7H2,2-4H3"	CN1CCC2=CC(=C(C=C2C(O1)C=C)OC)OC	NVFXKVZYPUYBLQ-UHFFFAOYSA-N
DG56094	"7,8-Dimethoxy-3-methyl-1-(1-phenylvinyl)-1,3,4,5-tetrahydro-2,3-benzoxazepine"	383922	"NSC672878; CHEMBL1988034; NSC-672878; 7,8-Dimethoxy-3-methyl-1-(1-phenylvinyl)-1,3,4,5-tetrahydro-2,3-benzoxazepine; NCI60_025822; J3.513.434D; 1-(1-Phenylvinyl)-3-methyl-7,8-dimethoxy-1,3,4,5-tetrahydro-2,3-benzooxazepine; 7,8-dimethoxy-3-methyl-1-(1-phenylvinyl)-4,5-dihydro-1H-2,3-benzoxazepine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672878	.	.	.	.	325.4	C20H23NO3	30.9	421	4.5	24	0	4	4	"InChI=1S/C20H23NO3/c1-14(15-8-6-5-7-9-15)20-17-13-19(23-4)18(22-3)12-16(17)10-11-21(2)24-20/h5-9,12-13,20H,1,10-11H2,2-4H3"	CN1CCC2=CC(=C(C=C2C(O1)C(=C)C3=CC=CC=C3)OC)OC	XIPDQXDTQNIVFS-UHFFFAOYSA-N
DG56095	Diethyl 2-[[4-[[3-ethoxycarbonyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate	383927	NSC672883; CHEMBL2004977; NSC-672883; Diethyl 2-((4-((3-(ethoxycarbonyl)-7-(trifluoromethyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate; diethyl 2-[[4-[[3-ethoxycarbonyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate; NCI60_025827; 2-[[4-[[3-(Ethoxycarbonyl)-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid diethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672883	.	.	.	.	590.5	C28H29F3N4O7	146	930	5.2	42	2	13	15	"InChI=1S/C28H29F3N4O7/c1-4-40-22(36)14-13-20(26(38)41-5-2)35-25(37)16-7-10-18(11-8-16)32-24-23(27(39)42-6-3)33-19-12-9-17(28(29,30)31)15-21(19)34-24/h7-12,15,20H,4-6,13-14H2,1-3H3,(H,32,34)(H,35,37)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)OCC	NJFOSEYKVHPKKA-UHFFFAOYSA-N
DG56096	"Hexadecanaminium,N-dimethyl-, chloride"	383939	"NSC672904; MLS002702257; SMR001565819; CHEMBL1713454; Hexadecanaminium,N-dimethyl-, chloride; NSC-672904"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672904	.	.	.	.	354.4	C19H41Cl2N	0	204	.	22	0	1	16	"InChI=1S/C19H41ClN.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,3)19-20;/h4-19H2,1-3H3;1H/q+1;/p-1"	CCCCCCCCCCCCCCCC[N+](C)(C)CCl.[Cl-]	MHHYEFPLIFHKPQ-UHFFFAOYSA-M
DG56097	"1-[3-(dimethylamino)-4aH-[1,3,4]thiadiazino[6,5-b]indol-5-yl]ethanone"	384013	"NSC673117; CHEMBL1980936; SCHEMBL14075837; 1-[3-(dimethylamino)-4aH-[1,3,4]thiadiazino[6,5-b]indol-5-yl]ethanone; NSC-673117; NCI60_025896; 5-Acetyl-N,N-dimethyl-4a,5-dihydro[1,3,4]thiadiazino[6,5-b]indol-3-amine; N-(5-Acetyl-4a,5-dihydro[1,3,4]thiadiazino[6,5-b]indol-3-yl)-N,N-dimethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673117	.	.	.	.	274.34	C13H14N4OS	73.6	460	1.6	19	0	4	1	"InChI=1S/C13H14N4OS/c1-8(18)17-10-7-5-4-6-9(10)11-12(17)19-13(15-14-11)16(2)3/h4-7,12H,1-3H3"	CC(=O)N1C2C(=NN=C(S2)N(C)C)C3=CC=CC=C31	PTFUMXCUPXYNJH-UHFFFAOYSA-N
DG56098	NSC673131	384021	"4-[4-[2,3-bis(hydroxymethyl)pyrrol-1-yl]butanoylamino]-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide; NSC673131; CHEMBL2003156; NSC-673131; NCI60_025900; 1H-Pyrrole-1-butanamide, N-[5-[[[5-[[[5-[[[3-(dimethylamino)propyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-2,3-bis(hydroxymethyl)-; 4-[4-[2,3-bis(hydroxymethyl)pyrrol-1-yl]butanoylamino]-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673131	.	.	.	.	663.8	C33H45N9O6	180	1100	-1.4	48	6	7	16	"InChI=1S/C33H45N9O6/c1-38(2)11-7-10-34-31(46)26-15-24(18-39(26)3)36-33(48)28-16-25(19-41(28)5)37-32(47)27-14-23(17-40(27)4)35-30(45)8-6-12-42-13-9-22(20-43)29(42)21-44/h9,13-19,43-44H,6-8,10-12,20-21H2,1-5H3,(H,34,46)(H,35,45)(H,36,48)(H,37,47)"	CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCCN(C)C)C)C)NC(=O)CCCN4C=CC(=C4CO)CO	SLUKQHRPTGAJFO-UHFFFAOYSA-N
DG56099	2-(Acetyloxy)-4-(2-oxo-2H-chromen-3-yl)phenyl acetate	384022	NSC673132; CHEMBL1996756; 2-(Acetyloxy)-4-(2-oxo-2H-chromen-3-yl)phenyl acetate; NSC-673132; NCI60_025901; [2-acetoxy-4-(2-oxochromen-3-yl)phenyl] acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673132	.	.	.	.	338.3	C19H14O6	78.9	581	3	25	0	6	5	"InChI=1S/C19H14O6/c1-11(20)23-17-8-7-13(10-18(17)24-12(2)21)15-9-14-5-3-4-6-16(14)25-19(15)22/h3-10H,1-2H3"	CC(=O)OC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)OC(=O)C	ANTJASBOBCTXBJ-UHFFFAOYSA-N
DG56100	4-(2-Oxo-2H-chromen-3-yl)phenyl acetate	384024	"4-(2-Oxo-2H-chromen-3-yl)phenyl acetate; [4-(2-oxochromen-3-yl)phenyl] acetate; NSC673134; 2005-94-9; Oprea1_646137; MLS001178534; 2h-1-benzopyran-2-one, 3-[4-(acetyloxy)phenyl]-; CHEMBL1880957; HMS2784L18; ZINC4656496; STK643725; AKOS005574935; MCULE-3307816387; NSC-673134; NCI60_025903; SMR000477037; 2h-1-benzopyran-2-one,3-[4-(acetyloxy)phenyl]-; AN-308/15495048"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673134	.	.	.	.	280.27	C17H12O4	52.6	446	3.3	21	0	4	3	"InChI=1S/C17H12O4/c1-11(18)20-14-8-6-12(7-9-14)15-10-13-4-2-3-5-16(13)21-17(15)19/h2-10H,1H3"	CC(=O)OC1=CC=C(C=C1)C2=CC3=CC=CC=C3OC2=O	HLOFWCHOMFXXRP-UHFFFAOYSA-N
DG56101	4-[7-(acetyloxy)-2-oxo-2H-chromen-3-yl]phenyl acetate	384025	NSC673135; 4-[7-(acetyloxy)-2-oxo-2H-chromen-3-yl]phenyl acetate; 4-(7-(Acetyloxy)-2-oxo-2H-chromen-3-yl)phenyl acetate; Oprea1_286033; MLS001178537; CHEMBL1437407; SCHEMBL15286102; HMS2787A12; ZINC4656497; MCULE-2575539255; NSC-673135; NCI60_025904; SMR000477038; AN-308/15495050; [4-(7-acetoxy-2-oxo-chromen-3-yl)phenyl] acetate; 4-(7-acetoxy-2-oxo-2H-chromen-3-yl)phenyl acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673135	.	.	.	.	338.3	C19H14O6	78.9	573	3	25	0	6	5	"InChI=1S/C19H14O6/c1-11(20)23-15-6-3-13(4-7-15)17-9-14-5-8-16(24-12(2)21)10-18(14)25-19(17)22/h3-10H,1-2H3"	CC(=O)OC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)OC(=O)C)OC2=O	LFPNSUWIISXTOM-UHFFFAOYSA-N
DG56102	2-(7-(Acetyloxy)-2-oxo-2H-chromen-3-yl)phenyl acetate	384027	NSC673137; CHEMBL2006642; 2-(7-(Acetyloxy)-2-oxo-2H-chromen-3-yl)phenyl acetate; NSC-673137; NCI60_025906; [3-(2-acetoxyphenyl)-2-oxo-chromen-7-yl] acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673137	.	.	.	.	338.3	C19H14O6	78.9	581	3	25	0	6	5	"InChI=1S/C19H14O6/c1-11(20)23-14-8-7-13-9-16(19(22)25-18(13)10-14)15-5-3-4-6-17(15)24-12(2)21/h3-10H,1-2H3"	CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=CC=C3OC(=O)C	VIPZXQZPGCJBAE-UHFFFAOYSA-N
DG56103	"(1-(Bis(benzylamino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide"	384035	"NSC673146; CHEMBL1995586; ZINC1856741; MCULE-7436831817; NSC-673146; NCI60_025914; N1,N1'-dibenzyl-3,4,4-trichloro-2-nitro-buta-1,3-diene-1,1-diamine; (1-(Bis(benzylamino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673146	.	.	.	.	412.7	C18H16Cl3N3O2	69.9	506	5.8	26	2	4	7	"InChI=1S/C18H16Cl3N3O2/c19-15(17(20)21)16(24(25)26)18(22-11-13-7-3-1-4-8-13)23-12-14-9-5-2-6-10-14/h1-10,22-23H,11-12H2"	C1=CC=C(C=C1)CNC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NCC2=CC=CC=C2	MGBZQQZTZQNXSX-UHFFFAOYSA-N
DG56104	"N-butylspiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-amine"	384058	"NSC673182; CHEMBL1996438; N-butylspiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-amine; NSC-673182; NCI60_025930; n-butyl-{2,3,4,9-tetrahydrospiro[1H-carbazole-1,2'-[1,3]dithiolane]-4-yl} amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673182	.	.	.	.	332.5	C18H24N2S2	78.4	383	4.1	22	2	3	4	"InChI=1S/C18H24N2S2/c1-2-3-10-19-15-8-9-18(21-11-12-22-18)17-16(15)13-6-4-5-7-14(13)20-17/h4-7,15,19-20H,2-3,8-12H2,1H3"	CCCCNC1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2	NIXHDTOXNDROPU-UHFFFAOYSA-N
DG56105	"N-butyl-N-(1-oxo-2,3,4,9-tetrahydrocarbazol-4-yl)benzamide"	384059	"NSC673183; CHEMBL2005420; N-butyl-N-(1-oxo-2,3,4,9-tetrahydrocarbazol-4-yl)benzamide; NSC-673183; NCI60_025931; 4-(benzoylbutylamino)-2,3,4,9-tetrahydro-1H-carbazole-1-one; N-Butyl-N-(1-oxo-2,3,4,9-tetrahydro-1H-carbazol-4-yl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673183	.	.	.	.	360.4	C23H24N2O2	53.2	543	4.5	27	1	2	5	"InChI=1S/C23H24N2O2/c1-2-3-15-25(23(27)16-9-5-4-6-10-16)19-13-14-20(26)22-21(19)17-11-7-8-12-18(17)24-22/h4-12,19,24H,2-3,13-15H2,1H3"	CCCCN(C1CCC(=O)C2=C1C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4	GFESUKTUVVVHAM-UHFFFAOYSA-N
DG56106	NSC673185	384060	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-(furan-2-carbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC673185; CHEMBL307009; NSC-673185; NCI60_025932; (1S)-4alpha,10beta-Diacetoxy-2alpha-(benzoyloxy)-5beta,20-epoxy-1,7beta-dihydroxy-13alpha-[[(2R,3S)-2-hydroxy-3-(2-furoylamino)-3-phenylpropionyl]oxy]tax-11-en-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673185	.	.	.	.	843.9	C45H49NO15	234	1780	1.9	61	4	15	14	"InChI=1S/C45H49NO15/c1-23-29(59-41(54)34(50)33(26-14-9-7-10-15-26)46-39(52)28-18-13-19-56-28)21-45(55)38(60-40(53)27-16-11-8-12-17-27)36-43(6,30(49)20-31-44(36,22-57-31)61-25(3)48)37(51)35(58-24(2)47)32(23)42(45,4)5/h7-19,29-31,33-36,38,49-50,55H,20-22H2,1-6H3,(H,46,52)/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CO6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	OZLOKBVNWFMQFL-MHHARFCSSA-N
DG56107	NSC673186	384061	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] furan-3-carboxylate; NSC673186; CHEMBL1978531; NSC-673186; NCI60_025933"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673186	.	.	.	.	843.9	C45H49NO15	234	1780	1.6	61	4	15	14	"InChI=1S/C45H49NO15/c1-23-29(59-41(54)34(50)33(26-13-9-7-10-14-26)46-39(52)27-15-11-8-12-16-27)20-45(55)38(60-40(53)28-17-18-56-21-28)36-43(6,30(49)19-31-44(36,22-57-31)61-25(3)48)37(51)35(58-24(2)47)32(23)42(45,4)5/h7-18,21,29-31,33-36,38,49-50,55H,19-20,22H2,1-6H3,(H,46,52)/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=COC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	WMVHMLVSAGPALS-MHHARFCSSA-N
DG56108	NSC673187	384062	"4,10beta-Diacetoxy-2alpha-(2-furanylcarbonyloxy)-5beta,20-epoxy-1alpha,7beta-dihydroxy-13alpha-[[(2R,3S)-2-hydroxy-3-(benzoylamino)-3-phenylpropionyl]oxy]taxa-11-ene-9-one; NSC673187; CHEMBL1998688; NSC-673187; NCI60_025934; 4,10beta-Diacetoxy-2alpha-(2-furanylcarbonyloxy)-5beta,20-epoxy-1alpha,7beta-dihydroxy-13alpha-[[(2R,3S)-2-hydroxy-3-(benzoylamino)-3-phenylpropionyl]oxy]taxa-11-ene-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673187	.	.	.	.	843.9	C45H49NO15	234	1780	1.9	61	4	15	14	"InChI=1S/C45H49NO15/c1-23-29(59-41(54)34(50)33(26-14-9-7-10-15-26)46-39(52)27-16-11-8-12-17-27)21-45(55)38(60-40(53)28-18-13-19-56-28)36-43(6,30(49)20-31-44(36,22-57-31)61-25(3)48)37(51)35(58-24(2)47)32(23)42(45,4)5/h7-19,29-31,33-36,38,49-50,55H,20-22H2,1-6H3,(H,46,52)/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CO7)(CO4)OC(=O)C)O)C)OC(=O)C	UCLXBYBARUOWKB-MHHARFCSSA-N
DG56109	2-Debenzoyl-2-(p-fluorobenzoyl)paclitaxel	384063	NSC673188; CHEMBL1994002; NSC-673188; NCI60_025935; 2-Debenzoyl-2-(p-fluorobenzoyl)paclitaxel	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673188	.	.	.	.	871.9	C47H50FNO14	221	1830	2.6	63	4	15	14	"InChI=1S/C47H50FNO14/c1-24-31(61-43(57)36(53)35(27-13-9-7-10-14-27)49-41(55)28-15-11-8-12-16-28)22-47(58)40(62-42(56)29-17-19-30(48)20-18-29)38-45(6,32(52)21-33-46(38,23-59-33)63-26(3)51)39(54)37(60-25(2)50)34(24)44(47,4)5/h7-20,31-33,35-38,40,52-53,58H,21-23H2,1-6H3,(H,49,55)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=C(C=C7)F)(CO4)OC(=O)C)O)C)OC(=O)C	QOBLNAMMILBXCH-MZXODVADSA-N
DG56110	NSC673190	384065	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] pyridine-4-carboxylate; NSC673190; CHEMBL1974829; NSC-673190; NCI60_025937"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673190	.	.	.	.	854.9	C46H50N2O14	234	1800	1.4	62	4	15	14	"InChI=1S/C46H50N2O14/c1-24-30(60-42(56)35(52)34(27-13-9-7-10-14-27)48-40(54)28-15-11-8-12-16-28)22-46(57)39(61-41(55)29-17-19-47-20-18-29)37-44(6,31(51)21-32-45(37,23-58-32)62-26(3)50)38(53)36(59-25(2)49)33(24)43(46,4)5/h7-20,30-32,34-37,39,51-52,57H,21-23H2,1-6H3,(H,48,54)/t30-,31-,32+,34-,35+,36+,37-,39-,44+,45-,46+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=NC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	BUWWMTKSACQRJA-JKZNWJFHSA-N
DG56111	NSC673191	384066	"(2R,3S)-2-Hydroxy-3-(benzoylamino)-3-phenylpropionic acid 1,7beta-dihydroxy-2alpha-[[3-(trifluoromethyl)benzoyl]oxy]-4,10beta-diacetoxy-5beta,20-epoxy-9-oxotaxa-11-ene-13alpha-yl ester; NSC673191; CHEMBL331740; NSC-673191; NCI60_025938; (2R,3S)-2-Hydroxy-3-(benzoylamino)-3-phenylpropionic acid 1,7beta-dihydroxy-2alpha-[[3-(trifluoromethyl)benzoyl]oxy]-4,10beta-diacetoxy-5beta,20-epoxy-9-oxotaxa-11-ene-13alpha-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673191	.	.	.	.	921.9	C48H50F3NO14	221	1940	3.4	66	4	17	14	"InChI=1S/C48H50F3NO14/c1-24-31(64-43(60)36(56)35(27-14-9-7-10-15-27)52-41(58)28-16-11-8-12-17-28)22-47(61)40(65-42(59)29-18-13-19-30(20-29)48(49,50)51)38-45(6,32(55)21-33-46(38,23-62-33)66-26(3)54)39(57)37(63-25(2)53)34(24)44(47,4)5/h7-20,31-33,35-38,40,55-56,61H,21-23H2,1-6H3,(H,52,58)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC(=CC=C7)C(F)(F)F)(CO4)OC(=O)C)O)C)OC(=O)C	IGKGYZOULPMYBA-MZXODVADSA-N
DG56112	NSC673192	384067	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-[(4-aminobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC673192; CHEMBL1979067; NSC-673192; NCI60_025939"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673192	.	.	.	.	868.9	C47H52N2O14	247	1830	1.8	63	5	15	14	"InChI=1S/C47H52N2O14/c1-24-31(61-43(57)36(53)35(27-13-9-7-10-14-27)49-41(55)28-17-19-30(48)20-18-28)22-47(58)40(62-42(56)29-15-11-8-12-16-29)38-45(6,32(52)21-33-46(38,23-59-33)63-26(3)51)39(54)37(60-25(2)50)34(24)44(47,4)5/h7-20,31-33,35-38,40,52-53,58H,21-23,48H2,1-6H3,(H,49,55)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=C(C=C6)N)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	MRLCSEIPLWDUPY-MZXODVADSA-N
DG56113	NSC673193	384068	"(2R,3S)-2-Hydroxy-3-[4-(dimethylamino)benzoylamino]-3-phenylpropionic acid 1,7beta-dihydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-5beta,20-epoxy-9-oxotax-11-en-13alpha-yl ester; NSC673193; CHEMBL2005459; NSC-673193; NCI60_025940; (2R,3S)-2-Hydroxy-3-[4-(dimethylamino)benzoylamino]-3-phenylpropionic acid 1,7beta-dihydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-5beta,20-epoxy-9-oxotax-11-en-13alpha-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673193	.	.	.	.	897	C49H56N2O14	225	1880	2.6	65	4	15	15	"InChI=1S/C49H56N2O14/c1-26-33(63-45(59)38(55)37(29-15-11-9-12-16-29)50-43(57)30-19-21-32(22-20-30)51(7)8)24-49(60)42(64-44(58)31-17-13-10-14-18-31)40-47(6,34(54)23-35-48(40,25-61-35)65-28(3)53)41(56)39(62-27(2)52)36(26)46(49,4)5/h9-22,33-35,37-40,42,54-55,60H,23-25H2,1-8H3,(H,50,57)/t33-,34-,35+,37-,38+,39+,40-,42-,47+,48-,49+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=C(C=C6)N(C)C)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	UREKCZIZJLHKBK-XOVTVWCYSA-N
DG56114	"5-Chloro-6-(1-hydroxy-2-(4-(2-pyridinylmethyl)-1-piperazinyl)ethyl)-3-methyl-1,3-benzoxazol-2(3H)-one"	384072	"NSC673294; CHEMBL1992586; NSC-673294; 5-Chloro-6-(1-hydroxy-2-(4-(2-pyridinylmethyl)-1-piperazinyl)ethyl)-3-methyl-1,3-benzoxazol-2(3H)-one; NCI60_025945; 5-chloro-6-[1-hydroxy-2-[4-(2-pyridylmethyl)piperazin-1-yl]ethyl]-3-methyl-1,3-benzoxazol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673294	.	.	.	.	402.9	C20H23ClN4O3	69.1	546	1.4	28	1	6	5	"InChI=1S/C20H23ClN4O3/c1-23-17-11-16(21)15(10-19(17)28-20(23)27)18(26)13-25-8-6-24(7-9-25)12-14-4-2-3-5-22-14/h2-5,10-11,18,26H,6-9,12-13H2,1H3"	CN1C2=C(C=C(C(=C2)Cl)C(CN3CCN(CC3)CC4=CC=CC=N4)O)OC1=O	BINBQTINYCLDQA-UHFFFAOYSA-N
DG56115	"(4-chlorophenyl)-[3-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]methanol"	384078	"NSC673300; CHEMBL341396; BDBM50118323; NSC-673300; NCI60_025951; (4-chlorophenyl)-[3-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]methanol; (4-Chloro-phenyl)-[3-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-phenyl]-methanol; (4-Chlorophenyl)(3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl)methanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673300	.	.	.	.	315.8	C18H18ClNO2	41.8	415	3.5	22	1	3	3	"InChI=1S/C18H18ClNO2/c1-18(2)11-22-17(20-18)14-5-3-4-13(10-14)16(21)12-6-8-15(19)9-7-12/h3-10,16,21H,11H2,1-2H3"	CC1(COC(=N1)C2=CC(=CC=C2)C(C3=CC=C(C=C3)Cl)O)C	ZJUXCZVDGIBZEE-UHFFFAOYSA-N
DG56116	"2-(2,2-Dimethyl-3-phenylpropyl)-1,4-benzenediol"	384081	"NSC673303; 907552-31-2; 2-(2,2-Dimethyl-3-phenylpropyl)-1,4-benzenediol; CHEMBL1981611; DTXSID70327635; NSC-673303; NCI60_025954; 2-(2,2-dimethyl-3-phenyl-propyl)benzene-1,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673303	.	.	.	.	256.339	C17H20O2	40.5	268	4.6	19	2	2	4	"InChI=1S/C17H20O2/c1-17(2,11-13-6-4-3-5-7-13)12-14-10-15(18)8-9-16(14)19/h3-10,18-19H,11-12H2,1-2H3"	CC(C)(CC1=CC=CC=C1)CC2=C(C=CC(=C2)O)O	RGMYHDLDEJKZFA-UHFFFAOYSA-N
DG56117	"6-[2-(3,5-dichloro-4-hydroxyphenyl)ethylamino]-1H-benzimidazole-4,7-dione"	384097	NSC673319; CHEMBL1969125; NSC-673319; NCI60_025962	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673319	.	.	.	.	352.2	C15H11Cl2N3O3	95.1	516	3.3	23	3	5	4	"InChI=1S/C15H11Cl2N3O3/c16-8-3-7(4-9(17)14(8)22)1-2-18-10-5-11(21)12-13(15(10)23)20-6-19-12/h3-6,18,22H,1-2H2,(H,19,20)"	C1=C(C=C(C(=C1Cl)O)Cl)CCNC2=CC(=O)C3=C(C2=O)NC=N3	UQTPOMIIMHFKQA-UHFFFAOYSA-N
DG56118	"benzyl N-[2-(6-methoxy-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate"	384098	NSC673321; CHEMBL590067; NSC-673321; NCI60_025964	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673321	.	.	.	.	355.3	C18H17N3O5	110	585	1.8	26	2	6	7	"InChI=1S/C18H17N3O5/c1-25-14-9-13(22)15-12(20-21-16(15)17(14)23)7-8-19-18(24)26-10-11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,19,24)(H,20,21)"	COC1=CC(=O)C2=C(NN=C2C1=O)CCNC(=O)OCC3=CC=CC=C3	IMIXXYDASULQSE-UHFFFAOYSA-N
DG56119	"10-Methoxy-2,3,7-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol;hydroiodide"	384099	NSC673322; CHEMBL1981842; NSC-673322	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673322	.	.	.	.	331.11	C10H10IN3O2	66.5	495	.	16	2	5	1	"InChI=1S/C10H9N3O2.HI/c1-15-7-4-6-8-5(2-3-11-6)12-13-9(8)10(7)14;/h4,14H,2-3H2,1H3;1H"	COC1=CC2=NCCC3=C2C(=C1O)N=N3.I	XTRDTZUIDJWURP-UHFFFAOYSA-N
DG56120	"5,8-Bis(cyclopropylmethylamino)naphthalene-1,4-dione"	384114	NSC673343; CHEMBL1985621; NSC-673343; NCI60_025977	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673343	.	.	.	.	296.4	C18H20N2O2	58.2	449	4	22	2	4	6	"InChI=1S/C18H20N2O2/c21-15-7-8-16(22)18-14(20-10-12-3-4-12)6-5-13(17(15)18)19-9-11-1-2-11/h5-8,11-12,19-20H,1-4,9-10H2"	C1CC1CNC2=C3C(=O)C=CC(=O)C3=C(C=C2)NCC4CC4	RPDBXYUSYQRSKQ-UHFFFAOYSA-N
DG56121	"N-[9,10-dioxo-4-(prop-2-enoylamino)anthracen-1-yl]prop-2-enamide"	384115	NSC673344; CHEMBL1980605; SCHEMBL10934388; NSC-673344; NCI60_025978	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673344	.	.	.	.	346.3	C20H14N2O4	92.3	600	3.5	26	2	4	4	"InChI=1S/C20H14N2O4/c1-3-15(23)21-13-9-10-14(22-16(24)4-2)18-17(13)19(25)11-7-5-6-8-12(11)20(18)26/h3-10H,1-2H2,(H,21,23)(H,22,24)"	C=CC(=O)NC1=C2C(=C(C=C1)NC(=O)C=C)C(=O)C3=CC=CC=C3C2=O	OILWKNBHXAQZGW-UHFFFAOYSA-N
DG56122	"Naphthalene,4-bis(oxiranylmethoxy)-"	384118	"NSC673347; SCHEMBL1715947; CHEMBL1986699; Naphthalene,4-bis(oxiranylmethoxy)-; 1,4-Naphthalenediylbis(glycidyl ether); NSC-673347; NCI60_025981"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673347	.	.	.	.	272.29	C16H16O4	43.5	302	2.5	20	0	4	6	"InChI=1S/C16H16O4/c1-2-4-14-13(3-1)15(19-9-11-7-17-11)5-6-16(14)20-10-12-8-18-12/h1-6,11-12H,7-10H2"	C1C(O1)COC2=CC=C(C3=CC=CC=C32)OCC4CO4	RHYLFJIYMVTKQO-UHFFFAOYSA-N
DG56123	"9, 1-[(Oxiranylmethyl)amino]-"	384119	"NSC673348; SCHEMBL9819653; CHEMBL1995282; 9, 1-[(oxiranylmethyl)amino]-; 1-(2,3-epoxypropylamino)anthraquinone; NSC-673348; NCI60_025982"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673348	.	.	.	.	279.29	C17H13NO3	58.7	449	3.6	21	1	4	3	"InChI=1S/C17H13NO3/c19-16-11-4-1-2-5-12(11)17(20)15-13(16)6-3-7-14(15)18-8-10-9-21-10/h1-7,10,18H,8-9H2"	C1C(O1)CNC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O	IQWLKDBTUNXTFR-UHFFFAOYSA-N
DG56124	"9, 1,4-Bis[[2-hydroxy-3-(propylamino) propyl]amino]-"	384120	"NSC673349; SCHEMBL7705171; CHEMBL1966065; NSC-673349; NCI60_025983; 9, 1,4-bis[[2-hydroxy-3-(propylamino) propyl]amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673349	.	.	.	.	468.6	C26H36N4O4	123	594	3.6	34	6	8	14	"InChI=1S/C26H36N4O4/c1-3-11-27-13-17(31)15-29-21-9-10-22(30-16-18(32)14-28-12-4-2)24-23(21)25(33)19-7-5-6-8-20(19)26(24)34/h5-10,17-18,27-32H,3-4,11-16H2,1-2H3"	CCCNCC(CNC1=C2C(=C(C=C1)NCC(CNCCC)O)C(=O)C3=CC=CC=C3C2=O)O	WCRQCMGSZFHMTN-UHFFFAOYSA-N
DG56125	2-phenyl-N-[3-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]propyl]quinoline-4-carboxamide	384126	NSC673414; CHEMBL1973964; NSC-673414; 2-phenyl-N-[3-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]propyl]quinoline-4-carboxamide; NCI60_025990; 2-Phenyl-N-(3-((3-(((2-phenyl-4-quinolinyl)carbonyl)amino)propyl)amino)propyl)-4-quinolinecarboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673414	.	.	.	.	593.7	C38H35N5O2	96	846	6.3	45	3	5	12	"InChI=1S/C38H35N5O2/c44-37(31-25-35(27-13-3-1-4-14-27)42-33-19-9-7-17-29(31)33)40-23-11-21-39-22-12-24-41-38(45)32-26-36(28-15-5-2-6-16-28)43-34-20-10-8-18-30(32)34/h1-10,13-20,25-26,39H,11-12,21-24H2,(H,40,44)(H,41,45)"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6	SJJRPBWGEFLAEB-UHFFFAOYSA-N
DG56126	"N-[3-[2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)ethylamino]propyl]-2-phenyl-quinoline-4-carboxamide"	384127	"NSC673415; CHEMBL1978649; NSC-673415; NCI60_025991; N-(3-((2-(5-(Hydroxy(oxido)amino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide; N-[3-[2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)ethylamino]propyl]-2-phenyl-quinoline-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673415	.	.	.	.	573.6	C33H27N5O5	137	1030	4.8	43	2	7	9	"InChI=1S/C33H27N5O5/c39-31(26-20-29(21-8-2-1-3-9-21)36-28-13-5-4-11-24(26)28)35-15-7-14-34-16-17-37-32(40)25-12-6-10-22-18-23(38(42)43)19-27(30(22)25)33(37)41/h1-6,8-13,18-20,34H,7,14-17H2,(H,35,39)"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCN4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-]	QEPSPBLUFYZVAY-UHFFFAOYSA-N
DG56127	"N-(3-((2-((2,3-Dihydroxybenzoyl)amino)ethyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide"	384131	"NSC673418; CHEMBL1991026; NSC-673418; NCI60_025994; N-(3-((2-((2,3-Dihydroxybenzoyl)amino)ethyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide; N-[3-[2-[(2,3-dihydroxybenzoyl)amino]ethylamino]propyl]-2-phenyl-quinoline-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673418	.	.	.	.	484.5	C28H28N4O4	124	701	3.9	36	5	6	10	"InChI=1S/C28H28N4O4/c33-25-13-6-11-21(26(25)34)27(35)31-17-16-29-14-7-15-30-28(36)22-18-24(19-8-2-1-3-9-19)32-23-12-5-4-10-20(22)23/h1-6,8-13,18,29,33-34H,7,14-17H2,(H,30,36)(H,31,35)"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCNC(=O)C4=C(C(=CC=C4)O)O	UNLNFLGMEOHGGY-UHFFFAOYSA-N
DG56128	"1,4-Dimethoxy-2-[(4-methoxyphenyl)sulfanylmethyl]benzene"	384133	"NSC673420; 1,4-Dimethoxy-2-(((4-methoxyphenyl)thio)methyl)benzene; CHEMBL1965476; 1,4-dimethoxy-2-[(4-methoxyphenyl)sulfanylmethyl]benzene; ZINC1856883; AKOS008890906; NSC-673420; NCI60_025996"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673420	.	.	.	.	290.4	C16H18O3S	53	266	3.8	20	0	4	6	"InChI=1S/C16H18O3S/c1-17-13-4-7-15(8-5-13)20-11-12-10-14(18-2)6-9-16(12)19-3/h4-10H,11H2,1-3H3"	COC1=CC=C(C=C1)SCC2=C(C=CC(=C2)OC)OC	GJHACXPIFHYIEZ-UHFFFAOYSA-N
DG56129	"2-[(4-Hydroxyphenyl)sulfanylmethyl]benzene-1,4-diol"	384134	"NSC673421; 2-[(4-hydroxyphenyl)sulfanylmethyl]benzene-1,4-diol; CHEMBL1985548; NSC-673421; NCI60_025997; 2-(((4-Hydroxyphenyl)thio)methyl)-1,4-benzenediol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673421	.	.	.	.	248.3	C13H12O3S	86	229	2.9	17	3	4	3	"InChI=1S/C13H12O3S/c14-10-1-4-12(5-2-10)17-8-9-7-11(15)3-6-13(9)16/h1-7,14-16H,8H2"	C1=CC(=CC=C1O)SCC2=C(C=CC(=C2)O)O	SPKMMWKRZJWHSL-UHFFFAOYSA-N
DG56130	"4-((3,4,5-Trimethoxybenzyl)thio)phenol"	384136	"NSC673423; 4-((3,4,5-Trimethoxybenzyl)thio)phenol; 4-[(3,4,5-trimethoxyphenyl)methylsulfanyl]phenol; SCHEMBL8529307; CHEMBL2005403; ZINC1856886; NSC-673423; NCI60_025999; 3,4,5-trimethoxybenzyl 4-hydroxyphenyl thioether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673423	.	.	.	.	306.4	C16H18O4S	73.2	280	3.5	21	1	5	6	"InChI=1S/C16H18O4S/c1-18-14-8-11(9-15(19-2)16(14)20-3)10-21-13-6-4-12(17)5-7-13/h4-9,17H,10H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)CSC2=CC=C(C=C2)O	JBTRUPZYRYLZFH-UHFFFAOYSA-N
DG56131	"2-(((3,4-Dimethoxyphenyl)thio)methyl)-1,4-dimethoxybenzene"	384141	"NSC673428; CHEMBL1997308; 2-(((3,4-Dimethoxyphenyl)thio)methyl)-1,4-dimethoxybenzene; ZINC1856894; NSC-673428; NCI60_026004; 2-[(3,4-dimethoxyphenyl)sulfanylmethyl]-1,4-dimethoxy-benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673428	.	.	.	.	320.4	C17H20O4S	62.2	315	3.8	22	0	5	7	"InChI=1S/C17H20O4S/c1-18-13-5-7-15(19-2)12(9-13)11-22-14-6-8-16(20-3)17(10-14)21-4/h5-10H,11H2,1-4H3"	COC1=CC(=C(C=C1)OC)CSC2=CC(=C(C=C2)OC)OC	WDYADNBAOWNPID-UHFFFAOYSA-N
DG56132	"1,2,3-Trimethoxy-5-(((4-methoxybenzyl)thio)methyl)benzene"	384142	"NSC673429; CHEMBL2004493; 1,2,3-Trimethoxy-5-(((4-methoxybenzyl)thio)methyl)benzene; ZINC1856896; 1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfanylmethyl]benzene; NSC-673429; NCI60_026005"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673429	.	.	.	.	334.4	C18H22O4S	62.2	306	3.7	23	0	5	8	"InChI=1S/C18H22O4S/c1-19-15-7-5-13(6-8-15)11-23-12-14-9-16(20-2)18(22-4)17(10-14)21-3/h5-10H,11-12H2,1-4H3"	COC1=CC=C(C=C1)CSCC2=CC(=C(C(=C2)OC)OC)OC	KYSBUCCQWHLVPG-UHFFFAOYSA-N
DG56133	"2,4-Diphenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one"	384148	"NSC673435; CHEMBL26401; 2,4-diphenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one; 2,4-Diphenyl-5,7-dihydro-6H-pyrido[3,2-d][1]benzazepin-6-one; NSC-673435; NCI60_026011; 2,4-Diphenyl-1,7-diaza-5H-dibenzo[a,c]cycloheptene-6(7H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673435	.	.	.	.	362.4	C25H18N2O	42	537	4.7	28	1	2	2	"InChI=1S/C25H18N2O/c28-24-16-21-20(17-9-3-1-4-10-17)15-23(18-11-5-2-6-12-18)27-25(21)19-13-7-8-14-22(19)26-24/h1-15H,16H2,(H,26,28)"	C1C2=C(C3=CC=CC=C3NC1=O)N=C(C=C2C4=CC=CC=C4)C5=CC=CC=C5	RUBBCXXZKITYEZ-UHFFFAOYSA-N
DG56134	"6-methylsulfanyl-2,4-diphenyl-5H-pyrido[3,2-d][1]benzazepine"	384149	"NSC673437; CHEMBL2002189; 6-(Methylthio)-2,4-diphenyl-5H-pyrido[3,2-d][1]benzazepine; 6-methylsulfanyl-2,4-diphenyl-5H-pyrido[3,2-d][1]benzazepine; NSC-673437; NCI60_026012; 2,4-Diphenyl-5H-pyrido[3,2-d][1]benzazepin-6-yl methyl sulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673437	.	.	.	.	392.5	C26H20N2S	50.6	563	5.8	29	0	3	3	"InChI=1S/C26H20N2S/c1-29-25-17-22-21(18-10-4-2-5-11-18)16-24(19-12-6-3-7-13-19)28-26(22)20-14-8-9-15-23(20)27-25/h2-16H,17H2,1H3"	CSC1=NC2=CC=CC=C2C3=C(C1)C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5	WMLMTJCOZQUYLX-UHFFFAOYSA-N
DG56135	3-Bromo-6-chloro-8-nitroquinoline	384158	3-bromo-6-chloro-8-nitroquinoline; 183543-61-5; NSC673448; CHEMBL1991016; DTXSID50327638; AMY27067; 3-bromo-6-chloro-8-nitro-quinoline; 9610AA; ZINC13222636; NSC-673448; SB70803; NCI60_026018; DB-122622; 3-Bromo-6-chloro-8-(hydroxy(oxido)amino)quinoline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673448	.	.	.	.	287.5	C9H4BrClN2O2	58.7	261	3.3	15	0	3	0	InChI=1S/C9H4BrClN2O2/c10-6-1-5-2-7(11)3-8(13(14)15)9(5)12-4-6/h1-4H	C1=C2C=C(C=NC2=C(C=C1Cl)[N+](=O)[O-])Br	COVFYLACFRNJLF-UHFFFAOYSA-N
DG56136	6-Bromo-3-chloro-8-nitroquinoline	384159	NSC673449; 6-bromo-3-chloro-8-nitroquinoline; CHEMBL1978761; ZINC1856914; 6-bromo-3-chloro-8-nitro-quinoline; NSC-673449; NCI60_026019; 6-Bromo-3-chloro-8-(hydroxy(oxido)amino)quinoline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673449	.	.	.	.	287.5	C9H4BrClN2O2	58.7	261	3.3	15	0	3	0	InChI=1S/C9H4BrClN2O2/c10-6-1-5-2-7(11)4-12-9(5)8(3-6)13(14)15/h1-4H	C1=C2C=C(C=NC2=C(C=C1Br)[N+](=O)[O-])Cl	ZEINDBBRQIPPSP-UHFFFAOYSA-N
DG56137	6-Fluoroquinolin-8-ol	384160	6-fluoroquinolin-8-ol; 135838-04-9; 6-Fluoro-8-quinolinol; NSC673450; 6-Fluoro-8-hydroxyquinoline; SCHEMBL3711196; CHEMBL1988246; DTXSID10327639; MFCD18414597; ZINC13222982; AKOS016010669; DS-2826; FS-3756; NSC-673450; SB68107; NCI60_026020; Z4113; J3.508.199B; A886929	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673450	.	.	.	.	163.15	C9H6FNO	33.1	165	2.1	12	1	3	0	"InChI=1S/C9H6FNO/c10-7-4-6-2-1-3-11-9(6)8(12)5-7/h1-5,12H"	C1=CC2=CC(=CC(=C2N=C1)O)F	SCUWALYGODIPCH-UHFFFAOYSA-N
DG56138	7-Bromoquinolin-8-ol	384161	"7-bromoquinolin-8-ol; 7-Bromo-8-hydroxyquinoline; 13019-32-4; 8-quinolinol, 7-bromo-; 7-Bromo-8-quinolinol; NSC673452; SCHEMBL115436; CHEMBL141420; DTXSID20327640; 7-Bromo-8-hydroxyquinoline, 97%; MFCD01250025; ZINC13208442; AKOS005133811; CS-W006481; MCULE-5638189971; NSC-673452; SB71495; DA-12842; DS-15452; NCI60_026022; FT-0738855; A888781"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673452	.	.	.	.	224.05	C9H6BrNO	33.1	165	2.5	12	1	2	0	"InChI=1S/C9H6BrNO/c10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-5,12H"	C1=CC2=C(C(=C(C=C2)Br)O)N=C1	ICKPMTNGWVNOGC-UHFFFAOYSA-N
DG56139	6-Chloro-8-hydroxyquinoline	384162	"6-chloroquinolin-8-ol; 6-CHLORO-8-HYDROXYQUINOLINE; 5622-06-0; 8-Quinolinol, 6-chloro-; 6-Chloro-8-quinolinol; NSC673453; SCHEMBL364531; CHEMBL1979632; DTXSID80327641; MFCD08688616; ZINC13222980; AKOS006289280; NSC-673453; SB67924; AM806186; AS-58017; NCI60_026023; CS-0036811; FT-0695683"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673453	.	.	.	.	179.6	C9H6ClNO	33.1	165	2.6	12	1	2	0	"InChI=1S/C9H6ClNO/c10-7-4-6-2-1-3-11-9(6)8(12)5-7/h1-5,12H"	C1=CC2=CC(=CC(=C2N=C1)O)Cl	YFKDOLPRGYKULB-UHFFFAOYSA-N
DG56140	6-Bromoquinolin-8-ol	384163	"6-bromoquinolin-8-ol; 139399-64-7; 8-Quinolinol, 6-bromo-; 6-Bromo-8-quinolinol; NSC673454; SCHEMBL3347624; CHEMBL1979811; AMY2122; DTXSID40327642; MFCD11878495; ZINC13222978; NSC-673454; QC-8066; SB72120; DS-11741; NCI60_026024; DB-063306; CS-0004310; FT-0760704; F52175; A922272"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673454	.	.	.	.	224.05	C9H6BrNO	33.1	165	2.7	12	1	2	0	"InChI=1S/C9H6BrNO/c10-7-4-6-2-1-3-11-9(6)8(12)5-7/h1-5,12H"	C1=CC2=CC(=CC(=C2N=C1)O)Br	IMUJTAIQEBHAMT-UHFFFAOYSA-N
DG56141	4-Chloroquinolin-8-ol	384164	"4-chloroquinolin-8-ol; 57334-36-8; 4-Chloro-8-quinolinol; 4-Chloro-8-hydroxyquinoline; 8-quinolinol, 4-chloro-; NSC673455; SCHEMBL2701957; CHEMBL2001318; DTXSID00327643; ACT01953; ZINC1856921; MFCD00661657; AKOS006274235; NSC-673455; SB68003; BS-50648; DA-19584; NCI60_026025; FT-0664949; W7072; N10420"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673455	.	.	.	.	179.6	C9H6ClNO	33.1	165	2.7	12	1	2	0	"InChI=1S/C9H6ClNO/c10-7-4-5-11-9-6(7)2-1-3-8(9)12/h1-5,12H"	C1=CC2=C(C=CN=C2C(=C1)O)Cl	DEPRJVQVGXOXRN-UHFFFAOYSA-N
DG56142	4-Bromoquinolin-8-ol	384165	"4-bromoquinolin-8-ol; 139399-63-6; 4-BROMO-8-HYDROXYQUINOLINE; 8-Quinolinol, 4-bromo-; 4-Bromo-8-quinolinol; NSC673456; 4-Bromo-8-hydroxyquinoine; CHEMBL1969295; SCHEMBL17502507; DTXSID60327644; ACT10587; ZINC1856922; MFCD08688609; AKOS015919669; NSC-673456; PS-5626; SB71820; NCI60_026026; W3050; Z1702888495"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673456	.	.	.	.	224.05	C9H6BrNO	33.1	165	2.7	12	1	2	0	"InChI=1S/C9H6BrNO/c10-7-4-5-11-9-6(7)2-1-3-8(9)12/h1-5,12H"	C1=CC2=C(C=CN=C2C(=C1)O)Br	CNBUFEUMIIGYIU-UHFFFAOYSA-N
DG56143	3-Chloroquinolin-8-ol	384166	"3-chloroquinolin-8-ol; 102878-83-1; 3-Chloro-8-quinolinol; NSC673457; 8-Quinolinol, 3-chloro-; 3-Chloro-8-hydroxyquinoline; CHEMBL1976720; SCHEMBL18015670; DTXSID20327645; AMY26146; CEA87883; ZINC1856923; MFCD16877648; AKOS022182119; NSC-673457; SB68460; AS-41449; NCI60_026027; CS-0186812; A850652"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673457	.	.	.	.	179.6	C9H6ClNO	33.1	165	2.6	12	1	2	0	"InChI=1S/C9H6ClNO/c10-7-4-6-2-1-3-8(12)9(6)11-5-7/h1-5,12H"	C1=CC2=CC(=CN=C2C(=C1)O)Cl	JMXAPFATOSQMSP-UHFFFAOYSA-N
DG56144	3-Bromoquinolin-8-ol	384167	"3-bromoquinolin-8-ol; 139399-62-5; 3-Bromo-8-quinolinol; NSC673458; 8-Quinolinol, 3-bromo-; 3-Bromo-8-hydroxyquinoline; SCHEMBL3385960; CHEMBL1999179; DTXSID80327646; AMY26126; ZINC1856924; MFCD16877649; AKOS022185488; NSC-673458; SB70318; AS-41450; NCI60_026028; CS-0210831; Z2092370306"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673458	.	.	.	.	224.05	C9H6BrNO	33.1	165	2.7	12	1	2	0	"InChI=1S/C9H6BrNO/c10-7-4-6-2-1-3-8(12)9(6)11-5-7/h1-5,12H"	C1=CC2=CC(=CN=C2C(=C1)O)Br	VYGIVXTVBNTOLP-UHFFFAOYSA-N
DG56145	"3,6-Dichloro-8-quinolinol"	384172	"3,6-Dichloro-8-quinolinol; NSC673463; 3,6-dichloroquinolin-8-ol; 8-quinolinol,3,6-dichloro-; CHEMBL1973582; ZINC1856931; NSC-673463; 158117-57-8; NCI60_026033"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673463	.	.	.	.	214.04	C9H5Cl2NO	33.1	191	3.1	13	1	2	0	"InChI=1S/C9H5Cl2NO/c10-6-1-5-2-7(11)4-12-9(5)8(13)3-6/h1-4,13H"	C1=C2C=C(C=NC2=C(C=C1Cl)O)Cl	DJNGQNQUJOVZPN-UHFFFAOYSA-N
DG56146	"3,6-Dibromoquinolin-8-ol"	384173	"NSC673464; 3,6-dibromoquinolin-8-ol; 8-quinolinol,3,6-dibromo-; 3,6-dibromo-8-quinolinol; 8-Quinolinol, 3,6-dibromo-; CHEMBL1970157; ZINC13222632; NSC-673464; 158117-58-9; NCI60_026034"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673464	.	.	.	.	302.95	C9H5Br2NO	33.1	191	3.2	13	1	2	0	"InChI=1S/C9H5Br2NO/c10-6-1-5-2-7(11)4-12-9(5)8(13)3-6/h1-4,13H"	C1=C2C=C(C=NC2=C(C=C1Br)O)Br	IKRBVJIHPNQEHU-UHFFFAOYSA-N
DG56147	3-Bromo-6-chloro-quinolin-8-ol	384174	"NSC673498; 3-bromo-6-chloro-8-quinolinol; CHEMBL1975231; 3-bromo-6-chloro-quinolin-8-ol; 8-Quinolinol, 3-bromo-6-chloro-; NSC-673498; NCI60_026035"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673498	.	.	.	.	258.5	C9H5BrClNO	33.1	193	3.2	13	1	2	0	"InChI=1S/C9H5BrClNO/c10-6-1-5-2-7(11)3-8(13)9(5)12-4-6/h1-4,13H"	C1=C2C=C(C=NC2=C(C=C1Cl)O)Br	UTZBNSLJVBNZRT-UHFFFAOYSA-N
DG56148	6-Bromo-3-chloroquinolin-8-ol	384175	"6-bromo-3-chloroquinolin-8-ol; NSC673499; 6-bromanyl-3-chloranyl-quinolin-8-ol; 183543-68-2; 6-bromo-3-chloro-8-quinolinol; CHEMBL2006044; 6-bromo-3-chloro-quinolin-8-ol; 8-Quinolinol, 6-bromo-3-chloro-; NSC-673499; NCI60_026036; 7JX"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673499	.	.	.	.	258.5	C9H5BrClNO	33.1	193	3.2	13	1	2	0	"InChI=1S/C9H5BrClNO/c10-6-1-5-2-7(11)4-12-9(5)8(13)3-6/h1-4,13H"	C1=C2C=C(C=NC2=C(C=C1Br)O)Cl	IYXNDLZQIYAJTB-UHFFFAOYSA-N
DG56149	"10-hydroxy-5-(3,4,5-trimethoxyphenyl)-8,9,9a,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-f]indolizin-7-one"	384201	"NSC673606; CHEMBL1973193; NSC-673606; 1,3-Dioxolo[4,5-g]pyrrolo[1,2-b]isoquinolin-7(5H)-one, 8,9,9a,10-tetrahydro-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-; NCI60_026066; 10-hydroxy-5-(3,4,5-trimethoxyphenyl)-8,9,9a,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-f]indolizin-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673606	.	.	.	.	413.4	C22H23NO7	86.7	633	1.7	30	1	7	4	"InChI=1S/C22H23NO7/c1-26-17-6-11(7-18(27-2)22(17)28-3)20-12-8-15-16(30-10-29-15)9-13(12)21(25)14-4-5-19(24)23(14)20/h6-9,14,20-21,25H,4-5,10H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3C(C5N2C(=O)CC5)O)OCO4	JMFYERZFZOBXHV-UHFFFAOYSA-N
DG56150	"11-Hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,9,9a-tetrahydro-[1,3]benzodioxolo[5,6-f]indolizine-7,10-dione"	384205	"NSC673610; CHEMBL1991230; NSC-673610; 11-Hydroxy-5-(3,4,5-trimethoxyphenyl)-9,9a-dihydro[1,3]dioxolo[4,5-g]pyrrolo[1,2-b]isoquinoline-7,10(5H,8H)-dione; NCI60_026070; 11-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,9,9a-tetrahydro-[1,3]benzodioxolo[5,6-f]indolizine-7,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673610	.	.	.	.	427.4	C22H21NO8	104	704	2.5	31	1	8	4	"InChI=1S/C22H21NO8/c1-27-13-6-10(7-14(28-2)21(13)29-3)18-11-8-15-22(31-9-30-15)20(26)17(11)19(25)12-4-5-16(24)23(12)18/h6-8,12,18,26H,4-5,9H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C(=C3C(=O)C5N2C(=O)CC5)O)OCO4	BARMBVQBEBSKCX-UHFFFAOYSA-N
DG56151	"Methyl 1-[(4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate"	384217	"NSC673622; MLS002702259; SMR001565821; cid_384217; CHEMBL1728616; BDBM97334; NSC-673622; methyl 1-[(4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate; NCI60_026082; 2-Pyrrolidinecarboxlic acid,4,5-trimethoxyphenyl)methyl]-5-oxo-, methyl ester; Proline, 1-[(4-methoxyphenyl)(3,4,5-trimethoxyphenyl)methyl]-5-oxo-, methyl ester; 1-[(4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-5-oxo-2-pyrrolidinecarboxylic acid methyl ester; 5-keto-1-[(4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid methyl ester; methyl 1-[(4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxylate; methyl 1-[(4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-5-oxo-pyrrolidine-2-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673622	.	.	.	.	429.5	C23H27NO7	83.5	593	2.8	31	0	7	9	"InChI=1S/C23H27NO7/c1-27-16-8-6-14(7-9-16)21(24-17(23(26)31-5)10-11-20(24)25)15-12-18(28-2)22(30-4)19(13-15)29-3/h6-9,12-13,17,21H,10-11H2,1-5H3"	COC1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3C(CCC3=O)C(=O)OC	QAKWKFBDSZKEDA-UHFFFAOYSA-N
DG56152	"1,3-Benzodioxol-5-yl-(4-methoxyphenyl)methanol"	384224	"NSC673629; 1,3-benzodioxol-5-yl-(4-methoxyphenyl)methanol; SCHEMBL4816680; CHEMBL1970285; NSC-673629; NCI60_026089; benzo[1,3]dioxol-5-yl-(4-methoxy-phenyl)-methanol; benzo[1,3]dioxol-5-yl-(4-methoxy-phenyl) -methanol; 1,3-Benzodioxole-5-methanol, alpha-(4-methoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673629	.	.	.	.	258.269	C15H14O4	47.9	288	2.7	19	1	4	3	"InChI=1S/C15H14O4/c1-17-12-5-2-10(3-6-12)15(16)11-4-7-13-14(8-11)19-9-18-13/h2-8,15-16H,9H2,1H3"	COC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)O	UJGWKTSSCIBXIB-UHFFFAOYSA-N
DG56153	Bis(pivaloyloxymethyl) ester of 2'-Azido-deoxyuridine 5'-monophosphate	384226	NSC673631; CHEMBL1979847; NSC-673631; NCI60_026091; Bis(pivaloyloxymethyl) ester of 2'-Azido-deoxyuridine 5'- monophosphate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673631	.	.	.	.	577.5	C21H32N5O12P	191	1040	1.5	39	2	14	15	"InChI=1S/C21H32N5O12P/c1-20(2,3)17(29)33-10-36-39(32,37-11-34-18(30)21(4,5)6)35-9-12-15(28)14(24-25-22)16(38-12)26-8-7-13(27)23-19(26)31/h7-8,12,14-16,28H,9-11H2,1-6H3,(H,23,27,31)"	CC(C)(C)C(=O)OCOP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)N=[N+]=[N-])O)OCOC(=O)C(C)(C)C	QKKHGQTYOGPULO-UHFFFAOYSA-N
DG56154	2-Ethylaminoestradiol	384235	CHEMBL1627445; NSC673652; MLS002702261; 2-Ethylaminoestradiol; 2-(Ethylamino)-17beta-estradiol; ZINC5499575; BDBM50368999; NSC-673652; NCI60_026101	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673652	.	.	.	.	315.4	C20H29NO2	52.5	441	4.4	23	3	3	2	"InChI=1S/C20H29NO2/c1-3-21-17-11-15-12(10-18(17)22)4-5-14-13(15)8-9-20(2)16(14)6-7-19(20)23/h10-11,13-14,16,19,21-23H,3-9H2,1-2H3/t13-,14+,16-,19-,20-/m0/s1"	CCNC1=C(C=C2CC[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4O)C)O	PVHIGKNDYZNZIH-BKRJIHRRSA-N
DG56155	"4-[(5-Methyl-1,2-oxazol-3-yl)amino]naphthalene-1,2-dione"	384243	"MLS002702262; NSC673784; SMR001565824; 4-[(5-methyl-1,2-oxazol-3-yl)amino]naphthalene-1,2-dione; cid_384243; CHEMBL1706438; BDBM94759; ZINC104312564; ZINC104312570; NSC-673784; NCI60_026105; SR-01000880786; SR-01000880786-2; 4-[(5-methylisoxazol-3-yl)amino]-1,2-naphthoquinone; 4-[(5-methyl-3-isoxazolyl)amino]naphthalene-1,2-dione; 4-[(5-Methylisoxazol-3-yl)amino]naphthalene-1,2-dione; (4E)-2-hydroxy-4-(5-methylisoxazol-3-yl)imino-naphthalen-1-one; 2-Hydroxy-4-((5-methyl-3-isoxazolyl)imino)-1(4H)-naphthalenone; 2-Hydroxy-4-[(5-methylisoxazol-3-yl)imino]naphthalen-1(4H)-one; Naphthalen-1(4H)-one, 2-hydroxy-4-[(5-methyl-3-isoxazolyl)imino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673784	.	.	.	.	254.24	C14H10N2O3	72.2	432	1.9	19	1	5	2	"InChI=1S/C14H10N2O3/c1-8-6-13(16-19-8)15-11-7-12(17)14(18)10-5-3-2-4-9(10)11/h2-7H,1H3,(H,15,16)"	CC1=CC(=NO1)NC2=CC(=O)C(=O)C3=CC=CC=C32	IFSUAZMMRGKLIC-UHFFFAOYSA-N
DG56156	"4-(4-Methyl-5-isoxazolylamino)naphthalene-1,2-dione"	384244	"NSC673785; CHEMBL1983536; NSC-673785; NCI60_026106; 4-(4-Methyl-5-isoxazolylamino)naphthalene-1,2-dione; 2-Hydroxy-4-(4-methyl-5-isoxazolylimino)naphthalen-1(4H)-one; (4E)-2-hydroxy-4-(4-methylisoxazol-5-yl)imino-naphthalen-1-one; 2-Hydroxy-4-((4-methyl-5-isoxazolyl)imino)-1(4H)-naphthalenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673785	.	.	.	.	254.24	C14H10N2O3	72.2	432	1.9	19	1	5	2	"InChI=1S/C14H10N2O3/c1-8-7-15-19-14(8)16-11-6-12(17)13(18)10-5-3-2-4-9(10)11/h2-7,16H,1H3"	CC1=C(ON=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32	ZCBJLZZTJOYJKA-UHFFFAOYSA-N
DG56157	2-[2-[(1-Nitroacridin-9-yl)amino]ethylamino]ethanol	384246	"NSC673792; 2-[2-[(1-nitroacridin-9-yl)amino]ethylamino]ethanol; CHEMBL1977762; NSC-673792; NCI60_026113; 9-Acridinamine, N-[2-[(2-hydroxyethyl)amino]ethyl]-1-nitro-; 2-((2-((1-(Hydroxy(oxido)amino)-9-acridinyl)amino)ethyl)amino)ethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673792	.	.	.	.	326.35	C17H18N4O3	103	417	2.2	24	3	6	6	"InChI=1S/C17H18N4O3/c22-11-10-18-8-9-19-17-12-4-1-2-5-13(12)20-14-6-3-7-15(16(14)17)21(23)24/h1-7,18,22H,8-11H2,(H,19,20)"	C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCNCCO	WWCHZSZUXCSNOQ-UHFFFAOYSA-N
DG56158	"9-Acridinamine, N-[2-[bis(2-hydroxyethyl)amino]ethyl]-7-methoxy-1-nitro-"	384247	"NSC673793; Ethanol, 2,2'-[[2-[(7-methoxy-1-nitro-9-acridinyl)amino]ethyl]imino]bis-; NSC-673793; NCI60_026114; 9-Acridinamine, N-[2-[bis(2-hydroxyethyl)amino]ethyl]-7-methoxy-1-nitro-; 2-[2-hydroxyethyl-[2-[(7-methoxy-1-nitro-acridin-9-yl)amino]ethyl]amino]ethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673793	.	.	.	.	400.4	C20H24N4O5	124	514	2	29	3	8	9	"InChI=1S/C20H24N4O5/c1-29-14-5-6-16-15(13-14)20(21-7-8-23(9-11-25)10-12-26)19-17(22-16)3-2-4-18(19)24(27)28/h2-6,13,25-26H,7-12H2,1H3,(H,21,22)"	COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCN(CCO)CCO	FSFCSVVEPROIAI-UHFFFAOYSA-N
DG56159	9-((3-(Hexylamino)propyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine	384248	"NSC673794; CHEMBL1975408; ZINC5782634; NSC-673794; NCI60_026115; N-hexyl-N'-(7-methoxy-1-nitro-acridin-9-yl)propane-1,3-diamine; 9-((3-(Hexylamino)propyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673794	.	.	.	.	410.5	C23H30N4O3	92	515	6.1	30	2	6	11	"InChI=1S/C23H30N4O3/c1-3-4-5-6-13-24-14-8-15-25-23-18-16-17(30-2)11-12-19(18)26-20-9-7-10-21(22(20)23)27(28)29/h7,9-12,16,24H,3-6,8,13-15H2,1-2H3,(H,25,26)"	CCCCCCNCCCNC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC	ULFUFZLCZTZFOI-UHFFFAOYSA-N
DG56160	"9-Acridinamine, N-[2-[(2-hydroxyethyl)amino]ethyl]-7-methoxy-1-nitro-"	384249	"NSC673795; NSC-673795; NCI60_026116; 2-[2-[(7-methoxy-1-nitro-acridin-9-yl)amino]ethylamino]ethanol; 9-Acridinamine, N-[2-[(2-hydroxyethyl)amino]ethyl]-7-methoxy-1-nitro-; 2-((2-((1-(Hydroxy(oxido)amino)-7-methoxy-9-acridinyl)amino)ethyl)amino)ethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673795	.	.	.	.	356.4	C18H20N4O4	112	461	2.2	26	3	7	7	"InChI=1S/C18H20N4O4/c1-26-12-5-6-14-13(11-12)18(20-8-7-19-9-10-23)17-15(21-14)3-2-4-16(17)22(24)25/h2-6,11,19,23H,7-10H2,1H3,(H,20,21)"	COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCNCCO	JZPIJWMIMBFFJU-UHFFFAOYSA-N
DG56161	"9-Acridinamine, 7-methoxy-N-[2-[[2-(dimethylamino)ethyl]amino]ethyl]-1-nitro-"	384250	"NSC673796; NSC-673796; NCI60_026117; 9-Acridinamine, 7-methoxy-N-[2-[[2-(dimethylamino)ethyl]amino]ethyl]- 1-nitro-; N-(2-dimethylaminoethyl)-N'-(7-methoxy-1-nitro-acridin-9-yl)ethane-1,2-diamine; 9-((2-((2-(Dimethylamino)ethyl)amino)ethyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673796	.	.	.	.	383.4	C20H25N5O3	95.2	501	2.9	28	2	7	8	"InChI=1S/C20H25N5O3/c1-24(2)12-11-21-9-10-22-20-15-13-14(28-3)7-8-16(15)23-17-5-4-6-18(19(17)20)25(26)27/h4-8,13,21H,9-12H2,1-3H3,(H,22,23)"	CN(C)CCNCCNC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC	YQEYGHOCVGTTSK-UHFFFAOYSA-N
DG56162	"9-Acridinamine, N-(3-hydroxypropyl)-7-methoxy-1-nitro-"	384251	"NSC673797; SCHEMBL2914278; NSC-673797; NCI60_026118; 3-[(7-methoxy-1-nitro-acridin-9-yl)amino]propan-1-ol; 9-Acridinamine, N-(3-hydroxypropyl)-7-methoxy-1-nitro-; 3-((1-(Hydroxy(oxido)amino)-7-methoxy-9-acridinyl)amino)-1-propanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673797	.	.	.	.	327.33	C17H17N3O4	100	431	3.5	24	2	6	5	"InChI=1S/C17H17N3O4/c1-24-11-6-7-13-12(10-11)17(18-8-3-9-21)16-14(19-13)4-2-5-15(16)20(22)23/h2,4-7,10,21H,3,8-9H2,1H3,(H,18,19)"	COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCCO	LDRJZRDGRTXWOE-UHFFFAOYSA-N
DG56163	9-((2-(Dimethylamino)-1-methylethyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine	384252	"NSC673798; NSC-673798; NCI60_026119; N2-(7-methoxy-1-nitro-acridin-9-yl)-N1,N1-dimethyl-propane-1,2-diamine; 9-((2-(Dimethylamino)-1-methylethyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673798	.	.	.	.	354.4	C19H22N4O3	83.2	484	3.8	26	1	6	5	"InChI=1S/C19H22N4O3/c1-12(11-22(2)3)20-19-14-10-13(26-4)8-9-15(14)21-16-6-5-7-17(18(16)19)23(24)25/h5-10,12H,11H2,1-4H3,(H,20,21)"	CC(CN(C)C)NC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC	QYDPRQWGHLCCDO-UHFFFAOYSA-N
DG56164	"Hexanoic acid, 6-[(7-methoxy-1-nitro-9-acridinyl)amino]-"	384253	"NSC673799; Hexanoic acid, 6-[(7-methoxy-1-nitro-9-acridinyl)amino]-; NSC-673799; NCI60_026120; 6-[(7-methoxy-1-nitro-acridin-9-yl)amino]hexanoic acid; 6-((1-(Hydroxy(oxido)amino)-7-methoxy-9-acridinyl)amino)hexanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673799	.	.	.	.	383.4	C20H21N3O5	117	540	3.9	28	2	7	8	"InChI=1S/C20H21N3O5/c1-28-13-9-10-15-14(12-13)20(21-11-4-2-3-8-18(24)25)19-16(22-15)6-5-7-17(19)23(26)27/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,21,22)(H,24,25)"	COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCCCCC(=O)O	DMVRDIUGDIVKPU-UHFFFAOYSA-N
DG56165	1-(Hydroxy(oxido)amino)-7-methoxy-9-((3-(methylamino)propyl)amino)acridine	384254	"NSC673800; NSC-673800; NCI60_026121; N'-(7-methoxy-1-nitro-acridin-9-yl)-N-methyl-propane-1,3-diamine; 1-(Hydroxy(oxido)amino)-7-methoxy-9-((3-(methylamino)propyl)amino)acridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673800	.	.	.	.	340.4	C18H20N4O3	92	445	3.8	25	2	6	6	"InChI=1S/C18H20N4O3/c1-19-9-4-10-20-18-13-11-12(25-2)7-8-14(13)21-15-5-3-6-16(17(15)18)22(23)24/h3,5-8,11,19H,4,9-10H2,1-2H3,(H,20,21)"	CNCCCNC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC	JXRWAHJYIDKLGB-UHFFFAOYSA-N
DG56166	9-((5-(Dimethylamino)pentyl)amino)-6-(hydroxy(oxido)amino)-2-methoxyacridine	384255	"NSC673801; NSC-673801; NCI60_026122; N-(2-methoxy-6-nitro-acridin-9-yl)-N',N'-dimethyl-pentane-1,5-diamine; 9-((5-(Dimethylamino)pentyl)amino)-6-(hydroxy(oxido)amino)-2-methoxyacridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673801	.	.	.	.	382.5	C21H26N4O3	83.2	499	4.4	28	1	6	8	"InChI=1S/C21H26N4O3/c1-24(2)12-6-4-5-11-22-21-17-9-7-15(25(26)27)13-20(17)23-19-10-8-16(28-3)14-18(19)21/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,22,23)"	CN(C)CCCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)[N+](=O)[O-])OC	CWYZOPPELONHCA-UHFFFAOYSA-N
DG56167	2-[(2-Methoxy-6-nitro-acridin-9-yl)amino]ethanol	384256	NSC673802; ZINC6005759; NSC-673802; NCI60_026123; 2-[(2-methoxy-6-nitro-acridin-9-yl)amino]ethanol; 2-((6-(Hydroxy(oxido)amino)-2-methoxy-9-acridinyl)amino)ethanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673802	.	.	.	.	313.31	C16H15N3O4	100	417	2.6	23	2	6	4	"InChI=1S/C16H15N3O4/c1-23-11-3-5-14-13(9-11)16(17-6-7-20)12-4-2-10(19(21)22)8-15(12)18-14/h2-5,8-9,20H,6-7H2,1H3,(H,17,18)"	COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NCCO	SRRFTJXVLGVGBA-UHFFFAOYSA-N
DG56168	"9-Acridinamine, N-[3-[bis(2-hydroxyethyl)amino]propyl]-7-methoxy-3-nitro-"	384257	"NSC673803; Ethanol, 2,2'-[[3-[(2-methoxy-6-nitro-9-acridinyl)amino]propyl]imino]bis-; NSC-673803; NCI60_026124; 2-[2-hydroxyethyl-[3-[(2-methoxy-6-nitro-acridin-9-yl)amino]propyl]amino]ethanol; 9-Acridinamine, N-[3-[bis(2-hydroxyethyl)amino]propyl]- 7-methoxy-3-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673803	.	.	.	.	414.5	C21H26N4O5	124	528	2.3	30	3	8	10	"InChI=1S/C21H26N4O5/c1-30-16-4-6-19-18(14-16)21(22-7-2-8-24(9-11-26)10-12-27)17-5-3-15(25(28)29)13-20(17)23-19/h3-6,13-14,26-27H,2,7-12H2,1H3,(H,22,23)"	COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NCCCN(CCO)CCO	TUHARUHHSBFVAD-UHFFFAOYSA-N
DG56169	9-((3-(Dimethylamino)propyl)amino)-6-(hydroxy(oxido)amino)-2-methoxyacridine	384258	"NSC673804; NSC-673804; NCI60_026125; N-(2-methoxy-6-nitro-acridin-9-yl)-N',N'-dimethyl-propane-1,3-diamine; 9-((3-(Dimethylamino)propyl)amino)-6-(hydroxy(oxido)amino)-2-methoxyacridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673804	.	.	.	.	354.4	C19H22N4O3	83.2	470	3.7	26	1	6	6	"InChI=1S/C19H22N4O3/c1-22(2)10-4-9-20-19-15-7-5-13(23(24)25)11-18(15)21-17-8-6-14(26-3)12-16(17)19/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,21)"	CN(C)CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)[N+](=O)[O-])OC	OVSWVIIGLLDHPD-UHFFFAOYSA-N
DG56170	Methyl 3-[(1-nitroacridin-9-yl)amino]propanoate	384259	NSC673805; methyl 3-[(1-nitroacridin-9-yl)amino]propanoate; NSC-673805; NCI60_026126; Methyl 3-((1-(hydroxy(oxido)amino)-9-acridinyl)amino)propanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673805	.	.	.	.	325.32	C17H15N3O4	97	467	3.7	24	1	6	5	"InChI=1S/C17H15N3O4/c1-24-15(21)9-10-18-17-11-5-2-3-6-12(11)19-13-7-4-8-14(16(13)17)20(22)23/h2-8H,9-10H2,1H3,(H,18,19)"	COC(=O)CCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]	LXKKFMDQYDSSEW-UHFFFAOYSA-N
DG56171	"1,3-Dibenzoyl-2-methyl-2,3-dihydro-1H-benzimidazole-2-carbonitrile"	384261	"NSC673807; ZINC1645102; 1,3-Dibenzoyl-2-methyl-2,3-dihydro-1H-benzimidazole-2-carbonitrile; NSC-673807; NCI60_026128; 1,3-dibenzoyl-2-methyl-benzimidazole-2-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673807	.	.	.	.	367.4	C23H17N3O2	64.4	608	3.8	28	0	3	2	"InChI=1S/C23H17N3O2/c1-23(16-24)25(21(27)17-10-4-2-5-11-17)19-14-8-9-15-20(19)26(23)22(28)18-12-6-3-7-13-18/h2-15H,1H3"	CC1(N(C2=CC=CC=C2N1C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C#N	MQEFBVUAOPDQPO-UHFFFAOYSA-N
DG56172	"5-(4-Bromophenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine"	384263	"NSC673811; CHEMBL1972149; NSC-673811; 5-(4-bromophenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine; 5-(4-Bromophenyl)-1,3a-diphenyl-4,5-dihydro-3aH-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine; NCI60_026130; 1,3a-Diphenyl-5-[4-bromophenyl]-4,5-dihydro-3aH-2,10b-diaza-3-oxa-6-thiabenz[e]azulene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673811	.	.	.	.	513.4	C28H21BrN2OS	50.1	698	7.4	33	0	3	3	"InChI=1S/C28H21BrN2OS/c29-23-17-15-20(16-18-23)26-19-28(22-11-5-2-6-12-22)31(24-13-7-8-14-25(24)33-26)27(30-32-28)21-9-3-1-4-10-21/h1-18,26H,19H2"	C1C(SC2=CC=CC=C2N3C1(ON=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)Br	NYIXKOLBAFONPA-UHFFFAOYSA-N
DG56173	"5-(4-Nitrophenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine"	384266	"NSC673814; NSC-673814; 5-(4-nitrophenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine; NCI60_026133; 1,3a-Diphenyl-5-[4-nitrophenyl]-4,5-dihydro-3aH-2,10b-diaza-3-oxa-6-thiabenz[e]azulene; 5-(4-(Hydroxy(oxido)amino)phenyl)-1,3a-diphenyl-4,5-dihydro-3aH-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673814	.	.	.	.	479.6	C28H21N3O3S	96	783	6.5	35	0	5	3	"InChI=1S/C28H21N3O3S/c32-31(33)23-17-15-20(16-18-23)26-19-28(22-11-5-2-6-12-22)30(24-13-7-8-14-25(24)35-26)27(29-34-28)21-9-3-1-4-10-21/h1-18,26H,19H2"	C1C(SC2=CC=CC=C2N3C1(ON=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-]	HIAINHVVQMZDML-UHFFFAOYSA-N
DG56174	"2,5-Diamino-3-[(4-chlorophenyl)diazenyl]-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile"	384286	NSC673844; CHEMBL1999447; AKOS024363673; ZINC104824296; MCULE-2524109935; NSC-673844; NCI60_026154	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673844	.	.	.	.	358.8	C14H11ClN8S	156	516	3.2	24	2	8	3	"InChI=1S/C14H11ClN8S/c1-24-14-9(6-16)11(17)19-13-10(12(18)22-23(13)14)21-20-8-4-2-7(15)3-5-8/h2-5H,1H3,(H2,17,19)(H2,18,22)"	CSC1=C(C(=NC2=C(C(=NN21)N)N=NC3=CC=C(C=C3)Cl)N)C#N	UFUFIRWPMJJMFM-UHFFFAOYSA-N
DG56175	"Methanesulfonamide, N-9,10-ethanoanthracen-9(10H)-yl-"	384296	"NSC673913; N-[ ]ylmethanesulfonamide; CHEMBL1989601; NSC-673913; NCI60_026162; Methanesulfonamide, N-9,10-ethanoanthracen-9(10H)-yl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673913	.	.	.	.	299.4	C17H17NO2S	54.6	485	2.6	21	1	3	2	"InChI=1S/C17H17NO2S/c1-21(19,20)18-17-11-10-12(13-6-2-4-8-15(13)17)14-7-3-5-9-16(14)17/h2-9,12,18H,10-11H2,1H3"	CS(=O)(=O)NC12CCC(C3=CC=CC=C31)C4=CC=CC=C24	OSPPIXPHZXBMRK-UHFFFAOYSA-N
DG56176	"1,7,8,9-Tetrachloro-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene"	384297	"NSC673914; CHEMBL1999001; NSC-673914; NCI60_026163; 4,7-Methanoisobenzofuran, 4,5,6,7-tetrachloro-1,3,3a,4,7,7a-hexahydro-8,8-dimethoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673914	.	.	.	.	334	C11H12Cl4O3	27.7	402	2.6	18	0	3	2	"InChI=1S/C11H12Cl4O3/c1-16-11(17-2)9(14)5-3-18-4-6(5)10(11,15)8(13)7(9)12/h5-6H,3-4H2,1-2H3"	COC1(C2(C3COCC3C1(C(=C2Cl)Cl)Cl)Cl)OC	YWMSFCQNFGCGRQ-UHFFFAOYSA-N
DG56177	"(7,7-Diethoxy-3-((((4-methylphenyl)sulfonyl)oxy)methyl)bicyclo[2.2.1]hept-5-en-2-yl)methyl 4-methylbenzenesulfonate"	384299	"NSC673916; CHEMBL1970064; NSC-673916; (7,7-Diethoxy-3-((((4-methylphenyl)sulfonyl)oxy)methyl)bicyclo[2.2.1]hept-5-en-2-yl)methyl 4-methylbenzenesulfonate; NCI60_026165; [7,7-diethoxy-3-(p-tolylsulfonyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 4-methylbenzenesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673916	.	.	.	.	550.7	C27H34O8S2	122	900	4.4	37	0	8	12	"InChI=1S/C27H34O8S2/c1-5-32-27(33-6-2)25-15-16-26(27)24(18-35-37(30,31)22-13-9-20(4)10-14-22)23(25)17-34-36(28,29)21-11-7-19(3)8-12-21/h7-16,23-26H,5-6,17-18H2,1-4H3"	CCOC1(C2C=CC1C(C2COS(=O)(=O)C3=CC=C(C=C3)C)COS(=O)(=O)C4=CC=C(C=C4)C)OCC	PYDRXDVEZHSWRX-UHFFFAOYSA-N
DG56178	"4-Chloro-N-[8-chloro-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-mercapto-5-methylbenzenesulfonamide"	384309	"NSC673993; CHEMBL338373; 4-Chloro-N-[8-chloro-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-mercapto-5-methylbenzenesulfonamide; BDBM50409825; NSC-673993; NCI60_026172; 4-chloro-N-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methyl-2-sulfanyl-benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673993	.	.	.	.	457.3	C14H9Cl2F3N4O2S2	85.7	651	4.7	27	2	9	3	"InChI=1S/C14H9Cl2F3N4O2S2/c1-6-2-11(10(26)4-8(6)15)27(24,25)22-13-21-20-12-9(16)3-7(5-23(12)13)14(17,18)19/h2-5,26H,1H3,(H,21,22)"	CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN=C3N2C=C(C=C3Cl)C(F)(F)F	AFTIRELMMNXEKC-UHFFFAOYSA-N
DG56179	"4-chloro-5-methyl-2-sulfanyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenesulfonamide"	384325	"NSC674009; CHEMBL338628; BDBM50409885; NSC-674009; 4-chloro-5-methyl-2-sulfanyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenesulfonamide; NCI60_026188; 4-Chloro-2-mercapto-5-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenesulfonamide; 4-chloro-N-hexahydropyrimidin-2-ylidene-5-methyl-2-sulfanyl-benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674009	.	.	.	.	319.8	C11H14ClN3O2S2	79.9	449	1.7	19	3	4	3	"InChI=1S/C11H14ClN3O2S2/c1-7-5-10(9(18)6-8(7)12)19(16,17)15-11-13-3-2-4-14-11/h5-6,18H,2-4H2,1H3,(H2,13,14,15)"	CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NCCCN2	GRGAGWYKXFSYLN-UHFFFAOYSA-N
DG56180	CID 384346	384346	Calystegine B2; 127414-85-1; CHEMBL1984376; NSC674049; NSC-674049; NCI60_026205	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674049	.	.	.	.	175.18	C7H13NO4	93	200	-2.4	12	5	5	0	"InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m0/s1"	C1C[C@@]2([C@@H]([C@H]([C@@H]([C@H]1N2)O)O)O)O	FXFBVZOJVHCEDO-FHKSGDNWSA-N
DG56181	"(1R,2S,3R,6S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,3,6,7-pentol"	384347	CHEMBL1966806; NSC674050; NSC-674050; NCI60_026206	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674050	.	.	.	.	191.18	C7H13NO5	104	213	-3.1	13	5	6	0	"InChI=1S/C7H13NO5/c9-2-1-8-3(4(2)10)5(11)6(12)7(8)13/h2-7,9-13H,1H2/t2-,3+,4 ,5+,6-,7+/m0/s1"	C1[C@@H](C([C@H]2N1[C@@H]([C@H]([C@@H]2O)O)O)O)O	DMJPCXQMRXENTO-ISRSUCOTSA-N
DG56182	stereoisomer of NSC 674066-O	384359	"NSC674066; NSC674067; stereoisomer of NSC 674066-O; Bicyclo[2.2.1]heptan-2-amine,N'-(1,3-phenylene)bis[3-(5-methoxy-1H-indol-3-yl)-, stereoisomer; CHEMBL1972494; stereoisomer of NSC 674067-P; NSC-674066; NSC-674067; NCI60_026217; NCI60_026218"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674066	.	.	.	.	614.8	C40H46N4O2	74.1	965	7.1	46	4	4	10	"InChI=1S/C40H46N4O2/c1-45-29-10-12-35-31(17-29)33(21-41-35)37-25-6-8-27(15-25)39(37)43-19-23-4-3-5-24(14-23)20-44-40-28-9-7-26(16-28)38(40)34-22-42-36-13-11-30(46-2)18-32(34)36/h3-5,10-14,17-18,21-22,25-28,37-44H,6-9,15-16,19-20H2,1-2H3/t25 ,26 ,27 ,28 ,37-,38+,39+,40-"	COC1=CC2=C(C=C1)NC=C2[C@@H]3[C@H](C4CCC3C4)NCC5=CC(=CC=C5)CN[C@H]6[C@@H](C7CCC6C7)C8=CNC9=C8C=C(C=C9)OC	URXXLRJJRZBNJE-QNMHIYQMSA-N
DG56183	"N-[2-Sulfamoyl-4,5-dibromophenyl]-4-hydroxy-3,5-di(tert-butyl)benzamide"	384360	"NSC674068; CHEMBL1985056; ZINC1857007; NSC-674068; NCI60_026219; 3,5-ditert-butyl-N-(4,5-dibromo-2-sulfamoyl-phenyl)-4-hydroxy-benzamide; N-[2-Sulfamoyl-4,5-dibromophenyl]-4-hydroxy-3,5-di(tert-butyl)benzamide; N-(2-(Aminosulfonyl)-4,5-dibromophenyl)-3,5-di-tert-butyl-4-hydroxybenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674068	.	.	.	.	562.3	C21H26Br2N2O4S	118	703	6.2	30	3	5	5	"InChI=1S/C21H26Br2N2O4S/c1-20(2,3)12-7-11(8-13(18(12)26)21(4,5)6)19(27)25-16-9-14(22)15(23)10-17(16)30(24,28)29/h7-10,26H,1-6H3,(H,25,27)(H2,24,28,29)"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NC2=CC(=C(C=C2S(=O)(=O)N)Br)Br	DKQCXNBOMPDQIK-UHFFFAOYSA-N
DG56184	2-[(Dimethylamino)methyl]-4-(phenylazo)phenol	384361	NSC674071; CHEMBL1990229; ZINC6005889; ZINC103980572; NSC-674071; NCI60_026220; 2-[(Dimethylamino)methyl]-4-(phenylazo)phenol; 2-(dimethylaminomethyl)-4-[(E)-phenylazo]phenol; 2-((Dimethylamino)methyl)-4-(phenyldiazenyl)phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674071	.	.	.	.	255.31	C15H17N3O	48.2	287	3.2	19	1	4	4	"InChI=1S/C15H17N3O/c1-18(2)11-12-10-14(8-9-15(12)19)17-16-13-6-4-3-5-7-13/h3-10,19H,11H2,1-2H3"	CN(C)CC1=C(C=CC(=C1)N=NC2=CC=CC=C2)O	JYRZXXWNMUDGMD-UHFFFAOYSA-N
DG56185	2-(dimethylaminomethyl)-4-[(E)-m-tolylazo]phenol	384366	NSC674076; CHEMBL1982344; ZINC6005897; ZINC104312702; NSC-674076; NCI60_026225; 2-(dimethylaminomethyl)-4-[(E)-m-tolylazo]phenol; 4-(3-Methylphenylazo)-2-[(dimethylamino)methyl]phenol; 2-((Dimethylamino)methyl)-4-((3-methylphenyl)diazenyl)phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674076	.	.	.	.	269.34	C16H19N3O	48.2	319	3.5	20	1	4	4	"InChI=1S/C16H19N3O/c1-12-5-4-6-14(9-12)17-18-15-7-8-16(20)13(10-15)11-19(2)3/h4-10,20H,11H2,1-3H3"	CC1=CC(=CC=C1)N=NC2=CC(=C(C=C2)O)CN(C)C	IMYQWHPBWMROPD-UHFFFAOYSA-N
DG56186	"4-(3,4-Dimethylphenylazo)-2-[(dimethylamino)methyl]phenol"	384368	"NSC674078; CHEMBL2001095; ZINC6005901; ZINC104312717; NSC-674078; NCI60_026227; 4-(3,4-Dimethylphenylazo)-2-[(dimethylamino)methyl]phenol; 2-(dimethylaminomethyl)-4-[(E)-(3,4-dimethylphenyl)azo]phenol; 2-((Dimethylamino)methyl)-4-((3,4-dimethylphenyl)diazenyl)phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674078	.	.	.	.	283.37	C17H21N3O	48.2	345	3.9	21	1	4	4	"InChI=1S/C17H21N3O/c1-12-5-6-15(9-13(12)2)18-19-16-7-8-17(21)14(10-16)11-20(3)4/h5-10,21H,11H2,1-4H3"	CC1=C(C=C(C=C1)N=NC2=CC(=C(C=C2)O)CN(C)C)C	HXPYFGPIBVNFIY-UHFFFAOYSA-N
DG56187	"4-(2,6-Dimethylphenylazo)-2-[(dimethylamino)methyl]phenol"	384369	"NSC674079; CHEMBL2005836; ZINC6005902; ZINC104312723; NSC-674079; NCI60_026228; 4-(2,6-Dimethylphenylazo)-2-[(dimethylamino)methyl]phenol; 2-(dimethylaminomethyl)-4-[(E)-(2,6-dimethylphenyl)azo]phenol; 2-((Dimethylamino)methyl)-4-((2,6-dimethylphenyl)diazenyl)phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674079	.	.	.	.	283.37	C17H21N3O	48.2	335	3.9	21	1	4	4	"InChI=1S/C17H21N3O/c1-12-6-5-7-13(2)17(12)19-18-15-8-9-16(21)14(10-15)11-20(3)4/h5-10,21H,11H2,1-4H3"	CC1=C(C(=CC=C1)C)N=NC2=CC(=C(C=C2)O)CN(C)C	PBOOGLDTJWLDNA-UHFFFAOYSA-N
DG56188	N-(2-(Methyl(2-(((2-phenyl-4-quinolinyl)carbonyl)amino)ethyl)amino)ethyl)-2-phenyl-4-quinolinecarboxamide	384377	"NSC674085; CHEMBL1970175; NSC-674085; NCI60_026233; Quinoline-4-carboxamide,N'-[(methylimino) bis(2,1-ethanediyl)]bis(2-phenyl-; N-(2-(Methyl(2-(((2-phenyl-4-quinolinyl)carbonyl)amino)ethyl)amino)ethyl)-2-phenyl-4-quinolinecarboxamide; N-[2-[methyl-[2-[(2-phenylquinoline-4-carbonyl)amino]ethyl]amino]ethyl]-2-phenyl-quinoline-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674085	.	.	.	.	579.7	C37H33N5O2	87.2	846	6.1	44	2	5	10	"InChI=1S/C37H33N5O2/c1-42(22-20-38-36(43)30-24-34(26-12-4-2-5-13-26)40-32-18-10-8-16-28(30)32)23-21-39-37(44)31-25-35(27-14-6-3-7-15-27)41-33-19-11-9-17-29(31)33/h2-19,24-25H,20-23H2,1H3,(H,38,43)(H,39,44)"	CN(CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3)CCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6	LTQAJWGSUGQUPR-UHFFFAOYSA-N
DG56189	2-phenyl-N-[3-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]butylamino]propyl]quinoline-4-carboxamide	384384	NSC674091; CHEMBL1986094; NSC-674091; 2-phenyl-N-[3-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]butylamino]propyl]quinoline-4-carboxamide; NCI60_026239; 2-Phenyl-N-(3-((4-((3-(((2-phenyl-4-quinolinyl)carbonyl)amino)propyl)amino)butyl)amino)propyl)-4-quinolinecarboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674091	.	.	.	.	664.8	C42H44N6O2	108	921	6.6	50	4	6	17	"InChI=1S/C42H44N6O2/c49-41(35-29-39(31-15-3-1-4-16-31)47-37-21-9-7-19-33(35)37)45-27-13-25-43-23-11-12-24-44-26-14-28-46-42(50)36-30-40(32-17-5-2-6-18-32)48-38-22-10-8-20-34(36)38/h1-10,15-22,29-30,43-44H,11-14,23-28H2,(H,45,49)(H,46,50)"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCCCNCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6	UKCDZDJZYKMPAA-UHFFFAOYSA-N
DG56190	2-phenyl-N-[3-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propyl]piperazin-1-yl]propyl]quinoline-4-carboxamide	384386	"NSC674092; CHEMBL2008301; STK438272; ZINC82171168; AKOS003298747; MCULE-1571610556; 2-phenyl-N-[3-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propyl]piperazin-1-yl]propyl]quinoline-4-carboxamide; NCI60_026240; N,N'-(piperazine-1,4-diyldipropane-3,1-diyl)bis(2-phenylquinoline-4-carboxamide); 2-Phenyl-N-(3-(4-(3-(((2-phenyl-4-quinolinyl)carbonyl)amino)propyl)-1-piperazinyl)propyl)-4-quinolinecarboxamide hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674092	.	.	.	.	662.8	C42H42N6O2	90.5	971	6.6	50	2	6	12	"InChI=1S/C42H42N6O2/c49-41(35-29-39(31-13-3-1-4-14-31)45-37-19-9-7-17-33(35)37)43-21-11-23-47-25-27-48(28-26-47)24-12-22-44-42(50)36-30-40(32-15-5-2-6-16-32)46-38-20-10-8-18-34(36)38/h1-10,13-20,29-30H,11-12,21-28H2,(H,43,49)(H,44,50)"	C1CN(CCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)CCCNC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC=CC=C7	RGSYGZZGUHHNSQ-UHFFFAOYSA-N
DG56191	2-phenyl-N-[8-[(2-phenylquinoline-4-carbonyl)amino]octyl]quinoline-4-carboxamide	384387	NSC674093; CHEMBL1998941; AKOS003889266; NSC-674093; 2-phenyl-N-[8-[(2-phenylquinoline-4-carbonyl)amino]octyl]quinoline-4-carboxamide; NCI60_026241; 2-Phenyl-N-(8-(((2-phenyl-4-quinolinyl)carbonyl)amino)octyl)-4-quinolinecarboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674093	.	.	.	.	606.8	C40H38N4O2	84	856	8.5	46	2	4	13	"InChI=1S/C40H38N4O2/c45-39(33-27-37(29-17-7-5-8-18-29)43-35-23-13-11-21-31(33)35)41-25-15-3-1-2-4-16-26-42-40(46)34-28-38(30-19-9-6-10-20-30)44-36-24-14-12-22-32(34)36/h5-14,17-24,27-28H,1-4,15-16,25-26H2,(H,41,45)(H,42,46)"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCCCCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6	ZFLISLRWWIBXEH-UHFFFAOYSA-N
DG56192	"2,2,2-trifluoro-N-(6-methoxy-2-phenyl-8-propyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-yl)acetamide"	384395	"NSC674118; CHEMBL2003067; NSC-674118; 2,2,2-trifluoro-N-(6-methoxy-2-phenyl-8-propyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-yl)acetamide; NCI60_026266; Methyl 4,6-O-benzylidene-2,3-dideoxy-3-propyl-3-((trifluoroacetyl)amino)hexopyranoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674118	.	.	.	.	403.4	C19H24F3NO5	66	540	3	28	1	8	5	"InChI=1S/C19H24F3NO5/c1-3-9-18(23-17(24)19(20,21)22)10-14(25-2)27-13-11-26-16(28-15(13)18)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3,(H,23,24)"	CCCC1(CC(OC2C1OC(OC2)C3=CC=CC=C3)OC)NC(=O)C(F)(F)F	WHOKFUQXNVEIBT-UHFFFAOYSA-N
DG56193	bis(Perfluorobutylsulfonyl)methylenephenyliodine	384396	NSC674120; bis(Perfluorobutylsulfonyl)methylenephenyliodine; CHEMBL1988693; DTXSID50897467; AKOS004900903; NSC-674120; 681477-42-9; NCI60_026268; Phenyliodoniobis(nonafluorobutylsulfonyl)methanide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674120	.	.	.	.	782.2	C15H5F18IO4S2	85	1100	7.4	40	0	22	9	"InChI=1S/C15H5F18IO4S2/c16-8(17,12(24,25)26)10(20,21)14(30,31)39(35,36)7(34-6-4-2-1-3-5-6)40(37,38)15(32,33)11(22,23)9(18,19)13(27,28)29/h1-5H"	C1=CC=C(C=C1)I=C(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	JSICGBRQXBLHDU-UHFFFAOYSA-N
DG56194	CID 384400	384400	"MLS002702264; SMR001565826; NSC674127; CHEMBL1722228; NSC-674127; Pyrido[2, 6-[11-(4,4-diphenyl- 1-piperidinyl)undecanoyl]-2,7-dimethyl- 3-[2-(4-morpholinyl)ethyl]-5-(3-nitrophenyl)-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674127	.	.	.	.	849.5	C49H61ClN6O5	124	1370	.	61	1	9	18	"InChI=1S/C49H60N6O5.ClH/c1-37-44(45(39-18-17-23-42(36-39)55(58)59)46-47(50-37)51-38(2)54(48(46)57)31-30-53-32-34-60-35-33-53)43(56)24-15-7-5-3-4-6-8-16-27-52-28-25-49(26-29-52,40-19-11-9-12-20-40)41-21-13-10-14-22-41;/h9-14,17-23,36H,3-8,15-16,24-35H2,1-2H3;1H"	CC1=C(C(=C2C(=N1)N=C(N(C2=O)CCN3CCOCC3)C)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)CCCCCCCCCCN5CCC(CC5)(C6=CC=CC=C6)C7=CC=CC=C7.Cl	WIDGPCWVVLXSRT-UHFFFAOYSA-N
DG56195	4-(1-Isobutyloxypropen-2-yl-)-2-methoxyphenylisobutyrat	384403	NSC674131; SCHEMBL5696969; CHEMBL1985876; NSC-674131; NCI60_026274; 4-(1-isobutyloxypropen-2-yl-)-2-methoxyphenylisobutyrat	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674131	.	.	.	.	290.4	C17H22O4	52.6	365	4.3	21	0	4	8	"InChI=1S/C17H22O4/c1-6-15(21-17(19)12(4)5)13-7-9-14(10-8-13)20-16(18)11(2)3/h6-12,15H,1H2,2-5H3"	CC(C)C(=O)OC1=CC=C(C=C1)C(C=C)OC(=O)C(C)C	AXABLKVJKXKCGT-UHFFFAOYSA-N
DG56196	"(9-Benzyl-2-methyl-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl) acetate"	384421	"NSC674198; CHEMBL2002527; (9-benzyl-2-methyl-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl) acetate; 9-Benzyl-2-methyl-4-oxo-4,9-dihydro[1,3]oxazino[4,5-b]indol-6-yl acetate; NSC-674198; NCI60_026291"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674198	.	.	.	.	348.4	C20H16N2O4	69.9	599	3	26	0	5	4	"InChI=1S/C20H16N2O4/c1-12-21-19-18(20(24)25-12)16-10-15(26-13(2)23)8-9-17(16)22(19)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3"	CC1=NC2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)OC(=O)C)C(=O)O1	IZZTZWBXIBJROK-UHFFFAOYSA-N
DG56197	"2-(Dimethylamino)-5-methyl-7-phenylpyrrolo[3,4-d][1,3]oxazin-4(6H)-one"	384422	"NSC674199; CHEMBL2005918; 2-(dimethylamino)-5-methyl-7-phenyl-6H-pyrrolo[3,4-d][1,3]oxazin-4-one; 2-(Dimethylamino)-5-methyl-7-phenylpyrrolo[3,4-d][1,3]oxazin-4(6H)-one; NSC-674199; NCI60_026292"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674199	.	.	.	.	269.3	C15H15N3O2	57.7	415	2.1	20	1	3	2	"InChI=1S/C15H15N3O2/c1-9-11-13(17-15(18(2)3)20-14(11)19)12(16-9)10-7-5-4-6-8-10/h4-8,16H,1-3H3"	CC1=C2C(=C(N1)C3=CC=CC=C3)N=C(OC2=O)N(C)C	FHVGKFLBKYBWEK-UHFFFAOYSA-N
DG56198	"2,5-Dimethyl-7-phenylpyrrolo[3,4-d][1,3]oxazin-4(6H)-one"	384423	"NSC674200; CHEMBL1986493; 2,5-dimethyl-7-phenyl-6H-pyrrolo[3,4-d][1,3]oxazin-4-one; 2,5-Dimethyl-7-phenylpyrrolo[3,4-d][1,3]oxazin-4(6H)-one; NSC-674200; NCI60_026293"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674200	.	.	.	.	240.26	C14H12N2O2	54.4	374	2.1	18	1	3	1	"InChI=1S/C14H12N2O2/c1-8-11-13(16-9(2)18-14(11)17)12(15-8)10-6-4-3-5-7-10/h3-7,15H,1-2H3"	CC1=C2C(=C(N1)C3=CC=CC=C3)N=C(OC2=O)C	ABOYUJYHSRKRAH-UHFFFAOYSA-N
DG56199	"[9-(Methoxymethyl)-2-methyl-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl] acetate"	384426	"NSC674203; CHEMBL1994530; [9-(methoxymethyl)-2-methyl-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl] acetate; NSC-674203; 9-(Methoxymethyl)-2-methyl-4-oxo-4,9-dihydro[1,3]oxazino[4,5-b]indol-6-yl acetate; NCI60_026296"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674203	.	.	.	.	302.28	C15H14N2O5	79.1	506	1.3	22	0	6	4	"InChI=1S/C15H14N2O5/c1-8-16-14-13(15(19)21-8)11-6-10(22-9(2)18)4-5-12(11)17(14)7-20-3/h4-6H,7H2,1-3H3"	CC1=NC2=C(C3=C(N2COC)C=CC(=C3)OC(=O)C)C(=O)O1	QACPAUUVVFHQKW-UHFFFAOYSA-N
DG56200	"7-(Methoxymethyl)-2,5,6-trimethylpyrrolo[2,3-d][1,3]oxazin-4(7H)-one"	384434	"NSC674211; CHEMBL1966484; 7-(Methoxymethyl)-2,5,6-trimethylpyrrolo[2,3-d][1,3]oxazin-4(7H)-one; NSC-674211; NCI60_026302; 7-(methoxymethyl)-2,5,6-trimethyl-pyrrolo[2,3-d][1,3]oxazin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674211	.	.	.	.	222.24	C11H14N2O3	52.8	329	1	16	0	4	2	"InChI=1S/C11H14N2O3/c1-6-7(2)13(5-15-4)10-9(6)11(14)16-8(3)12-10/h5H2,1-4H3"	CC1=C(N(C2=C1C(=O)OC(=N2)C)COC)C	QXXBQFYNTVIFBT-UHFFFAOYSA-N
DG56201	"5-Bromo-7-methoxy-2-(2-thienyl)-1,3-benzoxazole"	384437	"NSC674215; 5-Bromo-7-methoxy-2-(2-thienyl)-1,3-benzoxazole; CHEMBL2003062; NSC-674215; NCI60_026306; 2-(2-Thienyl)-5-bromo-7-methoxybenzoxazole; 5-Bromo-2-(2-thienyl)-1,3-benzoxazol-7-yl methyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674215	.	.	.	.	310.17	C12H8BrNO2S	63.5	281	3.8	17	0	4	2	"InChI=1S/C12H8BrNO2S/c1-15-9-6-7(13)5-8-11(9)16-12(14-8)10-3-2-4-17-10/h2-6H,1H3"	COC1=CC(=CC2=C1OC(=N2)C3=CC=CS3)Br	DUHIRPOEHIKLDN-UHFFFAOYSA-N
DG56202	NSC674222	384441	"10,23-Dinitro-6,19-dioxa-1,14,27,28-tetrazapentacyclo[18.6.1.17,14.08,13.021,26]octacosa-7(28),8(13),9,11,20(27),21(26),22,24-octaene; NSC674222; CHEMBL1998473; NSC-674222; NCI60_026310; 5,22:16,11-Dinitrilodibenzo[c,l][1,10,5,14]dioxadiazacyclooctadecine, 6,7,8,9,17,18,19,20-octahydro-2,13-dinitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674222	.	.	.	.	466.4	C22H22N6O6	146	674	4.3	34	0	8	0	"InChI=1S/C22H22N6O6/c29-27(30)15-5-7-19-17(13-15)21-23-25(19)9-1-3-11-33-22-18-14-16(28(31)32)6-8-20(18)26(24-22)10-2-4-12-34-21/h5-8,13-14H,1-4,9-12H2"	C1CCOC2=NN(CCCCOC3=NN(C1)C4=C3C=C(C=C4)[N+](=O)[O-])C5=C2C=C(C=C5)[N+](=O)[O-]	PKLXIQMORGRBLV-UHFFFAOYSA-N
DG56203	"2,7-Bis(methoxycarbonylmethyl)-10-methylphenothiazine"	384444	"NSC674225; 2,7-Bis(methoxycarbonylmethyl)-10-methylphenothiazine; CHEMBL1972151; NSC-674225; NCI60_026313; 10-Methyl-10H-phenothiazine-2,7-diacetic acid dimethyl ester; 2,7-bis(methyloxycarbonylmethyl)-10-methyl-10h-phenothiazine; methyl 2-[7-(2-methoxy-2-oxo-ethyl)-10-methyl-phenothiazin-2-yl]acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674225	.	.	.	.	357.4	C19H19NO4S	81.1	500	3.3	25	0	6	6	"InChI=1S/C19H19NO4S/c1-20-14-6-4-13(11-19(22)24-3)9-17(14)25-16-7-5-12(8-15(16)20)10-18(21)23-2/h4-9H,10-11H2,1-3H3"	CN1C2=C(C=C(C=C2)CC(=O)OC)SC3=C1C=C(C=C3)CC(=O)OC	MFIZDNSYHGUUBM-UHFFFAOYSA-N
DG56204	Ethyl 5-(2-thienyl)-1H-pyrrole-2-carboxylate	384453	NSC674233; Ethyl 5-(2-thienyl)-1H-pyrrole-2-carboxylate; CHEMBL1990266; NSC-674233; NCI60_026321; 5-(2-Thienyl)-1H-pyrrole-2-carboxylic acid ethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674233	.	.	.	.	221.28	C11H11NO2S	70.3	235	2.6	15	1	3	4	"InChI=1S/C11H11NO2S/c1-2-14-11(13)9-6-5-8(12-9)10-4-3-7-15-10/h3-7,12H,2H2,1H3"	CCOC(=O)C1=CC=C(N1)C2=CC=CS2	HNNDTQISHZONEW-UHFFFAOYSA-N
DG56205	2-(2-acetyl-1H-benzimidazol-1-yl)-1-phenylethanone	384454	"NSC674256; CHEMBL270144; 2-(2-acetyl-1H-benzimidazol-1-yl)-1-phenylethanone; BDBM50371854; STL257911; ZINC13214615; AKOS022097893; MCULE-9146834889; NSC-674256; NCI60_026322; 2-(2-acetylbenzimidazol-1-yl)-1-phenyl-ethanone; Ethanone, 2-(2-acetyl-1H-benzimidazol-1-yl)-1-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674256	.	.	.	.	278.3	C17H14N2O2	52	404	3	21	0	3	4	"InChI=1S/C17H14N2O2/c1-12(20)17-18-14-9-5-6-10-15(14)19(17)11-16(21)13-7-3-2-4-8-13/h2-10H,11H2,1H3"	CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC=CC=C3	FKGQXFATCKEKIR-UHFFFAOYSA-N
DG56206	2-(2-Acetylbenzimidazol-1-yl)-1-(4-chlorophenyl)ethanone	384455	"NSC674257; CHEMBL403905; 2-(2-acetylbenzimidazol-1-yl)-1-(4-chlorophenyl)ethanone; BDBM50371865; ZINC13214608; NSC-674257; NCI60_026323; Ethanone, 2-(2-acetyl-1H-benzimidazol-1-yl)-1-(4-chlorophenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674257	.	.	.	.	312.7	C17H13ClN2O2	52	434	3.6	22	0	3	4	"InChI=1S/C17H13ClN2O2/c1-11(21)17-19-14-4-2-3-5-15(14)20(17)10-16(22)12-6-8-13(18)9-7-12/h2-9H,10H2,1H3"	CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)Cl	AABPSESTZLBZAJ-UHFFFAOYSA-N
DG56207	2-(2-Acetylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone	384456	"NSC674258; MLS002702266; CHEMBL1904382; 2-(2-acetylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone; ZINC13214610; NSC-674258; NCI60_026324; SMR001565828; Ethanone, 2-(2-acetyl-1H-benzimidazol-1-yl)-1-(4-methoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674258	.	.	.	.	308.3	C18H16N2O3	61.2	446	2.9	23	0	4	5	"InChI=1S/C18H16N2O3/c1-12(21)18-19-15-5-3-4-6-16(15)20(18)11-17(22)13-7-9-14(23-2)10-8-13/h3-10H,11H2,1-2H3"	CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)OC	SGPGEGNAZBZTRE-UHFFFAOYSA-N
DG56208	2-(2-Acetylbenzimidazol-1-yl)-1-(4-nitrophenyl)ethanone	384457	NSC674259; CHEMBL272310; 2-(2-acetylbenzimidazol-1-yl)-1-(4-nitrophenyl)ethanone; BDBM50371834; ZINC13214613; NSC-674259; NCI60_026325; 2-(2-Acetyl-benzoimidazol-1-yl)-1-(4-nitro-phenyl)-ethanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674259	.	.	.	.	323.3	C17H13N3O4	97.8	511	2.8	24	0	5	4	"InChI=1S/C17H13N3O4/c1-11(21)17-18-14-4-2-3-5-15(14)19(17)10-16(22)12-6-8-13(9-7-12)20(23)24/h2-9H,10H2,1H3"	CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]	CZGLDORDWWTIHM-UHFFFAOYSA-N
DG56209	2-(2-Benzoylbenzimidazol-1-yl)-1-phenyl-ethanone	384459	"NSC674261; CBMicro_030030; Oprea1_132685; Oprea1_143673; CHEMBL1652096; ZINC35104; 1-phenacyl-2-benzoylbenzimidazole; STK723332; AKOS000623504; CCG-107936; MCULE-2144649148; NSC-674261; NCI60_026327; BIM-0030065.P001; EU-0040237; 2-(2-benzoylbenzimidazol-1-yl)-1-phenyl-ethanone; SR-01000451426; SR-01000451426-1; 2-(2-Benzoyl-1H-benzimidazol-1-yl)-1-phenylethanone; 1-phenyl-2-[2-(phenylcarbonyl)-1H-benzimidazol-1-yl]ethanone; 2-(2-benzoyl-1H-1,3-benzimidazol-1-yl)-1-phenyl-1-ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674261	.	.	.	.	340.4	C22H16N2O2	52	508	4.6	26	0	3	5	"InChI=1S/C22H16N2O2/c25-20(16-9-3-1-4-10-16)15-24-19-14-8-7-13-18(19)23-22(24)21(26)17-11-5-2-6-12-17/h1-14H,15H2"	C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)C4=CC=CC=C4	ZJUAZFQIZDHPIY-UHFFFAOYSA-N
DG56210	2-(2-Benzoyl-1H-benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone	384460	"2-(2-Benzoyl-1H-benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone; 170031-78-4; UNII-Y4Z5DEM2EZ; NSC674262; Y4Z5DEM2EZ; MLS002702267; NSC 674262; 2-(2-benzoylbenzimidazol-1-yl)-1-(4-chlorophenyl)ethanone; CHEMBL1652100; DTXSID30168788; ZINC13223098; NSC-674262; NCI60_026328; SMR001565829; Ethanone, 2-(2-benzoyl-1H-benzimidazol-1-yl)- 1-(4-chlorophenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674262	.	.	.	.	374.8	C22H15ClN2O2	52	540	5.3	27	0	3	5	"InChI=1S/C22H15ClN2O2/c23-17-12-10-15(11-13-17)20(26)14-25-19-9-5-4-8-18(19)24-22(25)21(27)16-6-2-1-3-7-16/h1-13H,14H2"	C1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3N2CC(=O)C4=CC=C(C=C4)Cl	YTSSBNADZGMOBZ-UHFFFAOYSA-N
DG56211	"2-Phenylpyrido[1,2-a]benzimidazol-4-ol"	384461	"NSC674263; 2-Phenylpyrido[1,2-a]benzimidazol-4-ol; CHEMBL2006403; NSC-674263; NCI60_026329"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674263	.	.	.	.	260.29	C17H12N2O	37.5	342	4.5	20	1	2	1	"InChI=1S/C17H12N2O/c20-16-10-13(12-6-2-1-3-7-12)11-19-15-9-5-4-8-14(15)18-17(16)19/h1-11,20H"	C1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C2)O	IUHCEWBOCPNTBP-UHFFFAOYSA-N
DG56212	"2-(4-Methylphenyl)pyrido[1,2-a]benzimidazol-4-ol"	384462	"NSC674264; 2-(4-Methylphenyl)pyrido[1,2-a]benzimidazol-4-ol; Oprea1_830956; CHEMBL1992103; NSC-674264; NCI60_026330; 2-(p-tolyl)pyrido[1,2-a]benzimidazol-4-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674264	.	.	.	.	274.3	C18H14N2O	37.5	366	4.8	21	1	2	1	"InChI=1S/C18H14N2O/c1-12-6-8-13(9-7-12)14-10-17(21)18-19-15-4-2-3-5-16(15)20(18)11-14/h2-11,21H,1H3"	CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C2)O	YHWZUALEVUPJAX-UHFFFAOYSA-N
DG56213	"2-(4-Chlorophenyl)pyrido[1,2-a]benzimidazol-4-ol"	384463	"NSC674265; 2-(4-Chlorophenyl)pyrido[1,2-a]benzimidazol-4-ol; Oprea1_408162; CHEMBL1967263; ZINC13230343; NSC-674265; NCI60_026331"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674265	.	.	.	.	294.7	C17H11ClN2O	37.5	372	5.1	21	1	2	1	"InChI=1S/C17H11ClN2O/c18-13-7-5-11(6-8-13)12-9-16(21)17-19-14-3-1-2-4-15(14)20(17)10-12/h1-10,21H"	C1=CC=C2C(=C1)N=C3N2C=C(C=C3O)C4=CC=C(C=C4)Cl	IRNLXYHYBPEFNR-UHFFFAOYSA-N
DG56214	"1-Methyl-2-phenylpyrido[1,2-a]benzimidazol-4-ol"	384466	"NSC674268; 1-Methyl-2-phenylpyrido[1,2-a]benzimidazol-4-ol; CHEMBL2002884; NSC-674268; NCI60_026334; 1-methyl-2-phenyl-pyrido[1,2-a]benzimidazol-4-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674268	.	.	.	.	274.3	C18H14N2O	37.5	368	4.9	21	1	2	1	"InChI=1S/C18H14N2O/c1-12-14(13-7-3-2-4-8-13)11-17(21)18-19-15-9-5-6-10-16(15)20(12)18/h2-11,21H,1H3"	CC1=C(C=C(C2=NC3=CC=CC=C3N12)O)C4=CC=CC=C4	WJQRGKKWFXPXMV-UHFFFAOYSA-N
DG56215	"1-Methyl-3-phenylpyrazino[1,2-a]benzimidazole"	384468	"1-Methyl-3-phenylpyrazino[1,2-a]benzimidazole; NSC674270; MLS000701128; CHEMBL1363482; CHEBI:109771; HMS2623N19; ZINC481244; MCULE-8698119376; NSC-674270; NCI60_026336; SMR000226769; 1-methyl-3-phenyl-pyrazino[1,2-a]benzimidazole; AJ-131/36477015; Q27189058"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674270	.	.	.	.	259.3	C17H13N3	30.2	339	4.2	20	0	2	1	"InChI=1S/C17H13N3/c1-12-17-19-14-9-5-6-10-16(14)20(17)11-15(18-12)13-7-3-2-4-8-13/h2-11H,1H3"	CC1=NC(=CN2C1=NC3=CC=CC=C32)C4=CC=CC=C4	OZEPKGBSALEXRT-UHFFFAOYSA-N
DG56216	"1-Methyl-3-(4-methylphenyl)pyrazino[1,2-a]benzimidazole"	384469	"NSC674271; 1-Methyl-3-(4-methylphenyl)pyrazino[1,2-a]benzimidazole; CHEMBL1973664; ZINC984817; NSC-674271; NCI60_026337; 1-methyl-3-(p-tolyl)pyrazino[1,2-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674271	.	.	.	.	273.3	C18H15N3	30.2	364	4.5	21	0	2	1	"InChI=1S/C18H15N3/c1-12-7-9-14(10-8-12)16-11-21-17-6-4-3-5-15(17)20-18(21)13(2)19-16/h3-11H,1-2H3"	CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=N2)C	FPKHOXPCSMHJHA-UHFFFAOYSA-N
DG56217	"Pyrazino[1,2-a]benzimidazole, 3-(4-chlorophenyl)-1-methyl-"	384470	"NSC674272; CHEMBL1998480; Pyrazino[1,2-a]benzimidazole, 3-(4-chlorophenyl)-1-methyl-; NSC-674272; NCI60_026338; 3-(4-chlorophenyl)-1-methyl-pyrazino[1,2-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674272	.	.	.	.	293.7	C17H12ClN3	30.2	369	4.8	21	0	2	1	"InChI=1S/C17H12ClN3/c1-11-17-20-14-4-2-3-5-16(14)21(17)10-15(19-11)12-6-8-13(18)9-7-12/h2-10H,1H3"	CC1=NC(=CN2C1=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl	DXWQHDWBGAZUQA-UHFFFAOYSA-N
DG56218	"3-(4-Methoxyphenyl)-1-methylpyrazino[1,2-a]benzimidazole"	384471	"NSC674273; 3-(4-Methoxyphenyl)-1-methylpyrazino[1,2-a]benzimidazole; CHEMBL2002159; NSC-674273; NCI60_026339; 3-(4-methoxyphenyl)-1-methyl-pyrazino[1,2-a]benzimidazole; Methyl 4-(1-methylpyrazino[1,2-a]benzimidazol-3-yl)phenyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674273	.	.	.	.	289.3	C18H15N3O	39.4	383	4.2	22	0	3	2	"InChI=1S/C18H15N3O/c1-12-18-20-15-5-3-4-6-17(15)21(18)11-16(19-12)13-7-9-14(22-2)10-8-13/h3-11H,1-2H3"	CC1=NC(=CN2C1=NC3=CC=CC=C32)C4=CC=C(C=C4)OC	XUVJJXREKKCPGD-UHFFFAOYSA-N
DG56219	"1,3-Diphenylpyrazino[1,2-a]benzimidazole"	384474	"1,3-Diphenylpyrazino[1,2-a]benzimidazole; NSC674276; Oprea1_041508; Pyrazino[1, 1,3-diphenyl-; CHEMBL1652105; ZINC1474002; AKOS001019718; MCULE-7495298630; NSC-674276; NCI60_026342; EU-0086005; {Pyrazino[1,2-a]benzimidazole,} 1,3-diphenyl-; 1,3-diphenylpyrazino[1,2-a][1,3]benzimidazole; SR-01000532380; SR-01000532380-1; Z56813287; 10,12-diphenyl-1,8,11-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene; 25561-65-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674276	.	.	.	.	321.4	C22H15N3	30.2	441	5.4	25	0	2	2	InChI=1S/C22H15N3/c1-3-9-16(10-4-1)19-15-25-20-14-8-7-13-18(20)24-22(25)21(23-19)17-11-5-2-6-12-17/h1-15H	C1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=N2)C5=CC=CC=C5	PIOPJJVCIAANDM-UHFFFAOYSA-N
DG56220	"3-(4-Chlorophenyl)-1-phenylpyrazino[1,2-a]benzimidazole"	384476	"NSC674278; 3-(4-Chlorophenyl)-1-phenylpyrazino[1,2-a]benzimidazole; NSC-674278; CHEMBL1287896; ZINC984818; MCULE-6899134639; NCI60_026344; AJ-131/36477019; 3-(4-chlorophenyl)-1-phenyl-pyrazino[1,2-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674278	.	.	.	.	355.8	C22H14ClN3	30.2	472	6.1	26	0	2	2	InChI=1S/C22H14ClN3/c23-17-12-10-15(11-13-17)19-14-26-20-9-5-4-8-18(20)25-22(26)21(24-19)16-6-2-1-3-7-16/h1-14H	C1=CC=C(C=C1)C2=NC(=CN3C2=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl	YDDCEKLWCMVLRN-UHFFFAOYSA-N
DG56221	NSC674282	384478	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-methoxybenzoate; NSC674282; CHEMBL1965742; NSC-674282; NCI60_026346"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674282	.	.	.	.	869.9	C44H55NO17	253	1820	2.5	62	4	17	16	"InChI=1S/C44H55NO17/c1-21-27(59-38(52)32(49)31(26-15-12-16-56-26)45-39(53)62-40(4,5)6)19-44(54)36(60-37(51)24-13-11-14-25(17-24)55-10)34-42(9,28(48)18-29-43(34,20-57-29)61-23(3)47)35(50)33(58-22(2)46)30(21)41(44,7)8/h11-17,27-29,31-34,36,48-49,54H,18-20H2,1-10H3,(H,45,53)/t27-,28-,29+,31-,32+,33+,34-,36-,42+,43-,44+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CO5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC(=CC=C6)OC)(CO4)OC(=O)C)O)C)OC(=O)C	MWSYKNKNMMTOJD-BGKJQISDSA-N
DG56222	NSC674283	384479	"(2S)-2-[1-[1-[(2S)-2-hydroxypropanoyl]pyrrolidin-2-yl]-1-oxopropan-2-yl]-N-[(4S,5R,8S,11S,17S,20S,22S)-29-methoxy-8-[(4-methoxyphenyl)methyl]-5,9,20-trimethyl-17-(2-methylpropyl)-3,7,10,16,19,21,24-heptaoxo-22-propan-2-yl-6,23-dioxa-2,9,15,18-tetrazatricyclo[23.3.1.011,15]nonacosa-1(28),25(29),26-trien-4-yl]-4-methylpentanamide; NSC674283; NSC-674283; NCI60_026347"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674283	.	.	.	.	1103.3	C58H82N6O15	274	2180	6.6	79	4	15	15	"InChI=1S/C58H82N6O15/c1-30(2)27-40(33(7)47(66)43-19-15-25-63(43)54(71)35(9)65)52(69)61-46-36(10)78-58(75)45(29-37-21-23-38(76-12)24-22-37)62(11)56(73)44-20-16-26-64(44)55(72)42(28-31(3)4)60-51(68)34(8)48(67)49(32(5)6)79-57(74)39-17-14-18-41(50(39)77-13)59-53(46)70/h14,17-18,21-24,30-36,40,42-46,49,65H,15-16,19-20,25-29H2,1-13H3,(H,59,70)(H,60,68)(H,61,69)/t33 ,34-,35-,36+,40-,42-,43 ,44-,45-,46-,49-/m0/s1"	C[C@@H]1[C@@H](C(=O)NC2=CC=CC(=C2OC)C(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N([C@H](C(=O)O1)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)NC(=O)[C@@H](CC(C)C)C(C)C(=O)C5CCCN5C(=O)[C@H](C)O	XHMBJYWSAQWKED-ZRHRTSRVSA-N
DG56223	2-(7-Fluoro-2-phenylquinolin-4-yl)oxyacetic acid	384481	AP751; CHEMBL1979519; ZINC1857142; NSC674286; NSC-674286; NCI60_026349	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674286	.	.	.	.	297.28	C17H12FNO3	59.4	386	3.5	22	1	5	4	"InChI=1S/C17H12FNO3/c18-12-6-7-13-15(8-12)19-14(11-4-2-1-3-5-11)9-16(13)22-10-17(20)21/h1-9H,10H2,(H,20,21)"	C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)F)C(=C2)OCC(=O)O	VZGFJRSZCSKGEZ-UHFFFAOYSA-N
DG56224	2-(6-Fluoro-2-phenylquinolin-4-yl)oxyacetic acid	384483	NSC674288; CHEMBL2001872; ZINC1857147; NSC-674288; NCI60_026351	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674288	.	.	.	.	297.28	C17H12FNO3	59.4	386	3.5	22	1	5	4	"InChI=1S/C17H12FNO3/c18-12-6-7-14-13(8-12)16(22-10-17(20)21)9-15(19-14)11-4-2-1-3-5-11/h1-9H,10H2,(H,20,21)"	C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)C(=C2)OCC(=O)O	JZNLCJDRTMFKNG-UHFFFAOYSA-N
DG56225	"Pyrazolo[1,5-a]pyrimidin-2-amine, 5,7-bis(dibromomethyl)-3-nitro-"	384486	"NSC674312; CHEMBL2006475; Pyrazolo[1,5-a]pyrimidin-2-amine, 5,7-bis(dibromomethyl)-3-nitro-; ZINC73372492; NSC-674312; NCI60_026354; Pyrazolo[1, 5,7-bis(dibromomethyl)-3-nitro-; 5,7-bis(dibromomethyl)-3-nitro-pyrazolo[1,5-a]pyrimidin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674312	.	.	.	.	522.77	C8H5Br4N5O2	102	355	3.3	19	1	5	2	"InChI=1S/C8H5Br4N5O2/c9-5(10)2-1-3(6(11)12)16-8(14-2)4(17(18)19)7(13)15-16/h1,5-6H,(H2,13,15)"	C1=C(N2C(=C(C(=N2)N)[N+](=O)[O-])N=C1C(Br)Br)C(Br)Br	SYYOLGWYVLQITD-UHFFFAOYSA-N
DG56226	"3,4,5-Tris(chloromethyl)-1-phenyl-1H-pyrazole"	384487	"NSC674316; 3,4,5-Tris(chloromethyl)-1-phenyl-1H-pyrazole; CHEMBL1972227; NSC-674316; NCI60_026355; 3,4,5-tris(chloromethyl)-1-phenyl-pyrazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674316	.	.	.	.	289.6	C12H11Cl3N2	17.8	234	3.1	17	0	1	4	"InChI=1S/C12H11Cl3N2/c13-6-10-11(7-14)16-17(12(10)8-15)9-4-2-1-3-5-9/h1-5H,6-8H2"	C1=CC=C(C=C1)N2C(=C(C(=N2)CCl)CCl)CCl	IMCHSGFXKKIIGS-UHFFFAOYSA-N
DG56227	"3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one"	384496	"NSC674329; 82090-44-6; 3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one; SCHEMBL7991254; CHEMBL2003329; DTXSID10327654; ZINC1857160; 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-methyl-4-(methylamino)-; NSC-674329; NCI60_026362; 3-Methyl-4-(methylamino)-1H-1,2,4-triazol-5(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674329	.	.	.	.	128.13	C4H8N4O	56.7	164	-0.9	9	2	3	1	"InChI=1S/C4H8N4O/c1-3-6-7-4(9)8(3)5-2/h5H,1-2H3,(H,7,9)"	CC1=NNC(=O)N1NC	HHGZVVVYIXJBFR-UHFFFAOYSA-N
DG56228	"O4-tert-butyl O1-isopropyl 2-[8-(hydroxymethyl)-12-methoxy-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanedioate"	384499	"NSC674347; CHEMBL1985721; NSC-674347; NCI60_026365; 4-(1,1-Dimethylethyl)-1-(1-methylethyl)-{9,10-dihydro-12-methoxy-8-hydroxymethyl-9-oxoindolizo[1,2-b]quinolin-7-yl}butanedioate; 4-(1,10-dihydro-12-met hoxy-8-hydroxymethyl-9-oxoindolizo[1,2-b]quinolin-7-yl}butanedioate; O4-tert-butyl O1-isopropyl 2-[8-(hydroxymethyl)-12-methoxy-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanedioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674347	.	.	.	.	508.6	C28H32N2O7	115	980	2.5	37	1	8	10	"InChI=1S/C28H32N2O7/c1-15(2)36-27(34)18(12-23(32)37-28(3,4)5)17-11-22-24-19(13-30(22)26(33)20(17)14-31)25(35-6)16-9-7-8-10-21(16)29-24/h7-11,15,18,31H,12-14H2,1-6H3"	CC(C)OC(=O)C(CC(=O)OC(C)(C)C)C1=C(C(=O)N2CC3=C(C4=CC=CC=C4N=C3C2=C1)OC)CO	BOAYNPLFPQJIIB-UHFFFAOYSA-N
DG56229	"3,6-Bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine"	384502	"NSC674350; 3,6-bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine; 3,6-Dimethylthio-dihydrotetrazine; 3,6-Bis(methylthio)-1,2-dihydro-1,2,4,5-tetraazine; CHEMBL1966464; SCHEMBL12954681; ZINC6425163; AKOS006279222; MCULE-7383507545; NSC-674350; 1672-33-9; NCI60_026368; 3,6-Bis(methylthio)-1,2-dihydro-1,2,4,5-tetrazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674350	.	.	.	.	176.3	C4H8N4S2	99.4	156	1.7	10	2	4	2	"InChI=1S/C4H8N4S2/c1-9-3-5-7-4(10-2)8-6-3/h1-2H3,(H,5,6)(H,7,8)"	CSC1=NNC(=NN1)SC	LNYJEPPVBXMFNT-UHFFFAOYSA-N
DG56230	"1,4-Dimethoxy-7-bromo-5H-benzocycloheptene"	384503	"NSC674351; 1,4-Dimethoxy-7-bromo-5H-benzocycloheptene; 7-bromo-1,4-dimethoxy-9H-benzo[7]annulene; CHEMBL1970030; ZINC1857168; NSC-674351; NCI60_026369; 7-Bromo-1,4-dimethoxy-5H-benzo[a]cycloheptene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674351	.	.	.	.	281.14	C13H13BrO2	18.5	298	3.9	16	0	2	2	"InChI=1S/C13H13BrO2/c1-15-12-7-8-13(16-2)11-6-4-9(14)3-5-10(11)12/h3-5,7-8H,6H2,1-2H3"	COC1=C2CC=C(C=CC2=C(C=C1)OC)Br	PFZHINPSVZUXLC-UHFFFAOYSA-N
DG56231	"3,6-Bis(methylsulfanyl)-1,2,4,5-tetrazine"	384504	"1672-34-0; 3,6-bis(methylsulfanyl)-1,2,4,5-tetrazine; 1,2,4,5-Tetrazine, 3,6-bis(methylthio)-; NSC674352; bis(methylsulfanyl)-1,2,4,5-tetrazine; 3,6-Bis(methylsulfanyl)-1,2,4,5-tetraazine; 3,6-Bis(methylthio)-1,2,4,5-tetrazine; 3,6-Bis[methylthio]-1,2,4,5-tetrazine; ghl.PD_Mitscher_leg0.585; CHEMBL1980289; SCHEMBL10828283; DTXSID70327655; BAA67234; ZINC1857169; MFCD02998583; STK701153; AKOS005107277; MCULE-5043879256; MS-1400; NSC-674352; 3,6-Dimethylthio-1,2,4,5-tetrazine; NCGC00161002-01; NCI60_026370; 3,6-Bis(methylthio)-1,2,4,5-tetraazine; CS-0333911; EU-0010880; 3,6-Bis(methylsulfanyl)-1,2,4,5-tetraazine #; SR-01000487876; SR-01000487876-1; 3,6-Bis(methylthio)-1,2,4,5-tetrazine, >=95% (HPLC)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674352	.	.	.	.	174.3	C4H6N4S2	102	81.3	0.3	10	0	6	2	InChI=1S/C4H6N4S2/c1-9-3-5-7-4(10-2)8-6-3/h1-2H3	CSC1=NN=C(N=N1)SC	ROUDTSAXQIBBFZ-UHFFFAOYSA-N
DG56232	NSC674469	384518	"1-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-[[tert-butyl(dimethyl)silyl]oxy-methyl-amino]-3-phenylselanyl-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione; NSC674469; CHEMBL1973012; NSC-674469; NCI60_026378; 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[[tert-butyl(dimethyl)silyl]oxy-methyl-amino]-3-phenylselanyl-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione; 2,4(1H,3H)-Pyrimidinedione, 1-[3-deoxy-5-O-[(1,1-dimethylethyl)dimethylsilyl]-3-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methylamino]-2-Se-phenyl-2-selenopentofuranosyl]-5-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674469	.	.	.	.	654.9	C29H49N3O5SeSi2	80.3	956	.	40	1	6	11	"InChI=1S/C29H49N3O5SeSi2/c1-20-18-32(27(34)30-25(20)33)26-24(38-21-16-14-13-15-17-21)23(31(8)37-40(11,12)29(5,6)7)22(36-26)19-35-39(9,10)28(2,3)4/h13-18,22-24,26H,19H2,1-12H3,(H,30,33,34)"	CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO[Si](C)(C)C(C)(C)C)N(C)O[Si](C)(C)C(C)(C)C)[Se]C3=CC=CC=C3	FANWTEHKYRHXQY-UHFFFAOYSA-N
DG56233	"4-(1,3-Benzothiazol-2-yl)-2-methylaniline"	384525	"4-(1,3-benzothiazol-2-yl)-2-methylaniline; 178804-04-1; 2-(4-amino-3-methylphenyl)benzothiazole; 4-Benzothiazol-2-yl-2-methyl-phenylamine; 4-(benzo[d]thiazol-2-yl)-2-methylaniline; Benzenamine, 4-(2-benzothiazolyl)-2-methyl-; DF 203; DF-203; NSC674495; CHEMBL11825; MLS002702269; Benzothiazole, 2-(4-amino-3-methylphenyl)-; 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline; [4-(1,3-benzothiazol-2-yl)-2-methylphenyl]amine; NSC 674495; NSC-674495; BAS 06856403; cid_384525; SCHEMBL1326042; ZINC6701; DTXSID30327656; HMS3433D11; BBL008089; BDBM50141278; CCG-35258; MFCD00950805; STK027735; AKOS000108517; MCULE-2465361022; NCI60_026383; SMR001565831; VS-01825; 2-(4'-amino-3'-methylphenyl)benzothiazole; 4-Benzothiazol-2-yl-2-methyl-phenyl amine; BB 0245167; 4-(benzo[d]thiazol-2-yl)-2-methylbenzenamine; Benzenamine, 4-(benzothiazol-2-yl)-2-methyl-; SR-01000319885; SR-01000319885-1; 4-(3H-1lambda*4*-Benzothiazol-2-yl)-2-methyl-phenylamine; BM8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674495	.	.	.	.	240.33	C14H12N2S	67.2	271	3.9	17	1	3	1	"InChI=1S/C14H12N2S/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3"	CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)N	IDBCUMFOZBUJCL-UHFFFAOYSA-N
DG56234	"Benzenamine, 4-(2-benzothiazolyl)-2-iodo-"	384526	"Benzenamine, 4-(2-benzothiazolyl)-2-iodo-; 162374-60-9; 2-(4'-amino-3'-iodophenyl)benzothiazole; NSC674496; 4-(1,3-benzothiazol-2-yl)-2-iodoaniline; CHEMBL276851; SCHEMBL1726512; DTXSID90327657; BDBM303156; ZINC1645207; 2-Iodo-4-(2-benzothiazolyl)aniline; 4-benzothiazol-2-yl-2-iodophenylamine; NSC-674496; US10137210, Example 00023; NCI60_026384; Benzothiazole, 2-(4-amino-3-iodophenyl)-; 2-(4-Amino-3-iodophenyl)-1,3-benzothiazole; Benzenamine, 4-(benzothiazol-2-yl)-2-iodo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674496	.	.	.	.	352.2	C13H9IN2S	67.2	276	4.2	17	1	3	1	"InChI=1S/C13H9IN2S/c14-9-7-8(5-6-10(9)15)13-16-11-3-1-2-4-12(11)17-13/h1-7H,15H2"	C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)I	UZZOZUQVHHJNTR-UHFFFAOYSA-N
DG56235	"9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(2-hydroxyethyl)acridine-4-carboxamide"	384527	"NSC674498; CHEMBL1989702; NSC-674498; 9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(2-hydroxyethyl)acridine-4-carboxamide; NCI60_026385; 9-(4-(((4,6-Dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-N-(2-hydroxyethyl)-4-acridinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674498	.	.	.	.	542.6	C28H26N6O4S	155	914	3.6	39	4	9	8	"InChI=1S/C28H26N6O4S/c1-17-16-18(2)31-28(30-17)34-39(37,38)20-12-10-19(11-13-20)32-25-21-6-3-4-9-24(21)33-26-22(25)7-5-8-23(26)27(36)29-14-15-35/h3-13,16,35H,14-15H2,1-2H3,(H,29,36)(H,32,33)(H,30,31,34)"	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCO)C	FGLYLAFLVHXJAK-UHFFFAOYSA-N
DG56236	9-[4-(carbamimidoylsulfamoyl)anilino]-N-(2-hydroxyethyl)acridine-4-carboxamide	384528	NSC674499; CHEMBL1978822; NSC-674499; NCI60_026386; 9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(2-hydroxyethyl)-4-acridinecarboxamide; 9-[4-(carbamimidoylsulfamoyl)anilino]-N-(2-hydroxyethyl)acridine-4-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674499	.	.	.	.	478.5	C23H22N6O4S	181	835	1.7	34	5	7	7	"InChI=1S/C23H22N6O4S/c24-23(25)29-34(32,33)15-10-8-14(9-11-15)27-20-16-4-1-2-7-19(16)28-21-17(20)5-3-6-18(21)22(31)26-12-13-30/h1-11,30H,12-13H2,(H,26,31)(H,27,28)(H4,24,25,29)"	C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCO)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N	AUTMXMFUXGDCLM-UHFFFAOYSA-N
DG56237	N-(2-hydroxyethyl)-9-(4-sulfamoylanilino)acridine-4-carboxamide	384529	NSC674500; CHEMBL1964976; N-(2-hydroxyethyl)-9-(4-sulfamoylanilino)acridine-4-carboxamide; NSC-674500; NCI60_026387; 9-(4-(Aminosulfonyl)anilino)-N-(2-hydroxyethyl)-4-acridinecarboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674500	.	.	.	.	436.5	C22H20N4O4S	143	720	2.2	31	4	7	6	"InChI=1S/C22H20N4O4S/c23-31(29,30)15-10-8-14(9-11-15)25-20-16-4-1-2-7-19(16)26-21-17(20)5-3-6-18(21)22(28)24-12-13-27/h1-11,27H,12-13H2,(H,24,28)(H,25,26)(H2,23,29,30)"	C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCO)NC4=CC=C(C=C4)S(=O)(=O)N	YOVNKCPYSFMDPL-UHFFFAOYSA-N
DG56238	"9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]acridine-4-carboxamide"	384531	"NSC674502; CHEMBL1980092; NSC-674502; NCI60_026389; 9-(4-(((4,6-Dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-4-acridinecarboxamide; 9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]acridine-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674502	.	.	.	.	602.7	C30H30N6O6S	195	1010	2.1	43	6	11	10	"InChI=1S/C30H30N6O6S/c1-18-14-19(2)32-29(31-18)36-43(41,42)21-12-10-20(11-13-21)33-26-22-6-3-4-9-25(22)34-27-23(26)7-5-8-24(27)28(40)35-30(15-37,16-38)17-39/h3-14,37-39H,15-17H2,1-2H3,(H,33,34)(H,35,40)(H,31,32,36)"	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC(CO)(CO)CO)C	GQHFXCLQGQUMNO-UHFFFAOYSA-N
DG56239	"9-[4-(carbamimidoylsulfamoyl)anilino]-N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]acridine-4-carboxamide"	384532	"NSC674503; CHEMBL1994665; NSC-674503; NCI60_026390; [9-({4-[(Amidinoamino)sulfonyl]phenyl}amino)acridin-4-yl]-N-[1,1-bis(hydroxymethyl)-2-hydroxyethyl]carboxamide; 9-[4-(carbamimidoylsulfamoyl)anilino]-N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]acridine-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674503	.	.	.	.	538.6	C25H26N6O6S	222	934	0.2	38	7	9	9	"InChI=1S/C25H26N6O6S/c26-24(27)31-38(36,37)16-10-8-15(9-11-16)28-21-17-4-1-2-7-20(17)29-22-18(21)5-3-6-19(22)23(35)30-25(12-32,13-33)14-34/h1-11,32-34H,12-14H2,(H,28,29)(H,30,35)(H4,26,27,31)"	C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC(CO)(CO)CO)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N	VRMZLORNOCRNNI-UHFFFAOYSA-N
DG56240	"N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide"	384533	"NSC674504; CHEMBL1992417; NSC-674504; NCI60_026391; N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide; N-[1,1-Bis(hydroxymethyl)-2-hydroxyethyl]{9-[(4-sulfamoylphenyl)amino]acridin-4-yl}carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674504	.	.	.	.	496.5	C24H24N4O6S	183	816	0.7	35	6	9	8	"InChI=1S/C24H24N4O6S/c25-35(33,34)16-10-8-15(9-11-16)26-21-17-4-1-2-7-20(17)27-22-18(21)5-3-6-19(22)23(32)28-24(12-29,13-30)14-31/h1-11,29-31H,12-14H2,(H,26,27)(H,28,32)(H2,25,33,34)"	C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC(CO)(CO)CO)NC4=CC=C(C=C4)S(=O)(=O)N	WQEPGRUINPRKNF-UHFFFAOYSA-N
DG56241	"N-[3-[bis(2-hydroxyethyl)amino]propyl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide"	384535	"NSC674506; CHEMBL1967578; NSC-674506; N-[3-[bis(2-hydroxyethyl)amino]propyl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide; NCI60_026393; N-(3-(Bis(2-hydroxyethyl)amino)propyl)-9-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-4-acridinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674506	.	.	.	.	643.8	C33H37N7O5S	178	1040	3.3	46	5	11	14	"InChI=1S/C33H37N7O5S/c1-22-21-23(2)36-33(35-22)39-46(44,45)25-13-11-24(12-14-25)37-30-26-7-3-4-10-29(26)38-31-27(30)8-5-9-28(31)32(43)34-15-6-16-40(17-19-41)18-20-42/h3-5,7-14,21,41-42H,6,15-20H2,1-2H3,(H,34,43)(H,37,38)(H,35,36,39)"	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCCN(CCO)CCO)C	NQXBFZFDTRTQHF-UHFFFAOYSA-N
DG56242	N-[3-[bis(2-hydroxyethyl)amino]propyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide	384536	NSC674507; CHEMBL1968952; NSC-674507; N-[3-[bis(2-hydroxyethyl)amino]propyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide; NCI60_026394; 9-(4-(Aminosulfonyl)anilino)-N-(3-(bis(2-hydroxyethyl)amino)propyl)-4-acridinecarboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674507	.	.	.	.	537.6	C27H31N5O5S	166	841	1.9	38	5	9	12	"InChI=1S/C27H31N5O5S/c28-38(36,37)20-11-9-19(10-12-20)30-25-21-5-1-2-8-24(21)31-26-22(25)6-3-7-23(26)27(35)29-13-4-14-32(15-17-33)16-18-34/h1-3,5-12,33-34H,4,13-18H2,(H,29,35)(H,30,31)(H2,28,36,37)"	C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCCN(CCO)CCO)NC4=CC=C(C=C4)S(=O)(=O)N	ZXXSWUJLRCEGRM-UHFFFAOYSA-N
DG56243	"N-(4,6-dimethylpyrimidin-2-yl)-4-[[4-[(2-hydroxyethylamino)carbamoyl]acridin-9-yl]amino]benzenesulfonamide"	384537	"NSC674508; CHEMBL1984110; NSC-674508; N-(4,6-dimethylpyrimidin-2-yl)-4-[[4-[(2-hydroxyethylamino)carbamoyl]acridin-9-yl]amino]benzenesulfonamide; NCI60_026395; N-(4,6-Dimethyl-2-pyrimidinyl)-4-((4-((2-(2-hydroxyethyl)hydrazino)carbonyl)-9-acridinyl)amino)benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674508	.	.	.	.	557.6	C28H27N7O4S	167	931	3.4	40	5	10	9	"InChI=1S/C28H27N7O4S/c1-17-16-18(2)31-28(30-17)35-40(38,39)20-12-10-19(11-13-20)32-25-21-6-3-4-9-24(21)33-26-22(25)7-5-8-23(26)27(37)34-29-14-15-36/h3-13,16,29,36H,14-15H2,1-2H3,(H,32,33)(H,34,37)(H,30,31,35)"	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NNCCO)C	XEWUQXLYVKSWLS-UHFFFAOYSA-N
DG56244	9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-4-((2-(2-hydroxyethyl)hydrazino)carbonyl)acridine	384538	NSC674509; CHEMBL1971246; NSC-674509; 9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-4-((2-(2-hydroxyethyl)hydrazino)carbonyl)acridine; NCI60_026396; 1-[4-[[4-[(2-hydroxyethylamino)carbamoyl]acridin-9-yl]amino]phenyl]sulfonylguanidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674509	.	.	.	.	493.5	C23H23N7O4S	193	852	1.5	35	6	8	8	"InChI=1S/C23H23N7O4S/c24-23(25)30-35(33,34)15-10-8-14(9-11-15)27-20-16-4-1-2-7-19(16)28-21-17(20)5-3-6-18(21)22(32)29-26-12-13-31/h1-11,26,31H,12-13H2,(H,27,28)(H,29,32)(H4,24,25,30)"	C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NNCCO)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N	IXIOOYYWQYTRQN-UHFFFAOYSA-N
DG56245	"3-(4'-(4-Oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone"	384551	"NSC674565; CHEMBL1986901; NSC-674565; 3-(4'-(4-Oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone; NCI60_026410; 3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674565	.	.	.	.	641.7	C38H31N3O5S	106	1100	7.1	47	0	7	8	"InChI=1S/C38H31N3O5S/c1-44-32-21-27(22-33(45-2)35(32)46-3)38-40(34(42)23-47-38)28-17-13-24(14-18-28)25-15-19-29(20-16-25)41-36(26-9-5-4-6-10-26)39-31-12-8-7-11-30(31)37(41)43/h4-22,38H,23H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7	JOCAIIVMSZKDFV-UHFFFAOYSA-N
DG56246	"3-(4'-(2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone"	384558	"NSC674572; CHEMBL1971373; NSC-674572; 3-(4'-(2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone; NCI60_026417; 2-(4-chlorophenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674572	.	.	.	.	586.1	C35H24ClN3O2S	78.3	992	7.8	42	0	4	5	"InChI=1S/C35H24ClN3O2S/c36-27-16-10-26(11-17-27)35-38(32(40)22-42-35)28-18-12-23(13-19-28)24-14-20-29(21-15-24)39-33(25-6-2-1-3-7-25)37-31-9-5-4-8-30(31)34(39)41/h1-21,35H,22H2"	C1C(=O)N(C(S1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7	JWZGNRBHRFONQU-UHFFFAOYSA-N
DG56247	"3-(4-(2-(3,4-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone"	384565	"NSC674579; CHEMBL1994721; NSC-674579; 3-(4-(2-(3,4-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone; NCI60_026424; 2-(3,4-dimethoxyphenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674579	.	.	.	.	535.6	C31H25N3O4S	96.7	916	5.5	39	0	6	6	"InChI=1S/C31H25N3O4S/c1-37-26-17-12-21(18-27(26)38-2)31-33(28(35)19-39-31)22-13-15-23(16-14-22)34-29(20-8-4-3-5-9-20)32-25-11-7-6-10-24(25)30(34)36/h3-18,31H,19H2,1-2H3"	COC1=C(C=C(C=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6)OC	ZFYSDTDGZJYWPU-UHFFFAOYSA-N
DG56248	"3-(4-(2-(3-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone"	384567	"NSC674581; CHEMBL1969659; NSC-674581; 3-(4-(2-(3-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone; NCI60_026426; 2-(3-chlorophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674581	.	.	.	.	510	C29H20ClN3O2S	78.3	854	6.2	36	0	4	4	"InChI=1S/C29H20ClN3O2S/c30-21-10-6-9-20(17-21)29-32(26(34)18-36-29)22-13-15-23(16-14-22)33-27(19-7-2-1-3-8-19)31-25-12-5-4-11-24(25)28(33)35/h1-17,29H,18H2"	C1C(=O)N(C(S1)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6	MZMJALGIFBEPPO-UHFFFAOYSA-N
DG56249	2-(3-Nitrophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one	384568	"NSC674582; CHEMBL1983288; NSC-674582; NCI60_026427; 2-(3-nitrophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one; 3-(4-(2-(3-(Hydroxy(oxido)amino)phenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674582	.	.	.	.	520.6	C29H20N4O4S	124	939	5.4	38	0	6	4	"InChI=1S/C29H20N4O4S/c34-26-18-38-29(20-9-6-10-23(17-20)33(36)37)31(26)21-13-15-22(16-14-21)32-27(19-7-2-1-3-8-19)30-25-12-5-4-11-24(25)28(32)35/h1-17,29H,18H2"	C1C(=O)N(C(S1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6	OEAHDHOTBUXGEA-UHFFFAOYSA-N
DG56250	2-(4-Nitrophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one	384569	"NSC674583; CHEMBL2005888; NSC-674583; NCI60_026428; 2-(4-nitrophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one; 3-(4-(2-(4-(Hydroxy(oxido)amino)phenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674583	.	.	.	.	520.6	C29H20N4O4S	124	931	5.4	38	0	6	4	"InChI=1S/C29H20N4O4S/c34-26-18-38-29(20-10-12-23(13-11-20)33(36)37)31(26)21-14-16-22(17-15-21)32-27(19-6-2-1-3-7-19)30-25-9-5-4-8-24(25)28(32)35/h1-17,29H,18H2"	C1C(=O)N(C(S1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6	SYIDGJRWYFUFAK-UHFFFAOYSA-N
DG56251	"3-(4-(2-(2-Methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone"	384571	"NSC674585; CHEMBL1974777; NSC-674585; 3-(4-(2-(2-Methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone; NCI60_026430; 2-(2-methoxyphenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674585	.	.	.	.	505.6	C30H23N3O3S	87.5	866	5.5	37	0	5	5	"InChI=1S/C30H23N3O3S/c1-36-26-14-8-6-12-24(26)30-32(27(34)19-37-30)21-15-17-22(18-16-21)33-28(20-9-3-2-4-10-20)31-25-13-7-5-11-23(25)29(33)35/h2-18,30H,19H2,1H3"	COC1=CC=CC=C1C2N(C(=O)CS2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6	CYJMVQCLZZZIRG-UHFFFAOYSA-N
DG56252	"3-(4-(2-(2,3-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone"	384572	"NSC674586; CHEMBL2001193; NSC-674586; 3-(4-(2-(2,3-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone; NCI60_026431; 2-(2,3-dimethoxyphenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674586	.	.	.	.	535.6	C31H25N3O4S	96.7	916	5.5	39	0	6	6	"InChI=1S/C31H25N3O4S/c1-37-26-14-8-12-24(28(26)38-2)31-33(27(35)19-39-31)21-15-17-22(18-16-21)34-29(20-9-4-3-5-10-20)32-25-13-7-6-11-23(25)30(34)36/h3-18,31H,19H2,1-2H3"	COC1=CC=CC(=C1OC)C2N(C(=O)CS2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6	QBZPCUZXDWNEHH-UHFFFAOYSA-N
DG56253	"3-(4-(2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone"	384573	"NSC674587; CHEMBL1971030; ZINC01645235; NSC-674587; 3-(4-(2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone; NCI60_026432; 2-(4-chlorophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674587	.	.	.	.	510	C29H20ClN3O2S	78.3	846	6.2	36	0	4	4	"InChI=1S/C29H20ClN3O2S/c30-21-12-10-20(11-13-21)29-32(26(34)18-36-29)22-14-16-23(17-15-22)33-27(19-6-2-1-3-7-19)31-25-9-5-4-8-24(25)28(33)35/h1-17,29H,18H2"	C1C(=O)N(C(S1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6	WVGKBUNWLIAVAN-UHFFFAOYSA-N
DG56254	"3-(4-(2-(4-Hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone"	384574	"NSC674588; CHEMBL1965106; NSC-674588; 3-(4-(2-(4-Hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone; NCI60_026433; 2-(4-hydroxy-3-methoxy-phenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674588	.	.	.	.	521.6	C30H23N3O4S	108	900	5.1	38	1	6	5	"InChI=1S/C30H23N3O4S/c1-37-26-17-20(11-16-25(26)34)30-32(27(35)18-38-30)21-12-14-22(15-13-21)33-28(19-7-3-2-4-8-19)31-24-10-6-5-9-23(24)29(33)36/h2-17,30,34H,18H2,1H3"	COC1=C(C=CC(=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6)O	CRXISCBBPOEXDT-UHFFFAOYSA-N
DG56255	{[(2-Amino-ethylcarbamoyl)-methyl]-[2-(bis-carboxymethyl-amino)-cyclohexyl]-amino}-acetic acid	384588	NSC674601; CHEMBL1999889; NSC-674601; NCI60_026446; {[(2-Amino-ethylcarbamoyl)-methyl]-[2-(bis-carboxymethyl-amino)-cyclohexyl]-amino}-acetic acid; 2-[[2-(2-aminoethylamino)-2-oxo-ethyl]-[2-[bis(carboxymethyl)amino]cyclohexyl]amino]acetic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674601	.	.	.	.	388.42	C16H28N4O7	174	527	-8	27	5	10	12	"InChI=1S/C16H28N4O7/c17-5-6-18-13(21)7-19(8-14(22)23)11-3-1-2-4-12(11)20(9-15(24)25)10-16(26)27/h11-12H,1-10,17H2,(H,18,21)(H,22,23)(H,24,25)(H,26,27)"	C1CCC(C(C1)N(CC(=O)NCCN)CC(=O)O)N(CC(=O)O)CC(=O)O	NXDGOVLMLAOEFZ-UHFFFAOYSA-N
DG56256	"N,N'-bis[2-(tritylamino)cyclohexyl]oxamide"	384592	"NSC674604; N,N'-bis[2-(tritylamino)cyclohexyl]oxamide; CHEMBL1973451; NSC-674604; NCI60_026449; N~1~,N~2~-Bis(2-(tritylamino)cyclohexyl)ethanediamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674604	.	.	.	.	767	C52H54N4O2	82.3	1060	10.4	58	4	4	12	"InChI=1S/C52H54N4O2/c57-49(53-45-35-19-21-37-47(45)55-51(39-23-7-1-8-24-39,40-25-9-2-10-26-40)41-27-11-3-12-28-41)50(58)54-46-36-20-22-38-48(46)56-52(42-29-13-4-14-30-42,43-31-15-5-16-32-43)44-33-17-6-18-34-44/h1-18,23-34,45-48,55-56H,19-22,35-38H2,(H,53,57)(H,54,58)"	C1CCC(C(C1)NC(=O)C(=O)NC2CCCCC2NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8	RFKDBORJIKLFCM-UHFFFAOYSA-N
DG56257	"N2-trityl-N1-[2-[[2-(tritylamino)cyclohexyl]amino]ethyl]cyclohexane-1,2-diamine"	384594	"NSC674606; CHEMBL2000892; NSC-674606; NCI60_026451; N~1~-Trityl-N~2~-(2-((2-(tritylamino)cyclohexyl)amino)ethyl)-1,2-cyclohexanediamine; N2-trityl-N1-[2-[[2-(tritylamino)cyclohexyl]amino]ethyl]cyclohexane-1,2-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674606	.	.	.	.	739	C52H58N4	48.1	909	10.5	56	4	4	15	"InChI=1S/C52H58N4/c1-7-23-41(24-8-1)51(42-25-9-2-10-26-42,43-27-11-3-12-28-43)55-49-37-21-19-35-47(49)53-39-40-54-48-36-20-22-38-50(48)56-52(44-29-13-4-14-30-44,45-31-15-5-16-32-45)46-33-17-6-18-34-46/h1-18,23-34,47-50,53-56H,19-22,35-40H2"	C1CCC(C(C1)NCCNC2CCCCC2NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8	INMAEUFTSXWEFD-UHFFFAOYSA-N
DG56258	2-(tritylamino)-N-[2-[[2-(tritylamino)acetyl]amino]cyclohexyl]acetamide	384597	NSC674609; CHEMBL1978991; 2-(tritylamino)-N-[2-[[2-(tritylamino)acetyl]amino]cyclohexyl]acetamide; NSC-674609; NCI60_026454; 2-(Tritylamino)-N-(2-(((tritylamino)acetyl)amino)cyclohexyl)acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674609	.	.	.	.	712.9	C48H48N4O2	82.3	942	8.7	54	4	4	14	"InChI=1S/C48H48N4O2/c53-45(35-49-47(37-21-7-1-8-22-37,38-23-9-2-10-24-38)39-25-11-3-12-26-39)51-43-33-19-20-34-44(43)52-46(54)36-50-48(40-27-13-4-14-28-40,41-29-15-5-16-30-41)42-31-17-6-18-32-42/h1-18,21-32,43-44,49-50H,19-20,33-36H2,(H,51,53)(H,52,54)"	C1CCC(C(C1)NC(=O)CNC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)CNC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7	ZZKCTZWBXPGUEP-UHFFFAOYSA-N
DG56259	2-(4-(2-Phenyl-1-(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)vinyl)phenoxy)tetrahydro-2H-pyran	384599	NSC674611; CHEMBL1974495; NSC-674611; 2-(4-(2-Phenyl-1-(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)vinyl)phenoxy)tetrahydro-2H-pyran; NCI60_026456; 2-[4-[2-phenyl-1-(4-tetrahydropyran-2-yloxyphenyl)vinyl]phenoxy]tetrahydropyran	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674611	.	.	.	.	456.6	C30H32O4	36.9	569	7.7	34	0	4	7	"InChI=1S/C30H32O4/c1-2-8-23(9-3-1)22-28(24-12-16-26(17-13-24)33-29-10-4-6-20-31-29)25-14-18-27(19-15-25)34-30-11-5-7-21-32-30/h1-3,8-9,12-19,22,29-30H,4-7,10-11,20-21H2"	C1CCOC(C1)OC2=CC=C(C=C2)C(=CC3=CC=CC=C3)C4=CC=C(C=C4)OC5CCCCO5	CXDXOOCWFYIPBJ-UHFFFAOYSA-N
DG56260	Methyl 2-[2-[2-(tert-butoxycarbonylamino)ethyl]thiazol-4-yl]-5-[1-(chloromethyl)heptyl]thiazole-4-carboxylate	384603	"NSC674615; CHEMBL1965826; NSC-674615; [2,4'-Bithiazole]-4-carboxylic acid, 5-[1-(chloromethyl)heptyl]-2'-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, methyl ester; NCI60_026460; methyl 2-[2-[2-(tert-butoxycarbonylamino)ethyl]thiazol-4-yl]-5-[1-(chloromethyl)heptyl]thiazole-4-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674615	.	.	.	.	516.1	C23H34ClN3O4S2	147	623	6.6	33	1	8	15	"InChI=1S/C23H34ClN3O4S2/c1-6-7-8-9-10-15(13-24)19-18(21(28)30-5)27-20(33-19)16-14-32-17(26-16)11-12-25-22(29)31-23(2,3)4/h14-15H,6-13H2,1-5H3,(H,25,29)"	CCCCCCC(CCl)C1=C(N=C(S1)C2=CSC(=N2)CCNC(=O)OC(C)(C)C)C(=O)OC	XKVRFQGJQJYOLV-UHFFFAOYSA-N
DG56261	"4-(4-Methoxyphenyl)-7,8-dimethyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine"	384606	"NSC674618; 4-(4-Methoxyphenyl)-7,8-dimethyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine; CHEMBL2006748; NSC-674618; NCI60_026463; 4-(7,8-Dimethyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-yl)phenyl methyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674618	.	.	.	.	356.5	C24H24N2O	33.6	505	5.3	27	1	3	3	"InChI=1S/C24H24N2O/c1-16-13-23-24(14-17(16)2)26-22(19-9-11-20(27-3)12-10-19)15-21(25-23)18-7-5-4-6-8-18/h4-14,21,25H,15H2,1-3H3"	CC1=CC2=C(C=C1C)N=C(CC(N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC	PSIQDUJCLJWDIA-UHFFFAOYSA-N
DG56262	"2-(3-Methoxyphenyl)-5-methyl-1,8-naphthyridin-4(1H)-one"	384634	"CHEMBL73156; NSC674677; SCHEMBL7913596; ZINC5504158; BDBM50059123; NSC-674677; NCI60_026475; 2-(3-Methoxyphenyl)-5-methyl-1,8-naphthyridin-4(1H)-one; 2-(3-Methoxy-phenyl)-5-methyl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674677	.	.	.	.	266.29	C16H14N2O2	51.2	407	2.8	20	1	4	2	"InChI=1S/C16H14N2O2/c1-10-6-7-17-16-15(10)14(19)9-13(18-16)11-4-3-5-12(8-11)20-2/h3-9H,1-2H3,(H,17,18,19)"	CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC(=CC=C3)OC	LLTSXLVHZVTDMZ-UHFFFAOYSA-N
DG56263	"6-Methyl-2-(2-methoxyphenyl)-1,8-naphthyridine-4(1H)-one"	384638	"CHEMBL298520; NSC674681; SCHEMBL7920464; BDBM50059105; NSC-674681; NCI60_026479; 2-(2-Methoxy-phenyl)-6-methyl-1H-[1,8]naphthyridin-4-one; 6-Methyl-2-(2-methoxyphenyl)-1,8-naphthyridine-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674681	.	.	.	.	266.29	C16H14N2O2	51.2	407	2.8	20	1	4	2	"InChI=1S/C16H14N2O2/c1-10-7-12-14(19)8-13(18-16(12)17-9-10)11-5-3-4-6-15(11)20-2/h3-9H,1-2H3,(H,17,18,19)"	CC1=CC2=C(NC(=CC2=O)C3=CC=CC=C3OC)N=C1	KUZUVPBLDUCRIZ-UHFFFAOYSA-N
DG56264	"2-(4-Methoxy-phenyl)-5-methyl-1H-[1,8]naphthyridin-4-one"	384642	"CHEMBL49431; NSC674685; SCHEMBL7920143; ZINC5504155; BDBM50059114; NSC-674685; NCI60_026483; 2-(4-Methoxy-phenyl)-5-methyl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674685	.	.	.	.	266.29	C16H14N2O2	51.2	399	2.8	20	1	4	2	"InChI=1S/C16H14N2O2/c1-10-7-8-17-16-15(10)14(19)9-13(18-16)11-3-5-12(20-2)6-4-11/h3-9H,1-2H3,(H,17,18,19)"	CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC=C(C=C3)OC	RDWYUHASFATBBC-UHFFFAOYSA-N
DG56265	"6-Methyl-2-(4-methoxyphenyl)-1,8-naphthyridine-4(1H)-one"	384643	"CHEMBL49424; NSC674686; SCHEMBL7922300; BDBM50059118; NSC-674686; NCI60_026484; 2-(4-Methoxy-phenyl)-6-methyl-1H-[1,8]naphthyridin-4-one; 6-Methyl-2-(4-methoxyphenyl)-1,8-naphthyridine-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674686	.	.	.	.	266.29	C16H14N2O2	51.2	399	2.8	20	1	4	2	"InChI=1S/C16H14N2O2/c1-10-7-13-15(19)8-14(18-16(13)17-9-10)11-3-5-12(20-2)6-4-11/h3-9H,1-2H3,(H,17,18,19)"	CC1=CC2=C(NC(=CC2=O)C3=CC=C(C=C3)OC)N=C1	WAQCUFMSLSYOIU-UHFFFAOYSA-N
DG56266	"N-(2-dimethylaminoethyl)-N'-(1-nitroacridin-9-yl)propane-1,3-diamine"	384654	"NSC674699; CHEMBL137215; N-(2-dimethylaminoethyl)-N'-(1-nitroacridin-9-yl)propane-1,3-diamine; ZINC27435449; NCI60_026493; {9-[3-[N-(2-N,N-Dimethylamino)ethyl]aminopropyl]amino-} 1-nitroacridine.3HCl; 9-((3-((2-(Dimethylamino)ethyl)amino)propyl)amino)-1-(hydroxy(oxido)amino)acridine hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674699	.	.	.	.	367.4	C20H25N5O2	86	470	3.9	27	2	6	8	"InChI=1S/C20H25N5O2/c1-24(2)14-13-21-11-6-12-22-20-15-7-3-4-8-16(15)23-17-9-5-10-18(19(17)20)25(26)27/h3-5,7-10,21H,6,11-14H2,1-2H3,(H,22,23)"	CN(C)CCNCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]	NTEFHWSDYCVUDW-UHFFFAOYSA-N
DG56267	"2,26-Diazahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-1,3(12),4,6,8,16(25),19,21,23-nonaene-14-carbonitrile"	384656	"NSC674701; CHEMBL1989455; NSC-674701; NCI60_026495; 5,6,8,9,10,15-Hexahydrodinaphtho[1,2-b:2',1'-g][1,8]naphthyridine-7a(7H)-carbonitrile; 5,7,8,9,10,15-Hexahydrodinaphtho[1,2-b:2,1-g][1,8]naphthyridine-7a(6H)-carbonitrile; Dinaphtho[1,1'-g][1,8]naphthyridine- 7a-carbonitrile, 5,6,7,7a,8,9,10,16-octahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674701	.	.	.	.	363.5	C25H21N3	48.2	837	3.3	28	1	2	0	"InChI=1S/C25H21N3/c26-15-25-13-18-11-9-16-5-1-3-7-20(16)22(18)27-24(25)28-23-19(14-25)12-10-17-6-2-4-8-21(17)23/h1-8H,9-14H2,(H,27,28)"	C1CC2=CC=CC=C2C3=C1CC4(CC5=C(C6=CC=CC=C6CC5)N=C4N3)C#N	VYBVHILOYLOLAF-UHFFFAOYSA-N
DG56268	"1,3-Benzothiazol-2-yl 1-benzyl-3-methyl-2-butenyl sulfone"	384659	"NSC674704; CHEMBL1982948; 1,3-Benzothiazol-2-yl 1-benzyl-3-methyl-2-butenyl sulfone; NSC-674704; NCI60_026498; 2-((1-Benzyl-3-methyl-2-butenyl)sulfonyl)-1,3-benzothiazole; 2-(1-benzyl-3-methyl-but-2-enyl)sulfonyl-1,3-benzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674704	.	.	.	.	357.5	C19H19NO2S2	83.6	542	5.5	24	0	4	5	"InChI=1S/C19H19NO2S2/c1-14(2)12-16(13-15-8-4-3-5-9-15)24(21,22)19-20-17-10-6-7-11-18(17)23-19/h3-12,16H,13H2,1-2H3"	CC(=CC(CC1=CC=CC=C1)S(=O)(=O)C2=NC3=CC=CC=C3S2)C	WLJOHDSGEBQULH-UHFFFAOYSA-N
DG56269	"1,3-Benzothiazol-2-yl 2-chloro-2-phenylethyl sulfone"	384661	"NSC674706; 1,3-Benzothiazol-2-yl 2-chloro-2-phenylethyl sulfone; CHEMBL1967225; NSC-674706; NCI60_026500; 2-((2-Chloro-2-phenylethyl)sulfonyl)-1,3-benzothiazole; 2-(2-chloro-2-phenyl-ethyl)sulfonyl-1,3-benzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674706	.	.	.	.	337.8	C15H12ClNO2S2	83.6	445	4.1	21	0	4	4	"InChI=1S/C15H12ClNO2S2/c16-12(11-6-2-1-3-7-11)10-21(18,19)15-17-13-8-4-5-9-14(13)20-15/h1-9,12H,10H2"	C1=CC=C(C=C1)C(CS(=O)(=O)C2=NC3=CC=CC=C3S2)Cl	GXZFYSUCSDSYJF-UHFFFAOYSA-N
DG56270	"[3-[(3,4-Dichlorophenyl)methylene]-2,4-dihydroxy-6-oxo-5-triphenylphosphaniumyl-cyclohexa-1,4-dien-1-yl]-triphenyl-phosphonium"	384667	"NSC674712; CHEMBL1970253; NSC-674712; [3-[(3,4-dichlorophenyl)methylene]-2,4-dihydroxy-6-oxo-5-triphenylphosphaniumyl-cyclohexa-1,4-dien-1-yl]-triphenyl-phosphonium; Phosphonium, [5-[(3,4-dichlorophenyl)methylene]-4,6-dihydroxy-2-oxo-3,6-cyclohexadiene-1,3-diyl]bis[triphenyl-, inner salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674712	.	.	.	.	803.6	C49H34Cl2O3P2	63.2	1250	12.9	56	0	3	9	"InChI=1S/C49H34Cl2O3P2/c50-43-32-31-35(34-44(43)51)33-42-45(52)48(55(36-19-7-1-8-20-36,37-21-9-2-10-22-37)38-23-11-3-12-24-38)47(54)49(46(42)53)56(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-34H"	C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(/C(=C/C5=CC(=C(C=C5)Cl)Cl)/C(=O)C(=C4[O-])[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)[O-]	GRQHZMQDOOMIPJ-UHFFFAOYSA-N
DG56271	"5-(2-Chlorobenzoyl)-3-[2-(4-nitrophenyl)-2-oxo-ethyl]-1,3-benzoxazol-2-one"	384675	"NSC674720; CHEMBL1977020; NSC-674720; NCI60_026514; 5-(2-chlorobenzoyl)-3-[2-(4-nitrophenyl)-2-oxo-ethyl]-1,3-benzoxazol-2-one; 5-(2-Chlorobenzoyl)-3-(2-(4-(hydroxy(oxido)amino)phenyl)-2-oxoethyl)-1,3-benzoxazol-2(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674720	.	.	.	.	436.8	C22H13ClN2O6	110	732	4.5	31	0	6	5	"InChI=1S/C22H13ClN2O6/c23-17-4-2-1-3-16(17)21(27)14-7-10-20-18(11-14)24(22(28)31-20)12-19(26)13-5-8-15(9-6-13)25(29)30/h1-11H,12H2"	C1=CC=C(C(=C1)C(=O)C2=CC3=C(C=C2)OC(=O)N3CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl	BEXZXBQWGVYTEL-UHFFFAOYSA-N
DG56272	"5-(3-Chlorobenzoyl)-3-phenacyl-1,3-benzoxazol-2-one"	384676	"NSC674721; 5-(3-chlorobenzoyl)-3-phenacyl-1,3-benzoxazol-2-one; CHEMBL1989731; 5-(3-Chlorobenzoyl)-3-(2-oxo-2-phenylethyl)-1,3-benzoxazol-2(3H)-one; NSC-674721; NCI60_026515"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674721	.	.	.	.	391.8	C22H14ClNO4	63.7	618	4.7	28	0	4	5	"InChI=1S/C22H14ClNO4/c23-17-8-4-7-15(11-17)21(26)16-9-10-20-18(12-16)24(22(27)28-20)13-19(25)14-5-2-1-3-6-14/h1-12H,13H2"	C1=CC=C(C=C1)C(=O)CN2C3=C(C=CC(=C3)C(=O)C4=CC(=CC=C4)Cl)OC2=O	GHNZZNPFOCVVLH-UHFFFAOYSA-N
DG56273	"4-(1-adamantyl)-5-(2,6-dimethoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazole"	384698	"NSC674934; CHEMBL1985625; 4-(1-adamantyl)-5-(2,6-dimethoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazole; NSC-674934; 4-(1-Adamantyl)-5-(2,6-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole; NCI60_026534"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674934	.	.	.	.	418.5	C26H30N2O3	43.3	635	5.8	31	0	4	5	"InChI=1S/C26H30N2O3/c1-29-21-9-6-10-22(30-2)23(21)25-28(24(27-31-25)20-7-4-3-5-8-20)26-14-17-11-18(15-26)13-19(12-17)16-26/h3-10,17-19,25H,11-16H2,1-2H3"	COC1=C(C(=CC=C1)OC)C2N(C(=NO2)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5	JNKXQNREVLZZMV-UHFFFAOYSA-N
DG56274	"4-(1-adamantyl)-3-(4-nitrophenyl)-5-phenyl-5H-1,2,4-oxadiazole"	384699	"NSC674935; CHEMBL1988392; 4-(1-adamantyl)-3-(4-nitrophenyl)-5-phenyl-5H-1,2,4-oxadiazole; NSC-674935; NCI60_026535; 4-(1-Adamantyl)-3-(4-(hydroxy(oxido)amino)phenyl)-5-phenyl-4,5-dihydro-1,2,4-oxadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674935	.	.	.	.	403.5	C24H25N3O3	70.6	662	5.7	30	0	4	3	"InChI=1S/C24H25N3O3/c28-27(29)21-8-6-19(7-9-21)22-25-30-23(20-4-2-1-3-5-20)26(22)24-13-16-10-17(14-24)12-18(11-16)15-24/h1-9,16-18,23H,10-15H2"	C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6	HSTKMQXUSIPRJS-UHFFFAOYSA-N
DG56275	"4-(1-adamantyl)-5-(4-chlorophenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole"	384701	"NSC674937; CHEMBL1973043; 4-(1-adamantyl)-5-(4-chlorophenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole; NSC-674937; NCI60_026537; 4-(1-Adamantyl)-5-(4-chlorophenyl)-3-(4-(hydroxy(oxido)amino)phenyl)-4,5-dihydro-1,2,4-oxadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674937	.	.	.	.	437.9	C24H24ClN3O3	70.6	696	6.3	31	0	4	3	"InChI=1S/C24H24ClN3O3/c25-20-5-1-19(2-6-20)23-27(24-12-15-9-16(13-24)11-17(10-15)14-24)22(26-31-23)18-3-7-21(8-4-18)28(29)30/h1-8,15-17,23H,9-14H2"	C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)Cl	RQUJZTUWAZDODQ-UHFFFAOYSA-N
DG56276	"4-(1-adamantyl)-5-(2-methoxyphenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole"	384702	"NSC674938; CHEMBL1977144; 4-(1-adamantyl)-5-(2-methoxyphenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole; NSC-674938; NCI60_026538; 4-(1-Adamantyl)-3-(4-(hydroxy(oxido)amino)phenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1,2,4-oxadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674938	.	.	.	.	433.5	C25H27N3O4	79.9	716	5.6	32	0	5	4	"InChI=1S/C25H27N3O4/c1-31-22-5-3-2-4-21(22)24-27(25-13-16-10-17(14-25)12-18(11-16)15-25)23(26-32-24)19-6-8-20(9-7-19)28(29)30/h2-9,16-18,24H,10-15H2,1H3"	COC1=CC=CC=C1C2N(C(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5	UTOUMURSSRDWDC-UHFFFAOYSA-N
DG56277	"3-[4-(1-adamantyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazol-5-yl]benzonitrile"	384703	"NSC674939; CHEMBL1999951; 3-[4-(1-adamantyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazol-5-yl]benzonitrile; NSC-674939; NCI60_026539; 3-(4-(1-Adamantyl)-3-(4-(hydroxy(oxido)amino)phenyl)-4,5-dihydro-1,2,4-oxadiazol-5-yl)benzonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674939	.	.	.	.	428.5	C25H24N4O3	94.4	793	5.4	32	0	5	3	"InChI=1S/C25H24N4O3/c26-15-16-2-1-3-21(11-16)24-28(25-12-17-8-18(13-25)10-19(9-17)14-25)23(27-32-24)20-4-6-22(7-5-20)29(30)31/h1-7,11,17-19,24H,8-10,12-14H2"	C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC(=C6)C#N	OYWCELLDCGQESS-UHFFFAOYSA-N
DG56278	"2-(2,3-Dihydro-1H-inden-5-ylmethyl)-3,6,7,8-tetrahydro-as-indacen-1(2H)-one"	384708	"NSC674944; CHEMBL1978362; NSC-674944; 2-(2,3-Dihydro-1H-inden-5-ylmethyl)-3,6,7,8-tetrahydro-as-indacen-1(2H)-one; NCI60_026544; 2-(indan-5-ylmethyl)-3,6,7,8-tetrahydro-2H-as-indacen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674944	.	.	.	.	302.4	C22H22O	17.1	469	5.3	23	0	1	2	"InChI=1S/C22H22O/c23-22-19(12-14-7-8-15-3-1-5-17(15)11-14)13-18-10-9-16-4-2-6-20(16)21(18)22/h7-11,19H,1-6,12-13H2"	C1CC2=C(C1)C=C(C=C2)CC3CC4=C(C3=O)C5=C(CCC5)C=C4	VYQUWDRIXTYVHL-UHFFFAOYSA-N
DG56279	"2,2-Dibromo-1-(2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]-4'-yl)ethanone"	384711	"NSC674947; CHEMBL1990361; NSC-674947; 2,2-dibromo-1-(2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]-4'-yl)ethanone; Ethanone, 2,2-dibromo-1-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]inden]-4-yl)-; NCI60_026547"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674947	.	.	.	.	528.3	C27H28Br2O	17.1	652	8.4	30	0	1	2	"InChI=1S/C27H28Br2O/c28-26(29)25(30)24-22-8-4-3-7-18(22)11-21-14-27(15-23(21)24)12-19-9-16-5-1-2-6-17(16)10-20(19)13-27/h9-11,26H,1-8,12-15H2"	C1CCC2=CC3=C(CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C(=O)C(Br)Br)C=C2C1	SWJKAABEPDFUPN-UHFFFAOYSA-N
DG56280	"Spiro[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene-2,6'-2,3,5,7-tetrahydro-s-indacene]-1'-one"	384715	"NSC674951; CHEMBL1982679; ZINC1645340; NSC-674951; NCI60_026551; spiro[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene-2,6'-2,3,5,7-tetrahydro-s-indacene]-1'-one; Spiro[2H-benz[f]indene-2,2'(5'H)-[s]indacen]-5'-one, 1,1',3,3',5,6,6',7,7',8-decahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674951	.	.	.	.	328.4	C24H24O	17.1	542	5.4	25	0	1	0	"InChI=1S/C24H24O/c25-23-6-5-17-9-20-13-24(14-21(20)10-22(17)23)11-18-7-15-3-1-2-4-16(15)8-19(18)12-24/h7-10H,1-6,11-14H2"	C1CCC2=CC3=C(CC4(C3)CC5=C(C4)C=C6C(=C5)CCC6=O)C=C2C1	AOXGNWRYOVOECO-UHFFFAOYSA-N
DG56281	"spiro[3H-indene-2,2'-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalene]-1,1'-dione"	384719	"NSC674955; CHEMBL1971032; NSC-674955; NCI60_026555; Spiro[2H-benz[e]indene-2,2'-[2H]indene]-1,1'(3'H,3H)-dione, 6,7,8,9-tetrahydro-; spiro[6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalene-2,2'-indane]-1,1'-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674955	.	.	.	.	302.4	C21H18O2	34.1	538	4.6	23	0	2	0	"InChI=1S/C21H18O2/c22-19-17-8-4-2-6-14(17)11-21(19)12-15-10-9-13-5-1-3-7-16(13)18(15)20(21)23/h2,4,6,8-10H,1,3,5,7,11-12H2"	C1CCC2=C(C1)C=CC3=C2C(=O)C4(C3)CC5=CC=CC=C5C4=O	HJEQLZWLQIVQKC-UHFFFAOYSA-N
DG56282	"2-(5,6,7,8-Tetrahydro-2-naphthalenylmethyl)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-1-one"	384720	"NSC674956; CHEMBL1995940; NSC-674956; 2-(5,6,7,8-Tetrahydro-2-naphthalenylmethyl)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-1-one; NCI60_026556; 2-(tetralin-6-ylmethyl)-2,3,6,7,8,9-hexahydrocyclopenta[a]naphthalen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674956	.	.	.	.	330.5	C24H26O	17.1	496	6.4	25	0	1	2	"InChI=1S/C24H26O/c25-24-21(14-16-9-10-17-5-1-2-7-19(17)13-16)15-20-12-11-18-6-3-4-8-22(18)23(20)24/h9-13,21H,1-8,14-15H2"	C1CCC2=C(C1)C=CC(=C2)CC3CC4=C(C3=O)C5=C(CCCC5)C=C4	NSUADTNWTVTKHX-UHFFFAOYSA-N
DG56283	"methyl 4-acetylspiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3,5-dihydro-1H-s-indacene]-4'-carboxylate"	384721	"NSC674957; CHEMBL1999121; NSC-674957; 2,2'(1H,1'H)-Spirobi[s-indacene]-4-carboxylic acid, 4'-acetyl-3,3',5,5',6',7'-hexahydro-, methyl ester; methyl 4-acetylspiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3,5-dihydro-1H-s-indacene]-4'-carboxylate; NCI60_026557"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674957	.	.	.	.	398.5	C27H26O3	43.4	770	5.5	30	0	3	3	"InChI=1S/C27H26O3/c1-15(28)24-20-7-3-5-16(20)9-18-11-27(13-22(18)24)12-19-10-17-6-4-8-21(17)25(23(19)14-27)26(29)30-2/h4,6,9-10H,3,5,7-8,11-14H2,1-2H3"	CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=CC6=C(CC=C6)C(=C5C4)C(=O)OC	ZYYVJLQEELHLTG-UHFFFAOYSA-N
DG56284	"Methyl 2-benzyl-3-oxo-1,5,6,7-tetrahydro-s-indacene-2-carboxylate"	384723	"NSC674959; CHEMBL1996397; methyl 2-benzyl-3-oxo-1,5,6,7-tetrahydro-s-indacene-2-carboxylate; Methyl 2-benzyl-1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate; NSC-674959; NCI60_026559"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674959	.	.	.	.	320.4	C21H20O3	43.4	507	4.4	24	0	3	4	"InChI=1S/C21H20O3/c1-24-20(23)21(12-14-6-3-2-4-7-14)13-17-10-15-8-5-9-16(15)11-18(17)19(21)22/h2-4,6-7,10-11H,5,8-9,12-13H2,1H3"	COC(=O)C1(CC2=C(C1=O)C=C3CCCC3=C2)CC4=CC=CC=C4	BJPDQRNMKBWSCQ-UHFFFAOYSA-N
DG56285	"3-oxospiro[1H-indene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid"	384728	"NSC674964; CHEMBL1967919; NSC-674964; NCI60_026564; Spiro[s-indacene-2(1H), 3,5,6,7,1',3'-hexahydro-3'-oxo-; 1'-oxospiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-indane]-4-carboxylic acid; Spiro[s-indacene-2(1H),2'-[2H]indene]-4-carboxylic acid, 1',3,3',5,6,7-hexahydro-1'-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674964	.	.	.	.	318.4	C21H18O3	54.4	569	3.9	24	1	3	1	"InChI=1S/C21H18O3/c22-19-16-6-2-1-4-13(16)9-21(19)10-14-8-12-5-3-7-15(12)18(20(23)24)17(14)11-21/h1-2,4,6,8H,3,5,7,9-11H2,(H,23,24)"	C1CC2=CC3=C(CC4(C3)CC5=CC=CC=C5C4=O)C(=C2C1)C(=O)O	JJJOCVOYRWCBRA-UHFFFAOYSA-N
DG56286	"Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate"	384730	"NSC674966; CHEMBL1965755; NSC-674966; Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate; NCI60_026566; methyl 2-(indan-5-ylmethyl)-3-oxo-1,5,6,7-tetrahydro-s-indacene-2-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674966	.	.	.	.	360.4	C24H24O3	43.4	613	5.2	27	0	3	4	"InChI=1S/C24H24O3/c1-27-23(26)24(13-15-8-9-16-4-2-5-17(16)10-15)14-20-11-18-6-3-7-19(18)12-21(20)22(24)25/h8-12H,2-7,13-14H2,1H3"	COC(=O)C1(CC2=C(C1=O)C=C3CCCC3=C2)CC4=CC5=C(CCC5)C=C4	OJPPMCOCOQWCNP-UHFFFAOYSA-N
DG56287	"1-(3-(1-Naphthylmethyl)-2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)ethanone"	384744	"NSC674993; CHEMBL1982628; ZINC1645364; NSC-674993; 1-(3-(1-Naphthylmethyl)-2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)ethanone; NCI60_026576; 1-[3-(1-naphthylmethyl)-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl]ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674993	.	.	.	.	384.4	C16H16O7S2	121	679	1.8	25	0	7	3	"InChI=1S/C16H16O7S2/c1-12(17)16(24(18,19)22-9-10-23-25(16,20)21)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8H,9-11H2,1H3"	CC(=O)C1(S(=O)(=O)OCCOS1(=O)=O)CC2=CC=CC3=CC=CC=C32	UZDRMFHLFFXMIL-UHFFFAOYSA-N
DG56288	"methyl (2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate"	384747	NSC674995; CHEMBL1986305; NSC-674995; NCI60_026578	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674995	.	.	.	.	416.4	C22H24O8	101	596	2.7	30	1	8	9	"InChI=1S/C22H24O8/c1-26-16-11-13(6-7-15(16)23)20-19(22(25)29-4)14-9-12(5-8-18(24)28-3)10-17(27-2)21(14)30-20/h6-7,9-11,19-20,23H,5,8H2,1-4H3/t19-,20+/m0/s1"	COC1=CC(=CC2=C1O[C@@H]([C@H]2C(=O)OC)C3=CC(=C(C=C3)O)OC)CCC(=O)OC	SWBRZPBRLCJMAS-VQTJNVASSA-N
DG56289	"Methyl 3-[2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1-benzofuran-5-yl]propanoate"	384749	NSC675002; CHEMBL1966912; NSC-675002; NCI60_026585	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675002	.	.	.	.	400.4	C22H24O7	87.4	527	3.1	29	1	7	9	"InChI=1S/C22H24O7/c1-25-17-7-6-14(11-18(17)26-2)21-16(12-23)15-9-13(5-8-20(24)28-4)10-19(27-3)22(15)29-21/h6-7,9-11,23H,5,8,12H2,1-4H3"	COC1=C(C=C(C=C1)C2=C(C3=C(O2)C(=CC(=C3)CCC(=O)OC)OC)CO)OC	GFOCZZIFHVDCBW-UHFFFAOYSA-N
DG56290	"Methyl 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate"	384751	NSC675004; CHEMBL1982066; NSC-675004; NCI60_026587	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675004	.	.	.	.	388.4	C20H20O8	123	566	2	28	3	8	7	"InChI=1S/C20H20O8/c1-26-16(24)6-3-10-7-12-17(20(25)27-2)18(28-19(12)15(23)8-10)11-4-5-13(21)14(22)9-11/h4-5,7-9,17-18,21-23H,3,6H2,1-2H3"	COC(=O)CCC1=CC2=C(C(=C1)O)OC(C2C(=O)OC)C3=CC(=C(C=C3)O)O	OSQXDMXNVSJFCV-UHFFFAOYSA-N
DG56291	NSC675012	384758	"(3R,11S,14R,22S)-6,9,17,20-tetramethoxy-11,22-dimethyl-13-oxo-1,12-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-5,7,9,16,18,20-hexaene-2-carbonitrile; NSC675012; CHEMBL2001991; NSC-675012; NCI60_026593; Pyrazino[2,4-b']diisoquinolin-14(13aH)-one, 6-cyano- 5,5a,6,8,13,16-hexahydro-1,4,9,12-tetramethoxy- 8,16-dimethyl-, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675012	.	.	.	.	477.6	C27H31N3O5	84.3	846	3.2	35	0	7	4	"InChI=1S/C27H31N3O5/c1-14-25-17(22(33-4)8-9-23(25)34-5)12-19-27(31)30-15(2)26-16(11-18(30)20(13-28)29(14)19)21(32-3)7-10-24(26)35-6/h7-10,14-15,18-20H,11-12H2,1-6H3/t14-,15-,18+,19+,20 /m0/s1"	C[C@H]1C2=C(C=CC(=C2C[C@H]3N1C(=O)[C@H]4CC5=C(C=CC(=C5[C@@H](N4C3C#N)C)OC)OC)OC)OC	LJEFZPSNBVJXJH-LRANKOCBSA-N
DG56292	NSC675206	384770	"3-Quinolinecarboxylic acid, 1-cyclopropyl-7-[4-[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(3-methyl-1-oxobutyl)amino]ethyl]-1-piperazinyl]-6-fluoro-1,4-dihydro-4-oxo-; NSC675206; 1-cyclopropyl-7-(4-{3-ethoxy-1,1,1-trifluoro-2-[(3-methylbutanoyl)amino]-3-oxopropan-2-yl}piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; CHEMBL1979839; STK377814; AKOS003319981; MCULE-1086110819; NSC-675206; 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-[4-[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(3-methyl-1-oxobutyl)amino]ethyl]-1-piperazinyl]-6-fluoro-1,4-dihydro-4-oxo-; NCI60_026606; 1-cyclopropyl-7-[4-[1-ethoxycarbonyl-2,2,2-trifluoro-1-(3-methylbutanoylamino)ethyl]piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675206	.	.	.	.	584.6	C27H32F4N4O6	120	1070	1.3	41	2	13	10	"InChI=1S/C27H32F4N4O6/c1-4-41-25(40)26(27(29,30)31,32-22(36)11-15(2)3)34-9-7-33(8-10-34)21-13-20-17(12-19(21)28)23(37)18(24(38)39)14-35(20)16-5-6-16/h12-16H,4-11H2,1-3H3,(H,32,36)(H,38,39)"	CCOC(=O)C(C(F)(F)F)(NC(=O)CC(C)C)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F	GWPKZONJLJLQMW-UHFFFAOYSA-N
DG56293	"3-Carboxy-1-ethyl-6-fluoro-7-[4-(1-benzamido-1-ethoxycarbonyl-2,2,2-trifluoroethyl)piperazinyl]-4-oxo-1,4-dihydroquinoline"	384775	"NSC675211; CHEMBL1987212; NSC-675211; 3-carboxy-1-ethyl-6-fluoro-7-[4-(1-benzamido-1-ethoxycarbonyl-2,2,2-trifluoroethyl)piperazinyl]-4-oxo-1,4-dihydroquinoline; NCI60_026611; 7-(4-[1-(Benzoylamino)-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl]-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid #; 7-[4-(1-benzamido-1-ethoxycarbonyl-2,2,2-trifluoro-ethyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid; 7-[4-(1-Benzamido-1-ethoxycarbonyl-2,2,2-trifluoroethyl)-1-piperazinyl]-1-ethyl-6-fluoro-4(1H)-oxo-3-quinolinecarboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675211	.	.	.	.	592.5	C28H28F4N4O6	120	1070	2.6	42	2	13	9	"InChI=1S/C28H28F4N4O6/c1-3-34-16-19(25(39)40)23(37)18-14-20(29)22(15-21(18)34)35-10-12-36(13-11-35)27(28(30,31)32,26(41)42-4-2)33-24(38)17-8-6-5-7-9-17/h5-9,14-16H,3-4,10-13H2,1-2H3,(H,33,38)(H,39,40)"	CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(C(=O)OCC)(C(F)(F)F)NC(=O)C4=CC=CC=C4)F)C(=O)O	AOCZIGJIXLUOCB-UHFFFAOYSA-N
DG56294	NSC675212	384776	"3-Quinolinecarboxylic acid, 7-[4-[1-(ethoxycarbonyl)-1-[(ethoxycarbonyl)amino]-2,2,2-trifluoroethyl]-1-piperazinyl]-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-; NSC675212; CHEMBL1970026; NSC-675212; 3-Quinolinecarboxylic acid, 7-[4-[1-(ethoxycarbonyl)-1-[(ethoxycarbonyl)amino]-2,2,2-trifluoroethyl]-1-piperazinyl]-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-; NCI60_026612; 7-[4-[1-ethoxycarbonyl-1-(ethoxycarbonylamino)-2,2,2-trifluoro-ethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675212	.	.	.	.	560.5	C24H28F4N4O7	129	986	1.7	39	2	14	10	"InChI=1S/C24H28F4N4O7/c1-4-30-13-15(20(34)35)19(33)14-11-16(25)18(12-17(14)30)31-7-9-32(10-8-31)23(24(26,27)28,21(36)38-5-2)29-22(37)39-6-3/h11-13H,4-10H2,1-3H3,(H,29,37)(H,34,35)"	CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(C(=O)OCC)(C(F)(F)F)NC(=O)OCC)F)C(=O)O	WXDALWZZLSGIPW-UHFFFAOYSA-N
DG56295	"Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]propanoate"	384777	"NSC675213; CHEMBL1995571; NSC-675213; ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]propanoate; NCI60_026613; SR-01000505546; SR-01000505546-1; Ethyl 2-ethoxycarbonyl-2-[4-(pyrimidin-2-yl)aminosulfonylanilino]-3,3,3-trifluoropropionate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675213	.	.	.	.	491.4	C18H20F3N5O6S	157	765	3	33	3	13	11	"InChI=1S/C18H20F3N5O6S/c1-3-31-14(27)17(18(19,20)21,25-16(28)32-4-2)24-12-6-8-13(9-7-12)33(29,30)26-15-22-10-5-11-23-15/h5-11,24H,3-4H2,1-2H3,(H,25,28)(H,22,23,26)"	CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)NC(=O)OCC	NHOXJFHCFJIUFI-UHFFFAOYSA-N
DG56296	"Ethyl 2-[4-(4,6-dimethylpyrimidin-2-ylsulfamoyl)anilino]-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate"	384778	"NSC675214; CHEMBL1998539; NSC-675214; Ethyl 2-[4-(4,6-dimethylpyrimidin-2-ylsulfamoyl)anilino]-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate; NCI60_026614; Ethyl 2-(4-([(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl)anilino)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate #; ethyl 2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-2-(ethoxycarbonylamino)-3,3,3-trifluoro-propanoate; Ethyl 2-ethoxycarbonyl-2-[4-(4,6-dimEthylpyrimidin-2-yl)aminosulfonyl]anilino-3,3,3-trifluoropropionate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675214	.	.	.	.	519.5	C20H24F3N5O6S	157	822	3.8	35	3	13	11	"InChI=1S/C20H24F3N5O6S/c1-5-33-16(29)19(20(21,22)23,27-18(30)34-6-2)26-14-7-9-15(10-8-14)35(31,32)28-17-24-12(3)11-13(4)25-17/h7-11,26H,5-6H2,1-4H3,(H,27,30)(H,24,25,28)"	CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C)NC(=O)OCC	KGIPRPGSWXIOOJ-UHFFFAOYSA-N
DG56297	"4-cyclopropyl-3-methyl-1H-1,2,4-triazol-5-one"	384779	"NSC675215; 4-cyclopropyl-3-methyl-1H-1,2,4-triazol-5-one; SCHEMBL3521233; CHEMBL1969673; 4-Cyclopropyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one; 3H-1,2,4-Triazol-3-one, 4-cyclopropyl-2,4-dihydro-5-methyl-; ZINC1645401; NSC-675215; 125835-24-7; NCI60_026615"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675215	.	.	.	.	139.16	C6H9N3O	44.7	207	-0.1	10	1	2	1	"InChI=1S/C6H9N3O/c1-4-7-8-6(10)9(4)5-2-3-5/h5H,2-3H2,1H3,(H,8,10)"	CC1=NNC(=O)N1C2CC2	OLMQFIGUQCDKMI-UHFFFAOYSA-N
DG56298	2-(Diiodomethylidene)cyclohexanone	384792	2-(Diiodomethylidene)cyclohexanone; NSC675248; CHEMBL1978804; ZINC5566695; NSC-675248; NCI60_026627	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675248	.	.	.	.	361.95	C7H8I2O	17.1	180	2.9	10	0	1	0	InChI=1S/C7H8I2O/c8-7(9)5-3-1-2-4-6(5)10/h1-4H2	C1CCC(=O)C(=C(I)I)C1	ZBDRCSSTKXSPFK-UHFFFAOYSA-N
DG56299	"1-N,4-N-bis[3-[2-chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]bicyclo[2.2.2]octane-1,4-dicarboxamide;hydrochloride"	384793	NSC675249; CHEMBL1964659; NSC-675249	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675249	.	.	.	.	710.2	C36H55Cl3N6O2	71.2	882	.	47	3	6	16	"InChI=1S/C36H54Cl2N6O2.ClH/c1-7-43(17-15-37)31-21-27(25-41(3)4)19-29(23-31)39-33(45)35-9-12-36(13-10-35,14-11-35)34(46)40-30-20-28(26-42(5)6)22-32(24-30)44(8-2)18-16-38;/h19-24H,7-18,25-26H2,1-6H3,(H,39,45)(H,40,46);1H"	CCN(CCCl)C1=CC(=CC(=C1)NC(=O)C23CCC(CC2)(CC3)C(=O)NC4=CC(=CC(=C4)CN(C)C)N(CC)CCCl)CN(C)C.Cl	LFCRGFVDUGXRNB-UHFFFAOYSA-N
DG56300	"3-N,5-N-bis[3-[2-chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-methylpyrazole-3,5-dicarboxamide;hydrochloride"	384795	NSC675250; CHEMBL2004681; NSC-675250	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675250	.	.	.	.	682.1	C32H47Cl3N8O2	89	883	.	45	3	7	16	"InChI=1S/C32H46Cl2N8O2.ClH/c1-8-41(12-10-33)27-16-23(21-38(3)4)14-25(18-27)35-31(43)29-20-30(40(7)37-29)32(44)36-26-15-24(22-39(5)6)17-28(19-26)42(9-2)13-11-34;/h14-20H,8-13,21-22H2,1-7H3,(H,35,43)(H,36,44);1H"	CCN(CCCl)C1=CC(=CC(=C1)NC(=O)C2=CC(=NN2C)C(=O)NC3=CC(=CC(=C3)CN(C)C)N(CC)CCCl)CN(C)C.Cl	JKQMTWMRPPFETR-UHFFFAOYSA-N
DG56301	NSC675251	384797	"4-N-[3-[2-chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-[3-[2-chloroethyl(hydrazinyl)amino]phenyl]benzene-1,4-dicarboxamide;hydrochloride; NSC675251; CHEMBL2005679; NSC-675251"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675251	.	.	.	.	623	C29H38Cl3N7O2	106	769	.	41	5	7	14	"InChI=1S/C29H37Cl2N7O2.ClH/c1-4-37(14-12-30)27-17-21(20-36(2)3)16-25(19-27)34-29(40)23-10-8-22(9-11-23)28(39)33-24-6-5-7-26(18-24)38(35-32)15-13-31;/h5-11,16-19,35H,4,12-15,20,32H2,1-3H3,(H,33,39)(H,34,40);1H"	CCN(CCCl)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)N(CCCl)NN)CN(C)C.Cl	NBEOUUFURODOCM-UHFFFAOYSA-N
DG56302	NSC675252	384799	"4-N-[3-[2-chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide;hydrochloride; NSC675252; CHEMBL1971078; NSC-675252"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675252	.	.	.	.	572.6	C30H39Cl2N5O2	67.9	727	.	39	3	5	12	"InChI=1S/C30H38ClN5O2.ClH/c1-6-36(15-14-31)28-18-23(21-35(4)5)17-27(19-28)33-30(38)25-12-10-24(11-13-25)29(37)32-26-9-7-8-22(16-26)20-34(2)3;/h7-13,16-19H,6,14-15,20-21H2,1-5H3,(H,32,37)(H,33,38);1H"	CCN(CCCl)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)CN(C)C)CN(C)C.Cl	NFJCNXAQQZKLQH-UHFFFAOYSA-N
DG56303	"4-N-[3-[2-chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide;hydrochloride"	384801	NSC675253; CHEMBL2002874; NSC-675253	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675253	.	.	.	.	515.5	C27H32Cl2N4O2	64.7	632	.	35	3	4	10	"InChI=1S/C27H31ClN4O2.ClH/c1-4-32(15-14-28)25-17-20(19-31(2)3)16-24(18-25)30-27(34)22-12-10-21(11-13-22)26(33)29-23-8-6-5-7-9-23;/h5-13,16-18H,4,14-15,19H2,1-3H3,(H,29,33)(H,30,34);1H"	CCN(CCCl)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)CN(C)C.Cl	CIISNMOLCZQSBC-UHFFFAOYSA-N
DG56304	"1-N-[3-[2-chloroethyl(ethyl)amino]phenyl]-4-N-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide;hydrochloride"	384803	NSC675254; CHEMBL1968597; NSC-675254	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675254	.	.	.	.	515.5	C27H32Cl2N4O2	64.7	638	.	35	3	4	10	"InChI=1S/C27H31ClN4O2.ClH/c1-4-32(16-15-28)25-10-6-9-24(18-25)30-27(34)22-13-11-21(12-14-22)26(33)29-23-8-5-7-20(17-23)19-31(2)3;/h5-14,17-18H,4,15-16,19H2,1-3H3,(H,29,33)(H,30,34);1H"	CCN(CCCl)C1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)CN(C)C.Cl	FRVRUWMTSOPATN-UHFFFAOYSA-N
DG56305	"1-N,3-N-bis[4-[2-chloroethyl(ethyl)amino]phenyl]-5-N-[2-(dimethylamino)ethyl]benzene-1,3,5-tricarboxamide;hydrochloride"	384805	NSC675255; CHEMBL1989125; NSC-675255	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675255	.	.	.	.	678.1	C33H43Cl3N6O3	97	824	.	45	4	6	16	"InChI=1S/C33H42Cl2N6O3.ClH/c1-5-40(18-15-34)29-11-7-27(8-12-29)37-32(43)25-21-24(31(42)36-17-20-39(3)4)22-26(23-25)33(44)38-28-9-13-30(14-10-28)41(6-2)19-16-35;/h7-14,21-23H,5-6,15-20H2,1-4H3,(H,36,42)(H,37,43)(H,38,44);1H"	CCN(CCCl)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)C(=O)NCCN(C)C)C(=O)NC3=CC=C(C=C3)N(CC)CCCl.Cl	LMYNFMFUCCTHOO-UHFFFAOYSA-N
DG56306	N-(2-chloroethyl)-N-methyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline;hydrochloride	384807	NSC675256; CHEMBL1995881; NSC-675256	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675256	.	.	.	.	536.5	C28H31Cl2N7	67.1	710	.	37	3	5	6	"InChI=1S/C28H30ClN7.ClH/c1-34-13-15-36(16-14-34)22-8-10-24-26(18-22)33-28(31-24)20-5-9-23-25(17-20)32-27(30-23)19-3-6-21(7-4-19)35(2)12-11-29;/h3-10,17-18H,11-16H2,1-2H3,(H,30,32)(H,31,33);1H"	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)N(C)CCCl.Cl	KKZSKPJAIAMACV-UHFFFAOYSA-N
DG56307	NSC675257	384809	"N,N-bis(2-chloroethyl)-4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propyl]aniline;hydrochloride; NSC675257; CHEMBL1973083; NSC-675257"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675257	.	.	.	.	627	C32H38Cl3N7	67.1	784	.	42	3	5	11	"InChI=1S/C32H37Cl2N7.ClH/c1-39-17-19-41(20-18-39)26-10-12-28-30(22-26)38-32(37-28)24-7-11-27-29(21-24)36-31(35-27)4-2-3-23-5-8-25(9-6-23)40(15-13-33)16-14-34;/h5-12,21-22H,2-4,13-20H2,1H3,(H,35,36)(H,37,38);1H"	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)CCCC6=CC=C(C=C6)N(CCCl)CCCl.Cl	PFOLWFMJEWLILV-UHFFFAOYSA-N
DG56308	"N-[4-(1,3-dihydrothiazolo[3,4-a]benzimidazol-1-yl)phenyl]acetamide"	384819	"NSC675271; CHEMBL2000515; NSC-675271; NCI60_026644; N-(4-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenyl)acetamide; N-[4-(1,3-dihydrothiazolo[3,4-a]benzimidazol-1-yl)phenyl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675271	.	.	.	.	309.4	C17H15N3OS	72.2	424	2.6	22	1	3	2	"InChI=1S/C17H15N3OS/c1-11(21)18-13-8-6-12(7-9-13)17-20-15-5-3-2-4-14(15)19-16(20)10-22-17/h2-9,17H,10H2,1H3,(H,18,21)"	CC(=O)NC1=CC=C(C=C1)C2N3C(=NC4=CC=CC=C43)CS2	FLRZDVVHCZSOHW-UHFFFAOYSA-N
DG56309	"4-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenyl acetate"	384820	"NSC675272; CHEMBL1982850; 4-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenyl acetate; NSC-675272; NCI60_026645; [4-(1,3-dihydrothiazolo[3,4-a]benzimidazol-1-yl)phenyl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675272	.	.	.	.	310.4	C17H14N2O2S	69.4	425	3.2	22	0	4	3	"InChI=1S/C17H14N2O2S/c1-11(20)21-13-8-6-12(7-9-13)17-19-15-5-3-2-4-14(15)18-16(19)10-22-17/h2-9,17H,10H2,1H3"	CC(=O)OC1=CC=C(C=C1)C2N3C(=NC4=CC=CC=C43)CS2	KOVSNYGBSNCEGB-UHFFFAOYSA-N
DG56310	2-(Chloromethyl)-6-hydroxy-1-(methylsulphonyl)-indoline	384835	NSC675353; 2-(Chloromethyl)-6-hydroxy-1-(methylsulphonyl)-indoline; CHEMBL432035; NSC-675353; NCI60_026653; 1-Methylsulfonyl-3-(chloromethyl)indolin-6-ol; 3-(chloromethyl)-1-methylsulfonyl-indolin-6-ol; 3-(Chloromethyl)-1-(methylsulfonyl)-6-indolinol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675353	.	.	.	.	261.73	C10H12ClNO3S	66	354	1.1	16	1	4	2	"InChI=1S/C10H12ClNO3S/c1-16(14,15)12-6-7(5-11)9-3-2-8(13)4-10(9)12/h2-4,7,13H,5-6H2,1H3"	CS(=O)(=O)N1CC(C2=C1C=C(C=C2)O)CCl	NKRUFEUYGKNSDG-UHFFFAOYSA-N
DG56311	"7-methyl-N-(2-phenylethyl)-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	384844	"MLS002702272; SMR001565834; NSC675362; cid_384844; CHEMBL1732597; BDBM96823; NSC-675362; NCI60_026662; [7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-phenethyl-amine; 7-methyl-N-(2-phenylethyl)-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-amine; 7-methyl-N-(2-phenylethyl)-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675362	.	.	.	.	477.5	C28H31NO6	67.4	645	5.6	35	1	7	8	"InChI=1S/C28H31NO6/c1-17-26(19-12-24(30-2)27(32-4)25(13-19)31-3)20-14-22-23(34-16-33-22)15-21(20)35-28(17)29-11-10-18-8-6-5-7-9-18/h5-9,12-15,17,26,28-29H,10-11,16H2,1-4H3"	CC1C(C2=CC3=C(C=C2OC1NCCC4=CC=CC=C4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC	OOHSXVUDZOOJQR-UHFFFAOYSA-N
DG56312	"N-benzyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	384845	MLS002702273; NSC675363; CHEMBL1701509; NSC-675363; NCI60_026663; SMR001565835	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675363	.	.	.	.	463.5	C27H29NO6	67.4	631	5.1	34	1	7	7	"InChI=1S/C27H29NO6/c1-16-25(18-10-23(29-2)26(31-4)24(11-18)30-3)19-12-21-22(33-15-32-21)13-20(19)34-27(16)28-14-17-8-6-5-7-9-17/h5-13,16,25,27-28H,14-15H2,1-4H3"	CC1C(C2=CC3=C(C=C2OC1NCC4=CC=CC=C4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC	CUKBCVYSDUVKMO-UHFFFAOYSA-N
DG56313	"1-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]piperazine"	384846	NSC675364; CHEMBL1982739; NSC-675364; NCI60_026664	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675364	.	.	.	.	442.5	C24H30N2O6	70.6	605	3.4	32	1	8	5	"InChI=1S/C24H30N2O6/c1-14-22(15-9-20(27-2)23(29-4)21(10-15)28-3)16-11-18-19(31-13-30-18)12-17(16)32-24(14)26-7-5-25-6-8-26/h9-12,14,22,24-25H,5-8,13H2,1-4H3"	CC1C(C2=CC3=C(C=C2OC1N4CCNCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC	DBEFHKMWRWJVAF-UHFFFAOYSA-N
DG56314	"N-cyclohexyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	384847	NSC675365; CHEMBL1973810; NSC-675365; NCI60_026665	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675365	.	.	.	.	455.5	C26H33NO6	67.4	616	5.4	33	1	7	6	"InChI=1S/C26H33NO6/c1-15-24(16-10-22(28-2)25(30-4)23(11-16)29-3)18-12-20-21(32-14-31-20)13-19(18)33-26(15)27-17-8-6-5-7-9-17/h10-13,15,17,24,26-27H,5-9,14H2,1-4H3"	CC1C(C2=CC3=C(C=C2OC1NC4CCCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC	PDVGRMYFRCDRDU-UHFFFAOYSA-N
DG56315	"N-(2-methoxyphenyl)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	384848	NSC675366; CHEMBL1997394; NSC-675366; NCI60_026666	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675366	.	.	.	.	479.5	C27H29NO7	76.6	668	5.7	35	1	8	7	"InChI=1S/C27H29NO7/c1-15-25(16-10-23(30-3)26(32-5)24(11-16)31-4)17-12-21-22(34-14-33-21)13-20(17)35-27(15)28-18-8-6-7-9-19(18)29-2/h6-13,15,25,27-28H,14H2,1-5H3"	CC1C(C2=CC3=C(C=C2OC1NC4=CC=CC=C4OC)OCO3)C5=CC(=C(C(=C5)OC)OC)OC	VADYNSKBISMIIG-UHFFFAOYSA-N
DG56316	"4-[[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]benzoic acid"	384849	MLS002702277; NSC675367; CHEMBL1875437; NSC-675367; NCI60_026667; SMR001565839	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675367	.	.	.	.	493.5	C27H27NO8	105	731	5.3	36	2	9	7	"InChI=1S/C27H27NO8/c1-14-24(16-9-22(31-2)25(33-4)23(10-16)32-3)18-11-20-21(35-13-34-20)12-19(18)36-26(14)28-17-7-5-15(6-8-17)27(29)30/h5-12,14,24,26,28H,13H2,1-4H3,(H,29,30)"	CC1C(C2=CC3=C(C=C2OC1NC4=CC=C(C=C4)C(=O)O)OCO3)C5=CC(=C(C(=C5)OC)OC)OC	JHSXJMVGOLVTFP-UHFFFAOYSA-N
DG56317	"ethyl 4-[[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]benzoate"	384850	NSC675368; CHEMBL1983043; NSC-675368; NCI60_026668	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675368	.	.	.	.	521.6	C29H31NO8	93.7	762	6	38	1	9	9	"InChI=1S/C29H31NO8/c1-6-35-29(31)17-7-9-19(10-8-17)30-28-16(2)26(18-11-24(32-3)27(34-5)25(12-18)33-4)20-13-22-23(37-15-36-22)14-21(20)38-28/h7-14,16,26,28,30H,6,15H2,1-5H3"	CCOC(=O)C1=CC=C(C=C1)NC2C(C(C3=CC4=C(C=C3O2)OCO4)C5=CC(=C(C(=C5)OC)OC)OC)C	HCTURDIOIWGOOY-UHFFFAOYSA-N
DG56318	"8-(4-Hydroxy-3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one"	384851	MLS002702279; NSC675369; CHEMBL1893885; NSC-675369; NCI60_026669; SMR001565841	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675369	.	.	.	.	354.3	C19H14O7	83.4	617	2.4	26	1	7	2	"InChI=1S/C19H14O7/c1-22-13-4-9(2-3-11(13)20)17-10-5-14-15(25-8-24-14)6-12(10)26-16-7-23-19(21)18(16)17/h2-6,17,20H,7-8H2,1H3"	COC1=C(C=CC(=C1)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4)O	BAAZAAOLHHFWJV-UHFFFAOYSA-N
DG56319	"[2-Methoxy-4-(6-oxo-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-8-yl)phenyl] acetate"	384852	MLS002702280; NSC675370; CHEMBL1974755; NSC-675370; NCI60_026670; SMR001565842	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675370	.	.	.	.	396.3	C21H16O8	89.5	718	2.5	29	0	8	4	"InChI=1S/C21H16O8/c1-10(22)28-13-4-3-11(5-15(13)24-2)19-12-6-16-17(27-9-26-16)7-14(12)29-18-8-25-21(23)20(18)19/h3-7,19H,8-9H2,1-2H3"	CC(=O)OC1=C(C=C(C=C1)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4)OC	BKHOASBTILGREP-UHFFFAOYSA-N
DG56320	"12-Hydroxy-6-oxo-indolo[2,1-b]quinazoline-12-carboxylic acid"	384866	"NSC675462; CHEMBL1967759; 6,1-b]quinazoline-12-carboxylic acid; NSC-675462; NCI60_026672; 12-hydroxy-6-oxo-indolo[2,1-b]quinazoline-12-carboxylic acid; Indolo[2,1-b]quinazoline-12-carboxylic acid, 6,12-dihydro-12-hydroxy-6-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675462	.	.	.	.	294.26	C16H10N2O4	90.2	560	1.1	22	2	5	1	"InChI=1S/C16H10N2O4/c19-13-9-5-1-4-8-12(9)18-14(13)17-11-7-3-2-6-10(11)16(18,22)15(20)21/h1-8,22H,(H,20,21)"	C1=CC=C2C(=C1)C(=O)C3=NC4=CC=CC=C4C(N23)(C(=O)O)O	OQLFADDEFBWNGU-UHFFFAOYSA-N
DG56321	"2(3H)-Furanone, dihydro-3-(3,4,5-trimethoxybenzyl)-4-veratryl-, trans-"	384878	"10516-73-1; Di-o-methylthujaplicatin methyl ether; NSC675474; Thujaplicatin, tri-O-methyl-; CHEMBL1990222; DTXSID20909364; ( )-Thujaplicatin trimethyl ether; Dihydro-3-(3,4,5-trimethoxybenzyl)-4-veratryl-2(3H)-furanone trans-; 2(3H)-Furanone, dihydro-3-(3,4,5-trimethoxybenzyl)-4-veratryl-, trans-; NSC-675474; NCI60_026677; Thujaplicatin, tri-O-methyl-, (-)-trans-; (3R,4R)-4-(3,4-Dimethoxybenzyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one; 2(3H)-Furanone, dihydro-3-(3,4,5-trimethoxybenzyl)-4-veratryl-, (-)-trans-; 4-[(3,4-dimethoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one; 2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-, (3R,4R)-; 2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-, (3R-trans)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675474	.	.	.	.	416.5	C23H28O7	72.4	528	3.9	30	0	7	9	"InChI=1S/C23H28O7/c1-25-18-7-6-14(10-19(18)26-2)8-16-13-30-23(24)17(16)9-15-11-20(27-3)22(29-5)21(12-15)28-4/h6-7,10-12,16-17H,8-9,13H2,1-5H3/t16-,17+/m0/s1"	COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C(=C3)OC)OC)OC)OC	QFFURUDOUPSWTF-DLBZAZTESA-N
DG56322	"7-Bromo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one"	384881	NSC675477; CHEMBL1975177; SCHEMBL11047724; NSC-675477; NCI60_026680	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675477	.	.	.	.	366.2	C18H12BrN3O	48.5	550	3.7	23	1	2	0	"InChI=1S/C18H12BrN3O/c19-10-5-6-15-13(9-10)11-7-8-22-17(16(11)20-15)21-14-4-2-1-3-12(14)18(22)23/h1-6,9,20H,7-8H2"	C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=C(N4)C=CC(=C5)Br	KWZBMRBWEHFCMK-UHFFFAOYSA-N
DG56323	"(1aR,6aR,7S,7aR)-7-(hydroxymethyl)-3,3,6a,7a-tetramethyl-1a,2a,4,5,6,7-hexahydronaphtho[2,3-b]oxiren-2-one"	384882	CHEMBL1965902; NSC675554; NSC-675554; NCI60_026681	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675554	.	.	.	.	252.35	C15H24O3	49.8	403	2.5	18	1	3	1	"InChI=1S/C15H24O3/c1-13(2)6-5-7-14(3)9(8-16)15(4)12(18-15)10(17)11(13)14/h9,11-12,16H,5-8H2,1-4H3/t9-,11 ,12+,14-,15-/m1/s1"	C[C@]12CCCC(C1C(=O)[C@H]3[C@@]([C@@H]2CO)(O3)C)(C)C	AHPUPUJYVYUVKA-LMCMSHIWSA-N
DG56324	"6-(2-(Diethylamino)ethyl)-8,10-dimethylpurino[7,8-a]quinazoline-5,9,11(6H,8H,10H)-trione"	384892	"NSC675574; CHEMBL1993150; NSC-675574; 6-(2-(Diethylamino)ethyl)-8,10-dimethylpurino[7,8-a]quinazoline-5,9,11(6H,8H,10H)-trione; NCI60_026691; 6-(2-diethylaminoethyl)-8,10-dimethyl-purino[7,8-a]quinazoline-5,9,11-trione; 6-[2-(Diethylamino)ethyl]-8,10-dimethyl-6,7,8,10,11b-pentaaza-11bH-benzo[c]fluorene-5,9,11(6H,8H,10H)-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675574	.	.	.	.	396.4	C20H24N6O3	82	683	1.4	29	0	5	5	"InChI=1S/C20H24N6O3/c1-5-24(6-2)11-12-25-17(27)13-9-7-8-10-14(13)26-15-16(21-19(25)26)22(3)20(29)23(4)18(15)28/h7-10H,5-6,11-12H2,1-4H3"	CCN(CC)CCN1C(=O)C2=CC=CC=C2N3C1=NC4=C3C(=O)N(C(=O)N4C)C	BBXZOBBJFMADFW-UHFFFAOYSA-N
DG56325	"6-(3-(Diethylamino)propyl)-8,10-dimethylpurino[7,8-a]quinazoline-5,9,11(6H,8H,10H)-trione"	384894	"NSC675576; CHEMBL1964885; NSC-675576; 6-(3-(Diethylamino)propyl)-8,10-dimethylpurino[7,8-a]quinazoline-5,9,11(6H,8H,10H)-trione; NCI60_026693; 6-[3-(diethylamino)propyl]-8,10-dimethyl-purino[7,8-a]quinazoline-5,9,11-trione; 6-[3-(Diethylamino)propyl]-8,10-dimethyl-6,7,8,10,11b-pentaaza-11bH-benzo[c]fluorene-5,9,11(6H,8H,10H)-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675576	.	.	.	.	410.5	C21H26N6O3	82	698	1.8	30	0	5	6	"InChI=1S/C21H26N6O3/c1-5-25(6-2)12-9-13-26-18(28)14-10-7-8-11-15(14)27-16-17(22-20(26)27)23(3)21(30)24(4)19(16)29/h7-8,10-11H,5-6,9,12-13H2,1-4H3"	CCN(CC)CCCN1C(=O)C2=CC=CC=C2N3C1=NC4=C3C(=O)N(C(=O)N4C)C	GBRZXYYLOFUEIO-UHFFFAOYSA-N
DG56326	10-(4-Chlorobutyl)-3-nitrophenothiazine	384900	NSC675588; 10-(4-chlorobutyl)-3-nitrophenothiazine; CHEMBL2003368; ZINC5593892; NSC-675588; NCI60_026699; 10-(4-chlorobutyl)-3-nitro-phenothiazine; 10-(4-Chlorobutyl)-3-nitro-10H-phenothiazine; 10-(4-Chlorobutyl)-3-(hydroxy(oxido)amino)-10H-phenothiazine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675588	.	.	.	.	334.8	C16H15ClN2O2S	74.4	393	5.3	22	0	4	4	"InChI=1S/C16H15ClN2O2S/c17-9-3-4-10-18-13-5-1-2-6-15(13)22-16-11-12(19(20)21)7-8-14(16)18/h1-2,5-8,11H,3-4,9-10H2"	C1=CC=C2C(=C1)N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCCCCl	SQVNSHSOPIAHBP-UHFFFAOYSA-N
DG56327	NSC675593	384902	"[6-[4-[6-(dipropylcarbamothioylsulfanyl)-2-methyl-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-2-methyl-5-nitro-pyrimidin-4-yl] N,N-dipropylcarbamodithioate; NSC675593; NCIMech_000666; CHEMBL1986903; CCG-36101; ZINC59365284; NSC-675593; NCI60_026701; [6-[4-[6-(dipropylcarbamothioylsulfanyl)-2-methyl-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-2-methyl-5-nitro-pyrimidin-4-yl] N,N-dipropylcarbamodithioate; Carbamodithioic acid, diester with 1,4-piperazinediylbis(2-methyl-5-nitro-4-pyrimidinyl- 6-thiol); Carbamodithioic acid, dipropyl-, diester with 1,4-piperazinediylbis(2-methyl-5-nitro-4-pyrimidinyl-6-thiol)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675593	.	.	.	.	711	C28H42N10O4S4	271	926	7.4	46	0	14	14	"InChI=1S/C28H42N10O4S4/c1-7-11-35(12-8-2)27(43)45-25-21(37(39)40)23(29-19(5)31-25)33-15-17-34(18-16-33)24-22(38(41)42)26(32-20(6)30-24)46-28(44)36(13-9-3)14-10-4/h7-18H2,1-6H3"	CCCN(CCC)C(=S)SC1=NC(=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=C(C(=NC(=N3)C)SC(=S)N(CCC)CCC)[N+](=O)[O-])C	SSPQQHSNNOMMED-UHFFFAOYSA-N
DG56328	"2,7-Diphenyl-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-9-one"	384942	"NSC675766; 2,7-Diphenyl-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-9-one; MLS000858981; CHEMBL1391636; SCHEMBL17175829; HMS2778A07; ZINC1036125; CCG-238305; MCULE-4314475137; NSC-675766; NCI60_026714; SMR000459060; 2,7-diphenyl-3H-thieno[[ ]:[ ]]pyrimido[[ ]][1,3,4]thiadiazin-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675766	.	.	.	.	375.5	C20H13N3OS2	98.6	623	5	26	0	5	2	"InChI=1S/C20H13N3OS2/c24-19-15-11-17(14-9-5-2-6-10-14)26-18(15)21-20-23(19)22-16(12-25-20)13-7-3-1-4-8-13/h1-11H,12H2"	C1C(=NN2C(=O)C3=C(N=C2S1)SC(=C3)C4=CC=CC=C4)C5=CC=CC=C5	OHFCMAKJCYLGAZ-UHFFFAOYSA-N
DG56329	"2-(4-Methoxyphenyl)-7-phenyl-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-9-one"	384945	"NSC675769; CHEMBL1977297; ZINC4335247; CCG-238301; MCULE-1134310939; NSC-675769; 2-(4-Methoxyphenyl)-7-phenyl-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-9-one; NCI60_026717; 2-(4-methoxyphenyl)-7-phenyl-3H-thieno[[ ]:[ ]]pyrimido[[ ]][1,3,4]thiadiazin-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675769	.	.	.	.	405.5	C21H15N3O2S2	108	669	5	28	0	6	3	"InChI=1S/C21H15N3O2S2/c1-26-15-9-7-13(8-10-15)17-12-27-21-22-19-16(20(25)24(21)23-17)11-18(28-19)14-5-3-2-4-6-14/h2-11H,12H2,1H3"	COC1=CC=C(C=C1)C2=NN3C(=O)C4=C(N=C3SC2)SC(=C4)C5=CC=CC=C5	JQCIEWDBXDPFTD-UHFFFAOYSA-N
DG56330	4-((3-(2-Thienyl)-2-quinoxalinyl)amino)benzoic acid	384947	NSC675771; 4-[[3-(2-thienyl)quinoxalin-2-yl]amino]benzoic acid; 4-((3-(2-Thienyl)-2-quinoxalinyl)amino)benzoic acid; CHEMBL2001829; NSC-675771; NCI60_026719	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675771	.	.	.	.	347.4	C19H13N3O2S	103	470	4	25	2	6	4	"InChI=1S/C19H13N3O2S/c23-19(24)12-7-9-13(10-8-12)20-18-17(16-6-3-11-25-16)21-14-4-1-2-5-15(14)22-18/h1-11H,(H,20,22)(H,23,24)"	C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)C(=O)O)C4=CC=CS4	KGKGVKCWIMOIFH-UHFFFAOYSA-N
DG56331	Diethyl 2-[[4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate	384948	"NSC675772; CHEMBL1977254; NSC-675772; diethyl 2-[[4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate; NCI60_026720; Glutamic acid, N-[4-[[6-(trifluoromethyl)-2-quinoxalinyl]amino]benzoyl]-, diethyl ester; 2-[[4-[[6-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675772	.	.	.	.	518.5	C25H25F3N4O5	120	776	4.1	37	2	11	12	"InChI=1S/C25H25F3N4O5/c1-3-36-22(33)12-11-19(24(35)37-4-2)32-23(34)15-5-8-17(9-6-15)30-21-14-29-20-13-16(25(26,27)28)7-10-18(20)31-21/h5-10,13-14,19H,3-4,11-12H2,1-2H3,(H,30,31)(H,32,34)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=CN=C3C=C(C=CC3=N2)C(F)(F)F	CRACCCVRFGULLO-UHFFFAOYSA-N
DG56332	"3-Phenyl-6-(trifluoromethyl)-2-(3,4,5-trimethoxyphenoxy)quinoxaline"	384950	"NSC675774; CHEMBL1982929; 3-Phenyl-6-(trifluoromethyl)-2-(3,4,5-trimethoxyphenoxy)quinoxaline; NSC-675774; NCI60_026722"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675774	.	.	.	.	456.4	C24H19F3N2O4	62.7	605	5.5	33	0	9	6	"InChI=1S/C24H19F3N2O4/c1-30-19-12-16(13-20(31-2)22(19)32-3)33-23-21(14-7-5-4-6-8-14)28-18-11-15(24(25,26)27)9-10-17(18)29-23/h4-13H,1-3H3"	COC1=CC(=CC(=C1OC)OC)OC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4	FGLGRCDXJOUAFW-UHFFFAOYSA-N
DG56333	"3-(2-Thienyl)-N-(3,4,5-trimethoxybenzyl)-2-quinoxalinamine"	384955	"NSC675779; CHEMBL1971992; NSC-675779; NCI60_026727; 3-(2-Thienyl)-N-(3,4,5-trimethoxybenzyl)-2-quinoxalinamine; N-(3,4,5-Trimethoxybenzyl)-3-(2-thienyl)quinoxalin-2-amine; N-(3-(2-Thienyl)-2-quinoxalinyl)-N-(3,4,5-trimethoxybenzyl)amine; 3-(2-thienyl)-N-[(3,4,5-trimethoxyphenyl)methyl]quinoxalin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675779	.	.	.	.	407.5	C22H21N3O3S	93.7	500	4.3	29	1	7	7	"InChI=1S/C22H21N3O3S/c1-26-17-11-14(12-18(27-2)21(17)28-3)13-23-22-20(19-9-6-10-29-19)24-15-7-4-5-8-16(15)25-22/h4-12H,13H2,1-3H3,(H,23,25)"	COC1=CC(=CC(=C1OC)OC)CNC2=NC3=CC=CC=C3N=C2C4=CC=CS4	LUTDRROLXXLKNV-UHFFFAOYSA-N
DG56334	N-(4-Methoxybenzyl)-3-(2-thienyl)-2-quinoxalinamine	384959	NSC675783; CHEMBL2003574; NSC-675783; NCI60_026731; N-(4-Methoxybenzyl)-3-(2-thienyl)-2-quinoxalinamine; N-(4-Methoxybenzyl)-3-(2-thienyl)quinoxalin-2-amine; N-(4-Methoxybenzyl)-N-(3-(2-thienyl)-2-quinoxalinyl)amine; N-[(4-methoxyphenyl)methyl]-3-(2-thienyl)quinoxalin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675783	.	.	.	.	347.4	C20H17N3OS	75.3	416	4.4	25	1	5	5	"InChI=1S/C20H17N3OS/c1-24-15-10-8-14(9-11-15)13-21-20-19(18-7-4-12-25-18)22-16-5-2-3-6-17(16)23-20/h2-12H,13H2,1H3,(H,21,23)"	COC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N=C2C4=CC=CS4	CWFYUPAGZDCBJS-UHFFFAOYSA-N
DG56335	N-[4-(1-adamantyl)thiazol-2-yl]-8-allyl-2-oxo-chromene-3-carboxamide	384971	"NSC675801; CHEMBL1985143; NSC-675801; NCI60_026744; N-[4-(1-adamantyl)thiazol-2-yl]-8-allyl-2-oxo-chromene-3-carboxamide; N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-8-allyl-2-oxo-2H-chromene-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675801	.	.	.	.	446.6	C26H26N2O3S	96.5	798	6.3	32	1	5	5	"InChI=1S/C26H26N2O3S/c1-2-4-18-5-3-6-19-10-20(24(30)31-22(18)19)23(29)28-25-27-21(14-32-25)26-11-15-7-16(12-26)9-17(8-15)13-26/h2-3,5-6,10,14-17H,1,4,7-9,11-13H2,(H,27,28,29)"	C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5	DGOJDXCXQFCQTB-UHFFFAOYSA-N
DG56336	"2-Nitro-6,7-dihydroindolo[1,2-c][3]benzazepin-13-one"	384992	"NSC675819; 2-nitro-6,7-dihydroindolo[1,2-c][3]benzazepin-13-one; CHEMBL1993322; NSC-675819; NCI60_026762; 2-(Hydroxy(oxido)amino)-6,7-dihydro-13H-indolo[2,1-b][3]benzazepin-13-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675819	.	.	.	.	292.29	C17H12N2O3	66.1	525	3.7	22	0	4	0	"InChI=1S/C17H12N2O3/c20-17-14-10-13(19(21)22)5-6-15(14)18-8-7-11-3-1-2-4-12(11)9-16(17)18/h1-6,9-10H,7-8H2"	C1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=CC4=CC=CC=C41	BQXYBAAHTMPEAF-UHFFFAOYSA-N
DG56337	"6,7-Dihydroindolo[1,2-c][3]benzazepin-13-one"	384993	"NSC675820; 6,7-dihydroindolo[1,2-c][3]benzazepin-13-one; 6,7-Dihydro-13H-indolo[2,1-b][3]benzazepin-13-one; CHEMBL1968007; NSC-675820; NCI60_026763"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675820	.	.	.	.	247.29	C17H13NO	20.3	414	3.9	19	0	2	0	"InChI=1S/C17H13NO/c19-17-14-7-3-4-8-15(14)18-10-9-12-5-1-2-6-13(12)11-16(17)18/h1-8,11H,9-10H2"	C1CN2C3=CC=CC=C3C(=O)C2=CC4=CC=CC=C41	FDIGEYFZLWQQSC-UHFFFAOYSA-N
DG56338	1-[(2-chlorophenyl)methyl]-5-nitro-2H-indazol-3-one	384996	"NSC675823; 1-[(2-chlorophenyl)methyl]-5-nitro-2H-indazol-3-one; CHEMBL1981298; NSC-675823; NCI60_026766; 1-(2-Chlorobenzyl)-5-nitro-1H-indazol-3-ol; 1-(2-Chlorobenzyl)-5-(hydroxy(oxido)amino)-1,2-dihydro-3H-indazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675823	.	.	.	.	303.7	C14H10ClN3O3	78.2	428	3.2	21	1	4	2	"InChI=1S/C14H10ClN3O3/c15-12-4-2-1-3-9(12)8-17-13-6-5-10(18(20)21)7-11(13)14(19)16-17/h1-7H,8H2,(H,16,19)"	C1=CC=C(C(=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2)Cl	BEJVFLFTKMAJCM-UHFFFAOYSA-N
DG56339	"2,4,6-Trioxohexahydro-5-pyrimidinyl diethyldithiocarbamate"	385010	"NSC675863; 2,4,6-Trioxohexahydro-5-pyrimidinyl diethyldithiocarbamate; CHEMBL1974155; ZINC1645561; NSC-675863; NCI60_026783; 5-(diethylaminothiocarbonylthio)barbituric acid; AE-406/40544269; (2,4,6-trioxohexahydropyrimidin-5-yl) N,N-diethylcarbamodithioate; N,N-Diethyldithiocarbamic acid [(2,4,6-trioxohexahydropyrimidin)-5-yl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675863	.	.	.	.	275.4	C9H13N3O3S2	136	349	0.7	17	2	5	4	"InChI=1S/C9H13N3O3S2/c1-3-12(4-2)9(16)17-5-6(13)10-8(15)11-7(5)14/h5H,3-4H2,1-2H3,(H2,10,11,13,14,15)"	CCN(CC)C(=S)SC1C(=O)NC(=O)NC1=O	ZMIXTWOFJGXDND-UHFFFAOYSA-N
DG56340	"Isothiazolo[4,3-(beta-D-ribofuranosyl)-"	385012	"NSC675865; 155666-65-2; NSC675866; NSC-675865; SCHEMBL3957194; CHEMBL1978478; DTXSID00327668; NSC-675866; NCI60_026785; NCI60_026786; Isothiazolo[4,3-(.beta.-D-ribofuranosyl)-; D-Ribitol,5-d]pyrimidin-3-yl)-1,4-anhydro-; 1-(7-Aminoisothiazolo[4,5-d]pyrimidin-3-yl)-1,4-anhydropentitol; D-Ribitol, 1-C-(7-aminoisothiazolo[4,5-d]pyrimidin-3-yl)-1,4-anhydro-, (1S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675865	.	.	.	.	284.29	C10H12N4O4S	163	339	-0.6	19	4	9	2	"InChI=1S/C10H12N4O4S/c11-10-9-5(12-2-13-10)4(14-19-9)8-7(17)6(16)3(1-15)18-8/h2-3,6-8,15-17H,1H2,(H2,11,12,13)"	C1=NC2=C(C(=N1)N)SN=C2C3C(C(C(O3)CO)O)O	YGFGQYZYMXRMTP-UHFFFAOYSA-N
DG56341	"Dimethyl 2-(fluoromethyl)-6-methyl-4-(9-oxoxanthen-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate"	385014	"NSC675868; CHEMBL1992071; NSC-675868; 3,5-Pyridinedicarboxylic acid, 2-(fluoromethyl)-1,4-dihydro-6-methyl-4-(9-oxo-9H-xanthen-4-yl)-, dimethyl ester; dimethyl 2-(fluoromethyl)-6-methyl-4-(9-oxoxanthen-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate; NCI60_026788; 2-(Fluoromethyl)-4-(9-oxo-9H-xanthen-4-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675868	.	.	.	.	437.4	C24H20FNO6	90.9	865	3.4	32	1	8	6	"InChI=1S/C24H20FNO6/c1-12-18(23(28)30-2)19(20(24(29)31-3)16(11-25)26-12)14-8-6-9-15-21(27)13-7-4-5-10-17(13)32-22(14)15/h4-10,19,26H,11H2,1-3H3"	CC1=C(C(C(=C(N1)CF)C(=O)OC)C2=CC=CC3=C2OC4=CC=CC=C4C3=O)C(=O)OC	ZKKUXDWRQPUELU-UHFFFAOYSA-N
DG56342	"Isothiazolo[5,4-b]pyridine-2(3H)-acetic acid, 5-nitro-3-oxo-, ethyl ester"	385040	"NSC675961; CHEMBL1975414; Isothiazolo[5,4-b]pyridine-2(3H)-acetic acid, 5-nitro-3-oxo-, ethyl ester; NSC-675961; NCI60_026813; ethyl 2-(5-nitro-3-oxo-isothiazolo[5,4-b]pyridin-2-yl)acetate; (3-Oxo-5-nitro-2,3-dihydroisothiazolo[5,4-b]pyridin)-2-ylacetic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675961	.	.	.	.	283.26	C10H9N3O5S	131	399	0.8	19	0	7	4	"InChI=1S/C10H9N3O5S/c1-2-18-8(14)5-12-10(15)7-3-6(13(16)17)4-11-9(7)19-12/h3-4H,2,5H2,1H3"	CCOC(=O)CN1C(=O)C2=C(S1)N=CC(=C2)[N+](=O)[O-]	BLRLCZDVLCCCJM-UHFFFAOYSA-N
DG56343	NSC675963	385042	"3-[3-[2-[Bis[2-[[3-(3-carboxy-2-methoxy-phenyl)-2-methoxy-benzoyl]amino]ethyl]amino]ethylcarbamoyl]-2-methoxy-phenyl]-2-methoxy-benzoic acid; NSC675963; CHEMBL1992954; NSC-675963; NCI60_026815; 3'-(((2-(Bis(2-(((3'-carboxy-2,2'-dimethoxy[1,1'-biphenyl]-3-yl)carbonyl)amino)ethyl)amino)ethyl)amino)carbonyl)-2,2'-dimethoxy[1,1'-biphenyl]-3-carboxylic acid; 3-[3-[2-[bis[2-[[3-(3-carboxy-2-methoxy-phenyl)-2-methoxy-benzoyl]amino]ethyl]amino]ethylcarbamoyl]-2-methoxy-phenyl]-2-methoxy-benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675963	.	.	.	.	999	C54H54N4O15	258	1610	4.2	73	6	16	24	"InChI=1S/C54H54N4O15/c1-68-43-31(34-16-10-22-40(52(62)63)46(34)71-4)13-7-19-37(43)49(59)55-25-28-58(29-26-56-50(60)38-20-8-14-32(44(38)69-2)35-17-11-23-41(53(64)65)47(35)72-5)30-27-57-51(61)39-21-9-15-33(45(39)70-3)36-18-12-24-42(54(66)67)48(36)73-6/h7-24H,25-30H2,1-6H3,(H,55,59)(H,56,60)(H,57,61)(H,62,63)(H,64,65)(H,66,67)"	COC1=C(C=CC=C1C(=O)NCCN(CCNC(=O)C2=CC=CC(=C2OC)C3=C(C(=CC=C3)C(=O)O)OC)CCNC(=O)C4=CC=CC(=C4OC)C5=C(C(=CC=C5)C(=O)O)OC)C6=C(C(=CC=C6)C(=O)O)OC	IJQAKTXGGGZOSI-UHFFFAOYSA-N
DG56344	"4H-Pyrano[2,3-a]acridin-4-one, 12-amino-2-phenyl-"	385046	"NSC675967; 4H-Pyrano[2,3-a]acridin-4-one, 12-amino-2-phenyl-; CHEMBL1971817; NSC-675967; NCI60_026819; 12-amino-2-phenyl-pyrano[2,3-a]acridin-4-one; 12-amino-2-phenylpyrano[2,3-a]-acridin-4-one; 2-Phenyl-12-amino-4H-1-oxa-7-azabenz[a]anthracen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675967	.	.	.	.	338.4	C22H14N2O2	65.2	583	4.1	26	1	4	1	"InChI=1S/C22H14N2O2/c23-21-14-8-4-5-9-16(14)24-17-11-10-15-18(25)12-19(26-22(15)20(17)21)13-6-2-1-3-7-13/h1-12H,(H2,23,24)"	C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=C(C5=CC=CC=C5N=C4C=C3)N	KJASZOGBCZIQRO-UHFFFAOYSA-N
DG56345	NSC675984	385055	"N-(2-morpholin-4-ylethyl)-9-oxo-2-thia-11,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7,12,14,16-heptaene-13-carboxamide; NSC675984; CHEMBL172337; NSC-675984; NCI60_026828; N-(2-morpholinoethyl)-oxo-[ ]carboxamide; 11H-[1]Benzothiopyrano[2,3-e]imidazo[1,2-a]pyridine-2-carboxamide, N-[2-(4-morpholinyl)ethyl]-11-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675984	.	.	.	.	408.5	C21H20N4O3S	101	629	3	29	1	6	4	"InChI=1S/C21H20N4O3S/c26-20-14-3-1-2-4-16(14)29-17-5-6-18-23-15(13-25(18)19(17)20)21(27)22-7-8-24-9-11-28-12-10-24/h1-6,13H,7-12H2,(H,22,27)"	C1COCCN1CCNC(=O)C2=CN3C(=N2)C=CC4=C3C(=O)C5=CC=CC=C5S4	OANFPOKXGACZOV-UHFFFAOYSA-N
DG56346	"11H-[1]Benzothiopyrano[2,3-e]imidazo[1,2-a]pyridine-2-carboxamide, 11-oxo-N-[2-(1-pyrrolidinyl)ethyl]-"	385056	"NSC675985; CHEMBL171026; NSC-675985; NCI60_026829; oxo-N-(2-pyrrolidin-1-ylethyl)[ ]carboxamide; 11H-[1]Benzothiopyrano[2,2-a]pyridine- 2-carboxamide, 11-oxo-N-[2-(1-pyrrolidinyl)ethyl]-; 11H-[1]Benzothiopyrano[2,3-e]imidazo[1,2-a]pyridine-2-carboxamide, 11-oxo-N-[2-(1-pyrrolidinyl)ethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675985	.	.	.	.	392.5	C21H20N4O2S	92	611	3.8	28	1	5	4	"InChI=1S/C21H20N4O2S/c26-20-14-5-1-2-6-16(14)28-17-7-8-18-23-15(13-25(18)19(17)20)21(27)22-9-12-24-10-3-4-11-24/h1-2,5-8,13H,3-4,9-12H2,(H,22,27)"	C1CCN(C1)CCNC(=O)C2=CN3C(=N2)C=CC4=C3C(=O)C5=CC=CC=C5S4	ALVQMLUYWKLULI-UHFFFAOYSA-N
DG56347	"N-(2-(Diethylamino)ethyl)-11-oxo-11H-imidazo(1,2-a)thiochromeno(2,3-e)pyridine-2-carboxamide"	385057	"NSC675986; 4742-69-2; N-(2-(Diethylamino)ethyl)-11-oxo-11H-imidazo(1,2-a)thiochromeno(2,3-e)pyridine-2-carboxamide; N-(2-(Diethylamino)ethyl)-11-oxo-11H-imidazo[1,2-a]thiochromeno[2,3-e]pyridine-2-carboxamide; NSC 675986; CHEMBL1994966; DTXSID30197134; ZINC1645600; NSC-675986; NCI60_026830; N-(2-diethylaminoethyl)-oxo-[ ]carboxamide; 11H-Benzothiopyrano[2',6]pyrido[1,2-a]imidazole- 2-carboxamide, N-[2-(2-diethylamino)ethyl]-11-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675986	.	.	.	.	394.5	C21H22N4O2S	92	585	4.1	28	1	5	6	"InChI=1S/C21H22N4O2S/c1-3-24(4-2)12-11-22-21(27)15-13-25-18(23-15)10-9-17-19(25)20(26)14-7-5-6-8-16(14)28-17/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,27)"	CCN(CC)CCNC(=O)C1=CN2C(=N1)C=CC3=C2C(=O)C4=CC=CC=C4S3	NRWZCQQXDMICFD-UHFFFAOYSA-N
DG56348	"11H-[1]Benzothiopyrano[2,3-e]imidazo[1,2-a]pyridine-2-carboxamide, N-[3-(dimethylamino)propyl]-11-oxo-"	385059	"NSC675988; CHEMBL171004; ZINC1645602; NSC-675988; NCI60_026832; N-[3-(dimethylamino)propyl]-oxo-[ ]carboxamide; 11H-[1]Benzothiopyrano[2,2-a]pyridine- 2-carboxamide, N-[3-(dimethylamino)propyl]-11-oxo-; 11H-[1]Benzothiopyrano[2,3-e]imidazo[1,2-a]pyridine-2-carboxamide, N-[3-(dimethylamino)propyl]-11-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675988	.	.	.	.	380.5	C20H20N4O2S	92	572	3.7	27	1	5	5	"InChI=1S/C20H20N4O2S/c1-23(2)11-5-10-21-20(26)14-12-24-17(22-14)9-8-16-18(24)19(25)13-6-3-4-7-15(13)27-16/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,26)"	CN(C)CCCNC(=O)C1=CN2C(=N1)C=CC3=C2C(=O)C4=CC=CC=C4S3	VPBDEASCVVRRKT-UHFFFAOYSA-N
DG56349	"5,7-Dichloro[1,3]dithiolo[4,5-d]pyrimidine-2-thione"	385060	"NSC675989; 5,7-dichloro-[1,3]dithiolo[4,5-d]pyrimidine-2-thione; 5,7-Dichloro[1,3]dithiolo[4,5-d]pyrimidine-2-thione; CHEMBL2005353; NSC-675989; NCI60_026833; 1,4-d]pyrimidine-2-thione, 5,7-dichloro-; 5,7-dichloro-1,3-dithiolo[4,5-d]pyrimidine-2-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675989	.	.	.	.	255.2	C5Cl2N2S3	109	215	3.9	12	0	5	0	InChI=1S/C5Cl2N2S3/c6-2-1-3(9-4(7)8-2)12-5(10)11-1	C12=C(N=C(N=C1Cl)Cl)SC(=S)S2	GYIKKMRDMPCYGT-UHFFFAOYSA-N
DG56350	"9-Methoxy-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one"	385068	"NSC675994; CHEMBL95827; 9-methoxypaullone; Paullone Analog 40; BDBM7301; SCHEMBL5688972; 9-methoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one; 9-Methoxy-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one; ZINC1645605; NSC 675994; NSC-675994; NCI60_026837; 7,12-Dihydro-9-methoxyindolo[3,2-d][1]benzazepine-6(5H)-one; 14-methoxy-8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675994	.	.	.	.	278.3	C17H14N2O2	54.1	414	2.5	21	2	2	1	"InChI=1S/C17H14N2O2/c1-21-10-6-7-15-12(8-10)13-9-16(20)18-14-5-3-2-4-11(14)17(13)19-15/h2-8,19H,9H2,1H3,(H,18,20)"	COC1=CC2=C(C=C1)NC3=C2CC(=O)NC4=CC=CC=C43	XOAKRYSSJJAKLL-UHFFFAOYSA-N
DG56351	"9-Methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one"	385069	"NSC675995; CHEMBL317964; 9-methylpaullone; Paullone Analog 14; BDBM7275; SCHEMBL5688227; 9-methyl-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one; 9-Methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one; ZINC1645606; NSC 675995; NSC-675995; NCI60_026838; 7,12-Dihydro-9-methylindolo[3,2-d][1]benzazepine-6(5H)-one; 14-methyl-8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675995	.	.	.	.	262.3	C17H14N2O	44.9	397	2.9	20	2	1	0	"InChI=1S/C17H14N2O/c1-10-6-7-15-12(8-10)13-9-16(20)18-14-5-3-2-4-11(14)17(13)19-15/h2-8,19H,9H2,1H3,(H,18,20)"	CC1=CC2=C(C=C1)NC3=C2CC(=O)NC4=CC=CC=C43	FDMHWATUIRUWOF-UHFFFAOYSA-N
DG56352	"9-Fluoro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one"	385070	"NSC675996; CHEMBL99037; 9-fluoropaullone; Paullone Analog 11; BDBM7272; SCHEMBL5688457; 9-fluoro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one; 9-Fluoro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one; ZINC1645607; NSC 675996; NSC-675996; NCI60_026839; 7,12-Dihydro-9-fluoroindolo[3,2-d][1]benzazepine-6(5H)-one; 14-fluoro-8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675996	.	.	.	.	266.27	C16H11FN2O	44.9	402	2.7	20	2	2	0	"InChI=1S/C16H11FN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)"	C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)F	NNDLCXNIMGREEF-UHFFFAOYSA-N
DG56353	2-(4-Chloroacetylaminophenyl)benzothiazole	385071	NSC676000; CHEMBL126900; SCHEMBL7110254; AKOS000813675; NSC-676000; 2-(4'-chloroacetamidophenyl)benzothiazole; NCI60_026840; 2-(4-Chloroacetylaminophenyl)benzothiazole; 2-[4-(Chloroacetylamino)phenyl]benzothiazole; N-(4-(benzo[d]thiazol-2-yl)phenyl)-2-chloroacetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676000	.	.	.	.	302.8	C15H11ClN2OS	70.2	347	4.1	20	1	3	3	"InChI=1S/C15H11ClN2OS/c16-9-14(19)17-11-7-5-10(6-8-11)15-18-12-3-1-2-4-13(12)20-15/h1-8H,9H2,(H,17,19)"	C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCl	VYBXOEFTXLCKFS-UHFFFAOYSA-N
DG56354	"N-(2-methoxyethyl)-N-(1-oxo-2,3,4,9-tetrahydrocarbazol-4-yl)benzamide"	385077	"NSC676006; CHEMBL1986227; N-(2-methoxyethyl)-N-(1-oxo-2,3,4,9-tetrahydrocarbazol-4-yl)benzamide; NSC-676006; NCI60_026845; N-(2-Methoxyethyl)-N-(1-oxo-2,3,4,9-tetrahydro-1H-carbazol-4-yl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676006	.	.	.	.	362.4	C22H22N2O3	62.4	546	3.1	27	1	3	5	"InChI=1S/C22H22N2O3/c1-27-14-13-24(22(26)15-7-3-2-4-8-15)18-11-12-19(25)21-20(18)16-9-5-6-10-17(16)23-21/h2-10,18,23H,11-14H2,1H3"	COCCN(C1CCC(=O)C2=C1C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4	JCHLODAJDLVHRV-UHFFFAOYSA-N
DG56355	"N-(2,2-dimethoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylacetamide"	385078	"NSC676007; CHEMBL1981775; NSC-676007; NCI60_026846; N-(2,2-dimethoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-yl-acetamide; n-acetyl-n-(2,2-dimethoxyethyl)-{2,3,4,9-tetrahydrospiro[1H-carbazole-1,2'-[1,3]dithiolane]-4-yl} amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676007	.	.	.	.	406.6	C20H26N2O3S2	105	539	2.6	27	1	5	5	"InChI=1S/C20H26N2O3S2/c1-13(23)22(12-17(24-2)25-3)16-8-9-20(26-10-11-27-20)19-18(16)14-6-4-5-7-15(14)21-19/h4-7,16-17,21H,8-12H2,1-3H3"	CC(=O)N(CC(OC)OC)C1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2	BUBJVDFCKSCMCQ-UHFFFAOYSA-N
DG56356	"N-(2,2-dimethoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylbenzamide"	385079	"NSC676008; CHEMBL1976664; NSC-676008; NCI60_026847; Benzamide, N-(2,2-dimethoxyethyl)-N-(2,3,4,9-tetrahydrospiro[1H-carbazole-1,2'-[1,3]dithiolan]-4-yl)-; N-(2,2-dimethoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-yl-benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676008	.	.	.	.	468.6	C25H28N2O3S2	105	649	4.3	32	1	5	6	"InChI=1S/C25H28N2O3S2/c1-29-21(30-2)16-27(24(28)17-8-4-3-5-9-17)20-12-13-25(31-14-15-32-25)23-22(20)18-10-6-7-11-19(18)26-23/h3-11,20-21,26H,12-16H2,1-2H3"	COC(CN(C1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2)C(=O)C5=CC=CC=C5)OC	ZGZRZHZYXTTWLH-UHFFFAOYSA-N
DG56357	"Chromeno[2,3-f]quinolin-7-one"	385093	"NSC676028; chromeno[2,3-f]quinolin-7-one; 7H-[1]Benzopyrano[2,3-f]quinolin-7-one; CHEMBL2000407; NSC-676028; NCI60_026858"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676028	.	.	.	.	247.25	C16H9NO2	39.2	370	3.2	19	0	3	0	InChI=1S/C16H9NO2/c18-15-11-4-1-2-6-14(11)19-16-10-5-3-9-17-13(10)8-7-12(15)16/h1-9H	C1=CC=C2C(=C1)C(=O)C3=C(O2)C4=C(C=C3)N=CC=C4	MDEPZIXJRCRRHW-UHFFFAOYSA-N
DG56358	"12-Methylchromeno[2,3-g]quinolin-11-one"	385094	"NSC676029; 12-methylchromeno[2,3-g]quinolin-11-one; CHEMBL2005479; 11H-[1]Benzopyrano[2,3-g]quinolin-11-one, 12-methyl-; ZINC6006920; NSC-676029; NCI60_026859"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676029	.	.	.	.	261.269	C17H11NO2	39.2	397	3.6	20	0	3	0	"InChI=1S/C17H11NO2/c1-10-15-14(9-11-5-4-8-18-16(10)11)20-13-7-3-2-6-12(13)17(15)19/h2-9H,1H3"	CC1=C2C(=CC3=C1C(=O)C4=CC=CC=C4O3)C=CC=N2	VEVKSNNOFYPOBX-UHFFFAOYSA-N
DG56359	"1,9-Bis(methoxymethyl)-3,7-dimethyl-1,2,3,4,6,7,8,9-octahydro-2,4,6,8-tetraoxopyrimido[5,4-g]pteridine 5-oxide"	385097	"NSC676032; CHEMBL1998883; NSC-676032; NCI60_026862; 1,9-Bis(methoxymethyl)-3,7-dimethyl-1,2,3,4,6,7,8,9-octahydro-2,4,6,8-tetraoxopyrimido[5,4-g]pteridine 5-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676032	.	.	.	.	380.31	C14H16N6O7	138	620	-2.2	27	0	8	4	"InChI=1S/C14H16N6O7/c1-16-11(21)7-9(18(5-26-3)13(16)23)15-10-8(20(7)25)12(22)17(2)14(24)19(10)6-27-4/h5-6H2,1-4H3"	CN1C(=O)C2=C(N=C3C(=[N+]2[O-])C(=O)N(C(=O)N3COC)C)N(C1=O)COC	QSCPXNCARHFRGF-UHFFFAOYSA-N
DG56360	"6-Bromo-5-chloroimidazo[1,2-a]pyrimidin-7(8H)-one"	385098	"NSC676033; 6-bromo-5-chloro-8H-imidazo[1,2-a]pyrimidin-7-one; 6-Bromo-5-chloroimidazo[1,2-a]pyrimidin-7(8H)-one; CHEMBL1970490; NSC-676033; NCI60_026863"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676033	.	.	.	.	248.46	C6H3BrClN3O	46.9	268	1.2	12	1	2	0	"InChI=1S/C6H3BrClN3O/c7-3-4(8)11-2-1-9-6(11)10-5(3)12/h1-2H,(H,9,10,12)"	C1=CN2C(=C(C(=O)NC2=N1)Br)Cl	BASYBNIOWOTQRE-UHFFFAOYSA-N
DG56361	"6-[2-(4-hydroxy-3-methoxyphenyl)ethylamino]-1H-benzimidazole-4,7-dione"	385175	NSC676179; CHEMBL1997673; NSC-676179; NCI60_026906	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676179	.	.	.	.	313.31	C16H15N3O4	104	508	2	23	3	6	5	"InChI=1S/C16H15N3O4/c1-23-13-6-9(2-3-11(13)20)4-5-17-10-7-12(21)14-15(16(10)22)19-8-18-14/h2-3,6-8,17,20H,4-5H2,1H3,(H,18,19)"	COC1=C(C=CC(=C1)CCNC2=CC(=O)C3=C(C2=O)NC=N3)O	FBNWFVACGUHNDN-UHFFFAOYSA-N
DG56362	"2-Naphthalen-1-yl-1H-[1,8]naphthyridin-4-one"	385176	"CHEMBL423845; NSC676180; 2-Naphthalen-1-yl-1H-[1,8]naphthyridin-4-one; SCHEMBL7925077; ZINC5647446; BDBM50059969; NSC-676180; NCI60_026907; 2-(1-Naphthyl)-1,8-naphthyridin-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676180	.	.	.	.	272.3	C18H12N2O	42	445	3.7	21	1	3	1	"InChI=1S/C18H12N2O/c21-17-11-16(20-18-15(17)9-4-10-19-18)14-8-3-6-12-5-1-2-7-13(12)14/h1-11H,(H,19,20,21)"	C1=CC=C2C(=C1)C=CC=C2C3=CC(=O)C4=C(N3)N=CC=C4	PPEYNRXCXSJVHV-UHFFFAOYSA-N
DG56363	"2-(1-Naphthyl)-5-methyl-1,8-naphthyridin-4(1H)-one"	385177	"CHEMBL51998; NSC676181; SCHEMBL7921856; ZINC5504159; BDBM50059972; NSC-676181; NCI60_026908; 2-(1-Naphthyl)-5-methyl-1,8-naphthyridin-4(1H)-one; 5-Methyl-2-naphthalen-1-yl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676181	.	.	.	.	286.3	C19H14N2O	42	472	4.1	22	1	3	1	"InChI=1S/C19H14N2O/c1-12-9-10-20-19-18(12)17(22)11-16(21-19)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H,20,21,22)"	CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC=CC4=CC=CC=C43	DAYKXJRPLWUPRH-UHFFFAOYSA-N
DG56364	"2-m-Tolyl-1H-[1,8]naphthyridin-4-one"	385181	"CHEMBL299979; NSC676185; 2-m-Tolyl-1H-[1,8]naphthyridin-4-one; 2-(3-methylphenyl)-1,8-naphthyridin-4(1h)-one; SCHEMBL7922307; ZINC5504118; BDBM50059970; NSC-676185; NCI60_026912"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676185	.	.	.	.	236.27	C15H12N2O	42	364	2.8	18	1	3	1	"InChI=1S/C15H12N2O/c1-10-4-2-5-11(8-10)13-9-14(18)12-6-3-7-16-15(12)17-13/h2-9H,1H3,(H,16,17,18)"	CC1=CC(=CC=C1)C2=CC(=O)C3=C(N2)N=CC=C3	IZFIIAGLKAXALT-UHFFFAOYSA-N
DG56365	"2-(3-Methylphenyl)-5-methyl-1,8-naphthyridin-4(1H)-one"	385182	"CHEMBL317272; NSC676186; SCHEMBL7920133; ZINC5504116; BDBM50471354; NSC-676186; NCI60_026913; 2-(3-Methylphenyl)-5-methyl-1,8-naphthyridin-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676186	.	.	.	.	250.29	C16H14N2O	42	390	3.2	19	1	3	1	"InChI=1S/C16H14N2O/c1-10-4-3-5-12(8-10)13-9-14(19)15-11(2)6-7-17-16(15)18-13/h3-9H,1-2H3,(H,17,18,19)"	CC1=CC(=CC=C1)C2=CC(=O)C3=C(C=CN=C3N2)C	ZLZNSSZWWMBAMD-UHFFFAOYSA-N
DG56366	"6-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one"	385183	"CHEMBL49016; NSC676187; 6-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one; SCHEMBL7921815; ZINC5504117; BDBM50059977; NSC-676187; NCI60_026914; 2-(3-Methylphenyl)-6-methyl-1,8-naphthyridin-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676187	.	.	.	.	250.29	C16H14N2O	42	390	3.2	19	1	3	1	"InChI=1S/C16H14N2O/c1-10-4-3-5-12(6-10)14-8-15(19)13-7-11(2)9-17-16(13)18-14/h3-9H,1-2H3,(H,17,18,19)"	CC1=CC(=CC=C1)C2=CC(=O)C3=C(N2)N=CC(=C3)C	KDLJOBRGZSEPQS-UHFFFAOYSA-N
DG56367	"2-(3-fluorophenyl)-6-methyl-1,8-naphthyridin-4(1H)-one"	385186	"NSC676190; CHEMBL48300; 2-(3-fluorophenyl)-6-methyl-1,8-naphthyridin-4(1H)-one; 194466-78-9; SCHEMBL7913619; DTXSID60327669; ZINC5503958; BDBM50059971; NSC-676190; NCI60_026917; 2-(3-Fluoro-phenyl)-6-methyl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676190	.	.	.	.	254.26	C15H11FN2O	42	396	2.9	19	1	4	1	"InChI=1S/C15H11FN2O/c1-9-5-12-14(19)7-13(18-15(12)17-8-9)10-3-2-4-11(16)6-10/h2-8H,1H3,(H,17,18,19)"	CC1=CC2=C(NC(=CC2=O)C3=CC(=CC=C3)F)N=C1	AMJPGRQDFBNSON-UHFFFAOYSA-N
DG56368	"2-(2-Methoxy-phenyl)-5-methyl-1H-[1,8]naphthyridin-4-one"	385189	"CHEMBL72723; NSC676193; SCHEMBL7920467; BDBM50059094; NSC-676193; NCI60_026920; 2-(2-Methoxy-phenyl)-5-methyl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676193	.	.	.	.	266.29	C16H14N2O2	51.2	407	2.8	20	1	4	2	"InChI=1S/C16H14N2O2/c1-10-7-8-17-16-15(10)13(19)9-12(18-16)11-5-3-4-6-14(11)20-2/h3-9H,1-2H3,(H,17,18,19)"	CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC=CC=C3OC	XIXVOSMVHPVEEW-UHFFFAOYSA-N
DG56369	(1-(((2-Amino-5-bromo-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol	385198	NSC676312; SCHEMBL8049077; CHEMBL1965340; (1-(((2-Amino-5-bromo-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol; NSC-676312; NCI60_026928; [1-[[(2-amino-5-bromo-pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol; 2-Amino-5-bromo-4-[[(1-hydroxymethyl-1-cyclobutyl)methyl]amino]pyrimidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676312	.	.	.	.	287.16	C10H15BrN4O	84.1	237	1.9	16	3	5	4	"InChI=1S/C10H15BrN4O/c11-7-4-13-9(12)15-8(7)14-5-10(6-16)2-1-3-10/h4,16H,1-3,5-6H2,(H3,12,13,14,15)"	C1CC(C1)(CNC2=NC(=NC=C2Br)N)CO	ZWYAOVQOEZSEGI-UHFFFAOYSA-N
DG56370	(1-(((2-Amino-5-chloro-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methanol	385199	NSC676313; CHEMBL1985492; NSC-676313; (1-(((2-Amino-5-chloro-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methanol; NCI60_026929; [1-[[(2-amino-5-chloro-pyrimidin-4-yl)amino]methyl]-3-phenethyl-cyclobutyl]methanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676313	.	.	.	.	346.9	C18H23ClN4O	84.1	385	4	24	3	5	7	"InChI=1S/C18H23ClN4O/c19-15-10-21-17(20)23-16(15)22-11-18(12-24)8-14(9-18)7-6-13-4-2-1-3-5-13/h1-5,10,14,24H,6-9,11-12H2,(H3,20,21,22,23)"	C1C(CC1(CNC2=NC(=NC=C2Cl)N)CO)CCC3=CC=CC=C3	HTJOWPAOCKGKIL-UHFFFAOYSA-N
DG56371	2-Amino-4-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-5-pyrimidinecarbonitrile	385200	NSC676314; SCHEMBL8049441; CHEMBL1982848; NSC-676314; 2-Amino-4-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-5-pyrimidinecarbonitrile; NCI60_026930; 2-amino-4-[[1-(hydroxymethyl)-3-phenethyl-cyclobutyl]methylamino]pyrimidine-5-carbonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676314	.	.	.	.	337.4	C19H23N5O	108	464	3.1	25	3	6	7	"InChI=1S/C19H23N5O/c20-10-16-11-22-18(21)24-17(16)23-12-19(13-25)8-15(9-19)7-6-14-4-2-1-3-5-14/h1-5,11,15,25H,6-9,12-13H2,(H3,21,22,23,24)"	C1C(CC1(CNC2=NC(=NC=C2C#N)N)CO)CCC3=CC=CC=C3	WBDGIJDTEFRZGO-UHFFFAOYSA-N
DG56372	(1-(((2-Amino-5-cyano-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methyl acetate	385201	NSC676315; SCHEMBL8050027; CHEMBL2000545; NSC-676315; (1-(((2-Amino-5-cyano-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methyl acetate; NCI60_026931; [1-[[(2-amino-5-cyano-pyrimidin-4-yl)amino]methyl]-3-phenethyl-cyclobutyl]methyl acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676315	.	.	.	.	379.5	C21H25N5O2	114	562	3.7	28	2	7	9	"InChI=1S/C21H25N5O2/c1-15(27)28-14-21(13-25-19-18(11-22)12-24-20(23)26-19)9-17(10-21)8-7-16-5-3-2-4-6-16/h2-6,12,17H,7-10,13-14H2,1H3,(H3,23,24,25,26)"	CC(=O)OCC1(CC(C1)CCC2=CC=CC=C2)CNC3=NC(=NC=C3C#N)N	OIYTUSWXTFVUAE-UHFFFAOYSA-N
DG56373	"Cyclobutanemethanol,5-diamino-6-pyrimidinyl)amino]methyl]-3-(2-phenylethyl)-, dihydrochloride"	385202	"NSC676316; CHEMBL1974646; NSC-676316; Cyclobutanemethanol,5-diamino-6-pyrimidinyl)amino]methyl]- 3-(2-phenylethyl)-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676316	.	.	.	.	363.9	C18H26ClN5O	110	382	.	25	5	6	7	"InChI=1S/C18H25N5O.ClH/c19-15-10-21-17(20)23-16(15)22-11-18(12-24)8-14(9-18)7-6-13-4-2-1-3-5-13;/h1-5,10,14,24H,6-9,11-12,19H2,(H3,20,21,22,23);1H"	C1C(CC1(CNC2=NC(=NC=C2N)N)CO)CCC3=CC=CC=C3.Cl	YHDGQEFQSOTBNS-UHFFFAOYSA-N
DG56374	2-Amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde	385204	NSC676317; CHEMBL1993779; 2-amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde; NSC-676317; 2-Amino-4-(((1-(hydroxymethyl)cyclobutyl)methyl)amino)-5-pyrimidinecarbaldehyde; NCI60_026933	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676317	.	.	.	.	236.27	C11H16N4O2	101	270	0.6	17	3	6	5	"InChI=1S/C11H16N4O2/c12-10-13-4-8(5-16)9(15-10)14-6-11(7-17)2-1-3-11/h4-5,17H,1-3,6-7H2,(H3,12,13,14,15)"	C1CC(C1)(CNC2=NC(=NC=C2C=O)N)CO	PGIGEODLWGCJKC-UHFFFAOYSA-N
DG56375	"2-Amino-4-chloro-6-((3-hydroxy-2,2-dimethylpropyl)amino)-5-pyrimidinecarbaldehyde"	385210	"NSC676323; CHEMBL1989664; ZINC1645717; NSC-676323; 2-Amino-4-chloro-6-((3-hydroxy-2,2-dimethylpropyl)amino)-5-pyrimidinecarbaldehyde; NCI60_026939; 2-amino-4-chloro-6-[(3-hydroxy-2,2-dimethyl-propyl)amino]pyrimidine-5-carbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676323	.	.	.	.	258.7	C10H15ClN4O2	101	265	1.7	17	3	6	5	"InChI=1S/C10H15ClN4O2/c1-10(2,5-17)4-13-8-6(3-16)7(11)14-9(12)15-8/h3,17H,4-5H2,1-2H3,(H3,12,13,14,15)"	CC(C)(CNC1=C(C(=NC(=N1)N)Cl)C=O)CO	NARYPTCODVBNJC-UHFFFAOYSA-N
DG56376	"6-Chloro-N~4~-((3-methylenecyclobutyl)methyl)-2,4-pyrimidinediamine"	385218	"NSC676331; SCHEMBL8038697; CHEMBL1966878; NSC-676331; NCI60_026947; 6-chloro-N4-[(3-methylenecyclobutyl)methyl]pyrimidine-2,4-diamine; 6-Chloro-N~4~-((3-methylenecyclobutyl)methyl)-2,4-pyrimidinediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676331	.	.	.	.	224.69	C10H13ClN4	63.8	238	2.2	15	2	4	3	"InChI=1S/C10H13ClN4/c1-6-2-7(3-6)5-13-9-4-8(11)14-10(12)15-9/h4,7H,1-3,5H2,(H3,12,13,14,15)"	C=C1CC(C1)CNC2=CC(=NC(=N2)N)Cl	RBQFDJGWIRFXIN-UHFFFAOYSA-N
DG56377	"1-(((2-Amino-5,6-dichloro-4-pyrimidinyl)amino)methyl)cyclobutanol"	385221	"NSC676334; CHEMBL1969621; 1-(((2-Amino-5,6-dichloro-4-pyrimidinyl)amino)methyl)cyclobutanol; NSC-676334; NCI60_026950; 1-[[(2-amino-5,6-dichloro-pyrimidin-4-yl)amino]methyl]cyclobutanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676334	.	.	.	.	263.12	C9H12Cl2N4O	84.1	252	1.8	16	3	5	3	"InChI=1S/C9H12Cl2N4O/c10-5-6(11)14-8(12)15-7(5)13-4-9(16)2-1-3-9/h16H,1-4H2,(H3,12,13,14,15)"	C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)Cl)O	WDHIUEKWKZWEJB-UHFFFAOYSA-N
DG56378	(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(benzyloxy)cyclobutyl)methanol	385227	NSC676340; SCHEMBL8056213; CHEMBL1996618; NSC-676340; (1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(benzyloxy)cyclobutyl)methanol; NCI60_026956; [1-[[(2-amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-benzyloxy-cyclobutyl]methanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676340	.	.	.	.	348.8	C17H21ClN4O2	93.3	389	3	24	3	6	7	"InChI=1S/C17H21ClN4O2/c18-14-6-15(22-16(19)21-14)20-10-17(11-23)7-13(8-17)24-9-12-4-2-1-3-5-12/h1-6,13,23H,7-11H2,(H3,19,20,21,22)"	C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)CO)OCC3=CC=CC=C3	KKVGFCKNSJPYNG-UHFFFAOYSA-N
DG56379	(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-isopropylcyclobutyl)methanol	385230	NSC676343; CHEMBL2004337; NSC-676343; (1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-isopropylcyclobutyl)methanol; NCI60_026959; [1-[[(2-amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-isopropyl-cyclobutyl]methanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676343	.	.	.	.	284.78	C13H21ClN4O	84.1	296	3.2	19	3	5	5	"InChI=1S/C13H21ClN4O/c1-8(2)9-4-13(5-9,7-19)6-16-11-3-10(14)17-12(15)18-11/h3,8-9,19H,4-7H2,1-2H3,(H3,15,16,17,18)"	CC(C)C1CC(C1)(CNC2=CC(=NC(=N2)N)Cl)CO	AXPSLTILUXOOEE-UHFFFAOYSA-N
DG56380	(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-benzylcyclobutyl)methanol	385231	NSC676344; CHEMBL1998163; NSC-676344; (1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-benzylcyclobutyl)methanol; NCI60_026960; [1-[[(2-amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-benzyl-cyclobutyl]methanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676344	.	.	.	.	332.8	C17H21ClN4O	84.1	372	3.8	23	3	5	6	"InChI=1S/C17H21ClN4O/c18-14-7-15(22-16(19)21-14)20-10-17(11-23)8-13(9-17)6-12-4-2-1-3-5-12/h1-5,7,13,23H,6,8-11H2,(H3,19,20,21,22)"	C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)CO)CC3=CC=CC=C3	NTDUGCCSGYVSPG-UHFFFAOYSA-N
DG56381	"Cyclobutanemethanol, 1-[(2-amino-6-chloro-4-pyrimidinyl)aminomethyl]-3-(2-phenylethyl)-"	385232	"NSC676345; CHEMBL1979390; MN-4202; NSC-676345; Cyclobutanemethanol, 1-[(2-amino-6-chloro-4-pyrimidinyl)aminomethyl]-3-(2-phenylethyl)-; NCI60_026961; (1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methanol; [1-[[(2-amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-phenethyl-cyclobutyl]methanol; Cyclobutanemethanol, {1-[(2-amino-6-chloro-4-pyrimidinyl)aminomethyl]-3-(2-phenylethyl)-}; Pyrimidine-2, 6-chloro-N(4)- [[1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl]methyl]-; Pyrimidine-2,4-diamine, 6-chloro-N(4)- {[[1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl]methyl]-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676345	.	.	.	.	346.9	C18H23ClN4O	84.1	385	4.4	24	3	5	7	"InChI=1S/C18H23ClN4O/c19-15-8-16(23-17(20)22-15)21-11-18(12-24)9-14(10-18)7-6-13-4-2-1-3-5-13/h1-5,8,14,24H,6-7,9-12H2,(H3,20,21,22,23)"	C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)CO)CCC3=CC=CC=C3	DEGVLBSOWCMLRE-UHFFFAOYSA-N
DG56382	(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(3-phenylpropyl)cyclobutyl)methanol	385233	"NSC676346; CHEMBL1992750; NSC-676346; (1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(3-phenylpropyl)cyclobutyl)methanol; NCI60_026962; [1-[[(2-amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-(3-phenylpropyl)cyclobutyl]methanol; Cyclobutanemethanol, 1-[[(2-amino-4-chloro-6-pyrimidinyl)amino]methyl]- 3-(3-phenylpropyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676346	.	.	.	.	360.9	C19H25ClN4O	84.1	399	4.9	25	3	5	8	"InChI=1S/C19H25ClN4O/c20-16-9-17(24-18(21)23-16)22-12-19(13-25)10-15(11-19)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9,15,25H,4,7-8,10-13H2,(H3,21,22,23,24)"	C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)CO)CCCC3=CC=CC=C3	QTBFZRZEWHBMHT-UHFFFAOYSA-N
DG56383	1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)ethanol	385234	NSC676347; CHEMBL2007241; NSC-676347; 1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)ethanol; NCI60_026963; 1-[1-[[(2-amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-phenethyl-cyclobutyl]ethanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676347	.	.	.	.	360.9	C19H25ClN4O	84.1	412	4.8	25	3	5	7	"InChI=1S/C19H25ClN4O/c1-13(25)19(12-22-17-9-16(20)23-18(21)24-17)10-15(11-19)8-7-14-5-3-2-4-6-14/h2-6,9,13,15,25H,7-8,10-12H2,1H3,(H3,21,22,23,24)"	CC(C1(CC(C1)CCC2=CC=CC=C2)CNC3=CC(=NC(=N3)N)Cl)O	GOUZDMVNRVLFRO-UHFFFAOYSA-N
DG56384	(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-phenylcyclobutyl)methanol	385235	NSC676348; CHEMBL1976015; NSC-676348; (1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-phenylcyclobutyl)methanol; NCI60_026964; [1-[[(2-amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-phenyl-cyclobutyl]methanol; 1-[(2-Amino-6-chloropyrimidine-4-yl)aminomethyl]-3-phenylcyclobutane-1-methanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676348	.	.	.	.	318.8	C16H19ClN4O	84.1	358	3.4	22	3	5	5	"InChI=1S/C16H19ClN4O/c17-13-6-14(21-15(18)20-13)19-9-16(10-22)7-12(8-16)11-4-2-1-3-5-11/h1-6,12,22H,7-10H2,(H3,18,19,20,21)"	C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)CO)C3=CC=CC=C3	GCEPYXIYONHYEE-UHFFFAOYSA-N
DG56385	(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(benzyloxy)cyclopentyl)methanol	385240	NSC676353; CHEMBL2003115; NSC-676353; (1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(benzyloxy)cyclopentyl)methanol; NCI60_026969; [1-[[(2-amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-benzyloxy-cyclopentyl]methanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676353	.	.	.	.	362.9	C18H23ClN4O2	93.3	411	3.4	25	3	6	7	"InChI=1S/C18H23ClN4O2/c19-15-8-16(23-17(20)22-15)21-11-18(12-24)7-6-14(9-18)25-10-13-4-2-1-3-5-13/h1-5,8,14,24H,6-7,9-12H2,(H3,20,21,22,23)"	C1CC(CC1OCC2=CC=CC=C2)(CNC3=CC(=NC(=N3)N)Cl)CO	AXDQWOUUBIAQQJ-UHFFFAOYSA-N
DG56386	(1-(2-((2-Amino-6-chloro-4-pyrimidinyl)amino)ethyl)cyclobutyl)methanol	385243	NSC676356; CHEMBL2002594; (1-(2-((2-Amino-6-chloro-4-pyrimidinyl)amino)ethyl)cyclobutyl)methanol; NSC-676356; NCI60_026972; [1-[2-[(2-amino-6-chloro-pyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676356	.	.	.	.	256.73	C11H17ClN4O	84.1	250	2	17	3	5	5	"InChI=1S/C11H17ClN4O/c12-8-6-9(16-10(13)15-8)14-5-4-11(7-17)2-1-3-11/h6,17H,1-5,7H2,(H3,13,14,15,16)"	C1CC(C1)(CCNC2=CC(=NC(=N2)N)Cl)CO	ALKAJXGAAROLOG-UHFFFAOYSA-N
DG56387	"(3-(Benzyloxy)-1-(((2,5-diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol"	385247	"NSC676360; SCHEMBL8053267; CHEMBL1985599; NSC-676360; (3-(Benzyloxy)-1-(((2,5-diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol; NCI60_026976; [3-benzyloxy-1-[[(2,5-diamino-6-chloro-pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676360	.	.	.	.	363.8	C17H22ClN5O2	119	418	2.3	25	4	7	7	"InChI=1S/C17H22ClN5O2/c18-14-13(19)15(23-16(20)22-14)21-9-17(10-24)6-12(7-17)25-8-11-4-2-1-3-5-11/h1-5,12,24H,6-10,19H2,(H3,20,21,22,23)"	C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)N)CO)OCC3=CC=CC=C3	GLTYIOHVCFVXNA-UHFFFAOYSA-N
DG56388	"(3-Benzyl-1-(((2,5-diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol"	385250	"NSC676362; CHEMBL2009311; (3-Benzyl-1-(((2,5-diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol; NCI60_026978; [3-benzyl-1-[[(2,5-diamino-6-chloro-pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676362	.	.	.	.	347.8	C17H22ClN5O	110	400	3.1	24	4	6	6	"InChI=1S/C17H22ClN5O/c18-14-13(19)15(23-16(20)22-14)21-9-17(10-24)7-12(8-17)6-11-4-2-1-3-5-11/h1-5,12,24H,6-10,19H2,(H3,20,21,22,23)"	C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)N)CO)CC3=CC=CC=C3	SYQKBMYALNWEIH-UHFFFAOYSA-N
DG56389	"(1-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methanol"	385252	"NSC676363; MLS002702813; SCHEMBL8056104; CHEMBL1712217; CHEMBL2009500; ZINC1485737; NF-1147; (1-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methanol; NCI60_026979; NCI60_040785; NCI60_040786; SMR001566642; [1-[[(2,5-diamino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-phenethyl-cyclobutyl]methanol; Cyclobutanemethanol, 1-[[(2,5-diamino-4-chloro-6-pyrimidinyl)amino]methyl]- 3-(2-phenylethyl)-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676363	.	.	.	.	361.9	C18H24ClN5O	110	414	3.7	25	4	6	7	"InChI=1S/C18H24ClN5O/c19-15-14(20)16(24-17(21)23-15)22-10-18(11-25)8-13(9-18)7-6-12-4-2-1-3-5-12/h1-5,13,25H,6-11,20H2,(H3,21,22,23,24)"	C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)N)CO)CCC3=CC=CC=C3	ZJPSPMADHAHMLP-UHFFFAOYSA-N
DG56390	"(1-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)methanol"	385253	"NSC676364; CHEMBL1996582; (1-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)methanol; NSC-676364; NCI60_026980; [1-[[(2,5-diamino-6-chloro-pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676364	.	.	.	.	271.75	C11H18ClN5O	110	274	2	18	4	6	4	"InChI=1S/C11H18ClN5O/c12-8-7(13)9(17-10(14)16-8)15-5-11(6-18)3-1-2-4-11/h18H,1-6,13H2,(H3,14,15,16,17)"	C1CCC(C1)(CNC2=C(C(=NC(=N2)N)Cl)N)CO	WBFFONKDNAWDEI-UHFFFAOYSA-N
DG56391	"(3-(Benzyloxy)-1-(((2,5-diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)methanol"	385254	"NSC676365; CHEMBL1971005; NSC-676365; (3-(Benzyloxy)-1-(((2,5-diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)methanol; NCI60_026981; [3-benzyloxy-1-[[(2,5-diamino-6-chloro-pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676365	.	.	.	.	377.9	C18H24ClN5O2	119	440	2.7	26	4	7	7	"InChI=1S/C18H24ClN5O2/c19-15-14(20)16(24-17(21)23-15)22-10-18(11-25)7-6-13(8-18)26-9-12-4-2-1-3-5-12/h1-5,13,25H,6-11,20H2,(H3,21,22,23,24)"	C1CC(CC1OCC2=CC=CC=C2)(CNC3=C(C(=NC(=N3)N)Cl)N)CO	XOWUNSSKRQVANA-UHFFFAOYSA-N
DG56392	2-Amino-4-chloro-6-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde	385255	NSC676366; SCHEMBL8048887; CHEMBL1968010; ZINC1645764; NSC-676366; 2-Amino-4-chloro-6-(((1-(hydroxymethyl)cyclobutyl)methyl)amino)-5-pyrimidinecarbaldehyde; 2-amino-4-chloro-6-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde; NCI60_026982	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676366	.	.	.	.	270.71	C11H15ClN4O2	101	301	1.6	18	3	6	5	"InChI=1S/C11H15ClN4O2/c12-8-7(4-17)9(16-10(13)15-8)14-5-11(6-18)2-1-3-11/h4,18H,1-3,5-6H2,(H3,13,14,15,16)"	C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)C=O)CO	VSTJAAPHHYLWBD-UHFFFAOYSA-N
DG56393	"2-Amino-4-chloro-6-(((1-(hydroxymethyl)-3,3-dimethoxycyclobutyl)methyl)amino)-5-pyrimidinecarbaldehyde"	385256	"NSC676367; CHEMBL1977169; NSC-676367; 2-Amino-4-chloro-6-(((1-(hydroxymethyl)-3,3-dimethoxycyclobutyl)methyl)amino)-5-pyrimidinecarbaldehyde; NCI60_026983; 2-amino-4-chloro-6-[[1-(hydroxymethyl)-3,3-dimethoxy-cyclobutyl]methylamino]pyrimidine-5-carbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676367	.	.	.	.	330.77	C13H19ClN4O4	120	388	0.8	22	3	8	7	"InChI=1S/C13H19ClN4O4/c1-21-13(22-2)4-12(5-13,7-20)6-16-10-8(3-19)9(14)17-11(15)18-10/h3,20H,4-7H2,1-2H3,(H3,15,16,17,18)"	COC1(CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)C=O)CO)OC	GIAPDRJZWMCXDY-UHFFFAOYSA-N
DG56394	2-Amino-4-chloro-6-(((1-(hydroxymethyl)-3-isopropylcyclobutyl)methyl)amino)-5-pyrimidinecarbaldehyde	385257	"NSC676368; CHEMBL1994230; NSC-676368; 2-Amino-4-chloro-6-(((1-(hydroxymethyl)-3-isopropylcyclobutyl)methyl)amino)-5-pyrimidinecarbaldehyde; NCI60_026984; 2-amino-4-chloro-6-[[1-(hydroxymethyl)-3-isopropyl-cyclobutyl]methylamino]pyrimidine-5-carbaldehyde; 5-Pyrimidinecarboxaldehyde, 2-amino-4-chloro- 6-[[[1-(hydroxymethyl)-3-(1-methylethyl)- 1-cyclobutyl]methyl]amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676368	.	.	.	.	312.79	C14H21ClN4O2	101	363	2.7	21	3	6	6	"InChI=1S/C14H21ClN4O2/c1-8(2)9-3-14(4-9,7-21)6-17-12-10(5-20)11(15)18-13(16)19-12/h5,8-9,21H,3-4,6-7H2,1-2H3,(H3,16,17,18,19)"	CC(C)C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)C=O)CO	GITWOURAALWBOL-UHFFFAOYSA-N
DG56395	2-Amino-4-chloro-6-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-5-pyrimidinecarbaldehyde	385258	"NSC676369; SCHEMBL8050986; CHEMBL1991114; ZINC1645767; NSC-676369; 2-Amino-4-chloro-6-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-5-pyrimidinecarbaldehyde; NCI60_026985; 2-amino-4-chloro-6-[[1-(hydroxymethyl)-3-phenethyl-cyclobutyl]methylamino]pyrimidine-5-carbaldehyde; 5-Pyrimidinecarboxaldehyde, 2-amino-4-chloro- 6-[[1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl] methylamino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676369	.	.	.	.	374.9	C19H23ClN4O2	101	455	3.8	26	3	6	8	"InChI=1S/C19H23ClN4O2/c20-16-15(10-25)17(24-18(21)23-16)22-11-19(12-26)8-14(9-19)7-6-13-4-2-1-3-5-13/h1-5,10,14,26H,6-9,11-12H2,(H3,21,22,23,24)"	C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)C=O)CO)CCC3=CC=CC=C3	KHYIYHSQSYBJBJ-UHFFFAOYSA-N
DG56396	(1-(((2-Amino-6-chloro-5-(hydroxymethyl)-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methanol	385260	NSC676371; CHEMBL1995623; NSC-676371; (1-(((2-Amino-6-chloro-5-(hydroxymethyl)-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methanol; NCI60_026987; [2-amino-4-chloro-6-[[1-(hydroxymethyl)-3-phenethyl-cyclobutyl]methylamino]pyrimidin-5-yl]methanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676371	.	.	.	.	376.9	C19H25ClN4O2	104	430	3.5	26	4	6	8	"InChI=1S/C19H25ClN4O2/c20-16-15(10-25)17(24-18(21)23-16)22-11-19(12-26)8-14(9-19)7-6-13-4-2-1-3-5-13/h1-5,14,25-26H,6-12H2,(H3,21,22,23,24)"	C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)CO)CO)CCC3=CC=CC=C3	BFEICJMVGSKDHP-UHFFFAOYSA-N
DG56397	(1-(((2-Amino-6-chloro-5-((4-chlorophenyl)diazenyl)-4-pyrimidinyl)amino)methyl)cyclopropyl)methanol	385282	NSC676393; ZINC17258632; ZINC104313234; NSC-676393; (1-(((2-Amino-6-chloro-5-((4-chlorophenyl)diazenyl)-4-pyrimidinyl)amino)methyl)cyclopropyl)methanol; NCI60_027009; [1-[[[2-amino-6-chloro-5-[(E)-(4-chlorophenyl)azo]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676393	.	.	.	.	367.2	C15H16Cl2N6O	109	442	4	24	3	7	6	"InChI=1S/C15H16Cl2N6O/c16-9-1-3-10(4-2-9)22-23-11-12(17)20-14(18)21-13(11)19-7-15(8-24)5-6-15/h1-4,24H,5-8H2,(H3,18,19,20,21)"	C1CC1(CNC2=C(C(=NC(=N2)N)Cl)N=NC3=CC=C(C=C3)Cl)CO	ZDIKAPGPFSZXOG-UHFFFAOYSA-N
DG56398	(1-(((2-Amino-6-chloro-5-((4-chlorophenyl)diazenyl)-4-pyrimidinyl)amino)methyl)-3-(benzyloxy)cyclobutyl)methanol	385284	"NSC676395; NCIChal_000032; SCHEMBL8049090; CHEMBL3391704; NSC684909; NSC684910; NSC-676395; NSC-684909; NSC-684910; (1-(((2-Amino-6-chloro-5-((4-chlorophenyl)diazenyl)-4-pyrimidinyl)amino)methyl)-3-(benzyloxy)cyclobutyl)methanol; NCI60_027011; NCI60_030542; NCI60_030543; [1-[[[2-amino-6-chloro-5-[(E)-(4-chlorophenyl)azo]pyrimidin-4-yl]amino]methyl]-3-benzyloxy-cyclobutyl]methanol; 2, 4-chloro-5-[(4-chlorophenyl)azo]- N(6)-[[1-(hydroxymethyl)-3-(phenylmethoxy)cyclobutyl] methyl]-, (Isomer A)-, stereoisomer of NSC-684910; 2, 4-chloro-5-[(4-chlorophenyl)azo]- N(6)-[[1-(hydroxymethyl)-3-(phenylmethoxy)cyclobutyl] methyl]-, (Isomer B)-, stereoisomer of NSC-684909; Cyclobutanemethanol, 1-[[(2-amino-4-chloro-5-[(4-chlorophenyl)azo]- 6-pyrimidinyl)amino]methyl]-3-(3-phenylmethoxy)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676395	.	.	.	.	487.4	C23H24Cl2N6O2	118	624	5.4	33	3	8	9	"InChI=1S/C23H24Cl2N6O2/c24-16-6-8-17(9-7-16)30-31-19-20(25)28-22(26)29-21(19)27-13-23(14-32)10-18(11-23)33-12-15-4-2-1-3-5-15/h1-9,18,32H,10-14H2,(H3,26,27,28,29)"	C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)N=NC3=CC=C(C=C3)Cl)CO)OCC4=CC=CC=C4	DDTJXELLKSUNLX-UHFFFAOYSA-N
DG56399	Diethyl 4-((2-amino-6-chloro-5-((4-chlorophenyl)diazenyl)-4-pyrimidinyl)amino)-3-hydroxybutylphosphonate	385294	NSC676406; CHEMBL1981310; NSC-676406; Diethyl 4-((2-amino-6-chloro-5-((4-chlorophenyl)diazenyl)-4-pyrimidinyl)amino)-3-hydroxybutylphosphonate; NCI60_027021; 1-[[2-amino-6-chloro-5-[(E)-(4-chlorophenyl)azo]pyrimidin-4-yl]amino]-4-diethoxyphosphoryl-butan-2-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676406	.	.	.	.	491.3	C18H25Cl2N6O4P	144	589	3.3	31	3	10	12	"InChI=1S/C18H25Cl2N6O4P/c1-3-29-31(28,30-4-2)10-9-14(27)11-22-17-15(16(20)23-18(21)24-17)26-25-13-7-5-12(19)6-8-13/h5-8,14,27H,3-4,9-11H2,1-2H3,(H3,21,22,23,24)"	CCOP(=O)(CCC(CNC1=C(C(=NC(=N1)N)Cl)N=NC2=CC=C(C=C2)Cl)O)OCC	BXUBMHUCWWGWKS-UHFFFAOYSA-N
DG56400	"[6-(aziridin-1-yl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] N-pentylcarbamate"	385307	NSC676423; CHEMBL1970614; NSC-676423; NCI60_027033	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676423	.	.	.	.	372.4	C19H24N4O4	93.3	687	2.1	27	1	6	7	"InChI=1S/C19H24N4O4/c1-3-4-5-7-20-19(26)27-12-6-8-23-15-13(21-18(12)23)17(25)14(22-9-10-22)11(2)16(15)24/h12H,3-10H2,1-2H3,(H,20,26)"	CCCCCNC(=O)OC1CCN2C1=NC3=C2C(=O)C(=C(C3=O)N4CC4)C	MCFOFZBDWSOEAS-UHFFFAOYSA-N
DG56401	"2,8-Bis(chloromethyl)-5,10-dimethoxy-3,7-dimethylpyrimido[5,4-g]quinazoline-4,6-dione"	385308	NSC676424; CHEMBL423590; NSC-676424; NCI60_027034	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676424	.	.	.	.	399.2	C16H16Cl2N4O4	83.8	619	1	26	0	6	4	"InChI=1S/C16H16Cl2N4O4/c1-21-7(5-17)19-11-9(15(21)23)13(25-3)10-12(14(11)26-4)20-8(6-18)22(2)16(10)24/h5-6H2,1-4H3"	CN1C(=NC2=C(C1=O)C(=C3C(=C2OC)N=C(N(C3=O)C)CCl)OC)CCl	VKSJJUUHXCNOMO-UHFFFAOYSA-N
DG56402	"(3R)-3-Acetoxy-6-(acetylamino)-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione"	385309	"NSC676425; CHEMBL19806; NSC-676425; NCI60_027035; (3R)-3-Acetoxy-6-(acetylamino)-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676425	.	.	.	.	317.3	C15H15N3O5	107	641	-0.2	23	1	6	3	"InChI=1S/C15H15N3O5/c1-6-10(16-7(2)19)14(22)11-12(13(6)21)18-5-4-9(15(18)17-11)23-8(3)20/h9H,4-5H2,1-3H3,(H,16,19)/t9-/m1/s1"	CC1=C(C(=O)C2=C(C1=O)N3CC[C@H](C3=N2)OC(=O)C)NC(=O)C	BKCMRHQLNZNMFR-SECBINFHSA-N
DG56403	"Naphthalene-2-methanamine,N'-(1,6-hexanediyl)bis[6-methoxy-, hydrochloride"	385310	"NSC-676426; NSC676426; CHEMBL1985686; Naphthalene-2-methanamine,N'-(1,6-hexanediyl)bis[6-methoxy-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676426	.	.	.	.	493.1	C30H37ClN2O2	42.5	510	.	35	3	4	13	"InChI=1S/C30H36N2O2.ClH/c1-33-29-13-11-25-17-23(7-9-27(25)19-29)21-31-15-5-3-4-6-16-32-22-24-8-10-28-20-30(34-2)14-12-26(28)18-24;/h7-14,17-20,31-32H,3-6,15-16,21-22H2,1-2H3;1H"	COC1=CC2=C(C=C1)C=C(C=C2)CNCCCCCCNCC3=CC4=C(C=C3)C=C(C=C4)OC.Cl	DZSSFRNBJPPXSJ-UHFFFAOYSA-N
DG56404	"N,N'-bis[(6-methoxynaphthalen-2-yl)methyl]octane-1,8-diamine"	385312	NSC-676427; NSC676427; CHEMBL459314; ZINC6007047; NCI60_027037	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676427	.	.	.	.	484.7	C32H40N2O2	42.5	537	7.3	36	2	4	15	"InChI=1S/C32H40N2O2/c1-35-31-15-13-27-19-25(9-11-29(27)21-31)23-33-17-7-5-3-4-6-8-18-34-24-26-10-12-30-22-32(36-2)16-14-28(30)20-26/h9-16,19-22,33-34H,3-8,17-18,23-24H2,1-2H3"	COC1=CC2=C(C=C1)C=C(C=C2)CNCCCCCCCCNCC3=CC4=C(C=C3)C=C(C=C4)OC	CQYQMNUUDDGFPQ-UHFFFAOYSA-N
DG56405	"N,N'-bis[(6-methoxynaphthalen-2-yl)methyl]dodecane-1,12-diamine"	385313	NSC-676428; NSC676428; CHEMBL468675; NCI60_027038	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676428	.	.	.	.	540.8	C36H48N2O2	42.5	590	9.5	40	2	4	19	"InChI=1S/C36H48N2O2/c1-39-35-19-17-31-23-29(13-15-33(31)25-35)27-37-21-11-9-7-5-3-4-6-8-10-12-22-38-28-30-14-16-34-26-36(40-2)20-18-32(34)24-30/h13-20,23-26,37-38H,3-12,21-22,27-28H2,1-2H3"	COC1=CC2=C(C=C1)C=C(C=C2)CNCCCCCCCCCCCCNCC3=CC4=C(C=C3)C=C(C=C4)OC	ZNDGZRDNIFCTTD-UHFFFAOYSA-N
DG56406	NSC676429	385314	N-[(6-methoxynaphthalen-2-yl)methyl]-3-[4-[3-[(6-methoxynaphthalen-2-yl)methylamino]propyl]piperazin-1-yl]propan-1-amine;hydrochloride; NSC-676429; NSC676429; CHEMBL1991799	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676429	.	.	.	.	577.2	C34H45ClN4O2	49	643	.	41	3	6	14	"InChI=1S/C34H44N4O2.ClH/c1-39-33-11-9-29-21-27(5-7-31(29)23-33)25-35-13-3-15-37-17-19-38(20-18-37)16-4-14-36-26-28-6-8-32-24-34(40-2)12-10-30(32)22-28;/h5-12,21-24,35-36H,3-4,13-20,25-26H2,1-2H3;1H"	COC1=CC2=C(C=C1)C=C(C=C2)CNCCCN3CCN(CC3)CCCNCC4=CC5=C(C=C4)C=C(C=C5)OC.Cl	CGVYVHAEOBBIDS-UHFFFAOYSA-N
DG56407	"5-(((tert-Butyl(dimethyl)silyl)oxy)(3,4-dimethoxy-2-(methoxymethoxy)phenyl)methyl)-1-methyl-2-(phenylthio)-1H-imidazole"	385322	"NSC676439; CHEMBL2000830; NSC-676439; 5-(((tert-Butyl(dimethyl)silyl)oxy)(3,4-dimethoxy-2-(methoxymethoxy)phenyl)methyl)-1-methyl-2-(phenylthio)-1H-imidazole; NCI60_027046; tert-butyl-[[3,4-dimethoxy-2-(methoxymethoxy)phenyl]-(3-methyl-2-phenylsulfanyl-imidazol-4-yl)methoxy]-dimethyl-silane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676439	.	.	.	.	530.8	C27H38N2O5SSi	89.3	661	.	36	0	7	12	"InChI=1S/C27H38N2O5SSi/c1-27(2,3)36(8,9)34-23(20-15-16-22(31-6)25(32-7)24(20)33-18-30-5)21-17-28-26(29(21)4)35-19-13-11-10-12-14-19/h10-17,23H,18H2,1-9H3"	CC(C)(C)[Si](C)(C)OC(C1=C(C(=C(C=C1)OC)OC)OCOC)C2=CN=C(N2C)SC3=CC=CC=C3	UNLPTGJLOQDTPF-UHFFFAOYSA-N
DG56408	"7-anilino-2,5-diimino-3-[(E)-phenylazo]-1,4-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile"	385326	"NSC676443; CHEMBL1971834; ZINC16958773; NSC-676443; NCI60_027050; 7-Anilino-2,5-diimino-3-(phenyldiazenyl)-1,2,4,5-tetrahydropyrazolo[1,5-a]pyrimidine-6-carbonitrile; 7-anilino-2,5-diimino-3-[(E)-phenylazo]-1,4-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676443	.	.	.	.	369.4	C19H15N9	143	590	3.6	28	3	8	4	"InChI=1S/C19H15N9/c20-11-14-16(21)24-19-15(26-25-13-9-5-2-6-10-13)17(22)27-28(19)18(14)23-12-7-3-1-4-8-12/h1-10,23H,(H2,21,24)(H2,22,27)"	C1=CC=C(C=C1)NC2=C(C(=NC3=C(C(=NN32)N)N=NC4=CC=CC=C4)N)C#N	HXZORFDKKMYCHG-UHFFFAOYSA-N
DG56409	Benzyl 3-(5-(benzyloxy)-2-pyridinyl)-2-((trifluoroacetyl)amino)propanoate	385342	"NSC676460; CHEMBL1998210; Benzyl 3-(5-(benzyloxy)-2-pyridinyl)-2-((trifluoroacetyl)amino)propanoate; NSC-676460; NCI60_027067; benzyl 3-(5-benzyloxy-2-pyridyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676460	.	.	.	.	458.4	C24H21F3N2O4	77.5	619	4.5	33	1	8	10	"InChI=1S/C24H21F3N2O4/c25-24(26,27)23(31)29-21(22(30)33-16-18-9-5-2-6-10-18)13-19-11-12-20(14-28-19)32-15-17-7-3-1-4-8-17/h1-12,14,21H,13,15-16H2,(H,29,31)"	C1=CC=C(C=C1)COC2=CN=C(C=C2)CC(C(=O)OCC3=CC=CC=C3)NC(=O)C(F)(F)F	KFUBHBIVZQKSHE-UHFFFAOYSA-N
DG56410	1-[(t-Butyloxy)carbonyl]-3-(chloromethyl)-6-hydroxy-indoline	385366	NSC676516; CHEMBL1967810; NSC-676516; NCI60_027082; 1-[(t-Butyloxy)carbonyl]-3-(chloromethyl)-6-hydroxy-indoline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676516	.	.	.	.	283.75	C14H18ClNO3	49.8	342	2.7	19	1	3	3	"InChI=1S/C14H18ClNO3/c1-14(2,3)19-13(18)16-8-9(7-15)11-5-4-10(17)6-12(11)16/h4-6,9,17H,7-8H2,1-3H3"	CC(C)(C)OC(=O)N1CC(C2=C1C=C(C=C2)O)CCl	STIVAFOWPKOPJD-UHFFFAOYSA-N
DG56411	"1,3,4-trifluoro-2-nitro-10H-phenothiazine"	385372	"NSC676522; 1,3,4-trifluoro-2-nitro-10H-phenothiazine; CHEMBL1967693; ZINC1645902; NSC-676522; NCI60_027086; 10H-Phenothiazine,3,4-trifluoro-2-nitro-; 2-Nitro-1,3,4-trifluoro-10H-phenothiazine; 1,3,4-Trifluoro-2-(hydroxy(oxido)amino)-10H-phenothiazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676522	.	.	.	.	298.24	C12H5F3N2O2S	83.2	397	3.7	20	1	7	0	"InChI=1S/C12H5F3N2O2S/c13-7-8(14)12-10(9(15)11(7)17(18)19)16-5-3-1-2-4-6(5)20-12/h1-4,16H"	C1=CC=C2C(=C1)NC3=C(C(=C(C(=C3S2)F)F)[N+](=O)[O-])F	AWSJJTFAFQEBSD-UHFFFAOYSA-N
DG56412	"2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole"	385374	"NSC676536; CHEMBL1971618; DTXSID90327672; NSC-676536; 65992-13-4; NCI60_027095; 2,4,6-trinitrophenyl)-1,3,4-thiadiazole; 2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole; 2,5-Bis(3-amino-2,4,6-tris(hydroxy(oxido)amino)phenyl)-1,3,4-thiadiazole; 3-[5-(3-amino-2,4,6-trinitro-phenyl)-1,3,4-thiadiazol-2-yl]-2,4,6-trinitro-aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676536	.	.	.	.	538.3	C14H6N10O12S	381	895	2.4	37	2	17	2	"InChI=1S/C14H6N10O12S/c15-9-5(21(29)30)1-3(19(25)26)7(11(9)23(33)34)13-17-18-14(37-13)8-4(20(27)28)2-6(22(31)32)10(16)12(8)24(35)36/h1-2H,15-16H2"	C1=C(C(=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C2=NN=C(S2)C3=C(C(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])N)[N+](=O)[O-])[N+](=O)[O-]	ZQBFPTNBHLNCEN-UHFFFAOYSA-N
DG56413	N-(4-Methoxyphenyl)-4-(methylamino)benzenesulfinamide	385379	NSC676553; N-(4-Methoxyphenyl)-4-(methylamino)benzenesulfinamide; CHEMBL1987612; NSC-676553; NCI60_027097	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676553	.	.	.	.	276.36	C14H16N2O2S	69.6	285	3	19	2	5	5	"InChI=1S/C14H16N2O2S/c1-15-11-5-9-14(10-6-11)19(17)16-12-3-7-13(18-2)8-4-12/h3-10,15-16H,1-2H3"	CNC1=CC=C(C=C1)S(=O)NC2=CC=C(C=C2)OC	RBZRYEPFMZXTEW-UHFFFAOYSA-N
DG56414	4-Methoxy-N-(4-methoxyphenyl)benzenesulfinamide	385381	NSC676555; 4-Methoxy-N-(4-methoxyphenyl)benzenesulfinamide; CHEMBL1965621; NSC-676555; NCI60_027099	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676555	.	.	.	.	277.34	C14H15NO3S	66.8	284	3	19	1	5	5	"InChI=1S/C14H15NO3S/c1-17-12-5-3-11(4-6-12)15-19(16)14-9-7-13(18-2)8-10-14/h3-10,15H,1-2H3"	COC1=CC=C(C=C1)NS(=O)C2=CC=C(C=C2)OC	IRPMIOYAHIORNC-UHFFFAOYSA-N
DG56415	"N-(4-Methoxyphenyl)-2,4,6-trimethylbenzenesulfinamide"	385384	"NSC676558; N-(4-Methoxyphenyl)-2,4,6-trimethylbenzenesulfinamide; CHEMBL1980942; NSC-676558; NCI60_027102; N-(4-methoxyphenyl)-2,4,6-trimethyl-benzenesulfinamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676558	.	.	.	.	289.4	C16H19NO2S	57.5	316	4.1	20	1	4	4	"InChI=1S/C16H19NO2S/c1-11-9-12(2)16(13(3)10-11)20(18)17-14-5-7-15(19-4)8-6-14/h5-10,17H,1-4H3"	CC1=CC(=C(C(=C1)C)S(=O)NC2=CC=C(C=C2)OC)C	PQPPEWKFHKYMJR-UHFFFAOYSA-N
DG56416	N-(4-Methoxyphenyl)-3-phenyl-1-propanesulfinamide	385386	NSC676560; MLS003389363; CHEMBL1999360; NSC-676560; NCI60_027104; SMR002049018; N-(4-Methoxyphenyl)-3-phenyl-1-propanesulfinamide; N-(4-methoxyphenyl)-3-phenyl-propane-1-sulfinamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676560	.	.	.	.	289.4	C16H19NO2S	57.5	284	3.6	20	1	4	7	"InChI=1S/C16H19NO2S/c1-19-16-11-9-15(10-12-16)17-20(18)13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12,17H,5,8,13H2,1H3"	COC1=CC=C(C=C1)NS(=O)CCCC2=CC=CC=C2	MSQKSPBBRATJHV-UHFFFAOYSA-N
DG56417	4-Chloro-N-(4-methoxyphenyl)benzenesulfinamide	385389	NSC676563; 4-Chloro-N-(4-methoxyphenyl)benzenesulfinamide; CHEMBL1985067; NSC-676563; 4-Chloro-4'-methoxybenzenesulfinanilide; NCI60_027107; 4-Chloro-N-(4-methoxyphenyl)benzenesulfinamide #; N-(p-Methoxyphenyl)-p-chloro-benzenesulfinylamide; 21532-61-6	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676563	.	.	.	.	281.76	C13H12ClNO2S	57.5	274	3.6	18	1	4	4	"InChI=1S/C13H12ClNO2S/c1-17-12-6-4-11(5-7-12)15-18(16)13-8-2-10(14)3-9-13/h2-9,15H,1H3"	COC1=CC=C(C=C1)NS(=O)C2=CC=C(C=C2)Cl	ABBYNMLDUKOKRO-UHFFFAOYSA-N
DG56418	4-(Dimethylamino)-N-phenylbenzenesulfinamide	385390	NSC676564; 4-(Dimethylamino)-N-phenylbenzenesulfinamide; CHEMBL1997702; NSC-676564; NCI60_027108; 4-(dimethylamino)-N-phenyl-benzenesulfinamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676564	.	.	.	.	260.36	C14H16N2OS	51.6	269	3.1	18	1	4	4	"InChI=1S/C14H16N2OS/c1-16(2)13-8-10-14(11-9-13)18(17)15-12-6-4-3-5-7-12/h3-11,15H,1-2H3"	CN(C)C1=CC=C(C=C1)S(=O)NC2=CC=CC=C2	VHPMMNVYEYRLAG-UHFFFAOYSA-N
DG56419	2-Methoxy-N-(4-methoxyphenyl)benzenesulfinamide	385391	NSC676565; 2-Methoxy-N-(4-methoxyphenyl)benzenesulfinamide; CHEMBL1976711; NSC-676565; NCI60_027109	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676565	.	.	.	.	277.34	C14H15NO3S	66.8	292	3	19	1	5	5	"InChI=1S/C14H15NO3S/c1-17-12-9-7-11(8-10-12)15-19(16)14-6-4-3-5-13(14)18-2/h3-10,15H,1-2H3"	COC1=CC=C(C=C1)NS(=O)C2=CC=CC=C2OC	BVUJRKYSZHNFQL-UHFFFAOYSA-N
DG56420	"N,2-Diphenylethanesulfinamide"	385392	"NSC676566; N,2-Diphenylethanesulfinamide; CHEMBL1989924; NSC-676566; NCI60_027110"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676566	.	.	.	.	245.34	C14H15NOS	48.3	232	3.3	17	1	3	5	"InChI=1S/C14H15NOS/c16-17(15-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2"	C1=CC=C(C=C1)CCS(=O)NC2=CC=CC=C2	BRDZJHSJRAPMNM-UHFFFAOYSA-N
DG56421	N-(4-Methoxyphenyl)-2-phenylethanesulfinamide	385394	NSC676568; N-(4-Methoxyphenyl)-2-phenylethanesulfinamide; CHEMBL1995598; NSC-676568; NCI60_027112; N-(4-methoxyphenyl)-2-phenyl-ethanesulfinamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676568	.	.	.	.	275.4	C15H17NO2S	57.5	271	3.2	19	1	4	6	"InChI=1S/C15H17NO2S/c1-18-15-9-7-14(8-10-15)16-19(17)12-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3"	COC1=CC=C(C=C1)NS(=O)CCC2=CC=CC=C2	HZDKWFXWBCCNLU-UHFFFAOYSA-N
DG56422	N-(4-Methoxyphenyl)-3-methylbenzenesulfinamide	385395	NSC676569; N-(4-Methoxyphenyl)-3-methylbenzenesulfinamide; CHEMBL1985561; NSC-676569; NCI60_027113; N-(4-methoxyphenyl)-3-methyl-benzenesulfinamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676569	.	.	.	.	261.339	C14H15NO2S	57.5	277	3.4	18	1	4	4	"InChI=1S/C14H15NO2S/c1-11-4-3-5-14(10-11)18(16)15-12-6-8-13(17-2)9-7-12/h3-10,15H,1-2H3"	CC1=CC(=CC=C1)S(=O)NC2=CC=C(C=C2)OC	KDPXJECXKJPMGH-UHFFFAOYSA-N
DG56423	N-(4-methoxyphenyl)-4-phenyl-benzenesulfinamide	385396	"NSC676570; CHEMBL2000903; NSC-676570; NCI60_027114; N-(4-methoxyphenyl)-4-phenyl-benzenesulfinamide; N-(4-Methoxyphenyl)[1,1'-biphenyl]-4-sulfinamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676570	.	.	.	.	323.4	C19H17NO2S	57.5	368	4.6	23	1	4	5	"InChI=1S/C19H17NO2S/c1-22-18-11-9-17(10-12-18)20-23(21)19-13-7-16(8-14-19)15-5-3-2-4-6-15/h2-14,20H,1H3"	COC1=CC=C(C=C1)NS(=O)C2=CC=C(C=C2)C3=CC=CC=C3	DOXHNDPWVBHLCQ-UHFFFAOYSA-N
DG56424	2-Phenoxy-N-phenylbenzenesulfinamide	385398	NSC676572; 2-Phenoxy-N-phenylbenzenesulfinamide; CHEMBL2007022; 2-phenoxy-N-phenyl-benzenesulfinamide; NSC-676572; NCI60_027116	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676572	.	.	.	.	309.4	C18H15NO2S	57.5	351	4.5	22	1	4	5	"InChI=1S/C18H15NO2S/c20-22(19-15-9-3-1-4-10-15)18-14-8-7-13-17(18)21-16-11-5-2-6-12-16/h1-14,19H"	C1=CC=C(C=C1)NS(=O)C2=CC=CC=C2OC3=CC=CC=C3	KWYPRTANVQDIMD-UHFFFAOYSA-N
DG56425	"dimethyl (2S,3aS,8bR)-4-(benzenesulfonyl)-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-2,3-dicarboxylate"	385402	"NSC676577; 136057-11-9; CHEMBL1979215; DTXSID50327673; ZINC4026693; STL525987; AKOS030490425; MCULE-3354494438; NSC-676577; dimethyl (2S,3aS,8bR)-4-(benzenesulfonyl)-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-2,3-dicarboxylate; NCI60_027117; 1,2,3,3abeta,8,8abeta-Hexahydro-8-(phenylsulfonyl)pyrrolo[2,3-b]indole-1,2alpha-dicarboxylic acid dimethyl ester; dimethyl (2S,3aR,8aS)-8-(phenylsulfonyl)-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indole-1,2(2H)-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676577	.	.	.	.	416.4	C20H20N2O6S	102	745	2.6	29	0	7	5	"InChI=1S/C20H20N2O6S/c1-27-19(23)17-12-15-14-10-6-7-11-16(14)22(18(15)21(17)20(24)28-2)29(25,26)13-8-4-3-5-9-13/h3-11,15,17-18H,12H2,1-2H3/t15-,17+,18+/m1/s1"	COC(=O)[C@@H]1C[C@H]2[C@@H](N1C(=O)OC)N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4	AKYNJSOECBBYGA-NJAFHUGGSA-N
DG56426	NSC676591	385412	"[3,4,5-Triacetoxy-6-[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-2-thioxo-6,8-dihydroquinolin-1-yl]tetrahydropyran-2-yl]methyl acetate; NSC676591; CHEMBL1976968; NSC-676591; NCI60_027129; [3,4,5-triacetoxy-6-[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-2-thioxo-6,8-dihydroquinolin-1-yl]tetrahydropyran-2-yl]methyl acetate; 3-Quinolinecarbonitrile, 4-(4-chlorophenyl)-1,2,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-2-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676591	.	.	.	.	673.1	C32H33ClN2O10S	191	1440	3	46	0	12	11	"InChI=1S/C32H33ClN2O10S/c1-15(36)41-14-24-27(42-16(2)37)28(43-17(3)38)29(44-18(4)39)30(45-24)35-22-11-32(5,6)12-23(40)26(22)25(21(13-34)31(35)46)19-7-9-20(33)10-8-19/h7-10,24,27-30H,11-12,14H2,1-6H3"	CC(=O)OCC1C(C(C(C(O1)N2C3=C(C(=O)CC(C3)(C)C)C(=C(C2=S)C#N)C4=CC=C(C=C4)Cl)OC(=O)C)OC(=O)C)OC(=O)C	AQVQSVZZUCRWPY-UHFFFAOYSA-N
DG56427	"4-(2-furyl)-6-phenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-pyridine-3-carbonitrile"	385417	"NSC676597; CHEMBL1974900; NSC-676597; NCI60_027135; 3-Pyridinecarbonitrile, 4-(2-furanyl)-1-hexopyranosyl-1,4-dihydro-2-mercapto-6-phenyl-; 4-(2-furyl)-6-phenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-pyridine-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676597	.	.	.	.	442.5	C22H22N2O6S	131	773	1.2	31	5	9	4	"InChI=1S/C22H22N2O6S/c23-10-14-13(16-7-4-8-29-16)9-15(12-5-2-1-3-6-12)24(22(14)31)21-20(28)19(27)18(26)17(11-25)30-21/h1-9,13,17-21,25-28,31H,11H2"	C1=CC=C(C=C1)C2=CC(C(=C(N2C3C(C(C(C(O3)CO)O)O)O)S)C#N)C4=CC=CO4	UNJRKQHMCCKMSG-UHFFFAOYSA-N
DG56428	"4,6-diphenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-pyridine-3-carbonitrile"	385419	"NSC676599; CHEMBL1986500; NSC-676599; NCI60_027137; 3-Pyridinecarbonitrile, 1-hexopyranosyl-1,4-dihydro-2-mercapto-4,6-diphenyl-; 4,6-diphenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-pyridine-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676599	.	.	.	.	452.5	C24H24N2O5S	118	781	2.1	32	5	8	4	"InChI=1S/C24H24N2O5S/c25-12-17-16(14-7-3-1-4-8-14)11-18(15-9-5-2-6-10-15)26(24(17)32)23-22(30)21(29)20(28)19(13-27)31-23/h1-11,16,19-23,27-30,32H,13H2"	C1=CC=C(C=C1)C2C=C(N(C(=C2C#N)S)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4	LVMVPMRIRRYZFF-UHFFFAOYSA-N
DG56429	"[3,4,5-triacetoxy-6-(3-cyano-4,6-diphenyl-2-sulfanyl-4H-pyridin-1-yl)tetrahydropyran-2-yl]methyl acetate"	385420	"NSC676600; CHEMBL1980268; ZINC05536933; NSC-676600; NCI60_027138; [3,4,5-triacetoxy-6-(3-cyano-4,6-diphenyl-2-sulfanyl-4H-pyridin-1-yl)tetrahydropyran-2-yl]methyl acetate; 3-Pyridinecarbonitrile, 1,4-dihydro-2-mercapto-4,6-diphenyl-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676600	.	.	.	.	620.7	C32H32N2O9S	143	1210	3.8	44	1	12	12	"InChI=1S/C32H32N2O9S/c1-18(35)39-17-27-28(40-19(2)36)29(41-20(3)37)30(42-21(4)38)31(43-27)34-26(23-13-9-6-10-14-23)15-24(25(16-33)32(34)44)22-11-7-5-8-12-22/h5-15,24,27-31,44H,17H2,1-4H3"	CC(=O)OCC1C(C(C(C(O1)N2C(=CC(C(=C2S)C#N)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C	PLBVEELNKWFCIC-UHFFFAOYSA-N
DG56430	NSC676603	385423	"[3,4,5-triacetoxy-6-[3-acetyl-4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate; NSC676603; CHEMBL1987401; NSC-676603; NCI60_027141; [3,4,5-triacetoxy-6-[3-acetyl-4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate; 3-Pyridinecarbonitrile, 5-acetyl-4-(4-chlorophenyl)-1,4-dihydro-2-mercapto-6-methyl-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676603	.	.	.	.	635.1	C29H31ClN2O10S	160	1260	2.6	43	1	13	12	"InChI=1S/C29H31ClN2O10S/c1-13-23(14(2)33)24(19-7-9-20(30)10-8-19)21(11-31)29(43)32(13)28-27(41-18(6)37)26(40-17(5)36)25(39-16(4)35)22(42-28)12-38-15(3)34/h7-10,22,24-28,43H,12H2,1-6H3"	CC1=C(C(C(=C(N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)S)C#N)C3=CC=C(C=C3)Cl)C(=O)C	LGOAJNOJGAAEKS-UHFFFAOYSA-N
DG56431	NSC676607	385427	"5-acetyl-4-(4-methoxyphenyl)-6-phenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-pyridine-3-carbonitrile; NSC676607; CHEMBL1999111; NSC-676607; NCI60_027145; 3-Pyridinecarbonitrile, 5-acetyl-1-hexopyranosyl-1,4-dihydro-2-mercapto-4-(4-methoxyphenyl)-6-phenyl-; 5-acetyl-4-(4-methoxyphenyl)-6-phenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-pyridine-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676607	.	.	.	.	524.6	C27H28N2O7S	145	961	1.5	37	5	10	6	"InChI=1S/C27H28N2O7S/c1-14(31)20-21(15-8-10-17(35-2)11-9-15)18(12-28)27(37)29(22(20)16-6-4-3-5-7-16)26-25(34)24(33)23(32)19(13-30)36-26/h3-11,19,21,23-26,30,32-34,37H,13H2,1-2H3"	CC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)OC)C#N)S)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4	NCJDOAWFILBTLX-UHFFFAOYSA-N
DG56432	"[3,4,5-Triacetoxy-6-(3-cyano-2-thioxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-yl)tetrahydropyran-2-yl]methyl acetate"	385433	"NSC676613; CHEMBL1985513; NSC-676613; NCI60_027151; [3,4,5-triacetoxy-6-(3-cyano-2-thioxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-yl)tetrahydropyran-2-yl]methyl acetate; Cycloocta[b]pyridine-3-carbonitrile, 1,2,5,6,7,8,9,10-octahydro-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-2-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676613	.	.	.	.	548.6	C26H32N2O9S	174	1110	2.4	38	0	11	10	"InChI=1S/C26H32N2O9S/c1-14(29)33-13-21-22(34-15(2)30)23(35-16(3)31)24(36-17(4)32)25(37-21)28-20-10-8-6-5-7-9-18(20)11-19(12-27)26(28)38/h11,21-25H,5-10,13H2,1-4H3"	CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCCCCC3)C=C(C2=S)C#N)OC(=O)C)OC(=O)C)OC(=O)C	XWZKHPDPRLNVIU-UHFFFAOYSA-N
DG56433	ARQ monoacetate	385441	"ARQ monoacetate; NSC676676; Asterriquinone acetate; Asterriquinone monoacetate; CHEMBL2002547; NSC-676676; 2,5-Bis(1-(1,1-dimethyl-2-propenyl)-1H-indol-3-yl)-4-hydroxy-3,6-dioxo-1,4-cyclohexadien-1-yl acetate; NCI60_027163; [2,5-bis[1-(1,1-dimethylallyl)indol-3-yl]-4-hydroxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676676	.	.	.	.	548.6	C34H32N2O5	90.5	1210	5.9	41	1	5	8	"InChI=1S/C34H32N2O5/c1-8-33(4,5)35-18-23(21-14-10-12-16-25(21)35)27-29(38)30(39)28(32(31(27)40)41-20(3)37)24-19-36(34(6,7)9-2)26-17-13-11-15-22(24)26/h8-19,38H,1-2H2,3-7H3"	CC(=O)OC1=C(C(=O)C(=C(C1=O)C2=CN(C3=CC=CC=C32)C(C)(C)C=C)O)C4=CN(C5=CC=CC=C54)C(C)(C)C=C	UGDNNEPDNMTIIF-UHFFFAOYSA-N
DG56434	"3-(4-Methoxyphenyl)-8H-thieno[2,3-b]pyrrolizin-8-one"	385455	"NSC676693; 3-(4-Methoxyphenyl)-8H-thieno[2,3-b]pyrrolizin-8-one; 156274-19-0; MR 16924; 3-(4-methoxyphenyl)thieno[2,3-b]pyrrolizin-8-one; CHEMBL35955; SCHEMBL7003322; DTXSID10327674; ZINC1645971; CCG-36584; 8H-Thieno[2, 3-(4-methoxyphenyl)-; NCI60_027176; 3-(4-methoxyphenyl)-4H-thieno[2,3-b]pyrrolizin-8-one; 3-(4-methoxyphenyl)-8H-thieno[2.3-b]pyrrolizin-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676693	.	.	.	.	281.3	C16H11NO2S	59.5	394	3.8	20	0	3	2	"InChI=1S/C16H11NO2S/c1-19-11-6-4-10(5-7-11)12-9-20-16-14(12)17-8-2-3-13(17)15(16)18/h2-9H,1H3"	COC1=CC=C(C=C1)C2=CSC3=C2N4C=CC=C4C3=O	STBQKICVQXGVLM-UHFFFAOYSA-N
DG56435	"3-Phenyl-8-(1-pyrrolidinyl)-8H-thieno[2,3-b]pyrrolizine"	385456	"NSC676694; CHEMBL1991342; 3-Phenyl-8-(1-pyrrolidinyl)-8H-thieno[2,3-b]pyrrolizine; 3-phenyl-8-pyrrolidin-1-yl-8H-thieno[2,3-b]pyrrolizine; NSC-676694; NCI60_027177"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676694	.	.	.	.	306.4	C19H18N2S	36.4	402	3.8	22	0	2	2	"InChI=1S/C19H18N2S/c1-2-7-14(8-3-1)15-13-22-19-17(15)21-12-6-9-16(21)18(19)20-10-4-5-11-20/h1-3,6-9,12-13,18H,4-5,10-11H2"	C1CCN(C1)C2C3=CC=CN3C4=C2SC=C4C5=CC=CC=C5	OIIGPQKNFGHEGO-UHFFFAOYSA-N
DG56436	(4S)-1-Acetyl-2-oxoimidazolidine-4-carboxylic acid methyl ester	385474	NSC676705; CHEMBL1992877; NSC-676705; NCI60_027180; (4S)-1-Acetyl-2-oxoimidazolidine-4-carboxylic acid methyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676705	.	.	.	.	186.17	C7H10N2O4	75.7	263	-0.9	13	1	4	2	"InChI=1S/C7H10N2O4/c1-4(10)9-3-5(6(11)13-2)8-7(9)12/h5H,3H2,1-2H3,(H,8,12)/t5-/m0/s1"	CC(=O)N1C[C@H](NC1=O)C(=O)OC	TXCMRFRRAYRMGM-YFKPBYRVSA-N
DG56437	N-[diethoxyphosphoryl(phenyl)methyl]-3-nitroaniline	385493	NSC676742; MLS000767215; SMR000429547; N-[diethoxyphosphoryl(phenyl)methyl]-3-nitro-aniline; [(3-Nitro-phenylamino)-phenyl-methyl]-phosphonic acid diethyl ester; N-[diethoxyphosphoryl(phenyl)methyl]-3-nitroaniline; cid_385493; CHEMBL1418504; BDBM52836; HMS2795F14; STL581318; AKOS003634880; MCULE-3426198537; NSC-676742; NCI60_027204; [diethoxyphosphoryl(phenyl)methyl]-(3-nitrophenyl)amine; alpha-(3-Nitroanilino)benzylphosphonic acid diethyl ester; diethyl {[(3-nitrophenyl)amino](phenyl)methyl}phosphonate; Diethyl (3-(hydroxy(oxido)amino)anilino)(phenyl)methylphosphonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676742	.	.	.	.	364.3	C17H21N2O5P	93.4	454	3.3	25	1	6	8	"InChI=1S/C17H21N2O5P/c1-3-23-25(22,24-4-2)17(14-9-6-5-7-10-14)18-15-11-8-12-16(13-15)19(20)21/h5-13,17-18H,3-4H2,1-2H3"	CCOP(=O)(C(C1=CC=CC=C1)NC2=CC(=CC=C2)[N+](=O)[O-])OCC	PPUIQPHUSHPJKF-UHFFFAOYSA-N
DG56438	2-diethoxyphosphoryl-N-methyl-butan-2-amine	385499	NSC676748; Diethyl 1-methyl-1-(methylamino)propylphosphonate; CHEMBL2001687; NSC-676748; NCI60_027210; 2-diethoxyphosphoryl-N-methyl-butan-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676748	.	.	.	.	223.25	C9H22NO3P	47.6	200	1	14	1	4	7	"InChI=1S/C9H22NO3P/c1-6-9(4,10-5)14(11,12-7-2)13-8-3/h10H,6-8H2,1-5H3"	CCC(C)(NC)P(=O)(OCC)OCC	TXVVXXMNYJCVPX-UHFFFAOYSA-N
DG56439	NSC676770	385519	"(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; NSC676770; CHEMBL2000910; NSC-676770; NCI60_027228"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676770	.	.	.	.	781	C42H68O13	216	1480	4.3	55	8	13	7	"InChI=1S/C42H68O13/c1-37(2)14-16-42(36(50)51)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)54-35-33(31(48)29(46)24(20-44)53-35)55-34-32(49)30(47)28(45)23(19-43)52-34/h8,22-35,43-49H,9-20H2,1-7H3,(H,50,51)/t22-,23 ,24 ,25-,26+,27-,28 ,29 ,30 ,31 ,32 ,33 ,34 ,35 ,39-,40+,41+,42-/m0/s1"	C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O	LEQCLUFJRGKLOA-JLRAIIHGSA-N
DG56440	NSC676772	385521	"[3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate; NSC676772; CHEMBL2003252; NSC-676772; NCI60_027230; Olean-12-en-28-oic acid, [2-O-[4-O-(.beta.-D-xylopyranosyl)-6-deoxy- .beta.-D-gulopyranosyl]-.beta.-L-arbinopyranosyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676772	.	.	.	.	1191.3	C58H94O25	393	2310	-0.1	83	14	25	13	"InChI=1S/C58H94O25/c1-24-44(80-47-41(70)34(63)27(61)22-74-47)40(69)43(72)48(76-24)81-45-35(64)28(62)23-75-50(45)83-52(73)58-17-15-53(2,3)19-26(58)25-9-10-32-55(6)13-12-33(54(4,5)31(55)11-14-57(32,8)56(25,7)16-18-58)79-51-46(39(68)37(66)30(21-60)78-51)82-49-42(71)38(67)36(65)29(20-59)77-49/h9,24,26-51,59-72H,10-23H2,1-8H3/t24 ,26-,27 ,28 ,29 ,30 ,31-,32+,33-,34 ,35 ,36 ,37 ,38 ,39 ,40 ,41 ,42 ,43 ,44 ,45 ,46 ,47 ,48 ,49 ,50 ,51 ,55-,56+,57+,58-/m0/s1"	CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)[C@@]34CC[C@@]5(C(=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(CC[C@@H](C7(C)C)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)[C@@H]3CC(CC4)(C)C)C)O)O)O)O)OC1C(C(C(CO1)O)O)O	SNUYYOZIHXZPOM-WYDBGDADSA-N
DG56441	NSC676773	385522	"[3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate; NSC676773; NSC676774; CHEMBL1996769; NSC-676773; NSC-676774; NCI60_027231; NCI60_027232; Olean-12-en-28-oic acid, [2-O-[4-O-[3-O-(.beta.-D-xylopyranosyl)- .beta.-D-xylopyranosyl]-6-deoxy-.beta.-D-gulopyranosyl]- .beta.-L-arabinopyranosyl] ester; Olean-12-en-28-oic acid, [2-O-[4-O-[3-O-(.beta.-L-arabinopyranosyl)- .beta.-D-xylopyranosyl]-6-deoxy-.beta.-D-gulopyranosyl]- .beta.-L-arabinopyranosyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676773	.	.	.	.	1323.5	C63H102O29	452	2580	-1.6	92	16	29	15	"InChI=1S/C63H102O29/c1-25-47(88-52-46(79)48(30(68)24-82-52)89-51-43(76)36(69)28(66)22-81-51)42(75)45(78)53(84-25)90-49-37(70)29(67)23-83-55(49)92-57(80)63-17-15-58(2,3)19-27(63)26-9-10-34-60(6)13-12-35(59(4,5)33(60)11-14-62(34,8)61(26,7)16-18-63)87-56-50(41(74)39(72)32(21-65)86-56)91-54-44(77)40(73)38(71)31(20-64)85-54/h9,25,27-56,64-79H,10-24H2,1-8H3/t25 ,27-,28 ,29 ,30 ,31 ,32 ,33-,34+,35-,36 ,37 ,38 ,39 ,40 ,41 ,42 ,43 ,44 ,45 ,46 ,47 ,48 ,49 ,50 ,51 ,52 ,53 ,54 ,55 ,56 ,60-,61+,62+,63-/m0/s1"	CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)[C@@]34CC[C@@]5(C(=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(CC[C@@H](C7(C)C)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)[C@@H]3CC(CC4)(C)C)C)O)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O	GGJRZIMZYBAXEM-RYLUFRSVSA-N
DG56442	NSC676775	385523	"[3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate; NSC676775; CHEMBL1983155; NSC-676775; NCI60_027233; Olean-12-en-28-oic acid, [2-O-[[4-O-[3-O-(.beta.-L-arabinopyranosyl)- .beta.-D-xylopyranosyl]-3-O-.beta.-D-xylopyranosyl]- 6-deoxy-D-gulopyranosyl]-.beta.-L-arabinopyranosyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676775	.	.	.	.	1455.6	C68H110O33	510	2860	-3.1	101	18	33	17	"InChI=1S/C68H110O33/c1-26-50(96-57-48(85)51(32(74)25-90-57)97-55-45(82)38(75)29(71)22-88-55)52(98-56-46(83)39(76)30(72)23-89-56)49(86)59(92-26)99-53-40(77)31(73)24-91-60(53)101-62(87)68-17-15-63(2,3)19-28(68)27-9-10-36-65(6)13-12-37(64(4,5)35(65)11-14-67(36,8)66(27,7)16-18-68)95-61-54(44(81)42(79)34(21-70)94-61)100-58-47(84)43(80)41(78)33(20-69)93-58/h9,26,28-61,69-86H,10-25H2,1-8H3/t26 ,28-,29 ,30 ,31 ,32 ,33 ,34 ,35-,36+,37-,38 ,39 ,40 ,41 ,42 ,43 ,44 ,45 ,46 ,47 ,48 ,49 ,50 ,51 ,52 ,53 ,54 ,55 ,56 ,57 ,58 ,59 ,60 ,61 ,65-,66+,67+,68-/m0/s1"	CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)[C@@]34CC[C@@]5(C(=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(CC[C@@H](C7(C)C)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)[C@@H]3CC(CC4)(C)C)C)O)O)O)OC1C(C(C(CO1)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O	QWABEDSRNSIDQD-DZZWWZRLSA-N
DG56443	NSC676776	385524	"6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid; NSC676776; CHEMBL1969693; NSC676778; NSC-676776; NSC-676778; NCI60_027234; NCI60_027236; Olean-12-en-28-oic acid, [2-O-[[4-O-[3-O-(.beta.-D-xylopyranosyl)- .beta.-D-xylopyranosyl]-3-O-(.beta.-D-xylopyranosyl)]- 6-deoxy-D-gulopyranosyl]-.beta.-L-arabinosyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676776	.	.	.	.	1439.5	C67H106O33	507	2890	-2.8	100	17	33	16	"InChI=1S/C67H106O33/c1-25-47(94-57-44(81)48(32(72)24-90-57)95-54-40(77)36(73)28(68)20-87-54)50(97-56-42(79)38(75)30(70)22-89-56)46(83)58(92-25)99-52-39(76)31(71)23-91-60(52)100-61(86)67-17-15-62(2,3)19-27(67)26-9-10-34-64(6)13-12-35(63(4,5)33(64)11-14-66(34,8)65(26,7)16-18-67)93-59-45(82)49(43(80)51(98-59)53(84)85)96-55-41(78)37(74)29(69)21-88-55/h9,25,27-52,54-60,68-83H,10-24H2,1-8H3,(H,84,85)/t25 ,27-,28 ,29 ,30 ,31 ,32 ,33-,34+,35-,36 ,37 ,38 ,39 ,40 ,41 ,42 ,43 ,44 ,45 ,46 ,47 ,48 ,49 ,50 ,51 ,52 ,54 ,55 ,56 ,57 ,58 ,59 ,60 ,64-,65+,66+,67-/m0/s1"	CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)[C@@]34CC[C@@]5(C(=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(CC[C@@H](C7(C)C)OC8C(C(C(C(O8)C(=O)O)O)OC9C(C(C(CO9)O)O)O)O)C)C)[C@@H]3CC(CC4)(C)C)C)O)O)O)OC1C(C(C(CO1)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O	AUWIBYQJUPOTCJ-IEEXDSJTSA-N
DG56444	NSC676777	385525	"methyl 6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylate; NSC676779; NSC676777; CHEMBL1973380; NSC-676777; NSC-676779; NCI60_027235; NCI60_027237; Olean-12-en-28-oic acid, [2-O-[[4-O-[3-O-(.beta.-D-xylopyranosyl)- .beta.-D-xylopyranosyl]-3-O-(.beta.-D-xylopyranosyl)]- 6-deoxy-D-gulopyranosyl]-.beta.-L-arabinopyranosyl] ester; Olean-12-en-28-oic acid, [2-O-[[4-O-[3-O-(.beta.-L-arabinopyranosyl)- .beta.-D-xylopyranosyl]-3-O-(.beta.-D-xylopyranosyl)]- 6-deoxy-.beta.-D-gulopyranosyl]-.beta.-L-arabinopyranosyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676777	.	.	.	.	1453.6	C68H108O33	496	2910	-2.5	101	16	33	17	"InChI=1S/C68H108O33/c1-26-48(95-58-45(82)49(33(73)25-91-58)96-55-41(78)37(74)29(69)21-88-55)51(98-57-43(80)39(76)31(71)23-90-57)47(84)59(93-26)100-53-40(77)32(72)24-92-61(53)101-62(86)68-18-16-63(2,3)20-28(68)27-10-11-35-65(6)14-13-36(64(4,5)34(65)12-15-67(35,8)66(27,7)17-19-68)94-60-46(83)50(44(81)52(99-60)54(85)87-9)97-56-42(79)38(75)30(70)22-89-56/h10,26,28-53,55-61,69-84H,11-25H2,1-9H3/t26 ,28-,29 ,30 ,31 ,32 ,33 ,34-,35+,36-,37 ,38 ,39 ,40 ,41 ,42 ,43 ,44 ,45 ,46 ,47 ,48 ,49 ,50 ,51 ,52 ,53 ,55 ,56 ,57 ,58 ,59 ,60 ,61 ,65-,66+,67+,68-/m0/s1"	CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)[C@@]34CC[C@@]5(C(=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(CC[C@@H](C7(C)C)OC8C(C(C(C(O8)C(=O)OC)O)OC9C(C(C(CO9)O)O)O)O)C)C)[C@@H]3CC(CC4)(C)C)C)O)O)O)OC1C(C(C(CO1)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O	ZTRXMNCGKZORNF-VMZYMQEXSA-N
DG56445	NSC676788	385532	"methyl 6-[[(3S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate; NSC676788; NSC676792; CHEMBL1968117; NSC-676788; NSC-676792; NCI60_027246; NCI60_027250; Olean-12-en-28-oic acid, [2-O-[4-O-(.beta.-D-xylopyranosyl)-6-deoxy- .beta.-D-gulopyranosyl)]-.beta.-D-xylopyranosyl] ester; Olean-12-en-28-oic acid, [2-O-[4-O-(.beta.-D-xylopyranosyl)-6-deoxy- .beta.-D-gulopyranosyl]-.beta.-L-arabinopyranosyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676788	.	.	.	.	1073.2	C53H84O22	340	2130	1.5	75	11	22	11	"InChI=1S/C53H84O22/c1-22-39(72-43-36(62)31(57)25(54)20-68-43)35(61)38(64)44(70-22)74-41-32(58)26(55)21-69-46(41)75-47(66)53-17-16-48(2,3)18-24(53)23-10-11-28-50(6)14-13-30(71-45-37(63)33(59)34(60)40(73-45)42(65)67-9)49(4,5)27(50)12-15-51(28,7)52(23,8)19-29(53)56/h10,22,24-41,43-46,54-64H,11-21H2,1-9H3/t22 ,24-,25 ,26 ,27-,28+,29+,30-,31 ,32 ,33 ,34 ,35 ,36 ,37 ,38 ,39 ,40 ,41 ,43 ,44 ,45 ,46 ,50-,51+,52+,53+/m0/s1"	CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@@H]6[C@]7(CC[C@@H](C([C@@H]7CC[C@]6([C@@]5(C[C@H]4O)C)C)(C)C)OC8C(C(C(C(O8)C(=O)OC)O)O)O)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O	CQOWKXHYGFCJHS-DFRVBFNPSA-N
DG56446	NSC676790	385534	"methyl 6-[[(3S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[3-[5-[3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate; NSC676790; CHEMBL2003600; NSC-676790; NCI60_027248; Olean-12-en-28-oic acid, [2-O-[4-O-[4-O-(.beta.-D-xylopyranosyl)- .beta.-D-xylopyranosyl]-6-deoxy-.beta.-D-gulopyranosyl]- .beta.-L-arabinopyranosyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676790	.	.	.	.	1205.3	C58H92O26	399	2400	0	84	13	26	13	"InChI=1S/C58H92O26/c1-23-43(81-48-40(69)35(64)28(22-77-48)79-47-39(68)33(62)26(59)20-75-47)38(67)42(71)49(78-23)83-45-34(63)27(60)21-76-51(45)84-52(73)58-17-16-53(2,3)18-25(58)24-10-11-30-55(6)14-13-32(80-50-41(70)36(65)37(66)44(82-50)46(72)74-9)54(4,5)29(55)12-15-56(30,7)57(24,8)19-31(58)61/h10,23,25-45,47-51,59-71H,11-22H2,1-9H3/t23 ,25-,26 ,27 ,28 ,29-,30+,31+,32-,33 ,34 ,35 ,36 ,37 ,38 ,39 ,40 ,41 ,42 ,43 ,44 ,45 ,47 ,48 ,49 ,50 ,51 ,55-,56+,57+,58+/m0/s1"	CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@@H]6[C@]7(CC[C@@H](C([C@@H]7CC[C@]6([C@@]5(C[C@H]4O)C)C)(C)C)OC8C(C(C(C(O8)C(=O)OC)O)O)O)C)(C)C)O)O)O)O)OC9C(C(C(CO9)OC1C(C(C(CO1)O)O)O)O)O	DXDGYHVNDYHARV-MXCJHSMASA-N
DG56447	NSC676794	385536	"methyl 6-[[(3S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate; NSC676794; CHEMBL1981483; NSC-676794; NCI60_027252; Olean-12-en-28-oic acid, [2-O-[3-O-(D-.apio.-.beta.-D-ribofuranosy)- 4-O-(.beta.-D-xylopyranosyl)-6-deoxy- .beta.-D-gulopyranosyl]-.beta.-D-xylopyranosyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676794	.	.	.	.	1205.3	C58H92O26	399	2410	0.3	84	13	26	14	"InChI=1S/C58H92O26/c1-24-40(80-46-37(67)33(63)27(60)20-75-46)41(81-50-44(70)57(73,22-59)23-77-50)39(69)48(78-24)83-43-34(64)28(61)21-76-49(43)84-51(72)58-17-16-52(2,3)18-26(58)25-10-11-30-54(6)14-13-32(79-47-38(68)35(65)36(66)42(82-47)45(71)74-9)53(4,5)29(54)12-15-55(30,7)56(25,8)19-31(58)62/h10,24,26-44,46-50,59-70,73H,11-23H2,1-9H3/t24 ,26-,27 ,28 ,29-,30+,31+,32-,33 ,34 ,35 ,36 ,37 ,38 ,39 ,40 ,41 ,42 ,43 ,44 ,46 ,47 ,48 ,49 ,50 ,54-,55+,56+,57 ,58+/m0/s1"	CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@@H]6[C@]7(CC[C@@H](C([C@@H]7CC[C@]6([C@@]5(C[C@H]4O)C)C)(C)C)OC8C(C(C(C(O8)C(=O)OC)O)O)O)C)(C)C)O)O)O)OC9C(C(CO9)(CO)O)O)OC1C(C(C(CO1)O)O)O	OOAPEJATVYBYAK-HNVHDFDLSA-N
DG56448	NSC676812	385544	"[6-[[(3R,5R,7R,8R,9R,10S,14R)-3-acetyloxy-17-[(2S,4R,5R)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate; NSC676812; CHEMBL1981181; NSC-676812; NCI60_027260"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676812	.	.	.	.	720.9	C40H64O11	172	1360	4.7	51	5	11	12	"InChI=1S/C40H64O11/c1-20(2)32(44)26(43)17-21(3)24-13-16-39(9)25(24)11-12-28-38(8)15-14-30(49-23(5)42)37(6,7)29(38)18-31(40(28,39)10)51-36-35(47)34(46)33(45)27(50-36)19-48-22(4)41/h11,21,24,26-36,43-47H,1,12-19H2,2-10H3/t21-,24 ,26+,27 ,28+,29-,30+,31+,32+,33 ,34 ,35 ,36 ,38+,39+,40-/m0/s1"	C[C@@H](C[C@H]([C@@H](C(=C)C)O)O)C1CC[C@@]2(C1=CC[C@H]3[C@]2([C@@H](C[C@@H]4[C@@]3(CC[C@H](C4(C)C)OC(=O)C)C)OC5C(C(C(C(O5)COC(=O)C)O)O)O)C)C	JMCIAFGPTOBWRU-RKDHYRFISA-N
DG56449	NSC676816	385548	"(3R,5R,7R,8R,9R,10S,13S,17R)-17-[(2S)-1-[(4R,5S)-5-(2-hydroxypropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol; NSC676816; CHEMBL1991053; NSC-676816; NCI60_027264"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676816	.	.	.	.	532.8	C33H56O5	79.2	968	6.1	38	3	5	4	"InChI=1S/C33H56O5/c1-19(17-21-27(29(4,5)36)38-30(6,7)37-21)20-11-12-22-31(20,8)15-13-23-32(9)16-14-25(34)28(2,3)24(32)18-26(35)33(22,23)10/h12,19-21,23-27,34-36H,11,13-18H2,1-10H3/t19-,20+,21+,23+,24-,25+,26+,27-,31-,32+,33-/m0/s1"	C[C@@H](C[C@@H]1[C@H](OC(O1)(C)C)C(C)(C)O)[C@H]2CC=C3[C@]2(CC[C@H]4[C@]3([C@@H](C[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)O)C)C	CZELCPQXJQJLLJ-HFFQLPFPSA-N
DG56450	NSC676817	385549	"(46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-(1,2,3,4,5-pentahydroxypentyl)-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone; NSC676817; CHEMBL1976313; NSC-676817; NCI60_027265"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676817	.	.	.	.	1068.8	C46H36O30	536	2190	-1.3	76	20	30	5	"InChI=1S/C46H36O30/c47-4-12(51)27(55)36(64)35(63)23-20-22-19(33(61)38(66)34(20)62)18-21-17(31(59)37(65)32(18)60)16-8(3-11(50)26(54)30(16)58)43(68)73-13-5-72-42(67)6-1-9(48)24(52)28(56)14(6)15-7(2-10(49)25(53)29(15)57)44(69)74-39(13)41(76-46(21)71)40(23)75-45(22)70/h1-3,12-13,23,27,35-36,39-41,47-66H,4-5H2/t12 ,13 ,23-,27 ,35 ,36 ,39 ,40 ,41 /m1/s1"	C1C2C(C3C4[C@H](C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)C(C(C(C(CO)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O	KYLNUSOFJPEGQL-KFHLWQGWSA-N
DG56451	NSC676827	385555	"[(1'R,3S,3aS,6aS,37'R)-3,6a,10',11',12',15',16',17',31',32',36',37'-dodecahydroxy-2',5,7',20',28',41'-hexaoxospiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,39'-3,6,21,24,27,38,42-heptaoxanonacyclo[35.2.2.133,36.01,35.04,23.05,26.08,13.014,19.029,34]dotetraconta-8,10,12,14,16,18,29,31,33-nonaene]-25'-yl] 3,4,5-trihydroxybenzoate; NSC676827; CHEMBL1992969; NSC-676827; NCI60_027274"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676827	.	.	.	.	1110.8	C47H34O32	515	2570	-2.8	79	15	32	3	"InChI=1S/C47H34O32/c48-13-1-9(2-14(49)24(13)55)36(61)77-40-33-32-30(19(72-40)8-70-37(62)10-3-15(50)25(56)28(59)21(10)22-11(38(63)73-32)4-16(51)26(57)29(22)60)75-41(65)43-6-20(54)45(67,79-44(43)42(66)76-35-18(53)7-71-47(35,44)69)46(68)34(43)23-12(39(64)74-33)5-17(52)27(58)31(23)78-46/h1-5,18-19,30,32-35,40,48-53,55-60,67-69H,6-8H2/t18-,19 ,30 ,32 ,33 ,34 ,35-,40 ,43-,44 ,45+,46 ,47-/m0/s1"	C1[C@@H]([C@H]2[C@](O1)(C3(C(=O)O2)[C@@]45CC(=O)[C@@](O3)(C6(C4C7=C(O6)C(=C(C=C7C(=O)OC8C9C(C(COC(=O)C1=CC(=C(C(=C1C1=C(C(=C(C=C1C(=O)O9)O)O)O)O)O)O)OC8OC(=O)C1=CC(=C(C(=C1)O)O)O)OC5=O)O)O)O)O)O)O	XCXWMHRRISFUFF-HESLTPISSA-N
DG56452	NSC676857	385568	"methyl (5S,8S)-1,3-dioxo-2-phenyl-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxylate; NSC676857; MLS002702286; CHEMBL1968038; NSC-676857; NCI60_027287; 1H-[1,4]Triazolo[1,2-a]pyridazine-8-carboxylic acid, 5-(.beta.-D-glucopyranosyloxy)-2,3,5,8-tetrahydro- 1,3-dioxo-2-phenyl-, methyl ester, 2',3',4',6'-O-tetraacetate ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676857	.	.	.	.	633.6	C28H31N3O14	194	1230	1	45	0	14	14	"InChI=1S/C28H31N3O14/c1-14(32)40-13-20-22(41-15(2)33)23(42-16(3)34)24(43-17(4)35)26(44-20)45-21-12-11-19(25(36)39-5)30-27(37)29(28(38)31(21)30)18-9-7-6-8-10-18/h6-12,19-24,26H,13H2,1-5H3/t19-,20 ,21-,22 ,23 ,24 ,26 /m0/s1"	CC(=O)OCC1C(C(C(C(O1)O[C@H]2C=C[C@H](N3N2C(=O)N(C3=O)C4=CC=CC=C4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C	GFIMWEJQHUYXDX-WABFHLJMSA-N
DG56453	Diphenyl(4-(phenyl(triphenylphosphoranylidene)methyl)phenyl)phosphine selenide	385573	NSC676864; Neuro_000413; CHEMBL1997950; NSC-676864; NCI60_027294; Diphenyl(4-(phenyl(triphenylphosphoranylidene)methyl)phenyl)phosphine selenide; diphenyl-[4-[phenyl-(triphenyl-$l^{5}-phosphanylidene)methyl]phenyl]-selenoxo-$l^{5}-phosphane	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676864	.	.	.	.	691.6	C43H34P2Se	0	943	.	46	0	0	8	"InChI=1S/C43H34P2Se/c46-45(40-27-15-5-16-28-40,41-29-17-6-18-30-41)42-33-31-36(32-34-42)43(35-19-7-1-8-20-35)44(37-21-9-2-10-22-37,38-23-11-3-12-24-38)39-25-13-4-14-26-39/h1-34H"	C1=CC=C(C=C1)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)P(=[Se])(C6=CC=CC=C6)C7=CC=CC=C7	OGCQVGNXFQKRGU-UHFFFAOYSA-N
DG56454	"5-(1-Piperidinylmethyl)-1,3-oxazolidin-2-imine"	385578	"NSC676871; 91595-67-4; 5-(1-Piperidinylmethyl)-1,3-oxazolidin-2-imine; CHEMBL2005908; SCHEMBL10999922; DTXSID50327678; NSC-676871; 5-Piperidinomethyl-2-amino-2-oxazoline; 5-(1-piperidylmethyl)oxazolidin-2-imine; NCI60_027301"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676871	.	.	.	.	183.25	C9H17N3O	50.8	199	0.2	13	1	3	2	"InChI=1S/C9H17N3O/c10-9-11-6-8(13-9)7-12-4-2-1-3-5-12/h8H,1-7H2,(H2,10,11)"	C1CCN(CC1)CC2CN=C(O2)N	XEIDVARRTALSIU-UHFFFAOYSA-N
DG56455	4-tert-Butyl-2-(hydroxy(2-pyridinyl)methyl)phenol	385585	NSC676882; 4-tert-Butyl-2-(hydroxy(2-pyridinyl)methyl)phenol; CHEMBL2006392; ZINC04627845; NSC-676882; NCI60_027308; 4-tert-butyl-2-[hydroxy(2-pyridyl)methyl]phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676882	.	.	.	.	257.329	C16H19NO2	53.4	287	3.6	19	2	3	3	"InChI=1S/C16H19NO2/c1-16(2,3)11-7-8-14(18)12(10-11)15(19)13-6-4-5-9-17-13/h4-10,15,18-19H,1-3H3"	CC(C)(C)C1=CC(=C(C=C1)O)C(C2=CC=CC=N2)O	KYDMSJACVKSRNS-UHFFFAOYSA-N
DG56456	4-tert-Butyl-2-(hydroxy(3-pyridinyl)methyl)phenol	385586	NSC676883; 4-tert-Butyl-2-(hydroxy(3-pyridinyl)methyl)phenol; CHEMBL1988801; NSC-676883; NCI60_027309; 4-tert-butyl-2-[hydroxy(3-pyridyl)methyl]phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676883	.	.	.	.	257.329	C16H19NO2	53.4	287	3.5	19	2	3	3	"InChI=1S/C16H19NO2/c1-16(2,3)12-6-7-14(18)13(9-12)15(19)11-5-4-8-17-10-11/h4-10,15,18-19H,1-3H3"	CC(C)(C)C1=CC(=C(C=C1)O)C(C2=CN=CC=C2)O	DWKKJECJDAEXFY-UHFFFAOYSA-N
DG56457	"2-[Hydroxy(pyridin-2-yl)methyl]-5-methylbenzene-1,4-diol"	385592	NSC676889; CHEMBL1985408; NSC-676889; NCI60_027315	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676889	.	.	.	.	231.25	C13H13NO3	73.6	249	1.9	17	3	4	2	"InChI=1S/C13H13NO3/c1-8-6-12(16)9(7-11(8)15)13(17)10-4-2-3-5-14-10/h2-7,13,15-17H,1H3"	CC1=CC(=C(C=C1O)C(C2=CC=CC=N2)O)O	GUBATRMIVDTBKK-UHFFFAOYSA-N
DG56458	"2-(4-Tert-butylphenyl)-6-chloro-3,1-benzoxazin-4-one"	385600	"NSC676897; CHEMBL329829; 2-(4-tert-butylphenyl)-6-chloro-3,1-benzoxazin-4-one; 2-(4-tert-Butylphenyl)-6-chloro-4H-3,1-benzoxazin-4-one; ZINC1646056; NSC-676897; NCI60_027323"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676897	.	.	.	.	313.8	C18H16ClNO2	38.7	460	5.2	22	0	3	2	"InChI=1S/C18H16ClNO2/c1-18(2,3)12-6-4-11(5-7-12)16-20-15-9-8-13(19)10-14(15)17(21)22-16/h4-10H,1-3H3"	CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=O)O2	PSSWQSOFGQZCMD-UHFFFAOYSA-N
DG56459	"2-(4-Tert-butylphenyl)-8-methoxy-3,1-benzoxazin-4-one"	385602	"NSC676899; 2-(4-tert-butylphenyl)-8-methoxy-3,1-benzoxazin-4-one; CHEMBL1974698; 2-(4-tert-Butylphenyl)-8-methoxy-4H-3,1-benzoxazin-4-one; ZINC1646057; NSC-676899; NCI60_027325"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676899	.	.	.	.	309.4	C19H19NO3	47.9	472	4.6	23	0	4	3	"InChI=1S/C19H19NO3/c1-19(2,3)13-10-8-12(9-11-13)17-20-16-14(18(21)23-17)6-5-7-15(16)22-4/h5-11H,1-4H3"	CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=CC=C3OC)C(=O)O2	BHKIGUCSAYVZDR-UHFFFAOYSA-N
DG56460	1-[m-Methyl anilino malonyl]-3-methyl-4-[4'-beta-sulphato ethyl sulphonyl phenyl azo]-5-pyrazolone	385611	NSC676916; 1-[m-methyl anilino malonyl]-3-methyl-4-[4'-.beta.-sulphato ethyl sulphonyl phenyl azo]-5-pyrazolone; CHEMBL1991658; NSC-676916; NCI60_027334; 2-[4-[(E)-[3-methyl-1-[3-(3-methylanilino)-3-oxo-propanoyl]-5-oxo-4H-pyrazol-4-yl]azo]phenyl]sulfonylethyl hydrogen sulfate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676916	.	.	.	.	565.6	C22H23N5O9S2	218	1170	1.6	38	2	12	10	"InChI=1S/C22H23N5O9S2/c1-14-4-3-5-17(12-14)23-19(28)13-20(29)27-22(30)21(15(2)26-27)25-24-16-6-8-18(9-7-16)37(31,32)11-10-36-38(33,34)35/h3-9,12,21H,10-11,13H2,1-2H3,(H,23,28)(H,33,34,35)"	CC1=CC(=CC=C1)NC(=O)CC(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O	GVZLFFMMHWPJBX-UHFFFAOYSA-N
DG56461	1-[m-Anisidic anilino malonyl]-3-methyl-4-[4'-beta-sulphato ethyl sulphonyl phenyl azo]-5-pyrazolone	385612	NSC676917; 1-[m-Anisidic anilino malonyl]-3-methyl-4-[4'-.beta.-sulphato ethyl sulphonyl phenyl azo]-5-pyrazolone; CHEMBL1981748; NSC-676917; NCI60_027335; 2-[4-[(E)-[1-[3-(3-methoxyanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]phenyl]sulfonylethyl hydrogen sulfate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676917	.	.	.	.	581.6	C22H23N5O10S2	227	1180	1.2	39	2	13	11	"InChI=1S/C22H23N5O10S2/c1-14-21(25-24-15-6-8-18(9-7-15)38(31,32)11-10-37-39(33,34)35)22(30)27(26-14)20(29)13-19(28)23-16-4-3-5-17(12-16)36-2/h3-9,12,21H,10-11,13H2,1-2H3,(H,23,28)(H,33,34,35)"	CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)C(=O)CC(=O)NC3=CC(=CC=C3)OC	LPUWLNVSEDDHLW-UHFFFAOYSA-N
DG56462	"4'-Methylthio-2,2':6',2''-terpyridine"	385621	"4'-methylthio-2,2':6',2''-terpyridine; 78570-35-1; 4'-(Methylthio)-2,2':6',2''-terpyridine; 4-methylsulfanyl-2,6-dipyridin-2-ylpyridine; NSC676944; 2,2':6',2''-Terpyridine,4'-(methylthio)-; SCHEMBL198407; CHEMBL2004945; ZINC1646063; MFCD06796990; AKOS030240046; NSC-676944; NCI60_027351; 4-methylsulfanyl-2,6-bis(2-pyridyl)pyridine; E10306; 2,2':6',2''-Terpyridine, 4'-(methylthio)-; J-400634"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676944	.	.	.	.	279.4	C16H13N3S	64	273	2.9	20	0	4	3	"InChI=1S/C16H13N3S/c1-20-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14/h2-11H,1H3"	CSC1=CC(=NC(=C1)C2=CC=CC=N2)C3=CC=CC=N3	QKGHDDGIUNCPCQ-UHFFFAOYSA-N
DG56463	"5-Amino-2-(2-thienyl)-1,3-oxazole-4-carbonitrile"	385626	"NSC676966; 5-Amino-2-(2-thienyl)-1,3-oxazole-4-carbonitrile; CHEMBL1982755; AKOS014776864; NSC-676966; NCI60_027358; 2-(2-Thienyl)-5-aminooxazole-4-carbonitrile; 5-amino-2-(2-thienyl)oxazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676966	.	.	.	.	191.21	C8H5N3OS	104	239	2	13	1	5	1	"InChI=1S/C8H5N3OS/c9-4-5-7(10)12-8(11-5)6-2-1-3-13-6/h1-3H,10H2"	C1=CSC(=C1)C2=NC(=C(O2)N)C#N	VWTYSDBXQIIJJT-UHFFFAOYSA-N
DG56464	"Methyl 2-((2,6-dimethoxyphenyl)ethynyl)-3-methoxybenzoate"	385627	"NSC676967; CHEMBL1971959; Methyl 2-((2,6-dimethoxyphenyl)ethynyl)-3-methoxybenzoate; NSC-676967; NCI60_027359; methyl 2-[2-(2,6-dimethoxyphenyl)ethynyl]-3-methoxy-benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676967	.	.	.	.	326.3	C19H18O5	54	465	3.7	24	0	5	7	"InChI=1S/C19H18O5/c1-21-16-8-5-7-14(19(20)24-4)13(16)11-12-15-17(22-2)9-6-10-18(15)23-3/h5-10H,1-4H3"	COC1=C(C(=CC=C1)OC)C#CC2=C(C=CC=C2OC)C(=O)OC	ZXCPIRNNOGPRIA-UHFFFAOYSA-N
DG56465	"6-Phenylpyrido[2,3-d]pyrimidine-2,4-diamine"	385628	"6-phenylpyrido[2,3-d]pyrimidine-2,4-diamine; NSC676974; CHEMBL2000189; ZINC1646073; NSC-676974; NCI60_027360; Pyrido[2,3-d]pyrimidine-2,4-diamine, 6-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676974	.	.	.	.	237.26	C13H11N5	90.7	279	1.7	18	2	5	1	"InChI=1S/C13H11N5/c14-11-10-6-9(8-4-2-1-3-5-8)7-16-12(10)18-13(15)17-11/h1-7H,(H4,14,15,16,17,18)"	C1=CC=C(C=C1)C2=CC3=C(N=C(N=C3N=C2)N)N	BMYJLCQMYCKQCH-UHFFFAOYSA-N
DG56466	5-(2-Carboxy-3-phenylpropyl)-4-indanecarboxylic acid	385635	NSC676982; 5-(2-Carboxy-3-phenylpropyl)-4-indanecarboxylic acid; CHEMBL1995396; NSC-676982; NCI60_027367; 5-(2-benzyl-3-hydroxy-3-oxo-propyl)indane-4-carboxylic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676982	.	.	.	.	324.4	C20H20O4	74.6	455	4	24	2	4	6	"InChI=1S/C20H20O4/c21-19(22)16(11-13-5-2-1-3-6-13)12-15-10-9-14-7-4-8-17(14)18(15)20(23)24/h1-3,5-6,9-10,16H,4,7-8,11-12H2,(H,21,22)(H,23,24)"	C1CC2=C(C1)C(=C(C=C2)CC(CC3=CC=CC=C3)C(=O)O)C(=O)O	KXCRPZPXYNKGOM-UHFFFAOYSA-N
DG56467	2-(2-Carboxy-3-(3-methylphenyl)propyl)-3-methylbenzoic acid	385639	NSC676986; CHEMBL2006412; 2-(2-Carboxy-3-(3-methylphenyl)propyl)-3-methylbenzoic acid; NSC-676986; NCI60_027371; 2-[3-hydroxy-2-(m-tolylmethyl)-3-oxo-propyl]-3-methyl-benzoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676986	.	.	.	.	312.4	C19H20O4	74.6	420	3.9	23	2	4	6	"InChI=1S/C19H20O4/c1-12-5-3-7-14(9-12)10-15(18(20)21)11-17-13(2)6-4-8-16(17)19(22)23/h3-9,15H,10-11H2,1-2H3,(H,20,21)(H,22,23)"	CC1=CC(=CC=C1)CC(CC2=C(C=CC=C2C(=O)O)C)C(=O)O	ICZRJOLIWLCKTE-UHFFFAOYSA-N
DG56468	Methyl 2-[3-methoxy-2-[(4-methylphenyl)methyl]-3-oxopropyl]-5-methylbenzoate	385640	NSC676987; CHEMBL1984033; NSC-676987; NCI60_027372	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676987	.	.	.	.	340.4	C21H24O4	52.6	439	4.6	25	0	4	8	"InChI=1S/C21H24O4/c1-14-5-8-16(9-6-14)12-18(20(22)24-3)13-17-10-7-15(2)11-19(17)21(23)25-4/h5-11,18H,12-13H2,1-4H3"	CC1=CC=C(C=C1)CC(CC2=C(C=C(C=C2)C)C(=O)OC)C(=O)OC	QVAOJWNFWVPXOP-UHFFFAOYSA-N
DG56469	Methyl 2-(3-methoxy-2-(2-methylbenzyl)-3-oxopropyl)-5-methylbenzoate	385641	NSC676988; CHEMBL1987639; Methyl 2-(3-methoxy-2-(2-methylbenzyl)-3-oxopropyl)-5-methylbenzoate; NSC-676988; NCI60_027373; methyl 2-[3-methoxy-2-(o-tolylmethyl)-3-oxo-propyl]-5-methyl-benzoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676988	.	.	.	.	340.4	C21H24O4	52.6	447	4.6	25	0	4	8	"InChI=1S/C21H24O4/c1-14-9-10-17(19(11-14)21(23)25-4)13-18(20(22)24-3)12-16-8-6-5-7-15(16)2/h5-11,18H,12-13H2,1-4H3"	CC1=CC(=C(C=C1)CC(CC2=CC=CC=C2C)C(=O)OC)C(=O)OC	CDVMJIHYSQQTGH-UHFFFAOYSA-N
DG56470	Methyl 2-(3-methoxy-2-(3-methylbenzyl)-3-oxopropyl)-5-methylbenzoate	385642	NSC676989; CHEMBL1978692; Methyl 2-(3-methoxy-2-(3-methylbenzyl)-3-oxopropyl)-5-methylbenzoate; NSC-676989; NCI60_027374; methyl 2-[3-methoxy-2-(m-tolylmethyl)-3-oxo-propyl]-5-methyl-benzoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676989	.	.	.	.	340.4	C21H24O4	52.6	447	4.6	25	0	4	8	"InChI=1S/C21H24O4/c1-14-6-5-7-16(10-14)12-18(20(22)24-3)13-17-9-8-15(2)11-19(17)21(23)25-4/h5-11,18H,12-13H2,1-4H3"	CC1=CC(=CC=C1)CC(CC2=C(C=C(C=C2)C)C(=O)OC)C(=O)OC	HVUQYOHRPAQDRZ-UHFFFAOYSA-N
DG56471	"3-(2-Carboxy-3-(5,6,7,8-tetrahydro-2-naphthalenyl)propyl)-5,6,7,8-tetrahydro-2-naphthalenecarboxylic acid"	385650	"NSC676996; CHEMBL1978481; NSC-676996; 3-(2-Carboxy-3-(5,6,7,8-tetrahydro-2-naphthalenyl)propyl)-5,6,7,8-tetrahydro-2-naphthalenecarboxylic acid; NCI60_027381; 7-[3-hydroxy-3-oxo-2-(tetralin-6-ylmethyl)propyl]tetralin-6-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676996	.	.	.	.	392.5	C25H28O4	74.6	587	6	29	2	4	6	"InChI=1S/C25H28O4/c26-24(27)22(12-16-9-10-17-5-1-2-6-18(17)11-16)14-21-13-19-7-3-4-8-20(19)15-23(21)25(28)29/h9-11,13,15,22H,1-8,12,14H2,(H,26,27)(H,28,29)"	C1CCC2=C(C1)C=CC(=C2)CC(CC3=C(C=C4CCCCC4=C3)C(=O)O)C(=O)O	YZRMWLUFTMMXJC-UHFFFAOYSA-N
DG56472	"2-(2-Carboxy-3-(5,6,7,8-tetrahydro-2-naphthalenyl)propyl)-5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid"	385652	"NSC676998; CHEMBL1984304; NSC-676998; 2-(2-Carboxy-3-(5,6,7,8-tetrahydro-2-naphthalenyl)propyl)-5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid; NCI60_027383; 6-[3-hydroxy-3-oxo-2-(tetralin-6-ylmethyl)propyl]tetralin-5-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676998	.	.	.	.	392.5	C25H28O4	74.6	587	6	29	2	4	6	"InChI=1S/C25H28O4/c26-24(27)21(14-16-9-10-17-5-1-2-7-19(17)13-16)15-20-12-11-18-6-3-4-8-22(18)23(20)25(28)29/h9-13,21H,1-8,14-15H2,(H,26,27)(H,28,29)"	C1CCC2=C(C1)C=CC(=C2)CC(CC3=C(C4=C(CCCC4)C=C3)C(=O)O)C(=O)O	AARDSHRCKCKLNM-UHFFFAOYSA-N
DG56473	"Methyl 2-(3-methoxy-3-oxo-2-(5,6,7,8-tetrahydro-2-naphthalenylmethyl)propyl)-5,6,7,8-tetrahydro-1-naphthalenecarboxylate"	385653	"NSC676999; CHEMBL1975227; NSC-676999; Methyl 2-(3-methoxy-3-oxo-2-(5,6,7,8-tetrahydro-2-naphthalenylmethyl)propyl)-5,6,7,8-tetrahydro-1-naphthalenecarboxylate; NCI60_027384; methyl 6-[3-methoxy-3-oxo-2-(tetralin-6-ylmethyl)propyl]tetralin-5-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676999	.	.	.	.	420.5	C27H32O4	52.6	616	6.6	31	0	4	8	"InChI=1S/C27H32O4/c1-30-26(28)23(16-18-11-12-19-7-3-4-9-21(19)15-18)17-22-14-13-20-8-5-6-10-24(20)25(22)27(29)31-2/h11-15,23H,3-10,16-17H2,1-2H3"	COC(=O)C1=C(C=CC2=C1CCCC2)CC(CC3=CC4=C(CCCC4)C=C3)C(=O)OC	GKFXMNJGHSNROE-UHFFFAOYSA-N
DG56474	"Methyl 2-(1,2,3,6,7,8-hexahydro-as-indacen-2-ylmethyl)benzoate"	385656	"NSC677002; Methyl 2-(1,2,3,6,7,8-hexahydro-as-indacen-2-ylmethyl)benzoate; CHEMBL2000001; NSC-677002; NCI60_027387"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677002	.	.	.	.	306.4	C21H22O2	26.3	432	5.1	23	0	2	4	"InChI=1S/C21H22O2/c1-23-21(22)19-7-3-2-5-16(19)11-14-12-17-10-9-15-6-4-8-18(15)20(17)13-14/h2-3,5,7,9-10,14H,4,6,8,11-13H2,1H3"	COC(=O)C1=CC=CC=C1CC2CC3=C(C2)C4=C(CCC4)C=C3	KKVDJLDHHJXSLH-UHFFFAOYSA-N
DG56475	"4-Acetylspiro[1,3-dihydroindene-2,2'-3,6,7,8-tetrahydro-as-indacene]-1'-one"	385657	"NSC677003; CHEMBL1986525; NSC-677003; NCI60_027388; 4'-acetylspiro[3,6,7,8-tetrahydro-as-indacene-2,2'-indane]-1-one; Spiro[as-indacene-2(1H),2'-[2H]inden]-1-one, 4'-acetyl-1',3,3',6,7,8-hexahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677003	.	.	.	.	316.4	C22H20O2	34.1	566	4	24	0	2	1	"InChI=1S/C22H20O2/c1-13(23)17-6-3-5-15-10-22(12-19(15)17)11-16-9-8-14-4-2-7-18(14)20(16)21(22)24/h3,5-6,8-9H,2,4,7,10-12H2,1H3"	CC(=O)C1=CC=CC2=C1CC3(C2)CC4=C(C3=O)C5=C(CCC5)C=C4	TXDJWBFUEXVKEI-UHFFFAOYSA-N
DG56476	"4-acetylspiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3,6,7,8-tetrahydro-as-indacene]-1'-one"	385658	"NSC677004; CHEMBL1967908; NSC-677004; 4-acetylspiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3,6,7,8-tetrahydro-as-indacene]-1'-one; NCI60_027389; Spiro[as-indacene-2(1H),2'(1'H)-[s]indacen]-1-one, 4'-acetyl-3,3',5',6,6',7,7',8-octahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677004	.	.	.	.	356.5	C25H24O2	34.1	667	4.9	27	0	2	1	"InChI=1S/C25H24O2/c1-14(26)22-20-7-3-5-16(20)10-18-12-25(13-21(18)22)11-17-9-8-15-4-2-6-19(15)23(17)24(25)27/h8-10H,2-7,11-13H2,1H3"	CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4=O)C6=C(CCC6)C=C5	ZASRJJAKDNQGAJ-UHFFFAOYSA-N
DG56477	"2,2'-Spirobi[2H-inden]-1(3H)-one, 1',3'-dihydro-"	385659	"NSC677005; 2,2'-Spirobiindanon; 2,2'-Spirobi[2H-inden]-1(3H)-one, 1',3'-dihydro-; CHEMBL1981118; 2,2'-spirobi[indane]-1'-one; DTXSID80327681; ZINC1646107; NSC-677005; 40932-30-7; NCI60_027390"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677005	.	.	.	.	234.29	C17H14O	17.1	345	3.5	18	0	1	0	"InChI=1S/C17H14O/c18-16-15-8-4-3-7-14(15)11-17(16)9-12-5-1-2-6-13(12)10-17/h1-8H,9-11H2"	C1C2=CC=CC=C2CC13CC4=CC=CC=C4C3=O	BAYHTRRWPFVBSU-UHFFFAOYSA-N
DG56478	"spiro[2,3,6,8-tetrahydro-1H-as-indacene-7,2'-3H-indene]-1'-one"	385660	"NSC677006; CHEMBL1996579; NSC-677006; NCI60_027391; spiro[2,3,6,8-tetrahydro-1H-as-indacene-7,2'-indane]-1'-one; Spiro[as-indacene-2(1H),2'-[2H]inden]-1'(3'H)-one, 3,6,7,8-tetrahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677006	.	.	.	.	274.4	C20H18O	17.1	455	4.3	21	0	1	0	"InChI=1S/C20H18O/c21-19-17-6-2-1-4-14(17)10-20(19)11-15-9-8-13-5-3-7-16(13)18(15)12-20/h1-2,4,6,8-9H,3,5,7,10-12H2"	C1CC2=C(C1)C3=C(CC4(C3)CC5=CC=CC=C5C4=O)C=C2	RAOGCCRJLUUWFS-UHFFFAOYSA-N
DG56479	"Methyl 1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate"	385664	"NSC677010; Methyl 1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate; CHEMBL1975460; ZINC1646112; NSC-677010; NCI60_027395"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677010	.	.	.	.	216.27	C14H16O2	26.3	267	2.9	16	0	2	2	"InChI=1S/C14H16O2/c1-16-14(15)13-7-11-5-9-3-2-4-10(9)6-12(11)8-13/h5-6,13H,2-4,7-8H2,1H3"	COC(=O)C1CC2=C(C1)C=C3CCCC3=C2	YBIYVDBNDKGACL-UHFFFAOYSA-N
DG56480	"Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-oxo-1,2,3,6,7,8-hexahydro-as-indacene-2-carboxylate"	385670	"NSC677016; MLS002702290; CHEMBL1700446; NSC-677016; Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-oxo-1,2,3,6,7,8-hexahydro-as-indacene-2-carboxylate; NCI60_027401; SMR001565852; methyl 2-(indan-5-ylmethyl)-1-oxo-3,6,7,8-tetrahydro-as-indacene-2-carboxylate; as-Indacene-2-carboxylic acid,2,3,6,7,8-hexahydro- 2-[(2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677016	.	.	.	.	360.4	C24H24O3	43.4	613	5.2	27	0	3	4	"InChI=1S/C24H24O3/c1-27-23(26)24(13-15-8-9-16-4-2-6-18(16)12-15)14-19-11-10-17-5-3-7-20(17)21(19)22(24)25/h8-12H,2-7,13-14H2,1H3"	COC(=O)C1(CC2=C(C1=O)C3=C(CCC3)C=C2)CC4=CC5=C(CCC5)C=C4	YKSOYPDYFJXGDF-UHFFFAOYSA-N
DG56481	Methyl 4-methyl-2-(4-methylbenzyl)-1-oxo-2-indanecarboxylate	385671	NSC677017; CHEMBL1969933; Methyl 4-methyl-2-(4-methylbenzyl)-1-oxo-2-indanecarboxylate; NSC-677017; NCI60_027402; methyl 4-methyl-1-oxo-2-(p-tolylmethyl)indane-2-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677017	.	.	.	.	308.4	C20H20O3	43.4	464	4.3	23	0	3	4	"InChI=1S/C20H20O3/c1-13-7-9-15(10-8-13)11-20(19(22)23-3)12-17-14(2)5-4-6-16(17)18(20)21/h4-10H,11-12H2,1-3H3"	CC1=CC=C(C=C1)CC2(CC3=C(C=CC=C3C2=O)C)C(=O)OC	ARTIHSBJXAJKOT-UHFFFAOYSA-N
DG56482	"Benzoic acid, 2-[1,3,4',5'-tetrahydro-1-oxospiro[2H-inden-2,3'-[3H]pyrazol]-4'-yl]-4-methyl-, methyl ester"	385674	"MLS002702538; NSC677020; SMR001566148; Benzoic acid, 2-[1,3,4',5'-tetrahydro-1-oxospiro[2H-inden- 2,3'-[3H]pyrazol]-4'-yl]-4-methyl-, methyl ester; cid_385674; CHEMBL1875849; BDBM93630; NSC-677020; Benzoic acid, 4-methyl-2-(1,3,4',5'-tetrahydro-5-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester; NCI60_027405; methyl 4-methyl-2-(5'-methyl-1'-oxo-spiro[3,4-dihydropyrazole-5,2'-indane]-4-yl)benzoate; 2-(1''-keto-5''-methyl-spiro[1-pyrazoline-3,2''-indane]-4-yl)-4-methyl-benzoic acid methyl ester; 4-methyl-2-(6-methyl-3-oxo-4''-spiro[1H-indene-2,5''-3,4-dihydropyrazole]yl)benzoic acid methyl ester; Benzoic acid,3,4',5'-tetrahydro-1-oxospiro[2H-inden- 2,3'-[3H]pyrazol]-4'-yl]-4-methyl-, methyl ester; methyl 4-methyl-2-(6-methyl-3-oxidanylidene-spiro[1H-indene-2,5''-3,4-dihydropyrazole]-4''-yl)benzoate; methyl 4-methyl-2-(6-methyl-3-oxospiro[1H-indene-2,5''-3,4-dihydropyrazole]-4''-yl)benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677020	.	.	.	.	348.4	C21H20N2O3	68.1	618	3.9	26	0	5	3	"InChI=1S/C21H20N2O3/c1-12-4-6-15-14(8-12)10-21(19(15)24)18(11-22-23-21)17-9-13(2)5-7-16(17)20(25)26-3/h4-9,18H,10-11H2,1-3H3"	CC1=CC2=C(C=C1)C(=O)C3(C2)C(CN=N3)C4=C(C=CC(=C4)C)C(=O)OC	NKARWVSZUPOVCS-UHFFFAOYSA-N
DG56483	"Benzoic acid, 2-(1,3,4',5'-tetrahydro-5-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester"	385680	"NSC677026; CHEMBL1990377; NSC-677026; Benzoic acid, 2-(1,3,4',5'-tetrahydro-5-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester; NCI60_027411; methyl 2-(5'-methyl-1'-oxo-spiro[3,4-dihydropyrazole-5,2'-indane]-4-yl)benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677026	.	.	.	.	334.4	C20H18N2O3	68.1	590	3.5	25	0	5	3	"InChI=1S/C20H18N2O3/c1-12-7-8-14-13(9-12)10-20(18(14)23)17(11-21-22-20)15-5-3-4-6-16(15)19(24)25-2/h3-9,17H,10-11H2,1-2H3"	CC1=CC2=C(C=C1)C(=O)C3(C2)C(CN=N3)C4=CC=CC=C4C(=O)OC	CJZCUSBPXSVKOP-UHFFFAOYSA-N
DG56484	"Benzoic acid, 4-methyl-2-(1,3,4',5'-tetrahydro-4-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester"	385682	"NSC677028; CHEMBL2006495; NSC-677028; Benzoic acid, 4-methyl-2-(1,3,4',5'-tetrahydro-4-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester; NCI60_027413; methyl 4-methyl-2-(4'-methyl-1'-oxo-spiro[3,4-dihydropyrazole-5,2'-indane]-4-yl)benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677028	.	.	.	.	348.4	C21H20N2O3	68.1	618	3.9	26	0	5	3	"InChI=1S/C21H20N2O3/c1-12-7-8-15(20(25)26-3)16(9-12)18-11-22-23-21(18)10-17-13(2)5-4-6-14(17)19(21)24/h4-9,18H,10-11H2,1-3H3"	CC1=CC(=C(C=C1)C(=O)OC)C2CN=NC23CC4=C(C=CC=C4C3=O)C	QOPOHVVONYFKAE-UHFFFAOYSA-N
DG56485	"Methyl 2-(6-oxospiro[1,2,3,8-tetrahydro-as-indacene-7,5'-3,4-dihydropyrazole]-4'-yl)benzoate"	385687	"NSC677033; CHEMBL1977194; NSC-677033; methyl 2-(6-oxospiro[1,2,3,8-tetrahydro-as-indacene-7,5'-3,4-dihydropyrazole]-4'-yl)benzoate; NCI60_027418; Benzoic acid, 2-(3,4',5',6,7,8-hexahydro-3-oxospiro[as-indacene-2(1H),3'-[3H]pyrazol]-4'-yl)-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677033	.	.	.	.	360.4	C22H20N2O3	68.1	662	4	27	0	5	3	"InChI=1S/C22H20N2O3/c1-27-21(26)17-7-3-2-6-15(17)19-12-23-24-22(19)11-18-14-8-4-5-13(14)9-10-16(18)20(22)25/h2-3,6-7,9-10,19H,4-5,8,11-12H2,1H3"	COC(=O)C1=CC=CC=C1C2CN=NC23CC4=C(C3=O)C=CC5=C4CCC5	BEVZCKSDDOQXIV-UHFFFAOYSA-N
DG56486	"Methyl 4-methyl-2-((6-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate"	385695	"NSC677041; CHEMBL1983197; NSC-677041; Methyl 4-methyl-2-((6-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate; NCI60_027426; methyl 4-methyl-2-[(6-methyl-1-oxo-indan-2-yl)methyl]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677041	.	.	.	.	308.4	C20H20O3	43.4	458	4.2	23	0	3	4	"InChI=1S/C20H20O3/c1-12-5-7-17(20(22)23-3)15(8-12)11-16-10-14-6-4-13(2)9-18(14)19(16)21/h4-9,16H,10-11H2,1-3H3"	CC1=CC(=C(C=C1)C(=O)OC)CC2CC3=C(C2=O)C=C(C=C3)C	HJGINFZMIWBFAQ-UHFFFAOYSA-N
DG56487	Methyl 4-methyl-2-[(7-methyl-1-oxo-indan-2-yl)methyl]benzoate	385697	"NSC677043; CHEMBL1966123; NSC-677043; NCI60_027428; methyl 4-methyl-2-[(7-methyl-1-oxo-indan-2-yl)methyl]benzoate; Methyl 4-methyl-2-((7-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677043	.	.	.	.	308.4	C20H20O3	43.4	458	4.2	23	0	3	4	"InChI=1S/C20H20O3/c1-12-7-8-17(20(22)23-3)15(9-12)11-16-10-14-6-4-5-13(2)18(14)19(16)21/h4-9,16H,10-11H2,1-3H3"	CC1=CC(=C(C=C1)C(=O)OC)CC2CC3=CC=CC(=C3C2=O)C	DVUKZJNVUYOLOY-UHFFFAOYSA-N
DG56488	"Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-hydroxy-1,2,3,6,7,8-hexahydro-as-indacene-2-carboxylate"	385704	"NSC677050; CHEMBL1986067; NSC-677050; Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-hydroxy-1,2,3,6,7,8-hexahydro-as-indacene-2-carboxylate; NCI60_027435; methyl 1-hydroxy-2-(indan-5-ylmethyl)-3,6,7,8-tetrahydro-1H-as-indacene-2-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677050	.	.	.	.	362.5	C24H26O3	46.5	574	5	27	1	3	4	"InChI=1S/C24H26O3/c1-27-23(26)24(13-15-8-9-16-4-2-6-18(16)12-15)14-19-11-10-17-5-3-7-20(17)21(19)22(24)25/h8-12,22,25H,2-7,13-14H2,1H3"	COC(=O)C1(CC2=C(C1O)C3=C(CCC3)C=C2)CC4=CC5=C(CCC5)C=C4	OWCFGVVLNAWNMG-UHFFFAOYSA-N
DG56489	"methyl 2-(indan-5-ylmethyl)-3,6,7,8-tetrahydro-1H-as-indacene-2-carboxylate"	385705	"NSC677051; CHEMBL1998734; NSC-677051; NCI60_027436; methyl 2-(indan-5-ylmethyl)-3,6,7,8-tetrahydro-1H-as-indacene-2-carboxylate; Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,2,3,6,7,8-hexahydro-as-indacene-2-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677051	.	.	.	.	346.5	C24H26O2	26.3	542	5.5	26	0	2	4	"InChI=1S/C24H26O2/c1-26-23(25)24(13-16-8-9-17-4-2-6-19(17)12-16)14-20-11-10-18-5-3-7-21(18)22(20)15-24/h8-12H,2-7,13-15H2,1H3"	COC(=O)C1(CC2=C(C1)C3=C(CCC3)C=C2)CC4=CC5=C(CCC5)C=C4	CLTWCRYMQAXOCP-UHFFFAOYSA-N
DG56490	"5-(hydroxymethyl)spiro[1,3-dihydroindene-2,2'-3,5,6,7-tetrahydro-1H-s-indacene]-1'-ol"	385707	"NSC677053; CHEMBL1990841; NSC-677053; NCI60_027438; Spiro[s-indacene-2(1H), 3,5,6,7,1',3'-hexahydro-5-(hydroxymethyl)-; 5'-(hydroxymethyl)spiro[3,5,6,7-tetrahydro-1H-s-indacene-2,2'-indane]-1-ol; Spiro[s-indacene-2(1H),2'-[2H]indene]-5'-methanol, 1',3,3',5,6,7-hexahydro-1-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677053	.	.	.	.	306.4	C21H22O2	40.5	463	3.2	23	2	2	1	"InChI=1S/C21H22O2/c22-12-13-4-5-16-9-21(10-17(16)6-13)11-18-7-14-2-1-3-15(14)8-19(18)20(21)23/h4-8,20,22-23H,1-3,9-12H2"	C1CC2=CC3=C(C=C2C1)C(C4(C3)CC5=C(C4)C=C(C=C5)CO)O	BSHZCNKXGSJSNV-UHFFFAOYSA-N
DG56491	"spiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-indane]-5'-ylmethanol"	385712	"NSC677058; CHEMBL1997560; ZINC1646189; NSC-677058; NCI60_027443; spiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-indane]-5'-ylmethanol; Spiro[s-indacene-2(1H),2'-[2H]indene]-5'-methanol, 1',3,3',5,6,7-hexahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677058	.	.	.	.	290.4	C21H22O	20.2	410	4.3	22	1	1	1	"InChI=1S/C21H22O/c22-13-14-4-5-17-9-21(10-18(17)6-14)11-19-7-15-2-1-3-16(15)8-20(19)12-21/h4-8,22H,1-3,9-13H2"	C1CC2=CC3=C(CC4(C3)CC5=C(C4)C=C(C=C5)CO)C=C2C1	ZBXMCBFBKYQYGL-UHFFFAOYSA-N
DG56492	"methyl 8-oxospiro[1,2,3,6-tetrahydro-as-indacene-7,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate"	385719	"NSC677065; CHEMBL1993735; NSC-677065; methyl 8-oxospiro[1,2,3,6-tetrahydro-as-indacene-7,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate; NCI60_027450; Spiro[as-indacene-2(1H), 3,6,7,8,3',5',6',7'-octahydro- 1-oxo-, methyl ester; Spiro[as-indacene-2(1H),2'(1'H)-[s]indacene]-4'-carboxylic acid, 3,3',5',6,6',7,7',8-octahydro-1-oxo-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677065	.	.	.	.	372.5	C25H24O3	43.4	685	5	28	0	3	2	"InChI=1S/C25H24O3/c1-28-24(27)22-19-7-3-5-15(19)10-17-12-25(13-20(17)22)11-16-9-8-14-4-2-6-18(14)21(16)23(25)26/h8-10H,2-7,11-13H2,1H3"	COC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4=O)C6=C(CCC6)C=C5	JYSSUGUBXSEPIN-UHFFFAOYSA-N
DG56493	"spiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-1H-as-indacene]-5-carbaldehyde"	385720	"NSC677066; CHEMBL1989444; NSC-677066; NCI60_027451; spiro[2,3,6,8-tetrahydro-1H-as-indacene-7,2'-indane]-5'-carbaldehyde; Spiro[as-indacene-2(1H),2'-[2H]indene]-5'-carboxaldehyde, 1',3,3',6,7,8-hexahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677066	.	.	.	.	288.4	C21H20O	17.1	457	4.6	22	0	1	1	"InChI=1S/C21H20O/c22-13-14-4-5-16-9-21(11-18(16)8-14)10-17-7-6-15-2-1-3-19(15)20(17)12-21/h4-8,13H,1-3,9-12H2"	C1CC2=C(C1)C3=C(CC4(C3)CC5=C(C4)C=C(C=C5)C=O)C=C2	HVSQZGPCUBWINN-UHFFFAOYSA-N
DG56494	"methyl spiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-1H-as-indacene]-5-carboxylate"	385725	"NSC677072; CHEMBL1993487; NSC-677072; NCI60_027456; methyl spiro[2,3,6,8-tetrahydro-1H-as-indacene-7,2'-indane]-5'-carboxylate; Spiro[as-indacene-2(1H),2'-[2H]indene]-5'-carboxylic acid, 1',3,3',6,7,8-hexahydro-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677072	.	.	.	.	318.4	C22H22O2	26.3	514	5	24	0	2	2	"InChI=1S/C22H22O2/c1-24-21(23)15-6-7-16-10-22(12-18(16)9-15)11-17-8-5-14-3-2-4-19(14)20(17)13-22/h5-9H,2-4,10-13H2,1H3"	COC(=O)C1=CC2=C(CC3(C2)CC4=C(C3)C5=C(CCC5)C=C4)C=C1	OYUWKPJKIIXVBL-UHFFFAOYSA-N
DG56495	"2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 6,7'-dimethyl-"	385727	"NSC677074; CHEMBL1993852; 2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 6,7'-dimethyl-; NSC-677074; NCI60_027458; 6',7-dimethyl-2,2'-spirobi[indane]-1,1'-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677074	.	.	.	.	276.3	C19H16O2	34.1	482	4	21	0	2	0	"InChI=1S/C19H16O2/c1-11-6-7-13-9-19(17(20)15(13)8-11)10-14-5-3-4-12(2)16(14)18(19)21/h3-8H,9-10H2,1-2H3"	CC1=CC2=C(CC3(C2=O)CC4=CC=CC(=C4C3=O)C)C=C1	UNAGLJYTOBGKMU-UHFFFAOYSA-N
DG56496	"2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 6-methyl-"	385729	"NSC677076; CHEMBL1993393; 2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 6-methyl-; NSC-677076; NCI60_027460; 6'-methyl-2,2'-spirobi[indane]-1,1'-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677076	.	.	.	.	262.3	C18H14O2	34.1	454	3.6	20	0	2	0	"InChI=1S/C18H14O2/c1-11-6-7-13-10-18(17(20)15(13)8-11)9-12-4-2-3-5-14(12)16(18)19/h2-8H,9-10H2,1H3"	CC1=CC2=C(CC3(C2=O)CC4=CC=CC=C4C3=O)C=C1	PRJYHNITQCDTKY-UHFFFAOYSA-N
DG56497	"N-(3,4,5-Trimethoxybenzyl)-3-phenyl-7-(trifluoromethyl)quinoxalin-2-amine"	385738	"NSC677089; CHEMBL1982285; NSC-677089; NCI60_027469; N-(3,4,5-Trimethoxybenzyl)-3-phenyl-7-(trifluoromethyl)quinoxalin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677089	.	.	.	.	469.5	C25H22F3N3O3	65.5	620	5.5	34	1	9	7	"InChI=1S/C25H22F3N3O3/c1-32-20-11-15(12-21(33-2)23(20)34-3)14-29-24-22(16-7-5-4-6-8-16)30-18-10-9-17(25(26,27)28)13-19(18)31-24/h4-13H,14H2,1-3H3,(H,29,31)"	COC1=CC(=CC(=C1OC)OC)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4	HHFPFOSTURBWLV-UHFFFAOYSA-N
DG56498	"N-(3,4-Dichlorobenzyl)-3-methyl-7-(trifluoromethyl)quinoxalin-2-amine"	385740	"NSC677091; CHEMBL1966112; NSC-677091; NCI60_027471; N-(3,4-Dichlorobenzyl)-3-methyl-7-(trifluoromethyl)quinoxalin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677091	.	.	.	.	386.2	C17H12Cl2F3N3	37.8	451	5.6	25	1	6	3	"InChI=1S/C17H12Cl2F3N3/c1-9-16(23-8-10-2-4-12(18)13(19)6-10)25-15-7-11(17(20,21)22)3-5-14(15)24-9/h2-7H,8H2,1H3,(H,23,25)"	CC1=C(N=C2C=C(C=CC2=N1)C(F)(F)F)NCC3=CC(=C(C=C3)Cl)Cl	NWQSAZBYWQUMCN-UHFFFAOYSA-N
DG56499	4-[[3-(2-Thienyl)quinoxalin-2-yl]amino]benzoic acid ethyl ester	385744	NSC677095; CHEMBL1998225; ZINC01646712; NSC-677095; NCI60_027475; 4-[[3-(2-Thienyl)quinoxalin-2-yl]amino]benzoic acid ethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677095	.	.	.	.	375.4	C21H17N3O2S	92.4	498	4.7	27	1	6	6	"InChI=1S/C21H17N3O2S/c1-2-26-21(25)14-9-11-15(12-10-14)22-20-19(18-8-5-13-27-18)23-16-6-3-4-7-17(16)24-20/h3-13H,2H2,1H3,(H,22,24)"	CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4	APZHKWUYQRGXRW-UHFFFAOYSA-N
DG56500	"9-((4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazono)-10-methyl-9,10-dihydroacridine"	385773	"NSC677167; CHEMBL1996603; NSC-677167; 9-((4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazono)-10-methyl-9,10-dihydroacridine; NCI60_027505; 1-[4-[2-(10-methylacridin-9-ylidene)hydrazino]phenyl]sulfonylguanidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677167	.	.	.	.	420.5	C21H20N6O2S	135	739	3.3	30	3	6	4	"InChI=1S/C21H20N6O2S/c1-27-18-8-4-2-6-16(18)20(17-7-3-5-9-19(17)27)25-24-14-10-12-15(13-11-14)30(28,29)26-21(22)23/h2-13,24H,1H3,(H4,22,23,26)"	CN1C2=CC=CC=C2C(=NNC3=CC=C(C=C3)S(=O)(=O)N=C(N)N)C4=CC=CC=C41	DPSMWGHJGBYYMX-UHFFFAOYSA-N
DG56501	9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)acridine	385775	NSC677169; CHEMBL1989967; 9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)acridine; NSC-677169; NCI60_027507; 1-[4-(2-acridin-9-ylhydrazino)phenyl]sulfonylguanidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677169	.	.	.	.	406.5	C20H18N6O2S	144	660	3.4	29	4	6	5	"InChI=1S/C20H18N6O2S/c21-20(22)26-29(27,28)14-11-9-13(10-12-14)24-25-19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1-12,24H,(H,23,25)(H4,21,22,26)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N	HJAFBKVABNXWAN-UHFFFAOYSA-N
DG56502	"N-(4,6-dimethylpyrimidin-2-yl)-4-[2-(9-oxo-10H-acridine-4-carbonyl)hydrazino]benzenesulfonamide"	385777	"NSC677171; CHEMBL1978076; NSC-677171; NCI60_027509; N-(4,6-Dimethyl-2-pyrimidinyl)-4-(2-((9-oxo-9,10-dihydro-4-acridinyl)carbonyl)hydrazino)benzenesulfonamide; N-(4,6-dimethylpyrimidin-2-yl)-4-[2-(9-oxo-10H-acridine-4-carbonyl)hydrazino]benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677171	.	.	.	.	514.6	C26H22N6O4S	151	924	4.1	37	4	9	6	"InChI=1S/C26H22N6O4S/c1-15-14-16(2)28-26(27-15)32-37(35,36)18-12-10-17(11-13-18)30-31-25(34)21-8-5-7-20-23(21)29-22-9-4-3-6-19(22)24(20)33/h3-14,30H,1-2H3,(H,29,33)(H,31,34)(H,27,28,32)"	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC(=O)C3=CC=CC4=C3NC5=CC=CC=C5C4=O)C	QULAJEOLRFQNKG-UHFFFAOYSA-N
DG56503	N-(4-sulfamoylphenyl)-9-[2-(4-sulfamoylphenyl)hydrazino]acridine-4-carboxamide	385780	NSC677174; CHEMBL1979033; NSC-677174; NCI60_027512; N-(4-(Aminosulfonyl)phenyl)-9-(2-(4-(aminosulfonyl)phenyl)hydrazino)-4-acridinecarboxamide; N-(4-sulfamoylphenyl)-9-[2-(4-sulfamoylphenyl)hydrazino]acridine-4-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677174	.	.	.	.	562.6	C26H22N6O5S2	203	1060	3.3	39	5	10	7	"InChI=1S/C26H22N6O5S2/c27-38(34,35)18-12-8-16(9-13-18)29-26(33)22-6-3-5-21-24(22)30-23-7-2-1-4-20(23)25(21)32-31-17-10-14-19(15-11-17)39(28,36)37/h1-15,31H,(H,29,33)(H,30,32)(H2,27,34,35)(H2,28,36,37)"	C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)NNC5=CC=C(C=C5)S(=O)(=O)N	QQSKZGNXDLBLBX-UHFFFAOYSA-N
DG56504	"9-[2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazino]-N-(4-sulfamoylphenyl)acridine-4-carboxamide"	385781	"NSC677175; CHEMBL1983385; NSC-677175; NCI60_027513; 9-[2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazino]-N-(4-sulfamoylphenyl)acridine-4-carboxamide; N-(4-(Aminosulfonyl)phenyl)-9-(2-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)hydrazino)-4-acridinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677175	.	.	.	.	668.7	C32H28N8O5S2	215	1270	4.7	47	5	12	9	"InChI=1S/C32H28N8O5S2/c1-19-18-20(2)35-32(34-19)40-47(44,45)24-16-12-22(13-17-24)38-39-30-25-6-3-4-9-28(25)37-29-26(30)7-5-8-27(29)31(41)36-21-10-14-23(15-11-21)46(33,42)43/h3-18,38H,1-2H3,(H,36,41)(H,37,39)(H2,33,42,43)(H,34,35,40)"	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N)C	KEBNCKUSOZYVCY-UHFFFAOYSA-N
DG56505	"N-[4-(carbamimidoylsulfamoyl)phenyl]-9-[2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazino]acridine-4-carboxamide"	385787	"NSC677181; CHEMBL1975413; NSC-677181; NCI60_027519; N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(2-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)hydrazino)-4-acridinecarboxamide; N-[4-(carbamimidoylsulfamoyl)phenyl]-9-[2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazino]acridine-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677181	.	.	.	.	710.8	C33H30N10O5S2	253	1390	4.2	50	6	12	10	"InChI=1S/C33H30N10O5S2/c1-19-18-20(2)37-33(36-19)43-50(47,48)24-16-12-22(13-17-24)40-41-30-25-6-3-4-9-28(25)39-29-26(30)7-5-8-27(29)31(44)38-21-10-14-23(15-11-21)49(45,46)42-32(34)35/h3-18,40H,1-2H3,(H,38,44)(H,39,41)(H4,34,35,42)(H,36,37,43)"	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)C	RFIKRDGAZUMLKQ-UHFFFAOYSA-N
DG56506	9-[2-[4-(carbamimidoylsulfamoyl)phenyl]hydrazino]-N-(4-sulfamoylphenyl)acridine-4-carboxamide	385790	NSC677184; CHEMBL1991945; NSC-677184; NCI60_027522; 9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)-N-(4-(aminosulfonyl)phenyl)-4-acridinecarboxamide; 9-[2-[4-(carbamimidoylsulfamoyl)phenyl]hydrazino]-N-(4-sulfamoylphenyl)acridine-4-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677184	.	.	.	.	604.7	C27H24N8O5S2	242	1180	2.8	42	6	10	8	"InChI=1S/C27H24N8O5S2/c28-27(29)35-42(39,40)19-14-10-17(11-15-19)33-34-25-20-4-1-2-7-23(20)32-24-21(25)5-3-6-22(24)26(36)31-16-8-12-18(13-9-16)41(30,37)38/h1-15,33H,(H,31,36)(H,32,34)(H4,28,29,35)(H2,30,37,38)"	C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)NNC5=CC=C(C=C5)S(=O)(=O)N=C(N)N	SMJMGMGHNLLSHD-UHFFFAOYSA-N
DG56507	"2,6,3,5-Ethanediylidenepentaleno(1,6-bc)pyrrole-2,6a(1H,2aH)-diamine, hexahydro-N,N',1-tris(phenylmethyl)-"	385839	"NSC677236; 174078-12-7; 2,6,3,5-Ethanediylidenepentaleno(1,6-bc)pyrrole-2,6a(1H,2aH)-diamine, hexahydro-N,N',1-tris(phenylmethyl)-; KB7ESM2HFS; UNII-KB7ESM2HFS; 2,6,3,5-Ethanediylidenepentaleno[1,6-bc]pyrrole-2,6a(1H,2aH)-diamine, hexahydro-N,N',1-tris(phenylmethyl)-; NSC 677236; N,N-tribenzyl[ ]diamine; CHEMBL1978832; NSC-677236; NCI60_027556; 2,3,5-Ethanediylidenepentaleno[1,6-bc]pyrrole- 2,6a(1H,2aH)-diamine, hexahydro-N,N',1-tris(phenylmethyl)-; Hexahydro-N,N',1-tris(phenylmethyl)-2,6,3,5-ethanediylidenepentaleno(1,6-bc)pyrrole-2,6a(1H,2ah)-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677236	.	.	.	.	459.6	C32H33N3	27.3	782	5.1	35	2	3	8	"InChI=1S/C32H33N3/c1-4-10-20(11-5-1)17-33-31-27-23-16-24-26-25(23)29(31)30(26)32(28(24)27,34-18-21-12-6-2-7-13-21)35(31)19-22-14-8-3-9-15-22/h1-15,23-30,33-34H,16-19H2/t23 ,24 ,25 ,26 ,27 ,28 ,29 ,30 ,31-,32+"	C1C2C3C4C1C5C2[C@@]6(C3C4[C@]5(N6CC7=CC=CC=C7)NCC8=CC=CC=C8)NCC9=CC=CC=C9	XJBLVGYTMDTSJO-KDXRBOGYSA-N
DG56508	"2,4(1H,3H)-Pyrimidinedione, 6-[(3,5-dimethylphenyl)amino]-"	385853	"NSC677252; CHEMBL331962; Oprea1_012778; 6-(3,5-dimethylphenylamino)uracil; 2,4(1H,3H)-Pyrimidinedione, 6-[(3,5-dimethylphenyl)amino]-; BDBM50028347; NSC-677252; 72255-71-1; NCI60_027571; 6-(3,5-Dimethylanilino)-2,4-pyrimidinediol; 6-(3,5-dimethylanilino)pyrimidine-2,4-diol; 6-(3,5-Dimethyl-phenylamino)-1H-pyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677252	.	.	.	.	231.25	C12H13N3O2	70.2	355	1.5	17	3	3	2	"InChI=1S/C12H13N3O2/c1-7-3-8(2)5-9(4-7)13-10-6-11(16)15-12(17)14-10/h3-6H,1-2H3,(H3,13,14,15,16,17)"	CC1=CC(=CC(=C1)NC2=CC(=O)NC(=O)N2)C	SAERFYPCWUUCPT-UHFFFAOYSA-N
DG56509	"6-((3,4-Dimethylphenyl)diazenyl)-2,4-pyrimidinediol"	385857	"NSC677256; 6-((3,4-Dimethylphenyl)diazenyl)-2,4-pyrimidinediol; CHEMBL2007315; NSC-677256; NCI60_027575; 6-[(E)-(3,4-dimethylphenyl)azo]pyrimidine-2,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677256	.	.	.	.	244.25	C12H12N4O2	82.9	416	1.7	18	2	4	2	"InChI=1S/C12H12N4O2/c1-7-3-4-9(5-8(7)2)15-16-10-6-11(17)14-12(18)13-10/h3-6H,1-2H3,(H2,13,14,17,18)"	CC1=C(C=C(C=C1)N=NC2=CC(=O)NC(=O)N2)C	IUARPJOOFZMFQC-UHFFFAOYSA-N
DG56510	"N-[4-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)hydrazino]phenyl]acetamide"	385867	"NSC677266; CHEMBL1969513; NSC-677266; NCI60_027585; N-[4-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)hydrazino]phenyl]acetamide; N-(4-(2-(1-Methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)hydrazino)phenyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677266	.	.	.	.	289.29	C13H15N5O3	103	468	0.5	21	4	5	4	"InChI=1S/C13H15N5O3/c1-8(19)14-9-3-5-10(6-4-9)16-17-11-7-12(20)18(2)13(21)15-11/h3-7,16-17H,1-2H3,(H,14,19)(H,15,21)"	CC(=O)NC1=CC=C(C=C1)NNC2=CC(=O)N(C(=O)N2)C	MIADRJYTWABRAR-UHFFFAOYSA-N
DG56511	"6-(2-(4-Bromophenyl)hydrazino)-3-methyl-2,4(1H,3H)-pyrimidinedione"	385869	"NSC677268; CHEMBL1995042; 6-(2-(4-Bromophenyl)hydrazino)-3-methyl-2,4(1H,3H)-pyrimidinedione; NSC-677268; NCI60_027587; 6-[2-(4-bromophenyl)hydrazino]-3-methyl-1H-pyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677268	.	.	.	.	311.13	C11H11BrN4O2	73.5	377	2	18	3	4	3	"InChI=1S/C11H11BrN4O2/c1-16-10(17)6-9(13-11(16)18)15-14-8-4-2-7(12)3-5-8/h2-6,14-15H,1H3,(H,13,18)"	CN1C(=O)C=C(NC1=O)NNC2=CC=C(C=C2)Br	OUHPTPPFKGQXKQ-UHFFFAOYSA-N
DG56512	"6-(2-Benzylhydrazino)-2,4-pyrimidinediol"	385870	"NSC677269; 6-(2-Benzylhydrazino)-2,4-pyrimidinediol; CHEMBL1965324; NSC-677269; NCI60_027588; 6-(2-benzylhydrazino)pyrimidine-2,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677269	.	.	.	.	232.24	C11H12N4O2	82.3	334	0.5	17	4	4	4	"InChI=1S/C11H12N4O2/c16-10-6-9(13-11(17)14-10)15-12-7-8-4-2-1-3-5-8/h1-6,12H,7H2,(H3,13,14,15,16,17)"	C1=CC=C(C=C1)CNNC2=CC(=O)NC(=O)N2	PYDBSZDGYZQQII-UHFFFAOYSA-N
DG56513	"6-(2-(3,4-Dichlorophenyl)hydrazino)-3-methyl-2,4(1H,3H)-pyrimidinedione"	385871	"NSC677271; CHEMBL1970450; 6-(2-(3,4-Dichlorophenyl)hydrazino)-3-methyl-2,4(1H,3H)-pyrimidinedione; NSC-677271; NCI60_027590; 6-[2-(3,4-dichlorophenyl)hydrazino]-3-methyl-1H-pyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677271	.	.	.	.	301.13	C11H10Cl2N4O2	73.5	416	2.5	19	3	4	3	"InChI=1S/C11H10Cl2N4O2/c1-17-10(18)5-9(14-11(17)19)16-15-6-2-3-7(12)8(13)4-6/h2-5,15-16H,1H3,(H,14,19)"	CN1C(=O)C=C(NC1=O)NNC2=CC(=C(C=C2)Cl)Cl	FAOJFOCQYMFFCE-UHFFFAOYSA-N
DG56514	"3-methyl-6-[(2-phenylethyl)amino]pyrimidine-2,4(1H,3H)-dione"	385872	"NSC677272; 3-methyl-6-[(2-phenylethyl)amino]pyrimidine-2,4(1H,3H)-dione; 61080-66-8; CBMicro_012158; Oprea1_537394; Oprea1_650571; MLS000108159; 3-Methyl-6-phenethylamino-1H-pyrimidine-2,4-dione; 3-methyl-6-(phenethylamino)-1H-pyrimidine-2,4-dione; CHEMBL1360605; DTXSID60327684; HMS2169J13; HMS3322E07; SMSF0007467; MFCD01166585; STK089423; ZINC18137901; AKOS000715167; CB15657; MCULE-5132031606; NSC-677272; NCI60_027591; SMR000104121; BIM-0012105.P001; SR-01000520700; SR-01000520700-1; BRD-K82327040-001-07-0; 3-Methyl-6-((2-phenylethyl)amino)-2,4(1H,3H)-pyrimidinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677272	.	.	.	.	245.28	C13H15N3O2	61.4	359	1.4	18	2	3	4	"InChI=1S/C13H15N3O2/c1-16-12(17)9-11(15-13(16)18)14-8-7-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H,15,18)"	CN1C(=O)C=C(NC1=O)NCCC2=CC=CC=C2	JQGUTCXSMSQWOD-UHFFFAOYSA-N
DG56515	"Uracil, 3-methyl-6-(phenylhydrazino)-"	385874	"NSC677274; Uracil, 3-methyl-6-(phenylhydrazino)-; CHEMBL1986534; 3-Methyl-6-(2-phenylhydrazino)-2,4(1H,3H)-pyrimidinedione; 3-methyl-6-(phenylhydrazino)uracil; DNDI1416957; NSC-677274; NCI60_027593; 3-methyl-6-(2-phenylhydrazino)-1H-pyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677274	.	.	.	.	232.24	C11H12N4O2	73.5	347	1.3	17	3	4	3	"InChI=1S/C11H12N4O2/c1-15-10(16)7-9(12-11(15)17)14-13-8-5-3-2-4-6-8/h2-7,13-14H,1H3,(H,12,17)"	CN1C(=O)C=C(NC1=O)NNC2=CC=CC=C2	NFBSQDDMUNRPKD-UHFFFAOYSA-N
DG56516	"1-Methyl-6-(2-phenylhydrazino)-2,4(1H,3H)-pyrimidinedione"	385875	"NSC677275; CHEMBL1981557; 1-Methyl-6-(2-phenylhydrazino)-2,4(1H,3H)-pyrimidinedione; NSC-677275; NCI60_027594; 1-methyl-6-(2-phenylhydrazino)pyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677275	.	.	.	.	232.24	C11H12N4O2	73.5	347	1.3	17	3	4	3	"InChI=1S/C11H12N4O2/c1-15-9(7-10(16)12-11(15)17)14-13-8-5-3-2-4-6-8/h2-7,13-14H,1H3,(H,12,16,17)"	CN1C(=CC(=O)NC1=O)NNC2=CC=CC=C2	PLRXHDHDDVWXKA-UHFFFAOYSA-N
DG56517	6-(1-Methylhydrazino)uracil	385876	"NSC677276; 6-(1-methylhydrazino)uracil; 6-(1-Methylhydrazino)-2,4-pyrimidinediol; SCHEMBL2181657; 6-(1-methyl-hydrazino)-uracil; CHEMBL1976577; NSC-677276; 68558-26-9; NCI60_027595; 6-[amino(methyl)amino]pyrimidine-2,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677276	.	.	.	.	156.14	C5H8N4O2	87.5	235	-1.6	11	3	4	1	"InChI=1S/C5H8N4O2/c1-9(6)3-2-4(10)8-5(11)7-3/h2H,6H2,1H3,(H2,7,8,10,11)"	CN(C1=CC(=O)NC(=O)N1)N	QWORRGCLMAIWHJ-UHFFFAOYSA-N
DG56518	"6-(2-(1-Naphthyl)hydrazino)-2,4-pyrimidinediol"	385877	"NSC677277; 6-(2-(1-Naphthyl)hydrazino)-2,4-pyrimidinediol; CHEMBL1985659; NSC-677277; NCI60_027596; 6-[2-(1-naphthyl)hydrazino]pyrimidine-2,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677277	.	.	.	.	268.27	C14H12N4O2	82.3	435	2.3	20	4	4	3	"InChI=1S/C14H12N4O2/c19-13-8-12(15-14(20)16-13)18-17-11-7-3-5-9-4-1-2-6-10(9)11/h1-8,17H,(H3,15,16,18,19,20)"	C1=CC=C2C(=C1)C=CC=C2NNC3=CC(=O)NC(=O)N3	MFDXKIUENRQVLI-UHFFFAOYSA-N
DG56519	"6-(2-(2-Fluorophenyl)hydrazino)-2,4-pyrimidinediol"	385878	"NSC677278; 6-(2-(2-Fluorophenyl)hydrazino)-2,4-pyrimidinediol; CHEMBL1972935; NSC-677278; NCI60_027597; 6-[2-(2-fluorophenyl)hydrazino]pyrimidine-2,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677278	.	.	.	.	236.2	C10H9FN4O2	82.3	358	1.2	17	4	5	3	"InChI=1S/C10H9FN4O2/c11-6-3-1-2-4-7(6)14-15-8-5-9(16)13-10(17)12-8/h1-5,14H,(H3,12,13,15,16,17)"	C1=CC=C(C(=C1)NNC2=CC(=O)NC(=O)N2)F	OHNOGQIAPVRWHB-UHFFFAOYSA-N
DG56520	"6-(2-(3-Chlorophenyl)hydrazino)-2,4-pyrimidinediol"	385879	"NSC677279; 6-(2-(3-Chlorophenyl)hydrazino)-2,4-pyrimidinediol; CHEMBL1992680; NSC-677279; NCI60_027598; 6-[2-(3-chlorophenyl)hydrazino]pyrimidine-2,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677279	.	.	.	.	252.66	C10H9ClN4O2	82.3	358	1.7	17	4	4	3	"InChI=1S/C10H9ClN4O2/c11-6-2-1-3-7(4-6)14-15-8-5-9(16)13-10(17)12-8/h1-5,14H,(H3,12,13,15,16,17)"	C1=CC(=CC(=C1)Cl)NNC2=CC(=O)NC(=O)N2	JLJOTKKXGSPXNR-UHFFFAOYSA-N
DG56521	"2,4-Pyrimidinediol, 6-[2-(3-chloro-4-methylphenyl)hydrazino]-"	385881	"NSC677281; CHEMBL1970386; 2,4-Pyrimidinediol, 6-[2-(3-chloro-4-methylphenyl)hydrazino]-; NSC-677281; NCI60_027600; 6-[2-(3-chloro-4-methyl-phenyl)hydrazino]pyrimidine-2,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677281	.	.	.	.	266.68	C11H11ClN4O2	82.3	385	2.1	18	4	4	3	"InChI=1S/C11H11ClN4O2/c1-6-2-3-7(4-8(6)12)15-16-9-5-10(17)14-11(18)13-9/h2-5,15H,1H3,(H3,13,14,16,17,18)"	CC1=C(C=C(C=C1)NNC2=CC(=O)NC(=O)N2)Cl	DKDCAVRCLKGGGD-UHFFFAOYSA-N
DG56522	"6-(2-(4-(Methylsulfonyl)phenyl)hydrazino)-2,4-pyrimidinediol"	385882	"NSC677282; CHEMBL1992024; 6-(2-(4-(Methylsulfonyl)phenyl)hydrazino)-2,4-pyrimidinediol; NSC-677282; NCI60_027601; 6-[2-(4-methylsulfonylphenyl)hydrazino]pyrimidine-2,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677282	.	.	.	.	296.3	C11H12N4O4S	125	529	0.3	20	4	6	4	"InChI=1S/C11H12N4O4S/c1-20(18,19)8-4-2-7(3-5-8)14-15-9-6-10(16)13-11(17)12-9/h2-6,14H,1H3,(H3,12,13,15,16,17)"	CS(=O)(=O)C1=CC=C(C=C1)NNC2=CC(=O)NC(=O)N2	HFKKYLMVYGCIBR-UHFFFAOYSA-N
DG56523	"4,4,6,6-Tetramethylbicyclo[8.1.0]undecan-5-one"	385895	"NSC677296; 4,4,6,6-Tetramethylbicyclo[8.1.0]undecan-5-one; 5,5,7,7-tetramethylbicyclo[8.1.0]undecan-6-one; CHEMBL1974272; NSC-677296; NCI60_027614"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677296	.	.	.	.	222.37	C15H26O	17.1	288	4.7	16	0	1	0	"InChI=1S/C15H26O/c1-14(2)8-5-6-11-10-12(11)7-9-15(3,4)13(14)16/h11-12H,5-10H2,1-4H3"	CC1(CCCC2CC2CCC(C1=O)(C)C)C	IJLDONZBPOELHD-UHFFFAOYSA-N
DG56524	"7,7,9,9-Tetramethylbicyclo[14.1.0]heptadecan-8-one"	385898	"NSC677299; 7,7,9,9-Tetramethylbicyclo[14.1.0]heptadecan-8-one; CHEMBL2005153; 8,8,10,10-tetramethylbicyclo[14.1.0]heptadecan-9-one; NSC-677299; NCI60_027617"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677299	.	.	.	.	306.5	C21H38O	17.1	366	8	22	0	1	0	"InChI=1S/C21H38O/c1-20(2)14-10-6-5-8-12-17-16-18(17)13-9-7-11-15-21(3,4)19(20)22/h17-18H,5-16H2,1-4H3"	CC1(CCCCCCC2CC2CCCCCC(C1=O)(C)C)C	APFUKGAGJOUSBI-UHFFFAOYSA-N
DG56525	"2-(12-Hydroxydodecyl)-2,12,12-trimethylcyclododecanone"	385902	"NSC677303; 2-(12-Hydroxydodecyl)-2,12,12-trimethylcyclododecanone; CHEMBL1973838; NSC-677303; NCI60_027621; 2-(12-hydroxydodecyl)-2,12,12-trimethyl-cyclododecanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677303	.	.	.	.	408.7	C27H52O2	37.3	415	10.2	29	1	2	12	"InChI=1S/C27H52O2/c1-26(2)21-17-13-9-8-11-15-19-23-27(3,25(26)29)22-18-14-10-6-4-5-7-12-16-20-24-28/h28H,4-24H2,1-3H3"	CC1(CCCCCCCCCC(C1=O)(C)CCCCCCCCCCCCO)C	DDVIVCCZIQBRGI-UHFFFAOYSA-N
DG56526	"2-(11-Hydroxyundecyl)-2,8,8-trimethylcyclooctanone"	385904	"NSC677305; 2-(11-Hydroxyundecyl)-2,8,8-trimethylcyclooctanone; CHEMBL1990484; NSC-677305; NCI60_027623; 2-(11-hydroxyundecyl)-2,8,8-trimethyl-cyclooctanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677305	.	.	.	.	338.6	C22H42O2	37.3	348	7.5	24	1	2	11	"InChI=1S/C22H42O2/c1-21(2)16-12-11-14-18-22(3,20(21)24)17-13-9-7-5-4-6-8-10-15-19-23/h23H,4-19H2,1-3H3"	CC1(CCCCCC(C1=O)(C)CCCCCCCCCCCO)C	AVVHASCLAPEHMY-UHFFFAOYSA-N
DG56527	7-Fluoro-3-[(7-fluoro-4-oxo-chromen-3-yl)disulfanyl]chromen-4-one	385907	"NSC677369; CHEMBL1986606; NSC-677369; NCI60_027626; 3,3'-Dithiobis(7-fluoro-4H-1-benzopyran-4-one); 4H-1-Benzopyran-4-one, 3,3'-dithiobis[7-fluoro-; 7-fluoro-3-[(7-fluoro-4-oxo-chromen-3-yl)disulfanyl]chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677369	.	.	.	.	390.4	C18H8F2O4S2	103	610	3.9	26	0	8	3	InChI=1S/C18H8F2O4S2/c19-9-1-3-11-13(5-9)23-7-15(17(11)21)25-26-16-8-24-14-6-10(20)2-4-12(14)18(16)22/h1-8H	C1=CC2=C(C=C1F)OC=C(C2=O)SSC3=COC4=C(C3=O)C=CC(=C4)F	HZSCPEOBHAYHPB-UHFFFAOYSA-N
DG56528	"(3-Benzoyl-3-chloro-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-8-yl)acetic acid"	385909	"NSC677371; CHEMBL2005373; (3-Benzoyl-3-chloro-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-8-yl)acetic acid; NSC-677371; NCI60_027628; 2-(3-benzoyl-3-chloro-4-oxo-2-phenyl-chroman-8-yl)acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677371	.	.	.	.	420.8	C24H17ClO5	80.7	667	4.5	30	1	5	5	"InChI=1S/C24H17ClO5/c25-24(21(28)15-8-3-1-4-9-15)22(29)18-13-7-12-17(14-19(26)27)20(18)30-23(24)16-10-5-2-6-11-16/h1-13,23H,14H2,(H,26,27)"	C1=CC=C(C=C1)C2C(C(=O)C3=CC=CC(=C3O2)CC(=O)O)(C(=O)C4=CC=CC=C4)Cl	FZHHXKOSWGNPIC-UHFFFAOYSA-N
DG56529	"(3-Benzoyl-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-8-yl)acetic acid"	385910	"NSC677372; CHEMBL2003648; (3-Benzoyl-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-8-yl)acetic acid; NSC-677372; NCI60_027629; 2-(3-benzoyl-4-oxo-2-phenyl-chroman-8-yl)acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677372	.	.	.	.	386.4	C24H18O5	80.7	617	4	29	1	5	5	"InChI=1S/C24H18O5/c25-19(26)14-17-12-7-13-18-22(28)20(21(27)15-8-3-1-4-9-15)24(29-23(17)18)16-10-5-2-6-11-16/h1-13,20,24H,14H2,(H,25,26)"	C1=CC=C(C=C1)C2C(C(=O)C3=CC=CC(=C3O2)CC(=O)O)C(=O)C4=CC=CC=C4	YELWIFSXUUARFF-UHFFFAOYSA-N
DG56530	N-(3-Chlorophenyl)-3-hydrazino-3-oxopropanamide	385912	NSC677374; 70793-57-6; CHEMBL1985485; DTXSID40327687; ZINC1646832; NSC-677374; NCI60_027631; N-(3-Chlorophenyl)-3-hydrazino-3-oxopropanamide; N-(3-chlorophenyl)-3-hydrazino-3-oxo-propanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677374	.	.	.	.	227.65	C9H10ClN3O2	84.2	248	1.4	15	3	3	3	"InChI=1S/C9H10ClN3O2/c10-6-2-1-3-7(4-6)12-8(14)5-9(15)13-11/h1-4H,5,11H2,(H,12,14)(H,13,15)"	C1=CC(=CC(=C1)Cl)NC(=O)CC(=O)NN	DBAGCVUFFLVICX-UHFFFAOYSA-N
DG56531	"N,N'-bis(4-acetamidophenyl)propanediamide"	385921	"NSC677384; N,N'-bis(4-acetamidophenyl)propanediamide; CHEMBL1984694; ZINC1646839; NSC-677384; NCI60_027640; N~1~,N~3~-Bis(4-(acetylamino)phenyl)malonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677384	.	.	.	.	368.4	C19H20N4O4	116	502	1.6	27	4	4	6	"InChI=1S/C19H20N4O4/c1-12(24)20-14-3-7-16(8-4-14)22-18(26)11-19(27)23-17-9-5-15(6-10-17)21-13(2)25/h3-10H,11H2,1-2H3,(H,20,24)(H,21,25)(H,22,26)(H,23,27)"	CC(=O)NC1=CC=C(C=C1)NC(=O)CC(=O)NC2=CC=C(C=C2)NC(=O)C	SFJBNQKETVVNBW-UHFFFAOYSA-N
DG56532	NSC677390	385927	"3-(3-Methyl-4-((4-((4-((3-methyl-5-oxo-1-(3-oxo-3-(4-toluidino)propanoyl)-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)phenyl)diazenyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide; NSC677390; CHEMBL2001985; NSC-677390; NCI60_027646; 3-(3-Methyl-4-((4-((4-((3-methyl-5-oxo-1-(3-oxo-3-(4-toluidino)propanoyl)-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)phenyl)diazenyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide; 3-[3-methyl-4-[(E)-[4-[4-[(E)-[3-methyl-1-[3-(4-methylanilino)-3-oxo-propanoyl]-5-oxo-4H-pyrazol-4-yl]azo]phenyl]sulfonylphenyl]azo]-5-oxo-4H-pyrazol-1-yl]-3-oxo-N-(p-tolyl)propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677390	.	.	.	.	816.8	C40H36N10O8S	250	1720	5.8	59	2	14	12	"InChI=1S/C40H36N10O8S/c1-23-5-9-27(10-6-23)41-33(51)21-35(53)49-39(55)37(25(3)47-49)45-43-29-13-17-31(18-14-29)59(57,58)32-19-15-30(16-20-32)44-46-38-26(4)48-50(40(38)56)36(54)22-34(52)42-28-11-7-24(2)8-12-28/h5-20,37-38H,21-22H2,1-4H3,(H,41,51)(H,42,52)"	CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N=NC5C(=NN(C5=O)C(=O)CC(=O)NC6=CC=C(C=C6)C)C	VXIOZNKRTFJDBO-UHFFFAOYSA-N
DG56533	"2-Azido-10-[(4-dimethylamino)butyl]phenothiazine, oxalate salt"	385933	"NSC677395; 2-Azido-10-[(4-dimethylamino)butyl]phenothiazine, oxalate salt; CHEMBL1982803; NSC-677395"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677395	.	.	.	.	429.5	C20H23N5O4S	121	522	.	30	2	9	7	"InChI=1S/C18H21N5S.C2H2O4/c1-22(2)11-5-6-12-23-15-7-3-4-8-17(15)24-18-10-9-14(20-21-19)13-16(18)23;3-1(4)2(5)6/h3-4,7-10,13H,5-6,11-12H2,1-2H3;(H,3,4)(H,5,6)"	CN(C)CCCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)N=[N+]=[N-].C(=O)(C(=O)O)O	VDDBVQNXLNVBNB-UHFFFAOYSA-N
DG56534	"10-(4-Chlorobutyl)-1,3,4-trifluoro-2-nitrophenothiazine"	385935	"NSC677398; 10-(4-chlorobutyl)-1,3,4-trifluoro-2-nitrophenothiazine; CHEMBL2004668; NSC-677398; NCI60_027654; 10H-Phenothiazine,3,4-trifluoro- 2-nitro-; 10-(4-chlorobutyl)-1,3,4-trifluoro-2-nitro-phenothiazine; 10-(4-Chlorobutyl)-2-nitro-1,3,4-trifluoro-10H-phenothiazine; 10-(4-Chlorobutyl)-1,3,4-trifluoro-2-(hydroxy(oxido)amino)-10H-phenothiazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677398	.	.	.	.	388.8	C16H12ClF3N2O2S	74.4	487	5.2	25	0	7	4	"InChI=1S/C16H12ClF3N2O2S/c17-7-3-4-8-21-9-5-1-2-6-10(9)25-16-12(19)11(18)14(22(23)24)13(20)15(16)21/h1-2,5-6H,3-4,7-8H2"	C1=CC=C2C(=C1)N(C3=C(C(=C(C(=C3S2)F)F)[N+](=O)[O-])F)CCCCCl	XBXKXDVDDODFII-UHFFFAOYSA-N
DG56535	"N,N-(fluorodinitroethyl)-N'-fluorodinitroethylurea"	385941	"NSC677413; N,N-(fluorodinitroethyl)-N'-fluorodinitroethylurea; CHEMBL1976254; SCHEMBL11224664; NSC-677413; NCI60_027659; N,N,N'-tris(2-fluoro-2,2-dinitroethyl)urea; 1,1,3-tris(2-fluoro-2,2-dinitro-ethyl)urea; N,N,N'-Tris(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677413	.	.	.	.	468.17	C7H7F3N8O13	307	721	0	31	1	16	6	"InChI=1S/C7H7F3N8O13/c8-5(13(20)21,14(22)23)1-11-4(19)12(2-6(9,15(24)25)16(26)27)3-7(10,17(28)29)18(30)31/h1-3H2,(H,11,19)"	C(C([N+](=O)[O-])([N+](=O)[O-])F)NC(=O)N(CC([N+](=O)[O-])([N+](=O)[O-])F)CC([N+](=O)[O-])([N+](=O)[O-])F	WCVGRGIUDONGEZ-UHFFFAOYSA-N
DG56536	"[6-(phenylmethoxycarbonylamino)-1-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-2,3-dihydroindol-3-yl]methyl methanesulfonate"	386020	NSC677589; SCHEMBL7045167; CHEMBL2004673; NSC-677589; NCI60_027673	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677589	.	.	.	.	609.6	C30H31N3O9S	154	1070	3.6	43	2	9	11	"InChI=1S/C30H31N3O9S/c1-38-25-13-19-12-23(32-26(19)28(40-3)27(25)39-2)29(34)33-15-20(17-42-43(4,36)37)22-11-10-21(14-24(22)33)31-30(35)41-16-18-8-6-5-7-9-18/h5-14,20,32H,15-17H2,1-4H3,(H,31,35)"	COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)NC(=O)OCC5=CC=CC=C5)COS(=O)(=O)C)OC)OC	MCBMMKYKXPJQPK-UHFFFAOYSA-N
DG56537	8-Methylxanthen-9-one-4-acetic acid	386025	"117570-76-0; 8-Methylxanthen-9-one-4-acetic acid; 2-(8-METHYL-9-OXO-9H-XANTHEN-4-YL)ACETIC ACID; 2-(8-methyl-9-oxoxanthen-4-yl)acetic acid; 9H-Xanthene-4-acetic acid, 8-methyl-9-oxo-; 8-Me-XAA; 8-Mexaa; NSC677592; 8-Methylxanthanone acetic acid; 8-Methylxanthenone-4-acetic acid; CHEMBL167181; SCHEMBL20762953; DTXSID60151825; MFCD28016379; AKOS025243400; AS-80918; NCI60_027676; 8-Methyl-9-oxo-9H-xanthene-4-acetic acid; 2-(8-methyl-9-oxo-xanthen-4-yl)acetic acid; Y11291; 2-(1-methyl-9-oxo-9H-xanthen-5-yl)acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677592	.	.	.	.	268.26	C16H12O4	63.6	405	2.8	20	1	4	2	"InChI=1S/C16H12O4/c1-9-4-2-7-12-14(9)15(19)11-6-3-5-10(8-13(17)18)16(11)20-12/h2-7H,8H2,1H3,(H,17,18)"	CC1=C2C(=CC=C1)OC3=C(C=CC=C3C2=O)CC(=O)O	LOMULPZJAGQWGF-UHFFFAOYSA-N
DG56538	NSC677597	386034	2-[2-[2-[3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoylamino]propanoylamino]-N'-[3-[(1-nitroacridin-9-yl)amino]propyl]pentanediamide; NSC677597; CHEMBL1992347; NSC-677597; NCI60_027681; 2-[2-[2-[3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoylamino]propanoylamino]-N'-[3-[(1-nitroacridin-9-yl)amino]propyl]pentanediamide; 2-{2-[2-(3-Acetylamino-2-benzyloxy-5-hydroxy-6-hydroxymethyl-tetrahydro-pyran-4-yloxy)-propionylamino]-propionylamino}-pentanedioic acid 1-amide 5-{[3-(1-nitro-acridin-9-ylamino)-propyl]-amide}	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677597	.	.	.	.	860.9	C42H52N8O12	298	1520	2.1	62	8	14	20	"InChI=1S/C42H52N8O12/c1-23(46-41(57)24(2)61-38-36(47-25(3)52)42(62-32(21-51)37(38)54)60-22-26-11-5-4-6-12-26)40(56)49-30(39(43)55)17-18-33(53)44-19-10-20-45-35-27-13-7-8-14-28(27)48-29-15-9-16-31(34(29)35)50(58)59/h4-9,11-16,23-24,30,32,36-38,42,51,54H,10,17-22H2,1-3H3,(H2,43,55)(H,44,53)(H,45,48)(H,46,57)(H,47,52)(H,49,56)"	CC(C(=O)NC(CCC(=O)NCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C	ZXLBOKLEIWEQLF-UHFFFAOYSA-N
DG56539	NSC677598	386035	2-[[1-[2-[3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxyacetyl]pyrrolidine-2-carbonyl]amino]-N'-[5-[(1-nitroacridin-9-yl)amino]pentyl]pentanediamide; NSC677598; CHEMBL1974562; NSC-677598; NCI60_027682; 2-({1-[2-(3-Acetylamino-2-benzyloxy-5-hydroxy-6-hydroxymethyl-tetrahydro-pyran-4-yloxy)-acetyl]-pyrrolidine-2-carbonyl}-amino)-pentanedioic acid 1-amide 5-{[5-(1-nitro-acridin-9-ylamino)-pentyl]-amide}; 2-[[1-[2-[3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxyacetyl]pyrrolidine-2-carbonyl]amino]-N'-[5-[(1-nitroacridin-9-yl)amino]pentyl]pentanediamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677598	.	.	.	.	901	C45H56N8O12	290	1600	2.1	65	7	14	21	"InChI=1S/C45H56N8O12/c1-27(55)49-40-42(41(58)35(24-54)65-45(40)64-25-28-12-4-2-5-13-28)63-26-37(57)52-23-11-18-34(52)44(60)51-32(43(46)59)19-20-36(56)47-21-8-3-9-22-48-39-29-14-6-7-15-30(29)50-31-16-10-17-33(38(31)39)53(61)62/h2,4-7,10,12-17,32,34-35,40-42,45,54,58H,3,8-9,11,18-26H2,1H3,(H2,46,59)(H,47,56)(H,48,50)(H,49,55)(H,51,60)"	CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)CO)O)OCC(=O)N3CCCC3C(=O)NC(CCC(=O)NCCCCCNC4=C5C(=NC6=CC=CC=C64)C=CC=C5[N+](=O)[O-])C(=O)N	XJIFATPTLBPJCK-UHFFFAOYSA-N
DG56540	NSC677599	386036	2-[2-[[2-[3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxyacetyl]amino]propanoylamino]-N'-[5-[(1-nitroacridin-9-yl)amino]pentyl]pentanediamide; NSC677599; CHEMBL1978509; NSC-677599; NCI60_027683; 2-[2-[[2-[3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxyacetyl]amino]propanoylamino]-N'-[5-[(1-nitroacridin-9-yl)amino]pentyl]pentanediamide; 2-{2-[2-(3-Acetylamino-2-benzyloxy-5-hydroxy-6-hydroxymethyl-tetrahydro-pyran-4-yloxy)-acetylamino]-propionylamino}-pentanedioic acid 1-amide 5-{[5-(1-nitro-acridin-9-ylamino)-pentyl]-amide}	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677599	.	.	.	.	874.9	C43H54N8O12	298	1520	1.8	63	8	14	22	"InChI=1S/C43H54N8O12/c1-25(47-35(55)24-61-40-38(48-26(2)53)43(63-33(22-52)39(40)56)62-23-27-12-5-3-6-13-27)42(58)50-31(41(44)57)18-19-34(54)45-20-9-4-10-21-46-37-28-14-7-8-15-29(28)49-30-16-11-17-32(36(30)37)51(59)60/h3,5-8,11-17,25,31,33,38-40,43,52,56H,4,9-10,18-24H2,1-2H3,(H2,44,57)(H,45,54)(H,46,49)(H,47,55)(H,48,53)(H,50,58)"	CC(C(=O)NC(CCC(=O)NCCCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C	FCLWHDIQAVOPMW-UHFFFAOYSA-N
DG56541	2-Phenyl-6-((1-phenyl-1H-tetraazol-5-yl)oxy)-4H-chromen-4-one	386037	NSC677603; CHEMBL1989919; 2-Phenyl-6-((1-phenyl-1H-tetraazol-5-yl)oxy)-4H-chromen-4-one; NSC-677603; NCI60_027684; 2-phenyl-6-(1-phenyltetrazol-5-yl)oxy-chromen-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677603	.	.	.	.	382.4	C22H14N4O3	79.1	615	4.3	29	0	6	4	InChI=1S/C22H14N4O3/c27-19-14-21(15-7-3-1-4-8-15)29-20-12-11-17(13-18(19)20)28-22-23-24-25-26(22)16-9-5-2-6-10-16/h1-14H	C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)OC4=NN=NN4C5=CC=CC=C5	GMYNLZZNTJORKN-UHFFFAOYSA-N
DG56542	2-Phenyl-7-((1-phenyl-1H-tetraazol-5-yl)oxy)-4H-chromen-4-one	386038	NSC677604; CHEMBL1987660; 2-Phenyl-7-((1-phenyl-1H-tetraazol-5-yl)oxy)-4H-chromen-4-one; NSC-677604; NCI60_027685; 2-phenyl-7-(1-phenyltetrazol-5-yl)oxy-chromen-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677604	.	.	.	.	382.4	C22H14N4O3	79.1	615	4.3	29	0	6	4	InChI=1S/C22H14N4O3/c27-19-14-20(15-7-3-1-4-8-15)29-21-13-17(11-12-18(19)21)28-22-23-24-25-26(22)16-9-5-2-6-10-16/h1-14H	C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OC4=NN=NN4C5=CC=CC=C5	AVXWNBOPCKZEEY-UHFFFAOYSA-N
DG56543	"7-(2-{[1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione"	386042	"NSC677608; Oprea1_278843; CHEMBL1990015; STL581476; NSC-677608; 7-(2-{[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione; NCI60_027689; 7-(2-((2-Hydroxy-1-(hydroxymethyl)-2-(4-(hydroxy(oxido)amino)phenyl)ethyl)amino)ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione; 7-[2-[[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677608	.	.	.	.	418.4	C18H22N6O6	157	652	-0.9	30	3	8	7	"InChI=1S/C18H22N6O6/c1-21-16-14(17(27)22(2)18(21)28)23(10-20-16)8-7-19-13(9-25)15(26)11-3-5-12(6-4-11)24(29)30/h3-6,10,13,15,19,25-26H,7-9H2,1-2H3"	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O	ZZKILQVTUWDOMA-UHFFFAOYSA-N
DG56544	"8-Bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione"	386044	"NSC677610; C13H17BrN4O3; 8-bromo-3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione; CHEMBL1995157; SCHEMBL18119890; ZINC1646906; 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3,7-dimethyl-1-(5-oxohexyl)-; AKOS030489476; MCULE-3469585879; NSC-677610; NCI60_027691; 8-bromo-3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6(3H,7H)-dione; 8-bromo-3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1h-purine-2,6-dione; 359709-03-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677610	.	.	.	.	357.2	C13H17BrN4O3	75.5	459	1	21	0	4	5	"InChI=1S/C13H17BrN4O3/c1-8(19)6-4-5-7-18-11(20)9-10(17(3)13(18)21)15-12(14)16(9)2/h4-7H2,1-3H3"	CC(=O)CCCCN1C(=O)C2=C(N=C(N2C)Br)N(C1=O)C	FUOVLWFMUJGYNB-UHFFFAOYSA-N
DG56545	"[4-allyloxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-oxo-2H-furan-3-yl] acetate"	386045	"NSC677612; CHEMBL2003660; NSC-677612; Acetic acid 4-allyloxy-2-(2,2-dimethyl-[1,3]dioxolan-4-yl)-5-oxo-2,5-dihydro-furan-3-yl ester; NCI60_027692; [4-allyloxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-oxo-2H-furan-3-yl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677612	.	.	.	.	298.29	C14H18O7	80.3	492	0.8	21	0	7	6	"InChI=1S/C14H18O7/c1-5-6-17-12-11(19-8(2)15)10(20-13(12)16)9-7-18-14(3,4)21-9/h5,9-10H,1,6-7H2,2-4H3"	CC(=O)OC1=C(C(=O)OC1C2COC(O2)(C)C)OCC=C	NYGOHPXXZJYJOK-UHFFFAOYSA-N
DG56546	"Acetic acid,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dioxo-4-(1-phenyl-2-propen-1-yl)furan-4-yl ester"	386050	"NSC677617; CHEMBL2003192; NSC-677617; NCI60_027697; Acetic acid,2-dimethyl- 1,3-dioxolan-4-yl)-2,3-dioxo- 4-(1-phenyl-2-propen-1-yl)furan-4-yl ester; Furan-2, tetrahydro-4-acetoxy- 4-(1-phenyl-2-propen-1-yl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677617	.	.	.	.	374.4	C20H22O7	88.1	634	2.4	27	0	7	6	"InChI=1S/C20H22O7/c1-5-14(13-9-7-6-8-10-13)20(26-12(2)21)16(22)18(23)25-17(20)15-11-24-19(3,4)27-15/h5-10,14-15,17H,1,11H2,2-4H3/t14 ,15 ,17 ,20-/m1/s1"	CC(=O)O[C@]1(C(OC(=O)C1=O)C2COC(O2)(C)C)C(C=C)C3=CC=CC=C3	RKSAATWCHUBICD-IDQKJFIUSA-N
DG56547	"Furan-2-carboxamide, 3-(4-chlorophenyl)-N-cyclohexyl-5-methoxy-4-(phenylsulfonyl)-"	386060	"NSC677629; MLS002702293; CHEMBL1714314; ZINC5539075; NSC-677629; NCI60_027707; SMR001565855; 3-(4-Chlorophenyl)-N-cyclohexyl-5-methoxy-4-(phenylsulfonyl)-2-furamide; 4-(benzenesulfonyl)-3-(4-chlorophenyl)-N-cyclohexyl-5-methoxy-furan-2-carboxamide; Furan-2-carboxamide, 3-(4-chlorophenyl)-N-cyclohexyl- 5-methoxy-4-(phenylsulfonyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677629	.	.	.	.	474	C24H24ClNO5S	94	721	5.8	32	1	5	6	"InChI=1S/C24H24ClNO5S/c1-30-24-22(32(28,29)19-10-6-3-7-11-19)20(16-12-14-17(25)15-13-16)21(31-24)23(27)26-18-8-4-2-5-9-18/h3,6-7,10-15,18H,2,4-5,8-9H2,1H3,(H,26,27)"	COC1=C(C(=C(O1)C(=O)NC2CCCCC2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4	VHQGXSLLCNIINF-UHFFFAOYSA-N
DG56548	"2-(2-(4-Ethoxy-3,5-dimethoxybenzyl)hydrazino)-1,3-thiazole"	386062	"NSC677631; CHEMBL1977320; 2-(2-(4-Ethoxy-3,5-dimethoxybenzyl)hydrazino)-1,3-thiazole; NSC-677631; NCI60_027709; 1-(Thiazol-2-yl)-2-(3,5-dimethoxy-4-ethoxybenzyl)hydrazine; 1-[(4-ethoxy-3,5-dimethoxy-phenyl)methyl]-2-thiazol-2-yl-hydrazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677631	.	.	.	.	309.39	C14H19N3O3S	92.9	285	2.8	21	2	7	8	"InChI=1S/C14H19N3O3S/c1-4-20-13-11(18-2)7-10(8-12(13)19-3)9-16-17-14-15-5-6-21-14/h5-8,16H,4,9H2,1-3H3,(H,15,17)"	CCOC1=C(C=C(C=C1OC)CNNC2=NC=CS2)OC	RAUBLGZKCZGTQC-UHFFFAOYSA-N
DG56549	"2-(2,5-Dimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole"	386067	"NSC677634; 2-(2,5-Dimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole; CHEMBL1970473; AKOS005145440; NSC-677634; NCI60_027712; 2-(2,5-Dimethoxyphenyl)imidazo[2,1-b]benzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677634	.	.	.	.	310.4	C17H14N2O2S	64	397	4.9	22	0	4	3	"InChI=1S/C17H14N2O2S/c1-20-11-7-8-15(21-2)12(9-11)13-10-19-14-5-3-4-6-16(14)22-17(19)18-13/h3-10H,1-2H3"	COC1=CC(=C(C=C1)OC)C2=CN3C4=CC=CC=C4SC3=N2	YDNALTMJGPSMPG-UHFFFAOYSA-N
DG56550	"2,8-Bis(3,4,5-trimethoxyphenyl)pyrano[3,2-g]chromene-4,6-dione"	386069	"NSC677640; CHEMBL1983672; ZINC1646942; 2,8-bis(3,4,5-trimethoxyphenyl)pyrano[3,2-g]chromene-4,6-dione; 2,8-Bis(3,4,5-trimethoxyphenyl)-4H,6H-pyrano[3,2-g]chromene-4,6-dione; NSC-677640; NCI60_027715; 2,8-bis(3,4,5-trimethoxylphenyl)-4h,6h-pyrano[3,2-g]chromene-4,6-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677640	.	.	.	.	546.5	C30H26O10	108	889	4.3	40	0	10	8	"InChI=1S/C30H26O10/c1-33-25-7-15(8-26(34-2)29(25)37-5)21-12-19(31)17-11-18-20(32)13-22(40-24(18)14-23(17)39-21)16-9-27(35-3)30(38-6)28(10-16)36-4/h7-14H,1-6H3"	COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=CC4=C(C=C3O2)OC(=CC4=O)C5=CC(=C(C(=C5)OC)OC)OC	VAJCUPZKJQVAFX-UHFFFAOYSA-N
DG56551	"4-Imidazolidinone, 5-(1-methylethyl)-3-(pentafluorophenyl)-1-[2-(phenylsulfinyl)ethyl]-2-thioxo-"	386073	"NSC677646; CHEMBL1976845; NSC-677646; 4-Imidazolidinone, 5-(1-methylethyl)-3-(pentafluorophenyl)-1-[2-(phenylsulfinyl)ethyl]-2-thioxo-; NCI60_027719; 1-[2-(benzenesulfinyl)ethyl]-5-isopropyl-3-(2,3,4,5,6-pentafluorophenyl)-2-thioxo-imidazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677646	.	.	.	.	476.5	C20H17F5N2O2S2	91.9	693	4.1	31	0	9	6	"InChI=1S/C20H17F5N2O2S2/c1-10(2)17-19(28)27(18-15(24)13(22)12(21)14(23)16(18)25)20(30)26(17)8-9-31(29)11-6-4-3-5-7-11/h3-7,10,17H,8-9H2,1-2H3"	CC(C)C1C(=O)N(C(=S)N1CCS(=O)C2=CC=CC=C2)C3=C(C(=C(C(=C3F)F)F)F)F	AESMQOQXEXROQB-UHFFFAOYSA-N
DG56552	"Tert-butyl 2,6-dioxo-4-[2,3,4-tris(phenylmethoxy)butyl]piperidine-3-carboxylate"	386084	NSC677674; CHEMBL1996943; NSC-677674; NCI60_027733	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677674	.	.	.	.	587.7	C35H41NO7	100	868	4.9	43	1	7	16	"InChI=1S/C35H41NO7/c1-35(2,3)43-34(39)32-28(20-31(37)36-33(32)38)19-29(41-22-26-15-9-5-10-16-26)30(42-23-27-17-11-6-12-18-27)24-40-21-25-13-7-4-8-14-25/h4-18,28-30,32H,19-24H2,1-3H3,(H,36,37,38)"	CC(C)(C)OC(=O)C1C(CC(=O)NC1=O)CC(C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4	SFRGAJOOYXWWKE-UHFFFAOYSA-N
DG56553	"Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, isopropyl ester"	386093	"NSC677695; MLS002702934; CHEMBL1699284; NSC-677695; NCI60_027740; SMR001566749; Isopropyl 4-((2,5-dihydroxybenzyl)amino)benzoate; isopropyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate; Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, isopropyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677695	.	.	.	.	301.34	C17H19NO4	78.8	353	3.3	22	3	5	6	"InChI=1S/C17H19NO4/c1-11(2)22-17(21)12-3-5-14(6-4-12)18-10-13-9-15(19)7-8-16(13)20/h3-9,11,18-20H,10H2,1-2H3"	CC(C)OC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O	OMVBNGOHWAOEKO-UHFFFAOYSA-N
DG56554	"tert-Butyl 4-((2,5-dihydroxybenzyl)amino)benzoate"	386094	"NSC677696; tert-Butyl 4-((2,5-dihydroxybenzyl)amino)benzoate; SCHEMBL409989; CHEMBL1975629; tert-butyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate; ZINC1646965; NSC-677696; NCI60_027741; Benzoic acid,5-dihydroxyphenyl)methyl]amino]- tert-butyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677696	.	.	.	.	315.4	C18H21NO4	78.8	385	3.5	23	3	5	6	"InChI=1S/C18H21NO4/c1-18(2,3)23-17(22)12-4-6-14(7-5-12)19-11-13-10-15(20)8-9-16(13)21/h4-10,19-21H,11H2,1-3H3"	CC(C)(C)OC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O	UEODOTJZRJMPBM-UHFFFAOYSA-N
DG56555	"5,6-Dimethyl-2,4-bis(methylsulfinyl)-7-phenyl-7H-pyrrolo[2,3-d]pyrimidine"	386095	"NSC677697; CHEMBL1968181; 5,6-Dimethyl-2,4-bis(methylsulfinyl)-7-phenyl-7H-pyrrolo[2,3-d]pyrimidine; NSC-677697; NCI60_027742; 7H-Pyrrolo[2, 5,6-dimethyl- 2,4-bis(methylsulfinyl)-7-phenyl-; 5,6-dimethyl-2,4-bis(methylsulfinyl)-7-phenyl-pyrrolo[2,3-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677697	.	.	.	.	347.5	C16H17N3O2S2	103	484	2	23	0	6	3	"InChI=1S/C16H17N3O2S2/c1-10-11(2)19(12-8-6-5-7-9-12)14-13(10)15(22(3)20)18-16(17-14)23(4)21/h5-9H,1-4H3"	CC1=C(N(C2=C1C(=NC(=N2)S(=O)C)S(=O)C)C3=CC=CC=C3)C	HDXTYLORMCSYSS-UHFFFAOYSA-N
DG56556	"7,8-Dimethyl-5,10-dihydrobenzo[g]quinoline-5,10-dione"	386101	"NSC677733; CHEMBL1990693; NSC-677733; NCI60_027744; 7,8-dimethyl-5,10-dihydrobenzo[g]quinoline-5,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677733	.	.	.	.	237.25	C15H11NO2	47	379	2.9	18	0	3	0	"InChI=1S/C15H11NO2/c1-8-6-11-12(7-9(8)2)15(18)13-10(14(11)17)4-3-5-16-13/h3-7H,1-2H3"	CC1=CC2=C(C=C1C)C(=O)C3=C(C2=O)C=CC=N3	JNVRQZLSSYDUTG-UHFFFAOYSA-N
DG56557	"2-Methylbenzo[g]quinoline-5,10-dione"	386103	"2-methylbenzo[g]quinoline-5,10-dione; methylazaanthraquinone; NSC677735; CHEMBL1987306; NSC-677735; NCI60_027746"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677735	.	.	.	.	223.23	C14H9NO2	47	352	2.5	17	0	3	0	"InChI=1S/C14H9NO2/c1-8-6-7-11-12(15-8)14(17)10-5-3-2-4-9(10)13(11)16/h2-7H,1H3"	CC1=NC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O	RPBFXOPZCXVTNR-UHFFFAOYSA-N
DG56558	NSC677771	386139	"[(2R)-2-[(1S,2R,5S,7R,8R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propyl] acetate; CHEMBL1991472; NSC677771; NSC-677771; NCI60_027782"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677771	.	.	.	.	388.6	C25H40O3	35.5	660	6.4	28	0	3	5	"InChI=1S/C25H40O3/c1-15(14-28-16(2)26)19-6-7-20-18-12-22(27-5)25-13-17(25)8-11-24(25,4)21(18)9-10-23(19,20)3/h15,17-22H,6-14H2,1-5H3/t15-,17-,18-,19+,20-,21-,22+,23+,24+,25-/m0/s1"	C[C@@H](COC(=O)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]45[C@@]3(CC[C@H]4C5)C)OC)C	OBXKFYVWKKLUHN-LPONOANUSA-N
DG56559	"Benzoic acid, 3-methyl-2-(1,3,4',5'-tetrahydro-4,5-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester"	386175	"NSC677797; CHEMBL1994039; NSC-677797; Benzoic acid, 3-methyl-2-(1,3,4',5'-tetrahydro-4,5-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester; NCI60_027808; methyl 2-(4',5'-dimethyl-1'-oxo-spiro[3,4-dihydropyrazole-5,2'-indane]-4-yl)-3-methyl-benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677797	.	.	.	.	362.4	C22H22N2O3	68.1	648	4.3	27	0	5	3	"InChI=1S/C22H22N2O3/c1-12-8-9-15-17(14(12)3)10-22(20(15)25)18(11-23-24-22)19-13(2)6-5-7-16(19)21(26)27-4/h5-9,18H,10-11H2,1-4H3"	CC1=C(C(=CC=C1)C(=O)OC)C2CN=NC23CC4=C(C3=O)C=CC(=C4C)C	GXSBZKKCZNVIIN-UHFFFAOYSA-N
DG56560	"Benzoic acid, 2-methyl-6-(1,3,4',5'-tetrahydro-6,7-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester"	386177	"NSC677799; CHEMBL1982522; NSC-677799; Benzoic acid, 2-methyl-6-(1,3,4',5'-tetrahydro-6,7-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester; NCI60_027810; methyl 2-(6',7'-dimethyl-1'-oxo-spiro[3,4-dihydropyrazole-5,2'-indane]-4-yl)-6-methyl-benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677799	.	.	.	.	362.4	C22H22N2O3	68.1	648	4.3	27	0	5	3	"InChI=1S/C22H22N2O3/c1-12-8-9-15-10-22(20(25)19(15)14(12)3)17(11-23-24-22)16-7-5-6-13(2)18(16)21(26)27-4/h5-9,17H,10-11H2,1-4H3"	CC1=C(C(=CC=C1)C2CN=NC23CC4=C(C3=O)C(=C(C=C4)C)C)C(=O)OC	RKEMEWKNLCHNAP-UHFFFAOYSA-N
DG56561	"Benzoic acid, 2-(1,3,4',5'-tetrahydro-5,7-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester"	386181	"NSC677803; CHEMBL1986636; NSC-677803; Benzoic acid, 2-(1,3,4',5'-tetrahydro-5,7-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester; NCI60_027814; methyl 2-(5',7'-dimethyl-1'-oxo-spiro[3,4-dihydropyrazole-5,2'-indane]-4-yl)benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677803	.	.	.	.	348.4	C21H20N2O3	68.1	618	3.9	26	0	5	3	"InChI=1S/C21H20N2O3/c1-12-8-13(2)18-14(9-12)10-21(19(18)24)17(11-22-23-21)15-6-4-5-7-16(15)20(25)26-3/h4-9,17H,10-11H2,1-3H3"	CC1=CC(=C2C(=C1)CC3(C2=O)C(CN=N3)C4=CC=CC=C4C(=O)OC)C	ZBQOWEKJGGQRMW-UHFFFAOYSA-N
DG56562	"Methyl 2-(4,8-dimethyl-7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,5'-3,4-dihydropyrazole]-4'-yl)benzoate"	386189	NSC677811; CHEMBL1988059; NSC-677811; NCI60_027822	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677811	.	.	.	.	388.5	C24H24N2O3	68.1	721	4.7	29	0	5	3	"InChI=1S/C24H24N2O3/c1-13-15-9-6-10-16(15)14(2)21-19(13)11-24(22(21)27)20(12-25-26-24)17-7-4-5-8-18(17)23(28)29-3/h4-5,7-8,20H,6,9-12H2,1-3H3"	CC1=C2CCCC2=C(C3=C1CC4(C3=O)C(CN=N4)C5=CC=CC=C5C(=O)OC)C	LINJHLJVJTZHFG-UHFFFAOYSA-N
DG56563	"Benzoic acid, 2-methyl-6-(1,3,4',5'-tetrahydro-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester"	386191	"NSC677813; MLS002702294; CHEMBL1897457; NSC-677813; Benzoic acid, 2-methyl-6-(1,3,4',5'-tetrahydro-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester; NCI60_027824; SMR001565856; methyl 2-methyl-6-(1'-oxospiro[3,4-dihydropyrazole-5,2'-indane]-4-yl)benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677813	.	.	.	.	334.4	C20H18N2O3	68.1	590	3.5	25	0	5	3	"InChI=1S/C20H18N2O3/c1-12-6-5-9-15(17(12)19(24)25-2)16-11-21-22-20(16)10-13-7-3-4-8-14(13)18(20)23/h3-9,16H,10-11H2,1-2H3"	CC1=C(C(=CC=C1)C2CN=NC23CC4=CC=CC=C4C3=O)C(=O)OC	QEHJPHRIKSKLAL-UHFFFAOYSA-N
DG56564	"Benzoic acid,3-dihydro-4-methyl-1-oxo-1H-inden-2-yl)methyl]-4-methyl-, methyl ester"	386193	"NSC677815; CHEMBL1968397; NSC-677815; NCI60_027826; Benzoic acid,3-dihydro-4-methyl-1-oxo- 1H-inden-2-yl)methyl]-4-methyl-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677815	.	.	.	.	308.4	C20H20O3	43.4	458	4.2	23	0	3	4	"InChI=1S/C20H20O3/c1-12-7-8-16(20(22)23-3)14(9-12)10-15-11-18-13(2)5-4-6-17(18)19(15)21/h4-9,15H,10-11H2,1-3H3"	CC1=CC(=C(C=C1)C(=O)OC)CC2CC3=C(C=CC=C3C2=O)C	FYFXJQOEJJOMJI-UHFFFAOYSA-N
DG56565	"1-Ethyl-2,4,6-triphenyl-4-(trichloromethyl)pyridine"	386205	"NSC677921; 1-ethyl-2,4,6-triphenyl-4-(trichloromethyl)pyridine; CHEMBL1985809; 1-Ethyl-2,4,6-triphenyl-4-(trichloromethyl)-1,4-dihydropyridine; NSC-677921; NCI60_027836"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677921	.	.	.	.	454.8	C26H22Cl3N	3.2	593	8.3	30	0	1	4	"InChI=1S/C26H22Cl3N/c1-2-30-23(20-12-6-3-7-13-20)18-25(26(27,28)29,22-16-10-5-11-17-22)19-24(30)21-14-8-4-9-15-21/h3-19H,2H2,1H3"	CCN1C(=CC(C=C1C2=CC=CC=C2)(C3=CC=CC=C3)C(Cl)(Cl)Cl)C4=CC=CC=C4	LCOZIAZRBPYFFP-UHFFFAOYSA-N
DG56566	"2-[2-(1,2-Dibromo-1-phenylethyl)phenyl]-4,6-diphenylpyridine"	386207	NSC677923; CHEMBL1982568; NSC-677923; NCI60_027838	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677923	.	.	.	.	569.3	C31H23Br2N	12.9	607	8.6	34	0	1	6	"InChI=1S/C31H23Br2N/c32-22-31(33,26-16-8-3-9-17-26)28-19-11-10-18-27(28)30-21-25(23-12-4-1-5-13-23)20-29(34-30)24-14-6-2-7-15-24/h1-21H,22H2"	C1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=CC=C3C(CBr)(C4=CC=CC=C4)Br)C5=CC=CC=C5	QDTFIRRBFJVZPO-UHFFFAOYSA-N
DG56567	"Benzo[a]quinolizinium,7-dihydro-2,4,7-triphenyl-, bromide"	386208	"CHEMBL1987618; NSC677924; NSC-677924; Benzo[a]quinolizinium,7-dihydro- 2,4,7-triphenyl-, bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677924	.	.	.	.	569.3	C31H23Br2N	3.9	631	.	34	0	1	3	"InChI=1S/C31H23BrN.BrH/c32-31(26-16-8-3-9-17-26)22-33-29(24-14-6-2-7-15-24)20-25(23-12-4-1-5-13-23)21-30(33)27-18-10-11-19-28(27)31;/h1-21H,22H2;1H/q+1;/p-1"	C1C(C2=CC=CC=C2C3=CC(=CC(=[N+]31)C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)Br.[Br-]	LOKICLTWFFRFII-UHFFFAOYSA-M
DG56568	"2-Ethoxy-3-phenyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,2-a]pyridine"	386210	"NSC677925; 2-Ethoxy-3-phenyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,2-a]pyridine; CHEMBL1997199; NSC-677925; NCI60_027840; 2-ethoxy-3-phenyl-6,7,8,8a-tetrahydro-5H-oxazolo[3,2-a]pyridine; Ethyl 3-phenyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,2-a]pyridin-2-yl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677925	.	.	.	.	245.32	C15H19NO2	21.7	321	3.6	18	0	3	3	"InChI=1S/C15H19NO2/c1-2-17-15-14(12-8-4-3-5-9-12)16-11-7-6-10-13(16)18-15/h3-5,8-9,13H,2,6-7,10-11H2,1H3"	CCOC1=C(N2CCCCC2O1)C3=CC=CC=C3	MLJYIBWSHNAXMA-UHFFFAOYSA-N
DG56569	"Diindolo[2,2-h]quinolizine"	386223	"NSC-677939; NSC677939; CHEMBL1287982; Diindolo[2,2-h]quinolizine; ZINC1647054; BDBM50332189; {Diindolo[2,3-a:3,2-h]quinolizine}; 14H-Diindolo[2,3-a:3,2-h]quinolizine; NCI60_027847; 14H-diindolo[2,3-a:3'',2''-h]quinolizine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677939	.	.	.	.	307.3	C21H13N3	33.6	531	5.3	24	1	1	0	"InChI=1S/C21H13N3/c1-3-7-17-13(5-1)15-9-11-24-12-10-16-14-6-2-4-8-18(14)23-20(16)21(24)19(15)22-17/h1-12,22H"	C1=CC=C2C(=C1)C3=C(N2)C4=C5C(=C6C=CC=CC6=N5)C=CN4C=C3	MNJDUMFRXPRNJB-UHFFFAOYSA-N
DG56570	"Benz[a]indolo[3,2-h]quinolizine"	386225	"NSC677941; CHEMBL1983093; Benz[a]indolo[3,2-h]quinolizine; NSC-677941; NCI60_027849"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677941	.	.	.	.	268.3	C19H12N2	17.8	431	5	21	0	1	0	InChI=1S/C19H12N2/c1-2-6-14-13(5-1)9-11-21-12-10-16-15-7-3-4-8-17(15)20-18(16)19(14)21/h1-12H	C1=CC=C2C(=C1)C=CN3C2=C4C(=C5C=CC=CC5=N4)C=C3	ARFIULSVDJRUHR-UHFFFAOYSA-N
DG56571	"L-Glutamamide,4-diamino-6-pteridinyl)methyl](methyl)amino]benzoyl]-N(1),N(5)-didecyl-"	386226	"CHEMBL1997382; NSC677942; NSC-677942; NCI60_027850; L-Glutamamide,4-diamino-6-pteridinyl)methyl](methyl)amino]benzoyl]-N(1),N(5)-didecyl-; Pentanediamide,4-diamino-6-pteridinyl)methyl] (methyl)amino]benzoyl]amino]-N,N'-didecyl-, L-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677942	.	.	.	.	733	C40H64N10O3	194	1010	6.7	53	5	10	27	"InChI=1S/C40H64N10O3/c1-4-6-8-10-12-14-16-18-26-43-34(51)25-24-33(39(53)44-27-19-17-15-13-11-9-7-5-2)47-38(52)30-20-22-32(23-21-30)50(3)29-31-28-45-37-35(46-31)36(41)48-40(42)49-37/h20-23,28,33H,4-19,24-27,29H2,1-3H3,(H,43,51)(H,44,53)(H,47,52)(H4,41,42,45,48,49)"	CCCCCCCCCCNC(=O)CCC(C(=O)NCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N	JHUNGZQPXRVEDL-UHFFFAOYSA-N
DG56572	"5, 6-[[2-(4-Hydroxy-3-methoxyphenyl) ethyl]amino]-"	386227	"MLS002702296; NSC677944; CHEMBL1729804; CHEMBL1994127; NSC-677944; NCI60_027851; 5, 6-[[2-(4-hydroxy-3-methoxyphenyl) ethyl]amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677944	.	.	.	.	324.3	C18H16N2O4	88.5	519	2.5	24	2	6	5	"InChI=1S/C18H16N2O4/c1-24-16-9-11(4-5-14(16)21)6-8-19-13-10-15(22)17-12(18(13)23)3-2-7-20-17/h2-5,7,9-10,19,21H,6,8H2,1H3"	COC1=C(C=CC(=C1)CCNC2=CC(=O)C3=C(C2=O)C=CC=N3)O	SKWUKKCGGDTCMI-UHFFFAOYSA-N
DG56573	"Quinoline-5, 6-[(3-hydroxy-3-phenyl-2-propyl)amino]-"	386228	"NSC-677945; NSC677945; CHEMBL1981973; NCI60_027852; Quinoline-5, 6-[(3-hydroxy-3-phenyl-2-propyl)amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677945	.	.	.	.	308.3	C18H16N2O3	79.3	497	2.2	23	2	5	4	"InChI=1S/C18H16N2O3/c1-11(17(22)12-6-3-2-4-7-12)20-14-10-15(21)16-13(18(14)23)8-5-9-19-16/h2-11,17,20,22H,1H3"	CC(C(C1=CC=CC=C1)O)NC2=CC(=O)C3=C(C2=O)C=CC=N3	QGPJZWANENWRKK-UHFFFAOYSA-N
DG56574	"5, 6-[[2-(3,4-Dihydroxyphenyl)ethyl] amino]-"	386229	"NSC677947; CHEMBL1978858; NSC-677947; NCI60_027853; 5, 6-[[2-(3,4-dihydroxyphenyl)ethyl] amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677947	.	.	.	.	310.3	C17H14N2O4	99.5	505	2.2	23	3	6	4	"InChI=1S/C17H14N2O4/c20-13-4-3-10(8-14(13)21)5-7-18-12-9-15(22)16-11(17(12)23)2-1-6-19-16/h1-4,6,8-9,18,20-21H,5,7H2"	C1=CC2=C(C(=O)C=C(C2=O)NCCC3=CC(=C(C=C3)O)O)N=C1	SPGLZCDHXNLXIV-UHFFFAOYSA-N
DG56575	"5, 7-[[2-(4-Hydroxy-3-methoxyphenyl) ethyl]amino]-"	386230	"NSC-677948; NSC677948; CHEMBL1999701; NCI60_027854; 5, 7-[[2-(4-hydroxy-3-methoxyphenyl) ethyl]amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677948	.	.	.	.	324.3	C18H16N2O4	88.5	519	2.5	24	2	6	5	"InChI=1S/C18H16N2O4/c1-24-16-9-11(4-5-14(16)21)6-8-19-13-10-15(22)12-3-2-7-20-17(12)18(13)23/h2-5,7,9-10,19,21H,6,8H2,1H3"	COC1=C(C=CC(=C1)CCNC2=CC(=O)C3=C(C2=O)N=CC=C3)O	FSDMHSWNWWKMIF-UHFFFAOYSA-N
DG56576	CID 386231	386231	"MLS002702297; CHEMBL339439; NSC-677949; NSC677949; CHEMBL1698802; CHEMBL1974142; NCI60_027855; Quinoline-5, 7-[(3-hydroxy-3-phenyl-2-propyl)amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677949	.	.	.	.	308.3	C18H16N2O3	79.3	497	2.2	23	2	5	4	"InChI=1S/C18H16N2O3/c1-11(17(22)12-6-3-2-4-7-12)20-14-10-15(21)13-8-5-9-19-16(13)18(14)23/h2-11,17,20,22H,1H3"	CC(C(C1=CC=CC=C1)O)NC2=CC(=O)C3=C(C2=O)N=CC=C3	BOVPOLASCBFBRX-UHFFFAOYSA-N
DG56577	"5, 6-[[2-(3,4-Dimethoxyphenyl)ethyl] amino]-"	386232	"NSC677950; CHEMBL1992162; NSC-677950; NCI60_027856; 5, 6-[[2-(3,4-dimethoxyphenyl)ethyl] amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677950	.	.	.	.	338.4	C19H18N2O4	77.5	534	2.8	25	1	6	6	"InChI=1S/C19H18N2O4/c1-24-16-6-5-12(10-17(16)25-2)7-9-20-14-11-15(22)18-13(19(14)23)4-3-8-21-18/h3-6,8,10-11,20H,7,9H2,1-2H3"	COC1=C(C=C(C=C1)CCNC2=CC(=O)C3=C(C2=O)C=CC=N3)OC	GBMXZBOSWWULNX-UHFFFAOYSA-N
DG56578	3beta-Hydroxy-16beta-morpholino-5-androsten-17-one	386233	NSC677951; CHEMBL1992143; NSC-677951; NCI60_027857; 3.beta.-Hydroxy-16.beta.-morpholino-5-androsten-17-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677951	.	.	.	.	373.5	C23H35NO3	49.8	654	3	27	1	4	1	"InChI=1S/C23H35NO3/c1-22-7-5-16(25)13-15(22)3-4-17-18(22)6-8-23(2)19(17)14-20(21(23)26)24-9-11-27-12-10-24/h3,16-20,25H,4-14H2,1-2H3/t16-,17+,18-,19-,20-,22-,23-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H](C4=O)N5CCOCC5)C)O	OJJIUBVDSXQWGO-HVWUICSASA-N
DG56579	16beta-Morpholino-3beta-pyrrolidino-5-androsten-17beta-ol-acetate	386237	NSC677955; CHEMBL1971304; NSC-677955; NCI60_027861; 16.beta.-Morpholino-3.beta.-pyrrolidino-5-androsten-17.beta.-ol-acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677955	.	.	.	.	470.7	C29H46N2O3	42	816	4.5	34	0	5	4	"InChI=1S/C29H46N2O3/c1-20(32)34-27-26(31-14-16-33-17-15-31)19-25-23-7-6-21-18-22(30-12-4-5-13-30)8-10-28(21,2)24(23)9-11-29(25,27)3/h6,22-27H,4-5,7-19H2,1-3H3/t22-,23+,24-,25-,26-,27-,28-,29-/m0/s1"	CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)N5CCCC5)C)C)N6CCOCC6	YKZMKGHWQZKTFR-IPQAMJNRSA-N
DG56580	16beta-Piperidino-3beta-pyrrolidino-5-androsten-17beta-ol-acetate	386239	NSC677957; CHEMBL1993152; NSC-677957; NCI60_027863; 16.beta.-piperidino-3.beta.-pyrrolidino-5-androsten-17.beta.-ol-acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677957	.	.	.	.	468.7	C30H48N2O2	32.8	813	5.7	34	0	4	4	"InChI=1S/C30H48N2O2/c1-21(33)34-28-27(32-17-5-4-6-18-32)20-26-24-10-9-22-19-23(31-15-7-8-16-31)11-13-29(22,2)25(24)12-14-30(26,28)3/h9,23-28H,4-8,10-20H2,1-3H3/t23-,24+,25-,26-,27-,28-,29-,30-/m0/s1"	CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)N5CCCC5)C)C)N6CCCCC6	ZMYMVZQANNBEGQ-HYAUSYAKSA-N
DG56581	"16beta-N-methylpiperazino-5-androstene-3beta,17beta-diol"	386241	"NSC677959; CHEMBL1975651; NSC-677959; NCI60_027865; 16.beta.-N-methylpiperazino-5-androstene-3.beta.,17.beta.-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677959	.	.	.	.	388.6	C24H40N2O2	46.9	643	3.1	28	2	4	1	"InChI=1S/C24H40N2O2/c1-23-8-6-17(27)14-16(23)4-5-18-19(23)7-9-24(2)20(18)15-21(22(24)28)26-12-10-25(3)11-13-26/h4,17-22,27-28H,5-15H2,1-3H3/t17-,18+,19-,20-,21-,22-,23-,24-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H]([C@@H]4O)N5CCN(CC5)C)C)O	RKWUYOJWRZWYOD-XBUBOJNLSA-N
DG56582	"16beta-N-methylpiperazino-5-androstene-3beta,17beta-diol-diacetate"	386242	"NSC677960; CHEMBL1977696; NSC-677960; NCI60_027866; 16.beta.-N-methylpiperazino-5-androstene-3.beta.,17.beta.-diol-diacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677960	.	.	.	.	472.7	C28H44N2O4	59.1	849	4.1	34	0	6	5	"InChI=1S/C28H44N2O4/c1-18(31)33-21-8-10-27(3)20(16-21)6-7-22-23(27)9-11-28(4)24(22)17-25(26(28)34-19(2)32)30-14-12-29(5)13-15-30/h6,21-26H,7-17H2,1-5H3/t21-,22+,23-,24-,25-,26-,27-,28-/m0/s1"	CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)C[C@@H]([C@@H]4OC(=O)C)N5CCN(CC5)C)C)C	MLYWNJCQFJMIOA-JWLDDNKLSA-N
DG56583	16beta-N-methylpiperazino-3beta-pyrrolidino-5-androsten-17-ol	386243	NSC677961; CHEMBL2003611; NSC-677961; NCI60_027867; 16.beta.-N-methylpiperazino-3.beta.-pyrrolidino-5-androsten-17-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677961	.	.	.	.	441.7	C28H47N3O	30	739	4.3	32	1	4	2	"InChI=1S/C28H47N3O/c1-27-10-8-21(30-12-4-5-13-30)18-20(27)6-7-22-23(27)9-11-28(2)24(22)19-25(26(28)32)31-16-14-29(3)15-17-31/h6,21-26,32H,4-5,7-19H2,1-3H3/t21-,22+,23-,24-,25-,26-,27-,28-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H]([C@@H]4O)N5CCN(CC5)C)C)N6CCCC6	OXHRDUFEBLJRIY-JWLDDNKLSA-N
DG56584	16beta-N-methylpiperazino-3beta-pyrrolidino-5-androstene-17beta-acetate	386244	NSC677962; CHEMBL1983065; NSC-677962; NCI60_027868; 16.beta.-N-methylpiperazino-3.beta.-pyrrolidino-5-androstene-17.beta.-acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677962	.	.	.	.	483.7	C30H49N3O2	36	845	4.7	35	0	5	4	"InChI=1S/C30H49N3O2/c1-21(34)35-28-27(33-17-15-31(4)16-18-33)20-26-24-8-7-22-19-23(32-13-5-6-14-32)9-11-29(22,2)25(24)10-12-30(26,28)3/h7,23-28H,5-6,8-20H2,1-4H3/t23-,24+,25-,26-,27-,28-,29-,30-/m0/s1"	CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)N5CCCC5)C)C)N6CCN(CC6)C	FWYIUNGXODKFCU-HYAUSYAKSA-N
DG56585	"1,3-Bis(2,6-dichlorobenzyl)-5-fluoropyrimidine-2,4(1h,3h)-dione"	386256	"NSC677999; CHEMBL1984851; ZINC1647091; 1,3-bis(2,6-dichlorobenzyl)-5-fluoropyrimidine-2,4(1h,3h)-dione; STL327174; AKOS022138374; MCULE-6394866775; NSC-677999; NCI60_027884; 1,3-Bis(2,6-dichlorobenzyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione; 1,3-bis[(2,6-dichlorophenyl)methyl]-5-fluoro-pyrimidine-2,4-dione; 372183-30-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677999	.	.	.	.	448.1	C18H11Cl4FN2O2	40.6	600	5.2	27	0	3	4	"InChI=1S/C18H11Cl4FN2O2/c19-12-3-1-4-13(20)10(12)7-24-9-16(23)17(26)25(18(24)27)8-11-14(21)5-2-6-15(11)22/h1-6,9H,7-8H2"	C1=CC(=C(C(=C1)Cl)CN2C=C(C(=O)N(C2=O)CC3=C(C=CC=C3Cl)Cl)F)Cl	HZHUEKUZQLHQCE-UHFFFAOYSA-N
DG56586	"2,5-Bis((4-methylphenyl)sulfonyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine"	386263	"NSC678006; CHEMBL1985419; ZINC1647096; 2,5-Bis((4-methylphenyl)sulfonyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine; NSC-678006; NCI60_027891; 2,5-bis(p-tolylsulfonyl)-1,3,4,6-tetrahydro-2,5-benzodiazocine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678006	.	.	.	.	470.6	C24H26N2O4S2	91.5	747	3.7	32	0	6	4	"InChI=1S/C24H26N2O4S2/c1-19-7-11-23(12-8-19)31(27,28)25-15-16-26(18-22-6-4-3-5-21(22)17-25)32(29,30)24-13-9-20(2)10-14-24/h3-14H,15-18H2,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)C	UOZCDCMCXKXDBE-UHFFFAOYSA-N
DG56587	2-ethoxy-6-[(E)-[2-[[2-[(E)-(3-ethoxy-2-hydroxy-phenyl)methyleneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol	386264	NSC678007; CHEMBL1999652; ZINC1647099; ZINC104314043; ZINC104314045; NSC-678007; NCI60_027892; 2-Ethoxy-6-(((2-((2-((3-ethoxy-2-hydroxybenzylidene)amino)phenyl)dithio)phenyl)imino)methyl)phenol; 2-ethoxy-6-[(E)-[2-[[2-[(E)-(3-ethoxy-2-hydroxy-phenyl)methyleneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678007	.	.	.	.	544.7	C30H28N2O4S2	134	681	6.6	38	2	8	11	"InChI=1S/C30H28N2O4S2/c1-3-35-25-15-9-11-21(29(25)33)19-31-23-13-5-7-17-27(23)37-38-28-18-8-6-14-24(28)32-20-22-12-10-16-26(30(22)34)36-4-2/h5-20,33-34H,3-4H2,1-2H3"	CCOC1=CC=CC(=C1O)C=NC2=CC=CC=C2SSC3=CC=CC=C3N=CC4=C(C(=CC=C4)OCC)O	KNJSEVWCSBBTTF-UHFFFAOYSA-N
DG56588	"1,4-Bis{[3-(morpholin-4-yl)propyl]amino}anthracene-9,10-dione"	386271	"166895-45-0; 1,4-bis{[3-(morpholin-4-yl)propyl]amino}anthracene-9,10-dione; NSC678028; Anthraquinone, 1,4-bis((3-morpholinopropyl)amino)-; SCHEMBL9239646; CHEMBL1995017; DTXSID10937252; 1,4-Bis((3-(4-morpholinyl)propyl)amino)-9,10-anthracenedione; 9,10-Anthracenedione, 1,4-bis((3-(4-morpholinyl)propyl)amino)-; ZINC31870609; NSC-678028; NCI60_027899; 1,4-bis-[(3'-N-Morpholino)propylamino]anthraquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678028	.	.	.	.	492.6	C28H36N4O4	83.1	664	4	36	2	8	10	"InChI=1S/C28H36N4O4/c33-27-21-5-1-2-6-22(21)28(34)26-24(30-10-4-12-32-15-19-36-20-16-32)8-7-23(25(26)27)29-9-3-11-31-13-17-35-18-14-31/h1-2,5-8,29-30H,3-4,9-20H2"	C1COCCN1CCCNC2=C3C(=C(C=C2)NCCCN4CCOCC4)C(=O)C5=CC=CC=C5C3=O	LZQHTOSKYAEQBZ-UHFFFAOYSA-N
DG56589	4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one	386272	NSC678029; 4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one; 4-phenacyloxychromen-2-one; SCHEMBL8397889; CHEMBL1981993; DTXSID60327705; ZINC1647106; NSC-678029; 81263-52-7; NCI60_027900; 4-(2-Oxo-2-phenylethoxy)-2H-chromen-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678029	.	.	.	.	280.27	C17H12O4	52.6	434	3	21	0	4	4	"InChI=1S/C17H12O4/c18-14(12-6-2-1-3-7-12)11-20-16-10-17(19)21-15-9-5-4-8-13(15)16/h1-10H,11H2"	C1=CC=C(C=C1)C(=O)COC2=CC(=O)OC3=CC=CC=C32	SNHRPWBRXQFXNV-UHFFFAOYSA-N
DG56590	1-Adamantyl-[3-(3-nitrophenyl)oxiran-2-yl]methanone	386283	"NSC678040; 1-adamantyl-[3-(3-nitrophenyl)oxiran-2-yl]methanone; CHEMBL1997446; NSC-678040; NCI60_027911; Methanone,7)]decan-1-yl) [3-(3-nitrophenyl)-2-oxiranyl]-; 1-Adamantyl(3-(3-(hydroxy(oxido)amino)phenyl)-2-oxiranyl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678040	.	.	.	.	327.4	C19H21NO4	75.4	527	3.6	24	0	4	3	"InChI=1S/C19H21NO4/c21-18(19-8-11-4-12(9-19)6-13(5-11)10-19)17-16(24-17)14-2-1-3-15(7-14)20(22)23/h1-3,7,11-13,16-17H,4-6,8-10H2"	C1C2CC3CC1CC(C2)(C3)C(=O)C4C(O4)C5=CC(=CC=C5)[N+](=O)[O-]	DWOPRENAUBUKIB-UHFFFAOYSA-N
DG56591	1-Adamantyl-[3-(4-nitrophenyl)oxiran-2-yl]methanone	386284	NSC678041; 1-adamantyl-[3-(4-nitrophenyl)oxiran-2-yl]methanone; CHEMBL1973784; NSC-678041; NCI60_027912; 1-adamantyl[3-(4-nitrophenyl)-2-oxiranyl]methanone; 1-Adamantyl(3-(4-(hydroxy(oxido)amino)phenyl)-2-oxiranyl)methanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678041	.	.	.	.	327.4	C19H21NO4	75.4	519	3.6	24	0	4	3	"InChI=1S/C19H21NO4/c21-18(19-8-11-5-12(9-19)7-13(6-11)10-19)17-16(24-17)14-1-3-15(4-2-14)20(22)23/h1-4,11-13,16-17H,5-10H2"	C1C2CC3CC1CC(C2)(C3)C(=O)C4C(O4)C5=CC=C(C=C5)[N+](=O)[O-]	CBNWFPTVXBGBFO-UHFFFAOYSA-N
DG56592	1-Adamantyl(3-(4-hydroxyphenyl)-2-oxiranyl)methanone	386287	NSC678044; 1-Adamantyl(3-(4-hydroxyphenyl)-2-oxiranyl)methanone; 1-adamantyl-[3-(4-hydroxyphenyl)oxiran-2-yl]methanone; CHEMBL1985562; NSC-678044; NCI60_027915	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678044	.	.	.	.	298.4	C19H22O3	49.8	436	3.4	22	1	3	3	"InChI=1S/C19H22O3/c20-15-3-1-14(2-4-15)16-17(22-16)18(21)19-8-11-5-12(9-19)7-13(6-11)10-19/h1-4,11-13,16-17,20H,5-10H2"	C1C2CC3CC1CC(C2)(C3)C(=O)C4C(O4)C5=CC=C(C=C5)O	QVCRRWLRMOGIHT-UHFFFAOYSA-N
DG56593	"[3,4,5-Triacetoxy-6-[1-cyano-4-(2-thienyl)-2-thioxo-5,6-dihydrobenzo[f]isoquinolin-3-yl]tetrahydropyran-2-yl]methyl acetate"	386291	"NSC678049; CHEMBL1967683; NSC-678049; NCI60_027920; [3,4,5-triacetoxy-6-[1-cyano-4-(2-thienyl)-2-thioxo-5,6-dihydrobenzo[f]isoquinolin-3-yl]tetrahydropyran-2-yl]methyl acetate; Benz[f]isoquinoline-1-carbonitrile, 2,3,5,6-tetrahydro-3-(2,3,4,6-tetra-O-acetylhexopyranosyl)-4-(2-thienyl)-2-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678049	.	.	.	.	650.7	C32H30N2O9S2	202	1370	2.9	45	0	12	11	"InChI=1S/C32H30N2O9S2/c1-16(35)39-15-24-28(40-17(2)36)29(41-18(3)37)30(42-19(4)38)31(43-24)34-27(25-10-7-13-45-25)22-12-11-20-8-5-6-9-21(20)26(22)23(14-33)32(34)44/h5-10,13,24,28-31H,11-12,15H2,1-4H3"	CC(=O)OCC1C(C(C(C(O1)N2C(=C3CCC4=CC=CC=C4C3=C(C2=S)C#N)C5=CC=CS5)OC(=O)C)OC(=O)C)OC(=O)C	RXGHYFCGJKFNMH-UHFFFAOYSA-N
DG56594	"[3,4,5-Triacetoxy-6-[6-(4-chlorophenyl)-3-cyano-2-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate"	386296	"NSC678058; MLS002702298; NSC678057; CHEMBL1723652; NSC-678057; NSC-678058; NCI60_027928; NCI60_027929; SMR001565860; Pyridine-3-carbonitrile,2-dihydro-2-thioxo-, 2',3',4',6'-tetraacetate; [3,4,5-triacetoxy-6-[6-(4-chlorophenyl)-3-cyano-2-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate; 3-Pyridinecarbonitrile, 6-(4-chlorophenyl)-1,2-dihydro-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-2-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678057	.	.	.	.	577	C26H25ClN2O9S	174	1120	2.8	39	0	11	11	"InChI=1S/C26H25ClN2O9S/c1-13(30)34-12-21-22(35-14(2)31)23(36-15(3)32)24(37-16(4)33)25(38-21)29-20(10-7-18(11-28)26(29)39)17-5-8-19(27)9-6-17/h5-10,21-25H,12H2,1-4H3"	CC(=O)OCC1C(C(C(C(O1)N2C(=CC=C(C2=S)C#N)C3=CC=C(C=C3)Cl)OC(=O)C)OC(=O)C)OC(=O)C	XHHBYYJANYLRLB-UHFFFAOYSA-N
DG56595	Meliternin	386319	"Meliternin; Meliternix; NSC678095; 569-18-6; SCHEMBL9063848; CHEMBL1974356; LMPK12113263; NSC-678095; NCI60_027966; 3,7,8-Tetramethoxy-3',4'-methylenedioxyflavone; 3,5,7,8-Tetramethoxy-3',4'-methylenedioxyflavone; 2-(1,3-Benzodioxol-5-yl)-3,5,7,8-tetramethoxy-4H-chromen-4-one; 2-(1,3-benzodioxol-5-yl)-3,5,7,8-tetramethoxy-chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678095	.	.	.	.	386.4	C20H18O8	81.7	619	3.1	28	0	8	5	"InChI=1S/C20H18O8/c1-22-13-8-14(23-2)18(24-3)19-15(13)16(21)20(25-4)17(28-19)10-5-6-11-12(7-10)27-9-26-11/h5-8H,9H2,1-4H3"	COC1=CC(=C(C2=C1C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)OC)OC)OC	OHFDXRKYUVNEDD-UHFFFAOYSA-N
DG56596	Meliternatin	386320	"Meliternatin; NSC678096; 479-78-7; CHEMBL465663; SCHEMBL9063713; LMPK12113025; 3,7,3',4'-bismethylenedioxyflavone; 6-(1,3-benzodioxol-5-yl)-7,9-dimethoxy-[1,3]dioxolo[4,5-g]chromen-8-one; NSC-678096; NCI60_027967; 3,5-Dimethoxy-6,7,3',4'-bismethylenedioxyflavone; 6-(1,3-Benzodioxol-5-yl)-7,9-dimethoxy-8H-[1,3]dioxolo[4,5-g]chromen-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678096	.	.	.	.	370.3	C19H14O8	81.7	633	3	27	0	8	3	"InChI=1S/C19H14O8/c1-21-18-14-12(6-13-17(18)26-8-25-13)27-16(19(22-2)15(14)20)9-3-4-10-11(5-9)24-7-23-10/h3-6H,7-8H2,1-2H3"	COC1=C2C(=CC3=C1OCO3)OC(=C(C2=O)OC)C4=CC5=C(C=C4)OCO5	FMZYQDFWORSVBZ-UHFFFAOYSA-N
DG56597	Melisimplexin	386322	"Melisimplexin; NSC678098; 3,5,6,7-Tetramethoxy-3',4'-methylenedioxyflavone; SCHEMBL9063296; CHEMBL1969511; LMPK12113024; NSC-678098; 479-77-6; NCI60_027969; 3,6,7-Tetramethoxy-3',4'-methylenedioxyflavone; 2-(1,3-Benzodioxol-5-yl)-3,5,6,7-tetramethoxy-4H-chromen-4-one; 2-(1,3-benzodioxol-5-yl)-3,5,6,7-tetramethoxy-chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678098	.	.	.	.	386.4	C20H18O8	81.7	619	3.1	28	0	8	5	"InChI=1S/C20H18O8/c1-22-14-8-13-15(19(24-3)18(14)23-2)16(21)20(25-4)17(28-13)10-5-6-11-12(7-10)27-9-26-11/h5-8H,9H2,1-4H3"	COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC4=C(C=C3)OCO4)OC)OC	ATKXYPOHHYVHEQ-UHFFFAOYSA-N
DG56598	Melibentin	386323	"Melibentin; 3,5,6,7,8-Pentamethoxy-3',4'-methylenedioxyflavone; NSC678099; 5071-42-1; CHEMBL1976139; LMPK12113350; NSC-678099; NCI60_027970; 3,6,7,8-Pentamethoxy-3',4'-methylenedioxyflavone; 2-(1,3-benzodioxol-5-yl)-3,5,6,7,8-pentamethoxy-chromen-4-one; 2-(1,3-Benzodioxol-5-yl)-3,5,6,7,8-pentamethoxy-4H-chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678099	.	.	.	.	416.4	C21H20O9	90.9	665	3.1	30	0	9	6	"InChI=1S/C21H20O9/c1-23-16-13-14(22)18(24-2)15(10-6-7-11-12(8-10)29-9-28-11)30-17(13)20(26-4)21(27-5)19(16)25-3/h6-8H,9H2,1-5H3"	COC1=C(C(=C(C2=C1C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)OC)OC)OC)OC	CRSVEURWRGBEIE-UHFFFAOYSA-N
DG56599	"5,8-Dihydroxy-6,7,3-trimethoxy-3',4'-methylenedioxyflavone"	386325	"NSC678101; CHEMBL2006749; 5,8-Dihydroxy-6,7,3-trimethoxy-3',4'-methylenedioxyflavone; NSC-678101; NCI60_027972; 5,7,3-trimethoxy-3',4'-methylenedioxyflavone; 2-(1,3-benzodioxol-5-yl)-5,8-dihydroxy-3,6,7-trimethoxy-chromen-4-one; 2-(1,3-Benzodioxol-5-yl)-5,8-dihydroxy-3,6,7-trimethoxy-4H-chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678101	.	.	.	.	388.3	C19H16O9	113	635	3	28	2	9	4	"InChI=1S/C19H16O9/c1-23-17-12(20)11-13(21)18(24-2)19(25-3)14(22)16(11)28-15(17)8-4-5-9-10(6-8)27-7-26-9/h4-6,21-22H,7H2,1-3H3"	COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)OC)O)OC	UHHDDYKSLMZWAD-UHFFFAOYSA-N
DG56600	1-(2-Fluorobenzyl)-3-methoxy-5-nitro-1h-indazole	386341	NSC678124; 1-(2-fluorobenzyl)-3-methoxy-5-nitro-1h-indazole; CHEMBL2005298; NSC-678124; NCI60_027987; 1-[(2-fluorophenyl)methyl]-3-methoxy-5-nitro-indazole; 1-(2-Fluorobenzyl)-5-(hydroxy(oxido)amino)-3-methoxy-1H-indazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678124	.	.	.	.	301.27	C15H12FN3O3	72.9	406	3.4	22	0	5	3	"InChI=1S/C15H12FN3O3/c1-22-15-12-8-11(19(20)21)6-7-14(12)18(17-15)9-10-4-2-3-5-13(10)16/h2-8H,9H2,1H3"	COC1=NN(C2=C1C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3F	ZKVBUVHEILDNMG-UHFFFAOYSA-N
DG56601	"1H-indazole, 3-methoxy-1-[(2-methoxyphenyl)methyl]-5-nitro-"	386342	"NSC678125; CHEMBL2003954; 1H-indazole, 3-methoxy-1-[(2-methoxyphenyl)methyl]- 5-nitro-; NSC-678125; NCI60_027988; 1-(2-Methoxybenzyl)-3-methoxy-5-nitro-1H-indazole; 3-methoxy-1-[(2-methoxyphenyl)methyl]-5-nitro-indazole; 1H-Indazole, {3-methoxy-1-[(2-methoxyphenyl)methyl]-} 5-nitro-; 5-(Hydroxy(oxido)amino)-3-methoxy-1-(2-methoxybenzyl)-1H-indazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678125	.	.	.	.	313.31	C16H15N3O4	82.1	417	3.3	23	0	5	4	"InChI=1S/C16H15N3O4/c1-22-15-6-4-3-5-11(15)10-18-14-8-7-12(19(20)21)9-13(14)16(17-18)23-2/h3-9H,10H2,1-2H3"	COC1=CC=CC=C1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OC	YXSOAIBTQVDWGA-UHFFFAOYSA-N
DG56602	"1,2-Dibenzyl-5-nitro-1,2-dihydro-3h-indazol-3-one"	386345	"NSC678128; 1,2-dibenzyl-5-nitro-1,2-dihydro-3h-indazol-3-one; CHEMBL1971706; 1,2-dibenzyl-5-nitro-indazol-3-one; NSC-678128; NCI60_027991; 1,2-Dibenzyl-5-(hydroxy(oxido)amino)-1,2-dihydro-3H-indazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678128	.	.	.	.	359.4	C21H17N3O3	69.4	537	4.3	27	0	4	4	"InChI=1S/C21H17N3O3/c25-21-19-13-18(24(26)27)11-12-20(19)22(14-16-7-3-1-4-8-16)23(21)15-17-9-5-2-6-10-17/h1-13H,14-15H2"	C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CC4=CC=CC=C4	STOSUNWOWGFJLD-UHFFFAOYSA-N
DG56603	"5H-Naphtho[2,3-c][1]benzazepine-6,13-dione"	386348	"NSC678131; 5H-Naphtho[2,3-c][1]benzazepine-6,13-dione; CHEMBL1976124; NSC-678131; NCI60_027994; 13-Aza-13H-benzo[4,5]cyclohepta[1,2-b]naphthalene-5,12-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678131	.	.	.	.	273.3	C18H11NO2	46.2	447	3.5	21	1	2	0	"InChI=1S/C18H11NO2/c20-17-13-7-3-4-8-16(13)19-18(21)15-10-12-6-2-1-5-11(12)9-14(15)17/h1-10H,(H,19,21)"	C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC=CC=C4NC3=O	VYDOFBFPAMJVGT-UHFFFAOYSA-N
DG56604	"4-Hexadecyl-2,6,6-trimethyl-1,3,6lambda~5~,2-dioxazaphosphocane 2-oxide hydrobromide"	386352	"NSC678144; (4S)-4-hexadecyl-2,6,6-trimethyl-1,3,6,2$l^{5}-dioxazaphosphocan-6-ium 2-oxide; 4-Hexadecyl-2,6,6-trimethyl-1,3,6lambda~5~,2-dioxazaphosphocane 2-oxide hydrobromide; 4H-1,3,6,2-Dioxazaphosphocinium, 4-hexadecyltetrahydro- 2,6, 6-trimethyl-, bromide, 2-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678144	.	.	.	.	498.5	C23H49BrNO3P	35.5	428	.	29	0	4	15	"InChI=1S/C23H49NO3P.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-22-24(2,3)20-21-26-28(4,25)27-23;/h23H,5-22H2,1-4H3;1H/q+1;/p-1/t23-,28 ;/m0./s1"	CCCCCCCCCCCCCCCC[C@H]1C[N+](CCOP(=O)(O1)C)(C)C.[Br-]	GJVZYQWEUPEDEU-BRRAAXJPSA-M
DG56605	Bis(2-hydroxyethyl)-(2-hydroxyhexadecyl)-methyl-ammonium	386356	"NSC678146; SMR001565862; NCIChal_000025; cid_386355; CHEMBL1740837; BDBM80996; NCI60_028000; bis(2-hydroxyethyl)-(2-hydroxyhexadecyl)-methyl-ammonium; bis(2-hydroxyethyl)-(2-hydroxyhexadecyl)-methylazanium;chloride; N,N-Bis(2-hydroxyethyl)-N-methyl-2-hydroxyhexadecane-1-aminium; bis(2-hydroxyethyl)-(2-hydroxyhexadecyl)-methyl-ammonium;chloride; bis(2-hydroxyethyl)-(2-hydroxyhexadecyl)-methylammonium;chloride; bis(2-hydroxyethyl)-methyl-(2-oxidanylhexadecyl)azanium;chloride; 1-(Bis(2-hydroxyethyl)(methyl)-lambda~5~-azanyl)-2-hexadecanol hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678146	.	.	.	.	360.6	C21H46NO3+	60.7	268	5.5	25	3	3	19	"InChI=1S/C21H46NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)20-22(2,16-18-23)17-19-24/h21,23-25H,3-20H2,1-2H3/q+1"	CCCCCCCCCCCCCCC(C[N+](C)(CCO)CCO)O	FUJQMAPXIBDMMZ-UHFFFAOYSA-N
DG56606	N-[3-[4-[4-(3-azidophenothiazin-10-yl)butyl]piperazin-1-yl]-3-oxo-propyl]-2-(4-benzoylphenyl)acetamide	386360	"NSC678156; CHEMBL2003849; NSC-678156; NCI60_028004; 2-(4-Benzoylphenyl)-N-(3-oxo-3-(4-(4-(3-(2.lambda.~5~-1,2-triazadienyl)-10H-phenothiazin-10-yl)butyl)-1-piperazinyl)propyl)acetamide; N-[3-[4-[4-(3-azidophenothiazin-10-yl)butyl]piperazin-1-yl]-3-oxo-propyl]-2-(4-benzoylphenyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678156	.	.	.	.	673.8	C38H39N7O3S	113	1140	6.9	49	1	8	13	"InChI=1S/C38H39N7O3S/c39-42-41-31-16-17-33-35(27-31)49-34-11-5-4-10-32(34)45(33)21-7-6-20-43-22-24-44(25-23-43)37(47)18-19-40-36(46)26-28-12-14-30(15-13-28)38(48)29-8-2-1-3-9-29/h1-5,8-17,27H,6-7,18-26H2,(H,40,46)"	C1CN(CCN1CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42)C(=O)CCNC(=O)CC5=CC=C(C=C5)C(=O)C6=CC=CC=C6	IKKWZVWKXUWXRA-UHFFFAOYSA-N
DG56607	3-(4-Chloro-phenoxy)-4-phenyl-7-acetoxy-coumarin	386367	NSC678251; 3-(4-Chloro-phenoxy)-4-phenyl-7-acetoxy-coumarin; CHEMBL1996594; ZINC1647188; NSC-678251; NCI60_028011; [3-(4-chlorophenoxy)-2-oxo-4-phenyl-chromen-7-yl] acetate; 3-(4-Chlorophenoxy)-2-oxo-4-phenyl-2H-chromen-7-yl acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678251	.	.	.	.	406.8	C23H15ClO5	61.8	646	5.2	29	0	5	5	"InChI=1S/C23H15ClO5/c1-14(25)27-18-11-12-19-20(13-18)29-23(26)22(21(19)15-5-3-2-4-6-15)28-17-9-7-16(24)8-10-17/h2-13H,1H3"	CC(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3=CC=C(C=C3)Cl)C4=CC=CC=C4	QNPBKJAMEXFECL-UHFFFAOYSA-N
DG56608	"1,4-Bis((2,5-dichlorophenyl)sulfonyl)piperazine"	386372	"NSC678256; 1,4-Bis((2,5-dichlorophenyl)sulfonyl)piperazine; 1,4-bis[(2,5-dichlorophenyl)sulfonyl]piperazine; Oprea1_397346; Oprea1_641432; CHEMBL1990984; ZINC831027; AKOS003628412; MCULE-3375609758; NSC-678256; NCI60_028016"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678256	.	.	.	.	504.2	C16H14Cl4N2O4S2	91.5	684	4.2	28	0	6	4	"InChI=1S/C16H14Cl4N2O4S2/c17-11-1-3-13(19)15(9-11)27(23,24)21-5-7-22(8-6-21)28(25,26)16-10-12(18)2-4-14(16)20/h1-4,9-10H,5-8H2"	C1CN(CCN1S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl	NQSRRVDPIUHVKK-UHFFFAOYSA-N
DG56609	"1-(3-Chlorophenyl)-4-(2,5-dichlorobenzoyl)piperazine"	386373	"NSC678257; 1-(3-Chlorophenyl)-4-(2,5-dichlorobenzoyl)piperazine; Oprea1_042305; Oprea1_152846; CHEMBL2000747; ZINC678052; [4-(3-chlorophenyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone; STK094679; AKOS000677920; MCULE-5057638390; NSC-678257; NCI60_028017; AG-690/12242524; [4-(3-chlorophenyl)piperazino](2,5-dichlorophenyl)methanone; [4-(3-chlorophenyl)piperazin-1-yl](2,5-dichlorophenyl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678257	.	.	.	.	369.7	C17H15Cl3N2O	23.6	415	4.9	23	0	2	2	"InChI=1S/C17H15Cl3N2O/c18-12-2-1-3-14(10-12)21-6-8-22(9-7-21)17(23)15-11-13(19)4-5-16(15)20/h1-5,10-11H,6-9H2"	C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=C(C=CC(=C3)Cl)Cl	QOGJNYXSKWRPEZ-UHFFFAOYSA-N
DG56610	"1-(2,5-Dichlorobenzoyl)-4-(3,4-dichlorophenyl)piperazine"	386374	"NSC678258; CHEMBL1995438; SCHEMBL16276051; 1-(2,5-Dichlorobenzoyl)-4-(3,4-dichlorophenyl)piperazine; (2,5-dichlorophenyl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone; NSC-678258; NCI60_028018"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678258	.	.	.	.	404.1	C17H14Cl4N2O	23.6	444	5.5	24	0	2	2	"InChI=1S/C17H14Cl4N2O/c18-11-1-3-14(19)13(9-11)17(24)23-7-5-22(6-8-23)12-2-4-15(20)16(21)10-12/h1-4,9-10H,5-8H2"	C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=O)C3=C(C=CC(=C3)Cl)Cl	FSOOSFAWPYBMSB-UHFFFAOYSA-N
DG56611	"methyl 5-acetamido-4-acetyloxy-2-heptan-2-ylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate"	386382	"NSC678353; CHEMBL1992620; NSC-678353; NCI60_028026; Methyl 5-acetamido-4,8,9-O-acetyl-3,5-dideoxy-2-S-(2'-heptyl)-2-thio-D-glycero-.alpha.-D-galacto-2-nonulopyranosonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678353	.	.	.	.	605.7	C27H43NO12S	195	943	3.8	41	1	13	20	"InChI=1S/C27H43NO12S/c1-9-10-11-12-15(2)41-27(26(34)35-8)13-21(37-18(5)31)23(28-16(3)29)25(40-27)24(39-20(7)33)22(38-19(6)32)14-36-17(4)30/h15,21-25H,9-14H2,1-8H3,(H,28,29)/t15 ,21 ,22-,23 ,24-,25 ,27 /m1/s1"	CCCCCC(C)SC1(CC(C(C(O1)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC	CGQAGIOIJDHBLL-XJLIWUQFSA-N
DG56612	L-LYS-L-p-NO2Phe-L-Ala-L-p-NO2PheNH2	386384	"NSC678355; L-LYS-L-p-NO2Phe-L-Ala-L-p-NO2PheNH2; CHEMBL2006716; NSC-678355; NCI60_028028; 2,6-Diamino-N-(2-((2-((2-amino-1-(4-(hydroxy(oxido)amino)benzyl)-2-oxoethyl)amino)-1-methyl-2-oxoethyl)amino)-1-(4-(hydroxy(oxido)amino)benzyl)-2-oxoethyl)hexanamide; 2,6-diamino-N-[2-[[2-[[2-amino-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]hexanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678355	.	.	.	.	600.6	C27H36N8O8	274	971	-0.5	43	6	10	15	"InChI=1S/C27H36N8O8/c1-16(25(37)32-22(24(30)36)14-17-5-9-19(10-6-17)34(40)41)31-27(39)23(33-26(38)21(29)4-2-3-13-28)15-18-7-11-20(12-8-18)35(42)43/h5-12,16,21-23H,2-4,13-15,28-29H2,1H3,(H2,30,36)(H,31,39)(H,32,37)(H,33,38)"	CC(C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N)NC(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C(CCCCN)N	QLUJJUWCLAZBOA-UHFFFAOYSA-N
DG56613	"2-((6,8-Dichloro-2-hydroxy-4-methylpyrimido[4,5-b]quinolin-5-yl)amino)-2-methyl-1,3-propanediol"	386385	"NSC678356; CHEMBL1966113; NSC-678356; 2-((6,8-Dichloro-2-hydroxy-4-methylpyrimido[4,5-b]quinolin-5-yl)amino)-2-methyl-1,3-propanediol; NCI60_028029; 6,8-Dichloro-4-methyl-5-[[1,1-bis(hydroxymethyl)ethyl]amino]pyrimido[4,5-b]quinolin-2-ol; 2-[(6,8-dichloro-2-hydroxy-4-methyl-pyrimido[4,5-b]quinolin-5-yl)amino]-2-methyl-propane-1,3-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678356	.	.	.	.	383.2	C16H16Cl2N4O3	106	845	0.4	25	4	4	4	"InChI=1S/C16H16Cl2N4O3/c1-7-11-13(22-16(2,5-23)6-24)12-9(18)3-8(17)4-10(12)20-14(11)21-15(25)19-7/h3-4,23-24H,5-6H2,1-2H3,(H2,19,20,21,22,25)"	CC1=C2C(=C3C(=CC(=CC3=NC2=NC(=O)N1)Cl)Cl)NC(C)(CO)CO	CEROURMTWFNICX-UHFFFAOYSA-N
DG56614	"2-((7-Ethoxy-2-hydroxy-4-methylpyrimido[4,5-b]quinolin-5-yl)amino)-2-methyl-1,3-propanediol"	386386	"NSC678357; CHEMBL1989751; NSC-678357; 2-((7-Ethoxy-2-hydroxy-4-methylpyrimido[4,5-b]quinolin-5-yl)amino)-2-methyl-1,3-propanediol; NCI60_028030; 7-Ethoxy-4-methyl-5-[[1,1-bis(hydroxymethyl)ethyl]amino]pyrimido[4,5-b]quinolin-2-ol; 2-[(7-ethoxy-2-hydroxy-4-methyl-pyrimido[4,5-b]quinolin-5-yl)amino]-2-methyl-propane-1,3-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678357	.	.	.	.	358.4	C18H22N4O4	116	826	-0.2	26	4	5	6	"InChI=1S/C18H22N4O4/c1-4-26-11-5-6-13-12(7-11)15(22-18(3,8-23)9-24)14-10(2)19-17(25)21-16(14)20-13/h5-7,23-24H,4,8-9H2,1-3H3,(H2,19,20,21,22,25)"	CCOC1=CC2=C(C3=C(NC(=O)N=C3N=C2C=C1)C)NC(C)(CO)CO	KGOJPEJFYLHNCM-UHFFFAOYSA-N
DG56615	N-(1-Anthryl)-2-hydroxy-4-((2-((2-hydroxyethyl)amino)ethyl)amino)-6-methyl-5-pyrimidinecarboxamide	386388	NSC678359; CHEMBL1974065; NSC-678359; NCI60_028032; N-(1-Anthryl)-2-hydroxy-4-((2-((2-hydroxyethyl)amino)ethyl)amino)-6-methyl-5-pyrimidinecarboxamide; N-(1-anthryl)-2-hydroxy-4-[2-(2-hydroxyethylamino)ethylamino]-6-methyl-pyrimidine-5-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678359	.	.	.	.	431.5	C24H25N5O3	115	765	2.5	32	5	4	8	"InChI=1S/C24H25N5O3/c1-15-21(22(29-24(32)27-15)26-10-9-25-11-12-30)23(31)28-20-8-4-7-18-13-16-5-2-3-6-17(16)14-19(18)20/h2-8,13-14,25,30H,9-12H2,1H3,(H,28,31)(H2,26,27,29,32)"	CC1=C(C(=NC(=O)N1)NCCNCCO)C(=O)NC2=CC=CC3=CC4=CC=CC=C4C=C32	NFDFVCRJQZFRGP-UHFFFAOYSA-N
DG56616	N-cyclohexylcyclohexanamine; 2-[[2-[[(E)-(4-methoxyphenyl)iminocarbamoyl]amino]-4-methyl-pentanoyl]amino]acetic acid	386431	"NSC678401; Glycine, dicyclohexylamine salt; CHEMBL1991827; NSC-678401; NCI60_028074; ((2-((((4-Methoxyphenyl)diazenyl)carbonyl)amino)-4-methylpentanoyl)amino)acetic acid compound with N-cyclohexylcyclohexanamine (1:1); N-cyclohexylcyclohexanamine; 2-[[2-[[(E)-(4-methoxyphenyl)iminocarbamoyl]amino]-4-methyl-pentanoyl]amino]acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678401	.	.	.	.	531.7	C28H45N5O5	142	603	.	38	4	7	10	"InChI=1S/C16H22N4O5.C12H23N/c1-10(2)8-13(15(23)17-9-14(21)22)18-16(24)20-19-11-4-6-12(25-3)7-5-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-7,10,13H,8-9H2,1-3H3,(H,17,23)(H,18,24)(H,21,22);11-13H,1-10H2"	CC(C)CC(C(=O)NCC(=O)O)NC(=O)N=NC1=CC=C(C=C1)OC.C1CCC(CC1)NC2CCCCC2	WSHDDMPTBCULEO-UHFFFAOYSA-N
DG56617	N-cyclohexylcyclohexanamine; 2-[[2-[[(E)-(4-methoxyphenyl)iminocarbamoyl]amino]-4-methyl-pentanoyl]amino]propanoic acid	386433	"NSC678402; CHEMBL2002537; L-Alanine, dicyclohexylamine (salt); NSC-678402; NCI60_028075; N-(2-((((4-Methoxyphenyl)diazenyl)carbonyl)amino)-4-methylpentanoyl)alanine compound with N-cyclohexylcyclohexanamine (1:1); N-cyclohexylcyclohexanamine; 2-[[2-[[(E)-(4-methoxyphenyl)iminocarbamoyl]amino]-4-methyl-pentanoyl]amino]propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678402	.	.	.	.	545.7	C29H47N5O5	142	631	.	39	4	7	10	"InChI=1S/C17H24N4O5.C12H23N/c1-10(2)9-14(15(22)18-11(3)16(23)24)19-17(25)21-20-12-5-7-13(26-4)8-6-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-8,10-11,14H,9H2,1-4H3,(H,18,22)(H,19,25)(H,23,24);11-13H,1-10H2"	CC(C)CC(C(=O)NC(C)C(=O)O)NC(=O)N=NC1=CC=C(C=C1)OC.C1CCC(CC1)NC2CCCCC2	OLVXYRIZXPTKQT-UHFFFAOYSA-N
DG56618	N-(2-((((4-Methoxyphenyl)diazenyl)carbonyl)amino)-4-methylpentanoyl)leucine	386435	NSC678403; CHEMBL1976143; NSC-678403; NCI60_028076; N-(2-((((4-Methoxyphenyl)diazenyl)carbonyl)amino)-4-methylpentanoyl)leucine; 2-[[2-[[(E)-(4-methoxyphenyl)iminocarbamoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678403	.	.	.	.	406.5	C20H30N4O5	129	571	4.1	29	3	6	10	"InChI=1S/C20H30N4O5/c1-12(2)10-16(18(25)21-17(19(26)27)11-13(3)4)22-20(28)24-23-14-6-8-15(29-5)9-7-14/h6-9,12-13,16-17H,10-11H2,1-5H3,(H,21,25)(H,22,28)(H,26,27)"	CC(C)CC(C(=O)NC(CC(C)C)C(=O)O)NC(=O)N=NC1=CC=C(C=C1)OC	MJHUJOUZLYEWDE-UHFFFAOYSA-N
DG56619	N-(2-((((4-Methoxyphenyl)diazenyl)carbonyl)amino)-4-methylpentanoyl)phenylalanine	386436	NSC678404; CHEMBL1994997; NSC-678404; NCI60_028077; N-(2-((((4-Methoxyphenyl)diazenyl)carbonyl)amino)-4-methylpentanoyl)phenylalanine; 2-[[2-[[(E)-(4-methoxyphenyl)iminocarbamoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678404	.	.	.	.	440.5	C23H28N4O5	129	640	3.3	32	3	6	10	"InChI=1S/C23H28N4O5/c1-15(2)13-19(25-23(31)27-26-17-9-11-18(32-3)12-10-17)21(28)24-20(22(29)30)14-16-7-5-4-6-8-16/h4-12,15,19-20H,13-14H2,1-3H3,(H,24,28)(H,25,31)(H,29,30)"	CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)N=NC2=CC=C(C=C2)OC	POOWYGANGFCAOK-UHFFFAOYSA-N
DG56620	5-Nitroisoquinolin-1-amine	386442	"5-nitroisoquinolin-1-amine; 98410-86-7; NSC678410; 1-Isoquinolinamine, 5-nitro-; SCHEMBL9836130; ZINC5541166; AKOS033932312; NSC-678410; DA-37066; NCI60_028083; 1-Amino-5-(hydroxy(oxido)amino)isoquinoline; FT-0721505; Z2509351092"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678410	.	.	.	.	189.17	C9H7N3O2	84.7	229	1.6	14	1	4	0	"InChI=1S/C9H7N3O2/c10-9-7-2-1-3-8(12(13)14)6(7)4-5-11-9/h1-5H,(H2,10,11)"	C1=CC2=C(C=CN=C2N)C(=C1)[N+](=O)[O-]	SRYUOKQAZJCHNX-UHFFFAOYSA-N
DG56621	"3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-[(4-methylphenyl)methyl]-4-phenyl-"	386446	"NSC678475; CHEMBL1991246; 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-[(4-methylphenyl)methyl]-4-phenyl-; NSC-678475; NCI60_028087; 4-phenyl-3-(p-tolylmethyl)-1H-1,2,4-triazol-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678475	.	.	.	.	265.31	C16H15N3O	44.7	379	2.9	20	1	2	3	"InChI=1S/C16H15N3O/c1-12-7-9-13(10-8-12)11-15-17-18-16(20)19(15)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,20)"	CC1=CC=C(C=C1)CC2=NNC(=O)N2C3=CC=CC=C3	NTNNEQKPZLRLJX-UHFFFAOYSA-N
DG56622	2-Methyl-8-(1-naphthyl)quinoline	386460	NSC678489; 2-Methyl-8-(1-naphthyl)quinoline; SCHEMBL2116625; CHEMBL1985853; ZINC1647292; NSC-678489; NCI60_028101	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678489	.	.	.	.	269.3	C20H15N	12.9	352	5.5	21	0	1	1	"InChI=1S/C20H15N/c1-14-12-13-16-8-5-11-19(20(16)21-14)18-10-4-7-15-6-2-3-9-17(15)18/h2-13H,1H3"	CC1=NC2=C(C=CC=C2C3=CC=CC4=CC=CC=C43)C=C1	DKPWNBCMBXMQCN-UHFFFAOYSA-N
DG56623	"1,2,5-Triphenyl-1H-phosphole 1-oxide"	386461	"NSC678490; 1,2,5-Triphenyl-1H-phosphole 1-oxide; 1,2,5-Triphenylphospholoxid; CHEMBL1990626; ZINC1647293; NSC-678490; NCI60_028102; 1,2,5-triphenyl-1$l^{5}-phosphole 1-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678490	.	.	.	.	328.3	C22H17OP	17.1	502	4.8	24	0	1	3	InChI=1S/C22H17OP/c23-24(20-14-8-3-9-15-20)21(18-10-4-1-5-11-18)16-17-22(24)19-12-6-2-7-13-19/h1-17H	C1=CC=C(C=C1)C2=CC=C(P2(=O)C3=CC=CC=C3)C4=CC=CC=C4	RYKNOWKNGHQFBI-UHFFFAOYSA-N
DG56624	"9-Phenyl-9-phosphabicyclo[4.2.1]nona-2,4,7-triene"	386462	"NSC678491; 9-Phenyl-9-phosphabicyclo[4.2.1]nona-2,4,7-triene; CHEMBL1980820; SCHEMBL16052838; NSC-678491; NCI60_028103"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678491	.	.	.	.	212.23	C14H13P	0	285	3.1	15	0	0	1	"InChI=1S/C14H13P/c1-2-6-12(7-3-1)15-13-8-4-5-9-14(15)11-10-13/h1-11,13-14H"	C1=CC=C(C=C1)P2C3C=CC=CC2C=C3	VMJOBMHRAPELBO-UHFFFAOYSA-N
DG56625	"Phosphonium, ethyldiphenyl(phenylethynyl)-, iodide"	386464	"NSC678492; CHEMBL2009748; NCI60_028104; ethyl-diphenyl-(2-phenylethynyl)phosphonium; Phosphonium, ethyldiphenyl(phenylethynyl)-, iodide; Ethyl(diphenyl)(phenylethynyl)phosphorane hydroiodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678492	.	.	.	.	315.4	C22H20P+	0	390	5.6	23	0	0	5	"InChI=1S/C22H20P/c1-2-23(21-14-8-4-9-15-21,22-16-10-5-11-17-22)19-18-20-12-6-3-7-13-20/h3-17H,2H2,1H3/q+1"	CC[P+](C#CC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3	JDPDJRDRPSEYSR-UHFFFAOYSA-N
DG56626	"4,4-Dichloro-2,3-bis(trimethylsilyl)-2-cyclobuten-1-one"	386475	"NSC678501; 4,4-Dichloro-2,3-bis(trimethylsilyl)-2-cyclobuten-1-one; 4,4-dichloro-2,3-bis(trimethylsilyl)cyclobut-2-en-1-one; SCHEMBL9234369; CHEMBL1994525; ZINC169837609; NSC-678501; NCI60_028113"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678501	.	.	.	.	281.32	C10H18Cl2OSi2	17.1	345	.	15	0	1	2	"InChI=1S/C10H18Cl2OSi2/c1-14(2,3)7-8(13)10(11,12)9(7)15(4,5)6/h1-6H3"	C[Si](C)(C)C1=C(C(C1=O)(Cl)Cl)[Si](C)(C)C	XZWMITGVWSSHQN-UHFFFAOYSA-N
DG56627	"4,4-Dichloro-2,3-diphenylcyclobut-2-en-1-one"	386476	"NSC678502; 4,4-Dichloro-2,3-diphenyl-2-cyclobuten-1-one; 4,4-dichloro-2,3-diphenylcyclobut-2-en-1-one; 2-Cyclobuten-1-one, 4,4-dichloro-2,3-diphenyl-; CHEMBL1969116; ZINC1647301; NSC-678502; NCI60_028114; 2-Cyclobuten-1-one,4-dichloro-2,3-diphenyl-; 4,4-dichloro-2,3-diphenyl-cyclobut-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678502	.	.	.	.	289.2	C16H10Cl2O	17.1	399	4.3	19	0	1	2	InChI=1S/C16H10Cl2O/c17-16(18)14(12-9-5-2-6-10-12)13(15(16)19)11-7-3-1-4-8-11/h1-10H	C1=CC=C(C=C1)C2=C(C(C2=O)(Cl)Cl)C3=CC=CC=C3	PZVIDSXGKLDCJM-UHFFFAOYSA-N
DG56628	"4,4-Dichloro-3-pentyl-2-cyclobuten-1-one"	386477	"NSC678503; 4,4-Dichloro-3-pentyl-2-cyclobuten-1-one; CHEMBL1986538; ZINC1647302; NSC-678503; 4,4-Dichloro-3-pentyl-cyclobut-2-enone; NCI60_028115; 1-Cyclobuten-3-one,4-dichloro-1-pentyl-; 4,4-dichloro-3-pentyl-cyclobut-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678503	.	.	.	.	207.09	C9H12Cl2O	17.1	219	3.4	12	0	1	4	"InChI=1S/C9H12Cl2O/c1-2-3-4-5-7-6-8(12)9(7,10)11/h6H,2-5H2,1H3"	CCCCCC1=CC(=O)C1(Cl)Cl	ZBKIZLWSUASELA-UHFFFAOYSA-N
DG56629	1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-iodouracil	386483	"1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione; 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-iodouracil; 2'-fluoro-5-iodoarauracil; DRG-0098; MFCD00866922; NSC-678514; 5-Iodo-2'-fluoroarauracil; SCHEMBL13702050; 55612-21-0; BCP14466; NSC678514; NCI60_028122; SY056160; FT-0668532; FT-0668533; 1-(2-Deoxy-2-fluoro-.beta.-D-arabinofuranosyl)-5-iodouracil; FIAU; DRG 0098; DRG0098; DRG-0098; Fluoroiodoarauridine; Benzenebutanoic acid, 3,4-dichloro-.alpha.,.gamma.-dioxo-, ethyl ester; 2,3H)-Pyrimidinedione, 1-(2-deoxy-2-fluoro-.beta.-D-arabinofuranosyl)-5-iodo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678514	.	.	.	.	372.09	C9H10FIN2O5	99.1	418	-0.9	18	3	6	2	"InChI=1S/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)"	C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)F)I	IPVFGAYTKQKGBM-UHFFFAOYSA-N
DG56630	Poly(methylmethacrylate)isotactic	386488	"CHEMBL1989193; DTXSID70965314; NSC678532; NSC-678532; POLY(METHYLMETHACRYLATE)ISOTACTIC; NCI60_028132; FT-0771985; 1-(2-Azido-2-deoxypentofuranosyl)-4-imino-1,4-dihydropyrimidin-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678532	.	.	.	.	268.23	C9H12N6O4	123	485	-1.1	19	3	6	3	"InChI=1S/C9H12N6O4/c10-5-1-2-15(9(18)12-5)8-6(13-14-11)7(17)4(3-16)19-8/h1-2,4,6-8,16-17H,3H2,(H2,10,12,18)"	C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)N=[N+]=[N-]	FEOYKPQEERVCAV-UHFFFAOYSA-N
DG56631	2'-Azido-2'-deoxyuridine	386489	2'-Azido-2'-deoxyuridine; N3dUrd; 26929-65-7; N3-dU; NSC678533; 2 -Azido-2 -deoxyuridine; CHEMBL1974001; DTXSID30949711; 106448-30-0; NSC-678533; LS-13634; NCI60_028133; FT-0686762; 1-(2-Azido-2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678533	.	.	.	.	269.21	C9H11N5O5	114	474	-0.7	19	3	7	3	"InChI=1S/C9H11N5O5/c10-13-12-6-7(17)4(3-15)19-8(6)14-2-1-5(16)11-9(14)18/h1-2,4,6-8,15,17H,3H2,(H,11,16,18)"	C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)N=[N+]=[N-]	MRUKYOQQKHNMFI-UHFFFAOYSA-N
DG56632	"Benzyl 4-((2,5-dihydroxybenzyl)amino)benzoate"	386490	"NSC678634; MLS002702935; Benzyl 4-((2,5-dihydroxybenzyl)amino)benzoate; benzyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate; CHEMBL1732556; ZINC1647310; NSC-678634; NCI60_028135; SMR001566750; Benzoic acid,5-dihydroxyphenyl)methyl]amino]-, benzyl ester; Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, benzyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678634	.	.	.	.	349.4	C21H19NO4	78.8	430	4	26	3	5	7	"InChI=1S/C21H19NO4/c23-19-10-11-20(24)17(12-19)13-22-18-8-6-16(7-9-18)21(25)26-14-15-4-2-1-3-5-15/h1-12,22-24H,13-14H2"	C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)NCC3=C(C=CC(=C3)O)O	DBMOJKQLJLJRSN-UHFFFAOYSA-N
DG56633	"Isopropyl 4-(((3,6-dioxo-1,4-cyclohexadien-1-yl)methyl)amino)benzoate"	386491	"NSC678635; SCHEMBL411958; CHEMBL1976597; Isopropyl 4-(((3,6-dioxo-1,4-cyclohexadien-1-yl)methyl)amino)benzoate; NSC-678635; NCI60_028136; Benzoic acid,6-dioxo-1,4-cyclohexadienyl)methyl]- amino]-, isopropyl ester; isopropyl 4-[(3,6-dioxocyclohexa-1,4-dien-1-yl)methylamino]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678635	.	.	.	.	299.32	C17H17NO4	72.5	511	2.2	22	1	5	6	"InChI=1S/C17H17NO4/c1-11(2)22-17(21)12-3-5-14(6-4-12)18-10-13-9-15(19)7-8-16(13)20/h3-9,11,18H,10H2,1-2H3"	CC(C)OC(=O)C1=CC=C(C=C1)NCC2=CC(=O)C=CC2=O	LHSMIYCGGUOJJK-UHFFFAOYSA-N
DG56634	"Benzyl 4-[(3,6-dioxocyclohexa-1,4-dien-1-yl)methylamino]benzoate"	386492	"NSC678636; MLS002702305; CHEMBL1705216; ZINC1647312; Benzyl 4-(((3,6-dioxo-1,4-cyclohexadien-1-yl)methyl)amino)benzoate; benzyl 4-[(3,6-dioxocyclohexa-1,4-dien-1-yl)methylamino]benzoate; NSC-678636; NCI60_028137; SMR001565867; Benzoic acid,6-dioxo-1,4-cyclohexadienyl)methyl]amino]-, benzyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678636	.	.	.	.	347.4	C21H17NO4	72.5	593	2.9	26	1	5	7	"InChI=1S/C21H17NO4/c23-19-10-11-20(24)17(12-19)13-22-18-8-6-16(7-9-18)21(25)26-14-15-4-2-1-3-5-15/h1-12,22H,13-14H2"	C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)NCC3=CC(=O)C=CC3=O	PNLOECMIUPAFEZ-UHFFFAOYSA-N
DG56635	"Tert-butyl 4-[(3,6-dioxocyclohexa-1,4-dien-1-yl)methylamino]benzoate"	386493	"NSC678637; SCHEMBL410106; CHEMBL1995450; tert-butyl 4-[(3,6-dioxocyclohexa-1,4-dien-1-yl)methylamino]benzoate; tert-Butyl 4-(((3,6-dioxo-1,4-cyclohexadien-1-yl)methyl)amino)benzoate; NSC-678637; NCI60_028138; Benzoic acid,6-dioxo-1,4-cyclohexadienyl)methyl]amino]-, tert-butyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678637	.	.	.	.	313.3	C18H19NO4	72.5	546	2.4	23	1	5	6	"InChI=1S/C18H19NO4/c1-18(2,3)23-17(22)12-4-6-14(7-5-12)19-11-13-10-15(20)8-9-16(13)21/h4-10,19H,11H2,1-3H3"	CC(C)(C)OC(=O)C1=CC=C(C=C1)NCC2=CC(=O)C=CC2=O	VUGKHKLRFNGSCU-UHFFFAOYSA-N
DG56636	"2,4-Bis(4-methoxyphenyl)-1,5,3,2,4-dioxathiadiphosphepane 2,4-disulfide"	386495	"NSC678865; 147819-28-1; 2,4-Bis(4-methoxyphenyl)-1,5,3,2,4-dioxathiadiphosphepane 2,4-disulfide; NSC 678865; CHEMBL1998066; DTXSID40933227; NSC-678865; NCI60_028142; 1,3,2,4-Dioxathiadiphosphepane, 2,4-bis(4-methoxyphenyl)-, 2,4-disulfide; 1,5,3,2,4-Dioxathiadiphosphepane, 2,4-bis(4-methoxyphenyl)-, 2, 4-disulfide; 2,4-Bis(4-methoxyphenyl)-1,5,3,2lambda~5~,4lambda~5~-dioxathiadiphosphepane-2,4-dithione; 2,4-bis(4-methoxyphenyl)-2,4-dithioxo-1,5,3,2$l^{5},4$l^{5}-dioxathiadiphosphepane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678865	.	.	.	.	432.5	C16H18O4P2S3	126	486	5.5	25	0	7	4	"InChI=1S/C16H18O4P2S3/c1-17-13-3-7-15(8-4-13)21(23)19-11-12-20-22(24,25-21)16-9-5-14(18-2)6-10-16/h3-10H,11-12H2,1-2H3"	COC1=CC=C(C=C1)P2(=S)OCCOP(=S)(S2)C3=CC=C(C=C3)OC	JPGYAYPPBVKALA-UHFFFAOYSA-N
DG56637	"6-(4-Methoxyphenyl)-6-thioxo-benzo[d][1,3,2]benzodioxaphosphepine"	386496	"NSC678866; CHEMBL1994433; 6-(4-Methoxyphenyl)dibenzo[d,f][1,3,2]dioxaphosphepine 6-sulfide; NSC-678866; NCI60_028143; 6-(4-methoxyphenyl)-6-thioxo-benzo[d][1,3,2]benzodioxaphosphepine; Dibenzo[d,3,2]dioxaphosphepin, 6-(4-methoxyphenyl)-, 6-sulfide; {Dibenzo[d,f][1,3,2]dioxaphosphepin,} 6-(4-methoxyphenyl)-, 6-sulfide; Methyl 4-(6-sulfidodibenzo[d,f][1,3,2]dioxaphosphepin-6-yl)phenyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678866	.	.	.	.	354.4	C19H15O3PS	59.8	449	6.1	24	0	4	2	"InChI=1S/C19H15O3PS/c1-20-14-10-12-15(13-11-14)23(24)21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)22-23/h2-13H,1H3"	COC1=CC=C(C=C1)P2(=S)OC3=CC=CC=C3C4=CC=CC=C4O2	ZRAPWVGPFXQJIF-UHFFFAOYSA-N
DG56638	"Dimethyl 2-methyl-7,12-dioxo-7,12-dihydrobenzo[a]anthracene-6,6(5H)-dicarboxylate"	386498	"NSC678868; CHEMBL1966631; ZINC1647320; NSC-678868; Dimethyl 2-methyl-7,12-dioxo-7,12-dihydrobenzo[a]anthracene-6,6(5H)-dicarboxylate; NCI60_028145; dimethyl 2-methyl-7,12-dioxo-5H-benzo[a]anthracene-6,6-dicarboxylate; 2-Methyl-7,12-dioxo-5,6,7,12-tetrahydrobenz[a]anthracene-6,6-dicarboxylic acid dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678868	.	.	.	.	390.4	C23H18O6	86.7	777	3.2	29	0	6	4	"InChI=1S/C23H18O6/c1-12-8-9-13-11-23(21(26)28-2,22(27)29-3)18-17(16(13)10-12)19(24)14-6-4-5-7-15(14)20(18)25/h4-10H,11H2,1-3H3"	CC1=CC2=C(CC(C3=C2C(=O)C4=CC=CC=C4C3=O)(C(=O)OC)C(=O)OC)C=C1	HTFWVGJGXBDMIG-UHFFFAOYSA-N
DG56639	"Dimethyl 2-methoxy-7,12-dioxo-7,12-dihydrobenzo[a]anthracene-6,6(5H)-dicarboxylate"	386499	"NSC678869; CHEMBL1974488; NSC-678869; Dimethyl 2-methoxy-7,12-dioxo-7,12-dihydrobenzo[a]anthracene-6,6(5H)-dicarboxylate; NCI60_028146; dimethyl 2-methoxy-7,12-dioxo-5H-benzo[a]anthracene-6,6-dicarboxylate; Benz[a]anthracene-6, 5,6,7,12- tetrahydro-2-methoxy-7,12-dioxo-, dimethyl ester; {Benz[a]anthracene-6,6-dicarboxylic} acid, 5,6,7,12- tetrahydro-2-methoxy-7,12-dioxo-, dimethyl ester; 2-Methoxy-7,12-dioxo-5,6,7,12-tetrahydrobenz[a]anthracene-6,6-dicarboxylic acid dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678869	.	.	.	.	406.4	C23H18O7	96	794	2.8	30	0	7	5	"InChI=1S/C23H18O7/c1-28-13-9-8-12-11-23(21(26)29-2,22(27)30-3)18-17(16(12)10-13)19(24)14-6-4-5-7-15(14)20(18)25/h4-10H,11H2,1-3H3"	COC1=CC2=C(CC(C3=C2C(=O)C4=CC=CC=C4C3=O)(C(=O)OC)C(=O)OC)C=C1	TUQXULFWBAPRNE-UHFFFAOYSA-N
DG56640	"3-Bromo-2-methylpyrazolo[1,5-a]pyridin-5-yl acetate"	386501	"NSC678871; 3-Bromo-2-methylpyrazolo[1,5-a]pyridin-5-yl acetate; CHEMBL1997159; NSC-678871; NCI60_028148; (3-bromo-2-methyl-pyrazolo[1,5-a]pyridin-5-yl) acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678871	.	.	.	.	269.09	C10H9BrN2O2	43.6	262	1.9	15	0	3	2	"InChI=1S/C10H9BrN2O2/c1-6-10(11)9-5-8(15-7(2)14)3-4-13(9)12-6/h3-5H,1-2H3"	CC1=NN2C=CC(=CC2=C1Br)OC(=O)C	WGVHINMJCOFEOF-UHFFFAOYSA-N
DG56641	"3,4-Dibromo-2-methylpyrazolo[1,5-a]pyridin-5-yl acetate"	386503	"NSC678873; CHEMBL1983090; 3,4-Dibromo-2-methylpyrazolo[1,5-a]pyridin-5-yl acetate; NSC-678873; NCI60_028150; (3,4-dibromo-2-methyl-pyrazolo[1,5-a]pyridin-5-yl) acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678873	.	.	.	.	347.99	C10H8Br2N2O2	43.6	290	2.6	16	0	3	2	"InChI=1S/C10H8Br2N2O2/c1-5-8(11)10-9(12)7(16-6(2)15)3-4-14(10)13-5/h3-4H,1-2H3"	CC1=NN2C=CC(=C(C2=C1Br)Br)OC(=O)C	NAKVLOJIBIYNJJ-UHFFFAOYSA-N
DG56642	2-(2-Amino-6-phenylpyrimidin-4-yl)-4-methylphenol	386504	2-(2-Amino-6-phenylpyrimidin-4-yl)-4-methylphenol; NSC678879; CHEMBL1987986; ZINC1647325; NSC-678879; NCI60_028151	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678879	.	.	.	.	277.32	C17H15N3O	72	332	3.2	21	2	4	2	"InChI=1S/C17H15N3O/c1-11-7-8-16(21)13(9-11)15-10-14(19-17(18)20-15)12-5-3-2-4-6-12/h2-10,21H,1H3,(H2,18,19,20)"	CC1=CC(=C(C=C1)O)C2=NC(=NC(=C2)C3=CC=CC=C3)N	YHQHVYBIZGDCBV-UHFFFAOYSA-N
DG56643	"Pyrimidin-2-amine, 4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-"	386505	"MLS002702306; NSC678880; CHEMBL1863817; ZINC1647326; NSC-678880; NCI60_028152; SMR001565868; Pyrimidin-2-amine, 4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678880	.	.	.	.	293.32	C17H15N3O2	81.3	349	2.8	22	2	5	3	"InChI=1S/C17H15N3O2/c1-22-12-7-8-13(16(21)9-12)15-10-14(19-17(18)20-15)11-5-3-2-4-6-11/h2-10,21H,1H3,(H2,18,19,20)"	COC1=CC(=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)N)O	GLDFNTGFJVLYJO-UHFFFAOYSA-N
DG56644	"Phenanthridine-4-carboxamide, dihydrochloride"	386509	"MLS002702307; SMR001565869; NSC678905; CHEMBL1719620; NSC-678905; Phenanthridine-4-carboxamide, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678905	.	.	.	.	435.9	C25H26ClN3O2	54.5	561	.	31	2	4	6	"InChI=1S/C25H25N3O2.ClH/c1-28(2)16-15-26-25(29)22-10-6-9-21-19-7-4-5-8-20(19)23(27-24(21)22)17-11-13-18(30-3)14-12-17;/h4-14H,15-16H2,1-3H3,(H,26,29);1H"	CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C3=CC=CC=C23)C4=CC=C(C=C4)OC.Cl	BGQDPVUXPXHTOV-UHFFFAOYSA-N
DG56645	CID 386511	386511	MLS002702308; SMR001565870; NSC678912; CHEMBL1203698; NSC-678912; SR-01000879775; SR-01000879775-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678912	.	.	.	.	359.8	C19H22ClN3O2	54.5	429	.	25	2	4	5	"InChI=1S/C19H21N3O2.ClH/c1-22(2)11-10-20-19(23)14-7-4-6-13-12-15-16(21-18(13)14)8-5-9-17(15)24-3;/h4-9,12H,10-11H2,1-3H3,(H,20,23);1H"	CN(C)CCNC(=O)C1=CC=CC2=CC3=C(C=CC=C3OC)N=C21.Cl	BSZAYAHSZXNOJI-UHFFFAOYSA-N
DG56646	CID 386513	386513	MLS002702309; SMR001565871; NSC678913; CHEMBL1699532; NSC-678913	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678913	.	.	.	.	364.3	C18H19Cl2N3O	45.2	417	.	24	2	3	4	"InChI=1S/C18H18ClN3O.ClH/c1-22(2)10-9-20-18(23)13-7-8-15(19)14-11-12-5-3-4-6-16(12)21-17(13)14;/h3-8,11H,9-10H2,1-2H3,(H,20,23);1H"	CN(C)CCNC(=O)C1=CC=C(C2=CC3=CC=CC=C3N=C12)Cl.Cl	LGAWIZSPXLDUOF-UHFFFAOYSA-N
DG56647	CID 386514	386514	MLS002702310; SMR001565872; NSC678914; CHEMBL1725136; NSC-678914; SR-01000880286; SR-01000880286-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678914	.	.	.	.	359.8	C19H22ClN3O2	54.5	429	.	25	2	4	5	"InChI=1S/C19H21N3O2.ClH/c1-22(2)11-10-20-19(23)14-8-9-17(24-3)15-12-13-6-4-5-7-16(13)21-18(14)15;/h4-9,12H,10-11H2,1-3H3,(H,20,23);1H"	CN(C)CCNC(=O)C1=CC=C(C2=CC3=CC=CC=C3N=C12)OC.Cl	RNYRKTWQCNSDBK-UHFFFAOYSA-N
DG56648	N-[6-[(2-Aminoethyl)amino]hexyl]-4-acridinecarboxamide trihydrochloride	386515	142038-90-2; NSC678915; CHEMBL542194; DTXSID70931317; NSC-678915; N-[6-[(2-Aminoethyl)amino]hexyl]-4-acridinecarboxamide trihydrochloride; N-{6-[(2-Aminoethyl)amino]hexyl}acridine-4-carboximidic acid--hydrogen chloride (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678915	.	.	.	.	400.9	C22H29ClN4O	80	444	.	28	4	4	10	"InChI=1S/C22H28N4O.ClH/c23-12-15-24-13-5-1-2-6-14-25-22(27)19-10-7-9-18-16-17-8-3-4-11-20(17)26-21(18)19;/h3-4,7-11,16,24H,1-2,5-6,12-15,23H2,(H,25,27);1H"	C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NCCCCCCNCCN.Cl	XOYGXYLTMYJYIJ-UHFFFAOYSA-N
DG56649	"1-Phenazinecarboxamide,9-dimethoxy-, monohydrochloride"	386517	"NSC678917; MLS002702311; SMR001565873; CHEMBL1731722; CCG-35823; NSC-678917; 1-Phenazinecarboxamide,9-dimethoxy-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678917	.	.	.	.	390.9	C19H23ClN4O3	76.6	476	.	27	2	6	6	"InChI=1S/C19H22N4O3.ClH/c1-23(2)11-10-20-19(24)12-6-5-7-13-16(12)22-18-15(26-4)9-8-14(25-3)17(18)21-13;/h5-9H,10-11H2,1-4H3,(H,20,24);1H"	CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C(=CC=C(C3=N2)OC)OC.Cl	GTXSOJXQRYXSCB-UHFFFAOYSA-N
DG56650	"1, N,N'-bis[2-(dimethylamino) ethyl]-, dihydrochloride"	386519	"103942-59-2; NSC678918; CHEMBL1987640; DTXSID00908673; NSC-678918; 1, N,N'-bis[2-(dimethylamino) ethyl]-, dihydrochloride; N~1~,N~6~-Bis[2-(dimethylamino)ethyl]phenazine-1,6-dicarboximidic acid--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678918	.	.	.	.	445	C22H29ClN6O2	90.5	534	.	31	3	6	8	"InChI=1S/C22H28N6O2.ClH/c1-27(2)13-11-23-21(29)15-7-5-9-17-19(15)25-18-10-6-8-16(20(18)26-17)22(30)24-12-14-28(3)4;/h5-10H,11-14H2,1-4H3,(H,23,29)(H,24,30);1H"	CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)NCCN(C)C.Cl	ZPOTWELDSISZCG-UHFFFAOYSA-N
DG56651	"1-Phenazinecarboxamide, monohydrochloride"	386521	"MLS002702313; SMR001565875; NSC678925; CHEMBL1713029; NSC-678925; 1-Phenazinecarboxamide, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678925	.	.	.	.	348.8	C17H18ClFN4O	58.1	419	.	24	2	5	4	"InChI=1S/C17H17FN4O.ClH/c1-22(2)10-9-19-17(23)11-5-3-7-13-15(11)21-16-12(18)6-4-8-14(16)20-13;/h3-8H,9-10H2,1-2H3,(H,19,23);1H"	CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C=CC=C(C3=N2)F.Cl	QVKNNMYMCVOCMI-UHFFFAOYSA-N
DG56652	"1H-Benzimidazole-4-carboxamide, hydrochloride"	386523	"NSC678932; MLS002702314; 124341-23-7; SMR001565876; CHEMBL1705375; DTXSID00327709; CCG-35789; NSC-678932; 1H-Benzimidazole-4-carboxamide, hydrochloride; SR-01000879440; SR-01000879440-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678932	.	.	.	.	345.8	C17H20ClN5O	73.9	396	.	24	3	4	5	"InChI=1S/C17H19N5O.ClH/c1-22(2)11-10-19-17(23)13-4-3-5-14-15(13)21-16(20-14)12-6-8-18-9-7-12;/h3-9H,10-11H2,1-2H3,(H,19,23)(H,20,21);1H"	CN(C)CCNC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC=NC=C3.Cl	WZKPVUJVPQLZRU-UHFFFAOYSA-N
DG56653	Methyl 1-(4-hydroxybutyl)triazole-4-carboxylate	386525	NSC678957; CHEMBL1972045; NSC-678957; NCI60_028165	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678957	.	.	.	.	199.21	C8H13N3O3	77.2	189	-0.2	14	1	5	6	"InChI=1S/C8H13N3O3/c1-14-8(13)7-6-11(10-9-7)4-2-3-5-12/h6,12H,2-5H2,1H3"	COC(=O)C1=CN(N=N1)CCCCO	OGZSCAIOEFIJMT-UHFFFAOYSA-N
DG56654	Methyl 1-(3-chloro-2-hydroxypropyl)triazole-4-carboxylate	386535	NSC678967; CHEMBL2003106; NSC-678967; NCI60_028175	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678967	.	.	.	.	219.62	C7H10ClN3O3	77.2	205	-0.2	14	1	5	5	"InChI=1S/C7H10ClN3O3/c1-14-7(13)6-4-11(10-9-6)3-5(12)2-8/h4-5,12H,2-3H2,1H3"	COC(=O)C1=CN(N=N1)CC(CCl)O	BBUPIPOMXSCXFS-UHFFFAOYSA-N
DG56655	"Ethyl 2-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxopyrimidin-1-yl]acetate"	386538	NSC678970; CHEMBL2000985; NSC-678970; NCI60_028178	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678970	.	.	.	.	286.28	C12H18N2O6	96.4	420	-0.7	20	1	6	8	"InChI=1S/C12H18N2O6/c1-3-20-10(16)7-14-11(17)9(2)6-13(12(14)18)8-19-5-4-15/h6,15H,3-5,7-8H2,1-2H3"	CCOC(=O)CN1C(=O)C(=CN(C1=O)COCCO)C	HTCZAXDWOQNSKM-UHFFFAOYSA-N
DG56656	"Diethyl 2-(2,4-dioxopyrimidin-1-yl)-3-(2-hydroxyethylsulfanyl)butanedioate"	386559	NSC678996; CHEMBL2002281; NSC-678996; NCI60_028204	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678996	.	.	.	.	360.38	C14H20N2O7S	148	523	-0.2	24	2	8	11	"InChI=1S/C14H20N2O7S/c1-3-22-12(19)10(16-6-5-9(18)15-14(16)21)11(24-8-7-17)13(20)23-4-2/h5-6,10-11,17H,3-4,7-8H2,1-2H3,(H,15,18,21)"	CCOC(=O)C(C(C(=O)OCC)SCCO)N1C=CC(=O)NC1=O	XQNVZIILBXADRV-UHFFFAOYSA-N
DG56657	"Diethyl 2-(2-hydroxyethylsulfanyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)butanedioate"	386560	NSC678997; CHEMBL1970143; NSC-678997; NCI60_028205	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678997	.	.	.	.	374.4	C15H22N2O7S	148	564	0.2	25	2	8	11	"InChI=1S/C15H22N2O7S/c1-4-23-13(20)10(11(25-7-6-18)14(21)24-5-2)17-8-9(3)12(19)16-15(17)22/h8,10-11,18H,4-7H2,1-3H3,(H,16,19,22)"	CCOC(=O)C(C(C(=O)OCC)SCCO)N1C=C(C(=O)NC1=O)C	RIIWRFCCEWJCCI-UHFFFAOYSA-N
DG56658	Diethyl 2-(6-aminopurin-9-yl)-3-(2-hydroxyethylsulfanyl)butanedioate	386561	NSC678998; CHEMBL1982024; NSC-678998; NCI60_028206	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678998	.	.	.	.	383.4	C15H21N5O5S	168	485	0.4	26	2	10	11	"InChI=1S/C15H21N5O5S/c1-3-24-14(22)10(11(26-6-5-21)15(23)25-4-2)20-8-19-9-12(16)17-7-18-13(9)20/h7-8,10-11,21H,3-6H2,1-2H3,(H2,16,17,18)"	CCOC(=O)C(C(C(=O)OCC)SCCO)N1C=NC2=C(N=CN=C21)N	VWIROSQJACUKSW-UHFFFAOYSA-N
DG56659	"2-Naphthalen-2-yl-1H-[1,8]naphthyridin-4-one"	386569	"CHEMBL298328; NSC679017; 2-Naphthalen-2-yl-1H-[1,8]naphthyridin-4-one; SCHEMBL7913593; ZINC5541468; BDBM50059980; NSC-679017; NCI60_028216; 2-(2-Naphthyl)-1,8-naphthyridin-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679017	.	.	.	.	272.3	C18H12N2O	42	445	3.7	21	1	3	1	"InChI=1S/C18H12N2O/c21-17-11-16(20-18-15(17)6-3-9-19-18)14-8-7-12-4-1-2-5-13(12)10-14/h1-11H,(H,19,20,21)"	C1=CC=C2C=C(C=CC2=C1)C3=CC(=O)C4=C(N3)N=CC=C4	SIAZQYUZGIPPRX-UHFFFAOYSA-N
DG56660	"2-(2-Naphthyl)-5-methyl-1,8-naphthyridin-4(1H)-one"	386570	"CHEMBL48330; NSC679018; SCHEMBL7913615; ZINC5504156; BDBM50059965; NSC-679018; NCI60_028217; 2-(2-Naphthyl)-5-methyl-1,8-naphthyridin-4(1H)-one; 5-Methyl-2-naphthalen-2-yl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679018	.	.	.	.	286.3	C19H14N2O	42	472	4.1	22	1	3	1	"InChI=1S/C19H14N2O/c1-12-8-9-20-19-18(12)17(22)11-16(21-19)15-7-6-13-4-2-3-5-14(13)10-15/h2-11H,1H3,(H,20,21,22)"	CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC4=CC=CC=C4C=C3	QEUHGQVYHUYTFM-UHFFFAOYSA-N
DG56661	"2-(2-Naphthyl)-6-methyl-1,8-naphthyridin-4(1H)-one"	386571	"CHEMBL50866; NSC679019; SCHEMBL7913586; ZINC5503956; BDBM50059973; NSC-679019; NCI60_028218; 2-(2-Naphthyl)-6-methyl-1,8-naphthyridin-4(1H)-one; 6-Methyl-2-naphthalen-2-yl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679019	.	.	.	.	286.3	C19H14N2O	42	472	4.1	22	1	3	1	"InChI=1S/C19H14N2O/c1-12-8-16-18(22)10-17(21-19(16)20-11-12)15-7-6-13-4-2-3-5-14(13)9-15/h2-11H,1H3,(H,20,21,22)"	CC1=CC2=C(NC(=CC2=O)C3=CC4=CC=CC=C4C=C3)N=C1	ZLYSKFYZBYRVSU-UHFFFAOYSA-N
DG56662	"2-(2-Naphthyl)-6-chloro-1,8-naphthyridin-4(1H)-one"	386574	"CHEMBL48541; NSC679022; SCHEMBL7921812; BDBM50059962; NSC-679022; NCI60_028221; 2-(2-Naphthyl)-6-chloro-1,8-naphthyridin-4(1H)-one; 6-Chloro-2-naphthalen-2-yl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679022	.	.	.	.	306.7	C18H11ClN2O	42	478	4.3	22	1	3	1	"InChI=1S/C18H11ClN2O/c19-14-8-15-17(22)9-16(21-18(15)20-10-14)13-6-5-11-3-1-2-4-12(11)7-13/h1-10H,(H,20,21,22)"	C1=CC=C2C=C(C=CC2=C1)C3=CC(=O)C4=C(N3)N=CC(=C4)Cl	LDPMRGMHKRNFMQ-UHFFFAOYSA-N
DG56663	"2-(4-Fluoro-phenyl)-5-methyl-1H-[1,8]naphthyridin-4-one"	386576	"CHEMBL48515; NSC679024; SCHEMBL7913622; ZINC5504154; 1, 2-(4-fluorophenyl)-5-methyl-; BDBM50059125; NSC-679024; NCI60_028223; 2-(4-Fluoro-phenyl)-5-methyl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679024	.	.	.	.	254.26	C15H11FN2O	42	388	2.9	19	1	4	1	"InChI=1S/C15H11FN2O/c1-9-6-7-17-15-14(9)13(19)8-12(18-15)10-2-4-11(16)5-3-10/h2-8H,1H3,(H,17,18,19)"	CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC=C(C=C3)F	NKFFANRWJXOODF-UHFFFAOYSA-N
DG56664	"2-(4-Fluoro-phenyl)-6-methyl-1H-[1,8]naphthyridin-4-one"	386577	"CHEMBL306406; NSC679025; SCHEMBL7922283; 1, 2-(4-fluorophenyl)-6-methyl-; BDBM50059095; NSC-679025; NCI60_028224; 2-(4-Fluoro-phenyl)-6-methyl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679025	.	.	.	.	254.26	C15H11FN2O	42	388	2.9	19	1	4	1	"InChI=1S/C15H11FN2O/c1-9-6-12-14(19)7-13(18-15(12)17-8-9)10-2-4-11(16)5-3-10/h2-8H,1H3,(H,17,18,19)"	CC1=CC2=C(NC(=CC2=O)C3=CC=C(C=C3)F)N=C1	FGJIRNQLEMABNS-UHFFFAOYSA-N
DG56665	"6-Chloro-2-(4-fluoro-phenyl)-1H-[1,8]naphthyridin-4-one"	386580	"CHEMBL51729; NSC679028; SCHEMBL7913599; BDBM50059106; NSC-679028; NCI60_028227; 6-Chloro-2-(4-fluoro-phenyl)-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679028	.	.	.	.	274.68	C14H8ClFN2O	42	393	3.2	19	1	4	1	"InChI=1S/C14H8ClFN2O/c15-9-5-11-13(19)6-12(18-14(11)17-7-9)8-1-3-10(16)4-2-8/h1-7H,(H,17,18,19)"	C1=CC(=CC=C1C2=CC(=O)C3=C(N2)N=CC(=C3)Cl)F	UHXBIVBUQZJQAF-UHFFFAOYSA-N
DG56666	"2-(4-Chloro-phenyl)-1H-[1,8]naphthyridin-4-one"	386581	"CHEMBL73273; NSC679029; SCHEMBL7925170; ZINC5541488; BDBM50059108; NSC-679029; NCI60_028228; 2-(4-Chloro-phenyl)-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679029	.	.	.	.	256.68	C14H9ClN2O	42	361	3.1	18	1	3	1	"InChI=1S/C14H9ClN2O/c15-10-5-3-9(4-6-10)12-8-13(18)11-2-1-7-16-14(11)17-12/h1-8H,(H,16,17,18)"	C1=CC2=C(NC(=CC2=O)C3=CC=C(C=C3)Cl)N=C1	WCUARJVKIMLOAO-UHFFFAOYSA-N
DG56667	"5-Methyl-2-(4-chlorophenyl)-1,8-naphthyridine-4(1H)-one"	386582	"CHEMBL52501; NSC679030; SCHEMBL7920478; ZINC5504153; BDBM50059115; NSC-679030; NCI60_028229; 2-(4-Chloro-phenyl)-5-methyl-1H-[1,8]naphthyridin-4-one; 5-Methyl-2-(4-chlorophenyl)-1,8-naphthyridine-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679030	.	.	.	.	270.71	C15H11ClN2O	42	388	3.4	19	1	3	1	"InChI=1S/C15H11ClN2O/c1-9-6-7-17-15-14(9)13(19)8-12(18-15)10-2-4-11(16)5-3-10/h2-8H,1H3,(H,17,18,19)"	CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC=C(C=C3)Cl	CDDBFXDYCBYDPU-UHFFFAOYSA-N
DG56668	"2-(3-Chloro-phenyl)-1H-[1,8]naphthyridin-4-one"	386586	"CHEMBL45677; NSC679034; 1, 2-(3-chlorophenyl)-; 2-(3-Chloro-phenyl)-1H-[1,8]naphthyridin-4-one; SCHEMBL7920166; ZINC5541496; BDBM50059959; NSC-679034; NCI60_028233; 2-(3-Chlorophenyl)-1,8-naphthyridin-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679034	.	.	.	.	256.68	C14H9ClN2O	42	369	3.1	18	1	3	1	"InChI=1S/C14H9ClN2O/c15-10-4-1-3-9(7-10)12-8-13(18)11-5-2-6-16-14(11)17-12/h1-8H,(H,16,17,18)"	C1=CC(=CC(=C1)Cl)C2=CC(=O)C3=C(N2)N=CC=C3	HZSAAZXBYZMFJN-UHFFFAOYSA-N
DG56669	"2-(3-Chlorophenyl)-5-methyl-1,8-naphthyridin-4(1H)-one"	386587	"CHEMBL105469; NSC679035; SCHEMBL7920058; ZINC5504157; 1, 2-(3-chlorophenyl)-5-methyl-; BDBM50471351; NSC-679035; NCI60_028234; 2-(3-Chlorophenyl)-5-methyl-1,8-naphthyridin-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679035	.	.	.	.	270.71	C15H11ClN2O	42	396	3.4	19	1	3	1	"InChI=1S/C15H11ClN2O/c1-9-5-6-17-15-14(9)13(19)8-12(18-15)10-3-2-4-11(16)7-10/h2-8H,1H3,(H,17,18,19)"	CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC(=CC=C3)Cl	ZBQNAMZDRCCHEF-UHFFFAOYSA-N
DG56670	"2-(3-chlorophenyl)-6-methyl-1,8-naphthyridin-4(1H)-one"	386588	"NSC-679036; CHEMBL49827; 2-(3-chlorophenyl)-6-methyl-1,8-naphthyridin-4(1H)-one; NSC679036; SCHEMBL7925200; ZINC5503957; 1, 2-(3-chlorophenyl)-6-methyl-; BDBM50059961; NCI60_028235; 2-(3-Chloro-phenyl)-6-methyl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679036	.	.	.	.	270.71	C15H11ClN2O	42	396	3.4	19	1	3	1	"InChI=1S/C15H11ClN2O/c1-9-5-12-14(19)7-13(18-15(12)17-8-9)10-3-2-4-11(16)6-10/h2-8H,1H3,(H,17,18,19)"	CC1=CC2=C(NC(=CC2=O)C3=CC(=CC=C3)Cl)N=C1	FSWIIQLXZOJBSF-UHFFFAOYSA-N
DG56671	"3-(1H-benzimidazol-2-ylmethyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide"	386591	"NSC679042; SCHEMBL708238; CHEMBL1966855; ZINC73313978; 3-(1H-benzimidazol-2-ylmethyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide; NSC-679042; 2-((2,2,4,4-Tetraoxido-1,5,2,4-dioxadithiepan-3-yl)methyl)-1H-benzimidazole; NCI60_028238"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679042	.	.	.	.	332.4	C11H12N2O6S2	132	543	0.6	21	1	7	2	"InChI=1S/C11H12N2O6S2/c14-20(15)11(21(16,17)19-6-5-18-20)7-10-12-8-3-1-2-4-9(8)13-10/h1-4,11H,5-7H2,(H,12,13)"	C1COS(=O)(=O)C(S(=O)(=O)O1)CC2=NC3=CC=CC=C3N2	KRVRADXBNMEUPR-UHFFFAOYSA-N
DG56672	"(3-Iodo-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl)-naphthalen-2-ylmethanone"	386596	NSC679046; CHEMBL1988752; NSC-679046; NCI60_028242	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679046	.	.	.	.	482.3	C14H11IO7S2	121	668	2.2	24	0	7	2	"InChI=1S/C14H11IO7S2/c15-14(23(17,18)21-7-8-22-24(14,19)20)13(16)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2"	C1COS(=O)(=O)C(S(=O)(=O)O1)(C(=O)C2=CC3=CC=CC=C3C=C2)I	OQUMDXSOHGYTJP-UHFFFAOYSA-N
DG56673	"Naphthalen-1-yl-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl)methanone"	386597	NSC679047; SCHEMBL708973; CHEMBL1996498; NSC-679047; NCI60_028243	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679047	.	.	.	.	356.4	C14H12O7S2	121	620	1.6	23	0	7	2	"InChI=1S/C14H12O7S2/c15-13(12-7-3-5-10-4-1-2-6-11(10)12)14-22(16,17)20-8-9-21-23(14,18)19/h1-7,14H,8-9H2"	C1COS(=O)(=O)C(S(=O)(=O)O1)C(=O)C2=CC=CC3=CC=CC=C32	GVBOTAJHEWWOEP-UHFFFAOYSA-N
DG56674	"(3-Bromo-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl)-naphthalen-1-ylmethanone"	386598	NSC679048; CHEMBL1976056; NSC-679048; NCI60_028244	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679048	.	.	.	.	435.3	C14H11BrO7S2	121	668	2.3	24	0	7	2	"InChI=1S/C14H11BrO7S2/c15-14(23(17,18)21-8-9-22-24(14,19)20)13(16)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2"	C1COS(=O)(=O)C(S(=O)(=O)O1)(C(=O)C2=CC=CC3=CC=CC=C32)Br	PGWMBGZDWCOARO-UHFFFAOYSA-N
DG56675	"1-Benzyl-4-(4-methyl-1-piperazinyl)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol"	386615	"NSC679069; CHEMBL1985558; ZINC16958842; NSC-679069; 1-Benzyl-4-(4-methyl-1-piperazinyl)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol; NCI60_028260; 3-benzyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyridazin-4-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679069	.	.	.	.	325.37	C16H19N7O	78.6	497	0.5	24	1	5	3	"InChI=1S/C16H19N7O/c1-21-7-9-22(10-8-21)15-13-14(16(24)19-18-15)23(20-17-13)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,19,24)"	CN1CCN(CC1)C2=NNC(=O)C3=C2N=NN3CC4=CC=CC=C4	VVYXEMNOMZHNFS-UHFFFAOYSA-N
DG56676	1-phenylethyl N-[(4-phenyltriazol-1-yl)methyl]carbamate	386634	"NSC679088; 1-phenylethyl N-[(4-phenyltriazol-1-yl)methyl]carbamate; CHEMBL2006959; NSC-679088; NCI60_028279; Carbamic acid, [(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]-, 1-phenylethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679088	.	.	.	.	322.4	C18H18N4O2	69	395	3	24	1	4	6	"InChI=1S/C18H18N4O2/c1-14(15-8-4-2-5-9-15)24-18(23)19-13-22-12-17(20-21-22)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H,19,23)"	CC(C1=CC=CC=C1)OC(=O)NCN2C=C(N=N2)C3=CC=CC=C3	GGQNLONNVHMOBA-UHFFFAOYSA-N
DG56677	"1,3,5-Tris(azidomethyl)-2,4,6-trimethylbenzene"	386646	"NSC679103; 1,3,5-tris(azidomethyl)-2,4,6-trimethylbenzene; CHEMBL1987057; NSC-679103; NCI60_028291; 1,3,5-Trimethyl-2,4,6-tris(azidomethyl)benzene; 1,3,5-tris(azidomethyl)-2,4,6-trimethyl-benzene; 1-(2,4,6-Trimethyl-3,5-bis(2.lambda.~5~-1,2-triazadienylmethyl)benzyl)-2.lambda.~5~-1,2-triazadiene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679103	.	.	.	.	285.31	C12H15N9	43.1	396	5.6	21	0	6	6	"InChI=1S/C12H15N9/c1-7-10(4-16-19-13)8(2)12(6-18-21-15)9(3)11(7)5-17-20-14/h4-6H2,1-3H3"	CC1=C(C(=C(C(=C1CN=[N+]=[N-])C)CN=[N+]=[N-])C)CN=[N+]=[N-]	SUKCSQNSCGTSOU-UHFFFAOYSA-N
DG56678	4-[5-[3-(4-Hydroxyphenyl)isoxazol-5-yl]isoxazol-3-yl]phenol	386651	"NSC679108; CHEMBL1966747; NSC-679108; NCI60_028296; Phenol,4'-(5,5'-biisoxazole-3,3'-diyl)bis-; Phenol, 4,4'-[5,5'-biisoxazole]-3,3'-diylbis-; 4-[5-[3-(4-hydroxyphenyl)isoxazol-5-yl]isoxazol-3-yl]phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679108	.	.	.	.	320.3	C18H12N2O4	92.5	370	3.1	24	2	6	3	"InChI=1S/C18H12N2O4/c21-13-5-1-11(2-6-13)15-9-17(23-19-15)18-10-16(20-24-18)12-3-7-14(22)8-4-12/h1-10,21-22H"	C1=CC(=CC=C1C2=NOC(=C2)C3=CC(=NO3)C4=CC=C(C=C4)O)O	FENPYQKUQYDICF-UHFFFAOYSA-N
DG56679	"10-Benzyl-3-(4-methoxyphenyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one"	386675	"NSC679202; CHEMBL1996564; 10-benzyl-3-(4-methoxyphenyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one; NSC-679202; 10-Benzyl-3-(4-methoxyphenyl)[1,2,4]triazino[4,3-a]benzimidazol-4(10H)-one; NCI60_028321"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679202	.	.	.	.	382.4	C23H18N4O2	57.5	676	3.8	29	0	4	4	"InChI=1S/C23H18N4O2/c1-29-18-13-11-17(12-14-18)21-22(28)27-20-10-6-5-9-19(20)26(23(27)25-24-21)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3"	COC1=CC=C(C=C1)C2=NN=C3N(C4=CC=CC=C4N3C2=O)CC5=CC=CC=C5	FFTAEJYFPTXWNS-UHFFFAOYSA-N
DG56680	"10-Benzyl-3-(4-chlorophenyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one"	386676	"NSC679203; CHEMBL1966220; 10-benzyl-3-(4-chlorophenyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one; 10-Benzyl-3-(4-chlorophenyl)[1,2,4]triazino[4,3-a]benzimidazol-4(10H)-one; NSC-679203; NCI60_028322"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679203	.	.	.	.	386.8	C22H15ClN4O	48.3	663	4.5	28	0	3	3	"InChI=1S/C22H15ClN4O/c23-17-12-10-16(11-13-17)20-21(28)27-19-9-5-4-8-18(19)26(22(27)25-24-20)14-15-6-2-1-3-7-15/h1-13H,14H2"	C1=CC=C(C=C1)CN2C3=CC=CC=C3N4C2=NN=C(C4=O)C5=CC=C(C=C5)Cl	JBEODJZFKWDKRZ-UHFFFAOYSA-N
DG56681	"4-imino-3-methyl-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-2-one"	386693	"NSC679223; CHEMBL1977206; NSC-679223; NCI60_028342; 4-Imino-3-methyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2(1H)-one; 4-imino-3-methyl-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679223	.	.	.	.	235.31	C11H13N3OS	84	476	0.8	16	1	3	0	"InChI=1S/C11H13N3OS/c1-14-9(12)8-6-4-2-3-5-7(6)16-10(8)13-11(14)15/h2-5,12H2,1H3"	CN1C(=C2C3=C(CCCC3)SC2=NC1=O)N	FCYSJAMFZDTCSI-UHFFFAOYSA-N
DG56682	"2,3,8,9,10,11-Hexahydro[1]benzothieno[3,2-e]imidazo[1,2-c]pyrimidine"	386695	"NSC679225; CHEMBL1972553; BDBM234353; 2,3,8,9,10,11-Hexahydro[1]benzothieno[3,2-e]imidazo[1,2-c]pyrimidine; NSC-679225; NCI60_028344; 2,3,8,9,10,11-Hexahydro-benzothieno[3,2-e]imidazo[1,2-c]pyrimidine (11)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679225	.	.	.	.	231.32	C12H13N3S	56.2	365	1.8	16	0	3	0	"InChI=1S/C12H13N3S/c1-2-4-9-8(3-1)10-11-13-5-6-15(11)7-14-12(10)16-9/h7H,1-6H2"	C1CCC2=C(C1)C3=C(S2)N=CN4C3=NCC4	IAMFUBHYGGVHLJ-UHFFFAOYSA-N
DG56683	"Ethyl 3-(9-chloro-4-hydroxy-2,5,11-trimethyl-6H-pyrido[3,2-b]carbazol-3-yl)propanoate"	386719	"NSC679261; CHEMBL1982261; NSC-679261; Ethyl 3-(9-chloro-4-hydroxy-2,5,11-trimethyl-6H-pyrido[3,2-b]carbazol-3-yl)propanoate; NCI60_028370; 2,5,11-Trimethyl-4-hydroxy-9-chloro-6H-pyrido[3,2-b]carbazole-3-propionic acid ethyl ester; 9-Chloro-2,5,11-trimethyl-4-oxo-1,4-dihydro-6H-pyrido[3,2-b]carbazole-3-propionic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679261	.	.	.	.	410.9	C23H23ClN2O3	71.2	708	5.2	29	2	4	5	"InChI=1S/C23H23ClN2O3/c1-5-29-18(27)9-7-15-13(4)25-22-11(2)19-16-10-14(24)6-8-17(16)26-21(19)12(3)20(22)23(15)28/h6,8,10,26H,5,7,9H2,1-4H3,(H,25,28)"	CCOC(=O)CCC1=C(NC2=C(C1=O)C(=C3C(=C2C)C4=C(N3)C=CC(=C4)Cl)C)C	KGDYUZVBRFHQHP-UHFFFAOYSA-N
DG56684	"2-[4-(2-Diethylaminoethyloxy)phenyl]-5-nitro-benzo[de]isoquinoline-1,3-dione"	386720	"NSC679263; N-[4-(2-N,8-naphthalimide; CHEMBL1970592; NSC-679263; NCI60_028372; 2-[4-(2-diethylaminoethyloxy)phenyl]-5-nitro-benzo[de]isoquinoline-1,3-dione; 2-(4-(2-(Diethylamino)ethoxy)phenyl)-5-(hydroxy(oxido)amino)-1H-benzo[de]isoquinoline-1,3(2H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679263	.	.	.	.	433.5	C24H23N3O5	95.7	698	4.3	32	0	6	7	"InChI=1S/C24H23N3O5/c1-3-25(4-2)12-13-32-19-10-8-17(9-11-19)26-23(28)20-7-5-6-16-14-18(27(30)31)15-21(22(16)20)24(26)29/h5-11,14-15H,3-4,12-13H2,1-2H3"	CCN(CC)CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]	AOVDCRLGQWABSP-UHFFFAOYSA-N
DG56685	"5-Nitro-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzo[de]isoquinoline-1,3-dione"	386721	"NSC679264; CHEMBL1967716; ZINC1647518; 5-nitro-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzo[de]isoquinoline-1,3-dione; NSC-679264; NCI60_028373; N-[4-(2-Pyrrolidinoethoxy)phenyl]-3-nitro-1,8-naphthalimide; 5-(Hydroxy(oxido)amino)-2-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679264	.	.	.	.	431.4	C24H21N3O5	95.7	726	4	32	0	6	5	"InChI=1S/C24H21N3O5/c28-23-20-5-3-4-16-14-18(27(30)31)15-21(22(16)20)24(29)26(23)17-6-8-19(9-7-17)32-13-12-25-10-1-2-11-25/h3-9,14-15H,1-2,10-13H2"	C1CCN(C1)CCOC2=CC=C(C=C2)N3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-]	VIYLUPSCDWSERJ-UHFFFAOYSA-N
DG56686	"N-[2,8-naphthalimide"	386722	"NSC679265; N-[2,8-naphthalimide; CHEMBL1997694; ZINC8398338; AKOS000592314; MCULE-2049617963; NSC-679265; NCI60_028374; AG-690/11215653; SR-01000317522; SR-01000317522-1; 2-(2,4-dinitroanilino)-5-nitro-benzo[de]isoquinoline-1,3-dione; 2-({2,4-bisnitrophenyl}amino)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione; 2-(2,4-Bis(hydroxy(oxido)amino)anilino)-5-(hydroxy(oxido)amino)-1H-benzo[de]isoquinoline-1,3(2H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679265	.	.	.	.	423.3	C18H9N5O8	187	804	4.1	31	1	9	2	"InChI=1S/C18H9N5O8/c24-17-12-3-1-2-9-6-11(22(28)29)7-13(16(9)12)18(25)20(17)19-14-5-4-10(21(26)27)8-15(14)23(30)31/h1-8,19H"	C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	SUXVUHFSCDKTPS-UHFFFAOYSA-N
DG56687	"2-[4-(3-Ethyl-2,6-dioxo-3-piperidyl)phenyl]-5-nitro-benzo[de]isoquinoline-1,3-dione"	386723	"NSC679266; CHEMBL1975095; N-[4-Ethyl-2,8-naphthalimide; NSC-679266; NCI60_028375; 2-[4-(3-ethyl-2,6-dioxo-3-piperidyl)phenyl]-5-nitro-benzo[de]isoquinoline-1,3-dione; 2-(4-(3-Ethyl-2,6-dioxo-3-piperidinyl)phenyl)-5-(hydroxy(oxido)amino)-1H-benzo[de]isoquinoline-1,3(2H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679266	.	.	.	.	457.4	C25H19N3O6	129	907	3.3	34	1	6	3	"InChI=1S/C25H19N3O6/c1-2-25(11-10-20(29)26-24(25)32)15-6-8-16(9-7-15)27-22(30)18-5-3-4-14-12-17(28(33)34)13-19(21(14)18)23(27)31/h3-9,12-13H,2,10-11H2,1H3,(H,26,29,32)"	CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-]	ZYEWDZIBJWUOAY-UHFFFAOYSA-N
DG56688	3-Chloropropyl 2-diazoacetate	386738	NSC679281; 3-chloropropyl 2-diazoacetate; CHEMBL2004819; NSC-679281; NCI60_028386; 3-Chloropropyl 1.lambda.~5~-diazenylideneacetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679281	.	.	.	.	162.57	C5H7ClN2O2	28.3	154	1.3	10	0	3	5	"InChI=1S/C5H7ClN2O2/c6-2-1-3-10-5(9)4-8-7/h4H,1-3H2"	C(COC(=O)C=[N+]=[N-])CCl	LYGXRSBUUOMZSH-UHFFFAOYSA-N
DG56689	Indan-2-yl 2-diazoacetate	386746	"NSC679285; indan-2-yl 2-diazoacetate; CHEMBL1991205; NSC-679285; NCI60_028390; 2,3-Dihydro-1H-inden-2-yl 1.lambda.~5~-diazenylideneacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679285	.	.	.	.	202.21	C11H10N2O2	28.3	283	2.4	15	0	3	3	"InChI=1S/C11H10N2O2/c12-13-7-11(14)15-10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10H,5-6H2"	C1C(CC2=CC=CC=C21)OC(=O)C=[N+]=[N-]	UVBIEVTXDKWALN-UHFFFAOYSA-N
DG56690	2-Ethoxy-6-keto-estradiol	386752	"CHEMBL1627880; NSC679431; 2-Ethoxy-6-keto-estradiol; SCHEMBL6744823; ZINC5541811; BDBM50369281; NSC-679431; NCI60_028394; 2-Ethoxy-6-Oxoestra-1,3,5(10)-Triene-3,17beta-Diol; 2-Ethoxy-3,17beta-dihydroxy-1,3,5(10)-estratrien-6-one; 3,17beta-Dihydroxy-2-ethoxyestra-1,3,5(10)-trien-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679431	.	.	.	.	330.4	C20H26O4	66.8	506	3.1	24	2	4	2	"InChI=1S/C20H26O4/c1-3-24-18-10-12-11-6-7-20(2)15(4-5-19(20)23)13(11)8-16(21)14(12)9-17(18)22/h9-11,13,15,19,22-23H,3-8H2,1-2H3/t11-,13-,15+,19+,20+/m1/s1"	CCOC1=C(C=C2C(=O)C[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4O)C)O	CBJHVMQFLMDNFG-XRTCRYGSSA-N
DG56691	"[1-(Benzenesulfonyloxy)-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate"	386755	"NSC679434; CHEMBL2000629; NSC-679434; [1-(benzenesulfonyloxy)-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate; NCI60_028396; 4-Methyl-1-((phenylsulfonyl)oxy)estra-1,3,5(10)-trien-17-yl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679434	.	.	.	.	468.6	C27H32O5S	78	828	6.3	33	0	5	5	"InChI=1S/C27H32O5S/c1-17-9-13-24(32-33(29,30)19-7-5-4-6-8-19)26-20(17)10-11-21-22(26)15-16-27(3)23(21)12-14-25(27)31-18(2)28/h4-9,13,21-23,25H,10-12,14-16H2,1-3H3"	CC1=C2CCC3C(C2=C(C=C1)OS(=O)(=O)C4=CC=CC=C4)CCC5(C3CCC5OC(=O)C)C	UJPIXJNFAQABFH-UHFFFAOYSA-N
DG56692	2-Amino-3-[[4-[4-[[4-[4-(3-azidophenothiazin-10-yl)butyl]piperazin-1-yl]methyl]benzoyl]phenyl]methylsulfanyl]propanoic acid	386760	"NSC679439; CHEMBL1994158; NSC-679439; 2-amino-3-[[4-[4-[[4-[4-(3-azidophenothiazin-10-yl)butyl]piperazin-1-yl]methyl]benzoyl]phenyl]methylsulfanyl]propanoic acid; NCI60_028399; S-(4-(4-((4-(4-(3-(2.Lambda.~5~-1,2-Triazadienyl)-10H-phenothiazin-10-yl)butyl)-1-piperazinyl)methyl)benzoyl)benzyl)cysteine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679439	.	.	.	.	707.9	C38H41N7O3S2	155	1140	4.9	50	2	11	15	"InChI=1S/C38H41N7O3S2/c39-32(38(47)48)26-49-25-28-9-13-30(14-10-28)37(46)29-11-7-27(8-12-29)24-44-21-19-43(20-22-44)17-3-4-18-45-33-5-1-2-6-35(33)50-36-23-31(41-42-40)15-16-34(36)45/h1-2,5-16,23,32H,3-4,17-22,24-26,39H2,(H,47,48)"	C1CN(CCN1CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42)CC5=CC=C(C=C5)C(=O)C6=CC=C(C=C6)CSCC(C(=O)O)N	YUBQXCPUKVAUCZ-UHFFFAOYSA-N
DG56693	"Diethyl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate"	386761	"diethyl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate; NSC679440; 79988-76-4; 1,3-diethyl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate; Oprea1_338791; Oprea1_746870; MLS000529209; SCHEMBL5856662; CHEMBL1425681; HMS2332N16; STK386789; AKOS000653217; AKOS021985414; MCULE-6985088410; NSC-679440; UPCMLD0ENAT5766159:001; NCI60_028400; SMR000121684; AB00086595-01; SR-01000403330; SR-01000403330-1; Z57282785; F1284-0441; Diethyl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate; diethyl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate; 4-Hydroxy-2-(4-methoxy-phenyl)-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylic acid diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679440	.	.	.	.	378.4	C20H26O7	99.1	553	2.2	27	1	7	8	"InChI=1S/C20H26O7/c1-5-26-18(22)16-14(21)11-20(3,24)17(19(23)27-6-2)15(16)12-7-9-13(25-4)10-8-12/h7-10,15-17,24H,5-6,11H2,1-4H3"	CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)OC	OYIOCGPIKHIYRT-UHFFFAOYSA-N
DG56694	"Diethyl 4-hydroxy-2-(4-methoxyphenyl)-6-oxo-4-phenyl-1,3-cyclohexanedicarboxylate"	386764	"NSC679443; CHEMBL1997832; NSC-679443; Diethyl 4-hydroxy-2-(4-methoxyphenyl)-6-oxo-4-phenyl-1,3-cyclohexanedicarboxylate; NCI60_028403; diethyl 4-hydroxy-2-(4-methoxyphenyl)-6-oxo-4-phenyl-cyclohexane-1,3-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679443	.	.	.	.	440.5	C25H28O7	99.1	663	3.3	32	1	7	9	"InChI=1S/C25H28O7/c1-4-31-23(27)21-19(26)15-25(29,17-9-7-6-8-10-17)22(24(28)32-5-2)20(21)16-11-13-18(30-3)14-12-16/h6-14,20-22,29H,4-5,15H2,1-3H3"	CCOC(=O)C1C(C(C(CC1=O)(C2=CC=CC=C2)O)C(=O)OCC)C3=CC=C(C=C3)OC	HGAINBGRJFALTP-UHFFFAOYSA-N
DG56695	"Diethyl 2-(4-(dimethylamino)phenyl)-4-hydroxy-6-oxo-4-phenyl-1,3-cyclohexanedicarboxylate"	386767	"NSC679446; CHEMBL2003868; NSC-679446; Diethyl 2-(4-(dimethylamino)phenyl)-4-hydroxy-6-oxo-4-phenyl-1,3-cyclohexanedicarboxylate; NCI60_028406; diethyl 2-(4-dimethylaminophenyl)-4-hydroxy-6-oxo-4-phenyl-cyclohexane-1,3-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679446	.	.	.	.	453.5	C26H31NO6	93.1	695	3.5	33	1	7	9	"InChI=1S/C26H31NO6/c1-5-32-24(29)22-20(28)16-26(31,18-10-8-7-9-11-18)23(25(30)33-6-2)21(22)17-12-14-19(15-13-17)27(3)4/h7-15,21-23,31H,5-6,16H2,1-4H3"	CCOC(=O)C1C(C(C(CC1=O)(C2=CC=CC=C2)O)C(=O)OCC)C3=CC=C(C=C3)N(C)C	VFUJCGSMUUQBOA-UHFFFAOYSA-N
DG56696	"5-Allyl-3,3a,4,6-tetrahydropyrrolo[3,4-c]pyrazole-6a-carbonitrile"	386772	"NSC679450; CHEMBL2009680; NCI60_028410; 5-allyl-3,3a,4,6-tetrahydropyrrolo[3,4-c]pyrazole-6a-carbonitrile; 5-Allyl-3a,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-6a(3H)-carbonitrile hydrobromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679450	.	.	.	.	176.22	C9H12N4	51.8	300	0.5	13	0	4	2	"InChI=1S/C9H12N4/c1-2-3-13-5-8-4-11-12-9(8,6-10)7-13/h2,8H,1,3-5,7H2"	C=CCN1CC2CN=NC2(C1)C#N	QFEBIOGXODKQAX-UHFFFAOYSA-N
DG56697	"5-(3-Oxobutyl)-3,3a,4,6-tetrahydropyrrolo[3,4-c]pyrazole-6a-carbonitrile"	386773	"NSC679451; CHEMBL1976361; 5-(3-oxobutyl)-3,3a,4,6-tetrahydropyrrolo[3,4-c]pyrazole-6a-carbonitrile; NSC-679451; NCI60_028411; 1-Cyano-7-[3-oxo-butyl]-2,7-triazabicyclo[3.3.0]oct-2-ene; 5-(3-Oxobutyl)-3a,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-6a(3H)-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679451	.	.	.	.	206.24	C10H14N4O	68.8	356	-0.4	15	0	5	3	"InChI=1S/C10H14N4O/c1-8(15)2-3-14-5-9-4-12-13-10(9,6-11)7-14/h9H,2-5,7H2,1H3"	CC(=O)CCN1CC2CN=NC2(C1)C#N	YZYMXILMEJGAOY-UHFFFAOYSA-N
DG56698	"(3-(4-Methylphenyl)-1H-1,2,4-triazol-5-yl)acetonitrile"	386777	"NSC679485; CHEMBL1977951; (3-(4-Methylphenyl)-1H-1,2,4-triazol-5-yl)acetonitrile; ZINC1647542; AKOS013586590; NSC-679485; NCI60_028415; 2-[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679485	.	.	.	.	198.22	C11H10N4	65.4	249	1.7	15	1	3	2	"InChI=1S/C11H10N4/c1-8-2-4-9(5-3-8)11-13-10(6-7-12)14-15-11/h2-5H,6H2,1H3,(H,13,14,15)"	CC1=CC=C(C=C1)C2=NNC(=N2)CC#N	WKBJGNCUYXEFMP-UHFFFAOYSA-N
DG56699	3-[4-[(E)-(4-ethoxyphenyl)azo]-3-methyl-5-oxo-4H-pyrazol-1-yl]-3-oxo-N-phenyl-propanamide	386792	"NSC679500; CHEMBL2005192; NSC-679500; NCI60_028430; 3-(4-((4-Ethoxyphenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-3-oxo-N-phenylpropanamide; 3-[4-[(E)-(4-ethoxyphenyl)azo]-3-methyl-5-oxo-4H-pyrazol-1-yl]-3-oxo-N-phenyl-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679500	.	.	.	.	407.4	C21H21N5O4	113	694	3.4	30	1	7	7	"InChI=1S/C21H21N5O4/c1-3-30-17-11-9-16(10-12-17)23-24-20-14(2)25-26(21(20)29)19(28)13-18(27)22-15-7-5-4-6-8-15/h4-12,20H,3,13H2,1-2H3,(H,22,27)"	CCOC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=CC=C3)C	SYHABPMUAFSJJO-UHFFFAOYSA-N
DG56700	3-[4-[(E)-(4-ethoxyphenyl)azo]-3-methyl-5-oxo-4H-pyrazol-1-yl]-3-oxo-N-(p-tolyl)propanamide	386793	"NSC679501; CHEMBL2006096; NSC-679501; NCI60_028431; 3-(4-((4-Ethoxyphenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide; 3-[4-[(E)-(4-ethoxyphenyl)azo]-3-methyl-5-oxo-4H-pyrazol-1-yl]-3-oxo-N-(p-tolyl)propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679501	.	.	.	.	421.4	C22H23N5O4	113	721	3.8	31	1	7	7	"InChI=1S/C22H23N5O4/c1-4-31-18-11-9-17(10-12-18)24-25-21-15(3)26-27(22(21)30)20(29)13-19(28)23-16-7-5-14(2)6-8-16/h5-12,21H,4,13H2,1-3H3,(H,23,28)"	CCOC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=C(C=C3)C)C	SPNIVWLVNYTIJT-UHFFFAOYSA-N
DG56701	3-[4-[(E)-(2-ethoxyphenyl)azo]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(o-tolyl)-3-oxo-propanamide	386796	"NSC679504; CHEMBL1970698; NSC-679504; NCI60_028434; 1H-Pyrazole-1-propanamide, 4-[(E)-(2-ethoxyphenyl)azo]-4,5-dihydro-3-methyl-N-(2-methylphenyl)-beta,5-dioxo-; 3-[4-[(E)-(2-ethoxyphenyl)azo]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(o-tolyl)-3-oxo-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679504	.	.	.	.	421.4	C22H23N5O4	113	737	3.8	31	1	7	7	"InChI=1S/C22H23N5O4/c1-4-31-18-12-8-7-11-17(18)24-25-21-15(3)26-27(22(21)30)20(29)13-19(28)23-16-10-6-5-9-14(16)2/h5-12,21H,4,13H2,1-3H3,(H,23,28)"	CCOC1=CC=CC=C1N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=CC=C3C)C	BQJLMWGWNBUCGP-UHFFFAOYSA-N
DG56702	3-[4-[(E)-(2-ethoxyphenyl)azo]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(2-methoxyphenyl)-3-oxo-propanamide	386797	"NSC679505; CHEMBL1972856; NSC-679505; NCI60_028435; 3-(4-((2-Ethoxyphenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide; 3-[4-[(E)-(2-ethoxyphenyl)azo]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(2-methoxyphenyl)-3-oxo-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679505	.	.	.	.	437.4	C22H23N5O5	122	755	3.4	32	1	8	8	"InChI=1S/C22H23N5O5/c1-4-32-18-12-8-6-10-16(18)24-25-21-14(2)26-27(22(21)30)20(29)13-19(28)23-15-9-5-7-11-17(15)31-3/h5-12,21H,4,13H2,1-3H3,(H,23,28)"	CCOC1=CC=CC=C1N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=CC=C3OC)C	PGASFVQPYDAJNM-UHFFFAOYSA-N
DG56703	N-(2-chlorophenyl)-3-[4-[(E)-(2-ethoxyphenyl)azo]-3-methyl-5-oxo-4H-pyrazol-1-yl]-3-oxo-propanamide	386798	"NSC679506; CHEMBL1985183; NSC-679506; NCI60_028436; N-(2-Chlorophenyl)-3-(4-((2-ethoxyphenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-3-oxopropanamide; N-(2-chlorophenyl)-3-[4-[(E)-(2-ethoxyphenyl)azo]-3-methyl-5-oxo-4H-pyrazol-1-yl]-3-oxo-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679506	.	.	.	.	441.9	C21H20ClN5O4	113	743	4.1	31	1	7	7	"InChI=1S/C21H20ClN5O4/c1-3-31-17-11-7-6-10-16(17)24-25-20-13(2)26-27(21(20)30)19(29)12-18(28)23-15-9-5-4-8-14(15)22/h4-11,20H,3,12H2,1-2H3,(H,23,28)"	CCOC1=CC=CC=C1N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=CC=C3Cl)C	OOHFEHOTRHKUTO-UHFFFAOYSA-N
DG56704	"N-(4-Chlorophenyl)-3-(4-((3,4-dimethylphenyl)diazenyl)-3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropanamide"	386801	"NSC679509; CHEMBL2003116; NSC-679509; NCI60_028439; N-(4-Chlorophenyl)-3-(4-((3,4-dimethylphenyl)diazenyl)-3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropanamide; N-(4-chlorophenyl)-3-[4-[(E)-(3,4-dimethylphenyl)azo]-3,5-dimethyl-pyrazol-1-yl]-3-oxo-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679509	.	.	.	.	423.9	C22H22ClN5O2	88.7	637	5.6	30	1	5	5	"InChI=1S/C22H22ClN5O2/c1-13-5-8-19(11-14(13)2)25-26-22-15(3)27-28(16(22)4)21(30)12-20(29)24-18-9-6-17(23)7-10-18/h5-11H,12H2,1-4H3,(H,24,29)"	CC1=C(C=C(C=C1)N=NC2=C(N(N=C2C)C(=O)CC(=O)NC3=CC=C(C=C3)Cl)C)C	JCJLRIFZRJZLCG-UHFFFAOYSA-N
DG56705	NSC679518	386810	"1-[(4aR,5R,11cS)-5-chloro-7-(4-methoxyphenyl)sulfonyl-3,4,4a,5,6,11c-hexahydro-2H-pyrido[3,2-c]carbazol-1-yl]-2-(p-tolylsulfinyl)ethanone; NSC679518; CHEMBL2002127; NSC-679518; NCI60_028448; 1-[(4aR,5R,11cS)-5-chloro-7-(4-methoxyphenyl)sulfonyl-3,4,4a,5,6,11c-hexahydro-2H-pyrido[3,2-c]carbazol-1-yl]-2-(p-tolylsulfinyl)ethanone; 1H-Pyrido[3,2-c]carbazole, 5-chloro-2,3,4,4a,5,6,7,11c-octahydro-7-[(4-methoxyphenyl)sulfonyl]-1-[[(4-methylphenyl)sulfinyl]acetyl]-, (4aR,5R,11cS)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679518	.	.	.	.	611.2	C31H31ClN2O5S2	113	1070	5.3	41	0	6	6	"InChI=1S/C31H31ClN2O5S2/c1-20-9-13-22(14-10-20)40(36)19-29(35)33-17-5-7-24-26(32)18-28-30(31(24)33)25-6-3-4-8-27(25)34(28)41(37,38)23-15-11-21(39-2)12-16-23/h3-4,6,8-16,24,26,31H,5,7,17-19H2,1-2H3/t24-,26+,31-,40 /m0/s1"	CC1=CC=C(C=C1)S(=O)CC(=O)N2CCC[C@@H]3[C@H]2C4=C(C[C@H]3Cl)N(C5=CC=CC=C54)S(=O)(=O)C6=CC=C(C=C6)OC	FUFMXEHZPUASGK-APLHKVLPSA-N
DG56706	"O2-benzyl O8-methyl 4,5-dioxo-3-(p-tolylsulfonyl)-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate"	386816	"NSC679524; MLS002702316; NCIMech_000846; CHEMBL1722956; SCHEMBL15413322; ZINC1647563; CCG-36134; NSC-679524; NCI60_028454; SMR001565878; Benzo[1,2-b:4,3-b']dipyrrole-2,8-dicarboxylic acid, 4,5-dihydro-3-[(4-methylphenyl)sulfonyl]-4,5-dioxo-, phenylmethyl methyl diester; Benzo[1,3-b']dipyrrole-2,8-dicarboxylic acid, 4,5-dihydro-3-[(4-methylphenyl)sulfonyl]-4,5-dioxo-, phenylmethyl methyl diester; O2-benzyl O8-methyl 4,5-dioxo-3-(p-tolylsulfonyl)-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679524	.	.	.	.	532.5	C27H20N2O8S	150	1060	3.9	38	1	8	8	"InChI=1S/C27H20N2O8S/c1-15-8-10-17(11-9-15)38(34,35)29-20(27(33)37-14-16-6-4-3-5-7-16)12-18-21-19(26(32)36-2)13-28-22(21)24(30)25(31)23(18)29/h3-13,28H,14H2,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C(=O)C(=O)C4=C3C(=CN4)C(=O)OC)C(=O)OCC5=CC=CC=C5	JWANQWULRQLQBX-UHFFFAOYSA-N
DG56707	"Benzyl 7-(methoxycarbonyl)-3,4,5,6-tetrahydro-4,5-dioxo-6-((4-methylphenyl)sulfonyl)benzo(1,2-b:4,3-b')dipyrrole-1-carboxylate"	386817	"106674-03-7; MLS002702317; NSC679525; Benzyl 7-(methoxycarbonyl)-3,4,5,6-tetrahydro-4,5-dioxo-6-((4-methylphenyl)sulfonyl)benzo(1,2-b:4,3-b')dipyrrole-1-carboxylate; SMR001565879; NSC 679525; cid_386817; CHEMBL1700880; SCHEMBL23483863; BDBM81250; DTXSID60147723; ZINC1647564; NSC-679525; 8-O-benzyl 2-O-methyl 3-(4-methylphenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate; NCI60_028455; 3-(4-methylphenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylic acid O2-methyl ester O8-(phenylmethyl) ester; 4,5-diketo-3-tosyl-6H-pyrrol[3,2-e]indole-2,8-dicarboxylic acid O8-benzyl ester O2-methyl ester; Benzyl 7-(methoxycarbonyl)-3,4,5,6-tetrahydro-4,5-dioxo- 6-((4-methylphenyl)sulfonyl)benzo[1,2-b:4,3-b']dipyrrole-1-carboxylate; Benzyl 7-(Methoxycarbonyl)-3,5,6-tetrahydro-4,5-dioxo- 6-((4-methylphenyl)sulfonyl)benzo[1,2-b:4,3-b']dipyrrole-1-carboxylate; O2-methyl O8-(phenylmethyl) 3-(4-methylphenyl)sulfonyl-4,5-bis(oxidanylidene)-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate; O8-benzyl O2-methyl 4,5-dioxo-3-(p-tolylsulfonyl)-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679525	.	.	.	.	532.5	C27H20N2O8S	150	1060	3.9	38	1	8	8	"InChI=1S/C27H20N2O8S/c1-15-8-10-17(11-9-15)38(34,35)29-20(27(33)36-2)12-18-21-19(13-28-22(21)24(30)25(31)23(18)29)26(32)37-14-16-6-4-3-5-7-16/h3-13,28H,14H2,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C(=O)C(=O)C4=C3C(=CN4)C(=O)OCC5=CC=CC=C5)C(=O)OC	AVADCSIAVBNFKV-UHFFFAOYSA-N
DG56708	"(3,3'-bi-1H-Pyrrole)-4,5'-dicarboxylic acid, 1'-((4-methylphenyl)sulfonyl)-, 5'-methyl 4-(phenylmethyl) ester"	386819	"106674-01-5; NSC679527; (3,3'-bi-1H-Pyrrole)-4,5'-dicarboxylic acid, 1'-((4-methylphenyl)sulfonyl)-, 5'-methyl 4-(phenylmethyl) ester; UNII-WDO527BMU2; WDO527BMU2; [3,3'-bi-1H-Pyrrole]-4,5'-dicarboxylic acid, 1'-[(4-methylphenyl)sulfonyl]-, 5'-methyl 4-(phenylmethyl) ester; NSC 679527; NCIMech_000870; CHEMBL2006492; DTXSID00147722; ZINC1647566; CCG-35790; NSC-679527; methyl 1-(4-methylphenyl)sulfonyl-4-(4-phenylmethoxycarbonyl-1H-pyrrol-3-yl)pyrrole-2-carboxylate; NCI60_028457; 4-Benzyl 5'-methyl 1'-tosyl-1H,1'H-[3,3'-bipyrrole]-4,5'-dicarboxylate; methyl 4-(4-benzyloxycarbonyl-1H-pyrrol-3-yl)-1-(p-tolylsulfonyl)pyrrole-2-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679527	.	.	.	.	478.5	C25H22N2O6S	116	814	4.2	34	1	6	9	"InChI=1S/C25H22N2O6S/c1-17-8-10-20(11-9-17)34(30,31)27-15-19(12-23(27)25(29)32-2)21-13-26-14-22(21)24(28)33-16-18-6-4-3-5-7-18/h3-15,26H,16H2,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2C(=O)OC)C3=CNC=C3C(=O)OCC4=CC=CC=C4	QKVKUVRBAUWJGI-UHFFFAOYSA-N
DG56709	"1-Benzyl 7-methyl 4-((diethoxyphosphoryl)oxy)-5-methoxy-3,4,5,6-tetrahydropyrrolo[3,2-e]indole-1,7-dicarboxylate"	386820	"NSC679528; CHEMBL1986629; NSC-679528; 1-Benzyl 7-methyl 4-((diethoxyphosphoryl)oxy)-5-methoxy-3,4,5,6-tetrahydropyrrolo[3,2-e]indole-1,7-dicarboxylate; NCI60_028458; O8-benzyl O2-methyl 5-diethoxyphosphoryloxy-4-methoxy-3,4,5,6-tetrahydropyrrolo[3,2-e]indole-2,8-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679528	.	.	.	.	532.5	C25H29N2O9P	138	829	2	37	2	9	13	"InChI=1S/C25H29N2O9P/c1-5-34-37(30,35-6-2)36-23-21-19(16-12-18(25(29)32-4)27-20(16)22(23)31-3)17(13-26-21)24(28)33-14-15-10-8-7-9-11-15/h7-13,22-23,26-27H,5-6,14H2,1-4H3"	CCOP(=O)(OCC)OC1C(C2=C(C=C(N2)C(=O)OC)C3=C1NC=C3C(=O)OCC4=CC=CC=C4)OC	LLKQEXVCEWRSMZ-UHFFFAOYSA-N
DG56710	Benzyl 4-formyl-1-(phenylsulfonyl)-1H-pyrrole-2-carboxylate	386824	NSC679532; CHEMBL1978785; Benzyl 4-formyl-1-(phenylsulfonyl)-1H-pyrrole-2-carboxylate; ZINC1647573; NSC-679532; NCI60_028462; benzyl 1-(benzenesulfonyl)-4-formyl-pyrrole-2-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679532	.	.	.	.	369.4	C19H15NO5S	90.8	588	3	26	0	5	7	"InChI=1S/C19H15NO5S/c21-13-16-11-18(19(22)25-14-15-7-3-1-4-8-15)20(12-16)26(23,24)17-9-5-2-6-10-17/h1-13H,14H2"	C1=CC=C(C=C1)COC(=O)C2=CC(=CN2S(=O)(=O)C3=CC=CC=C3)C=O	BQEFGBRFZMNZCR-UHFFFAOYSA-N
DG56711	"2',6'-Dichloro-4,9-dihydroxyspiro[6,7-dihydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1'-one"	386838	NSC679561; CHEMBL1976627; NSC-679561; NCI60_028473	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679561	.	.	.	.	350.2	C15H9Cl2N3O3	94.6	866	1.9	23	2	5	0	"InChI=1S/C15H9Cl2N3O3/c16-6-3-15(4-7(17)12(6)21)1-2-18-9-8(15)13(22)10-11(14(9)23)20-5-19-10/h3-5,22-23H,1-2H2"	C1CN=C2C(=C(C3=NC=NC3=C2O)O)C14C=C(C(=O)C(=C4)Cl)Cl	VHJRQNSWUPVHOH-UHFFFAOYSA-N
DG56712	"2-(Benzyloxy)-3-(1,3-dithian-2-yl)pyridine"	386850	"NSC679584; 2-(Benzyloxy)-3-(1,3-dithian-2-yl)pyridine; CHEMBL1977214; NSC-679584; NCI60_028492; 2-benzyloxy-3-(1,3-dithian-2-yl)pyridine; Benzyl 3-(1,3-dithian-2-yl)-2-pyridinyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679584	.	.	.	.	303.4	C16H17NOS2	72.7	278	4	20	0	4	4	"InChI=1S/C16H17NOS2/c1-2-6-13(7-3-1)12-18-15-14(8-4-9-17-15)16-19-10-5-11-20-16/h1-4,6-9,16H,5,10-12H2"	C1CSC(SC1)C2=C(N=CC=C2)OCC3=CC=CC=C3	ODTYYVUQMLVQBK-UHFFFAOYSA-N
DG56713	"2-(4-Bromophenyl)-3H-pyrrolo[2,3-c]isoquinolin-5-ol"	386858	"NSC679600; 2-(4-Bromophenyl)-3H-pyrrolo[2,3-c]isoquinolin-5-ol; CHEMBL1973724; NSC-679600; NCI60_028499"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679600	.	.	.	.	339.2	C17H11BrN2O	44.9	408	3.9	21	2	1	1	"InChI=1S/C17H11BrN2O/c18-11-7-5-10(6-8-11)15-9-14-12-3-1-2-4-13(12)17(21)20-16(14)19-15/h1-9H,(H2,19,20,21)"	C1=CC=C2C(=C1)C3=C(NC(=C3)C4=CC=C(C=C4)Br)NC2=O	CONSGDZGSJEQOT-UHFFFAOYSA-N
DG56714	tert-Butyl 1-(((2-amino-1-(ethoxymethyl)-2-oxoethyl)amino)carbonyl)-3-methylbutylcarbamate	386859	NSC679673; Boc-Leu-Ser(OEt)-NH2; CHEMBL1967043; NSC-679673; tert-Butyl 1-(((2-amino-1-(ethoxymethyl)-2-oxoethyl)amino)carbonyl)-3-methylbutylcarbamate; NCI60_028500; tert-butyl N-[1-[[2-amino-1-(ethoxymethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679673	.	.	.	.	345.43	C16H31N3O5	120	432	1.2	24	3	5	11	"InChI=1S/C16H31N3O5/c1-7-23-9-12(13(17)20)18-14(21)11(8-10(2)3)19-15(22)24-16(4,5)6/h10-12H,7-9H2,1-6H3,(H2,17,20)(H,18,21)(H,19,22)"	CCOCC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C	RSNJIQZEZGSUHT-UHFFFAOYSA-N
DG56715	Boc-Phe-Phe-Ala-OBzl	386865	"NSC679679; Boc-Phe-Phe-Ala-OBzl; CHEMBL1995975; NSC-679679; NCI60_028506; Benzyl 6,9-dibenzyl-2,2,12-trimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate; benzyl 2-[[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679679	.	.	.	.	573.7	C33H39N3O6	123	870	5.4	42	3	6	15	"InChI=1S/C33H39N3O6/c1-23(31(39)41-22-26-18-12-7-13-19-26)34-29(37)27(20-24-14-8-5-9-15-24)35-30(38)28(21-25-16-10-6-11-17-25)36-32(40)42-33(2,3)4/h5-19,23,27-28H,20-22H2,1-4H3,(H,34,37)(H,35,38)(H,36,40)"	CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C	BZQGEWYWJOXRIF-UHFFFAOYSA-N
DG56716	tert-Butyl 2-((1-(((1-((dimethylamino)carbonyl)-3-(methylthio)propyl)amino)carbonyl)-3-methylbutyl)amino)-2-oxoethylcarbamate	386867	NSC679681; Boc-Gly-Leu-Met-NMe2; CHEMBL1973887; NSC-679681; NCI60_028508; tert-Butyl 2-((1-(((1-((dimethylamino)carbonyl)-3-(methylthio)propyl)amino)carbonyl)-3-methylbutyl)amino)-2-oxoethylcarbamate; tert-butyl N-[2-[[1-[[1-(dimethylcarbamoyl)-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679681	.	.	.	.	446.6	C20H38N4O5S	142	590	1.9	30	3	6	13	"InChI=1S/C20H38N4O5S/c1-13(2)11-15(22-16(25)12-21-19(28)29-20(3,4)5)17(26)23-14(9-10-30-8)18(27)24(6)7/h13-15H,9-12H2,1-8H3,(H,21,28)(H,22,25)(H,23,26)"	CC(C)CC(C(=O)NC(CCSC)C(=O)N(C)C)NC(=O)CNC(=O)OC(C)(C)C	GRETYSXPUXVOFK-UHFFFAOYSA-N
DG56717	Boc-Gly-Phe-Leu-OEt	386869	"NSC679683; Boc-Gly-Phe-Leu-OEt; CHEMBL1981111; NSC-679683; NCI60_028510; ethyl 2-[[2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate; Ethyl 9-benzyl-12-isobutyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679683	.	.	.	.	463.6	C24H37N3O6	123	653	3.3	33	3	6	14	"InChI=1S/C24H37N3O6/c1-7-32-22(30)19(13-16(2)3)27-21(29)18(14-17-11-9-8-10-12-17)26-20(28)15-25-23(31)33-24(4,5)6/h8-12,16,18-19H,7,13-15H2,1-6H3,(H,25,31)(H,26,28)(H,27,29)"	CCOC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)OC(C)(C)C	SWOVJOSFBUHPNM-UHFFFAOYSA-N
DG56718	Z(OMe)-Gly-Ala-Phe-OBzl	386870	"NSC679684; NSC679685; Z(OMe)-Gly-Ala-Phe-OBzl; Z(OMe)-Gly-D-Ala-Phe-OBzl; CHEMBL1966036; NSC-679684; NSC-679685; NCI60_028511; NCI60_028512; Benzyl 11-benzyl-1-(4-methoxyphenyl)-8-methyl-3,6,9-trioxo-2-oxa-4,7,10-triazadodecan-12-oate; benzyl 2-[2-[[2-[(4-methoxyphenyl)methoxycarbonylamino]acetyl]amino]propanoylamino]-3-phenyl-propanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679684	.	.	.	.	547.6	C30H33N3O7	132	803	3.6	40	3	7	15	"InChI=1S/C30H33N3O7/c1-21(32-27(34)18-31-30(37)40-20-24-13-15-25(38-2)16-14-24)28(35)33-26(17-22-9-5-3-6-10-22)29(36)39-19-23-11-7-4-8-12-23/h3-16,21,26H,17-20H2,1-2H3,(H,31,37)(H,32,34)(H,33,35)"	CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)CNC(=O)OCC3=CC=C(C=C3)OC	CRXSREULUSVSDD-UHFFFAOYSA-N
DG56719	"Ethyl 5-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate"	386876	"NSC679716; Ethyl 5-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate; ethyl 4-phenyl-5-(phenylcarbonyl)-4,5-dihydro-1H-pyrazole-3-carboxylate; CBMicro_046034; CHEMBL1992121; STK098059; AKOS000477787; AKOS022081299; CCG-109311; NSC-679716; NCI60_028514; BIM-0046064.P001; SR-01000466694; SR-01000466694-1; 1H-Pyrazole-3-carboxylic acid,5-dihydro- 4-phenyl-, ethyl ester; ethyl 5-benzoyl-4-phenyl-4,5-dihydro-1h-pyra-zole-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679716	.	.	.	.	322.4	C19H18N2O3	67.8	491	3.6	24	1	5	6	"InChI=1S/C19H18N2O3/c1-2-24-19(23)17-15(13-9-5-3-6-10-13)16(20-21-17)18(22)14-11-7-4-8-12-14/h3-12,15-16,20H,2H2,1H3"	CCOC(=O)C1=NNC(C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3	QMURMMKDJQPFOC-UHFFFAOYSA-N
DG56720	"2,6-Ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)phenyl]phenol"	386877	"NSC679735; CHEMBL1992690; NSC-679735; [1,1':4',1''-Terphenyl]-4,4''-diol, 3,3'',5,5''-tetrakis(1,1-dimethylethyl)-; NCI60_028515; J3.542.985I; 2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)phenyl]phenol; 3,3'',5,5''-Tetra(tert-butyl)-1,1':4',1''-terbenzene-4,4''-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679735	.	.	.	.	486.7	C34H46O2	40.5	593	11.2	36	2	2	6	"InChI=1S/C34H46O2/c1-31(2,3)25-17-23(18-26(29(25)35)32(4,5)6)21-13-15-22(16-14-21)24-19-27(33(7,8)9)30(36)28(20-24)34(10,11)12/h13-20,35-36H,1-12H3"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC=C(C=C2)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C	VBADAZYLOHVWTQ-UHFFFAOYSA-N
DG56721	"2,6-Ditert-butyl-4-[10-(3,5-ditert-butyl-1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)-9-anthryl]-4-hydroxy-cyclohexa-2,5-dien-1-one"	386880	"NSC679738; CHEMBL1999278; NSC-679738; NCI60_028518; 2,5-Cyclohexadien-1-one, 4,4'-(9,10-anthracenediyl)bis[2,6-bis(1,1-dimethylethyl)-4-hydroxy-; 2,6-ditert-butyl-4-[10-(3,5-ditert-butyl-1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)-9-anthryl]-4-hydroxy-cyclohexa-2,5-dien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679738	.	.	.	.	618.8	C42H50O4	74.6	1170	10.2	46	2	4	6	"InChI=1S/C42H50O4/c1-37(2,3)29-21-41(45,22-30(35(29)43)38(4,5)6)33-25-17-13-15-19-27(25)34(28-20-16-14-18-26(28)33)42(46)23-31(39(7,8)9)36(44)32(24-42)40(10,11)12/h13-24,45-46H,1-12H3"	CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)(C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5(C=C(C(=O)C(=C5)C(C)(C)C)C(C)(C)C)O)O	UPMFBCDDRXWCKE-UHFFFAOYSA-N
DG56722	"Methyl (3,5-di-tert-butyl-4-hydroxyphenyl)(((4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl)amino)acetate"	386881	"NSC679739; CHEMBL1989961; NSC-679739; NCI60_028519; Methyl (3,5-di-tert-butyl-4-hydroxyphenyl)(((4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl)amino)acetate; methyl 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl)amino]acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679739	.	.	.	.	473.6	C27H39NO6	102	828	5.7	34	2	6	7	"InChI=1S/C27H39NO6/c1-23(2,3)16-13-15(14-17(19(16)29)24(4,5)6)18(20(30)33-10)28-21(31)27-12-11-26(9,22(32)34-27)25(27,7)8/h13-14,18,29H,11-12H2,1-10H3,(H,28,31)"	CC1(C2(CCC1(OC2=O)C(=O)NC(C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C(=O)OC)C)C	CAFYNMFOENUKGP-UHFFFAOYSA-N
DG56723	"12-(3,5-Di-tert-butyl-4-hydroxyphenyl)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,9-dione"	386885	"NSC679743; MLS002702318; CHEMBL1875716; NSC-679743; 12-(3,5-Di-tert-butyl-4-hydroxyphenyl)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,9-dione; NCI60_028523; SMR001565880; 12-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,9-dione; 1,7,10,13,16-Hexaoxacyclooctadecane-2,9-dione, 12-[4-hydroxy-3,5-bis(1,1-dimethylethyl)phenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679743	.	.	.	.	496.6	C26H40O9	110	628	3.8	35	1	9	3	"InChI=1S/C26H40O9/c1-25(2,3)19-13-18(14-20(24(19)29)26(4,5)6)21-15-35-23(28)17-32-8-7-31-16-22(27)34-12-10-30-9-11-33-21/h13-14,21,29H,7-12,15-17H2,1-6H3"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2COC(=O)COCCOCC(=O)OCCOCCO2	NEUCTMQXHTUDCQ-UHFFFAOYSA-N
DG56724	"[1,1'-Binaphthalene]-3,3',4,4'-tetrone, 2,2',6,6'-tetramethyl-"	386890	"NSC679748; CHEMBL1984263; ZINC1647614; [1,1'-Binaphthalene]-3,3',4,4'-tetrone, 2,2',6,6'-tetramethyl-; NSC-679748; NCI60_028528; [1,3',4,4'-tetrone, 2,2',6,6'-tetramethyl-; 4-(2,6-dimethyl-3,4-dioxo-1-naphthyl)-3,7-dimethyl-naphthalene-1,2-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679748	.	.	.	.	370.4	C24H18O4	68.3	773	3.3	28	0	4	1	"InChI=1S/C24H18O4/c1-11-5-7-15-17(9-11)23(27)21(25)13(3)19(15)20-14(4)22(26)24(28)18-10-12(2)6-8-16(18)20/h5-10H,1-4H3"	CC1=CC2=C(C=C1)C(=C(C(=O)C2=O)C)C3=C(C(=O)C(=O)C4=C3C=CC(=C4)C)C	INZJEVFGUQNHRA-UHFFFAOYSA-N
DG56725	"[1,1'-Binaphthalene]-3,3',4,4'-tetrone"	386891	"NSC679749; UNII-296CFO5QF6; 296CFO5QF6; [1,1'-Binaphthalene]-3,3',4,4'-tetrone; (1,1'-Binaphthalene)-3,3',4,4'-tetrone; SCHEMBL8600693; CHEMBL2003280; 4,4'-Bi(1,2-naphthoquinone); 4,4'-Bi-(1,2-naphthochinon); ZINC1647615; NSC-679749; NCI60_028529; 4-(3,4-dioxo-1-naphthyl)naphthalene-1,2-dione; 64517-67-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679749	.	.	.	.	314.3	C20H10O4	68.3	636	1.8	24	0	4	1	InChI=1S/C20H10O4/c21-17-9-15(11-5-1-3-7-13(11)19(17)23)16-10-18(22)20(24)14-8-4-2-6-12(14)16/h1-10H	C1=CC=C2C(=C1)C(=CC(=O)C2=O)C3=CC(=O)C(=O)C4=CC=CC=C43	STWDPXLKJOBSQW-UHFFFAOYSA-N
DG56726	"2,6-Bis((2-aminophenyl)thio)benzonitrile"	386900	"NSC679800; 2,6-Bis((2-aminophenyl)thio)benzonitrile; 2,6-bis[(2-aminophenyl)sulfanyl]benzonitrile; NSC-679800; NCI60_028536"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679800	.	.	.	.	349.5	C19H15N3S2	126	417	4.4	24	2	5	4	"InChI=1S/C19H15N3S2/c20-12-13-16(23-18-8-3-1-6-14(18)21)10-5-11-17(13)24-19-9-4-2-7-15(19)22/h1-11H,21-22H2"	C1=CC=C(C(=C1)N)SC2=C(C(=CC=C2)SC3=CC=CC=C3N)C#N	SGIVCRZHRFMBSI-UHFFFAOYSA-N
DG56727	3-((9H-Purin-6-ylthio)methyl)benzonitrile	386902	NSC679802; CHEMBL4787327; 3-((9H-Purin-6-ylthio)methyl)benzonitrile; BDBM50562393; AKOS011538335; NSC-679802; NCI60_028538; 3-(9H-purin-6-ylsulfanylmethyl)benzonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679802	.	.	.	.	267.31	C13H9N5S	104	354	2.2	19	1	5	3	"InChI=1S/C13H9N5S/c14-5-9-2-1-3-10(4-9)6-19-13-11-12(16-7-15-11)17-8-18-13/h1-4,7-8H,6H2,(H,15,16,17,18)"	C1=CC(=CC(=C1)C#N)CSC2=NC=NC3=C2NC=N3	GHBHZUFGNMVIQF-UHFFFAOYSA-N
DG56728	"Ethyl 5-cyano-6-(2-furyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate"	386904	"NSC679804; NSC-679804; NCI60_028540; ethyl 5-cyano-6-(2-furyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate; 3-Pyridinecarboxylic acid,4-dihydro- 6-(2-furanyl)-2-methyl-4-(3-nitrophenyl)-, ethyl ester; Ethyl 5-cyano-6-(2-furyl)-4-(3-(hydroxy(oxido)amino)phenyl)-2-methyl-1,4-dihydro-3-pyridinecarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679804	.	.	.	.	379.4	C20H17N3O5	121	758	3	28	1	7	5	"InChI=1S/C20H17N3O5/c1-3-27-20(24)17-12(2)22-19(16-8-5-9-28-16)15(11-21)18(17)13-6-4-7-14(10-13)23(25)26/h4-10,18,22H,3H2,1-2H3"	CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)C3=CC=CO3)C	YLPDZGQFQFVKEM-UHFFFAOYSA-N
DG56729	"Tri(tert-butyl) 7-cyano-2-((diisopropylamino)carbonyl)-1,3,5-cubanetricarboxylate"	386912	"NSC679813; CHEMBL2000460; NSC-679813; Tri(tert-butyl) 7-cyano-2-((diisopropylamino)carbonyl)-1,3,5-cubanetricarboxylate; NCI60_028548; tritert-butyl 7-cyano-2-(diisopropylcarbamoyl)cubane-1,3,5-tricarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679813	.	.	.	.	556.7	C31H44N2O7	123	1150	2.3	40	0	8	12	"InChI=1S/C31H44N2O7/c1-15(2)33(16(3)4)20(34)31-28(21(35)38-24(5,6)7)17-27(14-32)18(28)30(31,23(37)40-26(11,12)13)19(27)29(17,31)22(36)39-25(8,9)10/h15-19H,1-13H3"	CC(C)N(C(C)C)C(=O)C12C3(C4C1(C5C4(C3C25C(=O)OC(C)(C)C)C#N)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	KQHPGQOLALKUDE-UHFFFAOYSA-N
DG56730	"2-[Tert-butyl(methyl)carbamoyl]cubane-1,3,5,7-tetracarboxylic acid"	386914	"NSC679815; CHEMBL1966564; ZINC1647635; 2-[tert-butyl(methyl)carbamoyl]cubane-1,3,5,7-tetracarboxylic acid; 2-((tert-Butyl(methyl)amino)carbonyl)-1,3,5,7-cubanetetracarboxylic acid; NSC-679815; NCI60_028550"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679815	.	.	.	.	393.3	C18H19NO9	170	868	-2.4	28	4	9	6	"InChI=1S/C18H19NO9/c1-13(2,3)19(4)8(20)18-15(10(23)24)5-14(9(21)22)6(15)17(18,12(27)28)7(14)16(5,18)11(25)26/h5-7H,1-4H3,(H,21,22)(H,23,24)(H,25,26)(H,27,28)"	CC(C)(C)N(C)C(=O)C12C3(C4C1(C5C4(C3C25C(=O)O)C(=O)O)C(=O)O)C(=O)O	ZEPFVKBECFBXLF-UHFFFAOYSA-N
DG56731	"Naphth[2, 2-methyl-4-[4-(4-morpholinyl)phenylimino]-"	386916	"NSC679822; CHEMBL1989971; NSC-679822; NCI60_028552; Naphth[2, 2-methyl- 4-[4-(4-morpholinyl)phenylimino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679822	.	.	.	.	373.4	C22H19N3O3	67.9	610	3.9	28	0	6	2	"InChI=1S/C22H19N3O3/c1-14-23-20-19(17-4-2-3-5-18(17)21(26)22(20)28-14)24-15-6-8-16(9-7-15)25-10-12-27-13-11-25/h2-9H,10-13H2,1H3"	CC1=NC2=C(O1)C(=O)C3=CC=CC=C3C2=NC4=CC=C(C=C4)N5CCOCC5	HLXGNWJHGGFISJ-UHFFFAOYSA-N
DG56732	"5, 7-[(2,2-Diphenylethyl)amino]-"	386917	"NSC679824; CHEMBL1966341; 5, 7-[(2,2-diphenylethyl)amino]-; NSC-679824; NCI60_028553"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679824	.	.	.	.	354.4	C23H18N2O2	59.1	555	4.3	27	1	4	5	"InChI=1S/C23H18N2O2/c26-21-14-20(23(27)22-18(21)12-7-13-24-22)25-15-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,19,25H,15H2"	C1=CC=C(C=C1)C(CNC2=CC(=O)C3=C(C2=O)N=CC=C3)C4=CC=CC=C4	VTOARLHNQXXNDB-UHFFFAOYSA-N
DG56733	Ochraceolide A	386922	Ochraceolide A; hexamethyl(methylene)[ ]dione; CHEMBL512065; NSC680072; NSC-680072; NCI60_028560	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680072	.	.	.	.	452.7	C30H44O3	43.4	948	7.7	33	0	3	0	"InChI=1S/C30H44O3/c1-17-23-19(33-25(17)32)16-27(4)14-15-29(6)18(24(23)27)8-9-21-28(5)12-11-22(31)26(2,3)20(28)10-13-30(21,29)7/h18-21,23-24H,1,8-16H2,2-7H3/t18-,19-,20+,21-,23-,24+,27+,28+,29-,30-/m1/s1"	C[C@@]12CC[C@@]3([C@@H]([C@H]1[C@H]4[C@@H](C2)OC(=O)C4=C)CC[C@H]5[C@]3(CC[C@@H]6[C@@]5(CCC(=O)C6(C)C)C)C)C	YCZVTFNLKYNKPH-JLHSILEKSA-N
DG56734	2-(4-Methoxyphenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline	386966	NSC680193; CHEMBL1986641; ZINC1647666; NSC-680193; NCI60_028600	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680193	.	.	.	.	396.4	C22H15F3N2O2	44.2	519	5.6	29	0	7	4	"InChI=1S/C22H15F3N2O2/c1-28-16-8-10-17(11-9-16)29-21-20(14-5-3-2-4-6-14)26-19-13-15(22(23,24)25)7-12-18(19)27-21/h2-13H,1H3"	COC1=CC=C(C=C1)OC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4	BKJWGNMBBVGWTH-UHFFFAOYSA-N
DG56735	"5-Amino-4-cyano-2-(3-pyridyl)-1,3-oxazole"	386975	"NSC680217; 5-amino-4-cyano-2-(3-pyridyl)-1,3-oxazole; 909077-78-7; 5-Amino-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile; CHEMBL1972387; NSC-680217; NCI60_028611; 5-amino-2-(3-pyridyl)oxazole-4-carbonitrile; 2-(3-Pyridinyl)-5-aminooxazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680217	.	.	.	.	186.17	C9H6N4O	88.7	248	1.2	14	1	5	1	"InChI=1S/C9H6N4O/c10-4-7-8(11)14-9(13-7)6-2-1-3-12-5-6/h1-3,5H,11H2"	C1=CC(=CN=C1)C2=NC(=C(O2)N)C#N	IPDAAVATMABPQS-UHFFFAOYSA-N
DG56736	"8,9-Dimethoxy-2,3,5,6-tetrahydro-1H-benzo[de]pyrido[3,2,1-ij]quinoline-10,11-dione"	386981	"NSC680292; CHEMBL1989990; NSC-680292; 8,9-Dimethoxy-2,3,5,6-tetrahydro-1H-benzo[de]pyrido[3,2,1-ij]quinoline-10,11-dione; NCI60_028618"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680292	.	.	.	.	299.32	C17H17NO4	55.8	555	1.7	22	0	5	2	"InChI=1S/C17H17NO4/c1-21-11-8-9-5-7-18-6-3-4-10-14(18)12(9)13(17(11)22-2)16(20)15(10)19/h8H,3-7H2,1-2H3"	COC1=C(C2=C3C(=C1)CCN4C3=C(CCC4)C(=O)C2=O)OC	VMUFXODGFRIDFQ-UHFFFAOYSA-N
DG56737	(6-Chloro-3-(4-methyl-1-piperidinyl)-4-pyridazinyl)(phenyl)methanone	386986	NSC680297; CHEMBL1971726; (6-Chloro-3-(4-methyl-1-piperidinyl)-4-pyridazinyl)(phenyl)methanone; NSC-680297; NCI60_028623; [6-chloro-3-(4-methyl-1-piperidyl)pyridazin-4-yl]-phenyl-methanone; [6-Chloro-3-(4-methyl-1-piperidinyl)-4-pyridazinyl](phenyl) ketone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680297	.	.	.	.	315.8	C17H18ClN3O	46.1	378	3.9	22	0	4	3	"InChI=1S/C17H18ClN3O/c1-12-7-9-21(10-8-12)17-14(11-15(18)19-20-17)16(22)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3"	CC1CCN(CC1)C2=NN=C(C=C2C(=O)C3=CC=CC=C3)Cl	FLXHAYHAESRZCS-UHFFFAOYSA-N
DG56738	benzyl N-[4-guanidino-1-[(2-hydroxy-4-methyl-7-quinolyl)carbamoyl]butyl]carbamate; carbonic acid	386992	NSC680303; CHEMBL1970706; NSC-680303; benzyl N-[4-guanidino-1-[(2-hydroxy-4-methyl-7-quinolyl)carbamoyl]butyl]carbamate; carbonic acid; Carbonic acid compound with benzyl 4-((amino(imino)methyl)amino)-1-(((2-hydroxy-4-methyl-7-quinolinyl)amino)carbonyl)butylcarbamate (1:1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680303	.	.	.	.	526.5	C25H30N6O7	219	815	.	38	7	8	10	"InChI=1S/C24H28N6O4.CH2O3/c1-15-12-21(31)29-20-13-17(9-10-18(15)20)28-22(32)19(8-5-11-27-23(25)26)30-24(33)34-14-16-6-3-2-4-7-16;2-1(3)4/h2-4,6-7,9-10,12-13,19H,5,8,11,14H2,1H3,(H,28,32)(H,29,31)(H,30,33)(H4,25,26,27);(H2,2,3,4)"	CC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C(CCCN=C(N)N)NC(=O)OCC3=CC=CC=C3.C(=O)(O)O	FTTOWHURYNPFNN-UHFFFAOYSA-N
DG56739	"4-Anilino-1-benzyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol"	386994	"NSC680304; CHEMBL1977601; 4-Anilino-1-benzyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol; NSC-680304; NCI60_028629; 7-anilino-3-benzyl-triazolo[4,5-d]pyridazin-4-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680304	.	.	.	.	318.33	C17H14N6O	84.2	484	2.1	24	2	4	4	"InChI=1S/C17H14N6O/c24-17-15-14(16(20-21-17)18-13-9-5-2-6-10-13)19-22-23(15)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,18,20)(H,21,24)"	C1=CC=C(C=C1)CN2C3=C(C(=NNC3=O)NC4=CC=CC=C4)N=N2	NALZIEJKBSGTGH-UHFFFAOYSA-N
DG56740	"1,3-Bis(6-methoxy-2-naphthalenecarboxamido)propane"	387000	"NSC680313; CHEMBL18006; 1,3-Bis(6-methoxy-2-naphthalenecarboxamido)propane; BDBM50057342; NSC-680313; 6-methoxy-N-[3-[(6-methoxynaphthalene-2-carbonyl)amino]propyl]naphthalene-2-carboxamide; NCI60_028634; N,N'-Trimethylenebis(6-methoxy-2-naphthamide); 2N-[3-(6-methoxy-2-naphthyl carboxamido)propyl]-6-methoxy-2-naphthamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680313	.	.	.	.	442.5	C27H26N2O4	76.7	602	5	33	2	4	8	"InChI=1S/C27H26N2O4/c1-32-24-10-8-18-14-22(6-4-20(18)16-24)26(30)28-12-3-13-29-27(31)23-7-5-21-17-25(33-2)11-9-19(21)15-23/h4-11,14-17H,3,12-13H2,1-2H3,(H,28,30)(H,29,31)"	COC1=CC2=C(C=C1)C=C(C=C2)C(=O)NCCCNC(=O)C3=CC4=C(C=C3)C=C(C=C4)OC	KBKKDVJPBSYMDW-UHFFFAOYSA-N
DG56741	"Phenethyl 3-(2,5-dihydroxyphenyl)propanoate"	387004	"NSC680317; phenethyl 3-(2,5-dihydroxyphenyl)propanoate; 2-Phenylethyl 3-(2,5-dihydroxyphenyl)propanoate; SCHEMBL490605; CHEMBL1995187; NSC-680317; NCI60_028637; 3-(2,5-Dihydroxyphenyl)propionic acid phenethyl ester; Benzenepropanoic acid,5-dihydroxy-, 2-phenylethylester; Propanoic acid,5-dihydroxyphenyl)-, 2-phenylethylester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680317	.	.	.	.	286.32	C17H18O4	66.8	312	3.3	21	2	4	7	"InChI=1S/C17H18O4/c18-15-7-8-16(19)14(12-15)6-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-5,7-8,12,18-19H,6,9-11H2"	C1=CC=C(C=C1)CCOC(=O)CCC2=C(C=CC(=C2)O)O	HANVRACIAIQRLU-UHFFFAOYSA-N
DG56742	"3-(4-Bromophenyl)-7-methoxy-1,1-dimethyl-1H-cyclopenta[b]quinoxaline"	387007	"NSC680320; CHEMBL1989782; 3-(4-Bromophenyl)-7-methoxy-1,1-dimethyl-1H-cyclopenta[b]quinoxaline; NSC-680320; NCI60_028640; 1-(4-bromophenyl)-6-methoxy-3,3-dimethyl-cyclopenta[b]quinoxaline; 3-(4-Bromophenyl)-1,1-dimethyl-1H-cyclopenta[b]quinoxalin-7-yl methyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680320	.	.	.	.	381.3	C20H17BrN2O	35	498	4.8	24	0	3	2	"InChI=1S/C20H17BrN2O/c1-20(2)11-15(12-4-6-13(21)7-5-12)18-19(20)23-17-10-14(24-3)8-9-16(17)22-18/h4-11H,1-3H3"	CC1(C=C(C2=NC3=C(C=C(C=C3)OC)N=C21)C4=CC=C(C=C4)Br)C	HPHBODYRIWRPDA-UHFFFAOYSA-N
DG56743	"4,6-Dihydropyrazolo[4,3-d][1]benzazepin-5(1H)-one"	387019	"NSC680340; CHEMBL2000936; ZINC5542407; NSC-680340; NCI60_028654; 4,6-dihydro-1H-pyrazolo[4,3-d][1]benzazepin-5-one; 4,6-Dihydropyrazolo[4,3-d][1]benzazepin-5(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680340	.	.	.	.	199.21	C11H9N3O	57.8	269	0.7	15	2	2	0	"InChI=1S/C11H9N3O/c15-10-5-7-6-12-14-11(7)8-3-1-2-4-9(8)13-10/h1-4,6H,5H2,(H,12,14)(H,13,15)"	C1C2=C(C3=CC=CC=C3NC1=O)NN=C2	QJOSUMCUWHXYNO-UHFFFAOYSA-N
DG56744	"3-(3-Nitrophenyl)indeno[1,2-e][1,2,4]triazin-9-one"	387030	"NSC680350; CHEMBL240143; 3-(3-nitrophenyl)indeno[1,2-e][1,2,4]triazin-9-one; Aza-heterocyclic Derivative, 4c; BDBM19183; NSC-680350; NCI60_028663; 3-(3-(Hydroxy(oxido)amino)phenyl)-9H-indeno[1,2-e][1,2,4]triazin-9-one; 3-(3-nitrophenyl)-4aH,9H,9aH-indeno[1,2-e][1,2,4]triazin-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680350	.	.	.	.	304.26	C16H8N4O3	102	494	2.2	23	0	6	1	InChI=1S/C16H8N4O3/c21-15-12-7-2-1-6-11(12)13-14(15)18-19-16(17-13)9-4-3-5-10(8-9)20(22)23/h1-8H	C1=CC=C2C(=C1)C3=C(C2=O)N=NC(=N3)C4=CC(=CC=C4)[N+](=O)[O-]	UXOQLMUKTMDTGC-UHFFFAOYSA-N
DG56745	"2-Methyl-4-(4-methyl-1-piperazinyl)-5H-indeno[1,2-d]pyrimidine"	387036	"NSC680356; CHEMBL1969261; 2-Methyl-4-(4-methyl-1-piperazinyl)-5H-indeno[1,2-d]pyrimidine; 2-methyl-4-(4-methylpiperazin-1-yl)-5H-indeno[1,2-d]pyrimidine; NSC-680356; NCI60_028669"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680356	.	.	.	.	280.37	C17H20N4	32.299	366	2.5	21	0	4	1	"InChI=1S/C17H20N4/c1-12-18-16-14-6-4-3-5-13(14)11-15(16)17(19-12)21-9-7-20(2)8-10-21/h3-6H,7-11H2,1-2H3"	CC1=NC2=C(CC3=CC=CC=C32)C(=N1)N4CCN(CC4)C	NNDCHRMSKBOASE-UHFFFAOYSA-N
DG56746	"2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-didodecylpentanediamide"	387041	NSC680399; CHEMBL1971084; NSC-680399; NCI60_028674	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680399	.	.	.	.	789.1	C44H72N10O3	194	1080	8.8	57	5	10	31	"InChI=1S/C44H72N10O3/c1-4-6-8-10-12-14-16-18-20-22-30-47-38(55)29-28-37(43(57)48-31-23-21-19-17-15-13-11-9-7-5-2)51-42(56)34-24-26-36(27-25-34)54(3)33-35-32-49-41-39(50-35)40(45)52-44(46)53-41/h24-27,32,37H,4-23,28-31,33H2,1-3H3,(H,47,55)(H,48,57)(H,51,56)(H4,45,46,49,52,53)"	CCCCCCCCCCCCNC(=O)CCC(C(=O)NCCCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N	GEJHGYWJBHHFBZ-UHFFFAOYSA-N
DG56747	Adaphostin	387042	"Adaphostin; 241127-58-2; NSC 680410; NSC-680410; 1-Adamantyl 4-((2,5-dihydroxybenzyl)amino)benzoate; MLS002702320; NSC680410; 1-adamantyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate; Benzoic acid,4-[[(2,5-dihydroxyphenyl)methyl]amino]-, tricyclo[3.3.1.13,7]dec-1-yl ester; SCHEMBL182500; CHEMBL203695; Adaphostin, >=98% (HPLC); DTXSID50327719; ZINC3941698; HSCI1_000103; AKOS024457768; NCI60_028675; SMR001565882; HY-103275; CS-0026800; FT-0661424; J-015348; Benzoic acid,5-dihydroxyphenyl)methyl]amino]-,1-adamantyl ester; Benzoic acid,5-dihydroxyphenyl)methyl]amino]-, tricyclo[3.3.1.13,7]dec-1-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680410	.	.	.	.	393.5	C24H27NO4	78.8	558	5.2	29	3	5	6	"InChI=1S/C24H27NO4/c26-21-5-6-22(27)19(10-21)14-25-20-3-1-18(2-4-20)23(28)29-24-11-15-7-16(12-24)9-17(8-15)13-24/h1-6,10,15-17,25-27H,7-9,11-14H2"	C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)NCC5=C(C=CC(=C5)O)O	YJZSUCFGHXQWDM-UHFFFAOYSA-N
DG56748	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl (2-hydroxy-3-octadecoxypropyl) hydrogen phosphate"	387050	NSC680418; CHEMBL1971773; NSC-680418; NCI60_028677	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680418	.	.	.	.	652.7	C30H54FN2O10P	164	911	5.8	44	4	11	26	"InChI=1S/C30H54FN2O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-40-21-24(34)22-41-44(38,39)42-23-27-26(35)19-28(43-27)33-20-25(31)29(36)32-30(33)37/h20,24,26-28,34-35H,2-19,21-23H2,1H3,(H,38,39)(H,32,36,37)"	CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O)O	ZYZZRXMFGNKWAU-UHFFFAOYSA-N
DG56749	NSC680420	387052	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [5-[5-fluoro-4-(hexadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate; NSC680420; CHEMBL1976008; NSC-680420; NCI60_028679"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680420	.	.	.	.	777.8	C34H54F2N5O11P	209	1390	4.6	53	5	13	24	"InChI=1S/C34H54F2N5O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-37-31-23(35)19-40(33(45)38-31)29-17-25(43)28(51-29)22-49-53(47,48)52-26-18-30(50-27(26)21-42)41-20-24(36)32(44)39-34(41)46/h19-20,25-30,42-43H,2-18,21-22H2,1H3,(H,47,48)(H,37,38,45)(H,39,44,46)"	CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(C(O2)COP(=O)(O)OC3CC(OC3CO)N4C=C(C(=O)NC4=O)F)O	PNVSGXBBZCZTQV-UHFFFAOYSA-N
DG56750	5-Fluoro-4-(hexadecylamino)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one	387053	NSC680421; CHEMBL1978060; NSC-680421; NCI60_028680	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680421	.	.	.	.	469.6	C25H44FN3O4	94.4	629	6.8	33	3	5	18	"InChI=1S/C25H44FN3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-24-20(26)18-29(25(32)28-24)23-17-21(31)22(19-30)33-23/h18,21-23,30-31H,2-17,19H2,1H3,(H,27,28,32)"	CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(C(O2)CO)O	VIIIVEYBLWFYRP-UHFFFAOYSA-N
DG56751	N-(isopropylideneamino)-6-nitro-cinnolin-4-amine	387075	NSC680465; MLS003389269; CHEMBL1879523; ZINC5601639; NSC-680465; NCI60_028682; SMR002048926; N-(isopropylideneamino)-6-nitro-cinnolin-4-amine; Acetone (6-(hydroxy(oxido)amino)-4-cinnolinyl)hydrazone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680465	.	.	.	.	245.24	C11H11N5O2	96	337	1.2	18	1	6	2	"InChI=1S/C11H11N5O2/c1-7(2)13-15-11-6-12-14-10-4-3-8(16(17)18)5-9(10)11/h3-6H,1-2H3,(H,14,15)"	CC(=NNC1=CN=NC2=C1C=C(C=C2)[N+](=O)[O-])C	KXGLYSCVSAHRQN-UHFFFAOYSA-N
DG56752	4-(2-Cyanoethyl)-4-(hydroxyamino)heptanedinitrile	387078	NSC680469; 4-(2-Cyanoethyl)-4-(hydroxyamino)heptanedinitrile; CHEMBL1985776; ZINC1857353; NSC-680469; NCI60_028686	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680469	.	.	.	.	206.24	C10H14N4O	104	273	-0.7	15	2	5	7	"InChI=1S/C10H14N4O/c11-7-1-4-10(14-15,5-2-8-12)6-3-9-13/h14-15H,1-6H2"	C(CC(CCC#N)(CCC#N)NO)C#N	BXCBJARXKZYQAU-UHFFFAOYSA-N
DG56753	4-Amino-4-(2-carboxyethyl)heptanedioic acid	387081	"176738-98-0; 4-Amino-4-(2-carboxyethyl)heptanedioic acid; 4-AMINO-4-(2-CARBOXYETHYL)-HEPTANEDIOIC ACID; 4-Amino-4-(2-carboxyehtyl)-heptanedioic acid; NSC680472; Aminomethanetrispropionic acid; SCHEMBL7520399; CHEMBL1984934; DTXSID20327721; ZINC1857358; AKOS015911662; NSC-680472; AC-13310; NCI60_028688; 3,3',3''-(Aminomethylidyne)trispropionic acid; 738A980; J-011224"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680472	.	.	.	.	247.24	C10H17NO6	138	256	-3.5	17	4	7	9	"InChI=1S/C10H17NO6/c11-10(4-1-7(12)13,5-2-8(14)15)6-3-9(16)17/h1-6,11H2,(H,12,13)(H,14,15)(H,16,17)"	C(CC(CCC(=O)O)(CCC(=O)O)N)C(=O)O	UOPIUZMVWLTGPP-UHFFFAOYSA-N
DG56754	N-[2-(1-benzoyl-4-nitro-4-piperidyl)ethyl]benzamide	387088	NSC680479; CHEMBL1980912; NSC-680479; NCI60_028694; N-[2-(1-benzoyl-4-nitro-4-piperidyl)ethyl]benzamide; N-(2-(1-Benzoyl-4-(hydroxy(oxido)amino)-4-piperidinyl)ethyl)benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680479	.	.	.	.	381.4	C21H23N3O4	95.2	555	2.9	28	1	4	5	"InChI=1S/C21H23N3O4/c25-19(17-7-3-1-4-8-17)22-14-11-21(24(27)28)12-15-23(16-13-21)20(26)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,22,25)"	C1CN(CCC1(CCNC(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3	PCWSHUXPYJPZPP-UHFFFAOYSA-N
DG56755	"1,3,5-Trimethyl-2-phenyl-1,3,5,2-triazaborinane-4,6-dione"	387100	"NSC680491; 1,3,5-Trimethyl-2-phenyl-1,3,5,2-triazaborinane-4,6-dione; CHEMBL2000920; ZINC195515748; NSC-680491; NCI60_028700"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680491	.	.	.	.	231.06	C11H14BN3O2	43.9	309	.	17	0	2	1	"InChI=1S/C11H14BN3O2/c1-13-10(16)14(2)12(15(3)11(13)17)9-7-5-4-6-8-9/h4-8H,1-3H3"	B1(N(C(=O)N(C(=O)N1C)C)C)C2=CC=CC=C2	SDERIOGEXNGHMX-UHFFFAOYSA-N
DG56756	5-Nitrocinnoline	387102	5-nitrocinnoline; 2942-36-1; NSC680493; CHEMBL1974633; SCHEMBL11217287; 5-(Hydroxy(oxido)amino)cinnoline; DTXSID00327724; ZINC343412; CAA94236; AKOS016002432; NSC-680493; NCI60_028702	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680493	.	.	.	.	175.14	C8H5N3O2	71.6	204	1	13	0	4	0	InChI=1S/C8H5N3O2/c12-11(13)8-3-1-2-7-6(8)4-5-9-10-7/h1-5H	C1=CC2=C(C=CN=N2)C(=C1)[N+](=O)[O-]	CPVUBWULXBRCAQ-UHFFFAOYSA-N
DG56757	2-((4-Bromophenyl)diazenyl)quinoline	387104	(4-bromophenyl)-quinolin-2-yldiazene; 2-((4-Bromophenyl)diazenyl)quinoline; MLS000756723; NSC680495; SMR000450795; 25117-51-5; cid_387104; CHEMBL1574553; CHEMBL1971004; BDBM67295; 2-[(4-Bromophenyl)azo]quinoline; HMS2809B12; ZINC18043993; (4-bromophenyl)-(2-quinolyl)diazene; ZINC102738889; (4-bromophenyl)-(2-quinolinyl)diazene; (4-bromophenyl)-quinolin-2-yl-diazene; NSC-680495; NCI60_028704; (E)-(4-bromophenyl)-(2-quinolyl)diazene	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680495	.	.	.	.	312.16	C15H10BrN3	37.6	313	5	19	0	3	2	InChI=1S/C15H10BrN3/c16-12-6-8-13(9-7-12)18-19-15-10-5-11-3-1-2-4-14(11)17-15/h1-10H	C1=CC=C2C(=C1)C=CC(=N2)N=NC3=CC=C(C=C3)Br	JHSZMQCXWKUICJ-UHFFFAOYSA-N
DG56758	N-[2-(4-amino-1-benzoylpiperidin-4-yl)ethyl]benzamide;hydrochloride	387114	NSC680509; CHEMBL1984464; CCG-35809; NSC-680509	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680509	.	.	.	.	387.9	C21H26ClN3O2	75.4	474	.	27	3	3	5	"InChI=1S/C21H25N3O2.ClH/c22-21(11-14-23-19(25)17-7-3-1-4-8-17)12-15-24(16-13-21)20(26)18-9-5-2-6-10-18;/h1-10H,11-16,22H2,(H,23,25);1H"	C1CN(CCC1(CCNC(=O)C2=CC=CC=C2)N)C(=O)C3=CC=CC=C3.Cl	LFUZSJNPOKNCHI-UHFFFAOYSA-N
DG56759	"2,7-Dichloro-5-methyl[1,8]naphthyridin-3-amine"	387116	"NSC680510; 2,7-dichloro-5-methyl-1,8-naphthyridin-3-amine; 2,7-Dichloro-5-methyl[1,8]naphthyridin-3-amine; 1, 2,7-dichloro-5-methyl-; CHEMBL1980595; ZINC1857402; NSC-680510; NCI60_028713; 2,7-Dichloro-5-methyl[1,8]naphthyridin-3-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680510	.	.	.	.	228.07	C9H7Cl2N3	51.8	214	3.1	14	1	3	0	"InChI=1S/C9H7Cl2N3/c1-4-2-7(10)13-9-5(4)3-6(12)8(11)14-9/h2-3H,12H2,1H3"	CC1=CC(=NC2=NC(=C(C=C12)N)Cl)Cl	YSHQJRLPBAUONC-UHFFFAOYSA-N
DG56760	"[3-allyloxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-oxo-2H-furan-4-yl] acetate"	387132	"NSC680540; CHEMBL1966844; NSC-680540; Acetic acid 4-allyloxy-5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-2-oxo-2,5-dihydro-furan-3-yl ester; NCI60_028728; [3-allyloxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-oxo-2H-furan-4-yl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680540	.	.	.	.	298.29	C14H18O7	80.3	492	0.8	21	0	7	6	"InChI=1S/C14H18O7/c1-5-6-17-11-10(9-7-18-14(3,4)21-9)20-13(16)12(11)19-8(2)15/h5,9-10H,1,6-7H2,2-4H3"	CC(=O)OC1=C(C(OC1=O)C2COC(O2)(C)C)OCC=C	SNUSGDPWNYHOPC-UHFFFAOYSA-N
DG56761	3-[(4-Fluorophenyl)amino]quinoxaline-2-carboxylic acid ethyl ester	387137	NSC680553; CHEMBL2002975; NSC-680553; NCI60_028734; 3-[(4-Fluorophenyl)amino]quinoxaline-2-carboxylic acid ethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680553	.	.	.	.	311.31	C17H14FN3O2	64.099	401	4.3	23	1	6	5	"InChI=1S/C17H14FN3O2/c1-2-23-17(22)15-16(19-12-9-7-11(18)8-10-12)21-14-6-4-3-5-13(14)20-15/h3-10H,2H2,1H3,(H,19,21)"	CCOC(=O)C1=NC2=CC=CC=C2N=C1NC3=CC=C(C=C3)F	MLDNGIZDJGXSPI-UHFFFAOYSA-N
DG56762	"Methyl 4-(2-(3,6-dioxo-1,4-cyclohexadien-1-yl)ethyl)benzoate"	387145	"NSC680649; CHEMBL1964669; Methyl 4-(2-(3,6-dioxo-1,4-cyclohexadien-1-yl)ethyl)benzoate; methyl 4-[2-(3,6-dioxocyclohexa-1,4-dien-1-yl)ethyl]benzoate; NSC-680649; NCI60_028742; Benzoic acid,6-dioxo-1,4-cyclohexadienyl)-ethyl]-,methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680649	.	.	.	.	270.28	C16H14O4	60.4	465	2.1	20	0	4	5	"InChI=1S/C16H14O4/c1-20-16(19)12-5-2-11(3-6-12)4-7-13-10-14(17)8-9-15(13)18/h2-3,5-6,8-10H,4,7H2,1H3"	COC(=O)C1=CC=C(C=C1)CCC2=CC(=O)C=CC2=O	BTNNCURRMDNBNL-UHFFFAOYSA-N
DG56763	"N-(4,6-dichloro-5-methyl-pyrimidin-2-yl)-1H-benzimidazol-2-amine"	387150	"NSC680664; CHEMBL1978116; NSC-680664; NCI60_028745; 1H-Benzimidazol-2-amine, N-(4,6-dichloro-5-methyl-2-pyrimidinyl)-; N-(4,6-dichloro-5-methyl-pyrimidin-2-yl)-1H-benzimidazol-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680664	.	.	.	.	294.14	C12H9Cl2N5	66.5	307	4.3	19	2	4	2	"InChI=1S/C12H9Cl2N5/c1-6-9(13)17-12(18-10(6)14)19-11-15-7-4-2-3-5-8(7)16-11/h2-5H,1H3,(H2,15,16,17,18,19)"	CC1=C(N=C(N=C1Cl)NC2=NC3=CC=CC=C3N2)Cl	OCWKWOATJXIYOB-UHFFFAOYSA-N
DG56764	N-[4-chloro-5-(2-chloroethyl)-6-methyl-pyrimidin-2-yl]-1H-benzimidazol-2-amine	387152	"NSC680666; CHEMBL1974862; NSC-680666; NCI60_028747; 1H-Benzimidazol-2-amine, N-[4-chloro-5-(2-chloroethyl)-6-methyl-2-pyrimidinyl]-; N-[4-chloro-5-(2-chloroethyl)-6-methyl-pyrimidin-2-yl]-1H-benzimidazol-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680666	.	.	.	.	322.2	C14H13Cl2N5	66.5	345	4.2	21	2	4	4	"InChI=1S/C14H13Cl2N5/c1-8-9(6-7-15)12(16)20-13(17-8)21-14-18-10-4-2-3-5-11(10)19-14/h2-5H,6-7H2,1H3,(H2,17,18,19,20,21)"	CC1=C(C(=NC(=N1)NC2=NC3=CC=CC=C3N2)Cl)CCCl	QXLKYOMBVBDREG-UHFFFAOYSA-N
DG56765	2-(1H-benzimidazol-2-ylamino)-5-benzyl-4-hydroxy-1H-pyrimidin-6-one	387153	"NSC680667; CHEMBL1987114; 2-(1H-benzimidazol-2-ylamino)-5-benzyl-4-hydroxy-1H-pyrimidin-6-one; NSC-680667; 4(3H)-Pyrimidinone, 2-(1H-benzimidazol-2-ylamino)-6-hydroxy-5-(phenylmethyl)-; NCI60_028748"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680667	.	.	.	.	333.3	C18H15N5O2	102	582	2.3	25	4	4	4	"InChI=1S/C18H15N5O2/c24-15-12(10-11-6-2-1-3-7-11)16(25)22-18(21-15)23-17-19-13-8-4-5-9-14(13)20-17/h1-9H,10H2,(H4,19,20,21,22,23,24,25)"	C1=CC=C(C=C1)CC2=C(N=C(NC2=O)NC3=NC4=CC=CC=C4N3)O	UUXDVZOIILNGKS-UHFFFAOYSA-N
DG56766	N-(4-Chloro-6-phenyl-2-pyrimidinyl)-1H-benzimidazol-2-amine	387155	NSC680669; CHEMBL1991105; NSC-680669; NCI60_028750; N-(4-Chloro-6-phenyl-2-pyrimidinyl)-1H-benzimidazol-2-amine; N-(4-chloro-6-phenyl-pyrimidin-2-yl)-1H-benzimidazol-2-amine; N-(1H-Benzimidazol-2-yl)-N-(4-chloro-6-phenyl-2-pyrimidinyl)amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680669	.	.	.	.	321.8	C17H12ClN5	66.5	389	4.6	23	2	4	3	"InChI=1S/C17H12ClN5/c18-15-10-14(11-6-2-1-3-7-11)21-17(22-15)23-16-19-12-8-4-5-9-13(12)20-16/h1-10H,(H2,19,20,21,22,23)"	C1=CC=C(C=C1)C2=CC(=NC(=N2)NC3=NC4=CC=CC=C4N3)Cl	RTJYWYDYNMKREW-UHFFFAOYSA-N
DG56767	"ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate"	387158	"NSC680672; 210417-26-8; ethyl 6-oxo-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,6-dihydro-5-pyrimidinecarboxylate; ethyl 6-oxo-2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)-1H-pyrimidine-5-carboxylate; CHEMBL1982481; ZINC1857456; AKOS005102260; MCULE-7291473501; NSC-680672; Ethyl 4-hydroxy-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-5-pyrimidinecarboxylate; NCI60_028753; 8W-0230; SR-01000309428; SR-01000309428-1; ethyl 4-hydroxy-2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)pyrimidine-5-carboxylate; 2-[(3-Oxo-2,3,4,5,6,7-hexahydro-1H-indazole)-2-yl]-4-oxo-3,4-dihydropyrimidine-5-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680672	.	.	.	.	304.3	C14H16N4O4	100	647	0.9	22	2	6	4	"InChI=1S/C14H16N4O4/c1-2-22-13(21)9-7-15-14(16-11(9)19)18-12(20)8-5-3-4-6-10(8)17-18/h7,17H,2-6H2,1H3,(H,15,16,19)"	CCOC(=O)C1=CN=C(NC1=O)N2C(=O)C3=C(N2)CCCC3	JMQKUBQDZZKADW-UHFFFAOYSA-N
DG56768	"4-Hydroxy-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-5-pyrimidinecarbonitrile"	387160	"NSC680674; CHEMBL1991237; NSC-680674; 4-Hydroxy-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-5-pyrimidinecarbonitrile; NCI60_028755; 4-hydroxy-2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)pyrimidine-5-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680674	.	.	.	.	257.25	C12H11N5O2	97.6	619	0.4	19	2	5	1	"InChI=1S/C12H11N5O2/c13-5-7-6-14-12(15-10(7)18)17-11(19)8-3-1-2-4-9(8)16-17/h6,16H,1-4H2,(H,14,15,18)"	C1CCC2=C(C1)C(=O)N(N2)C3=NC=C(C(=O)N3)C#N	IFHRNPOXUOBCRA-UHFFFAOYSA-N
DG56769	"1,3,5-Triazino[1,2-a]benzimidazol-2-amine"	387165	"1,3,5-Triazino[1,2-a]benzimidazol-2-amine; 61678-05-5; benzo[4,5]imidazo[1,2-a][1,3,5]triazin-2-amine; [1,3,5]Triazino[1,2-a]benzimidazol-2-amine; NSC680679; MFCD00187925; C9H7N5; Cambridge id 5140725; Oprea1_528279; Benzo[4,5]imidazo[1,2-a][1,3,5]triazin-2-ylamine; CHEMBL1974614; DTXSID80327727; AMY20043; CCG-2184; ZINC8651862; 2-Aminotriazino[1,2-a]benzimidazole; 5013AJ; STK164626; AKOS000637941; MCULE-7124391810; NSC-680679; NCI60_028760; s-Triazino[1,2-a]benzoimidazole-2-amine; SY018134; AB0072554; [1,3,5]Triazino[1,2-a]benzimidazol-2-amine #; 1H-[1,3,5]triazino[1,2-a]benzimidazol-2-imine; A868654; [1,3,5]Triazino[1,2-a]benzimidazol-2(1H)-imine; 5H-[1,3,5]triazino[5,4-a]benzoimidazol-2-yl-amine; 1,8,10,12-tetraazatricyclo[7.4.0.0 , ]trideca-2,4,6,8,10,12-hexaen-11-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680679	.	.	.	.	185.19	C9H7N5	69.1	221	2	14	1	4	0	"InChI=1S/C9H7N5/c10-8-11-5-14-7-4-2-1-3-6(7)12-9(14)13-8/h1-5H,(H2,10,12,13)"	C1=CC=C2C(=C1)N=C3N2C=NC(=N3)N	REQUSPHPOKKVPV-UHFFFAOYSA-N
DG56770	3-Chloro-4-methyl-7-(2-oxo-2-phenylethoxy)-2H-chromen-2-one	387174	NSC680710; CHEMBL1983949; 3-Chloro-4-methyl-7-(2-oxo-2-phenylethoxy)-2H-chromen-2-one; ZINC1857504; NSC-680710; NCI60_028762; 3-chloro-4-methyl-7-phenacyloxy-chromen-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680710	.	.	.	.	328.7	C18H13ClO4	52.6	507	4	23	0	4	4	"InChI=1S/C18H13ClO4/c1-11-14-8-7-13(9-16(14)23-18(21)17(11)19)22-10-15(20)12-5-3-2-4-6-12/h2-9H,10H2,1H3"	CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=CC=C3)Cl	YXEWWJGSFMYIIE-UHFFFAOYSA-N
DG56771	"9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate"	387175	"123958-37-2; RM8UZT5WRZ; UNII-RM8UZT5WRZ; NSC680711; 9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate; 9-Oxo-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-1-yl acetate; NSC 680711; (5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-4-yl) acetate; CHEMBL1976097; DTXSID50154168; NSC-680711; NCI60_028763"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680711	.	.	.	.	218.25	C13H14O3	43.4	285	2.3	16	0	3	2	"InChI=1S/C13H14O3/c1-9(14)16-12-8-4-6-10-5-2-3-7-11(15)13(10)12/h4,6,8H,2-3,5,7H2,1H3"	CC(=O)OC1=CC=CC2=C1C(=O)CCCC2	YCYLKMWPCPPMFM-UHFFFAOYSA-N
DG56772	[(5-Oxo-5H-benzocyclohepten-4-yl)oxy]acetic acid	387176	123958-40-7; NSC680712; UNII-69N9JD028H; 69N9JD028H; ((5-Oxo-5H-benzo(a)cyclohepten-4-yl)oxy)acetic acid; ((5-Oxo-5H-benzo[a]cyclohepten-4-yl)oxy)acetic acid; [(5-Oxo-5H-benzocyclohepten-4-yl)oxy]acetic acid; 2-(5-oxobenzo[7]annulen-4-yl)oxyacetic acid; NSC 680712; CHEMBL1978572; DTXSID10154169; NSC-680712; NCI60_028764	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680712	.	.	.	.	230.22	C13H10O4	63.6	370	2.3	17	1	4	3	"InChI=1S/C13H10O4/c14-10-6-2-1-4-9-5-3-7-11(13(9)10)17-8-12(15)16/h1-7H,8H2,(H,15,16)"	C1=CC2=C(C(=O)C=C1)C(=CC=C2)OCC(=O)O	MMYVODITJBQRBR-UHFFFAOYSA-N
DG56773	2-Bromo-5-hydroxybenzaldehyde	387179	"2-Bromo-5-hydroxybenzaldehyde; 2973-80-0; 2-Bromo-5-hydroxy-benzaldehyde; 4-Bromo-3-formylphenol; 2-Bromo-5-(hydroxy)benzaldehyde; Benzaldehyde, 2-bromo-5-hydroxy-; 2-Bromo-5-hydroxy benzaldehyde; 2-BROMO-5-HYDROXYBENZADEHYDE; MFCD03033065; NSC680715; 6-Brom-3-oxy-benzaldehyd; DSSTox_CID_29121; DSSTox_RID_83340; DSSTox_GSID_49265; 6-bromo-3-hydroxybenzaldehyde; AKOS AKM01578; SCHEMBL289452; PHARMABRIDGE P-2678; CHEMBL1982591; DTXSID7049265; Benzaldehyde,2-bromo-5-hydroxy-; AKOS B020430; 6-bromo-meta hydroxyl benzaldehyde; ACT00731; BCP21669; ZINC1857510; Tox21_202820; BBL104269; CL8257; STK014392; 2-Bromo-5-hydroxybenzaldehyde, 95%; AKOS000310017; AB13035; AC-2397; AS02863; CS-W007430; MCULE-1836581660; NSC-680715; PS-4859; WT81700; NCGC00260366-01; NCGC00330296-01; BC003866; NCI60_028767; SY009332; CAS-2973-80-0; DB-006016; A5519; AM20060027; B3997; FT-0602294; X0254; AB01324915-02; J-508380; Q27451956; 1DW"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680715	.	.	.	.	201.02	C7H5BrO2	37.3	127	1.7	10	1	2	1	"InChI=1S/C7H5BrO2/c8-7-2-1-6(10)3-5(7)4-9/h1-4,10H"	C1=CC(=C(C=C1O)C=O)Br	SCRQAWQJSSKCFN-UHFFFAOYSA-N
DG56774	"N-(2-Bromo-5-methoxybenzylidene)-6,7-dimethoxy-1-naphthalenamine"	387181	"NSC680717; N-(2-Bromo-5-methoxybenzylidene)-6,7-dimethoxy-1-naphthalenamine; 56517-01-2; NSC 680717; CHEMBL1989007; ZINC1857511; ZINC104314855; NSC-680717; NCI60_028769; 2-Bromo-5-methoxybenzal-2',3'-dimethoxy-5-naphthylamine; N-(2-Bromo-5-methoxybenzylidene)-N-(6,7-dimethoxy-1-naphthyl)amine; 1-(2-bromo-5-methoxy-phenyl)-N-(6,7-dimethoxy-1-naphthyl)methanimine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680717	.	.	.	.	400.3	C20H18BrNO3	40	447	5.1	25	0	4	5	"InChI=1S/C20H18BrNO3/c1-23-15-7-8-17(21)14(9-15)12-22-18-6-4-5-13-10-19(24-2)20(25-3)11-16(13)18/h4-12H,1-3H3"	COC1=CC(=C(C=C1)Br)C=NC2=CC=CC3=CC(=C(C=C32)OC)OC	MKPKJMRTAOPOIE-UHFFFAOYSA-N
DG56775	"2,3,8-Trimethoxy-5-methylbenzo[c]phenanthridin-5-ium;iodide"	387182	"NSC680718; CHEMBL1991270; CCG-35832; NSC-680718; N-Methyl-2,8-trimethoxybenzo[c]phenanthridinium iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680718	.	.	.	.	461.3	C21H20INO3	31.6	458	.	26	0	4	3	"InChI=1S/C21H20NO3.HI/c1-22-12-14-9-15(23-2)6-8-16(14)17-7-5-13-10-19(24-3)20(25-4)11-18(13)21(17)22;/h5-12H,1-4H3;1H/q+1;/p-1"	C[N+]1=C2C(=C3C=CC(=CC3=C1)OC)C=CC4=CC(=C(C=C42)OC)OC.[I-]	AEVHEVMUTMXZGN-UHFFFAOYSA-M
DG56776	Picramnioside B	387184	"Picramnioside B; NSC680719; NSC680720; Picramnioside C; CHEMBL1967033; NSC-680719; NSC-680720; NCI60_028771; NCI60_028772; [6-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-3,4,5-trihydroxy-tetrahydropyran-2-yl] acetate; 1-O-Acetyl-5-(4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydro-9-anthracenyl)pentopyranose"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680720	.	.	.	.	446.4	C22H22O10	174	715	0	32	6	10	4	"InChI=1S/C22H22O10/c1-8(24)31-22-20(30)18(28)19(29)21(32-22)14-10-3-2-4-12(25)15(10)17(27)16-11(14)5-9(7-23)6-13(16)26/h2-6,14,18-23,25-26,28-30H,7H2,1H3"	CC(=O)OC1C(C(C(C(O1)C2C3=C(C(=CC=C3)O)C(=O)C4=C2C=C(C=C4O)CO)O)O)O	WLMRFFFLFIPZEO-UHFFFAOYSA-N
DG56777	"2,5,9,12-Tetrathiabicyclo[11.4.0]heptadeca-1(13),14,16-triene-15,16-dicarbonitrile"	387185	"NSC680721; CHEMBL1972354; NSC-680721; 2,3,6,7,9,10-Hexahydro-5H-1,4,8,11-benzotetrathiacyclotridecine-13,14-dicarbonitrile; 2,5,9,12-tetrathiabicyclo[11.4.0]heptadeca-1(13),14,16-triene-15,16-dicarbonitrile; NCI60_028773; 5H-1,8,11-Benzotetrathiacyclotridecin- 13,14-dicarbonitrile, 2,3,6,7,9,10-hexahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680721	.	.	.	.	352.6	C15H16N2S4	149	372	3.8	21	0	6	0	"InChI=1S/C15H16N2S4/c16-10-12-8-14-15(9-13(12)11-17)21-7-5-19-3-1-2-18-4-6-20-14/h8-9H,1-7H2"	C1CSCCSC2=C(C=C(C(=C2)C#N)C#N)SCCSC1	MWDZYSHIBZKMKC-UHFFFAOYSA-N
DG56778	"2,3,6,7,9,10-Hexahydro-5H,13H-[1,4,7,10]tetrathiacyclotridecino[5,6-f]isoindole-13,15(14H)-diimine"	387186	"NSC680722; [ ]diimine; CHEMBL1970656; ZINC6499928; NSC-680722; 2,3,6,7,9,10-Hexahydro-5H,13H-[1,4,7,10]tetrathiacyclotridecino[5,6-f]isoindole-13,15(14H)-diimine; NCI60_028774"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680722	.	.	.	.	369.6	C15H19N3S4	163	429	2.9	22	2	5	0	"InChI=1S/C15H19N3S4/c16-14-10-8-12-13(9-11(10)15(17)18-14)22-7-5-20-3-1-2-19-4-6-21-12/h8-9H,1-7H2,(H3,16,17,18)"	C1CSCCSC2=C(C=C3C(=C2)C(=NC3=N)N)SCCSC1	IIZQCRSULFFRRD-UHFFFAOYSA-N
DG56779	"5-(2,4-Dimethoxy-5-pyrimidinyl)-1-penten-4-yn-3-one"	387188	"NSC680728; 5-(2,4-Dimethoxy-5-pyrimidinyl)-1-penten-4-yn-3-one; 5-(2,4-dimethoxypyrimidin-5-yl)pent-1-en-4-yn-3-one; CHEMBL1998104; NSC-680728; NCI60_028776; 1-Penten-4-yn-3-one,4-dimethoxypyrimidin-5-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680728	.	.	.	.	218.21	C11H10N2O3	61.3	329	1.7	16	0	5	4	"InChI=1S/C11H10N2O3/c1-4-9(14)6-5-8-7-12-11(16-3)13-10(8)15-2/h4,7H,1H2,2-3H3"	COC1=NC(=NC=C1C#CC(=O)C=C)OC	MPVPQMUPIYEGQL-UHFFFAOYSA-N
DG56780	"11-(2-Dimethylaminoethyl)pyrido[2,3-b]acridine-5,12-dione"	387193	"NSC680734; NCIChal_000026; NCIMech_000845; Neuro_000415; CHEMBL185897; SCHEMBL13856938; 11-(2-dimethylaminoethyl)pyrido[2,3-b]acridine-5,12-dione; ZINC1857523; CCG-35843; CCG-36389; NSC-680734; NCI60_028779; Pyrido[2,12-dione, 11-[2-(dimethylamino)ethyl]-; 11-[2-(Dimethylamino)ethyl]-1,6-diazanaphthacene-5,12-dione; Pyrido[2,3-b]acridine-5,12-dione, 11-[2-(dimethylamino)ethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680734	.	.	.	.	331.4	C20H17N3O2	63.2	535	3	25	0	5	3	"InChI=1S/C20H17N3O2/c1-23(2)11-9-13-12-6-3-4-8-15(12)22-18-16(13)20(25)17-14(19(18)24)7-5-10-21-17/h3-8,10H,9,11H2,1-2H3"	CN(C)CCC1=C2C(=NC3=CC=CC=C31)C(=O)C4=C(C2=O)N=CC=C4	CFHWMIRGIMFRIH-UHFFFAOYSA-N
DG56781	"6-Bromo-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one"	387194	NSC680735; CHEMBL124546; SCHEMBL6846906; ZINC1857525; NSC-680735; NCI60_028780	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680735	.	.	.	.	362.2	C18H8BrN3O	55.7	501	3.5	23	0	4	0	InChI=1S/C18H8BrN3O/c19-9-3-4-13-12(8-9)10-5-7-21-16-14(10)17(22-13)18(23)11-2-1-6-20-15(11)16/h1-8H	C1=CC2=C(C3=NC=CC4=C5C=C(C=CC5=NC(=C43)C2=O)Br)N=C1	IEMDEAMHQYKMCM-UHFFFAOYSA-N
DG56782	2-Phenyl-1-benzothiophen-3-ol	387196	2-phenyl-1-benzothiophen-3-ol; NSC680738; 2-phenylbenzothiophen-3-one; SCHEMBL7503063; CHEMBL1980625; 2-phenyl-1-benzothiophen-3-one; 2-phenyl-benzo[b]thiophen-3-ol; BDBM46696; cid_4617895; DTXSID40327728; AKOS005166901; NSC-680738; 67447-43-2; NCI60_028781	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680738	.	.	.	.	226.3	C14H10OS	48.5	237	4.2	16	1	2	1	"InChI=1S/C14H10OS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9,15H"	C1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)O	RZJLZIHCBJUJJI-UHFFFAOYSA-N
DG56783	(2-Phenyl-1-benzothiophen-3-yl) acetate	387197	NSC680739; Maybridge3_002848; CHEMBL2001960; HMS1439B10; ZINC161483; CCG-41290; MCULE-8086062284; NSC-680739; IDI1_014235; NCI60_028782; SR-01000631379-1; BRD-K67871410-001-01-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680739	.	.	.	.	268.3	C16H12O2S	54.5	325	4.4	19	0	3	3	"InChI=1S/C16H12O2S/c1-11(17)18-15-13-9-5-6-10-14(13)19-16(15)12-7-3-2-4-8-12/h2-10H,1H3"	CC(=O)OC1=C(SC2=CC=CC=C21)C3=CC=CC=C3	FEMWRJGQNQNJHP-UHFFFAOYSA-N
DG56784	"1-Isopropyl-2-methylpropyl 4-((2,5-dihydroxybenzyl)amino)benzoate"	387217	"NSC680779; CHEMBL1985346; ZINC1857547; 1-Isopropyl-2-methylpropyl 4-((2,5-dihydroxybenzyl)amino)benzoate; NSC-680779; NCI60_028805; (1-isopropyl-2-methyl-propyl) 4-[(2,5-dihydroxyphenyl)methylamino]benzoate; Benzoic acid,5-dihydroxyphenyl)methyl]amino]-, 2,4-dimethyl-3-pentanyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680779	.	.	.	.	357.4	C21H27NO4	78.8	424	5.3	26	3	5	8	"InChI=1S/C21H27NO4/c1-13(2)20(14(3)4)26-21(25)15-5-7-17(8-6-15)22-12-16-11-18(23)9-10-19(16)24/h5-11,13-14,20,22-24H,12H2,1-4H3"	CC(C)C(C(C)C)OC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O	KUABINSNUDJEPW-UHFFFAOYSA-N
DG56785	"1-Phenyl-4-methyl-8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline"	387226	"NSC680788; CHEMBL1983678; ZINC344247; NSC-680788; NCI60_028814; 1-Phenyl-4-methyl-8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680788	.	.	.	.	294.8	C18H15ClN2	16.1	368	4.9	21	0	2	1	"InChI=1S/C18H15ClN2/c1-12-15-9-10-21(14-5-3-2-4-6-14)18(15)16-11-13(19)7-8-17(16)20-12/h2-8,11H,9-10H2,1H3"	CC1=C2CCN(C2=C3C=C(C=CC3=N1)Cl)C4=CC=CC=C4	MGEIQNHPDIPDNE-UHFFFAOYSA-N
DG56786	"1,3,9-Trimethylpyrimido[4,5-b]indole-2,4-dione"	387234	"NSC680809; 1,3,9-trimethylpyrimido[4,5-b]indole-2,4-dione; CHEMBL1969800; 1,3,9-Trimethyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione; NSC-680809; NCI60_028822"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680809	.	.	.	.	243.26	C13H13N3O2	45.6	398	1.2	18	0	2	0	"InChI=1S/C13H13N3O2/c1-14-9-7-5-4-6-8(9)10-11(14)15(2)13(18)16(3)12(10)17/h4-7H,1-3H3"	CN1C2=CC=CC=C2C3=C1N(C(=O)N(C3=O)C)C	OAYVAYZBLXIWAA-UHFFFAOYSA-N
DG56787	"6-Methyl-9H-pyrimido[4,5-b]indole-2,4-diol"	387242	"NSC680817; 6-Methyl-9H-pyrimido[4,5-b]indole-2,4-diol; CHEMBL2000935; NSC-680817; NCI60_028830"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680817	.	.	.	.	215.21	C11H9N3O2	74	344	1.3	16	3	2	0	"InChI=1S/C11H9N3O2/c1-5-2-3-7-6(4-5)8-9(12-7)13-11(16)14-10(8)15/h2-4H,1H3,(H3,12,13,14,15,16)"	CC1=CC2=C(C=C1)NC3=C2C(=O)NC(=O)N3	HSCXFKFIMPYGMP-UHFFFAOYSA-N
DG56788	"2-Imino-3a,5-bis((trityloxy)methyl)hexahydrofuro[2,3-d][1,3]oxazol-6-ol"	387255	"NSC680836; CHEMBL1969278; NSC-680836; NCI60_028844; 2-Imino-3a,5-bis((trityloxy)methyl)hexahydrofuro[2,3-d][1,3]oxazol-6-ol; 2-imino-3a,5-bis(trityloxymethyl)-3,5,6,6a-tetrahydrofuro[2,3-d]oxazol-6-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680836	.	.	.	.	688.8	C45H40N2O5	95.5	1050	7.4	52	2	6	12	"InChI=1S/C45H40N2O5/c46-42-47-43(32-50-45(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38)41(51-42)40(48)39(52-43)31-49-44(33-19-7-1-8-20-33,34-21-9-2-10-22-34)35-23-11-3-12-24-35/h1-30,39-41,48H,31-32H2,(H2,46,47)"	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4C(C5C(O4)(N=C(O5)N)COC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)O	AAMIHYIREHJGBF-UHFFFAOYSA-N
DG56789	NSC680837	387256	"7a-(Hydroxy(methoxy)methyl)-2,2,4,4-tetraisopropyl-6a,7a,13a,13b-tetrahydro-6H,11H-[1,3,5,2,4]trioxadisilocino[6'',7'':4',5']furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-11-one; NSC680837; CHEMBL1998844; NSC-680837; 7a-(Hydroxy(methoxy)methyl)-2,2,4,4-tetraisopropyl-6a,7a,13a,13b-tetrahydro-6H,11H-[1,3,5,2,4]trioxadisilocino[6'',7'':4',5']furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-11-one; NCI60_028845; [hydroxy(methoxy)methyl]-tetraisopropyl-[ ]one; 6H,3,5,2,4-Trioxadisilocino[6'',7'':4',5']furo [2',3':4,5]oxazolo[3,2-a]pyrimidin-11-one, 6a,7a,13a,13b-tetrahydro- 7a-(.alpha.-hydroxy-.alpha.-methoxymethyl)- 2,2,4,4-tetrakis(methylethyl)-, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680837	.	.	.	.	528.7	C23H40N2O8Si2	108	879	.	35	1	8	6	"InChI=1S/C23H40N2O8Si2/c1-13(2)34(14(3)4)29-12-17-19(32-35(33-34,15(5)6)16(7)8)20-23(31-17,21(27)28-9)25-11-10-18(26)24-22(25)30-20/h10-11,13-17,19-21,27H,12H2,1-9H3"	CC(C)[Si]1(OCC2C(C3C(O2)(N4C=CC(=O)N=C4O3)C(O)OC)O[Si](O1)(C(C)C)C(C)C)C(C)C	SDNSUZRVBFXLON-UHFFFAOYSA-N
DG56790	NSC680838	387257	"Methyl 2,2,4,4-tetraisopropyl-11-oxo-6,6a,13a,13b-tetrahydro-7aH,11H-[1,3,5,2,4]trioxadisilocino[6'',7'':4',5']furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidine-7a-carboxylate; NSC680838; CHEMBL2007465; NSC-680838; methyl tetraisopropyl(oxo)[ ]carboxylate; Methyl 2,2,4,4-tetraisopropyl-11-oxo-6,6a,13a,13b-tetrahydro-7aH,11H-[1,3,5,2,4]trioxadisilocino[6'',7'':4',5']furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidine-7a-carboxylate; NCI60_028846"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680838	.	.	.	.	526.7	C23H38N2O8Si2	105	921	.	35	0	8	6	"InChI=1S/C23H38N2O8Si2/c1-13(2)34(14(3)4)29-12-17-19(32-35(33-34,15(5)6)16(7)8)20-23(31-17,21(27)28-9)25-11-10-18(26)24-22(25)30-20/h10-11,13-17,19-20H,12H2,1-9H3"	CC(C)[Si]1(OCC2C(C3C(O2)(N4C=CC(=O)N=C4O3)C(=O)OC)O[Si](O1)(C(C)C)C(C)C)C(C)C	ATDRPSWPFAYZCR-UHFFFAOYSA-N
DG56791	"1-[4-Hydroxy-5-(hydroxymethyl)-3-phenylselanyl-tetrahydrofuran-2-yl]pyrimidine-2,4-dione"	387260	"NSC680841; CHEMBL2004280; NSC-680841; NCI60_028849; 2,4(1H,3H)-Pyrimidinedione, 1-(2-Se-phenyl-2-selenopentofuranosyl)-; 1-[4-hydroxy-5-(hydroxymethyl)-3-phenylselanyl-tetrahydrofuran-2-yl]pyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680841	.	.	.	.	383.27	C15H16N2O5Se	99.1	494	.	23	3	5	4	"InChI=1S/C15H16N2O5Se/c18-8-10-12(20)13(23-9-4-2-1-3-5-9)14(22-10)17-7-6-11(19)16-15(17)21/h1-7,10,12-14,18,20H,8H2,(H,16,19,21)"	C1=CC=C(C=C1)[Se]C2C(C(OC2N3C=CC(=O)NC3=O)CO)O	FDVQDKKPZOYSHN-UHFFFAOYSA-N
DG56792	"3-ethyl-4-hydroxy-1H-1,2,4-triazol-5-one"	387261	"NSC680857; 3-ethyl-4-hydroxy-1H-1,2,4-triazol-5-one; SCHEMBL9574543; CHEMBL1990845; 5-Ethyl-4-hydroxy-2,4-dihydro-3H-1,2,4-triazol-3-one; NSC-680857; NCI60_028850"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680857	.	.	.	.	129.12	C4H7N3O2	64.9	165	-0.6	9	2	3	1	"InChI=1S/C4H7N3O2/c1-2-3-5-6-4(8)7(3)9/h9H,2H2,1H3,(H,6,8)"	CCC1=NNC(=O)N1O	DLKVZLSWJCDUCC-UHFFFAOYSA-N
DG56793	2-Amino-3-[(2-amino-3-oxo-3-prop-2-ynoxypropyl)disulfanyl]propanoic acid	387277	NSC680928; CHEMBL1974468; NSC-680928; NCI60_028863	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680928	.	.	.	.	278.4	C9H14N2O4S2	166	315	-3.6	17	3	8	9	"InChI=1S/C9H14N2O4S2/c1-2-3-15-9(14)7(11)5-17-16-4-6(10)8(12)13/h1,6-7H,3-5,10-11H2,(H,12,13)"	C#CCOC(=O)C(CSSCC(C(=O)O)N)N	CJEMQWXFMIWIHU-UHFFFAOYSA-N
DG56794	"5,17,17-Trimethyl-12,16-dioxa-7-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione"	387284	"NSC680935; CHEMBL1989894; NSC-680935; NCI60_028870; 2H-Furo[3',4]benzopyrano[6,7-b]pyridine- 2,6,11-trione, 2,3-dihydro-5,5,8-trimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680935	.	.	.	.	313.3	C17H15NO5	82.6	649	0.6	23	0	6	0	"InChI=1S/C17H15NO5/c1-7-4-8-13(18-6-7)15(21)11-12(14(8)20)17(2,3)23-9-5-10(19)22-16(9)11/h4,6,9,16H,5H2,1-3H3"	CC1=CC2=C(C(=O)C3=C(C2=O)C(OC4C3OC(=O)C4)(C)C)N=C1	VYFWHOTYQKJMNE-UHFFFAOYSA-N
DG56795	"6,17,17-Trimethyl-5-phenylmethoxy-12,16-dioxa-7-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione"	387285	NSC680936; CHEMBL1984759; NSC-680936; NCI60_028871	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680936	.	.	.	.	419.4	C24H21NO6	91.8	826	2.1	31	0	7	3	"InChI=1S/C24H21NO6/c1-12-15(29-11-13-7-5-4-6-8-13)9-14-20(25-12)22(28)18-19(21(14)27)24(2,3)31-16-10-17(26)30-23(16)18/h4-9,16,23H,10-11H2,1-3H3"	CC1=C(C=C2C(=N1)C(=O)C3=C(C2=O)C(OC4C3OC(=O)C4)(C)C)OCC5=CC=CC=C5	ZJZKBFWBMRASKX-UHFFFAOYSA-N
DG56796	"1-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-imino-6-(4-phenylphenyl)pteridin-2-one"	387287	"NSC680981; CHEMBL2002354; NSC-680981; NCI60_028873; 2(1H)-Pteridinone, 6-[1,1'-biphenyl]-4-yl-3,4-dihydro-4-imino-1-pentofuranosyl-; 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-imino-6-(4-phenylphenyl)pteridin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680981	.	.	.	.	447.4	C23H21N5O5	154	739	0.6	33	4	7	4	"InChI=1S/C23H21N5O5/c24-20-17-21(28(23(32)27-20)22-19(31)18(30)16(11-29)33-22)25-10-15(26-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-10,16,18-19,22,29-31H,11H2,(H2,24,27,32)"	C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=C4C(=N3)C(=NC(=O)N4C5C(C(C(O5)CO)O)O)N	ATCVFVUEODILGB-UHFFFAOYSA-N
DG56797	N-[1-(dimethylamino)propan-2-yl]-6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide	387305	NSC680998; CHEMBL1981266; NSC-680998; NCI60_028890	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680998	.	.	.	.	351.4	C20H25N5O	63	485	2.1	26	1	4	5	"InChI=1S/C20H25N5O/c1-13-6-7-17-15(10-13)16(20(26)22-14(2)12-24(3)4)11-18(23-17)19-21-8-9-25(19)5/h6-11,14H,12H2,1-5H3,(H,22,26)"	CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC(C)CN(C)C)C3=NC=CN3C	UFEFOKVSSLYKCY-UHFFFAOYSA-N
DG56798	N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide	387306	NSC680999; CHEMBL1974043; NSC-680999; NCI60_028891	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680999	.	.	.	.	407.6	C24H33N5O	63	540	3.5	30	1	4	9	"InChI=1S/C24H33N5O/c1-6-29(7-2)13-8-9-18(4)26-24(30)20-16-22(23-25-12-14-28(23)5)27-21-11-10-17(3)15-19(20)21/h10-12,14-16,18H,6-9,13H2,1-5H3,(H,26,30)"	CCN(CC)CCCC(C)NC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=NC=CN3C	YFLQOQBVEIBODJ-UHFFFAOYSA-N
DG56799	"2-[4-(4-Oxochromen-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one"	387313	"NSC681026; CHEMBL1976653; ZINC1857683; 2-[4-(4-oxochromen-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one; NSC-681026; 2-[4-(4-Oxo-4H-benzopyran-2-yl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one; NCI60_028898"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681026	.	.	.	.	374.4	C21H18N4O3	65.4	846	1.9	28	0	6	2	"InChI=1S/C21H18N4O3/c26-16-13-21(28-17-6-2-1-5-15(16)17)24-11-9-23(10-12-24)19-14-20(27)25-8-4-3-7-18(25)22-19/h1-8,13-14H,9-12H2"	C1CN(CCN1C2=CC(=O)N3C=CC=CC3=N2)C4=CC(=O)C5=CC=CC=C5O4	FSBZDDLUXFKIGG-UHFFFAOYSA-N
DG56800	"7-(2-(Ethylsulfonyl)ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione"	387314	"NSC681027; CHEMBL2002279; 7-(2-(Ethylsulfonyl)ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione; NSC-681027; NCI60_028899; 7-(2-ethylsulfonylethyl)-1,3-dimethyl-purine-2,6-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681027	.	.	.	.	300.34	C11H16N4O4S	101	515	-0.8	20	0	5	4	"InChI=1S/C11H16N4O4S/c1-4-20(18,19)6-5-15-7-12-9-8(15)10(16)14(3)11(17)13(9)2/h7H,4-6H2,1-3H3"	CCS(=O)(=O)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C	PPHIYXOWYYVOQF-UHFFFAOYSA-N
DG56801	"2-Ethoxy-6alpha,3,5(10)-trien-3,17beta-diol"	387324	"NSC681069; CHEMBL1992095; NSC-681069; 2-Ethoxy-6.alpha.,3,5(10)-trien-3,17.beta.-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681069	.	.	.	.	367.9	C20H30ClNO3	75.7	472	.	25	4	4	2	"InChI=1S/C20H29NO3.ClH/c1-3-24-18-10-12-11-6-7-20(2)15(4-5-19(20)23)13(11)8-16(21)14(12)9-17(18)22;/h9-11,13,15-16,19,22-23H,3-8,21H2,1-2H3;1H/t11-,13-,15+,16 ,19+,20+;/m1./s1"	CCOC1=C(C=C2C(C[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4O)C)N)O.Cl	IPYMZOJNZHSHFF-ABAQYMTESA-N
DG56802	"4,8-Dibromobenzo[1,2-c:4,5-c']bis([1,2,5]thiadiazole)"	387337	"165617-59-4; 4,8-Dibromobenzo[1,2-c:4,5-c']bis([1,2,5]thiadiazole); NSC681081; MFCD24539447; 2,8-dibromo-5lambda4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene; 4,7-dibroMobenzo[1,2-c:4,5-c/']bis([1,2,5]thiadiazole); 4,7-dibromobenzo[1,2-c:4,5-c']bis([1,2,5]thiadiazole); YSWG456; CHEMBL1994035; SCHEMBL11980228; SCHEMBL16546599; ZINC100177566; DS-8657; NSC-681081; NCI60_028916; SY100686; DB-123163; C73199; A882387; 4,7-Dibromobenzo[1,2-c :4,5-c' ]bis([1,2,5]thiadiazole); 4,8-dibromo-1H,5H-benzo[1,2-c:4,5-c']bis([1,2,5] thiadiazole); 4,8-Dibromo-2-dehydro-2-thia(IV)-6-thia-1,3,5,7-tetraaza-s-indacene; 4,8-Dibromobenzo[1,2-c:4,5-c inverted exclamation mark ]bis([1,2,5]thiadiazole)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681081	.	.	.	.	352	C6Br2N4S2	79.7	264	4.2	14	0	6	0	InChI=1S/C6Br2N4S2/c7-1-3-5(11-13-9-3)2(8)6-4(1)10-14-12-6	C12=C(C3=NSN=C3C(=C1N=S=N2)Br)Br	JIHWVOHZFVWBMK-UHFFFAOYSA-N
DG56803	"Benzyl 2-(2-furyl)-2-(2-oxo-4,5-diphenyl-oxazolidin-3-yl)propanoate"	387338	"NSC681082; CHEMBL1980452; NSC-681082; NCI60_028917; benzyl 2-(2-furyl)-2-(2-oxo-4,5-diphenyl-oxazolidin-3-yl)propanoate; 2-Furanacetic acid,5-diphenyl-2-oxo- 3-oxazolidinyl)-.alpha.-methyl-, phenylmethyl ester; 3-Oxazolidineacetic acid, a-2-furanyl-a-methyl-2-oxo-4,5-diphenyl-, phenylmethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681082	.	.	.	.	467.5	C29H25NO5	69	725	5.4	35	0	5	8	"InChI=1S/C29H25NO5/c1-29(24-18-11-19-33-24,27(31)34-20-21-12-5-2-6-13-21)30-25(22-14-7-3-8-15-22)26(35-28(30)32)23-16-9-4-10-17-23/h2-19,25-26H,20H2,1H3"	CC(C1=CC=CO1)(C(=O)OCC2=CC=CC=C2)N3C(C(OC3=O)C4=CC=CC=C4)C5=CC=CC=C5	MMAQOLXIJOLRGN-UHFFFAOYSA-N
DG56804	"1,7-Bis((4-methylphenyl)sulfonyl)-1,4,7,10-tetraazacyclododecane"	387339	"NSC681083; SCHEMBL9122576; CHEMBL1998934; 1,7-Bis((4-methylphenyl)sulfonyl)-1,4,7,10-tetraazacyclododecane; NSC-681083; NCI60_028918; 1,7-Ditosyl-1,4,7,10-tetraazacyclododecane; 1,7-bis(p-tolylsulfonyl)-1,4,7,10-tetrazacyclododecane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681083	.	.	.	.	480.6	C22H32N4O4S2	116	685	1.6	32	2	8	4	"InChI=1S/C22H32N4O4S2/c1-19-3-7-21(8-4-19)31(27,28)25-15-11-23-13-17-26(18-14-24-12-16-25)32(29,30)22-9-5-20(2)6-10-22/h3-10,23-24H,11-18H2,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CCNCC2)S(=O)(=O)C3=CC=C(C=C3)C	OOWITPYJNRDUQG-UHFFFAOYSA-N
DG56805	"10-(4-Tert-butylphenyl)-3-[2-(hydroxymethyl)phenyl]pyrimido[4,5-b]quinoline-2,4-dione"	387343	"NSC681087; 10-(4-tert-Butylphenyl)-3-(2-(hydroxymethyl)phenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione; 10-(4-tert-Butylphenyl)-3-[2-(hydroxymethyl)phenyl]pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione; CHEMBL1986087; ZINC1857714; NSC-681087; 10-(4-tert-butylphenyl)-3-[2-(hydroxymethyl)phenyl]pyrimido[4,5-b]quinoline-2,4-dione; NCI60_028922"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681087	.	.	.	.	451.5	C28H25N3O3	73.2	865	5	34	1	3	4	"InChI=1S/C28H25N3O3/c1-28(2,3)20-12-14-21(15-13-20)30-23-10-6-4-8-18(23)16-22-25(30)29-27(34)31(26(22)33)24-11-7-5-9-19(24)17-32/h4-16,32H,17H2,1-3H3"	CC(C)(C)C1=CC=C(C=C1)N2C3=CC=CC=C3C=C4C2=NC(=O)N(C4=O)C5=CC=CC=C5CO	QHQVMGDZIBWUBJ-UHFFFAOYSA-N
DG56806	"[7-(Phosphonomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methylphosphonic acid"	387351	"NSC681104; SCHEMBL336756; CHEMBL1740537; ZINC19367588; [7-(phosphonomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methylphosphonic acid; (7-(Phosphonomethyl)-1,4,7,10-tetraazacyclododecan-1-yl)methylphosphonic acid; NCI60_028930; 1,7,-bis(phosphonomethyl)-1,4,7,10-tetraazacyclododecane; (1,4,7,10-Tetraazacyclododecane-1,7-diyl)bis(methylene)bisphosphonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681104	.	.	.	.	360.28	C10H26N4O6P2	146	364	-8.8	22	6	10	4	"InChI=1S/C10H26N4O6P2/c15-21(16,17)9-13-5-1-11-2-6-14(10-22(18,19)20)8-4-12-3-7-13/h11-12H,1-10H2,(H2,15,16,17)(H2,18,19,20)"	C1CN(CCNCCN(CCN1)CP(=O)(O)O)CP(=O)(O)O	IQJMUBVOUOHXRP-UHFFFAOYSA-N
DG56807	"Acetic acid,4,7,10-tetraazacyclododecane-1,7-diyl]bis"	387352	"MLS002702815; NSC681105; CHEMBL1868446; NSC-681105; SMR001566644; Acetic acid,4,7,10-tetraazacyclododecane-1,7-diyl]bis; Acetic acid, [1,4,7,10-tetraazacyclododecane-1,7-diyl]bis"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681105	.	.	.	.	324.8	C12H25ClN4O4	105	272	.	21	5	8	4	"InChI=1S/C12H24N4O4.ClH/c17-11(18)9-15-5-1-13-2-6-16(10-12(19)20)8-4-14-3-7-15;/h13-14H,1-10H2,(H,17,18)(H,19,20);1H"	C1CN(CCNCCN(CCN1)CC(=O)O)CC(=O)O.Cl	QUUXVEDAFNNDNI-UHFFFAOYSA-N
DG56808	"N,N-Bis(1H-benzimidazol-2-ylmethyl)-2-phenylethanamine"	387361	"NSC681113; CHEMBL2002511; N,N-Bis(1H-benzimidazol-2-ylmethyl)-2-phenylethanamine; SCHEMBL20677810; ZINC13217391; NSC-681113; NCI60_028939; N,N-bis(1H-benzimidazol-2-ylmethyl)-2-phenyl-ethanamine; N,N-Bis(1H-benzimidazol-2-ylmethyl)-N-(2-phenylethyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681113	.	.	.	.	381.5	C24H23N5	60.6	474	4.4	29	2	3	7	"InChI=1S/C24H23N5/c1-2-8-18(9-3-1)14-15-29(16-23-25-19-10-4-5-11-20(19)26-23)17-24-27-21-12-6-7-13-22(21)28-24/h1-13H,14-17H2,(H,25,26)(H,27,28)"	C1=CC=C(C=C1)CCN(CC2=NC3=CC=CC=C3N2)CC4=NC5=CC=CC=C5N4	IQQSGUWPUMPOIQ-UHFFFAOYSA-N
DG56809	"5-Methylbenzimidazo[1,2-a][1,8]naphthyridin-2-amine"	387362	"NSC681114; 5-Methylbenzimidazo[1,2-a][1,8]naphthyridin-2-amine; 5-methylbenzimidazolo[1,2-a][1,8]naphthyridin-2-amine; CHEMBL2001048; NSC-681114; NCI60_028940; 5-Methylbenzimidazo[1,2-a][1,8]naphthyridin-2-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681114	.	.	.	.	248.28	C15H12N4	56.2	347	3.8	19	1	3	0	"InChI=1S/C15H12N4/c1-9-8-14-17-11-4-2-3-5-12(11)19(14)15-10(9)6-7-13(16)18-15/h2-8H,1H3,(H2,16,18)"	CC1=CC2=NC3=CC=CC=C3N2C4=C1C=CC(=N4)N	YZMMEEUYSYZYLT-UHFFFAOYSA-N
DG56810	"4-Methylbenzimidazo[1,2-a][1,8]naphthyridine"	387363	"NSC681115; 4-Methylbenzimidazo[1,2-a][1,8]naphthyridine; 4-methylbenzimidazolo[1,2-a][1,8]naphthyridine; CHEMBL1965487; NSC-681115; NCI60_028941"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681115	.	.	.	.	233.27	C15H11N3	30.2	319	4.2	18	0	2	0	"InChI=1S/C15H11N3/c1-10-8-9-16-15-11(10)6-7-14-17-12-4-2-3-5-13(12)18(14)15/h2-9H,1H3"	CC1=C2C=CC3=NC4=CC=CC=C4N3C2=NC=C1	ANBUTTKVVAWVHL-UHFFFAOYSA-N
DG56811	4-((3-Phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methoxy)benzoic acid	387370	NSC681122; CHEMBL1993848; 4-((3-Phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methoxy)benzoic acid; 4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzoic acid; NSC-681122; NCI60_028948	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681122	.	.	.	.	424.4	C23H15F3N2O3	72.3	603	4.8	31	1	8	5	"InChI=1S/C23H15F3N2O3/c24-23(25,26)16-8-11-18-19(12-16)27-20(21(28-18)14-4-2-1-3-5-14)13-31-17-9-6-15(7-10-17)22(29)30/h1-12H,13H2,(H,29,30)"	C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2COC4=CC=C(C=C4)C(=O)O	BLQPLDUJPUDTFQ-UHFFFAOYSA-N
DG56812	"4-(7-Amino-5-phenyl[1,3]oxazolo[5,4-d]pyrimidin-2-yl)benzonitrile"	387395	"NSC681143; CHEMBL1988435; 4-(7-Amino-5-phenyl[1,3]oxazolo[5,4-d]pyrimidin-2-yl)benzonitrile; NSC-681143; NCI60_028967; 4-(7-amino-5-phenyl-oxazolo[5,4-d]pyrimidin-2-yl)benzonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681143	.	.	.	.	313.3	C18H11N5O	102	477	3.1	24	1	6	2	"InChI=1S/C18H11N5O/c19-10-11-6-8-13(9-7-11)17-21-14-15(20)22-16(23-18(14)24-17)12-4-2-1-3-5-12/h1-9H,(H2,20,22,23)"	C1=CC=C(C=C1)C2=NC(=C3C(=N2)OC(=N3)C4=CC=C(C=C4)C#N)N	PJYHAKBFVRVIRZ-UHFFFAOYSA-N
DG56813	Antcin B	387397	"Antcin B; NSC681145; CHEMBL1966186; SCHEMBL15484152; NSC-681145; NCI60_028969; 4.alpha.-Methylergosta-8,7,11-trion-26-oic acid; Q15720560"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681145	.	.	.	.	468.6	C29H40O5	88.5	989	5.3	34	1	5	6	"InChI=1S/C29H40O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21H,1,7-14H2,2-6H3,(H,33,34)/t16 ,17 ,18-,19 ,20 ,21 ,28 ,29 /m0/s1"	C[C@H]1C2CC(=O)C3=C(C2(CCC1=O)C)C(=O)CC4(C3CCC4C(C)CCC(=C)C(C)C(=O)O)C	DVORYMAGXQGBQK-BQPMOXFZSA-N
DG56814	"1-Adamantyl 4-[(3,6-dioxocyclohexa-1,4-dien-1-yl)methylamino]benzoate"	387401	"NSC681151; SCHEMBL414361; CHEMBL1974083; ZINC73258736; 1-Adamantyl 4-(((3,6-dioxo-1,4-cyclohexadien-1-yl)methyl)amino)benzoate; 1-adamantyl 4-[(3,6-dioxocyclohexa-1,4-dien-1-yl)methylamino]benzoate; NSC-681151; NCI60_028974; Benzoic acid,6-dioxo-1,4-cyclohexadienyl)methyl] amino]-, 1-adamantyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681151	.	.	.	.	391.5	C24H25NO4	72.5	731	4	29	1	5	6	"InChI=1S/C24H25NO4/c26-21-5-6-22(27)19(10-21)14-25-20-3-1-18(2-4-20)23(28)29-24-11-15-7-16(12-24)9-17(8-15)13-24/h1-6,10,15-17,25H,7-9,11-14H2"	C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)NCC5=CC(=O)C=CC5=O	TXXUWUFMSLQMBL-UHFFFAOYSA-N
DG56815	"Methyl 4-(2-(2,5-dihydroxyphenyl)ethyl)benzoate"	387402	"NSC681152; MLS002702936; Methyl 4-(2-(2,5-dihydroxyphenyl)ethyl)benzoate; NSC-681152; methyl 4-[2-(2,5-dihydroxyphenyl)ethyl]benzoate; NCIStruc1_000836; NCIStruc2_000995; SCHEMBL6115244; CHEMBL1491288; ZINC1857793; CCG-36612; NCGC00014986; NCI681152; NCGC00014986-02; NCGC00098086-01; NCI60_028975; SMR001566751; Benzoic acid,5-dihydroxyphenyl)ethyl]-, methyl ester; Benzoic acid, 4-[2-(2,5-dihydroxyphenyl)ethyl]-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681152	.	.	.	.	272.29	C16H16O4	66.8	310	3.3	20	2	4	5	"InChI=1S/C16H16O4/c1-20-16(19)12-5-2-11(3-6-12)4-7-13-10-14(17)8-9-15(13)18/h2-3,5-6,8-10,17-18H,4,7H2,1H3"	COC(=O)C1=CC=C(C=C1)CCC2=C(C=CC(=C2)O)O	RNNJTHBMRWCVPA-UHFFFAOYSA-N
DG56816	"8-Chloro-5,5-dioxo-imidazo[1,2-b][1,4,2]benzodithiazine-7-carbonitrile"	387415	"NSC681163; CHEMBL1999647; ZINC5991256; NSC-681163; 8-chloro-5,5-dioxo-imidazo[1,2-b][1,4,2]benzodithiazine-7-carbonitrile; 7-Chloro-4,4-dioxobenzo[e]imidazolo[1,2-b]1,4,2-dithiazaperhydroine-6-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681163	.	.	.	.	297.7	C10H4ClN3O2S2	109	497	2.1	18	0	5	0	"InChI=1S/C10H4ClN3O2S2/c11-7-4-8-9(3-6(7)5-12)18(15,16)14-2-1-13-10(14)17-8/h1-4H"	C1=CN2C(=N1)SC3=C(S2(=O)=O)C=C(C(=C3)Cl)C#N	YLSUVYSBUWYBGM-UHFFFAOYSA-N
DG56817	"N-butyl-8-chloro-5,5-dioxo-imidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide"	387416	"NSC681164; CHEMBL1974327; ZINC5983618; NSC-681164; NCI60_028982; N-butyl-8-chloro-5,5-dioxo-imidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide; N-Butyl(7-chloro-4,4-dioxobenzo[e]imidazolo[1,2-b]1,4,2-dithiazaperhydroin-6-yl)carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681164	.	.	.	.	371.9	C14H14ClN3O3S2	115	554	2.9	23	1	5	4	"InChI=1S/C14H14ClN3O3S2/c1-2-3-4-16-13(19)9-7-12-11(8-10(9)15)22-14-17-5-6-18(14)23(12,20)21/h5-8H,2-4H2,1H3,(H,16,19)"	CCCCNC(=O)C1=CC2=C(C=C1Cl)SC3=NC=CN3S2(=O)=O	JTPAIUMWASQFCM-UHFFFAOYSA-N
DG56818	"8-Chloro-N-phenylimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide 5,5-dioxide"	387417	"NSC681165; CHEMBL1969238; NSC-681165; NCI60_028983; 8-chloro-5,5-dioxo-N-phenyl-imidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide; 8-Chloro-N-phenylimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide 5,5-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681165	.	.	.	.	391.9	C16H10ClN3O3S2	115	621	3.2	25	1	5	2	"InChI=1S/C16H10ClN3O3S2/c17-12-9-13-14(25(22,23)20-7-6-18-16(20)24-13)8-11(12)15(21)19-10-4-2-1-3-5-10/h1-9H,(H,19,21)"	C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2Cl)SC4=NC=CN4S3(=O)=O	VYWCMLMXSIBPEU-UHFFFAOYSA-N
DG56819	"8-chloro-N-(4-chlorophenyl)-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide"	387419	NSC681167; CHEMBL2004187; ZINC5983621; NSC-681167; NCI60_028984	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681167	.	.	.	.	426.3	C16H9Cl2N3O3S2	115	652	3.8	26	1	5	2	"InChI=1S/C16H9Cl2N3O3S2/c17-9-1-3-10(4-2-9)20-15(22)11-7-14-13(8-12(11)18)25-16-19-5-6-21(16)26(14,23)24/h1-8H,(H,20,22)"	C1=CC(=CC=C1NC(=O)C2=CC3=C(C=C2Cl)SC4=NC=CN4S3(=O)=O)Cl	CIIDCYJRCLXUIS-UHFFFAOYSA-N
DG56820	1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(pyridin-2-ylamino)urea	387428	NSC681177; CHEMBL1997788; ZINC6244599; NSC-681177; NCI60_028993	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681177	.	.	.	.	386.9	C14H15ClN4O3S2	134	529	3.1	24	3	6	5	"InChI=1S/C14H15ClN4O3S2/c1-9-7-12(11(23-2)8-10(9)15)24(21,22)19-14(20)18-17-13-5-3-4-6-16-13/h3-8H,1-2H3,(H,16,17)(H2,18,19,20)"	CC1=CC(=C(C=C1Cl)SC)S(=O)(=O)NC(=O)NNC2=CC=CC=N2	IAJWVBHMZPFTIF-UHFFFAOYSA-N
DG56821	1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(4-chlorophenyl)urea	387436	NSC681185; CHEMBL1992257; ZINC1857854; NSC-681185; NCI60_029001	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681185	.	.	.	.	405.3	C15H14Cl2N2O3S2	109	533	4.7	24	2	4	4	"InChI=1S/C15H14Cl2N2O3S2/c1-9-7-14(13(23-2)8-12(9)17)24(21,22)19-15(20)18-11-5-3-10(16)4-6-11/h3-8H,1-2H3,(H2,18,19,20)"	CC1=CC(=C(C=C1Cl)SC)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)Cl	STQQHZQEPYBXLF-UHFFFAOYSA-N
DG56822	Unii-rvp7C3xks6	387437	"UNII-RVP7C3XKS6; RVP7C3XKS6; NSC-681226; CHEMBL483868; MLN-273; MG-273; NSC681226; PS-273; NCI60_029002; ((1R)-3-Methyl-1-((2S)-2-((morpholine-4-carbonyl)amino)-3-(naphthalen-1-yl)propanamido)butyl)boronic acid; 179679-47-1; Boronic acid, ((1R)-3-methyl-1-(((2S)-2-((4-morpholinylcarbonyl)amino)-3-(1-naphthalenyl)-1-oxopropyl)amino)butyl)-; Boronic acid, (3-methyl-1-((2-((4-morpholinylcarbonyl)amino)-3-(1-naphthalenyl)-1-oxopropyl)amino)butyl)-, (S-(R*,S*))-; Boronic acid, B-((1R)-3-methyl-1-(((2S)-2-((4-morpholinylcarbonyl)amino)-3-(1-naphthalenyl)-1-oxopropyl)amino)butyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681226	.	.	.	.	441.3	C23H32BN3O5	111	614	.	32	4	5	8	"InChI=1S/C23H32BN3O5/c1-16(2)14-21(24(30)31)26-22(28)20(25-23(29)27-10-12-32-13-11-27)15-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,16,20-21,30-31H,10-15H2,1-2H3,(H,25,29)(H,26,28)/t20-,21-/m0/s1"	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC2=CC=CC=C21)NC(=O)N3CCOCC3)(O)O	MQMHIOPMTAJOHV-SFTDATJTSA-N
DG56823	[(1R)-3-methyl-1-[[(2S)-3-naphthalen-1-yl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]butyl]boronic acid	387439	NSC681228; CHEMBL482657; NSC-681228; NCI60_029004	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681228	.	.	.	.	519.4	C27H30BN3O5S	137	852	.	37	4	7	10	"InChI=1S/C27H30BN3O5S/c1-18(2)16-25(28(33)34)30-27(32)23(17-21-11-5-9-19-8-3-4-13-22(19)21)31-37(35,36)24-14-6-10-20-12-7-15-29-26(20)24/h3-15,18,23,25,31,33-34H,16-17H2,1-2H3,(H,30,32)/t23-,25-/m0/s1"	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC2=CC=CC=C21)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)(O)O	RCTFPTUYPPNJBH-ZCYQVOJMSA-N
DG56824	[(1R)-1-[[(2S)-2-amino-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutyl]boronic acid;hydrochloride	387440	NSC681229; CHEMBL523115; NSC-681229	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681229	.	.	.	.	364.7	C18H26BClN2O3	95.6	406	.	25	5	4	7	"InChI=1S/C18H25BN2O3.ClH/c1-12(2)10-17(19(23)24)21-18(22)16(20)11-14-8-5-7-13-6-3-4-9-15(13)14;/h3-9,12,16-17,23-24H,10-11,20H2,1-2H3,(H,21,22);1H/t16-,17-;/m0./s1"	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC2=CC=CC=C21)N)(O)O.Cl	XNHKOPOMEWQJJQ-QJHJCNPRSA-N
DG56825	N-(4-Morpholine)carbonyl-B-(1-naphthyl)-L-alanine-L-leucine boronic acid	387442	"N-(4-MORPHOLINE)CARBONYL-B-(1-NAPHTHYL)-L-ALANINE-L-LEUCINE BORONIC ACID; NSC681231; Boronic acid, D-(S)-; CHEMBL1234151; DB04732; NSC-681231; NCI60_029006; Q27095470; [(1R)-3-methyl-1-({(2R)-2-[(morpholin-4-ylcarbonyl)amino]-3-naphthalen-1-ylpropanoyl}amino)butyl]boronic acid (non-preferred name)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681231	.	.	.	.	441.3	C23H32BN3O5	111	614	.	32	4	5	8	"InChI=1S/C23H32BN3O5/c1-16(2)14-21(24(30)31)26-22(28)20(25-23(29)27-10-12-32-13-11-27)15-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,16,20-21,30-31H,10-15H2,1-2H3,(H,25,29)(H,26,28)/t20-,21+/m1/s1"	B([C@H](CC(C)C)NC(=O)[C@@H](CC1=CC=CC2=CC=CC=C21)NC(=O)N3CCOCC3)(O)O	MQMHIOPMTAJOHV-RTWAWAEBSA-N
DG56826	"Boronic acid, S-"	387443	"Boronic acid, S-; NSC681234; CHEMBL1964617; NSC-681234; NCI60_029007"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681234	.	.	.	.	313.2	C18H24BNO3	69.6	375	.	23	3	3	7	"InChI=1S/C18H24BNO3/c1-13(2)12-17(19(22)23)20-18(21)11-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13,17,22-23H,10-12H2,1-2H3,(H,20,21)/t17-/m0/s1"	B([C@H](CC(C)C)NC(=O)CCC1=CC=CC2=CC=CC=C21)(O)O	QKJSPLWXUASQON-KRWDZBQOSA-N
DG56827	"Boronic acid, L-(S)"	387444	"NSC681236; Boronic acid, L-(S); CHEMBL1978026; NSC-681236; NCI60_029008"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681236	.	.	.	.	475.3	C26H30BN3O5	111	684	.	35	4	5	8	"InChI=1S/C26H30BN3O5/c31-25(29-24(27(33)34)17-19-7-2-1-3-8-19)23(28-26(32)30-13-15-35-16-14-30)18-21-11-6-10-20-9-4-5-12-22(20)21/h1-12,23-24,33-34H,13-18H2,(H,28,32)(H,29,31)/t23-,24-/m0/s1"	B([C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC3=CC=CC=C32)NC(=O)N4CCOCC4)(O)O	BPXDSWBQAUJBST-ZEQRLZLVSA-N
DG56828	[(1R)-3-methyl-1-[[(2S)-2-(methylamino)-3-naphthalen-1-ylpropanoyl]amino]butyl]boronic acid;hydrochloride	387445	NSC681237; CHEMBL1979968; NSC-681237	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681237	.	.	.	.	378.7	C19H28BClN2O3	81.6	420	.	26	5	4	8	"InChI=1S/C19H27BN2O3.ClH/c1-13(2)11-18(20(24)25)22-19(23)17(21-3)12-15-9-6-8-14-7-4-5-10-16(14)15;/h4-10,13,17-18,21,24-25H,11-12H2,1-3H3,(H,22,23);1H/t17-,18-;/m0./s1"	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC2=CC=CC=C21)NC)(O)O.Cl	WAMUQAMOLUMIBL-APTPAJQOSA-N
DG56829	[(1R)-3-methyl-1-(3-phenylpropanoylamino)butyl]boronic acid	387448	NSC681242; CHEMBL2003554; [(1R)-3-methyl-1-(3-phenylpropanoylamino)butyl]boronic acid; NSC-681242; NCI60_029011	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681242	.	.	.	.	263.14	C14H22BNO3	69.6	265	.	19	3	3	7	"InChI=1S/C14H22BNO3/c1-11(2)10-13(15(18)19)16-14(17)9-8-12-6-4-3-5-7-12/h3-7,11,13,18-19H,8-10H2,1-2H3,(H,16,17)/t13-/m0/s1"	B([C@H](CC(C)C)NC(=O)CCC1=CC=CC=C1)(O)O	YOBVOZZROFMEJG-ZDUSSCGKSA-N
DG56830	"1,3-Diphenyl-6-((triphenylphosphoranylidene)amino)-2,4(1H,3H)-pyrimidinedione"	387460	"NSC681266; CHEMBL1996819; 1,3-diphenyl-6-[(triphenyl-$l^{5}-phosphanylidene)amino]pyrimidine-2,4-dione; NSC-681266; 1,3-Diphenyl-6-((triphenylphosphoranylidene)amino)-2,4(1H,3H)-pyrimidinedione; NCI60_029020; 1,3-Diphenyl-4-phosphoranylideneamino-uracil; 1,3-diphenyl-6-(triphenylphosphoranylideneamino)-pyrimidin-2,4(1,3h)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681266	.	.	.	.	539.6	C34H26N3O2P	53	909	7.3	40	0	3	6	"InChI=1S/C34H26N3O2P/c38-33-26-32(36(27-16-6-1-7-17-27)34(39)37(33)28-18-8-2-9-19-28)35-40(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-26H"	C1=CC=C(C=C1)N2C(=CC(=O)N(C2=O)C3=CC=CC=C3)N=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6	UTVWJMQGBQSTBA-UHFFFAOYSA-N
DG56831	"2,4,6-Triphenyl[1,3]oxazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione"	387467	"NSC681271; CHEMBL1984028; 2,4,6-Triphenyl[1,3]oxazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione; NSC-681271; NCI60_029025; 2,4,6-triphenyloxazolo[5,4-d]pyrimidine-5,7-dione; 1,6-Triphenyl-oxazolo(5,4-d)pyrimidin-2',4(1H,3H)-dion"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681271	.	.	.	.	381.4	C23H15N3O3	66.6	609	4.7	29	0	4	3	InChI=1S/C23H15N3O3/c27-21-19-22(29-20(24-19)16-10-4-1-5-11-16)26(18-14-8-3-9-15-18)23(28)25(21)17-12-6-2-7-13-17/h1-15H	C1=CC=C(C=C1)C2=NC3=C(O2)N(C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5	QEGGWTVFHIIHKY-UHFFFAOYSA-N
DG56832	4-azido-1-methyl-3-nitro-1H-quinolin-2-one	387473	"NSC681277; 4-azido-1-methyl-3-nitro-1H-quinolin-2-one; CHEMBL1994075; NSC-681277; 4'-Azido-3-nitro-1-methyl-2-quinolone; NCI60_029031; 4-azido-1-methyl-3-nitro-quinolin-2-one; 3-(Hydroxy(oxido)amino)-1-methyl-4-(2.lambda.~5~-1,2-triazadienyl)-2(1H)-quinolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681277	.	.	.	.	245.19	C10H7N5O3	80.5	474	2.2	18	0	5	1	"InChI=1S/C10H7N5O3/c1-14-7-5-3-2-4-6(7)8(12-13-11)9(10(14)16)15(17)18/h2-5H,1H3"	CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N=[N+]=[N-]	PVHDZPYQHVOXSW-UHFFFAOYSA-N
DG56833	"3-Oxido-5-phenyl-[1,2,5]oxadiazolo[3,4-c]quinolin-3-ium-4-one"	387476	"NSC681279; CHEMBL1979343; ZINC1857871; 3-oxido-5-phenyl-[1,2,5]oxadiazolo[3,4-c]quinolin-3-ium-4-one; NSC-681279; NCI60_029033; 5-Phenyl-4-oxo-oxadiazolo(5,4-c)quinolin-3-N-oxide (furoxan); 3-Hydroxy-5-phenyl-3.lambda.~5~-[1,2,5]oxadiazolo[4,3-c]quinolin-4(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681279	.	.	.	.	279.25	C15H9N3O3	71.8	413	2.6	21	0	4	1	InChI=1S/C15H9N3O3/c19-15-14-13(16-21-18(14)20)11-8-4-5-9-12(11)17(15)10-6-2-1-3-7-10/h1-9H	C1=CC=C(C=C1)N2C3=CC=CC=C3C4=NO[N+](=C4C2=O)[O-]	GBTABEKZHZKBOU-UHFFFAOYSA-N
DG56834	"2,3-Diazido-phenalen-1-on"	387478	"NSC681281; 2,3-diazidophenalen-1-one; 2,3-Diazido-phenalen-1-on; CHEMBL1971028; ZINC73280895; NSC-681281; NCI60_029035; 2,3-Di(2.lambda.~5~-1,2-triazadienyl)-1H-phenalen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681281	.	.	.	.	262.23	C13H6N6O	45.8	569	5	20	0	5	2	InChI=1S/C13H6N6O/c14-18-16-11-8-5-1-3-7-4-2-6-9(10(7)8)13(20)12(11)17-19-15/h1-6H	C1=CC2=C3C(=C1)C(=C(C(=O)C3=CC=C2)N=[N+]=[N-])N=[N+]=[N-]	KEDLJWKZWTZCBJ-UHFFFAOYSA-N
DG56835	"1,3-Dimethyl-5-nitro-6-[(triphenyl-$l^{5}-phosphanylidene)amino]pyrimidine-2,4-dione"	387480	"NSC681282; CHEMBL2006686; NSC-681282; 1,3-dimethyl-5-nitro-6-[(triphenyl-$l^{5}-phosphanylidene)amino]pyrimidine-2,4-dione; NCI60_029036; 1,3-Dimethyl-5-nitro-4-phosphoranylideneamino-uracil; 5-(Hydroxy(oxido)amino)-1,3-dimethyl-6-((triphenylphosphoranylidene)amino)-2,4(1H,3H)-pyrimidinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681282	.	.	.	.	460.4	C24H21N4O4P	98.8	810	4.2	33	0	5	4	"InChI=1S/C24H21N4O4P/c1-26-22(21(28(31)32)23(29)27(2)24(26)30)25-33(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3"	CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4	QZTWDTFGMRTQIV-UHFFFAOYSA-N
DG56836	1-Azido-2-acetyl-benzo(ii)quinolizin-3-one	387483	"NSC681285; acetyl(azido)[ ]one; CHEMBL1979590; 6-acetyl-7-azido-2,3-dihydro-1h,5h-pyrido[3,2,1-ij]quinolin-5-one; ZINC16958872; NSC-681285; NCI60_029038; 1-Azido-2-acetyl-benzo(ii)quinolizin-3-one; 6-Acetyl-7-(2.lambda.~5~-1,2-triazadienyl)-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681285	.	.	.	.	268.27	C14H12N4O2	51.7	547	2.5	20	0	4	2	"InChI=1S/C14H12N4O2/c1-8(19)11-12(16-17-15)10-6-2-4-9-5-3-7-18(13(9)10)14(11)20/h2,4,6H,3,5,7H2,1H3"	CC(=O)C1=C(C2=CC=CC3=C2N(C1=O)CCC3)N=[N+]=[N-]	KVBYYQIOSUHUBI-UHFFFAOYSA-N
DG56837	"8-Chloro-2-phenyl[1,3]oxazolo[4,5-c]quinolin-4-ol"	387486	"NSC681287; Maybridge4_002064; Oprea1_728772; 8-Chloro-2-phenyl[1,3]oxazolo[4,5-c]quinolin-4-ol; CHEMBL1966572; HMS1526N18; ZINC163452; CCG-41882; NSC-681287; NCI60_029040; 8-chloro-2-phenyl-oxazolo[4,5-c]quinolin-4-ol; 9-Chlor-2-phenyl-oxazolo(4,5-c)quinolin-4-one; SR-01000631928-1; BRD-K77075425-001-01-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681287	.	.	.	.	296.71	C16H9ClN2O2	55.1	413	3.5	21	1	3	1	"InChI=1S/C16H9ClN2O2/c17-10-6-7-12-11(8-10)14-13(15(20)18-12)19-16(21-14)9-4-2-1-3-5-9/h1-8H,(H,18,20)"	C1=CC=C(C=C1)C2=NC3=C(O2)C4=C(C=CC(=C4)Cl)NC3=O	JHFNLDNGMOPDPD-UHFFFAOYSA-N
DG56838	"Methyl 4-(((1,4-dioxo-1,4-dihydro-2-naphthalenyl)methyl)amino)benzoate"	387487	"NSC681288; CHEMBL1991089; SCHEMBL413751; ZINC1857875; BDBM50523328; Methyl 4-(((1,4-dioxo-1,4-dihydro-2-naphthalenyl)methyl)amino)benzoate; NSC-681288; NCI60_029041; methyl 4-[(1,4-dioxo-2-naphthyl)methylamino]benzoate; Benzoic acid,4-dioxonaphthalenyl)methyl]amino]-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681288	.	.	.	.	321.3	C19H15NO4	72.5	546	2.8	24	1	5	5	"InChI=1S/C19H15NO4/c1-24-19(23)12-6-8-14(9-7-12)20-11-13-10-17(21)15-4-2-3-5-16(15)18(13)22/h2-10,20H,11H2,1H3"	COC(=O)C1=CC=C(C=C1)NCC2=CC(=O)C3=CC=CC=C3C2=O	JJDSELOYDNQKKK-UHFFFAOYSA-N
DG56839	"1-Phenyl-2-(3,4,5-tribromopyrazol-1-yl)ethanone"	387513	"NSC681324; 1-phenyl-2-(3,4,5-tribromopyrazol-1-yl)ethanone; 1-Phenyl-2-(3,4,5-tribromo-1H-pyrazol-1-yl)ethanone; CHEMBL1994432; NSC-681324; NCI60_029057"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681324	.	.	.	.	422.9	C11H7Br3N2O	34.9	284	4.5	17	0	2	3	"InChI=1S/C11H7Br3N2O/c12-9-10(13)15-16(11(9)14)6-8(17)7-4-2-1-3-5-7/h1-5H,6H2"	C1=CC=C(C=C1)C(=O)CN2C(=C(C(=N2)Br)Br)Br	VFXYTEYIICXJJO-UHFFFAOYSA-N
DG56840	"1,2,7,8,9,10-Hexahydro-6H-[1]benzothieno[2',3':4,5]pyrimido[1,2-b][1,2,4,5]tetrazin-6-one"	387515	"NSC681326; CHEMBL1977928; NSC-681326; 1,2,7,8,9,10-Hexahydro-6H-[1]benzothieno[2',3':4,5]pyrimido[1,2-b][1,2,4,5]tetrazin-6-one; NCI60_029059"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681326	.	.	.	.	261.31	C11H11N5OS	97.3	451	1.5	18	2	4	0	"InChI=1S/C11H11N5OS/c17-10-8-6-3-1-2-4-7(6)18-9(8)14-11-15-12-5-13-16(10)11/h5H,1-4H2,(H,12,13)(H,14,15)"	C1CCC2=C(C1)C3=C(S2)N=C4NN=CNN4C3=O	BESIREPWHIXBGG-UHFFFAOYSA-N
DG56841	"N-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)adamantane-1-carboxamide"	387541	"NSC681451; CHEMBL1979621; ZINC5822430; NSC-681451; Uracil,7)]dec-1-yl)carbonyl]amino]-; NCI60_029077; Uracil, 1-(1-adamantylcarboxamido)-5-fluoro-; N-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)adamantane-1-carboxamide; N-(5-Fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-adamantanecarboxamide; Tricyclo[3.3.1.1(3,N-(1,2,3,4-tetrahydro-5-fluoro-2,4-dioxo-1-pyrimidinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681451	.	.	.	.	307.32	C15H18FN3O3	78.5	560	1.6	22	2	4	1	"InChI=1S/C15H18FN3O3/c16-11-7-19(14(22)17-12(11)20)18-13(21)15-4-8-1-9(5-15)3-10(2-8)6-15/h7-10H,1-6H2,(H,18,21)(H,17,20,22)"	C1C2CC3CC1CC(C2)(C3)C(=O)NN4C=C(C(=O)NC4=O)F	PDKDCUWYURDJIJ-UHFFFAOYSA-N
DG56842	"4-(1-Adamantyloxy)-2,6-dichloropyrimidine"	387542	"NSC681452; 4-(1-Adamantyloxy)-2,6-dichloropyrimidine; CHEMBL1989011; ZINC5822431; NSC-681452; NCI60_029078; 4-(1-adamantyloxy)-2,6-dichloro-pyrimidine; 1-Adamantyl 2,6-dichloro-4-pyrimidinyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681452	.	.	.	.	299.2	C14H16Cl2N2O	35	324	5.1	19	0	3	2	"InChI=1S/C14H16Cl2N2O/c15-11-4-12(18-13(16)17-11)19-14-5-8-1-9(6-14)3-10(2-8)7-14/h4,8-10H,1-3,5-7H2"	C1C2CC3CC1CC(C2)(C3)OC4=CC(=NC(=N4)Cl)Cl	PNHPNPKBSSATBM-UHFFFAOYSA-N
DG56843	"4-(2-Adamantyloxy)-2,6-dichloropyrimidine"	387543	"NSC681453; 4-(2-Adamantyloxy)-2,6-dichloropyrimidine; CHEMBL1973086; ZINC1857940; NSC-681453; NCI60_029079; 4-(2-adamantyloxy)-2,6-dichloro-pyrimidine; 2-Adamantyl 2,6-dichloro-4-pyrimidinyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681453	.	.	.	.	299.2	C14H16Cl2N2O	35	326	4.8	19	0	3	2	"InChI=1S/C14H16Cl2N2O/c15-11-6-12(18-14(16)17-11)19-13-9-2-7-1-8(4-9)5-10(13)3-7/h6-10,13H,1-5H2"	C1C2CC3CC1CC(C2)C3OC4=CC(=NC(=N4)Cl)Cl	PATBRHMGNOWNMR-UHFFFAOYSA-N
DG56844	"10-[8-(5-Imino-2,4-dimethylbenzo[b][1,8]naphthyridin-10-yl)octyl]-2,4-dimethylbenzo[b][1,8]naphthyridin-5-imine;hydrochloride"	387546	"MLS002702328; NSC681455; CHEMBL1733684; NSC-681455; SMR001565890; Benzo[b][1, 10,10'-octamethylene- bis[2,4-dimethyl-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681455	.	.	.	.	593.2	C36H41ClN6	80	862	.	43	3	6	9	"InChI=1S/C36H40N6.ClH/c1-23-21-25(3)39-35-31(23)33(37)27-15-9-11-17-29(27)41(35)19-13-7-5-6-8-14-20-42-30-18-12-10-16-28(30)34(38)32-24(2)22-26(4)40-36(32)42;/h9-12,15-18,21-22,37-38H,5-8,13-14,19-20H2,1-4H3;1H"	CC1=CC(=NC2=C1C(=N)C3=CC=CC=C3N2CCCCCCCCN4C5=CC=CC=C5C(=N)C6=C4N=C(C=C6C)C)C.Cl	HBKUXCGREBXUKR-UHFFFAOYSA-N
DG56845	NSC681480	387557	"N-[17-(benzenesulfonyl)-7,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-6-yl]acetamide; NSC681480; CHEMBL1981159; NSC-681480; NCI60_029093"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681480	.	.	.	.	417.4	C21H15N5O3S	115	750	3	30	1	6	3	"InChI=1S/C21H15N5O3S/c1-13(27)23-18-10-9-14-12-17-19(25-20(14)24-18)16-8-5-11-22-21(16)26(17)30(28,29)15-6-3-2-4-7-15/h2-12H,1H3,(H,23,24,25,27)"	CC(=O)NC1=NC2=NC3=C(C=C2C=C1)N(C4=C3C=CC=N4)S(=O)(=O)C5=CC=CC=C5	LKFOTCDUWPISCJ-UHFFFAOYSA-N
DG56846	Benzo[g]quinoxalin-2(1h)-one	387559	benzo[g]quinoxalin-2(1h)-one; NSC681482; SCHEMBL7691155; CHEMBL1989321; ZINC1857953; NSC-681482; NCI60_029095	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681482	.	.	.	.	196.2	C12H8N2O	41.5	300	2.1	15	1	2	0	"InChI=1S/C12H8N2O/c15-12-7-13-10-5-8-3-1-2-4-9(8)6-11(10)14-12/h1-7H,(H,14,15)"	C1=CC=C2C=C3C(=CC2=C1)NC(=O)C=N3	LYSSXWHDEUZXLJ-UHFFFAOYSA-N
DG56847	3-Methylbenzo[g]quinoxalin-2(1h)-one	387560	3-methylbenzo[g]quinoxalin-2(1h)-one; NSC681483; CHEMBL1991579; SCHEMBL22627551; NSC-681483; NCI60_029096	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681483	.	.	.	.	210.23	C13H10N2O	41.5	337	1.9	16	1	2	0	"InChI=1S/C13H10N2O/c1-8-13(16)15-12-7-10-5-3-2-4-9(10)6-11(12)14-8/h2-7H,1H3,(H,15,16)"	CC1=NC2=CC3=CC=CC=C3C=C2NC1=O	WVSNNCAWNUZFHZ-UHFFFAOYSA-N
DG56848	"Methyl 4-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate"	387584	"NSC681541; SCHEMBL3394007; CHEMBL2005058; ZINC1647728; NSC-681541; NCI60_029118; methyl 4-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate; Methyl 4-(((1,4-dihydroxy-2-naphthyl)methyl)amino)benzoate; Benzoic acid,4-dihydroxynaphthalenyl)methyl]amino]-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681541	.	.	.	.	323.3	C19H17NO4	78.8	422	3.8	24	3	5	5	"InChI=1S/C19H17NO4/c1-24-19(23)12-6-8-14(9-7-12)20-11-13-10-17(21)15-4-2-3-5-16(15)18(13)22/h2-10,20-22H,11H2,1H3"	COC(=O)C1=CC=C(C=C1)NCC2=C(C3=CC=CC=C3C(=C2)O)O	VCIGMSXFBWIQPP-UHFFFAOYSA-N
DG56849	"11-Methoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene"	387589	"NSC681598; CHEMBL1999002; 11-Methoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene; NSC-681598; NCI60_029123; 11-methoxy-6,6a,7,12a-tetrahydrochromeno[4,3-b]chromene; 6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromen-11-yl methyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681598	.	.	.	.	268.31	C17H16O3	27.7	345	3.4	20	0	3	1	"InChI=1S/C17H16O3/c1-18-15-8-4-5-11-9-12-10-19-14-7-3-2-6-13(14)16(12)20-17(11)15/h2-8,12,16H,9-10H2,1H3"	COC1=CC=CC2=C1OC3C(C2)COC4=CC=CC=C34	PIIUHUKEIRFHOR-UHFFFAOYSA-N
DG56850	"3-Methoxy-6a,13a-dihydro-6H,7H-chromeno[4,3-b][1,3]dioxolo[4,5-g]chromene"	387597	"NSC681606; CHEMBL1994300; 3-Methoxy-6a,13a-dihydro-6H,7H-chromeno[4,3-b][1,3]dioxolo[4,5-g]chromene; NSC-681606; NCI60_029131; 6a,13a-Dihydro-6H,7H-chromeno[4,3-b][1,3]dioxolo[4,5-g]chromen-3-yl methyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681606	.	.	.	.	312.3	C18H16O5	46.2	443	3.2	23	0	5	1	"InChI=1S/C18H16O5/c1-19-12-2-3-13-15(6-12)20-8-11-4-10-5-16-17(22-9-21-16)7-14(10)23-18(11)13/h2-3,5-7,11,18H,4,8-9H2,1H3"	COC1=CC2=C(C=C1)C3C(CC4=CC5=C(C=C4O3)OCO5)CO2	GWWLSTFCRUNEEA-UHFFFAOYSA-N
DG56851	"3-Methoxy-6H,7H-chromeno[4,3-b]chromene"	387604	"NSC681613; 3-Methoxy-6H,7H-chromeno[4,3-b]chromene; CHEMBL1981809; ZINC1647802; NSC-681613; NCI60_029138; 3-methoxy-6,7-dihydrochromeno[4,3-b]chromene; 6H,7H-Chromeno[4,3-b]chromen-3-yl methyl ether; 3-Methoxy-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681613	.	.	.	.	266.29	C17H14O3	27.7	403	3	20	0	3	1	"InChI=1S/C17H14O3/c1-18-13-6-7-14-16(9-13)19-10-12-8-11-4-2-3-5-15(11)20-17(12)14/h2-7,9H,8,10H2,1H3"	COC1=CC2=C(C=C1)C3=C(CC4=CC=CC=C4O3)CO2	YYPFLCOLVJWBIR-UHFFFAOYSA-N
DG56852	"3-methoxy-6H-chromeno[4,3-b]chromen-7-one"	387610	"NSC681619; 3-methoxy-6H-chromeno[4,3-b]chromen-7-one; 3-Methoxy-6H,7H-chromeno[4,3-b]chromen-7-one; CHEMBL1998712; ZINC1647808; NSC-681619; NCI60_029144; 3-Methoxy-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681619	.	.	.	.	280.27	C17H12O4	44.8	469	2.7	21	0	4	1	"InChI=1S/C17H12O4/c1-19-10-6-7-12-15(8-10)20-9-13-16(18)11-4-2-3-5-14(11)21-17(12)13/h2-8H,9H2,1H3"	COC1=CC2=C(C=C1)C3=C(CO2)C(=O)C4=CC=CC=C4O3	PWZMSAMMCDWPMJ-UHFFFAOYSA-N
DG56853	2-Hydroxy-17beta-estradiol triacetate	387661	"CHEMBL1627467; NSC681682; SCHEMBL8002164; BDBM50471276; 2-Hydroxy-17beta-estradiol triacetate; NSC-681682; NCI60_029175; 2,17.beta.-Triacetyloxyestra-1,3,5(10)-triene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681682	.	.	.	.	414.5	C24H30O6	78.9	704	4.4	30	0	6	6	"InChI=1S/C24H30O6/c1-13(25)28-21-11-16-5-6-18-17(19(16)12-22(21)29-14(2)26)9-10-24(4)20(18)7-8-23(24)30-15(3)27/h11-12,17-18,20,23H,5-10H2,1-4H3/t17-,18+,20-,23-,24-/m0/s1"	CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=C(C=C34)OC(=O)C)OC(=O)C)C	STVSYWGMQNUXIG-JFDOVZFRSA-N
DG56854	"2-Trifluoroethoxy-6-oxoestra-1,3,5(10)-trien-3,17beta-diol"	387663	"CHEMBL1628104; 2-trifluoroethoxy-6-oxoestra-1,3,5(10)-trien-3,17beta-diol; NSC681684; BDBM50471273; NSC-681684; NCI60_029177; 2-Trifluoroethoxy-6-oxoestra-1,5(10)-trien-3,17.beta.-diol; 2-(2,2,2-Trifluoroethoxy)-3,17beta-dihydroxy-1,3,5(10)-estratrien-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681684	.	.	.	.	384.4	C20H23F3O4	66.8	594	3.9	27	2	7	2	"InChI=1S/C20H23F3O4/c1-19-5-4-10-11-8-17(27-9-20(21,22)23)16(25)7-13(11)15(24)6-12(10)14(19)2-3-18(19)26/h7-8,10,12,14,18,25-26H,2-6,9H2,1H3/t10-,12-,14+,18+,19+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC(=O)C4=CC(=C(C=C34)OCC(F)(F)F)O	HXKISEUWNSOHQL-XLVSEUFYSA-N
DG56855	"2-((2,6-Dichloro-9H-purin-9-yl)methoxy)ethyl acetate"	387666	"59277-99-5; 2-((2,6-Dichloro-9H-purin-9-yl)methoxy)ethyl acetate; NSC681692; 2-[(2,6-dichloropurin-9-yl)methoxy]ethyl acetate; CHEMBL38170; SCHEMBL11244724; DTXSID80207994; NSC-681692; NCI60_029185; 2,6-dichloro-9-(2-acetyloxyethoxymethyl)purine; 2,6-Dichloro-9-(2-acetoxyethoxymethyl)-9H-purine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681692	.	.	.	.	305.11	C10H10Cl2N4O3	79.1	323	1.7	19	0	6	6	"InChI=1S/C10H10Cl2N4O3/c1-6(17)19-3-2-18-5-16-4-13-7-8(11)14-10(12)15-9(7)16/h4H,2-3,5H2,1H3"	CC(=O)OCCOCN1C=NC2=C1N=C(N=C2Cl)Cl	WDWFTRKUESNIEQ-UHFFFAOYSA-N
DG56856	2-[[2-(4-Butylanilino)-6-chloro-purin-9-yl]methoxy]ethyl acetate	387674	NSC681699; CHEMBL1990058; NSC-681699; NCI60_029190; 2-[[2-(4-butylanilino)-6-chloro-purin-9-yl]methoxy]ethyl acetate; 2-((2-(4-Butylanilino)-6-chloro-9H-purin-9-yl)methoxy)ethyl acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681699	.	.	.	.	417.9	C20H24ClN5O3	91.2	507	4.5	29	1	7	11	"InChI=1S/C20H24ClN5O3/c1-3-4-5-15-6-8-16(9-7-15)23-20-24-18(21)17-19(25-20)26(12-22-17)13-28-10-11-29-14(2)27/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,23,24,25)"	CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)Cl)N=CN3COCCOC(=O)C	AYSQAHYTHOBYJR-UHFFFAOYSA-N
DG56857	4-Chloro-6-(phenyldiazenyl)-2-pyrimidinamine	387683	NSC681709; CHEMBL1979285; NSC-681709; NCI60_029200; 4-Chloro-6-(phenyldiazenyl)-2-pyrimidinamine; 4-Chloro-6-(phenyldiazenyl)-2-pyrimidinylamine; 4-chloro-6-[(E)-phenylazo]pyrimidin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681709	.	.	.	.	233.66	C10H8ClN5	76.5	241	2.9	16	1	5	2	"InChI=1S/C10H8ClN5/c11-8-6-9(14-10(12)13-8)16-15-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14)"	C1=CC=C(C=C1)N=NC2=CC(=NC(=N2)N)Cl	RQBARAQDBABCMM-UHFFFAOYSA-N
DG56858	NSC681710	387684	"(5S,5aS,8aR,9R)-5-(2-benzoylanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; NSC681710; CHEMBL1987112; NSC-681710; NCI60_029201"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681710	.	.	.	.	593.6	C35H31NO8	102	1000	6.3	44	1	9	8	"InChI=1S/C35H31NO8/c1-39-28-13-20(14-29(40-2)34(28)41-3)30-22-15-26-27(44-18-43-26)16-23(22)32(24-17-42-35(38)31(24)30)36-25-12-8-7-11-21(25)33(37)19-9-5-4-6-10-19/h4-16,24,30-32,36H,17-18H2,1-3H3/t24-,30+,31-,32+/m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=CC=C6C(=O)C7=CC=CC=C7	VAVLEWZEWRTESR-YZCUKXFTSA-N
DG56859	NSC681711	387685	"(5S,5aS,8aR,9R)-5-(2-benzoyl-4-chloroanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; NSC681711; CHEMBL1996664; NSC-681711; NCI60_029202"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681711	.	.	.	.	628.1	C35H30ClNO8	102	1040	6.9	45	1	9	8	"InChI=1S/C35H30ClNO8/c1-40-28-11-19(12-29(41-2)34(28)42-3)30-21-14-26-27(45-17-44-26)15-22(21)32(24-16-43-35(39)31(24)30)37-25-10-9-20(36)13-23(25)33(38)18-7-5-4-6-8-18/h4-15,24,30-32,37H,16-17H2,1-3H3/t24-,30+,31-,32+/m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=C(C=C(C=C6)Cl)C(=O)C7=CC=CC=C7	NTGSJJQELKJCCH-YZCUKXFTSA-N
DG56860	NSC681712	387686	"(5S,5aS,8aR,9R)-5-[4-chloro-2-(2-chlorobenzoyl)anilino]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; NSC681712; CHEMBL1977366; NSC-681712; NCI60_029203"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681712	.	.	.	.	662.5	C35H29Cl2NO8	102	1080	7.5	46	1	9	8	"InChI=1S/C35H29Cl2NO8/c1-41-28-10-17(11-29(42-2)34(28)43-3)30-20-13-26-27(46-16-45-26)14-21(20)32(23-15-44-35(40)31(23)30)38-25-9-8-18(36)12-22(25)33(39)19-6-4-5-7-24(19)37/h4-14,23,30-32,38H,15-16H2,1-3H3/t23-,30+,31-,32+/m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=C(C=C(C=C6)Cl)C(=O)C7=CC=CC=C7Cl	JPTYRQOYOGPYKK-FPMZXNSHSA-N
DG56861	NSC681713	387687	"(5S,5aS,8aR,9R)-5-(2-benzoyl-4-nitroanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; NSC681713; CHEMBL2006548; NSC-681713; NCI60_029204"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681713	.	.	.	.	638.6	C35H30N2O10	147	1130	6.1	47	1	11	8	"InChI=1S/C35H30N2O10/c1-42-28-11-19(12-29(43-2)34(28)44-3)30-21-14-26-27(47-17-46-26)15-22(21)32(24-16-45-35(39)31(24)30)36-25-10-9-20(37(40)41)13-23(25)33(38)18-7-5-4-6-8-18/h4-15,24,30-32,36H,16-17H2,1-3H3/t24-,30+,31-,32+/m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=C(C=C(C=C6)[N+](=O)[O-])C(=O)C7=CC=CC=C7	QALOZSDFUKQUIP-YZCUKXFTSA-N
DG56862	"1-Isopropyl-2-methylpropyl 4-(((3,6-dioxo-1,4-cyclohexadien-1-yl)methyl)amino)benzoate"	387690	"NSC681719; CHEMBL2004556; ZINC1647890; NSC-681719; NCI60_029205; (1-isopropyl-2-methyl-propyl) 4-[(3,6-dioxocyclohexa-1,4-dien-1-yl)methylamino]benzoate; 1-Isopropyl-2-methylpropyl 4-(((3,6-dioxo-1,4-cyclohexadien-1-yl)methyl)amino)benzoate; Benzoic acid,6-dioxo-1,4-cyclohexadienyl)methyl]amino]-, 2,4-dimethyl-3-pentanyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681719	.	.	.	.	355.4	C21H25NO4	72.5	587	4.1	26	1	5	8	"InChI=1S/C21H25NO4/c1-13(2)20(14(3)4)26-21(25)15-5-7-17(8-6-15)22-12-16-11-18(23)9-10-19(16)24/h5-11,13-14,20,22H,12H2,1-4H3"	CC(C)C(C(C)C)OC(=O)C1=CC=C(C=C1)NCC2=CC(=O)C=CC2=O	INTVTEMVYKAJMJ-UHFFFAOYSA-N
DG56863	2-Anilino-2-[4-[anilino(cyano)methyl]phenyl]acetonitrile	387696	"NSC681725; CHEMBL1989759; 2-anilino-2-[4-[anilino(cyano)methyl]phenyl]acetonitrile; NSC-681725; NCI60_029210; 1,4-Benzenediacetonitrile, .alpha.,.alpha.'-bis(phenylamino)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681725	.	.	.	.	338.4	C22H18N4	71.6	459	4.9	26	2	4	6	"InChI=1S/C22H18N4/c23-15-21(25-19-7-3-1-4-8-19)17-11-13-18(14-12-17)22(16-24)26-20-9-5-2-6-10-20/h1-14,21-22,25-26H"	C1=CC=C(C=C1)NC(C#N)C2=CC=C(C=C2)C(C#N)NC3=CC=CC=C3	FTSCRIFQTOUYPU-UHFFFAOYSA-N
DG56864	2-(4-(4-(1-(4-(4-((1-Cyanoethyl)amino)phenoxy)phenyl)-1-methylethyl)phenoxy)anilino)propanenitrile	387698	NSC681727; CHEMBL1981988; NSC-681727; NCI60_029212; 2-(4-(4-(1-(4-(4-((1-Cyanoethyl)amino)phenoxy)phenyl)-1-methylethyl)phenoxy)anilino)propanenitrile; 2-[4-[4-[1-[4-[4-(1-cyanoethylamino)phenoxy]phenyl]-1-methyl-ethyl]phenoxy]anilino]propanenitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681727	.	.	.	.	516.6	C33H32N4O2	90.1	758	8.1	39	2	6	10	"InChI=1S/C33H32N4O2/c1-23(21-34)36-27-9-17-31(18-10-27)38-29-13-5-25(6-14-29)33(3,4)26-7-15-30(16-8-26)39-32-19-11-28(12-20-32)37-24(2)22-35/h5-20,23-24,36-37H,1-4H3"	CC(C#N)NC1=CC=C(C=C1)OC2=CC=C(C=C2)C(C)(C)C3=CC=C(C=C3)OC4=CC=C(C=C4)NC(C)C#N	JPFWAXUOBJIHLX-UHFFFAOYSA-N
DG56865	((3-(((Cyano(phenyl)methyl)amino)methyl)benzyl)amino)(phenyl)acetonitrile	387701	"NSC681730; CHEMBL2000569; NSC-681730; NCI60_029215; 2,3-phenylenebis(methylene))bis(azanediyl)bis(2-phenylacetonitrile); ((3-(((Cyano(phenyl)methyl)amino)methyl)benzyl)amino)(phenyl)acetonitrile; 2-[[3-[[[cyano(phenyl)methyl]amino]methyl]phenyl]methylamino]-2-phenyl-acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681730	.	.	.	.	366.5	C24H22N4	71.6	495	3.6	28	2	4	8	"InChI=1S/C24H22N4/c25-15-23(21-10-3-1-4-11-21)27-17-19-8-7-9-20(14-19)18-28-24(16-26)22-12-5-2-6-13-22/h1-14,23-24,27-28H,17-18H2"	C1=CC=C(C=C1)C(C#N)NCC2=CC(=CC=C2)CNC(C#N)C3=CC=CC=C3	GDUKSZNPUNHGQE-UHFFFAOYSA-N
DG56866	NSC681746	387717	N-[cyano(phenyl)methyl]-N-[2-[2-[2-[[cyano(phenyl)methyl]-(naphthalene-1-carbonyl)amino]ethoxy]ethoxy]ethyl]naphthalene-1-carboxamide; NSC681746; CHEMBL1971167; NSC-681746; N-[cyano(phenyl)methyl]-N-[2-[2-[2-[[cyano(phenyl)methyl]-(naphthalene-1-carbonyl)amino]ethoxy]ethoxy]ethyl]naphthalene-1-carboxamide; NCI60_029231; N-(Cyano(phenyl)methyl)-N-(2-(2-(2-((cyano(phenyl)methyl)(1-naphthoyl)amino)ethoxy)ethoxy)ethyl)-1-naphthamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681746	.	.	.	.	686.8	C44H38N4O4	107	1130	7.7	52	0	6	15	"InChI=1S/C44H38N4O4/c45-31-41(35-15-3-1-4-16-35)47(43(49)39-23-11-19-33-13-7-9-21-37(33)39)25-27-51-29-30-52-28-26-48(42(32-46)36-17-5-2-6-18-36)44(50)40-24-12-20-34-14-8-10-22-38(34)40/h1-24,41-42H,25-30H2"	C1=CC=C(C=C1)C(C#N)N(CCOCCOCCN(C(C#N)C2=CC=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43)C(=O)C5=CC=CC6=CC=CC=C65	NMCVCQNBALQCFY-UHFFFAOYSA-N
DG56867	N-[[3-[[acetyl(1-cyanopropyl)amino]methyl]phenyl]methyl]-N-(1-cyanopropyl)acetamide	387719	NSC681748; CHEMBL1978338; NSC-681748; N-[[3-[[acetyl(1-cyanopropyl)amino]methyl]phenyl]methyl]-N-(1-cyanopropyl)acetamide; NCI60_029233; N-(3-((Acetyl(1-cyanopropyl)amino)methyl)benzyl)-N-(1-cyanopropyl)acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681748	.	.	.	.	354.4	C20H26N4O2	88.2	535	1.9	26	0	4	8	"InChI=1S/C20H26N4O2/c1-5-19(11-21)23(15(3)25)13-17-8-7-9-18(10-17)14-24(16(4)26)20(6-2)12-22/h7-10,19-20H,5-6,13-14H2,1-4H3"	CCC(C#N)N(CC1=CC(=CC=C1)CN(C(CC)C#N)C(=O)C)C(=O)C	UOONXSFQZJSYHA-UHFFFAOYSA-N
DG56868	N-[[4-[10-[4-[[acetyl(phenethyl)amino]-cyano-methyl]phenoxy]decoxy]phenyl]-cyano-methyl]-N-phenethyl-acetamide	387721	NSC681750; CHEMBL1972973; NSC-681750; NCI60_029235; N-((4-((10-(4-((Acetyl(2-phenylethyl)amino)(cyano)methyl)phenoxy)decyl)oxy)phenyl)(cyano)methyl)-N-(2-phenylethyl)acetamide; N-[[4-[10-[4-[[acetyl(phenethyl)amino]-cyano-methyl]phenoxy]decoxy]phenyl]-cyano-methyl]-N-phenethyl-acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681750	.	.	.	.	726.9	C46H54N4O4	107	1060	9.6	54	0	6	23	"InChI=1S/C46H54N4O4/c1-37(51)49(31-29-39-17-11-9-12-18-39)45(35-47)41-21-25-43(26-22-41)53-33-15-7-5-3-4-6-8-16-34-54-44-27-23-42(24-28-44)46(36-48)50(38(2)52)32-30-40-19-13-10-14-20-40/h9-14,17-28,45-46H,3-8,15-16,29-34H2,1-2H3"	CC(=O)N(CCC1=CC=CC=C1)C(C#N)C2=CC=C(C=C2)OCCCCCCCCCCOC3=CC=C(C=C3)C(C#N)N(CCC4=CC=CC=C4)C(=O)C	BZIDIVKNMHYWSO-UHFFFAOYSA-N
DG56869	"5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile"	387729	"NSC681758; CHEMBL1969381; STK540626; AKOS005470748; MCULE-3080617938; NSC-681758; 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile; 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile; NCI60_029243; 1H-Pyrrole-3,4-tricarbonitrile, 5-amino-2,3-dihydro- 1-(4-methoxyphenyl)-2-(3-nitrophenyl)-; 329928-27-0; 5-Amino-2-(3-(hydroxy(oxido)amino)phenyl)-1-(4-methoxyphenyl)-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681758	.	.	.	.	386.4	C20H14N6O3	156	826	2.6	29	1	8	3	"InChI=1S/C20H14N6O3/c1-29-16-7-5-14(6-8-16)25-18(13-3-2-4-15(9-13)26(27)28)20(11-22,12-23)17(10-21)19(25)24/h2-9,18H,24H2,1H3"	COC1=CC=C(C=C1)N2C(C(C(=C2N)C#N)(C#N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]	RFHSTAWCVDYMAA-UHFFFAOYSA-N
DG56870	"2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile"	387738	"NSC681767; 2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile; 78563-59-4; 2-amino-1,5-diphenylpyrrole-3,4-dicarbonitrile; MLS000554248; CHEMBL1536808; DTXSID00327744; HMS2281F19; ZINC545993; STK760172; AKOS005614640; MCULE-3130621513; NSC-681767; NCI60_029252; SMR000146565; 2-amino-1,5-diphenyl-pyrrole-3,4-dicarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681767	.	.	.	.	284.3	C18H12N4	78.5	472	3.6	22	1	3	2	"InChI=1S/C18H12N4/c19-11-15-16(12-20)18(21)22(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13/h1-10H,21H2"	C1=CC=C(C=C1)C2=C(C(=C(N2C3=CC=CC=C3)N)C#N)C#N	XQCNSHRRDWZUFO-UHFFFAOYSA-N
DG56871	"2-Amino-1-(4-methoxyphenyl)-5-phenyl-1H-pyrrole-3,4-dicarbonitrile"	387739	"NSC681768; Oprea1_165510; CHEMBL1980300; ZINC1647965; 2-Amino-1-(4-methoxyphenyl)-5-phenyl-1H-pyrrole-3,4-dicarbonitrile; NSC-681768; NCI60_029253; SR-01000521122; SR-01000521122-1; 2-amino-1-(4-methoxyphenyl)-5-phenyl-pyrrole-3,4-dicarbonitrile; 2-Amino-1-(4-methoxyphenyl)-5-phenyl-1H-pyrrole-3.4-dicarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681768	.	.	.	.	314.3	C19H14N4O	87.8	518	3.6	24	1	4	3	"InChI=1S/C19H14N4O/c1-24-15-9-7-14(8-10-15)23-18(13-5-3-2-4-6-13)16(11-20)17(12-21)19(23)22/h2-10H,22H2,1H3"	COC1=CC=C(C=C1)N2C(=C(C(=C2N)C#N)C#N)C3=CC=CC=C3	XTEFRGALZMWBFT-UHFFFAOYSA-N
DG56872	"2-Amino-1-(4-methoxyphenyl)-5-(3-nitrophenyl)pyrrole-3,4-dicarbonitrile"	387740	"NSC681769; 2-amino-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-1H-pyrrole-3,4-dicarbonitrile; CHEMBL1976310; ZINC1067269; STK763956; 2-amino-1-(4-methoxyphenyl)-5-(3-nitrophenyl)pyrrole-3,4-dicarbonitrile; AKOS001738840; MCULE-7548392395; NSC-681769; NCI60_029254; EU-0019136; SR-01000531547; SR-01000531547-1; 2-Amino-5-(3-(hydroxy(oxido)amino)phenyl)-1-(4-methoxyphenyl)-1H-pyrrole-3,4-dicarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681769	.	.	.	.	359.3	C19H13N5O3	134	639	3.4	27	1	6	3	"InChI=1S/C19H13N5O3/c1-27-15-7-5-13(6-8-15)23-18(16(10-20)17(11-21)19(23)22)12-3-2-4-14(9-12)24(25)26/h2-9H,22H2,1H3"	COC1=CC=C(C=C1)N2C(=C(C(=C2N)C#N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]	STDVTKCDSKGUQG-UHFFFAOYSA-N
DG56873	"2-Amino-5-(3-nitrophenyl)-1-phenyl-1h-pyrrole-3,4-dicarbonitrile"	387741	"NSC681770; 2-amino-5-(3-nitrophenyl)-1-phenyl-1h-pyrrole-3,4-dicarbonitrile; Cambridge id 5865107; CHEMBL2002134; ZINC1188762; MCULE-5506319865; NSC-681770; NCI60_029255; SR-01000222248; SR-01000222248-1; 2-amino-5-(3-nitrophenyl)-1-phenyl-pyrrole-3,4-dicarbonitrile; 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-5-(3-nitrophenyl)-1-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681770	.	.	.	.	329.3	C18H11N5O2	124	594	3.5	25	1	5	2	"InChI=1S/C18H11N5O2/c19-10-15-16(11-20)18(21)22(13-6-2-1-3-7-13)17(15)12-5-4-8-14(9-12)23(24)25/h1-9H,21H2"	C1=CC=C(C=C1)N2C(=C(C(=C2N)C#N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]	DBHIBEPVTUDKMX-UHFFFAOYSA-N
DG56874	"2-amino-5-(furan-2-yl)-1-phenyl-1H-pyrrole-3,4-dicarbonitrile"	387742	"NSC681771; 78563-60-7; 2-amino-5-(furan-2-yl)-1-phenyl-1H-pyrrole-3,4-dicarbonitrile; CHEMBL1966749; DTXSID60327745; ZINC493843; 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-5-(2-furanyl)-1-phenyl-; STK529683; AKOS005462384; MCULE-5919852788; NSC-681771; NCI60_029256; 2-amino-5-(2-furyl)-1-phenyl-pyrrole-3,4-dicarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681771	.	.	.	.	274.28	C16H10N4O	91.7	469	2.7	21	1	4	2	"InChI=1S/C16H10N4O/c17-9-12-13(10-18)16(19)20(11-5-2-1-3-6-11)15(12)14-7-4-8-21-14/h1-8H,19H2"	C1=CC=C(C=C1)N2C(=C(C(=C2N)C#N)C#N)C3=CC=CO3	XOZGFVVIJIHNCC-UHFFFAOYSA-N
DG56875	"2-Amino-5-(2-furyl)-1-(4-methoxyphenyl)pyrrole-3,4-dicarbonitrile"	387743	"NSC681772; CHEMBL1967223; NSC-681772; NCI60_029257; 2-amino-5-(2-furyl)-1-(4-methoxyphenyl)pyrrole-3,4-dicarbonitrile; 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-5-(2-furanyl)-1-(4-methoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681772	.	.	.	.	304.3	C17H12N4O2	101	513	2.7	23	1	5	3	"InChI=1S/C17H12N4O2/c1-22-12-6-4-11(5-7-12)21-16(15-3-2-8-23-15)13(9-18)14(10-19)17(21)20/h2-8H,20H2,1H3"	COC1=CC=C(C=C1)N2C(=C(C(=C2N)C#N)C#N)C3=CC=CO3	CEUVGDWKMVKAIM-UHFFFAOYSA-N
DG56876	"3-Amino-4,5-dimethyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile"	387748	"NSC681777; 3-amino-4,5-dimethyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile; CHEMBL1996042; STK676952; AKOS005594396; MCULE-1514592612; NSC-681777; NCI60_029262; 2-amino-5,5-dicyano-3,4-dimethyl-3-nitro-1-cyclopentenyl cyanide; 2-Cyclopentene-1,1,2-tricarbonitrile, 3-amino-4,5-dimethyl-4-nitro-; 3-Amino-4,5-dimethyl-4-nitro-2-cyclopentene-1,1,2-tricarbonitrile #; 3-amino-4,5-dimethyl-4-nitro-cyclopent-2-ene-1,1,2-tricarbonitrile; 3-Amino-4-(hydroxy(oxido)amino)-4,5-dimethyl-2-cyclopentene-1,1,2-tricarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681777	.	.	.	.	231.21	C10H9N5O2	143	556	0.1	17	1	6	0	"InChI=1S/C10H9N5O2/c1-6-9(2,15(16)17)8(14)7(3-11)10(6,4-12)5-13/h6H,14H2,1-2H3"	CC1C(C(=C(C1(C#N)C#N)C#N)N)(C)[N+](=O)[O-]	RVWJDIMDWOLYAH-UHFFFAOYSA-N
DG56877	"4-Acetyl-3-amino-4-methyl-5-propyl-2-cyclopentene-1,1,2-tricarbonitrile"	387751	"NSC681780; CHEMBL1992345; NSC-681780; NCI60_029265; SR-01000531546; SR-01000531546-1; 4-Acetyl-3-amino-4-methyl-5-propyl-2-cyclopentene-1,1,2-tricarbonitrile; 4-acetyl-3-amino-4-methyl-5-propyl-cyclopent-2-ene-1,1,2-tricarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681780	.	.	.	.	256.3	C14H16N4O	115	587	1.2	19	1	5	3	"InChI=1S/C14H16N4O/c1-4-5-11-13(3,9(2)19)12(18)10(6-15)14(11,7-16)8-17/h11H,4-5,18H2,1-3H3"	CCCC1C(C(=C(C1(C#N)C#N)C#N)N)(C)C(=O)C	IIIIOZNTOGBOQU-UHFFFAOYSA-N
DG56878	"3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile"	387753	"NSC681782; 3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile; MLS001049391; CHEMBL1429260; CHEBI:114918; HMS2798C20; STL298328; AKOS022101540; MCULE-2614613000; NSC-681782; NCI60_029267; SMR000426788; EU-0084977; SR-01000519390; SR-01000519390-1; Q27196761; 3-Lmino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile; 3-Imino-1,5,5-trimethyl-2-oxa-bicyclo[2.2.1]heptane-4,7,7-tricarbonitrile; 93971-37-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681782	.	.	.	.	228.25	C12H12N4O	104	561	0.8	17	1	5	0	"InChI=1S/C12H12N4O/c1-9(2)4-10(3)11(5-13,6-14)12(9,7-15)8(16)17-10/h16H,4H2,1-3H3"	CC1(CC2(C(C1(C(=N)O2)C#N)(C#N)C#N)C)C	PERGIMFAIDAJHC-UHFFFAOYSA-N
DG56879	"Ethyl 4,7,7-tricyano-3-imino-5-isopropyl-1-methyl-2-oxabicyclo[2.2.1]heptane-6-carboxylate"	387755	"NSC681784; Oprea1_229714; CHEMBL1988253; NSC-681784; NCI60_029269; Ethyl 4,7,7-tricyano-3-imino-5-isopropyl-1-methyl-2-oxabicyclo[2.2.1]heptane-6-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681784	.	.	.	.	314.34	C16H18N4O3	131	714	1.1	23	1	7	4	"InChI=1S/C16H18N4O3/c1-5-22-12(21)11-10(9(2)3)16(8-19)13(20)23-14(11,4)15(16,6-17)7-18/h9-11,20H,5H2,1-4H3"	CCOC(=O)C1C(C2(C(=N)OC1(C2(C#N)C#N)C)C#N)C(C)C	ATIXZNRVXNYSEC-UHFFFAOYSA-N
DG56880	"Ethyl 4,7,7-tricyano-3-imino-1-methyl-5-phenyl-2-oxabicyclo[2.2.1]heptane-6-carboxylate"	387757	"NSC681786; Ethyl 4,7,7-tricyano-3-imino-1-methyl-5-phenyl-2-oxabicyclo[2.2.1]heptane-6-carboxylate; Ethyl 4,7,7-tricyano-3-imino-1-methyl-5-phenyl-2-oxabicyclo(2.2.1)heptane-6-carboxylate; Oprea1_621186; CHEMBL1984245; NSC-681786; NCI60_029271"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681786	.	.	.	.	348.4	C19H16N4O3	131	786	1.2	26	1	7	4	"InChI=1S/C19H16N4O3/c1-3-25-15(24)14-13(12-7-5-4-6-8-12)19(11-22)16(23)26-17(14,2)18(19,9-20)10-21/h4-8,13-14,23H,3H2,1-2H3"	CCOC(=O)C1C(C2(C(=N)OC1(C2(C#N)C#N)C)C#N)C3=CC=CC=C3	KLXOIVABBVGCQQ-UHFFFAOYSA-N
DG56881	4-[(E)-[1-[3-(2-chloroanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid	387760	"NSC681814; CHEMBL2007176; NSC-681814; NCI60_029274; 4-((1-(3-(2-Chloroanilino)-3-oxopropanoyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)benzoic acid; 4-[(E)-[1-[3-(2-chloroanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681814	.	.	.	.	441.8	C20H16ClN5O5	141	793	3.2	31	2	8	6	"InChI=1S/C20H16ClN5O5/c1-11-18(24-23-13-8-6-12(7-9-13)20(30)31)19(29)26(25-11)17(28)10-16(27)22-15-5-3-2-4-14(15)21/h2-9,18H,10H2,1H3,(H,22,27)(H,30,31)"	CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C(=O)CC(=O)NC3=CC=CC=C3Cl	MGZMNVCGRSQUDH-UHFFFAOYSA-N
DG56882	"4-((1-(3-(2-Methoxyanilino)-3-oxopropanoyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)benzoic acid"	387766	"NSC681820; CHEMBL1975475; NSC-681820; NCI60_029279; 4-((1-(3-(2-Methoxyanilino)-3-oxopropanoyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)benzoic acid; 4-[(E)-[1-[3-(2-methoxyanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681820	.	.	.	.	437.4	C21H19N5O6	150	805	2.6	32	2	9	7	"InChI=1S/C21H19N5O6/c1-12-19(24-23-14-9-7-13(8-10-14)21(30)31)20(29)26(25-12)18(28)11-17(27)22-15-5-3-4-6-16(15)32-2/h3-10,19H,11H2,1-2H3,(H,22,27)(H,30,31)"	CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C(=O)CC(=O)NC3=CC=CC=C3OC	RNZQNRXGBXKHDZ-UHFFFAOYSA-N
DG56883	"Benzo[1,5-b']dithiophene-4,8-dione, 2,7-dinitro-"	387769	"NSC681823; CHEMBL1995191; NSC-681823; NCI60_029282; Benzo[1,5-b']dithiophene-4,8-dione, 2,7-dinitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681823	.	.	.	.	310.3	C10H2N2O6S2	182	515	2.9	20	0	8	0	InChI=1S/C10H2N2O6S2/c13-7-3-1-5(12(17)18)20-9(3)8(14)6-4(11(15)16)2-19-10(6)7/h1-2H	C1=C(SC2=C1C(=O)C3=C(C2=O)C(=CS3)[N+](=O)[O-])[N+](=O)[O-]	ZPTJGLPQTLNGGS-UHFFFAOYSA-N
DG56884	"Benzo[1,5-b']dithiophene-4,8-dione, 2-nitro-"	387770	"NSC681824; CHEMBL1978859; NSC-681824; NCI60_029283; Benzo[1,5-b']dithiophene-4,8-dione, 2-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681824	.	.	.	.	265.3	C10H3NO4S2	136	408	3.1	17	0	6	0	InChI=1S/C10H3NO4S2/c12-7-4-1-2-16-9(4)8(13)5-3-6(11(14)15)17-10(5)7/h1-3H	C1=CSC2=C1C(=O)C3=C(C2=O)C=C(S3)[N+](=O)[O-]	MTFATHXVPHMWKS-UHFFFAOYSA-N
DG56885	"4,8-Diethoxythieno[2,3-f]benzothiophene"	387771	"NSC681825; CHEMBL1980696; SCHEMBL12074954; NSC-681825; 4,8-diethoxythieno[2,3-f]benzothiophene; NCI60_029284; Benzo[1,5-b']dithiophene, 4,8-diethoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681825	.	.	.	.	278.4	C14H14O2S2	74.9	259	4.6	18	0	4	4	"InChI=1S/C14H14O2S2/c1-3-15-11-9-5-7-18-14(9)12(16-4-2)10-6-8-17-13(10)11/h5-8H,3-4H2,1-2H3"	CCOC1=C2C=CSC2=C(C3=C1SC=C3)OCC	XKWFECQTSQIZJK-UHFFFAOYSA-N
DG56886	"4,8-Dimethoxybenzo[1,2-b:4,5-b']dithiophene"	387773	"NSC681827; CHEMBL1964758; SCHEMBL12700187; NSC-681827; NCI60_029286; 4,8-Dimethoxybenzo[1,2-b:4,5-b']dithiophene; 4,8-Dimethoxy-benzo[1,2-b:4,5-b']dithiophene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681827	.	.	.	.	250.3	C12H10O2S2	74.9	235	3.9	16	0	4	2	"InChI=1S/C12H10O2S2/c1-13-9-7-3-5-16-12(7)10(14-2)8-4-6-15-11(8)9/h3-6H,1-2H3"	COC1=C2C=CSC2=C(C3=C1SC=C3)OC	DJAREVVDYFIGBP-UHFFFAOYSA-N
DG56887	"1-(Dimethylamino)-4-methyl-6-oxopiperidine-2,2,3,3-tetracarbonitrile"	387777	"NSC681850; 1-(dimethylamino)-4-methyl-6-oxopiperidine-2,2,3,3-tetracarbonitrile; TimTec1_003666; 132797-08-1; CHEMBL1999479; DTXSID00327749; HMS1544G14; STK523087; AKOS005458369; MCULE-4096920800; NSC-681850; NCI60_029288; 1-dimethylamino-5,5,6,6-tetracyano-4-methyl-piperidin-2-one; 1-(Dimethylamino)-4-methyl-6-oxo-2,2,3,3-piperidinetetracarbonitrile; 1-(dimethylamino)-4-methyl-6-oxo-piperidine-2,2,3,3-tetracarbonitrile; Piperidine-2,3,3-tetracarbonitrile, 1-(dimethylamino)-4-methyl-6-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681850	.	.	.	.	256.26	C12H12N6O	119	580	-0.4	19	0	6	1	"InChI=1S/C12H12N6O/c1-9-4-10(19)18(17(2)3)12(7-15,8-16)11(9,5-13)6-14/h9H,4H2,1-3H3"	CC1CC(=O)N(C(C1(C#N)C#N)(C#N)C#N)N(C)C	YCKSWHYIGGXBDZ-UHFFFAOYSA-N
DG56888	"2,5-Dimethyl-3,4-dihydrocyclopenta[e][1,2,4]triazine-6,6,7,7-tetracarbonitrile"	387779	"NSC681852; 2,5-Dimethyl-3,4-dihydro-2H-cyclopenta[e][1,2,4]triazine-6,6,7,7-tetracarbonitrile; CHEMBL2001208; STK674202; AKOS005593538; ZINC100065639; MCULE-9157912577; NSC-681852; 2,5-dimethyl-3,4-dihydrocyclopenta[e][1,2,4]triazine-6,6,7,7-tetracarbonitrile; NCI60_029290; SR-01000519384; SR-01000519384-1; 2H-Cyclopenta[e]-1,4-triazine-6,6,7,7-tetracarbonitrile, 3,4,6,7-tetrahydro-2,5-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681852	.	.	.	.	251.25	C12H9N7	123	685	0	19	1	7	0	"InChI=1S/C12H9N7/c1-8-9-10(18-19(2)7-17-9)12(5-15,6-16)11(8,3-13)4-14/h17H,7H2,1-2H3"	CC1=C2C(=NN(CN2)C)C(C1(C#N)C#N)(C#N)C#N	JVIYOJRAKKTXDR-UHFFFAOYSA-N
DG56889	"4-Ethyl-3-(methylamino)-5-propyl-1,1,2,2-cyclopentanetetracarbonitrile"	387787	"NSC681859; CHEMBL1994703; NSC-681859; NCI60_029295; 4-Ethyl-3-(methylamino)-5-propyl-1,1,2,2-cyclopentanetetracarbonitrile; 4-ethyl-3-(methylamino)-5-propyl-cyclopentane-1,1,2,2-tetracarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681859	.	.	.	.	269.34	C15H19N5	107	536	2.2	20	1	5	4	"InChI=1S/C15H19N5/c1-4-6-12-11(5-2)13(20-3)15(9-18,10-19)14(12,7-16)8-17/h11-13,20H,4-6H2,1-3H3"	CCCC1C(C(C(C1(C#N)C#N)(C#N)C#N)NC)CC	CBPMQDCQORYHLO-UHFFFAOYSA-N
DG56890	"3-Imino-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile"	387791	"NSC681863; 3-Imino-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile; CHEMBL1991495; STL321802; AKOS022104413; MCULE-4945311169; NSC-681863; NCI60_029299; 3-imino-5-methyl-4,7,7-tricyano-2-oxabicyclo[2,2,1]heptane; 134285-16-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681863	.	.	.	.	200.2	C10H8N4O	104	479	0.2	15	1	5	0	"InChI=1S/C10H8N4O/c1-6-2-7-9(3-11,4-12)10(6,5-13)8(14)15-7/h6-7,14H,2H2,1H3"	CC1CC2C(C1(C(=N)O2)C#N)(C#N)C#N	LVPLGJCWQLAVSY-UHFFFAOYSA-N
DG56891	"5-Amino-2-(1-methylethyl)-3,3,4(2H)-furantricarbonitrile"	387792	"NSC681864; CHEMBL1967921; NSC-681864; NCI60_029300; 5-amino-2-isopropyl-2H-furan-3,3,4-tricarbonitrile; 5-Amino-2-isopropyl-3,3,4(2H)-furantricarbonitrile; 5-Amino-2-(1-methylethyl)-3,3,4(2H)-furantricarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681864	.	.	.	.	202.21	C10H10N4O	107	445	0.9	15	1	5	1	"InChI=1S/C10H10N4O/c1-6(2)8-10(4-12,5-13)7(3-11)9(14)15-8/h6,8H,14H2,1-2H3"	CC(C)C1C(C(=C(O1)N)C#N)(C#N)C#N	NWSIKXMQUQTYMS-UHFFFAOYSA-N
DG56892	"5-amino-2-(3-nitrophenyl)-2H-furan-3,3,4-tricarbonitrile"	387793	"NSC681865; 5-amino-2-(3-nitrophenyl)-2H-furan-3,3,4-tricarbonitrile; CHEMBL1980971; NSC-681865; NCI60_029301; 5-Amino-2-(3-nitrophenyl)-3,3,4(2H)-furantricarbonitrile; 2-(3-nitrophenyl)-3,3,4-tricyano-5-amino-2,3-dihydrofuran; 5-Amino-2-(3-(hydroxy(oxido)amino)phenyl)-3,3,4(2H)-furantricarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681865	.	.	.	.	281.23	C13H7N5O3	152	634	0.9	21	1	7	1	"InChI=1S/C13H7N5O3/c14-5-10-12(17)21-11(13(10,6-15)7-16)8-2-1-3-9(4-8)18(19)20/h1-4,11H,17H2"	C1=CC(=CC(=C1)[N+](=O)[O-])C2C(C(=C(O2)N)C#N)(C#N)C#N	DWWNSYZALARLDF-UHFFFAOYSA-N
DG56893	"5-amino-2-(4-nitrophenyl)-2H-furan-3,3,4-tricarbonitrile"	387794	"NSC681866; 5-amino-2-(4-nitrophenyl)-2H-furan-3,3,4-tricarbonitrile; NCIChal_000027; CHEMBL2004403; C13H7N5O3; 5-amino-2-(4-nitrophenyl)furan-3,3,4(2H)-tricarbonitrile; STL233666; AKOS025273713; MCULE-7961730702; NSC-681866; 213836-67-0; NCI60_029302; 5-Amino-2-(4-(hydroxy(oxido)amino)phenyl)-3,3,4(2H)-furantricarbonitrile; Furan-3,4-tricarbonitrile, 5-amino-2,3-dihydro- 2-(4-nitrophenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681866	.	.	.	.	281.23	C13H7N5O3	152	626	0.9	21	1	7	1	"InChI=1S/C13H7N5O3/c14-5-10-12(17)21-11(13(10,6-15)7-16)8-1-3-9(4-2-8)18(19)20/h1-4,11H,17H2"	C1=CC(=CC=C1C2C(C(=C(O2)N)C#N)(C#N)C#N)[N+](=O)[O-]	NPCAWLJGJWCOSP-UHFFFAOYSA-N
DG56894	"2-imino-10-methyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile"	387807	"NSC681879; imino(methyl)[ ]tricarbonitrile; CHEMBL1967997; HMS1620O06; STK761190; AKOS001727136; MCULE-1323199901; NSC-681879; NCI60_029315; SR-01000526306; SR-01000526306-1; 2-imino-10-methyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile; 7,7-dicyano-9-imino-12-methyl-10,11-dioxatricyclo[6.2.2.0~1,6~]dodec-8-yl cyanide; 8a,3-(Epoxymethano)-8aH-1-benzopyran-3,4,4(2H,6H)-tricarbonitrile, tetrahydro-2-imino-10-methyl-; 95059-21-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681879	.	.	.	.	270.29	C14H14N4O2	114	628	0.9	20	1	6	0	"InChI=1S/C14H14N4O2/c1-9-13(8-17)11(18)20-14(19-9)5-3-2-4-10(14)12(13,6-15)7-16/h9-10,18H,2-5H2,1H3"	CC1C2(C(=N)OC3(O1)CCCCC3C2(C#N)C#N)C#N	ZZCWZTUTWMUMIA-UHFFFAOYSA-N
DG56895	"8a,3-(Epoxymethano)-8aH-1-benzopyran-3,4,4(2H,6H)-tricarbonitrile, tetrahydro-2-imino-10-(1-methylethyl)-"	387808	"NSC681880; CHEMBL1997414; imino(isopropyl)[ ]tricarbonitrile; AKOS030513871; MCULE-6542877280; NSC-681880; NCI60_029316; 11-Lmino-10-(1-methylethyl)-9,12-dioxatricyclo[6.2.2.0(3,8)]dodecane-1,2,2-tricarbonitrile; 8a,3-(Epoxymethano)-8aH-1-benzopyran-3,4,4(2H,6H)-tricarbonitrile, tetrahydro-2-imino-10-(1-methylethyl)-; 95059-24-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681880	.	.	.	.	298.34	C16H18N4O2	114	671	1.9	22	1	6	1	"InChI=1S/C16H18N4O2/c1-10(2)12-15(9-19)13(20)22-16(21-12)6-4-3-5-11(16)14(15,7-17)8-18/h10-12,20H,3-6H2,1-2H3"	CC(C)C1C2(C(=N)OC3(O1)CCCCC3C2(C#N)C#N)C#N	SAXXWQJHVLCOKN-UHFFFAOYSA-N
DG56896	"9-Imino-12-phenyl-10,11-dioxa-tricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile"	387810	"NSC681882; imino(phenyl)[ ]tricarbonitrile; CHEMBL2001323; STK529743; AKOS005462686; MCULE-1652833258; NSC-681882; NCI60_029318; 2-imino-10-phenyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile; 9-Imino-12-phenyl-10,11-dioxa-tricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile; 8a,3-(Epoxymethano)-8aH-1-benzopyran-3,4,4(2H,6H)-tricarbonitrile, tetrahydro-2-imino-10-phenyl-; 95059-26-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681882	.	.	.	.	332.4	C19H16N4O2	114	742	2	25	1	6	1	"InChI=1S/C19H16N4O2/c20-10-17(11-21)14-8-4-5-9-19(14)24-15(13-6-2-1-3-7-13)18(17,12-22)16(23)25-19/h1-3,6-7,14-15,23H,4-5,8-9H2"	C1CCC23C(C1)C(C(C(O2)C4=CC=CC=C4)(C(=N)O3)C#N)(C#N)C#N	YDHPTFXGAJFNQY-UHFFFAOYSA-N
DG56897	"(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methyl acetate"	387842	"NSC682002; CHEMBL1964542; (4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methyl acetate; (4-Cyano-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazol-3-yl)methyl acetate; NSC-682002; NCI60_029349"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682002	.	.	.	.	281.27	C15H11N3O3	82.4	611	0.5	21	1	5	3	"InChI=1S/C15H11N3O3/c1-9(19)21-8-10-6-14(20)18-13-5-3-2-4-12(13)17-15(18)11(10)7-16/h2-6,17H,8H2,1H3"	CC(=O)OCC1=CC(=O)N2C3=CC=CC=C3NC2=C1C#N	GJJIVDHXMASVGX-UHFFFAOYSA-N
DG56898	"11-Morpholino-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile"	387848	"NSC682008; 329709-09-3; 11-morpholino-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile; 11-(morpholin-4-yl)-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile; Oprea1_603174; Oprea1_762877; MLS000708334; CHEMBL1983629; ZINC45604; CCG-41154; STK110077; AKOS000561602; MCULE-5835555094; NSC-682008; 11-morpholin-4-yl-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile; UPCMLD0ENAT5772087:001; NCI60_029355; SMR000287801; UNM000000656301; SR-01000631251-1; F1126-0259; 11-(4-Morpholinyl)-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile; 11-Morpholin-4-yl-7,8,9,10-tetrahydro-benzo[4,5]imidazo[1,2-b]isoquinoline-6-car; 11-morpholino-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile; 11-morpholino-7,8,9,10-tetrahydrobenzo[4,5]imidazo[1,2-b]isoquinoline-6-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682008	.	.	.	.	332.4	C20H20N4O	53.6	539	4.4	25	0	4	1	"InChI=1S/C20H20N4O/c21-13-16-14-5-1-2-6-15(14)20(23-9-11-25-12-10-23)24-18-8-4-3-7-17(18)22-19(16)24/h3-4,7-8H,1-2,5-6,9-12H2"	C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)N5CCOCC5	UWKMGBPWOMPPFO-UHFFFAOYSA-N
DG56899	"11-(4-Methylanilino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile"	387849	"NSC682009; 251983-44-5; 11-(p-tolylamino)-7,8,9,10-tetrahydrobenzo[4,5]imidazo[1,2-b]isoquinoline-6-carbonitrile; 11-(4-Toluidino)-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile; 11-[(4-methylphenyl)amino]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile; 9-[(4-methylphenyl)amino]-10,17-diazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(17),2,8,11(16),12,14-hexaene-2-carbonitrile; Oprea1_486606; CHEMBL1973506; ZINC941786; MFCD02366919; STK108011; AKOS002170369; MCULE-8586099839; NSC-682009; 11-(4-methylanilino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile; NCI60_029356; F1092-0314; 6,7,8,9-Tetrahydro-4b,11-diaza-5-(4-methylanilino)-4bH-benzo[b]fluorene-10-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682009	.	.	.	.	352.4	C23H20N4	53.1	574	6.5	27	1	3	2	"InChI=1S/C23H20N4/c1-15-10-12-16(13-11-15)25-22-18-7-3-2-6-17(18)19(14-24)23-26-20-8-4-5-9-21(20)27(22)23/h4-5,8-13,25H,2-3,6-7H2,1H3"	CC1=CC=C(C=C1)NC2=C3CCCCC3=C(C4=NC5=CC=CC=C5N24)C#N	JHERFNLEIUWPFX-UHFFFAOYSA-N
DG56900	"11-[(4-Chlorophenyl)amino]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile"	387850	"NSC682010; 11-[(4-Chlorophenyl)amino]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile; Oprea1_131786; Oprea1_190189; CHEMBL1997563; ZINC1241208; STK108506; STL037495; AKOS003063621; AKOS005691120; ZINC102858234; MCULE-5191220917; NSC-682010; 11-(4-chloroanilino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile; NCI60_029357; 11-(4-chloroanilino)-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile; 6,7,8,9-Tetrahydro-4b,11-diaza-5-(4-chloroanilino)-4bH-benzo[b]fluorene-10-carbonitrile; (11E)-11-[(4-chlorophenyl)imino]-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile; 251983-45-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682010	.	.	.	.	372.8	C22H17ClN4	53.1	580	6.8	27	1	3	2	"InChI=1S/C22H17ClN4/c23-14-9-11-15(12-10-14)25-21-17-6-2-1-5-16(17)18(13-24)22-26-19-7-3-4-8-20(19)27(21)22/h3-4,7-12,25H,1-2,5-6H2"	C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)NC5=CC=C(C=C5)Cl	KVGHMXCQKBILTM-UHFFFAOYSA-N
DG56901	"11-(4-Fluoroanilino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile"	387851	"NSC682011; NSC-682011; MLS002702335; Oprea1_587000; CHEMBL1727899; ZINC941791; MFCD02366940; STK963923; AKOS002387935; MCULE-5560634246; 11-(4-fluoroanilino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile; 11-[(4-fluorophenyl)amino]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile; NCI60_029358; SMR001565897; Benzimidazo[1, 7,8,9,10-tetrahydro-11-[(4-fluorophenyl)amino]-; 11-(4-Fluoroanilino)-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682011	.	.	.	.	356.4	C22H17FN4	53.1	580	6.3	27	1	4	2	"InChI=1S/C22H17FN4/c23-14-9-11-15(12-10-14)25-21-17-6-2-1-5-16(17)18(13-24)22-26-19-7-3-4-8-20(19)27(21)22/h3-4,7-12,25H,1-2,5-6H2"	C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)NC5=CC=C(C=C5)F	WSRXXOKBOGAAQK-UHFFFAOYSA-N
DG56902	"21,23-[Bis(2-hydroxyethoxy)phosphinidene]-5,10,15,20-tetraphenyl-21H,23H-porphyrin"	387853	"NSC682066; 141998-10-9; CHEMBL2369103; ZINC95550807; NCI60_029359; J3.525.933C; 2-[2-hydroxyethoxy(tetraphenyl)[ ]yl]oxyethanol; 21,23-[Bis(2-hydroxyethoxy)phosphinidene]-5,10,15,20-tetraphenyl-21H,23H-porphyrin; 21,23-[Bis(2-hydroxyethoxy)phosphoranediyl]-5,10,15,20-tetraphenyl-21H,23H-porphyrin; (1Z,6Z,12Z,17Z)-22,22-Bis(2-hydroxyethoxy)-2,7,12,17-tetraphenyl-21,23,24,25-tetraaza-22-phosphoniahexacyclo[9.9.3.1~3,6~.1~13,16~.0~8,23~.0~18,21~]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682066	.	.	.	.	765.8	C48H38N4O4P+	93.5	1420	9.1	57	2	6	10	"InChI=1S/C48H38N4O4P/c53-29-31-55-57(56-32-30-54)51-41-25-26-42(51)47(35-17-9-3-10-18-35)39-23-24-40(50-39)48(36-19-11-4-12-20-36)44-28-27-43(52(44)57)46(34-15-7-2-8-16-34)38-22-21-37(49-38)45(41)33-13-5-1-6-14-33/h1-28,53-54H,29-32H2/q+1"	C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC5=C(C6=NC(=C(C7=CC=C2N7[P+](N45)(OCCO)OCCO)C8=CC=CC=C8)C=C6)C9=CC=CC=C9)C1=CC=CC=C1	LIGNNKKDLZRIPV-UHFFFAOYSA-N
DG56903	NSC682067	387854	"2-[2-[[22-[2-(2-Hydroxyethoxy)ethoxy]-2,7,12,17-tetraphenyl-21,23,24,25-tetraza-22-phosphoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1(20),2,4,6(25),7,9,11,13(24),14,16,18-undecaen-22-yl]oxy]ethoxy]ethanol;chloride; NSC682067; 159334-67-5; CHEMBL2067973; NSC-682067; Phosphorus(1+) bis[[2,10,15,20-tetraphenyl-21H,23H-porphinato(2-)- N(21),N(22),N(23),N(24)]-, chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682067	.	.	.	.	889.4	C52H46ClN4O6P	112	1520	.	64	2	9	16	"InChI=1S/C52H46N4O6P.ClH/c57-29-31-59-33-35-61-63(62-36-34-60-32-30-58)55-45-25-26-46(55)51(39-17-9-3-10-18-39)43-23-24-44(54-43)52(40-19-11-4-12-20-40)48-28-27-47(56(48)63)50(38-15-7-2-8-16-38)42-22-21-41(53-42)49(45)37-13-5-1-6-14-37;/h1-28,57-58H,29-36H2;1H/q+1;/p-1"	C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC5=C(C6=NC(=C(C7=CC=C2N7[P+](N45)(OCCOCCO)OCCOCCO)C8=CC=CC=C8)C=C6)C9=CC=CC=C9)C1=CC=CC=C1.[Cl-]	ZYVRCAXRVADBSQ-UHFFFAOYSA-M
DG56904	"6-bromo-2-[(4-chlorophenyl)methyl]-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one"	387858	"NSC682069; CHEMBL2005026; ZINC1648045; 6-bromo-2-[(4-chlorophenyl)methyl]-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one; AKOS016035337; NSC-682069; NCI60_029362; 6-Bromo-2-(4-chlorobenzyl)-2,3,4,9-tetrahydro-1H-.beta.-carbolin-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682069	.	.	.	.	389.7	C18H14BrClN2O	36.1	454	4.7	23	1	1	2	"InChI=1S/C18H14BrClN2O/c19-12-3-6-16-15(9-12)14-7-8-22(18(23)17(14)21-16)10-11-1-4-13(20)5-2-11/h1-6,9,21H,7-8,10H2"	C1CN(C(=O)C2=C1C3=C(N2)C=CC(=C3)Br)CC4=CC=C(C=C4)Cl	KMEXYEFPZGXTTR-UHFFFAOYSA-N
DG56905	"S-(2-(1,2-Dihydro-3-acenaphthylenylamino)-2-oxoethyl) thiocarbamate"	387859	"NSC682070; CHEMBL1995730; ZINC1648046; NSC-682070; NCI60_029363; S-(2-(1,2-Dihydro-3-acenaphthylenylamino)-2-oxoethyl) thiocarbamate; S-[2-(1,2-dihydroacenaphthylen-3-ylamino)-2-oxo-ethyl] carbamothioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682070	.	.	.	.	286.4	C15H14N2O2S	97.5	401	2.5	20	2	3	4	"InChI=1S/C15H14N2O2S/c16-15(19)20-8-13(18)17-12-7-5-10-3-1-2-9-4-6-11(12)14(9)10/h1-3,5,7H,4,6,8H2,(H2,16,19)(H,17,18)"	C1CC2=C(C=CC3=C2C1=CC=C3)NC(=O)CSC(=O)N	HDJGVLFSLRJOCK-UHFFFAOYSA-N
DG56906	"2-[(2,4-dichlorophenyl)-(imidazol-1-ylmethoxy)methyl]-1H-benzimidazole"	387861	"NSC682072; CHEMBL1990686; 2-[(2,4-dichlorophenyl)-(imidazol-1-ylmethoxy)methyl]-1H-benzimidazole; NSC-682072; NCI60_029365; 2-((2,4-Dichlorophenyl)(1H-imidazol-1-ylmethoxy)methyl)-1H-benzimidazole; 1H-Benzimidazol-2-yl(2,4-dichlorophenyl)methyl 1H-imidazol-1-ylmethyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682072	.	.	.	.	373.2	C18H14Cl2N4O	55.7	443	3.9	25	1	3	5	"InChI=1S/C18H14Cl2N4O/c19-12-5-6-13(14(20)9-12)17(25-11-24-8-7-21-10-24)18-22-15-3-1-2-4-16(15)23-18/h1-10,17H,11H2,(H,22,23)"	C1=CC=C2C(=C1)NC(=N2)C(C3=C(C=C(C=C3)Cl)Cl)OCN4C=CN=C4	ZBWKROZHSABEDR-UHFFFAOYSA-N
DG56907	"3,5-Dihydrodinaphtho[2,1-c:1,2-e]thiepine"	387863	"NSC682074; CHEMBL1983818; NSC-682074; NCI60_029367; 3,5-Dihydrodinaphtho[2,1-c:1,2-e]thiepine; (aR)-2,2'-(Thiobismethylene)-1,1'-binaphthalene; 3,5-Dihydro-4-thia-4H-cyclohepta[2,1-a:3,4-a']dinaphthalene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682074	.	.	.	.	312.4	C22H16S	25.3	380	6.1	23	0	1	0	"InChI=1S/C22H16S/c1-3-7-19-15(5-1)9-11-17-13-23-14-18-12-10-16-6-2-4-8-20(16)22(18)21(17)19/h1-12H,13-14H2"	C1C2=C(C3=CC=CC=C3C=C2)C4=C(CS1)C=CC5=CC=CC=C54	OGYUAGGBMMVBML-UHFFFAOYSA-N
DG56908	1-[4-(4-Chlorophenoxy)phenyl]-3-(diethylamino)propan-1-one	387868	"NSC682077; CHEMBL1994821; NSC-682077; 1-[4-(4-chlorophenoxy)phenyl]-3-(diethylamino)propan-1-one; 1-Propanone, 1-[4-(4-chlorophenoxy)phenyl]-3-(diethylamino)-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682077	.	.	.	.	368.3	C19H23Cl2NO2	29.5	343	.	24	1	3	8	"InChI=1S/C19H22ClNO2.ClH/c1-3-21(4-2)14-13-19(22)15-5-9-17(10-6-15)23-18-11-7-16(20)8-12-18;/h5-12H,3-4,13-14H2,1-2H3;1H"	CCN(CC)CCC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl.Cl	INXRHPSFTNIISZ-UHFFFAOYSA-N
DG56909	"2,6-Bis(4-fluorophenyl)-3,7-bis(4-methoxyphenyl)tetrahydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dione"	387871	"NSC682086; CHEMBL1994360; NSC-682086; 2,6-bis(4-fluorophenyl)-1,5-bis(4-methoxyphenyl)-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione; 2,6-Bis(4-fluorophenyl)-3,7-bis(4-methoxyphenyl)tetrahydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dione; NCI60_029373"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682086	.	.	.	.	542.5	C30H24F2N4O4	65.6	824	5.5	40	0	6	6	"InChI=1S/C30H24F2N4O4/c1-39-25-15-3-19(4-16-25)27-33(23-11-7-21(31)8-12-23)29(37)36-28(20-5-17-26(40-2)18-6-20)34(30(38)35(27)36)24-13-9-22(32)10-14-24/h3-18,27-28H,1-2H3"	COC1=CC=C(C=C1)C2N(C(=O)N3N2C(=O)N(C3C4=CC=C(C=C4)OC)C5=CC=C(C=C5)F)C6=CC=C(C=C6)F	AUEFFOBBENIKBB-UHFFFAOYSA-N
DG56910	N-benzyl-1-[10-[4-(benzylamino)-2-methylquinolin-1-ium-1-yl]decyl]-2-methylquinolin-1-ium-4-amine;perchlorate	387881	"NSC682094; NSC-682094; Quinolinium,1'-(1,10-decanediyl)bis[(2-methyl- 4-(phenylmethylamino)-, diperchlorate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682094	.	.	.	.	736.4	C44H52ClN4O4+	106	892	.	53	2	6	17	"InChI=1S/C44H50N4.ClHO4/c1-35-31-41(45-33-37-21-11-9-12-22-37)39-25-15-17-27-43(39)47(35)29-19-7-5-3-4-6-8-20-30-48-36(2)32-42(40-26-16-18-28-44(40)48)46-34-38-23-13-10-14-24-38;2-1(3,4)5/h9-18,21-28,31-32H,3-8,19-20,29-30,33-34H2,1-2H3;(H,2,3,4,5)/p+1"	CC1=[N+](C2=CC=CC=C2C(=C1)NCC3=CC=CC=C3)CCCCCCCCCC[N+]4=C(C=C(C5=CC=CC=C54)NCC6=CC=CC=C6)C.[O-]Cl(=O)(=O)=O	NKVCRJQSZFQRES-UHFFFAOYSA-O
DG56911	"1-[10-[4-(dimethylamino)-2-methylquinolin-1-ium-1-yl]decyl]-N,N,2-trimethylquinolin-1-ium-4-amine;perchlorate"	387883	"NSC682095; NSC-682095; Quinolinium,1'-(1,10-decanediyl)bis[4-(dimethylamino)- 2-methyl-, diperchlorate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682095	.	.	.	.	612.2	C34H48ClN4O4+	88.5	705	.	43	0	6	13	"InChI=1S/C34H48N4.ClHO4/c1-27-25-33(35(3)4)29-19-13-15-21-31(29)37(27)23-17-11-9-7-8-10-12-18-24-38-28(2)26-34(36(5)6)30-20-14-16-22-32(30)38;2-1(3,4)5/h13-16,19-22,25-26H,7-12,17-18,23-24H2,1-6H3;(H,2,3,4,5)/q+2;/p-1"	CC1=[N+](C2=CC=CC=C2C(=C1)N(C)C)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N(C)C)C.[O-]Cl(=O)(=O)=O	SMAYEIXANKBOES-UHFFFAOYSA-M
DG56912	"Quinolinium, chloride, monohydrochloride"	387885	"NSC682096; CHEMBL1988486; NSC-682096; Quinolinium, chloride, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682096	.	.	.	.	527.6	C30H40Cl2N4	54.8	568	.	36	3	4	12	"InChI=1S/C30H38N4.2ClH/c1-23-21-29(26-16-9-11-17-28(26)33-23)32-19-13-7-5-3-4-6-8-14-20-34-24(2)22-27(31)25-15-10-12-18-30(25)34;;/h9-12,15-18,21-22,31H,3-8,13-14,19-20H2,1-2H3,(H,32,33);2*1H"	CC1=NC2=CC=CC=C2C(=C1)NCCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.Cl.[Cl-]	ALCZFNAXYRDMKQ-UHFFFAOYSA-N
DG56913	NSC682097	387887	1-[10-[[1-[10-(4-Amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-yl]amino]decyl]-2-methylquinolin-1-ium-4-amine;iodide; NSC682097; NSC-682097	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682097	.	.	.	.	881	C50H69IN6+2	75.7	1050	.	57	3	4	23	"InChI=1S/C50H66N6.HI/c1-39-36-45(51)42-26-16-19-29-48(42)54(39)33-23-13-9-5-4-8-12-22-32-53-47-38-41(3)56(50-31-21-18-28-44(47)50)35-25-15-11-7-6-10-14-24-34-55-40(2)37-46(52)43-27-17-20-30-49(43)55;/h16-21,26-31,36-38,51-52H,4-15,22-25,32-35H2,1-3H3;1H/p+2"	CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCCNC3=CC(=[N+](C4=CC=CC=C43)CCCCCCCCCC[N+]5=C(C=C(C6=CC=CC=C65)N)C)C.[I-]	VFWWIQIGFZFVPZ-UHFFFAOYSA-P
DG56914	2-Methyl-1-[10-(2-methyl-4-oxoquinolin-1-yl)decyl]quinolin-4-one	387889	NSC682098; CHEMBL1973397; NSC-682098; NCI60_029385	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682098	.	.	.	.	456.6	C30H36N2O2	40.6	706	7.5	34	0	4	11	"InChI=1S/C30H36N2O2/c1-23-21-29(33)25-15-9-11-17-27(25)31(23)19-13-7-5-3-4-6-8-14-20-32-24(2)22-30(34)26-16-10-12-18-28(26)32/h9-12,15-18,21-22H,3-8,13-14,19-20H2,1-2H3"	CC1=CC(=O)C2=CC=CC=C2N1CCCCCCCCCCN3C(=CC(=O)C4=CC=CC=C43)C	NILWCEHLEMQHIK-UHFFFAOYSA-N
DG56915	Methyl 2-[3-(2-methylsulfanyl-2-thioxo-acetyl)-5-propanoyl-phenyl]-2-oxo-ethanedithioate	387896	"NSC682127; CHEMBL1967502; NSC-682127; NCI60_029387; Benzene-1, .alpha.,.alpha.'- dioxo-5-(1-oxopropyl)-, dimethyl ester; methyl 2-[3-(2-methylsulfanyl-2-thioxo-acetyl)-5-propanoyl-phenyl]-2-oxo-ethanedithioate; 1,3-Benzenediethane(dithioic) acid, .alpha.,.alpha.'-dioxo-5-(1-oxopropyl)-, dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682127	.	.	.	.	370.5	C15H14O3S4	166	465	3.8	22	0	7	8	"InChI=1S/C15H14O3S4/c1-4-11(16)8-5-9(12(17)14(19)21-2)7-10(6-8)13(18)15(20)22-3/h5-7H,4H2,1-3H3"	CCC(=O)C1=CC(=CC(=C1)C(=O)C(=S)SC)C(=O)C(=S)SC	RHXJKHMQVJWPIB-UHFFFAOYSA-N
DG56916	"1,3-Dimethyl-2-phenyl-5-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyrrole-4,6-dione"	387906	"NSC682138; CHEMBL1971448; NSC-682138; NCI60_029397; 1,3-dimethyl-2-phenyl-5-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyrrole-4,6-dione; 4,6-Dimethyl-5-phenyl-2-(4-(4-phenyl-1-piperazinyl)butyl)pyrrolo[3,4-c]pyrrole-1,3(2H,5H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682138	.	.	.	.	456.6	C28H32N4O2	48.8	681	4.4	34	0	4	7	"InChI=1S/C28H32N4O2/c1-21-25-26(22(2)32(21)24-13-7-4-8-14-24)28(34)31(27(25)33)16-10-9-15-29-17-19-30(20-18-29)23-11-5-3-6-12-23/h3-8,11-14H,9-10,15-20H2,1-2H3"	CC1=C2C(=C(N1C3=CC=CC=C3)C)C(=O)N(C2=O)CCCCN4CCN(CC4)C5=CC=CC=C5	ZIUHEKBIGWNVLN-UHFFFAOYSA-N
DG56917	3-(Chloromethyl)-1-methylsulfonyl-6-nitro-indoline	387910	NSC682142; 3-(chloromethyl)-1-methylsulfonyl-6-nitro-indoline; CHEMBL1964898; NSC-682142; NCI60_029400; 3-(Chloromethyl)-6-(hydroxy(oxido)amino)-1-(methylsulfonyl)indoline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682142	.	.	.	.	290.72	C10H11ClN2O4S	91.6	430	1.3	18	0	5	2	"InChI=1S/C10H11ClN2O4S/c1-18(16,17)12-6-7(5-11)9-3-2-8(13(14)15)4-10(9)12/h2-4,7H,5-6H2,1H3"	CS(=O)(=O)N1CC(C2=C1C=C(C=C2)[N+](=O)[O-])CCl	KQFWWSNHFKWFQO-UHFFFAOYSA-N
DG56918	"[3-(chloromethyl)-6-nitro-2,3-dihydroindol-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone"	387911	NSC682144; CHEMBL284582; SCHEMBL8483428; NSC-682144; NCI60_029401	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682144	.	.	.	.	445.9	C21H20ClN3O6	110	678	3.6	31	1	6	5	"InChI=1S/C21H20ClN3O6/c1-29-17-7-11-6-15(23-18(11)20(31-3)19(17)30-2)21(26)24-10-12(9-22)14-5-4-13(25(27)28)8-16(14)24/h4-8,12,23H,9-10H2,1-3H3"	COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl)OC)OC	AUXOUNCEXATLHW-UHFFFAOYSA-N
DG56919	Methyl isonuapauanoate	387914	Methyl isonuapauanoate; CHEMBL1983049; NSC682148; NSC-682148; NCI60_029403	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682148	.	.	.	.	338.5	C20H34O4	44.8	470	4.9	24	0	4	6	"InChI=1S/C20H34O4/c1-14-8-7-11-19(3,4)16(14)9-12-20(5)13-10-17(23-24-20)15(2)18(21)22-6/h15-17H,1,7-13H2,2-6H3"	CC(C1CCC(OO1)(C)CCC2C(=C)CCCC2(C)C)C(=O)OC	MYBJZJMUOIRKIX-UHFFFAOYSA-N
DG56920	"4-Hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]quinoline-5,10-dione"	387917	"NSC682222; 4-Hydroxy-2,2-dimethyl-3,4-dihydro-2H-pyrano[3,2-g]quinoline-5,10-dione; CHEMBL445166; 4-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]quinoline-5,10-dione; NSC-682222; NCI60_029405"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682222	.	.	.	.	259.26	C14H13NO4	76.5	480	0.8	19	1	5	0	"InChI=1S/C14H13NO4/c1-14(2)6-8(16)9-11(17)7-4-3-5-15-10(7)12(18)13(9)19-14/h3-5,8,16H,6H2,1-2H3"	CC1(CC(C2=C(O1)C(=O)C3=C(C2=O)C=CC=N3)O)C	JTPFBOKGRLIYEO-UHFFFAOYSA-N
DG56921	"4-Hydroxy-2,2,6-trimethyl-3,4-dihydro-2H-pyrano[3,2-g]quinoline-5,10-dione"	387918	"NSC682223; 4-Hydroxy-2,2,6-trimethyl-3,4-dihydro-2H-pyrano[3,2-g]quinoline-5,10-dione; CHEMBL1987689; 4-hydroxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-g]quinoline-5,10-dione; NSC-682223; NCI60_029406; 2H-Pyrano[3,10-dione, 4-hydroxy- 2,2,6-trimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682223	.	.	.	.	273.28	C15H15NO4	76.5	508	1.2	20	1	5	0	"InChI=1S/C15H15NO4/c1-7-4-5-16-11-9(7)12(18)10-8(17)6-15(2,3)20-14(10)13(11)19/h4-5,8,17H,6H2,1-3H3"	CC1=C2C(=NC=C1)C(=O)C3=C(C2=O)C(CC(O3)(C)C)O	ZFWMBDFXZOAQEP-UHFFFAOYSA-N
DG56922	"Ethyl 7-chloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate"	387920	"4829-67-8; ETHYL 7-CHLORO-3-OXO-3,4-DIHYDROQUINOXALINE-2-CARBOXYLATE; NSC682225; ETHYL7-CHLORO-3-OXO-3,4-DIHYDROQUINOXALINE-2-CARBOXYLATE; SCHEMBL9704059; CHEMBL1984002; DTXSID10327750; ZINC1648090; ZB1337; NSC-682225; NCI60_029408; Ethyl 7-chloro-3-hydroxy-2-quinoxalinecarboxylate; ethyl 7-chloro-3-hydroxy-quinoxaline-2-carboxylate; ethyl 7-chloro-3,4-dihydro-3-oxoquinoxaline-2-carboxylate; 3,4-Dihydro-7-chloro-3-oxoquinoxaline-2-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682225	.	.	.	.	252.65	C11H9ClN2O3	67.8	370	2	17	1	4	3	"InChI=1S/C11H9ClN2O3/c1-2-17-11(16)9-10(15)14-7-4-3-6(12)5-8(7)13-9/h3-5H,2H2,1H3,(H,14,15)"	CCOC(=O)C1=NC2=C(C=CC(=C2)Cl)NC1=O	QLQSEGZUZAKTPM-UHFFFAOYSA-N
DG56923	"1,4-Bis[3-[3-(1-naphthyl)ureido]propyl]piperazine"	387929	"NSC682234; CHEMBL1983754; ZINC22864058; AKOS024382800; MCULE-3952183712; NSC-682234; NCI60_029417; 1,4-Bis[3-[3-(1-naphthyl)ureido]propyl]piperazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682234	.	.	.	.	538.7	C32H38N6O2	88.7	723	4.7	40	4	4	10	"InChI=1S/C32H38N6O2/c39-31(35-29-15-5-11-25-9-1-3-13-27(25)29)33-17-7-19-37-21-23-38(24-22-37)20-8-18-34-32(40)36-30-16-6-12-26-10-2-4-14-28(26)30/h1-6,9-16H,7-8,17-24H2,(H2,33,35,39)(H2,34,36,40)"	C1CN(CCN1CCCNC(=O)NC2=CC=CC3=CC=CC=C32)CCCNC(=O)NC4=CC=CC5=CC=CC=C54	JLVXZOXKBTUPCY-UHFFFAOYSA-N
DG56924	1-Naphthalen-1-yl-3-[8-(naphthalen-1-ylcarbamoylamino)octyl]urea	387932	NSC682237; CHEMBL1982350; NSC-682237; NCI60_029420	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682237	.	.	.	.	482.6	C30H34N4O2	82.3	615	6.6	36	4	2	11	"InChI=1S/C30H34N4O2/c35-29(33-27-19-11-15-23-13-5-7-17-25(23)27)31-21-9-3-1-2-4-10-22-32-30(36)34-28-20-12-16-24-14-6-8-18-26(24)28/h5-8,11-20H,1-4,9-10,21-22H2,(H2,31,33,35)(H2,32,34,36)"	C1=CC=C2C(=C1)C=CC=C2NC(=O)NCCCCCCCCNC(=O)NC3=CC=CC4=CC=CC=C43	YCWLPVADSISLLI-UHFFFAOYSA-N
DG56925	"9-(2-Chloroethoxymethyl)-1,3-diphenyl-2-thioxo-purin-6-one"	387936	"NSC682241; CHEMBL1981097; NSC-682241; NCI60_029424; 9-(2-chloroethoxymethyl)-1,3-diphenyl-2-thioxo-purin-6-one; 9-((2-Chloroethoxy)methyl)-1,3-diphenyl-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682241	.	.	.	.	412.9	C20H17ClN4O2S	82.7	568	3.8	28	0	4	6	"InChI=1S/C20H17ClN4O2S/c21-11-12-27-14-23-13-22-17-18(23)24(15-7-3-1-4-8-15)20(28)25(19(17)26)16-9-5-2-6-10-16/h1-10,13H,11-12,14H2"	C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4)N=CN3COCCCl	SRCXQJRCOMPWFL-UHFFFAOYSA-N
DG56926	"1,3-Diphenyl-9-tetrahydropyran-2-yl-2-thioxo-purin-6-one"	387937	"NSC682242; CHEMBL1981443; NSC-682242; NCI60_029425; 1,3-diphenyl-9-tetrahydropyran-2-yl-2-thioxo-purin-6-one; 1,3-Diphenyl-9-tetrahydro-2H-pyran-2-yl-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one; 6H-Purin-6-one,2,3,9-tetrahydro- 9-(tetrahydro-2-pyranyl)-1,3-diphenyl-2-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682242	.	.	.	.	404.5	C22H20N4O2S	82.7	620	4	29	0	4	3	"InChI=1S/C22H20N4O2S/c27-21-19-20(24(15-23-19)18-13-7-8-14-28-18)25(16-9-3-1-4-10-16)22(29)26(21)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2"	C1CCOC(C1)N2C=NC3=C2N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5	MKWJBHBVTAYNSD-UHFFFAOYSA-N
DG56927	N-[2-(3-benzyloxyphenyl)ethyl]-3-(4-hydroxyphenyl)propanamide	387942	NSC682293; CHEMBL2006118; NSC-682293; NCI60_029430; N-[2-(3-benzyloxyphenyl)ethyl]-3-(4-hydroxyphenyl)propanamide; N-(2-(3-(Benzyloxy)phenyl)ethyl)-3-(4-hydroxyphenyl)propanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682293	.	.	.	.	375.5	C24H25NO3	58.6	441	4.5	28	2	3	9	"InChI=1S/C24H25NO3/c26-22-12-9-19(10-13-22)11-14-24(27)25-16-15-20-7-4-8-23(17-20)28-18-21-5-2-1-3-6-21/h1-10,12-13,17,26H,11,14-16,18H2,(H,25,27)"	C1=CC=C(C=C1)COC2=CC=CC(=C2)CCNC(=O)CCC3=CC=C(C=C3)O	KMMYIDWNZIISAV-UHFFFAOYSA-N
DG56928	3-(4-hydroxyphenyl)-N-[2-(3-hydroxyphenyl)ethyl]propanamide	387943	NSC682294; CHEMBL19021; 3-(4-hydroxyphenyl)-N-[2-(3-hydroxyphenyl)ethyl]propanamide; BDBM50057346; NSC-682294; NCI60_029431; 3-(4-Hydroxyphenyl)-N-(3-hydroxyphenethyl)propionamide; 3-(4-Hydroxy-phenyl)-N-[2-(3-hydroxy-phenyl)-ethyl]-propionamide; 3-(4-Hydroxyphenyl)propanoic acid [beta-(3-Hydroxyphenyl)ethyl]amide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682294	.	.	.	.	285.34	C17H19NO3	69.6	313	2.7	21	3	3	6	"InChI=1S/C17H19NO3/c19-15-7-4-13(5-8-15)6-9-17(21)18-11-10-14-2-1-3-16(20)12-14/h1-5,7-8,12,19-20H,6,9-11H2,(H,18,21)"	C1=CC(=CC(=C1)O)CCNC(=O)CCC2=CC=C(C=C2)O	QDRWIYFSUWNHCV-UHFFFAOYSA-N
DG56929	N-[2-(3-benzyloxyphenyl)ethyl]-3-(3-hydroxyphenyl)propanamide	387944	NSC682295; CHEMBL1987280; NSC-682295; NCI60_029432; N-[2-(3-benzyloxyphenyl)ethyl]-3-(3-hydroxyphenyl)propanamide; N-(2-(3-(Benzyloxy)phenyl)ethyl)-3-(3-hydroxyphenyl)propanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682295	.	.	.	.	375.5	C24H25NO3	58.6	449	4.5	28	2	3	9	"InChI=1S/C24H25NO3/c26-22-10-4-8-19(16-22)12-13-24(27)25-15-14-20-9-5-11-23(17-20)28-18-21-6-2-1-3-7-21/h1-11,16-17,26H,12-15,18H2,(H,25,27)"	C1=CC=C(C=C1)COC2=CC=CC(=C2)CCNC(=O)CCC3=CC(=CC=C3)O	GXQTVKZLCSLRAI-UHFFFAOYSA-N
DG56930	4-(Benzo[d]thiazol-2-yl)-2-bromoaniline	387948	"4-(benzo[d]thiazol-2-yl)-2-bromoaniline; 178804-06-3; 4-(1,3-benzothiazol-2-yl)-2-bromoaniline; NSC682301; CHEMBL12169; SCHEMBL1978135; ZINC21489; DTXSID90327753; AKOS013640000; 2-Bromo-4-(benzothiazol-2-yl)aniline; NSC-682301; 4-benzothiazol-2-yl-2-bromophenylamine; Aniline, 2-bromo-4-(2-benzothiazolyl)-; NCI60_029436; 2-(4'-amino-3'-bromophenyl)benzothiazole; Benzenamine, 2-bromo-4-(2-benzothiazolyl)-; FT-0706763"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682301	.	.	.	.	305.19	C13H9BrN2S	67.2	276	4.3	17	1	3	1	"InChI=1S/C13H9BrN2S/c14-9-7-8(5-6-10(9)15)13-16-11-3-1-2-4-12(11)17-13/h1-7H,15H2"	C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)Br	PZNQWLHSPUPLEL-UHFFFAOYSA-N
DG56931	2-Bromo-4-(6-methylbenzothiazol-2-yl)aniline	387949	"NSC682302; SCHEMBL7109596; CHEMBL1965142; ZINC1648114; AKOS005061635; NSC-682302; NCI60_029437; 2-Bromo-4-(6-methylbenzothiazol-2-yl)aniline; 2-(4'-amino-3'-bromophenyl)-6-methylbenzothiazole; [2-bromo-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682302	.	.	.	.	319.22	C14H11BrN2S	67.2	302	4.4	18	1	3	1	"InChI=1S/C14H11BrN2S/c1-8-2-5-12-13(6-8)18-14(17-12)9-3-4-11(16)10(15)7-9/h2-7H,16H2,1H3"	CC1=CC2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)N)Br	WCISMKQERHOLSW-UHFFFAOYSA-N
DG56932	"4-(1,3-Benzothiazol-2-yl)-2-chloroaniline"	387950	"4-(2-Benzothiazolyl)-2-chloro-benzenamine; 178804-10-9; NSC-682303; 4-(1,3-benzothiazol-2-yl)-2-chloroaniline; NSC682303; 2-(4'-amino-3'-chlorophenyl)benzothiazole; CHEMBL12231; SCHEMBL6284593; ZINC21490; AKOS005133979; 2-(4-amino-3-chlorophenyl)benzothiazole; 4-benzothiazol-2-yl-2-chlorophenylamine; 4-Benzothiazol-2-yl-2-chloro-phenylamine; NCI60_029438; 4-(Benzo[d]thiazol-2-yl)-2-chloroaniline; [4-(benzothiazolyl)-2-chloro-phenyl]-amine; 2-(4'-amino-3'-chlorophenyl) benzothiazole; BB 0256395; CS-0336772; Benzenamine, 2-chloro-4-(benzothiazol-2-yl)-; [4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682303	.	.	.	.	260.74	C13H9ClN2S	67.2	276	4.2	17	1	3	1	"InChI=1S/C13H9ClN2S/c14-9-7-8(5-6-10(9)15)13-16-11-3-1-2-4-12(11)17-13/h1-7H,15H2"	C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)Cl	VMHNOJKXMWYAGM-UHFFFAOYSA-N
DG56933	"N-[p-[N-(2,7-triamino-6-pteriddinylmethyl)-N-methylamino]benzoyl]glutamic acid"	387951	"NSC682306; CHEMBL1992144; NSC-682306; NCI60_029439; N-[p-[N-(2,7-triamino-6-pteriddinylmethyl)-N-methylamino]benzoyl]glutamic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682306	.	.	.	.	469.5	C20H23N9O5	237	735	-2.2	34	6	13	9	"InChI=1S/C20H23N9O5/c1-29(8-12-15(21)26-17-14(24-12)16(22)27-20(23)28-17)10-4-2-9(3-5-10)18(32)25-11(19(33)34)6-7-13(30)31/h2-5,11H,6-8H2,1H3,(H,25,32)(H,30,31)(H,33,34)(H6,21,22,23,26,27,28)"	CN(CC1=C(N=C2C(=N1)C(=NC(=N2)N)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	JXBQVTXBIDNTBV-UHFFFAOYSA-N
DG56934	3-(4-Fluorophenyl)-3-(4-hydroxy-2-methylphenyl)-2-benzofuran-1(3H)-one	387973	148238-45-3; NSC682335; 3-(4-Fluorophenyl)-3-(4-hydroxy-2-methylphenyl)-2-benzofuran-1(3H)-one; NSC 682335; NCIChal_000028; SCHEMBL5582109; CHEMBL1980432; NSC-682335; NCI60_029447; 3-(4-Fluorophenyl)-3-(4-hydroxy-2-methylphenyl)phthalide; 3-(4-fluorophenyl)-3-(4-hydroxy-2-methyl-phenyl)isobenzofuran-1-one; 3-(4-Fluorophenyl)-3-(4-hydroxy-2-methylphenyl)isobenzofuran-1(3H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682335	.	.	.	.	334.3	C21H15FO3	46.5	501	4.6	25	1	4	2	"InChI=1S/C21H15FO3/c1-13-12-16(23)10-11-18(13)21(14-6-8-15(22)9-7-14)19-5-3-2-4-17(19)20(24)25-21/h2-12,23H,1H3"	CC1=C(C=CC(=C1)O)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)F	NMZBIRJGKPTDBF-UHFFFAOYSA-N
DG56935	Aurantimycin B	387979	NSC682345; Aurantimycin B; CHEMBL1989833; NSC-682345; NCI60_029452	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682345	.	.	.	.	854.9	C38H62N8O14	290	1650	-0.3	60	7	16	8	"InChI=1S/C38H62N8O14/c1-20(2)17-24-13-14-38(55,60-23(24)6)37(7,54)36(53)42-29-30(21(3)4)59-35(52)22(5)45(56)32(49)25-11-9-15-40-43(25)28(47)18-39-31(48)27(19-58-8)46(57)33(50)26-12-10-16-41-44(26)34(29)51/h15,20-27,29-30,41,54-57H,9-14,16-19H2,1-8H3,(H,39,48)(H,42,53)/t22-,23+,24+,25+,26-,27+,29+,30+,37-,38+/m1/s1"	C[C@H]1[C@@H](CC[C@](O1)([C@@](C)(C(=O)N[C@H]2[C@@H](OC(=O)[C@H](N(C(=O)[C@@H]3CCC=NN3C(=O)CNC(=O)[C@@H](N(C(=O)[C@H]4CCCNN4C2=O)O)COC)O)C)C(C)C)O)O)CC(C)C	HLRDKYXEOKTOGL-WNXSUJFDSA-N
DG56936	Kumusine	387981	"Trachycladine A; 164672-56-4; NSC682347; Kumusine; 9H-Purin-6-amine, 2-chloro-9-(5-deoxy-2-C-methylpentofuranosyl)-; NSC 682347; Adenosine, 2-chloro-5'-deoxy-2'-C-methyl-; 2-chloro-9-(5-deoxy-2-c-methylpentofuranosyl)-9h-purin-6-amine; CHEMBL1973929; DTXSID60936977; 2-(6-amino-2-chloropurin-9-yl)-3,5-dimethyloxolane-3,4-diol; NSC-682347; NCI60_029454; 2-(6-amino-2-chloro-purin-9-yl)-3,5-dimethyl-tetrahydrofuran-3,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682347	.	.	.	.	299.71	C11H14ClN5O3	119	391	-0.3	20	3	7	1	"InChI=1S/C11H14ClN5O3/c1-4-6(18)11(2,19)9(20-4)17-3-14-5-7(13)15-10(12)16-8(5)17/h3-4,6,9,18-19H,1-2H3,(H2,13,15,16)"	CC1C(C(C(O1)N2C=NC3=C(N=C(N=C32)Cl)N)(C)O)O	VGXNTNGMCOCQAZ-UHFFFAOYSA-N
DG56937	"3,4-Dihydroxy-2-methyl-3,4-bis(p-tolyl)isoquinolin-1-one"	387986	"NSC682352; CHEMBL1977413; NSC-682352; NCI60_029458; 3,4-dihydroxy-2-methyl-3,4-bis(p-tolyl)isoquinolin-1-one; 3,4-Dihydroxy-2-methyl-3,4-bis(4-methylphenyl)-3,4-dihydro-1(2H)-isoquinolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682352	.	.	.	.	373.4	C24H23NO3	60.8	578	3.3	28	2	3	2	"InChI=1S/C24H23NO3/c1-16-8-12-18(13-9-16)23(27)21-7-5-4-6-20(21)22(26)25(3)24(23,28)19-14-10-17(2)11-15-19/h4-15,27-28H,1-3H3"	CC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)N(C2(C4=CC=C(C=C4)C)O)C)O	UQRXVACWPANGTN-UHFFFAOYSA-N
DG56938	"3,4-Dihydroxy-3,4-bis(4-methoxyphenyl)-2-methyl-isoquinolin-1-one"	387987	"NSC682353; CHEMBL1993035; NSC-682353; NCI60_029459; 3,4-dihydroxy-3,4-bis(4-methoxyphenyl)-2-methyl-isoquinolin-1-one; 3,4-Dihydroxy-3,4-bis(4-methoxyphenyl)-2-methyl-3,4-dihydro-1(2H)-isoquinolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682353	.	.	.	.	405.4	C24H23NO5	79.2	613	2.5	30	2	5	4	"InChI=1S/C24H23NO5/c1-25-22(26)20-6-4-5-7-21(20)23(27,16-8-12-18(29-2)13-9-16)24(25,28)17-10-14-19(30-3)15-11-17/h4-15,27-28H,1-3H3"	CN1C(=O)C2=CC=CC=C2C(C1(C3=CC=C(C=C3)OC)O)(C4=CC=C(C=C4)OC)O	PAGDRAMRAMMAND-UHFFFAOYSA-N
DG56939	N-[4-(diethylaminomethyl)phenyl]acridin-9-amine	387995	NSC682358; CHEMBL1970013; ZINC31870941; NSC-682358; NCI60_029464	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682358	.	.	.	.	355.5	C24H25N3	28.2	419	5.6	27	1	3	6	"InChI=1S/C24H25N3/c1-3-27(4-2)17-18-13-15-19(16-14-18)25-24-20-9-5-7-11-22(20)26-23-12-8-6-10-21(23)24/h5-16H,3-4,17H2,1-2H3,(H,25,26)"	CCN(CC)CC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42	GCMNLVJDDKCWEX-UHFFFAOYSA-N
DG56940	"9-Acridinamine, N-(5-hydroxypentyl)-"	387996	"NSC682359; CHEMBL2001310; 9-(5-hydroxypentyl)aminoacridine; 1-Pentanol, 5-(9-acridinylamino)-; 9-Acridinamine, N-(5-hydroxypentyl)-; NSC-682359; NCI60_029465"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682359	.	.	.	.	280.4	C18H20N2O	45.2	288	3.9	21	2	3	6	"InChI=1S/C18H20N2O/c21-13-7-1-6-12-19-18-14-8-2-4-10-16(14)20-17-11-5-3-9-15(17)18/h2-5,8-11,21H,1,6-7,12-13H2,(H,19,20)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCO	LPHXZDIAAFATRN-UHFFFAOYSA-N
DG56941	"N'-acridin-9-yl-N-ethylethane-1,2-diamine"	387998	NSC682361; CHEMBL2006618; NSC-682361; NCI60_029467	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682361	.	.	.	.	265.35	C17H19N3	37	272	3.4	20	2	3	5	"InChI=1S/C17H19N3/c1-2-18-11-12-19-17-13-7-3-5-9-15(13)20-16-10-6-4-8-14(16)17/h3-10,18H,2,11-12H2,1H3,(H,19,20)"	CCNCCNC1=C2C=CC=CC2=NC3=CC=CC=C31	CEVLVHXFAQDRLC-UHFFFAOYSA-N
DG56942	"N-(3,4-Dimethoxybenzyl)-3-phenyl-7-(trifluoromethyl)quinoxalin-2-amine"	388000	"NSC682363; CHEMBL1966634; NSC-682363; NCI60_029469; N-(3,4-Dimethoxybenzyl)-3-phenyl-7-(trifluoromethyl)quinoxalin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682363	.	.	.	.	439.4	C24H20F3N3O2	56.3	587	5.5	32	1	8	6	"InChI=1S/C24H20F3N3O2/c1-31-20-11-8-15(12-21(20)32-2)14-28-23-22(16-6-4-3-5-7-16)29-18-10-9-17(24(25,26)27)13-19(18)30-23/h3-13H,14H2,1-2H3,(H,28,30)"	COC1=C(C=C(C=C1)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4)OC	VAFKVBKCPAEJSZ-UHFFFAOYSA-N
DG56943	Methyl 4-(3-thiophen-2-ylquinoxalin-2-yl)oxybenzoate	388002	NSC682365; CHEMBL1988430; NSC-682365; NCI60_029471	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682365	.	.	.	.	362.4	C20H14N2O3S	89.6	484	4.3	26	0	6	5	"InChI=1S/C20H14N2O3S/c1-24-20(23)13-8-10-14(11-9-13)25-19-18(17-7-4-12-26-17)21-15-5-2-3-6-16(15)22-19/h2-12H,1H3"	COC(=O)C1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2C4=CC=CS4	LAPAPGUYNQCART-UHFFFAOYSA-N
DG56944	6-(Trifluoromethyl)-3-[(4-fluorophenyl)amino]quinoxaline-2-carboxylic acid ethyl ester	388003	NSC682366; CHEMBL1984818; NSC-682366; NCI60_029472; 6-(Trifluoromethyl)-3-[(4-fluorophenyl)amino]quinoxaline-2-carboxylic acid ethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682366	.	.	.	.	379.3	C18H13F4N3O2	64.099	511	5.2	27	1	9	5	"InChI=1S/C18H13F4N3O2/c1-2-27-17(26)15-16(23-12-6-4-11(19)5-7-12)25-14-9-10(18(20,21)22)3-8-13(14)24-15/h3-9H,2H2,1H3,(H,23,25)"	CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)F	HEMKXAZIEVSYED-UHFFFAOYSA-N
DG56945	3-[(4-Methoxyphenyl)amino]quinoxaline-2-carboxylic acid	388005	NSC682368; 3-[(4-methoxyphenyl)amino]quinoxaline-2-carboxylic acid; CHEMBL1990488; NSC-682368; NCI60_029474	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682368	.	.	.	.	295.29	C16H13N3O3	84.3	385	3.5	22	2	6	4	"InChI=1S/C16H13N3O3/c1-22-11-8-6-10(7-9-11)17-15-14(16(20)21)18-12-4-2-3-5-13(12)19-15/h2-9H,1H3,(H,17,19)(H,20,21)"	COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C(=O)O	MVBOGMAOIQCWMS-UHFFFAOYSA-N
DG56946	2-(1-Propynyl)estradiol	388008	"CHEMBL1627461; MLS002702336; NSC682429; 2-(1-Propynyl)estradiol; 2-(1'-propynyl) estradiol; SCHEMBL4075377; BDBM50471279; NSC-682429; 2-(1-Propynyl)-3,17.beta.-estradiol; NCI60_029477"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682429	.	.	.	.	310.4	C21H26O2	40.5	528	4.8	23	2	2	1	"InChI=1S/C21H26O2/c1-3-4-14-11-17-13(12-19(14)22)5-6-16-15(17)9-10-21(2)18(16)7-8-20(21)23/h11-12,15-16,18,20,22-23H,5-10H2,1-2H3/t15-,16+,18-,20-,21-/m0/s1"	CC#CC1=C(C=C2CC[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4O)C)O	VFBWVXKSUXUBTB-OKSLILNBSA-N
DG56947	"methyl N-[2-(6-anilino-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate"	388011	NSC682432; CHEMBL592193; NSC-682432; NCI60_029479	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682432	.	.	.	.	340.33	C17H16N4O4	113	571	1.8	25	3	6	6	"InChI=1S/C17H16N4O4/c1-25-17(24)18-8-7-11-14-13(22)9-12(16(23)15(14)21-20-11)19-10-5-3-2-4-6-10/h2-6,9,19H,7-8H2,1H3,(H,18,24)(H,20,21)"	COC(=O)NCCC1=C2C(=O)C=C(C(=O)C2=NN1)NC3=CC=CC=C3	UQFBQDRIPMMBLB-UHFFFAOYSA-N
DG56948	"Naphth[2, 4-[(2-aminocyclohexyl) imino]-2-methyl-, acetate"	388014	"NSC682436; CHEMBL1982299; NSC-682436; Naphth[2, 4-[(2-aminocyclohexyl) imino]-2-methyl-, acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682436	.	.	.	.	369.4	C20H23N3O4	119	538	.	27	2	7	1	"InChI=1S/C18H19N3O2.C2H4O2/c1-10-20-16-15(21-14-9-5-4-8-13(14)19)11-6-2-3-7-12(11)17(22)18(16)23-10;1-2(3)4/h2-3,6-7,13-14H,4-5,8-9,19H2,1H3;1H3,(H,3,4)"	CC1=NC2=C(O1)C(=O)C3=CC=CC=C3C2=NC4CCCCC4N.CC(=O)O	YUGLXSHZXGQZAX-UHFFFAOYSA-N
DG56949	"16-Cyano-3alpha-(5-methyl-1,3,4-oxadiazol-2-yl)-13,16-seco-17-norandrost-5-en-3beta-yl acetate"	388019	"NSC682444; CHEMBL1976529; NSC-682444; NCI60_029491; 16-Cyano-3alpha-(5-methyl-1,3,4-oxadiazol-2-yl)-13,16-seco-17-norandrost- 5-en-3beta-yl acetate; 3.beta.-Acetoxy-13.alpha.-(5'-methyl-1',4'-oxadiazol-2'-yl)-13,16-seco-17-nor-5-androstene-16-nitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682444	.	.	.	.	397.5	C23H31N3O3	89	743	3.7	29	0	6	4	"InChI=1S/C23H31N3O3/c1-14-25-26-21(28-14)23(4)11-8-19-18(20(23)9-12-24)6-5-16-13-17(29-15(2)27)7-10-22(16,19)3/h5,17-20H,6-11,13H2,1-4H3/t17-,18+,19-,20-,22-,23-/m0/s1"	CC1=NN=C(O1)[C@]2(CC[C@H]3[C@H]([C@@H]2CC#N)CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C	NDWYZSPZBODTEA-QPJCPEQFSA-N
DG56950	"Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2-acetyl-"	388023	"NSC682448; CHEMBL433546; SCHEMBL6992698; NSC-682448; 215371-56-5; NCI60_029495; Benzo[1,5-b']dithiophene-4,8-dione, 2-acetyl-; 2-Acetylbenzo[1,2-b:4,5-b']dithiophene-4,8-dione; Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2-acetyl-; 2-Acetyl-4,8-dihydrobenzo[1,2-b:4,5-b']dithiophene-4,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682448	.	.	.	.	262.3	C12H6O3S2	108	407	2.9	17	0	5	1	"InChI=1S/C12H6O3S2/c1-5(13)8-4-7-10(15)11-6(2-3-16-11)9(14)12(7)17-8/h2-4H,1H3"	CC(=O)C1=CC2=C(S1)C(=O)C3=C(C2=O)SC=C3	MMYDGBHMGKVWDF-UHFFFAOYSA-N
DG56951	"Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2-(1-hydroxyethyl)-"	388024	"NSC682449; CHEMBL139717; SCHEMBL6997236; Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2-(1-hydroxyethyl)-; NSC-682449; 215371-57-6; NCI60_029496; Benzo[1,5-b']dithiophene-4,8-dione, 2-(1-hydroxyethyl)-; 2-(1-Hydroxyethyl)benzo[1,2-b:4,5-b']dithiophene-4,8-dione; 2-(1'-Hydroxyethyl)-4,8-dihydrobenzo[1,2-b:4,5-b']dithiophene-4,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682449	.	.	.	.	264.3	C12H8O3S2	111	371	2.4	17	1	5	1	"InChI=1S/C12H8O3S2/c1-5(13)8-4-7-10(15)11-6(2-3-16-11)9(14)12(7)17-8/h2-5,13H,1H3"	CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)SC=C3)O	HLSTYWBADAGQLR-UHFFFAOYSA-N
DG56952	"Benzo[1,5-b']dithiophene-4,8-dione, 2-[1-(acetyloxy)ethyl]-"	388025	"NSC682450; CHEMBL359225; SCHEMBL6995584; NSC-682450; NCI60_029497; 2-(1-Acetoxyethyl)benzo[1,2-b:4,5-b']dithiophene-4,8-dione; Benzo[1,5-b']dithiophene-4,8-dione, 2-[1-(acetyloxy)ethyl]-; 2-(1'-Acetoxyethyl)-4,8-dihydrobenzo[1,2-b:4,5-b']dithiophene-4,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682450	.	.	.	.	306.4	C14H10O4S2	117	464	3	20	0	6	3	"InChI=1S/C14H10O4S2/c1-6(18-7(2)15)10-5-9-12(17)13-8(3-4-19-13)11(16)14(9)20-10/h3-6H,1-2H3"	CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)SC=C3)OC(=O)C	NGBBUFDTQZQCTF-UHFFFAOYSA-N
DG56953	"Benzo[1,5-b']dithiophene-4,8-dione, 2,7-bis(1-hydroxyethyl)-"	388026	"NSC682451; CHEMBL343428; SCHEMBL7000155; NSC-682451; NCI60_029498; 2,7-Bis(1-hydroxyethyl)benzo[1,2-b:4,5-b']dithiophene-4,8-dione; Benzo[1,5-b']dithiophene-4,8-dione, 2,7-bis(1-hydroxyethyl)-; 2,7-Bis(1'-hydroxyethyl)-4,8-dihydrobenzo [1,2-b:4,5-b']dithiophene-4,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682451	.	.	.	.	308.4	C14H12O4S2	131	441	2	20	2	6	2	"InChI=1S/C14H12O4S2/c1-5(15)8-4-19-14-10(8)12(18)13-7(11(14)17)3-9(20-13)6(2)16/h3-6,15-16H,1-2H3"	CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)SC=C3C(C)O)O	UCYRPWDOWLXJHZ-UHFFFAOYSA-N
DG56954	"Benzo[1,4-b']dithiophene-4,8-dione, 2,5-diacetyl-"	388027	"NSC682452; CHEMBL343882; SCHEMBL7002916; NSC-682452; NCI60_029499; Benzo[1,4-b']dithiophene-4,8-dione, 2,5-diacetyl-; 2,5-Diacetylbenzo[1,2-b:5,4-b']dithiophene-4,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682452	.	.	.	.	304.3	C14H8O4S2	125	515	2.6	20	0	6	2	"InChI=1S/C14H8O4S2/c1-5(15)8-4-19-14-10(8)11(17)7-3-9(6(2)16)20-13(7)12(14)18/h3-4H,1-2H3"	CC(=O)C1=CC2=C(S1)C(=O)C3=C(C2=O)C(=CS3)C(=O)C	MNVOCRYKCUHENV-UHFFFAOYSA-N
DG56955	"Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2-acetyl-"	388028	"NSC682453; CHEMBL143105; SCHEMBL6998703; NSC-682453; 215371-62-3; NCI60_029500; Benzo[1,4-b']dithiophene-4,8-dione, 2-acetyl-; 2-Acetylbenzo[1,2-b:5,4-b']dithiophene-4,8-dione; Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2-acetyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682453	.	.	.	.	262.3	C12H6O3S2	108	407	2.9	17	0	5	1	"InChI=1S/C12H6O3S2/c1-5(13)8-4-7-9(14)6-2-3-16-11(6)10(15)12(7)17-8/h2-4H,1H3"	CC(=O)C1=CC2=C(S1)C(=O)C3=C(C2=O)C=CS3	TYNBBESGBCIKHW-UHFFFAOYSA-N
DG56956	Tetra-p-anisidyl-oxalamidine	388030	"NSC682455; Tetra-p-anisidyl-oxalamidine; CHEMBL1988818; ZINC17154909; MCULE-5216929185; NSC-682455; NCI60_029502; AN-689/41741386; N1,N1',N2,N2'-tetrakis(4-methoxyphenyl)oxalamidine; Ethanediimidamide, N1,N2,N'1,N'2-tetrakis(4-methoxyphenyl)-; N~1~,N~2~,N'~1~,N'~2~-tetrakis(4-methoxyphenyl)ethanediimidamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682455	.	.	.	.	510.6	C30H30N4O4	85.7	669	5.9	38	2	6	11	"InChI=1S/C30H30N4O4/c1-35-25-13-5-21(6-14-25)31-29(32-22-7-15-26(36-2)16-8-22)30(33-23-9-17-27(37-3)18-10-23)34-24-11-19-28(38-4)20-12-24/h5-20H,1-4H3,(H,31,32)(H,33,34)"	COC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)OC)C(=NC3=CC=C(C=C3)OC)NC4=CC=C(C=C4)OC	ARXYQPDWSPCPBP-UHFFFAOYSA-N
DG56957	"4-Chloro-2-phenyl[1,3]thiazolo[4,5-d]pyridazine"	388033	"NSC682463; NCIChal_000029; 4-Chloro-2-phenyl[1,3]thiazolo[4,5-d]pyridazine; CHEMBL1990215; Thiazolo[4, 4-chloro-2-phenyl-; ZINC1648675; CCG-36214; NSC-682463; NCI60_029503; 2-Phenyl-4-chlorothiazolo[4,5-d]pyridazine; 4-chloro-2-phenyl-thiazolo[4,5-d]pyridazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682463	.	.	.	.	247.7	C11H6ClN3S	66.9	247	2.9	16	0	4	1	InChI=1S/C11H6ClN3S/c12-10-9-8(6-13-15-10)16-11(14-9)7-4-2-1-3-5-7/h1-6H	C1=CC=C(C=C1)C2=NC3=C(N=NC=C3S2)Cl	ILZWMFRMQWZOKM-UHFFFAOYSA-N
DG56958	"2,4-Diethoxyestradiol"	388044	"2,4-Diethoxyestradiol; CHEMBL1627888; NSC682505; BDBM50471282; NSC-682505; 2,3,5(10)trien-3,17.beta.-diol; NCI60_029512"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682505	.	.	.	.	360.5	C22H32O4	58.9	497	3.4	26	2	4	4	"InChI=1S/C22H32O4/c1-4-25-18-12-16-13-10-11-22(3)17(8-9-19(22)23)14(13)6-7-15(16)21(20(18)24)26-5-2/h12-14,17,19,23-24H,4-11H2,1-3H3/t13-,14+,17-,19-,22-/m0/s1"	CCOC1=C(C(=C2CC[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4O)C)OCC)O	JOEMROTWVNNROM-MFQVCDOASA-N
DG56959	"3-(Chloromethyl)-N,N-dimethyl-1-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-6-indolinamine"	388045	"NSC682506; CHEMBL35853; NSC-682506; NCI60_029513; 3-(Chloromethyl)-N,N-dimethyl-1-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-6-indolinamine; Methanone,3-dihydro-6-(dimethylamino)- 1H-indol-1-yl-5,6,7-trimethoxy-1H-indol-2-yl-; N,N-Dimethyl-1-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-3-(chloromethyl)indolin-6-amine; [3-(chloromethyl)-6-(dimethylamino)indolin-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone; N-(3-(Chloromethyl)-1-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-2,3-dihydro-1H-indol-6-yl)-N,N-dimethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682506	.	.	.	.	443.9	C23H26ClN3O4	67	638	3.9	31	1	5	6	"InChI=1S/C23H26ClN3O4/c1-26(2)15-6-7-16-14(11-24)12-27(18(16)10-15)23(28)17-8-13-9-19(29-3)21(30-4)22(31-5)20(13)25-17/h6-10,14,25H,11-12H2,1-5H3"	CN(C)C1=CC2=C(C=C1)C(CN2C(=O)C3=CC4=CC(=C(C(=C4N3)OC)OC)OC)CCl	JCTJPWQWAMFGAX-UHFFFAOYSA-N
DG56960	"2,6-Dibromo-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]purine"	388059	"NSC682520; CHEMBL1995470; NSC-682520; NCI60_029523; 2,6-dibromo-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]purine; 9H-Purine, 2,6-dibromo-9-[2-deoxy-3,5-bis-O-(4-methylphenyl)pentofuranosyl]-; 9H-Purine,6-dibromo-9-[2-deoxy- 3,5-O-bis(4-methylphenyl)-.alpha.-D-erythro- pentofuranosyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682520	.	.	.	.	574.3	C24H22Br2N4O3	71.3	633	7.1	33	0	6	6	"InChI=1S/C24H22Br2N4O3/c1-14-3-7-16(8-4-14)31-12-19-18(32-17-9-5-15(2)6-10-17)11-20(33-19)30-13-27-21-22(25)28-24(26)29-23(21)30/h3-10,13,18-20H,11-12H2,1-2H3"	CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4Br)Br)OC5=CC=C(C=C5)C	ACKILDVYRDBSLO-UHFFFAOYSA-N
DG56961	5-(2-Anilino-6-chloro-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol	388061	"NSC682522; CHEMBL1986721; NSC-682522; NCI60_029525; 9H-Purin-2-amine, 6-chloro-9-(2-deoxypentofuranosyl)-N-phenyl-; 5-(2-anilino-6-chloro-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682522	.	.	.	.	361.78	C16H16ClN5O3	105	456	3	25	3	7	4	"InChI=1S/C16H16ClN5O3/c17-14-13-15(21-16(20-14)19-9-4-2-1-3-5-9)22(8-18-13)12-6-10(24)11(7-23)25-12/h1-5,8,10-12,23-24H,6-7H2,(H,19,20,21)"	C1C(C(OC1N2C=NC3=C2N=C(N=C3Cl)NC4=CC=CC=C4)CO)O	QQKAMIXYEHKSKX-UHFFFAOYSA-N
DG56962	"5,6-Dichloro-2-tetrahydropyran-2-yl-1h-benzimidazole"	388071	"NSC682534; 5,6-dichloro-2-tetrahydropyran-2-yl-1h-benzimidazole; CHEMBL2009615; AKOS020987269; NCI60_029537; 5,6-Dichloro-2-[(tetrahydro-2H-pyran)-2-yl]-1H-benzimidazole; 5,6-Dichloro-2-tetrahydro-2H-pyran-2-yl-1H-benzimidazole hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682534	.	.	.	.	271.14	C12H12Cl2N2O	37.9	279	3.3	17	1	2	1	"InChI=1S/C12H12Cl2N2O/c13-7-5-9-10(6-8(7)14)16-12(15-9)11-3-1-2-4-17-11/h5-6,11H,1-4H2,(H,15,16)"	C1CCOC(C1)C2=NC3=CC(=C(C=C3N2)Cl)Cl	GMCIMYKLZYKGHH-UHFFFAOYSA-N
DG56963	"5,6-Dichloro-1-tetrahydropyran-2-yl-benzimidazole"	388072	"NSC682535; CHEMBL1975778; NSC-682535; NCI60_029538; 5,6-dichloro-1-tetrahydropyran-2-yl-benzimidazole; 5,6-Dichloro-1-tetrahydro-2H-pyran-2-yl-1H-benzimidazole; 5,6-Dichloro-1-[(tetrahydro-2H-pyran)-2-yl]-1H-benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682535	.	.	.	.	271.14	C12H12Cl2N2O	27	279	3.5	17	0	2	1	"InChI=1S/C12H12Cl2N2O/c13-8-5-10-11(6-9(8)14)16(7-15-10)12-3-1-2-4-17-12/h5-7,12H,1-4H2"	C1CCOC(C1)N2C=NC3=CC(=C(C=C32)Cl)Cl	NBNXGPHMUZHVMW-UHFFFAOYSA-N
DG56964	1-[3-(Trichloromethyl)tetrahydrofuran-2-yl]benzotriazole	388083	"NSC682546; CHEMBL1992504; NSC-682546; NCI60_029549; 1-[3-(trichloromethyl)tetrahydrofuran-2-yl]benzotriazole; 1-(3-(Trichloromethyl)tetrahydro-2-furanyl)-1H-1,2,3-benzotriazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682546	.	.	.	.	306.6	C11H10Cl3N3O	39.9	312	3.3	18	0	3	1	"InChI=1S/C11H10Cl3N3O/c12-11(13,14)7-5-6-18-10(7)17-9-4-2-1-3-8(9)15-16-17/h1-4,7,10H,5-6H2"	C1COC(C1C(Cl)(Cl)Cl)N2C3=CC=CC=C3N=N2	AZWFGWXLPYOQGI-UHFFFAOYSA-N
DG56965	Cardenolide 2	388098	Cardenolide 2; NSC682561; CHEMBL2004236; NSC-682561; NCI60_029564	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682561	.	.	.	.	532.6	C29H40O9	143	1060	0.7	38	4	9	4	"InChI=1S/C29H40O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h5,9,11,15-16,18-22,24-25,31,33-35H,3-4,6-8,10,12-14H2,1-2H3/t16 ,18-,19-,20-,21+,22 ,24 ,25 ,26+,27-,28-,29-/m0/s1"	CC1C(C(CC(O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@@H](CC[C@@]5([C@@H]4C=C[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O	YRCCUUYOXFAUMW-NYCXNGLCSA-N
DG56966	"3-Chloro-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-inden-1-one"	388099	"NSC682562; CHEMBL1984429; 3-Chloro-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-inden-1-one; ZINC1648768; NSC-682562; NCI60_029565; 3-chloro-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-inden-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682562	.	.	.	.	360.8	C19H17ClO5	54	534	3.8	25	0	5	5	"InChI=1S/C19H17ClO5/c1-22-13-6-5-10(7-14(13)23-2)17-18(20)11-8-15(24-3)16(25-4)9-12(11)19(17)21/h5-9H,1-4H3"	COC1=C(C=C(C=C1)C2=C(C3=CC(=C(C=C3C2=O)OC)OC)Cl)OC	SPXFXYOHHGCBHY-UHFFFAOYSA-N
DG56967	(E)-N'-(2-oxoindolin-3-ylidene)-2-phenylacetohydrazide	388108	"NSC682573; CHEMBL1822573; 828250-99-3; (E)-N'-(2-oxoindolin-3-ylidene)-2-phenylacetohydrazide; N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-2-phenylacetohydrazide; N'-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-phenylacetohydrazide; SCHEMBL23483675; DTXSID10420199; HMS1675H17; ZINC6574943; BDBM50351711; STL356502; AKOS000623391; AKOS002968576; MCULE-1399570721; NSC-682573; 300805-68-9; 828250-96-0; NCI60_029574; AB00672853-01; F0890-0033; N-[(Z)-(2-oxoindolin-3-ylidene)amino]-2-phenyl-acetamide; N'-[(3E)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-2-phenylacetohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682573	.	.	.	.	279.29	C16H13N3O2	77.8	393	3.6	21	2	3	3	"InChI=1S/C16H13N3O2/c20-14(10-11-6-2-1-3-7-11)18-19-15-12-8-4-5-9-13(12)17-16(15)21/h1-9,17,21H,10H2"	C1=CC=C(C=C1)CC(=O)N=NC2=C(NC3=CC=CC=C32)O	ODEGIZBDYBJTTG-UHFFFAOYSA-N
DG56968	N-(4-aminobutyldiazenyl)-4-methylaniline	388133	NSC682623; CHEMBL1971022; ZINC6487164; NSC-682623; NCI60_029595	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682623	.	.	.	.	206.29	C11H18N4	62.8	173	2.4	15	2	4	6	"InChI=1S/C11H18N4/c1-10-4-6-11(7-5-10)14-15-13-9-3-2-8-12/h4-7H,2-3,8-9,12H2,1H3,(H,13,14)"	CC1=CC=C(C=C1)NN=NCCCCN	YIOSPWSCVFIQNX-UHFFFAOYSA-N
DG56969	"(8R,9S,13S,14S)-2,4,16-tribromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one"	388134	"79258-15-4; NSC682689; 2,4,16-Tribromo-3-hydroxyestra-1,3,5(10)-trien-17-one; 2,4,16alpha-Tribromo Estrone; CHEMBL1987081; AKOS030254509; NSC-682689; (8R,9S,13S,14S)-2,4,16-tribromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one; NCI60_029596; 2,16-Tribromoestra-1,3,5(10)-trien-3-ol-17-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682689	.	.	.	.	507.1	C18H19Br3O2	37.3	513	5.9	23	1	2	0	"InChI=1S/C18H19Br3O2/c1-18-5-4-8-9(12(18)7-14(20)17(18)23)2-3-10-11(8)6-13(19)16(22)15(10)21/h6,8-9,12,14,22H,2-5,7H2,1H3/t8-,9+,12-,14 ,18-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC(C2=O)Br)CCC4=C(C(=C(C=C34)Br)O)Br	ADSWXPLGWUHJRG-WASBOFOPSA-N
DG56970	(3-Methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl)acetic acid	388155	NSC682719; CHEMBL331959; NSC-682719; NCI60_029612; (3-Methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl)acetic acid; 2-[3-methoxy-2-(4-methoxyphenyl)-4-oxo-chromen-8-yl]acetic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682719	.	.	.	.	340.3	C19H16O6	82.1	546	2.8	25	1	6	5	"InChI=1S/C19H16O6/c1-23-13-8-6-11(7-9-13)18-19(24-2)16(22)14-5-3-4-12(10-15(20)21)17(14)25-18/h3-9H,10H2,1-2H3,(H,20,21)"	COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC(=C3O2)CC(=O)O)OC	RAHMRPZPSDMNKC-UHFFFAOYSA-N
DG56971	2-[3-Methoxy-4-oxo-2-(2-thienyl)chromen-8-yl]acetic acid	388156	NSC682720; CHEMBL120914; NSC-682720; NCI60_029613; 2-[3-methoxy-4-oxo-2-(2-thienyl)chromen-8-yl]acetic acid; (3-Methoxy-4-oxo-2-(2-thienyl)-4H-chromen-8-yl)acetic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682720	.	.	.	.	316.3	C16H12O5S	101	501	2.5	22	1	6	4	"InChI=1S/C16H12O5S/c1-20-16-13(19)10-5-2-4-9(8-12(17)18)14(10)21-15(16)11-6-3-7-22-11/h2-7H,8H2,1H3,(H,17,18)"	COC1=C(OC2=C(C=CC=C2C1=O)CC(=O)O)C3=CC=CS3	FSAOWBYNKJTYNX-UHFFFAOYSA-N
DG56972	8-(Dimethoxyphosphorylmethyl)-3-methoxy-2-phenyl-chromen-4-one	388157	NSC682721; CHEMBL1996875; NSC-682721; NCI60_029614; 8-(dimethoxyphosphorylmethyl)-3-methoxy-2-phenyl-chromen-4-one; Dimethyl (3-methoxy-4-oxo-2-phenyl-4H-chromen-8-yl)methylphosphonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682721	.	.	.	.	374.3	C19H19O6P	71.1	587	2.4	26	0	6	6	"InChI=1S/C19H19O6P/c1-22-19-16(20)15-11-7-10-14(12-26(21,23-2)24-3)17(15)25-18(19)13-8-5-4-6-9-13/h4-11H,12H2,1-3H3"	COC1=C(OC2=C(C=CC=C2C1=O)CP(=O)(OC)OC)C3=CC=CC=C3	JYIDRZCWGQCXLJ-UHFFFAOYSA-N
DG56973	"4,4-Diethyl-1-propionyl-3,5-pyrazolidinedione"	388179	"NSC682744; 4,4-Diethyl-1-propionyl-3,5-pyrazolidinedione; CHEMBL1986303; NSC-682744; NCI60_029637; 4,4-diethyl-1-propanoyl-pyrazolidine-3,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682744	.	.	.	.	212.25	C10H16N2O3	66.5	308	1	15	1	3	3	"InChI=1S/C10H16N2O3/c1-4-7(13)12-9(15)10(5-2,6-3)8(14)11-12/h4-6H2,1-3H3,(H,11,14)"	CCC(=O)N1C(=O)C(C(=O)N1)(CC)CC	DBYAJUBDHPIZFB-UHFFFAOYSA-N
DG56974	"1-(4-Chlorobenzoyl)-4,4-diethylpyrazolidine-3,5-dione"	388181	"NSC682746; 1-(4-chlorobenzoyl)-4,4-diethylpyrazolidine-3,5-dione; CHEMBL2001517; NSC-682746; NCI60_029639; 1-(4-Chlorobenzoyl)-4,4-diethyl-3,5-pyrazolidinedione; 1-(4-chlorobenzoyl)-4,4-diethyl-pyrazolidine-3,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682746	.	.	.	.	294.73	C14H15ClN2O3	66.5	426	2.8	20	1	3	3	"InChI=1S/C14H15ClN2O3/c1-3-14(4-2)12(19)16-17(13(14)20)11(18)9-5-7-10(15)8-6-9/h5-8H,3-4H2,1-2H3,(H,16,19)"	CCC1(C(=O)NN(C1=O)C(=O)C2=CC=C(C=C2)Cl)CC	VBKLSJHEHRHDQI-UHFFFAOYSA-N
DG56975	"1-(4-Chlorobenzoyl)-2-benzoyl-4,4-diethylpyrazolidine-3,5-dione"	388185	"NSC682750; CHEMBL1992866; NSC-682750; NCI60_029643; 1-(4-Chlorobenzoyl)-2-benzoyl-4,4-diethylpyrazolidine-3,5-dione; 1-Benzoyl-2-(4-chlorobenzoyl)-4,4-diethyl-3,5-pyrazolidinedione; 1-benzoyl-2-(4-chlorobenzoyl)-4,4-diethyl-pyrazolidine-3,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682750	.	.	.	.	398.8	C21H19ClN2O4	74.8	647	4.5	28	0	4	4	"InChI=1S/C21H19ClN2O4/c1-3-21(4-2)19(27)23(17(25)14-8-6-5-7-9-14)24(20(21)28)18(26)15-10-12-16(22)13-11-15/h5-13H,3-4H2,1-2H3"	CCC1(C(=O)N(N(C1=O)C(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3)CC	IPDIVZJGYSFDIA-UHFFFAOYSA-N
DG56976	"1-(2-Chlorobenzoyl)-2-(4-chlorobenzoyl)-4,4-diethyl-3,5-pyrazolidinedione"	388186	"NSC682751; CHEMBL1969233; NSC-682751; NCI60_029644; 1-(2-Chlorobenzoyl)-2-(4-chlorobenzoyl)-4,4-diethyl-3,5-pyrazolidinedione; 1-(4-Chlorobenzoyl)-2-(2-chlorobenzoyl)-4,4-diethylpyrazolidine-3,5-dione; 1-(2-chlorobenzoyl)-2-(4-chlorobenzoyl)-4,4-diethyl-pyrazolidine-3,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682751	.	.	.	.	433.3	C21H18Cl2N2O4	74.8	686	5.1	29	0	4	4	"InChI=1S/C21H18Cl2N2O4/c1-3-21(4-2)19(28)24(17(26)13-9-11-14(22)12-10-13)25(20(21)29)18(27)15-7-5-6-8-16(15)23/h5-12H,3-4H2,1-2H3"	CCC1(C(=O)N(N(C1=O)C(=O)C2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)Cl)CC	FVOYDEJWHVOVFB-UHFFFAOYSA-N
DG56977	"2'-(4-Chlorobenzoyl)-1'-(4-chlorophenyl)-1'-hydroxyspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione"	388188	"NSC682756; CHEMBL1985047; NSC-682756; NCI60_029646; 2'-(4-chlorobenzoyl)-1'-(4-chlorophenyl)-1'-hydroxy-spiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione; Spiro[4H-1-benzazepine-4,1'-cyclohexane]-2,5(1H,3H)-dione, 3'-(4-chlorobenzoyl)-4'-(4-chlorophenyl)-4'-hydroxy-; Spiro[4H-1-benzazepine-4,5(1H,3H)-dione, 4'-(4-chlorophenyl)-3'-[(4-chlorophenyl)carbonyl]- 4'-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682756	.	.	.	.	508.4	C28H23Cl2NO4	83.5	835	5	35	2	4	3	"InChI=1S/C28H23Cl2NO4/c29-19-9-5-17(6-10-19)25(33)22-15-27(13-14-28(22,35)18-7-11-20(30)12-8-18)16-24(32)31-23-4-2-1-3-21(23)26(27)34/h1-12,22,35H,13-16H2,(H,31,32)"	C1CC(C(CC12CC(=O)NC3=CC=CC=C3C2=O)C(=O)C4=CC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)O	VGJJUMQUBMBUNH-UHFFFAOYSA-N
DG56978	"1'-Hydroxy-2'-(4-methoxybenzoyl)-1'-(4-methoxyphenyl)spiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione"	388190	"NSC682758; CHEMBL2004161; NSC-682758; 1'-hydroxy-2'-(4-methoxybenzoyl)-1'-(4-methoxyphenyl)spiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione; NCI60_029648; Spiro[4H-1-benzazepine-4,1'-cyclohexane]-2,5(1H,3H)-dione, 4'-hydroxy-3'-(4-methoxybenzoyl)-4'-(4-methoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682758	.	.	.	.	499.6	C30H29NO6	102	860	3.7	37	2	6	5	"InChI=1S/C30H29NO6/c1-36-21-11-7-19(8-12-21)27(33)24-17-29(15-16-30(24,35)20-9-13-22(37-2)14-10-20)18-26(32)31-25-6-4-3-5-23(25)28(29)34/h3-14,24,35H,15-18H2,1-2H3,(H,31,32)"	COC1=CC=C(C=C1)C(=O)C2CC3(CCC2(C4=CC=C(C=C4)OC)O)CC(=O)NC5=CC=CC=C5C3=O	AKNPFHIACHOPAR-UHFFFAOYSA-N
DG56979	"Spiro(4H-1-benzazepine-4,1'-cyclohexane)-2,5(1H,3H)-dione, 4'-hydroxy-3'-(4-methylbenzoyl)-4'-(4-methylphenyl)-"	388193	"NSC682761; 190334-45-3; Spiro(4H-1-benzazepine-4,1'-cyclohexane)-2,5(1H,3H)-dione, 4'-hydroxy-3'-(4-methylbenzoyl)-4'-(4-methylphenyl)-; Spiro[4H-1-benzazepine-4,1'-cyclohexane]-2,5(1H,3H)-dione, 4'-hydroxy-3'-(4-methylbenzoyl)-4'-(4-methylphenyl)-; NSC 682761; CHEMBL1965192; DTXSID10940584; NSC-682761; NCI60_029651; 1'-hydroxy-2'-(4-methylbenzoyl)-1'-(p-tolyl)spiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione; 2,4'-Dihydroxy-3'-(4-methylbenzoyl)-4'-(4-methylphenyl)spiro[1-benzazepine-4,1'-cyclohexan]-5(3H)-one; Spiro[4H-1-benzazepine-4,5(1H,3H)-dione, 4'-hydroxy-3'-(4-methylbenzoyl)-4'-(4-methylphenyl)-, (1'.alpha.,3'.alpha.,4'.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682761	.	.	.	.	467.6	C30H29NO4	83.5	824	4.5	35	2	4	3	"InChI=1S/C30H29NO4/c1-19-7-11-21(12-8-19)27(33)24-17-29(15-16-30(24,35)22-13-9-20(2)10-14-22)18-26(32)31-25-6-4-3-5-23(25)28(29)34/h3-14,24,35H,15-18H2,1-2H3,(H,31,32)"	CC1=CC=C(C=C1)C(=O)C2CC3(CCC2(C4=CC=C(C=C4)C)O)CC(=O)NC5=CC=CC=C5C3=O	JRGKQMNVZWSJDM-UHFFFAOYSA-N
DG56980	"1'-Hydroxy-2'-(naphthalene-2-carbonyl)-1'-naphthalen-2-ylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione"	388194	"NSC682762; CHEMBL2004253; NSC-682762; NCI60_029652; 1'-hydroxy-2'-(naphthalene-2-carbonyl)-1'-(2-naphthyl)spiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione; Spiro[4H-1-benzazepine-4,1'-cyclohexane]-2,5(1H,3H)-dione, 4'-hydroxy-4'-(2-naphthalenyl)-3'-(2-naphthalenylcarbonyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682762	.	.	.	.	539.6	C36H29NO4	83.5	1030	6.3	41	2	4	3	"InChI=1S/C36H29NO4/c38-32-22-35(34(40)29-11-5-6-12-31(29)37-32)17-18-36(41,28-16-15-24-8-2-4-10-26(24)20-28)30(21-35)33(39)27-14-13-23-7-1-3-9-25(23)19-27/h1-16,19-20,30,41H,17-18,21-22H2,(H,37,38)"	C1CC(C(CC12CC(=O)NC3=CC=CC=C3C2=O)C(=O)C4=CC5=CC=CC=C5C=C4)(C6=CC7=CC=CC=C7C=C6)O	TZDVLBTZGPXTJD-UHFFFAOYSA-N
DG56981	"1'-Hydroxy-2'-(naphthalene-1-carbonyl)-1'-naphthalen-1-ylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione"	388195	"NSC682763; CHEMBL1992186; NSC-682763; NCI60_029653; 1'-hydroxy-2'-(naphthalene-1-carbonyl)-1'-(1-naphthyl)spiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione; Spiro[4H-1-benzazepine-4,1'-cyclohexane]-2,5(1H,3H)-dione, 4'-hydroxy-4'-(1-naphthalenyl)-3'-(1-naphthalenylcarbonyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682763	.	.	.	.	539.6	C36H29NO4	83.5	1030	6.3	41	2	4	3	"InChI=1S/C36H29NO4/c38-32-22-35(34(40)28-15-5-6-18-31(28)37-32)19-20-36(41,29-17-8-12-24-10-2-4-14-26(24)29)30(21-35)33(39)27-16-7-11-23-9-1-3-13-25(23)27/h1-18,30,41H,19-22H2,(H,37,38)"	C1CC(C(CC12CC(=O)NC3=CC=CC=C3C2=O)C(=O)C4=CC=CC5=CC=CC=C54)(C6=CC=CC7=CC=CC=C76)O	MSLGCMQUDIDOPB-UHFFFAOYSA-N
DG56982	"4-(4-Chlorophenyl)-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one"	388196	"NSC682764; CHEMBL1969469; 4-(4-chlorophenyl)-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one; NSC-682764; 4-(4-Chlorophenyl)-2-phenyl-5,7-dihydro-6H-pyrido[3,2-d][1]benzazepin-6-one; NCI60_029654; Pyrido[3, 4-(4-chlorophenyl)-2-phenyl-; 2-Phenyl-4-(4-chlorophenyl)-1,7-diaza-5H-dibenzo[a,c]cycloheptene-6(7H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682764	.	.	.	.	396.9	C25H17ClN2O	42	569	5.3	29	1	2	2	"InChI=1S/C25H17ClN2O/c26-18-12-10-16(11-13-18)20-14-23(17-6-2-1-3-7-17)28-25-19-8-4-5-9-22(19)27-24(29)15-21(20)25/h1-14H,15H2,(H,27,29)"	C1C2=C(C3=CC=CC=C3NC1=O)N=C(C=C2C4=CC=C(C=C4)Cl)C5=CC=CC=C5	ZCQPIJNMUTYFPC-UHFFFAOYSA-N
DG56983	"2-(4-Chlorophenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one"	388197	"NSC682765; CHEMBL1976448; 2-(4-chlorophenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one; NSC-682765; 2-(4-Chlorophenyl)-4-phenyl-5,7-dihydro-6H-pyrido[3,2-d][1]benzazepin-6-one; NCI60_029655; 2-(4-Chlorophenyl)-4-phenyl-1,7-diaza-5H-dibenzo[a,c]cycloheptene-6(7H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682765	.	.	.	.	396.9	C25H17ClN2O	42	569	5.3	29	1	2	2	"InChI=1S/C25H17ClN2O/c26-18-12-10-17(11-13-18)23-14-20(16-6-2-1-3-7-16)21-15-24(29)27-22-9-5-4-8-19(22)25(21)28-23/h1-14H,15H2,(H,27,29)"	C1C2=C(C3=CC=CC=C3NC1=O)N=C(C=C2C4=CC=CC=C4)C5=CC=C(C=C5)Cl	BLFPIZOYOPMKRK-UHFFFAOYSA-N
DG56984	"2-(4-Methoxyphenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one"	388198	"NSC682766; CHEMBL1985908; 2-(4-methoxyphenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one; NSC-682766; 2-(4-Methoxyphenyl)-4-phenyl-5,7-dihydro-6H-pyrido[3,2-d][1]benzazepin-6-one; NCI60_029656; 4-Phenyl-2-(4-methoxyphenyl)-1,7-diaza-5H-dibenzo[a,c]cycloheptene-6(7H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682766	.	.	.	.	392.4	C26H20N2O2	51.2	582	4.6	30	1	3	3	"InChI=1S/C26H20N2O2/c1-30-19-13-11-18(12-14-19)24-15-21(17-7-3-2-4-8-17)22-16-25(29)27-23-10-6-5-9-20(23)26(22)28-24/h2-15H,16H2,1H3,(H,27,29)"	COC1=CC=C(C=C1)C2=NC3=C(CC(=O)NC4=CC=CC=C43)C(=C2)C5=CC=CC=C5	XFIIQAJSZDQULU-UHFFFAOYSA-N
DG56985	"2-Phenyl-4-(2-thienyl)-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one"	388199	"NSC682767; CHEMBL1971408; NSC-682767; NCI60_029657; 8-(2-Thienyl)-10-phenyl-11-aza-5H-dibenzo[b,d]azepine-6(7H)-one; 2-Phenyl-4-(2-thienyl)-5,7-dihydro-6H-pyrido[3,2-d][1]benzazepin-6-one; 2-phenyl-4-(2-thienyl)-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682767	.	.	.	.	368.5	C23H16N2OS	70.2	535	4.4	27	1	3	2	"InChI=1S/C23H16N2OS/c26-22-14-18-17(21-11-6-12-27-21)13-20(15-7-2-1-3-8-15)25-23(18)16-9-4-5-10-19(16)24-22/h1-13H,14H2,(H,24,26)"	C1C2=C(C3=CC=CC=C3NC1=O)N=C(C=C2C4=CC=CS4)C5=CC=CC=C5	MDGMACJYKCJWGC-UHFFFAOYSA-N
DG56986	"2-(2-Naphthyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one"	388200	"NSC682768; CHEMBL1987202; NSC-682768; NCI60_029658; 2-(2-Naphthyl)-4-phenyl-1,7-diaza-5H-dibenzo[a,c]cycloheptene-6(7H)-one; 2-(2-naphthyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one; 2-(2-Naphthyl)-4-phenyl-5,7-dihydro-6H-pyrido[3,2-d][1]benzazepin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682768	.	.	.	.	412.5	C29H20N2O	42	658	5.9	32	1	2	2	"InChI=1S/C29H20N2O/c32-28-18-25-24(20-9-2-1-3-10-20)17-27(22-15-14-19-8-4-5-11-21(19)16-22)31-29(25)23-12-6-7-13-26(23)30-28/h1-17H,18H2,(H,30,32)"	C1C2=C(C3=CC=CC=C3NC1=O)N=C(C=C2C4=CC=CC=C4)C5=CC6=CC=CC=C6C=C5	IZKQUXVZUPLRGB-UHFFFAOYSA-N
DG56987	"4-(3,4-Dimethoxyphenyl)-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one"	388201	"NSC682769; 4-(3,4-dimethoxyphenyl)-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one; NCIMech_000875; CHEMBL2004687; CCG-35844; NSC-682769; NCI60_029659; 5H-Pyrido[3, 4-(3,4-dimethoxyphenyl)-2-phenyl-; 5H-Pyrido[3,2-d][2]benzazepin-6(7H)-one, 4-(3,4-dimethoxyphenyl)-2-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682769	.	.	.	.	422.5	C27H22N2O3	60.4	636	4.6	32	1	4	4	"InChI=1S/C27H22N2O3/c1-31-24-13-12-18(14-25(24)32-2)20-15-23(17-8-4-3-5-9-17)29-27-19-10-6-7-11-22(19)28-26(30)16-21(20)27/h3-15H,16H2,1-2H3,(H,28,30)"	COC1=C(C=C(C=C1)C2=CC(=NC3=C2CC(=O)NC4=CC=CC=C43)C5=CC=CC=C5)OC	SGZJSYXKEGHHMW-UHFFFAOYSA-N
DG56988	4-methyl-N-[4-[(4-methylanilino)diazenyl]butyldiazenyl]aniline	388204	NSC682789; CHEMBL1970871; NSC-682789; NCI60_029662	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682789	.	.	.	.	324.4	C18H24N6	73.5	332	5.8	24	2	6	9	"InChI=1S/C18H24N6/c1-15-5-9-17(10-6-15)21-23-19-13-3-4-14-20-24-22-18-11-7-16(2)8-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,19,21)(H,20,22)"	CC1=CC=C(C=C1)NN=NCCCCN=NNC2=CC=C(C=C2)C	UNWWRHHZUPRHQS-UHFFFAOYSA-N
DG56989	"1-[4-[Tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tetrahydrofuran-2-yl]-5-fluoro-pyrimidine-2,4-dione"	388209	"NSC682803; CHEMBL2001681; NSC-682803; NCI60_029668; 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tetrahydrofuran-2-yl]-5-fluoro-pyrimidine-2,4-dione; 2,4(1H,3H)-Pyrimidinedione, 1-[2-deoxy-3,5-bis-O-[(1,1-dimethylethyl)dimethylsilyl]pentofuranosyl]-5-fluoro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682803	.	.	.	.	474.7	C21H39FN2O5Si2	77.1	743	.	31	1	6	8	"InChI=1S/C21H39FN2O5Si2/c1-20(2,3)30(7,8)27-13-16-15(29-31(9,10)21(4,5)6)11-17(28-16)24-12-14(22)18(25)23-19(24)26/h12,15-17H,11,13H2,1-10H3,(H,23,25,26)"	CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O[Si](C)(C)C(C)(C)C	XTEPBIUQFMKCPD-UHFFFAOYSA-N
DG56990	NSC682809	388215	"7,7,17,17-Tetraoxo-7lambda6,17lambda6-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),5(9),15(19)-tetraene-2,12-dione; NSC682809; tetraoxo[ ]dione; CHEMBL1993721; NSC-682809; NCI60_029674; 2,2,8-Trioxo-2,3,4,7,8,9,10,12-octahydro-1H,6H-2-lambda-~6~,8-lambda-~4~-dithia-dicyclopenta[b,i]anthracene-5,11-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682809	.	.	.	.	392.4	C18H16O6S2	119	993	-2.1	26	0	6	0	"InChI=1S/C18H16O6S2/c19-17-13-1-9-5-25(21,22)6-10(9)2-14(13)18(20)16-4-12-8-26(23,24)7-11(12)3-15(16)17/h1-8H2"	C1C2=C(CC3=C1C(=O)C4=C(C3=O)CC5=C(C4)CS(=O)(=O)C5)CS(=O)(=O)C2	GOCPEQSVMMQQSX-UHFFFAOYSA-N
DG56991	1-Amino-3-(2-chloroethyl)-1-methyl-urea	388219	NSC682813; 1-amino-3-(2-chloroethyl)-1-methyl-urea; CHEMBL1981342; NSC-682813; NCI60_029678; N-(2-Chloroethyl)-1-methylhydrazinecarboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682813	.	.	.	.	151.59	C4H10ClN3O	58.4	97.8	-0.6	9	2	2	2	"InChI=1S/C4H10ClN3O/c1-8(6)4(9)7-3-2-5/h2-3,6H2,1H3,(H,7,9)"	CN(C(=O)NCCCl)N	SGZGTYYQZVDOGX-UHFFFAOYSA-N
DG56992	Unii-W01GT2R6X2	388222	"NSC682815; UNII-W01GT2R6X2; W01GT2R6X2; 146065-61-4; 12H-7,11-Nitrilo-6H,20H-dibenzo(b,m)(1,15,5,8,11)dioxatriazacyclodocosine, 21,22,23,24-tetrahydro-, (18Z,25Z)-; 12H-7,11-Nitrilo-6H,20H-dibenzo[b,m][1,15,5,8,11]dioxatriazacyclodocosine, 21,22,23,24-tetrahydro-, (18Z,25Z)-; NSC 682815; CHEMBL1997887; ZINC5580364; ZINC102964156; ZINC104279584; NSC-682815; NCI60_029680; 12H-7,20H-dibenzo[b,m][1,15,5,8,11] dioxatriazacyclodocosine, 21,22,23,24-tetrahydro-; 21,22,23,24-Tetrahydro-12H-7,11-nitrilo-6H,20H-dibenzo(b,m)(1,15,5,8,11)dioxatriazacyclodocosine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682815	.	.	.	.	414.5	C25H26N4O2	68.1	524	1.9	31	1	6	0	"InChI=1S/C25H26N4O2/c1-3-10-24-20(6-1)16-27-14-12-26-13-15-28-17-21-7-2-4-11-25(21)31-19-23-9-5-8-22(29-23)18-30-24/h1-11,16-17,26H,12-15,18-19H2"	C1CN=CC2=CC=CC=C2OCC3=NC(=CC=C3)COC4=CC=CC=C4C=NCCN1	CPUMPYHWJQXHHV-UHFFFAOYSA-N
DG56993	NSC682816	388223	"10,18-Dioxa-2,26,32-triazapentacyclo[25.2.2.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,12(32),13,15,19,21,23,25,27(31),28-tetradecaene; NSC682816; CHEMBL1996870; NSC-682816; NCI60_029681; 12H-20,23-Etheno-7,11-nitrilo-6H-dibenzo[b,l][1,14,5,10]dioxadiazacycloheneicosine, (18Z,24Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682816	.	.	.	.	419.5	C27H21N3O2	56.1	578	4.1	32	0	5	0	"InChI=1S/C27H21N3O2/c1-3-10-26-20(6-1)16-28-22-12-14-23(15-13-22)29-17-21-7-2-4-11-27(21)32-19-25-9-5-8-24(30-25)18-31-26/h1-17H,18-19H2"	C1C2=NC(=CC=C2)COC3=CC=CC=C3C=NC4=CC=C(C=C4)N=CC5=CC=CC=C5O1	MWNGRIIXXJKINO-UHFFFAOYSA-N
DG56994	NSC682817	388224	"14,22-Dioxa-6,30,36-triazahexacyclo[29.2.2.22,5.116,20.08,13.023,28]octatriaconta-1(34),2(38),3,5(37),6,8,10,12,16(36),17,19,23,25,27,29,31(35),32-heptadecaene; NSC682817; CHEMBL1989767; NSC-682817; NCI60_029682; 7,14-Dietheno-28H-23,27-nitrilo-22H-dibenzo[b,p] [1,18,5,14]dioxadiazacyclopentacosine; (6Z,29Z)-14,22-Dioxa-6,30,36-triazahexacyclo[29.2.2.2~2,5~.1~16,20~.0~8,13~.0~23,28~]octatriaconta-1(33),2,4,6,8,10,12,16(36),17,19,23,25,27,29,31,34,37-heptadecaene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682817	.	.	.	.	495.6	C33H25N3O2	56.1	708	5.8	38	0	5	0	"InChI=1S/C33H25N3O2/c1-3-10-32-26(6-1)20-34-28-16-12-24(13-17-28)25-14-18-29(19-15-25)35-21-27-7-2-4-11-33(27)38-23-31-9-5-8-30(36-31)22-37-32/h1-21H,22-23H2"	C1C2=NC(=CC=C2)COC3=CC=CC=C3C=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=CC6=CC=CC=C6O1	CCWMEUGJIIMLHD-UHFFFAOYSA-N
DG56995	"3-(4-Chlorophenyl)-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole"	388249	"NSC682860; 3-(4-chlorophenyl)-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole; CHEMBL1983937; NSC-682860; NCI60_029705; [1]Benzopyrano[3, 3-(4-chlorophenyl)- 2,3-dihydro-; [1]Benzopyrano[3,4-c]pyrazole, 3-(4-chlorophenyl)- 2,3-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682860	.	.	.	.	284.74	C16H13ClN2O	33.6	392	3.7	20	1	3	1	"InChI=1S/C16H13ClN2O/c17-11-7-5-10(6-8-11)15-13-9-20-14-4-2-1-3-12(14)16(13)19-18-15/h1-8,13,15,18H,9H2"	C1C2C(NN=C2C3=CC=CC=C3O1)C4=CC=C(C=C4)Cl	DCRMYJXEUHIEHL-UHFFFAOYSA-N
DG56996	"3-(4-chlorophenyl)-2-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole"	388250	"NSC682861; CHEMBL2001435; 3-(4-chlorophenyl)-2-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole; 3-(4-Chlorophenyl)-2-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole; NSC-682861; NCI60_029706; [1]Benzopyrano[3, 3-(4-chlorophenyl)- 2,3-dihydro-2-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682861	.	.	.	.	360.8	C22H17ClN2O	24.8	524	5.4	26	0	3	2	"InChI=1S/C22H17ClN2O/c23-16-12-10-15(11-13-16)22-19-14-26-20-9-5-4-8-18(20)21(19)24-25(22)17-6-2-1-3-7-17/h1-13,19,22H,14H2"	C1C2C(N(N=C2C3=CC=CC=C3O1)C4=CC=CC=C4)C5=CC=C(C=C5)Cl	FMMCIVXQBOSDGP-UHFFFAOYSA-N
DG56997	"4-(4-Chlorophenyl)-1,2,5,6-tetrahydrobenzo[h]quinazolin-2-amine"	388253	"NSC682864; 4-(4-chlorophenyl)-1,2,5,6-tetrahydrobenzo[h]quinazolin-2-amine; CHEMBL1976935; NSC-682864; NCI60_029709; Benzo[h]quinazolin-2-amine, 4-(4-chlorophenyl)-1,2,5,6-tetrahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682864	.	.	.	.	309.8	C18H16ClN3	50.4	491	3.5	22	2	3	1	"InChI=1S/C18H16ClN3/c19-13-8-5-12(6-9-13)16-15-10-7-11-3-1-2-4-14(11)17(15)22-18(20)21-16/h1-6,8-9,18,22H,7,10,20H2"	C1CC2=C(C3=CC=CC=C31)NC(N=C2C4=CC=C(C=C4)Cl)N	QYKUVRRPDDEXDP-UHFFFAOYSA-N
DG56998	"Ethanone,6-dihydro-9-methyl-7H-benzo[h]thiazolo[2,3-b]quinazolin-10-yl]-"	388255	"NSC682866; CHEMBL1991526; NSC-682866; NCI60_029711; 1-[(4-chlorophenyl)-methyl-[ ]yl]ethanone; Ethanone,6-dihydro-9-methyl- 7H-benzo[h]thiazolo[2,3-b]quinazolin-10-yl]-; 1-(7-(4-Chlorophenyl)-9-methyl-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10-yl)ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682866	.	.	.	.	406.9	C23H19ClN2OS	58	778	4.6	28	0	3	2	"InChI=1S/C23H19ClN2OS/c1-13-22(14(2)27)28-23-25-20-18-6-4-3-5-15(18)9-12-19(20)21(26(13)23)16-7-10-17(24)11-8-16/h3-8,10-11,21H,9,12H2,1-2H3"	CC1=C(SC2=NC3=C(CCC4=CC=CC=C43)C(N12)C5=CC=C(C=C5)Cl)C(=O)C	AISFHTULNVBVHT-UHFFFAOYSA-N
DG56999	NSC682868	388257	"1-[11-(4-Methoxyphenyl)-13-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone; NSC682868; CHEMBL1987277; NSC-682868; NCI60_029713; 1-[(4-methoxyphenyl)-methyl-[ ]yl]ethanone; Ethanone, 1-[5,7-dihydro-7-(4-methoxyphenyl)-9-methyl-6H-benzo[h]thiazolo[2,3-b]quinazolin-10-yl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682868	.	.	.	.	402.5	C24H22N2O2S	67.2	791	3.9	29	0	4	3	"InChI=1S/C24H22N2O2S/c1-14-23(15(2)27)29-24-25-21-19-7-5-4-6-16(19)10-13-20(21)22(26(14)24)17-8-11-18(28-3)12-9-17/h4-9,11-12,22H,10,13H2,1-3H3"	CC1=C(SC2=NC3=C(CCC4=CC=CC=C43)C(N12)C5=CC=C(C=C5)OC)C(=O)C	SEKSEGCZJSHSEM-UHFFFAOYSA-N
DG57000	NSC682869	388258	"1-[11-(4-Fluorophenyl)-13-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone; NSC682869; CHEMBL1984646; NSC-682869; NCI60_029714; 1-[(4-fluorophenyl)-methyl-[ ]yl]ethanone; Ethanone, 1-[7-(4-fluorophenyl)-5,7-dihydro-9-methyl-6H-benzo[h]thiazolo[2,3-b]quinazolin-10-yl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682869	.	.	.	.	390.5	C23H19FN2OS	58	778	4.1	28	0	4	2	"InChI=1S/C23H19FN2OS/c1-13-22(14(2)27)28-23-25-20-18-6-4-3-5-15(18)9-12-19(20)21(26(13)23)16-7-10-17(24)11-8-16/h3-8,10-11,21H,9,12H2,1-2H3"	CC1=C(SC2=NC3=C(CCC4=CC=CC=C43)C(N12)C5=CC=C(C=C5)F)C(=O)C	UFIZMYKTTQBBRM-UHFFFAOYSA-N
DG57001	Ethyl 4-(5-cyano-2-methyl-1-phenyl-6-thioxo-pyrimidin-4-yl)piperazine-1-carboxylate	388267	"NSC682881; CHEMBL2004456; NSC-682881; NCI60_029719; ethyl 4-(5-cyano-2-methyl-1-phenyl-6-thioxo-pyrimidin-4-yl)piperazine-1-carboxylate; 1-[(1-Phenyl-2-methyl-5-cyano-6-thioxo-1,6-dihydropyrimidin)-4-yl]piperazine-4-carboxylic acid ethyl ester; Ethyl 4-(5-cyano-2-methyl-1-phenyl-6-thioxo-1,6-dihydro-4-pyrimidinyl)-1-piperazinecarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682881	.	.	.	.	383.5	C19H21N5O2S	104	709	1.9	27	0	6	4	"InChI=1S/C19H21N5O2S/c1-3-26-19(25)23-11-9-22(10-12-23)17-16(13-20)18(27)24(14(2)21-17)15-7-5-4-6-8-15/h4-8H,3,9-12H2,1-2H3"	CCOC(=O)N1CCN(CC1)C2=C(C(=S)N(C(=N2)C)C3=CC=CC=C3)C#N	WNIKPTSOQOWMPU-UHFFFAOYSA-N
DG57002	NSC682915	388274	"4,6-Diamino-12-[(4-chlorophenyl)methyl]-5,7,9,12-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-10-one; NSC682915; CHEMBL2002797; NSC-682915; NCI60_029726"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682915	.	.	.	.	404.9	C21H17ClN6O	112	614	3.3	29	3	5	2	"InChI=1S/C21H17ClN6O/c22-12-7-5-11(6-8-12)10-28-16-4-2-1-3-13(16)14-9-15-18(23)25-21(24)27-19(15)26-20(29)17(14)28/h1-8H,9-10H2,(H5,23,24,25,26,27,29)"	C1C2=C(C(=O)NC3=NC(=NC(=C31)N)N)N(C4=CC=CC=C24)CC5=CC=C(C=C5)Cl	IBMDVCKQLRMOIQ-UHFFFAOYSA-N
DG57003	Ethyl 4-[(2-benzoyl-1-cyano-1-isoquinolyl)methyl]pyridine-3-carboxylate	388283	"NSC682923; CHEMBL1973753; NSC-682923; NCI60_029734; Ethyl 4-((2-benzoyl-1-cyano-1,2-dihydro-1-isoquinolinyl)methyl)nicotinate; ethyl 4-[(2-benzoyl-1-cyano-1-isoquinolyl)methyl]pyridine-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682923	.	.	.	.	423.5	C26H21N3O3	83.3	766	3.9	32	0	5	6	"InChI=1S/C26H21N3O3/c1-2-32-25(31)22-17-28-14-12-21(22)16-26(18-27)23-11-7-6-8-19(23)13-15-29(26)24(30)20-9-4-3-5-10-20/h3-15,17H,2,16H2,1H3"	CCOC(=O)C1=C(C=CN=C1)CC2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N	OLPGJVHTFSXMJW-UHFFFAOYSA-N
DG57004	"8H-Isoquino[2,1-b][2,7]naphthyridin-8-one"	388284	"NSC682924; 8H-Isoquino[2,1-b][2,7]naphthyridin-8-one; isoquinolino[2,1-b][2,7]naphthyridin-8-one; CHEMBL1987435; ZINC1648896; NSC-682924; NCI60_029735"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682924	.	.	.	.	246.26	C16H10N2O	33.2	454	2.2	19	0	2	0	InChI=1S/C16H10N2O/c19-16-14-10-17-7-5-12(14)9-15-13-4-2-1-3-11(13)6-8-18(15)16/h1-10H	C1=CC=C2C(=C1)C=CN3C2=CC4=C(C3=O)C=NC=C4	MHAOLOCIMUJCIB-UHFFFAOYSA-N
DG57005	NSC682931	388290	"diethyl (6S,8R)-6-methyl-5,9-bis(4-nitrophenyl)-8-phenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,10,13,15-pentaene-3,11-dicarboxylate; NSC682931; CHEMBL2000453; ZINC82185013; NSC-682931; NCI60_029741; diethyl methyl-bis(4-nitrophenyl)-phenyl-[ ]dicarboxylate; Diethyl 8,10-bis(4-(hydroxy(oxido)amino)phenyl)-8a-methyl-9a-phenyl-8a,9,9a,10-tetrahydro-8H-di[1,2,4]triazolo[4,3-a:3,4-d][1,5]benzodiazepine-6,12-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682931	.	.	.	.	704.7	C36H32N8O8	182	1440	7.3	52	0	12	9	"InChI=1S/C36H32N8O8/c1-4-51-33(45)31-37-41(25-15-19-27(20-16-25)43(47)48)35(3)23-36(24-11-7-6-8-12-24)40(30-14-10-9-13-29(30)39(31)35)32(34(46)52-5-2)38-42(36)26-17-21-28(22-18-26)44(49)50/h6-22H,4-5,23H2,1-3H3/t35-,36+/m0/s1"	CCOC(=O)C1=NN([C@@]2(N1C3=CC=CC=C3N4C(=NN([C@]4(C2)C5=CC=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-])C(=O)OCC)C)C7=CC=C(C=C7)[N+](=O)[O-]	AZSNWJZCHJVPIN-MPQUPPDSSA-N
DG57006	"3-[6-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]chromen-2-one"	388291	"NSC682932; CHEMBL1981365; NSC-682932; NCI60_029742; 3-(6-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl)-2H-chromen-2-one; 3-[6-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]chromen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682932	.	.	.	.	495.5	C30H25NO6	76.1	781	5.7	37	0	7	7	"InChI=1S/C30H25NO6/c1-33-22-11-9-18(10-12-22)24-14-20(21-16-27(34-2)29(36-4)28(17-21)35-3)15-25(31-24)23-13-19-7-5-6-8-26(19)37-30(23)32/h5-17H,1-4H3"	COC1=CC=C(C=C1)C2=NC(=CC(=C2)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC5=CC=CC=C5OC4=O	WWPDWKGWRGAPEM-UHFFFAOYSA-N
DG57007	Withafastuosin D diacetate	388300	NSC682990; Withafastuosin D diacetate; CHEMBL2373785; NSC-682990; NCI60_029746	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682990	.	.	.	.	554.7	C32H42O8	109	1200	4.3	40	0	8	8	"InChI=1S/C32H42O8/c1-17-13-26(39-29(36)21(17)15-37-18(2)33)22(16-38-19(3)34)24-9-8-23-20-14-28-32(40-28)11-6-7-27(35)31(32,5)25(20)10-12-30(23,24)4/h6-7,20,22-26,28H,8-16H2,1-5H3/t20 ,22-,23 ,24 ,25 ,26+,28+,30-,31-,32+/m0/s1"	CC1=C(C(=O)O[C@H](C1)[C@@H](COC(=O)C)C2CCC3[C@@]2(CCC4C3C[C@@H]5[C@]6([C@@]4(C(=O)C=CC6)C)O5)C)COC(=O)C	GYBJOJPNTGACJD-VGNPPRNCSA-N
DG57008	"Benzo[1,5-b']-dithiophene-4,8-dione, 2,6-dinitro-"	388301	"NSC682991; CHEMBL1974158; NSC-682991; NCI60_029747; Benzo[1,5-b']-dithiophene-4,8-dione, 2,6-dinitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682991	.	.	.	.	310.3	C10H2N2O6S2	182	469	3.2	20	0	8	0	InChI=1S/C10H2N2O6S2/c13-7-3-1-5(11(15)16)19-9(3)8(14)4-2-6(12(17)18)20-10(4)7/h1-2H	C1=C(SC2=C1C(=O)C3=C(C2=O)C=C(S3)[N+](=O)[O-])[N+](=O)[O-]	JINIASJFBXDUOB-UHFFFAOYSA-N
DG57009	"Benzo[1,5-b']dithiophene-4,8-diol, dipropionate"	388303	"NSC682993; CHEMBL1995162; NSC-682993; NCI60_029749; Benzo[1,5-b']dithiophene-4,8-diol, dipropionate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682993	.	.	.	.	334.4	C16H14O4S2	109	402	4.4	22	0	6	6	"InChI=1S/C16H14O4S2/c1-3-11(17)19-13-9-5-7-22-16(9)14(20-12(18)4-2)10-6-8-21-15(10)13/h5-8H,3-4H2,1-2H3"	CCC(=O)OC1=C2C=CSC2=C(C3=C1SC=C3)OC(=O)CC	OVFXCBKEPLFEQJ-UHFFFAOYSA-N
DG57010	"Benzo[1,5-b']dithiophene-4,8-diol,diester with butanoic acid"	388304	"NSC682994; Neuro_000418; CHEMBL1997142; NSC-682994; NCI60_029750; Butanoic acid,2-b:4,5-b']dithiophene- 4,8-diyl diester; Benzo[1,5-b']dithiophene-4,8-diol,diester with butanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682994	.	.	.	.	362.5	C18H18O4S2	109	428	5.1	24	0	6	8	"InChI=1S/C18H18O4S2/c1-3-5-13(19)21-15-11-7-9-24-18(11)16(22-14(20)6-4-2)12-8-10-23-17(12)15/h7-10H,3-6H2,1-2H3"	CCCC(=O)OC1=C2C=CSC2=C(C3=C1SC=C3)OC(=O)CCC	UAMSHYUZUQTIGN-UHFFFAOYSA-N
DG57011	"5,8-Quinolinedione, 2-methyl-"	388305	"2-methylquinoline-5,8-dione; 5,8-Quinolinedione, 2-methyl-; 90800-33-2; 2-methyl-5,8-dihydro-5,8-dioxoquinoline; NSC682995; 5, 2-methyl-; SCHEMBL2599222; CHEMBL2002259; DTXSID60327760; NSC-682995; NCI60_029751"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682995	.	.	.	.	173.17	C10H7NO2	47	283	1.1	13	0	3	0	"InChI=1S/C10H7NO2/c1-6-2-3-7-8(12)4-5-9(13)10(7)11-6/h2-5H,1H3"	CC1=NC2=C(C=C1)C(=O)C=CC2=O	SYRKLPUYGHMXDN-UHFFFAOYSA-N
DG57012	"5,8-Quinolinedione"	388306	"Quinoline-5,8-dione; 5,8-Quinolinedione; 10470-83-4; 5,8-Quinolinequinone; 5,8-Dihydroquinoline-5,8-dione; quinoline-5,8-quinone; CHEMBL310185; NSC682996; SCHEMBL1507074; DTXSID10146665; ZINC1648910; BDBM50080854; MFCD04038780; AKOS022171853; NSC-682996; SB67507; AC-23188; AS-57312; NCI60_029752; CS-0036310; A896172"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682996	.	.	.	.	159.14	C9H5NO2	47	257	0.7	12	0	3	0	InChI=1S/C9H5NO2/c11-7-3-4-8(12)9-6(7)2-1-5-10-9/h1-5H	C1=CC2=C(C(=O)C=CC2=O)N=C1	NVJSPQCVDHGYRE-UHFFFAOYSA-N
DG57013	"2,8-Dimethylbenzo[g]quinoline-5,10-dione"	388307	NSC682997; CHEMBL1983710; NSC-682997; NCI60_029753	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682997	.	.	.	.	237.25	C15H11NO2	47	379	2.9	18	0	3	0	"InChI=1S/C15H11NO2/c1-8-3-5-10-12(7-8)15(18)13-11(14(10)17)6-4-9(2)16-13/h3-7H,1-2H3"	CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)N=C(C=C3)C	SVLXQOQGBMKLGA-UHFFFAOYSA-N
DG57014	"2,7-Dimethylbenzo[g]quinoline-5,10-dione"	388308	NSC682998; CHEMBL1989146; NSC-682998; NCI60_029754	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682998	.	.	.	.	237.25	C15H11NO2	47	379	2.9	18	0	3	0	"InChI=1S/C15H11NO2/c1-8-3-5-10-12(7-8)14(17)11-6-4-9(2)16-13(11)15(10)18/h3-7H,1-2H3"	CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=N3)C	ZEAIDLOIWYDULE-UHFFFAOYSA-N
DG57015	"(3-acetoxy-6-hex-5-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate"	388309	"NSC683041; CHEMBL1968884; NSC-683041; NCI60_029755; 5-Hexenyl 4,6-di-O-acetyl-2,3-dideoxyhex-2-enopyranoside; (3-acetoxy-6-hex-5-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683041	.	.	.	.	312.36	C16H24O6	71.1	403	2	22	0	6	11	"InChI=1S/C16H24O6/c1-4-5-6-7-10-19-16-9-8-14(21-13(3)18)15(22-16)11-20-12(2)17/h4,8-9,14-16H,1,5-7,10-11H2,2-3H3"	CC(=O)OCC1C(C=CC(O1)OCCCCC=C)OC(=O)C	ICSXSSIMJYVWET-UHFFFAOYSA-N
DG57016	"(3-acetoxy-6-undec-10-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate"	388310	"NSC683042; CHEMBL1971564; NSC-683042; NCI60_029756; 10-Undecenyl 4,6-di-O-acetyl-2,3-dideoxyhex-2-enopyranoside; (3-acetoxy-6-undec-10-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683042	.	.	.	.	382.5	C21H34O6	71.1	473	4.7	27	0	6	16	"InChI=1S/C21H34O6/c1-4-5-6-7-8-9-10-11-12-15-24-21-14-13-19(26-18(3)23)20(27-21)16-25-17(2)22/h4,13-14,19-21H,1,5-12,15-16H2,2-3H3"	CC(=O)OCC1C(C=CC(O1)OCCCCCCCCCC=C)OC(=O)C	WJFWWTCVEIIYIF-UHFFFAOYSA-N
DG57017	"2,5,12-Trimethyl-[1,4]benzodioxino[2,3-g]isoquinolin-2-ium"	388316	"NSC683048; CHEMBL1971524; NSC-683048; 2,5,12-trimethyl-[1,4]benzodioxino[2,3-g]isoquinolin-2-ium; 2,5,12-Trimethyl-2lambda~5~-[1,4]benzodioxino[2,3-g]isoquinoline acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683048	.	.	.	.	337.4	C20H19NO4	62.5	413	.	25	0	4	0	"InChI=1S/C18H16NO2.C2H4O2/c1-11-13-8-9-19(3)10-14(13)12(2)18-17(11)20-15-6-4-5-7-16(15)21-18;1-2(3)4/h4-10H,1-3H3;1H3,(H,3,4)/q+1;/p-1"	CC1=C2C=C[N+](=CC2=C(C3=C1OC4=CC=CC=C4O3)C)C.CC(=O)[O-]	DFUXLFVDZICVFB-UHFFFAOYSA-M
DG57018	"12-(2,6-Difluorophenyl)-13-thia-11,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,15-hexaene"	388318	"NSC683050; (2,6-difluorophenyl)[ ]; CHEMBL1972495; NSC-683050; NCI60_029763; 1H,3H-Naphtho[2',3':4,5]imidazo[1,2-c]thiazole, 1-(2,6-difluorophenyl)-; 3-(2,6-Difluorophenyl)-2-thia-3a,10-diaza-1H,3H-pentaleno[1,2-b]naphthalene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683050	.	.	.	.	338.4	C19H12F2N2S	43.1	468	4.5	24	0	4	1	"InChI=1S/C19H12F2N2S/c20-13-6-3-7-14(21)18(13)19-23-16-9-12-5-2-1-4-11(12)8-15(16)22-17(23)10-24-19/h1-9,19H,10H2"	C1C2=NC3=CC4=CC=CC=C4C=C3N2C(S1)C5=C(C=CC=C5F)F	DTBHBQKQXXBWLM-UHFFFAOYSA-N
DG57019	"5a-Hydroxychromeno[2,3-b]chromen-12-one"	388319	"NSC683054; 5a-hydroxychromeno[2,3-b]chromen-12-one; CHEMBL1976071; NSC-683054; NCI60_029764; 5AH,11H-[1]benzopyrano[2,3-b][1]benzopyran-11-one, 5a-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683054	.	.	.	.	266.25	C16H10O4	55.8	457	2.5	20	1	4	0	"InChI=1S/C16H10O4/c17-15-11-6-2-4-8-14(11)20-16(18)12(15)9-10-5-1-3-7-13(10)19-16/h1-9,18H"	C1=CC=C2C(=C1)C=C3C(=O)C4=CC=CC=C4OC3(O2)O	QACREWIERLDDMW-UHFFFAOYSA-N
DG57020	"2,5a-Dihydroxychromeno[2,3-b]chromen-12-one"	388321	"NSC683056; 2,5a-dihydroxychromeno[2,3-b]chromen-12-one; CHEMBL1982153; NSC-683056; NCI60_029766; 5AH,11H-[1]benzopyrano[2,3-b][1]benzopyran-11-one, 5a,9-dihydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683056	.	.	.	.	282.25	C16H10O5	76	487	2.2	21	2	5	0	"InChI=1S/C16H10O5/c17-10-5-6-14-11(8-10)15(18)12-7-9-3-1-2-4-13(9)20-16(12,19)21-14/h1-8,17,19H"	C1=CC=C2C(=C1)C=C3C(=O)C4=C(C=CC(=C4)O)OC3(O2)O	JNGVFEDIMXTEJH-UHFFFAOYSA-N
DG57021	"1,3,5a-Trihydroxychromeno[2,3-b]chromen-12-one"	388322	"NSC683057; 1,3,5a-trihydroxychromeno[2,3-b]chromen-12-one; CHEMBL2002915; NSC-683057; NCI60_029767; 5AH,11H-[1]benzopyrano[2,3-b][1]benzopyran-11-one, 5a,8,10-trihydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683057	.	.	.	.	298.25	C16H10O6	96.2	517	2.4	22	3	6	0	"InChI=1S/C16H10O6/c17-9-6-11(18)14-13(7-9)22-16(20)10(15(14)19)5-8-3-1-2-4-12(8)21-16/h1-7,17-18,20H"	C1=CC=C2C(=C1)C=C3C(=O)C4=C(C=C(C=C4OC3(O2)O)O)O	MGOCWVNUDPYIGE-UHFFFAOYSA-N
DG57022	Ethyl 3-(4-fluoroanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylate	388326	NSC683061; CHEMBL1967169; ethyl 3-(4-fluoroanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylate; NSC-683061; NCI60_029771; Ethyl 3-(4-fluoroanilino)-7-(trifluoromethyl)-2-quinoxalinecarboxylate; 7-(Trifluoromethyl)-3-[(4-fluorophenyl)amino]quinoxaline-2-carboxylic acid ethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683061	.	.	.	.	379.3	C18H13F4N3O2	64.099	511	5.2	27	1	9	5	"InChI=1S/C18H13F4N3O2/c1-2-27-17(26)15-16(23-12-6-4-11(19)5-7-12)25-13-8-3-10(18(20,21)22)9-14(13)24-15/h3-9H,2H2,1H3,(H,23,25)"	CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)F	QYFRVWLAQZKGPG-UHFFFAOYSA-N
DG57023	3-(4-Methoxyanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid	388327	NSC683062; CHEMBL1974571; 3-(4-methoxyanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid; NSC-683062; NCI60_029772; 3-(4-Methoxyanilino)-7-(trifluoromethyl)-2-quinoxalinecarboxylic acid; 7-(Trifluoromethyl)-3-[(4-methoxyphenyl)amino]quinoxaline-2-carboxylic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683062	.	.	.	.	363.29	C17H12F3N3O3	84.3	497	4.3	26	2	9	4	"InChI=1S/C17H12F3N3O3/c1-26-11-5-3-10(4-6-11)21-15-14(16(24)25)22-13-8-9(17(18,19)20)2-7-12(13)23-15/h2-8H,1H3,(H,21,23)(H,24,25)"	COC1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=O)O	MZCAPXRDAPWCCL-UHFFFAOYSA-N
DG57024	"2-Phenyl-7-(trifluoromethyl)-3-(3,4,5-trimethoxyphenoxy)quinoxalin-5-amine"	388334	"NSC683069; 2-phenyl-7-(trifluoromethyl)-3-(3,4,5-trimethoxyphenoxy)quinoxalin-5-amine; CHEMBL2006754; NSC-683069; NCI60_029779; 2-Phenyl-7-(trifluoromethyl)-3-(3,4,5-trimethoxyphenoxy)-5-quinoxalinamine; 2-Phenyl-7-(trifluoromethyl)-3-(3,4,5-trimethoxyphenoxy)-5-quinoxalinylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683069	.	.	.	.	471.4	C24H20F3N3O4	88.7	637	4.8	34	1	10	6	"InChI=1S/C24H20F3N3O4/c1-31-18-11-15(12-19(32-2)22(18)33-3)34-23-20(13-7-5-4-6-8-13)29-17-10-14(24(25,26)27)9-16(28)21(17)30-23/h4-12H,28H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)OC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N	ZQCJMYOXILPVEI-UHFFFAOYSA-N
DG57025	"Boronic acid, [3-methyl-1-[[1-oxo-4-phenyl-2-[[(2-quinolinyl)carbonyl]amino]butyl]amino]butyl]-"	388335	"NSC683086; CHEMBL1985423; NSC-683086; NCI60_029780; Boronic acid, [3-methyl-1-[[1-oxo-4-phenyl- 2-[[(2-quinolinyl)carbonyl]amino]butyl]amino]butyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683086	.	.	.	.	447.3	C25H30BN3O4	112	627	.	33	4	5	10	"InChI=1S/C25H30BN3O4/c1-17(2)16-23(26(32)33)29-25(31)22(14-12-18-8-4-3-5-9-18)28-24(30)21-15-13-19-10-6-7-11-20(19)27-21/h3-11,13,15,17,22-23,32-33H,12,14,16H2,1-2H3,(H,28,30)(H,29,31)/t22-,23-/m0/s1"	B([C@H](CC(C)C)NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2)(O)O	VBSHLQHMGVSWJF-GOTSBHOMSA-N
DG57026	2-(p-Toluene sulfonyl)-L-glutamic acid hydrazide	388354	NSC683238; CHEMBL1997443; NSC-683238; NCI60_029797; 2-(p-Toluene sulfonyl)-L-glutamic acid hydrazide; N-(4-Hydrazino-1-(hydrazinocarbonyl)-4-oxobutyl)-4-methylbenzenesulfonamide; N-[1-(hydrazinecarbonyl)-4-hydrazino-4-oxo-butyl]-4-methyl-benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683238	.	.	.	.	329.38	C12H19N5O4S	165	482	-1.3	22	5	7	7	"InChI=1S/C12H19N5O4S/c1-8-2-4-9(5-3-8)22(20,21)17-10(12(19)16-14)6-7-11(18)15-13/h2-5,10,17H,6-7,13-14H2,1H3,(H,15,18)(H,16,19)"	CC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)NN)C(=O)NN	ZAPVQEQGHDKANZ-UHFFFAOYSA-N
DG57027	2-(p-Toluene sulfonyl)-L-glutamic acid phenyl hydrazide	388355	NSC683239; CHEMBL2007031; NSC-683239; NCI60_029798; 2-(p-Toluene sulfonyl)-L-glutamic acid phenyl hydrazide; N-[1-(anilinocarbamoyl)-4-oxo-4-(2-phenylhydrazino)butyl]-4-methyl-benzenesulfonamide; 4-Methyl-N-(4-oxo-4-(2-phenylhydrazino)-1-((2-phenylhydrazino)carbonyl)butyl)benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683239	.	.	.	.	481.6	C24H27N5O4S	137	737	4.5	34	5	7	11	"InChI=1S/C24H27N5O4S/c1-18-12-14-21(15-13-18)34(32,33)29-22(24(31)28-26-20-10-6-3-7-11-20)16-17-23(30)27-25-19-8-4-2-5-9-19/h2-15,22,25-26,29H,16-17H2,1H3,(H,27,30)(H,28,31)"	CC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)NNC2=CC=CC=C2)C(=O)NNC3=CC=CC=C3	WUSZCROEPZAEDE-UHFFFAOYSA-N
DG57028	"1,3-Bis(3-fluoro-3,3-dinitro-propyl)urea"	388361	"NSC683256; CHEMBL1971716; NSC-683256; NCI60_029806; 1,3-bis(3-fluoro-3,3-dinitro-propyl)urea; N,N'-Bis(3-fluoro-3,3-bis(hydroxy(oxido)amino)propyl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683256	.	.	.	.	360.19	C7H10F2N6O9	224	461	0.4	24	2	11	6	"InChI=1S/C7H10F2N6O9/c8-6(12(17)18,13(19)20)1-3-10-5(16)11-4-2-7(9,14(21)22)15(23)24/h1-4H2,(H2,10,11,16)"	C(CNC(=O)NCCC([N+](=O)[O-])([N+](=O)[O-])F)C([N+](=O)[O-])([N+](=O)[O-])F	HUASEIIZGIXOQW-UHFFFAOYSA-N
DG57029	"N-[[bis(2-fluoro-2,2-dinitro-ethyl)amino]methoxymethyl]-2-fluoro-N-(2-fluoro-2,2-dinitro-ethyl)-2,2-dinitro-ethanamine"	388362	"NSC683257; Neuro_000419; CHEMBL2000837; NSC-683257; NCI60_029807; Ethanamine, N,N'-[oxybis(methylene)]bis[2-fluoro-N-(2-fluoro-2,2-dinitroethyl)-2,2-dinitro-; N-[[bis(2-fluoro-2,2-dinitro-ethyl)amino]methoxymethyl]-2-fluoro-N-(2-fluoro-2,2-dinitro-ethyl)-2,2-dinitro-ethanamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683257	.	.	.	.	620.25	C10H12F4N10O17	382	861	1	41	0	23	12	"InChI=1S/C10H12F4N10O17/c11-7(17(25)26,18(27)28)1-15(2-8(12,19(29)30)20(31)32)5-41-6-16(3-9(13,21(33)34)22(35)36)4-10(14,23(37)38)24(39)40/h1-6H2"	C(C([N+](=O)[O-])([N+](=O)[O-])F)N(CC([N+](=O)[O-])([N+](=O)[O-])F)COCN(CC([N+](=O)[O-])([N+](=O)[O-])F)CC([N+](=O)[O-])([N+](=O)[O-])F	QGDGMWWETZZZOC-UHFFFAOYSA-N
DG57030	"1-Propanamine, 3-fluoro-N-(2-fluoro-2,2-dinitroethyl)-3,3-dinitro-"	388363	"NSC683258; 1-Propanamine, 3-fluoro-N-(2-fluoro-2,2-dinitroethyl)-3,3-dinitro-; 116120-99-1; CHEMBL1987607; DTXSID20327761; NSC-683258; NCI60_029808; 3-fluoro-N-(2-fluoro-2,2-dinitro-ethyl)-3,3-dinitro-propan-1-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683258	.	.	.	.	303.14	C5H7F2N5O8	195	393	0.5	20	1	11	5	"InChI=1S/C5H7F2N5O8/c6-4(9(13)14,10(15)16)1-2-8-3-5(7,11(17)18)12(19)20/h8H,1-3H2"	C(CNCC([N+](=O)[O-])([N+](=O)[O-])F)C([N+](=O)[O-])([N+](=O)[O-])F	LYCRWTLFFAUEDK-UHFFFAOYSA-N
DG57031	"(2-Fluoro-2,2-dinitro-ethyl) (3-fluoro-3,3-dinitro-propyl) carbonate"	388364	"NSC683259; CHEMBL1972691; NSC-683259; NCI60_029809; (2-fluoro-2,2-dinitro-ethyl) (3-fluoro-3,3-dinitro-propyl) carbonate; 2-Fluoro-2,2-bis(hydroxy(oxido)amino)ethyl 3-fluoro-3,3-bis(hydroxy(oxido)amino)propyl carbonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683259	.	.	.	.	348.13	C6H6F2N4O11	219	489	1.2	23	0	13	7	"InChI=1S/C6H6F2N4O11/c7-5(9(14)15,10(16)17)1-2-22-4(13)23-3-6(8,11(18)19)12(20)21/h1-3H2"	C(COC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F)C([N+](=O)[O-])([N+](=O)[O-])F	ZPHHHIDBVROPBD-UHFFFAOYSA-N
DG57032	"3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol"	388365	"NSC683260; 3-(2-fluoro-2,2-dinitro-ethoxy)propane-1,2-diol; 3-(2-fluoro-2,2-dinitro-ethoxy)-propane-1,2-diol; CHEMBL1989902; NSC-683260; 40696-32-0; NCI60_029810; 3-(2-Fluoro-2,2-bis(hydroxy(oxido)amino)ethoxy)-1,2-propanediol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683260	.	.	.	.	228.13	C5H9FN2O7	141	223	-1.1	15	2	8	5	"InChI=1S/C5H9FN2O7/c6-5(7(11)12,8(13)14)3-15-2-4(10)1-9/h4,9-10H,1-3H2"	C(C(COCC([N+](=O)[O-])([N+](=O)[O-])F)O)O	YPTBUFOESBNEOF-UHFFFAOYSA-N
DG57033	"6-Phenyl-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol"	388416	"NSC683324; CHEMBL1998568; 6-Phenyl-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol; NSC-683324; NCI60_029848; 6-phenyl-5H-thiazolo[3,2-b][1,2,4]triazol-6-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683324	.	.	.	.	219.27	C10H9N3OS	76.2	247	1.5	15	1	4	1	"InChI=1S/C10H9N3OS/c14-10(8-4-2-1-3-5-8)6-15-9-11-7-12-13(9)10/h1-5,7,14H,6H2"	C1C(N2C(=NC=N2)S1)(C3=CC=CC=C3)O	OGKUWBNMTGOHER-UHFFFAOYSA-N
DG57034	"Spiro[2a,3-b]oxirene-2-(1aH),2'-naphtho[1,8-de][1,3]dioxin]-3,8(9H,9aH)-dione, 9-hydroxy-, stereoisomer"	388424	"NSC683332; CHEMBL1971411; ZINC5822887; NSC-683332; NCI60_029856; Spiro[2a,3-b]oxirene- 2-(1aH),2'-naphtho[1,8-de][1,3]dioxin]-3,8(9H,9aH)-dione, 9-hydroxy-, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683332	.	.	.	.	414.4	C24H14O7	97.9	867	2.2	31	1	7	0	"InChI=1S/C24H14O7/c25-18-12-7-1-2-8-13(12)19(26)23-22(18,31-23)20(27)17-21(28-17)24(23)29-14-9-3-5-11-6-4-10-15(30-24)16(11)14/h1-10,17,20-21,27H/t17-,20+,21-,22+,23+/m1/s1"	C1=CC=C2C(=C1)C(=O)[C@]34[C@H]([C@@H]5[C@@H](O5)C6([C@@]3(C2=O)O4)OC7=CC=CC8=C7C(=CC=C8)O6)O	DPEPLNNDWXFYPW-IDINPZAYSA-N
DG57035	"8-Chloro-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carbonitrile"	388426	"NSC683334; CHEMBL1988843; NSC-683334; NCI60_029858; 3-Cyano-8-chloropyrazolo[5,1-c][1,2,4] benzotriazine 5-oxide; Pyrazolo[5,2,4]benzotriazine-3-carbonitrile, 8-chloro-, 5-oxide; 8-chloro-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683334	.	.	.	.	245.62	C10H4ClN5O	79.4	358	0.7	17	0	4	0	"InChI=1S/C10H4ClN5O/c11-7-1-2-8-9(3-7)15-10(14-16(8)17)6(4-12)5-13-15/h1-3,5H"	C1=CC2=C(C=C1Cl)N3C(=C(C=N3)C#N)N=[N+]2[O-]	AQUXOTGLIDBSPY-UHFFFAOYSA-N
DG57036	NSC683339	388430	"Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-7-methyl-3-phenyl-1-(4-(4-phenyl-1-piperazinyl)butyl)-, ethyl ester; NSC683339; 160031-36-7; Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-7-methyl-3-phenyl-1-(4-(4-phenyl-1-piperazinyl)butyl)-, ethyl ester; CHEMBL2002707; DTXSID30166789; ZINC5580449; NSC-683339; ethyl 7-methyl-2,4-dioxo-3-phenyl-1-[4-(4-phenylpiperazin-1-yl)butyl]pyrido[2,3-d]pyrimidine-5-carboxylate; NCI60_029863; Ethyl 7-methyl-2,4-dioxo-3-phenyl-1-(4-(4-phenylpiperazin-1-yl)butyl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate; Pyrido[2,3-d]pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-7-methyl-2,4-dioxo-3-phenyl-1-[4-(4-phenyl-1-piperazinyl)butyl]-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683339	.	.	.	.	541.6	C31H35N5O4	86.3	866	4.6	40	0	7	10	"InChI=1S/C31H35N5O4/c1-3-40-30(38)26-22-23(2)32-28-27(26)29(37)36(25-14-8-5-9-15-25)31(39)35(28)17-11-10-16-33-18-20-34(21-19-33)24-12-6-4-7-13-24/h4-9,12-15,22H,3,10-11,16-21H2,1-2H3"	CCOC(=O)C1=C2C(=NC(=C1)C)N(C(=O)N(C2=O)C3=CC=CC=C3)CCCCN4CCN(CC4)C5=CC=CC=C5	CEIALHUCRRVMCS-UHFFFAOYSA-N
DG57037	"2,4-Bis(3,4-dimethoxyphenyl)-1,3,5-triazine"	388432	"NSC683341; 2,4-Bis(3,4-dimethoxyphenyl)-1,3,5-triazine; CHEMBL1964313; NSC-683341; NCI60_029865; 2,4-Bis(3,4-dimethoxyphenyl)-[1,3,5]triazine; 2,4-bis-( 3,4-dimethoxyphenyl)-1,3,5-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683341	.	.	.	.	353.4	C19H19N3O4	75.6	392	3.2	26	0	7	6	"InChI=1S/C19H19N3O4/c1-23-14-7-5-12(9-16(14)25-3)18-20-11-21-19(22-18)13-6-8-15(24-2)17(10-13)26-4/h5-11H,1-4H3"	COC1=C(C=C(C=C1)C2=NC(=NC=N2)C3=CC(=C(C=C3)OC)OC)OC	ZTMWQBSJCZHMJR-UHFFFAOYSA-N
DG57038	"9-Hydroxy-6,8-dimethoxy-3,3-dimethyl-2,4-dihydroanthracen-1-one"	388439	"NSC683365; CHEMBL1964608; SCHEMBL16227018; 9-hydroxy-6,8-dimethoxy-3,3-dimethyl-2,4-dihydroanthracen-1-one; NSC-683365; NCI60_029868; 9-Hydroxy-6,8-dimethoxy-3,3-dimethyl-3,4-dihydro-1(2H)-anthracenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683365	.	.	.	.	300.3	C18H20O4	55.8	433	4.2	22	1	4	2	"InChI=1S/C18H20O4/c1-18(2)8-11-5-10-6-12(21-3)7-14(22-4)16(10)17(20)15(11)13(19)9-18/h5-7,20H,8-9H2,1-4H3"	CC1(CC2=CC3=CC(=CC(=C3C(=C2C(=O)C1)O)OC)OC)C	XNTADAJQVRPSJC-UHFFFAOYSA-N
DG57039	1-Benzoyl-3-nitroso-3-methylguanidine	388447	NSC683374; CHEMBL1980593; 1-Benzoyl-3-nitroso-3-methylguanidine; NSC-683374; NCI60_029875; N-(N-methyl-N-nitroso-carbamimidoyl)benzamide; N-(Imino(1-methyl-2-oxohydrazino)methyl)benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683374	.	.	.	.	206.2	C9H10N4O2	88.1	271	1.1	15	1	3	2	"InChI=1S/C9H10N4O2/c1-13(12-15)9(10)11-8(14)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11,14)"	CN(C(=NC(=O)C1=CC=CC=C1)N)N=O	YHSOTDXSERVWSU-UHFFFAOYSA-N
DG57040	"4-methyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one"	388454	"NSC683384; CHEMBL1983123; NSC-683384; NCI60_029882; 4-methyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one; 4-methyl-1,2,3,4-tretrahydropyrimido[1,2-a]benzimidazol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683384	.	.	.	.	201.22	C11H11N3O	46.9	281	1	15	1	2	0	"InChI=1S/C11H11N3O/c1-7-6-10(15)13-11-12-8-4-2-3-5-9(8)14(7)11/h2-5,7H,6H2,1H3,(H,12,13,15)"	CC1CC(=O)NC2=NC3=CC=CC=C3N12	QPBWYPOUJOITPL-UHFFFAOYSA-N
DG57041	"2,4,4-trimethyl-3H-pyrimido[1,2-a]benzimidazole"	388459	"NSC683389; 2,4,4-trimethyl-3H-pyrimido[1,2-a]benzimidazole; Oprea1_092051; CHEMBL1981178; NSC-683389; NCI60_029887; 1,1,3-trimethyl-1,2-dihydropyrimido[1,2-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683389	.	.	.	.	213.28	C13H15N3	30.2	321	1.8	16	0	2	0	"InChI=1S/C13H15N3/c1-9-8-13(2,3)16-11-7-5-4-6-10(11)15-12(16)14-9/h4-7H,8H2,1-3H3"	CC1=NC2=NC3=CC=CC=C3N2C(C1)(C)C	KBQJJTHWGPYOTC-UHFFFAOYSA-N
DG57042	[2-(isopropylcarbamoyloxymethyl)-1-methyl-benzo[g]indol-3-yl]methyl N-isopropylcarbamate	388462	"NSC683398; CHEMBL1996610; NSC-683398; NCI60_029890; 1H-Benz[g]indole-2, (1-methylethyl)carbamate (diester); [2-(isopropylcarbamoyloxymethyl)-1-methyl-benzo[g]indol-3-yl]methyl N-isopropylcarbamate; Bis(N-isopropylcarbamic acid)[1-methyl-1H-benzo[g]indole-2,3-diylbis(methylene)] ester; (2-((((Isopropylamino)carbonyl)oxy)methyl)-1-methyl-1H-benzo[g]indol-3-yl)methyl isopropylcarbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683398	.	.	.	.	411.5	C23H29N3O4	81.6	597	3.9	30	2	4	8	"InChI=1S/C23H29N3O4/c1-14(2)24-22(27)29-12-19-18-11-10-16-8-6-7-9-17(16)21(18)26(5)20(19)13-30-23(28)25-15(3)4/h6-11,14-15H,12-13H2,1-5H3,(H,24,27)(H,25,28)"	CC(C)NC(=O)OCC1=C(N(C2=C1C=CC3=CC=CC=C32)C)COC(=O)NC(C)C	LUGOGMLPVSFYFG-UHFFFAOYSA-N
DG57043	"[7,8-dichloro-2-(isopropylcarbamoyloxymethyl)-1-methyl-benzo[g]indol-3-yl]methyl N-isopropylcarbamate"	388463	"NSC683399; CHEMBL1971870; NSC-683399; NCI60_029891; (7,8-Dichloro-2-((((isopropylamino)carbonyl)oxy)methyl)-1-methyl-1H-benzo[g]indol-3-yl)methyl isopropylcarbamate; [7,8-dichloro-2-(isopropylcarbamoyloxymethyl)-1-methyl-benzo[g]indol-3-yl]methyl N-isopropylcarbamate; Bis(N-isopropylcarbamic acid)[7,8-dichloro-1-methyl-1H-benzo[g]indole-2,3-diylbis(methylene)] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683399	.	.	.	.	480.4	C23H27Cl2N3O4	81.6	665	5.2	32	2	4	8	"InChI=1S/C23H27Cl2N3O4/c1-12(2)26-22(29)31-10-17-15-7-6-14-8-18(24)19(25)9-16(14)21(15)28(5)20(17)11-32-23(30)27-13(3)4/h6-9,12-13H,10-11H2,1-5H3,(H,26,29)(H,27,30)"	CC(C)NC(=O)OCC1=C(N(C2=C1C=CC3=CC(=C(C=C32)Cl)Cl)C)COC(=O)NC(C)C	BUNVZMNEQBXYOM-UHFFFAOYSA-N
DG57044	[2-(isopropylcarbamoyloxymethyl)-7-methoxy-1-methyl-benzo[g]indol-3-yl]methyl N-isopropylcarbamate	388466	"NSC683402; CHEMBL1984883; ZINC1649423; NSC-683402; NCI60_029893; (2-((((Isopropylamino)carbonyl)oxy)methyl)-7-methoxy-1-methyl-1H-benzo[g]indol-3-yl)methyl isopropylcarbamate; [2-(isopropylcarbamoyloxymethyl)-7-methoxy-1-methyl-benzo[g]indol-3-yl]methyl N-isopropylcarbamate; Bis(N-isopropylcarbamic acid)[1-methyl-7-methoxy-1H-benzo[g]indole-2,3-diylbis(methylene)] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683402	.	.	.	.	441.5	C24H31N3O5	90.8	643	3.9	32	2	5	9	"InChI=1S/C24H31N3O5/c1-14(2)25-23(28)31-12-20-19-9-7-16-11-17(30-6)8-10-18(16)22(19)27(5)21(20)13-32-24(29)26-15(3)4/h7-11,14-15H,12-13H2,1-6H3,(H,25,28)(H,26,29)"	CC(C)NC(=O)OCC1=C(N(C2=C1C=CC3=C2C=CC(=C3)OC)C)COC(=O)NC(C)C	WDOHZUOMXMDRRW-UHFFFAOYSA-N
DG57045	[2-(cyclohexylcarbamoyloxymethyl)-1-methyl-benzo[g]indol-3-yl]methyl N-cyclohexylcarbamate	388467	"NSC683403; CHEMBL2002172; NSC-683403; NCI60_029894; [2-(cyclohexylcarbamoyloxymethyl)-1-methyl-benzo[g]indol-3-yl]methyl N-cyclohexylcarbamate; Bis(N-cyclohexylcarbamic acid)[1-methyl-1H-benzo[g]indole-2,3-diylbis(methylene)] ester; (2-((((Cyclohexylamino)carbonyl)oxy)methyl)-1-methyl-1H-benzo[g]indol-3-yl)methyl cyclohexylcarbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683403	.	.	.	.	491.6	C29H37N3O4	81.6	736	5.9	36	2	4	8	"InChI=1S/C29H37N3O4/c1-32-26(19-36-29(34)31-22-13-6-3-7-14-22)25(18-35-28(33)30-21-11-4-2-5-12-21)24-17-16-20-10-8-9-15-23(20)27(24)32/h8-10,15-17,21-22H,2-7,11-14,18-19H2,1H3,(H,30,33)(H,31,34)"	CN1C(=C(C2=C1C3=CC=CC=C3C=C2)COC(=O)NC4CCCCC4)COC(=O)NC5CCCCC5	RAMABIKSYWPHEY-UHFFFAOYSA-N
DG57046	"[7,8-dichloro-2-(cyclohexylcarbamoyloxymethyl)-1-methyl-benzo[g]indol-3-yl]methyl N-cyclohexylcarbamate"	388468	"NSC683404; CHEMBL1979996; NSC-683404; NCI60_029895; (7,8-Dichloro-2-((((cyclohexylamino)carbonyl)oxy)methyl)-1-methyl-1H-benzo[g]indol-3-yl)methyl cyclohexylcarbamate; [7,8-dichloro-2-(cyclohexylcarbamoyloxymethyl)-1-methyl-benzo[g]indol-3-yl]methyl N-cyclohexylcarbamate; Bis(N-cyclohexylcarbamic acid)[7,8-dichloro-1-methyl-1H-benzo[g]indole-2,3-diylbis(methylene)] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683404	.	.	.	.	560.5	C29H35Cl2N3O4	81.6	807	7.2	38	2	4	8	"InChI=1S/C29H35Cl2N3O4/c1-34-26(17-38-29(36)33-20-10-6-3-7-11-20)23(16-37-28(35)32-19-8-4-2-5-9-19)21-13-12-18-14-24(30)25(31)15-22(18)27(21)34/h12-15,19-20H,2-11,16-17H2,1H3,(H,32,35)(H,33,36)"	CN1C(=C(C2=C1C3=CC(=C(C=C3C=C2)Cl)Cl)COC(=O)NC4CCCCC4)COC(=O)NC5CCCCC5	WGGOGXHAFCCSHN-UHFFFAOYSA-N
DG57047	"[7,8-dichloro-1-methyl-2-(phenylcarbamoyloxymethyl)benzo[g]indol-3-yl]methyl N-phenylcarbamate"	388469	"NSC683405; CHEMBL1975239; NSC-683405; [7,8-dichloro-1-methyl-2-(phenylcarbamoyloxymethyl)benzo[g]indol-3-yl]methyl N-phenylcarbamate; NCI60_029896; (2-(((Anilinocarbonyl)oxy)methyl)-7,8-dichloro-1-methyl-1H-benzo[g]indol-3-yl)methyl phenylcarbamate; Bis(N-phenylcarbamic acid)[7,8-dichloro-1-methyl-1H-benzo[g]indole-2,3-diylbis(methylene)] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683405	.	.	.	.	548.4	C29H23Cl2N3O4	81.6	807	6.7	38	2	4	8	"InChI=1S/C29H23Cl2N3O4/c1-34-26(17-38-29(36)33-20-10-6-3-7-11-20)23(16-37-28(35)32-19-8-4-2-5-9-19)21-13-12-18-14-24(30)25(31)15-22(18)27(21)34/h2-15H,16-17H2,1H3,(H,32,35)(H,33,36)"	CN1C(=C(C2=C1C3=CC(=C(C=C3C=C2)Cl)Cl)COC(=O)NC4=CC=CC=C4)COC(=O)NC5=CC=CC=C5	WYASXQFMSAOOSS-UHFFFAOYSA-N
DG57048	NSC683410	388470	"[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 9-oxo-10H-acridine-4-carboxylate; NSC683410; CHEMBL1993307; NSC-683410; NCI60_029897"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683410	.	.	.	.	607.9	C41H53NO3	55.4	1140	11.8	45	1	4	8	"InChI=1S/C41H53NO3/c1-25(2)10-8-11-26(3)33-18-19-34-29-17-16-27-24-28(20-22-40(27,4)35(29)21-23-41(33,34)5)45-39(44)32-14-9-13-31-37(32)42-36-15-7-6-12-30(36)38(31)43/h6-7,9,12-16,25-26,28-29,33-35H,8,10-11,17-24H2,1-5H3,(H,42,43)/t26-,28+,29+,33-,34+,35+,40+,41-/m1/s1"	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)C)C	RTQXQLKHWVEXNQ-WCNVUWMOSA-N
DG57049	4-Cyclopropyl-1-methyl-1-oxido-piperidin-1-ium-4-ol	388485	"NSC683440; 4-cyclopropyl-1-methyl-1-oxido-piperidin-1-ium-4-ol; CHEMBL1977635; NSC-683440; NCI60_029913; 4-Cyclopropyl-1-methyl-1.lambda.~5~-piperidine-1,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683440	.	.	.	.	171.24	C9H17NO2	38.3	181	0.1	12	1	2	1	"InChI=1S/C9H17NO2/c1-10(12)6-4-9(11,5-7-10)8-2-3-8/h8,11H,2-7H2,1H3"	C[N+]1(CCC(CC1)(C2CC2)O)[O-]	GZWQDZXTVKOLCT-UHFFFAOYSA-N
DG57050	"4-[6-(2-Fluorophenyl)-1,3-dioxolo[4,5-g]quinoline-8-yloxy]butyric acid"	388495	"CHEMBL129585; NSC683478; BDBM50106308; NSC-683478; NCI60_029919; 4-[6-(2-Fluorophenyl)-1,3-dioxolo[4,5-g]quinoline-8-yloxy]butyric acid; 4-[6-(2-Fluoro-phenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yloxy]-butyric acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683478	.	.	.	.	369.3	C20H16FNO5	77.9	521	3.6	27	1	7	6	"InChI=1S/C20H16FNO5/c21-14-5-2-1-4-12(14)15-9-17(25-7-3-6-20(23)24)13-8-18-19(27-11-26-18)10-16(13)22-15/h1-2,4-5,8-10H,3,6-7,11H2,(H,23,24)"	C1OC2=C(O1)C=C3C(=C2)C(=CC(=N3)C4=CC=CC=C4F)OCCCC(=O)O	NTFGUMGSLPDPCZ-UHFFFAOYSA-N
DG57051	"4-[6-(2-Fluorophenyl)-1,3-dioxolo[4,5-g]quinoline-8-yloxy]butyric acid ethyl ester"	388496	"CHEMBL125851; NSC683479; BDBM50106303; NSC-683479; NCI60_029920; 4-[6-(2-Fluoro-phenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yloxy]-butyric acid ethyl ester; 4-[6-(2-Fluorophenyl)-1,3-dioxolo[4,5-g]quinoline-8-yloxy]butyric acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683479	.	.	.	.	397.4	C22H20FNO5	66.9	549	4.3	29	0	7	8	"InChI=1S/C22H20FNO5/c1-2-26-22(25)8-5-9-27-19-11-17(14-6-3-4-7-16(14)23)24-18-12-21-20(10-15(18)19)28-13-29-21/h3-4,6-7,10-12H,2,5,8-9,13H2,1H3"	CCOC(=O)CCCOC1=CC(=NC2=CC3=C(C=C21)OCO3)C4=CC=CC=C4F	SXJPAUFFSLFCNK-UHFFFAOYSA-N
DG57052	"7-Chloro-13,13a-dihydro-9H-[1,3]thiazolo[4,3-c][1,2,4]triazolo[4,3-a][1,4]benzodiazepin-9-one"	388513	"NSC683497; CHEMBL2002556; NSC-683497; 7-Chloro-13,13a-dihydro-9H-[1,3]thiazolo[4,3-c][1,2,4]triazolo[4,3-a][1,4]benzodiazepin-9-one; NCI60_029936"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683497	.	.	.	.	292.74	C12H9ClN4OS	76.3	398	1.3	19	0	4	0	"InChI=1S/C12H9ClN4OS/c13-7-1-2-9-8(3-7)12(18)17-6-19-4-10(17)11-15-14-5-16(9)11/h1-3,5,10H,4,6H2"	C1C2C3=NN=CN3C4=C(C=C(C=C4)Cl)C(=O)N2CS1	LKTXMUHEQSSFEG-UHFFFAOYSA-N
DG57053	"3-Phenylthieno[2,3-b]pyrrolizin-8-one"	388523	"NSC683507; NSC-683507; 3-phenylthieno[2,3-b]pyrrolizin-8-one; CHEMBL33763; DTXSID80327762; 156274-15-6; NCI60_029946; 3-Phenyl-8H-thieno[2,3-b]pyrrolizin-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683507	.	.	.	.	251.3	C15H9NOS	50.2	352	3.8	18	0	2	1	InChI=1S/C15H9NOS/c17-14-12-7-4-8-16(12)13-11(9-18-15(13)14)10-5-2-1-3-6-10/h1-9H	C1=CC=C(C=C1)C2=CSC3=C2N4C=CC=C4C3=O	YYQSSUSYLXBUIE-UHFFFAOYSA-N
DG57054	"3-(4-Fluorophenyl)thieno[2,3-b]pyrrolizin-8-one"	388524	"NSC683508; NSC-683508; 3-(4-fluorophenyl)thieno[2,3-b]pyrrolizin-8-one; CHEMBL34581; 3-(4-Fluorophenyl)-8H-thieno[2,3-b]pyrrolizin-8-one; NCI60_029947"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683508	.	.	.	.	269.29	C15H8FNOS	50.2	382	3.9	19	0	3	1	InChI=1S/C15H8FNOS/c16-10-5-3-9(4-6-10)11-8-19-15-13(11)17-7-1-2-12(17)14(15)18/h1-8H	C1=CN2C(=C1)C(=O)C3=C2C(=CS3)C4=CC=C(C=C4)F	KYYNSIZYORCZFZ-UHFFFAOYSA-N
DG57055	"3-(4-Chlorophenyl)thieno[2,3-b]pyrrolizin-8-one"	388525	"NSC683509; NSC-683509; 3-(4-chlorophenyl)thieno[2,3-b]pyrrolizin-8-one; CHEMBL290333; 3-(4-Chlorophenyl)-8H-thieno[2,3-b]pyrrolizin-8-one; NCI60_029948"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683509	.	.	.	.	285.7	C15H8ClNOS	50.2	382	4.4	19	0	2	1	InChI=1S/C15H8ClNOS/c16-10-5-3-9(4-6-10)11-8-19-15-13(11)17-7-1-2-12(17)14(15)18/h1-8H	C1=CN2C(=C1)C(=O)C3=C2C(=CS3)C4=CC=C(C=C4)Cl	MPKUTAGHBXQZRX-UHFFFAOYSA-N
DG57056	"2-(4-Fluorophenyl)thieno[2,3-b]pyrrolizin-8-one"	388526	"NSC683510; 2-(4-fluorophenyl)thieno[2,3-b]pyrrolizin-8-one; 2-(4-Fluorophenyl)-8H-thieno[2,3-b]pyrrolizin-8-one; CHEMBL1982282; NSC-683510; NCI60_029949"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683510	.	.	.	.	269.29	C15H8FNOS	50.2	382	3.9	19	0	3	1	InChI=1S/C15H8FNOS/c16-10-5-3-9(4-6-10)13-8-12-15(19-13)14(18)11-2-1-7-17(11)12/h1-8H	C1=CN2C(=C1)C(=O)C3=C2C=C(S3)C4=CC=C(C=C4)F	OXDCADFCXJCFJG-UHFFFAOYSA-N
DG57057	"8H-Thieno[2,3-b]pyrrolizinium, 3-(4-bromophenyl)-4-methyl-8-(1-pyrrolidinyl)-, iodide"	388536	"NSC683517; CHEMBL1969907; NSC-683517; 8H-Thieno[2, 3-(4-bromophenyl)-4-methyl- 8-(1-pyrrolidinyl)-, iodide; 3-(4-bromophenyl)-4-methyl-8-pyrrolidin-1-yl-8H-thieno[2,3-b]pyrrolizin-4-ium hydroiodide; 8H-Thieno[2,3-b]pyrrolizinium, 3-(4-bromophenyl)-4-methyl-8-(1-pyrrolidinyl)-, iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683517	.	.	.	.	527.3	C20H20BrIN2S	31.5	562	.	25	0	3	2	"InChI=1S/C20H20BrN2S.HI/c1-23-12-4-5-17(23)18(22-10-2-3-11-22)20-19(23)16(13-24-20)14-6-8-15(21)9-7-14;/h4-9,12-13,18H,2-3,10-11H2,1H3;1H/q+1;/p-1"	C[N+]12C=CC=C1C(C3=C2C(=CS3)C4=CC=C(C=C4)Br)N5CCCC5.[I-]	HXBFZJGPBNRVAE-UHFFFAOYSA-M
DG57058	NSC683555	388554	"(19S)-10-[[4-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]iminomethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione; NSC683555; CHEMBL1995455; NSC-683555; NCI60_029960; NCI60_029961; W-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683555	.	.	.	.	848.8	C48H40N4O11	188	1890	4.6	63	3	14	8	"InChI=1S/C48H40N4O11/c1-4-48(57)33-17-35-43-30(19-52(35)45(54)31(33)20-61-47(48)56)29(26-7-5-6-8-34(26)51-43)18-49-24-9-11-25(12-10-24)50-42-28-16-37-36(62-22-63-37)15-27(28)40(41-32(42)21-60-46(41)55)23-13-38(58-2)44(53)39(14-23)59-3/h5-18,32,40-42,50,53,57H,4,19-22H2,1-3H3/t32-,40+,41-,42+,48-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NC6=CC=C(C=C6)N[C@H]7[C@H]8COC(=O)[C@@H]8[C@@H](C9=CC1=C(C=C79)OCO1)C1=CC(=C(C(=C1)OC)O)OC)O	QPEJOQWVBDJCKB-NNFSRNKVSA-N
DG57059	NSC683556	388555	"(19S)-10-[[4-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]iminomethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione;hydrochloride; NSC683556; CHEMBL2000143; NSC-683556; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline- 3,14(4H,12H)-dione, 4-ethyl- 11-[[[4-[[5,5a,6,8,8a,9-hexahydro-5-(4-hydroxy- 3,5-dimethoxyphenyl)-6-oxofuro[3',4':6,7]naphtho[2,3-d]- 1,3-dioxol-9-yl]amino]phenyl]imino]methyl]-4-hydroxy-, hydrochloride, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683556	.	.	.	.	885.3	C48H41ClN4O11	188	1890	.	64	4	14	8	"InChI=1S/C48H40N4O11.ClH/c1-4-48(57)33-17-35-43-30(19-52(35)45(54)31(33)20-61-47(48)56)29(26-7-5-6-8-34(26)51-43)18-49-24-9-11-25(12-10-24)50-42-28-16-37-36(62-22-63-37)15-27(28)40(41-32(42)21-60-46(41)55)23-13-38(58-2)44(53)39(14-23)59-3;/h5-18,32,40-42,50,53,57H,4,19-22H2,1-3H3;1H/t32-,40+,41-,42+,48-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NC6=CC=C(C=C6)N[C@H]7[C@H]8COC(=O)[C@@H]8[C@@H](C9=CC1=C(C=C79)OCO1)C1=CC(=C(C(=C1)OC)O)OC)O.Cl	HGDZRHFBGBJBPK-NLSYGQMZSA-N
DG57060	NSC683557	388556	"(19S)-10-[[2-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]iminomethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione; NSC683557; CHEMBL506688; CHEMBL2159224; NSC-683557; NCI60_029962; NCI60_029963"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683557	.	.	.	.	848.8	C48H40N4O11	188	1900	4.6	63	3	14	8	"InChI=1S/C48H40N4O11/c1-4-48(57)31-17-35-43-28(19-52(35)45(54)29(31)20-61-47(48)56)27(24-9-5-6-10-32(24)50-43)18-49-33-11-7-8-12-34(33)51-42-26-16-37-36(62-22-63-37)15-25(26)40(41-30(42)21-60-46(41)55)23-13-38(58-2)44(53)39(14-23)59-3/h5-18,30,40-42,51,53,57H,4,19-22H2,1-3H3/t30-,40+,41-,42+,48-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NC6=CC=CC=C6N[C@H]7[C@H]8COC(=O)[C@@H]8[C@@H](C9=CC1=C(C=C79)OCO1)C1=CC(=C(C(=C1)OC)O)OC)O	MUPKVSTUEPDRJK-UINMZKSFSA-N
DG57061	NSC683558	388557	"(19S)-10-[[2-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]iminomethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione;hydrochloride; NSC683558; NSC-683558; CHEMBL1984939; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline- 3,14(4H,12H)-dione, 4-ethyl- 11-[[[2-[[5,5a,6,8,8a,9-hexahydro-5-(4-hydroxy- 3,5-dimethoxyphenyl)-6-oxofuro[3',4':6,7]naphtho[2,3-d]- 1,3-dioxol-9-yl]amino]phenyl]imino]methyl]-4-hydroxy-, hydrochloride, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683558	.	.	.	.	885.3	C48H41ClN4O11	188	1900	.	64	4	14	8	"InChI=1S/C48H40N4O11.ClH/c1-4-48(57)31-17-35-43-28(19-52(35)45(54)29(31)20-61-47(48)56)27(24-9-5-6-10-32(24)50-43)18-49-33-11-7-8-12-34(33)51-42-26-16-37-36(62-22-63-37)15-25(26)40(41-30(42)21-60-46(41)55)23-13-38(58-2)44(53)39(14-23)59-3;/h5-18,30,40-42,51,53,57H,4,19-22H2,1-3H3;1H/t30-,40+,41-,42+,48-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NC6=CC=CC=C6N[C@H]7[C@H]8COC(=O)[C@@H]8[C@@H](C9=CC1=C(C=C79)OCO1)C1=CC(=C(C(=C1)OC)O)OC)O.Cl	IGQDFHASVXHFOP-ULLBRXORSA-N
DG57062	NSC683582	388571	"(5R,8aR,9R)-5-[[2-(furan-2-yl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one; CHEMBL1976238; NSC683582; NSC-683582; NCI60_029973"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683582	.	.	.	.	654.6	C33H34O14	163	1100	1	47	2	14	7	"InChI=1S/C33H34O14/c1-37-21-7-14(8-22(38-2)29(21)39-3)24-15-9-19-20(44-13-43-19)10-16(15)28(17-11-41-31(36)25(17)24)46-33-27(35)26(34)30-23(45-33)12-42-32(47-30)18-5-4-6-40-18/h4-10,17,23-28,30,32-35H,11-13H2,1-3H3/t17 ,23 ,24-,25+,26 ,27 ,28+,30 ,32 ,33 /m1/s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3C(COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CO8)O)O	AQRJBWFVLCAKFF-CLIFMDCGSA-N
DG57063	NSC683583	388572	"(5R,8aR,9R)-5-[(7,8-dihydroxy-2-propan-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one; NSC683583; CHEMBL2002123; NSC-683583; NCI60_029974"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683583	.	.	.	.	630.6	C32H38O13	150	1030	1.9	45	2	13	7	"InChI=1S/C32H38O13/c1-13(2)31-40-11-22-29(45-31)25(33)26(34)32(43-22)44-27-16-9-19-18(41-12-42-19)8-15(16)23(24-17(27)10-39-30(24)35)14-6-20(36-3)28(38-5)21(7-14)37-4/h6-9,13,17,22-27,29,31-34H,10-12H2,1-5H3/t17 ,22 ,23-,24+,25 ,26 ,27+,29 ,31 ,32 /m1/s1"	CC(C)C1OCC2C(O1)C(C(C(O2)O[C@@H]3C4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OC)OC)O)O	MZXAMKYTGFSPHR-WPWKEMPVSA-N
DG57064	NSC683584	388573	"(5R,8aR,9R)-5-[(7,8-dihydroxy-2-propan-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one; NSC683584; CHEMBL1971169; NSC-683584; NCI60_029975"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683584	.	.	.	.	616.6	C31H36O13	161	1010	1.6	44	3	13	6	"InChI=1S/C31H36O13/c1-12(2)30-39-10-21-28(44-30)25(33)26(34)31(42-21)43-27-15-8-18-17(40-11-41-18)7-14(15)22(23-16(27)9-38-29(23)35)13-5-19(36-3)24(32)20(6-13)37-4/h5-8,12,16,21-23,25-28,30-34H,9-11H2,1-4H3/t16 ,21 ,22-,23+,25 ,26 ,27+,28 ,30 ,31 /m1/s1"	CC(C)C1OCC2C(O1)C(C(C(O2)O[C@@H]3C4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	SRLJFQNAJBXCHO-FLZICNFKSA-N
DG57065	3-[methyl-[(E)-(4-nitrophenyl)azo]amino]-1-phenyl-butan-2-ol	388606	NSC683614; CHEMBL1973210; NSC-683614; NCI60_030004; 3-[methyl-[(E)-(4-nitrophenyl)azo]amino]-1-phenyl-butan-2-ol; 3-(3-(4-(Hydroxy(oxido)amino)phenyl)-1-methyl-2-triazenyl)-1-phenyl-2-butanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683614	.	.	.	.	328.4	C17H20N4O3	94	413	4.2	24	1	6	6	"InChI=1S/C17H20N4O3/c1-13(17(22)12-14-6-4-3-5-7-14)20(2)19-18-15-8-10-16(11-9-15)21(23)24/h3-11,13,17,22H,12H2,1-2H3"	CC(C(CC1=CC=CC=C1)O)N(C)N=NC2=CC=C(C=C2)[N+](=O)[O-]	GTBBQYABAALZEK-UHFFFAOYSA-N
DG57066	3-(4-Chlorophenyl)-4-(4-fluorophenyl)-6-phenyl-2-pyridinamine	388616	NSC683627; CHEMBL1995943; NSC-683627; NCI60_030012; 3-(4-Chlorophenyl)-4-(4-fluorophenyl)-6-phenyl-2-pyridinamine; 3-(4-Chlorophenyl)-4-(4-fluorophenyl)-6-phenyl-2-pyridinylamine; 3-(4-chlorophenyl)-4-(4-fluorophenyl)-6-phenyl-pyridin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683627	.	.	.	.	374.8	C23H16ClFN2	38.9	453	6.1	27	1	3	3	"InChI=1S/C23H16ClFN2/c24-18-10-6-17(7-11-18)22-20(15-8-12-19(25)13-9-15)14-21(27-23(22)26)16-4-2-1-3-5-16/h1-14H,(H2,26,27)"	C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl)N	BLVFWOZMTGSELI-UHFFFAOYSA-N
DG57067	3-(4-Fluorophenyl)-4-(4-methoxyphenyl)-6-(4-pyridyl)pyridin-2-amine	388617	"NSC683628; CHEMBL1981808; NSC-683628; NCI60_030013; [2,4'-Bipyridin]-6-amine, 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-; 3-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-(4-pyridyl)pyridin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683628	.	.	.	.	371.4	C23H18FN3O	61	471	4.4	28	1	5	4	"InChI=1S/C23H18FN3O/c1-28-19-8-4-15(5-9-19)20-14-21(16-10-12-26-13-11-16)27-23(25)22(20)17-2-6-18(24)7-3-17/h2-14H,1H3,(H2,25,27)"	COC1=CC=C(C=C1)C2=CC(=NC(=C2C3=CC=C(C=C3)F)N)C4=CC=NC=C4	GEFHLMWQANYTHR-UHFFFAOYSA-N
DG57068	"4-(5-(4-Chlorophenyl)-4-(3-pyridinyl)-1H-imidazol-2-yl)-1,2-benzenediol"	388626	"NSC683637; CHEMBL1974965; ZINC13218737; NSC-683637; NCI60_030022; 4-(5-(4-Chlorophenyl)-4-(3-pyridinyl)-1H-imidazol-2-yl)-1,2-benzenediol; 4-[5-(4-chlorophenyl)-4-(3-pyridyl)-1H-imidazol-2-yl]benzene-1,2-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683637	.	.	.	.	363.8	C20H14ClN3O2	82	460	3.9	26	3	4	3	"InChI=1S/C20H14ClN3O2/c21-15-6-3-12(4-7-15)18-19(14-2-1-9-22-11-14)24-20(23-18)13-5-8-16(25)17(26)10-13/h1-11,25-26H,(H,23,24)"	C1=CC(=CN=C1)C2=C(NC(=N2)C3=CC(=C(C=C3)O)O)C4=CC=C(C=C4)Cl	XBQFLECFOCZWAR-UHFFFAOYSA-N
DG57069	"2-Phenyl-4,6-bis(4-pyridyl)pyridine"	388627	"NSC683638; CHEMBL1984785; 2-phenyl-4,6-bis(4-pyridyl)pyridine; NSC-683638; NCI60_030023; 4,2':4',4''-Terpyridine, 6'-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683638	.	.	.	.	309.4	C21H15N3	38.7	367	3.7	24	0	3	3	InChI=1S/C21H15N3/c1-2-4-17(5-3-1)20-14-19(16-6-10-22-11-7-16)15-21(24-20)18-8-12-23-13-9-18/h1-15H	C1=CC=C(C=C1)C2=NC(=CC(=C2)C3=CC=NC=C3)C4=CC=NC=C4	FCCCQHYRVKLZHY-UHFFFAOYSA-N
DG57070	4-(4-Methoxyphenyl)-3-(2-naphthyl)-6-phenyl-2-pyridinamine	388629	NSC683640; CHEMBL1975288; NSC-683640; NCI60_030025; 4-(4-Methoxyphenyl)-3-(2-naphthyl)-6-phenyl-2-pyridinamine; 4-(4-Methoxyphenyl)-3-(2-naphthyl)-6-phenyl-2-pyridinylamine; 4-(4-methoxyphenyl)-3-(2-naphthyl)-6-phenyl-pyridin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683640	.	.	.	.	402.5	C28H22N2O	48.1	553	6.6	31	1	3	4	"InChI=1S/C28H22N2O/c1-31-24-15-13-20(14-16-24)25-18-26(21-8-3-2-4-9-21)30-28(29)27(25)23-12-11-19-7-5-6-10-22(19)17-23/h2-18H,1H3,(H2,29,30)"	COC1=CC=C(C=C1)C2=CC(=NC(=C2C3=CC4=CC=CC=C4C=C3)N)C5=CC=CC=C5	HPYOPVSXHVYYEX-UHFFFAOYSA-N
DG57071	2-Amino-3-(4-chlorophenyl)-4-fluoro-1-naphthonitrile	388630	NSC683641; CHEMBL1994169; NSC-683641; NCI60_030026; 2-Amino-3-(4-chlorophenyl)-4-fluoro-1-naphthonitrile; 2-amino-3-(4-chlorophenyl)-4-fluoro-naphthalene-1-carbonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683641	.	.	.	.	296.7	C17H10ClFN2	49.8	412	5.1	21	1	3	1	"InChI=1S/C17H10ClFN2/c18-11-7-5-10(6-8-11)15-16(19)13-4-2-1-3-12(13)14(9-20)17(15)21/h1-8H,21H2"	C1=CC=C2C(=C1)C(=C(C(=C2F)C3=CC=C(C=C3)Cl)N)C#N	CDBULKDEAOUJKR-UHFFFAOYSA-N
DG57072	"6-amino-5-[(4-methoxyphenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione"	388631	"NSC683643; CHEMBL2000613; 6-amino-5-[(4-methoxyphenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione; NSC-683643; NCI60_030027; 6-Amino-5-(4-methoxybenzyl)-3-methyl-2,4(1H,3H)-pyrimidinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683643	.	.	.	.	261.279	C13H15N3O3	84.7	411	0.6	19	2	4	3	"InChI=1S/C13H15N3O3/c1-16-12(17)10(11(14)15-13(16)18)7-8-3-5-9(19-2)6-4-8/h3-6H,7,14H2,1-2H3,(H,15,18)"	CN1C(=O)C(=C(NC1=O)N)CC2=CC=C(C=C2)OC	HBYQWINTEWDENS-UHFFFAOYSA-N
DG57073	"Pyrimidine-2,4(1H,3H)-dione, 6-[(4-chlorophenyl)azo]-"	388636	"NSC683648; MLS000756728; SCHEMBL8154484; CHEMBL1348980; CHEMBL2006570; HMS2853B19; ZINC17970262; ZINC100368447; NSC-683648; NCI60_030032; SMR000529114; 6-((4-Chlorophenyl)diazenyl)-2,4-pyrimidinediol; 6-[(E)-(4-chlorophenyl)azo]pyrimidine-2,4-diol; Pyrimidine-2,3H)-dione, 6-[(4-chlorophenyl)azo]-; Pyrimidine-2,4(1H,3H)-dione, 6-[(4-chlorophenyl)azo]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683648	.	.	.	.	250.64	C10H7ClN4O2	82.9	386	1.6	17	2	4	2	"InChI=1S/C10H7ClN4O2/c11-6-1-3-7(4-2-6)14-15-8-5-9(16)13-10(17)12-8/h1-5H,(H2,12,13,16,17)"	C1=CC(=CC=C1N=NC2=CC(=O)NC(=O)N2)Cl	VTVWKVYGAZNCRN-UHFFFAOYSA-N
DG57074	"N4,N6-dibenzylpyrimidine-2,4,6-triamine"	388644	"NSC683656; CHEMBL1993081; BDBM50551175; NSC-683656; NCI60_030040; N4,N6-dibenzylpyrimidine-2,4,6-triamine; N~4~,N~6~-Dibenzyl-2,4,6-pyrimidinetriamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683656	.	.	.	.	305.4	C18H19N5	75.9	295	3.5	23	3	5	6	"InChI=1S/C18H19N5/c19-18-22-16(20-12-14-7-3-1-4-8-14)11-17(23-18)21-13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H4,19,20,21,22,23)"	C1=CC=C(C=C1)CNC2=CC(=NC(=N2)N)NCC3=CC=CC=C3	QLGPIDFUQBUOEF-UHFFFAOYSA-N
DG57075	NSC683682	388664	"2-[[4-[2-[Dimethyl-[(4-nitrophenyl)methyl]azaniumyl]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium;chloride; NSC683682; NSC-683682"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683682	.	.	.	.	720.2	C36H40ClN6O8+	190	1110	.	51	4	11	12	"InChI=1S/C36H38N6O8.ClH/c1-41(2,21-23-5-9-25(10-6-23)39(47)48)19-17-37-27-13-14-28(32-31(27)35(45)33-29(43)15-16-30(44)34(33)36(32)46)38-18-20-42(3,4)22-24-7-11-26(12-8-24)40(49)50;/h5-16H,17-22H2,1-4H3,(H2-2,37,38,43,44,45,46);1H/p+1"	C[N+](C)(CCNC1=C2C(=C(C=C1)NCC[N+](C)(C)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=C(C=CC(=C4C2=O)O)O)CC5=CC=C(C=C5)[N+](=O)[O-].[Cl-]	SVIKEYKFSGZRGM-UHFFFAOYSA-O
DG57076	2-Ethoxy-6-hydroxyestradiol	388671	"NSC683688; 2-ethoxy-6-hydroxyestradiol; CHEMBL2005233; NSC-683688; NCI60_030053; Estra-1,5(10)-triene-3,6,17.beta.-triol, 2-ethoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683688	.	.	.	.	332.4	C20H28O4	69.9	469	2.9	24	3	4	2	"InChI=1S/C20H28O4/c1-3-24-18-10-12-11-6-7-20(2)15(4-5-19(20)23)13(11)8-16(21)14(12)9-17(18)22/h9-11,13,15-16,19,21-23H,3-8H2,1-2H3/t11-,13-,15+,16 ,19+,20+/m1/s1"	CCOC1=C(C=C2C(C[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4O)C)O)O	ABGGECJHBPJFCE-QUZVSAKKSA-N
DG57077	"Glutamamide,stereoisomer"	388674	"NSC683692; Glutamamide,stereoisomer; CHEMBL2002249; NSC-683692; NCI60_030056; .alpha.-D-Glucopyranoside, phenylmethyl 2-acetylamino-2-deoxy- 3-O-[[2-[[2-[1-(aminocarbonyl)-4-[[5-[(1-nitro- 9-acridinyl)amino]pentyl]amino]-4-oxobutyl]amino]- 1-methyl-2-oxoethyl]amino]-1-methyl-2-oxoethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683692	.	.	.	.	874.9	C43H54N8O12	298	1530	1.9	63	8	14	21	"InChI=1S/C43H54N8O12/c1-24(47-42(58)25(2)62-39-37(48-26(3)53)43(63-33(22-52)38(39)55)61-23-27-12-5-4-6-13-27)41(57)50-31(40(44)56)18-19-34(54)45-20-9-10-21-46-36-28-14-7-8-15-29(28)49-30-16-11-17-32(35(30)36)51(59)60/h4-8,11-17,24-25,31,33,37-39,43,52,55H,9-10,18-23H2,1-3H3,(H2,44,56)(H,45,54)(H,46,49)(H,47,58)(H,48,53)(H,50,57)"	CC(C(=O)NC(CCC(=O)NCCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C	ONZWDOVVVUQSFL-UHFFFAOYSA-N
DG57078	NSC683694	388676	"2-[[2-[2-[3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)-2-methyl-tetrahydropyran-4-yl]oxypropanoylamino]-3-methyl-butanoyl]amino]-N'-[3-[(1-nitro-9,10-dihydroacridin-9-yl)amino]propyl]pentanediamide; NSC683694; CHEMBL2004062; NSC-683694; NCI60_030058; 2-[[2-[2-[3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)-2-methyl-tetrahydropyran-4-yl]oxypropanoylamino]-3-methyl-butanoyl]amino]-N'-[3-[(1-nitro-9,10-dihydroacridin-9-yl)amino]propyl]pentanediamide; 2-{2-[2-(3-Acetylamino-2-benzyloxy-5-hydroxy-6-hydroxymethyl-2-methyl-tetrahydro-pyran-4-yloxy)-propionylamino]-3-methyl-butyrylamino}-pentanedioic acid 1-amide 5-{[3-(1-nitro-9,10-dihydro-acridin-9-ylamino)-propyl]-amide}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683694	.	.	.	.	905	C45H60N8O12	298	1610	2.3	65	9	14	21	"InChI=1S/C45H60N8O12/c1-25(2)37(52-43(59)26(3)64-40-39(57)34(23-54)65-45(5,41(40)49-27(4)55)63-24-28-13-7-6-8-14-28)44(60)51-32(42(46)58)19-20-35(56)47-21-12-22-48-38-29-15-9-10-16-30(29)50-31-17-11-18-33(36(31)38)53(61)62/h6-11,13-18,25-26,32,34,37-41,48,50,54,57H,12,19-24H2,1-5H3,(H2,46,58)(H,47,56)(H,49,55)(H,51,60)(H,52,59)"	CC(C)C(C(=O)NC(CCC(=O)NCCCNC1C2=CC=CC=C2NC3=C1C(=CC=C3)[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4NC(=O)C)(C)OCC5=CC=CC=C5)CO)O	RXBMMXAOWQSXDK-UHFFFAOYSA-N
DG57079	NSC683695	388677	"2-[2-[[2-[3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)-2-methyl-tetrahydropyran-4-yl]oxyacetyl]amino]propanoylamino]-N'-[5-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]pentyl]pentanediamide; NSC683695; CHEMBL1994441; NSC-683695; NCI60_030059; 2-[2-[[2-[3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)-2-methyl-tetrahydropyran-4-yl]oxyacetyl]amino]propanoylamino]-N'-[5-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]pentyl]pentanediamide; 2-{2-[2-(3-Acetylamino-2-benzyloxy-5-hydroxy-6-hydroxymethyl-2-methyl-tetrahydro-pyran-4-yloxy)-acetylamino]-propionylamino}-pentanedioic acid 1-amide 5-{[5-(4-nitro-9-oxo-9,10-dihydro-acridin-1-ylamino)-pentyl]-amide}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683695	.	.	.	.	905	C44H56N8O13	315	1650	2	65	9	15	22	"InChI=1S/C44H56N8O13/c1-25(48-35(56)24-63-40-39(58)33(22-53)65-44(3,41(40)49-26(2)54)64-23-27-12-6-4-7-13-27)43(60)51-31(42(45)59)17-19-34(55)47-21-11-5-10-20-46-30-16-18-32(52(61)62)37-36(30)38(57)28-14-8-9-15-29(28)50-37/h4,6-9,12-16,18,25,31,33,39-41,46,53,58H,5,10-11,17,19-24H2,1-3H3,(H2,45,59)(H,47,55)(H,48,56)(H,49,54)(H,50,57)(H,51,60)"	CC(C(=O)NC(CCC(=O)NCCCCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)C(=O)N)NC(=O)COC4C(C(OC(C4NC(=O)C)(C)OCC5=CC=CC=C5)CO)O	KOGMQMFXOGAMFW-UHFFFAOYSA-N
DG57080	"1-Adamantyl 4-(((2-bromo-3,6-dioxo-1,4-cyclohexadien-1-yl)methyl)amino)benzoate"	388707	"NSC683766; CHEMBL1971483; ZINC42190900; NSC-683766; NCI60_030094; 1-Adamantyl 4-(((2-bromo-3,6-dioxo-1,4-cyclohexadien-1-yl)methyl)amino)benzoate; 1-adamantyl 4-[(2-bromo-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methylamino]benzoate; Benzoic acid,6-dioxo-1,4-cyclohexadienyl)methyl]-amino]-, 1-adamantyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683766	.	.	.	.	470.4	C24H24BrNO4	72.5	780	4.9	30	1	5	6	"InChI=1S/C24H24BrNO4/c25-22-19(20(27)5-6-21(22)28)13-26-18-3-1-17(2-4-18)23(29)30-24-10-14-7-15(11-24)9-16(8-14)12-24/h1-6,14-16,26H,7-13H2"	C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)NCC5=C(C(=O)C=CC5=O)Br	HBNOWTYBRHQJFH-UHFFFAOYSA-N
DG57081	H-DL-Phe(Unk)-DL-Glu(OEt)-OEt.TFA	388713	NSC683774; CHEMBL1971158; NSC-683774	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683774	.	.	.	.	604.4	C24H34Cl2F3N3O7	148	651	.	39	3	12	17	"InChI=1S/C22H33Cl2N3O5.C2HF3O2/c1-3-31-20(28)10-9-19(22(30)32-4-2)26-21(29)18(25)15-16-5-7-17(8-6-16)27(13-11-23)14-12-24;3-2(4,5)1(6)7/h5-8,18-19H,3-4,9-15,25H2,1-2H3,(H,26,29);(H,6,7)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)N.C(=O)(C(F)(F)F)O	OSZHPZVUJYWBQM-UHFFFAOYSA-N
DG57082	H-D-Phe(Unk)-Glu(OEt)-OEt.TFA	388715	CHEMBL1991014; NSC683775; NSC-683775	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683775	.	.	.	.	604.4	C24H34Cl2F3N3O7	148	651	.	39	3	12	17	"InChI=1S/C22H33Cl2N3O5.C2HF3O2/c1-3-31-20(28)10-9-19(22(30)32-4-2)26-21(29)18(25)15-16-5-7-17(8-6-16)27(13-11-23)14-12-24;3-2(4,5)1(6)7/h5-8,18-19H,3-4,9-15,25H2,1-2H3,(H,26,29);(H,6,7)/t18-,19+;/m1./s1"	CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)[C@@H](CC1=CC=C(C=C1)N(CCCl)CCCl)N.C(=O)(C(F)(F)F)O	OSZHPZVUJYWBQM-VOMIJIAVSA-N
DG57083	H-Glu(OEt)-Phe(Unk)-OEt.TFA	388717	CHEMBL1980133; NSC683776; NSC-683776	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683776	.	.	.	.	604.4	C24H34Cl2F3N3O7	148	651	.	39	3	12	17	"InChI=1S/C22H33Cl2N3O5.C2HF3O2/c1-3-31-20(28)10-9-18(25)21(29)26-19(22(30)32-4-2)15-16-5-7-17(8-6-16)27(13-11-23)14-12-24;3-2(4,5)1(6)7/h5-8,18-19H,3-4,9-15,25H2,1-2H3,(H,26,29);(H,6,7)/t18-,19-;/m0./s1"	CCOC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)OCC)N.C(=O)(C(F)(F)F)O	YCHHSVORNXDICG-HLRBRJAUSA-N
DG57084	H-Glu(OEt)-D-Phe(Unk)-OEt.TFA	388719	NSC683777; CHEMBL1975405; NSC-683777	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683777	.	.	.	.	604.4	C24H34Cl2F3N3O7	148	651	.	39	3	12	17	"InChI=1S/C22H33Cl2N3O5.C2HF3O2/c1-3-31-20(28)10-9-18(25)21(29)26-19(22(30)32-4-2)15-16-5-7-17(8-6-16)27(13-11-23)14-12-24;3-2(4,5)1(6)7/h5-8,18-19H,3-4,9-15,25H2,1-2H3,(H,26,29);(H,6,7)/t18-,19+;/m0./s1"	CCOC(=O)CC[C@@H](C(=O)N[C@H](CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)OCC)N.C(=O)(C(F)(F)F)O	YCHHSVORNXDICG-GRTNUQQKSA-N
DG57085	"ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[4-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanoylamino]propanoate"	388729	NSC683782; CHEMBL1968482; NSC-683782; NCI60_030107	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683782	.	.	.	.	672	C34H37Cl3N4O4	91.3	981	6	45	1	6	16	"InChI=1S/C34H37Cl3N4O4/c1-2-45-34(44)29(21-24-10-13-27(14-11-24)40(19-16-35)20-17-36)39-31(42)9-6-18-41-30-15-12-26(37)22-28(30)33(38-23-32(41)43)25-7-4-3-5-8-25/h3-5,7-8,10-15,22,29H,2,6,9,16-21,23H2,1H3,(H,39,42)"	CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4	IDHGEFGDZPCYJX-UHFFFAOYSA-N
DG57086	"5-Methoxy-9H-quinolino[4,3,2-de][1,10]phenanthrolin-9-one"	388732	"143370-23-4; 5-Methoxy-9H-quinolino[4,3,2-de][1,10]phenanthrolin-9-one; 5-Methoxyascididemin; NSC683785; CHEMBL125395; SCHEMBL6846950; DTXSID60931846; ZINC1649600; NSC-683785; NCI60_030110; 9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 5-methoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683785	.	.	.	.	313.3	C19H11N3O2	65	513	2.8	24	0	5	1	"InChI=1S/C19H11N3O2/c1-24-10-4-5-14-13(9-10)11-6-8-21-17-15(11)18(22-14)19(23)12-3-2-7-20-16(12)17/h2-9H,1H3"	COC1=CC2=C3C=CN=C4C3=C(C(=O)C5=C4N=CC=C5)N=C2C=C1	LSUJEFUOJJOYDR-UHFFFAOYSA-N
DG57087	"9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 10-methoxy-"	388733	"NSC683786; CHEMBL121802; SCHEMBL7638107; NSC-683786; NCI60_030111; 9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 10-methoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683786	.	.	.	.	313.3	C19H11N3O2	65	513	2.8	24	0	5	1	"InChI=1S/C19H11N3O2/c1-24-13-7-9-21-17-15(13)19(23)18-14-11(6-8-20-16(14)17)10-4-2-3-5-12(10)22-18/h2-9H,1H3"	COC1=C2C(=NC=C1)C3=NC=CC4=C3C(=NC5=CC=CC=C45)C2=O	NPMBMAQAWUDHLX-UHFFFAOYSA-N
DG57088	"5H-Quino[6,8-ij][2,7]naphthridin-5-one"	388734	"NSC683788; CHEMBL325202; SCHEMBL6414025; ZINC26774; NSC-683788; NCI60_030112; 5H-Quino[6,8-ij][2,7]naphthridin-5-one; 1,6,11-Triaza-7H-benzo[de]anthracene-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683788	.	.	.	.	233.22	C14H7N3O	55.7	359	1.5	18	0	4	0	InChI=1S/C14H7N3O/c18-14-9-2-1-5-15-11(9)12-10-8(3-6-16-12)4-7-17-13(10)14/h1-7H	C1=CC2=C(C3=NC=CC4=C3C(=NC=C4)C2=O)N=C1	PBFIHLLASGHCTR-UHFFFAOYSA-N
DG57089	"9H-Benzo[b]pyrido[4,3,2-mn]acridin-9-one, 2-phenyl-"	388735	"NSC683789; CHEMBL1971198; SCHEMBL22144814; NSC-683789; NCI60_030113; 9H-Benzo[b]pyrido[4,3,2-mn]acridin-9-one, 2-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683789	.	.	.	.	358.4	C25H14N2O	42.8	599	5.5	28	0	3	1	InChI=1S/C25H14N2O/c28-25-18-12-5-4-11-17(18)23-22-19(14-21(27-23)15-8-2-1-3-9-15)16-10-6-7-13-20(16)26-24(22)25/h1-14H	C1=CC=C(C=C1)C2=NC3=C4C(=C2)C5=CC=CC=C5N=C4C(=O)C6=CC=CC=C63	KANYAAXIIQKOJM-UHFFFAOYSA-N
DG57090	"11-[2-(Diethylamino)ethyl]-1,6-diazanaphthacene-5,12-dione"	388736	"NSC683790; CHEMBL2006898; NSC-683790; NCI60_030114; 11-[2-(Diethylamino)ethyl]-1,6-diazanaphthacene-5,12-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683790	.	.	.	.	359.4	C22H21N3O2	63.2	562	3.8	27	0	5	5	"InChI=1S/C22H21N3O2/c1-3-25(4-2)13-11-15-14-8-5-6-10-17(14)24-20-18(15)22(27)19-16(21(20)26)9-7-12-23-19/h5-10,12H,3-4,11,13H2,1-2H3"	CCN(CC)CCC1=C2C(=NC3=CC=CC=C31)C(=O)C4=C(C2=O)N=CC=C4	OPVSYLBSDGXWKB-UHFFFAOYSA-N
DG57091	"4, 1-[(6-Methoxy-2-naphthalenyl)methyl]-, dihydrochloride"	388737	"NSC683791; CHEMBL1972725; NSC-683791; 4, 1-[(6-methoxy-2-naphthalenyl)methyl]-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683791	.	.	.	.	374.9	C22H31ClN2O	24.5	401	.	26	2	3	4	"InChI=1S/C22H30N2O.ClH/c1-25-22-5-4-20-14-17(2-3-21(20)15-22)16-24-12-8-19(9-13-24)18-6-10-23-11-7-18;/h2-5,14-15,18-19,23H,6-13,16H2,1H3;1H"	COC1=CC2=C(C=C1)C=C(C=C2)CN3CCC(CC3)C4CCNCC4.Cl	ZWWHQWHCOADMIU-UHFFFAOYSA-N
DG57092	"4, 1,1'-Bis[(6-methoxy-2-naphthalenyl)methyl]-, dihydrochloride"	388739	"NSC683792; NSC-683792; CHEMBL1982587; CCG-36111; CCG-36471; 4, 1,1'-bis[(6-methoxy- 2-naphthalenyl)methyl]-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683792	.	.	.	.	545.2	C34H41ClN2O2	24.9	655	.	39	1	4	7	"InChI=1S/C34H40N2O2.ClH/c1-37-33-9-7-29-19-25(3-5-31(29)21-33)23-35-15-11-27(12-16-35)28-13-17-36(18-14-28)24-26-4-6-32-22-34(38-2)10-8-30(32)20-26;/h3-10,19-22,27-28H,11-18,23-24H2,1-2H3;1H"	COC1=CC2=C(C=C1)C=C(C=C2)CN3CCC(CC3)C4CCN(CC4)CC5=CC6=C(C=C5)C=C(C=C6)OC.Cl	LUPNOSLMQDNFBG-UHFFFAOYSA-N
DG57093	"2,2-Dimethylspiro[1,3-dioxolane-5,7'-bicyclo[4.2.0]octane]-4,8'-dione"	388760	"NSC683838; CHEMBL1993567; 2,2-dimethylspiro[1,3-dioxolane-5,7'-bicyclo[4.2.0]octane]-4,8'-dione; NSC-683838; NCI60_030129; Spiro[bicyclo[4.2.0]octane-7,4'-[1,3]dioxolane]-5',8-dione, 2',2'-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683838	.	.	.	.	224.25	C12H16O4	52.6	373	1.9	16	0	4	0	"InChI=1S/C12H16O4/c1-11(2)15-10(14)12(16-11)8-6-4-3-5-7(8)9(12)13/h7-8H,3-6H2,1-2H3"	CC1(OC(=O)C2(O1)C3CCCCC3C2=O)C	RBCMPIKMYFAJCK-UHFFFAOYSA-N
DG57094	"5-[1,3-Dithian-2-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxole"	388764	"NSC683842; CHEMBL1991253; 5-[1,3-dithian-2-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxole; NSC-683842; NCI60_030133; 5-(1,3-Dithian-2-yl(3,4,5-trimethoxyphenyl)methyl)-1,3-benzodioxole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683842	.	.	.	.	420.5	C21H24O5S2	96.8	475	5	28	0	7	6	"InChI=1S/C21H24O5S2/c1-22-17-10-14(11-18(23-2)20(17)24-3)19(21-27-7-4-8-28-21)13-5-6-15-16(9-13)26-12-25-15/h5-6,9-11,19,21H,4,7-8,12H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C(C2SCCCS2)C3=CC4=C(C=C3)OCO4	ODTWEHBQUGQFIU-UHFFFAOYSA-N
DG57095	5-Amino-2-(benzyloxymethyl)oxazole-4-carbonitrile	388803	"NSC683890; CHEMBL1975969; NSC-683890; NCI60_030168; 5-amino-2-(benzyloxymethyl)oxazole-4-carbonitrile; 2-[(Benzyloxy)methyl]-5-aminooxazole-4-carbonitrile; 5-Amino-2-((benzyloxy)methyl)-1,3-oxazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683890	.	.	.	.	229.23	C12H11N3O2	85.1	283	1.8	17	1	5	4	"InChI=1S/C12H11N3O2/c13-6-10-12(14)17-11(15-10)8-16-7-9-4-2-1-3-5-9/h1-5H,7-8,14H2"	C1=CC=C(C=C1)COCC2=NC(=C(O2)N)C#N	INXWPKXPEASLEZ-UHFFFAOYSA-N
DG57096	4-Carbamoyl-1h-imidazol-5-yl thiocyanate	388844	"NSC684038; 4-carbamoyl-1h-imidazol-5-yl thiocyanate; CHEMBL1974220; ZINC5605533; STL436959; AKOS005220478; MCULE-9015349446; NSC-684038; NCI60_030207; (4-carbamoyl-1H-imidazol-5-yl) thiocyanate; 1H-Imidazole-4-carboxamide, 5-thiocyanato-; 4-(Aminocarbonyl)-1H-imidazol-5-yl thiocyanate; 5-(CYANOSULFANYL)-1H-IMIDAZOLE-4-CARBOXAMIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684038	.	.	.	.	168.18	C5H4N4OS	121	210	0.2	11	2	4	2	"InChI=1S/C5H4N4OS/c6-1-11-5-3(4(7)10)8-2-9-5/h2H,(H2,7,10)(H,8,9)"	C1=NC(=C(N1)C(=O)N)SC#N	GPINFQBTFXFXNK-UHFFFAOYSA-N
DG57097	"1,3-Dimethyl-8-nitroso-3,7-dihydro-1H-purine-2,6-dione"	388851	"NSC684045; 1,3-Dimethyl-8-nitroso-3,7-dihydro-1H-purine-2,6-dione; 1,3-dimethyl-8-nitroso-7H-purine-2,6-dione; CHEMBL1979172; ZINC4475944; STL445932; AKOS005220523; MCULE-8176116390; NSC-684045; NCI60_030214"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684045	.	.	.	.	209.16	C7H7N5O3	98.7	333	-0.3	15	1	5	0	"InChI=1S/C7H7N5O3/c1-11-4-3(8-6(9-4)10-15)5(13)12(2)7(11)14/h1-2H3,(H,8,9)"	CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N=O	GHSGEDJZTQNMRM-UHFFFAOYSA-N
DG57098	"Thiazole, 2-(3,5-dimethyl-1-pyrazolyl)-4-methyl-"	388857	"75007-32-8; 2-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole; NSC684051; Thiazole, 2-(3,5-dimethyl-1-pyrazolyl)-4-methyl-; BRN 4999324; 1-(4-Methylthiazol-2-yl)-3,5-dimethylpyrazole; 2-(3,5-Dimethyl-1-pyrazolyl)-4-methylthiazole; Thiazole, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl- (10CI); CHEMBL1991843; DTXSID30225966; ZINC1414032; STL445833; AKOS005219753; MCULE-4258549004; NSC-684051; NCI60_030220; 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-thiazole; 2-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-methylthiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684051	.	.	.	.	193.27	C9H11N3S	59	188	2.5	13	0	3	1	"InChI=1S/C9H11N3S/c1-6-4-8(3)12(11-6)9-10-7(2)5-13-9/h4-5H,1-3H3"	CC1=CC(=NN1C2=NC(=CS2)C)C	JEFRVCKLXOOWNK-UHFFFAOYSA-N
DG57099	"5-[(E)-dimethylaminoazo]-1,3-dihydrobenzimidazol-2-one"	388858	"NSC684052; CHEMBL2006842; NSC-684052; NCI60_030221; 5-[(E)-dimethylaminoazo]-1,3-dihydrobenzimidazol-2-one; 5-(3,3-Dimethyl-1-triazenyl)-1,3-dihydro-2H-benzimidazol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684052	.	.	.	.	205.22	C9H11N5O	69.1	278	1.2	15	2	4	2	"InChI=1S/C9H11N5O/c1-14(2)13-12-6-3-4-7-8(5-6)11-9(15)10-7/h3-5H,1-2H3,(H2,10,11,15)"	CN(C)N=NC1=CC2=C(C=C1)NC(=O)N2	NRRTWQIEQWKPCR-UHFFFAOYSA-N
DG57100	"3-methyl-4-pyrrol-1-yl-1H-1,2,4-triazol-5-one"	388866	"NSC684059; 3-methyl-4-pyrrol-1-yl-1H-1,2,4-triazol-5-one; CHEMBL1984225; 5-Methyl-4-(1H-pyrrol-1-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one; NSC-684059; NCI60_030228"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684059	.	.	.	.	164.16	C7H8N4O	49.6	232	0.1	12	1	2	1	"InChI=1S/C7H8N4O/c1-6-8-9-7(12)11(6)10-4-2-3-5-10/h2-5H,1H3,(H,9,12)"	CC1=NNC(=O)N1N2C=CC=C2	AZLGNODBUCBVHL-UHFFFAOYSA-N
DG57101	"1-(3-benzyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrolidine-2,5-dione"	388874	"NSC684067; CHEMBL1996392; 1-(3-benzyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrolidine-2,5-dione; NSC-684067; NCI60_030236; 2,5-Pyrrolidinedione, 1-[1,5-dihydro-5-oxo-3-(phenylmethyl)-4H-1,2,4-triazol-4-yl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684067	.	.	.	.	272.26	C13H12N4O3	82.1	466	0.1	20	1	4	2	"InChI=1S/C13H12N4O3/c18-11-6-7-12(19)17(11)16-10(14-15-13(16)20)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,15,20)"	C1CC(=O)N(C1=O)N2C(=NNC2=O)CC3=CC=CC=C3	PHVMNKOARVNDRG-UHFFFAOYSA-N
DG57102	"3H-[1,2]Dithiolo[4,3-d]pyrimidine-5,7-diol"	388876	"NSC684074; 7H-5,3-d]uracil; 3H-[1,2]Dithiolo[4,3-d]pyrimidine-5,7-diol; SCHEMBL6646723; CHEMBL2000811; ZINC1649681; NSC-684074; 3H-dithiolo[4,3-d]pyrimidine-5,7-diol; NCI60_030238"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684074	.	.	.	.	188.2	C5H4N2O2S2	109	274	-0.6	11	2	4	0	"InChI=1S/C5H4N2O2S2/c8-4-3-2(1-10-11-3)6-5(9)7-4/h1H2,(H2,6,7,8,9)"	C1C2=C(C(=O)NC(=O)N2)SS1	MADOTEVJKDEDPC-UHFFFAOYSA-N
DG57103	"2-[4-[5-(5-Methyl-2-thienyl)pentoxy]phenyl]-4,5-dihydrooxazole"	388877	"NSC684105; 2-[4-[5-(5-methyl-2-thienyl)pentoxy]phenyl]-4,5-dihydrooxazole; CHEMBL166524; NSC-684105; NCI60_030239; 5-Methyl-2-[5-[4-(2-oxazolin-2-yl)phenoxy]pentyl]thiophene; 2-(4-((5-(5-Methyl-2-thienyl)pentyl)oxy)phenyl)-4,5-dihydro-1,3-oxazole; 2-{4-[5-(5-Methyl-thiophen-2-yl)-pentyloxy]-phenyl}-4,5-dihydro-oxazole; 4-(4,5-Dihydro-1,3-oxazol-2-yl)phenyl 5-(5-methyl-2-thienyl)pentyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684105	.	.	.	.	329.5	C19H23NO2S	59.1	380	4.6	23	0	4	8	"InChI=1S/C19H23NO2S/c1-15-6-11-18(23-15)5-3-2-4-13-21-17-9-7-16(8-10-17)19-20-12-14-22-19/h6-11H,2-5,12-14H2,1H3"	CC1=CC=C(S1)CCCCCOC2=CC=C(C=C2)C3=NCCO3	GNOSMNWVRJWWKC-UHFFFAOYSA-N
DG57104	"1-Pentanone, 5-[4-(4,5-dihydro-2-oxazolyl)phenoxy]-1-(1,2,5-trimethyl-1H-pyrrol-3-yl)-"	388878	"NSC684106; CHEMBL166681; NSC-684106; 1-Pentanone, 5-[4-(4,5-dihydro-2-oxazolyl)phenoxy]-1-(1,2,5-trimethyl-1H-pyrrol-3-yl)-; NCI60_030240; 5-[4-(4,5-dihydrooxazol-2-yl)phenoxy]-1-(1,2,5-trimethylpyrrol-3-yl)pentan-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684106	.	.	.	.	354.4	C21H26N2O3	52.8	500	3	26	0	4	8	"InChI=1S/C21H26N2O3/c1-15-14-19(16(2)23(15)3)20(24)6-4-5-12-25-18-9-7-17(8-10-18)21-22-11-13-26-21/h7-10,14H,4-6,11-13H2,1-3H3"	CC1=CC(=C(N1C)C)C(=O)CCCCOC2=CC=C(C=C2)C3=NCCO3	CPNRNRHXPSOFQA-UHFFFAOYSA-N
DG57105	1-methoxy-N'-(1-methoxy-4-phenyl-isoquinoline-3-carbonyl)-4-phenyl-isoquinoline-3-carbohydrazide	388886	NSC684111; CHEMBL2007554; NSC-684111; NCI60_030245; 1-Methoxy-4-phenyl-isoquinoline-3-carboxylic acid N'-(1-methoxy-4-phenyl-isoquinoline-3-carbonyl)-hydrazide; 1-methoxy-N'-(1-methoxy-4-phenyl-isoquinoline-3-carbonyl)-4-phenyl-isoquinoline-3-carbohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684111	.	.	.	.	554.6	C34H26N4O4	102	834	7.3	42	2	6	6	"InChI=1S/C34H26N4O4/c1-41-33-25-19-11-9-17-23(25)27(21-13-5-3-6-14-21)29(35-33)31(39)37-38-32(40)30-28(22-15-7-4-8-16-22)24-18-10-12-20-26(24)34(36-30)42-2/h3-20H,1-2H3,(H,37,39)(H,38,40)"	COC1=NC(=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)NNC(=O)C4=C(C5=CC=CC=C5C(=N4)OC)C6=CC=CC=C6	XXKFRVWNZPWMRM-UHFFFAOYSA-N
DG57106	"2,3-Dimethoxy-6,7-dihydroisoquino[3,2-a][2]benzazepin-9(5H)-one"	388887	"NSC684112; CHEMBL1978943; 2,3-dimethoxy-6,7-dihydro-5H-isoquinolino[3,2-a][2]benzazepin-9-one; 2,3-Dimethoxy-6,7-dihydroisoquino[3,2-a][2]benzazepin-9(5H)-one; NSC-684112; NCI60_030246"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684112	.	.	.	.	321.4	C20H19NO3	38.8	517	3.5	24	0	3	2	"InChI=1S/C20H19NO3/c1-23-18-11-14-7-5-9-21-17(16(14)12-19(18)24-2)10-13-6-3-4-8-15(13)20(21)22/h3-4,6,8,10-12H,5,7,9H2,1-2H3"	COC1=C(C=C2C(=C1)CCCN3C2=CC4=CC=CC=C4C3=O)OC	PWTVKJXKEFDTDP-UHFFFAOYSA-N
DG57107	"8-(4-Bromophenyl)-2-ethyl-2,8-dihydro-4H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidin-4-one"	388888	"NSC684113; CHEMBL1972485; ZINC1649689; NSC-684113; 8-(4-Bromophenyl)-2-ethyl-2,8-dihydro-4H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidin-4-one; NCI60_030247; 8-(4-bromophenyl)-2-ethyl-[1,2,4]triazolo[[ ]]pyrazolo[[ ]]pyrimidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684113	.	.	.	.	359.18	C14H11BrN6O	66.1	529	1.9	22	0	4	2	"InChI=1S/C14H11BrN6O/c1-2-19-7-11-12(18-19)17-14-20(8-16-21(14)13(11)22)10-5-3-9(15)4-6-10/h3-8H,2H2,1H3"	CCN1C=C2C(=N1)N=C3N(C=NN3C2=O)C4=CC=C(C=C4)Br	LCWLYTDECDZELT-UHFFFAOYSA-N
DG57108	"1-(dimethylamino)-4-methyl-4H-pyrido[3,4-g]quinoline-5,10-dione"	388892	"NSC684118; CHEMBL1986149; 1-(dimethylamino)-4-methyl-4H-pyrido[3,4-g]quinoline-5,10-dione; 1-(Dimethylamino)-4-methyl-1,4-dihydropyrido[3,4-g]quinoline-5,10-dione; NSC-684118; NCI60_030251; Pyrido[3,10-dione, 1,4-dihydro- 1-(dimethylamino)-4-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684118	.	.	.	.	269.3	C15H15N3O2	53.5	521	1.7	20	0	5	1	"InChI=1S/C15H15N3O2/c1-9-5-7-18(17(2)3)13-12(9)14(19)11-8-16-6-4-10(11)15(13)20/h4-9H,1-3H3"	CC1C=CN(C2=C1C(=O)C3=C(C2=O)C=CN=C3)N(C)C	PCSMOWAHBVADCZ-UHFFFAOYSA-N
DG57109	"methyl 1-(dimethylamino)-6-hydroxy-5,10-dioxo-4H-benzo[g]quinoline-4-carboxylate"	388893	"NSC684119; CHEMBL1966376; NSC-684119; methyl 1-(dimethylamino)-6-hydroxy-5,10-dioxo-4H-benzo[g]quinoline-4-carboxylate; Methyl 1-(dimethylamino)-6-hydroxy-5,10-dioxo-1,4,5,10-tetrahydrobenzo[g]quinoline-4-carboxylate; NCI60_030252; 1-Dimethylamino-6-hydroxy-5,10-dioxo-1,4,5,10-tetrahydrobenzo[g]quinoline-4-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684119	.	.	.	.	328.32	C17H16N2O5	87.2	651	2.2	24	1	7	3	"InChI=1S/C17H16N2O5/c1-18(2)19-8-7-10(17(23)24-3)13-14(19)15(21)9-5-4-6-11(20)12(9)16(13)22/h4-8,10,20H,1-3H3"	CN(C)N1C=CC(C2=C1C(=O)C3=C(C2=O)C(=CC=C3)O)C(=O)OC	BQUIYVYCBJPAOT-UHFFFAOYSA-N
DG57110	"N,N,N',N'-Tetramethyl(2,7-dinitro-9H-fluoren-9-ylidene)methanediamine"	388898	"NSC684129; CHEMBL2000757; NSC-684129; NCI60_030257; 1-(2,7-dinitrofluoren-9-ylidene)-N,N,N',N'-tetramethyl-methanediamine; Methanediamine, 1-(2,7-dinitro-9H-fluoren-9-ylidene)-N,N,N,N-tetramethyl-; N,N,N',N'-Tetramethyl(2,7-dinitro-9H-fluoren-9-ylidene)methanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684129	.	.	.	.	354.4	C18H18N4O4	98.1	557	3.4	26	0	6	2	"InChI=1S/C18H18N4O4/c1-19(2)18(20(3)4)17-15-9-11(21(23)24)5-7-13(15)14-8-6-12(22(25)26)10-16(14)17/h5-10H,1-4H3"	CN(C)C(=C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=C1C=C(C=C3)[N+](=O)[O-])N(C)C	MZPWRUXNBOTBRH-UHFFFAOYSA-N
DG57111	Bis(4-methylpiperazin-1-yl)methanethione	388906	"NSC684142; bis(4-methylpiperazin-1-yl)methanethione; 4,4'-dimethyl-1,1'-thiocarbonyl-bis-piperazine; CHEMBL2000319; ZINC1649710; NSC-684142; 1141-09-9; NCI60_030265; Methanethione, bis(4-methyl-1-piperazinyl)-; 1-Methyl-4-((4-methyl-1-piperazinyl)carbothioyl)piperazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684142	.	.	.	.	242.39	C11H22N4S	45	218	0	16	0	3	0	"InChI=1S/C11H22N4S/c1-12-3-7-14(8-4-12)11(16)15-9-5-13(2)6-10-15/h3-10H2,1-2H3"	CN1CCN(CC1)C(=S)N2CCN(CC2)C	YOQNUVVBKQRVKO-UHFFFAOYSA-N
DG57112	Bis[4-(3-chlorophenyl)piperazin-1-yl]methanethione	388908	NSC684144; bis[4-(3-chlorophenyl)piperazin-1-yl]methanethione; CHEMBL1980518; ZINC1649712; NSC-684144; NCI60_030267; 1-(3-Chlorophenyl)-4-((4-(3-chlorophenyl)-1-piperazinyl)carbothioyl)piperazine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684144	.	.	.	.	435.4	C21H24Cl2N4S	45	477	4.8	28	0	3	2	"InChI=1S/C21H24Cl2N4S/c22-17-3-1-5-19(15-17)24-7-11-26(12-8-24)21(28)27-13-9-25(10-14-27)20-6-2-4-18(23)16-20/h1-6,15-16H,7-14H2"	C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)N3CCN(CC3)C4=CC(=CC=C4)Cl	RRAFPVMVQWKBJF-UHFFFAOYSA-N
DG57113	1-(4'-Phthalimidopropyl-carbonyl)-5-fluorouracil	388985	NSC684405; NCIMech_000768; CHEMBL1993309; ZINC1649864; CCG-35812; NSC-684405; NCI60_030345; 1-(4'-Phthalimidopropyl-carbonyl)-5-fluorouracil	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684405	.	.	.	.	345.28	C16H12FN3O5	104	665	0.3	25	1	6	4	"InChI=1S/C16H12FN3O5/c17-11-8-20(16(25)18-13(11)22)12(21)6-3-7-19-14(23)9-4-1-2-5-10(9)15(19)24/h1-2,4-5,8H,3,6-7H2,(H,18,22,25)"	C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)N3C=C(C(=O)NC3=O)F	GXBJBHATTFQWAK-UHFFFAOYSA-N
DG57114	"2-Ethoxy-6,7-dehydroestradiol"	388992	"NSC684423; 2-ethoxy-6,7-dehydroestradiol; CHEMBL1992358; NSC-684423; NCI60_030351; 2-Ethoxy-6,3,5(10)-trien-3,17.beta.-diol; 2-Ethoxy-1,3,5(10),6-estratetrene-3,17beta-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684423	.	.	.	.	314.4	C20H26O3	49.7	476	4	23	2	3	2	"InChI=1S/C20H26O3/c1-3-23-18-11-15-12(10-17(18)21)4-5-14-13(15)8-9-20(2)16(14)6-7-19(20)22/h4-5,10-11,13-14,16,19,21-22H,3,6-9H2,1-2H3/t13-,14+,16-,19-,20-/m0/s1"	CCOC1=C(C=C2C=C[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4O)C)O	YUDPWHPTUOHTND-BKRJIHRRSA-N
DG57115	"Methyl 4-[2-(4-bromo-2,5-dihydroxyphenyl)ethyl]benzoate"	388993	"MLS002702349; NSC684424; methyl 4-[2-(4-bromo-2,5-dihydroxyphenyl)ethyl]benzoate; SMR001565911; Methyl 4-(2-(4-bromo-2,5-dihydroxyphenyl)ethyl)benzoate; Methyl 4-[2-[4-bromo-2,5-dihydroxyphenyl]ethyl]benzoate; cid_388993; CHEMBL1716008; BDBM80082; ZINC1649868; NSC-684424; NCI60_030352; methyl 4-[2-(4-bromo-2,5-dihydroxy-phenyl)ethyl]benzoate; 4-[2-(4-bromo-2,5-dihydroxy-phenyl)ethyl]benzoic acid methyl ester; 4-[2-(4-bromo-2,5-dihydroxyphenyl)ethyl]benzoic acid methyl ester; methyl 4-[2-[4-bromanyl-2,5-bis(oxidanyl)phenyl]ethyl]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684424	.	.	.	.	351.19	C16H15BrO4	66.8	341	4	21	2	4	5	"InChI=1S/C16H15BrO4/c1-21-16(20)11-5-2-10(3-6-11)4-7-12-8-15(19)13(17)9-14(12)18/h2-3,5-6,8-9,18-19H,4,7H2,1H3"	COC(=O)C1=CC=C(C=C1)CCC2=CC(=C(C=C2O)Br)O	QOUKJAZSKBNNGR-UHFFFAOYSA-N
DG57116	NSC684444	389005	"6,20-Ditert-butyl-3,10,13,16,23-pentaoxa-26,27,28-triazatetracyclo[23.2.1.04,9.017,22]octacosa-1(28),4(9),5,7,17(22),18,20,25-octaene; NSC684444; CHEMBL2003937; ZINC5823169; NSC-684444; NCI60_030367; 11H-7,10-Nitrilodibenzo[i,r][1,8,11,14,17,4,5]pentaoxadiazacyclononadecine, 3,14-bis(1,1-dimethylethyl)-6,9,18,19,21,22-hexahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684444	.	.	.	.	495.6	C28H37N3O5	87.7	667	5.9	36	1	7	2	"InChI=1S/C28H37N3O5/c1-27(2,3)19-7-9-21-23(15-19)35-17-25-29-26(31-30-25)18-36-24-16-20(28(4,5)6)8-10-22(24)34-14-12-32-11-13-33-21/h7-10,15-16H,11-14,17-18H2,1-6H3,(H,29,30,31)"	CC(C)(C)C1=CC2=C(C=C1)OCCOCCOC3=C(C=C(C=C3)C(C)(C)C)OCC4=NNC(=N4)CO2	PDNKHMUOJIIFNM-UHFFFAOYSA-N
DG57117	"2-(3-Chlorophenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one"	389012	"MLS002702350; NSC684480; NSC-684480; SMR001565912; NCIMech_000798; CHEMBL282852; cid_389012; SCHEMBL8407517; BDBM96056; CCG-35813; 2-(3-chlorophenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one; NCI60_030373; 7H-Pyrido[3, 2-(3-chlorophenyl)- 5,6-dihydro-4-phenyl-; 8-Phenyl-10-(3-chlorophenyl)-11-aza-5H-dibenzo[b,d]azepine-6(7H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684480	.	.	.	.	396.9	C25H17ClN2O	42	577	5.3	29	1	2	2	"InChI=1S/C25H17ClN2O/c26-18-10-6-9-17(13-18)23-14-20(16-7-2-1-3-8-16)21-15-24(29)27-22-12-5-4-11-19(22)25(21)28-23/h1-14H,15H2,(H,27,29)"	C1C2=C(C3=CC=CC=C3NC1=O)N=C(C=C2C4=CC=CC=C4)C5=CC(=CC=C5)Cl	OUUZVUWPJALXST-UHFFFAOYSA-N
DG57118	"Isopropyl 4-(2-(3,6-dioxo-1,4-cyclohexadien-1-yl)ethyl)benzoate"	389014	"NSC684496; CHEMBL2006882; ZINC1649894; NSC-684496; NCI60_030375; Benzoic acid,6-dioxo-1,4-cyclohexadienyl)ethyl]-, isopropyl ester; Isopropyl 4-(2-(3,6-dioxo-1,4-cyclohexadien-1-yl)ethyl)benzoate; isopropyl 4-[2-(3,6-dioxocyclohexa-1,4-dien-1-yl)ethyl]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684496	.	.	.	.	298.3	C18H18O4	60.4	505	2.9	22	0	4	6	"InChI=1S/C18H18O4/c1-12(2)22-18(21)14-6-3-13(4-7-14)5-8-15-11-16(19)9-10-17(15)20/h3-4,6-7,9-12H,5,8H2,1-2H3"	CC(C)OC(=O)C1=CC=C(C=C1)CCC2=CC(=O)C=CC2=O	STLHEFVFTLZREP-UHFFFAOYSA-N
DG57119	NSC684506	389017	"24,26,30-Tetranoroleana-1(10),3,5,7-tetraene-2,21-dione,3,22-dihydroxy-9,13-dimethyl-, (9beta,13alpha,14beta,20beta,22beta)-(9CI; NSC684506; CHEMBL1999709; SCHEMBL19604972; NSC-684506; NCI60_030378; 24,26,30-Tetranoroleana-1(10),3,5,7-tetraene-2,21-dione,3 ,22-dihydroxy-9,13-dimethyl-, (9.beta.,13.alpha.,14.beta.,20.beta.,22.beta.)- (9CI"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684506	.	.	.	.	436.6	C28H36O4	74.6	1070	4.7	32	2	4	0	"InChI=1S/C28H36O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h7-8,14-15,21,24,31-32H,9-13H2,1-6H3/t15-,21 ,24-,25+,26-,27-,28+/m1/s1"	C[C@@H]1CC2[C@@](CC[C@]3([C@]2(CC[C@@]4(C3=CC=C5C4=CC(=O)C(=C5C)O)C)C)C)([C@@H](C1=O)O)C	QIRUFAFQGKOTKA-YKUCPAPWSA-N
DG57120	"2-[(9-amino-5-methylacridine-4-carbonyl)amino]-N,N-dimethylethanamine oxide;hydrochloride"	389050	NSC684667; CHEMBL1968196; NSC-684667	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684667	.	.	.	.	374.9	C19H23ClN4O2	86.1	484	.	26	3	4	4	"InChI=1S/C19H22N4O2.ClH/c1-12-6-4-7-13-16(20)14-8-5-9-15(18(14)22-17(12)13)19(24)21-10-11-23(2,3)25;/h4-9H,10-11H2,1-3H3,(H2,20,22)(H,21,24);1H"	CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)[O-])N.Cl	NVDWLLFNNXJCST-UHFFFAOYSA-N
DG57121	"2-Chloro-6-methoxy-4-methyl-7-propyl-5,8-quinolinedione"	389064	"NSC684703; CHEMBL1971921; NSC-684703; NCI60_030405; 5, 2-chloro-6-methoxy-4-methyl-7-propyl-; 2-Chloro-6-methoxy-4-methyl-7-propyl-5,8-quinolinedione; 2-chloro-6-methoxy-4-methyl-7-propyl-quinoline-5,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684703	.	.	.	.	279.72	C14H14ClNO3	56.3	432	3.6	19	0	4	3	"InChI=1S/C14H14ClNO3/c1-4-5-8-12(17)11-10(13(18)14(8)19-3)7(2)6-9(15)16-11/h6H,4-5H2,1-3H3"	CCCC1=C(C(=O)C2=C(C1=O)N=C(C=C2C)Cl)OC	DIIFPMMVAZCIQO-UHFFFAOYSA-N
DG57122	"1-Ethoxy-5-methoxy-6-methylpyrido[3,2-a]phenazine"	389067	"NSC684706; 1-Ethoxy-5-methoxy-6-methylpyrido[3,2-a]phenazine; CHEMBL1970769; NSC-684706; NCI60_030408; 1-ethoxy-5-methoxy-6-methyl-pyrido[3,2-a]phenazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684706	.	.	.	.	319.4	C19H17N3O2	57.1	435	3.6	24	0	5	3	"InChI=1S/C19H17N3O2/c1-4-24-14-9-10-20-18-15(14)17-16(11(2)19(18)23-3)21-12-7-5-6-8-13(12)22-17/h5-10H,4H2,1-3H3"	CCOC1=C2C(=NC=C1)C(=C(C3=NC4=CC=CC=C4N=C23)C)OC	JBUYZPDZOKNNRL-UHFFFAOYSA-N
DG57123	"2-(2,2-Dimethylpropanoyl)-4,4-dimethyl-3-oxopentanenitrile"	389075	"NSC684725; CHEMBL1964576; SCHEMBL23091838; 2-(2,2-Dimethylpropanoyl)-4,4-dimethyl-3-oxopentanenitrile; NSC-684725; NCI60_030417; 2,2-Bis(2,2-dimethylpropionyl)acetonitrile; 2-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-oxo-pentanenitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684725	.	.	.	.	209.28	C12H19NO2	57.9	294	2.6	15	0	3	4	"InChI=1S/C12H19NO2/c1-11(2,3)9(14)8(7-13)10(15)12(4,5)6/h8H,1-6H3"	CC(C)(C)C(=O)C(C#N)C(=O)C(C)(C)C	ZYZNSVWOHMGKJP-UHFFFAOYSA-N
DG57124	NSC684749	389088	"N-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxo-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide; 2,2,2-trifluoroacetic acid; NSC684749; CHEMBL1966754; NSC-684749; N-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxo-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide; 2,2,2-trifluoroacetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684749	.	.	.	.	761.8	C33H42F3N11O7	219	1210	.	54	6	12	14	"InChI=1S/C31H41N11O5.C2HF3O2/c1-38(2)12-7-9-32-26(43)8-10-34-28(44)23-14-20(17-40(23)4)35-29(45)24-15-21(18-41(24)5)36-30(46)25-16-22(19-42(25)6)37-31(47)27-33-11-13-39(27)3;3-2(4,5)1(6)7/h11,13-19H,7-10,12H2,1-6H3,(H,32,43)(H,34,44)(H,35,45)(H,36,46)(H,37,47);(H,6,7)"	CN1C=CN=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=O)NCCCN(C)C)C)C)C.C(=O)(C(F)(F)F)O	HMYDNNNZWPJNBM-UHFFFAOYSA-N
DG57125	"5-Amino-2-[3-(5-amino-4-cyano-oxazol-2-yl)-3-(1,3-dioxoisoindolin-2-yl)propyl]oxazole-4-carbonitrile"	389100	"NSC684785; CHEMBL2001988; NSC-684785; NCI60_030439; 4-Oxazolecarbonitrile, 2,2'-[1-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1,3-propanediyl]bis[5-amino-; 5-amino-2-[3-(5-amino-4-cyano-oxazol-2-yl)-3-(1,3-dioxoisoindolin-2-yl)propyl]oxazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684785	.	.	.	.	403.4	C19H13N7O4	189	779	2.2	30	2	10	5	"InChI=1S/C19H13N7O4/c20-7-11-15(22)29-14(24-11)6-5-13(17-25-12(8-21)16(23)30-17)26-18(27)9-3-1-2-4-10(9)19(26)28/h1-4,13H,5-6,22-23H2"	C1=CC=C2C(=C1)C(=O)N(C2=O)C(CCC3=NC(=C(O3)N)C#N)C4=NC(=C(O4)N)C#N	LOXUYMJPHFXZRY-UHFFFAOYSA-N
DG57126	"5-Amino-2-(2,2,5,5-tetramethyl-tetrahydro-1,3,4,6,8-pentaoxa-cyclopenta[a]inden-8a-yl)-oxazole-4-carbonitrile"	389104	"NSC684789; CHEMBL2004960; NSC-684789; NCI60_030443; 5-Amino-2-(2,2,5,5-tetramethyl-tetrahydro-1,3,4,6,8-pentaoxa-cyclopenta[a]inden-8a-yl)-oxazole-4-carbonitrile; 5-amino-2-(2,2,7,7-tetramethyl-4a,5,8a,8b-tetrahydro-[1,3]dioxolo[[ ]:[ ]]furo[[ ]][1,3]dioxin-3a-yl)oxazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684789	.	.	.	.	337.33	C15H19N3O6	122	589	0.6	24	1	9	1	"InChI=1S/C15H19N3O6/c1-13(2)19-6-8-9(22-13)10-15(21-8,24-14(3,4)23-10)12-18-7(5-16)11(17)20-12/h8-10H,6,17H2,1-4H3"	CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C4=NC(=C(O4)N)C#N)C	HZQUCEPQNXRVFR-UHFFFAOYSA-N
DG57127	"5,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-4H-thiazol-2-amine"	389117	"NSC684802; Maybridge1_002423; DivK1c_001175; CHEMBL2003732; HMS548G03; ZINC135022; CCG-236059; MCULE-4034564062; NSC-684802; CDS1_000135; NCI60_030456; 5,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-4H-thiazol-2-amine; 5,5-Dimethyl-N-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1,3-thiazol-2-amine; N-(5,5-Dimethyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-(trifluoromethyl)phenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684802	.	.	.	.	274.31	C12H13F3N2S	49.7	339	3.2	18	1	5	2	"InChI=1S/C12H13F3N2S/c1-11(2)7-16-10(18-11)17-9-5-3-4-8(6-9)12(13,14)15/h3-6H,7H2,1-2H3,(H,16,17)"	CC1(CN=C(S1)NC2=CC=CC(=C2)C(F)(F)F)C	NICNMRAINRVNPL-UHFFFAOYSA-N
DG57128	"N-(3-Fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine"	389119	"NSC684804; N-(3-Fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine; CHEMBL1998455; STK377701; AKOS000319396; MCULE-2678100527; NSC-684804; NCI60_030458; 2-(3-Fluoroanilino)-5-methyl-2-thiazoline; N-(3-fluorophenyl)-5-methyl-4,5-dihydrothiazol-2-amine; N-(3-Fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine #; N-(3-Fluorophenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684804	.	.	.	.	210.27	C10H11FN2S	49.7	232	2.3	14	1	3	2	"InChI=1S/C10H11FN2S/c1-7-6-12-10(14-7)13-9-4-2-3-8(11)5-9/h2-5,7H,6H2,1H3,(H,12,13)"	CC1CN=C(S1)NC2=CC(=CC=C2)F	HACQCQBZFCWXOT-UHFFFAOYSA-N
DG57129	N-[[2-(p-tolylsulfonyl)hydrazino]methyl]benzamide	389125	NSC684810; CHEMBL2004191; NSC-684810; NCI60_030464; N-[[2-(p-tolylsulfonyl)hydrazino]methyl]benzamide; N-((2-((4-Methylphenyl)sulfonyl)hydrazino)methyl)benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684810	.	.	.	.	319.4	C15H17N3O3S	95.7	447	2.1	22	3	5	6	"InChI=1S/C15H17N3O3S/c1-12-7-9-14(10-8-12)22(20,21)18-17-11-16-15(19)13-5-3-2-4-6-13/h2-10,17-18H,11H2,1H3,(H,16,19)"	CC1=CC=C(C=C1)S(=O)(=O)NNCNC(=O)C2=CC=CC=C2	XJCVCBOMIPBXLM-UHFFFAOYSA-N
DG57130	"Ethyl 2-(3-chloro-4-fluoroanilino)-3,3,3-trifluoro-2-(propionylamino)propanoate"	389134	"NSC684819; Ethyl 2-(3-chloro-4-fluoroanilino)-3,3,3-trifluoro-2-(propionylamino)propanoate; CHEMBL1967904; STK691020; AKOS003314282; MCULE-4186924229; NSC-684819; NCI60_030473; ethyl 2-(3-chloro-4-fluoro-anilino)-3,3,3-trifluoro-2-(propanoylamino)propanoate; ethyl 2-[(3-chloro-4-fluorophenyl)amino]-3,3,3-trifluoro-N-propanoylalaninate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684819	.	.	.	.	370.73	C14H15ClF4N2O3	67.4	464	4.3	24	2	8	7	"InChI=1S/C14H15ClF4N2O3/c1-3-11(22)21-13(14(17,18)19,12(23)24-4-2)20-8-5-6-10(16)9(15)7-8/h5-7,20H,3-4H2,1-2H3,(H,21,22)"	CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC(=C(C=C1)F)Cl	ZRKQZIKBYJDQCC-UHFFFAOYSA-N
DG57131	"Ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanoate"	389135	"NSC684820; Ethyl 3,3,3-trifluoro-2-(propionylamino)-2-((3-(trifluoromethyl)benzyl)amino)propanoate; ethyl 3,3,3-trifluoro-2-(propionylamino)-2-{[3-(trifluoromethyl)benzyl]amino}propanoate; CHEMBL1980633; C16H18F6N2O3; STK786819; AKOS003314291; MCULE-2629955530; NSC-684820; ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanoate; NCI60_030474; ethyl 3,3,3-trifluoro-N-propanoyl-2-{[3-(trifluoromethyl)benzyl]amino}alaninate; 372180-48-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684820	.	.	.	.	400.32	C16H18F6N2O3	67.4	523	3.3	27	2	10	8	"InChI=1S/C16H18F6N2O3/c1-3-12(25)24-14(16(20,21)22,13(26)27-4-2)23-9-10-6-5-7-11(8-10)15(17,18)19/h5-8,23H,3-4,9H2,1-2H3,(H,24,25)"	CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NCC1=CC(=CC=C1)C(F)(F)F	IYWPSMCNQLMKKH-UHFFFAOYSA-N
DG57132	"Ethyl 3,3,3-trifluoro-2-((2-fluorobenzoyl)amino)-2-hydroxypropanoate"	389140	"NSC684825; CHEMBL1978304; AKOS003314048; NSC-684825; NCI60_030479; Ethyl 3,3,3-trifluoro-2-((2-fluorobenzoyl)amino)-2-hydroxypropanoate; ethyl 3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]-2-hydroxy-propanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684825	.	.	.	.	309.21	C12H11F4NO4	75.6	401	2	21	2	8	5	"InChI=1S/C12H11F4NO4/c1-2-21-10(19)11(20,12(14,15)16)17-9(18)7-5-3-4-6-8(7)13/h3-6,20H,2H2,1H3,(H,17,18)"	CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=CC=C1F)O	FXAKASMYYMSKHS-UHFFFAOYSA-N
DG57133	"N-(1-Chloro-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-4-fluorobenzamide"	389148	"NSC684832; CHEMBL1970028; NSC-684832; NCI60_030486; N-(1-Chloro-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-4-fluorobenzamide; N-[1-chloro-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-4-fluoro-benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684832	.	.	.	.	323.59	C10H5ClF7NO	29.1	346	4.1	20	1	8	2	"InChI=1S/C10H5ClF7NO/c11-8(9(13,14)15,10(16,17)18)19-7(20)5-1-3-6(12)4-2-5/h1-4H,(H,19,20)"	C1=CC(=CC=C1C(=O)NC(C(F)(F)F)(C(F)(F)F)Cl)F	UFEFZALBEJBCMA-UHFFFAOYSA-N
DG57134	"2-Methyl-N-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)benzamide"	389150	"NSC684834; 2-Methyl-N-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)benzamide; 2-methyl-N-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]benzamide; CHEMBL2000347; ZINC1650015; NSC-684834; NCI60_030488"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684834	.	.	.	.	301.18	C11H9F6NO2	49.3	351	2.5	20	2	8	2	"InChI=1S/C11H9F6NO2/c1-6-4-2-3-5-7(6)8(19)18-9(20,10(12,13)14)11(15,16)17/h2-5,20H,1H3,(H,18,19)"	CC1=CC=CC=C1C(=O)NC(C(F)(F)F)(C(F)(F)F)O	SMXVQRCIOXFCHT-UHFFFAOYSA-N
DG57135	"N-(2,2,2-Trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethyl)butanamide"	389152	"NSC684836; N-(2,2,2-Trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethyl)butanamide; N-[2,2,2-Trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethyl]butanamide; CHEMBL1983391; ZINC1650017; STK690857; AKOS005602818; MCULE-6076003264; NSC-684836; NCI60_030490; Butanamide,1,1,3,3,3- hexafluoro-2-propyl]-; N-[2,2,2-Trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethyl]butanamide #; N-[2,2,2-Trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethyl]butyramide; N-{1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)amino]propan-2-yl}butanamide; N~1~-[2,2,2-trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethyl]butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684836	.	.	.	.	346.24	C13H13F7N2O	41.1	386	4.9	23	2	9	5	"InChI=1S/C13H13F7N2O/c1-2-3-10(23)22-11(12(15,16)17,13(18,19)20)21-9-6-4-8(14)5-7-9/h4-7,21H,2-3H2,1H3,(H,22,23)"	CCCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)F	KQJJIYWCYIVGAC-UHFFFAOYSA-N
DG57136	"3,3,3-Trifluoro-N-(2,2,2-trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethyl)-2-(trifluoromethyl)propanamide"	389154	"NSC684838; 3,3,3-Trifluoro-N-(2,2,2-trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethyl)-2-(trifluoromethyl)propanamide; 3,3,3-trifluoro-N-[2,2,2-trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethyl]-2-(trifluoromethyl)propanamide; CHEMBL1986764; AKOS003314510; NSC-684838; NCI60_030492; Propanamide,3,3-trifluoro-2-(trifluoromethyl)- N-[2-[(4-fluorophenyl)amino]-1,1,1,3,3,3- hexafluoro-2-propyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684838	.	.	.	.	454.19	C13H7F13N2O	41.1	541	6.3	29	2	15	4	"InChI=1S/C13H7F13N2O/c14-5-1-3-6(4-2-5)27-11(12(21,22)23,13(24,25)26)28-8(29)7(9(15,16)17)10(18,19)20/h1-4,7,27H,(H,28,29)"	C1=CC(=CC=C1NC(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F)F	GQRUPIFZDHHYIQ-UHFFFAOYSA-N
DG57137	"Ethyl 2-acetamido-3,3,3-trifluoro-2-(4-sulfamoylanilino)propanoate"	389159	"NSC684843; ethyl 2-(acetylamino)-2-[4-(aminosulfonyl)anilino]-3,3,3-trifluoropropanoate; Ethyl 2-(acetylamino)-2-(4-(aminosulfonyl)anilino)-3,3,3-trifluoropropanoate; MLS000700918; CHEMBL1312782; HMS2526P20; ethyl 2-acetamido-3,3,3-trifluoro-2-(4-sulfamoylanilino)propanoate; MCULE-7783414238; NSC-684843; NCI60_030497; SMR000230726; AG-389/33008062"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684843	.	.	.	.	383.35	C13H16F3N3O5S	136	597	1.7	25	3	10	7	"InChI=1S/C13H16F3N3O5S/c1-3-24-11(21)12(13(14,15)16,18-8(2)20)19-9-4-6-10(7-5-9)25(17,22)23/h4-7,19H,3H2,1-2H3,(H,18,20)(H2,17,22,23)"	CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C	GKZSWWHNNZBILW-UHFFFAOYSA-N
DG57138	"Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate"	389161	"NSC684845; CHEMBL1975217; CCG-46903; STL322770; AKOS022107460; ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate; MCULE-7942643785; NSC-684845; NCI60_030499; SR-01000636568-1; Ethyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate; Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate; Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate #; ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-fluorophenyl)amino]alaninate; 355155-92-9; Propanoic acid,3,3-trifluoro- 2-[(4-fluorophenyl)amino]-2-[[(ethoxy)carbonyl]amino]-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684845	.	.	.	.	352.28	C14H16F4N2O4	76.7	439	4	24	2	9	8	"InChI=1S/C14H16F4N2O4/c1-3-23-11(21)13(14(16,17)18,20-12(22)24-4-2)19-10-7-5-9(15)6-8-10/h5-8,19H,3-4H2,1-2H3,(H,20,22)"	CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)F)NC(=O)OCC	CCSFRRAOBXPBPN-UHFFFAOYSA-N
DG57139	"Ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate"	389162	"NSC684846; CHEMBL1985269; STK377713; AKOS003313982; MCULE-4384346320; NSC-684846; NCGC00288975-01; NCI60_030500; AB01283734-01; Ethyl 2-(3,4-difluoroanilino)-2-((ethoxycarbonyl)amino)-3,3,3-trifluoropropanoate; ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoro-propanoate; Ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate; Ethyl 2-(3,4-difluoroanilino)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate #; ethyl 2-[(3,4-difluorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate; 254900-70-4; Propanoic acid,3,3-trifluoro- 2-[(3,4-difluorophenyl)amino]-2-[[(ethoxy)carbonyl]amino]-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684846	.	.	.	.	370.27	C14H15F5N2O4	76.7	477	4.1	25	2	10	8	"InChI=1S/C14H15F5N2O4/c1-3-24-11(22)13(14(17,18)19,21-12(23)25-4-2)20-8-5-6-9(15)10(16)7-8/h5-7,20H,3-4H2,1-2H3,(H,21,23)"	CCOC(=O)C(C(F)(F)F)(NC1=CC(=C(C=C1)F)F)NC(=O)OCC	IBCXUZHHULLMJR-UHFFFAOYSA-N
DG57140	"Diethyl 2-({4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]anilino}methylene)malonate"	389166	"NSC684850; diethyl 2-({4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]anilino}methylene)malonate; Diethyl 2-((4-((5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino)anilino)methylene)malonate; CHEMBL1996370; CHEMBL3194797; HMS2552I09; AKOS003313759; MCULE-7607326691; NSC-684850; NCI60_030504; AG-389/33009001; SR-01000700939; SR-01000700939-2; diethyl 2-[[4-[(5-methyl-4,5-dihydrothiazol-2-yl)amino]anilino]methylene]propanedioate; Malonic acid,5-dihydro-5-methyl-2-thiazolyl) amino]phenyl]amino]methylene]-, diethyl ester; 1, 2-[[4-[[(4,5-dihydro-5-methyl-2-thiazolyl)amino]phenyl]amino]methylene]-, diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684850	.	.	.	.	377.5	C18H23N3O4S	114	537	3.5	26	2	7	10	"InChI=1S/C18H23N3O4S/c1-4-24-16(22)15(17(23)25-5-2)11-19-13-6-8-14(9-7-13)21-18-20-10-12(3)26-18/h6-9,11-12,19H,4-5,10H2,1-3H3,(H,20,21)"	CCOC(=O)C(=CNC1=CC=C(C=C1)NC2=NCC(S2)C)C(=O)OCC	IBDZMXGKNQLYAW-UHFFFAOYSA-N
DG57141	"Ethyl 2-benzamido-2-[4-chloro-2-(trifluoromethyl)anilino]-3,3,3-trifluoropropionate"	389171	"NSC684855; CHEMBL1989266; AKOS003314717; NSC-684855; NCI60_030509; Ethyl 2-(benzoylamino)-2-(4-chloro-2-(trifluoromethyl)anilino)-3,3,3-trifluoropropanoate; Ethyl 2-(benzoylamino)-2-[4-chloro-2-(trifluoromethyl)anilino]-3,3,3-trifluoropropanoate #; ethyl 2-benzamido-2-[4-chloro-2-(trifluoromethyl)anilino]-3,3,3-trifluoro-propanoate; Ethyl 2-benzamido-2-[4-chloro-2-(trifluoromethyl)anilino]-3,3,3-trifluoropropionate; Propanoic acid,3,3-trifluoro- 2-[[4-chloro-2-(trifluoromethyl)phenyl]amino]- 2-(benzoylamino)-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684855	.	.	.	.	468.8	C19H15ClF6N2O3	67.4	639	6.3	31	2	10	7	"InChI=1S/C19H15ClF6N2O3/c1-2-31-16(30)17(19(24,25)26,28-15(29)11-6-4-3-5-7-11)27-14-9-8-12(20)10-13(14)18(21,22)23/h3-10,27H,2H2,1H3,(H,28,29)"	CCOC(=O)C(C(F)(F)F)(NC1=C(C=C(C=C1)Cl)C(F)(F)F)NC(=O)C2=CC=CC=C2	UHHDHHUOSDWAES-UHFFFAOYSA-N
DG57142	1-((Acetyl-2-methoxyanilino)methyl)-5-oxoproline	389173	NSC684857; CHEMBL1991065; NSC-684857; NCI60_030511; 1-((Acetyl-2-methoxyanilino)methyl)-5-oxoproline; 1-[(N-acetyl-2-methoxy-anilino)methyl]-5-oxo-pyrrolidine-2-carboxylic acid; 1-[[Acetyl(2-methoxyphenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684857	.	.	.	.	306.31	C15H18N2O5	87.2	453	0.5	22	1	5	5	"InChI=1S/C15H18N2O5/c1-10(18)16(11-5-3-4-6-13(11)22-2)9-17-12(15(20)21)7-8-14(17)19/h3-6,12H,7-9H2,1-2H3,(H,20,21)"	CC(=O)N(CN1C(CCC1=O)C(=O)O)C2=CC=CC=C2OC	JLYRNWXXTGYBJT-UHFFFAOYSA-N
DG57143	methyl 1-[(N-acetylanilino)methyl]-5-oxo-pyrrolidine-2-carboxylate	389180	"NSC684864; CHEMBL1994762; NSC-684864; NCI60_030518; Proline, 1-[(acetylphenylamino)methyl]-5-oxo-, methyl ester; methyl 1-[(N-acetylanilino)methyl]-5-oxo-pyrrolidine-2-carboxylate; 1-[(Acetylphenylamino)methyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684864	.	.	.	.	290.31	C15H18N2O4	66.9	418	0.9	21	0	4	5	"InChI=1S/C15H18N2O4/c1-11(18)16(12-6-4-3-5-7-12)10-17-13(15(20)21-2)8-9-14(17)19/h3-7,13H,8-10H2,1-2H3"	CC(=O)N(CN1C(CCC1=O)C(=O)OC)C2=CC=CC=C2	PFAPDFVWLGLMIL-UHFFFAOYSA-N
DG57144	"1-[[Acetyl(2,5-dimethoxyphenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid 2-ethoxyethyl ester"	389184	"NSC684868; CHEMBL1984808; NSC-684868; NCI60_030522; 2-ethoxyethyl 1-[(N-acetyl-2,5-dimethoxy-anilino)methyl]-5-oxo-pyrrolidine-2-carboxylate; Proline, 1-[[acetyl(2,5-dimethoxyphenyl)amino]methyl]-5-oxo-, 2-ethoxyethyl ester; 1-[[Acetyl(2,5-dimethoxyphenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid 2-ethoxyethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684868	.	.	.	.	408.4	C20H28N2O7	94.6	571	1.1	29	0	7	11	"InChI=1S/C20H28N2O7/c1-5-28-10-11-29-20(25)16-7-9-19(24)22(16)13-21(14(2)23)17-12-15(26-3)6-8-18(17)27-4/h6,8,12,16H,5,7,9-11,13H2,1-4H3"	CCOCCOC(=O)C1CCC(=O)N1CN(C2=C(C=CC(=C2)OC)OC)C(=O)C	MTIZIENTPWKXLU-UHFFFAOYSA-N
DG57145	N-Methyl-1-[(acetylphenylamino)methyl]-5-oxopyrrolidine-2-carboxamide	389185	"NSC684869; CHEMBL1999777; NSC-684869; NCI60_030523; 1-[(N-acetylanilino)methyl]-N-methyl-5-oxo-pyrrolidine-2-carboxamide; 2-Pyrrolidinecarboxamide, 1-[(acetylphenylamino)methyl]-N-methyl-5-oxo-; N-Methyl-1-[(acetylphenylamino)methyl]-5-oxopyrrolidine-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684869	.	.	.	.	289.33	C15H19N3O3	69.7	418	0.3	21	1	3	4	"InChI=1S/C15H19N3O3/c1-11(19)17(12-6-4-3-5-7-12)10-18-13(15(21)16-2)8-9-14(18)20/h3-7,13H,8-10H2,1-2H3,(H,16,21)"	CC(=O)N(CN1C(CCC1=O)C(=O)NC)C2=CC=CC=C2	FHXMPJHPBMAALP-UHFFFAOYSA-N
DG57146	N-[(2-methoxy-5-oxo-pyrrolidin-1-yl)methyl]-N-(p-tolyl)acetamide	389188	"NSC684872; CHEMBL1996973; NSC-684872; NCI60_030526; N-[(2-methoxy-5-oxo-pyrrolidin-1-yl)methyl]-N-(p-tolyl)acetamide; Acetamide, N-[(2-methoxy-5-oxo-1-pyrrolidinyl)methyl]-N-(4-methylphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684872	.	.	.	.	276.33	C15H20N2O3	49.8	364	1.3	20	0	3	4	"InChI=1S/C15H20N2O3/c1-11-4-6-13(7-5-11)16(12(2)18)10-17-14(19)8-9-15(17)20-3/h4-7,15H,8-10H2,1-3H3"	CC1=CC=C(C=C1)N(CN2C(CCC2=O)OC)C(=O)C	IRHWDGHALBKZCX-UHFFFAOYSA-N
DG57147	"6-Acetyl-1,2,5,10b-tetrahydropyrrolo[1,2-c]quinazolin-3-one"	389190	"NSC684874; CHEMBL1982533; 6-acetyl-1,2,5,10b-tetrahydropyrrolo[1,2-c]quinazolin-3-one; 6-Acetyl-1,5,6,10b-tetrahydropyrrolo[1,2-c]quinazolin-3(2H)-one; NSC-684874; NCI60_030528; 6-Acetyl-1,2,3,5,6,10b-hexahydropyrrolo[1,2-c]quinazoline-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684874	.	.	.	.	230.26	C13H14N2O2	40.6	355	0.5	17	0	2	0	"InChI=1S/C13H14N2O2/c1-9(16)14-8-15-12(6-7-13(15)17)10-4-2-3-5-11(10)14/h2-5,12H,6-8H2,1H3"	CC(=O)N1CN2C(CCC2=O)C3=CC=CC=C31	YNYVLIDIBWYRMS-UHFFFAOYSA-N
DG57148	NSC684903	389207	"2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide; NSC684903; CHEMBL1967464; NSC-684903; NCI60_030536"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684903	.	.	.	.	1283.4	C62H82N12O18	390	3210	1.9	92	5	20	8	"InChI=1S/C62H82N12O18/c1-25(2)42-59(86)73-21-33(75)19-36(73)57(84)69(13)23-38(77)71(15)48(27(5)6)61(88)90-31(11)44(55(82)65-42)67-53(80)35-18-17-29(9)51-46(35)64-47-40(41(63)50(79)30(10)52(47)92-51)54(81)68-45-32(12)91-62(89)49(28(7)8)72(16)39(78)24-70(14)58(85)37-20-34(76)22-74(37)60(87)43(26(3)4)66-56(45)83/h17-18,25-28,31-32,36-37,42-45,48-49H,19-24,63H2,1-16H3,(H,65,82)(H,66,83)(H,67,80)(H,68,81)"	CC1C(C(=O)NC(C(=O)N2CC(=O)CC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CC(=O)CN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C	YIZWQZWOZWUCAF-UHFFFAOYSA-N
DG57149	NSC684904	389208	"2-amino-1-N,9-N-bis[18-hydroxy-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide; NSC684904; CHEMBL2002485; NSC-684904; NCI60_030537"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684904	.	.	.	.	1287.4	C62H86N12O18	396	3110	1.8	92	7	20	8	"InChI=1S/C62H86N12O18/c1-25(2)42-59(86)73-21-33(75)19-36(73)57(84)69(13)23-38(77)71(15)48(27(5)6)61(88)90-31(11)44(55(82)65-42)67-53(80)35-18-17-29(9)51-46(35)64-47-40(41(63)50(79)30(10)52(47)92-51)54(81)68-45-32(12)91-62(89)49(28(7)8)72(16)39(78)24-70(14)58(85)37-20-34(76)22-74(37)60(87)43(26(3)4)66-56(45)83/h17-18,25-28,31-34,36-37,42-45,48-49,75-76H,19-24,63H2,1-16H3,(H,65,82)(H,66,83)(H,67,80)(H,68,81)"	CC1C(C(=O)NC(C(=O)N2CC(CC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)O)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CC(CN7C(=O)C(NC6=O)C(C)C)O)C)C)C(C)C)C)N)C	QCMODBTXTMOEPO-UHFFFAOYSA-N
DG57150	3-(1H-benzimidazol-2-yl)chromen-2-imine	389220	"NSC684973; 3-(1H-Benzimidazol-2-yl)-2H-chromen-2-imine; 3-(1H-benzimidazol-2-yl)chromen-2-imine; Oprea1_545105; CHEMBL2003415; ZINC4721566; STK027543; 3-(2-benzimidazolyl)-2-iminochromene; AKOS022085637; MCULE-6709889009; NSC-684973; NCI60_030554; 3-(1H-1,3-benzodiazol-2-yl)-2H-chromen-2-imine; 3-(1H-Benzimidazole-2-yl)-2H-1-benzopyran-2-imine; F6782-3493; 80860-16-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684973	.	.	.	.	261.279	C16H11N3O	61.8	433	3.2	20	2	3	1	"InChI=1S/C16H11N3O/c17-15-11(9-10-5-1-4-8-14(10)20-15)16-18-12-6-2-3-7-13(12)19-16/h1-9,17H,(H,18,19)"	C1=CC=C2C(=C1)C=C(C(=N)O2)C3=NC4=CC=CC=C4N3	FNEFMQFIPIXXNV-UHFFFAOYSA-N
DG57151	2-[4-(3-Oxobenzo[f]chromen-2-yl)thiazol-2-yl]acetonitrile	389227	"NSC684980; Oprea1_649875; Oprea1_664894; CHEMBL1988583; NSC-684980; NCI60_030561; SR-01000390226; SR-01000390226-1; 2-[4-(3-oxobenzo[f]chromen-2-yl)thiazol-2-yl]acetonitrile; (4-(3-Oxo-3H-benzo[f]chromen-2-yl)-1,3-thiazol-2-yl)acetonitrile; 4-(3-Oxo-3H-naphtho[2,1-b]pyran-2-yl)thiazole-2-acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684980	.	.	.	.	318.4	C18H10N2O2S	91.2	567	3.6	23	0	5	2	"InChI=1S/C18H10N2O2S/c19-8-7-17-20-15(10-23-17)14-9-13-12-4-2-1-3-11(12)5-6-16(13)22-18(14)21/h1-6,9-10H,7H2"	C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=CSC(=N4)CC#N	DXBYMNAELHZSJX-UHFFFAOYSA-N
DG57152	"3-(2-Methyl-1,3-thiazol-4-yl)-2H-chromen-2-one"	389233	"3-(2-Methyl-1,3-thiazol-4-yl)-2H-chromen-2-one; NSC684986; 106578-02-3; 3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one; Oprea1_187857; Oprea1_286224; CHEMBL1971741; ZINC187170; STK012642; AKOS000596850; CCG-313868; MCULE-2435173360; NSC-684986; 3-(2-methylthiazol-4-yl)chromen-2-one; NCI60_030567; 3-(2-Methylthiazol-4-yl)-2H-chromen-2-one; SR-01000396803; SR-01000396803-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684986	.	.	.	.	243.28	C13H9NO2S	67.4	355	3	17	0	4	1	"InChI=1S/C13H9NO2S/c1-8-14-11(7-17-8)10-6-9-4-2-3-5-12(9)16-13(10)15/h2-7H,1H3"	CC1=NC(=CS1)C2=CC3=CC=CC=C3OC2=O	XVGKZNSQFDIWRA-UHFFFAOYSA-N
DG57153	"7-(Diethylamino)-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one"	389235	"NSC684988; 7-(Diethylamino)-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one; CBMicro_045675; Oprea1_218600; Oprea1_402427; CHEMBL1974111; HMS1769C05; ZINC175253; STK805570; AKOS000519738; MCULE-3264501118; NSC-684988; NCI60_030569; BIM-0045596.P001; EU-0067114; 3-(2-Methyl-4-thiazolyl)-7-(diethylamino)coumarin; Z56758290; 7-(diethylamino)-3-(2-methylthiazol-4-yl)chromen-2-one; 190436-78-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684988	.	.	.	.	314.4	C17H18N2O2S	70.7	450	3.9	22	0	5	4	"InChI=1S/C17H18N2O2S/c1-4-19(5-2)13-7-6-12-8-14(15-10-22-11(3)18-15)17(20)21-16(12)9-13/h6-10H,4-5H2,1-3H3"	CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CSC(=N3)C	GOYGMLRWQGILHI-UHFFFAOYSA-N
DG57154	"3-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one"	389237	"NSC684990; 3-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one; Oprea1_277466; CHEMBL1990247; ZINC174984; STK805705; AKOS001485349; MCULE-8524189278; NSC-684990; NCI60_030571; EU-0066884; 3-(2-methylthiazol-4-yl)-6-nitro-chromen-2-one; SR-01000405911; SR-01000405911-1; F0037-2609; 6-(Hydroxy(oxido)amino)-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one; 313497-22-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684990	.	.	.	.	288.28	C13H8N2O4S	113	462	2.8	20	0	6	1	"InChI=1S/C13H8N2O4S/c1-7-14-11(6-20-7)10-5-8-4-9(15(17)18)2-3-12(8)19-13(10)16/h2-6H,1H3"	CC1=NC(=CS1)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O	GLWXFKNNQNFRQB-UHFFFAOYSA-N
DG57155	"6-nitro-3-(2-phenyl-1,3-thiazol-4-yl)-2H-chromen-2-one"	389239	"NSC684992; 6-nitro-3-(2-phenyl-1,3-thiazol-4-yl)-2H-chromen-2-one; 313497-21-1; Oprea1_469632; CHEMBL1985500; ZINC1310693; STK526942; AKOS001063978; CCG-354510; MCULE-5304587297; NSC-684992; NCI60_030573; 6-nitro-3-(2-phenylthiazol-4-yl)chromen-2-one; Z55857983; 6-(Hydroxy(oxido)amino)-3-(2-phenyl-1,3-thiazol-4-yl)-2H-chromen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684992	.	.	.	.	350.3	C18H10N2O4S	113	570	4.1	25	0	6	2	InChI=1S/C18H10N2O4S/c21-18-14(9-12-8-13(20(22)23)6-7-16(12)24-18)15-10-25-17(19-15)11-4-2-1-3-5-11/h1-10H	C1=CC=C(C=C1)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O	OMVRLLONIMTCRK-UHFFFAOYSA-N
DG57156	2-imino-6-methoxy-N-phenyl-chromene-3-carboxamide	389249	NSC685002; BAS 01020699; Oprea1_041252; Oprea1_782557; MLS000077254; CHEMBL1370166; 2-Imino-6-methoxy-2H-chromene-3-carboxylic acid phenylamide; HMS2287J22; ZINC3957220; STL321889; AKOS000512166; CCG-276109; MCULE-6854714911; NSC-685002; NCI60_030583; SMR000009807; 2-imino-6-methoxy-N-phenyl-chromene-3-carboxamide; SR-01000359160; SR-01000359160-1; 2-imino-6-methoxy-N-phenyl-2H-chromene-3-carboxamide; 6-methoxy-2-imino-2H-[1]benzopyran-3-(N-phenyl) carboxamide; 333773-86-7	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685002	.	.	.	.	294.3	C17H14N2O3	71.4	469	3	22	2	4	3	"InChI=1S/C17H14N2O3/c1-21-13-7-8-15-11(9-13)10-14(16(18)22-15)17(20)19-12-5-3-2-4-6-12/h2-10,18H,1H3,(H,19,20)"	COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=O)NC3=CC=CC=C3	ZLTVBZSWAFBFSE-UHFFFAOYSA-N
DG57157	6-chloro-2-imino-N-phenyl-chromene-3-carboxamide	389250	NSC685003; Oprea1_092554; CHEMBL1964747; STL135827; ZINC31871545; AKOS005745985; MCULE-9776629649; NSC-685003; NCI60_030584; 6-chloro-2-imino-N-phenyl-chromene-3-carboxamide; 6-chloro-2-imino-N-phenyl-2H-chromene-3-carboxamide; 6-chloro-2-imino-2H-[1]benzopyran-3-(N-phenyl) carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685003	.	.	.	.	298.72	C16H11ClN2O2	62.2	457	3.7	21	2	3	2	"InChI=1S/C16H11ClN2O2/c17-11-6-7-14-10(8-11)9-13(15(18)21-14)16(20)19-12-4-2-1-3-5-12/h1-9,18H,(H,19,20)"	C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=N	ORUVNCNNXWPLIQ-UHFFFAOYSA-N
DG57158	N-Benzyl-7-(diethylamino)-2-imino-2H-chromene-3-carboxamide	389252	NSC685005; N-Benzyl-7-(diethylamino)-2-imino-2H-chromene-3-carboxamide; Oprea1_220880; CHEMBL1967266; ZINC4645950; STK492811; AKOS003288273; MCULE-2423261960; NSC-685005; NCI60_030586; N-benzyl-7-(diethylamino)-2-imino-chromene-3-carboxamide; N-Benzyl-2-imino-7-(diethylamino)-2H-1-benzopyran-3-carboxamide; N~3~-benzyl-7-(diethylamino)-2-imino-2H-chromene-3-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685005	.	.	.	.	349.4	C21H23N3O2	65.4	535	3.8	26	2	4	6	"InChI=1S/C21H23N3O2/c1-3-24(4-2)17-11-10-16-12-18(20(22)26-19(16)13-17)21(25)23-14-15-8-6-5-7-9-15/h5-13,22H,3-4,14H2,1-2H3,(H,23,25)"	CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)NCC3=CC=CC=C3	MNFDHIMZDCZTPV-UHFFFAOYSA-N
DG57159	NSC685014	389261	"9-[2-(2,5-Dimethylpyrrol-1-yl)phenyl]-7-hydroxy-5,6-di(propan-2-yloxy)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one; NSC685014; 188825-09-4; 9-[2-(2,5-Dimethylpyrrol-1-yl)phenyl]-7-hydroxy-5,6-di(propan-2-yloxy)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one; CHEMBL1993954; NSC-685014; NCI60_030594; [2-(2,5-dimethylpyrrol-1-yl)phenyl]-hydroxy-diisopropoxy-[ ]one; 6-(2-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl)-7-hydroxy-8,9-diisopropoxy-6H-[1,3]oxazolo[5,4,3-ij]quinolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685014	.	.	.	.	474.5	C28H30N2O5	73.2	792	5.6	35	1	5	6	"InChI=1S/C28H30N2O5/c1-15(2)33-26-24(31)22-20(19-9-7-8-10-21(19)30-17(5)11-12-18(30)6)13-14-29-23(22)25(35-28(29)32)27(26)34-16(3)4/h7-16,20,31H,1-6H3"	CC1=CC=C(N1C2=CC=CC=C2C3C=CN4C5=C3C(=C(C(=C5OC4=O)OC(C)C)OC(C)C)O)C	UGEGFQOQXXVKQD-UHFFFAOYSA-N
DG57160	"3-Isopropoxy-4-(2-isopropoxy-3,4-dioxo-cyclobuten-1-yl)cyclobut-3-ene-1,2-dione"	389266	"NSC685019; CHEMBL1987133; NSC-685019; NCI60_030599; 2,2'-Diisopropoxy-1,1'-bi[1-cyclobutene]-3,3',4,4'-tetrone; [Bi-1-cyclobuten-1-yl]-3,3',4,4'-tetrone, 2,2'-bis(1-methylethoxy)-; 3-isopropoxy-4-(2-isopropoxy-3,4-dioxo-cyclobuten-1-yl)cyclobut-3-ene-1,2-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685019	.	.	.	.	278.26	C14H14O6	86.7	549	0.8	20	0	6	5	"InChI=1S/C14H14O6/c1-5(2)19-13-7(9(15)11(13)17)8-10(16)12(18)14(8)20-6(3)4/h5-6H,1-4H3"	CC(C)OC1=C(C(=O)C1=O)C2=C(C(=O)C2=O)OC(C)C	DWRQWMINOCNLCA-UHFFFAOYSA-N
DG57161	"[7-(Diethylamino)-6-(2-isopropoxy-3,4-dioxo-cyclobuten-1-yl)-5-oxo-thiazolo[3,2-a]pyridin-8-yl] acetate"	389268	"NSC685021; CHEMBL2006921; NSC-685021; NCI60_030601; [7-(diethylamino)-6-(2-isopropoxy-3,4-dioxo-cyclobuten-1-yl)-5-oxo-thiazolo[3,2-a]pyridin-8-yl] acetate; 7-(Diethylamino)-6-(2-isopropoxy-3,4-dioxo-1-cyclobuten-1-yl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyridin-8-yl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685021	.	.	.	.	418.5	C20H22N2O6S	119	937	1.2	29	0	8	8	"InChI=1S/C20H22N2O6S/c1-6-21(7-2)14-12(13-15(24)16(25)17(13)27-10(3)4)19(26)22-8-9-29-20(22)18(14)28-11(5)23/h8-10H,6-7H2,1-5H3"	CCN(CC)C1=C(C(=O)N2C=CSC2=C1OC(=O)C)C3=C(C(=O)C3=O)OC(C)C	USRZGXYENHQLLI-UHFFFAOYSA-N
DG57162	"3-(Benzylamino)-4-(2-methoxybenzoyl)cyclobut-3-ene-1,2-dione"	389269	"NSC685022; CHEMBL1976794; 3-(benzylamino)-4-(2-methoxybenzoyl)cyclobut-3-ene-1,2-dione; NSC-685022; NCI60_030602; 3-(Benzylamino)-4-(2-methoxybenzoyl)-3-cyclobutene-1,2-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685022	.	.	.	.	321.3	C19H15NO4	72.5	560	3.3	24	1	5	6	"InChI=1S/C19H15NO4/c1-24-14-10-6-5-9-13(14)17(21)15-16(19(23)18(15)22)20-11-12-7-3-2-4-8-12/h2-10,20H,11H2,1H3"	COC1=CC=CC=C1C(=O)C2=C(C(=O)C2=O)NCC3=CC=CC=C3	INLBMJFEKAXFFB-UHFFFAOYSA-N
DG57163	[5-Benzoyl-1-(dimethylamino)-4-hydroxy-6-(1-piperidyl)indol-7-yl] acetate	389280	NSC685033; CHEMBL1973113; NSC-685033; NCI60_030613; [5-benzoyl-1-(dimethylamino)-4-hydroxy-6-(1-piperidyl)indol-7-yl] acetate; 5-Benzoyl-1-(dimethylamino)-4-hydroxy-6-(1-piperidinyl)-1H-indol-7-yl acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685033	.	.	.	.	421.5	C24H27N3O4	75	645	4.8	31	1	6	6	"InChI=1S/C24H27N3O4/c1-16(28)31-24-20-18(12-15-27(20)25(2)3)23(30)19(21(24)26-13-8-5-9-14-26)22(29)17-10-6-4-7-11-17/h4,6-7,10-12,15,30H,5,8-9,13-14H2,1-3H3"	CC(=O)OC1=C(C(=C(C2=C1N(C=C2)N(C)C)O)C(=O)C3=CC=CC=C3)N4CCCCC4	OHKILEIVRQBSHW-UHFFFAOYSA-N
DG57164	"2-Methyl-4-methoxy-5-piperidino-6H-furo[2,3-c]xanthen-6-one"	389281	"NSC685034; CHEMBL1970255; NSC-685034; NCI60_030614; 2-Methyl-4-methoxy-5-piperidino-6H-furo[2,3-c]xanthen-6-one; 4-methoxy-2-methyl-5-(1-piperidyl)furo[2,3-c]xanthen-6-one; 4-Methoxy-2-methyl-5-(1-piperidinyl)-6H-furo[2,3-c]xanthen-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685034	.	.	.	.	363.4	C22H21NO4	51.9	563	4.7	27	0	5	2	"InChI=1S/C22H21NO4/c1-13-12-15-20-17(19(24)14-8-4-5-9-16(14)27-20)18(22(25-2)21(15)26-13)23-10-6-3-7-11-23/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3"	CC1=CC2=C3C(=C(C(=C2O1)OC)N4CCCCC4)C(=O)C5=CC=CC=C5O3	ZVBXPTZCLHOWTR-UHFFFAOYSA-N
DG57165	N4-Octadecylcytarabine	389286	N4-Octadecylcytarabine; NSC685096; NSC 685096; NOAC; N(sup 4)-octadecyl-ara-C; CHEMBL1981117; CCG-35926; NSC-685096; NCI60_030619; 1-(.beta.-D-Arabinofuranosyl)-4-octadecylamino-2(1H)-pyrimidone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685096	.	.	.	.	495.7	C27H49N3O5	115	642	7.1	35	4	5	20	"InChI=1S/C27H49N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-23-18-20-30(27(34)29-23)26-25(33)24(32)22(21-31)35-26/h18,20,22,24-26,31-33H,2-17,19,21H2,1H3,(H,28,29,34)"	CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O	HQHQCEKUGWOYPS-UHFFFAOYSA-N
DG57166	"Methyl 4-(2-(4-bromo-3,6-dioxo-1,4-cyclohexadien-1-yl)ethyl)benzoate"	389287	"NSC685105; CHEMBL1977787; ZINC1650090; NSC-685105; NCI60_030620; Methyl 4-[2-[4-bromo-3,4-cyclohexadienyl]ethyl]-benzoate; Methyl 4-(2-(4-bromo-3,6-dioxo-1,4-cyclohexadien-1-yl)ethyl)benzoate; methyl 4-[2-(4-bromo-3,6-dioxo-cyclohexa-1,4-dien-1-yl)ethyl]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685105	.	.	.	.	349.17	C16H13BrO4	60.4	510	3	21	0	4	5	"InChI=1S/C16H13BrO4/c1-21-16(20)11-5-2-10(3-6-11)4-7-12-8-15(19)13(17)9-14(12)18/h2-3,5-6,8-9H,4,7H2,1H3"	COC(=O)C1=CC=C(C=C1)CCC2=CC(=O)C(=CC2=O)Br	PDYFADHVQVCWHT-UHFFFAOYSA-N
DG57167	"Isopropyl 4-(2-(4-bromo-2,5-dihydroxyphenyl)ethyl)benzoate"	389288	"NSC685106; Isopropyl 4-(2-(4-bromo-2,5-dihydroxyphenyl)ethyl)benzoate; Isopropyl 4-[2-[4-bromo-2,5-dihydroxyphenyl]ethyl]benzoate; CHEMBL1997817; ZINC1650091; NSC-685106; NCI60_030621; isopropyl 4-[2-(4-bromo-2,5-dihydroxy-phenyl)ethyl]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685106	.	.	.	.	379.2	C18H19BrO4	66.8	379	4.8	23	2	4	6	"InChI=1S/C18H19BrO4/c1-11(2)23-18(22)13-6-3-12(4-7-13)5-8-14-9-17(21)15(19)10-16(14)20/h3-4,6-7,9-11,20-21H,5,8H2,1-2H3"	CC(C)OC(=O)C1=CC=C(C=C1)CCC2=CC(=C(C=C2O)Br)O	GFVHZJCQHKYGMC-UHFFFAOYSA-N
DG57168	"Isopropyl 4-(2-(4-bromo-3,6-dioxo-1,4-cyclohexadien-1-yl)ethyl)benzoate"	389289	"NSC685107; CHEMBL1996375; ZINC1650092; NSC-685107; NCI60_030622; Isopropyl 4-[2-[4-bromo-3,4-cyclohexadienyl]ethyl]benzoate; Isopropyl 4-(2-(4-bromo-3,6-dioxo-1,4-cyclohexadien-1-yl)ethyl)benzoate; isopropyl 4-[2-(4-bromo-3,6-dioxo-cyclohexa-1,4-dien-1-yl)ethyl]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685107	.	.	.	.	377.2	C18H17BrO4	60.4	551	3.8	23	0	4	6	"InChI=1S/C18H17BrO4/c1-11(2)23-18(22)13-6-3-12(4-7-13)5-8-14-9-17(21)15(19)10-16(14)20/h3-4,6-7,9-11H,5,8H2,1-2H3"	CC(C)OC(=O)C1=CC=C(C=C1)CCC2=CC(=O)C(=CC2=O)Br	ZFNBSVGEBQKXEG-UHFFFAOYSA-N
DG57169	"5-Amino-2-[2-(1,3-dioxoisoindolin-2-yl)ethyl]oxazole-4-carbonitrile"	389298	"NSC685118; CHEMBL1986417; NSC-685118; NCI60_030631; 5-amino-2-[2-(1,3-dioxoisoindolin-2-yl)ethyl]oxazole-4-carbonitrile; 5-Amino-2-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl)-1,3-oxazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685118	.	.	.	.	282.25	C14H10N4O3	113	476	1.6	21	1	6	3	"InChI=1S/C14H10N4O3/c15-7-10-12(16)21-11(17-10)5-6-18-13(19)8-3-1-2-4-9(8)14(18)20/h1-4H,5-6,16H2"	C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NC(=C(O3)N)C#N	ABGPKENFJQRORB-UHFFFAOYSA-N
DG57170	"5-Amino-2-[5-(1,3-dioxoisoindolin-2-yl)pentyl]oxazole-4-carbonitrile"	389301	"NSC685121; CHEMBL1965096; NSC-685121; NCI60_030634; 5-amino-2-[5-(1,3-dioxoisoindolin-2-yl)pentyl]oxazole-4-carbonitrile; 5-Amino-2-(5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentyl)-1,3-oxazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685121	.	.	.	.	324.33	C17H16N4O3	113	519	2.6	24	1	6	6	"InChI=1S/C17H16N4O3/c18-10-13-15(19)24-14(20-13)8-2-1-5-9-21-16(22)11-6-3-4-7-12(11)17(21)23/h3-4,6-7H,1-2,5,8-9,19H2"	C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC3=NC(=C(O3)N)C#N	NFVBJVZDEJDHDC-UHFFFAOYSA-N
DG57171	3-Chloromethyl-6-hydroxyamino-1-(methanesulfonyl)indoline	389321	"NSC685230; CHEMBL1964499; NSC-685230; NCI60_030644; 1H-Indol-6-amine,3-dihydro-N-hydroxy-1-(methylsulfonyl)-; 3-Chloromethyl-6-hydroxyamino-1-(methanesulfonyl)indoline; 3-(Chloromethyl)-6-(hydroxyamino)-1-(methylsulfonyl)indoline; N-[3-(chloromethyl)-1-methylsulfonyl-indolin-6-yl]hydroxylamine; N-(3-(Chloromethyl)-1-(methylsulfonyl)-2,3-dihydro-1H-indol-6-yl)hydroxylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685230	.	.	.	.	276.74	C10H13ClN2O3S	78	370	1	17	2	5	3	"InChI=1S/C10H13ClN2O3S/c1-17(15,16)13-6-7(5-11)9-3-2-8(12-14)4-10(9)13/h2-4,7,12,14H,5-6H2,1H3"	CS(=O)(=O)N1CC(C2=C1C=C(C=C2)NO)CCl	JTLYVUXXQOYWRR-UHFFFAOYSA-N
DG57172	"2-N,3-N-bis(4-methoxyphenyl)butane-2,3-diimine"	389336	"NSC685285; 2-N,3-N-bis(4-methoxyphenyl)butane-2,3-diimine; Benzenamine, N,N'-(1,2-dimethyl-1,2-ethanediylidene)bis[4-methoxy-; 19215-52-2; CHEMBL608409; SCHEMBL4334877; SCHEMBL4334880; CHEMBL1971586; SCHEMBL10656959; ZINC15230315; ZINC100071260; ZINC104316582; NSC-685285; N,N'-Bis(p-anisyl)-2,3-butanediimine; NCI60_030671; N2,N3-bis(4-methoxyphenyl)butane-2,3-diimine; 1,4-di(p-methoxyphenyl)-2,3-dimethyl-1,4-diazabutadiene; 2,3-Dimethyl-1,4-di-(p-methoxiphenyl)-1,4-diaza-1,3-butadiene; 4-Methoxy-N-(2-((4-methoxyphenyl)imino)-1-methylpropylidene)aniline; Benzenamine, N,N'-(1,2-dimethyl-1,2-ethanediylidene)bis*4-methoxy-; 4-Methoxy-N-((E,2E)-2-[(4-methoxyphenyl)imino]-1-methylpropylidene)aniline #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685285	.	.	.	.	296.4	C18H20N2O2	43.2	352	3.2	22	0	4	5	"InChI=1S/C18H20N2O2/c1-13(19-15-5-9-17(21-3)10-6-15)14(2)20-16-7-11-18(22-4)12-8-16/h5-12H,1-4H3"	CC(=NC1=CC=C(C=C1)OC)C(=NC2=CC=C(C=C2)OC)C	LMEYMDPIGMZWSV-UHFFFAOYSA-N
DG57173	5-Amino-2-vinyl-oxazole-4-carbonitrile	389345	"NSC685298; CHEMBL1994090; NSC-685298; 5-amino-2-vinyl-oxazole-4-carbonitrile; NCI60_030680; 5-Amino-2-vinyl-1,3-oxazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685298	.	.	.	.	135.12	C6H5N3O	75.8	183	1.4	10	1	4	1	"InChI=1S/C6H5N3O/c1-2-5-9-4(3-7)6(8)10-5/h2H,1,8H2"	C=CC1=NC(=C(O1)N)C#N	MUCVMTGUEHCCHA-UHFFFAOYSA-N
DG57174	NSC685301	389348	"5-amino-2-[(3R)-3-[(3S,8R,9S,10S,12R,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-1,3-oxazole-4-carbonitrile; NSC685301; CHEMBL2003317; NSC-685301; NCI60_030683; 24-Norcholan-3, 23-(5-amino-4-cyano-2-oxazolyl)-, (3.beta.,12.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685301	.	.	.	.	455.6	C27H41N3O3	116	784	6.1	33	3	6	4	"InChI=1S/C27H41N3O3/c1-15(4-9-24-30-22(14-28)25(29)33-24)19-7-8-20-18-6-5-16-12-17(31)10-11-26(16,2)21(18)13-23(32)27(19,20)3/h15-21,23,31-32H,4-13,29H2,1-3H3/t15-,16 ,17+,18+,19-,20+,21+,23-,26+,27-/m1/s1"	C[C@H](CCC1=NC(=C(O1)N)C#N)[C@H]2CC[C@@H]3[C@@]2([C@@H](C[C@H]4[C@H]3CCC5[C@@]4(CC[C@@H](C5)O)C)O)C	PEOWSKIBKZKDAY-HEIVMAJXSA-N
DG57175	"5-[3-(Benzyloxy)-4-methoxybenzylidene]pyrimidine-2,4,6(1h,3h,5h)-trione"	389351	"NSC685354; SCHEMBL13044231; PQVOKQCBWATCGD-UHFFFAOYSA-; ZINC1188758; 5-[3-(benzyloxy)-4-methoxybenzylidene]pyrimidine-2,4,6(1h,3h,5h)-trione; MCULE-2573763273; NSC-685354; NCI60_030686; 5-(3'-Benzyloxy-4'-methoxy)benzylidenebarbituric Acid; 5-(3-(Benzyloxy)-4-methoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-[(3-benzyloxy-4-methoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685354	.	.	.	.	352.3	C19H16N2O5	93.7	561	2.2	26	2	5	5	"InChI=1S/C19H16N2O5/c1-25-15-8-7-13(9-14-17(22)20-19(24)21-18(14)23)10-16(15)26-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,20,21,22,23,24)"	COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)NC2=O)OCC3=CC=CC=C3	PQVOKQCBWATCGD-UHFFFAOYSA-N
DG57176	"Tert-butyl 4-[(2-bromo-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methylamino]benzoate"	389360	"NSC685405; CHEMBL2006572; ZINC1650143; NSC-685405; NCI60_030696; Benzoic acid,6-dioxo-1,4-cyclohexadienyl)-methyl]amino]-, tert-butyl ester; tert-Butyl 4-(((2-bromo-3,6-dioxo-1,4-cyclohexadien-1-yl)methyl)amino)benzoate; tert-butyl 4-[(2-bromo-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methylamino]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685405	.	.	.	.	392.2	C18H18BrNO4	72.5	593	3.3	24	1	5	6	"InChI=1S/C18H18BrNO4/c1-18(2,3)24-17(23)11-4-6-12(7-5-11)20-10-13-14(21)8-9-15(22)16(13)19/h4-9,20H,10H2,1-3H3"	CC(C)(C)OC(=O)C1=CC=C(C=C1)NCC2=C(C(=O)C=CC2=O)Br	IKXATUBKZNLNKH-UHFFFAOYSA-N
DG57177	N-(1-adamantyl)-6-amino-purine-9-carboxamide	389362	NSC685407; CHEMBL1989252; NSC-685407; NCI60_030698; N-(1-adamantyl)-6-amino-purine-9-carboxamide; N-(1-Adamantyl)-6-amino-9H-purine-9-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685407	.	.	.	.	312.37	C16H20N6O	98.7	470	2.4	23	2	5	1	"InChI=1S/C16H20N6O/c17-13-12-14(19-7-18-13)22(8-20-12)15(23)21-16-4-9-1-10(5-16)3-11(2-9)6-16/h7-11H,1-6H2,(H,21,23)(H2,17,18,19)"	C1C2CC3CC1CC(C2)(C3)NC(=O)N4C=NC5=C(N=CN=C54)N	KMMRHEDXVKAPHE-UHFFFAOYSA-N
DG57178	"3,4-Bis(4-chlorophenyl)-6H-1,2,5-oxadiazine"	389370	"NSC685416; 3,4-Bis(4-chlorophenyl)-6H-1,2,5-oxadiazine; CHEMBL1993445; ZINC1650149; NSC-685416; NCI60_030707"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685416	.	.	.	.	305.2	C15H10Cl2N2O	34	395	4.3	20	0	3	2	"InChI=1S/C15H10Cl2N2O/c16-12-5-1-10(2-6-12)14-15(19-20-9-18-14)11-3-7-13(17)8-4-11/h1-8H,9H2"	C1N=C(C(=NO1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl	NTLPPBYJSBMZMV-UHFFFAOYSA-N
DG57179	"9-(5-nitro-2-pyridyl)-3H-purine-2,6-dione"	389377	"NSC685424; CHEMBL1964296; NSC-685424; NCI60_030715; 9-(5-nitro-2-pyridyl)-3H-purine-2,6-dione; 2,6-Dihydroxy-9-(5'-nitropyridine)-9h-purine; 9-(5-Nitro-pyridin-2-yl)-3,9-dihydro-purine-2,6-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685424	.	.	.	.	274.19	C10H6N6O4	135	452	0	20	2	6	1	"InChI=1S/C10H6N6O4/c17-9-7-8(13-10(18)14-9)15(4-12-7)6-2-1-5(3-11-6)16(19)20/h1-4H,(H2,13,14,17,18)"	C1=CC(=NC=C1[N+](=O)[O-])N2C=NC3=C2NC(=O)NC3=O	NSCZQPPXOQBCGP-UHFFFAOYSA-N
DG57180	"(4,4-Diphenyl-2-phenylsulfanyl-5-thioxo-imidazol-1-yl) 3-phenylpropanoate"	389392	"NSC685458; CHEMBL1999967; ZINC1650168; NSC-685458; NCI60_030731; (4,4-diphenyl-2-phenylsulfanyl-5-thioxo-imidazol-1-yl) 3-phenylpropanoate; 5,5-Diphenyl-3-((3-phenylpropanoyl)oxy)-2-(phenylthio)-3,5-dihydro-4H-imidazole-4-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685458	.	.	.	.	508.7	C30H24N2O2S2	99.3	758	7.6	36	0	5	9	"InChI=1S/C30H24N2O2S2/c33-27(22-21-23-13-5-1-6-14-23)34-32-28(35)30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)31-29(32)36-26-19-11-4-12-20-26/h1-20H,21-22H2"	C1=CC=C(C=C1)CCC(=O)ON2C(=S)C(N=C2SC3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5	RCEQRSICVSCQTF-UHFFFAOYSA-N
DG57181	3-(Acetyloxy)-2-(4-methoxyphenyl)-4(3H)-quinazolinethione	389393	NSC685459; CHEMBL1999122; NSC-685459; NCI60_030732; [2-(4-methoxyphenyl)-4-thioxo-quinazolin-3-yl] acetate; 3-(Acetyloxy)-2-(4-methoxyphenyl)-4(3H)-quinazolinethione	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685459	.	.	.	.	326.4	C17H14N2O3S	83.2	500	3.2	23	0	5	4	"InChI=1S/C17H14N2O3S/c1-11(20)22-19-16(12-7-9-13(21-2)10-8-12)18-15-6-4-3-5-14(15)17(19)23/h3-10H,1-2H3"	CC(=O)ON1C(=NC2=CC=CC=C2C1=S)C3=CC=C(C=C3)OC	UAZKMQGIPVQUOG-UHFFFAOYSA-N
DG57182	(2-Phenyl-4-thioxo-quinazolin-3-yl) 3-phenylpropanoate	389395	NSC685461; CHEMBL1988249; ZINC1650171; NSC-685461; NCI60_030733; (2-phenyl-4-thioxo-quinazolin-3-yl) 3-phenylpropanoate; 2-Phenyl-3-((3-phenylpropanoyl)oxy)-4(3H)-quinazolinethione	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685461	.	.	.	.	386.5	C23H18N2O2S	74	593	5.1	28	0	4	6	"InChI=1S/C23H18N2O2S/c26-21(16-15-17-9-3-1-4-10-17)27-25-22(18-11-5-2-6-12-18)24-20-14-8-7-13-19(20)23(25)28/h1-14H,15-16H2"	C1=CC=C(C=C1)CCC(=O)ON2C(=NC3=CC=CC=C3C2=S)C4=CC=CC=C4	PEECWTNEDKKVRY-UHFFFAOYSA-N
DG57183	3-Hydroxy-2-phenyl-quinazoline-4-thione	389396	NSC685462; CHEMBL1989191; DTXSID10327775; ZINC1650172; AKOS016036704; NSC-685462; 3-hydroxy-2-phenyl-quinazoline-4-thione; 13961-53-0; NCI60_030734; 3-Hydroxy-2-phenyl-4(3H)-quinazolinethione	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685462	.	.	.	.	254.31	C14H10N2OS	67.9	363	2.6	18	1	3	1	"InChI=1S/C14H10N2OS/c17-16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(16)18/h1-9,17H"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=S)N2O	KNLKNECMXAABMH-UHFFFAOYSA-N
DG57184	"5-Fluoro-1-[4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidine-2,4-dione"	389397	"NSC685465; CHEMBL2006351; NSC-685465; NCI60_030735; 2,4(1H,3H)-Pyrimidinedione, 1-(3-deoxy-3-fluorohexopyranosyl)-5-fluoro-; 5-fluoro-1-[4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685465	.	.	.	.	294.21	C10H12F2N2O6	119	459	-1.7	20	4	8	2	"InChI=1S/C10H12F2N2O6/c11-3-1-14(10(19)13-8(3)18)9-7(17)5(12)6(16)4(2-15)20-9/h1,4-7,9,15-17H,2H2,(H,13,18,19)"	C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)F)O)F	BXHWKGLMPCAUQA-UHFFFAOYSA-N
DG57185	"2-[4-Fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6-methyl-1,2,4-triazine-3,5-dione"	389398	"NSC685466; CHEMBL1981389; ZINC01650174; NSC-685466; NCI60_030736; 1,2,4-Triazine-3,5(2H,4H)-dione, 2-(3-deoxy-3-fluorohexopyranosyl)-6-methyl-; 2-[4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6-methyl-1,2,4-triazine-3,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685466	.	.	.	.	291.23	C10H14FN3O6	132	458	-1.7	20	4	8	2	"InChI=1S/C10H14FN3O6/c1-3-8(18)12-10(19)14(13-3)9-7(17)5(11)6(16)4(2-15)20-9/h4-7,9,15-17H,2H2,1H3,(H,12,18,19)"	CC1=NN(C(=O)NC1=O)C2C(C(C(C(O2)CO)O)F)O	PERXHQJPMWDAFE-UHFFFAOYSA-N
DG57186	"(6E)-6-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one"	389407	"NSC685478; MLS002702358; MLS-0146214.0001; Cambridge id 5482637; SCHEMBL1528343; CHEMBL1319254; BDBM45978; cid_5333994; ZINC301667; CCG-16331; STK834054; AKOS000671252; MCULE-2657475902; NSC-685478; (6E)-6-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one; NCI60_030748; SMR001565920; 3,5-bis(2-hydroxyphenyl)-1h-1,2,4-triazole; 2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol; AB00086696-01; 2,2'-(1H-1,2,4-Triazole-3,5-diyl)bisphenol; Phenol,2'-[1H-1,2,4-triazole-3,5-diyl]bis-; SR-01000427795; SR-01000427795-1; Phenol, 2,2'-(1H-1,2,4-triazole-3,5-diyl)bis-; 2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]phenol; (6E)-6-[(5Z)-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one; (6E)-6-[(5Z)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one; (6E)-6-[(5Z)-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,4-dienone; 74619-50-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685478	.	.	.	.	253.26	C14H11N3O2	82	302	2.6	19	3	4	2	"InChI=1S/C14H11N3O2/c18-11-7-3-1-5-9(11)13-15-14(17-16-13)10-6-2-4-8-12(10)19/h1-8,18-19H,(H,15,16,17)"	C1=CC=C(C(=C1)C2=NC(=NN2)C3=CC=CC=C3O)O	HIZVPOSTRMNMOK-UHFFFAOYSA-N
DG57187	"2-Imino-4,6,7-trimethyl-chromene-3-carbonitrile"	389418	"NSC685500; 2-imino-4,6,7-trimethyl-chromene-3-carbonitrile; CHEMBL1975313; NSC-685500; NCI60_030759; 2-Imino-4,6,7-trimethyl-2H-chromene-3-carbonitrile; 2-Imino-4,6,7-trimethyl-2H-1-benzopyran-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685500	.	.	.	.	212.25	C13H12N2O	56.9	401	2.6	16	1	3	0	"InChI=1S/C13H12N2O/c1-7-4-10-9(3)11(6-14)13(15)16-12(10)5-8(7)2/h4-5,15H,1-3H3"	CC1=CC2=C(C=C1C)OC(=N)C(=C2C)C#N	NWSCWFLDOLSGEB-UHFFFAOYSA-N
DG57188	"2,4,5-Triamino-6-methylene-chromeno[2,3-b][1,8]naphthyridine-3-carbonitrile"	389419	"NSC685501; CHEMBL1996293; NSC-685501; NCI60_030760; 2,4,5-Triamino-6-methylene-6H-11-oxa-1,12-diazanaphthacene-3-carbonitrile; 2,4,5-Triamino-6-methylene-6H-chromeno[2,3-b][1,8]naphthyridine-3-carbonitrile; 2,4,5-triamino-6-methylene-chromeno[2,3-b][1,8]naphthyridine-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685501	.	.	.	.	316.32	C17H12N6O	133	863	0.6	24	4	6	0	"InChI=1S/C17H12N6O/c1-7-8-4-2-3-5-10(8)24-17-11(7)14(20)12-13(19)9(6-18)15(21)22-16(12)23-17/h2-5H,1H2,(H6,19,20,21,22,23)"	C=C1C2=CC=CC=C2OC3=C1C(=N)C4=C(C(=C(NC4=N3)N)C#N)N	ZTRIFJNWXISFBS-UHFFFAOYSA-N
DG57189	NSC685503	389421	"11-Amino-15-(dicyanomethylidene)-1-methyl-8-oxa-12,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,13-hexaene-10,14-dicarbonitrile; NSC685503; CHEMBL1968583; NSC-685503; NCI60_030762; amino-(dicyanomethylene)-methyl-[ ]dicarbonitrile; 2-(Dicyanomethylene)-5-amino-11b-methyl-1,2,4,11b-tetrahydro-7-oxa-1,4-diaza-7H-benz[de]anthracene-3,6-dicarbonitrile; 5-Amino-2-(dicyanomethylene)-1,2,4,11b-tetrahydrochromeno[2,3,4-de][1,6]naphthyridine-3,6-dicarbonitrile; Propanedinitrile,6-dicyano-1,2,4-trihydro-11b-methyl- [1]benzopyrano[2,3,4-de][1,6]naphthyridin-2-ylidene-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685503	.	.	.	.	365.3	C20H11N7O	155	1110	0.8	28	3	8	0	"InChI=1S/C20H11N7O/c1-20-13-4-2-3-5-14(13)28-18-12(9-24)19(25)26-17(15(18)20)11(8-23)16(27-20)10(6-21)7-22/h2-5,26-27H,25H2,1H3"	CC12C3=CC=CC=C3OC4=C1C(=C(C(=C(C#N)C#N)N2)C#N)NC(=C4C#N)N	JAWXIUAFXQWDRG-UHFFFAOYSA-N
DG57190	"3-[(3,5-Dimethoxyphenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline"	389427	"NSC685509; 3-[(3,5-dimethoxyphenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline; 3-((3,5-Dimethoxyphenoxy)methyl)-2-phenyl-6-(trifluoromethyl)quinoxaline; CHEMBL1974029; NSC-685509; NCI60_030767"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685509	.	.	.	.	440.4	C24H19F3N2O3	53.5	575	5.2	32	0	8	6	"InChI=1S/C24H19F3N2O3/c1-30-17-11-18(31-2)13-19(12-17)32-14-22-23(15-6-4-3-5-7-15)29-20-9-8-16(24(25,26)27)10-21(20)28-22/h3-13H,14H2,1-2H3"	COC1=CC(=CC(=C1)OCC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4)OC	JLCITVSQZPOUHW-UHFFFAOYSA-N
DG57191	Ethyl 3-[(4-fluorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate	389429	NSC685511; ethyl 3-[(4-fluorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate; CHEMBL1987292; NSC-685511; NCI60_030769; (4-Fluoro-benzylamino)-trifluoromethyl-quinoxaline-2-carboxylic acid ethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685511	.	.	.	.	393.3	C19H15F4N3O2	64.099	526	5.1	28	1	9	6	"InChI=1S/C19H15F4N3O2/c1-2-28-18(27)16-17(24-10-11-3-6-13(20)7-4-11)26-15-9-12(19(21,22)23)5-8-14(15)25-16/h3-9H,2,10H2,1H3,(H,24,26)"	CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NCC3=CC=C(C=C3)F	HEDABOPYBDXVSM-UHFFFAOYSA-N
DG57192	3-Ethyl-6-fluoro-2-quinoxalinol	389438	NSC685520; CHEMBL1977544; 3-Ethyl-6-fluoro-2-quinoxalinol; 3-ethyl-6-fluoro-quinoxalin-2-ol; NSC-685520; NCI60_030778	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685520	.	.	.	.	192.19	C10H9FN2O	41.5	277	1.3	14	1	3	1	"InChI=1S/C10H9FN2O/c1-2-7-10(14)13-8-4-3-6(11)5-9(8)12-7/h3-5H,2H2,1H3,(H,13,14)"	CCC1=NC2=C(C=CC(=C2)F)NC1=O	RWOJJWCVYVCXSN-UHFFFAOYSA-N
DG57193	"9-Acetyl-7-phenyl-5H-pyrazolo[1',5':1,2]pyrrolo[3,4-b]pyrazine-5,8(7H)-dione"	389465	"NSC685675; CHEMBL2000140; ZINC1650242; NSC-685675; 9-Acetyl-7-phenyl-5H-pyrazolo[1',5':1,2]pyrrolo[3,4-b]pyrazine-5,8(7H)-dione; NCI60_030796; 9-acetyl-7-phenyl-pyrazolo[[ ]:[ ]]pyrrolo[[ ]]pyrazine-5,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685675	.	.	.	.	306.27	C16H10N4O3	83.5	608	0.3	23	0	5	2	"InChI=1S/C16H10N4O3/c1-9(21)11-14-12-13(18-8-7-17-12)16(23)20(14)19(15(11)22)10-5-3-2-4-6-10/h2-8H,1H3"	CC(=O)C1=C2C3=NC=CN=C3C(=O)N2N(C1=O)C4=CC=CC=C4	VQQSIRLSMKELJK-UHFFFAOYSA-N
DG57194	"3-(1-Acetoxy-2,2-dicyano-vinyl)pyrazine-2-carboxylic acid"	389468	"NSC685677; CHEMBL1976259; NSC-685677; NCI60_030798; 3-(1-acetoxy-2,2-dicyano-vinyl)pyrazine-2-carboxylic acid; 3-(1-(Acetyloxy)-2,2-dicyanovinyl)-2-pyrazinecarboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685677	.	.	.	.	258.19	C11H6N4O4	137	503	-0.7	19	1	8	4	"InChI=1S/C11H6N4O4/c1-6(16)19-10(7(4-12)5-13)8-9(11(17)18)15-3-2-14-8/h2-3H,1H3,(H,17,18)"	CC(=O)OC(=C(C#N)C#N)C1=NC=CN=C1C(=O)O	IEBFIQPZCYVYQF-UHFFFAOYSA-N
DG57195	"1,5,6,9-Pentaazadicylopent[a,b]indene-3,4(2H,5H)-dione,2,5-diphenyl-"	389479	"NSC685687; CHEMBL2005047; NSC-685687; NCI60_030808; Dipyrazolo[3,4'-g]-2-pyrindine-3,4(2H,5H)-dione, 2,5-diphenyl-; 1,5,6,9-Pentaazadicylopent[a,b]indene-3,4(2H,5H)-dione,2,5-diphenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685687	.	.	.	.	379.4	C22H13N5O2	78.2	795	2.8	29	0	5	2	InChI=1S/C22H13N5O2/c28-20-22-18(24-26(20)14-7-3-1-4-8-14)16-11-12-23-13-17(16)19(22)25-27(21(22)29)15-9-5-2-6-10-15/h1-13H	C1=CC=C(C=C1)N2C(=O)C34C(=N2)C5=C(C3=NN(C4=O)C6=CC=CC=C6)C=NC=C5	KLNSLIOAJTXPNY-UHFFFAOYSA-N
DG57196	"15H-Pyrrolo[2,15,4,7,10,20]dioxatetraaza cyclotricosine, cyclic peptide deriv"	389482	"NSC685703; NSC-685703; NCI60_030814; 15H-Pyrrolo[2,15,4,7,10,20]dioxatetraaza cyclotricosine, cyclic peptide deriv; Leucine,5-dimethyl-1,3-dioxohexyl]leucyl]prolyl]-N-methyl-, .phi.-lactone, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685703	.	.	.	.	1062.3	C54H91N7O14	279	2030	5.8	75	5	14	15	"InChI=1S/C54H91N7O14/c1-16-19-32(10)43-41(63)27-42(64)75-46(31(8)9)45(65)33(11)47(66)55-36(24-28(2)3)51(70)61-23-18-21-38(61)53(72)59(15)40(26-30(6)7)54(73)74-35(13)44(49(68)56-43)57-48(67)39(25-29(4)5)58(14)52(71)37-20-17-22-60(37)50(69)34(12)62/h28-41,43-44,46,62-63H,16-27H2,1-15H3,(H,55,66)(H,56,68)(H,57,67)/t32-,33-,34-,35+,36-,37 ,38-,39+,40-,41-,43+,44-,46-/m0/s1"	CCC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)C3CCCN3C(=O)[C@H](C)O)C)CC(C)C)C)CC(C)C)C)C(C)C)O	LCVGRYVBHHRAEK-SCESEMTNSA-N
DG57197	"6-chloro-N4-indan-5-yl-pyrimidine-2,4-diamine"	389507	"NSC685793; 6-chloro-N4-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4-diamine; CHEMBL305182; ZINC1650279; AKOS034057516; MCULE-4957003369; NSC-685793; NCI60_030840; CS-0284611; 6-chloro-N4-indan-5-yl-pyrimidine-2,4-diamine; N'-(Indan-5-yl)-6-chloropyrimidine-2,4-diamine; Z285756890; 6-Chloro-N~4~-(2,3-dihydro-1H-inden-5-yl)-2,4-pyrimidinediamine; 335444-36-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685793	.	.	.	.	260.72	C13H13ClN4	63.8	288	3.5	18	2	4	2	"InChI=1S/C13H13ClN4/c14-11-7-12(18-13(15)17-11)16-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H3,15,16,17,18)"	C1CC2=C(C1)C=C(C=C2)NC3=CC(=NC(=N3)N)Cl	GAHWHLIVMWNYLW-UHFFFAOYSA-N
DG57198	"4,6-dichloro-N-indan-5-yl-pyrimidin-2-amine"	389508	"NSC685794; CHEMBL2007063; NSC-685794; NCI60_030841; 4,6-dichloro-N-indan-5-yl-pyrimidin-2-amine; 4,6-Dichloro-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidinamine; N-(4,6-Dichloro-2-pyrimidinyl)-N-(2,3-dihydro-1H-inden-5-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685794	.	.	.	.	280.15	C13H11Cl2N3	37.8	279	4.8	18	1	3	2	"InChI=1S/C13H11Cl2N3/c14-11-7-12(15)18-13(17-11)16-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H,16,17,18)"	C1CC2=C(C1)C=C(C=C2)NC3=NC(=CC(=N3)Cl)Cl	CSFRCBOPURASLQ-UHFFFAOYSA-N
DG57199	5-(6-Amino-2-bromo-purin-7-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol	389510	"NSC685797; CHEMBL1988276; NSC-685797; NCI60_030844; 7H-Purin-6-amine, 2-bromo-7-(2-deoxypentofuranosyl)-; 7H-Purine-6-amine, 2-bromo-7-(2-deoxy-.beta.-D-ribofuranosyl)-; 5-(6-amino-2-bromo-purin-7-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol; 7H-Purine-6-amine,2-bromo-7-(2-deoxy-.beta.-D-erythropentofuranosyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685797	.	.	.	.	330.14	C10H12BrN5O3	119	338	0.1	19	3	7	2	"InChI=1S/C10H12BrN5O3/c11-10-14-8(12)7-9(15-10)13-3-16(7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)"	C1C(C(OC1N2C=NC3=NC(=NC(=C32)N)Br)CO)O	JCSRFERGDSOOHT-UHFFFAOYSA-N
DG57200	6-Chloro-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]purin-2-amine	389511	"NSC685798; CHEMBL1981624; NSC-685798; NCI60_030845; 9H-Purin-2-amine, 6-chloro-9-[2-deoxy-3,5-bis-O-(4-methylphenyl)pentofuranosyl]-; 6-chloro-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]purin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685798	.	.	.	.	465.9	C24H24ClN5O3	97.3	631	5.7	33	1	7	6	"InChI=1S/C24H24ClN5O3/c1-14-3-7-16(8-4-14)31-12-19-18(32-17-9-5-15(2)6-10-17)11-20(33-19)30-13-27-21-22(25)28-24(26)29-23(21)30/h3-10,13,18-20H,11-12H2,1-2H3,(H2,26,28,29)"	CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4Cl)N)OC5=CC=C(C=C5)C	SVNDYEFTLZCTEX-UHFFFAOYSA-N
DG57201	2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine	389513	"NSC685803; CHEMBL278903; 104715-70-0; n-(4-butylphenyl)-6-(methylsulfanyl)-9h-purin-2-amine; BRN 5594501; 2-(p-n-Butylanilino)-6-(methylthio)purine; 2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine; SCHEMBL7107628; 9H-Purine, 2-((4-butylphenyl)amino)-6-(methylthio)-; DTXSID40909149; BDBM50025592; NSC-685803; NCI60_030846; N-(4-Butylphenyl)-6-(methylthio)-9H-purin-2-amine; N-(4-butylphenyl)-6-methylsulfanyl-9H-purin-2-amine; (4-Butyl-phenyl)-(6-methylsulfanyl-9H-purin-2-yl)-amine; N-(4-Butylphenyl)-N-(6-(methylthio)-9H-purin-2-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685803	.	.	.	.	313.4	C16H19N5S	91.8	335	4.7	22	2	5	6	"InChI=1S/C16H19N5S/c1-3-4-5-11-6-8-12(9-7-11)19-16-20-14-13(17-10-18-14)15(21-16)22-2/h6-10H,3-5H2,1-2H3,(H2,17,18,19,20,21)"	CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)SC)NC=N3	KZOFMVLEQMEJEU-UHFFFAOYSA-N
DG57202	"6-((3,4-Dichlorophenyl)diazenyl)-2,4-pyrimidinediol"	389514	"NSC685804; CHEMBL1980620; NSC-685804; NCI60_030847; 6-((3,4-Dichlorophenyl)diazenyl)-2,4-pyrimidinediol; 6-[(E)-(3,4-dichlorophenyl)azo]pyrimidine-2,4-diol; 2,3H)-Pyrimidinedione, 6-[(3,4-dichlorophenyl)azo]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685804	.	.	.	.	285.08	C10H6Cl2N4O2	82.9	424	2.3	18	2	4	2	"InChI=1S/C10H6Cl2N4O2/c11-6-2-1-5(3-7(6)12)15-16-8-4-9(17)14-10(18)13-8/h1-4H,(H2,13,14,17,18)"	C1=CC(=C(C=C1N=NC2=CC(=O)NC(=O)N2)Cl)Cl	NYYDLONKIRRDKD-UHFFFAOYSA-N
DG57203	5-(p-Aminobenzyl)-6-aminouracil	389516	"NSC685807; 5-(p-aminobenzyl)-6-aminouracil; 73926-10-0; CHEMBL1976004; NSC-685807; NCI60_030850; 6-Amino-5-(4-aminobenzyl)-2,4-pyrimidinediol; 6-amino-5-[(4-aminophenyl)methyl]pyrimidine-2,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685807	.	.	.	.	232.24	C11H12N4O2	110	370	-0.2	17	4	4	2	"InChI=1S/C11H12N4O2/c12-7-3-1-6(2-4-7)5-8-9(13)14-11(17)15-10(8)16/h1-4H,5,12H2,(H4,13,14,15,16,17)"	C1=CC(=CC=C1CC2=C(NC(=O)NC2=O)N)N	BDDDMPONZRBSHW-UHFFFAOYSA-N
DG57204	"N-indan-5-yl-2,6-dimethoxy-pyrimidin-4-amine"	389523	"NSC685814; CHEMBL1998354; NSC-685814; NCI60_030857; N-indan-5-yl-2,6-dimethoxy-pyrimidin-4-amine; N-(2,3-Dihydro-1H-inden-5-yl)-2,6-dimethoxy-4-pyrimidinamine; N-(2,3-Dihydro-1H-inden-5-yl)-N-(2,6-dimethoxy-4-pyrimidinyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685814	.	.	.	.	271.31	C15H17N3O2	56.3	316	3.5	20	1	5	4	"InChI=1S/C15H17N3O2/c1-19-14-9-13(17-15(18-14)20-2)16-12-7-6-10-4-3-5-11(10)8-12/h6-9H,3-5H2,1-2H3,(H,16,17,18)"	COC1=NC(=NC(=C1)NC2=CC3=C(CCC3)C=C2)OC	AVNINNINMDLJBK-UHFFFAOYSA-N
DG57205	"7H-Purine, 6-chloro-7-[2-deoxy-3-O-(4-methylphenyl)-4-(4-methylphenoxy)-beta-D-erythrofuranosyl]-"	389531	"NSC685828; CHEMBL1964355; NSC-685828; NCI60_030871; 7H-Purine, 6-chloro-7-[2-deoxy-3-O-(4-methylphenyl)- 4-(4-methylphenoxy)-.beta.-D-erythrofuranosyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685828	.	.	.	.	436.9	C23H21ClN4O3	71.3	585	5.4	31	0	6	5	"InChI=1S/C23H21ClN4O3/c1-14-3-7-16(8-4-14)29-18-11-19(28-13-27-22-20(28)21(24)25-12-26-22)31-23(18)30-17-9-5-15(2)6-10-17/h3-10,12-13,18-19,23H,11H2,1-2H3"	CC1=CC=C(C=C1)OC2CC(OC2OC3=CC=C(C=C3)C)N4C=NC5=C4C(=NC=N5)Cl	CSDLBWYBGLSQRE-UHFFFAOYSA-N
DG57206	"2,6-Dichloro-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]purine"	389534	NSC685832; CHEMBL1983990; NSC-685832; NCI60_030875	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685832	.	.	.	.	485.4	C24H22Cl2N4O3	71.3	633	7	33	0	6	6	"InChI=1S/C24H22Cl2N4O3/c1-14-3-7-16(8-4-14)31-12-19-18(32-17-9-5-15(2)6-10-17)11-20(33-19)30-13-27-21-22(25)28-24(26)29-23(21)30/h3-10,13,18-20H,11-12H2,1-2H3"	CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4Cl)Cl)OC5=CC=C(C=C5)C	JVLGVUZJCTTXPR-UHFFFAOYSA-N
DG57207	"7H-Purine,6-dichloro-7-[2-deoxy-3,5-O-bis(4-methylphenyl)-beta-D-erythropentofuranosyl]-"	389535	"NSC685833; CHEMBL1970457; NSC-685833; NCI60_030876; 7H-Purine,6-dichloro- 7-[2-deoxy-3,5-O-bis(4-methylphenyl)- .beta.-D-ribofuranosyl]-; 7H-Purine,6-dichloro- 7-[2-deoxy-3,5-O-bis(4-methylphenyl)-.beta.-D-erythropentofuranosyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685833	.	.	.	.	485.4	C24H22Cl2N4O3	71.3	633	6.2	33	0	6	6	"InChI=1S/C24H22Cl2N4O3/c1-14-3-7-16(8-4-14)31-12-19-18(32-17-9-5-15(2)6-10-17)11-20(33-19)30-13-27-23-21(30)22(25)28-24(26)29-23/h3-10,13,18-20H,11-12H2,1-2H3"	CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3C(=NC(=N4)Cl)Cl)OC5=CC=C(C=C5)C	BVFHGAPJCPMNRY-UHFFFAOYSA-N
DG57208	"9-[4-(4-Methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]-2,6-bis(methylsulfanyl)purine"	389538	"NSC685836; CHEMBL1984985; NSC-685836; NCI60_030879; 9H-Purine, 9-[2-deoxy-3,5-bis-O-(4-methylphenyl)pentofuranosyl]-2,6-bis(methylthio)-; 9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]-2,6-bis(methylsulfanyl)purine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685836	.	.	.	.	508.7	C26H28N4O3S2	122	663	6.7	35	0	8	8	"InChI=1S/C26H28N4O3S2/c1-16-5-9-18(10-6-16)31-14-21-20(32-19-11-7-17(2)8-12-19)13-22(33-21)30-15-27-23-24(30)28-26(35-4)29-25(23)34-3/h5-12,15,20-22H,13-14H2,1-4H3"	CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4SC)SC)OC5=CC=C(C=C5)C	XHBYTQHTEKKITM-UHFFFAOYSA-N
DG57209	3-Amino-5-methoxy-2-(4-methoxyphenyl)inden-1-one	389548	NSC685853; 3-Amino-5-methoxy-2-(4-methoxyphenyl)-1H-inden-1-one; 3-amino-5-methoxy-2-(4-methoxyphenyl)inden-1-one; 199987-17-2; SCHEMBL6346941; CHEMBL1986326; DTXSID30327777; ZINC1650326; NSC-685853; NCI60_030886; 2-(4-Methoxyphenyl)-3-amino-5-methoxy-1H-inden-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685853	.	.	.	.	281.3	C17H15NO3	61.6	437	2.5	21	1	4	3	"InChI=1S/C17H15NO3/c1-20-11-5-3-10(4-6-11)15-16(18)14-9-12(21-2)7-8-13(14)17(15)19/h3-9H,18H2,1-2H3"	COC1=CC=C(C=C1)C2=C(C3=C(C2=O)C=CC(=C3)OC)N	SSXNAVNUUDFWTL-UHFFFAOYSA-N
DG57210	ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)methyl]-1H-indole-2-carboxylate	389555	"NSC685860; CHEMBL1970923; ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)methyl]-1H-indole-2-carboxylate; bis(2-ethoxycarbonyl-5-indolyl)methane; NSC-685860; NCI60_030893; 1H-Indole-2-carboxylic acid, 5,5'-methylenebis-, diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685860	.	.	.	.	390.4	C23H22N2O4	84.2	547	5.2	29	2	4	8	"InChI=1S/C23H22N2O4/c1-3-28-22(26)20-12-16-10-14(5-7-18(16)24-20)9-15-6-8-19-17(11-15)13-21(25-19)23(27)29-4-2/h5-8,10-13,24-25H,3-4,9H2,1-2H3"	CCOC(=O)C1=CC2=C(N1)C=CC(=C2)CC3=CC4=C(C=C3)NC(=C4)C(=O)OCC	RBVJUIQMEHTLLD-UHFFFAOYSA-N
DG57211	"Diethyl 1,6-dihydropyrrolo[2,3-e]indole-2,7-dicarboxylate"	389557	"NSC685862; Diethyl 1,6-dihydropyrrolo[2,3-e]indole-2,7-dicarboxylate; CHEMBL1975538; NSC-685862; NCI60_030895; 2,7-dicarbethoxy-1h,6h-pyrrolo[2,3-e]indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685862	.	.	.	.	300.31	C16H16N2O4	84.2	442	3.9	22	2	4	6	"InChI=1S/C16H16N2O4/c1-3-21-15(19)12-7-9-5-6-11-10(14(9)18-12)8-13(17-11)16(20)22-4-2/h5-8,17-18H,3-4H2,1-2H3"	CCOC(=O)C1=CC2=C(N1)C3=C(C=C2)NC(=C3)C(=O)OCC	CVFUUPDCCYVRID-UHFFFAOYSA-N
DG57212	ethyl 5-acetyl-4-(4-nitrobenzoyl)-1H-indole-2-carboxylate	389560	NSC685865; ethyl 5-acetyl-4-(4-nitrobenzoyl)-1H-indole-2-carboxylate; CHEMBL1973863; NSC-685865; NCI60_030898; Ethyl 5-acetyl-4-(4-(hydroxy(oxido)amino)benzoyl)-1H-indole-2-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685865	.	.	.	.	380.3	C20H16N2O6	122	637	3.5	28	1	6	6	"InChI=1S/C20H16N2O6/c1-3-28-20(25)17-10-15-16(21-17)9-8-14(11(2)23)18(15)19(24)12-4-6-13(7-5-12)22(26)27/h4-10,21H,3H2,1-2H3"	CCOC(=O)C1=CC2=C(N1)C=CC(=C2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C	WRARGOMTFVQXBJ-UHFFFAOYSA-N
DG57213	N-[3-(3-methylanilino)quinoxalin-2-yl]benzenesulfonamide	389567	NSC685874; Oprea1_204014; SCHEMBL1793118; CHEMBL1977837; N-[3-(3-methylanilino)quinoxalin-2-yl]benzenesulfonamide; CCG-2139; ZINC2895915; AKOS002346841; MCULE-1995771090; NSC-685874; NCI60_030905; N-(3-(3-Toluidino)-2-quinoxalinyl)benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685874	.	.	.	.	390.5	C21H18N4O2S	92.4	602	4.3	28	2	6	5	"InChI=1S/C21H18N4O2S/c1-15-8-7-9-16(14-15)22-20-21(24-19-13-6-5-12-18(19)23-20)25-28(26,27)17-10-3-2-4-11-17/h2-14H,1H3,(H,22,23)(H,24,25)"	CC1=CC(=CC=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4	ZKTJOYBXTFYINO-UHFFFAOYSA-N
DG57214	4-amino-N-[3-(3-methylanilino)quinoxalin-2-yl]benzenesulfonamide	389568	NSC685875; Oprea1_374655; CBDivE_012195; CHEMBL2002966; 4-amino-N-[3-(3-methylanilino)quinoxalin-2-yl]benzenesulfonamide; NSC-685875; NCI60_030906; 4-Amino-N-(3-(3-toluidino)-2-quinoxalinyl)benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685875	.	.	.	.	405.5	C21H19N5O2S	118	632	3.6	29	3	7	5	"InChI=1S/C21H19N5O2S/c1-14-5-4-6-16(13-14)23-20-21(25-19-8-3-2-7-18(19)24-20)26-29(27,28)17-11-9-15(22)10-12-17/h2-13H,22H2,1H3,(H,23,24)(H,25,26)"	CC1=CC(=CC=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)N	GGIAHEUYQBDTAI-UHFFFAOYSA-N
DG57215	4-amino-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]benzenesulfonamide	389569	NSC685876; Oprea1_752909; CHEMBL1967742; ZINC1650342; 4-amino-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]benzenesulfonamide; STL337664; AKOS022133487; MCULE-2042069461; NSC-685876; NCI60_030907; 4-Amino-N-(3-(4-(aminosulfonyl)anilino)-2-quinoxalinyl)benzenesulfonamide; 4-amino-N-{3-[(4-sulfamoylphenyl)amino]quinoxalin-2-yl}benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685876	.	.	.	.	470.5	C20H18N6O4S2	187	827	1.8	32	4	10	6	"InChI=1S/C20H18N6O4S2/c21-13-5-9-16(10-6-13)32(29,30)26-20-19(24-17-3-1-2-4-18(17)25-20)23-14-7-11-15(12-8-14)31(22,27)28/h1-12H,21H2,(H,23,24)(H,25,26)(H2,22,27,28)"	C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)N)NC4=CC=C(C=C4)S(=O)(=O)N	BHEUWDZRNPUSFW-UHFFFAOYSA-N
DG57216	4-amino-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide	389570	NSC685877; Oprea1_637838; CBDivE_012193; CHEMBL2005339; ZINC754361; 4-amino-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide; NSC-685877; NCI60_030908; 4-Amino-N-(3-(4-toluidino)-2-quinoxalinyl)benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685877	.	.	.	.	405.5	C21H19N5O2S	118	624	3.6	29	3	7	5	"InChI=1S/C21H19N5O2S/c1-14-6-10-16(11-7-14)23-20-21(25-19-5-3-2-4-18(19)24-20)26-29(27,28)17-12-8-15(22)9-13-17/h2-13H,22H2,1H3,(H,23,24)(H,25,26)"	CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)N	WHUVAJFXXFPQAJ-UHFFFAOYSA-N
DG57217	N-[3-(azepan-1-yl)quinoxalin-2-yl]benzenesulfonamide	389573	NSC685880; N-[3-(azepan-1-yl)quinoxalin-2-yl]benzenesulfonamide; Oprea1_495162; CHEMBL1988466; ZINC1650344; AKOS002346827; MCULE-9626708166; NSC-685880; NCGC00300464-01; NCI60_030911; AB01298041-01; N-(3-(1-Azepanyl)-2-quinoxalinyl)benzenesulfonamide; Z31193667; 301358-31-6	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685880	.	.	.	.	382.5	C20H22N4O2S	83.6	565	3.7	27	1	6	4	"InChI=1S/C20H22N4O2S/c25-27(26,16-10-4-3-5-11-16)23-19-20(24-14-8-1-2-9-15-24)22-18-13-7-6-12-17(18)21-19/h3-7,10-13H,1-2,8-9,14-15H2,(H,21,23)"	C1CCCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4	NLYBSDNKLFTAMV-UHFFFAOYSA-N
DG57218	Carnocin CP 5	389574	"Carnocin CP 5; NSC685881; CHEMBL2007564; CHEBI:175595; NSC-685881; N-[4-[(1,4-dioxo-3-pyridin-1-ium-1-yl-tetralin-2-yl)sulfamoyl]phenyl]acetamide; (4-acetamidophenyl)sulonyl-(1,4-dioxo-3-pyridin-1-ium-1-yl-2,3-dihydronaphthalen-2-yl)azanide; 1-(3-{[(4-acetamidobenzene)sulfonyl]azanidyl}-1,4-dioxo-1,2,3,4-tetrahydronaphthalen-2-yl)-1$l^{5}-pyridin-1-ylium; N-(4-(((1,4-Dioxo-3-(1.lambda.~5~-pyridin-1-yl)-1,2,3,4-tetrahydro-2-naphthalenyl)amino)sulfonyl)phenyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685881	.	.	.	.	449.5	C23H19N3O5S	111	825	2.1	32	1	6	5	"InChI=1S/C23H19N3O5S/c1-15(27)24-16-9-11-17(12-10-16)32(30,31)25-20-21(26-13-5-2-6-14-26)23(29)19-8-4-3-7-18(19)22(20)28/h2-14,20-21H,1H3,(H,24,27)"	CC(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C2C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=CC=C4	QGGNFPVBCAGWRP-UHFFFAOYSA-N
DG57219	"N-(3-imidazol-1-yl-1,4-dioxo-tetralin-2-yl)-4-methyl-benzenesulfonamide"	389578	"NSC685883; CHEMBL1978633; NSC-685883; NCI60_030914; N-(3-imidazol-1-yl-1,4-dioxo-tetralin-2-yl)-4-methyl-benzenesulfonamide; N-(3-(1H-Imidazol-1-yl)-1,4-dioxo-1,2,3,4-tetrahydro-2-naphthalenyl)-4-methylbenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685883	.	.	.	.	395.4	C20H17N3O4S	107	712	2.3	28	1	6	4	"InChI=1S/C20H17N3O4S/c1-13-6-8-14(9-7-13)28(26,27)22-17-18(23-11-10-21-12-23)20(25)16-5-3-2-4-15(16)19(17)24/h2-12,17-18,22H,1H3"	CC1=CC=C(C=C1)S(=O)(=O)NC2C(C(=O)C3=CC=CC=C3C2=O)N4C=CN=C4	YBRWLBVYGATHBO-UHFFFAOYSA-N
DG57220	"N-[3-(benzimidazol-1-yl)-1,4-dioxo-tetralin-2-yl]-4-methyl-benzenesulfonamide"	389579	"NSC685884; CHEMBL1996966; NSC-685884; NCI60_030915; N-[3-(benzimidazol-1-yl)-1,4-dioxo-tetralin-2-yl]-4-methyl-benzenesulfonamide; N-(3-(1H-Benzimidazol-1-yl)-1,4-dioxo-1,2,3,4-tetrahydro-2-naphthalenyl)-4-methylbenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685884	.	.	.	.	445.5	C24H19N3O4S	107	833	3.7	32	1	6	4	"InChI=1S/C24H19N3O4S/c1-15-10-12-16(13-11-15)32(30,31)26-21-22(27-14-25-19-8-4-5-9-20(19)27)24(29)18-7-3-2-6-17(18)23(21)28/h2-14,21-22,26H,1H3"	CC1=CC=C(C=C1)S(=O)(=O)NC2C(C(=O)C3=CC=CC=C3C2=O)N4C=NC5=CC=CC=C54	YZMFREUHIKGBFH-UHFFFAOYSA-N
DG57221	"N-[3-(dibenzylamino)-1,4-dioxo-2-naphthyl]benzenesulfonamide"	389580	"NSC685885; CHEMBL1965055; NSC-685885; NCI60_030916; N-[3-(dibenzylamino)-1,4-dioxo-2-naphthyl]benzenesulfonamide; N-(3-(Dibenzylamino)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685885	.	.	.	.	508.6	C30H24N2O4S	91.9	931	5.5	37	1	6	8	"InChI=1S/C30H24N2O4S/c33-29-25-18-10-11-19-26(25)30(34)28(27(29)31-37(35,36)24-16-8-3-9-17-24)32(20-22-12-4-1-5-13-22)21-23-14-6-2-7-15-23/h1-19,31H,20-21H2"	C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=CC=C5	RSGMVFUNSCLZDM-UHFFFAOYSA-N
DG57222	N-(3-(1-Naphthylamino)-2-quinoxalinyl)benzenesulfonamide	389581	NSC685886; Oprea1_622760; Oprea1_677336; SCHEMBL1790960; CHEMBL1974588; ZINC1650361; NSC-685886; NCI60_030917; N-(3-(1-Naphthylamino)-2-quinoxalinyl)benzenesulfonamide; N-[3-(1-naphthylamino)quinoxalin-2-yl]benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685886	.	.	.	.	426.5	C24H18N4O2S	92.4	690	5.2	31	2	6	5	"InChI=1S/C24H18N4O2S/c29-31(30,18-11-2-1-3-12-18)28-24-23(26-21-14-6-7-15-22(21)27-24)25-20-16-8-10-17-9-4-5-13-19(17)20/h1-16H,(H,25,26)(H,27,28)"	C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC5=CC=CC=C54	QZVRBOHELCXCOK-UHFFFAOYSA-N
DG57223	N-(3-(Naphthalen-2-ylamino)quinoxalin-2-yl) benzenesulfonamide	389582	NSC685887; Oprea1_092336; Oprea1_540899; SCHEMBL3139427; CHEMBL1994478; ZINC754365; NSC-685887; NCI60_030918; N-(3-(2-Naphthylamino)-2-quinoxalinyl)benzenesulfonamide; N-[3-(2-naphthylamino)quinoxalin-2-yl]benzenesulfonamide; N-(3-(Naphthalen-2-ylamino)quinoxalin-2-yl) benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685887	.	.	.	.	426.5	C24H18N4O2S	92.4	690	5.2	31	2	6	5	"InChI=1S/C24H18N4O2S/c29-31(30,20-10-2-1-3-11-20)28-24-23(26-21-12-6-7-13-22(21)27-24)25-19-15-14-17-8-4-5-9-18(17)16-19/h1-16H,(H,25,26)(H,27,28)"	C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=CC=CC=C5C=C4	SKLSHCWBXLGPEZ-UHFFFAOYSA-N
DG57224	"N-(3-imidazol-1-yl-1,4-dioxo-2-naphthyl)benzenesulfonamide"	389584	"NSC685889; CHEMBL2003066; MCULE-9806849655; NSC-685889; NCI60_030920; Z56768957; N-(3-imidazol-1-yl-1,4-dioxo-2-naphthyl)benzenesulfonamide; N-(3-(1H-Imidazol-1-yl)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide; 1-{3-[(benzenesulfonyl)azanidyl]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}-3H-1lambda5-imidazol-1-ylium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685889	.	.	.	.	379.4	C19H13N3O4S	107	749	2.1	27	1	6	4	"InChI=1S/C19H13N3O4S/c23-18-14-8-4-5-9-15(14)19(24)17(22-11-10-20-12-22)16(18)21-27(25,26)13-6-2-1-3-7-13/h1-12,21H"	C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4C=CN=C4	MAIPCAOTPKHYEC-UHFFFAOYSA-N
DG57225	"N-[3-(benzimidazol-1-yl)-1,4-dioxo-2-naphthyl]benzenesulfonamide"	389585	"NSC685890; CHEMBL1974304; NSC-685890; NCI60_030921; N-[3-(benzimidazol-1-yl)-1,4-dioxo-2-naphthyl]benzenesulfonamide; N-(3-(1H-Benzimidazol-1-yl)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685890	.	.	.	.	429.4	C23H15N3O4S	107	872	3.6	31	1	6	4	"InChI=1S/C23H15N3O4S/c27-22-16-10-4-5-11-17(16)23(28)21(26-14-24-18-12-6-7-13-19(18)26)20(22)25-31(29,30)15-8-2-1-3-9-15/h1-14,25H"	C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4C=NC5=CC=CC=C54	ZOVRMNJPPKPBEM-UHFFFAOYSA-N
DG57226	N-(3-(1-Methyl-3H-benzimidazol-3-yl)-2-quinoxalinyl)benzenesulfonamide	389588	NSC685892; CHEMBL1991631; NSC-685892; N-(3-(1-Methyl-3H-benzimidazol-3-yl)-2-quinoxalinyl)benzenesulfonamide; N-[3-(3-methylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685892	.	.	.	.	415.5	C22H17N5O2S	78.1	692	3.7	30	0	5	4	"InChI=1S/C22H17N5O2S/c1-26-15-27(20-14-8-7-13-19(20)26)22-21(23-17-11-5-6-12-18(17)24-22)25-30(28,29)16-9-3-2-4-10-16/h2-15H,1H3"	C[N+]1=CN(C2=CC=CC=C21)C3=NC4=CC=CC=C4N=C3[N-]S(=O)(=O)C5=CC=CC=C5	NORQNKRMGYRMSM-UHFFFAOYSA-N
DG57227	tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate	389615	NSC685961; CHEMBL210734; tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate; NSC-685961; NCI60_030943; tert-Butyl 4-aminobutyl(3-aminopropyl)carbamate; 3-Aminopropyl(4-aminobutyl)carbamic acid tert-butyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685961	.	.	.	.	245.36	C12H27N3O2	81.6	214	0.3	17	2	4	9	"InChI=1S/C12H27N3O2/c1-12(2,3)17-11(16)15(10-6-8-14)9-5-4-7-13/h4-10,13-14H2,1-3H3"	CC(C)(C)OC(=O)N(CCCCN)CCCN	LXFKQBNEHNLMRB-UHFFFAOYSA-N
DG57228	tert-butyl N-[4-(benzyloxycarbonylamino)butyl]-N-[3-(benzyloxycarbonylamino)propyl]carbamate	389618	NSC685964; CHEMBL1983803; NSC-685964; NCI60_030946; tert-butyl N-[4-(benzyloxycarbonylamino)butyl]-N-[3-(benzyloxycarbonylamino)propyl]carbamate; {3-[(4-Benzyloxycarbonylamino-butyl)-tert-butoxycarbonyl-amino]-propyl}-carbamic acid benzyl ester; N-[3-[[4-[(Benzyloxy)carbonylamino]butyl](tert-butyloxycarbonyl)amino]propyl]carbamic acid benzyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685964	.	.	.	.	513.6	C28H39N3O6	106	669	4.6	37	2	6	17	"InChI=1S/C28H39N3O6/c1-28(2,3)37-27(34)31(20-12-18-30-26(33)36-22-24-15-8-5-9-16-24)19-11-10-17-29-25(32)35-21-23-13-6-4-7-14-23/h4-9,13-16H,10-12,17-22H2,1-3H3,(H,29,32)(H,30,33)"	CC(C)(C)OC(=O)N(CCCCNC(=O)OCC1=CC=CC=C1)CCCNC(=O)OCC2=CC=CC=C2	JKQPWVHFTYCDEA-UHFFFAOYSA-N
DG57229	"N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide"	389624	"NSC685970; CHEMBL1968404; NSC-685970; N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide; NCI60_030952; N-(4-((Trifluoroacetyl)amino)butyl)-N-(3-((trifluoroacetyl)amino)propyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685970	.	.	.	.	441.4	C18H21F6N3O3	78.5	575	3.3	30	2	9	10	"InChI=1S/C18H21F6N3O3/c19-17(20,21)15(29)25-9-4-5-11-27(14(28)13-7-2-1-3-8-13)12-6-10-26-16(30)18(22,23)24/h1-3,7-8H,4-6,9-12H2,(H,25,29)(H,26,30)"	C1=CC=C(C=C1)C(=O)N(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F	RYICIJADPQFEPF-UHFFFAOYSA-N
DG57230	"Carbamic acid, 1,4-butanediylbis[[3-[(phenylacetyl)amino]propyl]-, phenylmethyl phenylmethyl ester"	389629	"NSC685974; CHEMBL1970294; NSC-685974; Carbamic acid, 1,4-butanediylbis[[3-[(phenylacetyl)amino]propyl]-, phenylmethyl phenylmethyl ester; NCI60_030956; benzyl N-[4-[benzyloxycarbonyl-[3-[(2-phenylacetyl)amino]propyl]amino]butyl]-N-[3-[(2-phenylacetyl)amino]propyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685974	.	.	.	.	706.9	C42H50N4O6	117	938	6.3	52	2	6	23	"InChI=1S/C42H50N4O6/c47-39(31-35-17-5-1-6-18-35)43-25-15-29-45(41(49)51-33-37-21-9-3-10-22-37)27-13-14-28-46(42(50)52-34-38-23-11-4-12-24-38)30-16-26-44-40(48)32-36-19-7-2-8-20-36/h1-12,17-24H,13-16,25-34H2,(H,43,47)(H,44,48)"	C1=CC=C(C=C1)CC(=O)NCCCN(CCCCN(CCCNC(=O)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4	NFLSUCUXQVHATQ-UHFFFAOYSA-N
DG57231	"Carbamic acid, 1,4-butanediylbis[[3-[(trifluoroacetyl)amino]propyl]-, phenylmethyl phenylmethyl ester"	389633	"NSC685977; Carbamic acid, 1,4-butanediylbis[[3-[(trifluoroacetyl)amino]propyl]-, phenylmethyl phenylmethyl ester; CHEMBL1990657; NSC-685977; NCI60_030959; Carbamic acid,4-butanediylbis[N-[3-[(trifluoroacetyl] amino)propyl]]-, phenylmethyl diester; benzyl N-[4-[benzyloxycarbonyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685977	.	.	.	.	662.6	C30H36F6N4O6	117	866	5.3	46	2	12	19	"InChI=1S/C30H36F6N4O6/c31-29(32,33)25(41)37-15-9-19-39(27(43)45-21-23-11-3-1-4-12-23)17-7-8-18-40(20-10-16-38-26(42)30(34,35)36)28(44)46-22-24-13-5-2-6-14-24/h1-6,11-14H,7-10,15-22H2,(H,37,41)(H,38,42)"	C1=CC=C(C=C1)COC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OCC2=CC=CC=C2)CCCNC(=O)C(F)(F)F	FMRNDEFTGOCQIQ-UHFFFAOYSA-N
DG57232	"1, N,N'-bis(3-aminopropyl)-N,N'-bis(3-phenylpropyl)-, tetrakis(trifluoroacetate)"	389636	"NSC685980; CHEMBL1972081; NSC-685980; 1, N,N'-bis(3-aminopropyl)- N,N'-bis(3-phenylpropyl)-, tetrakis(trifluoroacetate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685980	.	.	.	.	552.7	C30H47F3N4O2	95.8	450	.	39	3	9	19	"InChI=1S/C28H46N4.C2HF3O2/c29-19-11-25-31(23-9-17-27-13-3-1-4-14-27)21-7-8-22-32(26-12-20-30)24-10-18-28-15-5-2-6-16-28;3-2(4,5)1(6)7/h1-6,13-16H,7-12,17-26,29-30H2;(H,6,7)"	C1=CC=C(C=C1)CCCN(CCCCN(CCCC2=CC=CC=C2)CCCN)CCCN.C(=O)(C(F)(F)F)O	IKSSHTWHTJVXPY-UHFFFAOYSA-N
DG57233	NSC685981	389638	"2,2,2-Trifluoro-N-(3-((2-naphthylmethyl)(4-((2-naphthylmethyl)(3-((trifluoroacetyl)amino)propyl)amino)butyl)amino)propyl)acetamide; NSC685981; CHEMBL1988345; NSC-685981; NCI60_030963; 1, N,N'-bis[(2-naphthalenyl)methyl- N,N'-bis[3-[(trifluoroacetyl)amino]propyl]-; 2,2,2-Trifluoro-N-(3-((2-naphthylmethyl)(4-((2-naphthylmethyl)(3-((trifluoroacetyl)amino)propyl)amino)butyl)amino)propyl)acetamide; 2,2,2-trifluoro-N-[3-[2-naphthylmethyl-[4-[2-naphthylmethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685981	.	.	.	.	674.7	C36H40F6N4O2	64.7	903	8.1	48	2	10	17	"InChI=1S/C36H40F6N4O2/c37-35(38,39)33(47)43-17-7-21-45(25-27-13-15-29-9-1-3-11-31(29)23-27)19-5-6-20-46(22-8-18-44-34(48)36(40,41)42)26-28-14-16-30-10-2-4-12-32(30)24-28/h1-4,9-16,23-24H,5-8,17-22,25-26H2,(H,43,47)(H,44,48)"	C1=CC=C2C=C(C=CC2=C1)CN(CCCCN(CCCNC(=O)C(F)(F)F)CC3=CC4=CC=CC=C4C=C3)CCCNC(=O)C(F)(F)F	UXFATSAFEVUKRA-UHFFFAOYSA-N
DG57234	"N,N'-bis(3-aminopropyl)-N,N'-bis(naphthalen-2-ylmethyl)butane-1,4-diamine;2,2,2-trifluoroacetic acid"	389639	NSC685982; CHEMBL1997719; NSC-685982	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685982	.	.	.	.	596.7	C34H43F3N4O2	95.8	616	.	43	3	9	15	"InChI=1S/C32H42N4.C2HF3O2/c33-17-7-21-35(25-27-13-15-29-9-1-3-11-31(29)23-27)19-5-6-20-36(22-8-18-34)26-28-14-16-30-10-2-4-12-32(30)24-28;3-2(4,5)1(6)7/h1-4,9-16,23-24H,5-8,17-22,25-26,33-34H2;(H,6,7)"	C1=CC=C2C=C(C=CC2=C1)CN(CCCCN(CCCN)CC3=CC4=CC=CC=C4C=C3)CCCN.C(=O)(C(F)(F)F)O	UIJIOEKMPAXSIT-UHFFFAOYSA-N
DG57235	"Benzoic acid, 2-chloro-4-[[(2-bromo-3,6-dihydroxyphenyl)-methyl]amino]-, methyl ester"	389643	"NSC685985; MLS002702361; CHEMBL1732833; ZINC1650376; NSC-685985; NCI60_030967; SMR001565923; Benzoic acid,6-dihydroxyphenyl)- methyl]amino]-, methyl ester; methyl 4-[(2-bromo-3,6-dihydroxy-phenyl)methylamino]-2-chloro-benzoate; Benzoic acid, 2-chloro-4-[[(2-bromo-3,6-dihydroxyphenyl)-methyl]amino]-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685985	.	.	.	.	386.62	C15H13BrClNO4	78.8	387	3.9	22	3	5	5	"InChI=1S/C15H13BrClNO4/c1-22-15(21)9-3-2-8(6-11(9)17)18-7-10-12(19)4-5-13(20)14(10)16/h2-6,18-20H,7H2,1H3"	COC(=O)C1=C(C=C(C=C1)NCC2=C(C=CC(=C2Br)O)O)Cl	KTAXLDMUDOECBY-UHFFFAOYSA-N
DG57236	NSC686039	389664	"[3,4,5-Triacetoxy-6-[4-(4-chlorophenyl)-5-cyano-6-oxo-2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-pyrimidin-1-yl]tetrahydropyran-2-yl]methyl acetate; NSC686039; NSC686036; CHEMBL1987799; NSC-686036; NSC-686039; NCI60_030986; NCI60_030989; [3,4,5-triacetoxy-6-[4-(4-chlorophenyl)-5-cyano-6-oxo-2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-pyrimidin-1-yl]tetrahydropyran-2-yl]methyl acetate; 5-Pyrimidinecarbonitrile, 4-(4-chlorophenyl)-1,6-dihydro-6-oxo-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-2-[(2,3,4,6-tetra-O-acetylhexopyranosyl)thio]-; Pyrimidine-5-carbonitrile,3,4,6-O-tetraacetyl- .beta.-D-galactopyranosyl)-2-[(2,3,4,6-O-tetraacetyl- .beta.-D-galactopyranosyl)thio]-4-(4-chlorophenyl)- 1,6-dihydro-6-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686039	.	.	.	.	924.3	C39H42ClN3O19S	311	1940	1.8	63	0	22	22	"InChI=1S/C39H42ClN3O19S/c1-16(44)53-14-27-30(55-18(3)46)32(57-20(5)48)34(59-22(7)50)37(61-27)43-36(52)26(13-41)29(24-9-11-25(40)12-10-24)42-39(43)63-38-35(60-23(8)51)33(58-21(6)49)31(56-19(4)47)28(62-38)15-54-17(2)45/h9-12,27-28,30-35,37-38H,14-15H2,1-8H3"	CC(=O)OCC1C(C(C(C(O1)N2C(=O)C(=C(N=C2SC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=C(C=C4)Cl)C#N)OC(=O)C)OC(=O)C)OC(=O)C	KLVUXXXCQCXMDT-UHFFFAOYSA-N
DG57237	Diethyl 2-[[4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate	389671	NSC686048; CHEMBL1966519; NSC-686048; diethyl 2-[[4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate; NCI60_030998; Diethyl 2-((4-((7-(trifluoromethyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate; 2-[[4-[[7-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid diethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686048	.	.	.	.	518.5	C25H25F3N4O5	120	776	4.1	37	2	11	12	"InChI=1S/C25H25F3N4O5/c1-3-36-22(33)12-11-19(24(35)37-4-2)32-23(34)15-5-8-17(9-6-15)30-21-14-29-18-10-7-16(25(26,27)28)13-20(18)31-21/h5-10,13-14,19H,3-4,11-12H2,1-2H3,(H,30,31)(H,32,34)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=CN=C3C=CC(=CC3=N2)C(F)(F)F	WCELHRBDOZDRAZ-UHFFFAOYSA-N
DG57238	Diethyl 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate	389673	NSC686050; CHEMBL2003319; NSC-686050; diethyl 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate; NCI60_031000; 2-[[4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid diethyl ester; Diethyl 2-((4-((3-phenyl-7-(trifluoromethyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686050	.	.	.	.	594.6	C31H29F3N4O5	120	924	5.8	43	2	11	13	"InChI=1S/C31H29F3N4O5/c1-3-42-26(39)17-16-24(30(41)43-4-2)38-29(40)20-10-13-22(14-11-20)35-28-27(19-8-6-5-7-9-19)36-23-15-12-21(31(32,33)34)18-25(23)37-28/h5-15,18,24H,3-4,16-17H2,1-2H3,(H,35,37)(H,38,40)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4	OIFYNNTYCLNZMN-UHFFFAOYSA-N
DG57239	Diethyl 2-((4-((3-(2-thienyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate	389674	NSC686051; CHEMBL1979375; NSC-686051; NCI60_031001; 2-[[4-[[3-(2-Thienyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid diethyl ester; Diethyl 2-((4-((3-(2-thienyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate; diethyl 2-[[4-[[3-(2-thienyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686051	.	.	.	.	532.6	C28H28N4O5S	148	793	4.6	38	2	9	13	"InChI=1S/C28H28N4O5S/c1-3-36-24(33)16-15-22(28(35)37-4-2)32-27(34)18-11-13-19(14-12-18)29-26-25(23-10-7-17-38-23)30-20-8-5-6-9-21(20)31-26/h5-14,17,22H,3-4,15-16H2,1-2H3,(H,29,31)(H,32,34)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4	OENAGNLKSKDYCC-UHFFFAOYSA-N
DG57240	Diethyl 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzoyl]amino]pentanedioate	389676	NSC686053; CHEMBL1973558; NSC-686053; diethyl 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzoyl]amino]pentanedioate; NCI60_031003; Diethyl 2-((4-((3-phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methoxy)benzoyl)amino)pentanedioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686053	.	.	.	.	609.6	C32H30F3N3O6	117	939	5.4	44	1	11	14	"InChI=1S/C32H30F3N3O6/c1-3-42-28(39)17-16-25(31(41)43-4-2)38-30(40)21-10-13-23(14-11-21)44-19-27-29(20-8-6-5-7-9-20)37-24-15-12-22(32(33,34)35)18-26(24)36-27/h5-15,18,25H,3-4,16-17,19H2,1-2H3,(H,38,40)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OCC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4	XSUPEQWLKDUWJK-UHFFFAOYSA-N
DG57241	"n-[6'-(Diethylamino)-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthen]-2'-yl]-n-phenylacetamide"	389678	"NSC686130; 34588-29-9; n-[6'-(diethylamino)-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthen]-2'-yl]-n-phenylacetamide; SCHEMBL6408907; CHEMBL1985952; DTXSID00956093; NSC-686130; NCI60_031005; Acetamide,9'-[9H]xanthen]-2'-yl]-N-phenyl-; 2'-(N-Acetylanilino)-6'-(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one; N-[6'-(diethylamino)-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-2'-yl]-N-phenyl-acetamide; Acetamide, N-[6'-(diethylamino)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]-N-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686130	.	.	.	.	504.6	C32H28N2O4	59.1	870	5.9	38	0	5	5	"InChI=1S/C32H28N2O4/c1-4-33(5-2)23-15-17-27-30(20-23)37-29-18-16-24(34(21(3)35)22-11-7-6-8-12-22)19-28(29)32(27)26-14-10-9-13-25(26)31(36)38-32/h6-20H,4-5H2,1-3H3"	CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)N(C6=CC=CC=C6)C(=O)C	LTRYPUNJHFFAMO-UHFFFAOYSA-N
DG57242	"N-(4-methoxyphenyl)-3-oxo-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide"	389689	"NSC686232; CHEMBL1996556; NSC-686232; N-(4-methoxyphenyl)-3-oxo-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide; NCI60_031015; 3-(3-(Diphenylamino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686232	.	.	.	.	504.6	C31H28N4O3	74.2	788	5.4	38	1	4	8	"InChI=1S/C31H28N4O3/c1-38-27-19-17-24(18-20-27)32-30(36)22-31(37)35-28(23-11-5-2-6-12-23)21-29(33-35)34(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20,28H,21-22H2,1H3,(H,32,36)"	COC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5	IVOHMCZNMFBXFE-UHFFFAOYSA-N
DG57243	"4-Chloro-N,N,5,6-tetramethylfuro[2,3-d]pyrimidin-2-amine"	389700	"NSC686266; CHEMBL1994592; 4-Chloro-N,N,5,6-tetramethylfuro[2,3-d]pyrimidin-2-amine; NSC-686266; NCI60_031025; 4-chloro-N,N,5,6-tetramethyl-furo[2,3-d]pyrimidin-2-amine; N-(4-Chloro-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-N,N-dimethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686266	.	.	.	.	225.67	C10H12ClN3O	42.2	239	3.1	15	0	4	1	InChI=1S/C10H12ClN3O/c1-5-6(2)15-9-7(5)8(11)12-10(13-9)14(3)4/h1-4H3	CC1=C(OC2=C1C(=NC(=N2)N(C)C)Cl)C	XFJDQRNARUDJLO-UHFFFAOYSA-N
DG57244	"5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one"	389710	"Aminoflavone; 165179-35-1; NSC-686288; UNII-2EXS38428U; 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one; 2EXS38428U; NSC686288; 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4h-chromen-4-one; 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methylchromen-4-one; NCIMech_000858; CHEMBL62006; SCHEMBL2411480; DTXSID50167854; CCG-35825; 4H-1-Benzopyran-4-one, 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-; NCI60_031035; 4H-1-Benzopyran-4-one,8-difluoro-7-methyl-; Q27254640; 5-Amino-2-(4-amino-3-fluoro-phenyl)-6,8-difluoro-7-methyl-chromen-4-one; 4H-1-Benzopyran-4-one,5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686288	.	.	.	.	320.27	C16H11F3N2O2	78.3	516	3	23	2	7	1	"InChI=1S/C16H11F3N2O2/c1-6-13(18)15(21)12-10(22)5-11(23-16(12)14(6)19)7-2-3-9(20)8(17)4-7/h2-5H,20-21H2,1H3"	CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)N)F)N)F	RTUZVPPGTJRELI-UHFFFAOYSA-N
DG57245	"(1S,7R,9R,10S,12S,14S)-7-methoxy-4,9,14-trimethyl-6,11,15-trioxapentacyclo[8.5.0.01,14.03,7.010,12]pentadec-3-en-5-one"	389711	NSC686291; CHEMBL1965783; NSC-686291; NCI60_031036	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686291	.	.	.	.	292.33	C16H20O5	60.6	626	0.6	21	0	5	1	"InChI=1S/C16H20O5/c1-8-5-14(18-4)10(9(2)12(17)20-14)6-15-13(3,21-15)7-11-16(8,15)19-11/h8,11H,5-7H2,1-4H3/t8-,11+,13+,14-,15+,16+/m1/s1"	C[C@@H]1C[C@@]2(C(=C(C(=O)O2)C)C[C@@]34[C@@]15[C@@H](O5)C[C@@]3(O4)C)OC	QHRGWKWECSOVCO-GADBJVALSA-N
DG57246	2-[(2-Hydroxy-5-methyl-phenyl)-(2-hydroxy-5-nitro-phenyl)methyl]-4-methyl-phenol	389722	"NSC686314; CHEMBL1974410; NSC-686314; NCI60_031050; Phenol, 2,2'-[(2-hydroxy-5-nitrophenyl)methylene]bis[4-methyl-; 2-[(2-hydroxy-5-methyl-phenyl)-(2-hydroxy-5-nitro-phenyl)methyl]-4-methyl-phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686314	.	.	.	.	365.4	C21H19NO5	107	483	4.8	27	3	5	3	"InChI=1S/C21H19NO5/c1-12-3-6-18(23)15(9-12)21(16-10-13(2)4-7-19(16)24)17-11-14(22(26)27)5-8-20(17)25/h3-11,21,23-25H,1-2H3"	CC1=CC(=C(C=C1)O)C(C2=C(C=CC(=C2)C)O)C3=C(C=CC(=C3)[N+](=O)[O-])O	CXFLPJFRXKVYSF-UHFFFAOYSA-N
DG57247	"1-Azido-3,3-bis(trifluoromethyl)-1$l^{3},2-benziodoxole"	389734	"NSC686325; CHEMBL1965642; NSC-686325; NCI60_031061; 1-azido-3,3-bis(trifluoromethyl)-1$l^{3},2-benziodoxole; [3,3-Bis(trifluoromethyl)-1,2-benziodoxol-1(3H)-yl] azide; 1-Azido-3,3-bis-trifluoromethyl-1,3-dihydro-1-lambda-~3~-benzo[d][1,2]iodoxole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686325	.	.	.	.	411.04	C9H4F6IN3O	23.6	418	5.6	20	0	9	1	"InChI=1S/C9H4F6IN3O/c10-8(11,12)7(9(13,14)15)5-3-1-2-4-6(5)16(20-7)18-19-17/h1-4H"	C1=CC=C2C(=C1)C(OI2N=[N+]=[N-])(C(F)(F)F)C(F)(F)F	IBIDEZMNINPQEO-UHFFFAOYSA-N
DG57248	"Benzoic acid, 2-chloro-4-[[(2-bromo-3,6-dioxo-1,4-cyclohexadienyl)methyl]amino]-, methyl ester"	389737	"NSC686334; CHEMBL2000739; ZINC1650442; NSC-686334; NCI60_031064; methyl 4-[(2-bromo-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methylamino]-2-chloro-benzoate; Benzoic acid, 2-chloro-4-[[(2-bromo-3,6-dioxo-1,4-cyclohexadienyl)methyl]amino]-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686334	.	.	.	.	384.61	C15H11BrClNO4	72.5	558	2.9	22	1	5	5	"InChI=1S/C15H11BrClNO4/c1-22-15(21)9-3-2-8(6-11(9)17)18-7-10-12(19)4-5-13(20)14(10)16/h2-6,18H,7H2,1H3"	COC(=O)C1=C(C=C(C=C1)NCC2=C(C(=O)C=CC2=O)Br)Cl	NCTUOWCNQBZFKG-UHFFFAOYSA-N
DG57249	"Methyl 5-[4-(4-chlorophenyl)-1,5-dihydro-1,3,4-benzotriazepin-2-yl]-5-oxo-pentanoate"	389742	"NSC686338; CHEMBL1969559; ZINC6379227; NSC-686338; NCI60_031068; methyl 5-[4-(4-chlorophenyl)-1,5-dihydro-1,3,4-benzotriazepin-2-yl]-5-oxo-pentanoate; Methyl 5-[5-(4-chlorophenyl)-4,5-dihydro-1H-1,3,4- benzotriazepin-2-yl)-5-oxopentanoate; Methyl 5-[5-(4-chlorophenyl)-4,5-dihydro-1H-1,3,4-benzotriazepin-2-yl)-5-oxopentanoate; delta-Oxo-4-(4-chlorophenyl)-4,5-dihydro-1H-1,3,4-benzotriazepine-2-pentanoic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686338	.	.	.	.	385.8	C20H20ClN3O3	71	561	3.4	27	1	5	7	"InChI=1S/C20H20ClN3O3/c1-27-19(26)8-4-7-18(25)20-22-17-6-3-2-5-14(17)13-24(23-20)16-11-9-15(21)10-12-16/h2-3,5-6,9-12H,4,7-8,13H2,1H3,(H,22,23)"	COC(=O)CCCC(=O)C1=NC2=CC=CC=C2CN(N1)C3=CC=C(C=C3)Cl	FXXRJHCLWCDREF-UHFFFAOYSA-N
DG57250	"Methyl 6-((4-chlorophenyl)hydrazono)-6-(2,6-dichloroanilino)-5-oxohexanoate"	389743	"NSC686339; CHEMBL1967706; NSC-686339; NCI60_031069; methyl (6E)-6-[(4-chlorophenyl)hydrazono]-6-(2,6-dichloroanilino)-5-oxo-hexanoate; Methyl 6-((4-chlorophenyl)hydrazono)-6-(2,6-dichloroanilino)-5-oxohexanoate; 5-Oxo-6-[(2,6-dichlorophenyl)amino]-6-[2-(4-chlorophenyl)hydrazono]hexanoic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686339	.	.	.	.	442.7	C19H18Cl3N3O3	79.8	544	5.7	28	2	5	10	"InChI=1S/C19H18Cl3N3O3/c1-28-17(27)7-3-6-16(26)19(23-18-14(21)4-2-5-15(18)22)25-24-13-10-8-12(20)9-11-13/h2,4-5,8-11,24H,3,6-7H2,1H3,(H,23,25)"	COC(=O)CCCC(=O)C(=NC1=C(C=CC=C1Cl)Cl)NNC2=CC=C(C=C2)Cl	ZNGKMCKMPJSQCC-UHFFFAOYSA-N
DG57251	"5-(4-Methoxyphenyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole"	389744	"NSC686340; 5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole; CHEMBL1981873; NSC-686340; NCI60_031070; 3-Pyrrolizino-5-(p-anisyl)-1,2,4-oxadiazole; 5-(4-Methoxyphenyl)-3-(1-pyrrolidinyl)-1,2,4-oxadiazole; Methyl 4-(3-(1-pyrrolidinyl)-1,2,4-oxadiazol-5-yl)phenyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686340	.	.	.	.	245.28	C13H15N3O2	51.4	263	2.7	18	0	5	3	"InChI=1S/C13H15N3O2/c1-17-11-6-4-10(5-7-11)12-14-13(15-18-12)16-8-2-3-9-16/h4-7H,2-3,8-9H2,1H3"	COC1=CC=C(C=C1)C2=NC(=NO2)N3CCCC3	BSVZHUXWBDKTRR-UHFFFAOYSA-N
DG57252	"Tetramethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate"	389753	"NSC686349; MLS002702363; SMR001565925; NCIMech_000774; cid_389753; CHEMBL1708074; BDBM80083; CCG-36148; NSC-686349; NCI60_031078; tetramethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate; 3''-ketospiro[1,3-dithiole-2,7''-dithiolo[4,3-b]thiopyran]-4,5,5'',6''-tetracarboxylic acid tetramethyl ester; 3''-oxospiro[1,3-dithiole-2,7''-dithiolo[4,3-b]thiopyran]-4,5,5'',6''-tetracarboxylic acid tetramethyl ester; 3-Oxospiro[4-thia-3H-1,2-benzodithiol-7(4H),2'-[1,3]dithiol]-4',5,5',6-tetracarboxylic acid tetramethyl ester; Spiro[1,3-dithiole-2,7'(3'H)-[1,2]dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylic acid, 3'-oxo-, tetramethyl ester; Spiro[1,7'(3'H)-[1,2]dithiolo[4,3-b]- thiopyran]-4,5,5',6'-tetracarboxylic acid, 3'-oxo-, tetramethyl ester; tetramethyl 3''-oxidanylidenespiro[1,3-dithiole-2,7''-[1,2]dithiolo[4,3-b]thiopyran]-4,5,5'',6''-tetracarboxylate; tetramethyl 3''-oxospiro[1,3-dithiole-2,7''-dithiolo[4,3-b]thiopyran]-4,5,5'',6''-tetracarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686349	.	.	.	.	508.6	C16H12O9S5	249	950	2.1	30	0	14	8	InChI=1S/C16H12O9S5/c1-22-11(17)5-6(12(18)23-2)26-9-10(29-30-15(9)21)16(5)27-7(13(19)24-3)8(28-16)14(20)25-4/h1-4H3	COC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OC)C(=O)OC)SSC2=O)C(=O)OC	HAODYRSOCXZKBJ-UHFFFAOYSA-N
DG57253	"5,8-Bis(2-dimethylaminoethylamino)benzo[f][1,3]benzothiazole-4,9-dione"	389763	"NSC686359; CHEMBL1974505; 5,8-bis(2-dimethylaminoethylamino)benzo[f][1,3]benzothiazole-4,9-dione; NSC-686359; NCI60_031088; 5,8-Bis-(2-dimethylamino-ethylamino)-naphtho[2,3-d]thiazole-4,9-dione; 5,8-Bis[[2-(dimethylamino)ethyl]amino]naphtho[2,3-d]thiazole-4,9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686359	.	.	.	.	387.5	C19H25N5O2S	106	544	3.7	27	2	8	8	"InChI=1S/C19H25N5O2S/c1-23(2)9-7-20-12-5-6-13(21-8-10-24(3)4)15-14(12)17(25)16-19(18(15)26)27-11-22-16/h5-6,11,20-21H,7-10H2,1-4H3"	CN(C)CCNC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(C2=O)N=CS3	JMDAJKDMUPMFLN-UHFFFAOYSA-N
DG57254	NSC686360	389764	"3,6,9,12,15-Pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23,25,27(41),30,34(40),35,37-dodecaene-40,41-diol; NSC686360; CHEMBL1971607; SCHEMBL12856706; NSC-686360; NCI60_031089; 1,3'-(2-Hydroxy-1,3-phenylenebismethylene)-1',3-(2-hydroxy-1,3-phenylenebismethylene)-2,2'-[oxybis(ethyleneoxyethyleneoxy)]dibenzene; 3,6,9,12,15-Pentaoxahexacyclo[15.15.7.1~23,27~.1~34,38~.0~2,29~.0~16,21~]hentetraconta-1,16,18,20,23(41),24,26,29,31,34(40),35,37-dodecaene-40,41-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686360	.	.	.	.	582.7	C36H38O7	86.6	703	6.2	43	2	7	0	"InChI=1S/C36H38O7/c37-33-25-5-1-6-26(33)22-30-10-4-12-32-24-28-8-2-7-27(34(28)38)23-31-11-3-9-29(21-25)35(31)42-19-17-40-15-13-39-14-16-41-18-20-43-36(30)32/h1-12,37-38H,13-24H2"	C1COCCOC2=C3CC4=C(C(=CC=C4)CC5=C(C(=CC=C5)CC6=CC=CC(=C6O)CC2=CC=C3)OCCOCCO1)O	ZBNAVRAQMVHOKL-UHFFFAOYSA-N
DG57255	"Quinoxaline, 6,7-dichloro-2-methyl-3-(methylthio)-, 1,4-dioxide"	389765	"NSC686361; 170806-10-7; Quinoxaline, 6,7-dichloro-2-methyl-3-(methylthio)-, 1,4-dioxide; NSC 686361; CHEMBL1972683; DTXSID70168949; NSC-686361; NCI60_031090; 6,7-dichloro-2-methyl-3-methylsulfanyl-1,4-dioxido-quinoxaline-1,4-diium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686361	.	.	.	.	291.15	C10H8Cl2N2O2S	71.7	377	2.4	17	0	4	1	"InChI=1S/C10H8Cl2N2O2S/c1-5-10(17-2)14(16)9-4-7(12)6(11)3-8(9)13(5)15/h3-4H,1-2H3"	CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)SC	DQTFWWOZEVXLON-UHFFFAOYSA-N
DG57256	N-(1-Adamantyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide	389766	NSC686362; CHEMBL1992253; N-(1-Adamantyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide; NSC-686362; NCI60_031091; N-(1-adamantyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxo-acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686362	.	.	.	.	352.4	C21H24N2O3	71.2	563	3.9	26	2	3	4	"InChI=1S/C21H24N2O3/c1-26-15-2-3-18-16(7-15)17(11-22-18)19(24)20(25)23-21-8-12-4-13(9-21)6-14(5-12)10-21/h2-3,7,11-14,22H,4-6,8-10H2,1H3,(H,23,25)"	COC1=CC2=C(C=C1)NC=C2C(=O)C(=O)NC34CC5CC(C3)CC(C5)C4	NJSPNPARGYCXSG-UHFFFAOYSA-N
DG57257	"6,8,10-Trimethylpurino[7,8-a]quinazoline-5,9,11-trione"	389767	"NSC686363; CHEMBL1990332; 6,8,10-trimethylpurino[7,8-a]quinazoline-5,9,11-trione; 6,8,10-Trimethylpurino[7,8-a]quinazoline-5,9,11(6H,8H,10H)-trione; NSC-686363; NCI60_031092; Purino[7,9,11-trione, 6,8,10-trimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686363	.	.	.	.	311.3	C15H13N5O3	78.8	582	0.7	23	0	4	0	"InChI=1S/C15H13N5O3/c1-17-11-10(13(22)19(3)15(17)23)20-9-7-5-4-6-8(9)12(21)18(2)14(20)16-11/h4-7H,1-3H3"	CN1C2=C(C(=O)N(C1=O)C)N3C4=CC=CC=C4C(=O)N(C3=N2)C	PESRKTGIPJCHCL-UHFFFAOYSA-N
DG57258	"1,3,5-Trimethylpurino[8,9-b]quinazoline-2,4,11-trione"	389768	"NSC686364; CHEMBL1987714; 1,3,5-trimethylpurino[8,9-b]quinazoline-2,4,11-trione; 1,3,5-Trimethyl-1,5-dihydropurino[8,9-b]quinazoline-2,4,11(3H)-trione; NSC-686364; NCI60_031093"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686364	.	.	.	.	311.3	C15H13N5O3	76.5	697	0	23	0	4	0	"InChI=1S/C15H13N5O3/c1-17-10-11(18(2)15(23)19(3)13(10)22)20-12(21)8-6-4-5-7-9(8)16-14(17)20/h4-7H,1-3H3"	CN1C2=C(N(C(=O)N(C2=O)C)C)N3C1=NC4=CC=CC=C4C3=O	JAAQXDSRVIXPKG-UHFFFAOYSA-N
DG57259	"N-(3-cyano-9,14-dioxo-9,14-dihydronaphtho[2,3-b]thieno[2,3-d][1]benzoxepin-2-yl)-2,2,2-trifluoroacetamide"	389769	"NSC686365; NSC-686365; CHEMBL1372282; NCIStruc1_001670; NCIStruc2_001937; N-(3-cyano-9,14-dioxo-9,14-dihydronaphtho[2,3-b]thieno[2,3-d][1]benzoxepin-2-yl)-2,2,2-trifluoroacetamide; ZINC1650465; BDBM50011358; CCG-37510; NCGC00014988; NCI686365; NCGC00014988-02; NCGC00098088-01; NCI60_031094; N-[cyano(dioxo)[ ]yl]-2,2,2-trifluoro-acetamide; Naphtho[2,3-d][1]benzoxepin, 3-cyano-2-trifluoroacetamido-9,14-dihydro-9,14-dioxo-; 158529-58-9; Acetamide,14-dihydro-9,14-dioxonaphtho[2,3-b]thieno[2,3-d][1]benzoxepin-2-yl)-2,2,2-trifluoro-; N-(3-cyano-9,14-dioxobenzo[f]naphtho[2,3-b]thiopheno[2,3-d]oxepin-2-yl)-2,2,2-trifluoroacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686365	.	.	.	.	466.4	C23H9F3N2O4S	125	971	5.1	33	1	9	1	"InChI=1S/C23H9F3N2O4S/c24-23(25,26)22(31)28-21-13(9-27)15-12-7-3-4-8-14(12)32-19-16(20(15)33-21)17(29)10-5-1-2-6-11(10)18(19)30/h1-8H,(H,28,31)"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC4=CC=CC=C4C5=C3SC(=C5C#N)NC(=O)C(F)(F)F	YVHLTFVHTRFJQO-UHFFFAOYSA-N
DG57260	"2-[(5-Anilino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-3-ethyl-quinazolin-4-one"	389773	"NSC686368; CHEMBL1973878; NSC-686368; NCI60_031097; Quinazolin-4(3H)-one,3,4-thiadiazol-2-yl]methyl]thio]-; 2-(((5-Anilino-1,3,4-thiadiazol-2-yl)methyl)thio)-3-ethyl-4(3H)-quinazolinone; 2-[(5-anilino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-3-ethyl-quinazolin-4-one; 2-[(5-Anilino-1,3,4-thiadiazol-2-yl)methylthio]-3-ethylquinazolin-4(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686368	.	.	.	.	395.5	C19H17N5OS2	124	554	4	27	1	7	6	"InChI=1S/C19H17N5OS2/c1-2-24-17(25)14-10-6-7-11-15(14)21-19(24)26-12-16-22-23-18(27-16)20-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,20,23)"	CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NN=C(S3)NC4=CC=CC=C4	PBLQCZANCHMAIS-UHFFFAOYSA-N
DG57261	2-Methoxy-3-methyl-6-((triphenylphosphoranylidene)amino)-4(3H)-pyrimidinone	389798	NSC686402; CHEMBL1982353; ZINC73242070; NSC-686402; NCI60_031120; 2-Methoxy-3-methyl-6-((triphenylphosphoranylidene)amino)-4(3H)-pyrimidinone; 2-methoxy-3-methyl-6-[(triphenyl-$l^{5}-phosphanylidene)amino]pyrimidin-4-one; 6-[(Triphenylphosphoranediyl)amino]-3-methyl-2-(methyloxy)pyrimidine-4(3H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686402	.	.	.	.	415.4	C24H22N3O2P	54.3	674	4.6	30	0	4	5	"InChI=1S/C24H22N3O2P/c1-27-23(28)18-22(25-24(27)29-2)26-30(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3"	CN1C(=O)C=C(N=C1OC)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4	RMPJGFBVJTXLRV-UHFFFAOYSA-N
DG57262	2-phenyl-3-[(3E)-2-phenyl-3-(p-tolylimino)inden-1-yl]sulfanyl-N-(p-tolyl)inden-1-imine	389841	"NSC686473; CHEMBL1999534; NSC-686473; NCI60_031163; 1H-Inden-1-imine,3'-(thio)bis[N-(4-methylphenyl)-2-phenyl-; 2-phenyl-3-[(3E)-2-phenyl-3-(p-tolylimino)inden-1-yl]sulfanyl-N-(p-tolyl)inden-1-imine; 4-Methyl-N-(3-((1-((4-methylphenyl)imino)-2-phenyl-1H-inden-3-yl)thio)-2-phenyl-1H-inden-1-ylidene)aniline; N-(4-Methylphenyl)-N-(3-((1-((4-methylphenyl)imino)-2-phenyl-1H-inden-3-yl)thio)-2-phenyl-1H-inden-1-ylidene)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686473	.	.	.	.	620.8	C44H32N2S	50	1120	11.1	47	0	3	6	"InChI=1S/C44H32N2S/c1-29-21-25-33(26-22-29)45-41-35-17-9-11-19-37(35)43(39(41)31-13-5-3-6-14-31)47-44-38-20-12-10-18-36(38)42(40(44)32-15-7-4-8-16-32)46-34-27-23-30(2)24-28-34/h3-28H,1-2H3"	CC1=CC=C(C=C1)N=C2C3=CC=CC=C3C(=C2C4=CC=CC=C4)SC5=C(C(=NC6=CC=C(C=C6)C)C7=CC=CC=C75)C8=CC=CC=C8	VYFOGUNXZDMDLW-UHFFFAOYSA-N
DG57263	(3E)-3-(2-naphthylimino)-2-[(3E)-3-(2-naphthylimino)-2-phenyl-inden-1-yl]-2-phenyl-indan-1-one	389849	"NSC686481; CHEMBL1979146; NSC-686481; NCI60_031171; [2,1'-diimine, 2,3-dihydro-N,N'-bis(2-naphthyl)-3-oxo-; (3E)-3-(2-naphthylimino)-2-[(3E)-3-(2-naphthylimino)-2-phenyl-inden-1-yl]-2-phenyl-indan-1-one; [2,3'-Bi-1H-inden]-1-one, 2,3-dihydro-1',3-bis(2-naphthalenylimino)-2,2'-diphenyl-, (1'E,3E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686481	.	.	.	.	676.8	C50H32N2O	41.8	1430	11.9	53	0	3	5	"InChI=1S/C50H32N2O/c53-49-44-26-14-13-25-43(44)48(52-40-30-28-34-16-8-10-20-37(34)32-40)50(49,38-21-5-2-6-22-38)46-41-23-11-12-24-42(41)47(45(46)35-17-3-1-4-18-35)51-39-29-27-33-15-7-9-19-36(33)31-39/h1-32H"	C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=NC4=CC5=CC=CC=C5C=C4)C6(C(=NC7=CC8=CC=CC=C8C=C7)C9=CC=CC=C9C6=O)C1=CC=CC=C1	QPTSGPSUJRZTRF-UHFFFAOYSA-N
DG57264	"4-chloro-N-(4-phenyl-1,2,5-oxadiazol-3-yl)dithiazol-5-imine"	389851	"NSC686483; CHEMBL1980180; 4-chloro-N-(4-phenyl-1,2,5-oxadiazol-3-yl)dithiazol-5-imine; NSC-686483; NCI60_031173; N-(4-Chloro-5H-1,2,3-dithiazol-5-ylidene)-4-phenyl-1,2,5-oxadiazol-3-amine; N-(4-Chloro-5H-1,2,3-dithiazol-5-ylidene)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686483	.	.	.	.	296.8	C10H5ClN4OS2	114	373	3.3	18	0	7	2	InChI=1S/C10H5ClN4OS2/c11-8-10(17-18-15-8)12-9-7(13-16-14-9)6-4-2-1-3-5-6/h1-5H	C1=CC=C(C=C1)C2=NON=C2N=C3C(=NSS3)Cl	WCIRXCZEQPSVTH-UHFFFAOYSA-N
DG57265	"3,3-Bis(8-hydroxy-7-methyl-5-quinolyl)isobenzofuran-1-one"	389858	"NSC686489; CBChromo1_000323; CBDivE_010102; CHEMBL1983830; NSC-686489; NCI60_031179; 3,3-bis(8-hydroxy-7-methyl-5-quinolyl)isobenzofuran-1-one; 3,3-Bis(8-hydroxy-7-methyl-5-quinolinyl)-2-benzofuran-1(3H)-one; 8-Quinolinol,5'-(1,3-dihydro-3-oxo- 1,1-isobenzofurandiyl)bis[7-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686489	.	.	.	.	448.5	C28H20N2O4	92.5	734	5.1	34	2	6	2	"InChI=1S/C28H20N2O4/c1-15-13-21(17-8-5-11-29-23(17)25(15)31)28(20-10-4-3-7-19(20)27(33)34-28)22-14-16(2)26(32)24-18(22)9-6-12-30-24/h3-14,31-32H,1-2H3"	CC1=CC(=C2C=CC=NC2=C1O)C3(C4=CC=CC=C4C(=O)O3)C5=C6C=CC=NC6=C(C(=C5)C)O	KBNVZXWRVJSFSI-UHFFFAOYSA-N
DG57266	"4,5,5-Trichloro-5H-1,2,3-dithiazole"	389862	"NSC686492; 4,5,5-Trichloro-5H-1,2,3-dithiazole; 4,5,5-trichlorodithiazole; CHEMBL1973409; NSC-686492; NCI60_031182"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686492	.	.	.	.	208.5	C2Cl3NS2	63	133	2.8	8	0	3	0	"InChI=1S/C2Cl3NS2/c3-1-2(4,5)7-8-6-1"	C1(=NSSC1(Cl)Cl)Cl	ZDDROOBZDZTOJV-UHFFFAOYSA-N
DG57267	"(3S)-Benzyl-3-(2,4,6-tetra-O-pivaloyl-beta-D-glucopyranosyloxy)butanoate"	389868	"NSC686496; CHEMBL2007119; NSC-686496; NCI60_031186; (3S)-Benzyl-3-(2,4,6-tetra-O-pivaloyl-.beta.-D- glucopyranosyloxy)butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686496	.	.	.	.	692.8	C37H56O12	150	1140	7	49	0	12	20	"InChI=1S/C37H56O12/c1-22(19-25(38)43-20-23-17-15-14-16-18-23)45-29-28(49-33(42)37(11,12)13)27(48-32(41)36(8,9)10)26(47-31(40)35(5,6)7)24(46-29)21-44-30(39)34(2,3)4/h14-18,22,24,26-29H,19-21H2,1-13H3/t22-,24 ,26 ,27 ,28 ,29 /m0/s1"	C[C@@H](CC(=O)OCC1=CC=CC=C1)OC2C(C(C(C(O2)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C	ZEHQEJIJYNWKGP-GPBXFXGDSA-N
DG57268	"(3S)-3-(2,3,4,6-Tetra-O-pivaloyl-beta-D-glucopyranosyloxy)-1-butanol"	389870	"NSC686498; CHEMBL1987437; NSC-686498; NCI60_031188; (3S)-3-(2,3,4,6-Tetra-O-pivaloyl-beta-D-glucopyranosyloxy)-1-butanol; (3S)-3-(2,4,6-Tetra-O-pivaloyl-.beta.-D-glucopyranosyloxy)-1-butanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686498	.	.	.	.	588.7	C30H52O11	144	915	5.4	41	1	11	17	"InChI=1S/C30H52O11/c1-17(14-15-31)37-22-21(41-26(35)30(11,12)13)20(40-25(34)29(8,9)10)19(39-24(33)28(5,6)7)18(38-22)16-36-23(32)27(2,3)4/h17-22,31H,14-16H2,1-13H3/t17-,18 ,19 ,20 ,21 ,22 /m0/s1"	C[C@@H](CCO)OC1C(C(C(C(O1)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C	XHDHXJYDGGPACD-JOYQUEBISA-N
DG57269	6-Benzyloxyhexanal	389877	"101492-91-5; 6-(Benzyloxy)hexanal; 6-benzyloxyhexanal; 6-phenylmethoxyhexanal; 6-BENZYLOXY-HEXANAL; Hexanal, 6-(phenylmethoxy)-; NSC686505; 6-benzyloxy-1-hexanal; 6-benzyloxyhexan-1-al; SCHEMBL711369; CHEMBL1964877; DTXSID80327787; ZINC1650560; MFCD09032481; AKOS015965613; NSC-686505; NCI60_031195; P16981"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686505	.	.	.	.	206.28	C13H18O2	26.3	151	2.1	15	0	2	8	"InChI=1S/C13H18O2/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h3-5,8-10H,1-2,6-7,11-12H2"	C1=CC=C(C=C1)COCCCCCC=O	OKBHPVOFRDHZPQ-UHFFFAOYSA-N
DG57270	"(R)-[1,1'-Binaphthalene]-2,2'-diyl bis(trifluoromethanesulfonate)"	389883	"126613-06-7; 128544-05-8; (R)-[1,1'-Binaphthalene]-2,2'-diyl bis(trifluoromethanesulfonate); 128575-34-8; (S)-[1,1'-Binaphthalene]-2,2'-diyl bis(trifluoromethanesulfonate); (R)-(-)-1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate); (S)-(+)-1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate); C22H12F6O6S2; MFCD00274615; NSC686511; (R)-1,1'-Binaphthyl-2,2'-diyl bis(trifluoromethane)sulphonate; [1,1'-binaphthalene]-2,2'-diyl bis(trifluoromethanesulfonate); 1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate); [1-[2-(trifluoromethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] trifluoromethanesulfonate; (R)-(-)-1,1'-Binaphthol-2,2'-bis(trifluoromethanesulfonate); (S)-1,1'-Bi(2-naphthol) bis(trifluoromethanesulfonate); (R)-(-)-1,1'-Binaphthyl-2,2'-diyl Bis(trifluoromethanesulfonate); (S)-(+)-1,1/'-Binaphthol-2,2/'-bis(trifluoromethanesulfonate); (S)-[1,1-Binaphthalene]-2,2-diyl bis(trifluoromethanesulfonate); Methanesulfonic acid, trifluoro-, (1,1'-binaphthalene)-2,2'-diyl ester; (R)-(-)-1,1'-Bi-2-naphthyl bis-trifluoromethanesulfonate; (R)-(-)-1,1/'-Binaphthol-2,2/'-bis(trifluoromethanesulfonate); (S)-(+)-1,1'-Binaphthol-2,2'-bis(trifluoromethanesulfonate); Methanesulfonic acid, trifluoro-, [1,1'-binaphthalene]-2,2'-diyl ester; WITHAFERINA; NSC 686511; SCHEMBL635407; CHEMBL1984394; 1,1'-binaphthyl-2,2'-diyl bis(trifluoromethanesulfonate); DTXSID10155257; (S)-(+)-1,1-Binaphthol-2,2-Bis(Trifluoromethanesulfonate); AMY28646; BCP32264; ZINC73335969; AKOS015889276; AC-8072; AC-8073; NSC-686511; SC11845; [1-[2-(trifluoromethylsulfonyloxy)-1-naphthyl]-2-naphthyl] trifluoromethanesulfonate; BS-14878; NCI60_031201; 5-ACETYL-INDOLE-3-CARBOXYLIC ACID; CS-0031304; FT-0605118; FT-0605289; FT-0606059; Z6117; Z6118; J3.596.333B; D88910; E77910; 613B067; A805576; A805844; A805933; A889009; 1,1'-Bi[2-(trifluoromethylsulfonyloxy)naphthalene]; J-005408; J-005606; J-005609; 1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate), 97%; 2,2'-bis(trifluoromethanesulfonyl-oxy)-1,1'-binaphthyl; 2,2'-bis(trifluoromethanesulfonyloxy)-1,1'-binaphthyl; 2,2'-bis(trifluoromethanesulfonyloxy)-1,1'-binaphthalene; (aR)-2,2'-Bis(trifluoromethylsulfonyloxy)-1,1'-binaphthalene; (R)-(-)-1,1''-Bi-2-naphthol bis(trifluoromethanesulfonate); (aS)-1,1'-Binaphthalene-2,2'-diyl=bis(trifluoromethanesulfonate); (R)-(-)-1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate), 97%; (R)-(-)-1,1\\'-Binaphthol-2,2\\'-bis(trifluoromethanesulfonate); (R)-(-9-1,1'-Binaphthyl-2,2'-diyl bis(trifluoromethanesulfonate); (S)-(+)-1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate), 97%; (S)-(+)-1,1'-Binaphthyl-2,2'-diyl Bis(trifluoromethanesulfonate); (S)-1,1'-Binaphthalene-2,2'-diyl bis(trifluoromethanesulfonate); (R)-(-)-1,1\\'-BI-2-NAPHTHOL BIS(TRIFLUOROMETHANESULFONATE); 1,1 inverted exclamation marka-Bi-2-naphthol bis(trifluoromethanesulfonate); Methanesulfonic acid, 1,1,1-trifluoro-, 1,1'-(1S)-[1,1'-binaphthalene]-2,2'-diyl ester; Methanesulfonic acid,1,1,1-trifluoro-,1,1'-[1,1'-binaphthalene]-2,2'-diyl ester; [1-[2-(trifluoromethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] tris(fluoranyl)methanesulfonate; trifluoromethanesulfonic acid [1-[2-(trifluoromethylsulfonyloxy)-1-naphthalenyl]-2-naphthalenyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686511	.	.	.	.	550.5	C22H12F6O6S2	104	905	7.6	36	0	12	5	"InChI=1S/C22H12F6O6S2/c23-21(24,25)35(29,30)33-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)34-36(31,32)22(26,27)28/h1-12H"	C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F	OYJLCOSEYYZULE-UHFFFAOYSA-N
DG57271	Bis((diphenylphosphino)ethynyl)(phenyl)phosphine	389884	NSC686512; CHEMBL2003572; ZINC1650567; NSC-686512; NCI60_031202; Bis((diphenylphosphino)ethynyl)(phenyl)phosphine; bis(2-diphenylphosphanylethynyl)-phenyl-phosphane	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686512	.	.	.	.	526.5	C34H25P3	0	697	8.3	37	0	0	9	InChI=1S/C34H25P3/c1-6-16-30(17-7-1)35(26-28-36(31-18-8-2-9-19-31)32-20-10-3-11-21-32)27-29-37(33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25H	C1=CC=C(C=C1)P(C#CP(C2=CC=CC=C2)C3=CC=CC=C3)C#CP(C4=CC=CC=C4)C5=CC=CC=C5	VMFVZCXWMPAYDX-UHFFFAOYSA-N
DG57272	Salvilenone	389885	"Salvilenone; NSC686514; CHEMBL1997332; NSC-686514; NCI60_031204; 9-Isopropyl-2,2,5-trimethylphenaleno[1,9-bc]furan-8(2H)-one; 57517-08-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686514	.	.	.	.	292.4	C20H20O2	26.3	542	4.5	22	0	2	1	"InChI=1S/C20H20O2/c1-10(2)15-18(21)13-7-6-11(3)12-8-9-14-17(16(12)13)19(15)22-20(14,4)5/h6-10H,1-5H3"	CC1=C2C=CC3=C4C2=C(C=C1)C(=O)C(=C4OC3(C)C)C(C)C	WDBJFWOOWQREKA-UHFFFAOYSA-N
DG57273	Neocryptotanshinone	389888	"Neocryptotanshinone; (+)-Neocryptotanshinone; 109664-02-0; NSC686517; 1-hydroxy-2-[(2R)-1-hydroxypropan-2-yl]-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione; CHEMBL1974436; ZINC18083780; NSC-686517; AC-34912; NCI60_031207; HY-119720; CS-0077856; (R)-3-Hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-1,4-dione; 1,4-Phenanthrenedione, 5,6,7,8-tetrahydro-3-hydroxy-2-[(1R)-2-hydroxy-1-methylethyl]-8,8-dimethyl-; 3-hydroxy-2-[(1R)-2-hydroxy-1-methyl-ethyl]-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686517	.	.	.	.	314.4	C19H22O4	74.6	560	3	23	2	4	2	"InChI=1S/C19H22O4/c1-10(9-20)14-16(21)12-6-7-13-11(5-4-8-19(13,2)3)15(12)18(23)17(14)22/h6-7,10,20-21H,4-5,8-9H2,1-3H3/t10-/m0/s1"	C[C@@H](CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O	LGZFJHSOBYVDLA-JTQLQIEISA-N
DG57274	MEK Inhibitor II	389898	"MEK Inhibitor II; 623163-52-0; NSC686549; 2-Chloro-3-(N-succinimidyl)-1,4-naphthoquinone; NSC-686549; CHEMBL404939; GTPL6007; SCHEMBL12618420; DTXSID40327788; 1-(3-chloro-1,4-dioxonaphthalen-2-yl)pyrrolidine-2,5-dione; HMS3229K16; BDBM50375664; HSCI1_000187; 1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)pyrrolidine-2,5-dione; CCG-206866; NCI60_031219; J3.554.829G; Q27084183; 2-(2,5-Dioxopyrrolizino)-3-chloronaphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686549	.	.	.	.	289.67	C14H8ClNO4	71.5	550	1.3	20	0	4	1	"InChI=1S/C14H8ClNO4/c15-11-12(16-9(17)5-6-10(16)18)14(20)8-4-2-1-3-7(8)13(11)19/h1-4H,5-6H2"	C1CC(=O)N(C1=O)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl	GYQSWJNGTWVFOL-UHFFFAOYSA-N
DG57275	"N-butanoyl-N-(3-chloro-1,4-dioxonaphthalen-2-yl)butanamide"	389899	"NSC686550; CHEMBL1984208; SCHEMBL14972340; BDBM240700; N-butanoyl-N-(3-chloro-1,4-dioxonaphthalen-2-yl)butanamide; ZINC1650602; US9422231, IMDNQ3; NSC-686550; NCI60_031220; J3.554.830K; 2-(Dibutanoylamino)-3-chloronaphthalene-1,4-dione; Butanamide,4-dioxo-2-naphthalenyl)- N-(1-oxobutyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686550	.	.	.	.	347.8	C18H18ClNO4	71.5	578	3.3	24	0	4	5	"InChI=1S/C18H18ClNO4/c1-3-7-13(21)20(14(22)8-4-2)16-15(19)17(23)11-9-5-6-10-12(11)18(16)24/h5-6,9-10H,3-4,7-8H2,1-2H3"	CCCC(=O)N(C1=C(C(=O)C2=CC=CC=C2C1=O)Cl)C(=O)CCC	KIHGVJLEFGJROI-UHFFFAOYSA-N
DG57276	"3-Chloro-2-(dibenzoylamino)-1,4-naphthoquinone"	389900	"NSC686551; CHEMBL2003670; SCHEMBL14662922; NSC-686551; NCI60_031221; 3-Chloro-2-(dibenzoylamino)-1,4-naphthoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686551	.	.	.	.	415.8	C24H14ClNO4	71.5	731	5	30	0	4	3	InChI=1S/C24H14ClNO4/c25-19-20(22(28)18-14-8-7-13-17(18)21(19)27)26(23(29)15-9-3-1-4-10-15)24(30)16-11-5-2-6-12-16/h1-14H	C1=CC=C(C=C1)C(=O)N(C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C(=O)C4=CC=CC=C4	FLNYCOQJVVSTHM-UHFFFAOYSA-N
DG57277	"1-(3-Chloro-1,4-dioxonaphthalen-2-yl)piperidine-2,6-dione"	389901	NSC686552; CHEMBL1979339; SCHEMBL14669486; NSC-686552; NCI60_031222	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686552	.	.	.	.	303.69	C15H10ClNO4	71.5	564	1.6	21	0	4	1	"InChI=1S/C15H10ClNO4/c16-12-13(17-10(18)6-3-7-11(17)19)15(21)9-5-2-1-4-8(9)14(12)20/h1-2,4-5H,3,6-7H2"	C1CC(=O)N(C(=O)C1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl	QTHHGAHSASFCMR-UHFFFAOYSA-N
DG57278	"2-[3-(chloromethyl)-6-nitro-2,3-dihydroindole-1-carbonyl]-N-(2-morpholin-4-ylethyl)-1H-indole-6-carboxamide;hydrochloride"	389903	NSC686557; SCHEMBL8485275; CHEMBL2002670; NSC-686557	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686557	.	.	.	.	548.4	C25H27Cl2N5O5	124	821	.	37	3	6	6	"InChI=1S/C25H26ClN5O5.ClH/c26-14-18-15-30(23-13-19(31(34)35)3-4-20(18)23)25(33)22-11-16-1-2-17(12-21(16)28-22)24(32)27-5-6-29-7-9-36-10-8-29;/h1-4,11-13,18,28H,5-10,14-15H2,(H,27,32);1H"	C1COCCN1CCNC(=O)C2=CC3=C(C=C2)C=C(N3)C(=O)N4CC(C5=C4C=C(C=C5)[N+](=O)[O-])CCl.Cl	BYHCSCWHAUNYTQ-UHFFFAOYSA-N
DG57279	"[Di-17alpha/beta-(2-ethoxy-3-hydroxyestra-1,5(10)-triene)-]sulphite"	389907	"NSC686560; CHEMBL1985806; NSC-686560; [Di-17.alpha./.beta.-(2-ethoxy-3-hydroxyestra-1,5(10)-triene)-]sulphite"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686560	.	.	.	.	767	C44H62O9S	140	1130	.	54	2	10	10	"InChI=1S/C40H54O7S.C4H8O2/c1-5-44-35-21-29-23(19-33(35)41)7-9-27-25(29)15-17-39(3)31(27)11-13-37(39)46-48(43)47-38-14-12-32-28-10-8-24-20-34(42)36(45-6-2)22-30(24)26(28)16-18-40(32,38)4;1-3-6-4(2)5/h19-22,25-28,31-32,37-38,41-42H,5-18H2,1-4H3;3H2,1-2H3/t25-,26+,27+,28-,31-,32+,37 ,38 ,39-,40+,48 ;"	CCOC1=C(C=C2CC[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CCC4OS(=O)OC5CC[C@H]6[C@]5(CC[C@@H]7[C@@H]6CCC8=CC(=C(C=C78)OCC)O)C)C)O.CCOC(=O)C	WDIILFBAERMRLN-ULBQJDBASA-N
DG57280	"Isopropyl 2-chloro-4-((2,5-dihydroxybenzyl)amino)benzoate"	389909	"NSC686561; MLS002702365; SCHEMBL461117; CHEMBL1713163; ZINC1650609; NSC-686561; NCI60_031227; SMR001565927; Isopropyl 2-chloro-4-((2,5-dihydroxybenzyl)amino)benzoate; isopropyl 2-chloro-4-[(2,5-dihydroxyphenyl)methylamino]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686561	.	.	.	.	335.8	C17H18ClNO4	78.8	393	4	23	3	5	6	"InChI=1S/C17H18ClNO4/c1-10(2)23-17(22)14-5-3-12(8-15(14)18)19-9-11-7-13(20)4-6-16(11)21/h3-8,10,19-21H,9H2,1-2H3"	CC(C)OC(=O)C1=C(C=C(C=C1)NCC2=C(C=CC(=C2)O)O)Cl	KYIFXDFKSZAPFG-UHFFFAOYSA-N
DG57281	"3-(9H-Fluoren-9-yl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide"	389910	"NSC686562; 3-(9H-Fluoren-9-yl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide; SCHEMBL708185; CHEMBL1971235; NSC-686562; NCI60_031228"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686562	.	.	.	.	366.4	C16H14O6S2	104	616	2.1	24	0	6	1	"InChI=1S/C16H14O6S2/c17-23(18)16(24(19,20)22-10-9-21-23)15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2"	C1COS(=O)(=O)C(S(=O)(=O)O1)C2C3=CC=CC=C3C4=CC=CC=C24	PKRRPLNMRRULFN-UHFFFAOYSA-N
DG57282	"N-[2-[3,5-bis(phenylmethoxy)phenyl]ethyl]-3-(3,4-dihydroxyphenyl)propanamide"	389930	NSC686583; CHEMBL1979315; NSC-686583; NCI60_031247	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686583	.	.	.	.	497.6	C31H31NO5	88	618	5.6	37	3	5	12	"InChI=1S/C31H31NO5/c33-29-13-11-23(19-30(29)34)12-14-31(35)32-16-15-26-17-27(36-21-24-7-3-1-4-8-24)20-28(18-26)37-22-25-9-5-2-6-10-25/h1-11,13,17-20,33-34H,12,14-16,21-22H2,(H,32,35)"	C1=CC=C(C=C1)COC2=CC(=CC(=C2)CCNC(=O)CCC3=CC(=C(C=C3)O)O)OCC4=CC=CC=C4	QKKASNALDDWHGW-UHFFFAOYSA-N
DG57283	"3-(3,4-dihydroxyphenyl)-N-[2-(3-hydroxy-5-phenylmethoxyphenyl)ethyl]propanamide"	389932	NSC686585; CHEMBL1995461; NSC-686585; NCI60_031249	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686585	.	.	.	.	407.5	C24H25NO5	99	510	3.8	30	4	5	9	"InChI=1S/C24H25NO5/c26-20-12-19(13-21(15-20)30-16-18-4-2-1-3-5-18)10-11-25-24(29)9-7-17-6-8-22(27)23(28)14-17/h1-6,8,12-15,26-28H,7,9-11,16H2,(H,25,29)"	C1=CC=C(C=C1)COC2=CC(=CC(=C2)O)CCNC(=O)CCC3=CC(=C(C=C3)O)O	DUWUHECAAPSYBK-UHFFFAOYSA-N
DG57284	"2-(4-Methyl-1,3-thiazol-2-yl)-N-phenylhydrazinecarboxamide"	389951	"NSC686654; 2-(4-Methyl-1,3-thiazol-2-yl)-N-phenylhydrazinecarboxamide; CHEMBL1984552; ZINC1415126; STL436610; AKOS005221473; MCULE-1468338441; NSC-686654; NCI60_031267; 1-[(4-methylthiazol-2-yl)amino]-3-phenyl-urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686654	.	.	.	.	248.31	C11H12N4OS	94.3	258	2.6	17	3	4	3	"InChI=1S/C11H12N4OS/c1-8-7-17-11(12-8)15-14-10(16)13-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,15)(H2,13,14,16)"	CC1=CSC(=N1)NNC(=O)NC2=CC=CC=C2	XXWCVEGUTRGGAV-UHFFFAOYSA-N
DG57285	"2,2,2-Trifluoro-N'-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide"	389952	"NSC686655; 2,2,2-Trifluoro-N'-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide; CHEMBL1981153; ZINC1415025; STL436708; AKOS005219782; MCULE-7481663623; NSC-686655; NCI60_031268; 2,2,2-trifluoro-N'-(4-phenylthiazol-2-yl)acetohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686655	.	.	.	.	287.26	C11H8F3N3OS	82.3	321	3.6	19	2	7	3	"InChI=1S/C11H8F3N3OS/c12-11(13,14)9(18)16-17-10-15-8(6-19-10)7-4-2-1-3-5-7/h1-6H,(H,15,17)(H,16,18)"	C1=CC=C(C=C1)C2=CSC(=N2)NNC(=O)C(F)(F)F	ALLLYMWJRWSPIZ-UHFFFAOYSA-N
DG57286	"2-Benzylsulfanylimidazo[2,1-a]isoquinoline-3-carbohydrazide"	389955	"NSC686658; CHEMBL1986992; 2-benzylsulfanylimidazo[2,1-a]isoquinoline-3-carbohydrazide; NSC-686658; NCI60_031271; 2-(Benzylthio)imidazo[2,1-a]isoquinoline-3-carbohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686658	.	.	.	.	348.4	C19H16N4OS	97.7	470	4.2	25	2	4	4	"InChI=1S/C19H16N4OS/c20-22-18(24)16-19(25-12-13-6-2-1-3-7-13)21-17-15-9-5-4-8-14(15)10-11-23(16)17/h1-11H,12,20H2,(H,22,24)"	C1=CC=C(C=C1)CSC2=C(N3C=CC4=CC=CC=C4C3=N2)C(=O)NN	PKLMMYXNFAOWAQ-UHFFFAOYSA-N
DG57287	"Ethyl 2-(2,4-dinitrophenyl)sulfanylimidazo[2,1-a]isoquinoline-3-carboxylate"	389956	"NSC686659; Oprea1_727461; CHEMBL1982177; ZINC13218767; ethyl 2-(2,4-dinitrophenyl)sulfanylimidazo[2,1-a]isoquinoline-3-carboxylate; MCULE-1062791072; NSC-686659; NCI60_031272; AF-407/32638012; 2-(2,4-Dinitro-phenylsulfanyl)-imidazo[2,1-a]isoquinoline-3-carboxylic acid ethyl ester; ethyl 2-({2,4-bisnitrophenyl}sulfanyl)imidazo[2,1-a]isoquinoline-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686659	.	.	.	.	438.4	C20H14N4O6S	161	700	5.6	31	0	8	5	"InChI=1S/C20H14N4O6S/c1-2-30-20(25)17-19(21-18-14-6-4-3-5-12(14)9-10-22(17)18)31-16-8-7-13(23(26)27)11-15(16)24(28)29/h3-11H,2H2,1H3"	CCOC(=O)C1=C(N=C2N1C=CC3=CC=CC=C32)SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]	XNKCXUOOZIXYHB-UHFFFAOYSA-N
DG57288	"Ethyl 2-benzylsulfanylimidazo[2,1-a]isoquinoline-3-carboxylate"	389958	"NSC686661; CHEMBL1998251; ZINC704238; ethyl 2-(benzylsulfanyl)imidazo[2,1-a]isoquinoline-3-carboxylate; ethyl 2-benzylsulfanylimidazo[2,1-a]isoquinoline-3-carboxylate; MCULE-3887537638; NSC-686661; NCI60_031274; AF-407/34872015; Ethyl 2-(benzylthio)imidazo[2,1-a]isoquinoline-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686661	.	.	.	.	362.4	C21H18N2O2S	68.9	483	5.9	26	0	4	6	"InChI=1S/C21H18N2O2S/c1-2-25-21(24)18-20(26-14-15-8-4-3-5-9-15)22-19-17-11-7-6-10-16(17)12-13-23(18)19/h3-13H,2,14H2,1H3"	CCOC(=O)C1=C(N=C2N1C=CC3=CC=CC=C32)SCC4=CC=CC=C4	KIIITABSNSDVRV-UHFFFAOYSA-N
DG57289	"3,4-Dimethylbenzo[g]quinoline-5,10-dione"	389971	"3,4-Dimethylbenzo[g]quinoline-5,10-dione; 161237-39-4; NSC686748; 3,4-Dimethylbenzo(g)quinoline-5,10-dione; NSC 686748; 3,10-dione; CHEMBL1973443; DTXSID50167091; ZINC1650653; NSC-686748; NCI60_031286"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686748	.	.	.	.	237.25	C15H11NO2	47	379	2.9	18	0	3	0	"InChI=1S/C15H11NO2/c1-8-7-16-13-12(9(8)2)14(17)10-5-3-4-6-11(10)15(13)18/h3-7H,1-2H3"	CC1=CN=C2C(=C1C)C(=O)C3=CC=CC=C3C2=O	MXDHBCCAQVBBFF-UHFFFAOYSA-N
DG57290	"4-(chloromethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine"	389989	NSC686783; CHEMBL1988398; ZINC5757812; NSC-686783; NCI60_031289	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686783	.	.	.	.	254.72	C10H15ClN6	80.3	318	0.9	17	1	6	2	"InChI=1S/C10H15ClN6/c1-6-4-10(2,3)17(16-6)9-14-7(5-11)13-8(12)15-9/h4-5H2,1-3H3,(H2,12,13,14,15)"	CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CCl	ZGDQREXUQGFNOL-UHFFFAOYSA-N
DG57291	"4-(chloromethyl)-6-(3-methyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-amine"	389995	"NSC686789; CHEMBL1991852; ZINC336505; NSC-686789; 4-(chloromethyl)-6-(3-methyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-amine; NCI60_031295; AO-267/15176072"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686789	.	.	.	.	226.67	C8H11ClN6	80.3	258	0.3	15	1	6	2	"InChI=1S/C8H11ClN6/c1-5-2-3-15(14-5)8-12-6(4-9)11-7(10)13-8/h2-4H2,1H3,(H2,10,11,12,13)"	CC1=NN(CC1)C2=NC(=NC(=N2)N)CCl	SENXUALRENKBCQ-UHFFFAOYSA-N
DG57292	"6-(chloromethyl)-N,N-dimethyl-1,3,5-triazine-2,4-diamine"	389996	"6-(chloromethyl)-N,N-dimethyl-1,3,5-triazine-2,4-diamine; 21320-37-6; 6-(chloromethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine; 6-(Chloromethyl)-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine; 2-amino-4-dimethylamino-6-chloromethyl-1,3,5-triazine; NSC686791; CHEMBL1971062; DTXSID00327789; ALBB-023764; ZINC1076036; MFCD00463462; STK663514; AKOS000268875; MCULE-9644699102; NSC-686791; SB73518; LS-07527; NCI60_031297; EN300-23905; 4-(Chloromethyl)-6-dimethylamino-1,3,5-triazin-2-amine; 6-Chloromethyl-N,N-dimethyl-[1,3,5]triazine-2,4-diamine; 1,3,5-Triazine-2,4-diamine, 6-(chloromethyl)-N,N-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686791	.	.	.	.	187.63	C6H10ClN5	67.9	142	0.5	12	1	5	2	"InChI=1S/C6H10ClN5/c1-12(2)6-10-4(3-7)9-5(8)11-6/h3H2,1-2H3,(H2,8,9,10,11)"	CN(C)C1=NC(=NC(=N1)N)CCl	WMWUQLMRNQGYEY-UHFFFAOYSA-N
DG57293	"2,3,11,12-Tetramethoxy-5,6,8,9,14,14a-hexahydroisoquino[1,2-b][3]benzazepine"	390003	"NSC686926; 2,3,11,12-Tetramethoxy-5,6,8,9,14,14a-hexahydroisoquino[1,2-b][3]benzazepine; CHEMBL1998764; BDBM199154; NSC-686926; 2,3,11,12-tetramethoxy-5,6,8,9,14,14a-hexahydroisoquinolino[1,2-b][3]benzazepine; NCI60_031303; 2,3,11,12-tetramethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]azepino[2,1-a]isoquinoline (15a)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686926	.	.	.	.	369.5	C22H27NO4	40.2	489	3.7	27	0	5	4	"InChI=1S/C22H27NO4/c1-24-19-10-14-5-7-23-8-6-15-11-20(25-2)22(27-4)13-17(15)18(23)9-16(14)12-21(19)26-3/h10-13,18H,5-9H2,1-4H3"	COC1=C(C=C2CC3C4=CC(=C(C=C4CCN3CCC2=C1)OC)OC)OC	FDWCQJQXTYABFS-UHFFFAOYSA-N
DG57294	"2,3-Dimethoxy-5,7,8,13,13a,14-hexahydroisoquino[3,2-b][3]benzazepine"	390040	"NSC686954; CHEMBL1965899; 2,3-Dimethoxy-5,7,8,13,13a,14-hexahydroisoquino[3,2-b][3]benzazepine; 2,3-dimethoxy-5,7,8,13,13a,14-hexahydroisoquinolino[3,2-b][3]benzazepine; NSC-686954; NCI60_031331; 5a,6,12,13-Tetrahydro-8,9-dimethoxy-11H-11a-aza-5H-benzo[4,5]cyclohepta[1,2-b]naphthalene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686954	.	.	.	.	309.4	C20H23NO2	21.7	401	3.8	23	0	3	2	"InChI=1S/C20H23NO2/c1-22-19-11-16-10-18-9-15-6-4-3-5-14(15)7-8-21(18)13-17(16)12-20(19)23-2/h3-6,11-12,18H,7-10,13H2,1-2H3"	COC1=C(C=C2CN3CCC4=CC=CC=C4CC3CC2=C1)OC	MLGWFIZHHZKGGB-UHFFFAOYSA-N
DG57295	"6-Phenyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene"	390049	"NSC686963; 6-Phenyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene; Neuro_000425; CHEMBL1999638; NSC-686963; NCI60_031340"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686963	.	.	.	.	418.4	C25H22O6	55.4	618	5.1	31	0	6	5	"InChI=1S/C25H22O6/c1-26-23-9-16(10-24(27-2)25(23)28-3)17-11-19(15-7-5-4-6-8-15)31-20-13-22-21(12-18(17)20)29-14-30-22/h4-13,17H,14H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2C=C(OC3=CC4=C(C=C23)OCO4)C5=CC=CC=C5	KFDCXQCCGHOTLJ-UHFFFAOYSA-N
DG57296	"N-acetyl-N-[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]acetamide"	390054	"NSC686968; CHEMBL1971392; NSC-686968; N-acetyl-N-[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]acetamide; NCI60_031345; N-Acetyl-N-[3-(4-chloro-benzyl)-5-oxo-1,5-dihydro-[1,2,4]triazol-4-yl]-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686968	.	.	.	.	308.72	C13H13ClN4O3	82.1	472	1.1	21	1	4	2	"InChI=1S/C13H13ClN4O3/c1-8(19)17(9(2)20)18-12(15-16-13(18)21)7-10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3,(H,16,21)"	CC(=O)N(C(=O)C)N1C(=NNC1=O)CC2=CC=C(C=C2)Cl	IASNPSUGNQNKBN-UHFFFAOYSA-N
DG57297	"4-anilino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one"	390055	"NSC686969; CHEMBL2003625; 4-anilino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one; NSC-686969; NCI60_031346; 5-(4-Chloro-benzyl)-4-phenylamino-2,4-dihydro-[1,2,4]triazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686969	.	.	.	.	300.74	C15H13ClN4O	56.7	401	3.5	21	2	3	4	"InChI=1S/C15H13ClN4O/c16-12-8-6-11(7-9-12)10-14-17-18-15(21)20(14)19-13-4-2-1-3-5-13/h1-9,19H,10H2,(H,18,21)"	C1=CC=C(C=C1)NN2C(=NNC2=O)CC3=CC=C(C=C3)Cl	ONRSBKQVLSNETP-UHFFFAOYSA-N
DG57298	"11-Methyl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaen-20-one"	390073	NSC687015; CHEMBL1985752; NSC-687015; NCI60_031363	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687015	.	.	.	.	296.3	C20H12N2O	42.8	492	4.3	23	0	3	0	"InChI=1S/C20H12N2O/c1-11-10-15-12-6-4-5-9-16(12)22-19-17(15)18(21-11)13-7-2-3-8-14(13)20(19)23/h2-10H,1H3"	CC1=CC2=C3C(=N1)C4=CC=CC=C4C(=O)C3=NC5=CC=CC=C52	VAWGDTJYTXTRFB-UHFFFAOYSA-N
DG57299	"Methyl 3-[(10-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-yl)sulfanyl]propanoate"	390133	NSC687159; CHEMBL1991110; NSC-687159; NCI60_031406	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687159	.	.	.	.	350.4	C19H14N2O3S	94.4	579	2.8	25	0	6	5	"InChI=1S/C19H14N2O3S/c1-24-16(23)7-9-25-15-10-14(22)18-17-12(6-8-20-19(15)17)11-4-2-3-5-13(11)21-18/h2-6,8,10H,7,9H2,1H3"	COC(=O)CCSC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4	FLTGVUOYRKFJQK-UHFFFAOYSA-N
DG57300	"3-(p-tolyl)-5-[[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-1,2,4-triazole"	390147	"NSC687215; CHEMBL1994848; SCHEMBL12793663; NSC-687215; NCI60_031420; 3-(p-tolyl)-5-[[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-1,2,4-triazole; 3-(4-Methylphenyl)-5-((3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl)methyl)-1H-1,2,4-triazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687215	.	.	.	.	330.4	C19H18N6	83.1	378	4.1	25	2	4	4	"InChI=1S/C19H18N6/c1-12-3-7-14(8-4-12)18-20-16(22-24-18)11-17-21-19(25-23-17)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3,(H,20,22,24)(H,21,23,25)"	CC1=CC=C(C=C1)C2=NNC(=N2)CC3=NC(=NN3)C4=CC=C(C=C4)C	XZOKJMHKJYUQIN-UHFFFAOYSA-N
DG57301	"Isopropyl 2-chloro-4-[(3,6-dioxocyclohexa-1,4-dien-1-yl)methylamino]benzoate"	390157	"NSC687225; SCHEMBL412892; CHEMBL1971243; ZINC1650849; NSC-687225; NCI60_031430; Benzoic acid,6-dioxo-1,4-cyclohexadienyl)-methyl]amino]-, isopropyl ester; Isopropyl 2-chloro-4-(((3,6-dioxo-1,4-cyclohexadien-1-yl)methyl)amino)benzoate; isopropyl 2-chloro-4-[(3,6-dioxocyclohexa-1,4-dien-1-yl)methylamino]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687225	.	.	.	.	333.8	C17H16ClNO4	72.5	553	2.8	23	1	5	6	"InChI=1S/C17H16ClNO4/c1-10(2)23-17(22)14-5-3-12(8-15(14)18)19-9-11-7-13(20)4-6-16(11)21/h3-8,10,19H,9H2,1-2H3"	CC(C)OC(=O)C1=C(C=C(C=C1)NCC2=CC(=O)C=CC2=O)Cl	CHRRHHZGQZFPKS-UHFFFAOYSA-N
DG57302	"3-(Benzenesulfonylmethyl)-8,8-dimethyl-2-(phenylsulfanylmethyl)spiro[4.5]decane-6,10-dione"	390162	"NSC687307; CHEMBL1987002; NSC-687307; 3-(benzenesulfonylmethyl)-8,8-dimethyl-2-(phenylsulfanylmethyl)spiro[4.5]decane-6,10-dione; NCI60_031435; 8,8-Dimethyl-2-((phenylsulfonyl)methyl)-3-((phenylthio)methyl)spiro[4.5]decane-6,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687307	.	.	.	.	470.6	C26H30O4S2	102	778	4.8	32	0	5	6	"InChI=1S/C26H30O4S2/c1-25(2)15-23(27)26(24(28)16-25)13-19(17-31-21-9-5-3-6-10-21)20(14-26)18-32(29,30)22-11-7-4-8-12-22/h3-12,19-20H,13-18H2,1-2H3"	CC1(CC(=O)C2(CC(C(C2)CS(=O)(=O)C3=CC=CC=C3)CSC4=CC=CC=C4)C(=O)C1)C	XUIZYCMVGWPLCI-UHFFFAOYSA-N
DG57303	NSC687308	390163	"15-[2-(Dimethylamino)ethyl]-10-[3-(dimethylamino)propylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione;hydrochloride; NSC687308; CHEMBL545045; NSC-687308; 1H,6,1-de]acridine-1,3(2H),7-trione, 2-[2-(dimethylamino)ethyl]- 6-[3-(dimethyamino)propylamino]-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687308	.	.	.	.	472	C24H30ClN5O3	76.2	726	.	33	2	6	8	"InChI=1S/C24H29N5O3.ClH/c1-26(2)13-7-12-25-18-11-10-17-21-20(18)22(30)16-8-5-6-9-19(16)29(21)24(32)28(23(17)31)15-14-27(3)4;/h5-6,8-11,25H,7,12-15H2,1-4H3;1H"	CN(C)CCCNC1=C2C3=C(C=C1)C(=O)N(C(=O)N3C4=CC=CC=C4C2=O)CCN(C)C.Cl	ZMPOWLUTCWEVFZ-UHFFFAOYSA-N
DG57304	"2-Acridin-9-ylsulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole"	390166	"NSC687311; CHEMBL1992518; 2-acridin-9-ylsulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole; Acridine,3,4-thiadiazol-2-yl]-; NSC-687311; NCI60_031438; 9-((5-(Ethylthio)-1,3,4-thiadiazol-2-yl)thio)acridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687311	.	.	.	.	355.5	C17H13N3S3	118	375	5.6	23	0	6	4	"InChI=1S/C17H13N3S3/c1-2-21-16-19-20-17(23-16)22-15-11-7-3-5-9-13(11)18-14-10-6-4-8-12(14)15/h3-10H,2H2,1H3"	CCSC1=NN=C(S1)SC2=C3C=CC=CC3=NC4=CC=CC=C42	LSBMWMCHCWBNBV-UHFFFAOYSA-N
DG57305	"8-(6-Amino-9H-purin-9-yl)-2,2,4,4-tetraisopropyltetrahydro-6H-furo(3,2-f)(1,3,5,2,4)trioxadisilocin-9-ylamine"	390181	"NSC687330; 160056-49-5; MLS002702371; 8-(6-Amino-9H-purin-9-yl)-2,2,4,4-tetraisopropyltetrahydro-6H-furo(3,2-f)(1,3,5,2,4)trioxadisilocin-9-ylamine; 8-(6-Amino-9H-purin-9-yl)-2,2,4,4-tetraisopropyltetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ylamine; NSC 687330; CHEMBL1709501; DTXSID40936213; NSC-687330; NCI60_031454; SMR001565933; Adenosine,5'- O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]-; 9-(9-amino-2,2,4,4-tetraisopropyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl)purin-6-amine; 9-(9-Amino-2,2,4,4-tetraisopropyltetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl)-9H-purin-6-amine; 9-[9-Amino-2,2,4,4-tetra(propan-2-yl)tetrahydro-2H,4H,6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-9H-purin-6-amine; 9H-Purin-6-amine,5- O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]- .beta.-D-ribofuranosyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687330	.	.	.	.	508.8	C22H40N6O4Si2	133	701	.	34	2	9	5	"InChI=1S/C22H40N6O4Si2/c1-12(2)33(13(3)4)29-9-16-19(31-34(32-33,14(5)6)15(7)8)17(23)22(30-16)28-11-27-18-20(24)25-10-26-21(18)28/h10-17,19,22H,9,23H2,1-8H3,(H2,24,25,26)"	CC(C)[Si]1(OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)N)O[Si](O1)(C(C)C)C(C)C)C(C)C	DSZXWOYSCQODMD-UHFFFAOYSA-N
DG57306	ethyl 3-(1H-indol-3-yl)-4-methyl-1H-pyrrole-2-carboxylate	390183	NSC687344; ethyl 3-(1H-indol-3-yl)-4-methyl-1H-pyrrole-2-carboxylate; CHEMBL1999618; NSC-687344; NCI60_031456; Ethyl 4-mEthyl-3-(indol-3-yl)-1H-pyrrole-2-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687344	.	.	.	.	268.31	C16H16N2O2	57.9	360	3.4	20	2	2	4	"InChI=1S/C16H16N2O2/c1-3-20-16(19)15-14(10(2)8-18-15)12-9-17-13-7-5-4-6-11(12)13/h4-9,17-18H,3H2,1-2H3"	CCOC(=O)C1=C(C(=CN1)C)C2=CNC3=CC=CC=C32	GAZXWZKUAACEMC-UHFFFAOYSA-N
DG57307	"2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-di(tetradecyl)pentanediamide"	390191	NSC687352; CHEMBL1993495; NSC-687352; NCI60_031464	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687352	.	.	.	.	845.2	C48H80N10O3	194	1140	11	61	5	10	35	"InChI=1S/C48H80N10O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-34-51-42(59)33-32-41(47(61)52-35-27-25-23-21-19-17-15-13-11-9-7-5-2)55-46(60)38-28-30-40(31-29-38)58(3)37-39-36-53-45-43(54-39)44(49)56-48(50)57-45/h28-31,36,41H,4-27,32-35,37H2,1-3H3,(H,51,59)(H,52,61)(H,55,60)(H4,49,50,53,56,57)"	CCCCCCCCCCCCCCNC(=O)CCC(C(=O)NCCCCCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N	ZHWYGLJJVXABOK-UHFFFAOYSA-N
DG57308	"1-(3-Diethylaminopropylamino)-5-methyl-6H-pyridazino[4,5-b]carbazole"	390192	"NSC687353; CHEMBL1983812; NSC-687353; NCI60_031465; 1-(3-Diethylaminopropylamino)-5-methyl-6H-pyridazino[4,5-b]carbazole; N,N-Diethyl-N'-(5-methyl-6H-pyridazino[4,5-b]carbazole-1-yl)-1,3-propanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687353	.	.	.	.	361.5	C22H27N5	52	736	4.3	27	2	5	7	"InChI=1S/C22H27N5/c1-4-27(5-2)12-8-11-23-22-18-13-17-16-9-6-7-10-20(16)25-21(17)15(3)19(18)14-24-26-22/h6-7,9-10,13-14,23,26H,4-5,8,11-12H2,1-3H3"	CCN(CC)CCCNC1=C2C=C3C4=CC=CC=C4N=C3C(=C2C=NN1)C	SAKNXNYGAJXCIR-UHFFFAOYSA-N
DG57309	NSC687354	390193	"1H-[1,4]Triazolo[1,2-a]pyridazine-8-carboxylic acid, 5-[(2,3,4,6-O-tetraacetyl-beta-D-glucopyranosyl)oxy]-2,3,5,8-tetrahydro-1,3-dioxo-2-phenyl-, methyl ester, trans-; CHEMBL1966238; NSC687354; NSC-687354; NCI60_031466; 1H-[1,4]Triazolo[1,2-a]pyridazine-8-carboxylic acid, 5-[(2,3,4,6-O-tetraacetyl-.beta.-D-glucopyranosyl)oxy]- 2,3,5,8-tetrahydro-1,3-dioxo-2-phenyl-, methyl ester, trans-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687354	.	.	.	.	633.6	C28H31N3O14	194	1230	1	45	0	14	14	"InChI=1S/C28H31N3O14/c1-14(32)40-13-20-22(41-15(2)33)23(42-16(3)34)24(43-17(4)35)26(44-20)45-21-12-11-19(25(36)39-5)30-27(37)29(28(38)31(21)30)18-9-7-6-8-10-18/h6-12,19-24,26H,13H2,1-5H3/t19-,20 ,21+,22 ,23 ,24 ,26 /m1/s1"	CC(=O)OCC1C(C(C(C(O1)O[C@H]2C=C[C@@H](N3N2C(=O)N(C3=O)C4=CC=CC=C4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C	GFIMWEJQHUYXDX-OJCNOXOOSA-N
DG57310	NSC687355	390194	"benzyl (5S,8S)-1,3-dioxo-2-phenyl-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxylate; NSC687355; CHEMBL1991756; NSC-687355; NCI60_031467; 1H-[1,4]Triazolo[1,2-a]pyridazine-8-carboxylic acid, 5-[(2,3,4,6-O-tetraacetyl-.beta.-D-glucopyranosyl)oxy]- 2,3,5,8-tetrahydro-1,3-dioxo-2-phenyl-, phenylmethyl ester, cis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687355	.	.	.	.	709.7	C34H35N3O14	194	1380	2.5	51	0	14	16	"InChI=1S/C34H35N3O14/c1-19(38)45-18-26-28(47-20(2)39)29(48-21(3)40)30(49-22(4)41)32(50-26)51-27-16-15-25(31(42)46-17-23-11-7-5-8-12-23)36-33(43)35(34(44)37(27)36)24-13-9-6-10-14-24/h5-16,25-30,32H,17-18H2,1-4H3/t25-,26 ,27-,28 ,29 ,30 ,32 /m0/s1"	CC(=O)OCC1C(C(C(C(O1)O[C@H]2C=C[C@H](N3N2C(=O)N(C3=O)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C	SNWNYYPRIJMZIH-XAIJXGJMSA-N
DG57311	NSC687367	390210	"[5-(5-Ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [5-[4-(hexadecylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate; NSC687367; CHEMBL2002195; NSC-687367; NCI60_031479"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687367	.	.	.	.	769.9	C36H60N5O11P	209	1350	4.8	53	5	11	25	"InChI=1S/C36H60N5O11P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-37-31-18-20-40(35(45)38-31)33-22-28(29(24-42)50-33)52-53(47,48)49-25-30-27(43)21-32(51-30)41-23-26(4-2)34(44)39-36(41)46/h18,20,23,27-30,32-33,42-43H,3-17,19,21-22,24-25H2,1-2H3,(H,47,48)(H,37,38,45)(H,39,44,46)"	CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2CC(C(O2)CO)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)CC)O	WJIWKWJSSOYDOX-UHFFFAOYSA-N
DG57312	[5-[5-Fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate	390211	NSC687368; CHEMBL2003525; NSC-687368; NCI60_031480	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687368	.	.	.	.	577.7	C27H49FN3O7P	141	823	6.2	39	4	8	22	"InChI=1S/C27H49FN3O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-26-22(28)20-31(27(33)30-26)25-19-23(32)24(38-25)21-37-39(34,35)36/h20,23-25,32H,2-19,21H2,1H3,(H,29,30,33)(H2,34,35,36)"	CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(C(O2)COP(=O)(O)O)O	JKJDDEJFWSHVID-UHFFFAOYSA-N
DG57313	NSC687369	390212	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-[[[5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate; NSC687369; CHEMBL1973486; NSC-687369; NCI60_031481"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687369	.	.	.	.	815.8	C36H55FN5O13P	232	1530	4.2	56	4	14	25	"InChI=1S/C36H55FN5O13P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-31(45)38-30-17-18-41(35(47)39-30)32-20-27(28(22-43)53-32)55-56(49,50)51-23-29-26(52-24(2)44)19-33(54-29)42-21-25(37)34(46)40-36(42)48/h17-18,21,26-29,32-33,43H,3-16,19-20,22-23H2,1-2H3,(H,49,50)(H,40,46,48)(H,38,39,45,47)"	CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2CC(C(O2)CO)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)OC(=O)C	BITODDDCTQEZGE-UHFFFAOYSA-N
DG57314	NSC687370	390213	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate; NSC687370; CHEMBL1979302; NSC-687370; NCI60_031482"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687370	.	.	.	.	805.8	C36H58F2N5O11P	209	1420	5.7	55	5	13	26	"InChI=1S/C36H58F2N5O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-39-33-25(37)21-42(35(47)40-33)32-20-28(29(23-44)52-32)54-55(49,50)51-24-30-27(45)19-31(53-30)43-22-26(38)34(46)41-36(43)48/h21-22,27-32,44-45H,2-20,23-24H2,1H3,(H,49,50)(H,39,40,47)(H,41,46,48)"	CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(C(O2)CO)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)O	QTEFFTASORIXEW-UHFFFAOYSA-N
DG57315	NSC687496	390224	"9-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-(2-trimethylsilylethynyl)purin-6-amine; NSC687496; Neuro_000427; CHEMBL1983820; NSC-687496; NCI60_031486"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687496	.	.	.	.	517.799	C24H39N5O4Si2	107	861	.	35	1	8	7	"InChI=1S/C24H39N5O4Si2/c1-23(2,3)35(9,10)30-13-15-18-19(33-24(4,5)32-18)22(31-15)29-14-26-17-20(25)27-16(28-21(17)29)11-12-34(6,7)8/h14-15,18-19,22H,13H2,1-10H3,(H2,25,27,28)"	CC1(OC2C(OC(C2O1)N3C=NC4=C(N=C(N=C43)C#C[Si](C)(C)C)N)CO[Si](C)(C)C(C)(C)C)C	VKTBGZYQCIYCGE-UHFFFAOYSA-N
DG57316	"[5-(6-Amino-2-ethynylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate"	390226	NSC687510; CHEMBL2000019; NSC-687510; NCI60_031488	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687510	.	.	.	.	370.34	C12H14N6O6S	197	648	-2.7	25	4	11	5	"InChI=1S/C12H14N6O6S/c1-2-6-16-10(13)7-11(17-6)18(4-15-7)12-9(20)8(19)5(24-12)3-23-25(14,21)22/h1,4-5,8-9,12,19-20H,3H2,(H2,13,16,17)(H2,14,21,22)"	C#CC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COS(=O)(=O)N)O)O)N	LRSLPIPDJFGDOM-UHFFFAOYSA-N
DG57317	"2-(4-Methoxyphenyl)-1-methylene-3-phenyl-pyrazino[1,2-a]benzimidazole"	390229	"NSC687521; CHEMBL2005870; NSC-687521; NCI60_031491; 2-(4-methoxyphenyl)-1-methylene-3-phenyl-pyrazino[1,2-a]benzimidazole; 2-(4-Methoxyphenyl)-1-methylene-3-phenyl-1,2-dihydropyrazino[1,2-a]benzimidazole; Methyl 4-(1-methylene-3-phenylpyrazino[1,2-a]benzimidazol-2(1H)-yl)phenyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687521	.	.	.	.	365.4	C24H19N3O	30.3	603	5.2	28	0	3	3	"InChI=1S/C24H19N3O/c1-17-24-25-21-10-6-7-11-22(21)26(24)16-23(18-8-4-3-5-9-18)27(17)19-12-14-20(28-2)15-13-19/h3-16H,1H2,2H3"	COC1=CC=C(C=C1)N2C(=C)C3=NC4=CC=CC=C4N3C=C2C5=CC=CC=C5	VUGPMUJMIOGVIF-UHFFFAOYSA-N
DG57318	"2-(4-Chlorophenyl)-1-methylene-3-phenyl-pyrazino[1,2-a]benzimidazole"	390230	"NSC687522; CHEMBL1967123; NSC-687522; NCI60_031492; 2-(4-chlorophenyl)-1-methylene-3-phenyl-pyrazino[1,2-a]benzimidazole; 2-(4-Chlorophenyl)-1-methylene-3-phenyl-1,2-dihydropyrazino[1,2-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687522	.	.	.	.	369.8	C23H16ClN3	21.1	588	5.9	27	0	2	2	"InChI=1S/C23H16ClN3/c1-16-23-25-20-9-5-6-10-21(20)26(23)15-22(17-7-3-2-4-8-17)27(16)19-13-11-18(24)12-14-19/h2-15H,1H2"	C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=C(C=C4)Cl)C5=CC=CC=C5	YBTBCXZAITUMHA-UHFFFAOYSA-N
DG57319	"1-Methylene-2-(4-nitrophenyl)-3-phenyl-pyrazino[1,2-a]benzimidazole"	390231	"NSC687523; CHEMBL2001491; 1-methylene-2-(4-nitrophenyl)-3-phenyl-pyrazino[1,2-a]benzimidazole; NSC-687523; NCI60_031493; 2-(4-(Hydroxy(oxido)amino)phenyl)-1-methylene-3-phenyl-1,2-dihydropyrazino[1,2-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687523	.	.	.	.	380.4	C23H16N4O2	66.9	673	5.1	29	0	4	2	"InChI=1S/C23H16N4O2/c1-16-23-24-20-9-5-6-10-21(20)25(23)15-22(17-7-3-2-4-8-17)26(16)18-11-13-19(14-12-18)27(28)29/h2-15H,1H2"	C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5	NNTVTPWJSVXMMD-UHFFFAOYSA-N
DG57320	"1-Methylene-2-phenyl-3-(p-tolyl)pyrazino[1,2-a]benzimidazole"	390232	"NSC687524; MLS002702372; CHEMBL1729710; NSC-687524; NCI60_031494; SMR001565934; Pyrazino[1, 1-methylene- 3_(4-methylphenyl)-2-phenyl-; 1-methylene-2-phenyl-3-(p-tolyl)pyrazino[1,2-a]benzimidazole; 1-Methylene-3-(4-methylphenyl)-2-phenyl-1,2-dihydropyrazino[1,2-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687524	.	.	.	.	349.4	C24H19N3	21.1	582	5.6	27	0	2	2	"InChI=1S/C24H19N3/c1-17-12-14-19(15-13-17)23-16-26-22-11-7-6-10-21(22)25-24(26)18(2)27(23)20-8-4-3-5-9-20/h3-16H,2H2,1H3"	CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=CC=C5	CECIKOFNEZAOAI-UHFFFAOYSA-N
DG57321	"2-(4-Methoxyphenyl)-1-methylene-3-(p-tolyl)pyrazino[1,2-a]benzimidazole"	390234	"NSC687526; CHEMBL1964500; NSC-687526; NCI60_031496; 2-(4-methoxyphenyl)-1-methylene-3-(p-tolyl)pyrazino[1,2-a]benzimidazole; 2-(4-Methoxyphenyl)-1-methylene-3-(4-methylphenyl)-1,2-dihydropyrazino[1,2-a]benzimidazole; Methyl 4-(1-methylene-3-(4-methylphenyl)pyrazino[1,2-a]benzimidazol-2(1H)-yl)phenyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687526	.	.	.	.	379.5	C25H21N3O	30.3	630	5.6	29	0	3	3	"InChI=1S/C25H21N3O/c1-17-8-10-19(11-9-17)24-16-27-23-7-5-4-6-22(23)26-25(27)18(2)28(24)20-12-14-21(29-3)15-13-20/h4-16H,2H2,1,3H3"	CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=C(C=C5)OC	KUVYRUCQWNOKGH-UHFFFAOYSA-N
DG57322	"3-(4-Methoxyphenyl)-1-methylene-2-phenyl-pyrazino[1,2-a]benzimidazole"	390235	"NSC687527; CHEMBL1994172; NSC-687527; NCI60_031497; Pyrazino[1, 3-(4-methoxyphenyl)- 1-methylene-2-phenyl-; 3-(4-methoxyphenyl)-1-methylene-2-phenyl-pyrazino[1,2-a]benzimidazole; 3-(4-Methoxyphenyl)-1-methylene-2-phenyl-1,2-dihydropyrazino[1,2-a]benzimidazole; Methyl 4-(1-methylene-2-phenyl-1,2-dihydropyrazino[1,2-a]benzimidazol-3-yl)phenyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687527	.	.	.	.	365.4	C24H19N3O	30.3	603	5.2	28	0	3	3	"InChI=1S/C24H19N3O/c1-17-24-25-21-10-6-7-11-22(21)26(24)16-23(18-12-14-20(28-2)15-13-18)27(17)19-8-4-3-5-9-19/h3-16H,1H2,2H3"	COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=CC=C5	QBGDOVQSQFVTAC-UHFFFAOYSA-N
DG57323	"2,3-Bis(4-methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazole"	390236	"NSC687528; CHEMBL1990876; NSC-687528; NCI60_031498; 2,3-bis(4-methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazole; 2,3-Bis(4-methoxyphenyl)-1-methylene-1,2-dihydropyrazino[1,2-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687528	.	.	.	.	395.5	C25H21N3O2	39.5	649	5.2	30	0	4	4	"InChI=1S/C25H21N3O2/c1-17-25-26-22-6-4-5-7-23(22)27(25)16-24(18-8-12-20(29-2)13-9-18)28(17)19-10-14-21(30-3)15-11-19/h4-16H,1H2,2-3H3"	COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=C(C=C5)OC	BAAVUEUCQDKHRP-UHFFFAOYSA-N
DG57324	"3-(4-Chlorophenyl)-1-methylene-2-phenyl-pyrazino[1,2-a]benzimidazole"	390237	"NSC687529; CHEMBL1999929; NSC-687529; NCI60_031499; 3-(4-chlorophenyl)-1-methylene-2-phenyl-pyrazino[1,2-a]benzimidazole; 3-(4-Chlorophenyl)-1-methylene-2-phenyl-1,2-dihydropyrazino[1,2-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687529	.	.	.	.	369.8	C23H16ClN3	21.1	588	5.9	27	0	2	2	"InChI=1S/C23H16ClN3/c1-16-23-25-20-9-5-6-10-21(20)26(23)15-22(17-11-13-18(24)14-12-17)27(16)19-7-3-2-4-8-19/h2-15H,1H2"	C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=CC=C4)C5=CC=C(C=C5)Cl	FSZRAQTWXJKTEL-UHFFFAOYSA-N
DG57325	"3-(4-Chlorophenyl)-2-(4-methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazole"	390238	"NSC687530; CHEMBL1997315; NSC-687530; NCI60_031500; 3-(4-Chlorophenyl)-2-(4-methoxyphenyl)-1-methylene-1,2-dihydropyrazino[1,2-a]benzimidazole; 3-(4-chlorophenyl)-2-(4-methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazole; 4-(3-(4-Chlorophenyl)-1-methylenepyrazino[1,2-a]benzimidazol-2(1H)-yl)phenyl methyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687530	.	.	.	.	399.9	C24H18ClN3O	30.3	636	5.8	29	0	3	3	"InChI=1S/C24H18ClN3O/c1-16-24-26-21-5-3-4-6-22(21)27(24)15-23(17-7-9-18(25)10-8-17)28(16)19-11-13-20(29-2)14-12-19/h3-15H,1H2,2H3"	COC1=CC=C(C=C1)N2C(=C)C3=NC4=CC=CC=C4N3C=C2C5=CC=C(C=C5)Cl	JNTPYVZPPWCPLS-UHFFFAOYSA-N
DG57326	"Benzyl 5-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate"	390239	"NSC687531; Benzyl 5-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate; CHEMBL1985945; NSC-687531; NCI60_031501; benzyl 5-(2-methoxy-2-oxo-ethyl)-2,2-dimethyl-oxazolidine-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687531	.	.	.	.	307.34	C16H21NO5	65.099	403	1.9	22	0	5	6	"InChI=1S/C16H21NO5/c1-16(2)17(10-13(22-16)9-14(18)20-3)15(19)21-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3"	CC1(N(CC(O1)CC(=O)OC)C(=O)OCC2=CC=CC=C2)C	YDUZMOPITJLACJ-UHFFFAOYSA-N
DG57327	"Benzyl 2,2-dimethyl-5-[2-(p-tolylsulfonyloxy)ethyl]oxazolidine-3-carboxylate"	390241	"NSC687533; CHEMBL1991856; NSC-687533; NCI60_031503; benzyl 2,2-dimethyl-5-[2-(p-tolylsulfonyloxy)ethyl]oxazolidine-3-carboxylate; Benzyl 2,2-dimethyl-5-(2-(((4-methylphenyl)sulfonyl)oxy)ethyl)-1,3-oxazolidine-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687533	.	.	.	.	433.5	C22H27NO6S	90.5	660	3.7	30	0	6	8	"InChI=1S/C22H27NO6S/c1-17-9-11-20(12-10-17)30(25,26)28-14-13-19-15-23(22(2,3)29-19)21(24)27-16-18-7-5-4-6-8-18/h4-12,19H,13-16H2,1-3H3"	CC1=CC=C(C=C1)S(=O)(=O)OCCC2CN(C(O2)(C)C)C(=O)OCC3=CC=CC=C3	DLKXMLAAIHDLTB-UHFFFAOYSA-N
DG57328	"Benzyl 5-(2-cyanoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate"	390242	"NSC687534; Benzyl 5-(2-cyanoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate; CHEMBL1975049; NSC-687534; NCI60_031504; benzyl 5-(2-cyanoethyl)-2,2-dimethyl-oxazolidine-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687534	.	.	.	.	288.34	C16H20N2O3	62.6	407	2.1	21	0	4	5	"InChI=1S/C16H20N2O3/c1-16(2)18(11-14(21-16)9-6-10-17)15(19)20-12-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9,11-12H2,1-2H3"	CC1(N(CC(O1)CCC#N)C(=O)OCC2=CC=CC=C2)C	YVAVBBCAJGIFED-UHFFFAOYSA-N
DG57329	2-[[2-benzyl-3-(4-nitrophenoxy)propanoyl]amino]-4-methyl-N-phenyl-pentanamide	390249	NSC687541; CHEMBL1978430; NSC-687541; NCI60_031511; 2-[[2-benzyl-3-(4-nitrophenoxy)propanoyl]amino]-4-methyl-N-phenyl-pentanamide; 2-((2-Benzyl-3-(4-(hydroxy(oxido)amino)phenoxy)propanoyl)amino)-4-methyl-N-phenylpentanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687541	.	.	.	.	489.6	C28H31N3O5	113	690	5.6	36	2	5	11	"InChI=1S/C28H31N3O5/c1-20(2)17-26(28(33)29-23-11-7-4-8-12-23)30-27(32)22(18-21-9-5-3-6-10-21)19-36-25-15-13-24(14-16-25)31(34)35/h3-16,20,22,26H,17-19H2,1-2H3,(H,29,33)(H,30,32)"	CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)COC3=CC=C(C=C3)[N+](=O)[O-]	UVQXHBQLIZCPJS-UHFFFAOYSA-N
DG57330	"6-Acetyl-1,6a-dimethyl-2-phenyl-1,6a-dihydropyrrolo[3,2-c]pyrazol-3(2H)-one"	390258	"NSC687550; CHEMBL1992312; NSC-687550; 6-Acetyl-1,6a-dimethyl-2-phenyl-1,6a-dihydropyrrolo[3,2-c]pyrazol-3(2H)-one; NCI60_031520; 6-acetyl-1,6a-dimethyl-2-phenyl-pyrrolo[3,2-c]pyrazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687550	.	.	.	.	269.3	C15H15N3O2	53	531	1.1	20	0	4	2	"InChI=1S/C15H15N3O2/c1-10(19)12-9-16-13-14(20)18(17(3)15(12,13)2)11-7-5-4-6-8-11/h4-9H,1-3H3"	CC(=O)C1=CN=C2C1(N(N(C2=O)C3=CC=CC=C3)C)C	GGANKQWNJSQFLS-UHFFFAOYSA-N
DG57331	"N-[4-(4-chlorophenyl)-3,5-dicyano-2-oxo-6-sulfanyl-1-pyridyl]benzenesulfonamide"	390264	"NSC687556; CHEMBL2000090; ZINC102982344; NSC-687556; NCI60_031526; N-(4-(4-Chlorophenyl)-3,5-dicyano-2-mercapto-6-oxo-1(6H)-pyridinyl)benzenesulfonamide; N-[4-(4-chlorophenyl)-3,5-dicyano-2-oxo-6-sulfanyl-1-pyridyl]benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687556	.	.	.	.	442.9	C19H11ClN4O3S2	123	950	2.8	29	2	7	4	"InChI=1S/C19H11ClN4O3S2/c20-13-8-6-12(7-9-13)17-15(10-21)18(25)24(19(28)16(17)11-22)23-29(26,27)14-4-2-1-3-5-14/h1-9,23,28H"	C1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)Cl)C#N)S	TXLWGCKNUAZOLH-UHFFFAOYSA-N
DG57332	"N-[3,5-dicyano-4-(4-dimethylaminophenyl)-2-oxo-6-sulfanyl-1-pyridyl]-4-methyl-benzenesulfonamide"	390269	"NSC687561; CHEMBL2007556; ZINC102978170; NSC-687561; NCI60_031531; N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-mercapto-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide; N-[3,5-dicyano-4-(4-dimethylaminophenyl)-2-oxo-6-sulfanyl-1-pyridyl]-4-methyl-benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687561	.	.	.	.	465.6	C22H19N5O3S2	127	1020	2.6	32	2	8	5	"InChI=1S/C22H19N5O3S2/c1-14-4-10-17(11-5-14)32(29,30)25-27-21(28)18(12-23)20(19(13-24)22(27)31)15-6-8-16(9-7-15)26(2)3/h4-11,25,31H,1-3H3"	CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)N(C)C)C#N)S	QCJVYOJMWWGDQD-UHFFFAOYSA-N
DG57333	"N-[3,5-dicyano-4-(4-methoxyphenyl)-2-oxo-6-sulfanyl-1-pyridyl]-4-methyl-benzenesulfonamide"	390270	"NSC687562; CHEMBL1980887; NSC-687562; NCI60_031532; N-[3,5-dicyano-4-(4-methoxyphenyl)-2-oxo-6-sulfanyl-1-pyridyl]-4-methyl-benzenesulfonamide; N-(3,5-Dicyano-2-mercapto-4-(4-methoxyphenyl)-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687562	.	.	.	.	452.5	C21H16N4O4S2	133	993	2.5	31	2	8	5	"InChI=1S/C21H16N4O4S2/c1-13-3-9-16(10-4-13)31(27,28)24-25-20(26)17(11-22)19(18(12-23)21(25)30)14-5-7-15(29-2)8-6-14/h3-10,24,30H,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)OC)C#N)S	XZZUYHFRTCQQOT-UHFFFAOYSA-N
DG57334	"4-Methyl-N-[2-oxo-3,5-dicyano-4-(4-methoxyphenyl)-6-hydroxypyridine-1(2H)-yl]benzenesulfonamide"	390280	"NSC687572; CHEMBL1985127; NSC-687572; NCI60_031542; N-[3,5-dicyano-2-hydroxy-4-(4-methoxyphenyl)-6-oxo-1-pyridyl]-4-methyl-benzenesulfonamide; 4-Methyl-N-[2-oxo-3,5-dicyano-4-(4-methoxyphenyl)-6-hydroxypyridine-1(2H)-yl]benzenesulfonamide; N-[3,5-Dicyano-6-hydroxy-4-(4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-4-methylbenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687572	.	.	.	.	436.4	C21H16N4O5S	152	991	2.5	31	2	8	5	"InChI=1S/C21H16N4O5S/c1-13-3-9-16(10-4-13)31(28,29)24-25-20(26)17(11-22)19(18(12-23)21(25)27)14-5-7-15(30-2)8-6-14/h3-10,24,26H,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)OC)C#N)O	JVFSFNVFNFLTKC-UHFFFAOYSA-N
DG57335	"N-[3,5-dicyano-2-oxo-4-phenyl-6-(p-tolyl)-1-pyridyl]-4-methyl-benzenesulfonamide"	390286	"NSC687578; CHEMBL1979321; NSC-687578; NCI60_031546; N-[3,5-dicyano-2-oxo-4-phenyl-6-(p-tolyl)-1-pyridyl]-4-methyl-benzenesulfonamide; N-(3,5-Dicyano-2-(4-methylphenyl)-6-oxo-4-phenyl-1(6H)-pyridinyl)-4-methylbenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687578	.	.	.	.	480.5	C27H20N4O3S	122	1090	4.2	35	1	6	5	"InChI=1S/C27H20N4O3S/c1-18-8-12-21(13-9-18)26-23(16-28)25(20-6-4-3-5-7-20)24(17-29)27(32)31(26)30-35(33,34)22-14-10-19(2)11-15-22/h3-15,30H,1-2H3"	CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=C(C=C3)C)C#N)C4=CC=CC=C4)C#N	BAKUCNVIGSNBGL-UHFFFAOYSA-N
DG57336	"N-[3,5-dicyano-4-(4-dimethylaminophenyl)-2-hydroxy-6-oxo-1-pyridyl]benzenesulfonamide"	390292	"NSC687584; CHEMBL1977143; NSC-687584; NCI60_031551; N-[3,5-dicyano-4-(4-dimethylaminophenyl)-2-hydroxy-6-oxo-1-pyridyl]benzenesulfonamide; N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-hydroxy-6-oxo-1(6H)-pyridinyl)benzenesulfonamide; N-[2-Oxo-3,5-dicyano-4-[4-(dimethylamino)phenyl]-6-hydroxypyridine-1(2H)-yl]benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687584	.	.	.	.	435.5	C21H17N5O4S	146	991	2.3	31	2	8	5	"InChI=1S/C21H17N5O4S/c1-25(2)15-10-8-14(9-11-15)19-17(12-22)20(27)26(21(28)18(19)13-23)24-31(29,30)16-6-4-3-5-7-16/h3-11,24,27H,1-2H3"	CN(C)C1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)O)NS(=O)(=O)C3=CC=CC=C3)C#N	OJCAFBUATRCALU-UHFFFAOYSA-N
DG57337	"4-Methyl-N-[2-oxo-3,5-dicyano-4-[4-(dimethylamino)phenyl]-6-hydroxypyridine-1(2H)-yl]benzenesulfonamide"	390293	"NSC687585; CHEMBL1969024; NSC-687585; NCI60_031552; 4-Methyl-N-[2-oxo-3,5-dicyano-4-[4-(dimethylamino)phenyl]-6-hydroxypyridine-1(2H)-yl]benzenesulfonamide; N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-hydroxy-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide; N-[3,5-dicyano-4-(4-dimethylaminophenyl)-2-hydroxy-6-oxo-1-pyridyl]-4-methyl-benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687585	.	.	.	.	449.5	C22H19N5O4S	146	1020	2.7	32	2	8	5	"InChI=1S/C22H19N5O4S/c1-14-4-10-17(11-5-14)32(30,31)25-27-21(28)18(12-23)20(19(13-24)22(27)29)15-6-8-16(9-7-15)26(2)3/h4-11,25,28H,1-3H3"	CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)N(C)C)C#N)O	SSMNUCUIXGOSNL-UHFFFAOYSA-N
DG57338	"N-[3,5-dicyano-4-(4-nitrophenyl)-2-oxo-6-(p-tolyl)-1-pyridyl]benzenesulfonamide"	390297	"NSC687589; CHEMBL2005290; ZINC1650974; NSC-687589; NCI60_031556; N-[3,5-dicyano-4-(4-nitrophenyl)-2-oxo-6-(p-tolyl)-1-pyridyl]benzenesulfonamide; N-(3,5-Dicyano-4-(4-(hydroxy(oxido)amino)phenyl)-2-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687589	.	.	.	.	511.5	C26H17N5O5S	168	1190	3.6	37	1	8	5	"InChI=1S/C26H17N5O5S/c1-17-7-9-19(10-8-17)25-22(15-27)24(18-11-13-20(14-12-18)31(33)34)23(16-28)26(32)30(25)29-37(35,36)21-5-3-2-4-6-21/h2-14,29H,1H3"	CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)[N+](=O)[O-])C#N	MWYJZFQFYLWEFG-UHFFFAOYSA-N
DG57339	"1,2-diamino-5-cyano-N-(3-methoxyphenyl)-4-methylsulfanyl-6-oxo-pyridine-3-carboxamide"	390306	"NSC687598; CHEMBL2004561; NSC-687598; NCI60_031565; 1,2-diamino-5-cyano-N-(3-methoxyphenyl)-4-methylsulfanyl-6-oxo-pyridine-3-carboxamide; 1,2-Diamino-5-cyano-N-(3-methoxyphenyl)-4-(methylthio)-6-oxo-1,6-dihydro-3-pyridinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687598	.	.	.	.	345.4	C15H15N5O3S	160	663	0.4	24	3	7	4	"InChI=1S/C15H15N5O3S/c1-23-9-5-3-4-8(6-9)19-14(21)11-12(24-2)10(7-16)15(22)20(18)13(11)17/h3-6H,17-18H2,1-2H3,(H,19,21)"	COC1=CC=CC(=C1)NC(=O)C2=C(N(C(=O)C(=C2SC)C#N)N)N	WTTJZNCYGYAFDZ-UHFFFAOYSA-N
DG57340	"4-[bis(methylsulfanyl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one"	390309	"NSC687601; CHEMBL1999180; STK993185; AKOS005657036; MCULE-6824623826; NSC-687601; 4-[bis(methylsulfanyl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one; NCI60_031568; 1-Phenyl-3-methyl-4-[bis(methylthio)methylene]-2-pyrazoline-5-one; 4-[bis(methylsulfanyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one; 4-(Bis(methylthio)methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one; 4-(bis-methylsulfanyl-methylene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687601	.	.	.	.	278.4	C13H14N2OS2	83.3	392	2.8	18	0	4	3	"InChI=1S/C13H14N2OS2/c1-9-11(13(17-2)18-3)12(16)15(14-9)10-7-5-4-6-8-10/h4-8H,1-3H3"	CC1=NN(C(=O)C1=C(SC)SC)C2=CC=CC=C2	WXQFUMIOXWCQJV-UHFFFAOYSA-N
DG57341	5-imino-3-methylsulfanyl-2-phenyl-N-(p-tolyl)-1H-pyrazole-4-carboxamide	390314	"NSC687606; CHEMBL2003466; ZINC16958925; NSC-687606; NCI60_031573; 5-imino-3-methylsulfanyl-2-phenyl-N-(p-tolyl)-1H-pyrazole-4-carboxamide; 3-Imino-N-(4-methylphenyl)-5-(methylthio)-1-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687606	.	.	.	.	338.4	C18H18N4OS	98.2	421	4.1	24	2	4	4	"InChI=1S/C18H18N4OS/c1-12-8-10-13(11-9-12)20-17(23)15-16(19)21-22(18(15)24-2)14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,19,21)(H,20,23)"	CC1=CC=C(C=C1)NC(=O)C2=C(N(N=C2N)C3=CC=CC=C3)SC	XZOUDIZNKBTFPF-UHFFFAOYSA-N
DG57342	3-cyano-6-imino-N-(4-methoxyphenyl)-4-methylsulfanyl-2-oxo-3H-pyridine-5-carboxamide	390316	"NSC687608; CHEMBL2004861; ZINC01650993; NSC-687608; NCI60_031575; 3-cyano-6-imino-N-(4-methoxyphenyl)-4-methylsulfanyl-2-oxo-3H-pyridine-5-carboxamide; 5-Cyano-2-imino-N-(4-methoxyphenyl)-4-(methylthio)-6-oxo-1,2,5,6-tetrahydro-3-pyridinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687608	.	.	.	.	330.4	C15H14N4O3S	143	612	1	23	2	5	4	"InChI=1S/C15H14N4O3S/c1-22-9-5-3-8(4-6-9)18-15(21)11-12(23-2)10(7-16)14(20)19-13(11)17/h3-6,10H,1-2H3,(H,18,21)(H2,17,19,20)"	COC1=CC=C(C=C1)NC(=O)C2=C(C(C(=O)N=C2N)C#N)SC	XQGUKKLAINSSOW-UHFFFAOYSA-N
DG57343	"2-[[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-(2-hydroxyethyl)amino]ethanol"	390341	"NSC687677; CHEMBL2007293; NSC-687677; 2-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-(2-hydroxyethyl)amino]ethanol; NCI60_031597; 2,2'-[[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]imino]bisethanol; Ethanol, 2,2'-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]imino]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687677	.	.	.	.	369.26	C14H13F6N3O2	69.5	428	2.3	25	2	11	5	"InChI=1S/C14H13F6N3O2/c15-13(16,17)9-7-10(14(18,19)20)21-12-8(9)1-2-11(22-12)23(3-5-24)4-6-25/h1-2,7,24-25H,3-6H2"	C1=CC(=NC2=C1C(=CC(=N2)C(F)(F)F)C(F)(F)F)N(CCO)CCO	KPDWMOLONYWOKN-UHFFFAOYSA-N
DG57344	5-Tert-butyl-3-(5-tert-butyl-1-phenyl-pyrazol-3-yl)-1-phenyl-pyrazole	390368	"NSC687707; CHEMBL1985689; 5,5'-di-tert-butyl-1,1'-diphenyl-1H,1'H-3,3'-bipyrazole; ZINC1651036; STK833340; AKOS005623347; MCULE-3641099702; NSC-687707; NCI60_031613; 3,3'-Bi-1H-pyrazole, 5,5'-bis(1,1-dimethylethyl)-1,1'-diphenyl-; 5-tert-butyl-3-(5-tert-butyl-1-phenyl-pyrazol-3-yl)-1-phenyl-pyrazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687707	.	.	.	.	398.5	C26H30N4	35.6	500	7	30	0	2	5	"InChI=1S/C26H30N4/c1-25(2,3)23-17-21(27-29(23)19-13-9-7-10-14-19)22-18-24(26(4,5)6)30(28-22)20-15-11-8-12-16-20/h7-18H,1-6H3"	CC(C)(C)C1=CC(=NN1C2=CC=CC=C2)C3=NN(C(=C3)C(C)(C)C)C4=CC=CC=C4	DLGNUGVUKPQERU-UHFFFAOYSA-N
DG57345	"1,2-Benziodoxole-1(3H)-carbonitrile, 3-oxo-"	390370	"172876-96-9; 1,2-Benziodoxole-1(3H)-carbonitrile, 3-oxo-; 3-Oxo-1,2-benziodoxole-1(3H)-carbonitrile; NSC687712; 3-oxo-1lambda3,2-benziodoxole-1-carbonitrile; 3-Oxo-1,2-benziodoxole-1-(3H)-carbonitrile; CHEMBL1975955; DTXSID80327803; XGA87696; MFCD08741445; AKOS015908567; NSC-687712; DS-16392; NCI60_031615; DB-064869; FT-0606281; 1,2-Benziodoxole-1(3H)-carbonitrile,3-oxo-; 3-oxo-1$l^{3,2-benziodoxole-1-carbonitrile; 3-oxo-1$l^{3},2-benziodoxole-1-carbonitrile; C73315; 3-Oxo-1lambda~3~,2-benziodoxole-1(3H)-carbonitrile; 3-Oxo-3H-1-lambda-~3~-benzo[d][1,2]iodoxole-1-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687712	.	.	.	.	273.03	C8H4INO2	50.1	257	2.5	12	0	3	0	InChI=1S/C8H4INO2/c10-5-9-7-4-2-1-3-6(7)8(11)12-9/h1-4H	C1=CC=C2C(=C1)C(=O)OI2C#N	AOTJNSUBRSAHHW-UHFFFAOYSA-N
DG57346	"3,3-Bis(trifluoromethyl)-1$l^{3},2-benziodoxole-1-carbonitrile"	390373	"NSC687715; 3,3-bis(trifluoromethyl)-1$l^{3},2-benziodoxole-1-carbonitrile; CHEMBL1974832; NSC-687715; NCI60_031618; 1,3-Dihydro-3,3-bis(trifluoromethyl)-1,2-benziodoxole-1-carbonitrile; 3,3-Bis-trifluoromethyl-3H-1-lambda-~3~-benzo[d][1,2]iodoxole-1-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687715	.	.	.	.	395.04	C10H4F6INO	33	397	4.4	19	0	8	0	"InChI=1S/C10H4F6INO/c11-9(12,13)8(10(14,15)16)6-3-1-2-4-7(6)17(5-18)19-8/h1-4H"	C1=CC=C2C(=C1)C(OI2C#N)(C(F)(F)F)C(F)(F)F	DITWBNYKQGVOIK-UHFFFAOYSA-N
DG57347	H-D-Phe(Unk)-Val-OMe.TFA	390389	NSC687744; CHEMBL2001437; NSC-687744	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687744	.	.	.	.	532.4	C21H30Cl2F3N3O5	122	535	.	34	3	10	12	"InChI=1S/C19H29Cl2N3O3.C2HF3O2/c1-13(2)17(19(26)27-3)23-18(25)16(22)12-14-4-6-15(7-5-14)24(10-8-20)11-9-21;3-2(4,5)1(6)7/h4-7,13,16-17H,8-12,22H2,1-3H3,(H,23,25);(H,6,7)/t16-,17+;/m1./s1"	CC(C)[C@@H](C(=O)OC)NC(=O)[C@@H](CC1=CC=C(C=C1)N(CCCl)CCCl)N.C(=O)(C(F)(F)F)O	NNKRVLJEHGFQJI-PPPUBMIESA-N
DG57348	1-((4-Methoxyphenyl)diazenyl)pyrrolidine	390392	NSC687746; 36651-93-1; 1-((4-Methoxyphenyl)diazenyl)pyrrolidine; (E)-(4-methoxyphenyl)-pyrrolidin-1-yl-diazene; 4-(Pyrrolizinoazo)anisole; CHEMBL573542; DTXSID40327804; ZINC1651059; ZINC104317253; NSC-687746; NCI60_031635; Methyl 4-(1-pyrrolidinyldiazenyl)phenyl ether	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687746	.	.	.	.	205.26	C11H15N3O	37.2	206	3.1	15	0	4	3	"InChI=1S/C11H15N3O/c1-15-11-6-4-10(5-7-11)12-13-14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3"	COC1=CC=C(C=C1)N=NN2CCCC2	MUGWKDATFDQVFX-UHFFFAOYSA-N
DG57349	1-(4-Fluorophenylazo)pyrrolidine	390393	NSC687747; CHEMBL2002872; SCHEMBL17375252; 1-(4-Fluorophenylazo)pyrrolidine; ZINC1651060; ZINC104317260; NSC-687747; 1-((4-Fluorophenyl)diazenyl)pyrrolidine; NCI60_031636; (E)-(4-fluorophenyl)-pyrrolidin-1-yl-diazene	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687747	.	.	.	.	193.22	C10H12FN3	28	194	3.2	14	0	4	2	"InChI=1S/C10H12FN3/c11-9-3-5-10(6-4-9)12-13-14-7-1-2-8-14/h3-6H,1-2,7-8H2"	C1CCN(C1)N=NC2=CC=C(C=C2)F	PMIAFDIFOGOSSA-UHFFFAOYSA-N
DG57350	N-(4-trifluoromethylphenylazo)pyrrolidine	390395	NSC687749; N-(4-trifluoromethylphenylazo)pyrrolidine; CHEMBL229804; ZINC1651062; ZINC104317272; NSC-687749; 1104800-64-7; NCI60_031638; 1-(Trifluoromethyl)-4-(1-pyrrolidinylazo)benzene; 1-((4-(Trifluoromethyl)phenyl)diazenyl)pyrrolidine; (E)-pyrrolidin-1-yl-[4-(trifluoromethyl)phenyl]diazene	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687749	.	.	.	.	243.23	C11H12F3N3	28	264	4	17	0	6	2	"InChI=1S/C11H12F3N3/c12-11(13,14)9-3-5-10(6-4-9)15-16-17-7-1-2-8-17/h3-6H,1-2,7-8H2"	C1CCN(C1)N=NC2=CC=C(C=C2)C(F)(F)F	AADGQEUMOVPMFD-UHFFFAOYSA-N
DG57351	1-(4-Nitrophenyl)-2-(pyrrolidin-1-yl)diazene	390397	NSC687751; 1-(4-nitrophenyl)-2-(pyrrolidin-1-yl)diazene; 52010-82-9; (e)-(4-nitrophenyl)-pyrrolidin-1-yl-diazene; CHEMBL573864; ZINC5838370; ZINC104317281; NSC-687751; NCI60_031640; 1-((4-(Hydroxy(oxido)amino)phenyl)diazenyl)pyrrolidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687751	.	.	.	.	220.23	C10H12N4O2	73.8	263	2.9	16	0	5	2	"InChI=1S/C10H12N4O2/c15-14(16)10-5-3-9(4-6-10)11-12-13-7-1-2-8-13/h3-6H,1-2,7-8H2"	C1CCN(C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]	VBIXEELEFIOGQR-UHFFFAOYSA-N
DG57352	"2-(2,6-dichloroanilino)-N-[7-[(2,6-dichlorophenyl)sulfamoyl]-1-oxo-2H-naphthalen-2-yl]acetamide"	390409	"NSC687763; CHEMBL1968709; NSC-687763; 2-(2,6-dichloroanilino)-N-[7-[(2,6-dichlorophenyl)sulfamoyl]-1-oxo-2H-naphthalen-2-yl]acetamide; NCI60_031652; 2-(2,6-Dichloroanilino)-N-(7-((2,6-dichloroanilino)sulfonyl)-1-oxo-1,2-dihydro-2-naphthalenyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687763	.	.	.	.	585.3	C24H17Cl4N3O4S	113	926	6.4	36	3	6	7	"InChI=1S/C24H17Cl4N3O4S/c25-16-3-1-4-17(26)22(16)29-12-21(32)30-20-10-8-13-7-9-14(11-15(13)24(20)33)36(34,35)31-23-18(27)5-2-6-19(23)28/h1-11,20,29,31H,12H2,(H,30,32)"	C1=CC(=C(C(=C1)Cl)NCC(=O)NC2C=CC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=C(C=CC=C4Cl)Cl)Cl	AAHVZBOFTGNEMJ-UHFFFAOYSA-N
DG57353	2-(2-acetylanilino)-N-[6-[(2-acetylphenyl)sulfamoyl]-4-oxo-quinazolin-3-yl]acetamide	390413	NSC687767; SCHEMBL7554461; CHEMBL2001037; ZINC1651078; NSC-687767; NCI60_031656; 2-(2-Acetylanilino)-N-(6-((2-acetylanilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)acetamide; 2-(2-acetylanilino)-N-[6-[(2-acetylphenyl)sulfamoyl]-4-oxo-quinazolin-3-yl]acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687767	.	.	.	.	533.6	C26H23N5O6S	163	1060	3.1	38	3	9	8	"InChI=1S/C26H23N5O6S/c1-16(32)19-7-3-5-9-22(19)27-14-25(34)29-31-15-28-23-12-11-18(13-21(23)26(31)35)38(36,37)30-24-10-6-4-8-20(24)17(2)33/h3-13,15,27,30H,14H2,1-2H3,(H,29,34)"	CC(=O)C1=CC=CC=C1NCC(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4C(=O)C	KOVFPJIWVIKHOP-UHFFFAOYSA-N
DG57354	3-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)-4-oxo-quinazoline-6-sulfonamide	390419	"NSC687773; SCHEMBL7555930; CHEMBL1980022; NSC-687773; NCI60_031661; 3-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)-4-oxo-quinazoline-6-sulfonamide; 3-(((4-Chlorophenyl)sulfonyl)amino)-N-(2-methoxyphenyl)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687773	.	.	.	.	521	C21H17ClN4O6S2	151	972	2.9	34	2	9	7	"InChI=1S/C21H17ClN4O6S2/c1-32-20-5-3-2-4-19(20)24-33(28,29)16-10-11-18-17(12-16)21(27)26(13-23-18)25-34(30,31)15-8-6-14(22)7-9-15/h2-13,24-25H,1H3"	COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)NS(=O)(=O)C4=CC=C(C=C4)Cl	IJSFZGGBGILMRR-UHFFFAOYSA-N
DG57355	3-[(4-iodophenyl)sulfonylamino]-N-(4-methoxyphenyl)-4-oxo-quinazoline-6-sulfonamide	390420	"NSC687774; SCHEMBL7558421; CHEMBL1997085; NSC-687774; NCI60_031662; 3-[(4-iodophenyl)sulfonylamino]-N-(4-methoxyphenyl)-4-oxo-quinazoline-6-sulfonamide; 3-(((4-Iodophenyl)sulfonyl)amino)-N-(4-methoxyphenyl)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687774	.	.	.	.	612.4	C21H17IN4O6S2	151	964	2.9	34	2	9	7	"InChI=1S/C21H17IN4O6S2/c1-32-16-6-4-15(5-7-16)24-33(28,29)18-10-11-20-19(12-18)21(27)26(13-23-20)25-34(30,31)17-8-2-14(22)3-9-17/h2-13,24-25H,1H3"	COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)NS(=O)(=O)C4=CC=C(C=C4)I	LFAAFQMOZGKCDG-UHFFFAOYSA-N
DG57356	3-(((6-((2-Carboxyanilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)amino)sulfonyl)-4-methylbenzoic acid	390425	NSC687779; CHEMBL1984011; NSC-687779; NCI60_031667; 3-[[6-[(2-carboxyphenyl)sulfamoyl]-4-oxo-quinazolin-3-yl]sulfamoyl]-4-methyl-benzoic acid; 3-(((6-((2-Carboxyanilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)amino)sulfonyl)-4-methylbenzoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687779	.	.	.	.	558.5	C23H18N4O9S2	216	1180	2.2	38	4	12	8	"InChI=1S/C23H18N4O9S2/c1-13-6-7-14(22(29)30)10-20(13)38(35,36)26-27-12-24-18-9-8-15(11-17(18)21(27)28)37(33,34)25-19-5-3-2-4-16(19)23(31)32/h2-12,25-26H,1H3,(H,29,30)(H,31,32)"	CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4C(=O)O	QMLIGHXZIDCDPB-UHFFFAOYSA-N
DG57357	3-methyl-N-(2-nitrophenyl)-1-oxo-2-(p-tolylsulfonylamino)isoquinoline-7-sulfonamide	390426	"NSC687780; CHEMBL2001296; NSC-687780; NCI60_031668; 3-methyl-N-(2-nitrophenyl)-1-oxo-2-(p-tolylsulfonylamino)isoquinoline-7-sulfonamide; N-(2-(Hydroxy(oxido)amino)phenyl)-3-methyl-2-(((4-methylphenyl)sulfonyl)amino)-1-oxo-1,2-dihydro-7-isoquinolinesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687780	.	.	.	.	528.6	C23H20N4O7S2	175	1080	4	36	2	9	6	"InChI=1S/C23H20N4O7S2/c1-15-7-10-18(11-8-15)36(33,34)25-26-16(2)13-17-9-12-19(14-20(17)23(26)28)35(31,32)24-21-5-3-4-6-22(21)27(29)30/h3-14,24-25H,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)NN2C(=CC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4[N+](=O)[O-])C	VBOFASVFTIXMLJ-UHFFFAOYSA-N
DG57358	N-[4-[[3-[(4-acetamidophenyl)sulfonylamino]-2-methyl-4-oxo-quinazolin-6-yl]sulfonylamino]phenyl]acetamide	390427	NSC687781; CHEMBL1995246; NSC-687781; NCI60_031669; N-(4-(((6-((4-(Acetylamino)anilino)sulfonyl)-2-methyl-4-oxo-3(4H)-quinazolinyl)amino)sulfonyl)phenyl)acetamide; N-[4-[[3-[(4-acetamidophenyl)sulfonylamino]-2-methyl-4-oxo-quinazolin-6-yl]sulfonylamino]phenyl]acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687781	.	.	.	.	584.6	C25H24N6O7S2	200	1210	0.6	40	4	10	8	"InChI=1S/C25H24N6O7S2/c1-15-26-24-13-12-22(39(35,36)29-20-6-4-18(5-7-20)27-16(2)32)14-23(24)25(34)31(15)30-40(37,38)21-10-8-19(9-11-21)28-17(3)33/h4-14,29-30H,1-3H3,(H,27,32)(H,28,33)"	CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NC(=O)C)C(=O)N1NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C	YBSUTNRUYJLSIC-UHFFFAOYSA-N
DG57359	2-methyl-4-oxo-N-(4-phenylphenyl)sulfonyl-3-[(4-phenylphenyl)sulfonylamino]quinazoline-6-sulfonamide	390432	"NSC687786; CHEMBL1975482; NSC-687786; 2-methyl-4-oxo-N-(4-phenylphenyl)sulfonyl-3-[(4-phenylphenyl)sulfonylamino]quinazoline-6-sulfonamide; NCI60_031674; N-([1,1'-Biphenyl]-4-ylsulfonyl)-3-(([1,1'-biphenyl]-4-ylsulfonyl)amino)-2-methyl-4-oxo-3,4-dihydro-6-quinazolinesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687786	.	.	.	.	686.8	C33H26N4O7S3	184	1450	5.1	47	2	10	9	"InChI=1S/C33H26N4O7S3/c1-23-34-32-21-20-30(47(43,44)36-46(41,42)29-18-14-27(15-19-29)25-10-6-3-7-11-25)22-31(32)33(38)37(23)35-45(39,40)28-16-12-26(13-17-28)24-8-4-2-5-9-24/h2-22,35-36H,1H3"	CC1=NC2=C(C=C(C=C2)S(=O)(=O)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N1NS(=O)(=O)C5=CC=C(C=C5)C6=CC=CC=C6	CAONZYFPXZOWDB-UHFFFAOYSA-N
DG57360	"1-[3-(3,4-Dimethoxyphenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol"	390439	"NSC687793; CHEMBL1999435; NSC-687793; NCI60_031680; 1-[3-(3,4-dimethoxyphenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol; 1-(1-(2,4-Bis(hydroxy(oxido)amino)phenyl)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-2-naphthol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687793	.	.	.	.	514.5	C27H22N4O7	146	892	5.5	38	1	9	5	"InChI=1S/C27H22N4O7/c1-37-25-12-8-17(13-26(25)38-2)22-15-20(27-19-6-4-3-5-16(19)7-11-24(27)32)28-29(22)21-10-9-18(30(33)34)14-23(21)31(35)36/h3-14,22,32H,15H2,1-2H3"	COC1=C(C=C(C=C1)C2CC(=NN2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=C(C=CC5=CC=CC=C54)O)OC	PAVDIAZJLWDSLA-UHFFFAOYSA-N
DG57361	"1-[3-(2,4-Dichlorophenyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone"	390447	"NSC687801; CHEMBL2000164; NSC-687801; NCI60_031688; 1-[3-(2,4-dichlorophenyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone; 2-(1-Acetyl-5-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)-1-naphthol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687801	.	.	.	.	399.3	C21H16Cl2N2O2	52.9	599	4.9	27	1	3	2	"InChI=1S/C21H16Cl2N2O2/c1-12(26)25-20(16-9-7-14(22)10-18(16)23)11-19(24-25)17-8-6-13-4-2-3-5-15(13)21(17)27/h2-10,20,27H,11H2,1H3"	CC(=O)N1C(CC(=N1)C2=C(C3=CC=CC=C3C=C2)O)C4=C(C=C(C=C4)Cl)Cl	GCCHRPNOUMSBKA-UHFFFAOYSA-N
DG57362	"(1-Acetyl-3-(1-hydroxy-2-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)(2-furyl)methanone"	390448	"NSC687802; CHEMBL1992893; NSC-687802; NCI60_031689; (1-Acetyl-3-(1-hydroxy-2-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)(2-furyl)methanone; 1-[3-(furan-2-carbonyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687802	.	.	.	.	348.4	C20H16N2O4	83.1	605	2.9	26	1	5	3	"InChI=1S/C20H16N2O4/c1-12(23)22-17(20(25)18-7-4-10-26-18)11-16(21-22)15-9-8-13-5-2-3-6-14(13)19(15)24/h2-10,17,24H,11H2,1H3"	CC(=O)N1C(CC(=N1)C2=C(C3=CC=CC=C3C=C2)O)C(=O)C4=CC=CO4	SUZLJZVQFUEUQR-UHFFFAOYSA-N
DG57363	"[2-(2,4-Dinitrophenyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-3-yl]-(2-furyl)methanone"	390453	"NSC687807; CHEMBL1983561; NSC-687807; NCI60_031694; (1-(2,4-Bis(hydroxy(oxido)amino)phenyl)-3-(1-hydroxy-2-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)(2-furyl)methanone; [2-(2,4-dinitrophenyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-3-yl]-(2-furyl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687807	.	.	.	.	472.4	C24H16N4O7	158	871	4.9	35	1	9	4	"InChI=1S/C24H16N4O7/c29-23-16-5-2-1-4-14(16)7-9-17(23)18-13-21(24(30)22-6-3-11-35-22)26(25-18)19-10-8-15(27(31)32)12-20(19)28(33)34/h1-12,21,29H,13H2"	C1C(N(N=C1C2=C(C3=CC=CC=C3C=C2)O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)C5=CC=CO5	NFSSFIIBJDWFOC-UHFFFAOYSA-N
DG57364	NSC687861	390493	"[3,4-Dibenzoyloxy-5-[4-(1-naphthyl)-3-[[5-(3-pyridyl)tetrazol-2-yl]methyl]-5-thioxo-1,2,4-triazol-1-yl]tetrahydrofuran-2-yl]methyl benzoate; NSC687861; CHEMBL1988031; NSC-687861; NCI60_031723; [3,4-dibenzoyloxy-5-[4-(1-naphthyl)-3-[[5-(3-pyridyl)tetrazol-2-yl]methyl]-5-thioxo-1,2,4-triazol-1-yl]tetrahydrofuran-2-yl]methyl benzoate; 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(1-naphthalenyl)-5-[[5-(3-pyridinyl)-2H-tetrazol-2-yl]methyl]-2-(2,3,5-tri-O-benzoylpentofuranosyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687861	.	.	.	.	830.9	C45H34N8O7S	196	1570	8.2	61	0	13	15	"InChI=1S/C45H34N8O7S/c54-42(30-15-4-1-5-16-30)57-28-36-38(59-43(55)31-17-6-2-7-18-31)39(60-44(56)32-19-8-3-9-20-32)41(58-36)53-45(61)52(35-24-12-21-29-14-10-11-23-34(29)35)37(48-53)27-51-49-40(47-50-51)33-22-13-25-46-26-33/h1-26,36,38-39,41H,27-28H2"	C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C(=S)N(C(=N3)CN4N=C(N=N4)C5=CN=CC=C5)C6=CC=CC7=CC=CC=C76)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9	CZWOAZSOZKZUGK-UHFFFAOYSA-N
DG57365	2-[3-(chloromethyl)-6-nitro-indoline-1-carbonyl]-N-[2-hydroxy-1-(hydroxymethyl)ethyl]-1H-indole-6-carboxamide	390505	"NSC687937; SCHEMBL8483919; CHEMBL2005272; NSC-687937; NCI60_031733; 2-((3-(Chloromethyl)-6-(hydroxy(oxido)amino)-2,3-dihydro-1H-indol-1-yl)carbonyl)-N-(2-hydroxy-1-(hydroxymethyl)ethyl)-1H-indole-6-carboxamide; 2-[[3-(chloromethyl)-6-nitroindolin-1-yl]carbonyl]-N-(1,3-dihydroxy-2-propyl)indole-6-carboxamide; 2-[3-(chloromethyl)-6-nitro-indoline-1-carbonyl]-N-[2-hydroxy-1-(hydroxymethyl)ethyl]-1H-indole-6-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687937	.	.	.	.	472.9	C22H21ClN4O6	152	747	1.6	33	4	6	6	"InChI=1S/C22H21ClN4O6/c23-8-14-9-26(20-7-16(27(32)33)3-4-17(14)20)22(31)19-5-12-1-2-13(6-18(12)25-19)21(30)24-15(10-28)11-29/h1-7,14-15,25,28-29H,8-11H2,(H,24,30)"	C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=C(C=C4)C(=O)NC(CO)CO)C=C(C=C2)[N+](=O)[O-])CCl	OKVIIDPNUHUPCM-UHFFFAOYSA-N
DG57366	NSC687939	390507	"(1R)-1alpha,8bbeta-Dihydroxy-3beta-phenyl-3abeta-(1,3-benzodioxol-5-yl)-6,8-dimethoxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-2alpha-carboxylic acid methyl ester; NSC687939; CHEMBL1986494; CCG-205925; NSC-687939; NCI60_031735; (1R)-1alpha,8bbeta-Dihydroxy-3beta-phenyl-3abeta-(1,3-benzodioxol-5-yl)-6,8-dimethoxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-2alpha-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687939	.	.	.	.	506.5	C28H26O9	113	848	3.1	37	2	9	6	"InChI=1S/C28H26O9/c1-32-17-12-20(33-2)24-21(13-17)37-28(16-9-10-18-19(11-16)36-14-35-18)23(15-7-5-4-6-8-15)22(26(30)34-3)25(29)27(24,28)31/h4-13,22-23,25,29,31H,14H2,1-3H3/t22-,23-,25-,27+,28+/m1/s1"	COC1=CC2=C(C(=C1)OC)[C@@]3([C@@H]([C@@H]([C@H]([C@@]3(O2)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6)C(=O)OC)O)O	SAGBWAVFZFVBBQ-GWNOIRNCSA-N
DG57367	"Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate"	390508	"151391-92-3; UNII-L0CH9I9BQF; NSC687945; L0CH9I9BQF; MLS002702376; CHEMBL133283; Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate; NSC 687945; SCHEMBL413095; DTXSID00164777; ZINC1651145; BDBM50043340; NSC-687945; NCI60_031736; SMR001565938; Benzoic acid,5-dihydroxyphenyl)-methyl]amino]-, methyl ester; methyl 4-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-benzoate; 4-(2,5-Dihydroxy-benzylamino)-2-hydroxy-benzoic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687945	.	.	.	.	289.28	C15H15NO5	99	351	2.7	21	4	6	5	"InChI=1S/C15H15NO5/c1-21-15(20)12-4-2-10(7-14(12)19)16-8-9-6-11(17)3-5-13(9)18/h2-7,16-19H,8H2,1H3"	COC(=O)C1=C(C=C(C=C1)NCC2=C(C=CC(=C2)O)O)O	UKKCCABWWBKWOE-UHFFFAOYSA-N
DG57368	"4,8a-Dimethyl-6-(6-methyl-4-oxoheptan-2-yl)-1,4a,5,6,7,8-hexahydronaphthalen-2-one"	390517	NSC687958; CHEMBL2000603; NSC-687958; NCI60_031742	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687958	.	.	.	.	304.5	C20H32O2	34.1	474	4.3	22	0	2	5	"InChI=1S/C20H32O2/c1-13(2)8-17(21)9-14(3)16-6-7-20(5)12-18(22)10-15(4)19(20)11-16/h10,13-14,16,19H,6-9,11-12H2,1-5H3"	CC1=CC(=O)CC2(C1CC(CC2)C(C)CC(=O)CC(C)C)C	KSTIKZQCKBKJKQ-UHFFFAOYSA-N
DG57369	Artocarpetin A	390520	"Artocarpetin A; Artocarpetin A ; NSC687961; 2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one; CHEMBL463111; CHEBI:175718; NSC-687961; NCI60_031745; 2',4',5-Trihydroxy-7-methoxy-8-prenylflavone; 8-(gamma,gamma-dimethylallyl)-5,2',4'-trihydroxy-7-methoxyflavone; 2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687961	.	.	.	.	368.4	C21H20O6	96.2	608	4.6	27	3	6	4	"InChI=1S/C21H20O6/c1-11(2)4-6-14-18(26-3)9-16(24)20-17(25)10-19(27-21(14)20)13-7-5-12(22)8-15(13)23/h4-5,7-10,22-24H,6H2,1-3H3"	CC(=CCC1=C(C=C(C2=C1OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)OC)C	RZVNDYZVNDJBPR-UHFFFAOYSA-N
DG57370	Paclitaxel Ceribate	390521	"Paclitaxel Ceribate; protaxel; 186040-50-6; [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-9-(2,3-dihydroxypropoxycarbonyloxy)-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; Paclitaxel Ceribate [INN]; NSC687962; CHEMBL1975551; BP-179; NSC-687962; NCI60_031746; 7-(2'',3''-dihydroxypropyl carbonoxy)paclitaxel; Q27274308; 7beta-((2RS)-2,3-Dihydroxypropoxycarbonyloxy)-1-hydroxy-9-oxo-5beta,20-epoxytax-11-ene-2alpha,4,10beta,13alpha-tetrayl 4,10-diacetate 2-benzoate 13-((2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687962	.	.	.	.	972	C51H57NO18	277	2020	2.2	70	5	18	20	"InChI=1S/C51H57NO18/c1-27-34(67-46(61)39(57)38(30-16-10-7-11-17-30)52-44(59)31-18-12-8-13-19-31)23-51(63)43(69-45(60)32-20-14-9-15-21-32)41-49(6,42(58)40(66-28(2)54)37(27)48(51,4)5)35(68-47(62)64-25-33(56)24-53)22-36-50(41,26-65-36)70-29(3)55/h7-21,33-36,38-41,43,53,56-57,63H,22-26H2,1-6H3,(H,52,59)/t33 ,34-,35-,36+,38-,39+,40+,41-,43-,49+,50-,51+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)OCC(CO)O)C)OC(=O)C	HSUDWURBWSUCOB-JPHWUADUSA-N
DG57371	(2S)-4-[(13R)-13-hydroxy-13-[(5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-8-oxotridecyl]-2-methyl-2H-furan-5-one	390523	NSC687964; CHEMBL315283; NSC-687964; NCI60_031748	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687964	.	.	.	.	578.9	C35H62O6	93.1	734	9.4	41	2	6	26	"InChI=1S/C35H62O6/c1-3-4-5-6-7-8-9-10-14-17-23-31(37)33-25-26-34(41-33)32(38)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)40-35(29)39/h27-28,31-34,37-38H,3-26H2,1-2H3/t28-,31+,32+,33+,34 /m0/s1"	CCCCCCCCCCCC[C@H]([C@H]1CCC(O1)[C@@H](CCCCC(=O)CCCCCCCC2=C[C@@H](OC2=O)C)O)O	RVFWPTBBKKTQCR-ALGQHUMSSA-N
DG57372	(2S)-4-[10-hydroxy-14-[2-(2-tridecoxyethoxy)ethoxy]tetradecyl]-2-methyl-2H-furan-5-one	390524	NSC687965; CHEMBL1992528; NSC-687965; NCI60_031749	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687965	.	.	.	.	596.9	C36H68O6	74.2	622	11	42	1	6	33	"InChI=1S/C36H68O6/c1-3-4-5-6-7-8-9-10-14-17-21-26-39-28-30-41-31-29-40-27-22-20-25-35(37)24-19-16-13-11-12-15-18-23-34-32-33(2)42-36(34)38/h32-33,35,37H,3-31H2,1-2H3/t33-,35 /m0/s1"	CCCCCCCCCCCCCOCCOCCOCCCCC(CCCCCCCCCC1=C[C@@H](OC1=O)C)O	GUXUSBYLQOEZCM-ITLBEBSESA-N
DG57373	"(S)-5-Methyl-3-[8-hydroxy-13,16,19,22-tetraoxadotriacontane-1-yl]furan-2(5H)-one"	390525	"NSC687966; CHEMBL420764; NSC-687966; NCI60_031750; (S)-5-Methyl-3-[8-hydroxy-13,16,19,22-tetraoxadotriacontane-1-yl]furan-2(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687966	.	.	.	.	570.8	C33H62O7	83.4	595	8.1	40	1	7	31	"InChI=1S/C33H62O7/c1-3-4-5-6-7-8-12-16-21-36-23-25-38-27-28-39-26-24-37-22-17-15-20-32(34)19-14-11-9-10-13-18-31-29-30(2)40-33(31)35/h29-30,32,34H,3-28H2,1-2H3/t30-,32 /m0/s1"	CCCCCCCCCCOCCOCCOCCOCCCCC(CCCCCCCC1=C[C@@H](OC1=O)C)O	WDAUGOLLDKOZFO-TZYYSAMKSA-N
DG57374	NSC687980	390532	"(8R,9S,10R,13S,14S,16R)-16-imidazol-1-yl-10,13-dimethyl-3-pyrrolidin-1-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol; NSC687980; CHEMBL1973700; NSC-687980; NCI60_031758"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687980	.	.	.	.	409.6	C26H39N3O	41.3	702	4.2	30	1	3	2	"InChI=1S/C26H39N3O/c1-25-9-7-19(28-12-3-4-13-28)15-18(25)5-6-20-21(25)8-10-26(2)22(20)16-23(24(26)30)29-14-11-27-17-29/h5,11,14,17,19-24,30H,3-4,6-10,12-13,15-16H2,1-2H3/t19 ,20-,21+,22+,23-,24 ,25+,26+/m1/s1"	C[C@]12CCC(CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4O)N5C=CN=C5)C)N6CCCC6	KRHIHQCEBCPCIT-XVQQVLLFSA-N
DG57375	NSC687981	390533	"[(8R,9S,10R,13S,14S,16R)-16-imidazol-1-yl-10,13-dimethyl-3-pyrrolidin-1-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate; NSC687981; CHEMBL1969840; NSC-687981; NCI60_031759"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687981	.	.	.	.	451.6	C28H41N3O2	47.4	807	4.5	33	0	4	4	"InChI=1S/C28H41N3O2/c1-19(32)33-26-25(31-15-12-29-18-31)17-24-22-7-6-20-16-21(30-13-4-5-14-30)8-10-27(20,2)23(22)9-11-28(24,26)3/h6,12,15,18,21-26H,4-5,7-11,13-14,16-17H2,1-3H3/t21 ,22-,23+,24+,25-,26 ,27+,28+/m1/s1"	CC(=O)OC1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)N5CCCC5)C)C)N6C=CN=C6	KZPNCXIHDYJAKC-YNZPPCSWSA-N
DG57376	N-[amino-[(5-nitro-2-thienyl)methoxy]phosphoryl]-2-bromo-N-(2-bromoethyl)ethanamine	390534	"NSC688021; CHEMBL308278; SCHEMBL15494268; NSC-688021; NCI60_031760; N,N-Bis(2-bromoethyl)diamidophosphoric acid 5-nitro-2-thenyl ester; (5-(Hydroxy(oxido)amino)-2-thienyl)methyl N,N-bis(2-bromoethyl)diamidophosphate; N-[amino-[(5-nitro-2-thienyl)methoxy]phosphoryl]-2-bromo-N-(2-bromoethyl)ethanamine; Phosphorodiamidic acid,N-bis(2-bromoethyl)-, (5-nitro-2-thienyl)methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688021	.	.	.	.	451.07	C9H14Br2N3O4PS	130	368	1.8	20	1	7	8	"InChI=1S/C9H14Br2N3O4PS/c10-3-5-13(6-4-11)19(12,17)18-7-8-1-2-9(20-8)14(15)16/h1-2H,3-7H2,(H2,12,17)"	C1=C(SC(=C1)[N+](=O)[O-])COP(=O)(N)N(CCBr)CCBr	LZKGFJPERKWSAN-UHFFFAOYSA-N
DG57377	N-[amino-[(5-nitro-2-furyl)methoxy]phosphoryl]-2-bromo-N-(2-bromoethyl)ethanamine	390535	"NSC688022; CHEMBL72793; SCHEMBL12598317; NSC-688022; NCI60_031761; N,N-Bis(2-bromoethyl)diamidophosphoric acid 5-nitrofurfuryl ester; (5-(Hydroxy(oxido)amino)-2-furyl)methyl N,N-bis(2-bromoethyl)diamidophosphate; N-[amino-[(5-nitro-2-furyl)methoxy]phosphoryl]-2-bromo-N-(2-bromoethyl)ethanamine; Phosphorodiamidic acid,N-bis(2-bromoethyl)-, (5-nitro-2-furanyl)methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688022	.	.	.	.	435.01	C9H14Br2N3O5P	115	364	1.2	20	1	7	8	"InChI=1S/C9H14Br2N3O5P/c10-3-5-13(6-4-11)20(12,17)18-7-8-1-2-9(19-8)14(15)16/h1-2H,3-7H2,(H2,12,17)"	C1=C(OC(=C1)[N+](=O)[O-])COP(=O)(N)N(CCBr)CCBr	VUBQJZIZBRBAGS-UHFFFAOYSA-N
DG57378	"2-[[Amino-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]naphthalene-1,4-dione"	390536	"NSC688023; CHEMBL109125; 2-[[amino-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]naphthalene-1,4-dione; NSC-688023; NCI60_031762; (1,4-Dioxo-1,4-dihydro-2-naphthalenyl)methyl N,N-bis(2-bromoethyl)diamidophosphate; Phosphorodiamidic acid,N-bis(2-bromoethyl)-, (1,4-dioxo-2-naphthalenyl)methyl ester; N,N-Bis(2-bromoethyl)diamidophosphoric acid (1,4-dihydro-1,4-dioxonaphthalene-2-yl)methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688023	.	.	.	.	480.09	C15H17Br2N2O4P	89.7	564	1.5	24	1	6	8	"InChI=1S/C15H17Br2N2O4P/c16-5-7-19(8-6-17)24(18,22)23-10-11-9-14(20)12-3-1-2-4-13(12)15(11)21/h1-4,9H,5-8,10H2,(H2,18,22)"	C1=CC=C2C(=C1)C(=O)C=C(C2=O)COP(=O)(N)N(CCBr)CCBr	ISYZCIXZTRIBDU-UHFFFAOYSA-N
DG57379	"1-(Benzyloxymethyl)-6-nitro-quinazoline-2,4-dione"	390547	"NSC688035; CHEMBL1988791; NSC-688035; NCI60_031770; 1-Benzyloxymethyl-6-nitro-2,3H)-quinazolinedione; 1-(benzyloxymethyl)-6-nitro-quinazoline-2,4-dione; 1-((Benzyloxy)methyl)-6-(hydroxy(oxido)amino)-2,4(1H,3H)-quinazolinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688035	.	.	.	.	327.29	C16H13N3O5	105	500	1.9	24	1	5	4	"InChI=1S/C16H13N3O5/c20-15-13-8-12(19(22)23)6-7-14(13)18(16(21)17-15)10-24-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,20,21)"	C1=CC=C(C=C1)COCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC2=O	RXRSHLAXLKYLQE-UHFFFAOYSA-N
DG57380	3-(Benzyloxymethyl)-6-bromo-quinazolin-4-one	390551	NSC688037; Oprea1_163140; CHEMBL2009419; ZINC1442664; STK330593; AKOS005438168; MCULE-3030076173; NCI60_031772; 3-(benzyloxymethyl)-6-bromo-quinazolin-4-one; 3-[(benzyloxy)methyl]-6-bromoquinazolin-4(3H)-one; 3-((Benzyloxy)methyl)-6-bromo-4(3H)-quinazolinone hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688037	.	.	.	.	345.19	C16H13BrN2O2	41.9	396	3	21	0	3	4	"InChI=1S/C16H13BrN2O2/c17-13-6-7-15-14(8-13)16(20)19(10-18-15)11-21-9-12-4-2-1-3-5-12/h1-8,10H,9,11H2"	C1=CC=C(C=C1)COCN2C=NC3=C(C2=O)C=C(C=C3)Br	OEAJLNAANKKHKS-UHFFFAOYSA-N
DG57381	"1-Fluoro-2,4-dinitro-imidazole"	390555	"NSC688041; 1-fluoro-2,4-dinitro-imidazole; N-fluoro-2,4-dinitroimidazole; CHEMBL1979771; 1-Fluoro-2,4-dinitro-1H-imidazole; NSC-688041; NCI60_031776; 1-Fluoro-2,4-bis(hydroxy(oxido)amino)-1H-imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688041	.	.	.	.	176.06	C3HFN4O4	110	211	0.4	12	0	6	0	InChI=1S/C3HFN4O4/c4-6-1-2(7(9)10)5-3(6)8(11)12/h1H	C1=C(N=C(N1F)[N+](=O)[O-])[N+](=O)[O-]	WWONLHHATWLIAP-UHFFFAOYSA-N
DG57382	NSC688045	390559	"(2S,8S,11R,15R,18R,22R,25R,26S)-8,15-dibenzyl-26-methyl-22-propan-2-yl-13,20,27-trithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-tetrone; NSC688045; CHEMBL1997015; NSC-688045; NCI60_031780"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688045	.	.	.	.	760	C38H45N7O4S3	221	1460	4.9	52	3	10	5	"InChI=1S/C38H45N7O4S3/c1-21(2)30-37-42-28(20-51-37)32(46)39-25(17-23-11-6-4-7-12-23)35-41-27(19-50-35)33(47)40-26(18-24-13-8-5-9-14-24)38(49)45-16-10-15-29(45)36-44-31(22(3)52-36)34(48)43-30/h4-9,11-14,21-22,25-31H,10,15-20H2,1-3H3,(H,39,46)(H,40,47)(H,43,48)/t22-,25+,26-,27-,28-,29-,30+,31-/m0/s1"	C[C@H]1[C@H]2C(=O)N[C@@H](C3=N[C@@H](CS3)C(=O)N[C@@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=N2)S1)CC6=CC=CC=C6)CC7=CC=CC=C7)C(C)C	OGWIUXZANFLYJB-SGZCCPAPSA-N
DG57383	NSC688046	390560	"(2S,8S,11S,15R,18S,22R,25S,26R)-8,15-dibenzyl-26-methyl-22-propan-2-yl-13,20,27-trioxa-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-tetrone; NSC688046; CHEMBL2000931; NSC-688046; NCI60_031781"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688046	.	.	.	.	711.8	C38H45N7O7	172	1450	3.3	52	3	10	5	"InChI=1S/C38H45N7O7/c1-21(2)30-37-42-28(20-51-37)32(46)39-25(17-23-11-6-4-7-12-23)35-41-27(19-50-35)33(47)40-26(18-24-13-8-5-9-14-24)38(49)45-16-10-15-29(45)36-44-31(22(3)52-36)34(48)43-30/h4-9,11-14,21-22,25-31H,10,15-20H2,1-3H3,(H,39,46)(H,40,47)(H,43,48)/t22-,25-,26+,27+,28+,29+,30-,31+/m1/s1"	C[C@@H]1[C@H]2C(=O)N[C@@H](C3=N[C@@H](CO3)C(=O)N[C@@H](C4=N[C@@H](CO4)C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=N2)O1)CC6=CC=CC=C6)CC7=CC=CC=C7)C(C)C	XIFWNNDMMMRULP-SWQMWMPHSA-N
DG57384	NSC688047	390561	"(2S,8S,11R,15R,18R,22S,25S,26R)-8,15-dibenzyl-26-methyl-22-propan-2-yl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-tetrone; CHEMBL1995226; NSC688047; NSC-688047; NCI60_031782"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688047	.	.	.	.	743.9	C38H45N7O5S2	205	1460	4.4	52	3	10	5	"InChI=1S/C38H45N7O5S2/c1-21(2)30-37-42-28(20-52-37)32(46)39-25(17-23-11-6-4-7-12-23)36-41-27(19-51-36)33(47)40-26(18-24-13-8-5-9-14-24)38(49)45-16-10-15-29(45)35-44-31(22(3)50-35)34(48)43-30/h4-9,11-14,21-22,25-31H,10,15-20H2,1-3H3,(H,39,46)(H,40,47)(H,43,48)/t22-,25-,26+,27+,28+,29+,30+,31+/m1/s1"	C[C@@H]1[C@H]2C(=O)N[C@H](C3=N[C@@H](CS3)C(=O)N[C@@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=N2)O1)CC6=CC=CC=C6)CC7=CC=CC=C7)C(C)C	RBBBWKUBQVARPL-WDFQIUHBSA-N
DG57385	2-[[(E)-(4-methoxyphenyl)iminocarbamoyl]amino]-4-methyl-pentanamide	390563	NSC688071; CHEMBL1992609; NSC-688071; NCI60_031784; 2-[[(E)-(4-methoxyphenyl)iminocarbamoyl]amino]-4-methyl-pentanamide; N-(1-(Aminocarbonyl)-3-methylbutyl)-2-(4-methoxyphenyl)diazenecarboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688071	.	.	.	.	292.33	C14H20N4O3	106	376	2.4	21	2	4	6	"InChI=1S/C14H20N4O3/c1-9(2)8-12(13(15)19)16-14(20)18-17-10-4-6-11(21-3)7-5-10/h4-7,9,12H,8H2,1-3H3,(H2,15,19)(H,16,20)"	CC(C)CC(C(=O)N)NC(=O)N=NC1=CC=C(C=C1)OC	BUIWSFNYUVKSLU-UHFFFAOYSA-N
DG57386	tert-butyl N-[3-(tert-butoxycarbonylamino)-2-(4-carbamoylthiazol-2-yl)propyl]carbamate	390568	"NSC688077; CHEMBL1987671; NSC-688077; NCI60_031789; tert-butyl N-[3-(tert-butoxycarbonylamino)-2-(4-carbamoylthiazol-2-yl)propyl]carbamate; Carbamic acid, [2-[4-(aminocarbonyl)-2-thiazolyl]-1,3-propanediyl]bis-, bis(1,1-dimethylethyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688077	.	.	.	.	400.5	C17H28N4O5S	161	512	1.7	27	3	7	10	"InChI=1S/C17H28N4O5S/c1-16(2,3)25-14(23)19-7-10(8-20-15(24)26-17(4,5)6)13-21-11(9-27-13)12(18)22/h9-10H,7-8H2,1-6H3,(H2,18,22)(H,19,23)(H,20,24)"	CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)C1=NC(=CS1)C(=O)N	AATHPCGBFQJIKL-UHFFFAOYSA-N
DG57387	"5-Pyrrolizino-5H-[1]benzopyrano[4,3-d]pyrimidine-2-amine"	390588	"NSC688111; CHEMBL284884; NSC-688111; NCI60_031804; 5-Pyrrolizino-5H-[1]benzopyrano[4,3-d]pyrimidine-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688111	.	.	.	.	268.31	C15H16N4O	64.3	347	1.7	20	1	5	1	"InChI=1S/C15H16N4O/c16-15-17-9-11-13(18-15)10-5-1-2-6-12(10)20-14(11)19-7-3-4-8-19/h1-2,5-6,9,14H,3-4,7-8H2,(H2,16,17,18)"	C1CCN(C1)C2C3=CN=C(N=C3C4=CC=CC=C4O2)N	LBOVMKZIZZCQRO-UHFFFAOYSA-N
DG57388	Cyclo(D-Glu-D-Arg-L-Trp-D-Glu-D-Asp)	390616	NSC688217; CHEMBL1967200; NSC-688217; NCI60_031816; Cyclo(D-Glu-D-Arg-L-Trp-D-Glu-D-Asp)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688217	.	.	.	.	715.7	C31H41N9O11	338	1360	-2.6	51	11	12	14	"InChI=1S/C31H41N9O11/c32-31(33)34-11-3-6-18-26(47)39-21(12-15-14-35-17-5-2-1-4-16(15)17)29(50)37-20(8-10-24(43)44)28(49)40-22(13-25(45)46)30(51)38-19(27(48)36-18)7-9-23(41)42/h1-2,4-5,14,18-22,35H,3,6-13H2,(H,36,48)(H,37,50)(H,38,51)(H,39,47)(H,40,49)(H,41,42)(H,43,44)(H,45,46)(H4,32,33,34)/t18-,19-,20-,21+,22-/m1/s1"	C1=CC=C2C(=C1)C(=CN2)C[C@H]3C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N3)CCCN=C(N)N)CCC(=O)O)CC(=O)O)CCC(=O)O	PWFDNTNQXNUWMW-CSEOROSGSA-N
DG57389	NSC688222	390621	"(1R,2R,6R,10S,11R,13S,14R,15R)-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13,14-bis(2-methylpropoxy)tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one; NSC688222; CHEMBL1977132; NSC-688222; NCI60_031821"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688222	.	.	.	.	460.6	C28H44O5	76	854	3.7	33	2	5	7	"InChI=1S/C28H44O5/c1-15(2)13-32-25-18(6)27(31)21-9-17(5)23(30)20(21)10-19(12-29)11-22(27)24-26(7,8)28(24,25)33-14-16(3)4/h9,11,15-16,18,20-22,24-25,29,31H,10,12-14H2,1-8H3/t18-,20-,21-,22+,24-,25-,27+,28-/m1/s1"	C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@@H]4CC(=C3)CO)C)O)OCC(C)C)OCC(C)C	PGGJQLHJKUPDIO-SKZOPBCKSA-N
DG57390	"2,2,4,8-Tetramethyltricyclo[5.3.1.04,11]undecan-11-ol"	390632	NSC688234; CHEMBL1966097; NSC-688234; NCI60_031832	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688234	.	.	.	.	222.37	C15H26O	20.2	321	3.9	16	1	1	0	"InChI=1S/C15H26O/c1-10-5-6-12-13(2,3)9-14(4)8-7-11(10)15(12,14)16/h10-12,16H,5-9H2,1-4H3"	CC1CCC2C(CC3(C2(C1CC3)O)C)(C)C	ZCRYDCBITZERMT-UHFFFAOYSA-N
DG57391	"5,8,14-Triacetoxy-3-benzoyloxy-15-hydroxy-9-oxoparaliane"	390635	"NSC688237; CHEMBL1964386; ZINC5839381; MCULE-2496454046; NSC-688237; NCGC00385281-01; NCI60_031835; (triacetoxy-hydroxy-pentamethyl-oxo-[ ]yl) benzoate; 5,8,14-Triacetoxy-3-benzoyloxy-15-hydroxy-9-oxoparaliane; 1H-Cyclopent[a]s-indacen-1-one, 4,8,9a-tris(acetyloxy)-7-(benzoyloxy)tetradecahydro-4a-hydroxy-2,2,3b,6,8a-pentamethyl-, (3aS,3bS,4R,4aR,6S,7S,7aR,8R,8aR,9aS)-; 210046-65-4; NCGC00385281-01_C33H42O10_1H-Cyclopent[a]-s-indacen-1-one, 4,8,9a-tris(acetyloxy)-7-(benzoyloxy)tetradecahydro-4a-hydroxy-2,2,3b,6,8a-pentamethyl-, (3aS,3bS,4R,4aR,6S,7S,7aR,8R,8aR,9aS)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688237	.	.	.	.	598.7	C33H42O10	143	1220	4.2	43	1	10	9	"InChI=1S/C33H42O10/c1-17-14-32(39)23(24(17)42-26(37)21-12-10-9-11-13-21)25(40-18(2)34)30(7)16-33(43-20(4)36)22(15-29(5,6)27(33)38)31(30,8)28(32)41-19(3)35/h9-13,17,22-25,28,39H,14-16H2,1-8H3/t17-,22-,23+,24-,25+,28+,30-,31+,32+,33-/m0/s1"	C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)[C@H]([C@@]4(C[C@@]5([C@H]([C@@]4([C@H]2OC(=O)C)C)CC(C5=O)(C)C)OC(=O)C)C)OC(=O)C)O	IEQTVHJLWRGNIY-ANWQMKQLSA-N
DG57392	NSC688274	390662	"[(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-hydroxy-2,2-dimethylpropanoate; NSC688274; NSC-688274; CHEMBL562230; NCI60_031866; 2,16-Dioxo-11beta,20-epoxypicrasa-3-ene-1beta,11,12alpha,15beta-tetrol 15-(2,2-dimethyl-3-hydroxypropanoate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688274	.	.	.	.	494.5	C25H34O10	160	1020	-0.2	35	4	10	4	"InChI=1S/C25H34O10/c1-10-6-13(27)18(29)23(5)12(10)7-14-24-9-33-25(32,20(23)24)17(28)11(2)15(24)16(19(30)34-14)35-21(31)22(3,4)8-26/h6,11-12,14-18,20,26,28-29,32H,7-9H2,1-5H3/t11-,12+,14-,15-,16-,17-,18-,20-,23-,24+,25+/m1/s1"	C[C@@H]1[C@@H]2[C@H](C(=O)O[C@H]3[C@@]24CO[C@@]([C@@H]1O)([C@@H]4[C@@]5([C@@H](C3)C(=CC(=O)[C@H]5O)C)C)O)OC(=O)C(C)(C)CO	KOIREGUAEMHXSP-VRWZWJKZSA-N
DG57393	NSC688277	390665	"(1S,16R,18S)-6-hydroxy-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3(8),4,6,10-tetraene-18-carbaldehyde; Isopinnatal; CHEMBL1991661; NSC688277; NSC-688277; NCI60_031869"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688277	.	.	.	.	338.4	C20H18O5	80.7	740	1.6	25	1	5	1	"InChI=1S/C20H18O5/c1-18(9-21)13-5-6-19(2)14(13)8-15-16(23)12-7-10(22)3-4-11(12)17(24)20(15,18)25-19/h3-4,7-9,13-14,22H,5-6H2,1-2H3/t13 ,14 ,18-,19+,20-/m0/s1"	C[C@@]12CCC3C1C=C4C(=O)C5=C(C=CC(=C5)O)C(=O)[C@@]4([C@@]3(C)C=O)O2	NMLFNFAGOHGLMD-GVFSZWDCSA-N
DG57394	"7,8-Dehydrocalotropin"	390666	"7,8-Dehydrocalotropin; NSC688285; CHEMBL1988030; NSC-688285; NCI60_031870; Card-20(22)-enolide,8-dihydro-14-hydroxy-19-oxo-2,3-[[(2S,3S,4S,6R)- tetrahydro-3,4-dihydroxy-6-methyl-2H-pyran- 3,2-diyl]bis(oxy)]-, (2.alpha.,3.beta.,5.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688285	.	.	.	.	530.6	C29H38O9	132	1120	0	38	3	9	2	"InChI=1S/C29H38O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h4,10,14-15,17-19,21-23,25,31,33-34H,3,5-9,11-13H2,1-2H3/t15-,17+,18-,19+,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1"	C[C@@H]1C[C@@H]([C@]2([C@@H](O1)O[C@@H]3C[C@@H]4CC=C5[C@@H]([C@]4(C[C@H]3O2)C=O)CC[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)O	LYTOHESBUGTAQI-XUJBKRNKSA-N
DG57395	"3-(Chloromethyl)-6-(hydroxyamino)-1-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)indoline"	390671	"NSC688303; Neuro_000437; CHEMBL1982278; NSC-688303; NCI60_031876; [3-(chloromethyl)-6-(hydroxyamino)indolin-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone; 3-(Chloromethyl)-6-(hydroxyamino)-1-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)indoline; N-(3-(Chloromethyl)-1-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-2,3-dihydro-1H-indol-6-yl)hydroxylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688303	.	.	.	.	431.9	C21H22ClN3O5	96	613	3.2	30	3	6	6	"InChI=1S/C21H22ClN3O5/c1-28-17-7-11-6-15(23-18(11)20(30-3)19(17)29-2)21(26)25-10-12(9-22)14-5-4-13(24-27)8-16(14)25/h4-8,12,23-24,27H,9-10H2,1-3H3"	COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)NO)CCl)OC)OC	OYOOJEQADIYXPP-UHFFFAOYSA-N
DG57396	"(3-methylene-6-nitro-indolin-1-yl)-(5,6,7-trimethoxy-1H-indol-2-yl)methanone"	390674	"NSC688305; CHEMBL1978916; NSC-688305; NCI60_031878; (3-methylene-6-nitro-indolin-1-yl)-(5,6,7-trimethoxy-1H-indol-2-yl)methanone; 1H-Indole, 2,3-dihydro-3-methylene-6-nitro-1-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688305	.	.	.	.	409.4	C21H19N3O6	110	697	3.1	30	1	6	4	"InChI=1S/C21H19N3O6/c1-11-10-23(16-9-13(24(26)27)5-6-14(11)16)21(25)15-7-12-8-17(28-2)19(29-3)20(30-4)18(12)22-15/h5-9,22H,1,10H2,2-4H3"	COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(=C)C4=C3C=C(C=C4)[N+](=O)[O-])OC)OC	DWSICZZEASBORM-UHFFFAOYSA-N
DG57397	2-Methoxy-N-[(octahydro-2H-quinolizin-1-yl)methyl]-benzamide	390679	"2-Methoxy-N-[(octahydro-2H-quinolizin-1-yl)methyl]-benzamide; 676531-07-0; NSC688315; CHEMBL1977170; DTXSID80327808; AKOS024274138; N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-methoxybenzamide; MCULE-5235623289; NSC-688315; NCI60_031882; DB-081883; FT-0720378; 2-Methoxy-N-(octahydro-2H-quinolizin-1-ylmethyl)benzamide; N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-methoxy-benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688315	.	.	.	.	302.4	C18H26N2O2	41.6	374	2.9	22	1	3	4	"InChI=1S/C18H26N2O2/c1-22-17-10-3-2-8-15(17)18(21)19-13-14-7-6-12-20-11-5-4-9-16(14)20/h2-3,8,10,14,16H,4-7,9,11-13H2,1H3,(H,19,21)"	COC1=CC=CC=C1C(=O)NCC2CCCN3C2CCCC3	AMOKRMWLMZIUII-UHFFFAOYSA-N
DG57398	Dimethyl (2-(phenylthio)ethyl)malonate	390699	84803-47-4; dimethyl 2-(2-phenylsulfanylethyl)propanedioate; NSC688340; EINECS 284-172-4; Dimethyl (2-(phenylthio)ethyl)malonate; CHEMBL1990942; DTXSID801005087; ZINC1651303; NSC-688340; Dimethyl 2-(2-(phenylthio)ethyl)malonate; NCI60_031898; Dimethyl [2-(phenylsulfanyl)ethyl]propanedioate; [2-(Phenylthio)ethyl]propanedioic acid dimethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688340	.	.	.	.	268.33	C13H16O4S	77.9	258	2.7	18	0	5	8	"InChI=1S/C13H16O4S/c1-16-12(14)11(13(15)17-2)8-9-18-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3"	COC(=O)C(CCSC1=CC=CC=C1)C(=O)OC	SRAYJSYVBOONEG-UHFFFAOYSA-N
DG57399	"3-Butyl-1,4-dihydropyrazol-5-one"	390701	"3-butyl-1,4-dihydropyrazol-5-one; NSC688342; 55120-06-4; 3H-Pyrazol-3-one, 5-butyl-2,4-dihydro-; SCHEMBL5566058; CHEMBL1977038; DTXSID40327809; 3-Butyl-1H-pyrazol-5(4H)-one; ZINC100362674; NSC-688342; 5-Butyl-2,4-dihydro-3H-pyrazol-3-one; 5-Butyl-2,4-dihydro-3H-pyrazole-3-one; NCI60_031900"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688342	.	.	.	.	140.18	C7H12N2O	41.5	163	0.9	10	1	2	3	"InChI=1S/C7H12N2O/c1-2-3-4-6-5-7(10)9-8-6/h2-5H2,1H3,(H,9,10)"	CCCCC1=NNC(=O)C1	LZKLBLBDAJYESY-UHFFFAOYSA-N
DG57400	1-(2-cyanoethyl)-3-phenyl-1-[3-[phenylcarbamoyl-[3-[N-(phenylcarbamoyl)anilino]propyl]amino]propyl]urea	390704	"NSC688346; CHEMBL1983541; NSC-688346; 1-(2-cyanoethyl)-3-phenyl-1-[3-[phenylcarbamoyl-[3-[N-(phenylcarbamoyl)anilino]propyl]amino]propyl]urea; NCI60_031903; N-[3-((Anilinocarbonyl){3-[(anilinocarbonyl)(2-cyanoethyl)amino]propyl}amino)propyl]-N,N'-diphenylurea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688346	.	.	.	.	617.7	C36H39N7O3	121	960	4.8	46	3	4	14	"InChI=1S/C36H39N7O3/c37-24-13-25-41(34(44)38-30-16-5-1-6-17-30)26-14-27-42(35(45)39-31-18-7-2-8-19-31)28-15-29-43(33-22-11-4-12-23-33)36(46)40-32-20-9-3-10-21-32/h1-12,16-23H,13-15,25-29H2,(H,38,44)(H,39,45)(H,40,46)"	C1=CC=C(C=C1)NC(=O)N(CCCN(CCC#N)C(=O)NC2=CC=CC=C2)CCCN(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4	FFEFURPCXNAPCS-UHFFFAOYSA-N
DG57401	1-(2-cyanoethyl)-3-phenyl-1-[2-[N-(phenylcarbamoyl)anilino]ethyl]urea	390707	"NSC688349; CHEMBL1978698; 1-(2-cyanoethyl)-3-phenyl-1-[2-[N-(phenylcarbamoyl)anilino]ethyl]urea; NSC-688349; NCI60_031906; 1-(2-Cyanoethyl)-1',3,3'-triphenyl[1,1'-ethylenebisurea]; 1-(2-Cyano-ethyl)-1-[2-(1,3-diphenyl-ureido)-ethyl]-3-phenyl-urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688349	.	.	.	.	427.5	C25H25N5O2	88.5	628	3.2	32	2	3	8	"InChI=1S/C25H25N5O2/c26-17-10-18-29(24(31)27-21-11-4-1-5-12-21)19-20-30(23-15-8-3-9-16-23)25(32)28-22-13-6-2-7-14-22/h1-9,11-16H,10,18-20H2,(H,27,31)(H,28,32)"	C1=CC=C(C=C1)NC(=O)N(CCC#N)CCN(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3	TXHVOBZSUFKHPV-UHFFFAOYSA-N
DG57402	1-(2-cyanoethyl)-3-phenyl-1-[2-[phenylcarbamoyl-[2-[N-(phenylcarbamoyl)anilino]ethyl]amino]ethyl]urea	390716	"NSC688358; CHEMBL1967791; NSC-688358; 1-(2-cyanoethyl)-3-phenyl-1-[2-[phenylcarbamoyl-[2-[N-(phenylcarbamoyl)anilino]ethyl]amino]ethyl]urea; NCI60_031915; 1-{2-[1-(2-Cyano-ethyl)-3-phenyl-ureido]-ethyl}-1-[2-(1,3-diphenyl-ureido)-ethyl]-3-phenyl-urea; 3-[1-[2-[1-[2-(1,3-Diphenylureido)ethyl]-3-phenylureido]ethyl]-3-phenylureido]propiononitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688358	.	.	.	.	589.7	C34H35N7O3	121	928	4.1	44	3	4	12	"InChI=1S/C34H35N7O3/c35-22-13-23-39(32(42)36-28-14-5-1-6-15-28)24-25-40(33(43)37-29-16-7-2-8-17-29)26-27-41(31-20-11-4-12-21-31)34(44)38-30-18-9-3-10-19-30/h1-12,14-21H,13,23-27H2,(H,36,42)(H,37,43)(H,38,44)"	C1=CC=C(C=C1)NC(=O)N(CCC#N)CCN(CCN(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4	PXUVKJAMCPOQPX-UHFFFAOYSA-N
DG57403	N-(9-ethylpurin-6-yl)acetamide	390720	NSC688362; N-(9-ethylpurin-6-yl)acetamide; N-(9-Ethyl-9H-purin-6-yl)acetamide; 79644-91-0; CHEMBL1985536; DTXSID50327810; NSC-688362; NCI60_031919	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688362	.	.	.	.	205.22	C9H11N5O	72.7	247	-0.4	15	1	4	2	"InChI=1S/C9H11N5O/c1-3-14-5-12-7-8(13-6(2)15)10-4-11-9(7)14/h4-5H,3H2,1-2H3,(H,10,11,13,15)"	CCN1C=NC2=C(N=CN=C21)NC(=O)C	IFNRWVWGORSDDJ-UHFFFAOYSA-N
DG57404	"7-Chloro-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile"	390734	"NSC688493; MLS002702380; 7-chloro-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile; CHEMBL1709759; NSC-688493; NCI60_031934; SMR001565942; 1,4-Dioxido-7-chloro-3-(4-(4-nitrophenyl)-1-piperazinil)-2-quinoxalinacarbonitrilo; 2-Cyano-7-chloro-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide; 2-Quinoxalinecarbonitrile, 7-chloro-3-[4-(4-nitrophenyl)-1-piperazinyl]-, 1,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688493	.	.	.	.	426.8	C19H15ClN6O4	123	776	2.4	30	0	8	2	"InChI=1S/C19H15ClN6O4/c20-13-1-6-16-17(11-13)24(27)18(12-21)19(25(16)28)23-9-7-22(8-10-23)14-2-4-15(5-3-14)26(29)30/h1-6,11H,7-10H2"	C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N(C4=C([N+]3=O)C=CC(=C4)Cl)[O-])C#N	KOWDAYQKISBTQV-UHFFFAOYSA-N
DG57405	"3-(4-Methoxyphenyl)-3,4,7,8,9,10-hexahydro-11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-11-one"	390741	"NSC688500; CHEMBL1988913; NSC-688500; 3-(4-Methoxyphenyl)-3,4,7,8,9,10-hexahydro-11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-11-one; NCI60_031941"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688500	.	.	.	.	366.4	C19H18N4O2S	85.7	631	3.2	26	0	5	2	"InChI=1S/C19H18N4O2S/c1-25-13-8-6-12(7-9-13)22-10-16-21-18-17(19(24)23(16)20-11-22)14-4-2-3-5-15(14)26-18/h6-9,11H,2-5,10H2,1H3"	COC1=CC=C(C=C1)N2CC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3N=C2	QZVYVLIWWXLUNM-UHFFFAOYSA-N
DG57406	"3-(4-Chlorophenyl)-3,4,7,8,9,10-hexahydro-11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-11-one"	390742	"NSC688501; CHEMBL2005797; ZINC1651332; NSC-688501; 3-(4-Chlorophenyl)-3,4,7,8,9,10-hexahydro-11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-11-one; NCI60_031942"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688501	.	.	.	.	370.9	C18H15ClN4OS	76.5	618	3.9	25	0	4	1	"InChI=1S/C18H15ClN4OS/c19-11-5-7-12(8-6-11)22-9-15-21-17-16(18(24)23(15)20-10-22)13-3-1-2-4-14(13)25-17/h5-8,10H,1-4,9H2"	C1CCC2=C(C1)C3=C(S2)N=C4CN(C=NN4C3=O)C5=CC=C(C=C5)Cl	RXANQZOMZWVURT-UHFFFAOYSA-N
DG57407	NSC688515	390757	"[6-[[(5S,8aR,9R)-9-[3,5-dimethoxy-4-[2-(4-methylpiperazin-1-yl)acetyl]oxyphenyl]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]oxy]-2-methyl-7-[2-(4-methylpiperazin-1-yl)acetyl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2-(4-methylpiperazin-1-yl)acetate; NSC688515; CHEMBL1972443; NSC-688515; NCI60_031954"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688515	.	.	.	.	1009.1	C50H68N6O16	199	1850	1.5	72	0	22	17	"InChI=1S/C50H68N6O16/c1-29-63-27-38-46(67-29)47(70-40(58)24-55-15-9-52(3)10-16-55)48(71-41(59)25-56-17-11-53(4)12-18-56)50(68-38)72-44-32-22-35-34(65-28-66-35)21-31(32)42(43-33(44)26-64-49(43)60)30-19-36(61-5)45(37(20-30)62-6)69-39(57)23-54-13-7-51(2)8-14-54/h19-22,29,33,38,42-44,46-48,50H,7-18,23-28H2,1-6H3/t29 ,33 ,38 ,42-,43+,44-,46 ,47 ,48 ,50 /m1/s1"	CC1OCC2C(O1)C(C(C(O2)O[C@H]3C4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OC(=O)CN8CCN(CC8)C)OC)OC(=O)CN9CCN(CC9)C)OC(=O)CN1CCN(CC1)C	LFRIRRVUVCGFBL-LTGFKREESA-N
DG57408	"5-(2-Chlorophenyl)-7-(methylthio)-5H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylic acid ethyl ester"	390763	"NSC688526; CHEMBL1976795; NSC-688526; NCI60_031960; 5-(2-Chlorophenyl)-7-(methylthio)-5H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylic acid ethyl ester; Ethyl 5-(2-chlorophenyl)-7-(methylthio)-5H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688526	.	.	.	.	404.9	C17H13ClN4O2S2	121	569	4.6	26	0	7	5	"InChI=1S/C17H13ClN4O2S2/c1-3-24-16(23)13-12-11-14(20-17(25-2)21-15(11)26-13)22(8-19-12)10-7-5-4-6-9(10)18/h4-8H,3H2,1-2H3"	CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(C=N2)C4=CC=CC=C4Cl	CNQNWKZPQLTWQK-UHFFFAOYSA-N
DG57409	methyl 2-[2-[3-(2-methoxy-2-oxo-ethyl)-1H-indol-2-yl]-1H-indol-3-yl]acetate	390772	"NSC688535; MLS002702381; CHEMBL1735886; ZINC1651348; NSC-688535; NCI60_031967; SMR001565943; [2,2'-Bi-1H-indole]-3,3'-diacetic acid, dimethyl ester; 2,2'-Bi[1H-indole]-3,3'-bis(acetic acid methyl) ester; methyl 2-[2-[3-(2-methoxy-2-oxo-ethyl)-1H-indol-2-yl]-1H-indol-3-yl]acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688535	.	.	.	.	376.4	C22H20N2O4	84.2	533	3.5	28	2	4	7	"InChI=1S/C22H20N2O4/c1-27-19(25)11-15-13-7-3-5-9-17(13)23-21(15)22-16(12-20(26)28-2)14-8-4-6-10-18(14)24-22/h3-10,23-24H,11-12H2,1-2H3"	COC(=O)CC1=C(NC2=CC=CC=C21)C3=C(C4=CC=CC=C4N3)CC(=O)OC	GYWJQUMLHUUBEH-UHFFFAOYSA-N
DG57410	"7-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-[(2-nitrophenyl)methyl]imidazo[4,5-d]triazin-4-one"	390776	"NSC688541; CHEMBL1987860; NSC-688541; NCI60_031972; 4H-Imidazo[4,5-d]-1,2,3-triazin-4-one, 7-(2-deoxypentofuranosyl)-3,7-dihydro-3-[(2-nitrophenyl)methyl]-; 7-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-[(2-nitrophenyl)methyl]imidazo[4,5-d]triazin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688541	.	.	.	.	388.33	C16H16N6O6	158	644	1	28	2	9	4	"InChI=1S/C16H16N6O6/c23-7-12-11(24)5-13(28-12)20-8-17-14-15(20)18-19-21(16(14)25)6-9-3-1-2-4-10(9)22(26)27/h1-4,8,11-13,23-24H,5-7H2"	C1C(C(OC1N2C=NC3=C2N=NN(C3=O)CC4=CC=CC=C4[N+](=O)[O-])CO)O	PQTBTUFOKXIBRS-UHFFFAOYSA-N
DG57411	5'-O-(Dimethoxytrityl)-N(sup 1)-(2-nitrobenzyl)-2-azainosine	390777	"NSC688542; CHEMBL1994188; NSC-688542; NCI60_031973; 5'-O-(Dimethoxytrityl)-N(sup 1)-(2-nitrobenzyl)-2-azainosine; 4H-Imidazo[4,5-d]-1,2,3-triazin-4-one, 7-[5-O-[bis(4-methoxyphenyl)phenylmethyl]pentofuranosyl]-3,7-dihydro-3-[(2-nitrophenyl)methyl]-; 7-[5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-3-[(2-nitrophenyl)methyl]imidazo[4,5-d]triazin-4-one; 7-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-beta-D-ribofurano~ syl]-3,5-d]1,2,3-triazine-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688542	.	.	.	.	706.7	C37H34N6O9	186	1210	4.6	52	2	12	11	"InChI=1S/C37H34N6O9/c1-49-27-16-12-25(13-17-27)37(24-9-4-3-5-10-24,26-14-18-28(50-2)19-15-26)51-21-30-32(44)33(45)36(52-30)41-22-38-31-34(41)39-40-42(35(31)46)20-23-8-6-7-11-29(23)43(47)48/h3-19,22,30,32-33,36,44-45H,20-21H2,1-2H3"	COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(C(C(O4)N5C=NC6=C5N=NN(C6=O)CC7=CC=CC=C7[N+](=O)[O-])O)O	RQSLPIDCZACCJF-UHFFFAOYSA-N
DG57412	"1,3-Dichloropyrido[1,2-a]benzimidazole-4-carbonitrile"	390778	"1,3-dichloropyrido[1,2-a]benzimidazole-4-carbonitrile; 170894-91-4; 1,3-Dichlorobenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile; NSC688689; CHEMBL1982291; MFCD28053713; ZINC13218812; NSC-688689; NCI60_031974; 1,3-Dichlorobenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, tech."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688689	.	.	.	.	262.089	C12H5Cl2N3	41.1	353	4.5	17	0	2	0	InChI=1S/C12H5Cl2N3/c13-8-5-11(14)17-10-4-2-1-3-9(10)16-12(17)7(8)6-15/h1-5H	C1=CC=C2C(=C1)N=C3N2C(=CC(=C3C#N)Cl)Cl	CVTXAWOAZPMVBL-UHFFFAOYSA-N
DG57413	"N4-(2-methoxyphenyl)-5-nitroso-pyrimidine-2,4,6-triamine"	390785	"NSC688719; CHEMBL1984545; ZINC5543135; NSC-688719; NCI60_031979; N4-(2-methoxyphenyl)-5-nitroso-pyrimidine-2,4,6-triamine; N~4~-(2-Methoxyphenyl)-5-nitroso-2,4,6-pyrimidinetriamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688719	.	.	.	.	260.25	C11H12N6O2	129	305	1.3	19	3	8	3	"InChI=1S/C11H12N6O2/c1-19-7-5-3-2-4-6(7)14-10-8(17-18)9(12)15-11(13)16-10/h2-5H,1H3,(H5,12,13,14,15,16)"	COC1=CC=CC=C1NC2=NC(=NC(=C2N=O)N)N	BHYJVVONQVFGIR-UHFFFAOYSA-N
DG57414	"N4-(3-methoxyphenyl)-5-nitroso-pyrimidine-2,4,6-triamine"	390786	"NSC688720; CHEMBL1991745; ZINC5543139; NSC-688720; NCI60_031980; N4-(3-methoxyphenyl)-5-nitroso-pyrimidine-2,4,6-triamine; N~4~-(3-Methoxyphenyl)-5-nitroso-2,4,6-pyrimidinetriamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688720	.	.	.	.	260.25	C11H12N6O2	129	305	1.3	19	3	8	3	"InChI=1S/C11H12N6O2/c1-19-7-4-2-3-6(5-7)14-10-8(17-18)9(12)15-11(13)16-10/h2-5H,1H3,(H5,12,13,14,15,16)"	COC1=CC=CC(=C1)NC2=NC(=NC(=C2N=O)N)N	IYRNUFPZVBVIKU-UHFFFAOYSA-N
DG57415	"N4-(4-ethoxyphenyl)pyrimidine-2,4,5,6-tetramine"	390790	"NSC688724; CHEMBL1975695; NSC-688724; NCI60_031984; N4-(4-ethoxyphenyl)pyrimidine-2,4,5,6-tetramine; N~4~-(4-Ethoxyphenyl)-2,4,5,6-pyrimidinetetramine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688724	.	.	.	.	260.3	C12H16N6O	125	271	1	19	4	7	4	"InChI=1S/C12H16N6O/c1-2-19-8-5-3-7(4-6-8)16-11-9(13)10(14)17-12(15)18-11/h3-6H,2,13H2,1H3,(H5,14,15,16,17,18)"	CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2N)N)N	NBPUMJMPVWDNJC-UHFFFAOYSA-N
DG57416	"3-(3-Methoxyphenyl)triazolo[4,5-d]pyrimidine-5,7-diamine"	390792	"NSC688726; CHEMBL1981018; 3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidine-5,7-diamine; ZINC13285459; 3-(3-Methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-diamine; NSC-688726; NCI60_031986"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688726	.	.	.	.	257.25	C11H11N7O	118	317	0.7	19	2	7	2	"InChI=1S/C11H11N7O/c1-19-7-4-2-3-6(5-7)18-10-8(16-17-18)9(12)14-11(13)15-10/h2-5H,1H3,(H4,12,13,14,15)"	COC1=CC=CC(=C1)N2C3=NC(=NC(=C3N=N2)N)N	JAMCVWXBRGICRC-UHFFFAOYSA-N
DG57417	"Methyl 4-(((3,6-dioxo-1,4-cyclohexadien-1-yl)methyl)amino)-2-hydroxybenzoate"	390795	"NSC688791; CHEMBL1973135; ZINC1651362; NSC-688791; NCI60_031989; Benzoic acid,6-dioxo-1,4-cyclohexadienylmethyl]amino]-2-hydroxy-, methyl ester; Methyl 4-(((3,6-dioxo-1,4-cyclohexadien-1-yl)methyl)amino)-2-hydroxybenzoate; methyl 4-[(3,6-dioxocyclohexa-1,4-dien-1-yl)methylamino]-2-hydroxy-benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688791	.	.	.	.	287.27	C15H13NO5	92.7	508	1.6	21	2	6	5	"InChI=1S/C15H13NO5/c1-21-15(20)12-4-2-10(7-14(12)19)16-8-9-6-11(17)3-5-13(9)18/h2-7,16,19H,8H2,1H3"	COC(=O)C1=C(C=C(C=C1)NCC2=CC(=O)C=CC2=O)O	MSZWFUNQRVBYKU-UHFFFAOYSA-N
DG57418	"2-[(4-Dimethoxyphosphorylanilino)methyl]benzene-1,4-diol"	390796	"MLS002702382; NSC688792; 2-[(4-dimethoxyphosphorylanilino)methyl]benzene-1,4-diol; SMR001565944; cid_390796; SCHEMBL3359754; CHEMBL1727349; BDBM80760; ZINC1651363; NSC-688792; NCI60_031990; 2-[(4-dimethoxyphosphorylanilino)methyl]hydroquinone; Dimethyl 4-((2,5-dihydroxybenzyl)amino)phenylphosphonate; 2-[[(4-dimethoxyphosphorylphenyl)amino]methyl]benzene-1,4-diol; Phenylphosphonic acid,5-dihydroxyphenyl)methyl]amino]-, dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688792	.	.	.	.	323.28	C15H18NO5P	88	378	1.8	22	3	6	6	"InChI=1S/C15H18NO5P/c1-20-22(19,21-2)14-6-3-12(4-7-14)16-10-11-9-13(17)5-8-15(11)18/h3-9,16-18H,10H2,1-2H3"	COP(=O)(C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O)OC	WBIBAACEZLKVDU-UHFFFAOYSA-N
DG57419	"7,8-Diacetoxy-4-methylcoumarin"	390798	"7,8-diacetoxy-4-methylcoumarin; NSC688794; 68454-15-9; (8-acetyloxy-4-methyl-2-oxochromen-7-yl) acetate; Oprea1_472625; CHEMBL86633; SCHEMBL3052874; DTXSID70327812; ZINC303890; MCULE-2029840374; NSC-688794; NCI60_031992; 4-Methyl-2-oxo-2H-chromene-7,8-diyl diacetate; (8-acetoxy-4-methyl-2-oxo-chromen-7-yl) acetate; SR-01000244966; SR-01000244966-1; 7-(Acetyloxy)-4-methyl-2-oxo-2H-chromen-8-yl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688794	.	.	.	.	276.24	C14H12O6	78.9	466	1.3	20	0	6	4	"InChI=1S/C14H12O6/c1-7-6-12(17)20-13-10(7)4-5-11(18-8(2)15)14(13)19-9(3)16/h4-6H,1-3H3"	CC1=CC(=O)OC2=C1C=CC(=C2OC(=O)C)OC(=O)C	BENRIKOGQFXSRY-UHFFFAOYSA-N
DG57420	"Ethyl 2-(7,8-diacetoxy-4-methyl-2-oxo-chromen-3-yl)acetate"	390806	"NSC688804; CHEMBL1969055; ZINC1651367; NSC-688804; NCI60_032002; ethyl 2-(7,8-diacetoxy-4-methyl-2-oxo-chromen-3-yl)acetate; Ethyl (7,8-bis(acetyloxy)-4-methyl-2-oxo-2H-chromen-3-yl)acetate; 7,8-Bis(acetyloxy)-3-(ethoxycarbonylmethyl)-4-methyl-2H-1-benzopyran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688804	.	.	.	.	362.3	C18H18O8	105	635	1.5	26	0	8	8	"InChI=1S/C18H18O8/c1-5-23-15(21)8-13-9(2)12-6-7-14(24-10(3)19)17(25-11(4)20)16(12)26-18(13)22/h6-7H,5,8H2,1-4H3"	CCOC(=O)CC1=C(C2=C(C(=C(C=C2)OC(=O)C)OC(=O)C)OC1=O)C	YJFRZJKLQHGSIB-UHFFFAOYSA-N
DG57421	Diethyl 2-[[4-[[(3-ethoxycarbonylquinoxalin-2-yl)amino]methyl]benzoyl]amino]pentanedioate	390808	NSC688810; CHEMBL1964825; NSC-688810; diethyl 2-[[4-[[(3-ethoxycarbonylquinoxalin-2-yl)amino]methyl]benzoyl]amino]pentanedioate; NCI60_032003; 2-[(1-{4-[(3-Ethoxycarbonyl-quinoxalin-2-ylamino)-methyl]-phenyl}-methanoyl)-amino]-pentanedioic acid diethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688810	.	.	.	.	536.6	C28H32N4O7	146	818	4.3	39	2	10	16	"InChI=1S/C28H32N4O7/c1-4-37-23(33)16-15-22(27(35)38-5-2)32-26(34)19-13-11-18(12-14-19)17-29-25-24(28(36)39-6-3)30-20-9-7-8-10-21(20)31-25/h7-14,22H,4-6,15-17H2,1-3H3,(H,29,31)(H,32,34)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N=C2C(=O)OCC	GPMILDVFCMXSGX-UHFFFAOYSA-N
DG57422	Diethyl 2-[[4-(3-phenylquinoxalin-2-yl)oxybenzoyl]amino]pentanedioate	390812	NSC688814; CHEMBL1999339; diethyl 2-[[4-(3-phenylquinoxalin-2-yl)oxybenzoyl]amino]pentanedioate; NSC-688814; NCI60_032007; Diethyl 2-((4-((3-phenyl-2-quinoxalinyl)oxy)benzoyl)amino)pentanedioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688814	.	.	.	.	527.6	C30H29N3O6	117	796	4.9	39	1	8	13	"InChI=1S/C30H29N3O6/c1-3-37-26(34)19-18-25(30(36)38-4-2)32-28(35)21-14-16-22(17-15-21)39-29-27(20-10-6-5-7-11-20)31-23-12-8-9-13-24(23)33-29/h5-17,25H,3-4,18-19H2,1-2H3,(H,32,35)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4	AJNJXJUIOUWSOF-UHFFFAOYSA-N
DG57423	Diethyl 2-[[4-[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoyl]amino]pentanedioate	390814	NSC688816; CHEMBL1971650; NSC-688816; diethyl 2-[[4-[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoyl]amino]pentanedioate; NCI60_032009; Diethyl 2-((4-((3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl)oxy)benzoyl)amino)pentanedioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688816	.	.	.	.	595.6	C31H28F3N3O6	117	923	5.8	43	1	11	13	"InChI=1S/C31H28F3N3O6/c1-3-41-26(38)17-16-24(30(40)42-4-2)36-28(39)20-10-13-22(14-11-20)43-29-27(19-8-6-5-7-9-19)35-25-18-21(31(32,33)34)12-15-23(25)37-29/h5-15,18,24H,3-4,16-17H2,1-2H3,(H,36,39)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4	DLQOKBBSFUTDLQ-UHFFFAOYSA-N
DG57424	"6-(Trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylic acid"	390816	"NSC688818; 6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylic acid; CHEMBL1984801; ZINC1651372; NSC-688818; NCI60_032011; Trifluoromethyl-(3,4,5-trimethoxy-benzylamino)-quinoxaline-2-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688818	.	.	.	.	437.4	C20H18F3N3O5	103	597	4.2	31	2	11	7	"InChI=1S/C20H18F3N3O5/c1-29-14-6-10(7-15(30-2)17(14)31-3)9-24-18-16(19(27)28)25-12-5-4-11(20(21,22)23)8-13(12)26-18/h4-8H,9H2,1-3H3,(H,24,26)(H,27,28)"	COC1=CC(=CC(=C1OC)OC)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O	SFXDEUHOPIPJQQ-UHFFFAOYSA-N
DG57425	3-[(4-Fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid	390820	NSC688822; CHEMBL1973996; 3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid; ZINC1651376; BDBM50517945; NSC-688822; 3-[(4-fluorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid; NCI60_032015; Q27453567; 3-((4-Fluorobenzyl)amino)-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid; 36C	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688822	.	.	.	.	365.28	C17H11F4N3O2	75.1	497	4.4	26	2	9	4	"InChI=1S/C17H11F4N3O2/c18-11-4-1-9(2-5-11)8-22-15-14(16(25)26)23-12-6-3-10(17(19,20)21)7-13(12)24-15/h1-7H,8H2,(H,22,24)(H,25,26)"	C1=CC(=CC=C1CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O)F	HUDWVBGXXJRCNV-UHFFFAOYSA-N
DG57426	"Perylene-4, 5,8-dihydroxy-1,3,10,12-tetramethoxy-6,7-dipropyl-"	390875	"NSC688978; CHEMBL1996202; NSC-688978; NCI60_032060; Perylene-4, 5,8-dihydroxy-1,3,10,12-tetramethoxy- 6,7-dipropyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688978	.	.	.	.	518.6	C30H30O8	112	936	5.8	38	2	8	8	"InChI=1S/C30H30O8/c1-7-9-13-19-20-14(10-8-2)28(32)30(34)24-18(38-6)12-16(36-4)22(26(20)24)21-15(35-3)11-17(37-5)23(25(19)21)29(33)27(13)31/h11-12,31-32H,7-10H2,1-6H3"	CCCC1=C(C(=O)C2=C(C=C(C3=C4C(=CC(=C5C4=C(C1=C32)C(=C(C5=O)O)CCC)OC)OC)OC)OC)O	XZJHHJVRLNPXAU-UHFFFAOYSA-N
DG57427	"2,11-dihydroxy-1,12-bis[(2R)-2-hydroxypropyl]-4,6,7,9-tetramethoxyperylene-3,10-dione"	390877	NSC688980; CHEMBL1991996; NSC-688980; NCI60_032062	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688980	.	.	.	.	550.6	C30H30O10	152	998	3.2	40	4	10	8	"InChI=1S/C30H30O10/c1-11(31)7-13-19-20-14(8-12(2)32)28(34)30(36)24-18(40-6)10-16(38-4)22(26(20)24)21-15(37-3)9-17(39-5)23(25(19)21)29(35)27(13)33/h9-12,31-34H,7-8H2,1-6H3/t11-,12-/m1/s1"	C[C@H](CC1=C(C(=O)C2=C(C=C(C3=C4C(=CC(=C5C4=C(C1=C32)C(=C(C5=O)O)C[C@@H](C)O)OC)OC)OC)OC)O)O	HZWAGEBGVYHLIB-VXGBXAGGSA-N
DG57428	4-(Bromomethyl)pent-4-enoxymethylbenzene	390880	NSC688991; 4-(bromomethyl)pent-4-enoxymethylbenzene; CHEMBL2003880; ZINC1651433; NSC-688991; Benzyl 4-(bromomethyl)-4-pentenyl ether; NCI60_032064; (((4-(Bromomethyl)-4-pentenyl)oxy)methyl)benzene	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688991	.	.	.	.	269.18	C13H17BrO	9.2	173	3.9	15	0	1	7	"InChI=1S/C13H17BrO/c1-12(10-14)6-5-9-15-11-13-7-3-2-4-8-13/h2-4,7-8H,1,5-6,9-11H2"	C=C(CCCOCC1=CC=CC=C1)CBr	LAOXPBWUTRNKTE-UHFFFAOYSA-N
DG57429	4-(Benzyloxy)-2-hydroxybutanenitrile	390881	NSC688992; 4-(Benzyloxy)-2-hydroxybutanenitrile; CHEMBL1972714; 4-benzyloxy-2-hydroxy-butanenitrile; NSC-688992; NCI60_032065	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688992	.	.	.	.	191.23	C11H13NO2	53.2	191	1.1	14	1	3	5	"InChI=1S/C11H13NO2/c12-8-11(13)6-7-14-9-10-4-2-1-3-5-10/h1-5,11,13H,6-7,9H2"	C1=CC=C(C=C1)COCCC(C#N)O	KMIYMJQNHUMXPH-UHFFFAOYSA-N
DG57430	1-Heptylsulfanyl-3-trityloxy-propan-2-ol	390882	NSC688993; CHEMBL2001536; NSC-688993; 1-heptylsulfanyl-3-trityloxy-propan-2-ol; NCI60_032066; 1-(Heptylthio)-3-(trityloxy)-2-propanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688993	.	.	.	.	448.7	C29H36O2S	54.8	418	7.7	32	1	3	14	"InChI=1S/C29H36O2S/c1-2-3-4-5-15-22-32-24-28(30)23-31-29(25-16-9-6-10-17-25,26-18-11-7-12-19-26)27-20-13-8-14-21-27/h6-14,16-21,28,30H,2-5,15,22-24H2,1H3"	CCCCCCCSCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O	PFASJRQFQOEXMR-UHFFFAOYSA-N
DG57431	"2-Phenyl-5-(tetrahydro-2H-pyran-2-yloxy)-1,3-dioxane"	390883	"NSC688994; 2-Phenyl-5-(tetrahydro-2H-pyran-2-yloxy)-1,3-dioxane; CHEMBL1971853; NSC-688994; NCI60_032067; 2-phenyl-5-tetrahydropyran-2-yloxy-1,3-dioxane; 2-Phenyl-1,3-dioxan-5-yl tetrahydro-2H-pyran-2-yl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688994	.	.	.	.	264.32	C15H20O4	36.9	257	2.1	19	0	4	3	"InChI=1S/C15H20O4/c1-2-6-12(7-3-1)15-17-10-13(11-18-15)19-14-8-4-5-9-16-14/h1-3,6-7,13-15H,4-5,8-11H2"	C1CCOC(C1)OC2COC(OC2)C3=CC=CC=C3	LKAOBASWHBEPCP-UHFFFAOYSA-N
DG57432	"2-[4-[3-(4-Methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-5-methyl-2-phenyl-pyrazol-3-yl]-5-methyl-phenol"	390886	"NSC688997; CHEMBL1973854; NSC-688997; NCI60_032070; 2-[4-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-5-methyl-2-phenyl-pyrazol-3-yl]-5-methyl-phenol; Phenol, 2-[4,5-dihydro-5-(4-methoxyphenyl)-3'-methyl-1,1'-diphenyl[3,4'-bi-1H-pyrazol]-5'-yl]-5-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688997	.	.	.	.	514.6	C33H30N4O2	62.9	817	7	39	1	5	6	"InChI=1S/C33H30N4O2/c1-22-14-19-28(31(38)20-22)33-32(23(2)34-37(33)26-12-8-5-9-13-26)29-21-30(24-15-17-27(39-3)18-16-24)36(35-29)25-10-6-4-7-11-25/h4-20,30,38H,21H2,1-3H3"	CC1=CC(=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3)C)C4=NN(C(C4)C5=CC=C(C=C5)OC)C6=CC=CC=C6)O	CBMCEBBIEASKKH-UHFFFAOYSA-N
DG57433	"methyl 4-oxo-5H-furo[2,3-b][1,5]benzothiazepine-2-carboxylate"	390887	"NSC688998; CHEMBL1980768; methyl 4-oxo-5H-furo[2,3-b][1,5]benzothiazepine-2-carboxylate; ZINC1651436; Methyl 4-oxo-4,5-dihydrofuro[2,3-b][1,5]benzothiazepine-2-carboxylate; NSC-688998; NCI60_032071; 10-Oxo-9,10-dihydro-3-oxa-4-thia-9-azabenz[f]azulene-2-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688998	.	.	.	.	275.28	C13H9NO4S	93.8	389	2.5	19	1	5	2	"InChI=1S/C13H9NO4S/c1-17-12(16)9-6-7-11(15)14-8-4-2-3-5-10(8)19-13(7)18-9/h2-6H,1H3,(H,14,15)"	COC(=O)C1=CC2=C(O1)SC3=CC=CC=C3NC2=O	VHQVBVAKNHBELC-UHFFFAOYSA-N
DG57434	"Ethyl 6-bromo-1-butyl-5-[[4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl]methoxy]-2-methyl-indole-3-carboxylate"	390889	"NSC689000; CHEMBL2000251; ZINC1651438; NSC-689000; NCI60_032073; Ethyl 6-bromo-1-butyl-5-((4-(((2,5-dimethyl-1H-pyrrol-1-yl)amino)carbonyl)benzyl)oxy)-2-methyl-1H-indole-3-carboxylate; ethyl 6-bromo-1-butyl-5-[[4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl]methoxy]-2-methyl-indole-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689000	.	.	.	.	580.5	C30H34BrN3O4	74.5	782	6.8	38	1	4	11	"InChI=1S/C30H34BrN3O4/c1-6-8-15-33-21(5)28(30(36)37-7-2)24-16-27(25(31)17-26(24)33)38-18-22-11-13-23(14-12-22)29(35)32-34-19(3)9-10-20(34)4/h9-14,16-17H,6-8,15,18H2,1-5H3,(H,32,35)"	CCCCN1C(=C(C2=CC(=C(C=C21)Br)OCC3=CC=C(C=C3)C(=O)NN4C(=CC=C4C)C)C(=O)OCC)C	IEFSLWBEJOZUNQ-UHFFFAOYSA-N
DG57435	"2-((4-(2,2,2-Trifluoro-1-hydroxyethyl)anilino)methyl)-1,4-benzenediol"	390890	"NSC689001; 2-((4-(2,2,2-Trifluoro-1-hydroxyethyl)anilino)methyl)-1,4-benzenediol; CHEMBL1992716; NSC-689001; NCI60_032074; 2-[[4-(2,2,2-trifluoro-1-hydroxy-ethyl)anilino]methyl]benzene-1,4-diol; Benzenemethanol,5-dihydroxyphenyl)methyl]amino]-.alpha.-(trifluoromethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689001	.	.	.	.	313.27	C15H14F3NO3	72.7	345	3	22	4	7	4	"InChI=1S/C15H14F3NO3/c16-15(17,18)14(22)9-1-3-11(4-2-9)19-8-10-7-12(20)5-6-13(10)21/h1-7,14,19-22H,8H2"	C1=CC(=CC=C1C(C(F)(F)F)O)NCC2=C(C=CC(=C2)O)O	YPAWXJGXRNYNDI-UHFFFAOYSA-N
DG57436	"Acridine-3,6-diamine;10-methylacridin-10-ium-3,6-diamine;chloride;hydrochloride"	390892	"acridine-3,6-diamine;10-methylacridin-10-ium-3,6-diamine;chloride;hydrochloride; Acriflavinehydrochloride; CHEMBL1977761; NSC689003; Mixture of 3,6-diaminoacridine hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689003	.	.	.	.	505.4	C27H26Cl2N6	121	486	.	35	5	6	0	"InChI=1S/C14H13N3.C13H11N3.2ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;2*1H"	C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.Cl.[Cl-]	QEUYATCJHJUQML-UHFFFAOYSA-N
DG57437	"11-[2-(1-Piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole"	390893	"NSC689068; CHEMBL1968017; NSC-689068; NCI60_032078; 11-[2-(1-piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole; 5,6-Dihydro-11-(2-piperidinoethyl)-11H-benzo[a]carbazole; 11-(2-(1-Piperidinyl)ethyl)-6,11-dihydro-5H-benzo[a]carbazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689068	.	.	.	.	330.5	C23H26N2	8.2	443	4.8	25	0	1	3	"InChI=1S/C23H26N2/c1-6-14-24(15-7-1)16-17-25-22-11-5-4-10-20(22)21-13-12-18-8-2-3-9-19(18)23(21)25/h2-5,8-11H,1,6-7,12-17H2"	C1CCN(CC1)CCN2C3=CC=CC=C3C4=C2C5=CC=CC=C5CC4	BFMLLEPJKURZQZ-UHFFFAOYSA-N
DG57438	"4-[2-(5,6-Dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine"	390894	"NSC689069; CHEMBL1970640; 4-[2-(5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine; NSC-689069; NCI60_032079; 5,6-Dihydro-11-(2-morpholinoethyl)-11H-benzo[a]carbazole; 11-(2-(4-Morpholinyl)ethyl)-6,11-dihydro-5H-benzo[a]carbazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689069	.	.	.	.	332.4	C22H24N2O	17.4	449	3.6	25	0	2	3	"InChI=1S/C22H24N2O/c1-2-6-18-17(5-1)9-10-20-19-7-3-4-8-21(19)24(22(18)20)12-11-23-13-15-25-16-14-23/h1-8H,9-16H2"	C1CC2=C(C3=CC=CC=C31)N(C4=CC=CC=C24)CCN5CCOCC5	RQQICBVJVOOZOB-UHFFFAOYSA-N
DG57439	"2-(5,6-dihydrobenzo[a]carbazol-11-yl)-N,N-dimethyl-ethanamine"	390895	"NSC689070; CHEMBL1987088; NSC-689070; NCI60_032080; 2-(5,6-Dihydro-11H-benzo[a]carbazol-11-yl)-N,N-dimethylethanamine; 2-(5,6-dihydrobenzo[a]carbazol-11-yl)-N,N-dimethyl-ethanamine; 5,6-Dihydro-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole; N-(2-(5,6-Dihydro-11H-benzo[a]carbazol-11-yl)ethyl)-N,N-dimethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689070	.	.	.	.	290.4	C20H22N2	8.2	380	3.9	22	0	1	3	"InChI=1S/C20H22N2/c1-21(2)13-14-22-19-10-6-5-9-17(19)18-12-11-15-7-3-4-8-16(15)20(18)22/h3-10H,11-14H2,1-2H3"	CN(C)CCN1C2=CC=CC=C2C3=C1C4=CC=CC=C4CC3	MQZGSCSEVBZFSM-UHFFFAOYSA-N
DG57440	"4-[2-(2-Methoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine"	390898	"NSC689073; CHEMBL1985212; 4-[2-(2-methoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine; NSC-689073; NCI60_032083; 2-Methoxy-11-(2-(4-morpholinyl)ethyl)-6,11-dihydro-5H-benzo[a]carbazole; 5,6-Dihydro-2-methoxy-11-(2-morpholinoethyl)-11H-benzo[a]carbazole; Methyl 11-(2-(4-morpholinyl)ethyl)-6,11-dihydro-5H-benzo[a]carbazol-2-yl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689073	.	.	.	.	362.5	C23H26N2O2	26.6	495	3.5	27	0	3	4	"InChI=1S/C23H26N2O2/c1-26-18-8-6-17-7-9-20-19-4-2-3-5-22(19)25(23(20)21(17)16-18)11-10-24-12-14-27-15-13-24/h2-6,8,16H,7,9-15H2,1H3"	COC1=CC2=C(CCC3=C2N(C4=CC=CC=C34)CCN5CCOCC5)C=C1	OADMYZYVJIFDEM-UHFFFAOYSA-N
DG57441	"2-(3,8-dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)-N,N-dimethyl-ethanamine"	390906	"NSC689081; CHEMBL1981705; NSC-689081; NCI60_032091; 2-(3,8-Dimethoxy-5,6-dihydro-11H-benzo[a]carbazol-11-yl)-N,N-dimethylethanamine; 2-(3,8-dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)-N,N-dimethyl-ethanamine; 5,6-Dihydro-3,8-dimethoxy-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole; N-(2-(3,8-Dimethoxy-5,6-dihydro-11H-benzo[a]carbazol-11-yl)ethyl)-N,N-dimethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689081	.	.	.	.	350.5	C22H26N2O2	26.6	471	3.9	26	0	3	5	"InChI=1S/C22H26N2O2/c1-23(2)11-12-24-21-10-7-17(26-4)14-20(21)19-8-5-15-13-16(25-3)6-9-18(15)22(19)24/h6-7,9-10,13-14H,5,8,11-12H2,1-4H3"	CN(C)CCN1C2=C(C=C(C=C2)OC)C3=C1C4=C(CC3)C=C(C=C4)OC	DCUZWYULPUJECK-UHFFFAOYSA-N
DG57442	"2-(4-Methoxyphenyl)-5-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	390910	"NSC689131; CHEMBL1975949; NSC-689131; 2-(4-Methoxyphenyl)-5-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; NCI60_032095"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689131	.	.	.	.	476.6	C31H28N2O3	62.4	847	5.8	36	1	3	3	"InChI=1S/C31H28N2O3/c1-36-21-14-12-20(13-15-21)33-30(34)27-24-17-19(18-7-3-2-4-8-18)11-16-22(24)26-23-9-5-6-10-25(23)32-29(26)28(27)31(33)35/h2-10,12-15,19,22,24,27-28,32H,11,16-17H2,1H3"	COC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C7=CC=CC=C7	CIYQXMCNGXZKMO-UHFFFAOYSA-N
DG57443	"9-Methoxy-2-(4-methoxyphenyl)-5-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	390911	"NSC689132; CHEMBL2002694; NSC-689132; 9-Methoxy-2-(4-methoxyphenyl)-5-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; NCI60_032096; methoxy-(4-methoxyphenyl)-phenyl-[ ]dione; 1H,4-a]carbazole-1,3-dione, 2,3a,3b,4,5,6,7,7a-octahydro-9-methoxy- 2-(4-methoxyphenyl)-5-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689132	.	.	.	.	506.6	C32H30N2O4	71.6	896	5.8	38	1	4	4	"InChI=1S/C32H30N2O4/c1-37-21-11-9-20(10-12-21)34-31(35)28-24-16-19(18-6-4-3-5-7-18)8-14-23(24)27-25-17-22(38-2)13-15-26(25)33-30(27)29(28)32(34)36/h3-7,9-13,15,17,19,23-24,28-29,33H,8,14,16H2,1-2H3"	COC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=C5C=C(C=C6)OC)C7=CC=CC=C7	DEXLCGGYIACTEW-UHFFFAOYSA-N
DG57444	"9-(Benzyloxy)-2-(4-methoxyphenyl)-5-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	390912	"NSC689133; CHEMBL1970336; NSC-689133; 9-(Benzyloxy)-2-(4-methoxyphenyl)-5-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; NCI60_032097; benzyloxy-(4-methoxyphenyl)-phenyl-[ ]dione; 1H,4-a]carbazole-1,3-dione, 2,3a,3b,4,5,6,7,7a-octahydro-2-(4-methoxyphenyl)- 5-phenyl-9-(phenylmethoxy)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689133	.	.	.	.	582.7	C38H34N2O4	71.6	1030	7.3	44	1	4	6	"InChI=1S/C38H34N2O4/c1-43-27-15-13-26(14-16-27)40-37(41)34-30-20-25(24-10-6-3-7-11-24)12-18-29(30)33-31-21-28(44-22-23-8-4-2-5-9-23)17-19-32(31)39-36(33)35(34)38(40)42/h2-11,13-17,19,21,25,29-30,34-35,39H,12,18,20,22H2,1H3"	COC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=C5C=C(C=C6)OCC7=CC=CC=C7)C8=CC=CC=C8	CSQGVWKJGSRMAL-UHFFFAOYSA-N
DG57445	"2-(4-Methoxyphenyl)-11-methyl-5-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	390913	"NSC689134; CHEMBL2004249; NSC-689134; 2-(4-Methoxyphenyl)-11-methyl-5-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; NCI60_032098"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689134	.	.	.	.	490.6	C32H30N2O3	62.4	877	6.2	37	1	3	3	"InChI=1S/C32H30N2O3/c1-18-7-6-10-24-26-23-16-11-20(19-8-4-3-5-9-19)17-25(23)27-28(30(26)33-29(18)24)32(36)34(31(27)35)21-12-14-22(37-2)15-13-21/h3-10,12-15,20,23,25,27-28,33H,11,16-17H2,1-2H3"	CC1=C2C(=CC=C1)C3=C(N2)C4C(C5C3CCC(C5)C6=CC=CC=C6)C(=O)N(C4=O)C7=CC=C(C=C7)OC	YYRMECDQTJRLCR-UHFFFAOYSA-N
DG57446	"9-Fluoro-2-(4-methoxyphenyl)-5-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	390914	"NSC689135; CHEMBL1974581; NSC-689135; 9-Fluoro-2-(4-methoxyphenyl)-5-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; NCI60_032099; fluoro-(4-methoxyphenyl)-phenyl-[ ]dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689135	.	.	.	.	494.6	C31H27FN2O3	62.4	884	5.9	37	1	4	3	"InChI=1S/C31H27FN2O3/c1-37-21-11-9-20(10-12-21)34-30(35)27-23-15-18(17-5-3-2-4-6-17)7-13-22(23)26-24-16-19(32)8-14-25(24)33-29(26)28(27)31(34)36/h2-6,8-12,14,16,18,22-23,27-28,33H,7,13,15H2,1H3"	COC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=C5C=C(C=C6)F)C7=CC=CC=C7	WNALTOKJDUZWSB-UHFFFAOYSA-N
DG57447	"4-(4-Methoxyphenyl)-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	390915	"NSC689136; CHEMBL1987911; isopropyl-(4-methoxyphenyl)[ ]dione; NSC-689136; NCI60_032100; 5-Isopropyl-2-(4-methoxyphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689136	.	.	.	.	442.5	C28H30N2O3	62.4	775	5.6	33	1	3	3	"InChI=1S/C28H30N2O3/c1-15(2)16-8-13-19-21(14-16)24-25(26-23(19)20-6-4-5-7-22(20)29-26)28(32)30(27(24)31)17-9-11-18(33-3)12-10-17/h4-7,9-12,15-16,19,21,24-25,29H,8,13-14H2,1-3H3"	CC(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC	KEVCAWKQNSOOMZ-UHFFFAOYSA-N
DG57448	NSC689137	390916	"16-Methoxy-4-(4-methoxyphenyl)-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione; NSC689137; CHEMBL2005111; NSC-689137; NCI60_032101; isopropyl-methoxy-(4-methoxyphenyl)[ ]dione; 5-Isopropyl-9-methoxy-2-(4-methoxyphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689137	.	.	.	.	472.6	C29H32N2O4	71.6	824	5.6	35	1	4	4	"InChI=1S/C29H32N2O4/c1-15(2)16-5-11-20-21(13-16)25-26(27-24(20)22-14-19(35-4)10-12-23(22)30-27)29(33)31(28(25)32)17-6-8-18(34-3)9-7-17/h6-10,12,14-16,20-21,25-26,30H,5,11,13H2,1-4H3"	CC(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)OC)C(=O)N(C3=O)C6=CC=C(C=C6)OC	UGUWXTYIIXLQET-UHFFFAOYSA-N
DG57449	NSC689138	390917	"4-(4-Methoxyphenyl)-16-phenylmethoxy-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione; NSC689138; NCIChal_000036; CHEMBL1975153; NSC-689138; NCI60_032102; benzyloxy-isopropyl-(4-methoxyphenyl)[ ]dione; 1H,4-a]carbazole-1,3-dione, 2,3a,3b,4,5,6,7,7a-octahydro-2-(4-methoxyphenyl)- 5-(1-methylethyl)-9-(phenylmethoxy)-; 9-(Benzyloxy)-5-isopropyl-2-(4-methoxyphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689138	.	.	.	.	548.7	C35H36N2O4	71.6	956	7.1	41	1	4	6	"InChI=1S/C35H36N2O4/c1-20(2)22-9-15-26-27(17-22)31-32(35(39)37(34(31)38)23-10-12-24(40-3)13-11-23)33-30(26)28-18-25(14-16-29(28)36-33)41-19-21-7-5-4-6-8-21/h4-8,10-14,16,18,20,22,26-27,31-32,36H,9,15,17,19H2,1-3H3"	CC(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)OCC6=CC=CC=C6)C(=O)N(C3=O)C7=CC=C(C=C7)OC	IJWCSICEPZKPQX-UHFFFAOYSA-N
DG57450	NSC689139	390918	"4-(4-Methoxyphenyl)-16-methyl-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione; NSC689139; CHEMBL1989221; NSC-689139; NCI60_032103; 5-Isopropyl-2-(4-methoxyphenyl)-9-methyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689139	.	.	.	.	456.6	C29H32N2O3	62.4	805	6	34	1	3	3	"InChI=1S/C29H32N2O3/c1-15(2)17-6-11-20-21(14-17)25-26(27-24(20)22-13-16(3)5-12-23(22)30-27)29(33)31(28(25)32)18-7-9-19(34-4)10-8-18/h5,7-10,12-13,15,17,20-21,25-26,30H,6,11,14H2,1-4H3"	CC1=CC2=C(C=C1)NC3=C2C4CCC(CC4C5C3C(=O)N(C5=O)C6=CC=C(C=C6)OC)C(C)C	NHNUPBOJTOSGJV-UHFFFAOYSA-N
DG57451	"2-(4-Methoxyphenyl)-9-methyl-5-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	390919	"NSC689140; CHEMBL2001317; NSC-689140; 2-(4-Methoxyphenyl)-9-methyl-5-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; NCI60_032104; 1H,4-a]carbazole-1,3-dione, 2,3a,3b,4,5,6,7,7a-octahydro-2-(4-methoxyphenyl)- 9-methyl-5-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689140	.	.	.	.	490.6	C32H30N2O3	62.4	877	6.2	37	1	3	3	"InChI=1S/C32H30N2O3/c1-18-8-15-26-25(16-18)27-23-14-9-20(19-6-4-3-5-7-19)17-24(23)28-29(30(27)33-26)32(36)34(31(28)35)21-10-12-22(37-2)13-11-21/h3-8,10-13,15-16,20,23-24,28-29,33H,9,14,17H2,1-2H3"	CC1=CC2=C(C=C1)NC3=C2C4CCC(CC4C5C3C(=O)N(C5=O)C6=CC=C(C=C6)OC)C7=CC=CC=C7	OGDCFWZASLYBBX-UHFFFAOYSA-N
DG57452	NSC689141	390920	"4-(4-Methoxyphenyl)-18-methyl-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione; NSC689141; CHEMBL1976949; NSC-689141; NCI60_032105; 5-Isopropyl-2-(4-methoxyphenyl)-11-methyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689141	.	.	.	.	456.6	C29H32N2O3	62.4	805	6	34	1	3	3	"InChI=1S/C29H32N2O3/c1-15(2)17-8-13-20-22(14-17)24-25(27-23(20)21-7-5-6-16(3)26(21)30-27)29(33)31(28(24)32)18-9-11-19(34-4)12-10-18/h5-7,9-12,15,17,20,22,24-25,30H,8,13-14H2,1-4H3"	CC1=C2C(=CC=C1)C3=C(N2)C4C(C5C3CCC(C5)C(C)C)C(=O)N(C4=O)C6=CC=C(C=C6)OC	SHRDPJMXEWIAGO-UHFFFAOYSA-N
DG57453	"6-Methylsulfanyl-9-oxo-5,7,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,11,13,15-heptaene-2-carbonitrile"	390930	"NSC689176; CHEMBL1997452; NSC-689176; NCI60_032114; 2-(Methylthio)-12-oxo-6,12-dihydropyrimido[5',4':4,5]pyrido[1,2-a]benzimidazole-5-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689176	.	.	.	.	307.3	C15H9N5OS	107	582	1.8	22	1	6	1	"InChI=1S/C15H9N5OS/c1-22-15-17-7-9-8(6-16)13-18-10-4-2-3-5-11(10)20(13)14(21)12(9)19-15/h2-5,7,18H,1H3"	CSC1=NC=C2C(=C3NC4=CC=CC=C4N3C(=O)C2=N1)C#N	RJULJOABIGVIFL-UHFFFAOYSA-N
DG57454	"2,3,4-Tribenzyloxy-6,8-dioxabicyclo[3.2.1]octane"	390934	"NSC689187; (1R,2R,3S,4R,5R)-2,3,4-tris(benzyloxy)-6,8-dioxabicyclo[3.2.1]octane; CHEMBL1982920; SCHEMBL21275874; STK761207; AKOS001726948; MCULE-3182651442; NSC-689187; NCGC00332944-01; NCI60_032118; FT-0662216; AB01326535-02; SR-01000526351; SR-01000526351-1; 2,3,4-tribenzyloxy-6,8-dioxabicyclo[3.2.1]octane; 2,3,4-tris(benzyloxy)-6,8-dioxabicyclo[3.2.1]octane; 2,3,4-Tris-benzyloxy-6,8-dioxa-bicyclo[3.2.1]octane; 2,3,4-tris(benzyloxy)-6,8-dioxabicyclo[3.2.1]octane (non-preferred name)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689187	.	.	.	.	432.5	C27H28O5	46.2	538	3.9	32	0	5	9	"InChI=1S/C27H28O5/c1-4-10-20(11-5-1)16-28-24-23-19-31-27(32-23)26(30-18-22-14-8-3-9-15-22)25(24)29-17-21-12-6-2-7-13-21/h1-15,23-27H,16-19H2"	C1C2C(C(C(C(O1)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5	JSRSLTCFTYHIRT-UHFFFAOYSA-N
DG57455	4-(1-Methyl-4-(phenylsulfonyl)-2-cyclohexen-1-yl)-1-butanol	390940	NSC689193; CHEMBL1994807; NSC-689193; NCI60_032123; 4-(1-Methyl-4-(phenylsulfonyl)-2-cyclohexen-1-yl)-1-butanol; 4-[4-(benzenesulfonyl)-1-methyl-cyclohex-2-en-1-yl]butan-1-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689193	.	.	.	.	308.4	C17H24O3S	62.8	443	3.5	21	1	3	6	"InChI=1S/C17H24O3S/c1-17(11-5-6-14-18)12-9-16(10-13-17)21(19,20)15-7-3-2-4-8-15/h2-4,7-9,12,16,18H,5-6,10-11,13-14H2,1H3"	CC1(CCC(C=C1)S(=O)(=O)C2=CC=CC=C2)CCCCO	VMJQAHGRSHVIKV-UHFFFAOYSA-N
DG57456	[4-(1-Hydroxycyclohexyl)-5-oxo-tetrahydrofuran-2-yl]methyl benzoate	390941	NSC689194; CHEMBL1970565; NSC-689194; NCI60_032124; [4-(1-hydroxycyclohexyl)-5-oxo-tetrahydrofuran-2-yl]methyl benzoate; 5-(Benzoyloxy)-4-hydroxy-2-(1-hydroxycyclohexyl)pentanoic acid gamma-lactone; Benzoic acid 4-(1-hydroxy-cyclohexyl)-5-oxo-tetrahydro-furan-2-ylmethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689194	.	.	.	.	318.4	C18H22O5	72.8	435	2.8	23	1	5	5	"InChI=1S/C18H22O5/c19-16(13-7-3-1-4-8-13)22-12-14-11-15(17(20)23-14)18(21)9-5-2-6-10-18/h1,3-4,7-8,14-15,21H,2,5-6,9-12H2"	C1CCC(CC1)(C2CC(OC2=O)COC(=O)C3=CC=CC=C3)O	UUEZLOIPRZRQIB-UHFFFAOYSA-N
DG57457	[2-Benzoyloxy-2-[4-(1-hydroxycyclohexyl)-5-oxo-tetrahydrofuran-2-yl]ethyl] benzoate	390945	"NSC689198; CHEMBL1980183; NSC-689198; NCI60_032128; [2-benzoyloxy-2-[4-(1-hydroxycyclohexyl)-5-oxo-tetrahydrofuran-2-yl]ethyl] benzoate; 5,6-Bis(benzoyloxy)-4-hydroxy-2-(1-hydroxycyclohexyl)hexanoic acid gamma-lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689198	.	.	.	.	452.5	C26H28O7	99.1	687	4.4	33	1	7	9	"InChI=1S/C26H28O7/c27-23(18-10-4-1-5-11-18)31-17-22(33-24(28)19-12-6-2-7-13-19)21-16-20(25(29)32-21)26(30)14-8-3-9-15-26/h1-2,4-7,10-13,20-22,30H,3,8-9,14-17H2"	C1CCC(CC1)(C2CC(OC2=O)C(COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O	NLEUDQVBLMCEFF-UHFFFAOYSA-N
DG57458	"4a,4b-Dimethyltetrahydrocyclopropa[cd]pentalene-2,3(1H,2aH)-dione"	390952	"NSC689205; CHEMBL1982986; 4a,4b-Dimethyltetrahydrocyclopropa[cd]pentalene-2,3(1H,2aH)-dione; NSC-689205; NCI60_032135"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689205	.	.	.	.	164.2	C10H12O2	34.1	292	0.3	12	0	2	0	"InChI=1S/C10H12O2/c1-9-3-5(11)7-8(6(12)4-9)10(7,9)2/h7-8H,3-4H2,1-2H3"	CC12CC(=O)C3C1(C3C(=O)C2)C	ULHYKDOPGVYDCC-UHFFFAOYSA-N
DG57459	Calcein AM	390986	"Calcein AM; 148504-34-1; acetoxymethyl 2-[[2-(acetoxymethoxy)-2-oxo-ethyl]-[[3',6'-diacetoxy-7'-[[bis[2-(acetoxymethoxy)-2-oxo-ethyl]amino]methyl]-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-2'-yl]methyl]amino]acetate; acetyloxymethyl 2-[[2-(acetyloxymethoxy)-2-oxoethyl]-[[3',6'-diacetyloxy-7'-[[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]methyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl]amino]acetate; Glycine, N,N'-[[3',6'-bis(acetyloxy)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2',7'-diyl]bis(methylene)]bis[N-[2-[(acetyloxy)methoxy]-2-oxoethyl]-, 1,1'-bis[(acetyloxy)methyl] ester; calcein-acetoxymethyl ester; AC1Q1LD2; AC1L916S; 4',5'-Bis(N,N-bis(carboxymethyl)aminomethyl)fluorescein acetoxymethyl ester; CHEBI:3303; CHEMBL1977168; SCHEMBL15319006; C46H46N2O23; EX-A5062; HY-D0041; MFCD05861516; NSC689290; AKOS027382981; ZINC195425739; CS-7726; NSC-689290; AS-78082; Glycine, N,N'-((3',6'-bis(acetyloxy)-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-2',7'-diyl)bis(methylene))bis(N-(2-((acetyloxy)methoxy)-2-oxoethyl)-, bis((acetyloxy)methyl) ester; NCI60_032172; FT-0664197; A808837; Q27068143; [({[3',6'-bis(acetyloxy)-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthene]-2',7'-diyl]bis(methylene)nitrilo}bis[(1-oxoethane-2,1-diyl)oxy]methylene)] tetraacetate; 2-[[2-(acetyloxymethoxy)-2-oxoethyl]-[[3',6'-diacetyloxy-7'-[[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]methyl]-3-oxo-2'-spiro[isobenzofuran-1,9'-xanthene]yl]methyl]amino]acetic acid acetyloxymethyl ester; acetyloxymethyl 2-[[2-(acetyloxymethoxy)-2-oxidanylidene-ethyl]-[[3',6'-diacetyloxy-7'-[[bis[2-(acetyloxymethoxy)-2-oxidanylidene-ethyl]amino]methyl]-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl]amino]ethanoate; Glycine,N'-[[3',6'-bis(acetyloxy)-3-oxospiro[isobenzo furan-1(3H),9'-[9H]xanthene]-2'7'-diyl]bis(methylene)] bis[N-[2-[(acetyloxy)methoxy]-2-oxoethyl]-, bis[(acetyloxy)methyl] ester; Tetrakis(acetoxymethyl) 2,2',2'',2'''-(((3',6'-diacetoxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-2',7'-diyl)bis(methylene))bis(azanetriyl))tetraacetate; tetrakis[(acetyloxy)methyl] 2,2',2'',2'''-{[3',6'-bis(acetyloxy)-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthene]-2',7'-diyl]bis(methanediylnitrilo)}tetraacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689290	.	.	.	.	994.9	C46H46N2O23	305	1810	2.9	71	0	25	32	"InChI=1S/C46H46N2O23/c1-25(49)60-21-64-41(55)17-47(18-42(56)65-22-61-26(2)50)15-31-11-35-39(13-37(31)68-29(5)53)70-40-14-38(69-30(6)54)32(12-36(40)46(35)34-10-8-7-9-33(34)45(59)71-46)16-48(19-43(57)66-23-62-27(3)51)20-44(58)67-24-63-28(4)52/h7-14H,15-24H2,1-6H3"	CC(=O)OCOC(=O)CN(CC1=CC2=C(C=C1OC(=O)C)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=C(C(=C3)OC(=O)C)CN(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C	BQRGNLJZBFXNCZ-UHFFFAOYSA-N
DG57460	NSC689291	390987	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-9-(3,4-dihydroxybutoxycarbonyloxy)-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC689291; CHEMBL1966671; NSC-689291; NCI60_032173"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689291	.	.	.	.	986	C52H59NO18	277	2040	2.5	71	5	18	21	"InChI=1S/C52H59NO18/c1-28-35(68-47(62)40(58)39(31-16-10-7-11-17-31)53-45(60)32-18-12-8-13-19-32)25-52(64)44(70-46(61)33-20-14-9-15-21-33)42-50(6,43(59)41(67-29(2)55)38(28)49(52,4)5)36(69-48(63)65-23-22-34(57)26-54)24-37-51(42,27-66-37)71-30(3)56/h7-21,34-37,39-42,44,54,57-58,64H,22-27H2,1-6H3,(H,53,60)/t34 ,35-,36-,37+,39-,40+,41+,42-,44-,50+,51-,52+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)OCCC(CO)O)C)OC(=O)C	UOQOUSCNIBTKFT-POVJGWSTSA-N
DG57461	NSC689292	390988	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-(3,4-dihydroxybutoxycarbonyloxy)-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC689292; CHEMBL1995253; NSC-689292; NCI60_032174"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689292	.	.	.	.	986	C52H59NO18	277	2040	2.5	71	5	18	21	"InChI=1S/C52H59NO18/c1-28-35(68-47(62)41(69-48(63)65-23-22-34(57)26-54)39(31-16-10-7-11-17-31)53-45(60)32-18-12-8-13-19-32)25-52(64)44(70-46(61)33-20-14-9-15-21-33)42-50(6,36(58)24-37-51(42,27-66-37)71-30(3)56)43(59)40(67-29(2)55)38(28)49(52,4)5/h7-21,34-37,39-42,44,54,57-58,64H,22-27H2,1-6H3,(H,53,60)/t34 ,35-,36-,37+,39-,40+,41+,42-,44-,50+,51-,52+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)OCCC(CO)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	OVBWLQLJASFROW-POVJGWSTSA-N
DG57462	Kuanoniamine A	390989	"Kuanoniamine A; 133401-10-2; 9H-Pyrido(4,3,2-mn)thiazolo(4,5-b)acridin-9-one; 9H-pyrido[4,3,2-mn]thiazolo[4,5-b]acridin-9-one; NSC689297; 9H-pyrido[4,3,2-mn][1,3]thiazolo[4,5-b]acridin-9-one; Neuro_000441; CHEMBL1981645; DTXSID00928098; NSC-689297; NCI60_032175; 1H-Pyrido[4,2-mn]thiazolo[4,5-b]acridin-9-one; 1H-Pyrido[4,3,2-mn]thiazolo[4,5-b]acridin-9-one; 4-thia-6,9,19-triazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1(19),3(7),5,8,10,12(20),13,15,17-nonaen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689297	.	.	.	.	289.3	C16H7N3OS	84	459	3.3	21	0	5	0	InChI=1S/C16H7N3OS/c20-15-13-11-9(8-3-1-2-4-10(8)19-13)5-6-17-12(11)14-16(15)21-7-18-14/h1-7H	C1=CC=C2C(=C1)C3=C4C(=NC=C3)C5=C(C(=O)C4=N2)SC=N5	SABDUJMZZVLRAS-UHFFFAOYSA-N
DG57463	"5,6-Dihydroxynaphthalene-2-carboxylic acid"	390997	"5,6-dihydroxynaphthalene-2-carboxylic acid; 182205-62-5; NSC689403; CHEMBL18550; 5,6-Dihydroxy-2-naphthoic acid; 2-Naphthalenecarboxylic acid, 5,6-dihydroxy- (9CI); 2-Naphthalenecarboxylic acid, 5,6-dihydroxy-; SCHEMBL3391145; DTXSID70327817; BDBM50057334; NSC-689403; NCI60_032183; 5,6-Dihydroxy-2-naphthalenecarboxylic acid; 5,6-Dihydroxy-naphthalene-2-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689403	.	.	.	.	204.18	C11H8O4	77.8	253	2	15	3	4	1	"InChI=1S/C11H8O4/c12-9-4-2-6-5-7(11(14)15)1-3-8(6)10(9)13/h1-5,12-13H,(H,14,15)"	C1=CC2=C(C=CC(=C2O)O)C=C1C(=O)O	ICGAFQWZWKIUMN-UHFFFAOYSA-N
DG57464	"1,3-Bis(5,6-dihydroxy-2-naphthalenecarboxamido)propane"	390998	"NSC689404; CHEMBL18635; 1,3-Bis(5,6-dihydroxy-2-naphthalenecarboxamido)propane; BDBM50057341; NSC-689404; NCI60_032184; N,N'-Trimethylenebis(5,6-dihydroxy-2-naphthamide); 2N-[3-(5,6-Dihydroxy-2-naphthyl carboxamido)propyl]-5,6-dihydroxy-2-naphthamide; N-[3-[(5,6-dihydroxynaphthalene-2-carbonyl)amino]propyl]-5,6-dihydroxy-naphthalene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689404	.	.	.	.	446.5	C25H22N2O6	139	634	3.6	33	6	6	6	"InChI=1S/C25H22N2O6/c28-20-8-4-14-12-16(2-6-18(14)22(20)30)24(32)26-10-1-11-27-25(33)17-3-7-19-15(13-17)5-9-21(29)23(19)31/h2-9,12-13,28-31H,1,10-11H2,(H,26,32)(H,27,33)"	C1=CC2=C(C=CC(=C2O)O)C=C1C(=O)NCCCNC(=O)C3=CC4=C(C=C3)C(=C(C=C4)O)O	BQROATPHCLGYEJ-UHFFFAOYSA-N
DG57465	3-(3-hydroxyphenyl)-N-[3-[3-(3-hydroxyphenyl)propanoylamino]propyl]propanamide	391000	"NSC689407; CHEMBL418178; BDBM50057335; NSC-689407; 3-(3-hydroxyphenyl)-N-[3-[3-(3-hydroxyphenyl)propanoylamino]propyl]propanamide; NCI60_032186; 1,3-Bis[3-(3-hydroxyphenyl)propanamido]propane; 3-(3-Hydroxy-phenyl)-N-{3-[3-(3-hydroxy-phenyl)-propionylamino]-propyl}-propionamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689407	.	.	.	.	370.4	C21H26N2O4	98.7	418	2.3	27	4	4	10	"InChI=1S/C21H26N2O4/c24-18-6-1-4-16(14-18)8-10-20(26)22-12-3-13-23-21(27)11-9-17-5-2-7-19(25)15-17/h1-2,4-7,14-15,24-25H,3,8-13H2,(H,22,26)(H,23,27)"	C1=CC(=CC(=C1)O)CCC(=O)NCCCNC(=O)CCC2=CC(=CC=C2)O	DGDCESNTXUUFGQ-UHFFFAOYSA-N
DG57466	"4,4'-Dihydroxy-3,3'-dinitrobenzophenone"	391007	"NSC689414; 4,4'-DIHYDROXY-3,3'-DINITROBENZOPHENONE; Oprea1_237123; Oprea1_686600; SCHEMBL7103159; CHEMBL1968507; ZINC1651546; AKOS000746206; MCULE-8202221926; NSC-689414; bis(4-hydroxy-3-nitro-phenyl)methanone; NCI60_032193; SR-01000363348; SR-01000363348-1; Bis(4-hydroxy-3-(hydroxy(oxido)amino)phenyl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689414	.	.	.	.	304.21	C13H8N2O7	149	418	3.3	22	2	7	2	"InChI=1S/C13H8N2O7/c16-11-3-1-7(5-9(11)14(19)20)13(18)8-2-4-12(17)10(6-8)15(21)22/h1-6,16-17H"	C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])[N+](=O)[O-])O	AABHPMAMDHAYRG-UHFFFAOYSA-N
DG57467	"4-((2,5-Dihydroxybenzyl)amino)-N,N-diisopropylbenzamide"	391016	"NSC689431; CHEMBL1990060; ZINC1651549; NSC-689431; NCI60_032197; N, 4-[[(2,5-dihydroxyphenyl)-methyl]amino; 4-((2,5-Dihydroxybenzyl)amino)-N,N-diisopropylbenzamide; 4-[(2,5-dihydroxyphenyl)methylamino]-N,N-diisopropyl-benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689431	.	.	.	.	342.4	C20H26N2O3	72.8	411	3.7	25	3	4	6	"InChI=1S/C20H26N2O3/c1-13(2)22(14(3)4)20(25)15-5-7-17(8-6-15)21-12-16-11-18(23)9-10-19(16)24/h5-11,13-14,21,23-24H,12H2,1-4H3"	CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O	PDFWKEASESLRHH-UHFFFAOYSA-N
DG57468	tert-Butyl 2-(2-hydroxy-3-phenoxypropyl)hydrazinecarboxylate	391017	NSC689432; CHEMBL1992475; tert-Butyl 2-(2-hydroxy-3-phenoxypropyl)hydrazinecarboxylate; NSC-689432; NCI60_032198; tert-butyl N-[(2-hydroxy-3-phenoxy-propyl)amino]carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689432	.	.	.	.	282.34	C14H22N2O4	79.8	285	1.7	20	3	5	8	"InChI=1S/C14H22N2O4/c1-14(2,3)20-13(18)16-15-9-11(17)10-19-12-7-5-4-6-8-12/h4-8,11,15,17H,9-10H2,1-3H3,(H,16,18)"	CC(C)(C)OC(=O)NNCC(COC1=CC=CC=C1)O	BZDJMQXNPXDJKK-UHFFFAOYSA-N
DG57469	Conyzenol-19-succinate	391020	"NSC689440; Conyzenol-19-succinate; CHEMBL1966230; NSC-689440; NCI60_032201; Succinic acid hydrogen [(5beta,9alpha,10alpha)-15-oxo-15,16-epoxylabda-8(20),13-dien]-18-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689440	.	.	.	.	418.5	C24H34O6	89.9	753	3.8	30	1	6	9	"InChI=1S/C24H34O6/c1-16-5-8-19-23(2,15-30-21(27)10-9-20(25)26)11-4-12-24(19,3)18(16)7-6-17-13-22(28)29-14-17/h13,18-19H,1,4-12,14-15H2,2-3H3,(H,25,26)/t18-,19-,23+,24+/m1/s1"	C[C@]1(CCC[C@@]2([C@@H]1CCC(=C)[C@H]2CCC3=CC(=O)OC3)C)COC(=O)CCC(=O)O	POSXURGFKVMSQT-VSQYNUGQSA-N
DG57470	"(3aS,5R,9R,9bS)-5,9-dihydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one"	391021	CHEMBL1971391; NSC689441; NSC-689441; NCI60_032202	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689441	.	.	.	.	264.32	C15H20O4	66.8	469	0.7	19	2	4	0	"InChI=1S/C15H20O4/c1-7-9-4-5-15(3,18)12(9)13-10(6-11(7)16)8(2)14(17)19-13/h9-13,16,18H,1-2,4-6H2,3H3/t9 ,10-,11+,12 ,13-,15+/m0/s1"	C[C@]1(CCC2C1[C@@H]3[C@@H](C[C@H](C2=C)O)C(=C)C(=O)O3)O	ZYFHDRQNUXIRID-BKDOGVOUSA-N
DG57471	hyperbrasilol C	391023	"hyperbrasilol C; NSC689443; 4937-61-5; CHEMBL1998678; DTXSID30327818; NSC-689443; NCI60_032204; 3,5-dihydroxy-2-methyl-4-(3-methylbut-2-enyl)-4-(2-methylpropanoyl)-6-[[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)-5-(2-methylpropanoyl)phenyl]methyl]cyclohexa-2,5-dien-1-one; 3,5-Dihydroxy-4-isobutyryl-2-methyl-4-(3-methyl-2-butenyl)-6-(2,4,6-trihydroxy-3-isobutyryl-5-(3-methyl-2-butenyl)benzyl)-2,5-cyclohexadien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689443	.	.	.	.	554.7	C32H42O8	152	1130	7.1	40	5	8	10	"InChI=1S/C32H42O8/c1-15(2)10-11-20-26(35)21(28(37)23(27(20)36)24(33)17(5)6)14-22-25(34)19(9)30(39)32(31(22)40,13-12-16(3)4)29(38)18(7)8/h10,12,17-18,34-37,39H,11,13-14H2,1-9H3"	CC1=C(C(C(=O)C(=C1O)CC2=C(C(=C(C(=C2O)CC=C(C)C)O)C(=O)C(C)C)O)(CC=C(C)C)C(=O)C(C)C)O	PPIGATIIRZNIGE-UHFFFAOYSA-N
DG57472	6-((6-((6-Amino-2-pyridinyl)ethynyl)-2-pyridinyl)ethynyl)-2-pyridinamine	391025	NSC689448; CHEMBL1981312; ZINC31872573; NSC-689448; NCI60_032206; 6-((6-((6-Amino-2-pyridinyl)ethynyl)-2-pyridinyl)ethynyl)-2-pyridinamine; 6-[2-[6-[2-(6-amino-2-pyridyl)ethynyl]-2-pyridyl]ethynyl]pyridin-2-amine; 6-((6-((6-Amino-2-pyridinyl)ethynyl)-2-pyridinyl)ethynyl)-2-pyridinylamine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689448	.	.	.	.	311.3	C19H13N5	90.7	499	2.2	24	2	5	4	"InChI=1S/C19H13N5/c20-18-8-2-6-16(23-18)12-10-14-4-1-5-15(22-14)11-13-17-7-3-9-19(21)24-17/h1-9H,(H2,20,23)(H2,21,24)"	C1=CC(=NC(=C1)C#CC2=NC(=CC=C2)N)C#CC3=NC(=CC=C3)N	XHFQAENVWRIDMF-UHFFFAOYSA-N
DG57473	"10,10',21,21'-Tetratert-butyl-4,4'-spirobi[2,6-dioxa-14,17-diazatricyclo[17.4.0.07,12]tricosa-1(19),7(12),8,10,20,22-hexaene]"	391026	"NSC689449; Neuro_000442; CHEMBL1967527; NSC-689449; NCI60_032207; 7,7'(8H,8'H)-Spirobi[6H-dibenzo[b,j][1,12,5,8]dioxadiazacyclopentadecine], 2,2',12,12'-tetrakis(1,1-dimethylethyl)-14,14',15,15',16,16',17,17',18,18',19,19'-dodecahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689449	.	.	.	.	833.2	C53H76N4O4	85	1100	10.7	61	4	8	4	"InChI=1S/C53H76N4O4/c1-49(2,3)41-13-17-45-37(25-41)29-54-21-22-55-30-38-26-42(50(4,5)6)14-18-46(38)59-34-53(33-58-45)35-60-47-19-15-43(51(7,8)9)27-39(47)31-56-23-24-57-32-40-28-44(52(10,11)12)16-20-48(40)61-36-53/h13-20,25-28,54-57H,21-24,29-36H2,1-12H3"	CC(C)(C)C1=CC2=C(C=C1)OCC3(COC4=C(CNCCNC2)C=C(C=C4)C(C)(C)C)COC5=C(CNCCNCC6=C(C=CC(=C6)C(C)(C)C)OC3)C=C(C=C5)C(C)(C)C	WEKYOFLAYYZZJF-UHFFFAOYSA-N
DG57474	"1-Methyl-1,4,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g][1,3]oxazino[4,5-b]quinoline"	391049	"NSC689581; CHEMBL1987192; NSC-689581; 1-Methyl-1,4,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g][1,3]oxazino[4,5-b]quinoline; NCI60_032231"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689581	.	.	.	.	258.269	C14H14N2O3	43.8	341	1.9	19	0	5	0	"InChI=1S/C14H14N2O3/c1-16-8-17-7-10-4-9-5-12-13(19-3-2-18-12)6-11(9)15-14(10)16/h4-6H,2-3,7-8H2,1H3"	CN1COCC2=C1N=C3C=C4C(=CC3=C2)OCCO4	AIVTZLFWKVRBHH-UHFFFAOYSA-N
DG57475	"Thiochromeno[2,3,4-ij]-2,7-naphthyridine"	391091	"NSC689626; CHEMBL1991839; NSC-689626; NCI60_032267; Thiochromeno[2,3,4-ij]-2,7-naphthyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689626	.	.	.	.	236.29	C14H8N2S	51.1	296	3.2	17	0	3	0	InChI=1S/C14H8N2S/c1-2-4-11-10(3-1)13-12-9(5-7-15-13)6-8-16-14(12)17-11/h1-8H	C1=CC=C2C(=C1)C3=NC=CC4=C3C(=NC=C4)S2	OLOXICWTKUHWIW-UHFFFAOYSA-N
DG57476	"Thiochromeno[2,3,4-ij]-2,7-naphthyridine 7,7-dioxide"	391092	"NSC689627; CHEMBL2000049; NSC-689627; NCI60_032268; Thiochromeno[2,3,4-ij]-2,7-naphthyridine 7,7-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689627	.	.	.	.	268.29	C14H8N2O2S	68.3	459	1.9	19	0	4	0	InChI=1S/C14H8N2O2S/c17-19(18)11-4-2-1-3-10(11)13-12-9(5-7-15-13)6-8-16-14(12)19/h1-8H	C1=CC=C2C(=C1)C3=NC=CC4=C3C(=NC=C4)S2(=O)=O	UJCKXVXWGBPLNL-UHFFFAOYSA-N
DG57477	[3-(Benzo[b]phosphindol-5-ylmethyl)oxetan-3-yl]methyl-bis(m-tolylmethyl)phosphane	391096	NSC689714; CHEMBL1993304; ZINC1651646; NSC-689714; NCI60_032273; ((3-(5H-Benzo[b]phosphindol-5-ylmethyl)-3-oxetanyl)methyl)(bis(3-methylbenzyl))phosphine; [3-(benzo[b]phosphindol-5-ylmethyl)oxetan-3-yl]methyl-bis(m-tolylmethyl)phosphane	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689714	.	.	.	.	508.6	C33H34OP2	9.2	660	5.9	36	0	1	8	"InChI=1S/C33H34OP2/c1-25-9-7-11-27(17-25)19-35(20-28-12-8-10-26(2)18-28)23-33(21-34-22-33)24-36-31-15-5-3-13-29(31)30-14-4-6-16-32(30)36/h3-18H,19-24H2,1-2H3"	CC1=CC(=CC=C1)CP(CC2=CC=CC(=C2)C)CC3(COC3)CP4C5=CC=CC=C5C6=CC=CC=C64	NCFUYQICOXAVOK-UHFFFAOYSA-N
DG57478	2-[(3-Trifluoromethyl-2-pyridinyl)thio]benzothiazole	391103	"NSC689721; CHEMBL1986462; NSC-689721; NCI60_032280; 2-[(3-Trifluoromethyl-2-pyridinyl)thio]benzothiazole; 1,3-Benzothiazol-2-yl 3-(trifluoromethyl)-2-pyridinyl sulfide; 2-((3-(Trifluoromethyl)-2-pyridinyl)thio)-1,3-benzothiazole; 2-[[3-(trifluoromethyl)-2-pyridyl]sulfanyl]-1,3-benzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689721	.	.	.	.	312.3	C13H7F3N2S2	79.3	340	4.9	20	0	7	2	"InChI=1S/C13H7F3N2S2/c14-13(15,16)8-4-3-7-17-11(8)20-12-18-9-5-1-2-6-10(9)19-12/h1-7H"	C1=CC=C2C(=C1)N=C(S2)SC3=C(C=CC=N3)C(F)(F)F	ZHZQQNCMAAAFDU-UHFFFAOYSA-N
DG57479	"2-Methyl-6H-[1,3]thiazolo[5,4-c]carbazole"	391110	"NSC689728; 2-Methyl-6H-[1,3]thiazolo[5,4-c]carbazole; CHEMBL1975979; NSC-689728; 2-methyl-6H-thiazolo[5,4-c]carbazole; NCI60_032287"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689728	.	.	.	.	238.31	C14H10N2S	56.9	309	4.2	17	1	2	0	"InChI=1S/C14H10N2S/c1-8-15-14-12(17-8)7-6-11-13(14)9-4-2-3-5-10(9)16-11/h2-7,16H,1H3"	CC1=NC2=C(S1)C=CC3=C2C4=CC=CC=C4N3	MCUSJWXIZSPNNH-UHFFFAOYSA-N
DG57480	"Tetramethyl 4,8-dioxothiopyrano[3,2-b]thiopyran-2,3,6,7-tetracarboxylate"	391111	"NSC689729; CHEMBL1968079; tetramethyl 4,8-dioxothiopyrano[3,2-b]thiopyran-2,3,6,7-tetracarboxylate; NSC-689729; Tetramethyl 4,8-dioxo-4,8-dihydrothiopyrano[3,2-b]thiopyran-2,3,6,7-tetracarboxylate; NCI60_032288; 4,8-Dihydro-4,8-dioxothiopyrano[3,2-b]thiopyran-2,3,6,7-tetracarboxylic acid tetramethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689729	.	.	.	.	428.4	C16H12O10S2	190	848	1.5	28	0	12	8	InChI=1S/C16H12O10S2/c1-23-13(19)5-7(17)11-12(27-9(5)15(21)25-3)8(18)6(14(20)24-2)10(28-11)16(22)26-4/h1-4H3	COC(=O)C1=C(SC2=C(C1=O)SC(=C(C2=O)C(=O)OC)C(=O)OC)C(=O)OC	AAPHSUKJUWKPJM-UHFFFAOYSA-N
DG57481	Methyl 3-(diethoxyphosphoryl)-6-hydroxy-2-(4-methylphenyl)isonicotinate	391117	"NSC689735; CHEMBL1967630; ZINC16958941; NSC-689735; NCI60_032294; Methyl 3-(diethoxyphosphoryl)-6-hydroxy-2-(4-methylphenyl)isonicotinate; methyl 3-diethoxyphosphoryl-6-hydroxy-2-(p-tolyl)pyridine-4-carboxylate; 1,6-Dihydro-6-oxo-2-(4-methylphenyl)-3-(diethoxyphosphinyl)-pyridine-4-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689735	.	.	.	.	379.3	C18H22NO6P	90.9	651	1.3	26	1	6	8	"InChI=1S/C18H22NO6P/c1-5-24-26(22,25-6-2)17-14(18(21)23-4)11-15(20)19-16(17)13-9-7-12(3)8-10-13/h7-11H,5-6H2,1-4H3,(H,19,20)"	CCOP(=O)(C1=C(NC(=O)C=C1C(=O)OC)C2=CC=C(C=C2)C)OCC	QQOBZQGUGCIQGG-UHFFFAOYSA-N
DG57482	"5-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-10,13-dioxa-2,4,6,8-tetrathiatricyclo[7.4.0.03,7]tridec-3(7)-ene"	391121	"NSC689739; CHEMBL1974044; NSC-689739; NCI60_032298; 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-4a,6,7,8a-tetrahydro-[1,3]dithiolo[[ ]:[ ]][1,4]dithiino[[ ]][1,4]dioxine; 2-(5,6-Dihydro-1,3-dithiolo[4,5-b][1,4]dithiin-2-ylidene)-4a,6,7,8a-tetrahydro-5,8-dioxa-1,3,4,9-tetrathia-2H-benzo[f]indene; 2-(5,6-Dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-4a,6,7,8a-tetrahydro[1,3]dithiolo[4',5':5,6][1,4]dithiino[2,3-b][1,4]dioxine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689739	.	.	.	.	442.7	C12H10O2S8	221	564	4.8	22	0	10	0	"InChI=1S/C12H10O2S8/c1-2-14-6-5(13-1)17-9-10(18-6)22-12(21-9)11-19-7-8(20-11)16-4-3-15-7/h5-6H,1-4H2"	C1COC2C(O1)SC3=C(S2)SC(=C4SC5=C(S4)SCCS5)S3	YUFRAYWYOAFEQR-UHFFFAOYSA-N
DG57483	"1-[5-[5-(4-acetyl-5-thioxo-1,3,4-oxadiazol-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl]-2-thioxo-1,3,4-oxadiazol-3-yl]ethanone"	391122	"NSC689740; CHEMBL1994691; ZINC1651668; NSC-689740; NCI60_032299; 1,3,4-Oxadiazole-2(3H)-thione, 5,5'-(3,5-dimethyl-1H-pyrrole-2,4-diyl)bis[3-acetyl-; 1-[5-[5-(4-acetyl-5-thioxo-1,3,4-oxadiazol-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl]-2-thioxo-1,3,4-oxadiazol-3-yl]ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689740	.	.	.	.	379.4	C14H13N5O4S2	164	737	1.9	25	1	8	2	"InChI=1S/C14H13N5O4S2/c1-5-9(11-16-18(7(3)20)13(24)22-11)6(2)15-10(5)12-17-19(8(4)21)14(25)23-12/h15H,1-4H3"	CC1=C(NC(=C1C2=NN(C(=S)O2)C(=O)C)C)C3=NN(C(=S)O3)C(=O)C	KFVLIEGXECCRBD-UHFFFAOYSA-N
DG57484	"1-Cyclohexyl-3,7-dihydropurine-2,6-dione"	391124	"NSC689742; 1-cyclohexyl-3,7-dihydropurine-2,6-dione; 1-Cyclohexyl-3,7-dihydro-1H-purine-2,6-dione; CHEMBL1989628; ZINC13218828; NSC-689742; NCI60_032301"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689742	.	.	.	.	234.25	C11H14N4O2	78.1	340	1.5	17	2	3	1	"InChI=1S/C11H14N4O2/c16-10-8-9(13-6-12-8)14-11(17)15(10)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13)(H,14,17)"	C1CCC(CC1)N2C(=O)C3=C(NC2=O)N=CN3	SOLCMMIACKJYNI-UHFFFAOYSA-N
DG57485	"Dimethyl 3,8-bis(4-chlorophenyl)-1,10-dioxo-4,7-dioxadispiro[4.0.4^{6}.2^{5}]dodeca-2,8-diene-11,12-dicarboxylate"	391126	"NSC689823; CHEMBL1995536; NSC-689823; Dimethyl 2,8-bis(4-chlorophenyl)-4,10-dioxo-1,7-dioxadispiro[4.0.4.2]dodeca-2,8-diene-11,12-dicarboxylate; dimethyl 3,8-bis(4-chlorophenyl)-1,10-dioxo-4,7-dioxadispiro[4.0.4^{6}.2^{5}]dodeca-2,8-diene-11,12-dicarboxylate; NCI60_032303"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689823	.	.	.	.	529.3	C26H18Cl2O8	105	955	3.6	36	0	8	6	"InChI=1S/C26H18Cl2O8/c1-33-23(31)21-22(24(32)34-2)26(20(30)12-18(36-26)14-5-9-16(28)10-6-14)25(21)19(29)11-17(35-25)13-3-7-15(27)8-4-13/h3-12,21-22H,1-2H3"	COC(=O)C1C(C2(C13C(=O)C=C(O3)C4=CC=C(C=C4)Cl)C(=O)C=C(O2)C5=CC=C(C=C5)Cl)C(=O)OC	FHEXWFBUXUHTOJ-UHFFFAOYSA-N
DG57486	"1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate"	391131	"NSC-689857; NSC689857; 241127-79-7; MLS002702392; 1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate; 1-adamantylmethyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate; NCIMech_000723; SCHEMBL415185; CHEMBL1710051; ZINC3941699; CCG-35837; NCI60_032308; SMR001565954; Benzoic acid,5-dihydroxyphenyl)methyl]amino]-, 1-adamantanemethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689857	.	.	.	.	407.5	C25H29NO4	78.8	573	5.4	30	3	5	7	"InChI=1S/C25H29NO4/c27-22-5-6-23(28)20(10-22)14-26-21-3-1-19(2-4-21)24(29)30-15-25-11-16-7-17(12-25)9-18(8-16)13-25/h1-6,10,16-18,26-28H,7-9,11-15H2"	C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC=C(C=C4)NCC5=C(C=CC(=C5)O)O	MXKHJVTZHIIIMQ-UHFFFAOYSA-N
DG57487	"1-[4-[(2,5-Dihydroxyphenyl)methylamino]phenyl]ethanone"	391132	"NSC689858; SCHEMBL412644; 1-[4-[(2,5-dihydroxyphenyl)methylamino]phenyl]ethanone; CHEMBL1983538; ZINC1651674; NSC-689858; NCI60_032309; Acetophenone,5-dihydroxyphenyl)methyl]amino]-; 1-(4-((2,5-Dihydroxybenzyl)amino)phenyl)ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689858	.	.	.	.	257.279	C15H15NO3	69.6	300	2.4	19	3	4	4	"InChI=1S/C15H15NO3/c1-10(17)11-2-4-13(5-3-11)16-9-12-8-14(18)6-7-15(12)19/h2-8,16,18-19H,9H2,1H3"	CC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O	XOGKCEFOHLEFQU-UHFFFAOYSA-N
DG57488	1-[4-[(5-Methoxy-3-nitro-acridin-9-yl)amino]phenyl]sulfonylguanidine	391138	NSC689864; CHEMBL2002216; NSC-689864; NCI60_032315; 1-[[4-[(4-Methoxy-6-nitroacridin-9-yl)amino]phenyl]sulfonyl]guanidine; 1-[4-[(5-methoxy-3-nitro-acridin-9-yl)amino]phenyl]sulfonylguanidine; 9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-3-(hydroxy(oxido)amino)-5-methoxyacridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689864	.	.	.	.	466.5	C21H18N6O5S	187	831	2.9	33	3	8	5	"InChI=1S/C21H18N6O5S/c1-32-18-4-2-3-16-19(15-10-7-13(27(28)29)11-17(15)25-20(16)18)24-12-5-8-14(9-6-12)33(30,31)26-21(22)23/h2-11H,1H3,(H,24,25)(H4,22,23,26)"	COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)[N+](=O)[O-]	JSHPTMNRVMYUMR-UHFFFAOYSA-N
DG57489	N-(2-Pyrimidinyl)-4-[(4-methoxy-6-nitroacridin-9-yl)amino]benzenesulfonamide	391139	NSC689865; CHEMBL1982049; NSC-689865; NCI60_032316; 4-[(5-methoxy-3-nitro-acridin-9-yl)amino]-N-pyrimidin-2-yl-benzenesulfonamide; N-(2-Pyrimidinyl)-4-[(4-methoxy-6-nitroacridin-9-yl)amino]benzenesulfonamide; 4-((3-(Hydroxy(oxido)amino)-5-methoxy-9-acridinyl)amino)-N-(2-pyrimidinyl)benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689865	.	.	.	.	502.5	C24H18N6O5S	160	852	4	36	2	10	6	"InChI=1S/C24H18N6O5S/c1-35-21-5-2-4-19-22(18-11-8-16(30(31)32)14-20(18)28-23(19)21)27-15-6-9-17(10-7-15)36(33,34)29-24-25-12-3-13-26-24/h2-14H,1H3,(H,27,28)(H,25,26,29)"	COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)[N+](=O)[O-]	RXMBUEYOXKGTMD-UHFFFAOYSA-N
DG57490	N-[4-[(5-methoxy-3-nitro-acridin-9-yl)amino]phenyl]sulfonylacetamide	391140	NSC689866; CHEMBL1966294; NSC-689866; NCI60_032317; N-[[4-[(4-Methoxy-6-nitroacridin-9-yl)amino]phenyl]sulfonyl]acetamide; N-[4-[(5-methoxy-3-nitro-acridin-9-yl)amino]phenyl]sulfonylacetamide; N-Acetyl-4-((3-(hydroxy(oxido)amino)-5-methoxy-9-acridinyl)amino)benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689866	.	.	.	.	466.5	C22H18N4O6S	152	820	3.6	33	2	8	5	"InChI=1S/C22H18N4O6S/c1-13(27)25-33(30,31)16-9-6-14(7-10-16)23-21-17-11-8-15(26(28)29)12-19(17)24-22-18(21)4-3-5-20(22)32-2/h3-12H,1-2H3,(H,23,24)(H,25,27)"	CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=C2C=CC=C4OC)[N+](=O)[O-]	KLGGLDLGANYVDE-UHFFFAOYSA-N
DG57491	1-[4-[(2-Methoxy-6-nitro-acridin-9-yl)amino]phenyl]sulfonylguanidine	391143	NSC689869; CHEMBL1974776; SCHEMBL12680547; NSC-689869; NCI60_032320; 1-[[4-[(2-Methoxy-6-nitroacridin-9-yl)amino]phenyl]sulfonyl]guanidine; 1-[4-[(2-methoxy-6-nitro-acridin-9-yl)amino]phenyl]sulfonylguanidine; 9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-6-(hydroxy(oxido)amino)-2-methoxyacridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689869	.	.	.	.	466.5	C21H18N6O5S	187	831	2.9	33	3	8	5	"InChI=1S/C21H18N6O5S/c1-32-14-5-9-18-17(11-14)20(16-8-4-13(27(28)29)10-19(16)25-18)24-12-2-6-15(7-3-12)33(30,31)26-21(22)23/h2-11H,1H3,(H,24,25)(H4,22,23,26)"	COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N	WVIUXTCGGOVNHQ-UHFFFAOYSA-N
DG57492	"6-Nitro-2,3-bis(2-pyridyl)quinoxaline"	391175	"NSC690016; 6-nitro-2,3-bis(2-pyridyl)quinoxaline; SCHEMBL8332284; CHEMBL1782937; NSC-690016; 2,3-Di(2-pyridyl)-6-nitroquinoxaline; 6-nitro-2,3-di(2-pyridyl)quinoxaline; NCI60_032349; 6-(Hydroxy(oxido)amino)-2,3-di(2-pyridinyl)quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690016	.	.	.	.	329.3	C18H11N5O2	97.4	471	2.3	25	0	6	2	InChI=1S/C18H11N5O2/c24-23(25)12-7-8-13-16(11-12)22-18(15-6-2-4-10-20-15)17(21-13)14-5-1-3-9-19-14/h1-11H	C1=CC=NC(=C1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2C4=CC=CC=N4	KIBYVRORTKFSMR-UHFFFAOYSA-N
DG57493	"N'-(2-naphthylmethyl)-N-[3-(2-naphthylmethylamino)propyl]butane-1,4-diamine"	391186	"CHEMBL305575; NSC690021; Neuro_000447; BDBM50285025; NCI60_032351; N'-(2-naphthylmethyl)-N-[3-(2-naphthylmethylamino)propyl]butane-1,4-diamine; N-[3-[(2-Naphthylmethyl)amino]propyl]-N'-(2-naphthylmethyl)-1,4-butanediamine; N-Naphthalen-2-ylmethyl-N''-{3-[(naphthalen-2-ylmethyl)-amino]-propyl}-butane-1,4-diamine; N~1~-(2-Naphthylmethyl)-N~4~-(3-((2-naphthylmethyl)amino)propyl)-1,4-butanediamine trifluoroacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690021	.	.	.	.	425.6	C29H35N3	36.1	495	5.5	32	3	3	13	"InChI=1S/C29H35N3/c1-3-10-28-20-24(12-14-26(28)8-1)22-31-17-6-5-16-30-18-7-19-32-23-25-13-15-27-9-2-4-11-29(27)21-25/h1-4,8-15,20-21,30-32H,5-7,16-19,22-23H2"	C1=CC=C2C=C(C=CC2=C1)CNCCCCNCCCNCC3=CC4=CC=CC=C4C=C3	WBEZSFOTIHPSFT-UHFFFAOYSA-N
DG57494	benzyl N-[3-(benzylamino)propyl]-N-[4-[3-(benzylamino)propyl-phenylmethoxycarbonylamino]butyl]carbamate	391189	"MLS002702397; 203578-50-1; UNII-B46YJS9R0U; NSC 690023; B46YJS9R0U; NSC690023; SMR001565959; Carbamic acid, 1,4-butanediylbis[[3-[(phenylmethyl)amino]propyl]-, phenylmethyl phenylmethyl ester; Carbamic acid, 1,4-butanediylbis((3-((phenylmethyl)amino)propyl)-, phenylmethyl phenylmethyl ester; Neuro_000448; cid_391189; CHEMBL1698492; BDBM80084; DTXSID00174270; NSC-690023; benzyl N-[3-(benzylamino)propyl]-N-[4-[3-(benzylamino)propyl-phenylmethoxycarbonylamino]butyl]carbamate; NCI60_032353; N,N'-dibenzyloxycarbonyl-1,4-butanediamine; Bis(phenylmethyl) 1,16-diphenyl-2,6,11,15-tetraazahexadecanoate; Carbamic acid,4-butanediylbis[N-[3-(phenylmethyl)~amino]propyl]]- phenylmethyl diester; (phenylmethyl) N-[4-[phenylmethoxycarbonyl-[3-[(phenylmethyl)amino]propyl]amino]butyl]-N-[3-[(phenylmethyl)amino]propyl]carbamate; benzyl N-[3-(benzylamino)propyl]-N-[4-[3-(benzylamino)propyl-benzyloxycarbonyl-amino]butyl]carbamate; N-[3-(benzylamino)propyl]-N-[4-[3-(benzylamino)propyl-carbobenzoxy-amino]butyl]carbamic acid benzyl ester; N-[4-[phenylmethoxycarbonyl-[3-[(phenylmethyl)amino]propyl]amino]butyl]-N-[3-[(phenylmethyl)amino]propyl]carbamic acid (phenylmethyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690023	.	.	.	.	650.8	C40H50N4O4	83.1	767	6.6	48	2	6	23	"InChI=1S/C40H50N4O4/c45-39(47-33-37-21-9-3-10-22-37)43(29-15-25-41-31-35-17-5-1-6-18-35)27-13-14-28-44(40(46)48-34-38-23-11-4-12-24-38)30-16-26-42-32-36-19-7-2-8-20-36/h1-12,17-24,41-42H,13-16,25-34H2"	C1=CC=C(C=C1)CNCCCN(CCCCN(CCCNCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4	XJHNORLJONUTKI-UHFFFAOYSA-N
DG57495	"N,N'-bis[3-(benzylamino)propyl]butane-1,4-diamine;2,2,2-trifluoroacetic acid"	391190	"MLS002702398; NSC690024; 203578-54-5; CHEMBL1722946; DTXSID40942516; NSC-690024; SMR001565960; 1, N,N'-bis[3-[(phenylmethyl)amino]propyl]-,tetra(trifluoroacetate); Trifluoroacetic acid--N~1~,N~4~-bis[3-(benzylamino)propyl]butane-1,4-diamine (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690024	.	.	.	.	496.6	C26H39F3N4O2	85.4	376	.	35	5	9	17	"InChI=1S/C24H38N4.C2HF3O2/c1-3-11-23(12-4-1)21-27-19-9-17-25-15-7-8-16-26-18-10-20-28-22-24-13-5-2-6-14-24;3-2(4,5)1(6)7/h1-6,11-14,25-28H,7-10,15-22H2;(H,6,7)"	C1=CC=C(C=C1)CNCCCNCCCCNCCCNCC2=CC=CC=C2.C(=O)(C(F)(F)F)O	AJXUHBKICMWXIU-UHFFFAOYSA-N
DG57496	Ethyl 6-fluoro-3-hydroxy-7-morpholino-quinoxaline-2-carboxylate	391194	"NSC690027; CHEMBL1985094; NSC-690027; NCI60_032357; Ethyl 6-fluoro-3-hydroxy-7-(4-morpholinyl)-2-quinoxalinecarboxylate; ethyl 6-fluoro-3-hydroxy-7-morpholino-quinoxaline-2-carboxylate; 3,4-Dihydro-6-fluoro-7-morpholino-3-oxoquinoxaline-2-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690027	.	.	.	.	321.3	C15H16FN3O4	80.2	507	1.2	23	1	7	4	"InChI=1S/C15H16FN3O4/c1-2-23-15(21)13-14(20)18-10-7-9(16)12(8-11(10)17-13)19-3-5-22-6-4-19/h7-8H,2-6H2,1H3,(H,18,20)"	CCOC(=O)C1=NC2=CC(=C(C=C2NC1=O)F)N3CCOCC3	OBGFWKUSMBLCMB-UHFFFAOYSA-N
DG57497	"2-Methoxy-4-methyl-2,3-dihydrofuro[3,2-h]quinolin-5-yl acetate"	391200	"NSC690033; CHEMBL2004204; 2-Methoxy-4-methyl-2,3-dihydrofuro[3,2-h]quinolin-5-yl acetate; (2-methoxy-4-methyl-2,3-dihydrofuro[3,2-h]quinolin-5-yl) acetate; NSC-690033; NCI60_032363"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690033	.	.	.	.	273.28	C15H15NO4	57.6	375	2.3	20	0	5	3	"InChI=1S/C15H15NO4/c1-8-11-7-12(18-3)20-15(11)13-10(5-4-6-16-13)14(8)19-9(2)17/h4-6,12H,7H2,1-3H3"	CC1=C2CC(OC2=C3C(=C1OC(=O)C)C=CC=N3)OC	XRBRGHBLGUBUJJ-UHFFFAOYSA-N
DG57498	"(1R,4S,9R,10R,13S)-5,5-bis(hydroxymethyl)-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-7-one"	391203	NSC690036; CHEMBL1989388; NSC-690036; NCI60_032366	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690036	.	.	.	.	318.4	C20H30O3	57.5	549	2.5	23	2	3	2	"InChI=1S/C20H30O3/c1-13-7-19-6-5-17-18(2,16(19)4-3-14(13)8-19)9-15(23)10-20(17,11-21)12-22/h14,16-17,21-22H,1,3-12H2,2H3/t14-,16-,17-,18+,19-/m0/s1"	C[C@]12CC(=O)CC([C@H]1CC[C@@]34[C@H]2CC[C@@H](C3)C(=C)C4)(CO)CO	IGOMNRZBTQVLBU-HZZCBIDNSA-N
DG57499	"11-Pyridin-4-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaen-20-one"	391206	NSC690039; CHEMBL2001014; SCHEMBL22144817; NSC-690039; NCI60_032369	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690039	.	.	.	.	359.4	C24H13N3O	55.7	603	4.5	28	0	4	1	InChI=1S/C24H13N3O/c28-24-17-7-2-1-6-16(17)22-21-18(13-20(27-22)14-9-11-25-12-10-14)15-5-3-4-8-19(15)26-23(21)24/h1-13H	C1=CC=C2C(=C1)C3=C4C(=CC(=N3)C5=CC=NC=C5)C6=CC=CC=C6N=C4C2=O	LZKCPNRQYLJNBC-UHFFFAOYSA-N
DG57500	"11-Thiophen-2-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaen-20-one"	391207	NSC690040; CHEMBL1993161; SCHEMBL22144815; NSC-690040; NCI60_032370	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690040	.	.	.	.	364.4	C23H12N2OS	71.1	597	5.3	27	0	4	1	InChI=1S/C23H12N2OS/c26-23-15-8-2-1-7-14(15)21-20-16(12-18(25-21)19-10-5-11-27-19)13-6-3-4-9-17(13)24-22(20)23/h1-12H	C1=CC=C2C(=C1)C3=C4C(=CC(=N3)C5=CC=CS5)C6=CC=CC=C6N=C4C2=O	NWHPIKBOVBKXAE-UHFFFAOYSA-N
DG57501	"4-(Phenylthio)-6H-pyrido[2,3,4-kl]acridine-6-one"	391208	"NSC690041; phenylsulfanyl[ ]one; CHEMBL2006220; NSC-690041; NCI60_032371; 4-(Phenylthio)-6H-pyrido[2,3,4-kl]acridine-6-one; 6H-Pyrido[2,3,4-kl]acridin-6-one, 4-(phenylthio)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690041	.	.	.	.	340.4	C21H12N2OS	68.2	556	4.5	25	0	4	2	InChI=1S/C21H12N2OS/c24-17-12-18(25-13-6-2-1-3-7-13)21-19-15(10-11-22-21)14-8-4-5-9-16(14)23-20(17)19/h1-12H	C1=CC=C(C=C1)SC2=CC(=O)C3=NC4=CC=CC=C4C5=C3C2=NC=C5	JWINQZNPSAPACY-UHFFFAOYSA-N
DG57502	"6H-Pyrido[2,3,4-kl]acridin-6-one, 4-methoxy-"	391209	"NSC690042; CHEMBL1978747; NSC-690042; NCI60_032372; 6H-Pyrido[2,4-kl]acridin-6-one, 4-methoxy-; 4-Methoxy-6H-pyrido[2,3,4-kl]acridine-6-one; 6H-Pyrido[2,3,4-kl]acridin-6-one, 4-methoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690042	.	.	.	.	262.26	C16H10N2O2	52.1	448	2.4	20	0	4	1	"InChI=1S/C16H10N2O2/c1-20-13-8-12(19)15-14-10(6-7-17-16(13)14)9-4-2-3-5-11(9)18-15/h2-8H,1H3"	COC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4	FQZGXGCWOGPRLT-UHFFFAOYSA-N
DG57503	"4-(Ethylthio)-6H-pyrido[2,3,4-kl]acridine-6-one"	391210	"ethylsulfanyl[ ]one; NSC690043; CHEMBL2000204; NSC-690043; NCI60_032373; 4-(Ethylthio)-6H-pyrido[2,3,4-kl]acridine-6-one; 6H-Pyrido[2,3,4-kl]acridin-6-one, 4-(ethylthio)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690043	.	.	.	.	292.4	C17H12N2OS	68.2	464	3.3	21	0	4	2	"InChI=1S/C17H12N2OS/c1-2-21-14-9-13(20)16-15-11(7-8-18-17(14)15)10-5-3-4-6-12(10)19-16/h3-9H,2H2,1H3"	CCSC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4	HGZPBFITQPYTPF-UHFFFAOYSA-N
DG57504	"Pyrido[4',3':4,5]pyrimido[1,2-a]indole-6,12-dione, 8-(2-octyl)-"	391213	"NSC690073; PA505; 1-methylheptyl[ ]dione; CHEMBL1994091; SCHEMBL12290157; PA 505; PA-505; NSC-690073; NCI60_032375; Pyrido[4',5]pyrimido[1,2-a]indole-6,12-dione, 8-(2-octyl)-; Pyrido[4',3':4,5]pyrimido[1,2-a]indole-6,12-dione, 8-(2-octyl)-; 13-(1-Methylheptyl)-7,8-[1,4]butanediylidene-6,10-dihydropyrido[4,3-d]pyrrolo[1,2-a]pyrimidine-12-ene-6,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690073	.	.	.	.	361.4	C22H23N3O2	62.6	617	4.8	27	0	4	6	"InChI=1S/C22H23N3O2/c1-3-4-5-6-7-14(2)15-8-9-19-16(12-15)20(26)21-24-18-10-11-23-13-17(18)22(27)25(19)21/h8-14H,3-7H2,1-2H3"	CCCCCCC(C)C1=CC2=C(C=C1)N3C(=NC4=C(C3=O)C=NC=C4)C2=O	MWVLTABHKRFJTM-UHFFFAOYSA-N
DG57505	2-(4-Chlorophenoxy)-2-methyl-N-phenyl-N-(1-piperidinylcarbonyl)propanamide	391214	NSC690111; CHEMBL1992639; ZINC1651719; NSC-690111; NCI60_032377; 2-(4-Chlorophenoxy)-2-methyl-N-phenyl-N-(1-piperidinylcarbonyl)propanamide; N-[2-(4-chlorophenoxy)-2-methyl-propanoyl]-N-phenyl-piperidine-1-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690111	.	.	.	.	400.9	C22H25ClN2O3	49.8	534	4.8	28	0	3	4	"InChI=1S/C22H25ClN2O3/c1-22(2,28-19-13-11-17(23)12-14-19)20(26)25(18-9-5-3-6-10-18)21(27)24-15-7-4-8-16-24/h3,5-6,9-14H,4,7-8,15-16H2,1-2H3"	CC(C)(C(=O)N(C1=CC=CC=C1)C(=O)N2CCCCC2)OC3=CC=C(C=C3)Cl	GOYALCDANNUROC-UHFFFAOYSA-N
DG57506	"2,4-Dichloro-N-phenyl-N-(1-piperidinylcarbonyl)benzamide"	391216	"NSC690113; CHEMBL1966022; ZINC1651721; NSC-690113; NCI60_032379; 2,4-Dichloro-N-phenyl-N-(1-piperidinylcarbonyl)benzamide; N-(2,4-dichlorobenzoyl)-N-phenyl-piperidine-1-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690113	.	.	.	.	377.3	C19H18Cl2N2O2	40.6	476	4.8	25	0	2	2	"InChI=1S/C19H18Cl2N2O2/c20-14-9-10-16(17(21)13-14)18(24)23(15-7-3-1-4-8-15)19(25)22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12H2"	C1CCN(CC1)C(=O)N(C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)Cl)Cl	WGZKZFKVGHCRHQ-UHFFFAOYSA-N
DG57507	N-phenyl-N-(thiophene-2-carbonyl)piperidine-1-carboxamide	391218	NSC690115; N-phenyl-N-(thiophene-2-carbonyl)piperidine-1-carboxamide; F2843-0140; 391861-34-0; CHEMBL2006843; ZINC1651723; AKOS024471845; MCULE-9146713314; NSC-690115; NCI60_032381; VU0502262-1; N-Phenyl-N-(1-piperidinylcarbonyl)-2-thiophenecarboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690115	.	.	.	.	314.4	C17H18N2O2S	68.9	404	3.6	22	0	3	2	"InChI=1S/C17H18N2O2S/c20-16(15-10-7-13-22-15)19(14-8-3-1-4-9-14)17(21)18-11-5-2-6-12-18/h1,3-4,7-10,13H,2,5-6,11-12H2"	C1CCN(CC1)C(=O)N(C2=CC=CC=C2)C(=O)C3=CC=CS3	UVOZQWBNNOMDKK-UHFFFAOYSA-N
DG57508	"N-[2-Methyl-2-(4-chlorophenoxy)propionyl]-N,4-diphenylpiperidine-1-carboxamide"	391219	"NSC690116; NCIMech_000783; CHEMBL1991474; ZINC5843324; CCG-35839; NSC-690116; NCI60_032382; 2-(4-Chlorophenoxy)-2-methyl-N-phenyl-N-((4-phenyl-1-piperidinyl)carbonyl)propanamide; N-[2-(4-chlorophenoxy)-2-methyl-propanoyl]-N,4-diphenyl-piperidine-1-carboxamide; N-[2-Methyl-2-(4-chlorophenoxy)propionyl]-N,4-diphenylpiperidine-1-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690116	.	.	.	.	477	C28H29ClN2O3	49.8	671	6.2	34	0	3	5	"InChI=1S/C28H29ClN2O3/c1-28(2,34-25-15-13-23(29)14-16-25)26(32)31(24-11-7-4-8-12-24)27(33)30-19-17-22(18-20-30)21-9-5-3-6-10-21/h3-16,22H,17-20H2,1-2H3"	CC(C)(C(=O)N(C1=CC=CC=C1)C(=O)N2CCC(CC2)C3=CC=CC=C3)OC4=CC=C(C=C4)Cl	KFGOANCXXKAFRH-UHFFFAOYSA-N
DG57509	"N-(4-chlorobenzoyl)-N,4-diphenylpiperidine-1-carboxamide"	391220	"NSC690117; CHEMBL1978257; N-(4-chlorobenzoyl)-N,4-diphenylpiperidine-1-carboxamide; ZINC1651724; NSC-690117; NCI60_032383; N-(4-chlorobenzoyl)-N,4-diphenyl-piperidine-1-carboxamide; 4-Chloro-N-phenyl-N-((4-phenyl-1-piperidinyl)carbonyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690117	.	.	.	.	418.9	C25H23ClN2O2	40.6	570	5.6	30	0	2	3	"InChI=1S/C25H23ClN2O2/c26-22-13-11-21(12-14-22)24(29)28(23-9-5-2-6-10-23)25(30)27-17-15-20(16-18-27)19-7-3-1-4-8-19/h1-14,20H,15-18H2"	C1CN(CCC1C2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl	DGLIGBGGTOVBEV-UHFFFAOYSA-N
DG57510	"N-(furan-2-carbonyl)-N,4-diphenyl-piperidine-1-carboxamide"	391221	"NSC690118; CHEMBL1997095; ZINC1651725; NSC-690118; NCI60_032384; N-(furan-2-carbonyl)-N,4-diphenyl-piperidine-1-carboxamide; N-Phenyl-N-((4-phenyl-1-piperidinyl)carbonyl)-2-furamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690118	.	.	.	.	374.4	C23H22N2O3	53.8	532	4.4	28	0	3	3	"InChI=1S/C23H22N2O3/c26-22(21-12-7-17-28-21)25(20-10-5-2-6-11-20)23(27)24-15-13-19(14-16-24)18-8-3-1-4-9-18/h1-12,17,19H,13-16H2"	C1CN(CCC1C2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C(=O)C4=CC=CO4	HWTFFBNCPZGJJP-UHFFFAOYSA-N
DG57511	"N,4-diphenyl-N-(thiophene-2-carbonyl)piperidine-1-carboxamide"	391222	"NSC690119; CHEMBL2003164; N,4-diphenyl-N-(thiophene-2-carbonyl)piperidine-1-carboxamide; ZINC1651726; NSC-690119; NCI60_032385; N-(2-Thienylcarbonyl)-N,4-diphenylpiperidine-1-carboxamide; N-Phenyl-N-((4-phenyl-1-piperidinyl)carbonyl)-2-thiophenecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690119	.	.	.	.	390.5	C23H22N2O2S	68.9	535	5	28	0	3	3	"InChI=1S/C23H22N2O2S/c26-22(21-12-7-17-28-21)25(20-10-5-2-6-11-20)23(27)24-15-13-19(14-16-24)18-8-3-1-4-9-18/h1-12,17,19H,13-16H2"	C1CN(CCC1C2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C(=O)C4=CC=CS4	KUNKHTJECGCIBN-UHFFFAOYSA-N
DG57512	"1,3-Di(2-furoyl)tetrahydro-2(1H)-pyrimidinethione"	391223	"NSC690120; CHEMBL516378; ZINC1651727; NSC-690120; NCI60_032386; 1,3-Di(2-furoyl)tetrahydro-2(1H)-pyrimidinethione; [3-(furan-2-carbonyl)-2-thioxo-hexahydropyrimidin-1-yl]-(2-furyl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690120	.	.	.	.	304.32	C14H12N2O4S	99	418	2.1	21	0	5	2	"InChI=1S/C14H12N2O4S/c17-12(10-4-1-8-19-10)15-6-3-7-16(14(15)21)13(18)11-5-2-9-20-11/h1-2,4-5,8-9H,3,6-7H2"	C1CN(C(=S)N(C1)C(=O)C2=CC=CO2)C(=O)C3=CC=CO3	HUZXVVNHWRZYPD-UHFFFAOYSA-N
DG57513	O-(2-Pyridinylmethyl) 2-furoyl(phenyl)thiocarbamate	391227	NSC690124; CHEMBL1968241; ZINC1651731; NSC-690124; NCI60_032390; O-(2-Pyridinylmethyl) 2-furoyl(phenyl)thiocarbamate; O-(2-pyridylmethyl) N-(furan-2-carbonyl)-N-phenyl-carbamothioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690124	.	.	.	.	338.4	C18H14N2O3S	87.7	440	3.6	24	0	5	5	"InChI=1S/C18H14N2O3S/c21-17(16-10-6-12-22-16)20(15-8-2-1-3-9-15)18(24)23-13-14-7-4-5-11-19-14/h1-12H,13H2"	C1=CC=C(C=C1)N(C(=O)C2=CC=CO2)C(=S)OCC3=CC=CC=N3	JOSTYFOIRAELIK-UHFFFAOYSA-N
DG57514	"Ethyl 2-[(4-bromobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate"	391235	"119934-21-3; ethyl 2-[(4-bromobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; NSC690132; ethyl 2-{[(4-bromophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; ethyl 2-(4-bromobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate; Ethyl 2-((4-bromobenzoyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; Oprea1_465464; Oprea1_810066; CHEMBL1570048; SCHEMBL21247199; HMS1917G02; ZINC974025; BBL000757; MFCD00495501; STK030609; AKOS000512612; MCULE-7694309546; NSC-690132; NCGC00141037-01; NCI60_032398; VS-00713; CS-0318728; EU-0034011; AB00666786-01; AG-690/34651007; SR-01000396789; SR-01000396789-1; F0016-0497; ETHYL 2-(4-BROMOBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE; ethyl 2-[(4-bromobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690132	.	.	.	.	408.3	C18H18BrNO3S	83.6	467	5.5	24	1	4	5	"InChI=1S/C18H18BrNO3S/c1-2-23-18(22)15-13-5-3-4-6-14(13)24-17(15)20-16(21)11-7-9-12(19)10-8-11/h7-10H,2-6H2,1H3,(H,20,21)"	CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)Br	LZHLAWVBGVXZNK-UHFFFAOYSA-N
DG57515	"Ethyl 2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate"	391236	"ethyl 2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; NSC690133; ethyl 2-{[(4-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; 79750-90-6; Ethyl 2-((4-methoxybenzoyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; Oprea1_458471; Oprea1_523570; CHEMBL1995486; ZINC624328; MFCD00265081; STK055478; AKOS000379401; MCULE-9880018065; NSC-690133; NCI60_032399; AK-968/40056565; SR-01000392931; SR-01000392931-1; 2-(4-Methoxy-benzoylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic aci; ethyl 2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carboxylate; ethyl 2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690133	.	.	.	.	359.4	C19H21NO4S	92.9	478	4.7	25	1	5	6	"InChI=1S/C19H21NO4S/c1-3-24-19(22)16-14-6-4-5-7-15(14)25-18(16)20-17(21)12-8-10-13(23-2)11-9-12/h8-11H,3-7H2,1-2H3,(H,20,21)"	CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)OC	WUDTVMSBDXPXSY-UHFFFAOYSA-N
DG57516	"Ethyl 2-[(2-thienylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate"	391239	"Ethyl 2-[(2-thienylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate; NSC690136; 189067-62-7; ethyl 2-(thiophene-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate; Oprea1_135128; Oprea1_162847; MLS000107328; CHEMBL1322025; ZINC64390; HMS2496I17; STK385341; AKOS000513966; MCULE-6384064215; NSC-690136; NCI60_032402; SMR000111699; AE-848/34090069; SR-01000410147; SR-01000410147-1; F0016-0722; ethyl 2-(thiophene-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate; ethyl 2-[(thien-2-ylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate; ethyl 2-[(thiophen-2-ylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690136	.	.	.	.	321.4	C15H15NO3S2	112	418	4.2	21	1	5	5	"InChI=1S/C15H15NO3S2/c1-2-19-15(18)12-9-5-3-6-10(9)21-14(12)16-13(17)11-7-4-8-20-11/h4,7-8H,2-3,5-6H2,1H3,(H,16,17)"	CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=CS3	AVLHWHZPFYAHTA-UHFFFAOYSA-N
DG57517	"2-Imino-1,2-dihydro-9H-thiochromeno[3,2-d][1,3]thiazol-9-one"	391251	"NSC690148; CHEMBL1984370; 2-Imino-1,2-dihydro-9H-thiochromeno[3,2-d][1,3]thiazol-9-one; NSC-690148; NCI60_032414; 2-amino-9h-thiochromeno[3,2-d]thiazol-9-one; 2-imino-1H-thiochromeno[3,2-d]thiazol-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690148	.	.	.	.	234.3	C10H6N2OS2	110	287	2.9	15	1	5	0	"InChI=1S/C10H6N2OS2/c11-10-12-7-8(13)5-3-1-2-4-6(5)14-9(7)15-10/h1-4H,(H2,11,12)"	C1=CC=C2C(=C1)C(=O)C3=C(S2)SC(=N3)N	KCMPIQGYTKTECZ-UHFFFAOYSA-N
DG57518	3-Isopropyl-6-(trifluoromethyl)-2-quinoxalinol	391279	NSC690238; CHEMBL1996102; NSC-690238; NCI60_032423; 3-Isopropyl-6-(trifluoromethyl)-2-quinoxalinol; 3-isopropyl-6-(trifluoromethyl)quinoxalin-2-ol; 3-Isopropyl-6-(trifluoromethyl)quinoxaline-2(1H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690238	.	.	.	.	256.22	C12H11F3N2O	41.5	376	2.6	18	1	5	1	"InChI=1S/C12H11F3N2O/c1-6(2)10-11(18)17-8-4-3-7(12(13,14)15)5-9(8)16-10/h3-6H,1-2H3,(H,17,18)"	CC(C)C1=NC2=C(C=CC(=C2)C(F)(F)F)NC1=O	METLFZHHNBLIOR-UHFFFAOYSA-N
DG57519	Antineoplastic-690268	391305	NSC690268; CHEMBL1986447; ANTINEOPLASTIC-690268; NSC-690268; NCI60_032439	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690268	.	.	.	.	422.5	C23H26N4O4	96.4	828	1.4	31	2	4	6	"InChI=1S/C23H26N4O4/c1-4-5-19(29)25-15-6-16(26(11-15)12-31-3)22(30)27-10-14-8-23(14)18(27)7-17(28)21-20(23)13(2)9-24-21/h6-7,9,11,14,24H,4-5,8,10,12H2,1-3H3,(H,25,29)/t14-,23+/m0/s1"	CCCC(=O)NC1=CN(C(=C1)C(=O)N2C[C@@H]3C[C@]34C2=CC(=O)C5=C4C(=CN5)C)COC	FHSOZQXNDQCQER-LFVRLGFBSA-N
DG57520	Antineoplastic-690269	391306	CHEMBL2001118; SCHEMBL13498780; ANTINEOPLASTIC-690269; NSC690269; NSC-690269; NCI60_032440	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690269	.	.	.	.	422.5	C23H26N4O4	96.4	828	1.4	31	2	4	6	"InChI=1S/C23H26N4O4/c1-4-5-19(29)25-15-6-16(26(11-15)12-31-3)22(30)27-10-14-8-23(14)18(27)7-17(28)21-20(23)13(2)9-24-21/h6-7,9,11,14,24H,4-5,8,10,12H2,1-3H3,(H,25,29)/t14-,23+/m1/s1"	CCCC(=O)NC1=CN(C(=C1)C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)C5=C4C(=CN5)C)COC	FHSOZQXNDQCQER-FATZIPQQSA-N
DG57521	Antineoplastic-690270	391307	CHEMBL1985335; ANTINEOPLASTIC-690270; NSC690270; NSC-690270; NCI60_032441	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690270	.	.	.	.	423.5	C22H25N5O4	109	831	1.1	31	2	5	6	"InChI=1S/C22H25N5O4/c1-4-5-17(29)24-16-10-26(11-31-3)20(25-16)21(30)27-9-13-7-22(13)15(27)6-14(28)19-18(22)12(2)8-23-19/h6,8,10,13,23H,4-5,7,9,11H2,1-3H3,(H,24,29)/t13-,22+/m0/s1"	CCCC(=O)NC1=CN(C(=N1)C(=O)N2C[C@@H]3C[C@]34C2=CC(=O)C5=C4C(=CN5)C)COC	VEXVGFUQFNGZII-WHEQGISXSA-N
DG57522	Antineoplastic-690271	391308	NSC690271; CHEMBL2007147; ANTINEOPLASTIC-690271; NSC-690271; NCI60_032442	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690271	.	.	.	.	423.5	C22H25N5O4	109	831	1.1	31	2	5	6	"InChI=1S/C22H25N5O4/c1-4-5-17(29)24-16-10-26(11-31-3)20(25-16)21(30)27-9-13-7-22(13)15(27)6-14(28)19-18(22)12(2)8-23-19/h6,8,10,13,23H,4-5,7,9,11H2,1-3H3,(H,24,29)/t13-,22+/m1/s1"	CCCC(=O)NC1=CN(C(=N1)C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)C5=C4C(=CN5)C)COC	VEXVGFUQFNGZII-DMZKTXOQSA-N
DG57523	2-(2-fluorophenyl)-6-(pyrrolidin-1-yl)quinolin-4(1H)-one	391311	CHEMBL51409; NSC690274; BDBM50106309; NSC-690274; NCI60_032445; 2-(2''-fluorophenyl)-6-pyrolinyl-4-(1H)-quinolone; 6-Pyrrolizino-2-(2-fluorophenyl)quinoline-4(1H)-one; 2-(2-Fluoro-phenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one; 2-(2-fluorophenyl)-6-(pyrrolidin-1-yl)quinolin-4(1H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690274	.	.	.	.	308.3	C19H17FN2O	32.299	486	3.9	23	1	4	2	"InChI=1S/C19H17FN2O/c20-16-6-2-1-5-14(16)18-12-19(23)15-11-13(7-8-17(15)21-18)22-9-3-4-10-22/h1-2,5-8,11-12H,3-4,9-10H2,(H,21,23)"	C1CCN(C1)C2=CC3=C(C=C2)NC(=CC3=O)C4=CC=CC=C4F	KFKXUFWYUQWHNT-UHFFFAOYSA-N
DG57524	15-Oxozoapatlin	391317	15-oxozoapatlin; NSC690290; CHEMBL1965179; NSC-690290; NCI60_032451	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690290	.	.	.	.	314.4	C20H26O3	43.4	666	3.4	23	0	3	0	"InChI=1S/C20H26O3/c1-12-13-5-9-18(3)19(11-13,15(12)21)10-6-14-17(2)7-4-8-20(14,18)23-16(17)22/h13-14H,1,4-11H2,2-3H3/t13-,14-,17-,18+,19+,20+/m1/s1"	C[C@@]12CCC[C@@]3([C@@H]1CC[C@]45[C@@]3(CC[C@H](C4)C(=C)C5=O)C)OC2=O	JZONYWULSJTTAI-IXFQNSDBSA-N
DG57525	"2-(4-Bromophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide"	391364	"NSC690394; 2-(4-Bromophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide; CHEMBL1971802; ZINC1652334; NSC-690394; NCI60_032457; 2-(4-bromophenyl)-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690394	.	.	.	.	339.17	C12H7BrN2O3S	75.7	468	2.1	19	0	4	1	"InChI=1S/C12H7BrN2O3S/c13-8-3-5-9(6-4-8)15-12(16)10-2-1-7-14-11(10)19(15,17)18/h1-7H"	C1=CC2=C(N=C1)S(=O)(=O)N(C2=O)C3=CC=C(C=C3)Br	XECDXJIOEYOFGS-UHFFFAOYSA-N
DG57526	"Methyl 4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate"	391365	"NSC690396; CHEMBL1980043; NSC-690396; Methyl 4-(1,3-diphenyl-1H-pyrazol-4-yl)-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate; methyl 4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate; NCI60_032459"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690396	.	.	.	.	473.5	C30H23N3O3	73.2	943	5.1	36	1	5	5	"InChI=1S/C30H23N3O3/c1-18-24(30(35)36-2)25(26-28(31-18)21-15-9-10-16-22(21)29(26)34)23-17-33(20-13-7-4-8-14-20)32-27(23)19-11-5-3-6-12-19/h3-17,25,31H,1-2H3"	CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OC	OLRVJGHTEQBRGJ-UHFFFAOYSA-N
DG57527	"Ethyl 4-(1,3-diphenyl-1H-pyrazol-4-yl)-2-methyl-5-oxo-5H-indeno[1,2-b]pyridine-3-carboxylate"	391366	"NSC690397; CHEMBL2003598; ZINC1652337; NSC-690397; Ethyl 4-(1,3-diphenyl-1H-pyrazol-4-yl)-2-methyl-5-oxo-5H-indeno[1,2-b]pyridine-3-carboxylate; NCI60_032460; ethyl 4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxo-indeno[1,2-b]pyridine-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690397	.	.	.	.	485.5	C31H23N3O3	74.1	823	5.9	37	0	5	6	"InChI=1S/C31H23N3O3/c1-3-37-31(36)25-19(2)32-29-22-16-10-11-17-23(22)30(35)27(29)26(25)24-18-34(21-14-8-5-9-15-21)33-28(24)20-12-6-4-7-13-20/h4-18H,3H2,1-2H3"	CCOC(=O)C1=C(N=C2C3=CC=CC=C3C(=O)C2=C1C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C	NESPCIIZNOJNMP-UHFFFAOYSA-N
DG57528	"N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide"	391373	"CHEMBL61609; NSC690430; BDBM50471656; NSC-690430; NCI60_032468; N-[[(S)-1,2,3-Trihydroxy-9-oxo-10-(methylthio)-5,6,7,9-tetrahydrobenzo[a]heptalene]-7alpha-yl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690430	.	.	.	.	373.4	C19H19NO5S	132	698	0.8	26	4	6	2	"InChI=1S/C19H19NO5S/c1-9(21)20-13-5-3-10-7-15(23)18(24)19(25)17(10)11-4-6-16(26-2)14(22)8-12(11)13/h4,6-8,13,23-25H,3,5H2,1-2H3,(H,20,21)/t13-/m0/s1"	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)O)O)O	UQUOBYNEJAGXLI-ZDUSSCGKSA-N
DG57529	"Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2-(1-hydroxyethyl)-"	391375	"NSC690432; Neuro_000450; CHEMBL142812; SCHEMBL6999890; Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2-(1-hydroxyethyl)-; NSC-690432; 215371-63-4; NCI60_032470; Benzo[1,4-b']dithiophene-4,8-dione, 2-(1-hydroxyethyl)-; 2-(1-Hydroxyethyl)benzo[1,2-b:5,4-b']dithiophene-4,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690432	.	.	.	.	264.3	C12H8O3S2	111	371	2.4	17	1	5	1	"InChI=1S/C12H8O3S2/c1-5(13)8-4-7-9(14)6-2-3-16-11(6)10(15)12(7)17-8/h2-5,13H,1H3"	CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)C=CS3)O	ICOJWFLYZGAGHZ-UHFFFAOYSA-N
DG57530	"Benzo[1,4-b']dithiophene-4,8-dione, 2,5-bis(1-hydroxyethyl)-"	391376	"NSC690433; Neuro_000451; CHEMBL357765; NSC-690433; NCI60_032471; 2,5-Bis(1-hydroxyethyl)benzo[1,2-b:5,4-b']dithiophene-4,8-dione; Benzo[1,4-b']dithiophene-4,8-dione, 2,5-bis(1-hydroxyethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690433	.	.	.	.	308.4	C14H12O4S2	131	441	2	20	2	6	2	"InChI=1S/C14H12O4S2/c1-5(15)8-4-19-14-10(8)11(17)7-3-9(6(2)16)20-13(7)12(14)18/h3-6,15-16H,1-2H3"	CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)C(=CS3)C(C)O)O	SBHSPVCXPBMFDR-UHFFFAOYSA-N
DG57531	"Benzo[1,4-b']dithiophene-4,8-dione, 2-(1-acetoxyethyl)-"	391377	"NSC690434; Neuro_000452; CHEMBL142296; SCHEMBL6994206; NSC-690434; NCI60_032472; Benzo[1,4-b']dithiophene-4,8-dione, 2-(1-acetoxyethyl)-; 2-(1-Acetoxyethyl)benzo[1,2-b:5,4-b']dithiophene-4,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690434	.	.	.	.	306.4	C14H10O4S2	117	464	3	20	0	6	3	"InChI=1S/C14H10O4S2/c1-6(18-7(2)15)10-5-9-11(16)8-3-4-19-13(8)12(17)14(9)20-10/h3-6H,1-2H3"	CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)C=CS3)OC(=O)C	LFJAPIMLXGZSSZ-UHFFFAOYSA-N
DG57532	"Benzo[1,4-b']dithiophene-4,8-dione, 2,5-bis(1-acetoxyethyl)-"	391378	"NSC690435; Neuro_000453; CHEMBL347969; NSC-690435; NCI60_032473; 2,5-Bis(1-acetoxyethyl)benzo[1,2-b:5,4-b']dithiophene-4,8-dione; Benzo[1,4-b']dithiophene-4,8-dione, 2,5-bis(1-acetoxyethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690435	.	.	.	.	392.4	C18H16O6S2	143	635	3.1	26	0	8	6	"InChI=1S/C18H16O6S2/c1-7(23-9(3)19)12-6-25-18-14(12)15(21)11-5-13(8(2)24-10(4)20)26-17(11)16(18)22/h5-8H,1-4H3"	CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)C(=CS3)C(C)OC(=O)C)OC(=O)C	JFEMGTTXNHRUOR-UHFFFAOYSA-N
DG57533	"2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-dihexylpentanediamide"	391379	NSC690436; CHEMBL2006949; NSC-690436; NCI60_032474	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690436	.	.	.	.	620.8	C32H48N10O3	194	887	2.3	45	5	10	19	"InChI=1S/C32H48N10O3/c1-4-6-8-10-18-35-26(43)17-16-25(31(45)36-19-11-9-7-5-2)39-30(44)22-12-14-24(15-13-22)42(3)21-23-20-37-29-27(38-23)28(33)40-32(34)41-29/h12-15,20,25H,4-11,16-19,21H2,1-3H3,(H,35,43)(H,36,45)(H,39,44)(H4,33,34,37,40,41)"	CCCCCCNC(=O)CCC(C(=O)NCCCCCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N	NJZDGXZUYWRFCD-UHFFFAOYSA-N
DG57534	4-[(6-chloro-9-oxo-xanthen-4-yl)methylamino]-N-thiazol-2-yl-benzenesulfonamide	391383	"NSC690556; CHEMBL1995001; NSC-690556; NCI60_032480; 4-[(6-chloro-9-oxo-xanthen-4-yl)methylamino]-N-thiazol-2-yl-benzenesulfonamide; 4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}-N-1,3-thiazol-2-ylbenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690556	.	.	.	.	498	C23H16ClN3O4S2	134	802	5	33	2	8	6	"InChI=1S/C23H16ClN3O4S2/c24-15-4-9-18-20(12-15)31-22-14(2-1-3-19(22)21(18)28)13-26-16-5-7-17(8-6-16)33(29,30)27-23-25-10-11-32-23/h1-12,26H,13H2,(H,25,27)"	C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)Cl)CNC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5	CHQPFVHWSKGZMX-UHFFFAOYSA-N
DG57535	4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}benzenesulfonamide	391385	NSC690558; CHEMBL1999336; 4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}benzenesulfonamide; NSC-690558; NCI60_032482; 4-[(6-chloro-9-oxo-xanthen-4-yl)methylamino]benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690558	.	.	.	.	414.9	C20H15ClN2O4S	107	674	3.6	28	2	6	4	"InChI=1S/C20H15ClN2O4S/c21-13-4-9-16-18(10-13)27-20-12(2-1-3-17(20)19(16)24)11-23-14-5-7-15(8-6-14)28(22,25)26/h1-10,23H,11H2,(H2,22,25,26)"	C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)Cl)CNC4=CC=C(C=C4)S(=O)(=O)N	GGHSLRUUWOQUIQ-UHFFFAOYSA-N
DG57536	N-[4-[(6-chloro-9-oxo-xanthen-4-yl)methylamino]phenyl]sulfonylacetamide	391386	NSC690559; CHEMBL1991485; NSC-690559; NCI60_032483; N-[4-[(6-chloro-9-oxo-xanthen-4-yl)methylamino]phenyl]sulfonylacetamide; N-[(4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}phenyl)sulfonyl]acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690559	.	.	.	.	456.9	C22H17ClN2O5S	110	777	3.8	31	2	6	5	"InChI=1S/C22H17ClN2O5S/c1-13(26)25-31(28,29)17-8-6-16(7-9-17)24-12-14-3-2-4-19-21(27)18-10-5-15(23)11-20(18)30-22(14)19/h2-11,24H,12H2,1H3,(H,25,26)"	CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NCC2=C3C(=CC=C2)C(=O)C4=C(O3)C=C(C=C4)Cl	RRUMSEVNNYUEFL-UHFFFAOYSA-N
DG57537	3-Chloro-5-[(4-methoxyanilino)methyl]xanthen-9-one	391389	NSC690562; 3-chloro-5-[(4-methoxyanilino)methyl]xanthen-9-one; CHEMBL1988671; 3-Chloro-5-{[(4-methoxyphenyl)amino]methyl}-9H-xanthen-9-one; NSC-690562; NCI60_032486	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690562	.	.	.	.	365.8	C21H16ClNO3	47.6	494	5	26	1	4	4	"InChI=1S/C21H16ClNO3/c1-25-16-8-6-15(7-9-16)23-12-13-3-2-4-18-20(24)17-10-5-14(22)11-19(17)26-21(13)18/h2-11,23H,12H2,1H3"	COC1=CC=C(C=C1)NCC2=C3C(=CC=C2)C(=O)C4=C(O3)C=C(C=C4)Cl	JHUYXDVAGJOEHO-UHFFFAOYSA-N
DG57538	3-Chloro-5-(phenylsulfanylmethyl)xanthen-9-one	391390	NSC690563; 3-chloro-5-(phenylsulfanylmethyl)xanthen-9-one; CHEMBL2006537; NSC-690563; NCI60_032487; 3-Chloro-5-[(phenylthio)methyl]-9H-xanthen-9-one; 3-Chloro-5-[(phenylthio)methyl]-9H-xanthene-9-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690563	.	.	.	.	352.8	C20H13ClO2S	51.6	451	5.6	24	0	3	3	"InChI=1S/C20H13ClO2S/c21-14-9-10-16-18(11-14)23-20-13(5-4-8-17(20)19(16)22)12-24-15-6-2-1-3-7-15/h1-11H,12H2"	C1=CC=C(C=C1)SCC2=C3C(=CC=C2)C(=O)C4=C(O3)C=C(C=C4)Cl	IVDJZAGOHBOWFZ-UHFFFAOYSA-N
DG57539	"2,4-Dichloro-1-(propylamino)acridin-9(10H)-one"	391392	"NSC690565; 2,4-dichloro-1-(propylamino)-10H-acridin-9-one; 2,4-Dichloro-1-(propylamino)acridin-9(10H)-one; CHEMBL1969227; NSC-690565; NCI60_032489"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690565	.	.	.	.	321.2	C16H14Cl2N2O	41.1	393	5.7	21	2	3	3	"InChI=1S/C16H14Cl2N2O/c1-2-7-19-14-10(17)8-11(18)15-13(14)16(21)9-5-3-4-6-12(9)20-15/h3-6,8,19H,2,7H2,1H3,(H,20,21)"	CCCNC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3N2)Cl)Cl	QHAXEANHMSYQQY-UHFFFAOYSA-N
DG57540	"2,4-Dichloro-1-(4-methylpiperazin-1-yl)acridin-9(10H)-one"	391395	"NSC690568; CHEMBL1982918; 2,4-dichloro-1-(4-methylpiperazin-1-yl)-10H-acridin-9-one; 2,4-Dichloro-1-(4-methylpiperazin-1-yl)acridin-9(10H)-one; NSC-690568; NCI60_032492; 1-(4-Methyl-1-piperazinyl)-2,4-dichloro-9(10H)-acridinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690568	.	.	.	.	362.2	C18H17Cl2N3O	35.6	483	4.2	24	1	4	1	"InChI=1S/C18H17Cl2N3O/c1-22-6-8-23(9-7-22)17-13(20)10-12(19)16-15(17)18(24)11-4-2-3-5-14(11)21-16/h2-5,10H,6-9H2,1H3,(H,21,24)"	CN1CCN(CC1)C2=C(C=C(C3=C2C(=O)C4=CC=CC=C4N3)Cl)Cl	VLWHEULXBDRQND-UHFFFAOYSA-N
DG57541	"1H-triazolo[4,5-d]pyridazin-4-amine"	391402	"NSC690575; CHEMBL1973314; SCHEMBL10265097; AKOS006315128; 1H-triazolo[4,5-d]pyridazin-4-amine; NSC-690575; NCI60_032499; 1H-[1,2,3]Triazolo[4,5-d]pyridazin-4-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690575	.	.	.	.	136.12	C4H4N6	93.4	127	-1.4	10	2	5	0	"InChI=1S/C4H4N6/c5-4-3-2(1-6-9-4)7-10-8-3/h1H,(H2,5,9)(H,7,8,10)"	C1=NN=C(C2=NNN=C21)N	IETZPSZPJLVYHW-UHFFFAOYSA-N
DG57542	"N,N-dimethyl-N'-(1H-triazolo[4,5-d]pyridazin-4-yl)formamidine"	391404	"NSC690577; CHEMBL1990083; NSC-690577; NCI60_032501; N,N-dimethyl-N'-(1H-triazolo[4,5-d]pyridazin-4-yl)formamidine; N,N-Dimethyl-N'-(1H-[1,2,3]triazolo[4,5-d]pyridazin-4-yl)imidoformamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690577	.	.	.	.	191.19	C7H9N7	83	216	-1.1	14	1	5	2	"InChI=1S/C7H9N7/c1-14(2)4-8-7-6-5(3-9-12-7)10-13-11-6/h3-4H,1-2H3,(H,10,11,13)"	CN(C)C=NC1=NN=CC2=NNN=C21	RMDOYEVAYHWPMH-UHFFFAOYSA-N
DG57543	"4-Hydrazino-1H-[1,2,3]triazolo[4,5-d]pyridazine"	391405	"NSC690578; 4-Hydrazino-1H-[1,2,3]triazolo[4,5-d]pyridazine; CHEMBL1976464; AKOS006315129; NSC-690578; NCI60_032502; 1H-triazolo[4,5-d]pyridazin-4-ylhydrazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690578	.	.	.	.	151.13	C4H5N7	105	138	-1.5	11	3	6	1	"InChI=1S/C4H5N7/c5-7-4-3-2(1-6-10-4)8-11-9-3/h1H,5H2,(H,7,10)(H,8,9,11)"	C1=NN=C(C2=NNN=C21)NN	KSEJAGADQCEKJY-UHFFFAOYSA-N
DG57544	"5-Methyl-7-methylsulfanyl-imidazo[4,5-d]pyridazine"	391409	"NSC690582; CHEMBL1975553; NSC-690582; NCI60_032506; 5-methyl-7-methylsulfanyl-imidazo[4,5-d]pyridazine; 5-Methyl-7-(methylthio)-5H-imidazo[4,5-d]pyridazine; Methyl 5-methyl-5H-imidazo[4,5-d]pyridazin-7-yl sulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690582	.	.	.	.	180.23	C7H8N4S	68.9	166	0.4	12	0	4	1	"InChI=1S/C7H8N4S/c1-11-3-5-6(9-4-8-5)7(10-11)12-2/h3-4H,1-2H3"	CN1C=C2C(=NC=N2)C(=N1)SC	YSJMHNKVUFPWIV-UHFFFAOYSA-N
DG57545	"5-[(4-Nitrophenyl)methyl]-7-[(4-nitrophenyl)methylsulfanyl]imidazo[4,5-d]pyridazine"	391411	"NSC690584; CHEMBL1981011; NSC-690584; 5-[(4-nitrophenyl)methyl]-7-[(4-nitrophenyl)methylsulfanyl]imidazo[4,5-d]pyridazine; NCI60_032508; 5-(4-(Hydroxy(oxido)amino)benzyl)-7-((4-(hydroxy(oxido)amino)benzyl)thio)-5H-imidazo[4,5-d]pyridazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690584	.	.	.	.	422.4	C19H14N6O4S	161	601	3.2	30	0	8	5	"InChI=1S/C19H14N6O4S/c26-24(27)15-5-1-13(2-6-15)9-23-10-17-18(21-12-20-17)19(22-23)30-11-14-3-7-16(8-4-14)25(28)29/h1-8,10,12H,9,11H2"	C1=CC(=CC=C1CN2C=C3C(=NC=N3)C(=N2)SCC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]	ZQWMMOGZRVXEEP-UHFFFAOYSA-N
DG57546	"N,N'-bis(1-nitroacridin-9-yl)butane-1,4-diamine"	391438	"NSC690633; N,N'-bis(1-nitroacridin-9-yl)butane-1,4-diamine; SCHEMBL7877922; CHEMBL1999899; ZINC73371611; NSC-690633; NCI60_032531; 1-(Hydroxy(oxido)amino)-9-((4-((1-(hydroxy(oxido)amino)-9-acridinyl)amino)butyl)amino)acridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690633	.	.	.	.	532.5	C30H24N6O4	142	811	7.2	40	2	8	7	"InChI=1S/C30H24N6O4/c37-35(38)25-15-7-13-23-27(25)29(19-9-1-3-11-21(19)33-23)31-17-5-6-18-32-30-20-10-2-4-12-22(20)34-24-14-8-16-26(28(24)30)36(39)40/h1-4,7-16H,5-6,17-18H2,(H,31,33)(H,32,34)"	C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCCCNC4=C5C(=NC6=CC=CC=C64)C=CC=C5[N+](=O)[O-]	FGUMIPRKPHUGLM-UHFFFAOYSA-N
DG57547	"N,N'-bis(1-nitroacridin-9-yl)propane-1,3-diamine"	391439	"NSC690634; NCIMech_000699; N,N'-bis(1-nitroacridin-9-yl)propane-1,3-diamine; SCHEMBL7877715; CHEMBL1972201; ZINC5844303; CCG-36170; NSC-690634; NCI60_032532; 1-(Hydroxy(oxido)amino)-9-((3-((1-(hydroxy(oxido)amino)-9-acridinyl)amino)propyl)amino)acridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690634	.	.	.	.	518.5	C29H22N6O4	142	798	6.8	39	2	8	6	"InChI=1S/C29H22N6O4/c36-34(37)24-14-5-12-22-26(24)28(18-8-1-3-10-20(18)32-22)30-16-7-17-31-29-19-9-2-4-11-21(19)33-23-13-6-15-25(27(23)29)35(38)39/h1-6,8-15H,7,16-17H2,(H,30,32)(H,31,33)"	C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCCNC4=C5C(=NC6=CC=CC=C64)C=CC=C5[N+](=O)[O-]	SWTNGUJPNWBOQC-UHFFFAOYSA-N
DG57548	"N,N'-bis(1-nitroacridin-9-yl)pentane-1,5-diamine"	391440	"NSC690635; Neuro_000454; N,N'-bis(1-nitroacridin-9-yl)pentane-1,5-diamine; CHEMBL1985304; ZINC73329899; NSC-690635; NCI60_032533; 1-(Hydroxy(oxido)amino)-9-((5-((1-(hydroxy(oxido)amino)-9-acridinyl)amino)pentyl)amino)acridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690635	.	.	.	.	546.6	C31H26N6O4	142	827	7.5	41	2	8	8	"InChI=1S/C31H26N6O4/c38-36(39)26-16-8-14-24-28(26)30(20-10-2-4-12-22(20)34-24)32-18-6-1-7-19-33-31-21-11-3-5-13-23(21)35-25-15-9-17-27(29(25)31)37(40)41/h2-5,8-17H,1,6-7,18-19H2,(H,32,34)(H,33,35)"	C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCCCCNC4=C5C(=NC6=CC=CC=C64)C=CC=C5[N+](=O)[O-]	NNOSNVDRJWZODO-UHFFFAOYSA-N
DG57549	1H-indol-3-yl(morpholin-4-yl)methanethione	391442	"NSC690646; 1H-indol-3-yl(morpholin-4-yl)methanethione; 54921-45-8; 3-(MORPHOLINE-4-CARBOTHIOYL)-1H-INDOLE; MLS000709674; CHEMBL1457172; SCHEMBL17179301; HMS2693I08; ZINC253227; STL426492; AKOS000543068; 1H-indol-3-yl(morpholino)methanethione; MCULE-1533343130; NSC-690646; (1H-indol-3-yl)(morpholino)methanethione; NCI60_032535; SMR000286541; Morpholine, 4-(1H-indol-3-ylthioxomethyl)-; AB00122175-01; F1500-0022"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690646	.	.	.	.	246.33	C13H14N2OS	60.4	291	2.1	17	1	2	1	"InChI=1S/C13H14N2OS/c17-13(15-5-7-16-8-6-15)11-9-14-12-4-2-1-3-10(11)12/h1-4,9,14H,5-8H2"	C1COCCN1C(=S)C2=CNC3=CC=CC=C32	LPNFNROQKIYLPG-UHFFFAOYSA-N
DG57550	1H-indol-3-yl-(4-phenylpiperazin-1-yl)methanethione	391444	"NSC690648; 1H-indol-3-yl-(4-phenylpiperazin-1-yl)methanethione; CHEMBL1987338; ZINC1652396; NSC-690648; NCI60_032537; Piperazine, 1-(1H-indol-3-ylthioxomethyl)-4-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690648	.	.	.	.	321.4	C19H19N3S	54.4	413	3.7	23	1	2	2	"InChI=1S/C19H19N3S/c23-19(17-14-20-18-9-5-4-8-16(17)18)22-12-10-21(11-13-22)15-6-2-1-3-7-15/h1-9,14,20H,10-13H2"	C1CN(CCN1C2=CC=CC=C2)C(=S)C3=CNC4=CC=CC=C43	QTSOPXNYURBTDB-UHFFFAOYSA-N
DG57551	N-Butyl-alpha-phenylmorpholine-4-methanimine	391446	NSC690650; CHEMBL2006178; NSC-690650; NCI60_032539; N-butyl-1-morpholino-1-phenyl-methanimine; N-Butyl-alpha-phenylmorpholine-4-methanimine; N-(4-Morpholinyl(phenyl)methylene)-1-butanamine; N-Butyl-N-(4-morpholinyl(phenyl)methylene)amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690650	.	.	.	.	246.35	C15H22N2O	24.8	253	2.4	18	0	2	5	"InChI=1S/C15H22N2O/c1-2-3-9-16-15(14-7-5-4-6-8-14)17-10-12-18-13-11-17/h4-8H,2-3,9-13H2,1H3"	CCCCN=C(C1=CC=CC=C1)N2CCOCC2	HFMYUBLNIKHIRW-UHFFFAOYSA-N
DG57552	"2-(2-oxo-1,3-benzoxazol-3-yl)-N,N-diphenyl-acetamide"	391448	"NSC690652; CHEMBL1977971; AKOS002832716; NSC-690652; NCI60_032541; 2-(2-oxo-1,3-benzoxazol-3-yl)-N,N-diphenyl-acetamide; 2-(2-Oxo-1,3-benzoxazol-3(2H)-yl)-N,N-diphenylacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690652	.	.	.	.	344.4	C21H16N2O3	49.8	493	4	26	0	3	4	"InChI=1S/C21H16N2O3/c24-20(15-22-18-13-7-8-14-19(18)26-21(22)25)23(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2"	C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4OC3=O	YGSRXAUCWIDLQX-UHFFFAOYSA-N
DG57553	"2(3H)-Benzoxazolone, 6-(4-morpholinylacetyl)-3-[2-(1-piperidinyl)ethyl]-"	391450	"NSC690654; CHEMBL1996530; NSC-690654; NCI60_032543; 2(3H)-Benzoxazolone, 6-(4-morpholinylacetyl)-3-[2-(1-piperidinyl)ethyl]-; 6-(2-morpholinoacetyl)-3-[2-(1-piperidyl)ethyl]-1,3-benzoxazol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690654	.	.	.	.	373.4	C20H27N3O4	62.3	531	1.6	27	0	6	6	"InChI=1S/C20H27N3O4/c24-18(15-22-10-12-26-13-11-22)16-4-5-17-19(14-16)27-20(25)23(17)9-8-21-6-2-1-3-7-21/h4-5,14H,1-3,6-13,15H2"	C1CCN(CC1)CCN2C3=C(C=C(C=C3)C(=O)CN4CCOCC4)OC2=O	HNPIAWCWTUFGDS-UHFFFAOYSA-N
DG57554	"2(3H)-Benzoxazolone, 6-(phenylacetyl)-"	391454	"2(3H)-Benzoxazolone, 6-(phenylacetyl)-; 54903-13-8; NSC690658; JPB 8; 6-(Phenylacetyl)-2(3H)-benzoxazolone; BRN 0993133; 6-(2-phenylacetyl)-3H-1,3-benzoxazol-2-one; CHEMBL1991398; DTXSID50203403; ZINC1652406; NSC-690658; NCI60_032547; 6-(2-Phenylacetyl)benzo[d]oxazol-2(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690658	.	.	.	.	253.25	C15H11NO3	55.4	362	2.4	19	1	3	3	"InChI=1S/C15H11NO3/c17-13(8-10-4-2-1-3-5-10)11-6-7-12-14(9-11)19-15(18)16-12/h1-7,9H,8H2,(H,16,18)"	C1=CC=C(C=C1)CC(=O)C2=CC3=C(C=C2)NC(=O)O3	BUZFSNQGRCSNEY-UHFFFAOYSA-N
DG57555	"6-Acetyl-3-(2-dimethylaminoethyl)-1,3-benzoxazol-2-one"	391456	"NSC690660; SCHEMBL8138331; CHEMBL1974312; 6-acetyl-3-(2-dimethylaminoethyl)-1,3-benzoxazol-2-one; NSC-690660; NCI60_032549; 2(3H)-Benzoxazolone, 6-acetyl-3-[2-(dimethylamino)ethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690660	.	.	.	.	248.28	C13H16N2O3	49.8	343	1.2	18	0	4	4	"InChI=1S/C13H16N2O3/c1-9(16)10-4-5-11-12(8-10)18-13(17)15(11)7-6-14(2)3/h4-5,8H,6-7H2,1-3H3"	CC(=O)C1=CC2=C(C=C1)N(C(=O)O2)CCN(C)C	XMIMZNUTJWHFMT-UHFFFAOYSA-N
DG57556	6-[2-(4-Phenyl-1-piperazinyl)-2-thioxoethyl]benzoxazole-2(3H)-one	391458	"NSC690662; CHEMBL1991912; ZINC01652410; NSC-690662; NCI60_032551; 6-[2-(4-Phenyl-1-piperazinyl)-2-thioxoethyl]benzoxazole-2(3H)-one; 6-[2-(4-phenylpiperazin-1-yl)-2-thioxo-ethyl]-3H-1,3-benzoxazol-2-one; Piperazine, 1-[2-(2,3-dihydro-2-oxo-6-benzoxazolyl)-1-thioxoethyl]-4-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690662	.	.	.	.	353.4	C19H19N3O2S	76.9	501	2.7	25	1	4	3	"InChI=1S/C19H19N3O2S/c23-19-20-16-7-6-14(12-17(16)24-19)13-18(25)22-10-8-21(9-11-22)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,20,23)"	C1CN(CCN1C2=CC=CC=C2)C(=S)CC3=CC4=C(C=C3)NC(=O)O4	JEYKIGWMSHNTBA-UHFFFAOYSA-N
DG57557	"6-Acetyl-3-[2-(1-piperidyl)ethyl]-1,3-benzoxazol-2-one"	391459	"NSC690664; CHEMBL1981766; NSC-690664; NCI60_032553; 6-acetyl-3-[2-(1-piperidyl)ethyl]-1,3-benzoxazol-2-one; 6-Acetyl-3-(2-(1-piperidinyl)ethyl)-1,3-benzoxazol-2(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690664	.	.	.	.	288.34	C16H20N2O3	49.8	406	1.9	21	0	4	4	"InChI=1S/C16H20N2O3/c1-12(19)13-5-6-14-15(11-13)21-16(20)18(14)10-9-17-7-3-2-4-8-17/h5-6,11H,2-4,7-10H2,1H3"	CC(=O)C1=CC2=C(C=C1)N(C(=O)O2)CCN3CCCCC3	CWYHKKKPGVPDLX-UHFFFAOYSA-N
DG57558	"6-[2-(1-piperidyl)acetyl]-3H-1,3-benzoxazol-2-one"	391461	"NSC690666; CHEMBL1997324; NSC-690666; NCI60_032555; 2(3H)-Benzoxazolone, 6-(1-piperidinylacetyl)-; 6-[2-(1-piperidyl)acetyl]-3H-1,3-benzoxazol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690666	.	.	.	.	260.29	C14H16N2O3	58.6	366	1.7	19	1	4	3	"InChI=1S/C14H16N2O3/c17-12(9-16-6-2-1-3-7-16)10-4-5-11-13(8-10)19-14(18)15-11/h4-5,8H,1-3,6-7,9H2,(H,15,18)"	C1CCN(CC1)CC(=O)C2=CC3=C(C=C2)NC(=O)O3	SNLDRRAMWXXMKI-UHFFFAOYSA-N
DG57559	"6-[2-(4-benzylpiperazin-1-yl)acetyl]-3H-1,3-benzoxazol-2-one"	391463	"NSC690668; CHEMBL1985872; 6-[2-(4-benzylpiperazin-1-yl)acetyl]-3H-1,3-benzoxazol-2-one; NSC-690668; NCI60_032557; 2(3H)-Benzoxazolone, 6-[[4-(phenylmethyl)-1-piperazinyl]acetyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690668	.	.	.	.	351.4	C20H21N3O3	61.9	512	2.2	26	1	5	5	"InChI=1S/C20H21N3O3/c24-18(16-6-7-17-19(12-16)26-20(25)21-17)14-23-10-8-22(9-11-23)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,21,25)"	C1CN(CCN1CC2=CC=CC=C2)CC(=O)C3=CC4=C(C=C3)NC(=O)O4	PPIWMIWZXVTXOK-UHFFFAOYSA-N
DG57560	"3-Methyl-6-(morpholine-4-carbothioyl)-1,3-benzothiazol-2-one"	391465	"NSC690670; CHEMBL1986287; 3-methyl-6-(morpholine-4-carbothioyl)-1,3-benzothiazol-2-one; NSC-690670; NCI60_032559; Morpholine, 4-[(2,3-dihydro-3-methyl-2-oxo-6-benzothiazolyl)thioxomethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690670	.	.	.	.	294.4	C13H14N2O2S2	90.2	385	1.7	19	0	4	1	"InChI=1S/C13H14N2O2S2/c1-14-10-3-2-9(8-11(10)19-13(14)16)12(18)15-4-6-17-7-5-15/h2-3,8H,4-7H2,1H3"	CN1C2=C(C=C(C=C2)C(=S)N3CCOCC3)SC1=O	ZAMQPJIPHDHDDQ-UHFFFAOYSA-N
DG57561	"3-Methyl-6-(piperidine-1-carbothioyl)-1,3-benzothiazol-2-one"	391467	"NSC690672; CHEMBL2001061; 3-methyl-6-(piperidine-1-carbothioyl)-1,3-benzothiazol-2-one; NSC-690672; NCI60_032561; Piperidine, 1-[(2,3-dihydro-3-methyl-2-oxo-6-benzothiazolyl)thioxomethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690672	.	.	.	.	292.4	C14H16N2OS2	80.9	382	2.9	19	0	3	1	"InChI=1S/C14H16N2OS2/c1-15-11-6-5-10(9-12(11)19-14(15)17)13(18)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3"	CN1C2=C(C=C(C=C2)C(=S)N3CCCCC3)SC1=O	JXBLNGNVHOCCMV-UHFFFAOYSA-N
DG57562	"6-[2-(1-piperidyl)-2-thioxo-ethyl]-3H-1,3-benzothiazol-2-one"	391471	"NSC690676; CHEMBL1982323; ZINC1652424; NSC-690676; NCI60_032565; 6-[2-(1-piperidyl)-2-thioxo-ethyl]-3H-1,3-benzothiazol-2-one; Piperidine, 1-[2-(2,3-dihydro-2-oxo-6-benzothiazolyl)-1-thioxoethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690676	.	.	.	.	292.4	C14H16N2OS2	89.7	369	2.5	19	1	3	2	"InChI=1S/C14H16N2OS2/c17-14-15-11-5-4-10(8-12(11)19-14)9-13(18)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,15,17)"	C1CCN(CC1)C(=S)CC2=CC3=C(C=C2)NC(=O)S3	BMHPYJQNVAIYTK-UHFFFAOYSA-N
DG57563	"6-[2-(4-phenylpiperazin-1-yl)-2-thioxo-ethyl]-3H-1,3-benzothiazol-2-one"	391473	"NSC690678; CHEMBL1998142; NSC-690678; NCI60_032567; 6-[2-(4-phenylpiperazin-1-yl)-2-thioxo-ethyl]-3H-1,3-benzothiazol-2-one; Piperazine, 1-[2-(2,3-dihydro-2-oxo-6-benzothiazolyl)-1-thioxoethyl]-4-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690678	.	.	.	.	369.5	C19H19N3OS2	93	501	3.3	25	1	4	3	"InChI=1S/C19H19N3OS2/c23-19-20-16-7-6-14(12-17(16)25-19)13-18(24)22-10-8-21(9-11-22)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,20,23)"	C1CN(CCN1C2=CC=CC=C2)C(=S)CC3=CC4=C(C=C3)NC(=O)S4	FUOCEEAFEGERRU-UHFFFAOYSA-N
DG57564	"5-Amino-2-(1,3-dithian-2-yl)-1,3-oxazole-4-carbonitrile"	391478	"NSC690683; 5-Amino-2-(1,3-dithian-2-yl)-1,3-oxazole-4-carbonitrile; CHEMBL1998987; NSC-690683; NCI60_032572; 5-amino-2-(1,3-dithian-2-yl)oxazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690683	.	.	.	.	227.3	C8H9N3OS2	126	248	2	14	1	6	1	"InChI=1S/C8H9N3OS2/c9-4-5-6(10)12-7(11-5)8-13-2-1-3-14-8/h8H,1-3,10H2"	C1CSC(SC1)C2=NC(=C(O2)N)C#N	LNBXRKMFFMQZKG-UHFFFAOYSA-N
DG57565	"5-Amino-2-heptadecyl-1,3-oxazole-4-carbonitrile"	391479	"NSC690684; 5-Amino-2-heptadecyl-1,3-oxazole-4-carbonitrile; CHEMBL1973053; ZINC73259029; NSC-690684; NCI60_032573; 5-amino-2-heptadecyl-oxazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690684	.	.	.	.	347.5	C21H37N3O	75.8	352	9.4	25	1	4	16	"InChI=1S/C21H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-19(18-22)21(23)25-20/h2-17,23H2,1H3"	CCCCCCCCCCCCCCCCCC1=NC(=C(O1)N)C#N	HZBKCIYIRLMFPT-UHFFFAOYSA-N
DG57566	"5-Amino-2-benzoyl-1,3-oxazole-4-carbonitrile"	391480	"NSC690685; 5-Amino-2-benzoyl-1,3-oxazole-4-carbonitrile; CHEMBL1990882; ZINC1652432; NSC-690685; 5-amino-2-benzoyl-oxazole-4-carbonitrile; NCI60_032574"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690685	.	.	.	.	213.19	C11H7N3O2	92.9	316	2.3	16	1	5	2	"InChI=1S/C11H7N3O2/c12-6-8-10(13)16-11(14-8)9(15)7-4-2-1-3-5-7/h1-5H,13H2"	C1=CC=C(C=C1)C(=O)C2=NC(=C(O2)N)C#N	MUZLBRWXNZWHOC-UHFFFAOYSA-N
DG57567	"3-amino-8-methyl-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-1H-isochromene-4-carbonitrile"	391510	"NSC690758; 3-amino-8-methyl-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-1H-isochromene-4-carbonitrile; CHEMBL1973438; NSC-690758; NCI60_032603; 1H-2-Benzopyran-4-carbonitrile, 3-amino-5,6,7,8-tetrahydro-8-methyl-1-(3,4,5-trimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690758	.	.	.	.	356.4	C20H24N2O4	86.7	633	3.1	26	1	6	4	"InChI=1S/C20H24N2O4/c1-11-6-5-7-13-14(10-21)20(22)26-18(17(11)13)12-8-15(23-2)19(25-4)16(9-12)24-3/h8-9,11,18H,5-7,22H2,1-4H3"	CC1CCCC2=C1C(OC(=C2C#N)N)C3=CC(=C(C(=C3)OC)OC)OC	SUVJNRIDMSOZQY-UHFFFAOYSA-N
DG57568	"3-Amino-1-(3,4-dimethoxyphenyl)-8-methyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile"	391512	"NSC690760; 3-amino-1-(3,4-dimethoxyphenyl)-8-methyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile; CHEMBL2007177; NSC-690760; NCI60_032604; 4-Isoquinolinecarbonitrile, 3-amino-1-(3,4-dimethoxyphenyl)-1,2,5,6,7,8-hexahydro-8-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690760	.	.	.	.	325.4	C19H23N3O2	80.3	601	3.1	24	2	5	3	"InChI=1S/C19H23N3O2/c1-11-5-4-6-13-14(10-20)19(21)22-18(17(11)13)12-7-8-15(23-2)16(9-12)24-3/h7-9,11,18,22H,4-6,21H2,1-3H3"	CC1CCCC2=C1C(NC(=C2C#N)N)C3=CC(=C(C=C3)OC)OC	GUWTUEWWTLWBKU-UHFFFAOYSA-N
DG57569	"3-Amino-1-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile"	391516	"NSC690764; 3-amino-1-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile; CHEMBL1977991; NSC-690764; NCI60_032608; 4-Isoquinolinecarbonitrile, 3-amino-1-(4-chlorophenyl)-5,6,7,8-tetrahydro-5-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690764	.	.	.	.	297.8	C17H16ClN3	62.7	410	4.8	21	1	3	1	"InChI=1S/C17H16ClN3/c1-10-3-2-4-13-15(10)14(9-19)17(20)21-16(13)11-5-7-12(18)8-6-11/h5-8,10H,2-4H2,1H3,(H2,20,21)"	CC1CCCC2=C1C(=C(N=C2C3=CC=C(C=C3)Cl)N)C#N	YMXJDOJEEXWEKV-UHFFFAOYSA-N
DG57570	"Methyl 2,2-dimethyl-5-((4-methylphenyl)sulfonyl)tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4-carboxylate"	391523	"NSC690771; CHEMBL2006449; NSC-690771; NCI60_032615; Methyl 2,2-dimethyl-5-((4-methylphenyl)sulfonyl)tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4-carboxylate; methyl 2,2-dimethyl-5-(p-tolylsulfonyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690771	.	.	.	.	355.4	C16H21NO6S	90.5	590	1.5	24	0	7	4	"InChI=1S/C16H21NO6S/c1-10-5-7-11(8-6-10)24(19,20)17-9-12-14(13(17)15(18)21-4)23-16(2,3)22-12/h5-8,12-14H,9H2,1-4H3"	CC1=CC=C(C=C1)S(=O)(=O)N2CC3C(C2C(=O)OC)OC(O3)(C)C	OYGPUVRRQPKRPV-UHFFFAOYSA-N
DG57571	"4-[2-(2,8-Dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine"	391533	"NSC690782; CHEMBL1992189; 4-[2-(2,8-dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine; NSC-690782; NCI60_032622; 5,6-Dihydro-2,8-dimethoxy-11-(2-morpholinoethyl)-11H-benzo[a]carbazole; 2,8-Dimethoxy-11-(2-(4-morpholinyl)ethyl)-6,11-dihydro-5H-benzo[a]carbazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690782	.	.	.	.	392.5	C24H28N2O3	35.9	540	3.5	29	0	4	5	"InChI=1S/C24H28N2O3/c1-27-18-5-3-17-4-7-20-22-16-19(28-2)6-8-23(22)26(24(20)21(17)15-18)10-9-25-11-13-29-14-12-25/h3,5-6,8,15-16H,4,7,9-14H2,1-2H3"	COC1=CC2=C(CCC3=C2N(C4=C3C=C(C=C4)OC)CCN5CCOCC5)C=C1	YVCHJKSPZZWASZ-UHFFFAOYSA-N
DG57572	"4-[2-(3,8-Dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine"	391535	"NSC690784; CHEMBL1975584; 4-[2-(3,8-dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine; NSC-690784; NCI60_032624; 5,6-Dihydro-3,8-dimethoxy-11-(2-morpholinoethyl)-11H-benzo[a]carbazole; 3,8-Dimethoxy-11-(2-(4-morpholinyl)ethyl)-6,11-dihydro-5H-benzo[a]carbazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690784	.	.	.	.	392.5	C24H28N2O3	35.9	540	3.5	29	0	4	5	"InChI=1S/C24H28N2O3/c1-27-18-4-7-20-17(15-18)3-6-21-22-16-19(28-2)5-8-23(22)26(24(20)21)10-9-25-11-13-29-14-12-25/h4-5,7-8,15-16H,3,6,9-14H2,1-2H3"	COC1=CC2=C(C=C1)C3=C(CC2)C4=C(N3CCN5CCOCC5)C=CC(=C4)OC	QILLSXIKKBYEDP-UHFFFAOYSA-N
DG57573	"trimethyl 4-methoxy-5-(1,3,4-triphenyl-2H-1$l^{5}-phosphet-1-ylidene)cyclopenta-1,3-diene-1,2,3-tricarboxylate"	391572	"NSC690983; CHEMBL1991184; NSC-690983; NCI60_032656; Trimethyl 4-methoxy-5-(1,3,4-triphenyl-1,2-dihydro-1.lambda.~5~-phosphet-1-ylidene)-1,3-cyclopentadiene-1,2,3-tricarboxylate; trimethyl 4-methoxy-5-(1,3,4-triphenyl-2H-1$l^{5}-phosphet-1-ylidene)cyclopenta-1,3-diene-1,2,3-tricarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690983	.	.	.	.	568.6	C33H29O7P	88.1	1220	3.9	41	0	7	10	"InChI=1S/C33H29O7P/c1-37-28-26(32(35)39-3)25(31(34)38-2)27(33(36)40-4)30(28)41(23-18-12-7-13-19-23)20-24(21-14-8-5-9-15-21)29(41)22-16-10-6-11-17-22/h5-19H,20H2,1-4H3"	COC1=C(C(=C(C1=P2(CC(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC)C(=O)OC)C(=O)OC	SZXBFKJYYYMBQY-UHFFFAOYSA-N
DG57574	"(2,2-dimethyl-3H-furo[3,2-h]quinolin-5-yl) acetate"	391577	"NSC691032; (2,2-dimethyl-3H-furo[3,2-h]quinolin-5-yl) acetate; CHEMBL1984302; 2,2-Dimethyl-2,3-dihydrofuro[3,2-h]quinolin-5-yl acetate; NSC-691032; NCI60_032661"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691032	.	.	.	.	257.279	C15H15NO3	48.4	368	2.6	19	0	4	2	"InChI=1S/C15H15NO3/c1-9(17)18-12-7-10-8-15(2,3)19-14(10)13-11(12)5-4-6-16-13/h4-7H,8H2,1-3H3"	CC(=O)OC1=C2C=CC=NC2=C3C(=C1)CC(O3)(C)C	CZUJBHYKEBSVRK-UHFFFAOYSA-N
DG57575	(-)-Avarol	391578	(-)-Avarol; CHEMBL1983789; ZINC5515860; NSC691033; NSC-691033; NCI60_032662	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691033	.	.	.	.	314.5	C21H30O2	40.5	471	6	23	2	2	2	"InChI=1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h6,8-9,12,15,19,22-23H,5,7,10-11,13H2,1-4H3/t15-,19+,20+,21+/m1/s1"	C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC3=C(C=CC(=C3)O)O)CCC=C2C)C	JSPUCPNQXKTYRO-DVMWJLJYSA-N
DG57576	"4-nitro-N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide"	391582	"NSC691037; CHEMBL293815; NSC-691037; NCI60_032666; N-[[(S)-1,2,3-Trihydroxy-9-oxo-10-(methylthio)-5,6,7,9-tetrahydrobenzo[a]heptalene]-7alpha-yl]-4-nitrobenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691037	.	.	.	.	480.5	C24H20N2O7S	178	932	2.3	34	4	8	3	"InChI=1S/C24H20N2O7S/c1-34-20-9-7-15-16(11-18(20)27)17(8-4-13-10-19(28)22(29)23(30)21(13)15)25-24(31)12-2-5-14(6-3-12)26(32)33/h2-3,5-7,9-11,17,28-30H,4,8H2,1H3,(H,25,31)/t17-/m0/s1"	CSC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]	DZCRDACLOICYRT-KRWDZBQOSA-N
DG57577	"4-amino-N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide;hydrochloride"	391583	NSC691038; CHEMBL1996283; NSC-691038	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691038	.	.	.	.	487	C24H23ClN2O5S	158	845	.	33	6	7	3	"InChI=1S/C24H22N2O5S.ClH/c1-32-20-9-7-15-16(11-18(20)27)17(26-24(31)12-2-5-14(25)6-3-12)8-4-13-10-19(28)22(29)23(30)21(13)15;/h2-3,5-7,9-11,17,28-30H,4,8,25H2,1H3,(H,26,31);1H/t17-;/m0./s1"	CSC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=C(C=C4)N.Cl	ARPJMOGZCIRPAX-LMOVPXPDSA-N
DG57578	"(7s)-7-Hydroxy-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5h-benzo [a]heptalen-9-one"	391584	"NSC691039; CHEMBL176684; NSC-691039; NCI60_032668; (7s)-7-hydroxy-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5h-benzo [a]heptalen-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691039	.	.	.	.	374.5	C20H22O5S	90.3	638	1.8	26	1	6	4	"InChI=1S/C20H22O5S/c1-23-16-9-11-5-7-14(21)13-10-15(22)17(26-4)8-6-12(13)18(11)20(25-3)19(16)24-2/h6,8-10,14,21H,5,7H2,1-4H3/t14-/m0/s1"	COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)O)OC)OC	JHFPQOLAHRTDAC-AWEZNQCLSA-N
DG57579	"Isonicotinic acid (S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl ester"	391585	"CHEMBL49847; NSC691040; BDBM50056948; NSC-691040; NCI60_032669; (S)-7-(4-Pyridylcarbonyloxy)-6,7-dihydro-10-methylthio-1,2,3-trimethoxybenzo[a]heptalen-9(5H)-one; Isonicotinic acid (S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl ester; Isonicotinic acid 1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691040	.	.	.	.	479.5	C26H25NO6S	109	861	2.9	34	0	8	7	"InChI=1S/C26H25NO6S/c1-30-21-13-16-5-7-20(33-26(29)15-9-11-27-12-10-15)18-14-19(28)22(34-4)8-6-17(18)23(16)25(32-3)24(21)31-2/h6,8-14,20H,5,7H2,1-4H3/t20-/m0/s1"	COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)OC(=O)C4=CC=NC=C4)OC)OC	CWATZKGHUVXYMO-FQEVSTJZSA-N
DG57580	"(S)-7-Acetoxy-6,7-dihydro-10-methylthio-1,2,3-trimethoxybenzo[a]heptalen-9(5H)-one"	391586	"NSC691041; CHEMBL368670; NSC-691041; NCI60_032670; (S)-7-Acetoxy-6,7-dihydro-10-methylthio-1,2,3-trimethoxybenzo[a]heptalen-9(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691041	.	.	.	.	416.5	C22H24O6S	96.4	740	2.3	29	0	7	6	"InChI=1S/C22H24O6S/c1-12(23)28-17-8-6-13-10-18(25-2)21(26-3)22(27-4)20(13)14-7-9-19(29-5)16(24)11-15(14)17/h7,9-11,17H,6,8H2,1-5H3/t17-/m0/s1"	CC(=O)O[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC	LLSIBTDXBWUAIU-KRWDZBQOSA-N
DG57581	2-(2-Aminoethylsulfanyl)-3-phenyl-quinazolin-4-one	391591	NSC691075; CHEMBL1991519; NSC-691075; NCI60_032675; 2-(2-aminoethylsulfanyl)-3-phenyl-quinazolin-4-one; 2-((2-Aminoethyl)thio)-3-phenyl-4(3H)-quinazolinone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691075	.	.	.	.	297.4	C16H15N3OS	84	406	2.1	21	1	4	4	"InChI=1S/C16H15N3OS/c17-10-11-21-16-18-14-9-5-4-8-13(14)15(20)19(16)12-6-2-1-3-7-12/h1-9H,10-11,17H2"	C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCN	QQKRHHIDYRJRSP-UHFFFAOYSA-N
DG57582	"3-(4-Nitrophenyl)-6-phenyl-cyclohex-4-ene-1,1,2,2-tetracarbonitrile"	391620	"NSC691106; CHEMBL1996934; 3-(4-nitrophenyl)-6-phenyl-cyclohex-4-ene-1,1,2,2-tetracarbonitrile; NSC-691106; NCI60_032702; 3-(4-(Hydroxy(oxido)amino)phenyl)-6-phenyl-4-cyclohexene-1,1,2,2-tetracarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691106	.	.	.	.	379.4	C22H13N5O2	141	849	3.1	29	0	6	2	"InChI=1S/C22H13N5O2/c23-12-21(13-24)19(16-4-2-1-3-5-16)10-11-20(22(21,14-25)15-26)17-6-8-18(9-7-17)27(28)29/h1-11,19-20H"	C1=CC=C(C=C1)C2C=CC(C(C2(C#N)C#N)(C#N)C#N)C3=CC=C(C=C3)[N+](=O)[O-]	YXRGKTJRPQYRIH-UHFFFAOYSA-N
DG57583	"1,2-Bis(4-methoxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione"	391627	"NSC691113; 1,2-Bis(4-methoxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione; CHEMBL1965273; NSC-691113; NCI60_032707"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691113	.	.	.	.	389.4	C22H19N3O4	62.3	537	4.1	29	0	4	5	"InChI=1S/C22H19N3O4/c1-28-19-12-8-17(9-13-19)24-21(26)23(16-6-4-3-5-7-16)22(27)25(24)18-10-14-20(29-2)15-11-18/h3-15H,1-2H3"	COC1=CC=C(C=C1)N2C(=O)N(C(=O)N2C3=CC=C(C=C3)OC)C4=CC=CC=C4	YHNLCRCLYNKSLY-UHFFFAOYSA-N
DG57584	"1,3-Dicyclohexyl-1,3-diazetidine-2,4-dione"	391641	"NSC691127; 1,3-Dicyclohexyl-1,3-diazetidine-2,4-dione; NCIChal_000037; CHEMBL1994818; SCHEMBL14045645; ZINC1652611; CCG-36209; NSC-691127; NCI60_032720"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691127	.	.	.	.	250.34	C14H22N2O2	40.6	294	3.2	18	0	2	2	"InChI=1S/C14H22N2O2/c17-13-15(11-7-3-1-4-8-11)14(18)16(13)12-9-5-2-6-10-12/h11-12H,1-10H2"	C1CCC(CC1)N2C(=O)N(C2=O)C3CCCCC3	NUQKAOMFMVTQIT-UHFFFAOYSA-N
DG57585	5-Amino-2-(benzylsulfanylmethyl)oxazole-4-carbonitrile	391649	"NSC691193; CHEMBL1989688; NSC-691193; NCI60_032727; 5-amino-2-(benzylsulfanylmethyl)oxazole-4-carbonitrile; 5-Amino-2-((benzylthio)methyl)-1,3-oxazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691193	.	.	.	.	245.3	C12H11N3OS	101	285	2.6	17	1	5	4	"InChI=1S/C12H11N3OS/c13-6-10-12(14)16-11(15-10)8-17-7-9-4-2-1-3-5-9/h1-5H,7-8,14H2"	C1=CC=C(C=C1)CSCC2=NC(=C(O2)N)C#N	GBFRWDKLVJUCNQ-UHFFFAOYSA-N
DG57586	"5-Amino-2-(cyanomethyl)-1,3-oxazole-4-carbonitrile"	391651	"NSC691195; 5-Amino-2-(cyanomethyl)-1,3-oxazole-4-carbonitrile; CHEMBL1973246; NSC-691195; NCI60_032729; 5-amino-2-(cyanomethyl)oxazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691195	.	.	.	.	148.12	C6H4N4O	99.6	234	0.3	11	1	5	1	"InChI=1S/C6H4N4O/c7-2-1-5-10-4(3-8)6(9)11-5/h1,9H2"	C(C#N)C1=NC(=C(O1)N)C#N	AFJMLHQKCDXMRA-UHFFFAOYSA-N
DG57587	"3-Amino-4-(1,3-benzothiazol-2-yl)-2-(3,5-dimethoxyphenyl)-7-nitro-isoquinolin-1-one"	391657	"NSC691199; CHEMBL2007562; NSC-691199; 3-amino-4-(1,3-benzothiazol-2-yl)-2-(3,5-dimethoxyphenyl)-7-nitro-isoquinolin-1-one; NCI60_032733; 3-Amino-4-(1,3-benzothiazol-2-yl)-2-(3,5-dimethoxyphenyl)-7-(hydroxy(oxido)amino)-1(2H)-isoquinolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691199	.	.	.	.	474.5	C24H18N4O5S	152	823	4	34	1	8	4	"InChI=1S/C24H18N4O5S/c1-32-15-9-14(10-16(12-15)33-2)27-22(25)21(23-26-19-5-3-4-6-20(19)34-23)17-8-7-13(28(30)31)11-18(17)24(27)29/h3-12H,25H2,1-2H3"	COC1=CC(=CC(=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4)N)OC	XYXCBJUMSZFXAA-UHFFFAOYSA-N
DG57588	3-Amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-4-phenyl-isoquinolin-1-one	391660	NSC691202; CHEMBL1973654; 3-amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-4-phenyl-isoquinolin-1-one; NSC-691202; NCI60_032736; 3-Amino-7-(hydroxy(oxido)amino)-2-(2-(3-methoxyphenyl)ethyl)-4-phenyl-1(2H)-isoquinolinone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691202	.	.	.	.	415.4	C24H21N3O4	101	697	4	31	1	5	5	"InChI=1S/C24H21N3O4/c1-31-19-9-5-6-16(14-19)12-13-26-23(25)22(17-7-3-2-4-8-17)20-11-10-18(27(29)30)15-21(20)24(26)28/h2-11,14-15H,12-13,25H2,1H3"	COC1=CC=CC(=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)N	GOBFVUPFALHYGS-UHFFFAOYSA-N
DG57589	"3-Amino-4-(3,5-dichlorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-isoquinolin-1-one"	391661	"NSC691203; CHEMBL2005822; NSC-691203; 3-amino-4-(3,5-dichlorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-isoquinolin-1-one; NCI60_032737; 2H-Isoquinoxalin-1-one,5-dichlorophenyl)- 2-[2-(3-methoxyphenyl)ethyl]-7-nitro-; 3-Amino-4-(3,5-dichlorophenyl)-7-(hydroxy(oxido)amino)-2-(2-(3-methoxyphenyl)ethyl)-1(2H)-isoquinolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691203	.	.	.	.	484.3	C24H19Cl2N3O4	101	763	5.2	33	1	5	5	"InChI=1S/C24H19Cl2N3O4/c1-33-19-4-2-3-14(9-19)7-8-28-23(27)22(15-10-16(25)12-17(26)11-15)20-6-5-18(29(31)32)13-21(20)24(28)30/h2-6,9-13H,7-8,27H2,1H3"	COC1=CC=CC(=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC(=CC(=C4)Cl)Cl)N	OVJCLVWMKFHIHM-UHFFFAOYSA-N
DG57590	"3-Amino-2-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)-7-nitro-isoquinolin-1-one"	391663	"NSC691205; CHEMBL2000471; NSC-691205; NCI60_032739; 3-amino-2-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)-7-nitro-isoquinolin-1-one; 1(2H)-Isoquinolinone, 3-amino-2-(3,5-dimethoxyphenyl)-4-(1-methyl-1H-benzimidazol-2-yl)-7-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691205	.	.	.	.	471.5	C25H21N5O5	128	850	3.1	35	1	7	4	"InChI=1S/C25H21N5O5/c1-28-21-7-5-4-6-20(21)27-24(28)22-18-9-8-14(30(32)33)12-19(18)25(31)29(23(22)26)15-10-16(34-2)13-17(11-15)35-3/h4-13H,26H2,1-3H3"	CN1C2=CC=CC=C2N=C1C3=C(N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])C5=CC(=CC(=C5)OC)OC)N	TWQFVWAXIUGJAB-UHFFFAOYSA-N
DG57591	3-Amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxo-isoquinoline-4-carbonitrile	391664	"NSC691206; CHEMBL1983223; NSC-691206; 3-amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxo-isoquinoline-4-carbonitrile; NCI60_032740; 3-Amino-7-(hydroxy(oxido)amino)-2-(2-(3-methoxyphenyl)ethyl)-1-oxo-1,2-dihydro-4-isoquinolinecarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691206	.	.	.	.	364.4	C19H16N4O4	125	677	2.8	27	1	6	4	"InChI=1S/C19H16N4O4/c1-27-14-4-2-3-12(9-14)7-8-22-18(21)17(11-20)15-6-5-13(23(25)26)10-16(15)19(22)24/h2-6,9-10H,7-8,21H2,1H3"	COC1=CC=CC(=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N	DIFCRXZPRJSBTM-UHFFFAOYSA-N
DG57592	3-(3-Amino-4-cyano-7-nitro-1-oxo-2-isoquinolyl)benzoic acid	391667	NSC691209; CHEMBL1977779; 3-(3-amino-4-cyano-7-nitro-1-oxo-2-isoquinolyl)benzoic acid; NSC-691209; NCI60_032743; 3-(3-Amino-4-cyano-7-(hydroxy(oxido)amino)-1-oxo-2(1H)-isoquinolinyl)benzoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691209	.	.	.	.	350.28	C17H10N4O5	153	718	1.9	26	2	7	2	"InChI=1S/C17H10N4O5/c18-8-14-12-5-4-11(21(25)26)7-13(12)16(22)20(15(14)19)10-3-1-2-9(6-10)17(23)24/h1-7H,19H2,(H,23,24)"	C1=CC(=CC(=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N)C(=O)O	RPKZMVGIMOHHOB-UHFFFAOYSA-N
DG57593	"9-Nitro-11-oxo-[1,3]benzothiazolo[3,2-b]isoquinoline-6-carbonitrile"	391668	"NSC691210; Oprea1_399088; CHEMBL1980616; ZINC1652636; 9-nitro-11-oxo-[1,3]benzothiazolo[3,2-b]isoquinoline-6-carbonitrile; AKOS034455061; MCULE-4055688555; NSC-691210; NCI60_032744; Z56789810; 9-(Hydroxy(oxido)amino)-11-oxo-11H-[1,3]benzothiazolo[3,2-b]isoquinoline-6-carbonitrile; 128505-82-8; 6-nitro-9-oxo-17-thia-10-azatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-2-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691210	.	.	.	.	321.3	C16H7N3O3S	115	647	2.7	23	0	5	0	InChI=1S/C16H7N3O3S/c17-8-12-10-6-5-9(19(21)22)7-11(10)15(20)18-13-3-1-2-4-14(13)23-16(12)18/h1-7H	C1=CC=C2C(=C1)N3C(=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C#N)S2	SCGDLBXJDMTNLP-UHFFFAOYSA-N
DG57594	"9-nitro-11-oxo-2-(trifluoromethyl)-5H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile"	391669	"NSC691211; CHEMBL2003582; NSC-691211; 9-nitro-11-oxo-2-(trifluoromethyl)-5H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile; NCI60_032745; 9-(Hydroxy(oxido)amino)-11-oxo-2-(trifluoromethyl)-5,11-dihydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691211	.	.	.	.	372.26	C17H7F3N4O3	102	766	3.1	27	1	8	0	"InChI=1S/C17H7F3N4O3/c18-17(19,20)8-1-4-13-14(5-8)23-15(22-13)12(7-21)10-3-2-9(24(26)27)6-11(10)16(23)25/h1-6,22H"	C1=CC2=C(C=C1C(F)(F)F)N3C(=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C#N)N2	HEJZOCHMLCBRJM-UHFFFAOYSA-N
DG57595	"5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carbonitrile"	391671	"NSC691213; Maybridge1_006997; Oprea1_274807; 5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carbonitrile; CHEMBL1987080; SCHEMBL23160974; HMS561G01; ZINC86631; AKOS024322702; CCG-244480; MCULE-6161945776; NSC-691213; NCI60_032747; Benzimidazo[1,2-a]quinoline-6-carbonitrile, 5,7-dihydro-5-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691213	.	.	.	.	259.26	C16H9N3O	56.1	529	3	20	1	4	0	"InChI=1S/C16H9N3O/c17-9-11-15(20)10-5-1-3-7-13(10)19-14-8-4-2-6-12(14)18-16(11)19/h1-8,18H"	C1=CC=C2C(=C1)C(=O)C(=C3N2C4=CC=CC=C4N3)C#N	MFUDWLYZGFUXJX-UHFFFAOYSA-N
DG57596	"7-Methyl-5-oxo-benzimidazolo[1,2-a]quinoline-6-carbonitrile"	391673	"NSC691215; 88172-38-7; CHEMBL1981909; DTXSID60327826; ZINC1652639; AKOS024367596; Benzimidazo[1,2-a]quinoline-6-carbonitrile, 5,7-dihydro-7-methyl-5-oxo-; MCULE-5046121560; NSC-691215; NCI60_032749; Z734296158; 7-methyl-5-oxo-benzimidazolo[1,2-a]quinoline-6-carbonitrile; 11-methyl-8-oxo-1,11-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,9,12(17),13,15-heptaene-9-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691215	.	.	.	.	273.29	C17H11N3O	47.3	558	3.2	21	0	4	0	"InChI=1S/C17H11N3O/c1-19-14-8-4-5-9-15(14)20-13-7-3-2-6-11(13)16(21)12(10-18)17(19)20/h2-9H,1H3"	CN1C2=CC=CC=C2N3C1=C(C(=O)C4=CC=CC=C43)C#N	XRQNYPHNZPECFW-UHFFFAOYSA-N
DG57597	"3-nitro-5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carbonitrile"	391674	"NSC691216; CHEMBL2000643; 3-nitro-5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carbonitrile; NSC-691216; NCI60_032750; 3-Nitro-5-oxo-5,7-dihydro-benzo[4,5]imidazo[1,2-a]quinoline-6-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691216	.	.	.	.	304.26	C16H8N4O3	102	643	2.8	23	1	6	0	"InChI=1S/C16H8N4O3/c17-8-11-15(21)10-7-9(20(22)23)5-6-13(10)19-14-4-2-1-3-12(14)18-16(11)19/h1-7,18H"	C1=CC=C2C(=C1)NC3=C(C(=O)C4=C(N23)C=CC(=C4)[N+](=O)[O-])C#N	MLEQRFGZOBZSCD-UHFFFAOYSA-N
DG57598	"5-Chlorobenzimidazolo[1,2-a]quinoline-6-carbonitrile"	391676	"NSC691218; Oprea1_760353; 5-chlorobenzimidazolo[1,2-a]quinoline-6-carbonitrile; CHEMBL1983840; SCHEMBL23160975; ZINC12633061; AKOS024367579; MCULE-9698940223; NSC-691218; NCI60_032752; Benzimidazo[1,2-a]quinoline-6-carbonitrile, 5-chloro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691218	.	.	.	.	277.71	C16H8ClN3	41.1	431	4.9	20	0	2	0	InChI=1S/C16H8ClN3/c17-15-10-5-1-3-7-13(10)20-14-8-4-2-6-12(14)19-16(20)11(15)9-18/h1-8H	C1=CC=C2C(=C1)C(=C(C3=NC4=CC=CC=C4N23)C#N)Cl	DGLPNHDYUHQAND-UHFFFAOYSA-N
DG57599	"5-[2-(3-Methoxyphenyl)ethylamino]benzimidazolo[1,2-a]quinoline-6-carbonitrile"	391677	"NSC691219; Neuro_000456; CHEMBL1980415; 5-[2-(3-methoxyphenyl)ethylamino]benzimidazolo[1,2-a]quinoline-6-carbonitrile; NSC-691219; NCI60_032753; Benzimidazo[1,2-a]quinoline-6-carbonitrile, 5-[[2-(3-methoxyphenyl)ethyl]amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691219	.	.	.	.	392.5	C25H20N4O	62.4	632	6.7	30	1	4	5	"InChI=1S/C25H20N4O/c1-30-18-8-6-7-17(15-18)13-14-27-24-19-9-2-4-11-22(19)29-23-12-5-3-10-21(23)28-25(29)20(24)16-26/h2-12,15,27H,13-14H2,1H3"	COC1=CC=CC(=C1)CCNC2=C(C3=NC4=CC=CC=C4N3C5=CC=CC=C52)C#N	NRZNDDWCPDWYAN-UHFFFAOYSA-N
DG57600	"5-[2-(4-Fluorophenyl)ethylamino]benzimidazolo[1,2-a]quinoline-6-carbonitrile"	391678	"NSC691220; CHEMBL1975640; 5-[2-(4-fluorophenyl)ethylamino]benzimidazolo[1,2-a]quinoline-6-carbonitrile; NSC-691220; NCI60_032754; 5-((2-(4-Fluorophenyl)ethyl)amino)benzimidazo[1,2-a]quinoline-6-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691220	.	.	.	.	380.4	C24H17FN4	53.1	609	6.8	29	1	4	4	"InChI=1S/C24H17FN4/c25-17-11-9-16(10-12-17)13-14-27-23-18-5-1-3-7-21(18)29-22-8-4-2-6-20(22)28-24(29)19(23)15-26/h1-12,27H,13-14H2"	C1=CC=C2C(=C1)C(=C(C3=NC4=CC=CC=C4N23)C#N)NCCC5=CC=C(C=C5)F	YZXQLOGTUGLDBN-UHFFFAOYSA-N
DG57601	"5-Chlorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile"	391679	"NSC691221; CHEMBL2001411; SCHEMBL18057409; 5-chlorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile; NSC-691221; NCI60_032755; Benzimidazo[1,8]naphthyridine-6-carbonitrile, 5-chloro-; Benzimidazo[1,2-a][1,8]naphthyridine-6-carbonitrile, 5-chloro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691221	.	.	.	.	278.69	C15H7ClN4	54	433	4.1	20	0	3	0	InChI=1S/C15H7ClN4/c16-13-9-4-3-7-18-14(9)20-12-6-2-1-5-11(12)19-15(20)10(13)8-17/h1-7H	C1=CC=C2C(=C1)N=C3N2C4=C(C=CC=N4)C(=C3C#N)Cl	QJDWMTFGWKXMHT-UHFFFAOYSA-N
DG57602	5-Guanidino-2-[4-(4-imino-2-oxo-pyrimidin-1-yl)butoxycarbonylamino]pentanoic acid	391680	"NSC691222; CHEMBL1991868; NSC-691222; NCI60_032756; 5-guanidino-2-[4-(4-imino-2-oxo-pyrimidin-1-yl)butoxycarbonylamino]pentanoic acid; N~5~-(Amino(imino)methyl)-N~2~-((4-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)butoxy)carbonyl)ornithine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691222	.	.	.	.	383.4	C15H25N7O5	199	628	-1.9	27	5	6	12	"InChI=1S/C15H25N7O5/c16-11-5-8-22(14(25)21-11)7-1-2-9-27-15(26)20-10(12(23)24)4-3-6-19-13(17)18/h5,8,10H,1-4,6-7,9H2,(H,20,26)(H,23,24)(H2,16,21,25)(H4,17,18,19)"	C1=CN(C(=O)N=C1N)CCCCOC(=O)NC(CCCN=C(N)N)C(=O)O	GHBFOTASJAWXOK-UHFFFAOYSA-N
DG57603	"5-Guanidino-2-[5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)pentoxycarbonylamino]pentanoic acid"	391685	"NSC691227; CHEMBL2005829; NSC-691227; NCI60_032761; 5-guanidino-2-[5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)pentoxycarbonylamino]pentanoic acid; N~5~-(Amino(imino)methyl)-N~2~-(((5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)pentyl)oxy)carbonyl)ornithine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691227	.	.	.	.	412.4	C17H28N6O6	189	673	-0.8	29	5	7	13	"InChI=1S/C17H28N6O6/c1-11-10-23(16(27)22-13(11)24)8-3-2-4-9-29-17(28)21-12(14(25)26)6-5-7-20-15(18)19/h10,12H,2-9H2,1H3,(H,21,28)(H,25,26)(H4,18,19,20)(H,22,24,27)"	CC1=CN(C(=O)NC1=O)CCCCCOC(=O)NC(CCCN=C(N)N)C(=O)O	LFNKORXZTAWKHD-UHFFFAOYSA-N
DG57604	"[1-(chloromethyl)-5-(dimethylamino)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone"	391697	"NSC691242; CHEMBL36395; SCHEMBL8107153; NSC-691242; [1-(chloromethyl)-5-(dimethylamino)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone; NCI60_032772; 1-(Chloromethyl)-N,N-dimethyl-3-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-2,3-dihydro-1H-benzo[e]indol-5-amine; N-(1-(Chloromethyl)-3-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-2,3-dihydro-1H-benzo[e]indol-5-yl)-N,N-dimethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691242	.	.	.	.	494	C27H28ClN3O4	67	756	5.1	35	1	5	6	"InChI=1S/C27H28ClN3O4/c1-30(2)20-12-21-23(18-9-7-6-8-17(18)20)16(13-28)14-31(21)27(32)19-10-15-11-22(33-3)25(34-4)26(35-5)24(15)29-19/h6-12,16,29H,13-14H2,1-5H3"	CN(C)C1=CC2=C(C(CN2C(=O)C3=CC4=CC(=C(C(=C4N3)OC)OC)OC)CCl)C5=CC=CC=C51	JYLCAMDFFFVDAY-UHFFFAOYSA-N
DG57605	"[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone"	391699	"NSC691244; CHEMBL37576; SCHEMBL6205630; NSC-691244; [1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone; NCI60_032774; 1-(Chloromethyl)-5-(hydroxy(oxido)amino)-3-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-2,3-dihydro-1H-benzo[e]indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691244	.	.	.	.	495.9	C25H22ClN3O6	110	798	4.8	35	1	6	5	"InChI=1S/C25H22ClN3O6/c1-33-20-9-13-8-17(27-22(13)24(35-3)23(20)34-2)25(30)28-12-14(11-26)21-16-7-5-4-6-15(16)18(29(31)32)10-19(21)28/h4-10,14,27H,11-12H2,1-3H3"	COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)[N+](=O)[O-])CCl)OC)OC	HVXXVNCXGUXSCQ-UHFFFAOYSA-N
DG57606	2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(3-nitrothiophen-2-yl)methyl]azanium;chloride	391705	NSC691249; SCHEMBL7044738; CHEMBL1976441; NSC-691249	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691249	.	.	.	.	500	C24H26ClN5O3S	142	717	.	34	2	7	6	"InChI=1S/C24H25N5O3S.ClH/c1-15-6-4-7-16-21(25)17-8-5-9-18(23(17)27-22(15)16)24(30)26-11-12-29(2,3)14-20-19(28(31)32)10-13-33-20;/h4-10,13H,11-12,14H2,1-3H3,(H2-,25,26,27,30);1H"	CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)CC4=C(C=CS4)[N+](=O)[O-])N.[Cl-]	KKJUIDSKPAIKHA-UHFFFAOYSA-N
DG57607	2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(1-methyl-5-nitropyrrol-2-yl)methyl]azanium;chloride	391707	NSC691250; CHEMBL1969558; NSC-691250	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691250	.	.	.	.	497	C25H29ClN6O3	119	743	.	35	2	6	6	"InChI=1S/C25H28N6O3.ClH/c1-16-7-5-8-18-22(26)19-9-6-10-20(24(19)28-23(16)18)25(32)27-13-14-31(3,4)15-17-11-12-21(29(17)2)30(33)34;/h5-12H,13-15H2,1-4H3,(H2-,26,27,28,32);1H"	CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)CC4=CC=C(N4C)[N+](=O)[O-])N.[Cl-]	DQBTVFMTCFXGDL-UHFFFAOYSA-N
DG57608	NSC691251	391709	"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(2-morpholin-4-yl-4-nitro-1,3-thiazol-5-yl)methyl]azanium;chloride; NSC691251; CHEMBL2001748; NSC-691251"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691251	.	.	.	.	586.1	C27H32ClN7O4S	167	870	.	40	2	10	7	"InChI=1S/C27H31N7O4S.ClH/c1-17-6-4-7-18-22(28)19-8-5-9-20(24(19)30-23(17)18)26(35)29-10-13-34(2,3)16-21-25(33(36)37)31-27(39-21)32-11-14-38-15-12-32;/h4-9H,10-16H2,1-3H3,(H2-,28,29,30,35);1H"	CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)CC4=C(N=C(S4)N5CCOCC5)[N+](=O)[O-])N.[Cl-]	MDHBMLKRWWUVFX-UHFFFAOYSA-N
DG57609	2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]azanium;chloride	391711	NSC691252; SCHEMBL7044705; CHEMBL1972981; NSC-691252	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691252	.	.	.	.	498	C24H28ClN7O3	132	745	.	35	2	7	6	"InChI=1S/C24H27N7O3.ClH/c1-15-7-5-8-16-20(25)17-9-6-10-18(22(17)28-21(15)16)24(32)26-11-12-31(3,4)13-19-23(30(33)34)27-14-29(19)2;/h5-10,14H,11-13H2,1-4H3,(H2-,25,26,28,32);1H"	CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)CC4=C(N=CN4C)[N+](=O)[O-])N.[Cl-]	HWPNTOPPWPSEPA-UHFFFAOYSA-N
DG57610	"7-Oxaspiro[5.9]pentadecane-1,8,13-trione"	391713	"NSC691253; 7-Oxaspiro[5.9]pentadecane-1,8,13-trione; 15-oxaspiro[5.9]pentadecane-5,9,14-trione; CHEMBL2007444; NSC-691253; NCI60_032783"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691253	.	.	.	.	252.31	C14H20O4	60.4	361	1.1	18	0	4	0	InChI=1S/C14H20O4/c15-11-5-1-2-7-13(17)18-14(10-8-11)9-4-3-6-12(14)16/h1-10H2	C1CCC(=O)OC2(CCCCC2=O)CCC(=O)C1	WKFVGAYXXLSWRG-UHFFFAOYSA-N
DG57611	2-[[(1-Methyl-1H-imidazole-2-yl)thio]difluoromethyl]benzoxazole	391718	"NSC691258; CHEMBL2006417; ZINC13218921; NSC-691258; NCI60_032788; 2-[[(1-Methyl-1H-imidazole-2-yl)thio]difluoromethyl]benzoxazole; Benzoxazole, 2-[difluoro[(1-methyl-1H-imidazol-2-yl)thio]methyl]-; 2-[difluoro-(1-methylimidazol-2-yl)sulfanyl-methyl]-1,3-benzoxazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691258	.	.	.	.	281.28	C12H9F2N3OS	69.2	334	3	19	0	6	3	"InChI=1S/C12H9F2N3OS/c1-17-7-6-15-11(17)19-12(13,14)10-16-8-4-2-3-5-9(8)18-10/h2-7H,1H3"	CN1C=CN=C1SC(C2=NC3=CC=CC=C3O2)(F)F	AHRGVPMJJOFONL-UHFFFAOYSA-N
DG57612	"N,N-Dimethyl-N'-[3-oxo-3-(methylamino)propyl]butanediamide"	391817	"NSC691404; CHEMBL2000948; NSC-691404; NCI60_032803; N',N'-dimethyl-N-[3-(methylamino)-3-oxo-propyl]butanediamide; N,N-Dimethyl-N'-[3-oxo-3-(methylamino)propyl]butanediamide; N~1~,N~1~-Dimethyl-N~4~-(3-(methylamino)-3-oxopropyl)succinamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691404	.	.	.	.	229.28	C10H19N3O3	78.5	264	-1.8	16	2	3	6	"InChI=1S/C10H19N3O3/c1-11-8(14)6-7-12-9(15)4-5-10(16)13(2)3/h4-7H2,1-3H3,(H,11,14)(H,12,15)"	CNC(=O)CCNC(=O)CCC(=O)N(C)C	ORSCCBXANBRZNV-UHFFFAOYSA-N
DG57613	"1H-Pyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-6-amine, 4,5,6-trihydro-5-imino-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-"	391832	"NSC691419; Neuro_000457; CHEMBL2006394; NSC-691419; NCI60_032818; 1H-Pyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-6-amine, 4,5,6-trihydro-5-imino-4-(3,4-dimethoxyphenyl)- 1,3-diphenyl-; 1H-Pyrazolo[4',6]pyrano[2,3-d]pyrimidin-6-amine, 4,5,6-trihydro-5-imino-4-(3,4-dimethoxyphenyl)- 1,3-diphenyl-; 4-(3,4-dimethoxyphenyl)-5-imino-1,3-diphenyl-4H-pyrazolo[[ ]:[ ]]pyrano[[ ]]pyrimidin-6-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691419	.	.	.	.	492.5	C28H24N6O3	111	898	3.9	37	2	7	5	"InChI=1S/C28H24N6O3/c1-35-20-14-13-18(15-21(20)36-2)22-23-25(17-9-5-3-6-10-17)32-34(19-11-7-4-8-12-19)28(23)37-27-24(22)26(29)33(30)16-31-27/h3-16,22,29H,30H2,1-2H3"	COC1=C(C=C(C=C1)C2C3=C(N=CN(C3=N)N)OC4=C2C(=NN4C5=CC=CC=C5)C6=CC=CC=C6)OC	TYVMABLKRAPPID-UHFFFAOYSA-N
DG57614	NSC691422	391834	"2-[16-(3,4-Dimethoxyphenyl)-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaen-4-yl]acetonitrile; NSC691421; NSC691422; CHEMBL1970608; NSC-691421; NSC-691422; NCI60_032820; NCI60_032821; 2-[(3,4-dimethoxyphenyl)-diphenyl-[ ]yl]acetonitrile; [11-(3,4-Dimethoxyphenyl)-8,10-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c] pyrimidin-2-yl]acetonitrile; Acetonitrile,4-dimethoxyphenyl)-8,10-diphenyl- 8H,11H-pyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]-triazolo [1,5-c]pyrimidin-2-yl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691422	.	.	.	.	541.6	C31H23N7O3	112	936	5	41	0	8	6	"InChI=1S/C31H23N7O3/c1-39-22-14-13-20(17-23(22)40-2)25-26-28(19-9-5-3-6-10-19)36-38(21-11-7-4-8-12-21)31(26)41-30-27(25)29-34-24(15-16-32)35-37(29)18-33-30/h3-14,17-18,25H,15H2,1-2H3"	COC1=C(C=C(C=C1)C2C3=C(N=CN4C3=NC(=N4)CC#N)OC5=C2C(=NN5C6=CC=CC=C6)C7=CC=CC=C7)OC	GQVFHGHBYJONTM-UHFFFAOYSA-N
DG57615	NSC691424	391836	"Ethyl 16-(3,4-dimethoxyphenyl)-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene-4-carboxylate; NSC691424; CHEMBL1989217; NSC-691424; NCI60_032823"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691424	.	.	.	.	574.6	C32H26N6O5	115	949	5.9	43	0	9	8	"InChI=1S/C32H26N6O5/c1-4-42-32(39)28-34-29-26-24(20-15-16-22(40-2)23(17-20)41-3)25-27(19-11-7-5-8-12-19)35-38(21-13-9-6-10-14-21)31(25)43-30(26)33-18-37(29)36-28/h5-18,24H,4H2,1-3H3"	CCOC(=O)C1=NN2C=NC3=C(C2=N1)C(C4=C(O3)N(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC(=C(C=C7)OC)OC	SALXCIKFZLQXAQ-UHFFFAOYSA-N
DG57616	"Diethyl 2-((4-(4-(2,4-diamino-6-methyl-5-pyrimidinyl)-1-piperazinyl)benzoyl)amino)pentanedioate"	391856	"NSC691519; CHEMBL1999171; NSC-691519; NCI60_032831; Diethyl 2-((4-(4-(2,4-diamino-6-methyl-5-pyrimidinyl)-1-piperazinyl)benzoyl)amino)pentanedioate; diethyl 2-[[4-[4-(2,4-diamino-6-methyl-pyrimidin-5-yl)piperazin-1-yl]benzoyl]amino]pentanedioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691519	.	.	.	.	513.6	C25H35N7O5	166	756	1.8	37	3	11	12	"InChI=1S/C25H35N7O5/c1-4-36-20(33)11-10-19(24(35)37-5-2)29-23(34)17-6-8-18(9-7-17)31-12-14-32(15-13-31)21-16(3)28-25(27)30-22(21)26/h6-9,19H,4-5,10-15H2,1-3H3,(H,29,34)(H4,26,27,28,30)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(N=C(N=C3N)N)C	WVSLQHBCGPJMOC-UHFFFAOYSA-N
DG57617	"5-(4-Benzyl-1-piperazinyl)-6-methyl-2,4-pyrimidinediamine"	391857	"NSC691520; CHEMBL1987676; SCHEMBL10648072; NSC-691520; NCI60_032832; 5-(4-Benzyl-1-piperazinyl)-6-methyl-2,4-pyrimidinediamine; 5-(4-benzylpiperazin-1-yl)-6-methyl-pyrimidine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691520	.	.	.	.	298.39	C16H22N6	84.3	338	1.3	22	2	6	3	"InChI=1S/C16H22N6/c1-12-14(15(17)20-16(18)19-12)22-9-7-21(8-10-22)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H4,17,18,19,20)"	CC1=C(C(=NC(=N1)N)N)N2CCN(CC2)CC3=CC=CC=C3	RWPZCMBDWDFQQK-UHFFFAOYSA-N
DG57618	2-(4-Aminophenyl)-6-methoxybenzothiazole	391870	"6-MEO-BTA-0; 43036-17-5; 2-(4-Aminophenyl)-6-methoxybenzothiazole; CHEMBL92390; 4-(6-methoxy-1,3-benzothiazol-2-yl)aniline; 4-(6-Methoxy-benzothiazol-2-yl)-phenylamine; NSC691533; SCHEMBL1977100; ZINC1652792; BDBM50052701; MFCD08061476; AKOS017558505; 4-(6-Methoxybenzothiazol-2-yl)aniline; NSC-691533; 6-Methoxy-2-(4-aminophenyl)benzothiazole; NCI60_032845; 4-(6-Methoxybenzo[d]thiazol-2-yl)aniline; 2-(4'-Aminophenyl)-6-methoxybenzothiazole; 2-(4-aminophenyl)-6-methoxybenzo thiazole; 4-(6-methoxybenzothiazol-2-yl)-phenylamine; 2-(4'-aminophenyl)-6-methoxy benzothiazole; Benzenamine,4-(6-methoxy-2-benzothiazolyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691533	.	.	.	.	256.32	C14H12N2OS	76.4	281	3.6	18	1	4	2	"InChI=1S/C14H12N2OS/c1-17-11-6-7-12-13(8-11)18-14(16-12)9-2-4-10(15)5-3-9/h2-8H,15H2,1H3"	COC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N	KLRFVKNLVPQVIN-UHFFFAOYSA-N
DG57619	2-Iodo-4-(6-methylbenzothiazol-2-yl)aniline	391871	NSC691534; SCHEMBL7104765; CHEMBL1987876; NSC-691534; NCI60_032846; 2-Iodo-4-(6-methylbenzothiazol-2-yl)aniline; 2-(4'-amino-3'-iodophenyl)-6-methylbenzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691534	.	.	.	.	366.22	C14H11IN2S	67.2	302	4.4	18	1	3	1	"InChI=1S/C14H11IN2S/c1-8-2-5-12-13(6-8)18-14(17-12)9-3-4-11(16)10(15)7-9/h2-7H,16H2,1H3"	CC1=CC2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)N)I	HHKCYVZNMDYRMQ-UHFFFAOYSA-N
DG57620	"2,6-Dibromo-4-(benzothiazol-2-yl)aniline"	391872	"NSC691535; SCHEMBL7104870; CHEMBL1968717; ZINC1652794; AKOS000108535; NSC-691535; NCI60_032847; 2,6-Dibromo-4-(benzothiazol-2-yl)aniline; BB 0245173; 4-Benzothiazol-2-yl-2,6-dibromo-phenylamin e"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691535	.	.	.	.	384.09	C13H8Br2N2S	67.2	293	5	18	1	3	1	"InChI=1S/C13H8Br2N2S/c14-8-5-7(6-9(15)12(8)16)13-17-10-3-1-2-4-11(10)18-13/h1-6H,16H2"	C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C(=C3)Br)N)Br	VMSOXDDOLAQINC-UHFFFAOYSA-N
DG57621	"4-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline"	391873	"NSC691536; 4-(1,3-benzothiazol-2-yl)-2,6-dichloroaniline; CHEMBL1993740; ZINC1652795; ARK100995; AKOS005061286; NSC-691536; NCI60_032848; 2,6-Dichloro-4-(benzothiazol-2-yl)aniline; [4-(1,3-benzothiazol-2-yl)-2,6-dichlorophenyl]amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691536	.	.	.	.	295.2	C13H8Cl2N2S	67.2	293	4.8	18	1	3	1	"InChI=1S/C13H8Cl2N2S/c14-8-5-7(6-9(15)12(8)16)13-17-10-3-1-2-4-11(10)18-13/h1-6H,16H2"	C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C(=C3)Cl)N)Cl	JGBRZSNXLUIGLP-UHFFFAOYSA-N
DG57622	"2-Amino-4-(3,4-dimethoxyphenyl)-10-methyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile"	391881	"NSC691562; CHEMBL1968693; NSC-691562; 2-amino-4-(3,4-dimethoxyphenyl)-10-methyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile; NCI60_032855; [1]Benzothiepino[4, 2-amino-4-(3,4-dimethoxyphenyl)-5,6-dihydro-10-methyl-; [1]Benzothiepino[4,5-c]pyridine-1-carbonitrile, 2-amino-4-(3,4-dimethoxyphenyl)-5,6-dihydro-10-methyl-; 2-Amino-5,6-dihydro-4-(3,4-dimethoxyphenyl)-10-methyl-7-thia-3-aza-7H-dibenzo[a,c]cycloheptene-1-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691562	.	.	.	.	403.5	C23H21N3O2S	107	610	4.9	29	1	6	3	"InChI=1S/C23H21N3O2S/c1-13-4-7-20-16(10-13)21-15(8-9-29-20)22(26-23(25)17(21)12-24)14-5-6-18(27-2)19(11-14)28-3/h4-7,10-11H,8-9H2,1-3H3,(H2,25,26)"	CC1=CC2=C(C=C1)SCCC3=C2C(=C(N=C3C4=CC(=C(C=C4)OC)OC)N)C#N	DBDLXFVQIGKEFV-UHFFFAOYSA-N
DG57623	"2-Amino-10-methyl-7,7-dioxo-4-phenyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile"	391895	"NSC691576; CHEMBL1966658; ZINC31895429; NSC-691576; 2-amino-10-methyl-7,7-dioxo-4-phenyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile; NCI60_032869; [1]Benzothiepino[4,5-c]pyridine-1-carbonitrile, 2-amino-5,6-dihydro-10-methyl-4-phenyl-, 7,7-dioxide; 2-Amino-1-cyano-5,6-dihydro-4-phenyl-10-methyl-7-thia-3-aza-7H-dibenzo[a,c]cycloheptene 7,7-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691576	.	.	.	.	375.4	C21H17N3O2S	105	688	3.7	27	1	5	1	"InChI=1S/C21H17N3O2S/c1-13-7-8-18-16(11-13)19-15(9-10-27(18,25)26)20(14-5-3-2-4-6-14)24-21(23)17(19)12-22/h2-8,11H,9-10H2,1H3,(H2,23,24)"	CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C2C(=C(N=C3C4=CC=CC=C4)N)C#N	UTZXAYUGRFUTPT-UHFFFAOYSA-N
DG57624	"2-Amino-4-(3-methoxyphenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile"	391896	"NSC691577; CHEMBL2007516; ZINC31895435; NSC-691577; 2-amino-4-(3-methoxyphenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile; NCI60_032870; [1]Benzothiepino[4,5-c]pyridine-1-carbonitrile, 2-amino-5,6-dihydro-4-(3-methoxyphenyl)-10-methyl-, 7,7-dioxide; 2-Amino-1-cyano-5,6-dihydro-4-(3-methoxyphenyl)-10-methyl-7-thia-3-aza-7H-dibenzo[a,c]cycloheptene 7,7-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691577	.	.	.	.	405.5	C22H19N3O3S	114	742	3.7	29	1	6	2	"InChI=1S/C22H19N3O3S/c1-13-6-7-19-17(10-13)20-16(8-9-29(19,26)27)21(25-22(24)18(20)12-23)14-4-3-5-15(11-14)28-2/h3-7,10-11H,8-9H2,1-2H3,(H2,24,25)"	CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C2C(=C(N=C3C4=CC(=CC=C4)OC)N)C#N	HFFQBKPMGSAMCX-UHFFFAOYSA-N
DG57625	"2-Amino-4-(4-chlorophenyl)-10-methyl-5,6-dihydro[1]benzothiepino[4,5-c]pyridine-1-carbonitrile 7,7-dioxide"	391897	"NSC691578; CHEMBL1975917; NSC-691578; 2-Amino-4-(4-chlorophenyl)-10-methyl-5,6-dihydro[1]benzothiepino[4,5-c]pyridine-1-carbonitrile 7,7-dioxide; 2-amino-4-(4-chlorophenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile; NCI60_032871; 2-Amino-1-cyano-5,6-dihydro-4-(4-chlorophenyl)-10-methyl-7-thia-3-aza-7H-dibenzo[a,c]cycloheptene 7,7-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691578	.	.	.	.	409.9	C21H16ClN3O2S	105	722	4.3	28	1	5	1	"InChI=1S/C21H16ClN3O2S/c1-12-2-7-18-16(10-12)19-15(8-9-28(18,26)27)20(25-21(24)17(19)11-23)13-3-5-14(22)6-4-13/h2-7,10H,8-9H2,1H3,(H2,24,25)"	CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C2C(=C(N=C3C4=CC=C(C=C4)Cl)N)C#N	ICFPVRKMJQKYNY-UHFFFAOYSA-N
DG57626	"2-Amino-4-(3,4-dimethoxyphenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile"	391898	"NSC691579; CHEMBL2002209; ZINC31895443; NSC-691579; 2-amino-4-(3,4-dimethoxyphenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile; NCI60_032872; [1]Benzothiepino[4,5-c]pyridine-1-carbonitrile, 2-amino-4-(3,4-dimethoxyphenyl)-5,6-dihydro-10-methyl-, 7,7-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691579	.	.	.	.	435.5	C23H21N3O4S	124	790	3.6	31	1	7	3	"InChI=1S/C23H21N3O4S/c1-13-4-7-20-16(10-13)21-15(8-9-31(20,27)28)22(26-23(25)17(21)12-24)14-5-6-18(29-2)19(11-14)30-3/h4-7,10-11H,8-9H2,1-3H3,(H2,25,26)"	CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C2C(=C(N=C3C4=CC(=C(C=C4)OC)OC)N)C#N	WQDCLENFFBYQPF-UHFFFAOYSA-N
DG57627	"2-Amino-10-methyl-7,7-dioxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile"	391899	"NSC691580; CHEMBL1992289; ZINC31895448; NSC-691580; 2-amino-10-methyl-7,7-dioxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile; NCI60_032873; [1]Benzothiepino[4,5-c]pyridine-1-carbonitrile, 2-amino-5,6-dihydro-10-methyl-4-(3,4,5-trimethoxyphenyl)-, 7,7-dioxide; 2-Amino-1-cyano-5,6-dihydro-4-(3,4,5-trimethoxyphenyl)-10-methyl-7-thia-3-aza-7H-dibenzo[a,c]cycloheptene 7,7-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691580	.	.	.	.	465.5	C24H23N3O5S	133	825	3.6	33	1	8	4	"InChI=1S/C24H23N3O5S/c1-13-5-6-20-16(9-13)21-15(7-8-33(20,28)29)22(27-24(26)17(21)12-25)14-10-18(30-2)23(32-4)19(11-14)31-3/h5-6,9-11H,7-8H2,1-4H3,(H2,26,27)"	CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C2C(=C(N=C3C4=CC(=C(C(=C4)OC)OC)OC)N)C#N	HKZFUXJJZSKDNY-UHFFFAOYSA-N
DG57628	"10-Methyl-7H,9H,13H-naphtho[1,8-de][1,2,4]triazolo[1,2-a][1,2]diazepine-9,11(10H)-dione"	391902	"NSC691583; CHEMBL1984652; ZINC1652826; NSC-691583; 10-Methyl-7H,9H,13H-naphtho[1,8-de][1,2,4]triazolo[1,2-a][1,2]diazepine-9,11(10H)-dione; NCI60_032876"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691583	.	.	.	.	267.28	C15H13N3O2	43.9	414	1.8	20	0	2	0	"InChI=1S/C15H13N3O2/c1-16-14(19)17-8-11-6-2-4-10-5-3-7-12(13(10)11)9-18(17)15(16)20/h2-7H,8-9H2,1H3"	CN1C(=O)N2CC3=CC=CC4=C3C(=CC=C4)CN2C1=O	GCSLXTPCACGULY-UHFFFAOYSA-N
DG57629	"1-(4-Methoxyphenyl)-4-methyl-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione"	391906	"NSC691587; CHEMBL1996333; NSC-691587; 1-(4-Methoxyphenyl)-4-methyl-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione; NCI60_032880"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691587	.	.	.	.	367.4	C21H25N3O3	53.1	559	4.4	27	0	3	3	"InChI=1S/C21H25N3O3/c1-12-13(2)15(4)19(16(5)14(12)3)24-21(26)22(6)20(25)23(24)17-8-10-18(27-7)11-9-17/h8-11H,1-7H3"	CC1=C(C(=C(C(=C1C)C)N2C(=O)N(C(=O)N2C3=CC=C(C=C3)OC)C)C)C	WQMQKRHQGOKJGE-UHFFFAOYSA-N
DG57630	"3-tert-Butyl-6,7-diphenyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione"	391908	"NSC691589; 3-tert-Butyl-6,7-diphenyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione; CHEMBL1980365; ZINC1652832; NSC-691589; NCI60_032882"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691589	.	.	.	.	333.4	C20H19N3O2	47.2	502	3.5	25	0	2	3	"InChI=1S/C20H19N3O2/c1-20(2,3)21-18(24)22-16(14-10-6-4-7-11-14)17(23(22)19(21)25)15-12-8-5-9-13-15/h4-13H,1-3H3"	CC(C)(C)N1C(=O)N2C(=C(N2C1=O)C3=CC=CC=C3)C4=CC=CC=C4	VKDMQCYSUSEUBN-UHFFFAOYSA-N
DG57631	"1-tert-Butyl-2-(2-methoxyphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione"	391919	"NSC691599; 1-tert-Butyl-2-(2-methoxyphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione; CHEMBL1998168; NSC-691599; NCI60_032892"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691599	.	.	.	.	277.32	C14H19N3O3	53.1	405	2	20	0	3	3	"InChI=1S/C14H19N3O3/c1-14(2,3)17-13(19)15(4)12(18)16(17)10-8-6-7-9-11(10)20-5/h6-9H,1-5H3"	CC(C)(C)N1C(=O)N(C(=O)N1C2=CC=CC=C2OC)C	YDKLLNOIEBMMEB-UHFFFAOYSA-N
DG57632	NSC691603	391923	"4-Methyl-1-[4-methyl-3,5-dioxo-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidin-1-yl]-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione; NSC691603; CHEMBL1993641; ZINC1652846; NSC-691603; 4-methyl-1-[4-methyl-3,5-dioxo-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidin-1-yl]-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione; NCI60_032896; [1,1'-Bi-1,2,4-triazolidine]-3,3',5,5'-tetrone, 4,4'-dimethyl-2,2'-bis(pentamethylphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691603	.	.	.	.	520.6	C28H36N6O4	87.7	896	5.7	38	0	4	2	InChI=1S/C28H36N6O4/c1-13-15(3)19(7)23(20(8)16(13)4)31-25(35)29(11)27(37)33(31)34-28(38)30(12)26(36)32(34)24-21(9)17(5)14(2)18(6)22(24)10/h1-12H3	CC1=C(C(=C(C(=C1C)C)N2C(=O)N(C(=O)N2N3C(=O)N(C(=O)N3C4=C(C(=C(C(=C4C)C)C)C)C)C)C)C)C	JBBSSXMIDKEWFY-UHFFFAOYSA-N
DG57633	"5-Tert-butyl-3,5,7-triazatetracyclo[7.7.1.03,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaene-4,6-dione"	391924	NSC691604; CHEMBL1967346; NSC-691604; NCI60_032897	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691604	.	.	.	.	309.4	C18H19N3O2	43.9	489	2.8	23	0	2	1	"InChI=1S/C18H19N3O2/c1-18(2,3)21-16(22)19-10-13-8-4-6-12-7-5-9-14(15(12)13)11-20(19)17(21)23/h4-9H,10-11H2,1-3H3"	CC(C)(C)N1C(=O)N2CC3=CC=CC4=C3C(=CC=C4)CN2C1=O	MKDKENCGNNFLNB-UHFFFAOYSA-N
DG57634	"Diaziridinone, bis(1,1-dimethyl-2-phenylethyl)-"	391928	"NSC691608; 19694-14-5; Bis(1,1-dimethyl-2-phenylethyl)diaziridin-3-one; 1,2-bis(2-methyl-1-phenylpropan-2-yl)diaziridin-3-one; Diaziridinone, bis(1,1-dimethyl-2-phenylethyl)-; CHEMBL1989148; Diaziridinone, bis(.alpha.,.alpha.-dimethylphenethyl)-; DTXSID20327827; NSC-691608; NCI60_032901; 1,2-Bis(1,1-dimethyl-2-phenylethyl)-3-diaziridinone; 1,2-bis(1,1-dimethyl-2-phenyl-ethyl)diaziridin-3-one; 1,2-Bis(1,1-dimethyl-2-phenylethyl)-3-diaziridinone #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691608	.	.	.	.	322.4	C21H26N2O	23.1	405	4.8	24	0	1	6	"InChI=1S/C21H26N2O/c1-20(2,15-17-11-7-5-8-12-17)22-19(24)23(22)21(3,4)16-18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3"	CC(C)(CC1=CC=CC=C1)N2C(=O)N2C(C)(C)CC3=CC=CC=C3	ZKQWBEDDJGVEDB-UHFFFAOYSA-N
DG57635	2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(4-methylsulfonylphenyl)methyl]azanium;chloride	391966	NSC691656; CHEMBL1969504; NSC-691656	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691656	.	.	.	.	527.1	C27H31ClN4O3S	111	834	.	36	2	6	7	"InChI=1S/C27H30N4O3S.ClH/c1-18-7-5-8-21-24(28)22-9-6-10-23(26(22)30-25(18)21)27(32)29-15-16-31(2,3)17-19-11-13-20(14-12-19)35(4,33)34;/h5-14H,15-17H2,1-4H3,(H2-,28,29,30,32);1H"	CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)CC4=CC=C(C=C4)S(=O)(=O)C)N.[Cl-]	MYVATADSXHXAFV-UHFFFAOYSA-N
DG57636	NSC691698	391976	"N'-[5-[[4-[[5-(Acetylhydroxyamino)pentyl]amino]-1,4-dioxobutyl]hydroxyamino]pentyl]-N-[5-[2,3-dihydroxy-4-[(methylamino)carbonyl]benzoyl]aminopentyl]-N-hydroxysuccinamide; NSC691698; CHEMBL2002070; NSC-691698; NCI60_032916; 2,3-Dihydroxy-N~1~-methyl-N~4~-(6,17,28-trihydroxy-7,10,18,21,29-pentaoxo-6,11,17,22,28-pentaazatriacont-1-yl)terephthalamide; N'-[5-[[4-[[5-(Acetylhydroxyamino)pentyl]amino]-1,4-dioxobutyl]hydroxyamino]pentyl]-N-[5-[2,3-dihydroxy-4-[(methylamino)carbonyl]benzoyl]aminopentyl]-N-hydroxysuccinamide; N4-[5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxo-butanoyl]-hydroxy-amino]pentylamino]-4-oxo-butanoyl]-hydroxy-amino]pentyl]-2,3-dihydroxy-N1-methyl-terephthalamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691698	.	.	.	.	753.8	C34H55N7O12	279	1180	-0.5	53	9	12	26	"InChI=1S/C34H55N7O12/c1-24(42)39(51)21-9-3-6-18-36-27(43)14-16-29(45)40(52)22-10-4-7-19-37-28(44)15-17-30(46)41(53)23-11-5-8-20-38-34(50)26-13-12-25(33(49)35-2)31(47)32(26)48/h12-13,47-48,51-53H,3-11,14-23H2,1-2H3,(H,35,49)(H,36,43)(H,37,44)(H,38,50)"	CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)C1=C(C(=C(C=C1)C(=O)NC)O)O)O)O)O	VSGMSRUQPCIDQZ-UHFFFAOYSA-N
DG57637	"(2,3-Dibenzyloxyphenyl)-(2-thioxothiazolidin-3-yl)methanone"	391978	"NSC691700; CHEMBL2002674; SCHEMBL16789593; NSC-691700; NCI60_032918; 3-(2,3-Bis(benzyloxy)benzoyl)-1,3-thiazolidine-2-thione; (2,3-dibenzyloxyphenyl)-(2-thioxothiazolidin-3-yl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691700	.	.	.	.	435.6	C24H21NO3S2	96.2	575	5.4	30	0	5	7	"InChI=1S/C24H21NO3S2/c26-23(25-14-15-30-24(25)29)20-12-7-13-21(27-16-18-8-3-1-4-9-18)22(20)28-17-19-10-5-2-6-11-19/h1-13H,14-17H2"	C1CSC(=S)N1C(=O)C2=C(C(=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4	LECYDRFNRQJMPW-UHFFFAOYSA-N
DG57638	"6-methoxy-N,N,7,9-tetramethyl-purin-9-ium-2-amine"	391982	"NSC691767; heteromine A; CHEMBL507423; NSC-691767; 6-methoxy-N,N,7,9-tetramethyl-purin-9-ium-2-amine; 7H-Purinium, 2-(dimethylamino)-6-methoxy-7,9-dimethyl-, chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691767	.	.	.	.	257.72	C10H16ClN5O	47.1	249	.	17	0	5	2	"InChI=1S/C10H16N5O.ClH/c1-13(2)10-11-8-7(9(12-10)16-5)14(3)6-15(8)4;/h6H,1-5H3;1H/q+1;/p-1"	CN1C=[N+](C2=C1C(=NC(=N2)N(C)C)OC)C.[Cl-]	SNKXVKLOCWIXQD-UHFFFAOYSA-M
DG57639	NSC691778	391989	"N,8-dimethyl-9-oxo-N-phenyl-11,13-dithia-8-azatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,12(16),14-hexaene-14-carboxamide; NSC691778; CHEMBL1974828; NSC-691778; N-dimethyl-oxo-N-phenyl-[ ]carboxamide; NCI60_032926; N,5-Dimethyl-6-oxo-N-phenyl-5,6-dihydrothieno[3',2':4,5]thieno[2,3-c]quinoline-9-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691778	.	.	.	.	404.5	C22H16N2O2S2	97.1	638	5.4	28	0	4	2	"InChI=1S/C22H16N2O2S2/c1-23(13-8-4-3-5-9-13)20(25)17-12-15-18-14-10-6-7-11-16(14)24(2)21(26)19(18)28-22(15)27-17/h3-12H,1-2H3"	CN1C2=CC=CC=C2C3=C(C1=O)SC4=C3C=C(S4)C(=O)N(C)C5=CC=CC=C5	GNUINEACFTUSCO-UHFFFAOYSA-N
DG57640	Methyl 2-hydroperoxy-5-oxo-2-phenyl-furan-3-carboxylate	391991	"NSC691780; CHEMBL1983284; NSC-691780; NCI60_032928; methyl 2-hydroperoxy-5-oxo-2-phenyl-furan-3-carboxylate; Methyl 2-hydroperoxy-5-oxo-2-phenyl-2,5-dihydro-3-furancarboxylate; 5-Oxo-2-phenyl-2-hydroperoxy-2,5-dihydrofuran-3-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691780	.	.	.	.	250.2	C12H10O6	82.1	382	0.8	18	1	6	4	"InChI=1S/C12H10O6/c1-16-11(14)9-7-10(13)17-12(9,18-15)8-5-3-2-4-6-8/h2-7,15H,1H3"	COC(=O)C1=CC(=O)OC1(C2=CC=CC=C2)OO	BCILQSGYQQGGLU-UHFFFAOYSA-N
DG57641	"Dimethyl 2-benzyl-2-hydroperoxy-5-oxo-furan-3,4-dicarboxylate"	391993	"NSC691782; CHEMBL1977484; NSC-691782; NCI60_032930; dimethyl 2-benzyl-2-hydroperoxy-5-oxo-furan-3,4-dicarboxylate; Dimethyl 2-benzyl-2-hydroperoxy-5-oxo-2,5-dihydro-3,4-furandicarboxylate; 2-Oxo-5-benzyl-5-hydroperoxy-2,5-dihydrofuran-3,4-dicarboxylic acid dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691782	.	.	.	.	322.27	C15H14O8	108	532	1.1	23	1	8	7	"InChI=1S/C15H14O8/c1-20-12(16)10-11(14(18)21-2)15(23-19,22-13(10)17)8-9-6-4-3-5-7-9/h3-7,19H,8H2,1-2H3"	COC(=O)C1=C(C(OC1=O)(CC2=CC=CC=C2)OO)C(=O)OC	AXULXPISEVVHIP-UHFFFAOYSA-N
DG57642	"(3-Methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl)-(2,6,6-trimethylcyclohexen-1-yl)methanol"	392008	"NSC691807; CHEMBL2005879; NSC-691807; (3-methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl)-(2,6,6-trimethylcyclohexen-1-yl)methanol; NCI60_032944; (3-Methyl-1,1-dioxido-2,5-dihydro-2-thienyl)(2,6,6-trimethyl-1-cyclohexen-1-yl)methanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691807	.	.	.	.	284.4	C15H24O3S	62.8	532	2.1	19	1	3	2	"InChI=1S/C15H24O3S/c1-10-6-5-8-15(3,4)12(10)13(16)14-11(2)7-9-19(14,17)18/h7,13-14,16H,5-6,8-9H2,1-4H3"	CC1=C(C(CCC1)(C)C)C(C2C(=CCS2(=O)=O)C)O	QFXAVRIMIVBVLD-UHFFFAOYSA-N
DG57643	"2-[[1-[[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione"	392015	NSC691814; CHEMBL1969215; NSC-691814; NCI60_032951	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691814	.	.	.	.	418.36	C16H18N8O6	171	831	-2.5	30	3	9	5	"InChI=1S/C16H18N8O6/c1-8-4-23(15(28)19-14(8)27)13-2-10(25)11(30-13)7-22-5-9(20-21-22)6-24-16(29)18-12(26)3-17-24/h3-5,10-11,13,25H,2,6-7H2,1H3,(H,18,26,29)(H,19,27,28)"	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN3C=C(N=N3)CN4C(=O)NC(=O)C=N4)O	CWODJSMVWRIQCA-UHFFFAOYSA-N
DG57644	"6-Bromo-2-[[1-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione"	392017	NSC691816; CHEMBL1985222; NSC-691816; NCI60_032953	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691816	.	.	.	.	497.26	C16H17BrN8O6	171	880	-1.4	31	3	9	5	"InChI=1S/C16H17BrN8O6/c1-7-3-24(15(29)18-13(7)27)11-2-9(26)10(31-11)6-23-4-8(20-22-23)5-25-16(30)19-14(28)12(17)21-25/h3-4,9-11,26H,2,5-6H2,1H3,(H,18,27,29)(H,19,28,30)"	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN3C=C(N=N3)CN4C(=O)NC(=O)C(=N4)Br)O	VGYZOKJEVIWJRY-UHFFFAOYSA-N
DG57645	NSC691817	392018	"1-[4-[4-[(5-Chloro-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione; NSC691817; CHEMBL2006872; NSC-691817; NCI60_032954"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691817	.	.	.	.	724.2	C37H34ClN7O7	157	1390	3.4	52	2	9	11	"InChI=1S/C37H34ClN7O7/c1-23-18-44(36(49)39-33(23)46)32-17-30(45-20-27(41-42-45)19-43-21-29(38)34(47)40-35(43)48)31(52-32)22-51-37(24-9-5-3-6-10-24,25-11-7-4-8-12-25)26-13-15-28(50-2)16-14-26/h3-16,18,20-21,30-32H,17,19,22H2,1-2H3,(H,39,46,49)(H,40,47,48)"	CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)N6C=C(N=N6)CN7C=C(C(=O)NC7=O)Cl	OAIKOHKGTMGNDO-UHFFFAOYSA-N
DG57646	NSC691818	392019	"1-[4-[4-[(5-Iodo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione; NSC691818; CHEMBL2001379; NSC-691818; NCI60_032955"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691818	.	.	.	.	815.6	C37H34IN7O7	157	1390	3.2	52	2	9	11	"InChI=1S/C37H34IN7O7/c1-23-18-44(36(49)39-33(23)46)32-17-30(45-20-27(41-42-45)19-43-21-29(38)34(47)40-35(43)48)31(52-32)22-51-37(24-9-5-3-6-10-24,25-11-7-4-8-12-25)26-13-15-28(50-2)16-14-26/h3-16,18,20-21,30-32H,17,19,22H2,1-2H3,(H,39,46,49)(H,40,47,48)"	CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)N6C=C(N=N6)CN7C=C(C(=O)NC7=O)I	NKMNFFRSQATFHI-UHFFFAOYSA-N
DG57647	NSC691819	392020	"1-[4-[4-[(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione; NSC691819; CHEMBL1973837; NSC-691819; NCI60_032956"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691819	.	.	.	.	707.7	C37H34FN7O7	157	1390	2.9	52	2	10	11	"InChI=1S/C37H34FN7O7/c1-23-18-44(36(49)39-33(23)46)32-17-30(45-20-27(41-42-45)19-43-21-29(38)34(47)40-35(43)48)31(52-32)22-51-37(24-9-5-3-6-10-24,25-11-7-4-8-12-25)26-13-15-28(50-2)16-14-26/h3-16,18,20-21,30-32H,17,19,22H2,1-2H3,(H,39,46,49)(H,40,47,48)"	CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)N6C=C(N=N6)CN7C=C(C(=O)NC7=O)F	MIWPHKKTILHSTN-UHFFFAOYSA-N
DG57648	NSC691820	392021	"1-[4-[4-[(5-Bromo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione; NSC691820; CHEMBL1986191; NSC-691820; NCI60_032957"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691820	.	.	.	.	768.6	C37H34BrN7O7	157	1390	3.4	52	2	9	11	"InChI=1S/C37H34BrN7O7/c1-23-18-44(36(49)39-33(23)46)32-17-30(45-20-27(41-42-45)19-43-21-29(38)34(47)40-35(43)48)31(52-32)22-51-37(24-9-5-3-6-10-24,25-11-7-4-8-12-25)26-13-15-28(50-2)16-14-26/h3-16,18,20-21,30-32H,17,19,22H2,1-2H3,(H,39,46,49)(H,40,47,48)"	CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)N6C=C(N=N6)CN7C=C(C(=O)NC7=O)Br	RPVNLFGWKDRYBS-UHFFFAOYSA-N
DG57649	"1-[4-[4-[(2,4-Dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione"	392022	NSC691821; CHEMBL1974035; NSC-691821; NCI60_032958	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691821	.	.	.	.	417.4	C17H19N7O6	159	829	-2.6	30	3	8	5	"InChI=1S/C17H19N7O6/c1-9-5-23(17(29)19-15(9)27)14-4-11(12(8-25)30-14)24-7-10(20-21-24)6-22-3-2-13(26)18-16(22)28/h2-3,5,7,11-12,14,25H,4,6,8H2,1H3,(H,18,26,28)(H,19,27,29)"	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N3C=C(N=N3)CN4C=CC(=O)NC4=O	MFFOUDZYFVDVOU-UHFFFAOYSA-N
DG57650	"1-[5-(Hydroxymethyl)-4-[4-[(5-iodo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione"	392023	NSC691822; CHEMBL1988689; NSC-691822; NCI60_032959	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691822	.	.	.	.	543.3	C17H18IN7O6	159	879	-2	31	3	8	5	"InChI=1S/C17H18IN7O6/c1-8-3-24(17(30)19-14(8)27)13-2-11(12(7-26)31-13)25-5-9(21-22-25)4-23-6-10(18)15(28)20-16(23)29/h3,5-6,11-13,26H,2,4,7H2,1H3,(H,19,27,30)(H,20,28,29)"	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N3C=C(N=N3)CN4C=C(C(=O)NC4=O)I	QQIJAJXOAAOQTE-UHFFFAOYSA-N
DG57651	"1-[4-[4-[(5-Bromo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione"	392025	NSC691824; CHEMBL1983434; NSC-691824; NCI60_032961	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691824	.	.	.	.	496.3	C17H18BrN7O6	159	879	-1.7	31	3	8	5	"InChI=1S/C17H18BrN7O6/c1-8-3-24(17(30)19-14(8)27)13-2-11(12(7-26)31-13)25-5-9(21-22-25)4-23-6-10(18)15(28)20-16(23)29/h3,5-6,11-13,26H,2,4,7H2,1H3,(H,19,27,30)(H,20,28,29)"	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N3C=C(N=N3)CN4C=C(C(=O)NC4=O)Br	XVLYFZIEZDAANU-UHFFFAOYSA-N
DG57652	"4-[5-[[3-[[3-(4-Acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]methyl]triazol-1-yl]butyl acetate"	392027	NSC691826; CHEMBL1973099; NSC-691826; NCI60_032963	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691826	.	.	.	.	502.5	C22H30N8O6	155	811	-0.9	36	0	10	16	"InChI=1S/C22H30N8O6/c1-17(31)35-11-5-3-8-29-19(13-23-25-29)15-27-10-7-21(33)28(22(27)34)16-20-14-24-26-30(20)9-4-6-12-36-18(2)32/h7,10,13-14H,3-6,8-9,11-12,15-16H2,1-2H3"	CC(=O)OCCCCN1C(=CN=N1)CN2C=CC(=O)N(C2=O)CC3=CN=NN3CCCCOC(=O)C	IEYRVVPANVPJNX-UHFFFAOYSA-N
DG57653	"3-(1H-indol-3-yl)-5-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-4,5-dihydro-1H-pyridazin-6-one"	392029	"NSC691828; CHEMBL2001557; NSC-691828; NCI60_032965; 3-(1H-indol-3-yl)-5-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-4,5-dihydro-1H-pyridazin-6-one; 6-(1H-Indol-3-yl)-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-3(2H)-pyridazinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691828	.	.	.	.	309.32	C16H15N5O2	98.7	599	0.4	23	3	4	2	"InChI=1S/C16H15N5O2/c1-8-14(16(23)21-18-8)10-6-13(19-20-15(10)22)11-7-17-12-5-3-2-4-9(11)12/h2-5,7,10,14,17H,6H2,1H3,(H,20,22)(H,21,23)"	CC1=NNC(=O)C1C2CC(=NNC2=O)C3=CNC4=CC=CC=C43	QVTRXVLXIVDHML-UHFFFAOYSA-N
DG57654	"6-(1H-indol-3-yl)-4-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-2-phenyl-4,5-dihydropyridazin-3-one"	392031	"NSC691830; CHEMBL1970991; NSC-691830; NCI60_032967; 6-(1H-indol-3-yl)-4-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-2-phenyl-4,5-dihydropyridazin-3-one; 6-(1H-Indol-3-yl)-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-2-phenyl-4,5-dihydro-3(2H)-pyridazinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691830	.	.	.	.	385.4	C22H19N5O2	89.9	742	2.2	29	2	4	3	"InChI=1S/C22H19N5O2/c1-13-20(21(28)25-24-13)16-11-19(17-12-23-18-10-6-5-9-15(17)18)26-27(22(16)29)14-7-3-2-4-8-14/h2-10,12,16,20,23H,11H2,1H3,(H,25,28)"	CC1=NNC(=O)C1C2CC(=NN(C2=O)C3=CC=CC=C3)C4=CNC5=CC=CC=C54	YEXUMQAANBDADK-UHFFFAOYSA-N
DG57655	"3-(1H-indol-3-yl)-5-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-1-carboxamide"	392032	"NSC691831; CHEMBL1985595; NSC-691831; NCI60_032968; 3-(1H-indol-3-yl)-5-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-1-carboxamide; 3-(1H-Indol-3-yl)-5-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-6-oxo-5,6-dihydro-1(4H)-pyridazinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691831	.	.	.	.	352.3	C17H16N6O3	133	717	0.4	26	3	5	2	"InChI=1S/C17H16N6O3/c1-8-14(15(24)21-20-8)10-6-13(22-23(16(10)25)17(18)26)11-7-19-12-5-3-2-4-9(11)12/h2-5,7,10,14,19H,6H2,1H3,(H2,18,26)(H,21,24)"	CC1=NNC(=O)C1C2CC(=NN(C2=O)C(=O)N)C3=CNC4=CC=CC=C43	RVALZZMAGHPCHB-UHFFFAOYSA-N
DG57656	"4-bromo-3-(1H-indol-3-yl)-5-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-4,5-dihydro-1H-pyridazin-6-one"	392034	"NSC691833; CHEMBL1993614; NSC-691833; NCI60_032969; 4-bromo-3-(1H-indol-3-yl)-5-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-4,5-dihydro-1H-pyridazin-6-one; 5-Bromo-6-(1H-indol-3-yl)-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-3(2H)-pyridazinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691833	.	.	.	.	388.22	C16H14BrN5O2	98.7	634	1.3	24	3	4	2	"InChI=1S/C16H14BrN5O2/c1-7-11(15(23)21-19-7)12-13(17)14(20-22-16(12)24)9-6-18-10-5-3-2-4-8(9)10/h2-6,11-13,18H,1H3,(H,21,23)(H,22,24)"	CC1=NNC(=O)C1C2C(C(=NNC2=O)C3=CNC4=CC=CC=C43)Br	CTXDHXWHBFPWLD-UHFFFAOYSA-N
DG57657	"4-(Benzylamino)-6-(1H-indol-3-yl)-4,5-dihydro-3(2H)-pyridazinone"	392041	"NSC691840; CHEMBL1994641; NSC-691840; NCI60_032973; 4-(Benzylamino)-6-(1H-indol-3-yl)-4,5-dihydro-3(2H)-pyridazinone; 5-(benzylamino)-3-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691840	.	.	.	.	318.4	C19H18N4O	69.3	486	2.2	24	3	3	4	"InChI=1S/C19H18N4O/c24-19-18(20-11-13-6-2-1-3-7-13)10-17(22-23-19)15-12-21-16-9-5-4-8-14(15)16/h1-9,12,18,20-21H,10-11H2,(H,23,24)"	C1C(C(=O)NN=C1C2=CNC3=CC=CC=C32)NCC4=CC=CC=C4	XRBKJTOJCKAIQN-UHFFFAOYSA-N
DG57658	NSC691849	392057	"15-[2-(Dimethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione;hydrochloride; NSC691849; CHEMBL541321; NSC-691849; 2-dimethylaminoethyl-[2-(2-hydroxyethylamino)ethylamino][ ]trione; 1H,7H-Pyrimido[5,6,1-de]acridine-1,3,7(2H)-trione, 2-[2-(dimethylamino)ethyl]-6-[[2-[(2-hydroxyethyl)amino]ethyl]amino]-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691849	.	.	.	.	474	C23H28ClN5O4	105	717	.	33	4	7	9	"InChI=1S/C23H27N5O4.ClH/c1-26(2)12-13-27-22(31)16-7-8-17(25-10-9-24-11-14-29)19-20(16)28(23(27)32)18-6-4-3-5-15(18)21(19)30;/h3-8,24-25,29H,9-14H2,1-2H3;1H"	CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCNCCO)C(=O)C4=CC=CC=C4N3C1=O.Cl	FIDLHZKYHQEZLA-UHFFFAOYSA-N
DG57659	NSC691852	392063	"15-[2-(Dimethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-5-methoxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;hydrochloride; NSC691852; CHEMBL1985973; NSC-691852; 2-dimethylaminoethyl-[2-(2-hydroxyethylamino)ethylamino]-methoxy-[ ]trione; 1H,7H-Pyrimido[5,6,1-de]acridine-1,3,7(2H)-trione, 2-[2-(dimethylamino)ethyl]-6-[[2-[(2-hydroxyethyl)amino]ethyl]amino]-9-methoxy-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691852	.	.	.	.	504	C24H30ClN5O5	114	764	.	35	4	8	10	"InChI=1S/C24H29N5O5.ClH/c1-27(2)11-12-28-23(32)16-5-6-18(26-9-8-25-10-13-30)20-21(16)29(24(28)33)19-7-4-15(34-3)14-17(19)22(20)31;/h4-7,14,25-26,30H,8-13H2,1-3H3;1H"	CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCNCCO)C(=O)C4=C(N3C1=O)C=CC(=C4)OC.Cl	RTCCOPKCKSLMSC-UHFFFAOYSA-N
DG57660	"12,13-Dimethyl-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-dione"	392065	"NSC691877; CHEMBL124033; SCHEMBL8112495; NSC-691877; NCI60_032987; 12,13-Dimethyl-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-dione; 5H-Indolo[2,4-c]carbazole-5,7(6H)-dione, 12,13-dihydro-12,13-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691877	.	.	.	.	353.4	C22H15N3O2	56	625	3.5	27	1	2	0	"InChI=1S/C22H15N3O2/c1-24-13-9-5-3-7-11(13)15-17-18(22(27)23-21(17)26)16-12-8-4-6-10-14(12)25(2)20(16)19(15)24/h3-10H,1-2H3,(H,23,26,27)"	CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C)C(=O)NC4=O	KHNZAHCUOWJNCL-UHFFFAOYSA-N
DG57661	"3,24-Dimethyl-3,13,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,16,18,20,22-nonaene-12,15-dione"	392069	NSC691881; CHEMBL1981788; NSC-691881; NCI60_032992	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691881	.	.	.	.	368.4	C22H16N4O2	68.1	640	3.3	28	2	2	0	"InChI=1S/C22H16N4O2/c1-25-13-9-5-3-7-11(13)15-17-18(22(28)24-23-21(17)27)16-12-8-4-6-10-14(12)26(2)20(16)19(15)25/h3-10H,1-2H3,(H,23,27)(H,24,28)"	CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C)C(=O)NNC4=O	UXQKFZQLUHACFP-UHFFFAOYSA-N
DG57662	"1-Phenyl-3-[2-(1-methyl-1H-indol-2-yl)-1-methyl-1H-indol-3-yl]-1H-pyrrole-2,5-dione"	392072	"NSC691884; CHEMBL1981259; NSC-691884; NCI60_032995; 1-Phenyl-3-[2-(1-methyl-1H-indol-2-yl)-1-methyl-1H-indol-3-yl]-1H-pyrrole-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691884	.	.	.	.	431.5	C28H21N3O2	47.2	818	4.5	33	0	2	3	"InChI=1S/C28H21N3O2/c1-29-22-14-8-6-10-18(22)16-24(29)27-26(20-13-7-9-15-23(20)30(27)2)21-17-25(32)31(28(21)33)19-11-4-3-5-12-19/h3-17H,1-2H3"	CN1C2=CC=CC=C2C=C1C3=C(C4=CC=CC=C4N3C)C5=CC(=O)N(C5=O)C6=CC=CC=C6	KKAYPIDAIJGESD-UHFFFAOYSA-N
DG57663	"4,6-Diiodo-3a,7a-dihydro-2H-thieno[3',4':4,5]cyclopenta[1,2-d][1,3]oxazole-2,7(3H)-dione"	392081	"NSC691895; MLS002702407; CHEMBL1723773; NSC-691895; 4,6-Diiodo-3a,7a-dihydro-2H-thieno[3',4':4,5]cyclopenta[1,2-d][1,3]oxazole-2,7(3H)-dione; NCI60_033001; SMR001565969; 4,6-diiodo-3a,7a-dihydro-3H-thieno[[ ]:[ ]]cyclopenta[[ ]]oxazole-2,7-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691895	.	.	.	.	446.99	C8H3I2NO3S	83.6	353	1.9	15	1	4	0	"InChI=1S/C8H3I2NO3S/c9-6-1-2(7(10)15-6)4(12)5-3(1)11-8(13)14-5/h3,5H,(H,11,13)"	C12C(C(=O)C3=C(SC(=C31)I)I)OC(=O)N2	UWDMOILRXVLKCY-UHFFFAOYSA-N
DG57664	2-Amino-1-benzoyl-4-phenyl-pyrrole-3-carbonitrile	392114	NSC691986; CHEMBL2005467; NSC-691986; NCI60_033021; 2-amino-1-benzoyl-4-phenyl-pyrrole-3-carbonitrile; 2-Amino-1-benzoyl-4-phenyl-1H-pyrrole-3-carbonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691986	.	.	.	.	287.3	C18H13N3O	71.8	443	3.8	22	1	3	2	"InChI=1S/C18H13N3O/c19-11-15-16(13-7-3-1-4-8-13)12-21(17(15)20)18(22)14-9-5-2-6-10-14/h1-10,12H,20H2"	C1=CC=C(C=C1)C2=CN(C(=C2C#N)N)C(=O)C3=CC=CC=C3	VUINUZBIBFZPHN-UHFFFAOYSA-N
DG57665	2-hydroxy-N'-(2-hydroxybenzyl)benzohydrazide	392123	2-hydroxy-N'-(2-hydroxybenzyl)benzohydrazide; NSC691998; 2-hydroxy-N'-[(2-hydroxyphenyl)methyl]benzohydrazide; CHEMBL433983; 187806-37-7; SCHEMBL4334119; ZINC1858329; BDBM50056898; STK951933; AKOS002321331; MCULE-7313538516; NSC-691998; N-(2-Hydroxybenzyl)-N'-salicylhydrazine; NCI60_033027; 2-Hydroxy-N'-(2-hydroxybenzyl)benzhydrazide; AT-057/41488214; SR-01000010886; SR-01000010886-1; F1232-0701; 2-Hydroxy-benzoic acid N''-(2-hydroxy-benzyl)-hydrazide; 2-hydroxy-N'-[(2- hydroxyphenyl)methyl]benzohydrazide (Compound 4)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691998	.	.	.	.	258.269	C14H14N2O3	81.6	298	2.9	19	4	4	4	"InChI=1S/C14H14N2O3/c17-12-7-3-1-5-10(12)9-15-16-14(19)11-6-2-4-8-13(11)18/h1-8,15,17-18H,9H2,(H,16,19)"	C1=CC=C(C(=C1)CNNC(=O)C2=CC=CC=C2O)O	SJSJXRMQLWUZCN-UHFFFAOYSA-N
DG57666	2-Amino-N-(4-chlorophenyl)-5-cyano-6-hydroxy-4-(methylthio)nicotinamide	392128	NSC692008; CHEMBL1988323; NSC-692008; NCI60_033031; 2-Amino-N-(4-chlorophenyl)-5-cyano-6-hydroxy-4-(methylthio)nicotinamide; 2-amino-N-(4-chlorophenyl)-5-cyano-6-hydroxy-4-methylsulfanyl-pyridine-3-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692008	.	.	.	.	334.8	C14H11ClN4O2S	133	612	1.6	22	3	5	3	"InChI=1S/C14H11ClN4O2S/c1-22-11-9(6-16)13(20)19-12(17)10(11)14(21)18-8-4-2-7(15)3-5-8/h2-5H,1H3,(H,18,21)(H3,17,19,20)"	CSC1=C(C(=O)NC(=C1C(=O)NC2=CC=C(C=C2)Cl)N)C#N	GDLURQLOBQVCFU-UHFFFAOYSA-N
DG57667	"3-Methyl-4-(methylthio)-1,6-dihydropyrazolo[3,4-c]pyrazole"	392131	"NSC692011; CHEMBL1986566; NSC-692011; NCI60_033034; 3-Methyl-4-(methylthio)-1,6-dihydropyrazolo[3,4-c]pyrazole; 3-methyl-4-methylsulfanyl-1,6-dihydropyrazolo[3,4-c]pyrazole; Methyl 4-methyl-1,6-dihydropyrazolo[3,4-c]pyrazol-3-yl sulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692011	.	.	.	.	168.22	C6H8N4S	82.7	154	1.4	11	2	3	1	"InChI=1S/C6H8N4S/c1-3-4-5(8-7-3)9-10-6(4)11-2/h1-2H3,(H2,7,8,9,10)"	CC1=C2C(=NN1)NN=C2SC	DNBZBBASYVFSHU-UHFFFAOYSA-N
DG57668	5-Acetyl-1-(4-chlorophenyl)-2-hydroxy-4-methylsulfanyl-6-oxo-pyridine-3-carbonitrile	392140	"NSC692020; CHEMBL1997238; NSC-692020; NCI60_033043; 5-acetyl-1-(4-chlorophenyl)-2-hydroxy-4-methylsulfanyl-6-oxo-pyridine-3-carbonitrile; 5-Acetyl-1-(4-chlorophenyl)-2-hydroxy-4-(methylthio)-6-oxo-1,6-dihydro-3-pyridinecarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692020	.	.	.	.	334.8	C15H11ClN2O3S	107	624	2.5	22	1	5	3	"InChI=1S/C15H11ClN2O3S/c1-8(19)12-13(22-2)11(7-17)14(20)18(15(12)21)10-5-3-9(16)4-6-10/h3-6,21H,1-2H3"	CC(=O)C1=C(N(C(=O)C(=C1SC)C#N)C2=CC=C(C=C2)Cl)O	QJZUXANUTGNGPR-UHFFFAOYSA-N
DG57669	4-[Bis(methylsulfanyl)methylene]-5-methylsulfanyl-2-phenyl-pyrazol-3-one	392142	"NSC692022; CHEMBL1983081; NSC-692022; NCI60_033045; 4-[bis(methylsulfanyl)methylene]-5-methylsulfanyl-2-phenyl-pyrazol-3-one; 4-(Bis(methylthio)methylene)-5-(methylthio)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692022	.	.	.	.	310.5	C13H14N2OS3	109	408	3.4	19	0	5	4	"InChI=1S/C13H14N2OS3/c1-17-11-10(13(18-2)19-3)12(16)15(14-11)9-7-5-4-6-8-9/h4-8H,1-3H3"	CSC1=NN(C(=O)C1=C(SC)SC)C2=CC=CC=C2	NJEYDNKKBDHAJX-UHFFFAOYSA-N
DG57670	N-(4-chlorophenyl)-5-imino-3-methylsulfanyl-2-phenyl-1H-pyrazole-4-carboxamide	392154	"NSC692034; CHEMBL1990044; NSC-692034; NCI60_033057; N-(4-Chlorophenyl)-3-imino-5-(methylthio)-1-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide; N-(4-chlorophenyl)-5-imino-3-methylsulfanyl-2-phenyl-1H-pyrazole-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692034	.	.	.	.	358.8	C17H15ClN4OS	98.2	427	4.4	24	2	4	4	"InChI=1S/C17H15ClN4OS/c1-24-17-14(16(23)20-12-9-7-11(18)8-10-12)15(19)21-22(17)13-5-3-2-4-6-13/h2-10H,1H3,(H2,19,21)(H,20,23)"	CSC1=C(C(=NN1C2=CC=CC=C2)N)C(=O)NC3=CC=C(C=C3)Cl	HHGFZWAYLYIYPZ-UHFFFAOYSA-N
DG57671	"2-Hydroxy-4-methylsulfanyl-6-sulfanyl-pyridine-3,5-dicarbonitrile"	392158	"NSC692038; SCHEMBL5095933; CHEMBL1977380; NSC-692038; NCI60_033061; 2-Hydroxy-6-mercapto-4-(methylthio)-3,5-pyridinedicarbonitrile; 2-hydroxy-4-methylsulfanyl-6-sulfanyl-pyridine-3,5-dicarbonitrile; 2-Thioxo-4-methylthio-6-hydroxy-1,2-dihydropyridine-3,5-dicarbonitrile; 6-hydroxy-4-methylsulfanyl-2-thioxo-1,2-dihydro-pyridine-3,5-dicarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692038	.	.	.	.	223.3	C8H5N3OS2	103	458	0.2	14	2	5	1	"InChI=1S/C8H5N3OS2/c1-14-6-4(2-9)7(12)11-8(13)5(6)3-10/h1H3,(H2,11,12,13)"	CSC1=C(C(=O)NC(=C1C#N)S)C#N	MSSAIFDJGUDNBX-UHFFFAOYSA-N
DG57672	"7-Acetyl-5-(4-chlorophenyl)-3-imino-1,2,3,5-tetrahydro-4H-pyrazolo[4,3-c]pyridin-4-one"	392163	"NSC692043; CHEMBL1975243; SCHEMBL16451515; NSC-692043; 7-Acetyl-5-(4-chlorophenyl)-3-imino-1,2,3,5-tetrahydro-4H-pyrazolo[4,3-c]pyridin-4-one; NCI60_033066; 7-acetyl-5-(4-chlorophenyl)-3-imino-1,2-dihydropyrazolo[4,3-c]pyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692043	.	.	.	.	302.71	C14H11ClN4O2	92.1	487	1.6	21	2	4	2	"InChI=1S/C14H11ClN4O2/c1-7(20)10-6-19(9-4-2-8(15)3-5-9)14(21)11-12(10)17-18-13(11)16/h2-6H,1H3,(H3,16,17,18)"	CC(=O)C1=CN(C(=O)C2=C1NN=C2N)C3=CC=C(C=C3)Cl	GTUBFTHBTJTYIJ-UHFFFAOYSA-N
DG57673	2-Amino-3-[[3-hydroxy-3-oxo-2-(prop-2-ynylamino)propyl]disulfanyl]propanoic acid	392174	"NSC692227; Cystine, N-2-propynyl-; CHEMBL1979499; NSC-692227; 2-amino-3-[[3-hydroxy-3-oxo-2-(prop-2-ynylamino)propyl]disulfanyl]propanoic acid; NCI60_033078"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692227	.	.	.	.	278.4	C9H14N2O4S2	163	315	-5.6	17	4	8	9	"InChI=1S/C9H14N2O4S2/c1-2-3-11-7(9(14)15)5-17-16-4-6(10)8(12)13/h1,6-7,11H,3-5,10H2,(H,12,13)(H,14,15)"	C#CCNC(CSSCC(C(=O)O)N)C(=O)O	NZBAHLNNCRBXEZ-UHFFFAOYSA-N
DG57674	"5-Hydroxy-2-isopropenyl-2,3-dihydrobenzo[f]benzofuran-4,9-dione"	392175	"NSC692229; CHEMBL1090798; 5-Hydroxydehydroiso-alpha-lapachone; 5-Hydroxy-dehydroiso-.alpha.-lapachone; NSC-692229; NCI60_033080; 2H,3-b]furan-4,9-dione,5-hydroxy-2-(1-methylethenyl)-; 5-Hydroxy-2-isopropenyl-2,3-dihydro-naphtho[2,3-b]furan-4,9-dione; 5-hydroxy-2-isopropenyl-2,3-dihydrobenzo[f]benzofuran-4,9-dione; 2,3-dihydro-5-hydroxy-2-(1-methylethenyl) naphtho-[2,3-b ]furan-4,9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692229	.	.	.	.	256.25	C15H12O4	63.6	502	3.2	19	1	4	1	"InChI=1S/C15H12O4/c1-7(2)11-6-9-13(17)12-8(4-3-5-10(12)16)14(18)15(9)19-11/h3-5,11,16H,1,6H2,2H3"	CC(=C)C1CC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)O	IBEJQTNPERQUOA-UHFFFAOYSA-N
DG57675	"2(1H)-Pyrimidinone, 4-[(9-ethyl-9H-carbazol-3-yl)amino]-6-methyl-"	392190	"2(1H)-Pyrimidinone, 4-[(9-ethyl-9H-carbazol-3-yl)amino]-6-methyl-; NSC692317; 203913-68-2; CHEMBL1996275; DTXSID30327833; NSC-692317; NCI60_033089"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692317	.	.	.	.	318.4	C19H18N4O	58.4	570	2.8	24	2	1	3	"InChI=1S/C19H18N4O/c1-3-23-16-7-5-4-6-14(16)15-11-13(8-9-17(15)23)21-18-10-12(2)20-19(24)22-18/h4-11H,3H2,1-2H3,(H2,20,21,22,24)"	CCN1C2=C(C=C(C=C2)NC3=NC(=O)NC(=C3)C)C4=CC=CC=C41	RIGPSHOOFISQNL-UHFFFAOYSA-N
DG57676	"9-Benzyl-7-bromo-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione"	392195	"NSC692328; CHEMBL1995963; NSC-692328; 9-Benzyl-7-bromo-1,3-dimethylpyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione; NCI60_033094; 9-benzyl-7-bromo-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692328	.	.	.	.	416.2	C17H14BrN5O3	78.8	677	1.6	26	0	4	2	"InChI=1S/C17H14BrN5O3/c1-20-13-12(15(25)21(2)17(20)26)22-9-11(18)14(24)23(16(22)19-13)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3"	CN1C2=C(C(=O)N(C1=O)C)N3C=C(C(=O)N(C3=N2)CC4=CC=CC=C4)Br	MRJUCPQTMKHNQF-UHFFFAOYSA-N
DG57677	"9-(3-Chloro-2-hydroxy-propyl)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione"	392199	"NSC692332; CHEMBL1973448; NSC-692332; 9-(3-Chloro-2-hydroxypropyl)-1,3-dimethylpyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione; NCI60_033098; 9-(3-chloro-2-hydroxy-propyl)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692332	.	.	.	.	339.73	C13H14ClN5O4	99	585	-0.8	23	1	5	3	"InChI=1S/C13H14ClN5O4/c1-16-10-9(11(22)17(2)13(16)23)18-4-3-8(21)19(12(18)15-10)6-7(20)5-14/h3-4,7,20H,5-6H2,1-2H3"	CN1C2=C(C(=O)N(C1=O)C)N3C=CC(=O)N(C3=N2)CC(CCl)O	XXLDTBWDIIEBQW-UHFFFAOYSA-N
DG57678	"2-[8-(3-Chloropropylamino)-1,3-dimethyl-2,6-dioxo-purin-7-yl]acetic acid"	392205	"NSC692338; CHEMBL1980874; NSC-692338; NCI60_033104; 2-[8-(3-chloropropylamino)-1,3-dimethyl-2,6-dioxo-purin-7-yl]acetic acid; (8-((3-Chloropropyl)amino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692338	.	.	.	.	329.74	C12H16ClN5O4	108	476	0.5	22	2	6	6	"InChI=1S/C12H16ClN5O4/c1-16-9-8(10(21)17(2)12(16)22)18(6-7(19)20)11(15-9)14-5-3-4-13/h3-6H2,1-2H3,(H,14,15)(H,19,20)"	CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCCl)CC(=O)O	UYKSMAVZJPYDBE-UHFFFAOYSA-N
DG57679	NSC692343	392210	"Methyl 12-acetamido-13,19-dioxo-3,14,20,30-tetrazahexacyclo[21.7.0.02,10.04,9.014,18.024,29]triaconta-1(23),2(10),4,6,8,24,26,28-octaene-21-carboxylate; NSC692343; CHEMBL1997487; ZINC05848083; NSC-692343; NCI60_033109; Methyl 20-(acetylamino)-14,19-dioxo-6,11,12,13,14,14a,15,16,17,19,20,21-dodecahydro-5H-indolo[2',3':10,11]pyrrolo[2',1':3,4][1,4]diazacyclotridecino[9,8-b]indole-12-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692343	.	.	.	.	541.6	C30H31N5O5	136	1010	2.9	40	4	5	3	"InChI=1S/C30H31N5O5/c1-16(36)31-23-14-19-17-8-3-5-10-21(17)32-26(19)27-20(18-9-4-6-11-22(18)33-27)15-24(30(39)40-2)34-28(37)25-12-7-13-35(25)29(23)38/h3-6,8-11,23-25,32-33H,7,12-15H2,1-2H3,(H,31,36)(H,34,37)"	CC(=O)NC1CC2=C(C3=C(CC(NC(=O)C4CCCN4C1=O)C(=O)OC)C5=CC=CC=C5N3)NC6=CC=CC=C26	LSKBQKYNXKBBGA-UHFFFAOYSA-N
DG57680	NSC692344	392211	"Methyl 18-acetamido-14,17-dioxo-3,13,16,27-tetrazapentacyclo[18.7.0.02,10.04,9.021,26]heptacosa-1(20),2(10),4,6,8,21,23,25-octaene-12-carboxylate; NSC692344; CHEMBL1998383; NSC-692344; NCI60_033110; Methyl 12-(acetylamino)-8,11-dioxo-6,7,8,9,10,11,12,13,18,19-decahydro-5H-indolo[2',3':10,11][1,4]diazacyclotridecino[9,8-b]indole-6-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692344	.	.	.	.	501.5	C27H27N5O5	145	898	2.2	37	5	5	3	"InChI=1S/C27H27N5O5/c1-14(33)29-21-11-17-15-7-3-5-9-19(15)31-24(17)25-18(16-8-4-6-10-20(16)32-25)12-22(27(36)37-2)30-23(34)13-28-26(21)35/h3-10,21-22,31-32H,11-13H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)"	CC(=O)NC1CC2=C(C3=C(CC(NC(=O)CNC1=O)C(=O)OC)C4=CC=CC=C4N3)NC5=CC=CC=C25	SPGZSKAURVQDBJ-UHFFFAOYSA-N
DG57681	"1,2-Di(indol-1-yl)ethane-1,2-dione"	392213	"NSC692346; 1,2-di(indol-1-yl)ethane-1,2-dione; CHEMBL1974062; NSC-692346; NCI60_033112; 1-(1H-Indol-1-yl(oxo)acetyl)-1H-indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692346	.	.	.	.	288.3	C18H12N2O2	44	422	3.9	22	0	2	0	InChI=1S/C18H12N2O2/c21-17(19-11-9-13-5-1-3-7-15(13)19)18(22)20-12-10-14-6-2-4-8-16(14)20/h1-12H	C1=CC=C2C(=C1)C=CN2C(=O)C(=O)N3C=CC4=CC=CC=C43	GAQCZJAXPBXJDJ-UHFFFAOYSA-N
DG57682	NSC692347	392214	"Methyl 2-[19-(2-methoxy-2-oxoethyl)-11-oxo-10,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),4,6,8,13,15,17-heptaen-3-yl]acetate; NSC692347; CHEMBL1999712; NSC-692347; NCI60_033113; methyl 2-[(2-methoxy-2-oxo-ethyl)-oxo-[ ]yl]acetate; Dimethyl 2,2'-(6-oxo-12,12a-dihydroindolo[1',2':3,4]imidazo[1,5-a]indole-12,13-diyl)diacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692347	.	.	.	.	404.4	C23H20N2O5	77.8	726	2.5	30	0	5	6	"InChI=1S/C23H20N2O5/c1-29-19(26)11-15-13-7-3-5-9-17(13)24-21(15)22-16(12-20(27)30-2)14-8-4-6-10-18(14)25(22)23(24)28/h3-10,15,21H,11-12H2,1-2H3"	COC(=O)CC1C2C3=C(C4=CC=CC=C4N3C(=O)N2C5=CC=CC=C15)CC(=O)OC	BLCGEGXEZPZFNQ-UHFFFAOYSA-N
DG57683	methyl 2-[2-[3-hydroxy-3-(2-methoxy-2-oxo-ethyl)indol-2-yl]-1H-indol-3-yl]acetate	392215	"NSC692348; CHEMBL1967935; NSC-692348; NCI60_033114; methyl 2-[2-[3-hydroxy-3-(2-methoxy-2-oxo-ethyl)indol-2-yl]-1H-indol-3-yl]acetate; 1H-Indole-3-acetic acid, 2-[3-hydroxy-3-(2-methoxy-2-oxoethyl)-3H-indol-2-yl]-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692348	.	.	.	.	392.4	C22H20N2O5	101	680	2.9	29	2	6	7	"InChI=1S/C22H20N2O5/c1-28-18(25)11-14-13-7-3-5-9-16(13)23-20(14)21-22(27,12-19(26)29-2)15-8-4-6-10-17(15)24-21/h3-10,23,27H,11-12H2,1-2H3"	COC(=O)CC1=C(NC2=CC=CC=C21)C3=NC4=CC=CC=C4C3(CC(=O)OC)O	WBWVDTAYKSZQHO-UHFFFAOYSA-N
DG57684	NSC692356	392223	"13-Methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione; NSC692356; CHEMBL326711; BDBM50060400; NSC-692356; NCI60_033122; methyl-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl][ ]dione; 5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione, 12-hexopyranosyl-12,13-dihydro-6-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692356	.	.	.	.	501.5	C27H23N3O7	148	951	1.6	37	5	7	2	"InChI=1S/C27H23N3O7/c1-29-25(35)18-16-11-6-2-4-8-13(11)28-20(16)21-17(19(18)26(29)36)12-7-3-5-9-14(12)30(21)27-24(34)23(33)22(32)15(10-31)37-27/h2-9,15,22-24,27-28,31-34H,10H2,1H3"	CN1C(=O)C2=C3C4=CC=CC=C4NC3=C5C(=C2C1=O)C6=CC=CC=C6N5C7C(C(C(C(O7)CO)O)O)O	URLWTPJXRLXCMF-UHFFFAOYSA-N
DG57685	"[4,5-diacetoxy-6-(11H-indolo[2,3-a]carbazol-12-yl)tetrahydropyran-3-yl] acetate"	392232	"NSC692364; CHEMBL1990501; NSC-692364; NCI60_033130; [4,5-diacetoxy-6-(11H-indolo[2,3-a]carbazol-12-yl)tetrahydropyran-3-yl] acetate; Indolo[2,3-a]carbazole, 11,12-dihydro-11-(2,3,4-tri-O-acetylpentopyranosyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692364	.	.	.	.	514.5	C29H26N2O7	109	929	4.4	38	1	7	7	"InChI=1S/C29H26N2O7/c1-15(32)36-24-14-35-29(28(38-17(3)34)27(24)37-16(2)33)31-23-11-7-5-9-19(23)21-13-12-20-18-8-4-6-10-22(18)30-25(20)26(21)31/h4-13,24,27-30H,14H2,1-3H3"	CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=CC=CC=C3C4=C2C5=C(C=C4)C6=CC=CC=C6N5	IEETTZJIVHLYRY-UHFFFAOYSA-N
DG57686	"12-((4-Methylphenyl)sulfonyl)-4b,5,6,11,11b,12-hexahydroindolo[2,3-a]carbazole"	392233	"NSC692365; CHEMBL1983007; NSC-692365; NCI60_033131; (4bR,11bS)-12-(p-tolylsulfonyl)-5,6,11,11b-tetrahydro-4bH-indolo[2,3-a]carbazole; 12-((4-Methylphenyl)sulfonyl)-4b,5,6,11,11b,12-hexahydroindolo[2,3-a]carbazole; (4bR,11bS)-12-[(4-Methylphenyl)sulfonyl]-4b,5,6,11,11b,12-hexahydroindolo[2,3-a]carbazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692365	.	.	.	.	414.5	C25H22N2O2S	61.6	741	4.9	30	1	3	2	"InChI=1S/C25H22N2O2S/c1-16-10-12-17(13-11-16)30(28,29)27-23-9-5-3-7-19(23)21-15-14-20-18-6-2-4-8-22(18)26-24(20)25(21)27/h2-13,21,25-26H,14-15H2,1H3/t21-,25+/m1/s1"	CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]3[C@H](CCC4=C3NC5=CC=CC=C45)C6=CC=CC=C62	ACCIDPZVPHFIQC-BWKNWUBXSA-N
DG57687	Methyl 2-acetamido-3-[1-[1-[3-(2-acetamido-3-methoxy-3-oxo-propyl)indol-1-yl]ethyl]indol-3-yl]propanoate	392239	NSC692372; CHEMBL2007158; NSC-692372; NCI60_033138; Methyl 2-(acetylamino)-3-(1-(1-(3-(2-(acetylamino)-3-methoxy-3-oxopropyl)-1H-indol-1-yl)ethyl)-1H-indol-3-yl)propanoate; methyl 2-acetamido-3-[1-[1-[3-(2-acetamido-3-methoxy-3-oxo-propyl)indol-1-yl]ethyl]indol-3-yl]propanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692372	.	.	.	.	546.6	C30H34N4O6	121	858	3.4	40	2	6	12	"InChI=1S/C30H34N4O6/c1-18(35)31-25(29(37)39-4)14-21-16-33(27-12-8-6-10-23(21)27)20(3)34-17-22(24-11-7-9-13-28(24)34)15-26(30(38)40-5)32-19(2)36/h6-13,16-17,20,25-26H,14-15H2,1-5H3,(H,31,35)(H,32,36)"	CC(N1C=C(C2=CC=CC=C21)CC(C(=O)OC)NC(=O)C)N3C=C(C4=CC=CC=C43)CC(C(=O)OC)NC(=O)C	KRFVEJJAWWKVPD-UHFFFAOYSA-N
DG57688	"3-Aminothiazolo[3,2-a]benzimidazole-2-carbonitrile"	392241	"NSC692377; 3-aminothiazolo[3,2-a]benzimidazole-2-carbonitrile; 174621-79-5; Oprea1_167965; CHEMBL1992955; 1-amino-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonitrile; 3-Amino[1,3]thiazolo[3,2-a]benzimidazole-2-carbonitrile; HMS1668F10; ZINC111002; CCG-52237; MCULE-8460999674; NSC-692377; NCI60_033140; 1-aminothiazolo[3,2-a]benzimidazole-2-carbonitrile; SR-01000641482-1; 3-Amino[1,3]thiazolo[3,2-a]benzimidazole-2-carbonitrile, AldrichCPR"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692377	.	.	.	.	214.25	C10H6N4S	95.4	312	2.7	15	1	4	0	"InChI=1S/C10H6N4S/c11-5-8-9(12)14-7-4-2-1-3-6(7)13-10(14)15-8/h1-4H,12H2"	C1=CC=C2C(=C1)N=C3N2C(=C(S3)C#N)N	JIWZWBIREBPIAB-UHFFFAOYSA-N
DG57689	"5-Benzyl-8-thia-1,3,5,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,9,11,13,15-hexaen-6-imine"	392245	"NSC692381; benzyl[ ]imine; CHEMBL1981749; NSC-692381; NCI60_033144; 3-Benzylpyrimido[4',5':4,5][1,3]thiazolo[3,2-a]benzimidazol-4(3H)-imine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692381	.	.	.	.	331.4	C18H13N5S	85	532	4.5	24	1	4	2	"InChI=1S/C18H13N5S/c19-16-15-17(20-11-22(16)10-12-6-2-1-3-7-12)23-14-9-5-4-8-13(14)21-18(23)24-15/h1-9,11,19H,10H2"	C1=CC=C(C=C1)CN2C=NC3=C(C2=N)SC4=NC5=CC=CC=C5N34	JCANAWSYQGFXKK-UHFFFAOYSA-N
DG57690	"1-(3,3-Dimethylbut-1-ynyl)-1$l^{3},2-benziodoxol-3-one"	392250	"NSC692391; 1-(3,3-dimethylbut-1-ynyl)-1$l^{3},2-benziodoxol-3-one; 135226-09-4; CHEMBL1992539; NSC-692391; NCI60_033149; 1-(3,3-Dimethyl-1-butynyl)-1,2-benziodoxol-3(1H)-one; 1-(3,3-dimethylbut-1-ynyl)-1lambda3,2-benziodoxol-3-one; 1-(3,3-Dimethylbut-1-yn-1-yl)-1l3-benzo[d][1,2]iodaoxol-3(1H)-one; 1-(3,3-Dimethyl-but-1-ynyl)-1H-1-lambda-~3~-benzo[d][1,2]iodoxol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692391	.	.	.	.	328.14	C13H13IO2	26.3	355	4.6	16	0	2	2	"InChI=1S/C13H13IO2/c1-13(2,3)8-9-14-11-7-5-4-6-10(11)12(15)16-14/h4-7H,1-3H3"	CC(C)(C)C#CI1C2=CC=CC=C2C(=O)O1	RURXVEGVOXUPMU-UHFFFAOYSA-N
DG57691	"1-(2-Phenylethynyl)-1,2-benziodoxol-3(1H)-one"	392251	"1-(2-Phenylethynyl)-1,2-benziodoxol-3(1H)-one; 181934-31-6; NSC692392; 1-(Phenylethynyl)-1,2-benziodoxol-3(1H)-one; CHEMBL2005932; MFCD31699849; NSC-692392; NCI60_033150; SY271889; 1-(2-phenylethynyl)-1$l^{3},2-benziodoxol-3-one; 1-(2-phenylethynyl)-1lambda3,2-benziodoxol-3-one; 1-Phenylethynyl-1H-1-lambda-~3~-benzo[d][1,2]iodoxol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692392	.	.	.	.	348.13	C15H9IO2	26.3	386	4.6	18	0	2	2	InChI=1S/C15H9IO2/c17-15-13-8-4-5-9-14(13)16(18-15)11-10-12-6-2-1-3-7-12/h1-9H	C1=CC=C(C=C1)C#CI2C3=CC=CC=C3C(=O)O2	XOIXSZAJFLMMOS-UHFFFAOYSA-N
DG57692	"3-Methylspiro[1,3-benzoxazine-2,3'-benzo[f]chromene]-4-one"	392254	"NSC692395; CHEMBL2006076; 3-methylspiro[1,3-benzoxazine-2,3'-benzo[f]chromene]-4-one; NSC-692395; NCI60_033153; Spiro[2H-1,3-benzoxazine-2,3'-[3H]naphtho[2,1-b]pyran]-4(3H)-one, 3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692395	.	.	.	.	329.3	C21H15NO3	38.8	576	4.5	25	0	3	0	"InChI=1S/C21H15NO3/c1-22-20(23)17-8-4-5-9-18(17)24-21(22)13-12-16-15-7-3-2-6-14(15)10-11-19(16)25-21/h2-13H,1H3"	CN1C(=O)C2=CC=CC=C2OC13C=CC4=C(O3)C=CC5=CC=CC=C54	RFMTWKVXSITTGM-UHFFFAOYSA-N
DG57693	"8'-Methoxy-3-methyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one"	392255	"NSC692396; Oprea1_308528; Oprea1_745938; CHEMBL1993605; 8'-methoxy-3-methyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one; NSC-692396; NCI60_033154; SR-01000528387; SR-01000528387-1; Spiro[2H-1-benzopyran-2,2'-[2H-1,3]benzoxazin]-4'(3'H)-one, 8-methoxy-3'-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692396	.	.	.	.	309.3	C18H15NO4	48	507	3.2	23	0	4	1	"InChI=1S/C18H15NO4/c1-19-17(20)13-7-3-4-8-14(13)22-18(19)11-10-12-6-5-9-15(21-2)16(12)23-18/h3-11H,1-2H3"	CN1C(=O)C2=CC=CC=C2OC13C=CC4=C(O3)C(=CC=C4)OC	KWTRAYHFLDVWII-UHFFFAOYSA-N
DG57694	"7'-Hydroxy-3-methyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one"	392256	"NSC692397; CHEMBL1995145; 7'-hydroxy-3-methyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one; NSC-692397; NCI60_033155; Spiro[2H-1-benzopyran-2,2'-[2H-1,3]benzoxazin]-4'(3'H)-one, 7-hydroxy-3'-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692397	.	.	.	.	295.29	C17H13NO4	59	493	2.9	22	1	4	0	"InChI=1S/C17H13NO4/c1-18-16(20)13-4-2-3-5-14(13)21-17(18)9-8-11-6-7-12(19)10-15(11)22-17/h2-10,19H,1H3"	CN1C(=O)C2=CC=CC=C2OC13C=CC4=C(O3)C=C(C=C4)O	VBFHHNWLBLHUGG-UHFFFAOYSA-N
DG57695	"8'-[(e)-(2-Hydroxyphenyl)iminomethyl]-3,6'-dimethyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one"	392258	"NSC692399; CHEMBL1984070; NSC-692399; 8'-[(e)-(2-hydroxyphenyl)iminomethyl]-3,6'-dimethyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one; NCI60_033157; Spiro[2H-1-benzopyran-2,2'-[2H-1,3]benzoxazin]-4'(3'H)-one, 8-[(E)-[(2-hydroxyphenyl)imino]methyl]-3',6-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692399	.	.	.	.	412.4	C25H20N2O4	71.4	739	4.5	31	1	5	2	"InChI=1S/C25H20N2O4/c1-16-13-17-11-12-25(27(2)24(29)19-7-3-6-10-22(19)30-25)31-23(17)18(14-16)15-26-20-8-4-5-9-21(20)28/h3-15,28H,1-2H3"	CC1=CC2=C(C(=C1)C=NC3=CC=CC=C3O)OC4(C=C2)N(C(=O)C5=CC=CC=C5O4)C	CICOELVGIOQXOO-UHFFFAOYSA-N
DG57696	"8'-[(e)-(4-Dimethylaminophenyl)iminomethyl]-3,6'-dimethyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one"	392259	"NSC692400; CHEMBL1990918; NSC-692400; 8'-[(e)-(4-dimethylaminophenyl)iminomethyl]-3,6'-dimethyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one; NCI60_033158; Spiro[2H-1-benzopyran-2,2'-[2H-1,3]benzoxazin]-4'(3'H)-one, 8-[(E)-[[4-(dimethylamino)phenyl]imino]methyl]-3',6-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692400	.	.	.	.	439.5	C27H25N3O3	54.4	775	5	33	0	5	3	"InChI=1S/C27H25N3O3/c1-18-15-19-13-14-27(30(4)26(31)23-7-5-6-8-24(23)32-27)33-25(19)20(16-18)17-28-21-9-11-22(12-10-21)29(2)3/h5-17H,1-4H3"	CC1=CC2=C(C(=C1)C=NC3=CC=C(C=C3)N(C)C)OC4(C=C2)N(C(=O)C5=CC=CC=C5O4)C	XKROPRONWCRSQQ-UHFFFAOYSA-N
DG57697	"5',5'-Dimethyl-3'-phenyl-spiro[chromene-2,4'-oxazolidine]-2'-thione"	392264	"NSC692405; CHEMBL2002692; NSC-692405; NCI60_033163; 5',5'-dimethyl-3'-phenyl-spiro[chromene-2,4'-oxazolidine]-2'-thione; Spiro[2H-1-benzopyran-2,4'-oxazolidine]-2'-thione, 5',5'-dimethyl-3'-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692405	.	.	.	.	323.4	C19H17NO2S	53.8	512	4.7	23	0	3	1	"InChI=1S/C19H17NO2S/c1-18(2)19(13-12-14-8-6-7-11-16(14)21-19)20(17(23)22-18)15-9-4-3-5-10-15/h3-13H,1-2H3"	CC1(C2(C=CC3=CC=CC=C3O2)N(C(=S)O1)C4=CC=CC=C4)C	OIRGKEOLHYXKMJ-UHFFFAOYSA-N
DG57698	"5',5',6-Trimethyl-3'-phenyl-spiro[chromene-2,4'-oxazolidine]-2'-thione"	392265	"NSC692406; CHEMBL1986571; SCHEMBL13498779; NSC-692406; NCI60_033164; 5',5',6-trimethyl-3'-phenyl-spiro[chromene-2,4'-oxazolidine]-2'-thione; Spiro[2H-1-benzopyran-2,4'-oxazolidine]-2'-thione, 5',5',6-trimethyl-3'-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692406	.	.	.	.	337.4	C20H19NO2S	53.8	540	5	24	0	3	1	"InChI=1S/C20H19NO2S/c1-14-9-10-17-15(13-14)11-12-20(22-17)19(2,3)23-18(24)21(20)16-7-5-4-6-8-16/h4-13H,1-3H3"	CC1=CC2=C(C=C1)OC3(C=C2)C(OC(=S)N3C4=CC=CC=C4)(C)C	XLGDTDCOSGHPFA-UHFFFAOYSA-N
DG57699	"5',5'-Dimethyl-3'-phenyl-spiro[benzo[g]chromene-2,4'-oxazolidine]-2'-thione"	392266	"NSC692407; CHEMBL1973666; SCHEMBL13498778; NSC-692407; NCI60_033165; 5',5'-dimethyl-3'-phenyl-spiro[benzo[g]chromene-2,4'-oxazolidine]-2'-thione; Spiro[2H-naphtho[2,3-b]pyran-2,4'-oxazolidine]-2'-thione, 5',5'-dimethyl-3'-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692407	.	.	.	.	373.5	C23H19NO2S	53.8	626	5.9	27	0	3	1	"InChI=1S/C23H19NO2S/c1-22(2)23(24(21(27)26-22)19-10-4-3-5-11-19)13-12-18-14-16-8-6-7-9-17(16)15-20(18)25-23/h3-15H,1-2H3"	CC1(C2(C=CC3=CC4=CC=CC=C4C=C3O2)N(C(=S)O1)C5=CC=CC=C5)C	FSEHWEMHYLMOFB-UHFFFAOYSA-N
DG57700	"2-chloro-1-[2-[2-(1H-indol-2-yl)-1,3-dioxolan-2-yl]piperidin-1-yl]ethanone"	392271	NSC692411; CHEMBL1974006; NSC-692411; NCI60_033169	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692411	.	.	.	.	348.8	C18H21ClN2O3	54.6	469	2.3	24	1	3	3	"InChI=1S/C18H21ClN2O3/c19-12-17(22)21-8-4-3-7-16(21)18(23-9-10-24-18)15-11-13-5-1-2-6-14(13)20-15/h1-2,5-6,11,16,20H,3-4,7-10,12H2"	C1CCN(C(C1)C2(OCCO2)C3=CC4=CC=CC=C4N3)C(=O)CCl	ZNHJMWXZCRMFGZ-UHFFFAOYSA-N
DG57701	N-(1H-Indol-2-yl(phenyl)(1-(phenylsulfonyl)-1H-indol-2-yl)methyl)benzenesulfonamide	392289	NSC692423; N-(1H-Indol-2-yl(phenyl)(1-(phenylsulfonyl)-1H-indol-2-yl)methyl)benzenesulfonamide; N-{1H-indol-2-yl(phenyl)[1-(phenylsulfonyl)-1H-indol-2-yl]methyl}benzenesulfonamide; CHEMBL1992841; MCULE-7258985428; NSC-692423; NCI60_033181; AQ-776/42801277; N-[[1-(benzenesulfonyl)indol-2-yl]-(1H-indol-2-yl)-phenyl-methyl]benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692423	.	.	.	.	617.7	C35H27N3O4S2	118	1180	7.1	44	2	5	8	"InChI=1S/C35H27N3O4S2/c39-43(40,29-18-6-2-7-19-29)37-35(28-16-4-1-5-17-28,33-24-26-14-10-12-22-31(26)36-33)34-25-27-15-11-13-23-32(27)38(34)44(41,42)30-20-8-3-9-21-30/h1-25,36-37H"	C1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N2)(C4=CC5=CC=CC=C5N4S(=O)(=O)C6=CC=CC=C6)NS(=O)(=O)C7=CC=CC=C7	CUBUZXNHXLGVLY-UHFFFAOYSA-N
DG57702	"2-[2-(2-pyridylmethyl)-1,3-dioxolan-2-yl]-1H-indole"	392296	"NSC692429; CHEMBL1966092; NSC-692429; NCI60_033187; 2-[2-(2-pyridylmethyl)-1,3-dioxolan-2-yl]-1H-indole; 2-(2-(2-Pyridinylmethyl)-1,3-dioxolan-2-yl)-1H-indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692429	.	.	.	.	280.32	C17H16N2O2	47.1	357	2.2	21	1	3	3	"InChI=1S/C17H16N2O2/c1-2-7-15-13(5-1)11-16(19-15)17(20-9-10-21-17)12-14-6-3-4-8-18-14/h1-8,11,19H,9-10,12H2"	C1COC(O1)(CC2=CC=CC=N2)C3=CC4=CC=CC=C4N3	IENHJUPAHKRBGX-UHFFFAOYSA-N
DG57703	"Dimethyl 4-(2,4-dimethoxyphenyl)-1-(4-methoxy-2-nitro-phenyl)-6-(p-tolyl)-4h-pyridine-2,3-dicarboxylate"	392298	"NSC692574; CHEMBL1990533; NSC-692574; dimethyl 4-(2,4-dimethoxyphenyl)-1-(4-methoxy-2-nitro-phenyl)-6-(p-tolyl)-4h-pyridine-2,3-dicarboxylate; NCI60_033189; Dimethyl 4-(2,4-dimethoxyphenyl)-1-(2-(hydroxy(oxido)amino)-4-methoxyphenyl)-6-(4-methylphenyl)-1,4-dihydro-2,3-pyridinedicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692574	.	.	.	.	574.6	C31H30N2O9	129	1050	5.7	42	0	10	10	"InChI=1S/C31H30N2O9/c1-18-7-9-19(10-8-18)25-17-23(22-13-11-21(39-3)16-27(22)40-4)28(30(34)41-5)29(31(35)42-6)32(25)24-14-12-20(38-2)15-26(24)33(36)37/h7-17,23H,1-6H3"	CC1=CC=C(C=C1)C2=CC(C(=C(N2C3=C(C=C(C=C3)OC)[N+](=O)[O-])C(=O)OC)C(=O)OC)C4=C(C=C(C=C4)OC)OC	PRRIZHZWKVBNTL-UHFFFAOYSA-N
DG57704	"2-(3-pyridyl)-1-(4-pyridyl)-4-(2-thienyl)-4H-furo[3,4-b]pyridine-5,7-dione"	392299	"NSC692575; CHEMBL2003104; NSC-692575; NCI60_033190; 2-(3-Pyridinyl)-1-(4-pyridinyl)-4-(2-thienyl)-1,4-dihydrofuro[3,4-b]pyridine-5,7-dione; 2-(3-pyridyl)-1-(4-pyridyl)-4-(2-thienyl)-4H-furo[3,4-b]pyridine-5,7-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692575	.	.	.	.	387.4	C21H13N3O3S	101	728	2.9	28	0	7	3	"InChI=1S/C21H13N3O3S/c25-20-18-15(17-4-2-10-28-17)11-16(13-3-1-7-23-12-13)24(19(18)21(26)27-20)14-5-8-22-9-6-14/h1-12,15H"	C1=CC(=CN=C1)C2=CC(C3=C(N2C4=CC=NC=C4)C(=O)OC3=O)C5=CC=CS5	LROWRALVPVZZDK-UHFFFAOYSA-N
DG57705	NSC692576	392300	"Methyl 2-[(2-chloro-3-pyridyl)carbamoyl]-4-(2,4-dimethoxyphenyl)-1-(4-methoxy-2-nitro-phenyl)-6-(p-tolyl)-4h-pyridine-3-carboxylate; NSC692576; CHEMBL1968223; NSC-692576; methyl 2-[(2-chloro-3-pyridyl)carbamoyl]-4-(2,4-dimethoxyphenyl)-1-(4-methoxy-2-nitro-phenyl)-6-(p-tolyl)-4h-pyridine-3-carboxylate; NCI60_033191; 3-Pyridinecarboxylic acid,4-dihydro- 4-(2,4-dimethoxyphenyl)-1-(4-methoxy-2-nitrophenyl)- 6-(4-methylphenyl)-, methyl ester; Methyl 2-(((2-chloro-3-pyridinyl)amino)carbonyl)-4-(2,4-dimethoxyphenyl)-1-(2-(hydroxy(oxido)amino)-4-methoxyphenyl)-6-(4-methylphenyl)-1,4-dihydro-3-pyridinecarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692576	.	.	.	.	671.1	C35H31ClN4O8	145	1220	6.6	48	1	10	10	"InChI=1S/C35H31ClN4O8/c1-20-8-10-21(11-9-20)28-19-25(24-14-12-23(46-3)18-30(24)47-4)31(35(42)48-5)32(34(41)38-26-7-6-16-37-33(26)36)39(28)27-15-13-22(45-2)17-29(27)40(43)44/h6-19,25H,1-5H3,(H,38,41)"	CC1=CC=C(C=C1)C2=CC(C(=C(N2C3=C(C=C(C=C3)OC)[N+](=O)[O-])C(=O)NC4=C(N=CC=C4)Cl)C(=O)OC)C5=C(C=C(C=C5)OC)OC	OCTDARMVCSNXNY-UHFFFAOYSA-N
DG57706	"2-(2-Furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4a,7a-dihydro-4h-furo[3,4-b]pyridine-5,7-dione"	392301	"NSC692577; CHEMBL1997225; NSC-692577; 2-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4a,7a-dihydro-4h-furo[3,4-b]pyridine-5,7-dione; NCI60_033192; 2-(2-Furyl)-4-(2-(hydroxy(oxido)amino)phenyl)-1-(4-pyridinyl)-1,4,4a,7a-tetrahydrofuro[3,4-b]pyridine-5,7-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692577	.	.	.	.	417.4	C22H15N3O6	119	774	2.9	31	0	8	3	"InChI=1S/C22H15N3O6/c26-21-19-15(14-4-1-2-5-16(14)25(28)29)12-17(18-6-3-11-30-18)24(20(19)22(27)31-21)13-7-9-23-10-8-13/h1-12,15,19-20H"	C1=CC=C(C(=C1)C2C=C(N(C3C2C(=O)OC3=O)C4=CC=NC=C4)C5=CC=CO5)[N+](=O)[O-]	DFISPJSMZMAQTE-UHFFFAOYSA-N
DG57707	"6-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-2,3-dicarboxylic acid"	392302	"NSC692578; CHEMBL2006772; NSC-692578; NCI60_033193; [1(4H),4'-Bipyridine]-2,3-dicarboxylic acid, 6-(2-furanyl)-4-(2-nitrophenyl)-; 6-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-2,3-dicarboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692578	.	.	.	.	433.4	C22H15N3O7	150	828	2.8	32	2	9	5	"InChI=1S/C22H15N3O7/c26-21(27)19-15(14-4-1-2-5-16(14)25(30)31)12-17(18-6-3-11-32-18)24(20(19)22(28)29)13-7-9-23-10-8-13/h1-12,15H,(H,26,27)(H,28,29)"	C1=CC=C(C(=C1)C2C=C(N(C(=C2C(=O)O)C(=O)O)C3=CC=NC=C3)C4=CC=CO4)[N+](=O)[O-]	XMAWITGDXLGXBE-UHFFFAOYSA-N
DG57708	"dimethyl 6-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-2,3-dicarboxylate"	392303	"NSC692579; CHEMBL1994713; NSC-692579; NCI60_033194; dimethyl 6-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-2,3-dicarboxylate; [1(4H),4'-Bipyridine]-2,3-dicarboxylic acid, 6-(2-furanyl)-4-(2-nitrophenyl)-, dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692579	.	.	.	.	461.4	C24H19N3O7	128	859	3.5	34	0	9	7	"InChI=1S/C24H19N3O7/c1-32-23(28)21-17(16-6-3-4-7-18(16)27(30)31)14-19(20-8-5-13-34-20)26(22(21)24(29)33-2)15-9-11-25-12-10-15/h3-14,17H,1-2H3"	COC(=O)C1=C(N(C(=CC1C2=CC=CC=C2[N+](=O)[O-])C3=CC=CO3)C4=CC=NC=C4)C(=O)OC	OPHUQPBNNIDRHB-UHFFFAOYSA-N
DG57709	NSC692580	392304	"6-(2-furyl)-2-[[2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-4-(2-nitrophenyl)-1-(4-pyridyl)-3,4-dihydro-2H-pyridine-3-carboxylic acid; NSC692580; CHEMBL2001620; NSC-692580; NCI60_033195; [1(2H),4'-Bipyridine]-3-carboxylic acid, 2-[[(1-carboxy-2-hydroxyethyl)amino]carbonyl]-6-(2-furanyl)-3,4-dihydro-4-(2-nitrophenyl)-; 6-(2-furyl)-2-[[2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-4-(2-nitrophenyl)-1-(4-pyridyl)-3,4-dihydro-2H-pyridine-3-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692580	.	.	.	.	522.5	C25H22N4O9	199	932	1.3	38	4	11	8	"InChI=1S/C25H22N4O9/c30-13-17(24(32)33)27-23(31)22-21(25(34)35)16(15-4-1-2-5-18(15)29(36)37)12-19(20-6-3-11-38-20)28(22)14-7-9-26-10-8-14/h1-12,16-17,21-22,30H,13H2,(H,27,31)(H,32,33)(H,34,35)"	C1=CC=C(C(=C1)C2C=C(N(C(C2C(=O)O)C(=O)NC(CO)C(=O)O)C3=CC=NC=C3)C4=CC=CO4)[N+](=O)[O-]	MFORGCBBPNSZSD-UHFFFAOYSA-N
DG57710	6-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-3-carboxylic acid	392306	"NSC692582; CHEMBL2003541; NSC-692582; NCI60_033197; [1(4H),4'-Bipyridine]-3-carboxylic acid, 6-(2-furanyl)-4-(2-nitrophenyl)-; 6-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-3-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692582	.	.	.	.	389.4	C21H15N3O5	112	695	3.1	29	1	7	4	"InChI=1S/C21H15N3O5/c25-21(26)17-13-23(14-7-9-22-10-8-14)19(20-6-3-11-29-20)12-16(17)15-4-1-2-5-18(15)24(27)28/h1-13,16H,(H,25,26)"	C1=CC=C(C(=C1)C2C=C(N(C=C2C(=O)O)C3=CC=NC=C3)C4=CC=CO4)[N+](=O)[O-]	UYWYEVMQWWMDHS-UHFFFAOYSA-N
DG57711	2-[1-[3-(4-Chlorophenyl)-2-hydroxy-5-(2-thienyl)phenyl]ethylidene]propanedioic acid	392308	"NSC692584; CHEMBL2003291; ZINC1858593; NSC-692584; NCI60_033199; 2-(1-(4'-Chloro-2-hydroxy-5-(2-thienyl)[1,1'-biphenyl]-3-yl)ethylidene)malonic acid; 2-[1-[3-(4-chlorophenyl)-2-hydroxy-5-(2-thienyl)phenyl]ethylidene]propanedioic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692584	.	.	.	.	414.9	C21H15ClO5S	123	612	6.6	28	3	6	5	"InChI=1S/C21H15ClO5S/c1-11(18(20(24)25)21(26)27)15-9-13(17-3-2-8-28-17)10-16(19(15)23)12-4-6-14(22)7-5-12/h2-10,23H,1H3,(H,24,25)(H,26,27)"	CC(=C(C(=O)O)C(=O)O)C1=CC(=CC(=C1O)C2=CC=C(C=C2)Cl)C3=CC=CS3	MHCOWAJOADANEY-UHFFFAOYSA-N
DG57712	"Ethyl 4-(2-(2-methoxyphenyl)-6-oxo-4-(2-thienyl)-1,4-cyclohexadien-1-yl)-2,4-dioxobutanoate"	392309	"NSC692585; CHEMBL1968783; NSC-692585; NCI60_033200; Ethyl 4-(2-(2-methoxyphenyl)-6-oxo-4-(2-thienyl)-1,4-cyclohexadien-1-yl)-2,4-dioxobutanoate; ethyl 4-[2-(2-methoxyphenyl)-6-oxo-4-(2-thienyl)cyclohexa-1,4-dien-1-yl]-2,4-dioxo-butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692585	.	.	.	.	424.5	C23H20O6S	115	781	3.3	30	0	7	9	"InChI=1S/C23H20O6S/c1-3-29-23(27)19(26)13-18(25)22-16(15-7-4-5-8-20(15)28-2)11-14(12-17(22)24)21-9-6-10-30-21/h4-10,12H,3,11,13H2,1-2H3"	CCOC(=O)C(=O)CC(=O)C1=C(CC(=CC1=O)C2=CC=CS2)C3=CC=CC=C3OC	YQEZFCQDIHTKMT-UHFFFAOYSA-N
DG57713	"Ethyl 8-(4-chlorophenyl)-4-methyl-2-oxo-6-(2-thienyl)-4a,7-dihydrochromene-3-carboxylate"	392311	"NSC692587; NSC-692587; CHEMBL573114; NCI60_033202; ethyl 8-(4-chlorophenyl)-4-methyl-2-oxo-6-(2-thienyl)-4a,7-dihydrochromene-3-carboxylate; Ethyl 8-(4-chlorophenyl)-4-methyl-2-oxo-6-(2-thienyl)-4a,7-dihydro-2H-chromene-3-carboxylate; ethyl-8-(4-chlorophenyl)-4-methyl-2-oxo-6-(thiophen-2-yl)-4a,7-dihydro-2H-chromene-3- carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692587	.	.	.	.	426.9	C23H19ClO4S	80.8	789	4.7	29	0	5	5	"InChI=1S/C23H19ClO4S/c1-3-27-22(25)20-13(2)17-11-15(19-5-4-10-29-19)12-18(21(17)28-23(20)26)14-6-8-16(24)9-7-14/h4-11,17H,3,12H2,1-2H3"	CCOC(=O)C1=C(C2C=C(CC(=C2OC1=O)C3=CC=C(C=C3)Cl)C4=CC=CS4)C	RLBODWIUAGVFRL-UHFFFAOYSA-N
DG57714	"2-(1-(3-(4-Chlorophenyl)-2-hydroxy-5-(2-thienyl)-2,5-cyclohexadien-1-yl)ethylidene)malonamide"	392312	"NSC692588; CHEMBL2002816; NSC-692588; NCI60_033203; 2-(1-(3-(4-Chlorophenyl)-2-hydroxy-5-(2-thienyl)-2,5-cyclohexadien-1-yl)ethylidene)malonamide; 2-[1-[3-(4-chlorophenyl)-2-hydroxy-5-(2-thienyl)cyclohexa-2,5-dien-1-yl]ethylidene]propanediamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692588	.	.	.	.	414.9	C21H19ClN2O3S	135	735	4.2	28	3	4	5	"InChI=1S/C21H19ClN2O3S/c1-11(18(20(23)26)21(24)27)15-9-13(17-3-2-8-28-17)10-16(19(15)25)12-4-6-14(22)7-5-12/h2-9,15,25H,10H2,1H3,(H2,23,26)(H2,24,27)"	CC(=C(C(=O)N)C(=O)N)C1C=C(CC(=C1O)C2=CC=C(C=C2)Cl)C3=CC=CS3	QINYNRKXUCSWJJ-UHFFFAOYSA-N
DG57715	ethyl N-[4-[(ethoxycarbonylamino)carbamoylamino]butylcarbamoylamino]carbamate	392327	"NSC692603; CHEMBL1979648; Diethyl 4,11-dioxo-2,3,5,10,12,13-hexaazatetradecane-1,14-dioate; ethyl N-[4-[(ethoxycarbonylamino)carbamoylamino]butylcarbamoylamino]carbamate; NSC-692603; NCI60_033218"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692603	.	.	.	.	348.36	C12H24N6O6	159	381	-0.2	24	6	6	9	"InChI=1S/C12H24N6O6/c1-3-23-11(21)17-15-9(19)13-7-5-6-8-14-10(20)16-18-12(22)24-4-2/h3-8H2,1-2H3,(H,17,21)(H,18,22)(H2,13,15,19)(H2,14,16,20)"	CCOC(=O)NNC(=O)NCCCCNC(=O)NNC(=O)OCC	OFLOHRWYAIBYGR-UHFFFAOYSA-N
DG57716	"Methyl 3,5-dioxo-4-phenyl-2-(phenylcarbamoyl)-1,2,4-triazolidine-1-carboxylate"	392337	"NSC692613; methyl 3,5-dioxo-4-phenyl-2-(phenylcarbamoyl)-1,2,4-triazolidine-1-carboxylate; CHEMBL1975526; NSC-692613; NCI60_033228; Methyl 2-(anilinocarbonyl)-3,5-dioxo-4-phenyl-1,2,4-triazolidine-1-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692613	.	.	.	.	354.32	C17H14N4O5	99.3	584	2.4	26	1	5	3	"InChI=1S/C17H14N4O5/c1-26-17(25)21-16(24)19(13-10-6-3-7-11-13)15(23)20(21)14(22)18-12-8-4-2-5-9-12/h2-11H,1H3,(H,18,22)"	COC(=O)N1C(=O)N(C(=O)N1C(=O)NC2=CC=CC=C2)C3=CC=CC=C3	BULYUSRLOVTUDE-UHFFFAOYSA-N
DG57717	tert-Butyl allyloxy(tert-butyl)carbamate	392340	NSC692616; CHEMBL1985230; NSC-692616; tert-Butyl allyloxy(tert-butyl)carbamate; NCI60_033231; tert-butyl N-allyloxy-N-tert-butyl-carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692616	.	.	.	.	229.32	C12H23NO3	38.8	248	2.8	16	0	3	6	"InChI=1S/C12H23NO3/c1-8-9-15-13(11(2,3)4)10(14)16-12(5,6)7/h8H,1,9H2,2-7H3"	CC(C)(C)N(C(=O)OC(C)(C)C)OCC=C	IXLZKHJLUMVROD-UHFFFAOYSA-N
DG57718	tert-Butyl 3-butenyloxy(phenyl)carbamate	392341	NSC692617; CHEMBL1978400; NSC-692617; tert-Butyl 3-butenyloxy(phenyl)carbamate; NCI60_033232; tert-butyl N-but-3-enoxy-N-phenyl-carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692617	.	.	.	.	263.33	C15H21NO3	38.8	290	3.8	19	0	3	7	"InChI=1S/C15H21NO3/c1-5-6-12-18-16(13-10-8-7-9-11-13)14(17)19-15(2,3)4/h5,7-11H,1,6,12H2,2-4H3"	CC(C)(C)OC(=O)N(C1=CC=CC=C1)OCCC=C	GUKTYOXQDWHXTQ-UHFFFAOYSA-N
DG57719	2-[(9-oxo-10H-acridine-4-carbonyl)amino]acetic acid	392348	NSC692632; CHEMBL1997557; NSC-692632; NCI60_033233	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692632	.	.	.	.	296.28	C16H12N2O4	95.5	479	1.8	22	3	5	3	"InChI=1S/C16H12N2O4/c19-13(20)8-17-16(22)11-6-3-5-10-14(11)18-12-7-2-1-4-9(12)15(10)21/h1-7H,8H2,(H,17,22)(H,18,21)(H,19,20)"	C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NCC(=O)O	ZAIUWDOPMPBUPY-UHFFFAOYSA-N
DG57720	2-[[4-[2-(Dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]acetic acid	392353	NSC692637; CHEMBL1998616; NSC-692637; NCI60_033238	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692637	.	.	.	.	366.4	C20H22N4O3	94.6	527	0.1	27	3	6	7	"InChI=1S/C20H22N4O3/c1-24(2)11-10-21-20(27)15-8-5-7-14-18(22-12-17(25)26)13-6-3-4-9-16(13)23-19(14)15/h3-9H,10-12H2,1-2H3,(H,21,27)(H,22,23)(H,25,26)"	CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NCC(=O)O	AWWPLGLGEOZNMG-UHFFFAOYSA-N
DG57721	5-(Diaminomethylideneamino)-2-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]pentanoic acid	392354	NSC692638; CHEMBL1969837; NSC-692638; NCI60_033239	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692638	.	.	.	.	465.5	C24H31N7O3	159	713	-0.7	34	5	7	11	"InChI=1S/C24H31N7O3/c1-31(2)14-13-27-22(32)17-9-5-8-16-20(15-7-3-4-10-18(15)29-21(16)17)30-19(23(33)34)11-6-12-28-24(25)26/h3-5,7-10,19H,6,11-14H2,1-2H3,(H,27,32)(H,29,30)(H,33,34)(H4,25,26,28)"	CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC(CCCN=C(N)N)C(=O)O	CGDAZLQATRHGFV-UHFFFAOYSA-N
DG57722	5-Amino-2-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]-5-oxopentanoic acid	392356	NSC692640; CHEMBL1983702; NSC-692640; NCI60_033241	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692640	.	.	.	.	437.5	C23H27N5O4	138	673	-0.6	32	4	7	10	"InChI=1S/C23H27N5O4/c1-28(2)13-12-25-22(30)16-8-5-7-15-20(27-18(23(31)32)10-11-19(24)29)14-6-3-4-9-17(14)26-21(15)16/h3-9,18H,10-13H2,1-2H3,(H2,24,29)(H,25,30)(H,26,27)(H,31,32)"	CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC(CCC(=O)N)C(=O)O	WZHAPCPAGDAPHU-UHFFFAOYSA-N
DG57723	2-[[4-[2-(Dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]-3-sulfanylpropanoic acid	392357	NSC692641; CHEMBL1970577; NSC-692641; NCI60_033242	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692641	.	.	.	.	412.5	C21H24N4O3S	95.6	576	0.5	29	4	7	8	"InChI=1S/C21H24N4O3S/c1-25(2)11-10-22-20(26)15-8-5-7-14-18(24-17(12-29)21(27)28)13-6-3-4-9-16(13)23-19(14)15/h3-9,17,29H,10-12H2,1-2H3,(H,22,26)(H,23,24)(H,27,28)"	CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC(CS)C(=O)O	KAYAWVSZNLTGMJ-UHFFFAOYSA-N
DG57724	2-(Acridine-9-carbonylamino)-3-sulfanylpropanoic acid	392362	NSC692646; CHEMBL1985340; NSC-692646; NCI60_033247	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692646	.	.	.	.	326.4	C17H14N2O3S	80.3	437	2.7	23	3	5	4	"InChI=1S/C17H14N2O3S/c20-16(19-14(9-23)17(21)22)15-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)15/h1-8,14,23H,9H2,(H,19,20)(H,21,22)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)NC(CS)C(=O)O	OXCSDOJUTUWUON-UHFFFAOYSA-N
DG57725	N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acridine-9-carboxamide	392363	NSC692647; CHEMBL1974999; NSC-692647; NCI60_033248	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692647	.	.	.	.	455.5	C24H17N5O3S	122	752	3.5	33	2	7	5	"InChI=1S/C24H17N5O3S/c30-23(22-18-6-1-3-8-20(18)28-21-9-4-2-7-19(21)22)27-16-10-12-17(13-11-16)33(31,32)29-24-25-14-5-15-26-24/h1-15H,(H,27,30)(H,25,26,29)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5	AWCZSYCCPWIDID-UHFFFAOYSA-N
DG57726	N-[4-(acetylsulfamoyl)phenyl]acridine-9-carboxamide	392367	NSC692651; CHEMBL1977690; NSC-692651; NCI60_033252	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692651	.	.	.	.	419.5	C22H17N3O4S	114	720	3.1	30	2	5	4	"InChI=1S/C22H17N3O4S/c1-14(26)25-30(28,29)16-12-10-15(11-13-16)23-22(27)21-17-6-2-4-8-19(17)24-20-9-5-3-7-18(20)21/h2-13H,1H3,(H,23,27)(H,25,26)"	CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C3C=CC=CC3=NC4=CC=CC=C42	GUVNXFAPTYIDAJ-UHFFFAOYSA-N
DG57727	"Acetic acid,16-c]pyrazol-3-yl ester"	392371	"NSC692655; CHEMBL1983110; Acetic acid,16-c]pyrazol-3-yl ester; NSC-692655; NCI60_033256; D-Homo-17a-aza-5-androsteno[17,2'-(4-fluorophenyl)-, acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692655	.	.	.	.	463.6	C28H34FN3O2	56.2	842	5.6	34	1	5	3	"InChI=1S/C28H34FN3O2/c1-17(33)34-22-10-12-27(2)19(15-22)4-9-23-24(27)11-13-28(3)25(23)14-18-16-30-32(26(18)31-28)21-7-5-20(29)6-8-21/h4-8,16,22-25,31H,9-15H2,1-3H3/t22 ,23-,24+,25+,27+,28+/m1/s1"	CC(=O)OC1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC5=C(N4)N(N=C5)C6=CC=C(C=C6)F)C)C	ZVSNDAMRBDBAIS-QDRNEQMHSA-N
DG57728	"1,5-Bis[6-amino-3-(chloromethyl)-2,3-dihydroindol-1-yl]pentane-1,5-dione"	392378	NSC692736; Neuro_000459; CHEMBL2000588; NSC-692736; NCI60_033263	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692736	.	.	.	.	461.4	C23H26Cl2N4O2	92.7	612	2	31	2	4	6	"InChI=1S/C23H26Cl2N4O2/c24-10-14-12-28(20-8-16(26)4-6-18(14)20)22(30)2-1-3-23(31)29-13-15(11-25)19-7-5-17(27)9-21(19)29/h4-9,14-15H,1-3,10-13,26-27H2"	C1C(C2=C(N1C(=O)CCCC(=O)N3CC(C4=C3C=C(C=C4)N)CCl)C=C(C=C2)N)CCl	YSHVFLMRNJXNHK-UHFFFAOYSA-N
DG57729	9-amino-5-methyl-N-(2-morpholin-4-ylethyl)acridine-4-carboxamide;hydrochloride	392379	NSC692737; CHEMBL1986109; NSC-692737	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692737	.	.	.	.	400.9	C21H25ClN4O2	80.5	510	.	28	3	5	4	"InChI=1S/C21H24N4O2.ClH/c1-14-4-2-5-15-18(22)16-6-3-7-17(20(16)24-19(14)15)21(26)23-8-9-25-10-12-27-13-11-25;/h2-7H,8-13H2,1H3,(H2,22,24)(H,23,26);1H"	CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCN4CCOCC4)N.Cl	AGZAORVYVPNNAM-UHFFFAOYSA-N
DG57730	NSC692753	392389	"(2R,3S,4S)-N'-[(3S,9S,12S,15R,18S,21S,22R)-9-(3-amino-3-oxopropyl)-15-[3-(diaminomethylideneamino)propyl]-18-(1-hydroxyethyl)-6-[(4-hydroxyphenyl)-methoxymethyl]-3,4,10,22-tetramethyl-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-4-[[(2R,3R,4S)-7-(diaminomethylideneamino)-2,3-dihydroxy-4-[[(2S)-2-[[(2R,3R,4S)-3-hydroxy-2,4,6-trimethylheptanoyl]amino]propanoyl]amino]heptanoyl]amino]-2,3-dimethylpentanediamide; Callipeltin A; NSC692753; SCHEMBL874442; CHEMBL1969485; NSC-692753; NCI60_033270"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692753	.	.	.	.	1505.8	C68H116N18O20	625	3040	-2.9	106	19	22	34	"InChI=1S/C68H116N18O20/c1-30(2)28-32(5)51(90)35(8)56(94)77-36(9)57(95)78-42(18-16-26-75-67(71)72)52(91)53(92)63(101)81-47(33(6)34(7)55(70)93)60(98)83-49-39(12)106-66(104)37(10)85(13)65(103)50(54(105-15)40-20-22-41(88)23-21-40)84-59(97)45(24-25-46(69)89)86(14)64(102)44(29-31(3)4)80-58(96)43(19-17-27-76-68(73)74)79-61(99)48(38(11)87)82-62(49)100/h20-23,30-39,42-45,47-54,87-88,90-92H,16-19,24-29H2,1-15H3,(H2,69,89)(H2,70,93)(H,77,94)(H,78,95)(H,79,99)(H,80,96)(H,81,101)(H,82,100)(H,83,98)(H,84,97)(H4,71,72,75)(H4,73,74,76)/t32-,33-,34+,35+,36-,37-,38 ,39+,42-,43+,44-,45-,47-,48-,49-,50 ,51+,52+,53+,54 /m0/s1"	C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NC(C(=O)N([C@H](C(=O)O1)C)C)C(C2=CC=C(C=C2)O)OC)CCC(=O)N)C)CC(C)C)CCCN=C(N)N)C(C)O)NC(=O)[C@H]([C@@H](C)[C@@H](C)C(=O)N)NC(=O)[C@@H]([C@@H]([C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)[C@@H]([C@@H](C)CC(C)C)O)O)O	UDTRUOCOOZKCCT-RICYRUERSA-N
DG57731	4-(Hexyloxy)-N-hydroxybenzamide	392390	NSC692754; CHEMBL1967924; 4-(Hexyloxy)-N-hydroxybenzamide; DTXSID10327836; 4-hexoxybenzenecarbohydroxamic acid; NSC-692754; 31792-05-9; NCI60_033271	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692754	.	.	.	.	237.29	C13H19NO3	58.6	213	3.2	17	2	3	7	"InChI=1S/C13H19NO3/c1-2-3-4-5-10-17-12-8-6-11(7-9-12)13(15)14-16/h6-9,16H,2-5,10H2,1H3,(H,14,15)"	CCCCCCOC1=CC=C(C=C1)C(=O)NO	JECHWTQWVCPLAW-UHFFFAOYSA-N
DG57732	3-((4-Bromobenzyl)oxy)-N-hydroxybenzamide	392392	NSC692756; CHEMBL1997732; BDBM50370176; NSC-692756; NCI60_033273; 3-((4-Bromobenzyl)oxy)-N-hydroxybenzamide; 3-[(4-bromophenyl)methoxy]benzenecarbohydroxamic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692756	.	.	.	.	322.15	C14H12BrNO3	58.6	292	2.9	19	2	3	4	"InChI=1S/C14H12BrNO3/c15-12-6-4-10(5-7-12)9-19-13-3-1-2-11(8-13)14(17)16-18/h1-8,18H,9H2,(H,16,17)"	C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Br)C(=O)NO	MGEKKIYVXAADOR-UHFFFAOYSA-N
DG57733	4-hexoxy-N-hydroxy-N-methyl-benzamide	392394	NSC692758; CHEMBL1972399; 4-hexoxy-N-hydroxy-N-methyl-benzamide; NSC-692758; 4-(Hexyloxy)-N-hydroxy-N-methylbenzamide; NCI60_033275	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692758	.	.	.	.	251.32	C14H21NO3	49.8	237	3.2	18	1	3	7	"InChI=1S/C14H21NO3/c1-3-4-5-6-11-18-13-9-7-12(8-10-13)14(16)15(2)17/h7-10,17H,3-6,11H2,1-2H3"	CCCCCCOC1=CC=C(C=C1)C(=O)N(C)O	YZLFSTNYDDARRX-UHFFFAOYSA-N
DG57734	4-((3-Chlorobenzyl)oxy)-N-hydroxy-N-methylbenzamide	392395	NSC692759; CHEMBL1980552; NSC-692759; NCI60_033276; 4-((3-Chlorobenzyl)oxy)-N-hydroxy-N-methylbenzamide; 4-[(3-chlorophenyl)methoxy]-N-hydroxy-N-methyl-benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692759	.	.	.	.	291.73	C15H14ClNO3	49.8	318	3	20	1	3	4	"InChI=1S/C15H14ClNO3/c1-17(19)15(18)12-5-7-14(8-6-12)20-10-11-3-2-4-13(16)9-11/h2-9,19H,10H2,1H3"	CN(C(=O)C1=CC=C(C=C1)OCC2=CC(=CC=C2)Cl)O	FABYPRVSADJAIE-UHFFFAOYSA-N
DG57735	4-(Benzyloxy)-N-hydroxybenzamide	392396	4-(Benzyloxy)-N-hydroxybenzamide; NSC692760; CHEMBL1996218; ZINC5579243; STL432251; 4-benzyloxybenzenecarbohydroxamic acid; AKOS025127507; NSC-692760; NCI60_033277; AP-970/43507308	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692760	.	.	.	.	243.26	C14H13NO3	58.6	256	2.2	18	2	3	4	"InChI=1S/C14H13NO3/c16-14(15-17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,15,16)"	C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NO	DKQPCTOULAMBDP-UHFFFAOYSA-N
DG57736	4-((3-Chlorobenzyl)oxy)-N-hydroxybenzamide	392397	NSC692761; CHEMBL1966218; NSC-692761; NCI60_033278; 4-((3-Chlorobenzyl)oxy)-N-hydroxybenzamide; 4-[(3-chlorophenyl)methoxy]benzenecarbohydroxamic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692761	.	.	.	.	277.7	C14H12ClNO3	58.6	292	2.8	19	2	3	4	"InChI=1S/C14H12ClNO3/c15-12-3-1-2-10(8-12)9-19-13-6-4-11(5-7-13)14(17)16-18/h1-8,18H,9H2,(H,16,17)"	C1=CC(=CC(=C1)Cl)COC2=CC=C(C=C2)C(=O)NO	IWGWEPJFTRRPKL-UHFFFAOYSA-N
DG57737	2-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxyacetamide	392399	NSC692763; CHEMBL1972488; NSC-692763; NCI60_033280; 2-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxyacetamide; 2-[4-[(3-chlorophenyl)methoxy]phenyl]ethanehydroxamic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692763	.	.	.	.	291.73	C15H14ClNO3	58.6	306	2.7	20	2	3	5	"InChI=1S/C15H14ClNO3/c16-13-3-1-2-12(8-13)10-20-14-6-4-11(5-7-14)9-15(18)17-19/h1-8,19H,9-10H2,(H,17,18)"	C1=CC(=CC(=C1)Cl)COC2=CC=C(C=C2)CC(=O)NO	NSKLOLDZYJQXAM-UHFFFAOYSA-N
DG57738	2-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxy-N-methylacetamide	392401	NSC692765; CHEMBL55620; BDBM50016683; NSC-692765; NCI60_033282; 2-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxy-N-methylacetamide; 2-[4-(3-Chloro-benzyloxy)-phenyl]-N-hydroxy-N-methyl-acetamide; 2-[4-[(3-chlorophenyl)methoxy]phenyl]-N-hydroxy-N-methyl-acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692765	.	.	.	.	305.75	C16H16ClNO3	49.8	332	2.9	21	1	3	5	"InChI=1S/C16H16ClNO3/c1-18(20)16(19)10-12-5-7-15(8-6-12)21-11-13-3-2-4-14(17)9-13/h2-9,20H,10-11H2,1H3"	CN(C(=O)CC1=CC=C(C=C1)OCC2=CC(=CC=C2)Cl)O	JCXGUOPPEAUVFZ-UHFFFAOYSA-N
DG57739	"3-Amino-2-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one"	392508	"NSC693025; CHEMBL1990540; NSC-693025; 3-amino-2-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one; NCI60_033304; 3-Amino-2-(3,5-dimethoxyphenyl)-7-(hydroxy(oxido)amino)-4-(4-methoxyphenyl)-1(2H)-isoquinolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693025	.	.	.	.	447.4	C24H21N3O6	120	748	3.5	33	1	7	5	"InChI=1S/C24H21N3O6/c1-31-17-7-4-14(5-8-17)22-20-9-6-15(27(29)30)12-21(20)24(28)26(23(22)25)16-10-18(32-2)13-19(11-16)33-3/h4-13H,25H2,1-3H3"	COC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC(=CC(=C4)OC)OC)N	JRUNGKHANWHDCH-UHFFFAOYSA-N
DG57740	"5-(2-Fluoroethoxy)benzimidazolo[1,2-a]quinoline-6-carbonitrile"	392512	"NSC693029; CHEMBL2001386; 5-(2-fluoroethoxy)benzimidazolo[1,2-a]quinoline-6-carbonitrile; NSC-693029; NCI60_033308; Benzimidazo[1,2-a]quinoline-6-carbonitrile, 5-(2-fluoroethoxy)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693029	.	.	.	.	305.3	C18H12FN3O	50.3	478	4.6	23	0	4	3	"InChI=1S/C18H12FN3O/c19-9-10-23-17-12-5-1-3-7-15(12)22-16-8-4-2-6-14(16)21-18(22)13(17)11-20/h1-8H,9-10H2"	C1=CC=C2C(=C1)C(=C(C3=NC4=CC=CC=C4N23)C#N)OCCF	IHNQBYQGGNYXNV-UHFFFAOYSA-N
DG57741	Methyl 2-[1-(benzenesulfonyl)indol-2-yl]prop-2-enoate	392519	NSC693035; CHEMBL1984828; methyl 2-[1-(benzenesulfonyl)indol-2-yl]prop-2-enoate; NSC-693035; NCI60_033314; Methyl 2-(1-(phenylsulfonyl)-1H-indol-2-yl)acrylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693035	.	.	.	.	341.4	C18H15NO4S	73.8	589	3.7	24	0	4	5	"InChI=1S/C18H15NO4S/c1-13(18(20)23-2)17-12-14-8-6-7-11-16(14)19(17)24(21,22)15-9-4-3-5-10-15/h3-12H,1H2,2H3"	COC(=O)C(=C)C1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3	XUYDGZPYHLHIDJ-UHFFFAOYSA-N
DG57742	"2-(3-Nitrophenyl)-5,10-dihydroimidazo[1,2-b]isoquinoline"	392521	"NSC693037; 2-(3-nitrophenyl)-5,10-dihydroimidazo[1,2-b]isoquinoline; 2-{3-nitrophenyl}-5,10-dihydroimidazo[1,2-b]isoquinoline; CHEMBL1965308; ZINC337641; NSC-693037; NCI60_033316; AQ-776/42801162; 2-(3-(Hydroxy(oxido)amino)phenyl)-5,10-dihydroimidazo[1,2-b]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693037	.	.	.	.	291.3	C17H13N3O2	63.6	425	3.1	22	0	3	1	"InChI=1S/C17H13N3O2/c21-20(22)15-7-3-6-13(8-15)16-11-19-10-14-5-2-1-4-12(14)9-17(19)18-16/h1-8,11H,9-10H2"	C1C2=CC=CC=C2CN3C1=NC(=C3)C4=CC(=CC=C4)[N+](=O)[O-]	LBRLJERWEFMOLH-UHFFFAOYSA-N
DG57743	"Dimethyl pyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate"	392522	"NSC693038; Dimethyl pyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate; CHEMBL1968976; NSC-693038; NCI60_033317; Pyrazolo[5,1-a]isoquinoline-1,2-dicarboxylic acid dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693038	.	.	.	.	284.27	C15H12N2O4	69.9	428	2.4	21	0	5	4	"InChI=1S/C15H12N2O4/c1-20-14(18)11-12(15(19)21-2)16-17-8-7-9-5-3-4-6-10(9)13(11)17/h3-8H,1-2H3"	COC(=O)C1=C2C3=CC=CC=C3C=CN2N=C1C(=O)OC	NWHYHIXMTLVDAE-UHFFFAOYSA-N
DG57744	Methyl (1-benzoyl-5-ethyl-2-(1H-indol-3-ylmethyl)-3-oxo-4-piperidinyl)acetate	392527	NSC693043; CHEMBL1997641; NSC-693043; NCI60_033322; Methyl (1-benzoyl-5-ethyl-2-(1H-indol-3-ylmethyl)-3-oxo-4-piperidinyl)acetate; methyl 2-[1-benzoyl-5-ethyl-2-(1H-indol-3-ylmethyl)-3-oxo-4-piperidyl]acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693043	.	.	.	.	432.5	C26H28N2O4	79.5	689	4.1	32	1	4	7	"InChI=1S/C26H28N2O4/c1-3-17-16-28(26(31)18-9-5-4-6-10-18)23(25(30)21(17)14-24(29)32-2)13-19-15-27-22-12-8-7-11-20(19)22/h4-12,15,17,21,23,27H,3,13-14,16H2,1-2H3"	CCC1CN(C(C(=O)C1CC(=O)OC)CC2=CNC3=CC=CC=C32)C(=O)C4=CC=CC=C4	LQPFWHUHISWTOT-UHFFFAOYSA-N
DG57745	"2,2,2-Trichloro-1-(5-(3-methyl-5-isoxazolyl)-1H-pyrrol-2-yl)ethanone"	392533	"NSC693049; CHEMBL1978605; NSC-693049; NCI60_033328; 2,2,2-Trichloro-1-(5-(3-methyl-5-isoxazolyl)-1H-pyrrol-2-yl)ethanone; 2,2,2-trichloro-1-[5-(3-methylisoxazol-5-yl)-1H-pyrrol-2-yl]ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693049	.	.	.	.	293.5	C10H7Cl3N2O2	58.9	308	3.1	17	1	3	2	"InChI=1S/C10H7Cl3N2O2/c1-5-4-8(17-15-5)6-2-3-7(14-6)9(16)10(11,12)13/h2-4,14H,1H3"	CC1=NOC(=C1)C2=CC=C(N2)C(=O)C(Cl)(Cl)Cl	GHWKTZLPCIUYAV-UHFFFAOYSA-N
DG57746	(4Z)-2-phenyl-4-pyrrolidin-2-ylidene-5-(1H-pyrrol-2-yl)pyrazol-3-one	392534	"NSC693050; CHEMBL1975633; NSC-693050; NCI60_033329; (4Z)-2-phenyl-4-pyrrolidin-2-ylidene-5-(1H-pyrrol-2-yl)pyrazol-3-one; 2-Phenyl-4-(2-pyrrolidinylidene)-5-(1H-pyrrol-2-yl)-2,4-dihydro-3H-pyrazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693050	.	.	.	.	292.33	C17H16N4O	60.5	519	1.9	22	2	3	3	"InChI=1S/C17H16N4O/c22-17-15(13-8-4-10-18-13)16(14-9-5-11-19-14)20-21(17)12-6-2-1-3-7-12/h1-3,5-7,9,11,19-20H,4,8,10H2"	C1CC(=NC1)C2=C(NN(C2=O)C3=CC=CC=C3)C4=CC=CN4	ZCOABKTZTXMCIL-UHFFFAOYSA-N
DG57747	"[2-[1-(6-Benzyl-5-methyl-2,4-dioxo-pyrimidin-1-yl)ethoxy]ethyl-phenoxycarbonyl-amino] phenyl carbonate"	392545	"NSC693088; CHEMBL2001069; NSC-693088; NCI60_033337; [2-[1-(6-benzyl-5-methyl-2,4-dioxo-pyrimidin-1-yl)ethoxy]ethyl-phenoxycarbonyl-amino] phenyl carbonate; 6-Benzyl-5-methyl-2,4-dioxo-1-(1-(2-((phenoxycarbonyl)((phenoxycarbonyl)oxy)amino)ethoxy)ethyl)-1,2,3,4-tetrahydropyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693088	.	.	.	.	559.6	C30H29N3O8	124	951	5.4	41	1	8	13	"InChI=1S/C30H29N3O8/c1-21-26(20-23-12-6-3-7-13-23)33(28(35)31-27(21)34)22(2)38-19-18-32(29(36)39-24-14-8-4-9-15-24)41-30(37)40-25-16-10-5-11-17-25/h3-17,22H,18-20H2,1-2H3,(H,31,34,35)"	CC1=C(N(C(=O)NC1=O)C(C)OCCN(C(=O)OC2=CC=CC=C2)OC(=O)OC3=CC=CC=C3)CC4=CC=CC=C4	SZHWNXZOOPAZMP-UHFFFAOYSA-N
DG57748	NSC693117	392570	"15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione; NSC693117; CHEMBL86287; NSC-693117; NCI60_033348; 2-dimethylaminoethyl-(2-dimethylaminoethylamino)[ ]trione; 2-(2-(Dimethylamino)ethyl)-6-((2-(dimethylamino)ethyl)amino)-1H,7H-pyrimido[5,6,1-de]acridine-1,3,7(2H)-trione; 6-[2-(Dimethylamino)ethylamino]-2-[2-(dimethylamino)ethyl]-1H,7H-pyrimido[5,6,1-de]acridine-1,3,7(2H)-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693117	.	.	.	.	421.5	C23H27N5O3	76.2	711	2.5	31	1	6	7	"InChI=1S/C23H27N5O3/c1-25(2)12-11-24-17-10-9-16-20-19(17)21(29)15-7-5-6-8-18(15)28(20)23(31)27(22(16)30)14-13-26(3)4/h5-10,24H,11-14H2,1-4H3"	CN(C)CCNC1=C2C3=C(C=C1)C(=O)N(C(=O)N3C4=CC=CC=C4C2=O)CCN(C)C	ARUURMIALVSXPW-UHFFFAOYSA-N
DG57749	NSC693118	392571	"15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethyl-methylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione; NSC693118; CHEMBL84219; NSC-693118; NCI60_033349; 2-dimethylaminoethyl-[2-dimethylaminoethyl(methyl)amino][ ]trione; 2-(2-(Dimethylamino)ethyl)-6-((2-(dimethylamino)ethyl)(methyl)amino)-1H,7H-pyrimido[5,6,1-de]acridine-1,3,7(2H)-trione; 6-[Methyl[2-(dimethylamino)ethyl]amino]-2-[2-(dimethylamino)ethyl]-1H,7H-pyrimido[5,6,1-de]acridine-1,3,7(2H)-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693118	.	.	.	.	435.5	C24H29N5O3	67.4	741	2.1	32	0	6	7	"InChI=1S/C24H29N5O3/c1-25(2)12-14-27(5)19-11-10-17-21-20(19)22(30)16-8-6-7-9-18(16)29(21)24(32)28(23(17)31)15-13-26(3)4/h6-11H,12-15H2,1-5H3"	CN(C)CCN1C(=O)C2=C3C(=C(C=C2)N(C)CCN(C)C)C(=O)C4=CC=CC=C4N3C1=O	PLNMWNSPPNPJPB-UHFFFAOYSA-N
DG57750	NSC693119	392572	"15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione; NSC693119; CHEMBL186436; NSC-693119; NCI60_033350; 2-dimethylaminoethyl-(2-dimethylaminoethylamino)-hydroxy-[ ]trione; 2-(2-(Dimethylamino)ethyl)-6-((2-(dimethylamino)ethyl)amino)-9-hydroxy-1H,7H-pyrimido[5,6,1-de]acridine-1,3,7(2H)-trione; 6-[2-(Dimethylamino)ethylamino]-9-hydroxy-2-[2-(dimethylamino)ethyl]-1H,7H-pyrimido[5,6,1-de]acridine-1,3,7(2H)-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693119	.	.	.	.	437.5	C23H27N5O4	96.4	744	2.1	32	2	7	7	"InChI=1S/C23H27N5O4/c1-25(2)10-9-24-17-7-6-15-20-19(17)21(30)16-13-14(29)5-8-18(16)28(20)23(32)27(22(15)31)12-11-26(3)4/h5-8,13,24,29H,9-12H2,1-4H3"	CN(C)CCNC1=C2C3=C(C=C1)C(=O)N(C(=O)N3C4=C(C2=O)C=C(C=C4)O)CCN(C)C	LZUSOTZODKLCQV-UHFFFAOYSA-N
DG57751	NSC693120	392573	"15-[2-(Dimethylamino)ethyl]-5-hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione; NSC693120; Neuro_000462; CHEMBL83128; NSC-693120; NCI60_033351; 2-dimethylaminoethyl-hydroxy-[2-(2-hydroxyethylamino)ethylamino][ ]trione; 2-(2-(Dimethylamino)ethyl)-9-hydroxy-6-((2-((2-hydroxyethyl)amino)ethyl)amino)-1H,7H-pyrimido[5,6,1-de]acridine-1,3,7(2H)-trione; 6-[2-[(2-Hydroxyethyl)amino]ethylamino]-9-hydroxy-2-[2-(dimethylamino)ethyl]-1H,7H-pyrimido[5,6,1-de]acridine-1,3,7(2H)-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693120	.	.	.	.	453.5	C23H27N5O5	125	749	1	33	4	8	9	"InChI=1S/C23H27N5O5/c1-26(2)10-11-27-22(32)15-4-5-17(25-8-7-24-9-12-29)19-20(15)28(23(27)33)18-6-3-14(30)13-16(18)21(19)31/h3-6,13,24-25,29-30H,7-12H2,1-2H3"	CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCNCCO)C(=O)C4=C(N3C1=O)C=CC(=C4)O	XEVGUVJEJMWICA-UHFFFAOYSA-N
DG57752	"N,N'-bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]pentanediamide"	392579	"NSC693126; CHEMBL1977980; NSC-693126; N,N'-bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]pentanediamide; NCI60_033357; 12,12'-[Trimethylenebis(carbonylimino-4,1-phenylene)]bis[8,9-dihydro-9,9-dimethylbenzo[a]acridine-11(10H)-one]; Pentanedioic acid bis-{[4-(9,9-dimethyl-11-oxo-8,9,10,11-tetrahydro-benzo[a]acridin-12-yl)-phenyl]-amide}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693126	.	.	.	.	829	C55H48N4O4	118	1560	10.4	63	2	6	8	"InChI=1S/C55H48N4O4/c1-54(2)28-42-52(44(60)30-54)48(50-38-12-7-5-10-32(38)20-26-40(50)58-42)34-16-22-36(23-17-34)56-46(62)14-9-15-47(63)57-37-24-18-35(19-25-37)49-51-39-13-8-6-11-33(39)21-27-41(51)59-43-29-55(3,4)31-45(61)53(43)49/h5-8,10-13,16-27H,9,14-15,28-31H2,1-4H3,(H,56,62)(H,57,63)"	CC1(CC2=NC3=C(C4=CC=CC=C4C=C3)C(=C2C(=O)C1)C5=CC=C(C=C5)NC(=O)CCCC(=O)NC6=CC=C(C=C6)C7=C8C(=NC9=C7C1=CC=CC=C1C=C9)CC(CC8=O)(C)C)C	VFCXWZLOHQJNJB-UHFFFAOYSA-N
DG57753	"2,3-Dimethoxy-5,6-dihydro-isoquino[3,2-a]isoquinolin-8-one"	392604	"NSC693144; CHEMBL2007134; ZINC338367; NSC-693144; NCI60_033375; 2,3-Dimethoxy-5,6-dihydro-isoquino[3,2-a]isoquinolin-8-one; 2,3-dimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-8-one; 5,6-Dihydro-2,3-dimethoxy-8H-dibenzo[a,g]quinolizin-8-one; 2,3-dimethoxy-5,6-dihydro-8h-isoquino[3,2-a]-isoquinolin-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693144	.	.	.	.	307.3	C19H17NO3	38.8	503	3.1	23	0	3	2	"InChI=1S/C19H17NO3/c1-22-17-10-13-7-8-20-16(15(13)11-18(17)23-2)9-12-5-3-4-6-14(12)19(20)21/h3-6,9-11H,7-8H2,1-2H3"	COC1=C(C=C2C(=C1)CCN3C2=CC4=CC=CC=C4C3=O)OC	DJFADVSFIUADMV-UHFFFAOYSA-N
DG57754	"2,3,10,11-Tetramethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-8-one"	392605	"NSC693145; 8-oxopseudopalmatine; 8-Oxypseudopalmatine; CHEMBL1407265; ZINC689942; NSC-693145; NCGC00160189-01; NCI60_033376; NCGC00160189-01!8-OXO-PSEUDOPALMATINE; 8H-Dibenzo[a, 5,6-dihydro- 2,3,10,11-tetramethoxy-; 2,3,10,11-Tetramethoxy-5,6-dihydro-isoquino[3,2-a]isoquinolin-8-one; 2,3,10,11-tetramethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693145	.	.	.	.	367.4	C21H21NO5	57.2	593	3.1	27	0	5	4	"InChI=1S/C21H21NO5/c1-24-17-8-12-5-6-22-16(14(12)10-19(17)26-3)7-13-9-18(25-2)20(27-4)11-15(13)21(22)23/h7-11H,5-6H2,1-4H3"	COC1=C(C=C2C(=C1)CCN3C2=CC4=CC(=C(C=C4C3=O)OC)OC)OC	RNYYLJRCLSSAOZ-UHFFFAOYSA-N
DG57755	"2-Methoxy-5,7,8,13,13a,14-hexahydroisoquino[3,2-b][3]benzazepine"	392606	"NSC693146; CHEMBL1979965; 2-Methoxy-5,7,8,13,13a,14-hexahydroisoquino[3,2-b][3]benzazepine; 2-methoxy-5,7,8,13,13a,14-hexahydroisoquinolino[3,2-b][3]benzazepine; NSC-693146; NCI60_033377; 5,7,8,13,13a,14-Hexahydroisoquino[3,2-b][3]benzazepin-2-yl methyl ether; 8-Methoxy-5,5a,6,11,12,13-hexahydro-11a-aza-11aH-benzo[4,5]cyclohepta[1,2-b]naphthalene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693146	.	.	.	.	279.4	C19H21NO	12.5	358	3.8	21	0	2	1	"InChI=1S/C19H21NO/c1-21-19-7-6-16-13-20-9-8-14-4-2-3-5-15(14)10-18(20)11-17(16)12-19/h2-7,12,18H,8-11,13H2,1H3"	COC1=CC2=C(CN3CCC4=CC=CC=C4CC3C2)C=C1	VFCXCFPRBFQFOF-UHFFFAOYSA-N
DG57756	"6,6-Bis(p-methoxyphenyl)fulvene"	392607	"6,6-bis(p-methoxyphenyl)fulvene; 15972-55-1; NSC693147; 1,1'-(cyclopenta-2,4-dien-1-ylidenemethanediyl)bis(4-methoxybenzene); 1-[cyclopenta-2,4-dien-1-ylidene-(4-methoxyphenyl)methyl]-4-methoxybenzene; Benzene, 1,1'-(2,4-cyclopentadien-1-ylidenemethylene)bis[4-methoxy-; SCHEMBL2492069; CHEMBL1966140; DTXSID00327840; ZINC1127954; MFCD05801607; STK279206; AKOS000369467; MCULE-6692384842; NSC-693147; NCI60_033378; DB-081748; FT-0765553; 1-(2,4-Cyclopentadien-1-ylidene(4-methoxyphenyl)methyl)-4-methoxybenzene; 1-[cyclopenta-2,4-dien-1-ylidene-(4-methoxyphenyl)methyl]-4-methoxy-benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693147	.	.	.	.	290.4	C20H18O2	18.5	404	5.3	22	0	2	4	"InChI=1S/C20H18O2/c1-21-18-11-7-16(8-12-18)20(15-5-3-4-6-15)17-9-13-19(22-2)14-10-17/h3-14H,1-2H3"	COC1=CC=C(C=C1)C(=C2C=CC=C2)C3=CC=C(C=C3)OC	ZTPIYEQWTZQQCA-UHFFFAOYSA-N
DG57757	NSC693167	392611	"[3-Azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate; NSC693167; CHEMBL1999781; NSC-693167; NCI60_033379"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693167	.	.	.	.	575.4	C19H23FN7O11P	208	1220	-1.6	39	4	14	9	"InChI=1S/C19H23FN7O11P/c1-8-4-26(18(31)22-16(8)29)14-2-10(24-25-21)12(37-14)6-35-39(33,34)36-7-13-11(28)3-15(38-13)27-5-9(20)17(30)23-19(27)32/h4-5,10-15,28H,2-3,6-7H2,1H3,(H,33,34)(H,22,29,31)(H,23,30,32)"	CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)O)N=[N+]=[N-]	CJLKHLDYMRNMRB-UHFFFAOYSA-N
DG57758	NSC693169	392613	"[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate; MLS002702412; SMR001565974; NSC693169; cid_392613; CHEMBL1715183; BDBM80994; NSC-693169; [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate; NCI60_033381; [3,4-dihydroxy-5-[2-keto-4-(stearylamino)pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl [5-(5-fluoro-2,4-diketo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate; [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxo-1-pyrimidinyl]-2-oxolanyl]methyl [5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl hydrogen phosphate; [5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl [5-[4-(octadecylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693169	.	.	.	.	803.9	C36H59FN5O12P	229	1400	4.4	55	6	13	26	"InChI=1S/C36H59FN5O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-38-29-18-20-41(35(47)39-29)34-32(45)31(44)28(54-34)24-52-55(49,50)51-23-27-26(43)21-30(53-27)42-22-25(37)33(46)40-36(42)48/h18,20,22,26-28,30-32,34,43-45H,2-17,19,21,23-24H2,1H3,(H,49,50)(H,38,39,47)(H,40,46,48)"	CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)O)O)O	WDHQBQJQPYACSM-UHFFFAOYSA-N
DG57759	CID 392616	392616	NSC693172; MLS002702413; SMR001565975; CHEMBL1717770; NSC-693172	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693172	.	.	.	.	414.1	C25H45ClFN	0	320	.	28	0	2	17	"InChI=1S/C25H45FN.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27(2,3)23-24-18-20-25(26)21-19-24;/h18-21H,4-17,22-23H2,1-3H3;1H/q+1;/p-1"	CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)F.[Cl-]	QOPNBGVTLMPSKY-UHFFFAOYSA-M
DG57760	"Ethyl 2-(5-methoxy-1-methyl-4,7-dioxoindol-3-yl)thiazole-4-carboxylate"	392618	"NSC693177; CHEMBL8697; NSC-693177; NCI60_033385; Ethyl 2-(5-methoxy-1-methyl-4,7-dioxoindol-3-yl)thiazole-4-carboxylate; 2-[(1-Methyl-4,7-dioxo-5-methoxy-4,7-dihydro-1H-indol)-3-yl]thiazole-4-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693177	.	.	.	.	346.4	C16H14N2O5S	116	593	2	24	0	7	5	"InChI=1S/C16H14N2O5S/c1-4-23-16(21)9-7-24-15(17-9)8-6-18(2)13-10(19)5-11(22-3)14(20)12(8)13/h5-7H,4H2,1-3H3"	CCOC(=O)C1=CSC(=N1)C2=CN(C3=C2C(=O)C(=CC3=O)OC)C	URTSZPDLWLNZKK-UHFFFAOYSA-N
DG57761	"2-(5-Methoxy-1-methyl-4,7-dioxoindol-3-yl)-4-methylthiazole"	392619	"NSC693178; CHEMBL8962; NSC-693178; NCI60_033386; 1H-Indole-4, 5-methoxy-1-methyl-3-(4-methyl-2-thiazolyl)-; 2-(5-Methoxy-1-methyl-4,7-dioxoindol-3-yl)-4-methylthiazole; 1-Methyl-3-(4-methyl-2-thiazolyl)-5-methoxy-1H-indole-4,7-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693178	.	.	.	.	288.32	C14H12N2O3S	89.4	479	1.8	20	0	5	2	"InChI=1S/C14H12N2O3S/c1-7-6-20-14(15-7)8-5-16(2)12-9(17)4-10(19-3)13(18)11(8)12/h4-6H,1-3H3"	CC1=CSC(=N1)C2=CN(C3=C2C(=O)C(=CC3=O)OC)C	XAOBFMXDNXHENE-UHFFFAOYSA-N
DG57762	"2-(5-Amino-1-methyl-4,7-dioxoindol-3-yl)-4-methylthiazole"	392620	"NSC693179; CHEMBL267993; NSC-693179; NCI60_033387; 1H-Indole-4, 5-amino-1-methyl-3-(4-methyl-2-thiazolyl)-; 2-(5-Amino-1-methyl-4,7-dioxoindol-3-yl)-4-methylthiazole; 1-Methyl-3-(4-methyl-2-thiazolyl)-5-amino-1H-indole-4,7-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693179	.	.	.	.	273.31	C13H11N3O2S	106	465	1.1	19	1	5	1	"InChI=1S/C13H11N3O2S/c1-6-5-19-13(15-6)7-4-16(2)11-9(17)3-8(14)12(18)10(7)11/h3-5H,14H2,1-2H3"	CC1=CSC(=N1)C2=CN(C3=C2C(=O)C(=CC3=O)N)C	INIMYFRKXZWMNQ-UHFFFAOYSA-N
DG57763	"4-(5-Methoxy-1-methyl-4,7-dioxoindol-3-yl)-2-methylthiazole"	392621	"NSC693180; CHEMBL1982173; NSC-693180; NCI60_033388; 1H-Indole-4, 5-methoxy-1-methyl-3-(2-methyl-4-thiazolyl)-; 4-(5-Methoxy-1-methyl-4,7-dioxoindol-3-yl)-2-methylthiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693180	.	.	.	.	288.32	C14H12N2O3S	89.4	479	1.8	20	0	5	2	"InChI=1S/C14H12N2O3S/c1-7-15-9(6-20-7)8-5-16(2)13-10(17)4-11(19-3)14(18)12(8)13/h4-6H,1-3H3"	CC1=NC(=CS1)C2=CN(C3=C2C(=O)C(=CC3=O)OC)C	MNQRISIHUPZBEY-UHFFFAOYSA-N
DG57765	NSC693185	392623	"2-[[(3S,8S,9S,10R,11S,13S,14S,16S,17R)-3,11-dihydroxy-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-methyloxane-3,4,5-triol; NSC693185; CHEMBL1971135; NSC-693185; NCI60_033389"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693185	.	.	.	.	580.8	C33H56O8	140	956	3.2	41	6	8	7	"InChI=1S/C33H56O8/c1-16(2)7-10-23(35)17(3)26-25(41-31-30(39)29(38)28(37)18(4)40-31)14-22-21-9-8-19-13-20(34)11-12-32(19,5)27(21)24(36)15-33(22,26)6/h8,16-18,20-31,34-39H,7,9-15H2,1-6H3/t17-,18 ,20+,21+,22+,23+,24+,25+,26+,27-,28 ,29 ,30 ,31 ,32+,33+/m1/s1"	CC1C(C(C(C(O1)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@@]5([C@H]4[C@H](C[C@@]3([C@H]2[C@H](C)[C@H](CCC(C)C)O)C)O)C)O)O)O)O	YCZAEBFSTKVRIP-UQNCHJDOSA-N
DG57766	"Ethyl 9,9,12-trimethyl-9,12-dihydrofuro[4,3,2-mn]pyrano[2,3-c]acridine-5-carboxylate"	392635	"NSC693215; ethyl trimethyl[ ]carboxylate; CHEMBL1971704; NSC-693215; Ethyl 9,9,12-trimethyl-9,12-dihydrofuro[4,3,2-mn]pyrano[2,3-c]acridine-5-carboxylate; NCI60_033398; 6,13,13-Trimethyl-4,5-(epoxy[2]propeno)-6H-furo[2,3,4-kl]acridine-1-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693215	.	.	.	.	375.4	C23H21NO4	51.9	661	5.2	28	0	5	3	"InChI=1S/C23H21NO4/c1-5-26-22(25)21-18-13-8-6-7-9-15(13)24(4)20-14-10-11-23(2,3)28-16(14)12-17(27-21)19(18)20/h6-12H,5H2,1-4H3"	CCOC(=O)C1=C2C3=CC=CC=C3N(C4=C2C(=CC5=C4C=CC(O5)(C)C)O1)C	KFCITKIECFELNF-UHFFFAOYSA-N
DG57767	"1,6-Bis(2-tert-butylphenyl)-1H-indolo[5,4,3-def]isoquinoline-2,5,7(6H)-trione"	392636	"NSC693216; CHEMBL2004196; bis(2-tert-butylphenyl)[ ]trione; NSC-693216; 1,6-Bis(2-tert-butylphenyl)-1H-indolo[5,4,3-def]isoquinoline-2,5,7(6H)-trione; NCI60_033399"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693216	.	.	.	.	502.6	C33H30N2O3	57.7	976	7.7	38	0	3	4	"InChI=1S/C33H30N2O3/c1-32(2,3)22-11-7-9-13-24(22)34-26-18-17-20-27-19(15-16-21(28(26)27)29(34)36)30(37)35(31(20)38)25-14-10-8-12-23(25)33(4,5)6/h7-18H,1-6H3"	CC(C)(C)C1=CC=CC=C1N2C3=CC=C4C5=C(C=CC(=C35)C2=O)C(=O)N(C4=O)C6=CC=CC=C6C(C)(C)C	NCICBBPVHVNRCC-UHFFFAOYSA-N
DG57768	"(3R)-N-Methyl-N-(3,4-dimethoxyphenethyl)-3-phenyl-3-cyano-3-(3,4-dimethoxyphenyl)propionamide"	392647	"NSC693226; CHEMBL1999471; NSC-693226; NCI60_033409; (3R)-N-Methyl-N-(3,4-dimethoxyphenethyl)-3-phenyl-3-cyano-3-(3,4-dimethoxyphenyl)propionamide; 3-Cyano-3-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-N-methyl-3-phenylpropanamide; 3-cyano-3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenyl-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693226	.	.	.	.	488.6	C29H32N2O5	81	732	4.4	36	0	6	11	"InChI=1S/C29H32N2O5/c1-31(16-15-21-11-13-24(33-2)26(17-21)35-4)28(32)19-29(20-30,22-9-7-6-8-10-22)23-12-14-25(34-3)27(18-23)36-5/h6-14,17-18H,15-16,19H2,1-5H3"	CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CC(C#N)(C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC	PRLDFVDPGIRSKK-UHFFFAOYSA-N
DG57769	"Methyl 2-((4-(1,5-bis(3-chlorophenyl)-4,6-dioxo-1,3,5-triazinan-2-yl)benzyl)oxy)-2-methylpropanoate"	392657	"NSC693236; CHEMBL2003155; NSC-693236; NCI60_033419; Methyl 2-((4-(1,5-bis(3-chlorophenyl)-4,6-dioxo-1,3,5-triazinan-2-yl)benzyl)oxy)-2-methylpropanoate; methyl 2-[[4-[1,5-bis(3-chlorophenyl)-4,6-dioxo-1,3,5-triazinan-2-yl]phenyl]methoxy]-2-methyl-propanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693236	.	.	.	.	542.4	C27H25Cl2N3O5	88.2	835	5.3	37	1	5	8	"InChI=1S/C27H25Cl2N3O5/c1-27(2,24(33)36-3)37-16-17-10-12-18(13-11-17)23-30-25(34)32(22-9-5-7-20(29)15-22)26(35)31(23)21-8-4-6-19(28)14-21/h4-15,23H,16H2,1-3H3,(H,30,34)"	CC(C)(C(=O)OC)OCC1=CC=C(C=C1)C2NC(=O)N(C(=O)N2C3=CC(=CC=C3)Cl)C4=CC(=CC=C4)Cl	IWLQYAMRNMLOOL-UHFFFAOYSA-N
DG57770	"3-(6-Bromo-1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanenitrile"	392686	"NSC693404; 3-(6-Bromo-1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanenitrile; CHEMBL1980838; NSC-693404; NCI60_033448"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693404	.	.	.	.	436.3	C19H18BrNO6	90.2	542	2.7	27	1	7	6	"InChI=1S/C19H18BrNO6/c1-23-16-6-11(7-17(24-2)18(16)25-3)19(22,4-5-21)12-8-14-15(9-13(12)20)27-10-26-14/h6-9,22H,4,10H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C(CC#N)(C2=CC3=C(C=C2Br)OCO3)O	ILGWFOAENWTHCZ-UHFFFAOYSA-N
DG57771	Benzyl 1-(4-(5-(2-(((benzyloxy)carbonyl)amino)-3-hydroxypropyl)-2-methoxyphenoxy)benzyl)-2-hydroxyethylcarbamate	392691	NSC693409; CHEMBL1975579; NSC-693409; NCI60_033452; Benzyl 1-(4-(5-(2-(((benzyloxy)carbonyl)amino)-3-hydroxypropyl)-2-methoxyphenoxy)benzyl)-2-hydroxyethylcarbamate; benzyl N-[1-[[4-[5-[2-(benzyloxycarbonylamino)-3-hydroxy-propyl]-2-methoxy-phenoxy]phenyl]methyl]-2-hydroxy-ethyl]carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693409	.	.	.	.	614.7	C35H38N2O8	136	842	5.1	45	4	8	17	"InChI=1S/C35H38N2O8/c1-42-32-17-14-28(19-30(22-39)37-35(41)44-24-27-10-6-3-7-11-27)20-33(32)45-31-15-12-25(13-16-31)18-29(21-38)36-34(40)43-23-26-8-4-2-5-9-26/h2-17,20,29-30,38-39H,18-19,21-24H2,1H3,(H,36,40)(H,37,41)"	COC1=C(C=C(C=C1)CC(CO)NC(=O)OCC2=CC=CC=C2)OC3=CC=C(C=C3)CC(CO)NC(=O)OCC4=CC=CC=C4	FMLUCLZWFAAGLK-UHFFFAOYSA-N
DG57772	"4,5,12,13-Tetramethoxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene"	392698	"NSC693416; CHEMBL1974590; NSC-693416; NCI60_033457; 10,5-(Nitrilometheno)-5H-dibenzo[a,d]cycloheptene, 10,11-dihydro-2,3,7,8-tetramethoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693416	.	.	.	.	339.4	C20H21NO4	49.3	498	2.6	25	0	5	4	"InChI=1S/C20H21NO4/c1-22-17-6-11-5-16-14-9-20(25-4)19(24-3)8-13(14)15(10-21-16)12(11)7-18(17)23-2/h6-10,15-16H,5H2,1-4H3"	COC1=C(C=C2C3C=NC(CC2=C1)C4=CC(=C(C=C34)OC)OC)OC	KLXPNUUNKBVTII-UHFFFAOYSA-N
DG57773	"2,6,6-Trimethyltetrahydropyran-2,5-dicarboxylic acid"	392705	"NSC693422; Cineolic acid; SCHEMBL5368390; CHEMBL2003431; NSC-693422; NCI60_033461; 2,6,6-trimethyltetrahydropyran-2,5-dicarboxylic acid; 2,6,6-Trimethyltetrahydro-2H-pyran-2,5-dicarboxylic acid; 18674-61-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693422	.	.	.	.	216.23	C10H16O5	83.8	296	0.5	15	2	5	2	"InChI=1S/C10H16O5/c1-9(2)6(7(11)12)4-5-10(3,15-9)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)"	CC1(C(CCC(O1)(C)C(=O)O)C(=O)O)C	KTSCHRREMZDLIP-UHFFFAOYSA-N
DG57774	"1,3-Dibenzyltetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one"	392715	"NSC693433; CHEMBL1979942; SCHEMBL10729501; 1,3-Dibenzyltetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one; 1,3-dibenzyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one; NSC-693433; NCI60_033472; 1,3-dibenzyl-2-oxohexahydrothieno[3,4-d]imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693433	.	.	.	.	324.4	C19H20N2OS	48.8	382	3.1	23	0	2	4	"InChI=1S/C19H20N2OS/c22-19-20(11-15-7-3-1-4-8-15)17-13-23-14-18(17)21(19)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2"	C1C2C(CS1)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4	XOBCWQNPTJKLRJ-UHFFFAOYSA-N
DG57775	Elisabethasin A	392732	Elisabethasin A; NSC693538; CHEMBL1982331; NSC-693538; NCI60_033486	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693538	.	.	.	.	288.4	C19H28O2	34.1	510	5	21	0	2	3	"InChI=1S/C19H28O2/c1-11(2)9-15-10-14(6)16-8-7-13(5)18(21)19(15,16)17(20)12(3)4/h9,13-16H,3,7-8,10H2,1-2,4-6H3/t13-,14+,15-,16-,19-/m0/s1"	C[C@H]1CC[C@H]2[C@@H](C[C@@H]([C@@]2(C1=O)C(=O)C(=C)C)C=C(C)C)C	PWDIOLQNQGTASX-SPCJURDBSA-N
DG57776	NSC693539	392733	"[(1S,4R,5R,6R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-(cyclopenten-1-yl)acetate; NSC-693539; NSC693539; CHEMBL551846; NCI60_033487"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693539	.	.	.	.	502.6	C27H34O9	140	1090	0.8	36	3	9	4	"InChI=1S/C27H34O9/c1-12-8-16(28)22(31)25(3)15(12)10-17-26-11-34-27(33,24(25)26)21(30)13(2)19(26)20(23(32)35-17)36-18(29)9-14-6-4-5-7-14/h6,8,13,15,17,19-22,24,30-31,33H,4-5,7,9-11H2,1-3H3/t13-,15+,17-,19-,20 ,21-,22-,24-,25-,26+,27+/m1/s1"	C[C@@H]1[C@@H]2C(C(=O)O[C@H]3[C@@]24CO[C@@]([C@@H]1O)([C@@H]4[C@@]5([C@@H](C3)C(=CC(=O)[C@H]5O)C)C)O)OC(=O)CC6=CCCC6	XSRNEJBEOCYPKB-SUTSTRPNSA-N
DG57777	9-amino-N-[3-(2-aminoethylamino)propyl]-5-methylacridine-4-carboxamide;hydrochloride	392737	NSC693543; CHEMBL2005439; NSC-693543	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693543	.	.	.	.	387.9	C20H26ClN5O	106	460	.	27	5	5	7	"InChI=1S/C20H25N5O.ClH/c1-13-5-2-6-14-17(22)15-7-3-8-16(19(15)25-18(13)14)20(26)24-11-4-10-23-12-9-21;/h2-3,5-8,23H,4,9-12,21H2,1H3,(H2,22,25)(H,24,26);1H"	CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCCNCCN)N.Cl	TXVXBUTUBLMKJN-UHFFFAOYSA-N
DG57778	9-amino-N-[2-(2-aminoethylamino)ethyl]-5-methylacridine-4-carboxamide;hydrochloride	392741	NSC693545; CHEMBL1966931; NSC-693545	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693545	.	.	.	.	373.9	C19H24ClN5O	106	446	.	26	5	5	6	"InChI=1S/C19H23N5O.ClH/c1-12-4-2-5-13-16(21)14-6-3-7-15(18(14)24-17(12)13)19(25)23-11-10-22-9-8-20;/h2-7,22H,8-11,20H2,1H3,(H2,21,24)(H,23,25);1H"	CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCNCCN)N.Cl	RFLZTQNESMGWOW-UHFFFAOYSA-N
DG57779	"1H-Benz[e]indol-5-amine,3-dihydro-N-methyl-3-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-"	392743	"NSC693546; CHEMBL288377; SCHEMBL5623388; NSC-693546; NCI60_033494; 1H-Benz[e]indol-5-amine,3-dihydro-N-methyl- 3-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693546	.	.	.	.	480	C26H26ClN3O4	75.8	728	5	34	2	5	6	"InChI=1S/C26H26ClN3O4/c1-28-18-11-20-22(17-8-6-5-7-16(17)18)15(12-27)13-30(20)26(31)19-9-14-10-21(32-2)24(33-3)25(34-4)23(14)29-19/h5-11,15,28-29H,12-13H2,1-4H3"	CNC1=CC2=C(C(CN2C(=O)C3=CC4=CC(=C(C(=C4N3)OC)OC)OC)CCl)C5=CC=CC=C51	DRTNXALIYSNZIV-UHFFFAOYSA-N
DG57780	2-Amino-4-(2-hydroxy-4-methylphenyl)-5-phenylpyrimidine	392744	NSC693547; CHEMBL1991312; NSC-693547; NCI60_033495; 2-Amino-4-(2-hydroxy-4-methylphenyl)-5-phenylpyrimidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693547	.	.	.	.	277.32	C17H15N3O	72	332	3.2	21	2	4	2	"InChI=1S/C17H15N3O/c1-11-7-8-13(16(21)9-11)15-10-14(19-17(18)20-15)12-5-3-2-4-6-12/h2-10,21H,1H3,(H2,18,19,20)"	CC1=CC(=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)N)O	GWEZZAKETCTQQW-UHFFFAOYSA-N
DG57781	NSC693569	392750	Ethyl 2-amino-5-[[3-[(4-chlorophenyl)-hydroxycarbamoyl]sulfanyl-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate;hydrochloride; NSC 693569; 174568-91-3; NSC693569; NSC-693569; CHEMBL50685	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693569	.	.	.	.	569.5	C21H30Cl2N4O8S	203	736	.	36	5	10	16	"InChI=1S/C21H29ClN4O8S.ClH/c1-3-33-18(28)11-24-19(29)16(25-17(27)10-9-15(23)20(30)34-4-2)12-35-21(31)26(32)14-7-5-13(22)6-8-14;/h5-8,15-16,32H,3-4,9-12,23H2,1-2H3,(H,24,29)(H,25,27);1H"	CCOC(=O)CNC(=O)C(CSC(=O)N(C1=CC=C(C=C1)Cl)O)NC(=O)CCC(C(=O)OCC)N.Cl	UGZFSSPAUFUEHY-UHFFFAOYSA-N
DG57782	NSC693570	392752	Ethyl 2-amino-5-[[3-[(4-bromophenyl)-hydroxycarbamoyl]sulfanyl-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate;hydrochloride; NSC693570; CHEMBL75031; NSC-693570	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693570	.	.	.	.	613.9	C21H30BrClN4O8S	203	736	.	36	5	10	16	"InChI=1S/C21H29BrN4O8S.ClH/c1-3-33-18(28)11-24-19(29)16(25-17(27)10-9-15(23)20(30)34-4-2)12-35-21(31)26(32)14-7-5-13(22)6-8-14;/h5-8,15-16,32H,3-4,9-12,23H2,1-2H3,(H,24,29)(H,25,27);1H"	CCOC(=O)CNC(=O)C(CSC(=O)N(C1=CC=C(C=C1)Br)O)NC(=O)CCC(C(=O)OCC)N.Cl	HFQRZRCYYQCUIG-UHFFFAOYSA-N
DG57783	2-propyl-3-(2-propyl-1H-indol-3-yl)-1H-indole	392793	"NSC693714; 3, 2,2'-dipropyl-; 2-propyl-3-(2-propyl-1H-indol-3-yl)-1H-indole; CHEMBL1986429; NSC-693714; 3,3'-Bi-1H-indole, 2,2'-dipropyl-; NCI60_033538; 1H-Indole, 2-propyl-3-(2-propyl-1H-indol-3-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693714	.	.	.	.	316.4	C22H24N2	31.6	371	6.2	24	2	0	5	"InChI=1S/C22H24N2/c1-3-9-19-21(15-11-5-7-13-17(15)23-19)22-16-12-6-8-14-18(16)24-20(22)10-4-2/h5-8,11-14,23-24H,3-4,9-10H2,1-2H3"	CCCC1=C(C2=CC=CC=C2N1)C3=C(NC4=CC=CC=C43)CCC	DQPQLUBLJYSDMS-UHFFFAOYSA-N
DG57784	"1-Benzyl 2-methyl 5-thioxo-1,2-pyrrolidinedicarboxylate"	392797	"NSC693718; CHEMBL2006391; NSC-693718; NCI60_033542; 1-Benzyl 2-methyl 5-thioxo-1,2-pyrrolidinedicarboxylate; O1-benzyl O2-methyl 5-thioxopyrrolidine-1,2-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693718	.	.	.	.	293.34	C14H15NO4S	87.9	393	2	20	0	5	5	"InChI=1S/C14H15NO4S/c1-18-13(16)11-7-8-12(20)15(11)14(17)19-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3"	COC(=O)C1CCC(=S)N1C(=O)OCC2=CC=CC=C2	DJBJXMMKIZKHMT-UHFFFAOYSA-N
DG57785	Methyl 1-benzoyl-5-thioxo-2-pyrrolidinecarboxylate	392799	NSC693720; Methyl 1-benzoyl-5-thioxo-2-pyrrolidinecarboxylate; MLS001180359; CHEMBL1344251; HMS2826K18; MCULE-1194213653; NSC-693720; NCI60_033544; SMR000477868; AQ-776/42801691; methyl 1-benzoyl-5-thioxo-pyrrolidine-2-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693720	.	.	.	.	263.31	C13H13NO3S	78.7	363	1.8	18	0	4	3	"InChI=1S/C13H13NO3S/c1-17-13(16)10-7-8-11(18)14(10)12(15)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3"	COC(=O)C1CCC(=S)N1C(=O)C2=CC=CC=C2	FRSLUAJLIPUQKR-UHFFFAOYSA-N
DG57786	"3-Chloro-2-phenyl-6-[(3,5-dimethoxyphenoxy)methyl]quinoxaline"	392809	"NSC693765; CHEMBL2007253; NSC-693765; NCI60_033552; 3-Chloro-2-phenyl-6-[(3,5-dimethoxyphenoxy)methyl]quinoxaline; 3-Chloro-6-((3,5-dimethoxyphenoxy)methyl)-2-phenylquinoxaline; 3-chloro-6-[(3,5-dimethoxyphenoxy)methyl]-2-phenyl-quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693765	.	.	.	.	406.9	C23H19ClN2O3	53.5	493	5.2	29	0	5	6	"InChI=1S/C23H19ClN2O3/c1-27-17-11-18(28-2)13-19(12-17)29-14-15-8-9-20-21(10-15)26-23(24)22(25-20)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3"	COC1=CC(=CC(=C1)OCC2=CC3=C(C=C2)N=C(C(=N3)Cl)C4=CC=CC=C4)OC	CWNXINJPWCQNMU-UHFFFAOYSA-N
DG57787	3-Chloro-2-phenyl-6-[(4-methoxyphenoxy)methyl]quinoxaline	392810	NSC693766; CHEMBL1999106; NSC-693766; NCI60_033553; 3-Chloro-2-phenyl-6-[(4-methoxyphenoxy)methyl]quinoxaline; 3-Chloro-6-((4-methoxyphenoxy)methyl)-2-phenylquinoxaline; 3-chloro-6-[(4-methoxyphenoxy)methyl]-2-phenyl-quinoxaline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693766	.	.	.	.	376.8	C22H17ClN2O2	44.2	452	5.3	27	0	4	5	"InChI=1S/C22H17ClN2O2/c1-26-17-8-10-18(11-9-17)27-14-15-7-12-19-20(13-15)25-22(23)21(24-19)16-5-3-2-4-6-16/h2-13H,14H2,1H3"	COC1=CC=C(C=C1)OCC2=CC3=C(C=C2)N=C(C(=N3)Cl)C4=CC=CC=C4	GHRMAUPCTWGVNN-UHFFFAOYSA-N
DG57788	Diethyl 2-((4-((3-chloro-2-phenyl-6-quinoxalinyl)methoxy)benzoyl)amino)pentanedioate	392811	NSC693767; CHEMBL1979337; NSC-693767; NCI60_033554; Diethyl 2-((4-((3-chloro-2-phenyl-6-quinoxalinyl)methoxy)benzoyl)amino)pentanedioate; diethyl 2-[[4-[(3-chloro-2-phenyl-quinoxalin-6-yl)methoxy]benzoyl]amino]pentanedioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693767	.	.	.	.	576	C31H30ClN3O6	117	848	5.4	41	1	8	14	"InChI=1S/C31H30ClN3O6/c1-3-39-27(36)17-16-25(31(38)40-4-2)35-30(37)22-11-13-23(14-12-22)41-19-20-10-15-24-26(18-20)34-29(32)28(33-24)21-8-6-5-7-9-21/h5-15,18,25H,3-4,16-17,19H2,1-2H3,(H,35,37)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OCC2=CC3=C(C=C2)N=C(C(=N3)Cl)C4=CC=CC=C4	WCBYIOYCMJWSHC-UHFFFAOYSA-N
DG57789	4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzonitrile	392813	NSC693769; CHEMBL1973940; 4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzonitrile; NSC-693769; NCI60_033556; 4-((3-Phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methoxy)benzonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693769	.	.	.	.	405.4	C23H14F3N3O	58.8	605	5	30	0	7	4	"InChI=1S/C23H14F3N3O/c24-23(25,26)17-8-11-19-20(12-17)28-21(22(29-19)16-4-2-1-3-5-16)14-30-18-9-6-15(13-27)7-10-18/h1-12H,14H2"	C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2COC4=CC=C(C=C4)C#N	HIKCPYTUBNXVGW-UHFFFAOYSA-N
DG57790	3-Chloro-2-phenyl-6-[(4-fluorophenoxy)methyl]quinoxaline	392817	NSC693773; CHEMBL1978450; NSC-693773; NCI60_033560; 3-Chloro-2-phenyl-6-[(4-fluorophenoxy)methyl]quinoxaline; 3-Chloro-6-((4-fluorophenoxy)methyl)-2-phenylquinoxaline; 3-chloro-6-[(4-fluorophenoxy)methyl]-2-phenyl-quinoxaline; (3-Chloro-2-phenyl-6-quinoxalinyl)methyl 4-fluorophenyl ether	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693773	.	.	.	.	364.8	C21H14ClFN2O	35	440	5.4	26	0	4	4	"InChI=1S/C21H14ClFN2O/c22-21-20(15-4-2-1-3-5-15)24-18-11-6-14(12-19(18)25-21)13-26-17-9-7-16(23)8-10-17/h1-12H,13H2"	C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)COC4=CC=C(C=C4)F)N=C2Cl	ODZRGIABKXFAMY-UHFFFAOYSA-N
DG57791	N-((3-Chloro-2-phenyl-6-quinoxalinyl)methyl)-4-fluoro-N-(2-propynyl)aniline	392818	NSC693774; CHEMBL1982327; NSC-693774; NCI60_033561; N-((3-Chloro-2-phenyl-6-quinoxalinyl)methyl)-4-fluoro-N-(2-propynyl)aniline; N-((3-Chloro-2-phenyl-6-quinoxalinyl)methyl)-N-(4-fluorophenyl)-N-(2-propynyl)amine; N-[(3-chloro-2-phenyl-quinoxalin-6-yl)methyl]-4-fluoro-N-prop-2-ynyl-aniline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693774	.	.	.	.	401.9	C24H17ClFN3	29	564	5.7	29	0	4	5	"InChI=1S/C24H17ClFN3/c1-2-14-29(20-11-9-19(26)10-12-20)16-17-8-13-21-22(15-17)28-24(25)23(27-21)18-6-4-3-5-7-18/h1,3-13,15H,14,16H2"	C#CCN(CC1=CC2=C(C=C1)N=C(C(=N2)Cl)C3=CC=CC=C3)C4=CC=C(C=C4)F	UROGRUMXMWCOJF-UHFFFAOYSA-N
DG57792	3-[(4-Fluorophenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline	392820	NSC693776; 3-[(4-fluorophenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline; 3-((4-Fluorophenoxy)methyl)-2-phenyl-6-(trifluoromethyl)quinoxaline; CHEMBL1976112; NSC-693776; NCI60_033563; 4-Fluorophenyl (3-phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methyl ether	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693776	.	.	.	.	398.4	C22H14F4N2O	35	517	5.4	29	0	7	4	"InChI=1S/C22H14F4N2O/c23-16-7-9-17(10-8-16)29-13-20-21(14-4-2-1-3-5-14)28-18-11-6-15(22(24,25)26)12-19(18)27-20/h1-12H,13H2"	C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2COC4=CC=C(C=C4)F	WVQUAYBMGCGGIM-UHFFFAOYSA-N
DG57793	"1,1-dioxo-4H-thieno[3,2-b][1,4]thiazine-2-carbonitrile"	392827	"NSC693804; CHEMBL1967517; 1,1-dioxo-4H-thieno[3,2-b][1,4]thiazine-2-carbonitrile; 4H-Thieno[3,2-b][1,4]thiazine-2-carbonitrile 1,1-dioxide; NSC-693804; NCI60_033570; 2-Cyano-4H-thieno[3,2-b]-1,4-thiazine 1,1-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693804	.	.	.	.	212.3	C7H4N2O2S2	107	398	0.9	13	1	5	0	"InChI=1S/C7H4N2O2S2/c8-3-5-4-9-7-6(1-2-12-7)13(5,10)11/h1-2,4,9H"	C1=CSC2=C1S(=O)(=O)C(=CN2)C#N	DOFCSXFEAZQTQH-UHFFFAOYSA-N
DG57794	"5-[2-(4-chlorophenyl)ethyl]-6,7-dimethyl-1,1-dioxo-3-phenyl-3,4-dihydro-2H-pyrrolo[3,2-b][1,4]thiazine-2-carbonitrile"	392835	"NSC693813; CHEMBL1987040; NSC-693813; 5-[2-(4-chlorophenyl)ethyl]-6,7-dimethyl-1,1-dioxo-3-phenyl-3,4-dihydro-2H-pyrrolo[3,2-b][1,4]thiazine-2-carbonitrile; NCI60_033579; 5-(2-(4-Chlorophenyl)ethyl)-6,7-dimethyl-3-phenyl-2,3,4,5-tetrahydropyrrolo[3,2-b][1,4]thiazine-2-carbonitrile 1,1-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693813	.	.	.	.	440	C23H22ClN3O2S	83.3	746	4.6	30	1	4	4	"InChI=1S/C23H22ClN3O2S/c1-15-16(2)27(13-12-17-8-10-19(24)11-9-17)23-22(15)30(28,29)20(14-25)21(26-23)18-6-4-3-5-7-18/h3-11,20-21,26H,12-13H2,1-2H3"	CC1=C(N(C2=C1S(=O)(=O)C(C(N2)C3=CC=CC=C3)C#N)CCC4=CC=C(C=C4)Cl)C	IFOAYRQIXAMJIB-UHFFFAOYSA-N
DG57795	"N-[3-(4-chlorophenyl)sulfonyl-2-thienyl]-2,2,2-trifluoro-acetamide"	392837	"NSC693815; CHEMBL1993625; NSC-693815; NCI60_033581; Acetamide, N-[3-[(4-chlorophenyl)sulfonyl]-2-thienyl]-2,2,2-trifluoro-; N-[3-(4-chlorophenyl)sulfonyl-2-thienyl]-2,2,2-trifluoro-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693815	.	.	.	.	369.8	C12H7ClF3NO3S2	99.9	513	4.2	22	1	7	3	"InChI=1S/C12H7ClF3NO3S2/c13-7-1-3-8(4-2-7)22(19,20)9-5-6-21-10(9)17-11(18)12(14,15)16/h1-6H,(H,17,18)"	C1=CC(=CC=C1S(=O)(=O)C2=C(SC=C2)NC(=O)C(F)(F)F)Cl	XITSXNJXRCWMMZ-UHFFFAOYSA-N
DG57796	N-[3-(benzenesulfonyl)-2-thienyl]benzamide	392838	"NSC693816; CHEMBL1975934; NSC-693816; NCI60_033582; N-[3-(benzenesulfonyl)-2-thienyl]benzamide; Benzamide, N-[3-(phenylsulfonyl)-2-thienyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693816	.	.	.	.	343.4	C17H13NO3S2	99.9	502	4.1	23	1	4	4	"InChI=1S/C17H13NO3S2/c19-16(13-7-3-1-4-8-13)18-17-15(11-12-22-17)23(20,21)14-9-5-2-6-10-14/h1-12H,(H,18,19)"	C1=CC=C(C=C1)C(=O)NC2=C(C=CS2)S(=O)(=O)C3=CC=CC=C3	MUMNOQLMMQKDKJ-UHFFFAOYSA-N
DG57797	"Benzamide, N-[3-[(4-methylphenyl)sulfonyl]-2-thienyl]-"	392839	"NSC693817; MLS002702430; Benzamide, N-[3-[(4-methylphenyl)sulfonyl]-2-thienyl]-; CHEMBL1905130; N-(3-Tosylthiophen-2-yl)benzamide; NSC-693817; NCI60_033583; SMR001565992; N-[3-(p-tolylsulfonyl)-2-thienyl]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693817	.	.	.	.	357.5	C18H15NO3S2	99.9	529	4.5	24	1	4	4	"InChI=1S/C18H15NO3S2/c1-13-7-9-15(10-8-13)24(21,22)16-11-12-23-18(16)19-17(20)14-5-3-2-4-6-14/h2-12H,1H3,(H,19,20)"	CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC=C2)NC(=O)C3=CC=CC=C3	JKIAQPDERNGWCB-UHFFFAOYSA-N
DG57798	1-(1-Adamantyl)-2-(triphenylphosphoranylidene)ethanone	392841	NSC693853; CHEMBL1991811; NSC-693853; NCI60_033585; 1-(1-Adamantyl)-2-(triphenylphosphoranylidene)ethanone; 1-(1-adamantyl)-2-(triphenyl-$l^{5}-phosphanylidene)ethanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693853	.	.	.	.	438.5	C30H31OP	17.1	638	6.2	32	0	1	5	"InChI=1S/C30H31OP/c31-29(30-19-23-16-24(20-30)18-25(17-23)21-30)22-32(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,22-25H,16-21H2"	C1C2CC3CC1CC(C2)(C3)C(=O)C=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6	WQTBBVKWMRCLSL-UHFFFAOYSA-N
DG57799	"Cubane-1,3,5,7-tetracarboxylic acid"	392842	"cubane-1,3,5,7-tetracarboxylic acid; NSC693854; SCHEMBL5827684; CHEMBL1986653; 1,3,5,7-Cubanetetracarboxylic acid; NSC-693854; NCI60_033586"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693854	.	.	.	.	280.19	C12H8O8	149	511	-2.5	20	4	8	4	"InChI=1S/C12H8O8/c13-5(14)9-1-10(6(15)16)2(9)12(8(19)20)3(9)11(1,4(10)12)7(17)18/h1-4H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)"	C12C3(C4C1(C5C2(C3C45C(=O)O)C(=O)O)C(=O)O)C(=O)O	QGYMAFGVNUKBCO-UHFFFAOYSA-N
DG57800	"ethyl 3,6-dihydroxy-4-(4-methoxyphenyl)-6-methyl-2-phenyl-5,7-dihydro-4H-indazole-5-carboxylate"	392845	"NSC693857; CHEMBL2000465; NSC-693857; NCI60_033589; Ethyl 3,6-dihydroxy-4-(4-methoxyphenyl)-6-methyl-2-phenyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate; ethyl 3,6-dihydroxy-4-(4-methoxyphenyl)-6-methyl-2-phenyl-5,7-dihydro-4H-indazole-5-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693857	.	.	.	.	422.5	C24H26N2O5	88.1	724	3.6	31	2	6	6	"InChI=1S/C24H26N2O5/c1-4-31-23(28)21-19(15-10-12-17(30-3)13-11-15)20-18(14-24(21,2)29)25-26(22(20)27)16-8-6-5-7-9-16/h5-13,19,21,25,29H,4,14H2,1-3H3"	CCOC(=O)C1C(C2=C(CC1(C)O)NN(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC	OZDDGXXLKKQLNX-UHFFFAOYSA-N
DG57801	"ethyl 6-ethoxy-3,6-dihydroxy-4-(4-methoxyphenyl)-2-phenyl-5,7-dihydro-4H-indazole-5-carboxylate"	392846	"NSC693858; CHEMBL1998295; NSC-693858; NCI60_033590; Ethyl 6-ethoxy-3,6-dihydroxy-4-(4-methoxyphenyl)-2-phenyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate; ethyl 6-ethoxy-3,6-dihydroxy-4-(4-methoxyphenyl)-2-phenyl-5,7-dihydro-4H-indazole-5-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693858	.	.	.	.	452.5	C25H28N2O6	97.3	756	3.5	33	2	7	8	"InChI=1S/C25H28N2O6/c1-4-32-24(29)22-20(16-11-13-18(31-3)14-12-16)21-19(15-25(22,30)33-5-2)26-27(23(21)28)17-9-7-6-8-10-17/h6-14,20,22,26,30H,4-5,15H2,1-3H3"	CCOC(=O)C1C(C2=C(CC1(O)OCC)NN(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC	XTHREJKVZNKFFZ-UHFFFAOYSA-N
DG57802	"Ethyl 3,6-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate"	392847	"NSC693859; CHEMBL1979891; AKOS024297985; MCULE-5260436866; NSC-693859; Ethyl 3,6-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate; NCI60_033591; ethyl 3,6-dihydroxy-4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-2,4,5,7-tetrahydroindazole-5-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693859	.	.	.	.	362.4	C18H22N2O6	117	621	1.5	26	4	7	5	"InChI=1S/C18H22N2O6/c1-4-26-17(23)15-13(9-5-6-11(21)12(7-9)25-3)14-10(8-18(15,2)24)19-20-16(14)22/h5-7,13,15,21,24H,4,8H2,1-3H3,(H2,19,20,22)"	CCOC(=O)C1C(C2=C(CC1(C)O)NNC2=O)C3=CC(=C(C=C3)O)OC	GOQAODGEMIJTDA-UHFFFAOYSA-N
DG57803	"Ethyl 4-(4-allyloxy-3-methoxy-phenyl)-6-ethoxy-3,6-dihydroxy-2,4,5,7-tetrahydroindazole-5-carboxylate"	392849	"NSC693861; CHEMBL1994946; NSC-693861; NCI60_033593; Ethyl 4-(4-(allyloxy)-3-methoxyphenyl)-6-ethoxy-3,6-dihydroxy-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate; ethyl 4-(4-allyloxy-3-methoxy-phenyl)-6-ethoxy-3,6-dihydroxy-2,4,5,7-tetrahydroindazole-5-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693861	.	.	.	.	432.5	C22H28N2O7	115	725	2.4	31	3	8	10	"InChI=1S/C22H28N2O7/c1-5-10-30-15-9-8-13(11-16(15)28-4)17-18-14(23-24-20(18)25)12-22(27,31-7-3)19(17)21(26)29-6-2/h5,8-9,11,17,19,27H,1,6-7,10,12H2,2-4H3,(H2,23,24,25)"	CCOC(=O)C1C(C2=C(CC1(O)OCC)NNC2=O)C3=CC(=C(C=C3)OCC=C)OC	SNBPENMFILLKFM-UHFFFAOYSA-N
DG57804	"3-Chloro-6,7-dimethyl-2-quinoxalinecarbonitrile 1,4-dioxide"	392858	"NSC693870; CHEMBL1978336; NSC-693870; NCI60_033602; 3-chloro-6,7-dimethyl-2-quinoxalinecarbonitrile 1,4-dioxide; 2-Quinoxalinecarbonitrile, 3-chloro-6,7-dimethyl-, 1,4-dioxide; 3-chloro-6,7-dimethyl-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile; 171880-87-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693870	.	.	.	.	249.65	C11H8ClN3O2	70.2	439	1.6	17	0	4	0	"InChI=1S/C11H8ClN3O2/c1-6-3-8-9(4-7(6)2)15(17)11(12)10(5-13)14(8)16/h3-4H,1-2H3"	CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])Cl)C#N	CCVAPSMYJNZZIL-UHFFFAOYSA-N
DG57805	7-(Pyrrolidin-1-ylmethyl)quinolin-8-ol;hydrochloride	392859	NSC693871; CHEMBL1993237; SCHEMBL19437125; NSC-693871	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693871	.	.	.	.	264.75	C14H17ClN2O	36.4	253	.	18	2	3	2	"InChI=1S/C14H16N2O.ClH/c17-14-12(10-16-8-1-2-9-16)6-5-11-4-3-7-15-13(11)14;/h3-7,17H,1-2,8-10H2;1H"	C1CCN(C1)CC2=C(C3=C(C=CC=N3)C=C2)O.Cl	LLLRYTCTMPBCOR-UHFFFAOYSA-N
DG57806	7-(Diethylaminomethyl)quinolin-8-ol;hydrochloride	392861	NSC693872; CHEMBL1984624; NSC-693872	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693872	.	.	.	.	266.76	C14H19ClN2O	36.4	230	.	18	2	3	4	"InChI=1S/C14H18N2O.ClH/c1-3-16(4-2)10-12-8-7-11-6-5-9-15-13(11)14(12)17;/h5-9,17H,3-4,10H2,1-2H3;1H"	CCN(CC)CC1=C(C2=C(C=CC=N2)C=C1)O.Cl	WPUWENJJSQAQDF-UHFFFAOYSA-N
DG57807	"1-Tert-butyl 4-methyl piperidine-1,4-dicarboxylate"	392870	"124443-68-1; N-Boc-piperidine-4-carboxylic acid methyl ester; 1-tert-butyl 4-methyl piperidine-1,4-dicarboxylate; methyl n-boc-piperidine-4-carboxylate; Methyl N-Boc-4-piperidinecarboxylate; methyl (1-boc-piperidin-4-yl)carboxylate; 1,4-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) 4-methyl ester; NSC693923; 1-N-Boc-4-piperidinecarboxylic acid methyl ester; 1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate; MFCD02183584; 1-Boc-4-piperidinecarboxylic Acid Methyl Ester; N-Boc-4-Piperidinecarboxylic acid methyl ester; 1-(1,1-dimethylethyl) 4-methyl 1,4-piperidinedicarboxylate; 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic Acid Methyl Ester; methyl 1-boc-piperidine-4-carboxylate; MethylN-Boc-4-piperidinecarboxylate; SCHEMBL57231; O1-tert-butyl O4-methyl piperidine-1,4-dicarboxylate; CHEMBL2003081; DTXSID20327847; ACT02030; ACT02036; ALBB-006379; BCP22296; ZINC1433131; Methyl 1-Boc-4-piperidinecarboxylate; N-Boc-Isonipecotic acid methyl ester; STK503880; AKOS005071387; methyl 1-boc-piperidine-4-carboxylate; CS-W004331; LS20241; MCULE-8581979044; NSC-693923; PB21176; QC-9990; SB10787; NCI60_033612; O345; SY002284; DB-007749; AM20080183; FT-0601244; M2227; B56857; methyl 1-t-butoxycarbonylpiperidine-4-carboxylate; N-t-butoxycarbonyl isonipecotic acid methyl ester; 1-t-Butyl 4-methyl piperidine-1,4-dicarboxylate; 1-tert-Butyl 4-methyl 1,4-piperidinedicarboxylate; 443B681; 9W-0607; J-505142; methyl 1-tert-butoxycarbonylpiperidine-4-carboxylate; tert-butyl 4-methoxycarbonylpiperidine-1-carboxylate; Methyl 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylate; Methyl 1-(tert-butoxycarbonyl)piperidine-4-carboxylate; TERT-BUTYL METHYL PIPERIDINE-1,4-DICARBOXYLATE; Piperidine-1,4-dicarboxylic Acid 1-tert-Butyl 4-Methyl; 1-(tert-butoxycarbonyl)piperidin-4-carboxylic methyl ester; 1-(tert-butoxycarbonyl)piperidin-4-carboxylic acid methyl ester; Piperidine-1,4-dicarboxylic acid 1-tert-butyl 4-methyl ester; 1-(tert-butyl) 4-methyl tetrahydro-1,4(2h)-pyridinedicarboxylate; 4-(Methoxycarbonyl)piperidine-1-carboxylic acid tert-butyl ester; piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4 methyl ester; piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693923	.	.	.	.	243.3	C12H21NO4	55.8	287	1.5	17	0	4	4	"InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-7-5-9(6-8-13)10(14)16-4/h9H,5-8H2,1-4H3"	CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OC	PTZNCCIULVXFIJ-UHFFFAOYSA-N
DG57808	Tert-butyl 4-[(1-tert-butoxycarbonyl-4-piperidyl)carbamoylamino]piperidine-1-carboxylate	392872	NSC693925; CHEMBL1998543; NSC-693925; NCI60_033614; tert-butyl 4-[(1-tert-butoxycarbonyl-4-piperidyl)carbamoylamino]piperidine-1-carboxylate; tert-Butyl 4-((((1-(tert-butoxycarbonyl)-4-piperidinyl)amino)carbonyl)amino)-1-piperidinecarboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693925	.	.	.	.	426.6	C21H38N4O5	100	558	2.2	30	2	5	6	"InChI=1S/C21H38N4O5/c1-20(2,3)29-18(27)24-11-7-15(8-12-24)22-17(26)23-16-9-13-25(14-10-16)19(28)30-21(4,5)6/h15-16H,7-14H2,1-6H3,(H2,22,23,26)"	CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)NC2CCN(CC2)C(=O)OC(C)(C)C	RQUOKAGJORYYOV-UHFFFAOYSA-N
DG57809	"2-Acetylnaphtho[2,3-b]thiophene-4,9-dione"	392893	"NSC694071; 2-acetylnaphtho[2,3-b]thiophene-4,9-dione; Neuro_000469; CHEMBL93347; SCHEMBL6000950; Naphtho[2,9-dione, 2-acetyl-; NSC-694071; NCI60_033644; 2-acetyl naphtho[2,3-b]thiophene-4,9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694071	.	.	.	.	256.279	C14H8O3S	79.4	417	2.9	18	0	4	1	"InChI=1S/C14H8O3S/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3"	CC(=O)C1=CC2=C(S1)C(=O)C3=CC=CC=C3C2=O	AZJPKGXMDKTLMO-UHFFFAOYSA-N
DG57810	"Naphtho[2,9-dione, 3-acetyl-"	392894	"NSC694072; Neuro_000470; CHEMBL92698; SCHEMBL6997171; Naphtho[2,9-dione, 3-acetyl-; NSC-694072; NCI60_033645"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694072	.	.	.	.	256.279	C14H8O3S	79.4	417	2.6	18	0	4	1	"InChI=1S/C14H8O3S/c1-7(15)10-6-18-14-11(10)12(16)8-4-2-3-5-9(8)13(14)17/h2-6H,1H3"	CC(=O)C1=CSC2=C1C(=O)C3=CC=CC=C3C2=O	OGTQKTFODXNYJH-UHFFFAOYSA-N
DG57811	"Naphtho[2,9-dione, 2,7-diacetyl-"	392895	"NSC694073; CHEMBL415314; SCHEMBL6995078; Naphtho[2,9-dione, 2,7-diacetyl-; NSC-694073; NCI60_033646"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694073	.	.	.	.	298.3	C16H10O4S	96.5	526	2.6	21	0	5	2	"InChI=1S/C16H10O4S/c1-7(17)9-3-4-10-11(5-9)15(20)16-12(14(10)19)6-13(21-16)8(2)18/h3-6H,1-2H3"	CC(=O)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)SC(=C3)C(=O)C	OGSTVKYZXKXSJY-UHFFFAOYSA-N
DG57812	7-benzyl-2-(4-phenylphenyl)-1H-indole	392906	"NSC694088; 7-benzyl-2-(4-phenylphenyl)-1H-indole; CHEMBL1993467; NSC-694088; NCI60_033659; 7-Benzyl-2-[1,1'-biphenyl]-4-yl-1H-indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694088	.	.	.	.	359.5	C27H21N	15.8	467	7.3	28	1	0	4	"InChI=1S/C27H21N/c1-3-8-20(9-4-1)18-24-12-7-13-25-19-26(28-27(24)25)23-16-14-22(15-17-23)21-10-5-2-6-11-21/h1-17,19,28H,18H2"	C1=CC=C(C=C1)CC2=CC=CC3=C2NC(=C3)C4=CC=C(C=C4)C5=CC=CC=C5	HMRLZJNBLDBBRV-UHFFFAOYSA-N
DG57813	(N-acetoxy-4-methyl-anilino) acetate	392912	NSC694095; CHEMBL1970376; (N-acetoxy-4-methyl-anilino) acetate; NSC-694095; 1-(Bis(acetyloxy)amino)-4-methylbenzene; NCI60_033666; O-Acetyl-N-(acetyloxy)-N-(4-methylphenyl)hydroxylamine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694095	.	.	.	.	223.22	C11H13NO4	55.8	243	2.6	16	0	5	5	"InChI=1S/C11H13NO4/c1-8-4-6-11(7-5-8)12(15-9(2)13)16-10(3)14/h4-7H,1-3H3"	CC1=CC=C(C=C1)N(OC(=O)C)OC(=O)C	RXNWDQGBYNEWHQ-UHFFFAOYSA-N
DG57814	"(2-Amino-3,5-dimethylphenyl)methanol"	392916	"2-Amino-3,5-dimethylbenzyl Alcohol; 873388-89-7; (2-amino-3,5-dimethylphenyl)methanol; NSC694100; NSC694099; (2-amino-3,5-dimethyl-phenyl)methanol; Benzenemethanol,5-dimethyl-; CHEMBL1988991; ZINC1653623; AC7040; MFCD16878760; NSC-694099; NSC-694100; NCI60_033670; NCI60_033671; SY129197; A916054; Diethyl 3-amino-2,4,6-trimethylphenylphosphonate; N,N-Diethyl-2-azabicyclo[3.2.0]hepta-2,6-dien-3-amine; N-(2-Azabicyclo[3.2.0]hepta-2,6-dien-3-yl)-N,N-diethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694100	.	.	.	.	151.21	C9H13NO	46.2	127	1.6	11	2	2	1	"InChI=1S/C9H13NO/c1-6-3-7(2)9(10)8(4-6)5-11/h3-4,11H,5,10H2,1-2H3"	CC1=CC(=C(C(=C1)CO)N)C	CRPRKAVPVAZRMT-UHFFFAOYSA-N
DG57815	5-(3-Methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylic acid	392920	NSC694104; CHEMBL1983806; NSC-694104; NCI60_033675; 5-(3-Methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylic acid; 5-(3-methylisoxazol-5-yl)-1H-pyrrole-2-carboxylic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694104	.	.	.	.	192.17	C9H8N2O3	79.1	234	1.1	14	2	4	2	"InChI=1S/C9H8N2O3/c1-5-4-8(14-11-5)6-2-3-7(10-6)9(12)13/h2-4,10H,1H3,(H,12,13)"	CC1=NOC(=C1)C2=CC=C(N2)C(=O)O	OETMYTKMPUTIEZ-UHFFFAOYSA-N
DG57816	"3-Chloro-4-(4-chlorophenoxy)-N-(2,4-dichlorobenzylidene)aniline"	392946	"NSC694160; 3-Chloro-4-(4-chlorophenoxy)-N-(2,4-dichlorobenzylidene)aniline; CHEMBL2003377; ZINC1653644; N-[3-chloro-4-(4-chlorophenoxy)phenyl]-1-(2,4-dichlorophenyl)methanimine; ZINC252637302; MCULE-5461206061; NSC-694160; NCI60_033688; AE-641/09782016; N-(3-Chloro-4-(4-chlorophenoxy)phenyl)-N-(2,4-dichlorobenzylidene)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694160	.	.	.	.	411.1	C19H11Cl4NO	21.6	441	7.3	25	0	2	4	InChI=1S/C19H11Cl4NO/c20-13-3-6-16(7-4-13)25-19-8-5-15(10-18(19)23)24-11-12-1-2-14(21)9-17(12)22/h1-11H	C1=CC(=CC=C1OC2=C(C=C(C=C2)N=CC3=C(C=C(C=C3)Cl)Cl)Cl)Cl	XROGJXMBTGUNFK-UHFFFAOYSA-N
DG57817	3-(3-Chloro-4-(4-chlorophenoxy)phenyl)-2-(3-ethoxy-4-hydroxyphenyl)thiazolidin-4-one	392954	"NSC694168; NSC-694168; CHEMBL1165699; NCI60_033696; 3-(3-Chloro-4-(4-chlorophenoxy)phenyl)-2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidin-4-one; 3-(3-chloro-4-(4-chlorophenoxy)phenyl)-2-(3-ethoxy-4-hydroxyphenyl)thiazolidin-4-one; 3-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-(3-ethoxy-4-hydroxy-phenyl)thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694168	.	.	.	.	476.4	C23H19Cl2NO4S	84.3	606	6.1	31	1	5	6	"InChI=1S/C23H19Cl2NO4S/c1-2-29-21-11-14(3-9-19(21)27)23-26(22(28)13-31-23)16-6-10-20(18(25)12-16)30-17-7-4-15(24)5-8-17/h3-12,23,27H,2,13H2,1H3"	CCOC1=C(C=CC(=C1)C2N(C(=O)CS2)C3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl)O	SCGFLTYLAYNBQI-UHFFFAOYSA-N
DG57818	"1-Methylsulfanyl-1,3-dihydrobenzo[e]indol-2-one"	392959	"NSC694173; 1-methylsulfanyl-1,3-dihydrobenzo[e]indol-2-one; CHEMBL1975174; NSC-694173; NCI60_033701; 1-(Methylthio)-1,3-dihydro-2H-benzo[e]indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694173	.	.	.	.	229.3	C13H11NOS	54.4	294	2.8	16	1	2	1	"InChI=1S/C13H11NOS/c1-16-12-11-9-5-3-2-4-8(9)6-7-10(11)14-13(12)15/h2-7,12H,1H3,(H,14,15)"	CSC1C2=C(C=CC3=CC=CC=C32)NC1=O	SLGYWHYIUUFYBT-UHFFFAOYSA-N
DG57819	"Methyl 3-(2a-methylsulfanyl-2-oxo-1,3-dihydrobenzo[cd]indol-5-yl)propanoate"	392962	"NSC694176; CHEMBL1993072; NSC-694176; NCI60_033704; methyl 3-[methylsulfanyl(oxo)[ ]yl]propanoate; Methyl 3-(2a-(methylthio)-2-oxo-1,2,2a,3-tetrahydrobenzo[cd]indol-5-yl)propanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694176	.	.	.	.	303.4	C16H17NO3S	80.7	490	1.8	21	1	4	5	"InChI=1S/C16H17NO3S/c1-20-13(18)7-6-10-8-9-16(21-2)14-11(10)4-3-5-12(14)17-15(16)19/h3-5,8H,6-7,9H2,1-2H3,(H,17,19)"	COC(=O)CCC1=CCC2(C3=C1C=CC=C3NC2=O)SC	UMLVMDMCOQEKIT-UHFFFAOYSA-N
DG57820	"11-Phenyl-9,11,13-triazatricyclo[6.5.2.09,13]pentadec-14-ene-10,12-dione"	392963	"NSC694177; CHEMBL1997179; NSC-694177; NCI60_033705; 5,12-Etheno-1H-[1,2,4]triazolo[1,2-a][1,2]diazecine-1,3(2H)-dione, 5,6,7,8,9,10,11,12-octahydro-2-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694177	.	.	.	.	311.4	C18H21N3O2	43.9	476	3.6	23	0	2	1	"InChI=1S/C18H21N3O2/c22-17-19(14-8-6-3-7-9-14)18(23)21-16-11-5-2-1-4-10-15(12-13-16)20(17)21/h3,6-9,12-13,15-16H,1-2,4-5,10-11H2"	C1CCCC2C=CC(CC1)N3N2C(=O)N(C3=O)C4=CC=CC=C4	KCCBRKZILJEGQS-UHFFFAOYSA-N
DG57821	"5-Methyl-2,2-bis(3-nitrophenyl)-3,4-diazabicyclo[3.1.0]hex-3-ene"	392964	"NSC694178; 5-methyl-2,2-bis(3-nitrophenyl)-3,4-diazabicyclo[3.1.0]hex-3-ene; CHEMBL1973299; NSC-694178; NCI60_033706; 4,4-Bis(3-(hydroxy(oxido)amino)phenyl)-1-methyl-2,3-diazabicyclo[3.1.0]hex-2-ene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694178	.	.	.	.	338.32	C17H14N4O4	116	579	3.5	25	0	6	2	"InChI=1S/C17H14N4O4/c1-16-10-15(16)17(19-18-16,11-4-2-6-13(8-11)20(22)23)12-5-3-7-14(9-12)21(24)25/h2-9,15H,10H2,1H3"	CC12CC1C(N=N2)(C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-]	BMUYEZQNLCZIIN-UHFFFAOYSA-N
DG57822	"5-(5-Ethyl-2-ethylsulfonyl-3-thienyl)-1,3,4-oxathiazol-2-one"	392970	"NSC694212; CHEMBL1979150; NSC-694212; NCI60_033711; 5-(5-Ethyl-2-(ethylsulfonyl)-3-thienyl)-1,3,4-oxathiazol-2-one; 5-(5-ethyl-2-ethylsulfonyl-3-thienyl)-1,3,4-oxathiazol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694212	.	.	.	.	305.4	C10H11NO4S3	135	468	2.6	18	0	7	4	"InChI=1S/C10H11NO4S3/c1-3-6-5-7(8-11-17-10(12)15-8)9(16-6)18(13,14)4-2/h5H,3-4H2,1-2H3"	CCC1=CC(=C(S1)S(=O)(=O)CC)C2=NSC(=O)O2	ISZFPBSHNMKTTE-UHFFFAOYSA-N
DG57823	"5,6-Dihydrazino[1,2,5]oxadiazolo[3,4-b]pyrazine"	392978	"180622-15-5; NSC694220; 5,6-Dihydrazino[1,2,5]oxadiazolo[3,4-b]pyrazine; [1,2,5]Oxadiazolo[3,4-b]pyrazinedione,1,3-dihydro-,dihydrazone(9CI); (5-hydrazinyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl)hydrazine; C4H6N8O; 5,6-Bis(hydrazino)[1,2,5]oxadiazolo[3,4-b]pyrazine; CHEMBL1973264; SCHEMBL12858715; ZINC4342506; MFCD00456526; STK746460; AKOS001708675; MCULE-6772407908; NSC-694220; 5,6-dihydrazino-furazano[3,4-b]pyrazine; NCI60_033719; 5,6-dihydrazinyl[1,2,5]oxadiazolo[3,4-b]pyrazine; 5,6-Dihydrazino[1,2,5]oxadiazolo[3,4-b]pyrazine #; [1,2,5]Oxadiazolo[3,4-b]pyrazine-5,6(1H,3H)-dione dihydrazone; [1,2,5]Oxadiazolo[3,4-b]pyrazinedione, 1,3-dihydro-, dihydrazone; 1,3-dihydro-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-dione hydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694220	.	.	.	.	182.14	C4H6N8O	141	160	-0.1	13	4	9	2	"InChI=1S/C4H6N8O/c5-9-1-2(10-6)8-4-3(7-1)11-13-12-4/h5-6H2,(H,7,9,11)(H,8,10,12)"	C12=NON=C1N=C(C(=N2)NN)NN	MBFGKQUIQMEAOX-UHFFFAOYSA-N
DG57824	"3-amino-4-(4-bromophenyl)-N-cyano-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamidine"	392984	"NSC694226; CHEMBL1999604; NSC-694226; NCI60_033725; 3-amino-4-(4-bromophenyl)-N-cyano-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamidine; 3-Amino-4-(4-bromophenyl)-N-cyano-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboximidamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694226	.	.	.	.	426.3	C19H16BrN5S	129	596	5.2	26	2	5	2	"InChI=1S/C19H16BrN5S/c20-11-7-5-10(6-8-11)14-12-3-1-2-4-13(12)25-19-15(14)16(22)17(26-19)18(23)24-9-21/h5-8H,1-4,22H2,(H2,23,24)"	C1CCC2=C(C1)C(=C3C(=C(SC3=N2)C(=NC#N)N)N)C4=CC=C(C=C4)Br	HZZUVYBZKGVJCZ-UHFFFAOYSA-N
DG57825	"4-[1-(4-Aminophenyl)-3,4-diphenyl-1-thienyl]aniline"	392992	"NSC694234; CHEMBL1993774; NSC-694234; NCI60_033733; 4-[1-(4-aminophenyl)-3,4-diphenyl-1-thienyl]aniline; 4-(1-(4-Aminophenyl)-3,4-diphenyl-1H-1.lambda.~4~-thien-1-yl)phenylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694234	.	.	.	.	420.6	C28H24N2S	53	597	5.6	31	2	3	4	"InChI=1S/C28H24N2S/c29-23-11-15-25(16-12-23)31(26-17-13-24(30)14-18-26)19-27(21-7-3-1-4-8-21)28(20-31)22-9-5-2-6-10-22/h1-20H,29-30H2"	C1=CC=C(C=C1)C2=CS(C=C2C3=CC=CC=C3)(C4=CC=C(C=C4)N)C5=CC=C(C=C5)N	CRJQJLXKIAVCAA-UHFFFAOYSA-N
DG57826	"N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide"	393001	"NSC694253; N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide; Oprea1_460867; Oprea1_775177; SCHEMBL5731624; CHEMBL2004817; ZINC1900274; STK846793; AKOS000595861; AKOS005627436; MCULE-8916016761; NSC-694253; 313233-81-7; NCI60_033738; EU-0003583; Benzamide, N-2-benzothiazolyl-2-chloro-5-nitro-; SR-01000419870; N-1,3-benzothiazol-2-yl-2-chloro-5-nitrobenzamide; SR-01000419870-1; N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitro-benzamide; N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]-2-chloro-5-nitrobenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694253	.	.	.	.	333.7	C14H8ClN3O3S	116	448	4	22	1	5	2	"InChI=1S/C14H8ClN3O3S/c15-10-6-5-8(18(20)21)7-9(10)13(19)17-14-16-11-3-1-2-4-12(11)22-14/h1-7H,(H,16,17,19)"	C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl	RJVOSSOGDUDYNO-UHFFFAOYSA-N
DG57827	"3-Amino-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one"	393002	"NSC694254; CHEMBL1999379; NSC-694254; 3-amino-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one; NCI60_033739; 3-Amino-2-(1,3-benzothiazol-2-yl)-7-(hydroxy(oxido)amino)-4-(4-methoxyphenyl)-1(2H)-isoquinolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694254	.	.	.	.	444.5	C23H16N4O4S	143	778	4.4	32	1	7	3	"InChI=1S/C23H16N4O4S/c1-31-15-9-6-13(7-10-15)20-16-11-8-14(27(29)30)12-17(16)22(28)26(21(20)24)23-25-18-4-2-3-5-19(18)32-23/h2-12H,24H2,1H3"	COC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4)N	TVBATBXJNMITFV-UHFFFAOYSA-N
DG57828	"4-Methylbenzenesulfonic acid; 7-methyl-5-[2-(2-pyridyl)ethylamino]benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile"	393007	"NSC694259; CHEMBL1979906; NSC-694259; 4-methylbenzenesulfonic acid; 7-methyl-5-[2-(2-pyridyl)ethylamino]benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile; Toluene-4-sulfonate6-cyano-7-methyl-5-(2-pyridin-2-yl-ethylamino)-benzo[4,5]imidazo[1,2-a]quinolin-7-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694259	.	.	.	.	549.6	C31H27N5O3S	123	807	.	40	1	6	4	"InChI=1S/C24H19N5.C7H8O3S/c1-28-21-11-4-5-12-22(21)29-20-10-3-2-9-18(20)23(19(16-25)24(28)29)27-15-13-17-8-6-7-14-26-17;1-6-2-4-7(5-3-6)11(8,9)10/h2-12,14H,13,15H2,1H3;2-5H,1H3,(H,8,9,10)"	CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C(C3=CC=CC=C3N2C4=CC=CC=C41)NCCC5=CC=CC=N5)C#N	QINZHXZMMXNNFJ-UHFFFAOYSA-N
DG57829	"5-Chloro-3-nitro-benzimidazolo[1,2-a]quinoline-6-carbonitrile"	393011	"NSC694261; CHEMBL1970181; NSC-694261; NCI60_033746; 5-chloro-3-nitro-benzimidazolo[1,2-a]quinoline-6-carbonitrile; Benzimidazo[1,2-a]quinoline-6-carbonitrile, 5-chloro-3-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694261	.	.	.	.	322.7	C16H7ClN4O2	86.9	544	4.7	23	0	4	0	InChI=1S/C16H7ClN4O2/c17-15-10-7-9(21(22)23)5-6-13(10)20-14-4-2-1-3-12(14)19-16(20)11(15)8-18/h1-7H	C1=CC=C2C(=C1)N=C3N2C4=C(C=C(C=C4)[N+](=O)[O-])C(=C3C#N)Cl	RLTLLIMCLGWMFF-UHFFFAOYSA-N
DG57830	"4-Methylbenzenesulfonic acid; 7-methyl-5-(3-morpholinopropylamino)benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile"	393012	"NSC694262; CHEMBL1997813; NSC-694262; 4-methylbenzenesulfonic acid; 7-methyl-5-(3-morpholinopropylamino)benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile; Toluene-4-sulfonate6-cyano-7-methyl-5-(3-morpholin-4-yl-propylamino)-benzo[4,5]imidazo[1,2-a]quinolin-7-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694262	.	.	.	.	571.7	C31H33N5O4S	122	821	.	41	1	7	5	"InChI=1S/C24H25N5O.C7H8O3S/c1-27-21-9-4-5-10-22(21)29-20-8-3-2-7-18(20)23(19(17-25)24(27)29)26-11-6-12-28-13-15-30-16-14-28;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,7-10H,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)"	CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C(C3=CC=CC=C3N2C4=CC=CC=C41)NCCCN5CCOCC5)C#N	VRWQLHFNYHDHIX-UHFFFAOYSA-N
DG57831	"7-Methyl-5-oxo-benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile"	393017	"NSC694265; 90656-66-9; Oprea1_024437; CHEMBL1984590; SCHEMBL14586970; ZINC162479; STL338719; AKOS001015147; MCULE-3090646771; NSC-694265; 7-methyl-5-oxo-5,7-dihydrobenzo[4,5]imidazo[1,2-a][1,8]naphthyridine-6-carbonitrile; NCI60_033750; Z56789828; 7-methyl-5-oxo-benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile; 7-methyl-5-oxo-5,7-dihydrobenzimidazo[1,2-a][1,8]naphthyridine-6-carbonitrile; Benzimidazo[1,2-a][1,8]naphthyridine-6-carbonitrile, 5,7-dihydro-7-methyl-5-oxo-; 11-methyl-8-oxo-1,3,11-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,9,12(17),13,15-heptaene-9-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694265	.	.	.	.	274.28	C16H10N4O	60.2	560	2.4	21	0	5	0	"InChI=1S/C16H10N4O/c1-19-12-6-2-3-7-13(12)20-15-10(5-4-8-18-15)14(21)11(9-17)16(19)20/h2-8H,1H3"	CN1C2=CC=CC=C2N3C1=C(C(=O)C4=C3N=CC=C4)C#N	GNPMESIGMJRUQB-UHFFFAOYSA-N
DG57832	"13-Methyl-2,13-dihydro-1H-benzimidazo[1,2-a]pyrazolo[4,3-c]quinolin-1-imine 4-methylbenzenesulfonate"	393018	"NSC694266; NCIChal_000043; CHEMBL1979680; CCG-36445; NSC-694266; 13-Methyl-2,13-dihydro-1H-benzimidazo[1,2-a]pyrazolo[4,3-c]quinolin-1-imine 4-methylbenzenesulfonate; NCI60_033751; 4-methylbenzenesulfonic acid; methyl[ ]imine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694266	.	.	.	.	459.5	C24H21N5O3S	123	649	.	33	2	7	1	"InChI=1S/C17H13N5.C7H8O3S/c1-21-12-8-4-5-9-13(12)22-11-7-3-2-6-10(11)15-14(17(21)22)16(18)20-19-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-9H,1H3,(H2,18,20);2-5H,1H3,(H,8,9,10)"	CC1=CC=C(C=C1)S(=O)(=O)O.CN1C2=CC=CC=C2N3C1=C4C(=NN=C4N)C5=CC=CC=C53	POQYYJWQHIPBMV-UHFFFAOYSA-N
DG57833	"5-(3-Imidazol-1-ylpropylamino)-7-methyl-benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile; 4-methylbenzenesulfonic acid"	393022	"NSC694268; CHEMBL1978240; NSC-694268; 5-(3-imidazol-1-ylpropylamino)-7-methyl-benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile; 4-methylbenzenesulfonic acid; Toluene-4-sulfonate6-cyano-5-(3-imidazol-1-yl-propylamino)-7-methyl-benzo[4,5]imidazo[1,2-a]quinolin-7-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694268	.	.	.	.	552.6	C30H28N6O3S	128	809	.	40	1	6	5	"InChI=1S/C23H20N6.C7H8O3S/c1-27-20-9-4-5-10-21(20)29-19-8-3-2-7-17(19)22(18(15-24)23(27)29)26-11-6-13-28-14-12-25-16-28;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,7-10,12,14,16H,6,11,13H2,1H3;2-5H,1H3,(H,8,9,10)"	CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C(C3=CC=CC=C3N2C4=CC=CC=C41)NCCCN5C=CN=C5)C#N	BXOWVKBIUNKJIS-UHFFFAOYSA-N
DG57834	NSC694269	393024	"5-[2-(3-Methoxyphenyl)ethylamino]-7-methyl-benzimidazolo[1,2-a][1,8]naphthyridin-7-ium-6-carbonitrile; 4-methylbenzenesulfonic acid; NSC694269; CHEMBL1985347; NSC-694269; 5-[2-(3-methoxyphenyl)ethylamino]-7-methyl-benzimidazolo[1,2-a][1,8]naphthyridin-7-ium-6-carbonitrile; 4-methylbenzenesulfonic acid; Benzimidazo[1,8]naphthyridin-7-ium, 6-cyano-5-[[2-(3-methoxyphenyl)ethyl]amino]- 7-methyl-, 4-methylbenzenesulfonate; Toluene-4-sulfonate6-cyano-5-[2-(3-methoxy-phenyl)-ethylamino]-7-methyl-1,11b-diaza-7-azonia-benzo[c]fluorene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694269	.	.	.	.	579.7	C32H29N5O4S	132	857	.	42	1	7	5	"InChI=1S/C25H21N5O.C7H8O3S/c1-29-21-10-3-4-11-22(21)30-24-19(9-6-13-28-24)23(20(16-26)25(29)30)27-14-12-17-7-5-8-18(15-17)31-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-11,13,15H,12,14H2,1-2H3;2-5H,1H3,(H,8,9,10)"	CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C(C3=C(N2C4=CC=CC=C41)N=CC=C3)NCCC5=CC(=CC=C5)OC)C#N	OHJXKIBPCNXPLV-UHFFFAOYSA-N
DG57835	4-Chloro-5-nitro-1H-indazole	393038	"4-Chloro-5-nitro-1H-indazole; 907958-42-3; 4-Chloro-5-nitro-(1H)indazole; NSC694316; 1H-Indazole, 4-chloro-5-nitro-; SCHEMBL7543300; CHEMBL1966021; AMY9628; DTXSID40327849; ZINC5543818; MFCD11007841; AKOS006305608; NSC-694316; AS-40431; NCI60_033768; CS-0130996; 4-Chloro-5-(hydroxy(oxido)amino)-1H-indazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694316	.	.	.	.	197.58	C7H4ClN3O2	74.5	220	2	13	1	3	0	"InChI=1S/C7H4ClN3O2/c8-7-4-3-9-10-5(4)1-2-6(7)11(12)13/h1-3H,(H,9,10)"	C1=CC(=C(C2=C1NN=C2)Cl)[N+](=O)[O-]	AXZCWGUWGPLXOR-UHFFFAOYSA-N
DG57836	"6-(1-Piperidinyl)-3,4-dihydro-2(1H)-quinoxalinone"	393057	"NSC694341; 6-(1-Piperidinyl)-3,4-dihydro-2(1H)-quinoxalinone; 907958-93-4; CHEMBL2007364; ZINC1653932; NSC-694341; NCI60_033777; 6-(1-piperidyl)-3,4-dihydro-1H-quinoxalin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694341	.	.	.	.	231.29	C13H17N3O	44.4	288	1.9	17	2	3	1	"InChI=1S/C13H17N3O/c17-13-9-14-12-8-10(4-5-11(12)15-13)16-6-2-1-3-7-16/h4-5,8,14H,1-3,6-7,9H2,(H,15,17)"	C1CCN(CC1)C2=CC3=C(C=C2)NC(=O)CN3	KBULWHZRYOZING-UHFFFAOYSA-N
DG57837	Diethyl 2-[[4-[8-amino-3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoyl]amino]pentanedioate	393058	NSC694342; CHEMBL1999348; NSC-694342; diethyl 2-[[4-[8-amino-3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoyl]amino]pentanedioate; NCI60_033778; Diethyl 2-((4-((8-amino-3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl)oxy)benzoyl)amino)pentanedioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694342	.	.	.	.	610.6	C31H29F3N4O6	143	957	5.1	44	2	12	13	"InChI=1S/C31H29F3N4O6/c1-3-42-25(39)15-14-23(30(41)43-4-2)37-28(40)19-10-12-21(13-11-19)44-29-26(18-8-6-5-7-9-18)36-24-17-20(31(32,33)34)16-22(35)27(24)38-29/h5-13,16-17,23H,3-4,14-15,35H2,1-2H3,(H,37,40)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N	XOIMQSNHAJPJCU-UHFFFAOYSA-N
DG57838	"1-(chloromethyl)-3-[[5-[2-(dimethylamino)ethoxy]indol-2-yl]carbonyl]-5-nitro-1,2-dihydro-3H-benz[e]indole"	393068	"NSC694454; CHEMBL570184; SCHEMBL8107312; NSC-694454; NCI60_033783; 1-(chloromethyl)-3-[[5-[2-(dimethylamino)ethoxy]indol-2-yl]carbonyl]-5-nitro-1,2-dihydro-3H-benz[e]indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694454	.	.	.	.	493	C26H25ClN4O4	94.4	779	4.9	35	1	5	6	"InChI=1S/C26H25ClN4O4/c1-29(2)9-10-35-18-7-8-21-16(11-18)12-22(28-21)26(32)30-15-17(14-27)25-20-6-4-3-5-19(20)23(31(33)34)13-24(25)30/h3-8,11-13,17,28H,9-10,14-15H2,1-2H3"	CN(C)CCOC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)[N+](=O)[O-])CCl	VGNDLIWXFSMOLL-UHFFFAOYSA-N
DG57839	NSC694456	393071	"N-[1-Methyl-3-[[[1-(chloromethyl)-5-amino-1,2-dihydro-3H-benzo[e]indole]-3-yl]carbonyl]-1H-pyrazole-5-yl]-1-methyl-5-(acetylamino)-1H-pyrazole-3-carboxamide; NSC694456; CHEMBL326732; SCHEMBL8107533; NSC-694456; NCI60_033785; N-[1-Methyl-3-[[[1-(chloromethyl)-5-amino-1,2-dihydro-3H-benzo[e]indole]-3-yl]carbonyl]-1H-pyrazole-5-yl]-1-methyl-5-(acetylamino)-1H-pyrazole-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694456	.	.	.	.	521	C25H25ClN8O3	140	894	1.9	37	3	6	5	"InChI=1S/C25H25ClN8O3/c1-13(35)28-21-9-18(30-32(21)2)24(36)29-22-10-19(31-33(22)3)25(37)34-12-14(11-26)23-16-7-5-4-6-15(16)17(27)8-20(23)34/h4-10,14H,11-12,27H2,1-3H3,(H,28,35)(H,29,36)"	CC(=O)NC1=CC(=NN1C)C(=O)NC2=CC(=NN2C)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)CCl	YVRXHFKLQALHEJ-UHFFFAOYSA-N
DG57840	"ethyl 6-benzyl-4-hydroxy-3H-pyrrolo[3,2-e]indole-2-carboxylate"	393085	"NSC694470; CHEMBL1979923; ethyl 6-benzyl-4-hydroxy-3H-pyrrolo[3,2-e]indole-2-carboxylate; Ethyl 6-benzyl-4-hydroxy-3,6-dihydropyrrolo[3,2-e]indole-2-carboxylate; NSC-694470; NCI60_033798"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694470	.	.	.	.	334.4	C20H18N2O3	67.2	480	3.9	25	2	3	5	"InChI=1S/C20H18N2O3/c1-2-25-20(24)16-10-15-14-8-9-22(12-13-6-4-3-5-7-13)17(14)11-18(23)19(15)21-16/h3-11,21,23H,2,12H2,1H3"	CCOC(=O)C1=CC2=C3C=CN(C3=CC(=C2N1)O)CC4=CC=CC=C4	OJFBSSXCIADESG-UHFFFAOYSA-N
DG57841	"Ethyl 6-benzyl-4-oxo-3,5,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate"	393087	NSC694472; CHEMBL2007411; NSC-694472; NCI60_033800	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694472	.	.	.	.	336.4	C20H20N2O3	62.4	580	2.8	25	1	4	5	"InChI=1S/C20H20N2O3/c1-2-25-20(24)16-10-15-14-8-9-22(12-13-6-4-3-5-7-13)17(14)11-18(23)19(15)21-16/h3-7,10,21H,2,8-9,11-12H2,1H3"	CCOC(=O)C1=CC2=C(N1)C(=O)CC3=C2CCN3CC4=CC=CC=C4	BJRCMMRPEDPNGZ-UHFFFAOYSA-N
DG57842	"1-(5-(3-Methyl-5-isoxazolyl)-1H-pyrrol-2-yl)-2,2,2-triphenylethanone"	393091	"NSC694475; CHEMBL1990926; NSC-694475; NCI60_033803; 1-(5-(3-Methyl-5-isoxazolyl)-1H-pyrrol-2-yl)-2,2,2-triphenylethanone; 1-[5-(3-methylisoxazol-5-yl)-1H-pyrrol-2-yl]-2,2,2-triphenyl-ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694475	.	.	.	.	418.5	C28H22N2O2	58.9	573	6	32	1	3	6	"InChI=1S/C28H22N2O2/c1-20-19-26(32-30-20)24-17-18-25(29-24)27(31)28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-19,29H,1H3"	CC1=NOC(=C1)C2=CC=C(N2)C(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5	KYWWGTKCWXHCGV-UHFFFAOYSA-N
DG57843	"Ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate"	393093	"DAMPA Ethyl Ester; 43111-51-9; ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate; NSC694477; CHEMBL1977489; DTXSID10327851; ZINC1653968; ZINC04627871; NSC-694477; NCI60_033805; FT-0665460"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694477	.	.	.	.	353.4	C17H19N7O2	133	472	-0.4	26	2	9	6	"InChI=1S/C17H19N7O2/c1-3-26-16(25)10-4-6-12(7-5-10)24(2)9-11-8-20-15-13(21-11)14(18)22-17(19)23-15/h4-8H,3,9H2,1-2H3,(H4,18,19,20,22,23)"	CCOC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N	BDYWKUSEZMEPPR-UHFFFAOYSA-N
DG57844	"2-[p-[N-[2,4-Diaminopteridin-6-ylmethyl]-N-methylamino]benzoylamino]pentane"	393094	"NSC694478; CHEMBL1213435; NSC-694478; NCI60_033806; 2-[p-[N-[2,4-Diaminopteridin-6-ylmethyl]-N-methylamino]benzoylamino]pentane; 4-[[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino]-N-(1-methylbutyl)benzamide #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694478	.	.	.	.	394.5	C20H26N8O	136	527	0.4	29	3	8	7	"InChI=1S/C20H26N8O/c1-4-5-12(2)24-19(29)13-6-8-15(9-7-13)28(3)11-14-10-23-18-16(25-14)17(21)26-20(22)27-18/h6-10,12H,4-5,11H2,1-3H3,(H,24,29)(H4,21,22,23,26,27)"	CCCC(C)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N	SEOUDLUVPQXRMF-UHFFFAOYSA-N
DG57845	"N-(1-adamantyl)-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzamide"	393096	NSC694480; CHEMBL2001906; NSC-694480; NCI60_033808	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694480	.	.	.	.	458.6	C25H30N8O	136	714	1.3	34	3	8	5	"InChI=1S/C25H30N8O/c1-33(13-18-12-28-22-20(29-18)21(26)30-24(27)31-22)19-4-2-17(3-5-19)23(34)32-25-9-14-6-15(10-25)8-16(7-14)11-25/h2-5,12,14-16H,6-11,13H2,1H3,(H,32,34)(H4,26,27,28,30,31)"	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5	CPJXGSSAFOBYDR-UHFFFAOYSA-N
DG57846	"N-cyclohexyl-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzamide"	393097	NSC694482; CHEMBL1973186; NSC-694482; NCI60_033810	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694482	.	.	.	.	406.5	C21H26N8O	136	563	0.5	30	3	8	5	"InChI=1S/C21H26N8O/c1-29(12-15-11-24-19-17(25-15)18(22)27-21(23)28-19)16-9-7-13(8-10-16)20(30)26-14-5-3-2-4-6-14/h7-11,14H,2-6,12H2,1H3,(H,26,30)(H4,22,23,24,27,28)"	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC4CCCCC4	RDDCVZAYDBQJBH-UHFFFAOYSA-N
DG57847	"2-Methylpropoxycarbonyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate"	393098	NSC694483; CHEMBL1965491; NSC-694483; NCI60_033811	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694483	.	.	.	.	425.4	C20H23N7O4	159	614	0.8	31	2	11	9	"InChI=1S/C20H23N7O4/c1-11(2)10-30-20(29)31-18(28)12-4-6-14(7-5-12)27(3)9-13-8-23-17-15(24-13)16(21)25-19(22)26-17/h4-8,11H,9-10H2,1-3H3,(H4,21,22,23,25,26)"	CC(C)COC(=O)OC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N	FZLCHYQWUQENLV-UHFFFAOYSA-N
DG57848	"Butyric acid, 4-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzamido)-"	393099	"Butyric acid, 4-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzamido)-; 68352-96-5; NSC694484; 6-MAB-gamma-ABU; 4-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzamido)butyric acid; 4-((4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)amino)butanoic acid; CHEMBL1971974; SCHEMBL10079668; SCHEMBL21993478; DTXSID20218488; NSC-694484; Butanoic acid, 4-((4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)amino)-; NCI60_033812; 4-[N-(4-amino-4-deoxy-N10-methylpteroyl)aminobutanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694484	.	.	.	.	410.4	C19H22N8O3	173	586	-1.5	30	4	10	8	"InChI=1S/C19H22N8O3/c1-27(10-12-9-23-17-15(24-12)16(20)25-19(21)26-17)13-6-4-11(5-7-13)18(30)22-8-2-3-14(28)29/h4-7,9H,2-3,8,10H2,1H3,(H,22,30)(H,28,29)(H4,20,21,23,25,26)"	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NCCCC(=O)O	LHEGWARMFBUJMD-UHFFFAOYSA-N
DG57849	"Benzoic acid,4-diaminopteridinyl)-6-methyl] (formyl)amino]-"	393100	"NSC694485; CHEMBL1996188; SCHEMBL14417312; NSC-694485; NCI60_033813; Benzoic acid,4-diaminopteridinyl)-6-methyl] (formyl)amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694485	.	.	.	.	339.31	C15H13N7O3	161	486	-0.4	25	3	9	4	"InChI=1S/C15H13N7O3/c16-12-11-13(21-15(17)20-12)18-5-9(19-11)6-22(7-23)10-3-1-8(2-4-10)14(24)25/h1-5,7H,6H2,(H,24,25)(H4,16,17,18,20,21)"	C1=CC(=CC=C1C(=O)O)N(CC2=CN=C3C(=N2)C(=NC(=N3)N)N)C=O	SRDZMAPGWAOULQ-UHFFFAOYSA-N
DG57850	"2,4-Diamino-7-(4-chloroanilino)methylpteridine"	393101	"NSC694486; CHEMBL1997637; NSC-694486; NCI60_033814; 2,4-Diamino-7-(4-chloroanilino)methylpteridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694486	.	.	.	.	315.76	C14H14ClN7	107	363	1.4	22	2	7	3	"InChI=1S/C14H14ClN7/c1-22(10-4-2-8(15)3-5-10)7-9-6-18-11-12(16)20-14(17)21-13(11)19-9/h2-6H,7H2,1H3,(H4,16,17,19,20,21)"	CN(CC1=CN=C2C(=NC(=NC2=N1)N)N)C3=CC=C(C=C3)Cl	DPOQKIRVGUYUBH-UHFFFAOYSA-N
DG57851	"2-(6,11-Dioxobenzo[b]acridin-12-yl)prop-2-enal"	393103	"NSC694489; Neuro_000474; 2-(6,11-dioxobenzo[b]acridin-12-yl)prop-2-enal; CHEMBL186487; NSC-694489; NCI60_033816; Benz[b]acridine-12-acetaldehyde,11-dihydro- .alpha.-methylene-6,11-dioxo-; Benz[b]acridine-12-acetaldehyde, 6,11-dihydro-.alpha.-methylene-6,11-dioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694489	.	.	.	.	313.3	C20H11NO3	64.099	583	3.5	24	0	4	2	"InChI=1S/C20H11NO3/c1-11(10-22)16-14-8-4-5-9-15(14)21-18-17(16)19(23)12-6-2-3-7-13(12)20(18)24/h2-10H,1H2"	C=C(C=O)C1=C2C(=NC3=CC=CC=C31)C(=O)C4=CC=CC=C4C2=O	GDKOOOSGQUWYIV-UHFFFAOYSA-N
DG57852	"Benz[b]acridine-6, 12,12'-(3,5-pyridinediyl)bis-"	393104	"NSC694490; CHEMBL1965233; NSC-694490; NCI60_033817; Benz[b]acridine-6, 12,12'-(3,5-pyridinediyl)bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694490	.	.	.	.	593.6	C39H19N3O4	107	1160	7.2	46	0	7	2	InChI=1S/C39H19N3O4/c43-36-22-9-1-3-11-24(22)38(45)34-32(36)30(26-13-5-7-15-28(26)41-34)20-17-21(19-40-18-20)31-27-14-6-8-16-29(27)42-35-33(31)37(44)23-10-2-4-12-25(23)39(35)46/h1-19H	C1=CC=C2C(=C1)C(=O)C3=C(C4=CC=CC=C4N=C3C2=O)C5=CC(=CN=C5)C6=C7C(=NC8=CC=CC=C86)C(=O)C9=CC=CC=C9C7=O	QJFMOZBWBXNDRT-UHFFFAOYSA-N
DG57853	"3-(5,12-Dioxo-1,6-diazanaphthacene-11-yl)-4,9-diaza-8H-benzo[fg]naphthacene-8-one"	393105	"NSC694491; CHEMBL1966452; NSC-694491; NCI60_033818; Pyrido[2,12-dione, 11-(8-oxo-8H-benzo[mn]pyrido[2,3-b]acridin-3-yl)-; 3-(5,12-Dioxo-1,6-diazanaphthacene-11-yl)-4,9-diaza-8H-benzo[fg]naphthacene-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694491	.	.	.	.	540.5	C35H16N4O3	103	1130	6.3	42	0	7	1	InChI=1S/C35H16N4O3/c40-33-21-9-5-15-36-29(21)27-20(14-13-18-17-7-1-3-11-23(17)38-31(33)26(18)27)25-19-8-2-4-12-24(19)39-32-28(25)35(42)30-22(34(32)41)10-6-16-37-30/h1-16H	C1=CC=C2C(=C1)C3=C4C(=C(C=C3)C5=C6C(=NC7=CC=CC=C75)C(=O)C8=C(C6=O)N=CC=C8)C9=C(C=CC=N9)C(=O)C4=N2	VJZVLHAOKCPSFM-UHFFFAOYSA-N
DG57854	"12-Methyl-12H-7-oxa-12-azadibenz[a,e]azulene-5-carboxylic acid methyl ester"	393109	"NSC694497; CHEMBL1988002; NSC-694497; NCI60_033822; 12-Methyl-12H-7-oxa-12-azadibenz[a,e]azulene-5-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694497	.	.	.	.	305.3	C19H15NO3	40.5	503	3.3	23	0	3	2	"InChI=1S/C19H15NO3/c1-20-16-10-6-5-9-14(16)18-17(20)13-8-4-3-7-12(13)15(11-23-18)19(21)22-2/h3-11H,1-2H3"	CN1C2=CC=CC=C2C3=C1C4=CC=CC=C4C(=CO3)C(=O)OC	AQXIHWIKUQDALC-UHFFFAOYSA-N
DG57855	"4-(3-Diethylaminopropylamino)-5-methyl-6H-pyridazino[4,5-b]carbazole"	393110	"NSC694498; CHEMBL1970084; NSC-694498; NCI60_033823; 4-(3-Diethylaminopropylamino)-5-methyl-6H-pyridazino[4,5-b]carbazole; N,N-Diethyl-N'-(5-methyl-6H-pyridazino[4,5-b]carbazole-4-yl)-1,3-propanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694498	.	.	.	.	361.5	C22H27N5	52	886	4.3	27	2	5	7	"InChI=1S/C22H27N5/c1-4-27(5-2)12-8-11-23-22-20-15(3)21-18(13-16(20)14-24-26-22)17-9-6-7-10-19(17)25-21/h6-7,9-10,13-14,23,26H,4-5,8,11-12H2,1-3H3"	CCN(CC)CCCNC1=C2C(=C3C(=C4C=CC=CC4=N3)C=C2C=NN1)C	GOSNSUDBFLXOEB-UHFFFAOYSA-N
DG57856	Sjg-136	393111	"SJG-136; 232931-57-6; SJG 136; NSC-694501; UNII-KT0ZQ64X1A; SG-2000; UP 2001; KT0ZQ64X1A; (6aS)-3-[3-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-methylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one; BN-2629; NSC 694501; SJG136; NSC694501; CHEMBL16498; SCHEMBL12020905; DTXSID20177864; ZINC3994495; CS-4593; DB11965; SP-2001; UP-2001; 5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 8,8'-[1,3-propanediylbis(oxy)]bis[1,2,3,11a-tetrahydro-7-methoxy-2-methylene-, (11aS,11'aS)-; BS-42683; HY-14573; NCI60_033825; C74198; A858346; Q27282424; (11AS,11a'S)-8,8'-(propane-1,3-diylbis(oxy))bis(7-methoxy-2-methylene-1,2,3,11a-tetrahydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one); (11aS,11a'S)-8,8'-(propane-1,3-diylbis(oxy))bis(7-methoxy-2-methylene-1,2,3,11a-tetrahydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one);1,1'-(propane-1,3-diylbis(oxy))bis(7-methoxy-2-methylene-1,2,3,11a-tetrahydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5,11(10H)-dione); 1,1'-((Propane-1,3-diyl)dioxy)bis(7-methoxy-2-methylidene-1,2,3,10,11,11a-hexahydro-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5,11-dione); 5H-Pyrrolo[2,4]benzodiazepin-5-one, 8,8'-[1,3-propanediylbis(oxy)]bis[1,2,3,11a-tetrahydro- 7-methoxy-2-methylene-, (11aS, 11'aS)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694501	.	.	.	.	556.6	C31H32N4O6	102	1020	1.9	41	0	8	8	"InChI=1S/C31H32N4O6/c1-18-8-20-14-32-24-12-28(26(38-3)10-22(24)30(36)34(20)16-18)40-6-5-7-41-29-13-25-23(11-27(29)39-4)31(37)35-17-19(2)9-21(35)15-33-25/h10-15,20-21H,1-2,5-9,16-17H2,3-4H3/t20-,21-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CC(=C)C[C@H]3C=N2)OCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CC(=C)CN6C5=O)OC	RWZVMMQNDHPRQD-SFTDATJTSA-N
DG57857	9-((2-Ethoxy-1-(mercaptomethyl)-2-oxoethyl)amino)-9-oxononanoic acid	393120	NSC694520; CHEMBL1996544; NSC-694520; NCI60_033834; 9-((2-Ethoxy-1-(mercaptomethyl)-2-oxoethyl)amino)-9-oxononanoic acid; 9-[[2-ethoxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-9-oxo-nonanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694520	.	.	.	.	319.42	C14H25NO5S	93.7	335	1.9	21	3	6	13	"InChI=1S/C14H25NO5S/c1-2-20-14(19)11(10-21)15-12(16)8-6-4-3-5-7-9-13(17)18/h11,21H,2-10H2,1H3,(H,15,16)(H,17,18)"	CCOC(=O)C(CS)NC(=O)CCCCCCCC(=O)O	HMLOPVWBBMGPLP-UHFFFAOYSA-N
DG57858	"N,N'-bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]decanediamide"	393129	"NSC694527; CHEMBL1979582; NSC-694527; N,N'-bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]decanediamide; NCI60_033841; 7,7'-[Octamethylenebis(carbonylimino-4,1-phenylene)]bis[10,11-dihydro-10,10-dimethylbenzo[c]acridine-8(9H)-one]; N~1~,N~10~-Bis(4-(10,10-dimethyl-8-oxo-8,9,10,11-tetrahydrobenzo[c]acridin-7-yl)phenyl)decanediamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694527	.	.	.	.	899.1	C60H58N4O4	118	1640	12.9	68	2	6	13	"InChI=1S/C60H58N4O4/c1-59(2)33-47-55(49(65)35-59)53(45-31-25-37-15-11-13-17-43(37)57(45)63-47)39-21-27-41(28-22-39)61-51(67)19-9-7-5-6-8-10-20-52(68)62-42-29-23-40(24-30-42)54-46-32-26-38-16-12-14-18-44(38)58(46)64-48-34-60(3,4)36-50(66)56(48)54/h11-18,21-32H,5-10,19-20,33-36H2,1-4H3,(H,61,67)(H,62,68)"	CC1(CC2=C(C(=O)C1)C(=C3C=CC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)NC(=O)CCCCCCCCC(=O)NC6=CC=C(C=C6)C7=C8C=CC9=CC=CC=C9C8=NC1=C7C(=O)CC(C1)(C)C)C	HSLKXZLZJFDIRY-UHFFFAOYSA-N
DG57859	"11-[4-(8,10-Dioxaspiro[5.5]undec-3-en-9-yl)phenoxy]undecan-1-ol"	393133	"NSC694535; CHEMBL1967577; 11-[4-(8,10-dioxaspiro[5.5]undec-3-en-9-yl)phenoxy]undecan-1-ol; NSC-694535; NCI60_033845; 11-(4-(2,4-Dioxaspiro[5.5]undec-8-en-3-yl)phenoxy)-1-undecanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694535	.	.	.	.	416.6	C26H40O4	47.9	462	6.4	30	1	4	13	"InChI=1S/C26H40O4/c27-19-11-6-4-2-1-3-5-7-12-20-28-24-15-13-23(14-16-24)25-29-21-26(22-30-25)17-9-8-10-18-26/h8-9,13-16,25,27H,1-7,10-12,17-22H2"	C1CC2(CC=C1)COC(OC2)C3=CC=C(C=C3)OCCCCCCCCCCCO	LAEQHLZIZODUQI-UHFFFAOYSA-N
DG57860	"5,6-Dihydro-4H-pyrrolo[1,2-b][1,2,5]benzothiadiazocin-4-one 11,11-dioxide"	393146	"NSC694559; CHEMBL1966081; 5,6-Dihydro-4H-pyrrolo[1,2-b][1,2,5]benzothiadiazocin-4-one 11,11-dioxide; NSC-694559; NCI60_033850"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694559	.	.	.	.	262.29	C12H10N2O3S	76.6	443	1.1	18	1	3	0	"InChI=1S/C12H10N2O3S/c15-12-10-5-3-7-14(10)18(16,17)11-6-2-1-4-9(11)8-13-12/h1-7H,8H2,(H,13,15)"	C1C2=CC=CC=C2S(=O)(=O)N3C=CC=C3C(=O)N1	IJPXJKORXTYFJA-UHFFFAOYSA-N
DG57861	4-Methoxy-3-[[3-[[4-[(4-methoxy-3-quinolyl)sulfanyl]-3-quinolyl]sulfanylmethylsulfanyl]-4-quinolyl]sulfanyl]quinoline	393153	"NSC694564; CHEMBL1980962; NSC-694564; NCI60_033855; 3,3'-(Methylenebisthio)bis[4-[(4-methoxyquinoline-3-yl)thio]quinoline]; 4-((4-Methoxy-3-quinolinyl)thio)-3-((((4-((4-methoxy-3-quinolinyl)thio)-3-quinolinyl)thio)methyl)thio)quinoline; 4-methoxy-3-[[3-[[4-[(4-methoxy-3-quinolyl)sulfanyl]-3-quinolyl]sulfanylmethylsulfanyl]-4-quinolyl]sulfanyl]quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694564	.	.	.	.	712.9	C39H28N4O2S4	171	969	9.9	49	0	10	10	"InChI=1S/C39H28N4O2S4/c1-44-36-24-11-3-7-15-28(24)40-19-32(36)48-38-26-13-5-9-17-30(26)42-21-34(38)46-23-47-35-22-43-31-18-10-6-14-27(31)39(35)49-33-20-41-29-16-8-4-12-25(29)37(33)45-2/h3-22H,23H2,1-2H3"	COC1=C(C=NC2=CC=CC=C21)SC3=C(C=NC4=CC=CC=C43)SCSC5=C(C6=CC=CC=C6N=C5)SC7=C(C8=CC=CC=C8N=C7)OC	GTVMXVJSJLITHC-UHFFFAOYSA-N
DG57862	3-[[3-[[4-[(4-oxo-1H-quinolin-3-yl)sulfanyl]-3-quinolyl]sulfanylmethylsulfanyl]-4-quinolyl]sulfanyl]-1H-quinolin-4-one	393154	"NSC694565; CHEMBL1990720; NSC-694565; NCI60_033856; 3-((3-((((4-((4-Oxo-1,4-dihydro-3-quinolinyl)thio)-3-quinolinyl)thio)methyl)thio)-4-quinolinyl)thio)-4(1H)-quinolinone; 3-[[3-[[4-[(4-oxo-1H-quinolin-3-yl)sulfanyl]-3-quinolyl]sulfanylmethylsulfanyl]-4-quinolyl]sulfanyl]-1H-quinolin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694565	.	.	.	.	684.9	C37H24N4O2S4	185	1120	9.1	47	2	10	8	"InChI=1S/C37H24N4O2S4/c42-34-22-9-1-5-13-26(22)38-17-30(34)46-36-24-11-3-7-15-28(24)40-19-32(36)44-21-45-33-20-41-29-16-8-4-12-25(29)37(33)47-31-18-39-27-14-6-2-10-23(27)35(31)43/h1-20H,21H2,(H,38,42)(H,39,43)"	C1=CC=C2C(=C1)C(=O)C(=CN2)SC3=C(C=NC4=CC=CC=C43)SCSC5=C(C6=CC=CC=C6N=C5)SC7=CNC8=CC=CC=C8C7=O	VLCKPHNICCKQCR-UHFFFAOYSA-N
DG57863	"2-(4-Bromophenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one"	393160	"NSC694614; CHEMBL1795604; NSC-694614; 2-(4-Bromophenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one; BDBM50346561; NCI60_033862; 2-(4-bromophenyl)-5-methyl-isothiazolo[5,4-b]pyridin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694614	.	.	.	.	321.19	C13H9BrN2OS	58.5	333	3.3	18	0	3	1	"InChI=1S/C13H9BrN2OS/c1-8-6-11-12(15-7-8)18-16(13(11)17)10-4-2-9(14)3-5-10/h2-7H,1H3"	CC1=CC2=C(N=C1)SN(C2=O)C3=CC=C(C=C3)Br	BWZVJLYXJGXATI-UHFFFAOYSA-N
DG57864	"2-(4-Bromophenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3-one"	393162	"NSC694616; CHEMBL1795605; NSC-694616; 2-(4-bromophenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3-one; BDBM50346563; NCI60_033864; 2-(4-bromophenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3(2H)-one; 2-(4-Bromophenyl)-5-(hydroxy(oxido)amino)isothiazolo[5,4-b]pyridin-3(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694616	.	.	.	.	352.17	C12H6BrN3O3S	104	411	2.8	20	0	5	1	InChI=1S/C12H6BrN3O3S/c13-7-1-3-8(4-2-7)15-12(17)10-5-9(16(18)19)6-14-11(10)20-15/h1-6H	C1=CC(=CC=C1N2C(=O)C3=C(S2)N=CC(=C3)[N+](=O)[O-])Br	APCZVVNESMLVLD-UHFFFAOYSA-N
DG57865	"5-Methyl-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one"	393165	"NSC694619; CHEMBL1795607; NSC-694619; 5-Methyl-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one; BDBM50346564; NCI60_033867; 5-methyl-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694619	.	.	.	.	334.4	C19H14N2O2S	67.7	447	4.2	24	0	4	3	"InChI=1S/C19H14N2O2S/c1-13-11-17-18(20-12-13)24-21(19(17)22)14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h2-12H,1H3"	CC1=CC2=C(N=C1)SN(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4	RGPSDCPHLKBKFX-UHFFFAOYSA-N
DG57866	"5-Nitro-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3-one"	393166	"NSC694620; NSC-694620; CHEMBL1795608; NCI60_033868; 5-Nitro-2-(4-phenoxy-phenyl)-isothiazolo[5,4-b]pyridin-3-one; 5-nitro-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694620	.	.	.	.	365.4	C18H11N3O4S	114	529	3.6	26	0	6	3	InChI=1S/C18H11N3O4S/c22-18-16-10-13(21(23)24)11-19-17(16)26-20(18)12-6-8-15(9-7-12)25-14-4-2-1-3-5-14/h1-11H	C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(S3)N=CC(=C4)[N+](=O)[O-]	TZRHOHNOIZWCNF-UHFFFAOYSA-N
DG57867	"2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one"	393167	"NSC694621; CHEMBL95284; NSC-694621; 2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one; BDBM50346565; NCI60_033869; 2-(4-methoxyphenyl)isothiazolo[5,4-b]pyridin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694621	.	.	.	.	258.3	C13H10N2O2S	67.7	318	2.2	18	0	4	2	"InChI=1S/C13H10N2O2S/c1-17-10-6-4-9(5-7-10)15-13(16)11-3-2-8-14-12(11)18-15/h2-8H,1H3"	COC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC=C3	AZVIMHSUSDTTCB-UHFFFAOYSA-N
DG57868	"2-(4-Butylphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one"	393169	"NSC694623; CHEMBL1795610; NSC-694623; 2-(4-Butylphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one; BDBM50346566; NCI60_033871; 2-(4-butylphenyl)isothiazolo[5,4-b]pyridin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694623	.	.	.	.	284.4	C16H16N2OS	58.5	341	4.2	20	0	3	4	"InChI=1S/C16H16N2OS/c1-2-3-5-12-7-9-13(10-8-12)18-16(19)14-6-4-11-17-15(14)20-18/h4,6-11H,2-3,5H2,1H3"	CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC=C3	XNGPPEMGIZDPGJ-UHFFFAOYSA-N
DG57869	"2-(4-Butylphenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3-one"	393170	"NSC694624; CHEMBL1989962; 2-(4-butylphenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3-one; NSC-694624; NCI60_033872; 2-(4-Butylphenyl)-5-(hydroxy(oxido)amino)isothiazolo[5,4-b]pyridin-3(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694624	.	.	.	.	329.4	C16H15N3O3S	104	448	4	23	0	5	4	"InChI=1S/C16H15N3O3S/c1-2-3-4-11-5-7-12(8-6-11)18-16(20)14-9-13(19(21)22)10-17-15(14)23-18/h5-10H,2-4H2,1H3"	CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC(=C3)[N+](=O)[O-]	PJRJESLYPUPUDM-UHFFFAOYSA-N
DG57870	"5-Methyl-2-(4-nitrophenyl)-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one"	393174	"NSC694628; CHEMBL1998265; 5-methyl-2-(4-nitrophenyl)-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one; NSC-694628; NCI60_033876; 2-(4-(Hydroxy(oxido)amino)phenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694628	.	.	.	.	319.29	C13H9N3O5S	122	574	1.6	22	0	6	1	"InChI=1S/C13H9N3O5S/c1-8-6-11-12(14-7-8)22(20,21)15(13(11)17)9-2-4-10(5-3-9)16(18)19/h2-7H,1H3"	CC1=CC2=C(N=C1)S(=O)(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]	QFLXXONRCKVUHA-UHFFFAOYSA-N
DG57871	"2-(4-Butylphenyl)-5-nitro-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one"	393177	"NSC694631; CHEMBL2000727; 2-(4-butylphenyl)-5-nitro-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one; NSC-694631; NCI60_033879; 2-(4-Butylphenyl)-5-(hydroxy(oxido)amino)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694631	.	.	.	.	361.4	C16H15N3O5S	122	619	3.1	25	0	6	4	"InChI=1S/C16H15N3O5S/c1-2-3-4-11-5-7-12(8-6-11)18-16(20)14-9-13(19(21)22)10-17-15(14)25(18,23)24/h5-10H,2-4H2,1H3"	CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2(=O)=O)N=CC(=C3)[N+](=O)[O-]	AIIHCWUZVGZGLE-UHFFFAOYSA-N
DG57872	N-(2-iodophenyl)-N-methyl-cycloheptene-1-carboxamide	393187	NSC694675; CHEMBL1973232; NSC-694675; NCI60_033889; N-(2-iodophenyl)-N-methyl-cycloheptene-1-carboxamide; N-(2-Iodophenyl)-N-methyl-1-cycloheptene-1-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694675	.	.	.	.	355.21	C15H18INO	20.3	327	4.4	18	0	1	2	"InChI=1S/C15H18INO/c1-17(14-11-7-6-10-13(14)16)15(18)12-8-4-2-3-5-9-12/h6-8,10-11H,2-5,9H2,1H3"	CN(C1=CC=CC=C1I)C(=O)C2=CCCCCC2	QPSSPXPNRGPWHG-UHFFFAOYSA-N
DG57873	"N-benzyl-N-(2-iodophenyl)-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide"	393191	"NSC694679; CHEMBL2004759; N-benzyl-N-(2-iodophenyl)-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide; NSC-694679; NCI60_033893; N-Benzyl-N-(2-iodophenyl)-1,4-dioxaspiro[4.5]dec-7-ene-8-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694679	.	.	.	.	475.3	C22H22INO3	38.8	552	4.1	27	0	3	4	"InChI=1S/C22H22INO3/c23-19-8-4-5-9-20(19)24(16-17-6-2-1-3-7-17)21(25)18-10-12-22(13-11-18)26-14-15-27-22/h1-10H,11-16H2"	C1CC2(CC=C1C(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4I)OCCO2	FTKZJCRIVSSNFB-UHFFFAOYSA-N
DG57874	"N-(2-iodophenyl)-N-(2-trimethylsilylethoxymethyl)-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide"	393192	"NSC694680; CHEMBL1967315; NSC-694680; N-(2-iodophenyl)-N-(2-trimethylsilylethoxymethyl)-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide; NCI60_033894; N-(2-Iodophenyl)-N-((2-(trimethylsilyl)ethoxy)methyl)-1,4-dioxaspiro[4.5]dec-7-ene-8-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694680	.	.	.	.	515.5	C21H30INO4Si	48	571	.	28	0	4	7	"InChI=1S/C21H30INO4Si/c1-28(2,3)15-14-25-16-23(19-7-5-4-6-18(19)22)20(24)17-8-10-21(11-9-17)26-12-13-27-21/h4-8H,9-16H2,1-3H3"	C[Si](C)(C)CCOCN(C1=CC=CC=C1I)C(=O)C2=CCC3(CC2)OCCO3	WSVULZLKQSEXSL-UHFFFAOYSA-N
DG57875	"2H-Indol-2-one,3-dihydro-3-(2,2-dimethoxyethyl)-1-[[[2-(trimethylsilyl)ethyl]oxy]methyl]-3-[2-(phenylamino)ethyl]-"	393200	"NSC694688; CHEMBL1971191; NSC-694688; NCI60_033902; 2H-Indol-2-one,3-dihydro-3-(2,2-dimethoxyethyl)- 1-[[[2-(trimethylsilyl)ethyl]oxy]methyl]- 3-[2-(phenylamino)ethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694688	.	.	.	.	470.7	C26H38N2O4Si	60	604	.	33	1	5	13	"InChI=1S/C26H38N2O4Si/c1-30-24(31-2)19-26(15-16-27-21-11-7-6-8-12-21)22-13-9-10-14-23(22)28(25(26)29)20-32-17-18-33(3,4)5/h6-14,24,27H,15-20H2,1-5H3"	COC(CC1(C2=CC=CC=C2N(C1=O)COCC[Si](C)(C)C)CCNC3=CC=CC=C3)OC	BMYZSAZKNZIZRM-UHFFFAOYSA-N
DG57876	"N-(2-Iodophenyl)-3,3-dimethyl-2-methylene-4-pentenamide"	393205	"NSC694693; CHEMBL1986093; NSC-694693; NCI60_033907; N-(2-Iodophenyl)-3,3-dimethyl-2-methylene-4-pentenamide; N-(2-iodophenyl)-3,3-dimethyl-2-methylene-pent-4-enamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694693	.	.	.	.	341.19	C14H16INO	29.1	322	4.1	17	1	1	4	"InChI=1S/C14H16INO/c1-5-14(3,4)10(2)13(17)16-12-9-7-6-8-11(12)15/h5-9H,1-2H2,3-4H3,(H,16,17)"	CC(C)(C=C)C(=C)C(=O)NC1=CC=CC=C1I	QBZZMYOPOQLMLQ-UHFFFAOYSA-N
DG57877	"Dimethyl 1,6,7,10-tetramethylfluoranthene-8,9-dicarboxylate"	393210	"NSC694698; dimethyl 1,6,7,10-tetramethylfluoranthene-8,9-dicarboxylate; CHEMBL1984928; NSC-694698; NCI60_033912; Dimethyl 1,6,7,10-tetramethyl-8,9-fluoranthenedicarboxylate; 1,6,7,10-Tetramethylfluoranthene-8,9-dicarboxylic acid dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694698	.	.	.	.	374.4	C24H22O4	52.6	578	5.7	28	0	4	4	"InChI=1S/C24H22O4/c1-11-7-9-15-10-8-12(2)17-19-14(4)21(24(26)28-6)20(23(25)27-5)13(3)18(19)16(11)22(15)17/h7-10H,1-6H3"	CC1=C2C3=C(C(=C(C(=C3C4=C(C=CC(=C24)C=C1)C)C)C(=O)OC)C(=O)OC)C	GDGBSSOXLHZDQI-UHFFFAOYSA-N
DG57878	NSC694859	393232	"1-[3-[Carbamoyl(2-cyanoethyl)amino]propyl]-3-[4-[[3-[carbamoyl(2-cyanoethyl)amino]propyl-phenyl-carbamoyl]amino]phenyl]-1-phenyl-urea; NSC694859; CHEMBL1978389; NSC-694859; NCI60_033938; Urea, N',N'''-1,4-phenylenebis[N-[3-[(aminocarbonyl)(2-cyanoethyl)amino]propyl]-N-phenyl-; 1-[3-[carbamoyl(2-cyanoethyl)amino]propyl]-3-[4-[[3-[carbamoyl(2-cyanoethyl)amino]propyl-phenyl-carbamoyl]amino]phenyl]-1-phenyl-urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694859	.	.	.	.	652.7	C34H40N10O4	205	1040	1.4	48	4	6	16	"InChI=1S/C34H40N10O4/c35-19-7-21-41(31(37)45)23-9-25-43(29-11-3-1-4-12-29)33(47)39-27-15-17-28(18-16-27)40-34(48)44(30-13-5-2-6-14-30)26-10-24-42(32(38)46)22-8-20-36/h1-6,11-18H,7-10,21-26H2,(H2,37,45)(H2,38,46)(H,39,47)(H,40,48)"	C1=CC=C(C=C1)N(CCCN(CCC#N)C(=O)N)C(=O)NC2=CC=C(C=C2)NC(=O)N(CCCN(CCC#N)C(=O)N)C3=CC=CC=C3	TYWINWSATHJBSM-UHFFFAOYSA-N
DG57879	"1-[(3s,5r)-2-(2-Hydroxyethyl)-3-(2-methylprop-1-enyl)isoxazolidin-5-yl]-5-methyl-pyrimidine-2,4-dione"	393259	"NSC694909; CHEMBL1994851; NSC-694909; 1-[(3s,5r)-2-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)isoxazolidin-5-yl]-5-methyl-pyrimidine-2,4-dione; NCI60_033963; 1-(2-(2-Hydroxyethyl)-3-(2-methyl-1-propenyl)-5-isoxazolidinyl)-5-methyl-2,4(1H,3H)-pyrimidinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694909	.	.	.	.	295.33	C14H21N3O4	82.1	496	0.8	21	2	5	4	"InChI=1S/C14H21N3O4/c1-9(2)6-11-7-12(21-17(11)4-5-18)16-8-10(3)13(19)15-14(16)20/h6,8,11-12,18H,4-5,7H2,1-3H3,(H,15,19,20)/t11-,12-/m1/s1"	CC1=CN(C(=O)NC1=O)[C@H]2C[C@H](N(O2)CCO)C=C(C)C	PUQNTPXZYFLCFE-VXGBXAGGSA-N
DG57880	[1-tert-butoxycarbonyl-2-(5-ethoxycarbonyl-1H-pyrrol-2-yl)-2-hydroxy-ethyl]actinium	393281	NSC694947; NSC-694947; NCI60_033969; [1-tert-butoxycarbonyl-2-(5-ethoxycarbonyl-1H-pyrrol-2-yl)-2-hydroxy-ethyl]actinium	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694947	.	.	.	.	509.34	C14H20AcNO5-	88.6	356	.	21	2	6	8	"InChI=1S/C14H20NO5.Ac/c1-5-19-13(18)10-7-6-9(15-10)11(16)8-12(17)20-14(2,3)4;/h6-8,11,15-16H,5H2,1-4H3;/q-1;"	CCOC(=O)C1=CC=C(N1)C([CH-]C(=O)OC(C)(C)C)O.[Ac]	QNPOLOHQGCQNIN-UHFFFAOYSA-N
DG57881	"1-Benzyl-3,3-dimethoxy-2-pyrrolidinone"	393285	"NSC694950; CHEMBL1976559; NSC-694950; 1-Benzyl-3,3-dimethoxy-2-pyrrolidinone; 1-benzyl-3,3-dimethoxy-pyrrolidin-2-one; NCI60_033972"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694950	.	.	.	.	235.28	C13H17NO3	38.8	270	1	17	0	3	4	"InChI=1S/C13H17NO3/c1-16-13(17-2)8-9-14(12(13)15)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3"	COC1(CCN(C1=O)CC2=CC=CC=C2)OC	NTUHSEUTVCPMJS-UHFFFAOYSA-N
DG57882	Ethyl 4-bromo-5-(4-bromo-3-methyl-isoxazol-5-yl)-1-methyl-pyrrole-2-carboxylate	393292	"NSC694957; CHEMBL1982474; NSC-694957; NCI60_033979; ethyl 4-bromo-5-(4-bromo-3-methyl-isoxazol-5-yl)-1-methyl-pyrrole-2-carboxylate; 1H-Pyrrole-2-carboxylic acid, 4-bromo-5-(4-bromo-3-methyl-5-isoxazolyl)-1-methyl-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694957	.	.	.	.	392.04	C12H12Br2N2O3	57.3	345	3.1	19	0	4	4	"InChI=1S/C12H12Br2N2O3/c1-4-18-12(17)8-5-7(13)10(16(8)3)11-9(14)6(2)15-19-11/h5H,4H2,1-3H3"	CCOC(=O)C1=CC(=C(N1C)C2=C(C(=NO2)C)Br)Br	UUESWILOJVPSEC-UHFFFAOYSA-N
DG57883	"2-Benzyl 6-methyl 2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate"	393313	"NSC694978; SCHEMBL9369927; CHEMBL1980450; 2-Benzyl 6-methyl 2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate; NSC-694978; NCI60_034000; O5-benzyl O8-methyl 5-azabicyclo[2.2.2]oct-2-ene-5,8-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694978	.	.	.	.	301.34	C17H19NO4	55.8	456	2.1	22	0	4	5	"InChI=1S/C17H19NO4/c1-21-16(19)14-9-13-7-8-15(14)18(10-13)17(20)22-11-12-5-3-2-4-6-12/h2-8,13-15H,9-11H2,1H3"	COC(=O)C1CC2CN(C1C=C2)C(=O)OCC3=CC=CC=C3	GPLGSAJHGIIYOS-UHFFFAOYSA-N
DG57884	N-[4-[allyl(methylsulfonyl)amino]-2-methoxy-5-nitro-phenyl]acetamide	393315	NSC694980; CHEMBL1974214; NSC-694980; NCI60_034002; N-[4-[allyl(methylsulfonyl)amino]-2-methoxy-5-nitro-phenyl]acetamide; N-(4-(Allyl(methylsulfonyl)amino)-5-(hydroxy(oxido)amino)-2-methoxyphenyl)acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694980	.	.	.	.	343.36	C13H17N3O6S	130	553	0.7	23	1	7	6	"InChI=1S/C13H17N3O6S/c1-5-6-15(23(4,20)21)11-8-13(22-3)10(14-9(2)17)7-12(11)16(18)19/h5,7-8H,1,6H2,2-4H3,(H,14,17)"	CC(=O)NC1=CC(=C(C=C1OC)N(CC=C)S(=O)(=O)C)[N+](=O)[O-]	MNYBMKNJTAWIOC-UHFFFAOYSA-N
DG57885	N-allyl-N-(7-methoxy-3-methyl-4-nitro-1H-indol-5-yl)methanesulfonamide	393316	NSC694981; CHEMBL1995018; NSC-694981; NCI60_034003; N-allyl-N-(7-methoxy-3-methyl-4-nitro-1H-indol-5-yl)methanesulfonamide; N-Allyl-N-(4-(hydroxy(oxido)amino)-7-methoxy-3-methyl-1H-indol-5-yl)methanesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694981	.	.	.	.	339.37	C14H17N3O5S	117	556	2	23	1	6	5	"InChI=1S/C14H17N3O5S/c1-5-6-16(23(4,20)21)10-7-11(22-3)13-12(9(2)8-15-13)14(10)17(18)19/h5,7-8,15H,1,6H2,2-4H3"	CC1=CNC2=C(C=C(C(=C12)[N+](=O)[O-])N(CC=C)S(=O)(=O)C)OC	AMLCYZHBZIOVGO-UHFFFAOYSA-N
DG57886	3-Bromo-benzoic acid N'-(2-hydroxy-benzoyl)-hydrazide	393333	NSC695041; MLS001207228; 3-Bromo-benzoic acid N'-(2-hydroxy-benzoyl)-hydrazide; SMR000514410; cid_393333; CHEMBL1529192; BDBM53089; HMS2825B10; ZINC325616; AKOS000611940; MCULE-3696265173; NSC-695041; NCI60_034020; 3-Bromo-N'-(2-hydroxybenzoyl)benzohydrazide; N''-(3-bromobenzoyl)-2-hydroxybenzohydrazide; N'-(3-bromobenzoyl)-2-hydroxy-benzohydrazide; N''-(3-bromobenzoyl)-2-hydroxy-benzohydrazide; SR-01000356352; SR-01000356352-1; N''-(3-bromophenyl)carbonyl-2-oxidanyl-benzohydrazide; N''-[(3-bromophenyl)-oxomethyl]-2-hydroxybenzohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695041	.	.	.	.	335.15	C14H11BrN2O3	78.4	364	3.3	20	3	3	2	"InChI=1S/C14H11BrN2O3/c15-10-5-3-4-9(8-10)13(19)16-17-14(20)11-6-1-2-7-12(11)18/h1-8,18H,(H,16,19)(H,17,20)"	C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)Br)O	ULHQLAPEEWNTKE-UHFFFAOYSA-N
DG57887	N'-(2-hydroxybenzoyl)thiophene-2-carbohydrazide	393336	NSC695044; N'-(2-hydroxybenzoyl)thiophene-2-carbohydrazide; SCHEMBL6451275; CHEMBL1992344; 2-Hydroxy-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide; ZINC200491; AKOS000593594; MCULE-4359379674; N'-Salicyloyl-2-thiophenecarbohydrazide; NSC-695044; NCI60_034023; N'-(2-Hydroxybenzoyl)-2-thiophenecarbohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695044	.	.	.	.	262.29	C12H10N2O3S	107	324	2.6	18	3	4	2	"InChI=1S/C12H10N2O3S/c15-9-5-2-1-4-8(9)11(16)13-14-12(17)10-6-3-7-18-10/h1-7,15H,(H,13,16)(H,14,17)"	C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CS2)O	HERHFFPVTWTXIP-UHFFFAOYSA-N
DG57888	2-Chloro-N'-(2-hydroxybenzoyl)benzohydrazide	393338	NSC695046; CHEMBL1969299; ZINC325611; AKOS001460538; MCULE-3535496782; NSC-695046; NCI60_034025; 2-Chloro-N'-(2-hydroxybenzoyl)benzohydrazide; N'-(2-chlorobenzoyl)-2-hydroxy-benzohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695046	.	.	.	.	290.7	C14H11ClN2O3	78.4	364	3.2	20	3	3	2	"InChI=1S/C14H11ClN2O3/c15-11-7-3-1-5-9(11)13(19)16-17-14(20)10-6-2-4-8-12(10)18/h1-8,18H,(H,16,19)(H,17,20)"	C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2Cl)O	VUZIQAHFWOSLGQ-UHFFFAOYSA-N
DG57889	"4-(3-Oxo-1,4-benzothiazin-4-yl)butyl acetate"	393356	"NSC695152; 4-(3-oxo-1,4-benzothiazin-4-yl)butyl acetate; CHEMBL1981263; 4-(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)butyl acetate; NSC-695152; NCI60_034043"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695152	.	.	.	.	279.36	C14H17NO3S	71.9	335	2.2	19	0	4	6	"InChI=1S/C14H17NO3S/c1-11(16)18-9-5-4-8-15-12-6-2-3-7-13(12)19-10-14(15)17/h2-3,6-7H,4-5,8-10H2,1H3"	CC(=O)OCCCCN1C(=O)CSC2=CC=CC=C21	JGOSFPXJWMUXRC-UHFFFAOYSA-N
DG57890	"12CH-4,8,12-trioxadibenzo[cd,mn]pyrene-2,6,10-triamine"	393363	"NSC695170; [ ]triamine; CHEMBL2006953; NSC-695170; NCI60_034049; 12CH-4,8,12-trioxadibenzo[cd,mn]pyrene-2,6,10-triamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695170	.	.	.	.	331.3	C19H13N3O3	106	450	2.1	25	3	6	0	"InChI=1S/C19H13N3O3/c20-7-1-10-16-11(2-7)24-14-5-9(22)6-15-18(14)19(16)17-12(23-10)3-8(21)4-13(17)25-15/h1-6,19H,20-22H2"	C1=C(C=C2C3=C1OC4=CC(=CC5=C4C3C6=C(O5)C=C(C=C6O2)N)N)N	LUOIXKQZXPGMRR-UHFFFAOYSA-N
DG57891	NSC695172	393365	"(1S)-1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,10,18-tricarbaldehyde; NSC695172; CHEMBL1978624; NSC-695172; NCI60_034051; 12c-Methyl-12cH-4,8,12-trioxadibenzo[cd,mn]pyrene-1,5,11-tricarbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695172	.	.	.	.	384.3	C23H12O6	78.9	724	3.1	29	0	6	3	"InChI=1S/C23H12O6/c1-23-17-14-5-2-11(8-24)20(17)28-16-7-4-13(10-26)22(19(16)23)29-21-12(9-25)3-6-15(27-14)18(21)23/h2-10H,1H3/t23-/m0/s1"	C[C@@]12C3=C4C=CC(=C3OC5=C1C(=C(C=C5)C=O)OC6=C(C=CC(=C26)O4)C=O)C=O	IJRTVSDUASYXCQ-QHCPKHFHSA-N
DG57892	NSC695175	393367	"2,3-dihydroxy-N-[2-[(4-methylphenyl)sulfonyl-(1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)amino]ethyl]benzamide; NSC695175; CHEMBL1980260; NSC-695175; NCI60_034054; 2,3-dihydroxy-N-[2-[(methyl[ ]yl)-(p-tolylsulfonyl)amino]ethyl]benzamide; N-(2-((12c-Methyl-12cH-4,8,12-trioxadibenzo[cd,mn]pyren-2-yl)((4-methylphenyl)sulfonyl)amino)ethyl)-2,3-dihydroxybenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695175	.	.	.	.	648.7	C36H28N2O8S	143	1230	6.5	47	3	9	7	"InChI=1S/C36H28N2O8S/c1-20-12-14-22(15-13-20)47(42,43)38(17-16-37-35(41)23-6-3-7-24(39)34(23)40)21-18-29-33-30(19-21)46-28-11-5-9-26-32(28)36(33,2)31-25(44-26)8-4-10-27(31)45-29/h3-15,18-19,39-40H,16-17H2,1-2H3,(H,37,41)"	CC1=CC=C(C=C1)S(=O)(=O)N(CCNC(=O)C2=C(C(=CC=C2)O)O)C3=CC4=C5C(=C3)OC6=CC=CC7=C6C5(C8=C(O7)C=CC=C8O4)C	HLYGEERGAYZBBH-UHFFFAOYSA-N
DG57893	NSC695176	393368	"N-(2-aminoethyl)-4-methyl-N-(8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzenesulfonamide; NSC695176; CHEMBL1998873; NSC-695176; NCI60_034055; N-(2-aminoethyl)-4-methyl-N-[ ]yl-benzenesulfonamide; N-(2-Aminoethyl)-N-(12cH-4,8,12-trioxadibenzo[cd,mn]pyren-2-yl)-4-methylbenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695176	.	.	.	.	498.6	C28H22N2O5S	99.5	877	4.2	36	1	7	5	"InChI=1S/C28H22N2O5S/c1-16-8-10-18(11-9-16)36(31,32)30(13-12-29)17-14-23-27-24(15-17)35-22-7-3-5-20-26(22)28(27)25-19(33-20)4-2-6-21(25)34-23/h2-11,14-15,28H,12-13,29H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)N(CCN)C2=CC3=C4C5C6=C(C=CC=C6OC4=C2)OC7=C5C(=CC=C7)O3	BUGVTHSRUAINBM-UHFFFAOYSA-N
DG57894	"12c-Methyl-12cH-4,12-trioxadibenzo[c,d,mn]pyren-6-yloxamic acid, ethyl ester"	393369	"NSC695177; CHEMBL1972313; NSC-695177; NCI60_034056; methyl 2-[(methyl[ ]yl)amino]-2-oxo-acetate; 12c-Methyl-12cH-4,12-trioxadibenzo[c,d,mn]pyren- 6-yloxamic acid, ethyl ester; Acetic acid,8,12-trioxadi-benzo[c,d,mn]pyren-6-yl)amino]-2-oxo-, ethyl ester; Acetic acid, 2-[(12c-methyl-12cH-4,8,12-trioxadi-benzo[c,d,mn]pyren-6-yl)amino]-2-oxo-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695177	.	.	.	.	401.4	C23H15NO6	83.1	701	4.1	30	1	6	3	"InChI=1S/C23H15NO6/c1-23-18-12-5-3-7-14(18)29-16-9-11(24-21(25)22(26)27-2)10-17(20(16)23)30-15-8-4-6-13(28-12)19(15)23/h3-10H,1-2H3,(H,24,25)"	CC12C3=C4C=CC=C3OC5=CC(=CC(=C51)OC6=CC=CC(=C26)O4)NC(=O)C(=O)OC	VTOHTWFITOLBPS-UHFFFAOYSA-N
DG57895	3-Hydroxy-4-triisopropylsilyloxy-bicyclo[2.2.2]octane-5-carboxylic acid	393381	NSC695214; CHEMBL1988788; NSC-695214; NCI60_034071; 3-hydroxy-4-triisopropylsilyloxy-bicyclo[2.2.2]octane-5-carboxylic acid; 6-Hydroxy-1-((triisopropylsilyl)oxy)bicyclo[2.2.2]octane-2-carboxylic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695214	.	.	.	.	342.5	C18H34O4Si	66.8	427	.	23	2	4	6	"InChI=1S/C18H34O4Si/c1-11(2)23(12(3)4,13(5)6)22-18-8-7-14(10-16(18)19)9-15(18)17(20)21/h11-16,19H,7-10H2,1-6H3,(H,20,21)"	CC(C)[Si](C(C)C)(C(C)C)OC12CCC(CC1C(=O)O)CC2O	SRCNKDRSZASSMC-UHFFFAOYSA-N
DG57896	5-(Hydroxymethyl)-4-triisopropylsilyloxy-bicyclo[2.2.2]octan-3-ol	393382	NSC695215; CHEMBL2007515; NSC-695215; NCI60_034072; 5-(hydroxymethyl)-4-triisopropylsilyloxy-bicyclo[2.2.2]octan-3-ol; 6-(Hydroxymethyl)-1-((triisopropylsilyl)oxy)bicyclo[2.2.2]octan-2-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695215	.	.	.	.	328.6	C18H36O3Si	49.7	361	.	22	2	3	6	"InChI=1S/C18H36O3Si/c1-12(2)22(13(3)4,14(5)6)21-18-8-7-15(10-17(18)20)9-16(18)11-19/h12-17,19-20H,7-11H2,1-6H3"	CC(C)[Si](C(C)C)(C(C)C)OC12CCC(CC1CO)CC2O	YONZTXUKJXVFES-UHFFFAOYSA-N
DG57897	"6-Methylbenzimidazo[2,1-a]isoquinoline-5-carbonitrile"	393408	"NSC695251; 6-Methylbenzimidazo[2,1-a]isoquinoline-5-carbonitrile; 6-methylbenzimidazolo[2,1-a]isoquinoline-5-carbonitrile; CHEMBL1996825; NSC-695251; NCI60_034094"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695251	.	.	.	.	257.29	C17H11N3	41.1	425	4.6	20	0	2	0	"InChI=1S/C17H11N3/c1-11-14(10-18)12-6-2-3-7-13(12)17-19-15-8-4-5-9-16(15)20(11)17/h2-9H,1H3"	CC1=C(C2=CC=CC=C2C3=NC4=CC=CC=C4N13)C#N	KWWBYCSMNGLBLX-UHFFFAOYSA-N
DG57898	Bis[4-amino-3-cyanophenyl]sulfide	393410	"Bis[4-amino-3-cyanophenyl]sulfide; NSC695264; 2-amino-5-(4-amino-3-cyanophenyl)sulfanylbenzonitrile; 61382-02-3; Benzonitrile, 3,3'-thiobis[6-amino-; CHEMBL1983928; DTXSID30327853; ZINC344345; MCULE-6722327269; NSC-695264; NCI60_034098; AE-413/36101002; 2-amino-5-(4-amino-3-cyano-phenyl)sulfanyl-benzonitrile; 2-amino-5-[(4-amino-3-cyanophenyl)sulfanyl]benzonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695264	.	.	.	.	266.32	C14H10N4S	125	368	3.2	19	2	5	2	"InChI=1S/C14H10N4S/c15-7-9-5-11(1-3-13(9)17)19-12-2-4-14(18)10(6-12)8-16/h1-6H,17-18H2"	C1=CC(=C(C=C1SC2=CC(=C(C=C2)N)C#N)C#N)N	HSUYVLRLGOKVNJ-UHFFFAOYSA-N
DG57899	5-(3-Carboxy-4-nitro-phenyl)sulfanyl-2-nitro-benzoic acid	393411	"NSC695265; SCHEMBL504562; 3-carboxy-4-nitrophenyl sulfide; CHEMBL2004990; 5,5'-Thiobis(2-nitrobenzoic acid); NSC-695265; Benzoic acid, 3,3'-thiobis[6-nitro-; NCI60_034099; 5-(3-carboxy-4-nitro-phenyl)sulfanyl-2-nitro-benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695265	.	.	.	.	364.29	C14H8N2O8S	192	512	2.7	25	2	9	4	"InChI=1S/C14H8N2O8S/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-8-2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20)"	C1=CC(=C(C=C1SC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-]	SVMGGVKPYCCFKL-UHFFFAOYSA-N
DG57900	"6-(2,4-Diaminoquinazolin-6-yl)sulfanylquinazoline-2,4-diamine"	393413	"NSC695267; CHEMBL1973624; 6-(2,4-diaminoquinazolin-6-yl)sulfanylquinazoline-2,4-diamine; NSC-695267; 2,4-Quinazolinediamine, 6,6'-thiobis-; NCI60_034101"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695267	.	.	.	.	350.4	C16H14N8S	181	427	1.8	25	4	9	2	"InChI=1S/C16H14N8S/c17-13-9-5-7(1-3-11(9)21-15(19)23-13)25-8-2-4-12-10(6-8)14(18)24-16(20)22-12/h1-6H,(H4,17,19,21,23)(H4,18,20,22,24)"	C1=CC2=C(C=C1SC3=CC4=C(C=C3)N=C(N=C4N)N)C(=NC(=N2)N)N	QHMGHVKETQACHI-UHFFFAOYSA-N
DG57901	Ethyl 3-(4-fluorophenoxy)quinoxaline-2-carboxylate	393426	NSC695313; ethyl 3-(4-fluorophenoxy)quinoxaline-2-carboxylate; CHEMBL1999785; NSC-695313; NCI60_034114; Ethyl 3-(4-fluorophenoxy)-2-quinoxalinecarboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695313	.	.	.	.	312.29	C17H13FN2O3	61.3	401	3.7	23	0	6	5	"InChI=1S/C17H13FN2O3/c1-2-22-17(21)15-16(23-12-9-7-11(18)8-10-12)20-14-6-4-3-5-13(14)19-15/h3-10H,2H2,1H3"	CCOC(=O)C1=NC2=CC=CC=C2N=C1OC3=CC=C(C=C3)F	MLFFDQNPXOLUIA-UHFFFAOYSA-N
DG57902	"Ethyl 6-(trifluoromethyl)-3-(3,4,5-trimethoxyphenoxy)quinoxaline-2-carboxylate"	393428	"NSC695315; ethyl 6-(trifluoromethyl)-3-(3,4,5-trimethoxyphenoxy)quinoxaline-2-carboxylate; CHEMBL2005000; NSC-695315; NCI60_034116; Ethyl 6-(trifluoromethyl)-3-(3,4,5-trimethoxyphenoxy)-2-quinoxalinecarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695315	.	.	.	.	452.4	C21H19F3N2O6	89	611	4.4	32	0	11	8	"InChI=1S/C21H19F3N2O6/c1-5-31-20(27)17-19(26-14-8-11(21(22,23)24)6-7-13(14)25-17)32-12-9-15(28-2)18(30-4)16(10-12)29-3/h6-10H,5H2,1-4H3"	CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1OC3=CC(=C(C(=C3)OC)OC)OC	CCHQDVAINNQOQW-UHFFFAOYSA-N
DG57903	Ethyl 3-(4-methoxycarbonylphenoxy)quinoxaline-2-carboxylate	393430	NSC695317; CHEMBL1967283; ethyl 3-(4-methoxycarbonylphenoxy)quinoxaline-2-carboxylate; NSC-695317; NCI60_034118; Ethyl 3-(4-(methoxycarbonyl)phenoxy)-2-quinoxalinecarboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695317	.	.	.	.	352.3	C19H16N2O5	87.6	492	3.5	26	0	7	7	"InChI=1S/C19H16N2O5/c1-3-25-19(23)16-17(21-15-7-5-4-6-14(15)20-16)26-13-10-8-12(9-11-13)18(22)24-2/h4-11H,3H2,1-2H3"	CCOC(=O)C1=NC2=CC=CC=C2N=C1OC3=CC=C(C=C3)C(=O)OC	MHFICXMYDXGOBG-UHFFFAOYSA-N
DG57904	"3-(3,5-Dimethoxyphenoxy)-2-phenyl-7-(trifluoromethyl)quinoxalin-5-amine"	393436	"NSC695323; 3-(3,5-dimethoxyphenoxy)-2-phenyl-7-(trifluoromethyl)quinoxalin-5-amine; CHEMBL1969838; NSC-695323; NCI60_034124; 3-(3,5-Dimethoxyphenoxy)-2-phenyl-7-(trifluoromethyl)-5-quinoxalinamine; 3-(3,5-Dimethoxyphenoxy)-2-phenyl-7-(trifluoromethyl)-5-quinoxalinylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695323	.	.	.	.	441.4	C23H18F3N3O3	79.5	593	4.9	32	1	9	5	"InChI=1S/C23H18F3N3O3/c1-30-15-10-16(31-2)12-17(11-15)32-22-20(13-6-4-3-5-7-13)28-19-9-14(23(24,25)26)8-18(27)21(19)29-22/h3-12H,27H2,1-2H3"	COC1=CC(=CC(=C1)OC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N)OC	DKYYDSXSBUVENM-UHFFFAOYSA-N
DG57905	Asimicinone	393461	Asimicinone; CHEMBL1981927; NSC695394; NSC-695394; NCI60_034148	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695394	.	.	.	.	622.9	C37H66O7	102	788	9.4	44	2	7	25	"InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29 ,30-,31-,32-,33-,34-,35-,36-/m1/s1"	CCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCCCCCCCC[C@@H]3CC(C(=O)O3)CC(=O)C)O)O	KGGVWMAPBXIMEM-YKUMBOSTSA-N
DG57906	Trilobacinone	393462	Trilobacinone; CHEMBL448053; NSC695395; NSC-695395; NCI60_034149	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695395	.	.	.	.	622.9	C37H66O7	102	788	9.4	44	2	7	25	"InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29 ,30-,31-,32-,33-,34-,35+,36-/m1/s1"	CCCCCCCCCC[C@H]([C@H]1CC[C@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCCCCCCCC[C@@H]3CC(C(=O)O3)CC(=O)C)O)O	KGGVWMAPBXIMEM-JZJUQUEYSA-N
DG57907	Longimicin A	393466	Longimicin A; NSC695399; CHEMBL51764; NSC-695399; NCI60_034153	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695399	.	.	.	.	622.9	C37H66O7	105	801	9.7	44	3	7	25	"InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-14-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30+,31+,32+,33+,34+,35+,36+/m0/s1"	CCCCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCCCC[C@H](CC3=C[C@@H](OC3=O)C)O)O)O	JXPQTEZDMVYIHK-UOCXRWNNSA-N
DG57908	Longimicin D	393467	Longimicin D; NSC695400; CHEMBL300675; NSC-695400; NCI60_034155	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695400	.	.	.	.	622.9	C37H66O7	105	801	9.7	44	3	7	25	"InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-21-30(38)19-16-13-11-12-15-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30+,31+,32+,33+,34+,35+,36+/m0/s1"	CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CC[C@@H](CCCCCCCC3=C[C@@H](OC3=O)C)O)O)O	FOSMCUOHRDBFRX-UOCXRWNNSA-N
DG57909	NSC695404	393471	"(S)-3-[(2R,8R,13R)-13-[(2R)-5alpha-[(S)-1-Hydroxytridecyl]tetrahydrofuran-2beta-yl]-2,8,13-trihydroxytridecyl]-5-methylfuran-2(5H)-one; Annonacin A; CHEMBL1992986; NSC695404; NSC-695404; NCI60_034159; (S)-3-[(2R,8R,13R)-13-[(2R)-5alpha-[(S)-1-Hydroxytridecyl]tetrahydrofuran-2beta-yl]-2,8,13-trihydroxytridecyl]-5-methylfuran-2(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695404	.	.	.	.	596.9	C35H64O7	116	726	8.4	42	4	7	26	"InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30+,31-,32+,33+,34+/m0/s1"	CCCCCCCCCCCC[C@@H]([C@H]1CC[C@@H](O1)[C@@H](CCCC[C@@H](CCCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O)O	XNODZYPOIPVPRF-ZDTLKTIVSA-N
DG57910	Acetogenins	393472	NSC695405; ACETOGENINS; CHEMBL381502; NSC-695405; NCI60_034160	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695405	.	.	.	.	470.6	C26H46O7	116	593	3.9	33	4	7	17	"InChI=1S/C26H46O7/c1-3-4-5-6-11-22(28)23(29)13-14-24(30)25-15-12-21(33-25)10-8-7-9-20(27)17-19-16-18(2)32-26(19)31/h16,18,20-25,27-30H,3-15,17H2,1-2H3"	CCCCCCC(C(CCC(C1CCC(O1)CCCCC(CC2=CC(OC2=O)C)O)O)O)O	CTUPPWQYDNGORK-UHFFFAOYSA-N
DG57911	Annoglaucin	393475	"annoglaucin; NSC695408; CHEMBL2007510; NSC-695408; NCI60_034163; 5-methyl-3-(2,8,13-trihydroxy-13-{5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl}tridecyl)-2,5-dihydrofuran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695408	.	.	.	.	638.9	C37H66O8	126	833	7.8	45	4	8	25	"InChI=1S/C37H66O8/c1-3-4-5-6-7-8-9-13-19-31(40)33-21-23-35(44-33)36-24-22-34(45-36)32(41)20-15-14-17-29(38)16-11-10-12-18-30(39)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3"	CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCC(CCCCCC(CC3=CC(OC3=O)C)O)O)O)O	QFFLFGFTHVFFDL-UHFFFAOYSA-N
DG57912	"3-acetyl-5-[11-hydroxy-11-[(2R,5R)-5-(1-hydroxytridecyl)oxolan-2-yl]-5-oxoundecyl]oxolan-2-one"	393476	CHEMBL1995534; NSC695409; NSC-695409; NCI60_034164	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695409	.	.	.	.	580.8	C34H60O7	110	739	7.8	41	2	7	25	"InChI=1S/C34H60O7/c1-3-4-5-6-7-8-9-10-11-14-21-30(37)32-23-24-33(41-32)31(38)22-15-12-13-18-27(36)19-16-17-20-28-25-29(26(2)35)34(39)40-28/h28-33,37-38H,3-25H2,1-2H3/t28 ,29 ,30 ,31 ,32-,33-/m1/s1"	CCCCCCCCCCCCC([C@H]1CC[C@@H](O1)C(CCCCCC(=O)CCCCC2CC(C(=O)O2)C(=O)C)O)O	MQBRFDUVPJNHBO-RJHGUPFNSA-N
DG57913	NSC695583	393525	"(1S,4S,5R,8S,12R,13R)-1,5,9-trimethyl-10-[[(1S,4S,5R,8S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane; NSC695583; CHEMBL2003141; NSC-695583; NCI60_034171"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695583	.	.	.	.	518.7	C30H46O7	64.599	886	5.9	37	0	7	2	"InChI=1S/C30H46O7/c1-15-7-9-21-17(3)23(32-25-29(21)19(15)11-13-27(5,34-25)36-29)31-24-18(4)22-10-8-16(2)20-12-14-28(6)35-26(33-24)30(20,22)37-28/h15-26H,7-14H2,1-6H3/t15-,16-,17 ,18 ,19+,20+,21+,22+,23 ,24 ,25-,26-,27-,28-,29-,30-/m1/s1"	C[C@@H]1CC[C@H]2C(C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(O4)C)OC5C([C@@H]6CC[C@H]([C@H]7[C@]68[C@H](O5)O[C@](O8)(CC7)C)C)C)C	KQEOZJHTBAWJLC-PQMZQSAWSA-N
DG57914	"(4-nitrophenyl)methyl N-[1-(chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenzo[e]indol-5-yl]carbamate"	393527	"NSC695585; CHEMBL84463; SCHEMBL5623239; NSC-695585; (4-nitrophenyl)methyl N-[1-(chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenzo[e]indol-5-yl]carbamate; NCI60_034173; 4-(Hydroxy(oxido)amino)benzyl 1-(chloromethyl)-3-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-2,3-dihydro-1H-benzo[e]indol-5-ylcarbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695585	.	.	.	.	645.1	C33H29ClN4O8	148	1090	5.9	46	2	8	9	"InChI=1S/C33H29ClN4O8/c1-43-27-13-19-12-25(35-29(19)31(45-3)30(27)44-2)32(39)37-16-20(15-34)28-23-7-5-4-6-22(23)24(14-26(28)37)36-33(40)46-17-18-8-10-21(11-9-18)38(41)42/h4-14,20,35H,15-17H2,1-3H3,(H,36,40)"	COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)NC(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])CCl)OC)OC	QBXGPDHONUGPPB-UHFFFAOYSA-N
DG57915	Amino MMI-S02 CI	393532	"NSC695588; Amino MMI-S02 CI; CHEMBL160982; NSC-695588; NCI60_034176; 6-Amino-3-chloromethyl-1-[(5-methoxyindole-2-yl)-sufonyl] indoline; 3-(Chloromethyl)-1-((5-methoxy-1H-indol-2-yl)sulfonyl)-6-indolinamine; 3-(chloromethyl)-1-[(5-methoxy-1H-indol-2-yl)sulfonyl]indolin-6-amine; 3-(Chloromethyl)-1-((5-methoxy-1H-indol-2-yl)sulfonyl)-2,3-dihydro-1H-indol-6-ylamine; [[3-(Chloromethyl)-6-amino-2,3-dihydro-1H-indole]-1-yl][5-methoxy-1H-indole-2-yl] sulfone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695588	.	.	.	.	391.9	C18H18ClN3O3S	96.8	613	2.8	26	2	5	4	"InChI=1S/C18H18ClN3O3S/c1-25-14-3-5-16-11(6-14)7-18(21-16)26(23,24)22-10-12(9-19)15-4-2-13(20)8-17(15)22/h2-8,12,21H,9-10,20H2,1H3"	COC1=CC2=C(C=C1)NC(=C2)S(=O)(=O)N3CC(C4=C3C=C(C=C4)N)CCl	ISMNEULRVCNSIM-UHFFFAOYSA-N
DG57916	"1,1'-(4-Methyl-4-azaheptanedioyl) bis[3-(chloromethyl)-6-nitroindoline] hydrochloride"	393536	"NSC695591; CHEMBL2007590; NSC-695591; 1,1'-(4-Methyl-4-azaheptanedioyl) bis[3-(chloromethyl)-6-nitroindoline] hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695591	.	.	.	.	600.9	C25H28Cl3N5O6	136	830	.	39	1	7	8	"InChI=1S/C25H27Cl2N5O6.ClH/c1-28(8-6-24(33)29-14-16(12-26)20-4-2-18(31(35)36)10-22(20)29)9-7-25(34)30-15-17(13-27)21-5-3-19(32(37)38)11-23(21)30;/h2-5,10-11,16-17H,6-9,12-15H2,1H3;1H"	CN(CCC(=O)N1CC(C2=C1C=C(C=C2)[N+](=O)[O-])CCl)CCC(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl.Cl	RPQNWMOEUKZBJL-UHFFFAOYSA-N
DG57917	Amino MBF-Cl	393538	"Amino MBF-Cl; NSC695592; CHEMBL160673; ZINC01654555; NSC-695592; NCI60_034181; 6-Amino-3-chlormethyl-1-[(5-methoxy-benzofuran-2-yl) carbonyl]indoline; [[3-(Chloromethyl)-6-amino-2,3-dihydro-1H-indole]-1-yl][5-methoxybenzofuran-2-yl] ketone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695592	.	.	.	.	356.8	C19H17ClN2O3	68.7	505	3.4	25	1	4	3	"InChI=1S/C19H17ClN2O3/c1-24-14-3-5-17-11(6-14)7-18(25-17)19(23)22-10-12(9-20)15-4-2-13(21)8-16(15)22/h2-8,12H,9-10,21H2,1H3"	COC1=CC2=C(C=C1)OC(=C2)C(=O)N3CC(C4=C3C=C(C=C4)N)CCl	YDBFNALYOSVYCN-UHFFFAOYSA-N
DG57918	"3-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(dimethylamino)cyclobut-3-ene-1,2-dione"	393543	"NSC695605; CHEMBL1981628; NSC-695605; NCI60_034188; Pentitol, 1,4-anhydro-1-C-[2-(dimethylamino)-3,4-dioxo-1-cyclobuten-1-yl]-; 3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(dimethylamino)cyclobut-3-ene-1,2-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695605	.	.	.	.	257.24	C11H15NO6	107	429	-1.9	18	3	7	3	"InChI=1S/C11H15NO6/c1-12(2)6-5(8(15)9(6)16)11-10(17)7(14)4(3-13)18-11/h4,7,10-11,13-14,17H,3H2,1-2H3"	CN(C)C1=C(C(=O)C1=O)C2C(C(C(O2)CO)O)O	JYAQYTZUHKBRLR-UHFFFAOYSA-N
DG57919	Ethyl 3-(1H-benzimidazol-7-ylamino)-3-oxopropanoate	393558	NSC695628; Ethyl 3-(1H-benzimidazol-7-ylamino)-3-oxopropanoate; CHEMBL1977513; NSC-695628; NCI60_034203; ethyl 3-(3H-benzimidazol-4-ylamino)-3-oxo-propanoate; N-(3H-Benzimidazol-4-yl)malonamidic acid ethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695628	.	.	.	.	247.25	C12H13N3O3	84.1	322	1.6	18	2	4	5	"InChI=1S/C12H13N3O3/c1-2-18-11(17)6-10(16)15-9-5-3-4-8-12(9)14-7-13-8/h3-5,7H,2,6H2,1H3,(H,13,14)(H,15,16)"	CCOC(=O)CC(=O)NC1=CC=CC2=C1N=CN2	MNQCTMKWQNNLOI-UHFFFAOYSA-N
DG57920	"1-Nonyl-3-(2',5'-diethoxycarbonyl-1',4'-dihydropyridyl-4')pyridinium bromide"	393566	"NSC695636; CHEMBL2002004; NSC-695636; 1-Nonyl-3-(2',5'-diethoxycarbonyl-1',4'-dihydropyridyl-4')pyridinium bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695636	.	.	.	.	537.5	C27H41BrN2O4	68.5	673	.	34	1	6	15	"InChI=1S/C27H40N2O4.BrH/c1-6-9-10-11-12-13-14-17-29-18-15-16-22(19-29)25-23(26(30)32-7-2)20(4)28-21(5)24(25)27(31)33-8-3;/h15-16,18-19,25H,6-14,17H2,1-5H3;1H"	CCCCCCCCC[N+]1=CC=CC(=C1)C2C(=C(NC(=C2C(=O)OCC)C)C)C(=O)OCC.[Br-]	UJDGJTZVKTYPQJ-UHFFFAOYSA-N
DG57921	1-Adamantyl 4-hydroxy-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate	393569	NSC695638; CHEMBL1982083; ZINC5922826; 1-Adamantyl 4-hydroxy-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate; NSC-695638; NCI60_034213; 1-Adamantyl 4-hydroxy-2-methyl-5-phenylpyrrole-3-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695638	.	.	.	.	351.4	C22H25NO3	62.3	514	5.5	26	2	3	4	"InChI=1S/C22H25NO3/c1-13-18(20(24)19(23-13)17-5-3-2-4-6-17)21(25)26-22-10-14-7-15(11-22)9-16(8-14)12-22/h2-6,14-16,23-24H,7-12H2,1H3"	CC1=C(C(=C(N1)C2=CC=CC=C2)O)C(=O)OC34CC5CC(C3)CC(C5)C4	CUHMBSQJQNUNKB-UHFFFAOYSA-N
DG57922	"13-(3-Morpholin-4-ylpropyl)-17-thia-11,13,14-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,14-hexaen-12-one"	393575	"NSC695645; 3-morpholinopropyl[ ]one; CHEMBL2003981; NSC-695645; NCI60_034220; 2-(3-(4-Morpholinyl)propyl)-2,12-dihydro-3H-naphtho[1,2-b][1,2,4]triazolo[4,3-d][1,4]thiazin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695645	.	.	.	.	382.5	C20H22N4O2S	73.7	595	2.7	27	0	5	4	"InChI=1S/C20H22N4O2S/c25-20-23(9-3-8-22-10-12-26-13-11-22)21-18-14-27-19-16-5-2-1-4-15(16)6-7-17(19)24(18)20/h1-2,4-7H,3,8-14H2"	C1COCCN1CCCN2C(=O)N3C(=N2)CSC4=C3C=CC5=CC=CC=C54	LHWDEJCFTYTPSW-UHFFFAOYSA-N
DG57923	NSC695646	393576	"13-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl]-17-thia-11,13,14-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,14-hexaen-12-one; NSC695646; CHEMBL1994227; NSC-695646; NCI60_034221; 3-[4-(3-chlorophenyl)piperazin-1-yl]propyl[ ]one; 3H-Naphtho[1,2-b]-1,2,4-triazolo[4,3-d][1,4]thiazin-3-one, 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2,12-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695646	.	.	.	.	492	C26H26ClN5OS	67.7	774	5.3	34	0	5	5	"InChI=1S/C26H26ClN5OS/c27-20-6-3-7-21(17-20)30-15-13-29(14-16-30)11-4-12-31-26(33)32-23-10-9-19-5-1-2-8-22(19)25(23)34-18-24(32)28-31/h1-3,5-10,17H,4,11-16,18H2"	C1CN(CCN1CCCN2C(=O)N3C(=N2)CSC4=C3C=CC5=CC=CC=C54)C6=CC(=CC=C6)Cl	IFJGFQAURHHDFU-UHFFFAOYSA-N
DG57924	NSC695650	393579	"13-[[2-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane; NSC695650; CHEMBL1964705; NSC-695650; NCI60_034225; [2-([ ]ylsulfanylmethyl)phenyl]methylsulfanyl[ ]; 8b,8b'-[1,2-Phenylenebis(methylenethio)]bisoctahydro-2a,4a,6a,8a-tetraaza-8blambda~5~-phosphapentaleno[1,6-cd]pentalene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695650	.	.	.	.	566.7	C24H40N8P2S2	76.5	734	1.9	36	0	10	6	"InChI=1S/C24H40N8P2S2/c1-2-4-24(22-36-34-29-13-14-30(34)17-18-32(34)20-19-31(34)16-15-29)23(3-1)21-35-33-25-5-6-26(33)9-10-28(33)12-11-27(33)8-7-25/h1-4H,5-22H2"	C1CN2CCN3P24(N1CCN4CC3)SCC5=CC=CC=C5CSP678N9CCN6CCN7CCN8CC9	OYVLUPXAGFSSPF-UHFFFAOYSA-N
DG57925	NSC695651	393580	"13-[[3-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane; NSC695651; CHEMBL1968385; NSC-695651; NCI60_034226; [3-([ ]ylsulfanylmethyl)phenyl]methylsulfanyl[ ]; 8b,8b'-[1,3-Phenylenebis(methylenethio)]bisoctahydro-2a,4a,6a,8a-tetraaza-8blambda~5~-phosphapentaleno[1,6-cd]pentalene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695651	.	.	.	.	566.7	C24H40N8P2S2	76.5	736	1.9	36	0	10	6	"InChI=1S/C24H40N8P2S2/c1-2-23(21-35-33-25-4-5-26(33)8-9-28(33)11-10-27(33)7-6-25)20-24(3-1)22-36-34-29-12-13-30(34)16-17-32(34)19-18-31(34)15-14-29/h1-3,20H,4-19,21-22H2"	C1CN2CCN3P24(N1CCN4CC3)SCC5=CC(=CC=C5)CSP678N9CCN6CCN7CCN8CC9	GNMMNSKHUNONDB-UHFFFAOYSA-N
DG57926	NSC695652	393581	"13-[[4-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane; NSC695652; CHEMBL1982322; NSC-695652; NCI60_034227; [4-([ ]ylsulfanylmethyl)phenyl]methylsulfanyl[ ]; 8b,8b'-[1,4-Phenylenebis(methylenethio)]bisoctahydro-2a,4a,6a,8a-tetraaza-8blambda~5~-phosphapentaleno[1,6-cd]pentalene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695652	.	.	.	.	566.7	C24H40N8P2S2	76.5	726	1.9	36	0	10	6	"InChI=1S/C24H40N8P2S2/c1-2-24(22-36-34-29-13-14-30(34)17-18-32(34)20-19-31(34)16-15-29)4-3-23(1)21-35-33-25-5-6-26(33)9-10-28(33)12-11-27(33)8-7-25/h1-4H,5-22H2"	C1CN2CCN3P24(N1CCN4CC3)SCC5=CC=C(C=C5)CSP678N9CCN6CCN7CCN8CC9	QZYQYYAEJNWJKQ-UHFFFAOYSA-N
DG57927	"2-(1-Piperazinyl)-5-[1-(4-chlorophenyl)-2-(3-chlorophenyl)ethyl]4,6-dichloropyrimidine"	393584	"NSC695655; CHEMBL2000280; NSC-695655; NCI60_034230; 2-(1-Piperazinyl)-5-[1-(4-chlorophenyl)-2-(3-chlorophenyl)ethyl]-4,6-dichloropyrimidine; 2-(1-Piperazinyl)-5-[1-(4-chlorophenyl)-2-(3-chlorophenyl)ethyl]4,6-dichloropyrimidine; 4,6-dichloro-5-[2-(3-chlorophenyl)-1-(4-chlorophenyl)ethyl]-2-piperazin-1-yl-pyrimidine; Pyrimidine, 4,6-dichloro-5-[2-(3-chlorophenyl)-1-(4-chlorophenyl)ethyl]-2-(1-piperazinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695655	.	.	.	.	482.2	C22H20Cl4N4	41	515	6.9	30	1	4	5	"InChI=1S/C22H20Cl4N4/c23-16-6-4-15(5-7-16)18(13-14-2-1-3-17(24)12-14)19-20(25)28-22(29-21(19)26)30-10-8-27-9-11-30/h1-7,12,18,27H,8-11,13H2"	C1CN(CCN1)C2=NC(=C(C(=N2)Cl)C(CC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Cl)Cl	XJNSDCGPKMHVLU-UHFFFAOYSA-N
DG57928	"N,N-Diethyldinaphtho[2,1-d:1,2-f][1,3,2]dioxaphosphepin-4-amine 4-sulfide"	393588	"NSC695659; N,N-diethyl-thioxo-[ ]amine; CHEMBL1987558; NSC-695659; NCI60_034234; N,N-Diethyl-N-(4-sulfidodinaphtho[2,1-d:1,2-f][1,3,2]dioxaphosphepin-4-yl)amine; N,N-Diethyldinaphtho[2,1-d:1,2-f][1,3,2]dioxaphosphepin-4-amine 4-sulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695659	.	.	.	.	419.5	C24H22NO2PS	53.8	582	8	29	0	4	3	"InChI=1S/C24H22NO2PS/c1-3-25(4-2)28(29)26-21-15-13-17-9-5-7-11-19(17)23(21)24-20-12-8-6-10-18(20)14-16-22(24)27-28/h5-16H,3-4H2,1-2H3"	CCN(CC)P1(=S)OC2=C(C3=CC=CC=C3C=C2)C4=C(O1)C=CC5=CC=CC=C54	GPFLMVFBKXXXDZ-UHFFFAOYSA-N
DG57929	"5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-N-methyl-2-oxolanecarboxamide"	393593	"5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-N-methyl-2-oxolanecarboxamide; NSC695672; Cl-IBMECA; CHEMBL111399; CHEBI:110191; BDBM198126; HMS3267K06; HMS3374G10; HMS3748C03; ZINC03995843; NSC-695672; SB16983; 5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide; NCI60_034239; L000191; BRD-A83387524-001-01-3; Q27189572"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695672	.	.	.	.	544.7	C18H18ClIN6O4	134	623	1.9	30	4	8	5	"InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)"	CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)Cl)NCC4=CC(=CC=C4)I)O)O	IPSYPUKKXMNCNQ-UHFFFAOYSA-N
DG57930	Furcelleran	393594	"MRS-1191; Furcelleran; 185222-90-6; MRS1191; MRS 1191; CHEMBL89852; 5-O-benzyl 3-O-ethyl 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate; O3-ethyl O5-(phenylmethyl) 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate; Furcelleran gum; Danish agar; Burtonitte 44; MRS 1191, solid; GTPL470; SCHEMBL3741774; CHEMBL1995014; AOB2110; DTXSID10327856; SYN5122; CHEBI:175753; NSC695673; AKOS037643454; NSC-695673; AS-16486; NCI60_034240; HY-124543; CS-0086877; FT-0699601; L000412; J-011875; Q27087758; 3-Benzyl 5-ethyl 6-methyl-2-phenyl-4-(phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate; 1,4-Dihydro-2-methyl-4-(phenylethynyl)-6-phenyl-3,5-pyridinedicarboxylic acid 3-ethyl 5-benzyl ester; 3-benzyl 5-ethyl 6-methyl-2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695673	.	.	.	.	477.5	C31H27NO4	64.599	915	6.1	36	1	5	9	"InChI=1S/C31H27NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18,26,32H,3,21H2,1-2H3"	CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)C	SNVFDPHQAOXWJZ-UHFFFAOYSA-N
DG57931	"N-(9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-phenylacetamide"	393595	"MRS 1220; 183721-15-5; MRS1220; MRS-1220; N-(9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-phenylacetamide; CHEMBL88147; 9-CHLORO-2-(2-FURANYL)-5-[(PHENYLACETY)AMINO][1,2,4]-TRIAZOLO[1,5-C] QUINAZOLINE; MRS1200;NSC695674; N-(9-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-phenylacetamide; N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylacetamide; MRS 1200; NSC 695674; Tocris-1217; MRS 1220, solid; 9-chloro-2-(2-furyl)-5-phenylacetylamino(1,2,4)triazolo(1,5-c)quinazoline; GTPL448; SCHEMBL927261; CHEBI:92667; HMS3267D09; HMS3412O15; HMS3676O15; ZINC602092; EX-A2774; BDBM50053929; NSC695674; AKOS024456471; NSC-695674; NCGC00025048-01; NCGC00025048-02; NCI60_034241; HY-103190; B6637; CS-0025281; L000413; SR-01000597372; J-011775; SR-01000597372-1; BRD-K37618799-001-01-4; Q27087759; Benzeneacetamide, N-(9-chloro-2-(2-furanyl)(1,2,4)triazolo(1,5-c)quinazolin-5-yl)-; N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-phenyl-acetamide; N-[9-Chloro-2-(2-furanyl)[1,2,4]-triazolo[1,5-c]quinazolin-5-yl]benzene acetamide; N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-N-methyl-2-phenyl-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695674	.	.	.	.	403.8	C21H14ClN5O2	85.3	589	3.9	29	1	5	4	"InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)"	C1=CC=C(C=C1)CC(=O)NC2=NC3=C(C=C(C=C3)Cl)C4=NC(=NN42)C5=CC=CO5	TWWFAXQOKNBUCR-UHFFFAOYSA-N
DG57932	NSC695787	393598	"[(4S,5S,10S,13S,14S,17S,19S,23R,30S,33S,36S)-13,30,33-triacetyloxy-19-methoxy-17,36-dimethyl-37-oxo-10-decacyclo[17.17.2.01,21.02,18.04,17.05,14.08,13.023,36.025,34.028,33]octatriaconta-7,27-dienyl] acetate; NSC695787; CHEMBL2005731; NSC-695787"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695787	.	.	.	.	815	C49H66O10	132	1930	6.4	59	0	10	9	"InChI=1S/C49H66O10/c1-26(50)56-35-12-16-47(58-28(3)52)32(21-35)10-11-37-38(47)14-15-44(5)39(37)22-40-43(44)46(55-7)23-34-19-33-18-30-8-9-31-20-36(57-27(2)51)13-17-48(31,59-29(4)53)41(30)24-45(33,6)49(34,40)42(54)25-46/h9-10,30,33-41,43H,8,11-25H2,1-7H3/t30 ,33-,34 ,35+,36+,37-,38+,39+,40 ,41 ,43 ,44+,45+,46+,47-,48-,49 /m1/s1"	CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC5C4[C@@]6(CC7C5(C(=O)C6)[C@]8(CC9C(CC=C1[C@@]9(CC[C@@H](C1)OC(=O)C)OC(=O)C)C[C@@H]8C7)C)OC)C)OC(=O)C	SKLNCHIFEOFKJB-JWVIGVNTSA-N
DG57933	NSC695788	393599	"2-[[[4-[[4-[[(5-Methyl-2,4-diaminopyrido[2,3-d]pyrimidine-6-yl)methyl]amino]benzoyl]amino]-4-carboxybutyl]amino]carbonyl]benzoic acid; CHEMBL150607; NSC695788; BDBM50068809; NSC-695788; NCI60_034248; 2-[[[4-[[4-[[(5-Methyl-2,4-diaminopyrido[2,3-d]pyrimidine-6-yl)methyl]amino]benzoyl]amino]-4-carboxybutyl]amino]carbonyl]benzoic acid; N(sup .alpha.)-[4-[(2,3-d] pyrimidin-6-yl)methyl]amino]benzoyl-n(sup .delta.)-hemiphthaloyl-L-ornithine; N-(4-Carboxy-4-{4-[(2,4-diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695788	.	.	.	.	586.6	C29H30N8O6	236	979	2.1	43	7	12	12	"InChI=1S/C29H30N8O6/c1-15-17(14-34-24-22(15)23(30)36-29(31)37-24)13-33-18-10-8-16(9-11-18)25(38)35-21(28(42)43)7-4-12-32-26(39)19-5-2-3-6-20(19)27(40)41/h2-3,5-6,8-11,14,21,33H,4,7,12-13H2,1H3,(H,32,39)(H,35,38)(H,40,41)(H,42,43)(H4,30,31,34,36,37)"	CC1=C2C(=NC(=NC2=NC=C1CNC3=CC=C(C=C3)C(=O)NC(CCCNC(=O)C4=CC=CC=C4C(=O)O)C(=O)O)N)N	IAVQJNSRTDVUJY-UHFFFAOYSA-N
DG57934	NSC695794	393600	"(3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 2-((6-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)hexyl)amino)ethyl ester; 185994-08-5; NSC695794; CHEMBL2003519; DTXSID30940026; NSC-695794; NCI60_034249; (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 2-((6-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)hexyl)amino)ethyl ester; 2-({6-[5-Hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl]hexyl}amino)ethyl hydrogen (3-{4-[bis(2-chloroethyl)amino]phenyl}propyl)carbonimidate; Carbamic acid, 2-[[6-[5-hydroxy-2-(4-hydroxyphenyl)- 3-methyl-1H-indol-1-yl]hexyl]amino]ethyl ester; N-[3-[4-[Bis(2-chloroethyl)amino]phenyl]propyl]carbamic acid 2-[[6-[2-(4-hydroxyphenyl)-3-methyl-5-hydroxy-1H-indol-1-yl]hexyl]amino]ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695794	.	.	.	.	683.7	C37H48Cl2N4O4	99	852	7.6	47	4	6	21	"InChI=1S/C37H48Cl2N4O4/c1-28-34-27-33(45)16-17-35(34)43(36(28)30-10-14-32(44)15-11-30)23-5-3-2-4-20-40-22-26-47-37(46)41-21-6-7-29-8-12-31(13-9-29)42(24-18-38)25-19-39/h8-17,27,40,44-45H,2-7,18-26H2,1H3,(H,41,46)"	CC1=C(N(C2=C1C=C(C=C2)O)CCCCCCNCCOC(=O)NCCCC3=CC=C(C=C3)N(CCCl)CCCl)C4=CC=C(C=C4)O	YVOFRAFRSOZULZ-UHFFFAOYSA-N
DG57935	"7H-Dibenzo[a, 5,6-dihydro-9,10,11-trimethoxy-3-(methylthio)-"	393604	"NSC695798; CHEMBL1983995; NSC-695798; NCI60_034251; 7H-Dibenzo[a, 5,6-dihydro- 9,10,11-trimethoxy-3-(methylthio)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695798	.	.	.	.	346.4	C19H22O4S	73.2	407	3.5	24	1	5	4	"InChI=1S/C19H22O4S/c1-21-16-9-11-5-8-15(20)14-10-12(24-4)6-7-13(14)17(11)19(23-3)18(16)22-2/h6-7,9-10,15,20H,5,8H2,1-4H3"	COC1=C(C(=C2C(=C1)CCC(C3=C2C=CC(=C3)SC)O)OC)OC	HIWNZGHQROQUOB-UHFFFAOYSA-N
DG57936	"7H-Dibenzo[a, 9,10,11-trimethoxy-3-(methylthio)-"	393605	"NSC695799; CHEMBL1171674; NSC-695799; NCI60_034252; 7H-Dibenzo[a, 9,10,11- trimethoxy-3-(methylthio)-; 3-(Methylthio)-6,7-dihydro-9,10,11-trimethoxy-5H-dibenzo[a,c]cycloheptene-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695799	.	.	.	.	344.4	C19H20O4S	70.1	443	3.7	24	0	5	4	"InChI=1S/C19H20O4S/c1-21-16-9-11-5-8-15(20)14-10-12(24-4)6-7-13(14)17(11)19(23-3)18(16)22-2/h6-7,9-10H,5,8H2,1-4H3"	COC1=C(C(=C2C(=C1)CCC(=O)C3=C2C=CC(=C3)SC)OC)OC	VWQSIMWTAVJGIO-UHFFFAOYSA-N
DG57937	N-[(6-methoxynaphthalen-2-yl)methyl]-2-[2-[2-[(6-methoxynaphthalen-2-yl)methylamino]ethoxy]ethoxy]ethanamine;hydrochloride	393608	"MLS002702431; NSC-695801; NSC695801; CHEMBL461193; CCG-36423; SMR001565993; 2,8-dioxadodecane, 1,12-bis(6-methoxy- 2-naphthalenyl)-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695801	.	.	.	.	525.1	C30H37ClN2O4	61	543	.	37	3	6	15	"InChI=1S/C30H36N2O4.ClH/c1-33-29-9-7-25-17-23(3-5-27(25)19-29)21-31-11-13-35-15-16-36-14-12-32-22-24-4-6-28-20-30(34-2)10-8-26(28)18-24;/h3-10,17-20,31-32H,11-16,21-22H2,1-2H3;1H"	COC1=CC2=C(C=C1)C=C(C=C2)CNCCOCCOCCNCC3=CC4=C(C=C3)C=C(C=C4)OC.Cl	GZCBAGOWAQOFFP-UHFFFAOYSA-N
DG57938	[1-[[(2-Amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-phenylbutyl)cyclobutyl]methanol	393613	NSC695804; CHEMBL1978003; NSC-695804; NCI60_034257	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695804	.	.	.	.	374.9	C20H27ClN4O	84.1	413	5.4	26	3	5	9	"InChI=1S/C20H27ClN4O/c21-17-10-18(25-19(22)24-17)23-13-20(14-26)11-16(12-20)9-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,10,16,26H,4-5,8-9,11-14H2,(H3,22,23,24,25)"	C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)CO)CCCCC3=CC=CC=C3	ZWBCGNQLJXYUEO-UHFFFAOYSA-N
DG57939	3-(bromomethyl)-7-(trifluoromethyl)-1H-quinoxalin-2-one	393632	"NSC695840; CHEMBL1980928; 3-(bromomethyl)-7-(trifluoromethyl)-1H-quinoxalin-2-one; NSC-695840; NCI60_034266; 3-(Bromomethyl)-7-(trifluoromethyl)-2-quinolinol; 3-(bromomethyl)-7-(trifluoromethyl)quinoxalin-2-ol; 1H-Quinoxalin-2-one, 3-(bromomethyl)-7-(trifluoromethyl)-; 3-(Bromomethyl)-7-(trifluoromethyl)quinoxaline-2(1H)-one; 2-Bromomethyl-6-trifluoromethyl-3,4-dihydroquinoxalin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695840	.	.	.	.	307.07	C10H6BrF3N2O	41.5	356	2.4	17	1	5	1	"InChI=1S/C10H6BrF3N2O/c11-4-8-9(17)16-7-3-5(10(12,13)14)1-2-6(7)15-8/h1-3H,4H2,(H,16,17)"	C1=CC2=C(C=C1C(F)(F)F)NC(=O)C(=N2)CBr	INEQYXAPHQOALZ-UHFFFAOYSA-N
DG57940	"7-(3,4,5-Trimethoxyphenyl)-6a,10,11,11a-tetrahydro-3H-benzo[de]pyrrolo[2,1-a]isoquinolin-9(7H)-one"	393636	"NSC695847; CHEMBL1976189; NSC-695847; 7-(3,4,5-Trimethoxyphenyl)-6a,10,11,11a-tetrahydro-3H-benzo[de]pyrrolo[2,1-a]isoquinolin-9(7H)-one; NCI60_034273"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695847	.	.	.	.	391.5	C24H25NO4	48	796	2.5	29	0	4	4	"InChI=1S/C24H25NO4/c1-27-19-12-15(13-20(28-2)24(19)29-3)23-17-9-5-7-14-6-4-8-16(22(14)17)18-10-11-21(26)25(18)23/h4-5,7-9,12-13,17-18,23H,6,10-11H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2C3C=CC=C4C3=C(C=CC4)C5N2C(=O)CC5	UZISGKOETGDJKE-UHFFFAOYSA-N
DG57941	"9-hydroxy-7,8-dimethoxy-5-(1-naphthyl)-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one"	393647	"NSC695858; CHEMBL1999857; NSC-695858; NCI60_034284; 9-hydroxy-7,8-dimethoxy-5-(1-naphthyl)-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one; Pyrrolo[1,2-b]isoquinolin-3(2H)-one, 1,5,10,10a-tetrahydro-9-hydroxy-7,8-dimethoxy-5-(1-naphthalenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695858	.	.	.	.	389.4	C24H23NO4	59	612	3.9	29	1	4	3	"InChI=1S/C24H23NO4/c1-28-20-13-18-19(23(27)24(20)29-2)12-15-10-11-21(26)25(15)22(18)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15,22,27H,10-12H2,1-2H3"	COC1=C(C(=C2CC3CCC(=O)N3C(C2=C1)C4=CC=CC5=CC=CC=C54)O)OC	VJAJEAOAEAKPMX-UHFFFAOYSA-N
DG57942	"3-(Hydroxymethyl)thieno[3,2-f][1]benzothiole-4,8-dione"	393648	NSC695913; CHEMBL1985359; NSC-695913; NCI60_034285	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695913	.	.	.	.	250.3	C11H6O3S2	111	344	2	16	1	5	1	"InChI=1S/C11H6O3S2/c12-3-5-4-16-11-7(5)8(13)6-1-2-15-10(6)9(11)14/h1-2,4,12H,3H2"	C1=CSC2=C1C(=O)C3=C(C2=O)SC=C3CO	FNFXJHXQHUZVLI-UHFFFAOYSA-N
DG57943	"Benzo[1,5-b']dithiophene-4,8-diol, diacetate"	393649	"NSC695914; Neuro_000478; CHEMBL1992463; NSC-695914; NCI60_034286; Benzo[1,5-b']dithiophene-4,8-diol, diacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695914	.	.	.	.	306.4	C14H10O4S2	109	376	3.5	20	0	6	4	"InChI=1S/C14H10O4S2/c1-7(15)17-11-9-3-5-20-14(9)12(18-8(2)16)10-4-6-19-13(10)11/h3-6H,1-2H3"	CC(=O)OC1=C2C=CSC2=C(C3=C1SC=C3)OC(=O)C	SCLGEDXTEAKPFK-UHFFFAOYSA-N
DG57944	"1-(4-Nitrophenyl)-3-(1,2,4-triazol-4-yl)urea"	393650	"MLS001224713; SMR000678328; 1-(4-nitrophenyl)-3-(1,2,4-triazol-4-yl)urea; NSC695915; cid_393650; CHEMBL1484761; BDBM55163; HMS2964D05; KUC105261N; ZINC4373564; STK494598; AKOS002375554; KSC-10-192; MCULE-5823259834; NSC-695915; NCI60_034287; AS-871/42611222; 1-(4-nitrophenyl)-3-(4H-1,2,4-triazol-4-yl)urea; N-{4-nitrophenyl}-N'-(4H-1,2,4-triazol-4-yl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695915	.	.	.	.	248.2	C9H8N6O3	118	306	0.3	18	2	5	2	"InChI=1S/C9H8N6O3/c16-9(13-14-5-10-11-6-14)12-7-1-3-8(4-2-7)15(17)18/h1-6H,(H2,12,13,16)"	C1=CC(=CC=C1NC(=O)NN2C=NN=C2)[N+](=O)[O-]	WXDUQXBMDFVQDS-UHFFFAOYSA-N
DG57945	Ethyl 2-amino-5-(4-amino-3-ethoxycarbonyl-phenyl)sulfanyl-benzoate	393662	"NSC695930; SCHEMBL1027580; CHEMBL1983905; NSC-695930; Diethyl 5,5'-thiobis(2-aminobenzoate); NCI60_034296; Benzoic acid, 3,3'-thiobis[6-amino-, diethyl ester; ethyl 2-amino-5-(4-amino-3-ethoxycarbonyl-phenyl)sulfanyl-benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695930	.	.	.	.	360.4	C18H20N2O4S	130	422	4.2	25	2	7	8	"InChI=1S/C18H20N2O4S/c1-3-23-17(21)13-9-11(5-7-15(13)19)25-12-6-8-16(20)14(10-12)18(22)24-4-2/h5-10H,3-4,19-20H2,1-2H3"	CCOC(=O)C1=C(C=CC(=C1)SC2=CC(=C(C=C2)N)C(=O)OCC)N	XFYKIVIHHBDZRA-UHFFFAOYSA-N
DG57946	"N'-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl]-N'-methyl-propane-1,3-diamine"	393666	"NSC695934; Neuro_000479; CHEMBL393643; NCI60_034299; N'-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl]-N'-methyl-propane-1,3-diamine; N(1)-(3-Aminopropyl)-N(3)-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)-N(1)-methyl-1,3-propanediamine monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695934	.	.	.	.	419.6	C25H33N5O	79.2	562	4.4	31	3	5	9	"InChI=1S/C25H33N5O/c1-16-19-9-12-28-25(27-11-6-14-30(3)13-5-10-26)23(19)17(2)22-20-15-18(31-4)7-8-21(20)29-24(16)22/h7-9,12,15,29H,5-6,10-11,13-14,26H2,1-4H3,(H,27,28)"	CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCN(C)CCCN	DJOIHEFMQSELQL-UHFFFAOYSA-N
DG57947	2-Amino-3-nitrobenzoic acid ethyl ester	393670	"61063-11-4; ethyl 2-amino-3-nitrobenzoate; 2-Amino-3-nitrobenzoic acid ethyl ester; ethyl 2-amino-3-nitro-benzoate; Ethyl 2-amino-3-(hydroxy(oxido)amino)benzoate; NSC696044; 2-Amino-3-nitrobenzoic acid,ethyl ester; benzoic acid, 2-amino-3-nitro-, ethyl ester; Ethyl 3-nitroanthranilate; NSC 696044; ethyl 3-nitro-2-aminobenzoate; SCHEMBL4728649; CHEMBL1991708; DTXSID90209944; ZINC5582315; AKOS007930046; NSC-696044; 2-Amino-3-nitro benzoic acid ethyl ester; DA-04441; NCI60_034317; FT-0727612; X5328"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696044	.	.	.	.	210.19	C9H10N2O4	98.1	251	2.4	15	1	5	3	"InChI=1S/C9H10N2O4/c1-2-15-9(12)6-4-3-5-7(8(6)10)11(13)14/h3-5H,2,10H2,1H3"	CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])N	MIVXXTKDCKQHCD-UHFFFAOYSA-N
DG57948	N-[3-(benzenesulfonyl)-2-thienyl]pyridine-3-carboxamide	393673	"NSC696049; CHEMBL1968338; NSC-696049; NCI60_034320; N-[3-(benzenesulfonyl)-2-thienyl]pyridine-3-carboxamide; 3-Pyridinecarboxamide, N-[3-(phenylsulfonyl)-2-thienyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696049	.	.	.	.	344.4	C16H12N2O3S2	113	512	3	23	1	5	4	"InChI=1S/C16H12N2O3S2/c19-15(12-5-4-9-17-11-12)18-16-14(8-10-22-16)23(20,21)13-6-2-1-3-7-13/h1-11H,(H,18,19)"	C1=CC=C(C=C1)S(=O)(=O)C2=C(SC=C2)NC(=O)C3=CN=CC=C3	DDRYQSIZMLQTKY-UHFFFAOYSA-N
DG57949	N-[5-bromo-3-(4-chlorophenyl)sulfonyl-2-thienyl]acetamide	393675	"NSC696051; CHEMBL1995622; NSC-696051; NCI60_034322; N-[5-bromo-3-(4-chlorophenyl)sulfonyl-2-thienyl]acetamide; Acetamide, N-[5-bromo-3-[(4-chlorophenyl)sulfonyl]-2-thienyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696051	.	.	.	.	394.7	C12H9BrClNO3S2	99.9	460	4.1	20	1	4	3	"InChI=1S/C12H9BrClNO3S2/c1-7(16)15-12-10(6-11(13)19-12)20(17,18)9-4-2-8(14)3-5-9/h2-6H,1H3,(H,15,16)"	CC(=O)NC1=C(C=C(S1)Br)S(=O)(=O)C2=CC=C(C=C2)Cl	ZMIXRLWPIXXUAN-UHFFFAOYSA-N
DG57950	N-[3-(4-chlorophenyl)sulfonyl-5-nitro-2-thienyl]acetamide	393676	"NSC696052; N-[3-(4-chlorophenyl)sulfonyl-5-nitro-2-thienyl]acetamide; CHEMBL1977593; NSC-696052; NCI60_034323; Acetamide, N-[3-[(4-chlorophenyl)sulfonyl]-5-nitro-2-thienyl]-; N-(3-((4-Chlorophenyl)sulfonyl)-5-(hydroxy(oxido)amino)-2-thienyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696052	.	.	.	.	360.8	C12H9ClN2O5S2	146	537	3.2	22	1	6	3	"InChI=1S/C12H9ClN2O5S2/c1-7(16)14-12-10(6-11(21-12)15(17)18)22(19,20)9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,16)"	CC(=O)NC1=C(C=C(S1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Cl	MXDQHZXKGXZCMO-UHFFFAOYSA-N
DG57951	"4,5-Dimethyl-3-(phenylsulfonyl)-2-thienylamine"	393681	"NSC696057; CHEMBL2001221; NSC-696057; NCI60_034328; 4,5-Dimethyl-3-(phenylsulfonyl)-2-thienylamine; 4,5-Dimethyl-3-(phenylsulfonyl)-2-thiophenamine; 3-(benzenesulfonyl)-4,5-dimethyl-thiophen-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696057	.	.	.	.	267.4	C12H13NO2S2	96.8	357	3.4	17	1	4	2	"InChI=1S/C12H13NO2S2/c1-8-9(2)16-12(13)11(8)17(14,15)10-6-4-3-5-7-10/h3-7H,13H2,1-2H3"	CC1=C(SC(=C1S(=O)(=O)C2=CC=CC=C2)N)C	IRLRZVMPGRKKAY-UHFFFAOYSA-N
DG57952	NSC696073	393684	(2R)-2-[[(2S)-2-[[2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[4-[(1-nitroacridin-9-yl)amino]butyl]pentanediamide; NSC696073; CHEMBL1989851; NSC-696073; NCI60_034331	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696073	.	.	.	.	860.9	C42H52N8O12	298	1500	1.5	62	8	14	21	"InChI=1S/C42H52N8O12/c1-24(46-34(54)23-60-39-37(47-25(2)52)42(62-32(21-51)38(39)55)61-22-26-11-4-3-5-12-26)41(57)49-30(40(43)56)17-18-33(53)44-19-8-9-20-45-36-27-13-6-7-14-28(27)48-29-15-10-16-31(35(29)36)50(58)59/h3-7,10-16,24,30,32,37-39,42,51,55H,8-9,17-23H2,1-2H3,(H2,43,56)(H,44,53)(H,45,48)(H,46,54)(H,47,52)(H,49,57)/t24-,30+,32 ,37 ,38 ,39 ,42 /m0/s1"	C[C@@H](C(=O)N[C@H](CCC(=O)NCCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C	JAEXQNXRILZTOQ-QOLHAAGSSA-N
DG57953	NSC696074	393685	(2R)-2-[[(2S)-2-[[2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[2-[2-[(1-nitroacridin-9-yl)amino]ethylamino]ethyl]pentanediamide; NSC696074; CHEMBL1999239; NSC-696074; NCI60_034332	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696074	.	.	.	.	875.9	C42H53N9O12	310	1520	0.3	63	9	15	22	"InChI=1S/C42H53N9O12/c1-24(47-34(55)23-61-39-37(48-25(2)53)42(63-32(21-52)38(39)56)62-22-26-9-4-3-5-10-26)41(58)50-30(40(43)57)15-16-33(54)45-19-17-44-18-20-46-36-27-11-6-7-12-28(27)49-29-13-8-14-31(35(29)36)51(59)60/h3-14,24,30,32,37-39,42,44,52,56H,15-23H2,1-2H3,(H2,43,57)(H,45,54)(H,46,49)(H,47,55)(H,48,53)(H,50,58)/t24-,30+,32 ,37 ,38 ,39 ,42 /m0/s1"	C[C@@H](C(=O)N[C@H](CCC(=O)NCCNCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C	FJDILJGTDXMCMW-QOLHAAGSSA-N
DG57954	NSC696075	393686	(2R)-2-[[(2S)-2-[2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]propanoyl]amino]-N'-[2-[2-[(1-nitroacridin-9-yl)amino]ethylamino]ethyl]pentanediamide; NSC696075; CHEMBL1973361; NSC-696075; NCI60_034333	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696075	.	.	.	.	889.9	C43H55N9O12	310	1550	0.7	64	9	15	22	"InChI=1S/C43H55N9O12/c1-24(48-42(59)25(2)63-39-37(49-26(3)54)43(64-33(22-53)38(39)56)62-23-27-10-5-4-6-11-27)41(58)51-31(40(44)57)16-17-34(55)46-20-18-45-19-21-47-36-28-12-7-8-13-29(28)50-30-14-9-15-32(35(30)36)52(60)61/h4-15,24-25,31,33,37-39,43,45,53,56H,16-23H2,1-3H3,(H2,44,57)(H,46,55)(H,47,50)(H,48,59)(H,49,54)(H,51,58)/t24-,25 ,31+,33 ,37 ,38 ,39 ,43 /m0/s1"	C[C@@H](C(=O)N[C@H](CCC(=O)NCCNCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C	LTFUPIPJLCYCNQ-GYNBGYAISA-N
DG57955	NSC696078	393689	(2R)-2-[[(2S)-2-[[2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[3-[(1-nitroacridin-9-yl)amino]propyl]pentanediamide; NSC696078; CHEMBL1977492; NSC-696078; NCI60_034336	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696078	.	.	.	.	846.9	C41H50N8O12	298	1480	1.7	61	8	14	20	"InChI=1S/C41H50N8O12/c1-23(45-33(53)22-59-38-36(46-24(2)51)41(61-31(20-50)37(38)54)60-21-25-10-4-3-5-11-25)40(56)48-29(39(42)55)16-17-32(52)43-18-9-19-44-35-26-12-6-7-13-27(26)47-28-14-8-15-30(34(28)35)49(57)58/h3-8,10-15,23,29,31,36-38,41,50,54H,9,16-22H2,1-2H3,(H2,42,55)(H,43,52)(H,44,47)(H,45,53)(H,46,51)(H,48,56)/t23-,29+,31 ,36 ,37 ,38 ,41 /m0/s1"	C[C@@H](C(=O)N[C@H](CCC(=O)NCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C	WYKIPYLBZCTBLY-UFRUCMRISA-N
DG57956	"1H-Indol-6-amine,3-dihydro-1-[(5-methoxy-2-benzofuranyl)sulfonyl]-"	393691	"NSC696124; Neuro_000484; CHEMBL350679; ZINC01654698; NSC-696124; NCI60_034343; 1H-Indol-6-amine,3-dihydro- 1-[(5-methoxy-2-benzofuranyl)sulfonyl]-; [[3-(Chloromethyl)-6-amino-2,3-dihydro-1H-indole]-1-yl][5-methoxybenzofuran-2-yl] sulfone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696124	.	.	.	.	392.9	C18H17ClN2O4S	94.2	613	3.1	26	1	6	4	"InChI=1S/C18H17ClN2O4S/c1-24-14-3-5-17-11(6-14)7-18(25-17)26(22,23)21-10-12(9-19)15-4-2-13(20)8-16(15)21/h2-8,12H,9-10,20H2,1H3"	COC1=CC2=C(C=C1)OC(=C2)S(=O)(=O)N3CC(C4=C3C=C(C=C4)N)CCl	MZVMCVHDIYTKHQ-UHFFFAOYSA-N
DG57957	"1-[(methanesulfonyloxy)methyl]-5-nitro-3-[(5,6,7-trimethoxyindol-2-yl)carbonyl]-1,2-dihydro-3H-benz[e]indole"	393692	"NSC696125; SCHEMBL6205688; CHEMBL1813141; NSC-696125; NCI60_034344; 1-[(methanesulfonyloxy)methyl]-5-nitro-3-[(5,6,7-trimethoxyindol-2-yl)carbonyl]-1,2-dihydro-3H-benz[e]indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696125	.	.	.	.	555.6	C26H25N3O9S	161	1020	3.6	39	1	9	7	"InChI=1S/C26H25N3O9S/c1-35-21-10-14-9-18(27-23(14)25(37-3)24(21)36-2)26(30)28-12-15(13-38-39(4,33)34)22-17-8-6-5-7-16(17)19(29(31)32)11-20(22)28/h5-11,15,27H,12-13H2,1-4H3"	COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)[N+](=O)[O-])COS(=O)(=O)C)OC)OC	OFYWATWIUCJIGO-UHFFFAOYSA-N
DG57958	"3-[(5,6,7-Trimethoxy-1H-indole-2-yl)carbonyl]-5-amino-2,3-dihydro-1H-benzo[e]indole-1-methanol methanesulfonate"	393693	"NSC696126; CHEMBL325178; SCHEMBL6206606; NSC-696126; NCI60_034345; 3-[(5,6,7-Trimethoxy-1H-indole-2-yl)carbonyl]-5-amino-2,3-dihydro-1H-benzo[e]indole-1-methanol methanesulfonate; 5-amino-1-[(methanesulfonyloxy)methyl]-3-[(5,6,7-trimethoxyindol-2-yl)carbonyl]-1,2-dihydro-3H-benz[e]indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696126	.	.	.	.	525.6	C26H27N3O7S	142	930	3.1	37	2	8	7	"InChI=1S/C26H27N3O7S/c1-33-21-10-14-9-19(28-23(14)25(35-3)24(21)34-2)26(30)29-12-15(13-36-37(4,31)32)22-17-8-6-5-7-16(17)18(27)11-20(22)29/h5-11,15,28H,12-13,27H2,1-4H3"	COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)COS(=O)(=O)C)OC)OC	MVIAFWFYXRNKDS-UHFFFAOYSA-N
DG57959	NSC696134	393700	"[4,11-Diethyl-5-hydroxy-4,5-dimethyl-8-(3-methylbut-2-enyl)-14-oxo-6,10,15-trioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,12-trien-3-yl] benzoate; NSC696134; CHEMBL2001651; NSC-696134; NCI60_034353; [diethyl-hydroxy-dimethyl-(3-methylbut-2-enyl)-oxo-[ ]yl] benzoate; 4,9-Diethyl-8-hydroxy-8,9-dimethyl-6-(3-methyl-2-butenyl)-2-oxo-2,4,8,9,10,10c-hexahydro-5aH-furo[4,3,2-de]pyrano[2,3-h]chromen-10-yl benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696134	.	.	.	.	520.6	C31H36O7	91.3	1130	4.3	38	1	7	7	"InChI=1S/C31H36O7/c1-7-21-20-16-22(32)36-27-23(20)25(35-21)19(15-14-17(3)4)26-24(27)28(30(5,8-2)31(6,34)38-26)37-29(33)18-12-10-9-11-13-18/h9-14,16,21,23,25,28,34H,7-8,15H2,1-6H3"	CCC1C2=CC(=O)OC3=C4C(C(C(OC4=C(C(C23)O1)CC=C(C)C)(C)O)(C)CC)OC(=O)C5=CC=CC=C5	MIVHWPHZKXHITD-UHFFFAOYSA-N
DG57960	"3-(3,5-Dimethoxyphenoxy)quinoxaline-2-carboxylic acid"	393702	"NSC696136; 3-(3,5-dimethoxyphenoxy)quinoxaline-2-carboxylic acid; CHEMBL1992045; NSC-696136; NCI60_034355; 3-(3,5-Dimethoxyphenoxy)-2-quinoxalinecarboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696136	.	.	.	.	326.3	C17H14N2O5	90.8	423	2.9	24	1	7	5	"InChI=1S/C17H14N2O5/c1-22-10-7-11(23-2)9-12(8-10)24-16-15(17(20)21)18-13-5-3-4-6-14(13)19-16/h3-9H,1-2H3,(H,20,21)"	COC1=CC(=CC(=C1)OC2=NC3=CC=CC=C3N=C2C(=O)O)OC	RPHWRRHVBIIXMS-UHFFFAOYSA-N
DG57961	"6-(4-Morpholinyl)-3,4-dihydro-2(1H)-quinoxalinone"	393714	"NSC696227; 6-(4-Morpholinyl)-3,4-dihydro-2(1H)-quinoxalinone; 907965-73-5; CHEMBL1970823; ZINC1654712; NSC-696227; NCI60_034365; 6-morpholino-3,4-dihydro-1H-quinoxalin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696227	.	.	.	.	233.27	C12H15N3O2	53.6	292	0.6	17	2	4	1	"InChI=1S/C12H15N3O2/c16-12-8-13-11-7-9(1-2-10(11)14-12)15-3-5-17-6-4-15/h1-2,7,13H,3-6,8H2,(H,14,16)"	C1COCCN1C2=CC3=C(C=C2)NC(=O)CN3	FKRRSRIVFUELDS-UHFFFAOYSA-N
DG57962	NSC696236	393718	"[5-(6-Aminopurin-9-yl)-4-benzoyloxy-2-[[2-cyanoethoxy-[3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxypropoxy]phosphoryl]oxymethyl]tetrahydrofuran-3-yl] benzoate; NSC696236; CHEMBL1966269; NSC-696236; [5-(6-aminopurin-9-yl)-4-benzoyloxy-2-[[2-cyanoethoxy-[3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxypropoxy]phosphoryl]oxymethyl]tetrahydrofuran-3-yl] benzoate; NCI60_034369"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696236	.	.	.	.	996.9	C44H49N6O19P	324	1900	1.5	70	1	24	28	"InChI=1S/C44H49N6O19P/c1-25(51)59-21-31-34(63-26(2)52)36(64-27(3)53)38(65-28(4)54)44(67-31)58-18-12-20-61-70(57,60-19-11-17-45)62-22-32-35(68-42(55)29-13-7-5-8-14-29)37(69-43(56)30-15-9-6-10-16-30)41(66-32)50-24-49-33-39(46)47-23-48-40(33)50/h5-10,13-16,23-24,31-32,34-38,41,44H,11-12,18-22H2,1-4H3,(H2,46,47,48)"	CC(=O)OCC1C(C(C(C(O1)OCCCOP(=O)(OCCC#N)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C)OC(=O)C)OC(=O)C	UIADPMHNUQDCHC-UHFFFAOYSA-N
DG57963	"1-[3-(6-Aminopurin-9-yl)-2,3-dihydrofuran-2-yl]-2,2-dimethoxy-ethanol"	393724	"NSC696242; CHEMBL1967291; ZINC01654719; NSC-696242; NCI60_034375; 1-[3-(6-Amino-purin-9-yl)-2,3-dihydro-furan-2-yl]-2,2-dimethoxy-ethanol; 1-[3-(6-aminopurin-9-yl)-2,3-dihydrofuran-2-yl]-2,2-dimethoxy-ethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696242	.	.	.	.	307.31	C13H17N5O4	118	408	-0.7	22	2	8	5	"InChI=1S/C13H17N5O4/c1-20-13(21-2)9(19)10-7(3-4-22-10)18-6-17-8-11(14)15-5-16-12(8)18/h3-7,9-10,13,19H,1-2H3,(H2,14,15,16)"	COC(C(C1C(C=CO1)N2C=NC3=C(N=CN=C32)N)O)OC	ZCFFUWUNYKSYAL-UHFFFAOYSA-N
DG57964	"1-(5-Dimethoxymethyl-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione"	393726	"NSC696244; CHEMBL1978898; NSC-696244; NCI60_034377; 1-(5-Dimethoxymethyl-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione; 1-[5-(dimethoxymethyl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-5-fluoro-pyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696244	.	.	.	.	320.27	C12H17FN2O7	118	482	-2.1	22	3	8	5	"InChI=1S/C12H17FN2O7/c1-20-11(21-2)9-8(17)7(6(4-16)22-9)15-3-5(13)10(18)14-12(15)19/h3,6-9,11,16-17H,4H2,1-2H3,(H,14,18,19)"	COC(C1C(C(C(O1)CO)N2C=C(C(=O)NC2=O)F)O)OC	PVANNJOKKPSCMK-UHFFFAOYSA-N
DG57965	"5-Fluoro-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]pyrimidine-2,4-dione"	393730	"NSC696248; CHEMBL1998220; NSC-696248; NCI60_034381; 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]pyrimidine-2,4-dione; Pentitol, 1,4-anhydro-2-deoxy-2-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696248	.	.	.	.	246.19	C9H11FN2O5	99.1	386	-1.5	17	3	6	2	"InChI=1S/C9H11FN2O5/c10-4-1-12(9(16)11-8(4)15)5-3-17-6(2-13)7(5)14/h1,5-7,13-14H,2-3H2,(H,11,15,16)"	C1C(C(C(O1)CO)O)N2C=C(C(=O)NC2=O)F	MXURFEAREZZFIY-UHFFFAOYSA-N
DG57966	"2,4-Dimethoxy-5-[3-oxo-3-phenyl-1-propynyl]pyrimidine"	393732	"NSC696251; CHEMBL1999324; NSC-696251; NCI60_034384; 2-Propyn-1-one,4-dimethoxy-5-pyrimidinyl)-1-phenyl-; 2,4-Dimethoxy-5-[3-oxo-3-phenyl-1-propynyl]pyrimidine; 3-(2,4-Dimethoxy-5-pyrimidinyl)-1-phenyl-2-propyn-1-one; 3-(2,4-dimethoxypyrimidin-5-yl)-1-phenyl-prop-2-yn-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696251	.	.	.	.	268.27	C15H12N2O3	61.3	392	2.7	20	0	5	4	"InChI=1S/C15H12N2O3/c1-19-14-12(10-16-15(17-14)20-2)8-9-13(18)11-6-4-3-5-7-11/h3-7,10H,1-2H3"	COC1=NC(=NC=C1C#CC(=O)C2=CC=CC=C2)OC	BCMQVURTUKNVHU-UHFFFAOYSA-N
DG57967	"3-(2,4-Dimethoxypyrimidin-5-yl)-1-(4-methoxyphenyl)prop-2-yn-1-one"	393733	"NSC696252; 3-(2,4-dimethoxypyrimidin-5-yl)-1-(4-methoxyphenyl)prop-2-yn-1-one; CHEMBL1968537; NSC-696252; NCI60_034385; 2,4-Dimethoxy-5-[3-oxo-3-(4-methoxyphenyl)-1-propynyl]pyrimidine; 3-(2,4-Dimethoxy-5-pyrimidinyl)-1-(4-methoxyphenyl)-2-propyn-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696252	.	.	.	.	298.29	C16H14N2O4	70.5	434	2.7	22	0	6	5	"InChI=1S/C16H14N2O4/c1-20-13-7-4-11(5-8-13)14(19)9-6-12-10-17-16(22-3)18-15(12)21-2/h4-5,7-8,10H,1-3H3"	COC1=CC=C(C=C1)C(=O)C#CC2=CN=C(N=C2OC)OC	RQXYHLSYVWOTKE-UHFFFAOYSA-N
DG57968	"3-(2,4-Dimethoxypyrimidin-5-yl)-1-(3-methoxyphenyl)prop-2-yn-1-one"	393734	"NSC696253; 3-(2,4-dimethoxypyrimidin-5-yl)-1-(3-methoxyphenyl)prop-2-yn-1-one; CHEMBL1996898; NSC-696253; NCI60_034386; 2-Propyn-1-one,4-dimethoxy-5-pyrimidinyl)-1-(3-methoxyphenyl)-; 3-(2,4-Dimethoxy-5-pyrimidinyl)-1-(3-methoxyphenyl)-2-propyn-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696253	.	.	.	.	298.29	C16H14N2O4	70.5	442	2.7	22	0	6	5	"InChI=1S/C16H14N2O4/c1-20-13-6-4-5-11(9-13)14(19)8-7-12-10-17-16(22-3)18-15(12)21-2/h4-6,9-10H,1-3H3"	COC1=CC=CC(=C1)C(=O)C#CC2=CN=C(N=C2OC)OC	CSSXOKRLYMCTNN-UHFFFAOYSA-N
DG57969	"3-(2,4-Dimethoxypyrimidin-5-yl)-1-(2-methoxyphenyl)prop-2-yn-1-one"	393735	"NSC696254; 3-(2,4-dimethoxypyrimidin-5-yl)-1-(2-methoxyphenyl)prop-2-yn-1-one; CHEMBL2006138; NSC-696254; NCI60_034387; 3-(2,4-Dimethoxy-5-pyrimidinyl)-1-(2-methoxyphenyl)-2-propyn-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696254	.	.	.	.	298.29	C16H14N2O4	70.5	442	2.7	22	0	6	5	"InChI=1S/C16H14N2O4/c1-20-14-7-5-4-6-12(14)13(19)9-8-11-10-17-16(22-3)18-15(11)21-2/h4-7,10H,1-3H3"	COC1=CC=CC=C1C(=O)C#CC2=CN=C(N=C2OC)OC	MDPIZXUYNPAJKS-UHFFFAOYSA-N
DG57970	N-carbamoyl-1-(4-methoxyphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide	393741	NSC696266; CHEMBL2001092; NSC-696266; NCI60_034393	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696266	.	.	.	.	341.34	C13H15N3O6S	144	591	0	23	2	6	4	"InChI=1S/C13H15N3O6S/c1-22-8-2-4-9(5-3-8)23(20,21)16-10(6-7-11(16)17)12(18)15-13(14)19/h2-5,10H,6-7H2,1H3,(H3,14,15,18,19)"	COC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC(=O)N	CEDWRRNGZKOUTM-UHFFFAOYSA-N
DG57971	"Methyl 2-(1,1,3,3,7,7,9,9-octamethyl-2,8-dioxo-5,10-dithia-11-azadispiro[3.1.3^{6}.2^{4}]undecan-11-yl)acetate"	393782	"NSC696469; CHEMBL1979995; NSC-696469; methyl 2-(1,1,3,3,7,7,9,9-octamethyl-2,8-dioxo-5,10-dithia-11-azadispiro[3.1.3^{6}.2^{4}]undecan-11-yl)acetate; NCI60_034420; Methyl (1,1,3,3,7,7,9,9-octamethyl-2,8-dioxo-5,10-dithia-11-azadispiro[3.1.3.2]undec-11-yl)acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696469	.	.	.	.	399.6	C19H29NO4S2	114	687	3.6	26	0	7	3	"InChI=1S/C19H29NO4S2/c1-14(2)12(22)15(3,4)18(14)20(10-11(21)24-9)26-19(25-18)16(5,6)13(23)17(19,7)8/h10H2,1-9H3"	CC1(C(=O)C(C12N(SC3(S2)C(C(=O)C3(C)C)(C)C)CC(=O)OC)(C)C)C	DRERXGGTVRBVQG-UHFFFAOYSA-N
DG57972	"1,1,3,3,7,7,9,9-Octamethyl-5,10,11-trithiadispiro[3.1.3^{6}.2^{4}]undecane-2,8-dione"	393783	"NSC696470; CHEMBL1993523; ZINC1654763; NSC-696470; 1,1,3,3,7,7,9,9-Octamethyl-5,10,11-trithiadispiro[3.1.3.2]undecane-2,8-dione; 1,1,3,3,7,7,9,9-octamethyl-5,10,11-trithiadispiro[3.1.3^{6}.2^{4}]undecane-2,8-dione; NCI60_034421; 3,3'-Dithio-3,3'-thiobis(2,2,4,4-tetramethylcyclobutanone)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696470	.	.	.	.	344.6	C16H24O2S3	110	486	3.9	21	0	5	0	"InChI=1S/C16H24O2S3/c1-11(2)9(17)12(3,4)15(11)19-16(21-20-15)13(5,6)10(18)14(16,7)8/h1-8H3"	CC1(C(=O)C(C12SC3(C(C(=O)C3(C)C)(C)C)SS2)(C)C)C	WJYASVVSSKVWSY-UHFFFAOYSA-N
DG57973	"2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-sulfobutanoic acid"	393791	"CHEMBL27894; 90081-15-5; NSC696558; DTXSID401009144; BDBM50023711; NSC-696558; 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-sulfobutanoic acid; NCI60_034431; N-(4-Amino-4-deoxy-N10-methypteroyl)-D,L-homocysteic acid; 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-4-sulfo-butyric acid; 2-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}benzamido)-4-sulfobutanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696558	.	.	.	.	490.5	C19H22N8O6S	236	818	-2.5	34	5	13	9	"InChI=1S/C19H22N8O6S/c1-27(9-11-8-22-16-14(23-11)15(20)25-19(21)26-16)12-4-2-10(3-5-12)17(28)24-13(18(29)30)6-7-34(31,32)33/h2-5,8,13H,6-7,9H2,1H3,(H,24,28)(H,29,30)(H,31,32,33)(H4,20,21,22,25,26)"	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCS(=O)(=O)O)C(=O)O	AZBMALLCUFVCHQ-UHFFFAOYSA-N
DG57974	N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid	393794	113811-47-5; N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid; NSC696562; CHEMBL27814; DTXSID00150559; NSC-696562; NCI60_034435; 3-[N-(4-Amino-4-deoxy-N10-methylpteroyl)amino]propane-sulfonic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696562	.	.	.	.	446.5	C18H22N8O4S	199	697	-2.1	31	4	11	8	"InChI=1S/C18H22N8O4S/c1-26(10-12-9-22-16-14(23-12)15(19)24-18(20)25-16)13-5-3-11(4-6-13)17(27)21-7-2-8-31(28,29)30/h3-6,9H,2,7-8,10H2,1H3,(H,21,27)(H,28,29,30)(H4,19,20,22,24,25)"	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NCCCS(=O)(=O)O	ZWNOUWBCPHEYMA-UHFFFAOYSA-N
DG57975	N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminomethanesulfonic acid	393795	113811-45-3; N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminomethanesulfonic acid; NSC696563; CHEMBL281494; DTXSID80150557; NSC-696563; NCI60_034436; N-(4-Amino-4-deoxy-N10-methylpteroyl)aminomethanesulfonic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696563	.	.	.	.	418.4	C16H18N8O4S	199	666	-2.4	29	4	11	6	"InChI=1S/C16H18N8O4S/c1-24(7-10-6-19-14-12(21-10)13(17)22-16(18)23-14)11-4-2-9(3-5-11)15(25)20-8-29(26,27)28/h2-6H,7-8H2,1H3,(H,20,25)(H,26,27,28)(H4,17,18,19,22,23)"	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NCS(=O)(=O)O	HCZDNAFRBKRHGB-UHFFFAOYSA-N
DG57976	5-(Diaminomethylideneamino)-2-[(10-methyl-9-oxoacridine-4-carbonyl)amino]pentanoic acid	393797	NSC696565; CHEMBL2003784; NSC-696565; NCI60_034438	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696565	.	.	.	.	409.4	C21H23N5O4	151	693	1.2	30	4	6	7	"InChI=1S/C21H23N5O4/c1-26-16-10-3-2-6-12(16)18(27)13-7-4-8-14(17(13)26)19(28)25-15(20(29)30)9-5-11-24-21(22)23/h2-4,6-8,10,15H,5,9,11H2,1H3,(H,25,28)(H,29,30)(H4,22,23,24)"	CN1C2=CC=CC=C2C(=O)C3=C1C(=CC=C3)C(=O)NC(CCCN=C(N)N)C(=O)O	BJODGLCFZGOYQP-UHFFFAOYSA-N
DG57977	5-Amino-2-[(10-methyl-9-oxoacridine-4-carbonyl)amino]-5-oxopentanoic acid	393798	NSC696566; CHEMBL1979760; NSC-696566; NCI60_034439	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696566	.	.	.	.	381.4	C20H19N3O5	130	652	1.2	28	3	6	6	"InChI=1S/C20H19N3O5/c1-23-15-8-3-2-5-11(15)18(25)12-6-4-7-13(17(12)23)19(26)22-14(20(27)28)9-10-16(21)24/h2-8,14H,9-10H2,1H3,(H2,21,24)(H,22,26)(H,27,28)"	CN1C2=CC=CC=C2C(=O)C3=C1C(=CC=C3)C(=O)NC(CCC(=O)N)C(=O)O	GUTPPHJZEXNFQM-UHFFFAOYSA-N
DG57978	2-[(10-Methyl-9-oxoacridine-4-carbonyl)amino]-3-sulfanylpropanoic acid	393799	NSC696567; CHEMBL2003458; NSC-696567; NCI60_034440	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696567	.	.	.	.	356.4	C18H16N2O4S	87.7	555	2.3	25	3	6	4	"InChI=1S/C18H16N2O4S/c1-20-14-8-3-2-5-10(14)16(21)11-6-4-7-12(15(11)20)17(22)19-13(9-25)18(23)24/h2-8,13,25H,9H2,1H3,(H,19,22)(H,23,24)"	CN1C2=CC=CC=C2C(=O)C3=C1C(=CC=C3)C(=O)NC(CS)C(=O)O	BMGVIQXHUBQNBD-UHFFFAOYSA-N
DG57979	5-(Diaminomethylideneamino)-2-[(10-methylacridin-10-ium-9-carbonyl)amino]pentanoic acid;methyl sulfate	393804	NSC696570; CHEMBL1982590; NSC-696570	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696570	.	.	.	.	505.5	C22H27N5O7S	210	688	.	35	4	8	7	"InChI=1S/C21H23N5O3.CH4O4S/c1-26-16-10-4-2-7-13(16)18(14-8-3-5-11-17(14)26)19(27)25-15(20(28)29)9-6-12-24-21(22)23;1-5-6(2,3)4/h2-5,7-8,10-11,15H,6,9,12H2,1H3,(H5-,22,23,24,25,27,28,29);1H3,(H,2,3,4)"	C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)NC(CCCN=C(N)N)C(=O)O.COS(=O)(=O)[O-]	MIVGLQUBVZOJLH-UHFFFAOYSA-N
DG57980	"2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-(4-phenylphenyl)ethanol"	393813	"NSC696592; CHEMBL2005360; 2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-(4-phenylphenyl)ethanol; NSC-696592; NCI60_034448; 2-Benzoxazoleethanol, a-[1,1'-biphenyl]-4-yl-b,b-difluoro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696592	.	.	.	.	351.3	C21H15F2NO2	46.3	461	4.7	26	1	5	4	"InChI=1S/C21H15F2NO2/c22-21(23,20-24-17-8-4-5-9-18(17)26-20)19(25)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,19,25H"	C1=CC=C(C=C1)C2=CC=C(C=C2)C(C(C3=NC4=CC=CC=C4O3)(F)F)O	LGWTVZUAPGUCEF-UHFFFAOYSA-N
DG57981	"4',5'-dimethylspiro[1,6,7,8-tetrahydro-as-indacene-2,2'-3H-indene]-1',3-dione"	393819	"NSC696640; CHEMBL2003318; NSC-696640; NCI60_034454; 4',5'-dimethylspiro[1,6,7,8-tetrahydro-as-indacene-2,2'-indane]-1',3-dione; Spiro[as-indacene-2(3H),2'-[2H]indene]-1',3(3'H)-dione, 1,6,7,8-tetrahydro-4',5'-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696640	.	.	.	.	316.4	C22H20O2	34.1	581	4.8	24	0	2	0	"InChI=1S/C22H20O2/c1-12-6-8-16-18(13(12)2)10-22(20(16)23)11-19-15-5-3-4-14(15)7-9-17(19)21(22)24/h6-9H,3-5,10-11H2,1-2H3"	CC1=C(C2=C(C=C1)C(=O)C3(C2)CC4=C(C3=O)C=CC5=C4CCC5)C	OQOOSBMHZFYQTI-UHFFFAOYSA-N
DG57982	"5',6'-dimethylspiro[3,5,6,7-tetrahydro-s-indacene-2,2'-3H-indene]-1,1'-dione"	393820	"NSC696641; CHEMBL1990478; NSC-696641; NCI60_034455; 5',6'-dimethylspiro[3,5,6,7-tetrahydro-s-indacene-2,2'-indane]-1,1'-dione; Spiro[s-indacene-2(1H),2'-[2H]indene]-1,1'(3'H)-dione, 3,5,6,7-tetrahydro-5',6'-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696641	.	.	.	.	316.4	C22H20O2	34.1	581	4.8	24	0	2	0	"InChI=1S/C22H20O2/c1-12-6-16-10-22(20(23)18(16)7-13(12)2)11-17-8-14-4-3-5-15(14)9-19(17)21(22)24/h6-9H,3-5,10-11H2,1-2H3"	CC1=CC2=C(C=C1C)C(=O)C3(C2)CC4=C(C3=O)C=C5CCCC5=C4	RIKFMTJIAUIXIL-UHFFFAOYSA-N
DG57983	"6',7'-dimethylspiro[3,5,6,7-tetrahydro-s-indacene-2,2'-3H-indene]-1,1'-dione"	393821	"NSC696642; CHEMBL1996936; NSC-696642; NCI60_034456; 6',7'-dimethylspiro[3,5,6,7-tetrahydro-s-indacene-2,2'-indane]-1,1'-dione; Spiro[s-indacene-2(1H),2'-[2H]indene]-1,1'(3'H)-dione, 3,5,6,7-tetrahydro-6',7'-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696642	.	.	.	.	316.4	C22H20O2	34.1	581	4.8	24	0	2	0	"InChI=1S/C22H20O2/c1-12-6-7-16-10-22(21(24)19(16)13(12)2)11-17-8-14-4-3-5-15(14)9-18(17)20(22)23/h6-9H,3-5,10-11H2,1-2H3"	CC1=C(C2=C(CC3(C2=O)CC4=C(C3=O)C=C5CCCC5=C4)C=C1)C	JLKLRLUBLZHTGH-UHFFFAOYSA-N
DG57984	"6',7'-dimethylspiro[3,6,7,8-tetrahydro-as-indacene-2,2'-3H-indene]-1,1'-dione"	393822	"NSC696643; CHEMBL1993716; NSC-696643; NCI60_034457; 6',7'-dimethylspiro[3,6,7,8-tetrahydro-as-indacene-2,2'-indane]-1,1'-dione; Spiro[as-indacene-2(1H),2'-[2H]indene]-1,1'(3'H)-dione, 3,6,7,8-tetrahydro-6',7'-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696643	.	.	.	.	316.4	C22H20O2	34.1	581	4.8	24	0	2	0	"InChI=1S/C22H20O2/c1-12-6-7-15-10-22(20(23)18(15)13(12)2)11-16-9-8-14-4-3-5-17(14)19(16)21(22)24/h6-9H,3-5,10-11H2,1-2H3"	CC1=C(C2=C(CC3(C2=O)CC4=C(C3=O)C5=C(CCC5)C=C4)C=C1)C	MUODGUZOSLYFPP-UHFFFAOYSA-N
DG57985	"4,4',5',7-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione"	393824	"NSC696645; CHEMBL1979420; NSC-696645; NCI60_034459; 4,4',5',7-tetramethyl-2,2'-spirobi[indane]-1,1'-dione; 2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 4,4',5,7'-tetramethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696645	.	.	.	.	304.4	C21H20O2	34.1	538	4.7	23	0	2	0	"InChI=1S/C21H20O2/c1-11-7-8-15-17(14(11)4)10-21(19(15)22)9-16-12(2)5-6-13(3)18(16)20(21)23/h5-8H,9-10H2,1-4H3"	CC1=C(C2=C(C=C1)C(=O)C3(C2)CC4=C(C=CC(=C4C3=O)C)C)C	LWHLLQXQLNXHLH-UHFFFAOYSA-N
DG57986	"5',6,7,7'-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione"	393825	"NSC696646; CHEMBL1977431; NSC-696646; NCI60_034460; 5',6,7,7'-tetramethyl-2,2'-spirobi[indane]-1,1'-dione; 2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 5,6',7,7'-tetramethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696646	.	.	.	.	304.4	C21H20O2	34.1	538	4.7	23	0	2	0	"InChI=1S/C21H20O2/c1-11-7-13(3)17-16(8-11)10-21(19(17)22)9-15-6-5-12(2)14(4)18(15)20(21)23/h5-8H,9-10H2,1-4H3"	CC1=C(C2=C(CC3(C2=O)CC4=CC(=CC(=C4C3=O)C)C)C=C1)C	TWQKCPQAOKRRQX-UHFFFAOYSA-N
DG57987	"5,5',6',7-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione"	393827	"NSC696648; CHEMBL1971686; NSC-696648; NCI60_034462; 5,5',6',7-tetramethyl-2,2'-spirobi[indane]-1,1'-dione; 2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 5,5',6,7'-tetramethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696648	.	.	.	.	304.4	C21H20O2	34.1	538	4.7	23	0	2	0	"InChI=1S/C21H20O2/c1-11-5-14(4)18-16(6-11)10-21(20(18)23)9-15-7-12(2)13(3)8-17(15)19(21)22/h5-8H,9-10H2,1-4H3"	CC1=CC(=C2C(=C1)CC3(C2=O)CC4=C(C3=O)C=C(C(=C4)C)C)C	QSODPZCJEHZALK-UHFFFAOYSA-N
DG57988	"methyl 2-(1'-oxospiro[3,4-dihydropyrazole-5,2'-3H-cyclopenta[a]naphthalene]-4-yl)benzoate"	393828	"NSC696649; CHEMBL1993574; NSC-696649; methyl 2-(1'-oxospiro[3,4-dihydropyrazole-5,2'-3H-cyclopenta[a]naphthalene]-4-yl)benzoate; NCI60_034463; Benzoic acid, 2-(1,3,4',5'-tetrahydro-1-oxospiro[2H-benz[e]indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696649	.	.	.	.	370.4	C23H18N2O3	68.1	677	4.4	28	0	5	3	"InChI=1S/C23H18N2O3/c1-28-22(27)18-9-5-4-8-17(18)19-13-24-25-23(19)12-15-11-10-14-6-2-3-7-16(14)20(15)21(23)26/h2-11,19H,12-13H2,1H3"	COC(=O)C1=CC=CC=C1C2CN=NC23CC4=C(C3=O)C5=CC=CC=C5C=C4	VODISZCOJIVBTN-UHFFFAOYSA-N
DG57989	"spiro[3H-cyclopenta[a]naphthalene-2,2'-indane]-1,1'-dione"	393831	"NSC696652; CHEMBL1971957; NSC-696652; NCI60_034466; spiro[3H-cyclopenta[a]naphthalene-2,2'-indane]-1,1'-dione; Spiro[2H-benz[e]indene-2,2'-[2H]indene]-1,1'(3'H,3H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696652	.	.	.	.	298.3	C21H14O2	34.1	538	4.5	23	0	2	0	"InChI=1S/C21H14O2/c22-19-17-8-4-2-6-14(17)11-21(19)12-15-10-9-13-5-1-3-7-16(13)18(15)20(21)23/h1-10H,11-12H2"	C1C2=C(C3=CC=CC=C3C=C2)C(=O)C14CC5=CC=CC=C5C4=O	FVXKPFUNFTXVFP-UHFFFAOYSA-N
DG57990	"2-[4,10-Bis(3-aminopropyl)-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid"	393882	"NSC696843; CHEMBL1965239; NSC-696843; 2-[4,10-bis(3-aminopropyl)-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid; NCI60_034483; 1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid, 4,10-bis(3-aminopropyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696843	.	.	.	.	402.5	C18H38N6O4	140	398	-6.7	28	4	10	10	"InChI=1S/C18H38N6O4/c19-3-1-5-21-7-11-23(15-17(25)26)13-9-22(6-2-4-20)10-14-24(12-8-21)16-18(27)28/h1-16,19-20H2,(H,25,26)(H,27,28)"	C1CN(CCN(CCN(CCN1CCCN)CC(=O)O)CCCN)CC(=O)O	WWXSZLHRQUYCHA-UHFFFAOYSA-N
DG57991	"Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate"	393883	"NSC696844; Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate; 1,7-bis(benzyloxycarbonyl)-1,4,7,10-tetraazacyclododecane; SCHEMBL3778880; CHEMBL1964869; dibenzyl 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate; MFCD27964188; NSC-696844; 162148-45-0; NCI60_034484; SY286081; 1,7-dibenzyloxycarbonyl-1,4,7,10-tetraazacyclododecane; 1,7-bis-(benzyloxycarbonyl)-1,4,7,10-tetraazacyclododecane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696844	.	.	.	.	440.5	C24H32N4O4	83.1	490	1.9	32	2	6	6	"InChI=1S/C24H32N4O4/c29-23(31-19-21-7-3-1-4-8-21)27-15-11-25-13-17-28(18-14-26-12-16-27)24(30)32-20-22-9-5-2-6-10-22/h1-10,25-26H,11-20H2"	C1CN(CCNCCN(CCN1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3	XLXMYMNBHSMTEB-UHFFFAOYSA-N
DG57992	"2-[4-(Carboxymethyl)-1,4,7,10-tetrazabicyclo[5.5.5]heptadecan-10-yl]acetic acid"	393887	"NSC696847; CHEMBL1976683; NSC-696847; 2-[4-(carboxymethyl)-1,4,7,10-tetrazabicyclo[5.5.5]heptadecan-10-yl]acetic acid; NCI60_034487; 1,4,7,10-Tetraazabicyclo[5.5.5]heptadecane-4,10-diacetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696847	.	.	.	.	356.5	C17H32N4O4	87.6	381	-4.4	25	2	8	4	"InChI=1S/C17H32N4O4/c22-16(23)14-20-10-6-18-4-2-1-3-5-19(8-12-20)9-13-21(11-7-18)15-17(24)25/h1-15H2,(H,22,23)(H,24,25)"	C1CCN2CCN(CCN(CC1)CCN(CC2)CC(=O)O)CC(=O)O	UPJIPCWEISIMQC-UHFFFAOYSA-N
DG57993	"2-[13-(Carboxymethyl)-1,10,13,18-tetrazabicyclo[8.5.5]icosan-18-yl]acetic acid"	393889	"NSC696849; CHEMBL1986119; NSC-696849; 2-[13-(carboxymethyl)-1,10,13,18-tetrazabicyclo[8.5.5]icosan-18-yl]acetic acid; NCI60_034489; 1,10,13,18-Tetraazabicyclo[8.5.5]eicosane-13,18-diacetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696849	.	.	.	.	398.5	C20H38N4O4	87.6	419	-2.9	28	2	8	4	"InChI=1S/C20H38N4O4/c25-19(26)17-23-13-9-21-7-5-3-1-2-4-6-8-22(11-15-23)12-16-24(14-10-21)18-20(27)28/h1-18H2,(H,25,26)(H,27,28)"	C1CCCCN2CCN(CCN(CCC1)CCN(CC2)CC(=O)O)CC(=O)O	GWOCADJLDQSWMA-UHFFFAOYSA-N
DG57994	NSC696853	393893	"Benzyl 4-((7-(2-(4-((benzyloxy)carbonyl)-1-piperazinyl)-2-oxoethyl)-4,10-bis(2-tert-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetyl)-1-piperazinecarboxylate; NSC696853; Neuro_000488; CHEMBL2002124; NSC-696853; NCI60_034493; 1,7,10-Tetraazacyclododecane-1,7-diacetic acid, 4,10-bis[2-oxo-2-[4-[(phenylmethoxy)carbonyl]- 1-piperazinyl]ethyl]-, bis(1,1-dimethylethyl) ester; Benzyl 4-((7-(2-(4-((benzyloxy)carbonyl)-1-piperazinyl)-2-oxoethyl)-4,10-bis(2-tert-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetyl)-1-piperazinecarboxylate; benzyl 4-[2-[7-[2-(4-benzyloxycarbonylpiperazin-1-yl)-2-oxo-ethyl]-4,10-bis(2-tert-butoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]piperazine-1-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696853	.	.	.	.	921.1	C48H72N8O10	165	1430	3.4	66	0	14	18	"InChI=1S/C48H72N8O10/c1-47(2,3)65-43(59)35-51-21-17-49(33-41(57)53-25-29-55(30-26-53)45(61)63-37-39-13-9-7-10-14-39)19-23-52(36-44(60)66-48(4,5)6)24-20-50(18-22-51)34-42(58)54-27-31-56(32-28-54)46(62)64-38-40-15-11-8-12-16-40/h7-16H,17-38H2,1-6H3"	CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)N2CCN(CC2)C(=O)OCC3=CC=CC=C3)CC(=O)OC(C)(C)C)CC(=O)N4CCN(CC4)C(=O)OCC5=CC=CC=C5	KGXSNQOZVFIMKQ-UHFFFAOYSA-N
DG57995	"2-(1,4,7-Triazonan-1-yl)acetic acid"	393897	"NSC696857; 1,4,7-Triazacyclononane-1-acetic acid; 2-(1,4,7-triazonan-1-yl)acetic acid; 120703-02-8; SCHEMBL472190; CHEMBL1967498; DTXSID30327858; 1,4,7-Triazonan-1-ylacetic acid; ZINC19365649; NSC-696857; NCI60_034497"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696857	.	.	.	.	187.24	C8H17N3O2	64.599	154	-3.5	13	3	5	2	"InChI=1S/C8H17N3O2/c12-8(13)7-11-5-3-9-1-2-10-4-6-11/h9-10H,1-7H2,(H,12,13)"	C1CNCCN(CCN1)CC(=O)O	SQWPTEOHBLSZQE-UHFFFAOYSA-N
DG57996	"tert-Butyl 1,4,7-triazonan-1-ylacetate"	393898	"NSC696858; tert-Butyl 1,4,7-triazonan-1-ylacetate; tert-butyl 2-(1,4,7-triazonan-1-yl)acetate; CHEMBL1975113; NSC-696858; NCI60_034498; 1,4,7-Triazacyclononane-1-acetic acid tert-butyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696858	.	.	.	.	243.35	C12H25N3O2	53.6	228	0.1	17	2	5	4	"InChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)10-15-8-6-13-4-5-14-7-9-15/h13-14H,4-10H2,1-3H3"	CC(C)(C)OC(=O)CN1CCNCCNCC1	ASXRRCSNWSZWHO-UHFFFAOYSA-N
DG57997	"1,4-Bis(diethoxyphosphorylmethyl)-1,4,7-triazonane"	393899	"NSC696859; 1,4-bis(diethoxyphosphorylmethyl)-1,4,7-triazonane; CHEMBL1964564; NSC-696859; NCI60_034499; Diethyl (4-((diethoxyphosphoryl)methyl)-1,4,7-triazonan-1-yl)methylphosphonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696859	.	.	.	.	429.43	C16H37N3O6P2	89.6	435	-0.2	27	1	9	12	"InChI=1S/C16H37N3O6P2/c1-5-22-26(20,23-6-2)15-18-11-9-17-10-12-19(14-13-18)16-27(21,24-7-3)25-8-4/h17H,5-16H2,1-4H3"	CCOP(=O)(CN1CCNCCN(CC1)CP(=O)(OCC)OCC)OCC	WREFZCRJNXBADO-UHFFFAOYSA-N
DG57998	"[4,10-Bis(phosphonomethyl)-1,4,7,10,13-pentazacyclopentadec-1-yl]methylphosphonic acid"	393900	"NSC696861; CHEMBL1970039; NSC-696861; [4,10-bis(phosphonomethyl)-1,4,7,10,13-pentazacyclopentadec-1-yl]methylphosphonic acid; NCI60_034501; (4,10-Bis(phosphonomethyl)-1,4,7,10,13-pentaazacyclopentadecan-1-yl)methylphosphonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696861	.	.	.	.	497.36	C13H34N5O9P3	206	598	-12.8	30	8	14	6	"InChI=1S/C13H34N5O9P3/c19-28(20,21)11-16-5-1-14-3-7-17(12-29(22,23)24)9-10-18(13-30(25,26)27)8-4-15-2-6-16/h14-15H,1-13H2,(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)"	C1CN(CCNCCN(CCN(CCN1)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O	SLKOTJPUOZGKFS-UHFFFAOYSA-N
DG57999	"2-[4-(Carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid"	393901	"NSC696862; 1H-1,4,7-Triazonine-1,4(5H)-diacetic acid, hexahydro-; 2-[4-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid; 169698-13-9; SCHEMBL472213; CHEMBL1982220; ZINC19365653; NSC-696862; NCI60_034502; 1,4,7-Triazacyclononane-1,4-bisacetic acid; 1,4,7-triazacyclononane-1,4-diacetic acid; 1,4-bis-(carboxymethyl)-1,4,7-triazacyclononane; 4,7-bis-(carboxymethyl)-1,4,7-triazacyclononane; 1H-1,7-Triazonine-1,4-diacetic acid, octahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696862	.	.	.	.	245.28	C10H19N3O4	93.1	246	-5.7	17	3	7	4	"InChI=1S/C10H19N3O4/c14-9(15)7-12-3-1-11-2-4-13(6-5-12)8-10(16)17/h11H,1-8H2,(H,14,15)(H,16,17)"	C1CN(CCN(CCN1)CC(=O)O)CC(=O)O	WBRUPBYQJCBBBL-UHFFFAOYSA-N
DG58000	"Tert-butyl 2-[4-(2-tert-butoxy-2-oxo-ethyl)-1,4,7-triazonan-1-yl]acetate"	393902	"NSC696863; 174137-97-4; tert-butyl 2-[4-(2-tert-butoxy-2-oxo-ethyl)-1,4,7-triazonan-1-yl]acetate; tert-butyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]acetate; NO2AtBu; NO2A(tBu); SCHEMBL1149470; CHEMBL1990616; di-tert-butyl 2,2'-(1,4,7-triazonane-1,4-diyl)diacetate; MFCD32706548; AT11732; FC-2123; NSC-696863; NCI60_034503; NODA,1,4-BIS(BOC)-1,4,7-TRIAZACYCLONONANE; 1,4,7-Triazacyclononane-1,4-diacetic acid di-tert-butyl ester; 1H-1,4,7-Triazonine-1,4(5H)-diacetic acid, hexahydro-, bis(1,1-dimethylethyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696863	.	.	.	.	357.5	C18H35N3O4	71.1	401	1.5	25	1	7	8	"InChI=1S/C18H35N3O4/c1-17(2,3)24-15(22)13-20-9-7-19-8-10-21(12-11-20)14-16(23)25-18(4,5)6/h19H,7-14H2,1-6H3"	CC(C)(C)OC(=O)CN1CCNCCN(CC1)CC(=O)OC(C)(C)C	KAGBCHRKKXTZOY-UHFFFAOYSA-N
DG58001	"[4-(Phosphonomethyl)-1,4,7-triazonan-1-yl]methylphosphonic acid"	393903	"NSC696864; [4-(phosphonomethyl)-1,4,7-triazonan-1-yl]methylphosphonic acid; (4-(Phosphonomethyl)-1,4,7-triazonan-1-yl)methylphosphonic acid; SCHEMBL472195; CHEMBL1970396; NSC-696864; NCI60_034504; n,n'-bis(dihydroxyphosphorylmethyl)-1,4,7-triazacyclononane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696864	.	.	.	.	317.22	C8H21N3O6P2	134	336	-8.4	19	5	9	4	"InChI=1S/C8H21N3O6P2/c12-18(13,14)7-10-3-1-9-2-4-11(6-5-10)8-19(15,16)17/h9H,1-8H2,(H2,12,13,14)(H2,15,16,17)"	C1CN(CCN(CCN1)CP(=O)(O)O)CP(=O)(O)O	IDAAYIXNILONEM-UHFFFAOYSA-N
DG58002	"2-[4-(Phosphonomethyl)-1,4,7-triazonan-1-yl]acetic acid"	393906	"NSC696867; CHEMBL1967193; 2-[4-(phosphonomethyl)-1,4,7-triazonan-1-yl]acetic acid; NSC-696867; NCI60_034507; (4-(Phosphonomethyl)-1,4,7-triazonan-1-yl)acetic acid; 1H-1,7-Triazonine-1-acetic acid, 4-[(dihydroxyphosphoryl)methyl]-octahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696867	.	.	.	.	281.25	C9H20N3O5P	113	321	-7	18	4	8	4	"InChI=1S/C9H20N3O5P/c13-9(14)7-11-3-1-10-2-4-12(6-5-11)8-18(15,16)17/h10H,1-8H2,(H,13,14)(H2,15,16,17)"	C1CN(CCN(CCN1)CP(=O)(O)O)CC(=O)O	NUYHUEQNAUHXQL-UHFFFAOYSA-N
DG58003	1-(Naphthalen-2-ylmethyl)-4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]piperidine;hydrochloride	393913	NSC-696885; NSC696885; CHEMBL1967389	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696885	.	.	.	.	485.1	C32H37ClN2	6.5	563	.	35	1	2	5	"InChI=1S/C32H36N2.ClH/c1-3-7-31-21-25(9-11-27(31)5-1)23-33-17-13-29(14-18-33)30-15-19-34(20-16-30)24-26-10-12-28-6-2-4-8-32(28)22-26;/h1-12,21-22,29-30H,13-20,23-24H2;1H"	C1CN(CCC1C2CCN(CC2)CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5.Cl	IJMDEGDLJQDMGI-UHFFFAOYSA-N
DG58004	"Malononitrile,3-bis(phenylthio)-3-cyclohexen-1-yl]-, trans-"	393918	"NSC696891; CHEMBL1991386; NSC-696891; NCI60_034515; Malononitrile,3-bis(phenylthio)-3-cyclohexen-1-yl]-, trans-; Propanedinitrile,3-bis(phenylthio)-3-cyclohexen-1-yl]-, trans-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696891	.	.	.	.	362.5	C21H18N2S2	98.2	539	5.2	25	0	4	5	"InChI=1S/C21H18N2S2/c22-14-16(15-23)19-12-7-13-20(24-17-8-3-1-4-9-17)21(19)25-18-10-5-2-6-11-18/h1-6,8-11,13,16,19,21H,7,12H2/t19-,21-/m0/s1"	C1C[C@H]([C@@H](C(=C1)SC2=CC=CC=C2)SC3=CC=CC=C3)C(C#N)C#N	JLYRTIDIMWSLGV-FPOVZHCZSA-N
DG58005	"4-(4-Chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-1,2,4-triazinan-3-one"	393927	"NSC696899; 4-(4-chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-1,2,4-triazinan-3-one; CHEMBL1990519; NSC-696899; NCI60_034518; 4-((4-Chloro-2-mercapto-5-methylphenyl)sulfonyl)-1,2,4-triazinan-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696899	.	.	.	.	321.8	C10H12ClN3O3S2	87.9	453	1.4	19	3	5	2	"InChI=1S/C10H12ClN3O3S2/c1-6-4-9(8(18)5-7(6)11)19(16,17)14-3-2-12-13-10(14)15/h4-5,12,18H,2-3H2,1H3,(H,13,15)"	CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N2CCNNC2=O	AVBLPDYWIWGNOR-UHFFFAOYSA-N
DG58006	Bis(5-chloro-4-methyl-2-((2-phenoxy-1H-imidazol-1-yl)sulfonyl)phenyl) disulfide	393933	NSC696905; CHEMBL2002608; NSC-696905; NCI60_034524; Bis(5-chloro-4-methyl-2-((2-phenoxy-1H-imidazol-1-yl)sulfonyl)phenyl) disulfide; 1-((4-Chloro-2-((5-chloro-4-methyl-2-((2-phenoxy-1H-imidazol-1-yl)sulfonyl)phenyl)dithio)-5-methylphenyl)sulfonyl)-2-phenoxy-1H-imidazole; 1-[4-chloro-2-[[5-chloro-4-methyl-2-(2-phenoxyimidazol-1-yl)sulfonyl-phenyl]disulfanyl]-5-methyl-phenyl]sulfonyl-2-phenoxy-imidazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696905	.	.	.	.	759.7	C32H24Cl2N4O6S4	190	1170	8.4	48	0	10	11	"InChI=1S/C32H24Cl2N4O6S4/c1-21-17-29(47(39,40)37-15-13-35-31(37)43-23-9-5-3-6-10-23)27(19-25(21)33)45-46-28-20-26(34)22(2)18-30(28)48(41,42)38-16-14-36-32(38)44-24-11-7-4-8-12-24/h3-20H,1-2H3"	CC1=CC(=C(C=C1Cl)SSC2=C(C=C(C(=C2)Cl)C)S(=O)(=O)N3C=CN=C3OC4=CC=CC=C4)S(=O)(=O)N5C=CN=C5OC6=CC=CC=C6	AFZPENALDCLFDL-UHFFFAOYSA-N
DG58007	Bis(5-chloro-2-((2-(3-chlorophenoxy)-1H-imidazol-1-yl)sulfonyl)-4-methylphenyl) disulfide	393934	NSC696906; CHEMBL1999438; NSC-696906; NCI60_034525; Bis(5-chloro-2-((2-(3-chlorophenoxy)-1H-imidazol-1-yl)sulfonyl)-4-methylphenyl) disulfide; 1-((4-Chloro-2-((5-chloro-2-((2-(3-chlorophenoxy)-1H-imidazol-1-yl)sulfonyl)-4-methylphenyl)dithio)-5-methylphenyl)sulfonyl)-2-(3-chlorophenoxy)-1H-imidazole; 1-[4-chloro-2-[[5-chloro-2-[2-(3-chlorophenoxy)imidazol-1-yl]sulfonyl-4-methyl-phenyl]disulfanyl]-5-methyl-phenyl]sulfonyl-2-(3-chlorophenoxy)imidazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696906	.	.	.	.	828.6	C32H22Cl4N4O6S4	190	1250	9.6	50	0	10	11	"InChI=1S/C32H22Cl4N4O6S4/c1-19-13-29(49(41,42)39-11-9-37-31(39)45-23-7-3-5-21(33)15-23)27(17-25(19)35)47-48-28-18-26(36)20(2)14-30(28)50(43,44)40-12-10-38-32(40)46-24-8-4-6-22(34)16-24/h3-18H,1-2H3"	CC1=CC(=C(C=C1Cl)SSC2=C(C=C(C(=C2)Cl)C)S(=O)(=O)N3C=CN=C3OC4=CC(=CC=C4)Cl)S(=O)(=O)N5C=CN=C5OC6=CC(=CC=C6)Cl	UNNAWFSQMXXURP-UHFFFAOYSA-N
DG58008	"2-chloro-N-(4-chlorophenyl)-5-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfamoyl]-4-sulfanylbenzamide"	393939	NSC696911; CHEMBL1978551; NSC-696911; NCI60_034530	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696911	.	.	.	.	536.4	C21H15Cl2N5O4S2	129	901	4.1	34	4	6	6	"InChI=1S/C21H15Cl2N5O4S2/c22-12-6-8-13(9-7-12)24-19(29)15-10-18(17(33)11-16(15)23)34(31,32)27-20-25-26-21(30)28(20)14-4-2-1-3-5-14/h1-11,33H,(H,24,29)(H,25,27)(H,26,30)"	C1=CC=C(C=C1)N2C(=O)NN=C2NS(=O)(=O)C3=C(C=C(C(=C3)C(=O)NC4=CC=C(C=C4)Cl)Cl)S	QOGBPNQGHFLSLT-UHFFFAOYSA-N
DG58009	"4-(bromomethyl)-6-(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-amine"	393944	"NSC696916; CHEMBL1967999; ZINC336506; NSC-696916; 4-(bromomethyl)-6-(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-amine; NCI60_034535; AO-267/15176074"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696916	.	.	.	.	299.17	C10H15BrN6	80.3	318	1.1	17	1	6	2	"InChI=1S/C10H15BrN6/c1-6-4-10(2,3)17(16-6)9-14-7(5-11)13-8(12)15-9/h4-5H2,1-3H3,(H2,12,13,14,15)"	CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CBr	RWPOJZGGDICCEL-UHFFFAOYSA-N
DG58010	"[3-(chloromethyl)-2,3-dihydroindol-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone"	393954	NSC696990; CHEMBL1978525; NSC-696990; NCI60_034545	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696990	.	.	.	.	400.9	C21H21ClN2O4	63.8	565	3.7	28	1	4	5	"InChI=1S/C21H21ClN2O4/c1-26-17-9-12-8-15(23-18(12)20(28-3)19(17)27-2)21(25)24-11-13(10-22)14-6-4-5-7-16(14)24/h4-9,13,23H,10-11H2,1-3H3"	COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=CC=CC=C43)CCl)OC)OC	AQUVDGWNYWDJAJ-UHFFFAOYSA-N
DG58011	3-Chloromethyl-1-([5-methoxybenzo[b]furan-2-yl]-carbonyl)-6-nitroindoline	393955	Nitro-MBF-Cl; NSC696991; CHEMBL1970997; NSC-696991; NCI60_034546; 3-Chloromethyl-1-([5-methoxybenzo[b]furan-2-yl]-carbonyl)-6-nitroindoline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696991	.	.	.	.	386.8	C19H15ClN2O5	88.5	585	3.9	27	0	5	3	"InChI=1S/C19H15ClN2O5/c1-26-14-3-5-17-11(6-14)7-18(27-17)19(23)21-10-12(9-20)15-4-2-13(22(24)25)8-16(15)21/h2-8,12H,9-10H2,1H3"	COC1=CC2=C(C=C1)OC(=C2)C(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl	QXOZQTZJASWELT-UHFFFAOYSA-N
DG58012	Nitro MBF-SO2-Cl	393956	NSC696992; Nitro MBF-SO2-Cl; Neuro_000489; CHEMBL2006640; NSC-696992; NCI60_034547; 3-Chloromethyl-1-([5-methoxybenzofuran]sulfonyl)-6-nitroindoline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696992	.	.	.	.	422.8	C18H15ClN2O6S	114	695	3.6	28	0	7	4	"InChI=1S/C18H15ClN2O6S/c1-26-14-3-5-17-11(6-14)7-18(27-17)28(24,25)20-10-12(9-19)15-4-2-13(21(22)23)8-16(15)20/h2-8,12H,9-10H2,1H3"	COC1=CC2=C(C=C1)OC(=C2)S(=O)(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl	FYERFCKDMKWREM-UHFFFAOYSA-N
DG58013	Nitro MMI-Cl	393957	Nitro MMI-Cl; NSC696993; CHEMBL1976701; NSC-696993; NCI60_034548; 3-Chloromethyl-1-[(5-methoxyindol-2-yl)carbonyl]-6-nitroindoline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696993	.	.	.	.	385.8	C19H16ClN3O4	91.2	586	3.6	27	1	4	3	"InChI=1S/C19H16ClN3O4/c1-27-14-3-5-16-11(6-14)7-17(21-16)19(24)22-10-12(9-20)15-4-2-13(23(25)26)8-18(15)22/h2-8,12,21H,9-10H2,1H3"	COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl	ZHGAQKHGMIEBNJ-UHFFFAOYSA-N
DG58014	"(4-Amino-5-cyano-6,7-dimethyl-1,3-dioxo-isoindolin-2-yl) benzenesulfonate"	393962	"NSC697034; CHEMBL1976266; NSC-697034; NCI60_034553; (4-amino-5-cyano-6,7-dimethyl-1,3-dioxo-isoindolin-2-yl) benzenesulfonate; 4-Amino-6,7-dimethyl-1,3-dioxo-2-((phenylsulfonyl)oxy)-5-isoindolinecarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697034	.	.	.	.	371.4	C17H13N3O5S	139	746	2.4	26	1	7	3	"InChI=1S/C17H13N3O5S/c1-9-10(2)13-14(15(19)12(9)8-18)17(22)20(16(13)21)25-26(23,24)11-6-4-3-5-7-11/h3-7H,19H2,1-2H3"	CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)OS(=O)(=O)C3=CC=CC=C3)C	NDSQVXLQJGMRKS-UHFFFAOYSA-N
DG58015	"4-Amino-2-anilino-6,7-dimethyl-1,3-dioxo-5-isoindolinecarbonitrile"	393965	"NSC697037; CHEMBL1967397; NSC-697037; NCI60_034556; 4-Amino-2-anilino-6,7-dimethyl-1,3-dioxo-5-isoindolinecarbonitrile; 4-amino-2-anilino-6,7-dimethyl-1,3-dioxo-isoindoline-5-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697037	.	.	.	.	306.32	C17H14N4O2	99.2	548	3.1	23	2	5	2	"InChI=1S/C17H14N4O2/c1-9-10(2)13-14(15(19)12(9)8-18)17(23)21(16(13)22)20-11-6-4-3-5-7-11/h3-7,20H,19H2,1-2H3"	CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)NC3=CC=CC=C3)C	UFNNAJYEGQUZDX-UHFFFAOYSA-N
DG58016	"(4-Amino-5-cyano-1,3-dioxo-6,7-diphenyl-isoindolin-2-yl) 4-methylbenzenesulfonate"	393968	"NSC697040; CHEMBL1968710; NSC-697040; NCI60_034559; (4-amino-5-cyano-1,3-dioxo-6,7-diphenyl-isoindolin-2-yl) 4-methylbenzenesulfonate; 4-Amino-2-(((4-methylphenyl)sulfonyl)oxy)-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697040	.	.	.	.	509.5	C28H19N3O5S	139	1010	5.3	37	1	7	5	"InChI=1S/C28H19N3O5S/c1-17-12-14-20(15-13-17)37(34,35)36-31-27(32)24-23(19-10-6-3-7-11-19)22(18-8-4-2-5-9-18)21(16-29)26(30)25(24)28(31)33/h2-15H,30H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C(C(=C(C(=C3C2=O)N)C#N)C4=CC=CC=C4)C5=CC=CC=C5	SIMLLKKCRICXKI-UHFFFAOYSA-N
DG58017	"4-Amino-2-anilino-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile"	393973	"NSC697045; CHEMBL2003870; NSC-697045; NCI60_034564; 4-Amino-2-anilino-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile; 4-amino-2-anilino-1,3-dioxo-6,7-diphenyl-isoindoline-5-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697045	.	.	.	.	430.5	C27H18N4O2	99.2	772	5.6	33	2	5	4	"InChI=1S/C27H18N4O2/c28-16-20-21(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23-24(25(20)29)27(33)31(26(23)32)30-19-14-8-3-9-15-19/h1-15,30H,29H2"	C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)N(C3=O)NC5=CC=CC=C5)N)C#N	BIGXHKZVGYIKTJ-UHFFFAOYSA-N
DG58018	Ethyl 3-(4-fluorophenoxy)-7-(trifluoromethyl)quinoxaline-2-carboxylate	394000	NSC697103; ethyl 3-(4-fluorophenoxy)-7-(trifluoromethyl)quinoxaline-2-carboxylate; CHEMBL2005625; NSC-697103; NCI60_034579; Ethyl 3-(4-fluorophenoxy)-7-(trifluoromethyl)-2-quinoxalinecarboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697103	.	.	.	.	380.3	C18H12F4N2O3	61.3	511	4.6	27	0	9	5	"InChI=1S/C18H12F4N2O3/c1-2-26-17(25)15-16(27-12-6-4-11(19)5-7-12)24-13-8-3-10(18(20,21)22)9-14(13)23-15/h3-9H,2H2,1H3"	CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1OC3=CC=C(C=C3)F	ICCNOQYTKIJGEE-UHFFFAOYSA-N
DG58019	"5-[[4-[5-(4-chloroanilino)-1,3,4-thiadiazol-2-yl]anilino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine"	394022	"NSC697140; CHEMBL1999440; NSC-697140; 5-[[4-[5-(4-chloroanilino)-1,3,4-thiadiazol-2-yl]anilino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine; NCI60_034609; 5-(4-(((5-(4-Chloroanilino)-1,3,4-thiadiazol-2-yl)methyl)amino)phenyl)-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine; N-(5-((4-(5-(4-Chloroanilino)-1,3,4-thiadiazol-2-yl)anilino)methyl)-1,3,4-thiadiazol-2-yl)-N-(4-chlorophenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697140	.	.	.	.	526.5	C23H17Cl2N7S2	144	614	7	34	3	9	8	"InChI=1S/C23H17Cl2N7S2/c24-15-3-9-18(10-4-15)27-22-31-29-20(33-22)13-26-17-7-1-14(2-8-17)21-30-32-23(34-21)28-19-11-5-16(25)6-12-19/h1-12,26H,13H2,(H,27,31)(H,28,32)"	C1=CC(=CC=C1C2=NN=C(S2)NC3=CC=C(C=C3)Cl)NCC4=NN=C(S4)NC5=CC=C(C=C5)Cl	JYDDTOOZFMTZFW-UHFFFAOYSA-N
DG58020	"5-[[4-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]anilino]methyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine"	394023	"NSC697141; CHEMBL1991238; NSC-697141; 5-[[4-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]anilino]methyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine; NCI60_034610; 5-(4-(((5-(4-Chloroanilino)-1,3,4-oxadiazol-2-yl)methyl)amino)phenyl)-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine; N-(5-((4-(5-(4-Chloroanilino)-1,3,4-oxadiazol-2-yl)anilino)methyl)-1,3,4-oxadiazol-2-yl)-N-(4-chlorophenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697141	.	.	.	.	494.3	C23H17Cl2N7O2	114	614	5.8	34	3	9	8	"InChI=1S/C23H17Cl2N7O2/c24-15-3-9-18(10-4-15)27-22-31-29-20(33-22)13-26-17-7-1-14(2-8-17)21-30-32-23(34-21)28-19-11-5-16(25)6-12-19/h1-12,26H,13H2,(H,27,31)(H,28,32)"	C1=CC(=CC=C1C2=NN=C(O2)NC3=CC=C(C=C3)Cl)NCC4=NN=C(O4)NC5=CC=C(C=C5)Cl	SXATZVSGEAKOQZ-UHFFFAOYSA-N
DG58021	"5-[[4-[4-amino-5-(methylamino)-1,2,4-triazol-3-yl]anilino]methyl]-N3-methyl-1,2,4-triazole-3,4-diamine"	394027	"NSC697145; CHEMBL1987022; NSC-697145; NCI60_034614; 5-(4-(((4-Amino-5-(methylamino)-4H-1,2,4-triazol-3-yl)methyl)amino)phenyl)-N~3~-methyl-4H-1,2,4-triazole-3,4-diamine; 5-[[4-[4-amino-5-(methylamino)-1,2,4-triazol-3-yl]anilino]methyl]-N3-methyl-1,2,4-triazole-3,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697145	.	.	.	.	329.36	C13H19N11	150	388	0.2	24	5	9	6	"InChI=1S/C13H19N11/c1-16-12-21-19-10(23(12)14)7-18-9-5-3-8(4-6-9)11-20-22-13(17-2)24(11)15/h3-6,18H,7,14-15H2,1-2H3,(H,16,21)(H,17,22)"	CNC1=NN=C(N1N)CNC2=CC=C(C=C2)C3=NN=C(N3N)NC	OEIXKSOVZGENLH-UHFFFAOYSA-N
DG58022	(2Z)-3-[2-[4-[2-oxo-2-[(2Z)-4-oxo-2-phenylimino-thiazolidin-3-yl]ethoxy]phenoxy]acetyl]-2-phenylimino-thiazolidin-4-one	394028	"NSC697146; CHEMBL1979776; NSC-697146; NCI60_034615; (2Z)-3-[2-[4-[2-oxo-2-[(2Z)-4-oxo-2-phenylimino-thiazolidin-3-yl]ethoxy]phenoxy]acetyl]-2-phenylimino-thiazolidin-4-one; 3-((4-(2-Oxo-2-(4-oxo-2-(phenylimino)-1,3-thiazolidin-3-yl)ethoxy)phenoxy)acetyl)-2-(phenylimino)-1,3-thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697146	.	.	.	.	574.6	C28H22N4O6S2	169	936	5.2	40	0	10	8	"InChI=1S/C28H22N4O6S2/c33-23(31-25(35)17-39-27(31)29-19-7-3-1-4-8-19)15-37-21-11-13-22(14-12-21)38-16-24(34)32-26(36)18-40-28(32)30-20-9-5-2-6-10-20/h1-14H,15-18H2"	C1C(=O)N(C(=NC2=CC=CC=C2)S1)C(=O)COC3=CC=C(C=C3)OCC(=O)N4C(=O)CSC4=NC5=CC=CC=C5	ZUQOSYDFAIAHSS-UHFFFAOYSA-N
DG58023	NSC697150	394032	"1-(4-Methoxyphenyl)-3-[2-[4-[2-[3-(4-methoxyphenyl)-5-oxo-2-thioxo-imidazolidin-1-yl]-2-oxo-ethoxy]phenoxy]acetyl]-2-thioxo-imidazolidin-4-one; NSC697150; CHEMBL1988292; NSC-697150; NCI60_034619; 1-(4-methoxyphenyl)-3-[2-[4-[2-[3-(4-methoxyphenyl)-5-oxo-2-thioxo-imidazolidin-1-yl]-2-oxo-ethoxy]phenoxy]acetyl]-2-thioxo-imidazolidin-4-one; 4-Imidazolidinone, 3,3'-[1,4-phenylenebis[oxy(1-oxo-2,1-ethanediyl)]]bis[1-(4-methoxyphenyl)-2-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697150	.	.	.	.	634.7	C30H26N4O8S2	182	1030	3.9	44	0	10	10	"InChI=1S/C30H26N4O8S2/c1-39-21-7-3-19(4-8-21)31-15-25(35)33(29(31)43)27(37)17-41-23-11-13-24(14-12-23)42-18-28(38)34-26(36)16-32(30(34)44)20-5-9-22(40-2)10-6-20/h3-14H,15-18H2,1-2H3"	COC1=CC=C(C=C1)N2CC(=O)N(C2=S)C(=O)COC3=CC=C(C=C3)OCC(=O)N4C(=O)CN(C4=S)C5=CC=C(C=C5)OC	GARCKZWVQHRBOD-UHFFFAOYSA-N
DG58024	NSC697151	394033	"1-[2-[4-[2-(4,6-Dioxo-3-phenyl-2-thioxo-hexahydropyrimidin-1-yl)-2-oxo-ethoxy]phenoxy]acetyl]-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione; NSC697151; CHEMBL1980547; NSC-697151; NCI60_034620; 1-((4-(2-(4,6-Dioxo-3-phenyl-2-thioxotetrahydro-1(2H)-pyrimidinyl)-2-oxoethoxy)phenoxy)acetyl)-3-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione; 1-[2-[4-[2-(4,6-dioxo-3-phenyl-2-thioxo-hexahydropyrimidin-1-yl)-2-oxo-ethoxy]phenoxy]acetyl]-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697151	.	.	.	.	630.7	C30H22N4O8S2	198	1120	3.8	44	0	10	8	"InChI=1S/C30H22N4O8S2/c35-23-15-25(37)33(29(43)31(23)19-7-3-1-4-8-19)27(39)17-41-21-11-13-22(14-12-21)42-18-28(40)34-26(38)16-24(36)32(30(34)44)20-9-5-2-6-10-20/h1-14H,15-18H2"	C1C(=O)N(C(=S)N(C1=O)C(=O)COC2=CC=C(C=C2)OCC(=O)N3C(=O)CC(=O)N(C3=S)C4=CC=CC=C4)C5=CC=CC=C5	YBSIFJGRQULWCB-UHFFFAOYSA-N
DG58025	NSC697152	394034	"1-(4-Chlorophenyl)-3-((4-(2-(3-(4-chlorophenyl)-4,6-dioxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)-2-oxoethoxy)phenoxy)acetyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione; NSC697152; CHEMBL1973708; NSC-697152; NCI60_034621; 1-(4-Chlorophenyl)-3-((4-(2-(3-(4-chlorophenyl)-4,6-dioxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)-2-oxoethoxy)phenoxy)acetyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione; 1-(4-chlorophenyl)-3-[2-[4-[2-[3-(4-chlorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]-2-oxo-ethoxy]phenoxy]acetyl]-2-thioxo-hexahydropyrimidine-4,6-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697152	.	.	.	.	699.5	C30H20Cl2N4O8S2	198	1180	5	46	0	10	8	"InChI=1S/C30H20Cl2N4O8S2/c31-17-1-5-19(6-2-17)33-23(37)13-25(39)35(29(33)45)27(41)15-43-21-9-11-22(12-10-21)44-16-28(42)36-26(40)14-24(38)34(30(36)46)20-7-3-18(32)4-8-20/h1-12H,13-16H2"	C1C(=O)N(C(=S)N(C1=O)C(=O)COC2=CC=C(C=C2)OCC(=O)N3C(=O)CC(=O)N(C3=S)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	CPQXNNCZHCTMIJ-UHFFFAOYSA-N
DG58026	NSC697153	394035	"1-(4-Methoxyphenyl)-3-((4-(2-(3-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)-2-oxoethoxy)phenoxy)acetyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione; NSC697153; CHEMBL1971950; NSC-697153; NCI60_034622; 1-(4-Methoxyphenyl)-3-((4-(2-(3-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)-2-oxoethoxy)phenoxy)acetyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione; 1-(4-methoxyphenyl)-3-[2-[4-[2-[3-(4-methoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]-2-oxo-ethoxy]phenoxy]acetyl]-2-thioxo-hexahydropyrimidine-4,6-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697153	.	.	.	.	690.7	C32H26N4O10S2	217	1210	3.7	48	0	12	10	"InChI=1S/C32H26N4O10S2/c1-43-21-7-3-19(4-8-21)33-25(37)15-27(39)35(31(33)47)29(41)17-45-23-11-13-24(14-12-23)46-18-30(42)36-28(40)16-26(38)34(32(36)48)20-5-9-22(44-2)10-6-20/h3-14H,15-18H2,1-2H3"	COC1=CC=C(C=C1)N2C(=O)CC(=O)N(C2=S)C(=O)COC3=CC=C(C=C3)OCC(=O)N4C(=O)CC(=O)N(C4=S)C5=CC=C(C=C5)OC	HZNIJNVFHZZTOU-UHFFFAOYSA-N
DG58027	"2-[(4-Chlorophenoxy)methyl]-5-[8-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole"	394037	"NSC697155; 2-[(4-chlorophenoxy)methyl]-5-[8-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole; 2-((4-Chlorophenoxy)methyl)-5-(8-(5-((4-chlorophenoxy)methyl)-1,3,4-oxadiazol-2-yl)octyl)-1,3,4-oxadiazole; CHEMBL1985556; NSC-697155; NCI60_034624"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697155	.	.	.	.	531.4	C26H28Cl2N4O4	96.3	544	7	36	0	8	15	"InChI=1S/C26H28Cl2N4O4/c27-19-9-13-21(14-10-19)33-17-25-31-29-23(35-25)7-5-3-1-2-4-6-8-24-30-32-26(36-24)18-34-22-15-11-20(28)12-16-22/h9-16H,1-8,17-18H2"	C1=CC(=CC=C1OCC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)COC4=CC=C(C=C4)Cl)Cl	NTIBDBJUJUEXAM-UHFFFAOYSA-N
DG58028	"2-[[5-[8-[5-[(1-Hydroxynaphthalen-2-yl)oxymethyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methoxy]naphthalen-1-ol"	394039	"NSC697157; CHEMBL2005547; NSC-697157; 2-[[5-[8-[5-[(1-hydroxynaphthalen-2-yl)oxymethyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methoxy]naphthalen-1-ol; NCI60_034626; 2-((5-(8-(5-(((1-Hydroxy-2-naphthyl)oxy)methyl)-1,3,4-oxadiazol-2-yl)octyl)-1,3,4-oxadiazol-2-yl)methoxy)-1-naphthol; 2-[[5-[8-[5-[(1-hydroxy-2-naphthyl)oxymethyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methoxy]naphthalen-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697157	.	.	.	.	594.7	C34H34N4O6	137	776	7.5	44	2	10	15	"InChI=1S/C34H34N4O6/c39-33-25-13-9-7-11-23(25)17-19-27(33)41-21-31-37-35-29(43-31)15-5-3-1-2-4-6-16-30-36-38-32(44-30)22-42-28-20-18-24-12-8-10-14-26(24)34(28)40/h7-14,17-20,39-40H,1-6,15-16,21-22H2"	C1=CC=C2C(=C1)C=CC(=C2O)OCC3=NN=C(O3)CCCCCCCCC4=NN=C(O4)COC5=C(C6=CC=CC=C6C=C5)O	OCKVEYOSIIGNBI-UHFFFAOYSA-N
DG58029	"3-[8-[4-anilino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]octyl]-5-(phenoxymethyl)-N-phenyl-1,2,4-triazol-4-amine"	394047	"NSC697165; NCIChal_000047; CHEMBL194723; SCHEMBL12168382; CCG-36207; NSC-697165; 3-[8-[4-anilino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]octyl]-5-(phenoxymethyl)-N-phenyl-1,2,4-triazol-4-amine; NCI60_034634; 4H-1,4-Triazol-4-amine, 3,3'-(1,8-octanediyl)bis[5-(phenoxymethyl)-N-phenyl-; N-(3-(8-(4-Anilino-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)octyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-4-yl)-N-phenylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697165	.	.	.	.	642.8	C38H42N8O2	104	779	9.1	48	2	8	19	"InChI=1S/C38H42N8O2/c1(3-17-27-35-39-41-37(29-47-33-23-13-7-14-24-33)45(35)43-31-19-9-5-10-20-31)2-4-18-28-36-40-42-38(30-48-34-25-15-8-16-26-34)46(36)44-32-21-11-6-12-22-32/h5-16,19-26,43-44H,1-4,17-18,27-30H2"	C1=CC=C(C=C1)NN2C(=NN=C2COC3=CC=CC=C3)CCCCCCCCC4=NN=C(N4NC5=CC=CC=C5)COC6=CC=CC=C6	WUGBJQZFEUEUFD-UHFFFAOYSA-N
DG58030	NSC697166	394048	"3-[8-[4-anilino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(4-chlorophenoxy)methyl]-N-phenyl-1,2,4-triazol-4-amine; NSC697166; CHEMBL195851; NSC-697166; 3-[8-[4-anilino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(4-chlorophenoxy)methyl]-N-phenyl-1,2,4-triazol-4-amine; NCI60_034635; 4H-1,4-Triazol-4-amine, 3,3'-(1,8-octanediyl)bis[5-[(4-chlorophenoxy)methyl]- N-phenyl-; N-(3-(8-(4-Anilino-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)octyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-4-yl)-N-phenylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697166	.	.	.	.	711.7	C38H40Cl2N8O2	104	843	10.3	50	2	8	19	"InChI=1S/C38H40Cl2N8O2/c39-29-19-23-33(24-20-29)49-27-37-43-41-35(47(37)45-31-13-7-5-8-14-31)17-11-3-1-2-4-12-18-36-42-44-38(28-50-34-25-21-30(40)22-26-34)48(36)46-32-15-9-6-10-16-32/h5-10,13-16,19-26,45-46H,1-4,11-12,17-18,27-28H2"	C1=CC=C(C=C1)NN2C(=NN=C2COC3=CC=C(C=C3)Cl)CCCCCCCCC4=NN=C(N4NC5=CC=CC=C5)COC6=CC=C(C=C6)Cl	RQIVURUKFMFAAP-UHFFFAOYSA-N
DG58031	NSC697167	394049	"2-[[4-Anilino-5-[8-[4-anilino-5-[(1-hydroxy-2-naphthyl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-1-ol; NSC697167; CHEMBL194665; NSC-697167; NCI60_034636; 2-((4-Anilino-5-(8-(4-anilino-5-(((1-hydroxy-2-naphthyl)oxy)methyl)-4H-1,2,4-triazol-3-yl)octyl)-4H-1,2,4-triazol-3-yl)methoxy)-1-naphthol; 2-[[4-anilino-5-[8-[4-anilino-5-[(1-hydroxy-2-naphthyl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697167	.	.	.	.	774.9	C46H46N8O4	144	1090	10.8	58	4	10	19	"InChI=1S/C46H46N8O4/c55-45-37-23-15-13-17-33(37)27-29-39(45)57-31-43-49-47-41(53(43)51-35-19-7-5-8-20-35)25-11-3-1-2-4-12-26-42-48-50-44(54(42)52-36-21-9-6-10-22-36)32-58-40-30-28-34-18-14-16-24-38(34)46(40)56/h5-10,13-24,27-30,51-52,55-56H,1-4,11-12,25-26,31-32H2"	C1=CC=C(C=C1)NN2C(=NN=C2COC3=C(C4=CC=CC=C4C=C3)O)CCCCCCCCC5=NN=C(N5NC6=CC=CC=C6)COC7=C(C8=CC=CC=C8C=C7)O	UVKTWWXWFPPPED-UHFFFAOYSA-N
DG58032	NSC697168	394050	"1-[[4-Anilino-5-[8-[4-anilino-5-[(2-hydroxy-1-naphthyl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-2-ol; NSC697168; CHEMBL194220; SCHEMBL12168383; NSC-697168; NCI60_034637; 1-((4-Anilino-5-(8-(4-anilino-5-(((2-hydroxy-1-naphthyl)oxy)methyl)-4H-1,2,4-triazol-3-yl)octyl)-4H-1,2,4-triazol-3-yl)methoxy)-2-naphthol; 1-[[4-anilino-5-[8-[4-anilino-5-[(2-hydroxy-1-naphthyl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697168	.	.	.	.	774.9	C46H46N8O4	144	1090	10.8	58	4	10	19	"InChI=1S/C46H46N8O4/c55-39-29-27-33-17-13-15-23-37(33)45(39)57-31-43-49-47-41(53(43)51-35-19-7-5-8-20-35)25-11-3-1-2-4-12-26-42-48-50-44(54(42)52-36-21-9-6-10-22-36)32-58-46-38-24-16-14-18-34(38)28-30-40(46)56/h5-10,13-24,27-30,51-52,55-56H,1-4,11-12,25-26,31-32H2"	C1=CC=C(C=C1)NN2C(=NN=C2COC3=C(C=CC4=CC=CC=C43)O)CCCCCCCCC5=NN=C(N5NC6=CC=CC=C6)COC7=C(C=CC8=CC=CC=C87)O	LNDVDGHWVHFAEB-UHFFFAOYSA-N
DG58033	NSC697169	394051	"3-[8-[4-anilino-5-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,2,4-triazol-4-amine; NSC697169; CHEMBL363569; NSC-697169; 3-[8-[4-anilino-5-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,2,4-triazol-4-amine; NCI60_034638; 4H-1,4-Triazol-4-amine, 3,3'-(1,8-octanediyl)bis[5-[(2,4-dichlorophenoxy)methyl]- N-phenyl-; N-(3-(8-(4-Anilino-5-((2,4-dichlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)octyl)-5-((2,4-dichlorophenoxy)methyl)-4H-1,2,4-triazol-4-yl)-N-phenylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697169	.	.	.	.	780.6	C38H38Cl4N8O2	104	925	11.6	52	2	8	19	"InChI=1S/C38H38Cl4N8O2/c39-27-19-21-33(31(41)23-27)51-25-37-45-43-35(49(37)47-29-13-7-5-8-14-29)17-11-3-1-2-4-12-18-36-44-46-38(50(36)48-30-15-9-6-10-16-30)26-52-34-22-20-28(40)24-32(34)42/h5-10,13-16,19-24,47-48H,1-4,11-12,17-18,25-26H2"	C1=CC=C(C=C1)NN2C(=NN=C2COC3=C(C=C(C=C3)Cl)Cl)CCCCCCCCC4=NN=C(N4NC5=CC=CC=C5)COC6=C(C=C(C=C6)Cl)Cl	VCMQJXCLTUZMHR-UHFFFAOYSA-N
DG58034	"3-[(4-Chloroanilino)methyl]-5-[8-[4-[(4-chloroanilino)methyl]-5-thioxo-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione"	394059	"NSC697177; CHEMBL1994254; NSC-697177; NCI60_034646; 1,3,4-Oxadiazole-2(3H)-thione, 5,5'-(1,8-octanediyl)bis[3-[[(4-chlorophenyl)amino]methyl]-; 3-[(4-chloroanilino)methyl]-5-[8-[4-[(4-chloroanilino)methyl]-5-thioxo-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697177	.	.	.	.	593.6	C26H30Cl2N6O2S2	138	780	8.4	38	2	8	15	"InChI=1S/C26H30Cl2N6O2S2/c27-19-9-13-21(14-10-19)29-17-33-25(37)35-23(31-33)7-5-3-1-2-4-6-8-24-32-34(26(38)36-24)18-30-22-15-11-20(28)12-16-22/h9-16,29-30H,1-8,17-18H2"	C1=CC(=CC=C1NCN2C(=S)OC(=N2)CCCCCCCCC3=NN(C(=S)O3)CNC4=CC=C(C=C4)Cl)Cl	IUKKVKUJPCDFQA-UHFFFAOYSA-N
DG58035	"2-Phenyl-5-[8-(5-phenyl-1,3,4-oxadiazol-2-yl)octyl]-1,3,4-oxadiazole"	394069	"NSC697187; 2-phenyl-5-[8-(5-phenyl-1,3,4-oxadiazol-2-yl)octyl]-1,3,4-oxadiazole; 2-Phenyl-5-(8-(5-phenyl-1,3,4-oxadiazol-2-yl)octyl)-1,3,4-oxadiazole; CHEMBL1972504; NSC-697187; NCI60_034656; 2,2'-Octamethylenebis(5-phenyl-1,3,4-oxadiazole)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697187	.	.	.	.	402.5	C24H26N4O2	77.8	426	6.1	30	0	6	11	"InChI=1S/C24H26N4O2/c1(3-11-17-21-25-27-23(29-21)19-13-7-5-8-14-19)2-4-12-18-22-26-28-24(30-22)20-15-9-6-10-16-20/h5-10,13-16H,1-4,11-12,17-18H2"	C1=CC=C(C=C1)C2=NN=C(O2)CCCCCCCCC3=NN=C(O3)C4=CC=CC=C4	RONYCJKHCIGODV-UHFFFAOYSA-N
DG58036	"1-[5-[8-[5-(2-Hydroxynaphthalen-1-yl)-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-ol"	394071	NSC697189; NCIChal_000048; CHEMBL1971859; CCG-36457; NSC-697189; NCI60_034658	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697189	.	.	.	.	534.6	C32H30N4O4	118	713	7.9	40	2	8	11	"InChI=1S/C32H30N4O4/c37-25-19-17-21-11-7-9-13-23(21)29(25)31-35-33-27(39-31)15-5-3-1-2-4-6-16-28-34-36-32(40-28)30-24-14-10-8-12-22(24)18-20-26(30)38/h7-14,17-20,37-38H,1-6,15-16H2"	C1=CC=C2C(=C1)C=CC(=C2C3=NN=C(O3)CCCCCCCCC4=NN=C(O4)C5=C(C=CC6=CC=CC=C65)O)O	LMUIUBHMIJCJHX-UHFFFAOYSA-N
DG58037	methyl N-[2-(cyclohexen-1-yl)ethyl]ethanimidate	394081	NSC697219; CHEMBL2001203; NSC-697219; NCI60_034667	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697219	.	.	.	.	181.27	C11H19NO	21.6	206	2.3	13	0	2	4	"InChI=1S/C11H19NO/c1-10(13-2)12-9-8-11-6-4-3-5-7-11/h6H,3-5,7-9H2,1-2H3"	CC(=NCCC1=CCCCC1)OC	FLALOJZXYMIQAA-UHFFFAOYSA-N
DG58038	2-[Benzhydryl-[2-(cyclohexen-1-yl)ethyl]amino]-3-phenylpropanenitrile	394084	NSC697222; CHEMBL1983920; NSC-697222; NCI60_034670	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697222	.	.	.	.	420.6	C30H32N2	27	592	7.3	32	0	2	9	"InChI=1S/C30H32N2/c31-24-29(23-26-15-7-2-8-16-26)32(22-21-25-13-5-1-6-14-25)30(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h2-4,7-13,15-20,29-30H,1,5-6,14,21-23H2"	C1CCC(=CC1)CCN(C(CC2=CC=CC=C2)C#N)C(C3=CC=CC=C3)C4=CC=CC=C4	DSERYKOZATXRRZ-UHFFFAOYSA-N
DG58039	"2-[1-(4-Methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethanamine"	394096	NSC697234; CHEMBL1978043; NSC-697234; NCI60_034682	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697234	.	.	.	.	316.4	C17H20N2O2S	71.8	466	2.2	22	1	4	4	"InChI=1S/C17H20N2O2S/c1-13-6-8-15(9-7-13)22(20,21)19-12-14(10-11-18)16-4-2-3-5-17(16)19/h2-9,14H,10-12,18H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)N2CC(C3=CC=CC=C32)CCN	ZAZWTDAKZGOQBY-UHFFFAOYSA-N
DG58040	"Benzyl 3-(2-aminoethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride"	394097	MLS002702437; NSC697235; CHEMBL1896619; NSC-697235; SMR001565999	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697235	.	.	.	.	332.8	C18H21ClN2O2	55.6	368	.	23	2	3	5	"InChI=1S/C18H20N2O2.ClH/c19-11-10-15-12-20(17-9-5-4-8-16(15)17)18(21)22-13-14-6-2-1-3-7-14;/h1-9,15H,10-13,19H2;1H"	C1C(C2=CC=CC=C2N1C(=O)OCC3=CC=CC=C3)CCN.Cl	FJRPXPUPXPEXRC-UHFFFAOYSA-N
DG58041	"2-(1H-indol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]ethanamine"	394104	"MLS002702438; SMR001566000; NSC697241; cid_394104; CHEMBL1711135; BDBM91419; 2-(1H-indol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]ethanamine; NSC-697241; NCI60_034689; 2-(1H-indol-3-yl)ethyl-bis(p-anisyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697241	.	.	.	.	400.5	C26H28N2O2	37.5	459	5.5	30	1	3	9	"InChI=1S/C26H28N2O2/c1-29-23-11-7-20(8-12-23)18-28(19-21-9-13-24(30-2)14-10-21)16-15-22-17-27-26-6-4-3-5-25(22)26/h3-14,17,27H,15-16,18-19H2,1-2H3"	COC1=CC=C(C=C1)CN(CCC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)OC	WJVMMRROWJDULS-UHFFFAOYSA-N
DG58042	NSC697250	394113	"(1S,4aR,8aR)-7-[2-[5-[[3-[2-[(1S,4aR,8aR)-1-methyl-3,6-dioxo-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridin-7-yl]ethyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindol-5-yl]methyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethyl]-1-methyl-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridine-3,6-dione; NSC697250; CHEMBL1972521; NSC-697250; NCI60_034698"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697250	.	.	.	.	932.9	C41H46F6N4O10S2	185	1870	4.4	63	0	18	10	"InChI=1S/C41H46F6N4O10S2/c1-22-32-20-48(36(52)14-28(32)16-38(54)60-22)9-7-26-18-50(62(56,57)40(42,43)44)34-5-3-24(12-30(26)34)11-25-4-6-35-31(13-25)27(19-51(35)63(58,59)41(45,46)47)8-10-49-21-33-23(2)61-39(55)17-29(33)15-37(49)53/h3-6,12-13,22-23,26-29,32-33H,7-11,14-21H2,1-2H3/t22-,23-,26 ,27 ,28+,29+,32+,33+/m0/s1"	C[C@H]1[C@H]2CN(C(=O)C[C@@H]2CC(=O)O1)CCC3CN(C4=C3C=C(C=C4)CC5=CC6=C(C=C5)N(CC6CCN7C[C@@H]8[C@@H](OC(=O)C[C@H]8CC7=O)C)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F	ATCFRYKEXJDPKB-SDNVMOERSA-N
DG58043	"1-Tosyl-3-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)pyrrolidine"	394152	"NSC697386; CHEMBL1967236; NSC-697386; NCI60_034724; 1-Tosyl-3-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)pyrrolidine; 3-(3,4-dimethoxyphenyl)-3-isobutyl-1-(p-tolylsulfonyl)pyrrolidine; 3-(3,4-Dimethoxyphenyl)-3-isobutyl-1-((4-methylphenyl)sulfonyl)pyrrolidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697386	.	.	.	.	417.6	C23H31NO4S	64.2	623	5	29	0	5	7	"InChI=1S/C23H31NO4S/c1-17(2)15-23(19-8-11-21(27-4)22(14-19)28-5)12-13-24(16-23)29(25,26)20-9-6-18(3)7-10-20/h6-11,14,17H,12-13,15-16H2,1-5H3"	CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)(CC(C)C)C3=CC(=C(C=C3)OC)OC	VVDPTPKPSDGQJK-UHFFFAOYSA-N
DG58044	NSC697453	394185	"(1S,4R,5R,6R,7R,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-8-(4-methyl-2-oxopent-3-enyl)-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione; NSC697453; CHEMBL1966962; NCI60_034753"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697453	.	.	.	.	474.5	C26H34O8	130	1030	0.8	34	3	8	3	"InChI=1S/C26H34O8/c1-11(2)6-14(27)8-15-19-13(4)20(29)26(32)23-24(5)16(12(3)7-17(28)21(24)30)9-18(34-22(15)31)25(19,23)10-33-26/h6-7,13,15-16,18-21,23,29-30,32H,8-10H2,1-5H3/t13-,15-,16+,18-,19-,20-,21-,23-,24-,25+,26+/m1/s1"	C[C@@H]1[C@@H]2[C@H](C(=O)O[C@H]3[C@@]24CO[C@@]([C@@H]1O)([C@@H]4[C@@]5([C@@H](C3)C(=CC(=O)[C@H]5O)C)C)O)CC(=O)C=C(C)C	FQKZHMCFLCFWHD-NXCIYNMCSA-N
DG58045	"ethyl 2-(butylcarbamoylamino)-1-carbamoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate"	394192	"NSC697461; CHEMBL1969326; NSC-697461; ethyl 2-(butylcarbamoylamino)-1-carbamoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate; NCI60_034758; Ethyl 1-(aminocarbonyl)-2-(((butylamino)carbonyl)amino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697461	.	.	.	.	364.4	C18H28N4O4	115	513	2	26	3	4	8	"InChI=1S/C18H28N4O4/c1-3-5-10-20-18(25)21-14-13(16(19)23)12-9-7-6-8-11-22(12)15(14)17(24)26-4-2/h3-11H2,1-2H3,(H2,19,23)(H2,20,21,25)"	CCCCNC(=O)NC1=C(N2CCCCCC2=C1C(=O)N)C(=O)OCC	RWZGYFQWQFSRTM-UHFFFAOYSA-N
DG58046	"10-Imino-11,15-diphenyl-14-sulfanylidene-2,11,13,15-tetrazatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),8-diene-12,16-dione"	394197	"NSC697466; imino-diphenyl-thioxo-[ ]dione; CHEMBL1974419; NSC-697466; NCI60_034762; 1-Imino-2,5-diphenyl-4-thioxo-4,5,8,9,10,11-hexahydro-1H-2,3a,5,6b-tetraazacyclohepta[a]acenaphthylene-3,6(2H,7H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697466	.	.	.	.	455.5	C25H21N5O2S	105	852	4.1	33	1	4	2	"InChI=1S/C25H21N5O2S/c26-22-19-18-14-8-3-9-15-27(18)21-20(19)30(24(32)28(22)16-10-4-1-5-11-16)25(33)29(23(21)31)17-12-6-2-7-13-17/h1-2,4-7,10-13,26H,3,8-9,14-15H2"	C1CCC2=C3C4=C(N2CC1)C(=O)N(C(=S)N4C(=O)N(C3=N)C5=CC=CC=C5)C6=CC=CC=C6	NXUOKQRZINBXMD-UHFFFAOYSA-N
DG58047	"N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(4-nitrophenyl)methanimine"	394205	NSC697487; Oprea1_857615; CHEMBL1984452; NSC-697487; NCI60_034776	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697487	.	.	.	.	301.4	C17H23N3O2	61.4	399	3	22	0	4	3	"InChI=1S/C17H23N3O2/c21-20(22)16-8-6-14(7-9-16)12-18-13-15-4-3-11-19-10-2-1-5-17(15)19/h6-9,12,15,17H,1-5,10-11,13H2"	C1CCN2CCCC(C2C1)CN=CC3=CC=C(C=C3)[N+](=O)[O-]	VCXCNOFLXXFITD-UHFFFAOYSA-N
DG58048	NSC697493	394211	Methyl 2-(((2-methoxy-1-(4-methoxy-3-(4-(3-methoxy-2-((4-(methoxycarbonyl)benzoyl)amino)-3-oxopropyl)phenoxy)benzyl)-2-oxoethyl)amino)carbonyl)benzoate; NSC697493; CHEMBL1980922; NSC-697493; NCI60_034782; Methyl 2-(((2-methoxy-1-(4-methoxy-3-(4-(3-methoxy-2-((4-(methoxycarbonyl)benzoyl)amino)-3-oxopropyl)phenoxy)benzyl)-2-oxoethyl)amino)carbonyl)benzoate; methyl 2-[[2-methoxy-1-[[4-methoxy-3-[4-[3-methoxy-2-[(4-methoxycarbonylbenzoyl)amino]-3-oxo-propyl]phenoxy]phenyl]methyl]-2-oxo-ethyl]carbamoyl]benzoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697493	.	.	.	.	726.7	C39H38N2O12	182	1240	5.5	53	2	12	19	"InChI=1S/C39H38N2O12/c1-48-32-19-12-24(21-31(39(47)52-5)41-35(43)28-8-6-7-9-29(28)37(45)50-3)22-33(32)53-27-17-10-23(11-18-27)20-30(38(46)51-4)40-34(42)25-13-15-26(16-14-25)36(44)49-2/h6-19,22,30-31H,20-21H2,1-5H3,(H,40,42)(H,41,43)"	COC1=C(C=C(C=C1)CC(C(=O)OC)NC(=O)C2=CC=CC=C2C(=O)OC)OC3=CC=C(C=C3)CC(C(=O)OC)NC(=O)C4=CC=C(C=C4)C(=O)OC	FPXJTMAOSAOVLP-UHFFFAOYSA-N
DG58049	[3-(4-Methoxyphenyl)-2-(p-tolylsulfonylamino)propyl] 4-methylbenzenesulfonate	394212	NSC697494; CHEMBL1968488; NSC-697494; NCI60_034783; [3-(4-methoxyphenyl)-2-(p-tolylsulfonylamino)propyl] 4-methylbenzenesulfonate; 3-(4-Methoxyphenyl)-2-(((4-methylphenyl)sulfonyl)amino)propyl 4-methylbenzenesulfonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697494	.	.	.	.	489.6	C24H27NO6S2	116	780	4.6	33	1	7	10	"InChI=1S/C24H27NO6S2/c1-18-4-12-23(13-5-18)32(26,27)25-21(16-20-8-10-22(30-3)11-9-20)17-31-33(28,29)24-14-6-19(2)7-15-24/h4-15,21,25H,16-17H2,1-3H3"	CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)OC)COS(=O)(=O)C3=CC=C(C=C3)C	GOHNYWAEPAOQDB-UHFFFAOYSA-N
DG58050	Methyl 2-(benzoylamino)-3-(4-(5-(2-(benzoylamino)-3-methoxy-3-oxopropyl)-2-methoxyphenoxy)phenyl)propanoate	394215	NSC697497; CHEMBL1973137; NSC-697497; NCI60_034786; Methyl 2-(benzoylamino)-3-(4-(5-(2-(benzoylamino)-3-methoxy-3-oxopropyl)-2-methoxyphenoxy)phenyl)propanoate; methyl 2-benzamido-3-[4-[5-(2-benzamido-3-methoxy-3-oxo-propyl)-2-methoxy-phenoxy]phenyl]propanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697497	.	.	.	.	610.7	C35H34N2O8	129	955	5.8	45	2	8	15	"InChI=1S/C35H34N2O8/c1-42-30-19-16-24(21-29(35(41)44-3)37-33(39)26-12-8-5-9-13-26)22-31(30)45-27-17-14-23(15-18-27)20-28(34(40)43-2)36-32(38)25-10-6-4-7-11-25/h4-19,22,28-29H,20-21H2,1-3H3,(H,36,38)(H,37,39)"	COC1=C(C=C(C=C1)CC(C(=O)OC)NC(=O)C2=CC=CC=C2)OC3=CC=C(C=C3)CC(C(=O)OC)NC(=O)C4=CC=CC=C4	SQNLQLFWFGUYMB-UHFFFAOYSA-N
DG58051	"Dimethyl 3,4,5,6-tetramethyl-12-oxo-11-oxa-12lambda4-thiatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-9,10-dicarboxylate"	394217	"NSC697504; CHEMBL1977314; NSC-697504; dimethyl tetramethyl(oxo)[ ]dicarboxylate; NCI60_034787; 1,4-Epithio-5,8-epoxynaphthalene-6,7-dicarboxylic acid, 1,4,4a,5,8,8a-hexahydro-1,2,3,4-tetramethyl-, dimethyl ester, 10-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697504	.	.	.	.	366.4	C18H22O6S	98.1	748	-0.5	25	0	7	4	"InChI=1S/C18H22O6S/c1-7-8(2)18(4)12-11(17(7,3)25(18)21)13-9(15(19)22-5)10(14(12)24-13)16(20)23-6/h11-14H,1-6H3"	CC1=C(C2(C3C(C1(S2=O)C)C4C(=C(C3O4)C(=O)OC)C(=O)OC)C)C	GDDJJQVNSNXFHN-UHFFFAOYSA-N
DG58052	Taylor D	394229	"Taylor D; CHEMBL1966219; NSC697529; NSC-697529; NCI60_034795; 8,9-Seco-7alpha-hydroxykaur-8(14)-ene-9,15-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697529	.	.	.	.	318.4	C20H30O3	54.4	559	3.3	23	1	3	0	"InChI=1S/C20H30O3/c1-12-13-6-7-17(22)20(4)9-5-8-19(2,3)16(20)11-15(21)14(10-13)18(12)23/h10,12-13,15-16,21H,5-9,11H2,1-4H3/t12-,13-,15-,16-,20-/m1/s1"	C[C@@H]1[C@@H]2CCC(=O)[C@@]3(CCCC([C@H]3C[C@H](C(=C2)C1=O)O)(C)C)C	ZMAJCXMARYPQHM-DBKKVMMFSA-N
DG58053	Taylor E	394230	"Taylor E; CHEMBL1970863; NSC697530; NSC-697530; NCI60_034796; 8,9-Seco-7alpha,11beta-dihydroxykaura-8(14),16-diene-9,15-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697530	.	.	.	.	332.4	C20H28O4	74.6	630	2.8	24	2	4	0	"InChI=1S/C20H28O4/c1-11-12-8-13(17(11)23)14(21)10-16-19(2,3)6-5-7-20(16,4)18(24)15(22)9-12/h8,12,14-16,21-22H,1,5-7,9-10H2,2-4H3/t12-,14+,15-,16+,20+/m0/s1"	C[C@@]12CCCC([C@H]1C[C@H](C3=C[C@@H](C[C@@H](C2=O)O)C(=C)C3=O)O)(C)C	MVMJWFDNKYVKQT-SBFGLHDKSA-N
DG58054	NSC697535	394231	"N-[1-(chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenzo[e]indol-5-yl]-2-methyl-2-(2-nitrophenyl)propanamide; NSC697535; SCHEMBL8107095; CHEMBL1992602; NSC-697535; NCI60_034797"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697535	.	.	.	.	657.1	C35H33ClN4O7	139	1150	6.5	47	2	7	8	"InChI=1S/C35H33ClN4O7/c1-35(2,23-12-8-9-13-26(23)40(43)44)34(42)38-24-16-27-29(22-11-7-6-10-21(22)24)20(17-36)18-39(27)33(41)25-14-19-15-28(45-3)31(46-4)32(47-5)30(19)37-25/h6-16,20,37H,17-18H2,1-5H3,(H,38,42)"	CC(C)(C1=CC=CC=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C(CN3C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CCl)C6=CC=CC=C62	NMYFNKLLVZCRID-UHFFFAOYSA-N
DG58055	"N-[2-[[[1-(Chloromethyl)-5-amino-1,2-dihydro-3H-benzo[e]indole]-3-yl]carbonyl]-1H-indole-5-yl]-2-benzofurancarboxamide"	394233	"NSC697537; CHEMBL324721; SCHEMBL13498776; NSC-697537; NCI60_034799; N-[2-[[[1-(Chloromethyl)-5-amino-1,2-dihydro-3H-benzo[e]indole]-3-yl]carbonyl]-1H-indole-5-yl]-2-benzofurancarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697537	.	.	.	.	535	C31H23ClN4O3	104	936	6	39	3	4	4	"InChI=1S/C31H23ClN4O3/c32-15-19-16-36(26-14-23(33)21-6-2-3-7-22(21)29(19)26)31(38)25-12-18-11-20(9-10-24(18)35-25)34-30(37)28-13-17-5-1-4-8-27(17)39-28/h1-14,19,35H,15-16,33H2,(H,34,37)"	C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=CC=CC=C6O5)C=C(C7=CC=CC=C72)N)CCl	ARHBFRMLLOEANX-UHFFFAOYSA-N
DG58056	6-Amino-3-chloromethyl-1-((5-(((benzofuran-2-yl)-carbonyl)amino)indol-2-ylcarbonyl)indoline	394235	"NSC697539; CHEMBL158452; NSC-697539; NCI60_034801; 6-Amino-3-chloromethyl-1-((5-(((benzofuran-2-yl)-carbonyl)amino)indol-2-ylcarbonyl)indoline; N-[2-[[[3-(Chloromethyl)-6-amino-2,3-dihydro-1H-indole]-1-yl]carbonyl]-1H-indole-5-yl]benzofuran-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697539	.	.	.	.	484.9	C27H21ClN4O3	104	813	4.7	35	3	4	4	"InChI=1S/C27H21ClN4O3/c28-13-17-14-32(23-12-18(29)5-7-20(17)23)27(34)22-10-16-9-19(6-8-21(16)31-22)30-26(33)25-11-15-3-1-2-4-24(15)35-25/h1-12,17,31H,13-14,29H2,(H,30,33)"	C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=CC=CC=C6O5)C=C(C=C2)N)CCl	DEBRBJYFWAWRNH-UHFFFAOYSA-N
DG58057	Methyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]-bis[3-[(9-methylphenazine-1-carbonyl)amino]propyl]azanium;acetate	394236	NSC697540; CHEMBL1967489; NSC-697540	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697540	.	.	.	.	784.9	C42H44N10O6	214	1250	.	58	2	11	12	"InChI=1S/C40H40N10O4.C2H4O2/c1-25-11-5-15-29-34(25)46-36-27(13-7-17-31(36)44-29)39(51)41-19-9-21-50(4,23-33-38(49(53)54)43-24-48(33)3)22-10-20-42-40(52)28-14-8-18-32-37(28)47-35-26(2)12-6-16-30(35)45-32;1-2(3)4/h5-8,11-18,24H,9-10,19-23H2,1-4H3,(H-,41,42,51,52);1H3,(H,3,4)"	CC1=C2C(=CC=C1)N=C3C=CC=C(C3=N2)C(=O)NCCC[N+](C)(CCCNC(=O)C4=CC=CC5=NC6=CC=CC(=C6N=C54)C)CC7=C(N=CN7C)[N+](=O)[O-].CC(=O)[O-]	WCIQGRVPVRKIBB-UHFFFAOYSA-N
DG58058	"2-Amino-5-[(5-amino-3,4-dicyano-1-phenyl-pyrrol-2-yl)disulfanyl]-1-phenyl-pyrrole-3,4-dicarbonitrile"	394239	"NSC697568; MLS002702442; NCIChal_000050; CHEMBL1715446; CCG-36459; NSC-697568; NCI60_034804; SMR001566004; 1H-Pyrrole-3,4-dicarbonitrile, 2,2'-dithiobis[5-amino-1-phenyl-; 2-amino-5-[(5-amino-3,4-dicyano-1-phenyl-pyrrol-2-yl)disulfanyl]-1-phenyl-pyrrole-3,4-dicarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697568	.	.	.	.	478.6	C24H14N8S2	208	848	4.8	34	2	8	5	"InChI=1S/C24H14N8S2/c25-11-17-19(13-27)23(31(21(17)29)15-7-3-1-4-8-15)33-34-24-20(14-28)18(12-26)22(30)32(24)16-9-5-2-6-10-16/h1-10H,29-30H2"	C1=CC=C(C=C1)N2C(=C(C(=C2SSC3=C(C(=C(N3C4=CC=CC=C4)N)C#N)C#N)C#N)C#N)N	ATAUTMWGYTVCOA-UHFFFAOYSA-N
DG58059	"Ethyl 7-methoxybenzo[d]imidazo[2,1-b]thiazole-2-carboxylate"	394240	"81021-97-8; Ethyl 7-methoxybenzo[d]imidazo[2,1-b]thiazole-2-carboxylate; NSC697569; ethyl 6-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylate; 7-Methoxy-benzo[d]imidazo[2,1-b]thiazole-2-carboxylic acid ethyl ester; Ethyl 7-methoxyimidazo[2,1-b]benzothiazole-2-carboxylate; Ethyl 7-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylate; NCIMech_000137; SCHEMBL2921213; CHEMBL1989649; DTXSID00327865; ethyl 7-methoxyimidazo[2,1-b]-benzthiazole-2-carboxylate; CCG-35237; MFCD10566044; ZINC13219161; AS-6231; NSC-697569; NCI60_034805; ethyl 7-methoxyimidazo[2,1-b]benzthiazole-2-carboxylate; 7-Methoxyimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697569	.	.	.	.	276.31	C13H12N2O3S	81.1	355	3.8	19	0	5	4	"InChI=1S/C13H12N2O3S/c1-3-18-12(16)9-7-15-10-5-4-8(17-2)6-11(10)19-13(15)14-9/h4-7H,3H2,1-2H3"	CCOC(=O)C1=CN2C3=C(C=C(C=C3)OC)SC2=N1	UHKUIINEEJIQHE-UHFFFAOYSA-N
DG58060	2-(4-Chlorophenyl)-5-fluoro-6-(4-methylpiperazin-1-yl)-1h-benzimidazole	394298	"NSC697665; CHEMBL1986297; 2-(4-chlorophenyl)-5-fluoro-6-(4-methylpiperazin-1-yl)-1h-benzimidazole; NSC-697665; NCI60_034843; 2-(4-Chlorophenyl)-5-fluoro-6-(4-methylpiperazino)-1H-benzimidazole; (1H)Benzimidazole, 5-fluoro-2-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-; 1H-Benzimidazole, 2-(4-chlorophenyl)-5-fluoro-6-(4-methyl-1-piperazinyl)-; 2-(4-Chlorophenyl)-5-fluoro-6-(4-methyl-1-piperazinyl)-1H-benzimidazole #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697665	.	.	.	.	344.8	C18H18ClFN4	35.2	423	3.8	24	1	4	2	"InChI=1S/C18H18ClFN4/c1-23-6-8-24(9-7-23)17-11-16-15(10-14(17)20)21-18(22-16)12-2-4-13(19)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,21,22)"	CN1CCN(CC1)C2=C(C=C3C(=C2)N=C(N3)C4=CC=C(C=C4)Cl)F	AHLDICFOVWNWRW-UHFFFAOYSA-N
DG58061	2-tert-Butyl-4-(triphenylphosphoranylidene)oxazole-5(4H)-one	394303	"NSC697670; CHEMBL1985926; NSC-697670; NCI60_034848; 2-tert-butyl-4-(triphenyl-$l^{5}-phosphanylidene)oxazol-5-one; 2-tert-Butyl-4-(triphenylphosphoranylidene)oxazole-5(4H)-one; 2-tert-Butyl-4-(triphenylphosphoranylidene)-1,3-oxazol-5(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697670	.	.	.	.	401.4	C25H24NO2P	38.7	632	5.3	29	0	3	4	"InChI=1S/C25H24NO2P/c1-25(2,3)24-26-22(23(27)28-24)29(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3"	CC(C)(C)C1=NC(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O1	SBDQICIAANDLNV-UHFFFAOYSA-N
DG58062	"Dimethyl 2-[2-(1,3-dithiolan-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene]-1,3-dithiole-4,5-dicarboxylate"	394305	"NSC697672; CHEMBL1985402; NSC-697672; dimethyl 2-[2-(1,3-dithiolan-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene]-1,3-dithiole-4,5-dicarboxylate; NCI60_034850; Dimethyl 2-(5-(1,3-dithiolan-2-ylidene)[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-1,3-dithiole-4,5-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697672	.	.	.	.	498.8	C14H10O4S8	255	765	5.1	26	0	12	4	"InChI=1S/C14H10O4S8/c1-17-7(15)5-6(8(16)18-2)22-11(21-5)12-25-13-14(26-12)24-10(23-13)9-19-3-4-20-9/h3-4H2,1-2H3"	COC(=O)C1=C(SC(=C2SC3=C(S2)SC(=C4SCCS4)S3)S1)C(=O)OC	JKCNPPXKNHULOP-UHFFFAOYSA-N
DG58063	"9,13,15-Tris(furan-2-yl)-17-oxo-8,12,14,16-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),11-diene-1,10-dicarbonitrile"	394327	"NSC697696; CHEMBL1999052; tris(2-furyl)-oxo-[ ]dicarbonitrile; NSC-697696; NCI60_034867; 6,8,10-Tri(2-furyl)-12-oxo-1,2,3,4,5,6,9,10-octahydro[1,3,5]triazino[1',2':1,2]pyrrolo[3,4-c]quinoline-6a,12a(8H,12H)-dicarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697696	.	.	.	.	494.5	C27H22N6O4	144	1170	1.3	37	2	9	3	"InChI=1S/C27H22N6O4/c28-14-26-16-6-1-2-7-17(16)30-21(18-8-3-11-35-18)27(26,15-29)24-32-22(19-9-4-12-36-19)31-23(33(24)25(26)34)20-10-5-13-37-20/h3-5,8-13,21-23,30-31H,1-2,6-7H2"	C1CCC2=C(C1)C3(C(=O)N4C(NC(N=C4C3(C(N2)C5=CC=CO5)C#N)C6=CC=CO6)C7=CC=CO7)C#N	SJCMULPQDSQJCF-UHFFFAOYSA-N
DG58064	"2-[3-imino-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]quinoxalin-1-yl]-N,N-dimethyl-ethanamine"	394343	"NSC697712; CHEMBL1985637; NSC-697712; NCI60_034883; 2-[3-imino-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]quinoxalin-1-yl]-N,N-dimethyl-ethanamine; 2-(3-Imino-6-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]quinoxalin-1-yl)-N,N-dimethylethanamine; N-(2-(3-Imino-6-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]quinoxalin-1-yl)ethyl)-N,N-dimethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697712	.	.	.	.	324.3	C14H15F3N6	72.9	418	1.8	23	1	8	3	"InChI=1S/C14H15F3N6/c1-22(2)5-6-23-13-11(12(18)21-23)19-10-7-8(14(15,16)17)3-4-9(10)20-13/h3-4,7H,5-6H2,1-2H3,(H2,18,21)"	CN(C)CCN1C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=N1)N	PMHIGNGCXWUSEW-UHFFFAOYSA-N
DG58065	3-[4-(4-Nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile	394344	"NSC697714; 3-[4-(4-nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile; CHEMBL91286; NSC-697714; NCI60_034885; 3-[4-(4-Nitrophenyl)piperazino]quinoxaline-2-carbonitrile; 2-Quinoxalinecarbonitrile, 3-[4-(4-nitrophenyl)-1-piperazinyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697714	.	.	.	.	360.4	C19H16N6O2	102	571	3.1	27	0	7	2	"InChI=1S/C19H16N6O2/c20-13-18-19(22-17-4-2-1-3-16(17)21-18)24-11-9-23(10-12-24)14-5-7-15(8-6-14)25(26)27/h1-8H,9-12H2"	C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4N=C3C#N	PAVKONCGUPJJRO-UHFFFAOYSA-N
DG58066	"6,7-Dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile"	394345	"NSC697715; 6,7-dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile; CHEMBL467844; NSC-697715; NCI60_034886; 1,4-Dioxido-6,7-dimethyl-3-(4-(4-nitrophenyl)-1-piperazinil)-2-quinoxalinacarbonitrilo; 2-Cyano-6,7-dimethyl-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide; 4-Hydroxy-3-(4-(4-(hydroxy(oxido)amino)phenyl)-1-piperazinyl)-6,7-dimethyl-1,2-dihydro-4lambda~5~-quinoxaline-2-carbonitrile 1-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697715	.	.	.	.	420.4	C21H20N6O4	123	800	2.5	31	0	8	2	"InChI=1S/C21H20N6O4/c1-14-11-18-19(12-15(14)2)26(29)21(20(13-22)25(18)28)24-9-7-23(8-10-24)16-3-5-17(6-4-16)27(30)31/h3-6,11-12H,7-10H2,1-2H3"	CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C#N)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]	CYZVABSONGPERE-UHFFFAOYSA-N
DG58067	"2,5-Bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione"	394347	"RH-1; 221635-42-3; RH 1; RH1; NSC697726; UNII-IJ5CEP760Y; IJ5CEP760Y; 2,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione; MLS002702941; NSC-697726; 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)-3-(hydroxymethyl)-6-methyl-; 2,5-di(aziridin-1-yl)-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione; NCIMech_000177; SCHEMBL345136; CHEMBL1235676; CCG-35238; DB04090; HY-13741; NCI60_034889; SMR001566756; CS-0007766; Q27094938; 2,4-dione,2,5-bis(1-aziridinyl)-3-(hydroxymethyl)-6-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697726	.	.	.	.	234.25	C12H14N2O3	60.4	482	0.1	17	1	5	3	"InChI=1S/C12H14N2O3/c1-7-9(13-2-3-13)12(17)8(6-15)10(11(7)16)14-4-5-14/h15H,2-6H2,1H3"	CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3	JKDLOGLNPDVUCX-UHFFFAOYSA-N
DG58068	1-(3-C-ethynylpentofuranosyl)-4-hydroxypyrimidin-2(1H)-one	394348	NSC697730; STL434863; AKOS037480527; NSC-697730; NCI60_034890; 1-(3-C-ethynylpentofuranosyl)-4-hydroxypyrimidin-2(1H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697730	.	.	.	.	268.22	C11H12N2O6	119	495	-2.4	19	4	6	3	"InChI=1S/C11H12N2O6/c1-2-11(18)6(5-14)19-9(8(11)16)13-4-3-7(15)12-10(13)17/h1,3-4,6,8-9,14,16,18H,5H2,(H,12,15,17)"	C#CC1(C(OC(C1O)N2C=CC(=O)NC2=O)CO)O	KNGMLOFYXFWJLZ-UHFFFAOYSA-N
DG58069	"Ethyl 5-methyl-7-(methylthio)-4,5-dihydro-3H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate"	394377	"NSC697777; CHEMBL1976790; NSC-697777; NCI60_034915; ethyl methyl(methylsulfanyl)[ ]carboxylate; Ethyl 5-methyl-7-(methylthio)-4,5-dihydro-3H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697777	.	.	.	.	310.4	C12H14N4O2S2	121	387	3.3	20	1	8	4	"InChI=1S/C12H14N4O2S2/c1-4-18-11(17)8-7-6-9(16(2)5-13-7)14-12(19-3)15-10(6)20-8/h13H,4-5H2,1-3H3"	CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CN2)C	JBKSJJDWSINIFT-UHFFFAOYSA-N
DG58070	"7-Chloro-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),4,6,11,13,15-heptaen-9-ol"	394382	"NSC697782; CHEMBL1982792; NSC-697782; NCI60_034920; 4-Chloro-2-(methylthio)-5H-pyrimido[5',4':5,6][1,3]thiazino[3,2-a]benzimidazol-5-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697782	.	.	.	.	336.8	C13H9ClN4OS2	114	406	3.4	21	1	6	1	"InChI=1S/C13H9ClN4OS2/c1-20-12-16-9(14)8-10(17-12)21-13-15-6-4-2-3-5-7(6)18(13)11(8)19/h2-5,11,19H,1H3"	CSC1=NC2=C(C(N3C4=CC=CC=C4N=C3S2)O)C(=N1)Cl	JBGVBUGXIHKCBF-UHFFFAOYSA-N
DG58071	NSC697783	394383	"7-(Dimethylamino)-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol; NSC697783; CHEMBL2002677; dimethylamino(methylsulfanyl)[ ]ol; NSC-697783; NCI60_034921; 4-(Dimethylamino)-2-(methylthio)-5H-pyrimido[5',4':5,6][1,3]thiazino[3,2-a]benzimidazol-5-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697783	.	.	.	.	345.4	C15H15N5OS2	118	442	2.9	23	1	7	2	"InChI=1S/C15H15N5OS2/c1-19(2)11-10-12(18-14(17-11)22-3)23-15-16-8-6-4-5-7-9(8)20(15)13(10)21/h4-7,13,21H,1-3H3"	CN(C)C1=C2C(N3C4=CC=CC=C4N=C3SC2=NC(=N1)SC)O	QSYGKQSEIRIVLK-UHFFFAOYSA-N
DG58072	"4-Chloro-2-(methylsulfanyl)-9,10-dihydro-5h-[1,4]dioxino[2,3-f]pyrimido[5',4':5,6][1,3]thiazino[3,2-a]benzimidazol-5-ol"	394384	"NSC697784; Neuro_000494; Oprea1_839054; CHEMBL1965735; NSC-697784; 4-chloro-2-(methylsulfanyl)-9,10-dihydro-5h-[1,4]dioxino[2,3-f]pyrimido[5',4':5,6][1,3]thiazino[3,2-a]benzimidazol-5-ol; NCI60_034922; AN-584/43492341; 4-Chloro-2-(methylthio)-9,10-dihydro-5H-[1,4]dioxino[2,3-f]pyrimido[5',4':5,6][1,3]thiazino[3,2-a]benzimidazol-5-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697784	.	.	.	.	394.9	C15H11ClN4O3S2	133	523	3.1	25	1	8	1	"InChI=1S/C15H11ClN4O3S2/c1-24-14-18-11(16)10-12(19-14)25-15-17-6-4-8-9(23-3-2-22-8)5-7(6)20(15)13(10)21/h4-5,13,21H,2-3H2,1H3"	CSC1=NC2=C(C(N3C4=CC5=C(C=C4N=C3S2)OCCO5)O)C(=N1)Cl	MXLUJTLTXGBJCS-UHFFFAOYSA-N
DG58073	NSC697785	394385	"7-Chloro-13,14-dimethoxy-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),4,6,11,13,15-heptaen-9-ol; NSC697785; CHEMBL2003594; chloro-dimethoxy-methylsulfanyl-[ ]ol; NSC-697785; NCI60_034923; 4-Chloro-8,9-dimethoxy-2-(methylthio)-5H-pyrimido[5',4':5,6][1,3]thiazino[3,2-a]benzimidazol-5-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697785	.	.	.	.	396.9	C15H13ClN4O3S2	133	496	3.3	25	1	8	3	"InChI=1S/C15H13ClN4O3S2/c1-22-8-4-6-7(5-9(8)23-2)20-13(21)10-11(16)18-14(24-3)19-12(10)25-15(20)17-6/h4-5,13,21H,1-3H3"	COC1=C(C=C2C(=C1)N=C3N2C(C4=C(S3)N=C(N=C4Cl)SC)O)OC	CIMWSANVOPMHKO-UHFFFAOYSA-N
DG58074	NSC697786	394386	"18-Chloro-16-methylsulfanyl-5,7-dioxa-13-thia-1,11,15,17-tetrazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-2,4(8),9,11,14(19),15,17-heptaen-20-ol; NSC697786; CHEMBL1970603; NSC-697786; NCI60_034924; 10-Chloro-8-(methylthio)-11H-[1,3]dioxolo[4,5-f]pyrimido[5',4':5,6][1,3]thiazino[3,2-a]benzimidazol-11-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697786	.	.	.	.	380.8	C14H9ClN4O3S2	133	509	3.2	24	1	8	1	"InChI=1S/C14H9ClN4O3S2/c1-23-13-17-10(15)9-11(18-13)24-14-16-5-2-7-8(22-4-21-7)3-6(5)19(14)12(9)20/h2-3,12,20H,4H2,1H3"	CSC1=NC2=C(C(N3C4=CC5=C(C=C4N=C3S2)OCO5)O)C(=N1)Cl	RKJDHQCMJGIWCL-UHFFFAOYSA-N
DG58075	"Ethyl 5-amino-2-methylsulfanyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxylate"	394396	"NSC697796; CHEMBL1983867; NSC-697796; NCI60_034934; Ethyl 5-amino-2-(methylthio)-4-(1-piperidinyl)thieno[2,3-d]pyrimidine-6-carboxylate; ethyl 5-amino-2-methylsulfanyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697796	.	.	.	.	352.5	C15H20N4O2S2	135	422	4.1	23	1	8	5	"InChI=1S/C15H20N4O2S2/c1-3-21-14(20)11-10(16)9-12(19-7-5-4-6-8-19)17-15(22-2)18-13(9)23-11/h3-8,16H2,1-2H3"	CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)N3CCCCC3)N	RBACGIUXMJCBBM-UHFFFAOYSA-N
DG58076	Tizoxanide	394397	"Tizoxanide; 173903-47-4; 2-hydroxy-N-(5-nitrothiazol-2-yl)benzamide; Desacetyl-nitazoxanide; Benzamide, 2-hydroxy-N-(5-nitro-2-thiazolyl)-; NSC-697856; UNII-15KFG88UOJ; 2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide; 15KFG88UOJ; Nitazoxanide related compound b; Tizoxanide-d4; NSC697856; TIZ; C10H7N3O4S; NTZdes; 2-Hydroxy-N-(5-nitro-2-thiazolyl)benzamide; Tizoxanide - 98%; 1246817-56-0; CHEMBL1545; SCHEMBL375440; DTXSID40169680; CHEBI:169666; BCP08678; ZINC5924265; 8987AA; BDBM50557729; MFCD07484970; s5394; AKOS002765892; CCG-267097; CS-3893; SB34253; N-(5-nitro-2-thiazolyl) salicyl-amide; NCGC00388427-01; NCGC00388427-02; AS-10635; BT165461; HY-12687; NCI60_034936; DB-064924; FT-0675256; 2-Hydroxy-N-(5-nitro-2-thiazolyl)-benzamide; 2-Hydroxy-N-(5-nitro-thiazol-2-yl)-benzamide; A24812; N10827; J-010949; Q6587134; (2-Hydroxyphenyl)-N-(5-nitro-(1,3-thiazol-2-yl))carboxamide; NSC-697856; NSC697856; NSC697856;Desacetyl-nitazoxanide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697856	.	.	.	.	265.25	C10H7N3O4S	136	336	3.2	18	2	6	2	"InChI=1S/C10H7N3O4S/c14-7-4-2-1-3-6(7)9(15)12-10-11-5-8(18-10)13(16)17/h1-5,14H,(H,11,12,15)"	C1=CC=C(C(=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-])O	FDTZUTSGGSRHQF-UHFFFAOYSA-N
DG58077	5-(1-adamantyl)-2-benzyloxy-1H-benzimidazole	394400	NSC697859; CHEMBL1982356; NSC-697859; NCI60_034937; 5-(1-adamantyl)-2-benzyloxy-1H-benzimidazole; 5-(1-Adamantyl)-2-(benzyloxy)-1H-benzimidazole; 5-(1-Adamantyl)-1H-benzimidazol-2-yl benzyl ether	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697859	.	.	.	.	358.5	C24H26N2O	37.9	501	6.7	27	1	2	4	"InChI=1S/C24H26N2O/c1-2-4-16(5-3-1)15-27-23-25-21-7-6-20(11-22(21)26-23)24-12-17-8-18(13-24)10-19(9-17)14-24/h1-7,11,17-19H,8-10,12-15H2,(H,25,26)"	C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)N=C(N5)OCC6=CC=CC=C6	HGOSHFAUMBCDIS-UHFFFAOYSA-N
DG58078	5-(1-Adamantyl)-2-(2-chlorophenyl)-1H-benzimidazole	394402	NSC697861; CHEMBL1976782; NSC-697861; NCI60_034939; 5-(1-Adamantyl)-2-(2-chlorophenyl)-1H-benzimidazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697861	.	.	.	.	362.9	C23H23ClN2	28.7	507	7.2	26	1	1	2	"InChI=1S/C23H23ClN2/c24-19-4-2-1-3-18(19)22-25-20-6-5-17(10-21(20)26-22)23-11-14-7-15(12-23)9-16(8-14)13-23/h1-6,10,14-16H,7-9,11-13H2,(H,25,26)"	C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)N=C(N5)C6=CC=CC=C6Cl	FZJWQYMWEVJTFT-UHFFFAOYSA-N
DG58079	5-(1-Adamantyl)-2-(4-chlorophenyl)-1H-benzimidazole	394403	NSC697862; CHEMBL1986048; ZINC5974172; AKOS025129003; NSC-697862; NCI60_034940; 5-(1-Adamantyl)-2-(4-chlorophenyl)-1H-benzimidazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697862	.	.	.	.	362.9	C23H23ClN2	28.7	499	7.3	26	1	1	2	"InChI=1S/C23H23ClN2/c24-19-4-1-17(2-5-19)22-25-20-6-3-18(10-21(20)26-22)23-11-14-7-15(12-23)9-16(8-14)13-23/h1-6,10,14-16H,7-9,11-13H2,(H,25,26)"	C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)Cl	QXFPTCDQUPDGJJ-UHFFFAOYSA-N
DG58080	"4-[4-(4-Amino-1,2,5-oxadiazol-3-yl)-2-oxido-1,2,5-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine"	394430	"4-[4-(4-amino-1,2,5-oxadiazol-3-yl)-2-oxido-1,2,5-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine; 296244-55-8; NSC697882; 4-[4-(4-amino-1,2,5-oxadiazol-3-yl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-1,2,5-oxadiazol-3-amine; 3,4-Bis(aminofurazano)furoxan; CHEMBL1990142; SCHEMBL18061340; HMS1648P01; ALBB-006676; ZINC1860195; bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazol-2-ium-2-olate; MFCD00443801; STK504058; 3,4-bis(4-aminofurazan-3-yl)furoxan; AKOS000547976; NSC-697882; LS-02373; NCI60_034960; SR-01000528104; SR-01000528104-1; 3,4-Bis(4-imino-4,5-dihydro-1,2,5-oxadiazol-3-yl)-1,2.lambda.~5~,5-oxadiazol-2-ol; 4-[4-(4-imino-1,2,5-oxadiazol-3-yl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-1,2,5-oxadiazol-3-imine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697882	.	.	.	.	252.15	C6H4N8O4	181	309	-1.7	18	2	11	2	"InChI=1S/C6H4N8O4/c7-5-2(9-16-12-5)1-4(14(15)18-11-1)3-6(8)13-17-10-3/h(H2,7,12)(H2,8,13)"	C1(=NO[N+](=C1C2=NON=C2N)[O-])C3=NON=C3N	QWYCOYVXFGGHNW-UHFFFAOYSA-N
DG58081	"3,5-Bis(4-imino-4,5-dihydro-1,2,5-oxadiazol-3-yl)-1,2,4lambda~5~-oxadiazol-4-ol"	394432	"NSC697884; CHEMBL2006920; NSC-697884; NCI60_034962; 3,5-Bis(4-imino-4,5-dihydro-1,2,5-oxadiazol-3-yl)-1,2,4.lambda.~5~-oxadiazol-4-ol; 4-[5-(4-imino-1,2,5-oxadiazol-3-yl)-4-oxido-1,2,4-oxadiazol-4-ium-3-yl]-1,2,5-oxadiazol-3-imine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697884	.	.	.	.	252.15	C6H4N8O4	181	309	-1.8	18	2	11	2	"InChI=1S/C6H4N8O4/c7-3-1(9-17-11-3)5-13-16-6(14(5)15)2-4(8)12-18-10-2/h(H2,7,11)(H2,8,12)"	C1(=NON=C1N)C2=NOC(=[N+]2[O-])C3=NON=C3N	OGJKQPAPWIJCOB-UHFFFAOYSA-N
DG58082	2-[(4-Methylphenyl)sulfonyl]-5-nitrofuran	394449	"NSC697923; 343351-67-7; 2-[(4-methylphenyl)sulfonyl]-5-nitrofuran; NSC 697923; NSC-697923; MLS002702444; 2-(4-methylphenyl)sulfonyl-5-nitrofuran; Furan, 2-[(4-methylphenyl)sulfonyl]-5-nitro-; 2-Nitro-5-(toluene-4-sulfonyl)-furan; SMR001566006; 2-Nitro-5-tosylfuran; 2-nitro-5-tosyl-furan; NCIMech_000297; Oprea1_719610; cid_394449; CHEMBL1698008; SCHEMBL15200927; SCHEMBL15213579; BDBM83278; 2-Nitro-5-p-toluenesulfonylfuran; 2-nitro-5-(p-tolylsulfonyl)furan; HMS3653E11; ZINC1860216; 2600AH; CCG-35232; s7142; AKOS024458379; SB60871; NCGC00379215-03; BS-16607; HY-13811; NCI60_034979; 2-(4-methylphenyl)sulfonyl-5-nitro-furan; AM20210010; CS-0007919; SW220082-1; J3.623.063K; A14068; D83608; Furan,2-[(4-methylphenyl)sulfonyl]-5-nitro-; A912507; J-019560; Q27463656; Hydroxy(5-((4-methylphenyl)sulfonyl)-2-furyl)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697923	.	.	.	.	267.26	C11H9NO5S	102	402	2.6	18	0	5	2	"InChI=1S/C11H9NO5S/c1-8-2-4-9(5-3-8)18(15,16)11-7-6-10(17-11)12(13)14/h2-7H,1H3"	CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)[N+](=O)[O-]	GAUHIPWCDXOLCZ-UHFFFAOYSA-N
DG58083	"4-Methoxy-8-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine"	394453	"NSC697927; 4-Methoxy-8-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine; CHEMBL1989653; NSC-697927; NCI60_034983; 4-methoxy-8-methyl-7-phenyl-pyrazolo[5,1-c][1,2,4]triazine; Methyl 8-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazin-4-yl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697927	.	.	.	.	240.26	C13H12N4O	52.3	282	1.6	18	0	4	2	"InChI=1S/C13H12N4O/c1-9-12(10-6-4-3-5-7-10)16-17-11(18-2)8-14-15-13(9)17/h3-8H,1-2H3"	CC1=C2N=NC=C(N2N=C1C3=CC=CC=C3)OC	DYDICCJCIZKTSS-UHFFFAOYSA-N
DG58084	"7-Phenyl-6,7-diazahexacyclo[11.3.2.01,11.02,10.05,9.012,14]octadeca-3,5,15,17-tetraene"	394455	"NSC697929; CHEMBL2006054; NSC-697929; NCI60_034985; 1H-5b,8-Ethenocyclopropa[3',4']benzo[1',2':3,4]cyclobut[1,2-e]indazole, 2,5a,7a,8,8a,8b,8c,8d-octahydro-2-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697929	.	.	.	.	312.4	C22H20N2	15.6	702	3.9	24	0	2	1	"InChI=1S/C22H20N2/c1-2-4-13(5-3-1)24-12-16-18(23-24)7-6-17-20(16)21-19-14-8-10-22(17,21)11-9-15(14)19/h1-11,14-17,19-21H,12H2"	C1C2C3C(C=CC2=NN1C4=CC=CC=C4)C56C3C7C(C7C=C5)C=C6	YGQKBZWUJKLCJZ-UHFFFAOYSA-N
DG58085	Methyl 2-(3-((2-((ethylthio)methyl)benzoyl)(2-(1H-indol-3-yl)ethyl)amino)-3-oxopropyl)acrylate	394458	NSC697932; CHEMBL1974364; NSC-697932; NCI60_034988; Methyl 2-(3-((2-((ethylthio)methyl)benzoyl)(2-(1H-indol-3-yl)ethyl)amino)-3-oxopropyl)acrylate; methyl 5-[[2-(ethylsulfanylmethyl)benzoyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-methylene-5-oxo-pentanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697932	.	.	.	.	478.6	C27H30N2O4S	105	727	4.7	34	1	5	12	"InChI=1S/C27H30N2O4S/c1-4-34-18-21-9-5-6-11-23(21)26(31)29(25(30)14-13-19(2)27(32)33-3)16-15-20-17-28-24-12-8-7-10-22(20)24/h5-12,17,28H,2,4,13-16,18H2,1,3H3"	CCSCC1=CC=CC=C1C(=O)N(CCC2=CNC3=CC=CC=C32)C(=O)CCC(=C)C(=O)OC	SXOFCISOFVBKOC-UHFFFAOYSA-N
DG58086	Methyl 5-(3-methoxycarbonylbut-3-enoylamino)furan-2-carboxylate	394465	NSC697938; CHEMBL1990532; methyl 5-(3-methoxycarbonylbut-3-enoylamino)furan-2-carboxylate; NSC-697938; NCI60_034994; Methyl 5-((3-(methoxycarbonyl)-3-butenoyl)amino)-2-furoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697938	.	.	.	.	267.23	C12H13NO6	94.8	392	1.1	19	1	6	7	"InChI=1S/C12H13NO6/c1-7(11(15)17-2)6-9(14)13-10-5-4-8(19-10)12(16)18-3/h4-5H,1,6H2,2-3H3,(H,13,14)"	COC(=O)C1=CC=C(O1)NC(=O)CC(=C)C(=O)OC	KSEUQGXXYVDGIV-UHFFFAOYSA-N
DG58087	"Methyl 12-cyclohexyl-8-oxo-1-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-11-carboxylate"	394468	"NSC697941; CHEMBL1983572; NSC-697941; NCI60_034997; methyl cyclohexyl-oxo-phenyl-[ ]carboxylate; 5H-Benzocyclohepten-5,8-imine-6-carboxylic acid, 10-cyclohexyl-8,9-dihydro-9-oxo-5-phenyl-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697941	.	.	.	.	387.5	C25H25NO3	46.6	688	4.8	29	0	4	4	"InChI=1S/C25H25NO3/c1-29-24(28)21-16-22-23(27)19-14-8-9-15-20(19)25(21,17-10-4-2-5-11-17)26(22)18-12-6-3-7-13-18/h2,4-5,8-11,14-16,18,22H,3,6-7,12-13H2,1H3"	COC(=O)C1=CC2C(=O)C3=CC=CC=C3C1(N2C4CCCCC4)C5=CC=CC=C5	ZKADLOXAHFISDD-UHFFFAOYSA-N
DG58088	"Dimethyl 12-cyclohexyl-8-oxo-1-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-10,11-dicarboxylate"	394469	"NSC697942; CHEMBL1999175; NSC-697942; NCI60_034998; dimethyl cyclohexyl-oxo-phenyl-[ ]dicarboxylate; 5H-Benzocyclohepten-5,8-imine-6,7-dicarboxylic acid, 10-cyclohexyl-8,9-dihydro-9-oxo-5-phenyl-, dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697942	.	.	.	.	445.5	C27H27NO5	72.9	837	4.4	33	0	6	6	"InChI=1S/C27H27NO5/c1-32-25(30)21-22(26(31)33-2)27(17-11-5-3-6-12-17)20-16-10-9-15-19(20)24(29)23(21)28(27)18-13-7-4-8-14-18/h3,5-6,9-12,15-16,18,23H,4,7-8,13-14H2,1-2H3"	COC(=O)C1=C(C2(C3=CC=CC=C3C(=O)C1N2C4CCCCC4)C5=CC=CC=C5)C(=O)OC	VXLDKAIUAGICGO-UHFFFAOYSA-N
DG58089	"Dimethyl 2-[2-(benzenesulfonyl)buta-2,3-dienyl]-2-(2-bromoallyl)propanedioate"	394473	"NSC697946; CHEMBL1988414; NSC-697946; NCI60_035002; Malonic acid,3-butadienyl]-, dimethyl ester; Propanedioic acid,3-butadienyl]-, dimethyl ester; Dimethyl 2-(2-bromo-2-propenyl)-2-(2-(phenylsulfonyl)-2,3-butadienyl)malonate; dimethyl 2-[2-(benzenesulfonyl)buta-2,3-dienyl]-2-(2-bromoallyl)propanedioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697946	.	.	.	.	443.3	C18H19BrO6S	95.1	691	2.9	26	0	6	10	"InChI=1S/C18H19BrO6S/c1-5-14(26(22,23)15-9-7-6-8-10-15)12-18(11-13(2)19,16(20)24-3)17(21)25-4/h6-10H,1-2,11-12H2,3-4H3"	COC(=O)C(CC(=C)Br)(CC(=C=C)S(=O)(=O)C1=CC=CC=C1)C(=O)OC	CSMSVCUWBXKHSL-UHFFFAOYSA-N
DG58090	"Cu(II)2(3,5-Diisopropylacetyl salicylate).2H2O"	394476	"NSC697989; NSC-697989; NCI60_035005; Cu(II)2(3,5-Diisopropylacetyl salicylate).2H2O"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697989	.	.	.	.	1180.3	C60H76Cu2O16	266	1600	.	78	0	16	20	"InChI=1S/4C15H20O4.2Cu/c4*1-8(2)11-6-12(9(3)4)14(19-10(5)16)13(7-11)15(17)18;;/h4*6-9H,1-5H3,(H,17,18);;/q;;;;2*+2/p-4"	CC(C)C1=CC(=C(C(=C1)C(=O)[O-])OC(=O)C)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])OC(=O)C)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])OC(=O)C)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])OC(=O)C)C(C)C.[Cu+2].[Cu+2]	ZAMPHWUWZXELAZ-UHFFFAOYSA-J
DG58091	3-[4-(Carboxymethyl)anilino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid	394500	NSC698045; CHEMBL2007405; 3-[4-(carboxymethyl)anilino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid; NSC-698045; NCI60_035028; 3-(4-(Carboxymethyl)anilino)-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698045	.	.	.	.	391.3	C18H12F3N3O4	112	581	3.8	28	3	10	5	"InChI=1S/C18H12F3N3O4/c19-18(20,21)10-3-6-12-13(8-10)24-16(15(23-12)17(27)28)22-11-4-1-9(2-5-11)7-14(25)26/h1-6,8H,7H2,(H,22,24)(H,25,26)(H,27,28)"	C1=CC(=CC=C1CC(=O)O)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O	AZOAVMLDDAOPKA-UHFFFAOYSA-N
DG58092	Ethyl 3-(4-(2-ethoxy-2-oxoethyl)anilino)-2-quinoxalinecarboxylate	394501	NSC698046; CHEMBL1972286; NSC-698046; NCI60_035029; Ethyl 3-(4-(2-ethoxy-2-oxoethyl)anilino)-2-quinoxalinecarboxylate; ethyl 3-[4-(2-ethoxy-2-oxo-ethyl)anilino]quinoxaline-2-carboxylate; [4-[[2-(Ethoxycarbonyl)quinoxaline-3-yl]amino]phenyl]acetic acid ethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698046	.	.	.	.	379.4	C21H21N3O4	90.4	522	4.3	28	1	7	9	"InChI=1S/C21H21N3O4/c1-3-27-18(25)13-14-9-11-15(12-10-14)22-20-19(21(26)28-4-2)23-16-7-5-6-8-17(16)24-20/h5-12H,3-4,13H2,1-2H3,(H,22,24)"	CCOC(=O)CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C(=O)OCC	OKUQMDYDXQWSQY-UHFFFAOYSA-N
DG58093	"N-((2,3-Dimethoxy-6-quinoxalinyl)methyl)-3,4,5-trimethoxy-N-(2-propynyl)aniline"	394503	"NSC698048; CHEMBL1998226; NSC-698048; NCI60_035031; N-((2,3-Dimethoxy-6-quinoxalinyl)methyl)-3,4,5-trimethoxy-N-(2-propynyl)aniline; N-((2,3-Dimethoxy-6-quinoxalinyl)methyl)-N-(2-propynyl)-N-(3,4,5-trimethoxyphenyl)amine; N-[(2,3-dimethoxyquinoxalin-6-yl)methyl]-3,4,5-trimethoxy-N-prop-2-ynyl-aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698048	.	.	.	.	423.5	C23H25N3O5	75.2	585	3.5	31	0	8	9	"InChI=1S/C23H25N3O5/c1-7-10-26(16-12-19(27-2)21(29-4)20(13-16)28-3)14-15-8-9-17-18(11-15)25-23(31-6)22(24-17)30-5/h1,8-9,11-13H,10,14H2,2-6H3"	COC1=CC(=CC(=C1OC)OC)N(CC#C)CC2=CC3=C(C=C2)N=C(C(=N3)OC)OC	AUBHNBXSNJMTMM-UHFFFAOYSA-N
DG58094	3-Butyl-4-(dimethylamino)-6-(1-methyl-1H-indol-3-yl)-2-oxo-2H-pyran-5-yl acetate	394531	NSC698076; CHEMBL1985113; NSC-698076; 3-Butyl-4-(dimethylamino)-6-(1-methyl-1H-indol-3-yl)-2-oxo-2H-pyran-5-yl acetate; NCI60_035059; [5-butyl-4-(dimethylamino)-2-(1-methylindol-3-yl)-6-oxo-pyran-3-yl] acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698076	.	.	.	.	382.5	C22H26N2O4	60.8	695	3.7	28	0	5	7	"InChI=1S/C22H26N2O4/c1-6-7-10-16-19(23(3)4)21(27-14(2)25)20(28-22(16)26)17-13-24(5)18-12-9-8-11-15(17)18/h8-9,11-13H,6-7,10H2,1-5H3"	CCCCC1=C(C(=C(OC1=O)C2=CN(C3=CC=CC=C32)C)OC(=O)C)N(C)C	XWGSXULMWZLITF-UHFFFAOYSA-N
DG58095	"2-Butyl-1-(morpholine-4-carbonyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one"	394533	"NSC698078; CHEMBL1978971; 2-butyl-1-(morpholine-4-carbonyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one; NSC-698078; NCI60_035061; 2-Butyl-3-(4-morpholinylcarbonyl)-5,8-dioxaspiro[3.4]oct-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698078	.	.	.	.	295.33	C15H21NO5	65.099	473	0.5	21	0	5	4	"InChI=1S/C15H21NO5/c1-2-3-4-11-12(14(18)16-5-7-19-8-6-16)15(13(11)17)20-9-10-21-15/h2-10H2,1H3"	CCCCC1=C(C2(C1=O)OCCO2)C(=O)N3CCOCC3	ITCULHQQCDRXIW-UHFFFAOYSA-N
DG58096	"3,4-Bis(diethylamino)cyclobut-3-ene-1,2-dione"	394542	"NSC698087; 3,4-bis(diethylamino)cyclobut-3-ene-1,2-dione; CHEMBL1993107; NSC-698087; NCI60_035070; 3,4-Bis(diethylamino)-3-cyclobutene-1,2-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698087	.	.	.	.	224.3	C12H20N2O2	40.6	294	1.7	16	0	4	6	"InChI=1S/C12H20N2O2/c1-5-13(6-2)9-10(12(16)11(9)15)14(7-3)8-4/h5-8H2,1-4H3"	CCN(CC)C1=C(C(=O)C1=O)N(CC)CC	YFAGDBJCYIUVGA-UHFFFAOYSA-N
DG58097	"2,2':3',2''-Ternaphthalene-1,1',1'',4,4',4''-hexone"	394543	"NSC698088; 2,2':3',2''-Ternaphthalene-1,1',1'',4,4',4''-hexone; [2,2':3',2''-Ternaphthalene]-1,1',1'',4,4',4''-hexone; 125520-26-5; CHEMBL1972614; DTXSID40327869; NSC-698088; NCI60_035071; 2,3-bis(1,4-dioxo-2-naphthyl)naphthalene-1,4-dione; 2,2':3',2''-Ternaphthyl-1,1',1'',4,4',4''-hexone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698088	.	.	.	.	470.4	C30H14O6	102	1100	3.8	36	0	6	2	InChI=1S/C30H14O6/c31-23-13-21(27(33)17-9-3-1-7-15(17)23)25-26(30(36)20-12-6-5-11-19(20)29(25)35)22-14-24(32)16-8-2-4-10-18(16)28(22)34/h1-14H	C1=CC=C2C(=C1)C(=O)C=C(C2=O)C3=C(C(=O)C4=CC=CC=C4C3=O)C5=CC(=O)C6=CC=CC=C6C5=O	JIVXUZHUGUHWIF-UHFFFAOYSA-N
DG58098	"2,3-Bis(4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-5,6-dimethyl-1,4-benzoquinone"	394545	"NSC698090; CHEMBL2000178; NSC-698090; NCI60_035073; 2,3-bis(4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-5,6-dimethyl-1,4-benzoquinone; [1,1':2',1''-Ter-1,4-cyclohexadiene]-3,3',3'',6,6',6''-hexone, 4,4',4'',5,5',5''-hexamethyl-; 5,5'-(3,6-Dioxo-4,5-dimethyl-1,4-cyclohexadiene-1,2-diyl)bis(2,3-dimethyl-2,5-cyclohexadiene-1,4-dione)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698090	.	.	.	.	404.4	C24H20O6	102	1120	1.8	30	0	6	2	"InChI=1S/C24H20O6/c1-9-11(3)21(27)15(7-17(9)25)19-20(24(30)14(6)13(5)23(19)29)16-8-18(26)10(2)12(4)22(16)28/h7-8H,1-6H3"	CC1=C(C(=O)C(=CC1=O)C2=C(C(=O)C(=C(C2=O)C)C)C3=CC(=O)C(=C(C3=O)C)C)C	PNHCYDDDFFGQKW-UHFFFAOYSA-N
DG58099	"2,3-Bis(4,5-dimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)naphthoquinone"	394547	"NSC698092; CHEMBL1978161; NSC-698092; NCI60_035075; 1, 2,3-bis(4,5-dimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-; 2,3-Bis(3,6-dioxo-4,5-dimethyl-1,4-cyclohexadienyl)naphthalene-1,4-dione; 2,3-Bis(4,5-dimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)naphthoquinone; 2,3-bis(4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698092	.	.	.	.	426.4	C26H18O6	102	1120	2.5	32	0	6	2	"InChI=1S/C26H18O6/c1-11-13(3)23(29)17(9-19(11)27)21-22(18-10-20(28)12(2)14(4)24(18)30)26(32)16-8-6-5-7-15(16)25(21)31/h5-10H,1-4H3"	CC1=C(C(=O)C(=CC1=O)C2=C(C(=O)C3=CC=CC=C3C2=O)C4=CC(=O)C(=C(C4=O)C)C)C	UJITXAYUOHCCBY-UHFFFAOYSA-N
DG58100	"2,3-Bis(1,4-dimethoxy-2-naphthyl)naphthalene-1,4-dione"	394548	"NSC698093; CHEMBL1969099; NSC-698093; NCI60_035076; 2,3-bis(1,4-dimethoxy-2-naphthyl)naphthalene-1,4-dione; [2,2':3',2''-Ternaphthalene]-1',4'-dione, 1,1'',4,4''-tetramethoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698093	.	.	.	.	530.6	C34H26O6	71.1	898	7.1	40	0	6	6	"InChI=1S/C34H26O6/c1-37-27-17-25(33(39-3)23-15-9-5-11-19(23)27)29-30(32(36)22-14-8-7-13-21(22)31(29)35)26-18-28(38-2)20-12-6-10-16-24(20)34(26)40-4/h5-18H,1-4H3"	COC1=CC(=C(C2=CC=CC=C21)OC)C3=C(C(=O)C4=CC=CC=C4C3=O)C5=C(C6=CC=CC=C6C(=C5)OC)OC	MZUZDEWSUNVOOB-UHFFFAOYSA-N
DG58101	"9-Butyl-7-hydroxy-6-methyl-5-propan-2-yloxy-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one"	394550	"NSC698095; CHEMBL1964568; butyl-hydroxy-isopropoxy-methyl-[ ]one; NSC-698095; NCI60_035078; 6-Butyl-7-hydroxy-9-isopropoxy-8-methyl-6H-[1,3]oxazolo[5,4,3-ij]quinolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698095	.	.	.	.	317.4	C18H23NO4	59	478	4.5	23	1	4	5	"InChI=1S/C18H23NO4/c1-5-6-7-12-8-9-19-14-13(12)15(20)11(4)16(22-10(2)3)17(14)23-18(19)21/h8-10,12,20H,5-7H2,1-4H3"	CCCCC1C=CN2C3=C1C(=C(C(=C3OC2=O)OC(C)C)C)O	SUKGMMWJKYXMQI-UHFFFAOYSA-N
DG58102	"5-Bromo-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide"	394566	"NSC698131; 5-Bromo-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide; Oprea1_625251; SCHEMBL3818576; CHEMBL1978266; NSC-698131; NCI60_035092; 5-bromo-6-phenyl-imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698131	.	.	.	.	359.2	C10H7BrN4O2S2	127	437	2.4	19	1	6	2	"InChI=1S/C10H7BrN4O2S2/c11-8-7(6-4-2-1-3-5-6)13-9-15(8)14-10(18-9)19(12,16)17/h1-5H,(H2,12,16,17)"	C1=CC=C(C=C1)C2=C(N3C(=N2)SC(=N3)S(=O)(=O)N)Br	HWJCZZDWWVVARW-UHFFFAOYSA-N
DG58103	"Ethyl (2-(aminosulfonyl)-5-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate"	394567	"NSC698132; CHEMBL1998747; NSC-698132; NCI60_035093; Ethyl (2-(aminosulfonyl)-5-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate; ethyl 2-(5-bromo-2-sulfamoyl-imidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698132	.	.	.	.	369.2	C8H9BrN4O4S2	153	456	1	19	1	8	5	"InChI=1S/C8H9BrN4O4S2/c1-2-17-5(14)3-4-6(9)13-7(11-4)18-8(12-13)19(10,15)16/h2-3H2,1H3,(H2,10,15,16)"	CCOC(=O)CC1=C(N2C(=N1)SC(=N2)S(=O)(=O)N)Br	RLRTYMCAWDYAFK-UHFFFAOYSA-N
DG58104	"Phosphine, (dichloromethylene)[2,4,6-tris(1,1-dimethylethyl)phenyl]-"	394572	"NSC698141; 100281-24-1; Phosphine, (dichloromethylene)[2,4,6-tris(1,1-dimethylethyl)phenyl]-; CHEMBL1999422; dichloromethylidene-(2,4,6-tritert-butylphenyl)phosphane; DTXSID70327872; NSC-698141; NCI60_035098; dichloromethylene-(2,4,6-tritert-butylphenyl)phosphane; (Dichloromethylene)(2,4,6-tritert-butylphenyl)phosphine; 2,4,6-Tri-tert-butylphenyl(dichloromethylene)phosphine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698141	.	.	.	.	359.3	C19H29Cl2P	0	379	7.7	22	0	0	4	"InChI=1S/C19H29Cl2P/c1-17(2,3)12-10-13(18(4,5)6)15(22-16(20)21)14(11-12)19(7,8)9/h10-11H,1-9H3"	CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)P=C(Cl)Cl)C(C)(C)C	DPPBWVLXJGGWOP-UHFFFAOYSA-N
DG58105	5-tert-Butyl-2-(2-(4-tert-butyl-2-(formylamino)phenoxy)ethoxy)phenylformamide	394579	NSC698148; MLS002702447; SMR000529116; MLS000756734; CHEMBL1410498; HMS2886F24; NSC-698148; NCI60_035105; 5-tert-Butyl-2-(2-(4-tert-butyl-2-(formylamino)phenoxy)ethoxy)phenylformamide; N-[5-tert-butyl-2-[2-(4-tert-butyl-2-formamido-phenoxy)ethoxy]phenyl]formamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698148	.	.	.	.	412.5	C24H32N2O4	76.7	492	5.3	30	2	4	9	"InChI=1S/C24H32N2O4/c1-23(2,3)17-7-9-21(19(13-17)25-15-27)29-11-12-30-22-10-8-18(24(4,5)6)14-20(22)26-16-28/h7-10,13-16H,11-12H2,1-6H3,(H,25,27)(H,26,28)"	CC(C)(C)C1=CC(=C(C=C1)OCCOC2=C(C=C(C=C2)C(C)(C)C)NC=O)NC=O	FTPBBJXJZJXDIG-UHFFFAOYSA-N
DG58106	N-(2-bromophenyl)-4-tert-butyl-2-methylsulfanyl-N-(2-trimethylsilylethoxymethyl)cyclohexene-1-carboxamide	394583	NSC698163; CHEMBL2002997; NSC-698163; N-(2-bromophenyl)-4-tert-butyl-2-methylsulfanyl-N-(2-trimethylsilylethoxymethyl)cyclohexene-1-carboxamide; NCI60_035109; N-(2-Bromophenyl)-4-tert-butyl-2-(methylthio)-N-((2-(trimethylsilyl)ethoxy)methyl)-1-cyclohexene-1-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698163	.	.	.	.	512.6	C24H38BrNO2SSi	54.8	611	.	30	0	3	9	"InChI=1S/C24H38BrNO2SSi/c1-24(2,3)18-12-13-19(22(16-18)29-4)23(27)26(17-28-14-15-30(5,6)7)21-11-9-8-10-20(21)25/h8-11,18H,12-17H2,1-7H3"	CC(C)(C)C1CCC(=C(C1)SC)C(=O)N(COCC[Si](C)(C)C)C2=CC=CC=C2Br	YZVVWJYTLUMPIL-UHFFFAOYSA-N
DG58107	2-(2-(2-((Benzyloxy)methyl)-1-((tert-butyl(dimethyl)silyl)oxy)-2-cyclohexen-1-yl)ethyl)phenyl trifluoromethanesulfonate	394601	NSC698181; CHEMBL1982292; NSC-698181; NCI60_035127; [2-[2-[2-(benzyloxymethyl)-1-[tert-butyl(dimethyl)silyl]oxy-cyclohex-2-en-1-yl]ethyl]phenyl] trifluoromethanesulfonate; 2-(2-(2-((Benzyloxy)methyl)-1-((tert-butyl(dimethyl)silyl)oxy)-2-cyclohexen-1-yl)ethyl)phenyl trifluoromethanesulfonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698181	.	.	.	.	584.8	C29H39F3O5SSi	70.2	917	.	39	0	8	12	"InChI=1S/C29H39F3O5SSi/c1-27(2,3)39(4,5)37-28(19-12-11-16-25(28)22-35-21-23-13-7-6-8-14-23)20-18-24-15-9-10-17-26(24)36-38(33,34)29(30,31)32/h6-10,13-17H,11-12,18-22H2,1-5H3"	CC(C)(C)[Si](C)(C)OC1(CCCC=C1COCC2=CC=CC=C2)CCC3=CC=CC=C3OS(=O)(=O)C(F)(F)F	LPFJOIQKSSSIAJ-UHFFFAOYSA-N
DG58108	"(3aS,4S,7aS)-4-[2-(3,6-dioxocyclohexa-1,4-dien-1-yl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione"	394644	NSC698246; CHEMBL1977661; NSC-698246; NCI60_035166	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698246	.	.	.	.	300.3	C18H20O4	68.3	625	1	22	0	4	3	"InChI=1S/C18H20O4/c1-18-9-8-16(21)13(14(18)5-7-17(18)22)4-2-11-10-12(19)3-6-15(11)20/h3,6,10,13-14H,2,4-5,7-9H2,1H3/t13-,14-,18-/m0/s1"	C[C@]12CCC(=O)[C@H]([C@@H]1CCC2=O)CCC3=CC(=O)C=CC3=O	VYZCIPDDACPAQS-DEYYWGMASA-N
DG58109	NSC698247	394645	"[(8S,9S,10S,13S,14S)-13-methyl-3,17-dioxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-10-yl] 2,2,2-trifluoroacetate; NSC698247; CHEMBL1985144; NSC-698247; NCI60_035167"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698247	.	.	.	.	382.4	C20H21F3O4	60.4	781	3.1	27	0	7	2	"InChI=1S/C20H21F3O4/c1-18-8-7-15-13(14(18)4-5-16(18)25)3-2-11-10-12(24)6-9-19(11,15)27-17(26)20(21,22)23/h6,9-10,13-15H,2-5,7-8H2,1H3/t13-,14-,15-,18-,19+/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34OC(=O)C(F)(F)F	DLUSTOPOVJCJLR-UNTXSKPGSA-N
DG58110	Protogenkwanone	394646	protogenkwanone; NSC698248; CHEMBL244176; SCHEMBL2874820; NSC-698248; NCI60_035168	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698248	.	.	.	.	300.26	C16H12O6	93.1	571	1.3	22	2	6	2	"InChI=1S/C16H12O6/c1-21-10-6-11(18)15-12(19)8-14(22-13(15)7-10)16(20)4-2-9(17)3-5-16/h2-8,18,20H,1H3"	COC1=CC(=C2C(=C1)OC(=CC2=O)C3(C=CC(=O)C=C3)O)O	NBGHMZZFGYSLBV-UHFFFAOYSA-N
DG58111	"4-Ethyl-4-hydroxycyclohexa-2,5-dien-1-one"	394647	NSC-698249; NSC698249; CHEMBL2004562; NCI60_035169	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698249	.	.	.	.	138.16	C8H10O2	37.3	185	0.7	10	1	2	1	"InChI=1S/C8H10O2/c1-2-8(10)5-3-7(9)4-6-8/h3-6,10H,2H2,1H3"	CCC1(C=CC(=O)C=C1)O	QFNSWCBCFCFPSG-UHFFFAOYSA-N
DG58112	"4,4-Dimethoxy-2,5-cyclohexadien-1-one"	394648	"4,4-Dimethoxy-2,5-cyclohexadien-1-one; 935-50-2; 4,4-dimethoxycyclohexa-2,5-dien-1-one; 4,5-dienone; NSC698250; benzoquinone dimethylmonoacetal; SCHEMBL3031697; CHEMBL1991580; DTXSID90327874; ZINC1860494; 4,4-dimethoxy-cyclohexa-2,5-dienone; NSC-698250; 4,4-Dimethoxy-2,5-cyclohexene-1-one; NCI60_035170; 4,4-dimethoxy-cyclohexa-2,5-dien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698250	.	.	.	.	154.16	C8H10O3	35.5	193	0.3	11	0	3	2	"InChI=1S/C8H10O3/c1-10-8(11-2)5-3-7(9)4-6-8/h3-6H,1-2H3"	COC1(C=CC(=O)C=C1)OC	AVZOEZMUNZGWLN-UHFFFAOYSA-N
DG58113	"4-Acetoxy-4-methyl-2,5-cyclohexadiene-1-one"	394650	"NSC698252; CHEMBL2001206; 4-Acetoxy-4-methyl- Cyclohexadienon; NSC-698252; NCI60_035172; 4-Acetoxy-4-methyl-2,5-cyclohexadiene-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698252	.	.	.	.	166.17	C9H10O3	43.4	258	0.8	12	0	3	2	"InChI=1S/C9H10O3/c1-7(10)12-9(2)5-3-8(11)4-6-9/h3-6H,1-2H3"	CC(=O)OC1(C=CC(=O)C=C1)C	VAWNSOIWPPSKIJ-UHFFFAOYSA-N
DG58114	"2, 4-Hydroxy-4-(3-hydroxy-1-propynyl)-"	394651	"NSC698253; CHEMBL1992571; NSC-698253; NCI60_035173; 2, 4-hydroxy-4-(3-hydroxy-1-propynyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698253	.	.	.	.	164.16	C9H8O3	57.5	295	-0.6	12	2	3	1	"InChI=1S/C9H8O3/c10-7-1-4-9(12)5-2-8(11)3-6-9/h2-3,5-6,10,12H,7H2"	C1=CC(C=CC1=O)(C#CCO)O	HYMUYMHBNHXVCF-UHFFFAOYSA-N
DG58115	"5'-Formyl-2,5-bis(2'-selenyl)-N-methylpyrrol"	394652	"NSC698254; CHEMBL1995972; NSC-698254; NCI60_035174; 5'-Formyl-2,5-bis(2'-selenyl)-N-methylpyrrol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698254	.	.	.	.	367.2	C14H11NOSe2	22	312	.	18	0	1	3	"InChI=1S/C14H11NOSe2/c1-15-11(13-3-2-8-17-13)5-6-12(15)14-7-4-10(9-16)18-14/h2-9H,1H3"	CN1C(=CC=C1C2=CC=C([Se]2)C=O)C3=CC=C[Se]3	UAYWRURRGNAXRE-UHFFFAOYSA-N
DG58116	"5'-Hydromethyl-2,5-bis-(2'selenyl)-N-methylpyrrol"	394653	"NSC698255; CHEMBL1999987; NSC-698255; NCI60_035175; 5'-Hydromethyl-2,5-bis-(2'selenyl)-N-methylpyrrol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698255	.	.	.	.	369.2	C14H13NOSe2	25.2	289	.	18	1	1	3	"InChI=1S/C14H13NOSe2/c1-15-11(13-3-2-8-17-13)5-6-12(15)14-7-4-10(9-16)18-14/h2-8,16H,9H2,1H3"	CN1C(=CC=C1C2=CC=C([Se]2)CO)C3=CC=C[Se]3	HBCHTTSHJKPLDF-UHFFFAOYSA-N
DG58117	4-[(E)-(9-ethylcarbazol-3-yl)azo]benzonitrile	394667	NSC698269; CHEMBL1990250; NSC-698269; NCI60_035189; 4-[(E)-(9-ethylcarbazol-3-yl)azo]benzonitrile; 4-((9-Ethyl-9H-carbazol-3-yl)diazenyl)benzonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698269	.	.	.	.	324.4	C21H16N4	53.4	527	5.1	25	0	3	3	"InChI=1S/C21H16N4/c1-2-25-20-6-4-3-5-18(20)19-13-17(11-12-21(19)25)24-23-16-9-7-15(14-22)8-10-16/h3-13H,2H2,1H3"	CCN1C2=C(C=C(C=C2)N=NC3=CC=C(C=C3)C#N)C4=CC=CC=C41	TUUFSFXGKKPFKX-UHFFFAOYSA-N
DG58118	"7,11-Bis(4-chlorophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone"	394683	"NSC698286; CHEMBL1967153; 1,5-bis(4-chlorophenyl)-8,10-diazaspiro[5.5]undecane-3,7,9,11-tetrone; 7,11-Bis(4-chlorophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone; NSC-698286; NCI60_035205; 7,11-di-(4-chlorophenyl)-3-oxo-2,4-diazaspiro[5,5] undecane-1,5,9-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698286	.	.	.	.	431.3	C21H16Cl2N2O4	92.3	656	2.9	29	2	4	2	"InChI=1S/C21H16Cl2N2O4/c22-13-5-1-11(2-6-13)16-9-15(26)10-17(12-3-7-14(23)8-4-12)21(16)18(27)24-20(29)25-19(21)28/h1-8,16-17H,9-10H2,(H2,24,25,27,28,29)"	C1C(C2(C(CC1=O)C3=CC=C(C=C3)Cl)C(=O)NC(=O)NC2=O)C4=CC=C(C=C4)Cl	DWHYSHPLGNQIKP-UHFFFAOYSA-N
DG58119	"1,5-Bis(4-dimethylaminophenyl)-8,10-diazaspiro[5.5]undecane-3,7,9,11-tetrone"	394684	"NSC698287; CHEMBL1982686; NSC-698287; 1,5-bis(4-dimethylaminophenyl)-8,10-diazaspiro[5.5]undecane-3,7,9,11-tetrone; NCI60_035206; 7,11-Bis(4-(dimethylamino)phenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698287	.	.	.	.	448.5	C25H28N4O4	98.8	732	1.9	33	2	6	4	"InChI=1S/C25H28N4O4/c1-28(2)17-9-5-15(6-10-17)20-13-19(30)14-21(16-7-11-18(12-8-16)29(3)4)25(20)22(31)26-24(33)27-23(25)32/h5-12,20-21H,13-14H2,1-4H3,(H2,26,27,31,32,33)"	CN(C)C1=CC=C(C=C1)C2CC(=O)CC(C23C(=O)NC(=O)NC3=O)C4=CC=C(C=C4)N(C)C	XUWJVHFJAFWVCG-UHFFFAOYSA-N
DG58120	"N,N-dibutyl-N-[3,4,4-trichloro-1-(dibutylamino)-2-nitro-1,3-butadienyl]amine"	394699	"NSC698367; CHEMBL1966708; ZINC5924781; NSC-698367; NCI60_035220; N,N-dibutyl-N-[3,4,4-trichloro-1-(dibutylamino)-2-nitro-1,3-butadienyl]amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698367	.	.	.	.	456.9	C20H36Cl3N3O2	52.3	477	8.1	28	0	4	15	"InChI=1S/C20H36Cl3N3O2/c1-5-9-13-24(14-10-6-2)20(18(26(27)28)17(21)19(22)23)25(15-11-7-3)16-12-8-4/h5-16H2,1-4H3"	CCCCN(CCCC)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N(CCCC)CCCC	MNTXWSJOQLHEBP-UHFFFAOYSA-N
DG58121	"1-[3,4,4-Trichloro-2-nitro-1-(1,2,4-triazol-1-yl)buta-1,3-dienyl]-1,2,4-triazole"	394721	NSC698389; CHEMBL1975399; NSC-698389; NCI60_035242	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698389	.	.	.	.	336.5	C8H4Cl3N7O2	107	442	2.3	20	0	6	3	InChI=1S/C8H4Cl3N7O2/c9-5(7(10)11)6(18(19)20)8(16-3-12-1-14-16)17-4-13-2-15-17/h1-4H	C1=NN(C=N1)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2C=NC=N2	TUFXQSAGLVXWKV-UHFFFAOYSA-N
DG58122	"1-N,1-N'-bis[1-(1-adamantyl)ethyl]-3,4,4-trichloro-2-nitrobuta-1,3-diene-1,1-diamine"	394729	"NSC698397; SCHEMBL4856707; CHEMBL2005763; NSC-698397; NCI60_035250; 1,1-diamine, 3,4,4-trichloro-2-nitro-N,N'- bis(1-tricyclo[3.3.1.1(3,7)]dec-1-ylethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698397	.	.	.	.	557	C28H40Cl3N3O2	69.9	846	9.5	36	2	4	7	"InChI=1S/C28H40Cl3N3O2/c1-15(27-9-17-3-18(10-27)5-19(4-17)11-27)32-26(24(34(35)36)23(29)25(30)31)33-16(2)28-12-20-6-21(13-28)8-22(7-20)14-28/h15-22,32-33H,3-14H2,1-2H3"	CC(C12CC3CC(C1)CC(C3)C2)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC(C)C45CC6CC(C4)CC(C6)C5	XDLJPIYOSCWLFS-UHFFFAOYSA-N
DG58123	"5-(1,3-Benzodioxol-5-yl)-1,2,3,4-tetrahydrobenzo[a]phenanthridine"	394732	"5-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydrobenzo[a]phenanthridine; NSC698400; Oprea1_755382; CHEMBL1965213; ZINC754942; STK369750; AKOS001578284; MCULE-4801279322; NSC-698400; NCI60_035253"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698400	.	.	.	.	353.4	C24H19NO2	31.4	539	6.3	27	0	3	1	"InChI=1S/C24H19NO2/c1-2-6-17-15(5-1)9-11-20-23(17)18-7-3-4-8-19(18)24(25-20)16-10-12-21-22(13-16)27-14-26-21/h1-2,5-6,9-13H,3-4,7-8,14H2"	C1CCC2=C(C1)C3=C(C=CC4=CC=CC=C43)N=C2C5=CC6=C(C=C5)OCO6	AMKFUJCVEPYZFT-UHFFFAOYSA-N
DG58124	"4-(1,2,3,4-Tetrahydrobenzo[a]phenanthridin-5-yl)benzene-1,3-diol"	394740	NSC698408; Oprea1_372174; CHEMBL1997430; ZINC218776; MCULE-5203738744; NSC-698408; NCI60_035261	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698408	.	.	.	.	341.4	C23H19NO2	53.4	497	5.8	26	2	3	1	"InChI=1S/C23H19NO2/c25-15-10-11-19(21(26)13-15)23-18-8-4-3-7-17(18)22-16-6-2-1-5-14(16)9-12-20(22)24-23/h1-2,5-6,9-13,25-26H,3-4,7-8H2"	C1CCC2=C(C1)C3=C(C=CC4=CC=CC=C43)N=C2C5=C(C=C(C=C5)O)O	YAXPLWTXMPAXSU-UHFFFAOYSA-N
DG58125	"5-(4-Chlorophenyl)-1,2,3,4-tetrahydrobenzo[a]phenanthridine"	394741	"5-(4-chlorophenyl)-1,2,3,4-tetrahydrobenzo[a]phenanthridine; 24951-96-0; NSC-698409; NSC698409; Oprea1_868970; CHEMBL1287897; SCHEMBL15176796; ZINC1860615; MFCD00559890; AKOS000344702; MCULE-1287016766; NCI60_035262; 5-(4-Chlorophenyl)-1,2,3,4-tetrahydrobenzo [a]phenanthridine; 5-(4-Chloro-phenyl)-1,2,3,4-tetrahydro-benzo[a]phenanthridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698409	.	.	.	.	343.8	C23H18ClN	12.9	457	7.1	25	0	1	1	"InChI=1S/C23H18ClN/c24-17-12-9-16(10-13-17)23-20-8-4-3-7-19(20)22-18-6-2-1-5-15(18)11-14-21(22)25-23/h1-2,5-6,9-14H,3-4,7-8H2"	C1CCC2=C(C1)C3=C(C=CC4=CC=CC=C43)N=C2C5=CC=C(C=C5)Cl	PASHVRJQIMSUKB-UHFFFAOYSA-N
DG58126	"5-[2-[2-(5-anilino-1,3,4-thiadiazol-2-yl)anilino]phenyl]-N-phenyl-1,3,4-thiadiazol-2-amine"	394755	"NSC698458; 5-[2-[2-(5-anilino-1,3,4-thiadiazol-2-yl)anilino]phenyl]-N-phenyl-1,3,4-thiadiazol-2-amine; 5-(2-(2-(5-Anilino-1,3,4-thiadiazol-2-yl)anilino)phenyl)-N-phenyl-1,3,4-thiadiazol-2-amine; CHEMBL1983293; NSC-698458; NCI60_035275; N-(5-(2-(2-(5-Anilino-1,3,4-thiadiazol-2-yl)anilino)phenyl)-1,3,4-thiadiazol-2-yl)-N-phenylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698458	.	.	.	.	519.6	C28H21N7S2	144	633	7.4	37	3	9	8	"InChI=1S/C28H21N7S2/c1-3-11-19(12-4-1)29-27-34-32-25(36-27)21-15-7-9-17-23(21)31-24-18-10-8-16-22(24)26-33-35-28(37-26)30-20-13-5-2-6-14-20/h1-18,31H,(H,29,34)(H,30,35)"	C1=CC=C(C=C1)NC2=NN=C(S2)C3=CC=CC=C3NC4=CC=CC=C4C5=NN=C(S5)NC6=CC=CC=C6	RBCJNCHCJNDFJB-UHFFFAOYSA-N
DG58127	"N-ethyl-5-[2-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine"	394756	"NSC698459; N-ethyl-5-[2-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine; N-Ethyl-5-(2-(2-(5-(ethylamino)-1,3,4-thiadiazol-2-yl)anilino)phenyl)-1,3,4-thiadiazol-2-amine; CHEMBL1996420; NSC-698459; NCI60_035276; N-Ethyl-N-(5-(2-(2-(5-(ethylamino)-1,3,4-thiadiazol-2-yl)anilino)phenyl)-1,3,4-thiadiazol-2-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698459	.	.	.	.	423.6	C20H21N7S2	144	458	5	29	3	9	8	"InChI=1S/C20H21N7S2/c1-3-21-19-26-24-17(28-19)13-9-5-7-11-15(13)23-16-12-8-6-10-14(16)18-25-27-20(29-18)22-4-2/h5-12,23H,3-4H2,1-2H3,(H,21,26)(H,22,27)"	CCNC1=NN=C(S1)C2=CC=CC=C2NC3=CC=CC=C3C4=NN=C(S4)NCC	KJMMXUHDSKUPQW-UHFFFAOYSA-N
DG58128	"1-[5-[2-[2-(3-acetyl-2-phenyl-2H-1,3,4-oxadiazol-5-yl)anilino]phenyl]-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone"	394758	"NSC698461; CHEMBL1980101; ZINC01860667; NSC-698461; 1-[5-[2-[2-(3-acetyl-2-phenyl-2H-1,3,4-oxadiazol-5-yl)anilino]phenyl]-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone; NCI60_035278; N,N-Bis(2-(4-acetyl-5-phenyl-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl)amine; 2-(4-Acetyl-5-phenyl-4,5-dihydro-1,3,4-oxadiazol-2-yl)-N-(2-(4-acetyl-5-phenyl-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl)aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698461	.	.	.	.	545.6	C32H27N5O4	95.8	926	5.5	41	1	7	6	"InChI=1S/C32H27N5O4/c1-21(38)36-31(23-13-5-3-6-14-23)40-29(34-36)25-17-9-11-19-27(25)33-28-20-12-10-18-26(28)30-35-37(22(2)39)32(41-30)24-15-7-4-8-16-24/h3-20,31-33H,1-2H3"	CC(=O)N1C(OC(=N1)C2=CC=CC=C2NC3=CC=CC=C3C4=NN(C(O4)C5=CC=CC=C5)C(=O)C)C6=CC=CC=C6	WJICGEQVSYSGKX-UHFFFAOYSA-N
DG58129	"4,7-bis(1H-pyrrol-2-yl)-2,1,3-benzothiadiazole"	394788	"NSC698573; NCIMech_000257; 4,7-bis(1H-pyrrol-2-yl)-2,1,3-benzothiadiazole; CHEMBL1998669; SCHEMBL20370289; CCG-35240; NSC-698573; NCI60_035287; 4,7-Di(1H-pyrrol-2-yl)-2,1,3-benzothiadiazole; 4,7-Bis(1H-pyrrole-2-yl)-2,1,3-benzothiadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698573	.	.	.	.	266.32	C14H10N4S	85.6	297	2.7	19	2	3	2	"InChI=1S/C14H10N4S/c1-3-11(15-7-1)9-5-6-10(12-4-2-8-16-12)14-13(9)17-19-18-14/h1-8,15-16H"	C1=CNC(=C1)C2=CC=C(C3=NSN=C23)C4=CC=CN4	OZZFDRYXQMGCQY-UHFFFAOYSA-N
DG58130	"4,7-bis[5-(2,1,3-benzothiadiazol-4-yl)-1H-pyrrol-2-yl]-2,1,3-benzothiadiazole"	394789	"NSC698574; 4,7-bis[5-(2,1,3-benzothiadiazol-4-yl)-1H-pyrrol-2-yl]-2,1,3-benzothiadiazole; 4,7-Bis(5-(2,1,3-benzothiadiazol-4-yl)-1H-pyrrol-2-yl)-2,1,3-benzothiadiazole; CHEMBL1983074; NSC-698574; NCI60_035288"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698574	.	.	.	.	534.6	C26H14N8S3	194	761	5.8	37	2	9	4	"InChI=1S/C26H14N8S3/c1-3-13(23-21(5-1)29-35-31-23)17-9-11-19(27-17)15-7-8-16(26-25(15)33-37-34-26)20-12-10-18(28-20)14-4-2-6-22-24(14)32-36-30-22/h1-12,27-28H"	C1=CC2=NSN=C2C(=C1)C3=CC=C(N3)C4=CC=C(C5=NSN=C45)C6=CC=C(N6)C7=CC=CC8=NSN=C87	XFIPMJNWOGPOOS-UHFFFAOYSA-N
DG58131	"5-(4-bromophenyl)-4-methyl-6,7-dihydro-2H-pyrazolo[4,3-c]pyridin-3-one"	394790	"NSC698575; CHEMBL1985545; CTRXHSDVFVFXGZ-UHFFFAOYSA-; 5-(4-bromophenyl)-4-methyl-6,7-dihydro-2H-pyrazolo[4,3-c]pyridin-3-one; NSC-698575; 5-(4-Bromophenyl)-4-methyl-2,5,6,7-tetrahydro-3H-pyrazolo[4,3-c]pyridin-3-one; NCI60_035289; 4-Methyl-5-(4-bromophenyl)-2,5,6,7-tetrahydro-3H-pyrazolo[4,3-c]pyridin-3-one; 5-(4-bromophenyl)-4-methyl-2,5,6,7-tetrahydro-3h-pyrazolo-[4,3-c]pyridin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698575	.	.	.	.	306.16	C13H12BrN3O	44.7	436	2.3	18	1	3	1	"InChI=1S/C13H12BrN3O/c1-8-12-11(15-16-13(12)18)6-7-17(8)10-4-2-9(14)3-5-10/h2-5H,6-7H2,1H3,(H,16,18)"	CC1=C2C(=NNC2=O)CCN1C3=CC=C(C=C3)Br	CTRXHSDVFVFXGZ-UHFFFAOYSA-N
DG58132	"6-Chloro-1-methyl-3,4-diphenyl-1H-pyrazolo[3,4-b]quinoline"	394794	"NSC698581; CHEMBL1970679; 6-Chloro-1-methyl-3,4-diphenyl-1H-pyrazolo[3,4-b]quinoline; NSC-698581; NCI60_035293; 6-chloro-1-methyl-3,4-diphenyl-pyrazolo[3,4-b]quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698581	.	.	.	.	369.8	C23H16ClN3	30.7	502	6.1	27	0	2	2	"InChI=1S/C23H16ClN3/c1-27-23-21(22(26-27)16-10-6-3-7-11-16)20(15-8-4-2-5-9-15)18-14-17(24)12-13-19(18)25-23/h2-14H,1H3"	CN1C2=NC3=C(C=C(C=C3)Cl)C(=C2C(=N1)C4=CC=CC=C4)C5=CC=CC=C5	IOCZGUZIDAVUOA-UHFFFAOYSA-N
DG58133	"2-(4-Butylphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one"	394799	"NSC698601; CHEMBL1986442; 2-(4-Butylphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one; NSC-698601; NCI60_035298; 2-(4-butylphenyl)-5-methyl-isothiazolo[5,4-b]pyridin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698601	.	.	.	.	298.4	C17H18N2OS	58.5	368	4.5	21	0	3	4	"InChI=1S/C17H18N2OS/c1-3-4-5-13-6-8-14(9-7-13)19-17(20)15-10-12(2)11-18-16(15)21-19/h6-11H,3-5H2,1-2H3"	CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC(=C3)C	AJXDIOWWYDSUKX-UHFFFAOYSA-N
DG58134	4-Morpholinobenzonitrile	394808	"4-Morpholinobenzonitrile; 10282-31-2; 4-(4-Cyanophenyl)morpholine; 4-morpholin-4-ylbenzonitrile; Benzonitrile, 4-(4-morpholinyl)-; 4-(4-Morpholinyl)benzonitrile; 4-Morpholin-4-yl-benzonitrile; 4-(morpholin-4-yl)benzonitrile; MFCD00100115; NSC698610; Benzonitrile,4-(4-morpholinyl)-; Maybridge3_004519; N-(4-cyanophenyl)morpholine; SCHEMBL39646; 4(4-morpholinyl) benzonitrile; 4-(4-morpholinyl) Benzonitrile; CHEMBL1988902; DTXSID10327876; HMS1443N09; ZINC173370; ACT08184; STL411563; AKOS000218410; FS-2630; MCULE-7221709667; NSC-698610; IDI1_015906; AC-17779; NCI60_035307; SY007192; DB-058867; CS-0067771; FT-0758903; Z6558"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698610	.	.	.	.	188.23	C11H12N2O	36.3	219	1.1	14	0	3	1	"InChI=1S/C11H12N2O/c12-9-10-1-3-11(4-2-10)13-5-7-14-8-6-13/h1-4H,5-8H2"	C1COCCN1C2=CC=C(C=C2)C#N	ZSCUWVQXQDCSRV-UHFFFAOYSA-N
DG58135	4-(4-cyano-N-(4-methoxyphenyl)anilino)benzonitrile	394812	"NSC698614; 4-(4-cyano-N-(4-methoxyphenyl)anilino)benzonitrile; SCHEMBL8850288; CHEMBL2002190; NSC-698614; NCI60_035311; 4,4'-(4-Methoxyphenylimino)bis(benzonitrile); Benzonitrile, 4,4'-[(4-methoxyphenyl)imino]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698614	.	.	.	.	325.4	C21H15N3O	60	470	4.6	25	0	4	4	"InChI=1S/C21H15N3O/c1-25-21-12-10-20(11-13-21)24(18-6-2-16(14-22)3-7-18)19-8-4-17(15-23)5-9-19/h2-13H,1H3"	COC1=CC=C(C=C1)N(C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)C#N	KTFRBVAZZLOFPO-UHFFFAOYSA-N
DG58136	2-[3-Iodo-4-(acetylamino)phenyl]benzothiazole	394822	NSC698672; CHEMBL128895; NSC-698672; NCI60_035317; 2-[3-Iodo-4-(acetylamino)phenyl]benzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698672	.	.	.	.	394.2	C15H11IN2OS	70.2	368	4.1	20	1	3	2	"InChI=1S/C15H11IN2OS/c1-9(19)17-12-7-6-10(8-11(12)16)15-18-13-4-2-3-5-14(13)20-15/h2-8H,1H3,(H,17,19)"	CC(=O)NC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)I	WLDKTFGDGDSFHA-UHFFFAOYSA-N
DG58137	2-[3-Bromo-4-(acetylamino)phenyl]benzothiazole	394823	NSC698673; CHEMBL341023; NSC-698673; NCI60_035318; 2-[3-Bromo-4-(acetylamino)phenyl]benzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698673	.	.	.	.	347.2	C15H11BrN2OS	70.2	368	4.1	20	1	3	2	"InChI=1S/C15H11BrN2OS/c1-9(19)17-12-7-6-10(8-11(12)16)15-18-13-4-2-3-5-14(13)20-15/h2-8H,1H3,(H,17,19)"	CC(=O)NC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)Br	MGWWXIKQBBOSEX-UHFFFAOYSA-N
DG58138	"N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]acetamide"	394824	"N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]acetamide; NSC698674; 2-[3-Methyl-4-(acetylamino)phenyl]benzothiazole; CHEMBL130525; ZINC1860737; STK520043; AKOS000476462; MCULE-5585400821; NSC-698674; NCGC00327806-01; NCI60_035319; AB01322911-02; AP-970/43481379"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698674	.	.	.	.	282.4	C16H14N2OS	70.2	362	3.8	20	1	3	2	"InChI=1S/C16H14N2OS/c1-10-9-12(7-8-13(10)17-11(2)19)16-18-14-5-3-4-6-15(14)20-16/h3-9H,1-2H3,(H,17,19)"	CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C	BFAFHUBUWQAGOY-UHFFFAOYSA-N
DG58139	2-[3-Chloro-4-(acetylamino)phenyl]benzothiazole	394825	NSC698675; CHEMBL126268; NSC-698675; NCI60_035320; 2-[3-Chloro-4-(acetylamino)phenyl]benzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698675	.	.	.	.	302.8	C15H11ClN2OS	70.2	368	4.1	20	1	3	2	"InChI=1S/C15H11ClN2OS/c1-9(19)17-12-7-6-10(8-11(12)16)15-18-13-4-2-3-5-14(13)20-15/h2-8H,1H3,(H,17,19)"	CC(=O)NC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)Cl	XYUDZDRRFABYLW-UHFFFAOYSA-N
DG58140	3-(2-Chlorophenyl)-7-fluorochromen-4-one	394828	NSC698680; CHEMBL1987810; NSC-698680; NCI60_035323	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698680	.	.	.	.	274.67	C15H8ClFO2	26.3	396	3.9	19	0	3	1	InChI=1S/C15H8ClFO2/c16-13-4-2-1-3-10(13)12-8-19-14-7-9(17)5-6-11(14)15(12)18/h1-8H	C1=CC=C(C(=C1)C2=COC3=C(C2=O)C=CC(=C3)F)Cl	DYJOHRAQXUCDNG-UHFFFAOYSA-N
DG58141	NSC698684	394832	"[4-Acetyloxy-2-[[[3,4-diacetyloxy-5-[4-(octadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl] acetate; NSC698684; CHEMBL2001953; NSC-698684; NCI60_035327"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698684	.	.	.	.	1235.5	C62H103N6O17P	286	2270	13.7	86	3	17	51	"InChI=1S/C62H103N6O17P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-63-52-39-42-67(61(74)65-52)59-57(82-48(5)71)55(80-46(3)69)50(84-59)44-78-86(76,77)79-45-51-56(81-47(4)70)58(83-49(6)72)60(85-51)68-43-40-53(66-62(68)75)64-54(73)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h39-40,42-43,50-51,55-60H,7-38,41,44-45H2,1-6H3,(H,76,77)(H,63,65,74)(H,64,66,73,75)"	CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)NC(=O)CCCCCCCCCCCCCCCCC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	FEKQTDBMXSGAJQ-UHFFFAOYSA-N
DG58142	NSC698685	394833	"[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate; NSC698685; CHEMBL1966146; NSC-698685; NCI60_035328"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698685	.	.	.	.	800.9	C36H61N6O12P	259	1400	2.8	55	7	12	26	"InChI=1S/C36H61N6O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-38-28-19-22-42(36(48)40-28)34-32(46)30(44)26(54-34)24-52-55(49,50)51-23-25-29(43)31(45)33(53-25)41-21-18-27(37)39-35(41)47/h18-19,21-22,25-26,29-34,43-46H,2-17,20,23-24H2,1H3,(H,49,50)(H2,37,39,47)(H,38,40,48)"	CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O)O)O	MMRUODDNUXWTDB-UHFFFAOYSA-N
DG58143	NSC698686	394834	[5-(4-Amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [3-[[5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecoxypropyl] hydrogen phosphate; NSC698686; CHEMBL1974169; NSC-698686; NCI60_035329	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698686	.	.	.	.	1209.4	C57H103FN6O16P2	303	2030	11.6	82	7	17	50	"InChI=1S/C57H103FN6O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-60-54-46(58)40-64(57(69)62-54)51-39-47(66)49(78-51)44-77-81(70,71)75-42-45(74-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)43-76-82(72,73)80-53-48(41-65)79-55(52(53)67)63-37-35-50(59)61-56(63)68/h35,37,40,45,47-49,51-53,55,65-67H,3-34,36,38-39,41-44H2,1-2H3,(H,70,71)(H,72,73)(H2,59,61,68)(H,60,62,69)"	CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(C(O2)COP(=O)(O)OCC(COP(=O)(O)OC3C(OC(C3O)N4C=CC(=NC4=O)N)CO)OCCCCCCCCCCCCCCCCCC)O	ZUDHEYIJETYJLJ-UHFFFAOYSA-N
DG58144	NSC698687	394835	"[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate; NSC698687; CHEMBL1980695; NSC-698687; NCI60_035330"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698687	.	.	.	.	802.9	C36H60FN6O11P	238	1420	4.1	55	6	12	26	"InChI=1S/C36H60FN6O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-39-33-25(37)22-43(36(48)41-33)30-21-26(44)27(53-30)23-51-55(49,50)52-24-28-31(45)32(46)34(54-28)42-20-18-29(38)40-35(42)47/h18,20,22,26-28,30-32,34,44-46H,2-17,19,21,23-24H2,1H3,(H,49,50)(H2,38,40,47)(H,39,41,48)"	CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(C(O2)COP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O)O	BZYLGAQIUANYBL-UHFFFAOYSA-N
DG58145	NSC698688	394836	"[3-[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecoxypropyl] [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate; NSC698688; CHEMBL1967790; NSC-698688; NCI60_035331"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698688	.	.	.	.	957.9	C39H66FN5O17P2	308	1700	2.7	64	7	18	32	"InChI=1S/C39H66FN5O17P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-56-27(23-57-63(52,53)59-25-30-29(46)21-33(61-30)45-22-28(40)36(49)43-39(45)51)24-58-64(54,55)60-26-31-34(47)35(48)37(62-31)44-19-18-32(41)42-38(44)50/h18-19,22,27,29-31,33-35,37,46-48H,2-17,20-21,23-26H2,1H3,(H,52,53)(H,54,55)(H2,41,42,50)(H,43,49,51)"	CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O)COP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O	SQRKLIRPTOBGAL-UHFFFAOYSA-N
DG58146	NSC698690	394838	[1-[[5-[5-Fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-[hydroxy-[4-hydroxy-2-(hydroxymethyl)-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl]oxyphosphoryl]oxypropan-2-yl] hexadecanoate; NSC698690; CHEMBL1970814; NSC-698690; NCI60_035333	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698690	.	.	.	.	1447.8	C73H133FN6O17P2	306	2400	19.3	99	7	18	66	"InChI=1S/C73H133FN6O17P2/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-51-75-65-50-53-79(72(85)77-65)71-68(84)69(63(56-81)96-71)97-99(89,90)92-58-60(94-67(83)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)57-91-98(87,88)93-59-64-62(82)54-66(95-64)80-55-61(74)70(78-73(80)86)76-52-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h50,53,55,60,62-64,66,68-69,71,81-82,84H,4-49,51-52,54,56-59H2,1-3H3,(H,87,88)(H,89,90)(H,75,77,85)(H,76,78,86)"	CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)OP(=O)(O)OCC(COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=NC4=O)NCCCCCCCCCCCCCCCCCC)F)O)OC(=O)CCCCCCCCCCCCCCC)O	LXFIWLBIILJTPN-UHFFFAOYSA-N
DG58147	"1-[4-(1,2,3,4-Tetrahydroacridin-9-ylamino)phenyl]ethanone"	394839	"MLS000731429; 1-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)phenyl]ethanone; SMR000309704; NSC698691; cid_394839; CHEMBL1573717; BDBM51185; HMS2765M13; ZINC1860744; MCULE-5404711138; NSC-698691; NCI60_035334"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698691	.	.	.	.	316.4	C21H20N2O	42	443	4.6	24	1	3	3	"InChI=1S/C21H20N2O/c1-14(24)15-10-12-16(13-11-15)22-21-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)21/h2,4,6,8,10-13H,3,5,7,9H2,1H3,(H,22,23)"	CC(=O)C1=CC=C(C=C1)NC2=C3CCCCC3=NC4=CC=CC=C42	LISOWNMDDONOPL-UHFFFAOYSA-N
DG58148	"Ethyl 4-(1,2,3,4-tetrahydroacridin-9-ylamino)benzoate"	394840	"NSC698692; CHEMBL1964778; ethyl 4-(1,2,3,4-tetrahydroacridin-9-ylamino)benzoate; ZINC20329251; MCULE-7971241932; NSC-698692; NCI60_035335"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698692	.	.	.	.	346.4	C22H22N2O2	51.2	475	5.2	26	1	4	5	"InChI=1S/C22H22N2O2/c1-2-26-22(25)15-11-13-16(14-12-15)23-21-17-7-3-5-9-19(17)24-20-10-6-4-8-18(20)21/h3,5,7,9,11-14H,2,4,6,8,10H2,1H3,(H,23,24)"	CCOC(=O)C1=CC=C(C=C1)NC2=C3CCCCC3=NC4=CC=CC=C42	ZBDFMRBYPGWSBX-UHFFFAOYSA-N
DG58149	"2-(Diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolane-3,4-diol"	394850	NSC698925; CHEMBL1972603; NSC-698925; NCI60_035349	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698925	.	.	.	.	284.24	C10H21O7P	105	288	-1.4	18	3	7	7	"InChI=1S/C10H21O7P/c1-3-15-18(14,16-4-2)6-8-10(13)9(12)7(5-11)17-8/h7-13H,3-6H2,1-2H3"	CCOP(=O)(CC1C(C(C(O1)CO)O)O)OCC	LYEYSPMBJBJGLG-UHFFFAOYSA-N
DG58150	"methyl 8-(chloromethyl)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate"	394855	NSC698931; CHEMBL1965672; NSC-698931; NCI60_035350	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698931	.	.	.	.	497.9	C25H24ClN3O6	106	803	4	35	2	6	7	"InChI=1S/C25H24ClN3O6/c1-32-19-8-12-7-16(28-21(12)23(34-3)22(19)33-2)24(30)29-11-13(10-26)20-14-9-17(25(31)35-4)27-15(14)5-6-18(20)29/h5-9,13,27-28H,10-11H2,1-4H3"	COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=CC5=C4C=C(N5)C(=O)OC)CCl)OC)OC	APWWFQQORDQRJM-UHFFFAOYSA-N
DG58151	"4-N-(1-adamantyl)-6-chloropyrimidine-2,4,5-triamine"	394863	NSC698952; CHEMBL2001691; NSC-698952; NCI60_035358	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698952	.	.	.	.	293.79	C14H20ClN5	89.8	349	3.1	20	3	5	2	"InChI=1S/C14H20ClN5/c15-11-10(16)12(19-13(17)18-11)20-14-4-7-1-8(5-14)3-9(2-7)6-14/h7-9H,1-6,16H2,(H3,17,18,19,20)"	C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC(=N4)N)Cl)N	DRBBEWLHAWBSKP-UHFFFAOYSA-N
DG58152	"N,N'-Di(1-adamantyl)-6-chloro-1,3,5-triazine-2,4-diamine"	394865	"NSC698954; CHEMBL1979079; NSC-698954; NCI60_035360; N,N'-Di(1-adamantyl)-6-chloro-1,3,5-triazine-2,4-diamine; N2,N4-bis(1-adamantyl)-6-chloro-1,3,5-triazine-2,4-diamine; N~2~,N~4~-Di(1-adamantyl)-6-chloro-1,3,5-triazine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698954	.	.	.	.	414	C23H32ClN5	62.7	531	6.9	29	2	5	4	"InChI=1S/C23H32ClN5/c24-19-25-20(28-22-7-13-1-14(8-22)3-15(2-13)9-22)27-21(26-19)29-23-10-16-4-17(11-23)6-18(5-16)12-23/h13-18H,1-12H2,(H2,25,26,27,28,29)"	C1C2CC3CC1CC(C2)(C3)NC4=NC(=NC(=N4)Cl)NC56CC7CC(C5)CC(C7)C6	REODSSILSGZFFM-UHFFFAOYSA-N
DG58153	"N,N',N''-Tri(1-adamantyl)-1,3,5-triazine-2,4,6-triamine"	394866	"NSC698955; CHEMBL1992809; ZINC5925072; AKOS001015294; NSC-698955; NCI60_035361; N,N',N''-Tri(1-adamantyl)-1,3,5-triazine-2,4,6-triamine; N2,N4,N6-tris(1-adamantyl)-1,3,5-triazine-2,4,6-triamine; N~2~,N~4~,N~6~-Tri(1-adamantyl)-1,3,5-triazine-2,4,6-triamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698955	.	.	.	.	528.8	C33H48N6	74.8	733	8.9	39	3	6	6	"InChI=1S/C33H48N6/c1-19-2-21-3-20(1)11-31(10-19,12-21)37-28-34-29(38-32-13-22-4-23(14-32)6-24(5-22)15-32)36-30(35-28)39-33-16-25-7-26(17-33)9-27(8-25)18-33/h19-27H,1-18H2,(H3,34,35,36,37,38,39)"	C1C2CC3CC1CC(C2)(C3)NC4=NC(=NC(=N4)NC56CC7CC(C5)CC(C7)C6)NC89CC1CC(C8)CC(C1)C9	MFVQBTPSCNUNAI-UHFFFAOYSA-N
DG58154	NSC698959	394870	"15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-nitro-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione; NSC698959; CHEMBL83620; NSC-698959; NCI60_035365; 2-dimethylaminoethyl-(2-dimethylaminoethylamino)-nitro-[ ]trione; 2-(2-(Dimethylamino)ethyl)-6-((2-(dimethylamino)ethyl)amino)-9-(hydroxy(oxido)amino)-1H,7H-pyrimido[5,6,1-de]acridine-1,3,7(2H)-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698959	.	.	.	.	466.5	C23H26N6O5	122	829	2.3	34	1	8	7	"InChI=1S/C23H26N6O5/c1-25(2)10-9-24-17-7-6-15-20-19(17)21(30)16-13-14(29(33)34)5-8-18(16)28(20)23(32)27(22(15)31)12-11-26(3)4/h5-8,13,24H,9-12H2,1-4H3"	CN(C)CCNC1=C2C3=C(C=C1)C(=O)N(C(=O)N3C4=C(C2=O)C=C(C=C4)[N+](=O)[O-])CCN(C)C	UAPCXYAZNSSWPA-UHFFFAOYSA-N
DG58155	NSC698960	394871	"5-Amino-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione; NSC698960; CHEMBL1195026; NSC-698960; NCI60_035366; amino-(2-dimethylaminoethyl)-(2-dimethylaminoethylamino)[ ]trione; 6-[2-(Dimethylamino)ethylamino]-9-amino-2-[2-(dimethylamino)ethyl]-1H,7H-pyrimido[5,6,1-de]acridine-1,3,7(2H)-trione; 9-Amino-2-(2-(dimethylamino)ethyl)-6-((2-(dimethylamino)ethyl)amino)-1H,7H-pyrimido[5,6,1-de]acridine-1,3,7(2H)-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698960	.	.	.	.	436.5	C23H28N6O3	102	743	1.8	32	2	7	7	"InChI=1S/C23H28N6O3/c1-26(2)10-9-25-17-7-6-15-20-19(17)21(30)16-13-14(24)5-8-18(16)29(20)23(32)28(22(15)31)12-11-27(3)4/h5-8,13,25H,9-12,24H2,1-4H3"	CN(C)CCNC1=C2C3=C(C=C1)C(=O)N(C(=O)N3C4=C(C2=O)C=C(C=C4)N)CCN(C)C	HVGHXUABOZQFRM-UHFFFAOYSA-N
DG58156	"9-Bromo-6-(2-furoyl)-6H-indolo[2,3-b]quinoxaline"	394877	"NSC698968; CHEMBL1979133; NSC-698968; NCI60_035371; 9-Bromo-6-(2-furoyl)-6H-indolo[2,3-b]quinoxaline; (9-bromoindolo[3,2-b]quinoxalin-6-yl)-(2-furyl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698968	.	.	.	.	392.2	C19H10BrN3O2	60.9	533	4.4	25	0	4	1	InChI=1S/C19H10BrN3O2/c20-11-7-8-15-12(10-11)17-18(22-14-5-2-1-4-13(14)21-17)23(15)19(24)16-6-3-9-25-16/h1-10H	C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Br)N(C3=N2)C(=O)C5=CC=CO5	ILWLLMWKPUHVMJ-UHFFFAOYSA-N
DG58157	"9-Bromo-6-(p-tolylsulfonyl)indolo[3,2-b]quinoxaline"	394881	"NSC698972; CHEMBL1975261; NSC-698972; NCI60_035375; 9-bromo-6-(p-tolylsulfonyl)indolo[3,2-b]quinoxaline; 6-(p-Tolylsulfonyl)-9-bromo-6H-indolo[2,3-b]quinoxaline; 9-Bromo-6-((4-methylphenyl)sulfonyl)-6H-indolo[2,3-b]quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698972	.	.	.	.	452.3	C21H14BrN3O2S	73.2	676	5	28	0	4	2	"InChI=1S/C21H14BrN3O2S/c1-13-6-9-15(10-7-13)28(26,27)25-19-11-8-14(22)12-16(19)20-21(25)24-18-5-3-2-4-17(18)23-20/h2-12H,1H3"	CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42	FRTBKOYUODVOMA-UHFFFAOYSA-N
DG58158	"2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-butyl-acetamide"	394884	"NSC698975; CHEMBL1979733; NSC-698975; NCI60_035378; N-Butyl-9-bromo-6H-indolo[2,3-b]quinoxaline-6-acetamide; 2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-butyl-acetamide; 2-(9-Bromo-6H-indolo[2,3-b]quinoxalin-6-yl)-N-butylacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698975	.	.	.	.	411.3	C20H19BrN4O	59.8	504	4.2	26	1	3	5	"InChI=1S/C20H19BrN4O/c1-2-3-10-22-18(26)12-25-17-9-8-13(21)11-14(17)19-20(25)24-16-7-5-4-6-15(16)23-19/h4-9,11H,2-3,10,12H2,1H3,(H,22,26)"	CCCCNC(=O)CN1C2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4N=C31	RYJAEHATAJTDGH-UHFFFAOYSA-N
DG58159	"N-benzyl-2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetamide"	394887	"NSC698978; CHEMBL2005204; N-benzyl-2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetamide; NSC-698978; NCI60_035381; N-Benzyl-9-bromo-6H-indolo[2,3-b]quinoxaline-6-acetamide; N-Benzyl-2-(9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698978	.	.	.	.	445.3	C23H17BrN4O	59.8	583	4.4	29	1	3	4	"InChI=1S/C23H17BrN4O/c24-16-10-11-20-17(12-16)22-23(27-19-9-5-4-8-18(19)26-22)28(20)14-21(29)25-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,29)"	C1=CC=C(C=C1)CNC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42	VUAGFSYOPZXUCQ-UHFFFAOYSA-N
DG58160	"2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)acetohydrazide"	394889	"NSC698980; 2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetohydrazide; CHEMBL1966920; NSC-698980; NCI60_035383; 9-Bromo-6H-indolo[2,3-b]quinoxaline-6-acetic acid hydrazide; 6H-Indolo[2,3-b]quinoxaline-6-acetic acid, 9-bromo-, hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698980	.	.	.	.	370.2	C16H12BrN5O	85.8	464	2.2	23	2	4	2	"InChI=1S/C16H12BrN5O/c17-9-5-6-13-10(7-9)15-16(22(13)8-14(23)21-18)20-12-4-2-1-3-11(12)19-15/h1-7H,8,18H2,(H,21,23)"	C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Br)N(C3=N2)CC(=O)NN	UZPDJKAJPWLMRR-UHFFFAOYSA-N
DG58161	"1-[[2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]amino]-3-cyclohexyl-urea"	394894	"NSC698985; CHEMBL1999529; NSC-698985; NCI60_035388; 1-[[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]amino]-3-cyclohexyl-urea; 2-((9-Bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl)-N-cyclohexylhydrazinecarboxamide; N'-(Cyclohexylaminocarbonyl)-9-bromo-6H-indolo[2,3-b]quinoxaline-6-acetic acid hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698985	.	.	.	.	495.4	C23H23BrN6O2	101	689	4	32	3	4	3	"InChI=1S/C23H23BrN6O2/c24-14-10-11-19-16(12-14)21-22(27-18-9-5-4-8-17(18)26-21)30(19)13-20(31)28-29-23(32)25-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13H2,(H,28,31)(H2,25,29,32)"	C1CCC(CC1)NC(=O)NNC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42	WYTGXEYOXLDKQZ-UHFFFAOYSA-N
DG58162	"3-[(9-bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-cyclohexyl-1H-1,2,4-triazol-5-one"	394895	"NSC698986; CHEMBL1979304; NSC-698986; 3-[(9-bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-cyclohexyl-1H-1,2,4-triazol-5-one; NCI60_035389; 4-Cyclohexyl-5-[(9-bromo-6H-indolo[2,3-b]quinoxaline-6-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-one; 5-((9-Bromo-6H-indolo[2,3-b]quinoxalin-6-yl)methyl)-4-cyclohexyl-2,4-dihydro-3H-1,2,4-triazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698986	.	.	.	.	477.4	C23H21BrN6O	75.4	727	4.8	31	1	4	3	"InChI=1S/C23H21BrN6O/c24-14-10-11-19-16(12-14)21-22(26-18-9-5-4-8-17(18)25-21)29(19)13-20-27-28-23(31)30(20)15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13H2,(H,28,31)"	C1CCC(CC1)N2C(=NNC2=O)CN3C4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6N=C53	BYBLYGQFUXYQTB-UHFFFAOYSA-N
DG58163	"N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide"	394897	"NSC698989; CHEMBL108971; CHEMBL1209038; (3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide; 3mhc; ARZ; Investigational agent, 4; BDBM82103; N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide; BDBM50108563; BDBM50547696; NSC-698989; NCI60_035392; Q27457958; 5-(1-adamantylcarboxamido)-1,3,4-thiadiazole-2-sulfonamide; N-(5-Sulfamoyl-1,3,4-thiadiazole-2-yl)adamantane-1-carboxamide; Adamantane-1-carboxylic acid (5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-amide; N-(5-(Aminosulfonyl)-1,3,4-thiadiazol-2-yl)-1-adamantanecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698989	.	.	.	.	342.4	C13H18N4O3S2	152	547	2.3	22	2	7	3	"InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)"	C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)S(=O)(=O)N	NBKDQESIWDNDOT-UHFFFAOYSA-N
DG58164	"N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide"	394898	"NSC698990; N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide; CHEMBL281376; 86029-44-9; N-(2-sulfamoyl-1,3,4-thiadiazol-5-yl)benzamide; VGV; SCHEMBL9795960; BDBM16669; DTXSID30327878; Benzamide, N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]-; ZINC5925092; heterocyclic sulfonamide compound 34; NSC-698990; NCI60_035393; 2-benzoylamino-1,3,4-thiadiazole 5-sulfonamide; N-(5-Sulfamoyl-1,3,4-thiadiazole-2-yl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698990	.	.	.	.	284.3	C9H8N4O3S2	152	403	1.4	18	2	7	3	"InChI=1S/C9H8N4O3S2/c10-18(15,16)9-13-12-8(17-9)11-7(14)6-4-2-1-3-5-6/h1-5H,(H2,10,15,16)(H,11,12,14)"	C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)N	PMNNJWNEWDGYIV-UHFFFAOYSA-N
DG58165	"p-tolylsulfonyl N,N-diethylcarbamodithioate"	394909	"NSC699002; CHEMBL1975166; NSC-699002; NCI60_035405; p-tolylsulfonyl N,N-diethylcarbamodithioate; Diethyldithiocarbamic acid p-methylphenylsulfonyl ester; Benzenesulfonothioic acid, 4-methyl-, S-[(diethylamino)thioxomethyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699002	.	.	.	.	303.5	C12H17NO2S3	103	363	3.1	18	0	4	5	"InChI=1S/C12H17NO2S3/c1-4-13(5-2)12(16)17-18(14,15)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3"	CCN(CC)C(=S)SS(=O)(=O)C1=CC=C(C=C1)C	OBOBTFMASQIACX-UHFFFAOYSA-N
DG58166	"(4-acetamidophenyl)sulfonyl N,N-diethylcarbamodithioate"	394910	"NSC699003; CHEMBL54388; (4-acetamidophenyl)sulfonyl N,N-diethylcarbamodithioate; NSC-699003; NCI60_035406; Diethyldithiocarbamic acid 4-(acetylamino)phenylsulfonyl ester; S-[(diethylamino)carbonothioyl]4-(acetylamino)benzenesulfonothioate; Benzenesulfonothioic acid, 4-(acetylamino)-, S-[(diethylamino)thioxomethyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699003	.	.	.	.	346.5	C13H18N2O3S3	132	462	1.9	21	1	5	6	"InChI=1S/C13H18N2O3S3/c1-4-15(5-2)13(19)20-21(17,18)12-8-6-11(7-9-12)14-10(3)16/h6-9H,4-5H2,1-3H3,(H,14,16)"	CCN(CC)C(=S)SS(=O)(=O)C1=CC=C(C=C1)NC(=O)C	ISFCOLWZYBBINM-UHFFFAOYSA-N
DG58167	"(4-aminophenyl)sulfonyl N,N-diethylcarbamodithioate"	394911	"NSC699004; (4-aminophenyl)sulfonyl N,N-diethylcarbamodithioate; CHEMBL55509; NSC-699004; NCI60_035407; Diethyldithiocarbamic acid 4-aminophenylsulfonyl ester; S-[(diethylamino)carbonothioyl]4-aminobenzenesulfonothioate; Benzenesulfonothioic acid, 4-amino-, S-[(diethylamino)thioxomethyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699004	.	.	.	.	304.5	C11H16N2O2S3	129	366	2	18	1	5	5	"InChI=1S/C11H16N2O2S3/c1-3-13(4-2)11(16)17-18(14,15)10-7-5-9(12)6-8-10/h5-8H,3-4,12H2,1-2H3"	CCN(CC)C(=S)SS(=O)(=O)C1=CC=C(C=C1)N	JJRMLQGZHYPBNG-UHFFFAOYSA-N
DG58168	"(4-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate"	394913	"NSC699006; (4-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate; CHEMBL291716; NSC-699006; NCI60_035409; Diethyldithiocarbamic acid 4-nitrophenylsulfonyl ester; S-[(diethylamino)carbonothioyl]4-nitrobenzenesulfonothioate; Benzenesulfonothioic acid, 4-nitro-, S-[(diethylamino)thioxomethyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699006	.	.	.	.	334.4	C11H14N2O4S3	149	443	2.6	20	0	6	5	"InChI=1S/C11H14N2O4S3/c1-3-12(4-2)11(18)19-20(16,17)10-7-5-9(6-8-10)13(14)15/h5-8H,3-4H2,1-2H3"	CCN(CC)C(=S)SS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]	ASQJUHPOWYCHGI-UHFFFAOYSA-N
DG58169	"(2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate"	394914	"NSC699007; (2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate; CHEMBL298919; DTXSID00327880; ACT09032; NSC-699007; NCI60_035410; Diethyldithiocarbamic acid 2-nitrophenylsulfonyl ester; S-[(diethylamino)carbonothioyl]2-nitrobenzenesulfonothioate; Benzenesulfonothioic acid, 2-nitro-, S-[(diethylamino)thioxomethyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699007	.	.	.	.	334.4	C11H14N2O4S3	149	451	2.6	20	0	6	5	"InChI=1S/C11H14N2O4S3/c1-3-12(4-2)11(18)19-20(16,17)10-8-6-5-7-9(10)13(14)15/h5-8H,3-4H2,1-2H3"	CCN(CC)C(=S)SS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	GFRUXBKTCIYXAD-UHFFFAOYSA-N
DG58170	2-(Diethylcarbamothioylsulfanylsulfonyl)benzoic acid	394915	"NSC699008; 2-(diethylcarbamothioylsulfanylsulfonyl)benzoic acid; CHEMBL56766; NSC-699008; NCI60_035411; 2-({[(diethylamino)carbonothioyl]thio}sulfonyl)benzoic acid; Benzoic acid, 2-[[[(diethylamino)thioxomethyl]thio]sulfonyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699008	.	.	.	.	333.5	C12H15NO4S3	140	454	2.3	20	1	6	6	"InChI=1S/C12H15NO4S3/c1-3-13(4-2)12(18)19-20(16,17)10-8-6-5-7-9(10)11(14)15/h5-8H,3-4H2,1-2H3,(H,14,15)"	CCN(CC)C(=S)SS(=O)(=O)C1=CC=CC=C1C(=O)O	VTOARZRCEHQXJY-UHFFFAOYSA-N
DG58171	"(4-chlorophenyl)sulfonyl N,N-diethylcarbamodithioate"	394916	"NSC699009; (4-chlorophenyl)sulfonyl N,N-diethylcarbamodithioate; CHEMBL2002239; NSC-699009; NCI60_035412; Diethyldithiocarbamic acid p-chlorophenylsulfonyl ester; Benzenesulfonothioic acid, 4-chloro-, S-[(diethylamino)thioxomethyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699009	.	.	.	.	323.9	C11H14ClNO2S3	103	368	3.4	18	0	4	5	"InChI=1S/C11H14ClNO2S3/c1-3-13(4-2)11(16)17-18(14,15)10-7-5-9(12)6-8-10/h5-8H,3-4H2,1-2H3"	CCN(CC)C(=S)SS(=O)(=O)C1=CC=C(C=C1)Cl	BAVMTXFKKCMJJS-UHFFFAOYSA-N
DG58172	"(4-fluorophenyl)sulfonyl N,N-diethylcarbamodithioate"	394917	"NSC699010; (4-fluorophenyl)sulfonyl N,N-diethylcarbamodithioate; CHEMBL1976595; NSC-699010; NCI60_035413; Diethyldithiocarbamic acid p-fluorophenylsulfonyl ester; Benzenesulfonothioic acid, 4-fluoro-, S-[(diethylamino)thioxomethyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699010	.	.	.	.	307.4	C11H14FNO2S3	103	368	2.8	18	0	5	5	"InChI=1S/C11H14FNO2S3/c1-3-13(4-2)11(16)17-18(14,15)10-7-5-9(12)6-8-10/h5-8H,3-4H2,1-2H3"	CCN(CC)C(=S)SS(=O)(=O)C1=CC=C(C=C1)F	ODNCYLCIRQTIQM-UHFFFAOYSA-N
DG58173	"[2-(4-sulfamoylphenyl)ethylamino] N,N-diethylcarbamodithioate"	394918	"NSC699011; CHEMBL1994206; [2-(4-sulfamoylphenyl)ethylamino] N,N-diethylcarbamodithioate; NSC-699011; NCI60_035414; 1-(Aminosulfonyl)-4-(2-((((diethylamino)carbothioyl)thio)amino)ethyl)benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699011	.	.	.	.	347.5	C13H21N3O2S3	141	411	1.9	21	2	6	8	"InChI=1S/C13H21N3O2S3/c1-3-16(4-2)13(19)20-15-10-9-11-5-7-12(8-6-11)21(14,17)18/h5-8,15H,3-4,9-10H2,1-2H3,(H2,14,17,18)"	CCN(CC)C(=S)SNCCC1=CC=C(C=C1)S(=O)(=O)N	UKLPMQVFCVWYIA-UHFFFAOYSA-N
DG58174	"1-Methyl-5-phenyl-7-(trifluoromethyl)[1,3]oxazolo[5,4-b]pyridin-2(1H)-one"	394921	"NSC699022; CHEMBL1969991; 1-Methyl-5-phenyl-7-(trifluoromethyl)[1,3]oxazolo[5,4-b]pyridin-2(1H)-one; NSC-699022; NCI60_035417; 1-methyl-5-phenyl-7-(trifluoromethyl)oxazolo[5,4-b]pyridin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699022	.	.	.	.	294.23	C14H9F3N2O2	42.4	410	3.1	21	0	6	1	"InChI=1S/C14H9F3N2O2/c1-19-11-9(14(15,16)17)7-10(8-5-3-2-4-6-8)18-12(11)21-13(19)20/h2-7H,1H3"	CN1C2=C(N=C(C=C2C(F)(F)F)C3=CC=CC=C3)OC1=O	XJKKMCNMEYTIGT-UHFFFAOYSA-N
DG58175	"2-Methoxy-6-[(2-methyl-4-nitro-imidazol-1-yl)methyl]tetrahydropyran-3,4,5-triol"	394934	"NSC699034; CHEMBL1990941; ZINC04633723; NSC-699034; 2-methoxy-6-[(2-methyl-4-nitro-imidazol-1-yl)methyl]tetrahydropyran-3,4,5-triol; NCI60_035429; Methyl 6-deoxy-6-(4-(hydroxy(oxido)amino)-2-methyl-1H-imidazol-1-yl)hexopyranoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699034	.	.	.	.	303.27	C11H17N3O7	143	379	-1.6	21	3	8	3	"InChI=1S/C11H17N3O7/c1-5-12-7(14(18)19)4-13(5)3-6-8(15)9(16)10(17)11(20-2)21-6/h4,6,8-11,15-17H,3H2,1-2H3"	CC1=NC(=CN1CC2C(C(C(C(O2)OC)O)O)O)[N+](=O)[O-]	KXJFFDBLAAAJLX-UHFFFAOYSA-N
DG58176	5-Acetoxypalisadin B	395002	"NSC699123; 5-Acetoxypalisadin B; CHEMBL1987831; NSC-699123; NCI60_035486; 1-Benzoxepin-5-ol,5,5a,6,7,8,9,9a -octahydro-3,6,6,9a-tetramethyl-, acetate, [2R-(2.alpha.,5.alpha.,5a.beta.,7.alpha.,9a.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699123	.	.	.	.	438.2	C17H26Br2O3	35.5	475	4	22	0	3	3	"InChI=1S/C17H26Br2O3/c1-10-8-12(21-11(2)20)15-16(3,4)14(19)6-7-17(15,5)22-13(10)9-18/h8,12-15H,6-7,9H2,1-5H3/t12-,13+,14+,15+,17+/m1/s1"	CC1=C[C@H]([C@@H]2[C@](CC[C@@H](C2(C)C)Br)(O[C@H]1CBr)C)OC(=O)C	SHAOOENYDOJZIP-MDLJMBGESA-N
DG58177	5-amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide	395006	NSC699145; CHEMBL1998708; SCHEMBL19453004; NSC-699145; NCI60_035491	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699145	.	.	.	.	432.5	C24H28N6O2	119	656	3	32	5	4	8	"InChI=1S/C24H28N6O2/c1-3-30(4-2)10-9-26-23(31)21-14-16-12-18(6-8-20(16)28-21)27-24(32)22-13-15-11-17(25)5-7-19(15)29-22/h5-8,11-14,28-29H,3-4,9-10,25H2,1-2H3,(H,26,31)(H,27,32)"	CCN(CC)CCNC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)N	GWJAQCRMEGDZPA-UHFFFAOYSA-N
DG58178	NSC699186	395025	"Ethyl 5-cyano-4-(3-hydroxy-4-methoxy-phenyl)-2-phenyl-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate; NSC699186; CHEMBL1985626; NSC-699186; NCI60_035519; 3-Pyridinecarboxylic acid, 5-cyano-1-hexopyranosyl-1,6-dihydro-4-(3-hydroxy-4-methoxyphenyl)-2-phenyl-6-thioxo-, ethyl ester; ethyl 5-cyano-4-(3-hydroxy-4-methoxy-phenyl)-2-phenyl-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699186	.	.	.	.	568.6	C28H28N2O9S	205	1080	1.2	40	5	11	8	"InChI=1S/C28H28N2O9S/c1-3-38-28(36)21-20(15-9-10-18(37-2)17(32)11-15)16(12-29)27(40)30(22(21)14-7-5-4-6-8-14)26-25(35)24(34)23(33)19(13-31)39-26/h4-11,19,23-26,31-35H,3,13H2,1-2H3"	CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC(=C(C=C2)OC)O)C#N)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4	CYDULLCXXMATIE-UHFFFAOYSA-N
DG58179	NSC699188	395026	"5-cyano-4-(4-methoxyphenyl)-N,2-diphenyl-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxamide; NSC699188; CHEMBL1980666; ZINC05939699; NSC-699188; NCI60_035521; 3-Pyridinecarboxamide, 5-cyano-1-hexopyranosyl-1,6-dihydro-4-(4-methoxyphenyl)-N,2-diphenyl-6-thioxo-; 5-cyano-4-(4-methoxyphenyl)-N,2-diphenyl-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699188	.	.	.	.	599.7	C32H29N3O7S	188	1140	2.1	43	5	9	7	"InChI=1S/C32H29N3O7S/c1-41-21-14-12-18(13-15-21)24-22(16-33)32(43)35(31-29(39)28(38)27(37)23(17-36)42-31)26(19-8-4-2-5-9-19)25(24)30(40)34-20-10-6-3-7-11-20/h2-15,23,27-29,31,36-39H,17H2,1H3,(H,34,40)"	COC1=CC=C(C=C1)C2=C(C(=S)N(C(=C2C(=O)NC3=CC=CC=C3)C4=CC=CC=C4)C5C(C(C(C(O5)CO)O)O)O)C#N	REDRMMISQRFKBZ-UHFFFAOYSA-N
DG58180	NSC699191	395029	"7-methoxy-N-[2-[2-[(7-methoxy-1-methyl-benzo[g]indole-3-carbonyl)amino]ethyl-methyl-amino]ethyl]-1-methyl-benzo[g]indole-3-carboxamide; NSC699191; CHEMBL2000663; NSC-699191; NCI60_035524; N,N'-[(Methylimino)bis(ethylene)]bis(1-methyl-7-methoxy-1H-benzo[g]indole-3-carboxamide); 7-Methoxy-N-(2-((2-(((7-methoxy-1-methyl-1H-benzo[g]indol-3-yl)carbonyl)amino)ethyl)(methyl)amino)ethyl)-1-methyl-1H-benzo[g]indole-3-carboxamide; 7-methoxy-N-[2-[2-[(7-methoxy-1-methyl-benzo[g]indole-3-carbonyl)amino]ethyl-methyl-amino]ethyl]-1-methyl-benzo[g]indole-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699191	.	.	.	.	591.7	C35H37N5O4	89.8	922	4.8	44	2	5	10	"InChI=1S/C35H37N5O4/c1-38(16-14-36-34(41)30-20-39(2)32-26-12-8-24(43-4)18-22(26)6-10-28(30)32)17-15-37-35(42)31-21-40(3)33-27-13-9-25(44-5)19-23(27)7-11-29(31)33/h6-13,18-21H,14-17H2,1-5H3,(H,36,41)(H,37,42)"	CN1C=C(C2=C1C3=C(C=C2)C=C(C=C3)OC)C(=O)NCCN(C)CCNC(=O)C4=CN(C5=C4C=CC6=C5C=CC(=C6)OC)C	ANSOMLSHMKCSIY-UHFFFAOYSA-N
DG58181	NSC699192	395030	"7-methoxy-N-[3-[3-[(7-methoxy-1-methyl-benzo[g]indole-3-carbonyl)amino]propyl-methyl-amino]propyl]-1-methyl-benzo[g]indole-3-carboxamide; NSC699192; CHEMBL1974849; NSC-699192; NCI60_035525; 7-Methoxy-N-(3-((3-(((7-methoxy-1-methyl-1H-benzo[g]indol-3-yl)carbonyl)amino)propyl)(methyl)amino)propyl)-1-methyl-1H-benzo[g]indole-3-carboxamide; 7-methoxy-N-[3-[3-[(7-methoxy-1-methyl-benzo[g]indole-3-carbonyl)amino]propyl-methyl-amino]propyl]-1-methyl-benzo[g]indole-3-carboxamide; N,N'-[(Methylimino)bis(trimethylene)]bis(1-methyl-7-methoxy-1H-benzo[g]indole-3-carboxamide)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699192	.	.	.	.	619.8	C37H41N5O4	89.8	952	5.5	46	2	5	12	"InChI=1S/C37H41N5O4/c1-40(18-6-16-38-36(43)32-22-41(2)34-28-14-10-26(45-4)20-24(28)8-12-30(32)34)19-7-17-39-37(44)33-23-42(3)35-29-15-11-27(46-5)21-25(29)9-13-31(33)35/h8-15,20-23H,6-7,16-19H2,1-5H3,(H,38,43)(H,39,44)"	CN1C=C(C2=C1C3=C(C=C2)C=C(C=C3)OC)C(=O)NCCCN(C)CCCNC(=O)C4=CN(C5=C4C=CC6=C5C=CC(=C6)OC)C	RBSJGTGRXKVMCE-UHFFFAOYSA-N
DG58182	"6,7-Dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile"	395037	"NSC699221; 6,7-dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile; CHEMBL1977298; NSC-699221; NCI60_035531; 2-Quinoxalinecarbonitrile, 6,7-dimethyl-3-[4-(4-nitrophenyl)-1-piperazinyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699221	.	.	.	.	388.4	C21H20N6O2	102	629	3.9	29	0	7	2	"InChI=1S/C21H20N6O2/c1-14-11-18-19(12-15(14)2)24-21(20(13-22)23-18)26-9-7-25(8-10-26)16-3-5-17(6-4-16)27(28)29/h3-6,11-12H,7-10H2,1-2H3"	CC1=CC2=C(C=C1C)N=C(C(=N2)C#N)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]	LLXVMAZTEPNSQR-UHFFFAOYSA-N
DG58183	"7-(4-Nitrophenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile"	395038	"NSC699222; CHEMBL1989421; NSC-699222; NCI60_035532; 1,4-dioxide of 7-(4'-nitrophenyl)-3-[4'-(4''-nitrophenyl)-1'-piperazinyl]-2-quinoxalinacarbonitrile; 1,4-Dioxide of 7-(4'-nitrophenyl)-3-[4'-(4-nitrophenyl)-1'-piperazinyl]-2-quinoxalinacarbonitrile; 7-(4-nitrophenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699222	.	.	.	.	513.5	C25H19N7O6	168	1010	3.3	38	0	10	3	"InChI=1S/C25H19N7O6/c26-16-24-25(28-13-11-27(12-14-28)19-6-8-21(9-7-19)32(37)38)30(34)22-10-3-18(15-23(22)29(24)33)17-1-4-20(5-2-17)31(35)36/h1-10,15H,11-14H2"	C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N(C4=C([N+]3=O)C=CC(=C4)C5=CC=C(C=C5)[N+](=O)[O-])[O-])C#N	RTTAPOMHRJGSIR-UHFFFAOYSA-N
DG58184	"2-Benzylsulfonyl-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole"	395049	"NSC699234; CHEMBL1976838; 2-benzylsulfonyl-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole; NSC-699234; NCI60_035543; 2-(Benzylsulfonyl)-5-((4-methoxyphenyl)sulfonyl)-1,3,4-thiadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699234	.	.	.	.	410.5	C16H14N2O5S3	148	657	2.5	26	0	8	6	"InChI=1S/C16H14N2O5S3/c1-23-13-7-9-14(10-8-13)26(21,22)16-18-17-15(24-16)25(19,20)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3"	COC1=CC=C(C=C1)S(=O)(=O)C2=NN=C(S2)S(=O)(=O)CC3=CC=CC=C3	SZMSUBIMJJZYKA-UHFFFAOYSA-N
DG58185	1-(Benzyloxymethyl)-5-(4-bromophenylamino)uracil	395053	"NSC699241; CHEMBL1998802; ZINC01861250; NSC-699241; NCI60_035548; 1-(Benzyloxymethyl)-5-(4-bromophenylamino)uracil; 1-(benzyloxymethyl)-5-(4-bromoanilino)pyrimidine-2,4-dione; 1-((Benzyloxy)methyl)-5-(4-bromoanilino)-2,4(1H,3H)-pyrimidinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699241	.	.	.	.	402.2	C18H16BrN3O3	70.7	512	3.1	25	2	4	6	"InChI=1S/C18H16BrN3O3/c19-14-6-8-15(9-7-14)20-16-10-22(18(24)21-17(16)23)12-25-11-13-4-2-1-3-5-13/h1-10,20H,11-12H2,(H,21,23,24)"	C1=CC=C(C=C1)COCN2C=C(C(=O)NC2=O)NC3=CC=C(C=C3)Br	IIYUEPBHFDWZFO-UHFFFAOYSA-N
DG58186	1-(2-Phenoxyethyl)-5-(phenylamino)uracil	395054	"NSC699243; 1-(2-Phenoxyethyl)-5-(phenylamino)uracil; 5-anilino-1-(2-phenoxyethyl)pyrimidine-2,4-dione; CHEMBL1968511; NSC-699243; NCI60_035549; 5-Anilino-1-(2-phenoxyethyl)-2,4(1H,3H)-pyrimidinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699243	.	.	.	.	323.3	C18H17N3O3	70.7	480	2.6	24	2	4	6	"InChI=1S/C18H17N3O3/c22-17-16(19-14-7-3-1-4-8-14)13-21(18(23)20-17)11-12-24-15-9-5-2-6-10-15/h1-10,13,19H,11-12H2,(H,20,22,23)"	C1=CC=C(C=C1)NC2=CN(C(=O)NC2=O)CCOC3=CC=CC=C3	AQOGJODFUGMEFN-UHFFFAOYSA-N
DG58187	"5-(2-Methylanilino)-1,3-bis(2-phenoxyethyl)pyrimidine-2,4-dione"	395056	"NSC699245; CHEMBL1994912; 5-(2-methylanilino)-1,3-bis(2-phenoxyethyl)pyrimidine-2,4-dione; NSC-699245; NCI60_035551; 1,3-di(2-phenoxyethyl)-5-(o-methylphenylamino)uracil; 1,3-Di(2-phenoxyethyl)-5-(2-methylphenylamino)uracil; 1,3-Bis(2-phenoxyethyl)-5-(2-toluidino)-2,4(1H,3H)-pyrimidinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699245	.	.	.	.	457.5	C27H27N3O4	71.1	700	4.8	34	1	5	10	"InChI=1S/C27H27N3O4/c1-21-10-8-9-15-24(21)28-25-20-29(16-18-33-22-11-4-2-5-12-22)27(32)30(26(25)31)17-19-34-23-13-6-3-7-14-23/h2-15,20,28H,16-19H2,1H3"	CC1=CC=CC=C1NC2=CN(C(=O)N(C2=O)CCOC3=CC=CC=C3)CCOC4=CC=CC=C4	JTRDAAUWAHJVSQ-UHFFFAOYSA-N
DG58188	"5-(3-Methylanilino)-1-(2-phenoxyethyl)pyrimidine-2,4-dione"	395057	"NSC699246; CHEMBL1997826; SCHEMBL19410812; 5-(3-methylanilino)-1-(2-phenoxyethyl)pyrimidine-2,4-dione; NSC-699246; NCI60_035552; 1-(2-Phenoxyethyl)-5-(3-methylphenylamino)uracil; 1-(2-Phenoxyethyl)-5-(3-toluidino)-2,4(1H,3H)-pyrimidinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699246	.	.	.	.	337.4	C19H19N3O3	70.7	514	3	25	2	4	6	"InChI=1S/C19H19N3O3/c1-14-6-5-7-15(12-14)20-17-13-22(19(24)21-18(17)23)10-11-25-16-8-3-2-4-9-16/h2-9,12-13,20H,10-11H2,1H3,(H,21,23,24)"	CC1=CC(=CC=C1)NC2=CN(C(=O)NC2=O)CCOC3=CC=CC=C3	IQIGZIXMRTXMAB-UHFFFAOYSA-N
DG58189	"5-(3-Methylanilino)-1,3-bis(2-phenoxyethyl)pyrimidine-2,4-dione"	395058	"NSC699247; CHEMBL1988404; 5-(3-methylanilino)-1,3-bis(2-phenoxyethyl)pyrimidine-2,4-dione; NSC-699247; NCI60_035553; 1,3-Di(2-phenoxyethyl)-5-(3-methylphenylamino)uracil; 1,3-Bis(2-phenoxyethyl)-5-(3-toluidino)-2,4(1H,3H)-pyrimidinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699247	.	.	.	.	457.5	C27H27N3O4	71.1	700	4.8	34	1	5	10	"InChI=1S/C27H27N3O4/c1-21-9-8-10-22(19-21)28-25-20-29(15-17-33-23-11-4-2-5-12-23)27(32)30(26(25)31)16-18-34-24-13-6-3-7-14-24/h2-14,19-20,28H,15-18H2,1H3"	CC1=CC(=CC=C1)NC2=CN(C(=O)N(C2=O)CCOC3=CC=CC=C3)CCOC4=CC=CC=C4	OGAHEIVYTBLGBU-UHFFFAOYSA-N
DG58190	"Methyl 2-methyl-1,3-dioxooctahydropyrrolo[1,2-c]pyrimidine-4-carboxylate"	395092	"NSC699384; CHEMBL1965807; Methyl 2-methyl-1,3-dioxooctahydropyrrolo[1,2-c]pyrimidine-4-carboxylate; NSC-699384; methyl 2-methyl-1,3-dioxo-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-4-carboxylate; NCI60_035563"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699384	.	.	.	.	226.23	C10H14N2O4	66.9	355	-0.1	16	0	4	2	"InChI=1S/C10H14N2O4/c1-11-8(13)7(9(14)16-2)6-4-3-5-12(6)10(11)15/h6-7H,3-5H2,1-2H3"	CN1C(=O)C(C2CCCN2C1=O)C(=O)OC	QSMPDBDYSZQXAG-UHFFFAOYSA-N
DG58191	"2-Methyltetrahydropyrrolo[1,2-c]pyrimidine-1,3(2H,4H)-dione"	395093	"NSC699385; 2-Methyltetrahydropyrrolo[1,2-c]pyrimidine-1,3(2H,4H)-dione; CHEMBL1978349; 2-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione; AKOS020889154; NSC-699385; NCI60_035564; 2-methyl-4,4a,5,6,7,8-hexahydro-pyrrolo[2,1-f]pyrimidine-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699385	.	.	.	.	168.19	C8H12N2O2	40.6	239	-0.2	12	0	2	0	"InChI=1S/C8H12N2O2/c1-9-7(11)5-6-3-2-4-10(6)8(9)12/h6H,2-5H2,1H3"	CN1C(=O)CC2CCCN2C1=O	UZHWLELZRGGRGV-UHFFFAOYSA-N
DG58192	"1'-(2-Trimethylsilylethoxymethyl)-1-[tri(propan-2-yl)silylmethyl]spiro[cyclohexene-6,3'-indole]-2'-one"	395110	"NSC699400; CHEMBL1997841; NSC-699400; NCI60_035579; 1-(triisopropylsilylmethyl)-1'-(2-trimethylsilylethoxymethyl)spiro[cyclohexene-6,3'-indoline]-2'-one; Spiro[cyclohex-2-ene-1,3'-[3H]indol]-2'(1'H)-one, 1'-[[2-(trimethylsilyl)ethoxy]methyl]-2-[[tris(1-methylethyl)silyl]methyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699400	.	.	.	.	499.9	C29H49NO2Si2	29.5	717	.	34	0	2	10	"InChI=1S/C29H49NO2Si2/c1-22(2)34(23(3)4,24(5)6)20-25-14-12-13-17-29(25)26-15-10-11-16-27(26)30(28(29)31)21-32-18-19-33(7,8)9/h10-11,14-16,22-24H,12-13,17-21H2,1-9H3"	CC(C)[Si](CC1=CCCCC12C3=CC=CC=C3N(C2=O)COCC[Si](C)(C)C)(C(C)C)C(C)C	OXLVWSUWNROLTL-UHFFFAOYSA-N
DG58193	N-(2-chlorophenyl)-2-triisopropylsilyloxy-cycloheptene-1-carboxamide	395115	NSC699405; CHEMBL1993622; NSC-699405; NCI60_035584; N-(2-chlorophenyl)-2-triisopropylsilyloxy-cycloheptene-1-carboxamide; N-(2-Chlorophenyl)-2-((triisopropylsilyl)oxy)-1-cycloheptene-1-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699405	.	.	.	.	422.1	C23H36ClNO2Si	38.3	537	.	28	1	2	7	"InChI=1S/C23H36ClNO2Si/c1-16(2)28(17(3)4,18(5)6)27-22-15-9-7-8-12-19(22)23(26)25-21-14-11-10-13-20(21)24/h10-11,13-14,16-18H,7-9,12,15H2,1-6H3,(H,25,26)"	CC(C)[Si](C(C)C)(C(C)C)OC1=C(CCCCC1)C(=O)NC2=CC=CC=C2Cl	PTOFASSHHGOKGZ-UHFFFAOYSA-N
DG58194	"(4R,5R)-(-)-4,5-Bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane"	395120	"32305-98-9; (-)-Diop; (R,R)-Diop; rac-diop; UNII-ESK57W53CI; (4R,5R)-(-)-4,5-Bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane; (((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene))bis(diphenylphosphine); (-)-2,3-O-Isopropylidene-2,3-dihydroxy-1,4-bis(diphenylphosphino)butane; ESK57W53CI; (2R,3R)-(-)-1,4-Bis(diphenylphosphino)-2,3-O-isopropylidene-2,3-butanediol; [(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane; MFCD00014107; EINECS 250-984-2; NSC699410; SCHEMBL28641; CHEMBL1972182; (-)-2,2-Dimethyl-4,5-((diphenylphosphino)dimethyl)dioxolane; ZINC6844878; 4,5-Bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane, (R,R)-; AKOS016015454; CS-W011502; NSC-699410; SC11345; AS-73957; BP-12257; NCI60_035589; T70771; A821227; J-018698; Q27277348; (-)-23-O-Isopropylidene-23-dihydroxy-14-bis(diphenylphosphino); (R,R)-4,5-bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane; (-)-2,3-o-Isopropylidene-2,3-dihydroxy-1,4-bis (diphenylphosphino)butane; (4R,5R)-(-)-Bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane; ((4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene)bis(diphenylphosphine); (-)-2,3-O-Isopropylidene-2,3-dihydroxy-1,4-bis(diphenylphosphino)butane, 98%; (2R,3R)-(-)-2,3-O-Isopropylidene-2,3-dihydroxy-1,4-bis(diphenylphosphino)butane; {[(4R,5R)-5-[(diphenylphosphanyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}diphenylphosphane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699410	.	.	.	.	498.5	C31H32O2P2	18.5	528	6.2	35	0	2	8	"InChI=1S/C31H32O2P2/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30H,23-24H2,1-2H3/t29-,30-/m0/s1"	CC1(O[C@H]([C@@H](O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C	VCHDBLPQYJAQSQ-KYJUHHDHSA-N
DG58195	"2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-4-(2-iodophenyl)-1-butanol"	395122	"NSC699413; 2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-4-(2-iodophenyl)-1-butanol; CHEMBL1977351; 2-(1,4-dioxaspiro[4.5]dec-8-en-8-yl)-4-(2-iodophenyl)butan-1-ol; NSC-699413; NCI60_035592"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699413	.	.	.	.	414.3	C18H23IO3	38.7	390	3.1	22	1	3	5	"InChI=1S/C18H23IO3/c19-17-4-2-1-3-15(17)5-6-16(13-20)14-7-9-18(10-8-14)21-11-12-22-18/h1-4,7,16,20H,5-6,8-13H2"	C1CC2(CC=C1C(CCC3=CC=CC=C3I)CO)OCCO2	ZZWADSABOYPTSV-UHFFFAOYSA-N
DG58196	"Methyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4-(2-iodophenyl)butanoate"	395124	"NSC699415; CHEMBL1987249; Methyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4-(2-iodophenyl)butanoate; methyl 2-(1,4-dioxaspiro[4.5]dec-8-en-8-yl)-4-(2-iodophenyl)butanoate; NSC-699415; NCI60_035594"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699415	.	.	.	.	442.3	C19H23IO4	44.8	470	3.5	24	0	4	6	"InChI=1S/C19H23IO4/c1-22-18(21)16(7-6-15-4-2-3-5-17(15)20)14-8-10-19(11-9-14)23-12-13-24-19/h2-5,8,16H,6-7,9-13H2,1H3"	COC(=O)C(CCC1=CC=CC=C1I)C2=CCC3(CC2)OCCO3	ULQAGRMDQCLWAC-UHFFFAOYSA-N
DG58197	"Benzyl benzyl(2-(2-(benzyloxy)-4-ethyl-3,4-dihydroxycyclopentyl)ethyl)carbamate"	395126	"NSC699417; CHEMBL1981586; NSC-699417; NCI60_035596; Benzyl benzyl(2-(2-(benzyloxy)-4-ethyl-3,4-dihydroxycyclopentyl)ethyl)carbamate; benzyl N-benzyl-N-[2-(2-benzyloxy-4-ethyl-3,4-dihydroxy-cyclopentyl)ethyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699417	.	.	.	.	503.6	C31H37NO5	79.2	671	4.7	37	2	5	12	"InChI=1S/C31H37NO5/c1-2-31(35)20-27(28(29(31)33)36-22-25-14-8-4-9-15-25)18-19-32(21-24-12-6-3-7-13-24)30(34)37-23-26-16-10-5-11-17-26/h3-17,27-29,33,35H,2,18-23H2,1H3"	CCC1(CC(C(C1O)OCC2=CC=CC=C2)CCN(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)O	SVQGFDBDSKMWAI-UHFFFAOYSA-N
DG58198	"5-Ethyl-5,6-dihydroxyhexahydro-2H-cyclopenta[b]furan-2-one"	395127	"NSC699418; CHEMBL1966465; 5-Ethyl-5,6-dihydroxyhexahydro-2H-cyclopenta[b]furan-2-one; 5-ethyl-5,6-dihydroxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one; NSC-699418; NCI60_035597"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699418	.	.	.	.	186.2	C9H14O4	66.8	240	-0.2	13	2	4	1	"InChI=1S/C9H14O4/c1-2-9(12)4-5-3-6(10)13-7(5)8(9)11/h5,7-8,11-12H,2-4H2,1H3"	CCC1(CC2CC(=O)OC2C1O)O	OGRVWFVCTSPZKH-UHFFFAOYSA-N
DG58199	"dimethyl 1-(dimethylcarbamothioyl)-6-methoxy-1H-isothiochromene-3,4-dicarboxylate"	395135	"NSC699426; dimethyl 1-(dimethylcarbamothioyl)-6-methoxy-1H-isothiochromene-3,4-dicarboxylate; CHEMBL1972609; NSC-699426; NCI60_035605; Dimethyl 1-((dimethylamino)carbothioyl)-6-methoxy-1H-isothiochromene-3,4-dicarboxylate; 1-(Dimethylthiocarbamoyl)-6-methoxy-1H-2-benzothiopyran-3,4-dicarboxylic acid dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699426	.	.	.	.	381.5	C17H19NO5S2	123	590	2.4	25	0	7	6	"InChI=1S/C17H19NO5S2/c1-18(2)15(24)13-10-7-6-9(21-3)8-11(10)12(16(19)22-4)14(25-13)17(20)23-5/h6-8,13H,1-5H3"	CN(C)C(=S)C1C2=C(C=C(C=C2)OC)C(=C(S1)C(=O)OC)C(=O)OC	DEKUESWYQJAQCF-UHFFFAOYSA-N
DG58200	"3,5-Bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzonitrile"	395140	"NSC699431; 3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzonitrile; 3,5-Bis(5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl)benzonitrile; CHEMBL2006950; NSC-699431; NCI60_035610"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699431	.	.	.	.	503.6	C31H29N5O2	102	767	7.3	38	0	7	6	"InChI=1S/C31H29N5O2/c1-30(2,3)24-11-7-20(8-12-24)26-33-35-28(37-26)22-15-19(18-32)16-23(17-22)29-36-34-27(38-29)21-9-13-25(14-10-21)31(4,5)6/h7-17H,1-6H3"	CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC(=C3)C#N)C4=NN=C(O4)C5=CC=C(C=C5)C(C)(C)C	DYWOLUNDCJMYNF-UHFFFAOYSA-N
DG58201	4-(4-Hydroxyphenyl)-7-methoxy-3-phenoxy-2H-chromen-2-one	395147	NSC699447; SCHEMBL6823816; CHEMBL1980963; 4-(4-Hydroxyphenyl)-7-methoxy-3-phenoxy-2H-chromen-2-one; NSC-699447; NCI60_035617; 4-(4-hydroxyphenyl)-7-methoxy-3-phenoxy-chromen-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699447	.	.	.	.	360.4	C22H16O5	65	557	4.4	27	1	5	4	"InChI=1S/C22H16O5/c1-25-17-11-12-18-19(13-17)27-22(24)21(26-16-5-3-2-4-6-16)20(18)14-7-9-15(23)10-8-14/h2-13,23H,1H3"	COC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3=CC=CC=C3)C4=CC=C(C=C4)O	ZZYATZWOTZISSC-UHFFFAOYSA-N
DG58202	3-(4-Chlorophenoxy)-4-(4-hydroxyphenyl)-7-methoxy-2H-chromen-2-one	395148	NSC699448; SCHEMBL6823032; CHEMBL1972786; 3-(4-Chlorophenoxy)-4-(4-hydroxyphenyl)-7-methoxy-2H-chromen-2-one; NSC-699448; NCI60_035618; 3-(4-chlorophenoxy)-4-(4-hydroxyphenyl)-7-methoxy-chromen-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699448	.	.	.	.	394.8	C22H15ClO5	65	590	5.1	28	1	5	4	"InChI=1S/C22H15ClO5/c1-26-17-10-11-18-19(12-17)28-22(25)21(27-16-8-4-14(23)5-9-16)20(18)13-2-6-15(24)7-3-13/h2-12,24H,1H3"	COC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)O	UQGFXRSDFDICDR-UHFFFAOYSA-N
DG58203	4-[4-(2-Dimethylaminoethyloxy)phenyl]-3-phenoxy-chromen-2-one	395149	NSC699449; SCHEMBL6825957; CHEMBL1975140; NSC-699449; NCI60_035619; 4-[4-(2-dimethylaminoethyloxy)phenyl]-3-phenoxy-chromen-2-one; 4-(4-(2-(Dimethylamino)ethoxy)phenyl)-3-phenoxy-2H-chromen-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699449	.	.	.	.	401.5	C25H23NO4	48	602	4.8	30	0	5	7	"InChI=1S/C25H23NO4/c1-26(2)16-17-28-19-14-12-18(13-15-19)23-21-10-6-7-11-22(21)30-25(27)24(23)29-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3"	CN(C)CCOC1=CC=C(C=C1)C2=C(C(=O)OC3=CC=CC=C32)OC4=CC=CC=C4	DQZSHZDMLKJXCU-UHFFFAOYSA-N
DG58204	3-(4-Chlorophenoxy)-4-[4-(2-dimethylaminoethyloxy)phenyl]chromen-2-one	395150	NSC699450; SCHEMBL6921522; CHEMBL2002057; 3-(4-chlorophenoxy)-4-[4-(2-dimethylaminoethyloxy)phenyl]chromen-2-one; NSC-699450; NCI60_035621; 3-(4-Chlorophenoxy)-4-(4-(2-(dimethylamino)ethoxy)phenyl)-2H-chromen-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699450	.	.	.	.	435.9	C25H22ClNO4	48	635	5.5	31	0	5	7	"InChI=1S/C25H22ClNO4/c1-27(2)15-16-29-19-11-7-17(8-12-19)23-21-5-3-4-6-22(21)31-25(28)24(23)30-20-13-9-18(26)10-14-20/h3-14H,15-16H2,1-2H3"	CN(C)CCOC1=CC=C(C=C1)C2=C(C(=O)OC3=CC=CC=C32)OC4=CC=C(C=C4)Cl	NFSBFQFDOKDHPK-UHFFFAOYSA-N
DG58205	3-(4-Chlorophenoxy)-4-[4-(2-dimethylaminoethyloxy)phenyl]-7-methoxy-chromen-2-one	395152	NSC699452; SCHEMBL6823204; CHEMBL1984003; NSC-699452; NCI60_035623; 3-(4-Chlorophenoxy)-4-(4-(2-(dimethylamino)ethoxy)phenyl)-7-methoxy-2H-chromen-2-one; 3-(4-chlorophenoxy)-4-[4-(2-dimethylaminoethyloxy)phenyl]-7-methoxy-chromen-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699452	.	.	.	.	465.9	C26H24ClNO5	57.2	682	5.4	33	0	6	8	"InChI=1S/C26H24ClNO5/c1-28(2)14-15-31-19-8-4-17(5-9-19)24-22-13-12-21(30-3)16-23(22)33-26(29)25(24)32-20-10-6-18(27)7-11-20/h4-13,16H,14-15H2,1-3H3"	CN(C)CCOC1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=CC(=C3)OC)OC4=CC=C(C=C4)Cl	BONRLZCXTLXLKF-UHFFFAOYSA-N
DG58206	"9-Bromo-4-hydroxy-7,12-dihydroindolo[3,2-d][1]benzazepine-6(5H)-one"	395169	"CHEMBL95477; NSC699471; Paullone Analog 44; 9-bromo-4-hydroxypaullone; BDBM7305; SCHEMBL5688375; NSC 699471; NSC-699471; NCI60_035637; 9-Bromo-4-hydroxy-7,12-dihydroindolo[3,2-d][1]benzazepine-6(5H)-one; 14-bromo-6-hydroxy-8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699471	.	.	.	.	343.17	C16H11BrN2O2	65.099	433	2.9	21	3	2	0	"InChI=1S/C16H11BrN2O2/c17-8-4-5-12-10(6-8)11-7-14(21)19-16-9(15(11)18-12)2-1-3-13(16)20/h1-6,18,20H,7H2,(H,19,21)"	C1C2=C(C3=C(C(=CC=C3)O)NC1=O)NC4=C2C=C(C=C4)Br	VPNVMVMFLHEGBV-UHFFFAOYSA-N
DG58207	NSC699483	395185	"4-(Dimethylamino)-6-(5,6,7-trimethoxy-1H-indole-2-ylcarbonyl)-8-(chloromethyl)-3,6,7,8-tetrahydrobenzo[1,2-b:4,3-b']dipyrrole-2-carboxylic acid methyl ester; NSC699483; SCHEMBL5622648; CHEMBL2000952; NSC-699483; NCI60_035646; 4-(Dimethylamino)-6-(5,6,7-trimethoxy-1H-indole-2-ylcarbonyl)-8-(chloromethyl)-3,6,7,8-tetrahydrobenzo[1,2-b:4,3-b']dipyrrole-2-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699483	.	.	.	.	541	C27H29ClN4O6	109	881	4.2	38	2	7	8	"InChI=1S/C27H29ClN4O6/c1-31(2)19-10-18-21(15-9-17(27(34)38-6)30-23(15)19)14(11-28)12-32(18)26(33)16-7-13-8-20(35-3)24(36-4)25(37-5)22(13)29-16/h7-10,14,29-30H,11-12H2,1-6H3"	CN(C)C1=C2C(=C3C(CN(C3=C1)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CCl)C=C(N2)C(=O)OC	MAMMFIUMKJUAKQ-UHFFFAOYSA-N
DG58208	NSC699491	395188	"(7S,9S)-7-[[6,15-dimethyl-13-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-5,8,14,17-tetraoxa-1,10-diazatetracyclo[8.8.1.02,7.011,16]nonadecan-4-yl]oxy]-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; Epidoxoform; CHEMBL2004441; SCHEMBL13498781; NSC699491; NSC-699491; NCI60_035647"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699491	.	.	.	.	1123.1	C57H58N2O22	345	2290	5.1	81	8	24	10	"InChI=1S/C57H58N2O22/c1-22-54-28(11-36(78-22)80-32-15-56(72,34(62)17-60)13-26-40(32)52(70)44-42(48(26)66)46(64)24-7-5-9-30(74-3)38(24)50(44)68)58-19-59(20-76-54)29-12-37(79-23(2)55(29)77-21-58)81-33-16-57(73,35(63)18-61)14-27-41(33)53(71)45-43(49(27)67)47(65)25-8-6-10-31(75-4)39(25)51(45)69/h5-10,22-23,28-29,32-33,36-37,54-55,60-61,66-67,70-73H,11-21H2,1-4H3/t22 ,23 ,28 ,29 ,32-,33-,36 ,37 ,54 ,55 ,56-,57-/m0/s1"	CC1C2C(CC(O1)O[C@H]3C[C@@](CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)CO)O)N7CN(CO2)C8CC(OC(C8OC7)C)O[C@H]9C[C@@](CC1=C9C(=C2C(=C1O)C(=O)C1=C(C2=O)C(=CC=C1)OC)O)(C(=O)CO)O	LNMUJUHEUYMBOT-BCNYZFJLSA-N
DG58209	NSC699499	395196	"[4-Hydroxy-2-(hydroxymethyl)-5-[4-(octadecylamino)-2-oxo-pyrimidin-1-yl]tetrahydrofuran-3-yl] [5-(4-imino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate; NSC699499; CHEMBL1967264; NSC-699499; NCI60_035648; [4-hydroxy-2-(hydroxymethyl)-5-[4-(octadecylamino)-2-oxo-pyrimidin-1-yl]tetrahydrofuran-3-yl] [5-(4-imino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate; 2(1H)-Pyrimidinone, 1-[3-O-[[[5-(3,4-dihydro-4-imino-2-oxo-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy]hydroxyphosphinyl]pentofuranosyl]-4-(octadecylamino)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699499	.	.	.	.	768.9	C36H61N6O10P	218	1330	4.7	53	5	10	26	"InChI=1S/C36H61N6O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-38-30-21-24-42(36(46)40-30)34-32(44)33(28(25-43)51-34)52-53(47,48)49-26-27-18-19-31(50-27)41-23-20-29(37)39-35(41)45/h20-21,23-24,27-28,31-34,43-44H,2-19,22,25-26H2,1H3,(H,47,48)(H2,37,39,45)(H,38,40,46)"	CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)OP(=O)(O)OCC3CCC(O3)N4C=CC(=NC4=O)N)O	NBBAJTRSYAVHBK-UHFFFAOYSA-N
DG58210	"2-(1,3-Benzothiazol-2-yl)-2-(2-chloro-5-methylpyrimidin-4-yl)acetonitrile"	395220	NSC699695; CHEMBL1977266; NSC-699695; NCI60_035665	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699695	.	.	.	.	300.8	C14H9ClN4S	90.7	398	3.4	20	0	5	2	"InChI=1S/C14H9ClN4S/c1-8-7-17-14(15)19-12(8)9(6-16)13-18-10-4-2-3-5-11(10)20-13/h2-5,7,9H,1H3"	CC1=CN=C(N=C1C(C#N)C2=NC3=CC=CC=C3S2)Cl	GTZSORQNNUISHZ-UHFFFAOYSA-N
DG58211	2-(2-Chloro-5-methylpyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile	395227	NSC699702; CHEMBL1974474; NSC-699702; NCI60_035672	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699702	.	.	.	.	297.74	C15H12ClN5	67.4	422	2.5	21	0	4	2	"InChI=1S/C15H12ClN5/c1-9-8-18-15(16)20-13(9)10(7-17)14-19-11-5-3-4-6-12(11)21(14)2/h3-6,8,10H,1-2H3"	CC1=CN=C(N=C1C(C#N)C2=NC3=CC=CC=C3N2C)Cl	CLPPLRDNIDGYIK-UHFFFAOYSA-N
DG58212	"2-(1,3-Benzothiazol-2-yl)-2-(6-chloro-5-nitropyrimidin-4-yl)acetonitrile"	395228	NSC699703; SCHEMBL5109312; CHEMBL1990958; NSC-699703; NCI60_035673	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699703	.	.	.	.	331.74	C13H6ClN5O2S	137	481	2.9	22	0	7	2	"InChI=1S/C13H6ClN5O2S/c14-12-11(19(20)21)10(16-6-17-12)7(5-15)13-18-8-3-1-2-4-9(8)22-13/h1-4,6-7H"	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=C(C(=NC=N3)Cl)[N+](=O)[O-]	XGRXYXAJEJDAKE-UHFFFAOYSA-N
DG58213	2-(Benzo[d]thiazol-2-yl)-2-(2-chloropyrimidin-4-yl)acetonitrile	395229	"2-(benzo[d]thiazol-2-yl)-2-(2-chloropyrimidin-4-yl)acetonitrile; 345986-38-1; 2-(1,3-benzothiazol-2-yl)-2-(2-chloropyrimidin-4-yl)acetonitrile; NSC699704; SCHEMBL1519025; CHEMBL1991853; CS-M1405; VNA98638; BDBM50169966; AKOS037649715; NSC-699704; CS-13485; NCI60_035674; C11458; Acetonitrile, 2-benzothiazolyl(2-chloro-4-pyrimidinyl)-; 1,3-benzothiazol-2-yl(2-chloro-4-pyrimidinyl)-acetonitrile; (2Z)-1,3-benzothiazol-2(3H)-ylidene(2-chloropyrimidin-4-yl)acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699704	.	.	.	.	286.74	C13H7ClN4S	90.7	371	3	19	0	5	2	"InChI=1S/C13H7ClN4S/c14-13-16-6-5-9(18-13)8(7-15)12-17-10-3-1-2-4-11(10)19-12/h1-6,8H"	C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)Cl	QVMKLKBODZHJDK-UHFFFAOYSA-N
DG58214	"2H-Isoquinolin-1-one,4-dichlorophenyl)-7-nitro-"	395233	"NSC699708; CHEMBL1980680; NSC-699708; NCI60_035678; 2H-Isoquinolin-1-one,4-dichlorophenyl)- 7-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699708	.	.	.	.	483.3	C22H12Cl2N4O3S	133	809	5.7	32	1	6	2	"InChI=1S/C22H12Cl2N4O3S/c23-15-8-5-11(9-16(15)24)19-13-7-6-12(28(30)31)10-14(13)21(29)27(20(19)25)22-26-17-3-1-2-4-18(17)32-22/h1-10H,25H2"	C1=CC=C2C(=C1)N=C(S2)N3C(=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C5=CC(=C(C=C5)Cl)Cl)N	KMLKJYGOJNWQMQ-UHFFFAOYSA-N
DG58215	"2-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide"	395235	"2-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide; 313254-12-5; 2-chloro-N-(4-methylbenzo[d]thiazol-2-yl)-5-nitrobenzamide; NSC699710; Oprea1_534915; CHEMBL1991499; ZINC1516567; ZINC01516567; AKOS003006730; CCG-317780; MCULE-9146360087; NSC-699710; NCI60_035680; F0012-0183"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699710	.	.	.	.	347.8	C15H10ClN3O3S	116	475	4.4	23	1	5	2	"InChI=1S/C15H10ClN3O3S/c1-8-3-2-4-12-13(8)17-15(23-12)18-14(20)10-7-9(19(21)22)5-6-11(10)16/h2-7H,1H3,(H,17,18,20)"	CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl	IBUOLCIWYBGWAI-UHFFFAOYSA-N
DG58216	"17-Methyl-9-oxo-4,10,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-2-carbonitrile"	395239	"NSC699714; Oprea1_877152; CHEMBL1984864; ZINC1861478; AKOS004906970; MCULE-8373388107; NSC-699714; NCI60_035684; SR-01000029007; SR-01000029007-1; Z56789550; 5-Oxo-11-methyl-5,11-dihydro-4b,9,11-triaza-4bH-benzo[b]fluorene-10-carbonitrile; 17-methyl-9-oxo-4,10,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-2-carbonitrile; 183022-91-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699714	.	.	.	.	274.28	C16H10N4O	60.2	560	1.4	21	0	4	0	"InChI=1S/C16H10N4O/c1-19-12-6-2-3-7-13(12)20-15(19)11(9-17)14-10(16(20)21)5-4-8-18-14/h2-8H,1H3"	CN1C2=CC=CC=C2N3C1=C(C4=C(C3=O)C=CC=N4)C#N	RHFAFQNOTSBJLW-UHFFFAOYSA-N
DG58217	"1-[2-[(2,5-Dimethylphenyl)methoxy]ethoxymethyl]-4-imino-pyrimidin-2-one"	395257	"NSC699735; CHEMBL2002986; NSC-699735; NCI60_035699; 1-[2-[(2,5-dimethylphenyl)methoxy]ethoxymethyl]-4-imino-pyrimidin-2-one; 1-((2-((2,5-Dimethylbenzyl)oxy)ethoxy)methyl)-4-imino-3,4-dihydro-2(1H)-pyrimidinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699735	.	.	.	.	303.36	C16H21N3O3	77.2	436	0.9	22	1	3	7	"InChI=1S/C16H21N3O3/c1-12-3-4-13(2)14(9-12)10-21-7-8-22-11-19-6-5-15(17)18-16(19)20/h3-6,9H,7-8,10-11H2,1-2H3,(H2,17,18,20)"	CC1=CC(=C(C=C1)C)COCCOCN2C=CC(=NC2=O)N	SAVJATQOMYEVNA-UHFFFAOYSA-N
DG58218	"1-[2-[(2,5-Dimethylphenyl)methoxy]ethoxymethyl]-5-morpholino-pyrimidine-2,4-dione"	395259	"NSC699737; CHEMBL1997281; NSC-699737; NCI60_035701; 1-[2-[(2,5-dimethylphenyl)methoxy]ethoxymethyl]-5-morpholino-pyrimidine-2,4-dione; 1-((2-((2,5-Dimethylbenzyl)oxy)ethoxy)methyl)-5-(4-morpholinyl)-2,4(1H,3H)-pyrimidinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699737	.	.	.	.	389.4	C20H27N3O5	80.3	576	1.2	28	1	6	8	"InChI=1S/C20H27N3O5/c1-15-3-4-16(2)17(11-15)13-27-9-10-28-14-23-12-18(19(24)21-20(23)25)22-5-7-26-8-6-22/h3-4,11-12H,5-10,13-14H2,1-2H3,(H,21,24,25)"	CC1=CC(=C(C=C1)C)COCCOCN2C=C(C(=O)NC2=O)N3CCOCC3	IEODPWZMNKFAIE-UHFFFAOYSA-N
DG58219	"9-Tert-butyl-4-(3-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	395262	"NSC699740; CHEMBL1973894; tert-butyl-(3-nitrophenyl)[ ]dione; NSC-699740; NCI60_035704; 5-tert-Butyl-2-(3-(hydroxy(oxido)amino)phenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699740	.	.	.	.	471.5	C28H29N3O4	99	894	5.9	35	1	4	2	"InChI=1S/C28H29N3O4/c1-28(2,3)15-11-12-18-20(13-15)23-24(25-22(18)19-9-4-5-10-21(19)29-25)27(33)30(26(23)32)16-7-6-8-17(14-16)31(34)35/h4-10,14-15,18,20,23-24,29H,11-13H2,1-3H3"	CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC(=CC=C6)[N+](=O)[O-]	VXTVSKBDSNWWFW-UHFFFAOYSA-N
DG58220	NSC699743	395265	"4-(4-Methoxyphenyl)-9-(2-methylbutan-2-yl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione; NSC699743; CHEMBL1990197; NSC-699743; NCI60_035707; 1,1-dimethylpropyl-(4-methoxyphenyl)[ ]dione; 2-(4-Methoxyphenyl)-5-tert-pentyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699743	.	.	.	.	470.6	C30H34N2O3	62.4	834	6.6	35	1	3	4	"InChI=1S/C30H34N2O3/c1-5-30(2,3)17-10-15-20-22(16-17)25-26(27-24(20)21-8-6-7-9-23(21)31-27)29(34)32(28(25)33)18-11-13-19(35-4)14-12-18/h6-9,11-14,17,20,22,25-26,31H,5,10,15-16H2,1-4H3"	CCC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC	WIQKJAZMFIVQPU-UHFFFAOYSA-N
DG58221	"Methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]acetate"	395267	"NSC699745; CHEMBL1978886; NSC-699745; methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]acetate; NCI60_035709; Methyl ((((((5-((4-chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)amino)acetyl)amino)acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699745	.	.	.	.	504	C22H22ClN5O5S	150	676	2.7	34	2	8	12	"InChI=1S/C22H22ClN5O5S/c1-32-21(31)12-25-19(29)11-24-20(30)14-34-22-27-26-18(28(22)16-5-3-2-4-6-16)13-33-17-9-7-15(23)8-10-17/h2-10H,11-14H2,1H3,(H,24,30)(H,25,29)"	COC(=O)CNC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl	BTZSPDKTAULBHA-UHFFFAOYSA-N
DG58222	"Methyl 2-((((((5-((4-chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)amino)acetyl)amino)-3-methylbutanoate"	395268	"NSC699746; CHEMBL1996793; NSC-699746; NCI60_035710; Methyl 2-((((((5-((4-chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)amino)acetyl)amino)-3-methylbutanoate; methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]-3-methyl-butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699746	.	.	.	.	546	C25H28ClN5O5S	150	749	4	37	2	8	13	"InChI=1S/C25H28ClN5O5S/c1-16(2)23(24(34)35-3)28-21(32)13-27-22(33)15-37-25-30-29-20(31(25)18-7-5-4-6-8-18)14-36-19-11-9-17(26)10-12-19/h4-12,16,23H,13-15H2,1-3H3,(H,27,33)(H,28,32)"	CC(C)C(C(=O)OC)NC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl	PWQMINNTSNNXRJ-UHFFFAOYSA-N
DG58223	"Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-butanoate"	395272	"NSC699750; CHEMBL2006913; NSC-699750; NCI60_035714; Methyl 2-((((5-((4-chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)amino)-3-methylbutanoate; methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699750	.	.	.	.	489	C23H25ClN4O4S	121	630	4.7	33	1	7	11	"InChI=1S/C23H25ClN4O4S/c1-15(2)21(22(30)31-3)25-20(29)14-33-23-27-26-19(28(23)17-7-5-4-6-8-17)13-32-18-11-9-16(24)10-12-18/h4-12,15,21H,13-14H2,1-3H3,(H,25,29)"	CC(C)C(C(=O)OC)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl	VOKFDUISDWJPBK-UHFFFAOYSA-N
DG58224	"6-tert-butyl-5-(3-methylbut-3-enyl)-2-oxido-5,6-dihydro-4H-oxazin-2-ium"	395298	"NSC699779; 6-tert-butyl-5-(3-methylbut-3-enyl)-2-oxido-5,6-dihydro-4H-oxazin-2-ium; CHEMBL2001943; NSC-699779; NCI60_035742; 6-tert-Butyl-5-(3-methyl-3-butenyl)-1,2-oxazinane 2-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699779	.	.	.	.	225.33	C13H23NO2	38	289	2.7	16	0	2	4	"InChI=1S/C13H23NO2/c1-10(2)6-7-11-8-9-14(15)16-12(11)13(3,4)5/h9,11-12H,1,6-8H2,2-5H3"	CC(=C)CCC1CC=[N+](OC1C(C)(C)C)[O-]	WSJCZVUMXFMQAW-UHFFFAOYSA-N
DG58225	"propan-2-yl (2S,3S)-3-[5-[dimethyl(phenyl)silyl]-2H-oxazin-3-yl]-2,4-dihydroxybutanoate"	395313	NSC699795; CHEMBL2000806; NSC-699795; NCI60_035756	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699795	.	.	.	.	377.5	C19H27NO5Si	88	552	.	26	3	6	8	"InChI=1S/C19H27NO5Si/c1-13(2)25-19(23)18(22)16(11-21)17-10-15(12-24-20-17)26(3,4)14-8-6-5-7-9-14/h5-10,12-13,16,18,20-22H,11H2,1-4H3/t16-,18+/m1/s1"	CC(C)OC(=O)[C@H]([C@H](CO)C1=CC(=CON1)[Si](C)(C)C2=CC=CC=C2)O	SOICQPFUVLTMLM-AEFFLSMTSA-N
DG58226	"(3Z)-3-[3,5-bis(trifluoromethyl)phenyl]imino-1,7,7-trimethyl-norbornan-2-one"	395319	"NSC699801; CHEMBL1974817; NSC-699801; NCI60_035762; (3Z)-3-[3,5-bis(trifluoromethyl)phenyl]imino-1,7,7-trimethyl-norbornan-2-one; 3-((3,5-Bis(trifluoromethyl)phenyl)imino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699801	.	.	.	.	377.3	C18H17F6NO	29.4	613	5.1	26	0	8	1	"InChI=1S/C18H17F6NO/c1-15(2)12-4-5-16(15,3)14(26)13(12)25-11-7-9(17(19,20)21)6-10(8-11)18(22,23)24/h6-8,12H,4-5H2,1-3H3"	CC1(C2CCC1(C(=O)C2=NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C)C	SKSSZZCUVRWMLJ-UHFFFAOYSA-N
DG58227	"3-(tert-Butylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol"	395324	"NSC699806; CHEMBL1990745; 3-(tert-Butylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol; NSC-699806; NCI60_035767; 3-(tert-butylamino)-1,7,7-trimethyl-norbornan-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699806	.	.	.	.	225.37	C14H27NO	32.299	292	2.6	16	2	2	2	"InChI=1S/C14H27NO/c1-12(2,3)15-10-9-7-8-14(6,11(10)16)13(9,4)5/h9-11,15-16H,7-8H2,1-6H3"	CC1(C2CCC1(C(C2NC(C)(C)C)O)C)C	VBIQESJEDOKYKY-UHFFFAOYSA-N
DG58228	"2-Ethyl-3-isopropyl-6-methyl-1,3,2-oxazaphosphinane 2-sulfide"	395334	"NSC699816; CHEMBL1996118; NSC-699816; NCI60_035777; 2-Ethyl-3-isopropyl-6-methyl-1,3,2-oxazaphosphinane 2-sulfide; 2-ethyl-3-isopropyl-6-methyl-2-thioxo-1,3,2$l^{5}-oxazaphosphinane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699816	.	.	.	.	221.3	C9H20NOPS	44.6	220	3.1	13	0	3	2	"InChI=1S/C9H20NOPS/c1-5-12(13)10(8(2)3)7-6-9(4)11-12/h8-9H,5-7H2,1-4H3"	CCP1(=S)N(CCC(O1)C)C(C)C	IHOQDODDPRGHAW-UHFFFAOYSA-N
DG58229	"1,3-Bis(4,4-dimethyl-2-oxazoline-2-yl)-2-bromobenzene"	395336	"NSC699818; CHEMBL2001938; SCHEMBL14351749; NSC-699818; NCI60_035779; 1,3-Bis(4,4-dimethyl-2-oxazoline-2-yl)-2-bromobenzene; 2-[2-bromo-3-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-oxazole; 2-(2-Bromo-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699818	.	.	.	.	351.24	C16H19BrN2O2	43.2	443	2.9	21	0	4	2	"InChI=1S/C16H19BrN2O2/c1-15(2)8-20-13(18-15)10-6-5-7-11(12(10)17)14-19-16(3,4)9-21-14/h5-7H,8-9H2,1-4H3"	CC1(COC(=N1)C2=C(C(=CC=C2)C3=NC(CO3)(C)C)Br)C	HVVHHHIVAXYPRB-UHFFFAOYSA-N
DG58230	"2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole"	395337	"NSC699819; 1,3-bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene; SCHEMBL471881; CHEMBL1999313; CHEBI:182190; ZINC1861618; NSC-699819; 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole; 64682-37-7; NCI60_035780; 1,3-Bis(4,4-dimethyl-2-oxazoline-2-yl)benzene; 2-[3-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-oxazole; 2-(3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699819	.	.	.	.	272.34	C16H20N2O2	43.2	411	2.2	20	0	4	2	"InChI=1S/C16H20N2O2/c1-15(2)9-19-13(17-15)11-6-5-7-12(8-11)14-18-16(3,4)10-20-14/h5-8H,9-10H2,1-4H3"	CC1(COC(=N1)C2=CC(=CC=C2)C3=NC(CO3)(C)C)C	MUBZACKCHQIRSY-UHFFFAOYSA-N
DG58231	N-[1-[2-(methanesulfonamido)-1-naphthyl]-2-naphthyl]methanesulfonamide	395339	"NSC699821; CHEMBL1971683; NSC-699821; NCI60_035782; Methanesulfonamide, N,N'-[1,1'-binaphthalene]-2,2'-diylbis-; N-[1-[2-(methanesulfonamido)-1-naphthyl]-2-naphthyl]methanesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699821	.	.	.	.	440.5	C22H20N2O4S2	109	734	4	30	2	6	5	"InChI=1S/C22H20N2O4S2/c1-29(25,26)23-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24-30(2,27)28/h3-14,23-24H,1-2H3"	CS(=O)(=O)NC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)NS(=O)(=O)C	YOKOWCMGIZHOOH-UHFFFAOYSA-N
DG58232	Methyl 1-nonyl-4-oxo-3-piperidinecarboxylate	395351	NSC699833; CHEMBL1992532; NSC-699833; NCI60_035794; Methyl 1-nonyl-4-oxo-3-piperidinecarboxylate; methyl 1-nonyl-4-oxo-piperidine-3-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699833	.	.	.	.	283.41	C16H29NO3	46.6	304	3.8	20	0	4	10	"InChI=1S/C16H29NO3/c1-3-4-5-6-7-8-9-11-17-12-10-15(18)14(13-17)16(19)20-2/h14H,3-13H2,1-2H3"	CCCCCCCCCN1CCC(=O)C(C1)C(=O)OC	MMXDFYIJUSDGEK-UHFFFAOYSA-N
DG58233	"4-(Benzyloxymethyl)-2,6-dimethoxy-tetrahydropyran"	395355	"NSC699837; CHEMBL1965942; NSC-699837; NCI60_035798; 4-(benzyloxymethyl)-2,6-dimethoxy-tetrahydropyran; 4-((Benzyloxy)methyl)-2,6-dimethoxytetrahydro-2H-pyran"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699837	.	.	.	.	266.33	C15H22O4	36.9	228	2.2	19	0	4	6	"InChI=1S/C15H22O4/c1-16-14-8-13(9-15(17-2)19-14)11-18-10-12-6-4-3-5-7-12/h3-7,13-15H,8-11H2,1-2H3"	COC1CC(CC(O1)OC)COCC2=CC=CC=C2	PXFKOSQMSTUDRQ-UHFFFAOYSA-N
DG58234	"11,13-Dioxa-4,8-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,5(16),6,8,10(14)-hexaene;hydrochloride"	395382	NSC699882; CHEMBL1982642; NSC-699882	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699882	.	.	.	.	248.66	C12H9ClN2O2	43.4	320	.	17	2	4	0	"InChI=1S/C12H8N2O2.ClH/c1-3-13-8-2-4-14-11-10(8)7(1)5-9-12(11)16-6-15-9;/h1-5,13H,6H2;1H"	C1OC2=C(O1)C3=NC=CC4=C3C(=C2)C=CN4.Cl	MNSZGHTUSLDAMZ-UHFFFAOYSA-N
DG58235	"9-(Ethylthio)-2,7-dimethoxyacridine"	395384	"NSC699920; CHEMBL1976052; BG-757; 9-(Ethylthio)-2,7-dimethoxyacridine; NSC-699920; 9-ethylsulfanyl-2,7-dimethoxy-acridine; NCI60_035813"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699920	.	.	.	.	299.4	C17H17NO2S	56.6	313	4.3	21	0	4	4	"InChI=1S/C17H17NO2S/c1-4-21-17-13-9-11(19-2)5-7-15(13)18-16-8-6-12(20-3)10-14(16)17/h5-10H,4H2,1-3H3"	CCSC1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)OC	PLLQIVPARRRCRU-UHFFFAOYSA-N
DG58236	"9-(Ethylsulfinyl)-2,7-dimethoxyacridine"	395385	"NSC699921; 9-(Ethylsulfinyl)-2,7-dimethoxyacridine; 827303-19-5; CHEMBL1992254; DTXSID20327882; NSC-699921; 9-ethylsulfinyl-2,7-dimethoxy-acridine; NCI60_035814; 2,7-Dimethoxy-9-acridinyl ethyl sulfoxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699921	.	.	.	.	315.4	C17H17NO3S	67.6	377	2.9	22	0	5	4	"InChI=1S/C17H17NO3S/c1-4-22(19)17-13-9-11(20-2)5-7-15(13)18-16-8-6-12(21-3)10-14(16)17/h5-10H,4H2,1-3H3"	CCS(=O)C1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)OC	FNWQSNYSPZQNSF-UHFFFAOYSA-N
DG58237	9-(2-Chloroethylsulfanyl)acridine	395387	NSC699923; 9-(2-chloroethylsulfanyl)acridine; CHEMBL2007104; 9-((2-Chloroethyl)thio)acridine; 9-Acridinyl 2-chloroethyl sulfide; NSC-699923; NCI60_035816	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699923	.	.	.	.	273.8	C15H12ClNS	38.2	251	4.6	18	0	2	3	"InChI=1S/C15H12ClNS/c16-9-10-18-15-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)15/h1-8H,9-10H2"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SCCCl	BWGAICSQKUMIJL-UHFFFAOYSA-N
DG58238	"9-((2-Chloroethyl)thio)-2,7-dimethoxyacridine"	395389	"NSC699925; 9-((2-Chloroethyl)thio)-2,7-dimethoxyacridine; 9-[(2-Chloroethyl)thio]-2,7-dimethoxyacridine; CHEMBL1989716; NSC-699925; NCI60_035818; 9-(2-chloroethylsulfanyl)-2,7-dimethoxy-acridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699925	.	.	.	.	333.8	C17H16ClNO2S	56.6	332	4.6	22	0	4	5	"InChI=1S/C17H16ClNO2S/c1-20-11-3-5-15-13(9-11)17(22-8-7-18)14-10-12(21-2)4-6-16(14)19-15/h3-6,9-10H,7-8H2,1-2H3"	COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCCCl)OC	WWWWJQHYTOSMNM-UHFFFAOYSA-N
DG58239	"2-Chloroethyl 2,7-dimethoxy-9-acridinyl sulfoxide"	395390	"NSC699926; CHEMBL2001330; NSC-699926; NCI60_035819; 2-Chloroethyl 2,7-dimethoxy-9-acridinyl sulfoxide; 9-(2-chloroethylsulfinyl)-2,7-dimethoxy-acridine; 9-((2-Chloroethyl)sulfinyl)-2,7-dimethoxyacridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699926	.	.	.	.	349.8	C17H16ClNO3S	67.6	397	3.1	23	0	5	5	"InChI=1S/C17H16ClNO3S/c1-21-11-3-5-15-13(9-11)17(23(20)8-7-18)14-10-12(22-2)4-6-16(14)19-15/h3-6,9-10H,7-8H2,1-2H3"	COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2S(=O)CCCl)OC	TVXICGOWQNPSDL-UHFFFAOYSA-N
DG58240	"2,7-Dimethoxy-9-[[2-(diethylamino)ethyl]thio]acridine"	395391	"NSC699927; CHEMBL1994071; NSC-699927; NCI60_035820; 2,7-Dimethoxy-9-[[2-(diethylamino)ethyl]thio]acridine; 2-((2,7-Dimethoxy-9-acridinyl)thio)-N,N-diethylethanamine; 2-(2,7-dimethoxyacridin-9-yl)sulfanyl-N,N-diethyl-ethanamine; N-(2-((2,7-Dimethoxy-9-acridinyl)thio)ethyl)-N,N-diethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699927	.	.	.	.	370.5	C21H26N2O2S	59.9	393	4.8	26	0	5	8	"InChI=1S/C21H26N2O2S/c1-5-23(6-2)11-12-26-21-17-13-15(24-3)7-9-19(17)22-20-10-8-16(25-4)14-18(20)21/h7-10,13-14H,5-6,11-12H2,1-4H3"	CCN(CC)CCSC1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)OC	FTXHPXJPAANONC-UHFFFAOYSA-N
DG58241	"2-((2,7-Dimethoxy-9-acridinyl)sulfinyl)-N,N-diethylethanamine"	395392	"NSC699928; 827303-20-8; CHEMBL1965285; DTXSID00327885; NSC-699928; NCI60_035821; 2-((2,7-Dimethoxy-9-acridinyl)sulfinyl)-N,N-diethylethanamine; 2-((2,7-Dimethoxyacridin-9-yl)sulfinyl)-N,N-diethylethanamine; 2-(2,7-dimethoxyacridin-9-yl)sulfinyl-N,N-diethyl-ethanamine; N-(2-((2,7-Dimethoxy-9-acridinyl)sulfinyl)ethyl)-N,N-diethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699928	.	.	.	.	386.5	C21H26N2O3S	70.9	460	3.3	27	0	6	8	"InChI=1S/C21H26N2O3S/c1-5-23(6-2)11-12-27(24)21-17-13-15(25-3)7-9-19(17)22-20-10-8-16(26-4)14-18(20)21/h7-10,13-14H,5-6,11-12H2,1-4H3"	CCN(CC)CCS(=O)C1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)OC	CXSKHDXAIRKSGV-UHFFFAOYSA-N
DG58242	"2-(2,7-Dimethoxyacridin-9-yl)sulfanylethanol"	395393	"NSC699929; 2-(2,7-dimethoxyacridin-9-yl)sulfanylethanol; CHEMBL1966899; BG-832; NSC-699929; NCI60_035822; 2-((2,7-Dimethoxy-9-acridinyl)thio)ethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699929	.	.	.	.	315.4	C17H17NO3S	76.9	329	3.3	22	1	5	5	"InChI=1S/C17H17NO3S/c1-20-11-3-5-15-13(9-11)17(22-8-7-19)14-10-12(21-2)4-6-16(14)18-15/h3-6,9-10,19H,7-8H2,1-2H3"	COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCCO)OC	KQQNVJYEAFNAOR-UHFFFAOYSA-N
DG58243	3-Chloro-9-(oxiran-2-ylmethylsulfanyl)acridine	395395	NSC699931; MLS002702452; 3-chloro-9-(oxiran-2-ylmethylsulfanyl)acridine; CHEMBL1895655; NSC-699931; NCI60_035824; SMR001566013; 3-Chloro-9-((2-oxiranylmethyl)thio)acridine; 3-Chloro-9-acridinyl 2-oxiranylmethyl sulfide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699931	.	.	.	.	301.8	C16H12ClNOS	50.7	355	4.4	20	0	3	3	"InChI=1S/C16H12ClNOS/c17-10-5-6-13-15(7-10)18-14-4-2-1-3-12(14)16(13)20-9-11-8-19-11/h1-7,11H,8-9H2"	C1C(O1)CSC2=C3C=CC(=CC3=NC4=CC=CC=C42)Cl	TVZHVHHLJPEOGD-UHFFFAOYSA-N
DG58244	"9-(Benzylthio)-2,7-dimethoxyacridine"	395396	"NSC699932; 9-(Benzylthio)-2,7-dimethoxyacridine; 827303-15-1; CHEMBL1993786; DTXSID60327886; NSC-699932; 9-benzylsulfanyl-2,7-dimethoxy-acridine; NCI60_035825"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699932	.	.	.	.	361.5	C22H19NO2S	56.6	414	5.5	26	0	4	5	"InChI=1S/C22H19NO2S/c1-24-16-8-10-20-18(12-16)22(26-14-15-6-4-3-5-7-15)19-13-17(25-2)9-11-21(19)23-20/h3-13H,14H2,1-2H3"	COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCC4=CC=CC=C4)OC	XFBACNNHZDSCFW-UHFFFAOYSA-N
DG58245	"9-(Benzylsulfinyl)-2,7-dimethoxyacridine"	395397	"NSC699933; 9-(Benzylsulfinyl)-2,7-dimethoxyacridine; CHEMBL1981980; NSC-699933; 9-benzylsulfinyl-2,7-dimethoxy-acridine; NCI60_035826; Benzyl 2,7-dimethoxy-9-acridinyl sulfoxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699933	.	.	.	.	377.5	C22H19NO3S	67.6	482	4.2	27	0	5	5	"InChI=1S/C22H19NO3S/c1-25-16-8-10-20-18(12-16)22(27(24)14-15-6-4-3-5-7-15)19-13-17(26-2)9-11-21(19)23-20/h3-13H,14H2,1-2H3"	COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2S(=O)CC4=CC=CC=C4)OC	MSLAKSKHMJRNRM-UHFFFAOYSA-N
DG58246	9-[(4-Nitrophenyl)methylsulfanyl]acridine	395398	NSC699934; 827303-14-0; 9-[(4-nitrophenyl)methylsulfanyl]acridine; CHEMBL1978881; DTXSID20327887; 9-((4-Nitrobenzyl)thio)acridine; NSC-699934; NCI60_035827; 9-((4-(Hydroxy(oxido)amino)benzyl)thio)acridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699934	.	.	.	.	346.4	C20H14N2O2S	84	439	5.4	25	0	4	3	"InChI=1S/C20H14N2O2S/c23-22(24)15-11-9-14(10-12-15)13-25-20-16-5-1-3-7-18(16)21-19-8-4-2-6-17(19)20/h1-12H,13H2"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SCC4=CC=C(C=C4)[N+](=O)[O-]	XRDHPTAGFMXWFV-UHFFFAOYSA-N
DG58247	"2,7-Dimethoxy-9-[(4-nitrophenyl)methylsulfinyl]acridine"	395400	"NSC699936; 827303-17-3; 2,7-dimethoxy-9-[(4-nitrophenyl)methylsulfinyl]acridine; CHEMBL1982424; DTXSID80327888; NSC-699936; NCI60_035829; 2,7-Dimethoxy-9-((4-nitrobenzyl)sulfinyl)acridine; 9-((4-(Hydroxy(oxido)amino)benzyl)sulfinyl)-2,7-dimethoxyacridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699936	.	.	.	.	422.5	C22H18N2O5S	113	593	4	30	0	7	5	"InChI=1S/C22H18N2O5S/c1-28-16-7-9-20-18(11-16)22(19-12-17(29-2)8-10-21(19)23-20)30(27)13-14-3-5-15(6-4-14)24(25)26/h3-12H,13H2,1-2H3"	COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2S(=O)CC4=CC=C(C=C4)[N+](=O)[O-])OC	CITQWVKNUSPDGX-UHFFFAOYSA-N
DG58248	"2,7-Dimethoxy-9-(vinylsulfonyl)acridine"	395402	"NSC699938; MLS002702453; 2,7-Dimethoxy-9-(vinylsulfonyl)acridine; CHEMBL1732782; ZINC5582591; NSC-699938; 2,7-dimethoxy-9-vinylsulfonyl-acridine; 2,7-Dimethoxy-9-acridinyl vinyl sulfone; NCI60_035831; SMR001566014"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699938	.	.	.	.	329.4	C17H15NO4S	73.9	501	3.2	23	0	5	4	"InChI=1S/C17H15NO4S/c1-4-23(19,20)17-13-9-11(21-2)5-7-15(13)18-16-8-6-12(22-3)10-14(16)17/h4-10H,1H2,2-3H3"	COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2S(=O)(=O)C=C)OC	FETZQIOHMSCAJT-UHFFFAOYSA-N
DG58249	"1-[[3-(Trifluoromethyl)phenyl]amino]-2,3-butanopyrido[1,2-a]benzimidazole-4-carbonitrile"	395403	"NSC699939; CHEMBL1983681; ZINC642430; MCULE-3673209346; NSC-699939; NCI60_035832; AO-476/40672119; 1-[[3-(Trifluoromethyl)phenyl]amino]-2,3-butanopyrido[1,2-a]benzimidazole-4-carbonitrile; 11-[3-(trifluoromethyl)anilino]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699939	.	.	.	.	406.4	C23H17F3N4	53.1	673	7	30	1	6	2	"InChI=1S/C23H17F3N4/c24-23(25,26)14-6-5-7-15(12-14)28-21-17-9-2-1-8-16(17)18(13-27)22-29-19-10-3-4-11-20(19)30(21)22/h3-7,10-12,28H,1-2,8-9H2"	C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)NC5=CC=CC(=C5)C(F)(F)F	FHLXZAHRRRIIFQ-UHFFFAOYSA-N
DG58250	"1-[(4-Fluorophenyl)amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile"	395404	"NSC699940; Oprea1_061079; CHEMBL1975072; NSC-699940; NCI60_035833; 1-[(4-Fluorophenyl)amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699940	.	.	.	.	342.4	C21H15FN4	53.1	566	5.7	26	1	4	2	"InChI=1S/C21H15FN4/c22-13-8-10-14(11-9-13)24-20-16-5-3-4-15(16)17(12-23)21-25-18-6-1-2-7-19(18)26(20)21/h1-2,6-11,24H,3-5H2"	C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NC5=CC=C(C=C5)F)C#N	OBLVGGZVBASFLN-UHFFFAOYSA-N
DG58251	"7,8-Dimethyl-1-[(4-chlorophenyl)amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile"	395407	"NSC699943; CHEMBL1965480; NSC-699943; NCI60_035836; 7,8-Dimethyl-1-[(4-chlorophenyl)amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699943	.	.	.	.	386.9	C23H19ClN4	53.1	623	7	28	1	3	2	"InChI=1S/C23H19ClN4/c1-13-10-20-21(11-14(13)2)28-22(26-16-8-6-15(24)7-9-16)18-5-3-4-17(18)19(12-25)23(28)27-20/h6-11,26H,3-5H2,1-2H3"	CC1=CC2=C(C=C1C)N3C(=C4CCCC4=C(C3=N2)C#N)NC5=CC=C(C=C5)Cl	CFVCNNCUDANEGC-UHFFFAOYSA-N
DG58252	"1-(4-Fluoroanilino)-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	395408	NSC-699944; NSC699944; Oprea1_696958; Oprea1_717197; CHEMBL1995115; AKOS003062925; NCI60_035837	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699944	.	.	.	.	378.4	C24H15FN4	53.1	603	6.5	29	1	4	3	"InChI=1S/C24H15FN4/c25-17-10-12-18(13-11-17)27-23-14-19(16-6-2-1-3-7-16)20(15-26)24-28-21-8-4-5-9-22(21)29(23)24/h1-14,27H"	C1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2)NC5=CC=C(C=C5)F)C#N	RCRISHAZXJYLJC-UHFFFAOYSA-N
DG58253	"7,8-Dimethyl-1-[(4-fluorophenyl)amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	395409	"NSC699945; CHEMBL1971737; NSC-699945; NCI60_035838; 7,8-Dimethyl-1-[(4-fluorophenyl)amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699945	.	.	.	.	406.5	C26H19FN4	53.1	662	7.2	31	1	4	3	"InChI=1S/C26H19FN4/c1-16-12-23-24(13-17(16)2)31-25(29-20-10-8-19(27)9-11-20)14-21(18-6-4-3-5-7-18)22(15-28)26(31)30-23/h3-14,29H,1-2H3"	CC1=CC2=C(C=C1C)N3C(=CC(=C(C3=N2)C#N)C4=CC=CC=C4)NC5=CC=C(C=C5)F	DSLRJCZNJKKBEK-UHFFFAOYSA-N
DG58254	"1-[[3-(Trifluoromethyl)phenyl]amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	395410	"NSC699946; CHEMBL2000620; ZINC5544055; NSC-699946; NCI60_035839; 1-[[3-(Trifluoromethyl)phenyl]amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699946	.	.	.	.	428.4	C25H15F3N4	53.1	697	7.3	32	1	6	3	"InChI=1S/C25H15F3N4/c26-25(27,28)17-9-6-10-18(13-17)30-23-14-19(16-7-2-1-3-8-16)20(15-29)24-31-21-11-4-5-12-22(21)32(23)24/h1-14,30H"	C1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2)NC5=CC=CC(=C5)C(F)(F)F)C#N	FIHHQRUFLJZGCH-UHFFFAOYSA-N
DG58255	"7,8-Dimethyl-1-[[3-(trifluoromethyl)phenyl]amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	395411	"NSC699947; CHEMBL1973963; NSC-699947; NCI60_035840; 7,8-Dimethyl-1-[[3-(trifluoromethyl)phenyl]amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699947	.	.	.	.	456.5	C27H19F3N4	53.1	757	8	34	1	6	3	"InChI=1S/C27H19F3N4/c1-16-11-23-24(12-17(16)2)34-25(32-20-10-6-9-19(13-20)27(28,29)30)14-21(18-7-4-3-5-8-18)22(15-31)26(34)33-23/h3-14,32H,1-2H3"	CC1=CC2=C(C=C1C)N3C(=CC(=C(C3=N2)C#N)C4=CC=CC=C4)NC5=CC=CC(=C5)C(F)(F)F	XIGSFIUKPMKUMH-UHFFFAOYSA-N
DG58256	"1-(4-Chloroanilino)-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	395412	NSC-699948; NSC699948; Oprea1_584179; Oprea1_588129; CHEMBL2003359; ZINC4333655; AKOS003064218; CCG-237992; MCULE-7835428563; NCI60_035841	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699948	.	.	.	.	394.9	C24H15ClN4	53.1	603	7	29	1	3	3	"InChI=1S/C24H15ClN4/c25-17-10-12-18(13-11-17)27-23-14-19(16-6-2-1-3-7-16)20(15-26)24-28-21-8-4-5-9-22(21)29(23)24/h1-14,27H"	C1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2)NC5=CC=C(C=C5)Cl)C#N	MXXQURDFCZJTSX-UHFFFAOYSA-N
DG58257	"7,8-Dimethyl-1-[(4-chlorophenyl)amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	395413	"NSC699949; CHEMBL2002321; NSC-699949; NCI60_035842; 7,8-Dimethyl-1-[(4-chlorophenyl)amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699949	.	.	.	.	422.9	C26H19ClN4	53.1	662	7.8	31	1	3	3	"InChI=1S/C26H19ClN4/c1-16-12-23-24(13-17(16)2)31-25(29-20-10-8-19(27)9-11-20)14-21(18-6-4-3-5-7-18)22(15-28)26(31)30-23/h3-14,29H,1-2H3"	CC1=CC2=C(C=C1C)N3C(=CC(=C(C3=N2)C#N)C4=CC=CC=C4)NC5=CC=C(C=C5)Cl	FMROIAUBQROLMQ-UHFFFAOYSA-N
DG58258	"2-[(4-fluorophenyl)diazenyl]-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile"	395420	NSC699956; CHEMBL1975998; NSC-699956; NCI60_035849	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699956	.	.	.	.	407.4	C24H14FN5O	80.8	870	4.5	31	1	6	3	"InChI=1S/C24H14FN5O/c25-16-10-12-17(13-11-16)28-29-22-21(15-6-2-1-3-7-15)18(14-26)23-27-19-8-4-5-9-20(19)30(23)24(22)31/h1-13,27H"	C1=CC=C(C=C1)C2=C(C(=O)N3C4=CC=CC=C4NC3=C2C#N)N=NC5=CC=C(C=C5)F	LISSANPHEMECBU-UHFFFAOYSA-N
DG58259	"2-[(4-fluorophenyl)diazenyl]-7,8-dimethyl-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile"	395421	NSC699957; CHEMBL1966345; NSC-699957; NCI60_035850	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699957	.	.	.	.	435.5	C26H18FN5O	80.8	932	5.2	33	1	6	3	"InChI=1S/C26H18FN5O/c1-15-12-21-22(13-16(15)2)32-25(29-21)20(14-28)23(17-6-4-3-5-7-17)24(26(32)33)31-30-19-10-8-18(27)9-11-19/h3-13,29H,1-2H3"	CC1=CC2=C(C=C1C)N3C(=C(C(=C(C3=O)N=NC4=CC=C(C=C4)F)C5=CC=CC=C5)C#N)N2	LIZUEMPYVGXLRF-UHFFFAOYSA-N
DG58260	"7,8-dimethyl-1-oxo-3-phenyl-2-[[3-(trifluoromethyl)phenyl]diazenyl]-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile"	395423	NSC699959; CHEMBL1981765; NSC-699959; NCI60_035852	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699959	.	.	.	.	485.5	C27H18F3N5O	80.8	1030	6	36	1	8	3	"InChI=1S/C27H18F3N5O/c1-15-11-21-22(12-16(15)2)35-25(32-21)20(14-31)23(17-7-4-3-5-8-17)24(26(35)36)34-33-19-10-6-9-18(13-19)27(28,29)30/h3-13,32H,1-2H3"	CC1=CC2=C(C=C1C)N3C(=C(C(=C(C3=O)N=NC4=CC=CC(=C4)C(F)(F)F)C5=CC=CC=C5)C#N)N2	QQASDVVPWXMREH-UHFFFAOYSA-N
DG58261	"1-oxo-3-phenyl-2-(piperidin-1-ylmethyl)-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile"	395424	NSC699960; CHEMBL2005868; NSC-699960; NCI60_035853	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699960	.	.	.	.	382.5	C24H22N4O	59.4	776	3.1	29	1	4	3	"InChI=1S/C24H22N4O/c25-15-18-22(17-9-3-1-4-10-17)19(16-27-13-7-2-8-14-27)24(29)28-21-12-6-5-11-20(21)26-23(18)28/h1,3-6,9-12,26H,2,7-8,13-14,16H2"	C1CCN(CC1)CC2=C(C(=C3NC4=CC=CC=C4N3C2=O)C#N)C5=CC=CC=C5	SCKRKOIKKSEPRH-UHFFFAOYSA-N
DG58262	Roserine	395426	roserine; CHEMBL1975672; NSC699962; NSC-699962	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699962	.	.	.	.	335.8	C18H22ClNO3	31.6	404	.	23	0	4	3	"InChI=1S/C18H22NO3.ClH/c1-20-15-9-13-12-6-4-5-11-7-8-19(16(11)12)10-14(13)17(21-2)18(15)22-3;/h9-11H,4-8H2,1-3H3;1H/q+1;/p-1"	COC1=C(C(=C2C=[N+]3CCC4C3=C(C2=C1)CCC4)OC)OC.[Cl-]	GAGYWNMHSSQDPR-UHFFFAOYSA-M
DG58263	2-[4-[Acetoxy(acetyl)amino]phenyl]benzothiazole	395430	NSC699968; CHEMBL135245; NSC-699968; NCI60_035857; 2-[4-[Acetoxy(acetyl)amino]phenyl]benzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699968	.	.	.	.	326.4	C17H14N2O3S	87.7	451	3.7	23	0	5	4	"InChI=1S/C17H14N2O3S/c1-11(20)19(22-12(2)21)14-9-7-13(8-10-14)17-18-15-5-3-4-6-16(15)23-17/h3-10H,1-2H3"	CC(=O)N(C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)OC(=O)C	NIUPMRLCBYEXEE-UHFFFAOYSA-N
DG58264	2-[3-Hydroxy-4-(acetylamino)phenyl]benzothiazole	395431	NSC699969; CHEMBL424273; NSC-699969; NCI60_035858; 2-[3-Hydroxy-4-(acetylamino)phenyl]benzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699969	.	.	.	.	284.3	C15H12N2O2S	90.5	366	3.1	20	2	4	2	"InChI=1S/C15H12N2O2S/c1-9(18)16-11-7-6-10(8-13(11)19)15-17-12-4-2-3-5-14(12)20-15/h2-8,19H,1H3,(H,16,18)"	CC(=O)NC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)O	LNNXVNLFEWMDCK-UHFFFAOYSA-N
DG58265	"5,8-Dimethoxy-4-methylquinoline"	395433	"5,8-Dimethoxy-4-methylquinoline; 58868-33-0; NSC699978; CHEMBL1896903; 4-methyl-5,8-dimethoxyquinoline; DTXSID50327890; ZINC13223275; MCULE-7857113719; NSC-699978; NCGC00184211-01; NCI60_035860; AE-508/43283516"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699978	.	.	.	.	203.24	C12H13NO2	31.4	210	2.2	15	0	3	2	"InChI=1S/C12H13NO2/c1-8-6-7-13-12-10(15-3)5-4-9(14-2)11(8)12/h4-7H,1-3H3"	CC1=CC=NC2=C(C=CC(=C12)OC)OC	NTCXGWIDEYATBA-UHFFFAOYSA-N
DG58266	"5-(4-bromobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione"	395437	"5-(4-bromobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione; 57270-85-6; NSC699982; CHEMBL1996232; HMS1608G06; 5-(4-Bromo-benzylidene)-1,3-dimethyl-pyrimidine-2,4,6-trione; ZINC2990271; STK170335; 5-[(4-bromophenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione; AKOS000324562; MCULE-4060491814; NSC-699982; NCI60_035864; Z44299033; 1,3-Dimethyl-5-(4-bromobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699982	.	.	.	.	323.14	C13H11BrN2O3	57.7	427	2	19	0	3	1	"InChI=1S/C13H11BrN2O3/c1-15-11(17)10(12(18)16(2)13(15)19)7-8-3-5-9(14)6-4-8/h3-7H,1-2H3"	CN1C(=O)C(=CC2=CC=C(C=C2)Br)C(=O)N(C1=O)C	WRQMCSDHNXASKP-UHFFFAOYSA-N
DG58267	"7,7-bis(dimethylamino)-6,6-difluoro-5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione"	395443	NSC699988; CHEMBL1981859; NSC-699988; NCI60_035870	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699988	.	.	.	.	424.4	C20H26F2N4O4	65.6	739	1.9	30	0	8	4	"InChI=1S/C20H26F2N4O4/c1-23(2)20(24(3)4)19(21,22)15(12-8-10-13(29-7)11-9-12)14-16(27)25(5)18(28)26(6)17(14)30-20/h8-11,15H,1-7H3"	CN1C2=C(C(C(C(O2)(N(C)C)N(C)C)(F)F)C3=CC=C(C=C3)OC)C(=O)N(C1=O)C	GQPAQKAFLUFZDY-UHFFFAOYSA-N
DG58268	5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile	395460	"138564-59-7; 5-Methyl-2-((2-nitrophenyl)amino)thiophene-3-carbonitrile; 3-Cyano-5-methyl-2-(2-nitroanilino)thiophene; 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile; 5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile; 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile; 2-(2-Nitroanilino)-5-methylthiophene-3-carbonitrile; 5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile; UNII-J7X181M78Y; 3-Thiophenecarbonitrile, 5-methyl-2-[(2-nitrophenyl)amino]-; J7X181M78Y; MFCD06408054; NSC700023; 2-(2-nitroanilino)-5-methyl-thiophene-3-carbonitrile; 5-methyl-2-(2-nitrophenylamino)thiophene-3-carbonitrile; MNPATCN; ROY; 2-(2-nitroanilino)-5-methyl-3-thiophenecarbonitrile; 2-{2-nitroanilino}-5-methyl-3-thiophenecarbonitrile; 3-Thiophenecarbonitrile, 5-methyl-2-((2-nitrophenyl)amino)-; 2-(2-Nitrophenylamine)-3-Cyano-5-Methylthiofuran; Olanzapine impurity A; EC 421-300-1; MLS006010893; Olanzapine Related Compound A; SCHEMBL725098; AMY284; 5-Methyl-2-(2-nitrophenylamino)-3-thiophenecarbonitrile; CHEMBL1990114; DTXSID40160713; BCP16531; ZINC4101102; AKOS015899901; AC-1687; NSC-700023; QC-6128; AS-11429; NCI60_035882; SMR002530034; SY007799; DB-042432; FT-0643289; M2138; F16691; 564C597; A807401; AR-438/43237645; 5-methyl-2-(2-nitroanilino)-3-thiophenecarbonitrile; Q27281324; 2-(2-NITROANILINO)-5-METHYL THIOPHENE-3-CARBONITRILE; 2-(2-(Hydroxy(oxido)amino)anilino)-5-methyl-3-thiophenecarbonitrile; 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile;5-Methyl-2-((2-nitrophenyl)amino)thiophene-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700023	.	.	.	.	259.29	C12H9N3O2S	110	362	4	18	1	5	2	"InChI=1S/C12H9N3O2S/c1-8-6-9(7-13)12(18-8)14-10-4-2-3-5-11(10)15(16)17/h2-6,14H,1H3"	CC1=CC(=C(S1)NC2=CC=CC=C2[N+](=O)[O-])C#N	NPXUFPFFHANGDL-UHFFFAOYSA-N
DG58269	"4,5-Dimethyl-2-(2-nitroanilino)thiophene-3-carbonitrile"	395462	"NSC700025; 4,5-dimethyl-2-(2-nitroanilino)thiophene-3-carbonitrile; CHEMBL1981473; NSC-700025; NCI60_035884; 2-(2-(Hydroxy(oxido)amino)anilino)-4,5-dimethyl-3-thiophenecarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700025	.	.	.	.	273.31	C13H11N3O2S	110	389	4.3	19	1	5	2	"InChI=1S/C13H11N3O2S/c1-8-9(2)19-13(10(8)7-14)15-11-5-3-4-6-12(11)16(17)18/h3-6,15H,1-2H3"	CC1=C(SC(=C1C#N)NC2=CC=CC=C2[N+](=O)[O-])C	LONXKUMLSKYUAV-UHFFFAOYSA-N
DG58270	Methyl 2-(4-bromo-2-thienyl)-5-cyano-1H-pyrrole-3-carboxylate	395470	NSC700033; CHEMBL1977785; NSC-700033; NCI60_035892; Methyl 2-(4-bromo-2-thienyl)-5-cyano-1H-pyrrole-3-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700033	.	.	.	.	311.16	C11H7BrN2O2S	94.1	357	2.7	17	1	4	3	"InChI=1S/C11H7BrN2O2S/c1-16-11(15)8-3-7(4-13)14-10(8)9-2-6(12)5-17-9/h2-3,5,14H,1H3"	COC(=O)C1=C(NC(=C1)C#N)C2=CC(=CS2)Br	AZYSSXQXNGPHLZ-UHFFFAOYSA-N
DG58271	Methyl 2-(5-bromo-2-thienyl)-5-cyano-1H-pyrrole-3-carboxylate	395471	NSC700034; CHEMBL1993489; NSC-700034; NCI60_035893; Methyl 2-(5-bromo-2-thienyl)-5-cyano-1H-pyrrole-3-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700034	.	.	.	.	311.16	C11H7BrN2O2S	94.1	357	3	17	1	4	3	"InChI=1S/C11H7BrN2O2S/c1-16-11(15)7-4-6(5-13)14-10(7)8-2-3-9(12)17-8/h2-4,14H,1H3"	COC(=O)C1=C(NC(=C1)C#N)C2=CC=C(S2)Br	AKPFKOYLXTVTSF-UHFFFAOYSA-N
DG58272	Diazonamide A	395475	"Diazonamide A; CHEMBL1987734; 406216-98-6; NSC700089; NSC-700089; Butanamide,7S,10S,27aS)-16,18-dichloro-7,8,9,10- tetrahydro-10-(1-methylethyl)-8-oxo-6H,19H-14,17-epoxy-~ 3,5-etheno-1,23,27-(iminomethyno)-13,11-nitrilo-1H-furo~ [3',4':10,11][1,4]oxaazacyclododecino[12,11-g]pyrrolo[2,3,4~ -rs][4]benzazacyclopentadecin-7-yl]-2-hydroxy-3-methyl-, (2S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700089	.	.	.	.	765.6	C40H34Cl2N6O6	168	1480	7.6	54	5	9	4	"InChI=1S/C40H34Cl2N6O6/c1-15(2)27-37-46-29-32(54-37)40-20-9-5-8-19(18-7-6-10-22-25(18)26(33(41)43-22)31-34(42)48-38(29)53-31)28(20)47-39(40)52-24-12-11-17(13-21(24)40)14-23(35(50)45-27)44-36(51)30(49)16(3)4/h5-13,15-16,23,27,30,39,43,47,49H,14H2,1-4H3,(H,44,51)(H,45,50)/t23-,27-,30-,39-,40-/m0/s1"	CC(C)[C@H]1C2=NC3=C(O2)[C@]45[C@@H](NC6=C(C=CC=C64)C7=C8C(=CC=C7)NC(=C8C9=C(N=C3O9)Cl)Cl)OC2=C5C=C(C[C@@H](C(=O)N1)NC(=O)[C@H](C(C)C)O)C=C2	YKBUODYYSZSEIY-PLSHLZFXSA-N
DG58273	"Dimethyl 3-bromo-3-(bromomethyl)cyclopropane-1,2-dicarboxylate"	395481	"NSC700122; NSC700120; dimethyl 3-bromo-3-(bromomethyl)cyclopropane-1,2-dicarboxylate; NSC-700122; NCI60_035904; Dimethyl 3-bromo-3-(bromomethyl)-1,2-cyclopropanedicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700122	.	.	.	.	329.97	C8H10Br2O4	52.6	244	1.1	14	0	4	5	"InChI=1S/C8H10Br2O4/c1-13-6(11)4-5(7(12)14-2)8(4,10)3-9/h4-5H,3H2,1-2H3"	COC(=O)C1C(C1(CBr)Br)C(=O)OC	DOUBHCUUZBHXSK-UHFFFAOYSA-N
DG58274	"4-(2-Hydroxyphenyl)-2-phenyl-1-(2-thienyl)-1,4-butanedione"	395485	"NSC700126; CHEMBL2005176; NSC-700126; NCI60_035908; 4-(2-Hydroxyphenyl)-2-phenyl-1-(2-thienyl)-1,4-butanedione; 4-(2-hydroxyphenyl)-2-phenyl-1-(2-thienyl)butane-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700126	.	.	.	.	336.4	C20H16O3S	82.6	444	4.8	24	1	4	6	"InChI=1S/C20H16O3S/c21-17-10-5-4-9-15(17)18(22)13-16(14-7-2-1-3-8-14)20(23)19-11-6-12-24-19/h1-12,16,21H,13H2"	C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2O)C(=O)C3=CC=CS3	JPGNCOUKNQQTIF-UHFFFAOYSA-N
DG58275	"15-Methyl-14-phenyl-3,8-dithia-15-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,13-hexaene"	395490	"NSC700132; CHEMBL2004137; NSC-700132; NCI60_035914; 9-Methyl-8-phenyl-9H-dithieno[3,2-e:3,2-g]indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700132	.	.	.	.	319.4	C19H13NS2	61.4	422	5.7	22	0	2	1	"InChI=1S/C19H13NS2/c1-20-16(12-5-3-2-4-6-12)11-15-13-7-9-21-18(13)14-8-10-22-19(14)17(15)20/h2-11H,1H3"	CN1C(=CC2=C3C=CSC3=C4C=CSC4=C21)C5=CC=CC=C5	ITNNWRSCEHRMRR-UHFFFAOYSA-N
DG58276	"1-Methyl-2,3,5-tris(2-thienyl)pyrrole"	395491	"NSC700133; CHEMBL1981892; NSC-700133; 1-methyl-2,3,5-tris(2-thienyl)pyrrole; NCI60_035915; 1-Methyl-2,3,5-tri(2-thienyl)-1H-pyrrole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700133	.	.	.	.	327.5	C17H13NS3	89.6	364	4.8	21	0	3	3	"InChI=1S/C17H13NS3/c1-18-13(15-6-3-9-20-15)11-12(14-5-2-8-19-14)17(18)16-7-4-10-21-16/h2-11H,1H3"	CN1C(=CC(=C1C2=CC=CS2)C3=CC=CS3)C4=CC=CS4	MWDLLINXKFKNRR-UHFFFAOYSA-N
DG58277	6-(Hydroxymethyl)-4-oxo-4H-pyran-3-yl 4-methylbenzenesulfonate	395499	"NSC700141; 6-(Hydroxymethyl)-4-oxo-4H-pyran-3-yl 4-methylbenzenesulfonate; CHEMBL1970421; ZINC1861786; NSC-700141; NCI60_035923; [6-(hydroxymethyl)-4-oxo-pyran-3-yl] 4-methylbenzenesulfonate; 4H-Pyran-4-one, 2-(hydroxymethyl)-5-[[(4-methylphenyl)sulfonyl]oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700141	.	.	.	.	296.3	C13H12O6S	98.3	532	0.9	20	1	6	4	"InChI=1S/C13H12O6S/c1-9-2-4-11(5-3-9)20(16,17)19-13-8-18-10(7-14)6-12(13)15/h2-6,8,14H,7H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)OC2=COC(=CC2=O)CO	BYDFHDQOBGSPEW-UHFFFAOYSA-N
DG58278	"3-[Bis(4-methoxyphenyl)methylene]-4-isopropylidene-1-phenyl-pyrrolidine-2,5-dione"	395502	"NSC700144; CHEMBL1975875; NSC-700144; NCI60_035926; 3-(Bis(4-methoxyphenyl)methylene)-4-(1-methylethylidene)-1-phenyl-2,5-pyrrolidinedione; 3-[bis(4-methoxyphenyl)methylene]-4-isopropylidene-1-phenyl-pyrrolidine-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700144	.	.	.	.	439.5	C28H25NO4	55.8	761	6.1	33	0	4	5	"InChI=1S/C28H25NO4/c1-18(2)24-26(28(31)29(27(24)30)21-8-6-5-7-9-21)25(19-10-14-22(32-3)15-11-19)20-12-16-23(33-4)17-13-20/h5-17H,1-4H3"	CC(=C1C(=C(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C(=O)N(C1=O)C4=CC=CC=C4)C	HZVZOIAQIBQJMQ-UHFFFAOYSA-N
DG58279	"Ethyl 4,7-diacetyloxy-1-benzothiophene-2-carboxylate"	395505	NSC700147; CHEMBL2003036; NSC-700147; NCI60_035929	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700147	.	.	.	.	322.3	C15H14O6S	107	451	3	22	0	7	7	"InChI=1S/C15H14O6S/c1-4-19-15(18)13-7-10-11(20-8(2)16)5-6-12(14(10)22-13)21-9(3)17/h5-7H,4H2,1-3H3"	CCOC(=O)C1=CC2=C(C=CC(=C2S1)OC(=O)C)OC(=O)C	UZHLIVHDPREMDM-UHFFFAOYSA-N
DG58280	"2,2-Dimethyl-1,3-benzodioxol-4-yl 2,4-bis(methoxymethoxy)benzoate"	395507	"NSC700149; CHEMBL1964603; (2,2-dimethyl-1,3-benzodioxol-4-yl) 2,4-bis(methoxymethoxy)benzoate; 2,2-Dimethyl-1,3-benzodioxol-4-yl 2,4-bis(methoxymethoxy)benzoate; NSC-700149; NCI60_035931"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700149	.	.	.	.	390.4	C20H22O8	81.7	510	3.6	28	0	8	9	"InChI=1S/C20H22O8/c1-20(2)27-16-7-5-6-15(18(16)28-20)26-19(21)14-9-8-13(24-11-22-3)10-17(14)25-12-23-4/h5-10H,11-12H2,1-4H3"	CC1(OC2=C(O1)C(=CC=C2)OC(=O)C3=C(C=C(C=C3)OCOC)OCOC)C	WRSDQBKUZWQEGS-UHFFFAOYSA-N
DG58281	"1-(5-(3-(1,3-Benzodioxol-5-yl)-5-phenyl-2-furyl)-2-thienyl)ethanone"	395509	"NSC700199; 1-(5-(3-(1,3-Benzodioxol-5-yl)-5-phenyl-2-furyl)-2-thienyl)ethanone; 1-[5-[3-(1,3-benzodioxol-5-yl)-5-phenyl-2-furyl]-2-thienyl]ethanone; CHEMBL1991320; NSC-700199; NCI60_035933"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700199	.	.	.	.	388.4	C23H16O4S	76.9	563	5.5	28	0	5	4	"InChI=1S/C23H16O4S/c1-14(24)21-9-10-22(28-21)23-17(12-19(27-23)15-5-3-2-4-6-15)16-7-8-18-20(11-16)26-13-25-18/h2-12H,13H2,1H3"	CC(=O)C1=CC=C(S1)C2=C(C=C(O2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5	HYXUDRJIGUUASB-UHFFFAOYSA-N
DG58282	"5-Phenyl-2,3-bis(2-thienyl)thiophene"	395510	"NSC700200; CHEMBL1976282; NSC-700200; 5-phenyl-2,3-bis(2-thienyl)thiophene; NCI60_035934; 2,2':3',2''-Terthiophene, 5'-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700200	.	.	.	.	324.5	C18H12S3	84.7	339	6	21	0	3	3	InChI=1S/C18H12S3/c1-2-6-13(7-3-1)17-12-14(15-8-4-10-19-15)18(21-17)16-9-5-11-20-16/h1-12H	C1=CC=C(C=C1)C2=CC(=C(S2)C3=CC=CS3)C4=CC=CS4	QAEJTKNMMHNLBM-UHFFFAOYSA-N
DG58283	"2-Butyl-5-(4-(5-butyl-2-thienyl)-1,3-butadiynyl)thiophene"	395511	"NSC700201; CHEMBL1969555; NSC-700201; NCI60_035935; 2-Butyl-5-(4-(5-butyl-2-thienyl)-1,3-butadiynyl)thiophene; 2-butyl-5-[4-(5-butyl-2-thienyl)buta-1,3-diynyl]thiophene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700201	.	.	.	.	326.5	C20H22S2	56.5	411	7.2	22	0	2	9	"InChI=1S/C20H22S2/c1-3-5-9-17-13-15-19(21-17)11-7-8-12-20-16-14-18(22-20)10-6-4-2/h13-16H,3-6,9-10H2,1-2H3"	CCCCC1=CC=C(S1)C#CC#CC2=CC=C(S2)CCCC	YVSMURAIFQAOHJ-UHFFFAOYSA-N
DG58284	"2-(2-Furyl)-1-methyl-3,5-bis(2-thienyl)pyrrole"	395512	"NSC700202; CHEMBL2005242; SCHEMBL21379770; NSC-700202; NCI60_035936; 2-(2-furyl)-1-methyl-3,5-bis(2-thienyl)pyrrole; 2-(2-Furyl)-1-methyl-3,5-di(2-thienyl)-1H-pyrrole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700202	.	.	.	.	311.4	C17H13NOS2	74.6	367	4.1	21	0	3	3	"InChI=1S/C17H13NOS2/c1-18-13(16-7-4-10-21-16)11-12(15-6-3-9-20-15)17(18)14-5-2-8-19-14/h2-11H,1H3"	CN1C(=CC(=C1C2=CC=CO2)C3=CC=CS3)C4=CC=CS4	ZAAGCPJMCAHQPZ-UHFFFAOYSA-N
DG58285	"4-(2-Furyl)-1-(2-thienyl)-2-(3-thienyl)-1,4-butanedione"	395523	"NSC700213; CHEMBL2006361; NSC-700213; NCI60_035947; 4-(2-Furyl)-1-(2-thienyl)-2-(3-thienyl)-1,4-butanedione; 4-(2-furyl)-1-(2-thienyl)-2-(3-thienyl)butane-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700213	.	.	.	.	316.4	C16H12O3S2	104	399	3.6	21	0	5	6	"InChI=1S/C16H12O3S2/c17-13(14-3-1-6-19-14)9-12(11-5-8-20-10-11)16(18)15-4-2-7-21-15/h1-8,10,12H,9H2"	C1=COC(=C1)C(=O)CC(C2=CSC=C2)C(=O)C3=CC=CS3	KFXOCNYXQLATHQ-UHFFFAOYSA-N
DG58286	"2-(1,3-Benzodioxol-5-yl)-4-phenyl-1-(3-thienyl)-1,4-butanedione"	395524	"NSC700214; CHEMBL1998862; NSC-700214; NCI60_035948; 2-(1,3-Benzodioxol-5-yl)-4-phenyl-1-(3-thienyl)-1,4-butanedione; 2-(1,3-benzodioxol-5-yl)-4-phenyl-1-(3-thienyl)butane-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700214	.	.	.	.	364.4	C21H16O4S	80.8	516	4	26	0	5	6	"InChI=1S/C21H16O4S/c22-18(14-4-2-1-3-5-14)11-17(21(23)16-8-9-26-12-16)15-6-7-19-20(10-15)25-13-24-19/h1-10,12,17H,11,13H2"	C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CC=CC=C3)C(=O)C4=CSC=C4	VSCXIPVGAHJNJA-UHFFFAOYSA-N
DG58287	"2,4-Diphenyl-1-(3-thienyl)-1,4-butanedione"	395525	"NSC700215; CHEMBL1986430; NSC-700215; NCI60_035949; 2,4-Diphenyl-1-(3-thienyl)-1,4-butanedione; 2,4-diphenyl-1-(3-thienyl)butane-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700215	.	.	.	.	320.4	C20H16O2S	62.4	408	4.2	23	0	3	6	"InChI=1S/C20H16O2S/c21-19(16-9-5-2-6-10-16)13-18(15-7-3-1-4-8-15)20(22)17-11-12-23-14-17/h1-12,14,18H,13H2"	C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(=O)C3=CSC=C3	PQZHNLLMWGSENC-UHFFFAOYSA-N
DG58288	"1-(4-Methoxyphenyl)-5-phenyl-2,3-bis(2-thienyl)pyrrole"	395531	"NSC700221; CHEMBL1967764; NSC-700221; NCI60_035955; 1-(4-methoxyphenyl)-5-phenyl-2,3-bis(2-thienyl)pyrrole; 1-(4-Methoxyphenyl)-5-phenyl-2,3-di(2-thienyl)-1H-pyrrole; Methyl 4-(5-phenyl-2,3-di(2-thienyl)-1H-pyrrol-1-yl)phenyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700221	.	.	.	.	413.6	C25H19NOS2	70.6	517	6.7	29	0	3	5	"InChI=1S/C25H19NOS2/c1-27-20-13-11-19(12-14-20)26-22(18-7-3-2-4-8-18)17-21(23-9-5-15-28-23)25(26)24-10-6-16-29-24/h2-17H,1H3"	COC1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CS3)C4=CC=CS4)C5=CC=CC=C5	YBHIJPKGACWFCS-UHFFFAOYSA-N
DG58289	"2,2':3',2''-Terthiophene"	395532	"2,2':3',2''-Terthiophene; 2,3-dithiophen-2-ylthiophene; 111744-23-1; NSC700222; CHEBI:50079; SCHEMBL147273; 2,3-bis(2-thienyl)thiophene; CHEMBL482785; DTXSID90327899; ZINC1861832; AKOS024368118; MCULE-7361098633; NSC-700222; NCI60_035956; DB-019594; X4145; A801814; Q27121892"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700222	.	.	.	.	248.4	C12H8S3	84.7	219	4.3	15	0	3	2	InChI=1S/C12H8S3/c1-3-10(13-6-1)9-5-8-15-12(9)11-4-2-7-14-11/h1-8H	C1=CSC(=C1)C2=C(SC=C2)C3=CC=CS3	SBVKMIQOXJYJIM-UHFFFAOYSA-N
DG58290	"2,2':4',2''-Terthiophene"	395533	"2,2':4',2''-Terthiophene; NSC700224; 21732-47-8; CHEBI:50090; 2,4-bis(2-thienyl)thiophene; 2,4-di(2'-thienyl)thiophene; CHEMBL1977153; SCHEMBL22733865; DTXSID40327900; NSC-700224; NCI60_035958; Q27121899"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700224	.	.	.	.	248.4	C12H8S3	84.7	219	4.3	15	0	3	2	InChI=1S/C12H8S3/c1-3-10(13-5-1)9-7-12(15-8-9)11-4-2-6-14-11/h1-8H	C1=CSC(=C1)C2=CC(=CS2)C3=CC=CS3	DNAIRPZIPJONCV-UHFFFAOYSA-N
DG58291	"2,3':4',2''-Terthiophene"	395534	"2,3':4',2''-Terthiophene; 101306-11-0; 3,4-dithiophen-2-ylthiophene; NSC700225; CHEBI:50089; 2,3:4,2-TErthiophene; 3,4-bis(2-thienyl)thiophene; CHEMBL1968714; SCHEMBL22734783; DTXSID00327901; ZINC1861835; AKOS024368117; MCULE-1837813730; NSC-700225; 4'-(thiophen-2-yl)-2,3'-bithiophene; AS-58256; NCI60_035959; CS-0325495; W18810; Q27121898"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700225	.	.	.	.	248.4	C12H8S3	84.7	197	4.3	15	0	3	2	InChI=1S/C12H8S3/c1-3-11(14-5-1)9-7-13-8-10(9)12-4-2-6-15-12/h1-8H	C1=CSC(=C1)C2=CSC=C2C3=CC=CS3	XMTNPHVYRJHQFV-UHFFFAOYSA-N
DG58292	"2,2':5',3''-Terthiophene"	395535	"2,2':5',3''-Terthiophene; 87149-53-9; 2-(thiophen-2-yl)-5-(thiophen-3-yl)thiophene; 2-thiophen-2-yl-5-thiophen-3-ylthiophene; NSC700226; CHEBI:50082; 5-(thiophen-3-yl)-2,2'-bithiophene; CHEMBL1983109; SCHEMBL22734785; DTXSID60327902; ZINC1861837; MFCD12547018; AKOS015955066; 5-(thiophen-2-yl)-2,3'-bithiophene; NSC-700226; 2-(2-thienyl)-5-(3-thienyl)thiophene; NCI60_035960; Q27121895"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700226	.	.	.	.	248.4	C12H8S3	84.7	219	4.3	15	0	3	2	InChI=1S/C12H8S3/c1-2-11(14-6-1)12-4-3-10(15-12)9-5-7-13-8-9/h1-8H	C1=CSC(=C1)C2=CC=C(S2)C3=CSC=C3	AYFTWZXEBAYLHM-UHFFFAOYSA-N
DG58293	"2,3':5',3''-Terthiophene"	395537	"NSC700228; 2,3':5',3''-Terthiophene; CHEMBL1998913; SCHEMBL22734795; NSC-700228; 4-(2-thienyl)-2-(3-thienyl)thiophene; NCI60_035962"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700228	.	.	.	.	248.4	C12H8S3	84.7	219	4.3	15	0	3	2	InChI=1S/C12H8S3/c1-2-11(14-4-1)10-6-12(15-8-10)9-3-5-13-7-9/h1-8H	C1=CSC(=C1)C2=CSC(=C2)C3=CSC=C3	LMHFDOLDSKSUOD-UHFFFAOYSA-N
DG58294	"3,2':3',3''-Terthiophene"	395539	"3,2':3',3''-Terthiophene; NSC700230; CHEBI:50080; SCHEMBL165236; 2,3-bis(3-thienyl)thiophene; CHEMBL2004549; NSC-700230; NCI60_035964; Q27121894"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700230	.	.	.	.	248.4	C12H8S3	84.7	219	4.3	15	0	3	2	InChI=1S/C12H8S3/c1-4-13-7-9(1)11-3-6-15-12(11)10-2-5-14-8-10/h1-8H	C1=CSC=C1C2=C(SC=C2)C3=CSC=C3	NVKLSOLRWOMZLC-UHFFFAOYSA-N
DG58295	"2,3':2',3''-Terthiophene"	395540	"2,3':2',3''-Terthiophene; NSC700231; CHEBI:50085; CHEMBL1996941; SCHEMBL22734794; NSC-700231; 3-(2-thienyl)-2-(3-thienyl)thiophene; NCI60_035965; Q27121897"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700231	.	.	.	.	248.4	C12H8S3	84.7	219	4.3	15	0	3	2	InChI=1S/C12H8S3/c1-2-11(14-5-1)10-4-7-15-12(10)9-3-6-13-8-9/h1-8H	C1=CSC(=C1)C2=C(SC=C2)C3=CSC=C3	VCVOIRBUZJKYOX-UHFFFAOYSA-N
DG58296	"1-Methyl-3,5-dithiophen-2-yl-2-thiophen-3-ylpyrrole"	395550	NSC700243; CHEMBL1989431; NSC-700243; NCI60_035977	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700243	.	.	.	.	327.5	C17H13NS3	89.6	364	4.7	21	0	3	3	"InChI=1S/C17H13NS3/c1-18-14(16-5-3-8-21-16)10-13(15-4-2-7-20-15)17(18)12-6-9-19-11-12/h2-11H,1H3"	CN1C(=CC(=C1C2=CSC=C2)C3=CC=CS3)C4=CC=CS4	QXASDZSZSFDGGY-UHFFFAOYSA-N
DG58297	"1-Methyl-3-phenyl-2,5-bis(2-thienyl)pyrrole"	395552	"NSC700245; CHEMBL1964584; NSC-700245; NCI60_035979; 1-methyl-3-phenyl-2,5-bis(2-thienyl)pyrrole; 1-Methyl-3-phenyl-2,5-di(2-thienyl)-1H-pyrrole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700245	.	.	.	.	321.5	C19H15NS2	61.4	368	5	22	0	2	3	"InChI=1S/C19H15NS2/c1-20-16(17-9-5-11-21-17)13-15(14-7-3-2-4-8-14)19(20)18-10-6-12-22-18/h2-13H,1H3"	CN1C(=CC(=C1C2=CC=CS2)C3=CC=CC=C3)C4=CC=CS4	MNWIRETYJBMPHC-UHFFFAOYSA-N
DG58298	"(R)-6-(3-Methoxy-phenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	395559	"CHEMBL16116; NSC700265; ZINC1861886; BDBM50063861; ZINC101413670; NSC-700265; NCI60_035987; 1,5-g]quinolin-8(5H)-one, 6,7-dihydro-6-(3-methoxyphenyl)-, (6R)-; (6R)-6,7-Dihydro-6beta-(3-methoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one; (R)-6-(3-Methoxy-phenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; (R)-6-(3-Methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]quinolin-8(5H)-one; 204841-72-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700265	.	.	.	.	297.3	C17H15NO4	56.8	429	2.7	22	1	5	2	"InChI=1S/C17H15NO4/c1-20-11-4-2-3-10(5-11)13-7-15(19)12-6-16-17(22-9-21-16)8-14(12)18-13/h2-6,8,13,18H,7,9H2,1H3/t13-/m1/s1"	COC1=CC=CC(=C1)[C@H]2CC(=O)C3=CC4=C(C=C3N2)OCO4	IIXRKOHTDRHQQN-CYBMUJFWSA-N
DG58299	"4(1H)-Quinolinone,3-dihydro-6-(1-pyrrolidinyl)-"	395560	"CHEMBL16221; NSC700266; BDBM50472208; NSC-700266; NCI60_035988; 4(1H)-Quinolinone,3-dihydro-6-(1-pyrrolidinyl)-; 2,3-Dihydro-2-(3-chlorophenyl)-6-pyrrolizinoquinolin-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700266	.	.	.	.	326.8	C19H19ClN2O	32.299	437	4.2	23	1	3	2	"InChI=1S/C19H19ClN2O/c20-14-5-3-4-13(10-14)18-12-19(23)16-11-15(6-7-17(16)21-18)22-8-1-2-9-22/h3-7,10-11,18,21H,1-2,8-9,12H2"	C1CCN(C1)C2=CC3=C(C=C2)NC(CC3=O)C4=CC(=CC=C4)Cl	ZOEQEDMPQAHJBM-UHFFFAOYSA-N
DG58300	"6-(3-Fluorophenyl)-6,7-dihydro-[1,3]dioxolo[4,5-G]quinolin-8(5H)-one"	395561	"CHEMBL16058; 6-(3-FLUOROPHENYL)-6,7-DIHYDRO-[1,3]DIOXOLO[4,5-G]QUINOLIN-8(5H)-ONE; 204841-46-3; NSC700267; BDBM50472211; NSC-700267; NCI60_035989; 1,5-g]quinolin-8(5H)-one, 6-(3-fluorophenyl)-6,7-dihydro-; 6,7-Dihydro-6-(3-fluorophenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700267	.	.	.	.	285.27	C16H12FNO3	47.6	418	2.8	21	1	5	1	"InChI=1S/C16H12FNO3/c17-10-3-1-2-9(4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)18-12/h1-5,7,12,18H,6,8H2"	C1C(NC2=CC3=C(C=C2C1=O)OCO3)C4=CC(=CC=C4)F	IJYJIPDFDHBJTD-UHFFFAOYSA-N
DG58301	"2,3-Dihydro-2-(3-methoxyphenyl)-6-pyrrolizinoquinolin-4(1H)-one"	395562	"CHEMBL15997; NSC700268; BDBM50472217; NSC-700268; NCI60_035990; 2,3-Dihydro-2-(3-methoxyphenyl)-6-pyrrolizinoquinolin-4(1H)-one; 4(1H)-Quinolinone,3-dihydro-2-(3-methoxyphenyl)-6-(1-pyrrolidinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700268	.	.	.	.	322.4	C20H22N2O2	41.6	449	3.5	24	1	4	3	"InChI=1S/C20H22N2O2/c1-24-16-6-4-5-14(11-16)19-13-20(23)17-12-15(7-8-18(17)21-19)22-9-2-3-10-22/h4-8,11-12,19,21H,2-3,9-10,13H2,1H3"	COC1=CC=CC(=C1)C2CC(=O)C3=C(N2)C=CC(=C3)N4CCCC4	UZLQYIIQUWXCBD-UHFFFAOYSA-N
DG58302	"6-Methyl-2-(3-methyl-2-thienyl)-1,8-naphthyridine-4(1H)-one"	395566	"CHEMBL49517; NSC700272; BDBM50081575; NSC-700272; NCI60_035994; 6-Methyl-2-(3-methyl-2-thienyl)-1,8-naphthyridine-4(1H)-one; 6-Methyl-2-(3-methyl-thiophen-2-yl)-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700272	.	.	.	.	256.32	C14H12N2OS	70.2	382	2.9	18	1	4	1	"InChI=1S/C14H12N2OS/c1-8-5-10-12(17)6-11(16-14(10)15-7-8)13-9(2)3-4-18-13/h3-7H,1-2H3,(H,15,16,17)"	CC1=C(SC=C1)C2=CC(=O)C3=C(N2)N=CC(=C3)C	IZJFLAZOHJGLFN-UHFFFAOYSA-N
DG58303	"6-(2-Fluorophenyl)-7-hydroxy-6,7-dihydro[1,3]dioxolo[4,5-g]quinolin-8(5H)-one"	395568	"NSC700274; CHEMBL1995581; NSC-700274; 6-(2-fluorophenyl)-7-hydroxy-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; 6-(2-Fluorophenyl)-7-hydroxy-6,7-dihydro[1,3]dioxolo[4,5-g]quinolin-8(5H)-one; NCI60_035996; 1,5-g]quinolin-8(5H)-one, 6-(2-fluorophenyl)-6,7-dihydro-7-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700274	.	.	.	.	301.27	C16H12FNO4	67.8	448	2.3	22	2	6	1	"InChI=1S/C16H12FNO4/c17-10-4-2-1-3-8(10)14-16(20)15(19)9-5-12-13(22-7-21-12)6-11(9)18-14/h1-6,14,16,18,20H,7H2"	C1OC2=C(O1)C=C3C(=C2)C(=O)C(C(N3)C4=CC=CC=C4F)O	VRYVHYNUXXKSBQ-UHFFFAOYSA-N
DG58304	"4,8,8-Trimethyl-8H-pyrano[2,3-h]quinolin-2-ol"	395574	"NSC700280; CHEMBL6392; 4,8,8-trimethyl-1H-pyrano[2,3-h]quinolin-2-one; 4,8,8-Trimethyl-8H-pyrano[2,3-h]quinolin-2-ol; NSC-700280; NCI60_036002; 4,8,8-trimethylpyrano[2,3-h]quinolin-2-ol; 4,8,8-trimethylhydro-8H-pyrano[6,5-h]quinolin-2-one; 4,8,8-Trimethyl-1,8-dihydro-2H-pyrano[2,3-h]quinoline-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700280	.	.	.	.	241.28	C15H15NO2	38.3	436	2.2	18	1	2	0	"InChI=1S/C15H15NO2/c1-9-8-13(17)16-14-10(9)4-5-12-11(14)6-7-15(2,3)18-12/h4-8H,1-3H3,(H,16,17)"	CC1=CC(=O)NC2=C1C=CC3=C2C=CC(O3)(C)C	FCVQLBDLMFSDAX-UHFFFAOYSA-N
DG58305	Hexahomotrioxacalix[3]arene	395590	"NSC700320; tritert-butyl[ ]triol; Hexahomotrioxacalix[3]arene; CHEMBL1992029; NSC-700320; NCI60_036003; 7,15,23-Tritert-butyl-3,11,19-trioxatetracyclo[19.3.1.1~5,9~.1~13,17~]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-25,26,27-triol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700320	.	.	.	.	576.8	C36H48O6	88.4	688	7.4	42	3	6	3	"InChI=1S/C36H48O6/c1-34(2,3)28-10-22-16-40-18-24-12-29(35(4,5)6)14-26(32(24)38)20-42-21-27-15-30(36(7,8)9)13-25(33(27)39)19-41-17-23(11-28)31(22)37/h10-15,37-39H,16-21H2,1-9H3"	CC(C)(C)C1=CC2=C(C(=C1)COCC3=CC(=CC(=C3O)COCC4=C(C(=CC(=C4)C(C)(C)C)COC2)O)C(C)(C)C)O	POMGZJQFTLTHSC-UHFFFAOYSA-N
DG58306	p-Chlorohomooxacalix[3]arene	395592	"NSC700322; trichloro[ ]triol; p-Chlorohomooxacalix[3]arene; CHEMBL2004699; NSC-700322; NCI60_036005; 7,15,23-Trichloro-3,11,19-trioxatetracyclo[19.3.1.1~5,9~.1~13,17~]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-25,26,27-triol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700322	.	.	.	.	511.8	C24H21Cl3O6	88.4	492	4.3	33	3	6	0	"InChI=1S/C24H21Cl3O6/c25-19-1-13-7-31-9-15-3-20(26)5-17(23(15)29)11-33-12-18-6-21(27)4-16(24(18)30)10-32-8-14(2-19)22(13)28/h1-6,28-30H,7-12H2"	C1C2=CC(=CC(=C2O)COCC3=CC(=CC(=C3O)COCC4=C(C(=CC(=C4)Cl)CO1)O)Cl)Cl	KTRUYAKVMFPBAU-UHFFFAOYSA-N
DG58307	NSC700323	395593	"Methyl 2-[25,26,27-trihydroxy-11,19-bis(2-methoxy-2-oxoethyl)-7,15,23-trimethyl-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-3-yl]acetate; NSC700323; NCIMech_000759; CHEMBL1964563; CCG-36177; NSC-700323; NCI60_036006; methyl 2-[trihydroxy-bis(2-methoxy-2-oxo-ethyl)-trimethyl-[ ]yl]acetate; 3,11,19-Triazatetracyclo[19.3.1.1~5,9~.1~13,17~]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-3,11,19-triacetic acid, 25,26,27-trihydroxy-7,15,23-trimethyl-, trimethyl ester; Acetic acid,2',2''-[25,26,27-trihydroxy-7,15,23- trimethyl-3,11,19-triazatetracyclo[19.3.1.1(5,9).1(13,17)] heptacos-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen- 3,11,19-triyl]tris-, trimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700323	.	.	.	.	663.8	C36H45N3O9	149	887	3.8	48	3	12	9	"InChI=1S/C36H45N3O9/c1-22-7-25-13-37(19-31(40)46-4)15-27-9-23(2)11-29(35(27)44)17-39(21-33(42)48-6)18-30-12-24(3)10-28(36(30)45)16-38(20-32(41)47-5)14-26(8-22)34(25)43/h7-12,43-45H,13-21H2,1-6H3"	CC1=CC2=C(C(=C1)CN(CC3=CC(=CC(=C3O)CN(CC4=C(C(=CC(=C4)C)CN(C2)CC(=O)OC)O)CC(=O)OC)C)CC(=O)OC)O	FDZLVBBSQQQRQA-UHFFFAOYSA-N
DG58308	NSC700325	395595	"Methyl 2-[33,34,35,36-tetrahydroxy-11,19,27-tris(2-methoxy-2-oxoethyl)-7,15,23,31-tetramethyl-3,11,19,27-tetrazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(32),5,7,9(36),13,15,17(35),21(34),22,24,29(33),30-dodecaen-3-yl]acetate; NSC700325; CHEMBL2005080; NSC-700325; NCI60_036008"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700325	.	.	.	.	885	C48H60N4O12	199	1230	5	64	4	16	12	"InChI=1S/C48H60N4O12/c1-29-9-33-17-49(25-41(53)61-5)19-35-11-30(2)13-37(46(35)58)21-51(27-43(55)63-7)23-39-15-32(4)16-40(48(39)60)24-52(28-44(56)64-8)22-38-14-31(3)12-36(47(38)59)20-50(26-42(54)62-6)18-34(10-29)45(33)57/h9-16,57-60H,17-28H2,1-8H3"	CC1=CC2=C(C(=C1)CN(CC3=CC(=CC(=C3O)CN(CC4=CC(=CC(=C4O)CN(CC5=C(C(=CC(=C5)C)CN(C2)CC(=O)OC)O)CC(=O)OC)C)CC(=O)OC)C)CC(=O)OC)O	DQQGWBUKYBYUJJ-UHFFFAOYSA-N
DG58309	"Formamide, N-(4-chlorophenyl)-1-(ethylsulfinyl)-N-hydroxy-"	395596	"227466-30-0; S-(N-hydroxy-N-p-chlorophenylcarbamoyl)ethylsulfoxide; NSC700332; CHEMBL51227; SCHEMBL6129419; DTXSID00327906; Formamide, N-(4-chlorophenyl)-1-(ethylsulfinyl)-N-hydroxy-; NSC-700332; NCI60_036009; [N-Hydroxy-N-(4-chlorophenyl)carbamoyl](ethyl) sulfoxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700332	.	.	.	.	247.7	C9H10ClNO3S	76.8	254	1.8	15	1	4	3	"InChI=1S/C9H10ClNO3S/c1-2-15(14)9(12)11(13)8-5-3-7(10)4-6-8/h3-6,13H,2H2,1H3"	CCS(=O)C(=O)N(C1=CC=C(C=C1)Cl)O	FYNOLGAAOWMZOK-UHFFFAOYSA-N
DG58310	"(1S)-1-[3-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]-2,2-dimethylcyclobutyl]ethanol"	395601	NSC700346; CHEMBL1965330; NSC-700346; NCI60_036014	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700346	.	.	.	.	276.34	C13H20N6O	103	365	0.9	20	2	6	3	"InChI=1S/C13H20N6O/c1-7(20)9-4-8(13(9,2)3)5-19-12-10(17-18-19)11(14)15-6-16-12/h6-9,20H,4-5H2,1-3H3,(H2,14,15,16)/t7-,8 ,9 /m0/s1"	C[C@@H](C1CC(C1(C)C)CN2C3=NC=NC(=C3N=N2)N)O	YLJIKVLLFPVDGH-UEJVZZJDSA-N
DG58311	"[(1R,3S)-3-[(2-amino-6-chloropurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol"	395604	NSC700349; CHEMBL376217; NSC-700349; NCI60_036017	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700349	.	.	.	.	323.82	C15H22ClN5O	89.8	423	2.5	22	2	5	3	"InChI=1S/C15H22ClN5O/c1-14(2)9(4-5-15(14,3)7-22)6-21-8-18-10-11(16)19-13(17)20-12(10)21/h8-9,22H,4-7H2,1-3H3,(H2,17,19,20)/t9-,15+/m1/s1"	C[C@]1(CC[C@@H](C1(C)C)CN2C=NC3=C2N=C(N=C3Cl)N)CO	OMDWVCNJBDBBFF-PSLIRLAXSA-N
DG58312	"[(1R,3S)-3-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol"	395606	NSC700351; CHEMBL1983683; NSC-700351; NCI60_036019	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700351	.	.	.	.	290.36	C14H22N6O	103	392	1.2	21	2	6	3	"InChI=1S/C14H22N6O/c1-13(2)9(4-5-14(13,3)7-21)6-20-12-10(18-19-20)11(15)16-8-17-12/h8-9,21H,4-7H2,1-3H3,(H2,15,16,17)/t9-,14+/m1/s1"	C[C@]1(CC[C@@H](C1(C)C)CN2C3=NC=NC(=C3N=N2)N)CO	WYFCYAWADTZWLO-OTYXRUKQSA-N
DG58313	"5,6-Bis[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2,3-dicarbonitrile"	395616	"NSC700361; 5,6-bis[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2,3-dicarbonitrile; CHEMBL1965489; NSC-700361; NCI60_036025; Pyrazine-2, 5,6-bis(5-methyl-1,3,4-thiadiazol-2-yl)-; 2,3-Pyrazinedicarbonitrile, 5,6-bis[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700361	.	.	.	.	390.5	C12H6N8S4	232	498	3	24	0	12	4	InChI=1S/C12H6N8S4/c1-5-17-19-11(21-5)23-9-10(24-12-20-18-6(2)22-12)16-8(4-14)7(3-13)15-9/h1-2H3	CC1=NN=C(S1)SC2=NC(=C(N=C2SC3=NN=C(S3)C)C#N)C#N	YJJKFQITKJFDEH-UHFFFAOYSA-N
DG58314	norhomohalichondrin B	395619	norhomohalichondrin B; NSC700368; NSC-700368; NCI60_036028	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700368	.	.	.	.	1093.3	C60H84O18	185	2360	4.6	78	1	18	1	"InChI=1S/C60H84O18/c1-26-13-32-7-9-36-27(2)14-34(63-36)11-12-58-23-46-54(77-58)55-56(71-46)57(78-58)53-37(68-55)10-8-33(66-53)16-48(62)72-52-31(6)51-43(67-42(52)17-38(64-32)30(26)5)19-41-45(70-51)22-60(73-41)24-47-50(76-60)29(4)21-59(75-47)20-28(3)49-44(74-59)18-40-39(69-49)15-35(25-61)65-40/h26,28-29,31-47,49-57,61H,2,5,7-25H2,1,3-4,6H3/t26-,28+,29+,31+,32+,33-,34+,35 ,36+,37+,38 ,39-,40-,41-,42+,43+,44+,45-,46 ,47+,49+,50+,51+,52-,53+,54+,55 ,56+,57+,58+,59-,60+/m1/s1"	C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45CC6[C@H](O4)C7[C@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)O[C@@H]9[C@H]([C@H]3[C@H](C[C@@H]4[C@H](O3)C[C@@]3(O4)C[C@H]4[C@@H](O3)[C@H](C[C@]3(O4)C[C@@H]([C@H]4[C@@H](O3)C[C@@H]3[C@H](O4)CC(O3)CO)C)C)O[C@H]9CC(C1=C)O2)C	DNAWQFLEGPKCPB-RJJJCZGFSA-N
DG58315	"Homohalichondrin B diacetate 19,26-diketone"	395620	"NSC700369; NSC-700369; NCI60_036029; Homohalichondrin B diacetate 19,26-diketone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700369	.	.	.	.	1211.3	C63H86O23	252	2660	3.8	86	0	23	6	"InChI=1S/C63H86O23/c1-26-13-32-7-9-36-35(66)14-34(71-36)11-12-61-23-47-57(85-61)58-59(79-47)60(86-61)56-37(76-58)10-8-33(73-56)15-50(67)80-55-29(4)54-43(75-44(55)19-42(72-32)51(26)68)18-41-46(78-54)22-63(81-41)24-48-53(84-63)28(3)21-62(83-48)20-27(2)52-45(82-62)17-38-39(77-52)16-40(74-38)49(70-31(6)65)25-69-30(5)64/h26-29,32-34,36-49,52-60H,7-25H2,1-6H3/t26-,27+,28+,29+,32+,33-,34+,36+,37+,38-,39-,40 ,41-,42 ,43+,44+,45+,46-,47 ,48+,49 ,52+,53+,54+,55-,56+,57+,58 ,59+,60+,61+,62-,63+/m1/s1"	C[C@@H]1C[C@@H]2CC[C@H]3C(=O)C[C@@H](O3)CC[C@]45CC6[C@H](O4)C7[C@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)O[C@@H]9[C@H]([C@H]3[C@H](C[C@@H]4[C@H](O3)C[C@@]3(O4)C[C@H]4[C@@H](O3)[C@H](C[C@]3(O4)C[C@@H]([C@H]4[C@@H](O3)C[C@@H]3[C@H](O4)CC(O3)C(COC(=O)C)OC(=O)C)C)C)O[C@H]9CC(C1=O)O2)C	PXGXLFJJAPMXSL-CFJVCZLQSA-N
DG58316	Homohalichondrin B aldehyde	395622	Homohalichondrin B aldehyde; NSC700371; NSC-700371; NCI60_036031	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700371	.	.	.	.	1091.3	C60H82O18	182	2390	4.7	78	0	18	1	"InChI=1S/C60H82O18/c1-26-13-32-7-9-36-27(2)14-34(63-36)11-12-58-23-46-54(77-58)55-56(71-46)57(78-58)53-37(68-55)10-8-33(66-53)16-48(62)72-52-31(6)51-43(67-42(52)17-38(64-32)30(26)5)19-41-45(70-51)22-60(73-41)24-47-50(76-60)29(4)21-59(75-47)20-28(3)49-44(74-59)18-40-39(69-49)15-35(25-61)65-40/h25-26,28-29,31-47,49-57H,2,5,7-24H2,1,3-4,6H3/t26-,28+,29+,31+,32+,33-,34+,35 ,36+,37+,38 ,39-,40-,41-,42+,43+,44+,45-,46 ,47+,49+,50+,51+,52-,53+,54+,55 ,56+,57+,58+,59-,60+/m1/s1"	C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45CC6[C@H](O4)C7[C@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)O[C@@H]9[C@H]([C@H]3[C@H](C[C@@H]4[C@H](O3)C[C@@]3(O4)C[C@H]4[C@@H](O3)[C@H](C[C@]3(O4)C[C@@H]([C@H]4[C@@H](O3)C[C@@H]3[C@H](O4)CC(O3)C=O)C)C)O[C@H]9CC(C1=C)O2)C	UKNLMCCEHUGESB-RJJJCZGFSA-N
DG58317	Homohalichondrin B 26-diol	395624	Homohalichondrin B 26-diol; NSC700373; NSC-700373; NCI60_036033	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700373	.	.	.	.	1157.3	C61H88O21	246	2440	2.4	82	4	21	3	"InChI=1S/C61H88O21/c1-26-12-33-10-11-58-22-45-54(81-58)55-56(75-45)57(82-58)53-36(72-55)9-7-32(69-53)14-48(65)76-52-30(5)51-41(71-42(52)18-47-61(66,25-63)29(4)13-31(68-47)6-8-35(26)67-33)17-40-44(74-51)21-60(77-40)23-46-50(80-60)28(3)20-59(79-46)19-27(2)49-43(78-59)16-38-39(73-49)15-37(70-38)34(64)24-62/h27-47,49-57,62-64,66H,1,6-25H2,2-5H3/t27-,28-,29+,30-,31-,32+,33-,34 ,35-,36-,37 ,38+,39+,40+,41-,42-,43-,44+,45 ,46-,47 ,49-,50-,51-,52+,53-,54-,55 ,56-,57-,58-,59+,60-,61 /m0/s1"	C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45CC6[C@H](O4)C7[C@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)O[C@@H]9[C@H]([C@H]3[C@H](C[C@@H]4[C@H](O3)C[C@@]3(O4)C[C@H]4[C@@H](O3)[C@H](C[C@]3(O4)C[C@@H]([C@H]4[C@@H](O3)C[C@@H]3[C@H](O4)CC(O3)C(CO)O)C)C)O[C@H]9CC(C1(CO)O)O2)C	ACHMYBPPMAJJMF-QJKUACSYSA-N
DG58318	"12-(4-chlorophenyl)-10H-isoindolo[1,2-b]quinazolin-12-ol"	395630	"NSC700414; CHEMBL131792; 12-(4-chlorophenyl)-10H-isoindolo[1,2-b]quinazolin-12-ol; NSC-700414; NCI60_036038; Isoindolo[1, 12-(4-chlorophenyl)-10,12-dihydro-; Isoindolo[1,2-b]quinazolin-12-ol, 12-(4-chlorophenyl)-10,12-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700414	.	.	.	.	346.8	C21H15ClN2O	35.8	544	3.7	25	1	2	1	"InChI=1S/C21H15ClN2O/c22-16-11-9-15(10-12-16)21(25)18-7-3-2-6-17(18)20-23-19-8-4-1-5-14(19)13-24(20)21/h1-12,25H,13H2"	C1C2=CC=CC=C2N=C3N1C(C4=CC=CC=C43)(C5=CC=C(C=C5)Cl)O	VETUKMSKEWYIOQ-UHFFFAOYSA-N
DG58319	"6-(3-Allyloxyphenyl)-3,4-dihydro-2h-pyrimido[1,2-b]isoindol-6-ol"	395631	"NSC700415; CHEMBL555778; NSC-700415; 6-(3-allyloxyphenyl)-3,4-dihydro-2h-pyrimido[1,2-b]isoindol-6-ol; Pyrimido[2,1-a]isoindol-6-ol, 2,3,4,6-tetrahydro-6-[3-(2-propenyloxy)phenyl]-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700415	.	.	.	.	356.8	C20H21ClN2O2	45.1	506	.	25	2	3	4	"InChI=1S/C20H20N2O2.ClH/c1-2-13-24-16-8-5-7-15(14-16)20(23)18-10-4-3-9-17(18)19-21-11-6-12-22(19)20;/h2-5,7-10,14,23H,1,6,11-13H2;1H"	C=CCOC1=CC=CC(=C1)C2(C3=CC=CC=C3C4=NCCCN42)O.Cl	BPECPXIFGVYSCQ-UHFFFAOYSA-N
DG58320	"13-(4-Chlorophenyl)-6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-ol"	395635	"NSC700417; CHEMBL441477; 13-(4-chlorophenyl)-6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-ol; NSC-700417; NCI60_036041; 11H-Isoindolo[2,1-b][2,4]benzodiazepin-13-ol, 13-(4-chlorophenyl)-6,13-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700417	.	.	.	.	360.8	C22H17ClN2O	35.8	558	3.7	26	1	2	1	"InChI=1S/C22H17ClN2O/c23-18-11-9-17(10-12-18)22(26)20-8-4-3-7-19(20)21-24-13-15-5-1-2-6-16(15)14-25(21)22/h1-12,26H,13-14H2"	C1C2=CC=CC=C2CN3C(=N1)C4=CC=CC=C4C3(C5=CC=C(C=C5)Cl)O	DGLUIONDYMRDKN-UHFFFAOYSA-N
DG58321	"2,5-Dihydro-5-(1,1'-biphenyl)-4-yl-3H-imidazo(2,1-a)isoindol-5-ol"	395636	"NSC700418; 54941-66-1; BRN 0693697; 2,5-Dihydro-5-(1,1'-biphenyl)-4-yl-3H-imidazo(2,1-a)isoindol-5-ol; 3H-Imidazo(2,1-a)isoindol-5-ol, 2,5-dihydro-5-(1,1'-biphenyl)-4-yl-; 5-24-05-00092 (Beilstein Handbook Reference); CHEMBL1189466; DTXSID40970278; 5-(4-phenylphenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol; NSC-700418; NCI60_036042; 3H-Imidazo[2,1-a]isoindol-5-ol, 5-[1,1'-biphenyl]-4-yl-2,5-dihydro-; 5-([1,1'-Biphenyl]-4-yl)-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700418	.	.	.	.	326.4	C22H18N2O	35.8	518	3.2	25	1	2	2	"InChI=1S/C22H18N2O/c25-22(18-12-10-17(11-13-18)16-6-2-1-3-7-16)20-9-5-4-8-19(20)21-23-14-15-24(21)22/h1-13,25H,14-15H2"	C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC=C(C=C4)C5=CC=CC=C5)O	RCJJPMUSLRERST-UHFFFAOYSA-N
DG58322	"2-(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)naphthalen-1-ol"	395638	"NSC700420; CHEMBL1994197; NSC-700420; NCI60_036044; 2-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)naphthalen-1-ol; 2-(5,5-Dimethyl-4,5-dihydro-1H-imidazol-2-yl)-1-naphthol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700420	.	.	.	.	240.3	C15H16N2O	44.6	350	2.4	18	2	2	1	"InChI=1S/C15H16N2O/c1-15(2)9-16-14(17-15)12-8-7-10-5-3-4-6-11(10)13(12)18/h3-8,18H,9H2,1-2H3,(H,16,17)"	CC1(CN=C(N1)C2=C(C3=CC=CC=C3C=C2)O)C	OBZPVHMPXUURJN-UHFFFAOYSA-N
DG58323	"2-[3-[1-(4-Chlorophenyl)-1-methyl-3-oxo-isoindolin-2-yl]propyl]isoindoline-1,3-dione"	395648	"NSC700430; CHEMBL1967739; NSC-700430; NCI60_036054; 2-[3-[1-(4-chlorophenyl)-1-methyl-3-oxo-isoindolin-2-yl]propyl]isoindoline-1,3-dione; 2-(3-(1-(4-Chlorophenyl)-1-methyl-3-oxo-1,3-dihydro-2H-isoindol-2-yl)propyl)-1H-isoindole-1,3(2H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700430	.	.	.	.	444.9	C26H21ClN2O3	57.7	740	4.5	32	0	3	5	"InChI=1S/C26H21ClN2O3/c1-26(17-11-13-18(27)14-12-17)22-10-5-4-9-21(22)25(32)29(26)16-6-15-28-23(30)19-7-2-3-8-20(19)24(28)31/h2-5,7-14H,6,15-16H2,1H3"	CC1(C2=CC=CC=C2C(=O)N1CCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)Cl	UEOYGPOGBFKUCM-UHFFFAOYSA-N
DG58324	"7H-1,4-Triazolo[3,4-b][1,3,4]thiadiazine, 3,3'-(1,8-octanediyl)bis[6-phenyl-"	395661	"NSC700443; CHEMBL1971407; NSC-700443; NCI60_036067; 7H-1,4-Triazolo[3,4-b][1,3,4]thiadiazine, 3,3'-(1,8-octanediyl)bis[6-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700443	.	.	.	.	542.7	C28H30N8S2	137	747	7.1	38	0	8	11	"InChI=1S/C28H30N8S2/c1(3-11-17-25-29-31-27-35(25)33-23(19-37-27)21-13-7-5-8-14-21)2-4-12-18-26-30-32-28-36(26)34-24(20-38-28)22-15-9-6-10-16-22/h5-10,13-16H,1-4,11-12,17-20H2"	C1C(=NN2C(=NN=C2S1)CCCCCCCCC3=NN=C4N3N=C(CS4)C5=CC=CC=C5)C6=CC=CC=C6	YYPLCJFGFBNWDA-UHFFFAOYSA-N
DG58325	NSC700447	395665	"2-(3-(8-(6-(2-Hydroxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)octyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol; NSC700447; CHEMBL1981717; NSC-700447; NCI60_036071; 2-(3-(8-(6-(2-Hydroxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)octyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol; 2-[3-[8-[6-(2-hydroxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]octyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700447	.	.	.	.	546.7	C26H26N8O2S2	183	698	6.4	38	2	10	11	"InChI=1S/C26H26N8O2S2/c35-19-13-9-7-11-17(19)23-31-33-21(27-29-25(33)37-23)15-5-3-1-2-4-6-16-22-28-30-26-34(22)32-24(38-26)18-12-8-10-14-20(18)36/h7-14,35-36H,1-6,15-16H2"	C1=CC=C(C(=C1)C2=NN3C(=NN=C3S2)CCCCCCCCC4=NN=C5N4N=C(S5)C6=CC=CC=C6O)O	SBSJBIWJJSATGN-UHFFFAOYSA-N
DG58326	"2-(4-Bromophenyl)-1,2,5,6,7,8-hexahydroquinoline-3,3,4,4-tetracarbonitrile"	395673	"NSC700455; 2-(4-bromophenyl)-1,2,5,6,7,8-hexahydroquinoline-3,3,4,4-tetracarbonitrile; CHEMBL2000773; NSC-700455; NCI60_036079; 2-(4-Bromophenyl)-1,2,5,6,7,8-hexahydro-3,3,4,4-quinolinetetracarbonitrile; Quinoline-3,4,4-tetracarbonitrile, 2-(4-bromophenyl)-1,2,3,4,5,6,7,8-octahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700455	.	.	.	.	392.3	C19H14BrN5	107	764	2.5	25	1	5	1	"InChI=1S/C19H14BrN5/c20-14-7-5-13(6-8-14)17-19(11-23,12-24)18(9-21,10-22)15-3-1-2-4-16(15)25-17/h5-8,17,25H,1-4H2"	C1CCC2=C(C1)C(C(C(N2)C3=CC=C(C=C3)Br)(C#N)C#N)(C#N)C#N	WXYMOTVLPYPFNL-UHFFFAOYSA-N
DG58327	"2-Amino-4,4-diethoxy-3'-methyl-5'-oxo-1'-propan-2-ylspiro[3-azabicyclo[3.1.0]hex-2-ene-6,4'-pyrazole]-1,5-dicarbonitrile"	395675	"NSC700457; CHEMBL1995806; NSC-700457; NCI60_036081; 2,2-Diethoxy-4-amino-3'-methyl-5'-oxo-1'-isopropylspiro[3-azabicyclo[3.1.0]hex-3-ene-6,4'-[2]pyrazoline]-1,5-dicarbonitrile; 4,4-diethoxy-2-imino-1'-isopropyl-3'-methyl-5'-oxo-spiro[3-azabicyclo[3.1.0]hexane-6,4'-pyrazole]-1,5-dicarbonitrile; Spiro[3-azabicyclo[3.1.0]hexane-6,4'-[4H]pyrazole]-1,5-dicarbonitrile, 2,2-diethoxy-1',5'-dihydro-4-imino-3'-methyl-1'-(1-methylethyl)-5'-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700457	.	.	.	.	358.4	C17H22N6O3	137	839	-0.9	26	1	7	5	"InChI=1S/C17H22N6O3/c1-6-25-17(26-7-2)15(9-19)14(8-18,12(20)21-17)16(15)11(5)22-23(10(3)4)13(16)24/h10H,6-7H2,1-5H3,(H2,20,21)"	CCOC1(C2(C(C23C(=NN(C3=O)C(C)C)C)(C(=N1)N)C#N)C#N)OCC	PDLDYFLRDISGBV-UHFFFAOYSA-N
DG58328	"4-Morpholino-6-oxo-1-phenyl-1,6-dihydropyrimidine-5-carbonitrile"	395690	"NSC700474; 4-Morpholino-6-oxo-1-phenyl-1,6-dihydropyrimidine-5-carbonitrile; 156273-49-3; CHEMBL1986372; NSC-700474; NCI60_036096; 4-morpholino-6-oxo-1-phenyl-pyrimidine-5-carbonitrile; 3,4-Dihydro-3-phenyl-4-oxo-6-morpholinopyrimidine-5-carbonitrile; 4-(4-Morpholinyl)-6-oxo-1-phenyl-1,6-dihydro-5-pyrimidinecarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700474	.	.	.	.	282.3	C15H14N4O2	68.9	519	0.9	21	0	5	2	"InChI=1S/C15H14N4O2/c16-10-13-14(18-6-8-21-9-7-18)17-11-19(15(13)20)12-4-2-1-3-5-12/h1-5,11H,6-9H2"	C1COCCN1C2=C(C(=O)N(C=N2)C3=CC=CC=C3)C#N	OGANWVGTEGDXSK-UHFFFAOYSA-N
DG58329	"10-(4-Iodophenyl)-7,7,11-trimethyl-2-methylsulfanyl-3-phenoxy-5,10-diazatricyclo[7.3.0.02,5]dodeca-1(9),11-dien-4-one"	395702	"NSC700497; CHEMBL1989485; NSC-700497; NCI60_036108; 2a, 1,3,4,5,6,8b-hexahydro-6-(4-iodophenyl)-4,4,7-trimethyl- 8b-methylsulfanyl-1-phenoxy-; 3-(4-Iodophenyl)-2,5,5-trimethyl-9a-(methylthio)-9-phenoxy-3,4,5,6,9,9a-hexahydro-8H-azeto[1,2-a]pyrrolo[3,2-c]azepin-8-one; 3-(4-iodophenyl)-2,5,5-trimethyl-9a-methylsulfanyl-9-phenoxy-6,9-dihydro-4H-azeto[[ ]]pyrrolo[[ ]]azepin-8-one; 9H-Azetidino[1,2-c]azepin-8(7H)-one, 3,4,5,6,9,9a-hexahydro-3-(4-iodophenyl)-2,5,5-trimethyl-9a-(methylsulfanyl)-9-phenoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700497	.	.	.	.	558.5	C26H27IN2O2S	59.8	706	6	32	0	3	4	"InChI=1S/C26H27IN2O2S/c1-17-14-21-22(29(17)19-12-10-18(27)11-13-19)15-25(2,3)16-28-24(30)23(26(21,28)32-4)31-20-8-6-5-7-9-20/h5-14,23H,15-16H2,1-4H3"	CC1=CC2=C(N1C3=CC=C(C=C3)I)CC(CN4C2(C(C4=O)OC5=CC=CC=C5)SC)(C)C	LKPBYJVYDZDMCT-UHFFFAOYSA-N
DG58330	"7,7,11-Trimethyl-2-methylsulfanyl-10-(4-nitrophenyl)-3-phenoxy-5,10-diazatricyclo[7.3.0.02,5]dodeca-1(9),11-dien-4-one"	395703	"NSC700498; CHEMBL1973741; NSC-700498; NCI60_036109; 2,5,5-trimethyl-9a-methylsulfanyl-3-(4-nitrophenyl)-9-phenoxy-6,9-dihydro-4H-azeto[[ ]]pyrrolo[[ ]]azepin-8-one; 3-(4-(Hydroxy(oxido)amino)phenyl)-2,5,5-trimethyl-9a-(methylthio)-9-phenoxy-3,4,5,6,9,9a-hexahydro-8H-azeto[1,2-a]pyrrolo[3,2-c]azepin-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700498	.	.	.	.	477.6	C26H27N3O4S	106	789	5.2	34	0	5	4	"InChI=1S/C26H27N3O4S/c1-17-14-21-22(28(17)18-10-12-19(13-11-18)29(31)32)15-25(2,3)16-27-24(30)23(26(21,27)34-4)33-20-8-6-5-7-9-20/h5-14,23H,15-16H2,1-4H3"	CC1=CC2=C(N1C3=CC=C(C=C3)[N+](=O)[O-])CC(CN4C2(C(C4=O)OC5=CC=CC=C5)SC)(C)C	JOQMPQQBTPGPFD-UHFFFAOYSA-N
DG58331	"2-Methylaminoestra-2,4,17-trione"	395705	"NSC700500; CHEMBL1988452; 2-Methylaminoestra-2,4,17-trione; NSC-700500; NCI60_036111"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700500	.	.	.	.	313.4	C19H23NO3	63.2	687	2.3	23	1	4	1	"InChI=1S/C19H23NO3/c1-19-8-7-11-10(13(19)5-6-16(19)22)3-4-12-15(21)9-14(20-2)18(23)17(11)12/h9-11,13,20H,3-8H2,1-2H3/t10-,11+,13+,19+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C(=O)C(=CC4=O)NC	JWDXURMBISCZNE-MJXOLFLWSA-N
DG58332	"10beta-Hydroxy-17beta-acetoxyestra-1,4-dien-3-one"	395706	"NSC700501; CHEMBL1998275; NSC-700501; NCI60_036112; 17beta-Acetoxy-10beta-hydroxyestra-1,4-dien-3-one; 10.beta.-Hydroxy-17.beta.-acetoxyestra-1,4-dien-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700501	.	.	.	.	330.4	C20H26O4	63.6	648	2.3	24	1	4	2	"InChI=1S/C20H26O4/c1-12(21)24-18-6-5-16-15-4-3-13-11-14(22)7-10-20(13,23)17(15)8-9-19(16,18)2/h7,10-11,15-18,23H,3-6,8-9H2,1-2H3/t15-,16-,17-,18-,19-,20+/m0/s1"	CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34O)C	CYFXPLNBAALPBN-RPZLJYRGSA-N
DG58333	"1, 2-Chloro-7-[(1-oxopentyl)amino]-, methyl ester"	395721	"NSC700520; CHEMBL1968185; NSC-700520; NCI60_036131; 1, 2-chloro-7-[(1-oxopentyl)amino]-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700520	.	.	.	.	321.76	C15H16ClN3O3	81.2	408	3.1	22	1	5	6	"InChI=1S/C15H16ClN3O3/c1-3-4-5-12(20)17-11-7-6-9-8-10(15(21)22-2)13(16)19-14(9)18-11/h6-8H,3-5H2,1-2H3,(H,17,18,19,20)"	CCCCC(=O)NC1=NC2=NC(=C(C=C2C=C1)C(=O)OC)Cl	JUQXKZLRLDKDRU-UHFFFAOYSA-N
DG58334	"6,22-Dibromo-2,26-diazahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-1,3(12),4(9),5,7,13,15,19(24),20,22,25-undecaene"	395725	NSC700524; CHEMBL1983584; NSC-700524; NCI60_036135	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700524	.	.	.	.	492.2	C24H16Br2N2	25.8	537	6.7	28	0	2	0	"InChI=1S/C24H16Br2N2/c25-18-7-5-13-1-3-15-9-17-10-16-4-2-14-6-8-19(26)12-21(14)23(16)28-24(17)27-22(15)20(13)11-18/h5-12H,1-4H2"	C1CC2=CC3=CC4=C(C5=C(CC4)C=CC(=C5)Br)N=C3N=C2C6=C1C=CC(=C6)Br	WKYNXFNSJYKIGK-UHFFFAOYSA-N
DG58335	"6,20-Dibromo-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene"	395732	NSC700531; CHEMBL1973765; NSC-700531; NCI60_036142	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700531	.	.	.	.	441.2	C21H15Br2N	12.9	429	6.1	24	0	1	0	"InChI=1S/C21H15Br2N/c22-16-7-5-12-1-3-14-9-15-4-2-13-6-8-17(23)11-19(13)21(15)24-20(14)18(12)10-16/h5-11H,1-4H2"	C1CC2=CC3=C(C4=C(CC3)C=CC(=C4)Br)N=C2C5=C1C=CC(=C5)Br	IXYGKUPFKSIHOL-UHFFFAOYSA-N
DG58336	NSC700535	395735	"Dimethyl 5-[20-[3,5-bis(methoxycarbonyl)phenyl]-13-(4-methoxyphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaen-6-yl]benzene-1,3-dicarboxylate; NSC700535; CHEMBL2001390; NSC-700535; NCI60_036146"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700535	.	.	.	.	773.8	C48H39NO9	127	1320	9	58	0	10	12	"InChI=1S/C48H39NO9/c1-54-37-14-10-28(11-15-37)42-38-16-12-26-6-8-29(31-18-33(45(50)55-2)22-34(19-31)46(51)56-3)24-40(26)43(38)49-44-39(42)17-13-27-7-9-30(25-41(27)44)32-20-35(47(52)57-4)23-36(21-32)48(53)58-5/h6-11,14-15,18-25H,12-13,16-17H2,1-5H3"	COC1=CC=C(C=C1)C2=C3CCC4=C(C3=NC5=C2CCC6=C5C=C(C=C6)C7=CC(=CC(=C7)C(=O)OC)C(=O)OC)C=C(C=C4)C8=CC(=CC(=C8)C(=O)OC)C(=O)OC	IOHYHBPVNFRPLG-UHFFFAOYSA-N
DG58337	"3-[3,5-Bis[[3,5-bis[(4-bromophenyl)methoxy]phenyl]methoxy]phenyl]-3-oxopropanenitrile"	395736	NSC700536; CHEMBL1966488; NSC-700536; NCI60_036147	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700536	.	.	.	.	1097.5	C51H39Br4NO7	96.2	1220	13	63	0	8	20	"InChI=1S/C51H39Br4NO7/c52-41-9-1-34(2-10-41)28-58-45-19-38(20-46(25-45)59-29-35-3-11-42(53)12-4-35)32-62-49-23-40(51(57)17-18-56)24-50(27-49)63-33-39-21-47(60-30-36-5-13-43(54)14-6-36)26-48(22-39)61-31-37-7-15-44(55)16-8-37/h1-16,19-27H,17,28-33H2"	C1=CC(=CC=C1COC2=CC(=CC(=C2)COC3=CC(=CC(=C3)C(=O)CC#N)OCC4=CC(=CC(=C4)OCC5=CC=C(C=C5)Br)OCC6=CC=C(C=C6)Br)OCC7=CC=C(C=C7)Br)Br	DDGKOCLFASFZGQ-UHFFFAOYSA-N
DG58338	"2,2-dimethyl-N-[6-(1H-pyrrol-2-yl)pyridin-2-yl]propanamide"	395737	MLS002702454; NSC700537; CHEMBL1901713; NSC-700537; NCI60_036148; SMR001566015	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700537	.	.	.	.	243.3	C14H17N3O	57.8	298	2.2	18	2	2	3	"InChI=1S/C14H17N3O/c1-14(2,3)13(18)17-12-8-4-6-11(16-12)10-7-5-9-15-10/h4-9,15H,1-3H3,(H,16,17,18)"	CC(C)(C)C(=O)NC1=CC=CC(=N1)C2=CC=CN2	MJNDSVXRYGAGMG-UHFFFAOYSA-N
DG58339	"1H-Phenanthro[9, 4,11-dimethoxy-"	395745	"MLS002702455; NSC700545; CHEMBL1901645; 1H-Phenanthro[9, 4,11-dimethoxy-; NSC-700545; NCI60_036156; SMR001566016"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700545	.	.	.	.	278.3	C17H14N2O2	47.1	378	3.9	21	1	3	2	"InChI=1S/C17H14N2O2/c1-20-12-7-3-5-10-11-6-4-8-13(21-2)15(11)17-16(14(10)12)18-9-19-17/h3-9H,1-2H3,(H,18,19)"	COC1=CC=CC2=C3C=CC=C(C3=C4C(=C21)NC=N4)OC	YHVDSLJVICOSOM-UHFFFAOYSA-N
DG58340	"4,5-Bis(2'-methoxyphenyl)imidazole"	395746	"NSC700546; CHEMBL1980792; SCHEMBL10397598; 4,5-bis(2'-methoxyphenyl)imidazole; NSC-700546; NCI60_036157"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700546	.	.	.	.	280.32	C17H16N2O2	47.1	326	3.3	21	1	3	4	"InChI=1S/C17H16N2O2/c1-20-14-9-5-3-7-12(14)16-17(19-11-18-16)13-8-4-6-10-15(13)21-2/h3-11H,1-2H3,(H,18,19)"	COC1=CC=CC=C1C2=C(N=CN2)C3=CC=CC=C3OC	XOMXFUNHBRZWQE-UHFFFAOYSA-N
DG58341	"4-methoxy-3H-phenanthro[9,10-d]imidazole"	395747	NSC700547; CHEMBL1993868; NSC-700547; NCI60_036158	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700547	.	.	.	.	248.28	C16H12N2O	37.9	335	3.1	19	1	2	1	"InChI=1S/C16H12N2O/c1-19-13-8-4-7-11-10-5-2-3-6-12(10)15-16(14(11)13)18-9-17-15/h2-9H,1H3,(H,17,18)"	COC1=CC=CC2=C1C3=C(C4=CC=CC=C24)N=CN3	DIZVLGVGMAUZHV-UHFFFAOYSA-N
DG58342	"4-Quinolinone,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-"	395752	"NSC700552; CHEMBL1984145; NSC-700552; NCI60_036163; 4-Quinolinone,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700552	.	.	.	.	380.3	C16H14BrNO3S	62.8	522	3.2	22	0	4	2	"InChI=1S/C16H14BrNO3S/c1-11-2-5-13(6-3-11)22(20,21)18-9-8-16(19)14-10-12(17)4-7-15(14)18/h2-7,10H,8-9H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)C3=C2C=CC(=C3)Br	PGQCMPBSCIJTMB-UHFFFAOYSA-N
DG58343	Ptilomycalin A format salt	395755	"NSC700559; Ptilomycalin A format salt; CHEMBL1984312; NSC-700559; Dispiro[oxepin-2(3H),6,8b]triazaacenaphthylene-7'~ (5'H),2''-[2H]pyran]-8'-carboxylic acid, 7-ethyl-1',2',2'a,~ 3',3'',4,4'',5'',6'',7,8',8'a-docecahydro-6''-methyl-, 16-[(4- aminobutyl)(3-aminopropyl)amino]-16-oxohexadecyl ester, formate salt, (2'aS,4'S,6''R,7S,7'R,8'S,8'aR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700559	.	.	.	.	831.2	C46H82N6O7	184	1270	.	59	4	9	26	"InChI=1S/C45H80N6O5.CH2O2/c1-3-38-24-16-17-28-44(56-38)35-37-26-27-39-41(45(29-21-23-36(2)55-45)49-43(48-44)51(37)39)42(53)54-34-20-14-12-10-8-6-4-5-7-9-11-13-15-25-40(52)50(33-22-31-47)32-19-18-30-46;2-1-3/h16,24,36-39,41H,3-15,17-23,25-35,46-47H2,1-2H3,(H,48,49);1H,(H,2,3)/t36-,37+,38+,39-,41-,44+,45-;/m1./s1"	CC[C@H]1C=CCC[C@]2(O1)C[C@@H]3CC[C@H]4[N+]3=C(N2)N[C@]5([C@H]4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCCN)CCCN)CCC[C@H](O5)C.C(=O)[O-]	GZQCQIJREKFTGX-GYZMTDKTSA-N
DG58344	"3,5,12,14-Tetrabutyl-7,8,9,10-tetrathia-3,5,12,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(11),2(6)-diene-4,13-dithione"	395763	"NSC700582; NCIMech_000726; CHEMBL1966511; CCG-36112; NSC-700582; NCI60_036169; [1,3,4]tetrathiocino[5,6-d:7,8-d']diimidazole -2,9-dithione, 1,3,8,10-tetrabutyl-1,2,3,8,9,10-hexahydro-; 1,3,8,10-Tetrabutyl-1,3,8,10-tetrahydro-4,5,6,7-tetrathia-1,3,8,10-tetraazadicyclopenta[a,c]cyclooctene-2,9-dithione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700582	.	.	.	.	549	C22H36N4S6	178	691	6.4	32	0	6	12	"InChI=1S/C22H36N4S6/c1-5-9-13-23-17-18-20(26(16-12-8-4)22(28)24(18)14-10-6-2)30-32-31-29-19(17)25(21(23)27)15-11-7-3/h5-16H2,1-4H3"	CCCCN1C2=C(N(C1=S)CCCC)SSSSC3=C2N(C(=S)N3CCCC)CCCC	VHDXPGUSRCEYPD-UHFFFAOYSA-N
DG58345	"3,5,12,14-Tetrabutyl-7,10-dithia-8,9-diselena-3,5,12,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(11),2(6)-diene-4,13-dithione"	395764	"NSC700583; CHEMBL1981664; NSC-700583; NCI60_036170; [1,2,3]-Dithiaselenoca[5,6-d:7,8-d']diimidazole- 2,9-dithione, 1,3,8,10-tetrabutyl-1,2,3,8,9,10-hexahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700583	.	.	.	.	642.8	C22H36N4S4Se2	128	696	.	32	0	4	12	"InChI=1S/C22H36N4S4Se2/c1-5-9-13-23-17-18-20(26(16-12-8-4)22(28)24(18)14-10-6-2)30-32-31-29-19(17)25(21(23)27)15-11-7-3/h5-16H2,1-4H3"	CCCCN1C2=C(N(C1=S)CCCC)S[Se][Se]SC3=C2N(C(=S)N3CCCC)CCCC	RHAPOTFDYQZEFQ-UHFFFAOYSA-N
DG58346	"3,5,12,14-Tetrabutyl-7,10-dithia-8,9-diselena-3,5,12,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(11),2(6)-diene-4,13-diselone"	395765	"NSC700584; CHEMBL1992327; NSC-700584; NCI60_036171; [1,2,3]-Dithiaselenoca[5,6-d:7,8-d']diimidazole- 2,9-diselone, 1,3,8,10-tetrabutyl-1,2,3,8,9,10-hexahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700584	.	.	.	.	736.6	C22H36N4S2Se4	63.6	696	.	32	0	6	12	"InChI=1S/C22H36N4S2Se4/c1-5-9-13-23-17-18-20(26(16-12-8-4)22(30)24(18)14-10-6-2)28-32-31-27-19(17)25(21(23)29)15-11-7-3/h5-16H2,1-4H3"	CCCCN1C2=C(N(C1=[Se])CCCC)S[Se][Se]SC3=C2N(C(=[Se])N3CCCC)CCCC	DNFLZCXMDHRDQI-UHFFFAOYSA-N
DG58347	"1,3-Bis[5-[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carbonyl]-2-methylpyrazol-3-yl]urea"	395798	NSC700642; CHEMBL2004608; NSC-700642; NCI60_036174	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700642	.	.	.	.	797.6	C37H30Cl2N10O7	209	1430	5.5	56	2	9	6	"InChI=1S/C37H30Cl2N10O7/c1-44-31(11-25(42-44)35(50)46-17-19(15-38)33-23-9-5-3-7-21(23)27(48(53)54)13-29(33)46)40-37(52)41-32-12-26(43-45(32)2)36(51)47-18-20(16-39)34-24-10-6-4-8-22(24)28(49(55)56)14-30(34)47/h3-14,19-20H,15-18H2,1-2H3,(H2,40,41,52)"	CN1C(=CC(=N1)C(=O)N2CC(C3=C2C=C(C4=CC=CC=C43)[N+](=O)[O-])CCl)NC(=O)NC5=CC(=NN5C)C(=O)N6CC(C7=C6C=C(C8=CC=CC=C87)[N+](=O)[O-])CCl	QNMREJCPAUCHMX-UHFFFAOYSA-N
DG58348	"[[3-(Chloromethyl)-6-amino-2,3-dihydro-1H-indole]-1-yl][5-methoxy-7-[2-(dimethylamino)ethoxy]-1H-indole-2-yl] ketone"	395799	"NSC700643; CHEMBL346480; NSC-700643; NCI60_036175; [[3-(Chloromethyl)-6-amino-2,3-dihydro-1H-indole]-1-yl][5-methoxy-7-[2-(dimethylamino)ethoxy]-1H-indole-2-yl] ketone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700643	.	.	.	.	442.9	C23H27ClN4O3	83.8	624	3.1	31	2	5	7	"InChI=1S/C23H27ClN4O3/c1-27(2)6-7-31-21-11-17(30-3)8-14-9-19(26-22(14)21)23(29)28-13-15(12-24)18-5-4-16(25)10-20(18)28/h4-5,8-11,15,26H,6-7,12-13,25H2,1-3H3"	CN(C)CCOC1=C2C(=CC(=C1)OC)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)N)CCl	LNEMXPLUFRMJPR-UHFFFAOYSA-N
DG58349	"[[3-(Chloromethyl)-6-amino-2,3-dihydro-1H-indole]-1-yl][5-[2-(dimethylamino)ethoxy]-1H-indole-2-yl] ketone"	395800	"NSC700644; CHEMBL346522; NSC-700644; NCI60_036176; [[3-(Chloromethyl)-6-amino-2,3-dihydro-1H-indole]-1-yl][5-[2-(dimethylamino)ethoxy]-1H-indole-2-yl] ketone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700644	.	.	.	.	412.9	C22H25ClN4O2	74.6	577	3.1	29	2	4	6	"InChI=1S/C22H25ClN4O2/c1-26(2)7-8-29-17-4-6-19-14(9-17)10-20(25-19)22(28)27-13-15(12-23)18-5-3-16(24)11-21(18)27/h3-6,9-11,15,25H,7-8,12-13,24H2,1-2H3"	CN(C)CCOC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C=C4)N)CCl	YUGGIBNMRNWUKD-UHFFFAOYSA-N
DG58350	Trapoxin B	395803	"Trapoxin B; CHEMBL2000089; SCHEMBL18912063; BDBM50422364; NSC700657; RF-1023-B; NSC-700657; NCI60_036184; Cyclo(.alpha.S,2S)-.alpha.-amino-.eta.-oxooxiraneoctanoyl- L-phenylalanyl-L-phenylalanyl-D-prolyl]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700657	.	.	.	.	588.7	C33H40N4O6	137	1010	3.1	43	3	6	11	"InChI=1S/C33H40N4O6/c38-28(29-21-43-29)17-9-3-8-15-24-30(39)35-25(19-22-11-4-1-5-12-22)31(40)36-26(20-23-13-6-2-7-14-23)33(42)37-18-10-16-27(37)32(41)34-24/h1-2,4-7,11-14,24-27,29H,3,8-10,15-21H2,(H,34,41)(H,35,39)(H,36,40)/t24-,25-,26-,27+,29-/m0/s1"	C1C[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2C1)CC3=CC=CC=C3)CC4=CC=CC=C4)CCCCCC(=O)[C@@H]5CO5	LLOKIGWPNVSDGJ-AFBVCZJXSA-N
DG58351	"2,3-Dimethoxy-7,12-dihydro-9-bromoindolo[3,2-d][1]benzazepine-6(5H)-one"	395805	"CHEMBL319373; NSC700693; Paullone Analog 12; 9-bromo-2,3-dimethoxypaullone; BDBM7273; SCHEMBL5688076; NSC 700693; NSC-700693; NCI60_036186; Indolo[3, 9-bromo-7,12-dihydro-2,3-dimethoxy-; 2,3-Dimethoxy-7,12-dihydro-9-bromoindolo[3,2-d][1]benzazepine-6(5H)-one; 14-bromo-4,5-dimethoxy-8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700693	.	.	.	.	387.2	C18H15BrN2O3	63.4	491	3.2	24	2	3	2	"InChI=1S/C18H15BrN2O3/c1-23-15-6-12-14(8-16(15)24-2)20-17(22)7-11-10-5-9(19)3-4-13(10)21-18(11)12/h3-6,8,21H,7H2,1-2H3,(H,20,22)"	COC1=C(C=C2C(=C1)C3=C(CC(=O)N2)C4=C(N3)C=CC(=C4)Br)OC	DUZUWJBAONJCTE-UHFFFAOYSA-N
DG58352	"6-methoxy-1H-pyrazolo[3,4-b]quinoxalin-3-amine"	395806	"NSC700694; BDBM7538; CHEMBL125523; pyrazolo[3,4-b]quinoxaline deriv. 5; NSC-700694; NCI60_036187; 3-Amino-6-methoxy-1H-pyrazolo[3,4-b]quinoxaline; 6-methoxy-1H-pyrazolo[3,4-b]quinoxalin-3-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700694	.	.	.	.	215.21	C10H9N5O	89.7	264	0.9	16	2	5	1	"InChI=1S/C10H9N5O/c1-16-5-2-3-6-7(4-5)12-8-9(11)14-15-10(8)13-6/h2-4H,1H3,(H3,11,13,14,15)"	COC1=CC2=NC3=C(NN=C3N=C2C=C1)N	PBXOZHMFOVJSOM-UHFFFAOYSA-N
DG58353	bis(4-{[(1E)-(2-hydroxyphenyl)methylene]amino}phenyl)methanone	395813	NSC700701; CHEMBL1995151; ZINC1862255; MCULE-6272007633; NSC-700701; NCI60_036194; bis(4-{[(1E)-(2-hydroxyphenyl)methylene]amino}phenyl)methanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700701	.	.	.	.	420.5	C27H20N2O3	82.2	593	5.4	32	2	5	6	"InChI=1S/C27H20N2O3/c30-25-7-3-1-5-21(25)17-28-23-13-9-19(10-14-23)27(32)20-11-15-24(16-12-20)29-18-22-6-2-4-8-26(22)31/h1-18,30-31H"	C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)N=CC4=CC=CC=C4O)O	FORBLOQNRWCGFE-UHFFFAOYSA-N
DG58354	4-[({[(Diethylamino)carbonothioyl]thio}amino)methyl]benzenesulfonamide	395823	NSC700715; CHEMBL489791; NSC-700715; NCI60_036205; 4-[({[(diethylamino)carbonothioyl]thio}amino)methyl]benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700715	.	.	.	.	333.5	C12H19N3O2S3	141	397	1.4	20	2	6	7	"InChI=1S/C12H19N3O2S3/c1-3-15(4-2)12(18)19-14-9-10-5-7-11(8-6-10)20(13,16)17/h5-8,14H,3-4,9H2,1-2H3,(H2,13,16,17)"	CCN(CC)C(=S)SNCC1=CC=C(C=C1)S(=O)(=O)N	WKAREKARIQSGHN-UHFFFAOYSA-N
DG58355	"5-(3-Tosylureido)-1,3,4-thiadiazole-2-sulfonamide"	395826	"CHEMBL109151; NSC700718; ZINC6003006; BDBM50108577; AKOS024358877; MCULE-9054640094; NSC-700718; NCI60_036208; 5-(3-Tosylureido)-1,3,4-thiadiazole-2-sulfonamide; 5-(3-(4-methyl-sulfonylbenzene)-ureido)-[1,3,4]thiadiazole-2-sulfonic acid amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700718	.	.	.	.	377.4	C10H11N5O5S3	206	633	1.6	23	3	9	4	"InChI=1S/C10H11N5O5S3/c1-6-2-4-7(5-3-6)23(19,20)15-8(16)12-9-13-14-10(21-9)22(11,17)18/h2-5H,1H3,(H2,11,17,18)(H2,12,13,15,16)"	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NN=C(S2)S(=O)(=O)N	MVJGBJOMTDVGRA-UHFFFAOYSA-N
DG58356	N-[N-[(4-Methylphenylsulfonyl)carbamoyl]glycyl]glycine	395830	NSC700722; CHEMBL2004895; NSC-700722; NCI60_036212; N-[N-[(4-Methylphenylsulfonyl)carbamoyl]glycyl]glycine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700722	.	.	.	.	329.33	C12H15N3O6S	150	520	-0.1	22	4	6	6	"InChI=1S/C12H15N3O6S/c1-8-2-4-9(5-3-8)22(20,21)15-12(19)14-6-10(16)13-7-11(17)18/h2-5H,6-7H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19)"	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC(=O)NCC(=O)O	HJIMURZMWUDSJM-UHFFFAOYSA-N
DG58357	"6,7-Dichloro-8-hydroxy-5-quinolinesulfonic acid"	395841	"NSC700844; CHEMBL1969095; NSC-700844; NCI60_036223; 6,7-dichloro-8-quinolinol-5-sulfonic acid; 6,7-Dichloro-8-hydroxy-5-quinolinesulfonic acid; 6,7-dichloro-8-hydroxy-quinoline-5-sulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700844	.	.	.	.	294.11	C9H5Cl2NO4S	95.9	385	1.8	17	2	5	1	"InChI=1S/C9H5Cl2NO4S/c10-5-6(11)9(17(14,15)16)4-2-1-3-12-7(4)8(5)13/h1-3,13H,(H,14,15,16)"	C1=CC2=C(C(=C(C(=C2S(=O)(=O)O)Cl)Cl)O)N=C1	WVHUFCQKUTVQNX-UHFFFAOYSA-N
DG58358	"Ethyl 2-methyl-1-thioxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate"	395847	"NSC700850; CHEMBL1983144; NSC-700850; Ethyl 2-methyl-1-thioxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate; NCI60_036229; ethyl 2-methyl-1-thioxo-pyrimido[1,6-a]benzimidazole-4-carboxylate; 1-Thioxo-2-methyl-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700850	.	.	.	.	287.34	C14H13N3O2S	79.4	465	2	20	0	4	3	"InChI=1S/C14H13N3O2S/c1-3-19-13(18)9-8-16(2)14(20)17-11-7-5-4-6-10(11)15-12(9)17/h4-8H,3H2,1-2H3"	CCOC(=O)C1=CN(C(=S)N2C1=NC3=CC=CC=C32)C	DOIOJXMAZVGICV-UHFFFAOYSA-N
DG58359	"Ethyl 2-ethyl-1-oxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate"	395848	"NSC700851; CHEMBL1985899; Ethyl 2-ethyl-1-oxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate; NSC-700851; NCI60_036230; ethyl 2-ethyl-1-oxo-pyrimido[1,6-a]benzimidazole-4-carboxylate; 1-Oxo-2-ethyl-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700851	.	.	.	.	285.3	C15H15N3O3	64.4	477	1.8	21	0	4	4	"InChI=1S/C15H15N3O3/c1-3-17-9-10(14(19)21-4-2)13-16-11-7-5-6-8-12(11)18(13)15(17)20/h5-9H,3-4H2,1-2H3"	CCN1C=C(C2=NC3=CC=CC=C3N2C1=O)C(=O)OCC	OLRRPAZFIHMFEI-UHFFFAOYSA-N
DG58360	"Ethyl 2-phenyl-1-thioxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate"	395850	"NSC700853; CHEMBL1979560; NSC-700853; Ethyl 2-phenyl-1-thioxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate; NCI60_036232; ethyl 2-phenyl-1-thioxo-pyrimido[1,6-a]benzimidazole-4-carboxylate; 1-Thioxo-2-phenyl-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700853	.	.	.	.	349.4	C19H15N3O2S	79.4	573	3.6	25	0	4	4	"InChI=1S/C19H15N3O2S/c1-2-24-18(23)14-12-21(13-8-4-3-5-9-13)19(25)22-16-11-7-6-10-15(16)20-17(14)22/h3-12H,2H2,1H3"	CCOC(=O)C1=CN(C(=S)N2C1=NC3=CC=CC=C32)C4=CC=CC=C4	DUGHEVHYXNELJE-UHFFFAOYSA-N
DG58361	"Ethyl 2-(4-nitrophenyl)-1-thioxo-pyrimido[1,6-a]benzimidazole-4-carboxylate"	395851	"NSC700854; CHEMBL1966198; NSC-700854; NCI60_036233; ethyl 2-(4-nitrophenyl)-1-thioxo-pyrimido[1,6-a]benzimidazole-4-carboxylate; 1-Thioxo-2-(4-nitrophenyl)-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylic acid ethyl ester; Ethyl 2-(4-(hydroxy(oxido)amino)phenyl)-1-thioxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700854	.	.	.	.	394.4	C19H14N4O4S	125	686	3.4	28	0	6	4	"InChI=1S/C19H14N4O4S/c1-2-27-18(24)14-11-21(12-7-9-13(10-8-12)23(25)26)19(28)22-16-6-4-3-5-15(16)20-17(14)22/h3-11H,2H2,1H3"	CCOC(=O)C1=CN(C(=S)N2C1=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]	VSKJSKQPIVUALL-UHFFFAOYSA-N
DG58362	"1,3-Dichloro-cyclopenta(c) thiophene-4-one"	395859	"NSC700861; SCHEMBL9866031; CHEMBL1965014; NSC-700861; NCI60_036240; 1,3-dichloro-cyclopenta(c) thiophene-4-one; 4H-Cyclopenta[c]thiophen-4-one,3-dichloro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700861	.	.	.	.	205.06	C7H2Cl2OS	45.3	229	3.5	11	0	2	0	InChI=1S/C7H2Cl2OS/c8-6-3-1-2-4(10)5(3)7(9)11-6/h1-2H	C1=CC(=O)C2=C(SC(=C21)Cl)Cl	OYCVLEGAUGFXEI-UHFFFAOYSA-N
DG58363	"1,3-Dichloro-6-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-one"	395860	"NSC700862; CHEMBL1972880; 1,3-dichloro-6-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-one; 1,3-Dichloro-6-hydroxy-5,6-dihydro-4H-cyclopenta[c]thiophen-4-one; NSC-700862; NCI60_036241; 4H-Cyclopenta[c]thiophen-4-one,3-dichloro- 5,6-dihydro-6-hydroxy-; 1,3-Dichloro-6-hydroxy-5,6-dihydro-4H-cyclopenta[c]thiophene-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700862	.	.	.	.	223.08	C7H4Cl2O2S	65.5	224	2.2	12	1	3	0	"InChI=1S/C7H4Cl2O2S/c8-6-4-2(10)1-3(11)5(4)7(9)12-6/h2,10H,1H2"	C1C(C2=C(SC(=C2C1=O)Cl)Cl)O	IPLHVUWWQLHYTD-UHFFFAOYSA-N
DG58364	N-[5-(Propylcarbamoyl)-1-methyl-1H-pyrrole-3-yl]-4-[[3-(methoxysulfonyl)propionyl]amino]-1-methyl-1H-pyrrole-2-carboxamide	395869	NSC700906; CHEMBL1997594; NSC-700906; NCI60_036249; [1-Methyl-4-[1-methyl-4-(3-methoxysulfonyl)propanamido]pyrole-2-carboxamido]propane; methyl 3-(1-methyl-5-(1-methyl-5-(propylcarbamoyl)-1h-pyrrol-3-ylcarbamoyl)-1h-pyrrol-3-ylamino)-3-oxopropane-1-sulfonate; N-[5-(Propylcarbamoyl)-1-methyl-1H-pyrrole-3-yl]-4-[[3-(methoxysulfonyl)propionyl]amino]-1-methyl-1H-pyrrole-2-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700906	.	.	.	.	453.5	C19H27N5O6S	149	755	-0.4	31	3	6	10	"InChI=1S/C19H27N5O6S/c1-5-7-20-18(26)15-10-14(12-23(15)2)22-19(27)16-9-13(11-24(16)3)21-17(25)6-8-31(28,29)30-4/h9-12H,5-8H2,1-4H3,(H,20,26)(H,21,25)(H,22,27)"	CCCNC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)CCS(=O)(=O)OC	FNOTXVZCRJUJHO-UHFFFAOYSA-N
DG58365	"5,6-Dihydro-1,2,3,9-tetramethoxy-7H-dibenzo[a,c]cycloheptene-7-one"	395870	"NSC700911; CHEMBL1171848; SCHEMBL17304636; NSC-700911; NCI60_036250; 5,6-Dihydro-1,2,3,9-tetramethoxy-7H-dibenzo[a,c]cycloheptene-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700911	.	.	.	.	328.4	C19H20O5	54	440	3.2	24	0	5	4	"InChI=1S/C19H20O5/c1-21-12-6-7-13-14(10-12)15(20)8-5-11-9-16(22-2)18(23-3)19(24-4)17(11)13/h6-7,9-10H,5,8H2,1-4H3"	COC1=CC2=C(C=C1)C3=C(C(=C(C=C3CCC2=O)OC)OC)OC	LCUPINWVEJYXRG-UHFFFAOYSA-N
DG58366	NSC700913	395872	"N-[(22S)-13-methoxy-18-methylsulfanyl-19-oxo-4,11-diazapentacyclo[12.10.0.03,12.05,10.015,21]tetracosa-1,3,5,7,9,11,13,15,17,20-decaen-22-yl]acetamide; NSC700913; CHEMBL2006691; NSC-700913; NCI60_036252"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700913	.	.	.	.	457.5	C26H23N3O3S	107	897	2.5	33	1	6	3	"InChI=1S/C26H23N3O3S/c1-14(30)27-18-10-8-15-12-21-25(29-20-7-5-4-6-19(20)28-21)26(32-2)24(15)16-9-11-23(33-3)22(31)13-17(16)18/h4-7,9,11-13,18H,8,10H2,1-3H3,(H,27,30)/t18-/m0/s1"	CC(=O)N[C@H]1CCC2=CC3=NC4=CC=CC=C4N=C3C(=C2C5=CC=C(C(=O)C=C15)SC)OC	ISDVTNLHLWJWPY-SFHVURJKSA-N
DG58367	NSC700914	395873	"N-[(17S)-12-methoxy-21-methylsulfanyl-20-oxo-3,10-diazapentacyclo[12.10.0.02,11.04,9.018,24]tetracosa-1(14),2,4,6,8,10,12,18,21,23-decaen-17-yl]acetamide; NSC700914; CHEMBL1977192; NSC-700914; NCI60_036253"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700914	.	.	.	.	457.5	C26H23N3O3S	107	897	3.3	33	1	6	3	"InChI=1S/C26H23N3O3S/c1-14(30)27-18-10-8-15-12-22(32-2)25-26(29-20-7-5-4-6-19(20)28-25)24(15)16-9-11-23(33-3)21(31)13-17(16)18/h4-7,9,11-13,18H,8,10H2,1-3H3,(H,27,30)/t18-/m0/s1"	CC(=O)N[C@H]1CCC2=C(C3=CC=C(C(=O)C=C13)SC)C4=NC5=CC=CC=C5N=C4C(=C2)OC	CADONKLZQMNOGF-SFHVURJKSA-N
DG58368	NSC700915	395874	"4-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide; NSC700915; CHEMBL1980325; NSC-700915; NCI60_036254"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700915	.	.	.	.	874.9	C48H46N2O12S	195	1770	6.4	63	3	14	11	"InChI=1S/C48H46N2O12S/c1-55-36-16-25(17-37(56-2)44(36)52)40-29-19-34-35(62-22-61-34)20-30(29)43(31-21-60-48(54)42(31)40)49-26-10-7-23(8-11-26)47(53)50-32-13-9-24-15-38(57-3)45(58-4)46(59-5)41(24)27-12-14-39(63-6)33(51)18-28(27)32/h7-8,10-12,14-20,31-32,40,42-43,49,52H,9,13,21-22H2,1-6H3,(H,50,53)/t31-,32-,40+,42-,43+/m0/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)C(=O)N[C@H]7CCC8=CC(=C(C(=C8C9=CC=C(C(=O)C=C79)SC)OC)OC)OC	MCVWSXSVUPWWQV-QNODNKGLSA-N
DG58369	"Trimethyl 2,5-dimethyl-1,3-oxazole-4,4,5(5H)-tricarboxylate"	395875	"NSC700970; CHEMBL1982789; Trimethyl 2,5-dimethyl-1,3-oxazole-4,4,5(5H)-tricarboxylate; NSC-700970; NCI60_036255; trimethyl 2,5-dimethyloxazole-4,4,5-tricarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700970	.	.	.	.	273.24	C11H15NO7	101	440	0	19	0	8	6	"InChI=1S/C11H15NO7/c1-6-12-11(8(14)17-4,9(15)18-5)10(2,19-6)7(13)16-3/h1-5H3"	CC1=NC(C(O1)(C)C(=O)OC)(C(=O)OC)C(=O)OC	MMBALTKZDLDBRP-UHFFFAOYSA-N
DG58370	"5,5-Diethyl 4,4-dimethyl 2-methyl-1,3-oxazole-4,4,5,5-tetracarboxylate"	395876	"NSC700971; CHEMBL1988549; 5,5-Diethyl 4,4-dimethyl 2-methyl-1,3-oxazole-4,4,5,5-tetracarboxylate; NSC-700971; NCI60_036256; O5,O5'-diethyl O4,O4'-dimethyl 2-methyloxazole-4,4,5,5-tetracarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700971	.	.	.	.	345.3	C14H19NO9	127	547	0.4	24	0	10	10	"InChI=1S/C14H19NO9/c1-6-22-11(18)14(12(19)23-7-2)13(9(16)20-4,10(17)21-5)15-8(3)24-14/h6-7H2,1-5H3"	CCOC(=O)C1(C(N=C(O1)C)(C(=O)OC)C(=O)OC)C(=O)OCC	JJRYEOLFDTXBRR-UHFFFAOYSA-N
DG58371	"Ethyl 1-(2,6-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole-6-carboxylate"	395890	NSC700985; CHEMBL1966768; NSC-700985; NCI60_036270	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700985	.	.	.	.	360.4	C18H14F2N2O2S	69.4	502	3.8	25	0	6	4	"InChI=1S/C18H14F2N2O2S/c1-2-24-18(23)10-6-7-14-13(8-10)21-15-9-25-17(22(14)15)16-11(19)4-3-5-12(16)20/h3-8,17H,2,9H2,1H3"	CCOC(=O)C1=CC2=C(C=C1)N3C(SCC3=N2)C4=C(C=CC=C4F)F	NBHGQRPGXCMAGM-UHFFFAOYSA-N
DG58372	"1-(2,6-dichlorophenyl)-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline"	395894	NSC700989; CHEMBL1988305; NSC-700989; NCI60_036274	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700989	.	.	.	.	335.2	C16H12Cl2N2S	40.9	421	4.3	21	0	2	1	"InChI=1S/C16H12Cl2N2S/c17-11-5-3-6-12(18)15(11)16-20-8-10-4-1-2-7-13(10)19-14(20)9-21-16/h1-7,16H,8-9H2"	C1C2=CC=CC=C2N=C3N1C(SC3)C4=C(C=CC=C4Cl)Cl	QSCYDJMUSNZHNV-UHFFFAOYSA-N
DG58373	"1-phenyl-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline"	395898	NSC700993; CHEMBL1979214; NSC-700993; NCI60_036278	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700993	.	.	.	.	266.4	C16H14N2S	40.9	362	3	19	0	2	1	"InChI=1S/C16H14N2S/c1-2-6-12(7-3-1)16-18-10-13-8-4-5-9-14(13)17-15(18)11-19-16/h1-9,16H,10-11H2"	C1C2=CC=CC=C2N=C3N1C(SC3)C4=CC=CC=C4	UIJBIPJELNWLPG-UHFFFAOYSA-N
DG58374	"1-(2,6-Difluorophenyl)-7-benzoyl-3H-thiazolo[3,4-a]benzimidazole"	395907	"NSC701002; CHEMBL1972407; NSC-701002; NCI60_036287; 1-(2,6-Difluorophenyl)-7-benzoyl-3H-thiazolo[3,4-a]benzimidazole; 7-Benzoyl-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole; [1-(2,6-difluorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazol-7-yl]-phenyl-methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701002	.	.	.	.	392.4	C22H14F2N2OS	60.2	577	5	28	0	5	3	"InChI=1S/C22H14F2N2OS/c23-15-7-4-8-16(24)20(15)22-26-18-11-14(21(27)13-5-2-1-3-6-13)9-10-17(18)25-19(26)12-28-22/h1-11,22H,12H2"	C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=C(C=C3)C(=O)C5=CC=CC=C5	XJUKFRBRABNBTR-UHFFFAOYSA-N
DG58375	"1-(2,6-Dichlorophenyl)-7-benzoyl-3H-thiazolo[3,4-a]benzimidazole"	395909	"NSC701004; CHEMBL1966243; NSC-701004; NCI60_036289; 1-(2,6-Dichlorophenyl)-7-benzoyl-3H-thiazolo[3,4-a]benzimidazole; 7-Benzoyl-1-(2,6-difchlorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole; [1-(2,6-dichlorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazol-7-yl]-phenyl-methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701004	.	.	.	.	425.3	C22H14Cl2N2OS	60.2	577	6	28	0	3	3	"InChI=1S/C22H14Cl2N2OS/c23-15-7-4-8-16(24)20(15)22-26-18-11-14(21(27)13-5-2-1-3-6-13)9-10-17(18)25-19(26)12-28-22/h1-11,22H,12H2"	C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)Cl)C=C(C=C3)C(=O)C5=CC=CC=C5	VYPGAZQJNTXJSS-UHFFFAOYSA-N
DG58376	"1-(2,6-Dichlorophenyl)-7-fluoro-3H-thiazolo[3,4-a]benzimidazole"	395913	"NSC701008; CHEMBL1978662; NSC-701008; NCI60_036293; 1-(2,6-Dichlorophenyl)-7-fluoro-3H-thiazolo[3,4-a]benzimidazole; 1-(2,6-dichlorophenyl)-7-fluoro-1,3-dihydrothiazolo[3,4-a]benzimidazole; 1-(2,6-Dichlorophenyl)-7-fluoro-1H,3H-thiazolo[3,4-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701008	.	.	.	.	339.2	C15H9Cl2FN2S	43.1	392	4.8	21	0	3	1	"InChI=1S/C15H9Cl2FN2S/c16-9-2-1-3-10(17)14(9)15-20-12-6-8(18)4-5-11(12)19-13(20)7-21-15/h1-6,15H,7H2"	C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)Cl)C=C(C=C3)F	BBAZKTBJJLEVBN-UHFFFAOYSA-N
DG58377	4-Aminocinnoline-3-carbonitrile	395917	4-aminocinnoline-3-carbonitrile; 63924-09-4; NSC701012; 4-amino-3-cyanocinnoline; CHEMBL1973184; SCHEMBL20301264; ZINC13219353; AKOS013756865; AT30781; MCULE-1015301155; NSC-701012; NCI60_036297; CS-0262473; EN300-82747; Z1250080892	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701012	.	.	.	.	170.17	C9H6N4	75.6	231	1.1	13	1	4	0	"InChI=1S/C9H6N4/c10-5-8-9(11)6-3-1-2-4-7(6)12-13-8/h1-4H,(H2,11,12)"	C1=CC=C2C(=C1)C(=C(N=N2)C#N)N	KHULBBOZCOBYHE-UHFFFAOYSA-N
DG58378	(4-Aminocinnolin-3-yl)-phenyl-methanone	395918	NSC701013; (4-aminocinnolin-3-yl)-phenyl-methanone; CHEMBL1997572; NSC-701013; NCI60_036298	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701013	.	.	.	.	249.27	C15H11N3O	68.9	327	2.7	19	1	4	2	"InChI=1S/C15H11N3O/c16-13-11-8-4-5-9-12(11)17-18-14(13)15(19)10-6-2-1-3-7-10/h1-9H,(H2,16,17)"	C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3N=N2)N	LXBJYSXWAMBHKG-UHFFFAOYSA-N
DG58379	"2-Amino-6-(2-aminophenylthio)-4-phenyl-3,5-pyridinedicarbonitrile"	395919	"NSC701014; CHEMBL1997683; NSC-701014; NCI60_036299; 2-Amino-6-(2-aminophenylthio)-4-phenyl-3,5-pyridinedicarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701014	.	.	.	.	343.4	C19H13N5S	138	543	3.8	25	2	6	3	"InChI=1S/C19H13N5S/c20-10-13-17(12-6-2-1-3-7-12)14(11-21)19(24-18(13)23)25-16-9-5-4-8-15(16)22/h1-9H,22H2,(H2,23,24)"	C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=CC=CC=C3N)N)C#N	GHTCFJKWXZRLDK-UHFFFAOYSA-N
DG58380	"3,6-diamino-4-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile"	395921	"CHEMBL564921; NSC701016; DNDI1417002; BDBM50297039; NSC-701016; NCI60_036301; 3,6-diamino-4-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile; 4-Phenyl-3,6-diamino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701016	.	.	.	.	250.26	C13H10N6	117	371	2	19	3	5	1	"InChI=1S/C13H10N6/c14-6-8-9(7-4-2-1-3-5-7)10-12(16)18-19-13(10)17-11(8)15/h1-5H,(H5,15,16,17,18,19)"	C1=CC=C(C=C1)C2=C(C(=NC3=NNC(=C23)N)N)C#N	CLVVBNMTYMKNAP-UHFFFAOYSA-N
DG58381	"3,6-diamino-4-(4-chlorophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile"	395922	"NSC701017; CHEMBL2003429; STK335726; AKOS005441054; MCULE-8128337667; NSC-701017; NCI60_036302; 3,6-diamino-4-(4-chlorophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701017	.	.	.	.	284.7	C13H9ClN6	117	401	2.6	20	3	5	1	"InChI=1S/C13H9ClN6/c14-7-3-1-6(2-4-7)9-8(5-15)11(16)18-13-10(9)12(17)19-20-13/h1-4H,(H5,16,17,18,19,20)"	C1=CC(=CC=C1C2=C(C(=NC3=NNC(=C23)N)N)C#N)Cl	RQOIAOXTYPDSPP-UHFFFAOYSA-N
DG58382	"2-Amino-4-(4-methoxyphenyl)-6-(2-aminophenylthio)pyridine-3,5-dicarbonitrile"	395923	"NSC701018; CHEMBL1969568; NSC-701018; NCI60_036303; 2-Amino-4-(4-methoxyphenyl)-6-(2-aminophenylthio)pyridine-3,5-dicarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701018	.	.	.	.	373.4	C20H15N5OS	147	590	3.8	27	2	7	4	"InChI=1S/C20H15N5OS/c1-26-13-8-6-12(7-9-13)18-14(10-21)19(24)25-20(15(18)11-22)27-17-5-3-2-4-16(17)23/h2-9H,23H2,1H3,(H2,24,25)"	COC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=CC=CC=C3N)N)C#N	JGWIFBXETKVSCO-UHFFFAOYSA-N
DG58383	"11-Amino-4,6-dimethyl-13-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-12-carbonitrile"	395924	NSC701019; CHEMBL1986822; NSC-701019; NCI60_036304	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701019	.	.	.	.	314.3	C18H14N6	92.9	509	3.3	24	1	5	1	"InChI=1S/C18H14N6/c1-10-8-11(2)24-18(21-10)15-14(12-6-4-3-5-7-12)13(9-19)16(20)22-17(15)23-24/h3-8H,1-2H3,(H2,20,22,23)"	CC1=CC(=NC2=C3C(=C(C(=NC3=NN12)N)C#N)C4=CC=CC=C4)C	BZNFMOUDQBIYFN-UHFFFAOYSA-N
DG58384	"Aceanthryleno[1, 12-nitro-"	395928	"NSC701023; Aceanthryleno[1, 12-nitro-; CHEMBL1966696; NSC-701023; NCI60_036308"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701023	.	.	.	.	349.3	C22H11N3O2	71.6	607	4.9	27	0	4	0	InChI=1S/C22H11N3O2/c26-25(27)14-8-9-17-18(11-14)24-22-20-15-6-2-1-4-12(15)10-13-5-3-7-16(19(13)20)21(22)23-17/h1-11H	C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C5=NC6=C(C=CC(=C6)[N+](=O)[O-])N=C45	VYGXGLDGKWWWNU-UHFFFAOYSA-N
DG58385	NSC701024	395929	"3,18-Diazaoctacyclo[18.11.1.02,19.04,17.05,14.07,12.024,32.026,31]dotriaconta-1(32),2,4(17),5(14),7,9,11,15,18,20,22,24,26,28,30-pentadecaene-6,13-dione; NSC701024; CHEMBL1986508; NSC-701024; NCI60_036309"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701024	.	.	.	.	434.4	C30H14N2O2	59.9	872	6.1	34	0	4	0	InChI=1S/C30H14N2O2/c33-29-18-9-3-4-10-19(18)30(34)25-21(29)12-13-22-27(25)32-28-24-17-8-2-1-6-15(17)14-16-7-5-11-20(23(16)24)26(28)31-22/h1-14H	C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C5=NC6=C(C=CC7=C6C(=O)C8=CC=CC=C8C7=O)N=C45	OFLTUWFBLHCGDV-UHFFFAOYSA-N
DG58386	"Propanedinitrile, (10-hydrazono-9(10H)-anthracenylidene)-"	395930	"NSC701025; CHEMBL1968417; DTXSID90327910; Propanedinitrile, (10-hydrazono-9(10H)-anthracenylidene)-; NSC-701025; 10-dicyanomethylene-9-anthrone hydrazone; 156755-16-7; NCI60_036310; 10-(Dicyanomethylene)anthracene-9(10H)-onehydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701025	.	.	.	.	270.29	C17H10N4	86	536	2.7	21	1	4	0	"InChI=1S/C17H10N4/c18-9-11(10-19)16-12-5-1-3-7-14(12)17(21-20)15-8-4-2-6-13(15)16/h1-8H,20H2"	C1=CC=C2C(=C1)C(=C(C#N)C#N)C3=CC=CC=C3C2=NN	LDQYWCSUCBIOQT-UHFFFAOYSA-N
DG58387	"(4-Aminocinnolin-3-yl)(2,4,6-trimethylphenyl)methanone"	395936	"NSC701031; CHEMBL2004317; ZINC04633728; NSC-701031; NCI60_036316; (4-aminocinnolin-3-yl)(2,4,6-trimethylphenyl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701031	.	.	.	.	291.3	C18H17N3O	68.9	401	3.8	22	1	4	2	"InChI=1S/C18H17N3O/c1-10-8-11(2)15(12(3)9-10)18(22)17-16(19)13-6-4-5-7-14(13)20-21-17/h4-9H,1-3H3,(H2,19,20)"	CC1=CC(=C(C(=C1)C)C(=O)C2=C(C3=CC=CC=C3N=N2)N)C	GHAIJBAYMRDUQP-UHFFFAOYSA-N
DG58388	"2H-1-Benzopyran-3-carboxamide, 7-(diethylamino)-2-imino-"	395945	"2H-1-Benzopyran-3-carboxamide, 7-(diethylamino)-2-imino-; 79604-93-6; 7-(diethylamino)-2-imino-2H-chromene-3-carboxamide; 7-(diethylamino)-2-iminochromene-3-carboxamide; NSC701069; Oprea1_826550; CBDivE_005484; MLS001018573; IFLab1_000486; CHEMBL1334319; DTXSID70327913; HMS1413G02; HMS2659L06; ZINC4058740; HTS028468; AKOS001035392; MCULE-3113385816; NSC-701069; IDI1_008705; NCI60_036319; SMR000354839; SR-01000004974; SR-01000004974-1; 7-(Diethylamino)-2-imino-2H-1-benzopyran-3-carboxamide; F0150-0015"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701069	.	.	.	.	259.3	C14H17N3O2	79.4	402	1.9	19	2	4	4	"InChI=1S/C14H17N3O2/c1-3-17(4-2)10-6-5-9-7-11(13(15)18)14(16)19-12(9)8-10/h5-8,16H,3-4H2,1-2H3,(H2,15,18)"	CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)N	MOIMPUQANPQHJY-UHFFFAOYSA-N
DG58389	2-imino-N-phenyl-8-prop-2-enylchromene-3-carboxamide	395951	NSC701075; CHEMBL1996528; NSC-701075; NCI60_036325	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701075	.	.	.	.	304.3	C19H16N2O2	62.2	506	4.1	23	2	3	4	"InChI=1S/C19H16N2O2/c1-2-7-13-8-6-9-14-12-16(18(20)23-17(13)14)19(22)21-15-10-4-3-5-11-15/h2-6,8-12,20H,1,7H2,(H,21,22)"	C=CCC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NC3=CC=CC=C3	JQUZBAPUSSVZJA-UHFFFAOYSA-N
DG58390	N-cyclohexyl-2-imino-8-prop-2-enylchromene-3-carboxamide	395965	NSC701089; CHEMBL1972853; NSC-701089; NCI60_036339	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701089	.	.	.	.	310.4	C19H22N2O2	62.2	506	4.4	23	2	3	4	"InChI=1S/C19H22N2O2/c1-2-7-13-8-6-9-14-12-16(18(20)23-17(13)14)19(22)21-15-10-4-3-5-11-15/h2,6,8-9,12,15,20H,1,3-5,7,10-11H2,(H,21,22)"	C=CCC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NC3CCCCC3	PVVQIQVGNMZIGK-UHFFFAOYSA-N
DG58391	(2Z)-2-[(4-methoxyphenyl)imino]-2H-chromene-3-carboxamide	395973	(2Z)-2-[(4-methoxyphenyl)imino]-2H-chromene-3-carboxamide; 910218-58-5; (Z)-2-((4-methoxyphenyl)imino)-2H-chromene-3-carboxamide; NSC701097; 2-(4-methoxyphenyl)iminochromene-3-carboxamide; Oprea1_132090; Oprea1_820978; IFLab1_004437; CHEMBL1989343; HMS1424J15; STK353660; AKOS001485454; AKOS034472171; ZINC100087297; MCULE-7870478657; NSC-701097; IDI1_010192; NCI60_036347; AB00126796-02; SR-01000408115; SR-01000408115-1; 2-[(4-methoxyphenyl)imino]-2H-chromene-3-carboxamide; Z57060866; F1018-0693; 312633-77-5	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701097	.	.	.	.	294.3	C17H14N2O3	73.9	478	2.8	22	1	4	3	"InChI=1S/C17H14N2O3/c1-21-13-8-6-12(7-9-13)19-17-14(16(18)20)10-11-4-2-3-5-15(11)22-17/h2-10H,1H3,(H2,18,20)"	COC1=CC=C(C=C1)N=C2C(=CC3=CC=CC=C3O2)C(=O)N	HNLCSIFQKRXZRU-UHFFFAOYSA-N
DG58392	"6-Chloro-3-imidazo[1,2-a]pyridin-2-yl-2h-chromen-2-one"	395976	"NSC701100; Oprea1_007148; IFLab1_000447; SCHEMBL4713116; CHEMBL2003783; 6-chloro-3-imidazo[1,2-a]pyridin-2-yl-2h-chromen-2-one; HMS1413E07; ZINC457683; MCULE-7532956937; NSC-701100; IDI1_008666; NCGC00284043-01; NCI60_036350; EU-0033536; AB00112720-01; AB00112720-03; SR-01000390232; SR-01000390232-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701100	.	.	.	.	296.71	C16H9ClN2O2	43.6	467	4	21	0	3	1	InChI=1S/C16H9ClN2O2/c17-11-4-5-14-10(7-11)8-12(16(20)21-14)13-9-19-6-2-1-3-15(19)18-13/h1-9H	C1=CC2=NC(=CN2C=C1)C3=CC4=C(C=CC(=C4)Cl)OC3=O	KLGZOTKVIMZRON-UHFFFAOYSA-N
DG58393	"3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one"	395977	"3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one; 313536-23-1; 3-{6-chloroimidazo[1,2-a]pyridin-2-yl}-2H-chromen-2-one; NSC701101; Oprea1_459892; Oprea1_597308; SCHEMBL4726437; 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)chromen-2-one; CHEMBL1978471; ZINC325068; STK075040; AKOS000512025; CCG-342718; MCULE-5928060871; NSC-701101; NCI60_036351; SR-01000390229; SR-01000390229-1; F0803-0002"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701101	.	.	.	.	296.71	C16H9ClN2O2	43.6	467	4	21	0	3	1	InChI=1S/C16H9ClN2O2/c17-11-5-6-15-18-13(9-19(15)8-11)12-7-10-3-1-2-4-14(10)21-16(12)20/h1-9H	C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=C(C=CC4=N3)Cl	USHQNQQPZIXCBP-UHFFFAOYSA-N
DG58394	"6-chloro-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one"	395978	"6-chloro-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one; NSC701102; Oprea1_120197; CHEMBL1976954; ZINC244907; STK046849; AKOS005384801; MCULE-8348373606; NSC-701102; NCI60_036352; SR-01000312849; SR-01000312849-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701102	.	.	.	.	331.1	C16H8Cl2N2O2	43.6	499	4.7	22	0	3	1	InChI=1S/C16H8Cl2N2O2/c17-10-1-3-14-9(5-10)6-12(16(21)22-14)13-8-20-7-11(18)2-4-15(20)19-13/h1-8H	C1=CC2=C(C=C1Cl)C=C(C(=O)O2)C3=CN4C=C(C=CC4=N3)Cl	BOGFSYNPPDEDKY-UHFFFAOYSA-N
DG58395	"3-Imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one"	395979	"313536-24-2; 3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one; 3-{7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-4-yl}-2H-chromen-2-one; NSC701103; ChemDiv3_000752; CHEMBL1976648; HMS1475C04; ZINC354183; CCG-15700; STK022465; AKOS001599488; MCULE-5696710414; NSC-701103; IDI1_019718; NCI60_036353; EU-0035448; SR-01000405980; SR-01000405980-1; BRD-K64302767-001-01-9; F0110-0079; 3-(benzo[d]imidazo[2,1-b]thiazol-2-yl)-2H-chromen-2-one; 3-(imidazo[2,1-b][1,3]benzothiazol-2-yl)-2H-chromen-2-one; 3-imidazo[2,1-b][1,3]benzothiazol-2-yl-2H-chromen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701103	.	.	.	.	318.4	C18H10N2O2S	71.8	537	4.9	23	0	4	1	InChI=1S/C18H10N2O2S/c21-17-12(9-11-5-1-3-7-15(11)22-17)13-10-20-14-6-2-4-8-16(14)23-18(20)19-13/h1-10H	C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C5=CC=CC=C5SC4=N3	HSRAFAOEQXTADE-UHFFFAOYSA-N
DG58396	"9-methoxy-2-(6-methoxy-2-oxo-2H-chromen-3-yl)-4-methyl-5H-chromeno[3,4-c]pyridin-5-one"	395981	"9-methoxy-2-(6-methoxy-2-oxo-2H-chromen-3-yl)-4-methyl-5H-chromeno[3,4-c]pyridin-5-one; NSC701105; Oprea1_436249; Oprea1_557088; CHEMBL2005882; HMS1659N11; ZINC856324; STK057163; AKOS005386549; MCULE-1739338977; NSC-701105; NCI60_036355"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701105	.	.	.	.	415.4	C24H17NO6	84	752	4	31	0	7	3	"InChI=1S/C24H17NO6/c1-12-22-17(16-10-15(29-3)5-7-21(16)31-24(22)27)11-19(25-12)18-9-13-8-14(28-2)4-6-20(13)30-23(18)26/h4-11H,1-3H3"	CC1=C2C(=CC(=N1)C3=CC4=C(C=CC(=C4)OC)OC3=O)C5=C(C=CC(=C5)OC)OC2=O	VRFGPDQRBCIBQU-UHFFFAOYSA-N
DG58397	3-[2-(4-Fluoro-phenylamino)-thiazol-4-yl]-chromen-2-one	395984	"NSC701108; Oprea1_205726; Oprea1_836538; IFLab1_000623; CHEMBL1993945; 3-[2-(4-Fluoro-phenylamino)-thiazol-4-yl]-chromen-2-one; HMS1413M07; ZINC191853; 3-{2-[(4-fluorophenyl)amino]-1,3-thiazol-4-yl}-2h-chromen-2-one; AKOS000512061; MCULE-6887532943; NSC-701108; IDI1_008842; NCI60_036358; SR-01000397913; SR-01000397913-1; F0110-0217; 3-(2-((4-fluorophenyl)amino)thiazol-4-yl)-2h-chromen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701108	.	.	.	.	338.4	C18H11FN2O2S	79.5	507	4.6	24	1	6	3	"InChI=1S/C18H11FN2O2S/c19-12-5-7-13(8-6-12)20-18-21-15(10-24-18)14-9-11-3-1-2-4-16(11)23-17(14)22/h1-10H,(H,20,21)"	C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC4=CC=C(C=C4)F	WUXCRRLYEAAGNH-UHFFFAOYSA-N
DG58398	"3-[2-(3,5-Dichloroanilino)-1,3-thiazol-4-yl]chromen-2-one"	395985	NSC701109; CHEMBL1997194; NSC-701109; NCI60_036359	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701109	.	.	.	.	389.3	C18H10Cl2N2O2S	79.5	537	5.7	25	1	5	3	"InChI=1S/C18H10Cl2N2O2S/c19-11-6-12(20)8-13(7-11)21-18-22-15(9-25-18)14-5-10-3-1-2-4-16(10)24-17(14)23/h1-9H,(H,21,22)"	C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC4=CC(=CC(=C4)Cl)Cl	RHNYEXMYEIYNIC-UHFFFAOYSA-N
DG58399	2-Benzooxazol-2-yl-benzo[f]chromen-3-one	395987	"2-Benzooxazol-2-yl-benzo[f]chromen-3-one; MLS000526218; SMR000116692; NSC701111; 2-(1,3-benzoxazol-2-yl)benzo[f]chromen-3-one; Oprea1_297118; Oprea1_358026; 2-(1,3-benzoxazol-2-yl)-3h-benzo[f]chromen-3-one; cid_395987; SCHEMBL5940951; CHEMBL1440463; BDBM52233; HMS2475C15; ZINC2493340; AKOS000668400; MCULE-4828809741; NSC-701111; NCI60_036361; AB00080092-01; 2-(1,3-benzoxazol-2-yl)-3-benzo[f][1]benzopyranone; F0341-0562"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701111	.	.	.	.	313.3	C20H11NO3	52.3	545	4.7	24	0	4	1	InChI=1S/C20H11NO3/c22-20-15(19-21-16-7-3-4-8-18(16)23-19)11-14-13-6-2-1-5-12(13)9-10-17(14)24-20/h1-11H	C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=NC5=CC=CC=C5O4	IGQLBIZUYPZOGO-UHFFFAOYSA-N
DG58400	3-(2-Benzothiazolyl)-6-methoxycoumarin	395990	"3-(2-Benzothiazolyl)-6-methoxycoumarin; 3-(1,3-benzothiazol-2-yl)-6-methoxy-2H-chromen-2-one; 245072-50-8; 3-(1,3-benzothiazol-2-yl)-6-methoxychromen-2-one; NSC701114; Oprea1_501480; Oprea1_527738; CHEMBL1997695; ZINC57946; STL368389; AKOS000415468; MCULE-3929041561; NSC-701114; NCGC00318076-01; NCI60_036364; EU-0035516; AB00126281-02; AH-034/11696189; SR-01000405928; SR-01000405928-1; Z56813767; 2H-1-Benzopyran-2-one, 3-(2-benzothiazolyl)-6-methoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701114	.	.	.	.	309.3	C17H11NO3S	76.7	481	4	22	0	5	2	"InChI=1S/C17H11NO3S/c1-20-11-6-7-14-10(8-11)9-12(17(19)21-14)16-18-13-4-2-3-5-15(13)22-16/h2-9H,1H3"	COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NC4=CC=CC=C4S3	HKOKDCKQIDYUFY-UHFFFAOYSA-N
DG58401	"2-(1,3-benzothiazol-2-yl)-3H-benzo[f]chromen-3-one"	395991	"2-(1,3-benzothiazol-2-yl)-3H-benzo[f]chromen-3-one; 70546-21-3; 2-(1,3-benzothiazol-2-yl)benzo[f]chromen-3-one; NSC701115; CHEMBL1988185; SCHEMBL15398164; ZINC244602; STK863043; AKOS000419356; MCULE-6384086810; NSC-701115; NCI60_036365; 2-(2-Benzothiazolyl)-3H-naphtho[2,1-b]pyran-3-one; 2-(benzo[d]thiazol-2-yl)-3H-benzo[f]chromen-3-one; F0341-0563"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701115	.	.	.	.	329.4	C20H11NO2S	67.4	548	5.3	24	0	4	1	InChI=1S/C20H11NO2S/c22-20-15(19-21-16-7-3-4-8-18(16)24-19)11-14-13-6-2-1-5-12(13)9-10-17(14)23-20/h1-11H	C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=NC5=CC=CC=C5S4	JPPWEIAVDSSHIT-UHFFFAOYSA-N
DG58402	"(1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-(hydroxyamino)cyclopentane-1,2-diol;hydrochloride"	395996	NSC701169; CHEMBL1988381; NSC-701169	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701169	.	.	.	.	302.72	C10H15ClN6O3	142	334	.	20	6	8	2	"InChI=1S/C10H14N6O3.ClH/c11-9-6-10(13-2-12-9)16(3-14-6)5-1-4(15-19)7(17)8(5)18;/h2-5,7-8,15,17-19H,1H2,(H2,11,12,13);1H/t4-,5+,7+,8-;/m0./s1"	C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)O)NO.Cl	OWEFVASYSWZFDS-RDSGXXSDSA-N
DG58403	"[(8R)-13,14,15-trimethoxy-5-methylsulfanyl-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl] benzoate"	396011	"CHEMBL52340; NSC701186; BDBM50409023; NSC-701186; NCI60_036378; (5R)-5-(Benzoyloxy)-3-(methylthio)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cycloheptene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701186	.	.	.	.	450.5	C26H26O5S	79.3	609	5.7	32	0	6	7	"InChI=1S/C26H26O5S/c1-28-22-14-17-10-13-21(31-26(27)16-8-6-5-7-9-16)20-15-18(32-4)11-12-19(20)23(17)25(30-3)24(22)29-2/h5-9,11-12,14-15,21H,10,13H2,1-4H3/t21-/m1/s1"	COC1=C(C(=C2C(=C1)CC[C@H](C3=C2C=CC(=C3)SC)OC(=O)C4=CC=CC=C4)OC)OC	ZLWUTUQLJPJYQB-OAQYLSRUSA-N
DG58404	"7-amino-2-(5-bromothiophen-2-yl)-1H-1,8-naphthyridin-4-one"	396018	NSC701193; CHEMBL2006501; NSC-701193; NCI60_036385	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701193	.	.	.	.	322.18	C12H8BrN3OS	96.2	390	2.9	18	2	5	1	"InChI=1S/C12H8BrN3OS/c13-10-3-2-9(18-10)7-5-8(17)6-1-4-11(14)16-12(6)15-7/h1-5H,(H3,14,15,16,17)"	C1=CC(=NC2=C1C(=O)C=C(N2)C3=CC=C(S3)Br)N	USCOXGKLCOOGGG-UHFFFAOYSA-N
DG58405	"7-amino-2-thiophen-2-yl-1H-1,8-naphthyridin-4-one"	396019	NSC701194; CHEMBL2007121; NSC-701194; NCI60_036386	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701194	.	.	.	.	243.29	C12H9N3OS	96.2	358	1.8	17	2	5	1	"InChI=1S/C12H9N3OS/c13-11-4-3-7-9(16)6-8(14-12(7)15-11)10-2-1-5-17-10/h1-6H,(H3,13,14,15,16)"	C1=CSC(=C1)C2=CC(=O)C3=C(N2)N=C(C=C3)N	HSTLNPRJMWUBDQ-UHFFFAOYSA-N
DG58406	"1-(2-Chloro-6-fluorophenyl)-6-methoxy-3H-thiazolo[3,4-a]benzimidazole"	396040	"NSC701312; CHEMBL1986482; NSC-701312; NCI60_036399; 1H,4-a]benzimidazole, 1-(2-chloro-6-fluorophenyl)-6-methoxy-; 1-(2-Chloro-6-fluorophenyl)-6-methoxy-1H,3H-thiazolo[3,4-a]benzimidazole; 1-(2-Chloro-6-fluorophenyl)-6-methoxy-3H-thiazolo[3,4-a]benzimidazole; 1-(2-chloro-6-fluoro-phenyl)-6-methoxy-1,3-dihydrothiazolo[3,4-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701312	.	.	.	.	334.8	C16H12ClFN2OS	52.4	418	4.1	22	0	4	2	"InChI=1S/C16H12ClFN2OS/c1-21-9-5-6-13-12(7-9)19-14-8-22-16(20(13)14)15-10(17)3-2-4-11(15)18/h2-7,16H,8H2,1H3"	COC1=CC2=C(C=C1)N3C(SCC3=N2)C4=C(C=CC=C4Cl)F	FYHTYCWPRDGVDK-UHFFFAOYSA-N
DG58407	"1-(2,6-Dichlorophenyl)-6-methoxy-3H-thiazolo[3,4-a]benzimidazole"	396042	"NSC701314; CHEMBL2003363; NSC-701314; NCI60_036401; 1H,4-a]benzimidazole, 1-(2,6-dichlorophenyl)-6-methoxy-; 1-(2,6-Dichlorophenyl)-6-methoxy-3H-thiazolo[3,4-a]benzimidazole; 1-(2,6-dichlorophenyl)-6-methoxy-1,3-dihydrothiazolo[3,4-a]benzimidazole; 1-(2,6-Dichlorophenyl)-6-methoxy-1H,3H-thiazolo[3,4-a]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701314	.	.	.	.	351.2	C16H12Cl2N2OS	52.4	406	4.6	22	0	3	2	"InChI=1S/C16H12Cl2N2OS/c1-21-9-5-6-13-12(7-9)19-14-8-22-16(20(13)14)15-10(17)3-2-4-11(15)18/h2-7,16H,8H2,1H3"	COC1=CC2=C(C=C1)N3C(SCC3=N2)C4=C(C=CC=C4Cl)Cl	GYCGPAKNEADXKK-UHFFFAOYSA-N
DG58408	6-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-4-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile	396044	NSC701371; CHEMBL2003931; NSC-701371; NCI60_036403	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701371	.	.	.	.	493.9	C27H16ClN5O3	124	966	5.2	36	2	6	4	"InChI=1S/C27H16ClN5O3/c28-18-5-10-21-24(11-12-30-26(21)13-18)31-19-6-1-17(2-7-19)25-14-22(23(15-29)27(34)32-25)16-3-8-20(9-4-16)33(35)36/h1-14H,(H,30,31)(H,32,34)"	C1=CC(=CC=C1C2=CC(=C(C(=O)N2)C#N)C3=CC=C(C=C3)[N+](=O)[O-])NC4=C5C=CC(=CC5=NC=C4)Cl	KFWBNUJLXYXMLU-UHFFFAOYSA-N
DG58409	6-[4-[(7-Chloroquinoline-4-yl)amino]phenyl]-3-cyano-4-(4-methoxyphenyl)pyridine-2(1H)-one	396045	NSC701372; CHEMBL2003983; NSC-701372; NCI60_036404; 6-[4-[(7-Chloroquinoline-4-yl)amino]phenyl]-3-cyano-4-(4-methoxyphenyl)pyridine-2(1H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701372	.	.	.	.	478.9	C28H19ClN4O2	87	892	5.4	35	2	5	5	"InChI=1S/C28H19ClN4O2/c1-35-21-9-4-17(5-10-21)23-15-26(33-28(34)24(23)16-30)18-2-7-20(8-3-18)32-25-12-13-31-27-14-19(29)6-11-22(25)27/h2-15H,1H3,(H,31,32)(H,33,34)"	COC1=CC=C(C=C1)C2=C(C(=O)NC(=C2)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)C#N	JSFKXKLFFXFGSU-UHFFFAOYSA-N
DG58410	6-[4-[(7-Chloroquinoline-4-yl)amino]phenyl]-3-cyano-4-(4-methoxy-1-naphthyl)pyridine-2(1H)-one	396046	"NSC701373; CHEMBL1993012; NSC-701373; NCI60_036405; 3-Pyridinecarbonitrile,2-dihydro- 4-(4-methoxy-1-naphthalenyl)-2-oxo-; 6-[4-[(7-Chloroquinoline-4-yl)amino]phenyl]-3-cyano-4-(4-methoxy-1-naphthyl)pyridine-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701373	.	.	.	.	529	C32H21ClN4O2	87	1020	6.6	39	2	5	5	"InChI=1S/C32H21ClN4O2/c1-39-31-13-12-23(22-4-2-3-5-24(22)31)26-17-29(37-32(38)27(26)18-34)19-6-9-21(10-7-19)36-28-14-15-35-30-16-20(33)8-11-25(28)30/h2-17H,1H3,(H,35,36)(H,37,38)"	COC1=CC=C(C2=CC=CC=C21)C3=C(C(=O)NC(=C3)C4=CC=C(C=C4)NC5=C6C=CC(=CC6=NC=C5)Cl)C#N	JFDBHILMMOEWCY-UHFFFAOYSA-N
DG58411	2-Amino-4-(4-chlorophenyl)-6-[4-[(7-chloroquinolin-4-yl)amino]phenyl]pyridine-3-carbonitrile	396047	NSC701374; CHEMBL1976890; NSC-701374; NCI60_036406	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701374	.	.	.	.	482.4	C27H17Cl2N5	87.6	711	7.1	34	2	5	4	"InChI=1S/C27H17Cl2N5/c28-18-5-1-16(2-6-18)22-14-25(34-27(31)23(22)15-30)17-3-8-20(9-4-17)33-24-11-12-32-26-13-19(29)7-10-21(24)26/h1-14H,(H2,31,34)(H,32,33)"	C1=CC(=CC=C1C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)N)NC4=C5C=CC(=CC5=NC=C4)Cl	ZUJULRAQZYOOSO-UHFFFAOYSA-N
DG58412	"3-Pyridinecarbonitrile,2-dihydro-2-imino-4-(4-nitrophenyl)-"	396048	"NSC701375; CHEMBL1971125; NSC-701375; NCI60_036407; 3-Pyridinecarbonitrile,2-dihydro- 2-imino-4-(4-nitrophenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701375	.	.	.	.	492.9	C27H17ClN6O2	133	800	6.3	36	2	7	4	"InChI=1S/C27H17ClN6O2/c28-18-5-10-21-24(11-12-31-26(21)13-18)32-19-6-1-17(2-7-19)25-14-22(23(15-29)27(30)33-25)16-3-8-20(9-4-16)34(35)36/h1-14H,(H2,30,33)(H,31,32)"	C1=CC(=CC=C1C2=NC(=C(C(=C2)C3=CC=C(C=C3)[N+](=O)[O-])C#N)N)NC4=C5C=CC(=CC5=NC=C4)Cl	BWJPZFXOFSDRLV-UHFFFAOYSA-N
DG58413	6-[4-[[7-(Trifluoromethyl)quinoline-4-yl]amino]phenyl]-3-cyano-4-(4-chlorophenyl)pyridine-2(1H)-one	396051	"NSC701378; CHEMBL1992210; STL435530; ZINC73411000; AKOS022022619; MCULE-9277645065; NSC-701378; 3-Pyridinecarbonitrile,2-dihydro-2-oxo-; NCI60_036410; 4-(4-chlorophenyl)-2-oxo-6-(4-{[7-(trifluoromethyl)-4-quinolyl]amino}phenyl)-1,2-dihydro-3-pyridinecarbonitrile; 4-(4-chlorophenyl)-2-oxo-6-(4-{[7-(trifluoromethyl)quinolin-4-yl]amino}phenyl)-1,2-dihydropyridine-3-carbonitrile; 6-[4-[[7-(Trifluoromethyl)quinoline-4-yl]amino]phenyl]-3-cyano-4-(4-chlorophenyl)pyridine-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701378	.	.	.	.	516.9	C28H16ClF3N4O	77.8	970	6.3	37	2	7	4	"InChI=1S/C28H16ClF3N4O/c29-19-6-1-16(2-7-19)22-14-25(36-27(37)23(22)15-33)17-3-8-20(9-4-17)35-24-11-12-34-26-13-18(28(30,31)32)5-10-21(24)26/h1-14H,(H,34,35)(H,36,37)"	C1=CC(=CC=C1C2=CC(=C(C(=O)N2)C#N)C3=CC=C(C=C3)Cl)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F	KZNANIOGPVFLQB-UHFFFAOYSA-N
DG58414	2-Amino-4-(4-chlorophenyl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile	396055	NSC701382; CHEMBL1968382; NSC-701382; NCI60_036414	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701382	.	.	.	.	515.9	C28H17ClF3N5	87.6	801	7.4	37	2	8	4	"InChI=1S/C28H17ClF3N5/c29-19-6-1-16(2-7-19)22-14-25(37-27(34)23(22)15-33)17-3-8-20(9-4-17)36-24-11-12-35-26-13-18(28(30,31)32)5-10-21(24)26/h1-14H,(H2,34,37)(H,35,36)"	C1=CC(=CC=C1C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)N)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F	ZKNPLNOOMLEKKX-UHFFFAOYSA-N
DG58415	2-Amino-4-(4-nitrophenyl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile	396056	NSC701383; CHEMBL2005211; NSC-701383; NCI60_036415	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701383	.	.	.	.	526.5	C28H17F3N6O2	133	890	6.6	39	2	10	4	"InChI=1S/C28H17F3N6O2/c29-28(30,31)18-5-10-21-24(11-12-34-26(21)13-18)35-19-6-1-17(2-7-19)25-14-22(23(15-32)27(33)36-25)16-3-8-20(9-4-16)37(38)39/h1-14H,(H2,33,36)(H,34,35)"	C1=CC(=CC=C1C2=NC(=C(C(=C2)C3=CC=C(C=C3)[N+](=O)[O-])C#N)N)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F	IKDDSIVWLPUDKP-UHFFFAOYSA-N
DG58416	"1,5-g]Quinoline-5-carboxylic acid, 6-(2-fluorophenyl)-5,8-dihydro-8-oxo-, 1,1-dimethylethyl ester"	396059	"NSC701389; SCHEMBL7229384; CHEMBL1974850; NSC-701389; NCI60_036418; 1,5-g]quinoline-5-carboxylic acid, 6-(2-fluorophenyl)-5,8-dihydro-8-oxo-, 1,1-dimethylethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701389	.	.	.	.	383.4	C21H18FNO5	65.099	672	3.9	28	0	6	3	"InChI=1S/C21H18FNO5/c1-21(2,3)28-20(25)23-15(12-6-4-5-7-14(12)22)9-17(24)13-8-18-19(10-16(13)23)27-11-26-18/h4-10H,11H2,1-3H3"	CC(C)(C)OC(=O)N1C2=CC3=C(C=C2C(=O)C=C1C4=CC=CC=C4F)OCO3	UJPVNVLPJKZMFZ-UHFFFAOYSA-N
DG58417	"5,3-Dioxolo[4,5-h][2]benzoxepin-11-methanol, 5,7,8,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-"	396064	"NSC701564; CHEMBL2003760; NSC-701564; NCI60_036425; 5,3-dioxolo[4,5-h][2]benzoxepin-11-methanol, 5,7,8,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701564	.	.	.	.	400.4	C22H24O7	75.6	574	2.5	29	1	7	5	"InChI=1S/C22H24O7/c1-24-19-6-14(7-20(25-2)21(19)26-3)22-15-8-18-17(27-11-28-18)5-12(15)4-13(10-29-22)16(22)9-23/h5-8,13,16,23H,4,9-11H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C23C(C(CC4=CC5=C(C=C42)OCO5)CO3)CO	QJUAJRMLIMHQCQ-UHFFFAOYSA-N
DG58418	"[1-(3,4-Dimethoxyphenyl)-4,5-dimethoxy-11-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methyl acetate"	396066	NSC701566; CHEMBL1991535; NSC-701566; NCI60_036427	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701566	.	.	.	.	428.5	C24H28O7	72.4	627	3.2	31	0	7	8	"InChI=1S/C24H28O7/c1-14(25)30-13-19-16-8-15-9-21(27-3)23(29-5)11-18(15)24(19,31-12-16)17-6-7-20(26-2)22(10-17)28-4/h6-7,9-11,16,19H,8,12-13H2,1-5H3"	CC(=O)OCC1C2CC3=CC(=C(C=C3C1(OC2)C4=CC(=C(C=C4)OC)OC)OC)OC	GVZPMSFHNAIPPW-UHFFFAOYSA-N
DG58419	"Ethyl 2-methyl-4-oxo-2,3,8,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),10,12-triene-7-carboxylate"	396077	NSC701587; CHEMBL2002716; NSC-701587; NCI60_036438	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701587	.	.	.	.	276.29	C13H16N4O3	74.8	430	1.1	20	1	6	3	"InChI=1S/C13H16N4O3/c1-3-20-12(19)13-7-6-10(18)17(13)16(2)11-9(15-13)5-4-8-14-11/h4-5,8,15H,3,6-7H2,1-2H3"	CCOC(=O)C12CCC(=O)N1N(C3=C(N2)C=CC=N3)C	KDHNUVXFYQMVIC-UHFFFAOYSA-N
DG58420	"7,12-Dihydro-9-(trifluoromethyl)indolo[3,2-d][1]benzazepine-6(5H)-one"	396079	"CHEMBL329505; 7,12-Dihydro-9-(trifluoromethyl)indolo[3,2-d][1]benzazepine-6(5H)-one; Paullone Analog 7; NSC701590; 9-trifluoromethylpaullone; BDBM7268; SCHEMBL5688281; NSC 701590; NSC-701590; NCI60_036440; 14-(trifluoromethyl)-8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701590	.	.	.	.	316.28	C17H11F3N2O	44.9	481	3.4	23	2	4	0	"InChI=1S/C17H11F3N2O/c18-17(19,20)9-5-6-14-11(7-9)12-8-15(23)21-13-4-2-1-3-10(13)16(12)22-14/h1-7,22H,8H2,(H,21,23)"	C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)C(F)(F)F	MILILGJHFMDHIJ-UHFFFAOYSA-N
DG58421	"2,3-Dimethoxy-7,12-dihydroindolo[3,2-d][1]benzazepine-6(5H)-one"	396081	"CHEMBL431634; NSC701592; Paullone Analog 31; 2,3-dimethoxypaullone; BDBM7292; SCHEMBL5688243; NSC 701592; NSC-701592; NCI60_036442; 2,3-Dimethoxy-7,12-dihydroindolo[3,2-d][1]benzazepine-6(5H)-one; 4,5-dimethoxy-8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701592	.	.	.	.	308.3	C18H16N2O3	63.4	458	2.5	23	2	3	2	"InChI=1S/C18H16N2O3/c1-22-15-7-12-14(9-16(15)23-2)19-17(21)8-11-10-5-3-4-6-13(10)20-18(11)12/h3-7,9,20H,8H2,1-2H3,(H,19,21)"	COC1=C(C=C2C(=C1)C3=C(CC(=O)N2)C4=CC=CC=C4N3)OC	YAKJZHVHEIOVIR-UHFFFAOYSA-N
DG58422	NSC701598	396086	"[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate; NSC701598; CHEMBL2003711; NSC-701598; NCI60_036445"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701598	.	.	.	.	801.9	C37H61FN5O11P	209	1400	5.5	55	5	12	26	"InChI=1S/C37H61FN5O11P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-39-30-19-21-42(36(47)40-30)35-33(45)32(44)29(54-35)25-52-55(49,50)51-24-28-27(38)22-31(53-28)43-23-26(2)34(46)41-37(43)48/h19,21,23,27-29,31-33,35,44-45H,3-18,20,22,24-25H2,1-2H3,(H,49,50)(H,39,40,47)(H,41,46,48)"	CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)F)O)O	BRVPZZGFLZGOIS-UHFFFAOYSA-N
DG58423	NSC701599	396087	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-[[[5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate; NSC701599; CHEMBL1995023; NSC-701599; NCI60_036446"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701599	.	.	.	.	799.8	C36H55FN5O12P	212	1490	5.2	55	3	13	25	"InChI=1S/C36H55FN5O12P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-31(44)38-30-19-20-41(35(46)39-30)32-18-17-26(53-32)23-50-55(48,49)51-24-29-28(52-25(2)43)21-33(54-29)42-22-27(37)34(45)40-36(42)47/h19-20,22,26,28-29,32-33H,3-18,21,23-24H2,1-2H3,(H,48,49)(H,40,45,47)(H,38,39,44,46)"	CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2CCC(O2)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)OC(=O)C	BGFMCUBCGRHTQG-UHFFFAOYSA-N
DG58424	"N,N-Diethyl-N'-(5-methyl-9-methoxy-6H-pyridazino[4,5-b]carbazole-1-yl)-1,3-propanediamine"	396092	"NSC701616; CHEMBL1984641; NSC-701616; NCI60_036451; 6H-Pyridazino[4, N-[3-(diethylamino)propyl]-9-methoxy-5-methyl-; N,N-Diethyl-N'-(5-methyl-9-methoxy-6H-pyridazino[4,5-b]carbazole-1-yl)-1,3-propanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701616	.	.	.	.	391.5	C23H29N5O	61.2	787	4.3	29	2	6	8	"InChI=1S/C23H29N5O/c1-5-28(6-2)11-7-10-24-23-19-13-18-17-12-16(29-4)8-9-21(17)26-22(18)15(3)20(19)14-25-27-23/h8-9,12-14,24,27H,5-7,10-11H2,1-4H3"	CCN(CC)CCCNC1=C2C=C3C4=C(C=CC(=C4)OC)N=C3C(=C2C=NN1)C	IEZOBFSVGSKQLY-UHFFFAOYSA-N
DG58425	"N,N-Diethyl-N'-(5-methyl-9-methoxy-6H-pyridazino[4,5-b]carbazole-4-yl)-1,3-propanediamine"	396093	"NSC701617; CHEMBL1991365; NSC-701617; NCI60_036452; N,N-Diethyl-N'-(5-methyl-9-methoxy-6H-pyridazino[4,5-b]carbazole-4-yl)-1,3-propanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701617	.	.	.	.	391.5	C23H29N5O	61.2	952	4.3	29	2	6	8	"InChI=1S/C23H29N5O/c1-5-28(6-2)11-7-10-24-23-21-15(3)22-19(12-16(21)14-25-27-23)18-13-17(29-4)8-9-20(18)26-22/h8-9,12-14,24,27H,5-7,10-11H2,1-4H3"	CCN(CC)CCCNC1=C2C(=C3C(=C4C=C(C=CC4=N3)OC)C=C2C=NN1)C	CBLMWYVRDBKVBG-UHFFFAOYSA-N
DG58426	"2,5-Dimethyl-3-phenyl-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile"	396108	"NSC701656; CHEMBL1984640; NSC-701656; NCI60_036467; 2,5-Dimethyl-3-phenyl-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701656	.	.	.	.	265.27	C14H11N5O	73.8	475	2.8	20	0	4	1	"InChI=1S/C14H11N5O/c1-9-11(8-15)13-16-17-18(2)14(20)19(13)12(9)10-6-4-3-5-7-10/h3-7H,1-2H3"	CC1=C(N2C(=C1C#N)N=NN(C2=O)C)C3=CC=CC=C3	XWPAERWARDJSEV-UHFFFAOYSA-N
DG58427	"7-Methyl-4-oxo-3,6-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	396109	"NSC701657; CHEMBL1964914; NSC-701657; NCI60_036468; 3,5-Diphenyl-2-methyl-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile; 7-Methyl-4-oxo-3,6-diphenyl-3,4-dihydropyrrolo[2,1-d][1,2,3,5]tetraazine-8-carbonitrile; 7-methyl-4-oxo-3,6-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701657	.	.	.	.	327.3	C19H13N5O	73.8	584	4.4	25	0	4	2	"InChI=1S/C19H13N5O/c1-13-16(12-20)18-21-22-24(15-10-6-3-7-11-15)19(25)23(18)17(13)14-8-4-2-5-9-14/h2-11H,1H3"	CC1=C(N2C(=C1C#N)N=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4	CWLBHIMBKQEBAE-UHFFFAOYSA-N
DG58428	"2-Methyl-4-oxo-3,5-diphenyl-4,5-dihydro-3a,5,6,7-tetraaza-indene-1-carboxylic acid ethyl ester"	396110	"NSC701658; CHEMBL1976129; NSC-701658; NCI60_036469; 2-Methyl-4-oxo-3,5-diphenyl-4,5-dihydro-3a,5,6,7-tetraaza-indene-1-carboxylic acid ethyl ester; 3,5-Diphenyl-2-methyl-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701658	.	.	.	.	374.4	C21H18N4O3	76.3	613	4.9	28	0	5	5	"InChI=1S/C21H18N4O3/c1-3-28-20(26)17-14(2)18(15-10-6-4-7-11-15)24-19(17)22-23-25(21(24)27)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3"	CCOC(=O)C1=C2N=NN(C(=O)N2C(=C1C)C3=CC=CC=C3)C4=CC=CC=C4	GTHFSDQKTBMTAB-UHFFFAOYSA-N
DG58429	"2-Methyl-3-phenyl-5-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile"	396111	"NSC701659; CHEMBL1992258; NSC-701659; NCI60_036470; 2-Methyl-3-phenyl-5-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile; 5-(4-Methoxy-phenyl)-2-methyl-4-oxo-3-phenyl-4,5-dihydro-3a,5,6,7-tetraaza-indene-1-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701659	.	.	.	.	357.4	C20H15N5O2	83	630	4.3	27	0	5	3	"InChI=1S/C20H15N5O2/c1-13-17(12-21)19-22-23-25(15-8-10-16(27-2)11-9-15)20(26)24(19)18(13)14-6-4-3-5-7-14/h3-11H,1-2H3"	CC1=C(N2C(=C1C#N)N=NN(C2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4	YVGNFUYXSLUBDU-UHFFFAOYSA-N
DG58430	"Ethyl 3-(4-methoxyphenyl)-4-oxo-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate"	396112	"NSC701660; CHEMBL1989529; NSC-701660; ethyl 3-(4-methoxyphenyl)-4-oxo-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate; NCI60_036471; Ethyl 3-(4-methoxyphenyl)-4-oxo-3,4-dihydro[1,2,3,5]tetraazino[5,4-a]indole-10-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701660	.	.	.	.	364.4	C19H16N4O4	85.5	605	4.2	27	0	6	5	"InChI=1S/C19H16N4O4/c1-3-27-18(24)16-14-6-4-5-7-15(14)22-17(16)20-21-23(19(22)25)12-8-10-13(26-2)11-9-12/h4-11H,3H2,1-2H3"	CCOC(=O)C1=C2N=NN(C(=O)N2C3=CC=CC=C31)C4=CC=C(C=C4)OC	OZEROYIKTYQJND-UHFFFAOYSA-N
DG58431	"Ethyl 4-oxo-3-phenyl-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate"	396113	"NSC701661; CHEMBL2005510; ethyl 4-oxo-3-phenyl-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate; NSC-701661; NCI60_036472; Ethyl 4-oxo-3-phenyl-3,4-dihydro[1,2,3,5]tetraazino[5,4-a]indole-10-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701661	.	.	.	.	334.3	C18H14N4O3	76.3	561	4.2	25	0	5	4	"InChI=1S/C18H14N4O3/c1-2-25-17(23)15-13-10-6-7-11-14(13)21-16(15)19-20-22(18(21)24)12-8-4-3-5-9-12/h3-11H,2H2,1H3"	CCOC(=O)C1=C2N=NN(C(=O)N2C3=CC=CC=C31)C4=CC=CC=C4	MVBRMPHSRUYJTQ-UHFFFAOYSA-N
DG58432	"Ethyl 3-methyl-4-oxo-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate"	396114	"NSC701662; CHEMBL1986625; ethyl 3-methyl-4-oxo-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate; NSC-701662; NCI60_036473; Ethyl 3-methyl-4-oxo-3,4-dihydro[1,2,3,5]tetraazino[5,4-a]indole-10-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701662	.	.	.	.	272.26	C13H12N4O3	76.3	453	2.6	20	0	5	3	"InChI=1S/C13H12N4O3/c1-3-20-12(18)10-8-6-4-5-7-9(8)17-11(10)14-15-16(2)13(17)19/h4-7H,3H2,1-2H3"	CCOC(=O)C1=C2N=NN(C(=O)N2C3=CC=CC=C31)C	ZCKOYIJGYLRNSK-UHFFFAOYSA-N
DG58433	"2,6-ditert-butyl-4-[(2Z)-3-[3-(dimethylamino)propyl]-2-phenylimino-thiazol-4-yl]phenol"	396117	"NSC701664; Oprea1_332464; CHEMBL2000846; ZINC12659044; AKOS001047245; AKOS030750958; MCULE-4271839333; NSC-701664; NCI60_036475; 2,6-ditert-butyl-4-[(2Z)-3-[3-(dimethylamino)propyl]-2-phenylimino-thiazol-4-yl]phenol; 2,6-Di-tert-butyl-4-(3-(3-(dimethylamino)propyl)-2-(phenylimino)-2,3-dihydro-1,3-thiazol-4-yl)phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701664	.	.	.	.	465.7	C28H39N3OS	64.4	673	7.3	33	1	4	8	"InChI=1S/C28H39N3OS/c1-27(2,3)22-17-20(18-23(25(22)32)28(4,5)6)24-19-33-26(29-21-13-10-9-11-14-21)31(24)16-12-15-30(7)8/h9-11,13-14,17-19,32H,12,15-16H2,1-8H3"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=NC3=CC=CC=C3)N2CCCN(C)C	YBINNOMVIRWVBR-UHFFFAOYSA-N
DG58434	"N-(3-(3-(Dimethylamino)propyl)-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)aniline"	396118	"NSC701665; N-(3-(3-(Dimethylamino)propyl)-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)aniline; N-[3-[3-(Dimethylamino)propyl]-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene]aniline; ChemDiv3_001104; Probes1_000122; Probes2_000123; Oprea1_023643; Oprea1_480721; CBDivE_012645; CHEMBL1971107; HMS1476C04; ZINC985418; AKOS001032018; AKOS030695180; ZINC103391652; MCULE-3674280785; NSC-701665; IDI1_020070; NCGC00172986-01; NCI60_036476; AB00709386-01; SR-01000420190; SR-01000420190-1; Z56762893; 3-[(2Z)-4-(4-methoxyphenyl)-2-phenylimino-thiazol-3-yl]-N,N-dimethyl-propan-1-amine; 3-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-N-phenyl-2,3-dihydro-1,3-thiazol-2-imine; N-(3-(3-(Dimethylamino)propyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-ylidene)-N-phenylamine; 301675-80-9; N-[(2Z)-3-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene]-N-phenylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701665	.	.	.	.	367.5	C21H25N3OS	53.4	492	4.3	26	0	4	7	"InChI=1S/C21H25N3OS/c1-23(2)14-7-15-24-20(17-10-12-19(25-3)13-11-17)16-26-21(24)22-18-8-5-4-6-9-18/h4-6,8-13,16H,7,14-15H2,1-3H3"	CN(C)CCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC=C(C=C3)OC	POVGDMXEDGPTGA-UHFFFAOYSA-N
DG58435	3-allyl-4-(4-chlorophenyl)-N-(2-methoxyphenyl)thiazol-2-imine	396120	"NSC701666; ST50046827; Oprea1_448989; Oprea1_487002; 1049970-43-5; CHEMBL2008018; DTXSID30327919; ZINC1455029; AKOS001013559; AKOS030659944; ZINC254819985; MCULE-8333107161; NCI60_036477; AB00709580-01; 3-allyl-4-(4-chlorophenyl)-N-(2-methoxyphenyl)thiazol-2-imine; N-(3-Allyl-4-(4-chlorophenyl)-1,3-thiazol-2(3H)-ylidene)-2-methoxyaniline hydrobromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701666	.	.	.	.	356.9	C19H17ClN2OS	50.1	500	5.2	24	0	3	5	"InChI=1S/C19H17ClN2OS/c1-3-12-22-17(14-8-10-15(20)11-9-14)13-24-19(22)21-16-6-4-5-7-18(16)23-2/h3-11,13H,1,12H2,2H3"	COC1=CC=CC=C1N=C2N(C(=CS2)C3=CC=C(C=C3)Cl)CC=C	YJXGUOCYDKSVDO-UHFFFAOYSA-N
DG58436	N-{4-(4-bromophenyl)-3-[3-(dimethylamino) propyl]thiazol-2(3H)-ylidene}aniline	396126	"NSC701670; N-(4-(4-Bromophenyl)-3-(3-(dimethylamino)propyl)-1,3-thiazol-2-ylidene)-N-phenylamine; N-{4-(4-bromophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazol-2-ylidene}-N-phenylamine; Oprea1_302217; Oprea1_613594; CBDivE_014298; SCHEMBL4402121; CHEMBL1967378; ZINC4471472; AKOS001013397; AKOS030696376; ZINC252666392; MCULE-3861478332; NSC-701670; NCI60_036481; AB00709576-01; AG-690/33779063; 3-[(2Z)-4-(4-bromophenyl)-2-phenylimino-thiazol-3-yl]-N,N-dimethyl-propan-1-amine; N-(4-(4-Bromophenyl)-3-(3-(dimethylamino)propyl)-1,3-thiazol-2(3H)-ylidene)aniline; N-{4-(4-bromophenyl)-3-[3-(dimethylamino) propyl]thiazol-2(3H)-ylidene}aniline; N-{4-(4-bromophenyl)-3-[3-(dimethylamino)propyl]thiazol-2(3H)-ylidene}aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701670	.	.	.	.	416.4	C20H22BrN3S	44.1	477	5	25	0	3	6	"InChI=1S/C20H22BrN3S/c1-23(2)13-6-14-24-19(16-9-11-17(21)12-10-16)15-25-20(24)22-18-7-4-3-5-8-18/h3-5,7-12,15H,6,13-14H2,1-2H3"	CN(C)CCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC=C(C=C3)Br	BIMDMCJUWJXNSQ-UHFFFAOYSA-N
DG58437	"3-Amino-2-(4-chlorobenzoyl)-4-(2-chlorophenyl)-6-methyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide"	396188	"NSC701736; Oprea1_403149; Oprea1_850578; C28H19Cl2N3O2S; CHEMBL2005168; ZINC1862727; STK026649; ZINC01862727; AKOS001580941; MCULE-6514393555; NSC-701736; 3-Amino-2-(4-chlorobenzoyl)-4-(2-chlorophenyl)-6-methyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide; NCI60_036505; SR-01000395663; SR-01000395663-1; 3-Amino-2-(4-chloro-benzoyl)-4-(2-chloro-phenyl)-6-methyl-thieno[2,3-b]pyridine-; 185409-65-8; 3-amino-2-(4-chlorobenzoyl)-4-(2-chlorophenyl)-6-methyl-N-phenyl-thieno[2,3-b]pyridine-5-carboxamide; 3-amino-4-(2-chlorophenyl)-2-[(4-chlorophenyl)carbonyl]-6-methyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701736	.	.	.	.	532.4	C28H19Cl2N3O2S	113	789	7.9	36	2	5	5	"InChI=1S/C28H19Cl2N3O2S/c1-15-21(27(35)33-18-7-3-2-4-8-18)22(19-9-5-6-10-20(19)30)23-24(31)26(36-28(23)32-15)25(34)16-11-13-17(29)14-12-16/h2-14H,31H2,1H3,(H,33,35)"	CC1=C(C(=C2C(=C(SC2=N1)C(=O)C3=CC=C(C=C3)Cl)N)C4=CC=CC=C4Cl)C(=O)NC5=CC=CC=C5	PLSNWQNFIZVKLC-UHFFFAOYSA-N
DG58438	"1,3-bis[2-[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]urea"	396192	NSC701743; CHEMBL1972756; NSC-701743; NCI60_036506	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701743	.	.	.	.	807.7	C45H36Cl2N8O3	165	1430	7.4	58	6	5	6	"InChI=1S/C45H36Cl2N8O3/c46-19-25-21-54(39-17-33(48)29-5-1-3-7-31(29)41(25)39)43(56)37-15-23-13-27(9-11-35(23)52-37)50-45(58)51-28-10-12-36-24(14-28)16-38(53-36)44(57)55-22-26(20-47)42-32-8-4-2-6-30(32)34(49)18-40(42)55/h1-18,25-26,52-53H,19-22,48-49H2,(H2,50,51,58)"	C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)NC5=CC6=C(C=C5)NC(=C6)C(=O)N7CC(C8=C7C=C(C9=CC=CC=C98)N)CCl)C=C(C1=CC=CC=C12)N)CCl	MHWKSYHMRXRKFJ-UHFFFAOYSA-N
DG58439	"1,3-Bis[5-[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carbonyl]-2-methylpyrazol-3-yl]urea"	396193	NSC701744; CHEMBL2001400; SCHEMBL13498786; NSC-701744; NCI60_036507	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701744	.	.	.	.	737.6	C37H34Cl2N10O3	169	1250	4.4	52	4	7	6	"InChI=1S/C37H34Cl2N10O3/c1-46-31(13-27(44-46)35(50)48-17-19(15-38)33-23-9-5-3-7-21(23)25(40)11-29(33)48)42-37(52)43-32-14-28(45-47(32)2)36(51)49-18-20(16-39)34-24-10-6-4-8-22(24)26(41)12-30(34)49/h3-14,19-20H,15-18,40-41H2,1-2H3,(H2,42,43,52)"	CN1C(=CC(=N1)C(=O)N2CC(C3=C2C=C(C4=CC=CC=C43)N)CCl)NC(=O)NC5=CC(=NN5C)C(=O)N6CC(C7=C6C=C(C8=CC=CC=C87)N)CCl	NVDGQLMNXXSKEI-UHFFFAOYSA-N
DG58440	NSC701745	396194	"methyl 4-(2-aminoethylamino)-8-(chloromethyl)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;hydrochloride; NSC701745; CHEMBL1973044; NSC-701745"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701745	.	.	.	.	592.5	C27H31Cl2N5O6	144	886	.	40	5	8	10	"InChI=1S/C27H30ClN5O6.ClH/c1-36-20-8-13-7-17(31-22(13)25(38-3)24(20)37-2)26(34)33-12-14(11-28)21-15-9-18(27(35)39-4)32-23(15)16(10-19(21)33)30-6-5-29;/h7-10,14,30-32H,5-6,11-12,29H2,1-4H3;1H"	COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=C4C=C(N5)C(=O)OC)NCCN)CCl)OC)OC.Cl	VATFORKEFUIOMK-UHFFFAOYSA-N
DG58441	Acetic acid;methyl-[(1-methyl-5-nitropyrrol-2-yl)methyl]-bis[3-[(9-methylphenazine-1-carbonyl)amino]propyl]azanium;acetate	396198	NSC701748; CHEMBL1991154; NSC-701748	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701748	.	.	.	.	843.9	C45H49N9O8	238	1280	.	62	3	12	12	"InChI=1S/C41H41N9O4.2C2H4O2/c1-26-11-5-15-31-36(26)46-38-29(13-7-17-33(38)44-31)40(51)42-21-9-23-50(4,25-28-19-20-35(48(28)3)49(53)54)24-10-22-43-41(52)30-14-8-18-34-39(30)47-37-27(2)12-6-16-32(37)45-34;2*1-2(3)4/h5-8,11-20H,9-10,21-25H2,1-4H3,(H-,42,43,51,52);2*1H3,(H,3,4)"	CC1=C2C(=CC=C1)N=C3C=CC=C(C3=N2)C(=O)NCCC[N+](C)(CCCNC(=O)C4=CC=CC5=NC6=CC=CC(=C6N=C54)C)CC7=CC=C(N7C)[N+](=O)[O-].CC(=O)O.CC(=O)[O-]	LJPOOOQCBDSGLQ-UHFFFAOYSA-N
DG58442	NSC701749	396200	"(4-nitrophenyl)methyl N-[1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]carbamate;hydrochloride; NSC701749; CHEMBL1983613; NSC-701749"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701749	.	.	.	.	678.6	C34H33Cl2N5O6	133	1070	.	47	3	7	10	"InChI=1S/C34H32ClN5O6.ClH/c1-38(2)13-14-45-25-11-12-28-22(15-25)16-30(36-28)33(41)39-19-23(18-35)32-27-6-4-3-5-26(27)29(17-31(32)39)37-34(42)46-20-21-7-9-24(10-8-21)40(43)44;/h3-12,15-17,23,36H,13-14,18-20H2,1-2H3,(H,37,42);1H"	CN(C)CCOC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)NC(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])CCl.Cl	CJUFICHCLRMVJS-UHFFFAOYSA-N
DG58443	"1H-Indole, 3-[4-(1H-indol-3-yl)-2-thiazolyl]-"	396206	"NSC701758; bis(3-indolyl)thiazole; CHEMBL359073; SCHEMBL19059522; ZINC103926; 2,4-bis(1H-indol-3-yl)thiazole; 2,4-Bis(1H-indole-3-yl)thiazole; STK008852; AKOS000563531; MCULE-8089499675; NSC-701758; NCI60_036516; 3,3'-(1,3-thiazole-2,4-diyl)bis(1H-indole); 1H-Indole, 3-[4-(1H-indol-3-yl)-2-thiazolyl]-; 3-(2-(1H-Indol-3-yl)-1,3-thiazol-4-yl)-1H-indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701758	.	.	.	.	315.4	C19H13N3S	72.7	431	4.5	23	2	2	2	"InChI=1S/C19H13N3S/c1-3-7-16-12(5-1)14(9-20-16)18-11-23-19(22-18)15-10-21-17-8-4-2-6-13(15)17/h1-11,20-21H"	C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)C4=CNC5=CC=CC=C54	PJCNOTRGTINARI-UHFFFAOYSA-N
DG58444	"2,4-Bis(6-bromo-1H-indole-3-yl)thiazole"	396207	"NSC701759; CHEMBL421797; NSC-701759; NCI60_036517; 2,4-bis(6-bromo-1H-indol-3-yl)thiazole; 2,4-Bis(6-bromo-1H-indole-3-yl)thiazole; 6-Bromo-3-(2-(6-bromo-1H-indol-3-yl)-1,3-thiazol-4-yl)-1H-indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701759	.	.	.	.	473.2	C19H11Br2N3S	72.7	495	5.9	25	2	2	2	"InChI=1S/C19H11Br2N3S/c20-10-1-3-12-14(7-22-16(12)5-10)18-9-25-19(24-18)15-8-23-17-6-11(21)2-4-13(15)17/h1-9,22-23H"	C1=CC2=C(C=C1Br)NC=C2C3=CSC(=N3)C4=CNC5=C4C=CC(=C5)Br	XFFGHWGOVNLQRT-UHFFFAOYSA-N
DG58445	"N-[3-Methoxy-4-(10H-indolo[3,2-b]quinolin-11-ylamino)phenyl]amidophosphoric acid diphenyl ester"	396276	"NSC701973; CHEMBL1988748; NSC-701973; NCI60_036530; N-[3-Methoxy-4-(10H-indolo[3,2-b]quinolin-11-ylamino)phenyl]amidophosphoric acid diphenyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701973	.	.	.	.	586.6	C34H27N4O4P	97.5	921	7.9	43	3	7	9	"InChI=1S/C34H27N4O4P/c1-40-31-22-23(38-43(39,41-24-12-4-2-5-13-24)42-25-14-6-3-7-15-25)20-21-30(31)37-33-26-16-8-10-18-28(26)35-32-27-17-9-11-19-29(27)36-34(32)33/h2-22,36H,1H3,(H,35,37)(H,38,39)"	COC1=C(C=CC(=C1)NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)NC4=C5C(=NC6=CC=CC=C64)C7=CC=CC=C7N5	KOUXEZNGSRQALN-UHFFFAOYSA-N
DG58446	"2-Formylnaphtho[2,3-b]furan-4,9-dione"	396286	"NSC701984; CHEMBL476506; SCHEMBL12640092; NSC-701984; 2-formylnaphtho[2,3-b]furan-4,9-dione; NCI60_036540; 4H,3-b]furan-2-carboxaldehyde, 4,9-dioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701984	.	.	.	.	226.18	C13H6O4	64.4	376	2.1	17	0	4	1	InChI=1S/C13H6O4/c14-6-7-5-10-11(15)8-3-1-2-4-9(8)12(16)13(10)17-7/h1-6H	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC(=C3)C=O	UADBPJPLVDEBOC-UHFFFAOYSA-N
DG58447	"2-Bromo-naphtho[2,3-b]furan-4,9-dione"	396287	"2-bromo-naphtho[2,3-b]furan-4,9-dione; NSC701985; 2-bromonaphtho[2,3-b]furan-4,9-dione; SCHEMBL28705; CHEMBL1981015; Naphtho[2,9-dione, 2-bromo-; NSC-701985; 189763-09-5; NCI60_036541"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701985	.	.	.	.	277.07	C12H5BrO3	47.3	341	3.3	16	0	3	0	InChI=1S/C12H5BrO3/c13-9-5-8-10(14)6-3-1-2-4-7(6)11(15)12(8)16-9/h1-5H	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC(=C3)Br	TWHCOSZEYZCNSM-UHFFFAOYSA-N
DG58448	"1,3-Dibromo-5-butylthieno[3,4-c]pyrrole-4,6-dione"	396288	"190723-14-9; 1,3-dibromo-5-butylthieno[3,4-c]pyrrole-4,6-dione; 4H-Thieno[3,4-c]pyrrole-4,6(5H)-dione, 1,3-dibromo-5-butyl-; NSC701986; CHEMBL1967685; SCHEMBL16356283; 1,3-Dibromo-5-butyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione; NSC-701986; NCI60_036542"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701986	.	.	.	.	367.06	C10H9Br2NO2S	65.6	300	3.9	16	0	3	3	"InChI=1S/C10H9Br2NO2S/c1-2-3-4-13-9(14)5-6(10(13)15)8(12)16-7(5)11/h2-4H2,1H3"	CCCCN1C(=O)C2=C(SC(=C2C1=O)Br)Br	QIEDHDBRHPTGIL-UHFFFAOYSA-N
DG58449	"Methyl-4-(1-hydroxy-4-oxocyclohexa-2,5-di-enyl)prop-3-yn-oate"	396292	"NSC701992; CHEMBL1968536; NSC-701992; NCI60_036547; Methyl-4-(1-hydroxy-4-oxocyclohexa-2,5-di-enyl)prop-3-yn-oate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701992	.	.	.	.	192.17	C10H8O4	63.6	373	0.3	14	1	4	2	"InChI=1S/C10H8O4/c1-14-9(12)4-7-10(13)5-2-8(11)3-6-10/h2-3,5-6,13H,1H3"	COC(=O)C#CC1(C=CC(=O)C=C1)O	SBCNOLLKGYTHEH-UHFFFAOYSA-N
DG58450	"4-(1H-pyrrol-2-yl)-2,1,3-benzothiadiazole"	396293	NSC701993; CHEMBL1999486; NSC-701993; NCI60_036548	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701993	.	.	.	.	201.25	C10H7N3S	69.8	212	2.2	14	1	3	1	"InChI=1S/C10H7N3S/c1-3-7(8-5-2-6-11-8)10-9(4-1)12-14-13-10/h1-6,11H"	C1=CC2=NSN=C2C(=C1)C3=CC=CN3	KAOSOERJKWLBPX-UHFFFAOYSA-N
DG58451	"4,7-Di(thiophen-2-yl)benzo[c][1,2,5]thiadiazole"	396294	"165190-76-1; 4,7-Di(thiophen-2-yl)benzo[c][1,2,5]thiadiazole; NSC701994; 4,7-dithiophen-2-yl-2,1,3-benzothiadiazole; 4,7-Di(2-thienyl)-2,1,3-benzothiadiazole; 4,7-Bis(thiophen-2-yl)benzo[c][1,2,5]thiadiazole; 4,7-Di(thiophen-2-yl)-2,1,3-benzothiadiazole; MFCD18252231; NSC-701994; 4,7-di-2-thienyl-2,1,3-Benzothiadiazole; C14H8N2S3; 2,1,3-Benzothiadiazole, 4,7-di-2-thienyl-; SCHEMBL41299; CHEMBL2006064; DTXSID60327922; ZINC1862801; 8387AA; AKOS016011649; DS-6904; NSC 701994; DA-09535; NCI60_036549; SY033221; 4,7-dithien-2-yl-2,1,3-benzothiadiazole; D4487; FT-0701942; 4,7-bis(2-thienyl)-2,1,3-benzothiadiazole; 4,7-bis(thien-2-yl)-2,1,3-benzothiadiazole; 4,7-Di(thiophen-2-yl)benzo[c ][1,2,5]thiadiazole; 4,7-DI(THIOPHEN-2-YL)BENZO[C][1,2,5] THIADIAZOLE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701994	.	.	.	.	300.4	C14H8N2S3	111	298	4.5	19	0	5	2	InChI=1S/C14H8N2S3/c1-3-11(17-7-1)9-5-6-10(12-4-2-8-18-12)14-13(9)15-19-16-14/h1-8H	C1=CSC(=C1)C2=CC=C(C3=NSN=C23)C4=CC=CS4	XGERJWSXTKVPSV-UHFFFAOYSA-N
DG58452	"4-(5-Thiophen-2-ylthiophen-2-yl)-2,1,3-benzothiadiazole"	396295	NSC701995; CHEMBL1993550; SCHEMBL23521570; NSC-701995; NCI60_036550	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701995	.	.	.	.	300.4	C14H8N2S3	111	328	4.5	19	0	5	2	InChI=1S/C14H8N2S3/c1-3-9(14-10(4-1)15-19-16-14)11-6-7-13(18-11)12-5-2-8-17-12/h1-8H	C1=CC2=NSN=C2C(=C1)C3=CC=C(S3)C4=CC=CS4	HMJKBNPZAYGUTI-UHFFFAOYSA-N
DG58453	"[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl] 1H-indole-2-carboxylate"	396302	"NSC702015; CHEMBL382620; NSC-702015; NCI60_036560; 1H-Indole-2-carboxylic acid,3,5,11a-tetrahydro-7-methoxy-5-oxo- 1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl ester, (11aS)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702015	.	.	.	.	389.4	C22H19N3O4	84	683	3	29	1	5	4	"InChI=1S/C22H19N3O4/c1-28-19-10-15-17(23-12-14-6-4-8-25(14)21(15)26)11-20(19)29-22(27)18-9-13-5-2-3-7-16(13)24-18/h2-3,5,7,9-12,14,24H,4,6,8H2,1H3/t14-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OC(=O)C4=CC5=CC=CC=C5N4	MQRZJGARDSCQHC-AWEZNQCLSA-N
DG58454	3-Amino-2-(3-amino-4-oxo-quinazolin-2-yl)sulfanyl-quinazolin-4-one	396306	"NSC702030; CHEMBL1991883; 3-amino-2-(3-amino-4-oxo-quinazolin-2-yl)sulfanyl-quinazolin-4-one; NSC-702030; NCI60_036564; 4(3H)-Quinazolinone,2'-thiobis[3-amino-; 2,2'-thiodi / 3-amino-4(3H)-quinazolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702030	.	.	.	.	352.4	C16H12N6O2S	143	597	1.3	25	2	7	2	"InChI=1S/C16H12N6O2S/c17-21-13(23)9-5-1-3-7-11(9)19-15(21)25-16-20-12-8-4-2-6-10(12)14(24)22(16)18/h1-8H,17-18H2"	C1=CC=C2C(=C1)C(=O)N(C(=N2)SC3=NC4=CC=CC=C4C(=O)N3N)N	KYPLKQLLJQEVNV-UHFFFAOYSA-N
DG58455	2-[3-Methyl-4-[acetoxy(acetyl)amino]phenyl]benzothiazole	396348	NSC702152; CHEMBL133648; NSC-702152; NCI60_036609; 2-[3-Methyl-4-[acetoxy(acetyl)amino]phenyl]benzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702152	.	.	.	.	340.4	C18H16N2O3S	87.7	487	3.8	24	0	5	4	"InChI=1S/C18H16N2O3S/c1-11-10-14(18-19-15-6-4-5-7-17(15)24-18)8-9-16(11)20(12(2)21)23-13(3)22/h4-10H,1-3H3"	CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)N(C(=O)C)OC(=O)C	HKTUANSLAHBTFQ-UHFFFAOYSA-N
DG58456	2-Iodo-4-(6-fluoro-2-benzothiazolyl)aniline	396350	NSC702154; CHEMBL35163; SCHEMBL5691080; NSC-702154; NCI60_036611; 2-Iodo-4-(6-fluoro-2-benzothiazolyl)aniline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702154	.	.	.	.	370.19	C13H8FIN2S	67.2	307	4.1	18	1	4	1	"InChI=1S/C13H8FIN2S/c14-8-2-4-11-12(6-8)18-13(17-11)7-1-3-10(16)9(15)5-7/h1-6H,16H2"	C1=CC(=C(C=C1C2=NC3=C(S2)C=C(C=C3)F)I)N	YTJFKVURYWRVQQ-UHFFFAOYSA-N
DG58457	"2-Chloro-4-(6-fluoro-1,3-benzothiazol-2-yl)aniline"	396351	NSC702155; CHEMBL32636; SCHEMBL5691309; AKOS017699891; NSC-702155; NCI60_036612	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702155	.	.	.	.	278.73	C13H8ClFN2S	67.2	307	4.1	18	1	4	1	"InChI=1S/C13H8ClFN2S/c14-9-5-7(1-3-10(9)16)13-17-11-4-2-8(15)6-12(11)18-13/h1-6H,16H2"	C1=CC(=C(C=C1C2=NC3=C(S2)C=C(C=C3)F)Cl)N	DUUPIQIOPHJTOM-UHFFFAOYSA-N
DG58458	"[4-(6-Fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]amine"	396352	"NSC-702156; NSC702156; CHEMBL409842; SCHEMBL5691118; ZINC1862882; AKOS005061770; NCI60_036613; [4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702156	.	.	.	.	258.32	C14H11FN2S	67.2	302	3.8	18	1	4	1	"InChI=1S/C14H11FN2S/c1-8-6-9(2-4-11(8)16)14-17-12-5-3-10(15)7-13(12)18-14/h2-7H,16H2,1H3"	CC1=C(C=CC(=C1)C2=NC3=C(S2)C=C(C=C3)F)N	WKAIATUUHWQMHK-UHFFFAOYSA-N
DG58459	"7-Epi-3,4-bis-nor-dolastatin 11"	396354	"NSC702158; CHEMBL1987167; 7-epi-3,4-bis-nor-dolastatin 11; NSC-702158; NCI60_036615"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702158	.	.	.	.	943.1	C47H74N8O12	259	1780	3.6	67	5	12	8	"InChI=1S/C47H74N8O12/c1-15-28(6)39-44(63)50-24-35(56)53(11)33(22-26(2)3)42(61)49-25-36(57)55(13)38(27(4)5)45(64)54(12)34(23-31-16-18-32(66-14)19-17-31)43(62)51-29(7)40(59)47(9,10)46(65)52-30(8)41(60)48-21-20-37(58)67-39/h16-19,26-30,33-34,38-39H,15,20-25H2,1-14H3,(H,48,60)(H,49,61)(H,50,63)(H,51,62)(H,52,65)/t28-,29-,30+,33-,34-,38-,39-/m0/s1"	CC[C@H](C)[C@H]1C(=O)NCC(=O)N([C@H](C(=O)NCC(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)C(C(=O)N[C@@H](C(=O)NCCC(=O)O1)C)(C)C)C)CC2=CC=C(C=C2)OC)C)C(C)C)C)CC(C)C)C	UNKPTWGELDRDDE-VAAZOVBASA-N
DG58460	"L-Lysine,8-difluoro-7-methyl-4-oxo-4H-1-benzopyran-2-yl)-2-fluorophenyl]amide, trihydrobromide"	396363	"NSC702295; CHEMBL1965764; NSC-702295; 4H-1-Benzopyran-4-one,8-difluoro- 2-[3-fluoro-4-[(L-lysyl)amino]phenyl]-7-methyl-,trihydrobromide; L-Lysine,8-difluoro-7-methyl-4-oxo-4H- 1-benzopyran-2-yl)-2-fluorophenyl]amide, trihydrobromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702295	.	.	.	.	529.3	C22H24BrF3N4O3	134	725	.	33	5	9	7	"InChI=1S/C22H23F3N4O3.BrH/c1-10-18(24)20(28)17-15(30)9-16(32-21(17)19(10)25)11-5-6-14(12(23)8-11)29-22(31)13(27)4-2-3-7-26;/h5-6,8-9,13H,2-4,7,26-28H2,1H3,(H,29,31);1H/t13-;/m0./s1"	CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)NC(=O)[C@H](CCCCN)N)F)N)F.Br	NXHWPWWZVCZWHC-ZOWNYOTGSA-N
DG58461	Bipinnatin H	396365	Bipinnatin H; NSC702308; CHEMBL1974305; NSC-702308; NCI60_036620	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702308	.	.	.	.	460.5	C24H28O9	117	898	1.2	33	0	9	5	"InChI=1S/C24H28O9/c1-11-6-18-21-23(4,33-21)9-14-7-15(22(27)31-14)17(29-12(2)25)8-16(24(5)10-28-24)20(19(11)32-18)30-13(3)26/h6-7,14,16-17,20-21H,8-10H2,1-5H3/t14-,16 ,17-,20+,21-,23-,24-/m1/s1"	CC1=C2[C@H](C(C[C@H](C3=C[C@H](C[C@@]4([C@H](O4)C(=C1)O2)C)OC3=O)OC(=O)C)[C@]5(CO5)C)OC(=O)C	ZKPQWDXTJKFKDU-UJGRFZKXSA-N
DG58462	NSC702309	396366	"methyl 2-[(2S,4R,6S,10R,13S)-10,13-diacetyloxy-4,15-dimethyl-8-oxo-3,7,17-trioxatetracyclo[12.2.1.16,9.02,4]octadeca-1(16),9(18),14-trien-12-yl]prop-2-enoate; Bipinnatin I; NSC702309; NSC-702309; NCI60_036621"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702309	.	.	.	.	488.5	C25H28O10	131	969	1.6	35	0	10	7	"InChI=1S/C25H28O10/c1-11-7-19-22-25(5,35-22)10-15-8-17(24(29)33-15)18(31-13(3)26)9-16(12(2)23(28)30-6)21(20(11)34-19)32-14(4)27/h7-8,15-16,18,21-22H,2,9-10H2,1,3-6H3/t15-,16 ,18-,21+,22-,25-/m1/s1"	CC1=C2[C@H](C(C[C@H](C3=C[C@H](C[C@@]4([C@H](O4)C(=C1)O2)C)OC3=O)OC(=O)C)C(=C)C(=O)OC)OC(=O)C	DORQEQXBYZYXMV-PJHHFKFRSA-N
DG58463	NSC702313	396370	"Methyl 2-[5,6,12,13-tetracyano-9-(2-methoxy-2-oxoethyl)-2,4,7,9,11,14-hexazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl]acetate; NSC702313; CHEMBL1970172; NSC-702313; NCI60_036625"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702313	.	.	.	.	430.3	C18H10N10O4	206	827	0.2	32	0	14	6	"InChI=1S/C18H10N10O4/c1-31-13(29)7-27-15-17(25-11(5-21)9(3-19)23-15)28(8-14(30)32-2)18-16(27)24-10(4-20)12(6-22)26-18/h7-8H2,1-2H3"	COC(=O)CN1C2=NC(=C(N=C2N(C3=NC(=C(N=C31)C#N)C#N)CC(=O)OC)C#N)C#N	DYAYGEFBXOWEKB-UHFFFAOYSA-N
DG58464	"5,6-Di(2-pyridyl)pyrazine-2,3-dicarbonitrile"	396371	"NSC702320; SCHEMBL7964309; CHEMBL1973813; NSC-702320; NCI60_036626; 5,6-dipyridinyl 2,3-pyrazinedicarbonitrile; 5,6-Di(2-pyridyl)pyrazine-2,3-dicarbonitrile; 5,6-bis(pyridin-2-yl)pyrazine-2,3-di-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702320	.	.	.	.	284.27	C16H8N6	99.1	430	1.1	22	0	6	2	InChI=1S/C16H8N6/c17-9-13-14(10-18)22-16(12-6-2-4-8-20-12)15(21-13)11-5-1-3-7-19-11/h1-8H	C1=CC=NC(=C1)C2=NC(=C(N=C2C3=CC=CC=N3)C#N)C#N	WGSBXSBPVUTUKB-UHFFFAOYSA-N
DG58465	"Ethyl 2-[(7-chloro-4,5-dioxopyrano[3,4-e][1,3]oxazin-2-yl)amino]acetate"	396372	NSC702321; CHEMBL1972309; NSC-702321; NCI60_036627	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702321	.	.	.	.	300.65	C11H9ClN2O6	103	578	1	20	1	6	5	"InChI=1S/C11H9ClN2O6/c1-2-18-7(15)4-13-11-14-9(16)8-5(19-11)3-6(12)20-10(8)17/h3H,2,4H2,1H3,(H,13,14,16)"	CCOC(=O)CNC1=NC(=O)C2=C(O1)C=C(OC2=O)Cl	QKSWMTWGVUUIHF-UHFFFAOYSA-N
DG58466	"Ethyl 2-[(7-chloro-4,5-dioxopyrano[3,4-e][1,3]oxazin-2-yl)amino]-3-(4-hydroxyphenyl)propanoate"	396373	NSC702322; CHEMBL1967584; NSC-702322; NCI60_036628	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702322	.	.	.	.	406.8	C18H15ClN2O7	124	766	2.6	28	2	7	7	"InChI=1S/C18H15ClN2O7/c1-2-26-16(24)11(7-9-3-5-10(22)6-4-9)20-18-21-15(23)14-12(27-18)8-13(19)28-17(14)25/h3-6,8,11,22H,2,7H2,1H3,(H,20,21,23)"	CCOC(=O)C(CC1=CC=C(C=C1)O)NC2=NC(=O)C3=C(O2)C=C(OC3=O)Cl	CVXPNZDLTOVMQP-UHFFFAOYSA-N
DG58467	"ethyl N-[(7-chloro-2-methylsulfanyl-4,5-dioxo-3H-pyrano[3,4-e][1,3]oxazin-2-yl)amino]carbamate"	396374	NSC702323; CHEMBL1986761; NSC-702323; NCI60_036629	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702323	.	.	.	.	349.75	C11H12ClN3O6S	140	592	1.2	22	3	8	5	"InChI=1S/C11H12ClN3O6S/c1-3-19-10(18)14-15-11(22-2)13-8(16)7-5(21-11)4-6(12)20-9(7)17/h4,15H,3H2,1-2H3,(H,13,16)(H,14,18)"	CCOC(=O)NNC1(NC(=O)C2=C(O1)C=C(OC2=O)Cl)SC	NBHPEOLVWKJOSN-UHFFFAOYSA-N
DG58468	"N-(2,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine"	396379	NSC702332; CHEMBL1964763; NSC-702332; NCI60_036634	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702332	.	.	.	.	331.4	C18H21NO5	58.5	378	3.1	24	0	6	7	"InChI=1S/C18H21NO5/c1-20-13-6-7-15(21-2)14(10-13)19-11-12-8-16(22-3)18(24-5)17(9-12)23-4/h6-11H,1-5H3"	COC1=CC(=C(C=C1)OC)N=CC2=CC(=C(C(=C2)OC)OC)OC	JBQWWSOCQKSNBJ-UHFFFAOYSA-N
DG58469	"3-(2-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	396384	"NSC702337; CHEMBL1971790; 3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one; MCULE-5526570480; NSC-702337; NCI60_036639; AR-685/43307786"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702337	.	.	.	.	375.4	C19H21NO5S	82.5	465	3.2	26	0	6	6	"InChI=1S/C19H21NO5S/c1-22-14-8-6-5-7-13(14)20-17(21)11-26-19(20)12-9-15(23-2)18(25-4)16(10-12)24-3/h5-10,19H,11H2,1-4H3"	COC1=CC=CC=C1N2C(SCC2=O)C3=CC(=C(C(=C3)OC)OC)OC	BISZVUFVGUNKSI-UHFFFAOYSA-N
DG58470	"4-Thiazolidinone,4,5-trimethoxyphenyl)-"	396385	"NSC702338; Oprea1_303727; CHEMBL1985930; NSC-702338; 4-Thiazolidinone,4,5-trimethoxyphenyl)-; NCI60_036640"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702338	.	.	.	.	379.9	C18H18ClNO4S	73.3	446	3.9	25	0	5	5	"InChI=1S/C18H18ClNO4S/c1-22-14-8-11(9-15(23-2)17(14)24-3)18-20(16(21)10-25-18)13-6-4-12(19)5-7-13/h4-9,18H,10H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC=C(C=C3)Cl	RRALBUQSJRAPDV-UHFFFAOYSA-N
DG58471	"3-(3,4-Dichlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	396387	NSC702340; CHEMBL1994572; NSC-702340; NCI60_036642	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702340	.	.	.	.	414.3	C18H17Cl2NO4S	73.3	486	4.5	26	0	5	5	"InChI=1S/C18H17Cl2NO4S/c1-23-14-6-10(7-15(24-2)17(14)25-3)18-21(16(22)9-26-18)11-4-5-12(19)13(20)8-11/h4-8,18H,9H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC(=C(C=C3)Cl)Cl	KKOBDOBLPQGGEI-UHFFFAOYSA-N
DG58472	"3-(3-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	396392	NSC702345; CHEMBL2002097; NSC-702345; NCI60_036647	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702345	.	.	.	.	375.4	C19H21NO5S	82.5	465	3.2	26	0	6	6	"InChI=1S/C19H21NO5S/c1-22-14-7-5-6-13(10-14)20-17(21)11-26-19(20)12-8-15(23-2)18(25-4)16(9-12)24-3/h5-10,19H,11H2,1-4H3"	COC1=CC=CC(=C1)N2C(SCC2=O)C3=CC(=C(C(=C3)OC)OC)OC	XATBKGGKQDOQRD-UHFFFAOYSA-N
DG58473	"9-Bromo-4-methoxy-7,12-dihydroindolo[3,2-d][1]benzazepine-6(5H)-one"	396411	"CHEMBL330398; NSC702373; Paullone Analog 47; 9-bromo-4-methoxypaullone; BDBM7308; SCHEMBL5688257; NSC 702373; NSC-702373; NCI60_036666; 9-Bromo-4-methoxy-7,12-dihydroindolo[3,2-d][1]benzazepine-6(5H)-one; 14-bromo-6-methoxy-8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702373	.	.	.	.	357.2	C17H13BrN2O2	54.1	446	3.2	22	2	2	1	"InChI=1S/C17H13BrN2O2/c1-22-14-4-2-3-10-16-12(8-15(21)20-17(10)14)11-7-9(18)5-6-13(11)19-16/h2-7,19H,8H2,1H3,(H,20,21)"	COC1=CC=CC2=C1NC(=O)CC3=C2NC4=C3C=C(C=C4)Br	IZRNPQQLTKFPRZ-UHFFFAOYSA-N
DG58474	"2,3-Dimethoxy-7,12-dihydro-9-(trifluoromethyl)indolo[3,2-d][1]benzazepine-6(5H)-one"	396412	"CHEMBL328194; 2,3-Dimethoxy-7,12-dihydro-9-(trifluoromethyl)indolo[3,2-d][1]benzazepine-6(5H)-one; Paullone Analog 9; NSC702378; BDBM7270; SCHEMBL5688837; NSC 702378; NSC-702378; 2,3-dimethoxy-9-trifluoromethylpaullone; NCI60_036667; 4,5-dimethoxy-14-(trifluoromethyl)-8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702378	.	.	.	.	376.3	C19H15F3N2O3	63.4	573	3.4	27	2	6	2	"InChI=1S/C19H15F3N2O3/c1-26-15-6-12-14(8-16(15)27-2)23-17(25)7-11-10-5-9(19(20,21)22)3-4-13(10)24-18(11)12/h3-6,8,24H,7H2,1-2H3,(H,23,25)"	COC1=C(C=C2C(=C1)C3=C(CC(=O)N2)C4=C(N3)C=CC(=C4)C(F)(F)F)OC	RVTOIQOTZUKDTE-UHFFFAOYSA-N
DG58475	"2-(4-Chlorophenyl)-4a,7-dihydro-7-benzoylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylic acid dimethyl ester"	396442	"NSC702415; CHEMBL2005682; NSC-702415; NCI60_036686; 2-(4-Chlorophenyl)-4a,7-dihydro-7-benzoylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylic acid dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702415	.	.	.	.	450.9	C24H19ClN2O5	85.3	866	4.1	32	0	7	7	"InChI=1S/C24H19ClN2O5/c1-31-23(29)19-18-13-12-17(14-8-10-16(25)11-9-14)26-27(18)21(20(19)24(30)32-2)22(28)15-6-4-3-5-7-15/h3-13,18,21H,1-2H3"	COC(=O)C1=C(C(N2C1C=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C(=O)OC	OYIRNRPSPSOFHI-UHFFFAOYSA-N
DG58476	"2-(4-Chlorophenyl)-7-(4-nitrobenzoyl)pyrrolo[1,2-b]pyridazine-5,6-dicarboxylic acid dimethyl ester"	396446	"NSC702418; CHEMBL1979803; NSC-702418; NCI60_036689; 2-(4-Chlorophenyl)-7-(4-nitrobenzoyl)pyrrolo[1,2-b]pyridazine-5,6-dicarboxylic acid dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702418	.	.	.	.	493.8	C24H16ClN3O7	133	820	4.6	35	0	8	7	"InChI=1S/C24H16ClN3O7/c1-34-23(30)19-18-12-11-17(13-3-7-15(25)8-4-13)26-27(18)21(20(19)24(31)35-2)22(29)14-5-9-16(10-6-14)28(32)33/h3-12H,1-2H3"	COC(=O)C1=C2C=CC(=NN2C(=C1C(=O)OC)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl	BQKVEVWCLNMAMY-UHFFFAOYSA-N
DG58477	"N-[2-acetamido-6-[[(2R,3S)-2-(dibenzylamino)-3-hydroxyhexyl]amino]pyrimidin-4-yl]acetamide"	396448	NSC702421; CHEMBL2007586; NSC-702421; NCI60_036691	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702421	.	.	.	.	504.6	C28H36N6O3	120	663	3.8	37	4	7	13	"InChI=1S/C28H36N6O3/c1-4-11-25(37)24(17-29-26-16-27(30-20(2)35)33-28(32-26)31-21(3)36)34(18-22-12-7-5-8-13-22)19-23-14-9-6-10-15-23/h5-10,12-16,24-25,37H,4,11,17-19H2,1-3H3,(H3,29,30,31,32,33,35,36)/t24-,25+/m1/s1"	CCC[C@@H]([C@@H](CNC1=CC(=NC(=N1)NC(=O)C)NC(=O)C)N(CC2=CC=CC=C2)CC3=CC=CC=C3)O	NGFMYTICAGJPHK-RPBOFIJWSA-N
DG58478	2-[2-[2-[5-Bromo-3-[2-(oxan-2-yloxy)ethyl]thiophen-2-yl]thiophen-3-yl]ethoxy]oxane	396459	NSC702433; CHEMBL1986101; NSC-702433; NCI60_036702	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702433	.	.	.	.	501.5	C22H29BrO4S2	93.4	486	6	29	0	6	9	"InChI=1S/C22H29BrO4S2/c23-18-15-17(8-13-27-20-6-2-4-11-25-20)22(29-18)21-16(9-14-28-21)7-12-26-19-5-1-3-10-24-19/h9,14-15,19-20H,1-8,10-13H2"	C1CCOC(C1)OCCC2=C(SC=C2)C3=C(C=C(S3)Br)CCOC4CCCCO4	REWOKFJYEVCXDU-UHFFFAOYSA-N
DG58479	NSC702435	396461	2-[2-[3-(2-Hydroxyethyl)-5-[4-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-5-[4-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethanol; NSC702435; CHEMBL1968549; NSC-702435; NCI60_036704	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702435	.	.	.	.	759.1	C36H38O6S6	291	896	5.9	48	6	12	17	"InChI=1S/C36H38O6S6/c37-9-1-21-7-15-43-31(21)33-23(3-11-39)17-27(45-33)29-19-25(5-13-41)35(47-29)36-26(6-14-42)20-30(48-36)28-18-24(4-12-40)34(46-28)32-22(2-10-38)8-16-44-32/h7-8,15-20,37-42H,1-6,9-14H2"	C1=CSC(=C1CCO)C2=C(C=C(S2)C3=CC(=C(S3)C4=C(C=C(S4)C5=CC(=C(S5)C6=C(C=CS6)CCO)CCO)CCO)CCO)CCO	FDBOCQYTXBDDQA-UHFFFAOYSA-N
DG58480	[1-[2-(Trifluoromethylsulfonyloxy)dibenzofuran-1-yl]dibenzofuran-2-yl] trifluoromethanesulfonate	396462	NSC702436; CHEMBL1994916; NSC-702436; NCI60_036705	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702436	.	.	.	.	630.5	C26H12F6O8S2	130	1120	8.5	42	0	14	5	"InChI=1S/C26H12F6O8S2/c27-25(28,29)41(33,34)39-19-11-9-17-21(13-5-1-3-7-15(13)37-17)23(19)24-20(40-42(35,36)26(30,31)32)12-10-18-22(24)14-6-2-4-8-16(14)38-18/h1-12H"	C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3C4=C(C=CC5=C4C6=CC=CC=C6O5)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F	ZCNHNIMMBHGZHK-UHFFFAOYSA-N
DG58481	"(3beta,16alpha)-N-[2-(1H-Indol-3-yl)ethyl]-19-oxo-14,15-dihydro-1,14-secoeburnamenine-14-carboxamide"	396464	"NSC702438; CHEMBL1995847; NSC-702438; NCI60_036707; (3beta,16alpha)-N-[2-(1H-Indol-3-yl)ethyl]-19-oxo-14,15-dihydro-1,14-secoeburnamenine-14-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702438	.	.	.	.	482.6	C30H34N4O2	81	819	4.2	36	3	2	7	"InChI=1S/C30H34N4O2/c1-2-30(15-11-26(35)31-17-13-20-19-32-24-9-5-3-7-21(20)24)16-12-27(36)34-18-14-23-22-8-4-6-10-25(22)33-28(23)29(30)34/h3-10,19,29,32-33H,2,11-18H2,1H3,(H,31,35)/t29-,30+/m0/s1"	CC[C@]1(CCC(=O)N2[C@H]1C3=C(CC2)C4=CC=CC=C4N3)CCC(=O)NCCC5=CNC6=CC=CC=C65	FBMYCCPNTWRVBS-XZWHSSHBSA-N
DG58482	"4,5,6,7-Tetrahydro-1,8,13-triaza-9H-benzo[fg]naphthacene-9-one"	396466	"NSC702616; CHEMBL1999136; NSC-702616; NCI60_036710; 4,5,6,7-Tetrahydro-1,8,13-triaza-9H-benzo[fg]naphthacene-9-one; 9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 4,5,6,7-tetrahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702616	.	.	.	.	287.3	C18H13N3O	55.7	467	2.7	22	0	4	0	"InChI=1S/C18H13N3O/c22-18-12-5-3-8-19-15(12)16-14-11(7-9-20-16)10-4-1-2-6-13(10)21-17(14)18/h3,5,7-9H,1-2,4,6H2"	C1CCC2=NC3=C4C(=C2C1)C=CN=C4C5=C(C3=O)C=CC=N5	RZMXHENUFUPOLC-UHFFFAOYSA-N
DG58483	5-[5-(5-Formylfuran-2-yl)-1-methylpyrrol-2-yl]furan-2-carbaldehyde	396471	NSC702648; CHEMBL1971981; NSC-702648; NCI60_036715	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702648	.	.	.	.	269.25	C15H11NO4	65.4	341	1.8	20	0	4	4	"InChI=1S/C15H11NO4/c1-16-12(14-6-2-10(8-17)19-14)4-5-13(16)15-7-3-11(9-18)20-15/h2-9H,1H3"	CN1C(=CC=C1C2=CC=C(O2)C=O)C3=CC=C(O3)C=O	BNFCVDSGARMBAE-UHFFFAOYSA-N
DG58484	"2-[2-(Benzoyloxymethyl)-1,3-benzothiazol-6-yl]acetic acid"	396475	NSC702652; CHEMBL2007094; NSC-702652; NCI60_036719	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702652	.	.	.	.	327.4	C17H13NO4S	105	438	3.2	23	1	6	6	"InChI=1S/C17H13NO4S/c19-16(20)9-11-6-7-13-14(8-11)23-15(18-13)10-22-17(21)12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,20)"	C1=CC=C(C=C1)C(=O)OCC2=NC3=C(S2)C=C(C=C3)CC(=O)O	IGMOJYYAWGVZIS-UHFFFAOYSA-N
DG58485	(4-Methylphenyl)sulfonylcarbamoylsulfamic acid	396499	NSC702684; CHEMBL1966832; ZINC1655055; AKOS024358876; MCULE-8055599922; NSC-702684; NCI60_036741	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702684	.	.	.	.	294.3	C8H10N2O6S2	146	493	0	18	3	6	3	"InChI=1S/C8H10N2O6S2/c1-6-2-4-7(5-3-6)17(12,13)9-8(11)10-18(14,15)16/h2-5H,1H3,(H2,9,10,11)(H,14,15,16)"	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NS(=O)(=O)O	QGTURJWTCFSQEV-UHFFFAOYSA-N
DG58486	"3-(2,3-Dichloro-4,6-disulfamoylphenyl)-1,1-diphenylurea"	396505	NSC702690; CHEMBL1998817; NSC-702690; NCI60_036747	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702690	.	.	.	.	515.4	C19H16Cl2N4O5S2	169	847	3.2	32	3	7	5	"InChI=1S/C19H16Cl2N4O5S2/c20-16-14(31(22,27)28)11-15(32(23,29)30)18(17(16)21)24-19(26)25(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H,(H,24,26)(H2,22,27,28)(H2,23,29,30)"	C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NC3=C(C(=C(C=C3S(=O)(=O)N)S(=O)(=O)N)Cl)Cl	GHHTWAQXOJERPY-UHFFFAOYSA-N
DG58487	"1-(5,6-Dichloro-2,4-disulfamoylphenyl)-3-(3,4-dichlorophenyl)urea"	396507	"NSC702692; CHEMBL1996194; SCHEMBL19410829; NSC-702692; NCI60_036749; 1-(5,6-Dichloro-2,4-disulfamoylphenyl)-3-(3,4-dichlorophenyl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702692	.	.	.	.	508.2	C13H10Cl4N4O5S2	178	788	2.7	28	4	7	4	"InChI=1S/C13H10Cl4N4O5S2/c14-6-2-1-5(3-7(6)15)20-13(22)21-12-9(28(19,25)26)4-8(27(18,23)24)10(16)11(12)17/h1-4H,(H2,18,23,24)(H2,19,25,26)(H2,20,21,22)"	C1=CC(=C(C=C1NC(=O)NC2=C(C(=C(C=C2S(=O)(=O)N)S(=O)(=O)N)Cl)Cl)Cl)Cl	JTAPTZHOGDIFQE-UHFFFAOYSA-N
DG58488	NSC702734	396513	"3-[[(1R,4aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2-chloro-5-methoxycyclohexa-2,5-diene-1,4-dione; NSC702734; CHEMBL1999990; NSC-702734; NCI60_036754"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702734	.	.	.	.	376.9	C22H29ClO3	43.4	732	6.1	26	0	3	3	"InChI=1S/C22H29ClO3/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(23)16(24)11-17(26-5)20(15)25/h11,14,18H,1,6-10,12H2,2-5H3/t14 ,18 ,21-,22-/m1/s1"	CC1CC[C@]2(C([C@]1(C)CC3=C(C(=O)C=C(C3=O)OC)Cl)CCCC2=C)C	MHDMYMGQUJRUSW-VGFITYGFSA-N
DG58489	3-[5-(1H-indol-3-yl)pyrazin-2-yl]-1H-indole	396515	"NSC702755; 3-[5-(1H-indol-3-yl)pyrazin-2-yl]-1H-indole; CHEMBL2004106; SCHEMBL20017671; 2,5-Bis(1H-indole-3-yl)pyrazine; NSC-702755; NCI60_036756"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702755	.	.	.	.	310.4	C20H14N4	57.4	401	3.4	24	2	2	2	"InChI=1S/C20H14N4/c1-3-7-17-13(5-1)15(9-21-17)19-11-24-20(12-23-19)16-10-22-18-8-4-2-6-14(16)18/h1-12,21-22H"	C1=CC=C2C(=C1)C(=CN2)C3=CN=C(C=N3)C4=CNC5=CC=CC=C54	KENUOBFZYLZIHY-UHFFFAOYSA-N
DG58490	1-Methyl-3-[5-(1-methylindol-3-yl)pyrazin-2-yl]indole	396516	NSC702756; CHEMBL1978147; NSC-702756; NCI60_036757	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702756	.	.	.	.	338.4	C22H18N4	35.6	453	3.3	26	0	2	2	"InChI=1S/C22H18N4/c1-25-13-17(15-7-3-5-9-21(15)25)19-11-24-20(12-23-19)18-14-26(2)22-10-6-4-8-16(18)22/h3-14H,1-2H3"	CN1C=C(C2=CC=CC=C21)C3=CN=C(C=N3)C4=CN(C5=CC=CC=C54)C	KZSUMFYTSVZIRZ-UHFFFAOYSA-N
DG58491	ethyl 3-[6-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]dibenzofuran-4-yl]propanoate	396517	NSC702759; CHEMBL1964479; NSC-702759; NCI60_036758	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702759	.	.	.	.	533.6	C34H31NO5	77.8	841	7.2	40	1	5	11	"InChI=1S/C34H31NO5/c1-2-38-31(36)18-17-22-9-7-15-28-29-16-8-10-23(33(29)40-32(22)28)19-20-35-34(37)39-21-30-26-13-5-3-11-24(26)25-12-4-6-14-27(25)30/h3-16,30H,2,17-21H2,1H3,(H,35,37)"	CCOC(=O)CCC1=C2C(=CC=C1)C3=CC=CC(=C3O2)CCNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46	UHEHLXCADKABHP-UHFFFAOYSA-N
DG58492	"3,5-Bis-(2'-thienyl)-pyrrol"	396573	"NSC703062; CHEMBL1988358; 3,5-bis-(2'-thienyl)-pyrrol; NSC-703062; NCI60_036813"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703062	.	.	.	.	287.4	C14H9NO2S2	106	352	2.7	19	1	4	4	"InChI=1S/C14H9NO2S2/c16-7-9-6-11(12-4-3-10(8-17)19-12)15-14(9)13-2-1-5-18-13/h1-8,15H"	C1=CSC(=C1)C2=C(C=C(N2)C3=CC=C(S3)C=O)C=O	KVJCQPBWIHKPND-UHFFFAOYSA-N
DG58493	"4-benzylthio-1-propargyl-1H-pyrazolo[3,4-d]pyrimidine"	396581	"NSC703070; CHEMBL392390; NSC-703070; NCI60_036821; 4-benzylthio-1-propargyl-1H-pyrazolo[3,4-d]pyrimidine; 4-benzylsulfanyl-1-prop-2-ynyl-pyrazolo[3,4-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703070	.	.	.	.	280.3	C15H12N4S	68.9	360	2.7	20	0	4	4	"InChI=1S/C15H12N4S/c1-2-8-19-14-13(9-18-19)15(17-11-16-14)20-10-12-6-4-3-5-7-12/h1,3-7,9,11H,8,10H2"	C#CCN1C2=C(C=N1)C(=NC=N2)SCC3=CC=CC=C3	DOTRXCNRKKHNBP-UHFFFAOYSA-N
DG58494	"Ethyl-7-chloroimidazo(2,1-b)benzothiazole-2-carboxylate"	396584	"81022-05-1; ethyl-7-chloroimidazo(2,1-b)benzothiazole-2-carboxylate; ethyl 6-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate; 7-Chloroimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester; 7-Chloro-benzo[d]imidazo[2,1-b]thiazole-2-carboxylic acid ethyl ester; NSC703092; SCHEMBL2922674; CHEMBL2005187; ethyl 7-chloroimidazo[2,1-b]-benzthiazole-2-carboxylate; MFCD11215787; ZINC13219423; NSC-703092; NCI60_036824; ethyl 7-chloroimidazo[2,1-b]benzthiazole-2-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703092	.	.	.	.	280.73	C12H9ClN2O2S	71.8	344	4.5	18	0	4	3	"InChI=1S/C12H9ClN2O2S/c1-2-17-11(16)8-6-15-9-4-3-7(13)5-10(9)18-12(15)14-8/h3-6H,2H2,1H3"	CCOC(=O)C1=CN2C3=C(C=C(C=C3)Cl)SC2=N1	VMTUPCLFULPHMX-UHFFFAOYSA-N
DG58495	"Ethyl 6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate"	396589	"NSC703097; ethyl 6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate; CHEMBL1981439; SCHEMBL20518797; NSC-703097; NCI60_036829; 6,7-Dimethylimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester; imidazo[2,1-b]benzothiazole-2-carboxylic acid, 6,7-dimethyl-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703097	.	.	.	.	274.34	C14H14N2O2S	71.8	365	4.6	19	0	4	3	"InChI=1S/C14H14N2O2S/c1-4-18-13(17)10-7-16-11-5-8(2)9(3)6-12(11)19-14(16)15-10/h5-7H,4H2,1-3H3"	CCOC(=O)C1=CN2C3=C(C=C(C(=C3)C)C)SC2=N1	FCOFKKGEHRBJTE-UHFFFAOYSA-N
DG58496	"benzyl N-[(1,4-dimethyldibenzo-p-dioxin-2-yl)methyl]carbamate"	396591	NSC703099; CHEMBL1968774; NSC-703099; NCI60_036831	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703099	.	.	.	.	375.4	C23H21NO4	56.8	521	4.8	28	1	4	5	"InChI=1S/C23H21NO4/c1-15-12-18(13-24-23(25)26-14-17-8-4-3-5-9-17)16(2)22-21(15)27-19-10-6-7-11-20(19)28-22/h3-12H,13-14H2,1-2H3,(H,24,25)"	CC1=CC(=C(C2=C1OC3=CC=CC=C3O2)C)CNC(=O)OCC4=CC=CC=C4	VZWOVCYFEAIRLY-UHFFFAOYSA-N
DG58497	"N-(4-aminobutyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride"	396612	NSC703116; CHEMBL1984323; NSC-703116	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703116	.	.	.	.	464.1	C21H38ClN3O4S	116	608	.	30	3	7	10	"InChI=1S/C21H37N3O4S.ClH/c1-15-16(2)20(17(3)18-9-10-21(4,5)28-19(15)18)29(25,26)24(13-7-6-11-22)27-14-8-12-23;/h6-14,22-23H2,1-5H3;1H"	CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)N(CCCCN)OCCCN)C.Cl	ZSLMGTJFODQNKQ-UHFFFAOYSA-N
DG58498	"N-(5-aminopentyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride"	396614	NSC703117; CHEMBL1991864; NSC-703117	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703117	.	.	.	.	478.1	C22H40ClN3O4S	116	622	.	31	3	7	11	"InChI=1S/C22H39N3O4S.ClH/c1-16-17(2)21(18(3)19-10-11-22(4,5)29-20(16)19)30(26,27)25(28-15-9-13-24)14-8-6-7-12-23;/h6-15,23-24H2,1-5H3;1H"	CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)N(CCCCCN)OCCCN)C.Cl	RESIDKJSIXHVOW-UHFFFAOYSA-N
DG58499	"2-amino-4-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenol"	396623	NSC703122; CHEMBL1995406; NSC-703122; NCI60_036854	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703122	.	.	.	.	278.3	C18H18N2O	62	374	3.7	21	3	2	1	"InChI=1S/C18H18N2O/c19-15-10-11(8-9-17(15)21)12-5-3-6-14-13-4-1-2-7-16(13)20-18(12)14/h1-2,4,7-10,12,20-21H,3,5-6,19H2"	C1CC(C2=C(C1)C3=CC=CC=C3N2)C4=CC(=C(C=C4)O)N	VYACWSLTOLRITQ-UHFFFAOYSA-N
DG58500	"2-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-5-phenyl-1,3,4-oxadiazole"	396632	"879585-26-9; 2-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-5-phenyl-1,3,4-oxadiazole; F3223-0004; NSC703131; CHEMBL572415; 2-[(2-methylbenzimidazol-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole; STK869199; ZINC12416224; AKOS002260270; MCULE-1246476217; NSC-703131; NCI60_036863; VU0515786-1; SR-01000918088; SR-01000918088-1; 2-methyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703131	.	.	.	.	290.32	C17H14N4O	56.7	374	3	22	0	4	3	"InChI=1S/C17H14N4O/c1-12-18-14-9-5-6-10-15(14)21(12)11-16-19-20-17(22-16)13-7-3-2-4-8-13/h2-10H,11H2,1H3"	CC1=NC2=CC=CC=C2N1CC3=NN=C(O3)C4=CC=CC=C4	ZYLSQRWTESQSDA-UHFFFAOYSA-N
DG58501	"5-[(2-methyl-1H-1,3-benzodiazol-1-yl)methyl]-1,3,4-oxadiazol-2-amine"	396633	"NSC703132; CHEMBL1975864; AOD100951; NSC-703132; NCI60_036864; 5-[(2-methyl-1H-1,3-benzodiazol-1-yl)methyl]-1,3,4-oxadiazol-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703132	.	.	.	.	229.24	C11H11N5O	82.8	277	1	17	1	5	2	"InChI=1S/C11H11N5O/c1-7-13-8-4-2-3-5-9(8)16(7)6-10-14-15-11(12)17-10/h2-5H,6H2,1H3,(H2,12,15)"	CC1=NC2=CC=CC=C2N1CC3=NN=C(O3)N	VRHRZJXFRDJLHQ-UHFFFAOYSA-N
DG58502	"2-[2-(2-Methylbenzimidazol-1-yl)ethyl]-1,3-benzothiazole"	396634	NSC703133; CHEMBL1984634; NSC-703133; NCI60_036865	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703133	.	.	.	.	293.4	C17H15N3S	59	364	4.2	21	0	3	3	"InChI=1S/C17H15N3S/c1-12-18-13-6-2-4-8-15(13)20(12)11-10-17-19-14-7-3-5-9-16(14)21-17/h2-9H,10-11H2,1H3"	CC1=NC2=CC=CC=C2N1CCC3=NC4=CC=CC=C4S3	BTXKCNHBCFROQF-UHFFFAOYSA-N
DG58503	"(3,5-dimethyl-4H-pyrazol-4-yl)-(2-methyl-3H-benzimidazol-5-yl)diazene"	396639	NSC703138; CHEMBL1966928; NSC-703138; NCI60_036870	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703138	.	.	.	.	254.29	C13H14N6	78.1	422	2.1	19	1	5	2	"InChI=1S/C13H14N6/c1-7-13(8(2)17-16-7)19-18-10-4-5-11-12(6-10)15-9(3)14-11/h4-6,13H,1-3H3,(H,14,15)"	CC1=NN=C(C1N=NC2=CC3=C(C=C2)N=C(N3)C)C	OJIDFSXLVISQLH-UHFFFAOYSA-N
DG58504	"(3,5-dimethyl-1,2-oxazol-4-yl)-(2-methyl-3H-benzimidazol-5-yl)diazene"	396640	NSC703139; CHEMBL1981590; NSC-703139; NCI60_036871	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703139	.	.	.	.	255.28	C13H13N5O	79.4	350	2.9	19	1	5	2	"InChI=1S/C13H13N5O/c1-7-13(8(2)19-18-7)17-16-10-4-5-11-12(6-10)15-9(3)14-11/h4-6H,1-3H3,(H,14,15)"	CC1=C(C(=NO1)C)N=NC2=CC3=C(C=C2)N=C(N3)C	QMZFGPFGLKXBSE-UHFFFAOYSA-N
DG58505	"(5,7-dimethyl-3,6-dihydro-2H-1,4-diazepin-6-yl)-(2-methyl-3H-benzimidazol-5-yl)diazene"	396642	NSC703141; CHEMBL1985066; NSC-703141; NCI60_036873	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703141	.	.	.	.	282.34	C15H18N6	78.1	449	1.6	21	1	5	2	"InChI=1S/C15H18N6/c1-9-15(10(2)17-7-6-16-9)21-20-12-4-5-13-14(8-12)19-11(3)18-13/h4-5,8,15H,6-7H2,1-3H3,(H,18,19)"	CC1=NCCN=C(C1N=NC2=CC3=C(C=C2)N=C(N3)C)C	UOSSUCDWBYDXSX-UHFFFAOYSA-N
DG58506	4-(3-Phenylazoquinoxalin-2-yl)butanoic acid methyl ester	396647	NSC703161; CHEMBL1981120; NSC-703161; NCI60_036878; 4-(3-Phenylazoquinoxalin-2-yl)butanoic acid methyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703161	.	.	.	.	334.4	C19H18N4O2	76.8	451	3.8	25	0	6	7	"InChI=1S/C19H18N4O2/c1-25-18(24)13-7-12-17-19(23-22-14-8-3-2-4-9-14)21-16-11-6-5-10-15(16)20-17/h2-6,8-11H,7,12-13H2,1H3"	COC(=O)CCCC1=NC2=CC=CC=C2N=C1N=NC3=CC=CC=C3	NHCOFAMCMOWFPF-UHFFFAOYSA-N
DG58507	NSC703174	396660	"3-[[4-[4-[[3,5-Bis(morpholin-4-ylmethyl)-2,6-dioxo-1,3,5-triazinan-1-yl]methyl]phenyl]phenyl]methyl]-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione; NSC703174; CHEMBL1964592; NSC-703174; NCI60_036891"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703174	.	.	.	.	804.9	C40H56N10O8	138	1200	0.5	58	0	12	13	"InChI=1S/C40H56N10O8/c51-37-45(27-41-9-17-55-18-10-41)31-46(28-42-11-19-56-20-12-42)38(52)49(37)25-33-1-5-35(6-2-33)36-7-3-34(4-8-36)26-50-39(53)47(29-43-13-21-57-22-14-43)32-48(40(50)54)30-44-15-23-58-24-16-44/h1-8H,9-32H2"	C1COCCN1CN2CN(C(=O)N(C2=O)CC3=CC=C(C=C3)C4=CC=C(C=C4)CN5C(=O)N(CN(C5=O)CN6CCOCC6)CN7CCOCC7)CN8CCOCC8	CXSRLXZSMJIHBO-UHFFFAOYSA-N
DG58508	"2,3-Dimethyl-1,11-dihydro-4-thia-1,10,11-triaza-4H-cyclopent[b]anthracene 4,4-dioxide"	396663	"NSC703177; CHEMBL1974120; NSC-703177; NCI60_036894; 2,3-Dimethyl-1,11-dihydro-4-thia-1,10,11-triaza-4H-cyclopent[b]anthracene 4,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703177	.	.	.	.	299.3	C15H13N3O2S	83.2	518	2.8	21	2	4	0	"InChI=1S/C15H13N3O2S/c1-8-9(2)16-15-13(8)21(19,20)12-7-10-5-3-4-6-11(10)17-14(12)18-15/h3-7,16H,1-2H3,(H,17,18)"	CC1=C(NC2=C1S(=O)(=O)C3=CC4=CC=CC=C4N=C3N2)C	SPXXCNSKYDAMLP-UHFFFAOYSA-N
DG58509	"N-(4,6-Dimethyl-2-pyridyl)-5-bromothiophene-2-carboxamide"	396664	"NSC703178; CHEMBL1996412; NSC-703178; NCI60_036895; N-(4,6-Dimethyl-2-pyridyl)-5-bromothiophene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703178	.	.	.	.	311.2	C12H11BrN2OS	70.2	290	3.8	17	1	3	2	"InChI=1S/C12H11BrN2OS/c1-7-5-8(2)14-11(6-7)15-12(16)9-3-4-10(13)17-9/h3-6H,1-2H3,(H,14,15,16)"	CC1=CC(=NC(=C1)NC(=O)C2=CC=C(S2)Br)C	QMSNSTPCFPEKDI-UHFFFAOYSA-N
DG58510	"N,N'-bis[2-[[4-[hydroxy(methyl)amino]-4-oxo-butanoyl]amino]ethyl]-2-methyl-propanediamide"	396682	"NSC703196; CHEMBL1974487; NSC-703196; NCI60_036902; N,N'-[Methylmalonylbis(iminoethylene)]bis[3-(methylhydroxycarbamoyl)propionamide]; N,N'-bis[2-[[4-[hydroxy(methyl)amino]-4-oxo-butanoyl]amino]ethyl]-2-methyl-propanediamide; N~1~,N~19~-Dihydroxy-N~1~,N~19~,10-trimethyl-4,9,11,16-tetraoxo-5,8,12,15-tetraazanonadecane-1,19-diamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703196	.	.	.	.	460.5	C18H32N6O8	198	630	-4.1	32	6	8	14	"InChI=1S/C18H32N6O8/c1-12(17(29)21-10-8-19-13(25)4-6-15(27)23(2)31)18(30)22-11-9-20-14(26)5-7-16(28)24(3)32/h12,31-32H,4-11H2,1-3H3,(H,19,25)(H,20,26)(H,21,29)(H,22,30)"	CC(C(=O)NCCNC(=O)CCC(=O)N(C)O)C(=O)NCCNC(=O)CCC(=O)N(C)O	MVAQFOOXCOWIJN-UHFFFAOYSA-N
DG58511	"(2s,3r,6s)-2,8-Dibromo-9-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undecan-3-ol"	396684	"Cartilagineol; 185215-99-0; (2s,3r,6s)-2,8-dibromo-9-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undecan-3-ol; CHEMBL1993422; DTXSID00327926; NSC703202; NSC-703202; NCI60_036904; (2S,6S)-1,1,9-Trimethyl-2alpha,8-dibromo-5-methylene-9-chlorospiro[5.5]undecane-3alpha-ol; Spiro[5.5]undecan-3-ol,8-dibromo-9-chloro-1,1,9-trimethyl-5-methylene-,[2S-[2.alpha.,3.alpha.,6.alpha.(8S*,9S*)]]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703202	.	.	.	.	414.6	C15H23Br2ClO	20.2	398	4.7	19	1	1	0	"InChI=1S/C15H23Br2ClO/c1-9-7-10(19)12(17)13(2,3)15(9)6-5-14(4,18)11(16)8-15/h10-12,19H,1,5-8H2,2-4H3/t10-,11 ,12-,14 ,15+/m1/s1"	CC1([C@@H]([C@@H](CC(=C)[C@@]12CCC(C(C2)Br)(C)Cl)O)Br)C	KKDUTGUFMQDATD-LJURCNODSA-N
DG58512	Ma'ilione	396685	"Mailione; Ma'ilione; 185213-74-5; CHEMBL445274; DTXSID60327927; CHEBI:147400; NSC703203; NSC-703203; NCI60_036905; 10-bromo-9-hydroxy-15-nor-1,7(14)-chamigradien-3-one; 8-bromo-9-hydroxy-7,7-dimethyl-11-methylenespiro[5.5]undec-1-en-3-one; Spiro[5.5]undec-1-en-3-one,7-dimethyl-11-methylene-,(8R,9S)-rel-[partial]-; (6S,8S)-7,7-Dimethyl-8alpha-bromo-9alpha-hydroxy-11-methylenespiro[5.5]undeca-1-ene-3-one; (6S,8S,9R)-8-BROMO-9-HYDROXY-7,7-DIMETHYL-11-METHYLIDENESPIRO[5.5]UNDEC-1-EN-3-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703203	.	.	.	.	299.2	C14H19BrO2	37.3	397	2.6	17	1	2	0	"InChI=1S/C14H19BrO2/c1-9-8-11(17)12(15)13(2,3)14(9)6-4-10(16)5-7-14/h4,6,11-12,17H,1,5,7-8H2,2-3H3/t11-,12-,14-/m1/s1"	CC1([C@@H]([C@@H](CC(=C)[C@@]12CCC(=O)C=C2)O)Br)C	ZERRJERBGYWIKI-YRGRVCCFSA-N
DG58513	2-[[Methyl[3-(2-pyridylmethylamino)propyl]amino]methyl]phenol	396692	NSC703226; CHEMBL1999392; NSC-703226; NCI60_036912; 2-[[Methyl[3-(2-pyridylmethylamino)propyl]amino]methyl]phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703226	.	.	.	.	285.4	C17H23N3O	48.4	275	1.8	21	2	4	8	"InChI=1S/C17H23N3O/c1-20(14-15-7-2-3-9-17(15)21)12-6-10-18-13-16-8-4-5-11-19-16/h2-5,7-9,11,18,21H,6,10,12-14H2,1H3"	CN(CCCNCC1=CC=CC=N1)CC2=CC=CC=C2O	QWFGPUPBAJNVBH-UHFFFAOYSA-N
DG58514	4-[bis(2-cyanoethyl)amino]-N-(4-chlorophenyl)imino-N'-phenylbenzenecarboximidamide	396697	NSC703305; CHEMBL1970468; NSC-703305; NCI60_036917	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703305	.	.	.	.	440.9	C25H21ClN6	87.9	689	5.5	32	0	5	9	"InChI=1S/C25H21ClN6/c26-21-10-12-23(13-11-21)30-31-25(29-22-6-2-1-3-7-22)20-8-14-24(15-9-20)32(18-4-16-27)19-5-17-28/h1-3,6-15H,4-5,18-19H2"	C1=CC=C(C=C1)N=C(C2=CC=C(C=C2)N(CCC#N)CCC#N)N=NC3=CC=C(C=C3)Cl	RRGAASHOMFXTJU-UHFFFAOYSA-N
DG58515	4-[bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-phenyliminobenzenecarboximidamide	396698	NSC703306; CHEMBL1984109; NSC-703306; NCI60_036918	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703306	.	.	.	.	424.5	C25H21FN6	87.9	689	5	32	0	6	9	"InChI=1S/C25H21FN6/c26-21-10-12-22(13-11-21)29-25(31-30-23-6-2-1-3-7-23)20-8-14-24(15-9-20)32(18-4-16-27)19-5-17-28/h1-3,6-15H,4-5,18-19H2"	C1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)F)C3=CC=C(C=C3)N(CCC#N)CCC#N	LFANCJKRADTESB-UHFFFAOYSA-N
DG58516	4-[bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-(4-methylphenyl)iminobenzenecarboximidamide	396703	NSC703311; CHEMBL1966232; NSC-703311; NCI60_036923	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703311	.	.	.	.	455	C26H23ClN6	87.9	717	5.9	33	0	5	9	"InChI=1S/C26H23ClN6/c1-20-4-10-24(11-5-20)31-32-26(30-23-12-8-22(27)9-13-23)21-6-14-25(15-7-21)33(18-2-16-28)19-3-17-29/h4-15H,2-3,18-19H2,1H3"	CC1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)N(CCC#N)CCC#N	QRCZJAIWEUGRLQ-UHFFFAOYSA-N
DG58517	4-[bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-(4-methoxyphenyl)iminobenzenecarboximidamide	396704	NSC703312; CHEMBL1970583; NSC-703312; NCI60_036924	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703312	.	.	.	.	471	C26H23ClN6O	97.1	739	5.5	34	0	6	10	"InChI=1S/C26H23ClN6O/c1-34-25-14-10-23(11-15-25)31-32-26(30-22-8-6-21(27)7-9-22)20-4-12-24(13-5-20)33(18-2-16-28)19-3-17-29/h4-15H,2-3,18-19H2,1H3"	COC1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)N(CCC#N)CCC#N	OUFIHLWQGWRMDT-UHFFFAOYSA-N
DG58518	"3-Chloro-6,12-dihydroindolo[2,1-b]quinazoline-6,12-dione"	396706	"NSC703315; CHEMBL1978592; SCHEMBL21379735; NSC-703315; NCI60_036926; 3-Chloro-6,12-dihydroindolo[2,1-b]quinazoline-6,12-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703315	.	.	.	.	282.68	C15H7ClN2O2	49.7	504	2.7	20	0	3	0	InChI=1S/C15H7ClN2O2/c16-8-5-6-9-11(7-8)17-14-13(19)10-3-1-2-4-12(10)18(14)15(9)20/h1-7H	C1=CC=C2C(=C1)C(=O)C3=NC4=C(C=CC(=C4)Cl)C(=O)N23	BZVZEQMQAGMPDX-UHFFFAOYSA-N
DG58519	"6-hydroxy-2-nitro-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one"	396708	NSC703317; CHEMBL1992958; NSC-703317; NCI60_036928	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703317	.	.	.	.	297.26	C15H11N3O4	98.4	494	1.6	22	2	5	0	"InChI=1S/C15H11N3O4/c19-13-9-3-1-2-4-12(9)17-14(13)16-11-6-5-8(18(21)22)7-10(11)15(17)20/h1-7,13-14,16,19H"	C1=CC=C2C(=C1)C(C3N2C(=O)C4=C(N3)C=CC(=C4)[N+](=O)[O-])O	CBCYLHGYMCGJGE-UHFFFAOYSA-N
DG58520	"6-Hydroxy-5,5a-dihydroindolo[2,1-b]quinazoline-12(6H)-one"	396709	"NSC703318; CHEMBL2000664; NSC-703318; NCI60_036929; J3.572.907K; 6-Hydroxy-5,5a-dihydroindolo[2,1-b]quinazoline-12(6H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703318	.	.	.	.	252.27	C15H12N2O2	52.6	386	1.8	19	2	3	0	"InChI=1S/C15H12N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8,13-14,16,18H"	C1=CC=C2C(=C1)C(C3N2C(=O)C4=CC=CC=C4N3)O	JQCPIZLOHIHHFG-UHFFFAOYSA-N
DG58521	"N-(3-bromophenyl)spiro[1,3-dioxolane-2,7'-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine]-4'-amine"	396714	NSC703323; CHEMBL1990638; NSC-703323; NCI60_036934	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703323	.	.	.	.	418.3	C18H16BrN3O2S	84.5	493	4.3	25	1	6	2	"InChI=1S/C18H16BrN3O2S/c19-11-2-1-3-12(8-11)22-16-15-13-4-5-18(23-6-7-24-18)9-14(13)25-17(15)21-10-20-16/h1-3,8,10H,4-7,9H2,(H,20,21,22)"	C1CC2(CC3=C1C4=C(N=CN=C4S3)NC5=CC(=CC=C5)Br)OCCO2	GXJJVTJFJZOXHQ-UHFFFAOYSA-N
DG58522	"4-(3-bromoanilino)-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-7-one"	396715	NSC703324; CHEMBL1995478; NSC-703324; NCI60_036935	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703324	.	.	.	.	374.3	C16H12BrN3OS	83.1	438	3.8	22	1	5	2	"InChI=1S/C16H12BrN3OS/c17-9-2-1-3-10(6-9)20-15-14-12-5-4-11(21)7-13(12)22-16(14)19-8-18-15/h1-3,6,8H,4-5,7H2,(H,18,19,20)"	C1CC2=C(CC1=O)SC3=NC=NC(=C23)NC4=CC(=CC=C4)Br	ZFINZRABKPXRDG-UHFFFAOYSA-N
DG58523	"N-(3-bromophenyl)-7,7-dimethoxy-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-amine"	396717	NSC703326; CHEMBL1988045; NSC-703326; NCI60_036937	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703326	.	.	.	.	420.3	C18H18BrN3O2S	84.5	468	4.5	25	1	6	4	"InChI=1S/C18H18BrN3O2S/c1-23-18(24-2)7-6-13-14(9-18)25-17-15(13)16(20-10-21-17)22-12-5-3-4-11(19)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,20,21,22)"	COC1(CCC2=C(C1)SC3=NC=NC(=C23)NC4=CC(=CC=C4)Br)OC	HAZUKGPGYAIQRQ-UHFFFAOYSA-N
DG58524	"N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-benzothiophene-2-sulfonamide"	396722	NSC703331; CHEMBL1993419; NSC-703331; NCI60_036942	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703331	.	.	.	.	435.9	C18H14ClN3O4S2	127	649	4.7	28	1	8	5	"InChI=1S/C18H14ClN3O4S2/c1-25-13-8-11-12(9-14(13)26-2)20-18(19)21-17(11)22-28(23,24)16-7-10-5-3-4-6-15(10)27-16/h3-9H,1-2H3,(H,20,21,22)"	COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NS(=O)(=O)C3=CC4=CC=CC=C4S3)OC	UZJPZXJCKRHQHE-UHFFFAOYSA-N
DG58525	"2,3-Dimethoxy-8-nitroindolo[2,1-b]quinazoline-6,12-dione"	396724	NSC703333; CHEMBL2005760; NSC-703333; NCI60_036944	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703333	.	.	.	.	353.28	C17H11N3O6	114	674	1.8	26	0	7	2	"InChI=1S/C17H11N3O6/c1-25-13-6-9-11(7-14(13)26-2)18-16-15(21)10-5-8(20(23)24)3-4-12(10)19(16)17(9)22/h3-7H,1-2H3"	COC1=C(C=C2C(=C1)C(=O)N3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)C3=N2)OC	GNQYOFKHSATVEQ-UHFFFAOYSA-N
DG58526	"2-Chloroindolo[2,1-b]quinazoline-6,12-dione"	396725	"2-Chloroindolo[2,1-b]quinazoline-6,12-dione; NSC703334; SCHEMBL9115670; CHEMBL1968617; NSC-703334; NCI60_036945"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703334	.	.	.	.	282.68	C15H7ClN2O2	49.7	504	2.7	20	0	3	0	InChI=1S/C15H7ClN2O2/c16-8-5-6-11-10(7-8)15(20)18-12-4-2-1-3-9(12)13(19)14(18)17-11/h1-7H	C1=CC=C2C(=C1)C(=O)C3=NC4=C(C=C(C=C4)Cl)C(=O)N23	GGZWZZOEBSZAML-UHFFFAOYSA-N
DG58527	"4H-1-Benzopyran-4-one,8-difluoro-7-methyl-,trihydrobromide"	396727	"NSC703357; CHEMBL1985815; NSC-703357; 4H-1-Benzopyran-4-one,8-difluoro-7-methyl-,trihydrobromide; Pentanamide,8-difluoro-7-methyl- 4-oxo-4H-1-benzopyran-2-yl)-2-fluorophenyl]- 5-[(aminoiminomethyl)amino]-, trihydrobromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703357	.	.	.	.	557.4	C22H24BrF3N6O3	172	824	.	35	6	9	7	"InChI=1S/C22H23F3N6O3.BrH/c1-9-17(24)19(27)16-14(32)8-15(34-20(16)18(9)25)10-4-5-13(11(23)7-10)31-21(33)12(26)3-2-6-30-22(28)29;/h4-5,7-8,12H,2-3,6,26-27H2,1H3,(H,31,33)(H4,28,29,30);1H"	CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)NC(=O)C(CCCN=C(N)N)N)F)N)F.Br	HZKGNYOBJKFGRN-UHFFFAOYSA-N
DG58528	"5-Acetyl-1,3-diphenyl-6-(2-pyrrolidin-1-ylethylsulfanyl)-2-sulfanylidenepyrimidin-4-one"	396729	NSC703439; CHEMBL1985474; NSC-703439; NCI60_036948	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703439	.	.	.	.	451.6	C24H25N3O2S2	101	720	4.2	31	0	5	7	"InChI=1S/C24H25N3O2S2/c1-18(28)21-22(29)26(19-10-4-2-5-11-19)24(30)27(20-12-6-3-7-13-20)23(21)31-17-16-25-14-8-9-15-25/h2-7,10-13H,8-9,14-17H2,1H3"	CC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCCC4	VFNYLORIPQNJFK-UHFFFAOYSA-N
DG58529	"5-Acetyl-6-[2-(azepan-1-yl)ethylsulfanyl]-1,3-diphenyl-2-sulfanylidenepyrimidin-4-one"	396730	NSC703440; CHEMBL2001171; NSC-703440; NCI60_036949	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703440	.	.	.	.	479.7	C26H29N3O2S2	101	749	5	33	0	5	7	"InChI=1S/C26H29N3O2S2/c1-20(30)23-24(31)28(21-12-6-4-7-13-21)26(32)29(22-14-8-5-9-15-22)25(23)33-19-18-27-16-10-2-3-11-17-27/h4-9,12-15H,2-3,10-11,16-19H2,1H3"	CC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCCCCC4	UDQDMTQJGNKLHB-UHFFFAOYSA-N
DG58530	"5-Acetyl-6-(2-morpholin-4-ylethylsulfanyl)-1,3-diphenyl-2-sulfanylidenepyrimidin-4-one"	396731	NSC703441; CHEMBL1964575; NSC-703441; NCI60_036950	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703441	.	.	.	.	467.6	C24H25N3O3S2	111	739	3.4	32	0	6	7	"InChI=1S/C24H25N3O3S2/c1-18(28)21-22(29)26(19-8-4-2-5-9-19)24(31)27(20-10-6-3-7-11-20)23(21)32-17-14-25-12-15-30-16-13-25/h2-11H,12-17H2,1H3"	CC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCOCC4	KMLFGRLWEBHUFT-UHFFFAOYSA-N
DG58531	"Ethyl 4-[2-(diethylamino)ethylsulfanyl]-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxylate"	396732	NSC703442; CHEMBL1978017; NSC-703442; NCI60_036951	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703442	.	.	.	.	483.7	C25H29N3O3S2	111	726	5	33	0	6	11	"InChI=1S/C25H29N3O3S2/c1-4-26(5-2)17-18-33-23-21(24(30)31-6-3)22(29)27(19-13-9-7-10-14-19)25(32)28(23)20-15-11-8-12-16-20/h7-16H,4-6,17-18H2,1-3H3"	CCN(CC)CCSC1=C(C(=O)N(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC	JSUPZBWMSLCKBV-UHFFFAOYSA-N
DG58532	"Ethyl 4-oxo-1,3-diphenyl-6-(2-pyrrolidin-1-ylethylsulfanyl)-2-sulfanylidenepyrimidine-5-carboxylate"	396733	"MLS002702461; SMR001566022; NSC703443; cid_396733; CHEMBL1735539; BDBM93512; NSC-703443; ethyl 4-oxo-1,3-diphenyl-6-(2-pyrrolidin-1-ylethylsulfanyl)-2-sulfanylidenepyrimidine-5-carboxylate; NCI60_036952; 4-keto-1,3-diphenyl-6-(2-pyrrolidinoethylthio)-2-thioxo-pyrimidine-5-carboxylic acid ethyl ester; 4-oxo-1,3-diphenyl-6-[2-(1-pyrrolidinyl)ethylthio]-2-sulfanylidene-5-pyrimidinecarboxylic acid ethyl ester; ethyl 4-oxidanylidene-1,3-diphenyl-6-(2-pyrrolidin-1-ylethylsulfanyl)-2-sulfanylidene-pyrimidine-5-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703443	.	.	.	.	481.6	C25H27N3O3S2	111	754	4.8	33	0	6	9	"InChI=1S/C25H27N3O3S2/c1-2-31-24(30)21-22(29)27(19-11-5-3-6-12-19)25(32)28(20-13-7-4-8-14-20)23(21)33-18-17-26-15-9-10-16-26/h3-8,11-14H,2,9-10,15-18H2,1H3"	CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCCC4	DXARGSBGLDYEJZ-UHFFFAOYSA-N
DG58533	"7-[2-(Diethylamino)ethylsulfanyl]-5-imino-1,3,6-triphenylpyrimido[4,5-d]pyrimidine-2,4-dithione"	396734	NSC703444; CHEMBL1996291; NSC-703444; NCI60_036953	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703444	.	.	.	.	570.8	C30H30N6S3	139	971	6.4	39	1	6	9	"InChI=1S/C30H30N6S3/c1-3-33(4-2)20-21-39-29-32-27-25(26(31)34(29)22-14-8-5-9-15-22)28(37)36(24-18-12-7-13-19-24)30(38)35(27)23-16-10-6-11-17-23/h5-19,31H,3-4,20-21H2,1-2H3"	CCN(CC)CCSC1=NC2=C(C(=N)N1C3=CC=CC=C3)C(=S)N(C(=S)N2C4=CC=CC=C4)C5=CC=CC=C5	PNNPNHLEFUOCGE-UHFFFAOYSA-N
DG58534	"5-Imino-1,3,6-triphenyl-7-(2-pyrrolidin-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dithione"	396735	NSC703445; CHEMBL2002194; NSC-703445; NCI60_036954	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703445	.	.	.	.	568.8	C30H28N6S3	139	1000	6.2	39	1	6	7	"InChI=1S/C30H28N6S3/c31-26-25-27(32-29(34(26)22-12-4-1-5-13-22)39-21-20-33-18-10-11-19-33)35(23-14-6-2-7-15-23)30(38)36(28(25)37)24-16-8-3-9-17-24/h1-9,12-17,31H,10-11,18-21H2"	C1CCN(C1)CCSC2=NC3=C(C(=N)N2C4=CC=CC=C4)C(=S)N(C(=S)N3C5=CC=CC=C5)C6=CC=CC=C6	SJVYWFQLQAFMML-UHFFFAOYSA-N
DG58535	"5-Imino-7-(2-morpholin-4-ylethylsulfanyl)-1,3,6-triphenylpyrimido[4,5-d]pyrimidine-2,4-dithione"	396736	NSC703446; CHEMBL1992805; NSC-703446; NCI60_036955	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703446	.	.	.	.	584.8	C30H28N6OS3	148	1020	5.3	40	1	7	7	"InChI=1S/C30H28N6OS3/c31-26-25-27(32-29(34(26)22-10-4-1-5-11-22)40-21-18-33-16-19-37-20-17-33)35(23-12-6-2-7-13-23)30(39)36(28(25)38)24-14-8-3-9-15-24/h1-15,31H,16-21H2"	C1COCCN1CCSC2=NC3=C(C(=N)N2C4=CC=CC=C4)C(=S)N(C(=S)N3C5=CC=CC=C5)C6=CC=CC=C6	BVUCOELPSGTXME-UHFFFAOYSA-N
DG58536	"7-[3-(Dimethylamino)propylsulfanyl]-5-imino-1,3,6-triphenylpyrimido[4,5-d]pyrimidine-2,4-dithione"	396737	NSC703447; CHEMBL1965003; NSC-703447; NCI60_036956	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703447	.	.	.	.	556.8	C29H28N6S3	139	957	6.1	38	1	6	8	"InChI=1S/C29H28N6S3/c1-32(2)19-12-20-38-28-31-26-24(25(30)33(28)21-13-6-3-7-14-21)27(36)35(23-17-10-5-11-18-23)29(37)34(26)22-15-8-4-9-16-22/h3-11,13-18,30H,12,19-20H2,1-2H3"	CN(C)CCCSC1=NC2=C(C(=N)N1C3=CC=CC=C3)C(=S)N(C(=S)N2C4=CC=CC=C4)C5=CC=CC=C5	YJQVXHUAHNHGNJ-UHFFFAOYSA-N
DG58537	"7-[3-(Dimethylamino)-2-methylpropyl]sulfanyl-5-imino-1,3,6-triphenylpyrimido[4,5-d]pyrimidine-2,4-dithione"	396738	NSC703448; CHEMBL1978874; NSC-703448; NCI60_036957	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703448	.	.	.	.	570.8	C30H30N6S3	139	989	6.5	39	1	6	8	"InChI=1S/C30H30N6S3/c1-21(19-33(2)3)20-39-29-32-27-25(26(31)34(29)22-13-7-4-8-14-22)28(37)36(24-17-11-6-12-18-24)30(38)35(27)23-15-9-5-10-16-23/h4-18,21,31H,19-20H2,1-3H3"	CC(CN(C)C)CSC1=NC2=C(C(=N)N1C3=CC=CC=C3)C(=S)N(C(=S)N2C4=CC=CC=C4)C5=CC=CC=C5	DRQIPGIMYLZASW-UHFFFAOYSA-N
DG58538	"5-Imino-1,3,6-triphenyl-7-(3-piperidin-1-ylpropylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dithione"	396739	NSC703449; CHEMBL1993383; NSC-703449; NCI60_036958	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703449	.	.	.	.	596.8	C32H32N6S3	139	1030	6.9	41	1	6	8	"InChI=1S/C32H32N6S3/c33-28-27-29(37(25-16-7-2-8-17-25)32(40)38(30(27)39)26-18-9-3-10-19-26)34-31(36(28)24-14-5-1-6-15-24)41-23-13-22-35-20-11-4-12-21-35/h1-3,5-10,14-19,33H,4,11-13,20-23H2"	C1CCN(CC1)CCCSC2=NC3=C(C(=N)N2C4=CC=CC=C4)C(=S)N(C(=S)N3C5=CC=CC=C5)C6=CC=CC=C6	XXRDVUOSJIQWET-UHFFFAOYSA-N
DG58539	"6-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,5-triphenyl-2-sulfanylidenepyrimidin-4-one"	396742	NSC703452; CHEMBL2006816; NSC-703452; NCI60_036961	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703452	.	.	.	.	513.7	C30H31N3OS2	84.2	773	6.7	36	0	4	7	"InChI=1S/C30H31N3OS2/c34-28-27(24-14-6-3-7-15-24)29(36-23-22-31-20-12-1-2-13-21-31)33(26-18-10-5-11-19-26)30(35)32(28)25-16-8-4-9-17-25/h3-11,14-19H,1-2,12-13,20-23H2"	C1CCCN(CC1)CCSC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5	CJWUANWMBFRMCH-UHFFFAOYSA-N
DG58540	"1,3,5-Triphenyl-6-(3-piperidin-1-ylpropylsulfanyl)-2-sulfanylidenepyrimidin-4-one"	396744	NSC703454; CHEMBL1989584; NSC-703454; NCI60_036963	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703454	.	.	.	.	513.7	C30H31N3OS2	84.2	775	6.7	36	0	4	8	"InChI=1S/C30H31N3OS2/c34-28-27(24-14-5-1-6-15-24)29(36-23-13-22-31-20-11-4-12-21-31)33(26-18-9-3-10-19-26)30(35)32(28)25-16-7-2-8-17-25/h1-3,5-10,14-19H,4,11-13,20-23H2"	C1CCN(CC1)CCCSC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5	ZDLVZQIAJLSXCE-UHFFFAOYSA-N
DG58541	"3-(2,2-Dimethylpropanoyl)-2-sulfanylideneimidazolidine-1-carbaldehyde"	396746	NSC703456; CHEMBL467422; NSC-703456; NCI60_036965	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703456	.	.	.	.	214.29	C9H14N2O2S	72.7	283	1.1	14	0	3	1	"InChI=1S/C9H14N2O2S/c1-9(2,3)7(13)11-5-4-10(6-12)8(11)14/h6H,4-5H2,1-3H3"	CC(C)(C)C(=O)N1CCN(C1=S)C=O	FZNYCIJKBKPCSY-UHFFFAOYSA-N
DG58542	"2-Sulfanylidene-3-(3,4,5-trimethoxybenzoyl)imidazolidine-1-carbaldehyde"	396747	NSC703457; CHEMBL475759; NSC-703457; NCI60_036966	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703457	.	.	.	.	324.35	C14H16N2O5S	100	433	1.3	22	0	6	4	"InChI=1S/C14H16N2O5S/c1-19-10-6-9(7-11(20-2)12(10)21-3)13(18)16-5-4-15(8-17)14(16)22/h6-8H,4-5H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(C2=S)C=O	ZHOKADJQDVHUHF-UHFFFAOYSA-N
DG58543	3-(4-Chlorobenzoyl)-2-thioxoimidazolidine-1-carbaldehyde	396748	NSC703458; CHEMBL1975499; 3-(4-chlorobenzoyl)-2-thioxoimidazolidine-1-carbaldehyde; NSC-703458; 907964-56-1; NCI60_036967	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703458	.	.	.	.	268.72	C11H9ClN2O2S	72.7	342	2	17	0	3	1	"InChI=1S/C11H9ClN2O2S/c12-9-3-1-8(2-4-9)10(16)14-6-5-13(7-15)11(14)17/h1-4,7H,5-6H2"	C1CN(C(=S)N1C=O)C(=O)C2=CC=C(C=C2)Cl	ZMJBTULEWBRIOB-UHFFFAOYSA-N
DG58544	3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidine-1-carbaldehyde	396752	NSC703462; CHEMBL472419; NSC-703462; NCI60_036971	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703462	.	.	.	.	224.24	C9H8N2O3S	85.8	308	0.7	15	0	4	1	"InChI=1S/C9H8N2O3S/c12-6-10-3-4-11(9(10)15)8(13)7-2-1-5-14-7/h1-2,5-6H,3-4H2"	C1CN(C(=S)N1C=O)C(=O)C2=CC=CO2	ALSXZBQWUPXOFR-UHFFFAOYSA-N
DG58545	"[2-Sulfanylidene-3-(3,4,5-trimethoxybenzoyl)imidazolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone"	396753	NSC703463; CHEMBL475004; NSC-703463; NCI60_036972	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703463	.	.	.	.	490.5	C23H26N2O8S	128	654	2.8	34	0	9	8	"InChI=1S/C23H26N2O8S/c1-28-15-9-13(10-16(29-2)19(15)32-5)21(26)24-7-8-25(23(24)34)22(27)14-11-17(30-3)20(33-6)18(12-14)31-4/h9-12H,7-8H2,1-6H3"	COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(C2=S)C(=O)C3=CC(=C(C(=C3)OC)OC)OC	AYIIRPZKKRWVJM-UHFFFAOYSA-N
DG58546	"[3-(3,4-Dichlorobenzoyl)-2-sulfanylideneimidazolidin-1-yl]-(3,4-dichlorophenyl)methanone"	396755	NSC703465; CHEMBL470742; NSC-703465; NCI60_036974	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703465	.	.	.	.	448.1	C17H10Cl4N2O2S	72.7	545	5.5	26	0	3	2	"InChI=1S/C17H10Cl4N2O2S/c18-11-3-1-9(7-13(11)20)15(24)22-5-6-23(17(22)26)16(25)10-2-4-12(19)14(21)8-10/h1-4,7-8H,5-6H2"	C1CN(C(=S)N1C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)C3=CC(=C(C=C3)Cl)Cl	OKNVHTYKIMVAAR-UHFFFAOYSA-N
DG58547	"[3-(3,5-Dichlorobenzoyl)-2-sulfanylideneimidazolidin-1-yl]-(3,5-dichlorophenyl)methanone"	396756	NSC703466; CHEMBL470743; NSC-703466; NCI60_036975	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703466	.	.	.	.	448.1	C17H10Cl4N2O2S	72.7	525	5.5	26	0	3	2	"InChI=1S/C17H10Cl4N2O2S/c18-11-3-9(4-12(19)7-11)15(24)22-1-2-23(17(22)26)16(25)10-5-13(20)8-14(21)6-10/h3-8H,1-2H2"	C1CN(C(=S)N1C(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)C3=CC(=CC(=C3)Cl)Cl	JNQNRDNIVWVCBI-UHFFFAOYSA-N
DG58548	[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]-(furan-2-yl)methanone	396757	MLS002702465; NSC703467; CHEMBL475191; NSC-703467; NCI60_036976; SMR001566026	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703467	.	.	.	.	290.3	C13H10N2O4S	99	404	1.8	20	0	5	2	"InChI=1S/C13H10N2O4S/c16-11(9-3-1-7-18-9)14-5-6-15(13(14)20)12(17)10-4-2-8-19-10/h1-4,7-8H,5-6H2"	C1CN(C(=S)N1C(=O)C2=CC=CO2)C(=O)C3=CC=CO3	NMKBLVSFBWDIQV-UHFFFAOYSA-N
DG58549	[2-Sulfanylidene-3-(thiophene-2-carbonyl)imidazolidin-1-yl]-thiophen-2-ylmethanone	396758	MLS002702466; NSC703468; CHEMBL514658; NSC-703468; NCI60_036977; SMR001566027	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703468	.	.	.	.	322.4	C13H10N2O2S3	129	405	3	20	0	5	2	"InChI=1S/C13H10N2O2S3/c16-11(9-3-1-7-19-9)14-5-6-15(13(14)18)12(17)10-4-2-8-20-10/h1-4,7-8H,5-6H2"	C1CN(C(=S)N1C(=O)C2=CC=CS2)C(=O)C3=CC=CS3	RLPHRVNQGMNXAS-UHFFFAOYSA-N
DG58550	O-(2-phenoxyethyl) N-(4-methoxybenzoyl)-N-phenylcarbamothioate	396759	NSC703469; CHEMBL1989565; NSC-703469; NCI60_036978	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703469	.	.	.	.	407.5	C23H21NO4S	80.1	509	5.4	29	0	5	8	"InChI=1S/C23H21NO4S/c1-26-20-14-12-18(13-15-20)22(25)24(19-8-4-2-5-9-19)23(29)28-17-16-27-21-10-6-3-7-11-21/h2-15H,16-17H2,1H3"	COC1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)C(=S)OCCOC3=CC=CC=C3	AWIMFMHQNLHSQO-UHFFFAOYSA-N
DG58551	O-(2-phenoxyethyl) N-(4-chlorobenzoyl)-N-phenyl-carbamothioate	396760	CHEMBL164011; NSC703470; BDBM50123918; NSC-703470; NCI60_036979; O-(2-Phenoxyethyl) 4-chlorobenzoyl (phenyl)thiocarbamate; O-(2-phenoxyethyl) N-(4-chlorobenzoyl)-N-phenyl-carbamothioate; (4-Chloro-benzoyl)-phenyl-thiocarbamic acid O-(2-phenoxy-ethyl) ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703470	.	.	.	.	411.9	C22H18ClNO3S	70.9	498	6	28	0	4	7	"InChI=1S/C22H18ClNO3S/c23-18-13-11-17(12-14-18)21(25)24(19-7-3-1-4-8-19)22(28)27-16-15-26-20-9-5-2-6-10-20/h1-14H,15-16H2"	C1=CC=C(C=C1)N(C(=O)C2=CC=C(C=C2)Cl)C(=S)OCCOC3=CC=CC=C3	WQZSVPCGCSOLCL-UHFFFAOYSA-N
DG58552	"3a-(difluoromethyl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-ol"	396766	NSC703545; CHEMBL1990066; NSC-703545; NCI60_036985	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703545	.	.	.	.	240.2	C9H14F2O5	68.2	285	0.3	16	2	7	2	"InChI=1S/C9H14F2O5/c1-8(2)15-6-5(13)4(3-12)14-9(6,16-8)7(10)11/h4-7,12-13H,3H2,1-2H3"	CC1(OC2C(C(OC2(O1)C(F)F)CO)O)C	XJISWBRFPIQWMB-UHFFFAOYSA-N
DG58553	"1H-Indole-2-carboxamide,3,5,11a-tetrahydro-7-methoxy-5-oxo-1H-pyrrolo [2,1-c][1,4]benzodiazepin-8-yl]oxy]propyl]-, stereoisomer"	396779	"NSC703558; CHEMBL383105; NSC-703558; NCI60_036998; 1H-Indole-2-carboxamide,3,5,11a-tetrahydro-7-methoxy-5-oxo-1H-pyrrolo [2,1-c][1,4]benzodiazepin-8-yl]oxy]propyl]-, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703558	.	.	.	.	446.5	C25H26N4O4	96	746	2.9	33	2	5	7	"InChI=1S/C25H26N4O4/c1-32-22-13-18-20(27-15-17-7-4-10-29(17)25(18)31)14-23(22)33-11-5-9-26-24(30)21-12-16-6-2-3-8-19(16)28-21/h2-3,6,8,12-15,17,28H,4-5,7,9-11H2,1H3,(H,26,30)/t17-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OCCCNC(=O)C4=CC5=CC=CC=C5N4	BKVDSHOSVMYYSK-KRWDZBQOSA-N
DG58554	"3-[2-[2-(4-Chlorophenyl)-4-oxo-1,3-thiazinan-2-yl]-1-phenylethyl]sulfanylpropanoic acid"	396797	NSC703776; CHEMBL1973101; NSC-703776; NCI60_037027	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703776	.	.	.	.	436	C21H22ClNO3S2	117	536	4	28	2	5	8	"InChI=1S/C21H22ClNO3S2/c22-17-8-6-16(7-9-17)21(23-19(24)10-13-28-21)14-18(27-12-11-20(25)26)15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,23,24)(H,25,26)"	C1CSC(NC1=O)(CC(C2=CC=CC=C2)SCCC(=O)O)C3=CC=C(C=C3)Cl	IERRFVNPGRBDLP-UHFFFAOYSA-N
DG58555	"(2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]propanamide;hydrochloride"	396804	NSC703781; CHEMBL1998504; NSC-703781	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703781	.	.	.	.	347.9	C17H18ClN3OS	96.2	405	.	23	3	4	3	"InChI=1S/C17H17N3OS.ClH/c1-10-9-12(7-8-13(10)19-16(21)11(2)18)17-20-14-5-3-4-6-15(14)22-17;/h3-9,11H,18H2,1-2H3,(H,19,21);1H/t11-;/m0./s1"	CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)[C@H](C)N.Cl	YOXAXSQGEONROX-MERQFXBCSA-N
DG58556	"(2S)-2,6-diamino-N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]hexanamide;hydrochloride"	396808	NSC703783; CHEMBL1971904; NSC-703783	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703783	.	.	.	.	405	C20H25ClN4OS	122	463	.	27	4	5	7	"InChI=1S/C20H24N4OS.ClH/c1-13-12-14(20-24-17-7-2-3-8-18(17)26-20)9-10-16(13)23-19(25)15(22)6-4-5-11-21;/h2-3,7-10,12,15H,4-6,11,21-22H2,1H3,(H,23,25);1H/t15-;/m0./s1"	CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)[C@H](CCCCN)N.Cl	CHXMYMRBHHYBQG-RSAXXLAASA-N
DG58557	"L-Lysinamide,3-benzothiazol-2-yl)phenyl-2-chlorophenyl]-,dihydrochloride"	396810	"NSC703784; CHEMBL1985022; NSC-703784; L-Lysinamide,3-benzothiazol-2-yl)phenyl-2-chlorophenyl]-,dihydrochloride; Hexanamide,6-diamino-N-[4-(1,3-benzothiazol-2-yl)phenyl- 2-chlorophenyl]-, monohydrochloride, (2S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703784	.	.	.	.	425.4	C19H22Cl2N4OS	122	469	.	27	4	5	7	"InChI=1S/C19H21ClN4OS.ClH/c20-13-11-12(19-24-16-6-1-2-7-17(16)26-19)8-9-15(13)23-18(25)14(22)5-3-4-10-21;/h1-2,6-9,11,14H,3-5,10,21-22H2,(H,23,25);1H/t14-;/m0./s1"	C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)NC(=O)[C@H](CCCCN)N)Cl.Cl	LJXYXZRMYDJCDQ-UQKRIMTDSA-N
DG58558	2-(4-Amino-3-methylphenyl)-6-hydroxybenzothiazole	396812	NSC-703785; NSC703785; CHEMBL133564; SCHEMBL11980845; ZINC1655287; NCI60_037036; 2-(4-amino-3-methylphenyl)-6-hydroxybenzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703785	.	.	.	.	256.32	C14H12N2OS	87.4	302	3.4	18	2	4	1	"InChI=1S/C14H12N2OS/c1-8-6-9(2-4-11(8)15)14-16-12-5-3-10(17)7-13(12)18-14/h2-7,17H,15H2,1H3"	CC1=C(C=CC(=C1)C2=NC3=C(S2)C=C(C=C3)O)N	ZVMPPOTVHZXILL-UHFFFAOYSA-N
DG58559	"4-(5-Fluoro-1,3-benzothiazol-2-yl)-2-methylaniline"	396813	"260443-89-8; 5F-203; 4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methylaniline; NSC-703786; 5-Fluoro 203; MLS002702467; UNII-3J3GHW53E4; 3J3GHW53E4; 2-(4-amino-3-methylphenyl)-5-fluorobenzothiazole; Benzenamine, 4-(5-fluoro-2-benzothiazolyl)-2-methyl-; SMR001566028; 4-(5-Fluorobenzo[d]thiazol-2-yl)-2-methylaniline; NSC703786; 4-(5-Fluorobenzothiazol-2-yl)-2-methylphenylamine; CHEMBL286593; cid_396813; SCHEMBL3050082; ZINC8702; 2-(4-Amino-3-methylphenyl)-; BDBM93929; AOB4762; DTXSID80327929; SYN5095; EX-A4819; AKOS009453143; MCULE-5810214378; NSC 703786; AS-16459; NCI60_037037; DS-016740; HY-124421; 5F203; CS-0086441; 5F 203; A899551; 4-(5-fluorobenzo[d]thiazol-2-yl)-2-methyl aniline; 5-fluoro2-(4'-amino-3'-methylphenyl)benzothiazole; Z1649893333; 4-(5-fluoranyl-1,3-benzothiazol-2-yl)-2-methyl-aniline; [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methyl-phenyl]amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703786	.	.	.	.	258.32	C14H11FN2S	67.2	302	3.8	18	1	4	1	"InChI=1S/C14H11FN2S/c1-8-6-9(2-4-11(8)16)14-17-12-7-10(15)3-5-13(12)18-14/h2-7H,16H2,1H3"	CC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)N	IFWLHIIUGSEKKE-UHFFFAOYSA-N
DG58560	"Benzenamine, 4-(2-benzothiazolyl)-2-fluoro-"	396815	"NSC703788; Benzenamine, 4-(2-benzothiazolyl)-2-fluoro-; CHEMBL35221; SCHEMBL4592891; DTXSID90327930; ZINC1655289; AKOS006172672; NSC-703788; 343975-63-3; NCI60_037039"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703788	.	.	.	.	244.29	C13H9FN2S	67.2	276	3.7	17	1	4	1	"InChI=1S/C13H9FN2S/c14-9-7-8(5-6-10(9)15)13-16-11-3-1-2-4-12(11)17-13/h1-7H,15H2"	C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)F	YPMSJWNNIBRQDS-UHFFFAOYSA-N
DG58561	2-[3-(Diethylamino)propionylamino]-4-thiazolecarboxylic acid ethyl ester	396826	NSC703830; CHEMBL1979391; NSC-703830; NCI60_037050; ethyl 2-[3(diethylamino)propanamido]-thiazole-4-carboxylate; 2-[3-(Diethylamino)propionylamino]-4-thiazolecarboxylic acid ethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703830	.	.	.	.	299.39	C13H21N3O3S	99.8	324	1.7	20	1	6	9	"InChI=1S/C13H21N3O3S/c1-4-16(5-2)8-7-11(17)15-13-14-10(9-20-13)12(18)19-6-3/h9H,4-8H2,1-3H3,(H,14,15,17)"	CCN(CC)CCC(=O)NC1=NC(=CS1)C(=O)OCC	OKPSHQGAOFIOJM-UHFFFAOYSA-N
DG58562	2-(2-Piperidinopropionylamino)-4-thiazolecarboxylic acid ethyl ester	396833	NSC703837; CHEMBL2005035; NSC-703837; NCI60_037057; 2-(2-Piperidinopropionylamino)-4-thiazolecarboxylic acid ethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703837	.	.	.	.	311.4	C14H21N3O3S	99.8	375	2.3	21	1	6	6	"InChI=1S/C14H21N3O3S/c1-3-20-13(19)11-9-21-14(15-11)16-12(18)10(2)17-7-5-4-6-8-17/h9-10H,3-8H2,1-2H3,(H,15,16,18)"	CCOC(=O)C1=CSC(=N1)NC(=O)C(C)N2CCCCC2	VSOHQRISZVIYHY-UHFFFAOYSA-N
DG58563	"N,N'-{sulfanediylbis[(2-phenyl-1H-inden-3-yl-1-ylidene)nitrilobenzene-4,1-diyl]}diacetamide"	396836	"NSC703850; CHEMBL2001672; STK092790; NSC-703850; NCI60_037060; N,N'-{sulfanediylbis[(2-phenyl-1H-inden-3-yl-1-ylidene)nitrilobenzene-4,1-diyl]}diacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703850	.	.	.	.	706.9	C46H34N4O2S	108	1340	8.7	53	2	5	8	"InChI=1S/C46H34N4O2S/c1-29(51)47-33-21-25-35(26-22-33)49-43-37-17-9-11-19-39(37)45(41(43)31-13-5-3-6-14-31)53-46-40-20-12-10-18-38(40)44(42(46)32-15-7-4-8-16-32)50-36-27-23-34(24-28-36)48-30(2)52/h3-28H,1-2H3,(H,47,51)(H,48,52)"	CC(=O)NC1=CC=C(C=C1)N=C2C3=CC=CC=C3C(=C2C4=CC=CC=C4)SC5=C(C(=NC6=CC=C(C=C6)NC(=O)C)C7=CC=CC=C75)C8=CC=CC=C8	SIKFBAYEWSLAII-UHFFFAOYSA-N
DG58564	"(6Z)-2,2-Dimethyl-3,4-dihydro-6-(4-methylphenylimino)-2H-naphtho[1,2-b]pyran-5-one"	396837	"NSC703855; CHEMBL309841; SCHEMBL12473069; SCHEMBL18774056; NSC-703855; NCI60_037061; (6Z)-2,2-Dimethyl-3,4-dihydro-6-(4-methylphenylimino)-2H-naphtho[1,2-b]pyran-5-one; 6-(4-Methylphenylimino)-2,2-dimethyl-3,4-dihydro-2H-naphtho[1,2-b]pyran-5(6H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703855	.	.	.	.	331.4	C22H21NO2	38.7	608	4.4	25	0	3	1	"InChI=1S/C22H21NO2/c1-14-8-10-15(11-9-14)23-19-16-6-4-5-7-17(16)21-18(20(19)24)12-13-22(2,3)25-21/h4-11H,12-13H2,1-3H3"	CC1=CC=C(C=C1)N=C2C3=CC=CC=C3C4=C(C2=O)CCC(O4)(C)C	LOLQUHPYGGOUDO-UHFFFAOYSA-N
DG58565	"(6Z)-2,2-Dimethyl-3,4-dihydro-6-(4-nitrophenylimino)-2H-naphtho[1,2-b]pyran-5-one"	396839	"NSC703857; CHEMBL81466; SCHEMBL12473035; NSC-703857; NCI60_037063; (6Z)-2,2-Dimethyl-3,4-dihydro-6-(4-nitrophenylimino)-2H-naphtho[1,2-b]pyran-5-one; 6-(4-Nitrophenylimino)-2,2-dimethyl-3,4-dihydro-2H-naphtho[1,2-b]pyran-5(6H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703857	.	.	.	.	362.4	C21H18N2O4	84.5	696	3.9	27	0	5	1	"InChI=1S/C21H18N2O4/c1-21(2)12-11-17-19(24)18(15-5-3-4-6-16(15)20(17)27-21)22-13-7-9-14(10-8-13)23(25)26/h3-10H,11-12H2,1-2H3"	CC1(CCC2=C(O1)C3=CC=CC=C3C(=NC4=CC=C(C=C4)[N+](=O)[O-])C2=O)C	HBTNQWSZSVKENK-UHFFFAOYSA-N
DG58566	NSC703866	396842	"tert-butyl N-[(2S)-1-[(3S)-3-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]pyrazolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate; NSC703866; NSC-703866; NCI60_037065; (3aR,7abeta)-1-[[(3S)-1-[N-(tert-Butoxycarbonyl)-L-phenylalanyl]pyrazolidin-3-yl]carbonyl]-8,8-dimethylhexahydro-3H-3aalpha,6alpha-methano-2,1-benzisothiazole 2,2-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703866	.	.	.	.	560.7	C28H40N4O6S	134	1110	3.7	39	2	7	7	"InChI=1S/C28H40N4O6S/c1-26(2,3)38-25(35)29-21(15-18-9-7-6-8-10-18)23(33)31-14-12-20(30-31)24(34)32-22-16-19-11-13-28(22,27(19,4)5)17-39(32,36)37/h6-10,19-22,30H,11-17H2,1-5H3,(H,29,35)/t19-,20-,21-,22-,28-/m0/s1"	CC1([C@H]2CC[C@@]13CS(=O)(=O)N([C@H]3C2)C(=O)[C@@H]4CCN(N4)C(=O)[C@H](CC5=CC=CC=C5)NC(=O)OC(C)(C)C)C	OBUKIXLUDSTZRW-IZJCFNCDSA-N
DG58567	NSC703876	396849	"[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acridine-4-carboxylate; NSC703876; CHEMBL1999807; NSC-703876; NCI60_037072"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703876	.	.	.	.	501.6	C34H31NO3	59.4	970	6.7	38	1	4	4	"InChI=1S/C34H31NO3/c1-3-34(37)18-16-29-27-13-11-21-20-24(12-14-25(21)26(27)15-17-33(29,34)2)38-32(36)28-9-6-8-23-19-22-7-4-5-10-30(22)35-31(23)28/h1,4-10,12,14,19-20,26-27,29,37H,11,13,15-18H2,2H3/t26-,27-,29+,33+,34+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC6=CC7=CC=CC=C7N=C65	REFAUOBPLNQGFD-FMEWARDTSA-N
DG58568	"12-Methoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one;hydrochloride"	396850	NSC703878; CHEMBL1970657; NSC-703878	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703878	.	.	.	.	250.68	C12H11ClN2O2	50.4	533	.	17	3	4	1	"InChI=1S/C12H10N2O2.ClH/c1-16-12-9(15)6-7-2-4-13-8-3-5-14-11(12)10(7)8;/h2-6,13-14H,1H3;1H"	COC1=C2C3=C(C=CN2)NC=CC3=CC1=O.Cl	CUVOGYSWQRIPOC-UHFFFAOYSA-N
DG58569	Ethyl 1-(3-chlorophenyl)-4-morpholin-4-yl-6-oxopyrimidine-5-carboxylate	396885	NSC703912; CHEMBL1972546; NSC-703912; NCI60_037107	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703912	.	.	.	.	363.8	C17H18ClN3O4	71.4	586	2	25	0	6	5	"InChI=1S/C17H18ClN3O4/c1-2-25-17(23)14-15(20-6-8-24-9-7-20)19-11-21(16(14)22)13-5-3-4-12(18)10-13/h3-5,10-11H,2,6-9H2,1H3"	CCOC(=O)C1=C(N=CN(C1=O)C2=CC(=CC=C2)Cl)N3CCOCC3	DZSQUCMEFOQRRN-UHFFFAOYSA-N
DG58570	1-(Benzenesulfonyl)-2-[1-(benzenesulfonyl)-3-methylindol-2-yl]-3-methylindole	396901	NSC704080; SCHEMBL7192965; CHEMBL1992157; NSC-704080; NCI60_037116	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704080	.	.	.	.	540.7	C30H24N2O4S2	94.9	955	7	38	0	4	5	"InChI=1S/C30H24N2O4S2/c1-21-25-17-9-11-19-27(25)31(37(33,34)23-13-5-3-6-14-23)29(21)30-22(2)26-18-10-12-20-28(26)32(30)38(35,36)24-15-7-4-8-16-24/h3-20H,1-2H3"	CC1=C(N(C2=CC=CC=C12)S(=O)(=O)C3=CC=CC=C3)C4=C(C5=CC=CC=C5N4S(=O)(=O)C6=CC=CC=C6)C	SVIILRQJTFIQNY-UHFFFAOYSA-N
DG58571	"1-[(3aS,6S)-6-methyl-2,3,3a,4-tetrahydrothieno[3,4-b]pyrrol-6-yl]-2-methylpropan-1-one"	396910	NSC704089; CHEMBL1975805; NSC-704089; NCI60_037125	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704089	.	.	.	.	211.33	C11H17NOS	54.7	298	1.7	14	0	3	2	"InChI=1S/C11H17NOS/c1-7(2)10(13)11(3)9-8(6-14-11)4-5-12-9/h7-8H,4-6H2,1-3H3/t8-,11+/m1/s1"	CC(C)C(=O)[C@@]1(C2=NCC[C@@H]2CS1)C	WMJIQBYLSJFXNR-KCJUWKMLSA-N
DG58572	NSC704104	396923	"6,7,16,17-Tetramethyl-5,11,15-trithia-1,3,10,13-tetrazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-2,4(8),6,12,14(18),16-hexaene-9,19-dione; NSC704104; CHEMBL1965737; CCG-15422; NSC-704104; NCI60_037136; SR-01000397180; SR-01000397180-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704104	.	.	.	.	388.5	C16H12N4O2S3	147	741	3.9	25	0	7	0	InChI=1S/C16H12N4O2S3/c1-5-7(3)24-12-9(5)13(21)19-15-17-11-10(6(2)8(4)23-11)14(22)20(15)25-16(19)18-12/h1-4H3	CC1=C(SC2=C1C(=O)N3C(=N2)N4C(=O)C5=C(N=C4S3)SC(=C5C)C)C	UQVUCGVTIAUCEI-UHFFFAOYSA-N
DG58573	NSC704105	396924	"11,15,25-Trithia-2,13,16,27-tetrazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),4(12),5(10),13,18(26),19(24)-hexaene-3,17-dione; NSC704105; CHEMBL1980219; NSC-704105; NCI60_037137"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704105	.	.	.	.	440.6	C20H16N4O2S3	147	863	4.8	29	0	7	0	InChI=1S/C20H16N4O2S3/c25-17-13-9-5-1-3-7-11(9)28-16(13)22-20-23(17)19-21-15-14(18(26)24(19)29-20)10-6-2-4-8-12(10)27-15/h1-8H2	C1CCC2=C(C1)C3=C(S2)N=C4N5C(=O)C6=C(N=C5SN4C3=O)SC7=C6CCCC7	QQOXZYOZLNABPP-UHFFFAOYSA-N
DG58574	(2S)-2-[[4-[[6-(Ureidocarbonyl)-2-pyridinyl]methylamino]benzoyl]amino]pentanedioic acid	396927	NSC704108; CHEMBL1973047; NSC-704108; NCI60_037140; (2S)-2-[[4-[[6-(Ureidocarbonyl)-2-pyridinyl]methylamino]benzoyl]amino]pentanedioic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704108	.	.	.	.	443.4	C20H21N5O7	201	709	0.5	32	6	9	10	"InChI=1S/C20H21N5O7/c21-20(32)25-18(29)14-3-1-2-13(23-14)10-22-12-6-4-11(5-7-12)17(28)24-15(19(30)31)8-9-16(26)27/h1-7,15,22H,8-10H2,(H,24,28)(H,26,27)(H,30,31)(H3,21,25,29,32)/t15-/m0/s1"	C1=CC(=NC(=C1)C(=O)NC(=O)N)CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)O	POYZJQVSNARVFS-HNNXBMFYSA-N
DG58575	"6-Amino-5,6-dihydrocyclopenta[c]thiophen-4-one;hydrochloride"	396928	NSC704113; CHEMBL1967793; NSC-704113	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704113	.	.	.	.	189.66	C7H8ClNOS	71.3	171	.	11	2	3	0	"InChI=1S/C7H7NOS.ClH/c8-6-1-7(9)5-3-10-2-4(5)6;/h2-3,6H,1,8H2;1H"	C1C(C2=CSC=C2C1=O)N.Cl	ZTOOYUNAZBRXAL-UHFFFAOYSA-N
DG58576	"4H-Cyclopenta[c]thiophen-4-one,6-dihydro-, hydrochloride"	396931	"NSC704115; CHEMBL1994888; NSC-704115; 4H-Cyclopenta[c]thiophen-4-one,6-dihydro-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704115	.	.	.	.	224.11	C7H7Cl2NOS	71.3	199	.	12	2	3	0	"InChI=1S/C7H6ClNOS.ClH/c8-7-6-3(2-11-7)5(10)1-4(6)9;/h2,4H,1,9H2;1H"	C1C(C2=C(SC=C2C1=O)Cl)N.Cl	JTQKEKROKUEZIX-UHFFFAOYSA-N
DG58577	"1,3-Diiodocyclopenta[c]thiophen-4-one"	396934	NSC704117; CHEMBL1967338; NSC-704117; NCI60_037145	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704117	.	.	.	.	387.97	C7H2I2OS	45.3	229	3	11	0	2	0	InChI=1S/C7H2I2OS/c8-6-3-1-2-4(10)5(3)7(9)11-6/h1-2H	C1=CC(=O)C2=C(SC(=C21)I)I	QGAHUYYADXDHEL-UHFFFAOYSA-N
DG58578	"6-(Benzylamino)-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one"	396937	NSC704119; CHEMBL1994785; NSC-704119; NCI60_037147	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704119	.	.	.	.	312.2	C14H11Cl2NOS	57.3	348	3.9	19	1	3	3	"InChI=1S/C14H11Cl2NOS/c15-13-11-9(6-10(18)12(11)14(16)19-13)17-7-8-4-2-1-3-5-8/h1-5,9,17H,6-7H2"	C1C(C2=C(SC(=C2C1=O)Cl)Cl)NCC3=CC=CC=C3	JEAQIQHZRSZYRC-UHFFFAOYSA-N
DG58579	"6-Anilino-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one"	396939	NSC704121; CHEMBL2007317; NSC-704121; NCI60_037149	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704121	.	.	.	.	298.2	C13H9Cl2NOS	57.3	335	4.5	18	1	3	2	"InChI=1S/C13H9Cl2NOS/c14-12-10-8(16-7-4-2-1-3-5-7)6-9(17)11(10)13(15)18-12/h1-5,8,16H,6H2"	C1C(C2=C(SC(=C2C1=O)Cl)Cl)NC3=CC=CC=C3	ZPAAZSXHNMXTIS-UHFFFAOYSA-N
DG58580	"1,3,4alpha,6alpha-Tetrachloro-5,6-dihydro-4H-cyclopenta[c]thiophene"	396940	"CHEMBL1995051; NSC704122; NSC-704122; NCI60_037150; 1,3,4alpha,6alpha-Tetrachloro-5,6-dihydro-4H-cyclopenta[c]thiophene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704122	.	.	.	.	262	C7H4Cl4S	28.2	170	4.5	12	0	1	0	"InChI=1S/C7H4Cl4S/c8-2-1-3(9)5-4(2)6(10)12-7(5)11/h2-3H,1H2/t2-,3+"	C1[C@H](C2=C(SC(=C2[C@H]1Cl)Cl)Cl)Cl	FRIOLWQFTWFURX-WSOKHJQSSA-N
DG58581	"1,3,4-trichloro-5,6-dihydro-4H-cyclopenta[c]thiophen-6-amine;hydrochloride"	396943	NSC704125; CHEMBL1973203; NSC-704125	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704125	.	.	.	.	279	C7H7Cl4NS	54.3	192	.	13	2	2	0	"InChI=1S/C7H6Cl3NS.ClH/c8-2-1-3(11)5-4(2)6(9)12-7(5)10;/h2-3H,1,11H2;1H"	C1C(C2=C(SC(=C2C1Cl)Cl)Cl)N.Cl	PJEAJIWIJDDBMP-UHFFFAOYSA-N
DG58582	"1,3-dichloro-5,6-dihydro-4H-cyclopenta[c]thiophene-4,6-diol"	396946	"NSC704127; 1,3-dichloro-5,6-dihydro-4H-cyclopenta[c]thiophene-4,6-diol; CHEMBL1979809; NSC-704127; 474654-88-1; NCI60_037155; 4h-cyclopenta[c]thiophene-4,6-diol,1,3-dichloro-5,6-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704127	.	.	.	.	225.09	C7H6Cl2O2S	68.7	174	2	12	2	3	0	"InChI=1S/C7H6Cl2O2S/c8-6-4-2(10)1-3(11)5(4)7(9)12-6/h2-3,10-11H,1H2"	C1C(C2=C(SC(=C2C1O)Cl)Cl)O	NLWVTMQFKGCHHN-UHFFFAOYSA-N
DG58583	Ikesweoghpmerw-wsokhjqssa-	396947	"NSC704128; CHEMBL1978983; IKESWEOGHPMERW-WSOKHJQSSA-; NSC-704128; NCI60_037156; 1,3,4alpha,6alpha-Tetrabromo-5,6-dihydro-4H-cyclopenta[c]thiophene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704128	.	.	.	.	439.79	C7H4Br4S	28.2	170	5	12	0	1	0	"InChI=1S/C7H4Br4S/c8-2-1-3(9)5-4(2)6(10)12-7(5)11/h2-3H,1H2/t2-,3+"	C1[C@H](C2=C(SC(=C2[C@H]1Br)Br)Br)Br	IKESWEOGHPMERW-WSOKHJQSSA-N
DG58584	"1,3,6-Trichloro-5,6-dihydrocyclopenta[c]thiophen-4-one"	396949	NSC704130; CHEMBL1998561; NSC-704130; NCI60_037158	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704130	.	.	.	.	241.5	C7H3Cl3OS	45.3	223	3.4	12	0	2	0	"InChI=1S/C7H3Cl3OS/c8-2-1-3(11)5-4(2)6(9)12-7(5)10/h2H,1H2"	C1C(C2=C(SC(=C2C1=O)Cl)Cl)Cl	HQIUNWVVIXWUNN-UHFFFAOYSA-N
DG58585	"2-Amino-5-[[5-amino-3,4-dicyano-1-(4-fluorophenyl)pyrrol-2-yl]disulfanyl]-1-(4-fluorophenyl)pyrrole-3,4-dicarbonitrile"	396951	NSC704171; CHEMBL1984480; NSC-704171; NCI60_037160	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704171	.	.	.	.	514.5	C24H12F2N8S2	208	913	5	36	2	10	5	"InChI=1S/C24H12F2N8S2/c25-13-1-5-15(6-2-13)33-21(31)17(9-27)19(11-29)23(33)35-36-24-20(12-30)18(10-28)22(32)34(24)16-7-3-14(26)4-8-16/h1-8H,31-32H2"	C1=CC(=CC=C1N2C(=C(C(=C2SSC3=C(C(=C(N3C4=CC=C(C=C4)F)N)C#N)C#N)C#N)C#N)N)F	YQJSZUDAVNUNRT-UHFFFAOYSA-N
DG58586	"2-Amino-5-[(5-amino-3,4-dicyano-1-naphthalen-1-ylpyrrol-2-yl)disulfanyl]-1-naphthalen-1-ylpyrrole-3,4-dicarbonitrile"	396952	NSC704172; CHEMBL1975470; NSC-704172; NCI60_037161	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704172	.	.	.	.	578.7	C32H18N8S2	208	1100	7.3	42	2	8	5	"InChI=1S/C32H18N8S2/c33-15-23-25(17-35)31(39(29(23)37)27-13-5-9-19-7-1-3-11-21(19)27)41-42-32-26(18-36)24(16-34)30(38)40(32)28-14-6-10-20-8-2-4-12-22(20)28/h1-14H,37-38H2"	C1=CC=C2C(=C1)C=CC=C2N3C(=C(C(=C3SSC4=C(C(=C(N4C5=CC=CC6=CC=CC=C65)N)C#N)C#N)C#N)C#N)N	UPNIFNIOQOKMKL-UHFFFAOYSA-N
DG58587	"N1,N3-diphenyl-2-thioxo-imidazolidine-1,3-dicarboxamide"	396957	"NSC704177; CHEMBL2005476; NSC-704177; NCI60_037166; N1,N3-diphenyl-2-thioxo-imidazolidine-1,3-dicarboxamide; N~1~,N~3~-Diphenyl-2-thioxo-1,3-imidazolidinedicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704177	.	.	.	.	340.4	C17H16N4O2S	96.8	445	2.4	24	2	3	2	"InChI=1S/C17H16N4O2S/c22-15(18-13-7-3-1-4-8-13)20-11-12-21(17(20)24)16(23)19-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,22)(H,19,23)"	C1CN(C(=S)N1C(=O)NC2=CC=CC=C2)C(=O)NC3=CC=CC=C3	JBLAPKBPRXDCIF-UHFFFAOYSA-N
DG58588	N-((3-Benzoyl-2-thioxo-1-imidazolidinyl)carbothioyl)-N-phenylbenzamide	396960	NSC704180; CHEMBL2006056; NSC-704180; NCI60_037169; N-((3-Benzoyl-2-thioxo-1-imidazolidinyl)carbothioyl)-N-phenylbenzamide; N-(3-benzoyl-2-thioxo-imidazolidine-1-carbothioyl)-N-phenyl-benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704180	.	.	.	.	445.6	C24H19N3O2S2	108	695	4.9	31	0	4	3	"InChI=1S/C24H19N3O2S2/c28-21(18-10-4-1-5-11-18)25-16-17-26(23(25)30)24(31)27(20-14-8-3-9-15-20)22(29)19-12-6-2-7-13-19/h1-15H,16-17H2"	C1CN(C(=S)N1C(=O)C2=CC=CC=C2)C(=S)N(C3=CC=CC=C3)C(=O)C4=CC=CC=C4	WZBTWOFKZNYBSD-UHFFFAOYSA-N
DG58589	"tert-butyl N-[1-(benzenesulfonyl)-3-methyl-7-phenylmethoxy-3a,7a-dihydroindol-5-yl]-N-prop-2-enylcarbamate"	396963	NSC704200; CHEMBL2004753; NSC-704200; NCI60_037172	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704200	.	.	.	.	534.7	C30H34N2O5S	84.5	1070	4.8	38	0	6	10	"InChI=1S/C30H34N2O5S/c1-6-17-31(29(33)37-30(3,4)5)24-18-26-22(2)20-32(38(34,35)25-15-11-8-12-16-25)28(26)27(19-24)36-21-23-13-9-7-10-14-23/h6-16,18-20,26,28H,1,17,21H2,2-5H3"	CC1=CN(C2C1C=C(C=C2OCC3=CC=CC=C3)N(CC=C)C(=O)OC(C)(C)C)S(=O)(=O)C4=CC=CC=C4	NUGGQTOZGJKVJS-UHFFFAOYSA-N
DG58590	1-(Benzenesulfonyl)-3-methyl-5-nitro-7-phenylmethoxyindole	396968	NSC704205; CHEMBL1989285; NSC-704205; NCI60_037177	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704205	.	.	.	.	422.5	C22H18N2O5S	103	691	4.9	30	0	5	5	"InChI=1S/C22H18N2O5S/c1-16-14-23(30(27,28)19-10-6-3-7-11-19)22-20(16)12-18(24(25)26)13-21(22)29-15-17-8-4-2-5-9-17/h2-14H,15H2,1H3"	CC1=CN(C2=C1C=C(C=C2OCC3=CC=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4	GHUZHMBTWSSKMB-UHFFFAOYSA-N
DG58591	"Methanesulfonamide, N-[3-methyl-7-(phenylmethoxy)-1-(phenylsulfonyl)-1H-indol-5-yl]-"	396976	"NSC704213; CHEMBL1990281; NSC-704213; NCI60_037185; Methanesulfonamide, N-[3-methyl-7-(phenylmethoxy)-1-(phenylsulfonyl)- 1H-indol-5-yl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704213	.	.	.	.	470.6	C23H22N2O5S2	111	823	4	32	1	6	7	"InChI=1S/C23H22N2O5S2/c1-17-15-25(32(28,29)20-11-7-4-8-12-20)23-21(17)13-19(24-31(2,26)27)14-22(23)30-16-18-9-5-3-6-10-18/h3-15,24H,16H2,1-2H3"	CC1=CN(C2=C1C=C(C=C2OCC3=CC=CC=C3)NS(=O)(=O)C)S(=O)(=O)C4=CC=CC=C4	QCTIOGQIHRSREV-UHFFFAOYSA-N
DG58592	ethyl 7-methoxy-3-methyl-5-[methylsulfonyl(prop-2-enyl)amino]-4-nitro-1H-indole-2-carboxylate	396977	NSC704214; CHEMBL1991013; NSC-704214; NCI60_037186	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704214	.	.	.	.	411.4	C17H21N3O7S	143	703	2.6	28	1	8	8	"InChI=1S/C17H21N3O7S/c1-6-8-19(28(5,24)25)11-9-12(26-4)15-13(16(11)20(22)23)10(3)14(18-15)17(21)27-7-2/h6,9,18H,1,7-8H2,2-5H3"	CCOC(=O)C1=C(C2=C(C(=CC(=C2N1)OC)N(CC=C)S(=O)(=O)C)[N+](=O)[O-])C	HRJYYHQVAQXJIM-UHFFFAOYSA-N
DG58593	N-[3-methyl-4-nitro-1-(4-nitrophenyl)sulfonyl-7-phenylmethoxyindol-5-yl]-N-prop-2-enylmethanesulfonamide	396978	NSC704215; CHEMBL2003335; NSC-704215; NCI60_037187	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704215	.	.	.	.	600.6	C26H24N4O9S2	194	1160	4.5	41	0	10	9	"InChI=1S/C26H24N4O9S2/c1-4-14-27(40(3,35)36)22-15-23(39-17-19-8-6-5-7-9-19)26-24(25(22)30(33)34)18(2)16-28(26)41(37,38)21-12-10-20(11-13-21)29(31)32/h4-13,15-16H,1,14,17H2,2-3H3"	CC1=CN(C2=C(C=C(C(=C12)[N+](=O)[O-])N(CC=C)S(=O)(=O)C)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]	DORAZGZDLINUQM-UHFFFAOYSA-N
DG58594	"N-[2-[[1-(benzenesulfonyl)-3-methyl-7-phenylmethoxyindol-5-yl]-prop-2-enylamino]-2-oxoethyl]-2,2,2-trifluoroacetamide"	396979	NSC704216; CHEMBL1999954; NSC-704216; NCI60_037188	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704216	.	.	.	.	585.6	C29H26F3N3O5S	106	1020	5.5	41	1	8	10	"InChI=1S/C29H26F3N3O5S/c1-3-14-34(26(36)17-33-28(37)29(30,31)32)22-15-24-20(2)18-35(41(38,39)23-12-8-5-9-13-23)27(24)25(16-22)40-19-21-10-6-4-7-11-21/h3-13,15-16,18H,1,14,17,19H2,2H3,(H,33,37)"	CC1=CN(C2=C1C=C(C=C2OCC3=CC=CC=C3)N(CC=C)C(=O)CNC(=O)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4	PHNZAHBPMCTNQK-UHFFFAOYSA-N
DG58595	Benzyl 7-[1-(benzenesulfonyl)indol-2-yl]-5-methoxy-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate	396981	NSC704218; CHEMBL1980650; NSC-704218; NCI60_037190	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704218	.	.	.	.	528.6	C30H28N2O5S	86.2	981	5.1	38	0	5	7	"InChI=1S/C30H28N2O5S/c1-36-29-18-27-25(16-23(29)19-31(27)30(33)37-20-21-10-4-2-5-11-21)28-17-22-12-8-9-15-26(22)32(28)38(34,35)24-13-6-3-7-14-24/h2-15,17-18,23,25,27H,16,19-20H2,1H3"	COC1=CC2C(CC1CN2C(=O)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N4S(=O)(=O)C6=CC=CC=C6	BBTHMRUKEOAQAM-UHFFFAOYSA-N
DG58596	methyl (6R)-2-acetyl-6-[1-(benzenesulfonyl)indol-2-yl]-8-oxo-2-azabicyclo[2.2.2]octane-6-carboxylate	396982	NSC704219; CHEMBL1989463; NSC-704219; NCI60_037191	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704219	.	.	.	.	480.5	C25H24N2O6S	111	955	2.1	34	0	6	5	"InChI=1S/C25H24N2O6S/c1-16(28)26-15-18-14-25(24(30)33-2,22(26)13-21(18)29)23-12-17-8-6-7-11-20(17)27(23)34(31,32)19-9-4-3-5-10-19/h3-12,18,22H,13-15H2,1-2H3/t18 ,22 ,25-/m1/s1"	CC(=O)N1CC2C[C@@](C1CC2=O)(C3=CC4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5)C(=O)OC	CCBTYXINQAJPRZ-WWYLULBNSA-N
DG58597	NSC704221	396984	"methyl (1R)-3-(benzenesulfonyl)-11-(bromomethyl)-3,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8,15-pentaene-1-carboxylate; NSC704221; CHEMBL1973273; NSC-704221; NCI60_037194"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704221	.	.	.	.	527.4	C25H23BrN2O4S	77	929	4	33	0	5	5	"InChI=1S/C25H23BrN2O4S/c1-32-24(29)25-13-16-11-12-21(25)27(15-16)20(14-26)22-18-9-5-6-10-19(18)28(23(22)25)33(30,31)17-7-3-2-4-8-17/h2-12,16,20-21H,13-15H2,1H3/t16 ,20 ,21 ,25-/m1/s1"	COC(=O)[C@]12CC3CN(C1C=C3)C(C4=C2N(C5=CC=CC=C54)S(=O)(=O)C6=CC=CC=C6)CBr	RQHNOSGKFUILKG-SPXNYKIGSA-N
DG58598	"Methanone, [4-[2-[bis(3-aminopropyl)amino]ethyl]-1-imidazolyl]-phenyl-"	396988	"NSC704225; CHEMBL1986062; NSC-704225; NCI60_037198; 1, N-(3-aminopropyl)-N-[2-(1-benzoyl-1H-imidazol-4-yl)ethyl]-; Methanone, [4-[2-[bis(3-aminopropyl)amino]ethyl]-1-imidazolyl]-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704225	.	.	.	.	329.4	C18H27N5O	90.2	351	0.7	24	2	5	10	"InChI=1S/C18H27N5O/c19-9-4-11-22(12-5-10-20)13-8-17-14-23(15-21-17)18(24)16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13,19-20H2"	C1=CC=C(C=C1)C(=O)N2C=C(N=C2)CCN(CCCN)CCCN	YDXXNGYHCSSFQE-UHFFFAOYSA-N
DG58599	"8,18-Diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),12,14,16-tetraen-2-one"	396994	NSC704231; CHEMBL1972232; NSC-704231; NCI60_037204	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704231	.	.	.	.	254.33	C16H18N2O	36.1	370	3.1	19	1	2	0	"InChI=1S/C16H18N2O/c19-16-14-7-3-4-9-18(14)10-8-12-11-5-1-2-6-13(11)17-15(12)16/h1-2,5-6,14,17H,3-4,7-10H2"	C1CCN2CCC3=C(C(=O)C2C1)NC4=CC=CC=C34	IKUMTQZGVXFFFC-UHFFFAOYSA-N
DG58600	methyl (6R)-6-[1-(benzenesulfonyl)indol-2-yl]-2-azabicyclo[2.2.2]octane-6-carboxylate	397001	NSC704238; CHEMBL1993587; NSC-704238; NCI60_037211	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704238	.	.	.	.	424.5	C23H24N2O4S	85.8	760	3.4	30	1	5	5	"InChI=1S/C23H24N2O4S/c1-29-22(26)23(14-16-11-12-20(23)24-15-16)21-13-17-7-5-6-10-19(17)25(21)30(27,28)18-8-3-2-4-9-18/h2-10,13,16,20,24H,11-12,14-15H2,1H3/t16 ,20 ,23-/m1/s1"	COC(=O)[C@@]1(CC2CCC1NC2)C3=CC4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5	LIRHMVXWHZMETN-XXLUKPGQSA-N
DG58601	NSC704239	397002	"8-O-benzyl 11-O-methyl (11R)-11-[1-(benzenesulfonyl)indol-2-yl]-4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.2.02,6]undecane-8,11-dicarboxylate; NSC704239; CHEMBL2094018; NSC-704239; NCI60_037212"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704239	.	.	.	.	630.7	C34H34N2O8S	122	1220	4.9	45	0	8	8	"InChI=1S/C34H34N2O8S/c1-33(2)43-28-24-19-34(31(37)41-3,30(29(28)44-33)35(20-24)32(38)42-21-22-12-6-4-7-13-22)27-18-23-14-10-11-17-26(23)36(27)45(39,40)25-15-8-5-9-16-25/h4-18,24,28-30H,19-21H2,1-3H3/t24 ,28 ,29 ,30 ,34-/m0/s1"	CC1(OC2C3C[C@@](C(C2O1)N(C3)C(=O)OCC4=CC=CC=C4)(C5=CC6=CC=CC=C6N5S(=O)(=O)C7=CC=CC=C7)C(=O)OC)C	GYXGOEFTIQHOKG-KZIMYOLGSA-N
DG58602	"methyl (6R)-2-[2-(benzenesulfonyl)prop-2-enyl]-6-(1H-indol-2-yl)-7,8-dimethoxy-2-azabicyclo[2.2.2]octane-6-carboxylate"	397004	NSC704241; CHEMBL2374540; NSC-704241; NCI60_037214	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704241	.	.	.	.	524.6	C28H32N2O6S	106	960	3.1	37	1	7	9	"InChI=1S/C28H32N2O6S/c1-18(37(32,33)21-11-6-5-7-12-21)16-30-17-20-15-28(27(31)36-4,26(30)25(35-3)24(20)34-2)23-14-19-10-8-9-13-22(19)29-23/h5-14,20,24-26,29H,1,15-17H2,2-4H3/t20 ,24 ,25 ,26 ,28-/m0/s1"	COC1C2C[C@@](C(C1OC)N(C2)CC(=C)S(=O)(=O)C3=CC=CC=C3)(C4=CC5=CC=CC=C5N4)C(=O)OC	XGDXQGUYPMJHTG-JCWAUGAVSA-N
DG58603	3-(2-aminoethyl)-6-methoxy-1H-indole-2-carboxylic acid	397008	3-(2-aminoethyl)-6-methoxy-1H-indole-2-carboxylic acid; NSC704244; CHEMBL1995138; ZINC337791; 6-methoxytryptamine-2-carboxylic acid; NSC-704244; 20731-72-0; NCI60_037217	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704244	.	.	.	.	234.25	C12H14N2O3	88.3	285	-1.1	17	3	4	4	"InChI=1S/C12H14N2O3/c1-17-7-2-3-8-9(4-5-13)11(12(15)16)14-10(8)6-7/h2-3,6,14H,4-5,13H2,1H3,(H,15,16)"	COC1=CC2=C(C=C1)C(=C(N2)C(=O)O)CCN	BMXXBEUPHOWECR-UHFFFAOYSA-N
DG58604	2-(4-Amino-3-methylphenyl)-7-hydroxybenzothiazole	397016	NSC704278; CHEMBL341189; NSC-704278; NCI60_037220; 2-(3-Methyl-4-aminophenyl)benzothiazole-7-ol; 2-(4-amino-3-methylphenyl)-7-hydroxybenzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704278	.	.	.	.	256.32	C14H12N2OS	87.4	302	3.4	18	2	4	1	"InChI=1S/C14H12N2OS/c1-8-7-9(5-6-10(8)15)14-16-11-3-2-4-12(17)13(11)18-14/h2-7,17H,15H2,1H3"	CC1=C(C=CC(=C1)C2=NC3=C(S2)C(=CC=C3)O)N	OFRNVFFXBRJWDZ-UHFFFAOYSA-N
DG58605	"4-(1,4-Dioxobenzo[a]carbazol-11-yl)benzonitrile"	397017	NSC704280; CHEMBL1970696; NSC-704280; NCI60_037221	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704280	.	.	.	.	348.4	C23H12N2O2	62.9	711	4.2	27	0	3	1	InChI=1S/C23H12N2O2/c24-13-14-5-7-15(8-6-14)25-19-4-2-1-3-16(19)17-9-10-18-20(26)11-12-21(27)22(18)23(17)25/h1-12H	C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C#N)C5=C(C=C3)C(=O)C=CC5=O	XQIFDSULHRNKHC-UHFFFAOYSA-N
DG58606	"11-(4-Benzoylphenyl)benzo[a]carbazole-1,4-dione"	397018	NSC704281; CHEMBL2000400; NSC-704281; NCI60_037222	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704281	.	.	.	.	427.4	C29H17NO3	56.1	819	5.9	33	0	3	3	InChI=1S/C29H17NO3/c31-25-16-17-26(32)27-23(25)15-14-22-21-8-4-5-9-24(21)30(28(22)27)20-12-10-19(11-13-20)29(33)18-6-2-1-3-7-18/h1-17H	C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)C(=O)C=CC6=O	RJQNGGVSKXKZSI-UHFFFAOYSA-N
DG58607	"11-[4-(4-Methoxybenzoyl)phenyl]benzo[a]carbazole-1,4-dione"	397019	NSC704282; CHEMBL1985178; NSC-704282; NCI60_037223	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704282	.	.	.	.	457.5	C30H19NO4	65.4	866	5.8	35	0	4	4	"InChI=1S/C30H19NO4/c1-35-21-12-8-19(9-13-21)30(34)18-6-10-20(11-7-18)31-25-5-3-2-4-22(25)23-14-15-24-26(32)16-17-27(33)28(24)29(23)31/h2-17H,1H3"	COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)C(=O)C=CC6=O	MMZJFQHTOSWBHM-UHFFFAOYSA-N
DG58608	"2-Methyl-4-nitro-3a,4,9a,9b-tetrahydrobenzo[g][1]benzofuran-6,9-dione"	397021	NSC704284; CHEMBL1975922; NSC-704284; NCI60_037225	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704284	.	.	.	.	261.23	C13H11NO5	89.2	580	0.7	19	0	5	0	"InChI=1S/C13H11NO5/c1-6-4-7-9(14(17)18)5-8-10(15)2-3-11(16)12(8)13(7)19-6/h2-5,7,9,12-13H,1H3"	CC1=CC2C(C=C3C(C2O1)C(=O)C=CC3=O)[N+](=O)[O-]	XGENLEJKGKDUAR-UHFFFAOYSA-N
DG58609	"4-Nitronaphtho[1,2-b]furan-6,9-dione"	397022	"NSC704285; CHEMBL1978401; NSC-704285; 4-Nitronaphtho[1,2-b]furan-6,9-dione; NCI60_037226"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704285	.	.	.	.	243.17	C12H5NO5	93.1	452	1.7	18	0	5	0	InChI=1S/C12H5NO5/c14-9-1-2-10(15)11-7(9)5-8(13(16)17)6-3-4-18-12(6)11/h1-5H	C1=CC(=O)C2=C3C(=C(C=C2C1=O)[N+](=O)[O-])C=CO3	PGOOVXRVHCAUKQ-UHFFFAOYSA-N
DG58610	"2-Methyl-4-nitronaphtho[1,2-b]furan-6,9-dione"	397023	"NSC704286; CHEMBL1991926; NSC-704286; NCI60_037227; 2-Methyl-4-nitronaphtho[1,2-b]furan-6,9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704286	.	.	.	.	257.2	C13H7NO5	93.1	480	2.1	19	0	5	0	"InChI=1S/C13H7NO5/c1-6-4-7-9(14(17)18)5-8-10(15)2-3-11(16)12(8)13(7)19-6/h2-5H,1H3"	CC1=CC2=C(C=C3C(=O)C=CC(=O)C3=C2O1)[N+](=O)[O-]	ORYBZICTAIDZBY-UHFFFAOYSA-N
DG58611	"N-(2-Thiazolyl)-7-chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxamide 4,4-dioxide"	397030	"NSC704312; CHEMBL136352; NSC-704312; NCI60_037231; N-(2-Thiazolyl)-7-chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxamide 4,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704312	.	.	.	.	398.9	C13H7ClN4O3S3	156	616	2.5	24	1	7	2	"InChI=1S/C13H7ClN4O3S3/c14-8-6-9-10(24(20,21)18-3-1-16-13(18)23-9)5-7(8)11(19)17-12-15-2-4-22-12/h1-6H,(H,15,17,19)"	C1=CN2C(=N1)SC3=C(S2(=O)=O)C=C(C(=C3)Cl)C(=O)NC4=NC=CS4	APVGKIMMMFQLHM-UHFFFAOYSA-N
DG58612	"N-(2,1,3-benzothiadiazol-4-yl)-8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide"	397031	"MLS002702472; NSC704313; CHEMBL137722; NSC-704313; NCI60_037232; SMR001566033; N-(2,1,3-Benzothiadiazole-4-yl)-7-chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxamide 4,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704313	.	.	.	.	449.9	C16H8ClN5O3S3	169	738	3.1	28	1	8	2	"InChI=1S/C16H8ClN5O3S3/c17-9-7-12-13(28(24,25)22-5-4-18-16(22)26-12)6-8(9)15(23)19-10-2-1-3-11-14(10)21-27-20-11/h1-7H,(H,19,23)"	C1=CC2=NSN=C2C(=C1)NC(=O)C3=CC4=C(C=C3Cl)SC5=NC=CN5S4(=O)=O	NYRIXOYDRXFNGO-UHFFFAOYSA-N
DG58613	"(7-Chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxylic acid 2-methyl-8-quinolyl)4,4-dioxide"	397032	"NSC704314; CHEMBL1974447; NSC-704314; NCI60_037233; (7-Chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxylic acid 2-methyl-8-quinolyl)4,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704314	.	.	.	.	457.9	C20H12ClN3O4S2	125	779	4.4	30	0	7	3	"InChI=1S/C20H12ClN3O4S2/c1-11-5-6-12-3-2-4-15(18(12)23-11)28-19(25)13-9-17-16(10-14(13)21)29-20-22-7-8-24(20)30(17,26)27/h2-10H,1H3"	CC1=NC2=C(C=CC=C2OC(=O)C3=CC4=C(C=C3Cl)SC5=NC=CN5S4(=O)=O)C=C1	PBLMHZGUFVOFID-UHFFFAOYSA-N
DG58614	NSC704315	397033	"2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-3-oxopropanenitrile; NSC704315; CHEMBL1966562; NSC-704315; NCI60_037234"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704315	.	.	.	.	544	C21H18ClN9O3S2	207	1090	2.2	36	1	12	4	"InChI=1S/C21H18ClN9O3S2/c1-10-8-21(2,3)31(29-10)19-27-17(26-18(24)28-19)12(9-23)16(32)11-6-15-14(7-13(11)22)35-20-25-4-5-30(20)36(15,33)34/h4-7,12H,8H2,1-3H3,(H2,24,26,27,28)"	CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(C#N)C(=O)C3=CC4=C(C=C3Cl)SC5=NC=CN5S4(=O)=O	WDMGOZATLXAKQR-UHFFFAOYSA-N
DG58615	"2-Chloro-4-mercapto-5-(((6-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl)amino)sulfonyl)-N-phenylbenzamide"	397048	"NSC704330; CHEMBL1965016; NSC-704330; NCI60_037241; 2-Chloro-4-mercapto-5-(((6-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl)amino)sulfonyl)-N-phenylbenzamide; 2-chloro-5-[(6-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfamoyl]-N-phenyl-4-sulfanyl-benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704330	.	.	.	.	439.9	C17H18ClN5O3S2	121	693	2	28	5	6	5	"InChI=1S/C17H18ClN5O3S2/c1-10-9-19-17(22-21-10)23-28(25,26)15-7-12(13(18)8-14(15)27)16(24)20-11-5-3-2-4-6-11/h2-8,10,21,27H,9H2,1H3,(H,20,24)(H2,19,22,23)"	CC1CN=C(NN1)NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=CC=C3)Cl)S	SDBSNALROIGUQP-UHFFFAOYSA-N
DG58616	"4-chloro-N-(6-chloro-4-phenyl-3,4-dihydroquinazolin-2-yl)-5-methyl-2-sulfanyl-benzenesulfonamide"	397059	"NSC704341; CHEMBL1973935; NSC-704341; NCI60_037252; 4-chloro-n-(6-chloro-4-phenyl-3,4-dihydroquinazolin-2-yl)-5-methyl-2-mercaptobenzesulfonamide; 4-chloro-N-(6-chloro-4-phenyl-3,4-dihydroquinazolin-2-yl)-5-methyl-2-sulfanyl-benzenesulfonamide; N-(3,4-Dihydro-6-chloro-4-phenylquinazoline-2-yl)-2-mercapto-4-chloro-5-methylbenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704341	.	.	.	.	478.4	C21H17Cl2N3O2S2	79.9	739	5.2	30	3	4	4	"InChI=1S/C21H17Cl2N3O2S2/c1-12-9-19(18(29)11-16(12)23)30(27,28)26-21-24-17-8-7-14(22)10-15(17)20(25-21)13-5-3-2-4-6-13/h2-11,20,29H,1H3,(H2,24,25,26)"	CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC(C3=C(N2)C=CC(=C3)Cl)C4=CC=CC=C4	UWGCENJWPDTUFD-UHFFFAOYSA-N
DG58617	NSC704343	397061	"2-chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)phenyl]disulfanyl]-N-(4-chlorophenyl)-5-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)benzamide; NSC704343; CHEMBL1965583; NSC-704343; 2-chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)phenyl]disulfanyl]-N-(4-chlorophenyl)-5-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)benzamide; NCI60_037254; [2-Chloro-4-({5-chloro-4-[N-(4-chlorophenyl)carbamoyl]-2-[(imidazolo[4,5-b]pyridin-2-ylamino)sulfonyl]phenyl}disulfanyl)-5-[(imidazolo[4,5-b]pyridin-2-ylamino)sulfonyl]phenyl]-N-(4-chlorophenyl)carboxamide; 2-chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-(3H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)phenyl]disulfanyl]-N-(4-chlorophenyl)-5-(3H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)benzamide; Benzamide, 4,4'-dithiobis[2-chloro-N-(4-chlorophenyl)-5-[(3H-imidazo[4,5-b]pyridin-2-ylamino)sulfonyl]-; N,N'-Bis(1H-imidazo[4,5-b]pyridine-2-yl)[2,2'-dithiobis[4-chloro-5-[(4-chlorophenylamino)carbonyl]benzenesulfonamide]]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704343	.	.	.	.	986.7	C38H24Cl4N10O6S4	301	1650	7.6	62	6	14	13	"InChI=1S/C38H24Cl4N10O6S4/c39-19-5-9-21(10-6-19)45-35(53)23-15-31(61(55,56)51-37-47-27-3-1-13-43-33(27)49-37)29(17-25(23)41)59-60-30-18-26(42)24(36(54)46-22-11-7-20(40)8-12-22)16-32(30)62(57,58)52-38-48-28-4-2-14-44-34(28)50-38/h1-18H,(H,45,53)(H,46,54)(H2,43,47,49,51)(H2,44,48,50,52)"	C1=CC2=C(N=C1)N=C(N2)NS(=O)(=O)C3=C(C=C(C(=C3)C(=O)NC4=CC=C(C=C4)Cl)Cl)SSC5=C(C=C(C(=C5)Cl)C(=O)NC6=CC=C(C=C6)Cl)S(=O)(=O)NC7=NC8=C(N7)C=CC=N8	AQKVAUVEIYEQLE-UHFFFAOYSA-N
DG58618	"2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-[(2-oxo-1,3-dihydroindol-3-yl)methylsulfanyl]propan-2-yl]amino]-5-oxopentanoic acid"	397066	NSC704373; CHEMBL1984820; NSC-704373; NCI60_037260	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704373	.	.	.	.	452.5	C19H24N4O7S	213	705	-3.6	31	6	9	12	"InChI=1S/C19H24N4O7S/c20-12(19(29)30)5-6-15(24)22-14(18(28)21-7-16(25)26)9-31-8-11-10-3-1-2-4-13(10)23-17(11)27/h1-4,11-12,14H,5-9,20H2,(H,21,28)(H,22,24)(H,23,27)(H,25,26)(H,29,30)"	C1=CC=C2C(=C1)C(C(=O)N2)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N	AZDHDZUSCHPULG-UHFFFAOYSA-N
DG58619	"2H-1-Benzopyran-2-one,3,4-thiadiazol-2-yl)-"	397074	"NSC704387; CHEMBL1984234; NSC-704387; NCI60_037268; 2H-1-Benzopyran-2-one,3,4-thiadiazol-2-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704387	.	.	.	.	306.3	C17H10N2O2S	80.3	462	3.7	22	0	5	2	InChI=1S/C17H10N2O2S/c20-17-13(10-12-8-4-5-9-14(12)21-17)16-19-18-15(22-16)11-6-2-1-3-7-11/h1-10H	C1=CC=C(C=C1)C2=NN=C(S2)C3=CC4=CC=CC=C4OC3=O	NWITZPQNPPJOKT-UHFFFAOYSA-N
DG58620	"3-Imidazo[1,2-a]pyridin-2-ylchromen-2-one"	397075	"MLS000711808; 3-imidazo[1,2-a]pyridin-2-ylchromen-2-one; 3-(imidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one; SMR000281575; NSC704388; TimTec1_008492; Oprea1_707270; Oprea1_800543; cid_397075; CHEMBL1311094; BDBM43122; HMS1558I15; HMS2655A20; ZINC325063; STK821530; AKOS001028483; MCULE-1098617949; NSC-704388; 3-imidazo[1,2-a]pyridin-2-ylcoumarin; NCGC00317765-01; NCI60_037269; 2-(3-coumarinyl)-imidazo[1,2-a]pyridine; EU-0001470; J3.598.701K; AB00124723-07; AB00124723-10; 3-imidazo[1,2-a]pyridin-2-yl-2H-chromen-2-one; SR-01000400215; SR-01000400215-1; 3-(2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-one; 2-(2H-1-Benzopyran-2-one-3-yl)imidazo[1,2-a] pyridine; 3-(Imidazo[1,2-a]pyridine-2-yl)-2H-1-benzopyran-2-one; 157985-56-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704388	.	.	.	.	262.26	C16H10N2O2	43.6	434	3.4	20	0	3	1	InChI=1S/C16H10N2O2/c19-16-12(9-11-5-1-2-6-14(11)20-16)13-10-18-8-4-3-7-15(18)17-13/h1-10H	C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=CC=CC4=N3	IXPDWKSPNLAKQU-UHFFFAOYSA-N
DG58621	"3-(1,3-Benzoxazol-2-yl)-6-methoxy-2H-chromen-2-one"	397078	"3-(1,3-Benzoxazol-2-yl)-6-methoxy-2H-chromen-2-one; NSC704391; Oprea1_166324; Oprea1_185385; MLS000549016; CHEMBL1305924; HMS2381J08; ZINC193157; STK372674; AKOS003635217; CCG-342518; MCULE-5498908142; NSC-704391; NCI60_037270; SMR000114371; Coumarin, 3-(2-benzoxazolyl)-6-methoxy-; SR-01000400247; SR-01000400247-1; 3-(1,3-Benzoxazol-2-yl)-6-methoxy-2H-chromen-2-one #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704391	.	.	.	.	293.27	C17H11NO4	61.6	477	3.4	22	0	5	2	"InChI=1S/C17H11NO4/c1-20-11-6-7-14-10(8-11)9-12(17(19)22-14)16-18-13-4-2-3-5-15(13)21-16/h2-9H,1H3"	COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NC4=CC=CC=C4O3	SWJHDCRRCWPBSX-UHFFFAOYSA-N
DG58622	2-imino-8-methoxy-N-(pyridin-2-yl)-2H-chromene-3-carboxamide	397080	2-imino-8-methoxy-N-(pyridin-2-yl)-2H-chromene-3-carboxamide; 2-imino-8-methoxy-N-pyridin-2-yl-2H-chromene-3-carboxamide; NSC704393; CHEMBL2007035; ZINC5582853; HTS028333; MFCD18203705; STL086347; AKOS005640127; MCULE-8224648813; NSC-704393; NCI60_037271; 907966-37-4	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704393	.	.	.	.	295.29	C16H13N3O3	84.3	477	2.3	22	2	5	3	"InChI=1S/C16H13N3O3/c1-21-12-6-4-5-10-9-11(15(17)22-14(10)12)16(20)19-13-7-2-3-8-18-13/h2-9,17H,1H3,(H,18,19,20)"	COC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NC3=CC=CC=N3	OYGPEBVFSFOCTJ-UHFFFAOYSA-N
DG58623	"2H-1-Benzopyran-3-carboxamide, 2-imino-N-(2-thiazolyl)-"	397084	"NSC704397; CHEMBL1988316; ZINC5518149; STL085377; AKOS005714600; MCULE-4553226166; NSC-704397; NCI60_037273; 2-imino-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide; 2H-1-Benzopyran-3-carboxamide, 2-imino-N-(2-thiazolyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704397	.	.	.	.	271.3	C13H9N3O2S	103	424	2.4	19	2	5	2	"InChI=1S/C13H9N3O2S/c14-11-9(12(17)16-13-15-5-6-19-13)7-8-3-1-2-4-10(8)18-11/h1-7,14H,(H,15,16,17)"	C1=CC=C2C(=C1)C=C(C(=N)O2)C(=O)NC3=NC=CS3	JBEDGVHCWKYLCO-UHFFFAOYSA-N
DG58624	"2H-1-Benzopyran-3-carboxamide, 2-imino-N-(1-adamantyl)-"	397086	"NSC704399; CHEMBL1976214; NSC-704399; NCI60_037274; 2H-1-Benzopyran-3-carboxamide,7)]dec-1-yl)-; 2H-1-Benzopyran-3-carboxamide, 2-imino-N-(1-adamantyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704399	.	.	.	.	322.4	C20H22N2O2	62.2	568	4.2	24	2	3	2	"InChI=1S/C20H22N2O2/c21-18-16(8-15-3-1-2-4-17(15)24-18)19(23)22-20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,8,12-14,21H,5-7,9-11H2,(H,22,23)"	C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC5=CC=CC=C5OC4=N	UNUQVOHZVLVWRT-UHFFFAOYSA-N
DG58625	N-(1-adamantyl)-2-imino-8-methoxychromene-3-carboxamide	397089	NSC704402; CHEMBL1991581; NSC-704402; NCI60_037275	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704402	.	.	.	.	352.4	C21H24N2O3	71.4	614	4.1	26	2	4	3	"InChI=1S/C21H24N2O3/c1-25-17-4-2-3-15-8-16(19(22)26-18(15)17)20(24)23-21-9-12-5-13(10-21)7-14(6-12)11-21/h2-4,8,12-14,22H,5-7,9-11H2,1H3,(H,23,24)"	COC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4	XFAVPASSTZVDQD-UHFFFAOYSA-N
DG58626	"6,8-dichloro-2-imino-N-naphthalen-1-ylchromene-3-carboxamide"	397095	NSC704408; CHEMBL1977210; NSC-704408; NCI60_037277	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704408	.	.	.	.	383.2	C20H12Cl2N2O2	62.2	609	5.5	26	2	3	2	"InChI=1S/C20H12Cl2N2O2/c21-13-8-12-9-15(19(23)26-18(12)16(22)10-13)20(25)24-17-7-3-5-11-4-1-2-6-14(11)17/h1-10,23H,(H,24,25)"	C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC4=CC(=CC(=C4OC3=N)Cl)Cl	XBTKQJBBYVNKFQ-UHFFFAOYSA-N
DG58627	(2Z)-7-(diethylamino)-2-[(4-fluorophenyl)imino]-2H-chromene-3-carboxamide	397122	(2Z)-7-(diethylamino)-2-[(4-fluorophenyl)imino]-2H-chromene-3-carboxamide; 313668-76-7; 7-(diethylamino)-2-(4-fluorophenyl)iminochromene-3-carboxamide; NSC704435; ChemDiv3_000672; Oprea1_298034; CHEMBL2000399; HMS1474O12; ZINC1193554; MCULE-2461009871; NSC-704435; NCGC00172634-01; NCI60_037284; BRD-K94046037-001-01-0	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704435	.	.	.	.	353.4	C20H20FN3O2	67.9	565	3.8	26	1	5	5	"InChI=1S/C20H20FN3O2/c1-3-24(4-2)16-10-5-13-11-17(19(22)25)20(26-18(13)12-16)23-15-8-6-14(21)7-9-15/h5-12H,3-4H2,1-2H3,(H2,22,25)"	CCN(CC)C1=CC2=C(C=C1)C=C(C(=NC3=CC=C(C=C3)F)O2)C(=O)N	OVSZUDCBTWIXMG-UHFFFAOYSA-N
DG58628	NSC704533	397134	"[3-[[5-(4-Amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate; NSC704533; CHEMBL1965590; NSC-704533; NCI60_037286"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704533	.	.	.	.	673.4	C21H30FN5O15P2	279	1320	-4.8	44	6	16	14	"InChI=1S/C21H30FN5O15P2/c22-13-6-27(21(32)25-19(13)30)18-5-14(29)15(42-18)10-40-44(35,36)38-8-11(28)7-37-43(33,34)39-9-12-1-2-17(41-12)26-4-3-16(23)24-20(26)31/h3-4,6,11-12,14-15,17-18,28-29H,1-2,5,7-10H2,(H,33,34)(H,35,36)(H2,23,24,31)(H,25,30,32)"	C1CC(OC1COP(=O)(O)OCC(COP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)F)O)O)N4C=CC(=NC4=O)N	FEPYIZPOIUKDNC-UHFFFAOYSA-N
DG58629	"N-[(1S)-1-[[(4-Methylphenyl)sulfinyl]methyl]-2,2,3,3,3-pentafluoropropyl]-4-methoxyaniline"	397136	"NSC704535; CHEMBL1982113; NSC-704535; NCI60_037288; N-[(1S)-1-[[(4-Methylphenyl)sulfinyl]methyl]-2,2,3,3,3-pentafluoropropyl]-4-methoxyaniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704535	.	.	.	.	407.4	C18H18F5NO2S	57.5	487	5.4	27	1	9	7	"InChI=1S/C18H18F5NO2S/c1-12-3-9-15(10-4-12)27(25)11-16(17(19,20)18(21,22)23)24-13-5-7-14(26-2)8-6-13/h3-10,16,24H,11H2,1-2H3/t16-,27 /m1/s1"	CC1=CC=C(C=C1)S(=O)C[C@H](C(C(F)(F)F)(F)F)NC2=CC=C(C=C2)OC	BPPDYHUPUMBTGN-DKEDTHNGSA-N
DG58630	N-[(1S)-1-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylethyl]-4-methoxyaniline	397137	NSC704536; CHEMBL1969262; NSC-704536; NCI60_037289	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704536	.	.	.	.	383.5	C22H22FNO2S	57.5	453	5.2	27	1	5	7	"InChI=1S/C22H22FNO2S/c1-16-3-13-21(14-4-16)27(25)15-22(17-5-7-18(23)8-6-17)24-19-9-11-20(26-2)12-10-19/h3-14,22,24H,15H2,1-2H3/t22-,27 /m1/s1"	CC1=CC=C(C=C1)S(=O)C[C@H](C2=CC=C(C=C2)F)NC3=CC=C(C=C3)OC	GBHLBMDMLCXEIW-XVPAFAEQSA-N
DG58631	N-[(1S)-1-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylethyl]-4-methoxyaniline	397138	NSC704537; CHEMBL1984786; NSC-704537; NCI60_037290	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704537	.	.	.	.	367.5	C22H22FNOS	46.6	386	6.1	26	1	4	7	"InChI=1S/C22H22FNOS/c1-16-3-13-21(14-4-16)26-15-22(17-5-7-18(23)8-6-17)24-19-9-11-20(25-2)12-10-19/h3-14,22,24H,15H2,1-2H3/t22-/m1/s1"	CC1=CC=C(C=C1)SC[C@H](C2=CC=C(C=C2)F)NC3=CC=C(C=C3)OC	JLODQHZVECBJCT-JOCHJYFZSA-N
DG58632	"2-Cyano-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide"	397144	"NSC704543; CHEMBL478678; NSC-704543; NCI60_037296; 2-Cyano-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide; 1,4-Dioxido de 3-(4-(4-nitrofenil)-1-piperazinil)-2-quinoxalinacarbonitrilo; 3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704543	.	.	.	.	392.4	C19H16N6O4	123	740	1.8	29	0	8	2	"InChI=1S/C19H16N6O4/c20-13-18-19(24(27)17-4-2-1-3-16(17)23(18)26)22-11-9-21(10-12-22)14-5-7-15(8-6-14)25(28)29/h1-8H,9-12H2"	C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N(C4=CC=CC=C4[N+]3=O)[O-])C#N	HXTKFGFYTMCGAJ-UHFFFAOYSA-N
DG58633	"2-Cyano-7-chloro-6-methoxy-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide"	397145	"NSC704544; CHEMBL1993578; NSC-704544; NCI60_037297; 2-Cyano-7-chloro-6-methoxy-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide; 1,4-Dioxido de 7-chloro-6-methoxy-3-(4-(4-nitrofenil)-1-piperazinil)-2-quinoxalinacarbonitrilo; 7-chloro-6-methoxy-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704544	.	.	.	.	456.8	C20H17ClN6O5	132	824	2.4	32	0	9	3	"InChI=1S/C20H17ClN6O5/c1-32-19-11-17-16(10-15(19)21)25(28)18(12-22)20(26(17)29)24-8-6-23(7-9-24)13-2-4-14(5-3-13)27(30)31/h2-5,10-11H,6-9H2,1H3"	COC1=C(C=C2C(=C1)[N+](=O)C(=C(N2[O-])C#N)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])Cl	ZUEOLSYSLNXOMR-UHFFFAOYSA-N
DG58634	"2-Cyano-7-methoxy-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide"	397146	"NSC704545; CHEMBL1983429; NSC-704545; NCI60_037298; 1,4-Dioxido de 7-methoxy-3-(4-(4-nitrofenil)-1-piperazinil)-2-quinoxalinacarbonitrilo; 2-Cyano-7-methoxy-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide; 7-methoxy-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704545	.	.	.	.	422.4	C20H18N6O5	132	788	1.8	31	0	9	3	"InChI=1S/C20H18N6O5/c1-31-16-6-7-17-18(12-16)24(27)19(13-21)20(25(17)28)23-10-8-22(9-11-23)14-2-4-15(5-3-14)26(29)30/h2-7,12H,8-11H2,1H3"	COC1=CC2=C(C=C1)[N+](=O)C(=C(N2[O-])C#N)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]	OROONQAAYQLBOY-UHFFFAOYSA-N
DG58635	"1,3-Dichloro-6-imidazol-1-yl-5,6-dihydrocyclopenta[c]thiophen-4-one"	397151	NSC704552; CHEMBL2003230; NSC-704552; NCI60_037303	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704552	.	.	.	.	273.14	C10H6Cl2N2OS	63.1	317	2.7	16	0	3	1	"InChI=1S/C10H6Cl2N2OS/c11-9-7-5(14-2-1-13-4-14)3-6(15)8(7)10(12)16-9/h1-2,4-5H,3H2"	C1C(C2=C(SC(=C2C1=O)Cl)Cl)N3C=CN=C3	DIFJNXNEBVTNKA-UHFFFAOYSA-N
DG58636	"1,3,6-Tribromocyclopenta[c]thiophen-4-one"	397155	NSC704556; CHEMBL2005410; NSC-704556; NCI60_037307	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704556	.	.	.	.	372.86	C7HBr3OS	45.3	265	4.1	12	0	2	0	InChI=1S/C7HBr3OS/c8-2-1-3(11)5-4(2)6(9)12-7(5)10/h1H	C1=C(C2=C(SC(=C2C1=O)Br)Br)Br	GMPZNLGMGBOGRJ-UHFFFAOYSA-N
DG58637	NSC704557	397156	"1,3-Dibromo-6-[3-[(1,3-dibromo-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)amino]propylamino]-5,6-dihydrocyclopenta[c]thiophen-4-one; NSC704557; CHEMBL1995446; NSC-704557; NCI60_037308"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704557	.	.	.	.	662.1	C17H14Br4N2O2S2	115	566	5.2	27	2	6	6	"InChI=1S/C17H14Br4N2O2S2/c18-14-10-6(4-8(24)12(10)16(20)26-14)22-2-1-3-23-7-5-9(25)13-11(7)15(19)27-17(13)21/h6-7,22-23H,1-5H2"	C1C(C2=C(SC(=C2C1=O)Br)Br)NCCCNC3CC(=O)C4=C(SC(=C34)Br)Br	XJPIHZDMMXEDHA-UHFFFAOYSA-N
DG58638	NSC704561	397158	"3,5,10,12,15,17,22,24,27,29,34,36-Dodecabutyl-7,8,19,20,31,32-hexathia-3,5,10,12,15,17,22,24,27,29,34,36-dodecazaheptacyclo[31.3.0.02,6.09,13.014,18.021,25.026,30]hexatriaconta-1(33),2(6),9(13),14(18),21(25),26(30)-hexaene-4,11,16,23,28,35-hexathione; NSC704561; CHEMBL1984079; NSC-704561; NCI60_037312"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704561	.	.	.	.	1454.5	C66H108N12S12	383	2260	16.6	90	0	12	36	"InChI=1S/C66H108N12S12/c1-13-25-37-67-49-50-56(74(44-32-20-8)62(80)68(50)38-26-14-2)86-88-58-53(71(41-29-17-5)64(82)76(58)46-34-22-10)54-60(78(48-36-24-12)66(84)72(54)42-30-18-6)90-89-59-52(70(40-28-16-4)65(83)77(59)47-35-23-11)51-57(87-85-55(49)73(61(67)79)43-31-19-7)75(45-33-21-9)63(81)69(51)39-27-15-3/h13-48H2,1-12H3"	CCCCN1C2=C(N(C1=S)CCCC)SSC3=C(C4=C(N(C(=S)N4CCCC)CCCC)SSC5=C(C6=C(N(C(=S)N6CCCC)CCCC)SSC7=C2N(C(=S)N7CCCC)CCCC)N(C(=S)N5CCCC)CCCC)N(C(=S)N3CCCC)CCCC	VDULWHKCIXXQDU-UHFFFAOYSA-N
DG58639	NSC704578	397173	"tert-butyl N-[4-[(8S)-2-cyclohexyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate; NSC704578; CHEMBL110299; NSC-704578; NCI60_037329; 3-[4-(tert-Butoxycarbonylamino)butyl]-6-cyclohexyl-1,2,3,4,6,7,12,12aalpha-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704578	.	.	.	.	508.7	C29H40N4O4	104	851	4.8	37	3	4	8	"InChI=1S/C29H40N4O4/c1-29(2,3)37-28(36)30-16-10-9-15-22-27(35)33-23(26(34)32-22)17-20-19-13-7-8-14-21(19)31-24(20)25(33)18-11-5-4-6-12-18/h7-8,13-14,18,22-23,25,31H,4-6,9-12,15-17H2,1-3H3,(H,30,36)(H,32,34)/t22 ,23-,25 /m0/s1"	CC(C)(C)OC(=O)NCCCCC1C(=O)N2[C@@H](CC3=C(C2C4CCCCC4)NC5=CC=CC=C35)C(=O)N1	GRVNDNOOQYQOGD-KJXWVISYSA-N
DG58640	NSC704582	397177	"tert-butyl N-[4-[(8S)-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate; NSC704582; CHEMBL107883; NSC-704582; NCI60_037333"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704582	.	.	.	.	482.6	C27H38N4O4	104	795	4.1	35	3	4	9	"InChI=1S/C27H38N4O4/c1-16(2)14-21-23-18(17-10-6-7-11-19(17)29-23)15-22-24(32)30-20(25(33)31(21)22)12-8-9-13-28-26(34)35-27(3,4)5/h6-7,10-11,16,20-22,29H,8-9,12-15H2,1-5H3,(H,28,34)(H,30,32)/t20 ,21 ,22-/m0/s1"	CC(C)CC1C2=C(C[C@@H]3N1C(=O)C(NC3=O)CCCCNC(=O)OC(C)(C)C)C4=CC=CC=C4N2	GYNFOCMRARYTHB-HRTMPFAESA-N
DG58641	NSC704583	397178	"(8S)-5-[(2-methylpropan-2-yl)oxymethyl]-2-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione; NSC704583; CHEMBL322351; NSC-704583; NCI60_037334"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704583	.	.	.	.	397.5	C23H31N3O3	74.4	644	3.2	29	2	3	5	"InChI=1S/C23H31N3O3/c1-13(2)10-18-20-15(14-8-6-7-9-16(14)24-20)11-19-21(27)25-17(22(28)26(18)19)12-29-23(3,4)5/h6-9,13,17-19,24H,10-12H2,1-5H3,(H,25,27)/t17 ,18 ,19-/m0/s1"	CC(C)CC1C2=C(C[C@@H]3N1C(=O)C(NC3=O)COC(C)(C)C)C4=CC=CC=C4N2	NFTGGKHBTWDPAV-ACBHZAAOSA-N
DG58642	"3-(3,5-Dimethoxy-4-methylphenyl)-6,8-dimethoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one"	397182	NSC704588; CHEMBL1980752; NSC-704588; NCI60_037338	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704588	.	.	.	.	534.5	C26H30O12	163	823	1.3	38	4	12	8	"InChI=1S/C26H30O12/c1-11-15(32-2)6-12(7-16(11)33-3)14-10-36-23-13(19(14)28)8-17(34-4)24(25(23)35-5)38-26-22(31)21(30)20(29)18(9-27)37-26/h6-8,10,18,20-22,26-27,29-31H,9H2,1-5H3"	CC1=C(C=C(C=C1OC)C2=COC3=C(C(=C(C=C3C2=O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC)OC	CIIASBKMHVQXKM-UHFFFAOYSA-N
DG58643	[C-(5-nitrofuran-2-yl)-N-phenylcarbonimidoyl]sulfanyl 5-nitro-N-phenylfuran-2-carboximidothioate	397185	NSC704592; CHEMBL1971734; NSC-704592; NCI60_037341	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704592	.	.	.	.	494.5	C22H14N4O6S2	193	710	6.6	34	0	10	7	InChI=1S/C22H14N4O6S2/c27-25(28)19-13-11-17(31-19)21(23-15-7-3-1-4-8-15)33-34-22(24-16-9-5-2-6-10-16)18-12-14-20(32-18)26(29)30/h1-14H	C1=CC=C(C=C1)N=C(C2=CC=C(O2)[N+](=O)[O-])SSC(=NC3=CC=CC=C3)C4=CC=C(O4)[N+](=O)[O-]	FGDWBXDDXYLZBU-UHFFFAOYSA-N
DG58644	[N-(4-methoxyphenyl)-C-(5-nitrofuran-2-yl)carbonimidoyl]sulfanyl N-(4-methoxyphenyl)-5-nitrofuran-2-carboximidothioate	397186	NSC704593; CHEMBL1968532; NSC-704593; NCI60_037342	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704593	.	.	.	.	554.6	C24H18N4O8S2	212	797	6.5	38	0	12	9	"InChI=1S/C24H18N4O8S2/c1-33-17-7-3-15(4-8-17)25-23(19-11-13-21(35-19)27(29)30)37-38-24(20-12-14-22(36-20)28(31)32)26-16-5-9-18(34-2)10-6-16/h3-14H,1-2H3"	COC1=CC=C(C=C1)N=C(C2=CC=C(O2)[N+](=O)[O-])SSC(=NC3=CC=C(C=C3)OC)C4=CC=C(O4)[N+](=O)[O-]	VBYTTYBVVZAKLZ-UHFFFAOYSA-N
DG58645	"(5S)-2-Oxo-3-thia-1-azabicyclo[3.3.0]octane3,3-dioxide"	397195	"NSC704602; CHEMBL1977423; NSC-704602; NCI60_037351; (5S)-2-Oxo-3-thia-1-azabicyclo[3.3.0]octane3,3-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704602	.	.	.	.	175.21	C6H9NO3S	62.8	289	-0.3	11	0	3	0	"InChI=1S/C6H9NO3S/c8-6-7-3-1-2-5(7)4-11(6,9)10/h5H,1-4H2/t5-/m0/s1"	C1C[C@H]2CS(=O)(=O)C(=O)N2C1	AEPZRULXCKGTFI-YFKPBYRVSA-N
DG58646	"2,4-dimethyl-1,3-dioxo-7,8-dihydro-6H-purino[7,8-a]imidazole-7-carboxylic acid"	397197	NSC704604; CHEMBL1981484; NSC-704604; NCI60_037353	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704604	.	.	.	.	265.23	C10H11N5O4	108	469	-0.8	19	2	6	1	"InChI=1S/C10H11N5O4/c1-13-6-5(7(16)14(2)10(13)19)15-3-4(8(17)18)11-9(15)12-6/h4H,3H2,1-2H3,(H,11,12)(H,17,18)"	CN1C2=C(C(=O)N(C1=O)C)N3CC(NC3=N2)C(=O)O	DIJMJMFKTZVOGK-UHFFFAOYSA-N
DG58647	"N,N'-Bis(3-pyridylmethyl)oxamide"	397198	"NSC704607; N,N'-Bis-pyridin-3-ylmethyl-oxalamide; ST50002618; CHEMBL1972414; DTXSID10327932; N,N'-Bis(3-pyridylmethyl)oxamide; ZINC1863075; STK116989; AKOS000437822; MCULE-3077714092; N,N'-bis(pyridin-3-ylmethyl)oxalamide; NSC-704607; 196491-43-7; NCI60_037356; N,N'-bis(pyridin-3-ylmethyl)ethanediamide; SR-01000472557; SR-01000472557-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704607	.	.	.	.	270.29	C14H14N4O2	84	303	0.1	20	2	4	4	"InChI=1S/C14H14N4O2/c19-13(17-9-11-3-1-5-15-7-11)14(20)18-10-12-4-2-6-16-8-12/h1-8H,9-10H2,(H,17,19)(H,18,20)"	C1=CC(=CN=C1)CNC(=O)C(=O)NCC2=CN=CC=C2	BNXGAGLVOASELG-UHFFFAOYSA-N
DG58648	"N,N'-[(Methylimino)bis(ethylene)]bis(1-methyl-7,8-dichloro-1H-benzo[g]indole-3-carboxamide)"	397208	"NSC704617; CHEMBL1984175; NSC-704617; NCI60_037365; N,N'-[(Methylimino)bis(ethylene)]bis(1-methyl-7,8-dichloro-1H-benzo[g]indole-3-carboxamide)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704617	.	.	.	.	669.4	C33H29Cl4N5O2	71.3	962	7.4	44	2	3	8	"InChI=1S/C33H29Cl4N5O2/c1-40(10-8-38-32(43)24-16-41(2)30-20(24)6-4-18-12-26(34)28(36)14-22(18)30)11-9-39-33(44)25-17-42(3)31-21(25)7-5-19-13-27(35)29(37)15-23(19)31/h4-7,12-17H,8-11H2,1-3H3,(H,38,43)(H,39,44)"	CN1C=C(C2=C1C3=CC(=C(C=C3C=C2)Cl)Cl)C(=O)NCCN(C)CCNC(=O)C4=CN(C5=C4C=CC6=CC(=C(C=C65)Cl)Cl)C	NSLADDNPUPFIFG-UHFFFAOYSA-N
DG58649	"N,N'-[(Methylimino)bis(ethylene)]bis(1-methyl-7-chloro-1H-benzo[g]indole-3-carboxamide)"	397209	"NSC704618; CHEMBL1970423; NSC-704618; NCI60_037366; N,N'-[(Methylimino)bis(ethylene)]bis(1-methyl-7-chloro-1H-benzo[g]indole-3-carboxamide)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704618	.	.	.	.	600.5	C33H31Cl2N5O2	71.3	897	6.1	42	2	3	8	"InChI=1S/C33H31Cl2N5O2/c1-38(14-12-36-32(41)28-18-39(2)30-24-10-6-22(34)16-20(24)4-8-26(28)30)15-13-37-33(42)29-19-40(3)31-25-11-7-23(35)17-21(25)5-9-27(29)31/h4-11,16-19H,12-15H2,1-3H3,(H,36,41)(H,37,42)"	CN1C=C(C2=C1C3=C(C=C2)C=C(C=C3)Cl)C(=O)NCCN(C)CCNC(=O)C4=CN(C5=C4C=CC6=C5C=CC(=C6)Cl)C	LBAOWDSPSUKVTH-UHFFFAOYSA-N
DG58650	"N,N'-[(Methylimino)bis(trimethylene)]bis(1-methyl-7,8-dichloro-1H-benzo[g]indole-3-carboxamide)"	397210	"NSC704619; CHEMBL1972075; NSC-704619; NCI60_037367; N,N'-[(Methylimino)bis(trimethylene)]bis(1-methyl-7,8-dichloro-1H-benzo[g]indole-3-carboxamide)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704619	.	.	.	.	697.5	C35H33Cl4N5O2	71.3	992	8.1	46	2	3	10	"InChI=1S/C35H33Cl4N5O2/c1-42(12-4-10-40-34(45)26-18-43(2)32-22(26)8-6-20-14-28(36)30(38)16-24(20)32)13-5-11-41-35(46)27-19-44(3)33-23(27)9-7-21-15-29(37)31(39)17-25(21)33/h6-9,14-19H,4-5,10-13H2,1-3H3,(H,40,45)(H,41,46)"	CN1C=C(C2=C1C3=CC(=C(C=C3C=C2)Cl)Cl)C(=O)NCCCN(C)CCCNC(=O)C4=CN(C5=C4C=CC6=CC(=C(C=C65)Cl)Cl)C	VTQLOYRNRAXPSC-UHFFFAOYSA-N
DG58651	"N,N'-[(Methylimino)bis(trimethylene)]bis(1-methyl-7-chloro-1H-benzo[g]indole-3-carboxamide)"	397211	"NSC704620; CHEMBL1991764; NSC-704620; NCI60_037368; N,N'-[(Methylimino)bis(trimethylene)]bis(1-methyl-7-chloro-1H-benzo[g]indole-3-carboxamide)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704620	.	.	.	.	628.6	C35H35Cl2N5O2	71.3	926	6.8	44	2	3	10	"InChI=1S/C35H35Cl2N5O2/c1-40(16-4-14-38-34(43)30-20-41(2)32-26-12-8-24(36)18-22(26)6-10-28(30)32)17-5-15-39-35(44)31-21-42(3)33-27-13-9-25(37)19-23(27)7-11-29(31)33/h6-13,18-21H,4-5,14-17H2,1-3H3,(H,38,43)(H,39,44)"	CN1C=C(C2=C1C3=C(C=C2)C=C(C=C3)Cl)C(=O)NCCCN(C)CCCNC(=O)C4=CN(C5=C4C=CC6=C5C=CC(=C6)Cl)C	KTJVFVRZIVEWKI-UHFFFAOYSA-N
DG58652	"N,N'-[(Methylimino)bis(ethylene)]bis(1H-benzo[g]indole-3-carboxamide)"	397214	"MLS002702473; NSC704622; CHEMBL1722142; NSC-704622; NCI60_037370; SMR001566034; N,N'-[(Methylimino)bis(ethylene)]bis(1H-benzo[g]indole-3-carboxamide)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704622	.	.	.	.	503.6	C31H29N5O2	93	771	5	38	4	3	8	"InChI=1S/C31H29N5O2/c1-36(16-14-32-30(37)26-18-34-28-22-8-4-2-6-20(22)10-12-24(26)28)17-15-33-31(38)27-19-35-29-23-9-5-3-7-21(23)11-13-25(27)29/h2-13,18-19,34-35H,14-17H2,1H3,(H,32,37)(H,33,38)"	CN(CCNC(=O)C1=CNC2=C1C=CC3=CC=CC=C32)CCNC(=O)C4=CNC5=C4C=CC6=CC=CC=C65	VROFFYZWONRMLJ-UHFFFAOYSA-N
DG58653	9-Cyanopaullone	397216	"9-Cyanopaullone; CHEMBL299756; 9-cyano paullone; Paullone Analog 2; NSC704626; PAULLONE 2; BDBM7263; SCHEMBL5688525; ZINC1863090; 6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carbonitrile; Indolo[3, 9-cyano-7,12-dihydro-; NSC 704626; NSC-704626; NCI60_037372; M01537; Q27464326; 7,12-Dihydro-9-cyanoindolo[3,2-d][1]benzazepine-6(5H)-one; 9-CYANO-7,12-DIHYDDRO-5H-INDOLO[3,2-D][1]BENZAZEPIN-6-ONE; 9-oxo-8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaene-14-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704626	.	.	.	.	273.29	C17H11N3O	68.7	482	2.3	21	2	2	0	"InChI=1S/C17H11N3O/c18-9-10-5-6-15-12(7-10)13-8-16(21)19-14-4-2-1-3-11(14)17(13)20-15/h1-7,20H,8H2,(H,19,21)"	C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)C#N	LBVIZFWUIQSZHP-UHFFFAOYSA-N
DG58654	"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-methyl-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid"	397240	NSC704657; CHEMBL2002826; NSC-704657; NCI60_037396	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704657	.	.	.	.	462.9	C19H15ClN4O4S2	140	865	2.8	30	1	8	3	"InChI=1S/C19H15ClN4O4S2/c1-11-10-19(24(22-11)12-5-4-6-13(9-12)30(26,27)28)16(20)17(25)23(19)18-21-14-7-2-3-8-15(14)29-18/h2-9,16H,10H2,1H3,(H,26,27,28)"	CC1=NN(C2(C1)C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=CC=C5)S(=O)(=O)O	ZJNZSDXKKPDZMW-UHFFFAOYSA-N
DG58655	"1-(1,3-Benzothiazol-2-yl)-3-chloro-2-oxo-8-(4-sulfophenyl)-1,7,8-triazaspiro[3.4]oct-6-ene-6-carboxylic acid"	397246	NSC704663; CHEMBL1973450; NSC-704663; NCI60_037402	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704663	.	.	.	.	492.9	C19H13ClN4O6S2	177	950	2.5	32	2	10	4	"InChI=1S/C19H13ClN4O6S2/c20-15-16(25)23(18-21-12-3-1-2-4-14(12)31-18)19(15)9-13(17(26)27)22-24(19)10-5-7-11(8-6-10)32(28,29)30/h1-8,15H,9H2,(H,26,27)(H,28,29,30)"	C1C(=NN(C12C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC=C(C=C5)S(=O)(=O)O)C(=O)O	QQIYXSQDGMFMHN-UHFFFAOYSA-N
DG58656	"4-[4-(1,3-Benzothiazol-2-yl)-8-methyl-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid"	397248	NSC704665; CHEMBL1997998; NSC-704665; NCI60_037404	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704665	.	.	.	.	460.6	C19H16N4O4S3	165	839	3	30	1	9	3	"InChI=1S/C19H16N4O4S3/c1-12-10-19(23(21-12)13-6-8-14(9-7-13)30(25,26)27)22(17(24)11-28-19)18-20-15-4-2-3-5-16(15)29-18/h2-9H,10-11H2,1H3,(H,25,26,27)"	CC1=NN(C2(C1)N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)S(=O)(=O)O	XYCSFNVRMIKZEM-UHFFFAOYSA-N
DG58657	"4-(1,3-Benzothiazol-2-yl)-3-oxo-6-(4-sulfophenyl)-1-thia-4,6,7-triazaspiro[4.4]non-7-ene-8-carboxylic acid"	397252	NSC704669; CHEMBL2000491; NSC-704669; NCI60_037407	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704669	.	.	.	.	490.5	C19H14N4O6S3	202	932	2.6	32	2	11	4	"InChI=1S/C19H14N4O6S3/c24-16-10-30-19(22(16)18-20-13-3-1-2-4-15(13)31-18)9-14(17(25)26)21-23(19)11-5-7-12(8-6-11)32(27,28)29/h1-8H,9-10H2,(H,25,26)(H,27,28,29)"	C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)S(=O)(=O)O)C(=O)O	QMSSWEIIVHQALA-UHFFFAOYSA-N
DG58658	2-sulfanyl-N'-[2-[[2-[[(2-sulfanylbenzoyl)amino]carbamoyl]phenyl]disulfanyl]benzoyl]benzohydrazide	397254	"NSC704782; CHEMBL157373; SCHEMBL14259803; BDBM50121972; NSC-704782; 2-sulfanyl-N'-[2-[[2-[[(2-sulfanylbenzoyl)amino]carbamoyl]phenyl]disulfanyl]benzoyl]benzohydrazide; NCI60_037409; N,N'-Bis(2-mercaptobenzoyl)-2,2'-dithiosalicylhydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704782	.	.	.	.	606.8	C28H22N4O4S4	169	826	5.2	40	6	8	7	"InChI=1S/C28H22N4O4S4/c33-25(17-9-1-5-13-21(17)37)29-31-27(35)19-11-3-7-15-23(19)39-40-24-16-8-4-12-20(24)28(36)32-30-26(34)18-10-2-6-14-22(18)38/h1-16,37-38H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)"	C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)NNC(=O)C4=CC=CC=C4S)S	LLSCXYAYBZEUTP-UHFFFAOYSA-N
DG58659	"N,N'-Bis(2,2'-dithiosalicyl)hydrazide"	397255	"N,N'-Bis(2,2'-dithiosalicyl)hydrazide; 292615-40-8; NSC704783; CHEMBL152850; 2,3,20,21-tetrathia-11,12,29,30-tetrazapentacyclo[30.4.0.04,9.014,19.022,27]hexatriaconta-1(36),4,6,8,14,16,18,22,24,26,32,34-dodecaene-10,13,28,31-tetrone; Tetrabenzo[c,i,m,s][1,2,11,12,6,7,16,17]tetrathiatetraazacycloeicosine-11,14,25,28-tetrone, 12,13,26,27-tetrahydro-; SCHEMBL14259805; DTXSID30327934; ZINC3993703; BDBM50121970; NSC-704783; NCI60_037410; FT-0663280; J-017454; N,N inverted exclamation mark -Bis(2,2 inverted exclamation mark -dithiosalicyl)hydrazide; 11,12,13,14,25,26,27,28-octahydrotetrabenzo[c,i,m,s][1,2,11,12,6,7,16,17]tetrathiatetraazacycloicosine-11,14,25,28-tetraone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704783	.	.	.	.	604.8	C28H20N4O4S4	218	783	5.1	40	4	8	0	"InChI=1S/C28H20N4O4S4/c33-25-17-9-1-5-13-21(17)37-38-22-14-6-2-10-18(22)27(35)31-32-28(36)20-12-4-8-16-24(20)40-39-23-15-7-3-11-19(23)26(34)30-29-25/h1-16H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)"	C1=CC=C2C(=C1)C(=O)NNC(=O)C3=CC=CC=C3SSC4=CC=CC=C4C(=O)NNC(=O)C5=CC=CC=C5SS2	ZFFCQXUXSGUXST-UHFFFAOYSA-N
DG58660	"N,N'-Bis(2-mercaptobenzoyl)hydrazide"	397256	"N,N'-Bis(2-mercaptobenzoyl)hydrazide; 292615-41-9; 2-sulfanyl-n'-(2-sulfanylbenzoyl)benzohydrazide; 1217678-56-2; CHEMBL157428; BIS(THIOSALICYL)HYDRAZIDE; NSC704784; rac-trans-1,2-Bis(2-mercaptoacetamido)cyclohexane Disulfide; Benzoic acid, 2-mercapto-, 2-(2-mercaptobenzoyl)hydrazide; SCHEMBL7885471; ZINC26181; DTXSID90327935; BDBM50121971; NSC-704784; L-17; NCI60_037411; FT-0663323; FT-0663324; N,N'-BIS-(2-MERCAPTOBENZOYL)HYDRAZIDE; J-017455; 2-Mercapto-benzoic acid N''-(2-mercapto-benzoyl)-hydrazide; N,N inverted exclamation mark -Bis(2-mercaptobenzoyl)hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704784	.	.	.	.	304.4	C14H12N2O2S2	60.2	331	2.7	20	4	4	2	"InChI=1S/C14H12N2O2S2/c17-13(9-5-1-3-7-11(9)19)15-16-14(18)10-6-2-4-8-12(10)20/h1-8,19-20H,(H,15,17)(H,16,18)"	C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2S)S	BCDWFVITTFIUNV-UHFFFAOYSA-N
DG58661	"2-(2-chlorophenoxy)-N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide"	397259	NSC704787; CHEMBL1982676; NSC-704787; NCI60_037414	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704787	.	.	.	.	411.3	C18H16Cl2N2O3S	83.9	517	4.7	26	1	4	4	"InChI=1S/C18H16Cl2N2O3S/c1-11(25-15-5-3-2-4-14(15)20)17(24)21-22-16(23)10-26-18(22)12-6-8-13(19)9-7-12/h2-9,11,18H,10H2,1H3,(H,21,24)"	CC(C(=O)NN1C(SCC1=O)C2=CC=C(C=C2)Cl)OC3=CC=CC=C3Cl	MMOJOYYBEUMETD-UHFFFAOYSA-N
DG58662	"2-(2,4-dichlorophenoxy)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)propanamide"	397260	NSC704788; CHEMBL1995516; NSC-704788; NCI60_037415	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704788	.	.	.	.	411.3	C18H16Cl2N2O3S	83.9	519	4.7	26	1	4	4	"InChI=1S/C18H16Cl2N2O3S/c1-11(25-15-8-7-13(19)9-14(15)20)17(24)21-22-16(23)10-26-18(22)12-5-3-2-4-6-12/h2-9,11,18H,10H2,1H3,(H,21,24)"	CC(C(=O)NN1C(SCC1=O)C2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)Cl	DEFIUIMCPXKHQD-UHFFFAOYSA-N
DG58663	"2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide"	397261	NSC704789; CHEMBL1967079; NSC-704789; NCI60_037416	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704789	.	.	.	.	441.3	C19H18Cl2N2O4S	93.2	562	4.6	28	1	5	5	"InChI=1S/C19H18Cl2N2O4S/c1-11(27-16-8-5-13(20)9-15(16)21)18(25)22-23-17(24)10-28-19(23)12-3-6-14(26-2)7-4-12/h3-9,11,19H,10H2,1-2H3,(H,22,25)"	CC(C(=O)NN1C(SCC1=O)C2=CC=C(C=C2)OC)OC3=C(C=C(C=C3)Cl)Cl	PILBBIDXODAQND-UHFFFAOYSA-N
DG58664	"2-(2-methylphenoxy)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)propanamide"	397263	NSC704791; CHEMBL1966726; NSC-704791; NCI60_037418	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704791	.	.	.	.	356.4	C19H20N2O3S	83.9	481	3.8	25	1	4	4	"InChI=1S/C19H20N2O3S/c1-13-8-6-7-11-16(13)24-14(2)18(23)20-21-17(22)12-25-19(21)15-9-4-3-5-10-15/h3-11,14,19H,12H2,1-2H3,(H,20,23)"	CC1=CC=CC=C1OC(C)C(=O)NN2C(SCC2=O)C3=CC=CC=C3	FFJUDQDGCKOKOG-UHFFFAOYSA-N
DG58665	"2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]propanamide"	397267	NSC704795; CHEMBL1996864; NSC-704795; NCI60_037422	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704795	.	.	.	.	452.3	C19H15Cl2N3O4S	111	672	4.2	29	1	5	4	"InChI=1S/C19H15Cl2N3O4S/c1-11(28-15-5-3-2-4-14(15)21)18(27)22-24-17(26)10-16(25)23(19(24)29)13-8-6-12(20)7-9-13/h2-9,11H,10H2,1H3,(H,22,27)"	CC(C(=O)NN1C(=O)CC(=O)N(C1=S)C2=CC=C(C=C2)Cl)OC3=CC=CC=C3Cl	VBIXKRWOKIDSTJ-UHFFFAOYSA-N
DG58666	"2-(2,4-dichlorophenoxy)-N-(4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide"	397268	NSC704796; CHEMBL1967806; NSC-704796; NCI60_037423	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704796	.	.	.	.	452.3	C19H15Cl2N3O4S	111	674	4.2	29	1	5	4	"InChI=1S/C19H15Cl2N3O4S/c1-11(28-15-8-7-12(20)9-14(15)21)18(27)22-24-17(26)10-16(25)23(19(24)29)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,22,27)"	CC(C(=O)NN1C(=O)CC(=O)N(C1=S)C2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)Cl	CFEFNWUCQQUWEK-UHFFFAOYSA-N
DG58667	"2-(2-methylphenoxy)-N-[3-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]propanamide"	397271	NSC704799; CHEMBL2002460; NSC-704799; NCI60_037426	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704799	.	.	.	.	411.5	C21H21N3O4S	111	662	3.7	29	1	5	4	"InChI=1S/C21H21N3O4S/c1-13-8-10-16(11-9-13)23-18(25)12-19(26)24(21(23)29)22-20(27)15(3)28-17-7-5-4-6-14(17)2/h4-11,15H,12H2,1-3H3,(H,22,27)"	CC1=CC=C(C=C1)N2C(=O)CC(=O)N(C2=S)NC(=O)C(C)OC3=CC=CC=C3C	UHEKFFPRIAJIKL-UHFFFAOYSA-N
DG58668	"4H-1-Benzopyran-4-one,8-difluoro-7-methyl-5-(dimethylamino)acetamido-2-[4-(dimethylamino)acetamido-3-fluorophenyl]-"	397280	"NSC704822; SCHEMBL1561061; CHEMBL1989950; NSC-704822; NCI60_037433; 4H-1-Benzopyran-4-one,8-difluoro-7-methyl-5-(dimethylamino)acetamido-2-[4-(dimethylamino)acetamido-3-fluorophenyl]-; Acetamide,8-difluoro-7-methyl- 5-(dimethylamino)acetamido-4-oxo-4H-1-benzopyran-2-yl]- 2-fluorophenyl]-2-(dimethylamino)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704822	.	.	.	.	490.5	C24H25F3N4O4	91	840	2.9	35	2	9	7	"InChI=1S/C24H25F3N4O4/c1-12-21(26)23(29-19(34)11-31(4)5)20-16(32)9-17(35-24(20)22(12)27)13-6-7-15(14(25)8-13)28-18(33)10-30(2)3/h6-9H,10-11H2,1-5H3,(H,28,33)(H,29,34)"	CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)NC(=O)CN(C)C)F)NC(=O)CN(C)C)F	VNCGBWXCWMNPDR-UHFFFAOYSA-N
DG58669	"4H-1-Benzopyran-4-one,8-difluoro-7-methyl-2-[4-(dimethylamino)acetamido-3-fluorophenyl]-"	397281	"NSC704823; SCHEMBL1559554; CHEMBL2005237; NSC-704823; NCI60_037434; 4H-1-Benzopyran-4-one,8-difluoro-7-methyl-2-[4-(dimethylamino)acetamido-3-fluorophenyl]-; Acetamide,8-difluoro-7-methyl- 4-oxo-4H-1-benzopyran-2-yl)-2-fluorophenyl]- 2-(dimethylamino)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704823	.	.	.	.	405.4	C20H18F3N3O3	84.7	675	3	29	2	8	4	"InChI=1S/C20H18F3N3O3/c1-9-17(22)19(24)16-13(27)7-14(29-20(16)18(9)23)10-4-5-12(11(21)6-10)25-15(28)8-26(2)3/h4-7H,8,24H2,1-3H3,(H,25,28)"	CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)NC(=O)CN(C)C)F)N)F	IJPDXUWFXMQOGZ-UHFFFAOYSA-N
DG58670	"1-[4-Azido-5-(hydroxymethyl)oxolan-2-yl]-3-(4-bromobutyl)-5-methylpyrimidine-2,4-dione"	397325	NSC704881; CHEMBL1988522; NSC-704881; NCI60_037478	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704881	.	.	.	.	402.24	C14H20BrN5O4	84.4	578	1.7	24	1	6	7	"InChI=1S/C14H20BrN5O4/c1-9-7-20(12-6-10(17-18-16)11(8-21)24-12)14(23)19(13(9)22)5-3-2-4-15/h7,10-12,21H,2-6,8H2,1H3"	CC1=CN(C(=O)N(C1=O)CCCCBr)C2CC(C(O2)CO)N=[N+]=[N-]	VNLZHFGIBSIFIB-UHFFFAOYSA-N
DG58671	NSC704944	397341	"(6R,6aS,12aR)-12a-hydroxy-2,3,9-trimethoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one; NSC704944; CHEMBL2002396; NSC-704944; NCI60_037494"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704944	.	.	.	.	536.5	C25H28O13	183	844	-0.1	38	5	13	6	"InChI=1S/C25H28O13/c1-32-10-4-5-11-13(6-10)35-22-24(38-23-20(29)19(28)18(27)17(9-26)37-23)36-14-8-16(34-3)15(33-2)7-12(14)25(22,31)21(11)30/h4-8,17-20,22-24,26-29,31H,9H2,1-3H3/t17 ,18 ,19 ,20 ,22-,23 ,24-,25+/m1/s1"	COC1=CC2=C(C=C1)C(=O)[C@@]3([C@H](O2)[C@H](OC4=CC(=C(C=C43)OC)OC)OC5C(C(C(C(O5)CO)O)O)O)O	GQYHMYYXQXEGFY-QFEXWSCGSA-N
DG58672	11-Deoxyclitoriacetal	397343	NSC704946; 11-Deoxyclitoriacetal; CHEMBL1985487; NSC-704946; NCI60_037496	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704946	.	.	.	.	374.3	C19H18O8	104	570	1.5	27	2	8	3	"InChI=1S/C19H18O8/c1-23-9-4-5-10-12(6-9)26-17-18(21)27-13-8-15(25-3)14(24-2)7-11(13)19(17,22)16(10)20/h4-8,17-18,21-22H,1-3H3/t17-,18 ,19+/m1/s1"	COC1=CC2=C(C=C1)C(=O)[C@@]3([C@H](O2)C(OC4=CC(=C(C=C43)OC)OC)O)O	DKNLJCRQRYRUNC-KGNCLDLBSA-N
DG58673	Cbz-Val-Val-N(Me)Leu-Pro-Pro-OVal-Unk	397354	NSC704964; CHEMBL1965186; NSC-704964; NCI60_037507	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704964	.	.	.	.	957.2	C52H72N6O11	201	1860	7.2	69	2	11	22	"InChI=1S/C52H72N6O11/c1-31(2)27-40(55(9)49(63)44(33(5)6)53-46(60)43(32(3)4)54-52(66)68-30-36-21-15-12-16-22-36)48(62)56-25-17-23-37(56)47(61)57-26-18-24-38(57)51(65)69-45(34(7)8)50(64)58-39(41(67-10)29-42(58)59)28-35-19-13-11-14-20-35/h11-16,19-22,29,31-34,37-40,43-45H,17-18,23-28,30H2,1-10H3,(H,53,60)(H,54,66)/t37-,38-,39-,40-,43-,44-,45-/m0/s1"	CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@@H](C(C)C)C(=O)N3[C@H](C(=CC3=O)OC)CC4=CC=CC=C4)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)OCC5=CC=CC=C5	NPZPWJBXDUFVSE-JPTQGGKCSA-N
DG58674	NSC704970	397360	"(2S)-N-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide; NSC704970; CHEMBL2006793; NSC-704970; NCI60_037513"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704970	.	.	.	.	825	C47H64N6O7	141	1410	6.9	60	2	8	18	"InChI=1S/C47H64N6O7/c1-30(2)40(49-44(55)41(31(3)4)52(27-34-17-12-10-13-18-34)28-35-19-14-11-15-20-35)46(57)51(9)42(32(5)6)47(58)53-24-16-21-37(53)45(56)50(8)33(7)43(54)48-26-36-22-23-38-39(25-36)60-29-59-38/h10-15,17-20,22-23,25,30-33,37,40-42H,16,21,24,26-29H2,1-9H3,(H,48,54)(H,49,55)/t33-,37+,40+,41+,42+/m1/s1"	C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(CC4=CC=CC=C4)CC5=CC=CC=C5	LHAMVGHPJUENKS-GRUPRJISSA-N
DG58675	octanoyl-Val-Val-N(Me)Val-Pro-D-N(Me)Ala-Unk	397361	NSC704971; CHEMBL1970861; NSC-704971; NCI60_037514	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704971	.	.	.	.	787	C42H70N6O8	167	1290	6.3	56	3	8	22	"InChI=1S/C42H70N6O8/c1-13-14-15-16-17-20-34(49)44-35(26(2)3)39(51)45-36(27(4)5)41(53)47(10)37(28(6)7)42(54)48-23-18-19-32(48)40(52)46(9)29(8)38(50)43-25-30-21-22-31(55-11)24-33(30)56-12/h21-22,24,26-29,32,35-37H,13-20,23,25H2,1-12H3,(H,43,50)(H,44,49)(H,45,51)/t29-,32+,35+,36+,37+/m1/s1"	CCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C)C(=O)NCC2=C(C=C(C=C2)OC)OC	LHCKSKUDHKMEQN-DYYMYWGBSA-N
DG58676	N(Bn2)Val-Val-N(Me)Val-D-N(Me)Ala-Pro-Unk	397362	NSC704972; CHEMBL1965792; NSC-704972; NCI60_037515	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704972	.	.	.	.	841.1	C48H68N6O7	141	1390	7	61	2	8	20	"InChI=1S/C48H68N6O7/c1-31(2)41(50-45(56)42(32(3)4)53(29-35-19-14-12-15-20-35)30-36-21-16-13-17-22-36)47(58)52(9)43(33(5)6)48(59)51(8)34(7)46(57)54-26-18-23-39(54)44(55)49-28-37-24-25-38(60-10)27-40(37)61-11/h12-17,19-22,24-25,27,31-34,39,41-43H,18,23,26,28-30H2,1-11H3,(H,49,55)(H,50,56)/t34-,39+,41+,42+,43+/m1/s1"	C[C@H](C(=O)N1CCC[C@H]1C(=O)NCC2=C(C=C(C=C2)OC)OC)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(CC3=CC=CC=C3)CC4=CC=CC=C4	IGMWBEZAKYOYEJ-BTAISYOBSA-N
DG58677	"(2R,4S,10R,12S)-3,11-dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(17),5(18),6,8,13,15-hexaene"	397363	NSC705016; CHEMBL2002007; NSC-705016; NCI60_037516	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705016	.	.	.	.	234.25	C16H10O2	25.1	338	1.7	18	0	2	0	"InChI=1S/C16H10O2/c1-3-7-11-8(4-1)14-16(18-14)10-6-2-5-9(12(10)11)15-13(7)17-15/h1-6,13-16H/t13-,14+,15+,16-"	C1=CC2=C3C(=C1)[C@@H]4[C@@H](O4)C5=CC=CC(=C53)[C@@H]6[C@H]2O6	ODWIKMRCLCFXPH-SYMSYNOKSA-N
DG58678	"1-Nitro-4,5,9,10-tetrahydro-4beta,5beta:9alpha,10alpha-diepoxypyrene"	397364	"NSC705017; CHEMBL1992546; NSC-705017; NCI60_037517; 1-Nitro-4,5,9,10-tetrahydro-4beta,5beta:9alpha,10alpha-diepoxypyrene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705017	.	.	.	.	279.25	C16H9NO4	70.9	519	1.5	21	0	4	0	"InChI=1S/C16H9NO4/c18-17(19)9-5-4-8-11-10-6(13-14(8)20-13)2-1-3-7(10)15-16(21-15)12(9)11/h1-5,13-16H/t13-,14+,15-,16+/m0/s1"	C1=CC2=C3C(=C1)[C@H]4[C@H](O4)C5=C(C=CC(=C53)[C@@H]6[C@H]2O6)[N+](=O)[O-]	PSJVYDKXINWURE-XUWVNRHRSA-N
DG58679	"1-Bromo-4,5,9,10-tetrahydro-4beta,5beta:9beta,10beta-diepoxypyrene"	397367	"CHEMBL1971253; NSC705020; NSC-705020; NCI60_037520; 1-Bromo-4,5,9,10-tetrahydro-4beta,5beta:9beta,10beta-diepoxypyrene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705020	.	.	.	.	313.14	C16H9BrO2	25.1	441	2.4	19	0	2	0	"InChI=1S/C16H9BrO2/c17-9-5-4-8-11-10-6(13-14(8)18-13)2-1-3-7(10)15-16(19-15)12(9)11/h1-5,13-16H/t13-,14+,15+,16-/m0/s1"	C1=CC2=C3C(=C1)[C@@H]4[C@@H](O4)C5=C(C=CC(=C53)[C@@H]6[C@H]2O6)Br	DRKTVMCQLWVGFV-JJXSEGSLSA-N
DG58680	"1-Acetyl-4,5,9,10-tetrahydro-4beta,5beta:9alpha,10alpha-diepoxypyrene"	397368	"NSC705021; CHEMBL1979848; NSC-705021; NCI60_037521; 1-Acetyl-4,5,9,10-tetrahydro-4beta,5beta:9alpha,10alpha-diepoxypyrene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705021	.	.	.	.	276.3	C18H12O3	42.1	517	1.4	21	0	3	1	"InChI=1S/C18H12O3/c1-7(19)8-5-6-11-13-12-9(15-16(11)20-15)3-2-4-10(12)17-18(21-17)14(8)13/h2-6,15-18H,1H3/t15-,16+,17-,18+/m0/s1"	CC(=O)C1=C2[C@@H]3[C@@H](O3)C4=CC=CC5=C4C2=C(C=C1)[C@@H]6[C@H]5O6	VBGVMPZDNOKGNZ-XWTMOSNGSA-N
DG58681	"1-Acetyl-4,5,9,10-tetrahydro-4beta,5beta:9beta,10beta-diepoxypyrene"	397369	"CHEMBL1976190; NSC705022; NSC-705022; NCI60_037522; 1-Acetyl-4,5,9,10-tetrahydro-4beta,5beta:9beta,10beta-diepoxypyrene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705022	.	.	.	.	276.3	C18H12O3	42.1	517	1.4	21	0	3	1	"InChI=1S/C18H12O3/c1-7(19)8-5-6-11-13-12-9(15-16(11)20-15)3-2-4-10(12)17-18(21-17)14(8)13/h2-6,15-18H,1H3/t15-,16+,17+,18-/m0/s1"	CC(=O)C1=C2[C@H]3[C@H](O3)C4=CC=CC5=C4C2=C(C=C1)[C@@H]6[C@H]5O6	VBGVMPZDNOKGNZ-MLHJIOFPSA-N
DG58682	"1-Acetoxy-4,5,9,10-tetrahydro-4beta,5beta:9alpha,10alpha-diepoxypyrene"	397370	"NSC705023; CHEMBL1985777; NSC-705023; NCI60_037523; 1-Acetoxy-4,5,9,10-tetrahydro-4beta,5beta:9alpha,10alpha-diepoxypyrene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705023	.	.	.	.	292.3	C18H12O4	51.4	533	1.4	22	0	4	2	"InChI=1S/C18H12O4/c1-7(19)20-11-6-5-10-13-12-8(15-16(10)21-15)3-2-4-9(12)17-18(22-17)14(11)13/h2-6,15-18H,1H3/t15-,16+,17-,18+/m0/s1"	CC(=O)OC1=C2[C@@H]3[C@@H](O3)C4=CC=CC5=C4C2=C(C=C1)[C@@H]6[C@H]5O6	WMKVLWDGVRQMEB-XWTMOSNGSA-N
DG58683	"1-Acetoxy-4,5,9,10-tetrahydro-4beta,5beta:9beta,10beta-diepoxypyrene"	397371	"CHEMBL2004713; NSC705024; NSC-705024; NCI60_037524; 1-Acetoxy-4,5,9,10-tetrahydro-4beta,5beta:9beta,10beta-diepoxypyrene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705024	.	.	.	.	292.3	C18H12O4	51.4	533	1.4	22	0	4	2	"InChI=1S/C18H12O4/c1-7(19)20-11-6-5-10-13-12-8(15-16(10)21-15)3-2-4-9(12)17-18(22-17)14(11)13/h2-6,15-18H,1H3/t15-,16+,17+,18-/m0/s1"	CC(=O)OC1=C2[C@H]3[C@H](O3)C4=CC=CC5=C4C2=C(C=C1)[C@@H]6[C@H]5O6	WMKVLWDGVRQMEB-MLHJIOFPSA-N
DG58684	"(1R,2S,4R,5S,7R,9S)-1,2,4,5,7,9-hexamethyl-3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane"	397374	NSC705027; CHEMBL1969333; NSC-705027; NCI60_037527	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705027	.	.	.	.	226.27	C12H18O4	46.8	401	0.4	16	0	4	0	"InChI=1S/C12H18O4/c1-7-8(2,13-7)10(4)12(6,15-10)16-11(5)9(7,3)14-11/h1-6H3/t7-,8+,9+,10-,11-,12+"	C[C@]12[C@](O1)([C@@]3([C@@](O3)(O[C@@]4([C@]2(O4)C)C)C)C)C	GKBCLQUAMHOKQE-KUDAMMAASA-N
DG58685	"5,6-Bis(2-pyridinyl)pyrazine-2,3-dicarboxylic acid"	397377	"NSC705079; CHEMBL2000502; NSC-705079; NCI60_037531; 5,6-Bis(2-pyridinyl)pyrazine-2,3-dicarboxylic acid; 3-Carboxy-5-(2-pyridinio)-6-(2-pyridyl)pyrazine-2-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705079	.	.	.	.	322.27	C16H10N4O4	126	433	0.8	24	2	8	4	"InChI=1S/C16H10N4O4/c21-15(22)13-14(16(23)24)20-12(10-6-2-4-8-18-10)11(19-13)9-5-1-3-7-17-9/h1-8H,(H,21,22)(H,23,24)"	C1=CC=NC(=C1)C2=C(N=C(C(=N2)C(=O)O)C(=O)O)C3=CC=CC=N3	IBEHNEMWMYLQBP-UHFFFAOYSA-N
DG58686	"(3aR,7aR)-1,3-Dimethyl-2-ethyloctahydro-1H-1,3,2-benzodiazaphosphole 2-oxide"	397403	"NSC705144; CHEMBL2003540; NSC-705144; NCI60_037555; (3aR,7aR)-1,3-Dimethyl-2-ethyloctahydro-1H-1,3,2-benzodiazaphosphole 2-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705144	.	.	.	.	216.26	C10H21N2OP	23.6	247	1.3	14	0	3	1	"InChI=1S/C10H21N2OP/c1-4-14(13)11(2)9-7-5-6-8-10(9)12(14)3/h9-10H,4-8H2,1-3H3/t9-,10-/m1/s1"	CCP1(=O)N([C@@H]2CCCC[C@H]2N1C)C	MFUIQZXBLJYEND-NXEZZACHSA-N
DG58687	"3-[(tert-Butyloxycarbonyl)amino]-7,9-dibromo-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione"	397416	"NSC705162; CHEMBL2007412; NSC-705162; NCI60_037573; 3-[(tert-Butyloxycarbonyl)amino]-7,9-dibromo-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705162	.	.	.	.	437.08	C14H15Br2NO5	81.7	581	3.1	22	1	5	3	"InChI=1S/C14H15Br2NO5/c1-13(2,3)22-12(20)17-9-6-14(21-11(9)19)4-7(15)10(18)8(16)5-14/h4-5,9H,6H2,1-3H3,(H,17,20)"	CC(C)(C)OC(=O)NC1CC2(C=C(C(=O)C(=C2)Br)Br)OC1=O	HTXPBSNVLNKUBS-UHFFFAOYSA-N
DG58688	"Ethyl 7,9-dibromo-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6,9-triene-3-carboxylate"	397417	NSC705163; CHEMBL1992519; NSC-705163; NCI60_037574	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705163	.	.	.	.	379	C11H9Br2NO4	65	485	2.5	18	0	5	3	"InChI=1S/C11H9Br2NO4/c1-2-17-10(16)8-5-11(18-14-8)3-6(12)9(15)7(13)4-11/h3-4H,2,5H2,1H3"	CCOC(=O)C1=NOC2(C1)C=C(C(=O)C(=C2)Br)Br	ORARTTQFEFEHMJ-UHFFFAOYSA-N
DG58689	4-Methoxy-2-(methoxymethoxy)benzaldehyde	397421	"4-methoxy-2-(methoxymethoxy)benzaldehyde; 124555-63-1; Benzaldehyde, 4-methoxy-2-(methoxymethoxy)-; 2-(methoxymethoxy)-4-methoxybenzaldehyde; NSC705167; SCHEMBL3209556; CHEMBL1983493; DTXSID40327940; ZINC1863565; MFCD16622231; 4-methoxy-2-methoxymethoxybenzaldehyde; AKOS014313552; NSC-705167; 4-methoxy-2-methoxymethoxy benzaldehyde; DA-39244; NCI60_037578; FT-0725988"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705167	.	.	.	.	196.2	C10H12O4	44.8	172	1.3	14	0	4	5	"InChI=1S/C10H12O4/c1-12-7-14-10-5-9(13-2)4-3-8(10)6-11/h3-6H,7H2,1-2H3"	COCOC1=C(C=CC(=C1)OC)C=O	JJCXYLBDGWBBBP-UHFFFAOYSA-N
DG58690	Unk-DL-Pro-D-N(Me)Leu-Thr(1)-Unk-Leu-Pro-Tic-(1)	397427	ap5p197; CHEMBL262133; NSC705262; NSC-705262; NCI60_037582	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705262	.	.	.	.	1080.3	C56H85N7O14	279	2160	5.1	77	5	14	12	"InChI=1S/C56H85N7O14/c1-13-32(8)45-43(65)27-44(66)77-48(31(6)7)47(67)33(9)49(68)57-38(24-29(2)3)53(72)62-23-17-21-40(62)55(74)63-28-37-19-15-14-18-36(37)26-42(63)56(75)76-35(11)46(51(70)58-45)59-50(69)41(25-30(4)5)60(12)54(73)39-20-16-22-61(39)52(71)34(10)64/h14-15,18-19,29-35,38-43,45-46,48,64-65H,13,16-17,20-28H2,1-12H3,(H,57,68)(H,58,70)(H,59,69)/t32-,33-,34-,35+,38-,39 ,40-,41+,42-,43-,45+,46-,48-/m0/s1"	CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N3CC4=CC=CC=C4C[C@H]3C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)C5CCCN5C(=O)[C@H](C)O)C)CC(C)C)C)C(C)C)O	PIASWAFHPBKZPP-ATFCUGFSSA-N
DG58691	"3-Ethylsulfanyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5,10-dihydrobenzo[g]quinolin-2-one"	397435	NSC705293; CHEMBL1988228; NSC-705293; NCI60_037590	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705293	.	.	.	.	391.5	C24H25NO2S	54.8	660	4.3	28	0	3	5	"InChI=1S/C24H25NO2S/c1-4-28-23-16(2)21-13-18-7-5-6-8-19(18)14-22(21)25(24(23)26)15-17-9-11-20(27-3)12-10-17/h5-12H,4,13-15H2,1-3H3"	CCSC1=C(C2=C(CC3=CC=CC=C3C2)N(C1=O)CC4=CC=C(C=C4)OC)C	AXVJIKRFOIRHKR-UHFFFAOYSA-N
DG58692	3-Methoxy-1-[(4-methoxyphenyl)methyl]-4-methylbenzo[g]quinolin-2-one	397439	NSC705297; CHEMBL1993455; NSC-705297; NCI60_037594	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705297	.	.	.	.	359.4	C23H21NO3	38.8	578	4.3	27	0	3	4	"InChI=1S/C23H21NO3/c1-15-20-12-17-6-4-5-7-18(17)13-21(20)24(23(25)22(15)27-3)14-16-8-10-19(26-2)11-9-16/h4-13H,14H2,1-3H3"	CC1=C(C(=O)N(C2=CC3=CC=CC=C3C=C12)CC4=CC=C(C=C4)OC)OC	FNTGNQFZDRAANF-UHFFFAOYSA-N
DG58693	"[1-[(4-methoxyphenyl)methyl]-2-oxo-5H-indeno[1,2-b]pyridin-3-yl] trifluoromethanesulfonate"	397447	"NSC705305; CHEMBL1965806; SCHEMBL13037494; NSC-705305; [1-[(4-methoxyphenyl)methyl]-2-oxo-5H-indeno[1,2-b]pyridin-3-yl] trifluoromethanesulfonate; NCI60_037602"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705305	.	.	.	.	451.4	C21H16F3NO5S	81.3	882	4	31	0	8	5	"InChI=1S/C21H16F3NO5S/c1-29-16-8-6-13(7-9-16)12-25-19-15(10-14-4-2-3-5-17(14)19)11-18(20(25)26)30-31(27,28)21(22,23)24/h2-9,11H,10,12H2,1H3"	COC1=CC=C(C=C1)CN2C3=C(CC4=CC=CC=C43)C=C(C2=O)OS(=O)(=O)C(F)(F)F	HHDCRHGFWHOCQJ-UHFFFAOYSA-N
DG58694	"22-Thia-3,13-diazahexacyclo[13.6.1.01,13.02,10.04,9.015,20]docosa-2(10),4,6,8-tetraen-14-one"	397458	NSC705316; CHEMBL1967292; NSC-705316; NCI60_037613	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705316	.	.	.	.	324.4	C19H20N2OS	61.4	568	3.5	23	1	2	0	"InChI=1S/C19H20N2OS/c22-17-18-9-4-3-5-12(18)11-19(23-18)16-14(8-10-21(17)19)13-6-1-2-7-15(13)20-16/h1-2,6-7,12,20H,3-5,8-11H2"	C1CCC23C(C1)CC4(S2)C5=C(CCN4C3=O)C6=CC=CC=C6N5	IUDDMVGPYGGSEH-UHFFFAOYSA-N
DG58695	"7,8-Diphenyl-10-thia-8-azatricyclo[5.2.1.01,5]decan-9-one"	397460	NSC705318; CHEMBL1994153; NSC-705318; NCI60_037615	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705318	.	.	.	.	321.4	C20H19NOS	45.6	496	4.3	23	0	2	2	"InChI=1S/C20H19NOS/c22-18-19-13-7-10-16(19)14-20(23-19,15-8-3-1-4-9-15)21(18)17-11-5-2-6-12-17/h1-6,8-9,11-12,16H,7,10,13-14H2"	C1CC2CC3(N(C(=O)C2(C1)S3)C4=CC=CC=C4)C5=CC=CC=C5	HZNSFJWOZITKMB-UHFFFAOYSA-N
DG58696	"1-[2-(3,4-Dimethoxyphenyl)acetyl]-3a-methyl-2,3,4,6-tetrahydroindol-5-one"	397462	NSC705320; CHEMBL1977494; NSC-705320; NCI60_037617	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705320	.	.	.	.	329.4	C19H23NO4	55.8	544	1.8	24	0	4	4	"InChI=1S/C19H23NO4/c1-19-8-9-20(17(19)7-5-14(21)12-19)18(22)11-13-4-6-15(23-2)16(10-13)24-3/h4,6-7,10H,5,8-9,11-12H2,1-3H3"	CC12CCN(C1=CCC(=O)C2)C(=O)CC3=CC(=C(C=C3)OC)OC	KNAQWOKFHKHYGF-UHFFFAOYSA-N
DG58697	"Methyl 1-(6-bromo-1,3-benzodioxole-5-carbonyl)-2,3-dihydroindole-5-carboxylate"	397465	NSC705323; CHEMBL2001315; NSC-705323; NCI60_037620	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705323	.	.	.	.	404.2	C18H14BrNO5	65.099	544	3.3	25	0	5	3	"InChI=1S/C18H14BrNO5/c1-23-18(22)11-2-3-14-10(6-11)4-5-20(14)17(21)12-7-15-16(8-13(12)19)25-9-24-15/h2-3,6-8H,4-5,9H2,1H3"	COC(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C3=CC4=C(C=C3Br)OCO4	SKTMKSIVVBARAJ-UHFFFAOYSA-N
DG58698	"Methyl 5-[(6-bromo-1,3-benzodioxole-5-carbonyl)amino]furan-2-carboxylate"	397466	NSC705324; CHEMBL1978984; NSC-705324; NCI60_037621	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705324	.	.	.	.	368.14	C14H10BrNO6	87	447	2.8	22	1	6	4	"InChI=1S/C14H10BrNO6/c1-19-14(18)9-2-3-12(22-9)16-13(17)7-4-10-11(5-8(7)15)21-6-20-10/h2-5H,6H2,1H3,(H,16,17)"	COC(=O)C1=CC=C(O1)NC(=O)C2=CC3=C(C=C2Br)OCO3	PVOJIKDBPUNREY-UHFFFAOYSA-N
DG58699	tert-butyl N-(3-methylbut-3-enyl)-N-(4-propan-2-ylfuran-2-yl)carbamate	397468	NSC705326; CHEMBL1992985; NSC-705326; NCI60_037623	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705326	.	.	.	.	293.4	C17H27NO3	42.7	371	4.9	21	0	3	7	"InChI=1S/C17H27NO3/c1-12(2)8-9-18(16(19)21-17(5,6)7)15-10-14(11-20-15)13(3)4/h10-11,13H,1,8-9H2,2-7H3"	CC(C)C1=COC(=C1)N(CCC(=C)C)C(=O)OC(C)(C)C	RPKIMSLGSAWRJJ-UHFFFAOYSA-N
DG58700	"1H-Benzo[a]carbazole-1, 11-(2-nitrophenyl)-"	397482	"NSC705524; CHEMBL1970610; NSC-705524; NCI60_037641; 1H-Benzo[a]carbazole-1, 11-(2-nitrophenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705524	.	.	.	.	368.3	C22H12N2O4	84.9	714	4.4	28	0	4	1	InChI=1S/C22H12N2O4/c25-19-11-12-20(26)21-15(19)10-9-14-13-5-1-2-6-16(13)23(22(14)21)17-7-3-4-8-18(17)24(27)28/h1-12H	C1=CC=C2C(=C1)C3=C(N2C4=CC=CC=C4[N+](=O)[O-])C5=C(C=C3)C(=O)C=CC5=O	YIBYUJOLZABPHQ-UHFFFAOYSA-N
DG58701	Kuanoniamine C	397485	"Kuanoniamine C; 133401-12-4; N-[2-(4-thia-6,9,19-triazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1,3(7),5,8,10,12(20),13,15,17-nonaen-2-yl)ethyl]propanamide; Dercitamide; NSC705533; CHEMBL463916; SCHEMBL17243840; NSC-705533; SMP2_000225; NCI60_037644; Propanamide,3,2-mn]thiazolo[4,5-b]acridin-9-yl)ethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705533	.	.	.	.	374.5	C21H18N4OS	95.2	560	3.9	27	2	5	4	"InChI=1S/C21H18N4OS/c1-2-16(26)22-9-8-14-18-17-13(12-5-3-4-6-15(12)25-18)7-10-23-19(17)20-21(14)27-11-24-20/h3-7,10-11,25H,2,8-9H2,1H3,(H,22,26)"	CCC(=O)NCCC1=C2C3=C(C=CN=C3C4=C1SC=N4)C5=CC=CC=C5N2	OHRPKUDJMIHDKF-UHFFFAOYSA-N
DG58702	Faradiol	397486	"Faradiol; 20554-95-4; NSC705534; CHEMBL1977035; ZINC73257568; NSC-705534; NCI60_037645; Taraxast-20-ene-3.beta.,16.beta.-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705534	.	.	.	.	442.7	C30H50O2	40.5	814	7.5	32	2	2	0	"InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h11,19-25,31-32H,9-10,12-17H2,1-8H3/t19-,20-,21+,22-,23+,24+,25+,27+,28-,29-,30-/m1/s1"	C[C@H]1[C@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(C[C@@H]([C@]2(CC=C1C)C)O)C)C)(C)C)O)C	BNHIQKVOPNHQKO-ZPWDLUOLSA-N
DG58703	"N-(4-fluorophenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine"	397505	NSC705600; CHEMBL1980723; NSC-705600; NCI60_037663	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705600	.	.	.	.	272.3	C13H9FN4S	78.9	286	3	19	1	6	3	"InChI=1S/C13H9FN4S/c14-9-4-6-10(7-5-9)16-13-18-17-12(19-13)11-3-1-2-8-15-11/h1-8H,(H,16,18)"	C1=CC=NC(=C1)C2=NN=C(S2)NC3=CC=C(C=C3)F	DIPQPAZIRCTDMN-UHFFFAOYSA-N
DG58704	"[2-Amino-5-(1,3-benzothiazol-2-yl)phenyl]methanol"	397506	NSC-705627; NSC705627; CHEMBL135012; NCI60_037664	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705627	.	.	.	.	256.32	C14H12N2OS	87.4	289	3.2	18	2	4	2	"InChI=1S/C14H12N2OS/c15-11-6-5-9(7-10(11)8-17)14-16-12-3-1-2-4-13(12)18-14/h1-7,17H,8,15H2"	C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)CO	HKANFMMEESOKLQ-UHFFFAOYSA-N
DG58705	"(8R,9S,10R,13S,14S,17S)-17-acridin-9-yloxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one"	397510	NSC705636; CHEMBL2007538; NSC-705636; NCI60_037668	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705636	.	.	.	.	437.6	C30H31NO2	39.2	768	6.3	33	0	3	2	"InChI=1S/C30H31NO2/c32-19-10-12-20-18(17-19)9-11-22-21(20)13-14-24-23(22)15-16-29(24)33-30-25-5-1-3-7-27(25)31-28-8-4-2-6-26(28)30/h1-8,17,20-24,29H,9-16H2/t20-,21+,22+,23-,24-,29-/m0/s1"	C1C[C@H]2[C@@H](CC[C@@H]2OC3=C4C=CC=CC4=NC5=CC=CC=C53)[C@H]6[C@H]1[C@H]7CCC(=O)C=C7CC6	SLWDEDNZLAEPDP-UCHFDKSKSA-N
DG58706	"[(8R,9S,13S,14S,17S)-17-acridin-9-yloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate"	397512	NSC705638; CHEMBL1967444; NSC-705638; NCI60_037670	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705638	.	.	.	.	553.7	C38H35NO3	48.4	940	8.4	42	0	4	5	"InChI=1S/C38H35NO3/c1-38-22-21-28-27-18-16-26(41-37(40)24-9-3-2-4-10-24)23-25(27)15-17-29(28)32(38)19-20-35(38)42-36-30-11-5-7-13-33(30)39-34-14-8-6-12-31(34)36/h2-14,16,18,23,28-29,32,35H,15,17,19-22H2,1H3/t28-,29-,32+,35+,38+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4=C5C=CC=CC5=NC6=CC=CC=C64)CCC7=C3C=CC(=C7)OC(=O)C8=CC=CC=C8	AZHBEUUCGUQLBZ-IERQGPEBSA-N
DG58707	"3,3'-Biisoquinoline, 5,5',6,6',7,7',8,8'-octahydro-1,1'-bis(methylsulfonyl)-"	397515	"NSC705813; Oprea1_382658; CHEMBL1980536; DTXSID40327945; ZINC5582916; NSC-705813; 3,3'-Biisoquinoline, 5,5',6,6',7,7',8,8'-octahydro-1,1'-bis(methylsulfonyl)-; 287102-80-1; NCI60_037674; 1,1'-Bis(methylsulfonyl)-5,5',6,6',7,7',8,8'-octahydro-3,3'-biisoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705813	.	.	.	.	420.5	C20H24N2O4S2	111	705	3.4	28	0	6	3	"InChI=1S/C20H24N2O4S2/c1-27(23,24)19-15-9-5-3-7-13(15)11-17(21-19)18-12-14-8-4-6-10-16(14)20(22-18)28(2,25)26/h11-12H,3-10H2,1-2H3"	CS(=O)(=O)C1=C2CCCCC2=CC(=N1)C3=NC(=C4CCCCC4=C3)S(=O)(=O)C	CNKBELNNPXLYDZ-UHFFFAOYSA-N
DG58708	"1-(Methylsulfonyl)-3-[1-(methylsulfonyl)-6,7-dihydro-5H-2-pyrindine-3-yl]-5,6,7,8-tetrahydroisoquinoline"	397516	"NSC705814; CHEMBL1990763; NSC-705814; NCI60_037675; 1-(Methylsulfonyl)-3-[1-(methylsulfonyl)-6,7-dihydro-5H-2-pyrindine-3-yl]-5,6,7,8-tetrahydroisoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705814	.	.	.	.	406.5	C19H22N2O4S2	111	756	2.8	27	0	6	3	"InChI=1S/C19H22N2O4S2/c1-26(22,23)18-14-8-4-3-6-12(14)10-16(20-18)17-11-13-7-5-9-15(13)19(21-17)27(2,24)25/h10-11H,3-9H2,1-2H3"	CS(=O)(=O)C1=C2CCCCC2=CC(=N1)C3=NC(=C4CCCC4=C3)S(=O)(=O)C	NEOZMSIJMYBJTJ-UHFFFAOYSA-N
DG58709	"1-(Methylsulfonyl)-3-[1-(methylsulfonyl)-5,6,7,8-tetrahydroisoquinoline-3-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine"	397517	"NSC705815; Oprea1_159666; CHEMBL1999426; ZINC5582920; NSC-705815; NCI60_037676; 1-(Methylsulfonyl)-3-[1-(methylsulfonyl)-5,6,7,8-tetrahydroisoquinoline-3-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705815	.	.	.	.	434.6	C21H26N2O4S2	111	787	3.9	29	0	6	3	"InChI=1S/C21H26N2O4S2/c1-28(24,25)20-16-10-5-3-4-8-14(16)12-18(22-20)19-13-15-9-6-7-11-17(15)21(23-19)29(2,26)27/h12-13H,3-11H2,1-2H3"	CS(=O)(=O)C1=C2CCCCCC2=CC(=N1)C3=NC(=C4CCCCC4=C3)S(=O)(=O)C	UGDJADAZOSKABS-UHFFFAOYSA-N
DG58710	"1-(Methylthio)-3-[3-(methylthio)-1,2,4-triazine-5-yl]-6,7-dihydro-5H-2-pyrindine"	397518	"NSC705816; CHEMBL1973403; NSC-705816; NCI60_037677; 1-(Methylthio)-3-[3-(methylthio)-1,2,4-triazine-5-yl]-6,7-dihydro-5H-2-pyrindine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705816	.	.	.	.	290.4	C13H14N4S2	102	304	2.3	19	0	6	3	"InChI=1S/C13H14N4S2/c1-18-12-9-5-3-4-8(9)6-10(15-12)11-7-14-17-13(16-11)19-2/h6-7H,3-5H2,1-2H3"	CSC1=C2CCCC2=CC(=N1)C3=CN=NC(=N3)SC	DTZBOGHULNJXNW-UHFFFAOYSA-N
DG58711	"1-(Methylsulfonyl)-3-[1-(methylsulfonyl)-6,7-dihydro-5H-2-pyrindine-3-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine"	397521	"NSC705819; CHEMBL2002230; NSC-705819; NCI60_037680; 1-(Methylsulfonyl)-3-[1-(methylsulfonyl)-6,7-dihydro-5H-2-pyrindine-3-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705819	.	.	.	.	420.5	C20H24N2O4S2	111	771	3.4	28	0	6	3	"InChI=1S/C20H24N2O4S2/c1-27(23,24)19-15-9-5-3-4-7-13(15)11-17(21-19)18-12-14-8-6-10-16(14)20(22-18)28(2,25)26/h11-12H,3-10H2,1-2H3"	CS(=O)(=O)C1=C2CCCCCC2=CC(=N1)C3=NC(=C4CCCC4=C3)S(=O)(=O)C	AJTSQQMDVGVWAK-UHFFFAOYSA-N
DG58712	"4-(1,2-Dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)morpholine"	397534	NSC705842; CHEMBL1988745; NSC-705842; NCI60_037688	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705842	.	.	.	.	259.35	C15H21N3O	28.1	338	1.2	19	0	3	1	"InChI=1S/C15H21N3O/c1-12-11-15(18-7-9-19-10-8-18)16-13-5-3-4-6-14(13)17(12)2/h3-6,12H,7-11H2,1-2H3"	CC1CC(=NC2=CC=CC=C2N1C)N3CCOCC3	DDNSMEARAVWPQS-UHFFFAOYSA-N
DG58713	"(1,3-Dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)hydrazine"	397539	NSC705847; CHEMBL1965088; NSC-705847; NCI60_037693	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705847	.	.	.	.	204.27	C11H16N4	53.6	251	0.8	15	2	3	1	"InChI=1S/C11H16N4/c1-8-7-15(2)10-6-4-3-5-9(10)13-11(8)14-12/h3-6,8H,7,12H2,1-2H3,(H,13,14)"	CC1CN(C2=CC=CC=C2N=C1NN)C	WYBXHOWQCVZZQS-UHFFFAOYSA-N
DG58714	"2,4-Bis(1-methylindol-3-yl)-1,3-thiazole"	397547	NSC705867; CHEMBL1981682; NSC-705867; NCI60_037707	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705867	.	.	.	.	343.4	C21H17N3S	51	486	4.4	25	0	2	2	"InChI=1S/C21H17N3S/c1-23-11-16(14-7-3-5-9-19(14)23)18-13-25-21(22-18)17-12-24(2)20-10-6-4-8-15(17)20/h3-13H,1-2H3"	CN1C=C(C2=CC=CC=C21)C3=CSC(=N3)C4=CN(C5=CC=CC=C54)C	HYQSUQWRBUUGKP-UHFFFAOYSA-N
DG58715	"2-(1H-indol-3-yl)-4-(6-methoxy-1H-indol-3-yl)-1,3-thiazole"	397548	NSC705868; CHEMBL2003288; NSC-705868; NCI60_037708	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705868	.	.	.	.	345.4	C20H15N3OS	81.9	478	4.5	25	2	3	3	"InChI=1S/C20H15N3OS/c1-24-12-6-7-14-15(9-22-18(14)8-12)19-11-25-20(23-19)16-10-21-17-5-3-2-4-13(16)17/h2-11,21-22H,1H3"	COC1=CC2=C(C=C1)C(=CN2)C3=CSC(=N3)C4=CNC5=CC=CC=C54	RLPBSUWTWVVFHI-UHFFFAOYSA-N
DG58716	"2-(5-bromo-1H-indol-3-yl)-4-(6-bromo-1H-indol-3-yl)-1,3-thiazole"	397549	NSC705869; CHEMBL1996322; NSC-705869; NCI60_037709	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705869	.	.	.	.	473.2	C19H11Br2N3S	72.7	495	5.9	25	2	2	2	"InChI=1S/C19H11Br2N3S/c20-10-2-4-16-13(5-10)15(8-22-16)19-24-18(9-25-19)14-7-23-17-6-11(21)1-3-12(14)17/h1-9,22-23H"	C1=CC2=C(C=C1Br)NC=C2C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)Br	OODMECCQRIFICR-UHFFFAOYSA-N
DG58717	"4-(5-bromo-1H-indol-3-yl)-2-(6-bromo-1H-indol-3-yl)-1,3-thiazole"	397550	NSC705870; CHEMBL1979476; NSC-705870; NCI60_037710	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705870	.	.	.	.	473.2	C19H11Br2N3S	72.7	495	5.9	25	2	2	2	"InChI=1S/C19H11Br2N3S/c20-10-2-4-16-13(5-10)14(7-22-16)18-9-25-19(24-18)15-8-23-17-6-11(21)1-3-12(15)17/h1-9,22-23H"	C1=CC2=C(C=C1Br)NC=C2C3=NC(=CS3)C4=CNC5=C4C=C(C=C5)Br	JTEGNPNFMRHPOS-UHFFFAOYSA-N
DG58718	"1H-Indole, 5-bromo-3-[2-(2-pyridinyl)-4-thiazolyl]-"	397551	"NSC705871; CHEMBL1993214; NSC-705871; NCI60_037711; 1H-Indole, 5-bromo-3-[2-(2-pyridinyl)-4-thiazolyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705871	.	.	.	.	356.2	C16H10BrN3S	69.8	369	4.1	21	1	3	2	"InChI=1S/C16H10BrN3S/c17-10-4-5-13-11(7-10)12(8-19-13)15-9-21-16(20-15)14-3-1-2-6-18-14/h1-9,19H"	C1=CC=NC(=C1)C2=NC(=CS2)C3=CNC4=C3C=C(C=C4)Br	KOYYFXGVZHRNHN-UHFFFAOYSA-N
DG58719	"3-(3,4-Dihydroxyphenyl)-2-[(4-methylphenyl)sulfonylcarbamoylamino]propanoic acid"	397553	NSC705873; CHEMBL1966389; NSC-705873; NCI60_037713	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705873	.	.	.	.	394.4	C17H18N2O7S	161	626	1.7	27	5	7	6	"InChI=1S/C17H18N2O7S/c1-10-2-5-12(6-3-10)27(25,26)19-17(24)18-13(16(22)23)8-11-4-7-14(20)15(21)9-11/h2-7,9,13,20-21H,8H2,1H3,(H,22,23)(H2,18,19,24)"	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)O	IKSMLHMJHFMLOT-UHFFFAOYSA-N
DG58720	"1,1-Diphenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]urea"	397554	NSC705874; CHEMBL523796; NSC-705874; NCI60_037714	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705874	.	.	.	.	522.6	C25H22N4O5S2	155	901	2.4	36	3	7	7	"InChI=1S/C25H22N4O5S2/c26-35(31,32)23-15-13-20(14-16-23)28-36(33,34)24-17-11-19(12-18-24)27-25(30)29(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-18,28H,(H,27,30)(H2,26,31,32)"	C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)S(=O)(=O)N	KVPJTUZDUWRZHQ-UHFFFAOYSA-N
DG58721	N-(4-Sulfamoylphenyl)-4-ureidobenzenesulfonamide	397555	CHEMBL120304; NSC705875; BDBM50211832; NSC-705875; NCI60_037715; N-(4-Sulfamoylphenyl)-4-ureidobenzenesulfonamide; 4-[(aminocarbonyl)amino]-N-[4-(aminosulfonyl)phenyl]benzenesulfonamide; 4-[(aminocarbonyl)amino]-N-[4-(aminosulfonyl)phenyl]benzenesulfonamide(SCO)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705875	.	.	.	.	370.4	C13H14N4O5S2	178	637	-0.1	24	4	7	5	"InChI=1S/C13H14N4O5S2/c14-13(18)16-9-1-7-12(8-2-9)24(21,22)17-10-3-5-11(6-4-10)23(15,19)20/h1-8,17H,(H3,14,16,18)(H2,15,19,20)"	C1=CC(=CC=C1NC(=O)N)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N	DNJKYTRZNPUEST-UHFFFAOYSA-N
DG58722	"N-[4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]methanesulfonamide;hydrochloride"	397557	NSC705885; CHEMBL1984021; NSC-705885	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705885	.	.	.	.	388.9	C18H17ClN4O2S	91	861	.	26	4	6	4	"InChI=1S/C18H16N4O2S.ClH/c1-25(23,24)22-13-4-2-12(3-5-13)21-17-9-11-20-16-7-6-15-14(18(16)17)8-10-19-15;/h2-11,20-22H,1H3;1H"	CS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C4=CC=NC4=CC=C3NC=C2.Cl	XYZSIZKUYHPFFV-UHFFFAOYSA-N
DG58723	"N-[3-methoxy-4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]methanesulfonamide;hydrochloride"	397559	NSC705886; CHEMBL1987635; NSC-705886	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705886	.	.	.	.	418.9	C19H19ClN4O3S	100	919	.	28	4	7	5	"InChI=1S/C19H18N4O3S.ClH/c1-26-18-11-12(23-27(2,24)25)3-4-15(18)22-17-8-10-21-16-6-5-14-13(19(16)17)7-9-20-14;/h3-11,21-23H,1-2H3;1H"	COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C4=CC=NC4=CC=C3NC=C2.Cl	PLPZACPDWATGMX-UHFFFAOYSA-N
DG58724	"N-[4-[(7-methyl-6H-pyrrolo[3,2-f]quinolin-9-yl)amino]phenyl]methanesulfonamide;hydrochloride"	397561	NSC705887; CHEMBL1988084; NSC-705887	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705887	.	.	.	.	402.9	C19H19ClN4O2S	91	906	.	27	4	6	4	"InChI=1S/C19H18N4O2S.ClH/c1-12-11-18(19-15-9-10-20-16(15)7-8-17(19)21-12)22-13-3-5-14(6-4-13)23-26(2,24)25;/h3-11,21-23H,1-2H3;1H"	CC1=CC(=C2C3=CC=NC3=CC=C2N1)NC4=CC=C(C=C4)NS(=O)(=O)C.Cl	SSMFDFPFVQHYMB-UHFFFAOYSA-N
DG58725	NSC705889	397565	"N-[4-(3,7,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride; NSC705889; CHEMBL1994676; NSC-705889"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705889	.	.	.	.	400.9	C19H17ClN4O2S	82.2	952	.	27	3	6	3	"InChI=1S/C19H16N4O2S.ClH/c1-26(24,25)22-13-2-4-14(5-3-13)23-11-12-10-21-15-6-7-16-19(18(12)15)17(23)8-9-20-16;/h2-10,20,22H,11H2,1H3;1H"	CS(=O)(=O)NC1=CC=C(C=C1)N2CC3=C4C(=CC=C5C4=C2C=CN5)N=C3.Cl	HKXWSIHMHSJPFV-UHFFFAOYSA-N
DG58726	NSC705891	397569	"N-[4-(6-methyl-3,7,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride; NSC705891; CHEMBL1999494; NSC-705891"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705891	.	.	.	.	414.9	C20H19ClN4O2S	82.2	997	.	28	3	6	3	"InChI=1S/C20H18N4O2S.ClH/c1-12-9-18-20-17(22-12)8-7-16-19(20)13(10-21-16)11-24(18)15-5-3-14(4-6-15)23-27(2,25)26;/h3-10,22-23H,11H2,1-2H3;1H"	CC1=CC2=C3C(=CC=C4C3=C(CN2C5=CC=C(C=C5)NS(=O)(=O)C)C=N4)N1.Cl	WPUKINWYCJBAAJ-UHFFFAOYSA-N
DG58727	3-(Indolizine-2-yl)-2H-1-benzopyran-2-one	397574	NSC705894; CHEMBL1964506; NSC-705894; NCI60_037726; 3-(Indolizine-2-yl)-2H-1-benzopyran-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705894	.	.	.	.	261.269	C17H11NO2	30.7	431	4.1	20	0	2	1	InChI=1S/C17H11NO2/c19-17-15(10-12-5-1-2-7-16(12)20-17)13-9-14-6-3-4-8-18(14)11-13/h1-11H	C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=CC=CC4=C3	XFCXTAUASKZNKO-UHFFFAOYSA-N
DG58728	"2-(imidazo[2,1-b][1,3]benzothiazol-2-yl)-3H-benzo[f]chromen-3-one"	397577	"NSC705897; CHEMBL1986038; ZINC856320; STK054773; AKOS000512039; MCULE-8210262029; NSC-705897; NCI60_037729; 2-(imidazo[2,1-b][1,3]benzothiazol-2-yl)-3H-benzo[f]chromen-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705897	.	.	.	.	368.4	C22H12N2O2S	71.8	652	6.2	27	0	4	1	InChI=1S/C22H12N2O2S/c25-21-16(11-15-14-6-2-1-5-13(14)9-10-19(15)26-21)17-12-24-18-7-3-4-8-20(18)27-22(24)23-17/h1-12H	C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=CN5C6=CC=CC=C6SC5=N4	YGHDONGSZKOBGS-UHFFFAOYSA-N
DG58729	"(9R)-9,10-dimethyl-11-oxo-N-pyridin-2-yl-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide"	397578	NSC705898; CHEMBL1974387; NSC-705898; NCI60_037730	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705898	.	.	.	.	337.4	C19H19N3O3	71.5	554	2	25	1	4	2	"InChI=1S/C19H19N3O3/c1-19-11-13(12-7-3-4-8-14(12)25-19)16(18(24)22(19)2)17(23)21-15-9-5-6-10-20-15/h3-10,13,16H,11H2,1-2H3,(H,20,21,23)/t13 ,16 ,19-/m1/s1"	C[C@@]12CC(C(C(=O)N1C)C(=O)NC3=CC=CC=N3)C4=CC=CC=C4O2	FBASSRSUKFUAQB-NSRCDFIJSA-N
DG58730	"(9R)-N-(1-adamantyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide"	397579	NSC705899; CHEMBL1965841; NSC-705899; NCI60_037731	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705899	.	.	.	.	380.5	C23H28N2O3	67.4	665	3.7	28	2	3	2	"InChI=1S/C23H28N2O3/c1-22-12-17(16-4-2-3-5-18(16)28-22)19(20(26)24-22)21(27)25-23-9-13-6-14(10-23)8-15(7-13)11-23/h2-5,13-15,17,19H,6-12H2,1H3,(H,24,26)(H,25,27)/t13 ,14 ,15 ,17 ,19 ,22-,23 /m1/s1"	C[C@@]12CC(C(C(=O)N1)C(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6O2	RHWLBKOVCMUYOM-AURXRZFLSA-N
DG58731	"2-(1-adamantyl)-3H-chromeno[3,4-c]pyridine-4,5-dione"	397581	NSC705901; CHEMBL1972767; NSC-705901; NCI60_037733	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705901	.	.	.	.	347.4	C22H21NO3	55.4	720	3.9	26	1	3	1	"InChI=1S/C22H21NO3/c24-20-19-16(15-3-1-2-4-17(15)26-21(19)25)8-18(23-20)22-9-12-5-13(10-22)7-14(6-12)11-22/h1-4,8,12-14H,5-7,9-11H2,(H,23,24)"	C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C(=O)N4)C(=O)OC6=CC=CC=C65	DBGDBAKUONXXJW-UHFFFAOYSA-N
DG58732	"16-Oxo-2-oxa-15-azatetracyclo[7.5.3.01,10.03,8]heptadeca-3,5,7-triene-17-carbonitrile"	397582	NSC705902; CHEMBL1975169; NSC-705902; NCI60_037734	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705902	.	.	.	.	268.31	C16H16N2O2	62.1	482	2.4	20	1	3	0	"InChI=1S/C16H16N2O2/c17-9-11-14-10-5-1-2-7-13(10)20-16(18-15(11)19)8-4-3-6-12(14)16/h1-2,5,7,11-12,14H,3-4,6,8H2,(H,18,19)"	C1CCC23C(C1)C(C(C(=O)N2)C#N)C4=CC=CC=C4O3	QPSGPLZSTSIZEV-UHFFFAOYSA-N
DG58733	"2-[[4-(4-Bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetic acid"	397586	"NSC705927; Oprea1_759875; CHEMBL1971748; STK524933; AKOS005458740; NSC-705927; {[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetic acid; 2-[[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetic acid; NCI60_037738; ((4-(4-Bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinyl)thio)acetic acid; 303088-71-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705927	.	.	.	.	447.3	C20H19BrN2O3S	116	769	3.8	27	2	6	4	"InChI=1S/C20H19BrN2O3S/c1-20(2)7-14-18(15(24)8-20)17(11-3-5-12(21)6-4-11)13(9-22)19(23-14)27-10-16(25)26/h3-6,17,23H,7-8,10H2,1-2H3,(H,25,26)"	CC1(CC2=C(C(C(=C(N2)SCC(=O)O)C#N)C3=CC=C(C=C3)Br)C(=O)C1)C	HTRIYXWEWDJQMO-UHFFFAOYSA-N
DG58734	"[5-[2-(3,4-Dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methyl-1-benzofuran-2-yl]-phenylmethanone"	397589	NSC705930; CHEMBL2000444; NSC-705930; NCI60_037741	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705930	.	.	.	.	549.6	C33H27NO5S	107	907	7.1	40	1	7	6	"InChI=1S/C33H27NO5S/c1-19-22-16-23(26(35)18-28(22)39-33(19)32(36)20-9-5-4-6-10-20)25-17-31(40-30-12-8-7-11-24(30)34-25)21-13-14-27(37-2)29(15-21)38-3/h4-16,18,31,35H,17H2,1-3H3"	CC1=C(OC2=CC(=C(C=C12)C3=NC4=CC=CC=C4SC(C3)C5=CC(=C(C=C5)OC)OC)O)C(=O)C6=CC=CC=C6	YPHWOVFZTOULOO-UHFFFAOYSA-N
DG58735	NSC705931	397590	"[(2R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[2-[4-[2-[4-[[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-yl]oxyethyl]piperazin-1-yl]ethoxy]quinolin-4-yl]methanol; NSC705931; CHEMBL2000852; NSC-705931; NCI60_037742"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705931	.	.	.	.	763	C46H62N6O4	97.7	1150	5.8	56	2	10	14	"InChI=1S/C46H62N6O4/c1-3-31-29-51-15-11-33(31)25-43(51)45(53)37-9-13-47-41-7-5-35(27-39(37)41)55-23-21-49-17-19-50(20-18-49)22-24-56-36-6-8-42-40(28-36)38(10-14-48-42)46(54)44-26-34-12-16-52(44)30-32(34)4-2/h5-10,13-14,27-28,31-34,43-46,53-54H,3-4,11-12,15-26,29-30H2,1-2H3/t31-,32+,33-,34 ,43-,44+,45 ,46 /m0/s1"	CC[C@H]1CN2CC[C@H]1C[C@H]2C(C3=C4C=C(C=CC4=NC=C3)OCCN5CCN(CC5)CCOC6=CC7=C(C=CN=C7C=C6)C([C@H]8CC9CCN8C[C@H]9CC)O)O	RIDAKPSCGYLUOB-VLSFUPFOSA-N
DG58736	"4,6-Ditert-butyl-7-hydroxy-1,3-benzoxathiole-2-thione"	397596	NSC705937; CHEMBL1966059; NSC-705937; NCI60_037748	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705937	.	.	.	.	296.5	C15H20O2S2	86.8	367	5.8	19	1	4	2	"InChI=1S/C15H20O2S2/c1-14(2,3)8-7-9(15(4,5)6)12-11(10(8)16)17-13(18)19-12/h7,16H,1-6H3"	CC(C)(C)C1=CC(=C2C(=C1O)OC(=S)S2)C(C)(C)C	DDCROOLEUJDVKN-UHFFFAOYSA-N
DG58737	"2-[5-[(5,6-Dihydro-1,3-dithiolo[4,5-b][1,4]dithiin)-2-ylidenemethyl]thiophen-2-ylmethylene]malononitrile"	397600	"NSC705941; CHEMBL1983446; NSC-705941; NCI60_037752; 2-[5-[(5,6-Dihydro-1,3-dithiolo[4,5-b][1,4]dithiin)-2-ylidenemethyl]thiophen-2-ylmethylene]malononitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705941	.	.	.	.	364.6	C14H8N2S5	177	592	4.4	21	0	7	2	"InChI=1S/C14H8N2S5/c15-7-9(8-16)5-10-1-2-11(19-10)6-12-20-13-14(21-12)18-4-3-17-13/h1-2,5-6H,3-4H2"	C1CSC2=C(S1)SC(=CC3=CC=C(S3)C=C(C#N)C#N)S2	LUBSUCOEWLYESD-UHFFFAOYSA-N
DG58738	"Phosphine, 1,2-ethanediylbis[bis[2-(methylthio)phenyl]-"	397601	"1,2-Bis[bis(2-methylthiophenyl)phosphino]ethane; NSC705942; Phosphine, 1,2-ethanediylbis[bis[2-(methylthio)phenyl]-; 99346-83-5; CHEMBL71747; SCHEMBL10494076; DTXSID20327948; NSC-705942; NCI60_037753; Ethylenebis[bis[o-(methylthio)phenyl]phosphine]; Ethane,2-bis[bis[2-(methylthio)phenyl]phosphino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705942	.	.	.	.	582.8	C30H32P2S4	101	522	7.9	36	0	4	11	"InChI=1S/C30H32P2S4/c1-33-27-17-9-5-13-23(27)31(24-14-6-10-18-28(24)34-2)21-22-32(25-15-7-11-19-29(25)35-3)26-16-8-12-20-30(26)36-4/h5-20H,21-22H2,1-4H3"	CSC1=CC=CC=C1P(CCP(C2=CC=CC=C2SC)C3=CC=CC=C3SC)C4=CC=CC=C4SC	JXRFSPHGORBIOI-UHFFFAOYSA-N
DG58739	"(2R,3R,6R)-6-(2-hydroxyphenyl)sulfanyl-2,3-diphenyl-1,4-dioxaspiro[4.5]dec-9-en-8-one"	397604	MLS002702476; NSC705945; CHEMBL1708706; NSC-705945; NCI60_037756; SMR001566037	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705945	.	.	.	.	430.5	C26H22O4S	81.1	626	4.5	31	1	5	4	"InChI=1S/C26H22O4S/c27-20-15-16-26(23(17-20)31-22-14-8-7-13-21(22)28)29-24(18-9-3-1-4-10-18)25(30-26)19-11-5-2-6-12-19/h1-16,23-25,28H,17H2/t23-,24-,25-/m1/s1"	C1[C@H](C2(C=CC1=O)O[C@@H]([C@H](O2)C3=CC=CC=C3)C4=CC=CC=C4)SC5=CC=CC=C5O	MVOSDBCIDUUTEH-UBFVSLLYSA-N
DG58740	NSC705948	397607	"3-Methylsulfanyl-2-[3-methylsulfanyl-5-[4-methylsulfanyl-5-(3-methylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-[4-methylsulfanyl-5-(3-methylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene; NSC705948; CHEMBL1996167; NSC-705948; NCI60_037759; 3,3',3''',3''''',4'',4''''-Hexakis(methylthio)-2,2':5',2'':5'',2''':5''',2'''':5'''',2'''''-sexithiophene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705948	.	.	.	.	771.3	C30H26S12	321	796	11.6	42	0	12	11	"InChI=1S/C30H26S12/c1-31-15-7-9-37-25(15)27-21(33-3)11-17(39-27)19-13-23(35-5)29(41-19)30-24(36-6)14-20(42-30)18-12-22(34-4)28(40-18)26-16(32-2)8-10-38-26/h7-14H,1-6H3"	CSC1=C(SC=C1)C2=C(C=C(S2)C3=CC(=C(S3)C4=C(C=C(S4)C5=CC(=C(S5)C6=C(C=CS6)SC)SC)SC)SC)SC	OTZXZPQSNKJFFH-UHFFFAOYSA-N
DG58741	NSC705954	397612	"1,3,5-Trimethyl-2-[2-[(2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl)-[2-[(1,3,5-trimethyl-4,6-dioxo-1,3,5,2-triazaphosphinan-2-yl)oxy]ethyl]amino]ethoxy]-1,3,5,2-triazaphosphinane-4,6-dione; NSC705954; CHEMBL1975186; NSC-705954; NCI60_037764"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705954	.	.	.	.	570.4	C17H33N8O8P3	148	830	-2.1	36	1	10	9	"InChI=1S/C17H33N8O8P3/c1-19-14(26)21(3)34(22(4)15(19)27)31-12-9-25(36(30)18-8-7-11-33-36)10-13-32-35-23(5)16(28)20(2)17(29)24(35)6/h7-13H2,1-6H3,(H,18,30)"	CN1C(=O)N(P(N(C1=O)C)OCCN(CCOP2N(C(=O)N(C(=O)N2C)C)C)P3(=O)NCCCO3)C	WAXGHHFWBJKGTR-UHFFFAOYSA-N
DG58742	2-amino-N'-phenylbenzenecarboximidamide	397632	"951-48-4; benzenecarboximidamide,2-amino-n-phenyl-; 2-amino-N'-phenylbenzenecarboximidamide; 2-Amino-N'-phenylbenzamidine; NSC705995; N'-Phenyl-2-aminobenzamidine; CHEMBL1971326; DTXSID80327949; ZINC5582953; NSC-705995; NCI60_037769"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705995	.	.	.	.	211.26	C13H13N3	64.4	244	2.5	16	2	2	2	"InChI=1S/C13H13N3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9H,14H2,(H2,15,16)"	C1=CC=C(C=C1)N=C(C2=CC=CC=C2N)N	PUIHDSWBMBOMPS-UHFFFAOYSA-N
DG58743	N'-(4-Chlorophenyl)-2-aminobenzamidine	397635	NSC705998; CHEMBL2006713; SCHEMBL21379768; NSC-705998; N'-(4-Chlorophenyl)-2-aminobenzamidine; NCI60_037772	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705998	.	.	.	.	245.71	C13H12ClN3	64.4	272	3.1	17	2	2	2	"InChI=1S/C13H12ClN3/c14-9-5-7-10(8-6-9)17-13(16)11-3-1-2-4-12(11)15/h1-8H,15H2,(H2,16,17)"	C1=CC=C(C(=C1)C(=NC2=CC=C(C=C2)Cl)N)N	CGJRUFXWBGNNJB-UHFFFAOYSA-N
DG58744	"2-amino-N'-(3,4-dichlorophenyl)benzenecarboximidamide"	397636	NSC705999; CHEMBL1976368; NSC-705999; NCI60_037773	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705999	.	.	.	.	280.15	C13H11Cl2N3	64.4	309	3.8	18	2	2	2	"InChI=1S/C13H11Cl2N3/c14-10-6-5-8(7-11(10)15)18-13(17)9-3-1-2-4-12(9)16/h1-7H,16H2,(H2,17,18)"	C1=CC=C(C(=C1)C(=NC2=CC(=C(C=C2)Cl)Cl)N)N	HSTCNHYIVMLVLC-UHFFFAOYSA-N
DG58745	"2-[3-[4-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]butylamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide"	397637	NSC706000; CHEMBL2002168; NSC-706000	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706000	.	.	.	.	643.6	C34H35BrN4O4	98.8	864	.	43	3	6	13	"InChI=1S/C34H34N4O4.BrH/c39-31-25-13-3-9-23-10-4-14-26(29(23)25)32(40)37(31)21-7-19-35-17-1-2-18-36-20-8-22-38-33(41)27-15-5-11-24-12-6-16-28(30(24)27)34(38)42;/h3-6,9-16,35-36H,1-2,7-8,17-22H2;1H"	C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCNCCCCNCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O.Br	VNYATEIBBXMKES-UHFFFAOYSA-N
DG58746	"2-[3-[2-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]oxyethoxyamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide"	397639	NSC706001; CHEMBL2007145; NSC-706001	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706001	.	.	.	.	647.5	C32H31BrN4O6	117	870	.	43	3	8	13	"InChI=1S/C32H30N4O6.BrH/c37-29-23-11-1-7-21-8-2-12-24(27(21)23)30(38)35(29)17-5-15-33-41-19-20-42-34-16-6-18-36-31(39)25-13-3-9-22-10-4-14-26(28(22)25)32(36)40;/h1-4,7-14,33-34H,5-6,15-20H2;1H"	C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCNOCCONCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O.Br	KAYJZXOGLLKVOQ-UHFFFAOYSA-N
DG58747	NSC706002	397641	"2-[3-[3-[4-[3-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]propylamino]butylamino]propylamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide; NSC706002; CHEMBL1999026; NSC-706002"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706002	.	.	.	.	757.8	C40H49BrN6O4	123	989	.	51	5	8	21	"InChI=1S/C40H48N6O4.BrH/c47-37-31-15-3-11-29-12-4-16-32(35(29)31)38(48)45(37)27-9-25-43-23-7-21-41-19-1-2-20-42-22-8-24-44-26-10-28-46-39(49)33-17-5-13-30-14-6-18-34(36(30)33)40(46)50;/h3-6,11-18,41-44H,1-2,7-10,19-28H2;1H"	C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCNCCCNCCCCNCCCNCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O.Br	QZXKAVHAVUXMDZ-UHFFFAOYSA-N
DG58748	Bisnaphthalimidopropyl spermidine trihydrobromide	397643	NSC706003; CHEMBL1098885; NSC-706003; Bisnaphthalimidopropyl spermidine trihydrobromide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706003	.	.	.	.	700.7	C37H42BrN5O4	111	1010	.	47	4	7	17	"InChI=1S/C37H41N5O4.BrH/c43-34-28-14-3-10-26-11-4-15-29(32(26)28)35(44)41(34)24-8-22-39-19-2-1-18-38-20-7-21-40-23-9-25-42-36(45)30-16-5-12-27-13-6-17-31(33(27)30)37(42)46;/h3-6,10-17,38-40H,1-2,7-9,18-25H2;1H"	C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCNCCCCNCCCNCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O.Br	GPNBTIDIHYXYID-UHFFFAOYSA-N
DG58749	"1-(Benzimidazol-1-ylsulfonyl)-3-(4-methyl-1,3-benzothiazol-2-yl)urea"	397676	NSC706038; CHEMBL1982297; NSC-706038; NCI60_037811	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706038	.	.	.	.	387.4	C16H13N5O3S2	143	640	3.7	26	2	6	3	"InChI=1S/C16H13N5O3S2/c1-10-5-4-8-13-14(10)18-16(25-13)19-15(22)20-26(23,24)21-9-17-11-6-2-3-7-12(11)21/h2-9H,1H3,(H2,18,19,20,22)"	CC1=C2C(=CC=C1)SC(=N2)NC(=O)NS(=O)(=O)N3C=NC4=CC=CC=C43	DIORWCKGVSTKSA-UHFFFAOYSA-N
DG58750	"1,3,3-Trimethyl-2-methylidene-5-(1,3,3-trimethyl-2-methylideneindol-5-yl)sulfonylindole"	397681	NSC706043; CHEMBL2001660; NSC-706043; NCI60_037816	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706043	.	.	.	.	408.6	C24H28N2O2S	49	760	5.7	29	0	4	2	"InChI=1S/C24H28N2O2S/c1-15-23(3,4)19-13-17(9-11-21(19)25(15)7)29(27,28)18-10-12-22-20(14-18)24(5,6)16(2)26(22)8/h9-14H,1-2H2,3-8H3"	CC1(C(=C)N(C2=C1C=C(C=C2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=C)C4(C)C)C)C)C	KZCOEVFPCUHFIU-UHFFFAOYSA-N
DG58751	11-Ethylpaullone	397719	"CHEMBL317150; 11-ethylpaullone; NSC706122; Paullone Analog 27; BDBM7288; SCHEMBL5688256; ZINC1656544; NSC 706122; NSC-706122; NCI60_037826; 7,12-Dihydro-11-ethylindolo[3,2-d][1]benzazepine-6(5H)-one; 16-ethyl-8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706122	.	.	.	.	276.3	C18H16N2O	44.9	410	3.4	21	2	1	1	"InChI=1S/C18H16N2O/c1-2-11-6-5-8-12-14-10-16(21)19-15-9-4-3-7-13(15)18(14)20-17(11)12/h3-9,20H,2,10H2,1H3,(H,19,21)"	CCC1=C2C(=CC=C1)C3=C(N2)C4=CC=CC=C4NC(=O)C3	LOOYKDRIOSVHMM-UHFFFAOYSA-N
DG58752	"ethyl (1R,2R,4R)-4-hydroxy-4-methyl-8-oxo-2-phenylbicyclo[3.2.1]octane-1-carboxylate"	397723	NSC706131; CHEMBL2003246; NSC-706131; NCI60_037829	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706131	.	.	.	.	302.4	C18H22O4	63.6	468	2.2	22	1	4	4	"InChI=1S/C18H22O4/c1-3-22-16(20)18-10-9-13(15(18)19)17(2,21)11-14(18)12-7-5-4-6-8-12/h4-8,13-14,21H,3,9-11H2,1-2H3/t13 ,14-,17-,18-/m1/s1"	CCOC(=O)[C@@]12CCC(C1=O)[C@](C[C@@H]2C3=CC=CC=C3)(C)O	BLFVKRZLPINTDI-YDTPAXHBSA-N
DG58753	Methyl 9-acetyl-5-hydroxybicyclo[3.2.2]non-6-ene-6-carboxylate	397724	NSC706132; CHEMBL1993738; NSC-706132; NCI60_037830	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706132	.	.	.	.	238.28	C13H18O4	63.6	385	1.1	17	1	4	3	"InChI=1S/C13H18O4/c1-8(14)10-6-9-4-3-5-13(10,16)11(7-9)12(15)17-2/h7,9-10,16H,3-6H2,1-2H3"	CC(=O)C1CC2CCCC1(C(=C2)C(=O)OC)O	SNDQMKAHNIJHJE-UHFFFAOYSA-N
DG58754	"1-Benzyl-5-phenyl-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-one"	397734	NSC706157; CHEMBL2004495; NSC-706157; NCI60_037840	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706157	.	.	.	.	370.3	C20H13F3N2O2	42.4	530	4.6	27	0	6	3	"InChI=1S/C20H13F3N2O2/c21-20(22,23)15-11-16(14-9-5-2-6-10-14)24-18-17(15)25(19(26)27-18)12-13-7-3-1-4-8-13/h1-11H,12H2"	C1=CC=C(C=C1)CN2C3=C(N=C(C=C3C(F)(F)F)C4=CC=CC=C4)OC2=O	WYOZBBWCQSDKIV-UHFFFAOYSA-N
DG58755	"6-chloro-5-phenyl-7-(trifluoromethyl)-1H-[1,3]oxazolo[5,4-b]pyridin-2-one"	397735	NSC706158; CHEMBL1997440; NSC-706158; NCI60_037841	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706158	.	.	.	.	314.64	C13H6ClF3N2O2	51.2	415	3.6	21	1	6	1	"InChI=1S/C13H6ClF3N2O2/c14-8-7(13(15,16)17)10-11(21-12(20)19-10)18-9(8)6-4-2-1-3-5-6/h1-5H,(H,19,20)"	C1=CC=C(C=C1)C2=C(C(=C3C(=N2)OC(=O)N3)C(F)(F)F)Cl	RHHQGHLNNXQVTC-UHFFFAOYSA-N
DG58756	1-(2-hydroxypropyl)-3-[2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]urea	397739	NSC706162; CHEMBL1980839; NSC-706162; NCI60_037845	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706162	.	.	.	.	355.31	C16H16F3N3O3	90.5	593	1.2	25	4	6	4	"InChI=1S/C16H16F3N3O3/c1-9(23)8-20-15(25)22-13-11(16(17,18)19)7-12(21-14(13)24)10-5-3-2-4-6-10/h2-7,9,23H,8H2,1H3,(H,21,24)(H2,20,22,25)"	CC(CNC(=O)NC1=C(C=C(NC1=O)C2=CC=CC=C2)C(F)(F)F)O	GMLUKWBSFRTUCR-UHFFFAOYSA-N
DG58757	"(1S)-1-[[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine"	397749	NSC706172; CHEMBL1970820; NSC-706172; NCI60_037855	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706172	.	.	.	.	427.5	C25H28F3N3	21.1	591	5.9	31	0	5	4	"InChI=1S/C25H28F3N3/c26-25(27,28)20-11-12-23-21(16-20)29-24(15-18-7-2-1-3-8-18)31(23)17-19-9-6-14-30-13-5-4-10-22(19)30/h1-3,7-8,11-12,16,19,22H,4-6,9-10,13-15,17H2/t19-,22 /m0/s1"	C1CCN2CCC[C@H](C2C1)CN3C4=C(C=C(C=C4)C(F)(F)F)N=C3CC5=CC=CC=C5	VYBKTUUDMDGXLT-YDNXMHBPSA-N
DG58758	"(1S)-1-[[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine"	397750	NSC706173; CHEMBL1999042; NSC-706173; NCI60_037856	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706173	.	.	.	.	457.5	C26H30F3N3O	30.3	639	5.9	33	0	6	5	"InChI=1S/C26H30F3N3O/c1-33-21-10-7-18(8-11-21)15-25-30-22-16-20(26(27,28)29)9-12-24(22)32(25)17-19-5-4-14-31-13-3-2-6-23(19)31/h7-12,16,19,23H,2-6,13-15,17H2,1H3/t19-,23 /m0/s1"	COC1=CC=C(C=C1)CC2=NC3=C(N2C[C@@H]4CCCN5C4CCCC5)C=CC(=C3)C(F)(F)F	TZCMOUOFLGIXFI-HSTJUUNISA-N
DG58759	"(1S)-1-[(2-benzyl-5-nitrobenzimidazol-1-yl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride"	397751	NSC706174; CHEMBL2002061; NSC-706174	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706174	.	.	.	.	441	C24H29ClN4O2	66.9	590	.	31	1	4	4	"InChI=1S/C24H28N4O2.ClH/c29-28(30)20-11-12-23-21(16-20)25-24(15-18-7-2-1-3-8-18)27(23)17-19-9-6-14-26-13-5-4-10-22(19)26;/h1-3,7-8,11-12,16,19,22H,4-6,9-10,13-15,17H2;1H/t19-,22 ;/m0./s1"	C1CCN2CCC[C@H](C2C1)CN3C4=C(C=C(C=C4)[N+](=O)[O-])N=C3CC5=CC=CC=C5.Cl	TYRRRZPZWLVLRT-OFRUWTFKSA-N
DG58760	"3-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine"	397755	NSC706177; CHEMBL1965356; AKOS002660513; NSC-706177; NCI60_037860	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706177	.	.	.	.	361.4	C20H22F3N3	21.1	435	4.6	26	0	5	6	"InChI=1S/C20H22F3N3/c1-25(2)11-6-12-26-18-10-9-16(20(21,22)23)14-17(18)24-19(26)13-15-7-4-3-5-8-15/h3-5,7-10,14H,6,11-13H2,1-2H3"	CN(C)CCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CC3=CC=CC=C3	HENOLDQCBALMOQ-UHFFFAOYSA-N
DG58761	"3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine"	397756	NSC706178; CHEMBL2001046; NSC-706178; NCI60_037861	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706178	.	.	.	.	391.4	C21H24F3N3O	30.3	480	4.6	28	0	6	7	"InChI=1S/C21H24F3N3O/c1-26(2)11-4-12-27-19-10-7-16(21(22,23)24)14-18(19)25-20(27)13-15-5-8-17(28-3)9-6-15/h5-10,14H,4,11-13H2,1-3H3"	CN(C)CCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CC3=CC=C(C=C3)OC	YLEBLYRTFAZEDM-UHFFFAOYSA-N
DG58762	"3-[2-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine"	397757	NSC706179; CHEMBL1971344; AKOS002661020; NSC-706179; NCI60_037862	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706179	.	.	.	.	395.8	C20H21ClF3N3	21.1	466	5.2	27	0	5	6	"InChI=1S/C20H21ClF3N3/c1-26(2)10-3-11-27-18-9-6-15(20(22,23)24)13-17(18)25-19(27)12-14-4-7-16(21)8-5-14/h4-9,13H,3,10-12H2,1-2H3"	CN(C)CCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CC3=CC=C(C=C3)Cl	ROEVRPVBIIFVOM-UHFFFAOYSA-N
DG58763	"2-[2-(benzotriazol-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine"	397758	NSC706180; CHEMBL1996292; NSC-706180; NCI60_037863	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706180	.	.	.	.	388.4	C19H19F3N6	51.8	516	3.7	28	0	7	5	"InChI=1S/C19H19F3N6/c1-26(2)9-10-27-17-8-7-13(19(20,21)22)11-16(17)23-18(27)12-28-24-14-5-3-4-6-15(14)25-28/h3-8,11H,9-10,12H2,1-2H3"	CN(C)CCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CN3N=C4C=CC=CC4=N3	CHDHEQVOFUWVJH-UHFFFAOYSA-N
DG58764	"3-[2-(benzotriazol-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine"	397760	NSC706182; CHEMBL1965042; NSC-706182; NCI60_037865	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706182	.	.	.	.	402.4	C20H21F3N6	51.8	531	4	29	0	7	6	"InChI=1S/C20H21F3N6/c1-27(2)10-5-11-28-18-9-8-14(20(21,22)23)12-17(18)24-19(28)13-29-25-15-6-3-4-7-16(15)26-29/h3-4,6-9,12H,5,10-11,13H2,1-2H3"	CN(C)CCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CN3N=C4C=CC=CC4=N3	DAHFALSQXWKKCL-UHFFFAOYSA-N
DG58765	"1-Oxo-3a,7a-dihydro-1lambda4,2-benzodithiole-3-thione"	397762	NSC706184; CHEMBL1979583; NSC-706184; NCI60_037867	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706184	.	.	.	.	202.3	C7H6OS3	93.7	279	1.4	11	0	4	0	InChI=1S/C7H6OS3/c8-11-6-4-2-1-3-5(6)7(9)10-11/h1-6H	C1=CC2C(C=C1)S(=O)SC2=S	WRTNFGRDPACJHT-UHFFFAOYSA-N
DG58766	"3a,7a-Dihydrodithiolo[3,4-b]pyridine-3-thione"	397764	NSC706186; CHEMBL1985315; NSC-706186; NCI60_037869	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706186	.	.	.	.	187.3	C6H5NS3	95	221	0.8	10	0	4	0	InChI=1S/C6H5NS3/c8-6-4-2-1-3-7-5(4)9-10-6/h1-5H	C1=CC2C(N=C1)SSC2=S	DRPGBRDDYIIVEA-UHFFFAOYSA-N
DG58767	"7H,15H-Dinaphtho[2,3-b:2',3'-f][1,5]dithiocin-7,15-dione"	397765	"NSC706188; CHEMBL1988258; NSC-706188; NCI60_037870; 7H,15H-Dinaphtho[2,3-b:2',3'-f][1,5]dithiocin-7,15-dione; 7H,15H-Dinaphtho[2,3-b:2,3-f][1,5]dithiocine-7,15-dione #; 7H,15H-6,14-Dithiacycloocta[1,2-b:5,6-b']dinaphthalene-7,15-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706188	.	.	.	.	372.5	C22H12O2S2	84.7	527	6.4	26	0	4	0	InChI=1S/C22H12O2S2/c23-21-17-9-13-5-1-3-7-15(13)11-19(17)25-22(24)18-10-14-6-2-4-8-16(14)12-20(18)26-21/h1-12H	C1=CC=C2C=C3C(=CC2=C1)C(=O)SC4=CC5=CC=CC=C5C=C4C(=O)S3	LFCXOXKKNZBHGK-UHFFFAOYSA-N
DG58768	"2-Bromo-6H,12H-dibenzo[b,f][1,5]dithiocin-6,12-dione"	397766	"NSC706189; CHEMBL1997684; NSC-706189; NCI60_037871; 2-Bromo-6H,12H-dibenzo[b,f][1,5]dithiocin-6,12-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706189	.	.	.	.	351.2	C14H7BrO2S2	84.7	388	4.6	19	0	4	0	InChI=1S/C14H7BrO2S2/c15-8-5-6-12-10(7-8)14(17)18-11-4-2-1-3-9(11)13(16)19-12/h1-7H	C1=CC=C2C(=C1)C(=O)SC3=C(C=C(C=C3)Br)C(=O)S2	XLMPZVYVMNTYLL-UHFFFAOYSA-N
DG58769	"12-Bromo-6H,14H-benzo[b]naphtho[2,3-f][1,5]dithiocin-6,14-dione"	397767	"NSC706190; CHEMBL1973276; NSC-706190; NCI60_037872; 6H,3-f][1,5]dithiocin-6,14-dione, 2-bromo-; 2-Bromo-6H,14H-naphtho[2,3-c][1,5]benzodithiocine-6,14-dione #; 12-Bromo-6H,14H-benzo[b]naphtho[2,3-f][1,5]dithiocin-6,14-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706190	.	.	.	.	401.3	C18H9BrO2S2	84.7	497	5.8	23	0	4	0	InChI=1S/C18H9BrO2S2/c19-12-5-6-15-14(9-12)18(21)23-16-8-11-4-2-1-3-10(11)7-13(16)17(20)22-15/h1-9H	C1=CC=C2C=C3C(=CC2=C1)C(=O)SC4=C(C=C(C=C4)Br)C(=O)S3	JTYVTRAPVMKCDP-UHFFFAOYSA-N
DG58770	"1,1-bis(methylsulfanyl)-2,2-diphenyl-8H-azeto[2,1-b]quinazoline"	397769	NSC706192; CHEMBL2006829; NSC-706192; NCI60_037874	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706192	.	.	.	.	402.6	C24H22N2S2	66.2	569	5.2	28	0	3	4	"InChI=1S/C24H22N2S2/c1-27-24(28-2)23(19-12-5-3-6-13-19,20-14-7-4-8-15-20)22-25-21-16-10-9-11-18(21)17-26(22)24/h3-16H,17H2,1-2H3"	CSC1(C(C2=NC3=CC=CC=C3CN21)(C4=CC=CC=C4)C5=CC=CC=C5)SC	RVJDAJWAQCTALO-UHFFFAOYSA-N
DG58771	"1,1-Diphenyl-2-(4-nitrophenyl)-1,2-dihydro-3H-2a,8-diazacyclobuta[b]naphthalen-3-one"	397770	"NSC706193; CHEMBL1993158; NSC-706193; NCI60_037875; 1,1-Diphenyl-2-(4-nitrophenyl)-1,2-dihydro-3H-2a,8-diazacyclobuta[b]naphthalen-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706193	.	.	.	.	445.5	C28H19N3O3	78.5	797	5.1	34	0	4	3	"InChI=1S/C28H19N3O3/c32-26-23-13-7-8-14-24(23)29-27-28(20-9-3-1-4-10-20,21-11-5-2-6-12-21)25(30(26)27)19-15-17-22(18-16-19)31(33)34/h1-18,25H"	C1=CC=C(C=C1)C2(C(N3C2=NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6	DJGZHXCAORGNPH-UHFFFAOYSA-N
DG58772	"2-Chloro-8,9-dimethoxy-4H-benzo[ij][2,7]naphthyridine-4,5(6H)-dione"	397794	"NSC706232; CHEMBL2001676; NSC-706232; NCI60_037897; 2-Chloro-8,9-dimethoxy-4H-benzo[ij][2,7]naphthyridine-4,5(6H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706232	.	.	.	.	292.67	C13H9ClN2O4	77.5	433	1.9	20	1	5	2	"InChI=1S/C13H9ClN2O4/c1-19-7-4-6-9-5(11(17)13(18)15-6)3-8(14)16-10(9)12(7)20-2/h3-4H,1-2H3,(H,15,18)"	COC1=C(C2=C3C(=CC(=N2)Cl)C(=O)C(=O)NC3=C1)OC	VNFCKJRPRZYROZ-UHFFFAOYSA-N
DG58773	"7-Chloro-4-hydroxy-10,11-dimethoxy-4-phenacyl-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-one"	397796	NSC706234; CHEMBL1995087; NSC-706234; NCI60_037899	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706234	.	.	.	.	412.8	C21H17ClN2O5	97.8	643	3.1	29	2	6	5	"InChI=1S/C21H17ClN2O5/c1-28-15-9-13-17-12(8-16(22)24-18(17)19(15)29-2)21(27,20(26)23-13)10-14(25)11-6-4-3-5-7-11/h3-9,27H,10H2,1-2H3,(H,23,26)"	COC1=C(C2=C3C(=CC(=N2)Cl)C(C(=O)NC3=C1)(CC(=O)C4=CC=CC=C4)O)OC	OJXPOFORGKOUPG-UHFFFAOYSA-N
DG58774	"Ethyl 2-[(7-chloro-10,11-dimethoxy-4-oxo-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),2,5,7,9(13),10-hexaen-3-yl)oxy]acetate"	397799	NSC706237; CHEMBL1983560; NSC-706237; NCI60_037902	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706237	.	.	.	.	378.8	C17H15ClN2O6	96.3	586	2.8	26	0	8	7	"InChI=1S/C17H15ClN2O6/c1-4-25-12(21)7-26-17-15(22)8-5-11(18)20-14-13(8)9(19-17)6-10(23-2)16(14)24-3/h5-6H,4,7H2,1-3H3"	CCOC(=O)COC1=NC2=CC(=C(C3=C2C(=CC(=N3)Cl)C1=O)OC)OC	XTEOWTJRCYUYNE-UHFFFAOYSA-N
DG58775	"4-(benzhydrylideneamino)-3-methyl-1H-1,2,4-triazol-5-one"	397825	NSC706415; CHEMBL1986147; NSC-706415; NCI60_037918	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706415	.	.	.	.	278.31	C16H14N4O	57.1	425	2.9	21	1	3	3	"InChI=1S/C16H14N4O/c1-12-17-18-16(21)20(12)19-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3,(H,18,21)"	CC1=NNC(=O)N1N=C(C2=CC=CC=C2)C3=CC=CC=C3	KYZWZOMAOZALDU-UHFFFAOYSA-N
DG58776	"3-benzyl-4-(cyclohexylideneamino)-1H-1,2,4-triazol-5-one"	397826	NSC706416; CHEMBL1993124; NSC-706416; NCI60_037919	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706416	.	.	.	.	270.33	C15H18N4O	57.1	416	2.2	20	1	3	3	"InChI=1S/C15H18N4O/c20-15-17-16-14(11-12-7-3-1-4-8-12)19(15)18-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2,(H,17,20)"	C1CCC(=NN2C(=NNC2=O)CC3=CC=CC=C3)CC1	CQDUZQPQEUUEMF-UHFFFAOYSA-N
DG58777	Unii-M759cwy9DZ	397854	"UNII-M759CWY9DZ; M759CWY9DZ; NSC706470; LB42908 hydrochloride; LB-42908 hydrochloride; CHEMBL1971731; NSC-706470; 1-(1-((1-((2H-1,3-Benzodioxol-5-yl)methyl)-1H-imidazol-5-yl)methyl)-4-(naphthalen-1-yl)-1H-pyrrole-3-carbonyl)-4-methylpiperazine hydrochloride; 1049714-62-6; Methanone, (1-((1-(1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl)methyl)-4-(1-naphthalenyl)-1H-pyrrol-3-yl)(4-methyl-1-piperazinyl)-, hydrochloride (1:1); Methanone,3-benzodioxol-5- yl)methyl]-1H-imidazol-5-yl]methyl]-4-91-naphthalenyl)-1H-pyrrol-3-yl-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706470	.	.	.	.	570.1	C32H32ClN5O3	64.8	868	.	41	1	5	6	"InChI=1S/C32H31N5O3.ClH/c1-34-11-13-36(14-12-34)32(38)29-20-35(19-28(29)27-8-4-6-24-5-2-3-7-26(24)27)18-25-16-33-21-37(25)17-23-9-10-30-31(15-23)40-22-39-30;/h2-10,15-16,19-21H,11-14,17-18,22H2,1H3;1H"	CN1CCN(CC1)C(=O)C2=CN(C=C2C3=CC=CC4=CC=CC=C43)CC5=CN=CN5CC6=CC7=C(C=C6)OCO7.Cl	XIZLDRQEDOGKMT-UHFFFAOYSA-N
DG58778	Remangilone C	397856	Remangilone C; CHEMBL1975710; NSC706476; NSC-706476; NCI60_037948	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706476	.	.	.	.	440.6	C28H40O4	74.6	957	5	32	2	4	0	"InChI=1S/C28H40O4/c1-15-18-10-12-27(5)21(26(18,4)14-20(29)22(15)30)8-7-19-17-13-25(2,3)11-9-16(17)23(31)24(32)28(19,27)6/h7,16-18,21,24,30,32H,8-14H2,1-6H3/t16-,17+,18-,21+,24-,26-,27+,28-/m0/s1"	CC1=C(C(=O)C[C@]2([C@H]1CC[C@@]3([C@@H]2CC=C4[C@]3([C@H](C(=O)[C@@H]5[C@H]4CC(CC5)(C)C)O)C)C)C)O	QQWIUBKPPNCYMY-JHYKCHHWSA-N
DG58779	NSC706480	397857	"(5R,5aR,8aR,9S)-9-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one; NSC706480; CHEMBL1967305; NSC-706480; NCI60_037949"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706480	.	.	.	.	686.7	C37H34O13	183	1190	4.2	50	5	13	6	"InChI=1S/C37H34O13/c1-44-28-7-16(8-29(45-2)36(28)46-3)30-17-10-26-27(49-14-48-26)11-18(17)31(20-13-47-37(43)32(20)30)33-24(41)12-22(39)19-9-25(42)34(50-35(19)33)15-4-5-21(38)23(40)6-15/h4-8,10-12,20,25,30-32,34,38-42H,9,13-14H2,1-3H3/t20-,25+,30-,31-,32+,34-/m1/s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)C6=C(C=C(C7=C6O[C@@H]([C@H](C7)O)C8=CC(=C(C=C8)O)O)O)O	VSCRRRCQTIUCAW-OOLGDHILSA-N
DG58780	NSC706482	397859	"[(2R,3R)-8-[(5R,5aR,8aR,9S)-6-oxo-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate; NSC706482; CHEMBL1972102; NSC-706482; NCI60_037951"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706482	.	.	.	.	838.8	C44H38O17	250	1530	5.4	61	7	17	9	"InChI=1S/C44H38O17/c1-54-32-9-18(10-33(55-2)42(32)56-3)35-20-11-30-31(59-16-58-30)12-21(20)36(23-15-57-44(53)37(23)35)38-27(48)14-25(46)22-13-34(60-43(52)19-7-28(49)39(51)29(50)8-19)40(61-41(22)38)17-4-5-24(45)26(47)6-17/h4-12,14,23,34-37,40,45-51H,13,15-16H2,1-3H3/t23-,34-,35-,36-,37+,40-/m1/s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)C6=C(C=C(C7=C6O[C@@H]([C@@H](C7)OC(=O)C8=CC(=C(C(=C8)O)O)O)C9=CC(=C(C=C9)O)O)O)O	KOIXEDMUJUZLJA-HTJQZNAQSA-N
DG58781	NSC706484	397861	"[6-[[(1S,2R,3R,5R,7S,10S,11R,14R,15S)-7-acetyloxy-15-[(2S,4R,5S)-6-fluoro-4,5-dihydroxy-6-methylheptan-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate; NSC706484; CHEMBL1979003; NSC-706484; NCI60_037953"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706484	.	.	.	.	740.9	C40H65FO11	172	1370	5	52	5	12	12	"InChI=1S/C40H65FO11/c1-20(16-24(44)33(48)36(6,7)41)23-10-15-40-19-39(23,40)14-11-26-37(8)13-12-28(50-22(3)43)35(4,5)27(37)17-29(38(26,40)9)52-34-32(47)31(46)30(45)25(51-34)18-49-21(2)42/h20,23-34,44-48H,10-19H2,1-9H3/t20-,23-,24+,25 ,26+,27-,28-,29+,30 ,31 ,32 ,33-,34 ,37+,38-,39+,40+/m0/s1"	C[C@@H](C[C@H]([C@@H](C(C)(C)F)O)O)[C@@H]1CC[C@@]23[C@@]1(C2)CC[C@H]4[C@]3([C@@H](C[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C	UVIGKQSXWXGXPU-VKOBEHAWSA-N
DG58782	NSC706485	397862	"16,17-Dimethoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene-21-carbaldehyde; NSC706485; CHEMBL1965930; NSC-706485; NCI60_037954"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706485	.	.	.	.	379.4	C21H17NO6	74.3	692	2.1	28	0	6	3	"InChI=1S/C21H17NO6/c1-25-15-4-3-12-14(9-23)19-13-8-17-16(27-10-28-17)7-11(13)5-6-22(19)21(24)18(12)20(15)26-2/h3-4,7-9H,5-6,10H2,1-2H3"	COC1=C(C2=C(C=C1)C(=C3C4=CC5=C(C=C4CCN3C2=O)OCO5)C=O)OC	YISKKWOKBIOAPF-UHFFFAOYSA-N
DG58783	"2,3,9,10-tetramethoxy-6,8-dihydro-5H-isoquinolino[2,1-b]isoquinoline-8-carbonitrile"	397863	NSC706486; CHEMBL1996192; NSC-706486; NCI60_037955	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706486	.	.	.	.	378.4	C22H22N2O4	64	644	3.7	28	0	6	4	"InChI=1S/C22H22N2O4/c1-25-18-6-5-14-9-16-15-11-20(27-3)19(26-2)10-13(15)7-8-24(16)17(12-23)21(14)22(18)28-4/h5-6,9-11,17H,7-8H2,1-4H3"	COC1=C(C2=C(C=C1)C=C3C4=CC(=C(C=C4CCN3C2C#N)OC)OC)OC	RXUHTKZJTZPOFK-UHFFFAOYSA-N
DG58784	"3-[(2-methyl-1H-benzimidazol-1-yl)methyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	397868	"3-[(2-methyl-1H-benzimidazol-1-yl)methyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine; NSC706492; CHEMBL1977232; ZINC5544564; STK242450; AKOS001946048; CCG-174731; MCULE-6687355912; NSC-706492; NCI60_037960; AO-365/43368468; 3-(2-Methyl-1H-benzimidazol-1-ylmethyl)-6-phenyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706492	.	.	.	.	360.4	C19H16N6S	86.2	536	3.5	26	0	5	3	"InChI=1S/C19H16N6S/c1-13-20-15-9-5-6-10-17(15)24(13)11-18-21-22-19-25(18)23-16(12-26-19)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3"	CC1=NC2=CC=CC=C2N1CC3=NN=C4N3N=C(CS4)C5=CC=CC=C5	PBLNXCJTJUWZFT-UHFFFAOYSA-N
DG58785	"(2R,3S)-1-(1-adamantyl)-3-(3-chlorophenyl)-2,3-dihydroxypropan-1-one"	397869	NSC706493; CHEMBL1993410; NSC-706493; NCI60_037961	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706493	.	.	.	.	334.8	C19H23ClO3	57.5	436	3.4	23	2	3	4	"InChI=1S/C19H23ClO3/c20-15-3-1-2-14(7-15)16(21)17(22)18(23)19-8-11-4-12(9-19)6-13(5-11)10-19/h1-3,7,11-13,16-17,21-22H,4-6,8-10H2/t11 ,12 ,13 ,16-,17+,19 /m0/s1"	C1C2CC3CC1CC(C2)(C3)C(=O)[C@@H]([C@H](C4=CC(=CC=C4)Cl)O)O	VLCUXHGLDBUBFO-FAVSCLIXSA-N
DG58786	"2-[5-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]phenol"	397872	NSC706496; CHEMBL1996050; NSC-706496; NCI60_037964	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706496	.	.	.	.	307.27	C16H12F3NO2	41.8	416	3.8	22	1	6	2	"InChI=1S/C16H12F3NO2/c17-16(18,19)11-7-5-10(6-8-11)15-9-13(20-22-15)12-3-1-2-4-14(12)21/h1-8,15,21H,9H2"	C1C(ON=C1C2=CC=CC=C2O)C3=CC=C(C=C3)C(F)(F)F	BJDTVUPZFKWXAI-UHFFFAOYSA-N
DG58787	"Benzenamine, 4-(4-fluoro-2-benzothiazolyl)-2-methyl-"	397873	"NSC-706705; NSC706705; CHEMBL35789; Benzenamine, 4-(4-fluoro-2-benzothiazolyl)-2-methyl-; SCHEMBL5691128; DTXSID10327952; 328087-12-3; NCI60_037965"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706705	.	.	.	.	258.32	C14H11FN2S	67.2	302	3.8	18	1	4	1	"InChI=1S/C14H11FN2S/c1-8-7-9(5-6-11(8)16)14-17-13-10(15)3-2-4-12(13)18-14/h2-7H,16H2,1H3"	CC1=C(C=CC(=C1)C2=NC3=C(C=CC=C3S2)F)N	ILHIPVYEKVGUKF-UHFFFAOYSA-N
DG58788	"3,21-Dien-3beta-ol"	397877	"NSC706729; 3,21-dien-3.beta.-ol; CHEMBL1979434; NSC-706729; NCI60_037967"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706729	.	.	.	.	428.7	C30H52O	20.2	708	9.8	31	1	1	6	"InChI=1S/C30H52O/c1-22(2)11-9-15-27(5)16-19-30(8)26-14-13-24(23(3)4)25(12-10-20-31)29(26,7)18-17-28(30,6)21-27/h11,25-26,31H,9-10,12-21H2,1-8H3/t25-,26 ,27-,28+,29+,30-/m1/s1"	CC(=CCC[C@@]1(CC[C@@]2(C3CCC(=C(C)C)[C@H]([C@@]3(CC[C@]2(C1)C)C)CCCO)C)C)C	GEDCRNDZBLEQJG-GLEPPYJMSA-N
DG58789	"3,21-Dien-3beta-ol acetate"	397878	"NSC706730; CHEMBL1976929; 3,21-dien-3.beta.-ol acetate; NSC-706730; NCI60_037968"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706730	.	.	.	.	470.8	C32H54O2	26.3	813	10.4	34	0	2	8	"InChI=1S/C32H54O2/c1-23(2)12-10-16-29(6)17-20-32(9)28-15-14-26(24(3)4)27(13-11-21-34-25(5)33)31(28,8)19-18-30(32,7)22-29/h12,27-28H,10-11,13-22H2,1-9H3/t27-,28 ,29-,30+,31+,32-/m1/s1"	CC(=CCC[C@@]1(CC[C@@]2(C3CCC(=C(C)C)[C@H]([C@@]3(CC[C@]2(C1)C)C)CCCOC(=O)C)C)C)C	YOHVGANXDZNQSU-MSOWXBGASA-N
DG58790	"5-tert-Butyl-9-methyl-2-(4-methylphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	397880	"NSC706736; CHEMBL1981662; tert-butyl-methyl-(p-tolyl)[ ]dione; NSC-706736; 5-tert-Butyl-9-methyl-2-(4-methylphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; NCI60_037970"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706736	.	.	.	.	454.6	C30H34N2O2	53.2	824	6.8	34	1	2	2	"InChI=1S/C30H34N2O2/c1-16-6-10-19(11-7-16)32-28(33)25-21-15-18(30(3,4)5)9-12-20(21)24-22-14-17(2)8-13-23(22)31-27(24)26(25)29(32)34/h6-8,10-11,13-14,18,20-21,25-26,31H,9,12,15H2,1-5H3"	CC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=C5C=C(C=C6)C)C(C)(C)C	AYUFRKFEPGDKKZ-UHFFFAOYSA-N
DG58791	"5-tert-Butyl-9-methyl-2-(4-phenoxyphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	397881	"NSC706737; CHEMBL2007303; NSC-706737; 5-tert-Butyl-9-methyl-2-(4-phenoxyphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; NCI60_037971; tert-butyl-methyl-(4-phenoxyphenyl)[ ]dione; 9-Tert-butyl-16-methyl-4-(4-phenoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706737	.	.	.	.	532.7	C35H36N2O3	62.4	960	8	40	1	3	4	"InChI=1S/C35H36N2O3/c1-20-10-17-28-27(18-20)29-25-16-11-21(35(2,3)4)19-26(25)30-31(32(29)36-28)34(39)37(33(30)38)22-12-14-24(15-13-22)40-23-8-6-5-7-9-23/h5-10,12-15,17-18,21,25-26,30-31,36H,11,16,19H2,1-4H3"	CC1=CC2=C(C=C1)NC3=C2C4CCC(CC4C5C3C(=O)N(C5=O)C6=CC=C(C=C6)OC7=CC=CC=C7)C(C)(C)C	JWSLJRLYRJFSCH-UHFFFAOYSA-N
DG58792	"2-(Dimethylamino)-5-ethyl-9-methyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	397883	"NSC706739; CHEMBL1968924; dimethylamino-ethyl-methyl-[ ]dione; NSC-706739; 2-(Dimethylamino)-5-ethyl-9-methyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; NCI60_037973; Benzo[c]pyrrolo[3,3(2H,3aH)-dione, 2-(dimethylamino)-5-ethyl- 3b,4,5,6,7,7a,12,12b-octahydro-9-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706739	.	.	.	.	379.5	C23H29N3O2	56.4	664	4.5	28	1	3	2	"InChI=1S/C23H29N3O2/c1-5-13-7-8-14-15(11-13)19-20(23(28)26(22(19)27)25(3)4)21-18(14)16-10-12(2)6-9-17(16)24-21/h6,9-10,13-15,19-20,24H,5,7-8,11H2,1-4H3"	CCC1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)C)C(=O)N(C3=O)N(C)C	LZROUWNHHCPRKE-UHFFFAOYSA-N
DG58793	"5-tert-Butyl-2-(4-methylphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	397885	"NSC706741; tert-butyl(p-tolyl)[ ]dione; CHEMBL1970510; NSC-706741; 5-tert-Butyl-2-(4-methylphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione; NCI60_037975"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706741	.	.	.	.	440.6	C29H32N2O2	53.2	794	6.4	33	1	2	2	"InChI=1S/C29H32N2O2/c1-16-9-12-18(13-10-16)31-27(32)24-21-15-17(29(2,3)4)11-14-19(21)23-20-7-5-6-8-22(20)30-26(23)25(24)28(31)33/h5-10,12-13,17,19,21,24-25,30H,11,14-15H2,1-4H3"	CC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C(C)(C)C	IDLOLSJOEPVWGJ-UHFFFAOYSA-N
DG58794	LMP-744 hydrochloride	397887	"LMP-744 hydrochloride; 308246-57-3; LMP744 hydrochloride; NSC706744; LMP744 (hydrochloride); LMP744 HCl; UNII-230KX4E61B; 230KX4E61B; 308246-57-3 (HCl); 6-(3-((2-hydroxyethyl)amino)propyl)-2,3-dimethoxy-5H-[1,3]dioxolo[4',5':5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione hydrochloride; 6-[3-[(2-hydroxyethyl)amino]propyl]-2,3-dimethoxy-5H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione hydrochloride; MJ-III65 hydrochloride; NSC706744 hydrochloride; CHEMBL332003; SCHEMBL6445842; DTXSID70327953; HY-U00248A; BCP34016; CS-0086159; Q27896542; 20-[3-(2-hydroxyethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione;hydrochloride; 5H-[1,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione, 6-[3-[(2-hydroxyethyl)amino]propyl]-2,3-dimethoxy-, monohydrochloride; 6-[3-[(2-Hydroxyethyl)amino]propyl]-5,11-diketo-2,3-dimethoxy-8,9-(methylenedioxy)-11H-indeno[1,2-c]isoquinoline Hydrochloride; LMP-744 hydrochloride; LMP-744 HCl; LMP744 HCl; LMP 744 HCl;MJ-III65 hydrochloride; NSC706744 hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706744	.	.	.	.	488.9	C24H25ClN2O7	107	802	.	34	3	8	8	"InChI=1S/C24H24N2O7.ClH/c1-30-17-8-13-16(11-18(17)31-2)24(29)26(6-3-4-25-5-7-27)22-14-9-19-20(33-12-32-19)10-15(14)23(28)21(13)22;/h8-11,25,27H,3-7,12H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCO)OC.Cl	POXWLZDVWCKKEX-UHFFFAOYSA-N
DG58795	"6-(3-((2-hydroxyethyl)amino)propyl)-2,3-dimethoxy-5H-[1,3]dioxolo[4',5':5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione"	397888	"LMP744; 308246-52-8; LMP-744; MJ-III-65; LMP744 free base; UNII-29BY7HQV0T; 29BY7HQV0T; NCI60_037977; CHEMBL126159; 308246-52-8 (free base); NSC-706743; NSC-706744; 6-(3-((2-hydroxyethyl)amino)propyl)-2,3-dimethoxy-5H-[1,3]dioxolo[4',5':5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione; SCHEMBL4162998; DTXSID30327954; Topoisomerase-1 inhibitor lmp744; BCP34017; EX-A3021; BDBM50237809; HY-U00248; NSC706743; CS-7432; Q27894415; 20-[3-(2-Hydroxyethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione; 5H-(1,3)Dioxolo(5,6)indeno(1,2-C)isoquinoline-5,12(6H)-dione, 6-(3-((2-hydroxyethyl)amino)propyl)-2,3-dimethoxy-; 5H-[1,6]indeno[1,2-c]isoquinoline- 5,12(6H)-dione,6-[3-[(2-hydroxyethyl)amino]propyl]-2,3-dimethoxy-; 6-[3-(2-Hydroxyethyl)aminopropyl]-5,11-diketo-2,3-dimethoxy-8,9-(methylenedioxy)- 11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706743	.	.	.	.	452.5	C24H24N2O7	107	802	1.4	33	2	8	8	"InChI=1S/C24H24N2O7/c1-30-17-8-13-16(11-18(17)31-2)24(29)26(6-3-4-25-5-7-27)22-14-9-19-20(33-12-32-19)10-15(14)23(28)21(13)22/h8-11,25,27H,3-7,12H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCO)OC	QCSDJDQOJBQTDV-UHFFFAOYSA-N
DG58796	NSC706806	397891	"8,24-Ditert-butyl-12,16,28,32-tetraoxapentacyclo[17.13.0.03,17.06,11.022,27]dotriaconta-1(19),2,6(11),7,9,17,22(27),23,25-nonaen-4,20-diyne; NSC706806; CHEMBL1975806; NSC-706806; NCI60_037979; 2,3-[Oxytrimethyleneoxy(4-tert-butyl-1,2-phenylene)(ethyne-1,2-diyl)]-12-tert-butyl-7,8-dihydro-14,15-didehydro-6H-dibenzo[f,j][1,5]dioxacycloundecin"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706806	.	.	.	.	534.7	C36H38O4	36.9	896	9.5	40	0	4	2	"InChI=1S/C36H38O4/c1-35(2,3)29-13-15-31-25(21-29)9-11-27-23-34-28(24-33(27)39-19-7-17-37-31)12-10-26-22-30(36(4,5)6)14-16-32(26)38-18-8-20-40-34/h13-16,21-24H,7-8,17-20H2,1-6H3"	CC(C)(C)C1=CC2=C(C=C1)OCCCOC3=CC4=C(C=C3C#C2)OCCCOC5=C(C=C(C=C5)C(C)(C)C)C#C4	DHNCNEKWFCVUOX-UHFFFAOYSA-N
DG58797	"9-Methoxy-6,7-dihydrobenzo[h]tetrazolo[1,5-a]quinoline-4-carboxamide"	397894	"NSC706809; CHEMBL1971608; NSC-706809; NCI60_037982; 9-Methoxy-6,7-dihydrobenzo[h]tetrazolo[1,5-a]quinoline-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706809	.	.	.	.	295.3	C15H13N5O2	95.4	448	1.1	22	1	5	2	"InChI=1S/C15H13N5O2/c1-22-10-4-5-11-8(6-10)2-3-9-7-12(14(16)21)15-17-18-19-20(15)13(9)11/h4-7H,2-3H2,1H3,(H2,16,21)"	COC1=CC2=C(C=C1)C3=C(CC2)C=C(C4=NN=NN34)C(=O)N	WQZOIYUPVFLNQK-UHFFFAOYSA-N
DG58798	"1,6-Bis[4-(4-aminophenoxy)phenyl]diamantane"	397904	"NSC706829; CHEMBL1984354; NSC-706829; NCI60_037992; 1,6-Bis[4-(4-aminophenoxy)phenyl]diamantane; 4,4'-[Decahydro-3,5,1,7-[1,2,3,4]butanetetrylnaphthalene-1,5-diylbis[(4,1-phenylene)oxy]]bisaniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706829	.	.	.	.	554.7	C38H38N2O2	70.5	866	9.1	42	2	4	6	"InChI=1S/C38H38N2O2/c39-27-5-13-31(14-6-27)41-29-9-1-25(2-10-29)37-21-23-19-35-33(37)17-24-18-34(37)36(20-23)38(35,22-24)26-3-11-30(12-4-26)42-32-15-7-28(40)8-16-32/h1-16,23-24,33-36H,17-22,39-40H2"	C1C2CC3C4CC5CC(C1C3(C5)C6=CC=C(C=C6)OC7=CC=C(C=C7)N)C4(C2)C8=CC=C(C=C8)OC9=CC=C(C=C9)N	ICZJKWFNSLWHTA-UHFFFAOYSA-N
DG58799	"1,6-Bis[4-(3-hydroxy-4-aminophenoxy)phenyl]diamantane"	397906	"NSC706831; CHEMBL1980470; NSC-706831; NCI60_037994; 1,6-Bis[4-(3-hydroxy-4-aminophenoxy)phenyl]diamantane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706831	.	.	.	.	586.7	C38H38N2O4	111	947	8.4	44	4	6	6	"InChI=1S/C38H38N2O4/c39-33-11-9-27(17-35(33)41)43-25-5-1-23(2-6-25)37-19-21-15-31-29(37)13-22-14-30(37)32(16-21)38(31,20-22)24-3-7-26(8-4-24)44-28-10-12-34(40)36(42)18-28/h1-12,17-18,21-22,29-32,41-42H,13-16,19-20,39-40H2"	C1C2CC3C4CC5CC(C1C3(C5)C6=CC=C(C=C6)OC7=CC(=C(C=C7)N)O)C4(C2)C8=CC=C(C=C8)OC9=CC(=C(C=C9)N)O	BSMHNENFPARJJF-UHFFFAOYSA-N
DG58800	"1,3-Bis[4-(4-aminophenoxy)phenyl]adamantane"	397908	"1,3-Bis[4-(4-aminophenoxy)phenyl]adamantane; NSC706833; SCHEMBL2710493; CHEMBL1971459; NSC-706833; NCI60_037996"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706833	.	.	.	.	502.6	C34H34N2O2	70.5	708	8.5	38	2	4	6	"InChI=1S/C34H34N2O2/c35-27-5-13-31(14-6-27)37-29-9-1-25(2-10-29)33-18-23-17-24(19-33)21-34(20-23,22-33)26-3-11-30(12-4-26)38-32-15-7-28(36)8-16-32/h1-16,23-24H,17-22,35-36H2"	C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)OC5=CC=C(C=C5)N)C6=CC=C(C=C6)OC7=CC=C(C=C7)N	IJRQWQGZNCDRLF-UHFFFAOYSA-N
DG58801	"1,3-Bis[4-(3-hydroxy-4-aminophenoxy)phenyl]adamantane"	397910	"NSC706835; SCHEMBL2710593; CHEMBL1966866; NSC-706835; NCI60_037998; 1,3-Bis[4-(3-hydroxy-4-aminophenoxy)phenyl]adamantane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706835	.	.	.	.	534.6	C34H34N2O4	111	788	7.8	40	4	6	6	"InChI=1S/C34H34N2O4/c35-29-11-9-27(14-31(29)37)39-25-5-1-23(2-6-25)33-16-21-13-22(17-33)19-34(18-21,20-33)24-3-7-26(8-4-24)40-28-10-12-30(36)32(38)15-28/h1-12,14-15,21-22,37-38H,13,16-20,35-36H2"	C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)OC5=CC(=C(C=C5)N)O)C6=CC=C(C=C6)OC7=CC(=C(C=C7)N)O	GZCBJBVZOBEEQS-UHFFFAOYSA-N
DG58802	"beta-D-Glucopyranosylamine,N'-(iminodi-2,1-ethanediyl)bis-, monohydrochloride"	397918	"NSC706966; 290815-75-7; CHEMBL1975945; DTXSID90327955; NSC706965; NSC707409; NSC-706965; NSC-706966; NSC-707409; .beta.-D-Glucopyranosylamine,N'-(iminodi-2,1-ethanediyl)bis-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706965	.	.	.	.	463.9	C16H34ClN3O10	216	438	.	30	12	13	10	"InChI=1S/C16H33N3O10.ClH/c20-5-7-9(22)11(24)13(26)15(28-7)18-3-1-17-2-4-19-16-14(27)12(25)10(23)8(6-21)29-16;/h7-27H,1-6H2;1H"	C(CNC1C(C(C(C(O1)CO)O)O)O)NCCNC2C(C(C(C(O2)CO)O)O)O.Cl	HHKRMEOZZYIERG-UHFFFAOYSA-N
DG58803	"4-[[1-(4-Methoxyphenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]methyl]morpholine"	397922	NSC706978; CHEMBL1972945; NSC-706978; NCI60_038013	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706978	.	.	.	.	379.5	C21H21N3O2S	67.2	496	3.6	27	0	5	4	"InChI=1S/C21H21N3O2S/c1-25-16-8-6-15(7-9-16)20-19(14-23-10-12-26-13-11-23)27-21-22-17-4-2-3-5-18(17)24(20)21/h2-9H,10-14H2,1H3"	COC1=CC=C(C=C1)C2=C(SC3=NC4=CC=CC=C4N23)CN5CCOCC5	IWIBYZHTKNJIIU-UHFFFAOYSA-N
DG58804	"N-ethyl-N-[[1-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]methyl]ethanamine"	397923	NSC706979; CHEMBL1997325; NSC-706979; NCI60_038014	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706979	.	.	.	.	365.5	C21H23N3OS	58	453	4.7	26	0	4	6	"InChI=1S/C21H23N3OS/c1-4-23(5-2)14-19-20(15-10-12-16(25-3)13-11-15)24-18-9-7-6-8-17(18)22-21(24)26-19/h6-13H,4-5,14H2,1-3H3"	CCN(CC)CC1=C(N2C3=CC=CC=C3N=C2S1)C4=CC=C(C=C4)OC	LLCYMTBWUXUDBI-UHFFFAOYSA-N
DG58805	"3-(4-Chlorophenyl)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one"	397925	NSC706981; CHEMBL1980880; NSC-706981; NCI60_038016	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706981	.	.	.	.	464.4	C24H15Cl2N3OS	73.8	676	6	31	0	4	4	"InChI=1S/C24H15Cl2N3OS/c25-16-7-5-15(6-8-16)21-14-31-23(28-21)13-22-27-20-4-2-1-3-19(20)24(30)29(22)18-11-9-17(26)10-12-18/h1-12,14H,13H2"	C1=CC=C2C(=C1)C(=O)N(C(=N2)CC3=NC(=CS3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	RMEKFIRIZBZTGS-UHFFFAOYSA-N
DG58806	"6,8-Dibromo-3-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one"	397926	NSC706982; CHEMBL1965935; NSC-706982; NCI60_038017	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706982	.	.	.	.	613.3	C26H19Br2N3O3S	92.3	773	6.1	35	0	6	6	"InChI=1S/C26H19Br2N3O3S/c1-33-18-7-3-15(4-8-18)22-14-35-24(29-22)13-23-30-25-20(11-16(27)12-21(25)28)26(32)31(23)17-5-9-19(34-2)10-6-17/h3-12,14H,13H2,1-2H3"	COC1=CC=C(C=C1)C2=CSC(=N2)CC3=NC4=C(C=C(C=C4Br)Br)C(=O)N3C5=CC=C(C=C5)OC	SORJXWPCANNSSL-UHFFFAOYSA-N
DG58807	"6,8-Dibromo-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylquinazolin-4-one"	397927	NSC706983; CHEMBL2002297; NSC-706983; NCI60_038018	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706983	.	.	.	.	569.3	C24H15Br2N3O2S	83	711	6.5	32	0	5	4	"InChI=1S/C24H15Br2N3O2S/c1-31-17-9-7-14(8-10-17)20-13-32-24(27-20)29-22(15-5-3-2-4-6-15)28-21-18(23(29)30)11-16(25)12-19(21)26/h2-13H,1H3"	COC1=CC=C(C=C1)C2=CSC(=N2)N3C(=NC4=C(C3=O)C=C(C=C4Br)Br)C5=CC=CC=C5	UTOCJVUHUIXATD-UHFFFAOYSA-N
DG58808	"4,5,14-Trimethoxy-9-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaene;chloride"	397928	CHEMBL1973499; NSC706989; NSC-706989	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706989	.	.	.	.	331.8	C18H18ClNO3	31.6	404	.	23	0	4	3	"InChI=1S/C18H18NO3.ClH/c1-20-13-6-11-4-5-19-10-12-7-16(21-2)17(22-3)9-14(12)15(8-13)18(11)19;/h6-10H,4-5H2,1-3H3;1H/q+1;/p-1"	COC1=CC2=C3C(=C1)C4=CC(=C(C=C4C=[N+]3CC2)OC)OC.[Cl-]	YBWUPYZLRVQSKI-UHFFFAOYSA-M
DG58809	NSC706993	397929	"2-[[(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]ethyl 9-oxo-10H-acridine-4-carboxylate; NSC706993; CHEMBL1981273; NSC-706993; NCI60_038020"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706993	.	.	.	.	562.7	C36H38N2O4	88	1210	5.7	42	2	6	6	"InChI=1S/C36H38N2O4/c1-3-36(41)18-16-30-26-13-11-22-21-23(12-14-24(22)25(26)15-17-35(30,36)2)37-19-20-42-34(40)29-9-6-8-28-32(29)38-31-10-5-4-7-27(31)33(28)39/h1,4-10,21,24-26,30,41H,11-20H2,2H3,(H,38,39)/t24-,25+,26+,30-,35-,36-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=NCCOC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)CC[C@H]34	RNNVAXDYBXNRQD-ZFDGKHGXSA-N
DG58810	NSC706994	397930	"2-[[(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]ethyl acridine-4-carboxylate; NSC706994; CHEMBL1971482; NSC-706994; NCI60_038021"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706994	.	.	.	.	546.7	C36H38N2O3	71.8	1130	5.9	41	1	5	6	"InChI=1S/C36H38N2O3/c1-3-36(40)18-16-31-29-13-11-23-22-26(12-14-27(23)28(29)15-17-35(31,36)2)37-19-20-41-34(39)30-9-6-8-25-21-24-7-4-5-10-32(24)38-33(25)30/h1,4-10,21-22,27-29,31,40H,11-20H2,2H3/t27-,28+,29+,31-,35-,36-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=NCCOC(=O)C5=CC=CC6=CC7=CC=CC=C7N=C65)CC[C@H]34	FGPQFRAMWAWRGN-MELLZYLFSA-N
DG58811	"Taraxast-20(30)-ene-3beta,16beta-diol"	397932	"Arnidiol; NSC707000; CHEMBL2001382; NSC-707000; NCI60_038024; Taraxast-20(30)-ene-3.beta.,16.beta.-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707000	.	.	.	.	442.7	C30H50O2	40.5	801	7.6	32	2	2	0	"InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20-,21+,22-,23+,24+,25+,27+,28-,29-,30-/m1/s1"	C[C@H]1[C@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(C[C@@H]([C@]2(CCC1=C)C)O)C)C)(C)C)O)C	IOPDFSGGBHSXSV-ZPWDLUOLSA-N
DG58812	"5-Acetyl-6-[2-(diethylamino)ethylsulfanyl]-1,3-diphenyl-2-sulfanylidenepyrimidin-4-one"	397937	NSC707006; CHEMBL1992491; NSC-707006; NCI60_038027	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707006	.	.	.	.	453.6	C24H27N3O2S2	101	693	4.5	31	0	5	9	"InChI=1S/C24H27N3O2S2/c1-4-25(5-2)16-17-31-23-21(18(3)28)22(29)26(19-12-8-6-9-13-19)24(30)27(23)20-14-10-7-11-15-20/h6-15H,4-5,16-17H2,1-3H3"	CCN(CC)CCSC1=C(C(=O)N(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C	YSKOCGLOGUJUJS-UHFFFAOYSA-N
DG58813	"N-(5-aminooxypentyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride"	397938	NSC707019; CHEMBL1974599; NSC-707019	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707019	.	.	.	.	494.1	C22H40ClN3O5S	126	640	.	32	3	8	12	"InChI=1S/C22H39N3O5S.ClH/c1-16-17(2)21(18(3)19-10-11-22(4,5)30-20(16)19)31(26,27)25(29-15-9-12-23)13-7-6-8-14-28-24;/h6-15,23-24H2,1-5H3;1H"	CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)N(CCCCCON)OCCCN)C.Cl	HJOIXHQSCXIPHV-UHFFFAOYSA-N
DG58814	NSC707020	397940	"N-(3-aminopropyl)-N-[3-[3-aminopropyl-(2,4,6-trimethylphenyl)sulfonylamino]oxypropoxy]-2,4,6-trimethylbenzenesulfonamide;hydrochloride; NSC707020; CHEMBL1966927; NSC-707020"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707020	.	.	.	.	621.3	C27H45ClN4O6S2	162	826	.	40	3	10	16	"InChI=1S/C27H44N4O6S2.ClH/c1-20-16-22(3)26(23(4)17-20)38(32,33)30(12-7-10-28)36-14-9-15-37-31(13-8-11-29)39(34,35)27-24(5)18-21(2)19-25(27)6;/h16-19H,7-15,28-29H2,1-6H3;1H"	CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCCN)OCCCON(CCCN)S(=O)(=O)C2=C(C=C(C=C2C)C)C)C.Cl	NQLDOTYIRASGAR-UHFFFAOYSA-N
DG58815	"2,5-Bis[(2,4,6-trimethylphenyl)sulfonyl]-1,6-dioxa-2,5-diazacycloundecane"	397942	NSC707021; CHEMBL1980924; NSC-707021; NCI60_038030	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707021	.	.	.	.	524.7	C25H36N2O6S2	110	789	5	35	0	8	4	"InChI=1S/C25H36N2O6S2/c1-18-14-20(3)24(21(4)15-18)34(28,29)26-10-11-27(33-13-9-7-8-12-32-26)35(30,31)25-22(5)16-19(2)17-23(25)6/h14-17H,7-13H2,1-6H3"	CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(OCCCCCO2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)C	YGOQJMDSXPOELG-UHFFFAOYSA-N
DG58816	"14-Chloro-8-azoniatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),12(17),13,15-pentaene;trifluoromethanesulfonate"	397955	NSC707029; CHEMBL2001846; NSC-707029	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707029	.	.	.	.	421.9	C18H19ClF3NO3S	68.6	581	.	27	0	6	0	"InChI=1S/C17H19ClN.CHF3O3S/c18-15-6-5-12-10-16-14(8-13(12)9-15)11-19-7-3-1-2-4-17(16)19;2-1(3,4)8(5,6)7/h5-6,9-10,14H,1-4,7-8,11H2;(H,5,6,7)/q+1;/p-1"	C1CCC2=[N+](CC1)CC3C2=CC4=C(C3)C=C(C=C4)Cl.C(F)(F)(F)S(=O)(=O)[O-]	PHOMSDLSBFFDKL-UHFFFAOYSA-M
DG58817	"Methanone, bis(4-(dimethylamino)phenyl)-, hydrazide"	397978	"Methanone, bis(4-(dimethylamino)phenyl)-, hydrazide; 65111-92-4; Bis(4-(dimethylamino)phenyl)methanone hydrazide; Bis(p-dimethylaminobenzophenone)hydrazone; Oprea1_650766; SCHEMBL5445305; CHEMBL1987597; DTXSID20215417; NSC707050; NSC-707050; NCI60_038059; 4,4'-Bis(dimethylamino)benzophenone hydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707050	.	.	.	.	282.4	C17H22N4	44.9	305	3.8	21	1	4	4	"InChI=1S/C17H22N4/c1-20(2)15-9-5-13(6-10-15)17(19-18)14-7-11-16(12-8-14)21(3)4/h5-12H,18H2,1-4H3"	CN(C)C1=CC=C(C=C1)C(=NN)C2=CC=C(C=C2)N(C)C	PCZXDDXEYBFQIQ-UHFFFAOYSA-N
DG58818	"2-anilino-N-(2-tert-butyl-2,4-dihydroxy-5-oxopyrrol-1-yl)benzamide"	398007	NSC707079; CHEMBL1979433; NSC-707079; NCI60_038075	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707079	.	.	.	.	381.4	C21H23N3O4	102	636	3.9	28	4	5	4	"InChI=1S/C21H23N3O4/c1-20(2,3)21(28)13-17(25)19(27)24(21)23-18(26)15-11-7-8-12-16(15)22-14-9-5-4-6-10-14/h4-13,22,25,28H,1-3H3,(H,23,26)"	CC(C)(C)C1(C=C(C(=O)N1NC(=O)C2=CC=CC=C2NC3=CC=CC=C3)O)O	WMUQHNIRFLEXMV-UHFFFAOYSA-N
DG58819	"5,5'-bis(2,4-dimethylphenyl)-1H,2'H-3,3'-bipyrazole"	398009	"NSC707081; CHEMBL1974399; 5,5'-bis(2,4-dimethylphenyl)-1H,2'H-3,3'-bipyrazole; ZINC1413558; STL446444; AKOS000508413; MCULE-6658099407; NSC-707081; NCI60_038076; 5,5'-bis(2,4-dimethylphenyl)-1{H},2'{H}-3,3'-bipyrazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707081	.	.	.	.	342.4	C22H22N4	57.4	427	5	26	2	2	3	"InChI=1S/C22H22N4/c1-13-5-7-17(15(3)9-13)19-11-21(25-23-19)22-12-20(24-26-22)18-8-6-14(2)10-16(18)4/h5-12H,1-4H3,(H,23,25)(H,24,26)"	CC1=CC(=C(C=C1)C2=NNC(=C2)C3=CC(=NN3)C4=C(C=C(C=C4)C)C)C	XJIUXIJADCKFIU-UHFFFAOYSA-N
DG58820	"2-Dibenzoylmethylene-2h-1,4-benzothiazin-3(4h)-one"	398013	"NSC707086; CHEMBL1967459; ZINC1656809; AKOS024377736; MCULE-9109075465; NSC-707086; NCI60_038079; 2-dibenzoylmethylene-2h-1,4-benzothiazin-3(4h)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707086	.	.	.	.	385.4	C23H15NO3S	88.5	627	4.6	28	1	4	4	"InChI=1S/C23H15NO3S/c25-20(15-9-3-1-4-10-15)19(21(26)16-11-5-2-6-12-16)22-23(27)24-17-13-7-8-14-18(17)28-22/h1-14H,(H,24,27)"	C1=CC=C(C=C1)C(=O)C(=C2C(=O)NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4	ZPFVLYZODDQHMU-UHFFFAOYSA-N
DG58821	4-Amino-5-benzoyl-2-(4-methoxyphenylamino)thiazole	398017	"dat1; 107401-70-7; [4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-phenylmethanone; 4-Amino-5-benzoyl-2-(4-methoxy phenyl amino)thiazole; 4-amino-5-benzoyl-2-(4-methoxyphenylamino)thiazole; NSC707090; SCHEMBL163591; CHEMBL551857; ZINC1656816; AKOS003597471; NSC-707090; NCI60_038082; 2-(4-Methoxyphenylamino)-4-amino-5-benzoylthiazole; 4-amino-5-benzoyl-2-(4-methoxyphenylamino) thiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707090	.	.	.	.	325.4	C17H15N3O2S	106	395	4.7	23	2	6	5	"InChI=1S/C17H15N3O2S/c1-22-13-9-7-12(8-10-13)19-17-20-16(18)15(23-17)14(21)11-5-3-2-4-6-11/h2-10H,18H2,1H3,(H,19,20)"	COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=CC=C3)N	IVBPIRYPDAOPPJ-UHFFFAOYSA-N
DG58822	"2,5-Pyrrolidinedione, 1-[(2-phenoxathiinylamino)methyl]-"	398018	"NSC707091; CHEMBL1971645; 2,5-Pyrrolidinedione, 1-[(2-phenoxathiinylamino)methyl]-; DTXSID30327959; NSC-707091; 195191-15-2; NCI60_038083"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707091	.	.	.	.	326.4	C17H14N2O3S	83.9	471	2.6	23	1	5	3	"InChI=1S/C17H14N2O3S/c20-16-7-8-17(21)19(16)10-18-11-5-6-13-15(9-11)23-14-4-2-1-3-12(14)22-13/h1-6,9,18H,7-8,10H2"	C1CC(=O)N(C1=O)CNC2=CC3=C(C=C2)OC4=CC=CC=C4S3	OATLCDUIEUHONI-UHFFFAOYSA-N
DG58823	3-(1-Phenyl-4-pentenyloxy)-4-(4-chlorophenyl)thiazole-2(3H)-thione	398021	NSC707094; CHEMBL1981418; NSC-707094; NCI60_038086; 3-(1-Phenyl-4-pentenyloxy)-4-(4-chlorophenyl)thiazole-2(3H)-thione	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707094	.	.	.	.	387.9	C20H18ClNOS2	69.9	496	6.3	25	0	3	7	"InChI=1S/C20H18ClNOS2/c1-2-3-9-19(16-7-5-4-6-8-16)23-22-18(14-25-20(22)24)15-10-12-17(21)13-11-15/h2,4-8,10-14,19H,1,3,9H2"	C=CCCC(C1=CC=CC=C1)ON2C(=CSC2=S)C3=CC=C(C=C3)Cl	KWTGPNZAKZACBM-UHFFFAOYSA-N
DG58824	"2,2-Bis(5-bromo-1H-indol-3-yl)ethylcarbamic acid tert-butyl ester"	398033	"NSC707106; CHEMBL1996675; NSC-707106; NCI60_038098; 2,2-Bis(5-bromo-1H-indol-3-yl)ethylcarbamic acid tert-butyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707106	.	.	.	.	533.3	C23H23Br2N3O2	69.9	578	6	30	3	2	6	"InChI=1S/C23H23Br2N3O2/c1-23(2,3)30-22(29)28-12-19(17-10-26-20-6-4-13(24)8-15(17)20)18-11-27-21-7-5-14(25)9-16(18)21/h4-11,19,26-27H,12H2,1-3H3,(H,28,29)"	CC(C)(C)OC(=O)NCC(C1=CNC2=C1C=C(C=C2)Br)C3=CNC4=C3C=C(C=C4)Br	CBUQBOMWRHXMKY-UHFFFAOYSA-N
DG58825	Cadambine	398038	Cadambine; NSC707140; CHEMBL1994030; NSC-707140; NCI60_038103	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707140	.	.	.	.	544.5	C27H32N2O10	163	998	-0.2	39	5	11	5	"InChI=1S/C27H32N2O10/c1-35-24(34)15-11-36-25(38-26-22(33)21(32)20(31)18(10-30)37-26)19-14(15)8-27-23-13(6-7-29(27)9-17(19)39-27)12-4-2-3-5-16(12)28-23/h2-5,11,14,17-22,25-26,28,30-33H,6-10H2,1H3"	COC(=O)C1=COC(C2C1CC34C5=C(CCN3CC2O4)C6=CC=CC=C6N5)OC7C(C(C(C(O7)CO)O)O)O	OVRROYYXOBYCSR-UHFFFAOYSA-N
DG58826	"(1R,13R)-10,22-dimethyl-8,10,20,22-tetrazahexacyclo[11.11.0.01,21.02,7.09,13.014,19]tetracosa-2,4,6,8,14,16,18,20-octaene"	398040	"NSC707150; CHEMBL1995678; PML-100; (8-8a),3'a(R); NSC-707150; NCI60_038107"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707150	.	.	.	.	342.4	C22H22N4	31.2	626	1.8	26	0	2	0	"InChI=1S/C22H22N4/c1-25-13-11-21-15-7-3-6-10-18(15)24-20-22(21,12-14-26(20)2)16-8-4-5-9-17(16)23-19(21)25/h3-10H,11-14H2,1-2H3/t21-,22-/m0/s1"	CN1CC[C@]23C1=NC4=CC=CC=C4[C@]25CCN(C5=NC6=CC=CC=C36)C	SNXAFBQZJGRMKH-VXKWHMMOSA-N
DG58827	"(1S,2S,3S)-1-dimethoxyphosphoryl-1,3-diphenylpropane-1,2,3-triol"	398049	NSC707211; CHEMBL1985407; NSC-707211; NCI60_038116	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707211	.	.	.	.	352.3	C17H21O6P	96.2	425	0.5	24	3	6	7	"InChI=1S/C17H21O6P/c1-22-24(21,23-2)17(20,14-11-7-4-8-12-14)16(19)15(18)13-9-5-3-6-10-13/h3-12,15-16,18-20H,1-2H3/t15-,16-,17-/m0/s1"	COP(=O)([C@@](C1=CC=CC=C1)([C@H]([C@H](C2=CC=CC=C2)O)O)O)OC	IFNOFTADTUSLHP-ULQDDVLXSA-N
DG58828	"4-[(1S,3S,3aR,6aS)-3,3a,6a-trihydroxy-2'-oxospiro[5,6-dihydro-4H-cyclopenta[c]furan-1,1'-cyclopentane]-3-yl]butanoic acid"	398054	NSC707231; CHEMBL1977639; NSC-707231; NCI60_038123	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707231	.	.	.	.	314.33	C15H22O7	124	520	-1.3	22	4	7	4	"InChI=1S/C15H22O7/c16-10-4-1-6-12(10)13(19)7-3-8-14(13,20)15(21,22-12)9-2-5-11(17)18/h19-21H,1-9H2,(H,17,18)/t12-,13-,14-,15+/m1/s1"	C1CC(=O)[C@]2(C1)[C@@]3(CCC[C@@]3([C@@](O2)(CCCC(=O)O)O)O)O	JDWHEOLBWSWHFS-TUVASFSCSA-N
DG58829	"3,6,10,17-Tetrazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11,13,15-hexaene"	398072	NSC707419; CHEMBL1973452; NSC-707419; NCI60_038136	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707419	.	.	.	.	224.26	C13H12N4	35.6	295	1.2	17	0	2	0	"InChI=1S/C13H12N4/c1-2-5-11-10(4-1)15-13-12-14-6-9-16(12)7-3-8-17(11)13/h1-2,4-6,9H,3,7-8H2"	C1CN2C=CN=C2C3=NC4=CC=CC=C4N3C1	OVLXNAHZWJLZBG-UHFFFAOYSA-N
DG58830	"2-(beta,beta-Dimethylacryloyl)-indole-3-acetic acid N(^tau)-tritylhistamine amide"	398074	"NSC707439; CHEMBL1980458; NSC-707439; NCI60_038138; 2-(beta,beta-Dimethylacryloyl)-indole-3-acetic acid N(^tau)-tritylhistamine amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707439	.	.	.	.	592.7	C39H36N4O2	79.8	959	7.6	45	2	3	11	"InChI=1S/C39H36N4O2/c1-28(2)24-36(44)38-34(33-20-12-13-21-35(33)42-38)25-37(45)40-23-22-32-26-43(27-41-32)39(29-14-6-3-7-15-29,30-16-8-4-9-17-30)31-18-10-5-11-19-31/h3-21,24,26-27,42H,22-23,25H2,1-2H3,(H,40,45)"	CC(=CC(=O)C1=C(C2=CC=CC=C2N1)CC(=O)NCCC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C	XPTZUSQDKZKTMO-UHFFFAOYSA-N
DG58831	ethyl 5-[3-methoxy-2-[[2-[2-(3-methylbut-2-enoyl)-1H-indol-3-yl]acetyl]amino]-3-oxopropyl]imidazole-1-carboxylate	398079	NSC707444; CHEMBL1987197; NSC-707444; NCI60_038143	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707444	.	.	.	.	480.5	C25H28N4O6	132	827	3.4	35	2	7	11	"InChI=1S/C25H28N4O6/c1-5-35-25(33)29-14-26-13-16(29)11-20(24(32)34-4)27-22(31)12-18-17-8-6-7-9-19(17)28-23(18)21(30)10-15(2)3/h6-10,13-14,20,28H,5,11-12H2,1-4H3,(H,27,31)"	CCOC(=O)N1C=NC=C1CC(C(=O)OC)NC(=O)CC2=C(NC3=CC=CC=C32)C(=O)C=C(C)C	PUABESCNNBSDMO-UHFFFAOYSA-N
DG58832	"(6'-Acetyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate"	398082	NSC707447; CHEMBL1981272; NSC-707447; NCI60_038146	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707447	.	.	.	.	400.4	C24H16O6	78.9	733	3.6	30	0	6	3	"InChI=1S/C24H16O6/c1-13(25)15-7-9-19-21(11-15)29-22-12-16(28-14(2)26)8-10-20(22)24(19)18-6-4-3-5-17(18)23(27)30-24/h3-12H,1-2H3"	CC(=O)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=CC=CC=C5C(=O)O3	PONNIYGIVODRMG-UHFFFAOYSA-N
DG58833	"2-[3,6-bis(phenylmethoxy)-9H-xanthen-9-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide"	398083	NSC707448; CHEMBL1989884; NSC-707448; NCI60_038147	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707448	.	.	.	.	677.8	C44H39NO6	75.2	999	9	51	1	6	13	"InChI=1S/C44H39NO6/c1-47-39-22-17-30(25-42(39)48-2)23-24-45-44(46)36-16-10-9-15-35(36)43-37-20-18-33(49-28-31-11-5-3-6-12-31)26-40(37)51-41-27-34(19-21-38(41)43)50-29-32-13-7-4-8-14-32/h3-22,25-27,43H,23-24,28-29H2,1-2H3,(H,45,46)"	COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CC=C2C3C4=C(C=C(C=C4)OCC5=CC=CC=C5)OC6=C3C=CC(=C6)OCC7=CC=CC=C7)OC	BFEFBCPPUDYLDD-UHFFFAOYSA-N
DG58834	"N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine;hydrobromide"	398090	NSC707454; CHEMBL1970168; NSC-707454	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707454	.	.	.	.	269.23	C9H25BrN4	76.1	77.7	.	14	5	4	10	"InChI=1S/C9H24N4.BrH/c10-4-1-6-12-8-3-9-13-7-2-5-11;/h12-13H,1-11H2;1H"	C(CN)CNCCCNCCCN.Br	UIIIHBJGAJYZMR-UHFFFAOYSA-N
DG58835	tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]carbamate	398092	NSC707457; CHEMBL2001907; NSC-707457; NCI60_038156	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707457	.	.	.	.	400.5	C18H32N4O6	117	534	0.5	28	2	6	8	"InChI=1S/C18H32N4O6/c1-17(2,3)27-15(25)19-11-13(23)21-7-9-22(10-8-21)14(24)12-20-16(26)28-18(4,5)6/h7-12H2,1-6H3,(H,19,25)(H,20,26)"	CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)C(=O)CNC(=O)OC(C)(C)C	JJPRQQAVDAJBQH-UHFFFAOYSA-N
DG58836	"[2-(Bromomethyl)-3-hydroxy-2-methylpropyl] 4-amino-3,5-dibromobenzoate"	398094	NSC707459; CHEMBL1987568; NSC-707459; NCI60_038158	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707459	.	.	.	.	459.96	C12H14Br3NO3	72.6	307	3.2	19	2	4	6	"InChI=1S/C12H14Br3NO3/c1-12(4-13,5-17)6-19-11(18)7-2-8(14)10(16)9(15)3-7/h2-3,17H,4-6,16H2,1H3"	CC(CO)(COC(=O)C1=CC(=C(C(=C1)Br)N)Br)CBr	JQCIIGGKNVESGC-UHFFFAOYSA-N
DG58837	"2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-methylpyrrolidin-1-ium-1-yl)cyclohexyl]acetamide;bromide"	398097	NSC707463; CHEMBL1997678; NSC-707463	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707463	.	.	.	.	464.3	C20H29BrCl2N2O	20.3	467	.	26	0	2	4	"InChI=1S/C20H29Cl2N2O.BrH/c1-23(20(25)14-15-9-10-16(21)17(22)13-15)18-7-3-4-8-19(18)24(2)11-5-6-12-24;/h9-10,13,18-19H,3-8,11-12,14H2,1-2H3;1H/q+1;/p-1/t18-,19-;/m0./s1"	CN([C@H]1CCCC[C@@H]1[N+]2(CCCC2)C)C(=O)CC3=CC(=C(C=C3)Cl)Cl.[Br-]	AASJJHLEKCUDRS-HLRBRJAUSA-M
DG58838	"(alphaS)-alpha-Amino-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexan-1alpha-yl]benzeneacetamide"	398107	"NSC707471; CHEMBL17328; NSC-707471; NCI60_038170; (alphaS)-alpha-Amino-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexan-1alpha-yl]benzeneacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707471	.	.	.	.	315.5	C19H29N3O	49.6	388	2.4	23	1	3	4	"InChI=1S/C19H29N3O/c1-21(19(23)18(20)15-9-3-2-4-10-15)16-11-5-6-12-17(16)22-13-7-8-14-22/h2-4,9-10,16-18H,5-8,11-14,20H2,1H3/t16-,17-,18-/m0/s1"	CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)[C@H](C3=CC=CC=C3)N	WTLHJSNHSYNTKJ-BZSNNMDCSA-N
DG58839	"2-hydroxy-N,N-di(propan-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide"	398109	NSC707474; CHEMBL2000697; NSC-707474; NCI60_038173	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707474	.	.	.	.	335.4	C22H25NO2	40.5	476	4.3	25	1	2	3	"InChI=1S/C22H25NO2/c1-15(2)23(16(3)4)21(24)22(25)19-11-7-5-9-17(19)13-14-18-10-6-8-12-20(18)22/h5-16,25H,1-4H3"	CC(C)N(C(C)C)C(=O)C1(C2=CC=CC=C2C=CC3=CC=CC=C31)O	CAKQVWVCJKDREQ-UHFFFAOYSA-N
DG58840	"4-[(S)-((2R,5S)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide"	398116	"CHEMBL65648; SNC80; SNC-67; cid_16219954; 4-[(S)-((2R,5S)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide; BDBM50039024; NSC707482; ZINC19371672; NSC-707482; NCI60_038181"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707482	.	.	.	.	449.6	C28H39N3O2	36	614	4.9	33	0	4	9	"InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m0/s1"	CCN(CC)C(=O)C1=CC=C(C=C1)[C@@H](C2=CC(=CC=C2)OC)N3C[C@@H](N(C[C@H]3C)CC=C)C	KQWVAUSXZDRQPZ-XXAUWVGASA-N
DG58841	N-methyl-2-(2-hydroxybutyl)-6-(2-hydroxypentyl)-piperidine	398123	NSC707546; CHEMBL1970190; NSC-707546; NCI60_038193; N-methyl-2-(2-hydroxybutyl)-6-(2-hydroxypentyl)-piperidine; (R)-1-[(2S)-1-Methyl-6alpha-[(S)-2-hydroxybutyl]-2alpha-piperidinyl]-2-pentanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707546	.	.	.	.	257.41	C15H31NO2	43.7	223	2.9	18	2	3	7	"InChI=1S/C15H31NO2/c1-4-7-15(18)11-13-9-6-8-12(16(13)3)10-14(17)5-2/h12-15,17-18H,4-11H2,1-3H3/t12-,13+,14+,15-/m1/s1"	CCC[C@H](C[C@@H]1CCC[C@@H](N1C)C[C@H](CC)O)O	BXDMRIPPLXNONS-CBBWQLFWSA-N
DG58842	"(3aR,5aR,8aR,8bS)-2,2-dimethyl-7-phenyl-3a,5a,8a,8b-tetrahydro-[1,3]dioxolo[4,5-e][1,3]benzoxazole"	398124	NSC707547; CHEMBL1974688; NSC-707547; NCI60_038194	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707547	.	.	.	.	271.31	C16H17NO3	40	451	2.1	20	0	4	1	"InChI=1S/C16H17NO3/c1-16(2)19-12-9-8-11-13(14(12)20-16)17-15(18-11)10-6-4-3-5-7-10/h3-9,11-14H,1-2H3/t11-,12-,13-,14-/m1/s1"	CC1(O[C@@H]2C=C[C@@H]3[C@H]([C@@H]2O1)N=C(O3)C4=CC=CC=C4)C	HCRVDZJHWORUGH-AAVRWANBSA-N
DG58843	"methyl 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-dihydroxypropyl]-5-(methoxycarbonylamino)-1H-indole-2-carboxylate"	398126	NSC707553; CHEMBL1968415; NSC-707553; NCI60_038196	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707553	.	.	.	.	438.4	C20H26N2O9	156	618	1	31	4	9	13	"InChI=1S/C20H26N2O9/c1-11(24)30-5-4-6-31-17-9-15(22-20(27)29-3)13(7-12(25)10-23)14-8-16(19(26)28-2)21-18(14)17/h8-9,12,21,23,25H,4-7,10H2,1-3H3,(H,22,27)/t12-/m0/s1"	CC(=O)OCCCOC1=C2C(=C(C(=C1)NC(=O)OC)C[C@@H](CO)O)C=C(N2)C(=O)OC	YRQLJFKFYFAWFW-LBPRGKRZSA-N
DG58844	"3-[[5-[(4-Benzylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol"	398130	NSC707557; CHEMBL1974701; NSC-707557; NCI60_038200	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707557	.	.	.	.	427.5	C19H21N7O3S	149	517	0.5	30	2	9	10	"InChI=1S/C19H21N7O3S/c27-9-16(28)10-29-13-26-15(6-22-24-26)8-25-18-17(7-23-25)19(21-12-20-18)30-11-14-4-2-1-3-5-14/h1-7,12,16,27-28H,8-11,13H2"	C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3CC4=CN=NN4COCC(CO)O	WHWAKZREZVVHIE-UHFFFAOYSA-N
DG58845	"N-Methyl-1-[[1-[(2,3-dihydroxypropoxy)methyl]-1H-1,2,3-triazole-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine-4-amine"	398132	"NSC707559; CHEMBL1968426; NSC-707559; NCI60_038202; N-Methyl-1-[[1-[(2,3-dihydroxypropoxy)methyl]-1H-1,2,3-triazole-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707559	.	.	.	.	334.33	C13H18N8O3	136	392	-1.5	24	3	9	8	"InChI=1S/C13H18N8O3/c1-14-12-11-2-17-21(13(11)16-7-15-12)4-9-3-20(19-18-9)8-24-6-10(23)5-22/h2-3,7,10,22-23H,4-6,8H2,1H3,(H,14,15,16)"	CNC1=C2C=NN(C2=NC=N1)CC3=CN(N=N3)COCC(CO)O	JDCZHTDQHYAHFZ-UHFFFAOYSA-N
DG58846	"6-(Cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diamine"	398148	"NU6027; 220036-08-8; NU 6027; 6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diamine; NU-6027; 2,6-diamino-4-cyclohexylmethoxy-5-nitrosopyrimidine; 6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE; C11H17N5O2; 2,6-Diamino-4-(cyclohexylmethoxy)-5-nitrosopyrimidine; NU 6027; SMR000568410; pyrimidine deriv.; 1e1x; MLS001074890; MLS006011251; BDBM5566; CHEMBL303958; SCHEMBL6260430; DTXSID40327960; HMS2234C12; HMS3263D06; HMS3373H16; HMS3653A07; BCP09221; EX-A5011; VIA03608; ZINC3814479; Tox21_501212; 2601AH; MFCD05664735; NSC707616; NSC756874; s7114; CCG-265018; DB08312; LP01212; NSC-707616; NSC-756874; SDCCGSBI-0633805.P001; NCGC00165844-01; NCGC00165844-02; NCGC00165844-04; NCGC00261897-01; AS-55961; HY-13816; NCI60_038218; NW1; NU6027, >=98% (HPLC); CS-0007937; SW220039-1; A14136; E77137; 2,6-diamino-5-nitroso-4-cyclohexylmethoxypyrimidine; 4-Cyclohexylmethoxy-2,6-diamino-5-nitrosopyrimidine; Q27097532"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707616	.	.	.	.	251.29	C11H17N5O2	117	272	2.1	18	2	7	3	"InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15)"	C1CCC(CC1)COC2=NC(=NC(=C2N=O)N)N	DGWXOLHKVGDQLN-UHFFFAOYSA-N
DG58847	6-(Cyclohexylmethoxy)-9-methyl-9h-purin-2-amine	398149	NU-6052; NU6052; 6-(cyclohexylmethoxy)-9-methyl-9h-purin-2-amine; CHEMBL94794; BDBM5565; NSC707617; O6-Cyclohexylmethyl-N9-methylguanine; NSC-707617; NCI60_038219; 2-amino-6-cyclohexylmethoxy-N(sup 9)-methylpurine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707617	.	.	.	.	261.32	C13H19N5O	78.8	297	2.4	19	1	5	3	"InChI=1S/C13H19N5O/c1-18-8-15-10-11(18)16-13(14)17-12(10)19-7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H2,14,16,17)"	CN1C=NC2=C1N=C(N=C2OCC3CCCCC3)N	IZBCFXDXJUOCNZ-UHFFFAOYSA-N
DG58848	"Phosphine, tris[2-(methylthio)phenyl]-"	398155	"Phosphine, tris[2-(methylthio)phenyl]-; NSC707687; SCHEMBL8724543; CHEMBL2005299; DTXSID00327961; tris(o-methylthio-phenyl)phosphine; Tris[2-(methylthio)phenyl]phosphine; NSC-707687; 17617-66-2; NCI60_038227; Tris[2-(methylsulfanyl)phenyl]phosphine #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707687	.	.	.	.	400.6	C21H21PS3	75.9	334	6.1	25	0	3	6	"InChI=1S/C21H21PS3/c1-23-19-13-7-4-10-16(19)22(17-11-5-8-14-20(17)24-2)18-12-6-9-15-21(18)25-3/h4-15H,1-3H3"	CSC1=CC=CC=C1P(C2=CC=CC=C2SC)C3=CC=CC=C3SC	DRQSTMDEXDIYTG-UHFFFAOYSA-N
DG58849	"6-Allyl-9-phenyl-1,6,9a-triaza-9aH-benzo[cd]azulene-7(6H)-one"	398156	"NSC707688; CHEMBL1975043; NSC-707688; NCI60_038228; 6-Allyl-9-phenyl-1,6,9a-triaza-9aH-benzo[cd]azulene-7(6H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707688	.	.	.	.	301.3	C19H15N3O	38.1	509	3.2	23	0	2	3	"InChI=1S/C19H15N3O/c1-2-11-21-16-10-6-9-15-13-20-22(19(15)16)17(12-18(21)23)14-7-4-3-5-8-14/h2-10,12-13H,1,11H2"	C=CCN1C2=CC=CC3=C2N(C(=CC1=O)C4=CC=CC=C4)N=C3	GLICCEHWVDLZHV-UHFFFAOYSA-N
DG58850	"4-butyl-11-methyl-1H-furo[3,4-b]oxanthren-3-one"	398158	CHEMBL373804; NSC707690; BDBM50504688; NSC-707690; NCI60_038231	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707690	.	.	.	.	310.3	C19H18O4	44.8	451	4.7	23	0	4	3	"InChI=1S/C19H18O4/c1-3-4-7-12-16-13(10-21-19(16)20)11(2)17-18(12)23-15-9-6-5-8-14(15)22-17/h5-6,8-9H,3-4,7,10H2,1-2H3"	CCCCC1=C2C(=C(C3=C1OC4=CC=CC=C4O3)C)COC2=O	ZTNQKZGZTJFNGV-UHFFFAOYSA-N
DG58851	benzamido 2-methyl-4-(4-methylphenyl)-5-phenyl-1H-pyrrole-3-carboxylate	398159	NSC707691; CHEMBL1970880; NSC-707691; NCI60_038232	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707691	.	.	.	.	410.5	C26H22N2O3	71.2	604	5.8	31	2	3	6	"InChI=1S/C26H22N2O3/c1-17-13-15-19(16-14-17)23-22(18(2)27-24(23)20-9-5-3-6-10-20)26(30)31-28-25(29)21-11-7-4-8-12-21/h3-16,27H,1-2H3,(H,28,29)"	CC1=CC=C(C=C1)C2=C(NC(=C2C(=O)ONC(=O)C3=CC=CC=C3)C)C4=CC=CC=C4	XNLUNHUXOYLIKB-UHFFFAOYSA-N
DG58852	"Benzamide, N-[[[4-(3-methoxyphenyl)-2-methyl-5-phenyl-1H-pyrrol-3-yl]carbonyl]oxy]-"	398160	"NSC707692; CHEMBL1990695; NSC-707692; NCI60_038233; Benzamide, N-[[[4-(3-methoxyphenyl)-2-methyl-5-phenyl- 1H-pyrrol-3-yl]carbonyl]oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707692	.	.	.	.	426.5	C26H22N2O4	80.4	629	5.4	32	2	4	7	"InChI=1S/C26H22N2O4/c1-17-22(26(30)32-28-25(29)19-12-7-4-8-13-19)23(20-14-9-15-21(16-20)31-2)24(27-17)18-10-5-3-6-11-18/h3-16,27H,1-2H3,(H,28,29)"	CC1=C(C(=C(N1)C2=CC=CC=C2)C3=CC(=CC=C3)OC)C(=O)ONC(=O)C4=CC=CC=C4	ZKERBMJBWOTKKI-UHFFFAOYSA-N
DG58853	benzamido 4-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate	398161	NSC707693; CHEMBL1964931; NSC-707693; NCI60_038234	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707693	.	.	.	.	430.9	C25H19ClN2O3	71.2	610	6	31	2	3	6	"InChI=1S/C25H19ClN2O3/c1-16-21(25(30)31-28-24(29)19-10-6-3-7-11-19)22(17-12-14-20(26)15-13-17)23(27-16)18-8-4-2-5-9-18/h2-15,27H,1H3,(H,28,29)"	CC1=C(C(=C(N1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)ONC(=O)C4=CC=CC=C4	FKDRXMXTHPBZKI-UHFFFAOYSA-N
DG58854	"2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile"	398162	"2-amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile; 221178-97-8; 2-amino-6-(benzylsulfanyl)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile; 2-amino-6-benzylsulfanyl-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile; NSC707694; ChemDiv1_005833; Oprea1_087599; Oprea1_430539; SCHEMBL3597566; CHEMBL1984635; HMS603J03; CCG-17727; STL115767; ZINC19805695; AKOS000522909; MCULE-7944057806; NSC-707694; NCI60_038235; SR-01000452336; SR-01000452336-1; F0182-0278"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707694	.	.	.	.	358.4	C20H14N4OS	132	553	4.1	26	2	6	4	"InChI=1S/C20H14N4OS/c21-10-16-18(14-6-8-15(25)9-7-14)17(11-22)20(24-19(16)23)26-12-13-4-2-1-3-5-13/h1-9,25H,12H2,(H2,23,24)"	C1=CC=C(C=C1)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)O)C#N	IFPNWUPLRFRCRO-UHFFFAOYSA-N
DG58855	"6-benzylsulfanyl-5-cyano-2-methyl-4-(5-methylfuran-2-yl)-N-phenyl-1,4-dihydropyridine-3-carboxamide"	398164	NSC707696; Oprea1_049970; CHEMBL1998448; AKOS016394258; MCULE-6977330956; NSC-707696; NCI60_038237	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707696	.	.	.	.	441.5	C26H23N3O2S	103	799	4.7	32	2	5	6	"InChI=1S/C26H23N3O2S/c1-17-13-14-22(31-17)24-21(15-27)26(32-16-19-9-5-3-6-10-19)28-18(2)23(24)25(30)29-20-11-7-4-8-12-20/h3-14,24,28H,16H2,1-2H3,(H,29,30)"	CC1=CC=C(O1)C2C(=C(NC(=C2C(=O)NC3=CC=CC=C3)C)SCC4=CC=CC=C4)C#N	YZDFJPNQRLDXLG-UHFFFAOYSA-N
DG58856	"2'-(ethylsulfanyl)-7',7'-dimethyl-5'-oxo-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,4'-quinoline]-3'-carbonitrile"	398165	"NSC707697; Oprea1_121076; Oprea1_596255; MLS000711511; CHEMBL1525982; HMS2632J23; ZINC5110341; STK834713; AKOS000522780; ZINC100652143; MCULE-3518553493; NSC-707697; NCI60_038238; SMR000281278; 2'-(ethylsulfanyl)-7',7'-dimethyl-5'-oxo-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,4'-quinoline]-3'-carbonitrile; 211613-59-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707697	.	.	.	.	330.5	C19H26N2OS	78.2	642	4.7	23	1	4	2	"InChI=1S/C19H26N2OS/c1-4-23-17-13(12-20)19(8-6-5-7-9-19)16-14(21-17)10-18(2,3)11-15(16)22/h21H,4-11H2,1-3H3"	CCSC1=C(C2(CCCCC2)C3=C(N1)CC(CC3=O)(C)C)C#N	GHHBOEVYGHHKAY-UHFFFAOYSA-N
DG58857	"4-(4-Butoxyphenyl)-7,7-dimethyl-2-nonylsulfanyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile"	398168	NSC707700; CHEMBL1993677; AKOS024368009; MCULE-7265845666; NSC-707700; NCI60_038240	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707700	.	.	.	.	508.8	C31H44N2O2S	87.4	842	8.7	36	1	5	14	"InChI=1S/C31H44N2O2S/c1-5-7-9-10-11-12-13-19-36-30-25(22-32)28(23-14-16-24(17-15-23)35-18-8-6-2)29-26(33-30)20-31(3,4)21-27(29)34/h14-17,28,33H,5-13,18-21H2,1-4H3"	CCCCCCCCCSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OCCCC)C#N	PNCZCNCQEQECEA-UHFFFAOYSA-N
DG58858	{[3-Cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid	398169	NSC707701; Cambridge id 5721799; Oprea1_772495; CHEMBL2003374; HMS1583N09; ZINC193194; CCG-15524; STK832336; AKOS001620314; MCULE-2743036344; NSC-707701; NCI60_038241; AB00094642-01; 2-((3-cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyri; F1187-0012; {[3-cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707701	.	.	.	.	340.4	C18H16N2O3S	109	494	3.2	24	1	6	6	"InChI=1S/C18H16N2O3S/c1-23-13-6-4-11(5-7-13)14-8-16(12-2-3-12)20-18(15(14)9-19)24-10-17(21)22/h4-8,12H,2-3,10H2,1H3,(H,21,22)"	COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)O)C3CC3	FQLUIDLLIOYMAV-UHFFFAOYSA-N
DG58859	"methyl (2R,3aS)-2-[(4-hydroxyphenyl)methyl]-1,3,3a,4-tetrahydropyrazolo[1,5-a]indole-2-carboxylate"	398179	NSC707774; CHEMBL1996525; NSC-707774; NCI60_038250	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707774	.	.	.	.	324.4	C19H20N2O3	61.8	477	3.4	24	2	5	4	"InChI=1S/C19H20N2O3/c1-24-18(23)19(11-13-6-8-16(22)9-7-13)12-15-10-14-4-2-3-5-17(14)21(15)20-19/h2-9,15,20,22H,10-12H2,1H3/t15-,19+/m0/s1"	COC(=O)[C@]1(C[C@@H]2CC3=CC=CC=C3N2N1)CC4=CC=C(C=C4)O	WNEYFHLIWBGUFH-HNAYVOBHSA-N
DG58860	"7-fluoro-9-methoxy-2,3,4,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol;hydrochloride"	398198	NSC707801; CHEMBL1997521; NSC-707801	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707801	.	.	.	.	339.8	C17H19ClFNO3	50.7	528	.	23	3	5	1	"InChI=1S/C17H18FNO3.ClH/c1-21-11-3-2-9-8-12-17(20)5-4-10(18)15-16(17,6-7-19-12)13(9)14(11)22-15;/h2-5,10,12,15,19-20H,6-8H2,1H3;1H"	COC1=C2C3=C(CC4C5(C3(CCN4)C(O2)C(C=C5)F)O)C=C1.Cl	DCUUZLMNIBYGQB-UHFFFAOYSA-N
DG58861	3-methoxy-4-[(1-phenyl-1H-tetrazol-5-yl)oxy]benzaldehyde	398233	"724755-47-9; 3-Methoxy-4-(1-phenyl-1H-tetrazol-5-yloxy)-benzaldehyde; 3-methoxy-4-((1-phenyl-1H-tetrazol-5-yl)oxy)benzaldehyde; 3-methoxy-4-[(1-phenyl-1H-tetrazol-5-yl)oxy]benzaldehyde; 3-methoxy-4-(1-phenyltetrazol-5-yl)oxybenzaldehyde; NSC707834; MLS000333337; CHEMBL1348088; HMS2809O19; ZINC1657360; BBL013193; MFCD03942488; STK803595; AKOS001477836; MCULE-8036917576; NSC-707834; NCI60_038273; SMR000436664; VS-03699; CS-0359889; 3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]benzaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707834	.	.	.	.	296.28	C15H12N4O3	79.1	365	2.5	22	0	6	5	"InChI=1S/C15H12N4O3/c1-21-14-9-11(10-20)7-8-13(14)22-15-16-17-18-19(15)12-5-3-2-4-6-12/h2-10H,1H3"	COC1=C(C=CC(=C1)C=O)OC2=NN=NN2C3=CC=CC=C3	OEPJPTAWNNFNIP-UHFFFAOYSA-N
DG58862	"4-Bromo-5-(2,3-dimethoxyphenyl)-2-azabicyclo[3.3.1]nonane;hydrobromide"	398239	NSC707839; CHEMBL1977906; NSC-707839	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707839	.	.	.	.	421.2	C16H23Br2NO2	30.5	340	.	21	2	3	3	"InChI=1S/C16H22BrNO2.BrH/c1-19-13-7-3-6-12(15(13)20-2)16-8-4-5-11(9-16)18-10-14(16)17;/h3,6-7,11,14,18H,4-5,8-10H2,1-2H3;1H"	COC1=CC=CC(=C1OC)C23CCCC(C2)NCC3Br.Br	BWPOJWDAYRTOPG-UHFFFAOYSA-N
DG58863	"Morphinan, 8,14-dedihydro-7-iodo-4,5-epoxy-3,6,6,-trimethoxy-N-methyl-"	398249	"NSC707848; CHEMBL2000170; NSC-707848; NCI60_038280; Morphinan, 8,14-dedihydro-7-iodo-4,5-epoxy-3,6,6,-trimethoxy-N-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707848	.	.	.	.	469.3	C20H24INO4	40.2	623	2.4	26	0	5	3	"InChI=1S/C20H24INO4/c1-22-8-7-19-12-10-15(21)20(24-3,25-4)18(19)26-17-14(23-2)6-5-11(16(17)19)9-13(12)22/h5-6,10,13,15,18H,7-9H2,1-4H3"	CN1CCC23C4C(C(C=C2C1CC5=C3C(=C(C=C5)OC)O4)I)(OC)OC	CFQVRXZCCTVTIK-UHFFFAOYSA-N
DG58864	"Ethyl 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate"	398263	NSC707977; CHEMBL1979355; NSC-707977; NCI60_038285	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707977	.	.	.	.	481	C23H17ClN4O2S2	142	814	5.8	32	1	6	6	"InChI=1S/C23H17ClN4O2S2/c1-2-30-22(29)19-21(28(23(31)32-19)16-10-8-15(24)9-11-16)27-13-18(17(12-25)20(27)26)14-6-4-3-5-7-14/h3-11,13H,2,26H2,1H3"	CCOC(=O)C1=C(N(C(=S)S1)C2=CC=C(C=C2)Cl)N3C=C(C(=C3N)C#N)C4=CC=CC=C4	HFAZFBLYMSUHNK-UHFFFAOYSA-N
DG58865	"[4-[[2-(1H-indol-2-yl)-1,3-dioxolan-2-yl]methyl]piperidin-1-yl]-phenylmethanone"	398268	NSC707982; CHEMBL1973895; NSC-707982; NCI60_038287	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707982	.	.	.	.	390.5	C24H26N2O3	54.6	563	3.6	29	1	3	4	"InChI=1S/C24H26N2O3/c27-23(19-6-2-1-3-7-19)26-12-10-18(11-13-26)17-24(28-14-15-29-24)22-16-20-8-4-5-9-21(20)25-22/h1-9,16,18,25H,10-15,17H2"	C1CN(CCC1CC2(OCCO2)C3=CC4=CC=CC=C4N3)C(=O)C5=CC=CC=C5	UUEFOWLBMYCSFM-UHFFFAOYSA-N
DG58866	"[4-[[2-(1-Ethoxyindol-2-yl)-1,3-dioxolan-2-yl]methyl]piperidin-1-yl]-phenylmethanone"	398269	NSC707983; CHEMBL1994994; NSC-707983; NCI60_038288	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707983	.	.	.	.	434.5	C26H30N2O4	52.9	623	4.3	32	0	4	6	"InChI=1S/C26H30N2O4/c1-2-32-28-23-11-7-6-10-22(23)18-24(28)26(30-16-17-31-26)19-20-12-14-27(15-13-20)25(29)21-8-4-3-5-9-21/h3-11,18,20H,2,12-17,19H2,1H3"	CCON1C2=CC=CC=C2C=C1C3(OCCO3)CC4CCN(CC4)C(=O)C5=CC=CC=C5	JHLDIXUZPSNKGX-UHFFFAOYSA-N
DG58867	NSC707985	398271	"methyl 4-[2,3-dihydro-1H-indol-2-yl-(4-methoxyphenyl)methyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate; NSC707985; CHEMBL2006939; NSC-707985; NCI60_038289"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707985	.	.	.	.	651.8	C39H45N3O6	104	1240	5.8	48	3	9	8	"InChI=1S/C39H45N3O6/c1-6-37-16-9-18-42-19-17-38(33(37)42)27-21-26(31(47-4)22-30(27)41(2)34(38)39(45,35(37)43)36(44)48-5)32(23-12-14-25(46-3)15-13-23)29-20-24-10-7-8-11-28(24)40-29/h7-16,21-22,29,32-35,40,43,45H,6,17-20H2,1-5H3"	CCC12C=CCN3C1C4(CC3)C(C(C2O)(C(=O)OC)O)N(C5=C4C=C(C(=C5)OC)C(C6CC7=CC=CC=C7N6)C8=CC=C(C=C8)OC)C	FFFPTBHPOIDPQZ-UHFFFAOYSA-N
DG58868	"(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl) N,N-dimethylcarbamate"	398279	NSC707993; CHEMBL1980578; NSC-707993; NCI60_038291	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707993	.	.	.	.	210.27	C11H18N2O2	32.8	299	1	15	0	3	2	"InChI=1S/C11H18N2O2/c1-12(2)11(14)15-10-6-8-4-5-9(7-10)13(8)3/h6,8-9H,4-5,7H2,1-3H3"	CN1C2CCC1C=C(C2)OC(=O)N(C)C	RTYZIDURQOZQMO-UHFFFAOYSA-N
DG58869	"3-(6-Chloroimidazo[1,2-a]pyridin-2-yl)phenol"	398301	"3-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenol; NSC708015; CHEMBL1991532; ZINC337734; NSC-708015; NCI60_038296; AQ-776/42801493"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708015	.	.	.	.	244.67	C13H9ClN2O	37.5	276	3.7	17	1	2	1	"InChI=1S/C13H9ClN2O/c14-10-4-5-13-15-12(8-16(13)7-10)9-2-1-3-11(17)6-9/h1-8,17H"	C1=CC(=CC(=C1)O)C2=CN3C=C(C=CC3=N2)Cl	KCUZXFOLZTYCHB-UHFFFAOYSA-N
DG58870	"3-[6-(Trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenol"	398313	NSC708027; CHEMBL1969334; NSC-708027; NCI60_038297	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708027	.	.	.	.	278.23	C14H9F3N2O	37.5	350	4	20	1	5	1	"InChI=1S/C14H9F3N2O/c15-14(16,17)10-4-5-13-18-12(8-19(13)7-10)9-2-1-3-11(20)6-9/h1-8,20H"	C1=CC(=CC(=C1)O)C2=CN3C=C(C=CC3=N2)C(F)(F)F	GKPCPOYJDIZXPA-UHFFFAOYSA-N
DG58871	"phenyl N-(2-phenylimidazo[1,2-a]pyridin-6-yl)carbamate"	398321	NSC708035; CHEMBL1964390; NSC-708035; NCI60_038299	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708035	.	.	.	.	329.4	C20H15N3O2	55.6	446	4.6	25	1	3	4	"InChI=1S/C20H15N3O2/c24-20(25-17-9-5-2-6-10-17)21-16-11-12-19-22-18(14-23(19)13-16)15-7-3-1-4-8-15/h1-14H,(H,21,24)"	C1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)NC(=O)OC4=CC=CC=C4	OHJQGUHKCHBHLC-UHFFFAOYSA-N
DG58872	ethyl 5-cyano-2-thiophen-3-yl-1H-pyrrole-3-carboxylate	398328	NSC708047; CHEMBL1997646; NSC-708047; NCI60_038305	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708047	.	.	.	.	246.29	C12H10N2O2S	94.1	339	2.3	17	1	4	4	"InChI=1S/C12H10N2O2S/c1-2-16-12(15)10-5-9(6-13)14-11(10)8-3-4-17-7-8/h3-5,7,14H,2H2,1H3"	CCOC(=O)C1=C(NC(=C1)C#N)C2=CSC=C2	JFFCQHWBNOXQCT-UHFFFAOYSA-N
DG58873	"Piperazine-2,5,5-tetracarbonitrile, 3,6-dipropyl-"	398330	"NSC708049; CHEMBL2005147; NSC-708049; NCI60_038307; Piperazine-2,5,5-tetracarbonitrile, 3,6-dipropyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708049	.	.	.	.	270.33	C14H18N6	119	472	1	20	2	6	4	"InChI=1S/C14H18N6/c1-3-5-11-13(7-15,8-16)20-12(6-4-2)14(9-17,10-18)19-11/h11-12,19-20H,3-6H2,1-2H3"	CCCC1C(NC(C(N1)(C#N)C#N)CCC)(C#N)C#N	BSUVUTZXPNGHHL-UHFFFAOYSA-N
DG58874	"3-Hydroxy-2,2,7,7-tetramethylcyclohept-5-ene-1,4-dione"	398341	"NSC708061; CHEMBL1977176; 3-hydroxy-2,2,7,7-tetramethylcyclohept-5-ene-1,4-dione; NSC-708061; NCI60_038312; 3-hydroxy-2,2,7,7-tetramethyl-5-cycloheptene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708061	.	.	.	.	196.24	C11H16O3	54.4	311	1.2	14	1	3	0	"InChI=1S/C11H16O3/c1-10(2)6-5-7(12)8(13)11(3,4)9(10)14/h5-6,8,13H,1-4H3"	CC1(C=CC(=O)C(C(C1=O)(C)C)O)C	PXQDZCALRJLKKY-UHFFFAOYSA-N
DG58875	2-ethoxy-6-(hydroxymethyl)-2H-pyran-5-one	398342	NSC708062; CHEMBL1983776; NSC-708062; NCI60_038313	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708062	.	.	.	.	172.18	C8H12O4	55.8	188	0.3	12	1	4	3	"InChI=1S/C8H12O4/c1-2-11-8-4-3-6(10)7(5-9)12-8/h3-4,7-9H,2,5H2,1H3"	CCOC1C=CC(=O)C(O1)CO	DSLXQUZNOYUOKK-UHFFFAOYSA-N
DG58876	"8-Methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-3,4,15-triol"	398346	NSC708066; CHEMBL1997482; NSC-708066; NCI60_038314	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708066	.	.	.	.	283.32	C17H17NO3	63.9	404	3	21	3	4	0	"InChI=1S/C17H17NO3/c1-18-12-4-2-3-9-7-10(19)8-11(15(9)12)16-13(18)5-6-14(20)17(16)21/h5-8,12,19-21H,2-4H2,1H3"	CN1C2CCCC3=C2C(=CC(=C3)O)C4=C1C=CC(=C4O)O	NBJKYQQKAMIUSO-UHFFFAOYSA-N
DG58877	"13-Methyl-4,6-dioxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(19),2(10),3(7),8,16(20),17-hexaen-18-amine"	398347	NSC708067; CHEMBL1984127; SCHEMBL10381534; NSC-708067; NCI60_038315	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708067	.	.	.	.	294.3	C18H18N2O2	47.7	445	2.6	22	1	4	0	"InChI=1S/C18H18N2O2/c1-20-5-4-11-6-12(19)8-13-16(11)14(20)7-10-2-3-15-18(17(10)13)22-9-21-15/h2-3,6,8,14H,4-5,7,9,19H2,1H3"	CN1CCC2=C3C1CC4=C(C3=CC(=C2)N)C5=C(C=C4)OCO5	GFLPGNFIZZGPRP-UHFFFAOYSA-N
DG58878	"2-amino-N-[4,5-dichloro-2-[[methyl-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]methyl]phenyl]acetamide"	398349	NSC708073; CHEMBL1972811; NSC-708073; NCI60_038319	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708073	.	.	.	.	413.4	C20H30Cl2N4O	61.6	489	3.1	27	2	4	6	"InChI=1S/C20H30Cl2N4O/c1-25(18-6-2-3-7-19(18)26-8-4-5-9-26)13-14-10-15(21)16(22)11-17(14)24-20(27)12-23/h10-11,18-19H,2-9,12-13,23H2,1H3,(H,24,27)/t18-,19-/m0/s1"	CN(CC1=CC(=C(C=C1NC(=O)CN)Cl)Cl)[C@H]2CCCC[C@@H]2N3CCCC3	VXWXQUXBJFNWBL-OALUTQOASA-N
DG58879	"Propionamide, 3-boc-amino-N-[1-[2-thionaphthenyl]cyclohexyl]-"	398379	"NSC708092; CHEMBL1978752; NSC-708092; NCI60_038337; Propionamide, 3-boc-amino-N-[1-[2-thionaphthenyl]cyclohexyl]-; tert-Butyl 3-([1-(1-benzothien-2-yl)cyclohexyl]amino)-3-oxopropylcarbamate #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708092	.	.	.	.	402.6	C22H30N2O3S	95.7	555	4.3	28	2	4	7	"InChI=1S/C22H30N2O3S/c1-21(2,3)27-20(26)23-14-11-19(25)24-22(12-7-4-8-13-22)18-15-16-9-5-6-10-17(16)28-18/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3,(H,23,26)(H,24,25)"	CC(C)(C)OC(=O)NCCC(=O)NC1(CCCCC1)C2=CC3=CC=CC=C3S2	AYFQZGKBCJUBOZ-UHFFFAOYSA-N
DG58880	N-[1-(1-benzothiophen-2-yl)cyclohexyl]pentanamide	398381	NSC708094; CHEMBL1984565; NSC-708094; NCI60_038339	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708094	.	.	.	.	315.5	C19H25NOS	57.3	378	5.1	22	1	2	5	"InChI=1S/C19H25NOS/c1-2-3-11-18(21)20-19(12-7-4-8-13-19)17-14-15-9-5-6-10-16(15)22-17/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3,(H,20,21)"	CCCCC(=O)NC1(CCCCC1)C2=CC3=CC=CC=C3S2	ANMVVQHZFJQQJZ-UHFFFAOYSA-N
DG58881	1-[1alpha-(Benzo[b]thiophen-2-yl)-4beta-isothiocyanatocyclohexyl]piperidine	398383	NSC708096; CHEMBL1967622; NSC-708096; NCI60_038340; 1-[1alpha-(Benzo[b]thiophen-2-yl)-4beta-isothiocyanatocyclohexyl]piperidine; 1-[1alpha-(Benzo[b]thiophen-2-yl)-4alpha-isothiocyanatocyclohexyl]piperidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708096	.	.	.	.	356.6	C20H24N2S2	75.9	474	6.1	24	0	4	3	"InChI=1S/C20H24N2S2/c23-15-21-17-8-10-20(11-9-17,22-12-4-1-5-13-22)19-14-16-6-2-3-7-18(16)24-19/h2-3,6-7,14,17H,1,4-5,8-13H2"	C1CCN(CC1)C2(CCC(CC2)N=C=S)C3=CC4=CC=CC=C4S3	OHYWQCRPXXLZMZ-UHFFFAOYSA-N
DG58882	4-(1-Benzothiophen-2-yl)-4-piperidin-1-ylcyclohexan-1-amine	398392	NSC708105; CHEMBL1976034; NSC-708105; NCI60_038342	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708105	.	.	.	.	314.5	C19H26N2S	57.5	372	3.8	22	1	3	2	"InChI=1S/C19H26N2S/c20-16-8-10-19(11-9-16,21-12-4-1-5-13-21)18-14-15-6-2-3-7-17(15)22-18/h2-3,6-7,14,16H,1,4-5,8-13,20H2"	C1CCN(CC1)C2(CCC(CC2)N)C3=CC4=CC=CC=C4S3	GQZMPYDZSHSPLL-UHFFFAOYSA-N
DG58883	Methanesulfonic acid;2-[3-(1-piperidin-1-ylcyclohexyl)phenoxy]ethanamine	398428	NSC708130; CHEMBL1989338; NSC-708130	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708130	.	.	.	.	398.6	C20H34N2O4S	101	414	.	27	2	6	5	"InChI=1S/C19H30N2O.CH4O3S/c20-12-15-22-18-9-7-8-17(16-18)19(10-3-1-4-11-19)21-13-5-2-6-14-21;1-5(2,3)4/h7-9,16H,1-6,10-15,20H2;1H3,(H,2,3,4)"	CS(=O)(=O)O.C1CCC(CC1)(C2=CC(=CC=C2)OCCN)N3CCCCC3	QFWWOKXUWCCHPG-UHFFFAOYSA-N
DG58884	NSC708237	398461	"1-[(4aS,6R,7S,8S,8aS)-8-hydroxy-3-methyl-7-phenylmethoxy-6-(phenylmethoxymethyl)-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]oxathiin-2-yl]ethanone; NSC708237; CHEMBL1975797; NSC-708237; NCI60_038358"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708237	.	.	.	.	456.6	C25H28O6S	99.5	655	3.1	32	1	7	8	"InChI=1S/C25H28O6S/c1-16(26)23-17(2)30-25-24(32-23)21(27)22(29-14-19-11-7-4-8-12-19)20(31-25)15-28-13-18-9-5-3-6-10-18/h3-12,20-22,24-25,27H,13-15H2,1-2H3/t20-,21+,22-,24+,25-/m1/s1"	CC1=C(S[C@H]2[C@H]([C@@H]([C@H](O[C@H]2O1)COCC3=CC=CC=C3)OCC4=CC=CC=C4)O)C(=O)C	WUYSQXJGOOIPRC-SBSLQGDRSA-N
DG58885	Cbz-[Lys3]-Didemnin B	398464	NSC708240; Cbz-[Lys3]-Didemnin B; NSC-708240; NCI60_038360	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708240	.	.	.	.	1261.5	C65H96N8O17	326	2450	6.1	90	6	17	21	"InChI=1S/C65H96N8O17/c1-13-39(6)53-51(75)35-52(76)90-56(38(4)5)55(77)40(7)57(78)67-46(23-17-18-30-66-65(86)88-36-44-21-15-14-16-22-44)61(82)73-32-20-25-48(73)63(84)71(11)50(34-43-26-28-45(87-12)29-27-43)64(85)89-42(9)54(59(80)68-53)69-58(79)49(33-37(2)3)70(10)62(83)47-24-19-31-72(47)60(81)41(8)74/h14-16,21-22,26-29,37-42,46-51,53-54,56,74-75H,13,17-20,23-25,30-36H2,1-12H3,(H,66,86)(H,67,78)(H,68,80)(H,69,79)/t39-,40+,41-,42+,46-,47 ,48-,49+,50-,51-,53+,54-,56-/m0/s1"	CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)C3CCCN3C(=O)[C@H](C)O)C)CC4=CC=C(C=C4)OC)C)CCCCNC(=O)OCC5=CC=CC=C5)C)C(C)C)O	LLDILYQOTFCUPG-UUVWMACASA-N
DG58886	"2,3-Dimethoxy-7,12-dihydro-9-cyanoindolo[3,2-d][1]benzazepine-6(5H)-one"	398465	"Paullone Analog 4; NSC708244; 9-cyano-2,3-dimethoxypaullone; BDBM7265; CHEMBL325654; SCHEMBL5688104; NSC 708244; NSC-708244; NCI60_038361; Indolo[3, 9-cyano-2,3-dimethoxy-~7,12-dihydro-; 2,3-Dimethoxy-7,12-dihydro-9-cyanoindolo[3,2-d][1]benzazepine-6(5H)-one; 4,5-dimethoxy-9-oxo-8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaene-14-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708244	.	.	.	.	333.3	C19H15N3O3	87.1	574	2.2	25	2	4	2	"InChI=1S/C19H15N3O3/c1-24-16-6-13-15(8-17(16)25-2)21-18(23)7-12-11-5-10(9-20)3-4-14(11)22-19(12)13/h3-6,8,22H,7H2,1-2H3,(H,21,23)"	COC1=C(C=C2C(=C1)C3=C(CC(=O)N2)C4=C(N3)C=CC(=C4)C#N)OC	TUMYZJPVQGGVEN-UHFFFAOYSA-N
DG58887	"7H-Thiazolo(3,2-a)pyrimidin-7-one, 6-ethyl-2,3-dihydro-3-(2-hydroxyethoxy)-5-(1-naphthalenylmethyl)-"	398467	"199852-30-7; 7H-Thiazolo(3,2-a)pyrimidin-7-one, 6-ethyl-2,3-dihydro-3-(2-hydroxyethoxy)-5-(1-naphthalenylmethyl)-; 7H-Thiazolo[3,2-a]pyrimidin-7-one, 6-ethyl-2,3-dihydro-3-(2-hydroxyethoxy)-5-(1-naphthalenylmethyl)-; NSC708371; CHEMBL1972296; DTXSID40941943; NSC-708371; NCI60_038364; 3-(2-Hydroxyethoxy)-5-(1-naphthylmethyl)-6-ethyl-2,3-dihydro-7H-thiazolo[3,2-a]pyrimidin-7-one; 6-ethyl-3-(2-hydroxyethoxy)-5-(1-naphthylmethyl)-2,3-dihydrothiazolo[3,2-a]pyrimidin-7-one; 6-Ethyl-3-(2-hydroxyethoxy)-5-[(naphthalen-1-yl)methyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708371	.	.	.	.	382.5	C21H22N2O3S	87.4	633	3.5	27	1	4	6	"InChI=1S/C21H22N2O3S/c1-2-16-18(12-15-8-5-7-14-6-3-4-9-17(14)15)23-19(26-11-10-24)13-27-21(23)22-20(16)25/h3-9,19,24H,2,10-13H2,1H3"	CCC1=C(N2C(CSC2=NC1=O)OCCO)CC3=CC=CC4=CC=CC=C43	TVYUHQCANCYRBZ-UHFFFAOYSA-N
DG58888	"(1'R,2'R,8'S,10'S)-10'-phenylsulfanylspiro[1,3-dioxolane-2,9'-7-oxa-6-azatricyclo[6.4.0.02,6]dodecane]-12'-one"	398472	CHEMBL1977510; NSC708375; NSC-708375; NCI60_038367	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708375	.	.	.	.	347.4	C18H21NO4S	73.3	503	1.9	24	0	6	2	"InChI=1S/C18H21NO4S/c20-14-11-15(24-12-5-2-1-3-6-12)18(21-9-10-22-18)17-16(14)13-7-4-8-19(13)23-17/h1-3,5-6,13,15-17H,4,7-11H2/t13-,15+,16+,17+/m1/s1"	C1C[C@@H]2[C@@H]3[C@@H](C4([C@H](CC3=O)SC5=CC=CC=C5)OCCO4)ON2C1	SDRYWBREBZUFOO-IWCQGFGOSA-N
DG58889	"4-(3-Thioxo-3H-1,2-dithiol-4-yl)-5,6-dihydro-4H-1,2,7-trithia-4-aza-3H-indene-3-thione"	398473	"NSC708376; CHEMBL1983749; ZINC1657674; NSC-708376; NCI60_038368; 4-(3-Thioxo-3H-1,2-dithiol-4-yl)-5,6-dihydro-4H-1,2,7-trithia-4-aza-3H-indene-3-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708376	.	.	.	.	339.6	C8H5NS7	194	438	3	16	0	8	1	"InChI=1S/C8H5NS7/c10-6-4(3-13-14-6)9-1-2-12-8-5(9)7(11)15-16-8/h3H,1-2H2"	C1CSC2=C(N1C3=CSSC3=S)C(=S)SS2	YMPRJLUPPXRQIH-UHFFFAOYSA-N
DG58890	"3-Bromo-2,3-dihydro-4h-1,4-thiazepino[2,3,4-iu]quinolinium bromide"	398483	"NSC708387; CHEMBL2003691; NSC-708387; 3-bromo-2,3-dihydro-4h-1,4-thiazepino[2,3,4-iu]quinolinium bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708387	.	.	.	.	361.1	C12H11Br2NS	29.2	236	.	16	0	2	0	"InChI=1S/C12H11BrNS.BrH/c13-10-7-14-6-2-4-9-3-1-5-11(12(9)14)15-8-10;/h1-6,10H,7-8H2;1H/q+1;/p-1"	C1C(CSC2=CC=CC3=C2[N+]1=CC=C3)Br.[Br-]	VBVMKTGVKGCKSO-UHFFFAOYSA-M
DG58891	"Bis[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)methyl] sulfate"	398487	NSC708390; CHEMBL1991236; NSC-708390; NCI60_038372	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708390	.	.	.	.	426.4	C10H18O12S3	183	690	-0.5	25	0	12	6	"InChI=1S/C10H18O12S3/c1-9(3-17-23(11,12)18-4-9)7-21-25(15,16)22-8-10(2)5-19-24(13,14)20-6-10/h3-8H2,1-2H3"	CC1(COS(=O)(=O)OC1)COS(=O)(=O)OCC2(COS(=O)(=O)OC2)C	OGJMCYIMYPHSFT-UHFFFAOYSA-N
DG58892	"5,6-Bis[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazine-2,3-dicarbonitrile"	398490	NSC708393; CHEMBL1987814; NSC-708393; NCI60_038373	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708393	.	.	.	.	418.6	C14H10N8S4	232	526	2.3	26	0	12	6	"InChI=1S/C14H10N8S4/c1-7-19-21-13(25-7)23-5-11-12(6-24-14-22-20-8(2)26-14)18-10(4-16)9(3-15)17-11/h5-6H2,1-2H3"	CC1=NN=C(S1)SCC2=C(N=C(C(=N2)C#N)C#N)CSC3=NN=C(S3)C	KFQJGKGGAHEPIT-UHFFFAOYSA-N
DG58893	"5,6-Bis(1,2,5-thiadiazol-3-ylsulfanyl)pyrazine-2,3-dicarbonitrile"	398491	NSC708394; CHEMBL1994277; NSC-708394; NCI60_038374	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708394	.	.	.	.	362.4	C10H2N8S4	232	444	2.2	22	0	12	4	InChI=1S/C10H2N8S4/c11-1-5-6(2-12)16-10(20-8-4-14-22-18-8)9(15-5)19-7-3-13-21-17-7/h3-4H	C1=NSN=C1SC2=NC(=C(N=C2SC3=NSN=C3)C#N)C#N	RFAGHUAXDUQPNX-UHFFFAOYSA-N
DG58894	Didemnimide A	398493	"Didemnimide A; CHEBI:67326; NSC708404; SCHEMBL5228651; CHEMBL1789638; 3-(1H-imidazol-5-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione; NSC-708404; NCI60_038376; Q27135783; 1H-pyrrole-2,5-dione, 3-(1H-imidazol-5-yl)-4-(1H-indol-3-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708404	.	.	.	.	278.26	C15H10N4O2	90.6	516	0.9	21	3	3	2	"InChI=1S/C15H10N4O2/c20-14-12(9-5-17-10-4-2-1-3-8(9)10)13(15(21)19-14)11-6-16-7-18-11/h1-7,17H,(H,16,18)(H,19,20,21)"	C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CN=CN4	HYVUONWSNKUQCE-UHFFFAOYSA-N
DG58895	Didemnimide B	398495	"DIDEMNIMIDE B; CHEBI:67327; NSC708406; CHEMBL1789362; 3-(6-bromo-1H-indol-3-yl)-4-(1H-imidazol-5-yl)-1H-pyrrole-2,5-dione; NSC-708406; NCI60_038378; Q27135784; 1H-pyrrole-2,5-dione, 3-(6-bromo-1H-indol-3-yl)-4-(1H-imidazol-5-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708406	.	.	.	.	357.16	C15H9BrN4O2	90.6	550	1.6	22	3	3	2	"InChI=1S/C15H9BrN4O2/c16-7-1-2-8-9(4-18-10(8)3-7)12-13(11-5-17-6-19-11)15(22)20-14(12)21/h1-6,18H,(H,17,19)(H,20,21,22)"	C1=CC2=C(C=C1Br)NC=C2C3=C(C(=O)NC3=O)C4=CN=CN4	JAEXYIAXFPZAAX-UHFFFAOYSA-N
DG58896	"3-[2-(4-Oxo-2-phenyl-1,3-thiazolidin-3-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-1,3-thiazolidin-4-one"	398508	NSC708419; CHEMBL1985008; NSC-708419; NCI60_038388	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708419	.	.	.	.	546.7	C26H18N4O2S4	174	786	6.4	36	0	8	4	"InChI=1S/C26H18N4O2S4/c31-21-13-33-23(15-7-3-1-4-8-15)29(21)25-27-17-11-20-18(12-19(17)35-25)28-26(36-20)30-22(32)14-34-24(30)16-9-5-2-6-10-16/h1-12,23-24H,13-14H2"	C1C(=O)N(C(S1)C2=CC=CC=C2)C3=NC4=CC5=C(C=C4S3)N=C(S5)N6C(SCC6=O)C7=CC=CC=C7	JKXMUKJJIIIQFT-UHFFFAOYSA-N
DG58897	NSC708420	398509	"3-[2-(4-Oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-thiophen-2-yl-1,3-thiazolidin-4-one; NSC708420; CHEMBL1968639; NSC-708420; NCI60_038389"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708420	.	.	.	.	558.8	C22H14N4O2S6	230	773	5.8	34	0	10	4	"InChI=1S/C22H14N4O2S6/c27-17-9-31-19(13-3-1-5-29-13)25(17)21-23-11-7-16-12(8-15(11)33-21)24-22(34-16)26-18(28)10-32-20(26)14-4-2-6-30-14/h1-8,19-20H,9-10H2"	C1C(=O)N(C(S1)C2=CC=CS2)C3=NC4=CC5=C(C=C4S3)N=C(S5)N6C(SCC6=O)C7=CC=CS7	MNZHIBLCDZOYRG-UHFFFAOYSA-N
DG58898	NSC708422	398511	"2-(3-Ethoxy-4-hydroxyphenyl)-3-[2-[2-(3-ethoxy-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one; NSC708422; CHEMBL1971291; NSC-708422; NCI60_038391"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708422	.	.	.	.	666.8	C30H26N4O6S4	232	985	6.3	44	2	12	8	"InChI=1S/C30H26N4O6S4/c1-3-39-21-9-15(5-7-19(21)35)27-33(25(37)13-41-27)29-31-17-11-24-18(12-23(17)43-29)32-30(44-24)34-26(38)14-42-28(34)16-6-8-20(36)22(10-16)40-4-2/h5-12,27-28,35-36H,3-4,13-14H2,1-2H3"	CCOC1=C(C=CC(=C1)C2N(C(=O)CS2)C3=NC4=CC5=C(C=C4S3)N=C(S5)N6C(SCC6=O)C7=CC(=C(C=C7)O)OCC)O	VVWWZRCNTGXOOA-UHFFFAOYSA-N
DG58899	NSC708423	398512	"2-[4-(Dimethylamino)phenyl]-3-[2-[2-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one; NSC708423; CHEMBL1995856; NSC-708423; NCI60_038392"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708423	.	.	.	.	632.9	C30H28N6O2S4	180	928	6.6	42	0	10	6	"InChI=1S/C30H28N6O2S4/c1-33(2)19-9-5-17(6-10-19)27-35(25(37)15-39-27)29-31-21-13-24-22(14-23(21)41-29)32-30(42-24)36-26(38)16-40-28(36)18-7-11-20(12-8-18)34(3)4/h5-14,27-28H,15-16H2,1-4H3"	CN(C)C1=CC=C(C=C1)C2N(C(=O)CS2)C3=NC4=CC5=C(C=C4S3)N=C(S5)N6C(SCC6=O)C7=CC=C(C=C7)N(C)C	AEFVIBMEMPNIPL-UHFFFAOYSA-N
DG58900	NSC708424	398513	"2-(2-Hydroxyphenyl)-3-[2-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one; NSC708424; CHEMBL1976779; NSC-708424; NCI60_038393"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708424	.	.	.	.	578.7	C26H18N4O4S4	214	862	5.7	38	2	10	4	"InChI=1S/C26H18N4O4S4/c31-17-7-3-1-5-13(17)23-29(21(33)11-35-23)25-27-15-9-20-16(10-19(15)37-25)28-26(38-20)30-22(34)12-36-24(30)14-6-2-4-8-18(14)32/h1-10,23-24,31-32H,11-12H2"	C1C(=O)N(C(S1)C2=CC=CC=C2O)C3=NC4=CC5=C(C=C4S3)N=C(S5)N6C(SCC6=O)C7=CC=CC=C7O	LSMLQEZFWSGCQA-UHFFFAOYSA-N
DG58901	"N-[3-methoxy-4-(6H-pyrrolo[3,2-f]quinolin-1-ylmethylamino)phenyl]methanesulfonamide"	398515	NSC708426; CHEMBL2004054; NSC-708426; NCI60_038395	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708426	.	.	.	.	396.5	C20H20N4O3S	100	935	2.1	28	3	7	6	"InChI=1S/C20H20N4O3S/c1-27-19-10-14(24-28(2,25)26)5-6-17(19)22-11-13-12-23-18-8-7-16-15(20(13)18)4-3-9-21-16/h3-10,12,21-22,24H,11H2,1-2H3"	COC1=C(C=CC(=C1)NS(=O)(=O)C)NCC2=C3C4=CC=CNC4=CC=C3N=C2	XNYXMCWREARWCR-UHFFFAOYSA-N
DG58902	"N-[3-methoxy-4-[(7-methyl-6H-pyrrolo[3,2-f]quinolin-1-yl)methylamino]phenyl]methanesulfonamide"	398517	NSC708428; CHEMBL1973698; NSC-708428; NCI60_038397	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708428	.	.	.	.	410.5	C21H22N4O3S	100	980	2.5	29	3	7	6	"InChI=1S/C21H22N4O3S/c1-13-4-6-16-17(24-13)8-9-19-21(16)14(12-23-19)11-22-18-7-5-15(10-20(18)28-2)25-29(3,26)27/h4-10,12,22,24-25H,11H2,1-3H3"	CC1=CC=C2C(=CC=C3C2=C(C=N3)CNC4=C(C=C(C=C4)NS(=O)(=O)C)OC)N1	MPAUJBBBVBOTLS-UHFFFAOYSA-N
DG58903	"1,5-Ditert-butyl-2,3-dihydroxy-4-sulfosulfanylbenzene"	398518	NSC708429; CHEMBL1969771; NSC-708429; NCI60_038398	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708429	.	.	.	.	334.5	C14H22O5S2	129	455	3.7	21	3	6	4	"InChI=1S/C14H22O5S2/c1-13(2,3)8-7-9(14(4,5)6)12(11(16)10(8)15)20-21(17,18)19/h7,15-16H,1-6H3,(H,17,18,19)"	CC(C)(C)C1=CC(=C(C(=C1O)O)SS(=O)(=O)O)C(C)(C)C	UJTHISUTLHLMDB-UHFFFAOYSA-N
DG58904	"5,7-Di-t-butyl-8-hydroxy-1,4-benzoxathiin-2-one"	398520	"NSC708431; CHEMBL1976757; NSC-708431; NCI60_038400; 5,7-di-t-butyl-8-hydroxy-1,4-benzoxathiin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708431	.	.	.	.	294.4	C16H22O3S	71.8	380	5	20	1	4	2	"InChI=1S/C16H22O3S/c1-15(2,3)9-7-10(16(4,5)6)14-13(12(9)18)19-11(17)8-20-14/h7,18H,8H2,1-6H3"	CC(C)(C)C1=CC(=C2C(=C1O)OC(=O)CS2)C(C)(C)C	YQDDSWHINDJAQC-UHFFFAOYSA-N
DG58905	"2-(4,6-Ditert-butyl-2,3-dihydroxyphenyl)sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol"	398522	NSC708433; CHEMBL1994288; NSC-708433; NCI60_038402	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708433	.	.	.	.	416.5	C20H32O7S	156	518	2.9	28	6	8	5	"InChI=1S/C20H32O7S/c1-19(2,3)9-7-10(20(4,5)6)17(15(25)12(9)22)28-18-16(26)14(24)13(23)11(8-21)27-18/h7,11,13-14,16,18,21-26H,8H2,1-6H3"	CC(C)(C)C1=CC(=C(C(=C1O)O)SC2C(C(C(C(O2)CO)O)O)O)C(C)(C)C	FONYWEYOJOAYCY-UHFFFAOYSA-N
DG58906	3-Bromoacetamido-benzoylurea	398525	NSC708440; 3-Bromoacetamido-benzoylurea; 3-bromoacetylamino benzoylurea; 3-(Bromoacetylamino)benzoylurea; CHEMBL480645; SCHEMBL4198730; NSC-708440; NCI60_038405	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708440	.	.	.	.	300.11	C10H10BrN3O3	101	322	0.9	17	3	3	3	"InChI=1S/C10H10BrN3O3/c11-5-8(15)13-7-3-1-2-6(4-7)9(16)14-10(12)17/h1-4H,5H2,(H,13,15)(H3,12,14,16,17)"	C1=CC(=CC(=C1)NC(=O)CBr)C(=O)NC(=O)N	ROTXPDBINYTRPW-UHFFFAOYSA-N
DG58907	"Benzamide, N-(aminocarbonyl)-3-[(iodoacetyl)amino]-"	398526	"NSC708441; 3-iodoacetamido benzoylurea; 3-Iodoacetamido-benzoylurea; Benzamide, N-(aminocarbonyl)-3-[(iodoacetyl)amino]-; CHEMBL497329; SCHEMBL5357832; DTXSID70327973; NSC-708441; 218935-77-4; NCI60_038406"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708441	.	.	.	.	347.11	C10H10IN3O3	101	322	0.8	17	3	3	3	"InChI=1S/C10H10IN3O3/c11-5-8(15)13-7-3-1-2-6(4-7)9(16)14-10(12)17/h1-4H,5H2,(H,13,15)(H3,12,14,16,17)"	C1=CC(=CC(=C1)NC(=O)CI)C(=O)NC(=O)N	MEDDJABHDBMTKW-UHFFFAOYSA-N
DG58908	4-Bromoacetamido-benzoylurea	398527	"NSC708442; 4-Bromoacetamido-benzoylurea; SCHEMBL7189672; CHEMBL1984901; Urea,[4-(bromoacetamido)benzoyl]-; NSC-708442; NCI60_038407; Urea,[[4-(bromoacetylamino)phenyl]carbonyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708442	.	.	.	.	300.11	C10H10BrN3O3	101	314	0.9	17	3	3	3	"InChI=1S/C10H10BrN3O3/c11-5-8(15)13-7-3-1-6(2-4-7)9(16)14-10(12)17/h1-4H,5H2,(H,13,15)(H3,12,14,16,17)"	C1=CC(=CC=C1C(=O)NC(=O)N)NC(=O)CBr	XDUGUDZPYJGHIT-UHFFFAOYSA-N
DG58909	Ethyl 3-[(chloroacetyl)amino]benzoate	398528	"58915-19-8; ethyl 3-[(chloroacetyl)amino]benzoate; ethyl 3-(2-chloroacetamido)benzoate; ethyl 3-[(2-chloroacetyl)amino]benzoate; 3-(2-Chloro-acetylamino)-benzoic acid ethyl ester; MFCD00711338; benzoic acid, 3-[(2-chloroacetyl)amino]-, ethyl ester; 3-Chloroacetamido-benzoic acid ethyl ester; ASISCHEM A63068; SCHEMBL6408672; CHEMBL1970716; ALBB-023886; ZINC1442070; 6242AE; Ethyl3-[(chloroacetyl)amino]benzoate; NSC708443; STK734586; AKOS000295663; MCULE-6421984037; NSC-708443; LS-07616; NCI60_038408; D87453; Benzoic acid, 3-[(chloroacetyl)amino]-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708443	.	.	.	.	241.67	C11H12ClNO3	55.4	258	2.4	16	1	3	5	"InChI=1S/C11H12ClNO3/c1-2-16-11(15)8-4-3-5-9(6-8)13-10(14)7-12/h3-6H,2,7H2,1H3,(H,13,14)"	CCOC(=O)C1=CC(=CC=C1)NC(=O)CCl	GWRKWJKNWBWCPD-UHFFFAOYSA-N
DG58910	Ethyl 3-[(2-bromoacetyl)amino]benzoate	398529	ethyl 3-[(2-bromoacetyl)amino]benzoate; 3-Bromoacetamido-benzoic acid ethyl ester; 209345-05-1; SCHEMBL6689527; CHEMBL1978105; DTXSID30327974; HSCI1_000003; NSC708444; AKOS012991066; NSC-708444; NCI60_038409	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708444	.	.	.	.	286.12	C11H12BrNO3	55.4	258	2.6	16	1	3	5	"InChI=1S/C11H12BrNO3/c1-2-16-11(15)8-4-3-5-9(6-8)13-10(14)7-12/h3-6H,2,7H2,1H3,(H,13,14)"	CCOC(=O)C1=CC(=CC=C1)NC(=O)CBr	RHJZEEATPWQQPX-UHFFFAOYSA-N
DG58911	3-Iodoacetamido-benzoic acid ethyl ester	398530	3iaaB; 3-Iodoacetamido-benzoic acid ethyl ester; SCHEMBL6407271; CHEMBL1985657; NSC708445; NSC-708445; NCI60_038410	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708445	.	.	.	.	333.12	C11H12INO3	55.4	258	2.5	16	1	3	5	"InChI=1S/C11H12INO3/c1-2-16-11(15)8-4-3-5-9(6-8)13-10(14)7-12/h3-6H,2,7H2,1H3,(H,13,14)"	CCOC(=O)C1=CC(=CC=C1)NC(=O)CI	QTBWLWRCDMPJAD-UHFFFAOYSA-N
DG58912	NSC708446	398531	"[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate; NSC708446; CHEMBL1973119; NSC-708446; NCI60_038411"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708446	.	.	.	.	551.4	C18H23FN5O12P	243	1100	-4.9	37	6	13	8	"InChI=1S/C18H23FN5O12P/c19-7-4-24(18(30)22-15(7)28)12-3-8(25)9(35-12)5-33-37(31,32)34-6-10-13(26)14(27)16(36-10)23-2-1-11(20)21-17(23)29/h1-2,4,8-10,12-14,16,25-27H,3,5-6H2,(H,31,32)(H2,20,21,29)(H,22,28,30)"	C1C(C(OC1N2C=C(C(=O)NC2=O)F)COP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O)O	YPAIZYVYJUAHGL-UHFFFAOYSA-N
DG58913	NSC708447	398532	"[2-[[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate; NSC708447; CHEMBL2003641; NSC-708447; NCI60_038412"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708447	.	.	.	.	1109	C45H71FN8O19P2	373	2230	1.1	75	9	20	32	"InChI=1S/C45H71FN8O19P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-48-34-19-22-53(44(61)50-34)42-39(58)37(56)32(72-42)27-69-75(65,66)73-29-23-35(54-24-28(46)40(59)51-45(54)62)70-30(29)25-67-74(63,64)68-26-31-36(55)38(57)41(71-31)52-21-18-33(47)49-43(52)60/h18-19,21-22,24,29-32,35-39,41-42,55-58H,2-17,20,23,25-27H2,1H3,(H,63,64)(H,65,66)(H2,47,49,60)(H,48,50,61)(H,51,59,62)"	CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OCC4C(C(C(O4)N5C=CC(=NC5=O)N)O)O)N6C=C(C(=O)NC6=O)F)O)O	CDDPETFTMOUCSR-UHFFFAOYSA-N
DG58914	"3a,5,6,6a-Tetrahydro-3beta,3aalpha,6alpha-trihydroxy-3-(1-ethoxy-1H-indole-3-ylmethyl)furo[3,2-b]furan-2(3H)-one"	398552	"NSC708488; CHEMBL1965353; NSC-708488; NCI60_038420; 3a,5,6,6a-Tetrahydro-3beta,3aalpha,6alpha-trihydroxy-3-(1-ethoxy-1H-indole-3-ylmethyl)furo[3,2-b]furan-2(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708488	.	.	.	.	349.3	C17H19NO7	110	545	0.3	25	3	7	4	"InChI=1S/C17H19NO7/c1-2-24-18-8-10(11-5-3-4-6-12(11)18)7-16(21)15(20)25-14-13(19)9-23-17(14,16)22/h3-6,8,13-14,19,21-22H,2,7,9H2,1H3/t13-,14 ,16+,17-/m0/s1"	CCON1C=C(C2=CC=CC=C21)C[C@]3(C(=O)OC4[C@@]3(OC[C@@H]4O)O)O	DRGYHSLUSCNXAW-WVKGIRLHSA-N
DG58915	"1H-Indole-3-methanol, 1-methoxy-"	398553	"1H-Indole-3-methanol, 1-methoxy-; 110139-35-0; (1-methoxyindol-3-yl)methanol; 1-Methoxy-1H-indole-3-methanol; NSC708489; n-methoxyindole-3-carbinol; CHEMBL1983507; SCHEMBL20855303; DTXSID90327975; (1-methoxy-1H-indol-3-yl)methanol; (1-Methoxy-1H-indol-3-yl)-methanol; NSC-708489; NCI60_038421"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708489	.	.	.	.	177.2	C10H11NO2	34.4	174	1.5	13	1	2	2	"InChI=1S/C10H11NO2/c1-13-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-6,12H,7H2,1H3"	CON1C=C(C2=CC=CC=C21)CO	AQEZKEWAYCAHAX-UHFFFAOYSA-N
DG58916	1-Methoxyindole-3-carbaldehyde	398554	"1-methoxyindole-3-carbaldehyde; 1-methoxy-1H-indole-3-carbaldehyde; 67282-55-7; 1-Methoxy-1H-indole-3-carboxaldehyde; NSC708490; 1-Methoxy-3-formylindole; SCHEMBL672377; 1-methoxy-3-indolecarbaldehyde; CHEMBL1969780; DTXSID50327976; CHEBI:173473; ZINC1657745; NSC-708490; NCI60_038422; 1-Methoxy-1H-indole-3-carboxaldehyde, 9CI; Q63409863"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708490	.	.	.	.	175.18	C10H9NO2	31.2	195	1.9	13	0	2	2	"InChI=1S/C10H9NO2/c1-13-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H3"	CON1C=C(C2=CC=CC=C21)C=O	NFGIENSPALNOON-UHFFFAOYSA-N
DG58917	"Pancratistatin,1-O-(3-hydroxybutyryl)-"	398555	"NSC708495; CHEMBL1988542; NSC-708495; Pancratistatin,1-O-(3-hydroxybutyryl)-; NCI60_038423; Pancratistatin,1-O-(4-hydroxy-2-oxopentyl)-; [1,5-j]phenanthridin-6(2H)-one, 1,3,4,4a,5,11b-hexahydro-1,2,3,4,7-pentahydroxy- 1-O-(4-hydroxy-2-oxopentyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708495	.	.	.	.	425.4	C19H23NO10	175	676	-1.6	30	6	10	5	"InChI=1S/C19H23NO10/c1-6(21)2-7(22)4-28-18-10-8-3-9-17(30-5-29-9)13(23)11(8)19(27)20-12(10)14(24)15(25)16(18)26/h3,6,10,12,14-16,18,21,23-26H,2,4-5H2,1H3,(H,20,27)/t6 ,10-,12-,14+,15+,16-,18-/m1/s1"	CC(CC(=O)CO[C@@H]1[C@H]2[C@H]([C@@H]([C@@H]([C@H]1O)O)O)NC(=O)C3=C(C4=C(C=C23)OCO4)O)O	CPPFQIHMVZYHBP-LETCULCLSA-N
DG58918	1-O-(3-O-beta-D-glucopyranosylbutyryl)pancratistatin	398556	NSC708496; CHEMBL1973304; NSC-708496; NCI60_038424; 1-O-(3-O-.beta.-D-glucopyranosylbutyryl)pancratistatin	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708496	.	.	.	.	587.5	C25H33NO15	254	956	-3.2	41	9	15	8	"InChI=1S/C25H33NO15/c1-7(40-25-21(35)18(32)15(29)11(4-27)41-25)2-8(28)5-37-23-12-9-3-10-22(39-6-38-10)16(30)13(9)24(36)26-14(12)17(31)19(33)20(23)34/h3,7,11-12,14-15,17-21,23,25,27,29-35H,2,4-6H2,1H3,(H,26,36)/t7 ,11 ,12-,14-,15 ,17+,18 ,19+,20-,21 ,23-,25 /m1/s1"	CC(CC(=O)CO[C@@H]1[C@H]2[C@H]([C@@H]([C@@H]([C@H]1O)O)O)NC(=O)C3=C(C4=C(C=C23)OCO4)O)OC5C(C(C(C(O5)CO)O)O)O	RNZYQZGSIRTMOP-OBHNLAGLSA-N
DG58919	"(1S,13R)-10-[2-(4-aminophenyl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride"	398561	NSC708534; CHEMBL1998757; NSC-708534	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708534	.	.	.	.	372.9	C22H29ClN2O	49.5	461	.	26	3	3	3	"InChI=1S/C22H28N2O.ClH/c1-15-21-14-17-13-19(25)7-8-20(17)22(15,2)10-12-24(21)11-9-16-3-5-18(23)6-4-16;/h3-8,13,15,21,25H,9-12,14,23H2,1-2H3;1H/t15-,21 ,22-;/m0./s1"	C[C@H]1C2CC3=C([C@]1(CCN2CCC4=CC=C(C=C4)N)C)C=CC(=C3)O.Cl	GYGXKLUICVXEBG-QGFFXIQTSA-N
DG58920	"N'-[(3,4-dichlorophenyl)methyl]-N,N'-dimethyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine;hydrobromide"	398577	NSC708546; CHEMBL1991090; NSC-708546	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708546	.	.	.	.	425.2	C17H28BrCl2N3	9.7	310	.	23	1	3	8	"InChI=1S/C17H27Cl2N3.BrH/c1-20(11-12-22-7-3-4-8-22)9-10-21(2)14-15-5-6-16(18)17(19)13-15;/h5-6,13H,3-4,7-12,14H2,1-2H3;1H"	CN(CCN1CCCC1)CCN(C)CC2=CC(=C(C=C2)Cl)Cl.Br	FHYXHSWLITYDFQ-UHFFFAOYSA-N
DG58921	"N'-[2-(3,4-dichlorophenyl)ethyl]-N,N'-dimethyl-N-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine;hydrobromide"	398581	NSC708548; CHEMBL1977528; NSC-708548	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708548	.	.	.	.	467.3	C20H34BrCl2N3	9.7	350	.	26	1	3	11	"InChI=1S/C20H33Cl2N3.BrH/c1-23(12-6-15-25-13-3-4-14-25)10-5-11-24(2)16-9-18-7-8-19(21)20(22)17-18;/h7-8,17H,3-6,9-16H2,1-2H3;1H"	CN(CCCN1CCCC1)CCCN(C)CCC2=CC(=C(C=C2)Cl)Cl.Br	ZIVOBJVOMHAZFV-UHFFFAOYSA-N
DG58922	"N-[2-(3,4-dichlorophenyl)ethyl]-N,N'-dimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine;hydrobromide"	398585	NSC708550; CHEMBL1994216; NSC-708550	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708550	.	.	.	.	439.3	C18H30BrCl2N3	9.7	323	.	24	1	3	9	"InChI=1S/C18H29Cl2N3.BrH/c1-21(10-7-16-5-6-17(19)18(20)15-16)11-12-22(2)13-14-23-8-3-4-9-23;/h5-6,15H,3-4,7-14H2,1-2H3;1H"	CN(CCC1=CC(=C(C=C1)Cl)Cl)CCN(C)CCN2CCCC2.Br	GZOZYVORHNTUAR-UHFFFAOYSA-N
DG58923	"N'-[(3,4-dichlorophenyl)methyl]-N,N'-dimethyl-N-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine;hydrobromide"	398587	NSC708551; CHEMBL1985518; NSC-708551	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708551	.	.	.	.	439.3	C18H30BrCl2N3	9.7	323	.	24	1	3	9	"InChI=1S/C18H29Cl2N3.BrH/c1-21(12-13-23-10-3-4-11-23)8-5-9-22(2)15-16-6-7-17(19)18(20)14-16;/h6-7,14H,3-5,8-13,15H2,1-2H3;1H"	CN(CCCN(C)CC1=CC(=C(C=C1)Cl)Cl)CCN2CCCC2.Br	PGMAICGVXNFMKK-UHFFFAOYSA-N
DG58924	"Benzeneacetamide,4-dichloro-N-methyl-N-[3-[(methyl)[3-(1-pyrrolidinyl)propyl]amino]propyl]-, diethanedioate (dioxalate)"	398603	"NSC708559; CHEMBL2003861; NSC-708559; Benzeneacetamide,4-dichloro-N-methyl-N-[3- [(methyl)[3-(1-pyrrolidinyl)propyl]amino]propyl]-, diethanedioate (dioxalate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708559	.	.	.	.	490.4	C22H33Cl2N3O5	101	489	.	32	2	7	11	"InChI=1S/C20H31Cl2N3O.C2H2O4/c1-23(10-6-14-25-12-3-4-13-25)9-5-11-24(2)20(26)16-17-7-8-18(21)19(22)15-17;3-1(4)2(5)6/h7-8,15H,3-6,9-14,16H2,1-2H3;(H,3,4)(H,5,6)"	CN(CCCN1CCCC1)CCCN(C)C(=O)CC2=CC(=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O	XRCGZXVKXPERLL-UHFFFAOYSA-N
DG58925	"2-(3,4-dichlorophenyl)-N-[3-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propyl]acetamide;oxalic acid"	398605	NSC708560; CHEMBL1968627; NSC-708560	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708560	.	.	.	.	545.5	C25H38Cl2N4O5	113	567	.	36	3	8	11	"InChI=1S/C23H36Cl2N4O.C2H2O4/c24-21-7-6-20(18-22(21)25)19-23(30)26-8-4-11-28-14-16-29(17-15-28)13-5-12-27-9-2-1-3-10-27;3-1(4)2(5)6/h6-7,18H,1-5,8-17,19H2,(H,26,30);(H,3,4)(H,5,6)"	C1CCN(CC1)CCCN2CCN(CC2)CCCNC(=O)CC3=CC(=C(C=C3)Cl)Cl.C(=O)(C(=O)O)O	MUWPBAAUIROHSF-UHFFFAOYSA-N
DG58926	"2-(3,4-dichlorophenyl)-N-methyl-N-[3-[methyl(4-pyrrolidin-1-ylbutyl)amino]propyl]acetamide;oxalic acid"	398608	NSC708562; CHEMBL1980712; NSC-708562	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708562	.	.	.	.	504.4	C23H35Cl2N3O5	101	503	.	33	2	7	12	"InChI=1S/C21H33Cl2N3O.C2H2O4/c1-24(10-3-4-13-26-14-5-6-15-26)11-7-12-25(2)21(27)17-18-8-9-19(22)20(23)16-18;3-1(4)2(5)6/h8-9,16H,3-7,10-15,17H2,1-2H3;(H,3,4)(H,5,6)"	CN(CCCCN1CCCC1)CCCN(C)C(=O)CC2=CC(=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O	HTAJZCJJDRLFCY-UHFFFAOYSA-N
DG58927	"2-(3,4-dichlorophenyl)-N-methyl-N-[4-[methyl(4-pyrrolidin-1-ylbutyl)amino]butyl]acetamide;oxalic acid"	398610	NSC708563; CHEMBL1994098; NSC-708563	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708563	.	.	.	.	518.5	C24H37Cl2N3O5	101	517	.	34	2	7	13	"InChI=1S/C22H35Cl2N3O.C2H2O4/c1-25(12-4-6-14-27-15-7-8-16-27)11-3-5-13-26(2)22(28)18-19-9-10-20(23)21(24)17-19;3-1(4)2(5)6/h9-10,17H,3-8,11-16,18H2,1-2H3;(H,3,4)(H,5,6)"	CN(CCCCN1CCCC1)CCCCN(C)C(=O)CC2=CC(=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O	SMYCHNQRJOGRSY-UHFFFAOYSA-N
DG58928	"2-(3,4-dichlorophenyl)-N-methyl-N-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]acetamide;oxalic acid"	398612	NSC708564; CHEMBL1978068; NSC-708564	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708564	.	.	.	.	519.5	C23H36Cl2N4O5	105	533	.	34	2	8	12	"InChI=1S/C21H34Cl2N4O.C2H2O4/c1-24(10-11-25(2)13-15-27-8-4-5-9-27)12-14-26(3)21(28)17-18-6-7-19(22)20(23)16-18;3-1(4)2(5)6/h6-7,16H,4-5,8-15,17H2,1-3H3;(H,3,4)(H,5,6)"	CN(CCN1CCCC1)CCN(C)CCN(C)C(=O)CC2=CC(=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O	LCBJXGHDBHAQCR-UHFFFAOYSA-N
DG58929	"2-[(1,3-Dimethyl-2,4-dioxopyrimidin-5-yl)methylidene]propanedinitrile"	398627	NSC708594; CHEMBL1987858; NSC-708594; NCI60_038444	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708594	.	.	.	.	216.2	C10H8N4O2	88.2	493	-0.5	16	0	4	1	"InChI=1S/C10H8N4O2/c1-13-6-8(3-7(4-11)5-12)9(15)14(2)10(13)16/h3,6H,1-2H3"	CN1C=C(C(=O)N(C1=O)C)C=C(C#N)C#N	OOTNCYPQOQHKSN-UHFFFAOYSA-N
DG58930	"2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylidene]propanedinitrile"	398628	NSC708595; CHEMBL1978020; NSC-708595; NCI60_038445	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708595	.	.	.	.	188.14	C8H4N4O2	106	436	-0.9	14	2	4	1	"InChI=1S/C8H4N4O2/c9-2-5(3-10)1-6-4-11-8(14)12-7(6)13/h1,4H,(H2,11,12,13,14)"	C1=C(C(=O)NC(=O)N1)C=C(C#N)C#N	KETXIFCFANKESU-UHFFFAOYSA-N
DG58931	"2-Methyl-3-phenyl-5-(4-chlorophenyl)-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile"	398631	"NSC708781; CHEMBL1976693; NSC-708781; NCI60_038449; 2-Methyl-3-phenyl-5-(4-chlorophenyl)-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708781	.	.	.	.	361.8	C19H12ClN5O	73.8	617	5	26	0	4	2	"InChI=1S/C19H12ClN5O/c1-12-16(11-21)18-22-23-25(15-9-7-14(20)8-10-15)19(26)24(18)17(12)13-5-3-2-4-6-13/h2-10H,1H3"	CC1=C(N2C(=C1C#N)N=NN(C2=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4	LJNNEPUVGQASMG-UHFFFAOYSA-N
DG58932	"2-Methyl-3-phenyl-5-(3-chlorophenyl)-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile"	398632	"NSC708782; CHEMBL1968834; NSC-708782; NCI60_038450; 2-Methyl-3-phenyl-5-(3-chlorophenyl)-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708782	.	.	.	.	361.8	C19H12ClN5O	73.8	625	5	26	0	4	2	"InChI=1S/C19H12ClN5O/c1-12-16(11-21)18-22-23-25(15-9-5-8-14(20)10-15)19(26)24(18)17(12)13-6-3-2-4-7-13/h2-10H,1H3"	CC1=C(N2C(=C1C#N)N=NN(C2=O)C3=CC(=CC=C3)Cl)C4=CC=CC=C4	PPRHJKUHOBTVLJ-UHFFFAOYSA-N
DG58933	"2-Phenyl-3-methyl-5-(4-chlorophenyl)-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile"	398635	"NSC708785; CHEMBL1989319; NSC-708785; NCI60_038453; 2-Phenyl-3-methyl-5-(4-chlorophenyl)-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708785	.	.	.	.	361.8	C19H12ClN5O	73.8	617	5	26	0	4	2	"InChI=1S/C19H12ClN5O/c1-12-17(13-5-3-2-4-6-13)16(11-21)18-22-23-25(19(26)24(12)18)15-9-7-14(20)8-10-15/h2-10H,1H3"	CC1=C(C(=C2N1C(=O)N(N=N2)C3=CC=C(C=C3)Cl)C#N)C4=CC=CC=C4	VPJSYPPDCZFZRB-UHFFFAOYSA-N
DG58934	"6-Methyl-3-(4-nitrophenyl)-4-oxo-7-phenylpyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	398637	NSC708787; CHEMBL1983943; NSC-708787; NCI60_038455	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708787	.	.	.	.	372.3	C19H12N6O3	120	698	4.2	28	0	6	2	"InChI=1S/C19H12N6O3/c1-12-17(13-5-3-2-4-6-13)16(11-20)18-21-22-24(19(26)23(12)18)14-7-9-15(10-8-14)25(27)28/h2-10H,1H3"	CC1=C(C(=C2N1C(=O)N(N=N2)C3=CC=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CC=C4	JGYPJPHLVYPPRA-UHFFFAOYSA-N
DG58935	"3-Cyclohexyl-6-methyl-4-oxo-7-phenylpyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	398638	NSC708788; CHEMBL1972000; NSC-708788; NCI60_038456	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708788	.	.	.	.	333.4	C19H19N5O	73.8	584	4.6	25	0	4	2	"InChI=1S/C19H19N5O/c1-13-17(14-8-4-2-5-9-14)16(12-20)18-21-22-24(19(25)23(13)18)15-10-6-3-7-11-15/h2,4-5,8-9,15H,3,6-7,10-11H2,1H3"	CC1=C(C(=C2N1C(=O)N(N=N2)C3CCCCC3)C#N)C4=CC=CC=C4	QJWRIJBKIIIXEG-UHFFFAOYSA-N
DG58936	"3-(4-Methoxyphenyl)-6-methyl-4-oxo-7-phenylpyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	398639	NSC708789; CHEMBL1979567; NSC-708789; NCI60_038457	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708789	.	.	.	.	357.4	C20H15N5O2	83	630	4.3	27	0	5	3	"InChI=1S/C20H15N5O2/c1-13-18(14-6-4-3-5-7-14)17(12-21)19-22-23-25(20(26)24(13)19)15-8-10-16(27-2)11-9-15/h3-11H,1-2H3"	CC1=C(C(=C2N1C(=O)N(N=N2)C3=CC=C(C=C3)OC)C#N)C4=CC=CC=C4	YMBKRAJANTUNHC-UHFFFAOYSA-N
DG58937	Bulbophyllanthrone	398641	Bulbophyllanthrone; NSC708791; CHEMBL2003515; NSC-708791; NCI60_038459	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708791	.	.	.	.	314.29	C17H14O6	82.1	478	2.2	23	1	6	3	"InChI=1S/C17H14O6/c1-21-8-4-5-9-10(6-8)14(19)15(20)11-7-12(18)16(22-2)17(23-3)13(9)11/h4-7,18H,1-3H3"	COC1=CC2=C(C=C1)C3=C(C(=C(C=C3C(=O)C2=O)O)OC)OC	SBNXJQQXIIRHIX-UHFFFAOYSA-N
DG58938	"1,4,7,10-Tetraazabicyclo[5.5.2]tetradecane"	398645	"NSC708804; 1,4,7,10-tetraazabicyclo[5.5.2]tetradecane; SCHEMBL3968028; CHEMBL1971139; NSC-708804; NCI60_038461; 1,7-Ethano-1,4,7,10-tetraazacyclododecane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708804	.	.	.	.	198.31	C10H22N4	30.5	132	-1	14	2	4	0	"InChI=1S/C10H22N4/c1-5-13-7-3-12-4-8-14(10-9-13)6-2-11-1/h11-12H,1-10H2"	C1CN2CCNCCN(CCN1)CC2	SXVIKQINVVZUBE-UHFFFAOYSA-N
DG58939	"1,4,7,10-Tetraazabicyclo[5.5.2]tetradecane, 4,10-bis(phenylmethyl)-"	398647	"NSC708806; CHEMBL1996408; DTXSID10327977; 1,4,7,10-Tetraazabicyclo[5.5.2]tetradecane, 4,10-bis(phenylmethyl)-; NSC-708806; 177937-62-1; NCI60_038463; 4,10-Dibenzyl-1,7-ethano-1,4,7,10-tetraazacyclododecane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708806	.	.	.	.	378.6	C24H34N4	13	374	2.9	28	0	4	4	"InChI=1S/C24H34N4/c1-3-7-23(8-4-1)21-27-17-13-25-11-12-26(14-18-27)16-20-28(19-15-25)22-24-9-5-2-6-10-24/h1-10H,11-22H2"	C1CN2CCN(CCN1CCN(CC2)CC3=CC=CC=C3)CC4=CC=CC=C4	UCEDWWORPBBYIP-UHFFFAOYSA-N
DG58940	"1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane"	398648	"1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane; 130701-19-8; 1,4,8,11-tetrazabicyclo[6.6.2]hexadecane; Cross-bridged Cyclam; NSC708807; SCHEMBL336215; CHEMBL142190; SCHEMBL13223138; DTXSID70327978; MFCD27943233; ZINC19365736; AKOS028108664; NSC-708807; NCI60_038464; 1,4,8,11-Tetraaza-bicyclo[6.6.2]hexadecane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708807	.	.	.	.	226.36	C12H26N4	30.5	166	-0.3	16	2	4	0	"InChI=1S/C12H26N4/c1-3-13-5-10-16-8-2-4-14-6-9-15(7-1)11-12-16/h13-14H,1-12H2"	C1CNCCN2CCCNCCN(C1)CC2	OBBKVQRWBGOVCF-UHFFFAOYSA-N
DG58941	"1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane, 4,11-bis(phenylmethyl)-"	398649	"NSC708808; SCHEMBL825358; CHEMBL1988064; DTXSID30327979; 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane, 4,11-bis(phenylmethyl)-; NSC-708808; 177937-60-9; NCI60_038465; 4,11-Dibenzyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708808	.	.	.	.	406.6	C26H38N4	13	416	3.6	30	0	4	4	"InChI=1S/C26H38N4/c1-3-9-25(10-4-1)23-29-15-7-13-28-18-17-27(19-21-29)14-8-16-30(22-20-28)24-26-11-5-2-6-12-26/h1-6,9-12H,7-8,13-24H2"	C1CN2CCN(CCCN(CC2)CC3=CC=CC=C3)CCN(C1)CC4=CC=CC=C4	FGVBSRHTSFUPNH-UHFFFAOYSA-N
DG58942	"4,10-Ethano-1,7-dimethyl-1,4,7,10-tetraazacyclotridecane"	398650	"NSC708809; CHEMBL1987225; NSC-708809; NCI60_038466; 4,10-Ethano-1,7-dimethyl-1,4,7,10-tetraazacyclotridecane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708809	.	.	.	.	240.39	C13H28N4	13	222	0.3	17	0	4	0	"InChI=1S/C13H28N4/c1-14-4-3-5-16-9-7-15(2)8-11-17(10-6-14)13-12-16/h3-13H2,1-2H3"	CN1CCCN2CCN(CCN(CC1)CC2)C	IBPQXENBZARETM-UHFFFAOYSA-N
DG58943	(4-Aminonaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone	398651	NSC708810; CHEMBL1994410; NSC-708810; NCI60_038467	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708810	.	.	.	.	399.5	C25H25N3O2	60.5	593	3.5	30	1	4	5	"InChI=1S/C25H25N3O2/c26-23-10-9-21(18-5-1-2-6-19(18)23)25(29)22-17-28(24-8-4-3-7-20(22)24)12-11-27-13-15-30-16-14-27/h1-10,17H,11-16,26H2"	C1COCCN1CCN2C=C(C3=CC=CC=C32)C(=O)C4=CC=C(C5=CC=CC=C54)N	IPGFNABSBIRAJE-UHFFFAOYSA-N
DG58944	"benzyl N-[2-[7-chloro-5-(4-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl]carbamate"	398656	NSC708814; CHEMBL2004524; NSC-708814; NCI60_038469	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708814	.	.	.	.	482.4	C25H21Cl2N3O3	71	705	4.7	33	1	4	7	"InChI=1S/C25H21Cl2N3O3/c26-19-8-6-18(7-9-19)24-21-14-20(27)10-11-22(21)30(23(31)15-29-24)13-12-28-25(32)33-16-17-4-2-1-3-5-17/h1-11,14H,12-13,15-16H2,(H,28,32)"	C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=C(C=C3)Cl)CCNC(=O)OCC4=CC=CC=C4	QOZPGTGAOMQWBM-UHFFFAOYSA-N
DG58945	"1-(2-aminoethyl)-7-chloro-5-(4-chlorophenyl)-3H-1,4-benzodiazepin-2-one;hydrochloride"	398657	NSC708815; CHEMBL1966910; NSC-708815	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708815	.	.	.	.	384.7	C17H16Cl3N3O	58.7	463	.	24	2	3	3	"InChI=1S/C17H15Cl2N3O.ClH/c18-12-3-1-11(2-4-12)17-14-9-13(19)5-6-15(14)22(8-7-20)16(23)10-21-17;/h1-6,9H,7-8,10,20H2;1H"	C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=C(C=C3)Cl)CCN.Cl	KRQBHQYPWCACLJ-UHFFFAOYSA-N
DG58946	"[4-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]phenyl]-piperidin-1-ylmethanone;oxalic acid"	398674	NSC708824; CHEMBL1972556; NSC-708824	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708824	.	.	.	.	551.7	C31H41N3O6	111	727	.	40	2	8	8	"InChI=1S/C29H39N3O2.C2H2O4/c1-5-16-31-20-23(3)32(21-22(31)2)28(26-10-9-11-27(19-26)34-4)24-12-14-25(15-13-24)29(33)30-17-7-6-8-18-30;3-1(4)2(5)6/h5,9-15,19,22-23,28H,1,6-8,16-18,20-21H2,2-4H3;(H,3,4)(H,5,6)/t22-,23+,28+;/m1./s1"	C[C@H]1CN([C@@H](CN1[C@@H](C2=CC=C(C=C2)C(=O)N3CCCCC3)C4=CC(=CC=C4)OC)C)CC=C.C(=O)(C(=O)O)O	VIHREGITVXSMDG-COPRQCRLSA-N
DG58947	"5-(2-fluorophenyl)-7-isothiocyanato-1-methyl-3H-1,4-benzodiazepin-2-one"	398681	NSC708830; CHEMBL1986414; NSC-708830; NCI60_038473	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708830	.	.	.	.	325.4	C17H12FN3OS	77.1	546	3.7	23	0	5	2	"InChI=1S/C17H12FN3OS/c1-21-15-7-6-11(20-10-23)8-13(15)17(19-9-16(21)22)12-4-2-3-5-14(12)18/h2-8H,9H2,1H3"	CN1C(=O)CN=C(C2=C1C=CC(=C2)N=C=S)C3=CC=CC=C3F	PQIJBZIUBYWOTM-UHFFFAOYSA-N
DG58948	NSC708837	398688	"(14R)-11,15-dimethoxy-5-methyl-13-oxa-5,18,19-triazaheptacyclo[13.6.2.12,8.01,6.02,14.016,21.012,24]tetracosa-8(24),9,11,22-tetraene-17,20-dione; NSC708837; CHEMBL1975603; NSC-708837; NCI60_038474"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708837	.	.	.	.	423.5	C23H25N3O5	89.1	910	0.5	31	2	6	2	"InChI=1S/C23H25N3O5/c1-26-9-8-22-14-11-4-5-12(29-2)17(14)31-20(22)23(30-3)7-6-21(22,13(26)10-11)15-16(23)19(28)25-24-18(15)27/h4-7,13,15-16,20H,8-10H2,1-3H3,(H,24,27)(H,25,28)/t13 ,15 ,16 ,20-,21 ,22 ,23 /m1/s1"	CN1CCC23[C@@H]4C5(C=CC2(C1CC6=C3C(=C(C=C6)OC)O4)C7C5C(=O)NNC7=O)OC	AFJWFELZLJUDQA-JHAOIRJCSA-N
DG58949	"4,6-Dibromo-1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-amine;hydrochloride"	398700	NSC708846; CHEMBL1974218; NSC-708846	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708846	.	.	.	.	560.8	C22H29Br2ClN4O	56.3	487	.	30	2	4	9	"InChI=1S/C22H28Br2N4O.ClH/c1-4-27(5-2)11-12-28-18-14-17(23)21(25)20(24)22(18)26-19(28)13-15-7-9-16(10-8-15)29-6-3;/h7-10,14H,4-6,11-13,25H2,1-3H3;1H"	CCN(CC)CCN1C2=CC(=C(C(=C2N=C1CC3=CC=C(C=C3)OCC)Br)N)Br.Cl	URYAWJGDZHVCQB-UHFFFAOYSA-N
DG58950	[4-(1-Benzothiophen-2-yl)-4-piperidin-1-ylcyclohexyl]oxy-trimethylsilane	398710	NSC708854; CHEMBL3391710; NSC-708854; NCI60_038481	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708854	.	.	.	.	387.7	C22H33NOSSi	40.7	465	.	26	0	3	4	"InChI=1S/C22H33NOSSi/c1-26(2,3)24-19-11-13-22(14-12-19,23-15-7-4-8-16-23)21-17-18-9-5-6-10-20(18)25-21/h5-6,9-10,17,19H,4,7-8,11-16H2,1-3H3"	C[Si](C)(C)OC1CCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCCC4	JOBAGXWSTPJQSE-UHFFFAOYSA-N
DG58951	N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-nitrofuran-2-carboxamide	398713	NSC708857; CHEMBL2000257; NSC-708857; NCI60_038482	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708857	.	.	.	.	402.4	C20H26N4O5	104	536	3.1	29	1	7	8	"InChI=1S/C20H26N4O5/c1-28-17-7-3-2-6-16(17)23-14-12-22(13-15-23)11-5-4-10-21-20(25)18-8-9-19(29-18)24(26)27/h2-3,6-9H,4-5,10-15H2,1H3,(H,21,25)"	COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC=C(O3)[N+](=O)[O-]	YFSRBYPZGUIXRO-UHFFFAOYSA-N
DG58952	1-[1-(5-Bromothiophen-2-yl)cyclohexyl]piperidine;hydrochloride	398714	NSC708858; CHEMBL1991128; NSC-708858	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708858	.	.	.	.	364.8	C15H23BrClNS	31.5	272	.	19	1	2	2	"InChI=1S/C15H22BrNS.ClH/c16-14-8-7-13(18-14)15(9-3-1-4-10-15)17-11-5-2-6-12-17;/h7-8H,1-6,9-12H2;1H"	C1CCC(CC1)(C2=CC=C(S2)Br)N3CCCCC3.Cl	SCDNIQNQKYYBMY-UHFFFAOYSA-N
DG58953	Dehydroglaucine	398788	"Dehydroglaucine; 22212-26-6; TNP00164; 4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene; Didehydroglaucine; 4H-Dibenzo(de,g)quinoline, 5,6-dihydro-1,2,9,10-tetramethoxy-6-methyl-; TimTec1_003612; CHEMBL1412163; SCHEMBL14029309; DTXSID30176762; HMS1544E04; ZINC1092562; NSC708924; 5,6-Dihydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo(de,g)quinoline; AKOS024281802; MCULE-9517315258; NSC-708924; NCGC00017261-01; NCGC00017261-02; NCGC00142406-01; NCI60_038488; Q63399482"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708924	.	.	.	.	353.4	C21H23NO4	40.2	489	4.5	26	0	5	4	"InChI=1S/C21H23NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h8-11H,6-7H2,1-5H3"	CN1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC)OC)OC)OC	RZUHGAKUNBFQJS-UHFFFAOYSA-N
DG58954	CID 398793	398793	Neferine; 2292-16-2; Neferin; 12'-O-Methylliensinine; CHEMBL1986816; NSC708929; NSC-708929; NCI60_038489	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708929	.	.	.	.	624.8	C38H44N2O6	72.9	933	6.7	46	1	8	10	"InChI=1S/C38H44N2O6/c1-39-15-14-27-21-36(44-5)38(23-30(27)31(39)17-24-7-10-28(42-3)11-8-24)46-34-19-25(9-12-33(34)41)18-32-29-22-37(45-6)35(43-4)20-26(29)13-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3"	CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC	MIBATSHDJRIUJK-UHFFFAOYSA-N
DG58955	"24-Methylenecholesta-5,5alpha,6beta,19-tetraol"	398795	"NSC708931; CHEMBL1990185; NSC-708931; NCI60_038490; 24-Methylenecholesta-5,5.alpha.,6.beta.,19-tetraol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708931	.	.	.	.	432.7	C28H48O3	60.7	659	6.9	31	3	3	6	"InChI=1S/C28H48O3/c1-17(2)18(3)6-7-19(4)22-8-9-23-21-15-26(31)25-14-20(30)10-13-28(25,16-29)24(21)11-12-27(22,23)5/h17,19-26,29-31H,3,6-16H2,1-2,4-5H3/t19-,20+,21+,22-,23+,24+,25-,26-,27-,28+/m1/s1"	C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)CO)O)C	XAJQLFZWCOBXMJ-VJENCBHGSA-N
DG58956	NSC708935	398799	"(1S,2S,4S,5R,10R,11S,14R,15R,18S)-5-hydroxy-10,14-dimethyl-15-[(1S)-1-(4,5,6-trihydroxy-4,5-dimethyloxan-2-yl)ethyl]-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one; TC6; CHEMBL2002084; NSC708935; NSC-708935; NCI60_038492"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708935	.	.	.	.	490.6	C28H42O7	120	967	2.5	35	4	7	2	"InChI=1S/C28H42O7/c1-14(18-13-25(3,31)27(5,32)23(30)34-18)15-8-9-16-20-17(10-12-24(15,16)2)26(4)19(29)7-6-11-28(26,33)22-21(20)35-22/h6-7,14-18,20-23,30-33H,8-13H2,1-5H3/t14-,15+,16-,17-,18 ,20-,21-,22-,23 ,24+,25 ,26-,27 ,28-/m0/s1"	C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H]4[C@H](O4)[C@@]5([C@@]3(C(=O)C=CC5)C)O)C)C6CC(C(C(O6)O)(C)O)(C)O	NQCJXUPNOLFUAM-JFCRYMRPSA-N
DG58957	NSC708936	398800	"2-[[(1R,5R,7S,10R,12R,15R,16R,17S,18R,21R,22R,24S)-21,22-dihydroxy-1,6,6,15,17,20,20-heptamethyl-19,23-dioxaheptacyclo[13.10.0.02,12.05,10.010,12.016,24.018,22]pentacos-2-en-7-yl]oxy]oxane-3,4,5-triol; NSC708936; CHEMBL286485; NSC-708936; NCI60_038493"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708936	.	.	.	.	618.8	C35H54O9	138	1270	2.9	44	5	9	2	"InChI=1S/C35H54O9/c1-17-23-19(43-35(40)26(17)44-30(4,5)28(35)39)14-32(7)21-9-8-20-29(2,3)22(42-27-25(38)24(37)18(36)15-41-27)10-11-33(20)16-34(21,33)13-12-31(23,32)6/h9,17-20,22-28,36-40H,8,10-16H2,1-7H3/t17-,18 ,19-,20-,22-,23-,24 ,25 ,26+,27 ,28+,31+,32-,33+,34-,35-/m0/s1"	C[C@H]1[C@H]2[C@H](C[C@@]3([C@@]2(CC[C@]45C3=CC[C@@H]6[C@]4(C5)CC[C@@H](C6(C)C)OC7C(C(C(CO7)O)O)O)C)C)O[C@]8([C@@H]1OC([C@H]8O)(C)C)O	SUWXCVINJBVOAI-GAIXJHAKSA-N
DG58958	"N-(6,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethyl)formamide;hydrobromide"	398842	NSC708980; CHEMBL1990321; NSC-708980	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708980	.	.	.	.	422.2	C17H23BrCl2N2O	23.6	376	.	23	1	2	4	"InChI=1S/C17H22Cl2N2O.BrH/c18-16-10-13-3-4-15(9-14(13)11-17(16)19)21(12-22)8-7-20-5-1-2-6-20;/h10-12,15H,1-9H2;1H"	C1CCN(C1)CCN(C=O)C2CCC3=CC(=C(C=C3C2)Cl)Cl.Br	PXBZKORSPLEQMJ-UHFFFAOYSA-N
DG58959	"ethyl N-[2-[6-(2,3-dimethoxyphenyl)-5-oxocyclohex-3-en-1-yl]ethyl]-N-methylcarbamate"	398844	NSC708981; CHEMBL1993715; NSC-708981; NCI60_038507	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708981	.	.	.	.	361.4	C20H27NO5	65.099	506	3.1	26	0	5	8	"InChI=1S/C20H27NO5/c1-5-26-20(23)21(2)13-12-14-8-6-10-16(22)18(14)15-9-7-11-17(24-3)19(15)25-4/h6-7,9-11,14,18H,5,8,12-13H2,1-4H3"	CCOC(=O)N(C)CCC1CC=CC(=O)C1C2=C(C(=CC=C2)OC)OC	AJAAQOHUYRMIAX-UHFFFAOYSA-N
DG58960	"(9R)-4-bromo-6-methoxy-13-methyl-8-oxa-13-azatetracyclo[10.3.1.01,9.02,7]hexadeca-2(7),3,5-trien-10-one"	398847	NSC708983; CHEMBL1976298; NSC-708983; NCI60_038508	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708983	.	.	.	.	352.22	C16H18BrNO3	38.8	459	2.6	21	0	4	1	"InChI=1S/C16H18BrNO3/c1-18-4-3-16-8-10(18)7-12(19)15(16)21-14-11(16)5-9(17)6-13(14)20-2/h5-6,10,15H,3-4,7-8H2,1-2H3/t10 ,15-,16 /m0/s1"	CN1CCC23CC1CC(=O)[C@@H]2OC4=C3C=C(C=C4OC)Br	GRTJJLDQBHAIRY-NWWFGRIYSA-N
DG58961	"1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-7-hydroxy-6-methoxy-N-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide"	398849	NSC709001; CHEMBL1984424; NSC-709001; NCI60_038511	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709001	.	.	.	.	628.8	C40H40N2O5	80.3	916	7.6	47	2	5	12	"InChI=1S/C40H40N2O5/c1-45-38-25-33-20-22-42(40(44)41-21-19-29-11-5-2-6-12-29)35(34(33)26-36(38)43)23-32-17-18-37(46-27-30-13-7-3-8-14-30)39(24-32)47-28-31-15-9-4-10-16-31/h2-18,24-26,35,43H,19-23,27-28H2,1H3,(H,41,44)"	COC1=C(C=C2C(N(CCC2=C1)C(=O)NCCC3=CC=CC=C3)CC4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O	AOYNMCPNILHRRY-UHFFFAOYSA-N
DG58962	"2-(3-Pyridin-2-yl-1,2,4-triazaspiro[4.5]dec-3-en-1-yl)-1,3-benzothiazole"	398870	NSC709091; CHEMBL1977262; NSC-709091; NCI60_038520	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709091	.	.	.	.	349.5	C19H19N5S	81.6	518	4.6	25	1	5	2	"InChI=1S/C19H19N5S/c1-5-11-19(12-6-1)22-17(15-9-4-7-13-20-15)23-24(19)18-21-14-8-2-3-10-16(14)25-18/h2-4,7-10,13H,1,5-6,11-12H2,(H,22,23)"	C1CCC2(CC1)N=C(NN2C3=NC4=CC=CC=C4S3)C5=CC=CC=N5	SGBMKKOYUXVLMJ-UHFFFAOYSA-N
DG58963	"2,6-DI-Tert-butyl-4-chromen-2-ylidene-cyclohexa-2,5-dienone"	398888	"NSC709109; CHEMBL1991336; ZINC1657997; 2,6-DI-TERT-BUTYL-4-CHROMEN-2-YLIDENE-CYCLOHEXA-2,5-DIENONE; AKOS024322630; MCULE-1292482515; NSC-709109; NCI60_038533"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709109	.	.	.	.	334.4	C23H26O2	26.3	651	6.2	25	0	2	2	"InChI=1S/C23H26O2/c1-22(2,3)17-13-16(14-18(21(17)24)23(4,5)6)20-12-11-15-9-7-8-10-19(15)25-20/h7-14H,1-6H3"	CC(C)(C)C1=CC(=C2C=CC3=CC=CC=C3O2)C=C(C1=O)C(C)(C)C	JYHOJXQWJVKCCQ-UHFFFAOYSA-N
DG58964	"2,6-Ditert-butyl-4-(1,3-oxazolidin-2-yl)phenol"	398894	NSC709115; CHEMBL1999045; NSC-709115; NCI60_038539	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709115	.	.	.	.	277.4	C17H27NO2	41.5	305	4	20	2	3	3	"InChI=1S/C17H27NO2/c1-16(2,3)12-9-11(15-18-7-8-20-15)10-13(14(12)19)17(4,5)6/h9-10,15,18-19H,7-8H2,1-6H3"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2NCCO2	VTDCILCJGAKXPN-UHFFFAOYSA-N
DG58965	"1,3-Dibromo-6-pyrrol-1-yl-5,6-dihydrocyclopenta[c]thiophen-4-one"	398914	NSC709148; CHEMBL1993859; NSC-709148; NCI60_038551	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709148	.	.	.	.	361.05	C11H7Br2NOS	50.2	308	3.5	16	0	2	1	"InChI=1S/C11H7Br2NOS/c12-10-8-6(14-3-1-2-4-14)5-7(15)9(8)11(13)16-10/h1-4,6H,5H2"	C1C(C2=C(SC(=C2C1=O)Br)Br)N3C=CC=C3	JGLVULMZOHSVQE-UHFFFAOYSA-N
DG58966	"Cyclopenta[c]thiophene-4,5,6-trione"	398918	NSC709152; CHEMBL1985450; SCHEMBL14560919; NSC-709152; NCI60_038555	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709152	.	.	.	.	166.16	C7H2O3S	79.4	234	0.6	11	0	4	0	InChI=1S/C7H2O3S/c8-5-3-1-11-2-4(3)6(9)7(5)10/h1-2H	C1=C2C(=CS1)C(=O)C(=O)C2=O	OWIHAGLFTZHUAW-UHFFFAOYSA-N
DG58967	"(5R,6R)-1,3-dibromo-5,6-dihydroxy-5,6-dihydrocyclopenta[c]thiophen-4-one"	398919	NSC709153; CHEMBL1972105; NSC-709153; NCI60_038556	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709153	.	.	.	.	327.98	C7H4Br2O3S	85.8	250	1.7	13	2	4	0	"InChI=1S/C7H4Br2O3S/c8-6-1-2(7(9)13-6)4(11)5(12)3(1)10/h3,5,10,12H/t3-,5-/m1/s1"	[C@@H]1([C@H](C(=O)C2=C(SC(=C21)Br)Br)O)O	GVOBFCMMTILMQG-NQXXGFSBSA-N
DG58968	"1,3,6-Tribromo-5,6-dihydrocyclopenta[c]thiophen-4-one"	398922	NSC709156; CHEMBL1979485; NSC-709156; NCI60_038557	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709156	.	.	.	.	374.88	C7H3Br3OS	45.3	223	3.7	12	0	2	0	"InChI=1S/C7H3Br3OS/c8-2-1-3(11)5-4(2)6(9)12-7(5)10/h2H,1H2"	C1C(C2=C(SC(=C2C1=O)Br)Br)Br	CZYXJOKMEQOKIB-UHFFFAOYSA-N
DG58969	"(5S,6R)-1,3-dibromo-5,6-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one"	398923	NSC709157; CHEMBL1966504; NSC-709157; NCI60_038558	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709157	.	.	.	.	364.87	C7H2Br2Cl2OS	45.3	253	4.3	13	0	2	0	"InChI=1S/C7H2Br2Cl2OS/c8-6-1-2(7(9)13-6)5(12)4(11)3(1)10/h3-4H/t3-,4-/m1/s1"	[C@@H]1([C@H](C(=O)C2=C(SC(=C21)Br)Br)Cl)Cl	YPLALNOTCKAOQJ-QWWZWVQMSA-N
DG58970	"4-chloro-5-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]-3,4-dihydro-2H-1lambda5-phosphinine 1-oxide"	398925	NSC709159; CHEMBL1968371; NSC-709159; NCI60_038559	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709159	.	.	.	.	366.9	C21H32ClOP	17.1	490	5.2	24	0	1	4	"InChI=1S/C21H32ClOP/c1-13(2)17-10-18(14(3)4)21(19(11-17)15(5)6)24(23)9-8-20(22)16(7)12-24/h10-15,20H,8-9H2,1-7H3"	CC1=CP(=O)(CCC1Cl)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C	YKROHLMVDKALAU-UHFFFAOYSA-N
DG58971	10-Hydroxy-7-trimethylsilylethylcamptothecin	398933	NSC709237; CHEMBL1975653; SCHEMBL13416115; NSC-709237; NCI60_038562; 10-Hydroxy-7-trimethylsilylethylcamptothecin	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709237	.	.	.	.	464.6	C25H28N2O5Si	100	924	.	33	2	6	4	"InChI=1S/C25H28N2O5Si/c1-5-25(31)19-11-21-22-17(12-27(21)23(29)18(19)13-32-24(25)30)15(8-9-33(2,3)4)16-10-14(28)6-7-20(16)26-22/h6-7,10-11,28,31H,5,8-9,12-13H2,1-4H3/t25-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=CC(=C5)O)N=C4C3=C2)CC[Si](C)(C)C)O	FBOHVJOXVDWFTC-VWLOTQADSA-N
DG58972	Jusmicranthin ethyl ether	398934	NSC709246; Jusmicranthin ethyl ether; CHEMBL1980830; NSC-709246; NCI60_038564	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709246	.	.	.	.	392.4	C22H16O7	72.4	641	4.2	29	0	7	3	"InChI=1S/C22H16O7/c1-2-24-22-19-13(21(23)29-22)7-11-4-6-15-20(28-10-26-15)18(11)17(19)12-3-5-14-16(8-12)27-9-25-14/h3-8,22H,2,9-10H2,1H3"	CCOC1C2=C(C=C3C=CC4=C(C3=C2C5=CC6=C(C=C5)OCO6)OCO4)C(=O)O1	JJXCEOLNFSCNNE-UHFFFAOYSA-N
DG58973	Flexinine	398936	"flexinine; 509-88-6; 1,2-Epoxycrinan-3-ol; CHEMBL1997786; DTXSID00965140; NSC709250; NSC-709250; NCI60_038565; 1,2-Epoxycrinan-3-ol (1beta,2beta,3alpha)-; Crinan-3-ol, 1,2-epoxy-, (1beta,2beta,3alpha)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709250	.	.	.	.	287.31	C16H17NO4	54.5	487	0.9	21	1	5	0	"InChI=1S/C16H17NO4/c18-10-5-13-16(15-14(10)21-15)1-2-17(13)6-8-3-11-12(4-9(8)16)20-7-19-11/h3-4,10,13-15,18H,1-2,5-7H2/t10-,13-,14+,15+,16+/m1/s1"	C1CN2CC3=CC4=C(C=C3[C@]15[C@H]2C[C@H]([C@H]6[C@@H]5O6)O)OCO4	WWSZBGJLESQTHB-DMHMKPBJSA-N
DG58974	4-(3-(2-Nitro-1-imidazolyl)-propylamino)-7-chloroquinoline hydrochloride	398939	"4-(3-(2-nitro-1-imidazolyl)-propylamino)-7-chloroquinoline hydrochloride; 4-[3-(2-nitro-1-imidazolyl)-propylamino]-7-chloroquinoline hydrochloride; NSC709257; Quinoline,hydrochloride; NLCQ-1 HCl; SCHEMBL1284999; CHEMBL1922429; NSC-709257; 221292-08-6 (HCl); 7-chloro-N-[3-(2-nitroimidazol-1-yl)propyl]quinolin-4-amine;hydrochloride; 7-chloro-N-(3-(2-nitro-1H-imidazol-1-yl)propyl)quinolin-4-amine hydrochloride; 221292-08-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709257	.	.	.	.	368.2	C15H15Cl2N5O2	88.6	408	.	24	2	5	5	"InChI=1S/C15H14ClN5O2.ClH/c16-11-2-3-12-13(4-6-18-14(12)10-11)17-5-1-8-20-9-7-19-15(20)21(22)23;/h2-4,6-7,9-10H,1,5,8H2,(H,17,18);1H"	C1=CC2=C(C=CN=C2C=C1Cl)NCCCN3C=CN=C3[N+](=O)[O-].Cl	LWTUZIMLIKOKDI-UHFFFAOYSA-N
DG58975	Decipidone	398943	decipidone; NSC709311; CHEMBL2001506; SCHEMBL21379747; NSC-709311; NCI60_038571	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709311	.	.	.	.	620.7	C32H44O12	169	1250	3.2	44	1	12	14	"InChI=1S/C32H44O12/c1-10-11-24(37)43-28-25-26(42-20(7)35)17(4)14-32(25,39)29(38)30(9,44-21(8)36)27-22(16(2)3)12-13-23(41-19(6)34)31(27,28)15-40-18(5)33/h12-13,17,22-23,25-28,39H,2,10-11,14-15H2,1,3-9H3/t17-,22+,23+,25+,26-,27-,28+,30-,31+,32+/m0/s1"	CCCC(=O)O[C@@H]1[C@H]2[C@H]([C@H](C[C@@]2(C(=O)[C@@]([C@H]3[C@]1([C@@H](C=C[C@@H]3C(=C)C)OC(=O)C)COC(=O)C)(C)OC(=O)C)O)C)OC(=O)C	JZYOERCCXIXEQU-NSFXRBBVSA-N
DG58976	"[Cyano-[3-(2-oxo-2-phenylmethoxyethoxy)phenyl]methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate"	398946	NSC709314; CHEMBL1973284; NSC-709314; NCI60_038574	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709314	.	.	.	.	421.5	C25H27NO5	85.6	686	5.6	31	0	6	10	"InChI=1S/C25H27NO5/c1-24(2)22(25(24,3)4)23(28)31-20(14-26)18-11-8-12-19(13-18)29-16-21(27)30-15-17-9-6-5-7-10-17/h5-13,20,22H,15-16H2,1-4H3"	CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OCC(=O)OCC3=CC=CC=C3)C	BURZSXCTXTUFJW-UHFFFAOYSA-N
DG58977	"dimethyl (6R,7R,8R,9R)-7-(3-chlorophenyl)-9-hydroxy-9-methyl-1-thia-4-azaspiro[4.5]decane-6,8-dicarboxylate"	398949	NSC709317; CHEMBL1985012; NSC-709317; NCI60_038575	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709317	.	.	.	.	413.9	C19H24ClNO5S	110	592	2.5	27	2	7	5	"InChI=1S/C19H24ClNO5S/c1-18(24)10-19(21-7-8-27-19)15(17(23)26-3)13(14(18)16(22)25-2)11-5-4-6-12(20)9-11/h4-6,9,13-15,21,24H,7-8,10H2,1-3H3/t13-,14+,15-,18-,19 /m1/s1"	C[C@]1(CC2([C@H]([C@@H]([C@H]1C(=O)OC)C3=CC(=CC=C3)Cl)C(=O)OC)NCCS2)O	KYHPLRLVDSNBCZ-MUJFYMCSSA-N
DG58978	1-Phenyl-4-[2-[2-(4-chlorobenzyl)-1H-benzimidazol-5-yl]ethyl]piperazine	398950	NSC709318; CHEMBL2006420; NSC-709318; NCI60_038576; 1-Phenyl-4-[2-[2-(4-chlorobenzyl)-1H-benzimidazol-5-yl]ethyl]piperazine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709318	.	.	.	.	431	C26H27ClN4	35.2	538	6	31	1	3	6	"InChI=1S/C26H27ClN4/c27-22-9-6-20(7-10-22)19-26-28-24-11-8-21(18-25(24)29-26)12-13-30-14-16-31(17-15-30)23-4-2-1-3-5-23/h1-11,18H,12-17,19H2,(H,28,29)"	C1CN(CCN1CCC2=CC3=C(C=C2)N=C(N3)CC4=CC=C(C=C4)Cl)C5=CC=CC=C5	VPUAQCQMOIAGBY-UHFFFAOYSA-N
DG58979	"dimethyl (1R,2R,3R,4R)-1,4-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]carbazole-2,3-dicarboxylate"	398953	NSC709322; CHEMBL1981559; NSC-709322; NCI60_038580	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709322	.	.	.	.	365.4	C22H23NO4	68.4	593	4.1	27	1	4	4	"InChI=1S/C22H23NO4/c1-11-13-9-10-15-14-7-5-6-8-16(14)23-20(15)17(13)12(2)19(22(25)27-4)18(11)21(24)26-3/h5-12,18-19,23H,1-4H3/t11-,12-,18+,19+/m0/s1"	C[C@@H]1[C@H]([C@@H]([C@H](C2=C1C=CC3=C2NC4=CC=CC=C34)C)C(=O)OC)C(=O)OC	SYKFZNOIYOZPSV-LFSCOCTRSA-N
DG58980	"2'-(Methoxymethyl)-4',7'-dimethoxy-5-(4-methylpiperazino)-2,5'-bi(1H-benzimidazole)"	398956	"NSC709340; CHEMBL1966311; NSC-709340; NCI60_038581; 2'-(Methoxymethyl)-4',7'-dimethoxy-5-(4-methylpiperazino)-2,5'-bi(1H-benzimidazole)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709340	.	.	.	.	436.5	C23H28N6O3	91.5	621	2.3	32	2	7	6	"InChI=1S/C23H28N6O3/c1-28-7-9-29(10-8-28)14-5-6-16-17(11-14)25-23(24-16)15-12-18(31-3)20-21(22(15)32-4)27-19(26-20)13-30-2/h5-6,11-12H,7-10,13H2,1-4H3,(H,24,25)(H,26,27)"	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC(=C5C(=C4OC)NC(=N5)COC)OC	RLUIGVFSEGETHV-UHFFFAOYSA-N
DG58981	"2'-(Ethoxymethyl)-4',7'-dimethoxy-5-(4-methylpiperazino)-2,5'-bi(1H-benzimidazole)"	398957	"NSC709341; CHEMBL1969208; NSC-709341; NCI60_038582; 2'-(Ethoxymethyl)-4',7'-dimethoxy-5-(4-methylpiperazino)-2,5'-bi(1H-benzimidazole)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709341	.	.	.	.	450.5	C24H30N6O3	91.5	635	2.6	33	2	7	7	"InChI=1S/C24H30N6O3/c1-5-33-14-20-27-21-19(31-3)13-16(23(32-4)22(21)28-20)24-25-17-7-6-15(12-18(17)26-24)30-10-8-29(2)9-11-30/h6-7,12-13H,5,8-11,14H2,1-4H3,(H,25,26)(H,27,28)"	CCOCC1=NC2=C(C=C(C(=C2N1)OC)C3=NC4=C(N3)C=C(C=C4)N5CCN(CC5)C)OC	SMFACUVFCSDDLD-UHFFFAOYSA-N
DG58982	NSC709358	398964	"1H-Pyrrole-2-carboxamide,3,5,11a-tetrahydro-7-methoxy-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]butyl]amino]-1H-pyrrol-2-yl]carbonyl]amino]-, (11aS)-; NSC709358; CHEMBL1978487; NSC-709358; NCI60_038588; 1H-Pyrrole-2-carboxamide,3,5,11a-tetrahydro-7-methoxy-5-oxo- 1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]butyl]amino]- 1H-pyrrol-2-yl]carbonyl]amino]-, (11aS)-; N-[3-(Dimethylamino)propyl]-4-[[4-[[4-[[(11aS)-5-oxo-7-methoxy-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-8-yl]oxy]butanoyl]amino]-1-methyl-1H-pyrrole-2-yl]carbonylamino]-1-methyl-1H-pyrrole-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709358	.	.	.	.	660.8	C34H44N8O6	152	1170	0.9	48	3	8	14	"InChI=1S/C34H44N8O6/c1-39(2)12-8-11-35-32(44)27-16-23(21-40(27)3)38-33(45)28-15-22(20-41(28)4)37-31(43)10-7-14-48-30-18-26-25(17-29(30)47-5)34(46)42-13-6-9-24(42)19-36-26/h15-21,24H,6-14H2,1-5H3,(H,35,44)(H,37,43)(H,38,45)/t24-/m0/s1"	CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)CCCOC3=C(C=C4C(=C3)N=C[C@@H]5CCCN5C4=O)OC	JJTVXTNABVMUMY-DEOSSOPVSA-N
DG58983	NSC709359	398965	"4-[4-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide; NSC709359; CHEMBL1997149; NSC-709359; NCI60_038589; N-[3-(Dimethylamino)propyl]-4-[[4-[[4-[[4-[[(11aS)-7-methoxy-1,2,3,11abeta-tetrahydro-5-oxo-5H-pyrrolo[2,1-c][1,4]benzodiazepine-8-yl]oxy]butanoyl]amino]-1-methyl-1H-pyrrole-2-yl]carbonylamino]-1-methyl-1H-pyrrole-2-yl]carbonylamino]-1-methyl-1H-pyrrole-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709359	.	.	.	.	782.9	C40H50N10O7	186	1470	0.8	57	4	9	16	"InChI=1S/C40H50N10O7/c1-46(2)13-9-12-41-37(52)31-17-26(23-47(31)3)44-39(54)33-18-27(24-49(33)5)45-38(53)32-16-25(22-48(32)4)43-36(51)11-8-15-57-35-20-30-29(19-34(35)56-6)40(55)50-14-7-10-28(50)21-42-30/h16-24,28H,7-15H2,1-6H3,(H,41,52)(H,43,51)(H,44,54)(H,45,53)/t28-/m0/s1"	CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCCN(C)C)C)C)NC(=O)CCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC	XXZBXMCALOWXBV-NDEPHWFRSA-N
DG58984	NSC709381	398982	"(25R)-26-O-beta-D-glucopyranosyl-22-O-methy-5.alpaha.-furostan-2alpha,22xi,26-tetrol 3-O-{O-alpha-L-rhamnosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside; CHEMBL1966207; NSC709381; NSC-709381; NCI60_038595; (25R)-26-O-.beta.-D-glucopyranosyl-22-O-methy-5.alpaha.- furostan-2.alpha.,22.xi.,26-tetrol 3-O-{O-.alpha.- L-rhamnosyl-(1->2)-O-[.beta.-D-glucopyranosyl-(1->4)-.beta.-D-galactopyranoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709381	.	.	.	.	1097.2	C52H88O24	376	1910	-1.4	76	14	24	16	"InChI=1S/C52H88O24/c1-20(19-68-46-40(63)38(61)35(58)30(16-53)71-46)9-12-52(67-6)21(2)33-29(76-52)14-26-24-8-7-23-13-28(27(56)15-51(23,5)25(24)10-11-50(26,33)4)70-49-45(75-47-41(64)37(60)34(57)22(3)69-47)43(66)44(32(18-55)73-49)74-48-42(65)39(62)36(59)31(17-54)72-48/h20-49,53-66H,7-19H2,1-6H3/t20-,21+,22 ,23+,24-,25+,26+,27-,28-,29 ,30 ,31 ,32 ,33 ,34 ,35 ,36 ,37 ,38 ,39 ,40 ,41 ,42 ,43 ,44 ,45 ,46 ,47 ,48 ,49 ,50+,51+,52 /m1/s1"	C[C@H]1C2C(C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)O)C)C)OC1(CC[C@@H](C)COC9C(C(C(C(O9)CO)O)O)O)OC	CBITYXQPHKKIBT-NDSFAVRRSA-N
DG58985	"[4-Amino-2-(ethylamino)-1,3-thiazol-5-yl](4-chlorophenyl)methanone"	399011	"NSC709432; CHEMBL2002416; ZINC1658106; STK781940; AKOS001748980; MCULE-4098560745; NSC-709432; NCGC00294783-01; NCI60_038599; AB01292110-01; [4-amino-2-(ethylamino)-1,3-thiazol-5-yl](4-chlorophenyl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709432	.	.	.	.	281.76	C12H12ClN3OS	96.2	297	4.1	18	2	5	4	"InChI=1S/C12H12ClN3OS/c1-2-15-12-16-11(14)10(18-12)9(17)7-3-5-8(13)6-4-7/h3-6H,2,14H2,1H3,(H,15,16)"	CCNC1=NC(=C(S1)C(=O)C2=CC=C(C=C2)Cl)N	FMWOBSRFNVLETF-UHFFFAOYSA-N
DG58986	(4-Amino-2-(phenylamino)thiazol-5-yl)(thiophene-2-yl)methanone	399012	NSC709433; SCHEMBL1250752; CHEMBL1999502; NSC-709433; NCI60_038600; (4-amino-2-(phenylamino)thiazol-5-yl)(thiophene-2-yl)methanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709433	.	.	.	.	301.4	C14H11N3OS2	125	349	4.7	20	2	6	4	"InChI=1S/C14H11N3OS2/c15-13-12(11(18)10-7-4-8-19-10)20-14(17-13)16-9-5-2-1-3-6-9/h1-8H,15H2,(H,16,17)"	C1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=CS3)N	XPKVIZDAFGYGOY-UHFFFAOYSA-N
DG58987	"3-(4-Amino-2-anilino-1,3-thiazole-5-carbonyl)chromen-2-one"	399014	NSC709435; CHEMBL1983124; NSC-709435; NCI60_038602	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709435	.	.	.	.	363.4	C19H13N3O3S	123	591	4.9	26	2	7	4	"InChI=1S/C19H13N3O3S/c20-17-16(26-19(22-17)21-12-7-2-1-3-8-12)15(23)13-10-11-6-4-5-9-14(11)25-18(13)24/h1-10H,20H2,(H,21,22)"	C1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC4=CC=CC=C4OC3=O)N	WZXNMGOIRGCGJJ-UHFFFAOYSA-N
DG58988	"[4-Amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone"	399016	NSC709437; CHEMBL1978789; ZINC01658111; NSC-709437; NCI60_038604	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709437	.	.	.	.	331.4	C15H13N3O2S2	134	391	4.7	22	2	7	5	"InChI=1S/C15H13N3O2S2/c1-20-10-6-4-9(5-7-10)17-15-18-14(16)13(22-15)12(19)11-3-2-8-21-11/h2-8H,16H2,1H3,(H,17,18)"	COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=CS3)N	WKYZBJBRRCHNQC-UHFFFAOYSA-N
DG58989	"[4-Amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-(furan-2-yl)methanone"	399017	NSC709438; CHEMBL1994107; NSC-709438; NCI60_038605	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709438	.	.	.	.	315.3	C15H13N3O3S	119	390	4.1	22	2	7	5	"InChI=1S/C15H13N3O3S/c1-20-10-6-4-9(5-7-10)17-15-18-14(16)13(22-15)12(19)11-3-2-8-21-11/h2-8H,16H2,1H3,(H,17,18)"	COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=CO3)N	LLMKKGKRWBVTBQ-UHFFFAOYSA-N
DG58990	"4-Thiazolamine, 5-[(1H-indol-3-yl)carbonyl]-2-[(4-methoxyphenyl)amino]-"	399018	"NSC709439; CHEMBL2001527; ZINC1658113; MCULE-5557082186; NSC-709439; NCI60_038606; 4-Thiazolamine, 5-[(1H-indol-3-yl)carbonyl]-2-[(4-methoxyphenyl)amino]-; {4-amino-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl}(1H-indol-3-yl)methanone; Methanone, [4-amino-2-[(4-methoxyphenyl)amino]-5-thiazolyl]-1H-indol-3-yl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709439	.	.	.	.	364.4	C19H16N4O2S	121	500	4.8	26	3	6	5	"InChI=1S/C19H16N4O2S/c1-25-12-8-6-11(7-9-12)22-19-23-18(20)17(26-19)16(24)14-10-21-15-5-3-2-4-13(14)15/h2-10,21H,20H2,1H3,(H,22,23)"	COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CNC4=CC=CC=C43)N	YZMDVWIQRJRQRE-UHFFFAOYSA-N
DG58991	"[4-Amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone"	399019	NSC709440; CHEMBL1979768; NSC-709440; NCI60_038607	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709440	.	.	.	.	335.8	C14H10ClN3OS2	125	379	5.3	21	2	6	4	"InChI=1S/C14H10ClN3OS2/c15-8-3-5-9(6-4-8)17-14-18-13(16)12(21-14)11(19)10-2-1-7-20-10/h1-7H,16H2,(H,17,18)"	C1=CSC(=C1)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)Cl)N	SBPHIPNBLYQLAF-UHFFFAOYSA-N
DG58992	"5,6-Dichloro-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)pyrimidin-4-amine;chloride"	399031	NSC709447; CHEMBL1993015; NSC-709447	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709447	.	.	.	.	354.6	C14H10Cl3N5	68.6	331	.	22	1	5	2	"InChI=1S/C14H10Cl2N5.ClH/c15-11-12(16)19-14(20-13(11)17)21-7-3-10(4-8-21)9-1-5-18-6-2-9;/h1-8H,(H2,17,19,20);1H/q+1;/p-1"	C1=CN=CC=C1C2=CC=[N+](C=C2)C3=NC(=C(C(=N3)Cl)Cl)N.[Cl-]	ZDXNVRPTQBDLSX-UHFFFAOYSA-M
DG58993	"4-[2-[4-[3-(4-Methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazol-2-yl]phenoxy]ethyl]morpholine"	399071	"NSC709482; CHEMBL1993396; NSC-709482; NCI60_038623; 4-[2-[4-[3-(4-methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazol-2-yl]phenoxy]ethyl]morpholine; Pyrazino[1,2-a]benzimidazole, 1,2-dihydro-3-(4-methoxyphenyl)-1-methylene-2-[4-[2-(4-morpholinyl)ethoxy]phenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709482	.	.	.	.	494.6	C30H30N4O3	52	799	4.8	37	0	6	7	"InChI=1S/C30H30N4O3/c1-22-30-31-27-5-3-4-6-28(27)33(30)21-29(23-7-11-25(35-2)12-8-23)34(22)24-9-13-26(14-10-24)37-20-17-32-15-18-36-19-16-32/h3-14,21H,1,15-20H2,2H3"	COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=C(C=C5)OCCN6CCOCC6	LXORPZDNCDYNIX-UHFFFAOYSA-N
DG58994	"4-[2-[4-[3-(4-Chlorophenyl)-1-methylene-pyrazino[1,2-a]benzimidazol-2-yl]phenoxy]ethyl]morpholine"	399072	"NSC709483; CHEMBL1992161; NSC-709483; NCI60_038624; 4-[2-[4-[3-(4-chlorophenyl)-1-methylene-pyrazino[1,2-a]benzimidazol-2-yl]phenoxy]ethyl]morpholine; Pyrazino[1,2-a]benzimidazole, 3-(4-chlorophenyl)-1,2-dihydro-1-methylene-2-[4-[2-(4-morpholinyl)ethoxy]phenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709483	.	.	.	.	499	C29H27ClN4O2	42.8	786	5.5	36	0	5	6	"InChI=1S/C29H27ClN4O2/c1-21-29-31-26-4-2-3-5-27(26)33(29)20-28(22-6-8-23(30)9-7-22)34(21)24-10-12-25(13-11-24)36-19-16-32-14-17-35-18-15-32/h2-13,20H,1,14-19H2"	C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=C(C=C4)OCCN5CCOCC5)C6=CC=C(C=C6)Cl	USGMCRSXSSPJHQ-UHFFFAOYSA-N
DG58995	"3-(4-Methoxyphenyl)-1-methylene-2-[4-[2-(1-piperidyl)ethoxy]phenyl]pyrazino[1,2-a]benzimidazole"	399073	"NSC709484; CHEMBL1976543; NSC-709484; NCI60_038625; 3-(4-methoxyphenyl)-1-methylene-2-[4-[2-(1-piperidyl)ethoxy]phenyl]pyrazino[1,2-a]benzimidazole; Pyrazino[1,2-a]benzimidazole, 1,2-dihydro-3-(4-methoxyphenyl)-1-methylene-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709484	.	.	.	.	492.6	C31H32N4O2	42.8	795	6.1	37	0	5	7	"InChI=1S/C31H32N4O2/c1-23-31-32-28-8-4-5-9-29(28)34(31)22-30(24-10-14-26(36-2)15-11-24)35(23)25-12-16-27(17-13-25)37-21-20-33-18-6-3-7-19-33/h4-5,8-17,22H,1,3,6-7,18-21H2,2H3"	COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=C(C=C5)OCCN6CCCCC6	INJDFHJYJUGOAJ-UHFFFAOYSA-N
DG58996	"7-(4-Chlorophenyl)-9-amino-6H-dibenzo[b,d]pyran-8,10-dicarbonitrile"	399085	"NSC709501; CHEMBL1973189; NSC-709501; NCI60_038629; 7-(4-Chlorophenyl)-9-amino-6H-dibenzo[b,d]pyran-8,10-dicarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709501	.	.	.	.	357.8	C21H12ClN3O	82.8	613	4.7	26	1	4	1	"InChI=1S/C21H12ClN3O/c22-13-7-5-12(6-8-13)19-15(9-23)21(25)16(10-24)20-14-3-1-2-4-18(14)26-11-17(19)20/h1-8H,11,25H2"	C1C2=C(C(=C(C(=C2C3=CC=CC=C3O1)C#N)N)C#N)C4=CC=C(C=C4)Cl	APEFDEUXZVKFBR-UHFFFAOYSA-N
DG58997	"9-amino-7-(3,4,5-trimethoxyphenyl)-6H-benzo[c]chromene-8,10-dicarbonitrile"	399086	NSC709502; CHEMBL1980557; NSC-709502; NCI60_038630	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709502	.	.	.	.	413.4	C24H19N3O4	111	715	3.9	31	1	7	4	"InChI=1S/C24H19N3O4/c1-28-19-8-13(9-20(29-2)24(19)30-3)21-15(10-25)23(27)16(11-26)22-14-6-4-5-7-18(14)31-12-17(21)22/h4-9H,12,27H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2=C(C(=C(C3=C2COC4=CC=CC=C43)C#N)N)C#N	PBMABKSVUQHTHT-UHFFFAOYSA-N
DG58998	"2-Amino-4-(4-methylphenyl)-2,5-dihydropyrano[3,2-c]chromene-3-carbonitrile"	399088	NSC709504; CHEMBL1995439; NSC-709504; NCI60_038631	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709504	.	.	.	.	316.4	C20H16N2O2	68.3	619	2.6	24	1	4	1	"InChI=1S/C20H16N2O2/c1-12-6-8-13(9-7-12)18-15(10-21)20(22)24-19-14-4-2-3-5-17(14)23-11-16(18)19/h2-9,20H,11,22H2,1H3"	CC1=CC=C(C=C1)C2=C(C(OC3=C2COC4=CC=CC=C43)N)C#N	ZIIDTTNNPHUGIN-UHFFFAOYSA-N
DG58999	"2-Amino-4-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrano[3,2-c]chromene-3-carbonitrile"	399089	NSC709505; CHEMBL1995070; NSC-709505; NCI60_038632	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709505	.	.	.	.	392.4	C22H20N2O5	96	725	2.1	29	1	7	4	"InChI=1S/C22H20N2O5/c1-25-17-8-12(9-18(26-2)21(17)27-3)19-14(10-23)22(24)29-20-13-6-4-5-7-16(13)28-11-15(19)20/h4-9,22H,11,24H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2=C(C(OC3=C2COC4=CC=CC=C43)N)C#N	XXIXKHXWHRNPMV-UHFFFAOYSA-N
DG59000	"2-amino-4H-thieno[2,3-c]chromene-1-carbonitrile"	399091	"2-amino-4H-thieno[2,3-c]chromene-1-carbonitrile; 907962-53-2; NSC709507; CHEMBL1968921; ZINC1658165; AKOS009151398; NSC-709507; NCI60_038633; CS-0240047; Z2216303129"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709507	.	.	.	.	228.27	C12H8N2OS	87.3	326	2.7	16	1	4	0	"InChI=1S/C12H8N2OS/c13-5-8-11-7-3-1-2-4-9(7)15-6-10(11)16-12(8)14/h1-4H,6,14H2"	C1C2=C(C3=CC=CC=C3O1)C(=C(S2)N)C#N	ONCNPQUIOLSGMJ-UHFFFAOYSA-N
DG59001	10.14272/Aoucpyfcrawrnu-uhfffaoysa-N.1	399096	"NSC709512; CHEMBL1973695; ZINC312919; NSC-709512; NCI60_038636; 10.14272/AOUCPYFCRAWRNU-UHFFFAOYSA-N.1; 10.14272/AOUCPYFCRAWRNU-UHFFFAOYSA-N.2; SR-01000466630; doi:10.14272/AOUCPYFCRAWRNU-UHFFFAOYSA-N.1; doi:10.14272/AOUCPYFCRAWRNU-UHFFFAOYSA-N.2; SR-01000466630-1; 4-Phenyl-1,2,3,5,9b-pentaaza-9bH-cyclopenta[a]naphthalene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709512	.	.	.	.	247.25	C14H9N5	56	317	2.3	19	0	4	1	InChI=1S/C14H9N5/c1-2-6-10(7-3-1)13-14-16-17-18-19(14)12-9-5-4-8-11(12)15-13/h1-9H	C1=CC=C(C=C1)C2=NC3=CC=CC=C3N4C2=NN=N4	AOUCPYFCRAWRNU-UHFFFAOYSA-N
DG59002	"1-(2-Chlorophenyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline"	399099	"NSC709515; CHEMBL1972497; 1-(2-chlorophenyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline; NSC-709515; NCI60_038637"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709515	.	.	.	.	356.8	C21H13ClN4	43.1	483	5.5	26	0	3	2	InChI=1S/C21H13ClN4/c22-16-11-5-4-10-15(16)20-24-25-21-19(14-8-2-1-3-9-14)23-17-12-6-7-13-18(17)26(20)21/h1-13H	C1=CC=C(C=C1)C2=NC3=CC=CC=C3N4C2=NN=C4C5=CC=CC=C5Cl	HLPSPPPEQFZLSA-UHFFFAOYSA-N
DG59003	"1-(3-Methoxyphenyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline"	399100	"NSC709516; CHEMBL1977372; NSC-709516; NCI60_038638; 1-(3-Methoxyphenyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709516	.	.	.	.	352.4	C22H16N4O	52.3	497	4.8	27	0	4	3	"InChI=1S/C22H16N4O/c1-27-17-11-7-10-16(14-17)21-24-25-22-20(15-8-3-2-4-9-15)23-18-12-5-6-13-19(18)26(21)22/h2-14H,1H3"	COC1=CC=CC(=C1)C2=NN=C3N2C4=CC=CC=C4N=C3C5=CC=CC=C5	SOZOSUYGIYYJSO-UHFFFAOYSA-N
DG59004	"2,5-diphenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline"	399102	"2,5-diphenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline; NSC709518; CHEMBL1996221; NSC-709518; NCI60_038639; 2,5-Diphenyl-11-hydro-1H-1,2,4-triazino[4,3-a]quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709518	.	.	.	.	336.4	C22H16N4	40.3	608	4.2	26	0	3	2	"InChI=1S/C22H16N4/c1-3-9-16(10-4-1)19-15-26-20-14-8-7-13-18(20)23-21(22(26)25-24-19)17-11-5-2-6-12-17/h1-14H,15H2"	C1C(=NN=C2N1C3=CC=CC=C3N=C2C4=CC=CC=C4)C5=CC=CC=C5	ALCAMMCRKMYAHH-UHFFFAOYSA-N
DG59005	"2-(4-methylphenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline"	399104	"NSC709520; 2-(4-methylphenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline; CHEMBL1969252; NSC-709520; NCI60_038641; 5-phenyl-2-(p-tolyl)-1H-[1,2,4]triazino[4,3-a]quinoxaline; 2-(4-Methylphenyl)-5-phenyl-11-hydro-1H-1,2,4-triazino[4,3-a]quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709520	.	.	.	.	350.4	C23H18N4	40.3	635	4.5	27	0	3	2	"InChI=1S/C23H18N4/c1-16-11-13-17(14-12-16)20-15-27-21-10-6-5-9-19(21)24-22(23(27)26-25-20)18-7-3-2-4-8-18/h2-14H,15H2,1H3"	CC1=CC=C(C=C1)C2=NN=C3C(=NC4=CC=CC=C4N3C2)C5=CC=CC=C5	XDONRLKNFFUDST-UHFFFAOYSA-N
DG59006	"2-(4-methoxyphenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline"	399105	"NSC709521; 2-(4-methoxyphenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline; CHEMBL1981913; NSC-709521; NCI60_038642"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709521	.	.	.	.	366.4	C23H18N4O	49.6	656	4.1	28	0	4	3	"InChI=1S/C23H18N4O/c1-28-18-13-11-16(12-14-18)20-15-27-21-10-6-5-9-19(21)24-22(23(27)26-25-20)17-7-3-2-4-8-17/h2-14H,15H2,1H3"	COC1=CC=C(C=C1)C2=NN=C3C(=NC4=CC=CC=C4N3C2)C5=CC=CC=C5	XWXFVNNUHYTIOG-UHFFFAOYSA-N
DG59007	"2-(5-anilino-1,3,4-thiadiazol-2-yl)-3H-benzo[f]chromen-3-one"	399116	"NSC709535; Oprea1_669494; CHEMBL1606148; HMS1795G12; ZINC970713; MCULE-8424297707; NSC-709535; NCGC00098272-01; NCI60_038644; SR-01000405992; SR-01000405992-1; 2-(5-anilino-1,3,4-thiadiazol-2-yl)-3H-benzo[f]chromen-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709535	.	.	.	.	371.4	C21H13N3O2S	92.4	592	5.1	27	1	6	3	"InChI=1S/C21H13N3O2S/c25-20-17(19-23-24-21(27-19)22-14-7-2-1-3-8-14)12-16-15-9-5-4-6-13(15)10-11-18(16)26-20/h1-12H,(H,22,24)"	C1=CC=C(C=C1)NC2=NN=C(S2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O	QDBYPRRKRSQQLO-UHFFFAOYSA-N
DG59008	2-imino-6-methoxy-N-naphthalen-1-ylchromene-3-carboxamide	399121	NSC709540; Oprea1_251103; CHEMBL1971663; NSC-709540; NCI60_038646	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709540	.	.	.	.	344.4	C21H16N2O3	71.4	588	4.3	26	2	4	3	"InChI=1S/C21H16N2O3/c1-25-15-9-10-19-14(11-15)12-17(20(22)26-19)21(24)23-18-8-4-6-13-5-2-3-7-16(13)18/h2-12,22H,1H3,(H,23,24)"	COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=O)NC3=CC=CC4=CC=CC=C43	RHCLYGWZCLVRJD-UHFFFAOYSA-N
DG59009	7-(diethylamino)-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide	399134	NSC709553; Oprea1_777053; CHEMBL1983707; NSC-709553; NCI60_038647; SR-01000005729; SR-01000005729-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709553	.	.	.	.	365.4	C21H23N3O3	74.6	573	3.9	27	2	5	6	"InChI=1S/C21H23N3O3/c1-4-24(5-2)15-11-10-14-12-16(20(22)27-19(14)13-15)21(25)23-17-8-6-7-9-18(17)26-3/h6-13,22H,4-5H2,1-3H3,(H,23,25)"	CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)NC3=CC=CC=C3OC	JSCXZPKHBWFCGE-UHFFFAOYSA-N
DG59010	"N-(2,4-dichlorophenyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide"	399143	NSC709562; CHEMBL1976524; NSC-709562; NCI60_038650	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709562	.	.	.	.	391.2	C19H16Cl2N2O3	67.4	589	3.8	26	2	3	2	"InChI=1S/C19H16Cl2N2O3/c1-19-9-12(11-4-2-3-5-15(11)26-19)16(18(25)23-19)17(24)22-14-7-6-10(20)8-13(14)21/h2-8,12,16H,9H2,1H3,(H,22,24)(H,23,25)"	CC12CC(C(C(=O)N1)C(=O)NC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4O2	VQVGLJIQJXWRCS-UHFFFAOYSA-N
DG59011	"11-Oxa-15-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione"	399163	NSC709582; CHEMBL2000404; NSC-709582; NCI60_038663	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709582	.	.	.	.	263.25	C16H9NO3	55.4	534	2.3	20	1	3	0	"InChI=1S/C16H9NO3/c18-15-8-14-12(16(19)17-15)7-11-10-4-2-1-3-9(10)5-6-13(11)20-14/h1-8H,(H,17,18,19)"	C1=CC=C2C(=C1)C=CC3=C2C=C4C(=CC(=O)NC4=O)O3	PXJYQSVXCUCADW-UHFFFAOYSA-N
DG59012	"7-(diethylamino)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)chromen-2-one"	399169	NSC709588; Oprea1_524058; CHEMBL1965690; NSC-709588; NCI60_038665; EU-0000702; SR-01000401142; SR-01000401142-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709588	.	.	.	.	360.4	C21H20N4O2	71.1	556	4.2	27	1	5	5	"InChI=1S/C21H20N4O2/c1-3-25(4-2)16-11-10-15-12-17(21(26)27-18(15)13-16)20-22-19(23-24-20)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H,22,23,24)"	CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC(=NN3)C4=CC=CC=C4	DCIQENUTBBHOJW-UHFFFAOYSA-N
DG59013	"2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one"	399170	"2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one; NSC709589; CHEMBL1994989; STK065845; ZINC18116924; 2-[5-(4-Nitro-phenyl)-4H-[1,2,4]triazol-3-yl]-benzo[f]chromen-3-one; AKOS000511857; MCULE-2035576807; NSC-709589; NCI60_038666; SR-01000393228; SR-01000393228-1; 313519-38-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709589	.	.	.	.	384.3	C21H12N4O4	114	685	4.4	29	1	6	2	"InChI=1S/C21H12N4O4/c26-21-17(11-16-15-4-2-1-3-12(15)7-10-18(16)29-21)20-22-19(23-24-20)13-5-8-14(9-6-13)25(27)28/h1-11H,(H,22,23,24)"	C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=NC(=NN4)C5=CC=C(C=C5)[N+](=O)[O-]	IRLJKCRAKCEEFC-UHFFFAOYSA-N
DG59014	Tachpyr	399175	"TACHPYR; 177660-40-1; 1-N,3-N,5-N-tris(pyridin-2-ylmethyl)cyclohexane-1,3,5-triamine; SCHEMBL1732541; CHEMBL1992656; DTXSID80938973; NSC709598; NSC-709598; NCI60_038668; NCI60_038796; 1,3,5-Tris[(2-pyridinylmethyl)amino]cyclohexane; n,n',n''-tris(2-pyridylmethyl)-cis,cis-1,3,5-triaminocyclohexane; N~1~,N~3~,N~5~-Tris[(pyridin-2-yl)methyl]cyclohexane-1,3,5-triamine; 1,5-Cyclohexanetriamine, N,N',N''-tris(2-pyridinylmethyl)-, (1.alpha.,3.alpha.,5.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709598	.	.	.	.	402.5	C24H30N6	74.8	396	1.4	30	3	6	9	"InChI=1S/C24H30N6/c1-4-10-25-19(7-1)16-28-22-13-23(29-17-20-8-2-5-11-26-20)15-24(14-22)30-18-21-9-3-6-12-27-21/h1-12,22-24,28-30H,13-18H2"	C1C(CC(CC1NCC2=CC=CC=N2)NCC3=CC=CC=N3)NCC4=CC=CC=N4	ILHFCLNOTOJYHF-UHFFFAOYSA-N
DG59015	"1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-prop-2-enyl-9H-phenanthren-9-yl]ethanone"	399176	NSC709746; CHEMBL2001928; NSC-709746; NCI60_038669	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709746	.	.	.	.	359.5	C24H25NO2	38.7	636	4	27	0	3	4	"InChI=1S/C24H25NO2/c1-5-14-24(22-25-23(3,4)15-27-22)20-13-9-8-11-18(20)17-10-6-7-12-19(17)21(24)16(2)26/h5-13,21H,1,14-15H2,2-4H3/t21-,24+/m1/s1"	CC(=O)[C@@H]1C2=CC=CC=C2C3=CC=CC=C3[C@]1(CC=C)C4=NC(CO4)(C)C	UAQKEOCMFQELOM-QPPBQGQZSA-N
DG59016	"Pyridazin-3(2H)-one,1-dibromo-2-oxopropyl)-5-(4-methoxyphenoxy)-"	399178	"NSC709748; CHEMBL2003197; NSC-709748; NCI60_038670; Pyridazin-3(2H)-one,1-dibromo-2-oxopropyl)- 5-(4-methoxyphenoxy)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709748	.	.	.	.	510.96	C14H11Br3N2O4	68.2	554	3.4	23	0	5	5	"InChI=1S/C14H11Br3N2O4/c1-8(20)14(16,17)19-13(21)12(15)11(7-18-19)23-10-5-3-9(22-2)4-6-10/h3-7H,1-2H3"	CC(=O)C(N1C(=O)C(=C(C=N1)OC2=CC=C(C=C2)OC)Br)(Br)Br	JUBVGAJBDTUOTF-UHFFFAOYSA-N
DG59017	23-O-acetylshengmanol xyloside	399180	23-O-acetylshengmanol xyloside; NSC709752; NSC-709752; NCI60_038672	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709752	.	.	.	.	662.8	C37H58O10	155	1300	4.2	47	4	10	8	"InChI=1S/C37H58O10/c1-18(15-21(45-19(2)38)30-33(5,6)47-30)25-27(41)29(43)35(8)23-10-9-22-32(3,4)24(46-31-28(42)26(40)20(39)16-44-31)11-12-36(22)17-37(23,36)14-13-34(25,35)7/h18,20-26,28-31,39-40,42-43H,9-17H2,1-8H3/t18-,20 ,21-,22+,23 ,24+,25+,26 ,28 ,29+,30+,31 ,34-,35-,36-,37+/m1/s1"	C[C@H](C[C@H]([C@H]1C(O1)(C)C)OC(=O)C)[C@H]2C(=O)[C@@H]([C@@]3([C@@]2(CC[C@]45C3CC[C@@H]6[C@]4(C5)CC[C@@H](C6(C)C)OC7C(C(C(CO7)O)O)O)C)C)O	IHEJMZHKJYHVFF-QBTGIYHESA-N
DG59018	"(24S)-24-O-acetyl,8-didehydroshengmanol xyloside"	399181	"NSC709753; CHEMBL1969197; NSC-709753; NCI60_038673; (24S)-24-O-acetyl,8-didehydroshengmanol xyloside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709753	.	.	.	.	678.8	C37H58O11	175	1360	2.5	48	6	11	6	"InChI=1S/C37H58O11/c1-18-15-21(28(32(5,6)43)46-19(2)38)48-37(44)27(18)33(7)13-14-36-17-35(36)12-11-24(47-29-26(41)25(40)20(39)16-45-29)31(3,4)22(35)9-10-23(36)34(33,8)30(37)42/h10,18,20-22,24-30,39-44H,9,11-17H2,1-8H3/t18-,20 ,21 ,22+,24+,25 ,26 ,27-,28+,29 ,30-,33-,34-,35-,36+,37-/m1/s1"	C[C@@H]1CC(O[C@@]2([C@H]1[C@]3(CC[C@@]45C[C@@]46CC[C@@H](C([C@@H]6CC=C5[C@@]3([C@H]2O)C)(C)C)OC7C(C(C(CO7)O)O)O)C)O)[C@@H](C(C)(C)O)OC(=O)C	FTUCJLKRCLNNPB-ANMMNYSUSA-N
DG59019	"2-Ethyl-4-(dimethylamino)-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid methyl ester"	399193	"NSC709855; CHEMBL1971793; NSC-709855; NCI60_038680; 2-Ethyl-4-(dimethylamino)-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709855	.	.	.	.	310.4	C19H22N2O2	42.4	426	3.6	23	0	4	4	"InChI=1S/C19H22N2O2/c1-5-15-16(19(22)23-4)18(21(2)3)14-11-10-12-8-6-7-9-13(12)17(14)20-15/h6-9H,5,10-11H2,1-4H3"	CCC1=C(C(=C2CCC3=CC=CC=C3C2=N1)N(C)C)C(=O)OC	BTEVIFBNQOUTRG-UHFFFAOYSA-N
DG59020	6-Hydroxyundulatine	399203	6-Hydroxyundulatine; CHEMBL1972836; NSC709876; NSC-709876; NCI60_038686	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709876	.	.	.	.	347.4	C18H21NO6	72.9	576	0.8	25	1	7	2	"InChI=1S/C18H21NO6/c1-21-9-6-11-18(16-14(9)25-16)3-4-19(11)17(20)12-8(18)5-10-13(15(12)22-2)24-7-23-10/h5,9,11,14,16-17,20H,3-4,6-7H2,1-2H3/t9-,11-,14+,16+,17 ,18+/m1/s1"	CO[C@@H]1C[C@@H]2[C@@]3(CCN2C(C4=C(C5=C(C=C43)OCO5)OC)O)[C@@H]6[C@H]1O6	MSOASAXKAHRWRY-IAWQIDCUSA-N
DG59021	Cirensenoxide G	399208	"Oplopanaxoside C; Cirensenoxide G; NSC709882; NSC-709882; NCI60_038688; Lup-20(29)-en-28-oic acid,23-dihydroxy-, O-6-deoxy-.alpha .-L-mannopyranosyl-(1.fwdarw.4)-O-.beta.-D-glucopyranosyl- (1.frdarw.6)-.beta.-D-glucopyranosyl ester, (3.beta.,4.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709882	.	.	.	.	943.1	C48H78O18	295	1770	1.9	66	11	18	11	"InChI=1S/C48H78O18/c1-21(2)23-10-15-48(17-16-46(6)24(30(23)48)8-9-28-44(4)13-12-29(51)45(5,20-50)27(44)11-14-47(28,46)7)43(60)66-42-37(58)34(55)32(53)26(64-42)19-61-40-38(59)35(56)39(25(18-49)63-40)65-41-36(57)33(54)31(52)22(3)62-41/h22-42,49-59H,1,8-20H2,2-7H3/t22 ,23-,24+,25 ,26 ,27+,28+,29-,30+,31 ,32 ,33 ,34 ,35 ,36 ,37 ,38 ,39 ,40 ,41 ,42 ,44-,45-,46+,47+,48-/m0/s1"	CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)[C@]45CC[C@H]([C@@H]4[C@H]6CC[C@@H]7[C@]8(CC[C@@H]([C@@]([C@@H]8CC[C@]7([C@@]6(CC5)C)C)(C)CO)O)C)C(=C)C)O)O)O)CO)O)O)O	VNTZDFZAGFBUPV-LLIXODNKSA-N
DG59022	"Isoxazolo[5,2,3-triazin-4(3H)-one, 3-(4-chlorophenyl)-5-methyl-"	399226	"NSC709900; CHEMBL1988880; NSC-709900; NCI60_038692; Isoxazolo[5,2,3-triazin-4(3H)-one, 3-(4-chlorophenyl)-5-methyl-; 3-Methyl-5-(4-chlorophenyl)-1-oxa-2,5,6,7-tetraaza-1H-inden-4(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709900	.	.	.	.	262.65	C11H7ClN4O2	71.1	370	2.9	18	0	5	1	"InChI=1S/C11H7ClN4O2/c1-6-9-10(18-14-6)13-15-16(11(9)17)8-4-2-7(12)3-5-8/h2-5H,1H3"	CC1=NOC2=C1C(=O)N(N=N2)C3=CC=C(C=C3)Cl	WAAQTRAHVAVRDT-UHFFFAOYSA-N
DG59023	"(3S)-1,4-Bis(4-methoxybenzyl)-3alpha-isopropyl-6beta-(2-propynyl)piperazine-2,5-dione"	399233	"NSC709906; CHEMBL1980214; NSC-709906; NCI60_038694; (3S)-1,4-Bis(4-methoxybenzyl)-3alpha-isopropyl-6beta-(2-propynyl)piperazine-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709906	.	.	.	.	434.5	C26H30N2O4	59.1	683	4	32	0	4	8	"InChI=1S/C26H30N2O4/c1-6-7-23-25(29)28(17-20-10-14-22(32-5)15-11-20)24(18(2)3)26(30)27(23)16-19-8-12-21(31-4)13-9-19/h1,8-15,18,23-24H,7,16-17H2,2-5H3/t23-,24+/m1/s1"	CC(C)[C@H]1C(=O)N([C@@H](C(=O)N1CC2=CC=C(C=C2)OC)CC#C)CC3=CC=C(C=C3)OC	OHRRBCMDVSOZPG-RPWUZVMVSA-N
DG59024	"N,N-Dimethyl-N'-[(4-phenyl-7,8-dichloropyrrolo[1,2-a]quinoxaline-1-yl)methyl]-1,2-ethanediamine"	399234	"NSC709907; CHEMBL1998178; NSC-709907; NCI60_038695; N,N-Dimethyl-N'-[(4-phenyl-7,8-dichloropyrrolo[1,2-a]quinoxaline-1-yl)methyl]-1,2-ethanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709907	.	.	.	.	413.3	C22H22Cl2N4	32.6	499	5.2	28	1	3	6	"InChI=1S/C22H22Cl2N4/c1-27(2)11-10-25-14-16-8-9-20-22(15-6-4-3-5-7-15)26-19-12-17(23)18(24)13-21(19)28(16)20/h3-9,12-13,25H,10-11,14H2,1-2H3"	CN(C)CCNCC1=CC=C2N1C3=CC(=C(C=C3N=C2C4=CC=CC=C4)Cl)Cl	DEKZGQFBQFDOJE-UHFFFAOYSA-N
DG59025	2-Methyl-3-(5-methylthiazole-2-yl)-7-chloroquinazoline-4(3H)-one	399240	NSC709913; CHEMBL2003925; NSC-709913; NCI60_038698; 2-Methyl-3-(5-methylthiazole-2-yl)-7-chloroquinazoline-4(3H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709913	.	.	.	.	291.76	C13H10ClN3OS	73.8	417	2.8	19	0	4	1	"InChI=1S/C13H10ClN3OS/c1-7-6-15-13(19-7)17-8(2)16-11-5-9(14)3-4-10(11)12(17)18/h3-6H,1-2H3"	CC1=CN=C(S1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)C	DMTKSTNSYIIGPV-UHFFFAOYSA-N
DG59026	NSC709922	399246	"1,6,11-Trihydroxy-8-[4-hydroxy-5-[5-hydroxy-4-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-methyl-5,6-dihydrobenzo[a]anthracene-7,12-dione; CHEMBL1965264; NSC709922; NSC-709922; NCI60_038701"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709922	.	.	.	.	712.7	C37H44O14	211	1320	2.5	51	6	14	6	"InChI=1S/C37H44O14/c1-14-9-18-11-22(41)31-33(29(18)21(40)10-14)36(45)30-20(39)5-7-24(32(30)35(31)44)49-27-12-23(42)37(17(4)48-27)51-28-13-25(34(43)16(3)47-28)50-26-8-6-19(38)15(2)46-26/h5,7,9-10,15-17,19,22-23,25-28,34,37-43H,6,8,11-13H2,1-4H3"	CC1C(CCC(O1)OC2CC(OC(C2O)C)OC3C(OC(CC3O)OC4=C5C(=C(C=C4)O)C(=O)C6=C(C5=O)C(CC7=C6C(=CC(=C7)C)O)O)C)O	RYRHTBKDZLGPGI-UHFFFAOYSA-N
DG59027	4-(5-Fluoro-benzothiazol-2-yl)-phenylamine	399247	"NSC709923; CHEMBL284993; SCHEMBL5691159; ZINC1658263; NSC-709923; NCI60_038702; 4-(5-fluoro-benzothiazol-2-yl)-phenylamine; 2-(4-amino-3-phenyl)-5-fluoro-benzothiazole; 4-(5-fluoro-1,3-benzothiazol-2-yl)phenylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709923	.	.	.	.	244.29	C13H9FN2S	67.2	268	3.7	17	1	4	1	"InChI=1S/C13H9FN2S/c14-9-3-6-12-11(7-9)16-13(17-12)8-1-4-10(15)5-2-8/h1-7H,15H2"	C1=CC(=CC=C1C2=NC3=C(S2)C=CC(=C3)F)N	JRGMCDOYPGMMEE-UHFFFAOYSA-N
DG59028	"2-Bromo-4-(5-fluoro-1,3-benzothiazol-2-yl)aniline"	399248	NSC709925; CHEMBL288796; SCHEMBL5691136; AKOS013640580; NSC-709925; NCI60_038704	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709925	.	.	.	.	323.19	C13H8BrFN2S	67.2	307	4.2	18	1	4	1	"InChI=1S/C13H8BrFN2S/c14-9-5-7(1-3-10(9)16)13-17-11-6-8(15)2-4-12(11)18-13/h1-6H,16H2"	C1=CC(=C(C=C1C2=NC3=C(S2)C=CC(=C3)F)Br)N	JKSUHEKFAYBVSV-UHFFFAOYSA-N
DG59029	2-Iodo-4-(5-fluoro-2-benzothiazolyl)aniline	399249	NSC709926; CHEMBL32818; SCHEMBL5691313; NSC-709926; NCI60_038705; 2-Iodo-4-(5-fluoro-2-benzothiazolyl)aniline; 5-Fluoro-2-(4'-amino-3'-iodophenyl)benzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709926	.	.	.	.	370.19	C13H8FIN2S	67.2	307	4.1	18	1	4	1	"InChI=1S/C13H8FIN2S/c14-8-2-4-12-11(6-8)17-13(18-12)7-1-3-10(16)9(15)5-7/h1-6H,16H2"	C1=CC(=C(C=C1C2=NC3=C(S2)C=CC(=C3)F)I)N	IMJKFJZKKOFDFI-UHFFFAOYSA-N
DG59030	"2-Chloro-4-(5-fluoro-1,3-benzothiazol-2-yl)aniline"	399250	NSC-709927; NSC709927; CHEMBL35225; SCHEMBL5691265; AKOS013640579; NCI60_038706	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709927	.	.	.	.	278.73	C13H8ClFN2S	67.2	307	4.1	18	1	4	1	"InChI=1S/C13H8ClFN2S/c14-9-5-7(1-3-10(9)16)13-17-11-6-8(15)2-4-12(11)18-13/h1-6H,16H2"	C1=CC(=C(C=C1C2=NC3=C(S2)C=CC(=C3)F)Cl)N	HBAAHNZQWSCZBY-UHFFFAOYSA-N
DG59031	[Methylenebis[p-phenyleneimino[(2-furyl)methylene]]]bis(phosphonic acid dimethyl) ester	399251	NSC709928; CHEMBL1997541; NSC-709928; NCI60_038707; [Methylenebis[p-phenyleneimino[(2-furyl)methylene]]]bis(phosphonic acid dimethyl) ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709928	.	.	.	.	574.5	C27H32N2O8P2	121	753	3.8	39	2	10	14	"InChI=1S/C27H32N2O8P2/c1-32-38(30,33-2)26(24-7-5-17-36-24)28-22-13-9-20(10-14-22)19-21-11-15-23(16-12-21)29-27(25-8-6-18-37-25)39(31,34-3)35-4/h5-18,26-29H,19H2,1-4H3"	COP(=O)(C(C1=CC=CO1)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(C4=CC=CO4)P(=O)(OC)OC)OC	XDFWRXORNCTNQE-UHFFFAOYSA-N
DG59032	NSC709948	399256	"[(1R,2S,10S,13S,14R,17S)-7-chloro-10,14-dimethyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4(9),5,7,19-tetraen-17-yl] acetate; NSC709948; CHEMBL1991244; NSC-709948; NCI60_038711"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709948	.	.	.	.	400	C24H30ClNO2	39.2	692	5.7	28	0	3	2	"InChI=1S/C24H30ClNO2/c1-14(27)28-17-8-10-23(2)16(13-17)5-6-18-19(23)9-11-24(3)20(18)12-15-4-7-21(25)26-22(15)24/h4-5,7,17-20H,6,8-13H2,1-3H3/t17-,18+,19-,20-,23-,24-/m0/s1"	CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC5=C4N=C(C=C5)Cl)C)C	KELDGAUJYYNWAF-MMJASOHGSA-N
DG59033	"Acetic acid 5'-methyl-2'-phenyl-2'H-androsta-16-eno[16,17-c]pyrazole-5-ene-3beta-yl ester"	399261	"NSC709953; CHEMBL1990916; NSC-709953; NCI60_038715; Acetic acid 5'-methyl-2'-phenyl-2'H-androsta-16-eno[16,17-c]pyrazole-5-ene-3beta-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709953	.	.	.	.	444.6	C29H36N2O2	44.1	818	6.3	33	0	3	3	"InChI=1S/C29H36N2O2/c1-18-27-26(31(30-18)21-8-6-5-7-9-21)17-25-23-11-10-20-16-22(33-19(2)32)12-14-28(20,3)24(23)13-15-29(25,27)4/h5-10,22-25H,11-17H2,1-4H3/t22-,23+,24-,25-,28-,29-/m0/s1"	CC1=NN(C2=C1[C@]3(CC[C@H]4[C@H]([C@@H]3C2)CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C)C6=CC=CC=C6	HPIRTPHVJCGGSC-UMALJDHNSA-N
DG59034	"(1R,2S,10S,13S,14R,17S)-7-chloro-10,14-dimethyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4(9),5,7,19-tetraen-17-ol"	399262	NSC709954; CHEMBL1985226; NSC-709954; NCI60_038716	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709954	.	.	.	.	357.9	C22H28ClNO	33.1	591	5.1	25	1	2	0	"InChI=1S/C22H28ClNO/c1-21-9-7-15(25)12-14(21)4-5-16-17(21)8-10-22(2)18(16)11-13-3-6-19(23)24-20(13)22/h3-4,6,15-18,25H,5,7-12H2,1-2H3/t15-,16+,17-,18-,21-,22-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC5=C4N=C(C=C5)Cl)C)O	GBPPARBNOIMUAG-ASOAYHERSA-N
DG59035	tert-butyl N-[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamoylamino]hexyl]carbamate	399266	NSC709958; CHEMBL2003487; NSC-709958; NCI60_038717	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709958	.	.	.	.	458.6	C23H46N4O5	118	522	3.8	32	4	5	16	"InChI=1S/C23H46N4O5/c1-17(13-9-11-15-24-20(29)31-22(3,4)5)26-19(28)27-18(2)14-10-12-16-25-21(30)32-23(6,7)8/h17-18H,9-16H2,1-8H3,(H,24,29)(H,25,30)(H2,26,27,28)"	CC(CCCCNC(=O)OC(C)(C)C)NC(=O)NC(C)CCCCNC(=O)OC(C)(C)C	WNFRXUVKTJASSL-UHFFFAOYSA-N
DG59036	"(2R,6R)-9,11-dibromo-3-oxa-10-thia-5-azatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione"	399280	NSC709969; CHEMBL1978964; NSC-709969; NCI60_038718	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709969	.	.	.	.	352.99	C8H3Br2NO3S	83.6	353	2.6	15	1	4	0	"InChI=1S/C8H3Br2NO3S/c9-6-1-2(7(10)15-6)5-3(4(1)12)11-8(13)14-5/h3,5H,(H,11,13)/t3-,5+/m0/s1"	[C@@H]12[C@@H](C3=C(SC(=C3C1=O)Br)Br)OC(=O)N2	QTMOAZOFQWGGSA-WVZVXSGGSA-N
DG59037	"N-(5-Phenyl-1,3,4-oxadiazole-2-yl)-2-[[morpholino(thiocarbonyl)]thio]-2-phenylacetamide"	399285	"NSC709974; CHEMBL1984221; NSC-709974; NCI60_038722; N-(5-Phenyl-1,3,4-oxadiazole-2-yl)-2-[[morpholino(thiocarbonyl)]thio]-2-phenylacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709974	.	.	.	.	440.5	C21H20N4O3S2	138	579	3.3	30	1	7	6	"InChI=1S/C21H20N4O3S2/c26-18(22-20-24-23-19(28-20)16-9-5-2-6-10-16)17(15-7-3-1-4-8-15)30-21(29)25-11-13-27-14-12-25/h1-10,17H,11-14H2,(H,22,24,26)"	C1COCCN1C(=S)SC(C2=CC=CC=C2)C(=O)NC3=NN=C(O3)C4=CC=CC=C4	CMVGELONSMNLBS-UHFFFAOYSA-N
DG59038	"N-(5-Phenyl-1,3,4-oxadiazole-2-yl)-2-[[piperidino(thiocarbonyl)]thio]-2-phenylacetamide"	399286	"NSC709975; CHEMBL1992226; NSC-709975; NCI60_038723; N-(5-Phenyl-1,3,4-oxadiazole-2-yl)-2-[[piperidino(thiocarbonyl)]thio]-2-phenylacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709975	.	.	.	.	438.6	C22H22N4O2S2	129	576	4.5	30	1	6	6	"InChI=1S/C22H22N4O2S2/c27-19(23-21-25-24-20(28-21)17-12-6-2-7-13-17)18(16-10-4-1-5-11-16)30-22(29)26-14-8-3-9-15-26/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,23,25,27)"	C1CCN(CC1)C(=S)SC(C2=CC=CC=C2)C(=O)NC3=NN=C(O3)C4=CC=CC=C4	FFAWKOIHTNVGLG-UHFFFAOYSA-N
DG59039	"N-(5-Phenyl-1,3,4-oxadiazole-2-yl)-2-[[(pyrrolidine-1-yl)(thiocarbonyl)]thio]-2-phenylacetamide"	399287	"NSC709976; CHEMBL2004560; NSC-709976; NCI60_038724; N-(5-Phenyl-1,3,4-oxadiazole-2-yl)-2-[[(pyrrolidine-1-yl)(thiocarbonyl)]thio]-2-phenylacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709976	.	.	.	.	424.5	C21H20N4O2S2	129	561	4.2	29	1	6	6	"InChI=1S/C21H20N4O2S2/c26-18(22-20-24-23-19(27-20)16-11-5-2-6-12-16)17(15-9-3-1-4-10-15)29-21(28)25-13-7-8-14-25/h1-6,9-12,17H,7-8,13-14H2,(H,22,24,26)"	C1CCN(C1)C(=S)SC(C2=CC=CC=C2)C(=O)NC3=NN=C(O3)C4=CC=CC=C4	CGTJIVDKIZSKBK-UHFFFAOYSA-N
DG59040	"N-(5-Phenyl-1,3,4-oxadiazole-2-yl)-2-[[morpholino(thiocarbonyl)]thio]propanamide"	399289	"NSC709978; CHEMBL1965992; NSC-709978; NCI60_038725; N-(5-Phenyl-1,3,4-oxadiazole-2-yl)-2-[[morpholino(thiocarbonyl)]thio]propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709978	.	.	.	.	378.5	C16H18N4O3S2	138	470	2	25	1	7	5	"InChI=1S/C16H18N4O3S2/c1-11(25-16(24)20-7-9-22-10-8-20)13(21)17-15-19-18-14(23-15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,19,21)"	CC(C(=O)NC1=NN=C(O1)C2=CC=CC=C2)SC(=S)N3CCOCC3	FJJSHCMKYLCZMJ-UHFFFAOYSA-N
DG59041	"1-Piperidinecarbodithioic acid,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl ester"	399291	"NSC709980; CHEMBL1974204; NSC-709980; NCI60_038727; 1-Piperidinecarbodithioic acid,3,4-oxadiazol-2-yl]amino]- 2-oxo-1-phenylethyl ester; N-[5-(4-Chlorophenyl)-1,3,4-oxadiazole-2-yl]-2-[[piperidino(thiocarbonyl)]thio]-2-phenylacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709980	.	.	.	.	473	C22H21ClN4O2S2	129	608	5.2	31	1	6	6	"InChI=1S/C22H21ClN4O2S2/c23-17-11-9-16(10-12-17)20-25-26-21(29-20)24-19(28)18(15-7-3-1-4-8-15)31-22(30)27-13-5-2-6-14-27/h1,3-4,7-12,18H,2,5-6,13-14H2,(H,24,26,28)"	C1CCN(CC1)C(=S)SC(C2=CC=CC=C2)C(=O)NC3=NN=C(O3)C4=CC=C(C=C4)Cl	ZVCIZVZFAQBPTO-UHFFFAOYSA-N
DG59042	"N,N-Dimethyldithiocarbamic acid 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-yl]amino]-2-oxo-1-methylethyl ester"	399292	"NSC709981; CHEMBL1967650; NSC-709981; NCI60_038728; N,N-Dimethyldithiocarbamic acid 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-yl]amino]-2-oxo-1-methylethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709981	.	.	.	.	370.9	C14H15ClN4O2S2	129	433	3	23	1	6	5	"InChI=1S/C14H15ClN4O2S2/c1-8(23-14(22)19(2)3)11(20)16-13-18-17-12(21-13)9-4-6-10(15)7-5-9/h4-8H,1-3H3,(H,16,18,20)"	CC(C(=O)NC1=NN=C(O1)C2=CC=C(C=C2)Cl)SC(=S)N(C)C	WLZKUZUIXOKTKB-UHFFFAOYSA-N
DG59043	"N-[5-(4-Chlorophenyl)-1,3,4-oxadiazole-2-yl]-2-[[morpholino(thiocarbonyl)]thio]propanamide"	399293	"NSC709982; CHEMBL2005074; NSC-709982; NCI60_038729; N-[5-(4-Chlorophenyl)-1,3,4-oxadiazole-2-yl]-2-[[morpholino(thiocarbonyl)]thio]propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709982	.	.	.	.	412.9	C16H17ClN4O3S2	138	502	2.7	26	1	7	5	"InChI=1S/C16H17ClN4O3S2/c1-10(26-16(25)21-6-8-23-9-7-21)13(22)18-15-20-19-14(24-15)11-2-4-12(17)5-3-11/h2-5,10H,6-9H2,1H3,(H,18,20,22)"	CC(C(=O)NC1=NN=C(O1)C2=CC=C(C=C2)Cl)SC(=S)N3CCOCC3	LOPMRWGKYIFGGP-UHFFFAOYSA-N
DG59044	"N-[5-(4-Chlorophenyl)-1,3,4-oxadiazole-2-yl]-2-[[piperidino(thiocarbonyl)]thio]propanamide"	399294	"NSC709983; CHEMBL1984041; NSC-709983; NCI60_038730; N-[5-(4-Chlorophenyl)-1,3,4-oxadiazole-2-yl]-2-[[piperidino(thiocarbonyl)]thio]propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709983	.	.	.	.	410.9	C17H19ClN4O2S2	129	499	3.9	26	1	6	5	"InChI=1S/C17H19ClN4O2S2/c1-11(26-17(25)22-9-3-2-4-10-22)14(23)19-16-21-20-15(24-16)12-5-7-13(18)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,19,21,23)"	CC(C(=O)NC1=NN=C(O1)C2=CC=C(C=C2)Cl)SC(=S)N3CCCCC3	PBEKGYULFSLLNO-UHFFFAOYSA-N
DG59045	"[1-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate"	399295	NSC709984; CHEMBL1997661; NSC-709984; NCI60_038731	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709984	.	.	.	.	396.9	C16H17ClN4O2S2	129	485	3.5	25	1	6	5	"InChI=1S/C16H17ClN4O2S2/c1-10(25-16(24)21-8-2-3-9-21)13(22)18-15-20-19-14(23-15)11-4-6-12(17)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,18,20,22)"	CC(C(=O)NC1=NN=C(O1)C2=CC=C(C=C2)Cl)SC(=S)N3CCCC3	IJFKIXCNVIJTIE-UHFFFAOYSA-N
DG59046	N'-(furan-2-ylmethyl)-1H-indole-2-carbohydrazide	399296	NSC709985; CHEMBL1967427; NSC-709985; NCI60_038732	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709985	.	.	.	.	255.27	C14H13N3O2	70.1	324	2	19	3	3	4	"InChI=1S/C14H13N3O2/c18-14(17-15-9-11-5-3-7-19-11)13-8-10-4-1-2-6-12(10)16-13/h1-8,15-16H,9H2,(H,17,18)"	C1=CC=C2C(=C1)C=C(N2)C(=O)NNCC3=CC=CO3	XOPMVSVMIJISLA-UHFFFAOYSA-N
DG59047	N-[bis[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide	399297	NSC709986; CHEMBL1988223; NSC-709986; NCI60_038733	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709986	.	.	.	.	425.5	C26H27N5O	63.7	617	5.8	32	2	4	6	"InChI=1S/C26H27N5O/c1-30(2)21-13-9-18(10-14-21)25(19-11-15-22(16-12-19)31(3)4)28-29-26(32)24-17-20-7-5-6-8-23(20)27-24/h5-17,27H,1-4H3,(H,29,32)"	CN(C)C1=CC=C(C=C1)C(=NNC(=O)C2=CC3=CC=CC=C3N2)C4=CC=C(C=C4)N(C)C	FVRMHXWKKOQTBZ-UHFFFAOYSA-N
DG59048	2-(1-Acetylindol-3-yl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one	399302	NSC709991; CHEMBL2004704; NSC-709991; NCI60_038735	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709991	.	.	.	.	344.4	C21H16N2O3	60.7	654	3.1	26	0	4	2	"InChI=1S/C21H16N2O3/c1-13(24)23-12-16(15-9-5-6-10-18(15)23)17-11-21(17)20(25)26-19(22-21)14-7-3-2-4-8-14/h2-10,12,17H,11H2,1H3"	CC(=O)N1C=C(C2=CC=CC=C21)C3CC34C(=O)OC(=N4)C5=CC=CC=C5	COXOBFSHHBLWJW-UHFFFAOYSA-N
DG59049	5-Benzylsulfanyl-2-phenyl-6-thia-4-azaspiro[2.4]hept-4-en-7-one	399304	NSC709993; CHEMBL1986909; NSC-709993; NCI60_038737	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709993	.	.	.	.	325.5	C18H15NOS2	80	466	4.5	22	0	4	4	"InChI=1S/C18H15NOS2/c20-16-18(11-15(18)14-9-5-2-6-10-14)19-17(22-16)21-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2"	C1C(C12C(=O)SC(=N2)SCC3=CC=CC=C3)C4=CC=CC=C4	LIJGKDZNDFHBDY-UHFFFAOYSA-N
DG59050	"2,4-dichloro-N-[3-(4-chlorophenyl)sulfonylthiophen-2-yl]benzamide"	399372	NSC710080; CHEMBL1986486; NSC-710080; NCI60_038759	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710080	.	.	.	.	446.8	C17H10Cl3NO3S2	99.9	605	6	26	1	4	4	"InChI=1S/C17H10Cl3NO3S2/c18-10-1-4-12(5-2-10)26(23,24)15-7-8-25-17(15)21-16(22)13-6-3-11(19)9-14(13)20/h1-9H,(H,21,22)"	C1=CC(=CC=C1S(=O)(=O)C2=C(SC=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl)Cl	YBAUVWXKOCIXKO-UHFFFAOYSA-N
DG59051	NSC710091	399374	"2-[2-[2-[6-[(1R,2S,3R,4R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-3,15-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; NSC710091; CHEMBL1965535; NSC-710091; NCI60_038761; .beta.-D-Galactopyranoside,3.beta.,5.alpha.,15. beta.,25R)-2,15-dihydroxyspirostan-3-yl O-.beta.-D-gluco pyranosyl-(1.fwdarw.3)-O-.beta.-D-galactopyranosyl-(1.fwdarw .2)-O-[.beta..-D-xylopyranosyl-(1.fwdarw.3)]-O-.beta.-D-glucopyranosyl-(1.fwdarw.4)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710091	.	.	.	.	1229.3	C56H92O29	455	2230	-3.9	85	17	29	14	"InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-43(73)40(70)44(30(16-60)80-50)81-53-48(46(36(66)29(15-59)79-53)82-49-41(71)33(63)25(62)18-74-49)84-52-47(39(69)35(65)28(14-58)78-52)83-51-42(72)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3/t19 ,20-,21-,22+,23-,24+,25 ,26+,27 ,28 ,29 ,30 ,31-,32+,33 ,34 ,35 ,36 ,37+,38 ,39 ,40 ,41 ,42 ,43 ,44 ,45+,46 ,47 ,48 ,49 ,50 ,51 ,52 ,53 ,54+,55-,56+/m0/s1"	C[C@H]1[C@H]2[C@H]([C@@H]([C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)O)O[C@]11CCC(CO1)C	RLZIBLMBIQELRO-VOOBEMDDSA-N
DG59052	[1-[[[2-Amino-6-chloro-5-[(4-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]methyl]-3-(2-phenylethyl)cyclopentyl]methanol	399379	NSC710099; CHEMBL1979372; NSC-710099; NCI60_038765	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710099	.	.	.	.	499.4	C25H28Cl2N6O	109	643	7.3	34	3	7	9	"InChI=1S/C25H28Cl2N6O/c26-19-8-10-20(11-9-19)32-33-21-22(27)30-24(28)31-23(21)29-15-25(16-34)13-12-18(14-25)7-6-17-4-2-1-3-5-17/h1-5,8-11,18,34H,6-7,12-16H2,(H3,28,29,30,31)"	C1CC(CC1CCC2=CC=CC=C2)(CNC3=C(C(=NC(=N3)N)Cl)N=NC4=CC=C(C=C4)Cl)CO	FGBCMWFHUAMCNL-UHFFFAOYSA-N
DG59053	"[1-[[(2,5-Diamino-6-chloropyrimidin-4-yl)amino]methyl]-3-(2-phenylethyl)cyclopentyl]methanol;hydrochloride"	399380	NSC710100; CHEMBL2004146; NSC-710100	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710100	.	.	.	.	412.4	C19H27Cl2N5O	110	436	.	27	5	6	7	"InChI=1S/C19H26ClN5O.ClH/c20-16-15(21)17(25-18(22)24-16)23-11-19(12-26)9-8-14(10-19)7-6-13-4-2-1-3-5-13;/h1-5,14,26H,6-12,21H2,(H3,22,23,24,25);1H"	C1CC(CC1CCC2=CC=CC=C2)(CNC3=C(C(=NC(=N3)N)Cl)N)CO.Cl	MSEBZHFUSBPXHI-UHFFFAOYSA-N
DG59054	[1-[[(2-Amino-6-chloropyrimidin-4-yl)amino]methyl]-3-benzylcyclopentyl]methanol	399382	NSC710101; CHEMBL1983868; NSC-710101; NCI60_038767	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710101	.	.	.	.	346.9	C18H23ClN4O	84.1	393	4.4	24	3	5	6	"InChI=1S/C18H23ClN4O/c19-15-9-16(23-17(20)22-15)21-11-18(12-24)7-6-14(10-18)8-13-4-2-1-3-5-13/h1-5,9,14,24H,6-8,10-12H2,(H3,20,21,22,23)"	C1CC(CC1CC2=CC=CC=C2)(CNC3=CC(=NC(=N3)N)Cl)CO	XCISOXLYQYWPBE-UHFFFAOYSA-N
DG59055	NSC710112	399393	"7-[4-[[(3Z)-5-chloro-2-oxo-3-(pyridine-4-carbonylhydrazono)indolin-1-yl]methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid; NSC710112; CHEMBL1991229; NSC-710112; NCI60_038777; 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-{[N4-5'-chloro- 3'-(isoniazidimino)-1'- isatino methyl] N'-piperazinyl}-3- quinoline carboxylic acid; 7-[4-[[(3Z)-5-chloro-2-oxo-3-(pyridine-4-carbonylhydrazono)indolin-1-yl]methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710112	.	.	.	.	632	C31H27ClFN7O5	144	1180	3.1	45	2	11	7	"InChI=1S/C31H27ClFN7O5/c1-2-38-16-22(31(44)45)28(41)21-14-23(33)26(15-25(21)38)39-11-9-37(10-12-39)17-40-24-4-3-19(32)13-20(24)27(30(40)43)35-36-29(42)18-5-7-34-8-6-18/h3-8,13-16,43H,2,9-12,17H2,1H3,(H,44,45)"	CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CN4C5=C(C=C(C=C5)Cl)C(=C4O)N=NC(=O)C6=CC=NC=C6)F)C(=O)O	NJNICGKSEKXTIQ-UHFFFAOYSA-N
DG59056	"Dimethyl 3-(4-chlorophenyl)-9-methylcarbazole-1,2-dicarboxylate"	399394	NSC710113; CHEMBL1988393; NSC-710113; NCI60_038778	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710113	.	.	.	.	407.8	C23H18ClNO4	57.5	620	5.3	29	0	4	5	"InChI=1S/C23H18ClNO4/c1-25-18-7-5-4-6-15(18)17-12-16(13-8-10-14(24)11-9-13)19(22(26)28-2)20(21(17)25)23(27)29-3/h4-12H,1-3H3"	CN1C2=CC=CC=C2C3=CC(=C(C(=C31)C(=O)OC)C(=O)OC)C4=CC=C(C=C4)Cl	BQQQHOORWHHFIG-UHFFFAOYSA-N
DG59057	"3-Benzhydryloxy-1,2-benzoxazole"	399396	NSC710117; CHEMBL1999490; NSC-710117; NCI60_038780	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710117	.	.	.	.	301.3	C20H15NO2	35.3	345	5.2	23	0	3	4	"InChI=1S/C20H15NO2/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)22-20-17-13-7-8-14-18(17)23-21-20/h1-14,19H"	C1=CC=C(C=C1)C(C2=CC=CC=C2)OC3=NOC4=CC=CC=C43	VVGHWYZJPQSFAR-UHFFFAOYSA-N
DG59058	"5-[1-(4-Chlorophenyl)cyclopentyl]-2,3-dihydroimidazo[1,2-b]isoindol-5-ol"	399397	NSC710118; CHEMBL1970438; NSC-710118; NCI60_038781	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710118	.	.	.	.	352.9	C21H21ClN2O	35.8	550	3.9	25	1	2	2	"InChI=1S/C21H21ClN2O/c22-16-9-7-15(8-10-16)20(11-3-4-12-20)21(25)18-6-2-1-5-17(18)19-23-13-14-24(19)21/h1-2,5-10,25H,3-4,11-14H2"	C1CCC(C1)(C2=CC=C(C=C2)Cl)C3(C4=CC=CC=C4C5=NCCN53)O	MQDPHNCOCOWZEF-UHFFFAOYSA-N
DG59059	"4-Methyl-5-aza-5H-indeno[2,1-f]azulene"	399411	"NSC710184; CHEMBL61619; NSC-710184; NCI60_038785; 4-Methyl-5-aza-5H-indeno[2,1-f]azulene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710184	.	.	.	.	231.29	C17H13N	15.8	313	4.4	18	1	0	0	"InChI=1S/C17H13N/c1-11-13-7-4-5-12(13)9-10-15-14-6-2-3-8-16(14)18-17(11)15/h2-10,18H,1H3"	CC1=C2C(=CC=C3C1=CC=C3)C4=CC=CC=C4N2	RTTUYQFUJQGIBB-UHFFFAOYSA-N
DG59060	"4-Methyl-11-(2-acetoxyethoxy)-5-aza-5H-indeno[2,1-f]azulene"	399412	"NSC710185; CHEMBL60354; NSC-710185; NCI60_038786; 4-Methyl-11-(2-acetoxyethoxy)-5-aza-5H-indeno[2,1-f]azulene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710185	.	.	.	.	333.4	C21H19NO3	51.3	482	4.6	25	1	3	5	"InChI=1S/C21H19NO3/c1-13-15-7-5-8-17(15)20(25-11-10-24-14(2)23)12-18-16-6-3-4-9-19(16)22-21(13)18/h3-9,12,22H,10-11H2,1-2H3"	CC1=C2C=CC=C2C(=CC3=C1NC4=CC=CC=C43)OCCOC(=O)C	IQJWIENRSWUZEU-UHFFFAOYSA-N
DG59061	"2,6-diamino-N-[4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]hexanamide;hydrochloride"	399419	NSC710196; CHEMBL1971447; NSC-710196	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710196	.	.	.	.	422.9	C20H24ClFN4OS	122	497	.	28	4	6	7	"InChI=1S/C20H23FN4OS.ClH/c1-12-10-13(20-25-17-8-6-14(21)11-18(17)27-20)5-7-16(12)24-19(26)15(23)4-2-3-9-22;/h5-8,10-11,15H,2-4,9,22-23H2,1H3,(H,24,26);1H"	CC1=C(C=CC(=C1)C2=NC3=C(S2)C=C(C=C3)F)NC(=O)C(CCCCN)N.Cl	ZBDHJAYKDDOPIG-UHFFFAOYSA-N
DG59062	Obtusol	399421	"Obtusol; 73494-22-1; CHEMBL1998798; DTXSID00994258; NSC710203; NSC-710203; NCI60_038788; 2,9-Dibromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undecan-3-ol; Spiro[5.5]undecan-3-ol,9-dibromo-8-chloro-1,1,9-trimethyl-5-methylene-, (2S,3R,6S,9S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710203	.	.	.	.	414.6	C15H23Br2ClO	20.2	398	4.7	19	1	1	0	"InChI=1S/C15H23Br2ClO/c1-9-7-10(19)12(16)13(2,3)15(9)6-5-14(4,17)11(18)8-15/h10-12,19H,1,5-8H2,2-4H3/t10-,11 ,12-,14 ,15+/m1/s1"	CC1([C@@H]([C@@H](CC(=C)[C@@]12CCC(C(C2)Cl)(C)Br)O)Br)C	JPQFUHCOKXIWBB-LJURCNODSA-N
DG59063	NSC710207	399425	"(1R,8R,10R,13R,14R)-1,2,14,17,17-pentamethyl-16-oxo-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5-carboxylic acid; NSC710207; NSC-710207; NCI60_038790"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710207	.	.	.	.	440.7	C29H44O3	54.4	887	7.5	32	1	3	2	"InChI=1S/C29H44O3/c1-17(2)18-10-13-29(24(31)32)15-14-27(6)19(23(18)29)8-9-21-26(5)16-22(30)25(3,4)20(26)11-12-28(21,27)7/h18-21,23H,1,8-16H2,2-7H3,(H,31,32)/t18-,19+,20 ,21+,23 ,26-,27 ,28+,29 /m0/s1"	CC(=C)[C@@H]1CCC2(C1[C@H]3CC[C@H]4[C@](C3(CC2)C)(CCC5[C@@]4(CC(=O)C5(C)C)C)C)C(=O)O	NUDCZUBEFGYVSS-OCBSILMYSA-N
DG59064	4-[5-[4-(5-Pyridin-4-ylfuran-2-yl)phenyl]furan-2-yl]pyridine	399432	NSC710271; CHEMBL1988379; NSC-710271; NCI60_038798	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710271	.	.	.	.	364.4	C24H16N2O2	52.1	437	4.6	28	0	4	4	InChI=1S/C24H16N2O2/c1-2-18(22-6-8-24(28-22)20-11-15-26-16-12-20)4-3-17(1)21-5-7-23(27-21)19-9-13-25-14-10-19/h1-16H	C1=CC(=CC=C1C2=CC=C(O2)C3=CC=NC=C3)C4=CC=C(O4)C5=CC=NC=C5	JEUTWEAYQYYYBF-UHFFFAOYSA-N
DG59065	"4,4'-[Oxybis(4,1-phenylene)]dipyridine"	399433	"4,4'-(Oxybis(4,1-phenylene))dipyridine; 4,4'-[Oxybis(4,1-phenylene)]dipyridine; NSC710272; CHEMBL1998657; SCHEMBL21379767; NSC-710272; NCI60_038799; CS-0170130"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710272	.	.	.	.	324.4	C22H16N2O	35	338	4.6	25	0	3	4	InChI=1S/C22H16N2O/c1-5-21(6-2-17(1)19-9-13-23-14-10-19)25-22-7-3-18(4-8-22)20-11-15-24-16-12-20/h1-16H	C1=CC(=CC=C1C2=CC=NC=C2)OC3=CC=C(C=C3)C4=CC=NC=C4	GYAUMGYIJNUMIZ-UHFFFAOYSA-N
DG59066	Omdpi	399457	"PX-316; CHEMBL1685066; UNII-4402R6R78D; 4402R6R78D; 253440-95-8; D-3-Deoxyphosphatidylinositol Ether Lipid; OMDPI; SCHEMBL21827058; BDBM50338967; NSC710297; NSC-710297; [(2R)-2-methoxy-3-octadecoxypropyl] [(1R,2R,3S,4R,6R)-2,3,4,6-tetrahydroxycyclohexyl] hydrogen phosphate; NCI60_038812; NCI60_040266; Phosphoric acid,2R,3S,4R,6R)-2,3,4,6-tetrahydroxycyclohexyl ester; 1-((1-o-Octadecyl-2-O-methyl-sn-glycerophospho)-1D-3-deoxy-myo-inositol; 1-O-(1-O-Octadecyl-2-O-methyl-L-glycero-3-phospho)-3-deoxy-D-myo-inositol; chiro-Inositol, 5-[hydrogen [(3R)-3-methoxy-4-(octadecyloxy)butyl]phosphate]; D-Myo-inositol, 3-deoxy-, 1-((2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen phosphate); (R)-2-methoxy-3-(octadecyloxy)propyl ((1R,2R,3S,4R,6R)-2,3,4,6-tetrahydroxycyclohexyl) hydrogen phosphate; 213388-41-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710297	.	.	.	.	584.7	C28H57O10P	155	625	5.3	39	5	10	25	"InChI=1S/C28H57O10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36-21-23(35-2)22-37-39(33,34)38-28-25(30)20-24(29)26(31)27(28)32/h23-32H,3-22H2,1-2H3,(H,33,34)/t23-,24-,25-,26+,27-,28-/m1/s1"	CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O[C@@H]1[C@@H](C[C@H]([C@@H]([C@H]1O)O)O)O)OC	GJZGRYXGQBWBEB-AVMFAVRISA-N
DG59067	"(2S)-2,6-diamino-N-[4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]hexanamide;hydrochloride"	399464	"NSC-710305; NSC710305; CHEMBL1998534; Hexanamide,6-diamino-N-[2-methyl-4-(5-fluoro-2-benzo thiazolyl)phenyl]-, (S)-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710305	.	.	.	.	422.9	C20H24ClFN4OS	122	497	.	28	4	6	7	"InChI=1S/C20H23FN4OS.ClH/c1-12-10-13(20-25-17-11-14(21)6-8-18(17)27-20)5-7-16(12)24-19(26)15(23)4-2-3-9-22;/h5-8,10-11,15H,2-4,9,22-23H2,1H3,(H,24,26);1H/t15-;/m0./s1"	CC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)NC(=O)[C@H](CCCCN)N.Cl	GHGASIKBHQCYKZ-RSAXXLAASA-N
DG59068	3-[2-[(Methylamino)[[2-oxo-2-(4-bromophenyl)ethyl]thio]methylene]hydrazono]-1H-indole-2(3H)-one	399475	"NSC710326; CHEMBL1996569; NSC-710326; NCI60_038816; 2-[2-(4-bromophenyl)-2-oxo-ethyl]-1-methyl-3-[(Z)-(2-oxoindolin-3-ylidene)amino]isothiourea; 3-[2-[(Methylamino)[[2-oxo-2-(4-bromophenyl)ethyl]thio]methylene]hydrazono]-1H-indole-2(3H)-one; 3-{(2E)-1,2-diaza-3-[2-(4-bromophenyl)-2-oxoethylthio]-3-(methylamino)prop-2-enylidene}indolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710326	.	.	.	.	431.3	C18H15BrN4O2S	116	551	5.3	26	2	5	6	"InChI=1S/C18H15BrN4O2S/c1-20-18(26-10-15(24)11-6-8-12(19)9-7-11)23-22-16-13-4-2-3-5-14(13)21-17(16)25/h2-9,21,25H,10H2,1H3"	CN=C(N=NC1=C(NC2=CC=CC=C21)O)SCC(=O)C3=CC=C(C=C3)Br	VRELBKWRSBTVLV-UHFFFAOYSA-N
DG59069	"[1-(7,8,9,10-Tetrahydrophenanthridin-6-yl)piperidin-4-yl]methanamine"	399484	MLS002702484; NSC710334; CHEMBL1706162; NSC-710334; NCI60_038823; SMR001566045	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710334	.	.	.	.	295.4	C19H25N3	42.2	364	3.8	22	1	3	2	"InChI=1S/C19H25N3/c20-13-14-9-11-22(12-10-14)19-17-7-2-1-5-15(17)16-6-3-4-8-18(16)21-19/h3-4,6,8,14H,1-2,5,7,9-13,20H2"	C1CCC2=C(C1)C3=CC=CC=C3N=C2N4CCC(CC4)CN	UUAKCBNXSFFFOQ-UHFFFAOYSA-N
DG59070	Artelastin	399488	"Artelastin; 182052-05-7; CHEMBL1969582; SCHEMBL15676124; DTXSID70327993; LMPK12111538; NSC710340; NSC-710340; NCI60_038825; 6H,3-b][1]benzopyran-7-one,3,8,10-tri hydroxy-9,11-bis(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710340	.	.	.	.	488.6	C30H32O6	96.2	962	7.8	36	3	6	5	"InChI=1S/C30H32O6/c1-15(2)7-10-20-26(32)21(11-8-16(3)4)30-25(27(20)33)28(34)24-23(13-17(5)6)35-22-14-18(31)9-12-19(22)29(24)36-30/h7-9,12-14,23,31-33H,10-11H2,1-6H3"	CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)C4=C(C=C(C=C4)O)OC3C=C(C)C)CC=C(C)C)O)C	TVPZDSSZKMMCLB-UHFFFAOYSA-N
DG59071	Artocarpesin	399491	"Artocarpesin; 3162-09-2; 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one; UNII-YLX5QUY8JU; YLX5QUY8JU; CHEMBL1915458; 2',4',5,7-Tetrahydroxy-6-(3-methyl-2-butenyl)flavone; NSC710343; DTXSID30327994; CHEBI:175537; ZINC1658458; BDBM50358100; LMPK12110892; NSC-710343; NCI60_038828; FT-0721720; Flavone,4',5,7-tetrahydroxy-6-(3-methyl-2-butenyl)-; Flavone, 2',4',5,7-tetrahydroxy-6-(3-methyl-2-butenyl)-; 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI; 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-; 4H-1-Benzopyran-4-one,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710343	.	.	.	.	354.4	C20H18O6	107	593	3.3	26	4	6	3	"InChI=1S/C20H18O6/c1-10(2)3-5-13-15(23)8-18-19(20(13)25)16(24)9-17(26-18)12-6-4-11(21)7-14(12)22/h3-4,6-9,21-23,25H,5H2,1-2H3"	CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)C	YWUVFGZTDLJVCR-UHFFFAOYSA-N
DG59072	Bryodulcosigenin	399493	"Bryodulcosigenin; CHEMBL465204; ZINC4097795; NSC710352; AKOS037515010; NSC-710352; NCI60_038830; (24R)-11-Oxocucurbit-5-ene-3.beta.,25-triol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710352	.	.	.	.	474.7	C30H50O4	77.8	858	5.1	34	3	4	5	"InChI=1S/C30H50O4/c1-18(9-13-24(32)27(4,5)34)19-15-16-28(6)22-12-10-20-21(11-14-23(31)26(20,2)3)30(22,8)25(33)17-29(19,28)7/h10,18-19,21-24,31-32,34H,9,11-17H2,1-8H3/t18-,19-,21-,22+,23+,24-,28+,29-,30+/m1/s1"	C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O)C)C)C	FPMQKXQOBKDVHF-DJHQPCGUSA-N
DG59073	Bryodulcosigenin-3-O-beta-D-glucopyranoside	399494	NSC710353; CHEMBL1996311; NSC-710353; NCI60_038831; Bryodulcosigenin-3-O-.beta.-D-glucopyranoside	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710353	.	.	.	.	636.9	C36H60O9	157	1150	3.5	45	6	9	8	"InChI=1S/C36H60O9/c1-19(9-13-25(38)33(4,5)43)20-15-16-34(6)24-12-10-21-22(36(24,8)26(39)17-35(20,34)7)11-14-27(32(21,2)3)45-31-30(42)29(41)28(40)23(18-37)44-31/h10,19-20,22-25,27-31,37-38,40-43H,9,11-18H2,1-8H3/t19-,20-,22-,23 ,24+,25-,27+,28 ,29 ,30 ,31 ,34+,35-,36+/m1/s1"	C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)C	XMWIWVZEGGOMAU-LLTPEREOSA-N
DG59074	"[3,4,5-Triacetyloxy-6-(2-sulfanylidenepyridin-1-yl)oxyoxan-2-yl]methyl acetate"	399501	NSC710362; CHEMBL1974161; NSC-710362; NCI60_038836	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710362	.	.	.	.	457.5	C19H23NO10S	159	795	0.6	31	0	11	11	"InChI=1S/C19H23NO10S/c1-10(21)25-9-14-16(26-11(2)22)17(27-12(3)23)18(28-13(4)24)19(29-14)30-20-8-6-5-7-15(20)31/h5-8,14,16-19H,9H2,1-4H3"	CC(=O)OCC1C(C(C(C(O1)ON2C=CC=CC2=S)OC(=O)C)OC(=O)C)OC(=O)C	OYGSCZAWFQDNRI-UHFFFAOYSA-N
DG59075	"2-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methylphenyl)butane-1,3-dione"	399504	CHEMBL1993340; NSC710365; NSC-710365; NCI60_038838	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710365	.	.	.	.	376.4	C21H28O6	71.1	575	2.4	27	0	6	5	"InChI=1S/C21H28O6/c1-12-7-9-14(10-8-12)17(23)16(13(2)22)19-18(26-21(5,6)27-19)15-11-24-20(3,4)25-15/h7-10,15-16,18-19H,11H2,1-6H3/t15-,16 ,18-,19+/m1/s1"	CC1=CC=C(C=C1)C(=O)C([C@H]2[C@H](OC(O2)(C)C)[C@H]3COC(O3)(C)C)C(=O)C	BZFZGHUYWOTJBG-VBZNHOPUSA-N
DG59076	"1-N,4-N-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine"	399510	NSC710373; CHEMBL1969782; NSC-710373; NCI60_038839	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710373	.	.	.	.	454.6	C26H22N4S2	106	522	7.9	32	2	6	6	"InChI=1S/C26H22N4S2/c1-17-23(19-9-5-3-6-10-19)29-25(31-17)27-21-13-15-22(16-14-21)28-26-30-24(18(2)32-26)20-11-7-4-8-12-20/h3-16H,1-2H3,(H,27,29)(H,28,30)"	CC1=C(N=C(S1)NC2=CC=C(C=C2)NC3=NC(=C(S3)C)C4=CC=CC=C4)C5=CC=CC=C5	VTDVNFSLINQWOW-UHFFFAOYSA-N
DG59077	NSC710386	399523	"methyl 2-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-4-nitroso-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(1H-indol-3-yl)propanoate; NSC710386; CHEMBL1989194; NSC-710386; NCI60_038843"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710386	.	.	.	.	629.7	C34H39N5O7	157	1250	3.2	46	4	10	8	"InChI=1S/C34H39N5O7/c1-5-32-11-8-13-39-14-12-33(28(32)39)21-16-23(37-44)26(45-3)17-25(21)38(2)29(33)34(43,30(32)41)31(42)36-24(27(40)46-4)15-19-18-35-22-10-7-6-9-20(19)22/h6-11,16-18,24,28-30,35,41,43H,5,12-15H2,1-4H3,(H,36,42)/t24 ,28-,29+,30+,32+,33+,34-/m0/s1"	CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2O)(C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)OC)O)N(C7=CC(=C(C=C47)N=O)OC)C	CHTBCXVHHSLSTN-HLOSGSRESA-N
DG59078	"Tetraethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate"	399524	"NSC710387; CHEMBL1996656; NSC-710387; NCI60_038844; 3-Oxospiro[4-thia-3H-1,2-benzodithiol-7(4H),2'-[1,3]dithiol]-4',5,5',6-tetracarboxylic acid tetraethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710387	.	.	.	.	564.7	C20H20O9S5	249	1010	3.5	34	0	14	12	"InChI=1S/C20H20O9S5/c1-5-26-15(21)9-10(16(22)27-6-2)30-13-14(33-34-19(13)25)20(9)31-11(17(23)28-7-3)12(32-20)18(24)29-8-4/h5-8H2,1-4H3"	CCOC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OCC)C(=O)OCC)SSC2=O)C(=O)OCC	SWFNHNRUYGVKEG-UHFFFAOYSA-N
DG59079	"Dimethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,6'-dicarboxylate"	399526	NSC710390; CHEMBL1977080; NSC-710390; NCI60_038845	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710390	.	.	.	.	392.5	C12H8O5S5	196	679	1.9	22	0	10	4	"InChI=1S/C12H8O5S5/c1-16-9(13)5-3-18-7-8(21-22-11(7)15)12(5)19-4-6(20-12)10(14)17-2/h3-4H,1-2H3"	COC(=O)C1=CSC2=C(C13SC=C(S3)C(=O)OC)SSC2=O	DFVGJIKOCFXRMT-UHFFFAOYSA-N
DG59080	"2,3,6,7-Tetrabenzoylthiopyrano[3,2-b]thiopyran-4,8-dione"	399527	NSC710391; CHEMBL1975524; NSC-710391; NCI60_038846	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710391	.	.	.	.	612.7	C36H20O6S2	153	1240	7.5	44	0	8	8	InChI=1S/C36H20O6S2/c37-27(21-13-5-1-6-14-21)25-31(41)35-36(43-33(25)29(39)23-17-9-3-10-18-23)32(42)26(28(38)22-15-7-2-8-16-22)34(44-35)30(40)24-19-11-4-12-20-24/h1-20H	C1=CC=C(C=C1)C(=O)C2=C(SC3=C(C2=O)SC(=C(C3=O)C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6	DLYDHGZBDLRJFZ-UHFFFAOYSA-N
DG59081	"4,5,5',6'-Tetrabenzoylspiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-3'-one"	399528	NSC710392; CHEMBL2005656; NSC-710392; NCI60_038847	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710392	.	.	.	.	692.9	C36H20O5S5	212	1360	8	46	0	10	8	InChI=1S/C36H20O5S5/c37-26(21-13-5-1-6-14-21)25-30(27(38)22-15-7-2-8-16-22)42-33-34(45-46-35(33)41)36(25)43-31(28(39)23-17-9-3-10-18-23)32(44-36)29(40)24-19-11-4-12-20-24/h1-20H	C1=CC=C(C=C1)C(=O)C2=C(SC3=C(C24SC(=C(S4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6)SSC3=O)C(=O)C7=CC=CC=C7	XAFGTYMJYPOWCY-UHFFFAOYSA-N
DG59082	"Dimethyl 4,6-bis[(4-methoxyphenyl)imino]thieno[2,3-c]thiophene-2,3-dicarboxylate"	399529	NSC710393; CHEMBL1972046; NSC-710393; NCI60_038848	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710393	.	.	.	.	496.6	C24H20N2O6S2	149	805	5.5	34	0	10	8	"InChI=1S/C24H20N2O6S2/c1-29-15-9-5-13(6-10-15)25-21-17-18(23(27)31-3)20(24(28)32-4)33-19(17)22(34-21)26-14-7-11-16(30-2)12-8-14/h5-12H,1-4H3"	COC1=CC=C(C=C1)N=C2C3=C(C(=NC4=CC=C(C=C4)OC)S2)SC(=C3C(=O)OC)C(=O)OC	JCKAORPAQRCQAA-UHFFFAOYSA-N
DG59083	"3-Methyl-5a,6-dihydrochromeno[2,3-b]indol-11-ol"	399532	NSC710396; CHEMBL1991254; NSC-710396; NCI60_038849	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710396	.	.	.	.	251.28	C16H13NO2	41.5	406	3	19	2	3	0	"InChI=1S/C16H13NO2/c1-9-6-7-11-13(8-9)19-16-14(15(11)18)10-4-2-3-5-12(10)17-16/h2-8,16-18H,1H3"	CC1=CC2=C(C=C1)C(=C3C(O2)NC4=CC=CC=C43)O	CLPXQTQQKSHKTM-UHFFFAOYSA-N
DG59084	2-Pyridin-2-ylsulfanyl-6-(trifluoromethyl)quinoxaline	399538	NSC710402; CHEMBL1987234; NSC-710402; NCI60_038851	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710402	.	.	.	.	307.3	C14H8F3N3S	64	353	3.8	21	0	7	2	"InChI=1S/C14H8F3N3S/c15-14(16,17)9-4-5-10-11(7-9)19-8-13(20-10)21-12-3-1-2-6-18-12/h1-8H"	C1=CC=NC(=C1)SC2=CN=C3C=C(C=CC3=N2)C(F)(F)F	ISFKQEPUOIUUGX-UHFFFAOYSA-N
DG59085	"Diethyl 2-[[4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoyl]amino]pentanedioate"	399539	"NSC710403; CHEMBL1999031; NSC-710403; diethyl 2-[[4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoyl]amino]pentanedioate; NCI60_038852; Glutamic acid, N-[4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoyl]-, diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710403	.	.	.	.	503.5	C28H29N3O6	108	771	4.5	37	1	7	13	"InChI=1S/C28H29N3O6/c1-3-35-26(32)16-15-22(28(34)36-4-2)30-27(33)19-11-13-20(14-12-19)37-18-23-25-10-7-17-31(25)24-9-6-5-8-21(24)29-23/h5-14,17,22H,3-4,15-16,18H2,1-2H3,(H,30,33)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N4C2=CC=C4	RHNOBPWFHZWHCU-UHFFFAOYSA-N
DG59086	"4-[(3,4,5-Trimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline"	399540	"NSC710404; 4-[(3,4,5-trimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline; CHEMBL1981142; NSC-710404; NCI60_038853; Pyrrolo[1,2-a]quinoxaline, 4-[(3,4,5-trimethoxyphenoxy)methyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710404	.	.	.	.	364.4	C21H20N2O4	54.2	465	4.3	27	0	5	6	"InChI=1S/C21H20N2O4/c1-24-19-11-14(12-20(25-2)21(19)26-3)27-13-16-18-9-6-10-23(18)17-8-5-4-7-15(17)22-16/h4-12H,13H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)OCC2=NC3=CC=CC=C3N4C2=CC=C4	BEJCRZZFAIBPOP-UHFFFAOYSA-N
DG59087	Diethyl 2-[[4-[(3-chloro-2-phenylquinoxalin-6-yl)methylamino]naphthalene-1-carbonyl]amino]pentanedioate	399541	NSC710405; CHEMBL1973235; NSC-710405; NCI60_038854	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710405	.	.	.	.	625.1	C35H33ClN4O5	120	980	6.7	45	2	8	14	"InChI=1S/C35H33ClN4O5/c1-3-44-31(41)19-18-29(35(43)45-4-2)40-34(42)26-15-17-27(25-13-9-8-12-24(25)26)37-21-22-14-16-28-30(20-22)39-33(36)32(38-28)23-10-6-5-7-11-23/h5-17,20,29,37H,3-4,18-19,21H2,1-2H3,(H,40,42)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C2=CC=CC=C21)NCC3=CC4=C(C=C3)N=C(C(=N4)Cl)C5=CC=CC=C5	SZOKBHZEOQEOLD-UHFFFAOYSA-N
DG59088	"Diethyl 2-[[4-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]naphthalene-1-carbonyl]amino]pentanedioate"	399542	NSC710406; CHEMBL1980170; NSC-710406; NCI60_038855	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710406	.	.	.	.	574.6	C31H34N4O7	138	891	4.7	42	2	10	15	"InChI=1S/C31H34N4O7/c1-5-41-27(36)16-15-25(31(38)42-6-2)33-28(37)22-12-14-23(21-10-8-7-9-20(21)22)32-18-19-11-13-24-26(17-19)35-30(40-4)29(34-24)39-3/h7-14,17,25,32H,5-6,15-16,18H2,1-4H3,(H,33,37)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C2=CC=CC=C21)NCC3=CC4=C(C=C3)N=C(C(=N4)OC)OC	SGNFDTJHZRJZKN-UHFFFAOYSA-N
DG59089	NSC710412	399548	"1-(2,4-dichlorophenyl)-N-[2-[2-[[1-(2,4-dichlorophenyl)-4H-indeno[1,2-c]pyrazole-3-carbonyl]amino]ethyl-methylamino]ethyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide; NSC710412; CHEMBL2006773; NSC-710412; NCI60_038861"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710412	.	.	.	.	771.5	C39H31Cl4N7O2	97.1	1180	8.7	52	2	5	10	"InChI=1S/C39H31Cl4N7O2/c1-48(16-14-44-38(51)34-28-18-22-6-2-4-8-26(22)36(28)49(46-34)32-12-10-24(40)20-30(32)42)17-15-45-39(52)35-29-19-23-7-3-5-9-27(23)37(29)50(47-35)33-13-11-25(41)21-31(33)43/h2-13,20-21H,14-19H2,1H3,(H,44,51)(H,45,52)"	CN(CCNC(=O)C1=NN(C2=C1CC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl)CCNC(=O)C5=NN(C6=C5CC7=CC=CC=C76)C8=C(C=C(C=C8)Cl)Cl	PVIPVMAFOPCNHR-UHFFFAOYSA-N
DG59090	NSC710413	399549	"1-methyl-N-[3-[methyl-[3-[(1-methyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]propyl]amino]propyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide; NSC710413; CHEMBL2002495; NSC-710413; NCI60_038862"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710413	.	.	.	.	537.7	C31H35N7O2	97.1	833	3.5	40	2	5	10	"InChI=1S/C31H35N7O2/c1-36(16-8-14-32-30(39)26-24-18-20-10-4-6-12-22(20)28(24)37(2)34-26)17-9-15-33-31(40)27-25-19-21-11-5-7-13-23(21)29(25)38(3)35-27/h4-7,10-13H,8-9,14-19H2,1-3H3,(H,32,39)(H,33,40)"	CN1C2=C(CC3=CC=CC=C32)C(=N1)C(=O)NCCCN(C)CCCNC(=O)C4=NN(C5=C4CC6=CC=CC=C65)C	ALYPQNQVLSGRNW-UHFFFAOYSA-N
DG59091	NSC710415	399551	"1-(2,4-dichlorophenyl)-N-[3-[3-[[1-(2,4-dichlorophenyl)-4H-indeno[1,2-c]pyrazole-3-carbonyl]amino]propyl-methylamino]propyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide; NSC710415; CHEMBL1981432; SCHEMBL16253294; NSC-710415; NCI60_038864"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710415	.	.	.	.	799.6	C41H35Cl4N7O2	97.1	1210	9.4	54	2	5	12	"InChI=1S/C41H35Cl4N7O2/c1-50(18-6-16-46-40(53)36-30-20-24-8-2-4-10-28(24)38(30)51(48-36)34-14-12-26(42)22-32(34)44)19-7-17-47-41(54)37-31-21-25-9-3-5-11-29(25)39(31)52(49-37)35-15-13-27(43)23-33(35)45/h2-5,8-15,22-23H,6-7,16-21H2,1H3,(H,46,53)(H,47,54)"	CN(CCCNC(=O)C1=NN(C2=C1CC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl)CCCNC(=O)C5=NN(C6=C5CC7=CC=CC=C76)C8=C(C=C(C=C8)Cl)Cl	QVFFQVGESPHDCZ-UHFFFAOYSA-N
DG59092	"[8-methyl-7-(propan-2-ylcarbamoyloxymethyl)thieno[3,2-g]indol-6-yl]methyl N-propan-2-ylcarbamate"	399552	NSC710416; CHEMBL1972697; NSC-710416; NCI60_038865	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710416	.	.	.	.	417.5	C21H27N3O4S	110	588	3.7	29	2	5	8	"InChI=1S/C21H27N3O4S/c1-12(2)22-20(25)27-10-16-15-7-6-14-8-9-29-19(14)18(15)24(5)17(16)11-28-21(26)23-13(3)4/h6-9,12-13H,10-11H2,1-5H3,(H,22,25)(H,23,26)"	CC(C)NC(=O)OCC1=C(N(C2=C1C=CC3=C2SC=C3)C)COC(=O)NC(C)C	HBNCHGPKFBUAGH-UHFFFAOYSA-N
DG59093	3-Chloro-2-(1-acetyl-5-chloro-1H-pyrazol-3-yl)quinoxaline	399572	NSC710446; CHEMBL1966159; NSC-710446; NCI60_038876; 3-Chloro-2-(1-acetyl-5-chloro-1H-pyrazol-3-yl)quinoxaline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710446	.	.	.	.	307.13	C13H8Cl2N4O	60.7	383	3	20	0	4	1	"InChI=1S/C13H8Cl2N4O/c1-7(20)19-11(14)6-10(18-19)12-13(15)17-9-5-3-2-4-8(9)16-12/h2-6H,1H3"	CC(=O)N1C(=CC(=N1)C2=NC3=CC=CC=C3N=C2Cl)Cl	QSTYJADXJPMKFH-UHFFFAOYSA-N
DG59094	NSC710447	399573	"8-Methyl-18-methylsulfonyl-6,20-dioxa-2,8,18-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),10,12,15,17(22)-heptaene; NSC710447; CHEMBL2005965; NSC-710447; NCI60_038877; 4-Methyl-10-mesyl-1,3,4,10,11,13-hexahydro-2,12-dioxa-4,10,14-triazadibenzo[a,j]anthracene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710447	.	.	.	.	385.4	C19H19N3O4S	80.4	668	1.8	27	0	7	1	"InChI=1S/C19H19N3O4S/c1-21-10-25-8-14-16(21)5-3-12-7-13-4-6-17-15(19(13)20-18(12)14)9-26-11-22(17)27(2,23)24/h3-7H,8-11H2,1-2H3"	CN1COCC2=C1C=CC3=CC4=C(C5=C(C=C4)N(COC5)S(=O)(=O)C)N=C23	QUBYUZBTDMCJNT-UHFFFAOYSA-N
DG59095	"(1R,4R,5R,6R)-5,6-Bis(phenylsulfonyl)-7-oxabicyclo[2.2.1]hepta-2-ene-1-(methanethiol)"	399574	"NSC710448; CHEMBL1987936; NSC-710448; NCI60_038878; (1R,4R,5R,6R)-5,6-Bis(phenylsulfonyl)-7-oxabicyclo[2.2.1]hepta-2-ene-1-(methanethiol)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710448	.	.	.	.	422.5	C19H18O5S3	95.3	780	2.3	27	1	6	5	"InChI=1S/C19H18O5S3/c20-26(21,14-7-3-1-4-8-14)17-16-11-12-19(13-25,24-16)18(17)27(22,23)15-9-5-2-6-10-15/h1-12,16-18,25H,13H2/t16-,17-,18+,19-/m1/s1"	C1=CC=C(C=C1)S(=O)(=O)[C@@H]2[C@H]3C=C[C@@]([C@H]2S(=O)(=O)C4=CC=CC=C4)(O3)CS	BEGMYFNWGNIGOA-AKHDSKFASA-N
DG59096	"(4R)-2-(2-Pyridyl)-4-phenyl-5,5-dimethyl-2H,2H-1,3,2-dioxaphosphorinane-2-thione"	399579	"NSC710456; CHEMBL1994350; NSC-710456; NCI60_038879; NCI60_038880; (4R)-2-(2-Pyridyl)-4-phenyl-5,5-dimethyl-2H,2H-1,3,2-dioxaphosphorinane-2-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710456	.	.	.	.	319.4	C16H18NO2PS	63.4	409	4.5	21	0	4	2	"InChI=1S/C16H18NO2PS/c1-16(2)12-18-20(21,14-10-6-7-11-17-14)19-15(16)13-8-4-3-5-9-13/h3-11,15H,12H2,1-2H3/t15-,20 /m1/s1"	CC1(COP(=S)(O[C@@H]1C2=CC=CC=C2)C3=CC=CC=N3)C	PFWNRRXWRSEWGF-IWPPFLRJSA-N
DG59097	CID 399587	399587	"AFP464; 468719-52-0; NSC710464; CHEMBL1970911; NSC-710464; 4H-1-Benzopyran-4-one,8-difluoro- 2-[3-fluoro-4-[(L-lysyl)amino]phenyl]-7-methyl-, dimethanesulfonate; Hexanamide,6-diamino-N-[4-(5-amino-6,8-difluoro-7-methyl-4-oxo-4H-1-benzopyran-2-yl)-2-fluorophenyl]-, (2S)-, dimethanesulfonate salt; L-Lysine,8-difluoro-7-methyl-4-oxo- 4H-1-benzopyran-2-yl)-2-fluorophenyl]amide, dimethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710464	.	.	.	.	544.5	C23H27F3N4O6S	196	817	.	37	5	12	7	"InChI=1S/C22H23F3N4O3.CH4O3S/c1-10-18(24)20(28)17-15(30)9-16(32-21(17)19(10)25)11-5-6-14(12(23)8-11)29-22(31)13(27)4-2-3-7-26;1-5(2,3)4/h5-6,8-9,13H,2-4,7,26-28H2,1H3,(H,29,31);1H3,(H,2,3,4)/t13-;/m0./s1"	CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)NC(=O)[C@H](CCCCN)N)F)N)F.CS(=O)(=O)O	MJVICFBYAVBBOA-ZOWNYOTGSA-N
DG59098	"2-[[5-[(4-Benzylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]ethanol"	399613	"NSC710510; CHEMBL1983981; NSC-710510; 2-[[5-[(4-benzylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]ethanol; NCI60_038894; 4-benzylthio-1-{[(1-(2-hydroxyethoxy)methyl)-1,2,3-triazol-5-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidine; 4-benzylthio-1-{[(1-(2-hydroxyethoxy)methyl)-1,3-triazol-5-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710510	.	.	.	.	397.5	C18H19N7O2S	129	471	1.1	28	1	8	9	"InChI=1S/C18H19N7O2S/c26-6-7-27-13-25-15(8-21-23-25)10-24-17-16(9-22-24)18(20-12-19-17)28-11-14-4-2-1-3-5-14/h1-5,8-9,12,26H,6-7,10-11,13H2"	C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3CC4=CN=NN4COCCO	UOJLLMJLQIYHCM-UHFFFAOYSA-N
DG59099	"(4-Amino-2-anilino-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone"	399616	"MLS000999758; (4-amino-2-anilino-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone; SMR000498897; NSC710525; CHEMBL557419; cid_399616; SCHEMBL1250849; BDBM69639; HMS1919C20; HMS2828P05; (4-amino-2-anilino-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone; ZINC1432662; CCG-94916; STK781048; ZINC01432662; AKOS001756407; MCULE-2887742715; NSC-710525; NCGC00142023-01; NCGC00142023-02; NCI60_038897; 2-Anilino-5-(4-methoxybenzoyl)thiazole-4-amine; AB00818561-06; BRD-K98848284-001-04-9; BRD-K98848284-001-06-4; (4-amino-2-anilino-5-thiazolyl)-(4-methoxyphenyl)methanone; (4-amino-2-anilino-thiazol-5-yl)-(4-methoxyphenyl)methanone; Methanone, [4-amino-2-(phenylamino)-5-thiazolyl](4-methoxyphenyl)-; (4-azanyl-2-phenylazanyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone; [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](4-methoxyphenyl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710525	.	.	.	.	325.4	C17H15N3O2S	106	395	4.7	23	2	6	5	"InChI=1S/C17H15N3O2S/c1-22-13-9-7-11(8-10-13)14(21)15-16(18)20-17(23-15)19-12-5-3-2-4-6-12/h2-10H,18H2,1H3,(H,19,20)"	COC1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC3=CC=CC=C3)N	MWRZPNGRLYXGKP-UHFFFAOYSA-N
DG59100	"[4-Amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl](4-chlorophenyl)methanone"	399617	"AM-807/14146364; [4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl](4-chlorophenyl)methanone; K00580a; CHEMBL557706; SCHEMBL4395515; ZINC1658551; NSC710526; STK781477; AKOS001754710; MCULE-2204398492; NSC-710526; NCGC00307641-01; NCI60_038898; AB01304444-01; AB01304444-03; {4-amino-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl}(4-chlorophenyl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710526	.	.	.	.	359.8	C17H14ClN3O2S	106	426	5.3	24	2	6	5	"InChI=1S/C17H14ClN3O2S/c1-23-13-8-6-12(7-9-13)20-17-21-16(19)15(24-17)14(22)10-2-4-11(18)5-3-10/h2-9H,19H2,1H3,(H,20,21)"	COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N	JHLAWDPVIJAQDB-UHFFFAOYSA-N
DG59101	"{(2z)-4-Amino-2-[(4-Methoxyphenyl)imino]-2,3-Dihydro-1,3-Thiazol-5-Yl}(4-Methoxyphenyl)methanone"	399618	"{(2z)-4-Amino-2-[(4-Methoxyphenyl)imino]-2,3-Dihydro-1,3-Thiazol-5-Yl}(4-Methoxyphenyl)methanone; MLS001198183; [4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone; {4-amino-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl}(4-methoxyphenyl)methanone; SMR000559380; AM-807/12426021; 727685-49-6; CHEMBL563377; cid_399618; SCHEMBL4397229; BDBM69812; HMS2886I05; K00576a; ZINC1432663; NSC710527; STK781051; ZINC01432663; AKOS001756613; DB07488; MCULE-9557431973; NSC-710527; NCI60_038899; BRD-K73940913-001-04-2; Q27096708; [4-amino-2-(p-anisidino)thiazol-5-yl]-(4-methoxyphenyl)methanone; [4-amino-2-(4-methoxyanilino)-5-thiazolyl]-(4-methoxyphenyl)methanone; [4-AMINO-2-(4-METHOXYANILINO)-1,3-THIAZOL-5-YL](4-METHOXYPHENYL)METHANONE; [4-azanyl-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710527	.	.	.	.	355.4	C18H17N3O3S	115	437	4.7	25	2	7	6	"InChI=1S/C18H17N3O3S/c1-23-13-7-3-11(4-8-13)15(22)16-17(19)21-18(25-16)20-12-5-9-14(24-2)10-6-12/h3-10H,19H2,1-2H3,(H,20,21)"	COC1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)OC)N	XQKUGFIWKSKCDL-UHFFFAOYSA-N
DG59102	"3-[4-Amino-2-(4-methoxyanilino)-1,3-thiazole-5-carbonyl]chromen-2-one"	399619	NSC710528; CHEMBL1977276; NSC-710528; NCI60_038900	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710528	.	.	.	.	393.4	C20H15N3O4S	132	635	4.9	28	2	8	5	"InChI=1S/C20H15N3O4S/c1-26-13-8-6-12(7-9-13)22-20-23-18(21)17(28-20)16(24)14-10-11-4-2-3-5-15(11)27-19(14)25/h2-10H,21H2,1H3,(H,22,23)"	COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC4=CC=CC=C4OC3=O)N	KZYYEALEHBKQQQ-UHFFFAOYSA-N
DG59103	"[4-Amino-2-(4-chloroanilino)-1,3-thiazol-5-yl](4-chlorophenyl)methanone"	399620	"107401-72-9; [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl](4-chlorophenyl)methanone; [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(4-chlorophenyl)methanone; 5-(4-chlorobenzoyl)-N2-(4-chlorophenyl)-1,3-thiazole-2,4-diamine; NSC710529; 4-aminothiazole, 2.3; Bionet1_002997; Oprea1_479049; SCHEMBL4398263; CHEMBL1986939; BDBM59197; HMS577B19; ZINC1398611; AKOS005101325; MCULE-3080913688; NSC-710529; NCI60_038901; 7N-742; 4-Chlorophenyl[2-[(4-chlorophenyl)amino]-4-aminothiazole-5-yl] ketone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710529	.	.	.	.	364.2	C16H11Cl2N3OS	96.2	412	6	23	2	5	4	"InChI=1S/C16H11Cl2N3OS/c17-10-3-1-9(2-4-10)13(22)14-15(19)21-16(23-14)20-12-7-5-11(18)6-8-12/h1-8H,19H2,(H,20,21)"	C1=CC(=CC=C1C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)Cl)N)Cl	IXHRXUGFSMBLCS-UHFFFAOYSA-N
DG59104	"[4-Amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone"	399621	NSC710530; CHEMBL563002; SCHEMBL4393604; NSC-710530; NCI60_038902	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710530	.	.	.	.	359.8	C17H14ClN3O2S	106	426	5.3	24	2	6	5	"InChI=1S/C17H14ClN3O2S/c1-23-13-8-2-10(3-9-13)14(22)15-16(19)21-17(24-15)20-12-6-4-11(18)5-7-12/h2-9H,19H2,1H3,(H,20,21)"	COC1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)Cl)N	RCEICRISYMHQBI-UHFFFAOYSA-N
DG59105	2-(4-Chlorophenylamino)-4-amino-5-(coumarin-3-ylcarbonyl)thiazole	399623	NSC710532; CHEMBL1996237; NSC-710532; NCI60_038903; 2-(4-Chlorophenylamino)-4-amino-5-(coumarin-3-ylcarbonyl)thiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710532	.	.	.	.	397.8	C19H12ClN3O3S	123	623	5.5	27	2	7	4	"InChI=1S/C19H12ClN3O3S/c20-11-5-7-12(8-6-11)22-19-23-17(21)16(27-19)15(24)13-9-10-3-1-2-4-14(10)26-18(13)25/h1-9H,21H2,(H,22,23)"	C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)C3=C(N=C(S3)NC4=CC=C(C=C4)Cl)N	MFAHVZJDXMXBKR-UHFFFAOYSA-N
DG59106	"[2-(Dimethylamino)-4-phenyl-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone"	399625	NSC710534; CHEMBL1999868; NSC-710534; NCI60_038905	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710534	.	.	.	.	338.4	C19H18N2O2S	70.7	418	4.7	24	0	5	5	"InChI=1S/C19H18N2O2S/c1-21(2)19-20-16(13-7-5-4-6-8-13)18(24-19)17(22)14-9-11-15(23-3)12-10-14/h4-12H,1-3H3"	CN(C)C1=NC(=C(S1)C(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3	KCCMDZFYGNNSQK-UHFFFAOYSA-N
DG59107	"2,6-Bis[2-(dimethylamino)ethyl]-1,2,6,7a-tetraaza-2H-benzo[fg]aceanthrylene-5,7(6H)-dione"	399629	"NSC710546; CHEMBL160101; NSC-710546; NCI60_038907; 2,6-Bis[2-(dimethylamino)ethyl]-1,2,6,7a-tetraaza-2H-benzo[fg]aceanthrylene-5,7(6H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710546	.	.	.	.	418.5	C23H26N6O2	64.9	714	1.8	31	0	5	6	"InChI=1S/C23H26N6O2/c1-25(2)11-13-27-22(30)16-9-10-18-19-20(24-28(18)14-12-26(3)4)15-7-5-6-8-17(15)29(21(16)19)23(27)31/h5-10H,11-14H2,1-4H3"	CN(C)CCN1C2=C3C4=C(C=C2)C(=O)N(C(=O)N4C5=CC=CC=C5C3=N1)CCN(C)C	MHKVVLLUWFCOIB-UHFFFAOYSA-N
DG59108	"10-Methoxy-2,6-bis[2-(dimethylamino)ethyl]-1,2,6,7a-tetraaza-2H-benzo[fg]aceanthrylene-5,7(6H)-dione"	399630	"NSC710547; CHEMBL161610; NSC-710547; NCI60_038908; 10-Methoxy-2,6-bis[2-(dimethylamino)ethyl]-1,2,6,7a-tetraaza-2H-benzo[fg]aceanthrylene-5,7(6H)-dione; 2H,4,5-mn]pyrimido[5,6,1-de]acridine- 5,7-dione, 11-methoxy-2,6-bis[2-(dimethylamino)ethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710547	.	.	.	.	448.5	C24H28N6O3	74.2	763	1.7	33	0	6	7	"InChI=1S/C24H28N6O3/c1-26(2)10-12-28-23(31)16-7-9-19-20-21(25-29(19)13-11-27(3)4)17-14-15(33-5)6-8-18(17)30(22(16)20)24(28)32/h6-9,14H,10-13H2,1-5H3"	CN(C)CCN1C2=C3C4=C(C=C2)C(=O)N(C(=O)N4C5=C(C3=N1)C=C(C=C5)OC)CCN(C)C	DIDMCOGVJBEHEZ-UHFFFAOYSA-N
DG59109	"10-Hydroxy-2,6-bis[2-(dimethylamino)ethyl]-1,2,6,7a-tetraaza-2H-benzo[fg]aceanthrylene-5,7(6H)-dione"	399631	"NSC710548; CHEMBL162848; NSC-710548; NCI60_038909; 10-Hydroxy-2,6-bis[2-(dimethylamino)ethyl]-1,2,6,7a-tetraaza-2H-benzo[fg]aceanthrylene-5,7(6H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710548	.	.	.	.	434.5	C23H26N6O3	85.2	747	1.4	32	1	6	6	"InChI=1S/C23H26N6O3/c1-25(2)9-11-27-22(31)15-6-8-18-19-20(24-28(18)12-10-26(3)4)16-13-14(30)5-7-17(16)29(21(15)19)23(27)32/h5-8,13,30H,9-12H2,1-4H3"	CN(C)CCN1C2=C3C4=C(C=C2)C(=O)N(C(=O)N4C5=C(C3=N1)C=C(C=C5)O)CCN(C)C	NVRGTXQKVXKXAN-UHFFFAOYSA-N
DG59110	"10-Nitro-2,6-bis[2-(dimethylamino)ethyl]-1,2,6,7a-tetraaza-2H-benzo[fg]aceanthrylene-5,7(6H)-dione"	399632	"NSC710549; CHEMBL349292; NSC-710549; NCI60_038910; 10-Nitro-2,6-bis[2-(dimethylamino)ethyl]-1,2,6,7a-tetraaza-2H-benzo[fg]aceanthrylene-5,7(6H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710549	.	.	.	.	463.5	C23H25N7O4	111	833	1.6	34	0	7	6	"InChI=1S/C23H25N7O4/c1-25(2)9-11-27-22(31)15-6-8-18-19-20(24-28(18)12-10-26(3)4)16-13-14(30(33)34)5-7-17(16)29(21(15)19)23(27)32/h5-8,13H,9-12H2,1-4H3"	CN(C)CCN1C2=C3C4=C(C=C2)C(=O)N(C(=O)N4C5=C(C3=N1)C=C(C=C5)[N+](=O)[O-])CCN(C)C	MZPDKSMUCXBFFA-UHFFFAOYSA-N
DG59111	"10-Amino-2,6-bis[2-(dimethylamino)ethyl]-1,2,6,7a-tetraaza-2H-benzo[fg]aceanthrylene-5,7(6H)-dione"	399633	"NSC710550; CHEMBL352210; NSC-710550; NCI60_038911; 10-Amino-2,6-bis[2-(dimethylamino)ethyl]-1,2,6,7a-tetraaza-2H-benzo[fg]aceanthrylene-5,7(6H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710550	.	.	.	.	433.5	C23H27N7O2	90.9	746	1.1	32	1	6	6	"InChI=1S/C23H27N7O2/c1-26(2)9-11-28-22(31)15-6-8-18-19-20(25-29(18)12-10-27(3)4)16-13-14(24)5-7-17(16)30(21(15)19)23(28)32/h5-8,13H,9-12,24H2,1-4H3"	CN(C)CCN1C2=C3C4=C(C=C2)C(=O)N(C(=O)N4C5=C(C3=N1)C=C(C=C5)N)CCN(C)C	RZGGHEGQYNEYLI-UHFFFAOYSA-N
DG59112	NSC710553	399636	"1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-methoxy-9,10-dihydroacridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-methoxy-9,10-dihydroacridine-4-carboxamide; NSC710553; CHEMBL2001179; NSC-710553; NCI60_038914"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710553	.	.	.	.	792	C45H61N9O4	135	1170	6	58	6	11	20	"InChI=1S/C45H61N9O4/c1-52(2)24-20-46-40-16-12-34(42-36(40)28-30-26-32(57-6)10-14-38(30)50-42)44(55)48-18-8-22-54(5)23-9-19-49-45(56)35-13-17-41(47-21-25-53(3)4)37-29-31-27-33(58-7)11-15-39(31)51-43(35)37/h10-17,26-27,46-47,50-51H,8-9,18-25,28-29H2,1-7H3,(H,48,55)(H,49,56)"	CN(C)CCNC1=C2CC3=C(C=CC(=C3)OC)NC2=C(C=C1)C(=O)NCCCN(C)CCCNC(=O)C4=C5C(=C(C=C4)NCCN(C)C)CC6=C(N5)C=CC(=C6)OC	CGUFLBUZZYSGMH-UHFFFAOYSA-N
DG59113	NSC710554	399637	N-[2-(dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]-9-oxo-10H-acridin-1-yl]amino]propyl-methylamino]propylamino]-9-oxo-10H-acridine-4-carboxamide; NSC710554; CHEMBL322928; NSC-710554; NCI60_038915	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710554	.	.	.	.	759.9	C43H53N9O4	150	1220	6.2	56	6	11	18	"InChI=1S/C43H53N9O4/c1-50(2)26-22-46-42(55)30-16-18-34(36-38(30)48-32-14-8-6-12-28(32)40(36)53)44-20-10-24-52(5)25-11-21-45-35-19-17-31(43(56)47-23-27-51(3)4)39-37(35)41(54)29-13-7-9-15-33(29)49-39/h6-9,12-19,44-45H,10-11,20-27H2,1-5H3,(H,46,55)(H,47,56)(H,48,53)(H,49,54)"	CN(C)CCNC(=O)C1=C2C(=C(C=C1)NCCCN(C)CCCNC3=C4C(=C(C=C3)C(=O)NCCN(C)C)NC5=CC=CC=C5C4=O)C(=O)C6=CC=CC=C6N2	QXCHSGGVBVDZLT-UHFFFAOYSA-N
DG59114	NSC710556	399638	"15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione; NSC710556; CHEMBL185043; NSC-710556; NCI60_038917"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710556	.	.	.	.	811.9	C45H49N9O6	149	1530	5.4	60	2	11	16	"InChI=1S/C45H49N9O6/c1-48(2)24-26-51-42(57)30-16-18-32(36-38(30)53(44(51)59)34-14-8-6-12-28(34)40(36)55)46-20-10-22-50(5)23-11-21-47-33-19-17-31-39-37(33)41(56)29-13-7-9-15-35(29)54(39)45(60)52(43(31)58)27-25-49(3)4/h6-9,12-19,46-47H,10-11,20-27H2,1-5H3"	CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCCN(C)CCCNC4=C5C6=C(C=C4)C(=O)N(C(=O)N6C7=CC=CC=C7C5=O)CCN(C)C)C(=O)C8=CC=CC=C8N3C1=O	FRNLBJJQLDHPJL-UHFFFAOYSA-N
DG59115	NSC710557	399639	"15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-methoxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-5-methoxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione; NSC710557; CHEMBL188103; NSC-710557; NCI60_038918"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710557	.	.	.	.	872	C47H53N9O8	168	1630	5.4	64	2	13	18	"InChI=1S/C47H53N9O8/c1-50(2)22-24-53-44(59)30-12-14-34(38-40(30)55(46(53)61)36-16-10-28(63-6)26-32(36)42(38)57)48-18-8-20-52(5)21-9-19-49-35-15-13-31-41-39(35)43(58)33-27-29(64-7)11-17-37(33)56(41)47(62)54(45(31)60)25-23-51(3)4/h10-17,26-27,48-49H,8-9,18-25H2,1-7H3"	CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCCN(C)CCCNC4=C5C6=C(C=C4)C(=O)N(C(=O)N6C7=C(C5=O)C=C(C=C7)OC)CCN(C)C)C(=O)C8=C(N3C1=O)C=CC(=C8)OC	SIPTZEGMNNDWNF-UHFFFAOYSA-N
DG59116	NSC710558	399640	"15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-nitro-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-5-nitro-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione; NSC710558; CHEMBL186004; NSC-710558; NCI60_038919"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710558	.	.	.	.	901.9	C45H47N11O10	241	1780	5.1	66	2	15	16	"InChI=1S/C45H47N11O10/c1-48(2)20-22-51-42(59)28-10-12-32(36-38(28)53(44(51)61)34-14-8-26(55(63)64)24-30(34)40(36)57)46-16-6-18-50(5)19-7-17-47-33-13-11-29-39-37(33)41(58)31-25-27(56(65)66)9-15-35(31)54(39)45(62)52(43(29)60)23-21-49(3)4/h8-15,24-25,46-47H,6-7,16-23H2,1-5H3"	CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCCN(C)CCCNC4=C5C6=C(C=C4)C(=O)N(C(=O)N6C7=C(C5=O)C=C(C=C7)[N+](=O)[O-])CCN(C)C)C(=O)C8=C(N3C1=O)C=CC(=C8)[N+](=O)[O-]	BKKYJBOYEAHDGS-UHFFFAOYSA-N
DG59117	NSC710559	399641	"15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione; NSC710559; CHEMBL187738; NSC-710559; NCI60_038920"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710559	.	.	.	.	843.9	C45H49N9O8	190	1600	4.7	62	4	13	16	"InChI=1S/C45H49N9O8/c1-48(2)20-22-51-42(59)28-10-12-32(36-38(28)53(44(51)61)34-14-8-26(55)24-30(34)40(36)57)46-16-6-18-50(5)19-7-17-47-33-13-11-29-39-37(33)41(58)31-25-27(56)9-15-35(31)54(39)45(62)52(43(29)60)23-21-49(3)4/h8-15,24-25,46-47,55-56H,6-7,16-23H2,1-5H3"	CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCCN(C)CCCNC4=C5C6=C(C=C4)C(=O)N(C(=O)N6C7=C(C5=O)C=C(C=C7)O)CCN(C)C)C(=O)C8=C(N3C1=O)C=CC(=C8)O	TYSQOYAQKRRQCQ-UHFFFAOYSA-N
DG59118	NSC710560	399642	"N-[2-(dimethylamino)ethyl]-1-[3-[3-[[15-[2-(dimethylamino)ethyl]-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-9-oxo-10H-acridine-4-carboxamide; NSC710560; CHEMBL1189874; NSC-710560; NCI60_038921; 4-Acridinecarboxamide,10-dihydro-N-[2-(dimethylamino)ethyl]- 1-[[3-[(methyl)[3-[[2-[2-(dimethylamino)ethyl]- 1,3,7-trioxo-1H,7H-pyrimido[5,6,1-de]acridin- 6-yl]amino]propyl]amino]propyl]amino]-9-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710560	.	.	.	.	785.9	C44H51N9O5	150	1480	5.8	58	4	11	17	"InChI=1S/C44H51N9O5/c1-49(2)25-22-47-42(56)30-16-18-33(36-38(30)48-32-14-8-6-12-28(32)40(36)54)45-20-10-23-51(5)24-11-21-46-34-19-17-31-39-37(34)41(55)29-13-7-9-15-35(29)53(39)44(58)52(43(31)57)27-26-50(3)4/h6-9,12-19,45-46H,10-11,20-27H2,1-5H3,(H,47,56)(H,48,54)"	CN(C)CCNC(=O)C1=C2C(=C(C=C1)NCCCN(C)CCCNC3=C4C5=C(C=C3)C(=O)N(C(=O)N5C6=CC=CC=C6C4=O)CCN(C)C)C(=O)C7=CC=CC=C7N2	FRXXLEVKKOPXAL-UHFFFAOYSA-N
DG59119	"4-[(4-amino-5-oxo-1,2,4-triazin-3-yl)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide"	399667	NSC710585; Oprea1_367604; CHEMBL1984352; NSC-710585; NCI60_038933	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710585	.	.	.	.	388.4	C15H16N8O3S	163	701	0.1	27	3	9	5	"InChI=1S/C15H16N8O3S/c1-9-7-10(2)19-14(18-9)22-27(25,26)12-5-3-11(4-6-12)20-15-21-17-8-13(24)23(15)16/h3-8H,16H2,1-2H3,(H,20,21)(H,18,19,22)"	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NN=CC(=O)N3N)C	JKMPHQOEQZIUEO-UHFFFAOYSA-N
DG59120	"N,N-dimethyl-4,6-bis[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-amine;hydrochloride"	399691	NSC710607; CHEMBL1985702; NSC-710607	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710607	.	.	.	.	477	C25H29ClN8	90.7	680	.	34	3	6	5	"InChI=1S/C25H28N8.ClH/c1-15-13-26-21(28-15)17-7-5-9-19(11-17)23-30-24(32-25(31-23)33(3)4)20-10-6-8-18(12-20)22-27-14-16(2)29-22;/h5-12,15-16H,13-14H2,1-4H3,(H,26,28)(H,27,29);1H"	CC1CN=C(N1)C2=CC=CC(=C2)C3=NC(=NC(=N3)N(C)C)C4=CC(=CC=C4)C5=NCC(N5)C.Cl	CXTPCISAJLQRQI-UHFFFAOYSA-N
DG59121	"N,N-dimethyl-4,6-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-amine;hydrochloride"	399693	NSC710608; CHEMBL1981283; NSC-710608	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710608	.	.	.	.	477	C25H29ClN8	90.7	664	.	34	3	6	5	"InChI=1S/C25H28N8.ClH/c1-15-13-26-21(28-15)17-5-9-19(10-6-17)23-30-24(32-25(31-23)33(3)4)20-11-7-18(8-12-20)22-27-14-16(2)29-22;/h5-12,15-16H,13-14H2,1-4H3,(H,26,28)(H,27,29);1H"	CC1CN=C(N1)C2=CC=C(C=C2)C3=NC(=NC(=N3)N(C)C)C4=CC=C(C=C4)C5=NCC(N5)C.Cl	DOLSQHJGXKGDCZ-UHFFFAOYSA-N
DG59122	"2,5-Dimethyl-3,4-dibromothiophene 1-oxide"	399696	"NSC710614; CHEMBL1981914; NSC-710614; NCI60_038945; 2,5-Dimethyl-3,4-dibromothiophene 1-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710614	.	.	.	.	285.99	C6H6Br2OS	36.3	239	2.2	10	0	2	0	InChI=1S/C6H6Br2OS/c1-3-5(7)6(8)4(2)10(3)9/h1-2H3	CC1=C(C(=C(S1=O)C)Br)Br	ALCQYXZUNIJYFT-UHFFFAOYSA-N
DG59123	2-bromo-N-[2-(1H-indol-3-yl)ethyl]acetamide	399698	"CHEMBL290406; N-Bromoacetyltryptamine; bromoacetyltryptamine; AANAT Inhibitor, 1; 2-bromo-N-(2-indol-3-yl-ethyl)-acetamide; 2-bromo-N-[2-(1H-indol-3-yl)ethyl]acetamide; SCHEMBL6424908; CHEBI:125542; BDBM50282747; NSC710616; AKOS012989600; NSC-710616; 91720-86-4; NCI60_038946; N-[2-(1H-Indole-3-yl)ethyl]bromoacetamide; 2-Bromo-N-[2-(1H-indol-3-yl)-ethyl]-acetamide; BRD-K35553576-001-01-4; Q27216158"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710616	.	.	.	.	281.15	C12H13BrN2O	44.9	247	2.6	16	2	1	4	"InChI=1S/C12H13BrN2O/c13-7-12(16)14-6-5-9-8-15-11-4-2-1-3-10(9)11/h1-4,8,15H,5-7H2,(H,14,16)"	C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CBr	TZRUZONGYSVOGE-UHFFFAOYSA-N
DG59124	1-Hydroxy-2-methoxyanthracene-4-propanoic acid	399715	NSC710746; CHEMBL2004966; ZINC1658611; NSC-710746; NCI60_038953; 1-Hydroxy-2-methoxyanthracene-4-propanoic acid; 3-(4-Hydroxy-3-methoxy-anthracen-1-yl)-propionic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710746	.	.	.	.	296.3	C18H16O4	66.8	397	3.5	22	2	4	4	"InChI=1S/C18H16O4/c1-22-16-10-13(6-7-17(19)20)14-8-11-4-2-3-5-12(11)9-15(14)18(16)21/h2-5,8-10,21H,6-7H2,1H3,(H,19,20)"	COC1=C(C2=CC3=CC=CC=C3C=C2C(=C1)CCC(=O)O)O	IUTRRFLRZUNJIL-UHFFFAOYSA-N
DG59125	"3-Methyl-6-(5-nitrofuran-2-yl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole"	399719	"NSC710765; CHEMBL2006906; NSC-710765; NCI60_038957; 3-Methyl-6-(5-nitrofuran-2-yl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710765	.	.	.	.	251.22	C8H5N5O3S	130	327	1.6	17	0	7	1	"InChI=1S/C8H5N5O3S/c1-4-9-10-8-12(4)11-7(17-8)5-2-3-6(16-5)13(14)15/h2-3H,1H3"	CC1=NN=C2N1N=C(S2)C3=CC=C(O3)[N+](=O)[O-]	NZMWNXYWYUPLMS-UHFFFAOYSA-N
DG59126	"(5R)-3-(2,4-dichloro-5-fluorophenyl)-5-[5-(4-nitrophenyl)furan-2-yl]-4,5-dihydro-1H-pyrazole"	399722	NSC710768; CHEMBL1981370; NSC-710768; NCI60_038959	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710768	.	.	.	.	420.2	C19H12Cl2FN3O3	83.4	612	5.3	28	1	6	3	"InChI=1S/C19H12Cl2FN3O3/c20-13-8-14(21)15(22)7-12(13)16-9-17(24-23-16)19-6-5-18(28-19)10-1-3-11(4-2-10)25(26)27/h1-8,17,24H,9H2/t17-/m1/s1"	C1[C@@H](NN=C1C2=CC(=C(C=C2Cl)Cl)F)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]	PRSRMBIOUHWFMP-QGZVFWFLSA-N
DG59127	"(5R)-3-(4-chlorophenyl)-5-[5-(3-nitrophenyl)furan-2-yl]-4,5-dihydro-1H-pyrazole"	399724	NSC710770; CHEMBL1986053; NSC-710770; NCI60_038960	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710770	.	.	.	.	367.8	C19H14ClN3O3	83.4	545	4.5	26	1	5	3	"InChI=1S/C19H14ClN3O3/c20-14-6-4-12(5-7-14)16-11-17(22-21-16)19-9-8-18(26-19)13-2-1-3-15(10-13)23(24)25/h1-10,17,22H,11H2/t17-/m1/s1"	C1[C@@H](NN=C1C2=CC=C(C=C2)Cl)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]	YSCLRLYWQWXUPT-QGZVFWFLSA-N
DG59128	Benzyl 3-[4-bis(2-methylpropylamino)phosphoryloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate	399740	NSC710835; CHEMBL1979732; NSC-710835; NCI60_038967	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710835	.	.	.	.	595.7	C32H42N3O6P	115	820	6.4	42	3	8	18	"InChI=1S/C32H42N3O6P/c1-24(2)20-33-42(38,34-21-25(3)4)41-29-17-15-26(16-18-29)19-30(31(36)39-22-27-11-7-5-8-12-27)35-32(37)40-23-28-13-9-6-10-14-28/h5-18,24-25,30H,19-23H2,1-4H3,(H,35,37)(H2,33,34,38)"	CC(C)CNP(=O)(NCC(C)C)OC1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3	LTESKOSPRGXKCU-UHFFFAOYSA-N
DG59129	Ethyl 3-[[1-(2-ethoxy-2-oxoethyl)benzotriazol-5-yl]amino]quinoxaline-2-carboxylate	399754	NSC710848; CHEMBL1988919; NSC-710848; NCI60_038972	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710848	.	.	.	.	420.4	C21H20N6O4	121	637	3.8	31	1	9	9	"InChI=1S/C21H20N6O4/c1-3-30-18(28)12-27-17-10-9-13(11-16(17)25-26-27)22-20-19(21(29)31-4-2)23-14-7-5-6-8-15(14)24-20/h5-11H,3-4,12H2,1-2H3,(H,22,24)"	CCOC(=O)CN1C2=C(C=C(C=C2)NC3=NC4=CC=CC=C4N=C3C(=O)OCC)N=N1	AODCDQCFSSOWRS-UHFFFAOYSA-N
DG59130	Ethyl 2-[6-[(3-phenylquinoxalin-2-yl)amino]benzotriazol-1-yl]acetate	399758	NSC710852; CHEMBL1982216; NSC-710852; NCI60_038975	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710852	.	.	.	.	424.5	C24H20N6O2	94.8	630	4.3	32	1	7	7	"InChI=1S/C24H20N6O2/c1-2-32-22(31)15-30-21-14-17(12-13-20(21)28-29-30)25-24-23(16-8-4-3-5-9-16)26-18-10-6-7-11-19(18)27-24/h3-14H,2,15H2,1H3,(H,25,27)"	CCOC(=O)CN1C2=C(C=CC(=C2)NC3=NC4=CC=CC=C4N=C3C5=CC=CC=C5)N=N1	ZQQKJLQFXWRZOV-UHFFFAOYSA-N
DG59131	"5-Cyclohexyl-3-prop-2-enyl-1,3,5-thiadiazinane-2-thione"	399773	NSC710868; CHEMBL1968032; NSC-710868; NCI60_038985	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710868	.	.	.	.	256.399	C12H20N2S2	63.9	262	3.7	16	0	3	3	"InChI=1S/C12H20N2S2/c1-2-8-13-9-14(10-16-12(13)15)11-6-4-3-5-7-11/h2,11H,1,3-10H2"	C=CCN1CN(CSC1=S)C2CCCCC2	KSCVKHUKEGAULY-UHFFFAOYSA-N
DG59132	"5-(Tert-butyl)-3-(furan-2-ylmethyl)-1,3,5-thiadiazinane-2-thione"	399774	"NSC710869; Oprea1_811688; CHEMBL1969741; HMS1649N12; AKOS024582689; MCULE-5466917952; NSC-710869; NCI60_038986; SR-01000571329; SR-01000571329-1; F0547-0312; 5-(tert-butyl)-3-(furan-2-ylmethyl)-1,3,5-thiadiazinane-2-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710869	.	.	.	.	270.4	C12H18N2OS2	77	291	2.9	17	0	4	3	"InChI=1S/C12H18N2OS2/c1-12(2,3)14-8-13(11(16)17-9-14)7-10-5-4-6-15-10/h4-6H,7-9H2,1-3H3"	CC(C)(C)N1CN(C(=S)SC1)CC2=CC=CO2	ZWCGEVMKYKXCAS-UHFFFAOYSA-N
DG59133	"3-(4-Bromophenyl)-5-(furan-2-ylmethyl)-1,3,5-thiadiazinane-2-thione"	399775	NSC710870; CHEMBL1972581; NSC-710870; NCI60_038988	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710870	.	.	.	.	369.3	C14H13BrN2OS2	77	350	4.1	20	0	4	3	"InChI=1S/C14H13BrN2OS2/c15-11-3-5-12(6-4-11)17-9-16(10-20-14(17)19)8-13-2-1-7-18-13/h1-7H,8-10H2"	C1N(CSC(=S)N1C2=CC=C(C=C2)Br)CC3=CC=CO3	KOLDFVMDJNKWBQ-UHFFFAOYSA-N
DG59134	"2-[5'-Cyanospiro[acridine-9(10H),4'-thiazolidine]-2'-ylidene]malonic acid diethyl ester"	399777	"NSC710872; CHEMBL1983221; NSC-710872; NCI60_038990; 2-[5'-Cyanospiro[acridine-9(10H),4'-thiazolidine]-2'-ylidene]malonic acid diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710872	.	.	.	.	435.5	C23H21N3O4S	126	762	4.1	31	2	8	6	"InChI=1S/C23H21N3O4S/c1-3-29-21(27)19(22(28)30-4-2)20-26-23(18(13-24)31-20)14-9-5-7-11-16(14)25-17-12-8-6-10-15(17)23/h5-12,18,25-26H,3-4H2,1-2H3"	CCOC(=O)C(=C1NC2(C(S1)C#N)C3=CC=CC=C3NC4=CC=CC=C24)C(=O)OCC	NIOHIHRHOAEMPX-UHFFFAOYSA-N
DG59135	"3-Bromo-4-chloro-4,5-dihydrocyclopenta[c]thiophen-6-one"	399786	NSC710881; CHEMBL1980738; NSC-710881; NCI60_038995	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710881	.	.	.	.	251.53	C7H4BrClOS	45.3	199	2.5	11	0	2	0	"InChI=1S/C7H4BrClOS/c8-7-6-3(2-11-7)5(10)1-4(6)9/h2,4H,1H2"	C1C(C2=C(SC=C2C1=O)Br)Cl	OXHYCYMFHGMELN-UHFFFAOYSA-N
DG59136	"2-(3-Isoapropoxyphenyl)-3-phenylamino-2H-pyrido[4,2,4-thiadiazine 1,1-dioxide"	399798	"NSC710897; CHEMBL1976363; NSC-710897; NCI60_039005; 2-(3-Isoapropoxyphenyl)-3-phenylamino-2H-pyrido[4,2,4-thiadiazine 1,1-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710897	.	.	.	.	408.5	C21H20N4O3S	92.3	685	3.2	29	1	5	5	"InChI=1S/C21H20N4O3S/c1-15(2)28-18-10-6-9-17(13-18)25-21(23-16-7-4-3-5-8-16)24-19-11-12-22-14-20(19)29(25,26)27/h3-15H,1-2H3,(H,23,24)"	CC(C)OC1=CC=CC(=C1)N2C(=NC3=C(S2(=O)=O)C=NC=C3)NC4=CC=CC=C4	BMQQODUXTIJXJO-UHFFFAOYSA-N
DG59137	methyl N-[6-(benzotriazol-1-ylsulfonyl)-1H-benzimidazol-2-yl]carbamate	399811	NSC710909; CHEMBL1984969; NSC-710909; NCI60_039014	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710909	.	.	.	.	372.4	C15H12N6O4S	140	641	1.8	26	2	7	4	"InChI=1S/C15H12N6O4S/c1-25-15(22)18-14-16-10-7-6-9(8-12(10)17-14)26(23,24)21-13-5-3-2-4-11(13)19-20-21/h2-8H,1H3,(H2,16,17,18,22)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)N3C4=CC=CC=C4N=N3	JGQGFKZNWHATGU-UHFFFAOYSA-N
DG59138	methyl N-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)carbamate	399816	NSC710914; CHEMBL2007326; NSC-710914; NCI60_039017	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710914	.	.	.	.	340.36	C13H16N4O5S	122	531	0.3	23	2	7	4	"InChI=1S/C13H16N4O5S/c1-21-13(18)16-12-14-10-3-2-9(8-11(10)15-12)23(19,20)17-4-6-22-7-5-17/h2-3,8H,4-7H2,1H3,(H2,14,15,16,18)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)N3CCOCC3	ZZJTXZJQTQRHDA-UHFFFAOYSA-N
DG59139	NSC710959	399824	(4-Nitrophenyl)sulfanylimino-[3-[[(4-nitrophenyl)sulfanylimino-lambda4-sulfanylidene]amino]sulfanylphenyl]sulfanylimino-lambda4-sulfane; NSC710959; CHEMBL1990419; NSC-710959; NCI60_039022	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710959	.	.	.	.	568.7	C18H12N6O4S6	244	734	9.2	34	0	14	8	InChI=1S/C18H12N6O4S6/c25-23(26)13-4-8-15(9-5-13)29-19-33-21-31-17-2-1-3-18(12-17)32-22-34-20-30-16-10-6-14(7-11-16)24(27)28/h1-12H	C1=CC(=CC(=C1)SN=S=NSC2=CC=C(C=C2)[N+](=O)[O-])SN=S=NSC3=CC=C(C=C3)[N+](=O)[O-]	HYVYXFFWUVAIBD-UHFFFAOYSA-N
DG59140	1-Ethyl-3-[4-chloro-alpha-(1H-imidazol-1-yl)benzyl]-5-bromo-1H-indole	399827	NSC710962; CHEMBL1997104; NSC-710962; NCI60_039023; 1-Ethyl-3-[4-chloro-alpha-(1H-imidazol-1-yl)benzyl]-5-bromo-1H-indole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710962	.	.	.	.	414.7	C20H17BrClN3	22.8	443	5	25	0	1	4	"InChI=1S/C20H17BrClN3/c1-2-24-12-18(17-11-15(21)5-8-19(17)24)20(25-10-9-23-13-25)14-3-6-16(22)7-4-14/h3-13,20H,2H2,1H3"	CCN1C=C(C2=C1C=CC(=C2)Br)C(C3=CC=C(C=C3)Cl)N4C=CN=C4	ZUWZMYGOOTZWBS-UHFFFAOYSA-N
DG59141	diethyl 2-[[3-(1H-indol-3-yl)-1H-indol-2-yl]methylidene]propanedioate	399830	NSC710966; CHEMBL1973986; NSC-710966; NCI60_039024	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710966	.	.	.	.	402.4	C24H22N2O4	84.2	644	4.9	30	2	4	8	"InChI=1S/C24H22N2O4/c1-3-29-23(27)17(24(28)30-4-2)13-21-22(16-10-6-8-12-20(16)26-21)18-14-25-19-11-7-5-9-15(18)19/h5-14,25-26H,3-4H2,1-2H3"	CCOC(=O)C(=CC1=C(C2=CC=CC=C2N1)C3=CNC4=CC=CC=C43)C(=O)OCC	YBYIJWFWHGSKBC-UHFFFAOYSA-N
DG59142	"2-(2,4-Dimethoxyphenyl)-6-methyl-1,3-benzoxazole"	399832	"2-(2,4-dimethoxyphenyl)-6-methyl-1,3-benzoxazole; NSC710968; CHEMBL451667; NSC-710968; NCI60_039025; 2-(2,4-Dimethoxyphenyl)-6-methylbenzoxazole; 6-Methyl-2-(2,4-dimethoxyphenyl)benzoxazoles"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710968	.	.	.	.	269.29	C16H15NO3	44.5	325	3.9	20	0	4	3	"InChI=1S/C16H15NO3/c1-10-4-7-13-15(8-10)20-16(17-13)12-6-5-11(18-2)9-14(12)19-3/h4-9H,1-3H3"	CC1=CC2=C(C=C1)N=C(O2)C3=C(C=C(C=C3)OC)OC	QZRDPKKWEHNWFZ-UHFFFAOYSA-N
DG59143	"Carbonotrithioic acid,3,5,6-tetrachloro-4-pyridinyl-, 1-methylethyl ester"	399833	"NSC710969; CHEMBL2005796; NSC-710969; NCI60_039026; Carbonotrithioic acid,3,5,6-tetrachloro-4-pyridinyl-, 1-methylethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710969	.	.	.	.	367.2	C9H7Cl4NS3	95.6	265	6.7	17	0	4	4	"InChI=1S/C9H7Cl4NS3/c1-3(2)16-9(15)17-6-4(10)7(12)14-8(13)5(6)11/h3H,1-2H3"	CC(C)SC(=S)SC1=C(C(=NC(=C1Cl)Cl)Cl)Cl	HNSSCORUAIQCTQ-UHFFFAOYSA-N
DG59144	"2,2-Difluoro-1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol"	399835	NSC710971; CHEMBL1991657; NSC-710971; NCI60_039027	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710971	.	.	.	.	320.27	C16H11F3N2O2	59.2	386	3.2	23	1	7	4	"InChI=1S/C16H11F3N2O2/c17-12-8-6-10(7-9-12)13(22)16(18,19)15-20-14(21-23-15)11-4-2-1-3-5-11/h1-9,13,22H"	C1=CC=C(C=C1)C2=NOC(=N2)C(C(C3=CC=C(C=C3)F)O)(F)F	URAMRIDZFBSLEW-UHFFFAOYSA-N
DG59145	"N-benzyl-2,2,2-trifluoro-N-[(2S,3S)-2-(fluoromethyl)-2-hydroxy-3-(4-methylphenyl)sulfanylbutyl]acetamide"	399836	NSC710972; CHEMBL1965697; NSC-710972; NCI60_039028	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710972	.	.	.	.	429.5	C21H23F4NO2S	65.8	519	4.9	29	1	7	8	"InChI=1S/C21H23F4NO2S/c1-15-8-10-18(11-9-15)29-16(2)20(28,13-22)14-26(19(27)21(23,24)25)12-17-6-4-3-5-7-17/h3-11,16,28H,12-14H2,1-2H3/t16-,20+/m0/s1"	CC1=CC=C(C=C1)S[C@@H](C)[C@](CN(CC2=CC=CC=C2)C(=O)C(F)(F)F)(CF)O	FEPXLINFDLCAMN-OXJNMPFZSA-N
DG59146	[2-Methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(6-methylnaphthalen-1-yl)methanone;hydrochloride	399882	NSC711021; CHEMBL1965107; NSC-711021	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711021	.	.	.	.	449	C27H29ClN2O2	34.5	618	.	32	1	3	5	"InChI=1S/C27H28N2O2.ClH/c1-19-10-11-22-21(18-19)6-5-8-23(22)27(30)26-20(2)29(25-9-4-3-7-24(25)26)13-12-28-14-16-31-17-15-28;/h3-11,18H,12-17H2,1-2H3;1H"	CC1=CC2=C(C=C1)C(=CC=C2)C(=O)C3=C(N(C4=CC=CC=C43)CCN5CCOCC5)C.Cl	ZMSLFQFOUJNMDI-UHFFFAOYSA-N
DG59147	(6-Methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone	399885	NSC711023; CHEMBL1995374; NSC-711023; NCI60_039043	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711023	.	.	.	.	428.5	C27H28N2O3	43.7	636	4.6	32	0	4	6	"InChI=1S/C27H28N2O3/c1-19-26(27(30)23-8-5-6-20-18-21(31-2)10-11-22(20)23)24-7-3-4-9-25(24)29(19)13-12-28-14-16-32-17-15-28/h3-11,18H,12-17H2,1-2H3"	CC1=C(C2=CC=CC=C2N1CCN3CCOCC3)C(=O)C4=CC=CC5=C4C=CC(=C5)OC	BKVFJBPECQOFHC-UHFFFAOYSA-N
DG59148	(6-Hydroxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone	399886	NSC711024; CHEMBL1988988; NSC-711024; NCI60_039044	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711024	.	.	.	.	400.5	C25H24N2O3	54.7	593	3.8	30	1	4	5	"InChI=1S/C25H24N2O3/c28-19-8-9-20-18(16-19)4-3-6-22(20)25(29)23-17-27(24-7-2-1-5-21(23)24)11-10-26-12-14-30-15-13-26/h1-9,16-17,28H,10-15H2"	C1COCCN1CCN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC5=C4C=CC(=C5)O	SKGUHEIQVWXDGI-UHFFFAOYSA-N
DG59149	"(12bR)-4a-hydroxy-9-methoxy-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one"	399905	NSC711041; CHEMBL1984314; NSC-711041; NCI60_039046	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711041	.	.	.	.	299.32	C17H17NO4	67.8	563	0.7	22	2	5	1	"InChI=1S/C17H17NO4/c1-21-11-3-2-9-8-12-17(20)5-4-10(19)15-16(17,6-7-18-12)13(9)14(11)22-15/h2-5,12,15,18,20H,6-8H2,1H3/t12 ,15 ,16-,17 /m1/s1"	COC1=C2C3=C(CC4C5([C@@]3(CCN4)C(O2)C(=O)C=C5)O)C=C1	WCEICHOCRFRVDG-YFVDEALNSA-N
DG59150	NSC711083	399931	"5-Methylsulfanyl-7-morpholin-4-yl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol; NSC711083; Oprea1_415978; CHEMBL2001233; NSC-711083; NCI60_039064"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711083	.	.	.	.	387.5	C17H17N5O2S2	127	512	2.5	26	1	8	2	"InChI=1S/C17H17N5O2S2/c1-25-16-19-13(21-6-8-24-9-7-21)12-14(20-16)26-17-18-10-4-2-3-5-11(10)22(17)15(12)23/h2-5,15,23H,6-9H2,1H3"	CSC1=NC(=C2C(N3C4=CC=CC=C4N=C3SC2=N1)O)N5CCOCC5	NVGPQUGITMKGOU-UHFFFAOYSA-N
DG59151	NSC711087	399935	"5-Methylsulfanyl-7-(propan-2-ylamino)-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol; NSC711087; CHEMBL1971469; NSC-711087; NCI60_039065"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711087	.	.	.	.	359.5	C16H17N5OS2	127	456	3.5	24	2	7	3	"InChI=1S/C16H17N5OS2/c1-8(2)17-12-11-13(20-15(19-12)23-3)24-16-18-9-6-4-5-7-10(9)21(16)14(11)22/h4-8,14,22H,1-3H3,(H,17,19,20)"	CC(C)NC1=C2C(N3C4=CC=CC=C4N=C3SC2=NC(=N1)SC)O	OWOZJUCMIJUISZ-UHFFFAOYSA-N
DG59152	"7-Methoxy-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol"	399936	NSC711088; CHEMBL1989514; NSC-711088; NCI60_039066	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711088	.	.	.	.	332.4	C14H12N4O2S2	124	418	2.7	22	1	7	2	"InChI=1S/C14H12N4O2S2/c1-20-10-9-11(17-13(16-10)21-2)22-14-15-7-5-3-4-6-8(7)18(14)12(9)19/h3-6,12,19H,1-2H3"	COC1=C2C(N3C4=CC=CC=C4N=C3SC2=NC(=N1)SC)O	CZSXMGDPBCWTFJ-UHFFFAOYSA-N
DG59153	"N-Isopropyl-6-(methylthio)-1,2-[1,3]butadieno-3,5,7,10,10a-pentaaza-4-thiabenzo[f]azulene-8-amine"	399937	"NSC711089; CHEMBL1971931; NSC-711089; NCI60_039067; N-Isopropyl-6-(methylthio)-1,2-[1,3]butadieno-3,5,7,10,10a-pentaaza-4-thiabenzo[f]azulene-8-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711089	.	.	.	.	356.5	C16H16N6S2	119	476	4.4	24	1	7	3	"InChI=1S/C16H16N6S2/c1-9(2)18-13-10-8-17-22-12-7-5-4-6-11(12)19-16(22)24-14(10)21-15(20-13)23-3/h4-9H,1-3H3,(H,18,20,21)"	CC(C)NC1=C2C=NN3C4=CC=CC=C4N=C3SC2=NC(=N1)SC	SOEYDQZQKFYYRB-UHFFFAOYSA-N
DG59154	"N-Cyclopropyl-6-(methylthio)-1,2-[1,3]butadieno-3,5,7,10,10a-pentaaza-4-thiabenzo[f]azulene-8-amine"	399938	"NSC711090; CHEMBL2007560; NSC-711090; NCI60_039068; N-Cyclopropyl-6-(methylthio)-1,2-[1,3]butadieno-3,5,7,10,10a-pentaaza-4-thiabenzo[f]azulene-8-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711090	.	.	.	.	354.5	C16H14N6S2	119	501	4.4	24	1	7	3	"InChI=1S/C16H14N6S2/c1-23-15-20-13(18-9-6-7-9)10-8-17-22-12-5-3-2-4-11(12)19-16(22)24-14(10)21-15/h2-5,8-9H,6-7H2,1H3,(H,18,20,21)"	CSC1=NC(=C2C=NN3C4=CC=CC=C4N=C3SC2=N1)NC5CC5	SBCSGWXRKROGFQ-UHFFFAOYSA-N
DG59155	"10-Chloro-12-methylsulfanyl-2-thia-4,6,7,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-8-ol"	399940	NSC711092; CHEMBL2001537; NSC-711092; NCI60_039069	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711092	.	.	.	.	287.8	C8H6ClN5OS2	127	301	1.9	17	1	7	1	"InChI=1S/C8H6ClN5OS2/c1-16-7-12-4(9)3-5(13-7)17-8-10-2-11-14(8)6(3)15/h2,6,15H,1H3"	CSC1=NC2=C(C(N3C(=NC=N3)S2)O)C(=N1)Cl	DHTXBVIIGVGYHF-UHFFFAOYSA-N
DG59156	NSC711095	399943	"6-(3-Fluorophenyl)-4-(methylthio)-8-oxo-8,9-dihydro-7H-2-thia-3,5,6,9-tetraaza-6H-benzo[cd]azulene-1-carboxylic acid ethyl ester; NSC711095; CHEMBL2000363; ZINC643188; NSC-711095; NCI60_039070; 6-(3-Fluorophenyl)-4-(methylthio)-8-oxo-8,9-dihydro-7H-2-thia-3,5,6,9-tetraaza-6H-benzo[cd]azulene-1-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711095	.	.	.	.	418.5	C18H15FN4O3S2	138	615	4	28	1	9	5	"InChI=1S/C18H15FN4O3S2/c1-3-26-17(25)14-13-12-15(21-18(27-2)22-16(12)28-14)23(8-11(24)20-13)10-6-4-5-9(19)7-10/h4-7H,3,8H2,1-2H3,(H,20,24)"	CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CC(=O)N2)C4=CC(=CC=C4)F	PHRSPOOORSDVLY-UHFFFAOYSA-N
DG59157	"Ethyl 5-amino-4-(3,4-dimethoxyanilino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate"	399947	NSC711099; CHEMBL2002711; NSC-711099; NCI60_039072	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711099	.	.	.	.	420.5	C18H20N4O4S2	162	532	4.6	28	2	10	8	"InChI=1S/C18H20N4O4S2/c1-5-26-17(23)14-13(19)12-15(21-18(27-4)22-16(12)28-14)20-9-6-7-10(24-2)11(8-9)25-3/h6-8H,5,19H2,1-4H3,(H,20,21,22)"	CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC(=C(C=C3)OC)OC)N	VHAXOPHGDIGCBF-UHFFFAOYSA-N
DG59158	"Ethyl 4-(3,4-dimethoxyanilino)-5-[(3-ethoxy-3-oxopropanoyl)amino]-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate"	399948	NSC711100; CHEMBL1980202; NSC-711100; NCI60_039073	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711100	.	.	.	.	534.6	C23H26N4O7S2	192	764	4.9	36	2	12	13	"InChI=1S/C23H26N4O7S2/c1-6-33-16(29)11-15(28)25-18-17-20(24-12-8-9-13(31-3)14(10-12)32-4)26-23(35-5)27-21(17)36-19(18)22(30)34-7-2/h8-10H,6-7,11H2,1-5H3,(H,25,28)(H,24,26,27)"	CCOC(=O)CC(=O)NC1=C(SC2=NC(=NC(=C12)NC3=CC(=C(C=C3)OC)OC)SC)C(=O)OCC	RARREQRFWZJNJV-UHFFFAOYSA-N
DG59159	NSC711102	399950	"Ethyl 7-(1,3-benzodioxol-5-yl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate; NSC711102; CHEMBL1997035; NSC-711102; NCI60_039074"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711102	.	.	.	.	416.5	C18H16N4O4S2	139	602	4.6	28	1	10	5	"InChI=1S/C18H16N4O4S2/c1-3-24-17(23)14-13-12-15(20-18(27-2)21-16(12)28-14)22(7-19-13)9-4-5-10-11(6-9)26-8-25-10/h4-6,19H,3,7-8H2,1-2H3"	CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CN2)C4=CC5=C(C=C4)OCO5	FCYXNMTZQWYZTE-UHFFFAOYSA-N
DG59160	NSC711103	399951	"ethyl 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate; NSC711103; CHEMBL1969579; NSC-711103; NCI60_039075"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711103	.	.	.	.	444.5	C20H20N4O4S2	139	632	4.9	30	1	10	5	"InChI=1S/C20H20N4O4S2/c1-3-26-19(25)16-15-14-17(22-20(29-2)23-18(14)30-16)24(10-21-15)11-5-6-12-13(9-11)28-8-4-7-27-12/h5-6,9,21H,3-4,7-8,10H2,1-2H3"	CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CN2)C4=CC5=C(C=C4)OCCCO5	USCVPMPUUMBIMM-UHFFFAOYSA-N
DG59161	NSC711104	399952	"Ethyl 7-(3,4-difluorophenyl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate; NSC711104; CHEMBL1998988; NSC-711104; NCI60_039076"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711104	.	.	.	.	408.4	C17H14F2N4O2S2	121	563	5	27	1	10	5	"InChI=1S/C17H14F2N4O2S2/c1-3-25-16(24)13-12-11-14(21-17(26-2)22-15(11)27-13)23(7-20-12)8-4-5-9(18)10(19)6-8/h4-6,20H,3,7H2,1-2H3"	CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CN2)C4=CC(=C(C=C4)F)F	WCGGUWAZMWJGMN-UHFFFAOYSA-N
DG59162	"Ethyl 5-amino-4-(1,3-benzodioxol-5-ylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate"	399953	NSC711105; CHEMBL1974012; NSC-711105; NCI60_039077	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711105	.	.	.	.	404.5	C17H16N4O4S2	162	545	4.5	27	2	10	6	"InChI=1S/C17H16N4O4S2/c1-3-23-16(22)13-12(18)11-14(20-17(26-2)21-15(11)27-13)19-8-4-5-9-10(6-8)25-7-24-9/h4-6H,3,7,18H2,1-2H3,(H,19,20,21)"	CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC4=C(C=C3)OCO4)N	UYZJXIZAGGHRRD-UHFFFAOYSA-N
DG59163	"Ethyl 5-amino-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate"	399954	NSC711106; CHEMBL1981168; NSC-711106; NCI60_039078	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711106	.	.	.	.	418.5	C18H18N4O4S2	162	560	4.4	28	2	10	6	"InChI=1S/C18H18N4O4S2/c1-3-24-17(23)14-13(19)12-15(21-18(27-2)22-16(12)28-14)20-9-4-5-10-11(8-9)26-7-6-25-10/h4-5,8H,3,6-7,19H2,1-2H3,(H,20,21,22)"	CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC4=C(C=C3)OCCO4)N	MEKIPALSNWAOLJ-UHFFFAOYSA-N
DG59164	"ethyl 5-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate"	399955	NSC711107; CHEMBL1970839; NSC-711107; NCI60_039079	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711107	.	.	.	.	432.5	C19H20N4O4S2	162	574	4.8	29	2	10	6	"InChI=1S/C19H20N4O4S2/c1-3-25-18(24)15-14(20)13-16(22-19(28-2)23-17(13)29-15)21-10-5-6-11-12(9-10)27-8-4-7-26-11/h5-6,9H,3-4,7-8,20H2,1-2H3,(H,21,22,23)"	CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC4=C(C=C3)OCCCO4)N	VSYTWBHYFFTCIQ-UHFFFAOYSA-N
DG59165	"3,3-Bis[4-(4-aminoiphenoxy)phenyl]diamantane"	399961	"NSC711113; CHEMBL2003285; NSC-711113; NCI60_039080; 3,3-bis[4-(4-aminoiphenoxy)phenyl]diamantane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711113	.	.	.	.	554.7	C38H38N2O2	70.5	886	9	42	2	4	6	"InChI=1S/C38H38N2O2/c39-26-5-13-30(14-6-26)41-28-9-1-23(2-10-28)38(24-3-11-29(12-4-24)42-31-15-7-27(40)8-16-31)25-20-33-32-17-22-18-35(33)37(38)36(19-22)34(32)21-25/h1-16,22,25,32-37H,17-21,39-40H2"	C1C2CC3C4C1C5CC(C4)C(C3C5C2)(C6=CC=C(C=C6)OC7=CC=C(C=C7)N)C8=CC=C(C=C8)OC9=CC=C(C=C9)N	AKQGWCMCPFIHOU-UHFFFAOYSA-N
DG59166	"3,3-Bis[4-(4-amino-3-hydroxyphenoxy)phenyl]diamantane"	399962	"NSC711114; CHEMBL1982031; NSC-711114; NCI60_039081; 3,3-bis[4-(4-amino-3-hydroxyphenoxy)phenyl]diamantane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711114	.	.	.	.	586.7	C38H38N2O4	111	968	8.3	44	4	6	6	"InChI=1S/C38H38N2O4/c39-33-11-9-26(18-35(33)41)43-24-5-1-21(2-6-24)38(22-3-7-25(8-4-22)44-27-10-12-34(40)36(42)19-27)23-16-29-28-13-20-14-31(29)37(38)32(15-20)30(28)17-23/h1-12,18-20,23,28-32,37,41-42H,13-17,39-40H2"	C1C2CC3C4C1C5CC(C4)C(C3C5C2)(C6=CC=C(C=C6)OC7=CC(=C(C=C7)N)O)C8=CC=C(C=C8)OC9=CC(=C(C=C9)N)O	PRRYJMKXHHNXKX-UHFFFAOYSA-N
DG59167	"2,2-Bis(4-aminophenyl)adamantane"	399965	"NSC711117; SCHEMBL2709443; CHEMBL1992439; 2,2-bis(4-aminophenyl)adamantane; NSC-711117; 4,4'-(Adamantane-2,2-diyl)bisaniline; NCI60_039082"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711117	.	.	.	.	318.5	C22H26N2	52	405	5.3	24	2	2	2	"InChI=1S/C22H26N2/c23-20-5-1-16(2-6-20)22(17-3-7-21(24)8-4-17)18-10-14-9-15(12-18)13-19(22)11-14/h1-8,14-15,18-19H,9-13,23-24H2"	C1C2CC3CC1CC(C2)C3(C4=CC=C(C=C4)N)C5=CC=C(C=C5)N	SIRBJVCEJWRRJT-UHFFFAOYSA-N
DG59168	"2,2-Bis[4-(4-aminophenoxy)phenyl]adamantane"	399966	"2,2-bis[4-(4-aminophenoxy)phenyl]adamantane; NSC711118; SCHEMBL2708160; CHEMBL1987204; NSC-711118; NCI60_039083; 2,2-bis-[4-(4-amino-phenoxy)phenyl]-adamantane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711118	.	.	.	.	502.6	C34H34N2O2	70.5	695	8.4	38	2	4	6	"InChI=1S/C34H34N2O2/c35-28-5-13-32(14-6-28)37-30-9-1-24(2-10-30)34(26-18-22-17-23(20-26)21-27(34)19-22)25-3-11-31(12-4-25)38-33-15-7-29(36)8-16-33/h1-16,22-23,26-27H,17-21,35-36H2"	C1C2CC3CC1CC(C2)C3(C4=CC=C(C=C4)OC5=CC=C(C=C5)N)C6=CC=C(C=C6)OC7=CC=C(C=C7)N	OYVBSGFRWFEXHT-UHFFFAOYSA-N
DG59169	"1,3-Bis(4-aminophenyl)adamantane"	399967	"58788-79-7; 1,3-bis(4-aminophenyl)adamantane; 4,4'-(Adamantane-1,3-diyl)dianiline; 4-[3-(4-aminophenyl)-1-adamantyl]aniline; C22H26N2; NSC711119; Cambridge id 5732278; Oprea1_819151; SCHEMBL2708459; CHEMBL1974515; DTXSID50327996; 1,3-Bis(4-Aminophenyl)Adamantine; AMY18563; ZINC5023727; 1,3-bis-(4-Aminophenyl)adamantane; 8730AB; 4,4'-(1,3-Adamantanediyl)bisaniline; NSC-711119; AC-32095; NCI60_039084; AB00095143-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711119	.	.	.	.	318.5	C22H26N2	52	416	5.5	24	2	2	2	"InChI=1S/C22H26N2/c23-19-5-1-17(2-6-19)21-10-15-9-16(11-21)13-22(12-15,14-21)18-3-7-20(24)8-4-18/h1-8,15-16H,9-14,23-24H2"	C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)N)C5=CC=C(C=C5)N	LALHUWOVOZGIAW-UHFFFAOYSA-N
DG59170	2-Aminomethylpiperidine-4-(2-hydroxy-5-chlorophenyl)-6-phenyl pyrimidine	399970	NSC711122; CHEMBL1982582; NSC-711122; NCI60_039087; 2-aminomethylpiperidine-4-(2-hydroxy-5-chlorophenyl)-6-phenyl pyrimidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711122	.	.	.	.	394.9	C22H23ClN4O	61.3	470	5.1	28	2	5	5	"InChI=1S/C22H23ClN4O/c23-17-9-10-21(28)18(13-17)20-14-19(16-7-3-1-4-8-16)25-22(26-20)24-15-27-11-5-2-6-12-27/h1,3-4,7-10,13-14,28H,2,5-6,11-12,15H2,(H,24,25,26)"	C1CCN(CC1)CNC2=NC(=CC(=N2)C3=C(C=CC(=C3)Cl)O)C4=CC=CC=C4	HSPXJOOLTYSHLR-UHFFFAOYSA-N
DG59171	"3-(2-chlorophenyl)-2-(2-hydroxybenzoyl)-5-methyl-N-phenyl-3,4-dihydropyrazole-4-carboxamide"	399990	NSC711142; CHEMBL1984582; NSC-711142; NCI60_039089	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711142	.	.	.	.	433.9	C24H20ClN3O3	82	694	4.6	31	2	4	4	"InChI=1S/C24H20ClN3O3/c1-15-21(23(30)26-16-9-3-2-4-10-16)22(17-11-5-7-13-19(17)25)28(27-15)24(31)18-12-6-8-14-20(18)29/h2-14,21-22,29H,1H3,(H,26,30)"	CC1=NN(C(C1C(=O)NC2=CC=CC=C2)C3=CC=CC=C3Cl)C(=O)C4=CC=CC=C4O	SJCIYTOVYYJUNN-UHFFFAOYSA-N
DG59172	[5-[5-[5-(Hydroxymethyl)selenophen-2-yl]selenophen-2-yl]-1-methylpyrrol-2-yl]methanol	399993	NSC711172; CHEMBL2000627; NSC-711172; NCI60_039090	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711172	.	.	.	.	399.2	C15H15NO2Se2	45.4	331	.	20	2	2	4	"InChI=1S/C15H15NO2Se2/c1-16-10(8-17)2-4-12(16)13-6-7-15(20-13)14-5-3-11(9-18)19-14/h2-7,17-18H,8-9H2,1H3"	CN1C(=CC=C1C2=CC=C([Se]2)C3=CC=C([Se]3)CO)CO	VQZPHUWWOQKOBK-UHFFFAOYSA-N
DG59173	[1-Methyl-5-(5-selenophen-2-ylselenophen-2-yl)pyrrol-2-yl]methanol	399994	NSC711173; CHEMBL1977471; NSC-711173; NCI60_039091	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711173	.	.	.	.	369.2	C14H13NOSe2	25.2	289	.	18	1	1	3	"InChI=1S/C14H13NOSe2/c1-15-10(9-16)4-5-11(15)12-6-7-14(18-12)13-3-2-8-17-13/h2-8,16H,9H2,1H3"	CN1C(=CC=C1C2=CC=C([Se]2)C3=CC=C[Se]3)CO	LGRXVHQRGONTAX-UHFFFAOYSA-N
DG59174	"3-(3,4-dichlorophenyl)-1-[2-(3,4-dichlorophenyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-1-yl]-1-(4-methoxyphenyl)urea"	400005	NSC711187; CHEMBL1985576; NSC-711187; NCI60_039097	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711187	.	.	.	.	576.3	C26H18Cl4N4O3	66.8	832	6.8	37	1	3	5	"InChI=1S/C26H18Cl4N4O3/c1-37-18-8-5-16(6-9-18)33(25(35)31-15-4-10-19(27)21(29)13-15)24-23-3-2-12-32(23)26(36)34(24)17-7-11-20(28)22(30)14-17/h2-14,24H,1H3,(H,31,35)"	COC1=CC=C(C=C1)N(C2C3=CC=CN3C(=O)N2C4=CC(=C(C=C4)Cl)Cl)C(=O)NC5=CC(=C(C=C5)Cl)Cl	SUNQHYWMNQSEPN-UHFFFAOYSA-N
DG59175	Bardoxolone	400010	"Bardoxolone; 218600-44-3; CDDO; RTA 401; RTA-401; (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylic acid; 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oic acid; UNII-7HT68L8941; 7HT68L8941; 2-Cyano-3,12-dioxooleana-1,9-dien-28-oic acid; C31H41NO4; (4AS,6AR,6BS,8AR,12AS,14AR,14BS)-11-CYANO-2,2,6A,6B,9,9,12A-HEPTAMETHYL-10,14-DIOXO-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,12A,14,14A,14B-OCTADECAHYDROPICENE-4A-CARBOXYLIC ACID; (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-hexadecahydropicene-4a(2H)-carboxylic acid; NSC711193; Bardoxolone (USAN/INN); Bardoxolone [USAN:INN]; SCHEMBL954253; GTPL2717; CDDO(Bardoxolone; RTA 401); CHEMBL1093059; CHEBI:177450; 2-cyano-3,9-dien-28-oic acid; BCP04662; EX-A1731; ZINC6019135; 3470AH; BDBM50096348; MFCD07772296; s6647; AKOS032960362; ACN-037514; BCP9000379; CS-0728; DB12651; NSC 711193; NSC-711193; AC-29872; HY-14909; BCP0726000037; A3220; C74085; D09584; J-509189; Q27074871; Oleana-1,9(11)-dien-28-oic acid, 2-cyano-3,12-dioxo-; (+)-2-Cyano-3,12-dioxooleana-1,9(11)-dien-28-oic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711193	.	.	.	.	491.7	C31H41NO4	95.2	1200	6.4	36	1	5	1	"InChI=1S/C31H41NO4/c1-26(2)10-12-31(25(35)36)13-11-30(7)23(19(31)16-26)20(33)14-22-28(5)15-18(17-32)24(34)27(3,4)21(28)8-9-29(22,30)6/h14-15,19,21,23H,8-13,16H2,1-7H3,(H,35,36)/t19-,21-,23-,28-,29+,30+,31-/m0/s1"	C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)O	TXGZJQLMVSIZEI-UQMAOPSPSA-N
DG59176	"N-[(2Z)-3-(1H-benzimidazol-2-yl)-2H-chromen-2-ylidene]-2,4-dichloroaniline"	400029	"NSC711215; CHEMBL2006621; ZINC1658869; MCULE-3600067898; NSC-711215; NCI60_039101; SR-01000405942; SR-01000405942-1; N-[(2Z)-3-(1H-benzimidazol-2-yl)-2H-chromen-2-ylidene]-2,4-dichloroaniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711215	.	.	.	.	406.3	C22H13Cl2N3O	50.3	639	6.2	28	1	3	2	"InChI=1S/C22H13Cl2N3O/c23-14-9-10-17(16(24)12-14)27-22-15(11-13-5-1-4-8-20(13)28-22)21-25-18-6-2-3-7-19(18)26-21/h1-12H,(H,25,26)"	C1=CC=C2C(=C1)C=C(C(=NC3=C(C=C(C=C3)Cl)Cl)O2)C4=NC5=CC=CC=C5N4	GQHIAHYUXZUZOG-UHFFFAOYSA-N
DG59177	3-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]benzamide	400033	NSC711219; Oprea1_088478; CHEMBL1994614; NSC-711219; NCI60_039102	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711219	.	.	.	.	459.3	C23H15BrN4O2	93.4	726	4.6	30	2	4	3	"InChI=1S/C23H15BrN4O2/c24-15-8-9-20-14(10-15)12-17(22-27-18-6-1-2-7-19(18)28-22)23(30-20)26-16-5-3-4-13(11-16)21(25)29/h1-12H,(H2,25,29)(H,27,28)"	C1=CC=C2C(=C1)NC(=N2)C3=CC4=C(C=CC(=C4)Br)OC3=NC5=CC=CC(=C5)C(=O)N	MLWAHFKNNHKFFX-UHFFFAOYSA-N
DG59178	Ethyl 4-{[(2z)-3-(1h-benzimidazol-2-yl)-6-methoxy-2h-chromen-2-ylidene]amino}benzoate	400037	ethyl 4-{[(2z)-3-(1h-benzimidazol-2-yl)-6-methoxy-2h-chromen-2-ylidene]amino}benzoate; NSC711223; Oprea1_116992; CHEMBL2003804; STL503934; ZINC12917510; AKOS001486205; ZINC252666648; MCULE-8355080810; NSC-711223; NCI60_039104; AK-968/15361721; SR-01000414432; SR-01000414432-1; ethyl 4-{[3-(1H-benzimidazol-2-yl)-6-methoxy-2H-chromen-2-ylidene]amino}benzoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711223	.	.	.	.	439.5	C26H21N3O4	85.8	761	5.2	33	1	6	6	"InChI=1S/C26H21N3O4/c1-3-32-26(30)16-8-10-18(11-9-16)27-25-20(24-28-21-6-4-5-7-22(21)29-24)15-17-14-19(31-2)12-13-23(17)33-25/h4-15H,3H2,1-2H3,(H,28,29)"	CCOC(=O)C1=CC=C(C=C1)N=C2C(=CC3=C(O2)C=CC(=C3)OC)C4=NC5=CC=CC=C5N4	CCYIGQNCLXTSGT-UHFFFAOYSA-N
DG59179	"1'-Acetoxychavicol acetate, (+/-)-"	400072	"Galangal acetate; 1'-Acetoxychavicol acetate, (+/-)-; Galangal acetate, (RS)-; [4-(1-acetyloxyprop-2-enyl)phenyl] acetate; Galangal acetate, (+/-)-; 53890-21-4; D,L-1'-Acetoxychavicol acetate; (+/-)-1'-acetoxychavicol acetate; CCRIS 7708; ACETOXYCHAVICOLACETATE,D/L-1-; 1\\'-acetoxychavicol acetate; CHEMBL359887; SCHEMBL3673490; Benzenemethanol, 4-(acetyloxy)-alpha-ethenyl-, 1-acetate; 4-(1-acetoxyallyl)phenyl acetate; Acetoxychavicol acetate,d/l-1''-; CCA94622; [4-(1-acetoxyallyl)phenyl] acetate; NSC711510; NSC-711510; NCI60_039115; 4-(Acetyloxy)-alpha-ethenylbenzenemethanol; FT-0600188; Q27266132"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711510	.	.	.	.	234.25	C13H14O4	52.6	290	2.2	17	0	4	6	"InChI=1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3"	CC(=O)OC1=CC=C(C=C1)C(C=C)OC(=O)C	JAMQIUWGGBSIKZ-UHFFFAOYSA-N
DG59180	"6-Bromo-9-ethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one"	400089	NSC711581; CHEMBL1967306; NSC-711581; NCI60_039118	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711581	.	.	.	.	296.16	C12H14BrN3O	35.6	325	2.1	17	1	2	1	"InChI=1S/C12H14BrN3O/c1-2-15-4-3-5-16-11-9(14-12(16)17)6-8(13)7-10(11)15/h6-7H,2-5H2,1H3,(H,14,17)"	CCN1CCCN2C3=C(C=C(C=C31)Br)NC2=O	BLOWKDYKISOZPB-UHFFFAOYSA-N
DG59181	"6-Bromo-9-ethyl-11-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one"	400090	NSC711582; CHEMBL1971041; NSC-711582; NCI60_039119	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711582	.	.	.	.	310.19	C13H16BrN3O	35.6	351	2.5	18	1	2	1	"InChI=1S/C13H16BrN3O/c1-3-16-6-8(2)7-17-12-10(15-13(17)18)4-9(14)5-11(12)16/h4-5,8H,3,6-7H2,1-2H3,(H,15,18)"	CCN1CC(CN2C3=C(C=C(C=C31)Br)NC2=O)C	OFBMYVVLHPCLAM-UHFFFAOYSA-N
DG59182	"6-Bromo-9-ethyl-10-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one"	400091	NSC711583; CHEMBL1984733; NSC-711583; NCI60_039120	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711583	.	.	.	.	310.19	C13H16BrN3O	35.6	351	2.5	18	1	2	1	"InChI=1S/C13H16BrN3O/c1-3-16-8(2)4-5-17-12-10(15-13(17)18)6-9(14)7-11(12)16/h6-8H,3-5H2,1-2H3,(H,15,18)"	CCN1C(CCN2C3=C(C=C(C=C31)Br)NC2=O)C	IGYNOQZOPBHGRO-UHFFFAOYSA-N
DG59183	"6-Dicyanomethylene-2-methyl-2,4-bis(thien-2-yl)-1,2,3,6-tetrahydropyridine-5-carbonitrile"	400097	"NSC711589; CHEMBL1993365; NSC-711589; NCI60_039122; 2-(3-Cyano-6-methyl-4,6-di(2-thienyl)-5,6-dihydro-2(1H)-pyridinylidene)malononitrile #; 6-Dicyanomethylene-2-methyl-2,4-bis(thien-2-yl)-1,2,3,6-tetrahydropyridine-5-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711589	.	.	.	.	348.4	C18H12N4S2	140	736	2.7	24	1	6	2	"InChI=1S/C18H12N4S2/c1-18(16-5-3-7-24-16)8-13(15-4-2-6-23-15)14(11-21)17(22-18)12(9-19)10-20/h2-7,22H,8H2,1H3"	CC1(CC(=C(C(=C(C#N)C#N)N1)C#N)C2=CC=CS2)C3=CC=CS3	HLKANFKOOWUNDF-UHFFFAOYSA-N
DG59184	1-[(4-Methoxyphenyl)thio]-1-(1-methylethenyl)cyclopropane	400116	NSC711606; CHEMBL1981936; NSC-711606; NCI60_039130; 1-[(4-Methoxyphenyl)thio]-1-(1-methylethenyl)cyclopropane	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711606	.	.	.	.	220.33	C13H16OS	34.5	237	4	15	0	2	4	"InChI=1S/C13H16OS/c1-10(2)13(8-9-13)15-12-6-4-11(14-3)5-7-12/h4-7H,1,8-9H2,2-3H3"	CC(=C)C1(CC1)SC2=CC=C(C=C2)OC	DOFSVJNXQPMMFC-UHFFFAOYSA-N
DG59185	"2-Amino-4-cyclopropyl-6-(4-fluorophenyl)cyclohexa-2,4-diene-1,1,3-tricarbonitrile"	400138	NSC711632; CHEMBL1985874; MCULE-4338989735; NSC-711632; NCI60_039145; SR-01000198685; SR-01000198685-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711632	.	.	.	.	304.3	C18H13FN4	97.4	707	2.4	23	1	5	2	"InChI=1S/C18H13FN4/c19-13-5-3-12(4-6-13)16-7-14(11-1-2-11)15(8-20)17(23)18(16,9-21)10-22/h3-7,11,16H,1-2,23H2"	C1CC1C2=CC(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)F	QZVDUYUWAGKGJZ-UHFFFAOYSA-N
DG59186	"(5-Formyl-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-yl) thiocyanate"	400142	NSC711636; CHEMBL1994605; NSC-711636; NCI60_039149	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711636	.	.	.	.	296.3	C15H12N4OS	96.9	497	2.1	21	0	5	3	"InChI=1S/C15H12N4OS/c1-10-14-12(6-5-11(8-20)15(14)21-9-16)19(18-10)13-4-2-3-7-17-13/h2-4,7-8H,5-6H2,1H3"	CC1=NN(C2=C1C(=C(CC2)C=O)SC#N)C3=CC=CC=N3	LNGSSQMLQJECIC-UHFFFAOYSA-N
DG59187	"(1R,2R,4S)-1,3,3-trimethyl-2-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-thiol"	400145	NSC711639; CHEMBL1970574; NSC-711639; NCI60_039151	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711639	.	.	.	.	261.399	C16H23NS	13.9	340	4.2	18	1	2	2	"InChI=1S/C16H23NS/c1-14(2)12-7-8-15(3,10-12)16(14,18)11-13-6-4-5-9-17-13/h4-6,9,12,18H,7-8,10-11H2,1-3H3/t12-,15+,16-/m0/s1"	C[C@@]12CC[C@@H](C1)C([C@]2(CC3=CC=CC=N3)S)(C)C	PEEWHYAMPSQVEQ-MAZHCROVSA-N
DG59188	2-[(3-Formylindol-1-yl)methoxy]ethyl acetate	400151	2-[(3-Formylindolyl)methoxy]ethyl acetate; 2-[(3-formylindol-1-yl)methoxy]ethyl acetate; CHEMBL1977459; NSC711646; NSC-711646; NCI60_039153; 1-[(2-Acetoxyethoxy)methyl]-1H-indole-3-carbaldehyde	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711646	.	.	.	.	261.269	C14H15NO4	57.5	321	1.2	19	0	4	7	"InChI=1S/C14H15NO4/c1-11(17)19-7-6-18-10-15-8-12(9-16)13-4-2-3-5-14(13)15/h2-5,8-9H,6-7,10H2,1H3"	CC(=O)OCCOCN1C=C(C2=CC=CC=C21)C=O	SDZRCHRYIAOYSO-UHFFFAOYSA-N
DG59189	N-(1-adamantyl)-6-chloropurine-9-carboxamide	400163	NSC711663; CHEMBL1989900; NSC-711663; NCI60_039159	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711663	.	.	.	.	331.8	C16H18ClN5O	72.7	473	3.4	23	1	4	1	"InChI=1S/C16H18ClN5O/c17-13-12-14(19-7-18-13)22(8-20-12)15(23)21-16-4-9-1-10(5-16)3-11(2-9)6-16/h7-11H,1-6H2,(H,21,23)"	C1C2CC3CC1CC(C2)(C3)NC(=O)N4C=NC5=C4N=CN=C5Cl	KNNMUTUOWKLLJL-UHFFFAOYSA-N
DG59190	L-alanyl derivative of 2-(4-amino-3-methylphenyl)-5-fluorobenzothiazole (HCl salt)	400165	NSC711669; CHEMBL1964482; NSC-711669; L-alanyl derivative of 2-(4-amino-3-methylphenyl)-5-fluorobenzothiazole (HCl salt)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711669	.	.	.	.	365.9	C17H17ClFN3OS	96.2	438	.	24	3	5	3	"InChI=1S/C17H16FN3OS.ClH/c1-9-7-11(3-5-13(9)20-16(22)10(2)19)17-21-14-8-12(18)4-6-15(14)23-17;/h3-8,10H,19H2,1-2H3,(H,20,22);1H"	CC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)NC(=O)C(C)N.Cl	XAYVIDVIXPKYHN-UHFFFAOYSA-N
DG59191	"Benzenamine, 4-(7-fluoro-2-benzothiazolyl)-2-methyl-"	400167	"NSC-711670; NSC711670; CHEMBL32616; Benzenamine, 4-(7-fluoro-2-benzothiazolyl)-2-methyl-; SCHEMBL5691110; DTXSID30327999; 260443-91-2; NCI60_039161; 2-(4-amino-3-mehtylphenyl)-7-fluorobenzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711670	.	.	.	.	258.32	C14H11FN2S	67.2	302	3.8	18	1	4	1	"InChI=1S/C14H11FN2S/c1-8-7-9(5-6-11(8)16)14-17-12-4-2-3-10(15)13(12)18-14/h2-7H,16H2,1H3"	CC1=C(C=CC(=C1)C2=NC3=C(S2)C(=CC=C3)F)N	HNTKIXWEQUTXMD-UHFFFAOYSA-N
DG59192	"Benzenamine, 4-(5,6-difluoro-2-benzothiazolyl)-2-methyl-"	400168	"NSC-711671; NSC711671; CHEMBL32819; SCHEMBL5691302; Benzenamine, 4-(5,6-difluoro-2-benzothiazolyl)-2-methyl-; DTXSID10328000; ZINC1864284; 260443-93-4; NCI60_039162; 2-(4-amino-3-methylphenyl)-5,6-difluorobenzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711671	.	.	.	.	276.31	C14H10F2N2S	67.2	331	3.9	19	1	5	1	"InChI=1S/C14H10F2N2S/c1-7-4-8(2-3-11(7)17)14-18-12-5-9(15)10(16)6-13(12)19-14/h2-6H,17H2,1H3"	CC1=C(C=CC(=C1)C2=NC3=CC(=C(C=C3S2)F)F)N	OFVYPGBTHKOFPS-UHFFFAOYSA-N
DG59193	NSC711693	400180	"N-[2,3-Dihydro-1-(chloromethyl)-5-hydroxy-3-[5-[[2,3-dihydro-1-(chloromethyl)-5-hydroxy-3-(tert-butoxycarbonyl)-1H-benzo[e]indole-7-yl]amino]-1,5-dioxopentyl]-1H-benzo[e]indole-7-yl]acetamide; NSC711693; CHEMBL1989056; NSC-711693; NCI60_039165; 1H-Benz[e]indole-3-carboxylic acid,3-dihydro- 5-hydroxy-1H-benz[e]indol-3-yl]-1,5-dioxopentyl]amino]- 1-(chloromethyl)-2,3-dihydro-5-hydroxy-, 1,1-dimethylethyl ester; N-[2,3-Dihydro-1-(chloromethyl)-5-hydroxy-3-[5-[[2,3-dihydro-1-(chloromethyl)-5-hydroxy-3-(tert-butoxycarbonyl)-1H-benzo[e]indole-7-yl]amino]-1,5-dioxopentyl]-1H-benzo[e]indole-7-yl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711693	.	.	.	.	735.6	C38H40Cl2N4O7	149	1300	4.9	51	4	7	10	"InChI=1S/C38H40Cl2N4O7/c1-20(45)41-23-8-10-25-27(12-23)31(46)14-29-35(25)21(16-39)18-43(29)34(49)7-5-6-33(48)42-24-9-11-26-28(13-24)32(47)15-30-36(26)22(17-40)19-44(30)37(50)51-38(2,3)4/h8-15,21-22,46-47H,5-7,16-19H2,1-4H3,(H,41,45)(H,42,48)"	CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCC(=O)NC4=CC5=C(C=C6C(=C5C=C4)C(CN6C(=O)OC(C)(C)C)CCl)O)CCl)O	OPQNJWHDOOQHIJ-UHFFFAOYSA-N
DG59194	NSC711694	400181	"N-[2,3-Dihydro-1-(chloromethyl)-5-hydroxy-3-[6-[[2,3-dihydro-1-(chloromethyl)-5-hydroxy-3-(tert-butoxycarbonyl)-1H-benzo[e]indole-7-yl]amino]-1,6-dioxohexyl]-1H-benzo[e]indole-7-yl]acetamide; NSC711694; CHEMBL2006097; NSC-711694; NCI60_039166; N-[2,3-Dihydro-1-(chloromethyl)-5-hydroxy-3-[6-[[2,3-dihydro-1-(chloromethyl)-5-hydroxy-3-(tert-butoxycarbonyl)-1H-benzo[e]indole-7-yl]amino]-1,6-dioxohexyl]-1H-benzo[e]indole-7-yl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711694	.	.	.	.	749.7	C39H42Cl2N4O7	149	1320	5.3	52	4	7	11	"InChI=1S/C39H42Cl2N4O7/c1-21(46)42-24-9-11-26-28(13-24)32(47)15-30-36(26)22(17-40)19-44(30)35(50)8-6-5-7-34(49)43-25-10-12-27-29(14-25)33(48)16-31-37(27)23(18-41)20-45(31)38(51)52-39(2,3)4/h9-16,22-23,47-48H,5-8,17-20H2,1-4H3,(H,42,46)(H,43,49)"	CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCCC(=O)NC4=CC5=C(C=C6C(=C5C=C4)C(CN6C(=O)OC(C)(C)C)CCl)O)CCl)O	DEQTWOWKTWQYEE-UHFFFAOYSA-N
DG59195	NSC711695	400182	"N-[2,3-Dihydro-1-(chloromethyl)-5-hydroxy-3-[7-[[2,3-dihydro-1-(chloromethyl)-5-hydroxy-3-(tert-butoxycarbonyl)-1H-benzo[e]indole-7-yl]amino]-1,7-dioxoheptyl]-1H-benzo[e]indole-7-yl]acetamide; NSC711695; CHEMBL1982062; NSC-711695; NCI60_039167; N-[2,3-Dihydro-1-(chloromethyl)-5-hydroxy-3-[7-[[2,3-dihydro-1-(chloromethyl)-5-hydroxy-3-(tert-butoxycarbonyl)-1H-benzo[e]indole-7-yl]amino]-1,7-dioxoheptyl]-1H-benzo[e]indole-7-yl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711695	.	.	.	.	763.7	C40H44Cl2N4O7	149	1330	5.8	53	4	7	12	"InChI=1S/C40H44Cl2N4O7/c1-22(47)43-25-10-12-27-29(14-25)33(48)16-31-37(27)23(18-41)20-45(31)36(51)9-7-5-6-8-35(50)44-26-11-13-28-30(15-26)34(49)17-32-38(28)24(19-42)21-46(32)39(52)53-40(2,3)4/h10-17,23-24,48-49H,5-9,18-21H2,1-4H3,(H,43,47)(H,44,50)"	CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCCCC(=O)NC4=CC5=C(C=C6C(=C5C=C4)C(CN6C(=O)OC(C)(C)C)CCl)O)CCl)O	HFBVJCULYWSBPU-UHFFFAOYSA-N
DG59196	NSC711696	400183	"N-[2,3-Dihydro-1-(chloromethyl)-5-hydroxy-3-[8-[[2,3-dihydro-1-(chloromethyl)-5-hydroxy-3-(tert-butoxycarbonyl)-1H-benzo[e]indole-7-yl]amino]-1,8-dioxooctyl]-1H-benzo[e]indole-7-yl]acetamide; NSC711696; CHEMBL2002176; NSC-711696; NCI60_039168; N-[2,3-Dihydro-1-(chloromethyl)-5-hydroxy-3-[8-[[2,3-dihydro-1-(chloromethyl)-5-hydroxy-3-(tert-butoxycarbonyl)-1H-benzo[e]indole-7-yl]amino]-1,8-dioxooctyl]-1H-benzo[e]indole-7-yl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711696	.	.	.	.	777.7	C41H46Cl2N4O7	149	1350	6.4	54	4	7	13	"InChI=1S/C41H46Cl2N4O7/c1-23(48)44-26-11-13-28-30(15-26)34(49)17-32-38(28)24(19-42)21-46(32)37(52)10-8-6-5-7-9-36(51)45-27-12-14-29-31(16-27)35(50)18-33-39(29)25(20-43)22-47(33)40(53)54-41(2,3)4/h11-18,24-25,49-50H,5-10,19-22H2,1-4H3,(H,44,48)(H,45,51)"	CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCCCCC(=O)NC4=CC5=C(C=C6C(=C5C=C4)C(CN6C(=O)OC(C)(C)C)CCl)O)CCl)O	OIJQNOUPXVOYPM-UHFFFAOYSA-N
DG59197	"Pyrrolo[1,2-a]quinoxalin-4-amine, N-(3,4,5-trimethoxyphenyl)-"	400205	"Pyrrolo[1,2-a]quinoxalin-4-amine, N-(3,4,5-trimethoxyphenyl)-; NSC711723; CHEMBL2002557; DTXSID70328001; N-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]quinoxalin-4-amine; NSC-711723; 664995-99-7; NCI60_039176"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711723	.	.	.	.	349.4	C20H19N3O3	57	452	4.6	26	1	5	5	"InChI=1S/C20H19N3O3/c1-24-17-11-13(12-18(25-2)19(17)26-3)21-20-16-9-6-10-23(16)15-8-5-4-7-14(15)22-20/h4-12H,1-3H3,(H,21,22)"	COC1=CC(=CC(=C1OC)OC)NC2=NC3=CC=CC=C3N4C2=CC=C4	RJZINLKYNXMNPF-UHFFFAOYSA-N
DG59198	"N-(3,4-dimethoxyphenyl)pyrrolo[1,2-a]quinoxalin-4-amine"	400206	"NSC711724; CHEMBL1966723; N-(3,4-dimethoxyphenyl)pyrrolo[1,2-a]quinoxalin-4-amine; NSC-711724; NCI60_039177; Pyrrolo[1,2-a]quinoxalin-4-amine, N-(3,4-dimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711724	.	.	.	.	319.4	C19H17N3O2	47.8	421	4.7	24	1	4	4	"InChI=1S/C19H17N3O2/c1-23-17-10-9-13(12-18(17)24-2)20-19-16-8-5-11-22(16)15-7-4-3-6-14(15)21-19/h3-12H,1-2H3,(H,20,21)"	COC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N4C2=CC=C4)OC	KSEPMMWCTARMLW-UHFFFAOYSA-N
DG59199	"Ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)benzoate"	400207	"NSC711725; ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)benzoate; CHEMBL1973820; NSC-711725; NCI60_039178; Benzoic acid, 4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711725	.	.	.	.	331.4	C20H17N3O2	55.6	464	4.9	25	1	4	5	"InChI=1S/C20H17N3O2/c1-2-25-20(24)14-9-11-15(12-10-14)21-19-18-8-5-13-23(18)17-7-4-3-6-16(17)22-19/h3-13H,2H2,1H3,(H,21,22)"	CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=CC=C4	DQQYAUGXYKNVPF-UHFFFAOYSA-N
DG59200	"7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]quinoxalin-4-amine"	400209	"NSC711727; CHEMBL1999139; NSC-711727; 7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]quinoxalin-4-amine; NCI60_039179; Pyrrolo[1,2-a]quinoxalin-4-amine, 7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711727	.	.	.	.	417.4	C21H18F3N3O3	57	567	5.5	30	1	8	5	"InChI=1S/C21H18F3N3O3/c1-28-17-10-13(11-18(29-2)19(17)30-3)25-20-16-5-4-8-27(16)15-7-6-12(21(22,23)24)9-14(15)26-20/h4-11H,1-3H3,(H,25,26)"	COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4	IMCLBXOFMFYEDT-UHFFFAOYSA-N
DG59201	"Diethyl 2-[[4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)benzoyl]amino]pentanedioate"	400213	"NSC711731; CHEMBL1985250; NSC-711731; diethyl 2-[[4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)benzoyl]amino]pentanedioate; NCI60_039182; Glutamic acid, N-[4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)benzoyl]-, diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711731	.	.	.	.	488.5	C27H28N4O5	111	756	4.9	36	2	7	12	"InChI=1S/C27H28N4O5/c1-3-35-24(32)16-15-21(27(34)36-4-2)30-26(33)18-11-13-19(14-12-18)28-25-23-10-7-17-31(23)22-9-6-5-8-20(22)29-25/h5-14,17,21H,3-4,15-16H2,1-2H3,(H,28,29)(H,30,33)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=CC=C4	FJVGFBADZAJQEG-UHFFFAOYSA-N
DG59202	"(2R,6R)-9,11-dibromo-10-thia-3,5-diazatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione"	400215	NSC711733; CHEMBL1964547; NSC-711733; NCI60_039183	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711733	.	.	.	.	352	C8H4Br2N2O2S	86.4	354	2	15	2	3	0	"InChI=1S/C8H4Br2N2O2S/c9-6-1-2(7(10)15-6)5(13)4-3(1)11-8(14)12-4/h3-4H,(H2,11,12,14)/t3-,4-/m1/s1"	[C@H]12[C@H](C(=O)C3=C(SC(=C31)Br)Br)NC(=O)N2	KOESKBCJGMORCR-QWWZWVQMSA-N
DG59203	"7H-Thieno[3',4]cyclopent[1,2-d]oxazole-2,7(1H)-dione, 4,6-dichloro-3a,7a-dihydro-, CIS-"	400219	"NSC711737; CHEMBL1997363; NSC-711737; NCI60_039185; 7H-Thieno[3',4]cyclopent[1,2-d]oxazole-2,7(1H)-dione, 4,6-dichloro-3a,7a-dihydro-, CIS-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711737	.	.	.	.	264.08	C8H3Cl2NO3S	83.6	353	2.5	15	1	4	0	"InChI=1S/C8H3Cl2NO3S/c9-6-1-2(7(10)15-6)5-3(4(1)12)11-8(13)14-5/h3,5H,(H,11,13)/t3-,5+/m0/s1"	[C@@H]12[C@@H](C3=C(SC(=C3C1=O)Cl)Cl)OC(=O)N2	XESIJUCJTMXHFM-WVZVXSGGSA-N
DG59204	"1,3-Dibromo-6-hydroxy-5,6-dihydro-4H-cyclopenta[c]thiophene-4-one"	400221	"NSC711739; SCHEMBL75837; CHEMBL1995297; NSC-711739; NCI60_039187; 1,3-Dibromo-6-hydroxy-5,6-dihydro-4H-cyclopenta[c]thiophene-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711739	.	.	.	.	311.98	C7H4Br2O2S	65.5	224	2.3	12	1	3	0	"InChI=1S/C7H4Br2O2S/c8-6-4-2(10)1-3(11)5(4)7(9)12-6/h2,10H,1H2"	C1C(C2=C(SC(=C2C1=O)Br)Br)O	LHDVRMUFRJUZPP-UHFFFAOYSA-N
DG59205	"1,3-Dibromocyclopenta[c]thiophen-4-one"	400222	NSC711740; SCHEMBL6518357; CHEMBL1993117; NSC-711740; NCI60_039188	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711740	.	.	.	.	293.97	C7H2Br2OS	45.3	229	3.7	11	0	2	0	InChI=1S/C7H2Br2OS/c8-6-3-1-2-4(10)5(3)7(9)11-6/h1-2H	C1=CC(=O)C2=C(SC(=C21)Br)Br	OQUIRJRSMXEUAH-UHFFFAOYSA-N
DG59206	"Di-(1,6-dihydro-4H-cyclopenta[c]thien-6-yl) amine"	400223	"NSC711741; CHEMBL1969054; NSC-711741; NCI60_039189; Di-(1,6-dihydro-4H-cyclopenta[c]thien-6-yl) amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711741	.	.	.	.	605	C14H7Br4NO2S2	103	507	5.3	23	1	5	2	"InChI=1S/C14H7Br4NO2S2/c15-11-7-3(1-5(20)9(7)13(17)22-11)19-4-2-6(21)10-8(4)12(16)23-14(10)18/h3-4,19H,1-2H2"	C1C(C2=C(SC(=C2C1=O)Br)Br)NC3CC(=O)C4=C(SC(=C34)Br)Br	RSNDTYCGNHCIDZ-UHFFFAOYSA-N
DG59207	"5-Bromo-1,3-dichlorocyclopenta[c]thiophen-4-one"	400226	NSC711744; CHEMBL1985940; NSC-711744; NCI60_039192	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711744	.	.	.	.	283.96	C7HBrCl2OS	45.3	268	4.4	12	0	2	0	InChI=1S/C7HBrCl2OS/c8-3-1-2-4(5(3)11)7(10)12-6(2)9/h1H	C1=C(C(=O)C2=C(SC(=C21)Cl)Cl)Br	ZXVRGUHEUKLWPK-UHFFFAOYSA-N
DG59208	"6-Bromo-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one"	400227	NSC711745; CHEMBL1964941; NSC-711745; NCI60_039193	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711745	.	.	.	.	285.97	C7H3BrCl2OS	45.3	226	3.6	12	0	2	0	"InChI=1S/C7H3BrCl2OS/c8-2-1-3(11)5-4(2)6(9)12-7(5)10/h2H,1H2"	C1C(C2=C(SC(=C2C1=O)Cl)Cl)Br	QXJHUKYIQBIUGT-UHFFFAOYSA-N
DG59209	"6-Oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-carboxylic acid"	400255	"CHEMBL572922; NSC711783; BDBM50300065; 6-oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-carboxylic acid; NSC-711783; NCI60_039202; 6-Oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzoazepine-9-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711783	.	.	.	.	292.29	C17H12N2O3	82.2	481	2.1	22	3	3	1	"InChI=1S/C17H12N2O3/c20-15-8-12-11-7-9(17(21)22)5-6-14(11)19-16(12)10-3-1-2-4-13(10)18-15/h1-7,19H,8H2,(H,18,20)(H,21,22)"	C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)C(=O)O	HPQFHRUCKCVBBP-UHFFFAOYSA-N
DG59210	"Methyl 6-oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-carboxylate"	400256	"CHEMBL582893; NSC711784; BDBM50300061; Methyl 6-oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-carboxylate; NSC-711784; NCI60_039203"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711784	.	.	.	.	306.3	C18H14N2O3	71.2	495	2.4	23	2	3	2	"InChI=1S/C18H14N2O3/c1-23-18(22)10-6-7-15-12(8-10)13-9-16(21)19-14-5-3-2-4-11(14)17(13)20-15/h2-8,20H,9H2,1H3,(H,19,21)"	COC(=O)C1=CC2=C(C=C1)NC3=C2CC(=O)NC4=CC=CC=C43	YKROMFXYBBYDLR-UHFFFAOYSA-N
DG59211	"(2-Chloro-2,4-dimethylpentan-3-yl)-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane"	400257	NSC711790; CHEMBL1976591; NSC-711790; NCI60_039205	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711790	.	.	.	.	363.9	C20H26ClNOS	37.8	508	6.5	24	0	2	5	"InChI=1S/C20H26ClNOS/c1-15(2)19(20(4,5)21)24(23,18-13-11-16(3)12-14-18)22-17-9-7-6-8-10-17/h6-15,19H,1-5H3"	CC1=CC=C(C=C1)S(=NC2=CC=CC=C2)(=O)C(C(C)C)C(C)(C)Cl	DVFUUDXSWUKQSE-UHFFFAOYSA-N
DG59212	3-(1H-indol-3-yl)quinoxalin-2-ol	400272	3-(1H-indol-3-yl)quinoxalin-2-ol; NSC711805; Maybridge3_003220; MLS001181936; SCHEMBL1902587; CHEMBL1565989; SCHEMBL17175790; 3-(indol-3-yl)quinoxalin-2-one; HMS1440C08; HMS2867J07; CCG-47980; MFCD01119312; ZINC17836862; MCULE-6755976279; NSC-711805; IDI1_014607; SMR000567728; 3-(1H-Indole-3-yl)quinoxaline-2(1H)-one; SR-01000637558-1; BRD-K74614412-001-08-9; 57805-23-9	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711805	.	.	.	.	261.279	C16H11N3O	57.2	433	2.5	20	2	2	1	"InChI=1S/C16H11N3O/c20-16-15(18-13-7-3-4-8-14(13)19-16)11-9-17-12-6-2-1-5-10(11)12/h1-9,17H,(H,19,20)"	C1=CC=C2C(=C1)C(=CN2)C3=NC4=CC=CC=C4NC3=O	JBTOKKDMHISPBA-UHFFFAOYSA-N
DG59213	3-[2-(1H-indol-3-yl)-2-oxoethyl]-1H-quinoxalin-2-one	400273	NSC711806; CHEMBL1982518; NSC-711806; NCI60_039211	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711806	.	.	.	.	303.3	C18H13N3O2	74.3	530	2.3	23	2	3	3	"InChI=1S/C18H13N3O2/c22-17(12-10-19-13-6-2-1-5-11(12)13)9-16-18(23)21-15-8-4-3-7-14(15)20-16/h1-8,10,19H,9H2,(H,21,23)"	C1=CC=C2C(=C1)C(=CN2)C(=O)CC3=NC4=CC=CC=C4NC3=O	CCHNHZBCDADIRM-UHFFFAOYSA-N
DG59214	1-(5-nitro-1-benzothiophen-2-yl)-N-pyrazin-2-ylmethanimine	400287	NSC711821; CHEMBL1985034; NSC-711821; NCI60_039217	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711821	.	.	.	.	284.3	C13H8N4O2S	112	387	2.6	20	0	6	2	InChI=1S/C13H8N4O2S/c18-17(19)10-1-2-12-9(5-10)6-11(20-12)7-16-13-8-14-3-4-15-13/h1-8H	C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)C=NC3=NC=CN=C3	QBHJVBZLEBCLGX-UHFFFAOYSA-N
DG59215	"1,6-Bis[2,3-dihydro-1-(chloromethyl)-5-hydroxy-7-(acetylamino)-1H-benzo[e]indole-3-yl]-1,6-hexanedione"	400400	"NSC711946; CHEMBL1964887; NSC-711946; NCI60_039281; 1,6-Bis[2,3-dihydro-1-(chloromethyl)-5-hydroxy-7-(acetylamino)-1H-benzo[e]indole-3-yl]-1,6-hexanedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711946	.	.	.	.	691.6	C36H36Cl2N4O6	139	1120	3.9	48	4	6	9	"InChI=1S/C36H36Cl2N4O6/c1-19(43)39-23-7-9-25-27(11-23)31(45)13-29-35(25)21(15-37)17-41(29)33(47)5-3-4-6-34(48)42-18-22(16-38)36-26-10-8-24(40-20(2)44)12-28(26)32(46)14-30(36)42/h7-14,21-22,45-46H,3-6,15-18H2,1-2H3,(H,39,43)(H,40,44)"	CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCCC(=O)N4CC(C5=C6C=CC(=CC6=C(C=C54)O)NC(=O)C)CCl)CCl)O	RXTOYKYVEKOFCF-UHFFFAOYSA-N
DG59216	"1,7-Bis[2,3-dihydro-1-(chloromethyl)-5-hydroxy-7-(acetylamino)-1H-benzo[e]indole-3-yl]-1,7-heptanedione"	400401	"NSC711947; CHEMBL1969359; NSC-711947; NCI60_039282; 1,7-Bis[2,3-dihydro-1-(chloromethyl)-5-hydroxy-7-(acetylamino)-1H-benzo[e]indole-3-yl]-1,7-heptanedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711947	.	.	.	.	705.6	C37H38Cl2N4O6	139	1140	4.4	49	4	6	10	"InChI=1S/C37H38Cl2N4O6/c1-20(44)40-24-8-10-26-28(12-24)32(46)14-30-36(26)22(16-38)18-42(30)34(48)6-4-3-5-7-35(49)43-19-23(17-39)37-27-11-9-25(41-21(2)45)13-29(27)33(47)15-31(37)43/h8-15,22-23,46-47H,3-7,16-19H2,1-2H3,(H,40,44)(H,41,45)"	CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCCCC(=O)N4CC(C5=C6C=CC(=CC6=C(C=C54)O)NC(=O)C)CCl)CCl)O	DNHUTNVBMVSVOB-UHFFFAOYSA-N
DG59217	"1,8-Bis[2,3-dihydro-1-(chloromethyl)-5-hydroxy-7-(acetylamino)-1H-benzo[e]indole-3-yl]-1,8-octanedione"	400402	"NSC711948; CHEMBL1995053; NSC-711948; NCI60_039283; 1,8-Bis[2,3-dihydro-1-(chloromethyl)-5-hydroxy-7-(acetylamino)-1H-benzo[e]indole-3-yl]-1,8-octanedione; Acetamide,N'-[1,8-dioxo-1,8-octanediyldi[1-(chloromethyl)- 2,3-dihydro-5-hydroxy-1H-benz[e]indole-3,7-diyl]]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711948	.	.	.	.	719.6	C38H40Cl2N4O6	139	1150	5	50	4	6	11	"InChI=1S/C38H40Cl2N4O6/c1-21(45)41-25-9-11-27-29(13-25)33(47)15-31-37(27)23(17-39)19-43(31)35(49)7-5-3-4-6-8-36(50)44-20-24(18-40)38-28-12-10-26(42-22(2)46)14-30(28)34(48)16-32(38)44/h9-16,23-24,47-48H,3-8,17-20H2,1-2H3,(H,41,45)(H,42,46)"	CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCCCCC(=O)N4CC(C5=C6C=CC(=CC6=C(C=C54)O)NC(=O)C)CCl)CCl)O	WLPCNVCCIRKXNR-UHFFFAOYSA-N
DG59218	"2-[(2,17-Dimethyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-yl)oxy]ethanol;hydroiodide"	400404	NSC711960; CHEMBL1977106; NSC-711960	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711960	.	.	.	.	433.3	C20H20INO2	34.4	414	.	24	2	2	3	"InChI=1S/C20H19NO2.HI/c1-13-14-7-5-8-16(14)19(23-11-10-22)12-17-15-6-3-4-9-18(15)21(2)20(13)17;/h3-9,12,22H,10-11H2,1-2H3;1H"	CC1=C2C=CC=C2C(=CC3=C1N(C4=CC=CC=C43)C)OCCO.I	YBFZCIUMOYBRKN-UHFFFAOYSA-N
DG59219	NSC711987	400409	"5-methyl-2-[3-[[4-[[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride; NSC711987; CHEMBL1970571; NSC-711987"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711987	.	.	.	.	491	C28H31ClN4O2	67.2	657	.	35	3	4	8	"InChI=1S/C28H30N4O2.ClH/c1-19-15-29-27(31-19)23-5-3-7-25(13-23)33-17-21-9-11-22(12-10-21)18-34-26-8-4-6-24(14-26)28-30-16-20(2)32-28;/h3-14,19-20H,15-18H2,1-2H3,(H,29,31)(H,30,32);1H"	CC1CN=C(N1)C2=CC(=CC=C2)OCC3=CC=C(C=C3)COC4=CC=CC(=C4)C5=NCC(N5)C.Cl	DUPMCMLFRARUGK-UHFFFAOYSA-N
DG59220	5-(1H-indol-3-yl)-3-methoxypyrazin-2-amine	400421	NSC712000; SCHEMBL3618586; CHEMBL1973229; NSC-712000; NCI60_039294	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712000	.	.	.	.	240.26	C13H12N4O	76.8	288	1.5	18	2	4	2	"InChI=1S/C13H12N4O/c1-18-13-12(14)16-7-11(17-13)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3,(H2,14,16)"	COC1=NC(=CN=C1N)C2=CNC3=CC=CC=C32	AKALEHWIDXYJAD-UHFFFAOYSA-N
DG59221	3-Bromo-5-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrazin-2-amine	400422	NSC712001; CHEMBL1997077; NSC-712001; NCI60_039295	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712001	.	.	.	.	443.3	C19H15BrN4O2S	99.2	620	3.8	27	1	5	3	"InChI=1S/C19H15BrN4O2S/c1-12-6-8-13(9-7-12)27(25,26)24-11-15(14-4-2-3-5-17(14)24)16-10-22-19(21)18(20)23-16/h2-11H,1H3,(H2,21,22)"	CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4=CN=C(C(=N4)Br)N	JJUYTSYASSUTBD-UHFFFAOYSA-N
DG59222	3-[6-Methoxy-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole	400427	NSC712006; CHEMBL1991401; NSC-712006; NCI60_039297	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712006	.	.	.	.	648.8	C35H28N4O5S2	130	1250	7.2	46	0	7	7	"InChI=1S/C35H28N4O5S2/c1-23-12-16-25(17-13-23)45(40,41)38-21-29(27-8-4-6-10-32(27)38)31-20-34(44-3)37-35(36-31)30-22-39(33-11-7-5-9-28(30)33)46(42,43)26-18-14-24(2)15-19-26/h4-22H,1-3H3"	CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4=CC(=NC(=N4)C5=CN(C6=CC=CC=C65)S(=O)(=O)C7=CC=C(C=C7)C)OC	ALKGPGIAFUSYDZ-UHFFFAOYSA-N
DG59223	3-[2-(1H-indol-3-yl)-5-methylpyrimidin-4-yl]-1H-indole	400430	NSC712009; CHEMBL1982698; NSC-712009; NCI60_039299	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712009	.	.	.	.	324.4	C21H16N4	57.4	469	4.1	25	2	2	2	"InChI=1S/C21H16N4/c1-13-10-24-21(17-12-23-19-9-5-3-7-15(17)19)25-20(13)16-11-22-18-8-4-2-6-14(16)18/h2-12,22-23H,1H3"	CC1=CN=C(N=C1C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54	DHGJGPCKVFRWBR-UHFFFAOYSA-N
DG59224	3-[2-(1H-indol-3-yl)pyrimidin-4-yl]-1H-indole	400432	"NSC712011; 3-[2-(1H-indol-3-yl)pyrimidin-4-yl]-1H-indole; 2,4-bis(3-indolyl)pyrimidine; CHEMBL1990441; SCHEMBL20030496; NSC-712011; NCI60_039300"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712011	.	.	.	.	310.4	C20H14N4	57.4	441	3.8	24	2	2	2	"InChI=1S/C20H14N4/c1-3-7-17-13(5-1)15(11-22-17)19-9-10-21-20(24-19)16-12-23-18-8-4-2-6-14(16)18/h1-12,22-23H"	C1=CC=C2C(=C1)C(=CN2)C3=NC(=NC=C3)C4=CNC5=CC=CC=C54	CTQUYZZQMOWNFM-UHFFFAOYSA-N
DG59225	Bromodeoxytopsentin	400452	Bromodeoxytopsentin; [4-(6-bromo-1h-indol-3-yl)-1h-imidazol-2-yl](1h-indol-3-yl)methanone; NSC712184; CHEMBL198814; SCHEMBL17537615; CHEBI:144087; BDBM50210344; NSC-712184; NCI60_039303; [5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl](1H-indol-3-yl)methanone; 180633-55-0	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712184	.	.	.	.	405.2	C20H13BrN4O	77.3	546	4.3	26	3	2	3	"InChI=1S/C20H13BrN4O/c21-11-5-6-13-14(8-23-17(13)7-11)18-10-24-20(25-18)19(26)15-9-22-16-4-2-1-3-12(15)16/h1-10,22-23H,(H,24,25)"	C1=CC=C2C(=C1)C(=CN2)C(=O)C3=NC=C(N3)C4=CNC5=C4C=CC(=C5)Br	RMAWSNVDVKZXDX-UHFFFAOYSA-N
DG59226	"3-(3-Nitrophenyl)-6-(4-nitrophenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	400459	NSC712196; CHEMBL2006301; AKOS004903295; NSC-712196; 215996-75-1; NCI60_039308	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712196	.	.	.	.	370.3	C15H10N6O4S	160	549	3.4	26	1	8	2	"InChI=1S/C15H10N6O4S/c22-20(23)11-6-4-9(5-7-11)14-18-19-13(16-17-15(19)26-14)10-2-1-3-12(8-10)21(24)25/h1-8,14,18H"	C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C3N2NC(S3)C4=CC=C(C=C4)[N+](=O)[O-]	RYJHAYDJKMODAP-UHFFFAOYSA-N
DG59227	Didemnin B aminomethylene	400460	NSC712199; Didemnin B aminomethylene; NSC-712199; NCI60_039309	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712199	.	.	.	.	1096.4	C57H89N7O14	268	2110	6.2	78	4	15	16	"InChI=1S/C57H89N7O14/c1-15-34(8)47-45(66)29-46(67)78-50(33(6)7)49(68)35(9)51(69)58-41(26-31(2)3)55(73)64-25-17-19-42(64)56(74)62(13)44(28-38-20-22-40(76-14)23-21-38)57(75)77-37(11)48(53(71)59-47)60-52(70)43(27-32(4)5)61(12)30-39-18-16-24-63(39)54(72)36(10)65/h20-23,31-35,37,39,41-45,47-48,50,66H,15-19,24-30H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t34-,35-,37+,39 ,41-,42 ,43+,44-,45-,47+,48-,50-/m0/s1"	CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCCC2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)CC3CCCN3C(=O)C(=O)C)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O	GSWPCDZSGIJEFI-RBTPVWJHSA-N
DG59228	10-Amino-7-trimethylsilylethylcamptothecin	400461	NSC712201; CHEMBL1979572; NSC-712201; NCI60_039310; 10-Amino-7-trimethylsilylethylcamptothecin	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712201	.	.	.	.	463.6	C25H29N3O4Si	106	925	.	33	2	6	4	"InChI=1S/C25H29N3O4Si/c1-5-25(31)19-11-21-22-17(12-28(21)23(29)18(19)13-32-24(25)30)15(8-9-33(2,3)4)16-10-14(26)6-7-20(16)27-22/h6-7,10-11,31H,5,8-9,12-13,26H2,1-4H3/t25-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=CC(=C5)N)N=C4C3=C2)CC[Si](C)(C)C)O	VSMBGKVBFJABOI-VWLOTQADSA-N
DG59229	"2-(Chloromethyl)-4,5-bis[(pyrimidine-2-yl)thio]pyridazine-3(2H)-one"	400496	"NSC712393; CHEMBL1974022; NSC-712393; NCI60_039330; 2-(Chloromethyl)-4,5-bis[(pyrimidine-2-yl)thio]pyridazine-3(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712393	.	.	.	.	364.8	C13H9ClN6OS2	135	491	1.9	23	0	8	5	"InChI=1S/C13H9ClN6OS2/c14-8-20-11(21)10(23-13-17-5-2-6-18-13)9(7-19-20)22-12-15-3-1-4-16-12/h1-7H,8H2"	C1=CN=C(N=C1)SC2=C(C(=O)N(N=C2)CCl)SC3=NC=CC=N3	AAFYMIQMIOGQHL-UHFFFAOYSA-N
DG59230	"Phosphine, [2-(dipyridinylphosphino)ethyl]diphenyl-"	400499	"NSC712396; CHEMBL1981823; NSC-712396; NCI60_039332; Phosphine, [2-(dipyridinylphosphino)ethyl]diphenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712396	.	.	.	.	400.4	C24H22N2P2	25.8	398	4.4	28	0	2	7	"InChI=1S/C24H22N2P2/c1-3-11-21(12-4-1)27(22-13-5-2-6-14-22)19-20-28(23-15-7-9-17-25-23)24-16-8-10-18-26-24/h1-18H,19-20H2"	C1=CC=C(C=C1)P(CCP(C2=CC=CC=N2)C3=CC=CC=N3)C4=CC=CC=C4	VZLPLTZBCKHJAO-UHFFFAOYSA-N
DG59231	Ambewelamide A	400501	"Ambewelamide A; 220345-71-1; Scabrosin B; NSC712399; CHEMBL1966331; DTXSID10328005; NSC-712399; NCI60_039333; Butanoic acid,2S,4aR,6aS,6bR,7aS,8S,10aR,12aS,12bR)- 8-(acetyloxy)-1a,2,6a,6b,7a,8,12a,12b-octahydro- 5,11-dioxo-5H,11H-4a,10a-epidithio-4H,10H-bisoxireno[g,g'] pyrazino[1,2-a:4,5-a']diindol-2-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712399	.	.	.	.	532.6	C24H24N2O8S2	169	1220	-0.7	36	0	10	6	"InChI=1S/C24H24N2O8S2/c1-3-4-14(28)32-13-6-11-8-24-22(30)25-15-10(5-12(31-9(2)27)17-19(15)33-17)7-23(25,35-36-24)21(29)26(24)16(11)20-18(13)34-20/h5-6,12-13,15-20H,3-4,7-8H2,1-2H3/t12-,13-,15-,16-,17-,18-,19+,20+,23+,24+/m0/s1"	CCCC(=O)O[C@H]1C=C2C[C@@]34C(=O)N5[C@@H]6[C@@H]7[C@@H](O7)[C@H](C=C6C[C@]5(C(=O)N3[C@@H]2[C@@H]8[C@H]1O8)SS4)OC(=O)C	OBYDDBDJKUQGLS-BIQXIOCUSA-N
DG59232	Sodagnitin A	400502	"Sodagnitin A; NSC712400; CHEMBL1973041; NSC-712400; NCI60_039334; 3(2H)-Furanone,6S)-5-[(3S,3aS,5aS,8S,9aS,9bR)-~ dodecahydro-8-hydroxy-3a,6,6,9a-tetramethyl-7-oxo-1H-benz~ [e]inden-3-yl]-3,6-dihydro-6-hydroxy-2H-pyran-2-yl]ethenyl]-2,2-dimethyl-, rel-(-)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712400	.	.	.	.	498.6	C30H42O6	93.1	1070	4.8	36	2	6	3	"InChI=1S/C30H42O6/c1-16(21-14-24(32)28(4,5)36-21)20-10-8-17(26(34)35-20)18-9-11-23-29(18,6)13-12-22-27(2,3)25(33)19(31)15-30(22,23)7/h8,14,18-20,22-23,26,31,34H,1,9-13,15H2,2-7H3/t18-,19+,20-,22-,23-,26+,29-,30-/m0/s1"	C[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@H]2C4=CC[C@H](O[C@H]4O)C(=C)C5=CC(=O)C(O5)(C)C)(C[C@H](C(=O)C3(C)C)O)C	RGYVYGAQTJOSEN-OPSOQUJQSA-N
DG59233	Sodagnitin C	400503	"Sodagnitin C; NSC712401; CHEMBL1983716; NSC-712401; NCI60_039335; Pentanedioic acid, mono[(3R,3aR,5aR,8R, 9aR,9bS)-3-[(2R,6S)-6-[1-(4,5-dihydro-5,5-dimethyl-4-oxo-2- furanyl)ethenyl]-5,6-dihydro-2-hydroxy-2H-pyran-3-yl]dodeca~ hydro-3a,6,6,9a-tetramethyl-7-oxo-1H-benz[e]inden-8-yl] ester, rel-(-)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712401	.	.	.	.	642.8	C36H50O10	157	1400	4.4	46	3	10	9	"InChI=1S/C36H50O10/c1-19(23-15-27(37)33(4,5)46-23)22-11-9-20(31(42)45-22)21-10-12-26-35(21,7)14-13-25-32(2,3)30(41)24(16-36(25,26)8)44-29(40)18-34(6,43)17-28(38)39/h9,15,21-22,24-26,31,42-43H,1,10-14,16-18H2,2-8H3,(H,38,39)/t21-,22-,24+,25-,26-,31+,34 ,35-,36-/m0/s1"	C[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@H]2C4=CC[C@H](O[C@H]4O)C(=C)C5=CC(=O)C(O5)(C)C)(C[C@H](C(=O)C3(C)C)OC(=O)CC(C)(CC(=O)O)O)C	DVUPORDGVNJPLI-MIBVFTOXSA-N
DG59234	"tetramethyl (1R,5R,6S,7R,9S)-3-benzoyloxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	400513	NSC712411; CHEMBL1978579; NSC-712411; NCI60_039345	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712411	.	.	.	.	566.6	C30H30O11	152	1070	3	41	1	11	12	"InChI=1S/C30H30O11/c1-37-26(32)20-19-15-18(16-11-7-5-8-12-16)21(27(33)38-2)30(36,22(19)28(34)39-3)23(29(35)40-4)24(20)41-25(31)17-13-9-6-10-14-17/h5-14,18-19,21-23,36H,15H2,1-4H3/t18-,19-,21+,22+,23 ,30+/m0/s1"	COC(=O)[C@H]1[C@@H](C[C@@H]2[C@@H]([C@]1(C(C(=C2C(=O)OC)OC(=O)C3=CC=CC=C3)C(=O)OC)O)C(=O)OC)C4=CC=CC=C4	DVWAEBWELUSHIL-MXZFEKPTSA-N
DG59235	"1,2 Benzo-8-(1-hydroxy-2-methylamino propane)-3-phenoxazone"	400530	"NSC712572; CHEMBL1998162; NSC-712572; NCI60_039351; 1,2 Benzo-8-(1-hydroxy-2-methylamino propane)-3-phenoxazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712572	.	.	.	.	334.4	C20H18N2O3	70.9	600	2.1	25	2	5	3	"InChI=1S/C20H18N2O3/c1-11(21-2)20(24)12-7-8-17-15(9-12)22-19-14-6-4-3-5-13(14)16(23)10-18(19)25-17/h3-11,20-21,24H,1-2H3"	CC(C(C1=CC2=C(C=C1)OC3=CC(=O)C4=CC=CC=C4C3=N2)O)NC	BWHXJQNOJRJGNB-UHFFFAOYSA-N
DG59236	"Tetramethyl spiro[1,3-dithiole-2,4'-5,6,7,8-tetrahydrothiochromene]-2',3',4,5-tetracarboxylate"	400533	NSC712578; CHEMBL1975866; NSC-712578; NCI60_039354	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712578	.	.	.	.	472.6	C19H20O8S3	181	887	2.8	30	0	11	8	"InChI=1S/C19H20O8S3/c1-24-15(20)11-12(16(21)25-2)28-10-8-6-5-7-9(10)19(11)29-13(17(22)26-3)14(30-19)18(23)27-4/h5-8H2,1-4H3"	COC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OC)C(=O)OC)CCCC2)C(=O)OC	DUNAMSUQFBASFQ-UHFFFAOYSA-N
DG59237	"(S,S)-(+)-bis(2-chloropropyl)sulfide"	400538	"(S,S)-(+)-bis(2-chloropropyl)sulfide; CHEMBL1976017; Bis[(2S)-2-chloropropyl] sulfide; NSC712583; NSC-712583; 340168-17-4; NCI60_039358"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712583	.	.	.	.	187.13	C6H12Cl2S	25.3	60.1	2.9	9	0	1	4	"InChI=1S/C6H12Cl2S/c1-5(7)3-9-4-6(2)8/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1"	C[C@@H](CSC[C@H](C)Cl)Cl	AQHTWLYIOSPNMG-WDSKDSINSA-N
DG59238	"4-(4-Aminophenyl)-3H-1,2-dithiol-3-thione"	400550	"NSC712671; CHEMBL1988450; NSC-712671; NCI60_039366; 4-(4-Aminophenyl)-3H-1,2-dithiol-3-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712671	.	.	.	.	225.4	C9H7NS3	109	241	2.1	13	1	4	1	"InChI=1S/C9H7NS3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,10H2"	C1=CC(=CC=C1C2=CSSC2=S)N	UXARPYFFIYEWHB-UHFFFAOYSA-N
DG59239	"Diethyl 2,2-bis[2-(9-benzylpurin-6-yl)ethyl]propanedioate"	400554	NSC712675; CHEMBL1972639; NSC-712675; NCI60_039367	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712675	.	.	.	.	632.7	C35H36N8O4	140	930	4.9	47	0	10	16	"InChI=1S/C35H36N8O4/c1-3-46-33(44)35(34(45)47-4-2,17-15-27-29-31(38-21-36-27)42(23-40-29)19-25-11-7-5-8-12-25)18-16-28-30-32(39-22-37-28)43(24-41-30)20-26-13-9-6-10-14-26/h5-14,21-24H,3-4,15-20H2,1-2H3"	CCOC(=O)C(CCC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3)(CCC4=C5C(=NC=N4)N(C=N5)CC6=CC=CC=C6)C(=O)OCC	WWVMVPXVKOWTOB-UHFFFAOYSA-N
DG59240	"2,6-Dimethoxy-3-(1-methylsulfanyl-1-pyridin-2-ylethyl)sulfanylpyridine"	400560	NSC712682; CHEMBL1967166; NSC-712682; NCI60_039370	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712682	.	.	.	.	322.5	C15H18N2O2S2	94.8	322	3.4	21	0	6	6	"InChI=1S/C15H18N2O2S2/c1-15(20-4,12-7-5-6-10-16-12)21-11-8-9-13(18-2)17-14(11)19-3/h5-10H,1-4H3"	CC(C1=CC=CC=N1)(SC)SC2=C(N=C(C=C2)OC)OC	SVYIYTDPGLKOAX-UHFFFAOYSA-N
DG59241	2-Oxo-4-(beta-oxophenethyl)azetidine-1-acetic acid tert-butyl ester	400570	NSC712693; CHEMBL2006069; NSC-712693; NCI60_039374; 2-Oxo-4-(beta-oxophenethyl)azetidine-1-acetic acid tert-butyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712693	.	.	.	.	303.35	C17H21NO4	63.7	446	1.7	22	0	4	7	"InChI=1S/C17H21NO4/c1-17(2,3)22-16(21)11-18-13(10-15(18)20)9-14(19)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3"	CC(C)(C)OC(=O)CN1C(CC1=O)CC(=O)C2=CC=CC=C2	OIADQEMDTKMPCS-UHFFFAOYSA-N
DG59242	"benzyl N-[(2R,3S)-1,1,1-trifluoro-3-hydroxy-2-(4-methylphenyl)sulfanylhex-5-en-2-yl]carbamate"	400574	NSC712697; CHEMBL1976963; NSC-712697; NCI60_039375	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712697	.	.	.	.	425.5	C21H22F3NO3S	83.9	532	5.6	29	2	7	9	"InChI=1S/C21H22F3NO3S/c1-3-7-18(26)20(21(22,23)24,29-17-12-10-15(2)11-13-17)25-19(27)28-14-16-8-5-4-6-9-16/h3-6,8-13,18,26H,1,7,14H2,2H3,(H,25,27)/t18-,20+/m0/s1"	CC1=CC=C(C=C1)S[C@]([C@H](CC=C)O)(C(F)(F)F)NC(=O)OCC2=CC=CC=C2	XRCRVYIEBLZMFR-AZUAARDMSA-N
DG59243	1-(4-Methoxyphenylethynyl)-1H-benzotriazole	400577	"NSC712700; CHEMBL1979475; ZINC1865019; NSC-712700; Benzotriazole, 1-(p-methoxyphenylethynyl); NCI60_039378; 1-(4-Methoxyphenylethynyl)-1H-benzotriazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712700	.	.	.	.	249.27	C15H11N3O	39.9	364	3.3	19	0	3	3	"InChI=1S/C15H11N3O/c1-19-13-8-6-12(7-9-13)10-11-18-15-5-3-2-4-14(15)16-17-18/h2-9H,1H3"	COC1=CC=C(C=C1)C#CN2C3=CC=CC=C3N=N2	QFCMXLTZVNVKMV-UHFFFAOYSA-N
DG59244	"1,10-Dimethoxybenzo[c][1,2]benzodithiine"	400580	NSC712703; CHEMBL1967798; NSC-712703; NCI60_039379	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712703	.	.	.	.	276.4	C14H12O2S2	69.1	259	3.7	18	0	4	2	"InChI=1S/C14H12O2S2/c1-15-9-5-3-7-11-13(9)14-10(16-2)6-4-8-12(14)18-17-11/h3-8H,1-2H3"	COC1=C2C(=CC=C1)SSC3=CC=CC(=C32)OC	SQTYIYFPTCTKIO-UHFFFAOYSA-N
DG59245	"N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4,5-trimethoxyaniline"	400585	NSC712708; CHEMBL1989908; NSC-712708; NCI60_039380	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712708	.	.	.	.	345.4	C19H23NO5	58.2	395	3.4	25	1	6	6	"InChI=1S/C19H23NO5/c1-12(13-5-6-15-16(9-13)25-8-7-24-15)20-14-10-17(21-2)19(23-4)18(11-14)22-3/h5-6,9-12,20H,7-8H2,1-4H3"	CC(C1=CC2=C(C=C1)OCCO2)NC3=CC(=C(C(=C3)OC)OC)OC	AEFITKCWECUSNC-UHFFFAOYSA-N
DG59246	NSC712720	400598	"methyl (9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-4-[(4-nitrophenyl)diazenyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate; NSC712720; CHEMBL1972121; NSC-712720; NCI60_039383"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712720	.	.	.	.	605.6	C31H35N5O8	159	1220	4	44	1	12	8	"InChI=1S/C31H35N5O8/c1-6-29-12-7-14-35-15-13-30(25(29)35)21-16-22(33-32-19-8-10-20(11-9-19)36(40)41)24(42-4)17-23(21)34(3)26(30)31(39,28(38)43-5)27(29)44-18(2)37/h7-12,16-17,25-27,39H,6,13-15H2,1-5H3/t25-,26+,27+,29+,30 ,31-/m0/s1"	CC[C@@]12C=CCN3[C@@H]1C4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)N=NC6=CC=C(C=C6)[N+](=O)[O-])OC)C	DMUYZDCAUJJGNI-PAVNEANLSA-N
DG59247	NSC712724	400602	"methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-4-bromo-12-ethyl-10-hydroxy-5-methoxy-8-methyl-6-nitro-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate; NSC712724; CHEMBL1977892; NSC-712724; NCI60_039384"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712724	.	.	.	.	580.4	C25H30BrN3O8	134	1020	2.9	37	1	10	6	"InChI=1S/C25H30BrN3O8/c1-6-23-8-7-10-28-11-9-24(19(23)28)14-12-15(26)18(35-4)17(29(33)34)16(14)27(3)20(24)25(32,22(31)36-5)21(23)37-13(2)30/h7-8,12,19-21,32H,6,9-11H2,1-5H3/t19-,20+,21+,23+,24+,25-/m0/s1"	CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=C(C(=C(C=C45)Br)OC)[N+](=O)[O-])C	JAFZETPFHBUEMW-ACSXSLCXSA-N
DG59248	"2,7a-diphenyl-6,7-dihydro-5H-pyrrolo[2,1-b][1,3,4]thiadiazole-7-carbonitrile"	400615	NSC712737; CHEMBL1993261; NSC-712737; NCI60_039392	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712737	.	.	.	.	305.4	C18H15N3S	64.7	496	3.9	22	0	4	2	"InChI=1S/C18H15N3S/c19-13-16-11-12-21-18(16,15-9-5-2-6-10-15)22-17(20-21)14-7-3-1-4-8-14/h1-10,16H,11-12H2"	C1CN2C(C1C#N)(SC(=N2)C3=CC=CC=C3)C4=CC=CC=C4	YMSONQZEIIDFRD-UHFFFAOYSA-N
DG59249	"1-[(Trimethylsilyl)methyl]-4,5-bis(4-methoxyphenyl)-1H-imidazole"	400616	"NSC712738; CHEMBL1983515; NSC-712738; NCI60_039393; 1-[(Trimethylsilyl)methyl]-4,5-bis(4-methoxyphenyl)-1H-imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712738	.	.	.	.	366.5	C21H26N2O2Si	36.3	426	.	26	0	3	6	"InChI=1S/C21H26N2O2Si/c1-24-18-10-6-16(7-11-18)20-21(17-8-12-19(25-2)13-9-17)23(14-22-20)15-26(3,4)5/h6-14H,15H2,1-5H3"	COC1=CC=C(C=C1)C2=C(N(C=N2)C[Si](C)(C)C)C3=CC=C(C=C3)OC	UTVVFZUUMJWAHR-UHFFFAOYSA-N
DG59250	"1-(2-chlorophenyl)-7-methoxy-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline"	400618	NSC712740; CHEMBL1983169; NSC-712740; NCI60_039395	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712740	.	.	.	.	330.8	C17H15ClN2OS	50.1	446	3.6	22	0	3	2	"InChI=1S/C17H15ClN2OS/c1-21-12-6-7-15-11(8-12)9-20-16(19-15)10-22-17(20)13-4-2-3-5-14(13)18/h2-8,17H,9-10H2,1H3"	COC1=CC2=C(C=C1)N=C3CSC(N3C2)C4=CC=CC=C4Cl	HCTREMGMQOGJBD-UHFFFAOYSA-N
DG59251	"1-(2-chlorophenyl)-6-methoxy-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline"	400619	NSC712741; CHEMBL1973796; NSC-712741; NCI60_039396	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712741	.	.	.	.	330.8	C17H15ClN2OS	50.1	446	3.6	22	0	3	2	"InChI=1S/C17H15ClN2OS/c1-21-12-7-6-11-9-20-16(19-15(11)8-12)10-22-17(20)13-4-2-3-5-14(13)18/h2-8,17H,9-10H2,1H3"	COC1=CC2=C(CN3C(SCC3=N2)C4=CC=CC=C4Cl)C=C1	NSSLECAIIYELJZ-UHFFFAOYSA-N
DG59252	"1-(3-bromophenyl)-7-methoxy-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline"	400620	NSC712742; CHEMBL1978272; NSC-712742; NCI60_039397	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712742	.	.	.	.	375.3	C17H15BrN2OS	50.1	446	3.7	22	0	3	2	"InChI=1S/C17H15BrN2OS/c1-21-14-5-6-15-12(8-14)9-20-16(19-15)10-22-17(20)11-3-2-4-13(18)7-11/h2-8,17H,9-10H2,1H3"	COC1=CC2=C(C=C1)N=C3CSC(N3C2)C4=CC(=CC=C4)Br	BUBZFAHSDONJHM-UHFFFAOYSA-N
DG59253	"1-(2-chloro-6-nitrophenyl)-6-methoxy-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline"	400625	NSC712747; CHEMBL1996209; NSC-712747; NCI60_039402	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712747	.	.	.	.	375.8	C17H14ClN3O3S	96	558	3.4	25	0	5	2	"InChI=1S/C17H14ClN3O3S/c1-24-11-6-5-10-8-20-15(19-13(10)7-11)9-25-17(20)16-12(18)3-2-4-14(16)21(22)23/h2-7,17H,8-9H2,1H3"	COC1=CC2=C(CN3C(SCC3=N2)C4=C(C=CC=C4Cl)[N+](=O)[O-])C=C1	NETABVDJINAVFY-UHFFFAOYSA-N
DG59254	10-(Diiodomethylidene)phenanthren-9-one	400634	MLS002702485; SMR001566046; NSC712821; 10-(diiodomethylidene)phenanthren-9-one; cid_400634; CHEMBL1726134; BDBM80085; 10-(diiodomethylene)phenanthren-9-one; NSC-712821; 10-(diiodomethylidene)-9-phenanthrenone; NCI60_039405; 10-(diiodomethylene)-9(10)-phenanthrenone; 10-[bis(iodanyl)methylidene]phenanthren-9-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712821	.	.	.	.	458.03	C15H8I2O	17.1	384	5.1	18	0	1	0	InChI=1S/C15H8I2O/c16-15(17)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)18/h1-8H	C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=C(I)I	XROGIZCTZXHJRQ-UHFFFAOYSA-N
DG59255	"2,6,7-Tetramethoxy-12,12a-dihydro-9H,11H-9a-aza-cyclopenta[b]triphenylene-10,13-dione"	400635	"NSC712822; CHEMBL1989478; NSC-712822; NCI60_039406; 2,6,7-Tetramethoxy-12,12a-dihydro-9H,11H-9a-aza-cyclopenta[b]triphenylene-10,13-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712822	.	.	.	.	421.4	C24H23NO6	74.3	714	3.3	31	0	6	4	"InChI=1S/C24H23NO6/c1-28-18-7-12-13-8-19(29-2)21(31-4)10-15(13)23-16(14(12)9-20(18)30-3)11-25-17(24(23)27)5-6-22(25)26/h7-10,17H,5-6,11H2,1-4H3"	COC1=C(C=C2C(=C1)C3=C(C4=CC(=C(C=C24)OC)OC)C(=O)C5CCC(=O)N5C3)OC	OFQHMVDOZPGFQM-UHFFFAOYSA-N
DG59256	"1,4,10-Trihydroxy-10-allylanthracene-9(10H)-one"	400653	"NSC712914; CHEMBL2002737; NSC-712914; NCI60_039411; 1,4,10-Trihydroxy-10-allylanthracene-9(10H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712914	.	.	.	.	282.29	C17H14O4	77.8	435	3	21	3	4	2	"InChI=1S/C17H14O4/c1-2-9-17(21)11-6-4-3-5-10(11)16(20)14-12(18)7-8-13(19)15(14)17/h2-8,18-19,21H,1,9H2"	C=CCC1(C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)O)O)O	CGQAAGZHVCHYBN-UHFFFAOYSA-N
DG59257	"8-chloro-7-methyl-N-(4-methylphenyl)-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3-amine"	400656	NSC713018; CHEMBL1996236; ZINC01865114; NSC-713018; NCI60_039417	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713018	.	.	.	.	392.9	C16H13ClN4O2S2	111	593	4.4	25	1	6	2	"InChI=1S/C16H13ClN4O2S2/c1-9-3-5-11(6-4-9)18-15-19-20-16-21(15)25(22,23)14-7-10(2)12(17)8-13(14)24-16/h3-8H,1-2H3,(H,18,19)"	CC1=CC=C(C=C1)NC2=NN=C3N2S(=O)(=O)C4=C(S3)C=C(C(=C4)C)Cl	VOHDHBRXNPVXBN-UHFFFAOYSA-N
DG59258	"8-chloro-7-methyl-5,5-dioxo-N-phenyl-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3-amine"	400657	NSC713019; CHEMBL1975967; NSC-713019; NCI60_039418	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713019	.	.	.	.	378.9	C15H11ClN4O2S2	111	566	4	24	1	6	2	"InChI=1S/C15H11ClN4O2S2/c1-9-7-13-12(8-11(9)16)23-15-19-18-14(20(15)24(13,21)22)17-10-5-3-2-4-6-10/h2-8H,1H3,(H,17,18)"	CC1=CC2=C(C=C1Cl)SC3=NN=C(N3S2(=O)=O)NC4=CC=CC=C4	PILQBHPXSSBFKZ-UHFFFAOYSA-N
DG59259	"2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]benzenesulfonamide"	400693	NSC713048; CHEMBL1989460; SCHEMBL14075806; NSC-713048; NCI60_039425	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713048	.	.	.	.	361.4	C15H19N7O2S	149	630	0.7	25	2	9	3	"InChI=1S/C15H19N7O2S/c1-9-8-15(2,3)22(21-9)14-19-12(18-13(16)20-14)10-6-4-5-7-11(10)25(17,23)24/h4-7H,8H2,1-3H3,(H2,17,23,24)(H2,16,18,19,20)"	CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C3=CC=CC=C3S(=O)(=O)N	MKKRGJFDYSAQCQ-UHFFFAOYSA-N
DG59260	Fqa-TS	400715	"CHEMBL154276; 713079-03-9; Ir(dpm)PQ2; FQA-TS; BDBM50123621; NSC713079; NSC-713079; NCI60_039435; Bis(2-phenylquinoline)(2,2,6,6-tetramethylheptane-3,5-dionate)iridium(III); 18-[(3S)-3-Aminopyrrolidin-1-yl]-19-fluoro-22-oxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-2(15),3,5,7,9,11,13,17(25),18,20,23-undecaene-23-carboxylic acid; 6-[3-amino-(3S)-tetrahydro-1H-1-pyrrolyl]-5-fluoro-3-oxo-3H-naphtho[2,1-b]pyrido[3,2,1-kl]phenoxazine-2-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713079	.	.	.	.	481.5	C28H20FN3O4	96.1	959	2.8	36	2	8	2	"InChI=1S/C28H20FN3O4/c29-21-10-19-24-27(25(21)31-8-7-16(30)12-31)36-23-11-18-15(6-5-14-3-1-2-4-17(14)18)9-22(23)32(24)13-20(26(19)33)28(34)35/h1-6,9-11,13,16H,7-8,12,30H2,(H,34,35)/t16-/m0/s1"	C1CN(C[C@H]1N)C2=C(C=C3C4=C2OC5=C(N4C=C(C3=O)C(=O)O)C=C6C=CC7=CC=CC=C7C6=C5)F	QYQUMHWYIJBNPE-INIZCTEOSA-N
DG59261	"(R)-13-(3-aminopyrrolidin-1-yl)-12-fluoro-10-oxo-10H-naphtho[1,2-c]pyrido[3,2,1-kl]phenoxazine-9-carboxylic acid"	400718	"CHEMBL346068; BDBM50123623; NSC713082; NSC-713082; NCI60_039438; (R)-13-(3-aminopyrrolidin-1-yl)-12-fluoro-10-oxo-10H-naphtho[1,2-c]pyrido[3,2,1-kl]phenoxazine-9-carboxylic acid; 13-[3-amino-(3R)-tetrahydro-1H-1-pyrrolyl]-12-fluoro-10-oxo-10H-naphtho[1,2-c]pyrido[3,2,1-kl]phenoxazine-9-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713082	.	.	.	.	481.5	C28H20FN3O4	96.1	959	2.8	36	2	8	2	"InChI=1S/C28H20FN3O4/c29-21-11-19-23-27(24(21)31-10-9-15(30)12-31)36-26-18-6-5-14-3-1-2-4-16(14)17(18)7-8-22(26)32(23)13-20(25(19)33)28(34)35/h1-8,11,13,15H,9-10,12,30H2,(H,34,35)/t15-/m1/s1"	C1CN(C[C@@H]1N)C2=C(C=C3C4=C2OC5=C(N4C=C(C3=O)C(=O)O)C=CC6=C5C=CC7=CC=CC=C76)F	ODUKWYWEUZJFKM-OAHLLOKOSA-N
DG59262	CID 400719	400719	CHEMBL1988668; NSC713155; NSC-713155	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713155	.	.	.	.	874.1	C45H82Cl2N6O6	164	1300	.	59	6	9	26	"InChI=1S/C45H80N6O6.2ClH/c1-3-38-22-16-17-27-44(57-38)33-36-24-25-39-41(45(28-19-21-35(2)56-45)49-43(48-44)51(36)39)42(54)55-32-18-14-12-10-8-6-4-5-7-9-11-13-15-23-40(53)50(31-20-29-46)34-37(52)26-30-47;;/h16,22,35-39,41,52H,3-15,17-21,23-34,46-47H2,1-2H3,(H,48,49);2*1H/t35-,36+,37+,38+,39-,41-,44+,45-;;/m1../s1"	CC[C@H]1C=CCC[C@]2(O1)C[C@@H]3CC[C@H]4[N+]3=C(N2)N[C@]5([C@H]4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@H](CCN)O)CCC[C@H](O5)C.Cl.[Cl-]	UAMQJKWLEUINKJ-AFEMADNASA-N
DG59263	Triacetyl crambescidin 800 hydrochloride	400721	Triacetyl crambescidin 800 hydrochloride; CHEMBL1987408; NSC713156; NSC-713156	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713156	.	.	.	.	963.7	C51H87ClN6O9	177	1640	.	67	4	10	30	"InChI=1S/C51H86N6O9.ClH/c1-6-43-25-19-20-30-50(66-43)36-42-27-28-45-47(51(31-22-24-38(2)65-51)55-49(54-50)57(42)45)48(62)63-35-21-17-15-13-11-9-7-8-10-12-14-16-18-26-46(61)56(34-23-32-52-39(3)58)37-44(64-41(5)60)29-33-53-40(4)59;/h19,25,38,42-45,47H,6-18,20-24,26-37H2,1-5H3,(H3,52,53,54,55,58,59);1H/t38-,42+,43+,44+,45-,47-,50+,51-;/m1./s1"	CC[C@H]1C=CCC[C@]2(O1)C[C@@H]3CC[C@H]4[N+]3=C(N2)N[C@]5([C@H]4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCNC(=O)C)C[C@H](CCNC(=O)C)OC(=O)C)CCC[C@H](O5)C.[Cl-]	SGKDPKUVWZUIQR-OPZNHUFPSA-N
DG59264	"5,6,7,8-tetrachloro-3a,4a,8a,9a-tetrahydro-1H-cyclopenta[b][1,4]benzodioxine"	400732	NSC713165; CHEMBL1982129; NSC-713165; NCI60_039448	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713165	.	.	.	.	314	C11H8Cl4O2	18.5	454	3	17	0	2	0	"InChI=1S/C11H8Cl4O2/c12-6-7(13)9(15)11-10(8(6)14)16-4-2-1-3-5(4)17-11/h1-2,4-5,10-11H,3H2"	C1C=CC2C1OC3C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl	BKOMTPWPHGYDEO-UHFFFAOYSA-N
DG59265	[10-Cyanoimino-2-(hydroxymethyl)anthracen-9-ylidene]cyanamide	400757	NSC713188; CHEMBL1991405; NSC-713188; NCI60_039454	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713188	.	.	.	.	286.29	C17H10N4O	92.5	590	2.6	22	1	5	1	"InChI=1S/C17H10N4O/c18-9-20-16-12-3-1-2-4-13(12)17(21-10-19)15-7-11(8-22)5-6-14(15)16/h1-7,22H,8H2"	C1=CC=C2C(=C1)C(=NC#N)C3=C(C2=NC#N)C=C(C=C3)CO	RZGXRBTVXSWCLE-UHFFFAOYSA-N
DG59266	NSC713192	400761	"2-[2-[[4-[10-[10-[4-[[1,3-Bis(dicyanomethylidene)inden-2-ylidene]methyl]phenoxy]decyldisulfanyl]decoxy]phenyl]methylidene]-3-(dicyanomethylidene)inden-1-ylidene]propanedinitrile; NSC713192; CHEMBL1985903; NSC-713192; NCI60_039456"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713192	.	.	.	.	1035.3	C64H58N8O2S2	259	2220	13.4	76	0	12	27	"InChI=1S/C64H58N8O2S2/c65-39-49(40-66)61-55-21-13-14-22-56(55)62(50(41-67)42-68)59(61)37-47-25-29-53(30-26-47)73-33-17-9-5-1-3-7-11-19-35-75-76-36-20-12-8-4-2-6-10-18-34-74-54-31-27-48(28-32-54)38-60-63(51(43-69)44-70)57-23-15-16-24-58(57)64(60)52(45-71)46-72/h13-16,21-32,37-38H,1-12,17-20,33-36H2"	C1=CC=C2C(=C1)C(=C(C#N)C#N)C(=CC3=CC=C(C=C3)OCCCCCCCCCCSSCCCCCCCCCCOC4=CC=C(C=C4)C=C5C(=C(C#N)C#N)C6=CC=CC=C6C5=C(C#N)C#N)C2=C(C#N)C#N	AQRBTXBUOLCYMI-UHFFFAOYSA-N
DG59267	2-[3-(Dicyanomethylidene)-2-[[4-(10-methylsulfanyldecoxy)phenyl]methylidene]inden-1-ylidene]propanedinitrile	400762	NSC713193; CHEMBL2004926; NSC-713193; NCI60_039457	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713193	.	.	.	.	532.7	C33H32N4OS	130	1020	7.1	39	0	6	13	"InChI=1S/C33H32N4OS/c1-39-19-11-7-5-3-2-4-6-10-18-38-28-16-14-25(15-17-28)20-31-32(26(21-34)22-35)29-12-8-9-13-30(29)33(31)27(23-36)24-37/h8-9,12-17,20H,2-7,10-11,18-19H2,1H3"	CSCCCCCCCCCCOC1=CC=C(C=C1)C=C2C(=C(C#N)C#N)C3=CC=CC=C3C2=C(C#N)C#N	QUHFMUCKDBZVPB-UHFFFAOYSA-N
DG59268	NSC713196	400765	"2-[5-[5-(4,9-dioxo-3a,9a-dihydro-1H-benzo[f]benzimidazol-2-yl)pentyldisulfanyl]pentyl]-3a,9a-dihydro-1H-benzo[f]benzimidazole-4,9-dione; NSC713196; CHEMBL2006777; NSC-713196; NCI60_039459"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713196	.	.	.	.	602.8	C32H34N4O4S2	168	1040	3.6	42	2	8	13	"InChI=1S/C32H34N4O4S2/c37-29-19-11-5-6-12-20(19)30(38)26-25(29)33-23(34-26)15-3-1-9-17-41-42-18-10-2-4-16-24-35-27-28(36-24)32(40)22-14-8-7-13-21(22)31(27)39/h5-8,11-14,25-28H,1-4,9-10,15-18H2,(H,33,34)(H,35,36)"	C1=CC=C2C(=C1)C(=O)C3C(C2=O)N=C(N3)CCCCCSSCCCCCC4=NC5C(N4)C(=O)C6=CC=CC=C6C5=O	UDMROSGADNIYNT-UHFFFAOYSA-N
DG59269	"Benzo[g]quinoxaline-2, 5,10-dihydro-5,10-dioxo-, diethyl ester"	400766	"NSC713197; CHEMBL1976656; NSC-713197; NCI60_039460; Benzo[g]quinoxaline-2, 5,10-dihydro-5,10-dioxo-, diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713197	.	.	.	.	354.3	C18H14N2O6	113	555	2.5	26	0	8	6	"InChI=1S/C18H14N2O6/c1-3-25-17(23)13-14(18(24)26-4-2)20-12-11(19-13)15(21)9-7-5-6-8-10(9)16(12)22/h5-8H,3-4H2,1-2H3"	CCOC(=O)C1=NC2=C(C(=O)C3=CC=CC=C3C2=O)N=C1C(=O)OCC	JSQYFPHYSOZLPT-UHFFFAOYSA-N
DG59270	Bardoxolone methyl	400769	"Bardoxolone methyl; 218600-53-4; CDDO-Me; CDDO methyl ester; RTA 402; NSC 713200; NSC713200; RTA402; methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate; RTA-402; UNII-CEG1Q6OGU1; TP-155; CEG1Q6OGU1; NSC-713200; methyl (4aS,6aR,6bS,12aS,14aR,14bR)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate; bardoxolone-methyl; (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-methyl 11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-octadecahydropicene-4a-carboxylate; CDDO-Methyl ester; methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate; NCGC00186460-01; Bardoxolone (methyl); Bardoxolone methyl ester; CDDO-Me, 2; Bardoxolone methyl [USAN]; DSSTox_CID_28690; DSSTox_RID_82960; DSSTox_GSID_48764; methyl 2-cyano-3,12-dioxoolean-1,9-dien-28-oate; Bardoxolone Methyl (CDDO-Me); GTPL3443; Bardoxolone methyl (JAN/USAN); CHEMBL1762621; DTXSID5048764; SCHEMBL12521530; AOB1215; CHEBI:177406; 2-cyano-3,12-dioxoolean-1,9-dien-28-oic acid methyl ester; 2-cyano-3,12-dioxooleana-1,9-dien-28-oic acid methyl ester; BDBM217379; BCP04660; ZINC3982151; Tox21_113229; 2-Cyano-3,12-dioxooleana-1,9(11)-dien-28-oic Acid Methyl Ester; s8078; AKOS025401880; ACN-035790; CCG-269743; CS-0598; DB05983; CDDO Methyl Ester, >=98% (HPLC); AC-26830; CSA:218600-53-4;Bardoxolone methyl; HY-13324; CAS-218600-53-4; D09585; NSC 713200; RTA 402; CDDO Methyl ester; A847580; Q4860208; (+)-methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate; (4aS,6aR,6bS,8aR,12aS,14bS)-Methyl 11-cyano-2,2,6a,6b,9,9,12a-he; Oleana-1,9(11)-dien-28-oic acid, 2-cyano-3,12-dioxo-, methyl ester; RTA-402; ; ; NSC-713200; ; ; CDDO methyl ester; ; ; 2-Cyano-3,12-dioxoolean-1,9-dien-28-oic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713200	.	.	.	.	505.7	C32H43NO4	84.2	1210	6.7	37	0	5	2	"InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1"	C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)OC	WPTTVJLTNAWYAO-KPOXMGGZSA-N
DG59271	"3-[8-(Tritylthio)octyl]-10-ethylbenzo[g]pteridine-2,4(3H,10H)-dione"	400770	"NSC713201; CHEMBL1976002; NSC-713201; NCI60_039463; 3-[8-(Tritylthio)octyl]-10-ethylbenzo[g]pteridine-2,4(3H,10H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713201	.	.	.	.	628.8	C39H40N4O2S	90.6	1030	8.9	46	0	4	14	"InChI=1S/C39H40N4O2S/c1-2-42-34-27-17-16-26-33(34)40-35-36(42)41-38(45)43(37(35)44)28-18-5-3-4-6-19-29-46-39(30-20-10-7-11-21-30,31-22-12-8-13-23-31)32-24-14-9-15-25-32/h7-17,20-27H,2-6,18-19,28-29H2,1H3"	CCN1C2=CC=CC=C2N=C3C1=NC(=O)N(C3=O)CCCCCCCCSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6	TUGPXUWGMWKRPZ-UHFFFAOYSA-N
DG59272	"3,3'-Ethylenebis[6-[(4-chlorophenoxy)methyl]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole]"	400782	"NSC713288; CHEMBL1992549; NSC-713288; NCI60_039468; 3,3'-Ethylenebis[6-[(4-chlorophenoxy)methyl]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713288	.	.	.	.	559.5	C22H16Cl2N8O2S2	161	664	5.1	36	0	10	9	"InChI=1S/C22H16Cl2N8O2S2/c23-13-1-5-15(6-2-13)33-11-19-29-31-17(25-27-21(31)35-19)9-10-18-26-28-22-32(18)30-20(36-22)12-34-16-7-3-14(24)4-8-16/h1-8H,9-12H2"	C1=CC(=CC=C1OCC2=NN3C(=NN=C3S2)CCC4=NN=C5N4N=C(S5)COC6=CC=C(C=C6)Cl)Cl	KJEQPDXCVHAKAK-UHFFFAOYSA-N
DG59273	"7-[5-(3-Chloro-4-fluorophenyl)furan-2-yl]-3-[(4-chlorophenyl)methyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one"	400796	NSC713302; CHEMBL1994772; NSC-713302; NCI60_039476	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713302	.	.	.	.	473.3	C21H11Cl2FN4O2S	95.8	817	5.9	31	0	7	4	"InChI=1S/C21H11Cl2FN4O2S/c22-13-4-1-11(2-5-13)9-16-20(29)28-21(26-25-16)31-19(27-28)18-8-7-17(30-18)12-3-6-15(24)14(23)10-12/h1-8,10H,9H2"	C1=CC(=CC=C1CC2=NN=C3N(C2=O)N=C(S3)C4=CC=C(O4)C5=CC(=C(C=C5)F)Cl)Cl	HJOSOBRZSWCEAK-UHFFFAOYSA-N
DG59274	"(4-chlorophenyl)-[5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-3-(4-methoxyphenyl)-4H-pyrazol-1-yl]methanone"	400818	NSC713324; CHEMBL1996855; NSC-713324; NCI60_039486	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713324	.	.	.	.	493.7	C23H16Cl3FN2O3	62.1	713	6.1	32	1	5	4	"InChI=1S/C23H16Cl3FN2O3/c1-32-16-8-4-13(5-9-16)21-12-23(31,17-10-20(27)19(26)11-18(17)25)29(28-21)22(30)14-2-6-15(24)7-3-14/h2-11,31H,12H2,1H3"	COC1=CC=C(C=C1)C2=NN(C(C2)(C3=CC(=C(C=C3Cl)Cl)F)O)C(=O)C4=CC=C(C=C4)Cl	YFRMOZFLJICFKQ-UHFFFAOYSA-N
DG59275	"(4-chlorophenyl)-[5-(2,4-dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone"	400820	NSC713326; CHEMBL1991397; NSC-713326; NCI60_039488	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713326	.	.	.	.	523.799	C24H18Cl3FN2O4	71.4	769	6.1	34	1	6	5	"InChI=1S/C24H18Cl3FN2O4/c1-33-21-8-5-14(9-22(21)34-2)20-12-24(32,16-10-19(28)18(27)11-17(16)26)30(29-20)23(31)13-3-6-15(25)7-4-13/h3-11,32H,12H2,1-2H3"	COC1=C(C=C(C=C1)C2=NN(C(C2)(C3=CC(=C(C=C3Cl)Cl)F)O)C(=O)C4=CC=C(C=C4)Cl)OC	IHJZVNYULAZNOD-UHFFFAOYSA-N
DG59276	"2,2'-Ethylenebis[5-[5-(4-chlorophenyl)-2-furanyl]-1,3,4-oxadiazole]"	400828	"NSC713334; SCHEMBL1544000; CHEMBL1983670; NSC-713334; NCI60_039490; 2,2'-Ethylenebis[5-[5-(4-chlorophenyl)-2-furanyl]-1,3,4-oxadiazole]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713334	.	.	.	.	519.299	C26H16Cl2N4O4	104	651	6	36	0	8	7	"InChI=1S/C26H16Cl2N4O4/c27-17-5-1-15(2-6-17)19-9-11-21(33-19)25-31-29-23(35-25)13-14-24-30-32-26(36-24)22-12-10-20(34-22)16-3-7-18(28)8-4-16/h1-12H,13-14H2"	C1=CC(=CC=C1C2=CC=C(O2)C3=NN=C(O3)CCC4=NN=C(O4)C5=CC=C(O5)C6=CC=C(C=C6)Cl)Cl	RUVPWBHMDHPEES-UHFFFAOYSA-N
DG59277	"2-Butyne,4-bis(phenylsulfonyl)-"	400843	"NSC713368; CHEMBL1983974; SCHEMBL10825831; 2-Butyne,4-bis(phenylsulfonyl)-; NSC-713368; NCI60_039494"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713368	.	.	.	.	334.4	C16H14O4S2	85	557	2.2	22	0	4	4	"InChI=1S/C16H14O4S2/c17-21(18,15-9-3-1-4-10-15)13-7-8-14-22(19,20)16-11-5-2-6-12-16/h1-6,9-12H,13-14H2"	C1=CC=C(C=C1)S(=O)(=O)CC#CCS(=O)(=O)C2=CC=CC=C2	WWLQHAQPJMNZBH-UHFFFAOYSA-N
DG59278	"1-[[2-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine"	400868	NSC713546; NSC-713546; NCI60_039501	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713546	.	.	.	.	461.9	C25H27ClF3N3	21.1	624	6.5	32	0	5	4	"InChI=1S/C25H27ClF3N3/c26-20-9-6-17(7-10-20)14-24-30-21-15-19(25(27,28)29)8-11-23(21)32(24)16-18-4-3-13-31-12-2-1-5-22(18)31/h6-11,15,18,22H,1-5,12-14,16H2"	C1CCN2CCCC(C2C1)CN3C4=C(C=C(C=C4)C(F)(F)F)N=C3CC5=CC=C(C=C5)Cl	IZLWCYZKYDWQIK-UHFFFAOYSA-N
DG59279	"1-[[2-[(3,4-dichlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine"	400869	NSC713547; NSC-713547; NCI60_039502	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713547	.	.	.	.	496.4	C25H26Cl2F3N3	21.1	665	7.2	33	0	5	4	"InChI=1S/C25H26Cl2F3N3/c26-19-8-6-16(12-20(19)27)13-24-31-21-14-18(25(28,29)30)7-9-23(21)33(24)15-17-4-3-11-32-10-2-1-5-22(17)32/h6-9,12,14,17,22H,1-5,10-11,13,15H2"	C1CCN2CCCC(C2C1)CN3C4=C(C=C(C=C4)C(F)(F)F)N=C3CC5=CC(=C(C=C5)Cl)Cl	UCPNERUEYRHMHX-UHFFFAOYSA-N
DG59280	"1-[[5,6-dichloro-2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine"	400870	NSC713548; NSC-713548; NCI60_039503	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713548	.	.	.	.	462.8	C24H26Cl3N3	21.1	570	6.9	30	0	2	4	"InChI=1S/C24H26Cl3N3/c25-18-8-6-16(7-9-18)12-24-28-21-13-19(26)20(27)14-23(21)30(24)15-17-4-3-11-29-10-2-1-5-22(17)29/h6-9,13-14,17,22H,1-5,10-12,15H2"	C1CCN2CCCC(C2C1)CN3C4=CC(=C(C=C4N=C3CC5=CC=C(C=C5)Cl)Cl)Cl	YMHLYVNMSKUMPA-UHFFFAOYSA-N
DG59281	"1-[[5,6-dichloro-2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine"	400871	NSC713549; NSC-713549; NCI60_039504	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713549	.	.	.	.	497.3	C24H25Cl4N3	21.1	609	7.5	31	0	2	4	"InChI=1S/C24H25Cl4N3/c25-17-7-6-15(10-18(17)26)11-24-29-21-12-19(27)20(28)13-23(21)31(24)14-16-4-3-9-30-8-2-1-5-22(16)30/h6-7,10,12-13,16,22H,1-5,8-9,11,14H2"	C1CCN2CCCC(C2C1)CN3C4=CC(=C(C=C4N=C3CC5=CC(=C(C=C5)Cl)Cl)Cl)Cl	FCEWISVPFUXPPJ-UHFFFAOYSA-N
DG59282	"1-[[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride"	400872	NSC713550; NSC-713550	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713550	.	.	.	.	449.9	C24H27ClF3N3	21.1	577	.	31	1	5	3	"InChI=1S/C24H26F3N3.ClH/c25-24(26,27)19-11-12-22-20(15-19)28-23(17-7-2-1-3-8-17)30(22)16-18-9-6-14-29-13-5-4-10-21(18)29;/h1-3,7-8,11-12,15,18,21H,4-6,9-10,13-14,16H2;1H"	C1CCN2CCCC(C2C1)CN3C4=C(C=C(C=C4)C(F)(F)F)N=C3C5=CC=CC=C5.Cl	UWECIZBUMZRNQD-UHFFFAOYSA-N
DG59283	"1-[[2-(4-chlorophenyl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride"	400874	NSC713551; NSC-713551	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713551	.	.	.	.	484.4	C24H26Cl2F3N3	21.1	609	.	32	1	5	3	"InChI=1S/C24H25ClF3N3.ClH/c25-19-9-6-16(7-10-19)23-29-20-14-18(24(26,27)28)8-11-22(20)31(23)15-17-4-3-13-30-12-2-1-5-21(17)30;/h6-11,14,17,21H,1-5,12-13,15H2;1H"	C1CCN2CCCC(C2C1)CN3C4=C(C=C(C=C4)C(F)(F)F)N=C3C5=CC=C(C=C5)Cl.Cl	XWNZYGQCXBJZOG-UHFFFAOYSA-N
DG59284	"6-Butyl-5,6-dihydrobenzimidazo[2,1-a]isoquinoline"	400885	"NSC713560; 6-butyl-5,6-dihydrobenzimidazo[2,1-a]isoquinoline; CHEMBL1992232; NSC-713560; NCI60_039510"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713560	.	.	.	.	276.4	C19H20N2	17.8	356	4.9	21	0	1	3	"InChI=1S/C19H20N2/c1-2-3-9-15-13-14-8-4-5-10-16(14)19-20-17-11-6-7-12-18(17)21(15)19/h4-8,10-12,15H,2-3,9,13H2,1H3"	CCCCC1CC2=CC=CC=C2C3=NC4=CC=CC=C4N13	NAWHTNIQMXZZIH-UHFFFAOYSA-N
DG59285	"6-Butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium;iodide"	400886	NSC713561; CHEMBL1981942; NSC-713561	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713561	.	.	.	.	418.3	C20H23IN2	8.8	382	.	23	0	1	3	"InChI=1S/C20H23N2.HI/c1-3-4-10-16-14-15-9-5-6-11-17(15)20-21(2)18-12-7-8-13-19(18)22(16)20;/h5-9,11-13,16H,3-4,10,14H2,1-2H3;1H/q+1;/p-1"	CCCCC1CC2=CC=CC=C2C3=[N+](C4=CC=CC=C4N13)C.[I-]	HCWJJPYTOUWGAG-UHFFFAOYSA-M
DG59286	NSC713587	400903	"1,5-c]pyrrole-5-carboxylic acid, tetrahydro-2,2-dimethyl-4-[[4-(1,1-dimethylethoxy)-2-[(2-propenoxy)carbonyl]-1-pyrrolidinyl]carbonyl]-,[(9H-fluoren-9-yl)methyl] ester; NSC713587; CHEMBL1969029; NSC-713587; NCI60_039513; 1,5-c]pyrrole-5-carboxylic acid, tetrahydro-2,2-dimethyl-4-[[4-(1,1-dimethylethoxy)- 2-[(2-propenoxy)carbonyl]-1-pyrrolidinyl]carbonyl]-,[(9H-fluoren-9-yl)methyl] ester; 5H-1,5-c]pyrrole-5-carboxylic acid, 4-[[4-(1,1- dimethylethoxy)-2-[(2-propenoxy)carbonyl- 1-pyrrolidinyl] carbonyl]-tetrahydro-2,2-dimethyl-, [(9H-fluoren-9-yl) methyl]ester, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713587	.	.	.	.	618.7	C35H42N2O8	104	1110	4.5	45	0	8	10	"InChI=1S/C35H42N2O8/c1-7-16-41-32(39)27-17-21(43-34(2,3)4)18-36(27)31(38)29-30-28(44-35(5,6)45-30)19-37(29)33(40)42-20-26-24-14-10-8-12-22(24)23-13-9-11-15-25(23)26/h7-15,21,26-30H,1,16-20H2,2-6H3/t21-,27+,28+,29+,30+/m1/s1"	CC1(O[C@H]2CN([C@@H]([C@H]2O1)C(=O)N3C[C@@H](C[C@H]3C(=O)OCC=C)OC(C)(C)C)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C	CZCKXAZMAHKTKM-JNYCSLRCSA-N
DG59287	"4-methyl-N-[(4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]aniline"	400924	"NSC713608; CHEMBL1987142; 4-methyl-N-[(4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]aniline; NSC-713608; NCI60_039522; 1-(4-Methylphenylaminomethyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline; (4-Methylphenyl)[(4-phenyl(10-hydro-1,2,4-triazolo[4,3-a]quinoxalinyl))methyl]amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713608	.	.	.	.	365.4	C23H19N5	55.1	499	5.1	28	1	4	4	"InChI=1S/C23H19N5/c1-16-11-13-18(14-12-16)24-15-21-26-27-23-22(17-7-3-2-4-8-17)25-19-9-5-6-10-20(19)28(21)23/h2-14,24H,15H2,1H3"	CC1=CC=C(C=C1)NCC2=NN=C3N2C4=CC=CC=C4N=C3C5=CC=CC=C5	IULVBMURKJVAFA-UHFFFAOYSA-N
DG59288	2-[3-(2-Cyanophenyl)-2-hydroxy-2-methylpropyl]benzonitrile	400932	NSC713616; CHEMBL1991939; NSC-713616; NCI60_039525	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713616	.	.	.	.	276.3	C18H16N2O	67.8	403	3.1	21	1	3	4	"InChI=1S/C18H16N2O/c1-18(21,10-14-6-2-4-8-16(14)12-19)11-15-7-3-5-9-17(15)13-20/h2-9,21H,10-11H2,1H3"	CC(CC1=CC=CC=C1C#N)(CC2=CC=CC=C2C#N)O	MMHSTDIABBNAHE-UHFFFAOYSA-N
DG59289	NSC713672	400979	"3-[6,13-Dichloro-3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one; NSC713672; CHEMBL2002679; NSC-713672; NCI60_039543"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713672	.	.	.	.	741.6	C36H22Cl2N4O6S2	175	1450	6.9	50	2	10	4	"InChI=1S/C36H22Cl2N4O6S2/c37-29-32-34(48-26-14-18(10-12-22(26)40-32)42-28(46)16-50-36(42)20-6-2-4-8-24(20)44)30(38)31-33(29)47-25-13-17(9-11-21(25)39-31)41-27(45)15-49-35(41)19-5-1-3-7-23(19)43/h1-14,35-36,43-44H,15-16H2"	C1C(=O)N(C(S1)C2=CC=CC=C2O)C3=CC4=C(C=C3)N=C5C(=C(C6=NC7=C(C=C(C=C7)N8C(SCC8=O)C9=CC=CC=C9O)OC6=C5Cl)Cl)O4	FPEDOGBHCJYZEI-UHFFFAOYSA-N
DG59290	NSC713673	400980	"3-[6,13-Dichloro-3-[2-(3-ethoxy-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]-2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidin-4-one; NSC713673; CHEMBL1999488; NSC-713673; NCI60_039544"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713673	.	.	.	.	829.7	C40H30Cl2N4O8S2	193	1580	7.6	56	2	12	8	"InChI=1S/C40H30Cl2N4O8S2/c1-3-51-29-13-19(5-11-25(29)47)39-45(31(49)17-55-39)21-7-9-23-27(15-21)53-37-33(41)36-38(34(42)35(37)43-23)54-28-16-22(8-10-24(28)44-36)46-32(50)18-56-40(46)20-6-12-26(48)30(14-20)52-4-2/h5-16,39-40,47-48H,3-4,17-18H2,1-2H3"	CCOC1=C(C=CC(=C1)C2N(C(=O)CS2)C3=CC4=C(C=C3)N=C5C(=C(C6=NC7=C(C=C(C=C7)N8C(SCC8=O)C9=CC(=C(C=C9)O)OCC)OC6=C5Cl)Cl)O4)O	RGLGTQXNYMVLFA-UHFFFAOYSA-N
DG59291	"2-(4,6-Dimethyl-1,3-dioxo-5-phenylpyrrolo[3,4-c]pyrrol-2-yl)ethyl carbamimidothioate"	401025	NSC713730; CHEMBL1974534; NSC-713730; NCI60_039568	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713730	.	.	.	.	342.4	C17H18N4O2S	118	507	2	24	2	4	5	"InChI=1S/C17H18N4O2S/c1-10-13-14(11(2)21(10)12-6-4-3-5-7-12)16(23)20(15(13)22)8-9-24-17(18)19/h3-7H,8-9H2,1-2H3,(H3,18,19)"	CC1=C2C(=C(N1C3=CC=CC=C3)C)C(=O)N(C2=O)CCSC(=N)N	MNPPPERJUFSYBS-UHFFFAOYSA-N
DG59292	"4,6-Dimethyl-5-phenyl-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolo[3,4-c]pyrrole-1,3-dione"	401045	NSC713750; CHEMBL1977279; NSC-713750; NCI60_039573	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713750	.	.	.	.	496.5	C27H27F3N4O2	48.8	781	4.6	36	0	7	5	"InChI=1S/C27H27F3N4O2/c1-18-23-24(19(2)34(18)21-8-4-3-5-9-21)26(36)33(25(23)35)16-13-31-11-14-32(15-12-31)22-10-6-7-20(17-22)27(28,29)30/h3-10,17H,11-16H2,1-2H3"	CC1=C2C(=C(N1C3=CC=CC=C3)C)C(=O)N(C2=O)CCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F	FOCQFXLBUXZNBB-UHFFFAOYSA-N
DG59293	"2-[2-Hydroxy-3-(1,2,3,4-tetrahydroisoquinoline-2-yl)propyl]-4,6-dimethyl-5-butylpyrrolo[3,4-c]pyrrole-1,3(2H,5H)-dione"	401047	"NSC713752; CHEMBL2002422; NSC-713752; NCI60_039574; 2-[2-Hydroxy-3-(1,2,3,4-tetrahydroisoquinoline-2-yl)propyl]-4,6-dimethyl-5-butylpyrrolo[3,4-c]pyrrole-1,3(2H,5H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713752	.	.	.	.	409.5	C24H31N3O3	65.8	613	2.6	30	1	4	7	"InChI=1S/C24H31N3O3/c1-4-5-11-26-16(2)21-22(17(26)3)24(30)27(23(21)29)15-20(28)14-25-12-10-18-8-6-7-9-19(18)13-25/h6-9,20,28H,4-5,10-15H2,1-3H3"	CCCCN1C(=C2C(=C1C)C(=O)N(C2=O)CC(CN3CCC4=CC=CC=C4C3)O)C	BABRJAPXMIIIDA-UHFFFAOYSA-N
DG59294	"2-(S)-Mercapto-4-(3,4-trimethylhydantoyl)-butanoyl-L-leucyl-L-t-leucinyl-N-methylamide"	401057	"SCHEMBL12946005; NSC713763; NSC-713763; NCI60_039578; 2-(S)-Mercapto-4-(3,4-trimethylhydantoyl)-butanoyl-L-leucyl-L-t-leucinyl-N-methylamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713763	.	.	.	.	499.7	C23H41N5O5S	129	808	2.1	34	4	6	11	"InChI=1S/C23H41N5O5S/c1-13(2)12-14(17(29)26-16(19(31)24-8)22(3,4)5)25-18(30)15(34)10-11-28-20(32)23(6,7)27(9)21(28)33/h13-16,34H,10-12H2,1-9H3,(H,24,31)(H,25,30)(H,26,29)/t14-,15-,16 /m0/s1"	CC(C)C[C@@H](C(=O)NC(C(=O)NC)C(C)(C)C)NC(=O)[C@H](CCN1C(=O)C(N(C1=O)C)(C)C)S	GTXSRFUZSLTDFX-KSCSMHSMSA-N
DG59295	"14-Hydroxyhypocretenolide-beta-D-glucoside-4',14''-hydroxy hypocretenoate"	401063	"NSC713791; CHEMBL1976273; NSC-713791; NCI60_039581; 14-Hydroxyhypocretenolide-.beta.-D-glucoside-4',14''-hydroxy hypocretenoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713791	.	.	.	.	686.7	C36H46O13	206	1500	-0.5	49	5	13	9	"InChI=1S/C36H46O13/c1-16-9-24(39)27-22(13-37)7-5-20(11-35(16,27)45)18(3)32(43)48-31-26(14-38)47-34(30(42)29(31)41)46-15-23-8-6-21-12-36(49-33(44)19(21)4)17(2)10-25(40)28(23)36/h9-10,20-23,26-31,34,37-38,41-42,45H,3-8,11-15H2,1-2H3/t20-,21-,22 ,23 ,26 ,27 ,28 ,29 ,30 ,31 ,34 ,35+,36+/m1/s1"	CC1=CC(=O)C2[C@@]1(C[C@@H](CCC2CO)C(=C)C(=O)OC3C(OC(C(C3O)O)OCC4CC[C@@H]5C[C@]6(C4C(=O)C=C6C)OC(=O)C5=C)CO)O	FGLVTFPWKJXSIU-UFHOAEAISA-N
DG59296	"2-(3,3a,4,8b-tetrahydro-1H-pyrrolo[3,4-b]indol-2-ylmethyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one"	401087	NSC713910; CHEMBL2004870; NSC-713910; NCI60_039596	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713910	.	.	.	.	352.5	C19H20N4OS	73.8	546	3	25	1	5	2	"InChI=1S/C19H20N4OS/c1-11-7-12(2)20-18-17(11)19(24)23(25-18)10-22-8-14-13-5-3-4-6-15(13)21-16(14)9-22/h3-7,14,16,21H,8-10H2,1-2H3"	CC1=CC(=NC2=C1C(=O)N(S2)CN3CC4C(C3)NC5=CC=CC=C45)C	WPBHZIGUJVFMIY-UHFFFAOYSA-N
DG59297	"2-[2-Hydroxy-3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one"	401088	NSC713911; CHEMBL2003698; NSC-713911; NCI60_039597	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713911	.	.	.	.	410.5	C19H30N4O4S	115	506	-0.1	28	2	8	9	"InChI=1S/C19H30N4O4S/c1-14-11-15(2)20-18-17(14)19(26)23(28-18)13-16(25)12-22-5-3-21(4-6-22)7-9-27-10-8-24/h11,16,24-25H,3-10,12-13H2,1-2H3"	CC1=CC(=NC2=C1C(=O)N(S2)CC(CN3CCN(CC3)CCOCCO)O)C	RVADDVIDKKPOOW-UHFFFAOYSA-N
DG59298	"Isothiazolo[5,4-b]pyridin-3(2H)-one, 2-[2-hydroxy-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4,6-dimethyl-"	401092	"NSC713915; CHEMBL1985791; NSC-713915; Isothiazolo[5,4-b]pyridin-3(2H)-one, 2-[2-hydroxy-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4,6-dimethyl-; NCI60_039601; 2-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,6-dimethyl-isothiazolo[5,4-b]pyridin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713915	.	.	.	.	400.5	C19H24N6O2S	111	541	1.1	28	1	8	5	"InChI=1S/C19H24N6O2S/c1-13-10-14(2)22-17-16(13)18(27)25(28-17)12-15(26)11-23-6-8-24(9-7-23)19-20-4-3-5-21-19/h3-5,10,15,26H,6-9,11-12H2,1-2H3"	CC1=CC(=NC2=C1C(=O)N(S2)CC(CN3CCN(CC3)C4=NC=CC=N4)O)C	YTMCMILIVNHTJG-UHFFFAOYSA-N
DG59299	"[1-(4,6-Dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] acetate"	401094	NSC713917; CHEMBL1966985; NSC-713917; NCI60_039602	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713917	.	.	.	.	441.5	C22H27N5O3S	104	645	2.3	31	0	8	7	"InChI=1S/C22H27N5O3S/c1-15-12-16(2)24-21-20(15)22(29)27(31-21)14-18(30-17(3)28)13-25-8-10-26(11-9-25)19-6-4-5-7-23-19/h4-7,12,18H,8-11,13-14H2,1-3H3"	CC1=CC(=NC2=C1C(=O)N(S2)CC(CN3CCN(CC3)C4=CC=CC=N4)OC(=O)C)C	PEJBOYJTKDNYMR-UHFFFAOYSA-N
DG59300	"4-Amino-6-(4-chlorophenyl)-14-nitro-3-oxatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),4,12,14-pentaene-5-carbonitrile"	401106	NSC714000; CHEMBL1987780; NSC-714000; NCI60_039607	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714000	.	.	.	.	393.8	C21H16ClN3O3	105	755	4.6	28	1	5	1	"InChI=1S/C21H16ClN3O3/c22-14-7-4-13(5-8-14)19-16-3-1-2-12-6-9-15(25(26)27)10-17(12)20(16)28-21(24)18(19)11-23/h4-10,19H,1-3,24H2"	C1CC2=C(C=C(C=C2)[N+](=O)[O-])C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=C(C=C4)Cl	WURHFSXAVRLWIS-UHFFFAOYSA-N
DG59301	"(1R,2S,6R,7S)-4-(2,5-ditert-butylphenyl)-2-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione"	401154	NSC714122; CHEMBL1971502; NSC-714122; NCI60_039624	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714122	.	.	.	.	365.5	C24H31NO2	37.4	694	5.5	27	0	2	3	"InChI=1S/C24H31NO2/c1-22(2,3)15-10-11-17(23(4,5)6)18(13-15)25-20(26)19-14-8-9-16(12-14)24(19,7)21(25)27/h8-11,13-14,16,19H,12H2,1-7H3/t14-,16+,19+,24+/m1/s1"	C[C@]12[C@@H]3C[C@H]([C@H]1C(=O)N(C2=O)C4=C(C=CC(=C4)C(C)(C)C)C(C)(C)C)C=C3	RSTSNKZFTDWTIK-HDCSMFLBSA-N
DG59302	"2-(2,5-Ditert-butylphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydro-2H-isoindole-1,3-dione"	401155	"NSC714123; CHEMBL1964639; NSC-714123; NCI60_039625; 2-(2,5-Ditert-butylphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydro-2H-isoindole-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714123	.	.	.	.	367.5	C24H33NO2	37.4	629	5.1	27	0	2	3	"InChI=1S/C24H33NO2/c1-14-11-17-18(12-15(14)2)22(27)25(21(17)26)20-13-16(23(3,4)5)9-10-19(20)24(6,7)8/h9-10,13,17-18H,11-12H2,1-8H3"	CC1=C(CC2C(C1)C(=O)N(C2=O)C3=C(C=CC(=C3)C(C)(C)C)C(C)(C)C)C	BLRBFXKWWFDGCB-UHFFFAOYSA-N
DG59303	"8-(2,5-Dimethoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine"	401166	NSC714362; CHEMBL1991133; NSC-714362; NCI60_039636	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714362	.	.	.	.	351.4	C19H21N5O2	109	481	2.6	26	2	7	3	"InChI=1S/C19H21N5O2/c1-25-12-4-6-15(26-2)14(8-12)10-3-5-13-11(7-10)9-22-18-16(13)17(20)23-19(21)24-18/h4,6,8-10H,3,5,7H2,1-2H3,(H4,20,21,22,23,24)"	COC1=CC(=C(C=C1)OC)C2CCC3=C4C(=NC(=NC4=NC=C3C2)N)N	BGIKLMHTODEELV-UHFFFAOYSA-N
DG59304	"Pyrimido[4,4-diamine, 7-(2,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-"	401167	"NSC714363; CHEMBL1978967; ZINC04632887; NSC-714363; NCI60_039637; Pyrimido[4,4-diamine, 7-(2,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714363	.	.	.	.	351.4	C19H21N5O2	109	481	2.5	26	2	7	3	"InChI=1S/C19H21N5O2/c1-25-12-4-6-16(26-2)13(9-12)10-3-5-15-11(7-10)8-14-17(20)23-19(21)24-18(14)22-15/h4,6,8-10H,3,5,7H2,1-2H3,(H4,20,21,22,23,24)"	COC1=CC(=C(C=C1)OC)C2CCC3=NC4=NC(=NC(=C4C=C3C2)N)N	QJVOFYKQGZCPMC-UHFFFAOYSA-N
DG59305	"8-Phenyl-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine"	401168	NSC714364; CHEMBL1987105; NSC-714364; NCI60_039638	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714364	.	.	.	.	291.35	C17H17N5	90.7	383	2.7	22	2	5	1	"InChI=1S/C17H17N5/c18-15-14-13-7-6-11(10-4-2-1-3-5-10)8-12(13)9-20-16(14)22-17(19)21-15/h1-5,9,11H,6-8H2,(H4,18,19,20,21,22)"	C1CC2=C3C(=NC(=NC3=NC=C2CC1C4=CC=CC=C4)N)N	RWUPGPLQDZWOTO-UHFFFAOYSA-N
DG59306	"8-(4-Methoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine"	401169	NSC714365; CHEMBL2004591; ZINC04632889; NSC-714365; NCI60_039639	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714365	.	.	.	.	321.4	C18H19N5O	99.9	428	2.7	24	2	6	2	"InChI=1S/C18H19N5O/c1-24-13-5-2-10(3-6-13)11-4-7-14-12(8-11)9-21-17-15(14)16(19)22-18(20)23-17/h2-3,5-6,9,11H,4,7-8H2,1H3,(H4,19,20,21,22,23)"	COC1=CC=C(C=C1)C2CCC3=C4C(=NC(=NC4=NC=C3C2)N)N	GPEFGEOGGKITPQ-UHFFFAOYSA-N
DG59307	"7-(4-Methoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine"	401170	NSC714366; CHEMBL1996059; NSC-714366; NCI60_039640	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714366	.	.	.	.	321.4	C18H19N5O	99.9	428	2.5	24	2	6	2	"InChI=1S/C18H19N5O/c1-24-13-5-2-10(3-6-13)11-4-7-15-12(8-11)9-14-16(19)22-18(20)23-17(14)21-15/h2-3,5-6,9,11H,4,7-8H2,1H3,(H4,19,20,21,22,23)"	COC1=CC=C(C=C1)C2CCC3=NC4=NC(=NC(=C4C=C3C2)N)N	BFESUMGCEMLGDM-UHFFFAOYSA-N
DG59308	Meridianin D	401171	"Meridianin D; 213473-01-9; 2-Pyrimidinamine, 4-(6-bromo-1H-indol-3-yl)-; 4-(6-bromo-1H-indol-3-yl)pyrimidin-2-amine; NSC714369; CHEMBL46440; SCHEMBL23539138; BDBM10841; DTXSID20328011; NSC-714369; NCI60_039641"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714369	.	.	.	.	289.13	C12H9BrN4	67.6	275	2.3	17	2	3	1	"InChI=1S/C12H9BrN4/c13-7-1-2-8-9(6-16-11(8)5-7)10-3-4-15-12(14)17-10/h1-6,16H,(H2,14,15,17)"	C1=CC2=C(C=C1Br)NC=C2C3=NC(=NC=C3)N	VBPYLWZBNRFLEM-UHFFFAOYSA-N
DG59309	dehydrotamandarin-A	401172	"dehydrotamandarin-A; NSC714370; CHEMBL1969556; SCHEMBL13413446; NSC-714370; NCI60_039642; N-(1-Pyruvoyl-L-Pro-N-methyl-D-Leu-)cyclo[L-Thr*-[(3S,4R)-3-hydroxy-4-[(S)-1-methylpropyl]-gammaAbu-]-L-Hmb-L-Leu-L-Pro-N,O-dimethyl-L-Tyr-]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714370	.	.	.	.	1054.3	C54H83N7O14	268	2040	5.2	75	4	14	15	"InChI=1S/C54H83N7O14/c1-14-32(8)44-42(63)28-43(64)75-46(31(6)7)49(67)55-37(25-29(2)3)51(69)61-24-16-18-39(61)53(71)59(12)41(27-35-19-21-36(73-13)22-20-35)54(72)74-34(10)45(48(66)56-44)57-47(65)40(26-30(4)5)58(11)52(70)38-17-15-23-60(38)50(68)33(9)62/h19-22,29-32,34,37-42,44-46,63H,14-18,23-28H2,1-13H3,(H,55,67)(H,56,66)(H,57,65)/t32-,34+,37-,38-,39-,40+,41-,42-,44+,45-,46-/m0/s1"	CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)C(=O)C)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C(C)C)O	CRMQSDHAUJOQIE-MRIHCXOKSA-N
DG59310	6-(Phenylethynyl)-8-chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine	401174	NSC714375; CHEMBL1972684; NSC-714375; NCI60_039643; 6-(Phenylethynyl)-8-chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714375	.	.	.	.	338.8	C18H15ClN4O	52.8	498	3.8	24	0	4	3	"InChI=1S/C18H15ClN4O/c19-18-22-16-14(10-9-13-6-2-1-3-7-13)20-12-21-17(16)23(18)15-8-4-5-11-24-15/h1-3,6-7,12,15H,4-5,8,11H2"	C1CCOC(C1)N2C3=NC=NC(=C3N=C2Cl)C#CC4=CC=CC=C4	VUFYZVTWLJHBHU-UHFFFAOYSA-N
DG59311	9-Benzyl-8-chloro-6-(2-thienyl)-9H-purine	401177	NSC714378; 9-Benzyl-8-chloro-6-(2-thienyl)-9H-purine; CHEMBL19699; NSC-714378; 9-benzyl-8-chloro-6-(2-thienyl)purine; NCI60_039645; 6-(2-Thienyl)-8-chloro-9-benzyl-9H-purine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714378	.	.	.	.	326.8	C16H11ClN4S	71.8	379	4	22	0	4	3	"InChI=1S/C16H11ClN4S/c17-16-20-14-13(12-7-4-8-22-12)18-10-19-15(14)21(16)9-11-5-2-1-3-6-11/h1-8,10H,9H2"	C1=CC=C(C=C1)CN2C3=NC=NC(=C3N=C2Cl)C4=CC=CS4	ZPFRIMMYEWGPAD-UHFFFAOYSA-N
DG59312	9-Benzyl-6-chloro-8-(2-phenylethynyl)purine	401178	NSC714379; 9-benzyl-6-chloro-8-(2-phenylethynyl)purine; CHEMBL279470; NSC-714379; NCI60_039646; 9-Benzyl-6-chloro-8-phenylethynyl-9H-purine; 6-Chloro-8-(phenylethynyl)-9-benzyl-9H-purine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714379	.	.	.	.	344.8	C20H13ClN4	43.6	500	4.7	25	0	3	4	"InChI=1S/C20H13ClN4/c21-19-18-20(23-14-22-19)25(13-16-9-5-2-6-10-16)17(24-18)12-11-15-7-3-1-4-8-15/h1-10,14H,13H2"	C1=CC=C(C=C1)CN2C(=NC3=C2N=CN=C3Cl)C#CC4=CC=CC=C4	DHPCMGNWYIOGCT-UHFFFAOYSA-N
DG59313	9-Benzyl-6-chloro-8-ethenyl-9H-purine	401179	NSC714380; 9-Benzyl-6-chloro-8-ethenyl-9H-purine; CHEMBL416366; 9-benzyl-6-chloro-8-vinyl-purine; 6-Chloro-8-vinyl-9-benzyl-9H-purine; NSC-714380; NCI60_039647	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714380	.	.	.	.	270.72	C14H11ClN4	43.6	319	3.4	19	0	3	3	"InChI=1S/C14H11ClN4/c1-2-11-18-12-13(15)16-9-17-14(12)19(11)8-10-6-4-3-5-7-10/h2-7,9H,1,8H2"	C=CC1=NC2=C(N1CC3=CC=CC=C3)N=CN=C2Cl	XIHMCFSBNYRRDQ-UHFFFAOYSA-N
DG59314	NSC714423	401219	"(3R)-3alpha-Phenyl-3aalpha,4,5,6-tetrahydro-4-oxo-5-[(S)-1-phenylethyl]-3H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid methyl ester; CHEMBL1970584; NSC714423; NSC-714423; NCI60_039664; (3R)-3alpha-Phenyl-3aalpha,4,5,6-tetrahydro-4-oxo-5-[(S)-1-phenylethyl]-3H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714423	.	.	.	.	439.5	C27H25N3O3	62.2	756	4.5	33	0	5	5	"InChI=1S/C27H25N3O3/c1-18(19-11-5-3-6-12-19)29-17-21-15-9-10-16-22(21)30-25(26(29)31)23(20-13-7-4-8-14-20)24(28-30)27(32)33-2/h3-16,18,23,25H,17H2,1-2H3/t18-,23-,25-/m0/s1"	C[C@@H](C1=CC=CC=C1)N2CC3=CC=CC=C3N4[C@H](C2=O)[C@H](C(=N4)C(=O)OC)C5=CC=CC=C5	YIZDAMGHIYYQGL-WYRQLCSISA-N
DG59315	NSC714424	401220	"(3S)-3beta-Methyl-3abeta,4,5,6-tetrahydro-4-oxo-5-[(S)-1-phenylethyl]-3H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid methyl ester; CHEMBL1993937; NSC714424; NSC-714424; NCI60_039665; (3S)-3beta-Methyl-3abeta,4,5,6-tetrahydro-4-oxo-5-[(S)-1-phenylethyl]-3H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714424	.	.	.	.	377.4	C22H23N3O3	62.2	643	3.4	28	0	5	4	"InChI=1S/C22H23N3O3/c1-14-19(22(27)28-3)23-25-18-12-8-7-11-17(18)13-24(21(26)20(14)25)15(2)16-9-5-4-6-10-16/h4-12,14-15,20H,13H2,1-3H3/t14-,15+,20-/m1/s1"	C[C@H]1[C@@H]2C(=O)N(CC3=CC=CC=C3N2N=C1C(=O)OC)[C@@H](C)C4=CC=CC=C4	ZKZMFKCVXXRLTK-QEEYODRMSA-N
DG59316	"N-[1,3-Bis(1,10-phenanthroline-2-yloxy)propane-2-yl]-6-(6-chloro-2-methoxyacridine-9-ylamino)hexanamide"	401238	"NSC714445; CHEMBL1979387; NSC-714445; NCI60_039670; N-[1,3-Bis(1,10-phenanthroline-2-yloxy)propane-2-yl]-6-(6-chloro-2-methoxyacridine-9-ylamino)hexanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714445	.	.	.	.	802.3	C47H40ClN7O4	133	1280	9.6	59	2	10	15	"InChI=1S/C47H40ClN7O4/c1-57-35-17-19-38-37(26-35)47(36-18-16-33(48)25-39(36)53-38)51-22-4-2-3-9-40(56)52-34(27-58-41-20-14-31-12-10-29-7-5-23-49-43(29)45(31)54-41)28-59-42-21-15-32-13-11-30-8-6-24-50-44(30)46(32)55-42/h5-8,10-21,23-26,34H,2-4,9,22,27-28H2,1H3,(H,51,53)(H,52,56)"	COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCCCC(=O)NC(COC4=NC5=C(C=CC6=C5N=CC=C6)C=C4)COC7=NC8=C(C=CC9=C8N=CC=C9)C=C7	IGUBIFVXZRAHFS-UHFFFAOYSA-N
DG59317	"N-[1,3-bis(1,10-phenanthrolin-3-yloxy)propan-2-yl]-6-[(6-chloro-2-methoxyacridin-9-yl)amino]hexanamide"	401239	NSC714446; CHEMBL1972096; NSC-714446; NCI60_039671	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714446	.	.	.	.	802.3	C47H40ClN7O4	133	1280	8.9	59	2	10	15	"InChI=1S/C47H40ClN7O4/c1-57-35-15-17-40-39(24-35)47(38-16-14-33(48)23-41(38)55-40)51-18-4-2-3-9-42(56)54-34(27-58-36-21-31-12-10-29-7-5-19-49-43(29)45(31)52-25-36)28-59-37-22-32-13-11-30-8-6-20-50-44(30)46(32)53-26-37/h5-8,10-17,19-26,34H,2-4,9,18,27-28H2,1H3,(H,51,55)(H,54,56)"	COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCCCC(=O)NC(COC4=CN=C5C(=C4)C=CC6=C5N=CC=C6)COC7=CN=C8C(=C7)C=CC9=C8N=CC=C9	SSEIDWJZBCFIIL-UHFFFAOYSA-N
DG59318	"4-chloro-N-[5-oxo-4-(pyridine-3-carbonyl)-1,3,4-thiadiazol-2-yl]benzamide"	401245	"NSC714452; CHEMBL1996223; 4-chloro-N-[5-oxo-4-(pyridine-3-carbonyl)-1,3,4-thiadiazol-2-yl]benzamide; NSC-714452; NCI60_039674; 5-(4-chlorophenyl)amido-3-nicotinoyl-1,3,4-thiadiazol-2-[3H]-one; N-[4,5-Dihydro-5-oxo-4-(3-pyridinylcarbonyl)-1,3,4-thiadiazole-2-yl]-4-chlorobenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714452	.	.	.	.	360.8	C15H9ClN4O3S	117	563	2.8	24	1	6	3	"InChI=1S/C15H9ClN4O3S/c16-11-5-3-9(4-6-11)12(21)18-14-19-20(15(23)24-14)13(22)10-2-1-7-17-8-10/h1-8H,(H,18,19,21)"	C1=CC(=CN=C1)C(=O)N2C(=O)SC(=N2)NC(=O)C3=CC=C(C=C3)Cl	WDIMPSVYDLVGSS-UHFFFAOYSA-N
DG59319	"2-[[4-(1,3-Benzoxazol-2-yl)phenyl]diazenyl]propanedinitrile"	401258	NSC714512; CHEMBL1990456; NSC-714512; NCI60_039681	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714512	.	.	.	.	287.28	C16H9N5O	98.3	491	3.4	22	0	6	3	"InChI=1S/C16H9N5O/c17-9-13(10-18)21-20-12-7-5-11(6-8-12)16-19-14-3-1-2-4-15(14)22-16/h1-8,13H"	C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)N=NC(C#N)C#N	UVWWBHOWBHERDQ-UHFFFAOYSA-N
DG59320	"5H-Benzo[d]naphtho[2,3-b]pyran-5,7,12-trione"	401276	"NSC714531; CHEMBL1970801; NSC-714531; NCI60_039686; 5H-Benzo[d]naphtho[2,3-b]pyran-5,7,12-trione; 2-(1,4-Dioxo-3-hydroxy-1,4-dihydronaphthalene-2-yl)benzoic acid delta-lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714531	.	.	.	.	276.24	C17H8O4	60.4	559	2.8	21	0	4	0	InChI=1S/C17H8O4/c18-14-10-6-2-3-7-11(10)15(19)16-13(14)9-5-1-4-8-12(9)17(20)21-16/h1-8H	C1=CC=C2C(=C1)C3=C(C(=O)C4=CC=CC=C4C3=O)OC2=O	NMRZDDJVDUKASA-UHFFFAOYSA-N
DG59321	Funkiosid H	401296	Funkiosid H; CHEMBL1975645; NSC714602; NSC-714602; NCI60_039690	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714602	.	.	.	.	1325.4	C62H100O30	453	2510	-3.9	92	16	30	15	"InChI=1S/C62H100O30/c1-22-9-14-62(80-20-22)23(2)36-32(92-62)16-30-28-8-7-26-15-27(10-12-60(26,5)29(28)11-13-61(30,36)6)83-57-47(77)42(72)51(35(19-65)85-57)89-59-53(52(39(69)33(17-63)84-59)90-54-44(74)38(68)31(66)21-79-54)91-58-48(78)43(73)50(34(18-64)86-58)88-56-46(76)41(71)49(25(4)82-56)87-55-45(75)40(70)37(67)24(3)81-55/h7,22-25,27-59,63-78H,8-21H2,1-6H3/t22 ,23-,24 ,25 ,27 ,28+,29-,30-,31 ,32 ,33 ,34 ,35 ,36 ,37 ,38 ,39 ,40 ,41 ,42 ,43 ,44 ,45 ,46 ,47 ,48 ,49 ,50 ,51 ,52 ,53 ,54 ,55 ,56 ,57 ,58 ,59 ,60 ,61 ,62+/m0/s1"	C[C@H]1C2C(C[C@@H]3C2(CC[C@H]4[C@H]3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)OC2C(C(C(C(O2)C)OC2C(C(C(C(O2)C)O)O)O)O)O)O)O)O)O)C)C)O[C@]11CCC(CO1)C	YXPZZBVSDLNPRV-GSMWCAPGSA-N
DG59322	Purpureagitosid	401298	Purpureagitosid; CHEMBL1968031; NSC714604; NSC-714604; NCI60_039692	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714604	.	.	.	.	1231.3	C56H94O29	466	2180	-3.9	85	18	29	18	"InChI=1S/C56H94O29/c1-20(18-75-49-43(71)39(67)36(64)30(14-57)78-49)7-10-56(74)21(2)34-29(85-56)12-25-23-6-5-22-11-28(26(61)13-55(22,4)24(23)8-9-54(25,34)3)77-51-45(73)41(69)46(33(17-60)81-51)82-53-48(84-52-44(72)40(68)37(65)31(15-58)79-52)47(38(66)32(16-59)80-53)83-50-42(70)35(63)27(62)19-76-50/h20-53,57-74H,5-19H2,1-4H3/t20 ,21-,22-,23+,24-,25-,26+,27 ,28 ,29 ,30 ,31 ,32 ,33 ,34 ,35 ,36 ,37 ,38 ,39 ,40 ,41 ,42 ,43 ,44 ,45 ,46 ,47 ,48 ,49 ,50 ,51 ,52 ,53 ,54 ,55 ,56+/m0/s1"	C[C@H]1C2C(C[C@@H]3C2(CC[C@H]4[C@H]3CC[C@@H]5C4(C[C@H](C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)C)O[C@@]1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O	PYVSHVUPVKOSBE-YYBGWXCUSA-N
DG59323	Ethyl(methylsulfonylmethyl) persulfide	401305	"NSC714611; SCHEMBL7113451; CHEMBL1998392; 2,4,5-Trithiaheptane 2,2-Dioxide; Ethyl(methylsulfonylmethyl) persulfide; NSC-714611; NCI60_039696"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714611	.	.	.	.	186.3	C4H10O2S3	93.1	144	0.7	9	0	4	4	"InChI=1S/C4H10O2S3/c1-3-7-8-4-9(2,5)6/h3-4H2,1-2H3"	CCSSCS(=O)(=O)C	BEMDGXSOILVUJR-UHFFFAOYSA-N
DG59324	"Ethyl 2-[1-hydroxy-2,2-bis[(4-methylphenyl)sulfanyl]cyclohexyl]acetate"	401322	NSC714632; CHEMBL2004798; NSC-714632; NCI60_039701	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714632	.	.	.	.	430.6	C24H30O3S2	97.1	500	6.5	29	1	5	8	"InChI=1S/C24H30O3S2/c1-4-27-22(25)17-23(26)15-5-6-16-24(23,28-20-11-7-18(2)8-12-20)29-21-13-9-19(3)10-14-21/h7-14,26H,4-6,15-17H2,1-3H3"	CCOC(=O)CC1(CCCCC1(SC2=CC=C(C=C2)C)SC3=CC=C(C=C3)C)O	MOCHMAWTQNGFJB-UHFFFAOYSA-N
DG59325	"3-[2-(5-bromo-1H-indol-3-yl)ethyl]-4-(3-propan-2-yloxyphenyl)pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide"	401326	NSC714636; CHEMBL1999163; NSC-714636; NCI60_039702	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714636	.	.	.	.	539.4	C25H23BrN4O3S	96	848	4.5	34	1	5	6	"InChI=1S/C25H23BrN4O3S/c1-16(2)33-20-5-3-4-19(13-20)30-23-10-11-27-15-24(23)34(31,32)29-25(30)9-6-17-14-28-22-8-7-18(26)12-21(17)22/h3-5,7-8,10-16,28H,6,9H2,1-2H3"	CC(C)OC1=CC=CC(=C1)N2C3=C(C=NC=C3)S(=O)(=O)N=C2CCC4=CNC5=C4C=C(C=C5)Br	XPLUFIRYEKVUHV-UHFFFAOYSA-N
DG59326	"3-Benzylsulfanyl-4-phenylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide"	401340	NSC714652; CHEMBL1979175; NSC-714652; NCI60_039704	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714652	.	.	.	.	381.5	C19H15N3O2S2	96.3	605	3.5	26	0	5	4	"InChI=1S/C19H15N3O2S2/c23-26(24)18-13-20-12-11-17(18)22(16-9-5-2-6-10-16)19(21-26)25-14-15-7-3-1-4-8-15/h1-13H,14H2"	C1=CC=C(C=C1)CSC2=NS(=O)(=O)C3=C(N2C4=CC=CC=C4)C=CN=C3	YDEGBMJAEUJINN-UHFFFAOYSA-N
DG59327	N-(benzenesulfonyl)-N-[2-(4-chlorophenyl)-2-methylpropanoyl]-4-phenylpiperazine-1-carboxamide	401343	NSC714655; CHEMBL1980109; NSC-714655; NCI60_039707	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714655	.	.	.	.	526	C27H28ClN3O4S	86.4	862	5.4	36	0	5	5	"InChI=1S/C27H28ClN3O4S/c1-27(2,21-13-15-22(28)16-14-21)25(32)31(36(34,35)24-11-7-4-8-12-24)26(33)30-19-17-29(18-20-30)23-9-5-3-6-10-23/h3-16H,17-20H2,1-2H3"	CC(C)(C1=CC=C(C=C1)Cl)C(=O)N(C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4	APRDUVBRBMRADN-UHFFFAOYSA-N
DG59328	N-(benzenesulfonyl)-N-[1-(4-chlorophenyl)cyclopentanecarbonyl]-4-phenylpiperazine-1-carboxamide	401344	NSC714656; CHEMBL1990163; NSC-714656; NCI60_039708	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714656	.	.	.	.	552.1	C29H30ClN3O4S	86.4	920	5.9	38	0	5	5	"InChI=1S/C29H30ClN3O4S/c30-24-15-13-23(14-16-24)29(17-7-8-18-29)27(34)33(38(36,37)26-11-5-2-6-12-26)28(35)32-21-19-31(20-22-32)25-9-3-1-4-10-25/h1-6,9-16H,7-8,17-22H2"	C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)N(C(=O)N3CCN(CC3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5	WWSMVECBAJPWFN-UHFFFAOYSA-N
DG59329	"N-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,4-diphenylpiperazine-1-carboxamide"	401351	NSC714663; CHEMBL1986730; NSC-714663; NCI60_039713	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714663	.	.	.	.	478	C27H28ClN3O3	53.1	675	5.6	34	0	4	5	"InChI=1S/C27H28ClN3O3/c1-27(2,34-24-15-13-21(28)14-16-24)25(32)31(23-11-7-4-8-12-23)26(33)30-19-17-29(18-20-30)22-9-5-3-6-10-22/h3-16H,17-20H2,1-2H3"	CC(C)(C(=O)N(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)OC4=CC=C(C=C4)Cl	MWWOKXDSGYQQLZ-UHFFFAOYSA-N
DG59330	"O-(1-adamantyl) N-(3,4-dichlorobenzoyl)-N-phenylcarbamothioate"	401360	NSC714672; CHEMBL1973425; NSC-714672; NCI60_039716	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714672	.	.	.	.	460.4	C24H23Cl2NO2S	61.6	639	7.7	30	0	3	4	"InChI=1S/C24H23Cl2NO2S/c25-20-7-6-18(11-21(20)26)22(28)27(19-4-2-1-3-5-19)23(30)29-24-12-15-8-16(13-24)10-17(9-15)14-24/h1-7,11,15-17H,8-10,12-14H2"	C1C2CC3CC1CC(C2)(C3)OC(=S)N(C4=CC=CC=C4)C(=O)C5=CC(=C(C=C5)Cl)Cl	UEDNLZFRVASMEF-UHFFFAOYSA-N
DG59331	"O-(1-adamantyl) N-phenyl-N-(3,4,5-trimethoxybenzoyl)carbamothioate"	401362	NSC714674; CHEMBL1999796; NSC-714674; NCI60_039718	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714674	.	.	.	.	481.6	C27H31NO5S	89.3	698	6.3	34	0	6	7	"InChI=1S/C27H31NO5S/c1-30-22-12-20(13-23(31-2)24(22)32-3)25(29)28(21-7-5-4-6-8-21)26(34)33-27-14-17-9-18(15-27)11-19(10-17)16-27/h4-8,12-13,17-19H,9-11,14-16H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C(=O)N(C2=CC=CC=C2)C(=S)OC34CC5CC(C3)CC(C5)C4	OVULJPBLXYAXLU-UHFFFAOYSA-N
DG59332	"2,4-dichloro-N-[(2,4-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide"	401368	NSC714680; CHEMBL1974791; NSC-714680; NCI60_039722	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714680	.	.	.	.	604.3	C27H18Cl4N4O2S	98.5	775	6.6	38	0	5	6	"InChI=1S/C27H18Cl4N4O2S/c28-19-5-7-21(23(30)11-19)25(36)34(15-17-3-1-9-32-13-17)27(38)35(16-18-4-2-10-33-14-18)26(37)22-8-6-20(29)12-24(22)31/h1-14H,15-16H2"	C1=CC(=CN=C1)CN(C(=O)C2=C(C=C(C=C2)Cl)Cl)C(=S)N(CC3=CN=CC=C3)C(=O)C4=C(C=C(C=C4)Cl)Cl	FWNRESIKFPXCDK-UHFFFAOYSA-N
DG59333	"3,4-dichloro-N-[(3,4-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide"	401369	NSC714681; CHEMBL1985248; NSC-714681; NCI60_039723	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714681	.	.	.	.	604.3	C27H18Cl4N4O2S	98.5	775	6.6	38	0	5	6	"InChI=1S/C27H18Cl4N4O2S/c28-21-7-5-19(11-23(21)30)25(36)34(15-17-3-1-9-32-13-17)27(38)35(16-18-4-2-10-33-14-18)26(37)20-6-8-22(29)24(31)12-20/h1-14H,15-16H2"	C1=CC(=CN=C1)CN(C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=S)N(CC3=CN=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)Cl	XAFRFNJWHJVPPP-UHFFFAOYSA-N
DG59334	"3,5-dichloro-N-[(3,5-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide"	401370	NSC714682; CHEMBL1992459; NSC-714682; NCI60_039724	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714682	.	.	.	.	604.3	C27H18Cl4N4O2S	98.5	755	6.6	38	0	5	6	"InChI=1S/C27H18Cl4N4O2S/c28-21-7-19(8-22(29)11-21)25(36)34(15-17-3-1-5-32-13-17)27(38)35(16-18-4-2-6-33-14-18)26(37)20-9-23(30)12-24(31)10-20/h1-14H,15-16H2"	C1=CC(=CN=C1)CN(C(=O)C2=CC(=CC(=C2)Cl)Cl)C(=S)N(CC3=CN=CC=C3)C(=O)C4=CC(=CC(=C4)Cl)Cl	FNSGPGIJERUJHD-UHFFFAOYSA-N
DG59335	"2,4,6-trichloro-N-(pyridin-3-ylmethyl)-N-[pyridin-3-ylmethyl-(2,4,6-trichlorobenzoyl)carbamothioyl]benzamide"	401373	NSC714685; CHEMBL1980317; NSC-714685; NCI60_039727	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714685	.	.	.	.	673.2	C27H16Cl6N4O2S	98.5	813	7.8	40	0	5	6	"InChI=1S/C27H16Cl6N4O2S/c28-17-7-19(30)23(20(31)8-17)25(38)36(13-15-3-1-5-34-11-15)27(40)37(14-16-4-2-6-35-12-16)26(39)24-21(32)9-18(29)10-22(24)33/h1-12H,13-14H2"	C1=CC(=CN=C1)CN(C(=O)C2=C(C=C(C=C2Cl)Cl)Cl)C(=S)N(CC3=CN=CC=C3)C(=O)C4=C(C=C(C=C4Cl)Cl)Cl	ZJQVEUBCNCAMOO-UHFFFAOYSA-N
DG59336	4-phenyl-N-[(4-phenylbenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide	401374	NSC714686; CHEMBL1981444; NSC-714686; NCI60_039728	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714686	.	.	.	.	618.7	C39H30N4O2S	98.5	903	7.3	46	0	5	8	"InChI=1S/C39H30N4O2S/c44-37(35-19-15-33(16-20-35)31-11-3-1-4-12-31)42(27-29-9-7-23-40-25-29)39(46)43(28-30-10-8-24-41-26-30)38(45)36-21-17-34(18-22-36)32-13-5-2-6-14-32/h1-26H,27-28H2"	C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N(CC3=CN=CC=C3)C(=S)N(CC4=CN=CC=C4)C(=O)C5=CC=C(C=C5)C6=CC=CC=C6	VREFKDILDHQBDL-UHFFFAOYSA-N
DG59337	N-(pyridin-3-ylmethyl)-N-[pyridin-3-ylmethyl(thiophene-2-carbonyl)carbamothioyl]thiophene-2-carboxamide	401378	NSC714690; CHEMBL1964533; NSC-714690; NCI60_039731	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714690	.	.	.	.	478.6	C23H18N4O2S3	155	626	4.1	32	0	7	6	"InChI=1S/C23H18N4O2S3/c28-21(19-7-3-11-31-19)26(15-17-5-1-9-24-13-17)23(30)27(16-18-6-2-10-25-14-18)22(29)20-8-4-12-32-20/h1-14H,15-16H2"	C1=CC(=CN=C1)CN(C(=O)C2=CC=CS2)C(=S)N(CC3=CN=CC=C3)C(=O)C4=CC=CS4	YGJAPNBDISSOHW-UHFFFAOYSA-N
DG59338	3-[(6-Chloropyridin-3-yl)oxymethyl]-2-azabicyclo[2.2.2]octane;hydrochloride	401397	NSC714929; CHEMBL1980379; NSC-714929	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714929	.	.	.	.	289.2	C13H18Cl2N2O	34.2	256	.	18	2	3	3	"InChI=1S/C13H17ClN2O.ClH/c14-13-6-5-11(7-15-13)17-8-12-9-1-3-10(16-12)4-2-9;/h5-7,9-10,12,16H,1-4,8H2;1H"	C1CC2CCC1C(N2)COC3=CN=C(C=C3)Cl.Cl	KNRISQHUEXTITE-UHFFFAOYSA-N
DG59339	"3-(3-Chlorophenyl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one"	401412	NSC715064; CHEMBL1979907; NSC-715064; NCI60_039744	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715064	.	.	.	.	413.9	C21H16ClNO4S	72.1	658	4.2	28	0	4	4	"InChI=1S/C21H16ClNO4S/c22-16-7-5-8-17(13-16)23-20(24)14-28(25,26)21(23)15-6-4-11-19(12-15)27-18-9-2-1-3-10-18/h1-13,21H,14H2"	C1C(=O)N(C(S1(=O)=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC(=CC=C4)Cl	WVCZBVOCPXGWIU-UHFFFAOYSA-N
DG59340	"3-(4-Chlorophenyl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one"	401413	NSC715065; CHEMBL1999696; NSC-715065; NCI60_039745	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715065	.	.	.	.	413.9	C21H16ClNO4S	72.1	650	4.2	28	0	4	4	"InChI=1S/C21H16ClNO4S/c22-16-9-11-17(12-10-16)23-20(24)14-28(25,26)21(23)15-5-4-8-19(13-15)27-18-6-2-1-3-7-18/h1-13,21H,14H2"	C1C(=O)N(C(S1(=O)=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)Cl	OGOHZZBNMZQPRK-UHFFFAOYSA-N
DG59341	"3-(3-Methoxyphenyl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one"	401415	NSC715067; CHEMBL2004326; NSC-715067; NCI60_039747	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715067	.	.	.	.	409.5	C22H19NO5S	81.3	669	3.6	29	0	5	5	"InChI=1S/C22H19NO5S/c1-27-19-11-6-8-17(14-19)23-21(24)15-29(25,26)22(23)16-7-5-12-20(13-16)28-18-9-3-2-4-10-18/h2-14,22H,15H2,1H3"	COC1=CC=CC(=C1)N2C(S(=O)(=O)CC2=O)C3=CC(=CC=C3)OC4=CC=CC=C4	OJQZFVQBYOKAAR-UHFFFAOYSA-N
DG59342	"3-(4-Methoxyphenyl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one"	401416	NSC715068; CHEMBL1975563; NSC-715068; NCI60_039748	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715068	.	.	.	.	409.5	C22H19NO5S	81.3	661	3.6	29	0	5	5	"InChI=1S/C22H19NO5S/c1-27-18-12-10-17(11-13-18)23-21(24)15-29(25,26)22(23)16-6-5-9-20(14-16)28-19-7-3-2-4-8-19/h2-14,22H,15H2,1H3"	COC1=CC=C(C=C1)N2C(S(=O)(=O)CC2=O)C3=CC(=CC=C3)OC4=CC=CC=C4	LIJRDZOTMQRKOU-UHFFFAOYSA-N
DG59343	"3-(2,3-Dichlorophenyl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one"	401418	NSC715070; CHEMBL1970983; NSC-715070; NCI60_039750	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715070	.	.	.	.	448.3	C21H15Cl2NO4S	72.1	691	4.9	29	0	4	4	"InChI=1S/C21H15Cl2NO4S/c22-17-10-5-11-18(20(17)23)24-19(25)13-29(26,27)21(24)14-6-4-9-16(12-14)28-15-7-2-1-3-8-15/h1-12,21H,13H2"	C1C(=O)N(C(S1(=O)=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=C(C(=CC=C4)Cl)Cl	XVVYVMROVFYEAG-UHFFFAOYSA-N
DG59344	"3-Cyclopropyl-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one"	401420	NSC715072; CHEMBL1981341; NSC-715072; NCI60_039752	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715072	.	.	.	.	343.4	C18H17NO4S	72.1	574	2.6	24	0	4	4	"InChI=1S/C18H17NO4S/c20-17-12-24(21,22)18(19(17)14-9-10-14)13-5-4-8-16(11-13)23-15-6-2-1-3-7-15/h1-8,11,14,18H,9-10,12H2"	C1CC1N2C(S(=O)(=O)CC2=O)C3=CC(=CC=C3)OC4=CC=CC=C4	UQPMYMOEHIGOMO-UHFFFAOYSA-N
DG59345	11-hydroxyusambarine Chlorhydrate	401426	NSC715082; CHEMBL1978262; 11-hydroxyusambarine Chlorhydrate; NSC-715082	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715082	.	.	.	.	503.1	C30H35ClN4O	58.3	790	.	36	4	3	3	"InChI=1S/C30H34N4O.ClH/c1-3-18-17-34-13-11-24-22-9-8-20(35)16-26(22)32-30(24)28(34)15-19(18)14-27-29-23(10-12-33(27)2)21-6-4-5-7-25(21)31-29;/h3-9,16,18-19,27-28,31-32,35H,1,10-15,17H2,2H3;1H/t18-,19-,27-,28-;/m0./s1"	CN1CCC2=C([C@@H]1C[C@H]3C[C@H]4C5=C(CCN4C[C@@H]3C=C)C6=C(N5)C=C(C=C6)O)NC7=CC=CC=C27.Cl	JGPOLZGFOQNTIX-SQLTZDDBSA-N
DG59346	Pervilleanone	401429	pervilleanone; NSC715084; CHEMBL1973510; NSC-715084; NCI60_039756	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715084	.	.	.	.	384.4	C22H24O6	85.2	575	4.2	28	2	6	5	"InChI=1S/C22H24O6/c1-6-22(2,3)16-10-14(19(25)21(27-5)20(16)26-4)15-11-28-17-9-12(23)7-8-13(17)18(15)24/h6-10,15,23,25H,1,11H2,2-5H3/t15-/m0/s1"	CC(C)(C=C)C1=C(C(=C(C(=C1)[C@@H]2COC3=C(C2=O)C=CC(=C3)O)O)OC)OC	VEUAGCPRQFCWJN-HNNXBMFYSA-N
DG59347	3'-O-Demethylpervilleanone	401430	NSC715085; 3'-O-Demethylpervilleanone; CHEMBL1987286; NSC-715085; NCI60_039757	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715085	.	.	.	.	370.4	C21H22O6	96.2	561	3.9	27	3	6	4	"InChI=1S/C21H22O6/c1-5-21(2,3)15-9-13(18(24)19(25)20(15)26-4)14-10-27-16-8-11(22)6-7-12(16)17(14)23/h5-9,14,22,24-25H,1,10H2,2-4H3/t14-/m0/s1"	CC(C)(C=C)C1=C(C(=C(C(=C1)[C@@H]2COC3=C(C2=O)C=CC(=C3)O)O)O)OC	KNQQUXVBDOWOCQ-AWEZNQCLSA-N
DG59348	"Ethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(furan-2-carbonylamino)propanoate"	401439	NSC715099; CHEMBL1975059; NSC-715099; NCI60_039762	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715099	.	.	.	.	457.4	C19H18F3N3O5S	131	656	5.3	31	2	11	9	"InChI=1S/C19H18F3N3O5S/c1-3-28-11-7-8-12-14(10-11)31-17(23-12)25-18(19(20,21)22,16(27)29-4-2)24-15(26)13-6-5-9-30-13/h5-10H,3-4H2,1-2H3,(H,23,25)(H,24,26)"	CCOC1=CC2=C(C=C1)N=C(S2)NC(C(=O)OCC)(C(F)(F)F)NC(=O)C3=CC=CO3	VXMVGEQMRWCYJP-UHFFFAOYSA-N
DG59349	NSC715100	401440	"4-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-(2-phenylethyl)amino]propan-2-yl]-5-methyl-2-phenyl-1H-pyrazol-3-one; NSC715100; CHEMBL1967057; AKOS003311385; NSC-715100; NCI60_039763"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715100	.	.	.	.	542.5	C25H24F6N4OS	73.2	892	6.3	37	1	10	7	"InChI=1S/C25H24F6N4OS/c1-16-15-32-22(37-16)34(14-13-18-9-5-3-6-10-18)23(24(26,27)28,25(29,30)31)20-17(2)33-35(21(20)36)19-11-7-4-8-12-19/h3-12,16,33H,13-15H2,1-2H3"	CC1CN=C(S1)N(CCC2=CC=CC=C2)C(C3=C(NN(C3=O)C4=CC=CC=C4)C)(C(F)(F)F)C(F)(F)F	NMHAUEGEWDUFAM-UHFFFAOYSA-N
DG59350	"2-(3,5-Dimethoxyphenoxy)-3-(trifluoromethyl)quinoxaline"	401463	NSC715121; CHEMBL1976827; NSC-715121; NCI60_039771	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715121	.	.	.	.	350.29	C17H13F3N2O3	53.5	426	3.9	25	0	8	4	"InChI=1S/C17H13F3N2O3/c1-23-10-7-11(24-2)9-12(8-10)25-16-15(17(18,19)20)21-13-5-3-4-6-14(13)22-16/h3-9H,1-2H3"	COC1=CC(=CC(=C1)OC2=NC3=CC=CC=C3N=C2C(F)(F)F)OC	FSVNAQSSCVSYRP-UHFFFAOYSA-N
DG59351	"[4-[[6,7-Difluoro-2-(ethoxycarbonyl)quinoxaline-3-yl]amino]phenyl]acetic acid ethyl ester"	401468	"NSC715126; CHEMBL1991604; NSC-715126; NCI60_039773; [4-[[6,7-Difluoro-2-(ethoxycarbonyl)quinoxaline-3-yl]amino]phenyl]acetic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715126	.	.	.	.	415.4	C21H19F2N3O4	90.4	589	4.5	30	1	9	9	"InChI=1S/C21H19F2N3O4/c1-3-29-18(27)9-12-5-7-13(8-6-12)24-20-19(21(28)30-4-2)25-16-10-14(22)15(23)11-17(16)26-20/h5-8,10-11H,3-4,9H2,1-2H3,(H,24,26)"	CCOC(=O)CC1=CC=C(C=C1)NC2=NC3=CC(=C(C=C3N=C2C(=O)OCC)F)F	JALCIRXCHWRWTH-UHFFFAOYSA-N
DG59352	Diethyl 2-[[2-[4-[(3-phenylquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioate	401477	NSC715135; CHEMBL1978133; NSC-715135; NCI60_039777	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715135	.	.	.	.	540.6	C31H32N4O5	120	812	4.8	40	2	8	14	"InChI=1S/C31H32N4O5/c1-3-39-28(37)19-18-26(31(38)40-4-2)33-27(36)20-21-14-16-23(17-15-21)32-30-29(22-10-6-5-7-11-22)34-24-12-8-9-13-25(24)35-30/h5-17,26H,3-4,18-20H2,1-2H3,(H,32,35)(H,33,36)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4	WZCBNBWAOVPNEJ-UHFFFAOYSA-N
DG59353	ethyl (2R)-2-acetamido-3-[4-(chloromethyl)phenyl]propanoate	401487	NSC715145; CHEMBL1986006; NSC-715145; NCI60_039783	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715145	.	.	.	.	283.75	C14H18ClNO3	55.4	301	1.7	19	1	3	7	"InChI=1S/C14H18ClNO3/c1-3-19-14(18)13(16-10(2)17)8-11-4-6-12(9-15)7-5-11/h4-7,13H,3,8-9H2,1-2H3,(H,16,17)/t13-/m1/s1"	CCOC(=O)[C@@H](CC1=CC=C(C=C1)CCl)NC(=O)C	CIAQWTMEOZOLIA-CYBMUJFWSA-N
DG59354	1-(2-Chlorophenyl)-3-(cyclohexylideneamino)urea	401532	3-(2-Chlorophenyl)-1-(cyclohexylideneamino)urea; 92234-69-0; NSC715191; 1-(2-chlorophenyl)-3-(cyclohexylideneamino)urea; MLS001241022; CHEMBL1602828; HMS2211O22; HMS3338P10; NSC-715191; NCI60_039794; SMR000841194; N-(2-Chlorophenyl)-2-cyclohexylidenehydrazine-1-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715191	.	.	.	.	265.74	C13H16ClN3O	53.5	311	2.3	18	2	2	2	"InChI=1S/C13H16ClN3O/c14-11-8-4-5-9-12(11)15-13(18)17-16-10-6-2-1-3-7-10/h4-5,8-9H,1-3,6-7H2,(H2,15,17,18)"	C1CCC(=NNC(=O)NC2=CC=CC=C2Cl)CC1	PGIKYBYPGWYCAC-UHFFFAOYSA-N
DG59355	"5-Chloro-2-(chloromethyl)-1,3-benzoxazole"	401571	"5-chloro-2-(chloromethyl)-1,3-benzoxazole; 63842-22-8; 5-Chloro-2-(chloromethyl)benzo[d]oxazole; 5-chloro-2-(chloromethyl)benzoxazole; Benzoxazole, 5-chloro-2-(chloromethyl)-; MFCD05663796; NSC715266; SCHEMBL4285418; CHEMBL1977495; DTXSID60328015; ZINC169840; 5-Chloro-2-chloromethylbenzooxazole; ALBB-003980; 5-Chloro-2-chloromethyl-benzooxazole; AC6524; STK502831; AKOS000164142; AB21912; MCULE-2202708455; NSC-715266; NCI60_039809; SY081652; 5-chloro2-(chloromethyl)-1,3-benzoxazole; DB-073401; BB 0240664; FT-0678938; V7057; 6X-0711; A868014; J-517278; 5-chloro-2-(chloromethyl)-1,3-benzoxazole, AldrichCPR"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715266	.	.	.	.	202.03	C8H5Cl2NO	26	167	2.8	12	0	2	1	"InChI=1S/C8H5Cl2NO/c9-4-8-11-6-3-5(10)1-2-7(6)12-8/h1-3H,4H2"	C1=CC2=C(C=C1Cl)N=C(O2)CCl	SMGVJNOYBXYDFB-UHFFFAOYSA-N
DG59356	2-(2-Cyclohexylethyl)-5-chlorobenzoxazole	401574	NSC715269; CHEMBL1975173; NSC-715269; NCI60_039812; 2-(2-Cyclohexylethyl)-5-chlorobenzoxazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715269	.	.	.	.	263.76	C15H18ClNO	26	267	5.8	18	0	2	3	"InChI=1S/C15H18ClNO/c16-12-7-8-14-13(10-12)17-15(18-14)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9H2"	C1CCC(CC1)CCC2=NC3=C(O2)C=CC(=C3)Cl	ICDWPKGFAQYKRM-UHFFFAOYSA-N
DG59357	"4-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide"	401590	"4-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide; NSC715286; Cambridge id 6921328; Oprea1_189326; SCHEMBL2247470; CHEMBL1981248; ZINC306892; STK180519; AKOS003258505; MCULE-4533162327; NSC-715286; 301646-88-8; NCI60_039816; DB-086682; 4-Methoxy-N-(2-phenylbenzoxazole-5-yl)benzamide; 4-Methoxy-N-(2-phenyl-benzooxazol-5-yl)-benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715286	.	.	.	.	344.4	C21H16N2O3	64.4	472	4.2	26	1	4	4	"InChI=1S/C21H16N2O3/c1-25-17-10-7-14(8-11-17)20(24)22-16-9-12-19-18(13-16)23-21(26-19)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,24)"	COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4	YVMCVAPSNQKBSD-UHFFFAOYSA-N
DG59358	"(1R,4S)-1,7,7-Trimethyl-3alpha-(benzylthio)bicyclo[2.2.1]heptan-2alpha-ol"	401628	"NSC715325; CHEMBL1969691; NSC-715325; NCI60_039821; (1R,4S)-1,7,7-Trimethyl-3alpha-(benzylthio)bicyclo[2.2.1]heptan-2alpha-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715325	.	.	.	.	276.4	C17H24OS	45.5	334	4.2	19	1	2	3	"InChI=1S/C17H24OS/c1-16(2)13-9-10-17(16,3)15(18)14(13)19-11-12-7-5-4-6-8-12/h4-8,13-15,18H,9-11H2,1-3H3/t13-,14-,15-,17+/m1/s1"	C[C@@]12CC[C@@H](C1(C)C)[C@H]([C@H]2O)SCC3=CC=CC=C3	SGGXLJWXVZGWJG-ANQUJSFKSA-N
DG59359	6-chloro-2-(cyclopentylmethyl)-1H-benzimidazole	401641	NSC715343; CHEMBL1964954; AKOS009143079; NSC-715343; NCI60_039832	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715343	.	.	.	.	234.72	C13H15ClN2	28.7	240	4.6	16	1	1	2	"InChI=1S/C13H15ClN2/c14-10-5-6-11-12(8-10)16-13(15-11)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H,15,16)"	C1CCC(C1)CC2=NC3=C(N2)C=C(C=C3)Cl	PSYAGTZLFAPDAA-UHFFFAOYSA-N
DG59360	"3-(Hydroxymethyl)-5-(hydroxymethylsulfanyl)-1,3,4-thiadiazole-2-thione"	401642	NSC715344; CHEMBL1990670; NSC-715344; NCI60_039833	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715344	.	.	.	.	210.3	C4H6N2O2S3	139	196	0.9	11	2	6	3	"InChI=1S/C4H6N2O2S3/c7-1-6-4(9)11-3(5-6)10-2-8/h7-8H,1-2H2"	C(N1C(=S)SC(=N1)SCO)O	VSARGXBKGOHAQT-UHFFFAOYSA-N
DG59361	3-[3-(Propargylthio)quinoline-4-ylthio]quinoline-4(1H)-one	401658	"NSC715360; 1,4'-diquinolinyl sulfide; CHEMBL2005832; ZINC04627907; NSC-715360; NCI60_039837; 3-[3-(Propargylthio)quinoline-4-ylthio]quinoline-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715360	.	.	.	.	374.5	C21H14N2OS2	92.6	610	4.7	26	1	5	4	"InChI=1S/C21H14N2OS2/c1-2-11-25-19-13-23-17-10-6-4-8-15(17)21(19)26-18-12-22-16-9-5-3-7-14(16)20(18)24/h1,3-10,12-13H,11H2,(H,22,24)"	C#CCSC1=C(C2=CC=CC=C2N=C1)SC3=CNC4=CC=CC=C4C3=O	GTUBGKDAPLYKLI-UHFFFAOYSA-N
DG59362	"2-Methoxyestra-2,4,17-trione"	401659	"NSC715367; CHEMBL1977545; 2-Methoxyestra-2,4,17-trione; NSC-715367; NCI60_039838; 2-Methoxyestra-2,5(10)-diene-1,4,17-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715367	.	.	.	.	314.4	C19H22O4	60.4	684	2.3	23	0	4	1	"InChI=1S/C19H22O4/c1-19-8-7-11-10(13(19)5-6-16(19)21)3-4-12-14(20)9-15(23-2)18(22)17(11)12/h9-11,13H,3-8H2,1-2H3/t10-,11+,13+,19+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C(=O)C(=CC4=O)OC	NIYYSRYLUXVAOB-MJXOLFLWSA-N
DG59363	"17beta-Hydroxy-2-methoxyestra-2,4-dione"	401660	"NSC715368; CHEMBL2002866; NSC-715368; NCI60_039839; 17.beta.-Hydroxy-2-methoxyestra-2,4-dione; 2-Methoxy-17beta-hydroxyestra-2,5(10)-diene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715368	.	.	.	.	316.4	C19H24O4	63.6	644	2.6	23	1	4	1	"InChI=1S/C19H24O4/c1-19-8-7-11-10(13(19)5-6-16(19)21)3-4-12-14(20)9-15(23-2)18(22)17(11)12/h9-11,13,16,21H,3-8H2,1-2H3/t10-,11+,13+,16+,19+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C(=O)C(=CC4=O)OC	XVFJSCSFPSFWMV-KYOGJALFSA-N
DG59364	3'-O-Benzoyl-5'-O-trityl-6-chloro-6-deaminoadenosine	401669	NSC715399; SCHEMBL1799127; CHEMBL1992230; NSC-715399; NCI60_039842; 3'-O-Benzoyl-5'-O-trityl-6-chloro-6-deaminoadenosine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715399	.	.	.	.	633.1	C36H29ClN4O5	109	938	6.3	46	1	8	10	"InChI=1S/C36H29ClN4O5/c37-32-29-33(39-22-38-32)41(23-40-29)34-30(42)31(46-35(43)24-13-5-1-6-14-24)28(45-34)21-44-36(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,22-23,28,30-31,34,42H,21H2/t28-,30-,31-,34-/m1/s1"	C1=CC=C(C=C1)C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=NC4=C3N=CN=C4Cl)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7	SPFCAZDEKOSXNR-UTBAFCPYSA-N
DG59365	"Methyl 4-O,6-O-[(R)-benzylidene]-2,3-(3-pentene-1,5-diyl)-3-deoxy-alpha-D-glucopyranoside"	401675	"NSC715405; CHEMBL1981653; NSC-715405; NCI60_039846; Methyl 4-O,6-O-[(R)-benzylidene]-2,3-(3-pentene-1,5-diyl)-3-deoxy-alpha-D-glucopyranoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715405	.	.	.	.	332.4	C19H24O5	57.2	461	2.1	24	1	5	2	"InChI=1S/C19H24O5/c1-21-18-19(20)11-7-3-6-10-14(19)16-15(23-18)12-22-17(24-16)13-8-4-2-5-9-13/h2-6,8-9,14-18,20H,7,10-12H2,1H3/t14-,15+,16-,17+,18-,19+/m0/s1"	CO[C@@H]1[C@]2(CCC=CC[C@H]2[C@H]3[C@H](O1)CO[C@H](O3)C4=CC=CC=C4)O	QEYSNQPKOJAAMW-UDFCFZJOSA-N
DG59366	"1-O-tert-butyl 2-O-(2,2,2-trichloroethyl) (2S,4S)-4-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1,2-dicarboxylate"	401677	NSC715407; CHEMBL1977094; NSC-715407; NCI60_039848	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715407	.	.	.	.	494.8	C21H26Cl3NO6	82.1	640	4.6	31	0	6	10	"InChI=1S/C21H26Cl3NO6/c1-20(2,3)31-19(28)25-11-15(9-16(25)18(27)30-13-21(22,23)24)10-17(26)29-12-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3/t15-,16-/m0/s1"	CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)OCC(Cl)(Cl)Cl)CC(=O)OCC2=CC=CC=C2	GSQDPRPGTHUAPW-HOTGVXAUSA-N
DG59367	"methyl (1S,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-5,8-diene-5-carboxylate"	401693	NSC715423; CHEMBL2000990; NSC-715423; NCI60_039852	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715423	.	.	.	.	361.5	C21H35N3O2	53.9	570	4.7	26	1	3	10	"InChI=1S/C21H35N3O2/c1-4-5-6-7-8-9-10-11-16-14-17-12-13-18-19(20(25)26-3)15(2)22-21(23-16)24(17)18/h16-18H,4-14H2,1-3H3,(H,22,23)/t16-,17+,18 /m1/s1"	CCCCCCCCC[C@@H]1C[C@@H]2CCC3N2C(=N1)NC(=C3C(=O)OC)C	PZCUXEXAQPZHFP-DVKDBIPTSA-N
DG59368	"N,N-dibenzyl-2-[(1R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-6-prop-2-enylcyclohex-3-en-1-yl]acetamide"	401708	NSC715438; CHEMBL1975780; NSC-715438; NCI60_039862	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715438	.	.	.	.	503.7	C31H41NO3Si	46.6	751	.	36	0	3	11	"InChI=1S/C31H41NO3Si/c1-7-14-26-27(28(33)19-20-29(26)35-36(5,6)31(2,3)4)21-30(34)32(22-24-15-10-8-11-16-24)23-25-17-12-9-13-18-25/h7-13,15-20,26-27,29H,1,14,21-23H2,2-6H3/t26-,27-,29-/m1/s1"	CC(C)(C)[Si](C)(C)O[C@@H]1C=CC(=O)[C@@H]([C@H]1CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3	PWCBAHMUSMNOIR-LSMIHOHGSA-N
DG59369	"N-[2-[(6S)-6-[dimethyl(phenyl)silyl]cyclohexen-1-yl]ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine"	401718	NSC715448; CHEMBL2006732; NSC-715448; NCI60_039865	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715448	.	.	.	.	451.7	C31H37NSi	12	623	.	33	1	1	6	"InChI=1S/C31H37NSi/c1-33(2,27-15-4-3-5-16-27)30-19-11-8-14-26(30)22-23-32-31-28-17-9-6-12-24(28)20-21-25-13-7-10-18-29(25)31/h3-7,9-10,12-18,30-32H,8,11,19-23H2,1-2H3/t30-/m0/s1"	C[Si](C)([C@H]1CCCC=C1CCNC2C3=CC=CC=C3CCC4=CC=CC=C24)C5=CC=CC=C5	NYHAHOCEINZAFC-PMERELPUSA-N
DG59370	3-Methyl-1-(4-nitrobenzoyl)-5-(2-phenylethyl)-2-[[4-tri(propan-2-yl)silyloxyphenyl]methyl]pyrrolidine-3-carbaldehyde	401723	NSC715453; CHEMBL1967889; NSC-715453; NCI60_039869	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715453	.	.	.	.	628.9	C37H48N2O5Si	92.4	954	.	45	0	5	12	"InChI=1S/C37H48N2O5Si/c1-26(2)45(27(3)4,28(5)6)44-34-21-14-30(15-22-34)23-35-37(7,25-40)24-33(18-13-29-11-9-8-10-12-29)38(35)36(41)31-16-19-32(20-17-31)39(42)43/h8-12,14-17,19-22,25-28,33,35H,13,18,23-24H2,1-7H3"	CC(C)[Si](C(C)C)(C(C)C)OC1=CC=C(C=C1)CC2C(CC(N2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4)(C)C=O	PFPUPXYWDOJOFU-UHFFFAOYSA-N
DG59371	[3-[(Benzylamino)methyl]-2-[(4-hydroxyphenyl)methyl]-3-methyl-5-(2-phenylethyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone	401727	NSC715457; CHEMBL1987527; NSC-715457; NCI60_039871	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715457	.	.	.	.	563.7	C35H37N3O4	98.4	851	7.1	42	2	5	10	"InChI=1S/C35H37N3O4/c1-35(25-36-24-28-10-6-3-7-11-28)23-31(17-12-26-8-4-2-5-9-26)37(33(35)22-27-13-20-32(39)21-14-27)34(40)29-15-18-30(19-16-29)38(41)42/h2-11,13-16,18-21,31,33,36,39H,12,17,22-25H2,1H3"	CC1(CC(N(C1CC2=CC=C(C=C2)O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4)CNCC5=CC=CC=C5	UAOSXJFTICMPKG-UHFFFAOYSA-N
DG59372	"Methyl 2-(benzylideneamino)-4-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-3-yl]butanoate"	401739	NSC715469; CHEMBL1985125; NSC-715469; NCI60_039876	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715469	.	.	.	.	426.5	C23H26N2O4S	84.4	714	3.8	30	0	6	9	"InChI=1S/C23H26N2O4S/c1-18-8-11-21(12-9-18)30(27,28)25-15-14-20(17-25)10-13-22(23(26)29-2)24-16-19-6-4-3-5-7-19/h3-9,11-12,14-16,20,22H,10,13,17H2,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)N2CC(C=C2)CCC(C(=O)OC)N=CC3=CC=CC=C3	IWBQIMFWJBSYEE-UHFFFAOYSA-N
DG59373	"triphenyl-[[(1S,3S,4R,7R,10S)-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decan-1-yl]methoxy]silane"	401750	NSC715480; CHEMBL1987384; NSC-715480; NCI60_039881	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715480	.	.	.	.	502.7	C33H34N2OSi	33.3	706	.	37	2	3	7	"InChI=1S/C33H34N2OSi/c1-5-13-25(14-6-1)31-32-30-26(23-34-32)21-22-33(30,35-31)24-36-37(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,26,30-32,34-35H,21-24H2/t26-,30-,31-,32+,33+/m0/s1"	C1C[C@]2([C@H]3[C@@H]1CN[C@H]3[C@@H](N2)C4=CC=CC=C4)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7	SQYPOGKJANYTJF-RTQLSXLOSA-N
DG59374	NSC715481	401751	"tert-butyl-dimethyl-[[(1S,3S,4R,7R,10S)-5-(4-methylphenyl)sulfonyl-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decan-1-yl]methoxy]silane; NSC715481; CHEMBL1968816; NSC-715481; NCI60_039882"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715481	.	.	.	.	512.799	C28H40N2O3SSi	67	868	.	35	1	5	7	"InChI=1S/C28H40N2O3SSi/c1-20-12-14-23(15-13-20)34(31,32)30-18-22-16-17-28(19-33-35(5,6)27(2,3)4)24(22)26(30)25(29-28)21-10-8-7-9-11-21/h7-15,22,24-26,29H,16-19H2,1-6H3/t22-,24-,25-,26+,28+/m0/s1"	CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3CC[C@]4([C@@H]3[C@@H]2[C@@H](N4)C5=CC=CC=C5)CO[Si](C)(C)C(C)(C)C	LUCIQHVGOJQLIA-HRUXOILCSA-N
DG59375	NSC715487	401757	"(2abeta,4abeta,6bbeta)-2beta-(2-Furyl)octahydro-1,3-diazacyclopenta[cd]pentalene-3,6abeta-dicarboxylic acid 3-benzyl 6a-methyl ester; NSC715487; CHEMBL1996462; NSC-715487; NCI60_039885; (2abeta,4abeta,6bbeta)-2beta-(2-Furyl)octahydro-1,3-diazacyclopenta[cd]pentalene-3,6abeta-dicarboxylic acid 3-benzyl 6a-methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715487	.	.	.	.	396.4	C22H24N2O5	81	651	2.2	29	1	6	6	"InChI=1S/C22H24N2O5/c1-27-20(25)22-10-9-15-12-24(21(26)29-13-14-6-3-2-4-7-14)19(17(15)22)18(23-22)16-8-5-11-28-16/h2-8,11,15,17-19,23H,9-10,12-13H2,1H3/t15-,17-,18-,19+,22-/m0/s1"	COC(=O)[C@]12CC[C@@H]3[C@H]1[C@H]([C@@H](N2)C4=CC=CO4)N(C3)C(=O)OCC5=CC=CC=C5	LHVMCQHRZMYHPI-FSWZZPBRSA-N
DG59376	NSC715489	401759	"5-O-benzyl 1-O-methyl 3-O-(2-trimethylsilylethyl) (1S,3R,4R,7R,10S)-2-(4-methylphenyl)sulfonyl-2,5-diazatricyclo[5.2.1.04,10]decane-1,3,5-tricarboxylate; NSC715489; CHEMBL2005736; NSC-715489; NCI60_039887"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715489	.	.	.	.	628.8	C31H40N2O8SSi	128	1160	.	43	0	9	12	"InChI=1S/C31H40N2O8SSi/c1-21-11-13-24(14-12-21)42(37,38)33-27(28(34)40-17-18-43(3,4)5)26-25-23(15-16-31(25,33)29(35)39-2)19-32(26)30(36)41-20-22-9-7-6-8-10-22/h6-14,23,25-27H,15-20H2,1-5H3/t23-,25-,26+,27+,31-/m0/s1"	CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@H]3[C@H]4[C@@]2(CC[C@H]4CN3C(=O)OCC5=CC=CC=C5)C(=O)OC)C(=O)OCC[Si](C)(C)C	SICXILQJPSVDQZ-PRIXWLSHSA-N
DG59377	"Cyclobutyl-[1-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[1,3,4,5,7,8-hexahydroisoquinoline-6,2'-1,3-dioxolane]-2-yl]methanone"	401786	NSC715516; NSC-715516; NCI60_039893	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715516	.	.	.	.	413.5	C24H31NO5	68.2	681	2.2	30	1	5	4	"InChI=1S/C24H31NO5/c1-28-22-6-5-16(14-21(22)26)13-20-19-7-9-24(29-11-12-30-24)15-18(19)8-10-25(20)23(27)17-3-2-4-17/h5-6,14,17,20,26H,2-4,7-13,15H2,1H3"	COC1=C(C=C(C=C1)CC2C3=C(CCN2C(=O)C4CCC4)CC5(CC3)OCCO5)O	FULWIOLQMIUKPJ-UHFFFAOYSA-N
DG59378	"cyclopropyl-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-3,4,5,8-tetrahydro-1H-isoquinolin-2-yl]methanone"	401788	NSC715518; NSC-715518; NCI60_039894	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715518	.	.	.	.	369.5	C22H27NO4	59	636	2.4	27	1	4	5	"InChI=1S/C22H27NO4/c1-26-17-6-7-18-16(13-17)9-10-23(22(25)15-4-5-15)19(18)11-14-3-8-21(27-2)20(24)12-14/h3,6,8,12,15,19,24H,4-5,7,9-11,13H2,1-2H3"	COC1=CCC2=C(C1)CCN(C2CC3=CC(=C(C=C3)OC)O)C(=O)C4CC4	YTBOZXIBRPTTQO-UHFFFAOYSA-N
DG59379	"cyclobutyl-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-3,4,5,8-tetrahydro-1H-isoquinolin-2-yl]methanone"	401790	NSC715520; NSC-715520; NCI60_039895	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715520	.	.	.	.	383.5	C23H29NO4	59	651	2.9	28	1	4	5	"InChI=1S/C23H29NO4/c1-27-18-7-8-19-17(14-18)10-11-24(23(26)16-4-3-5-16)20(19)12-15-6-9-22(28-2)21(25)13-15/h6-7,9,13,16,20,25H,3-5,8,10-12,14H2,1-2H3"	COC1=CCC2=C(C1)CCN(C2CC3=CC(=C(C=C3)OC)O)C(=O)C4CCC4	MXJNEAKHSPRQHX-UHFFFAOYSA-N
DG59380	NSC715522	401792	"[1-[(2-Bromo-5-hydroxy-4-methoxyphenyl)methyl]spiro[1,3,4,5,7,8-hexahydroisoquinoline-6,2'-1,3-dioxolane]-2-yl]-cyclobutylmethanone; NSC715522; NSC-715522; NCI60_039896"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715522	.	.	.	.	492.4	C24H30BrNO5	68.2	717	2.9	31	1	5	4	"InChI=1S/C24H30BrNO5/c1-29-22-13-19(25)17(12-21(22)27)11-20-18-5-7-24(30-9-10-31-24)14-16(18)6-8-26(20)23(28)15-3-2-4-15/h12-13,15,20,27H,2-11,14H2,1H3"	COC1=C(C=C(C(=C1)Br)CC2C3=C(CCN2C(=O)C4CCC4)CC5(CC3)OCCO5)O	YFEYKEOWPPPBJW-UHFFFAOYSA-N
DG59381	"1-[(2-Bromo-5-hydroxy-4-methoxyphenyl)methyl]-2-(cyclobutanecarbonyl)-1,3,4,5,7,8-hexahydroisoquinolin-6-one"	401793	NSC715523; NSC-715523; NCI60_039897	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715523	.	.	.	.	448.3	C22H26BrNO4	66.8	659	2.5	28	1	4	4	"InChI=1S/C22H26BrNO4/c1-28-21-12-18(23)15(11-20(21)26)10-19-17-6-5-16(25)9-14(17)7-8-24(19)22(27)13-3-2-4-13/h11-13,19,26H,2-10H2,1H3"	COC1=C(C=C(C(=C1)Br)CC2C3=C(CCN2C(=O)C4CCC4)CC(=O)CC3)O	CWPBBHOOZTYYBD-UHFFFAOYSA-N
DG59382	"3-(3,10-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;oxalic acid"	401797	NSC715527; CHEMBL1989358; NSC-715527	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715527	.	.	.	.	460.4	C21H24N4O8	173	604	.	33	2	10	5	"InChI=1S/C19H22N4O4.C2H2O4/c1-20(2)11-4-12-21-17-10-9-16(22(24)25)13-15(17)8-7-14-5-3-6-18(19(14)21)23(26)27;3-1(4)2(5)6/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3;(H,3,4)(H,5,6)"	CN(C)CCCN1C2=C(CCC3=C1C(=CC=C3)[N+](=O)[O-])C=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O	YUAYOLMWTZDYIT-UHFFFAOYSA-N
DG59383	"3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;oxalic acid"	401799	NSC715528; CHEMBL1970960; NSC-715528	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715528	.	.	.	.	460.4	C21H24N4O8	173	564	.	33	2	10	5	"InChI=1S/C19H22N4O4.C2H2O4/c1-20(2)10-3-11-21-18-8-6-16(22(24)25)12-14(18)4-5-15-13-17(23(26)27)7-9-19(15)21;3-1(4)2(5)6/h6-9,12-13H,3-5,10-11H2,1-2H3;(H,3,4)(H,5,6)"	CN(C)CCCN1C2=C(CCC3=C1C=CC(=C3)[N+](=O)[O-])C=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O	RQGBVEKHRKAKFA-UHFFFAOYSA-N
DG59384	Oxalic acid;3-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]aniline	401855	NSC715559; CHEMBL1993724; NSC-715559	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715559	.	.	.	.	413.5	C23H31N3O4	107	404	.	30	3	7	8	"InChI=1S/C21H29N3.C2H2O4/c22-21-10-4-8-20(18-21)11-13-24-16-14-23(15-17-24)12-5-9-19-6-2-1-3-7-19;3-1(4)2(5)6/h1-4,6-8,10,18H,5,9,11-17,22H2;(H,3,4)(H,5,6)"	C1CN(CCN1CCCC2=CC=CC=C2)CCC3=CC(=CC=C3)N.C(=O)(C(=O)O)O	FHMOQXPULHHSHR-UHFFFAOYSA-N
DG59385	1-[2-(2-Methoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine;oxalic acid	401859	NSC715561; CHEMBL1994335; NSC-715561	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715561	.	.	.	.	428.5	C24H32N2O5	90.3	420	.	31	2	7	9	"InChI=1S/C22H30N2O.C2H2O4/c1-25-22-12-6-5-11-21(22)13-15-24-18-16-23(17-19-24)14-7-10-20-8-3-2-4-9-20;3-1(4)2(5)6/h2-6,8-9,11-12H,7,10,13-19H2,1H3;(H,3,4)(H,5,6)"	COC1=CC=CC=C1CCN2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O	NAIHSEYNVVGLMM-UHFFFAOYSA-N
DG59386	2-(Hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-one	401880	NSC715572; CHEMBL1995619; NSC-715572; NCI60_039926	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715572	.	.	.	.	169.22	C9H15NO2	40.5	205	0.2	12	1	3	1	"InChI=1S/C9H15NO2/c1-10-6-2-3-8(10)7(5-11)9(12)4-6/h6-8,11H,2-5H2,1H3"	CN1C2CCC1C(C(=O)C2)CO	PPBREZWGIJWQDY-UHFFFAOYSA-N
DG59387	N-[bis(4-fluorophenyl)methyl]-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride	401891	NSC715581; CHEMBL1977578; NSC-715581	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715581	.	.	.	.	420.9	C23H27ClF2N2O	32.299	493	.	29	2	4	5	"InChI=1S/C23H26F2N2O.ClH/c1-27-20-10-11-21(27)13-15(12-20)14-22(28)26-23(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17;/h2-9,15,20-21,23H,10-14H2,1H3,(H,26,28);1H"	CN1C2CCC1CC(C2)CC(=O)NC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl	BLOTUBLIWKABJF-UHFFFAOYSA-N
DG59388	"[3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(1H-indol-2-yl)methanone"	401896	NSC715584; CHEMBL1986821; NSC-715584; NCI60_039934	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715584	.	.	.	.	515.6	C31H31F2N3O2	48.6	763	5.9	38	1	5	7	"InChI=1S/C31H31F2N3O2/c32-24-9-5-21(6-10-24)30(22-7-11-25(33)12-8-22)38-18-17-35-16-15-26-13-14-27(20-35)36(26)31(37)29-19-23-3-1-2-4-28(23)34-29/h1-12,19,26-27,30,34H,13-18,20H2"	C1CC2CN(CCC1N2C(=O)C3=CC4=CC=CC=C4N3)CCOC(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F	WBUHRGXQSPNUQP-UHFFFAOYSA-N
DG59389	NSC715643	401955	"methyl (1R,3R,4S,5S,13S,16S,17R,18S,20S,21S)-7-[2,5-dihydroxy-3,4-bis(5-oxo-2H-furan-3-yl)-6-[(1S,3S,4R,5R,13R,16R,17S,18R,20R,21R)-4,5,16,21-tetrahydroxy-17-methoxycarbonyl-13,17,20-trimethyl-2,6-dioxatetracyclo[10.7.1.13,7.013,18]henicosan-7-yl]hexyl]-4,5,16,21-tetrahydroxy-13,17,20-trimethyl-2,6-dioxatetracyclo[10.7.1.13,7.013,18]henicosane-17-carboxylate; NSC715643; CHEMBL2000221; NSC-715643; NCI60_039951"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715643	.	.	.	.	1191.4	C62H94O22	344	2360	3	84	10	22	13	"InChI=1S/C62H94O22/c1-29-33-13-9-11-17-61(51(71)49(47(69)53(73)83-61)81-37(29)23-39-57(33,3)19-15-41(65)59(39,5)55(75)77-7)25-35(63)45(31-21-43(67)79-27-31)46(32-22-44(68)80-28-32)36(64)26-62-18-12-10-14-34-30(2)38(82-50(52(62)72)48(70)54(74)84-62)24-40-58(34,4)20-16-42(66)60(40,6)56(76)78-8/h21-22,29-30,33-42,45-54,63-66,69-74H,9-20,23-28H2,1-8H3/t29-,30+,33 ,34 ,35 ,36 ,37+,38-,39-,40+,41-,42+,45 ,46 ,47-,48+,49-,50+,51-,52+,53-,54+,57-,58+,59+,60-,61 ,62 "	C[C@@H]1[C@H]2C[C@H]3[C@](C1CCCCC4([C@H]([C@@H](O2)[C@@H]([C@H](O4)O)O)O)CC(C(C5=CC(=O)OC5)C(C6=CC(=O)OC6)C(CC78CCCCC9[C@H]([C@H](C[C@@H]1[C@@]9(CC[C@H]([C@@]1(C)C(=O)OC)O)C)O[C@@H]([C@H]7O)[C@H]([C@@H](O8)O)O)C)O)O)(CC[C@@H]([C@]3(C)C(=O)OC)O)C	ZLZXFPXPHHITTL-ASMVMCBCSA-N
DG59390	"3,6-bis(4,5-dihydro-1H-imidazol-2-yl)-9-methylcarbazole;hydrochloride"	401965	NSC715653; CHEMBL1976274; NSC-715653	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715653	.	.	.	.	353.8	C19H20ClN5	53.7	508	.	25	3	2	2	"InChI=1S/C19H19N5.ClH/c1-24-16-4-2-12(18-20-6-7-21-18)10-14(16)15-11-13(3-5-17(15)24)19-22-8-9-23-19;/h2-5,10-11H,6-9H2,1H3,(H,20,21)(H,22,23);1H"	CN1C2=C(C=C(C=C2)C3=NCCN3)C4=C1C=CC(=C4)C5=NCCN5.Cl	GGXVAENDRMYDLK-UHFFFAOYSA-N
DG59391	"9-(cyclohexylmethyl)-3,6-bis(4,5-dihydro-1H-imidazol-2-yl)carbazole;hydrochloride"	401967	NSC715654; CHEMBL2005677; NSC-715654	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715654	.	.	.	.	436	C25H30ClN5	53.7	633	.	31	3	2	4	"InChI=1S/C25H29N5.ClH/c1-2-4-17(5-3-1)16-30-22-8-6-18(24-26-10-11-27-24)14-20(22)21-15-19(7-9-23(21)30)25-28-12-13-29-25;/h6-9,14-15,17H,1-5,10-13,16H2,(H,26,27)(H,28,29);1H"	C1CCC(CC1)CN2C3=C(C=C(C=C3)C4=NCCN4)C5=C2C=CC(=C5)C6=NCCN6.Cl	WAKBJUSDGJBABU-UHFFFAOYSA-N
DG59392	"2,6-Di-tert-butyl-4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenol"	401977	"NSC715664; CHEMBL1992324; NSC-715664; NCI60_039962; 2,6-Di-tert-butyl-4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenol; Phenol,6-dimethyl-1H-benzimidazol-2-yl)- 2,6-bis(1,1-dimethylethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715664	.	.	.	.	350.5	C23H30N2O	48.9	467	6.9	26	2	2	3	"InChI=1S/C23H30N2O/c1-13-9-18-19(10-14(13)2)25-21(24-18)15-11-16(22(3,4)5)20(26)17(12-15)23(6,7)8/h9-12,26H,1-8H3,(H,24,25)"	CC1=CC2=C(C=C1C)N=C(N2)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C	LGALTZSPBITHOW-UHFFFAOYSA-N
DG59393	"[3-(4-chlorophenyl)-5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-4H-pyrazol-1-yl]-pyridin-3-ylmethanone"	401997	NSC715686; CHEMBL2003844; NSC-715686; NCI60_039970	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715686	.	.	.	.	464.7	C21H13Cl3FN3O2	65.8	676	5.1	30	1	5	3	"InChI=1S/C21H13Cl3FN3O2/c22-14-5-3-12(4-6-14)19-10-21(30,15-8-18(25)17(24)9-16(15)23)28(27-19)20(29)13-2-1-7-26-11-13/h1-9,11,30H,10H2"	C1C(=NN(C1(C2=CC(=C(C=C2Cl)Cl)F)O)C(=O)C3=CN=CC=C3)C4=CC=C(C=C4)Cl	IWFBROTVONKHAK-UHFFFAOYSA-N
DG59394	"5-(2,4-dichloro-5-fluorophenyl)-3-phenyl-1H-pyrazole"	401999	NSC715688; CHEMBL1984170; NSC-715688; NCI60_039972	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715688	.	.	.	.	307.1	C15H9Cl2FN2	28.7	325	4.9	20	1	2	2	"InChI=1S/C15H9Cl2FN2/c16-11-7-12(17)13(18)6-10(11)15-8-14(19-20-15)9-4-2-1-3-5-9/h1-8H,(H,19,20)"	C1=CC=C(C=C1)C2=NNC(=C2)C3=CC(=C(C=C3Cl)Cl)F	CXBOFRUFCSVWMB-UHFFFAOYSA-N
DG59395	"3-(1,3-benzodioxol-5-yl)-5-(2,4-dichloro-5-fluorophenyl)-1H-pyrazole"	402001	NSC715690; CHEMBL1969103; NSC-715690; NCI60_039974	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715690	.	.	.	.	351.2	C16H9Cl2FN2O2	47.1	433	4.7	23	1	4	2	"InChI=1S/C16H9Cl2FN2O2/c17-10-5-11(18)12(19)4-9(10)14-6-13(20-21-14)8-1-2-15-16(3-8)23-7-22-15/h1-6H,7H2,(H,20,21)"	C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C4=CC(=C(C=C4Cl)Cl)F	ATSCONPRNWXNPY-UHFFFAOYSA-N
DG59396	"5-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazole"	402002	NSC715691; CHEMBL1972481; NSC-715691; NCI60_039975	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715691	.	.	.	.	368.2	C17H12Cl2FNO3	44.5	419	5	24	0	5	4	"InChI=1S/C17H12Cl2FNO3/c1-22-15-4-3-9(5-17(15)23-2)14-8-16(24-21-14)10-6-13(20)12(19)7-11(10)18/h3-8H,1-2H3"	COC1=C(C=C(C=C1)C2=NOC(=C2)C3=CC(=C(C=C3Cl)Cl)F)OC	ZKXBBZOZJMSBOR-UHFFFAOYSA-N
DG59397	"6-[5-(2,4-Dichlorophenyl)furan-2-yl]-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	402004	NSC715693; CHEMBL1996948; NSC-715693; NCI60_039976	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715693	.	.	.	.	365.2	C15H10Cl2N4OS	84.5	434	4.8	23	0	5	3	"InChI=1S/C15H10Cl2N4OS/c1-2-13-18-19-15-21(13)20-14(23-15)12-6-5-11(22-12)9-4-3-8(16)7-10(9)17/h3-7H,2H2,1H3"	CCC1=NN=C2N1N=C(S2)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl	ZSTBJIJPZXUHHZ-UHFFFAOYSA-N
DG59398	"(1R,2S)-1-(2-chlorophenyl)-2-nitrobutan-1-ol"	402014	NSC715708; CHEMBL2003985; NSC-715708; NCI60_039981	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715708	.	.	.	.	229.66	C10H12ClNO3	66	219	2.4	15	1	3	3	"InChI=1S/C10H12ClNO3/c1-2-9(12(14)15)10(13)7-5-3-4-6-8(7)11/h3-6,9-10,13H,2H2,1H3/t9-,10+/m0/s1"	CC[C@@H]([C@@H](C1=CC=CC=C1Cl)O)[N+](=O)[O-]	VZCHBEHJDCUQSD-VHSXEESVSA-N
DG59399	3-Benzyl-6-iodo-2-(3-nitropyridin-2-yl)sulfanylquinazolin-4-one	402015	NSC715710; CHEMBL1977909; NSC-715710; NCI60_039982	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715710	.	.	.	.	516.299	C20H13IN4O3S	117	652	4.6	29	0	6	4	"InChI=1S/C20H13IN4O3S/c21-14-8-9-16-15(11-14)19(26)24(12-13-5-2-1-3-6-13)20(23-16)29-18-17(25(27)28)7-4-10-22-18/h1-11H,12H2"	C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SC4=C(C=CC=N4)[N+](=O)[O-]	LNIDLTSIBCUZQB-UHFFFAOYSA-N
DG59400	Ethyl 3-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanoate	402018	NSC715713; CHEMBL1970529; NSC-715713; NCI60_039984	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715713	.	.	.	.	494.3	C20H19IN2O3S	84.3	565	4.2	27	0	5	8	"InChI=1S/C20H19IN2O3S/c1-2-26-18(24)10-11-27-20-22-17-9-8-15(21)12-16(17)19(25)23(20)13-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3"	CCOC(=O)CCSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3	OXHSDGMMUGTDRR-UHFFFAOYSA-N
DG59401	"3-Benzyl-2-(2,4-dinitrophenyl)sulfanyl-6-iodoquinazolin-4-one"	402021	NSC715716; CHEMBL1967945; NSC-715716; NCI60_039987	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715716	.	.	.	.	560.3	C21H13IN4O5S	150	766	5.2	32	0	7	4	"InChI=1S/C21H13IN4O5S/c22-14-6-8-17-16(10-14)20(27)24(12-13-4-2-1-3-5-13)21(23-17)32-19-9-7-15(25(28)29)11-18(19)26(30)31/h1-11H,12H2"	C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]	QYDRGKDTLPBIOI-UHFFFAOYSA-N
DG59402	2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(4-bromophenyl)acetamide	402023	NSC715718; CHEMBL1982257; NSC-715718; NCI60_039988	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715718	.	.	.	.	606.3	C23H17BrIN3O2S	87.1	680	5.6	31	1	4	6	"InChI=1S/C23H17BrIN3O2S/c24-16-6-9-18(10-7-16)26-21(29)14-31-23-27-20-11-8-17(25)12-19(20)22(30)28(23)13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,26,29)"	C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NC4=CC=C(C=C4)Br	JWBGEYOQJUEEJJ-UHFFFAOYSA-N
DG59403	2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide	402024	NSC715719; CHEMBL1992136; NSC-715719; NCI60_039989	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715719	.	.	.	.	527.4	C23H18IN3O2S	87.1	646	4.9	30	1	4	6	"InChI=1S/C23H18IN3O2S/c24-17-11-12-20-19(13-17)22(29)27(14-16-7-3-1-4-8-16)23(26-20)30-15-21(28)25-18-9-5-2-6-10-18/h1-13H,14-15H2,(H,25,28)"	C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NC4=CC=CC=C4	MTDZODBUQZPTLJ-UHFFFAOYSA-N
DG59404	N-[[2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]formamide	402031	NSC715726; CHEMBL1983731; NSC-715726; NCI60_039992	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715726	.	.	.	.	494.3	C18H15IN4O3S	116	597	2.8	27	2	5	5	"InChI=1S/C18H15IN4O3S/c19-13-6-7-15-14(8-13)17(26)23(9-12-4-2-1-3-5-12)18(21-15)27-10-16(25)22-20-11-24/h1-8,11H,9-10H2,(H,20,24)(H,22,25)"	C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NNC=O	JQSGMHOAVWZCKE-UHFFFAOYSA-N
DG59405	N'-[2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]benzohydrazide	402032	NSC715727; CHEMBL1999945; NSC-715727; NCI60_039993	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715727	.	.	.	.	570.4	C24H19IN4O3S	116	752	4.5	33	2	5	6	"InChI=1S/C24H19IN4O3S/c25-18-11-12-20-19(13-18)23(32)29(14-16-7-3-1-4-8-16)24(26-20)33-15-21(30)27-28-22(31)17-9-5-2-6-10-17/h1-13H,14-15H2,(H,27,30)(H,28,31)"	C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NNC(=O)C4=CC=CC=C4	VFXKHWXPDLGZCY-UHFFFAOYSA-N
DG59406	"3-Benzyl-6-iodo-2-(1,3,4-oxadiazol-2-ylmethylsulfanyl)quinazolin-4-one"	402037	NSC715732; CHEMBL1992336; NSC-715732; NCI60_039995	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715732	.	.	.	.	476.3	C18H13IN4O2S	96.9	543	3.3	26	0	6	5	"InChI=1S/C18H13IN4O2S/c19-13-6-7-15-14(8-13)17(24)23(9-12-4-2-1-3-5-12)18(21-15)26-10-16-22-20-11-25-16/h1-8,11H,9-10H2"	C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC4=NN=CO4	BPGXZKRXKXIJIC-UHFFFAOYSA-N
DG59407	"3-Benzyl-6-iodo-2-(1,3,4-thiadiazol-2-ylmethylsulfanyl)quinazolin-4-one"	402038	NSC715733; CHEMBL1983471; NSC-715733; NCI60_039996	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715733	.	.	.	.	492.4	C18H13IN4OS2	112	543	3.9	26	0	6	5	"InChI=1S/C18H13IN4OS2/c19-13-6-7-15-14(8-13)17(24)23(9-12-4-2-1-3-5-12)18(21-15)25-10-16-22-20-11-26-16/h1-8,11H,9-10H2"	C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC4=NN=CS4	DEDGHERLFSPWJO-UHFFFAOYSA-N
DG59408	"2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-dioxopyrrolidin-1-yl)acetamide"	402040	NSC715735; CHEMBL2003241; NSC-715735; NCI60_039997	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715735	.	.	.	.	548.4	C21H17IN4O4S	124	769	2.4	31	1	6	5	"InChI=1S/C21H17IN4O4S/c22-14-6-7-16-15(10-14)20(30)25(11-13-4-2-1-3-5-13)21(23-16)31-12-17(27)24-26-18(28)8-9-19(26)29/h1-7,10H,8-9,11-12H2,(H,24,27)"	C1CC(=O)N(C1=O)NC(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4	GYEUKVOSDKYKKX-UHFFFAOYSA-N
DG59409	"2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide"	402042	NSC715737; CHEMBL2006408; NSC-715737; NCI60_039998	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715737	.	.	.	.	628.5	C26H21IN4O3S2	133	862	5.1	36	1	6	6	"InChI=1S/C26H21IN4O3S2/c27-19-11-12-21-20(13-19)24(34)30(14-17-7-3-1-4-8-17)26(28-21)36-15-22(32)29-31-23(33)16-35-25(31)18-9-5-2-6-10-18/h1-13,25H,14-16H2,(H,29,32)"	C1C(=O)N(C(S1)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C=C(C=C4)I)C(=O)N3CC5=CC=CC=C5	SKYUCLJLPXAXTD-UHFFFAOYSA-N
DG59410	"4-Benzyl-7-iodo-1,2-dihydroimidazo[1,2-a]quinazolin-5-one"	402044	NSC715739; CHEMBL1999849; NSC-715739; NCI60_039999	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715739	.	.	.	.	403.22	C17H14IN3O	35.9	475	2.6	22	0	2	2	"InChI=1S/C17H14IN3O/c18-13-6-7-15-14(10-13)16(22)21(17-19-8-9-20(15)17)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2"	C1CN2C3=C(C=C(C=C3)I)C(=O)N(C2=N1)CC4=CC=CC=C4	CKRQYEUUIVEWOC-UHFFFAOYSA-N
DG59411	"3-Benzyl-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-6-iodoquinazolin-4-one"	402047	NSC715742; CHEMBL2003453; NSC-715742; NCI60_040002	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715742	.	.	.	.	530.4	C22H19IN4O2S	92.9	684	4.7	30	0	5	5	"InChI=1S/C22H19IN4O2S/c1-14-10-15(2)27(25-14)20(28)13-30-22-24-19-9-8-17(23)11-18(19)21(29)26(22)12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3"	CC1=CC(=NN1C(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4)C	BQSBTOIYXWZKRI-UHFFFAOYSA-N
DG59412	"4-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyldiazinane-3,6-dione"	402050	NSC715745; CHEMBL2006951; NSC-715745; NCI60_040005	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715745	.	.	.	.	506.3	C19H15IN4O3S	116	682	2.6	28	2	5	4	"InChI=1S/C19H15IN4O3S/c20-12-6-7-14-13(8-12)18(27)24(10-11-4-2-1-3-5-11)19(21-14)28-15-9-16(25)22-23-17(15)26/h1-8,15H,9-10H2,(H,22,25)(H,23,26)"	C1C(C(=O)NNC1=O)SC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4	VDOVNXNVLFLZKM-UHFFFAOYSA-N
DG59413	2-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]propanedinitrile	402055	NSC715751; CHEMBL2006662; NSC-715751; NCI60_040010	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715751	.	.	.	.	286.29	C16H10N6	101	487	3.2	22	1	5	3	"InChI=1S/C16H10N6/c17-9-13(10-18)22-21-12-7-5-11(6-8-12)16-19-14-3-1-2-4-15(14)20-16/h1-8,13H,(H,19,20)"	C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=NC(C#N)C#N	CRAVFEIKYDYXPC-UHFFFAOYSA-N
DG59414	"4-[[4-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-N,N-dimethylaniline"	402057	NSC715753; Oprea1_648240; CHEMBL2000547; NSC-715753; NCI60_040011	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715753	.	.	.	.	340.4	C22H20N4	44.3	461	4.7	26	1	3	4	"InChI=1S/C22H20N4/c1-26(2)19-13-7-16(8-14-19)15-23-18-11-9-17(10-12-18)22-24-20-5-3-4-6-21(20)25-22/h3-15H,1-2H3,(H,24,25)"	CN(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3	QTBYJQKODAGKPO-UHFFFAOYSA-N
DG59415	2-[[4-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol	402059	NSC715755; Oprea1_588809; CHEMBL1995359; NSC-715755; NCI60_040013	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715755	.	.	.	.	313.4	C20H15N3O	61.3	433	4.2	24	2	3	3	"InChI=1S/C20H15N3O/c24-19-8-4-1-5-15(19)13-21-16-11-9-14(10-12-16)20-22-17-6-2-3-7-18(17)23-20/h1-13,24H,(H,22,23)"	C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)O	BRJNPDFBMUALFN-UHFFFAOYSA-N
DG59416	2-[[4-(1H-benzimidazol-2-yl)anilino]diazenyl]propanoic acid	402061	NSC715757; CHEMBL1969806; NSC-715757; NCI60_040015	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715757	.	.	.	.	309.32	C16H15N5O2	103	436	3.8	23	3	6	5	"InChI=1S/C16H15N5O2/c1-10(16(22)23)19-21-20-12-8-6-11(7-9-12)15-17-13-4-2-3-5-14(13)18-15/h2-10H,1H3,(H,17,18)(H,19,20)(H,22,23)"	CC(C(=O)O)N=NNC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2	VWEBBEXXPSZZBN-UHFFFAOYSA-N
DG59417	NSC715763	402064	N-[3-[methyl-[3-[(1-phenylbenzo[g]indazole-3-carbonyl)amino]propyl]amino]propyl]-1-phenylbenzo[g]indazole-3-carboxamide;hydrochloride; NSC715763; CHEMBL2004972; NSC-715763	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715763	.	.	.	.	722.3	C43H40ClN7O2	97.1	1090	.	53	3	5	12	"InChI=1S/C43H39N7O2.ClH/c1-48(28-12-26-44-42(51)38-36-24-22-30-14-8-10-20-34(30)40(36)49(46-38)32-16-4-2-5-17-32)29-13-27-45-43(52)39-37-25-23-31-15-9-11-21-35(31)41(37)50(47-39)33-18-6-3-7-19-33;/h2-11,14-25H,12-13,26-29H2,1H3,(H,44,51)(H,45,52);1H"	CN(CCCNC(=O)C1=NN(C2=C1C=CC3=CC=CC=C32)C4=CC=CC=C4)CCCNC(=O)C5=NN(C6=C5C=CC7=CC=CC=C76)C8=CC=CC=C8.Cl	MUKTULSCHXIHKE-UHFFFAOYSA-N
DG59418	NSC715764	402066	N-[2-[methyl-[2-[(1-phenylbenzo[g]indazole-3-carbonyl)amino]ethyl]amino]ethyl]-1-phenylbenzo[g]indazole-3-carboxamide;hydrochloride; NSC715764; CHEMBL1991671; NSC-715764	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715764	.	.	.	.	694.2	C41H36ClN7O2	97.1	1060	.	51	3	5	10	"InChI=1S/C41H35N7O2.ClH/c1-46(26-24-42-40(49)36-34-22-20-28-12-8-10-18-32(28)38(34)47(44-36)30-14-4-2-5-15-30)27-25-43-41(50)37-35-23-21-29-13-9-11-19-33(29)39(35)48(45-37)31-16-6-3-7-17-31;/h2-23H,24-27H2,1H3,(H,42,49)(H,43,50);1H"	CN(CCNC(=O)C1=NN(C2=C1C=CC3=CC=CC=C32)C4=CC=CC=C4)CCNC(=O)C5=NN(C6=C5C=CC7=CC=CC=C76)C8=CC=CC=C8.Cl	MKWFNTIBENSCEI-UHFFFAOYSA-N
DG59419	N-[3-[3-(2H-benzo[g]indazole-3-carbonylamino)propyl-methylamino]propyl]-2H-benzo[g]indazole-3-carboxamide	402072	NSC715767; CHEMBL1991255; NSC-715767; NCI60_040021	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715767	.	.	.	.	533.6	C31H31N7O2	119	805	5.4	40	4	5	10	"InChI=1S/C31H31N7O2/c1-38(18-6-16-32-30(39)28-24-14-12-20-8-2-4-10-22(20)26(24)34-36-28)19-7-17-33-31(40)29-25-15-13-21-9-3-5-11-23(21)27(25)35-37-29/h2-5,8-15H,6-7,16-19H2,1H3,(H,32,39)(H,33,40)(H,34,36)(H,35,37)"	CN(CCCNC(=O)C1=C2C=CC3=CC=CC=C3C2=NN1)CCCNC(=O)C4=C5C=CC6=CC=CC=C6C5=NN4	DFNQOTXQSPUHRZ-UHFFFAOYSA-N
DG59420	"5-methoxy-1-methyl-2-phenyl-4H-pyrazolo[1,5-a]indol-1-ium;trifluoromethanesulfonate"	402080	NSC715778; CHEMBL1995518; NSC-715778	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715778	.	.	.	.	426.4	C19H17F3N2O4S	83.6	513	.	29	0	7	2	"InChI=1S/C18H17N2O.CHF3O3S/c1-19-17(13-7-4-3-5-8-13)12-14-11-15-16(20(14)19)9-6-10-18(15)21-2;2-1(3,4)8(5,6)7/h3-10,12H,11H2,1-2H3;(H,5,6,7)/q+1;/p-1"	C[N+]1=C(C=C2N1C3=C(C2)C(=CC=C3)OC)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]	SFADEOOUBNVQFK-UHFFFAOYSA-M
DG59421	"N-Benzyl-5,3-dimethoxy-5,11-oxo-11H-indeno~[1,2-c]isoquinolone"	402104	"NSC715841; CHEMBL1990059; SCHEMBL20944815; NSC-715841; NCI60_040039; N-Benzyl-5,3-dimethoxy-5,11-oxo-11H-indeno~[1,2-c]isoquinolone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715841	.	.	.	.	397.4	C25H19NO4	55.8	725	3.8	30	0	4	4	"InChI=1S/C25H19NO4/c1-29-20-12-18-19(13-21(20)30-2)25(28)26(14-15-8-4-3-5-9-15)23-16-10-6-7-11-17(16)24(27)22(18)23/h3-13H,14H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CC5=CC=CC=C5)OC	VSJHTBREBCSWSI-UHFFFAOYSA-N
DG59422	"(3S,5S)-4-[(4-methoxyphenyl)methyl]-3,5-diphenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;chloride"	402110	NSC715971; CHEMBL1984614; NSC-715971	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715971	.	.	.	.	420	C27H30ClNO	9.2	483	.	30	0	2	5	"InChI=1S/C27H30NO.ClH/c1-29-25-16-12-21(13-17-25)20-28-24(14-18-26(28)22-8-4-2-5-9-22)15-19-27(28)23-10-6-3-7-11-23;/h2-13,16-17,24,26-27H,14-15,18-20H2,1H3;1H/q+1;/p-1/t24 ,26-,27-,28 ;/m0./s1"	COC1=CC=C(C=C1)C[N+]23[C@@H](CCC2CC[C@H]3C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]	UFEKRYHIXFKFKL-BLSYMFMPSA-M
DG59423	"(3S,5S)-4-benzyl-3,5-diphenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;chloride"	402112	NSC715972; CHEMBL1964451; NSC-715972	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715972	.	.	.	.	390	C26H28ClN	0	437	.	28	0	1	4	"InChI=1S/C26H28N.ClH/c1-4-10-21(11-5-1)20-27-24(16-18-25(27)22-12-6-2-7-13-22)17-19-26(27)23-14-8-3-9-15-23;/h1-15,24-26H,16-20H2;1H/q+1;/p-1/t24 ,25-,26-,27 ;/m0./s1"	C1CC2CC[C@H]([N+]2([C@@H]1C3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5.[Cl-]	UYAPNLJFPOXZNW-CZXXIYROSA-M
DG59424	"(3S,5S)-4-benzyl-3,5-bis(2-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;chloride"	402114	NSC715973; CHEMBL1969414; NSC-715973	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715973	.	.	.	.	450	C28H32ClNO2	18.5	537	.	32	0	3	6	"InChI=1S/C28H32NO2.ClH/c1-30-27-14-8-6-12-23(27)25-18-16-22-17-19-26(24-13-7-9-15-28(24)31-2)29(22,25)20-21-10-4-3-5-11-21;/h3-15,22,25-26H,16-20H2,1-2H3;1H/q+1;/p-1/t22 ,25-,26-,29 ;/m0./s1"	COC1=CC=CC=C1[C@@H]2CCC3[N+]2([C@@H](CC3)C4=CC=CC=C4OC)CC5=CC=CC=C5.[Cl-]	OAEZYKYBOOSSBK-JPGQFNKISA-M
DG59425	"2-(14,16-Diphenyl-2,13-diazapentacyclo[11.8.0.01,17.03,12.04,9]henicosa-2,4,6,8,11,14-hexaen-10-ylidene)indene-1,3-dione"	402131	NSC715988; CHEMBL1969009; NSC-715988; NCI60_040053	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715988	.	.	.	.	570.7	C40H30N2O2	49.7	1310	8.3	44	0	4	2	"InChI=1S/C40H30N2O2/c43-38-29-19-9-10-20-30(29)39(44)36(38)32-24-35-37(28-18-8-7-17-27(28)32)41-40-22-12-11-21-33(40)31(25-13-3-1-4-14-25)23-34(42(35)40)26-15-5-2-6-16-26/h1-10,13-20,23-24,31,33H,11-12,21-22H2"	C1CCC23C(C1)C(C=C(N2C4=CC(=C5C(=O)C6=CC=CC=C6C5=O)C7=CC=CC=C7C4=N3)C8=CC=CC=C8)C9=CC=CC=C9	VZUHURHOGWDWGS-UHFFFAOYSA-N
DG59426	"N-(Dichlorophosphino)-N-[3,5-bis(trifluoromethyl)phenyl]-5H-dibenzo[a,d]cycloheptene-5-amine"	402140	"NSC716000; CHEMBL1995617; NSC-716000; NCI60_040060; N-(Dichlorophosphino)-N-[3,5-bis(trifluoromethyl)phenyl]-5H-dibenzo[a,d]cycloheptene-5-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716000	.	.	.	.	520.2	C23H14Cl2F6NP	3.2	651	9	33	0	7	2	"InChI=1S/C23H14Cl2F6NP/c24-33(25)32(18-12-16(22(26,27)28)11-17(13-18)23(29,30)31)21-19-7-3-1-5-14(19)9-10-15-6-2-4-8-20(15)21/h1-13,21H"	C1=CC=C2C(C3=CC=CC=C3C=CC2=C1)N(C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)P(Cl)Cl	JYHKXFTUBINQOT-UHFFFAOYSA-N
DG59427	"3',3'''-Dithio-[3,3''-dithiobis(6,6'-dimethoxybiphenyl-2,2'-diol)]"	402151	"NSC716011; CHEMBL2001187; NSC-716011; NCI60_040063; 3',3'''-Dithio-[3,3''-dithiobis(6,6'-dimethoxybiphenyl-2,2'-diol)]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716011	.	.	.	.	616.8	C28H24O8S4	219	686	5.9	40	4	12	4	"InChI=1S/C28H24O8S4/c1-33-13-5-9-17-25(29)21(13)22-14(34-2)6-10-18(26(22)30)38-40-20-12-8-16(36-4)24(28(20)32)23-15(35-3)7-11-19(27(23)31)39-37-17/h5-12,29-32H,1-4H3"	COC1=C2C3=C(C=CC(=C3O)SSC4=C(C(=C(C=C4)OC)C5=C(C=CC(=C5O)SSC(=C2O)C=C1)OC)O)OC	SHTIVYHBZQHROY-UHFFFAOYSA-N
DG59428	"9,10-Dimethyl-9,10-[oxy[(diphenylphosphinyl)imino]]-9,10-dihydroanthracene"	402155	"NSC716015; CHEMBL1990967; NSC-716015; NCI60_040065; 9,10-Dimethyl-9,10-[oxy[(diphenylphosphinyl)imino]]-9,10-dihydroanthracene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716015	.	.	.	.	437.5	C28H24NO2P	29.5	694	5.7	32	0	3	3	"InChI=1S/C28H24NO2P/c1-27-23-17-9-11-19-25(23)28(2,26-20-12-10-18-24(26)27)31-29(27)32(30,21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-20H,1-2H3"	CC12C3=CC=CC=C3C(C4=CC=CC=C41)(ON2P(=O)(C5=CC=CC=C5)C6=CC=CC=C6)C	FZFFUVRVOVOCSC-UHFFFAOYSA-N
DG59429	"3-(3-Chlorophenyl)-2-(2,6-dichlorophenyl)-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one"	402185	"NSC716049; CHEMBL1983119; NSC-716049; NCI60_040079; 3-(3-chloro-phenyl)-2-(2,6-dichloro-phenyl)-2,3-dihydro-1h-[1,2,4]triazolo[5,1-b]quinazolin-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716049	.	.	.	.	443.7	C21H13Cl3N4O	47.9	666	5.5	29	1	3	2	"InChI=1S/C21H13Cl3N4O/c22-12-5-3-6-13(11-12)27-19(18-15(23)8-4-9-16(18)24)26-28-20(29)14-7-1-2-10-17(14)25-21(27)28/h1-11,19,26H"	C1=CC=C2C(=C1)C(=O)N3C(=N2)N(C(N3)C4=C(C=CC=C4Cl)Cl)C5=CC(=CC=C5)Cl	NPEHKOSMKFKFBS-UHFFFAOYSA-N
DG59430	"5-[2-(2,5-Dihydroxy-phenyl)-ethyl]-N-hexyl-2-hydroxy-benzamide"	402189	"CHEMBL45559; NSC716056; BDBM50127065; NSC-716056; NCI60_040083; 5-[2-(2,5-Dihydroxy-phenyl)-ethyl]-N-hexyl-2-hydroxy-benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716056	.	.	.	.	357.4	C21H27NO4	89.8	417	5.2	26	4	4	9	"InChI=1S/C21H27NO4/c1-2-3-4-5-12-22-21(26)18-13-15(7-10-20(18)25)6-8-16-14-17(23)9-11-19(16)24/h7,9-11,13-14,23-25H,2-6,8,12H2,1H3,(H,22,26)"	CCCCCCNC(=O)C1=C(C=CC(=C1)CCC2=C(C=CC(=C2)O)O)O	GTQFMNGGLLWWNL-UHFFFAOYSA-N
DG59431	2-Chloro-3-phenyl-5-(trichloromethyl)pyrazine	402191	2-chloro-3-phenyl-5-(trichloromethyl)pyrazine; NSC716058; CHEMBL1982493; NSC-716058; NCI60_040084	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716058	.	.	.	.	308	C11H6Cl4N2	25.8	250	4.1	17	0	2	1	"InChI=1S/C11H6Cl4N2/c12-10-9(7-4-2-1-3-5-7)17-8(6-16-10)11(13,14)15/h1-6H"	C1=CC=C(C=C1)C2=NC(=CN=C2Cl)C(Cl)(Cl)Cl	XZXCEDQKRAVPCL-UHFFFAOYSA-N
DG59432	1-(6-bromo-2-chloroquinolin-3-yl)-N-(4-chlorophenyl)methanimine	402198	NSC716089; CHEMBL1996968; NSC-716089; NCI60_040089	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716089	.	.	.	.	380.1	C16H9BrCl2N2	25.2	371	5.8	21	0	2	2	InChI=1S/C16H9BrCl2N2/c17-12-1-6-15-10(8-12)7-11(16(19)21-15)9-20-14-4-2-13(18)3-5-14/h1-9H	C1=CC(=CC=C1N=CC2=C(N=C3C=CC(=CC3=C2)Br)Cl)Cl	ZFAVBSUUAKSFJQ-UHFFFAOYSA-N
DG59433	1-(6-bromo-2-chloroquinolin-3-yl)-N-(3-methoxyphenyl)methanimine	402200	NSC716091; CHEMBL1968211; NSC-716091; NCI60_040090	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716091	.	.	.	.	375.6	C17H12BrClN2O	34.5	395	5.1	22	0	3	3	"InChI=1S/C17H12BrClN2O/c1-22-15-4-2-3-14(9-15)20-10-12-7-11-8-13(18)5-6-16(11)21-17(12)19/h2-10H,1H3"	COC1=CC=CC(=C1)N=CC2=C(N=C3C=CC(=CC3=C2)Br)Cl	XRCTWBYZTMBTQR-UHFFFAOYSA-N
DG59434	"5-(6-Bromo-2-chloroquinolin-3-yl)-3-(4-chlorophenyl)-1,2-oxazole"	402201	NSC716092; CHEMBL1985509; NSC-716092; NCI60_040091	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716092	.	.	.	.	420.1	C18H9BrCl2N2O	38.9	435	6.2	24	0	3	2	InChI=1S/C18H9BrCl2N2O/c19-12-3-6-15-11(7-12)8-14(18(21)22-15)17-9-16(23-24-17)10-1-4-13(20)5-2-10/h1-9H	C1=CC(=CC=C1C2=NOC(=C2)C3=C(N=C4C=CC(=CC4=C3)Br)Cl)Cl	CEUNXCOKTDIRPE-UHFFFAOYSA-N
DG59435	"6-bromo-2-chloro-3-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline"	402204	NSC716095; CHEMBL1998804; NSC-716095; NCI60_040092	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716095	.	.	.	.	416.7	C19H15BrClN3O	46.5	497	5.2	25	1	4	3	"InChI=1S/C19H15BrClN3O/c1-25-14-5-2-11(3-6-14)17-10-18(24-23-17)15-9-12-8-13(20)4-7-16(12)22-19(15)21/h2-9,18,24H,10H2,1H3"	COC1=CC=C(C=C1)C2=NNC(C2)C3=C(N=C4C=CC(=CC4=C3)Br)Cl	AQBPHVFYERZJRX-UHFFFAOYSA-N
DG59436	N-[4-[[cyano-(3-phenoxyphenyl)methyl]amino]phenyl]propanamide	402218	NSC716109; CHEMBL1990680; NSC-716109; NCI60_040096	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716109	.	.	.	.	371.4	C23H21N3O2	74.2	529	4.6	28	2	4	7	"InChI=1S/C23H21N3O2/c1-2-23(27)26-19-13-11-18(12-14-19)25-22(16-24)17-7-6-10-21(15-17)28-20-8-4-3-5-9-20/h3-15,22,25H,2H2,1H3,(H,26,27)"	CCC(=O)NC1=CC=C(C=C1)NC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3	BIMFOHNJASKBNW-UHFFFAOYSA-N
DG59437	N-[4-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide	402220	NSC716111; CHEMBL2001395; NSC-716111; NCI60_040098	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716111	.	.	.	.	327.4	C18H21N3O3	79.5	400	2.4	24	3	4	7	"InChI=1S/C18H21N3O3/c1-3-17(22)20-14-6-4-13(5-7-14)19-12-18(23)21-15-8-10-16(24-2)11-9-15/h4-11,19H,3,12H2,1-2H3,(H,20,22)(H,21,23)"	CCC(=O)NC1=CC=C(C=C1)NCC(=O)NC2=CC=C(C=C2)OC	MQTOYJSUEYMYMS-UHFFFAOYSA-N
DG59438	"2-(6-benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-(furan-2-yl)benzamide"	402231	NSC716122; CHEMBL1968752; NSC-716122; NCI60_040102	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716122	.	.	.	.	545.2	C25H13Cl4N3O3	88	785	7.2	35	2	4	5	"InChI=1S/C25H13Cl4N3O3/c26-19-17(18(20(27)22(29)21(19)28)25(34)32-16-7-4-10-35-16)24-30-14-9-8-13(11-15(14)31-24)23(33)12-5-2-1-3-6-12/h1-11H,(H,30,31)(H,32,34)"	C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)NC5=CC=CO5	BZAWPKMWYPQOSN-UHFFFAOYSA-N
DG59439	"phenyl-[2-[2,3,4,5-tetrachloro-6-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-benzimidazol-5-yl]methanone"	402241	NSC716132; CHEMBL1967522; NSC-716132; NCI60_040109	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716132	.	.	.	.	580.2	C28H14Cl4N4O2	84.7	829	8.2	38	1	5	5	"InChI=1S/C28H14Cl4N4O2/c29-21-19(26-33-17-12-11-16(13-18(17)34-26)25(37)14-7-3-1-4-8-14)20(22(30)24(32)23(21)31)28-36-35-27(38-28)15-9-5-2-6-10-15/h1-13H,(H,33,34)"	C1=CC=C(C=C1)C2=NN=C(O2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C4=NC5=C(N4)C=C(C=C5)C(=O)C6=CC=CC=C6	XPQWRFMWKOTDFW-UHFFFAOYSA-N
DG59440	4-acetamido-N-[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-2-methoxybenzamide	402256	NSC716147; CHEMBL1974352; NSC-716147; NCI60_040122	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716147	.	.	.	.	433.8	C20H20ClN3O6	117	665	1.6	30	3	6	5	"InChI=1S/C20H20ClN3O6/c1-10(25)22-12-5-6-13(15(9-12)29-2)19(27)23-24-18(17(21)20(24)28)11-4-7-14(26)16(8-11)30-3/h4-9,17-18,26H,1-3H3,(H,22,25)(H,23,27)"	CC(=O)NC1=CC(=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=C(C=C3)O)OC)OC	RHQPBWBKLBNKDQ-UHFFFAOYSA-N
DG59441	"4-acetamido-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-methoxybenzamide"	402263	NSC716154; CHEMBL1972304; NSC-716154; NCI60_040124	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716154	.	.	.	.	431.5	C20H21N3O6S	143	650	1.7	30	3	7	5	"InChI=1S/C20H21N3O6S/c1-11(24)21-13-5-6-14(16(9-13)28-2)19(27)22-23-18(26)10-30-20(23)12-4-7-15(25)17(8-12)29-3/h4-9,20,25H,10H2,1-3H3,(H,21,24)(H,22,27)"	CC(=O)NC1=CC(=C(C=C1)C(=O)NN2C(SCC2=O)C3=CC(=C(C=C3)O)OC)OC	XVIPIIATAHTROV-UHFFFAOYSA-N
DG59442	"5-(2-aminophenyl)-N-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazol-2-amine"	402292	NSC716183; CHEMBL1997165; ZINC01660567; NSC-716183; NCI60_040143	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716183	.	.	.	.	312.4	C16H16N4OS	101	359	3.6	22	2	6	4	"InChI=1S/C16H16N4OS/c1-10-7-8-14(21-2)13(9-10)18-16-20-19-15(22-16)11-5-3-4-6-12(11)17/h3-9H,17H2,1-2H3,(H,18,20)"	CC1=CC(=C(C=C1)OC)NC2=NN=C(S2)C3=CC=CC=C3N	YNZJNMUULMRBBL-UHFFFAOYSA-N
DG59443	"5-(4-aminophenyl)-N-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazol-2-amine"	402293	NSC716184; CHEMBL1979716; NSC-716184; NCI60_040144	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716184	.	.	.	.	312.4	C16H16N4OS	101	351	3.6	22	2	6	4	"InChI=1S/C16H16N4OS/c1-10-3-8-14(21-2)13(9-10)18-16-20-19-15(22-16)11-4-6-12(17)7-5-11/h3-9H,17H2,1-2H3,(H,18,20)"	CC1=CC(=C(C=C1)OC)NC2=NN=C(S2)C3=CC=C(C=C3)N	YAVDYPHYLFWKDL-UHFFFAOYSA-N
DG59444	"N-[4-[[(2,4-dichlorophenyl)sulfonylamino]carbamoyl]-3-ethoxyphenyl]acetamide"	402302	NSC716193; CHEMBL1992146; NSC-716193; NCI60_040149	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716193	.	.	.	.	446.3	C17H17Cl2N3O5S	122	658	2.8	28	3	6	7	"InChI=1S/C17H17Cl2N3O5S/c1-3-27-15-9-12(20-10(2)23)5-6-13(15)17(24)21-22-28(25,26)16-7-4-11(18)8-14(16)19/h4-9,22H,3H2,1-2H3,(H,20,23)(H,21,24)"	CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NNS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl	HKERNQMRUINGBB-UHFFFAOYSA-N
DG59445	[2-[[(4-Acetamido-2-ethoxybenzoyl)amino]carbamoyl]phenyl] acetate	402303	NSC716194; CHEMBL1984451; NSC-716194; NCI60_040150	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716194	.	.	.	.	399.4	C20H21N3O6	123	611	1.6	29	3	6	7	"InChI=1S/C20H21N3O6/c1-4-28-18-11-14(21-12(2)24)9-10-16(18)20(27)23-22-19(26)15-7-5-6-8-17(15)29-13(3)25/h5-11H,4H2,1-3H3,(H,21,24)(H,22,26)(H,23,27)"	CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NNC(=O)C2=CC=CC=C2OC(=O)C	RZOGGGZUALLDHU-UHFFFAOYSA-N
DG59446	4-acetamido-2-ethoxy-N-(2-oxo-3-phenoxy-4-phenylazetidin-1-yl)benzamide	402308	NSC716199; CHEMBL1993986; NSC-716199; NCI60_040152	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716199	.	.	.	.	459.5	C26H25N3O5	97	719	3.4	34	2	5	7	"InChI=1S/C26H25N3O5/c1-3-33-22-16-19(27-17(2)30)14-15-21(22)25(31)28-29-23(18-10-6-4-7-11-18)24(26(29)32)34-20-12-8-5-9-13-20/h4-16,23-24H,3H2,1-2H3,(H,27,30)(H,28,31)"	CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(C(C2=O)OC3=CC=CC=C3)C4=CC=CC=C4	FKCLBTSAUSGPMX-UHFFFAOYSA-N
DG59447	4-acetamido-2-ethoxy-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3-phenoxyazetidin-1-yl]benzamide	402311	NSC716202; CHEMBL1964724; NSC-716202; NCI60_040153	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716202	.	.	.	.	505.5	C27H27N3O7	126	805	3.1	37	3	7	8	"InChI=1S/C27H27N3O7/c1-4-36-22-15-18(28-16(2)31)11-12-20(22)26(33)29-30-24(17-10-13-21(32)23(14-17)35-3)25(27(30)34)37-19-8-6-5-7-9-19/h5-15,24-25,32H,4H2,1-3H3,(H,28,31)(H,29,33)"	CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(C(C2=O)OC3=CC=CC=C3)C4=CC(=C(C=C4)O)OC	FWCLBJMXRRMPGA-UHFFFAOYSA-N
DG59448	4-acetamido-N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-2-ethoxybenzamide	402312	NSC716203; CHEMBL1997756; NSC-716203; NCI60_040154	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716203	.	.	.	.	401.8	C20H20ClN3O4	87.7	596	2.4	28	2	4	5	"InChI=1S/C20H20ClN3O4/c1-3-28-16-11-14(22-12(2)25)9-10-15(16)19(26)23-24-18(17(21)20(24)27)13-7-5-4-6-8-13/h4-11,17-18H,3H2,1-2H3,(H,22,25)(H,23,26)"	CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(C(C2=O)Cl)C3=CC=CC=C3	WSHRVPPXGNTILO-UHFFFAOYSA-N
DG59449	"4-acetamido-2-ethoxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide"	402315	NSC716206; CHEMBL1979959; ZINC01094195; NSC-716206; NCI60_040157	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716206	.	.	.	.	399.5	C20H21N3O4S	113	582	2.5	28	2	5	5	"InChI=1S/C20H21N3O4S/c1-3-27-17-11-15(21-13(2)24)9-10-16(17)19(26)22-23-18(25)12-28-20(23)14-7-5-4-6-8-14/h4-11,20H,3,12H2,1-2H3,(H,21,24)(H,22,26)"	CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(SCC2=O)C3=CC=CC=C3	JZLZRMODUWYVSC-UHFFFAOYSA-N
DG59450	4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(4-chlorophenyl)azetidin-2-one	402318	NSC716209; CHEMBL1980560; NSC-716209; NCI60_040159	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716209	.	.	.	.	456.5	C18H10BrCl3N2O	33.2	517	5.8	25	0	2	2	"InChI=1S/C18H10BrCl3N2O/c19-10-1-6-14-9(7-10)8-13(17(22)23-14)16-15(21)18(25)24(16)12-4-2-11(20)3-5-12/h1-8,15-16H"	C1=CC(=CC=C1N2C(C(C2=O)Cl)C3=C(N=C4C=CC(=CC4=C3)Br)Cl)Cl	IDWKHNRJAGCQDC-UHFFFAOYSA-N
DG59451	"2-Azetidinone, 4-(6-bromo-2-chloro-3-quinolinyl)-3-chloro-1-(3-chloro-4-fluorophenyl)-"	402319	"NSC716210; CHEMBL1992277; NSC-716210; NCI60_040160; 2-Azetidinone, 4-(6-bromo-2-chloro-3-quinolinyl)- 3-chloro-1-(3-chloro-4-fluorophenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716210	.	.	.	.	474.5	C18H9BrCl3FN2O	33.2	559	5.9	26	0	3	2	"InChI=1S/C18H9BrCl3FN2O/c19-9-1-4-14-8(5-9)6-11(17(22)24-14)16-15(21)18(26)25(16)10-2-3-13(23)12(20)7-10/h1-7,15-16H"	C1=CC(=C(C=C1N2C(C(C2=O)Cl)C3=C(N=C4C=CC(=CC4=C3)Br)Cl)Cl)F	QFQFIQWWLKOPSY-UHFFFAOYSA-N
DG59452	"4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(2,6-dichlorophenyl)azetidin-2-one"	402320	NSC716211; CHEMBL1982486; NSC-716211; NCI60_040161	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716211	.	.	.	.	491	C18H9BrCl4N2O	33.2	545	6.4	26	0	2	2	"InChI=1S/C18H9BrCl4N2O/c19-9-4-5-13-8(6-9)7-10(17(23)24-13)15-14(22)18(26)25(15)16-11(20)2-1-3-12(16)21/h1-7,14-15H"	C1=CC(=C(C(=C1)Cl)N2C(C(C2=O)Cl)C3=C(N=C4C=CC(=CC4=C3)Br)Cl)Cl	MNJGKVUCKBAOIV-UHFFFAOYSA-N
DG59453	4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(4-methoxyphenyl)azetidin-2-one	402321	NSC716212; CHEMBL1995956; NSC-716212; NCI60_040162	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716212	.	.	.	.	452.1	C19H13BrCl2N2O2	42.4	532	5.1	26	0	3	3	"InChI=1S/C19H13BrCl2N2O2/c1-26-13-5-3-12(4-6-13)24-17(16(21)19(24)25)14-9-10-8-11(20)2-7-15(10)23-18(14)22/h2-9,16-17H,1H3"	COC1=CC=C(C=C1)N2C(C(C2=O)Cl)C3=C(N=C4C=CC(=CC4=C3)Br)Cl	YZGQWJZFEFQYRQ-UHFFFAOYSA-N
DG59454	"2-(6-Bromo-2-chloroquinolin-3-yl)-3-(4-chlorophenyl)-1,3-thiazolidin-4-one"	402322	NSC716213; CHEMBL2001112; NSC-716213; NCI60_040163	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716213	.	.	.	.	454.2	C18H11BrCl2N2OS	58.5	506	5.9	25	0	3	2	"InChI=1S/C18H11BrCl2N2OS/c19-11-1-6-15-10(7-11)8-14(17(21)22-15)18-23(16(24)9-25-18)13-4-2-12(20)3-5-13/h1-8,18H,9H2"	C1C(=O)N(C(S1)C2=C(N=C3C=CC(=CC3=C2)Br)Cl)C4=CC=C(C=C4)Cl	ATFZXCWMQLCGGK-UHFFFAOYSA-N
DG59455	2-(6-Bromo-2-chloroquinolin-3-yl)-2-(4-methoxyanilino)acetamide	402332	NSC716223; CHEMBL2007225; NSC-716223; NCI60_040169	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716223	.	.	.	.	420.7	C18H15BrClN3O2	77.2	462	4.4	25	2	4	5	"InChI=1S/C18H15BrClN3O2/c1-25-13-5-3-12(4-6-13)22-16(18(21)24)14-9-10-8-11(19)2-7-15(10)23-17(14)20/h2-9,16,22H,1H3,(H2,21,24)"	COC1=CC=C(C=C1)NC(C2=C(N=C3C=CC(=CC3=C2)Br)Cl)C(=O)N	SXCPLXQGYVPSRQ-UHFFFAOYSA-N
DG59456	"2-methyl-5-nitro-N-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]benzenesulfonamide"	402358	NSC716270; CHEMBL1967555; NSC-716270; NCI60_040184	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716270	.	.	.	.	437.5	C22H19N3O5S	122	761	4	31	1	7	5	"InChI=1S/C22H19N3O5S/c1-15-7-12-19(25(26)27)13-22(15)31(28,29)24-18-10-8-16(9-11-18)20-14-21(30-23-20)17-5-3-2-4-6-17/h2-13,21,24H,14H2,1H3"	CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NOC(C3)C4=CC=CC=C4	LMCUMVWDQKNIAM-UHFFFAOYSA-N
DG59457	"N-[4-[5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide"	402359	NSC716271; CHEMBL1969643; NSC-716271; NCI60_040185	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716271	.	.	.	.	453.5	C22H19N3O6S	142	800	3.7	32	2	8	5	"InChI=1S/C22H19N3O6S/c1-14-6-11-17(25(27)28)12-22(14)32(29,30)24-16-9-7-15(8-10-16)19-13-21(31-23-19)18-4-2-3-5-20(18)26/h2-12,21,24,26H,13H2,1H3"	CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NOC(C3)C4=CC=CC=C4O	RMAHUHMWPKNUTI-UHFFFAOYSA-N
DG59458	"2-methyl-5-nitro-N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]benzenesulfonamide"	402362	NSC716274; CHEMBL1990938; NSC-716274; NCI60_040188	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716274	.	.	.	.	436.5	C22H20N4O4S	125	761	4	31	2	7	5	"InChI=1S/C22H20N4O4S/c1-15-7-12-19(26(27)28)13-22(15)31(29,30)25-18-10-8-17(9-11-18)21-14-20(23-24-21)16-5-3-2-4-6-16/h2-13,20,23,25H,14H2,1H3"	CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NNC(C3)C4=CC=CC=C4	WUABNKVQCNQNHX-UHFFFAOYSA-N
DG59459	"N-[4-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide"	402363	NSC716275; CHEMBL1989296; NSC-716275; NCI60_040189	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716275	.	.	.	.	452.5	C22H20N4O5S	145	800	3.7	32	3	8	5	"InChI=1S/C22H20N4O5S/c1-14-6-11-17(26(28)29)12-22(14)32(30,31)25-16-9-7-15(8-10-16)19-13-20(24-23-19)18-4-2-3-5-21(18)27/h2-12,20,24-25,27H,13H2,1H3"	CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NNC(C3)C4=CC=CC=C4O	JIXJWDBBFBNYDM-UHFFFAOYSA-N
DG59460	"2-methyl-5-nitro-N-[4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]benzenesulfonamide"	402364	NSC716276; CHEMBL1976850; NSC-716276; NCI60_040190	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716276	.	.	.	.	442.5	C20H18N4O4S2	153	756	3.8	30	2	8	5	"InChI=1S/C20H18N4O4S2/c1-13-4-9-16(24(25)26)11-20(13)30(27,28)23-15-7-5-14(6-8-15)17-12-18(22-21-17)19-3-2-10-29-19/h2-11,18,22-23H,12H2,1H3"	CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NNC(C3)C4=CC=CS4	KHPZHCZOSJDZJM-UHFFFAOYSA-N
DG59461	"N-[4-[2-(2,4-dinitrophenyl)-3-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide"	402369	NSC716281; CHEMBL1980692; NSC-716281; NCI60_040195	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716281	.	.	.	.	662.6	C30H26N6O10S	237	1270	5.4	47	2	13	8	"InChI=1S/C30H26N6O10S/c1-3-46-29-14-20(7-13-28(29)37)26-17-24(31-33(26)25-12-11-22(34(38)39)15-27(25)36(42)43)19-5-8-21(9-6-19)32-47(44,45)30-16-23(35(40)41)10-4-18(30)2/h4-16,26,32,37H,3,17H2,1-2H3"	CCOC1=C(C=CC(=C1)C2CC(=NN2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=C(C=C4)NS(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C)O	BAAKYBARSNVSLK-UHFFFAOYSA-N
DG59462	"2-methyl-N-[4-[2-(2-methyl-5-nitrophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-5-nitrobenzenesulfonamide"	402374	NSC716286; CHEMBL1987069; NSC-716286; NCI60_040200	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716286	.	.	.	.	635.7	C29H25N5O8S2	204	1290	5	44	1	11	7	"InChI=1S/C29H25N5O8S2/c1-19-8-14-24(33(35)36)16-28(19)43(39,40)31-23-12-10-21(11-13-23)26-18-27(22-6-4-3-5-7-22)32(30-26)44(41,42)29-17-25(34(37)38)15-9-20(29)2/h3-17,27,31H,18H2,1-2H3"	CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CC=C4)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C	RFTVRRQJUSNBAK-UHFFFAOYSA-N
DG59463	NSC716290	402378	"N-[4-[3-(3-ethoxy-4-hydroxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide; NSC716290; CHEMBL1981960; NSC-716290; NCI60_040204"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716290	.	.	.	.	695.7	C31H29N5O10S2	234	1400	4.9	48	2	13	9	"InChI=1S/C31H29N5O10S2/c1-4-46-29-15-22(9-14-28(29)37)27-18-26(32-34(27)48(44,45)31-17-25(36(40)41)13-6-20(31)3)21-7-10-23(11-8-21)33-47(42,43)30-16-24(35(38)39)12-5-19(30)2/h5-17,27,33,37H,4,18H2,1-3H3"	CCOC1=C(C=CC(=C1)C2CC(=NN2S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C)C4=CC=C(C=C4)NS(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C)O	ONSAOTSFIQXERJ-UHFFFAOYSA-N
DG59464	"4-chloro-N-[4-[2-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide"	402387	NSC716299; CHEMBL1976793; NSC-716299; NCI60_040213	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716299	.	.	.	.	560.5	C25H19Cl2N3O4S2	125	877	5.4	36	1	7	7	"InChI=1S/C25H19Cl2N3O4S2/c1-34-21-13-18(11-12-19(21)26)36(32,33)29-17-9-7-15(8-10-17)20-14-35-25(28-20)30-23(22(27)24(30)31)16-5-3-2-4-6-16/h2-14,22-23,29H,1H3"	COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(C(C4=O)Cl)C5=CC=CC=C5)Cl	VPDPUQBQBNFYPF-UHFFFAOYSA-N
DG59465	"4-chloro-N-[4-[2-[3-chloro-2-(2-hydroxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide"	402388	NSC716300; CHEMBL1970643; NSC-716300; NCI60_040214	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716300	.	.	.	.	576.5	C25H19Cl2N3O5S2	145	917	5	37	2	8	7	"InChI=1S/C25H19Cl2N3O5S2/c1-35-21-12-16(10-11-18(21)26)37(33,34)29-15-8-6-14(7-9-15)19-13-36-25(28-19)30-23(22(27)24(30)32)17-4-2-3-5-20(17)31/h2-13,22-23,29,31H,1H3"	COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(C(C4=O)Cl)C5=CC=CC=C5O)Cl	YJVKYMHMLRIJPY-UHFFFAOYSA-N
DG59466	"4-chloro-N-[4-[2-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide"	402389	NSC716301; CHEMBL1983947; NSC-716301; NCI60_040215	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716301	.	.	.	.	566.5	C23H17Cl2N3O4S3	154	871	5.1	35	1	8	7	"InChI=1S/C23H17Cl2N3O4S3/c1-32-18-11-15(8-9-16(18)24)35(30,31)27-14-6-4-13(5-7-14)17-12-34-23(26-17)28-21(20(25)22(28)29)19-3-2-10-33-19/h2-12,20-21,27H,1H3"	COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(C(C4=O)Cl)C5=CC=CS5)Cl	UMKKROJMEXWXGO-UHFFFAOYSA-N
DG59467	"4-chloro-N-[4-[2-[3-chloro-2-oxo-4-(3-phenoxyphenyl)azetidin-1-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide"	402390	NSC716302; CHEMBL1986975; NSC-716302; NCI60_040216	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716302	.	.	.	.	652.6	C31H23Cl2N3O5S2	134	1050	6.9	43	1	8	9	"InChI=1S/C31H23Cl2N3O5S2/c1-40-27-17-24(14-15-25(27)32)43(38,39)35-21-12-10-19(11-13-21)26-18-42-31(34-26)36-29(28(33)30(36)37)20-6-5-9-23(16-20)41-22-7-3-2-4-8-22/h2-18,28-29,35H,1H3"	COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(C(C4=O)Cl)C5=CC(=CC=C5)OC6=CC=CC=C6)Cl	NMCVKFSTCRQUOH-UHFFFAOYSA-N
DG59468	"4-chloro-3-methoxy-N-[4-[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	402392	NSC716304; CHEMBL1971624; NSC-716304; NCI60_040217	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716304	.	.	.	.	558.1	C25H20ClN3O4S3	151	861	5.5	36	1	8	7	"InChI=1S/C25H20ClN3O4S3/c1-33-22-13-19(11-12-20(22)26)36(31,32)28-18-9-7-16(8-10-18)21-14-35-25(27-21)29-23(30)15-34-24(29)17-5-3-2-4-6-17/h2-14,24,28H,15H2,1H3"	COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(SCC4=O)C5=CC=CC=C5)Cl	VQEAREVJSIICME-UHFFFAOYSA-N
DG59469	"4-chloro-3-methoxy-N-[4-[2-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	402394	NSC716306; CHEMBL1975390; NSC-716306; NCI60_040219	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716306	.	.	.	.	564.1	C23H18ClN3O4S4	179	854	5.2	35	1	9	7	"InChI=1S/C23H18ClN3O4S4/c1-31-19-11-16(8-9-17(19)24)35(29,30)26-15-6-4-14(5-7-15)18-12-34-23(25-18)27-21(28)13-33-22(27)20-3-2-10-32-20/h2-12,22,26H,13H2,1H3"	COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(SCC4=O)C5=CC=CS5)Cl	MGTWXBYQVSISFD-UHFFFAOYSA-N
DG59470	"4-chloro-3-methoxy-N-[4-[2-(5-methyl-4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	402397	NSC716309; CHEMBL1973779; NSC-716309; NCI60_040221	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716309	.	.	.	.	572.1	C26H22ClN3O4S3	151	892	5.9	37	1	8	7	"InChI=1S/C26H22ClN3O4S3/c1-16-24(31)30(25(36-16)18-6-4-3-5-7-18)26-28-22(15-35-26)17-8-10-19(11-9-17)29-37(32,33)20-12-13-21(27)23(14-20)34-2/h3-16,25,29H,1-2H3"	CC1C(=O)N(C(S1)C2=CC=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)NS(=O)(=O)C5=CC(=C(C=C5)Cl)OC	ZJTNBKYRMYDMIO-UHFFFAOYSA-N
DG59471	"4-chloro-3-methoxy-N-[4-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	402399	NSC716311; CHEMBL2001219; ZINC05579538; NSC-716311; NCI60_040223	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716311	.	.	.	.	578.2	C24H20ClN3O4S4	179	885	5.6	36	1	9	7	"InChI=1S/C24H20ClN3O4S4/c1-14-22(29)28(23(35-14)21-4-3-11-33-21)24-26-19(13-34-24)15-5-7-16(8-6-15)27-36(30,31)17-9-10-18(25)20(12-17)32-2/h3-14,23,27H,1-2H3"	CC1C(=O)N(C(S1)C2=CC=CS2)C3=NC(=CS3)C4=CC=C(C=C4)NS(=O)(=O)C5=CC(=C(C=C5)Cl)OC	FAPUZTLWQADRQD-UHFFFAOYSA-N
DG59472	"3-(1H-benzimidazol-2-yl)-5-(4-methylsulfanylphenyl)-1,2-oxazole"	402405	NSC716336; CHEMBL1972843; NSC-716336; NCI60_040229	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716336	.	.	.	.	307.4	C17H13N3OS	80	375	3.8	22	1	4	3	"InChI=1S/C17H13N3OS/c1-22-12-8-6-11(7-9-12)16-10-15(20-21-16)17-18-13-4-2-3-5-14(13)19-17/h2-10H,1H3,(H,18,19)"	CSC1=CC=C(C=C1)C2=CC(=NO2)C3=NC4=CC=CC=C4N3	BFYBEALWSDNFBZ-UHFFFAOYSA-N
DG59473	"2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl]benzamide"	402412	NSC716343; CHEMBL1993739; NSC-716343; NCI60_040234	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716343	.	.	.	.	589.1	C23H12Cl6N4O2	78.1	817	7.2	35	2	3	3	"InChI=1S/C23H12Cl6N4O2/c24-10-7-5-9(6-8-10)20-19(29)23(35)33(20)32-22(34)14-13(15(25)17(27)18(28)16(14)26)21-30-11-3-1-2-4-12(11)31-21/h1-8,19-20H,(H,30,31)(H,32,34)"	C1=CC=C2C(=C1)NC(=N2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)NN4C(C(C4=O)Cl)C5=CC=C(C=C5)Cl	PPQQKFLWAGERRF-UHFFFAOYSA-N
DG59474	"2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]benzamide"	402413	NSC716344; CHEMBL1987667; NSC-716344; NCI60_040235	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716344	.	.	.	.	597.7	C25H18Cl5N5O2	81.3	861	6.7	37	2	4	4	"InChI=1S/C25H18Cl5N5O2/c1-34(2)12-9-7-11(8-10-12)22-21(30)25(37)35(22)33-24(36)16-15(17(26)19(28)20(29)18(16)27)23-31-13-5-3-4-6-14(13)32-23/h3-10,21-22H,1-2H3,(H,31,32)(H,33,36)"	CN(C)C1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C4=NC5=CC=CC=C5N4)Cl	XRPKKOWZHZOYHW-UHFFFAOYSA-N
DG59475	"2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-(4-methylsulfanylphenyl)-4-oxoazetidin-1-yl]benzamide"	402414	NSC716345; CHEMBL1984776; NSC-716345; NCI60_040236	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716345	.	.	.	.	600.7	C24H15Cl5N4O2S	103	836	7.1	36	2	4	4	"InChI=1S/C24H15Cl5N4O2S/c1-36-11-8-6-10(7-9-11)21-20(29)24(35)33(21)32-23(34)15-14(16(25)18(27)19(28)17(15)26)22-30-12-4-2-3-5-13(12)31-22/h2-9,20-21H,1H3,(H,30,31)(H,32,34)"	CSC1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C4=NC5=CC=CC=C5N4)Cl	MZEOSUJBQDYSCH-UHFFFAOYSA-N
DG59476	"2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-(2,6-dichlorophenyl)benzamide"	402420	NSC716351; CHEMBL1990731; NSC-716351; NCI60_040240	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716351	.	.	.	.	520	C20H9Cl6N3O	57.8	619	7.8	30	2	2	3	"InChI=1S/C20H9Cl6N3O/c21-8-4-3-5-9(22)18(8)29-20(30)13-12(14(23)16(25)17(26)15(13)24)19-27-10-6-1-2-7-11(10)28-19/h1-7H,(H,27,28)(H,29,30)"	C1=CC=C2C(=C1)NC(=N2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)NC4=C(C=CC=C4Cl)Cl	HTRMIGAYWUNNDT-UHFFFAOYSA-N
DG59477	"2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]benzamide"	402422	NSC716353; Oprea1_505317; CHEMBL1983487; NSC-716353; NCI60_040242	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716353	.	.	.	.	522.2	C23H16Cl4N4O2	86.9	716	6.1	33	3	3	5	"InChI=1S/C23H16Cl4N4O2/c1-2-15(32)28-11-6-5-7-12(10-11)29-23(33)17-16(18(24)20(26)21(27)19(17)25)22-30-13-8-3-4-9-14(13)31-22/h3-10H,2H2,1H3,(H,28,32)(H,29,33)(H,30,31)"	CCC(=O)NC1=CC(=CC=C1)NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=CC=CC=C4N3	SOYQFJLSNPZCJD-UHFFFAOYSA-N
DG59478	"2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachlorobenzohydrazide"	402423	NSC716354; CHEMBL1998501; NSC-716354; NCI60_040243	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716354	.	.	.	.	390	C14H8Cl4N4O	83.8	457	4.2	23	3	3	2	"InChI=1S/C14H8Cl4N4O/c15-9-7(13-20-5-3-1-2-4-6(5)21-13)8(14(23)22-19)10(16)12(18)11(9)17/h1-4H,19H2,(H,20,21)(H,22,23)"	C1=CC=C2C(=C1)NC(=N2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)NN	MTURNYINKAJCQZ-UHFFFAOYSA-N
DG59479	"(2S)-2-[2,2-bis(4-chlorophenyl)ethyl]-2-(4-chlorophenyl)-1,3-thiazolidin-4-one"	402438	NSC716408; CHEMBL2004588; NSC-716408; NCI60_040251	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716408	.	.	.	.	462.8	C23H18Cl3NOS	54.4	532	7.1	29	1	2	5	"InChI=1S/C23H18Cl3NOS/c24-18-7-1-15(2-8-18)21(16-3-9-19(25)10-4-16)13-23(27-22(28)14-29-23)17-5-11-20(26)12-6-17/h1-12,21H,13-14H2,(H,27,28)/t23-/m0/s1"	C1C(=O)N[C@](S1)(CC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl	SQWHKDIMHIMGKT-QHCPKHFHSA-N
DG59480	"N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(furan-2-yl)methanimine"	402447	NSC716417; CHEMBL1971633; NSC-716417; NCI60_040255	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716417	.	.	.	.	304.4	C18H12N2OS	66.6	395	5	22	0	4	3	InChI=1S/C18H12N2OS/c1-2-6-17-16(5-1)20-18(22-17)13-7-9-14(10-8-13)19-12-15-4-3-11-21-15/h1-12H	C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N=CC4=CC=CO4	HWQBJUBROZSFFQ-UHFFFAOYSA-N
DG59481	"N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylmethanimine"	402448	NSC716418; CHEMBL1978216; NSC-716418; NCI60_040256	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716418	.	.	.	.	320.4	C18H12N2S2	81.7	393	5.6	22	0	4	3	InChI=1S/C18H12N2S2/c1-2-6-17-16(5-1)20-18(22-17)13-7-9-14(10-8-13)19-12-15-4-3-11-21-15/h1-12H	C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N=CC4=CC=CS4	LSVWSSMVUGMPMU-UHFFFAOYSA-N
DG59482	"N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[(1E)-(3,4-dimethoxyphenyl)methylene]amine"	402450	"NSC716420; CHEMBL1996250; ZINC1500833; MCULE-9845284575; NSC-716420; NCI60_040258; EU-0001091; N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[(1E)-(3,4-dimethoxyphenyl)methylene]amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716420	.	.	.	.	374.5	C22H18N2O2S	72	495	5.5	27	0	5	5	"InChI=1S/C22H18N2O2S/c1-25-19-12-7-15(13-20(19)26-2)14-23-17-10-8-16(9-11-17)22-24-18-5-3-4-6-21(18)27-22/h3-14H,1-2H3"	COC1=C(C=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)OC	ZOJVMIDFYLLISF-UHFFFAOYSA-N
DG59483	"4-[[4-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-N,N-dimethylaniline"	402451	NSC716421; CHEMBL1976603; NSC-716421; NCI60_040259	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716421	.	.	.	.	357.5	C22H19N3S	56.7	464	5.7	26	0	4	4	"InChI=1S/C22H19N3S/c1-25(2)19-13-7-16(8-14-19)15-23-18-11-9-17(10-12-18)22-24-20-5-3-4-6-21(20)26-22/h3-15H,1-2H3"	CN(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3	ZYTXKXKNGGKJNB-UHFFFAOYSA-N
DG59484	"2-[[4-(1,3-Benzothiazol-2-yl)phenyl]diazenyl]propanedinitrile"	402458	NSC716429; CHEMBL1985583; NSC-716429; NCI60_040261	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716429	.	.	.	.	303.3	C16H9N5S	113	491	4.3	22	0	6	3	"InChI=1S/C16H9N5S/c17-9-13(10-18)21-20-12-7-5-11(6-8-12)16-19-14-3-1-2-4-15(14)22-16/h1-8,13H"	C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N=NC(C#N)C#N	CUHBWQRUDZZJAX-UHFFFAOYSA-N
DG59485	"N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(furan-2-yl)methanimine"	402459	NSC716430; CHEMBL1978890; NSC-716430; NCI60_040262	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716430	.	.	.	.	288.3	C18H12N2O2	51.5	393	4.1	22	0	4	3	InChI=1S/C18H12N2O2/c1-2-6-17-16(5-1)20-18(22-17)13-7-9-14(10-8-13)19-12-15-4-3-11-21-15/h1-12H	C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)N=CC4=CC=CO4	OWLSUYDSTXAEEJ-UHFFFAOYSA-N
DG59486	N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine	402461	NSC716432; CHEMBL1977151; NSC-716432; NCI60_040264	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716432	.	.	.	.	286.3	C18H14N4	56.8	389	3.7	22	2	2	3	"InChI=1S/C18H14N4/c1-2-6-17-16(5-1)21-18(22-17)13-7-9-14(10-8-13)20-12-15-4-3-11-19-15/h1-12,19H,(H,21,22)"	C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=CC4=CC=CN4	DSHQQZZOLPORBA-UHFFFAOYSA-N
DG59487	"methyl 2,3,8-trimethyl-5,6-dioxo-9H-pyrrolo[2,3-f]quinoxaline-7-carboxylate"	402467	NSC716492; CHEMBL1977030; NSC-716492; NCI60_040268	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716492	.	.	.	.	299.28	C15H13N3O4	102	523	0.7	22	1	6	2	"InChI=1S/C15H13N3O4/c1-5-6(2)17-12-11(16-5)10-9(13(19)14(12)20)8(7(3)18-10)15(21)22-4/h18H,1-4H3"	CC1=C(C2=C(N1)C3=NC(=C(N=C3C(=O)C2=O)C)C)C(=O)OC	SAURFKLIWWQIJG-UHFFFAOYSA-N
DG59488	1-[[3-(Acryloylamino)propionyloxy]methyl]-5-fluorouracil	402478	NSC716503; CHEMBL1984906; NSC-716503; NCI60_040276; 1-[[3-(Acryloylamino)propionyloxy]methyl]-5-fluorouracil	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716503	.	.	.	.	285.23	C11H12FN3O5	105	489	-0.5	20	2	6	7	"InChI=1S/C11H12FN3O5/c1-2-8(16)13-4-3-9(17)20-6-15-5-7(12)10(18)14-11(15)19/h2,5H,1,3-4,6H2,(H,13,16)(H,14,18,19)"	C=CC(=O)NCCC(=O)OCN1C=C(C(=O)NC1=O)F	RSKCDMAFLRMJRQ-UHFFFAOYSA-N
DG59489	"2-[2-Methyl-5'-(methoxycarbonyl)spiro[acridine-9(10H),4'-thiazolidine]-2'-ylidene]malonic acid diethyl ester"	402484	"NSC716510; CHEMBL1980014; NSC-716510; NCI60_040278; 2-[2-Methyl-5'-(methoxycarbonyl)spiro[acridine-9(10H),4'-thiazolidine]-2'-ylidene]malonic acid diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716510	.	.	.	.	482.5	C25H26N2O6S	128	827	4.6	34	2	9	8	"InChI=1S/C25H26N2O6S/c1-5-32-22(28)19(23(29)33-6-2)21-27-25(20(34-21)24(30)31-4)15-9-7-8-10-17(15)26-18-12-11-14(3)13-16(18)25/h7-13,20,26-27H,5-6H2,1-4H3"	CCOC(=O)C(=C1NC2(C(S1)C(=O)OC)C3=CC=CC=C3NC4=C2C=C(C=C4)C)C(=O)OCC	GPPZZMJJQUQFNB-UHFFFAOYSA-N
DG59490	"2-(9,10-Dimethoxy-10-thiophen-2-ylanthracen-9-yl)thiophene"	402492	NSC716518; CHEMBL1975156; AKOS005224437; NSC-716518; NCI60_040282	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716518	.	.	.	.	404.5	C24H20O2S2	74.9	481	5.1	28	0	4	4	"InChI=1S/C24H20O2S2/c1-25-23(21-13-7-15-27-21)17-9-3-5-11-19(17)24(26-2,22-14-8-16-28-22)20-12-6-4-10-18(20)23/h3-16H,1-2H3"	COC1(C2=CC=CC=C2C(C3=CC=CC=C31)(C4=CC=CS4)OC)C5=CC=CS5	WKMBKZUTQOMRRY-UHFFFAOYSA-N
DG59491	"Trifluoromethanesulfinic acid 3,7-dimethyl-6-octenyl ester"	402494	"NSC716520; CHEMBL1990818; NSC-716520; NCI60_040283; Trifluoromethanesulfinic acid 3,7-dimethyl-6-octenyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716520	.	.	.	.	272.33	C11H19F3O2S	45.5	270	4.6	17	0	6	7	"InChI=1S/C11H19F3O2S/c1-9(2)5-4-6-10(3)7-8-16-17(15)11(12,13)14/h5,10H,4,6-8H2,1-3H3"	CC(CCC=C(C)C)CCOS(=O)C(F)(F)F	VRIDPOADNMGKTP-UHFFFAOYSA-N
DG59492	"(3aS)-2-methyl-1-quinolin-8-yloxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]diazaphosphole"	402496	NSC716522; CHEMBL2002832; NSC-716522; NCI60_040284	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716522	.	.	.	.	287.3	C15H18N3OP	28.6	356	2.9	20	0	4	2	"InChI=1S/C15H18N3OP/c1-17-11-13-7-4-10-18(13)20(17)19-14-8-2-5-12-6-3-9-16-15(12)14/h2-3,5-6,8-9,13H,4,7,10-11H2,1H3/t13-,20 /m0/s1"	CN1C[C@@H]2CCCN2P1OC3=CC=CC4=C3N=CC=C4	JMKSQDQGWKTMQH-SZQRVLIRSA-N
DG59493	2-Oxo-6-chloromethyl-2H-1-benzopyran-3-carboxylic acid pentyl ester	402498	NSC716524; CHEMBL85241; SCHEMBL7696966; NSC-716524; NCI60_040285; 2-Oxo-6-chloromethyl-2H-1-benzopyran-3-carboxylic acid pentyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716524	.	.	.	.	308.75	C16H17ClO4	52.6	419	4.2	21	0	4	7	"InChI=1S/C16H17ClO4/c1-2-3-4-7-20-15(18)13-9-12-8-11(10-17)5-6-14(12)21-16(13)19/h5-6,8-9H,2-4,7,10H2,1H3"	CCCCCOC(=O)C1=CC2=C(C=CC(=C2)CCl)OC1=O	LGUUTJBOXSFZSC-UHFFFAOYSA-N
DG59494	phenyl 6-(chloromethyl)-2-oxo-2H-chromene-3-carboxylate	402499	"CHEMBL13357; NSC716525; SCHEMBL14642286; BDBM23563; phenyl 6-(chloromethyl)-2-oxo-2H-chromene-3-carboxylate; 3-Carboxylate-coumarin deriv., 3; NSC-716525; NCI60_040286; 2-Oxo-6-chloromethyl-2H-1-benzopyran-3-carboxylic acid phenyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716525	.	.	.	.	314.7	C17H11ClO4	52.6	467	3.9	22	0	4	4	"InChI=1S/C17H11ClO4/c18-10-11-6-7-15-12(8-11)9-14(17(20)22-15)16(19)21-13-4-2-1-3-5-13/h1-9H,10H2"	C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2=O	VLAVQNSKKDLVGI-UHFFFAOYSA-N
DG59495	"2H-1-Benzopyran-3-carboxamide, 6-(chloromethyl)-2-oxo-N-pentyl-"	402500	"NSC716526; CHEMBL86426; NSC-716526; NCI60_040287; N-Pentyl-2-oxo-6-chloromethyl-2H-1-benzopyran-3-carboxamide; 2H-1-Benzopyran-3-carboxamide, 6-(chloromethyl)-2-oxo-N-pentyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716526	.	.	.	.	307.77	C16H18ClNO3	55.4	422	4.1	21	1	3	6	"InChI=1S/C16H18ClNO3/c1-2-3-4-7-18-15(19)13-9-12-8-11(10-17)5-6-14(12)21-16(13)20/h5-6,8-9H,2-4,7,10H2,1H3,(H,18,19)"	CCCCCNC(=O)C1=CC2=C(C=CC(=C2)CCl)OC1=O	ACSDNUUONNFHFX-UHFFFAOYSA-N
DG59496	6-(chloromethyl)-2-oxo-N-phenyl-2H-chromene-3-carboxamide	402501	"NSC716527; CHEMBL274376; BDBM23544; 3-Carboxamide-coumarin deriv., 4; NSC-716527; NCI60_040288; 6-(chloromethyl)-2-oxo-N-phenyl-2H-chromene-3-carboxamide; 6-Chloromethyl-N-phenyl-2-oxo-2H-1-benzopyran-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716527	.	.	.	.	313.7	C17H12ClNO3	55.4	471	3.3	22	1	3	3	"InChI=1S/C17H12ClNO3/c18-10-11-6-7-15-12(8-11)9-14(17(21)22-15)16(20)19-13-4-2-1-3-5-13/h1-9H,10H2,(H,19,20)"	C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2=O	RUYAFFMOCORBIV-UHFFFAOYSA-N
DG59497	6-(chloromethyl)-N-naphthalen-2-yl-2-oxochromene-3-carboxamide	402502	NSC716528; CHEMBL1980726; NSC-716528; NCI60_040289	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716528	.	.	.	.	363.8	C21H14ClNO3	55.4	590	4.6	26	1	3	3	"InChI=1S/C21H14ClNO3/c22-12-13-5-8-19-16(9-13)11-18(21(25)26-19)20(24)23-17-7-6-14-3-1-2-4-15(14)10-17/h1-11H,12H2,(H,23,24)"	C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=CC4=C(C=CC(=C4)CCl)OC3=O	LHCCVBZNXRRLDN-UHFFFAOYSA-N
DG59498	6-(Chloromethyl)-2-oxo-2H-1-benzopyran-3-carboxylic acid 3-pyridyl ester	402505	NSC716531; CHEMBL133474; SCHEMBL7679808; NSC-716531; NCI60_040291; 6-(Chloromethyl)-2-oxo-2H-1-benzopyran-3-carboxylic acid 3-pyridyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716531	.	.	.	.	315.71	C16H10ClNO4	65.5	479	2.8	22	0	5	4	"InChI=1S/C16H10ClNO4/c17-8-10-3-4-14-11(6-10)7-13(16(20)22-14)15(19)21-12-2-1-5-18-9-12/h1-7,9H,8H2"	C1=CC(=CN=C1)OC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2=O	VUCZSKPOHXLFKP-UHFFFAOYSA-N
DG59499	Quinolin-8-yl 6-(chloromethyl)-2-oxochromene-3-carboxylate	402508	NSC716535; CHEMBL382708; SCHEMBL7681232; NSC-716535; NCI60_040293	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716535	.	.	.	.	365.8	C20H12ClNO4	65.5	592	4.2	26	0	5	4	"InChI=1S/C20H12ClNO4/c21-11-12-6-7-16-14(9-12)10-15(19(23)25-16)20(24)26-17-5-1-3-13-4-2-8-22-18(13)17/h1-10H,11H2"	C1=CC2=C(C(=C1)OC(=O)C3=CC4=C(C=CC(=C4)CCl)OC3=O)N=CC=C2	YOIIHKSEJOPKPY-UHFFFAOYSA-N
DG59500	6-Acetoxymethyl-2-oxo-2H-1-benzopyran-3-carboxylic acid phenyl ester	402509	NSC716536; CHEMBL2007219; NSC-716536; NCI60_040294; 6-Acetoxymethyl-2-oxo-2H-1-benzopyran-3-carboxylic acid phenyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716536	.	.	.	.	338.3	C19H14O6	78.9	560	3.2	25	0	6	6	"InChI=1S/C19H14O6/c1-12(20)23-11-13-7-8-17-14(9-13)10-16(19(22)25-17)18(21)24-15-5-3-2-4-6-15/h2-10H,11H2,1H3"	CC(=O)OCC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=CC=CC=C3	WTTXBVUJHOKMQZ-UHFFFAOYSA-N
DG59501	6-Chloromethyl-2-oxo-2H-1-benzopyran-3-carboxylic acid 1-methyl-3-piperidinyl ester	402510	NSC716537; SCHEMBL7679207; CHEMBL1966812; NSC-716537; NCI60_040295; 6-Chloromethyl-2-oxo-2H-1-benzopyran-3-carboxylic acid 1-methyl-3-piperidinyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716537	.	.	.	.	335.8	C17H18ClNO4	55.8	507	3	23	0	5	4	"InChI=1S/C17H18ClNO4/c1-19-6-2-3-13(10-19)22-16(20)14-8-12-7-11(9-18)4-5-15(12)23-17(14)21/h4-5,7-8,13H,2-3,6,9-10H2,1H3"	CN1CCCC(C1)OC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2=O	IEBIFFJTOVLWNM-UHFFFAOYSA-N
DG59502	6-(Propionyloxymethyl)-2-oxo-2H-1-benzopyran-3-carboxylic acid 5-chloro-3-pyridyl ester	402512	NSC716539; CHEMBL135793; SCHEMBL7678638; NSC-716539; NCI60_040297; 6-(Propionyloxymethyl)-2-oxo-2H-1-benzopyran-3-carboxylic acid 5-chloro-3-pyridyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716539	.	.	.	.	387.8	C19H14ClNO6	91.8	621	3.2	27	0	7	7	"InChI=1S/C19H14ClNO6/c1-2-17(22)25-10-11-3-4-16-12(5-11)6-15(19(24)27-16)18(23)26-14-7-13(20)8-21-9-14/h3-9H,2,10H2,1H3"	CCC(=O)OCC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=CC(=CN=C3)Cl	SMIXYAWTUGVYBN-UHFFFAOYSA-N
DG59503	"(1'R,2'R,8'S,10'R)-10'-phenylsulfanylspiro[1,3-dioxolane-2,9'-7-oxa-6-azatricyclo[6.4.0.02,6]dodecane]-12'-one"	402518	NSC716544; CHEMBL1977993; NSC-716544; NCI60_040301	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716544	.	.	.	.	347.4	C18H21NO4S	73.3	503	1.9	24	0	6	2	"InChI=1S/C18H21NO4S/c20-14-11-15(24-12-5-2-1-3-6-12)18(21-9-10-22-18)17-16(14)13-7-4-8-19(13)23-17/h1-3,5-6,13,15-17H,4,7-11H2/t13-,15-,16+,17+/m1/s1"	C1C[C@@H]2[C@@H]3[C@@H](C4([C@@H](CC3=O)SC5=CC=CC=C5)OCCO4)ON2C1	SDRYWBREBZUFOO-SIXLDLHFSA-N
DG59504	Rogiolol	402519	"Rogiolol; NSC716545; CHEMBL1965573; NSC-716545; NCI60_040302; Spiro[5.5]undecan-3-ol,8-dibromo-9-chloro-1,1,9-trimethyl-5-methylene-, (2R,3S,6R,8R,9R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716545	.	.	.	.	414.6	C15H23Br2ClO	20.2	398	4.7	19	1	1	0	"InChI=1S/C15H23Br2ClO/c1-9-7-10(19)12(17)13(2,3)15(9)6-5-14(4,18)11(16)8-15/h10-12,19H,1,5-8H2,2-4H3/t10-,11 ,12-,14 ,15 /m0/s1"	CC1([C@H]([C@H](CC(=C)C12CCC(C(C2)Br)(C)Cl)O)Br)C	KKDUTGUFMQDATD-BZDLPWPVSA-N
DG59505	"Ethyl 2-amino-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate"	402542	"ethyl 2-amino-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; 6163-89-9; ethyl 2-amino-5-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate; 70733-08-3; NSC716566; Oprea1_030185; Oprea1_797713; SCHEMBL3913632; CHEMBL1982091; DTXSID60977229; MFCD01049085; STL023578; AKOS000271314; AKOS016039314; ETHYL 2-AMINO-5-METHYL-4,5,6,7-TETRAHYDROBENZOTHIOPHENE-3-CARBOXYLATE; MCULE-4050216274; NSC-716566; NCI60_040309; DB-087777; AB00103117-01; 2-amino-3-ethoxycarbonyl-(5-methyl)-4,5,6,7-tetrahydrobenzo[b]thiophene; 2-Amino-5-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester; 2-Amino-5-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716566	.	.	.	.	239.34	C12H17NO2S	80.6	272	3.5	16	1	4	3	"InChI=1S/C12H17NO2S/c1-3-15-12(14)10-8-6-7(2)4-5-9(8)16-11(10)13/h7H,3-6,13H2,1-2H3"	CCOC(=O)C1=C(SC2=C1CC(CC2)C)N	USOZAPSHCJNFRA-UHFFFAOYSA-N
DG59506	"ethyl N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamate"	402543	NSC716567; CHEMBL1989695; NSC-716567; NCI60_040310	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716567	.	.	.	.	264.35	C13H16N2O2S	90.4	365	3.6	18	1	4	3	"InChI=1S/C13H16N2O2S/c1-3-17-13(16)15-12-10(7-14)9-6-8(2)4-5-11(9)18-12/h8H,3-6H2,1-2H3,(H,15,16)"	CCOC(=O)NC1=C(C2=C(S1)CCC(C2)C)C#N	SKEPCWKFHZFMHJ-UHFFFAOYSA-N
DG59507	"3-Aminobenzoic acid, N-[3-carbethoxyphenylazo]-, ethyl(ester)"	402560	"NSC716678; CHEMBL1966787; SCHEMBL22062005; NSC-716678; NCI60_040316; 3-Aminobenzoic acid, N-[3-carbethoxyphenylazo]-, ethyl(ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716678	.	.	.	.	341.4	C18H19N3O4	89.4	469	4.5	25	1	7	9	"InChI=1S/C18H19N3O4/c1-3-24-17(22)13-7-5-9-15(11-13)19-21-20-16-10-6-8-14(12-16)18(23)25-4-2/h5-12H,3-4H2,1-2H3,(H,19,20)"	CCOC(=O)C1=CC(=CC=C1)NN=NC2=CC=CC(=C2)C(=O)OCC	SRQNSZYLZQIYMJ-UHFFFAOYSA-N
DG59508	2-amino-3-(2-iodo-1H-imidazol-5-yl)propanoic acid;hydrochloride	402578	NSC716706; CHEMBL2007614; NSC-716706	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716706	.	.	.	.	317.51	C6H9ClIN3O2	92	178	.	13	4	4	3	"InChI=1S/C6H8IN3O2.ClH/c7-6-9-2-3(10-6)1-4(8)5(11)12;/h2,4H,1,8H2,(H,9,10)(H,11,12);1H"	C1=C(NC(=N1)I)CC(C(=O)O)N.Cl	VKACKWXQDNNZNK-UHFFFAOYSA-N
DG59509	NSC716721	402591	"(1'beta)-4'alpha,7',7'-Trimethyl-3,4-[1,3]butadienodispiro[3-cyclopentene-1,2'-bicyclo[2.2.1]heptane-3',3''-dithiirane]1''-oxide; CHEMBL1996241; NSC716721; NSC-716721; (1'beta)-4'alpha,7',7'-Trimethyl-3,4-[1,3]butadienodispiro[3-cyclopentene-1,2'-bicyclo[2.2.1]heptane-3',3''-dithiirane]1''-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716721	.	.	.	.	318.5	C18H22OS2	61.6	527	4.2	21	0	3	0	"InChI=1S/C18H22OS2/c1-15(2)14-8-9-16(15,3)18(20-21(18)19)17(14)10-12-6-4-5-7-13(12)11-17/h4-7,14H,8-11H2,1-3H3/t14-,16+,18 ,21 /m0/s1"	C[C@@]12CC[C@@H](C1(C)C)C3(C24SS4=O)CC5=CC=CC=C5C3	RPORBFLCXATWJC-RDPTYPHRSA-N
DG59510	"(1S,15S)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-15,18-diol"	402595	11-Hydroxyvittatine; C12194; AC1L9F0T; CHEMBL1993537; NSC716725; NSC-716725; NCI60_040331	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716725	.	.	.	.	287.31	C16H17NO4	62.2	483	0.7	21	2	5	0	"InChI=1S/C16H17NO4/c18-10-1-2-16-11-5-13-12(20-8-21-13)3-9(11)6-17(7-15(16)19)14(16)4-10/h1-3,5,10,14-15,18-19H,4,6-8H2/t10-,14 ,15 ,16+/m1/s1"	C1[C@@H](C=C[C@]23C1N(CC2O)CC4=CC5=C(C=C34)OCO5)O	KWAOMPWGIIXDPH-PMQCVPOWSA-N
DG59511	"(1S,15S)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol"	402596	CHEMBL2006644; NSC716726; NSC-716726; NCI60_040332	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716726	.	.	.	.	317.34	C17H19NO5	71.4	527	0.7	23	2	6	1	"InChI=1S/C17H19NO5/c1-21-9-2-3-17-11-6-13-12(22-8-23-13)5-10(11)16(20)18(7-15(17)19)14(17)4-9/h2-3,5-6,9,14-16,19-20H,4,7-8H2,1H3/t9-,14 ,15 ,16 ,17+/m1/s1"	CO[C@H]1CC2[C@@]3(C=C1)C(CN2C(C4=CC5=C(C=C34)OCO5)O)O	ZSTPNQLNQBRLQF-OWMZEILZSA-N
DG59512	"(13S,15S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraene-15,16-diol"	402598	CHEMBL2002715; NSC716728; NSC-716728; NCI60_040333	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716728	.	.	.	.	287.31	C16H17NO4	62.2	481	0	21	2	5	0	"InChI=1S/C16H17NO4/c18-13-2-10-11-6-17(12(10)4-14(13)19)5-8-1-15-16(3-9(8)11)21-7-20-15/h1-3,11-14,18-19H,4-7H2/t11 ,12-,13 ,14-/m0/s1"	C1[C@@H](C(C=C2[C@H]1N3CC2C4=CC5=C(C=C4C3)OCO5)O)O	JKZMYBLUKAMPKM-YIOUJQMASA-N
DG59513	NSC716729	402599	"[(8S,9S,10S,13S,14S,17S)-10-hydroxy-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate; NSC716729; CHEMBL2005869; NSC-716729; NCI60_040334"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716729	.	.	.	.	344.4	C21H28O4	63.6	663	2.8	25	1	4	3	"InChI=1S/C21H28O4/c1-3-19(23)25-18-7-6-16-15-5-4-13-12-14(22)8-11-21(13,24)17(15)9-10-20(16,18)2/h8,11-12,15-18,24H,3-7,9-10H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1"	CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34O)C	TVMVKFSJVWIRBX-JPRZGNOKSA-N
DG59514	"10-Hydroxy-4-bromo-5beta-estra-1,4-diene-3,17-dione"	402600	"NSC716730; CHEMBL1964662; NSC-716730; NCI60_040335; 10-Hydroxy-4-bromo-5beta-estra-1,4-diene-3,17-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716730	.	.	.	.	365.3	C18H21BrO3	54.4	634	2.3	22	1	3	0	"InChI=1S/C18H21BrO3/c1-17-8-6-12-10(11(17)4-5-15(17)21)2-3-13-16(19)14(20)7-9-18(12,13)22/h7,9-12,22H,2-6,8H2,1H3/t10-,11-,12-,17-,18-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C(C(=O)C=C[C@]34O)Br	TXYSTZDCUPYITK-YMKFXDTLSA-N
DG59515	"10-[(4-Methoxyphenyl)diazenyl]-2,2-dimethyl-3,4-dihydrobenzo[g]chromen-5-ol"	402602	NSC716758; CHEMBL1971079; NSC-716758; NCI60_040337	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716758	.	.	.	.	362.4	C22H22N2O3	63.4	530	5.5	27	1	5	3	"InChI=1S/C22H22N2O3/c1-22(2)13-12-18-20(25)17-7-5-4-6-16(17)19(21(18)27-22)24-23-14-8-10-15(26-3)11-9-14/h4-11,25H,12-13H2,1-3H3"	CC1(CCC2=C(C3=CC=CC=C3C(=C2O1)N=NC4=CC=C(C=C4)OC)O)C	DQAHHMGXMKTXPJ-UHFFFAOYSA-N
DG59516	"2,2-Dimethyl-10-[(4-methylphenyl)diazenyl]-3,4-dihydrobenzo[g]chromen-5-ol"	402607	NSC716763; CHEMBL1997213; NSC-716763; NCI60_040339	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716763	.	.	.	.	346.4	C22H22N2O2	54.2	512	5.9	26	1	4	2	"InChI=1S/C22H22N2O2/c1-14-8-10-15(11-9-14)23-24-19-16-6-4-5-7-17(16)20(25)18-12-13-22(2,3)26-21(18)19/h4-11,25H,12-13H2,1-3H3"	CC1=CC=C(C=C1)N=NC2=C3C(=C(C4=CC=CC=C42)O)CCC(O3)(C)C	MPGRAOPZJVAKRQ-UHFFFAOYSA-N
DG59517	"4-Methyl-6,9-dichlorocyclopenta[c][1]benzopyran-8-ol"	402619	"NSC716775; CHEMBL1985253; NSC-716775; NCI60_040351; 4-Methyl-6,9-dichlorocyclopenta[c][1]benzopyran-8-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716775	.	.	.	.	267.1	C13H8Cl2O2	33.4	299	4.6	17	1	2	0	"InChI=1S/C13H8Cl2O2/c1-6-7-3-2-4-8(7)11-12(15)10(16)5-9(14)13(11)17-6/h2-5,16H,1H3"	CC1=C2C=CC=C2C3=C(C(=CC(=C3O1)Cl)O)Cl	GBQIEMCNGDHWFR-UHFFFAOYSA-N
DG59518	5-[4-(Dimethylamino)phenyl]-6-methyl-5H-benzo[h]cyclopenta[c]quinoline-11-ol	402620	NSC716776; CHEMBL1995941; NSC-716776; NCI60_040352; 5-[4-(Dimethylamino)phenyl]-6-methyl-5H-benzo[h]cyclopenta[c]quinoline-11-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716776	.	.	.	.	366.5	C25H22N2O	28.4	543	6.1	28	1	2	2	"InChI=1S/C25H22N2O/c1-16-19-9-6-10-20(19)23-15-24(28)21-7-4-5-8-22(21)25(23)27(16)18-13-11-17(12-14-18)26(2)3/h4-15,28H,1-3H3"	CC1=C2C=CC=C2C3=C(N1C4=CC=C(C=C4)N(C)C)C5=CC=CC=C5C(=C3)O	QRKFFGVOXUVELV-UHFFFAOYSA-N
DG59519	(1-Benzyl-1H-indol-3-yl)-methanol	402633	"(1-Benzyl-1H-indol-3-yl)-methanol; (1-benzyl-1h-indol-3-yl)methanol; 60941-76-6; 1-Benzyl-I3C; 1H-Indole-3-methanol, 1-(phenylmethyl)-; (1-benzylindol-3-yl)methanol; NSC716807; Maybridge1_006370; N-benzylindole-3-methanol; N-Benzyl-indole-3-carbinol; Oprea1_329464; SCHEMBL7113697; 1-Benzyl-1H-indole-3-methanol; CHEMBL1775131; HMS559J12; ALBB-020417; ZINC1660895; 6609AE; MFCD01312953; AKOS000343499; NSC-716807; NCI60_040365"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716807	.	.	.	.	237.3	C16H15NO	25.2	262	2.7	18	1	1	3	"InChI=1S/C16H15NO/c18-12-14-11-17(10-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,11,18H,10,12H2"	C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CO	DXCRDLUQTDLMKZ-UHFFFAOYSA-N
DG59520	"(5R,8S)-1,3-Diphenyl-5alpha-chloro-8-(4-nitrophenylthio)-4,5,6,7-tetrahydro-4alpha,7alpha-methano-2H-isoindole"	402639	"NSC716814; CHEMBL1996856; NSC-716814; NCI60_040367; (5R,8S)-1,3-Diphenyl-5alpha-chloro-8-(4-nitrophenylthio)-4,5,6,7-tetrahydro-4alpha,7alpha-methano-2H-isoindole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716814	.	.	.	.	473	C27H21ClN2O2S	86.9	699	6.8	33	1	3	4	"InChI=1S/C27H21ClN2O2S/c28-21-15-20-22-24(23(21)27(20)33-19-13-11-18(12-14-19)30(31)32)26(17-9-5-2-6-10-17)29-25(22)16-7-3-1-4-8-16/h1-14,20-21,23,27,29H,15H2/t20-,21+,23+,27-/m0/s1"	C1[C@@H]2[C@@H]([C@H]([C@@H]1Cl)C3=C(NC(=C23)C4=CC=CC=C4)C5=CC=CC=C5)SC6=CC=C(C=C6)[N+](=O)[O-]	SNMIAKMXWHCOED-YBMQWUKTSA-N
DG59521	"2,2'-[2,2,2-Trichloroethylidenebis(2,4,6-trichloro-3,1-phenyleneoxy)]bisacetic acid"	402642	"NSC716817; CHEMBL1985280; NSC-716817; NCI60_040369; 2,2'-[2,2,2-Trichloroethylidenebis(2,4,6-trichloro-3,1-phenyleneoxy)]bisacetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716817	.	.	.	.	640.3	C18H9Cl9O6	93.1	645	8.4	33	2	6	8	"InChI=1S/C18H9Cl9O6/c19-5-1-7(21)16(32-3-9(28)29)14(23)11(5)13(18(25,26)27)12-6(20)2-8(22)17(15(12)24)33-4-10(30)31/h1-2,13H,3-4H2,(H,28,29)(H,30,31)"	C1=C(C(=C(C(=C1Cl)OCC(=O)O)Cl)C(C2=C(C(=C(C=C2Cl)Cl)OCC(=O)O)Cl)C(Cl)(Cl)Cl)Cl	HRGNUJICNHWJBA-UHFFFAOYSA-N
DG59522	"2-(4-Methoxyphenylamino)-6,7-dimethyl-8H-[1,3,4]thiadiazolo[3,2-a]thieno[2,3-d]pyrimidine-8-one"	402648	"NSC716823; CHEMBL1992140; ZINC01660905; NSC-716823; NCI60_040370; 2-(4-Methoxyphenylamino)-6,7-dimethyl-8H-[1,3,4]thiadiazolo[3,2-a]thieno[2,3-d]pyrimidine-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716823	.	.	.	.	358.4	C16H14N4O2S2	120	589	3.8	24	1	6	3	"InChI=1S/C16H14N4O2S2/c1-8-9(2)23-13-12(8)14(21)20-16(18-13)24-15(19-20)17-10-4-6-11(22-3)7-5-10/h4-7H,1-3H3,(H,17,19)"	CC1=C(SC2=C1C(=O)N3C(=N2)SC(=N3)NC4=CC=C(C=C4)OC)C	APZSQZKGJVLXIA-UHFFFAOYSA-N
DG59523	"13-(3-Methylanilino)-8,12-dithia-10,14,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one"	402650	NSC716825; CHEMBL1976594; NSC-716825; NCI60_040371	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716825	.	.	.	.	368.5	C18H16N4OS2	111	637	4.6	25	1	5	2	"InChI=1S/C18H16N4OS2/c1-10-5-4-6-11(9-10)19-17-21-22-16(23)14-12-7-2-3-8-13(12)24-15(14)20-18(22)25-17/h4-6,9H,2-3,7-8H2,1H3,(H,19,21)"	CC1=CC(=CC=C1)NC2=NN3C(=O)C4=C(N=C3S2)SC5=C4CCCC5	YWMPLXDOLCQMBX-UHFFFAOYSA-N
DG59524	"4(3H)-Quinazolinone, 3-(3-methylphenyl)-2-(methylthio)-"	402655	"361179-11-5; NSC716830; CBMicro_015774; Cambridge id 6102862; Oprea1_498236; SCHEMBL5030398; CHEMBL1965038; 4(3H)-Quinazolinone, 3-(3-methylphenyl)-2-(methylthio)-; DTXSID90328028; ZINC102288; STK831228; AKOS003604779; MCULE-9607578708; NSC-716830; NCI60_040372; BIM-0015809.P001; 2-(Methylthio)-3-(m-tolyl)quinazolin-4(3H)-one; SR-01000453575; SR-01000453575-1; 3-(3-methylphenyl)-2-(methylthio)quinazolin-4(3H)-one; 3-(3-methylphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716830	.	.	.	.	282.4	C16H14N2OS	58	409	3.4	20	0	3	2	"InChI=1S/C16H14N2OS/c1-11-6-5-7-12(10-11)18-15(19)13-8-3-4-9-14(13)17-16(18)20-2/h3-10H,1-2H3"	CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SC	SQELFMOZMHVIGU-UHFFFAOYSA-N
DG59525	"6,7-Dihydro-5h-benzo[3,4]cyclohepta[1,2-b]quinolin-13-amine"	402658	"CHEMBL118139; NSC716845; ZINC22439; 6,7-dihydro-5h-benzo[3,4]cyclohepta[1,2-b]quinolin-13-amine; BDBM50060475; NSC-716845; NCI60_040373; 6,7-Dihydro-5H-8-aza-benzo[3,4]cyclohepta[1,2-b]naphthalen-13-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716845	.	.	.	.	260.3	C18H16N2	38.9	342	3.8	20	1	2	0	"InChI=1S/C18H16N2/c19-18-14-9-3-4-10-15(14)20-16-11-5-7-12-6-1-2-8-13(12)17(16)18/h1-4,6,8-10H,5,7,11H2,(H2,19,20)"	C1CC2=CC=CC=C2C3=C(C4=CC=CC=C4N=C3C1)N	KNVYGKRLWWWPMH-UHFFFAOYSA-N
DG59526	"6,7-difluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine"	402659	NSC716846; CHEMBL2002913; AKOS011484959; NSC-716846; NCI60_040374	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716846	.	.	.	.	220.22	C12H10F2N2	38.9	274	2.4	16	1	4	0	"InChI=1S/C12H10F2N2/c13-8-4-7-11(5-9(8)14)16-10-3-1-2-6(10)12(7)15/h4-5H,1-3H2,(H2,15,16)"	C1CC2=C(C3=CC(=C(C=C3N=C2C1)F)F)N	XPUQPBGSKNECLY-UHFFFAOYSA-N
DG59527	"5,6-Dihydrobenzo[c]acridin-7-amine"	402660	"CHEMBL89012; 5,6-dihydrobenzo[c]acridin-7-amine; NSC716847; SCHEMBL6492556; ZINC3275; 5,6-Dihydrobenz[c]acridin-7-amine; BDBM50060481; NSC-716847; 5,6-Dihydro-benzo[c]acridin-7-ylamine; NCI60_040375"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716847	.	.	.	.	246.31	C17H14N2	38.9	329	3.5	19	1	2	0	"InChI=1S/C17H14N2/c18-16-13-7-3-4-8-15(13)19-17-12-6-2-1-5-11(12)9-10-14(16)17/h1-8H,9-10H2,(H2,18,19)"	C1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C41)N	FRXXZKCFLLWYIW-UHFFFAOYSA-N
DG59528	"N-benzyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine"	402667	"NSC716853; Oprea1_041907; Oprea1_429074; SCHEMBL8022948; CHEMBL1620683; N-benzyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine; ZINC122788; STL332113; AKOS002264980; MCULE-2940485464; NSC-716853; NCI60_040382; EU-0005476"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716853	.	.	.	.	274.4	C19H18N2	24.9	337	4.4	21	1	2	3	"InChI=1S/C19H18N2/c1-2-7-14(8-3-1)13-20-19-15-9-4-5-11-17(15)21-18-12-6-10-16(18)19/h1-5,7-9,11H,6,10,12-13H2,(H,20,21)"	C1CC2=C(C3=CC=CC=C3N=C2C1)NCC4=CC=CC=C4	FSXVHPCDUBUHDH-UHFFFAOYSA-N
DG59529	"5H-Benzocyclohepten-5-one,6,6,9-tetrabromo-6,7,8,9-tetrahydro-1,2-dimethoxy-"	402671	"NSC716857; CHEMBL1977721; NSC-716857; NCI60_040383; 5H-Benzocyclohepten-5-one,6,6,9-tetrabromo-6,7,8,9-tetrahydro-1,2-dimethoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716857	.	.	.	.	535.8	C13H12Br4O3	35.5	377	4.9	20	0	3	2	"InChI=1S/C13H12Br4O3/c1-19-10-8(15)5-6-9(11(10)20-2)7(14)3-4-13(16,17)12(6)18/h5,7H,3-4H2,1-2H3"	COC1=C(C=C2C(=C1OC)C(CCC(C2=O)(Br)Br)Br)Br	VBTGTZGFJOETGJ-UHFFFAOYSA-N
DG59530	"4-Propyl-7,8-dichloro-1,2,5,6-tetrahydrobenzo[f]quinolin-3(4H)-one"	402674	"NSC716860; CHEMBL1994600; ZINC1660923; NSC-716860; NCI60_040385; 4-Propyl-7,8-dichloro-1,2,5,6-tetrahydrobenzo[f]quinolin-3(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716860	.	.	.	.	310.2	C16H17Cl2NO	20.3	434	3.8	20	0	1	2	"InChI=1S/C16H17Cl2NO/c1-2-9-19-14-7-4-12-10(3-6-13(17)16(12)18)11(14)5-8-15(19)20/h3,6H,2,4-5,7-9H2,1H3"	CCCN1C2=C(CCC1=O)C3=C(CC2)C(=C(C=C3)Cl)Cl	CHOIHZUDNBGIBC-UHFFFAOYSA-N
DG59531	11-(2-Chloroprop-2-enyl)benzo[b][1]benzazepine	402688	NSC716874; CHEMBL2002433; ZINC1010548; MCULE-7022144282; NSC-716874; NCI60_040392	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716874	.	.	.	.	267.8	C17H14ClN	3.2	336	5.2	19	0	1	2	"InChI=1S/C17H14ClN/c1-13(18)12-19-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)19/h2-11H,1,12H2"	C=C(CN1C2=CC=CC=C2C=CC3=CC=CC=C31)Cl	GVINZBGXIHBHST-UHFFFAOYSA-N
DG59532	NSC716893	402705	"3-[[2-Tert-butyl-5-chloro-4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole; CHEMBL1970663; NSC716893; BDBM50269305; NSC-716893; NCI60_040403"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716893	.	.	.	.	698	C30H23Cl3N8O2S2	161	991	8.5	45	0	10	9	"InChI=1S/C30H23Cl3N8O2S2/c1-30(2,3)20-12-23(43-15-25-35-37-29-41(25)39-27(45-29)17-6-10-19(32)11-7-17)21(33)13-22(20)42-14-24-34-36-28-40(24)38-26(44-28)16-4-8-18(31)9-5-16/h4-13H,14-15H2,1-3H3"	CC(C)(C)C1=CC(=C(C=C1OCC2=NN=C3N2N=C(S3)C4=CC=C(C=C4)Cl)Cl)OCC5=NN=C6N5N=C(S6)C7=CC=C(C=C7)Cl	KHDWKMJGYNIYPT-UHFFFAOYSA-N
DG59533	NSC716894	402706	"6-Benzyl-3-[[4-[(6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole; NSC716894; CHEMBL2002633; NSC-716894; NCI60_040404"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716894	.	.	.	.	657.2	C32H29ClN8O2S2	161	957	7.8	45	0	10	11	"InChI=1S/C32H29ClN8O2S2/c1-32(2,3)22-16-25(43-19-27-35-37-31-41(27)39-29(45-31)15-21-12-8-5-9-13-21)23(33)17-24(22)42-18-26-34-36-30-40(26)38-28(44-30)14-20-10-6-4-7-11-20/h4-13,16-17H,14-15,18-19H2,1-3H3"	CC(C)(C)C1=CC(=C(C=C1OCC2=NN=C3N2N=C(S3)CC4=CC=CC=C4)Cl)OCC5=NN=C6N5N=C(S6)CC7=CC=CC=C7	LKPCBXHUCMQJSB-UHFFFAOYSA-N
DG59534	NSC716906	402718	"6-[[2-Chloro-4-[(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]phenoxy]methyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole; NSC716906; CHEMBL1981222; NSC-716906; NCI60_040411"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716906	.	.	.	.	505	C20H21ClN8O2S2	161	645	4.6	33	0	10	10	"InChI=1S/C20H21ClN8O2S2/c1-3-5-15-22-24-19-28(15)26-17(32-19)10-30-12-7-8-14(13(21)9-12)31-11-18-27-29-16(6-4-2)23-25-20(29)33-18/h7-9H,3-6,10-11H2,1-2H3"	CCCC1=NN=C2N1N=C(S2)COC3=CC(=C(C=C3)OCC4=NN5C(=NN=C5S4)CCC)Cl	VAGCDPOVHUZQAA-UHFFFAOYSA-N
DG59535	NSC716907	402719	"3-Benzyl-6-[[4-[(3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]-2,5-dichlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole; NSC716907; CHEMBL1975621; NSC-716907; NCI60_040412"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716907	.	.	.	.	635.5	C28H20Cl2N8O2S2	161	810	6.8	42	0	10	10	"InChI=1S/C28H20Cl2N8O2S2/c29-19-14-22(40-16-26-36-38-24(32-34-28(38)42-26)12-18-9-5-2-6-10-18)20(30)13-21(19)39-15-25-35-37-23(31-33-27(37)41-25)11-17-7-3-1-4-8-17/h1-10,13-14H,11-12,15-16H2"	C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)COC4=CC(=C(C=C4Cl)OCC5=NN6C(=NN=C6S5)CC7=CC=CC=C7)Cl	LOUWOQGVWZRRSF-UHFFFAOYSA-N
DG59536	NSC716908	402720	"6-[[2,5-Dichloro-4-[(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]phenoxy]methyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole; NSC716908; CHEMBL1977769; NSC-716908; NCI60_040413"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716908	.	.	.	.	539.5	C20H20Cl2N8O2S2	161	624	5.2	34	0	10	10	"InChI=1S/C20H20Cl2N8O2S2/c1-3-5-15-23-25-19-29(15)27-17(33-19)9-31-13-7-12(22)14(8-11(13)21)32-10-18-28-30-16(6-4-2)24-26-20(30)34-18/h7-8H,3-6,9-10H2,1-2H3"	CCCC1=NN=C2N1N=C(S2)COC3=CC(=C(C=C3Cl)OCC4=NN5C(=NN=C5S4)CCC)Cl	SVBLFUFJRGIZGM-UHFFFAOYSA-N
DG59537	NSC716909	402721	"3-Benzyl-6-[[4-[(3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole; NSC716909; CHEMBL1993483; NSC-716909; NCI60_040414"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716909	.	.	.	.	657.2	C32H29ClN8O2S2	161	957	7.8	45	0	10	11	"InChI=1S/C32H29ClN8O2S2/c1-32(2,3)22-16-25(43-19-29-39-41-27(35-37-31(41)45-29)15-21-12-8-5-9-13-21)23(33)17-24(22)42-18-28-38-40-26(34-36-30(40)44-28)14-20-10-6-4-7-11-20/h4-13,16-17H,14-15,18-19H2,1-3H3"	CC(C)(C)C1=CC(=C(C=C1OCC2=NN3C(=NN=C3S2)CC4=CC=CC=C4)Cl)OCC5=NN6C(=NN=C6S5)CC7=CC=CC=C7	MFUJKXNXTPFGKO-UHFFFAOYSA-N
DG59538	Unk-DL-Ser-DL-Pro-DL-Phe-DL-Leu-OMe	402726	NSC716914; CHEMBL1965500; NSC-716914; NCI60_040418	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716914	.	.	.	.	715.6	C35H40Cl2N4O8	167	1150	5.2	49	4	8	15	"InChI=1S/C35H40Cl2N4O8/c1-20(2)16-26(35(47)48-3)39-31(43)25(17-21-8-5-4-6-9-21)38-32(44)28-10-7-15-41(28)34(46)27(19-42)40-33(45)30-14-13-29(49-30)23-12-11-22(36)18-24(23)37/h4-6,8-9,11-14,18,20,25-28,42H,7,10,15-17,19H2,1-3H3,(H,38,44)(H,39,43)(H,40,45)"	CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(CO)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl	BJBAWJLQHXAGEL-UHFFFAOYSA-N
DG59539	Unk-DL-Pro-DL-Phe-Gly-DL-xiIle-OMe	402727	NSC716915; CHEMBL1971202; NSC-716915; NCI60_040419	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716915	.	.	.	.	685.6	C34H38Cl2N4O7	147	1110	5.9	47	3	7	14	"InChI=1S/C34H38Cl2N4O7/c1-4-20(2)30(34(45)46-3)39-29(41)19-37-31(42)25(17-21-9-6-5-7-10-21)38-32(43)26-11-8-16-40(26)33(44)28-15-14-27(47-28)23-13-12-22(35)18-24(23)36/h5-7,9-10,12-15,18,20,25-26,30H,4,8,11,16-17,19H2,1-3H3,(H,37,42)(H,38,43)(H,39,41)"	CCC(C)C(C(=O)OC)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl	IDAVWTCVEQTDRN-UHFFFAOYSA-N
DG59540	"4-chloro-N-[4-[4-[2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-1,3-thiazol-2-yl]-3-methoxybenzenesulfonamide"	402743	NSC716937; NSC-716937	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716937	.	.	.	.	588.1	C26H22ClN3O5S3	171	932	5.6	38	2	9	7	"InChI=1S/C26H22ClN3O5S3/c1-15-24(32)30(25(37-15)19-5-3-4-6-22(19)31)17-9-7-16(8-10-17)21-14-36-26(28-21)29-38(33,34)18-11-12-20(27)23(13-18)35-2/h3-15,25,31H,1-2H3,(H,28,29)"	CC1C(=O)N(C(S1)C2=CC=CC=C2O)C3=CC=C(C=C3)C4=CSC(=N4)NS(=O)(=O)C5=CC(=C(C=C5)Cl)OC	GGLJBOVSAPXPSU-UHFFFAOYSA-N
DG59541	"4H-1,2,6,7,8-Pentathia-4-aza-s-indacene-3,5-dione"	402774	"NSC716981; CHEMBL1965341; NSC-716981; NCI60_040440; 4H-1,2,6,7,8-Pentathia-4-aza-s-indacene-3,5-dione; 3H,4H,5H-Dithiolo[3,4-b:4,3-E]1,4-thiazine-3,5-dione; 3H,4H,5H-Di[1,2]dithiolo[3,4-b:4,3-E][1,4]thiazine-3,5-dione #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716981	.	.	.	.	279.4	C6HNO2S5	173	388	1.7	14	1	8	0	InChI=1S/C6HNO2S5/c8-3-1-5(13-11-3)10-6-2(7-1)4(9)12-14-6/h7H	C12=C(SC3=C(N1)C(=O)SS3)SSC2=O	LZUIJUKMDLVNIT-UHFFFAOYSA-N
DG59542	"7-Benzyl-6,7-dihydro-2,3,4,5-tetrathia-7-aza-1H-cyclopenta[a]pentalene-1,6-dithione"	402775	"NSC716982; CHEMBL1998927; NSC-716982; NCI60_040441; 7-Benzyl-6,7-dihydro-2,3,4,5-tetrathia-7-aza-1H-cyclopenta[a]pentalene-1,6-dithione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716982	.	.	.	.	369.6	C13H7NS6	170	405	4.3	20	0	6	2	"InChI=1S/C13H7NS6/c15-12-8-10(17-19-12)11-9(13(16)20-18-11)14(8)6-7-4-2-1-3-5-7/h1-5H,6H2"	C1=CC=C(C=C1)CN2C3=C(C4=C2C(=S)SS4)SSC3=S	FJTJYWDXXQALAD-UHFFFAOYSA-N
DG59543	"N-[2-[Bis(3-oxo-5-chloro-3H-1,2-dithiol-4-yl)amino]ethyl]-3,4,5,6-tetrachlorophthalimide"	402776	"NSC716983; CHEMBL2003557; NSC-716983; NCI60_040442; N-[2-[Bis(3-oxo-5-chloro-3H-1,2-dithiol-4-yl)amino]ethyl]-3,4,5,6-tetrachlorophthalimide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716983	.	.	.	.	629.2	C16H4Cl6N2O4S4	176	908	6.2	32	0	9	5	InChI=1S/C16H4Cl6N2O4S4/c17-5-3-4(6(18)8(20)7(5)19)14(26)24(13(3)25)2-1-23(9-11(21)29-31-15(9)27)10-12(22)30-32-16(10)28/h1-2H2	C(CN(C1=C(SSC1=O)Cl)C2=C(SSC2=O)Cl)N3C(=O)C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl	DPJOIFQITJHXDJ-UHFFFAOYSA-N
DG59544	"4,4'-Iminobis(5-chloro-3h-1,2-dithiol-3-one)"	402777	"NSC716984; C6HCl2NO2S4; 4,4'-iminobis(5-chloro-3h-1,2-dithiol-3-one); CHEMBL2006996; NSC-716984; NCI60_040443; N,N-bis(5-chloro-3-oxo[1,2]dithiol-4-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716984	.	.	.	.	318.3	C6HCl2NO2S4	147	381	2.8	15	1	7	2	InChI=1S/C6HCl2NO2S4/c7-3-1(5(10)14-12-3)9-2-4(8)13-15-6(2)11/h9H	C1(=C(SSC1=O)Cl)NC2=C(SSC2=O)Cl	NWUPBFWMEGIMRD-UHFFFAOYSA-N
DG59545	"2-[5-benzyl-3-[3-(4-chlorophenoxy)phenyl]-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide"	402787	NSC717038; CHEMBL1967412; NSC-717038; NCI60_040449	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717038	.	.	.	.	568	C32H26ClN3O5	102	946	5	41	1	6	8	"InChI=1S/C32H26ClN3O5/c33-23-14-16-24(17-15-23)40-25-13-7-12-22(18-25)27-26-29(32(39)35(31(26)38)19-20-8-3-1-4-9-20)41-36(27)28(30(34)37)21-10-5-2-6-11-21/h1-18,26-29H,19H2,(H2,34,37)"	C1=CC=C(C=C1)CN2C(=O)C3C(N(OC3C2=O)C(C4=CC=CC=C4)C(=O)N)C5=CC(=CC=C5)OC6=CC=C(C=C6)Cl	ODGAFOPGXYOVCA-UHFFFAOYSA-N
DG59546	NSC717040	402789	"2-[5-(4-bromo-2-chlorophenyl)-3-(2-methylacridin-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide; NSC717040; CHEMBL1980914; NSC-717040; NCI60_040451"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717040	.	.	.	.	655.9	C33H24BrClN4O4	106	1090	6.2	43	1	6	5	"InChI=1S/C33H24BrClN4O4/c1-17-11-13-24-21(15-17)26(20-9-5-6-10-23(20)37-24)29-27-30(43-39(29)28(31(36)40)18-7-3-2-4-8-18)33(42)38(32(27)41)25-14-12-19(34)16-22(25)35/h2-16,27-30H,1H3,(H2,36,40)"	CC1=CC2=C(C3=CC=CC=C3N=C2C=C1)C4C5C(C(=O)N(C5=O)C6=C(C=C(C=C6)Br)Cl)ON4C(C7=CC=CC=C7)C(=O)N	PNFNACFQVJUTPG-UHFFFAOYSA-N
DG59547	NSC717042	402791	"2-[4-[[5-(4-methoxyphenyl)-3-(10-methylanthracen-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]methyl]phenyl]acetamide; NSC717042; CHEMBL1996945; NSC-717042; NCI60_040452"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717042	.	.	.	.	585.6	C36H31N3O5	102	1040	5.4	44	1	6	7	"InChI=1S/C36H31N3O5/c1-21-26-7-3-5-9-28(26)31(29-10-6-4-8-27(21)29)33-32-34(36(42)39(35(32)41)24-15-17-25(43-2)18-16-24)44-38(33)20-23-13-11-22(12-14-23)19-30(37)40/h3-18,32-34H,19-20H2,1-2H3,(H2,37,40)"	CC1=C2C=CC=CC2=C(C3=CC=CC=C13)C4C5C(C(=O)N(C5=O)C6=CC=C(C=C6)OC)ON4CC7=CC=C(C=C7)CC(=O)N	HCYWFEUHLIXYRJ-UHFFFAOYSA-N
DG59548	"2-[(4-Hydroxy-phenylamino)-methyl]-benzene-1,4-diol"	402810	"CHEMBL123046; NSC717061; SCHEMBL9163440; BDBM50291038; NSC-717061; NCI60_040456; 2-[(4-Hydroxy-phenylamino)-methyl]-benzene-1,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717061	.	.	.	.	231.25	C13H13NO3	72.7	229	2.3	17	4	4	3	"InChI=1S/C13H13NO3/c15-11-3-1-10(2-4-11)14-8-9-7-12(16)5-6-13(9)17/h1-7,14-17H,8H2"	C1=CC(=CC=C1NCC2=C(C=CC(=C2)O)O)O	AODCQEOEMRWMAS-UHFFFAOYSA-N
DG59549	"2,2-Bis(1H-indol-3-yl)ethylcarbamic acid tert-butyl ester"	402818	"NSC717069; CHEMBL1983601; NSC-717069; NCI60_040462; 2,2-Bis(1H-indol-3-yl)ethylcarbamic acid tert-butyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717069	.	.	.	.	375.5	C23H25N3O2	69.9	515	4.6	28	3	2	6	"InChI=1S/C23H25N3O2/c1-23(2,3)28-22(27)26-14-19(17-12-24-20-10-6-4-8-15(17)20)18-13-25-21-11-7-5-9-16(18)21/h4-13,19,24-25H,14H2,1-3H3,(H,26,27)"	CC(C)(C)OC(=O)NCC(C1=CNC2=CC=CC=C21)C3=CNC4=CC=CC=C43	RFAPSNMBPZRKCX-UHFFFAOYSA-N
DG59550	"Dimethyl 4,6-bis(tert-butylimino)thieno[2,3-c]thiophene-2,3-dicarboxylate"	402821	NSC717072; CHEMBL1964638; NSC-717072; NCI60_040465	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717072	.	.	.	.	396.5	C18H24N2O4S2	131	647	4	26	0	8	6	"InChI=1S/C18H24N2O4S2/c1-17(2,3)19-13-9-10(15(21)23-7)12(16(22)24-8)25-11(9)14(26-13)20-18(4,5)6/h1-8H3"	CC(C)(C)N=C1C2=C(C(=NC(C)(C)C)S1)SC(=C2C(=O)OC)C(=O)OC	DTDBLPNPRSPFBC-UHFFFAOYSA-N
DG59551	"Tetramethyl 3'-tert-butyliminospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate"	402822	NSC717073; CHEMBL1990121; NSC-717073; NCI60_040466	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717073	.	.	.	.	563.7	C20H21NO8S5	244	1070	3.1	34	0	14	9	"InChI=1S/C20H21NO8S5/c1-19(2,3)21-14-12-13(33-34-14)20(8(15(22)26-4)9(30-12)16(23)27-5)31-10(17(24)28-6)11(32-20)18(25)29-7/h1-7H3"	CC(C)(C)N=C1C2=C(C3(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S3)C(=O)OC)C(=O)OC)SS1	FRVVSSMVTVLIBH-UHFFFAOYSA-N
DG59552	"2-Dimethoxyphosphoryl-1-[3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone"	402827	NSC717079; CHEMBL1971140; NSC-717079; NCI60_040470	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717079	.	.	.	.	660.7	C37H41O9P	98.8	932	4.7	47	0	9	17	"InChI=1S/C37H41O9P/c1-40-47(39,41-2)27-32(38)33-34(42-23-28-15-7-3-8-16-28)35(43-24-29-17-9-4-10-18-29)36(44-25-30-19-11-5-12-20-30)37(46-33)45-26-31-21-13-6-14-22-31/h3-22,33-37H,23-27H2,1-2H3"	COP(=O)(CC(=O)C1C(C(C(C(O1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC	DPMSORJUKBRMCT-UHFFFAOYSA-N
DG59553	"(1S,5S,7R)-1-Phenyl-5-benzoyl-7-acetoxy-2-thiabicyclo[3.2.0]heptane-3,4-dione"	402836	"NSC717089; CHEMBL1991032; NSC-717089; NCI60_040473; (1S,5S,7R)-1-Phenyl-5-benzoyl-7-acetoxy-2-thiabicyclo[3.2.0]heptane-3,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717089	.	.	.	.	380.4	C21H16O5S	103	676	3.1	27	0	6	5	"InChI=1S/C21H16O5S/c1-13(22)26-16-12-20(17(23)14-8-4-2-5-9-14)18(24)19(25)27-21(16,20)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3/t16-,20+,21-/m1/s1"	CC(=O)O[C@@H]1C[C@]2([C@@]1(SC(=O)C2=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4	RMLSHFDAUOPKJB-TYCQWZJGSA-N
DG59554	"(1R,5S)-1,7-Diphenyl-5-benzoyl-2-oxabicyclo[3.2.0]hepta-6-ene-3,4-dione"	402837	"NSC717090; CHEMBL1973404; NSC-717090; NCI60_040474; (1R,5S)-1,7-Diphenyl-5-benzoyl-2-oxabicyclo[3.2.0]hepta-6-ene-3,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717090	.	.	.	.	380.4	C25H16O4	60.4	734	4.2	29	0	4	4	"InChI=1S/C25H16O4/c26-21(18-12-6-2-7-13-18)24-16-20(17-10-4-1-5-11-17)25(24,29-23(28)22(24)27)19-14-8-3-9-15-19/h1-16H/t24-,25+/m0/s1"	C1=CC=C(C=C1)C2=C[C@]3([C@@]2(OC(=O)C3=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5	DVWBTIMAWWEUQB-LOSJGSFVSA-N
DG59555	"6-[2-(Dimethylamino)ethylamino]indeno[2,1-c]quinolin-7-one"	402859	NSC717123; CHEMBL1977272; NSC-717123; NCI60_040481	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717123	.	.	.	.	317.4	C20H19N3O	45.2	466	4.2	24	1	4	4	"InChI=1S/C20H19N3O/c1-23(2)12-11-21-20-18-17(15-9-5-6-10-16(15)22-20)13-7-3-4-8-14(13)19(18)24/h3-10H,11-12H2,1-2H3,(H,21,22)"	CN(C)CCNC1=NC2=CC=CC=C2C3=C1C(=O)C4=CC=CC=C43	JOSQLWOOECWACK-UHFFFAOYSA-N
DG59556	2-Amino-5-(5-fluorobenzo[d]thiazol-2-yl)benzonitrile	402862	328087-45-2; 2-amino-5-(5-fluorobenzo[d]thiazol-2-yl)benzonitrile; NSC717147; CHEMBL141439; SCHEMBL5691125; ZINC1661550; NSC-717147; NCI60_040484; 2-Amino-5-(5-fluoro-2-benzothiazolyl)benzonitrile; 5-Fluoro-2-(4'-amino-3'-cyanophenyl)benzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717147	.	.	.	.	269.3	C14H8FN3S	90.9	382	3.7	19	1	5	1	"InChI=1S/C14H8FN3S/c15-10-2-4-13-12(6-10)18-14(19-13)8-1-3-11(17)9(5-8)7-16/h1-6H,17H2"	C1=CC(=C(C=C1C2=NC3=C(S2)C=CC(=C3)F)C#N)N	GNMLNGDFMLEYNR-UHFFFAOYSA-N
DG59557	5-Fluoro-2-(4'-amino-3'-(hydroxymethyl)phenyl)benzothiazole	402863	NSC717148; SCHEMBL5691294; CHEMBL1988823; NSC-717148; NCI60_040485; 5-Fluoro-2-(4'-amino-3'-(hydroxymethyl)phenyl)benzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717148	.	.	.	.	274.32	C14H11FN2OS	87.4	320	3.1	19	2	5	2	"InChI=1S/C14H11FN2OS/c15-10-2-4-13-12(6-10)17-14(19-13)8-1-3-11(16)9(5-8)7-18/h1-6,18H,7,16H2"	C1=CC(=C(C=C1C2=NC3=C(S2)C=CC(=C3)F)CO)N	UZVIEHHFXNOPBW-UHFFFAOYSA-N
DG59558	"O-(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) benzenecarbothioate"	402865	NSC717154; CHEMBL1965977; NSC-717154; NCI60_040486	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717154	.	.	.	.	402.5	C21H22O6S	98.5	519	2.7	28	1	7	5	"InChI=1S/C21H22O6S/c1-23-20-18(27-21(28)14-10-6-3-7-11-14)16(22)17-15(25-20)12-24-19(26-17)13-8-4-2-5-9-13/h2-11,15-20,22H,12H2,1H3"	COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)O)OC(=S)C4=CC=CC=C4	IKZDKHCUTFBVAG-UHFFFAOYSA-N
DG59559	"O-(7-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzenecarbothioate"	402866	NSC717155; CHEMBL1994228; NSC-717155; NCI60_040487	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717155	.	.	.	.	402.5	C21H22O6S	98.5	519	2.7	28	1	7	5	"InChI=1S/C21H22O6S/c1-23-20-16(22)18(27-21(28)14-10-6-3-7-11-14)17-15(25-20)12-24-19(26-17)13-8-4-2-5-9-13/h2-11,15-20,22H,12H2,1H3"	COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OC(=S)C4=CC=CC=C4)O	LSOPCVDIXDXVAS-UHFFFAOYSA-N
DG59560	"(S)-2-[4-[2-(2,4-Diaminopyrido[2,3-d]pyrimidine-5-yl)ethyl]benzoylamino]pentanedioic acid"	402874	"NSC717164; CHEMBL1992916; NSC-717164; NCI60_040492; (S)-2-[4-[2-(2,4-Diaminopyrido[2,3-d]pyrimidine-5-yl)ethyl]benzoylamino]pentanedioic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717164	.	.	.	.	438.4	C21H22N6O5	194	671	1.1	32	5	10	9	"InChI=1S/C21H22N6O5/c22-17-16-12(9-10-24-18(16)27-21(23)26-17)4-1-11-2-5-13(6-3-11)19(30)25-14(20(31)32)7-8-15(28)29/h2-3,5-6,9-10,14H,1,4,7-8H2,(H,25,30)(H,28,29)(H,31,32)(H4,22,23,24,26,27)/t14-/m0/s1"	C1=CC(=CC=C1CCC2=C3C(=NC(=NC3=NC=C2)N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	PJJAAFHOIZFSDR-AWEZNQCLSA-N
DG59561	"7-(2,5-Dimethoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine"	402877	NSC717167; CHEMBL1968621; NSC-717167; NCI60_040494	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717167	.	.	.	.	351.4	C19H21N5O2	109	481	2.9	26	2	7	3	"InChI=1S/C19H21N5O2/c1-25-10-6-7-15(26-2)13(8-10)11-4-3-5-12-14(11)9-22-18-16(12)17(20)23-19(21)24-18/h6-9,11H,3-5H2,1-2H3,(H4,20,21,22,23,24)"	COC1=CC(=C(C=C1)OC)C2CCCC3=C4C(=NC(=NC4=NC=C23)N)N	MAKJOOFFSYGGBL-UHFFFAOYSA-N
DG59562	"(7aR)-1,6-bis(4-methoxyphenyl)-7a-phenyl-5,7-dihydroimidazo[1,5-b][1,2,4]oxadiazol-2-one"	402882	NSC717189; CHEMBL1973554; NSC-717189; NCI60_040500	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717189	.	.	.	.	417.5	C24H23N3O4	54.5	626	4.8	31	0	6	5	"InChI=1S/C24H23N3O4/c1-29-21-12-8-19(9-13-21)25-16-24(18-6-4-3-5-7-18)26(17-25)31-23(28)27(24)20-10-14-22(30-2)15-11-20/h3-15H,16-17H2,1-2H3/t24-/m1/s1"	COC1=CC=C(C=C1)N2C[C@]3(N(C2)OC(=O)N3C4=CC=C(C=C4)OC)C5=CC=CC=C5	SDGLPUMPHYFLKC-XMMPIXPASA-N
DG59563	"2,3,9,10-Tetramethoxy-12-phenyl-7,12-dihydro-5H-6,12-methanodibenz[c,f]azocine"	402884	"NSC717191; CHEMBL2001563; NSC-717191; NCI60_040501; 2,3,9,10-Tetramethoxy-12-phenyl-7,12-dihydro-5H-6,12-methanodibenz[c,f]azocine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717191	.	.	.	.	417.5	C26H27NO4	40.2	570	4.4	31	0	5	5	"InChI=1S/C26H27NO4/c1-28-22-10-17-14-27-15-18-11-23(29-2)25(31-4)13-21(18)26(16-27,19-8-6-5-7-9-19)20(17)12-24(22)30-3/h5-13H,14-16H2,1-4H3"	COC1=C(C=C2C(=C1)CN3CC4=CC(=C(C=C4C2(C3)C5=CC=CC=C5)OC)OC)OC	GPAVWIODZIREBM-UHFFFAOYSA-N
DG59564	2-(3-Iodo-4-hydroxy-5-methoxyphenyl)-3-(4-chlorophenyl)thiazolidine-4-one	402891	NSC717208; CHEMBL1969056; NSC-717208; NCI60_040505; 2-(3-Iodo-4-hydroxy-5-methoxyphenyl)-3-(4-chlorophenyl)thiazolidine-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717208	.	.	.	.	461.7	C16H13ClINO3S	75.1	436	4.3	23	1	4	3	"InChI=1S/C16H13ClINO3S/c1-22-13-7-9(6-12(18)15(13)21)16-19(14(20)8-23-16)11-4-2-10(17)3-5-11/h2-7,16,21H,8H2,1H3"	COC1=C(C(=CC(=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)Cl)I)O	VPUNEHVWCPVDTM-UHFFFAOYSA-N
DG59565	1-(4-Bromophenyl)-2-(3-iodo-4-hydroxy-5-methoxyphenyl)-3-chloroazetidine-4-one	402893	NSC717210; CHEMBL1991897; NSC-717210; NCI60_040506; 1-(4-Bromophenyl)-2-(3-iodo-4-hydroxy-5-methoxyphenyl)-3-chloroazetidine-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717210	.	.	.	.	508.53	C16H12BrClINO3	49.8	449	4.2	23	1	3	3	"InChI=1S/C16H12BrClINO3/c1-23-12-7-8(6-11(19)15(12)21)14-13(18)16(22)20(14)10-4-2-9(17)3-5-10/h2-7,13-14,21H,1H3"	COC1=C(C(=CC(=C1)C2C(C(=O)N2C3=CC=C(C=C3)Br)Cl)I)O	WKBZSTCAQSWCIN-UHFFFAOYSA-N
DG59566	"3-[[(5,6,7,8-Tetrahydronaphthalene-2-yl)oxy]methyl]-6-(2-hydroxy-5-chlorophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine"	402901	"NSC717218; CHEMBL1982998; NSC-717218; NCI60_040513; 3-[[(5,6,7,8-Tetrahydronaphthalene-2-yl)oxy]methyl]-6-(2-hydroxy-5-chlorophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717218	.	.	.	.	426.9	C21H19ClN4O2S	97.8	611	5.1	29	1	6	4	"InChI=1S/C21H19ClN4O2S/c22-15-6-8-19(27)17(10-15)18-12-29-21-24-23-20(26(21)25-18)11-28-16-7-5-13-3-1-2-4-14(13)9-16/h5-10,27H,1-4,11-12H2"	C1CCC2=C(C1)C=CC(=C2)OCC3=NN=C4N3N=C(CS4)C5=C(C=CC(=C5)Cl)O	NHCROEAXFXFFMC-UHFFFAOYSA-N
DG59567	NSC717228	402906	"Ethyl 6-butyl-3-methylsulfanyl-9,11-dioxo-15-thia-2,4,6,8-tetrazatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),12-tetraene-10-carboxylate; NSC717228; Oprea1_778796; CHEMBL1966442; NSC-717228; NCI60_040516"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717228	.	.	.	.	420.5	C18H20N4O4S2	146	666	3.8	28	0	9	7	"InChI=1S/C18H20N4O4S2/c1-4-6-7-21-8-22-11-9-14(21)19-18(27-3)20-15(9)28-13(11)12(23)10(16(22)24)17(25)26-5-2/h10H,4-8H2,1-3H3"	CCCCN1CN2C(=O)C(C(=O)C3=C2C4=C1N=C(N=C4S3)SC)C(=O)OCC	UNLJEZANVBQVQL-UHFFFAOYSA-N
DG59568	"N-[(R)-1-(9-Anthryl)ethyl]-4-chloro-6-methoxy-1,3,5-triazine-2-amine"	402908	"NSC717230; CHEMBL1981959; NSC-717230; NCI60_040517; N-[(R)-1-(9-Anthryl)ethyl]-4-chloro-6-methoxy-1,3,5-triazine-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717230	.	.	.	.	364.8	C20H17ClN4O	59.9	445	6	26	1	5	4	"InChI=1S/C20H17ClN4O/c1-12(22-19-23-18(21)24-20(25-19)26-2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-12H,1-2H3,(H,22,23,24,25)/t12-/m1/s1"	C[C@H](C1=C2C=CC=CC2=CC3=CC=CC=C31)NC4=NC(=NC(=N4)Cl)OC	JGBQYJWIBDYWOM-GFCCVEGCSA-N
DG59569	"(3'aR,7'aR)-4,4-dimethyl-2-phenylspiro[1,3-thiazole-5,2'-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]dithiole]"	402919	"NSC717241; CHEMBL2000965; NSC-717241; NCI60_040521; 2'-Phenyl-4',4'-dimethyl-3abeta,4,5,6,7,7aalpha-hexahydrospiro[1,3-benzodithiol-2,5'(4'H)-thiazole]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717241	.	.	.	.	335.6	C17H21NS3	88.3	425	5.1	21	0	4	1	"InChI=1S/C17H21NS3/c1-16(2)17(19-13-10-6-7-11-14(13)20-17)21-15(18-16)12-8-4-3-5-9-12/h3-5,8-9,13-14H,6-7,10-11H2,1-2H3/t13-,14-/m1/s1"	CC1(C2(S[C@@H]3CCCC[C@H]3S2)SC(=N1)C4=CC=CC=C4)C	VBQAUJUDMWRJMA-ZIAGYGMSSA-N
DG59570	"5-[2-(2,5-Dimethoxy-phenyl)-acetyl]-N-[2-(4-fluoro-phenyl)-ethyl]-2-hydroxy-benzamide"	402948	"CHEMBL44776; NSC717356; BDBM50127073; NSC-717356; NCI60_040528; 5-[2-(2,5-Dimethoxy-phenyl)-acetyl]-N-[2-(4-fluoro-phenyl)-ethyl]-2-hydroxy-benzamide; 5-[2-(2,5-dimethoxyphenyl)acetyl]-2-hydroxyphenyl]-~N-[2-(4-fluorophenyl)ethyl]carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717356	.	.	.	.	437.5	C25H24FNO5	84.9	609	4.7	32	2	6	9	"InChI=1S/C25H24FNO5/c1-31-20-8-10-24(32-2)18(13-20)15-23(29)17-5-9-22(28)21(14-17)25(30)27-12-11-16-3-6-19(26)7-4-16/h3-10,13-14,28H,11-12,15H2,1-2H3,(H,27,30)"	COC1=CC(=C(C=C1)OC)CC(=O)C2=CC(=C(C=C2)O)C(=O)NCCC3=CC=C(C=C3)F	PFUICXQINROWGD-UHFFFAOYSA-N
DG59571	"3-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one"	402963	NSC717371; CHEMBL1980915; NSC-717371; NCI60_040530	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717371	.	.	.	.	489.5	C26H23N3O5S	95.6	962	3.9	35	0	6	5	"InChI=1S/C26H23N3O5S/c1-18-24(25(31)29(27(18)2)20-11-5-3-6-12-20)28-23(30)17-35(32,33)26(28)19-10-9-15-22(16-19)34-21-13-7-4-8-14-21/h3-16,26H,17H2,1-2H3"	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(S(=O)(=O)CC3=O)C4=CC(=CC=C4)OC5=CC=CC=C5	ARDRUFYZKSGRPW-UHFFFAOYSA-N
DG59572	"phenyl N-[2-(3,4-dimethylanilino)-1-(1H-indol-3-ylmethyl)-2-oxoethyl]carbamate"	402974	"NSC717447; ChemDiv1_017738; Oprea1_787190; CHEMBL2003330; HMS637G06; STK755204; AKOS001714221; MCULE-2710351064; NSC-717447; NCI60_040531; SR-01000515398; SR-01000515398-1; N-(3,4-dimethylphenyl)-Nalpha-(phenoxycarbonyl)tryptophanamide; phenyl N-[2-(3,4-dimethylanilino)-1-(1H-indol-3-ylmethyl)-2-oxoethyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717447	.	.	.	.	427.5	C26H25N3O3	83.2	636	5.1	32	3	3	7	"InChI=1S/C26H25N3O3/c1-17-12-13-20(14-18(17)2)28-25(30)24(29-26(31)32-21-8-4-3-5-9-21)15-19-16-27-23-11-7-6-10-22(19)23/h3-14,16,24,27H,15H2,1-2H3,(H,28,30)(H,29,31)"	CC1=C(C=C(C=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OC4=CC=CC=C4)C	PXVVFJKQJLSRKM-UHFFFAOYSA-N
DG59573	"2-(4-Methoxyphenyl)-7-methylimidazo[2,1-b][1,3]benzothiazole"	402995	"38956-32-0; 2-(4-methoxyphenyl)-7-methylimidazo[2,1-b][1,3]benzothiazole; 4-(4-methoxyphenyl)-10-methyl-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaene; NSC717468; Oprea1_503130; CHEMBL1972678; ZINC63364; 2-(4-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole; STK673166; AKOS003006820; MCULE-7250613482; NSC-717468; NCI60_040538; 8X-0820; SR-01000515907; SR-01000515907-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717468	.	.	.	.	294.4	C17H14N2OS	54.8	372	5.3	21	0	3	2	"InChI=1S/C17H14N2OS/c1-11-3-8-15-16(9-11)21-17-18-14(10-19(15)17)12-4-6-13(20-2)7-5-12/h3-10H,1-2H3"	CC1=CC2=C(C=C1)N3C=C(N=C3S2)C4=CC=C(C=C4)OC	XPUBULNOUXFYNL-UHFFFAOYSA-N
DG59574	"3-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-indole"	403004	"3-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-indole; NSC717477; CHEMBL1965269; ZINC714032; STK755769; AKOS001718489; MCULE-9046928849; NSC-717477; NCI60_040543; AG-205/36953246; SR-01000516117; SR-01000516117-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717477	.	.	.	.	382.5	C23H18N4S	71.8	491	5.2	28	1	3	5	"InChI=1S/C23H18N4S/c1-3-9-17(10-4-1)22-25-26-23(27(22)19-11-5-2-6-12-19)28-16-18-15-24-21-14-8-7-13-20(18)21/h1-15,24H,16H2"	C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CNC5=CC=CC=C54	JHOJINRCNRUROK-UHFFFAOYSA-N
DG59575	"5,6-dimethyl-N-phenethylthieno[2,3-d]pyrimidin-4-amine"	403008	"5,6-dimethyl-N-phenethylthieno[2,3-d]pyrimidin-4-amine; 311775-13-0; 5,6-dimethyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine; NSC717481; Oprea1_494131; Oprea1_751615; CHEMBL2006874; SCHEMBL13431520; ZINC34699; CCG-25891; MFCD00981754; STK755838; AKOS000811175; MCULE-1094305823; NSC-717481; NCI60_040545; SR-01000516223; SR-01000516223-1; F1142-5405; N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-phenethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717481	.	.	.	.	283.4	C16H17N3S	66	306	4.6	20	1	4	4	"InChI=1S/C16H17N3S/c1-11-12(2)20-16-14(11)15(18-10-19-16)17-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,17,18,19)"	CC1=C(SC2=NC=NC(=C12)NCCC3=CC=CC=C3)C	FRYCCZAEQMQZNB-UHFFFAOYSA-N
DG59576	"N,N'-bis(3-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine"	403009	"NSC717482; CBMicro_023391; ChemDiv1_000484; Oprea1_344810; CHEMBL2000153; SCHEMBL13745482; HMS588F22; ZINC4455806; CCG-11183; STK755848; AKOS000518818; N*2*,N*4*-Bis-(3-methoxy-phenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine; MCULE-1516205885; NSC-717482; NCI60_040546; BIM-0023583.P001; SR-01000401980; SR-01000401980-1; N,N'-bis(3-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717482	.	.	.	.	381.4	C19H19N5O4	114	505	4.7	28	2	8	6	"InChI=1S/C19H19N5O4/c1-12-17(24(25)26)18(21-13-6-4-8-15(10-13)27-2)23-19(20-12)22-14-7-5-9-16(11-14)28-3/h4-11H,1-3H3,(H2,20,21,22,23)"	CC1=C(C(=NC(=N1)NC2=CC(=CC=C2)OC)NC3=CC(=CC=C3)OC)[N+](=O)[O-]	IZKDSSXDJUOGEM-UHFFFAOYSA-N
DG59577	Ethyl 6-bromo-5-methoxy-1-phenyl-2-(1-pyrrolidinylmethyl)-1H-indole-3-carboxylate	403013	"NSC717486; Oprea1_796293; CHEMBL1988049; ZINC5222214; STK093861; AKOS001717532; MCULE-3818149268; NSC-717486; NCI60_040547; Ethyl 6-bromo-5-methoxy-1-phenyl-2-(1-pyrrolidinylmethyl)-1H-indole-3-carboxylate; Ethyl 6-bromo-5-methoxy-1-phenyl-2-(1-pyrrolidinylmethyl)-1H-indole-3-carboxylate #; ethyl 6-bromo-5-methoxy-1-phenyl-2-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate; Indole-3-carboxylic acid, 6-bromo-5-methoxy-1-phenyl-2-(1-pyrrolidinylmethyl-, ethyl ester; 329212-53-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717486	.	.	.	.	457.4	C23H25BrN2O3	43.7	550	4.9	29	0	4	7	"InChI=1S/C23H25BrN2O3/c1-3-29-23(27)22-17-13-21(28-2)18(24)14-19(17)26(16-9-5-4-6-10-16)20(22)15-25-11-7-8-12-25/h4-6,9-10,13-14H,3,7-8,11-12,15H2,1-2H3"	CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CN4CCCC4	VYUQRLYKYWEPHX-UHFFFAOYSA-N
DG59578	"2-(1,3-benzothiazol-2-yl)-4-[(E)-{[2-(1H-indol-3-yl)ethyl]imino}methyl]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one"	403016	"NSC717489; CHEMBL1969460; STK755911; AKOS001716260; MCULE-2440072143; MCULE-7911340334; NSC-717489; NCI60_040549; EU-0084758; 2-(1,3-benzothiazol-2-yl)-4-[(E)-{[2-(1H-indol-3-yl)ethyl]imino}methyl]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717489	.	.	.	.	455.5	C22H16F3N5OS	102	775	5.1	32	1	8	5	"InChI=1S/C22H16F3N5OS/c23-22(24,25)19-15(12-26-10-9-13-11-27-16-6-2-1-5-14(13)16)20(31)30(29-19)21-28-17-7-3-4-8-18(17)32-21/h1-8,11-12,15,27H,9-10H2"	C1=CC=C2C(=C1)C(=CN2)CCN=CC3C(=NN(C3=O)C4=NC5=CC=CC=C5S4)C(F)(F)F	ZRXOMABEDWDRJR-UHFFFAOYSA-N
DG59579	2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]-N-(4-chlorophenyl)acetamide	403045	NSC717517; Oprea1_708596; CHEMBL1993213; ZINC1661672; STK756244; AKOS001722581; MCULE-8791016282; NSC-717517; NCI60_040561; SR-01000516780; SR-01000516780-1; 2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]-N-(4-chlorophenyl)acetamide; 2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]-N~1~-(4-chlorophenyl)acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717517	.	.	.	.	421	C24H21ClN2OS	59.3	533	5.5	29	1	2	6	"InChI=1S/C24H21ClN2OS/c1-29-24-20-9-5-6-10-21(20)27(16-17-7-3-2-4-8-17)22(24)15-23(28)26-19-13-11-18(25)12-14-19/h2-14H,15-16H2,1H3,(H,26,28)"	CSC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)Cl	PSWUWKSWXBQZGC-UHFFFAOYSA-N
DG59580	"benzyl N-[1-(2,5-dimethylanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate"	403063	NSC717535; ChemDiv1_017832; Oprea1_512282; CHEMBL1973905; HMS637K12; AKOS001039491; NSC-717535; NCI60_040570; SR-01000517270; SR-01000517270-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717535	.	.	.	.	441.5	C27H27N3O3	83.2	651	5.2	33	3	3	8	"InChI=1S/C27H27N3O3/c1-18-12-13-19(2)24(14-18)29-26(31)25(15-21-16-28-23-11-7-6-10-22(21)23)30-27(32)33-17-20-8-4-3-5-9-20/h3-14,16,25,28H,15,17H2,1-2H3,(H,29,31)(H,30,32)"	CC1=CC(=C(C=C1)C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4	KRMJMNXHUNMACV-UHFFFAOYSA-N
DG59581	"5-[1-(4-chlorobenzyl)-1H-indol-3-yl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one"	403068	"5-[1-(4-chlorobenzyl)-1H-indol-3-yl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one; NSC717539; ChemDiv1_019916; CHEMBL1995669; HMS643J06; STK756536; AKOS005615852; MCULE-8793835555; NSC-717539; NCI60_040572; AG-205/37007404"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717539	.	.	.	.	517.1	C34H29ClN2O	34	935	7.7	38	1	2	3	"InChI=1S/C34H29ClN2O/c1-34(2)17-26-31-24-8-4-3-7-22(24)13-16-28(31)36-33(32(26)30(38)18-34)27-20-37(29-10-6-5-9-25(27)29)19-21-11-14-23(35)15-12-21/h3-16,20,33,36H,17-19H2,1-2H3"	CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CN(C6=CC=CC=C65)CC7=CC=C(C=C7)Cl)C(=O)C1)C	OREQNSPAFLLDAI-UHFFFAOYSA-N
DG59582	"[1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl](2,3-difluorophenyl)methanone"	403081	"[1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl](2,3-difluorophenyl)methanone; NSC717553; ChemDivAM_000505; ChemDiv1_011172; Oprea1_641610; CHEMBL2006723; HMS618L18; STK756748; ZINC01436583; AKOS001732164; MCULE-3089461646; NSC-717553; NCI60_040578; SR-01000517631; SR-01000517631-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717553	.	.	.	.	432.4	C25H18F2N2O3	54.6	711	4.8	32	1	5	2	"InChI=1S/C25H18F2N2O3/c26-18-6-3-5-17(22(18)27)25(30)29-11-10-16-15-4-1-2-7-19(15)28-23(16)24(29)14-8-9-20-21(12-14)32-13-31-20/h1-9,12,24,28H,10-11,13H2"	C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C(=O)C6=C(C(=CC=C6)F)F	ZDULKAHHRQEWKJ-UHFFFAOYSA-N
DG59583	"Ethyl 2-{[({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}oxy)acetyl]amino}-1,3-benzothiazole-6-carboxylate"	403085	"NSC717557; CHEMBL2003626; ZINC1661691; STK231324; AKOS005420542; MCULE-8140257428; NSC-717557; NCI60_040581; SR-01000517741; SR-01000517741-1; ethyl 2-{[({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}oxy)acetyl]amino}-1,3-benzothiazole-6-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717557	.	.	.	.	460.5	C20H20N4O5S2	174	645	3.7	31	1	10	10	"InChI=1S/C20H20N4O5S2/c1-4-28-18(27)13-5-6-14-15(8-13)31-20(23-14)24-16(25)9-29-17(26)10-30-19-21-11(2)7-12(3)22-19/h5-8H,4,9-10H2,1-3H3,(H,23,24,25)"	CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)CSC3=NC(=CC(=N3)C)C	HYVBVRPNMUPXBK-UHFFFAOYSA-N
DG59584	ethyl 6-bromo-5-hydroxy-1-phenyl-2-(1-pyrrolidinylmethyl)-1H-indole-3-carboxylate	403088	TCMDC-124122; NSC717560; ChemDiv1_002532; Oprea1_421960; CHEMBL580281; HMS594D02; ZINC6041173; STK756838; AKOS003827819; MCULE-9374718987; NSC-717560; NCI60_040583; EU-0051667; SR-01000427177; SR-01000427177-1; BRD-K71956246-001-01-4; ethyl 6-bromo-5-hydroxy-1-phenyl-2-(1-pyrrolidinylmethyl)-1H-indole-3-carboxylate; ethyl 6-bromo-5-hydroxy-1-phenyl-2-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate; 296245-99-3	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717560	.	.	.	.	443.3	C22H23BrN2O3	54.7	536	4.6	28	1	4	6	"InChI=1S/C22H23BrN2O3/c1-2-28-22(27)21-16-12-20(26)17(23)13-18(16)25(15-8-4-3-5-9-15)19(21)14-24-10-6-7-11-24/h3-5,8-9,12-13,26H,2,6-7,10-11,14H2,1H3"	CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)CN4CCCC4	CRHJORBLGKSOEK-UHFFFAOYSA-N
DG59585	Ethyl 6-bromo-5-hydroxy-1-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate	403089	ethyl 6-bromo-5-hydroxy-1-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate; ethyl 6-bromo-5-hydroxy-1-phenyl-2-[(4-phenylpiperazino)methyl]-1H-indole-3-carboxylate; 330556-77-9; NSC717561; Oprea1_626381; C28H28BrN3O3; STK756864; ZINC97951878; AKOS001597572; MCULE-8778596377; NSC-717561; AG-205/37066185; BRD-K99665656-001-01-2; ethyl 6-bromo-5-hydroxy-1-phenyl-2-[(4-phenyl-1-piperazinyl)methyl]-1H-indole-3-carboxylate; ethyl 6-bromo-5-hydroxy-1-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-3-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717561	.	.	.	.	534.4	C28H28BrN3O3	57.9	691	5.7	35	1	5	7	"InChI=1S/C28H28BrN3O3/c1-2-35-28(34)27-22-17-26(33)23(29)18-24(22)32(21-11-7-4-8-12-21)25(27)19-30-13-15-31(16-14-30)20-9-5-3-6-10-20/h3-12,17-18,33H,2,13-16,19H2,1H3"	CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5	AHEAUICPFBCZIT-UHFFFAOYSA-N
DG59586	"9-methyl-3-nitroso-2-phenyl-9H-imidazo[1,2-a]benzimidazole"	403091	"NSC717563; CHEMBL1984308; 9-methyl-3-nitroso-2-phenyl-9H-imidazo[1,2-a]benzimidazole; ZINC4455912; STK673848; AKOS005593315; MCULE-8239353149; NSC-717563; NCI60_040585; 9-methyl-3-nitroso-2-phenylimidazo[1,2-a]benzimidazole; 9-methyl-3-nitroso-2-phenyl-9H-imidazo[1,2-a][1,3]benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717563	.	.	.	.	276.29	C16H12N4O	51.7	398	3.7	21	0	3	1	"InChI=1S/C16H12N4O/c1-19-12-9-5-6-10-13(12)20-15(18-21)14(17-16(19)20)11-7-3-2-4-8-11/h2-10H,1H3"	CN1C2=CC=CC=C2N3C1=NC(=C3N=O)C4=CC=CC=C4	CTLRNSMFCIIPOO-UHFFFAOYSA-N
DG59587	NSC717566	403094	"N-cyclohexyl-2-[(6-{[(E)-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide; NSC717566; Oprea1_565448; CHEMBL1968810; STK673880; ZINC33355309; AKOS001709557; ZINC252602750; MCULE-2781152754; MCULE-2813171480; NSC-717566; NCI60_040586; N-cyclohexyl-2-[(6-{[(E)-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide; N~1~-cyclohexyl-2-({6-[((E)-1-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717566	.	.	.	.	566.7	C26H26N6O3S3	197	842	6	38	1	9	8	"InChI=1S/C26H26N6O3S3/c1-31-12-11-27-25(31)37-22-10-7-17(13-21(22)32(34)35)15-28-19-8-9-20-23(14-19)38-26(30-20)36-16-24(33)29-18-5-3-2-4-6-18/h7-15,18H,2-6,16H2,1H3,(H,29,33)"	CN1C=CN=C1SC2=C(C=C(C=C2)C=NC3=CC4=C(C=C3)N=C(S4)SCC(=O)NC5CCCCC5)[N+](=O)[O-]	FKUUALRUFNRKIU-UHFFFAOYSA-N
DG59588	"3-[[5-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-indole"	403097	NSC717569; CHEMBL2001312; ZINC968988; AKOS024269533; MCULE-2783924510; NSC-717569; NCI60_040587; SR-01000518089; SR-01000518089-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717569	.	.	.	.	389.3	C18H14Cl2N4S	71.8	457	4.8	25	1	3	4	"InChI=1S/C18H14Cl2N4S/c1-24-17(14-7-6-12(19)8-15(14)20)22-23-18(24)25-10-11-9-21-16-5-3-2-4-13(11)16/h2-9,21H,10H2,1H3"	CN1C(=NN=C1SCC2=CNC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl	OBHBNCCDUQZSJN-UHFFFAOYSA-N
DG59589	"[1-(4-ethoxyphenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl](2-thienyl)methanone"	403099	"NSC717571; ChemDiv1_011311; Oprea1_591515; CHEMBL1974430; HMS619C03; STK757026; AKOS001708375; MCULE-4803291808; NSC-717571; NCI60_040589; SR-01000518123; SR-01000518123-1; [1-(4-ethoxyphenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl](2-thienyl)methanone; [1-(4-ethoxyphenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl](thiophen-2-yl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717571	.	.	.	.	402.5	C24H22N2O2S	73.6	579	5.1	29	1	3	4	"InChI=1S/C24H22N2O2S/c1-2-28-17-11-9-16(10-12-17)23-22-19(18-6-3-4-7-20(18)25-22)13-14-26(23)24(27)21-8-5-15-29-21/h3-12,15,23,25H,2,13-14H2,1H3"	CCOC1=CC=C(C=C1)C2C3=C(CCN2C(=O)C4=CC=CS4)C5=CC=CC=C5N3	JTWPHVBXINDCLN-UHFFFAOYSA-N
DG59590	1-[4-(2-Thienyl)phenyl]-2-(triphenylphosphoranylidene)ethanone	403100	NSC717572; CHEMBL1968949; NSC-717572; NCI60_040590; 1-[4-(2-Thienyl)phenyl]-2-(triphenylphosphoranylidene)ethanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717572	.	.	.	.	462.5	C30H23OPS	45.3	623	6.6	33	0	2	6	"InChI=1S/C30H23OPS/c31-29(24-18-20-25(21-19-24)30-17-10-22-33-30)23-32(26-11-4-1-5-12-26,27-13-6-2-7-14-27)28-15-8-3-9-16-28/h1-23H"	C1=CC=C(C=C1)P(=CC(=O)C2=CC=C(C=C2)C3=CC=CS3)(C4=CC=CC=C4)C5=CC=CC=C5	GTAJKXZJYWUXMB-UHFFFAOYSA-N
DG59591	"2-(3,4-Dichlorophenylcarbamoyl)-3,3a,4,5-tetrahydro-3-(4-chlorophenyl)-2H-benzo[g]indazole"	403116	"NSC717703; CHEMBL1987289; NSC-717703; NCI60_040597; 2-(3,4-Dichlorophenylcarbamoyl)-3,3a,4,5-tetrahydro-3-(4-chlorophenyl)-2H-benzo[g]indazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717703	.	.	.	.	470.8	C24H18Cl3N3O	44.7	696	6.4	31	1	2	2	"InChI=1S/C24H18Cl3N3O/c25-16-8-5-15(6-9-16)23-19-11-7-14-3-1-2-4-18(14)22(19)29-30(23)24(31)28-17-10-12-20(26)21(27)13-17/h1-6,8-10,12-13,19,23H,7,11H2,(H,28,31)"	C1CC2=CC=CC=C2C3=NN(C(C31)C4=CC=C(C=C4)Cl)C(=O)NC5=CC(=C(C=C5)Cl)Cl	QJXKUMIIQCDARM-UHFFFAOYSA-N
DG59592	NSC717705	403118	"(3R,7R,11R)-3,7-Bis[2-(methylthio)ethyl]-5,9-dioxo-11-[(tert-butyloxycarbonyl)amino]-13-(methylthio)-4,8-diazatridecanoic acid methyl ester; NSC717705; CHEMBL1994866; NSC-717705; NCI60_040598; (3R,7R,11R)-3,7-Bis[2-(methylthio)ethyl]-5,9-dioxo-11-[(tert-butyloxycarbonyl)amino]-13-(methylthio)-4,8-diazatridecanoic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717705	.	.	.	.	567.8	C24H45N3O6S3	199	676	2.5	36	3	9	21	"InChI=1S/C24H45N3O6S3/c1-24(2,3)33-23(31)27-18(9-12-35-6)15-21(29)25-17(8-11-34-5)14-20(28)26-19(10-13-36-7)16-22(30)32-4/h17-19H,8-16H2,1-7H3,(H,25,29)(H,26,28)(H,27,31)/t17-,18-,19-/m0/s1"	CC(C)(C)OC(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCSC)CC(=O)OC	VCPBVKHVLJCGIW-FHWLQOOXSA-N
DG59593	"(4R,8R,12R)-4,8,12-Tris(benzyloxymethyl)-1,5,9-triazacyclododecane-2,6,10-trione"	403120	"NSC717707; CHEMBL1985196; NSC-717707; NCI60_040599; (4R,8R,12R)-4,8,12-Tris(benzyloxymethyl)-1,5,9-triazacyclododecane-2,6,10-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717707	.	.	.	.	573.7	C33H39N3O6	115	703	2	42	3	6	12	"InChI=1S/C33H39N3O6/c37-31-16-28(22-40-19-25-10-4-1-5-11-25)34-32(38)17-29(23-41-20-26-12-6-2-7-13-26)36-33(39)18-30(35-31)24-42-21-27-14-8-3-9-15-27/h1-15,28-30H,16-24H2,(H,34,38)(H,35,37)(H,36,39)/t28-,29-,30-/m1/s1"	C1[C@@H](NC(=O)C[C@@H](NC(=O)C[C@@H](NC1=O)COCC2=CC=CC=C2)COCC3=CC=CC=C3)COCC4=CC=CC=C4	VUKURJNDEHKATH-IDZRBWSNSA-N
DG59594	NSC717708	403121	"(3R,7R,11R)-3,7-Bis(benzyloxymethyl)-5,9-dioxo-11-[(tert-butyloxycarbonyl)amino]-12-(benzyloxy)-4,8-diazadodecanoic acid methyl ester; NSC717708; CHEMBL1998468; NSC-717708; NCI60_040600; (3R,7R,11R)-3,7-Bis(benzyloxymethyl)-5,9-dioxo-11-[(tert-butyloxycarbonyl)amino]-12-(benzyloxy)-4,8-diazadodecanoic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717708	.	.	.	.	705.8	C39H51N3O9	151	1020	3.5	51	3	9	24	"InChI=1S/C39H51N3O9/c1-39(2,3)51-38(46)42-33(27-49-24-30-16-10-6-11-17-30)21-36(44)40-32(26-48-23-29-14-8-5-9-15-29)20-35(43)41-34(22-37(45)47-4)28-50-25-31-18-12-7-13-19-31/h5-19,32-34H,20-28H2,1-4H3,(H,40,44)(H,41,43)(H,42,46)/t32-,33-,34-/m1/s1"	CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@H](CC(=O)N[C@H](CC(=O)OC)COCC1=CC=CC=C1)COCC2=CC=CC=C2)COCC3=CC=CC=C3	NNXBGONTNMPWBR-CKOYEXALSA-N
DG59595	"(2S,6S,10S)-4,8,12-Trioxo-1,5,9-triazacyclododecane-2,6,10-trispropionic acid tribenzyl ester"	403123	"NSC717710; CHEMBL1973233; NSC-717710; NCI60_040602; (2S,6S,10S)-4,8,12-Trioxo-1,5,9-triazacyclododecane-2,6,10-trispropionic acid tribenzyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717710	.	.	.	.	699.8	C39H45N3O9	166	991	3	51	3	9	18	"InChI=1S/C39H45N3O9/c43-34-22-31(16-19-37(46)49-25-28-10-4-1-5-11-28)40-35(44)23-32(17-20-38(47)50-26-29-12-6-2-7-13-29)42-36(45)24-33(41-34)18-21-39(48)51-27-30-14-8-3-9-15-30/h1-15,31-33H,16-27H2,(H,40,44)(H,41,43)(H,42,45)/t31-,32-,33-/m0/s1"	C1[C@@H](NC(=O)C[C@@H](NC(=O)C[C@@H](NC1=O)CCC(=O)OCC2=CC=CC=C2)CCC(=O)OCC3=CC=CC=C3)CCC(=O)OCC4=CC=CC=C4	CXJVOQBTVNBPRQ-ZDCRTTOTSA-N
DG59596	"2-[1,3-Bis(4-chlorophenyl)-3-oxopropyl]sulfanylacetic acid"	403129	NSC717766; CHEMBL1976048; NSC-717766; NCI60_040605	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717766	.	.	.	.	369.3	C17H14Cl2O3S	79.7	403	4.6	23	1	4	7	"InChI=1S/C17H14Cl2O3S/c18-13-5-1-11(2-6-13)15(20)9-16(23-10-17(21)22)12-3-7-14(19)8-4-12/h1-8,16H,9-10H2,(H,21,22)"	C1=CC(=CC=C1C(CC(=O)C2=CC=C(C=C2)Cl)SCC(=O)O)Cl	AUWASCFGQNGISC-UHFFFAOYSA-N
DG59597	"3-[1,3-Bis(4-chlorophenyl)-3-oxopropyl]sulfanylpropanamide"	403131	NSC717768; CHEMBL2001647; NSC-717768; NCI60_040607	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717768	.	.	.	.	382.3	C18H17Cl2NO2S	85.5	419	3.8	24	1	3	8	"InChI=1S/C18H17Cl2NO2S/c19-14-5-1-12(2-6-14)16(22)11-17(24-10-9-18(21)23)13-3-7-15(20)8-4-13/h1-8,17H,9-11H2,(H2,21,23)"	C1=CC(=CC=C1C(CC(=O)C2=CC=C(C=C2)Cl)SCCC(=O)N)Cl	QKWABMPJCWMHRK-UHFFFAOYSA-N
DG59598	2-(2-Hydroxy-1-phenylindol-3-yl)indol-3-one	403161	NSC717812; CHEMBL1989710; NSC-717812; NCI60_040616	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717812	.	.	.	.	338.4	C22H14N2O2	54.6	583	4.3	26	1	3	2	"InChI=1S/C22H14N2O2/c25-21-15-10-4-6-12-17(15)23-20(21)19-16-11-5-7-13-18(16)24(22(19)26)14-8-2-1-3-9-14/h1-13,26H"	C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C2O)C4=NC5=CC=CC=C5C4=O	CCSRIMOXXXGPEB-UHFFFAOYSA-N
DG59599	(3Z)-5-fluoro-3-(3-oxoindolin-2-ylidene)indolin-2-one	403163	"CHEMBL1077286; 251903-00-1; (Z)-5'-Fluoro-[2,3'-biindolinylidene]-2',3-dione; (3Z)-5-fluoro-3-(3-oxoindolin-2-ylidene)indolin-2-one; NSC717814; CHEMBL367345; SCHEMBL3848509; SCHEMBL21480103; A05-A4B1-I; BDBM50313616; NSC-717814; NCI60_040618; 2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one; 5''-Fluoro-1H,1''H-[2,3'']biindolylidene-3,2''-dione; 5-Fluoro-3-(3-oxo-1,3-dihydro-2H-indol-2-ylidene)-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717814	.	.	.	.	280.25	C16H9FN2O2	65.4	481	2.8	21	2	4	1	"InChI=1S/C16H9FN2O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)14-15(20)9-3-1-2-4-11(9)18-14/h1-7,19,21H"	C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)F)O	FYLWBNLJDXFSNQ-UHFFFAOYSA-N
DG59600	(3Z)-5-chloro-3-(3-oxoindolin-2-ylidene)indolin-2-one	403164	"CHEMBL1084939; NSC717815; CHEMBL367113; SCHEMBL3851461; SCHEMBL15165816; A05-A5B1-I; BDBM50313613; NSC-717815; NCI60_040619; (3Z)-5-chloro-3-(3-oxoindolin-2-ylidene)indolin-2-one; 5''-Chloro-1H,1''H-[2,3'']biindolylidene-3,2''-dione; 5-Chloro-3-(3-oxo-1,3-dihydro-2H-indol-2-ylidene)-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717815	.	.	.	.	296.71	C16H9ClN2O2	65.4	481	3.4	21	2	3	1	"InChI=1S/C16H9ClN2O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)14-15(20)9-3-1-2-4-11(9)18-14/h1-7,19,21H"	C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)Cl)O	RUTNUZIYAWTMEA-UHFFFAOYSA-N
DG59601	"(2Z)-5'-Bromo-2,3'-biindole-2',3(1H,1'H)-dione ammoniate"	403165	"(2Z)-5'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE AMMONIATE; CHEMBL1231469; UNM-0000305770; 5-Bromoindirubin; CHEMBL173682; SCHEMBL12589678; BDBM54680; cid_5287845; (3Z)-5-bromo-3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one; BDBM50142632; NSC717817; DB07493; NSC-717817; NCI60_040621; (3Z)-5-bromo-3-(3-ketoindolin-2-ylidene)oxindole; Q27096713; (2Z)-5'-bromo-2,3'-biindole-2',3(1H,1'H)-dione; (3Z)-5-bromo-3-(3-oxoindolin-2-ylidene)indolin-2-one; (2Z)-2-(5-Bromo-2-oxoindoline-3-ylidene)indoline-3-one; (3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylidene)-1H-indol-2-one; 5-Bromo-3-(3-oxo-1,3-dihydro-2H-indol-2-ylidene)-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717817	.	.	.	.	341.16	C16H9BrN2O2	65.4	481	3.4	21	2	3	1	"InChI=1S/C16H9BrN2O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)14-15(20)9-3-1-2-4-11(9)18-14/h1-7,19,21H"	C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)Br)O	XMPHNZMDLSUDQI-UHFFFAOYSA-N
DG59602	5-bromo-2-(2-hydroxy-1H-indol-3-yl)indol-3-one	403166	NSC717818; CHEMBL173690; SCHEMBL3848773; CHEMBL1830062; A05-A1B2-I; NSC-717818; NCI60_040622	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717818	.	.	.	.	341.16	C16H9BrN2O2	65.4	481	3.4	21	2	3	1	"InChI=1S/C16H9BrN2O2/c17-8-5-6-12-10(7-8)15(20)14(18-12)13-9-3-1-2-4-11(9)19-16(13)21/h1-7,19,21H"	C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=C(C3=O)C=C(C=C4)Br	PTZNOHFUDZSWGX-UHFFFAOYSA-N
DG59603	5-bromo-2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one	403167	NSC717819; CHEMBL176676; CHEMBL1966883; SCHEMBL15165815; NSC-717819; NCI60_040623	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717819	.	.	.	.	420.05	C16H8Br2N2O2	65.4	512	4.1	22	2	3	1	"InChI=1S/C16H8Br2N2O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)14-15(21)10-6-8(18)2-4-12(10)19-14/h1-6,20,22H"	C1=CC2=C(C=C1Br)C(=C(N2)O)C3=NC4=C(C3=O)C=C(C=C4)Br	NRFIAFHOBIQDRE-UHFFFAOYSA-N
DG59604	2-hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide	403169	NSC717822; CHEMBL1996079; NSC-717822; NCI60_040626	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717822	.	.	.	.	355.4	C17H13N3O4S	120	687	1.7	25	3	6	3	"InChI=1S/C17H13N3O4S/c1-18-25(23,24)9-6-7-13-11(8-9)14(17(22)20-13)15-16(21)10-4-2-3-5-12(10)19-15/h2-8,18,20,22H,1H3"	CNS(=O)(=O)C1=CC2=C(C=C1)NC(=C2C3=NC4=CC=CC=C4C3=O)O	IXJRAMGISJGVKL-UHFFFAOYSA-N
DG59605	"Indirubin derivative, 8"	403170	"NSC717823; Indirubin derivative, 8; CHEMBL2000667; BDBM84535; NSC-717823; NCI60_040627"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717823	.	.	.	.	369.4	C18H15N3O4S	111	714	1.9	26	2	6	3	"InChI=1S/C18H15N3O4S/c1-21(2)26(24,25)10-7-8-14-12(9-10)15(18(23)20-14)16-17(22)11-5-3-4-6-13(11)19-16/h3-9,20,23H,1-2H3"	CN(C)S(=O)(=O)C1=CC2=C(C=C1)NC(=C2C3=NC4=CC=CC=C4C3=O)O	FFOHNHCDXGKZPF-UHFFFAOYSA-N
DG59606	"Indirubin derivative, 33"	403171	"NSC717824; Indirubin derivative, 33; CHEMBL1990691; BDBM84537; NCI60_040628"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717824	.	.	.	.	385.4	C18H15N3O5S	140	719	1	27	4	7	5	"InChI=1S/C18H15N3O5S/c22-8-7-19-27(25,26)10-5-6-14-12(9-10)15(18(24)21-14)16-17(23)11-3-1-2-4-13(11)20-16/h1-6,9,19,21-22,24H,7-8H2"	C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)S(=O)(=O)NCCO)O	MYDHBJOCPAYEFO-UHFFFAOYSA-N
DG59607	"2-hydroxy-N,N-bis(2-hydroxyethyl)-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide"	403172	NSC717825; CHEMBL1976908; NSC-717825; NCI60_040629	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717825	.	.	.	.	429.4	C20H19N3O6S	152	776	0.5	30	4	8	7	"InChI=1S/C20H19N3O6S/c24-9-7-23(8-10-25)30(28,29)12-5-6-16-14(11-12)17(20(27)22-16)18-19(26)13-3-1-2-4-15(13)21-18/h1-6,11,22,24-25,27H,7-10H2"	C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)S(=O)(=O)N(CCO)CCO)O	RYSSXUJNLOUNMH-UHFFFAOYSA-N
DG59608	2-(5-ethyl-2-hydroxy-1H-indol-3-yl)indol-3-one	403173	NSC717826; CHEMBL1980404; NSC-717826; NCI60_040630	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717826	.	.	.	.	290.3	C18H14N2O2	65.4	490	3.5	22	2	3	2	"InChI=1S/C18H14N2O2/c1-2-10-7-8-14-12(9-10)15(18(22)20-14)16-17(21)11-5-3-4-6-13(11)19-16/h3-9,20,22H,2H2,1H3"	CCC1=CC2=C(C=C1)NC(=C2C3=NC4=CC=CC=C4C3=O)O	ZLCKEXXQMNVOOF-UHFFFAOYSA-N
DG59609	2-(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)indol-3-one	403174	NSC717827; CHEMBL2003361; NSC-717827; NCI60_040631	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717827	.	.	.	.	304.3	C19H16N2O2	65.4	516	3.9	23	2	3	2	"InChI=1S/C19H16N2O2/c1-10(2)11-7-8-15-13(9-11)16(19(23)21-15)17-18(22)12-5-3-4-6-14(12)20-17/h3-10,21,23H,1-2H3"	CC(C)C1=CC2=C(C=C1)NC(=C2C3=NC4=CC=CC=C4C3=O)O	DLVGCKBWPUCTRQ-UHFFFAOYSA-N
DG59610	2-[2-hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetic acid	403175	NSC717828; CHEMBL1986018; NSC-717828; NCI60_040632	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717828	.	.	.	.	320.3	C18H12N2O4	103	575	2.2	24	3	5	3	"InChI=1S/C18H12N2O4/c21-14(22)8-9-5-6-13-11(7-9)15(18(24)20-13)16-17(23)10-3-1-2-4-12(10)19-16/h1-7,20,24H,8H2,(H,21,22)"	C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)CC(=O)O)O	QHSMPUSHIPJPCX-UHFFFAOYSA-N
DG59611	5-iodo-Indirubin-3'-monoxime	403176	"5-iodo-Indirubin-3'-monoxime; CHEMBL337300; 331467-03-9; K00192; CHEMBL411645; SCHEMBL3854117; SCHEMBL16985020; HMS3229H03; BDBM50005298; HSCI1_000149; NSC717830; NSC-717830; NCI60_040634; HY-111930; CS-0094095; 5-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol; (3Z)-3-[(3E)-3-hydroxyiminoindolin-2-ylidene]-5-iodo-indolin-2-one; 3-[3-(Hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-5-iodo-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717830	.	.	.	.	403.17	C16H10IN3O2	81.2	438	3.8	22	3	3	1	"InChI=1S/C16H10IN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18-19,21H"	C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=C(C=C4)I)O)N=O	WCCYEJYTLNWYCC-UHFFFAOYSA-N
DG59612	5-ethyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol	403177	NSC717831; CHEMBL1984200; CHEMBL4212264; NSC-717831; NCI60_040635	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717831	.	.	.	.	305.3	C18H15N3O2	81.2	446	4	23	3	3	2	"InChI=1S/C18H15N3O2/c1-2-10-7-8-14-12(9-10)15(18(22)20-14)17-16(21-23)11-5-3-4-6-13(11)19-17/h3-9,19-20,22H,2H2,1H3"	CCC1=CC2=C(C=C1)NC(=C2C3=C(C4=CC=CC=C4N3)N=O)O	DREYLTBUOXSPHC-UHFFFAOYSA-N
DG59613	3-(3-nitroso-1H-indol-2-yl)-5-propan-2-yl-1H-indol-2-ol	403178	NSC717832; CHEMBL1965540; CHEMBL4205017; NSC-717832; NCI60_040636	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717832	.	.	.	.	319.4	C19H17N3O2	81.2	472	4.3	24	3	3	2	"InChI=1S/C19H17N3O2/c1-10(2)11-7-8-15-13(9-11)16(19(23)21-15)18-17(22-24)12-5-3-4-6-14(12)20-18/h3-10,20-21,23H,1-2H3"	CC(C)C1=CC2=C(C=C1)NC(=C2C3=C(C4=CC=CC=C4N3)N=O)O	GEKVTOGDSXKZDW-UHFFFAOYSA-N
DG59614	"N-[4-Pyrrolizino-6-chloro-7-(benzylamino)pteridine-2-yl]-1,2-ethanediamine"	403193	"CHEMBL143876; NSC717847; BDBM50471938; NSC-717847; NCI60_040651; N-[4-Pyrrolizino-6-chloro-7-(benzylamino)pteridine-2-yl]-1,2-ethanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717847	.	.	.	.	398.9	C19H23ClN8	105	471	2.9	28	3	8	7	"InChI=1S/C19H23ClN8/c20-15-17(23-12-13-6-2-1-3-7-13)25-16-14(24-15)18(28-10-4-5-11-28)27-19(26-16)22-9-8-21/h1-3,6-7H,4-5,8-12,21H2,(H2,22,23,25,26,27)"	C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)NCCN	GSQNRAJKXMJSAD-UHFFFAOYSA-N
DG59615	"7-Pteridinamine, 6-methyl-N-(phenylmethyl)-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-"	403197	"NSC717851; CHEMBL1965220; NSC-717851; NCI60_040655; 7-Pteridinamine, 6-methyl-N-(phenylmethyl)-2-(1-piperazinyl)- 4-(1-pyrrolidinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717851	.	.	.	.	404.5	C22H28N8	82.1	529	2.8	30	2	8	5	"InChI=1S/C22H28N8/c1-16-19(24-15-17-7-3-2-4-8-17)26-20-18(25-16)21(29-11-5-6-12-29)28-22(27-20)30-13-9-23-10-14-30/h2-4,7-8,23H,5-6,9-15H2,1H3,(H,24,26,27,28)"	CC1=C(N=C2C(=N1)C(=NC(=N2)N3CCNCC3)N4CCCC4)NCC5=CC=CC=C5	BTNWDRQAIZDSCJ-UHFFFAOYSA-N
DG59616	2-[4-[7-(Benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]acetamide	403200	NSC717855; CHEMBL1971545; NSC-717855; NCI60_040659	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717855	.	.	.	.	482	C23H28ClN9O	116	667	2.8	34	2	9	7	"InChI=1S/C23H28ClN9O/c24-19-21(26-14-16-6-2-1-3-7-16)28-20-18(27-19)22(32-8-4-5-9-32)30-23(29-20)33-12-10-31(11-13-33)15-17(25)34/h1-3,6-7H,4-5,8-15H2,(H2,25,34)(H,26,28,29,30)"	C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCN(CC5)CC(=O)N	VIBUXZUSJCKGQQ-UHFFFAOYSA-N
DG59617	"5-chloro-2-ethyl-4H-pyrido[3,2-g]quinoxalin-3-one"	403219	"NSC717878; 5-chloro-2-ethyl-4H-pyrido[3,2-g]quinoxalin-3-one; CHEMBL1940468; NSC-717878; NCI60_040671; 5-Chloro-2-ethylpyrido[2,3-g]quinoxaline-3(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717878	.	.	.	.	259.69	C13H10ClN3O	54.4	384	2.1	18	1	3	1	"InChI=1S/C13H10ClN3O/c1-2-8-13(18)17-12-9(16-8)6-7-4-3-5-15-11(7)10(12)14/h3-6H,2H2,1H3,(H,17,18)"	CCC1=NC2=C(C(=C3C(=C2)C=CC=N3)Cl)NC1=O	PEOKNYMWBYXUBA-UHFFFAOYSA-N
DG59618	"4-Amino-14-nitro-6-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),4,12,14-pentaene-5-carbonitrile"	403235	NSC717894; CHEMBL1997703; NSC-717894; NCI60_040677	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717894	.	.	.	.	359.4	C21H17N3O3	105	721	4	27	1	5	1	"InChI=1S/C21H17N3O3/c22-12-18-19(14-5-2-1-3-6-14)16-8-4-7-13-9-10-15(24(25)26)11-17(13)20(16)27-21(18)23/h1-3,5-6,9-11,19H,4,7-8,23H2"	C1CC2=C(C=C(C=C2)[N+](=O)[O-])C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=CC=C4	PRCKAOQISITRQL-UHFFFAOYSA-N
DG59619	"14-Nitro-4-oxo-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carbonitrile"	403236	NSC717895; CHEMBL1991964; NSC-717895; NCI60_040678	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717895	.	.	.	.	357.4	C21H15N3O3	98.7	761	3.2	27	1	4	1	"InChI=1S/C21H15N3O3/c22-12-18-19(14-5-2-1-3-6-14)16-8-4-7-13-9-10-15(24(26)27)11-17(13)20(16)23-21(18)25/h1-3,5-6,9-11H,4,7-8H2,(H,23,25)"	C1CC2=C(C=C(C=C2)[N+](=O)[O-])C3=C(C1)C(=C(C(=O)N3)C#N)C4=CC=CC=C4	SHRPQGUJIHOZSZ-UHFFFAOYSA-N
DG59620	"4-Amino-6-(4-nitrophenyl)-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),4,11,13-pentaene-5-carbonitrile"	403237	NSC717896; CHEMBL1973767; NSC-717896; NCI60_040679	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717896	.	.	.	.	359.4	C21H17N3O3	105	719	4	27	1	5	1	"InChI=1S/C21H17N3O3/c22-12-18-19(14-8-10-15(11-9-14)24(25)26)17-7-3-5-13-4-1-2-6-16(13)20(17)27-21(18)23/h1-2,4,6,8-11,19H,3,5,7,23H2"	C1CC2=CC=CC=C2C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=C(C=C4)[N+](=O)[O-]	HPGKMOIISNROJG-UHFFFAOYSA-N
DG59621	"6-(4-Nitrophenyl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaene-5-carbonitrile"	403238	NSC717897; CHEMBL1987736; NSC-717897; NCI60_040680	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717897	.	.	.	.	357.4	C21H15N3O3	98.7	759	3.2	27	1	4	1	"InChI=1S/C21H15N3O3/c22-12-18-19(14-8-10-15(11-9-14)24(26)27)17-7-3-5-13-4-1-2-6-16(13)20(17)23-21(18)25/h1-2,4,6,8-11H,3,5,7H2,(H,23,25)"	C1CC2=CC=CC=C2C3=C(C1)C(=C(C(=O)N3)C#N)C4=CC=C(C=C4)[N+](=O)[O-]	MTRQHXFJAFZDNX-UHFFFAOYSA-N
DG59622	"5-(2-Bromophenyl)-13-nitro-4-phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,11,13-tetraene"	403244	NSC717903; CHEMBL1987395; NSC-717903; NCI60_040683	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717903	.	.	.	.	462.3	C24H20BrN3O2	61.4	659	6.5	30	0	4	2	"InChI=1S/C24H20BrN3O2/c25-22-12-5-4-10-19(22)24-20-11-6-7-16-13-14-18(28(29)30)15-21(16)23(20)26-27(24)17-8-2-1-3-9-17/h1-5,8-10,12-15,20,24H,6-7,11H2"	C1CC2C(N(N=C2C3=C(C1)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5Br	XJCLRQALYIQTDK-UHFFFAOYSA-N
DG59623	"N-(5-Isoquinolyl)-7-chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxamide 4,4-dioxide"	403249	"NSC717950; CHEMBL138712; NSC-717950; NCI60_040686; N-(5-Isoquinolyl)-7-chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxamide 4,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717950	.	.	.	.	442.9	C19H11ClN4O3S2	128	748	3.4	29	1	6	2	"InChI=1S/C19H11ClN4O3S2/c20-14-9-16-17(29(26,27)24-7-6-22-19(24)28-16)8-13(14)18(25)23-15-3-1-2-11-10-21-5-4-12(11)15/h1-10H,(H,23,25)"	C1=CC2=C(C=CN=C2)C(=C1)NC(=O)C3=CC4=C(C=C3Cl)SC5=NC=CN5S4(=O)=O	BPBSWQLSCHIIFU-UHFFFAOYSA-N
DG59624	"2-(8-Chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-3-phenylquinazolin-4-one"	403252	"NSC717953; CHEMBL136221; NSC-717953; NCI60_040687; 6-(3-Phenyl-4-oxo-3,4-dihydroquinazoline-2-yl)-7-chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene 4,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717953	.	.	.	.	493	C23H13ClN4O3S2	118	919	4.5	33	0	6	2	"InChI=1S/C23H13ClN4O3S2/c24-17-13-19-20(33(30,31)27-11-10-25-23(27)32-19)12-16(17)21-26-18-9-5-4-8-15(18)22(29)28(21)14-6-2-1-3-7-14/h1-13H"	C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC5=C(C=C4Cl)SC6=NC=CN6S5(=O)=O	DFXHJVORRVSVOW-UHFFFAOYSA-N
DG59625	"2-(8-Chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-4,4-dioxo-5-phenyl-3,4lambda6,1,5-benzoxathiadiazocin-6-one"	403253	"NSC717954; CHEMBL138933; NSC-717954; NCI60_040688; 6-[(9-Phenyl-10-oxo-9,10-dihydro-5,9-diaza-7-oxa-8-thiabenzocyclooctene 8,8-dioxide)-6-yl]-7-chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene 4,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717954	.	.	.	.	573	C23H13ClN4O6S3	170	1150	4.4	37	0	9	2	"InChI=1S/C23H13ClN4O6S3/c24-17-13-19-20(36(30,31)27-11-10-25-23(27)35-19)12-16(17)21-26-18-9-5-4-8-15(18)22(29)28(37(32,33)34-21)14-6-2-1-3-7-14/h1-13H"	C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C(OS2(=O)=O)C4=CC5=C(C=C4Cl)SC6=NC=CN6S5(=O)=O	IRGOTCAVWNXMMS-UHFFFAOYSA-N
DG59626	"N-(2-Anthryl)-7-chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxamide 4,4-dioxide"	403255	"NSC717956; CHEMBL137667; NSC-717956; NCI60_040689; N-(2-Anthryl)-7-chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxamide 4,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717956	.	.	.	.	492	C24H14ClN3O3S2	115	868	5.7	33	1	5	2	"InChI=1S/C24H14ClN3O3S2/c25-20-13-21-22(33(30,31)28-8-7-26-24(28)32-21)12-19(20)23(29)27-18-6-5-16-9-14-3-1-2-4-15(14)10-17(16)11-18/h1-13H,(H,27,29)"	C1=CC=C2C=C3C=C(C=CC3=CC2=C1)NC(=O)C4=CC5=C(C=C4Cl)SC6=NC=CN6S5(=O)=O	PZVCFNYDKQQTKZ-UHFFFAOYSA-N
DG59627	"N-tert-butyl-2-methylsulfanyl-5H-chromeno[4,3-d]pyrimidin-5-amine"	403280	NSC717975; CHEMBL2005492; NSC-717975; NCI60_040692	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717975	.	.	.	.	301.4	C16H19N3OS	72.3	360	2.9	21	1	5	3	"InChI=1S/C16H19N3OS/c1-16(2,3)19-14-11-9-17-15(21-4)18-13(11)10-7-5-6-8-12(10)20-14/h5-9,14,19H,1-4H3"	CC(C)(C)NC1C2=CN=C(N=C2C3=CC=CC=C3O1)SC	TVEWDVMIOOEXGH-UHFFFAOYSA-N
DG59628	"2-Morpholino-5-pyrrolizino-5H-[1]benzopyrano[4,3-d]pyrimidine"	403284	"NSC717979; CHEMBL31710; NSC-717979; NCI60_040694; 2-Morpholino-5-pyrrolizino-5H-[1]benzopyrano[4,3-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717979	.	.	.	.	338.4	C19H22N4O2	50.7	453	2.1	25	0	6	2	"InChI=1S/C19H22N4O2/c1-2-6-16-14(5-1)17-15(18(25-16)22-7-3-4-8-22)13-20-19(21-17)23-9-11-24-12-10-23/h1-2,5-6,13,18H,3-4,7-12H2"	C1CCN(C1)C2C3=CN=C(N=C3C4=CC=CC=C4O2)N5CCOCC5	LMAOUUVQFQUAOU-UHFFFAOYSA-N
DG59629	1-Methyl-1-[(1-hydroxy-4-tert-butylcyclohexyl)methyl]-3-(4-methoxyphenyl)urea	403304	NSC718010; CHEMBL1998814; NSC-718010; NCI60_040698; 1-Methyl-1-[(1-hydroxy-4-tert-butylcyclohexyl)methyl]-3-(4-methoxyphenyl)urea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718010	.	.	.	.	348.5	C20H32N2O3	61.8	431	3.5	25	2	3	5	"InChI=1S/C20H32N2O3/c1-19(2,3)15-10-12-20(24,13-11-15)14-22(4)18(23)21-16-6-8-17(25-5)9-7-16/h6-9,15,24H,10-14H2,1-5H3,(H,21,23)"	CC(C)(C)C1CCC(CC1)(CN(C)C(=O)NC2=CC=C(C=C2)OC)O	JYVLIIFYJWHLFP-UHFFFAOYSA-N
DG59630	"(1R,4R,5S,6R,7R,8R)-5,7-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,9-dioxabicyclo[4.2.1]nonane-4,8-diol"	403306	NSC718012; CHEMBL1971353; NSC-718012; NCI60_040699	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718012	.	.	.	.	492.6	C29H32O7	86.6	644	2.5	36	2	7	10	"InChI=1S/C29H32O7/c30-24-19-35-28-25(31)27(34-18-23-14-8-3-9-15-23)29(36-28,20-32-16-21-10-4-1-5-11-21)26(24)33-17-22-12-6-2-7-13-22/h1-15,24-28,30-31H,16-20H2/t24-,25-,26+,27-,28-,29-/m1/s1"	C1[C@H]([C@@H]([C@@]2([C@@H]([C@H]([C@H](O1)O2)O)OCC3=CC=CC=C3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)O	SRGKOUYLOKUKEC-ULFZGVROSA-N
DG59631	"2-[(Phenylamino)methyl]benzene-1,4-diol"	403336	"NSC718125; 2-[(Phenylamino)methyl]benzene-1,4-diol; CHEMBL1998196; SCHEMBL11981619; NSC-718125; NCI60_040710"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718125	.	.	.	.	215.25	C13H13NO2	52.5	204	2.7	16	3	3	3	"InChI=1S/C13H13NO2/c15-12-6-7-13(16)10(8-12)9-14-11-4-2-1-3-5-11/h1-8,14-16H,9H2"	C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O	ZHXUBXUTTITGJH-UHFFFAOYSA-N
DG59632	"Methyl 5-[2-(2,5-dimethoxyphenyl)ethynyl]-2-methoxybenzoate"	403337	"CHEMBL44053; NSC718126; Methyl 5-[2-(2,5-dimethoxyphenyl)ethynyl]-2-methoxybenzoate; ZINC1661916; BDBM50127062; NSC-718126; NCI60_040711; 5-(2,5-Dimethoxy-phenylethynyl)-2-methoxy-benzoic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718126	.	.	.	.	326.3	C19H18O5	54	477	3.7	24	0	5	7	"InChI=1S/C19H18O5/c1-21-15-8-10-17(22-2)14(12-15)7-5-13-6-9-18(23-3)16(11-13)19(20)24-4/h6,8-12H,1-4H3"	COC1=CC(=C(C=C1)OC)C#CC2=CC(=C(C=C2)OC)C(=O)OC	JKDPIWZNGRWUFU-UHFFFAOYSA-N
DG59633	"5-[N-[(2,5-Dimethoxyphenyl)methyl]amino]-N-(hexyl)salicylamide"	403339	"NSC718129; CHEMBL1975005; NSC-718129; NCI60_040712; 5-[N-[(2,5-Dimethoxyphenyl)methyl]amino]-N-(hexyl)salicylamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718129	.	.	.	.	386.5	C22H30N2O4	79.8	448	5.2	28	3	5	11	"InChI=1S/C22H30N2O4/c1-4-5-6-7-12-23-22(26)19-14-17(8-10-20(19)25)24-15-16-13-18(27-2)9-11-21(16)28-3/h8-11,13-14,24-25H,4-7,12,15H2,1-3H3,(H,23,26)"	CCCCCCNC(=O)C1=C(C=CC(=C1)NCC2=C(C=CC(=C2)OC)OC)O	PQRHOBFXXKAAHE-UHFFFAOYSA-N
DG59634	"2,4-dichloro-N-[4-(3,4,5-trihydroxyphenyl)thiazol-2-yl]benzenesulfonamide"	403345	"NSC718137; CHEMBL1994955; NSC-718137; NCI60_040718; 2,4-dichloro-N-[4-(3,4,5-trihydroxyphenyl)thiazol-2-yl]benzenesulfonamide; N-[4-(3,4,5-Trihydroxyphenyl)-2-thiazolyl]-2,4-dichlorobenzenesulfonamide; 2,4-Dichloro-N-[4-(3,4,5-trihydroxy-phenyl)-thiazol-2-yl]-benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718137	.	.	.	.	433.3	C15H10Cl2N2O5S2	156	581	3.7	26	4	8	4	"InChI=1S/C15H10Cl2N2O5S2/c16-8-1-2-13(9(17)5-8)26(23,24)19-15-18-10(6-25-15)7-3-11(20)14(22)12(21)4-7/h1-6,20-22H,(H,18,19)"	C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NC2=NC(=CS2)C3=CC(=C(C(=C3)O)O)O	BGTOVQYRMXIYEM-UHFFFAOYSA-N
DG59635	"N-[(S)-1-benzofuran-2-yl-(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)formamide"	403352	NSC718144; CHEMBL1966249; NSC-718144; NCI60_040719	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718144	.	.	.	.	373.8	C20H20ClNO4	51.9	440	3.9	26	0	4	7	"InChI=1S/C20H20ClNO4/c1-24-19(25-2)12-22(13-23)20(14-7-9-16(21)10-8-14)18-11-15-5-3-4-6-17(15)26-18/h3-11,13,19-20H,12H2,1-2H3/t20-/m0/s1"	COC(CN(C=O)[C@@H](C1=CC=C(C=C1)Cl)C2=CC3=CC=CC=C3O2)OC	AZYRBWYTIVGKAD-FQEVSTJZSA-N
DG59636	"1,2-Dimethyl-5-phenoxathiin-2-ylpyrrole"	403357	NSC718150; CHEMBL1975496; NSC-718150; NCI60_040722	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718150	.	.	.	.	293.4	C18H15NOS	39.5	376	4.4	21	0	2	1	"InChI=1S/C18H15NOS/c1-12-7-9-14(19(12)2)13-8-10-16-18(11-13)21-17-6-4-3-5-15(17)20-16/h3-11H,1-2H3"	CC1=CC=C(N1C)C2=CC3=C(C=C2)OC4=CC=CC=C4S3	QARGRSMOYNKHCF-UHFFFAOYSA-N
DG59637	3-[(4-Bromophenyl)iminomethyl]-4-hydroxy-5-methoxybenzaldehyde	403367	NSC718160; CHEMBL2001692; NSC-718160; NCI60_040731	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718160	.	.	.	.	334.16	C15H12BrNO3	58.9	342	3	20	1	4	4	"InChI=1S/C15H12BrNO3/c1-20-14-7-10(9-18)6-11(15(14)19)8-17-13-4-2-12(16)3-5-13/h2-9,19H,1H3"	COC1=CC(=CC(=C1O)C=NC2=CC=C(C=C2)Br)C=O	NREJEICTUDYQGR-UHFFFAOYSA-N
DG59638	4-[(2-Hydroxy-3-methoxy-5-formylbenzylidene)amino]benzenesulfonamide	403368	NSC718161; CHEMBL1997371; NSC-718161; NCI60_040732; 4-[(2-Hydroxy-3-methoxy-5-formylbenzylidene)amino]benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718161	.	.	.	.	334.3	C15H14N2O5S	127	523	0.9	23	2	7	5	"InChI=1S/C15H14N2O5S/c1-22-14-7-10(9-18)6-11(15(14)19)8-17-12-2-4-13(5-3-12)23(16,20)21/h2-9,19H,1H3,(H2,16,20,21)"	COC1=CC(=CC(=C1O)C=NC2=CC=C(C=C2)S(=O)(=O)N)C=O	SVLYOGUNQVNAQA-UHFFFAOYSA-N
DG59639	NSC718165	403372	"1-O-tert-butyl 2-O-methyl (2S)-4-[3-methoxy-1-[1-(4-methylphenyl)sulfonylindol-3-yl]-3-oxopropyl]-5-oxopyrrolidine-1,2-dicarboxylate; NSC718165; CHEMBL1993938; NSC-718165; NCI60_040736"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718165	.	.	.	.	598.7	C30H34N2O9S	147	1140	4.2	42	0	9	11	"InChI=1S/C30H34N2O9S/c1-18-11-13-19(14-12-18)42(37,38)31-17-23(20-9-7-8-10-24(20)31)21(16-26(33)39-5)22-15-25(28(35)40-6)32(27(22)34)29(36)41-30(2,3)4/h7-14,17,21-22,25H,15-16H2,1-6H3/t21 ,22 ,25-/m0/s1"	CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(CC(=O)OC)C4C[C@H](N(C4=O)C(=O)OC(C)(C)C)C(=O)OC	FDWNPZKMHNEJLM-OWWUNANSSA-N
DG59640	4-Chloro-N-(5-hydroxycarbamoyl-pentyl)-benzamide	403373	CHEMBL143734; NSC718168; 4-Chloro-N-(5-hydroxycarbamoyl-pentyl)-benzamide; SCHEMBL13039735; ZINC5579677; BDBM50082664; NSC-718168; NCI60_040737; 6-(4-Chlorobenzoylamino)hexanehydroxamic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718168	.	.	.	.	284.74	C13H17ClN2O3	78.4	292	1.7	19	3	3	7	"InChI=1S/C13H17ClN2O3/c14-11-7-5-10(6-8-11)13(18)15-9-3-1-2-4-12(17)16-19/h5-8,19H,1-4,9H2,(H,15,18)(H,16,17)"	C1=CC(=CC=C1C(=O)NCCCCCC(=O)NO)Cl	YYCQNZBMCNSCKG-UHFFFAOYSA-N
DG59641	2-(7-Hydroxycarbamoyl-heptanoylamino)-3-phenyl-propionic acid methyl ester	403374	CHEMBL46941; NSC718170; 2-(7-Hydroxycarbamoyl-heptanoylamino)-3-phenyl-propionic acid methyl ester; SCHEMBL12672489; BDBM50115646; NSC-718170; NCI60_040739; M-232; (S)-2-(7-Hydroxycarbamoyl-heptanoylamino)-3-phenyl-propionic acid methyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718170	.	.	.	.	350.4	C18H26N2O5	105	422	1.4	25	3	5	12	"InChI=1S/C18H26N2O5/c1-25-18(23)15(13-14-9-5-4-6-10-14)19-16(21)11-7-2-3-8-12-17(22)20-24/h4-6,9-10,15,24H,2-3,7-8,11-13H2,1H3,(H,19,21)(H,20,22)/t15-/m0/s1"	COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCCCCCC(=O)NO	AXUYKQYDXYCOFL-HNNXBMFYSA-N
DG59642	"4-(4-Chlorophenyl)imino-1,5-diphenylpyrrolidin-2-one"	403390	NSC718191; CHEMBL1965364; NSC-718191; NCI60_040747	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718191	.	.	.	.	360.8	C22H17ClN2O	32.7	514	5.2	26	0	2	3	"InChI=1S/C22H17ClN2O/c23-17-11-13-18(14-12-17)24-20-15-21(26)25(19-9-5-2-6-10-19)22(20)16-7-3-1-4-8-16/h1-14,22H,15H2"	C1C(=NC2=CC=C(C=C2)Cl)C(N(C1=O)C3=CC=CC=C3)C4=CC=CC=C4	FBCJWMNOBKLUDV-UHFFFAOYSA-N
DG59643	"2-(7,8-Dimethoxyquinolin-5-yl)aniline"	403398	NSC718199; CHEMBL1974801; NSC-718199; NCI60_040749	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718199	.	.	.	.	280.32	C17H16N2O2	57.4	339	3.1	21	1	4	3	"InChI=1S/C17H16N2O2/c1-20-15-10-13(11-6-3-4-8-14(11)18)12-7-5-9-19-16(12)17(15)21-2/h3-10H,18H2,1-2H3"	COC1=C(C2=C(C=CC=N2)C(=C1)C3=CC=CC=C3N)OC	FKNKLZDYUOKWOD-UHFFFAOYSA-N
DG59644	"(4-Chlorobenzo[c][2,7]naphthyridin-5-yl)-(2-chloropyridin-3-yl)methanol"	403411	NSC718212; CHEMBL2003426; NSC-718212; NCI60_040753	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718212	.	.	.	.	356.2	C18H11Cl2N3O	58.9	441	4.1	24	1	4	2	"InChI=1S/C18H11Cl2N3O/c19-17-12(5-3-8-21-17)16(24)15-14-11(7-9-22-18(14)20)10-4-1-2-6-13(10)23-15/h1-9,16,24H"	C1=CC=C2C(=C1)C3=C(C(=N2)C(C4=C(N=CC=C4)Cl)O)C(=NC=C3)Cl	ZGYVIEJKFBVLEH-UHFFFAOYSA-N
DG59645	"2-Methyl-1,3-diphenylpyrrolo[3,4-b]phenazine"	403430	NSC718231; CHEMBL1965610; NSC-718231; NCI60_040754	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718231	.	.	.	.	385.5	C27H19N3	30.7	531	5.9	30	0	2	2	"InChI=1S/C27H19N3/c1-30-26(18-10-4-2-5-11-18)20-16-24-25(29-23-15-9-8-14-22(23)28-24)17-21(20)27(30)19-12-6-3-7-13-19/h2-17H,1H3"	CN1C(=C2C=C3C(=CC2=C1C4=CC=CC=C4)N=C5C=CC=CC5=N3)C6=CC=CC=C6	BLDTUYINCUGWAS-UHFFFAOYSA-N
DG59646	"alpha-(4-Methoxy-6,8-dichloroquinazolin-7-yl)benzyl alcohol"	403435	"NSC718236; CHEMBL1974648; NSC-718236; NCI60_040756; alpha-(4-Methoxy-6,8-dichloroquinazolin-7-yl)benzyl alcohol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718236	.	.	.	.	335.2	C16H12Cl2N2O2	55.2	368	3.9	22	1	4	3	"InChI=1S/C16H12Cl2N2O2/c1-22-16-10-7-11(17)12(13(18)14(10)19-8-20-16)15(21)9-5-3-2-4-6-9/h2-8,15,21H,1H3"	COC1=NC=NC2=C(C(=C(C=C21)Cl)C(C3=CC=CC=C3)O)Cl	RDCCSIXAVAYADF-UHFFFAOYSA-N
DG59647	"[(3S,4S,5R)-3,4,5-tris(phenylmethoxy)-3-(phenylmethoxymethyl)cyclopenten-1-yl]methanol"	403445	NSC718308; CHEMBL1998341; NSC-718308; NCI60_040763	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718308	.	.	.	.	536.7	C35H36O5	57.2	730	4.5	40	1	5	14	"InChI=1S/C35H36O5/c36-22-32-21-35(40-26-31-19-11-4-12-20-31,27-37-23-28-13-5-1-6-14-28)34(39-25-30-17-9-3-10-18-30)33(32)38-24-29-15-7-2-8-16-29/h1-21,33-34,36H,22-27H2/t33-,34+,35+/m1/s1"	C1=CC=C(C=C1)COC[C@]2(C=C([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)CO)OCC5=CC=CC=C5	QLCUNDNHKBYBLE-PLJDCMBSSA-N
DG59648	"3-(5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-yl)benzo[h]chromen-2-one"	403452	NSC718319; CHEMBL2001427; NSC-718319; NCI60_040769	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718319	.	.	.	.	320.4	C18H12N2O2S	67.2	639	3	23	0	4	1	"InChI=1S/C18H12N2O2S/c21-17-14(15-10-23-18-19-7-8-20(15)18)9-12-6-5-11-3-1-2-4-13(11)16(12)22-17/h1-6,9-10H,7-8H2"	C1CN2C(=CSC2=N1)C3=CC4=C(C5=CC=CC=C5C=C4)OC3=O	HVXXGLDQWLGHNF-UHFFFAOYSA-N
DG59649	"2-(imidazo[2,1-b][1,3]thiazol-6-yl)-3H-benzo[f]chromen-3-one"	403456	"NSC718323; CHEMBL1992790; ZINC497591; STK700086; AKOS005607682; MCULE-5377889800; NSC-718323; NCI60_040772; 2-(imidazo[2,1-b][1,3]thiazol-6-yl)-3H-benzo[f]chromen-3-one; 298208-28-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718323	.	.	.	.	318.4	C18H10N2O2S	71.8	537	4.8	23	0	4	1	InChI=1S/C18H10N2O2S/c21-17-14(15-10-20-7-8-23-18(20)19-15)9-13-12-4-2-1-3-11(12)5-6-16(13)22-17/h1-10H	C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=CN5C=CSC5=N4	OTFIBBSPZPBMHB-UHFFFAOYSA-N
DG59650	N-[2-[[(4-chlorobenzoyl)amino]carbamoyl]-4-methylphenyl]adamantane-1-carboxamide	403458	NSC718355; CHEMBL1999087; NSC-718355; NCI60_040774	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718355	.	.	.	.	466	C26H28ClN3O3	87.3	738	5.7	33	3	3	4	"InChI=1S/C26H28ClN3O3/c1-15-2-7-22(28-25(33)26-12-16-9-17(13-26)11-18(10-16)14-26)21(8-15)24(32)30-29-23(31)19-3-5-20(27)6-4-19/h2-8,16-18H,9-14H2,1H3,(H,28,33)(H,29,31)(H,30,32)"	CC1=CC(=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NNC(=O)C5=CC=C(C=C5)Cl	FARNQVMISDXBHT-UHFFFAOYSA-N
DG59651	"N-[4-bromo-2-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide"	403461	NSC718358; CHEMBL1986622; NSC-718358; NCI60_040777	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718358	.	.	.	.	534.4	C22H20BrN3O6S	143	687	4.4	33	3	7	7	"InChI=1S/C22H20BrN3O6S/c1-30-16-9-12(10-17(31-2)19(16)32-3)20(27)25-26-21(28)14-11-13(23)6-7-15(14)24-22(29)18-5-4-8-33-18/h4-11H,1-3H3,(H,24,29)(H,25,27)(H,26,28)"	COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)C2=C(C=CC(=C2)Br)NC(=O)C3=CC=CS3	ZORGSTDLFSPCIU-UHFFFAOYSA-N
DG59652	NSC718368	403469	"6-Butyl-3,9-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium;6-butyl-3,10-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-7-ium;diiodide; NSC718368; CHEMBL1985923; NSC-718368"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718368	.	.	.	.	956.7	C44H54I2N4O4	54.5	946	.	54	0	6	10	"InChI=1S/2C22H27N2O2.2HI/c1-5-6-7-16-12-15-13-17(25-3)8-10-19(15)22-23(2)21-14-18(26-4)9-11-20(21)24(16)22;1-5-6-7-16-12-15-13-17(25-3)8-10-19(15)22-23(2)20-11-9-18(26-4)14-21(20)24(16)22;;/h2*8-11,13-14,16H,5-7,12H2,1-4H3;2*1H/q2*+1;;/p-2"	CCCCC1CC2=C(C=CC(=C2)OC)C3=[N+](C4=C(N13)C=C(C=C4)OC)C.CCCCC1CC2=C(C=CC(=C2)OC)C3=[N+]1C4=C(N3C)C=C(C=C4)OC.[I-].[I-]	YWUUHIBPUPQWKU-UHFFFAOYSA-L
DG59653	NSC718370	403475	"6-Butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-7-ium-3,10-diol;6-butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium-3,9-diol;diiodide; NSC718370; CHEMBL1967838; NSC-718370"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718370	.	.	.	.	900.6	C40H46I2N4O4	98.5	891	.	50	4	6	6	"InChI=1S/2C20H22N2O2.2HI/c1-3-4-5-14-10-13-11-15(23)6-8-17(13)20-21(2)19-12-16(24)7-9-18(19)22(14)20;1-3-4-5-14-10-13-11-15(23)6-8-17(13)20-21(2)18-9-7-16(24)12-19(18)22(14)20;;/h2*6-9,11-12,14,24H,3-5,10H2,1-2H3;2*1H"	CCCCC1CC2=C(C=CC(=C2)O)C3=[N+](C4=C(N13)C=C(C=C4)O)C.CCCCC1CC2=C(C=CC(=C2)O)C3=[N+]1C4=C(N3C)C=C(C=C4)O.[I-].[I-]	LHZRXZPEXYNYDM-UHFFFAOYSA-N
DG59654	NSC718379	403478	"(5aR,8aS,9S)-9-[4-[4-[4-[[(5S,5aS,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]phenyl]anilino]-4-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one; NSC718379; NSC-718379; NCI60_040787"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718379	.	.	.	.	1025.099	C60H52N2O14	191	1970	9.9	76	4	16	12	"InChI=1S/C60H52N2O14/c1-67-46-17-33(18-47(68-2)56(46)63)51-38-22-44-45(74-27-73-44)23-39(38)55(43-26-72-60(66)53(43)51)62-36-15-11-32(12-16-36)30-7-5-29(6-8-30)31-9-13-35(14-10-31)61-54-40-24-50-58(76-28-75-50)52(37(40)21-41-42(54)25-71-59(41)65)34-19-48(69-3)57(64)49(20-34)70-4/h5-20,22-24,41-43,51,53-55,61-64H,21,25-28H2,1-4H3/t41-,42+,43+,51 ,53+,54-,55-/m1/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)C7=CC=C(C=C7)C8=CC=C(C=C8)N[C@H]9[C@H]1COC(=O)[C@@H]1CC1=C(C2=C(C=C91)OCO2)C1=CC(=C(C(=C1)OC)O)OC	RLGVZEQXLOEGTH-KDTKSUNLSA-N
DG59655	NSC718380	403479	"(5aR,8aS,9S)-9-[[7-[[(5S,5aS,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]-9H-fluoren-2-yl]amino]-4-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one; NSC718380; NSC-718380; NCI60_040788"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718380	.	.	.	.	961	C55H48N2O14	191	1900	8.3	71	4	16	10	"InChI=1S/C55H48N2O14/c1-62-41-12-26(13-42(63-2)51(41)58)46-33-17-39-40(69-22-68-39)18-34(33)50(38-21-67-55(61)48(38)46)57-29-6-8-31-25(11-29)9-24-10-28(5-7-30(24)31)56-49-35-19-45-53(71-23-70-45)47(32(35)16-36-37(49)20-66-54(36)60)27-14-43(64-3)52(59)44(15-27)65-4/h5-8,10-15,17-19,36-38,46,48-50,56-59H,9,16,20-23H2,1-4H3/t36-,37+,38+,46 ,48+,49-,50-/m1/s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC7=C(C=C6)C8=C(C7)C=C(C=C8)N[C@H]9[C@H]1COC(=O)[C@@H]1CC1=C(C2=C(C=C91)OCO2)C1=CC(=C(C(=C1)OC)O)OC	QGNWPDNFBRIEME-QCBTWLFZSA-N
DG59656	"3-[2-Chloro-4-(4-chlorophenoxy)phenyl]-2-[[4-(2,4-dichlorophenoxy)phenoxy]methyl]-4-oxoquinazoline-6-sulfonic acid"	403482	NSC718383; CHEMBL1981004; NSC-718383; NCI60_040790	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718383	.	.	.	.	730.4	C33H20Cl4N2O7S	123	1210	8.4	47	1	8	9	"InChI=1S/C33H20Cl4N2O7S/c34-19-1-4-22(5-2-19)45-24-10-13-30(27(36)16-24)39-32(38-29-12-11-25(47(41,42)43)17-26(29)33(39)40)18-44-21-6-8-23(9-7-21)46-31-14-3-20(35)15-28(31)37/h1-17H,18H2,(H,41,42,43)"	C1=CC(=CC=C1OCC2=NC3=C(C=C(C=C3)S(=O)(=O)O)C(=O)N2C4=C(C=C(C=C4)OC5=CC=C(C=C5)Cl)Cl)OC6=C(C=C(C=C6)Cl)Cl	ZHSJFIJTAOJLDZ-UHFFFAOYSA-N
DG59657	"1-(3-Bromo-2,5-dichloro-6-hydroxyphenyl)-4-(3-bromophenyl)-3-chloroazetidin-2-one"	403484	NSC718385; CHEMBL2005702; NSC-718385; NCI60_040792	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718385	.	.	.	.	500.4	C15H8Br2Cl3NO2	40.5	472	5.5	23	1	2	2	"InChI=1S/C15H8Br2Cl3NO2/c16-7-3-1-2-6(4-7)12-11(20)15(23)21(12)13-10(19)8(17)5-9(18)14(13)22/h1-5,11-12,22H"	C1=CC(=CC(=C1)Br)C2C(C(=O)N2C3=C(C(=CC(=C3Cl)Br)Cl)O)Cl	FWVYSXLAUNTRDQ-UHFFFAOYSA-N
DG59658	"(4S,9S)-11-(4-chlorophenyl)-3,10-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,13,15,17,19-hexaen-11-ol"	403505	NSC718505; CHEMBL339321; NSC-718505; NCI60_040801	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718505	.	.	.	.	388.9	C24H21ClN2O	35.8	645	4.7	28	1	2	1	"InChI=1S/C24H21ClN2O/c25-17-12-10-16(11-13-17)24(28)19-14-9-15-5-1-2-6-18(15)22(19)23-26-20-7-3-4-8-21(20)27(23)24/h1-2,5-6,9-14,20-21,28H,3-4,7-8H2/t20-,21-,24 /m0/s1"	C1CC[C@H]2[C@H](C1)N=C3N2C(C4=C3C5=CC=CC=C5C=C4)(C6=CC=C(C=C6)Cl)O	HXPZZXPNTMVGEC-GAIPOIILSA-N
DG59659	"15-(4-Chlorophenyl)-3,5-dioxa-11,14-diazatetracyclo[7.6.0.0^{2,6}.0^{10,14}]pentadeca-1,6,8,10-tetraen-15-ol"	403507	"CHEMBL415523; NSC718507; BDBM50118264; NSC-718507; NCI60_040803; 15-(4-chlorophenyl)-3,5-dioxa-11,14-diazatetracyclo[7.6.0.0^{2,6}.0^{10,14}]pentadeca-1,6,8,10-tetraen-15-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718507	.	.	.	.	328.7	C17H13ClN2O3	54.3	522	2	23	1	4	1	"InChI=1S/C17H13ClN2O3/c18-11-3-1-10(2-4-11)17(21)14-12(16-19-7-8-20(16)17)5-6-13-15(14)23-9-22-13/h1-6,21H,7-9H2"	C1CN2C(=N1)C3=C(C2(C4=CC=C(C=C4)Cl)O)C5=C(C=C3)OCO5	HKALZDMFTTZJLT-UHFFFAOYSA-N
DG59660	"20-(4-Chlorophenyl)-16,19-diazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-1(14),2,4,6,8,10,12,15-octaen-20-ol"	403509	NSC718509; CHEMBL132941; NSC-718509; NCI60_040805	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718509	.	.	.	.	384.9	C24H17ClN2O	35.8	645	4.7	28	1	2	1	"InChI=1S/C24H17ClN2O/c25-16-11-9-15(10-12-16)24(28)22-20-8-4-2-6-18(20)17-5-1-3-7-19(17)21(22)23-26-13-14-27(23)24/h1-12,28H,13-14H2"	C1CN2C(=N1)C3=C(C2(C4=CC=C(C=C4)Cl)O)C5=CC=CC=C5C6=CC=CC=C63	BNGGAXDPIFCFSB-UHFFFAOYSA-N
DG59661	"20-Naphthalen-2-yl-16,19-diazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-1(14),2,4,6,8,10,12,15-octaen-20-ol"	403510	GNF-PF-2664; NSC718510; CHEMBL133276; NSC-718510; NCI60_040807	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718510	.	.	.	.	400.5	C28H20N2O	35.8	735	5.3	31	1	2	1	"InChI=1S/C28H20N2O/c31-28(20-14-13-18-7-1-2-8-19(18)17-20)26-24-12-6-4-10-22(24)21-9-3-5-11-23(21)25(26)27-29-15-16-30(27)28/h1-14,17,31H,15-16H2"	C1CN2C(=N1)C3=C(C2(C4=CC5=CC=CC=C5C=C4)O)C6=CC=CC=C6C7=CC=CC=C73	VEOHXIUSARYQDP-UHFFFAOYSA-N
DG59662	"5-(4-Chlorophenyl)-8-(pyrrolidin-1-ylmethyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol"	403512	NSC718512; CHEMBL1978904; NSC-718512; NCI60_040808	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718512	.	.	.	.	367.9	C21H22ClN3O	39.1	556	2.5	26	1	3	3	"InChI=1S/C21H22ClN3O/c22-17-6-4-16(5-7-17)21(26)19-8-3-15(14-24-10-1-2-11-24)13-18(19)20-23-9-12-25(20)21/h3-8,13,26H,1-2,9-12,14H2"	C1CCN(C1)CC2=CC3=C(C=C2)C(N4C3=NCC4)(C5=CC=C(C=C5)Cl)O	GVDCZRJSTYCQKW-UHFFFAOYSA-N
DG59663	"(4S,9S)-2-(4-chlorophenyl)-3,10-diazapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(20),12,14,16,18-pentaen-11-one"	403517	NSC718518; CHEMBL1991693; NSC-718518; NCI60_040812	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718518	.	.	.	.	388.9	C24H21ClN2O	32.299	632	5.1	28	1	2	1	"InChI=1S/C24H21ClN2O/c25-18-11-9-17(10-12-18)24-20-14-16-6-2-1-5-15(16)13-19(20)23(28)27(24)22-8-4-3-7-21(22)26-24/h1-2,5-6,9-14,21-22,26H,3-4,7-8H2/t21-,22-,24 /m0/s1"	C1CC[C@H]2[C@H](C1)NC3(N2C(=O)C4=CC5=CC=CC=C5C=C43)C6=CC=C(C=C6)Cl	PYNVTLXVUKBJLL-AJVCAZFQSA-N
DG59664	"1,6-Dimethyl-2-phenyl-4,7-dioxo-4,7-dihydro-1H-indole-3-carboxylic acid ethyl ester"	403520	"NSC718530; CHEMBL1979002; NSC-718530; NCI60_040814; 1,6-Dimethyl-2-phenyl-4,7-dioxo-4,7-dihydro-1H-indole-3-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718530	.	.	.	.	323.3	C19H17NO4	65.4	576	2.8	24	0	4	4	"InChI=1S/C19H17NO4/c1-4-24-19(23)15-14-13(21)10-11(2)18(22)17(14)20(3)16(15)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3"	CCOC(=O)C1=C(N(C2=C1C(=O)C=C(C2=O)C)C)C3=CC=CC=C3	SOZLPEQZIFICGF-UHFFFAOYSA-N
DG59665	beta-(2-Aminophenyl)-3'-(trifluoromethyl)propiolophenone	403529	NSC718545; CHEMBL2002655; NSC-718545; NCI60_040816; beta-(2-Aminophenyl)-3'-(trifluoromethyl)propiolophenone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718545	.	.	.	.	289.25	C16H10F3NO	43.1	445	4.1	21	1	5	2	"InChI=1S/C16H10F3NO/c17-16(18,19)13-6-3-5-12(10-13)15(21)9-8-11-4-1-2-7-14(11)20/h1-7,10H,20H2"	C1=CC=C(C(=C1)C#CC(=O)C2=CC(=CC=C2)C(F)(F)F)N	FPMQUVBYTGQFPJ-UHFFFAOYSA-N
DG59666	"3,4-Dimethyl-8,10-di-tert-butyl-1-thiaspiro[5.5]undeca-3,7,10-trien-9-one"	403532	"NSC718548; CHEMBL1994249; NSC-718548; NCI60_040818; 3,4-Dimethyl-8,10-di-tert-butyl-1-thiaspiro[5.5]undeca-3,7,10-trien-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718548	.	.	.	.	318.5	C20H30OS	42.4	554	5	22	0	2	2	"InChI=1S/C20H30OS/c1-13-9-20(22-12-14(13)2)10-15(18(3,4)5)17(21)16(11-20)19(6,7)8/h10-11H,9,12H2,1-8H3"	CC1=C(CSC2(C1)C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C	VPKRLALJBOZADQ-UHFFFAOYSA-N
DG59667	Nonafluoro-1-butanesulfonic acid 2-methoxy-5-formylphenyl ester	403537	NSC718553; CHEMBL1969213; NSC-718553; NCI60_040819; Nonafluoro-1-butanesulfonic acid 2-methoxy-5-formylphenyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718553	.	.	.	.	434.23	C12H7F9O5S	78	641	4.1	27	0	14	7	"InChI=1S/C12H7F9O5S/c1-25-7-3-2-6(5-22)4-8(7)26-27(23,24)12(20,21)10(15,16)9(13,14)11(17,18)19/h2-5H,1H3"	COC1=C(C=C(C=C1)C=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	VJBUQKJYJNVDGG-UHFFFAOYSA-N
DG59668	"2,3,5,6-Tetrahydro-3,5-dioxo-2,6-dihexyl-4H-1,2,6-thiadiazine 1,1-dioxide"	403539	"NSC718555; CHEMBL1997714; NSC-718555; NCI60_040820; 2,3,5,6-Tetrahydro-3,5-dioxo-2,6-dihexyl-4H-1,2,6-thiadiazine 1,1-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718555	.	.	.	.	332.5	C15H28N2O4S	83.1	434	3.6	22	0	4	10	"InChI=1S/C15H28N2O4S/c1-3-5-7-9-11-16-14(18)13-15(19)17(22(16,20)21)12-10-8-6-4-2/h3-13H2,1-2H3"	CCCCCCN1C(=O)CC(=O)N(S1(=O)=O)CCCCCC	JKQRSYNXIKTECI-UHFFFAOYSA-N
DG59669	"N,N,2-trimethyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-amine"	403544	NSC718564; CHEMBL294335; NSC-718564; NCI60_040823	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718564	.	.	.	.	274.4	C19H18N2	19	380	4.9	21	1	1	1	"InChI=1S/C19H18N2/c1-12-13-8-6-9-15(13)18(21(2)3)11-16-14-7-4-5-10-17(14)20-19(12)16/h4-11,20H,1-3H3"	CC1=C2C=CC=C2C(=CC3=C1NC4=CC=CC=C43)N(C)C	XDGBBAWNKTVSFH-UHFFFAOYSA-N
DG59670	"(4-Chlorophenyl)-(2-methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-17-yl)methanone"	403545	NSC718565; CHEMBL2005563; NSC-718565; NCI60_040824	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718565	.	.	.	.	369.8	C24H16ClNO	22	557	6.5	27	0	1	1	"InChI=1S/C24H16ClNO/c1-15-19-7-4-5-16(19)11-14-21-20-6-2-3-8-22(20)26(23(15)21)24(27)17-9-12-18(25)13-10-17/h2-14H,1H3"	CC1=C2C(=CC=C3C1=CC=C3)C4=CC=CC=C4N2C(=O)C5=CC=C(C=C5)Cl	KBJAZERJSFJSSO-UHFFFAOYSA-N
DG59671	"6-Methylcyclopenta[d]naphtho[1,2-b]pyran-2,11-diol"	403547	"NSC718567; CHEMBL2001671; NSC-718567; NCI60_040826; 6-Methylcyclopenta[d]naphtho[1,2-b]pyran-2,11-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718567	.	.	.	.	264.27	C17H12O3	53.6	371	4.3	20	2	3	0	"InChI=1S/C17H12O3/c1-9-11-3-2-4-12(11)15-8-16(19)14-7-10(18)5-6-13(14)17(15)20-9/h2-8,18-19H,1H3"	CC1=C2C=CC=C2C3=CC(=C4C=C(C=CC4=C3O1)O)O	SVMFVMNFRYHQRJ-UHFFFAOYSA-N
DG59672	"Tert-butyl 3-(1-benzyl-7-hydroxy-2,6-dioxo-1,7-diazaspiro[4.4]nonan-9-yl)indole-1-carboxylate"	403551	NSC718571; CHEMBL1981179; NSC-718571; NCI60_040829	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718571	.	.	.	.	475.5	C27H29N3O5	92.1	850	3	35	1	5	5	"InChI=1S/C27H29N3O5/c1-26(2,3)35-25(33)28-16-20(19-11-7-8-12-22(19)28)21-17-30(34)24(32)27(21)14-13-23(31)29(27)15-18-9-5-4-6-10-18/h4-12,16,21,34H,13-15,17H2,1-3H3"	CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3CN(C(=O)C34CCC(=O)N4CC5=CC=CC=C5)O	DNTZMDPLXXVPOG-UHFFFAOYSA-N
DG59673	N-[2-[2-(2H-benzo[g]indazole-3-carbonylamino)ethyl-methylamino]ethyl]-2H-benzo[g]indazole-3-carboxamide	403554	NSC718578; CHEMBL2002307; NSC-718578; NCI60_040831	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718578	.	.	.	.	505.6	C29H27N7O2	119	776	4.6	38	4	5	8	"InChI=1S/C29H27N7O2/c1-36(16-14-30-28(37)26-22-12-10-18-6-2-4-8-20(18)24(22)32-34-26)17-15-31-29(38)27-23-13-11-19-7-3-5-9-21(19)25(23)33-35-27/h2-13H,14-17H2,1H3,(H,30,37)(H,31,38)(H,32,34)(H,33,35)"	CN(CCNC(=O)C1=C2C=CC3=CC=CC=C3C2=NN1)CCNC(=O)C4=C5C=CC6=CC=CC=C6C5=NN4	VINRVJKYGRYUIL-UHFFFAOYSA-N
DG59674	2-methyl-N-[3-[methyl-[3-[(2-methylbenzo[g]indazole-3-carbonyl)amino]propyl]amino]propyl]benzo[g]indazole-3-carboxamide	403555	NSC718579; CHEMBL1998569; NSC-718579; NCI60_040832	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718579	.	.	.	.	561.7	C33H35N7O2	97.1	862	5.4	42	2	5	10	"InChI=1S/C33H35N7O2/c1-38(20-8-18-34-32(41)30-26-16-14-22-10-4-6-12-24(22)28(26)36-39(30)2)21-9-19-35-33(42)31-27-17-15-23-11-5-7-13-25(23)29(27)37-40(31)3/h4-7,10-17H,8-9,18-21H2,1-3H3,(H,34,41)(H,35,42)"	CN1C(=C2C=CC3=CC=CC=C3C2=N1)C(=O)NCCCN(C)CCCNC(=O)C4=C5C=CC6=CC=CC=C6C5=NN4C	QNFKOUCJVRKGQN-UHFFFAOYSA-N
DG59675	"N-ethyl-4,4-dimethyl-2-(3-methylphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-amine"	403563	NSC718587; CHEMBL1968248; NSC-718587; NCI60_040837	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718587	.	.	.	.	331.4	C23H25NO	21.3	475	4.9	25	1	2	3	"InChI=1S/C23H25NO/c1-5-24-23(18-12-6-9-16(2)15-18)20-14-8-11-17-10-7-13-19(21(17)20)22(3,4)25-23/h6-15,24H,5H2,1-4H3"	CCNC1(C2=CC=CC3=C2C(=CC=C3)C(O1)(C)C)C4=CC=CC(=C4)C	RIDRBCLMWKJHJX-UHFFFAOYSA-N
DG59676	"1-[4,4-Dimethyl-2-(4-methylphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]pyrrolidine"	403564	NSC718588; CHEMBL1989901; NSC-718588; NCI60_040838	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718588	.	.	.	.	357.5	C25H27NO	12.5	530	5.5	27	0	2	2	"InChI=1S/C25H27NO/c1-18-12-14-20(15-13-18)25(26-16-4-5-17-26)22-11-7-9-19-8-6-10-21(23(19)22)24(2,3)27-25/h6-15H,4-5,16-17H2,1-3H3"	CC1=CC=C(C=C1)C2(C3=CC=CC4=C3C(=CC=C4)C(O2)(C)C)N5CCCC5	RGTNXPYETOQWBX-UHFFFAOYSA-N
DG59677	"tert-butyl (4aS,6aS,9bS)-6a-methyl-3,7-dipyridin-3-yl-4a,5,6,9,9a,9b-hexahydro-1H-cyclopenta[f]quinoline-4-carboxylate"	403567	NSC718591; CHEMBL2005371; NSC-718591; NCI60_040840	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718591	.	.	.	.	443.6	C28H33N3O2	55.3	813	4.8	33	0	4	4	"InChI=1S/C28H33N3O2/c1-27(2,3)33-26(32)31-24(20-8-6-16-30-18-20)12-9-21-23-11-10-22(19-7-5-15-29-17-19)28(23,4)14-13-25(21)31/h5-8,10,12,15-18,21,23,25H,9,11,13-14H2,1-4H3/t21-,23 ,25-,28+/m0/s1"	C[C@]12CC[C@H]3[C@H](C1CC=C2C4=CN=CC=C4)CC=C(N3C(=O)OC(C)(C)C)C5=CN=CC=C5	JZPKVAPVFDTOKX-WNLZEKCMSA-N
DG59678	"2-[Bis[2-bromoethyl(methyl)amino]phosphoryloxymethyl]-5-methoxy-1-methylindole-4,7-dione"	403577	NSC718630; CHEMBL117667; SCHEMBL14338758; NSC-718630; NCI60_040844	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718630	.	.	.	.	541.2	C17H24Br2N3O5P	81.1	661	1.7	28	0	7	10	"InChI=1S/C17H24Br2N3O5P/c1-20(7-5-18)28(25,21(2)8-6-19)27-11-12-9-13-16(22(12)3)14(23)10-15(26-4)17(13)24/h9-10H,5-8,11H2,1-4H3"	CN1C(=CC2=C1C(=O)C=C(C2=O)OC)COP(=O)(N(C)CCBr)N(C)CCBr	WBKAOUSYPULUSP-UHFFFAOYSA-N
DG59679	"3-[Bis[2-bromoethyl(methyl)amino]phosphoryloxymethyl]-5-methoxy-1-methylindole-4,7-dione"	403578	NSC718631; CHEMBL118789; SCHEMBL14338754; NSC-718631; NCI60_040845	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718631	.	.	.	.	541.2	C17H24Br2N3O5P	81.1	661	1.7	28	0	7	10	"InChI=1S/C17H24Br2N3O5P/c1-20-10-12(15-16(20)13(23)9-14(26-4)17(15)24)11-27-28(25,21(2)7-5-18)22(3)8-6-19/h9-10H,5-8,11H2,1-4H3"	CN1C=C(C2=C1C(=O)C=C(C2=O)OC)COP(=O)(N(C)CCBr)N(C)CCBr	NQSXPHLHXDBWLU-UHFFFAOYSA-N
DG59680	1-Tosyl-3-[4-(trifluoromethyl)-2-pyridinyl]-5-bromo-1H-indole	403581	NSC718634; CHEMBL358370; NSC-718634; NCI60_040846; 1-Tosyl-3-[4-(trifluoromethyl)-2-pyridinyl]-5-bromo-1H-indole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718634	.	.	.	.	495.3	C21H14BrF3N2O2S	60.3	706	5.8	30	0	6	3	"InChI=1S/C21H14BrF3N2O2S/c1-13-2-5-16(6-3-13)30(28,29)27-12-18(17-11-15(22)4-7-20(17)27)19-10-14(8-9-26-19)21(23,24)25/h2-12H,1H3"	CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Br)C4=NC=CC(=C4)C(F)(F)F	VQUKOOSIUVXOHM-UHFFFAOYSA-N
DG59681	2-(6-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]acetamide	403592	NSC718645; CHEMBL1998574; NSC-718645; NCI60_040853	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718645	.	.	.	.	507.9	C24H15ClFN5O3S	136	872	5.9	35	2	7	5	"InChI=1S/C24H15ClFN5O3S/c25-13-6-8-19-17(10-13)23(34)31(15-4-2-1-3-5-15)24(28-19)35-12-20(32)29-30-21-16-11-14(26)7-9-18(16)27-22(21)33/h1-11,27,33H,12H2"	C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC(=O)N=NC4=C(NC5=C4C=C(C=C5)F)O	GTXLILOAEDNYNZ-UHFFFAOYSA-N
DG59682	"4-Benzylamino-1-(2-hydroxyethoxy)methyl-6-methylthio-1H-pyrazolo[3,4:d]pyrimidine"	403619	"NSC718675; CHEMBL2000991; NSC-718675; NCI60_040876; 4-Benzylamino-1-(2-hydroxyethoxy)methyl-6-methylthio-1H-pyrazolo[3,4:d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718675	.	.	.	.	345.4	C16H19N5O2S	110	372	2	24	2	7	8	"InChI=1S/C16H19N5O2S/c1-24-16-19-14(17-9-12-5-3-2-4-6-12)13-10-18-21(15(13)20-16)11-23-8-7-22/h2-6,10,22H,7-9,11H2,1H3,(H,17,19,20)"	CSC1=NC(=C2C=NN(C2=N1)COCCO)NCC3=CC=CC=C3	OKHZIBFFQPAPMQ-UHFFFAOYSA-N
DG59683	"2-Methoxy-3-[[3-(4-methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]sulfonyl]benzoic acid"	403620	NSC718688; CHEMBL2005235; NSC-718688; NCI60_040877	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718688	.	.	.	.	492.5	C26H24N2O6S	114	909	3.9	35	1	8	6	"InChI=1S/C26H24N2O6S/c1-33-18-13-10-17(11-14-18)24-20-15-12-16-6-3-4-7-19(16)23(20)27-28(24)35(31,32)22-9-5-8-21(26(29)30)25(22)34-2/h3-11,13-14,20,24H,12,15H2,1-2H3,(H,29,30)"	COC1=CC=C(C=C1)C2C3CCC4=CC=CC=C4C3=NN2S(=O)(=O)C5=CC=CC(=C5OC)C(=O)O	YLLOTZQZGMJJGS-UHFFFAOYSA-N
DG59684	"2-(4-Chlorophenyl)sulfonyl-3-(4-methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole"	403622	NSC718690; CHEMBL1979395; NSC-718690; NCI60_040879	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718690	.	.	.	.	453	C24H21ClN2O3S	67.4	766	5.1	31	0	5	4	"InChI=1S/C24H21ClN2O3S/c1-30-19-11-6-17(7-12-19)24-22-15-8-16-4-2-3-5-21(16)23(22)26-27(24)31(28,29)20-13-9-18(25)10-14-20/h2-7,9-14,22,24H,8,15H2,1H3"	COC1=CC=C(C=C1)C2C3CCC4=CC=CC=C4C3=NN2S(=O)(=O)C5=CC=C(C=C5)Cl	ITPGLSWUSZMSSB-UHFFFAOYSA-N
DG59685	"4-(2-chloroquinolin-3-yl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one"	403632	NSC718700; CHEMBL2000066; NSC-718700; NCI60_040885	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718700	.	.	.	.	389.8	C21H16ClN5O	71.8	585	4.1	28	2	3	2	"InChI=1S/C21H16ClN5O/c1-12-17-18(15-11-13-7-5-6-10-16(13)23-19(15)22)24-21(28)25-20(17)27(26-12)14-8-3-2-4-9-14/h2-11,18H,1H3,(H2,24,25,28)"	CC1=NN(C2=C1C(NC(=O)N2)C3=CC4=CC=CC=C4N=C3Cl)C5=CC=CC=C5	HPPCPJTYMWZFMQ-UHFFFAOYSA-N
DG59686	"5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole"	403633	NSC718701; CHEMBL1984213; NSC-718701; NCI60_040886	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718701	.	.	.	.	291.2	C15H12Cl2N2	24.4	337	4.6	19	1	2	2	"InChI=1S/C15H12Cl2N2/c16-12-6-4-10(5-7-12)14-9-15(19-18-14)11-2-1-3-13(17)8-11/h1-8,15,19H,9H2"	C1C(NN=C1C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Cl	TUKNSEQIGURXQP-UHFFFAOYSA-N
DG59687	"2-[5-(3-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol"	403634	NSC718702; CHEMBL1970929; NSC-718702; NCI60_040887	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718702	.	.	.	.	286.75	C16H15ClN2O	44.6	374	4	20	2	3	2	"InChI=1S/C16H15ClN2O/c1-10-5-6-16(20)13(7-10)15-9-14(18-19-15)11-3-2-4-12(17)8-11/h2-8,14,18,20H,9H2,1H3"	CC1=CC(=C(C=C1)O)C2=NNC(C2)C3=CC(=CC=C3)Cl	ZERSIMSEHFTYKI-UHFFFAOYSA-N
DG59688	"1-[3-(3-Chlorophenyl)-5-(2-hydroxy-5-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	403635	NSC718703; CHEMBL1977871; NSC-718703; NCI60_040888	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718703	.	.	.	.	328.8	C18H17ClN2O2	52.9	482	3.3	23	1	3	2	"InChI=1S/C18H17ClN2O2/c1-11-6-7-18(23)15(8-11)16-10-17(21(20-16)12(2)22)13-4-3-5-14(19)9-13/h3-9,17,23H,10H2,1-2H3"	CC1=CC(=C(C=C1)O)C2=NN(C(C2)C3=CC(=CC=C3)Cl)C(=O)C	RKUPKGFKRMZJPM-UHFFFAOYSA-N
DG59689	Ethyl 6-(3-chlorophenyl)-4-(2-hydroxy-5-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate	403639	NSC718707; CHEMBL2003313; NSC-718707; NCI60_040891	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718707	.	.	.	.	384.8	C22H21ClO4	63.6	587	4.6	27	1	4	5	"InChI=1S/C22H21ClO4/c1-3-27-22(26)21-18(14-5-4-6-16(23)10-14)11-15(12-20(21)25)17-9-13(2)7-8-19(17)24/h4-10,12,18,21,24H,3,11H2,1-2H3"	CCOC(=O)C1C(CC(=CC1=O)C2=C(C=CC(=C2)C)O)C3=CC(=CC=C3)Cl	SVNJZZKCTUMZDE-UHFFFAOYSA-N
DG59690	"4-(3-Chlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2,3a,4,5-tetrahydroindazol-3-one"	403641	NSC718709; CHEMBL1976425; NSC-718709; NCI60_040893	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718709	.	.	.	.	352.8	C20H17ClN2O2	61.7	603	3.7	25	2	3	2	"InChI=1S/C20H17ClN2O2/c1-11-5-6-18(24)15(7-11)13-9-16(12-3-2-4-14(21)8-12)19-17(10-13)22-23-20(19)25/h2-8,10,16,19,24H,9H2,1H3,(H,23,25)"	CC1=CC(=C(C=C1)O)C2=CC3=NNC(=O)C3C(C2)C4=CC(=CC=C4)Cl	MVTXBXOUQKHDCY-UHFFFAOYSA-N
DG59691	"Quinoxaline, 2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-"	403642	"NSC718710; CHEMBL2007468; DTXSID10328040; Quinoxaline, 2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-; NSC-718710; 649739-77-5; NCI60_040894"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718710	.	.	.	.	365.3	C21H14Cl2N2	25.8	424	6.1	25	0	2	3	"InChI=1S/C21H14Cl2N2/c22-16-10-8-14(9-11-16)12-20-21(15-4-3-5-17(23)13-15)25-19-7-2-1-6-18(19)24-20/h1-11,13H,12H2"	C1=CC=C2C(=C1)N=C(C(=N2)C3=CC(=CC=C3)Cl)CC4=CC=C(C=C4)Cl	NIUZKKOEEBSSMF-UHFFFAOYSA-N
DG59692	"2-[2-amino-6-(3-chlorophenyl)-6H-1,3-thiazin-4-yl]-4-methylphenol"	403645	NSC718713; CHEMBL1972867; NSC-718713; NCI60_040897	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718713	.	.	.	.	330.8	C17H15ClN2OS	83.9	468	4.1	22	2	3	2	"InChI=1S/C17H15ClN2OS/c1-10-5-6-15(21)13(7-10)14-9-16(22-17(19)20-14)11-3-2-4-12(18)8-11/h2-9,16,21H,1H3,(H2,19,20)"	CC1=CC(=C(C=C1)O)C2=CC(SC(=N2)N)C3=CC(=CC=C3)Cl	NXGOEMTUVIHSQX-UHFFFAOYSA-N
DG59693	2-Amino-4-(3-bromophenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile	403648	NSC718716; CHEMBL1993557; NSC-718716; NCI60_040900	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718716	.	.	.	.	384.7	C18H11BrClN3	62.7	443	5.4	23	1	3	2	"InChI=1S/C18H11BrClN3/c19-13-3-1-2-12(8-13)15-9-17(23-18(22)16(15)10-21)11-4-6-14(20)7-5-11/h1-9H,(H2,22,23)"	C1=CC(=CC(=C1)Br)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)Cl	RSHHUCBDVMEWED-UHFFFAOYSA-N
DG59694	2-Amino-4-(3-bromophenyl)-6-(2-hydroxy-5-methylphenyl)pyridine-3-carbonitrile	403649	NSC718717; CHEMBL2005811; NSC-718717; NCI60_040901	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718717	.	.	.	.	380.2	C19H14BrN3O	82.9	479	4.8	24	2	4	2	"InChI=1S/C19H14BrN3O/c1-11-5-6-18(24)15(7-11)17-9-14(16(10-21)19(22)23-17)12-3-2-4-13(20)8-12/h2-9,24H,1H3,(H2,22,23)"	CC1=CC(=C(C=C1)O)C2=NC(=C(C(=C2)C3=CC(=CC=C3)Br)C#N)N	RQJBOJZLTLILPA-UHFFFAOYSA-N
DG59695	Ethyl 6-(3-bromophenyl)-4-(2-hydroxy-5-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate	403650	NSC718718; CHEMBL2004412; NSC-718718; NCI60_040902	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718718	.	.	.	.	429.3	C22H21BrO4	63.6	587	4.7	27	1	4	5	"InChI=1S/C22H21BrO4/c1-3-27-22(26)21-18(14-5-4-6-16(23)10-14)11-15(12-20(21)25)17-9-13(2)7-8-19(17)24/h4-10,12,18,21,24H,3,11H2,1-2H3"	CCOC(=O)C1C(CC(=CC1=O)C2=C(C=CC(=C2)C)O)C3=CC(=CC=C3)Br	RDHSVIVMQUOVDX-UHFFFAOYSA-N
DG59696	"4-(3-Bromophenyl)-6-(4-chlorophenyl)-2,3a,4,5-tetrahydroindazol-3-one"	403651	NSC718719; CHEMBL1997772; NSC-718719; NCI60_040903	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718719	.	.	.	.	401.7	C19H14BrClN2O	41.5	568	4.4	24	1	2	2	"InChI=1S/C19H14BrClN2O/c20-14-3-1-2-12(8-14)16-9-13(11-4-6-15(21)7-5-11)10-17-18(16)19(24)23-22-17/h1-8,10,16,18H,9H2,(H,23,24)"	C1C(C2C(=NNC2=O)C=C1C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Br	VILJUNOYFPAACM-UHFFFAOYSA-N
DG59697	2-(3-Bromophenyl)-3-[(4-chlorophenyl)methyl]quinoxaline	403653	NSC718721; CHEMBL2004296; NSC-718721; NCI60_040905	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718721	.	.	.	.	409.7	C21H14BrClN2	25.8	426	6.1	25	0	2	3	"InChI=1S/C21H14BrClN2/c22-16-5-3-4-15(13-16)21-20(12-14-8-10-17(23)11-9-14)24-18-6-1-2-7-19(18)25-21/h1-11,13H,12H2"	C1=CC=C2C(=C1)N=C(C(=N2)C3=CC(=CC=C3)Br)CC4=CC=C(C=C4)Cl	BMLMZAZFQSPAPA-UHFFFAOYSA-N
DG59698	"5-(2,5-Dimethoxy-phenylethynyl)-N-hexyl-2-methoxy-benzamide"	403659	"CHEMBL44895; NSC718727; BDBM50127060; NSC-718727; NCI60_040910; 5-(2,5-Dimethoxy-phenylethynyl)-N-hexyl-2-methoxy-benzamide; 5-[2-(2,5-Dimethoxyphenyl)ethynyl]-2-methoxyphenyl-N-hexylcarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718727	.	.	.	.	395.5	C24H29NO4	56.8	552	5.5	29	1	4	11	"InChI=1S/C24H29NO4/c1-5-6-7-8-15-25-24(26)21-16-18(10-13-23(21)29-4)9-11-19-17-20(27-2)12-14-22(19)28-3/h10,12-14,16-17H,5-8,15H2,1-4H3,(H,25,26)"	CCCCCCNC(=O)C1=C(C=CC(=C1)C#CC2=C(C=CC(=C2)OC)OC)OC	DXQMNKPAGXVWAH-UHFFFAOYSA-N
DG59699	"5-(2,5-Dimethoxy-phenylethynyl)-N-[2-(4-fluoro-phenyl)-ethyl]-2-methoxy-benzamide"	403660	"CHEMBL45276; NSC718728; BDBM50127072; NSC-718728; NCI60_040911; 5-(2,5-Dimethoxy-phenylethynyl)-N-[2-(4-fluoro-phenyl)-ethyl]-2-methoxy-benzamide; 5-[2-(2,5-Dimethoxyphenyl)ethynyl]-2-methoxyphenyl-N- [2-(4-fluorophenyl)ethyl]carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718728	.	.	.	.	433.5	C26H24FNO4	56.8	651	5.2	32	1	5	9	"InChI=1S/C26H24FNO4/c1-30-22-11-13-24(31-2)20(17-22)8-4-19-7-12-25(32-3)23(16-19)26(29)28-15-14-18-5-9-21(27)10-6-18/h5-7,9-13,16-17H,14-15H2,1-3H3,(H,28,29)"	COC1=CC(=C(C=C1)OC)C#CC2=CC(=C(C=C2)OC)C(=O)NCCC3=CC=C(C=C3)F	CUCVNURZABUGNU-UHFFFAOYSA-N
DG59700	"2-((3,5-di-tert-Butyl-4-hydroxyphenyl)-methylene)-4-cyclopentene-1,3-dione"	403661	"TX-1123; 157397-06-3; 2-((3,5-di-tert-Butyl-4-hydroxyphenyl)-methylene)-4-cyclopentene-1,3-dione; 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]cyclopent-4-ene-1,3-dione; CHEMBL258726; NSC718729; SCHEMBL16971041; BDBM50375666; AKOS025294616; NSC-718729; NCI60_040912; J-009415; [2-((3,5-di-tert-Butyl-4-hydroxyphenyl)-methylene)-4-cyclopentene-1,3-dione]; Cyclopent-4-ene-1, 2-[[4-hydroxy-3,5-bis(1,1-dimethylethyl)phenyl]methyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718729	.	.	.	.	312.4	C20H24O3	54.4	510	5.1	23	1	3	3	"InChI=1S/C20H24O3/c1-19(2,3)14-10-12(9-13-16(21)7-8-17(13)22)11-15(18(14)23)20(4,5)6/h7-11,23H,1-6H3"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)C=CC2=O	VUEUMQIBGLKJJD-UHFFFAOYSA-N
DG59701	"2-[(3,5-Ditert-butyl-4-methoxyphenyl)methyl]cyclopent-4-ene-1,3-dione"	403662	NSC718730; CHEMBL2002990; NSC-718730; NCI60_040913	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718730	.	.	.	.	328.4	C21H28O3	43.4	476	5.3	24	0	3	5	"InChI=1S/C21H28O3/c1-20(2,3)15-11-13(10-14-17(22)8-9-18(14)23)12-16(19(15)24-7)21(4,5)6/h8-9,11-12,14H,10H2,1-7H3"	CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)CC2C(=O)C=CC2=O	UGAMDWXUVRANHN-UHFFFAOYSA-N
DG59702	"2-[(3,5-Ditert-butyl-4-hydroxyphenyl)methyl]indene-1,3-dione"	403663	NSC718731; CHEMBL1993353; NSC-718731; NCI60_040914	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718731	.	.	.	.	364.5	C24H28O3	54.4	531	6.4	27	1	3	4	"InChI=1S/C24H28O3/c1-23(2,3)18-12-14(13-19(22(18)27)24(4,5)6)11-17-20(25)15-9-7-8-10-16(15)21(17)26/h7-10,12-13,17,27H,11H2,1-6H3"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2C(=O)C3=CC=CC=C3C2=O	UANSDJOURCHRJR-UHFFFAOYSA-N
DG59703	NSC718742	403667	S-[2-[2-[2-[2-[2-[(2-benzoylsulfanylacetyl)amino]-5-methoxyphenyl]sulfanylethyldisulfanyl]ethylsulfanyl]-4-methoxyanilino]-2-oxoethyl] benzenecarbothioate; NSC718742; CHEMBL1971631; NSC-718742; NCI60_040918	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718742	.	.	.	.	785.1	C36H36N2O6S6	263	967	7.9	50	2	12	21	"InChI=1S/C36H36N2O6S6/c1-43-27-13-15-29(37-33(39)23-47-35(41)25-9-5-3-6-10-25)31(21-27)45-17-19-49-50-20-18-46-32-22-28(44-2)14-16-30(32)38-34(40)24-48-36(42)26-11-7-4-8-12-26/h3-16,21-22H,17-20,23-24H2,1-2H3,(H,37,39)(H,38,40)"	COC1=CC(=C(C=C1)NC(=O)CSC(=O)C2=CC=CC=C2)SCCSSCCSC3=C(C=CC(=C3)OC)NC(=O)CSC(=O)C4=CC=CC=C4	LSYSTZFQOSIIIY-UHFFFAOYSA-N
DG59704	"N-(4-Chlorophenyl)-N'-(2,2-dimethylpropyl)propane-1,3-diamine"	403668	"NSC718777; CHEMBL1995764; NSC-718777; NCI60_040919; N-(4-Chlorophenyl)-N'-(2,2-dimethylpropyl)propane-1,3-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718777	.	.	.	.	254.8	C14H23ClN2	24.1	193	4.7	17	2	2	7	"InChI=1S/C14H23ClN2/c1-14(2,3)11-16-9-4-10-17-13-7-5-12(15)6-8-13/h5-8,16-17H,4,9-11H2,1-3H3"	CC(C)(C)CNCCCNC1=CC=C(C=C1)Cl	JPONUXJOLTUVAB-UHFFFAOYSA-N
DG59705	CF3CH2-Val-Phe-Unk	403672	NSC718800; CHEMBL1998595; NSC-718800; NCI60_040921	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718800	.	.	.	.	518.6	C27H33F3N4O3	95.2	730	5	37	4	7	12	"InChI=1S/C27H33F3N4O3/c1-17(2)24(33-16-27(28,29)30)26(36)34-23(13-18-7-5-4-6-8-18)25(35)31-12-11-19-15-32-22-10-9-20(37-3)14-21(19)22/h4-10,14-15,17,23-24,32-33H,11-13,16H2,1-3H3,(H,31,35)(H,34,36)/t23-,24-/m0/s1"	CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCC2=CNC3=C2C=C(C=C3)OC)NCC(F)(F)F	ADYDKTLWARMKIO-ZEQRLZLVSA-N
DG59706	NSC718811	403687	"(6aS)-3-[3-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione; NSC718811; CHEMBL342861; SCHEMBL14366835; NSC-718811; NCI60_040927; 2,2',3,3',5,5',10,11,11abeta,11a'beta-Decahydro-7,7'-dimethoxy-[8,8'-[1,3-propanediylbis(oxy)]bis(1H-pyrrolo[2,1-c][1,4]benzodiazepine)]-5,5',11-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718811	.	.	.	.	548.6	C29H32N4O7	119	993	2	40	1	8	8	"InChI=1S/C29H32N4O7/c1-37-23-12-18-20(30-16-17-6-3-8-32(17)28(18)35)14-25(23)39-10-5-11-40-26-15-21-19(13-24(26)38-2)29(36)33-9-4-7-22(33)27(34)31-21/h12-17,22H,3-11H2,1-2H3,(H,31,34)/t17-,22-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C(=O)N2)OCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC	VKDJCDSWBKPZPK-JTSKRJEESA-N
DG59707	NSC718812	403688	"(6aS)-3-[4-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione; NSC718812; CHEMBL436067; NSC-718812; NCI60_040928; 2,2',3,3',5,5',10,11,11abeta,11a'beta-Decahydro-7,7'-dimethoxy-[8,8'-[1,4-butanediylbis(oxy)]bis(1H-pyrrolo[2,1-c][1,4]benzodiazepine)]-5,5',11-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718812	.	.	.	.	562.6	C30H34N4O7	119	1010	2.4	41	1	8	9	"InChI=1S/C30H34N4O7/c1-38-24-13-19-21(31-17-18-7-5-9-33(18)29(19)36)15-26(24)40-11-3-4-12-41-27-16-22-20(14-25(27)39-2)30(37)34-10-6-8-23(34)28(35)32-22/h13-18,23H,3-12H2,1-2H3,(H,32,35)/t18-,23-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C(=O)N2)OCCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC	AZDJLTGMHTXPDJ-MBSDFSHPSA-N
DG59708	NSC718813	403689	"(6aS)-3-[5-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione; NSC718813; CHEMBL357270; SCHEMBL13239114; NSC-718813; NCI60_040929; 2,2',3,3',5,5',10,11,11abeta,11a'beta-Decahydro-7,7'-dimethoxy-[8,8'-[1,5-pentanediylbis(oxy)]bis(1H-pyrrolo[2,1-c][1,4]benzodiazepine)]-5,5',11-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718813	.	.	.	.	576.6	C31H36N4O7	119	1030	2.8	42	1	8	10	"InChI=1S/C31H36N4O7/c1-39-25-14-20-22(32-18-19-8-6-10-34(19)30(20)37)16-27(25)41-12-4-3-5-13-42-28-17-23-21(15-26(28)40-2)31(38)35-11-7-9-24(35)29(36)33-23/h14-19,24H,3-13H2,1-2H3,(H,33,36)/t19-,24-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C(=O)N2)OCCCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC	RBMDXEFPCHVSOR-CYFREDJKSA-N
DG59709	"12,20-Dioxa-1,4,28,31,36-pentazapentacyclo[29.2.2.114,18.06,11.021,26]hexatriaconta-4,6,8,10,14(36),15,17,21,23,25,27-undecaene"	403699	NSC718890; CHEMBL1995529; NSC-718890; NCI60_040935	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718890	.	.	.	.	483.6	C29H33N5O2	62.6	639	2.2	36	0	7	0	"InChI=1S/C29H33N5O2/c1-3-10-28-24(6-1)20-30-12-14-33-16-18-34(19-17-33)15-13-31-21-25-7-2-4-11-29(25)36-23-27-9-5-8-26(32-27)22-35-28/h1-11,20-21H,12-19,22-23H2"	C1CN2CCN(CCN=CC3=CC=CC=C3OCC4=CC=CC(=N4)COC5=CC=CC=C5C=N1)CC2	OLMRENGDWLYZHI-UHFFFAOYSA-N
DG59710	"3,14,25-Trioxa-11,17,31-triazatetracyclo[25.3.1.04,9.019,24]hentriaconta-1(31),4,6,8,10,17,19,21,23,27,29-undecaene"	403700	"NSC718891; CHEMBL1996213; NSC-718891; NCI60_040936; 2,13,24-Trioxa-10,16-diaza-9,10,6,17-dieno-2,9,17,24(1,2)diphenyl-1,25(2,6)pyridinophane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718891	.	.	.	.	415.5	C25H25N3O3	65.3	524	2.2	31	0	6	0	"InChI=1S/C25H25N3O3/c1-3-10-24-20(6-1)16-26-12-14-29-15-13-27-17-21-7-2-4-11-25(21)31-19-23-9-5-8-22(28-23)18-30-24/h1-11,16-17H,12-15,18-19H2"	C1COCCN=CC2=CC=CC=C2OCC3=CC=CC(=N3)COC4=CC=CC=C4C=N1	DSHVOUCGIOLILK-UHFFFAOYSA-N
DG59711	NSC718901	403710	4-[[4-[[4-[[6-[[4-[[4-[(4-Aminophenyl)methyl]phenyl]iminomethyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]phenyl]methyl]aniline; NSC718901; CHEMBL1975176; NSC-718901; NCI60_040939	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718901	.	.	.	.	707.9	C47H41N5O2	108	1000	8.9	54	2	7	14	"InChI=1S/C47H41N5O2/c48-40-16-4-34(5-17-40)28-36-8-20-42(21-9-36)50-30-38-12-24-46(25-13-38)53-32-44-2-1-3-45(52-44)33-54-47-26-14-39(15-27-47)31-51-43-22-10-37(11-23-43)29-35-6-18-41(49)19-7-35/h1-27,30-31H,28-29,32-33,48-49H2"	C1=CC(=NC(=C1)COC2=CC=C(C=C2)C=NC3=CC=C(C=C3)CC4=CC=C(C=C4)N)COC5=CC=C(C=C5)C=NC6=CC=C(C=C6)CC7=CC=C(C=C7)N	AUJBIYBRVXHNCJ-UHFFFAOYSA-N
DG59712	"N,N'-Bis(2-hydroxy-5-methoxybenzylidene)propane-1,3-diamine"	403716	"N,N'-Bis(2-hydroxy-5-methoxybenzylidene)propane-1,3-diamine; NSC718907; CHEMBL1970154; ZINC1662740; AKOS002133973; MCULE-1483471832; NSC-718907; NCI60_040940; SR-01000077734; SR-01000077734-1; 2-{[(3-{[(E)-1-(2-hydroxy-5-methoxyphenyl)methylidene]amino}propyl)imino]methyl}-4-methoxyphenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718907	.	.	.	.	342.4	C19H22N2O4	83.6	392	2.4	25	2	6	8	"InChI=1S/C19H22N2O4/c1-24-16-4-6-18(22)14(10-16)12-20-8-3-9-21-13-15-11-17(25-2)5-7-19(15)23/h4-7,10-13,22-23H,3,8-9H2,1-2H3"	COC1=CC(=C(C=C1)O)C=NCCCN=CC2=C(C=CC(=C2)OC)O	IWNBWLOIIGKRFE-UHFFFAOYSA-N
DG59713	"3'a,5'-Dimethyl-3'-methylidene-1'-trimethylsilylspiro[cyclopropane-1,4'-pentalene]-2'-one"	403718	NSC718919; CHEMBL1981137; NSC-718919; NCI60_040942	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718919	.	.	.	.	258.43	C16H22OSi	17.1	552	.	18	0	1	1	"InChI=1S/C16H22OSi/c1-10-9-12-14(18(4,5)6)13(17)11(2)15(12,3)16(10)7-8-16/h9H,2,7-8H2,1,3-6H3"	CC1=CC2=C(C(=O)C(=C)C2(C13CC3)C)[Si](C)(C)C	OKTPDGYISLYJGZ-UHFFFAOYSA-N
DG59714	NSC719121	403719	"2-[8-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]octyl]benzo[de]isoquinoline-1,3-dione; NSC719121; CHEMBL2001549; NSC-719121; NCI60_040944; 2-[8-[[(11aS)-5-Oxo-7-methoxy-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-8-yl]oxy]octyl]-2,3-dihydro-1H-benzo[de]isoquinoline-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719121	.	.	.	.	553.6	C33H35N3O5	88.5	956	5.5	41	0	6	11	"InChI=1S/C33H35N3O5/c1-40-28-19-26-27(34-21-23-13-10-17-35(23)33(26)39)20-29(28)41-18-7-5-3-2-4-6-16-36-31(37)24-14-8-11-22-12-9-15-25(30(22)24)32(36)38/h8-9,11-12,14-15,19-21,23H,2-7,10,13,16-18H2,1H3/t23-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OCCCCCCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O	VDZXPJZMHRNYNA-QHCPKHFHSA-N
DG59715	NSC719122	403720	"2-[10-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]decyl]benzo[de]isoquinoline-1,3-dione; NSC719122; CHEMBL1977016; NSC-719122; NCI60_040945; 2-[10-[[(11aS)-5-Oxo-7-methoxy-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-8-yl]oxy]decyl]-2,3-dihydro-1H-benzo[de]isoquinoline-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719122	.	.	.	.	581.7	C35H39N3O5	88.5	987	6.6	43	0	6	13	"InChI=1S/C35H39N3O5/c1-42-30-21-28-29(36-23-25-15-12-19-37(25)35(28)41)22-31(30)43-20-9-7-5-3-2-4-6-8-18-38-33(39)26-16-10-13-24-14-11-17-27(32(24)26)34(38)40/h10-11,13-14,16-17,21-23,25H,2-9,12,15,18-20H2,1H3/t25-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OCCCCCCCCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O	WWZXQUXNWHZLEH-VWLOTQADSA-N
DG59716	NSC719151	403741	"4-chloro-N-[[5-[[3-chloro-4-[[5-[(4-chloroanilino)methyl]-1,3,4-oxadiazol-2-yl]methoxy]phenoxy]methyl]-1,3,4-oxadiazol-2-yl]methyl]aniline; NSC719151; CHEMBL1989031; NSC-719151; NCI60_040949"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719151	.	.	.	.	587.8	C26H21Cl3N6O4	120	719	5.5	39	2	10	12	"InChI=1S/C26H21Cl3N6O4/c27-16-1-5-18(6-2-16)30-12-23-32-34-25(38-23)14-36-20-9-10-22(21(29)11-20)37-15-26-35-33-24(39-26)13-31-19-7-3-17(28)4-8-19/h1-11,30-31H,12-15H2"	C1=CC(=CC=C1NCC2=NN=C(O2)COC3=CC(=C(C=C3)OCC4=NN=C(O4)CNC5=CC=C(C=C5)Cl)Cl)Cl	GOOBLNIBQYYRPP-UHFFFAOYSA-N
DG59717	NSC719156	403746	"2-[3-chloro-4-[2-[2-[4-(2,4-dichloro-5-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-yl]hydrazinyl]-2-oxoethoxy]phenoxy]-N'-[4-(2,4-dichloro-5-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-yl]acetohydrazide; NSC719156; CHEMBL2006446; NSC-719156; NCI60_040952"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719156	.	.	.	.	784.9	C28H21Cl5F2N6O4S2	176	1170	7.6	47	4	10	12	"InChI=1S/C28H21Cl5F2N6O4S2/c29-15-6-17(31)20(34)4-13(15)22-10-46-27(36-22)40-38-25(42)8-44-12-1-2-24(19(33)3-12)45-9-26(43)39-41-28-37-23(11-47-28)14-5-21(35)18(32)7-16(14)30/h1-7,22-23H,8-11H2,(H,36,40)(H,37,41)(H,38,42)(H,39,43)"	C1C(N=C(S1)NNC(=O)COC2=CC(=C(C=C2)OCC(=O)NNC3=NC(CS3)C4=CC(=C(C=C4Cl)Cl)F)Cl)C5=CC(=C(C=C5Cl)Cl)F	WDEMIGLEHMFABR-UHFFFAOYSA-N
DG59718	"Benzoic acid,5-dihydroxyphenyl)methyl]amino]-, 1-adamantaneethyl ester"	403758	"MLS002702488; NSC719177; CHEMBL1729345; SCHEMBL16279523; NSC-719177; NCI60_040958; SMR001566049; Benzoic acid,5-dihydroxyphenyl)methyl]amino]-, 1-adamantaneethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719177	.	.	.	.	421.5	C26H31NO4	78.8	588	6.4	31	3	5	8	"InChI=1S/C26H31NO4/c28-23-5-6-24(29)21(12-23)16-27-22-3-1-20(2-4-22)25(30)31-8-7-26-13-17-9-18(14-26)11-19(10-17)15-26/h1-6,12,17-19,27-29H,7-11,13-16H2"	C1C2CC3CC1CC(C2)(C3)CCOC(=O)C4=CC=C(C=C4)NCC5=C(C=CC(=C5)O)O	PRCFXVMFLBVZKE-UHFFFAOYSA-N
DG59719	"5-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine"	403762	NSC719181; CHEMBL1990449; NSC-719181; NCI60_040961	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719181	.	.	.	.	389.7	C18H11Cl3N4	43.1	460	6.1	25	0	3	2	"InChI=1S/C18H11Cl3N4/c1-10-23-24-18-22-16(14-7-6-13(20)8-15(14)21)9-17(25(10)18)11-2-4-12(19)5-3-11/h2-9H,1H3"	CC1=NN=C2N1C(=CC(=N2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl	AWOPAMHXVNLDPR-UHFFFAOYSA-N
DG59720	"3-Chloro-4-(4-chlorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]azetidin-2-one"	403763	NSC719182; CHEMBL1978499; NSC-719182; NCI60_040962	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719182	.	.	.	.	439.4	C23H16Cl2N2OS	61.4	606	6.4	29	0	3	3	"InChI=1S/C23H16Cl2N2OS/c1-13-2-11-18-19(12-13)29-22(26-18)15-5-9-17(10-6-15)27-21(20(25)23(27)28)14-3-7-16(24)8-4-14/h2-12,20-21H,1H3"	CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(C(C4=O)Cl)C5=CC=C(C=C5)Cl	RUOMUWZHOSWMCW-UHFFFAOYSA-N
DG59721	"N-[2-(acridin-9-ylamino)ethyl]-3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propanamide"	403766	NSC719210; CHEMBL1984142; NSC-719210; NCI60_040964	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719210	.	.	.	.	527.8	C32H41N3O2Si	63.2	734	.	38	2	4	10	"InChI=1S/C32H41N3O2Si/c1-22-20-24(21-23(2)31(22)37-38(6,7)32(3,4)5)16-17-29(36)33-18-19-34-30-25-12-8-10-14-27(25)35-28-15-11-9-13-26(28)30/h8-15,20-21H,16-19H2,1-7H3,(H,33,36)(H,34,35)"	CC1=CC(=CC(=C1O[Si](C)(C)C(C)(C)C)C)CCC(=O)NCCNC2=C3C=CC=CC3=NC4=CC=CC=C42	GMNIUCYLNVVSJS-UHFFFAOYSA-N
DG59722	Ma'iliohydrin	403768	ma'iliohydrin; CHEMBL1969004; NSC719212; NSC-719212; NCI60_040966	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719212	.	.	.	.	394.14	C15H22Br2O2	40.5	418	3.2	19	2	2	1	"InChI=1S/C15H22Br2O2/c1-10-8-11(18)12(17)13(2,3)15(10)6-4-14(19,9-16)5-7-15/h4,6,11-12,18-19H,1,5,7-9H2,2-3H3/t11-,12-,14 ,15-/m1/s1"	CC1([C@@H]([C@@H](CC(=C)[C@@]12CCC(C=C2)(CBr)O)O)Br)C	SGUDETSEOVUZCJ-MYIUUGPWSA-N
DG59723	6a-Hydroxysalvinolone	403771	NSC719244; 6a-hydroxysalvinolone; CHEMBL2006259; NSC-719244; NCI60_040969	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719244	.	.	.	.	316.4	C20H28O3	60.7	507	5.2	23	3	3	1	"InChI=1S/C20H28O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9,11,21-23H,6-8,10H2,1-5H3/t20-/m1/s1"	CC(C)C1=C(C(=C2C(=C1)CC(=C3[C@@]2(CCCC3(C)C)C)O)O)O	BFXSCDFJDLQVRW-HXUWFJFHSA-N
DG59724	"3,4,5-trimethoxy-N-(4H-pyrrolo[2,1-c][1,4]benzoxazin-1-ylmethyl)aniline"	403776	NSC719249; CHEMBL1991649; NSC-719249; NCI60_040970	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719249	.	.	.	.	366.4	C21H22N2O4	53.9	465	3.3	27	1	5	6	"InChI=1S/C21H22N2O4/c1-24-19-10-14(11-20(25-2)21(19)26-3)22-12-15-8-9-16-13-27-18-7-5-4-6-17(18)23(15)16/h4-11,22H,12-13H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)NCC2=CC=C3N2C4=CC=CC=C4OC3	ABSFLCYOGKBJHW-UHFFFAOYSA-N
DG59725	"ethyl N-(thiophen-2-ylmethyl)-N-(3,4,5-trimethoxyphenyl)carbamate"	403779	NSC719252; CHEMBL1970145; NSC-719252; NCI60_040972	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719252	.	.	.	.	351.4	C17H21NO5S	85.5	383	3.2	24	0	6	8	"InChI=1S/C17H21NO5S/c1-5-23-17(19)18(11-13-7-6-8-24-13)12-9-14(20-2)16(22-4)15(10-12)21-3/h6-10H,5,11H2,1-4H3"	CCOC(=O)N(CC1=CC=CS1)C2=CC(=C(C(=C2)OC)OC)OC	ASLOELGYAKDINH-UHFFFAOYSA-N
DG59726	NSC719263	403786	"[(1S,12S,13R,16R,17S,18R)-17-[[(12S,13R,18R)-17-acetyl-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-7-yl]methyl]-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-16-yl] acetate; NSC719263; NSC-719263; NCI60_040973"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719263	.	.	.	.	746.9	C45H54N4O6	87.4	1560	4.9	55	0	8	6	"InChI=1S/C45H54N4O6/c1-23(50)32-20-53-21-33-27(32)15-40-44-31(18-37(33)46(40)4)29-13-25(42(52-8)19-39(29)49(44)7)14-35-28-16-41-43-30(26-11-9-10-12-36(26)48(43)6)17-38(47(41)5)34(28)22-54-45(35,3)55-24(2)51/h9-13,19-20,27-28,33-35,37-38,40-41H,14-18,21-22H2,1-8H3/t27-,28+,33+,34+,35-,37-,38-,40 ,41-,45+/m0/s1"	CC(=O)C1=COC[C@@H]2[C@H]1CC3C4=C(C[C@@H]2N3C)C5=C(N4C)C=C(C(=C5)C[C@H]6[C@@H]7C[C@H]8C9=C(C[C@@H]([C@@H]7CO[C@]6(C)OC(=O)C)N8C)C1=CC=CC=C1N9C)OC	REOIONKDLKREKD-FMOGNJRXSA-N
DG59727	"1-(Phenylethynyl)-1,2-benziodazole-3-(1H)-one"	403789	"NSC719279; CHEMBL1973792; NSC-719279; NCI60_040976; 1-(Phenylethynyl)-1,2-benziodazole-3-(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719279	.	.	.	.	347.15	C15H10INO	29.1	388	3.6	18	1	1	2	"InChI=1S/C15H10INO/c18-15-13-8-4-5-9-14(13)16(17-15)11-10-12-6-2-1-3-7-12/h1-9H,(H,17,18)"	C1=CC=C(C=C1)C#CI2C3=CC=CC=C3C(=O)N2	XORMJEPECJJBKU-UHFFFAOYSA-N
DG59728	3-(methyl-S-glutathionyl)oxindole-diethyl ester	403790	NSC719280; CHEMBL1989483; NSC-719280; 3-(methyl-S-glutathionyl)oxindole-diethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719280	.	.	.	.	606.7	C23H34N4O11S2	274	848	.	40	6	13	16	"InChI=1S/C23H32N4O7S.H2O4S/c1-3-33-20(29)11-25-22(31)18(26-19(28)10-9-16(24)23(32)34-4-2)13-35-12-15-14-7-5-6-8-17(14)27-21(15)30;1-5(2,3)4/h5-8,15-16,18H,3-4,9-13,24H2,1-2H3,(H,25,31)(H,26,28)(H,27,30);(H2,1,2,3,4)"	CCOC(=O)CNC(=O)C(CSCC1C2=CC=CC=C2NC1=O)NC(=O)CCC(C(=O)OCC)N.OS(=O)(=O)O	MBVYZSUOWHSFMZ-UHFFFAOYSA-N
DG59729	Cannflavin B	403815	"Cannflavin B; 6-prenylchrysoeriol; Canniflavone; KK2PPP6QRW; UNII-KK2PPP6QRW; 76735-58-5; Canniflavone 1; NSC719330; CHEMBL1985794; SCHEMBL16769856; LMPK12110795; NSC-719330; 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one; NCI60_040982; XC176307; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3-methyl-2-buten-1-yl)-; 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719330	.	.	.	.	368.4	C21H20O6	96.2	608	4.6	27	3	6	4	"InChI=1S/C21H20O6/c1-11(2)4-6-13-15(23)9-19-20(21(13)25)16(24)10-17(27-19)12-5-7-14(22)18(8-12)26-3/h4-5,7-10,22-23,25H,6H2,1-3H3"	CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)OC)O)C	IXCUTZUASDSIJO-UHFFFAOYSA-N
DG59730	1H-indol-3-yl diphenyl phosphate	403817	NSC719332; CHEMBL1993251; NSC-719332; NCI60_040984	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719332	.	.	.	.	365.3	C20H16NO4P	60.6	466	5.3	26	1	4	6	"InChI=1S/C20H16NO4P/c22-26(23-16-9-3-1-4-10-16,24-17-11-5-2-6-12-17)25-20-15-21-19-14-8-7-13-18(19)20/h1-15,21H"	C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CNC4=CC=CC=C43	JXMDQSPEXGIMNW-UHFFFAOYSA-N
DG59731	"(5aR,6R,8aR)-5a-methyl-6-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,8a-octahydro-1H-cyclopenta[b]azepine"	403828	NSC719362; CHEMBL1964968; NSC-719362; NCI60_040987	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719362	.	.	.	.	265.5	C18H35N	12	273	5.9	19	1	1	5	"InChI=1S/C18H35N/c1-14(2)8-7-9-15(3)16-10-11-17-18(16,4)12-5-6-13-19-17/h14-17,19H,5-13H2,1-4H3/t15 ,16-,17-,18-/m1/s1"	CC(C)CCCC(C)[C@H]1CC[C@@H]2[C@@]1(CCCCN2)C	UCGJCAGQAMYVHQ-QSLYMNIHSA-N
DG59732	"(2R,5R,6R)-6-methyl-5-(6-methylheptan-2-yl)-13-phenyl-1,11,12-triazatricyclo[8.3.0.02,6]trideca-10,12-diene"	403832	NSC719366; CHEMBL1986114; NSC-719366; NCI60_040991	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719366	.	.	.	.	379.6	C25H37N3	30.7	500	7	28	0	2	6	"InChI=1S/C25H37N3/c1-18(2)10-8-11-19(3)21-15-16-22-25(21,4)17-9-14-23-26-27-24(28(22)23)20-12-6-5-7-13-20/h5-7,12-13,18-19,21-22H,8-11,14-17H2,1-4H3/t19 ,21-,22-,25-/m1/s1"	CC(C)CCCC(C)[C@H]1CC[C@@H]2[C@@]1(CCCC3=NN=C(N23)C4=CC=CC=C4)C	MVNRLLFNEVJWNW-DSANBWLUSA-N
DG59733	"(4S,8S,12S,16S)-1,9-Diallyl-4,8,12,16-tetrabenzyl-1,5,9,13-tetraazacyclohexadecane-2,6,10,14-tetraone"	403842	"NSC719376; CHEMBL1972925; NSC-719376; NCI60_040994; (4S,8S,12S,16S)-1,9-Diallyl-4,8,12,16-tetrabenzyl-1,5,9,13-tetraazacyclohexadecane-2,6,10,14-tetraone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719376	.	.	.	.	724.9	C46H52N4O4	98.8	1110	6.7	54	2	4	12	"InChI=1S/C46H52N4O4/c1-3-25-49-41(29-37-21-13-7-14-22-37)33-43(51)48-40(28-36-19-11-6-12-20-36)32-46(54)50(26-4-2)42(30-38-23-15-8-16-24-38)34-44(52)47-39(31-45(49)53)27-35-17-9-5-10-18-35/h3-24,39-42H,1-2,25-34H2,(H,47,52)(H,48,51)/t39-,40-,41-,42-/m0/s1"	C=CCN1[C@H](CC(=O)N[C@H](CC(=O)N([C@H](CC(=O)N[C@H](CC1=O)CC2=CC=CC=C2)CC3=CC=CC=C3)CC=C)CC4=CC=CC=C4)CC5=CC=CC=C5	UMRMGBRAUYLWTN-IWWWZYECSA-N
DG59734	"methyl 2-[(1R,2R,6S,7S)-3,5-dithiatricyclo[5.2.1.02,6]dec-8-en-4-ylidene]-1,3-dithiole-4-carboxylate"	403847	NSC719381; CHEMBL1964680; NSC-719381; NCI60_040998	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719381	.	.	.	.	328.5	C13H12O2S4	128	515	3.6	19	0	6	2	"InChI=1S/C13H12O2S4/c1-15-11(14)8-5-16-12(17-8)13-18-9-6-2-3-7(4-6)10(9)19-13/h2-3,5-7,9-10H,4H2,1H3/t6-,7+,9+,10-"	COC(=O)C1=CSC(=C2S[C@@H]3[C@@H]4C[C@H]([C@@H]3S2)C=C4)S1	XBWIMVLZHLPQGG-SWOGREBESA-N
DG59735	"N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-3,5-dinitrobenzamide"	403860	"NSC719393; ChemDiv1_000166; Oprea1_583985; CHEMBL1994472; HMS587H12; ZINC1662834; AKOS001583423; MCULE-5292256791; NSC-719393; NCI60_041001; N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-3,5-dinitrobenzamide; N-(4-{[(4,6-dimethylpyrimidin-2-yl)amino]sulfonyl}phenyl)-3,5-dinitrobenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719393	.	.	.	.	472.4	C19H16N6O7S	201	799	1.5	33	2	10	5	"InChI=1S/C19H16N6O7S/c1-11-7-12(2)21-19(20-11)23-33(31,32)17-5-3-14(4-6-17)22-18(26)13-8-15(24(27)28)10-16(9-13)25(29)30/h3-10H,1-2H3,(H,22,26)(H,20,21,23)"	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C	AMYNTEMFHMIBMZ-UHFFFAOYSA-N
DG59736	methyl 2-hydroxy-5-[(3-methylphenyl)methyl]-6-oxo-11H-benzo[b]carbazole-1-carboxylate	403873	NSC719406; CHEMBL1970320; NSC-719406; NCI60_041007	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719406	.	.	.	.	411.4	C26H21NO4	68.5	695	5.8	31	1	4	4	"InChI=1S/C26H21NO4/c1-15-6-5-7-16(12-15)14-27-20-10-11-21(28)23(26(30)31-2)22(20)19-13-17-8-3-4-9-18(17)25(29)24(19)27/h3-12,28H,13-14H2,1-2H3"	CC1=CC(=CC=C1)CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4)C(=C(C=C3)O)C(=O)OC	YBRDZPRULOIWFQ-UHFFFAOYSA-N
DG59737	"methyl 5-[(3,5-dimethoxyphenyl)methyl]-2-hydroxy-6-oxo-11H-benzo[b]carbazole-1-carboxylate"	403874	NSC719407; CHEMBL1977907; NSC-719407; NCI60_041008	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719407	.	.	.	.	457.5	C27H23NO6	87	747	5.4	34	1	6	6	"InChI=1S/C27H23NO6/c1-32-17-10-15(11-18(13-17)33-2)14-28-21-8-9-22(29)24(27(31)34-3)23(21)20-12-16-6-4-5-7-19(16)26(30)25(20)28/h4-11,13,29H,12,14H2,1-3H3"	COC1=CC(=CC(=C1)CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4)C(=C(C=C3)O)C(=O)OC)OC	UIERGVBQHJZMJP-UHFFFAOYSA-N
DG59738	methyl 5-benzyl-2-hydroxy-6-oxo-11H-benzo[b]carbazole-1-carboxylate	403876	NSC719409; CHEMBL1971580; NSC-719409; NCI60_041010	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719409	.	.	.	.	397.4	C25H19NO4	68.5	660	5.4	30	1	4	4	"InChI=1S/C25H19NO4/c1-30-25(29)22-20(27)12-11-19-21(22)18-13-16-9-5-6-10-17(16)24(28)23(18)26(19)14-15-7-3-2-4-8-15/h2-12,27H,13-14H2,1H3"	COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3)O	PFHWETGRXRTEIN-UHFFFAOYSA-N
DG59739	"5-[(3,5-dimethoxyphenyl)methyl]-2-hydroxy-11H-benzo[b]carbazol-6-one"	403878	NSC719411; CHEMBL1986079; NSC-719411; NCI60_041012	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719411	.	.	.	.	399.4	C25H21NO4	60.7	614	4.9	30	1	4	4	"InChI=1S/C25H21NO4/c1-29-18-9-15(10-19(13-18)30-2)14-26-23-8-7-17(27)12-21(23)22-11-16-5-3-4-6-20(16)25(28)24(22)26/h3-10,12-13,27H,11,14H2,1-2H3"	COC1=CC(=CC(=C1)CN2C3=C(C=C(C=C3)O)C4=C2C(=O)C5=CC=CC=C5C4)OC	MUIBLGSPNZETMK-UHFFFAOYSA-N
DG59740	"2-Hydroxy-5-[(2-methoxyphenyl)methyl]benzo[b]carbazole-6,11-dione"	403879	NSC719412; CHEMBL1976533; NSC-719412; NCI60_041013	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719412	.	.	.	.	383.4	C24H17NO4	68.5	651	4.5	29	1	4	3	"InChI=1S/C24H17NO4/c1-29-20-9-5-2-6-14(20)13-25-19-11-10-15(26)12-18(19)21-22(25)24(28)17-8-4-3-7-16(17)23(21)27/h2-12,26H,13H2,1H3"	COC1=CC=CC=C1CN2C3=C(C=C(C=C3)O)C4=C2C(=O)C5=CC=CC=C5C4=O	CLXZRRMUHNTKOH-UHFFFAOYSA-N
DG59741	"5-[(2,4-Dichlorophenyl)methyl]-2-hydroxybenzo[b]carbazole-6,11-dione"	403882	NSC719415; CHEMBL1994164; NSC-719415; NCI60_041015	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719415	.	.	.	.	422.3	C23H13Cl2NO3	59.3	673	5.8	29	1	3	2	"InChI=1S/C23H13Cl2NO3/c24-13-6-5-12(18(25)9-13)11-26-19-8-7-14(27)10-17(19)20-21(26)23(29)16-4-2-1-3-15(16)22(20)28/h1-10,27H,11H2"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N(C4=C3C=C(C=C4)O)CC5=C(C=C(C=C5)Cl)Cl	YFVWMDSMNVQAIJ-UHFFFAOYSA-N
DG59742	2-hydroxy-5-(4-methoxyphenyl)-11H-benzo[b]carbazol-6-one	403883	NSC719416; CHEMBL1987599; NSC-719416; NCI60_041016	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719416	.	.	.	.	355.4	C23H17NO3	51.5	558	5	27	1	3	2	"InChI=1S/C23H17NO3/c1-27-17-9-6-15(7-10-17)24-21-11-8-16(25)13-19(21)20-12-14-4-2-3-5-18(14)23(26)22(20)24/h2-11,13,25H,12H2,1H3"	COC1=CC=C(C=C1)N2C3=C(C=C(C=C3)O)C4=C2C(=O)C5=CC=CC=C5C4	RWGKMWMTDQXQHF-UHFFFAOYSA-N
DG59743	"3-(4-bromophenyl)-2-phenyl-3a,4-dihydro-3H-thiochromeno[4,3-c]pyrazole"	403885	NSC719469; CHEMBL2000057; NSC-719469; NCI60_041018	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719469	.	.	.	.	421.4	C22H17BrN2S	40.9	524	6	26	0	3	2	"InChI=1S/C22H17BrN2S/c23-16-12-10-15(11-13-16)22-19-14-26-20-9-5-4-8-18(20)21(19)24-25(22)17-6-2-1-3-7-17/h1-13,19,22H,14H2"	C1C2C(N(N=C2C3=CC=CC=C3S1)C4=CC=CC=C4)C5=CC=C(C=C5)Br	AFHSHLMTBPFEII-UHFFFAOYSA-N
DG59744	"Phenolnaphthalein derivative, 1"	403898	"CHEMBL303171; NSC719487; Phenolnaphthalein derivative, 1; BDBM18769; 1,8-naphthalein derivative, 17; NSC-719487; bis(3-fluoro-4-hydroxy-phenyl)[ ]one; NCI60_041033; 3,3-Bis-(3-fluoro-4-hydroxy-phenyl)-3H-benzo[de]isochromen-1-one; 3,3-bis(3-fluoro-4-hydroxyphenyl)-1h,3h-naphtho[1,8-cd]pyran-1-one; 4,4-bis(3-fluoro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.0;{5,13}]trideca-1(12),5,7,9(13),10-pentaen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719487	.	.	.	.	404.4	C24H14F2O4	66.8	631	5.3	30	2	6	2	"InChI=1S/C24H14F2O4/c25-18-11-14(7-9-20(18)27)24(15-8-10-21(28)19(26)12-15)17-6-2-4-13-3-1-5-16(22(13)17)23(29)30-24/h1-12,27-28H"	C1=CC2=C3C(=C1)C(=O)OC(C3=CC=C2)(C4=CC(=C(C=C4)O)F)C5=CC(=C(C=C5)O)F	SPKXRRWGTBJOFK-UHFFFAOYSA-N
DG59745	"3,3-Bis-(4-methoxy-phenyl)-3H-benzo[de]isochromen-1-one"	403899	"NSC719488; bis(4-methoxyphenyl)[ ]one; CHEMBL307300; NSC-719488; NCI60_041034; 3,3-Bis-(4-methoxy-phenyl)-3H-benzo[de]isochromen-1-one; 3,3-Bis(4-methoxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719488	.	.	.	.	396.4	C26H20O4	44.8	578	5.7	30	0	4	4	"InChI=1S/C26H20O4/c1-28-20-13-9-18(10-14-20)26(19-11-15-21(29-2)16-12-19)23-8-4-6-17-5-3-7-22(24(17)23)25(27)30-26/h3-16H,1-2H3"	COC1=CC=C(C=C1)C2(C3=CC=CC4=C3C(=CC=C4)C(=O)O2)C5=CC=C(C=C5)OC	XPTOZIUZBVUJJM-UHFFFAOYSA-N
DG59746	NSC719489	403900	"8-Chloro-4,4-bis(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one;10-chloro-4,4-bis(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one; NSC719489; NSC-719489; NCI60_041035"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719489	.	.	.	.	805.6	C48H30Cl2O8	134	1170	.	58	4	8	4	"InChI=1S/2C24H15ClO4/c25-21-13-12-19-22-18(21)2-1-3-20(22)24(29-23(19)28,14-4-8-16(26)9-5-14)15-6-10-17(27)11-7-15;25-21-13-12-20-22-18(21)2-1-3-19(22)23(28)29-24(20,14-4-8-16(26)9-5-14)15-6-10-17(27)11-7-15/h2*1-13,26-27H"	C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O)Cl.C1=CC2=C(C=CC3=C2C(=C1)C(OC3=O)(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O)Cl	NHDORYPFBIAQEF-UHFFFAOYSA-N
DG59747	"11-Methyl-8,11-dihydro-8,9,11-triaza-7H-benzo[a]fluorene-7-one"	403909	"NSC719502; CHEMBL1976970; NSC-719502; NCI60_041038; 11-Methyl-8,11-dihydro-8,9,11-triaza-7H-benzo[a]fluorene-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719502	.	.	.	.	249.27	C15H11N3O	46.4	422	2.4	19	1	2	0	"InChI=1S/C15H11N3O/c1-18-12-8-16-17-15(19)13(12)11-7-6-9-4-2-3-5-10(9)14(11)18/h2-8H,1H3,(H,17,19)"	CN1C2=C(C3=C1C4=CC=CC=C4C=C3)C(=O)NN=C2	UONMHZZBOZMGFW-UHFFFAOYSA-N
DG59748	"12-Methyl-5,6,7,8,9,12-hexahydro-9,10,12-triazadibenzo[a,e]azulene-8-one"	403910	"NSC719503; CHEMBL1990062; NSC-719503; NCI60_041039; 12-Methyl-5,6,7,8,9,12-hexahydro-9,10,12-triazadibenzo[a,e]azulene-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719503	.	.	.	.	265.31	C16H15N3O	46.4	435	2.3	20	1	2	0	"InChI=1S/C16H15N3O/c1-19-13-9-17-18-16(20)14(13)12-8-4-6-10-5-2-3-7-11(10)15(12)19/h2-3,5,7,9H,4,6,8H2,1H3,(H,18,20)"	CN1C2=C(C3=C1C4=CC=CC=C4CCC3)C(=O)NN=C2	FTDCBIZJAJOZSS-UHFFFAOYSA-N
DG59749	"1-Methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene"	403919	"1-Methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene; 1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene; CHEBI:49249; 21902-26-1; b-bisabolene; beta-Bisabolen; b-Limene; Bisabolene PEH-III G3; (E)- .beta.-Bisabolene; 1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-)-; 2,7(14),10-Bisabolatriene; CHEMBL2001434; NSC719625; AKOS025295375; bisabola-4,7(11),10(15)-triene; NSC-719625; 4891-79-6; NCI60_041047; FT-0622892; Q27121561; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)cyclohexene, 9CI; 1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; 1-METHYL-4-(1-METHYLENE-5-METHYL-4-HEXENYL)CYCLOHEXENE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719625	.	.	.	.	204.35	C15H24	0	274	5.2	15	0	0	4	"InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3"	CC1=CCC(CC1)C(=C)CCC=C(C)C	XZRVRYFILCSYSP-UHFFFAOYSA-N
DG59750	1-O-Octadecyl-[(2.fwdarw.5')-3'-C-ethinyl-cytidylyl]-rac-glycerylyl-(3.fwdarw.5')-3'-azido-3'-deoxythymidine	403924	NSC719660; CHEMBL1975359; NSC-719660; NCI60_041053; 1-O-Octadecyl-[(2.fwdarw.5')-3'-C-ethinyl-cytidylyl]-rac-glycerylyl-(3.fwdarw.5')-3'-azido-3'-deoxythymidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719660	.	.	.	.	1003	C42H68N8O16P2	302	1980	4.2	68	6	18	34	"InChI=1S/C42H68N8O16P2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-60-26-31(66-68(58,59)63-29-34-42(55,5-2)37(51)39(65-34)49-22-21-35(43)45-40(49)53)27-61-67(56,57)62-28-33-32(47-48-44)24-36(64-33)50-25-30(3)38(52)46-41(50)54/h2,21-22,25,31-34,36-37,39,51,55H,4,6-20,23-24,26-29H2,1,3H3,(H,56,57)(H,58,59)(H2,43,45,53)(H,46,52,54)"	CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)(C#C)O	QKQPGPKZAJNBSC-UHFFFAOYSA-N
DG59751	"(11aS)-7-Methoxy-8-[3-(4-methylpiperazino)propoxy]-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one"	403925	"NSC719665; CHEMBL56089; NSC-719665; NCI60_041056; (11aS)-7-Methoxy-8-[3-(4-methylpiperazino)propoxy]-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one; 7-methoxy-8-[3-(4-methylhexahydro-1-pyrazinyl)propoxyl -(11aS)-2,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4] benzodiazepine-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719665	.	.	.	.	386.5	C21H30N4O3	57.6	564	1.3	28	0	6	6	"InChI=1S/C21H30N4O3/c1-23-8-10-24(11-9-23)6-4-12-28-20-14-18-17(13-19(20)27-2)21(26)25-7-3-5-16(25)15-22-18/h13-16H,3-12H2,1-2H3/t16-/m0/s1"	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=C[C@@H]4CCCN4C3=O)OC	DAAQBVONDJCFEB-INIZCTEOSA-N
DG59752	"(11aS)-7-Methoxy-8-(3-morpholinopropoxy)-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one"	403927	"NSC719667; CHEMBL57472; NSC-719667; NCI60_041058; 7-methoxy-8-[3-(1,3,5,11a -tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one; (11aS)-7-Methoxy-8-(3-morpholinopropoxy)-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719667	.	.	.	.	373.4	C20H27N3O4	63.6	537	1.1	27	0	6	6	"InChI=1S/C20H27N3O4/c1-25-18-12-16-17(21-14-15-4-2-6-23(15)20(16)24)13-19(18)27-9-3-5-22-7-10-26-11-8-22/h12-15H,2-11H2,1H3/t15-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OCCCN4CCOCC4	JRLQATIABHKHSA-HNNXBMFYSA-N
DG59753	"2'-(2-Oxo-2-ethoxyethyl)-1,3,4,9-tetrahydrospiro[2H-carbazole-2,3'-indoline]-1-carboxylic acid ethyl ester"	403940	"NSC719706; CHEMBL1968161; NSC-719706; NCI60_041067; 2'-(2-Oxo-2-ethoxyethyl)-1,3,4,9-tetrahydrospiro[2H-carbazole-2,3'-indoline]-1-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719706	.	.	.	.	432.5	C26H28N2O4	80.4	714	4.4	32	2	5	7	"InChI=1S/C26H28N2O4/c1-3-31-22(29)15-21-26(18-10-6-8-12-20(18)27-21)14-13-17-16-9-5-7-11-19(16)28-24(17)23(26)25(30)32-4-2/h5-12,21,23,27-28H,3-4,13-15H2,1-2H3"	CCOC(=O)CC1C2(CCC3=C(C2C(=O)OCC)NC4=CC=CC=C34)C5=CC=CC=C5N1	GUADCCGSSHGVIH-UHFFFAOYSA-N
DG59754	"1-(6,7-Dichloro-3-methyl-1,4-dioxidoquinoxalin-2-yl)ethanone"	403948	"NSC719714; Cambridge id 6981662; CHEMBL1774798; 1-(6,7-dichloro-3-methyl-1,4-dioxidoquinoxalin-2-yl)ethanone; ZINC1662901; STK836664; AKOS004121449; NSC-719714; NCGC00336520-01; NCI60_041071; AB00298591-03; SR-01000248005; SR-01000248005-1; 2-Acetyl-3-methyl-6,7-dichloroquinoxaline 1,4-dioxide; Ethanone, 1-(6,7-dichloro-3-methyl-1,4-dioxido-2-quinoxalinyl)-; 1-(6,7-dichloro-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719714	.	.	.	.	287.1	C11H8Cl2N2O3	63.4	438	1.5	18	0	4	1	"InChI=1S/C11H8Cl2N2O3/c1-5-11(6(2)16)15(18)10-4-8(13)7(12)3-9(10)14(5)17/h3-4H,1-2H3"	CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)C	UYEJSNFETDFBSI-UHFFFAOYSA-N
DG59755	"1-[6,7-Dichloro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]ethanone"	403949	NSC719715; CHEMBL1980773; NSC-719715; NCI60_041072	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719715	.	.	.	.	341.07	C11H5Cl2F3N2O3	63.4	523	2.1	21	0	7	1	"InChI=1S/C11H5Cl2F3N2O3/c1-4(19)9-10(11(14,15)16)18(21)8-3-6(13)5(12)2-7(8)17(9)20/h2-3H,1H3"	CC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)Cl)Cl)[O-])C(F)(F)F	DUAGXVMKTWHBHK-UHFFFAOYSA-N
DG59756	"2-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione"	403954	NSC719720; CHEMBL1971196; NSC-719720; NCI60_041073	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719720	.	.	.	.	346.4	C17H18N2O4S	98.1	643	3.5	24	0	6	4	"InChI=1S/C17H18N2O4S/c1-8-7-19-12(10(3)18-17(19)24-8)6-11-9(2)13(20)15(22-4)16(23-5)14(11)21/h7H,6H2,1-5H3"	CC1=CN2C(=C(N=C2S1)C)CC3=C(C(=O)C(=C(C3=O)OC)OC)C	QYBTWCFMAJOPGY-UHFFFAOYSA-N
DG59757	"2-[(6-Chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione"	403957	NSC719723; CHEMBL1980431; NSC-719723; NCI60_041076	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719723	.	.	.	.	366.8	C16H15ClN2O4S	98.1	648	4	24	0	6	4	"InChI=1S/C16H15ClN2O4S/c1-7-6-19-10(15(17)18-16(19)24-7)5-9-8(2)11(20)13(22-3)14(23-4)12(9)21/h6H,5H2,1-4H3"	CC1=CN2C(=C(N=C2S1)Cl)CC3=C(C(=O)C(=C(C3=O)OC)OC)C	NRQJFDJDYDOQJM-UHFFFAOYSA-N
DG59758	"Diethyl 4-amino-[1,2,4]triazino[4,3-a]indole-3,10-dicarboxylate"	403963	NSC719734; CHEMBL1997906; NSC-719734; NCI60_041082	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719734	.	.	.	.	328.32	C16H16N4O4	109	489	2.3	24	1	7	6	"InChI=1S/C16H16N4O4/c1-3-23-15(21)11-9-7-5-6-8-10(9)20-13(17)12(16(22)24-4-2)18-19-14(11)20/h5-8H,3-4,17H2,1-2H3"	CCOC(=O)C1=C2N=NC(=C(N2C3=CC=CC=C31)N)C(=O)OCC	GHDCMAVHPTXUBA-UHFFFAOYSA-N
DG59759	"Ethyl 4-amino-3-carbamoyl-[1,2,4]triazino[4,3-a]indole-10-carboxylate"	403964	NSC719735; CHEMBL1975764; ZINC01662917; NSC-719735; NCI60_041083	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719735	.	.	.	.	299.28	C14H13N5O3	126	460	0.9	22	2	6	4	"InChI=1S/C14H13N5O3/c1-2-22-14(21)9-7-5-3-4-6-8(7)19-11(15)10(12(16)20)17-18-13(9)19/h3-6H,2,15H2,1H3,(H2,16,20)"	CCOC(=O)C1=C2N=NC(=C(N2C3=CC=CC=C31)N)C(=O)N	LKJUJVWOSNHETF-UHFFFAOYSA-N
DG59760	"S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) phenazine-1-carbothioate"	403975	NSC719923; CHEMBL2000314; NSC-719923; NCI60_041089	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719923	.	.	.	.	351.3	C16H9N5O3S	139	625	2.2	25	2	7	3	"InChI=1S/C16H9N5O3S/c22-13-14(20-21-16(24)19-13)25-15(23)8-4-3-7-11-12(8)18-10-6-2-1-5-9(10)17-11/h1-7H,(H2,19,21,22,24)"	C1=CC=C2C(=C1)N=C3C=CC=C(C3=N2)C(=O)SC4=NNC(=O)NC4=O	HHTILRLLLMYAML-UHFFFAOYSA-N
DG59761	"Butanedioic acid, [(dimethylarsino)thio]-"	403983	"Butanedioic acid, [(dimethylarsino)thio]-; S-(Dimethylarsino)-thiomercaptosuccinic acid; SCHEMBL630522; CHEMBL1965067; DTXSID70328046; NSC719982; NSC-719982; 560107-78-0; NCI60_041094"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719982	.	.	.	.	254.14	C6H11AsO4S	99.9	182	.	12	2	5	5	"InChI=1S/C6H11AsO4S/c1-7(2)12-4(6(10)11)3-5(8)9/h4H,3H2,1-2H3,(H,8,9)(H,10,11)"	C[As](C)SC(CC(=O)O)C(=O)O	VBROOMHVQIBYCT-UHFFFAOYSA-N
DG59762	Elbfluorene	403993	"elbfluorene; CHEMBL133712; NSC720028; BDBM7451; SCHEMBL13907517; NSC-720028; NCI60_041098; 3-Acetyl-6-hydroxy-4-phenylbenzo[4,3-b]pyridine; 1-{12-hydroxy-3-phenyl-8-oxa-6-azatricyclo[7.4.0.0;{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl}ethan-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720028	.	.	.	.	303.3	C19H13NO3	63.3	448	3.9	23	1	4	2	"InChI=1S/C19H13NO3/c1-11(21)15-10-20-19-18(17(15)12-5-3-2-4-6-12)14-9-13(22)7-8-16(14)23-19/h2-10,22H,1H3"	CC(=O)C1=CN=C2C(=C1C3=CC=CC=C3)C4=C(O2)C=CC(=C4)O	RTDFHOPDAYJLII-UHFFFAOYSA-N
DG59763	"4-Phenyl-6-hydroxybenzofuro[2,3-b]pyridine-3-carboxylic acid ethyl ester"	403994	"CHEMBL132904; NSC720029; BDBM50124027; HSCI1_000390; NSC-720029; NCI60_041099; BRD-K75127215-001-01-5; Ethyl 6-Hydroxy-4-phenylbenzo[4,3-b]pyridine -3-carboxylate; 4-Phenyl-6-hydroxybenzofuro[2,3-b]pyridine-3-carboxylic acid ethyl ester; 6-Hydroxy-4-phenyl-benzo[4,5]furo[2,3-b]pyridine-3-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720029	.	.	.	.	333.3	C20H15NO4	72.6	478	4.4	25	1	5	4	"InChI=1S/C20H15NO4/c1-2-24-20(23)15-11-21-19-18(17(15)12-6-4-3-5-7-12)14-10-13(22)8-9-16(14)25-19/h3-11,22H,2H2,1H3"	CCOC(=O)C1=CN=C2C(=C1C3=CC=CC=C3)C4=C(O2)C=CC(=C4)O	ZIAVUCXRGWKBBY-UHFFFAOYSA-N
DG59764	"2,3-Dimethyl-7,8,9,11-tetrahydropyrazino[2,3-a]carbazole-5,6,10-trione"	404058	NSC720176; CHEMBL1998872; NSC-720176; NCI60_041127	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720176	.	.	.	.	295.29	C16H13N3O3	92.8	549	0.9	22	1	5	0	"InChI=1S/C16H13N3O3/c1-6-7(2)18-14-13(17-6)12-10(15(21)16(14)22)8-4-3-5-9(20)11(8)19-12/h19H,3-5H2,1-2H3"	CC1=C(N=C2C(=N1)C3=C(C4=C(N3)C(=O)CCC4)C(=O)C2=O)C	FFDLGUGEXACMRQ-UHFFFAOYSA-N
DG59765	"2,3,11-trimethyl-8,9-dihydro-7H-pyrazino[2,3-a]carbazole-5,6,10-trione"	404059	NSC720177; CHEMBL1974516; NSC-720177; NCI60_041128	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720177	.	.	.	.	309.32	C17H15N3O3	81.9	577	0.9	23	0	5	0	"InChI=1S/C17H15N3O3/c1-7-8(2)19-13-12(18-7)15-11(16(22)17(13)23)9-5-4-6-10(21)14(9)20(15)3/h4-6H2,1-3H3"	CC1=C(N=C2C(=N1)C3=C(C4=C(N3C)C(=O)CCC4)C(=O)C2=O)C	NALCLAKZYQIDMJ-UHFFFAOYSA-N
DG59766	"5-[(3,5-Dimethoxyphenyl)methyl]-1-[(dimethylamino)methyl]-2-hydroxybenzo[b]carbazole-6,11-dione"	404062	NSC720180; CHEMBL2001588; NSC-720180; NCI60_041130	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720180	.	.	.	.	470.5	C28H26N2O5	81	777	4.3	35	1	6	6	"InChI=1S/C28H26N2O5/c1-29(2)15-21-23(31)10-9-22-24(21)25-26(28(33)20-8-6-5-7-19(20)27(25)32)30(22)14-16-11-17(34-3)13-18(12-16)35-4/h5-13,31H,14-15H2,1-4H3"	CN(C)CC1=C(C=CC2=C1C3=C(N2CC4=CC(=CC(=C4)OC)OC)C(=O)C5=CC=CC=C5C3=O)O	AFWUHDKGNJUUKF-UHFFFAOYSA-N
DG59767	"(3-Thienyl)(benzo[c][2,7]naphthyridine-4-yl) ketone"	404064	"NSC720182; CHEMBL1975697; NSC-720182; NCI60_041131; (3-Thienyl)(benzo[c][2,7]naphthyridine-4-yl) ketone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720182	.	.	.	.	290.3	C17H10N2OS	71.1	402	3.7	21	0	4	2	InChI=1S/C17H10N2OS/c20-17(11-6-8-21-10-11)16-14-9-19-15-4-2-1-3-13(15)12(14)5-7-18-16/h1-10H	C1=CC=C2C(=C1)C3=C(C=N2)C(=NC=C3)C(=O)C4=CSC=C4	XQRJZYLEWQIIAK-UHFFFAOYSA-N
DG59768	"(2-Thienyl)(benzo[c][2,7]naphthyridine-4-yl) ketone"	404065	"NSC720183; CHEMBL2005012; NSC-720183; NCI60_041132; (2-Thienyl)(benzo[c][2,7]naphthyridine-4-yl) ketone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720183	.	.	.	.	290.3	C17H10N2OS	71.1	402	4.1	21	0	4	2	InChI=1S/C17H10N2OS/c20-17(15-6-3-9-21-15)16-13-10-19-14-5-2-1-4-12(14)11(13)7-8-18-16/h1-10H	C1=CC=C2C(=C1)C3=C(C=N2)C(=NC=C3)C(=O)C4=CC=CS4	KEMFIHVXMAKOGN-UHFFFAOYSA-N
DG59769	"(1-Methyl-6-oxo-1,6-dihydropyridine-3-yl)(benzo[c][2,7]naphthyridine-4-yl) ketone"	404067	"NSC720185; CHEMBL1977322; NSC-720185; NCI60_041133; (1-Methyl-6-oxo-1,6-dihydropyridine-3-yl)(benzo[c][2,7]naphthyridine-4-yl) ketone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720185	.	.	.	.	315.3	C19H13N3O2	63.2	597	2.2	24	0	4	2	"InChI=1S/C19H13N3O2/c1-22-11-12(6-7-17(22)23)19(24)18-15-10-21-16-5-3-2-4-14(16)13(15)8-9-20-18/h2-11H,1H3"	CN1C=C(C=CC1=O)C(=O)C2=NC=CC3=C2C=NC4=CC=CC=C34	AGMRHCOVPCVBCM-UHFFFAOYSA-N
DG59770	N-(dipyridin-2-ylmethylideneamino)-1H-benzimidazol-2-amine	404076	NSC720195; CHEMBL1971217; NSC-720195; NCGC00188877-01; NCI60_041142	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720195	.	.	.	.	314.3	C18H14N6	78.8	419	3.8	24	2	5	4	"InChI=1S/C18H14N6/c1-2-8-14-13(7-1)21-18(22-14)24-23-17(15-9-3-5-11-19-15)16-10-4-6-12-20-16/h1-12H,(H2,21,22,24)"	C1=CC=C2C(=C1)NC(=N2)NN=C(C3=CC=CC=N3)C4=CC=CC=N4	VBLGTIKLKDZKOZ-UHFFFAOYSA-N
DG59771	"N-(dipyridin-2-ylmethylideneamino)-1,3-benzoxazol-2-amine"	404079	NSC720200; CHEMBL216191; NSC-720200; NCGC00188876-01; NCI60_041147	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720200	.	.	.	.	315.3	C18H13N5O	76.2	423	4.1	24	1	6	4	"InChI=1S/C18H13N5O/c1-2-10-16-13(7-1)21-18(24-16)23-22-17(14-8-3-5-11-19-14)15-9-4-6-12-20-15/h1-12H,(H,21,23)"	C1=CC=C2C(=C1)N=C(O2)NN=C(C3=CC=CC=N3)C4=CC=CC=N4	KSUHGVVTBOMMPD-UHFFFAOYSA-N
DG59772	"N-(2,6-difluorophenyl)-N-(2-hydroxy-3-phenoxypropyl)-4-methylbenzenesulfonamide"	404080	NSC720201; CHEMBL1992494; NSC-720201; NCI60_041148	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720201	.	.	.	.	433.5	C22H21F2NO4S	75.2	605	4.2	30	1	7	8	"InChI=1S/C22H21F2NO4S/c1-16-10-12-19(13-11-16)30(27,28)25(22-20(23)8-5-9-21(22)24)14-17(26)15-29-18-6-3-2-4-7-18/h2-13,17,26H,14-15H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)N(CC(COC2=CC=CC=C2)O)C3=C(C=CC=C3F)F	YRSYXODRWQMJDA-UHFFFAOYSA-N
DG59773	"N-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenoxypropyl)-4-methylbenzenesulfonamide"	404081	NSC720202; CHEMBL1974733; NSC-720202; NCI60_041149	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720202	.	.	.	.	433.5	C22H21F2NO4S	75.2	615	4.2	30	1	7	8	"InChI=1S/C22H21F2NO4S/c1-16-7-10-20(11-8-16)30(27,28)25(22-12-9-17(23)13-21(22)24)14-18(26)15-29-19-5-3-2-4-6-19/h2-13,18,26H,14-15H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)N(CC(COC2=CC=CC=C2)O)C3=C(C=C(C=C3)F)F	HKRGRJHREZWSQC-UHFFFAOYSA-N
DG59774	"N-(2-hydroxy-3-phenoxypropyl)-4-methyl-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide"	404082	NSC720203; CHEMBL2002142; NSC-720203; NCI60_041150	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720203	.	.	.	.	469.5	C22H19F4NO4S	75.2	666	4.4	32	1	9	8	"InChI=1S/C22H19F4NO4S/c1-14-7-9-17(10-8-14)32(29,30)27(22-20(25)18(23)11-19(24)21(22)26)12-15(28)13-31-16-5-3-2-4-6-16/h2-11,15,28H,12-13H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)N(CC(COC2=CC=CC=C2)O)C3=C(C(=CC(=C3F)F)F)F	BNGLRQJRJUTPSW-UHFFFAOYSA-N
DG59775	"N-(2-hydroxy-3-phenoxypropyl)-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide"	404083	NSC720204; CHEMBL1972507; NSC-720204; NCI60_041151	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720204	.	.	.	.	487.4	C22H18F5NO4S	75.2	696	4.5	33	1	10	8	"InChI=1S/C22H18F5NO4S/c1-13-7-9-16(10-8-13)33(30,31)28(11-14(29)12-32-15-5-3-2-4-6-15)22-20(26)18(24)17(23)19(25)21(22)27/h2-10,14,29H,11-12H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)N(CC(COC2=CC=CC=C2)O)C3=C(C(=C(C(=C3F)F)F)F)F	BSKHCFJSWURNRS-UHFFFAOYSA-N
DG59776	N-(2-Fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-p-toluenesulfonamide	404084	NSC720205; CHEMBL1994598; NSC-720205; NCI60_041152; N-(2-Fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-p-toluenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720205	.	.	.	.	385.5	C21H20FNO3S	66	550	3.9	27	1	5	6	"InChI=1S/C21H20FNO3S/c1-16-11-13-18(14-12-16)27(25,26)23(20-10-6-5-9-19(20)22)15-21(24)17-7-3-2-4-8-17/h2-14,21,24H,15H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)N(CC(C2=CC=CC=C2)O)C3=CC=CC=C3F	SIRZVLZKALFINI-UHFFFAOYSA-N
DG59777	N-(2-Fluorophenyl)-N-(2-hydroxycyclohexyl)-p-toluenesulfonamide	404086	NSC720207; CHEMBL1975517; NSC-720207; NCI60_041153; N-(2-Fluorophenyl)-N-(2-hydroxycyclohexyl)-p-toluenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720207	.	.	.	.	363.4	C19H22FNO3S	66	527	3.7	25	1	5	4	"InChI=1S/C19H22FNO3S/c1-14-10-12-15(13-11-14)25(23,24)21(17-7-3-2-6-16(17)20)18-8-4-5-9-19(18)22/h2-3,6-7,10-13,18-19,22H,4-5,8-9H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)N(C2CCCCC2O)C3=CC=CC=C3F	RDEWYSPZHTYTSS-UHFFFAOYSA-N
DG59778	4-(4-carbazol-9-ylbutanoylamino)-N-[3-(dimethylamino)propyl]-1-methylpyrrole-2-carboxamide	404108	NSC720229; CHEMBL1965443; NSC-720229; NCI60_041158	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720229	.	.	.	.	459.6	C27H33N5O2	71.3	664	3.2	34	2	3	10	"InChI=1S/C27H33N5O2/c1-30(2)16-9-15-28-27(34)25-18-20(19-31(25)3)29-26(33)14-8-17-32-23-12-6-4-10-21(23)22-11-5-7-13-24(22)32/h4-7,10-13,18-19H,8-9,14-17H2,1-3H3,(H,28,34)(H,29,33)"	CN1C=C(C=C1C(=O)NCCCN(C)C)NC(=O)CCCN2C3=CC=CC=C3C4=CC=CC=C42	MIFSQZOAHJIZRZ-UHFFFAOYSA-N
DG59779	NSC720230	404109	1-Methyl-4-[1-methyl-4-(1-methyl-4-nitro-2-pyrrolylcarbonylamino)-2-pyrrolylcarbonylamino]-1H-pyrrole-2-carboxylic acid methyl ester; NSC720230; CHEMBL1982529; SCHEMBL20485561; NSC-720230; NCI60_041159; 1-Methyl-4-[1-methyl-4-(1-methyl-4-nitro-2-pyrrolylcarbonylamino)-2-pyrrolylcarbonylamino]-1H-pyrrole-2-carboxylic acid methyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720230	.	.	.	.	428.4	C19H20N6O6	145	729	0.5	31	2	6	6	"InChI=1S/C19H20N6O6/c1-22-8-11(20-18(27)15-7-13(25(29)30)10-24(15)3)5-14(22)17(26)21-12-6-16(19(28)31-4)23(2)9-12/h5-10H,1-4H3,(H,20,27)(H,21,26)"	CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)OC)C)NC(=O)C3=CC(=CN3C)[N+](=O)[O-]	WMAKIRPXFQIRJN-UHFFFAOYSA-N
DG59780	methyl N-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]carbamate	404116	NSC720239; CHEMBL1980810; NSC-720239; NCI60_041163	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720239	.	.	.	.	316.34	C14H12N4O3S	124	436	2.3	22	3	5	4	"InChI=1S/C14H12N4O3S/c1-21-14(20)18-13-16-9-5-4-8(7-10(9)17-13)15-12(19)11-3-2-6-22-11/h2-7H,1H3,(H,15,19)(H2,16,17,18,20)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)NC(=O)C3=CC=CS3	JCTLTGIHDXFGFP-UHFFFAOYSA-N
DG59781	methyl 2-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfonylamino]-4-methylpentanoate	404120	NSC720243; CHEMBL1986994; NSC-720243; NCI60_041166	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720243	.	.	.	.	398.4	C16H22N4O6S	148	635	2.1	27	3	8	9	"InChI=1S/C16H22N4O6S/c1-9(2)7-13(14(21)25-3)20-27(23,24)10-5-6-11-12(8-10)18-15(17-11)19-16(22)26-4/h5-6,8-9,13,20H,7H2,1-4H3,(H2,17,18,19,22)"	CC(C)CC(C(=O)OC)NS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC	XUWBIXSYHNPHLE-UHFFFAOYSA-N
DG59782	methyl N-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamate	404122	NSC720245; CHEMBL1965424; NSC-720245; NCI60_041168	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720245	.	.	.	.	352.4	C13H12N4O4S2	150	539	2	23	3	7	5	"InChI=1S/C13H12N4O4S2/c1-21-13(18)16-12-14-9-5-4-8(7-10(9)15-12)17-23(19,20)11-3-2-6-22-11/h2-7,17H,1H3,(H2,14,15,16,18)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)NS(=O)(=O)C3=CC=CS3	XZGNWVUSVRHWDL-UHFFFAOYSA-N
DG59783	methyl N-[6-[(4-fluorophenyl)sulfonylamino]-1H-benzimidazol-2-yl]carbamate	404125	NSC720248; CHEMBL1985710; NSC-720248; NCI60_041169	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720248	.	.	.	.	364.4	C15H13FN4O4S	122	577	2.1	25	3	7	5	"InChI=1S/C15H13FN4O4S/c1-24-15(21)19-14-17-12-7-4-10(8-13(12)18-14)20-25(22,23)11-5-2-9(16)3-6-11/h2-8,20H,1H3,(H2,17,18,19,21)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F	SQKFIMBPIYOIMJ-UHFFFAOYSA-N
DG59784	4-Fluoro-2-(4-amino-3-cyanophenyl)benzothiazole	404144	NSC720283; 4-Fluoro-2-(4-amino-3-cyanophenyl)benzothiazole; CHEMBL142612; SCHEMBL5691095; NSC-720283; NCI60_041182; 2-Amino-5-(4-fluoro-2-benzothiazolyl)benzonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720283	.	.	.	.	269.3	C14H8FN3S	90.9	382	3.7	19	1	5	1	"InChI=1S/C14H8FN3S/c15-10-2-1-3-12-13(10)18-14(19-12)8-4-5-11(17)9(6-8)7-16/h1-6H,17H2"	C1=CC(=C2C(=C1)SC(=N2)C3=CC(=C(C=C3)N)C#N)F	SNXOVVLVUFSOSZ-UHFFFAOYSA-N
DG59785	6-Fluoro-2-(4-amino-3-cyanophenyl)benzothiazole	404145	NSC720284; 6-Fluoro-2-(4-amino-3-cyanophenyl)benzothiazole; CHEMBL142655; SCHEMBL5691115; NSC-720284; NCI60_041183; 2-Amino-5-(6-fluoro-2-benzothiazolyl)benzonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720284	.	.	.	.	269.3	C14H8FN3S	90.9	382	3.7	19	1	5	1	"InChI=1S/C14H8FN3S/c15-10-2-4-12-13(6-10)19-14(18-12)8-1-3-11(17)9(5-8)7-16/h1-6H,17H2"	C1=CC(=C(C=C1C2=NC3=C(S2)C=C(C=C3)F)C#N)N	YSVLLPHICCNENQ-UHFFFAOYSA-N
DG59786	2-(4-Amino-3-(phenylacetylenyl)phenyl)benzothiazole	404146	NSC720285; 2-(4-amino-3-(phenylacetylenyl)phenyl)benzothiazole; CHEMBL1968075; NSC-720285; NCI60_041184	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720285	.	.	.	.	326.4	C21H14N2S	67.2	487	5.6	24	1	3	3	"InChI=1S/C21H14N2S/c22-18-13-12-17(21-23-19-8-4-5-9-20(19)24-21)14-16(18)11-10-15-6-2-1-3-7-15/h1-9,12-14H,22H2"	C1=CC=C(C=C1)C#CC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)N	AGZYNVXYSMQGFD-UHFFFAOYSA-N
DG59787	2-(4-Amino-3-(trimethylsilylaceylenyl)phenyl)benzothiazole	404147	NSC720286; CHEMBL142507; NSC-720286; NCI60_041185; 2-(4-Amino-3-(trimethylsilylaceylenyl)phenyl)benzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720286	.	.	.	.	322.5	C18H18N2SSi	67.2	461	.	22	1	3	3	"InChI=1S/C18H18N2SSi/c1-22(2,3)11-10-13-12-14(8-9-15(13)19)18-20-16-6-4-5-7-17(16)21-18/h4-9,12H,19H2,1-3H3"	C[Si](C)(C)C#CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)N	HEWYAYJAQIXRPZ-UHFFFAOYSA-N
DG59788	"Methyl-7alpha,2',4',5'-tetraoxacyclohexane)-3'-spirocyclohexane"	404150	"CHEMBL1966859; NSC720290; NSC-720290; NCI60_041188; Methyl-7.alpha.,2',4',5'-tetraoxacyclohexane)-3'-spirocyclohexane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720290	.	.	.	.	634.8	C35H54O10	116	1120	6.9	45	0	10	9	"InChI=1S/C35H54O10/c1-21(10-13-30(38)39-6)25-11-12-26-31-27(19-29(33(25,26)5)41-23(3)37)32(4)16-17-35(20-24(32)18-28(31)40-22(2)36)44-42-34(43-45-35)14-8-7-9-15-34/h21,24-29,31H,7-20H2,1-6H3/t21 ,24-,25-,26 ,27 ,28-,29+,31 ,32+,33-/m1/s1"	CC(CCC(=O)OC)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CCC5(C4)OOC6(CCCCC6)OO5)C)OC(=O)C)OC(=O)C)C	WESCDBGGMVOYJU-NWKBRAPTSA-N
DG59789	CID 404152	404152	NSC720292; NSC-720292; NCI60_041190	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720292	.	.	.	.	619.8	C34H53NO9	133	1110	6	44	1	9	8	"InChI=1S/C34H53NO9/c1-20(9-12-29(35)38)24-10-11-25-30-26(18-28(32(24,25)5)40-22(3)37)31(4)15-16-34(19-23(31)17-27(30)39-21(2)36)43-41-33(42-44-34)13-7-6-8-14-33/h20,23-28,30H,6-19H2,1-5H3,(H2,35,38)/t20 ,23-,24-,25 ,26 ,27-,28+,30 ,31+,32-/m1/s1"	CC(CCC(=O)N)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CCC5(C4)OOC6(CCCCC6)OO5)C)OC(=O)C)OC(=O)C)C	ATTDEYRJQFTXHA-BEJKWQIXSA-N
DG59790	"N-(n-propyl)-7alpha,2',4',5'-tetraoxacyclohexane)-3'-spiro cyclohexane"	404153	"NSC720293; NSC-720293; NCI60_041191; N-(n-propyl)-7.alpha.,2',4',5'-tetraoxacyclohexane)-3'-spiro cyclohexane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720293	.	.	.	.	661.9	C37H59NO9	119	1160	7.3	47	1	9	10	"InChI=1S/C37H59NO9/c1-7-19-38-32(41)14-11-23(2)27-12-13-28-33-29(21-31(35(27,28)6)43-25(4)40)34(5)17-18-37(22-26(34)20-30(33)42-24(3)39)46-44-36(45-47-37)15-9-8-10-16-36/h23,26-31,33H,7-22H2,1-6H3,(H,38,41)/t23 ,26-,27-,28 ,29 ,30-,31+,33 ,34+,35-/m1/s1"	CCCNC(=O)CCC(C)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CCC5(C4)OOC6(CCCCC6)OO5)C)OC(=O)C)OC(=O)C)C	VYOJHIHCFZNRRM-GTPWXSJUSA-N
DG59791	"N-methylen-(methoxycarbonyl)-7alpha,2',4',5'-tetraoxacyclo hexane)-3'spirocyclohexane"	404154	"NSC720294; NSC-720294; NCI60_041192; N-methylen-(methoxycarbonyl)-7.alpha.,2',4',5'-tetraoxacyclo hexane)-3'spirocyclohexane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720294	.	.	.	.	691.8	C37H57NO11	145	1260	6.3	49	1	11	11	"InChI=1S/C37H57NO11/c1-22(10-13-31(41)38-21-32(42)43-6)26-11-12-27-33-28(19-30(35(26,27)5)45-24(3)40)34(4)16-17-37(20-25(34)18-29(33)44-23(2)39)48-46-36(47-49-37)14-8-7-9-15-36/h22,25-30,33H,7-21H2,1-6H3,(H,38,41)/t22 ,25-,26-,27 ,28 ,29-,30+,33 ,34+,35-/m1/s1"	CC(CCC(=O)NCC(=O)OC)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CCC5(C4)OOC6(CCCCC6)OO5)C)OC(=O)C)OC(=O)C)C	LAZMWWKUMGPAOG-AEWJLTDLSA-N
DG59792	"Methyl-7alpha,2',4',5'-tetraoxacyclohexane)-3'-spiro-1''-(4''-methyl)cyclohexane"	404155	"Methyl-7.alpha.,2',4',5'-tetraoxacyclohexane)-3'-spiro-1''-(4''-methyl)cyclohexane; NSC720295; NSC720296; NSC-720295; NSC-720296; NCI60_041193; NCI60_041194"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720295	.	.	.	.	648.8	C36H56O10	116	1150	7.2	46	0	10	9	"InChI=1S/C36H56O10/c1-21-12-14-35(15-13-21)43-45-36(46-44-35)17-16-33(5)25(20-36)18-29(41-23(3)37)32-27-10-9-26(22(2)8-11-31(39)40-7)34(27,6)30(19-28(32)33)42-24(4)38/h21-22,25-30,32H,8-20H2,1-7H3/t21 ,22 ,25-,26-,27 ,28 ,29-,30+,32 ,33+,34-,35 ,36 /m1/s1"	CC1CCC2(CC1)OOC3(CC[C@]4([C@@H](C3)C[C@H](C5C4C[C@@H]([C@]6(C5CC[C@@H]6C(C)CCC(=O)OC)C)OC(=O)C)OC(=O)C)C)OO2	KWGXYYDWZMLXGP-ILOYHABPSA-N
DG59793	"Methyl-7alpha,2',4',5'-tetraoxacyclohexane)-3'-spiro-1''-(4''-t-butyl)cyclohexane"	404156	"Methyl-7.alpha.,2',4',5'-tetraoxacyclohexane)-3'-spiro-1''-(4''-t-butyl)cyclohexane; CHEMBL1964560; NSC720297; NSC720298; NSC-720297; NSC-720298; NCI60_041195"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720297	.	.	.	.	690.9	C39H62O10	116	1240	8.4	49	0	10	10	"InChI=1S/C39H62O10/c1-23(10-13-33(42)43-9)28-11-12-29-34-30(21-32(37(28,29)8)45-25(3)41)36(7)18-19-39(22-27(36)20-31(34)44-24(2)40)48-46-38(47-49-39)16-14-26(15-17-38)35(4,5)6/h23,26-32,34H,10-22H2,1-9H3/t23 ,26 ,27-,28-,29 ,30 ,31-,32+,34 ,36+,37-,38 ,39 /m1/s1"	CC(CCC(=O)OC)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CCC5(C4)OOC6(CCC(CC6)C(C)(C)C)OO5)C)OC(=O)C)OC(=O)C)C	ZSWHWOUNGHFRGZ-ICZCLJNZSA-N
DG59794	"Methyl-7alpha,2',4',5'-tetraoxacyclohexane)-3'-spirocyclo pentane"	404157	"NSC720299; NSC-720299; NCI60_041196; Methyl-7.alpha.,2',4',5'-tetraoxacyclohexane)-3'-spirocyclo pentane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720299	.	.	.	.	620.8	C34H52O10	116	1110	6.4	44	0	10	9	"InChI=1S/C34H52O10/c1-20(9-12-29(37)38-6)24-10-11-25-30-26(18-28(32(24,25)5)40-22(3)36)31(4)15-16-34(19-23(31)17-27(30)39-21(2)35)43-41-33(42-44-34)13-7-8-14-33/h20,23-28,30H,7-19H2,1-6H3/t20 ,23-,24-,25 ,26 ,27-,28+,30 ,31+,32-/m1/s1"	CC(CCC(=O)OC)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CCC5(C4)OOC6(CCCC6)OO5)C)OC(=O)C)OC(=O)C)C	UBDMUQYNTPAHHZ-BEJKWQIXSA-N
DG59795	"Methyl-7alpha,2',4',5'-tetraoxacyclohexane)-3'-spirocyclo octane"	404158	"NSC720300; NSC-720300; NCI60_041197; Methyl-7.alpha.,2',4',5'-tetraoxacyclohexane)-3'-spirocyclo octane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720300	.	.	.	.	662.8	C37H58O10	116	1150	8	47	0	10	9	"InChI=1S/C37H58O10/c1-23(12-15-32(40)41-6)27-13-14-28-33-29(21-31(35(27,28)5)43-25(3)39)34(4)18-19-37(22-26(34)20-30(33)42-24(2)38)46-44-36(45-47-37)16-10-8-7-9-11-17-36/h23,26-31,33H,7-22H2,1-6H3/t23 ,26-,27-,28 ,29 ,30-,31+,33 ,34+,35-/m1/s1"	CC(CCC(=O)OC)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CCC5(C4)OOC6(CCCCCCC6)OO5)C)OC(=O)C)OC(=O)C)C	DKMPSZABQRXVTG-GTPWXSJUSA-N
DG59796	CID 404160	404160	CHEMBL1974939; NSC720302; NSC720305; NSC-720302; NSC-720305; NCI60_041199; NCI60_041202	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720305	.	.	.	.	633.8	C35H55NO9	133	1140	6.2	45	1	9	8	"InChI=1S/C35H55NO9/c1-20-11-13-34(14-12-20)42-44-35(45-43-34)16-15-32(5)24(19-35)17-28(40-22(3)37)31-26-9-8-25(21(2)7-10-30(36)39)33(26,6)29(18-27(31)32)41-23(4)38/h20-21,24-29,31H,7-19H2,1-6H3,(H2,36,39)/t20 ,21 ,24-,25-,26 ,27 ,28-,29+,31 ,32+,33-,34 ,35 /m1/s1"	CC1CCC2(CC1)OOC3(CC[C@]4([C@@H](C3)C[C@H](C5C4C[C@@H]([C@]6(C5CC[C@@H]6C(C)CCC(=O)N)C)OC(=O)C)OC(=O)C)C)OO2	SFYMERLVGXDHSO-ADTQSVSNSA-N
DG59797	"N-ethyl 7alpha,2',4',5'-tetraoxacyclohexane)-3'-spiro-1''-(4''-methyl)cyclohexane"	404161	"N-ethyl 7.alpha.,2',4',5'-tetraoxacyclohexane)-3'-spiro-1''-(4''-methyl)cyclohexane; CHEMBL1966374; NSC720303; NSC720306; NSC-720303; NSC-720306; NCI60_041200; NCI60_041203"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720303	.	.	.	.	661.9	C37H59NO9	119	1170	7	47	1	9	9	"InChI=1S/C37H59NO9/c1-8-38-32(41)12-9-23(3)27-10-11-28-33-29(20-31(35(27,28)7)43-25(5)40)34(6)17-18-37(21-26(34)19-30(33)42-24(4)39)46-44-36(45-47-37)15-13-22(2)14-16-36/h22-23,26-31,33H,8-21H2,1-7H3,(H,38,41)/t22 ,23 ,26-,27-,28 ,29 ,30-,31+,33 ,34+,35-,36 ,37 /m1/s1"	CCNC(=O)CCC(C)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CCC5(C4)OOC6(CCC(CC6)C)OO5)C)OC(=O)C)OC(=O)C)C	LFYVETSPEPPKAU-KMGDBKJZSA-N
DG59798	"1,6-Bis-(2,6-difluoro-benzyl)-2-(2,6-difluoro-phenyl)-5-methoxy-1H-benzoimidazole"	404168	"NSC720320; CHEMBL1980495; NSC-720320; 1,6-Bis-(2,6-difluoro-benzyl)-2-(2,6-difluoro-phenyl)-5-methoxy-1H-benzoimidazole; NCI60_041205; 1,6-difluorobenzyl)-2-(2,6-difluorophenyl)-5-methoxy-benzimidazole; 2-(2,6-difluorophenyl)-1,6-bis[(2,6-difluorophenyl)methyl]-5-methoxy-benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720320	.	.	.	.	512.4	C28H18F6N2O	27	720	7.2	37	0	8	6	"InChI=1S/C28H18F6N2O/c1-37-26-13-24-25(12-15(26)11-16-18(29)5-2-6-19(16)30)36(14-17-20(31)7-3-8-21(17)32)28(35-24)27-22(33)9-4-10-23(27)34/h2-10,12-13H,11,14H2,1H3"	COC1=CC2=C(C=C1CC3=C(C=CC=C3F)F)N(C(=N2)C4=C(C=CC=C4F)F)CC5=C(C=CC=C5F)F	AUCNWWZUMUMPNC-UHFFFAOYSA-N
DG59799	"1,5-Bis-(2,6-difluoro-benzyl)-2-(2,6-difluoro-phenyl)-6-methoxy-1H-benzoimidazole"	404169	"NSC720321; CHEMBL1987016; NSC-720321; 1,5-Bis-(2,6-difluoro-benzyl)-2-(2,6-difluoro-phenyl)-6-methoxy-1H-benzoimidazole; NCI60_041206; 1,6-difluorobenzyl)-2-(2,6-difluorophenyl)-6-methoxybenzimidazole; 2-(2,6-difluorophenyl)-1,5-bis[(2,6-difluorophenyl)methyl]-6-methoxy-benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720321	.	.	.	.	512.4	C28H18F6N2O	27	720	7.2	37	0	8	6	"InChI=1S/C28H18F6N2O/c1-37-26-13-25-24(12-15(26)11-16-18(29)5-2-6-19(16)30)35-28(27-22(33)9-4-10-23(27)34)36(25)14-17-20(31)7-3-8-21(17)32/h2-10,12-13H,11,14H2,1H3"	COC1=CC2=C(C=C1CC3=C(C=CC=C3F)F)N=C(N2CC4=C(C=CC=C4F)F)C5=C(C=CC=C5F)F	DLUPFJWQGVJYND-UHFFFAOYSA-N
DG59800	"1,5-Bis-(2-chloro-6-fluoro-benzyl)-2-(2-chloro-6-fluoro-phenyl)-6-methoxy-1H-benzoimidazole"	404170	"NSC720322; CHEMBL1984417; NSC-720322; 1,5-Bis-(2-chloro-6-fluoro-benzyl)-2-(2-chloro-6-fluoro-phenyl)-6-methoxy-1H-benzoimidazole; NCI60_041207; 1,5-bis-(2-chloro-6-fluorobenzyl)-2-(2-chloro-6-fluoro-phenyl)-6-methoxy-benzimidazole; 2-(2-chloro-6-fluoro-phenyl)-1,5-bis[(2-chloro-6-fluoro-phenyl)methyl]-6-methoxy-benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720322	.	.	.	.	561.8	C28H18Cl3F3N2O	27	756	8.8	37	0	5	6	"InChI=1S/C28H18Cl3F3N2O/c1-37-26-13-25-24(12-15(26)11-16-18(29)5-2-8-21(16)32)35-28(27-20(31)7-4-10-23(27)34)36(25)14-17-19(30)6-3-9-22(17)33/h2-10,12-13H,11,14H2,1H3"	COC1=CC2=C(C=C1CC3=C(C=CC=C3Cl)F)N=C(N2CC4=C(C=CC=C4Cl)F)C5=C(C=CC=C5Cl)F	WSUDGTASDDXFHU-UHFFFAOYSA-N
DG59801	"1-(3,4-Dihydroxyphenyl)benzimidazole"	404171	"NSC720323; CHEMBL2004067; 1-(3,4-dihydroxyphenyl)benzimidazole; NSC-720323; NCI60_041208; 1-(3,4-Dihydroxybenzyl)-2-(3,4-dihydroxyphenyl)-1H-benzoimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720323	.	.	.	.	348.4	C20H16N2O4	98.7	479	3.3	26	4	5	3	"InChI=1S/C20H16N2O4/c23-16-7-5-12(9-18(16)25)11-22-15-4-2-1-3-14(15)21-20(22)13-6-8-17(24)19(26)10-13/h1-10,23-26H,11H2"	C1=CC=C2C(=C1)N=C(N2CC3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O	VFPPTQXNQGTSLG-UHFFFAOYSA-N
DG59802	"2-(5,7-Trimethoxyindol-2-carbonyl)amino-4H-pyrazolo[1,5-a] indole"	404173	"NSC720326; CHEMBL1998181; NSC-720326; NCI60_041210; 2-(5,7-Trimethoxyindol-2-carbonyl)amino-4H-pyrazolo[1,5-a] indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720326	.	.	.	.	404.4	C22H20N4O4	90.4	636	3.5	30	2	5	5	"InChI=1S/C22H20N4O4/c1-28-17-10-13-9-15(23-19(13)21(30-3)20(17)29-2)22(27)24-18-11-14-8-12-6-4-5-7-16(12)26(14)25-18/h4-7,9-11,23H,8H2,1-3H3,(H,24,25,27)"	COC1=C(C(=C2C(=C1)C=C(N2)C(=O)NC3=NN4C(=C3)CC5=CC=CC=C54)OC)OC	QIZWXQYRUHNGOD-UHFFFAOYSA-N
DG59803	"methyl 2',5'-dihydroxy-3-oxospiro[1H-indene-2,3'-2H-1-benzofuran]-4'-carboxylate"	404178	NSC720329; CHEMBL1970523; NSC-720329; NCI60_041211	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720329	.	.	.	.	326.3	C18H14O6	93.1	548	2.5	24	2	6	2	"InChI=1S/C18H14O6/c1-23-16(21)13-11(19)6-7-12-14(13)18(17(22)24-12)8-9-4-2-3-5-10(9)15(18)20/h2-7,17,19,22H,8H2,1H3"	COC(=O)C1=C(C=CC2=C1C3(CC4=CC=CC=C4C3=O)C(O2)O)O	NYBWDQJIAPXAOO-UHFFFAOYSA-N
DG59804	"Methyl 2-hydroxy-5-methyl-6,11-dioxobenzo[b]carbazole-1-carboxylate"	404185	NSC720336; CHEMBL1976431; NSC-720336; NCI60_041213	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720336	.	.	.	.	335.3	C19H13NO5	85.6	605	3.3	25	1	5	2	"InChI=1S/C19H13NO5/c1-20-11-7-8-12(21)14(19(24)25-2)13(11)15-16(20)18(23)10-6-4-3-5-9(10)17(15)22/h3-8,21H,1-2H3"	CN1C2=C(C3=C1C(=O)C4=CC=CC=C4C3=O)C(=C(C=C2)O)C(=O)OC	VCJIBONNXGZBJQ-UHFFFAOYSA-N
DG59805	"Methyl 2-hydroxy-5-[(2-methoxyphenyl)methyl]-6,11-dioxobenzo[b]carbazole-1-carboxylate"	404187	NSC720338; CHEMBL1990076; NSC-720338; NCI60_041215	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720338	.	.	.	.	441.4	C26H19NO6	94.8	785	4.9	33	1	6	5	"InChI=1S/C26H19NO6/c1-32-19-10-6-3-7-14(19)13-27-17-11-12-18(28)21(26(31)33-2)20(17)22-23(27)25(30)16-9-5-4-8-15(16)24(22)29/h3-12,28H,13H2,1-2H3"	COC1=CC=CC=C1CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)C(=C(C=C3)O)C(=O)OC	YVKQDTLXUXEOEW-UHFFFAOYSA-N
DG59806	"Methyl 5-[(3,5-dimethoxyphenyl)methyl]-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxylate"	404189	NSC720340; CHEMBL1974277; NSC-720340; NCI60_041217	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720340	.	.	.	.	471.5	C27H21NO7	104	820	4.9	35	1	7	6	"InChI=1S/C27H21NO7/c1-33-15-10-14(11-16(12-15)34-2)13-28-19-8-9-20(29)22(27(32)35-3)21(19)23-24(28)26(31)18-7-5-4-6-17(18)25(23)30/h4-12,29H,13H2,1-3H3"	COC1=CC(=CC(=C1)CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)C(=C(C=C3)O)C(=O)OC)OC	FTSDCFBSUWGTNX-UHFFFAOYSA-N
DG59807	"Methyl 2-hydroxy-5-(4-methoxyphenyl)-6,11-dioxobenzo[b]carbazole-1-carboxylate"	404190	NSC720341; CHEMBL1965419; NSC-720341; NCI60_041218	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720341	.	.	.	.	427.4	C25H17NO6	94.8	762	5	32	1	6	4	"InChI=1S/C25H17NO6/c1-31-14-9-7-13(8-10-14)26-17-11-12-18(27)20(25(30)32-2)19(17)21-22(26)24(29)16-6-4-3-5-15(16)23(21)28/h3-12,27H,1-2H3"	COC1=CC=C(C=C1)N2C3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)C(=C(C=C3)O)C(=O)OC	APNKOQNTYRJXTL-UHFFFAOYSA-N
DG59808	"Methyl 5-benzyl-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxylate"	404192	NSC720343; CHEMBL1970046; NSC-720343; NCI60_041220	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720343	.	.	.	.	411.4	C25H17NO5	85.6	731	4.9	31	1	5	4	"InChI=1S/C25H17NO5/c1-31-25(30)20-18(27)12-11-17-19(20)21-22(26(17)13-14-7-3-2-4-8-14)24(29)16-10-6-5-9-15(16)23(21)28/h2-12,27H,13H2,1H3"	COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O)O	WSJKAULYUSRFND-UHFFFAOYSA-N
DG59809	"Methyl 2-hydroxy-5-[(4-methoxyphenyl)methyl]-6,11-dioxobenzo[b]carbazole-1-carboxylate"	404193	NSC720344; CHEMBL1994067; NSC-720344; NCI60_041221	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720344	.	.	.	.	441.4	C26H19NO6	94.8	777	4.9	33	1	6	5	"InChI=1S/C26H19NO6/c1-32-15-9-7-14(8-10-15)13-27-18-11-12-19(28)21(26(31)33-2)20(18)22-23(27)25(30)17-6-4-3-5-16(17)24(22)29/h3-12,28H,13H2,1-2H3"	COC1=CC=C(C=C1)CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)C(=C(C=C3)O)C(=O)OC	XQCXUOLFHSZVMY-UHFFFAOYSA-N
DG59810	4-(4'-Hydroxyphenyl)diazenylbenzenesulfonamide	404195	"4-(4'-Hydroxyphenyl)diazenylbenzenesulfonamide; CHEMBL379206; 4-((4-hydroxyphenyl)diazenyl)benzenesulfonamide; 2497-37-2; NSC720346; azo-sulfonamide, 1a; p-Phenyldiazenyl derivative, 5; BDBM33266; DTXSID60420225; 4'-Hydroxyazobenzene-4-sulfonamide; BDBM50494949; NSC-720346; NCI60_041223; 4-(4-Hydroxy-phenylazo)-benzenesulfonamide; 4-[(E)-(4-hydroxyphenyl)azo]benzenesulfonamide; 4-(4''''-Hydroxyphenyl)Diazenylbenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720346	.	.	.	.	277.3	C12H11N3O3S	114	402	1.8	19	2	6	3	"InChI=1S/C12H11N3O3S/c13-19(17,18)12-7-3-10(4-8-12)15-14-9-1-5-11(16)6-2-9/h1-8,16H,(H2,13,17,18)"	C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)N)O	IPPFWRRJWLCWGK-UHFFFAOYSA-N
DG59811	"4-((3,4-Dihydroxyphenyl)diazenyl)benzenesulfonamide"	404196	"CHEMBL386992; 4-((3,4-dihydroxyphenyl)diazenyl)benzenesulfonamide; NSC720347; 4-(3,4-dihydroxy-phenylazo)-benzenesulfonic acid amide; BDBM50190334; NSC-720347; 99989-56-7; NCI60_041224; 4-(3,4-Dihydroxyphenylazo)benzenesulfonamide; 4-(3,4-Dihydroxy-phenylazo)-benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720347	.	.	.	.	293.3	C12H11N3O4S	134	440	1.6	20	3	7	3	"InChI=1S/C12H11N3O4S/c13-20(18,19)10-4-1-8(2-5-10)14-15-9-3-6-11(16)12(17)7-9/h1-7,16-17H,(H2,13,18,19)"	C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)O)S(=O)(=O)N	OVFNJGSXFVWDJP-UHFFFAOYSA-N
DG59812	"1-(4-Nitrophenyl)-3-methyl-6,7-methylenedioxy-isoquinoline"	404207	"7-methyl-5-(4-nitro-phenyl)-[1,3]dioxolo[4,5-g]isoquinoline; NSC720374; CHEMBL1986661; 1-(4-nitrophenyl)-3-methyl-6,7-methylenedioxy-isoquinoline; NSC-720374; NCI60_041230"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720374	.	.	.	.	308.29	C17H12N2O4	77.2	446	3.8	23	0	5	1	"InChI=1S/C17H12N2O4/c1-10-6-12-7-15-16(23-9-22-15)8-14(12)17(18-10)11-2-4-13(5-3-11)19(20)21/h2-8H,9H2,1H3"	CC1=CC2=CC3=C(C=C2C(=N1)C4=CC=C(C=C4)[N+](=O)[O-])OCO3	BHVKBVYLGQUKEY-UHFFFAOYSA-N
DG59813	"Methyl 2-[6-(4-aminobenzoyl)-1,3-benzodioxol-5-yl]acetate"	404212	NSC720379; CHEMBL1979140; NSC-720379; NCI60_041233	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720379	.	.	.	.	313.3	C17H15NO5	87.8	446	2.2	23	1	6	5	"InChI=1S/C17H15NO5/c1-21-16(19)7-11-6-14-15(23-9-22-14)8-13(11)17(20)10-2-4-12(18)5-3-10/h2-6,8H,7,9,18H2,1H3"	COC(=O)CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)N)OCO2	AMBXHLPSHXSSFU-UHFFFAOYSA-N
DG59814	"2beta,4,17-Trione"	404215	"NSC720382; 2.beta.,4,17-trione; CHEMBL1988550; NSC-720382; NCI60_041234"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720382	.	.	.	.	300.3	C18H20O4	63.7	660	1.6	22	0	4	0	"InChI=1S/C18H20O4/c1-18-7-6-9-8(11(18)4-5-12(18)19)2-3-10-13(9)15(21)17-16(22-17)14(10)20/h8-9,11,16-17H,2-7H2,1H3/t8 ,9 ,11 ,16-,17+,18+/m1/s1"	C[C@]12CCC3C(C1CCC2=O)CCC4=C3C(=O)[C@H]5[C@@H](C4=O)O5	QIEIWVFVOIJSOH-LGTYMXBSSA-N
DG59815	"(2R,3R,5S,7R,9S,17S)-2-hydroxy-17-methyl-4,8-dioxahexacyclo[10.7.0.02,9.03,5.07,9.013,17]nonadecane-6,16-dione"	404217	"NSC720384; NSC-720384; NCI60_041235; 10.beta.-Hydroxy-1.beta.,4.beta.,5.beta.diepoxyestran-3,17-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720384	.	.	.	.	318.4	C18H22O5	79.4	660	0.3	23	1	5	0	"InChI=1S/C18H22O5/c1-16-6-5-10-8(9(16)2-3-11(16)19)4-7-17-14(23-17)12(20)13-15(22-13)18(10,17)21/h8-10,13-15,21H,2-7H2,1H3/t8 ,9 ,10 ,13-,14+,15-,16+,17+,18-/m1/s1"	C[C@]12CCC3C(C1CCC2=O)CC[C@@]45[C@@]3([C@H]6[C@H](O6)C(=O)[C@@H]4O5)O	WRJUMUPFNVUKPZ-YDZBUUAESA-N
DG59816	"N-(n-propyl)-7alpha,2,4,5-tetraoxacyclohexane)-3'-spiro-1''-(4''-methyl)cyclohexane"	404218	"CHEMBL1970452; NSC720385; NSC-720385; NCI60_041236; N-(n-propyl)-7.alpha.,2,4,5-tetraoxacyclohexane)-3'-spiro-1''-(4''-methyl)cyclohexane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720385	.	.	.	.	675.9	C38H61NO9	119	1190	7.5	48	1	9	10	"InChI=1S/C38H61NO9/c1-8-19-39-33(42)12-9-24(3)28-10-11-29-34-30(21-32(36(28,29)7)44-26(5)41)35(6)17-18-38(22-27(35)20-31(34)43-25(4)40)47-45-37(46-48-38)15-13-23(2)14-16-37/h23-24,27-32,34H,8-22H2,1-7H3,(H,39,42)/t23 ,24 ,27-,28-,29 ,30 ,31-,32+,34 ,35+,36-,37 ,38 /m1/s1"	CCCNC(=O)CCC(C)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CCC5(C4)OOC6(CCC(CC6)C)OO5)C)OC(=O)C)OC(=O)C)C	ABAPNRUCCZDZNU-NVFKIIEZSA-N
DG59817	CID 404219	404219	"NSC720386; CHEMBL2002246; NSC-720386; NCI60_041237; Methyl-12.alpha.-acetoxy-5.beta.cholan-24-oate-3-spiro-6'-(1',4',5'-tetraoxacyclohexane)-3'-spirocyclohexane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720386	.	.	.	.	576.8	C33H52O8	89.5	982	7.7	41	0	8	7	"InChI=1S/C33H52O8/c1-21(9-14-29(35)36-5)25-12-13-26-24-11-10-23-20-33(40-38-32(39-41-33)15-7-6-8-16-32)18-17-30(23,3)27(24)19-28(31(25,26)4)37-22(2)34/h21,23-28H,6-20H2,1-5H3/t21 ,23-,24 ,25-,26 ,27 ,28+,30+,31-/m1/s1"	CC(CCC(=O)OC)[C@H]1CCC2[C@@]1([C@H](CC3C2CC[C@H]4[C@@]3(CCC5(C4)OOC6(CCCCC6)OO5)C)OC(=O)C)C	YEHJSRMXSFVFQI-ILVCTZPISA-N
DG59818	"Bis(N-methylen-(methoxycarbonyl)-3-dioxy-7alpha,12alpha-diacetoxy-5beta-cholan-24-amide)"	404220	"Bis(N-methylen-(methoxycarbonyl)-3-dioxy-7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan-24-amide); NSC720387; NSC720388; NSC-720387; NSC-720388; NCI60_041238"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720388	.	.	.	.	1155.4	C62H94N2O18	253	2280	9.3	82	2	18	22	"InChI=1S/C62H94N2O18/c1-33(13-19-51(69)63-31-53(71)73-11)41-15-17-43-55-45(27-49(59(41,43)9)77-37(5)67)57(7)21-23-61(29-39(57)25-47(55)75-35(3)65)79-81-62(82-80-61)24-22-58(8)40(30-62)26-48(76-36(4)66)56-44-18-16-42(34(2)14-20-52(70)64-32-54(72)74-12)60(44,10)50(28-46(56)58)78-38(6)68/h33-34,39-50,55-56H,13-32H2,1-12H3,(H,63,69)(H,64,70)/t33 ,34 ,39-,40-,41-,42-,43 ,44 ,45 ,46 ,47-,48-,49+,50+,55 ,56 ,57+,58+,59-,60-,61 ,62 /m1/s1"	CC(CCC(=O)NCC(=O)OC)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CCC5(C4)OOC6(CC[C@]7([C@@H](C6)C[C@H](C8C7C[C@@H]([C@]9(C8CC[C@@H]9C(C)CCC(=O)NCC(=O)OC)C)OC(=O)C)OC(=O)C)C)OO5)C)OC(=O)C)OC(=O)C)C	XYLMYWIQJPZHDM-OIHFVRGOSA-N
DG59819	"6-ethoxy-2-(3-oxo-5-phenylfuran-2-yl)-4H-1,4-benzothiazin-3-one"	404234	NSC720413; CHEMBL1970807; NSC-720413; NCI60_041242	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720413	.	.	.	.	367.4	C20H17NO4S	89.9	586	3.3	26	1	5	4	"InChI=1S/C20H17NO4S/c1-2-24-13-8-9-17-14(10-13)21-20(23)19(26-17)18-15(22)11-16(25-18)12-6-4-3-5-7-12/h3-11,18-19H,2H2,1H3,(H,21,23)"	CCOC1=CC2=C(C=C1)SC(C(=O)N2)C3C(=O)C=C(O3)C4=CC=CC=C4	ORVDMFFAKNGAAC-UHFFFAOYSA-N
DG59820	Ethyl 3-amino-2-bromo-2-(4-bromo-2-hydroxy-3-oxo-5-phenylfuran-2-yl)-3-oxopropanoate	404238	NSC720416; CHEMBL1992774; NSC-720416; NCI60_041244	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720416	.	.	.	.	463.07	C15H13Br2NO6	116	601	2.4	24	2	6	6	"InChI=1S/C15H13Br2NO6/c1-2-23-13(21)14(17,12(18)20)15(22)11(19)9(16)10(24-15)8-6-4-3-5-7-8/h3-7,22H,2H2,1H3,(H2,18,20)"	CCOC(=O)C(C(=O)N)(C1(C(=O)C(=C(O1)C2=CC=CC=C2)Br)O)Br	HNUYMPXXEANFOK-UHFFFAOYSA-N
DG59821	"1-[2-(3,3-Dimethyl-2-oxobutyl)-2-hydroxy-1,4-benzothiazin-3-yl]-3,3-dimethylbutan-2-one"	404244	NSC720422; CHEMBL1996888; NSC-720422; NCI60_041246	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720422	.	.	.	.	361.5	C20H27NO3S	92	571	4.1	25	1	5	6	"InChI=1S/C20H27NO3S/c1-18(2,3)16(22)11-15-20(24,12-17(23)19(4,5)6)25-14-10-8-7-9-13(14)21-15/h7-10,24H,11-12H2,1-6H3"	CC(C)(C)C(=O)CC1=NC2=CC=CC=C2SC1(CC(=O)C(C)(C)C)O	DPOBZBFEZWWIMT-UHFFFAOYSA-N
DG59822	"3-[2-(4-bromophenyl)-2-oxoethyl]-4a,5,6,7,8,8a-hexahydro-1H-quinoxalin-2-one"	404247	NSC720425; CHEMBL1996187; AKOS024377738; MCULE-9240941763; NSC-720425; NCI60_041249	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720425	.	.	.	.	349.22	C16H17BrN2O2	58.5	455	2.6	21	1	3	3	"InChI=1S/C16H17BrN2O2/c17-11-7-5-10(6-8-11)15(20)9-14-16(21)19-13-4-2-1-3-12(13)18-14/h5-8,12-13H,1-4,9H2,(H,19,21)"	C1CCC2C(C1)NC(=O)C(=N2)CC(=O)C3=CC=C(C=C3)Br	YQAICNWNBGLRNI-UHFFFAOYSA-N
DG59823	"3-[2-(4-Methylphenyl)-2-oxoethyl]pyrido[2,3-b]pyrazin-2(1h)-one"	404248	"NSC720426; TimTec1_002753; Oprea1_544340; CHEMBL1965406; ZINC96966; HMS1541N03; 3-[2-(4-methylphenyl)-2-oxoethyl]-1H-pyrido[2,3-b]pyrazin-2-one; 3-[2-(4-methylphenyl)-2-oxoethyl]pyrido[2,3-b]pyrazin-2(1h)-one; AKOS000582176; MCULE-6503744754; NSC-720426; NCI60_041250; SR-01000370444; SR-01000370444-1; 3-(2-Oxo-2-(p-tolyl)ethyl)pyrido[2,3-b]pyrazin-2(1H)-one; 329717-75-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720426	.	.	.	.	279.29	C16H13N3O2	71.4	452	1.8	21	1	4	3	"InChI=1S/C16H13N3O2/c1-10-4-6-11(7-5-10)14(20)9-13-16(21)19-12-3-2-8-17-15(12)18-13/h2-8H,9H2,1H3,(H,19,21)"	CC1=CC=C(C=C1)C(=O)CC2=NC3=C(C=CC=N3)NC2=O	ZBRBYUQKORENAD-UHFFFAOYSA-N
DG59824	"5-benzoyl-2-(4-nitrophenyl)-6-phenyl-1H-pyridazine-3,4-dione"	404249	NSC720427; CHEMBL1980342; NSC-720427; NCI60_041251	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720427	.	.	.	.	413.4	C23H15N3O5	112	767	4.4	31	1	6	4	"InChI=1S/C23H15N3O5/c27-21(16-9-5-2-6-10-16)19-20(15-7-3-1-4-8-15)24-25(23(29)22(19)28)17-11-13-18(14-12-17)26(30)31/h1-14,24H"	C1=CC=C(C=C1)C2=C(C(=O)C(=O)N(N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4	HGTDDTHEHFIGPI-UHFFFAOYSA-N
DG59825	"1-[5-(3,3-Dimethyl-2-oxobutyl)-2,4,5-trihydroxyfuran-2-yl]-3,3-dimethylbutan-2-one"	404260	NSC720438; CHEMBL1973134; NSC-720438; NCI60_041257	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720438	.	.	.	.	314.37	C16H26O6	104	508	1.4	22	3	6	6	"InChI=1S/C16H26O6/c1-13(2,3)10(17)7-15(20)8-12(19)16(21,22-15)9-11(18)14(4,5)6/h8,19-21H,7,9H2,1-6H3"	CC(C)(C)C(=O)CC1(C=C(C(O1)(CC(=O)C(C)(C)C)O)O)O	QFTDIOIUIPIVFP-UHFFFAOYSA-N
DG59826	"4-Benzoyl-2-dibenzoylmethylene-5-phenyl-2,3-dihydrofuran-3-one"	404266	"NSC720444; CHEMBL1968505; ZINC1663169; AKOS024373160; MCULE-8056838242; NSC-720444; NCI60_041260; 4-benzoyl-2-dibenzoylmethylene-5-phenyl-2,3-dihydrofuran-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720444	.	.	.	.	484.5	C32H20O5	77.5	929	6.4	37	0	5	7	InChI=1S/C32H20O5/c33-27(21-13-5-1-6-14-21)25(28(34)22-15-7-2-8-16-22)32-30(36)26(29(35)23-17-9-3-10-18-23)31(37-32)24-19-11-4-12-20-24/h1-20H	C1=CC=C(C=C1)C2=C(C(=O)C(=C(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)O2)C(=O)C5=CC=CC=C5	PADQDXIIGINEFI-UHFFFAOYSA-N
DG59827	"Pyridazine-3,4(1H,2H)-dione, 5-benzoyl-1,6-diphenyl-"	404272	"NSC720450; CHEMBL1990444; NSC-720450; NCI60_041264; 5-Benzoyl-1,6-diphenyl-1,2-dihydro-3,4-pyridazinedione #; Pyridazine-3,4(1H,2H)-dione, 5-benzoyl-1,6-diphenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720450	.	.	.	.	368.4	C23H16N2O3	66.5	651	4.5	28	1	4	4	"InChI=1S/C23H16N2O3/c26-21(17-12-6-2-7-13-17)19-20(16-10-4-1-5-11-16)25(24-23(28)22(19)27)18-14-8-3-9-15-18/h1-15H,(H,24,28)"	C1=CC=C(C=C1)C2=C(C(=O)C(=O)NN2C3=CC=CC=C3)C(=O)C4=CC=CC=C4	ZEZNXEJCMWBVFC-UHFFFAOYSA-N
DG59828	"Prop-2-enyl 6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate"	404276	NSC720459; CHEMBL1982677; NSC-720459; NCI60_041268	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720459	.	.	.	.	329.13	C13H10Cl2N2O4	72.7	508	2.4	21	0	5	4	"InChI=1S/C13H10Cl2N2O4/c1-3-4-21-13(18)12-7(2)16(19)10-5-8(14)9(15)6-11(10)17(12)20/h3,5-6H,1,4H2,2H3"	CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)OCC=C	MPFZCKDAKDLQAA-UHFFFAOYSA-N
DG59829	Benzyl 3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate	404279	NSC720462; CHEMBL1673139; NSC-720462; NCI60_041269	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720462	.	.	.	.	310.3	C17H14N2O4	72.7	511	2	23	0	5	4	"InChI=1S/C17H14N2O4/c1-12-16(17(20)23-11-13-7-3-2-4-8-13)19(22)15-10-6-5-9-14(15)18(12)21/h2-10H,11H2,1H3"	CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)OCC3=CC=CC=C3	XJBAFJDKHHHXER-UHFFFAOYSA-N
DG59830	"(6,7-Dichloro-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-phenyl-methanone"	404284	"NSC720465; CHEMBL1774796; NSC-720465; NCI60_041270; (6,7-Dichloro-3-methyl-1,4-dioxy-quinoxalin-2-yl)-phenyl-methanone; (6,7-dichloro-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-phenyl-methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720465	.	.	.	.	349.2	C16H10Cl2N2O3	63.4	545	3.2	23	0	4	2	"InChI=1S/C16H10Cl2N2O3/c1-9-15(16(21)10-5-3-2-4-6-10)20(23)14-8-12(18)11(17)7-13(14)19(9)22/h2-8H,1H3"	CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)C3=CC=CC=C3	CGXSVXICYBGCHV-UHFFFAOYSA-N
DG59831	"2-Quinoxalinecarboxylic acid, 6,7-dichloro-3-methyl-, ethyl ester, 1,4-dioxide"	404287	"NSC720468; CHEMBL1673136; NSC-720468; 2-Quinoxalinecarboxylic acid, 6,7-dichloro-3-methyl-, ethyl ester, 1,4-dioxide; NCI60_041272; 2-(Ethoxycarbonyl)-3-methyl-6,7-dichloroquinoxaline 1,4-dioxide; ethyl 6,7-dichloro-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720468	.	.	.	.	317.12	C12H10Cl2N2O4	72.7	468	2.1	20	0	5	3	"InChI=1S/C12H10Cl2N2O4/c1-3-20-12(17)11-6(2)15(18)9-4-7(13)8(14)5-10(9)16(11)19/h4-5H,3H2,1-2H3"	CCOC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)Cl)Cl)[O-])C	NNTWXNHORDOYGA-UHFFFAOYSA-N
DG59832	"N-[2-(dimethylamino)ethyl]-2-hydroxy-5-[(2-methoxyphenyl)methyl]-6,11-dioxobenzo[b]carbazole-1-carboxamide"	404302	NSC720484; CHEMBL1975148; NSC-720484; NCI60_041276	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720484	.	.	.	.	497.5	C29H27N3O5	101	865	4.4	37	2	6	7	"InChI=1S/C29H27N3O5/c1-31(2)15-14-30-29(36)24-21(33)13-12-20-23(24)25-26(28(35)19-10-6-5-9-18(19)27(25)34)32(20)16-17-8-4-7-11-22(17)37-3/h4-13,33H,14-16H2,1-3H3,(H,30,36)"	CN(C)CCNC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=C4OC)C(=O)C5=CC=CC=C5C3=O)O	XEHSDXOSPQHXOZ-UHFFFAOYSA-N
DG59833	"5-[(3,5-dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxamide"	404303	NSC720485; CHEMBL1975301; NSC-720485; NCI60_041277	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720485	.	.	.	.	527.6	C30H29N3O6	110	901	4.3	39	2	7	8	"InChI=1S/C30H29N3O6/c1-32(2)12-11-31-30(37)25-23(34)10-9-22-24(25)26-27(29(36)21-8-6-5-7-20(21)28(26)35)33(22)16-17-13-18(38-3)15-19(14-17)39-4/h5-10,13-15,34H,11-12,16H2,1-4H3,(H,31,37)"	CN(C)CCNC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC(=CC(=C4)OC)OC)C(=O)C5=CC=CC=C5C3=O)O	ZRZVXPWVWQBEGS-UHFFFAOYSA-N
DG59834	"N-[2-(dimethylamino)ethyl]-2-hydroxy-6,11-dioxo-5-(2-phenylethyl)benzo[b]carbazole-1-carboxamide"	404304	NSC720486; CHEMBL1989896; NSC-720486; NCI60_041278	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720486	.	.	.	.	481.5	C29H27N3O4	91.6	825	4.7	36	2	5	7	"InChI=1S/C29H27N3O4/c1-31(2)17-15-30-29(36)24-22(33)13-12-21-23(24)25-26(32(21)16-14-18-8-4-3-5-9-18)28(35)20-11-7-6-10-19(20)27(25)34/h3-13,33H,14-17H2,1-2H3,(H,30,36)"	CN(C)CCNC(=O)C1=C(C=CC2=C1C3=C(N2CCC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O)O	FGVQLZDPDNQNNR-UHFFFAOYSA-N
DG59835	"ethyl 7-benzyl-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate"	404307	NSC720489; CHEMBL1968420; NSC-720489; NCI60_041279	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720489	.	.	.	.	472.5	C27H24N2O6	104	1010	2.2	35	1	7	6	"InChI=1S/C27H24N2O6/c1-3-35-24(32)21-17(2)28(16-18-10-6-4-7-11-18)26(34)15-14-20(30)22-23(31)29(25(33)27(21,22)26)19-12-8-5-9-13-19/h4-15,22,34H,3,16H2,1-2H3"	CCOC(=O)C1=C(N(C2(C13C(C(=O)C=C2)C(=O)N(C3=O)C4=CC=CC=C4)O)CC5=CC=CC=C5)C	DDYYWSQQAFVCEL-UHFFFAOYSA-N
DG59836	"[6,11-Diacetyloxy-5-[(3-methylphenyl)methyl]benzo[b]carbazol-2-yl] acetate"	404308	NSC720490; CHEMBL1967393; NSC-720490; NCI60_041280	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720490	.	.	.	.	495.5	C30H25NO6	83.8	861	5.5	37	0	6	8	"InChI=1S/C30H25NO6/c1-17-8-7-9-21(14-17)16-31-26-13-12-22(35-18(2)32)15-25(26)27-28(31)30(37-20(4)34)24-11-6-5-10-23(24)29(27)36-19(3)33/h5-15H,16H2,1-4H3"	CC1=CC(=CC=C1)CN2C3=C(C=C(C=C3)OC(=O)C)C4=C(C5=CC=CC=C5C(=C42)OC(=O)C)OC(=O)C	ARIJSAZJBZZOOY-UHFFFAOYSA-N
DG59837	"Methyl 2,6-diacetyloxy-5-methylbenzo[b]carbazole-1-carboxylate"	404309	NSC720491; CHEMBL1992401; NSC-720491; NCI60_041281	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720491	.	.	.	.	405.4	C23H19NO6	83.8	695	3.6	30	0	6	6	"InChI=1S/C23H19NO6/c1-12(25)29-18-10-9-17-19(20(18)23(27)28-4)16-11-14-7-5-6-8-15(14)22(30-13(2)26)21(16)24(17)3/h5-11H,1-4H3"	CC(=O)OC1=C(C2=C(C=C1)N(C3=C(C4=CC=CC=C4C=C23)OC(=O)C)C)C(=O)OC	HXRGTDJRGNMQBN-UHFFFAOYSA-N
DG59838	"Methyl 2,6,11-triacetyloxy-5-methylbenzo[b]carbazole-1-carboxylate"	404310	NSC720492; CHEMBL1975350; NSC-720492; NCI60_041282	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720492	.	.	.	.	463.4	C25H21NO8	110	830	3.4	34	0	8	8	"InChI=1S/C25H21NO8/c1-12(27)32-18-11-10-17-19(20(18)25(30)31-5)21-22(26(17)4)24(34-14(3)29)16-9-7-6-8-15(16)23(21)33-13(2)28/h6-11H,1-5H3"	CC(=O)OC1=C(C2=C(C=C1)N(C3=C(C4=CC=CC=C4C(=C23)OC(=O)C)OC(=O)C)C)C(=O)OC	DXKROOJCHRZXCL-UHFFFAOYSA-N
DG59839	"Methyl 2-acetyloxy-5-methyl-6,11-dioxobenzo[b]carbazole-1-carboxylate"	404311	NSC720493; CHEMBL1988544; NSC-720493; NCI60_041283	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720493	.	.	.	.	377.3	C21H15NO6	91.7	705	2.9	28	0	6	4	"InChI=1S/C21H15NO6/c1-10(23)28-14-9-8-13-15(16(14)21(26)27-3)17-18(22(13)2)20(25)12-7-5-4-6-11(12)19(17)24/h4-9H,1-3H3"	CC(=O)OC1=C(C2=C(C=C1)N(C3=C2C(=O)C4=CC=CC=C4C3=O)C)C(=O)OC	VMJOJQRDSMBNTK-UHFFFAOYSA-N
DG59840	"Methyl 2,6,11-triacetyloxy-5-[(3,5-dimethoxyphenyl)methyl]benzo[b]carbazole-1-carboxylate"	404313	NSC720495; CHEMBL2006666; NSC-720495; NCI60_041284	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720495	.	.	.	.	599.6	C33H29NO10	129	1060	4.9	44	0	10	12	"InChI=1S/C33H29NO10/c1-17(35)42-26-12-11-25-27(28(26)33(38)41-6)29-30(34(25)16-20-13-21(39-4)15-22(14-20)40-5)32(44-19(3)37)24-10-8-7-9-23(24)31(29)43-18(2)36/h7-15H,16H2,1-6H3"	CC(=O)OC1=C(C2=C(C=C1)N(C3=C(C4=CC=CC=C4C(=C23)OC(=O)C)OC(=O)C)CC5=CC(=CC(=C5)OC)OC)C(=O)OC	YENBKIUGSOWGON-UHFFFAOYSA-N
DG59841	"Methyl 2,6,11-triacetyloxy-5-benzylbenzo[b]carbazole-1-carboxylate"	404315	NSC720497; CHEMBL1989171; NSC-720497; NCI60_041285	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720497	.	.	.	.	539.5	C31H25NO8	110	963	5	40	0	8	10	"InChI=1S/C31H25NO8/c1-17(33)38-24-15-14-23-25(26(24)31(36)37-4)27-28(32(23)16-20-10-6-5-7-11-20)30(40-19(3)35)22-13-9-8-12-21(22)29(27)39-18(2)34/h5-15H,16H2,1-4H3"	CC(=O)OC1=C(C2=C(C=C1)N(C3=C(C4=CC=CC=C4C(=C23)OC(=O)C)OC(=O)C)CC5=CC=CC=C5)C(=O)OC	CHGOODVQWODTQL-UHFFFAOYSA-N
DG59842	"N-(6'-Chrysenyl)-4-(1'-piperidinyl)-D-2,4-dicarboximide"	404330	"NSC720529; CHEMBL1978386; NSC-720529; NCI60_041291; N-(6'-Chrysenyl)-4-(1'-piperidinyl)-D-2,4-dicarboximide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720529	.	.	.	.	482.6	C30H30N2O4	67.9	824	5.5	36	1	4	3	"InChI=1S/C30H30N2O4/c1-30(2)35-26(27(36-30)29(34)32-16-8-3-9-17-32)28(33)31-25-18-24-20-11-5-4-10-19(20)14-15-22(24)21-12-6-7-13-23(21)25/h4-7,10-15,18,26-27H,3,8-9,16-17H2,1-2H3,(H,31,33)"	CC1(OC(C(O1)C(=O)N2CCCCC2)C(=O)NC3=CC4=C(C=CC5=CC=CC=C54)C6=CC=CC=C63)C	BTAWMAVYABIPDI-UHFFFAOYSA-N
DG59843	Cis-N-(1'-Phenyl)-3-acetoxy-4-phenanthrenyl-2-azetidinone	404331	NSC720530; CHEMBL1973573; NSC-720530; NCI60_041292; Cis-N-(1'-Phenyl)-3-acetoxy-4-phenanthrenyl-2-azetidinone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720530	.	.	.	.	381.4	C25H19NO3	46.6	628	5	29	0	3	4	"InChI=1S/C25H19NO3/c1-16(27)29-24-23(26(25(24)28)18-10-3-2-4-11-18)22-15-17-9-5-6-12-19(17)20-13-7-8-14-21(20)22/h2-15,23-24H,1H3/t23-,24+/m1/s1"	CC(=O)O[C@H]1[C@H](N(C1=O)C2=CC=CC=C2)C3=CC4=CC=CC=C4C5=CC=CC=C53	DNJQJRRCCSUMDW-RPWUZVMVSA-N
DG59844	"N,12'-Chrysenyl)-bis[4-(4'N-methyl-piperazinyl)-butane-1,4-diamine.hydrochloride"	404332	"NSC720531; CHEMBL1253474; NSC-720531; N,12'-Chrysenyl)-bis[4-(4'N-methyl-piperazinyl)-butane -1,4-diamine.hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720531	.	.	.	.	603.3	C36H51ClN6	37	713	.	43	3	6	12	"InChI=1S/C36H50N6.ClH/c1-39-19-23-41(24-20-39)17-9-7-15-37-35-27-33-30-12-4-6-14-32(30)36(28-34(33)29-11-3-5-13-31(29)35)38-16-8-10-18-42-25-21-40(2)22-26-42;/h3-6,11-14,27-28,37-38H,7-10,15-26H2,1-2H3;1H"	CN1CCN(CC1)CCCCNC2=CC3=C(C=C(C4=CC=CC=C43)NCCCCN5CCN(CC5)C)C6=CC=CC=C62.Cl	ZPOPTUDQSXBXAY-UHFFFAOYSA-N
DG59845	"6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole;hydrochloride"	404345	NSC720538; NSC-720538; 2-(6-(2-imidazolino)-2-benzthiazolyl)-5-(4-(2-imidazolino)ph enyl)thiophene dihydrochloride dihydrate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720538	.	.	.	.	466	C23H20ClN5S2	118	689	.	31	3	5	4	"InChI=1S/C23H19N5S2.ClH/c1-3-15(21-24-9-10-25-21)4-2-14(1)18-7-8-19(29-18)23-28-17-6-5-16(13-20(17)30-23)22-26-11-12-27-22;/h1-8,13H,9-12H2,(H,24,25)(H,26,27);1H"	C1CN=C(N1)C2=CC=C(C=C2)C3=CC=C(S3)C4=NC5=C(S4)C=C(C=C5)C6=NCCN6.Cl	RTGNNVGNNHFRNE-UHFFFAOYSA-N
DG59846	"1-[4-(Furo[2,3-b]quinolin-4-ylamino)phenyl]ethanone"	404353	"CIL-102; 479077-76-4; 1-[4-(Furo[2,3-b]quinolin-4-ylamino)phenyl]ethanone; MFCD08277043; Ethanone, 1-[4-(furo[2,3-b]quinolin-4-ylamino)phenyl]-; 1-(4-(furo[2,3-b]quinolin-4-ylamino)phenyl)ethanone; NSC720555; CHEMBL590958; SCHEMBL6712768; DTXSID80328052; ZINC12948054; AKOS025394700; NSC-720555; NCI60_041299; CIL-102, >=95% (HPLC), solid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720555	.	.	.	.	302.3	C19H14N2O2	55.1	433	3.9	23	1	4	3	"InChI=1S/C19H14N2O2/c1-12(22)13-6-8-14(9-7-13)20-18-15-4-2-3-5-17(15)21-19-16(18)10-11-23-19/h2-11H,1H3,(H,20,21)"	CC(=O)C1=CC=C(C=C1)NC2=C3C=COC3=NC4=CC=CC=C42	VJDPGTFIMDGXDQ-UHFFFAOYSA-N
DG59847	"1-[3-(Furo[2,3-b]quinolin-4-ylamino)phenyl]ethanone"	404356	NSC720558; SCHEMBL6711317; CHEMBL1989073; NSC-720558; NCI60_041302	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720558	.	.	.	.	302.3	C19H14N2O2	55.1	441	3.9	23	1	4	3	"InChI=1S/C19H14N2O2/c1-12(22)13-5-4-6-14(11-13)20-18-15-7-2-3-8-17(15)21-19-16(18)9-10-23-19/h2-11H,1H3,(H,20,21)"	CC(=O)C1=CC(=CC=C1)NC2=C3C=COC3=NC4=CC=CC=C42	JFBYYKNJECRFJQ-UHFFFAOYSA-N
DG59848	"3-Amino-5-[(furo[2,3-b]quinoline-4-yl)amino]benzenemethanol"	404357	"NSC720559; SCHEMBL6711241; CHEMBL1979492; NSC-720559; NCI60_041303; 3-Amino-5-[(furo[2,3-b]quinoline-4-yl)amino]benzenemethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720559	.	.	.	.	305.3	C18H15N3O2	84.3	408	2.7	23	3	5	3	"InChI=1S/C18H15N3O2/c19-12-7-11(10-22)8-13(9-12)20-17-14-3-1-2-4-16(14)21-18-15(17)5-6-23-18/h1-9,22H,10,19H2,(H,20,21)"	C1=CC=C2C(=C1)C(=C3C=COC3=N2)NC4=CC(=CC(=C4)N)CO	YCFIAULVRSVPSM-UHFFFAOYSA-N
DG59849	"1-[4-(Furo[3,2-c]quinolin-4-ylamino)phenyl]ethanone"	404358	NSC720560; CHEMBL1966167; NSC-720560; NCI60_041304	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720560	.	.	.	.	302.3	C19H14N2O2	55.1	433	4.2	23	1	4	3	"InChI=1S/C19H14N2O2/c1-12(22)13-6-8-14(9-7-13)20-19-16-10-11-23-18(16)15-4-2-3-5-17(15)21-19/h2-11H,1H3,(H,20,21)"	CC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4	LOVKQCYLYQTTRO-UHFFFAOYSA-N
DG59850	"5-[4-(Furo[3,2-c]quinolin-4-ylamino)phenyl]-5-methyl-3-methylideneoxolan-2-one"	404361	NSC720563; CHEMBL1979086; NSC-720563; NCI60_041307	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720563	.	.	.	.	370.4	C23H18N2O3	64.4	629	5	28	1	5	3	"InChI=1S/C23H18N2O3/c1-14-13-23(2,28-22(14)26)15-7-9-16(10-8-15)24-21-18-11-12-27-20(18)17-5-3-4-6-19(17)25-21/h3-12H,1,13H2,2H3,(H,24,25)"	CC1(CC(=C)C(=O)O1)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4C5=C3C=CO5	JAVZRWSGWYSQKU-UHFFFAOYSA-N
DG59851	"1-[3-(Furo[3,2-c]quinolin-4-ylamino)phenyl]ethanone"	404362	NSC720564; SCHEMBL7267860; CHEMBL1998325; NSC-720564; NCI60_041308	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720564	.	.	.	.	302.3	C19H14N2O2	55.1	441	4.2	23	1	4	3	"InChI=1S/C19H14N2O2/c1-12(22)13-5-4-6-14(11-13)20-19-16-9-10-23-18(16)15-7-2-3-8-17(15)21-19/h2-11H,1H3,(H,20,21)"	CC(=O)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4	VAGPVTFGSRSZQL-UHFFFAOYSA-N
DG59852	"5-[3-(Furo[3,2-c]quinolin-4-ylamino)phenyl]-5-methyl-3-methylideneoxolan-2-one"	404365	NSC720567; CHEMBL2002148; NSC-720567; NCI60_041311	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720567	.	.	.	.	370.4	C23H18N2O3	64.4	637	5	28	1	5	3	"InChI=1S/C23H18N2O3/c1-14-13-23(2,28-22(14)26)15-6-5-7-16(12-15)24-21-18-10-11-27-20(18)17-8-3-4-9-19(17)25-21/h3-12H,1,13H2,2H3,(H,24,25)"	CC1(CC(=C)C(=O)O1)C2=CC(=CC=C2)NC3=NC4=CC=CC=C4C5=C3C=CO5	SZYYPLJCVPVSAB-UHFFFAOYSA-N
DG59853	4-Acridin-9-yloxybenzaldehyde	404366	NSC720570; CHEMBL140382; NSC-720570; NCI60_041313	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720570	.	.	.	.	299.3	C20H13NO2	39.2	382	4.5	23	0	3	3	InChI=1S/C20H13NO2/c22-13-14-9-11-15(12-10-14)23-20-16-5-1-3-7-18(16)21-19-8-4-2-6-17(19)20/h1-13H	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)OC4=CC=C(C=C4)C=O	VINJFCHLENRFGN-UHFFFAOYSA-N
DG59854	1-(4-Acridin-9-yloxyphenyl)ethanone	404367	NSC720571; CHEMBL143667; NSC-720571; NCI60_041314	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720571	.	.	.	.	313.3	C21H15NO2	39.2	421	4.7	24	0	3	3	"InChI=1S/C21H15NO2/c1-14(23)15-10-12-16(13-11-15)24-21-17-6-2-4-8-19(17)22-20-9-5-3-7-18(20)21/h2-13H,1H3"	CC(=O)C1=CC=C(C=C1)OC2=C3C=CC=CC3=NC4=CC=CC=C42	IFNCLUIRBZQNJU-UHFFFAOYSA-N
DG59855	4-[(4-Sulfamoyl-phenylimino)-methyl]-benzoic acid methyl ester	404376	CHEMBL406434; NSC720587; BDBM50371767; NSC-720587; NCI60_041315; 4-[(4-Sulfamoyl-phenylimino)-methyl]-benzoic acid methyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720587	.	.	.	.	318.3	C15H14N2O4S	107	496	1.9	22	1	6	5	"InChI=1S/C15H14N2O4S/c1-21-15(18)12-4-2-11(3-5-12)10-17-13-6-8-14(9-7-13)22(16,19)20/h2-10H,1H3,(H2,16,19,20)"	COC(=O)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)N	YZEOAYHOGOIEAH-UHFFFAOYSA-N
DG59856	Oncocalyxone A	404386	"Oncocalyxone A; CHEMBL1975567; NSC720597; NSC-720597; NCI60_041320; (8R,8aS)-7,8,8a,9-Tetrahydro-8-hydroxy-5-(hydroxymethyl)-2-methoxy-8a-methyl-1,4-anthracenedione; rel-8.alpha.hydroxy-5-hydroxymethyl-8a.beta.-methyl-2-methoxy-7,8a,9-tetrahydro-1,4-anthracenedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720597	.	.	.	.	302.32	C17H18O5	83.8	692	0.1	22	2	5	2	"InChI=1S/C17H18O5/c1-17-7-11-10(13(19)6-14(22-2)16(11)21)5-12(17)9(8-18)3-4-15(17)20/h3,5-6,15,18,20H,4,7-8H2,1-2H3/t15-,17+/m1/s1"	C[C@]12CC3=C(C=C1C(=CC[C@H]2O)CO)C(=O)C=C(C3=O)OC	MRGIIGDGPRVYJG-WBVHZDCISA-N
DG59857	"8-(5-amino-3-phenylpyrazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione"	404394	NSC720611; CHEMBL1994873; NSC-720611; NCI60_041323	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720611	.	.	.	.	337.34	C16H15N7O2	113	553	1.2	25	2	5	2	"InChI=1S/C16H15N7O2/c1-21-13-12(14(24)22(2)16(21)25)18-15(19-13)23-11(17)8-10(20-23)9-6-4-3-5-7-9/h3-8H,17H2,1-2H3,(H,18,19)"	CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3C(=CC(=N3)C4=CC=CC=C4)N	WOCNOHINDTULBH-UHFFFAOYSA-N
DG59858	"8-[5-amino-3-(4-methylphenyl)pyrazol-1-yl]-1,3-dimethyl-7H-purine-2,6-dione"	404395	NSC720612; CHEMBL1991108; NSC-720612; NCI60_041324	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720612	.	.	.	.	351.4	C17H17N7O2	113	580	1.6	26	2	5	2	"InChI=1S/C17H17N7O2/c1-9-4-6-10(7-5-9)11-8-12(18)24(21-11)16-19-13-14(20-16)22(2)17(26)23(3)15(13)25/h4-8H,18H2,1-3H3,(H,19,20)"	CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C	NIRFZBFWBQKPAE-UHFFFAOYSA-N
DG59859	"8-[5-Amino-3-(4-chlorophenyl)pyrazol-1-yl]-1,3,7-trimethylpurine-2,6-dione"	404397	NSC720614; CHEMBL1965569; NSC-720614; NCI60_041325	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720614	.	.	.	.	385.8	C17H16ClN7O2	102	614	1.8	27	1	5	2	"InChI=1S/C17H16ClN7O2/c1-22-13-14(23(2)17(27)24(3)15(13)26)20-16(22)25-12(19)8-11(21-25)9-4-6-10(18)7-5-9/h4-8H,19H2,1-3H3"	CN1C2=C(N=C1N3C(=CC(=N3)C4=CC=C(C=C4)Cl)N)N(C(=O)N(C2=O)C)C	OQXGYTHCMPEUJK-UHFFFAOYSA-N
DG59860	"8-Chloro-3-(3,2,4-triazol o[4,3-b][1,2,4]benzodithiazine-5,5-dioxide"	404436	"NSC720641; CHEMBL2000005; NSC-720641; NCI60_041343; 8-chloro-3-(3,2,4-triazol o[4,3-b][1,2,4]benzodithiazine-5,5-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720641	.	.	.	.	438.9	C17H15ClN4O4S2	129	654	3.9	28	1	8	4	"InChI=1S/C17H15ClN4O4S2/c1-9-4-15-14(8-13(9)18)27-17-21-20-16(22(17)28(15,23)24)19-10-5-11(25-2)7-12(6-10)26-3/h4-8H,1-3H3,(H,19,20)"	CC1=CC2=C(C=C1Cl)SC3=NN=C(N3S2(=O)=O)NC4=CC(=CC(=C4)OC)OC	JTJKRUAONDGUQN-UHFFFAOYSA-N
DG59861	"8-Chloro-3-phenylamino-7-methoxycarbonyl-1,4-triazolo[4,3-b][1,2,4]benzodithiazine 5,5-dioxide"	404437	"NSC720642; CHEMBL1977111; NSC-720642; NCI60_041344; 8-chloro-3-phenylamino-7-methoxycarbonyl-1,4-triazolo[4,3- b][1,2,4]benzodithiazine 5,5-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720642	.	.	.	.	422.9	C16H11ClN4O4S2	137	670	3.5	27	1	8	4	"InChI=1S/C16H11ClN4O4S2/c1-25-14(22)10-7-13-12(8-11(10)17)26-16-20-19-15(21(16)27(13,23)24)18-9-5-3-2-4-6-9/h2-8H,1H3,(H,18,19)"	COC(=O)C1=CC2=C(C=C1Cl)SC3=NN=C(N3S2(=O)=O)NC4=CC=CC=C4	HJBCCCULLYRLMA-UHFFFAOYSA-N
DG59862	"2(3H)-thiazolethione, 4-amino-5-(2-benzoxazolyl)-3-butyl-"	404451	"NSC720657; CHEMBL1981083; 2(3H)-thiazolethione, 4-amino-5-(2-benzoxazolyl)-3-butyl-; NSC-720657; NCI60_041349; 4-amino-5-(1,3-benzoxazol-2-yl)-3-butyl-thiazole-2-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720657	.	.	.	.	305.4	C14H15N3OS2	113	427	3.3	20	1	5	4	"InChI=1S/C14H15N3OS2/c1-2-3-8-17-12(15)11(20-14(17)19)13-16-9-6-4-5-7-10(9)18-13/h4-7H,2-3,8,15H2,1H3"	CCCCN1C(=C(SC1=S)C2=NC3=CC=CC=C3O2)N	GXQUPLDZEIBMRH-UHFFFAOYSA-N
DG59863	"2(3H)-thiazolethione, 4-amino-5-(2-benzoxazolyl)-3-(4-chlorophenyl)-"	404453	"NSC720659; CHEMBL1998621; 2(3H)-thiazolethione, 4-amino-5-(2-benzoxazolyl)-3-(4-chlorophenyl)-; NSC-720659; NCI60_041350; 4-amino-5-(1,3-benzoxazol-2-yl)-3-(4-chlorophenyl)thiazole-2-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720659	.	.	.	.	359.9	C16H10ClN3OS2	113	522	4.3	23	1	5	2	"InChI=1S/C16H10ClN3OS2/c17-9-5-7-10(8-6-9)20-14(18)13(23-16(20)22)15-19-11-3-1-2-4-12(11)21-15/h1-8H,18H2"	C1=CC=C2C(=C1)N=C(O2)C3=C(N(C(=S)S3)C4=CC=C(C=C4)Cl)N	MZTLBUMMRXORCS-UHFFFAOYSA-N
DG59864	[[2-Oxo-1-(triphenyl-lambda5-phosphanylidene)propyl]-phenyl-lambda3-iodanyl] 4-methylbenzenesulfonate	404461	NSC720673; CHEMBL1993922; NSC-720673; NCI60_041355	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720673	.	.	.	.	692.5	C34H30IO4PS	68.8	952	7.8	41	0	4	9	"InChI=1S/C34H30IO4PS/c1-27-23-25-33(26-24-27)41(37,38)39-35(29-15-7-3-8-16-29)34(28(2)36)40(30-17-9-4-10-18-30,31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-26H,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)C(=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C	COSKTJZVTYCYMI-UHFFFAOYSA-N
DG59865	Methyl 2-[(4-methylphenyl)sulfonyloxy-phenyl-lambda3-iodanyl]-2-(triphenyl-lambda5-phosphanylidene)acetate	404462	NSC720674; CHEMBL1968330; NSC-720674; NCI60_041356	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720674	.	.	.	.	708.5	C34H30IO5PS	78	970	8.2	42	0	5	10	"InChI=1S/C34H30IO5PS/c1-27-23-25-32(26-24-27)42(37,38)40-35(28-15-7-3-8-16-28)33(34(36)39-2)41(29-17-9-4-10-18-29,30-19-11-5-12-20-30)31-21-13-6-14-22-31/h3-26H,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)C(=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC	JCVZNIJGAOVPCQ-UHFFFAOYSA-N
DG59866	NSC720688	404463	"16-[2-(Dimethylamino)ethyl]-5-methoxy-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione;hydrochloride; NSC720688; CHEMBL1978173; NSC-720688"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720688	.	.	.	.	525	C27H33ClN6O3	74.2	834	.	37	1	6	7	"InChI=1S/C27H32N6O3.ClH/c1-29(2)13-15-31-26(34)19-8-10-22-23-24(28-32(22)16-14-30-11-5-4-6-12-30)20-17-18(36-3)7-9-21(20)33(25(19)23)27(31)35;/h7-10,17H,4-6,11-16H2,1-3H3;1H"	CN(C)CCN1C(=O)C2=C3C4=C(C=C2)N(N=C4C5=C(N3C1=O)C=CC(=C5)OC)CCN6CCCCC6.Cl	PSYXROSCXSGMJC-UHFFFAOYSA-N
DG59867	"(2R,3R)-2,3-bis(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one"	404468	NSC720700; CHEMBL1991493; NSC-720700; NCI60_041360	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720700	.	.	.	.	392.4	C24H24O5	54	536	2.9	29	0	5	8	"InChI=1S/C24H24O5/c25-21-11-13-24(14-12-21)28-22(17-26-15-19-7-3-1-4-8-19)23(29-24)18-27-16-20-9-5-2-6-10-20/h1-14,22-23H,15-18H2/t22-,23-/m1/s1"	C1=CC=C(C=C1)COC[C@@H]2[C@H](OC3(O2)C=CC(=O)C=C3)COCC4=CC=CC=C4	ZIKRNDNVOAMMLC-DHIUTWEWSA-N
DG59868	"(2R,3R)-2,3-dibenzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one"	404470	"MLS002702492; SMR001566053; NSC720702; (2R,3R)-2,3-dibenzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one; cid_404470; CHEMBL1704703; BDBM83279; NSC-720702; NCI60_041362; SR-01000880577; SR-01000880577-2; (2R,3R)-2,3-bis(phenylmethyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one; (2R,3R)-2,3-Dibenzyl-1,4-dioxaspiro[4.5]decane-6,9-diene-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720702	.	.	.	.	332.4	C22H20O3	35.5	477	4.1	25	0	3	4	"InChI=1S/C22H20O3/c23-19-11-13-22(14-12-19)24-20(15-17-7-3-1-4-8-17)21(25-22)16-18-9-5-2-6-10-18/h1-14,20-21H,15-16H2/t20-,21-/m1/s1"	C1=CC=C(C=C1)C[C@@H]2[C@H](OC3(O2)C=CC(=O)C=C3)CC4=CC=CC=C4	UQYRAZQBGUKVIA-NHCUHLMSSA-N
DG59869	"(2S,3S)-2,3-bis[(2-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one"	404471	NSC720703; CHEMBL1970953; NSC-720703; NCI60_041363	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720703	.	.	.	.	392.4	C24H24O5	54	575	4.1	29	0	5	6	"InChI=1S/C24H24O5/c1-26-20-9-5-3-7-17(20)15-22-23(16-18-8-4-6-10-21(18)27-2)29-24(28-22)13-11-19(25)12-14-24/h3-14,22-23H,15-16H2,1-2H3/t22-,23-/m0/s1"	COC1=CC=CC=C1C[C@H]2[C@@H](OC3(O2)C=CC(=O)C=C3)CC4=CC=CC=C4OC	ALSYJBKKJGQEMR-GOTSBHOMSA-N
DG59870	"(2S,3S)-2,3-bis[(4-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one"	404472	"MLS002702493; SMR001566054; NSC720704; cid_404472; CHEMBL1734503; BDBM83280; NSC-720704; (2S,3S)-2,3-bis[(4-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one; NCI60_041364; SR-01000880956; SR-01000880956-2; (2S,3S)-2,3-bis(p-anisyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720704	.	.	.	.	392.4	C24H24O5	54	559	4.1	29	0	5	6	"InChI=1S/C24H24O5/c1-26-20-7-3-17(4-8-20)15-22-23(16-18-5-9-21(27-2)10-6-18)29-24(28-22)13-11-19(25)12-14-24/h3-14,22-23H,15-16H2,1-2H3/t22-,23-/m0/s1"	COC1=CC=C(C=C1)C[C@H]2[C@@H](OC3(O2)C=CC(=O)C=C3)CC4=CC=C(C=C4)OC	MMDQHHLSZSNONR-GOTSBHOMSA-N
DG59871	"S-[(2R,3R)-8-oxo-2,3-diphenyl-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate"	404474	NSC720706; CHEMBL1980439; NSC-720706; NCI60_041366	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720706	.	.	.	.	442.5	C27H22O4S	77.9	674	4.7	32	0	5	5	"InChI=1S/C27H22O4S/c28-22-16-17-27(23(18-22)32-26(29)21-14-8-3-9-15-21)30-24(19-10-4-1-5-11-19)25(31-27)20-12-6-2-7-13-20/h1-17,23-25H,18H2/t23 ,24-,25-/m1/s1"	C1C(C2(C=CC1=O)O[C@@H]([C@H](O2)C3=CC=CC=C3)C4=CC=CC=C4)SC(=O)C5=CC=CC=C5	DCHHJPQHOLRHPT-OPWSDZRHSA-N
DG59872	"S-[(2S,3S)-2,3-dibenzyl-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate"	404475	NSC720707; CHEMBL2005560; NSC-720707; NCI60_041367	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720707	.	.	.	.	470.6	C29H26O4S	77.9	702	5.7	34	0	5	7	"InChI=1S/C29H26O4S/c30-24-16-17-29(27(20-24)34-28(31)23-14-8-3-9-15-23)32-25(18-21-10-4-1-5-11-21)26(33-29)19-22-12-6-2-7-13-22/h1-17,25-27H,18-20H2/t25-,26-,27 /m0/s1"	C1C(C2(C=CC1=O)O[C@H]([C@@H](O2)CC3=CC=CC=C3)CC4=CC=CC=C4)SC(=O)C5=CC=CC=C5	QQTHBGCALKKUCN-TXIPYEPDSA-N
DG59873	"S-[(2S,3S)-2,3-bis[(2-methoxyphenyl)methyl]-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate"	404476	NSC720708; CHEMBL1983893; NSC-720708; NCI60_041368	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720708	.	.	.	.	530.6	C31H30O6S	96.4	804	5.7	38	0	7	9	"InChI=1S/C31H30O6S/c1-34-25-14-8-6-12-22(25)18-27-28(19-23-13-7-9-15-26(23)35-2)37-31(36-27)17-16-24(32)20-29(31)38-30(33)21-10-4-3-5-11-21/h3-17,27-29H,18-20H2,1-2H3/t27-,28-,29 /m0/s1"	COC1=CC=CC=C1C[C@H]2[C@@H](OC3(O2)C=CC(=O)CC3SC(=O)C4=CC=CC=C4)CC5=CC=CC=C5OC	IOFKSFCGQXUKRT-ASYYUYISSA-N
DG59874	"(2S,3S)-2,3-bis[(4-methoxyphenyl)methyl]-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one"	404477	NSC720709; CHEMBL1996986; NSC-720709; NCI60_041369	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720709	.	.	.	.	502.6	C30H30O5S	79.3	700	5.8	36	0	6	8	"InChI=1S/C30H30O5S/c1-32-24-12-8-21(9-13-24)18-27-28(19-22-10-14-25(33-2)15-11-22)35-30(34-27)17-16-23(31)20-29(30)36-26-6-4-3-5-7-26/h3-17,27-29H,18-20H2,1-2H3/t27-,28-,29 /m0/s1"	COC1=CC=C(C=C1)C[C@H]2[C@@H](OC3(O2)C=CC(=O)CC3SC4=CC=CC=C4)CC5=CC=C(C=C5)OC	IJQSOOQLODLVKN-ASYYUYISSA-N
DG59875	"S-[(2R,3R)-2,3-dicyclohexyl-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate"	404478	NSC720710; CHEMBL2002253; NSC-720710; NCI60_041370	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720710	.	.	.	.	454.6	C27H34O4S	77.9	674	6.5	32	0	5	5	"InChI=1S/C27H34O4S/c28-22-16-17-27(23(18-22)32-26(29)21-14-8-3-9-15-21)30-24(19-10-4-1-5-11-19)25(31-27)20-12-6-2-7-13-20/h3,8-9,14-17,19-20,23-25H,1-2,4-7,10-13,18H2/t23 ,24-,25-/m1/s1"	C1CCC(CC1)[C@@H]2[C@H](OC3(O2)C=CC(=O)CC3SC(=O)C4=CC=CC=C4)C5CCCCC5	STDVYXCKSZTSQL-OPWSDZRHSA-N
DG59876	"Methyl 2-hydroxy-6,11-dioxo-5-(pyridin-2-ylmethyl)benzo[b]carbazole-1-carboxylate"	404479	NSC720715; CHEMBL1989554; NSC-720715; NCI60_041371	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720715	.	.	.	.	412.4	C24H16N2O5	98.5	742	3.9	31	1	6	4	"InChI=1S/C24H16N2O5/c1-31-24(30)19-17(27)10-9-16-18(19)20-21(26(16)12-13-6-4-5-11-25-13)23(29)15-8-3-2-7-14(15)22(20)28/h2-11,27H,12H2,1H3"	COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=N4)C(=O)C5=CC=CC=C5C3=O)O	XHDGNCQNMUVVNP-UHFFFAOYSA-N
DG59877	"Methyl 5-[(3,5-dimethoxyphenyl)methyl]-2-hydroxybenzo[b]carbazole-1-carboxylate"	404480	NSC720716; CHEMBL1999173; NSC-720716; NCI60_041372	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720716	.	.	.	.	441.5	C27H23NO5	69.9	675	5.9	33	1	5	6	"InChI=1S/C27H23NO5/c1-31-19-10-16(11-20(14-19)32-2)15-28-22-8-9-24(29)26(27(30)33-3)25(22)21-12-17-6-4-5-7-18(17)13-23(21)28/h4-14,29H,15H2,1-3H3"	COC1=CC(=CC(=C1)CN2C3=C(C4=CC5=CC=CC=C5C=C42)C(=C(C=C3)O)C(=O)OC)OC	DTJLKJQQQMUUPY-UHFFFAOYSA-N
DG59878	"Methyl 5-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dihydroxybenzo[b]carbazole-1-carboxylate"	404483	NSC720719; CHEMBL1985319; NSC-720719; NCI60_041374	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720719	.	.	.	.	471.5	C28H25NO6	90.2	734	5.8	35	2	6	7	"InChI=1S/C28H25NO6/c1-33-22-11-8-16(14-23(22)34-2)12-13-29-20-9-10-21(30)25(28(32)35-3)24(20)19-15-17-6-4-5-7-18(17)27(31)26(19)29/h4-11,14-15,30-31H,12-13H2,1-3H3"	COC1=C(C=C(C=C1)CCN2C3=C(C4=CC5=CC=CC=C5C(=C42)O)C(=C(C=C3)O)C(=O)OC)OC	FIUVOTYEZXEQOO-UHFFFAOYSA-N
DG59879	"Methyl 5-[(2-chlorophenyl)methyl]-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxylate"	404484	NSC720720; CHEMBL1972051; NSC-720720; NCI60_041375	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720720	.	.	.	.	445.8	C25H16ClNO5	85.6	773	5.6	32	1	5	4	"InChI=1S/C25H16ClNO5/c1-32-25(31)20-18(28)11-10-17-19(20)21-22(27(17)12-13-6-2-5-9-16(13)26)24(30)15-8-4-3-7-14(15)23(21)29/h2-11,28H,12H2,1H3"	COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=C4Cl)C(=O)C5=CC=CC=C5C3=O)O	QBEJZMUIKAXLBG-UHFFFAOYSA-N
DG59880	"Methyl 5-ethyl-2,6-dihydroxybenzo[b]carbazole-1-carboxylate"	404486	NSC720722; CHEMBL1977504; NSC-720722; NCI60_041377	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720722	.	.	.	.	335.4	C20H17NO4	71.7	512	4.3	25	2	4	3	"InChI=1S/C20H17NO4/c1-3-21-14-8-9-15(22)17(20(24)25-2)16(14)13-10-11-6-4-5-7-12(11)19(23)18(13)21/h4-10,22-23H,3H2,1-2H3"	CCN1C2=C(C3=CC4=CC=CC=C4C(=C31)O)C(=C(C=C2)O)C(=O)OC	GSMHSJBMLAJUCA-UHFFFAOYSA-N
DG59881	"Naphtho[2,3-b][1]benzofuran-2,6-diol"	404488	NSC720724; CHEMBL1994032; NSC-720724; NCI60_041379	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720724	.	.	.	.	250.25	C16H10O3	53.6	345	3.9	19	2	3	0	"InChI=1S/C16H10O3/c17-10-5-6-14-12(8-10)13-7-9-3-1-2-4-11(9)15(18)16(13)19-14/h1-8,17-18H"	C1=CC=C2C(=C1)C=C3C4=C(C=CC(=C4)O)OC3=C2O	UFWRXRXIYVWMBV-UHFFFAOYSA-N
DG59882	"5-[(3,5-Dimethoxyphenyl)methyl]-2-hydroxybenzo[b]carbazole-6,11-dione"	404489	NSC720725; CHEMBL1971381; NSC-720725; NCI60_041380	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720725	.	.	.	.	413.4	C25H19NO5	77.8	685	4.5	31	1	5	4	"InChI=1S/C25H19NO5/c1-30-16-9-14(10-17(12-16)31-2)13-26-21-8-7-15(27)11-20(21)22-23(26)25(29)19-6-4-3-5-18(19)24(22)28/h3-12,27H,13H2,1-2H3"	COC1=CC(=CC(=C1)CN2C3=C(C=C(C=C3)O)C4=C2C(=O)C5=CC=CC=C5C4=O)OC	MMBISHYCNXJJKU-UHFFFAOYSA-N
DG59883	"2-Hydroxy-5-(4-methoxyphenyl)benzo[b]carbazole-6,11-dione"	404490	NSC720726; CHEMBL1980151; NSC-720726; NCI60_041381	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720726	.	.	.	.	369.4	C23H15NO4	68.5	628	4.6	28	1	4	2	"InChI=1S/C23H15NO4/c1-28-15-9-6-13(7-10-15)24-19-11-8-14(25)12-18(19)20-21(24)23(27)17-5-3-2-4-16(17)22(20)26/h2-12,25H,1H3"	COC1=CC=C(C=C1)N2C3=C(C=C(C=C3)O)C4=C2C(=O)C5=CC=CC=C5C4=O	MPGVIOWYTHZIOG-UHFFFAOYSA-N
DG59884	"1-[(Dimethylamino)methyl]-2-hydroxy-5-(4-methoxyphenyl)benzo[b]carbazole-6,11-dione"	404491	NSC720727; CHEMBL1986171; NSC-720727; NCI60_041382	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720727	.	.	.	.	426.5	C26H22N2O4	71.8	719	4.4	32	1	5	4	"InChI=1S/C26H22N2O4/c1-27(2)14-19-21(29)13-12-20-22(19)23-24(28(20)15-8-10-16(32-3)11-9-15)26(31)18-7-5-4-6-17(18)25(23)30/h4-13,29H,14H2,1-3H3"	CN(C)CC1=C(C=CC2=C1C3=C(N2C4=CC=C(C=C4)OC)C(=O)C5=CC=CC=C5C3=O)O	ZZYHQOMQXQFRSH-UHFFFAOYSA-N
DG59885	"[4-(4-Nitrophenyl)piperazin-1-yl]-(3,6,7-trimethyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)methanone"	404496	"NSC720732; CHEMBL1997937; NSC-720732; NCI60_041385; 6,4-di-N-oxide-3-methylquinoxalin-2-yl-4-(4-nit rophenyl)piperazinyl ketone; [4-(4-Nitro-phenyl)-piperazin-1-yl]-(3,6,7-trimethyl-1,4-dioxy-quinoxalin-2-yl)-methanone; [4-(4-nitrophenyl)piperazin-1-yl]-(3,6,7-trimethyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720732	.	.	.	.	437.4	C22H23N5O5	116	795	2.2	32	0	7	2	"InChI=1S/C22H23N5O5/c1-14-12-19-20(13-15(14)2)26(30)21(16(3)25(19)29)22(28)24-10-8-23(9-11-24)17-4-6-18(7-5-17)27(31)32/h4-7,12-13H,8-11H2,1-3H3"	CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]	IERWXMDRVHSQGZ-UHFFFAOYSA-N
DG59886	"2-methylpropyl N-[4-[(5-pentyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate"	404505	NSC720742; CHEMBL1975371; NSC-720742; NCI60_041390	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720742	.	.	.	.	426.6	C18H26N4O4S2	147	575	4	28	2	8	11	"InChI=1S/C18H26N4O4S2/c1-4-5-6-7-16-20-21-17(27-16)22-28(24,25)15-10-8-14(9-11-15)19-18(23)26-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,19,23)(H,21,22)"	CCCCCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)OCC(C)C	KHEAPAMXGNTNGH-UHFFFAOYSA-N
DG59887	"5-{[(E)-(5-chloro-2-hydroxyphenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione"	404523	"NSC720760; CHEMBL1968408; ZINC349490; STK741596; AKOS005526975; MCULE-5519798712; NSC-720760; NCI60_041391; 5-{[(E)-(5-chloro-2-hydroxyphenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione; 273745-71-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720760	.	.	.	.	265.65	C11H8ClN3O3	90.8	422	0.8	18	3	4	2	"InChI=1S/C11H8ClN3O3/c12-7-1-2-9(16)6(3-7)4-13-8-5-14-11(18)15-10(8)17/h1-5,16H,(H2,14,15,17,18)"	C1=CC(=C(C=C1Cl)C=NC2=CNC(=O)NC2=O)O	QGYSILWPKRLXKZ-UHFFFAOYSA-N
DG59888	Dehydrobrachylaenolide	404548	"dehydrobrachylaenolide; NSC720795; CHEMBL1966024; GYBDKJQMRUKMGE-QJZXMWHDSA-; NSC-720795; NCI60_041406; (3aS,5aS,9aR,9bS)-5a-methyl-3,9-dimethylene-4,5,9a,9b-tetrahydro-3aH-benzo[g]benzofuran-2,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720795	.	.	.	.	244.28	C15H16O3	43.4	514	2.6	18	0	3	0	"InChI=1S/C15H16O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7,10,12-13H,1-2,4,6H2,3H3/t10-,12+,13-,15-/m0/s1"	C[C@@]12CC[C@@H]3[C@@H]([C@H]1C(=C)C(=O)C=C2)OC(=O)C3=C	GYBDKJQMRUKMGE-QJZXMWHDSA-N
DG59889	"2-Methoxyethyl 6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate"	404550	NSC720800; CHEMBL1673137; NSC-720800; NCI60_041407	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720800	.	.	.	.	347.15	C13H12Cl2N2O5	81.9	499	1.6	22	0	6	5	"InChI=1S/C13H12Cl2N2O5/c1-7-12(13(18)22-4-3-21-2)17(20)11-6-9(15)8(14)5-10(11)16(7)19/h5-6H,3-4H2,1-2H3"	CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)OCCOC	NXIHDOWRGODOSC-UHFFFAOYSA-N
DG59890	"N,N-Bis(3,5-dimethyl-1H-pyrazole-1-ylmethyl)aniline"	404563	"NSC720859; CHEMBL1983335; NSC-720859; NCI60_041418; N,N-Bis(3,5-dimethyl-1H-pyrazole-1-ylmethyl)aniline; 3,5,5'-tetramethyl-N,N-Bis(pyrazol-1-ylmethyl)aniline; n,n-bis[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720859	.	.	.	.	309.4	C18H23N5	38.9	344	3.7	23	0	3	5	"InChI=1S/C18H23N5/c1-14-10-16(3)22(19-14)12-21(18-8-6-5-7-9-18)13-23-17(4)11-15(2)20-23/h5-11H,12-13H2,1-4H3"	CC1=CC(=NN1CN(CN2C(=CC(=N2)C)C)C3=CC=CC=C3)C	WRZCLCMIUFQVFS-UHFFFAOYSA-N
DG59891	"3,5'-dimethyl-N,N-Bis(pyrazol-1-yl methyl)aniline"	404564	"NSC720860; CHEMBL2002191; ZINC1663384; AKOS004909951; NSC-720860; NCI60_041419; 3,5'-dimethyl-N,N-Bis(pyrazol-1-yl methyl)aniline; 1,1'-(Phenyliminobismethylene)bis(5-methyl-1H-pyrazole-3-carboxylic acid methyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720860	.	.	.	.	397.4	C20H23N5O4	91.5	531	3.3	29	0	7	9	"InChI=1S/C20H23N5O4/c1-14-10-17(19(26)28-3)21-24(14)12-23(16-8-6-5-7-9-16)13-25-15(2)11-18(22-25)20(27)29-4/h5-11H,12-13H2,1-4H3"	CC1=CC(=NN1CN(CN2C(=CC(=N2)C(=O)OC)C)C3=CC=CC=C3)C(=O)OC	HTMVSPCHLDSQIG-UHFFFAOYSA-N
DG59892	"3,5'-dimethyl-N,N-Bis(pyrazol-1-yl methyl)benzylamine"	404565	"NSC720861; CHEMBL1996937; NSC-720861; NCI60_041420; 3,5'-dimethyl-N,N-Bis(pyrazol-1-yl methyl)benzylamine; 1,1'-(Benzyliminobismethylene)bis(5-methyl-1H-pyrazole-3-carboxylic acid methyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720861	.	.	.	.	411.5	C21H25N5O4	91.5	546	3	30	0	7	10	"InChI=1S/C21H25N5O4/c1-15-10-18(20(27)29-3)22-25(15)13-24(12-17-8-6-5-7-9-17)14-26-16(2)11-19(23-26)21(28)30-4/h5-11H,12-14H2,1-4H3"	CC1=CC(=NN1CN(CC2=CC=CC=C2)CN3C(=CC(=N3)C(=O)OC)C)C(=O)OC	AWYKLKAWXLDPRL-UHFFFAOYSA-N
DG59893	"N,N-bis(3,5-dimethylpyrazol-1-ylmethyl)-cyclohexylamine"	404566	"CHEMBL1968195; NSC720862; BDBM50486773; NSC-720862; NCI60_041421; N,N-bis(3,5-dimethylpyrazol-1-ylmethyl)-cyclohexylamine; 1,1'-(Cyclohexyliminobismethylene)bis(3,5-dimethyl-1H-pyrazole); 3,5,5'-tetra-methyl-N,N-Bis(pyrazol-1-ylmethyl)cyclohexyl amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720862	.	.	.	.	315.5	C18H29N5	38.9	344	3.8	23	0	3	5	"InChI=1S/C18H29N5/c1-14-10-16(3)22(19-14)12-21(18-8-6-5-7-9-18)13-23-17(4)11-15(2)20-23/h10-11,18H,5-9,12-13H2,1-4H3"	CC1=CC(=NN1CN(CN2C(=CC(=N2)C)C)C3CCCCC3)C	BUFOHUXVVLVRBQ-UHFFFAOYSA-N
DG59894	"4-{bis[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino}-1-butanol"	404569	"NSC720865; CHEMBL1969268; 4-{bis[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino}-1-butanol; NSC-720865; NCI60_041422; 4-[bis(3,5-dimethyl pyrazol-1-yl-methyl)-amino]butan-1-ol; 1,1'-(4-Hydroxybutyl)iminobismethylenebis(3,5-dimethyl-1H-pyrazole)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720865	.	.	.	.	305.42	C16H27N5O	59.1	304	2	22	1	4	8	"InChI=1S/C16H27N5O/c1-13-9-15(3)20(17-13)11-19(7-5-6-8-22)12-21-16(4)10-14(2)18-21/h9-10,22H,5-8,11-12H2,1-4H3"	CC1=CC(=NN1CN(CCCCO)CN2C(=CC(=N2)C)C)C	PPXWKEVIJFTSOY-UHFFFAOYSA-N
DG59895	"3-(3-Hydroxy-4-methoxybenzyl)-5,7-dihydroxychroman-4-one"	404571	"107585-75-1; 3'-Hydroxy-3,9-dihydroeucomin; 3-(3-Hydroxy-4-methoxybenzyl)-5,7-dihydroxychroman-4-one; 5,7-dihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one; 5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-4-chromanone; 2,3-Dihydro-5,7-dihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-4H-1-benzopyran-4-one; 4H-1-benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-; NSC720872; CHEMBL1979084; CHEBI:175059; AKOS032948188; NSC-720872; NCI60_041424; W1702; 5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)chroman-4-one; 5,7-dihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzopyran-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720872	.	.	.	.	316.3	C17H16O6	96.2	427	2.8	23	3	6	3	"InChI=1S/C17H16O6/c1-22-14-3-2-9(5-12(14)19)4-10-8-23-15-7-11(18)6-13(20)16(15)17(10)21/h2-3,5-7,10,18-20H,4,8H2,1H3"	COC1=C(C=C(C=C1)CC2COC3=CC(=CC(=C3C2=O)O)O)O	WIBOONWRYQFYQJ-UHFFFAOYSA-N
DG59896	"3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one"	404572	"NSC720873; 3,9-Dihydroautumnalin; 3,9-Dihydroeucomnalin; CHEMBL2004107; 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one; NSC-720873; 27435-03-6; NCI60_041425"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720873	.	.	.	.	316.3	C17H16O6	96.2	419	2.8	23	3	6	3	"InChI=1S/C17H16O6/c1-22-17-12(19)7-13-14(16(17)21)15(20)10(8-23-13)6-9-2-4-11(18)5-3-9/h2-5,7,10,18-19,21H,6,8H2,1H3"	COC1=C(C2=C(C=C1O)OCC(C2=O)CC3=CC=C(C=C3)O)O	CGCVUMRAPMFWDT-UHFFFAOYSA-N
DG59897	"3-(4-Methoxybenzyl)-5,7-dimethoxychroman-4-one"	404573	"3-(4-Methoxybenzyl)-5,7-dimethoxychroman-4-one; NSC720874; CHEMBL2005881; NSC-720874; NCI60_041426; 5,7-dimethoxy-3-(4-methoxybenzyl)chroman-4-one; 5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]chroman-4-one; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720874	.	.	.	.	328.4	C19H20O5	54	418	3.3	24	0	5	5	"InChI=1S/C19H20O5/c1-21-14-6-4-12(5-7-14)8-13-11-24-17-10-15(22-2)9-16(23-3)18(17)19(13)20/h4-7,9-10,13H,8,11H2,1-3H3"	COC1=CC=C(C=C1)CC2COC3=C(C2=O)C(=CC(=C3)OC)OC	JKMJUFLHBMBSQL-UHFFFAOYSA-N
DG59898	"2-[(3,4,5-Trimethoxy-phenyl)amino]-3-phenyl-5,7-diamino-quinoxaline"	404585	"CHEMBL464504; NSC720934; BDBM50251158; NSC-720934; NCI60_041430; 2-[3,5-(trimethoxy)anilino]-3-phenyl-5,7-diammino quinoxaline; 2-[(3,4,5-Trimethoxy-phenyl)amino]-3-phenyl-5,7-diamino-quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720934	.	.	.	.	417.5	C23H23N5O3	118	549	3.3	31	3	8	6	"InChI=1S/C23H23N5O3/c1-29-18-11-15(12-19(30-2)22(18)31-3)26-23-20(13-7-5-4-6-8-13)28-21-16(25)9-14(24)10-17(21)27-23/h4-12H,24-25H2,1-3H3,(H,26,27)"	COC1=CC(=CC(=C1OC)OC)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N	GICRJTKAQVGUGG-UHFFFAOYSA-N
DG59899	"2-[4-(Methoxy)phenoxy]-3-phenyl-5,7-diamminoquinoxaline"	404586	"NSC720935; CHEMBL483472; NSC-720935; NCI60_041431; 2-[4-(methoxy)phenoxy]-3-phenyl-5,7-diamminoquinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720935	.	.	.	.	358.4	C21H18N4O2	96.3	465	3.3	27	2	6	4	"InChI=1S/C21H18N4O2/c1-26-15-7-9-16(10-8-15)27-21-19(13-5-3-2-4-6-13)25-20-17(23)11-14(22)12-18(20)24-21/h2-12H,22-23H2,1H3"	COC1=CC=C(C=C1)OC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N	LZKMWNMQYDZUOZ-UHFFFAOYSA-N
DG59900	"2-[[3,7-Diammi no quinoxaline"	404587	"NSC720936; CHEMBL527433; 2-[[3,7-diammi no quinoxaline; NSC-720936; NCI60_041432"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720936	.	.	.	.	401.5	C23H23N5O2	108	520	3.3	30	3	7	6	"InChI=1S/C23H23N5O2/c1-29-17-8-14(9-18(12-17)30-2)13-26-23-21(15-6-4-3-5-7-15)28-22-19(25)10-16(24)11-20(22)27-23/h3-12H,13,24-25H2,1-2H3,(H,26,27)"	COC1=CC(=CC(=C1)CNC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N)OC	OTGVAFMQBNEXER-UHFFFAOYSA-N
DG59901	NSC720946	404590	"[3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl] 4,4-dimethylnonanoate; NSC720946; CHEMBL1998869; NSC-720946; NCI60_041433"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720946	.	.	.	.	672.7	C29H52O17	275	924	-2.1	46	10	17	16	"InChI=1S/C29H52O17/c1-4-5-6-8-29(2,3)9-7-16(31)46-28-25(40)22(37)19(34)15(45-28)12-42-27-24(39)21(36)18(33)14(44-27)11-41-26-23(38)20(35)17(32)13(10-30)43-26/h13-15,17-28,30,32-40H,4-12H2,1-3H3"	CCCCCC(C)(C)CCC(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O)O	BVDPJYZAHQRDIY-UHFFFAOYSA-N
DG59902	"ethyl 5-hydroxy-1,2-dimethyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate"	404593	NSC720985; CHEMBL1970803; NSC-720985; NCI60_041434	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720985	.	.	.	.	326.4	C19H22N2O3	67.2	499	3.6	24	2	3	3	"InChI=1S/C19H22N2O3/c1-4-24-19(23)15-10(2)21(3)18-12(15)9-14(22)17-16(18)11-7-5-6-8-13(11)20-17/h9,20,22H,4-8H2,1-3H3"	CCOC(=O)C1=C(N(C2=C3C4=C(CCCC4)NC3=C(C=C12)O)C)C	FAIJNCAKHQGHTO-UHFFFAOYSA-N
DG59903	"ethyl 1-benzyl-5-hydroxy-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate"	404594	NSC720986; CHEMBL1967715; NSC-720986; NCI60_041435	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720986	.	.	.	.	402.5	C25H26N2O3	67.2	622	5.2	30	2	3	5	"InChI=1S/C25H26N2O3/c1-3-30-25(29)21-15(2)27(14-16-9-5-4-6-10-16)24-18(21)13-20(28)23-22(24)17-11-7-8-12-19(17)26-23/h4-6,9-10,13,26,28H,3,7-8,11-12,14H2,1-2H3"	CCOC(=O)C1=C(N(C2=C3C4=C(CCCC4)NC3=C(C=C12)O)CC5=CC=CC=C5)C	ZJOBYXVYSJBSSF-UHFFFAOYSA-N
DG59904	"Ethyl 4-(4-chloroanilino)-7-(4-chlorophenyl)-6a-hydroxy-8-methyl-1,3-dioxo-2-phenylpyrrolo[3,4-d]indole-9-carboxylate"	404595	NSC720987; CHEMBL2002302; NSC-720987; NCI60_041436	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720987	.	.	.	.	602.5	C32H25Cl2N3O5	99.2	1230	6.1	42	2	7	7	"InChI=1S/C32H25Cl2N3O5/c1-3-42-29(39)26-19(2)37(24-15-11-21(34)12-16-24)31(41)18-17-25(35-22-13-9-20(33)10-14-22)27-28(38)36(30(40)32(26,27)31)23-7-5-4-6-8-23/h4-18,35,41H,3H2,1-2H3"	CCOC(=O)C1=C(N(C2(C13C(=C(C=C2)NC4=CC=C(C=C4)Cl)C(=O)N(C3=O)C5=CC=CC=C5)O)C6=CC=C(C=C6)Cl)C	SGGUHZKCVSVMLP-UHFFFAOYSA-N
DG59905	"9-Benzoyl-6a-hydroxy-6-methoxy-8-methyl-2-phenyl-3a,5,6,7-tetrahydropyrrolo[3,4-d]indole-1,3,4-trione"	404597	NSC720989; CHEMBL2005957; NSC-720989; NCI60_041437	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720989	.	.	.	.	446.5	C25H22N2O6	113	931	1.3	33	2	7	4	"InChI=1S/C25H22N2O6/c1-14-19(21(29)15-9-5-3-6-10-15)24-20(17(28)13-18(33-2)25(24,32)26-14)22(30)27(23(24)31)16-11-7-4-8-12-16/h3-12,18,20,26,32H,13H2,1-2H3"	CC1=C(C23C(C(=O)CC(C2(N1)O)OC)C(=O)N(C3=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5	UDZBVSRZPAIWSA-UHFFFAOYSA-N
DG59906	"ethyl 7-(4-chlorophenyl)-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate"	404599	NSC720991; CHEMBL1979111; NSC-720991; NCI60_041438	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720991	.	.	.	.	492.9	C26H21ClN2O6	104	1020	2.9	35	1	7	5	"InChI=1S/C26H21ClN2O6/c1-3-35-23(32)20-15(2)29(18-11-9-16(27)10-12-18)25(34)14-13-19(30)21-22(31)28(24(33)26(20,21)25)17-7-5-4-6-8-17/h4-14,21,34H,3H2,1-2H3"	CCOC(=O)C1=C(N(C2(C13C(C(=O)C=C2)C(=O)N(C3=O)C4=CC=CC=C4)O)C5=CC=C(C=C5)Cl)C	XKNOGZSWLNIMQF-UHFFFAOYSA-N
DG59907	NSC720992	404600	"Ethyl 15-(4-chlorophenyl)-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate; NSC720992; CHEMBL1992982; NSC-720992; NCI60_041439"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720992	.	.	.	.	477.9	C26H20ClNO6	104	1040	3.7	34	2	7	4	"InChI=1S/C26H20ClNO6/c1-3-34-24(32)20-14(2)28(16-10-8-15(27)9-11-16)25(33)13-12-19(29)21-22(30)17-6-4-5-7-18(17)23(31)26(20,21)25/h4-13,30,33H,3H2,1-2H3"	CCOC(=O)C1=C(N(C2(C13C(=C(C4=CC=CC=C4C3=O)O)C(=O)C=C2)O)C5=CC=C(C=C5)Cl)C	KILWIVAYAKIZIW-UHFFFAOYSA-N
DG59908	NSC720993	404601	"Ethyl 9,14-dihydroxy-15-(4-methoxyphenyl)-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate; NSC720993; CHEMBL1978398; NSC-720993; NCI60_041440"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720993	.	.	.	.	473.5	C27H23NO7	113	1050	3.1	35	2	8	5	"InChI=1S/C27H23NO7/c1-4-35-25(32)21-15(2)28(16-9-11-17(34-3)12-10-16)26(33)14-13-20(29)22-23(30)18-7-5-6-8-19(18)24(31)27(21,22)26/h5-14,30,33H,4H2,1-3H3"	CCOC(=O)C1=C(N(C2(C13C(=C(C4=CC=CC=C4C3=O)O)C(=O)C=C2)O)C5=CC=C(C=C5)OC)C	NVVGAJNQIPUFSH-UHFFFAOYSA-N
DG59909	"1-Acetyl-2-hydroxy-5-methylbenzo[b]carbazole-6,11-dione"	404603	NSC720995; CHEMBL1993512; NSC-720995; NCI60_041441	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720995	.	.	.	.	319.3	C19H13NO4	76.4	588	3.2	24	1	4	1	"InChI=1S/C19H13NO4/c1-9(21)14-13(22)8-7-12-15(14)16-17(20(12)2)19(24)11-6-4-3-5-10(11)18(16)23/h3-8,22H,1-2H3"	CC(=O)C1=C(C=CC2=C1C3=C(N2C)C(=O)C4=CC=CC=C4C3=O)O	LNFYTBXXKKKLLF-UHFFFAOYSA-N
DG59910	"3,3,5(10),9(11)-Tetraen-17-one"	404608	"NSC721019; CHEMBL1966598; NSC-721019; NCI60_041444; 3,3,5(10),9(11)-tetraen-17-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721019	.	.	.	.	368.4	C22H24O5	69.7	695	2.9	27	0	5	4	"InChI=1S/C22H24O5/c1-12(23)26-19-8-6-14-15-10-11-22(3)18(7-9-20(22)25)16(15)4-5-17(14)21(19)27-13(2)24/h6,8,10,16,18H,4-5,7,9,11H2,1-3H3/t16 ,18 ,22-/m0/s1"	CC(=O)OC1=C(C2=C(C=C1)C3=CC[C@]4(C(C3CC2)CCC4=O)C)OC(=O)C	XNYCWDLNVLSGAW-QRFVXNFXSA-N
DG59911	"1-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)phenyl]ethanone"	404609	NSC721037; CHEMBL1979480; NSC-721037; NCI60_041445	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721037	.	.	.	.	351.4	C23H17N3O	57.8	552	5.2	27	2	3	3	"InChI=1S/C23H17N3O/c1-14(27)15-7-6-8-16(13-15)24-23-21-17-9-2-4-11-19(17)25-22(21)18-10-3-5-12-20(18)26-23/h2-13,25H,1H3,(H,24,26)"	CC(=O)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C5=CC=CC=C5N4	PVLNEWIAIWAZIZ-UHFFFAOYSA-N
DG59912	"1-[3-[(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)amino]phenyl]ethanone"	404610	NSC721038; CHEMBL1975292; ZINC01663422; NSC-721038; NCI60_041446	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721038	.	.	.	.	385.8	C23H16ClN3O	57.8	586	5.8	28	2	3	3	"InChI=1S/C23H16ClN3O/c1-13(28)14-5-4-6-16(11-14)25-23-21-17-7-2-3-8-19(17)26-22(21)18-12-15(24)9-10-20(18)27-23/h2-12,26H,1H3,(H,25,27)"	CC(=O)C1=CC(=CC=C1)NC2=NC3=C(C=C(C=C3)Cl)C4=C2C5=CC=CC=C5N4	IFYFXQHQRFCXME-UHFFFAOYSA-N
DG59913	"[3-amino-5-[(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)amino]phenyl]methanol"	404611	NSC721039; CHEMBL2006245; NSC-721039; NCI60_041447	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721039	.	.	.	.	388.8	C22H17ClN4O	87	551	4.6	28	4	4	3	"InChI=1S/C22H17ClN4O/c23-13-5-6-19-17(9-13)21-20(16-3-1-2-4-18(16)26-21)22(27-19)25-15-8-12(11-28)7-14(24)10-15/h1-10,26,28H,11,24H2,(H,25,27)"	C1=CC=C2C(=C1)C3=C(N2)C4=C(C=CC(=C4)Cl)N=C3NC5=CC(=CC(=C5)N)CO	YYQXBRXZEBQLIW-UHFFFAOYSA-N
DG59914	1-Cyclopropyl-2-(4-hydroxyphenyl)quinolin-4-one	404618	NSC721046; CHEMBL1995759; NSC-721046; NCI60_041453	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721046	.	.	.	.	277.3	C18H15NO2	40.5	446	3.5	21	1	3	2	"InChI=1S/C18H15NO2/c20-14-9-5-12(6-10-14)17-11-18(21)15-3-1-2-4-16(15)19(17)13-7-8-13/h1-6,9-11,13,20H,7-8H2"	C1CC1N2C3=CC=CC=C3C(=O)C=C2C4=CC=C(C=C4)O	SJLOFCAANZHMOX-UHFFFAOYSA-N
DG59915	1-Cyclopropyl-2-(2-methoxyphenyl)quinolin-4-one	404619	NSC721047; CHEMBL1973330; NSC-721047; NCI60_041454	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721047	.	.	.	.	291.3	C19H17NO2	29.5	468	3.9	22	0	3	3	"InChI=1S/C19H17NO2/c1-22-19-9-5-3-7-15(19)17-12-18(21)14-6-2-4-8-16(14)20(17)13-10-11-13/h2-9,12-13H,10-11H2,1H3"	COC1=CC=CC=C1C2=CC(=O)C3=CC=CC=C3N2C4CC4	CHZBNGCXOVADFT-UHFFFAOYSA-N
DG59916	Elisabatin C	404626	Elisabatin C; NSC721054; CHEMBL1999995; NSC-721054; NCI60_041459	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721054	.	.	.	.	308.4	C20H20O3	57.5	557	4.7	23	2	3	1	"InChI=1S/C20H20O3/c1-9(2)6-13-7-10(3)15-14(21)8-11(4)16-18(15)17(13)12(5)19(22)20(16)23/h6-8,22-23H,1-5H3"	CC1=CC(=C2C(=C(C(=C3C2=C1C(=O)C=C3C)O)O)C)C=C(C)C	RSNPUVQLPNKBAQ-UHFFFAOYSA-N
DG59917	"3beta-Pregna-5,20-diene-beta-D-xylopyranoside"	404631	"NSC721059; CHEMBL1998471; NSC-721059; NCI60_041462; 3.beta.-Pregna-5,20-diene-.beta.-D-xylopyranoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721059	.	.	.	.	432.6	C26H40O5	79.2	735	3.9	31	3	5	3	"InChI=1S/C26H40O5/c1-4-15-6-8-19-18-7-5-16-13-17(31-24-23(29)22(28)21(27)14-30-24)9-11-26(16,3)20(18)10-12-25(15,19)2/h4-5,15,17-24,27-29H,1,6-14H2,2-3H3/t15-,17-,18-,19-,20-,21 ,22 ,23 ,24 ,25+,26-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C=C)CC=C4[C@@]3(CC[C@@H](C4)OC5C(C(C(CO5)O)O)O)C	CJBWTAWVUJOREK-RQRPEGGESA-N
DG59918	"3,5-Diphenyl-7-(4-methoxyphenyl)-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrimidine"	404634	"NSC721062; CHEMBL1966226; NSC-721062; NCI60_041464; 3,5-Diphenyl-7-(4-methoxyphenyl)-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721062	.	.	.	.	380.4	C24H20N4O	52.3	561	4.4	29	0	4	4	"InChI=1S/C24H20N4O/c1-29-20-14-12-18(13-15-20)22-16-21(17-8-4-2-5-9-17)25-24-23(26-27-28(22)24)19-10-6-3-7-11-19/h2-15,22H,16H2,1H3"	COC1=CC=C(C=C1)C2CC(=NC3=C(N=NN23)C4=CC=CC=C4)C5=CC=CC=C5	NWBOGYWKIXUSGS-UHFFFAOYSA-N
DG59919	"5,7-Diphenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine"	404636	"5,7-Diphenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine; 121581-98-4; NSC721064; Oprea1_295034; CBDivE_004393; CHEMBL1967977; STL038501; AKOS000641755; AKOS005692095; AKOS016374096; MCULE-1606941976; NSC-721064; NCI60_041465; 5,7-diphenyl-3,7-dihydrotetrazolo[1,5-a]pyrimidine; Z53203345; 5,7-diphenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721064	.	.	.	.	275.31	C16H13N5	55.6	384	3.3	21	1	4	2	"InChI=1S/C16H13N5/c1-3-7-12(8-4-1)14-11-15(13-9-5-2-6-10-13)21-16(17-14)18-19-20-21/h1-11,15H,(H,17,18,20)"	C1=CC=C(C=C1)C2C=C(NC3=NN=NN23)C4=CC=CC=C4	BPQBPYCYPRIGLJ-UHFFFAOYSA-N
DG59920	"7-(4-Methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine"	404637	"7-(4-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine; NSC721065; Oprea1_440455; MLS000113075; CHEMBL1320835; CHEBI:108498; HMS2489F23; STL045647; AKOS001017282; AKOS005699101; AKOS016873816; CCG-109833; MCULE-1489903772; NSC-721065; NCI60_041466; SMR000108982; SR-01000473179; SR-01000473179-1; Q27187387; 7-(4-methoxyphenyl)-5-phenyl-3,7-dihydrotetrazolo[1,5-a]pyrimidine; 7-(4-methoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine; 5-Phenyl-7-(4-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine; 325724-31-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721065	.	.	.	.	305.33	C17H15N5O	64.9	429	3.3	23	1	5	3	"InChI=1S/C17H15N5O/c1-23-14-9-7-13(8-10-14)16-11-15(12-5-3-2-4-6-12)18-17-19-20-21-22(16)17/h2-11,16H,1H3,(H,18,19,21)"	COC1=CC=C(C=C1)C2C=C(NC3=NN=NN23)C4=CC=CC=C4	WYRNEYAZTKWHPI-UHFFFAOYSA-N
DG59921	"3,9-Diphenyl-4,5,6,7,8,9-hexahydrotriazolo[5,1-b]quinazoline"	404639	NSC721067; CHEMBL2002442; NSC-721067; NCI60_041468	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721067	.	.	.	.	328.4	C21H20N4	42.7	504	4.2	25	1	3	2	"InChI=1S/C21H20N4/c1-3-9-15(10-4-1)19-21-22-18-14-8-7-13-17(18)20(25(21)24-23-19)16-11-5-2-6-12-16/h1-6,9-12,20,22H,7-8,13-14H2"	C1CCC2=C(C1)C(N3C(=C(N=N3)C4=CC=CC=C4)N2)C5=CC=CC=C5	TTZZJPJIRUQZNU-UHFFFAOYSA-N
DG59922	"9-Phenyl-4,5,6,7,8,9-hexahydrotetrazolo[5,1-b]quinazoline"	404640	"9-phenyl-4,5,6,7,8,9-hexahydrotetrazolo[5,1-b]quinazoline; NSC721068; Oprea1_657316; CHEMBL1986928; HMS3437J06; STK008961; AKOS001019663; AKOS021594728; CCG-127751; MCULE-5983713214; NSC-721068; NCI60_041469; SR-01000031038; SR-01000031038-1; Z53203386; 9-phenyl-4H,5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[5,1-b]quinazoline; 325724-27-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721068	.	.	.	.	253.3	C14H15N5	55.6	374	2.4	19	1	4	1	"InChI=1S/C14H15N5/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)15-14-16-17-18-19(13)14/h1-3,6-7,13H,4-5,8-9H2,(H,15,16,18)"	C1CCC2=C(C1)C(N3C(=NN=N3)N2)C4=CC=CC=C4	QAADUBHZGNZSOF-UHFFFAOYSA-N
DG59923	"7-(4-methoxyphenyl)-6-phenyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine"	404642	"7-(4-methoxyphenyl)-6-phenyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine; NSC721070; Oprea1_220408; Oprea1_573831; CHEMBL1982487; STK010335; AKOS000642341; CCG-109830; MCULE-9194268579; NSC-721070; NCI60_041470; EU-0042659; SR-01000473173; SR-01000473173-1; 300586-64-5; METHYL 4-(6-PHENYL-7,12-DIHYDRO-6H-CHROMENO[4,3-D][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL)PHENYL ETHER"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721070	.	.	.	.	408.5	C25H20N4O2	61.2	670	4.5	31	1	5	3	"InChI=1S/C25H20N4O2/c1-30-18-13-11-16(12-14-18)23-21-22(28-25-26-15-27-29(23)25)19-9-5-6-10-20(19)31-24(21)17-7-3-2-4-8-17/h2-15,23-24H,1H3,(H,26,27,28)"	COC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4OC3C5=CC=CC=C5)NC6=NC=NN26	GLOLAXUGTAMTBZ-UHFFFAOYSA-N
DG59924	"Urs-12-ene-1beta,2alpha,3beta,11alpha-tetrol"	404646	"NSC721074; CHEMBL511638; SCHEMBL5971194; NSC-721074; NCI60_041472; Urs-12-ene-1beta,2alpha,3beta,11alpha-tetrol; 1.beta.,3.beta.,11.alpha.,-Tetrahydroxy-urs-12-ene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721074	.	.	.	.	474.7	C30H50O4	80.9	881	5.9	34	4	4	0	"InChI=1S/C30H50O4/c1-16-9-11-27(5)13-14-28(6)18(21(27)17(16)2)15-19(31)23-29(28,7)12-10-20-26(3,4)24(33)22(32)25(34)30(20,23)8/h15-17,19-25,31-34H,9-14H2,1-8H3/t16-,17+,19-,20+,21+,22+,23+,24+,25-,27-,28-,29-,30+/m1/s1"	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=C[C@H]([C@H]4[C@]3(CC[C@@H]5[C@@]4([C@@H]([C@H]([C@@H](C5(C)C)O)O)O)C)C)O)[C@@H]2[C@H]1C)C)C	YZTZJWAFBBUUTI-AQQFODMKSA-N
DG59925	"2,14-Diaza-12-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,15,17,19,21-decaene;iodide"	404653	NSC721080; CHEMBL1998572; NSC-721080	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721080	.	.	.	.	411.2	C19H14IN3	19.5	455	.	23	0	2	0	"InChI=1S/C19H14N3.HI/c1-3-7-16-14(5-1)9-11-21-13-22-12-10-15-6-2-4-8-17(15)19(22)20-18(16)21;/h1-12H,13H2;1H/q+1;/p-1"	C1N2C=CC3=CC=CC=C3C2=NC4=[N+]1C=CC5=CC=CC=C54.[I-]	WBSPCHFEFYQJOP-UHFFFAOYSA-M
DG59926	"10,16-Dibromo-2,14-diaza-12-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,15,17,19,21-decaene;iodide"	404655	NSC721081; CHEMBL1996574; NSC-721081	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721081	.	.	.	.	569	C19H12Br2IN3	19.5	528	.	25	0	2	0	"InChI=1S/C19H12Br2N3.HI/c20-16-9-23-11-24-10-17(21)13-6-2-4-8-15(13)19(24)22-18(23)14-7-3-1-5-12(14)16;/h1-10H,11H2;1H/q+1;/p-1"	C1N2C=C(C3=CC=CC=C3C2=NC4=[N+]1C=C(C5=CC=CC=C54)Br)Br.[I-]	ADTCHPRGRVJTBH-UHFFFAOYSA-M
DG59927	"10,14-Dimethyl-1,3,12,14-tetraza-10-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-4,6,8,10,12,15,17,19-octaene;iodide"	404657	NSC721082; CHEMBL1982751; NSC-721082	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721082	.	.	.	.	417.25	C17H16IN5	27.6	449	.	23	0	2	0	"InChI=1S/C17H16N5.HI/c1-19-12-7-3-5-9-14(12)21-11-22-15-10-6-4-8-13(15)20(2)17(22)18-16(19)21;/h3-10H,11H2,1-2H3;1H/q+1;/p-1"	CN1C2=CC=CC=C2N3C1=NC4=[N+](C5=CC=CC=C5N4C3)C.[I-]	LIGHSJVWPOLLTC-UHFFFAOYSA-M
DG59928	"10,14-Dithia-3,12-diaza-1-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),4,6,8,11,15,17,19-octaene;iodide"	404659	NSC721083; CHEMBL1980191; NSC-721083	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721083	.	.	.	.	423.3	C15H10IN3S2	73	403	.	21	0	4	0	"InChI=1S/C15H10N3S2.HI/c1-3-7-12-10(5-1)17-9-18-11-6-2-4-8-13(11)20-15(18)16-14(17)19-12;/h1-8H,9H2;1H/q+1;/p-1"	C1N2C3=CC=CC=C3SC2=NC4=[N+]1C5=CC=CC=C5S4.[I-]	AJWIBMAGPHEGHU-UHFFFAOYSA-M
DG59929	NSC721084	404661	"7,17-Dimethoxy-10,14-dithia-3,12-diaza-1-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),4(9),5,7,11,15(20),16,18-octaene;iodide; NSC721084; CHEMBL1987460; NSC-721084"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721084	.	.	.	.	483.4	C17H14IN3O2S2	91.5	490	.	25	0	6	2	"InChI=1S/C17H14N3O2S2.HI/c1-21-10-3-5-12-14(7-10)23-16-18-17-20(9-19(12)16)13-6-4-11(22-2)8-15(13)24-17;/h3-8H,9H2,1-2H3;1H/q+1;/p-1"	COC1=CC2=C(C=C1)N3C[N+]4=C(N=C3S2)SC5=C4C=CC(=C5)OC.[I-]	VLBFQQLDHVXCGD-UHFFFAOYSA-M
DG59930	"(4-Aminophenyl)-(6-methyl-1,3-benzodioxol-5-yl)methanone"	404671	NSC721095; CHEMBL1974241; NSC-721095; NCI60_041481	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721095	.	.	.	.	255.27	C15H13NO3	61.6	338	2.8	19	1	4	2	"InChI=1S/C15H13NO3/c1-9-6-13-14(19-8-18-13)7-12(9)15(17)10-2-4-11(16)5-3-10/h2-7H,8,16H2,1H3"	CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)N)OCO2	UCDCYHQIRLHNBE-UHFFFAOYSA-N
DG59931	5-hydroxy-2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyridin-4-one	404677	NSC721116; CHEMBL1969389; NSC-721116; NCI60_041484	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721116	.	.	.	.	284.31	C16H16N2O3	76.6	472	1.3	21	3	4	4	"InChI=1S/C16H16N2O3/c19-10-12-7-15(20)16(21)9-18(12)6-5-11-8-17-14-4-2-1-3-13(11)14/h1-4,7-9,17,19,21H,5-6,10H2"	C1=CC=C2C(=C1)C(=CN2)CCN3C=C(C(=O)C=C3CO)O	YCTYJMHFXWZXRL-UHFFFAOYSA-N
DG59932	1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-phenylmethoxypyridin-4-one	404681	NSC721120; CHEMBL1976797; NSC-721120; NCI60_041485	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721120	.	.	.	.	358.4	C23H22N2O2	45.3	591	4.4	27	1	3	6	"InChI=1S/C23H22N2O2/c1-17-23(27-16-18-7-3-2-4-8-18)22(26)12-14-25(17)13-11-19-15-24-21-10-6-5-9-20(19)21/h2-10,12,14-15,24H,11,13,16H2,1H3"	CC1=C(C(=O)C=CN1CCC2=CNC3=CC=CC=C32)OCC4=CC=CC=C4	LOECBFUNADURPF-UHFFFAOYSA-N
DG59933	3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-methylpyridin-4-one	404685	NSC721124; SCHEMBL1520168; CHEMBL1987962; NSC-721124; NCI60_041486	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721124	.	.	.	.	268.31	C16H16N2O2	56.3	455	2.6	20	2	3	3	"InChI=1S/C16H16N2O2/c1-11-16(20)15(19)7-9-18(11)8-6-12-10-17-14-5-3-2-4-13(12)14/h2-5,7,9-10,17,20H,6,8H2,1H3"	CC1=C(C(=O)C=CN1CCC2=CNC3=CC=CC=C32)O	PDRMLQUZIPZYNJ-UHFFFAOYSA-N
DG59934	"1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-hydroxy-2-methylpyridin-4-one"	404686	NSC721125; CHEMBL1974865; NSC-721125; NCI60_041487	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721125	.	.	.	.	289.33	C16H19NO4	59	444	2.4	21	1	5	5	"InChI=1S/C16H19NO4/c1-11-16(19)13(18)7-9-17(11)8-6-12-4-5-14(20-2)15(10-12)21-3/h4-5,7,9-10,19H,6,8H2,1-3H3"	CC1=C(C(=O)C=CN1CCC2=CC(=C(C=C2)OC)OC)O	MCLRUJVAKWUPAU-UHFFFAOYSA-N
DG59935	3-Hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyridin-4-one	404687	NSC721126; CHEMBL1991651; NSC-721126; NCI60_041488	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721126	.	.	.	.	245.27	C14H15NO3	60.8	379	2.1	18	2	4	3	"InChI=1S/C14H15NO3/c1-10-14(18)13(17)7-9-15(10)8-6-11-2-4-12(16)5-3-11/h2-5,7,9,16,18H,6,8H2,1H3"	CC1=C(C(=O)C=CN1CCC2=CC=C(C=C2)O)O	OKMOMGQUUUJZAH-UHFFFAOYSA-N
DG59936	2-[(2-Aminophenoxy)methyl]-5-phenylmethoxypyran-4-one	404688	NSC721127; CHEMBL1968742; NSC-721127; NCI60_041489	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721127	.	.	.	.	323.3	C19H17NO4	70.8	494	2.6	24	1	5	6	"InChI=1S/C19H17NO4/c20-16-8-4-5-9-18(16)24-12-15-10-17(21)19(13-22-15)23-11-14-6-2-1-3-7-14/h1-10,13H,11-12,20H2"	C1=CC=C(C=C1)COC2=COC(=CC2=O)COC3=CC=CC=C3N	APGUQPPSDKAKAV-UHFFFAOYSA-N
DG59937	"5-(p-Chlorophenyl)-6,3-c)pyridin-7-one"	404696	"NSC721140; CHEMBL1983388; NSC-721140; NCI60_041490; 5-(p-chlorophenyl)-6,3-c)pyridin-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721140	.	.	.	.	261.73	C13H8ClNOS	57.3	349	3.6	17	1	2	1	"InChI=1S/C13H8ClNOS/c14-10-3-1-8(2-4-10)11-7-9-5-6-17-12(9)13(16)15-11/h1-7H,(H,15,16)"	C1=CC(=CC=C1C2=CC3=C(C(=O)N2)SC=C3)Cl	AZAFYOBDPHBAFY-UHFFFAOYSA-N
DG59938	N-acetyl-nor-muramyl-1-O-benyl-L-alanyl-D-(gama)-isoglutamyl-O-(beta)-ethyl-4-carboxyamidoacridine	404710	NSC721179; CHEMBL1989498; NSC-721179; NCI60_041495; N-acetyl-nor-muramyl-1-O-benyl-L-alanyl-D-(gama)-isoglutamyl -O-(beta)-ethyl-4-carboxyamidoacridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721179	.	.	.	.	816.9	C41H48N6O12	267	1430	0.8	59	7	13	20	"InChI=1S/C41H48N6O12/c1-23(44-32(50)22-57-37-35(45-24(2)49)41(59-31(20-48)36(37)52)58-21-25-9-4-3-5-10-25)39(54)47-30(38(42)53)15-16-33(51)56-18-17-43-40(55)28-13-8-12-27-19-26-11-6-7-14-29(26)46-34(27)28/h3-14,19,23,30-31,35-37,41,48,52H,15-18,20-22H2,1-2H3,(H2,42,53)(H,43,55)(H,44,50)(H,45,49)(H,47,54)"	CC(C(=O)NC(CCC(=O)OCCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21)C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C	WQJPABIPDBCBGW-UHFFFAOYSA-N
DG59939	3-(4-Hydroxyphenyl)-6-iodo-2-(2-thienyl)-3H-quinazolin-4-one	404713	NSC721184; CHEMBL1999176; 3-(4-Hydroxyphenyl)-6-iodo-2-(2-thienyl)-3H-quinazolin-4-one; NSC-721184; NCI60_041496	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721184	.	.	.	.	446.3	C18H11IN2O2S	81.1	521	4.4	24	1	4	2	"InChI=1S/C18H11IN2O2S/c19-11-3-8-15-14(10-11)18(23)21(12-4-6-13(22)7-5-12)17(20-15)16-2-1-9-24-16/h1-10,22H"	C1=CSC(=C1)C2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=C(C=C4)O	UTDKIHJQVHYEBZ-UHFFFAOYSA-N
DG59940	N-(6-iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))benzam ide	404716	NSC721187; CHEMBL561298; NSC-721187; NCI60_041497; N-(6-iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))benzam ide; N-[6-iodo-4-oxo-2-(thiophen-2-yl)quinazolin-3(4h)-yl]-benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721187	.	.	.	.	473.3	C19H12IN3O2S	90	593	4.4	26	1	4	2	"InChI=1S/C19H12IN3O2S/c20-13-8-9-15-14(11-13)19(25)23(17(21-15)16-7-4-10-26-16)22-18(24)12-5-2-1-3-6-12/h1-11H,(H,22,24)"	C1=CC=C(C=C1)C(=O)NN2C(=NC3=C(C2=O)C=C(C=C3)I)C4=CC=CS4	VEHUVWFSCJHDCY-UHFFFAOYSA-N
DG59941	4-(6-iodo-4-oxo-2-(2-thienyl)-3H-quinazolin-3-yl)benzenesulf onamide	404720	NSC721191; CHEMBL564791; NSC-721191; NCI60_041498; 4-(6-iodo-4-oxo-2-(2-thienyl)-3H-quinazolin-3-yl)benzenesulf onamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721191	.	.	.	.	509.3	C18H12IN3O3S2	129	716	3.3	27	1	6	3	"InChI=1S/C18H12IN3O3S2/c19-11-3-8-15-14(10-11)18(23)22(17(21-15)16-2-1-9-26-16)12-4-6-13(7-5-12)27(20,24)25/h1-10H,(H2,20,24,25)"	C1=CSC(=C1)C2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=C(C=C4)S(=O)(=O)N	XCCVNECOLPVDDK-UHFFFAOYSA-N
DG59942	6-Iodo-3-(phenylamino)-2-(2-thieny)-3H-quinazolin-4-one	404725	NSC721196; CHEMBL551639; NSC-721196; NCI60_041500; 6-Iodo-3-(phenylamino)-2-(2-thieny)-3H-quinazolin-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721196	.	.	.	.	445.3	C18H12IN3OS	72.9	509	5.1	24	1	4	3	"InChI=1S/C18H12IN3OS/c19-12-8-9-15-14(11-12)18(23)22(21-13-5-2-1-3-6-13)17(20-15)16-7-4-10-24-16/h1-11,21H"	C1=CC=C(C=C1)NN2C(=NC3=C(C2=O)C=C(C=C3)I)C4=CC=CS4	BKWSKDPJKODCJX-UHFFFAOYSA-N
DG59943	4-Ethylthio-6-iodo-2-(2-thienyl)quinazoline	404775	NSC721273; 4-Ethylthio-6-iodo-2-(2-thienyl)quinazoline; CHEMBL562557; NSC-721273; NCI60_041504	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721273	.	.	.	.	398.3	C14H11IN2S2	79.3	305	4.8	19	0	4	3	"InChI=1S/C14H11IN2S2/c1-2-18-14-10-8-9(15)5-6-11(10)16-13(17-14)12-4-3-7-19-12/h3-8H,2H2,1H3"	CCSC1=NC(=NC2=C1C=C(C=C2)I)C3=CC=CS3	SYHXHQIPQLWQCY-UHFFFAOYSA-N
DG59944	N-(6-iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))(pheny lamino)formamide	404778	NSC721276; CHEMBL1967133; NSC-721276; NCI60_041505; N-(6-iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))(pheny lamino)formamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721276	.	.	.	.	488.3	C19H13IN4O2S	102	611	4.1	27	2	4	2	"InChI=1S/C19H13IN4O2S/c20-12-8-9-15-14(11-12)18(25)24(17(22-15)16-7-4-10-27-16)23-19(26)21-13-5-2-1-3-6-13/h1-11H,(H2,21,23,26)"	C1=CC=C(C=C1)NC(=O)NN2C(=NC3=C(C2=O)C=C(C=C3)I)C4=CC=CS4	RVBDCVSVRPTYRD-UHFFFAOYSA-N
DG59945	N-amino-2-(6-iodo-2-(2-thienyl)quinazolin-4-yloxy)ethanamide	404798	NSC721316; CHEMBL569839; NSC-721316; NCI60_041511; N-amino-2-(6-iodo-2-(2-thienyl)quinazolin-4-yloxy)ethanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721316	.	.	.	.	426.23	C14H11IN4O2S	118	403	2.5	22	2	6	4	"InChI=1S/C14H11IN4O2S/c15-8-3-4-10-9(6-8)14(21-7-12(20)19-16)18-13(17-10)11-2-1-5-22-11/h1-6H,7,16H2,(H,19,20)"	C1=CSC(=C1)C2=NC3=C(C=C(C=C3)I)C(=N2)OCC(=O)NN	KNYUPZGXJIMZOQ-UHFFFAOYSA-N
DG59946	4-(((6-Iodo-2-(2-thienyl)quinazolin-4-yl)amino)methyl)benzen esulfonamide	404800	NSC721318; CHEMBL563972; NSC-721318; NCI60_041512; 4-(((6-Iodo-2-(2-thienyl)quinazolin-4-yl)amino)methyl)benzen esulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721318	.	.	.	.	522.4	C19H15IN4O2S2	135	624	3.9	28	2	7	5	"InChI=1S/C19H15IN4O2S2/c20-13-5-8-16-15(10-13)18(24-19(23-16)17-2-1-9-27-17)22-11-12-3-6-14(7-4-12)28(21,25)26/h1-10H,11H2,(H2,21,25,26)(H,22,23,24)"	C1=CSC(=C1)C2=NC3=C(C=C(C=C3)I)C(=N2)NCC4=CC=C(C=C4)S(=O)(=O)N	XMFXMTUGJUCEQS-UHFFFAOYSA-N
DG59947	"((4-((6-Iodo-2-(2-thienyl)quinazolin-4-yl) amino)phenyl)sulfonyl)-2,5-thiazolylamine"	404801	"NSC721319; CHEMBL559075; NSC-721319; NCI60_041513; ((4-((6-Iodo-2-(2-thienyl)quinazolin-4-yl) amino)phenyl)sulfonyl)-2,5-thiazolylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721319	.	.	.	.	591.5	C21H14IN5O2S3	162	733	5.3	32	2	9	6	"InChI=1S/C21H14IN5O2S3/c22-13-3-8-17-16(12-13)19(26-20(25-17)18-2-1-10-30-18)24-14-4-6-15(7-5-14)32(28,29)27-21-23-9-11-31-21/h1-12H,(H,23,27)(H,24,25,26)"	C1=CSC(=C1)C2=NC3=C(C=C(C=C3)I)C(=N2)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5	ZHTREVGFEBGGPT-UHFFFAOYSA-N
DG59948	2-S-dimethylarsino-2-thiobenzoic acid	404813	NSC721333; SCHEMBL628901; CHEMBL1967864; 2-S-dimethylarsino-2-thiobenzoic acid; NSC-721333; NCI60_041516	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721333	.	.	.	.	258.17	C9H11AsO2S	62.6	185	.	13	1	3	3	"InChI=1S/C9H11AsO2S/c1-10(2)13-8-6-4-3-5-7(8)9(11)12/h3-6H,1-2H3,(H,11,12)"	C[As](C)SC1=CC=CC=C1C(=O)O	CPPNTXAMKHGBQK-UHFFFAOYSA-N
DG59949	O-Methyl antimycin A1	404835	NSC721381; O-Methyl antimycin A1; CHEMBL1984553; NSC-721381; 118890-38-3	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721381	.	.	.	.	1125.3	C58H84N4O18	293	1730	.	80	4	18	26	"InChI=1S/2C29H42N2O9/c1-7-8-9-10-12-21-25(40-23(33)15-17(2)3)19(5)39-29(36)24(18(4)38-28(21)35)31-27(34)20-13-11-14-22(30-16-32)26(20)37-6;1-7-9-10-11-13-21-24(40-27(34)17(3)8-2)19(5)39-29(36)23(18(4)38-28(21)35)31-26(33)20-14-12-15-22(30-16-32)25(20)37-6/h11,13-14,16-19,21,24-25H,7-10,12,15H2,1-6H3,(H,30,32)(H,31,34);12,14-19,21,23-24H,7-11,13H2,1-6H3,(H,30,32)(H,31,33)/t18-,19+,21-,24+,25+;17 ,18-,19+,21-,23+,24+/m11/s1"	CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OC)C)OC(=O)CC(C)C.CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OC)C)OC(=O)C(C)CC	XEQUXGIRPDFUEY-SMBJCLKESA-N
DG59950	2'-O-benzoyl-salicortin	404838	2'-O-benzoyl-salicortin; CHEMBL1982093; HMS3370D04; HMS3394M17; NSC721382; NSC-721382; NCI60_041519	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721382	.	.	.	.	528.5	C27H28O11	169	869	1.7	38	4	11	10	"InChI=1S/C27H28O11/c28-14-19-21(30)22(31)23(38-24(32)16-8-2-1-3-9-16)25(37-19)36-18-11-5-4-10-17(18)15-35-26(33)27(34)13-7-6-12-20(27)29/h1-5,7-11,13,19,21-23,25,28,30-31,34H,6,12,14-15H2"	C1CC(=O)C(C=C1)(C(=O)OCC2=CC=CC=C2OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=CC=C4)O	RCKCYCDBDYUIGM-UHFFFAOYSA-N
DG59951	5-fluoro-2'-deoxyuridyl 5-nitrofuryl N-methyl-N-(4-chlorobutyl) phosphoramidate	404841	"NSC721385; CHEMBL139442; SCHEMBL14582824; BDBM50107343; NSC-721385; NCI60_041520; 5-fluoro-2'-deoxyuridyl 5-nitrofuryl N-methyl-N-(4-chlorobutyl) phosphoramidate; (4-Chloro-butyl)-methyl-phosphoramidic acid 5-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl ester 5-nitro-furan-2-ylmethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721385	.	.	.	.	554.8	C19H25ClFN4O10P	177	908	0.7	36	2	12	12	"InChI=1S/C19H25ClFN4O10P/c1-23(7-3-2-6-20)36(31,32-10-12-4-5-16(34-12)25(29)30)33-11-15-14(26)8-17(35-15)24-9-13(21)18(27)22-19(24)28/h4-5,9,14-15,17,26H,2-3,6-8,10-11H2,1H3,(H,22,27,28)"	CN(CCCCCl)P(=O)(OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O)OCC3=CC=C(O3)[N+](=O)[O-]	QJSUJNHXESNBMF-UHFFFAOYSA-N
DG59952	"5-Fluoro-2'-deoxyuridyl 2-(1,4-naphthoquinonyl)methyl N-methyl-N-(4-chlorobutyl) phosphoramidate"	404842	"NSC721386; CHEMBL138915; SCHEMBL14582826; BDBM50107341; NSC-721386; NCI60_041521; (4-Chloro-butyl)-methyl-phosphoramidic acid 1,4-dioxo-1,4-dihydro-naphthalen-2-ylmethyl ester 5-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl ester; 5-Fluoro-2'-deoxyuridyl 2-(1,4-naphthoquinonyl)methyl N-methyl-N-(4-chlorobutyl) phosphoramidate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721386	.	.	.	.	599.9	C25H28ClFN3O9P	152	1130	0.9	40	2	11	12	"InChI=1S/C25H28ClFN3O9P/c1-29(9-5-4-8-26)40(36,37-13-15-10-19(31)16-6-2-3-7-17(16)23(15)33)38-14-21-20(32)11-22(39-21)30-12-18(27)24(34)28-25(30)35/h2-3,6-7,10,12,20-22,32H,4-5,8-9,11,13-14H2,1H3,(H,28,34,35)"	CN(CCCCCl)P(=O)(OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O)OCC3=CC(=O)C4=CC=CC=C4C3=O	VIOXADGCOMQISB-UHFFFAOYSA-N
DG59953	5-Fluoro-2'-deoxyuridyl 2-(5-methoxy-N-methylindoloquinonyl)methyl N-methyl-N-(4-chlorobutyl) phosphoramidate	404843	NSC721387; CHEMBL1988367; SCHEMBL14582827; NSC-721387; NCI60_041522; 5-Fluoro-2'-deoxyuridyl 2-(5-methoxy-N-methylindoloquinonyl)methyl N-methyl-N-(4-chlorobutyl) phosphoramidate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721387	.	.	.	.	633	C25H31ClFN4O10P	166	1200	0.2	42	2	12	13	"InChI=1S/C25H31ClFN4O10P/c1-29(7-5-4-6-26)42(37,39-12-14-8-15-22(30(14)2)18(33)9-19(38-3)23(15)34)40-13-20-17(32)10-21(41-20)31-11-16(27)24(35)28-25(31)36/h8-9,11,17,20-21,32H,4-7,10,12-13H2,1-3H3,(H,28,35,36)"	CN1C(=CC2=C1C(=O)C=C(C2=O)OC)COP(=O)(N(C)CCCCCl)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)O	UDYFPQNFRMQCJA-UHFFFAOYSA-N
DG59954	5'-Arabinocytosyl 5-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate	404844	NSC721388; CHEMBL1992321; SCHEMBL14582832; NSC-721388; NCI60_041523; 5'-Arabinocytosyl 5-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721388	.	.	.	.	551.9	C19H27ClN5O10P	206	904	-1	36	3	11	12	"InChI=1S/C19H27ClN5O10P/c1-23(8-3-2-7-20)36(31,32-10-12-4-5-15(34-12)25(29)30)33-11-13-16(26)17(27)18(35-13)24-9-6-14(21)22-19(24)28/h4-6,9,13,16-18,26-27H,2-3,7-8,10-11H2,1H3,(H2,21,22,28)"	CN(CCCCCl)P(=O)(OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)OCC3=CC=C(O3)[N+](=O)[O-]	DBZSAYCDXAPJNK-UHFFFAOYSA-N
DG59955	NSC721389	404845	"1-[5-[[[4-Chlorobutyl(methyl)amino]-[(1,4-dioxonaphthalen-2-yl)methoxy]phosphoryl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione; NSC721389; CHEMBL1985123; SCHEMBL14582835; NSC-721389; NCI60_041524"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721389	.	.	.	.	577.9	C26H29ClN3O8P	132	1140	1.6	39	1	9	12	"InChI=1S/C26H29ClN3O8P/c1-17-14-30(26(34)28-25(17)33)23-10-9-19(38-23)16-37-39(35,29(2)12-6-5-11-27)36-15-18-13-22(31)20-7-3-4-8-21(20)24(18)32/h3-4,7-10,13-14,19,23H,5-6,11-12,15-16H2,1-2H3,(H,28,33,34)"	CC1=CN(C(=O)NC1=O)C2C=CC(O2)COP(=O)(N(C)CCCCCl)OCC3=CC(=O)C4=CC=CC=C4C3=O	TXENIGDHEOXUPT-UHFFFAOYSA-N
DG59956	NSC721390	404846	"1-[5-[[[4-Chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione; NSC721390; CHEMBL1980956; SCHEMBL14582833; NSC-721390; NCI60_041525"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721390	.	.	.	.	532.9	C20H26ClN4O9P	156	912	1.4	35	1	10	12	"InChI=1S/C20H26ClN4O9P/c1-14-11-24(20(27)22-19(14)26)17-7-5-15(33-17)12-31-35(30,23(2)10-4-3-9-21)32-13-16-6-8-18(34-16)25(28)29/h5-8,11,15,17H,3-4,9-10,12-13H2,1-2H3,(H,22,26,27)"	CC1=CN(C(=O)NC1=O)C2C=CC(O2)COP(=O)(N(C)CCCCCl)OCC3=CC=C(O3)[N+](=O)[O-]	DYYRKAGSONLDMO-UHFFFAOYSA-N
DG59957	NSC721391	404847	5-[1-[[4-[[4-Chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxybenzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide; NSC721391; CHEMBL210546; SCHEMBL14582817; NSC-721391; NCI60_041526	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721391	.	.	.	.	705.1	C33H42ClN4O9P	179	1090	6	48	2	10	17	"InChI=1S/C33H42ClN4O9P/c1-23(26-12-16-30(29(20-26)32(35)39)44-21-24-8-4-3-5-9-24)36-33(40)25-10-13-27(14-11-25)47-48(43,37(2)19-7-6-18-34)45-22-28-15-17-31(46-28)38(41)42/h10-17,20,23-24H,3-9,18-19,21-22H2,1-2H3,(H2,35,39)(H,36,40)"	CC(C1=CC(=C(C=C1)OCC2CCCCC2)C(=O)N)NC(=O)C3=CC=C(C=C3)OP(=O)(N(C)CCCCCl)OCC4=CC=C(O4)[N+](=O)[O-]	LERQMDBSXNYVEM-UHFFFAOYSA-N
DG59958	NSC721392	404848	"5-[1-[[4-[[4-Chlorobutyl(methyl)amino]-[(1,4-dioxonaphthalen-2-yl)methoxy]phosphoryl]oxybenzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide; NSC721392; CHEMBL1975822; SCHEMBL14582804; NSC-721392; NCI60_041527"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721392	.	.	.	.	750.2	C39H45ClN3O8P	154	1320	6.2	52	2	9	17	"InChI=1S/C39H45ClN3O8P/c1-26(29-16-19-36(34(22-29)38(41)46)49-24-27-10-4-3-5-11-27)42-39(47)28-14-17-31(18-15-28)51-52(48,43(2)21-9-8-20-40)50-25-30-23-35(44)32-12-6-7-13-33(32)37(30)45/h6-7,12-19,22-23,26-27H,3-5,8-11,20-21,24-25H2,1-2H3,(H2,41,46)(H,42,47)"	CC(C1=CC(=C(C=C1)OCC2CCCCC2)C(=O)N)NC(=O)C3=CC=C(C=C3)OP(=O)(N(C)CCCCCl)OCC4=CC(=O)C5=CC=CC=C5C4=O	KEOOLQDMCOPPKK-UHFFFAOYSA-N
DG59959	NSC721393	404849	5-[1-[[2-Acetamido-3-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxyphenyl]propanoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide; NSC721393; CHEMBL1990655; SCHEMBL14582820; NSC-721393; NCI60_041528	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721393	.	.	.	.	790.2	C37H49ClN5O10P	208	1260	5.6	54	3	11	20	"InChI=1S/C37H49ClN5O10P/c1-25(29-13-17-34(32(22-29)36(39)45)50-23-28-9-5-4-6-10-28)40-37(46)33(41-26(2)44)21-27-11-14-30(15-12-27)53-54(49,42(3)20-8-7-19-38)51-24-31-16-18-35(52-31)43(47)48/h11-18,22,25,28,33H,4-10,19-21,23-24H2,1-3H3,(H2,39,45)(H,40,46)(H,41,44)"	CC(C1=CC(=C(C=C1)OCC2CCCCC2)C(=O)N)NC(=O)C(CC3=CC=C(C=C3)OP(=O)(N(C)CCCCCl)OCC4=CC=C(O4)[N+](=O)[O-])NC(=O)C	YIRPLGKUOHBEPW-UHFFFAOYSA-N
DG59960	NSC721395	404851	5-[1-[[4-[[[4-Chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]amino]benzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide; NSC721395; CHEMBL209777; SCHEMBL14582816; NSC-721395; NCI60_041530	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721395	.	.	.	.	704.1	C33H43ClN5O8P	182	1090	6	48	3	10	17	"InChI=1S/C33H43ClN5O8P/c1-23(26-12-16-30(29(20-26)32(35)40)45-21-24-8-4-3-5-9-24)36-33(41)25-10-13-27(14-11-25)37-48(44,38(2)19-7-6-18-34)46-22-28-15-17-31(47-28)39(42)43/h10-17,20,23-24H,3-9,18-19,21-22H2,1-2H3,(H2,35,40)(H,36,41)(H,37,44)"	CC(C1=CC(=C(C=C1)OCC2CCCCC2)C(=O)N)NC(=O)C3=CC=C(C=C3)NP(=O)(N(C)CCCCCl)OCC4=CC=C(O4)[N+](=O)[O-]	OJNQUVKHPHNWLC-UHFFFAOYSA-N
DG59961	"5-Hydroxy-6,7-dimethoxy-3-(4-hydroxybenzyl)chroman-4-one"	404854	"NSC721398; CHEMBL1975106; NSC-721398; NCI60_041531; 5-Hydroxy-6,7-dimethoxy-3-(4-hydroxybenzyl)chroman-4-one; 5-hydroxy-6, 7-dimethoxy-3-(4'-hydroxybenzyl)-4-chromanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721398	.	.	.	.	330.3	C18H18O6	85.2	433	3.2	24	2	6	4	"InChI=1S/C18H18O6/c1-22-14-8-13-15(17(21)18(14)23-2)16(20)11(9-24-13)7-10-3-5-12(19)6-4-10/h3-6,8,11,19,21H,7,9H2,1-2H3"	COC1=C(C(=C2C(=C1)OCC(C2=O)CC3=CC=C(C=C3)O)O)OC	ALJBUGCEHCIDIM-UHFFFAOYSA-N
DG59962	"5-Hydroxy 3',4',7-trimethoxyspiro[chroman-3,7'-bicyclo[4.2.0]octa-[1(6),2,4]triene]-4-one"	404856	"NSC721400; CHEMBL1988547; NSC-721400; NCI60_041533; 5-Hydroxy 3',4',7-trimethoxyspiro[chroman-3,7'-bicyclo[4.2.0]octa-[1(6),2,4]triene]-4-one; 5-hydroxy-3', 7-trimethoxyspiro{2H-1-benzopyran, 7'-bicyclo[4.2.0]octa[1, 3, 5]-triene}-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721400	.	.	.	.	342.3	C19H18O6	74.2	524	2	25	1	6	3	"InChI=1S/C19H18O6/c1-22-11-5-13(20)17-16(6-11)25-9-19(18(17)21)8-10-4-14(23-2)15(24-3)7-12(10)19/h4-7,20H,8-9H2,1-3H3"	COC1=CC(=C2C(=C1)OCC3(C2=O)CC4=CC(=C(C=C34)OC)OC)O	GTARHKGCDCSIQV-UHFFFAOYSA-N
DG59963	"5,6,7-trihydroxy-3',4'-dimethoxyspiro[2H-chromene-3,7'-bicyclo[4.2.0]octa-1,3,5-triene]-4-one"	404858	"NSC721402; CHEMBL1998011; NSC-721402; NCI60_041535; 5, 7-trihydroxy-3', 4'-dimethoxyspiro{2H-1-benzopyran-7'-bicyclo[4.2.0]octa[1, 3,5]-trien}-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721402	.	.	.	.	344.3	C18H16O7	105	540	1.3	25	3	7	2	"InChI=1S/C18H16O7/c1-23-11-3-8-6-18(9(8)4-12(11)24-2)7-25-13-5-10(19)15(20)16(21)14(13)17(18)22/h3-5,19-21H,6-7H2,1-2H3"	COC1=C(C=C2C(=C1)CC23COC4=C(C3=O)C(=C(C(=C4)O)O)O)OC	ITNLRMLOWAXJEN-UHFFFAOYSA-N
DG59964	"Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]-"	404859	"Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]-; 60949-39-5; NSC721403; SCHEMBL11714078; DTXSID40328058; NSC-721403; 2-acetyl-3-bromomethylquinoxaline 1,4 dioxide; 2-acetyl-3-bromomethylquinoxaline 1,4-dioxide; 2-acetyl-3-bromomethylquinoxaline-1,4-dioxide; 2-Acetyl-3-Bromomethyl-Quinoxaline-1,4-Dioxide; 1,4-di-N-oxide-2-acethyl-3-bromomethylquinoxalina; 1-[3-(bromomethyl)-1,4-dioxido-quinoxaline-1,4-diium-2-yl]ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721403	.	.	.	.	297.1	C11H9BrN2O3	63.4	394	0.5	17	0	4	2	"InChI=1S/C11H9BrN2O3/c1-7(15)11-10(6-12)13(16)8-4-2-3-5-9(8)14(11)17/h2-5H,6H2,1H3"	CC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CBr	JBGDLRVJRCXTDG-UHFFFAOYSA-N
DG59965	"2-[[Amino-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-5-methoxy-1-methylindole-4,7-dione"	404935	NSC721513; CHEMBL39995; NSC-721513; NCI60_041539	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721513	.	.	.	.	513.12	C15H20Br2N3O5P	104	626	0.7	26	1	7	9	"InChI=1S/C15H20Br2N3O5P/c1-19-10(9-25-26(18,23)20(5-3-16)6-4-17)7-11-14(19)12(21)8-13(24-2)15(11)22/h7-8H,3-6,9H2,1-2H3,(H2,18,23)"	CN1C(=CC2=C1C(=O)C=C(C2=O)OC)COP(=O)(N)N(CCBr)CCBr	AOKALVYURCQZDZ-UHFFFAOYSA-N
DG59966	"2-[[Amino-[bis(2-chloroethyl)amino]phosphoryl]oxymethyl]-5-methoxy-1-methylindole-4,7-dione"	404936	NSC721514; CHEMBL118818; SCHEMBL13498792; NSC-721514; NCI60_041540	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721514	.	.	.	.	424.2	C15H20Cl2N3O5P	104	626	0.4	26	1	7	9	"InChI=1S/C15H20Cl2N3O5P/c1-19-10(9-25-26(18,23)20(5-3-16)6-4-17)7-11-14(19)12(21)8-13(24-2)15(11)22/h7-8H,3-6,9H2,1-2H3,(H2,18,23)"	CN1C(=CC2=C1C(=O)C=C(C2=O)OC)COP(=O)(N)N(CCCl)CCCl	RZDVBPPNAUBBNJ-UHFFFAOYSA-N
DG59967	"3-Acetoxymethyl-1-methyl-5-methoxyindole-4,7-dione"	404937	"NSC721515; CHEMBL118295; NSC-721515; NCI60_041541; 3-acetoxymethyl-1-methyl-5-methoxyindole-4,7-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721515	.	.	.	.	263.25	C13H13NO5	74.6	456	0.4	19	0	5	4	"InChI=1S/C13H13NO5/c1-7(15)19-6-8-5-14(2)12-9(16)4-10(18-3)13(17)11(8)12/h4-5H,6H2,1-3H3"	CC(=O)OCC1=CN(C2=C1C(=O)C(=CC2=O)OC)C	BJYZQIACLHYFPT-UHFFFAOYSA-N
DG59968	"2-(4-Ethyl)piperazinyl,4'-dimethoxy)benzoyl Quinoxaline"	404974	"NSC721605; CHEMBL2005320; NSC-721605; NCI60_041549; 2-(4-Ethyl)piperazinyl,4'-dimethoxy)benzoyl Quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721605	.	.	.	.	406.5	C23H26N4O3	67.8	569	3.5	30	0	7	6	"InChI=1S/C23H26N4O3/c1-4-26-11-13-27(14-12-26)23-21(24-17-7-5-6-8-18(17)25-23)22(28)16-9-10-19(29-2)20(15-16)30-3/h5-10,15H,4,11-14H2,1-3H3"	CCN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(=O)C4=CC(=C(C=C4)OC)OC	NJMQNWWPRZUHIF-UHFFFAOYSA-N
DG59969	Protoleucomelone	404979	"Protoleucomelone; NSC721619; CHEMBL1966641; CHEBI:168891; [4-[2,3,5,6-tetraacetyloxy-4-(3,4-diacetyloxyphenyl)phenyl]phenyl] acetate; NSC-721619; 477-70-3; NCI60_041552; 3,2',3',5',6',4''-Hepataacetoxy-p-terphenyl"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721619	.	.	.	.	636.6	C32H28O14	184	1110	3.4	46	0	14	16	"InChI=1S/C32H28O14/c1-15(33)40-24-11-8-22(9-12-24)27-29(43-18(4)36)31(45-20(6)38)28(32(46-21(7)39)30(27)44-19(5)37)23-10-13-25(41-16(2)34)26(14-23)42-17(3)35/h8-14H,1-7H3"	CC(=O)OC1=CC=C(C=C1)C2=C(C(=C(C(=C2OC(=O)C)OC(=O)C)C3=CC(=C(C=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	HPFJFTKHDYGPOR-UHFFFAOYSA-N
DG59970	NSC721620	404980	"[2-Acetyloxy-3-[3,11a-di(butan-2-yl)-2,4-dihydroxy-5-oxido-1-oxopyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl]-4,5-dihydroxy-6-(4-hydroxyphenyl)phenyl] acetate; NSC721620; CHEMBL2001695; NSC-721620; NCI60_041553"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721620	.	.	.	.	680.7	C34H36N2O13	211	1290	4.8	49	5	13	10	"InChI=1S/C34H36N2O13/c1-7-16(3)27-32(42)36(45)34(17(4)8-2,33(43)35(27)44)48-24-15-21(11-14-23(24)49-36)26-29(41)28(40)25(20-9-12-22(39)13-10-20)30(46-18(5)37)31(26)47-19(6)38/h9-17,39-42,44H,7-8H2,1-6H3"	CCC(C)C1=C([N+]2(C(C(=O)N1O)(OC3=C(O2)C=CC(=C3)C4=C(C(=C(C(=C4OC(=O)C)OC(=O)C)C5=CC=C(C=C5)O)O)O)C(C)CC)[O-])O	ZRUOGCKQVBXKOD-UHFFFAOYSA-N
DG59971	Sarcodonin peracetate	404981	"sarcodonin peracetate; CHEMBL1989532; NSC721621; NSC-721621; (4aS)-1-Oxo-2,4-diacetoxy-3,10abeta-bis[(S)-sec-butyl]-8-(2,3,4',5,6-pentaacetoxy-4-biphenylyl)-1,2-dihydro-10aH-2,4a-diazadibenzo-p-dioxin 4abeta-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721621	.	.	.	.	890.8	C44H46N2O18	241	1820	5.8	64	0	18	20	"InChI=1S/C44H46N2O18/c1-12-21(3)37-42(61-28(10)52)46(55)44(22(4)13-2,43(54)45(37)63-29(11)53)62-34-20-31(16-19-33(34)64-46)36-40(59-26(8)50)38(57-24(6)48)35(30-14-17-32(18-15-30)56-23(5)47)39(58-25(7)49)41(36)60-27(9)51/h14-22H,12-13H2,1-11H3/t21-,22-,44+,46-/m0/s1"	CC[C@H](C)C1=C([N@+]2([C@@](C(=O)N1OC(=O)C)(OC3=C(O2)C=CC(=C3)C4=C(C(=C(C(=C4OC(=O)C)OC(=O)C)C5=CC=C(C=C5)OC(=O)C)OC(=O)C)OC(=O)C)[C@@H](C)CC)[O-])OC(=O)C	XJNAEQGZDXDILG-LNGGRNHPSA-N
DG59972	5-Fluoro-2-(3-hydroxyphenyl)benzothiazole	404991	NSC721644; 5-Fluoro-2-(3-hydroxyphenyl)benzothiazole; CHEMBL458066; SCHEMBL4797697; AKOS005867544; NSC-721644; NCI60_041556	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721644	.	.	.	.	245.27	C13H8FNOS	61.4	278	4	17	1	4	1	"InChI=1S/C13H8FNOS/c14-9-4-5-12-11(7-9)15-13(17-12)8-2-1-3-10(16)6-8/h1-7,16H"	C1=CC(=CC(=C1)O)C2=NC3=C(S2)C=CC(=C3)F	OOAGTBGPTTVHAA-UHFFFAOYSA-N
DG59973	5-Fluoro-2-(3-hydroxy-4-methoxyphenyl)benzothiazole	404992	NSC721645; CHEMBL382981; SCHEMBL4803017; NSC-721645; NCI60_041557; 5-Fluoro-2-(3-hydroxy-4-methoxy)benzothiazole; 5-fluoro-2-(3-hydroxy-4-methoxyphenyl)benzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721645	.	.	.	.	275.3	C14H10FNO2S	70.6	320	3.8	19	1	5	2	"InChI=1S/C14H10FNO2S/c1-18-12-4-2-8(6-11(12)17)14-16-10-7-9(15)3-5-13(10)19-14/h2-7,17H,1H3"	COC1=C(C=C(C=C1)C2=NC3=C(S2)C=CC(=C3)F)O	APSKCJVLOANIFO-UHFFFAOYSA-N
DG59974	5-Fluoro-2-(4-hydroxy-3-methoxyphenyl)benzothiazole	404993	NSC721646; CHEMBL199613; SCHEMBL4803129; NSC-721646; NCI60_041558; 5-Fluoro-2-(4-hydroxy-3-methoxyphenyl)benzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721646	.	.	.	.	275.3	C14H10FNO2S	70.6	320	3.8	19	1	5	2	"InChI=1S/C14H10FNO2S/c1-18-12-6-8(2-4-11(12)17)14-16-10-7-9(15)3-5-13(10)19-14/h2-7,17H,1H3"	COC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)O	DWQHMGWMXJKJSQ-UHFFFAOYSA-N
DG59975	5-Fluoro-2-(3-Ethoxy-4-hydroxyphenyl)benzothiazole	404994	NSC721647; CHEMBL1991185; NSC-721647; NCI60_041559; 5-Fluoro-2-(3-Ethoxy-4-hydroxyphenyl)benzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721647	.	.	.	.	289.3	C15H12FNO2S	70.6	333	4.1	20	1	5	3	"InChI=1S/C15H12FNO2S/c1-2-19-13-7-9(3-5-12(13)18)15-17-11-8-10(16)4-6-14(11)20-15/h3-8,18H,2H2,1H3"	CCOC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)O	LUBNNWLAHPUPEU-UHFFFAOYSA-N
DG59976	"5-Fluoro-2-(3,5-dimethoxyphenyl)benzothiazole"	404996	"NSC721650; CHEMBL202931; SCHEMBL4806255; NSC-721650; NCI60_041562; 5-Fluoro-2-(3,5-dimethoxyphenyl)benzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721650	.	.	.	.	289.3	C15H12FNO2S	59.6	321	4.1	20	0	5	3	"InChI=1S/C15H12FNO2S/c1-18-11-5-9(6-12(8-11)19-2)15-17-13-7-10(16)3-4-14(13)20-15/h3-8H,1-2H3"	COC1=CC(=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)OC	ARCOYLAUNAXKBV-UHFFFAOYSA-N
DG59977	6-Methoxy-2-(4-hydroxyphenyl)benzothiazole	404997	NSC721651; CHEMBL454985; SCHEMBL4801119; AKOS018074059; NSC-721651; NCI60_041563; 6-Methoxy-2-(4-hydroxyphenyl)benzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721651	.	.	.	.	257.31	C14H11NO2S	70.6	281	3.9	18	1	4	2	"InChI=1S/C14H11NO2S/c1-17-11-6-7-12-13(8-11)18-14(15-12)9-2-4-10(16)5-3-9/h2-8,16H,1H3"	COC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)O	OIHCJZAQJKSYGI-UHFFFAOYSA-N
DG59978	6-Chloro-2-(4-hydroxyphenyl)benzothiazole	405001	NSC721655; CHEMBL456887; SCHEMBL4799750; AKOS018084146; NSC-721655; NCI60_041567; 6-Chloro-2-(4-hydroxyphenyl)benzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721655	.	.	.	.	261.73	C13H8ClNOS	61.4	270	4.5	17	1	3	1	"InChI=1S/C13H8ClNOS/c14-9-3-6-11-12(7-9)17-13(15-11)8-1-4-10(16)5-2-8/h1-7,16H"	C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)Cl)O	QIJDOTQHLPVBCS-UHFFFAOYSA-N
DG59979	6-Ethoxy-2-(4-hydroxyphenyl)benzothiazole	405003	NSC721657; CHEMBL500874; SCHEMBL4797832; AKOS018074360; NSC-721657; NCI60_041569; 2-(4-Hydroxyphenyl)-6-ethoxybenzothiazole; 6-Ethoxy-2-(4-hydroxyphenyl)benzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721657	.	.	.	.	271.3	C15H13NO2S	70.6	294	4.2	19	1	4	3	"InChI=1S/C15H13NO2S/c1-2-18-12-7-8-13-14(9-12)19-15(16-13)10-3-5-11(17)6-4-10/h3-9,17H,2H2,1H3"	CCOC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)O	JULMDIZRXYUITQ-UHFFFAOYSA-N
DG59980	4-Methyl-2-(4-hydroxyphenyl)benzothiazole	405005	NSC721659; SCHEMBL4798607; CHEMBL2003862; AKOS017697891; NSC-721659; NCI60_041571; 4-Methyl-2-(4-hydroxyphenyl)benzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721659	.	.	.	.	241.31	C14H11NOS	61.4	265	4	17	1	3	1	"InChI=1S/C14H11NOS/c1-9-3-2-4-12-13(9)15-14(17-12)10-5-7-11(16)8-6-10/h2-8,16H,1H3"	CC1=C2C(=CC=C1)SC(=N2)C3=CC=C(C=C3)O	IUVRSKMCOARMJW-UHFFFAOYSA-N
DG59981	5-Fluoro-2-(4-hydroxyphenyl)benzothiazole	405006	NSC721660; CHEMBL458069; SCHEMBL4804942; ZINC1663743; AKOS005868073; NSC-721660; NCI60_041572; 5-Fluoro-2-(4-hydroxyphenyl)benzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721660	.	.	.	.	245.27	C13H8FNOS	61.4	270	4	17	1	4	1	"InChI=1S/C13H8FNOS/c14-9-3-6-12-11(7-9)15-13(17-12)8-1-4-10(16)5-2-8/h1-7,16H"	C1=CC(=CC=C1C2=NC3=C(S2)C=CC(=C3)F)O	FTDAZLXVIURESD-UHFFFAOYSA-N
DG59982	4-Benzothiazol-2-yl-2-ethynyl-phenylamine	405007	NSC721662; CHEMBL141437; 2-Ethynyl-4-(2-benzothiazolyl)aniline; NSC-721662; NCI60_041573; 4-Benzothiazol-2-yl-2-ethynyl-phenylamine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721662	.	.	.	.	250.32	C15H10N2S	67.2	348	3.8	18	1	3	2	"InChI=1S/C15H10N2S/c1-2-10-9-11(7-8-12(10)16)15-17-13-5-3-4-6-14(13)18-15/h1,3-9H,16H2"	C#CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)N	FCDISKKDKAGWLW-UHFFFAOYSA-N
DG59983	"S-dimethylarsinogluthaione, pyridinium hydrochloride"	405069	"S-dimethylarsinogluthaione, pyridinium hydrochloride; CHEMBL1993959; darinaparsin pyridinium hyrochloride; NSC721951; NSC-721951"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721951	.	.	.	.	526.9	C17H28AsClN4O6S	197	479	.	30	6	9	11	"InChI=1S/C12H22AsN3O6S.C5H5N.ClH/c1-13(2)23-6-8(11(20)15-5-10(18)19)16-9(17)4-3-7(14)12(21)22;1-2-4-6-5-3-1;/h7-8H,3-6,14H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)(H,21,22);1-5H;1H"	C[As](C)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N.C1=CC=NC=C1.Cl	WHZWHJPOVYZZDR-UHFFFAOYSA-N
DG59984	"5-[3-(4-Nitrophenyl)-3-oxo-1-phenylpropyl]-1,3-diazinane-2,4,6-trione"	405071	NSC721952; CHEMBL2003897; NSC-721952	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721952	.	.	.	.	381.3	C19H15N3O6	138	639	1.8	28	2	6	5	"InChI=1S/C19H15N3O6/c23-15(12-6-8-13(9-7-12)22(27)28)10-14(11-4-2-1-3-5-11)16-17(24)20-19(26)21-18(16)25/h1-9,14,16H,10H2,(H2,20,21,24,25,26)"	C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3C(=O)NC(=O)NC3=O	IKIDFIQJNLAKJU-UHFFFAOYSA-N
DG59985	"5-[1,3-Bis(4-chlorophenyl)-3-oxopropyl]-1,3-diazinane-2,4,6-trione"	405076	NSC721957; Oprea1_165415; CHEMBL1989418; MCULE-8484692328; NSC-721957	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721957	.	.	.	.	405.2	C19H14Cl2N2O4	92.3	591	3.2	27	2	4	5	"InChI=1S/C19H14Cl2N2O4/c20-12-5-1-10(2-6-12)14(16-17(25)22-19(27)23-18(16)26)9-15(24)11-3-7-13(21)8-4-11/h1-8,14,16H,9H2,(H2,22,23,25,26,27)"	C1=CC(=CC=C1C(CC(=O)C2=CC=C(C=C2)Cl)C3C(=O)NC(=O)NC3=O)Cl	SOYXGXZLGYRUPI-UHFFFAOYSA-N
DG59986	"5-[2-Benzoyl-1,3-bis(4-methoxyphenyl)-5-oxo-5-phenylpentyl]-1,3-diazinane-2,4,6-trione"	405084	NSC721965; NSC-721965	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721965	.	.	.	.	604.6	C36H32N2O7	128	1030	5	45	2	7	12	"InChI=1S/C36H32N2O7/c1-44-26-17-13-22(14-18-26)28(21-29(39)23-9-5-3-6-10-23)31(33(40)25-11-7-4-8-12-25)30(24-15-19-27(45-2)20-16-24)32-34(41)37-36(43)38-35(32)42/h3-20,28,30-32H,21H2,1-2H3,(H2,37,38,41,42,43)"	COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(C(C3C(=O)NC(=O)NC3=O)C4=CC=C(C=C4)OC)C(=O)C5=CC=CC=C5	MISYGYFJPZPFOP-UHFFFAOYSA-N
DG59987	"7,11-Bis(2-chlorophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone"	405089	NSC721970; Oprea1_555305; CHEMBL2006915; NSC-721970	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721970	.	.	.	.	431.3	C21H16Cl2N2O4	92.3	672	2.9	29	2	4	2	"InChI=1S/C21H16Cl2N2O4/c22-16-7-3-1-5-12(16)14-9-11(26)10-15(13-6-2-4-8-17(13)23)21(14)18(27)24-20(29)25-19(21)28/h1-8,14-15H,9-10H2,(H2,24,25,27,28,29)"	C1C(C2(C(CC1=O)C3=CC=CC=C3Cl)C(=O)NC(=O)NC2=O)C4=CC=CC=C4Cl	IJIHYAYVEBCUAM-UHFFFAOYSA-N
DG59988	"7,11-Bis(3-nitrophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone"	405091	NSC721972; CHEMBL1988493; NSC-721972	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721972	.	.	.	.	452.4	C21H16N4O8	184	826	1.3	33	2	8	2	"InChI=1S/C21H16N4O8/c26-15-9-16(11-3-1-5-13(7-11)24(30)31)21(18(27)22-20(29)23-19(21)28)17(10-15)12-4-2-6-14(8-12)25(32)33/h1-8,16-17H,9-10H2,(H2,22,23,27,28,29)"	C1C(C2(C(CC1=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC(=O)NC2=O)C4=CC(=CC=C4)[N+](=O)[O-]	PVYAONFERXGVAO-UHFFFAOYSA-N
DG59989	(-)-Dibenzylnortrachelogenin	405098	NSC722052; (-)-Dibenzylnortrachelogenin; NSC-722052	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722052	.	.	.	.	554.6	C34H34O7	83.4	794	6.1	41	1	7	12	"InChI=1S/C34H34O7/c1-37-31-18-26(13-15-29(31)39-21-24-9-5-3-6-10-24)17-28-23-41-33(35)34(28,36)20-27-14-16-30(32(19-27)38-2)40-22-25-11-7-4-8-12-25/h3-16,18-19,28,36H,17,20-23H2,1-2H3/t28-,34-/m0/s1"	COC1=C(C=CC(=C1)C[C@H]2COC(=O)[C@@]2(CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)O)OCC5=CC=CC=C5	CVGGDXZSZGFSIT-GVYVVWIYSA-N
DG59990	"8,3'-Dimethoxybenzyl)-8-hydroxy-butyrolacton"	405100	"NSC722054; CHEMBL1994705; NSC-722054; 8,3'-Dimethoxybenzyl)-8-hydroxy-butyrolacton"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722054	.	.	.	.	342.4	C20H22O5	65	453	3.2	25	1	5	6	"InChI=1S/C20H22O5/c1-23-17-7-3-5-14(10-17)9-16-13-25-19(21)20(16,22)12-15-6-4-8-18(11-15)24-2/h3-8,10-11,16,22H,9,12-13H2,1-2H3/t16-,20-/m0/s1"	COC1=CC=CC(=C1)C[C@H]2COC(=O)[C@@]2(CC3=CC(=CC=C3)OC)O	PNXSOUWKEOHIBR-JXFKEZNVSA-N
DG59991	"4-Chlorophenylaminosulfonyl carbamic acid 2,4-dichlorobenzylester"	405107	"NSC722061; CHEMBL1987733; NSC-722061; (4-Chlorophenylsulfamoyl)carbamic acid 2,4-dichlorobenzyl ester; 4-Chlorophenylaminosulfonyl carbamic acid 2,4-dichlorobenzylester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722061	.	.	.	.	409.7	C14H11Cl3N2O4S	92.9	521	4.7	24	2	5	6	"InChI=1S/C14H11Cl3N2O4S/c15-10-3-5-12(6-4-10)18-24(21,22)19-14(20)23-8-9-1-2-11(16)7-13(9)17/h1-7,18H,8H2,(H,19,20)"	C1=CC(=CC=C1NS(=O)(=O)NC(=O)OCC2=C(C=C(C=C2)Cl)Cl)Cl	BQWONWHDDKMKKD-UHFFFAOYSA-N
DG59992	"dimethyl (4bS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2,3-dicarboxylate"	405112	NSC722066; CHEMBL1984198; NSC-722066	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722066	.	.	.	.	344.4	C21H28O4	52.6	540	5.6	25	0	4	4	"InChI=1S/C21H28O4/c1-20(2)9-6-10-21(3)16-12-15(19(23)25-5)14(18(22)24-4)11-13(16)7-8-17(20)21/h11-12,17H,6-10H2,1-5H3/t17 ,21-/m1/s1"	C[C@]12CCCC(C1CCC3=CC(=C(C=C23)C(=O)OC)C(=O)OC)(C)C	DEZJLRNOZZMFMJ-FBLFFUNLSA-N
DG59993	NSC722077	405122	"(3aS,5S,7S,7aR)-3-methylidene-5-[(2R)-2-methyl-5-oxooxolan-2-yl]-7-[(2R)-6-oxoheptan-2-yl]-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-2-one; NSC722077; CHEMBL1984381; NSC-722077"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722077	.	.	.	.	364.4	C20H28O6	78.9	626	2.1	26	0	6	6	"InChI=1S/C20H28O6/c1-11(6-5-7-12(2)21)17-18-14(13(3)19(23)25-18)10-15(24-17)20(4)9-8-16(22)26-20/h11,14-15,17-18H,3,5-10H2,1-2,4H3/t11-,14+,15+,17+,18-,20-/m1/s1"	C[C@H](CCCC(=O)C)[C@H]1[C@H]2[C@@H](C[C@H](O1)[C@]3(CCC(=O)O3)C)C(=C)C(=O)O2	IFIXGSRTTNSXPE-HHDKMFBESA-N
DG59994	"2,4-Bis(4-methoxybenzylamino)-6-(cyclohexylamino)-1,3,5-triazine"	405123	"NSC722115; NYU-TB; SCHEMBL3287378; CHEMBL2001473; NSC-722115; N-Cyclohexyl-N',3,5]triazine-2 ,4,6-triamine; 2,4-Bis(4-methoxybenzylamino)-6-(cyclohexylamino)-1,3,5-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722115	.	.	.	.	448.6	C25H32N6O2	93.2	497	5.7	33	3	8	10	"InChI=1S/C25H32N6O2/c1-32-21-12-8-18(9-13-21)16-26-23-29-24(27-17-19-10-14-22(33-2)15-11-19)31-25(30-23)28-20-6-4-3-5-7-20/h8-15,20H,3-7,16-17H2,1-2H3,(H3,26,27,28,29,30,31)"	COC1=CC=C(C=C1)CNC2=NC(=NC(=N2)NC3CCCCC3)NCC4=CC=C(C=C4)OC	DTCQGTUXIBQKPH-UHFFFAOYSA-N
DG59995	2-(4-Methoxy)phenyl-3-((4-methanesulfide)phenyl)imidazo[1.2a] pyrimidine	405133	NSC722170; SCHEMBL5259806; CHEMBL1993452; NSC-722170; 2-(4-methoxy)phenyl-3-((4-methanesulfide)phenyl)imidazo[1.2a] pyrimidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722170	.	.	.	.	347.4	C20H17N3OS	64.7	421	4.9	25	0	4	4	"InChI=1S/C20H17N3OS/c1-24-16-8-4-14(5-9-16)18-19(15-6-10-17(25-2)11-7-15)23-13-3-12-21-20(23)22-18/h3-13H,1-2H3"	COC1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)C4=CC=C(C=C4)SC	BNIUKULMJGZVCF-UHFFFAOYSA-N
DG59996	"2-[[4-(Methoxy)phenyl]amminomethyl]-3-phenyl-5,7-diammino quinoxaline"	405138	"NSC722175; CHEMBL488945; NSC-722175; 2-[[4-(methoxy)phenyl]amminomethyl]-3-phenyl-5,7-diammino quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722175	.	.	.	.	371.4	C22H21N5O	99.1	478	3.3	28	3	6	5	"InChI=1S/C22H21N5O/c1-28-17-9-7-14(8-10-17)13-25-22-20(15-5-3-2-4-6-15)27-21-18(24)11-16(23)12-19(21)26-22/h2-12H,13,23-24H2,1H3,(H,25,26)"	COC1=CC=C(C=C1)CNC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N	WRDZBENXZQGZBQ-UHFFFAOYSA-N
DG59997	"2-(3,5-Dimethoxyphenoxy)-3-phenylquinoxaline-5,7-diamine"	405139	NSC722176; CHEMBL483473; NSC-722176	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722176	.	.	.	.	388.4	C22H20N4O3	106	506	3.3	29	2	7	5	"InChI=1S/C22H20N4O3/c1-27-15-10-16(28-2)12-17(11-15)29-22-20(13-6-4-3-5-7-13)26-21-18(24)8-14(23)9-19(21)25-22/h3-12H,23-24H2,1-2H3"	COC1=CC(=CC(=C1)OC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N)OC	ZJAPPUPSNBIWFT-UHFFFAOYSA-N
DG59998	"2-[(3,5-Dimethoxy-phenyl)amino]-3-phenyl-5,7-diamino-quinoxaline"	405140	"CHEMBL464844; NSC722177; BDBM50251156; NSC-722177; 2-[(3,5-Dimethoxy-phenyl)amino]-3-phenyl-5,7-diamino-quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722177	.	.	.	.	387.4	C22H21N5O2	108	505	3.3	29	3	7	5	"InChI=1S/C22H21N5O2/c1-28-16-10-15(11-17(12-16)29-2)25-22-20(13-6-4-3-5-7-13)27-21-18(24)8-14(23)9-19(21)26-22/h3-12H,23-24H2,1-2H3,(H,25,26)"	COC1=CC(=CC(=C1)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N)OC	AFBYNDQCDGJGBD-UHFFFAOYSA-N
DG59999	N-(4-Fluoro-3-nitrophenyl)sydnone	405167	NSC722211; CHEMBL98323; N-(4-Fluoro-3-nitrophenyl)sydnone; 3-(3-Nitro-4-fluorophenyl)sydnone; NSC-722211	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722211	.	.	.	.	225.13	C8H4FN3O4	98.8	275	2.7	16	0	6	1	InChI=1S/C8H4FN3O4/c9-6-2-1-5(3-7(6)12(14)15)11-4-8(13)16-10-11/h1-4H	C1=CC(=C(C=C1[N+]2=NOC(=C2)[O-])[N+](=O)[O-])F	PXEQRBFQKNGHCQ-UHFFFAOYSA-N
DG60000	N-(4-Chloro-3-nitrophenyl)sydnone	405169	NSC722212; CHEMBL100094; 3-(4-chloro-3-nitrophenyl)sydnone; N-(4-Chloro-3-nitrophenyl)sydnone; 3-(3-Nitro-4-chlorophenyl)sydnone; NSC-722212	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722212	.	.	.	.	241.59	C8H4ClN3O4	98.8	275	3.3	16	0	5	1	InChI=1S/C8H4ClN3O4/c9-6-2-1-5(3-7(6)12(14)15)11-4-8(13)16-10-11/h1-4H	C1=CC(=C(C=C1[N+]2=NOC(=C2)[O-])[N+](=O)[O-])Cl	NJSTWYWKRNSLNW-UHFFFAOYSA-N
DG60001	N4-octadeyl-arabinocytidylyl-(5'.fwdarw.5')-5-fluoro-2'-deoxy uridine	405222	NSC722308; CHEMBL1978097; NSC-722308; N4-octadeyl-arabinocytidylyl-(5'.fwdarw.5')-5-fluoro-2'-deoxy uridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722308	.	.	.	.	824.9	C38H61N6O12P	259	1550	2.7	57	7	12	27	"InChI=1S/C38H61N6O12P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-40-30-21-24-43(37(49)42-30)34-32(46)31(45)27(55-34)25-53-57(51,52)54-26-28-38(50,4-2)33(47)35(56-28)44-23-20-29(39)41-36(44)48/h2,20-21,23-24,27-28,31-35,45-47,50H,3,5-19,22,25-26H2,1H3,(H,51,52)(H2,39,41,48)(H,40,42,49)"	CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)(C#C)O)O)O	ABPZZJZNSURGGM-UHFFFAOYSA-N
DG60002	"2,4-Dimethoxy-6-(3,3-dimethyl-1-butynyl)-1,3,5-triazine"	405235	"NSC722336; CHEMBL188212; NSC-722336; 2,4-Dimethoxy-6-(3,3-dimethyl-1-butynyl)-1,3,5-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722336	.	.	.	.	221.26	C11H15N3O2	57.1	275	2.7	16	0	5	4	"InChI=1S/C11H15N3O2/c1-11(2,3)7-6-8-12-9(15-4)14-10(13-8)16-5/h1-5H3"	CC(C)(C)C#CC1=NC(=NC(=N1)OC)OC	HDOQCYBURIMHGR-UHFFFAOYSA-N
DG60003	"2,4-Dimethoxy-6-(5-cyano-1-pentynyl)-1,3,5-triazine"	405236	"NSC722337; CHEMBL186442; NSC-722337; 2-(5'-Cyanopent-1'-ynyl)-4,3,5-triazine; 2,4-Dimethoxy-6-(5-cyano-1-pentynyl)-1,3,5-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722337	.	.	.	.	232.24	C11H12N4O2	80.9	325	1.3	17	0	6	5	"InChI=1S/C11H12N4O2/c1-16-10-13-9(14-11(15-10)17-2)7-5-3-4-6-8-12/h3-4,6H2,1-2H3"	COC1=NC(=NC(=N1)C#CCCCC#N)OC	LYOOLFPPJHXVFR-UHFFFAOYSA-N
DG60004	"2-Cyclohexylethynyl-4,3,5-triazine"	405237	"NSC722338; CHEMBL186356; 2-Cyclohexylethynyl-4,3,5-triazine; NSC-722338; 2,4-Dimethoxy-6-(cyclohexylethynyl)-1,3,5-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722338	.	.	.	.	247.29	C13H17N3O2	57.1	305	3.5	18	0	5	3	"InChI=1S/C13H17N3O2/c1-17-12-14-11(15-13(16-12)18-2)9-8-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3"	COC1=NC(=NC(=N1)C#CC2CCCCC2)OC	OLFDRSWEZYNWST-UHFFFAOYSA-N
DG60005	"2,4-Dimethoxy-6-(1-hydroxycyclohexylethynyl)-1,3,5-triazine"	405238	"NSC722339; CHEMBL365210; NSC-722339; 2,4-Dimethoxy-6-(1-hydroxycyclohexylethynyl)-1,3,5-triazine; 2-[2'-(1''-Hydroxycyclohex-1''-yl)-ethynyl]-4, 3,5-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722339	.	.	.	.	263.29	C13H17N3O3	77.4	345	1.7	19	1	6	4	"InChI=1S/C13H17N3O3/c1-18-11-14-10(15-12(16-11)19-2)6-9-13(17)7-4-3-5-8-13/h17H,3-5,7-8H2,1-2H3"	COC1=NC(=NC(=N1)C#CC2(CCCCC2)O)OC	LMWJVEWGYXMLDX-UHFFFAOYSA-N
DG60006	"2,4-Dimethoxy-6-(4-hydroxy-1-pentynyl)-1,3,5-triazine"	405239	"NSC722340; CHEMBL1984393; NSC-722340; 2-(4'-Hydroxypent-1'-ynyl)-4,3,5-triazine; 2,4-Dimethoxy-6-(4-hydroxy-1-pentynyl)-1,3,5-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722340	.	.	.	.	223.23	C10H13N3O3	77.4	261	1	16	1	6	4	"InChI=1S/C10H13N3O3/c1-7(14)5-4-6-8-11-9(15-2)13-10(12-8)16-3/h7,14H,5H2,1-3H3"	CC(CC#CC1=NC(=NC(=N1)OC)OC)O	NFZNDNVQDNBJNV-UHFFFAOYSA-N
DG60007	"2,4-Bis(4-methoxyphenoxy)-6-(3-hydroxy-3-methyl-1-butynyl)-1,3,5-triazine"	405240	"NSC722341; CHEMBL184297; NSC-722341; 2-(3'-Hydroxy-3'-methylbut-1'-ynyl)-4,3,5-triazine; 2,4-Bis(4-methoxyphenoxy)-6-(3-hydroxy-3-methyl-1-butynyl)-1,3,5-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722341	.	.	.	.	407.4	C22H21N3O5	95.8	554	3.8	30	1	8	8	"InChI=1S/C22H21N3O5/c1-22(2,26)14-13-19-23-20(29-17-9-5-15(27-3)6-10-17)25-21(24-19)30-18-11-7-16(28-4)8-12-18/h5-12,26H,1-4H3"	CC(C)(C#CC1=NC(=NC(=N1)OC2=CC=C(C=C2)OC)OC3=CC=C(C=C3)OC)O	KVQYSGGZCLIELI-UHFFFAOYSA-N
DG60008	NSC722395	405259	"Ethyl 15-benzyl-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate; NSC722395; CHEMBL1981087; NSC-722395"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722395	.	.	.	.	457.5	C27H23NO6	104	1020	3	34	2	7	5	"InChI=1S/C27H23NO6/c1-3-34-25(32)21-16(2)28(15-17-9-5-4-6-10-17)26(33)14-13-20(29)22-23(30)18-11-7-8-12-19(18)24(31)27(21,22)26/h4-14,30,33H,3,15H2,1-2H3"	CCOC(=O)C1=C(N(C2(C13C(=C(C4=CC=CC=C4C3=O)O)C(=O)C=C2)O)CC5=CC=CC=C5)C	BXTNJRVOVQGUCS-UHFFFAOYSA-N
DG60009	NSC722396	405260	"Ethyl 10-benzyl-2,9-dihydroxy-11-methyl-14,17-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),2,4,6,8,11,15-heptaene-12-carboxylate; NSC722396; CHEMBL1980627; NSC-722396"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722396	.	.	.	.	457.5	C27H23NO6	106	790	5.1	34	2	6	5	"InChI=1S/C27H23NO6/c1-3-34-27(33)22-16(2)28(15-17-9-5-4-6-10-17)26(32)19-12-8-7-11-18(19)25(31)24-21(30)14-13-20(29)23(22)24/h4-14,31-32H,3,15H2,1-2H3"	CCOC(=O)C1=C(N(C(=C2C=CC=CC2=C(C3=C1C(=O)C=CC3=O)O)O)CC4=CC=CC=C4)C	XZIXKRYYLJCWOM-UHFFFAOYSA-N
DG60010	"5-Propyl-5a,10,11-triaza-5aH-benzo[b]fluorene"	405263	"NSC722416; CHEMBL1997126; NSC-722416; 5-Propyl-5a,10,11-triaza-5aH-benzo[b]fluorene; Pyrido[1',2]pyrimido[4,5-b]indole, 12-propyl"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722416	.	.	.	.	261.32	C17H15N3	30.7	417	4.7	20	0	2	2	"InChI=1S/C17H15N3/c1-2-7-14-16-12-8-3-4-9-13(12)18-17(16)19-15-10-5-6-11-20(14)15/h3-6,8-11H,2,7H2,1H3"	CCCC1=C2C3=CC=CC=C3N=C2N=C4N1C=CC=C4	UYZUAUHFKWVRAB-UHFFFAOYSA-N
DG60011	"2-(4-Methylanilino)-9-(tert-butyloxycarbonyl)-1-thia-3,9-diaza-9H-fluorene-4-one"	405281	"NSC722434; CHEMBL1983148; NSC-722434; 2-(4-Methylanilino)-9-(tert-butyloxycarbonyl)-1-thia-3,9-diaza-9H-fluorene-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722434	.	.	.	.	407.5	C22H21N3O3S	98	681	5.2	29	1	4	4	"InChI=1S/C22H21N3O3S/c1-13-9-11-14(12-10-13)23-20-24-18(26)17-15-7-5-6-8-16(15)25(19(17)29-20)21(27)28-22(2,3)4/h5-12H,1-4H3,(H,23,24,26)"	CC1=CC=C(C=C1)NC2=NC(=O)C3=C(S2)N(C4=CC=CC=C43)C(=O)OC(C)(C)C	JRBDEDSKKMNOMV-UHFFFAOYSA-N
DG60012	3-chloro-4-(4-chlorophenyl)-5H-furan-2-one	405305	"NSC722463; CHEMBL2003709; NSC-722463; 3-chloro-4-(4-chlorophenyl)-5H-furan-2-one; 3-Chloro-4-(4-chlorophenyl)-2,5-dihydrofuran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722463	.	.	.	.	229.06	C10H6Cl2O2	26.3	278	2.9	14	0	2	1	"InChI=1S/C10H6Cl2O2/c11-7-3-1-6(2-4-7)8-5-14-10(13)9(8)12/h1-4H,5H2"	C1C(=C(C(=O)O1)Cl)C2=CC=C(C=C2)Cl	LBEBHZUNZRODQF-UHFFFAOYSA-N
DG60013	"2-(4-Methoxybenzylamino)-4-(3,4-dimethoxybenzylamino)-6-(cyclohexylamino)-1,3,5-triazine"	405307	"NSC722500; NYU-TC; CHEMBL1976996; SCHEMBL13359695; NSC-722500; YTC_001209; N-Cyclohexyl-N'-(3,3,5]triazine-2,4,6-triamine; 2-(4-Methoxybenzylamino)-4-(3,4-dimethoxybenzylamino)-6-(cyclohexylamino)-1,3,5-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722500	.	.	.	.	478.6	C26H34N6O3	102	587	5.6	35	3	9	11	"InChI=1S/C26H34N6O3/c1-33-21-12-9-18(10-13-21)16-27-24-30-25(32-26(31-24)29-20-7-5-4-6-8-20)28-17-19-11-14-22(34-2)23(15-19)35-3/h9-15,20H,4-8,16-17H2,1-3H3,(H3,27,28,29,30,31,32)"	COC1=CC=C(C=C1)CNC2=NC(=NC(=N2)NC3CCCCC3)NCC4=CC(=C(C=C4)OC)OC	WOTJIYBLYJDISE-UHFFFAOYSA-N
DG60014	"2-N,4-N-dicyclohexyl-6-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine"	405308	"NSC722501; CHEMBL1973144; N,3,5]triazine-2,4 ,6-triamine; NSC-722501"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722501	.	.	.	.	410.6	C23H34N6O	84	446	6	30	3	7	8	"InChI=1S/C23H34N6O/c1-30-20-14-12-17(13-15-20)16-24-21-27-22(25-18-8-4-2-5-9-18)29-23(28-21)26-19-10-6-3-7-11-19/h12-15,18-19H,2-11,16H2,1H3,(H3,24,25,26,27,28,29)"	COC1=CC=C(C=C1)CNC2=NC(=NC(=N2)NC3CCCCC3)NC4CCCCC4	SLTYMKMZKWJEQM-UHFFFAOYSA-N
DG60015	"N,3,5]triazine-2,4-diamine"	405309	"NSC722502; CHEMBL1971685; SCHEMBL13326034; N,3,5]triazine -2,4-diamine; NSC-722502"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722502	.	.	.	.	436.5	C23H28N6O3	93.7	486	3.6	32	2	9	9	"InChI=1S/C23H28N6O3/c1-30-19-7-3-17(4-8-19)15-24-21-26-22(25-16-18-5-9-20(31-2)10-6-18)28-23(27-21)29-11-13-32-14-12-29/h3-10H,11-16H2,1-2H3,(H2,24,25,26,27,28)"	COC1=CC=C(C=C1)CNC2=NC(=NC(=N2)N3CCOCC3)NCC4=CC=C(C=C4)OC	ZNUCTEYILOKKFE-UHFFFAOYSA-N
DG60016	"2,4-Bis(4-methoxybenzylamino)-6-(isopropylamino)-1,3,5-triazine"	405310	"NSC722503; NYU-TA; SCHEMBL3287040; CHEMBL1968484; NSC-722503; N-Isopropyl-N',3,5]triazine-2, 4,6-triamine; 2,4-Bis(4-methoxybenzylamino)-6-(isopropylamino)-1,3,5-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722503	.	.	.	.	408.5	C22H28N6O2	93.2	431	4.7	30	3	8	10	"InChI=1S/C22H28N6O2/c1-15(2)25-22-27-20(23-13-16-5-9-18(29-3)10-6-16)26-21(28-22)24-14-17-7-11-19(30-4)12-8-17/h5-12,15H,13-14H2,1-4H3,(H3,23,24,25,26,27,28)"	CC(C)NC1=NC(=NC(=N1)NCC2=CC=C(C=C2)OC)NCC3=CC=C(C=C3)OC	HSWUTURWPNHWCX-UHFFFAOYSA-N
DG60017	"N,3,5]triazine-2,4,6-triamine"	405311	"NSC722504; SCHEMBL3289406; CHEMBL1995234; N,3,5]triazine-2,4,6 -triamine; NSC-722504"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722504	.	.	.	.	442.5	C25H26N6O2	93.2	497	5.4	33	3	8	10	"InChI=1S/C25H26N6O2/c1-32-21-12-8-18(9-13-21)16-26-23-29-24(27-17-19-10-14-22(33-2)15-11-19)31-25(30-23)28-20-6-4-3-5-7-20/h3-15H,16-17H2,1-2H3,(H3,26,27,28,29,30,31)"	COC1=CC=C(C=C1)CNC2=NC(=NC(=N2)NC3=CC=CC=C3)NCC4=CC=C(C=C4)OC	YTNIZJUNDZMPCP-UHFFFAOYSA-N
DG60018	2-(4-Ethylpiperazinyl)3-p-methoxybenzoyl quinoxaline	405315	NSC722508; CHEMBL1985293; NSC-722508; 2-(4-ethylpiperazinyl)3-p-methoxybenzoyl quinoxaline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722508	.	.	.	.	376.5	C22H24N4O2	58.6	515	3.5	28	0	6	5	"InChI=1S/C22H24N4O2/c1-3-25-12-14-26(15-13-25)22-20(23-18-6-4-5-7-19(18)24-22)21(27)16-8-10-17(28-2)11-9-16/h4-11H,3,12-15H2,1-2H3"	CCN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(=O)C4=CC=C(C=C4)OC	ZGHHWFMOABNUPC-UHFFFAOYSA-N
DG60019	NSC722517	405320	"N-[[(1R,2S,10R,12R,13S)-12-cyano-8,19-dihydroxy-5,7,16,18-tetramethoxy-6,17,21-trimethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaen-10-yl]methyl]quinoline-2-carboxamide; NSC722517; CHEMBL1972055; SCHEMBL14514017; NSC-722517; N-[[(6S)-1,10-Dihydroxy-2,4,11,13-tetramethoxy-3,12,16-trimethyl-7alpha-cyano-6alpha,15alpha-epimino-6,7,9,14,14aalpha,15-hexahydro-5H-isoquino[3,2-b][3]benzazocine-9beta-yl]methyl]quinoline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722517	.	.	.	.	679.8	C38H41N5O7	150	1270	4.6	50	3	11	7	"InChI=1S/C38H41N5O7/c1-18-34(47-4)21-15-26-31-30-22(35(48-5)19(2)37(50-7)33(30)45)14-25(42(31)3)27(16-39)43(26)28(29(21)32(44)36(18)49-6)17-40-38(46)24-13-12-20-10-8-9-11-23(20)41-24/h8-13,25-28,31,44-45H,14-15,17H2,1-7H3,(H,40,46)/t25-,26-,27-,28-,31-/m0/s1"	CC1=C(C2=C([C@@H](N3[C@@H](C2)[C@H]4C5=C(C[C@@H]([C@@H]3C#N)N4C)C(=C(C(=C5O)OC)C)OC)CNC(=O)C6=NC7=CC=CC=C7C=C6)C(=C1OC)O)OC	MJTJFOMHOQENRK-RIOXTBHYSA-N
DG60020	NSC722518	405321	"N-[[(1R,2S,10R,12R,13S)-12-cyano-8,19-dihydroxy-5,7,16,18-tetramethoxy-6,17,21-trimethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaen-10-yl]methyl]quinoxaline-2-carboxamide; NSC722518; CHEMBL2001599; SCHEMBL14514024; NSC-722518; N-[[(6S)-1,10-Dihydroxy-2,4,11,13-tetramethoxy-3,12,16-trimethyl-7alpha-cyano-6alpha,15alpha-epimino-6,7,9,14,14aalpha,15-hexahydro-5H-isoquino[3,2-b][3]benzazocine-9beta-yl]methyl]quinoxaline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722518	.	.	.	.	680.7	C37H40N6O7	163	1270	3.7	50	3	12	7	"InChI=1S/C37H40N6O7/c1-17-33(47-4)19-13-25-30-29-20(34(48-5)18(2)36(50-7)32(29)45)12-24(42(30)3)26(14-38)43(25)27(28(19)31(44)35(17)49-6)16-40-37(46)23-15-39-21-10-8-9-11-22(21)41-23/h8-11,15,24-27,30,44-45H,12-13,16H2,1-7H3,(H,40,46)/t24-,25-,26-,27-,30-/m0/s1"	CC1=C(C2=C([C@@H](N3[C@@H](C2)[C@H]4C5=C(C[C@@H]([C@@H]3C#N)N4C)C(=C(C(=C5O)OC)C)OC)CNC(=O)C6=NC7=CC=CC=C7N=C6)C(=C1OC)O)OC	HCPZOHBMACPTFR-DJNSEWAMSA-N
DG60021	"8,11-Dichlorocryptolepine hydrochloride"	405328	"NSC722546; CHEMBL1998793; NSC-722546; 8,11-dichlorocryptolepine hydrochloride; 5-methyl,11-dichloro, 10H-indolo[3,2b]quindoline hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722546	.	.	.	.	337.6	C16H11Cl3N2	17.8	378	.	21	1	1	0	"InChI=1S/C16H10Cl2N2.ClH/c1-20-13-5-3-2-4-11(13)14(18)15-16(20)10-7-6-9(17)8-12(10)19-15;/h2-8H,1H3;1H"	CN1C2=CC=CC=C2C(=C3C1=C4C=CC(=CC4=N3)Cl)Cl.Cl	QVMMJOPGKQLGKR-UHFFFAOYSA-N
DG60022	"6,7-Difluorocryptolepine hydrochloride"	405330	"NSC722547; CHEMBL1988636; 6,7-difluorocryptolepine hydrochloride; NSC-722547; 5-methyl,7-difluoro, 10H-indolo[3,2-b]quindoline hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722547	.	.	.	.	304.72	C16H11ClF2N2	17.8	378	.	21	1	3	0	"InChI=1S/C16H10F2N2.ClH/c1-20-13-5-3-2-4-9(13)8-12-16(20)14-11(19-12)7-6-10(17)15(14)18;/h2-8H,1H3;1H"	CN1C2=CC=CC=C2C=C3C1=C4C(=N3)C=CC(=C4F)F.Cl	GNRQOBMJTJLVPX-UHFFFAOYSA-N
DG60023	NSC722558	405335	"N-[3-(dimethylamino)propyl]-4-[[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide; NSC722558; CHEMBL1976552; NSC-722558"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722558	.	.	.	.	616.7	C31H32N6O6S	160	1210	2	44	3	8	10	"InChI=1S/C31H32N6O6S/c1-35(2)13-7-12-32-30(40)26-14-19(17-36(26)3)33-31(41)27-15-20(18-37(27)4)34-44(42,43)21-10-11-24-25(16-21)29(39)23-9-6-5-8-22(23)28(24)38/h5-6,8-11,14-18,34H,7,12-13H2,1-4H3,(H,32,40)(H,33,41)"	CN1C=C(C=C1C(=O)NCCCN(C)C)NC(=O)C2=CC(=CN2C)NS(=O)(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O	ODMGGZOFYMGTCV-UHFFFAOYSA-N
DG60024	"N-[3-(dimethylamino)propyl]-4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]-1-methylpyrrole-2-carboxamide"	405340	NSC722563; CHEMBL1973534; NSC-722563	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722563	.	.	.	.	494.6	C25H26N4O5S	126	917	2.1	35	2	7	8	"InChI=1S/C25H26N4O5S/c1-28(2)12-6-11-26-25(32)22-13-16(15-29(22)3)27-35(33,34)17-9-10-20-21(14-17)24(31)19-8-5-4-7-18(19)23(20)30/h4-5,7-10,13-15,27H,6,11-12H2,1-3H3,(H,26,32)"	CN1C=C(C=C1C(=O)NCCCN(C)C)NS(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O	ANCRTFGULDCQCO-UHFFFAOYSA-N
DG60025	NSC722564	405341	"Ethyl 9,14-dihydroxy-16-methyl-15-(4-methylphenyl)-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate; NSC722564; CHEMBL1999553; NSC-722564"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722564	.	.	.	.	457.5	C27H23NO6	104	1030	3.5	34	2	7	4	"InChI=1S/C27H23NO6/c1-4-34-25(32)21-16(3)28(17-11-9-15(2)10-12-17)26(33)14-13-20(29)22-23(30)18-7-5-6-8-19(18)24(31)27(21,22)26/h5-14,30,33H,4H2,1-3H3"	CCOC(=O)C1=C(N(C2(C13C(=C(C4=CC=CC=C4C3=O)O)C(=O)C=C2)O)C5=CC=C(C=C5)C)C	NGPZXSYROLDHLM-UHFFFAOYSA-N
DG60026	"9,14-Dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carbonitrile"	405342	NSC722565; CHEMBL2006034; NSC-722565	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722565	.	.	.	.	320.3	C18H12N2O4	110	827	0.9	24	3	6	0	"InChI=1S/C18H12N2O4/c1-9-12(8-19)18-14(13(21)6-7-17(18,24)20-9)15(22)10-4-2-3-5-11(10)16(18)23/h2-7,20,22,24H,1H3"	CC1=C(C23C(=C(C4=CC=CC=C4C2=O)O)C(=O)C=CC3(N1)O)C#N	HTBXZERVJGBJKZ-UHFFFAOYSA-N
DG60027	NSC722566	405343	"9,14-Dihydroxy-5,5-dimethyl-8-phenyl-8-azapentacyclo[11.8.0.01,9.02,7.015,20]henicosa-2(7),10,13,15,17,19-hexaene-3,12,21-trione; NSC722566; CHEMBL1992842; NSC-722566"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722566	.	.	.	.	453.5	C28H23NO5	94.9	1090	3.4	34	2	6	1	"InChI=1S/C28H23NO5/c1-26(2)14-19-22(21(31)15-26)28-23(24(32)17-10-6-7-11-18(17)25(28)33)20(30)12-13-27(28,34)29(19)16-8-4-3-5-9-16/h3-13,32,34H,14-15H2,1-2H3"	CC1(CC2=C(C(=O)C1)C34C(=C(C5=CC=CC=C5C3=O)O)C(=O)C=CC4(N2C6=CC=CC=C6)O)C	MNYFWXJHHGUDLX-UHFFFAOYSA-N
DG60028	"ethyl 5-hydroxy-2-methyl-1-(4-methylphenyl)-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate"	405344	NSC722567; CHEMBL1994719; NSC-722567	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722567	.	.	.	.	402.5	C25H26N2O3	67.2	634	5.6	30	2	3	4	"InChI=1S/C25H26N2O3/c1-4-30-25(29)21-15(3)27(16-11-9-14(2)10-12-16)24-18(21)13-20(28)23-22(24)17-7-5-6-8-19(17)26-23/h9-13,26,28H,4-8H2,1-3H3"	CCOC(=O)C1=C(N(C2=C3C4=C(CCCC4)NC3=C(C=C12)O)C5=CC=C(C=C5)C)C	KPPLKOAYRJBPAO-UHFFFAOYSA-N
DG60029	"ethyl 1-(4-chlorophenyl)-5-hydroxy-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate"	405345	NSC722568; CHEMBL1970948; NSC-722568	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722568	.	.	.	.	422.9	C24H23ClN2O3	67.2	640	5.9	30	2	3	4	"InChI=1S/C24H23ClN2O3/c1-3-30-24(29)20-13(2)27(15-10-8-14(25)9-11-15)23-17(20)12-19(28)22-21(23)16-6-4-5-7-18(16)26-22/h8-12,26,28H,3-7H2,1-2H3"	CCOC(=O)C1=C(N(C2=C3C4=C(CCCC4)NC3=C(C=C12)O)C5=CC=C(C=C5)Cl)C	ORFLNEXNANZXDB-UHFFFAOYSA-N
DG60030	"11-benzyl-2,3-dimethyl-8,9-dihydro-7H-pyrazino[2,3-a]carbazole-5,6,10-trione"	405346	NSC722569; CHEMBL2006825; NSC-722569	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722569	.	.	.	.	385.4	C23H19N3O3	81.9	704	2.5	29	0	5	2	"InChI=1S/C23H19N3O3/c1-12-13(2)25-19-18(24-12)21-17(22(28)23(19)29)15-9-6-10-16(27)20(15)26(21)11-14-7-4-3-5-8-14/h3-5,7-8H,6,9-11H2,1-2H3"	CC1=C(N=C2C(=N1)C3=C(C4=C(N3CC5=CC=CC=C5)C(=O)CCC4)C(=O)C2=O)C	OTIVGUJQNBINMY-UHFFFAOYSA-N
DG60031	"ethyl 1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate"	405349	NSC722572; CHEMBL2007207; NSC-722572	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722572	.	.	.	.	471.4	C25H24Cl2N2O3	67.2	696	6.5	32	2	3	5	"InChI=1S/C25H24Cl2N2O3/c1-3-32-25(31)21-13(2)29(12-14-8-9-15(26)10-18(14)27)24-17(21)11-20(30)23-22(24)16-6-4-5-7-19(16)28-23/h8-11,28,30H,3-7,12H2,1-2H3"	CCOC(=O)C1=C(N(C2=C3C4=C(CCCC4)NC3=C(C=C12)O)CC5=C(C=C(C=C5)Cl)Cl)C	LOIJSVXBDXEENQ-UHFFFAOYSA-N
DG60032	"ethyl 5-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate"	405350	NSC722573; NSC-722573	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722573	.	.	.	.	432.5	C26H28N2O4	76.5	666	5.2	32	2	4	6	"InChI=1S/C26H28N2O4/c1-4-32-26(30)22-15(2)28(14-16-9-11-17(31-3)12-10-16)25-19(22)13-21(29)24-23(25)18-7-5-6-8-20(18)27-24/h9-13,27,29H,4-8,14H2,1-3H3"	CCOC(=O)C1=C(N(C2=C3C4=C(CCCC4)NC3=C(C=C12)O)CC5=CC=C(C=C5)OC)C	XTNNUQLGXGSGMM-UHFFFAOYSA-N
DG60033	"3-Acetyl-3a-chloro-5,11b-dihydroxy-2-methyl-1-phenylnaphtho[2,3-g]indole-6,11-dione"	405353	NSC722576; CHEMBL1990327; NSC-722576	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722576	.	.	.	.	447.9	C25H18ClNO5	94.9	1020	3	32	2	6	2	"InChI=1S/C25H18ClNO5/c1-13-20(14(2)28)24(26)12-18(29)19-21(23(31)17-11-7-6-10-16(17)22(19)30)25(24,32)27(13)15-8-4-3-5-9-15/h3-12,29,32H,1-2H3"	CC1=C(C2(C=C(C3=C(C2(N1C4=CC=CC=C4)O)C(=O)C5=CC=CC=C5C3=O)O)Cl)C(=O)C	SDEXRDSIOLKIPO-UHFFFAOYSA-N
DG60034	NSC722650	405408	"N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrazol-3-yl]-5-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-2-methylpyrazole-3-carboxamide; NSC722650; CHEMBL1992803; NSC-722650"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722650	.	.	.	.	662.7	C32H42N10O6	177	1170	0.7	48	3	10	14	"InChI=1S/C32H42N10O6/c1-39(2)12-8-11-33-30(44)23-17-28(38-40(23)3)36-31(45)24-18-27(37-41(24)4)35-29(43)10-7-14-48-26-16-22-21(15-25(26)47-5)32(46)42-13-6-9-20(42)19-34-22/h15-20H,6-14H2,1-5H3,(H,33,44)(H,35,37,43)(H,36,38,45)"	CN1C(=CC(=N1)NC(=O)CCCOC2=C(C=C3C(=C2)N=CC4CCCN4C3=O)OC)C(=O)NC5=NN(C(=C5)C(=O)NCCCN(C)C)C	HYKJXARONSRIMT-UHFFFAOYSA-N
DG60035	NSC722651	405409	"N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazol-3-yl]-5-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-2-methylpyrazole-3-carboxamide; NSC722651; CHEMBL2006004; NSC-722651"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722651	.	.	.	.	785.9	C37H47N13O7	224	1470	0.5	57	4	12	16	"InChI=1S/C37H47N13O7/c1-46(2)13-9-12-38-34(52)25-18-31(44-47(25)3)41-36(54)27-20-32(45-49(27)5)42-35(53)26-19-30(43-48(26)4)40-33(51)11-8-15-57-29-17-24-23(16-28(29)56-6)37(55)50-14-7-10-22(50)21-39-24/h16-22H,7-15H2,1-6H3,(H,38,52)(H,40,43,51)(H,41,44,54)(H,42,45,53)"	CN1C(=CC(=N1)NC(=O)CCCOC2=C(C=C3C(=C2)N=CC4CCCN4C3=O)OC)C(=O)NC5=NN(C(=C5)C(=O)NC6=NN(C(=C6)C(=O)NCCCN(C)C)C)C	NZWFISHYJFCBOO-UHFFFAOYSA-N
DG60036	NSC722653	405411	"N-[3-(dimethylamino)propyl]-5-[[4-[[4-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-2-methylpyrazole-3-carboxamide; NSC722653; CHEMBL2005343; NSC-722653"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722653	.	.	.	.	783.9	C39H49N11O7	198	1470	0.7	57	4	10	16	"InChI=1S/C39H49N11O7/c1-46(2)13-9-12-40-36(52)31-20-34(45-49(31)5)44-38(54)30-17-25(23-48(30)4)43-37(53)29-16-24(22-47(29)3)42-35(51)11-8-15-57-33-19-28-27(18-32(33)56-6)39(55)50-14-7-10-26(50)21-41-28/h16-23,26H,7-15H2,1-6H3,(H,40,52)(H,42,51)(H,43,53)(H,44,45,54)"	CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=NN(C(=C3)C(=O)NCCCN(C)C)C)C)NC(=O)CCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC	HHCOSHCWMAVZGH-UHFFFAOYSA-N
DG60037	NSC722663	405421	"(2S)-N-[(2S,3R)-4-[(3R,4aR,8aR)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide;methanesulfonic acid; NSC722663; NSC-722663; SQV"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722663	.	.	.	.	766.9	C39H54N6O8S	230	1230	.	54	6	10	13	"InChI=1S/C38H50N6O5.CH4O3S/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29;1-5(2,3)4/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49);1H3,(H,2,3,4)/t26-,27+,30+,31+,32-,33-;/m1./s1"	CC(C)(C)NC(=O)[C@H]1C[C@H]2CCCC[C@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O.CS(=O)(=O)O	IRHXGOXEBNJUSN-KQBSJITFSA-N
DG60038	"2-Oxo-4-phenyl-1,3,4-tetrahydro-benz[4,5]imidazo[1,2-a]pyr imidine-3-carboxaldehyde"	405423	"NSC722730; CHEMBL1987861; NSC-722730; 2-Oxo-4-phenyl-1,3,4-tetrahydro-benz[4,5]imidazo[1,2-a]pyr imidine-3-carboxaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722730	.	.	.	.	291.3	C17H13N3O2	64	449	2	22	1	3	2	"InChI=1S/C17H13N3O2/c21-10-12-15(11-6-2-1-3-7-11)20-14-9-5-4-8-13(14)18-17(20)19-16(12)22/h1-10,12,15H,(H,18,19,22)"	C1=CC=C(C=C1)C2C(C(=O)NC3=NC4=CC=CC=C4N23)C=O	GEBCMIXSWGTRGO-UHFFFAOYSA-N
DG60039	"2-Chloro-4-phenyl-3,5]imidazo[1,2-a]pyrimidin-3-car boxaldehyde"	405424	"NSC722731; CHEMBL1975464; NSC-722731; 2-Chloro-4-phenyl-3,5]imidazo[1,2-a]pyrimidin-3-car boxaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722731	.	.	.	.	309.7	C17H12ClN3O	47.2	463	3.3	22	0	3	2	"InChI=1S/C17H12ClN3O/c18-16-12(10-22)15(11-6-2-1-3-7-11)21-14-9-5-4-8-13(14)19-17(21)20-16/h1-10,12,15H"	C1=CC=C(C=C1)C2C(C(=NC3=NC4=CC=CC=C4N23)Cl)C=O	FXYISUXJBAKDBA-UHFFFAOYSA-N
DG60040	"4-(4-Methoxy-phenyl)-2-(4-methyl-piperazin-1-yl)-3,5]imidazo[1,2-a]pyrimidine-3-carboxyaldehyde"	405432	"NSC722739; CHEMBL1964473; NSC-722739; 4-(4-Methoxy-phenyl)-2-(4-methyl-piperazin-1-yl)-3,5]imidazo[1,2-a]pyrimidine-3-carboxyaldehyde; 4-(4-methoxyphenyl)-2-(4-methylpiperazin-1 -yl)-3,4-dihydrobenzo[4,5]imidazo [1,2-a]pyrimidine-3-carboxaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722739	.	.	.	.	403.5	C23H25N5O2	63	642	2.1	30	0	5	4	"InChI=1S/C23H25N5O2/c1-26-11-13-27(14-12-26)22-18(15-29)21(16-7-9-17(30-2)10-8-16)28-20-6-4-3-5-19(20)24-23(28)25-22/h3-10,15,18,21H,11-14H2,1-2H3"	CN1CCN(CC1)C2=NC3=NC4=CC=CC=C4N3C(C2C=O)C5=CC=C(C=C5)OC	FLLIYCKHQKTESP-UHFFFAOYSA-N
DG60041	"2-Chloro-4-(4-nitrophenyl)-3,5]imidazo[1,2-a]pyrimidine-3-carboxaldehyde"	405436	"NSC722743; CHEMBL2000851; NSC-722743; 2-Chloro-4-(4-nitrophenyl)-3,5]imidazo[1,2 -a]pyrimidine-3-carboxaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722743	.	.	.	.	354.7	C17H11ClN4O3	93.1	573	3.2	25	0	5	2	"InChI=1S/C17H11ClN4O3/c18-16-12(9-23)15(10-5-7-11(8-6-10)22(24)25)21-14-4-2-1-3-13(14)19-17(21)20-16/h1-9,12,15H"	C1=CC=C2C(=C1)N=C3N2C(C(C(=N3)Cl)C=O)C4=CC=C(C=C4)[N+](=O)[O-]	IIHHDYRUNUHMBF-UHFFFAOYSA-N
DG60042	"N,N-Diethyl-N'-(benzo[g]quinoline-4-yl)pentane-1,4-diamine"	405448	"GNF-Pf-2175; NSC722779; CBDivE_004861; CHEMBL1198300; STK525332; AKOS005458825; MCULE-6618183291; NSC-722779; N,N-Diethyl-N'-(benzo[g]quinoline-4-yl)pentane-1,4-diamine; N~4~-(benzo[g]quinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine; 22773-13-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722779	.	.	.	.	335.5	C22H29N3	28.2	382	5	25	1	3	8	"InChI=1S/C22H29N3/c1-4-25(5-2)14-8-9-17(3)24-21-12-13-23-22-16-19-11-7-6-10-18(19)15-20(21)22/h6-7,10-13,15-17H,4-5,8-9,14H2,1-3H3,(H,23,24)"	CCN(CC)CCCC(C)NC1=CC=NC2=CC3=CC=CC=C3C=C12	OUAJLVIMXOMBTL-UHFFFAOYSA-N
DG60043	trans-bis(acetato)amminepyridineplatinum(II)	405450	NSC722781; NSC-722781; trans-bis(acetato)amminepyridineplatinum(II); trans-[Pt(II)(CH3CO2)2(NH3)(pyridine)]	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722781	.	.	.	.	408.29	C9H13N2O4Pt-	94.2	152	.	16	1	6	2	"InChI=1S/C5H5N.2C2H4O2.H2N.Pt/c1-2-4-6-5-3-1;2*1-2(3)4;;/h1-5H;2*1H3,(H,3,4);1H2;/q;;;-1;+2/p-2"	CC(=O)[O-].CC(=O)[O-].C1=CC=NC=C1.[NH2-].[Pt+2]	LXMWWZMSIMWHTF-UHFFFAOYSA-L
DG60044	trans-bis(acetato)ammineisoquinolineplatinum(II)	405451	NSC722782; NSC-722782; trans-bis(acetato)ammineisoquinolineplatinum(II); trans-[Pt(II)(CH3CO2)2(NH3)(isoquinoline)]	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722782	.	.	.	.	458.35	C13H15N2O4Pt-	94.2	253	.	20	1	6	2	"InChI=1S/C9H7N.2C2H4O2.H2N.Pt/c1-2-4-9-7-10-6-5-8(9)3-1;2*1-2(3)4;;/h1-7H;2*1H3,(H,3,4);1H2;/q;;;-1;+2/p-2"	CC(=O)[O-].CC(=O)[O-].C1=CC=C2C=NC=CC2=C1.[NH2-].[Pt+2]	HRNANLRZBUMKGM-UHFFFAOYSA-L
DG60045	"6,4-di-N-oxide-2-bencyloxicarbonyl-3methylquinox aline"	405496	"NSC722853; CHEMBL2006107; NSC-722853; 6,4-di-N-oxide-2-bencyloxicarbonyl-3methylquinox aline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722853	.	.	.	.	346.28	C17H12F2N2O4	72.7	577	2.2	25	0	7	4	"InChI=1S/C17H12F2N2O4/c1-10-16(17(22)25-9-11-5-3-2-4-6-11)21(24)15-8-13(19)12(18)7-14(15)20(10)23/h2-8H,9H2,1H3"	CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)C(=O)OCC3=CC=CC=C3	BFOBPUXZPPPYES-UHFFFAOYSA-N
DG60046	"1,4-di-N-oxide-2-phenylcarbonyl-3-trifluoromethylquinoxaline"	405497	"NSC722854; CHEMBL1774813; NSC-722854; 1,4-di-N-oxide-2-phenylcarbonyl-3-trifluoromethylquinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722854	.	.	.	.	334.25	C16H9F3N2O3	63.4	567	2.5	24	0	7	2	"InChI=1S/C16H9F3N2O3/c17-16(18,19)15-13(14(22)10-6-2-1-3-7-10)20(23)11-8-4-5-9-12(11)21(15)24/h1-9H"	C1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C(F)(F)F	XVCGPNCBQNYBMA-UHFFFAOYSA-N
DG60047	"4,15-Diazapentacyclo[12.7.0.02,6.07,13.016,21]henicosa-1(14),2(6),7(13),16,18,20-hexaene-3,5,10-trione"	405501	NSC722858; CHEMBL1973701; NSC-722858	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722858	.	.	.	.	318.3	C19H14N2O3	79	603	2.2	24	2	3	0	"InChI=1S/C19H14N2O3/c22-9-5-7-10-11(8-6-9)17-14(12-3-1-2-4-13(12)20-17)16-15(10)18(23)21-19(16)24/h1-4,20H,5-8H2,(H,21,23,24)"	C1CC2=C(CCC1=O)C3=C(C4=CC=CC=C4N3)C5=C2C(=O)NC5=O	CVTAAFYDYQVXMP-UHFFFAOYSA-N
DG60048	NSC722859	405502	"15-(3-Aminopropyl)-10-hydroxy-4,15-diazapentacyclo[12.7.0.02,6.07,13.016,21]henicosa-1(14),2(6),7(13),16,18,20-hexaene-3,5-dione;2,2,2-trifluoroacetic acid; NSC722859; CHEMBL2007026; NSC-722859"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722859	.	.	.	.	491.5	C24H24F3N3O5	135	724	.	35	4	9	3	"InChI=1S/C22H23N3O3.C2HF3O2/c23-10-3-11-25-16-5-2-1-4-15(16)17-19-18(21(27)24-22(19)28)13-8-6-12(26)7-9-14(13)20(17)25;3-2(4,5)1(6)7/h1-2,4-5,12,26H,3,6-11,23H2,(H,24,27,28);(H,6,7)"	C1CC2=C(CCC1O)C3=C(C4=CC=CC=C4N3CCCN)C5=C2C(=O)NC5=O.C(=O)(C(F)(F)F)O	OIWSZEJNQCRDSJ-UHFFFAOYSA-N
DG60049	"3-(4-Methylphenyl)-4-(4-nitrophenyl)isothiochromeno[3,2]oxazine"	405550	"NSC722913; CHEMBL2298744; NSC-722913; 3-(4-methylphenyl)-4-(4-nitrophenyl)isothiochromeno[3,2]oxazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722913	.	.	.	.	412.5	C24H16N2O3S	92.7	919	5.3	30	0	5	2	"InChI=1S/C24H16N2O3S/c1-15-6-8-17(9-7-15)22-21(16-10-12-19(13-11-16)26(27)28)24-23(29-25-22)20-5-3-2-4-18(20)14-30-24/h2-14H,1H3"	CC1=CC=C(C=C1)C2=NOC3=C4C=CC=CC4=CSC3=C2C5=CC=C(C=C5)[N+](=O)[O-]	JAXAFIVGWYKQHK-UHFFFAOYSA-N
DG60050	"3-(4-Methoxyphenyl)-4-phenylisothiochromeno[3,2]oxazi ne"	405553	"NSC722916; CHEMBL2298748; NSC-722916; 3-(4-methoxyphenyl)-4-phenylisothiochromeno[3,2]oxazi ne"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722916	.	.	.	.	383.5	C24H17NO2S	56.1	816	5.1	28	0	4	3	"InChI=1S/C24H17NO2S/c1-26-19-13-11-17(12-14-19)22-21(16-7-3-2-4-8-16)24-23(27-25-22)20-10-6-5-9-18(20)15-28-24/h2-15H,1H3"	COC1=CC=C(C=C1)C2=NOC3=C4C=CC=CC4=CSC3=C2C5=CC=CC=C5	QJZCXUWXWCDMQL-UHFFFAOYSA-N
DG60051	"4,6-Bis(ethylthio)-1H-pyrazolo[3,4-d]pyrimidine"	405572	"4,6-Bis(ethylthio)-1H-pyrazolo[3,4-d]pyrimidine; 70011-73-3; 4,6-bis(ethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine; NSC722940; ZINC5884562; NSC-722940; 4,6-Di(ethylthio)-1H-pyrazolo[3,4-d]pyrimidine; 1h-pyrazolo[3,4-d]pyrimidine,4,6-bis(ethylthio)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722940	.	.	.	.	240.4	C9H12N4S2	105	205	2.6	15	1	5	4	"InChI=1S/C9H12N4S2/c1-3-14-8-6-5-10-13-7(6)11-9(12-8)15-4-2/h5H,3-4H2,1-2H3,(H,10,11,12,13)"	CCSC1=NC(=NC2=C1C=NN2)SCC	UGHIWOKEDLUUTN-UHFFFAOYSA-N
DG60052	"4-Amino-6-ethylthio-1-methylpyrazolo[3,4-d]pyrimidine"	405580	"NSC722948; NSC-722948; 4-Amino-6-ethylthio-1-methylpyrazolo[3,4-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722948	.	.	.	.	337.19	C8H12IN5S	94.9	202	.	15	2	5	2	"InChI=1S/C8H11N5S.HI/c1-3-14-8-11-6(9)5-4-10-13(2)7(5)12-8;/h4H,3H2,1-2H3,(H2,9,11,12);1H"	CCSC1=NC(=C2C=NN(C2=N1)C)N.I	UNNVJZKWFWLRQC-UHFFFAOYSA-N
DG60053	"6-Ethylthio-4-morpholinopyrazolo[3,4-d]pyrimidine"	405595	"NSC722962; CHEMBL1972550; NSC-722962; 6-Ethylthio-4-morpholinopyrazolo[3,4-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722962	.	.	.	.	265.34	C11H15N5OS	92.2	276	1.5	18	1	6	3	"InChI=1S/C11H15N5OS/c1-2-18-11-13-9-8(7-12-15-9)10(14-11)16-3-5-17-6-4-16/h7H,2-6H2,1H3,(H,12,13,14,15)"	CCSC1=NC2=C(C=NN2)C(=N1)N3CCOCC3	UYOOKYLKIQRJKB-UHFFFAOYSA-N
DG60054	"4-Amino-1-methyl-6-piperidinopyrazolo[3,4-d]pyrimidine"	405596	"NSC722963; 4-Amino-1-methyl-6-piperidinopyrazolo[3,4-d]pyrimidine; NSC-722963"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722963	.	.	.	.	232.29	C11H16N6	72.9	267	1.1	17	1	5	1	"InChI=1S/C11H16N6/c1-16-10-8(7-13-16)9(12)14-11(15-10)17-5-3-2-4-6-17/h7H,2-6H2,1H3,(H2,12,14,15)"	CN1C2=NC(=NC(=C2C=N1)N)N3CCCCC3	XOQXMHMLTPLJEX-UHFFFAOYSA-N
DG60055	"1-[(Dimethylamino)methyl]-2-hydroxy-5-methyl-5h-benzo[b]carbazole-6,11-dione"	405604	"NSC722974; CHEMBL1970356; 1-[(dimethylamino)methyl]-2-hydroxy-5-methyl-5h-benzo[b]carbazole-6,11-dione; NSC-722974"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722974	.	.	.	.	334.4	C20H18N2O3	62.5	563	2.8	25	1	4	2	"InChI=1S/C20H18N2O3/c1-21(2)10-13-15(23)9-8-14-16(13)17-18(22(14)3)20(25)12-7-5-4-6-11(12)19(17)24/h4-9,23H,10H2,1-3H3"	CN1C2=C(C(=C(C=C2)O)CN(C)C)C3=C1C(=O)C4=CC=CC=C4C3=O	DSFNYWHDFYBZEX-UHFFFAOYSA-N
DG60056	"9-acetyl-6a-hydroxy-8-methyl-7-(4-methylphenyl)-2-phenyl-3aH-pyrrolo[3,4-d]indole-1,3,4-trione"	405607	NSC722977; CHEMBL2004738; NSC-722977	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722977	.	.	.	.	442.5	C26H22N2O5	95	985	2.1	33	1	6	3	"InChI=1S/C26H22N2O5/c1-15-9-11-19(12-10-15)28-16(2)21(17(3)29)26-22(20(30)13-14-25(26,28)33)23(31)27(24(26)32)18-7-5-4-6-8-18/h4-14,22,33H,1-3H3"	CC1=CC=C(C=C1)N2C(=C(C34C2(C=CC(=O)C3C(=O)N(C4=O)C5=CC=CC=C5)O)C(=O)C)C	TWUBEYLDOQKVQB-UHFFFAOYSA-N
DG60057	"17-Acetyl-9,14-dihydroxy-16-methyl-15-phenyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione"	405611	NSC722981; CHEMBL1999080; NSC-722981	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722981	.	.	.	.	413.4	C25H19NO5	94.9	968	2.6	31	2	6	2	"InChI=1S/C25H19NO5/c1-14-20(15(2)27)25-21(22(29)17-10-6-7-11-18(17)23(25)30)19(28)12-13-24(25,31)26(14)16-8-4-3-5-9-16/h3-13,29,31H,1-2H3"	CC1=C(C23C(=C(C4=CC=CC=C4C2=O)O)C(=O)C=CC3(N1C5=CC=CC=C5)O)C(=O)C	NEOGUPBLFPVJRQ-UHFFFAOYSA-N
DG60058	NSC722982	405612	"17-Acetyl-9,14-dihydroxy-16-methyl-15-(4-methylphenyl)-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione; NSC722982; CHEMBL1998763; NSC-722982"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722982	.	.	.	.	427.4	C26H21NO5	94.9	998	2.9	32	2	6	2	"InChI=1S/C26H21NO5/c1-14-8-10-17(11-9-14)27-15(2)21(16(3)28)26-22(20(29)12-13-25(26,27)32)23(30)18-6-4-5-7-19(18)24(26)31/h4-13,30,32H,1-3H3"	CC1=CC=C(C=C1)N2C(=C(C34C2(C=CC(=O)C3=C(C5=CC=CC=C5C4=O)O)O)C(=O)C)C	FCALTQCBAAOVOL-UHFFFAOYSA-N
DG60059	"ethyl 7-benzyl-6a-hydroxy-6-methoxy-8-methyl-1,3,4-trioxo-2-phenyl-5,6-dihydro-3aH-pyrrolo[3,4-d]indole-9-carboxylate"	405615	NSC722985; CHEMBL1989330; NSC-722985	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722985	.	.	.	.	504.5	C28H28N2O7	113	1010	1.8	37	1	8	7	"InChI=1S/C28H28N2O7/c1-4-37-25(33)22-17(2)29(16-18-11-7-5-8-12-18)28(35)21(36-3)15-20(31)23-24(32)30(26(34)27(22,23)28)19-13-9-6-10-14-19/h5-14,21,23,35H,4,15-16H2,1-3H3"	CCOC(=O)C1=C(N(C2(C13C(C(=O)CC2OC)C(=O)N(C3=O)C4=CC=CC=C4)O)CC5=CC=CC=C5)C	SWTNXDZXWWJKQC-UHFFFAOYSA-N
DG60060	"ethyl 7-[(2,4-dichlorophenyl)methyl]-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate"	405617	NSC722987; CHEMBL1992135; NSC-722987	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722987	.	.	.	.	541.4	C27H22Cl2N2O6	104	1080	3.5	37	1	7	6	"InChI=1S/C27H22Cl2N2O6/c1-3-37-24(34)21-15(2)30(14-16-9-10-17(28)13-19(16)29)26(36)12-11-20(32)22-23(33)31(25(35)27(21,22)26)18-7-5-4-6-8-18/h4-13,22,36H,3,14H2,1-2H3"	CCOC(=O)C1=C(N(C2(C13C(C(=O)C=C2)C(=O)N(C3=O)C4=CC=CC=C4)O)CC5=C(C=C(C=C5)Cl)Cl)C	WJFPSRHKGRYMDZ-UHFFFAOYSA-N
DG60061	"Triethyl 2-methyl-1-(4-methylphenyl)-5-oxobenzo[g]indole-3,4,4-tricarboxylate"	405619	NSC722989; CHEMBL2005726; NSC-722989	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722989	.	.	.	.	503.5	C29H29NO7	101	862	5.2	37	0	7	10	"InChI=1S/C29H29NO7/c1-6-35-26(32)22-18(5)30(19-15-13-17(4)14-16-19)24-20-11-9-10-12-21(20)25(31)29(23(22)24,27(33)36-7-2)28(34)37-8-3/h9-16H,6-8H2,1-5H3"	CCOC(=O)C1=C(N(C2=C1C(C(=O)C3=CC=CC=C32)(C(=O)OCC)C(=O)OCC)C4=CC=C(C=C4)C)C	UAPSRTCRCQEISM-UHFFFAOYSA-N
DG60062	NSC722990	405620	"ethyl 7-[(2,4-dichlorophenyl)methyl]-6a-hydroxy-6-methoxy-8-methyl-1,3,4-trioxo-2-phenyl-5,6-dihydro-3aH-pyrrolo[3,4-d]indole-9-carboxylate; NSC722990; CHEMBL1996717; NSC-722990"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722990	.	.	.	.	573.4	C28H26Cl2N2O7	113	1090	3	39	1	8	7	"InChI=1S/C28H26Cl2N2O7/c1-4-39-25(35)22-15(2)31(14-16-10-11-17(29)12-19(16)30)28(37)21(38-3)13-20(33)23-24(34)32(26(36)27(22,23)28)18-8-6-5-7-9-18/h5-12,21,23,37H,4,13-14H2,1-3H3"	CCOC(=O)C1=C(N(C2(C13C(C(=O)CC2OC)C(=O)N(C3=O)C4=CC=CC=C4)O)CC5=C(C=C(C=C5)Cl)Cl)C	LJUNDBXGQFYTAM-UHFFFAOYSA-N
DG60063	"3-Acetyl-3a-chloro-5,11b-dihydroxy-2-methyl-1-(4-methylphenyl)naphtho[2,3-g]indole-6,11-dione"	405625	NSC722995; CHEMBL1971984; NSC-722995	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722995	.	.	.	.	461.9	C26H20ClNO5	94.9	1050	3.4	33	2	6	2	"InChI=1S/C26H20ClNO5/c1-13-8-10-16(11-9-13)28-14(2)21(15(3)29)25(27)12-19(30)20-22(26(25,28)33)24(32)18-7-5-4-6-17(18)23(20)31/h4-12,30,33H,1-3H3"	CC1=CC=C(C=C1)N2C(=C(C3(C2(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)O)Cl)C(=O)C)C	XLRFSXXMTIHPOE-UHFFFAOYSA-N
DG60064	"1H-Naphth[2,3-d]imidazole, 2-[(4-chlorophenyl)methyl]-"	405626	"NSC722996; 676530-54-4; 1H-Naphth[2,3-d]imidazole, 2-[(4-chlorophenyl)methyl]-; DTXSID40328078; NSC-722996; 2-(4-chloro-benzyl)-1H-naphth[2,3-d]imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722996	.	.	.	.	292.8	C18H13ClN2	28.7	353	5	21	1	1	2	"InChI=1S/C18H13ClN2/c19-15-7-5-12(6-8-15)9-18-20-16-10-13-3-1-2-4-14(13)11-17(16)21-18/h1-8,10-11H,9H2,(H,20,21)"	C1=CC=C2C=C3C(=CC2=C1)NC(=N3)CC4=CC=C(C=C4)Cl	PVBAXBYVEKRZIV-UHFFFAOYSA-N
DG60065	"2-[(3,4-dichlorophenyl)methyl]-1H-benzo[f]benzimidazole"	405627	NSC722997; CHEMBL1965893; NSC-722997	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722997	.	.	.	.	327.2	C18H12Cl2N2	28.7	391	5.6	22	1	1	2	"InChI=1S/C18H12Cl2N2/c19-14-6-5-11(7-15(14)20)8-18-21-16-9-12-3-1-2-4-13(12)10-17(16)22-18/h1-7,9-10H,8H2,(H,21,22)"	C1=CC=C2C=C3C(=CC2=C1)NC(=N3)CC4=CC(=C(C=C4)Cl)Cl	ZPZKXVCABZIJGD-UHFFFAOYSA-N
DG60066	"2-(4-trifluoromethyl-benzyl)-1H-naphth[2,3-d]imidazole"	405628	"NSC722998; CHEMBL1997456; NSC-722998; 2-(4-trifluoromethyl-benzyl)-1H-naphth[2,3-d]imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722998	.	.	.	.	326.3	C19H13F3N2	28.7	431	5.2	24	1	4	2	"InChI=1S/C19H13F3N2/c20-19(21,22)15-7-5-12(6-8-15)9-18-23-16-10-13-3-1-2-4-14(13)11-17(16)24-18/h1-8,10-11H,9H2,(H,23,24)"	C1=CC=C2C=C3C(=CC2=C1)NC(=N3)CC4=CC=C(C=C4)C(F)(F)F	ZANNGVLYTWCJAM-UHFFFAOYSA-N
DG60067	Diethyl-N[4-(3-thienylquinoxalyn-2-yl)oxiphenylacetyl]-L-glu tamate	405631	NSC723001; CHEMBL1985543; NSC-723001; Diethyl-N[4-(3-thienylquinoxalyn-2-yl)oxiphenylacetyl]-L-glu tamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723001	.	.	.	.	547.6	C29H29N3O6S	145	808	4.5	39	1	9	14	"InChI=1S/C29H29N3O6S/c1-3-36-26(34)16-15-23(29(35)37-4-2)30-25(33)18-19-11-13-20(14-12-19)38-28-27(24-10-7-17-39-24)31-21-8-5-6-9-22(21)32-28/h5-14,17,23H,3-4,15-16,18H2,1-2H3,(H,30,33)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)CC1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2C4=CC=CS4	SIASVBMLZKQYEJ-UHFFFAOYSA-N
DG60068	"6-Benzylthio-4-morpholinopyrazolo[3,4-d]pyrimidine"	405659	"NSC723118; CHEMBL1975891; NSC-723118; 6-Benzylthio-4-morpholinopyrazolo[3,4-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723118	.	.	.	.	327.4	C16H17N5OS	92.2	376	2.6	23	1	6	4	"InChI=1S/C16H17N5OS/c1-2-4-12(5-3-1)11-23-16-18-14-13(10-17-20-14)15(19-16)21-6-8-22-9-7-21/h1-5,10H,6-9,11H2,(H,17,18,19,20)"	C1COCCN1C2=NC(=NC3=C2C=NN3)SCC4=CC=CC=C4	STXDNEMQKPFFFE-UHFFFAOYSA-N
DG60069	"3-Anilino-8-chloro-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carbonitrile"	405673	"NSC723130; CHEMBL1967325; NSC-723130; 8-chloro-7-cyano-3-phenylamino-1,4-triazolo[4,3-b][1,4,2]b enzodithiazine 5,5-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723130	.	.	.	.	389.8	C15H8ClN5O2S2	134	657	3.4	25	1	7	2	"InChI=1S/C15H8ClN5O2S2/c16-11-7-12-13(6-9(11)8-17)25(22,23)21-14(19-20-15(21)24-12)18-10-4-2-1-3-5-10/h1-7H,(H,18,19)"	C1=CC=C(C=C1)NC2=NN=C3N2S(=O)(=O)C4=C(S3)C=C(C(=C4)C#N)Cl	YNBBKSNKYBJFFX-UHFFFAOYSA-N
DG60070	"8-Chloro-3-(3,5-dimethylanilino)-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carbonitrile"	405676	"NSC723133; CHEMBL1975198; NSC-723133; 8-chloro-7-cyano-3-(3,2,4-triazolo[ 4,3-b][1,4,2]benzodithiazine 5,5-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723133	.	.	.	.	417.9	C17H12ClN5O2S2	134	713	4.1	27	1	7	2	"InChI=1S/C17H12ClN5O2S2/c1-9-3-10(2)5-12(4-9)20-16-21-22-17-23(16)27(24,25)15-6-11(8-19)13(18)7-14(15)26-17/h3-7H,1-2H3,(H,20,21)"	CC1=CC(=CC(=C1)NC2=NN=C3N2S(=O)(=O)C4=C(S3)C=C(C(=C4)C#N)Cl)C	FSNBMYRSBZDERO-UHFFFAOYSA-N
DG60071	"8-chloro-N-(3,5-dimethylphenyl)-7-methyl-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3-amine"	405677	"NSC723134; CHEMBL1967649; NSC-723134; 8-chloro-3-(3,2,4-triazolo [4,3-b][1,4,2]benzodithiazine 5,5-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723134	.	.	.	.	406.9	C17H15ClN4O2S2	111	621	4.7	26	1	6	2	"InChI=1S/C17H15ClN4O2S2/c1-9-4-10(2)6-12(5-9)19-16-20-21-17-22(16)26(23,24)15-7-11(3)13(18)8-14(15)25-17/h4-8H,1-3H3,(H,19,20)"	CC1=CC(=CC(=C1)NC2=NN=C3N2S(=O)(=O)C4=C(S3)C=C(C(=C4)C)Cl)C	VDPQLKVMUYRYRK-UHFFFAOYSA-N
DG60072	"2,3-Dihydro-3-(2-hydroxyphenyl)-6-chloro-7-methyl-1,4,2-benzodithiazine 1,1-dioxide"	405695	"NSC723148; CHEMBL1987923; NSC-723148; 6-chloro-3-(2-hydroxyphenyl)-7-methyl-2,4,2-benz odithiazine 1,1-dioxide; 2,3-Dihydro-3-(2-hydroxyphenyl)-6-chloro-7-methyl-1,4,2-benzodithiazine 1,1-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723148	.	.	.	.	341.8	C14H12ClNO3S2	100	481	3.4	21	2	5	1	"InChI=1S/C14H12ClNO3S2/c1-8-6-13-12(7-10(8)15)20-14(16-21(13,18)19)9-4-2-3-5-11(9)17/h2-7,14,16-17H,1H3"	CC1=CC2=C(C=C1Cl)SC(NS2(=O)=O)C3=CC=CC=C3O	WTXOLHNCRJWRKM-UHFFFAOYSA-N
DG60073	"2-(3-Fluorophenyl)-4,6-dimethoxy-1,3,5-triazine"	405722	"2-(3'-fluorophenyl)-4,6-dimethoxy-1,3,5-triazine; 42010-79-7; 2-(3-fluorophenyl)-4,6-dimethoxy-1,3,5-triazine; NSC723250; CHEMBL189439; NSC-723250"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723250	.	.	.	.	235.21	C11H10FN3O2	57.1	233	3	17	0	6	3	"InChI=1S/C11H10FN3O2/c1-16-10-13-9(14-11(15-10)17-2)7-4-3-5-8(12)6-7/h3-6H,1-2H3"	COC1=NC(=NC(=N1)C2=CC(=CC=C2)F)OC	XITBTGCUXWCQIV-UHFFFAOYSA-N
DG60074	"1-(4-Fluorophenyl)-6-methoxy-1H,4-a]benzimidaz ole"	405742	"NSC723303; NSC-723303; 1-(4-Fluorophenyl)-6-methoxy-1H,4-a]benzimidaz ole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723303	.	.	.	.	300.4	C16H13FN2OS	52.4	377	3.5	21	0	4	2	"InChI=1S/C16H13FN2OS/c1-20-12-6-7-14-13(8-12)18-15-9-21-16(19(14)15)10-2-4-11(17)5-3-10/h2-8,16H,9H2,1H3"	COC1=CC2=C(C=C1)N3C(SCC3=N2)C4=CC=C(C=C4)F	WKJXKSHWSQESPW-UHFFFAOYSA-N
DG60075	4-(3-Carboxy-quinoxalin-2-yl)-oxyphenylacetyl acid	405748	NSC723322; CHEMBL1968400; NSC-723322; 4-(3-carboxy-quinoxalin-2-yl)-oxyphenylacetyl acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723322	.	.	.	.	324.29	C17H12N2O5	110	464	2.4	24	2	7	5	"InChI=1S/C17H12N2O5/c20-14(21)9-10-5-7-11(8-6-10)24-16-15(17(22)23)18-12-3-1-2-4-13(12)19-16/h1-8H,9H2,(H,20,21)(H,22,23)"	C1=CC=C2C(=C1)N=C(C(=N2)OC3=CC=C(C=C3)CC(=O)O)C(=O)O	ZIZCJUGHKARBLM-UHFFFAOYSA-N
DG60076	4-(3-Phenylquinoxalin-2-yl)-oxyphenylacetic acid	405750	NSC723324; CHEMBL1985880; NSC-723324; 4-(3-phenylquinoxalin-2-yl)-oxyphenylacetic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723324	.	.	.	.	356.4	C22H16N2O3	72.3	486	4.2	27	1	5	5	"InChI=1S/C22H16N2O3/c25-20(26)14-15-10-12-17(13-11-15)27-22-21(16-6-2-1-3-7-16)23-18-8-4-5-9-19(18)24-22/h1-13H,14H2,(H,25,26)"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2OC4=CC=C(C=C4)CC(=O)O	FWJUJPWPCHZQFF-UHFFFAOYSA-N
DG60077	"(9R,15R)-4,5-Dibromo-1H-pyrrole-2-carboxylic acid (6a-methoxy-2-oxo-hexahydro-furo[2,3-d]imidazol-5-ylmethyl)-amide"	405754	"CHEMBL1969742; NSC723330; NSC-723330; (9R,15R)-4,5-Dibromo-1H-pyrrole-2-carboxylic acid (6a-methoxy-2-oxo-hexahydro-furo[2,3-d]imidazol-5-ylmethyl)- amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723330	.	.	.	.	438.07	C12H14Br2N4O4	105	482	1	22	4	4	4	"InChI=1S/C12H14Br2N4O4/c1-21-12-3-5(22-10(12)17-11(20)18-12)4-15-9(19)7-2-6(13)8(14)16-7/h2,5,10,16H,3-4H2,1H3,(H,15,19)(H2,17,18,20)/t5-,10-,12-/m1/s1"	CO[C@]12C[C@@H](O[C@H]1NC(=O)N2)CNC(=O)C3=CC(=C(N3)Br)Br	BDWCNTZETWSRFF-DQMYXGJXSA-N
DG60078	"9H-Purin-2-amine, 6-chloro-9-[[3-(chloromethyl)phenyl]methyl]-"	405759	"669774-90-7; NSC723380; CHEMBL1979525; DTXSID30328082; 9H-Purin-2-amine, 6-chloro-9-[[3-(chloromethyl)phenyl]methyl]-; NSC-723380; 6-Chloro-9-(3-(chloromethyl)benzyl)-9H-purin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723380	.	.	.	.	308.16	C13H11Cl2N5	69.6	332	2.7	20	1	4	3	"InChI=1S/C13H11Cl2N5/c14-5-8-2-1-3-9(4-8)6-20-7-17-10-11(15)18-13(16)19-12(10)20/h1-4,7H,5-6H2,(H2,16,18,19)"	C1=CC(=CC(=C1)CCl)CN2C=NC3=C2N=C(N=C3Cl)N	CRJPPMBLJPQYAL-UHFFFAOYSA-N
DG60079	"9H-Purin-2-amine, 6-chloro-9-[[4-(chloromethyl)phenyl]methyl]-"	405761	"669774-95-2; NSC723382; CHEMBL1983985; DTXSID90328083; 9H-Purin-2-amine, 6-chloro-9-[[4-(chloromethyl)phenyl]methyl]-; NSC-723382; 6-Chloro-9-(4-(chloromethyl)benzyl)-9H-purin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723382	.	.	.	.	308.16	C13H11Cl2N5	69.6	324	2.7	20	1	4	3	"InChI=1S/C13H11Cl2N5/c14-5-8-1-3-9(4-2-8)6-20-7-17-10-11(15)18-13(16)19-12(10)20/h1-4,7H,5-6H2,(H2,16,18,19)"	C1=CC(=CC=C1CN2C=NC3=C2N=C(N=C3Cl)N)CCl	MRUQZDOMMZBNAW-UHFFFAOYSA-N
DG60080	"9-[[2-(Chloromethyl)phenyl]methyl]purine-2,6-diamine"	405763	NSC723384; CHEMBL1974977; NSC-723384	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723384	.	.	.	.	288.73	C13H13ClN6	95.6	330	1.7	20	2	5	3	"InChI=1S/C13H13ClN6/c14-5-8-3-1-2-4-9(8)6-20-7-17-10-11(15)18-13(16)19-12(10)20/h1-4,7H,5-6H2,(H4,15,16,18,19)"	C1=CC=C(C(=C1)CN2C=NC3=C(N=C(N=C32)N)N)CCl	KQODSXNWVOCPPB-UHFFFAOYSA-N
DG60081	"4-Chloro-6,7-dimethoxy-2-(2-thienyl)quinazoline"	405769	"NSC723412; SCHEMBL8070700; CHEMBL1976057; NSC-723412; 4-chloro-6,7-dimethoxy-2-(2-thienyl)quinazoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723412	.	.	.	.	306.8	C14H11ClN2O2S	72.5	336	3.8	20	0	5	3	"InChI=1S/C14H11ClN2O2S/c1-18-10-6-8-9(7-11(10)19-2)16-14(17-13(8)15)12-4-3-5-20-12/h3-7H,1-2H3"	COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)Cl)OC	APNDCSCXLJEJSH-UHFFFAOYSA-N
DG60082	"6,7-Bromo-4-[1-(2-trifluoromethyl)4-piprazinyl]-2-(2-thienyl)quinazoline"	405772	"NSC723415; CHEMBL1998195; NSC-723415; 6,7-bromo-4-[1-(2-trifluoromethyl)4-piprazinyl]-2-(2- thienyl)quinazoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723415	.	.	.	.	519.4	C23H18BrF3N4S	60.5	633	6.5	32	0	8	3	"InChI=1S/C23H18BrF3N4S/c24-15-7-8-18-16(14-15)22(29-21(28-18)20-6-3-13-32-20)31-11-9-30(10-12-31)19-5-2-1-4-17(19)23(25,26)27/h1-8,13-14H,9-12H2"	C1CN(CCN1C2=CC=CC=C2C(F)(F)F)C3=NC(=NC4=C3C=C(C=C4)Br)C5=CC=CS5	ONEJMEZCNNEXJX-UHFFFAOYSA-N
DG60083	"6,7-Dimethoxy-4-[1-(2-trifluoromethyl)4-piprazinyl]-2-(2-thienyl)quinazoline"	405773	"NSC723416; CHEMBL1967971; NSC-723416; 6,7-dimethoxy-4-[1-(2-trifluoromethyl)4-piprazinyl]-2-(2- thienyl)quinazoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723416	.	.	.	.	500.5	C25H23F3N4O2S	79	696	5.8	35	0	10	5	"InChI=1S/C25H23F3N4O2S/c1-33-20-14-16-18(15-21(20)34-2)29-23(22-8-5-13-35-22)30-24(16)32-11-9-31(10-12-32)19-7-4-3-6-17(19)25(26,27)28/h3-8,13-15H,9-12H2,1-2H3"	COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)N4CCN(CC4)C5=CC=CC=C5C(F)(F)F)OC	NAZWFSVKOAAXDA-UHFFFAOYSA-N
DG60084	6-Bromo-4-[(3-bromophenyl)amino]-2-(2-thienyl)quinazoline	405774	NSC723417; CHEMBL1999975; NSC-723417; 6-bromo-4-[(3-bromophenyl)amino]-2-(2-thienyl)quinazoline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723417	.	.	.	.	461.2	C18H11Br2N3S	66	427	6.2	24	1	4	3	"InChI=1S/C18H11Br2N3S/c19-11-3-1-4-13(9-11)21-17-14-10-12(20)6-7-15(14)22-18(23-17)16-5-2-8-24-16/h1-10H,(H,21,22,23)"	C1=CC(=CC(=C1)Br)NC2=NC(=NC3=C2C=C(C=C3)Br)C4=CC=CS4	PQPNQLSJQSOFEL-UHFFFAOYSA-N
DG60085	6-Dimethoxy-4-[(3-chlorophenyl)amino]-2-(2-thienyl) quinazoline	405775	NSC723418; CHEMBL2005646; NSC-723418; 6-dimethoxy-4-[(3-chlorophenyl)amino]-2-(2-thienyl) quinazoline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723418	.	.	.	.	397.9	C20H16ClN3O2S	84.5	488	5.4	27	1	6	5	"InChI=1S/C20H16ClN3O2S/c1-25-16-10-14-15(11-17(16)26-2)23-20(18-7-4-8-27-18)24-19(14)22-13-6-3-5-12(21)9-13/h3-11H,1-2H3,(H,22,23,24)"	COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)NC4=CC(=CC=C4)Cl)OC	CVTAVAFYPBIYGH-UHFFFAOYSA-N
DG60086	"6,7-Bromo-4-[(3-methoxyphenyl)amino]-2-(2-thienyl) quinazoline"	405780	"NSC723423; CHEMBL2000819; NSC-723423; 6,7-bromo-4-[(3-methoxyphenyl)amino]-2-(2-thienyl) quinazoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723423	.	.	.	.	412.3	C19H14BrN3OS	75.3	443	5.5	25	1	5	4	"InChI=1S/C19H14BrN3OS/c1-24-14-5-2-4-13(11-14)21-18-15-10-12(20)7-8-16(15)22-19(23-18)17-6-3-9-25-17/h2-11H,1H3,(H,21,22,23)"	COC1=CC=CC(=C1)NC2=NC(=NC3=C2C=C(C=C3)Br)C4=CC=CS4	VSMNUHNIUVRJIN-UHFFFAOYSA-N
DG60087	"2-(para-hydroxyphenyl)-1-[(6,4-dihydro-5H-1,3,4-benzotriazepine-5-one"	405784	"NSC723427; CHEMBL1968718; NSC-723427; 2-(para-hydroxyphenyl)-1-[(6,4-dihydro-5H-1,3,4-benzotriazepine-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723427	.	.	.	.	523.6	C28H21N5O4S	137	870	4.7	38	2	8	5	"InChI=1S/C28H21N5O4S/c1-36-22-14-19-20(15-23(22)37-2)29-25(24-8-5-13-38-24)30-27(19)33-21-7-4-3-6-18(21)28(35)32-31-26(33)16-9-11-17(34)12-10-16/h3-15,34H,1-2H3,(H,32,35)"	COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)N4C5=CC=CC=C5C(=O)NN=C4C6=CC=C(C=C6)O)OC	NPWWVXMIBUVTPP-UHFFFAOYSA-N
DG60088	"1-(6-bromo-2-thiophen-2-ylquinazolin-4-yl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-one"	405785	"NSC723428; CHEMBL2003914; NSC-723428; 2-(para-methoxyphenyl)-1-[(6-bromo-2-(2-thienyl)-4- quinazolinyl]-1,3,4-benzotriazepine-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723428	.	.	.	.	556.4	C27H18BrN5O2S	108	824	5.8	36	1	6	4	"InChI=1S/C27H18BrN5O2S/c1-35-18-11-8-16(9-12-18)25-31-32-27(34)19-5-2-3-6-22(19)33(25)26-20-15-17(28)10-13-21(20)29-24(30-26)23-7-4-14-36-23/h2-15H,1H3,(H,32,34)"	COC1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C3N2C4=NC(=NC5=C4C=C(C=C5)Br)C6=CC=CS6	FLDNGWRPAJEGIJ-UHFFFAOYSA-N
DG60089	"2-(para-methoxyphenyl)-1-[(6,4-dihydro-5H-1,3,4-benzotriazepine-5-one"	405786	"NSC723429; CHEMBL1968795; NSC-723429; 2-(para-methoxyphenyl)-1-[(6,4-dihydro-5H-1,3,4-benzotriazepine-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723429	.	.	.	.	537.6	C29H23N5O4S	126	886	5.1	39	1	8	6	"InChI=1S/C29H23N5O4S/c1-36-18-12-10-17(11-13-18)27-32-33-29(35)19-7-4-5-8-22(19)34(27)28-20-15-23(37-2)24(38-3)16-21(20)30-26(31-28)25-9-6-14-39-25/h4-16H,1-3H3,(H,33,35)"	COC1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C3N2C4=NC(=NC5=CC(=C(C=C54)OC)OC)C6=CC=CS6	KZLCUJAWTQUCAR-UHFFFAOYSA-N
DG60090	"1-(6-bromo-2-thiophen-2-ylquinazolin-4-yl)-2-(3,4,5-trimethoxyphenyl)-4H-1,3,4-benzotriazepin-5-one"	405787	"NSC723430; CHEMBL2003447; NSC-723430; 2-(3,5-trimethoxyphenyl)-1-[(6-bromo-2-(2-thienyl)-4- quinazolinyl]-1,4-dihydro-5H-1,3,4-benzotriazepine-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723430	.	.	.	.	616.5	C29H22BrN5O4S	126	917	5.8	40	1	8	6	"InChI=1S/C29H22BrN5O4S/c1-37-22-13-16(14-23(38-2)25(22)39-3)27-33-34-29(36)18-7-4-5-8-21(18)35(27)28-19-15-17(30)10-11-20(19)31-26(32-28)24-9-6-12-40-24/h4-15H,1-3H3,(H,34,36)"	COC1=CC(=CC(=C1OC)OC)C2=NNC(=O)C3=CC=CC=C3N2C4=NC(=NC5=C4C=C(C=C5)Br)C6=CC=CS6	ZIGICGKVIOHWGX-UHFFFAOYSA-N
DG60091	"1-(6,7-dimethoxy-2-thiophen-2-ylquinazolin-4-yl)-2-(3,4,5-trimethoxyphenyl)-4H-1,3,4-benzotriazepin-5-one"	405788	"NSC723431; CHEMBL1984074; NSC-723431; 2-(3,5-trimethoxyphenyl)-1-[(6,7-dimethoxy-2-(2-thienyl) -4-quinazolinyl]-1,4-dihydro-5H-1,3,4-benzotriazepine-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723431	.	.	.	.	597.6	C31H27N5O6S	145	978	5	43	1	10	8	"InChI=1S/C31H27N5O6S/c1-38-22-15-19-20(16-23(22)39-2)32-28(26-11-8-12-43-26)33-30(19)36-21-10-7-6-9-18(21)31(37)35-34-29(36)17-13-24(40-3)27(42-5)25(14-17)41-4/h6-16H,1-5H3,(H,35,37)"	COC1=CC(=CC(=C1OC)OC)C2=NNC(=O)C3=CC=CC=C3N2C4=NC(=NC5=CC(=C(C=C54)OC)OC)C6=CC=CS6	GHWVEADPFDYXSK-UHFFFAOYSA-N
DG60092	"2-(2-Aminothiazol)methylene-5-(p-chlorophenoxy)methylenetria zolo[3,4-b]thiadiazole"	405796	"NSC723448; CHEMBL1991408; NSC-723448; 2-(2-Aminothiazol)methylene-5-(p-chlorophenoxy)methylenetria zolo[3,4-b]thiadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723448	.	.	.	.	378.9	C14H11ClN6OS2	148	430	3.1	24	1	8	5	"InChI=1S/C14H11ClN6OS2/c15-8-1-3-9(4-2-8)22-7-11-18-19-14-21(11)20-12(24-14)5-10-6-17-13(16)23-10/h1-4,6H,5,7H2,(H2,16,17)"	C1=CC(=CC=C1OCC2=NN=C3N2N=C(S3)CC4=CN=C(S4)N)Cl	VZEXKJJNZAYAHF-UHFFFAOYSA-N
DG60093	"Benzothein[2,6,7,8-tetrahy dro"	405800	"NSC723452; SCHEMBL6015573; CHEMBL1990815; SCHEMBL12310610; Benzothein[2,6,7,8-tetrahy dro; ZINC5847261; MFCD11896621; AKOS016397920; MCULE-6065787238; NSC-723452; 3-amino-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-5-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723452	.	.	.	.	221.28	C10H11N3OS	92.8	448	0.6	15	2	3	0	"InChI=1S/C10H11N3OS/c11-8-7-5-3-1-2-4-6(5)15-9(7)13-10(14)12-8/h1-4H2,(H3,11,12,13,14)"	C1CCC2=C(C1)C3=C(NC(=O)N=C3S2)N	VNCNQDPRMVZSCZ-UHFFFAOYSA-N
DG60094	"3,4,4-Trichloro-1-(2,3-dichlorophenyl)but-3-en-1-one"	405826	NSC723513; NSC-723513	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723513	.	.	.	.	318.4	C10H5Cl5O	17.1	298	5.1	16	0	1	3	"InChI=1S/C10H5Cl5O/c11-6-3-1-2-5(9(6)13)8(16)4-7(12)10(14)15/h1-3H,4H2"	C1=CC(=C(C(=C1)Cl)Cl)C(=O)CC(=C(Cl)Cl)Cl	GRIJZFPENZNIAJ-UHFFFAOYSA-N
DG60095	"2,2,3,3,3-Pentachloropropyl phenyl ketone"	405828	"NSC723515; CHEMBL1979535; NSC-723515; 3,4,4,4-pentachloro-1-phenylbutan-1-one; 2,2,3,3,3-pentachloropropyl phenyl ketone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723515	.	.	.	.	320.4	C10H7Cl5O	17.1	252	4.6	16	0	1	3	"InChI=1S/C10H7Cl5O/c11-9(12,10(13,14)15)6-8(16)7-4-2-1-3-5-7/h1-5H,6H2"	C1=CC=C(C=C1)C(=O)CC(C(Cl)(Cl)Cl)(Cl)Cl	FJBSUHGAHUQDTQ-UHFFFAOYSA-N
DG60096	"1,1-dichloro-4,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)but-3-en-2-one"	405832	"NSC723518; CHEMBL1978111; ZINC107109; STK681225; AKOS005596550; MCULE-8335216766; NSC-723518; 4,5-dimethylpyrazole)-1,1-dichloro-but-3-ene-2-one; 1,1-dichloro-4,4-bis-(3,5-dimethyl-1-pyrazolyl)-3-buten-2-one; 1,1-dichloro-4,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)but-3-en-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723518	.	.	.	.	327.2	C14H16Cl2N4O	52.7	403	3.3	21	0	3	4	"InChI=1S/C14H16Cl2N4O/c1-8-5-10(3)19(17-8)13(7-12(21)14(15)16)20-11(4)6-9(2)18-20/h5-7,14H,1-4H3"	CC1=CC(=NN1C(=CC(=O)C(Cl)Cl)N2C(=CC(=N2)C)C)C	NLZOIUKAARPRPV-UHFFFAOYSA-N
DG60097	"N-phenyl-3,4-trichlorobut-3-enamide"	405834	"NSC723520; N-phenyl-3,4-trichlorobut-3-enamide; NSC-723520"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723520	.	.	.	.	264.5	C10H8Cl3NO	29.1	255	3.4	15	1	1	3	"InChI=1S/C10H8Cl3NO/c11-8(10(12)13)6-9(15)14-7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)"	C1=CC=C(C=C1)NC(=O)CC(=C(Cl)Cl)Cl	KWLWWHKGDSOEHJ-UHFFFAOYSA-N
DG60098	"5-[(4-Chlorophenyl)diazenyl]-10-thia-3,6,8-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraen-4-one"	405901	"NSC723582; NSC-723582; 3-(p-Chlorophenyl)diazo-2-oxoimidazolo[2,5-b] benzothieno-8,9,10,11-tetrahydro"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723582	.	.	.	.	383.9	C18H14ClN5OS	98	675	4.5	26	0	5	2	"InChI=1S/C18H14ClN5OS/c19-10-5-7-11(8-6-10)22-23-16-17(25)21-15-14-12-3-1-2-4-13(12)26-18(14)20-9-24(15)16/h5-9,16H,1-4H2"	C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=O)C4N=NC5=CC=C(C=C5)Cl	QZZUUFBUPSOBCX-UHFFFAOYSA-N
DG60099	"1-Chloro-5-methyl-indenopyrrol[2,3-d]pyridazine"	405931	"NSC723675; NSC-723675; 1-Chloro-5-methyl-indenopyrrol[2,3-d]pyridazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723675	.	.	.	.	255.7	C14H10ClN3	30.7	337	2.5	18	0	2	0	"InChI=1S/C14H10ClN3/c1-18-11-7-16-17-14(15)12(11)10-6-8-4-2-3-5-9(8)13(10)18/h2-5,7H,6H2,1H3"	CN1C2=CN=NC(=C2C3=C1C4=CC=CC=C4C3)Cl	PSLSGYWESPNLET-UHFFFAOYSA-N
DG60100	NSC723732	405944	"(6aS)-3-[4-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]oxybutoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one; NSC723732; SCHEMBL6802211; CHEMBL2003191; NSC-723732; 8-{4-[6-(4-flurophenyl)-2-methyl-4-pyrimidinyloxy]butoxy}-7- methoxy-(11aS)-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a ][1,4]diazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723732	.	.	.	.	504.6	C28H29FN4O4	86.1	779	4.2	37	0	8	9	"InChI=1S/C28H29FN4O4/c1-18-31-23(19-7-9-20(29)10-8-19)16-27(32-18)37-13-4-3-12-36-26-15-24-22(14-25(26)35-2)28(34)33-11-5-6-21(33)17-30-24/h7-10,14-17,21H,3-6,11-13H2,1-2H3/t21-/m0/s1"	CC1=NC(=CC(=N1)OCCCCOC2=C(C=C3C(=C2)N=C[C@@H]4CCCN4C3=O)OC)C5=CC=C(C=C5)F	QNDFMXVSROYBJF-NRFANRHFSA-N
DG60101	NSC723733	405945	"(6aS)-3-[2-[4-[2-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one; NSC723733; CHEMBL1977739; NSC-723733; 7-methoxy-8-[2-(4-{2-[7-methoxy-5-oxo-(11aS)-2,5,11a-tetra hydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yloxyl]ethyl} hexahydro-1-pyrazinyl)ethoxy]-(11aS)-2,3,5,11a-tetrahydro-1H -benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723733	.	.	.	.	630.7	C34H42N6O6	109	1050	1.8	46	0	10	10	"InChI=1S/C34H42N6O6/c1-43-29-17-25-27(35-21-23-5-3-7-39(23)33(25)41)19-31(29)45-15-13-37-9-11-38(12-10-37)14-16-46-32-20-28-26(18-30(32)44-2)34(42)40-8-4-6-24(40)22-36-28/h17-24H,3-16H2,1-2H3/t23-,24-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OCCN4CCN(CC4)CCOC5=C(C=C6C(=C5)N=C[C@@H]7CCCN7C6=O)OC	QHWCTOMQZWBPJU-ZEQRLZLVSA-N
DG60102	NSC723734	405946	"(6aS)-3-[4-[4-[4-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butyl]piperazin-1-yl]butoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one; NSC723734; CHEMBL1988086; NSC-723734; 7-methoxy-8-[4-(4-{4-[7-methoxy-5-oxo-(11aS)-2,5,11a-tetra hydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yloxy]butyl}h exahydro-1-pyrazinyl)butoxy]-(11aS)-2,3,5,11a-tetrahydro-1H- benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723734	.	.	.	.	686.8	C38H50N6O6	109	1110	3.2	50	0	10	14	"InChI=1S/C38H50N6O6/c1-47-33-21-29-31(39-25-27-9-7-13-43(27)37(29)45)23-35(33)49-19-5-3-11-41-15-17-42(18-16-41)12-4-6-20-50-36-24-32-30(22-34(36)48-2)38(46)44-14-8-10-28(44)26-40-32/h21-28H,3-20H2,1-2H3/t27-,28-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OCCCCN4CCN(CC4)CCCCOC5=C(C=C6C(=C5)N=C[C@@H]7CCCN7C6=O)OC	JBBSKQLFCJZMSB-NSOVKSMOSA-N
DG60103	"Diethyl N-[-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)aminomethyl]benzoy l]-L-gluatamate"	405951	"NSC723740; CHEMBL1991287; NSC-723740; Diethyl N-[-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)aminomethyl]benzoy l]-L-gluatamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723740	.	.	.	.	570.6	C31H34N6O5	172	878	3.5	42	4	10	14	"InChI=1S/C31H34N6O5/c1-3-41-26(38)15-14-24(31(40)42-4-2)36-30(39)21-12-10-19(11-13-21)18-34-29-27(20-8-6-5-7-9-20)37-28-23(33)16-22(32)17-25(28)35-29/h5-13,16-17,24H,3-4,14-15,18,32-33H2,1-2H3,(H,34,35)(H,36,39)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CNC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N	WIWJWAREKQVOIS-UHFFFAOYSA-N
DG60104	"Diethyl N-[4-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)hydroxy]benzoyl]-L-glutamate"	405952	"NSC723741; NSC-723741; Diethyl N-[4-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)hydroxy]benzoyl]- L-glutamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723741	.	.	.	.	557.6	C30H31N5O6	169	862	3.5	41	3	10	13	"InChI=1S/C30H31N5O6/c1-3-39-25(36)15-14-23(30(38)40-4-2)33-28(37)19-10-12-21(13-11-19)41-29-26(18-8-6-5-7-9-18)35-27-22(32)16-20(31)17-24(27)34-29/h5-13,16-17,23H,3-4,14-15,31-32H2,1-2H3,(H,33,37)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N	AZQUBUNEBSSGGC-UHFFFAOYSA-N
DG60105	"Diethyl N[4-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)amino]benzoyl]-L-g lutamate"	405953	"CHEMBL463667; NSC723742; BDBM50251165; NSC-723742; Diethyl N[4-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)amino]benzoyl]-L-g lutamate; N-[4-[(5,7-Diamino-3-phenyl-quinoxalin-2-yl)amino]-benzoyl]glutamic acid diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723742	.	.	.	.	556.6	C30H32N6O5	172	862	3.5	41	4	10	13	"InChI=1S/C30H32N6O5/c1-3-40-25(37)15-14-23(30(39)41-4-2)35-29(38)19-10-12-21(13-11-19)33-28-26(18-8-6-5-7-9-18)36-27-22(32)16-20(31)17-24(27)34-28/h5-13,16-17,23H,3-4,14-15,31-32H2,1-2H3,(H,33,34)(H,35,38)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N	VMTODJCTVNGYMG-UHFFFAOYSA-N
DG60106	"2,8,9,10a-Tetraaza-4a-azonia-anthracene"	405972	"NSC723827; CHEMBL1997903; NSC-723827; 2,8,9,10a-tetraaza-4a-azonia-anthracene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723827	.	.	.	.	341.15	C11H12IN5	44.7	352	.	17	0	3	0	"InChI=1S/C11H12N5.HI/c1-8-3-5-15-7-16-6-4-9(2)13-11(16)14-10(15)12-8;/h3-6H,7H2,1-2H3;1H/q+1;/p-1"	CC1=NC2=NC3=[N+](CN2C=C1)C=CC(=N3)C.[I-]	MFNSBVOPHJBTJB-UHFFFAOYSA-M
DG60107	NSC723828	405974	"7,17-Difluoro-10,14-dithia-3,12-diaza-1-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),4(9),5,7,11,15(20),16,18-octaene;iodide; NSC723828; CHEMBL2005732; NSC-723828"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723828	.	.	.	.	459.3	C15H8F2IN3S2	73	463	.	23	0	6	0	"InChI=1S/C15H8F2N3S2.HI/c16-8-1-3-10-12(5-8)21-14-18-15-20(7-19(10)14)11-4-2-9(17)6-13(11)22-15;/h1-6H,7H2;1H/q+1;/p-1"	C1N2C3=C(C=C(C=C3)F)SC2=NC4=[N+]1C5=C(S4)C=C(C=C5)F.[I-]	HHTXITIKGUSMPZ-UHFFFAOYSA-M
DG60108	NSC723829	405976	"7,17-Dimethyl-10,14-dithia-3,12-diaza-1-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),4(9),5,7,11,15(20),16,18-octaene;iodide; NSC723829; CHEMBL1976629; NSC-723829"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723829	.	.	.	.	451.4	C17H14IN3S2	73	454	.	23	0	4	0	"InChI=1S/C17H14N3S2.HI/c1-10-3-5-12-14(7-10)21-16-18-17-20(9-19(12)16)13-6-4-11(2)8-15(13)22-17;/h3-8H,9H2,1-2H3;1H/q+1;/p-1"	CC1=CC2=C(C=C1)N3C[N+]4=C(N=C3S2)SC5=C4C=CC(=C5)C.[I-]	LVWFFGWGFUQATF-UHFFFAOYSA-M
DG60109	"Ethyl 3-benzyl-2-methyl-4,5-dioxobenzo[e]indole-1-carboxylate"	406008	"MLS002702495; SMR001566056; NSC723888; cid_406008; CHEMBL1733422; BDBM114202; ethyl 3-benzyl-2-methyl-4,5-dioxobenzo[e]indole-1-carboxylate; NSC-723888; SR-01000880260; SR-01000880260-2; 3-benzyl-4,5-diketo-2-methyl-benz[e]indole-1-carboxylic acid ethyl ester; 2-methyl-4,5-dioxo-3-(phenylmethyl)-1-benzo[e]indolecarboxylic acid ethyl ester; 3-benzyl-2-methyl-4,5-dihydro-3H-benzo[e]indole-1-carboxylic acid, ethyl ester; ethyl 2-methyl-4,5-bis(oxidanylidene)-3-(phenylmethyl)benzo[e]indole-1-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723888	.	.	.	.	373.4	C23H19NO4	65.4	626	3.9	28	0	4	5	"InChI=1S/C23H19NO4/c1-3-28-23(27)18-14(2)24(13-15-9-5-4-6-10-15)20-19(18)16-11-7-8-12-17(16)21(25)22(20)26/h4-12H,3,13H2,1-2H3"	CCOC(=O)C1=C(N(C2=C1C3=CC=CC=C3C(=O)C2=O)CC4=CC=CC=C4)C	FPJGLEYOEDMWDB-UHFFFAOYSA-N
DG60110	"Ethyl 3-(4-methoxyphenyl)-2-methyl-4,5-dioxobenzo[e]indole-1-carboxylate"	406009	MLS002702496; NSC723889; CHEMBL1705201; NSC-723889; SMR001566057	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723889	.	.	.	.	389.4	C23H19NO5	74.6	656	3.9	29	0	5	5	"InChI=1S/C23H19NO5/c1-4-29-23(27)18-13(2)24(14-9-11-15(28-3)12-10-14)20-19(18)16-7-5-6-8-17(16)21(25)22(20)26/h5-12H,4H2,1-3H3"	CCOC(=O)C1=C(N(C2=C1C3=CC=CC=C3C(=O)C2=O)C4=CC=C(C=C4)OC)C	KOVAXUSVFZXVKF-UHFFFAOYSA-N
DG60111	NSC723890	406010	"Ethyl 2,9-dihydroxy-11-methyl-10-(4-methylphenyl)-14,17-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),2,4,6,8,11,15-heptaene-12-carboxylate; NSC723890; CHEMBL2004664; NSC-723890"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723890	.	.	.	.	457.5	C27H23NO6	106	803	5.5	34	2	6	4	"InChI=1S/C27H23NO6/c1-4-34-27(33)22-16(3)28(17-11-9-15(2)10-12-17)26(32)19-8-6-5-7-18(19)25(31)24-21(30)14-13-20(29)23(22)24/h5-14,31-32H,4H2,1-3H3"	CCOC(=O)C1=C(N(C(=C2C=CC=CC2=C(C3=C1C(=O)C=CC3=O)O)O)C4=CC=C(C=C4)C)C	GIDQKYQHSDVNRD-UHFFFAOYSA-N
DG60112	"5-Benzyl-5,7,8-tetrahydro-indeno[1,2-b]indole-9,10-dione"	406017	"CHEMBL1957191; NSC723897; SCHEMBL261139; BDBM50029690; NSC-723897; 5-Benzyl-5,7,8-tetrahydro-indeno[1,2-b]indole-9,10-dione; 2,3-[(6-Oxo-1-cyclohexene-1,2-diyl)(benzylimino)]-1H-indene-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723897	.	.	.	.	327.4	C22H17NO2	39.1	552	3.6	25	0	2	2	"InChI=1S/C22H17NO2/c24-18-12-6-11-17-19(18)20-21(15-9-4-5-10-16(15)22(20)25)23(17)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2"	C1CC2=C(C(=O)C1)C3=C(N2CC4=CC=CC=C4)C5=CC=CC=C5C3=O	GCBBQAMPVJFUPC-UHFFFAOYSA-N
DG60113	"1,7-Difluor-2-phenylcarbonyl-3-trifluormethyl quinoxaline"	406024	"NSC723906; CHEMBL1774812; NSC-723906; 1,7-difluor-2-phenylcarbonyl-3-trifluormethyl quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723906	.	.	.	.	370.23	C16H7F5N2O3	63.4	630	2.7	26	0	9	2	"InChI=1S/C16H7F5N2O3/c17-9-6-11-12(7-10(9)18)23(26)15(16(19,20)21)13(22(11)25)14(24)8-4-2-1-3-5-8/h1-7H"	C1=CC=C(C=C1)C(=O)C2=C(N(C3=CC(=C(C=C3[N+]2=O)F)F)[O-])C(F)(F)F	HSJQAFINUTWIMP-UHFFFAOYSA-N
DG60114	"1,N-phenylmethyl)methylamino] quinoxaline."	406026	"NSC723908; NSC-723908; 1,N-phenylmethyl)methylamino] quinoxaline."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723908	.	.	.	.	323.3	C18H17N3O3	66.7	540	1.5	24	0	5	4	"InChI=1S/C18H17N3O3/c1-13(22)18-17(12-19(2)14-8-4-3-5-9-14)20(23)15-10-6-7-11-16(15)21(18)24/h3-11H,12H2,1-2H3"	CC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CN(C)C3=CC=CC=C3	GMMQWUHATYEDPT-UHFFFAOYSA-N
DG60115	"1,4-di-N-oxide-2-etoxycarbonyl-3-trifluormethylquinoxaline."	406027	"NSC723909; NSC-723909; 1,4-di-N-oxide-2-etoxycarbonyl-3-trifluormethylquinoxaline."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723909	.	.	.	.	286.21	C12H9F3N2O3	63.4	473	1.3	20	0	7	2	"InChI=1S/C12H9F3N2O3/c1-2-9(18)10-11(12(13,14)15)17(20)8-6-4-3-5-7(8)16(10)19/h3-6H,2H2,1H3"	CCC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])C(F)(F)F	LHHMKRZKHLQBPP-UHFFFAOYSA-N
DG60116	Methyl 5-chloropyrazine-2-carboxylate	406081	"Methyl 5-chloropyrazine-2-carboxylate; 33332-25-1; Methyl 5-chloro-2-pyrazinecarboxylate; Methyl-5-chloropyrazine-2-carboxylate; 2-chloro-5-carbomethoxy-pyrazine; 5-Chloro-pyrazine-2-carboxylic acid methyl ester; Methyl-5-chloro-2-pyrazinecarboxylate; Pyrazinecarboxylic acid, 5-chloro-, methyl ester; MFCD01632102; 5-CHLORO-2-METHOXYCARBONYL PYRAZINE; NSC723999; 2-PYRAZINECARBOXYLIC ACID, 5-CHLORO-, METHYL ESTER; methyl 5-chloropyrazinoate; SCHEMBL64740; AMPZ0013; CHEMBL327028; DTXSID90328104; ACN-S004370; ACT01750; CS-B0937; ZINC2382585; BBL103127; methyl 5-chloropyrazin-2-carboxylate; QC-481; STL556937; methyl 2-chloro-5-pyrazinecarboxylate; AKOS005255697; AC-8939; methyl 5-chloro-2-pyrazine carboxylate; NSC-723999; PB33958; PS-5542; SB10536; Q796; SY018612; DB-031079; A5945; AM20070416; C2797; FT-0648272; 5-chloropyrazine-2-carboxylic acid methyl ester; 332M251; A854048; J-522000; W-202362; Q63392444; 5-CHLORO-2-PYRAZINECARBOXYLIC ACID METHYL ESTER; F8881-2665; Methyl 5-chloro-2-pyrazinecarboxylate, >=98.0% (HPLC); 5-Chloro-pyrazine-2-carboxylic acid methyl ester;Methyl 5-chloropyrazine-2-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723999	.	.	.	.	172.57	C6H5ClN2O2	52.1	154	0.5	11	0	4	2	"InChI=1S/C6H5ClN2O2/c1-11-6(10)4-2-9-5(7)3-8-4/h2-3H,1H3"	COC(=O)C1=CN=C(C=N1)Cl	CVVMLRFXZPKILB-UHFFFAOYSA-N
DG60117	tert-Butyl 5-chloropyrazine-2-carboxylate	406083	"tert-Butyl 5-chloropyrazine-2-carboxylate; 169335-50-6; 2-Pyrazinecarboxylicacid, 5-chloro-, 1,1-dimethylethyl ester; 5-Chloro-pyrazine-2-carboxylic acid tert-butyl ester; NSC724001; CHEMBL333846; SCHEMBL2646157; DTXSID10328106; Pyrazinecarboxylic acid, 5-chloro-, 1,1-dimethylethyl ester; ZINC5950500; AKOS026743440; NSC-724001; tert butyl 5-chloropyrazine-2-carboxylate; tert-butyl 5-chloropyrazine 2-carboxylate; DB-110499; CS-0101962; D76267; 5-Chloro-2-pyrazinecarboxylic acid tert-butyl ester; 2-Pyrazinecarboxylic acid, 5-chloro-, 1,1-dimethylethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724001	.	.	.	.	214.65	C9H11ClN2O2	52.1	215	1.5	14	0	4	3	"InChI=1S/C9H11ClN2O2/c1-9(2,3)14-8(13)6-4-12-7(10)5-11-6/h4-5H,1-3H3"	CC(C)(C)OC(=O)C1=CN=C(C=N1)Cl	HVVYCXYNSSYJOR-UHFFFAOYSA-N
DG60118	5-Chloro-pyrazine-2-carboxylic acid hexylamide	406084	NSC724002; CHEMBL1975064; NSC-724002; 5-Chloro-pyrazine-2-carboxylic acid hexylamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724002	.	.	.	.	241.72	C11H16ClN3O	54.9	213	2.7	16	1	3	6	"InChI=1S/C11H16ClN3O/c1-2-3-4-5-6-13-11(16)9-7-15-10(12)8-14-9/h7-8H,2-6H2,1H3,(H,13,16)"	CCCCCCNC(=O)C1=CN=C(C=N1)Cl	NLMDXWYTMRLMOX-UHFFFAOYSA-N
DG60119	N-benzyl-5-chloropyrazine-2-carboxamide	406085	N-benzyl-5-chloropyrazine-2-carboxamide; 958799-53-6; NSC724003; CHEMBL1992018; ZINC6580004; NSC-724003; N-benzyl-5-chloro-pyrazine-2-carboxamide; 5-Chloro-pyrazine-2-carboxylic acid benzylamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724003	.	.	.	.	247.68	C12H10ClN3O	54.9	256	1.8	17	1	3	3	"InChI=1S/C12H10ClN3O/c13-11-8-14-10(7-15-11)12(17)16-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,16,17)"	C1=CC=C(C=C1)CNC(=O)C2=CN=C(C=N2)Cl	ACZUOVLQJHTYDK-UHFFFAOYSA-N
DG60120	NSC724005	406087	"(6aS)-3-[3-[[(6aS)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one; NSC724005; SCHEMBL3895642; CHEMBL1987605; NSC-724005; 7-methoxy-8-{3-[7-methoxy (11aS)-1,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzo diazepin-5-one-8-yloxy]propoxy}-(11aS)-1,2,3,11a-tetrahydro- 5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one; 7-Methoxy-8-{3-[7-methoxy-(11aS)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one-8-yloxy]propoxy}-(11aS)-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one; 7-Methoxy-8-{3-[7-methoxy-(11aS)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one-8-yloxy]propoxy}-(11aS)-1,2,3,11a-tetrahydro5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724005	.	.	.	.	534.6	C29H34N4O6	102	918	2.9	39	1	8	8	"InChI=1S/C29H34N4O6/c1-36-24-12-20-22(30-16-18-6-3-8-32(18)28(20)34)14-26(24)38-10-5-11-39-27-15-23-21(13-25(27)37-2)29(35)33-9-4-7-19(33)17-31-23/h12-16,18-19,31H,3-11,17H2,1-2H3/t18-,19-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3CN2)OCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC	BAPOMQVULWAKDQ-OALUTQOASA-N
DG60121	NSC724006	406088	"(6aS)-3-[5-[[(6aS)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one; NSC724006; SCHEMBL6491000; CHEMBL1970684; NSC-724006; 7-methoxy-8-{5-[7-methoxy-(11aS)-1,3,10,11,11a-hexahydro-5 H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one-8yloxy]pentyloxy}- (11aS)-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiaze pine-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724006	.	.	.	.	562.7	C31H38N4O6	102	950	3.6	41	1	8	10	"InChI=1S/C31H38N4O6/c1-38-26-14-22-24(32-18-20-8-6-10-34(20)30(22)36)16-28(26)40-12-4-3-5-13-41-29-17-25-23(15-27(29)39-2)31(37)35-11-7-9-21(35)19-33-25/h14-18,20-21,33H,3-13,19H2,1-2H3/t20-,21-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3CN2)OCCCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC	RWZMDZPJEOYCMB-SFTDATJTSA-N
DG60122	NSC724010	406092	"(6aS)-3-[4-(4-chloro-6-methoxy-2-methylquinazolin-7-yl)oxybutoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one; NSC724010; CHEMBL2007428; NSC-724010; 8-[4-(4-chloro-6-methyl-7-quinazolinyloxy)butoxy]7-methoxy-( 11aS)-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]dia zepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724010	.	.	.	.	525	C27H29ClN4O5	95.4	805	4.4	37	0	8	9	"InChI=1S/C27H29ClN4O5/c1-16-30-21-14-25(22(34-2)11-18(21)26(28)31-16)37-10-5-4-9-36-24-13-20-19(12-23(24)35-3)27(33)32-8-6-7-17(32)15-29-20/h11-15,17H,4-10H2,1-3H3/t17-/m0/s1"	CC1=NC2=CC(=C(C=C2C(=N1)Cl)OC)OCCCCOC3=C(C=C4C(=C3)N=C[C@@H]5CCCN5C4=O)OC	KCOCPXADFPOADF-KRWDZBQOSA-N
DG60123	"1-(4-Chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazol-4-ol"	406094	"NSC724037; CHEMBL1987028; 1-(4-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazol-4-ol; 1H-Pyrazol-4-ol, 1-(4-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-; NSC-724037"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724037	.	.	.	.	338.7	C17H11ClN4O2	77	415	3.4	24	1	5	3	"InChI=1S/C17H11ClN4O2/c18-12-6-8-13(9-7-12)22-10-14(23)15(21-22)17-20-19-16(24-17)11-4-2-1-3-5-11/h1-10,23H"	C1=CC=C(C=C1)C2=NN=C(O2)C3=NN(C=C3O)C4=CC=C(C=C4)Cl	PFEPZIMNLUUCBV-UHFFFAOYSA-N
DG60124	"6-Ethylthio-1-hydroxymethyl-4-(1-methylbenzyl)aminopyrazolo[3,4-d]pyrimidine"	406130	"NSC724129; NSC-724129; 6-Ethylthio-1-hydroxymethyl-4-(1-methylbenzyl)aminopyrazolo[ 3,4-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724129	.	.	.	.	329.4	C16H19N5OS	101	368	3	23	2	6	6	"InChI=1S/C16H19N5OS/c1-3-23-16-19-14(13-9-17-21(10-22)15(13)20-16)18-11(2)12-7-5-4-6-8-12/h4-9,11,22H,3,10H2,1-2H3,(H,18,19,20)"	CCSC1=NC(=C2C=NN(C2=N1)CO)NC(C)C3=CC=CC=C3	OTORGZMUGNAEOC-UHFFFAOYSA-N
DG60125	"3-Phenyl-4,6-dihydro-[1,2,4]triazino[3,4-a]phthalazin-7-one"	406138	NSC724137; NSC-724137	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724137	.	.	.	.	276.29	C16H12N4O	57.1	493	2.2	21	1	3	1	"InChI=1S/C16H12N4O/c21-16-13-9-5-4-8-12(13)15-18-17-14(10-20(15)19-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,21)"	C1C(=NN=C2N1NC(=O)C3=CC=CC=C32)C4=CC=CC=C4	RDFSDFSADMCVKD-UHFFFAOYSA-N
DG60126	"2-[(2-Thiazolyl)amino]ethyl-3,6-trichlorohydroquinone"	406195	"NSC724208; CHEMBL1986034; NSC-724208; 2-[(2-thiazolyl)amino]ethyl-3,6-trichlorohydroquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724208	.	.	.	.	339.6	C11H9Cl3N2O2S	93.6	303	4.4	19	3	5	4	"InChI=1S/C11H9Cl3N2O2S/c12-6-5(1-2-15-11-16-3-4-19-11)9(17)7(13)8(14)10(6)18/h3-4,17-18H,1-2H2,(H,15,16)"	C1=CSC(=N1)NCCC2=C(C(=C(C(=C2Cl)O)Cl)Cl)O	GRAQIRKMUUFLSU-UHFFFAOYSA-N
DG60127	"2-[2-(2-Thiazolylamino)ethyl]-3,6-trichloro-1,4-benzoquino ne"	406196	"NSC724209; CHEMBL1984382; NSC-724209; 2-[2-(2-thiazolylamino)ethyl]-3,6-trichloro-1,4-benzoquino ne"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724209	.	.	.	.	337.6	C11H7Cl3N2O2S	87.3	490	3.9	19	1	5	4	"InChI=1S/C11H7Cl3N2O2S/c12-6-5(1-2-15-11-16-3-4-19-11)9(17)7(13)8(14)10(6)18/h3-4H,1-2H2,(H,15,16)"	C1=CSC(=N1)NCCC2=C(C(=O)C(=C(C2=O)Cl)Cl)Cl	FRTLDDVGRABWTO-UHFFFAOYSA-N
DG60128	"2-[2-(6-Quinolinylamino)ethyl]-3,6-trichlorohydroq1uinone"	406197	"NSC724210; CHEMBL1987124; NSC-724210; 2-[2-(6-quinolinylamino)ethyl]-3,6-trichlorohydroq1uinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724210	.	.	.	.	383.7	C17H13Cl3N2O2	65.4	417	5.3	24	3	4	4	"InChI=1S/C17H13Cl3N2O2/c18-13-11(16(23)14(19)15(20)17(13)24)5-7-21-10-3-4-12-9(8-10)2-1-6-22-12/h1-4,6,8,21,23-24H,5,7H2"	C1=CC2=C(C=CC(=C2)NCCC3=C(C(=C(C(=C3Cl)O)Cl)Cl)O)N=C1	OZTKLPASWCWPSH-UHFFFAOYSA-N
DG60129	"2,5-Dihydroxy-3,4,6-trichlorophenyl)-thiazole]"	406199	"NSC724212; CHEMBL1983217; NSC-724212; 2,5-dihydroxy-3,4,6-trichlorophenyl)-thiazole]; 2,2'-bi[5-(2,5-dihydroxy-3,4,6-trichlorophenyl)thiazole]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724212	.	.	.	.	591.1	C18H6Cl6N2O4S2	163	625	7.4	32	4	8	3	"InChI=1S/C18H6Cl6N2O4S2/c19-7-5(13(27)9(21)11(23)15(7)29)3-1-25-17(31-3)18-26-2-4(32-18)6-8(20)16(30)12(24)10(22)14(6)28/h1-2,27-30H"	C1=C(SC(=N1)C2=NC=C(S2)C3=C(C(=C(C(=C3Cl)O)Cl)Cl)O)C4=C(C(=C(C(=C4Cl)O)Cl)Cl)O	ZQCFBQTZZBNDAX-UHFFFAOYSA-N
DG60130	"1-[[2-(Chloromethyl)phenyl]methyl]-5-methylpyrimidine-2,4-dione"	406205	NSC724235; CHEMBL2007591; NSC-724235	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724235	.	.	.	.	264.71	C13H13ClN2O2	49.4	381	1.5	18	1	2	3	"InChI=1S/C13H13ClN2O2/c1-9-7-16(13(18)15-12(9)17)8-11-5-3-2-4-10(11)6-14/h2-5,7H,6,8H2,1H3,(H,15,17,18)"	CC1=CN(C(=O)NC1=O)CC2=CC=CC=C2CCl	LROKUAILKNNSOC-UHFFFAOYSA-N
DG60131	"1-[[2-(Chloromethyl)phenyl]methyl]pyrimidine-2,4-dione"	406207	NSC724237; CHEMBL1980265; NSC-724237	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724237	.	.	.	.	250.68	C12H11ClN2O2	49.4	343	1.1	17	1	2	3	"InChI=1S/C12H11ClN2O2/c13-7-9-3-1-2-4-10(9)8-15-6-5-11(16)14-12(15)17/h1-6H,7-8H2,(H,14,16,17)"	C1=CC=C(C(=C1)CN2C=CC(=O)NC2=O)CCl	FVJWPQKWQKXGGC-UHFFFAOYSA-N
DG60132	"1-[[2-(Hydroxymethyl)phenyl]methyl]-5-phenylsulfanylpyrimidine-2,4-dione"	406212	NSC724242; CHEMBL1984962; NSC-724242	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724242	.	.	.	.	340.4	C18H16N2O3S	94.9	503	2.1	24	2	4	5	"InChI=1S/C18H16N2O3S/c21-12-14-7-5-4-6-13(14)10-20-11-16(17(22)19-18(20)23)24-15-8-2-1-3-9-15/h1-9,11,21H,10,12H2,(H,19,22,23)"	C1=CC=C(C=C1)SC2=CN(C(=O)NC2=O)CC3=CC=CC=C3CO	WXWLUVBPCAKXFZ-UHFFFAOYSA-N
DG60133	Quinolin-2-ylmethyl 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(quinolin-2-ylmethyl)piperazin-1-yl]quinoline-3-carboxylate	406214	NSC724257; NSC-724257	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724257	.	.	.	.	613.7	C37H32FN5O3	78.9	1140	5	46	0	9	8	"InChI=1S/C37H32FN5O3/c38-31-19-29-34(20-35(31)42-17-15-41(16-18-42)21-26-11-9-24-5-1-3-7-32(24)39-26)43(28-13-14-28)22-30(36(29)44)37(45)46-23-27-12-10-25-6-2-4-8-33(25)40-27/h1-12,19-20,22,28H,13-18,21,23H2"	C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC5=NC6=CC=CC=C6C=C5)F)C(=O)OCC7=NC8=CC=CC=C8C=C7	HUSIDYFTKMYNRM-UHFFFAOYSA-N
DG60134	"3-(2,3-Diphenyl-propan-1-one"	406245	"NSC724290; CHEMBL2001497; 3-(2,3-diphenyl-propan-1-one; AKOS024385657; MCULE-3313477983; NSC-724290"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724290	.	.	.	.	378.5	C23H22O3S	60.8	443	5.2	27	0	4	8	"InChI=1S/C23H22O3S/c1-25-19-13-14-21(26-2)23(15-19)27-22(18-11-7-4-8-12-18)16-20(24)17-9-5-3-6-10-17/h3-15,22H,16H2,1-2H3"	COC1=CC(=C(C=C1)OC)SC(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3	KVYJJPYPYXJBQY-UHFFFAOYSA-N
DG60135	"Bis{5-(3-indolyl)methylene triazolo[3,4-b]thiadiazole}disulfide"	406260	"NSC724305; CHEMBL1994949; NSC-724305; Bis{5-(3-indolyl)methylene triazolo[3,4-b]thiadiazole}disulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724305	.	.	.	.	572.7	C24H16N10S4	225	780	5.5	38	2	10	7	"InChI=1S/C24H16N10S4/c1-3-7-17-15(5-1)13(11-25-17)9-19-27-29-21-33(19)31-23(35-21)37-38-24-32-34-20(28-30-22(34)36-24)10-14-12-26-18-8-4-2-6-16(14)18/h1-8,11-12,25-26H,9-10H2"	C1=CC=C2C(=C1)C(=CN2)CC3=NN=C4N3N=C(S4)SSC5=NN6C(=NN=C6S5)CC7=CNC8=CC=CC=C87	ZFNMQXZIMYHHQE-UHFFFAOYSA-N
DG60136	Pyrazol-F	406270	Pyrazol-F; NSC724322; NSC-724322	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724322	.	.	.	.	408.5	C27H21FN2O	24.8	654	6.5	31	0	4	2	"InChI=1S/C27H21FN2O/c28-20-13-10-19(11-14-20)26-23-16-17-31-27-22-9-5-4-6-18(22)12-15-24(27)25(23)29-30(26)21-7-2-1-3-8-21/h1-15,23,26H,16-17H2"	C1COC2=C(C=CC3=CC=CC=C32)C4=NN(C(C41)C5=CC=C(C=C5)F)C6=CC=CC=C6	LHEARDLBBOOTJF-UHFFFAOYSA-N
DG60137	Aminopyrimidine-F	406276	Aminopyrimidine-F; NSC724328; NSC-724328	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724328	.	.	.	.	359.4	C22H18FN3O	59.6	625	3.3	27	2	3	1	"InChI=1S/C22H18FN3O/c23-15-8-5-14(6-9-15)19-17-11-12-27-21-16-4-2-1-3-13(16)7-10-18(21)20(17)26-22(24)25-19/h1-10,19H,11-12H2,(H3,24,25,26)"	C1COC2=C(C=CC3=CC=CC=C32)C4=C1C(N=C(N4)N)C5=CC=C(C=C5)F	QWSJVMPESHFASZ-UHFFFAOYSA-N
DG60138	Aminopyrimidine-CH3	406278	Aminopyrimidine-CH3; NSC724330; CHEMBL1983198; NSC-724330	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724330	.	.	.	.	355.4	C23H21N3O	59.6	619	3.5	27	2	2	1	"InChI=1S/C23H21N3O/c1-14-6-8-16(9-7-14)20-18-12-13-27-22-17-5-3-2-4-15(17)10-11-19(22)21(18)26-23(24)25-20/h2-11,20H,12-13H2,1H3,(H3,24,25,26)"	CC1=CC=C(C=C1)C2C3=C(C4=C(C5=CC=CC=C5C=C4)OCC3)NC(=N2)N	UCXARMUKMKBNJB-UHFFFAOYSA-N
DG60139	"3-(3,4-Dimethoxyphenyl)-8-methoxy-1H-2-benzopyran-1-one"	406328	"147666-84-0; 3-(3,4-Dimethoxyphenyl)-8-methoxy-1H-2-benzopyran-1-one; NSC724387; DTXSID60328116; NSC-724387; 3-(3,4-dimethoxyphenyl)-8-methoxyisocoumarin"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724387	.	.	.	.	312.3	C18H16O5	54	460	3.5	23	0	5	4	"InChI=1S/C18H16O5/c1-20-13-8-7-11(9-16(13)22-3)15-10-12-5-4-6-14(21-2)17(12)18(19)23-15/h4-10H,1-3H3"	COC1=C(C=C(C=C1)C2=CC3=C(C(=CC=C3)OC)C(=O)O2)OC	GHTACAVDDFVAHW-UHFFFAOYSA-N
DG60140	3-bromo-4-(3-chloro-4-methoxyphenyl)-2(5H)-furanone	406333	3-bromo-4-(3-chloro-4-methoxyphenyl)-2(5H)-furanone; NSC724392; 3-bromo-4-(3-chloro-4-methoxyphenyl)furan-2(5h)-one; NSC-724392; 401942-59-4	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724392	.	.	.	.	303.53	C11H8BrClO3	35.5	329	2.9	16	0	3	2	"InChI=1S/C11H8BrClO3/c1-15-9-3-2-6(4-8(9)13)7-5-16-11(14)10(7)12/h2-4H,5H2,1H3"	COC1=C(C=C(C=C1)C2=C(C(=O)OC2)Br)Cl	YQFWHGBYXSGNAU-UHFFFAOYSA-N
DG60141	Ethyl 4-Diethylamino-5-phenyl-1H-pyrazole-3-carboxylat	406395	NSC724459; NSC-724459; Ethyl 4-Diethylamino-5-phenyl-1H-pyrazole-3-carboxylat	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724459	.	.	.	.	273.33	C15H19N3O2	58.2	314	2.9	20	1	4	6	"InChI=1S/C15H19N3O2/c1-4-18(5-2)14-12(11-9-7-6-8-10-11)16-17-13(14)15(19)20-3/h6-10H,4-5H2,1-3H3,(H,16,17)"	CCN(CC)C1=C(NN=C1C2=CC=CC=C2)C(=O)OC	AFMXRIDUEKOCHI-UHFFFAOYSA-N
DG60142	4-(4-carbazol-9-ylbutanoylamino)-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide	406397	NSC724462; CHEMBL1991709; NSC-724462	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724462	.	.	.	.	581.7	C33H39N7O3	105	941	3.1	43	3	4	12	"InChI=1S/C33H39N7O3/c1-37(2)17-10-16-34-32(42)29-20-24(22-38(29)3)36-33(43)30-19-23(21-39(30)4)35-31(41)15-9-18-40-27-13-7-5-11-25(27)26-12-6-8-14-28(26)40/h5-8,11-14,19-22H,9-10,15-18H2,1-4H3,(H,34,42)(H,35,41)(H,36,43)"	CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)CCCN3C4=CC=CC=C4C5=CC=CC=C53	IGSXCXLJGXJXMS-UHFFFAOYSA-N
DG60143	"Ethyl 7-(p-chlorophenyl)hydrazo-3-methyl-6-oxo thieno[2,2-b]thiophen-2-carboxylate"	406455	"NSC724529; NSC-724529; Ethyl 7-(p-chlorophenyl)hydrazo-3-methyl-6-oxo thieno[2,2-b]thiophen-2-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724529	.	.	.	.	465	C18H13ClN4O3S3	173	797	5.6	29	1	9	5	"InChI=1S/C18H13ClN4O3S3/c1-3-26-17(25)12-8(2)11-13(28-12)20-18-23(16(11)27)15(24)14(29-18)22-21-10-6-4-9(19)5-7-10/h4-7,24H,3H2,1-2H3"	CCOC(=O)C1=C(C2=C(S1)N=C3N(C2=S)C(=C(S3)N=NC4=CC=C(C=C4)Cl)O)C	VNZMDGCCCWWVBC-UHFFFAOYSA-N
DG60144	"2-(4-phenylsulfanyl-benzyl)-1H-naphth[2,3-d]imidazole"	406459	"NSC724550; NSC-724550; 2-(4-phenylsulfanyl-benzyl)-1H-naphth[2,3-d]imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724550	.	.	.	.	366.5	C24H18N2S	54	469	6.4	27	1	2	4	"InChI=1S/C24H18N2S/c1-2-8-20(9-3-1)27-21-12-10-17(11-13-21)14-24-25-22-15-18-6-4-5-7-19(18)16-23(22)26-24/h1-13,15-16H,14H2,(H,25,26)"	C1=CC=C(C=C1)SC2=CC=C(C=C2)CC3=NC4=CC5=CC=CC=C5C=C4N3	HFSRSFGELVZLQI-UHFFFAOYSA-N
DG60145	1-Aza-9-oxafluorene deriv. 7a	406461	"NSC724552; BDBM7452; CHEMBL179219; 1-aza-9-oxafluorene deriv. 7a; NSC-724552; 4-methyl-3-phenyl-8-oxa-6-azatricyclo[7.4.0.0;{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-12-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724552	.	.	.	.	275.3	C18H13NO2	46.3	368	4.6	21	1	3	1	"InChI=1S/C18H13NO2/c1-11-10-19-18-17(16(11)12-5-3-2-4-6-12)14-9-13(20)7-8-15(14)21-18/h2-10,20H,1H3"	CC1=CN=C2C(=C1C3=CC=CC=C3)C4=C(O2)C=CC(=C4)O	OJTSQWGMSXHCRU-UHFFFAOYSA-N
DG60146	"6-Hydroxy-3-methoxy-4-phenylbenzo[4,3-b]pyridine"	406462	"NSC724553; BDBM7453; CHEMBL183408; 1-aza-9-oxafluorene deriv. 7b; NSC-724553; 6-Hydroxy-3-methoxy-4-phenylbenzo[4,3-b]pyridine; 4-methoxy-3-phenyl-8-oxa-6-azatricyclo[7.4.0.0;{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-12-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724553	.	.	.	.	291.3	C18H13NO3	55.5	385	4.2	22	1	4	2	"InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3"	COC1=CN=C2C(=C1C3=CC=CC=C3)C4=C(O2)C=CC(=C4)O	MVQYJJBKEKHCBP-UHFFFAOYSA-N
DG60147	"S-(dimethylarsino)-3-mercapto-1,2-propanediol"	406475	"S-(dimethylarsino)-3-mercapto-1,2-propanediol; NSC724596; CHEMBL410178; NSC-724596; 876514-39-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724596	.	.	.	.	212.14	C5H13AsO2S	65.8	70	.	9	2	3	4	"InChI=1S/C5H13AsO2S/c1-6(2)9-4-5(8)3-7/h5,7-8H,3-4H2,1-2H3"	C[As](C)SCC(CO)O	FVXVTPBIFULFRU-UHFFFAOYSA-N
DG60148	"S-(diethylarsino)-3-mercapto-1,2-propanediol"	406476	"NSC724597; CHEMBL234956; NSC-724597; S-(diethylarsino)-3-mercapto-1,2-propanediol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724597	.	.	.	.	240.2	C7H17AsO2S	65.8	88.5	.	11	2	3	6	"InChI=1S/C7H17AsO2S/c1-3-8(4-2)11-6-7(10)5-9/h7,9-10H,3-6H2,1-2H3"	CC[As](CC)SCC(CO)O	NTRDIXNRWQASAZ-UHFFFAOYSA-N
DG60149	"S-(dipropylarsino)-3-mercapto-1,2-propanediol"	406477	"NSC724598; CHEMBL231841; SCHEMBL1296955; NSC-724598; S-(dipropylarsino)-3-mercapto-1,2-propanediol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724598	.	.	.	.	268.25	C9H21AsO2S	65.8	108	.	13	2	3	8	"InChI=1S/C9H21AsO2S/c1-3-5-10(6-4-2)13-8-9(12)7-11/h9,11-12H,3-8H2,1-2H3"	CCC[As](CCC)SCC(CO)O	PITSAYCDYJYBJS-UHFFFAOYSA-N
DG60150	"S-(diisopropylarsino)-3-mercapto-1,2-propanediol"	406478	"NSC724599; CHEMBL390470; NSC-724599; S-(diisopropylarsino)-3-mercapto-1,2-propanediol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724599	.	.	.	.	268.25	C9H21AsO2S	65.8	123	.	13	2	3	6	"InChI=1S/C9H21AsO2S/c1-7(2)10(8(3)4)13-6-9(12)5-11/h7-9,11-12H,5-6H2,1-4H3"	CC(C)[As](C(C)C)SCC(CO)O	BKAVMIAREOTDPR-UHFFFAOYSA-N
DG60151	"S-(dimethylarsino)-3-mercapto-1,2-propyl diacetate"	406479	"NSC724600; CHEMBL234958; NSC-724600; S-(dimethylarsino)-3-mercapto-1,2-propyl diacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724600	.	.	.	.	296.22	C9H17AsO4S	77.9	220	.	15	0	5	8	"InChI=1S/C9H17AsO4S/c1-7(11)13-5-9(14-8(2)12)6-15-10(3)4/h9H,5-6H2,1-4H3"	CC(=O)OCC(CS[As](C)C)OC(=O)C	WOCSEHQYFVWGTQ-UHFFFAOYSA-N
DG60152	"S-(dimethylarsino)-3-mercapto-1,2-propyl dinonanoate"	406480	"NSC724601; NSC-724601; S-(dimethylarsino)-3-mercapto-1,2-propyl dinonanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724601	.	.	.	.	492.6	C23H45AsO4S	77.9	404	.	29	0	5	22	"InChI=1S/C23H45AsO4S/c1-5-7-9-11-13-15-17-22(25)27-19-21(20-29-24(3)4)28-23(26)18-16-14-12-10-8-6-2/h21H,5-20H2,1-4H3"	CCCCCCCCC(=O)OCC(CS[As](C)C)OC(=O)CCCCCCCC	QKXQMXJWKTXCJW-UHFFFAOYSA-N
DG60153	"S-(dimethylarsino)-3-mercapto-1,2-propyl dibenzoate"	406481	"NSC724602; NSC-724602; S-(dimethylarsino)-3-mercapto-1,2-propyl dibenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724602	.	.	.	.	420.4	C19H21AsO4S	77.9	418	.	25	0	5	10	"InChI=1S/C19H21AsO4S/c1-20(2)25-14-17(24-19(22)16-11-7-4-8-12-16)13-23-18(21)15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3"	C[As](C)SCC(COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2	VYMIUTJJAODVSX-UHFFFAOYSA-N
DG60154	"S-(dimethylarsino)-3-mercapto-1,2-propyl di-2-chloro-2-phenylacetate"	406482	"NSC724603; CHEMBL396528; NSC-724603; S-(dimethylarsino)-3-mercapto-1,2-propyl di-2-chloro-2-phenylacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724603	.	.	.	.	517.299	C21H23AsCl2O4S	77.9	511	.	29	0	5	12	"InChI=1S/C21H23AsCl2O4S/c1-22(2)29-14-17(28-21(26)19(24)16-11-7-4-8-12-16)13-27-20(25)18(23)15-9-5-3-6-10-15/h3-12,17-19H,13-14H2,1-2H3"	C[As](C)SCC(COC(=O)C(C1=CC=CC=C1)Cl)OC(=O)C(C2=CC=CC=C2)Cl	SNSGULBHZHJFPY-UHFFFAOYSA-N
DG60155	Yliedene dicyano	406495	Yliedene dicyano; NSC724622; NSC-724622	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724622	.	.	.	.	260.29	C17H12N2O	56.8	486	3.2	20	0	3	0	"InChI=1S/C17H12N2O/c18-10-13(11-19)14-6-3-9-20-17-15-5-2-1-4-12(15)7-8-16(14)17/h1-2,4-5,7-8H,3,6,9H2"	C1CC(=C(C#N)C#N)C2=C(C3=CC=CC=C3C=C2)OC1	PPYZPBCYWRPKIM-UHFFFAOYSA-N
DG60156	cyano pyridine-P-CH3	406496	NSC724623; cyano pyridine -P-CH3; NSC-724623	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724623	.	.	.	.	377.4	C25H19N3O	71.9	621	5.7	29	1	4	1	"InChI=1S/C25H19N3O/c1-15-6-8-17(9-7-15)23-19-12-13-29-24-18-5-3-2-4-16(18)10-11-20(24)22(19)21(14-26)25(27)28-23/h2-11H,12-13H2,1H3,(H2,27,28)"	CC1=CC=C(C=C1)C2=NC(=C(C3=C2CCOC4=C3C=CC5=CC=CC=C54)C#N)N	YCMLFBCKYRENRA-UHFFFAOYSA-N
DG60157	cyanopyridine-OCH3	406497	NSC724624; cyanopyridine - OCH3; NSC-724624	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724624	.	.	.	.	393.4	C25H19N3O2	81.2	640	5.3	30	1	5	2	"InChI=1S/C25H19N3O2/c1-29-17-9-6-16(7-10-17)23-19-12-13-30-24-18-5-3-2-4-15(18)8-11-20(24)22(19)21(14-26)25(27)28-23/h2-11H,12-13H2,1H3,(H2,27,28)"	COC1=CC=C(C=C1)C2=NC(=C(C3=C2CCOC4=C3C=CC5=CC=CC=C54)C#N)N	MJNKELXSVHNDGL-UHFFFAOYSA-N
DG60158	"3-([2,5-Dione"	406498	"NSC724625; 3-([2,5 -dione; NSC-724625"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724625	.	.	.	.	456.5	C29H20N4O2	84.8	916	4.8	35	3	2	3	"InChI=1S/C29H20N4O2/c1-33-28(34)25(19-14-30-21-11-5-2-8-16(19)21)26(29(33)35)24-18-10-4-7-13-23(18)32-27(24)20-15-31-22-12-6-3-9-17(20)22/h2-15,30-32H,1H3"	CN1C(=O)C(=C(C1=O)C2=C(NC3=CC=CC=C32)C4=CNC5=CC=CC=C54)C6=CNC7=CC=CC=C76	FVWIGKJPZXNSTP-UHFFFAOYSA-N
DG60159	"4,3-f]Indole-5,10-d ione"	406500	"NSC724627; 4,3-f]indole-5,10-d ione; NSC-724627"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724627	.	.	.	.	363.4	C20H21N5O2	126	571	2.2	27	5	6	6	"InChI=1S/C20H21N5O2/c21-6-9-24-16-13-5-8-23-17(13)18(25-10-7-22)15-14(16)19(26)11-3-1-2-4-12(11)20(15)27/h1-5,8,23-25H,6-7,9-10,21-22H2"	C1=CC=C2C(=C1)C(=O)C3=C(C4=C(C(=C3C2=O)NCCN)NC=C4)NCCN	GWNRWDLWFKJZKW-UHFFFAOYSA-N
DG60160	"4,3-f]In dole-5,10-dione"	406501	"NSC724628; 4,3-f]in dole-5,10-dione; NSC-724628"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724628	.	.	.	.	419.5	C24H29N5O2	80.5	654	4.1	31	3	6	8	"InChI=1S/C24H29N5O2/c1-28(2)13-11-26-20-17-9-10-25-21(17)22(27-12-14-29(3)4)19-18(20)23(30)15-7-5-6-8-16(15)24(19)31/h5-10,25-27H,11-14H2,1-4H3"	CN(C)CCNC1=C2C(=C(C3=C1C=CN3)NCCN(C)C)C(=O)C4=CC=CC=C4C2=O	ZRXDVCHRRZECNK-UHFFFAOYSA-N
DG60161	"4,11-bis[2-(2-hydroxyethylamino)ethylamino]-1H-naphtho[2,3-f]indole-5,10-dione"	406502	NSC724629; NSC-724629	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724629	.	.	.	.	451.5	C24H29N5O4	139	665	1.8	33	7	8	12	"InChI=1S/C24H29N5O4/c30-13-11-25-7-9-28-20-17-5-6-27-21(17)22(29-10-8-26-12-14-31)19-18(20)23(32)15-3-1-2-4-16(15)24(19)33/h1-6,25-31H,7-14H2"	C1=CC=C2C(=C1)C(=O)C3=C(C4=C(C(=C3C2=O)NCCNCCO)NC=C4)NCCNCCO	QMFUMLXBYPVCNG-UHFFFAOYSA-N
DG60162	"1-[4-[(1,3-Dihydroxy-2-methylpropan-2-yl)amino]butyl]-5,10-dihydroxynaphtho[2,3-f]indole-4,11-dione"	406504	NSC724631; NSC-724631	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724631	.	.	.	.	438.5	C24H26N2O6	132	698	2.7	32	5	7	8	"InChI=1S/C24H26N2O6/c1-24(12-27,13-28)25-9-4-5-10-26-11-8-16-19(26)23(32)18-17(22(16)31)20(29)14-6-2-3-7-15(14)21(18)30/h2-3,6-8,11,25,27-30H,4-5,9-10,12-13H2,1H3"	CC(CO)(CO)NCCCCN1C=CC2=C1C(=O)C3=C(C4=CC=CC=C4C(=C3C2=O)O)O	XKBZKSAZOWSJOR-UHFFFAOYSA-N
DG60163	"4,3-f] Indole-5,10-dione"	406505	"4,3-f] indole-5,10-dione; NSC724632; NSC-724632"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724632	.	.	.	.	418.5	C25H26N2O4	82.8	678	5.1	31	2	5	5	"InChI=1S/C25H26N2O4/c28-22-16-8-2-3-9-17(16)23(29)20-19(22)24(30)18-10-15-27(21(18)25(20)31)14-7-6-13-26-11-4-1-5-12-26/h2-3,8-10,15,28-29H,1,4-7,11-14H2"	C1CCN(CC1)CCCCN2C=CC3=C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O	IFUVNVBJKAZYEC-UHFFFAOYSA-N
DG60164	"4,3-f]i Ndole-5,10-dione"	406506	"4,3-f]i ndole-5,10-dione; NSC724633; NSC-724633"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724633	.	.	.	.	420.5	C24H24N2O5	92	681	3.9	31	2	6	5	"InChI=1S/C24H24N2O5/c27-21-15-5-1-2-6-16(15)22(28)19-18(21)23(29)17-7-10-26(20(17)24(19)30)9-4-3-8-25-11-13-31-14-12-25/h1-2,5-7,10,27-28H,3-4,8-9,11-14H2"	C1COCCN1CCCCN2C=CC3=C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O	PSPYFCFGMNYFMG-UHFFFAOYSA-N
DG60165	"1-[4-(Dimethylamino)butyl]-4,3-f]i ndole-5,10-dione"	406507	"NSC724634; NSC-724634; 1-[4-(dimethylamino)butyl]-4,3-f]i ndole-5,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724634	.	.	.	.	378.4	C22H22N2O4	82.8	609	4.3	28	2	5	5	"InChI=1S/C22H22N2O4/c1-23(2)10-5-6-11-24-12-9-15-18(24)22(28)17-16(21(15)27)19(25)13-7-3-4-8-14(13)20(17)26/h3-4,7-9,12,25-26H,5-6,10-11H2,1-2H3"	CN(C)CCCCN1C=CC2=C1C(=O)C3=C(C4=CC=CC=C4C(=C3C2=O)O)O	JOFDTDTYNVMMRI-UHFFFAOYSA-N
DG60166	"4,1-bis(hydroxymethyl)ethyl] amino}butyl)-1H-naphtho[2,3-f]indole-5,10-dione"	406508	"NSC724635; NSC-724635; 4,1-bis(hydroxymethyl)ethyl] amino}butyl)-1H-naphtho[2,3-f]indole-5,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724635	.	.	.	.	454.5	C24H26N2O7	152	707	1.6	33	6	8	9	"InChI=1S/C24H26N2O7/c27-11-24(12-28,13-29)25-8-3-4-9-26-10-7-16-19(26)23(33)18-17(22(16)32)20(30)14-5-1-2-6-15(14)21(18)31/h1-2,5-7,10,25,27-31H,3-4,8-9,11-13H2"	C1=CC=C2C(=C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CN4CCCCNC(CO)(CO)CO)O	BASKDUHPCSDCJY-UHFFFAOYSA-N
DG60167	"5-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole"	406532	NSC724662; NSC-724662	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724662	.	.	.	.	393.4	C21H19N3O5	102	602	3.9	29	1	7	5	"InChI=1S/C21H19N3O5/c1-27-14-5-3-13(4-6-14)17-12-18(23-22-17)21-10-9-20(29-21)16-8-7-15(28-2)11-19(16)24(25)26/h3-11,18,23H,12H2,1-2H3"	COC1=CC=C(C=C1)C2=NNC(C2)C3=CC=C(O3)C4=C(C=C(C=C4)OC)[N+](=O)[O-]	AAOPEWFYDGSQMN-UHFFFAOYSA-N
DG60168	"4-[5-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]-4,5-dihydro-1H-pyrazol-3-yl]phenol"	406533	NSC724663; NSC-724663	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724663	.	.	.	.	379.4	C20H17N3O5	113	587	3.5	28	2	7	4	"InChI=1S/C20H17N3O5/c1-27-14-6-7-15(18(10-14)23(25)26)19-8-9-20(28-19)17-11-16(21-22-17)12-2-4-13(24)5-3-12/h2-10,17,22,24H,11H2,1H3"	COC1=CC(=C(C=C1)C2=CC=C(O2)C3CC(=NN3)C4=CC=C(C=C4)O)[N+](=O)[O-]	TYQKHBHWNXWQGY-UHFFFAOYSA-N
DG60169	"3-chloro-N-(4-methoxyphenyl)furo[2,3-b]quinolin-4-amine"	406537	NSC724685; NSC-724685	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724685	.	.	.	.	324.8	C18H13ClN2O2	47.3	403	4.8	23	1	4	3	"InChI=1S/C18H13ClN2O2/c1-22-12-8-6-11(7-9-12)20-17-13-4-2-3-5-15(13)21-18-16(17)14(19)10-23-18/h2-10H,1H3,(H,20,21)"	COC1=CC=C(C=C1)NC2=C3C(=COC3=NC4=CC=CC=C42)Cl	ILKNZAUKLDAMMV-UHFFFAOYSA-N
DG60170	"1-(4-Furo[2,3-b]quinolin-4-yloxyphenyl)ethanone"	406545	NSC724693; NSC-724693	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724693	.	.	.	.	303.3	C19H13NO3	52.3	432	3.9	23	0	4	3	"InChI=1S/C19H13NO3/c1-12(21)13-6-8-14(9-7-13)23-18-15-4-2-3-5-17(15)20-19-16(18)10-11-22-19/h2-11H,1H3"	CC(=O)C1=CC=C(C=C1)OC2=C3C=COC3=NC4=CC=CC=C42	FCKWPLBUVFUNEW-UHFFFAOYSA-N
DG60171	"4-(4-Furo[2,3-b]quinolin-4-yloxyphenyl)butan-2-one"	406547	NSC724695; NSC-724695	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724695	.	.	.	.	331.4	C21H17NO3	52.3	460	4.1	25	0	4	5	"InChI=1S/C21H17NO3/c1-14(23)6-7-15-8-10-16(11-9-15)25-20-17-4-2-3-5-19(17)22-21-18(20)12-13-24-21/h2-5,8-13H,6-7H2,1H3"	CC(=O)CCC1=CC=C(C=C1)OC2=C3C=COC3=NC4=CC=CC=C42	PKZWXKJZOLEXPL-UHFFFAOYSA-N
DG60172	"4-(4-Furo[2,3-b]quinolin-4-yloxyphenyl)butan-2-ol"	406548	NSC724696; NSC-724696	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724696	.	.	.	.	333.4	C21H19NO3	55.5	423	4.6	25	1	4	5	"InChI=1S/C21H19NO3/c1-14(23)6-7-15-8-10-16(11-9-15)25-20-17-4-2-3-5-19(17)22-21-18(20)12-13-24-21/h2-5,8-14,23H,6-7H2,1H3"	CC(CCC1=CC=C(C=C1)OC2=C3C=COC3=NC4=CC=CC=C42)O	KBNTVQCGFMEOPK-UHFFFAOYSA-N
DG60173	"4-Furo[2,3-b]quinolin-4-yloxybenzaldehyde"	406549	NSC724697; NSC-724697	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724697	.	.	.	.	289.3	C18H11NO3	52.3	394	3.7	22	0	4	3	InChI=1S/C18H11NO3/c20-11-12-5-7-13(8-6-12)22-17-14-3-1-2-4-16(14)19-18-15(17)9-10-21-18/h1-11H	C1=CC=C2C(=C1)C(=C3C=COC3=N2)OC4=CC=C(C=C4)C=O	VSFHIHGPMITGOD-UHFFFAOYSA-N
DG60174	"(4-Furo[2,3-b]quinolin-4-yloxyphenyl)methanol"	406550	NSC724698; NSC-724698	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724698	.	.	.	.	291.3	C18H13NO3	55.5	369	3.3	22	1	4	3	"InChI=1S/C18H13NO3/c20-11-12-5-7-13(8-6-12)22-17-14-3-1-2-4-16(14)19-18-15(17)9-10-21-18/h1-10,20H,11H2"	C1=CC=C2C(=C1)C(=C3C=COC3=N2)OC4=CC=C(C=C4)CO	ODOAHMRPFYDXGF-UHFFFAOYSA-N
DG60175	"4-[4-(2,3-Dihydrofuro[2,3-b]quinolin-4-yloxy)phenyl]butan-2-one"	406552	NSC724700; NSC-724700	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724700	.	.	.	.	333.4	C21H19NO3	48.4	460	4	25	0	4	5	"InChI=1S/C21H19NO3/c1-14(23)6-7-15-8-10-16(11-9-15)25-20-17-4-2-3-5-19(17)22-21-18(20)12-13-24-21/h2-5,8-11H,6-7,12-13H2,1H3"	CC(=O)CCC1=CC=C(C=C1)OC2=C3CCOC3=NC4=CC=CC=C42	KJLIGVYYYRFJGG-UHFFFAOYSA-N
DG60176	5-Hydroxy-10-methoxy-1-methylbenzo[g]quinolin-4-one	406554	NSC724702; NSC-724702	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724702	.	.	.	.	255.27	C15H13NO3	49.8	395	3.1	19	1	4	1	"InChI=1S/C15H13NO3/c1-16-8-7-11(17)12-13(16)15(19-2)10-6-4-3-5-9(10)14(12)18/h3-8,18H,1-2H3"	CN1C=CC(=O)C2=C(C3=CC=CC=C3C(=C21)OC)O	DKDZRORVIAQRPB-UHFFFAOYSA-N
DG60177	"1-Methyl-4-oxo-5,10-dimethoxy-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid ethyl ester"	406556	"NSC724704; NSC-724704; 1-Methyl-4-oxo-5,10-dimethoxy-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724704	.	.	.	.	341.4	C19H19NO5	65.099	560	3.3	25	0	6	5	"InChI=1S/C19H19NO5/c1-5-25-19(22)13-10-20(2)15-14(16(13)21)17(23-3)11-8-6-7-9-12(11)18(15)24-4/h6-10H,5H2,1-4H3"	CCOC(=O)C1=CN(C2=C(C3=CC=CC=C3C(=C2C1=O)OC)OC)C	CMCUGCVESSBXGT-UHFFFAOYSA-N
DG60178	NSC724783	406570	"1-[1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]-N,N-bis[[1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methyl]methanamine; NSC724783; NSC-724783; [1,14,15,16-tetraoxatetra cyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]-N,N-bis{[1,5-dim ethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10 .3.1.04,13.08,13]hexadec-9-en-9-yl]methyl}methanamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724783	.	.	.	.	1014	C48H60F9NO12	114	2020	8.5	70	0	22	6	"InChI=1S/C48H60F9NO12/c1-22-7-10-31-25(34(46(49,50)51)59-37-43(31)28(22)13-16-40(4,62-37)65-68-43)19-58(20-26-32-11-8-23(2)29-14-17-41(5)63-38(44(29,32)69-66-41)60-35(26)47(52,53)54)21-27-33-12-9-24(3)30-15-18-42(6)64-39(45(30,33)70-67-42)61-36(27)48(55,56)57/h22-24,28-33,37-39H,7-21H2,1-6H3"	CC1CCC2C(=C(OC3C24C1CCC(O3)(OO4)C)C(F)(F)F)CN(CC5=C(OC6C78C5CCC(C7CCC(O6)(OO8)C)C)C(F)(F)F)CC9=C(OC1C23C9CCC(C2CCC(O1)(OO3)C)C)C(F)(F)F	BORNDRGGNPYKQJ-UHFFFAOYSA-N
DG60179	"5-Benzyl-9-hydroxy-5H-indeno[1,2-b]indol-10-one"	406582	"NSC724794; CHEMBL1957205; NSC-724794; 5-Benzyl-9-hydroxy-5H-indeno[1,2-b]indol-10-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724794	.	.	.	.	325.4	C22H15NO2	42.2	514	4.4	25	1	2	2	"InChI=1S/C22H15NO2/c24-18-12-6-11-17-19(18)20-21(15-9-4-5-10-16(15)22(20)25)23(17)13-14-7-2-1-3-8-14/h1-12,24H,13H2"	C1=CC=C(C=C1)CN2C3=C(C(=CC=C3)O)C4=C2C5=CC=CC=C5C4=O	KBWYFFCXQKUBNZ-UHFFFAOYSA-N
DG60180	"1-ethyl-3-[4-(3-methyl-3H-pyrrolo[3,2-f]quinolin-9-yloxy)-ph enyl]-urea"	406604	"NSC724818; NSC-724818; 1-ethyl-3-[4-(3-methyl-3H-pyrrolo[3,2-f]quinolin-9-yloxy)-ph enyl]-urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724818	.	.	.	.	360.4	C21H20N4O2	68.2	508	3.2	27	2	3	4	"InChI=1S/C21H20N4O2/c1-3-22-21(26)24-14-4-6-15(7-5-14)27-19-10-12-23-17-8-9-18-16(20(17)19)11-13-25(18)2/h4-13H,3H2,1-2H3,(H2,22,24,26)"	CCNC(=O)NC1=CC=C(C=C1)OC2=C3C4=C(C=CC3=NC=C2)N(C=C4)C	YNOIPVQBAUFGDO-UHFFFAOYSA-N
DG60181	"1,7-Difluoro-2-ethylcarbonyl-3-trifluoromethy lquinoxaline"	406607	"NSC724827; CHEMBL1774860; NSC-724827; 1,7-difluoro-2-ethylcarbonyl-3-trifluoromethy lquinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724827	.	.	.	.	322.19	C12H7F5N2O3	63.4	533	1.5	22	0	9	2	"InChI=1S/C12H7F5N2O3/c1-2-9(20)10-11(12(15,16)17)19(22)8-4-6(14)5(13)3-7(8)18(10)21/h3-4H,2H2,1H3"	CCC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)F)F)[O-])C(F)(F)F	HULPUJYAFUJPGV-UHFFFAOYSA-N
DG60182	"1,4-di-N-oxide-2-acethyl-3-trifluoromethylquinoxaline"	406608	"NSC724828; CHEMBL1774867; NSC-724828; 1,4-di-N-oxide-2-acethyl-3-trifluoromethylquinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724828	.	.	.	.	272.18	C11H7F3N2O3	63.4	459	0.8	19	0	7	1	"InChI=1S/C11H7F3N2O3/c1-6(17)9-10(11(12,13)14)16(19)8-5-3-2-4-7(8)15(9)18/h2-5H,1H3"	CC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])C(F)(F)F	OLTLCPGFNFJXOB-UHFFFAOYSA-N
DG60183	"6-Methyl-6h-[1,2,3,4,5]pentathiepino[6,7-b]pyrrole"	406614	"NSC724854; 6-methyl-6h-[1,2,3,4,5]pentathiepino[6,7-b]pyrrole; NSC-724854; 467242-28-0; 1-Methyl-1H-4,6,7,8-pentahia-1-aza-azulene; 1-Methyl-1H-1-aza-4,5,6,7,8-pentathiaazulene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724854	.	.	.	.	239.4	C5H5NS5	131	143	2.5	11	0	5	0	"InChI=1S/C5H5NS5/c1-6-3-2-4-5(6)8-10-11-9-7-4/h2-3H,1H3"	CN1C=CC2=C1SSSSS2	VKMSHSBRBPPUAW-UHFFFAOYSA-N
DG60184	"N,N,N',N'-Tetraethyl-2,4,5,6,7,8-hexathiaazulene-1,3-diamine"	406615	"NSC724855; NSC-724855; N6,N6,N8,N8-tetraethylthieno[3,4-f]pentathiepine-6,8-diamine; N,N,N',N'-Tetraethyl-2,4,5,6,7,8-hexathiaazulene-1,3-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724855	.	.	.	.	384.7	C12H20N2S6	161	261	5.5	20	0	8	6	"InChI=1S/C12H20N2S6/c1-5-13(6-2)11-9-10(17-19-20-18-16-9)12(15-11)14(7-3)8-4/h5-8H2,1-4H3"	CCN(CC)C1=C2C(=C(S1)N(CC)CC)SSSSS2	USFSNINESMUBSY-UHFFFAOYSA-N
DG60185	NSC724858	406618	N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[3-(1H-indol-3-yl)propanoylamino]-1-methylpyrrole-2-carboxamide; NSC724858; NSC-724858	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724858	.	.	.	.	639.7	C34H41N9O4	150	1110	1.7	47	5	5	13	"InChI=1S/C34H41N9O4/c1-40(2)14-8-13-35-32(45)28-16-24(20-41(28)3)38-34(47)30-17-25(21-43(30)5)39-33(46)29-15-23(19-42(29)4)37-31(44)12-11-22-18-36-27-10-7-6-9-26(22)27/h6-7,9-10,15-21,36H,8,11-14H2,1-5H3,(H,35,45)(H,37,44)(H,38,47)(H,39,46)"	CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCCN(C)C)C)C)NC(=O)CCC4=CNC5=CC=CC=C54	JFBDRRFDFLUQOW-UHFFFAOYSA-N
DG60186	"2-[(3,4-Dimethoxy-phenyl)amino]-3-phenyl-5,7-diamino-quinoxaline"	406624	"CHEMBL464503; NSC724864; BDBM50251157; NSC-724864; 2-[(3,4-Dimethoxy-phenyl)amino]-3-phenyl-5,7-diamino-quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724864	.	.	.	.	387.4	C22H21N5O2	108	517	3.3	29	3	7	5	"InChI=1S/C22H21N5O2/c1-28-18-9-8-15(12-19(18)29-2)25-22-20(13-6-4-3-5-7-13)27-21-16(24)10-14(23)11-17(21)26-22/h3-12H,23-24H2,1-2H3,(H,25,26)"	COC1=C(C=C(C=C1)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N)OC	AMDGRINHHRBMDZ-UHFFFAOYSA-N
DG60187	"2-[(3,7-Diaminoquinoxali ne"	406625	"NSC724865; 2-[(3,7-diaminoquinoxali ne; CHEMBL488946; NSC-724865"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724865	.	.	.	.	401.5	C23H23N5O2	108	532	3.3	30	3	7	6	"InChI=1S/C23H23N5O2/c1-29-19-9-8-14(10-20(19)30-2)13-26-23-21(15-6-4-3-5-7-15)28-22-17(25)11-16(24)12-18(22)27-23/h3-12H,13,24-25H2,1-2H3,(H,26,27)"	COC1=C(C=C(C=C1)CNC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N)OC	KVKUTCBECKBIPV-UHFFFAOYSA-N
DG60188	Ethyl N-[4-(6-trifluoromethylquinoxalin-2-yl)aminobenzoyl]-N'-pipe ridyl-2-carboxylate	406627	NSC724867; NSC-724867; Ethyl N-[4-(6-trifluoromethylquinoxalin-2-yl)aminobenzoyl]-N'-pipe ridyl-2-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724867	.	.	.	.	472.5	C24H23F3N4O3	84.4	714	4.6	34	1	9	6	"InChI=1S/C24H23F3N4O3/c1-2-34-23(33)20-5-3-4-12-31(20)22(32)15-6-9-17(10-7-15)29-21-14-28-19-13-16(24(25,26)27)8-11-18(19)30-21/h6-11,13-14,20H,2-5,12H2,1H3,(H,29,30)"	CCOC(=O)C1CCCCN1C(=O)C2=CC=C(C=C2)NC3=CN=C4C=C(C=CC4=N3)C(F)(F)F	PUQFMDQADADNJP-UHFFFAOYSA-N
DG60189	"8-Chloro-3-(naphthalen-1-ylamino)-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carbonitrile"	406667	"NSC724907; NSC-724907; 8-Chloro-7-cyano-3-(1-naphthylamino)-5,2,4]triazol o[4,3-b][1,4,2]benzodithiazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724907	.	.	.	.	439.9	C19H10ClN5O2S2	134	783	4.6	29	1	7	2	"InChI=1S/C19H10ClN5O2S2/c20-14-9-16-17(8-12(14)10-21)29(26,27)25-18(23-24-19(25)28-16)22-15-7-3-5-11-4-1-2-6-13(11)15/h1-9H,(H,22,23)"	C1=CC=C2C(=C1)C=CC=C2NC3=NN=C4N3S(=O)(=O)C5=C(S4)C=C(C(=C5)C#N)Cl	IXXLANTTYYZKPE-UHFFFAOYSA-N
DG60190	"4-(2'-Thienylidene amino)-6-benzylmercapto pyrazolo[3,4-d]pyrimidine"	406681	"NSC724946; NSC-724946; 4-(2'-Thienylidene amino)-6-benzylmercapto pyrazolo[3,4-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724946	.	.	.	.	351.5	C17H13N5S2	120	429	4.2	24	1	6	5	"InChI=1S/C17H13N5S2/c1-2-5-12(6-3-1)11-24-17-20-15(14-10-19-22-16(14)21-17)18-9-13-7-4-8-23-13/h1-10H,11H2,(H,19,20,21,22)"	C1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=N2)N=CC4=CC=CS4	LDJLZRDHHGESEN-UHFFFAOYSA-N
DG60191	"6-Benzylmercapto-4-(2'-hydroxybenzylidene amino)pyrazolo[3,4-d]pyrimidine"	406684	"NSC724949; NSC-724949; 6-Benzylmercapto-4-(2'-hydroxybenzylidene amino)pyrazolo[3,4-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724949	.	.	.	.	361.4	C19H15N5OS	112	473	3.8	26	2	6	5	"InChI=1S/C19H15N5OS/c25-16-9-5-4-8-14(16)10-20-17-15-11-21-24-18(15)23-19(22-17)26-12-13-6-2-1-3-7-13/h1-11,25H,12H2,(H,21,22,23,24)"	C1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=N2)N=CC4=CC=CC=C4O	AIMBUYJGBIPREM-UHFFFAOYSA-N
DG60192	"4-Amino-6-butylmercaptopyrazolo[3,4-d]pyrimidine"	406685	"NSC724950; 1h-pyrazolo[3,4-d]pyrimidin-4-amine,6-(butylthio)-; ZINC5838245; NSC-724950; 958807-36-8; 4-Amino-6-butylmercaptopyrazolo[3,4-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724950	.	.	.	.	223.3	C9H13N5S	106	203	1.9	15	2	5	4	"InChI=1S/C9H13N5S/c1-2-3-4-15-9-12-7(10)6-5-11-14-8(6)13-9/h5H,2-4H2,1H3,(H3,10,11,12,13,14)"	CCCCSC1=NC(=C2C=NNC2=N1)N	SNIIDNJBWCCGRA-UHFFFAOYSA-N
DG60193	"6-(Ethylthio)-1h-pyrazolo[3,4-d]pyrimidin-4-amine"	406689	"NSC724954; 6-(ethylthio)-1h-pyrazolo[3,4-d]pyrimidin-4-amine; ZINC5845623; AKOS006334183; MCULE-1602479316; NSC-724954; 4-Amino-6-ethylmercapto purazolo[3,4-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724954	.	.	.	.	195.25	C7H9N5S	106	178	1	13	2	5	2	"InChI=1S/C7H9N5S/c1-2-13-7-10-5(8)4-3-9-12-6(4)11-7/h3H,2H2,1H3,(H3,8,9,10,11,12)"	CCSC1=NC(=C2C=NNC2=N1)N	GQFOSQPCFXXWRM-UHFFFAOYSA-N
DG60194	"6-Ethylmercapto-4-(2'-thienylidine amino)pyrazolo[3,4-d]pyrimidine"	406690	"NSC724955; NSC-724955; 6-Ethylmercapto-4-(2'-thienylidine amino)pyrazolo[3,4-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724955	.	.	.	.	289.4	C12H11N5S2	120	327	3	19	1	6	4	"InChI=1S/C12H11N5S2/c1-2-18-12-15-10(9-7-14-17-11(9)16-12)13-6-8-4-3-5-19-8/h3-7H,2H2,1H3,(H,14,15,16,17)"	CCSC1=NC2=C(C=NN2)C(=N1)N=CC3=CC=CS3	OELFOZLSIRKZST-UHFFFAOYSA-N
DG60195	"6-Ethylmercapto-4-(2'-hydroxybenzylidene amino)pyrazolo[3,4-d]pyrimidine"	406692	"NSC724957; NSC-724957; 6-Ethylmercapto-4-(2'-hydroxybenzylidene amino)pyrazolo[3,4-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724957	.	.	.	.	299.35	C14H13N5OS	112	369	2.7	21	2	6	4	"InChI=1S/C14H13N5OS/c1-2-21-14-17-12(10-8-16-19-13(10)18-14)15-7-9-5-3-4-6-11(9)20/h3-8,20H,2H2,1H3,(H,16,17,18,19)"	CCSC1=NC2=C(C=NN2)C(=N1)N=CC3=CC=CC=C3O	LPSQXNMAXSXJPU-UHFFFAOYSA-N
DG60196	"4-Amino-6-benzyloxypyrazolo[3,4-d]pyrimidine"	406693	"NSC724958; 1h-pyrazolo[3,4-d]pyrimidin-4-amine,6-(phenylmethoxy)-; ZINC5934234; NSC-724958; 958779-30-1; 4-Amino-6-benzyloxypyrazolo[3,4-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724958	.	.	.	.	241.25	C12H11N5O	89.7	271	1.6	18	2	5	3	"InChI=1S/C12H11N5O/c13-10-9-6-14-17-11(9)16-12(15-10)18-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,13,14,15,16,17)"	C1=CC=C(C=C1)COC2=NC(=C3C=NNC3=N2)N	RRGFUPPGEPWJKT-UHFFFAOYSA-N
DG60197	"1-Methyl-20-oxapentacyclo[14.3.1.02,15.04,13.06,11]icosa-4,6,8,10,12-pentaene-3,14,17-trione"	406702	NSC724967; NSC-724967	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724967	.	.	.	.	320.3	C20H16O4	60.4	625	2.3	24	0	4	0	"InChI=1S/C20H16O4/c1-20-7-6-14(21)19(24-20)15-16(20)18(23)13-9-11-5-3-2-4-10(11)8-12(13)17(15)22/h2-5,8-9,15-16,19H,6-7H2,1H3"	CC12CCC(=O)C(O1)C3C2C(=O)C4=CC5=CC=CC=C5C=C4C3=O	CPKJQMAWBKOKKC-UHFFFAOYSA-N
DG60198	"1-Methyl-24-oxahexacyclo[18.3.1.02,19.04,17.05,14.08,13]tetracosa-4(17),5(14),6,8,10,12,15-heptaene-3,18,21-trione"	406703	NSC724968; NSC-724968	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724968	.	.	.	.	370.4	C24H18O4	60.4	743	3.5	28	0	4	0	"InChI=1S/C24H18O4/c1-24-11-10-17(25)23(28-24)19-20(24)22(27)18-15-7-6-12-4-2-3-5-13(12)14(15)8-9-16(18)21(19)26/h2-9,19-20,23H,10-11H2,1H3"	CC12CCC(=O)C(O1)C3C2C(=O)C4=C(C3=O)C=CC5=C4C=CC6=CC=CC=C65	QGTJSEGVNXFZKB-UHFFFAOYSA-N
DG60199	NSC724970	406705	"1-Methylspiro[23-oxahexacyclo[18.2.1.02,19.04,17.05,14.08,13]tricosa-4(17),5(14),6,8,10,12,15-heptaene-22,1'-cyclobutane]-3,18,21-trione; NSC724970; NSC-724970"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724970	.	.	.	.	396.4	C26H20O4	60.4	842	4	30	0	4	0	"InChI=1S/C26H20O4/c1-25-20-19(23(30-25)24(29)26(25)11-4-12-26)21(27)17-10-9-15-14-6-3-2-5-13(14)7-8-16(15)18(17)22(20)28/h2-3,5-10,19-20,23H,4,11-12H2,1H3"	CC12C3C(C(O1)C(=O)C24CCC4)C(=O)C5=C(C3=O)C6=C(C=C5)C7=CC=CC=C7C=C6	UTMAKJGGEQXXGY-UHFFFAOYSA-N
DG60200	"5,8-Dihydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclobutane]-3,10,13-trione"	406706	NSC724971; NSC-724971	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724971	.	.	.	.	328.3	C18H16O6	101	666	1.9	24	2	6	0	"InChI=1S/C18H16O6/c1-17-12-11(15(24-17)16(23)18(17)5-2-6-18)13(21)9-7(19)3-4-8(20)10(9)14(12)22/h3-4,11-12,15,19-20H,2,5-6H2,1H3"	CC12C3C(C(O1)C(=O)C24CCC4)C(=O)C5=C(C=CC(=C5C3=O)O)O	WICIIKBEJYOPSB-UHFFFAOYSA-N
DG60201	"1-Methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione"	406710	"NSC724975; NSC-724975; 1,4,4a,9a-Tetrahydro-1-methyl-1,4-epoxyspiro[anthracene-2(3H),1'-cyclopropane]-3,9,10-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724975	.	.	.	.	282.29	C17H14O4	60.4	590	1	21	0	4	0	"InChI=1S/C17H14O4/c1-16-11-10(14(21-16)15(20)17(16)6-7-17)12(18)8-4-2-3-5-9(8)13(11)19/h2-5,10-11,14H,6-7H2,1H3"	CC12C3C(C(O1)C(=O)C24CC4)C(=O)C5=CC=CC=C5C3=O	PBZGMQZVRDSMKG-UHFFFAOYSA-N
DG60202	"2'-Ethenyl-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione"	406711	NSC724976; NSC-724976	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724976	.	.	.	.	308.3	C19H16O4	60.4	666	1.5	23	0	4	1	"InChI=1S/C19H16O4/c1-3-9-8-19(9)17(22)16-12-13(18(19,2)23-16)15(21)11-7-5-4-6-10(11)14(12)20/h3-7,9,12-13,16H,1,8H2,2H3"	CC12C3C(C(O1)C(=O)C24CC4C=C)C(=O)C5=CC=CC=C5C3=O	HJKVVGAAPLEUIP-UHFFFAOYSA-N
DG60203	NSC724979	406714	"2'-Ethenyl-5,8-dihydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione; NSC724979; NSC-724979"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724979	.	.	.	.	340.3	C19H16O6	101	729	1.9	25	2	6	1	"InChI=1S/C19H16O6/c1-3-7-6-19(7)17(24)16-12-13(18(19,2)25-16)15(23)11-9(21)5-4-8(20)10(11)14(12)22/h3-5,7,12-13,16,20-21H,1,6H2,2H3"	CC12C3C(C(O1)C(=O)C24CC4C=C)C(=O)C5=C(C=CC(=C5C3=O)O)O	AGZPMIRMMRFCSQ-UHFFFAOYSA-N
DG60204	"20,20-Dimethyl-19-oxahexacyclo[10.6.1.114,17.01,14.02,11.04,9]icosa-4,6,8-triene-3,10,13-trione"	406717	NSC724982; NSC-724982	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724982	.	.	.	.	336.4	C21H20O4	60.4	738	2.4	25	0	4	0	"InChI=1S/C21H20O4/c1-19(2)10-7-8-20(19)18(24)17-13-14(21(20,9-10)25-17)16(23)12-6-4-3-5-11(12)15(13)22/h3-6,10,13-14,17H,7-9H2,1-2H3"	CC1(C2CCC13C(=O)C4C5C(C3(C2)O4)C(=O)C6=CC=CC=C6C5=O)C	MJYMIWDYXRHICT-UHFFFAOYSA-N
DG60205	"24,24-Dimethyl-23-oxaheptacyclo[14.6.1.118,21.01,18.02,15.04,13.06,11]tetracosa-4,6,8,10,12-pentaene-3,14,17-trione"	406718	NSC724983; NSC-724983	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724983	.	.	.	.	386.4	C25H22O4	60.4	859	3.6	29	0	4	0	"InChI=1S/C25H22O4/c1-23(2)14-7-8-24(23)22(28)21-17-18(25(24,11-14)29-21)20(27)16-10-13-6-4-3-5-12(13)9-15(16)19(17)26/h3-6,9-10,14,17-18,21H,7-8,11H2,1-2H3"	CC1(C2CCC13C(=O)C4C5C(C3(C2)O4)C(=O)C6=CC7=CC=CC=C7C=C6C5=O)C	LUKSTSSLQKQBOQ-UHFFFAOYSA-N
DG60206	NSC724984	406719	"28,28-Dimethyl-27-oxaoctacyclo[18.6.1.122,25.01,22.02,19.04,17.05,14.08,13]octacosa-4(17),5(14),6,8,10,12,15-heptaene-3,18,21-trione; NSC724984; NSC-724984"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724984	.	.	.	.	436.5	C29H24O4	60.4	982	4.9	33	0	4	0	"InChI=1S/C29H24O4/c1-27(2)15-11-12-28(27)26(32)25-21-22(29(28,13-15)33-25)24(31)20-18-8-7-14-5-3-4-6-16(14)17(18)9-10-19(20)23(21)30/h3-10,15,21-22,25H,11-13H2,1-2H3"	CC1(C2CCC13C(=O)C4C5C(C3(C2)O4)C(=O)C6=C(C5=O)C=CC7=C6C=CC8=CC=CC=C87)C	CIXNNOOGDHMPDB-UHFFFAOYSA-N
DG60207	H-DL-Ala-DL-Val-DL-Pro-DL-xiIle-NH2.TFA	406741	NSC725021; NSC-725021	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725021	.	.	.	.	511.5	C21H36F3N5O6	185	678	.	35	5	10	9	"InChI=1S/C19H35N5O4.C2HF3O2/c1-6-11(4)15(16(21)25)23-18(27)13-8-7-9-24(13)19(28)14(10(2)3)22-17(26)12(5)20;3-2(4,5)1(6)7/h10-15H,6-9,20H2,1-5H3,(H2,21,25)(H,22,26)(H,23,27);(H,6,7)"	CCC(C)C(C(=O)N)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(C)N.C(=O)(C(F)(F)F)O	QFCLXZMMMWAIDT-UHFFFAOYSA-N
DG60208	"5-[1-(4-chlorophenyl)-4-hydroxy-pyrazol-3-yl]-3H-1,3,4-oxadiazol-2-one"	406746	"NSC725026; NSC-725026; 5-[1-(4-chlorophenyl)-4-hydroxy-pyrazol-3-yl]-3H-1,3,4-oxadiazol-2-one; 5-(1-(4-Chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl)-1,3,4-oxadiazolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725026	.	.	.	.	278.65	C11H7ClN4O3	88.7	397	2	19	2	5	2	"InChI=1S/C11H7ClN4O3/c12-6-1-3-7(4-2-6)16-5-8(17)9(15-16)10-13-14-11(18)19-10/h1-5,17H,(H,14,18)"	C1=CC(=CC=C1N2C=C(C(=N2)C3=NNC(=O)O3)O)Cl	DBMMPJBBLWSENN-UHFFFAOYSA-N
DG60209	1-(3-Fluoro-phenyl)-4-phenyl-1H-pyrimidine-2-thione	406781	NSC725066; ZINC5741181; AKOS024377651; MCULE-7227729041; NSC-725066; 1-(3-Fluoro-phenyl)-4-phenyl-1H-pyrimidine-2-thione	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725066	.	.	.	.	282.3	C16H11FN2S	47.7	426	3.7	20	0	2	2	InChI=1S/C16H11FN2S/c17-13-7-4-8-14(11-13)19-10-9-15(18-16(19)20)12-5-2-1-3-6-12/h1-11H	C1=CC=C(C=C1)C2=NC(=S)N(C=C2)C3=CC(=CC=C3)F	SMEJEKWUYLHTPA-UHFFFAOYSA-N
DG60210	5-chloro-3-(1-phenyl-1H-tetraazol-5-yl)-1H-indole	406791	"5-chloro-3-(1-phenyl-1H-tetraazol-5-yl)-1H-indole; MLS000546056; 5-Chloro-3-(1-phenyl-1H-tetrazol-5-yl)-1H-indole; SMR000163442; NSC725076; CHEMBL1399844; BDBM41055; cid_6102040; (3Z)-5-chloro-3-(1-phenyl-2H-tetrazol-5-ylidene)indole; HMS2388I03; ZINC18152069; AKOS024374161; MCULE-5080720449; NSC-725076; AG-401/11435623; (3Z)-5-chloranyl-3-(1-phenyl-2H-1,2,3,4-tetrazol-5-ylidene)indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725076	.	.	.	.	295.72	C15H10ClN5	59.4	362	3.6	21	1	3	2	"InChI=1S/C15H10ClN5/c16-10-6-7-14-12(8-10)13(9-17-14)15-18-19-20-21(15)11-4-2-1-3-5-11/h1-9,17H"	C1=CC=C(C=C1)N2C(=NN=N2)C3=CNC4=C3C=C(C=C4)Cl	PXIVFERFHLBIGX-UHFFFAOYSA-N
DG60211	"14-Thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,4,7,9,12,15-hexaene-3,6-dione"	406815	NSC725107; CHEMBL362980; NSC-725107	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725107	.	.	.	.	255.25	C12H5N3O2S	92.6	453	2.1	18	0	5	0	InChI=1S/C12H5N3O2S/c16-7-1-2-8(17)11-9(7)10-6(5-13-11)15-3-4-18-12(15)14-10/h1-5H	C1=CC(=O)C2=NC=C3C(=C2C1=O)N=C4N3C=CS4	IIQCMJOPNYFMFY-UHFFFAOYSA-N
DG60212	"4,5-Dimethoxy-14-thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene"	406818	NSC725109; CHEMBL192597; NSC-725109	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725109	.	.	.	.	285.32	C14H11N3O2S	76.9	372	3.5	20	0	5	2	"InChI=1S/C14H11N3O2S/c1-18-11-5-8-9(6-12(11)19-2)15-7-10-13(8)16-14-17(10)3-4-20-14/h3-7H,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C=N2)N4C=CSC4=N3)OC	XSLXTAYOTABXIR-UHFFFAOYSA-N
DG60213	"3,4-dihydroxy-2,2-dimethyl-5-methylidene-7-(2-methylpropyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one"	406835	NSC725126; NSC-725126	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725126	.	.	.	.	290.4	C18H26O3	57.5	549	2.1	21	2	3	2	"InChI=1S/C18H26O3/c1-9(2)8-11-12-13(16(21)17(4,5)15(12)20)14(19)10(3)18(11)6-7-18/h9,13-14,16,19,21H,3,6-8H2,1-2,4-5H3"	CC(C)CC1=C2C(C(C(=C)C13CC3)O)C(C(C2=O)(C)C)O	HQWHTICQYSVZNN-UHFFFAOYSA-N
DG60214	"N-(3-chloro-4-fluorophenyl)-5-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine"	406887	NSC725206; NSC-725206	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725206	.	.	.	.	391.6	C15H7Cl3F2N2S	53.2	409	6.6	23	1	5	3	"InChI=1S/C15H7Cl3F2N2S/c16-9-5-11(18)13(20)4-8(9)14-6-21-15(23-14)22-7-1-2-12(19)10(17)3-7/h1-6H,(H,21,22)"	C1=CC(=C(C=C1NC2=NC=C(S2)C3=CC(=C(C=C3Cl)Cl)F)Cl)F	MMMKYGFBMBKYBO-UHFFFAOYSA-N
DG60215	Methyl 2-[[[4-[(6-aminopurin-9-yl)methyl]phenyl]methoxy-phenoxyphosphoryl]amino]propanoate	406930	NSC725260; NSC-725260	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725260	.	.	.	.	496.5	C23H25N6O5P	144	733	2.6	35	2	10	11	"InChI=1S/C23H25N6O5P/c1-16(23(30)32-2)28-35(31,34-19-6-4-3-5-7-19)33-13-18-10-8-17(9-11-18)12-29-15-27-20-21(24)25-14-26-22(20)29/h3-11,14-16H,12-13H2,1-2H3,(H,28,31)(H2,24,25,26)"	CC(C(=O)OC)NP(=O)(OCC1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)N)OC4=CC=CC=C4	XTINJMMWLJQYDK-UHFFFAOYSA-N
DG60216	"1,3,5-Triazine-2,4-diamine, 1-(3-chlorophenyl)-1,6-dihydro-6,6-dimethyl-"	407233	"X 48; 13351-02-5; 1-(3-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine; UNII-47GU3ESV2R; 47GU3ESV2R; CHEMBL7130; D 69; 1,3,5-Triazine-2,4-diamine, 1-(3-chlorophenyl)-1,6-dihydro-6,6-dimethyl-; 1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine; NSC3080; NSC 3080; SCHEMBL670885; DTXSID70158148; ZINC1666576; BDBM50090054; AKOS016874979; MCULE-3762120064; NCI60_002634; Z56760125; 2,4-Diamino-6,6-dimethyl-5,6-dihydro-5-(3-chlorophenyl)-1,3,5-triazine; 1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3080	.	.	.	.	251.71	C11H14ClN5	80	363	0.7	17	2	1	1	"InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16)"	CC1(N=C(N=C(N1C2=CC(=CC=C2)Cl)N)N)C	AXIUXECRTOGILY-UHFFFAOYSA-N
DG60217	"1,3,5-Triazine-2,4-diamine, 1-(3-bromophenyl)-1,6-dihydro-6,6-dimethyl-"	407235	"X 49; 24849-96-5; D 91; CHEMBL268088; 1,3,5-Triazine-2,4-diamine, 1-(3-bromophenyl)-1,6-dihydro-6,6-dimethyl-; NSC3082; NSC 3082; 1-(3-bromophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine; SCHEMBL14577798; DTXSID60179549; ZINC1666578; BDBM50405066; 4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-[3-bromophenyl]-1,3,5-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3082	.	.	.	.	296.17	C11H14BrN5	80	363	0.7	17	2	1	1	"InChI=1S/C11H14BrN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16)"	CC1(N=C(N=C(N1C2=CC(=CC=C2)Br)N)N)C	KOOABGSEBLNWKJ-UHFFFAOYSA-N
DG60218	Chloro-(5-chlorothiophen-2-yl)mercury	407288	NSC3840; NSC-3840	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3840	.	.	.	.	353.62	C4H2Cl2HgS	28.2	80.4	.	8	0	1	0	InChI=1S/C4H2ClS.ClH.Hg/c5-4-2-1-3-6-4;;/h1-2H;1H;/q;;+1/p-1	C1=C(SC(=C1)[Hg]Cl)Cl	ZZBFMMAHFSAXRH-UHFFFAOYSA-M
DG60219	CID 407450	407450	"NSC5550; 4366-31-8; DTXSID30328183; NCI5550; NSC-5550; CCG-37719; NCGC00013058; NCGC00096182-01; 4-((4-(dimethyl-5-azanylidene)-2,5-cyclohexadien-1-ylidene)(phenyl)methyl)-N,N-dimethylaniline diethanedioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5550	.	.	.	.	509.5	C27H29N2O8+	155	588	.	37	4	9	5	"InChI=1S/C23H25N2.2C2H2O4/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;2*3-1(4)2(5)6/h5-17H,1-4H3;2*(H,3,4)(H,5,6)/q+1;;"	CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O	ISCIXAIEDTZJCQ-UHFFFAOYSA-N
DG60220	"([1,1'-Biphenyl]-2-yl)(phenyl)methanone"	407452	"1985-32-6; phenylbenzophenone; 2-benzoylbiphenyl; NSC5639; SCHEMBL472751; DTXSID90328184; NSC-5639; ZINC1687082; [1,1'-Biphenyl]-2-yl(phenyl)methanone; ([1,1'-Biphenyl]-2-yl)(phenyl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5639	.	.	.	.	258.3	C19H14O	17.1	310	4.9	20	0	1	3	InChI=1S/C19H14O/c20-19(16-11-5-2-6-12-16)18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H	C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C3=CC=CC=C3	ZBVQEUUTPTVMHY-UHFFFAOYSA-N
DG60221	"4-[[4-(dimethylamino)phenyl]methyl]-6-[(6-methoxyquinolin-8-yl)diazenyl]-1-N,1-N-dimethylbenzene-1,3-diamine"	407487	NSC5920; NSC-5920; ZINC18058825; ZINC100680705	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5920	.	.	.	.	454.6	C27H30N6O	79.3	649	5.4	34	1	7	7	"InChI=1S/C27H30N6O/c1-32(2)21-10-8-18(9-11-21)13-20-15-24(26(33(3)4)17-23(20)28)30-31-25-16-22(34-5)14-19-7-6-12-29-27(19)25/h6-12,14-17H,13,28H2,1-5H3"	CN(C)C1=CC=C(C=C1)CC2=CC(=C(C=C2N)N(C)C)N=NC3=C4C(=CC(=C3)OC)C=CC=N4	BTDQKVAGLWNJLK-UHFFFAOYSA-N
DG60222	Digilanide B	407583	Lanatoside B; MLS002701897; Digilanide B; 17575-21-2; NSC7535; NSC-7535; SMR001565482; DB-044234; FT-0630439	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7535	.	.	.	.	985.1	C49H76O20	288	1870	0.5	69	8	20	12	"InChI=1S/C49H76O20/c1-21-43(67-37-16-31(53)44(22(2)62-37)68-38-17-33(64-24(4)51)45(23(3)63-38)69-46-42(58)41(57)40(56)34(19-50)66-46)30(52)15-36(61-21)65-27-9-11-47(5)26(14-27)7-8-29-28(47)10-12-48(6)39(25-13-35(55)60-20-25)32(54)18-49(29,48)59/h13,21-23,26-34,36-46,50,52-54,56-59H,7-12,14-20H2,1-6H3"	CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)O)O)C)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O	XVAPNQFQPDAROQ-UHFFFAOYSA-N
DG60223	Mauve	407617	"6373-22-4; Mauve; Aniline violet (component of); DTXSID10980182; NSC7801; NSC-7801; ZINC4365841; C.I. 50245; Phenazinium,8-dimethyl-5-p-tolyl-, sulfate (2:1); 3-Amino-7-anilino-2,8-dimethyl-5-(4-methylphenyl)phenazin-5-ium; Phenazinium,8-dimethyl-5-(4-methylphenyl)-7-(phenylamino)-, sulfate (2:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7801	.	.	.	.	405.5	C27H25N4+	54.8	582	6.4	31	2	3	3	"InChI=1S/C27H24N4/c1-17-9-11-21(12-10-17)31-26-15-22(28)18(2)13-24(26)30-25-14-19(3)23(16-27(25)31)29-20-7-5-4-6-8-20/h4-16H,1-3H3,(H2,28,29)/p+1"	CC1=CC=C(C=C1)[N+]2=C3C=C(C(=CC3=NC4=C2C=C(C(=C4)C)N)C)NC5=CC=CC=C5	GZIROVCEVALULC-UHFFFAOYSA-O
DG60224	Janus Red B	407803	"Janus Red B; C.I. 26115; CHEMBL2006539; DTXSID90949217; NSC9609; NSC-9609; ZINC18057365; Benzenaminium,N,N-trimethyl-, chloride; 2-{2-Methyl-4-[2-(2-oxonaphthalen-1(2H)-ylidene)hydrazin-1-ium-1-ylidene]cyclohexa-2,5-dien-1-ylidene}-1-[3-(trimethylazaniumyl)phenyl]hydrazin-1-ide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9609	.	.	.	.	424.5	C26H26N5O+	69.7	659	6.6	32	1	5	5	"InChI=1S/C26H25N5O/c1-18-16-21(28-30-26-23-11-6-5-8-19(23)12-15-25(26)32)13-14-24(18)29-27-20-9-7-10-22(17-20)31(2,3)4/h5-17H,1-4H3/p+1"	CC1=C(C=CC(=C1)N=NC2=C(C=CC3=CC=CC=C32)O)N=NC4=CC(=CC=C4)[N+](C)(C)C	FZIVLAIWGJAHRT-UHFFFAOYSA-O
DG60225	"N,N'-bis(6-methoxy-2-methylquinolin-4-yl)nonane-1,9-diamine"	407885	"NSC10010; N,N'-bis(6-methoxy-2-methylquinolin-4-yl)nonane-1,9-diamine; 6286-09-5; NCIMech_000142; Neuro_000009; CHEMBL2008670; SCHEMBL19407604; ZINC4416565; CCG-35445; NSC 10010; NCI60_000005; N,N'-bis(6-methoxy-2-methyl-4-quinolyl)nonane-1,9-diamine; N(1),N(9)-Bis(6-methoxy-2-methyl-4-quinolinyl)-1,9-nonanediamine; N~1~,N~9~-Bis(6-methoxy-2-methyl-4-quinolinyl)-1,9-nonanediamine; N,N'-bis(6-methoxy-2-methylquinolin-4-yl)nonane-1,9-diamine;hydrochloride; N,N-Bis(2-methyl-6-methoxy-4-quinaldyl)-1,9-diamino- nonane Dihydrochloride Hydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10010	.	.	.	.	500.7	C31H40N4O2	68.3	584	7.9	37	2	6	14	"InChI=1S/C31H40N4O2/c1-22-18-30(26-20-24(36-3)12-14-28(26)34-22)32-16-10-8-6-5-7-9-11-17-33-31-19-23(2)35-29-15-13-25(37-4)21-27(29)31/h12-15,18-21H,5-11,16-17H2,1-4H3,(H,32,34)(H,33,35)"	CC1=CC(=C2C=C(C=CC2=N1)OC)NCCCCCCCCCNC3=C4C=C(C=CC4=NC(=C3)C)OC	SGXXUOLJJPFQKG-UHFFFAOYSA-N
DG60226	"N,N'-Bis(4-amino-2-methylquinolin-6-yl)decanediamide"	408239	"CHEMBL86857; NSC12150; N,N'-Bis(4-amino-2-methylquinolin-6-yl)decanediamide; SCHEMBL8356376; ZINC4428370; BDBM50229901; NCI60_000502; N,N'-Bis(4-amino-2-methyl-6-quinolinyl)sebacamide; N,N'-bis(4-amino-2-methyl-6-quinolyl)decanediamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12150	.	.	.	.	512.6	C30H36N6O2	136	703	4.7	38	4	6	11	"InChI=1S/C30H36N6O2/c1-19-15-25(31)23-17-21(11-13-27(23)33-19)35-29(37)9-7-5-3-4-6-8-10-30(38)36-22-12-14-28-24(18-22)26(32)16-20(2)34-28/h11-18H,3-10H2,1-2H3,(H2,31,33)(H2,32,34)(H,35,37)(H,36,38)"	CC1=CC(=C2C=C(C=CC2=N1)NC(=O)CCCCCCCCC(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N)N	WEZNVJMYBLKULU-UHFFFAOYSA-N
DG60227	3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid	408250	NSC12181; NSC-12181; 6640-02-4; NCIStruc1_001212; NCIStruc2_001091; CHEMBL1741459; DTXSID00328231; NCI12181; ZINC3953842; CCG-37283; NCGC00013132; NCGC00013132-02; NCGC00096253-01; 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12181	.	.	.	.	458.5	C30H18O5	83.8	954	5.3	35	2	5	3	"InChI=1S/C30H18O5/c31-19-10-12-22-25(15-19)35-26-16-20(32)11-13-23(26)28(22)24-14-18-8-4-5-9-21(18)27(29(24)30(33)34)17-6-2-1-3-7-17/h1-16,31H,(H,33,34)"	C1=CC=C(C=C1)C2=C(C(=CC3=CC=CC=C32)C4=C5C=CC(=O)C=C5OC6=C4C=CC(=C6)O)C(=O)O	BCEZAFKVPCTVIX-UHFFFAOYSA-N
DG60228	"N,N-dihexylquinoline-4-carboximidamide"	408791	NSC15812; ZINC1733648; NSC-15812	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15812	.	.	.	.	339.5	C22H33N3	40	356	6.4	25	1	2	12	"InChI=1S/C22H33N3/c1-3-5-7-11-17-25(18-12-8-6-4-2)22(23)20-15-16-24-21-14-10-9-13-19(20)21/h9-10,13-16,23H,3-8,11-12,17-18H2,1-2H3"	CCCCCCN(CCCCCC)C(=N)C1=CC=NC2=CC=CC=C12	YISMMPSEZVTBAS-UHFFFAOYSA-N
DG60229	"Mercury, chloro(4-methoxyphenyl)-"	408835	"Mercury, chloro(4-methoxyphenyl)-; 3009-79-8; p-Anisylmercuric chloride; Mercury, chloro(p-methoxyphenyl)-; p-Anisylchloromercury; p-(Chloromercuri)anisole; 4-methoxyphenylmercury chloride; chloro(4-methoxyphenyl)mercury; p-Methoxyphenylmercuric chloride; SCHEMBL11600188; DTXSID20328278; NSC16239; NSC-16239; MERCURY,CHLORO(4-METHOXYPHENYL)-; DS-011344"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	16239	.	.	.	.	343.17	C7H7ClHgO	9.2	91.6	.	10	0	1	1	"InChI=1S/C7H7O.ClH.Hg/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q;;+1/p-1"	COC1=CC=C(C=C1)[Hg]Cl	ODCJBHXFAFFNEW-UHFFFAOYSA-M
DG60230	2-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine	409177	2-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine; NSC19147; 5444-72-4; NSC-19147; NCIStruc1_001009; NCIStruc2_001115; CHEMBL1358487; ZINC1562388; CCG-37158; NCGC00013257; NCGC00013257-02; NCGC00096376-01; NCI60_001608	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19147	.	.	.	.	349.8	C19H16ClN5	55.6	411	4.9	25	1	4	5	"InChI=1S/C19H16ClN5/c20-19-23-17(21-12-11-14-7-3-1-4-8-14)16-18(24-19)25(13-22-16)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,21,23,24)"	C1=CC=C(C=C1)CCNC2=C3C(=NC(=N2)Cl)N(C=N3)C4=CC=CC=C4	PQLMHGORCZEQRE-UHFFFAOYSA-N
DG60231	"N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine"	409805	"Nsc 23766; NSC-23766; 733767-34-5; NSC23766; N6-(2-((5-(diethylamino)pentan-2-yl)amino)-6-methylpyrimidin-4-yl)-2-methylquinoline-4,6-diamine; N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine; 6-N-[2-[5-(diethylamino)pentan-2-ylamino]-6-methylpyrimidin-4-yl]-2-methylquinoline-4,6-diamine; N6-[2-[[4-(diethylamino)-1-methylbutyl]amino]-6-methyl-4-pyrimidinyl]-2-methyl-4,6-quinolinediamine; NSC-23766 free base; NSC 23766 (hydrochloride); CHEMBL257119; SCHEMBL2639296; CHEBI:91883; GTPL11057; DTXSID00880021; CHEBI:144984; HMS3742G11; BCP06479; EX-A2403; NSC 23766 TETRAHYDROCHLORIDE; CS-3234; SB19475; SMP2_000232; NCGC00092318-02; NCGC00092318-04; HY-15723; LS-15068; FT-0602371; EC-000.2419; BRD-A80213327-305-01-8; Q27163680; N'-[2-(5-diethylaminopentan-2-ylamino)-6-methylpyrimidin-4-yl]-2-methylquinoline-4,6-diamine; N(6)-(2-{[5-(diethylamino)pentan-2-yl]amino}-6-methylpyrimidin-4-yl)-2-methylquinoline-4,6-diamine; N6-(2-(5-(diethylamino)pentan-2-ylamino)-6-methylpyrimidin-4-yl)-2-methylquinoline-4,6-diamine; N6-[2-[[4-(diethylamino)-1-methyl-butyl]amino]-6-methyl-pyrimidin-4-yl]-2-methyl-quinoline-4,6-diamine; N6-[2-[[4-(Diethylamino)-1-methylbutyl]amino]-6-methyl-4- pyrimidinyl]-2-methyl-4,6-quinolinediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23766	.	.	.	.	421.6	C24H35N7	92	514	4.7	31	3	7	10	"InChI=1S/C24H35N7/c1-6-31(7-2)12-8-9-16(3)27-24-28-18(5)14-23(30-24)29-19-10-11-22-20(15-19)21(25)13-17(4)26-22/h10-11,13-16H,6-9,12H2,1-5H3,(H2,25,26)(H2,27,28,29,30)"	CCN(CC)CCCC(C)NC1=NC(=CC(=N1)NC2=CC3=C(C=C(N=C3C=C2)C)N)C	DEFBCZWQLILOJF-UHFFFAOYSA-N
DG60232	"1,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2,3-dicarbonitrile"	410191	"5470-98-4; Dicyanochinizarin; NSC27034; 2,3-Quinizarindicarbonitrile; SCHEMBL9618328; DTXSID10328429; ZINC4538739; NSC-27034; 1,4-DIHYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2,3-DICARBONITRILE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	27034	.	.	.	.	290.23	C16H6N2O4	122	558	2.7	22	2	6	0	"InChI=1S/C16H6N2O4/c17-5-9-10(6-18)16(22)12-11(15(9)21)13(19)7-3-1-2-4-8(7)14(12)20/h1-4,21-22H"	C1=CC=C2C(=C1)C(=O)C3=C(C(=C(C(=C3C2=O)O)C#N)C#N)O	XZPHNGYVABZCEK-UHFFFAOYSA-N
DG60233	2-(Dimethylaminomethyl)-1-(2-nitrophenyl)prop-2-en-1-one	411522	NSC34821; CHEMBL2008655; 2-(dimethylaminomethyl)-1-(2-nitrophenyl)prop-2-en-1-one; ZINC73279722; NCI60_003093; 2-((Dimethylamino)methyl)-1-(2-(hydroxy(oxido)amino)phenyl)-2-propen-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34821	.	.	.	.	234.25	C12H14N2O3	66.1	320	1.7	17	0	4	4	"InChI=1S/C12H14N2O3/c1-9(8-13(2)3)12(15)10-6-4-5-7-11(10)14(16)17/h4-7H,1,8H2,2-3H3"	CN(C)CC(=C)C(=O)C1=CC=CC=C1[N+](=O)[O-]	IOPCQMZVGSFLSH-UHFFFAOYSA-N
DG60234	"1-Phenyl-2-(4-phenyl-1,45-oxazinan-4-yl)ethanone"	411628	"NSC35427; NSC-35427; 7401-21-0; NCGC00013405; NCIStruc1_001104; NCIStruc2_001324; SCHEMBL9597152; CHEMBL1487003; DTXSID90328543; NCI35427; ZINC1667626; CCG-36885; NCGC00013405-02; NCGC00013405-03; NCGC00013405-04; NCGC00096520-01; 1-phenyl-2-(4-phenyl-1,45-oxazinan-4-yl)ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35427	.	.	.	.	282.4	C18H20NO2+	26.3	337	2.9	21	0	2	4	"InChI=1S/C18H20NO2/c20-18(16-7-3-1-4-8-16)15-19(11-13-21-14-12-19)17-9-5-2-6-10-17/h1-10H,11-15H2/q+1"	C1COCC[N+]1(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3	YCVTUSIXNJAXKA-UHFFFAOYSA-N
DG60235	"2,5-Bis(chloromercuri)furan"	411698	"2,5-Bis(chloromercuri)furan; 6270-99-1; NSC35563; Mercury,5-furandiyldi-; chloro-[5-(chloromercurio)furan-2-yl]mercury; Mercury,5-furandiylbis[chloro-; DTXSID50328549; NSC-35563"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35563	.	.	.	.	538.14	C4H2Cl2Hg2O	13.1	82.6	.	9	0	1	0	InChI=1S/C4H2O.2ClH.2Hg/c1-2-4-5-3-1;;;;/h1-2H;2*1H;;/q;;;2*+1/p-2	C1=C(OC(=C1)[Hg]Cl)[Hg]Cl	BVMMYNWZWDKHIS-UHFFFAOYSA-L
DG60236	Bristol A-649	412232	"Bristol A-649; Olivomitsin; Bristol A649; Antibiotic A-649-22; Antibiotic from Streptomycete; [6-[6-[6-[[6-[4-acetyloxy-5-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-8,9-dihydroxy-1-oxo-3,4-dihydro-2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]oxy-3-hydroxy-2-methyloxan-4-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-methylpropanoate; 102647-16-5; Actinomyces olivoreticuli, Strain No. 16749; C 1228; NSC38270; Olivomycin D,6-dideoxy-3-C-methyl-4-O-(2-methyl-1-oxopropyl)-.alpha.-L-arabino-hexopyranosyl]-; Neuro_000019; CHEMBL386415; NSC-38270"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38270	.	.	.	.	1197.3	C58H84O26	359	2210	3	84	8	26	21	"InChI=1S/C58H84O26/c1-22(2)57(69)84-56-28(8)77-43(21-58(56,10)70)81-37-18-41(73-24(4)48(37)65)80-36-19-42(74-25(5)47(36)64)83-55-33(54(72-12)51(68)46(63)23(3)59)15-31-13-30-14-32(16-34(61)44(30)49(66)45(31)50(55)67)79-40-20-38(78-29(9)60)53(27(7)76-40)82-39-17-35(62)52(71-11)26(6)75-39/h13-14,16,22-28,33,35-43,46-48,52-56,59,61-66,70H,15,17-21H2,1-12H3"	CC1C(C(CC(O1)OC2C(CC3=CC4=CC(=CC(=C4C(=C3C2=O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC)O)OC(=O)C)C(C(=O)C(C(C)O)O)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC(=O)C(C)C)(C)O)O	WURKLEUBADSHTC-UHFFFAOYSA-N
DG60237	"Cadmium,O)dichloro-"	412646	"NSC40693; Cadmium,O)dichloro-; NSC-40693; 1-Propanol, dichlorocadmium(II) complex"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	40693	.	.	.	.	359.57	C8H20CdCl2N2O2-2	42.5	124	.	15	4	4	0	"InChI=1S/2C4H10NO.Cd.2ClH/c2*1-4(2,5)3-6;;;/h2*5-6H,3H2,1-2H3;;2*1H/q2*-1;+2;;/p-2"	CC(C)(CO)[NH-].CC(C)(CO)[NH-].Cl[Cd]Cl	VUSVRGODDTYFNN-UHFFFAOYSA-L
DG60238	"2-[4-Anilino-3-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]anilino]-3-chloronaphthalene-1,4-dione"	413256	"7153-72-2; NSC45739; DTXSID60328691; ZINC1677549; NSC-45739; 2,2'-[(4-Anilino-1,3-phenylene)diazanediyl]bis(3-chloronaphthalene-1,4-dione)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45739	.	.	.	.	580.4	C32H19Cl2N3O4	104	1160	7.7	41	3	7	6	"InChI=1S/C32H19Cl2N3O4/c33-25-27(31(40)21-12-6-4-10-19(21)29(25)38)36-18-14-15-23(35-17-8-2-1-3-9-17)24(16-18)37-28-26(34)30(39)20-11-5-7-13-22(20)32(28)41/h1-16,35-37H"	C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C(=O)C4=CC=CC=C4C3=O)Cl)NC5=C(C(=O)C6=CC=CC=C6C5=O)Cl	JWSHRKNXFSJWEV-UHFFFAOYSA-N
DG60239	"1-Benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium"	413544	"NSC49460; NSC-49460; CHEMBL2007440; ZINC31924808; 1-benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydro-1H-15-imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	49460	.	.	.	.	279.4	C19H23N2+	12.4	351	3.2	21	0	1	5	"InChI=1S/C19H23N2/c1-17-20-13-15-21(17,16-19-10-6-3-7-11-19)14-12-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3/q+1"	CC1=NCC[N+]1(CCC2=CC=CC=C2)CC3=CC=CC=C3	DSCWRLBFIKKWFK-UHFFFAOYSA-N
DG60240	"1,6-Bis[bis(2-chloroethyl)amino]hexane-2,3,4,5-tetrol"	413604	"NSC50076; CHEMBL2008124; 1,6-bis[bis(2-chloroethyl)amino]hexane-2,3,4,5-tetrol; 1,6-Bis(bis(2-chloroethyl)amino)-1,6-dideoxyhexitol; D-Mannitol, {1,6-bis[bis(2-chloroethyl)amino]-1,6-dideoxy-,} dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50076	.	.	.	.	430.2	C14H28Cl4N2O4	87.4	268	0.2	24	4	6	15	"InChI=1S/C14H28Cl4N2O4/c15-1-5-19(6-2-16)9-11(21)13(23)14(24)12(22)10-20(7-3-17)8-4-18/h11-14,21-24H,1-10H2"	C(CCl)N(CCCl)CC(C(C(C(CN(CCCl)CCCl)O)O)O)O	KUNHEPCZGADDFE-UHFFFAOYSA-N
DG60241	2-Hydroxy-1-phenylethanesulfonic acid;phenylmethanesulfonic acid	413606	NSC50137; NSC-50137; CHEMBL1998526; phenylmethanesulfonic acid compound with 2-hydroxy-1-phenylethanesulfonic acid (1:1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50137	.	.	.	.	374.4	C15H18O7S2	146	432	.	24	3	7	5	"InChI=1S/C8H10O4S.C7H8O3S/c9-6-8(13(10,11)12)7-4-2-1-3-5-7;8-11(9,10)6-7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,10,11,12);1-5H,6H2,(H,8,9,10)"	C1=CC=C(C=C1)CS(=O)(=O)O.C1=CC=C(C=C1)C(CO)S(=O)(=O)O	SPWMGCSQEXNHTK-UHFFFAOYSA-N
DG60242	"2-Methyl-1-[(4-nitrophenyl)methyl]-3-phenyl-benzo[f]benzimidazol-3-ium-4,9-dione"	413848	"NSC52745; Neuro_000021; CHEMBL2008048; NCI60_004291; 2-methyl-1-[(4-nitrophenyl)methyl]-3-phenyl-benzo[f]benzimidazol-3-ium-4,9-dione; 3-(4-(Hydroxy(oxido)amino)benzyl)-2-methyl-1-phenyl-3H-1.lambda.~5~-naphtho[2,3-d]imidazole-4,9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	52745	.	.	.	.	424.4	C25H18N3O4+	88.8	738	5.2	32	0	4	3	"InChI=1S/C25H18N3O4/c1-16-26(15-17-11-13-19(14-12-17)28(31)32)22-23(27(16)18-7-3-2-4-8-18)25(30)21-10-6-5-9-20(21)24(22)29/h2-14H,15H2,1H3/q+1"	CC1=[N+](C2=C(N1C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)CC5=CC=C(C=C5)[N+](=O)[O-]	PQZLFXZXYYIYHR-UHFFFAOYSA-N
DG60243	"2, 3-Hydroxy-4-[[4-[[4-[4-[(2-hydroxy-3,6-disulfo-1-naphthyl)azo]benzamido]phenyl] thio]phenyl]azo]-, tetrasodium salt"	415011	"CHEMBL1975972; NSC65860; NSC-65860; ZINC263605001; 2, 3-hydroxy-4-[[4-[[4-[4- [(2-hydroxy-3,6-disulfo-1-naphthyl)azo]benzamido]phenyl] thio]phenyl]azo]-, tetrasodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	65860	.	.	.	.	966	C39H27N5O15S5	395	2140	6.3	64	7	20	12	"InChI=1S/C39H27N5O15S5/c45-37-33(63(54,55)56)19-22-17-29(61(48,49)50)13-15-31(22)35(37)43-41-25-3-1-21(2-4-25)39(47)40-24-5-9-27(10-6-24)60-28-11-7-26(8-12-28)42-44-36-32-16-14-30(62(51,52)53)18-23(32)20-34(38(36)46)64(57,58)59/h1-20,45-46H,(H,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)"	C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)N=NC4=C5C=CC(=CC5=CC(=C4O)S(=O)(=O)O)S(=O)(=O)O)N=NC6=C7C=CC(=CC7=CC(=C6O)S(=O)(=O)O)S(=O)(=O)O	PEIOJNXAKANCAD-UHFFFAOYSA-N
DG60244	CID 415267	415267	Zinc pyrithione; BCP13412; NSC68093	.	.	Investigative Drug(s)	Investigative	Small molecular drug	68093	.	.	.	.	317.7	C10H8N2O2S2Zn	52.9	183	.	17	0	4	0	"InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2"	C1=CC=[N+](C(=C1)[S-])[O-].C1=CC=[N+](C(=C1)[S-])[O-].[Zn+2]	OTPSWLRZXRHDNX-UHFFFAOYSA-L
DG60245	"5-[3-(Trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine"	415629	"NSC71669; MLS002701908; NSC 71669; NSC-71669; 1548-91-0; UNII-E9FC25LPB6; E9FC25LPB6; 5-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine; SMR001565492; 2,4-Pyrimidinediamine, 5-(3-(trifluoromethyl)phenyl)-6-((3-(trifluoromethyl)phenyl)methyl)-; 2,4-Pyrimidinediamine, 5-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-; NCIMech_000140; NCIStruc1_001368; NCIStruc2_001394; cid_415629; SCHEMBL8739389; CHEMBL1408604; BDBM95853; DTXSID80165722; NCI71669; ZINC1697163; CCG-35370; CCG-37219; NCGC00013790; NCGC00013790-02; NCGC00096900-01; [2-amino-6-[3-(trifluoromethyl)benzyl]-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amine; 6-(3-(trifluoromethyl)benzyl)-5-(3-(trifluoromethyl)phenyl)-2,4-pyrimidinediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71669	.	.	.	.	412.3	C19H14F6N4	77.8	540	5	29	2	10	3	"InChI=1S/C19H14F6N4/c20-18(21,22)12-5-1-3-10(7-12)8-14-15(16(26)29-17(27)28-14)11-4-2-6-13(9-11)19(23,24)25/h1-7,9H,8H2,(H4,26,27,28,29)"	C1=CC(=CC(=C1)C(F)(F)F)CC2=C(C(=NC(=N2)N)N)C3=CC(=CC=C3)C(F)(F)F	CQCYWCWYOWSXIW-UHFFFAOYSA-N
DG60246	NSC71948	415676	"2-[2-[4-(Dimethylamino)phenyl]-3-methyl-1,3-benzothiazol-3-ium-6-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium-7-sulfonic acid;2-[2-[2-[4-(dimethylamino)phenyl]-3-methyl-1,3-benzothiazol-3-ium-6-yl]-3-methyl-1,3-benzothiazol-3-ium-6-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium-7-sulfonic acid; NSC71948; CHEMBL2005864; KUC110468N; CCG-36179; NSC-71948"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71948	.	.	.	.	1171.6	C58H56N7O6S7+5	293	1960	.	78	2	13	9	"InChI=1S/C33H30N4O3S4.C25H24N3O3S3/c1-19-7-14-26-29(30(19)44(38,39)40)43-33(37(26)6)22-11-16-25-28(18-22)42-32(36(25)5)21-10-15-24-27(17-21)41-31(35(24)4)20-8-12-23(13-9-20)34(2)3;1-15-6-12-20-22(23(15)34(29,30)31)33-25(28(20)5)17-9-13-19-21(14-17)32-24(27(19)4)16-7-10-18(11-8-16)26(2)3/h7-18H,1-6H3;6-14H,1-5H3/q+2;+1/p+2"	CC1=C(C2=C(C=C1)[N+](=C(S2)C3=CC4=C(C=C3)[N+](=C(S4)C5=CC=C(C=C5)N(C)C)C)C)S(=O)(=O)O.CC1=C(C2=C(C=C1)[N+](=C(S2)C3=CC4=C(C=C3)[N+](=C(S4)C5=CC6=C(C=C5)[N+](=C(S6)C7=CC=C(C=C7)N(C)C)C)C)C)S(=O)(=O)O	OGBHHNJDJPQBLS-UHFFFAOYSA-P
DG60247	Chelocardin dodecyl sulfate	415844	"Chelocardin dodecyl sulfate; NSC73495; B 132742; CHELOCARDIN ,DODECYL SO4; CHEMBL1999735; Antibiotic from Nocardia sulphurea; Chelocardin, dodecyl sulfate (salt); NSC-73495; 2-acetyl-4-amino-3,10,11,12a-tetrahydroxy-6,9-dimethyl-4a,5-dihydro-4H-tetracene-1,12-dione; dodecyl hydrogen sulfate; Dodecyl hydrogen sulfate - 2-acetyl-4-amino-3,10,11,12a-tetrahydroxy-6,9-dimethyl-4a,12a-dihydrotetracene-1,12(4H,5H)-dione (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73495	.	.	.	.	677.8	C34H47NO11S	230	1080	.	47	6	12	13	"InChI=1S/C22H21NO7.C12H26O4S/c1-7-4-5-10-8(2)11-6-12-16(23)19(27)13(9(3)24)20(28)22(12,30)21(29)15(11)18(26)14(10)17(7)25;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h4-5,12,16,25-26,28,30H,6,23H2,1-3H3;2-12H2,1H3,(H,13,14,15)"	CCCCCCCCCCCCOS(=O)(=O)O.CC1=C(C2=C(C3=C(CC4C(C(=O)C(=C(C4(C3=O)O)O)C(=O)C)N)C(=C2C=C1)C)O)O	LCLUJNHUTNSQLT-UHFFFAOYSA-N
DG60248	4-Amino-1-benzylpiperidine	415852	"4-Amino-1-benzylpiperidine; 50541-93-0; 1-benzylpiperidin-4-amine; 1-Benzyl-4-aminopiperidine; 1-Benzyl-piperidin-4-ylamine; 1-(Phenylmethyl)-4-piperidinamine; 1-Benzyl-4-piperidylamine; 4-Piperidinamine, 1-(phenylmethyl)-; N-Benzyl-4-amino piperidine; 4-Amino-1-benzyl-piperidine; n-benzyl-4-aminopiperidine; 4-Amino-N-benzylpiperidine; MFCD00006504; 4-amino-1-benzyl piperidine; 1-benzylpiperidin-4-ylamine; 1-benzyl-4-amino piperidine; UNII-6QX28DE295; (1-benzylpiperidin-4-yl)amine; 6QX28DE295; 4-amino-1-n-benzylpiperidine; EINECS 256-620-9; benzylpiperidin-4-amine; 1-Benzyl-4-pyridinamine; 4-amino1-benzylpiperidine; ChemDiv2_003367; 4-amino-1-benzylpiperdine; 1-Benzyl-4-piperidinamine; 1-benzyl-4-piperidineamine; 1-benzylpiperidine-4-amine; 1-benzyl-4-piperidinylamine; 1-benzyl-piperidin-4-amine; n-(4-aminobenzyl)piperidine; 4-amino-N-benzyl piperidine; 1-benzyl 4-amino piperidine; 1-benzyl-4-amino-piperidine; 1-benzyl-piperidin-4-ylamin; 1-benzyl-piperidine-4-amine; 4- amino-1-benzylpiperidine; 4-amino-1-benzyl-piperadine; Oprea1_198193; phenylmethyl-4-piperidinamine; SCHEMBL42207; 1-(benzyl)-4-piperidinamine; phenylmethyl 4-aminopiperidine; 1-Benzyl-4-piperidinamine #; 1-benzyl-piperidin-4-yl-amine; CHEMBL366500; 1-phenylmethyl-4-piperidinamine; 4-amino-1-phenylmethylpiperidine; 1-(Phenylmethyl)4-piperidinamine; DTXSID60198578; 4-amino1-(phenylmethyl)piperidine; HMS1378J01; 4-Amino-1-benzylpiperidine, 98%; 4-Piperidinamine,1-(phenylmethyl); 1-(phenylmethyl)-4-piperidineamine; 4-amino-1-(phenylmethyl)piperidine; ALBB-004684; BCP20574; 4-amino-1-(phenylmethyl)-piperidine; NSC730607; STK397849; ZINC19230129; AKOS000119508; AB00776; AC-2456; CM10003; CS-W009234; LF-0510; LS20695; MCULE-8532668467; NSC 730607; NSC-730607; SDCCGMLS-0066225.P001; L614; R145; DB-031012; A7492; AM20060363; BB 0241889; FT-0617429; SR-01000597197; J-513823; SR-01000597197-1; W-105952; Z1245664619"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730607	.	.	.	.	190.28	C12H18N2	29.3	156	1.4	14	1	2	2	"InChI=1S/C12H18N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2"	C1CN(CCC1N)CC2=CC=CC=C2	YUBDLZGUSSWQSS-UHFFFAOYSA-N
DG60249	"3-Benzyl-1,2-dimethyl-benzo[f]benzimidazol-3-ium-4,9-dione"	416642	"NSC80465; CHEMBL2010463; NCI60_041767; 3-benzyl-1,2-dimethyl-benzo[f]benzimidazol-3-ium-4,9-dione; 1-Benzyl-2,3-dimethyl-3H-1.lambda.~5~-naphtho[2,3-d]imidazole-4,9-dione; {1H-Naphth[2,3-d]imidazolium,} 4,9-dihydro-1,2-dimethyl-4, 9-dioxo-3-(phenylmethyl)-, iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80465	.	.	.	.	317.4	C20H17N2O2+	43	514	3.8	24	0	2	2	"InChI=1S/C20H17N2O2/c1-13-21(2)17-18(22(13)12-14-8-4-3-5-9-14)20(24)16-11-7-6-10-15(16)19(17)23/h3-11H,12H2,1-2H3/q+1"	CC1=[N+](C2=C(N1CC3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)C	HKGDZBYJSUYOQS-UHFFFAOYSA-N
DG60250	"1-Isobutyl-2-methyl-3-[2-(4-nitrophenyl)-2-oxo-ethyl]benzo[f]benzimidazol-3-ium-4,9-dione"	416644	"NSC80467; CHEMBL2007901; NCI60_041769; 1-isobutyl-2-methyl-3-[2-(4-nitrophenyl)-2-oxo-ethyl]benzo[f]benzimidazol-3-ium-4,9-dione; 1-(2-(4-(Hydroxy(oxido)amino)phenyl)-2-oxoethyl)-3-isobutyl-2-methyl-3H-1.lambda.~5~-naphtho[2,3-d]imidazole-4,9-dione; 1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-2-methyl-1-(2-methylpropyl)-3-[2-(4-nitrophenyl)-2-oxoethyl]-4,9-dioxo-, bromide; 1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-3-isobutyl-2-methyl-1-(p-nitrophenacyl)-4,9-dioxo- bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80467	.	.	.	.	432.4	C24H22N3O5+	106	770	4.8	32	0	5	5	"InChI=1S/C24H22N3O5/c1-14(2)12-25-15(3)26(13-20(28)16-8-10-17(11-9-16)27(31)32)22-21(25)23(29)18-6-4-5-7-19(18)24(22)30/h4-11,14H,12-13H2,1-3H3/q+1"	CC1=[N+](C2=C(N1CC(C)C)C(=O)C3=CC=CC=C3C2=O)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-]	VWFYEZXCSWJCDM-UHFFFAOYSA-N
DG60251	Idaltim	416706	"Cortivazolum; Dilaster; Idaltim; [2-(17,20-dihydroxy-2,11,16,18-tetramethyl-7-phenyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl)-2-oxoethyl] acetate; 1110-40-3; FDA 0492; NSC-80998; H 3625; SCHEMBL21340660; NSC80998; FT-0665177; 11.beta.,21-Trihydroxy-6,16.alpha.-dimethyl-2'-phenyl-2'H-pregna-2,4,6-trieno[3,2-c]pyrazol-20-one 21-acetate; 2'H-Pregna-2,6-trieno[3,2-c]pyrazol-20-one, 11.beta.,17,21-trihydroxy-6,16.alpha.-dimethyl-2'-phenyl-, 21-acetate; 2'H-Pregna-2,6-trieno[3,2-c]pyrazol-20-one, 21-(acetyloxy)-11,17-dihydroxy-6,16-dimethyl-2'-phenyl-, (11.beta.,16.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80998	.	.	.	.	530.7	C32H38N2O5	102	1100	3.9	39	2	6	5	"InChI=1S/C32H38N2O5/c1-18-11-23-25-12-19(2)32(38,28(37)17-39-20(3)35)31(25,5)15-27(36)29(23)30(4)14-21-16-33-34(26(21)13-24(18)30)22-9-7-6-8-10-22/h6-11,13,16,19,23,25,27,29,36,38H,12,14-15,17H2,1-5H3"	CC1CC2C3C=C(C4=CC5=C(CC4(C3C(CC2(C1(C(=O)COC(=O)C)O)C)O)C)C=NN5C6=CC=CC=C6)C	RKHQGWMMUURILY-UHFFFAOYSA-N
DG60252	"2-[3-(Cyano-phenyl-methyl)-2-(2-hydroxyphenyl)-1,3-diazinan-1-yl]-2-phenyl-acetonitrile"	416751	"NSC81540; 2164-70-7; NSC-81540; CHEMBL1998076; DTXSID20329023; 2-[3-(cyano-phenyl-methyl)-2-(2-hydroxyphenyl)-1,3-diazinan-1-yl]-2-phenyl-acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	81540	.	.	.	.	408.5	C26H24N4O	74.3	619	4.7	31	1	5	5	"InChI=1S/C26H24N4O/c27-18-23(20-10-3-1-4-11-20)29-16-9-17-30(24(19-28)21-12-5-2-6-13-21)26(29)22-14-7-8-15-25(22)31/h1-8,10-15,23-24,26,31H,9,16-17H2"	C1CN(C(N(C1)C(C#N)C2=CC=CC=C2)C3=CC=CC=C3O)C(C#N)C4=CC=CC=C4	URGZWCGWLFKZMA-UHFFFAOYSA-N
DG60253	5-(Chloromethyl)quinolin-8-ol	416881	"5-(chloromethyl)quinolin-8-ol; 10136-57-9; 5-chloromethyl-8-hydroxyquinoline; 5-(Chloromethyl)-8-quinolinol; NSC83066; 8-Quinolinol, 5-(chloromethyl)-, hydrochloride; 8-Quinolinol, 5-(chloromethyl)-, hydrochloride (1:1); 8-Quinolinol, 5-(chloromethyl)-; 5-Chloromethyl-8-quinolinol; NCIOpen2_004614; SCHEMBL112193; CHEMBL220873; 8-Quinolinol,5-(chloromethyl)-; ZINC43876; 8-hydroxy-5-chloromethylquinoline; DTXSID70906080; ALBB-010263; NSC 83066; STL195401; AKOS000117116; 5-(Chloromethyl)quinolin-8-ol, 95%; MCULE-3809012268; SB21381; DB-058599; FT-0703413; A850242"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83066	.	.	.	.	193.63	C10H8ClNO	33.1	176	2.4	13	1	2	1	"InChI=1S/C10H8ClNO/c11-6-7-3-4-9(13)10-8(7)2-1-5-12-10/h1-5,13H,6H2"	C1=CC2=C(C=CC(=C2N=C1)O)CCl	JGOBHUWKRDXZEY-UHFFFAOYSA-N
DG60254	"Benzenediazonium, 4-(phenylamino)-, sulfate (2:1), polymer with formaldehyde"	416926	"DF 8 (sensitizer); DF 8; 9070-36-4; NSC-83628; p-Diazodiphenylamine sulfate-paraformaldehyde polymer; NSC 83628; Benzenediazonium, 4-(phenylamino)-, sulfate (2:1), polymer with formaldehyde; NCI83628; CCG-38291; NCGC00013873; NCGC00013873-02; NCGC00096983-01; Benzenediazonium, sulfate (2:1), polymer with formaldehyde; Formaldehyde, polymer with 4-(phenylamino)benzenediazonium sulfate (2:1); 112028-66-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83628	.	.	.	.	324.33	C13H14N3O5S+	140	312	.	22	3	7	2	"InChI=1S/C12H10N3.CH2O.H2O4S/c13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10;1-2;1-5(2,3)4/h1-9,14H;1H2;(H2,1,2,3,4)/q+1;;"	C=O.C1=CC=C(C=C1)NC2=CC=C(C=C2)[N+]#N.OS(=O)(=O)O	JODZTDZTLZXXGK-UHFFFAOYSA-N
DG60255	Vilangin	417182	"Vilangine; VILANGIN; 4370-68-7; NSC87413; UNII-DN22FU5SDN; DN22FU5SDN; 2-[(2,5-dihydroxy-3,6-dioxo-4-undecylcyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-undecylcyclohexa-2,5-diene-1,4-dione; 3-((3,6-Dihydroxy-2,5-dioxo-4-undecylcyclohexa-1(6),3-dienyl)methyl)-2,5-dihydroxy-6-undecylcyclohexa-2,5-diene-1,4-diones; 3-[(3,6-Dihydroxy-2,5-dioxo-4-undecylcyclohexa-1(6),3-dienyl)methyl]-2,5-dihydroxy-6-undecylcyclohexa-2,5-diene-1,4-diones; NSC 87413; CHEMBL1995222; DTXSID10195911; NSC-87413; ZINC73407698; 2-[(2,5-dihydroxy-3,6-dioxo-4-undecyl-cyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-undecyl-1,4-benzoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87413	.	.	.	.	600.8	C35H52O8	149	1050	10.9	43	4	8	22	"InChI=1S/C35H52O8/c1-3-5-7-9-11-13-15-17-19-21-24-28(36)32(40)26(33(41)29(24)37)23-27-34(42)30(38)25(31(39)35(27)43)22-20-18-16-14-12-10-8-6-4-2/h36,38,41,43H,3-23H2,1-2H3"	CCCCCCCCCCCC1=C(C(=O)C(=C(C1=O)O)CC2=C(C(=O)C(=C(C2=O)O)CCCCCCCCCCC)O)O	SSBANIVTGNXXSJ-UHFFFAOYSA-N
DG60256	Etamycin	417256	"Viridogrisein; Etamycin; ENTAMYCIN; NSC88468; Viridogrisein I; Etamycin A; Neoviridogrisein IV; Antibiotic K-179; Antibiotic F-1370A; 102646-56-0; 3-hydroxy-N-[24-hydroxy-7,11,13,17,20-pentamethyl-16-(3-methylbutan-2-yl)-3-(2-methylpropyl)-2,5,9,12,15,18,21-heptaoxo-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]pyridine-2-carboxamide; Antibiotic 6613; Antibioticum 6613; Antibioticum 6613 [German]; SCHEMBL4088801; CHEMBL1993563; NSC-88468; BS-1380; 3-Phenyl-4,6,10,13,22-pentamethyl-9-(1,2-dimethylpropyl)-18-(2-methylpropyl)-21-[[(3-hydroxy-2-pyridyl)carbonyl]amino]-24-hydroxy-15,16-propano-1-oxa-4,7,10,13,16,19-hexaazacyclodocosane-2,5,8,11,14,17,20-heptone; Glycine, N-[(3-hydroxy-2-pyridinyl)carbonyl]-L-threonyl-D-leucyl-4-allo-hydroxy-D-prolyl-N-methylglycyl-N,3,4-trimethyl-L-norvalyl-L-alanyl-N-methyl-L-2-phenyl-, .upsilon.-lactone; Glycine, N-[N-[N-[N-[4-allo-hydroxy-1-[N-[N-[(3-hydroxy-2-pyridinyl)carbonyl]-L-threonyl]-D-leucyl]-D-prolyl]-N-methylglycyl]-N,3-dimethyl-L-leucyl]-L-alanyl]-N-methyl-L-2-phenyl-, .upsilon.-lactone; N-(6-(1,2-Dimethylpropyl)-23-hydroxy-19-isobutyl-2,5,9,11,15-pentamethyl-1,4,7,10,13,17,20-heptaoxo-12-phenyldocosahydro-1H-pyrrolo[2,1-o][1,4,7,10,13,16,19]oxahexaazacyclodocosin-16-yl)-3-hydroxy-2-pyridinecarboxamide; N-[16-(1,2-dimethylpropyl)-24-hydroxy-3-isobutyl-7,11,13,17,20-pentamethyl-2,5,9,12,15,18,21-heptaoxo-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]-3-hydroxy-pyridine-2-carboxamide; N-[N-[N-[N-[4-Allo-hydroxy-1-[N-[N-[(3-hydroxy-2-pyridinyl)carbonyl]-L-threonyl]-D-leucyl]-D-prolyl]-N-methylglycyl]-N,3-dimethyl-L-leucyl]-L-alanyl]-N-methyl-L-2-phenylglycine .upsilon.-lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88468	.	.	.	.	879	C44H62N8O11	248	1670	3.2	63	5	12	7	"InChI=1S/C44H62N8O11/c1-23(2)19-30-42(60)52-21-29(53)20-31(52)43(61)49(8)22-33(55)50(9)36(25(5)24(3)4)40(58)46-26(6)41(59)51(10)37(28-15-12-11-13-16-28)44(62)63-27(7)34(38(56)47-30)48-39(57)35-32(54)17-14-18-45-35/h11-18,23-27,29-31,34,36-37,53-54H,19-22H2,1-10H3,(H,46,58)(H,47,56)(H,48,57)"	CC1C(C(=O)NC(C(=O)N2CC(CC2C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)O1)C3=CC=CC=C3)C)C)C(C)C(C)C)C)C)O)CC(C)C)NC(=O)C4=C(C=CC=N4)O	SATIISJKSAELDC-UHFFFAOYSA-N
DG60257	Ardisin	417291	"ARDISIN; 13917-35-6; NSC88927; UNII-MRU4UWP81Z; MRU4UWP81Z; 2,5-Cyclohexadiene-1,4-dione, 2,2'-methylenebis(3,6-dihydroxy-5-tridecyl-; 2-[(2,5-dihydroxy-3,6-dioxo-4-tridecylcyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-tridecylcyclohexa-2,5-diene-1,4-dione; 2,5-Cyclohexadiene-1,4-dione, 2,2'-methylenebis[3,6-dihydroxy-5-tridecyl-; NSC 88927; CHEMBL1981599; DTXSID00160951; NSC-88927; 2,2'-Methylenebis(3,6-dihydroxy-5-tridecyl-2,5-cyclohexadiene-1,4-dione); 2-[(2,5-dihydroxy-3,6-dioxo-4-tridecyl-cyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-tridecyl-1,4-benzoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88927	.	.	.	.	656.9	C39H60O8	149	1110	13	47	4	8	26	"InChI=1S/C39H60O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-32(40)36(44)30(37(45)33(28)41)27-31-38(46)34(42)29(35(43)39(31)47)26-24-22-20-18-16-14-12-10-8-6-4-2/h40,42,45,47H,3-27H2,1-2H3"	CCCCCCCCCCCCCC1=C(C(=O)C(=C(C1=O)O)CC2=C(C(=O)C(=C(C2=O)O)CCCCCCCCCCCCC)O)O	UJRBGYWAIIVDNE-UHFFFAOYSA-N
DG60258	2-bromo-10-(3-bromo-10-oxo-9H-anthracen-9-yl)-10H-anthracen-9-one	417379	NSC90318; NSC-90318; CHEMBL1993182; SCHEMBL18134601; 2-bromo-10-(3-bromo-10-oxo-9H-anthracen-9-yl)-10H-anthracen-9-one; NCI60_042001	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90318	.	.	.	.	544.2	C28H16Br2O2	34.1	690	7.5	32	0	2	1	"InChI=1S/C28H16Br2O2/c29-15-9-11-19-23(13-15)27(31)21-7-3-1-5-17(21)25(19)26-18-6-2-4-8-22(18)28(32)24-14-16(30)10-12-20(24)26/h1-14,25-26H"	C1=CC=C2C(=C1)C(C3=C(C2=O)C=C(C=C3)Br)C4C5=C(C=C(C=C5)Br)C(=O)C6=CC=CC=C46	MRHBNEKBCCVSMN-UHFFFAOYSA-N
DG60259	"Bufa-20,22-dienolide, 3-[(6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3beta,5beta)-"	417553	"Hellebrin; NSC93134; 13289-18-4; Bufa-20,22-dienolide, 3-[(6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3beta,5beta)-; Neuro_000039; 3-((6-Deoxy-4-O-hexopyranosylhexopyranosyl)oxy)-5,14-dihydroxy-19-oxobufa-20,22-dienolide; NSC-93134; Bufa-20,22-dienolide, 3-[(6-deoxy-4-O-.beta.-D-glucopyranosyl-.alpha.-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3.beta.,5.beta.)-; Q3911725; 3-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde; Bufa-20, 3-[(6-deoxy-4-O-.beta.-D-glucopyranosyl-.alpha.-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3.beta.,5.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93134	.	.	.	.	724.8	C36H52O15	242	1410	-1.7	51	8	15	7	"InChI=1S/C36H52O15/c1-17-30(51-32-28(43)26(41)25(40)23(14-37)50-32)27(42)29(44)31(48-17)49-19-5-10-34(16-38)21-6-9-33(2)20(18-3-4-24(39)47-15-18)8-12-36(33,46)22(21)7-11-35(34,45)13-19/h3-4,15-17,19-23,25-32,37,40-46H,5-14H2,1-2H3"	CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=COC(=O)C=C6)C)C=O)O)O)OC7C(C(C(C(O7)CO)O)O)O	DCSLTSSPIJWEJN-UHFFFAOYSA-N
DG60260	"Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-"	418099	"NSC 98580; NSC98580; NSC-98580; Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-; Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- L-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98580	.	.	.	.	533.3	C20H21BrN8O5	211	748	-1.2	34	5	12	9	"InChI=1S/C20H21BrN8O5/c1-29(8-10-7-24-17-15(25-10)16(22)27-20(23)28-17)13-4-2-9(6-11(13)21)18(32)26-12(19(33)34)3-5-14(30)31/h2,4,6-7,12H,3,5,8H2,1H3,(H,26,32)(H,30,31)(H,33,34)(H4,22,23,24,27,28)"	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)Br	RVHHUTDEYCUBRL-UHFFFAOYSA-N
DG60261	Catharanthine hcl	418553	"Catharanthine; NSC102004; CATHARANTHINE HCL; 2468-21-5; (+)-3,4-Didehydrocoronaridine; Methyl 3,4-didehydroibogamine-18-carboxylate; Sulfuric acid compound with methyl 3,4-didehydroibogamine-18-carboxylate (1:1); Oprea1_075759; SCHEMBL835722; Catharanthine, monohydrochloride; CHEMBL1988908; CHEBI:182086; STK370495; AKOS005446095; MCULE-5140143692; NSC-102004; Ibogamine-18-carboxylic acid, 3,4-didehydro-, methyl ester, (2.alpha.,5.beta.,6.alpha.,18.beta.)-; LS-14889; DB-050239; FT-0664412; Methyl 3,4-didehydroibogamine-18-carboxylate #; Methyl 3,4-didehydroibogamine-18-carboxylate hydrochloride; methyl 17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102004	.	.	.	.	336.4	C21H24N2O2	45.3	603	2.8	25	1	3	3	"InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3"	CCC1=CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC	CMKFQVZJOWHHDV-UHFFFAOYSA-N
DG60262	beta-Rhodomycin	418587	.beta.-Rhodomycin; NSC102813; CHEMBL1998133; CCG-102454; NSC-102813	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102813	.	.	.	.	677.7	C34H47NO13	238	867	.	48	9	14	2	"InChI=1S/C20H18O7.C8H17NO3.C6H12O3/c1-2-7-6-10(22)12-13(16(7)23)20(27)14-15(19(12)26)18(25)11-8(17(14)24)4-3-5-9(11)21;1-5-8(11)6(9(2)3)4-7(10)12-5;1-4-5(7)2-3-6(8)9-4/h3-5,7,10,16,21-23,26-27H,2,6H2,1H3;5-8,10-11H,4H2,1-3H3;4-8H,2-3H2,1H3"	CCC1CC(C2=C(C1O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O.CC1C(CCC(O1)O)O.CC1C(C(CC(O1)O)N(C)C)O	KXFLRDGRXPJAFE-UHFFFAOYSA-N
DG60263	NSC104795	418710	"Oleanan-29-al,28-epoxy-3-[(O-beta-D-glucopyranosyl-(1.fwdarw.3)-O-[beta-D-xylopyranosyl-(1.fwdarw.2)]-O-beta-D-glucopyranosyl-(1.fwdarw.4)-O-[beta-D-glucopyranosyl-(1.fwdarw.2)]-alpha-L-arabinopyranosyl)oxy]-16-hydroxy-, (3beta,16alpha,20beta)-; Cyclamin; CHEMBL1984356; NSC104795; NSC-104795; Oleanan-29-al,28-epoxy-3-[(O-.beta.-D-glucopyranosyl-(1.fwdarw.3)-O-[.beta.-D-xylopyranosyl-(1.fwdarw.2)]-O-.beta.-D-glucopyranosyl-(1.fwdarw.4)-O-[.beta.-D-glucopyranosyl-(1.fwdarw.2)]-.alpha.-L-arabinopyranosyl)oxy]-16-hydroxy-, (3.beta.,16.alpha.,20.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	104795	.	.	.	.	1223.3	C58H94O27	422	2340	-2.7	85	15	27	14	"InChI=1S/C58H94O27/c1-52(2)29-7-11-55(5)30(8-12-58-31-15-53(3,22-62)13-14-57(31,23-77-58)32(64)16-56(55,58)6)54(29,4)10-9-33(52)82-50-45(84-49-43(74)40(71)36(67)26(18-60)79-49)38(69)28(21-76-50)81-51-46(85-47-41(72)34(65)24(63)20-75-47)44(37(68)27(19-61)80-51)83-48-42(73)39(70)35(66)25(17-59)78-48/h22,24-51,59-61,63-74H,7-21,23H2,1-6H3"	CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(CO7)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CCC91C3(CC(C2(C9CC(CC2)(C)C=O)CO1)O)C)C)C	JPEQATLMKATGAQ-UHFFFAOYSA-N
DG60264	Daunorubicin aglycone	419026	"Daunorubicin aglycone; 9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; NSC109351; 21794-55-8; Daunomycinon; Leukaemomycinone C; Daunomycin aglicone; Daunomycin aglycone; (+)-Daunomycinone; NSC-109351; Daunomycinone-[d3]; Daunomycinone-[13C,d3]; SCHEMBL118280; CHEMBL2004641; DTXSID50944400; NCI60_000220; FT-0665483; 5, 8-acetyl-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-, (8S,10S)-; 5, 8-acetyl-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-, (8S-cis)-; 8-Acetyl-6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109351	.	.	.	.	398.4	C21H18O8	141	722	2.2	29	4	8	2	"InChI=1S/C21H18O8/c1-8(22)21(28)6-10-13(11(23)7-21)19(26)16-15(18(10)25)17(24)9-4-3-5-12(29-2)14(9)20(16)27/h3-5,11,23,25-26,28H,6-7H2,1-2H3"	CC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O)O	YOFDHOWPGULAQF-UHFFFAOYSA-N
DG60265	"6,6-Dimethyl-1-[3-[2-(4-nitrophenoxy)ethoxy]phenyl]-1,3,5-triazine-2,4-diamine"	419238	"NSC112535; CHEMBL2008701; ZINC1703697; 6,6-dimethyl-1-[3-[2-(4-nitrophenoxy)ethoxy]phenyl]-1,3,5-triazine-2,4-diamine; NCI60_000273; 1-[((4-Nitrophenoxy)ethoxy)phen-3-yl]-2,2-dimethyl-4,6-diamino-1,3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112535	.	.	.	.	398.4	C19H22N6O4	144	639	1.7	29	2	5	6	"InChI=1S/C19H22N6O4/c1-19(2)23-17(20)22-18(21)24(19)14-4-3-5-16(12-14)29-11-10-28-15-8-6-13(7-9-15)25(26)27/h3-9,12H,10-11H2,1-2H3,(H4,20,21,22,23)"	CC1(N=C(N=C(N1C2=CC(=CC=C2)OCCOC3=CC=C(C=C3)[N+](=O)[O-])N)N)C	HQROZZWFLDQSEU-UHFFFAOYSA-N
DG60266	"N-[p-[[(2,4-Diamino-6-quinazolinyl)methyl]amino]benzoyl]-L-aspartic acid"	419263	"Quinaspar; CHEMBL156237; N-[p-[[(2,4-Diamino-6-quinazolinyl)methyl]amino]benzoyl]-L-aspartic acid; NSC112846; NSC-112846; Aspartic acid,4-diamino-6-quinazolinyl)methyl]amino]benzoyl]-, L-; L-Aspartic acid,4-diamino-6-quinazolinyl)methyl]amino]benzoyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112846	.	.	.	.	424.4	C20H20N6O5	194	656	0.7	31	6	10	8	"InChI=1S/C20H20N6O5/c21-17-13-7-10(1-6-14(13)25-20(22)26-17)9-23-12-4-2-11(3-5-12)18(29)24-15(19(30)31)8-16(27)28/h1-7,15,23H,8-9H2,(H,24,29)(H,27,28)(H,30,31)(H4,21,22,25,26)"	C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NCC2=CC3=C(C=C2)N=C(N=C3N)N	RJMVWPJFVJJJLO-UHFFFAOYSA-N
DG60267	"5-((4-((2,6-Dimethyl-4-pyrimidinyl)amino)phenyl)diazenyl)-8-quinolinol"	419381	"NSC114382; NSC-114382; 5-((4-((2,6-Dimethyl-4-pyrimidinyl)amino)phenyl)diazenyl)-8-quinolinol; NCIStruc1_001544; NCIStruc2_001226; CHEMBL1437523; CHEMBL1983665; CCG-37242; NCGC00014142; NCI114382; ZINC17836904; ZINC100136859; ZINC100327166; NCGC00014142-02; NCGC00097251-01; 5-[(E)-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]azo]quinolin-8-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114382	.	.	.	.	370.4	C21H18N6O	95.6	523	4.6	28	2	7	4	"InChI=1S/C21H18N6O/c1-13-12-20(24-14(2)23-13)25-15-5-7-16(8-6-15)26-27-18-9-10-19(28)21-17(18)4-3-11-22-21/h3-12,28H,1-2H3,(H,23,24,25)"	CC1=CC(=NC(=N1)C)NC2=CC=C(C=C2)N=NC3=C4C=CC=NC4=C(C=C3)O	UUNGCXMWHCKSED-UHFFFAOYSA-N
DG60268	4-[(8-hydroxyquinolin-5-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide	419383	"NSC114384; 29821-91-8; DTXSID90421503; ZINC18206232; ZINC100680873; NSC-114384; DS-001326; BENZENESULFONAMIDE,4-[2-(8-HYDROXY-5-QUINOLINYL)DIAZENYL]-N-2-PYRIDINYL-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114384	.	.	.	.	405.4	C20H15N5O3S	125	660	3.4	29	2	8	5	"InChI=1S/C20H15N5O3S/c26-18-11-10-17(16-4-3-13-22-20(16)18)24-23-14-6-8-15(9-7-14)29(27,28)25-19-5-1-2-12-21-19/h1-13,26H,(H,21,25)"	C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C4C=CC=NC4=C(C=C3)O	IOROHHFNXSCMPV-UHFFFAOYSA-N
DG60269	NSC115610	419515	"[3,4,5-triacetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]oxan-2-yl]methyl acetate; NSC115610; CHEMBL2006619; NSC-115610"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115610	.	.	.	.	728.6	C35H36O17	245	1450	2.4	52	3	17	13	"InChI=1S/C35H36O17/c1-13(36)35(45)10-19-24(30(44)26-25(28(19)42)27(41)18-8-7-9-20(46-6)23(18)29(26)43)21(11-35)51-34-33(50-17(5)40)32(49-16(4)39)31(48-15(3)38)22(52-34)12-47-14(2)37/h7-9,21-22,31-34,42,44-45H,10-12H2,1-6H3"	CC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O	NKMHRLWNPZSPGM-UHFFFAOYSA-N
DG60270	"2,5,8-Trimethyl-10,10-diphenyl-5,10-dihydrodibenzo(b,e)(1,4)azastannine"	419766	"17154-54-0; NSC118030; UNII-QN6S3B7ZA5; QN6S3B7ZA5; 2,5,8-Trimethyl-10,10-diphenyl-5,10-dihydrodibenzo(b,e)(1,4)azastannine; 2,5,8-Trimethyl-10,10-diphenyl-5,10-dihydrodibenzo[b,e][1,4]azastannine; NSC 118030; NCIMech_000282; DTXSID80169129; CCG-35293; ZINC195785158; NSC-118030; 2,5,8-trimethyl-10,10-diphenyl-benzo[b][1,4]benzazastannine; 5,10-Dihydro-2,5,8-trimethyl-10,10-diphenyl-phenazastannine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118030	.	.	.	.	482.2	C27H25NSn	3.2	501	.	29	0	1	2	"InChI=1S/C15H15N.2C6H5.Sn/c1-12-4-8-14(9-5-12)16(3)15-10-6-13(2)7-11-15;2*1-2-4-6-5-3-1;/h4-8,10H,1-3H3;2*1-5H;"	CC1=CC2=C(C=C1)N(C3=C([Sn]2(C4=CC=CC=C4)C5=CC=CC=C5)C=C(C=C3)C)C	NOVNZOOEIFHILE-UHFFFAOYSA-N
DG60271	"Copper;1,2-dicarboxyethylazanide"	419807	NSC118516; NSC-118516	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118516	.	.	.	.	327.74	C8H12CuN2O8	151	303	.	19	6	10	4	"InChI=1S/2C4H6NO4.Cu/c2*5-2(4(8)9)1-3(6)7;/h2*2,5H,1H2,(H,6,7)(H,8,9);/q2*-1;+2"	C(C(C(=O)O)[NH-])C(=O)O.C(C(C(=O)O)[NH-])C(=O)O.[Cu+2]	FFPCGFWGVZRUBE-UHFFFAOYSA-N
DG60272	"L-Cysteine, S-[tris(4-methylphenyl)methyl]-"	420441	"NSC123491; 61137-69-7; L-Cysteine, S-[tris(4-methylphenyl)methyl]-; DTXSID20329462; NSC-123491"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123491	.	.	.	.	405.6	C25H27NO2S	88.6	460	3.1	29	2	4	7	"InChI=1S/C25H27NO2S/c1-17-4-10-20(11-5-17)25(29-16-23(26)24(27)28,21-12-6-18(2)7-13-21)22-14-8-19(3)9-15-22/h4-15,23H,16,26H2,1-3H3,(H,27,28)"	CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)SCC(C(=O)O)N	GLGZDJARSLSKDT-UHFFFAOYSA-N
DG60273	"L-Cysteine, S-[(4-fluorophenyl)diphenylmethyl]-"	420442	"NSC123493; 61137-66-4; L-Cysteine, S-[(4-fluorophenyl)diphenylmethyl]-; DTXSID80329463; NSC-123493"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123493	.	.	.	.	381.5	C22H20FNO2S	88.6	451	2.1	27	2	5	7	"InChI=1S/C22H20FNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)"	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)F)SCC(C(=O)O)N	GYNSTRCJYLZSGY-UHFFFAOYSA-N
DG60274	H-Cys(mmt)-OH	420454	"H-CYS(MMT)-OH; 177582-20-6; NSC123528; (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid; SCHEMBL14432747; S-(4-Methoxytrityl)-D-cysteine; NSC-123528; L-Cysteine, S-[(4-methoxyphenyl)diphenylmethyl]-; Alanine,.alpha.-diphenylbenzyl)thio]-, hydrate [4:1]; (S)-2-Amino-3-(((4-methoxyphenyl)diphenylmethyl)thio)propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123528	.	.	.	.	393.5	C23H23NO3S	97.8	462	1.9	28	2	5	8	"InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)"	COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N	QAINHNNAIDVCEZ-UHFFFAOYSA-N
DG60275	"L-Cysteine, S-(2-naphthalenyldiphenylmethyl)-"	420455	"NSC-123529; 25840-84-0; NSC123529; L-Cysteine, S-(2-naphthalenyldiphenylmethyl)-; DTXSID00329465"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123529	.	.	.	.	413.5	C26H23NO2S	88.6	537	3.2	30	2	4	7	"InChI=1S/C26H23NO2S/c27-24(25(28)29)18-30-26(21-11-3-1-4-12-21,22-13-5-2-6-14-22)23-16-15-19-9-7-8-10-20(19)17-23/h1-17,24H,18,27H2,(H,28,29)"	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC4=CC=CC=C4C=C3)SCC(C(=O)O)N	BCBSYXGYLMMICN-UHFFFAOYSA-N
DG60276	"L-Cysteine, S-[(4-bromophenyl)diphenylmethyl]-"	420691	"NSC-126217; 61137-67-5; NSC126217; L-Cysteine, S-[(4-bromophenyl)diphenylmethyl]-; DTXSID70329497"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	126217	.	.	.	.	442.4	C22H20BrNO2S	88.6	451	2.6	27	2	4	7	"InChI=1S/C22H20BrNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)"	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)Br)SCC(C(=O)O)N	CZMPYTSSFVPFPE-UHFFFAOYSA-N
DG60277	"5-(3,4-Dichlorophenyl)-6-[(3-methyl-4-nitro-phenoxy)methyl]pyrimidine-2,4-diamine"	420759	"NSC126710; MLS002701981; 21975-82-6; NSC-126710; NCIStruc1_001349; NCIStruc2_001691; CHEMBL265177; SCHEMBL8737810; DTXSID70329518; CCG-37857; NCGC00014282; NCI126710; ZINC37868597; NCGC00014282-02; NCGC00097391-01; SMR001565558; 2,4-Pyrimidinediamine, 5-(3,4-dichlorophenyl)-6-[(3-methyl-4-nitrophenoxy)methyl]-; 5-(3,4-dichlorophenyl)-6-[(3-methyl-4-nitro-phenoxy)methyl]pyrimidine-2,4-diamine; 2,4-diamino-5-(3,4-dichlorophenyl)-6-((4-(hydroxy(oxido)amino)-3-methylphenoxy)methyl)pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	126710	.	.	.	.	420.2	C18H15Cl2N5O3	133	540	4.1	28	2	7	4	"InChI=1S/C18H15Cl2N5O3/c1-9-6-11(3-5-15(9)25(26)27)28-8-14-16(17(21)24-18(22)23-14)10-2-4-12(19)13(20)7-10/h2-7H,8H2,1H3,(H4,21,22,23,24)"	CC1=C(C=CC(=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]	WEDPZHMFZWFEPC-UHFFFAOYSA-N
DG60278	Desmethoxy-B-peltatin-A methyl ether	420763	"CHEMBL1973112; CCG-102470; NSC-126727; .beta.-Peltatin, 3'-demethoxy-O-methyl-; DESMETHOXY-B-PELTATIN-A METHYL ETHER"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	126727	.	.	.	.	398.4	C22H22O7	72.4	612	2.9	29	0	7	4	"InChI=1S/C22H22O7/c1-24-15-5-4-11(6-16(15)25-2)19-12-7-18-22(29-10-28-18)21(26-3)13(12)8-17-20(19)14(23)9-27-17/h4-7,17,19-20H,8-10H2,1-3H3"	COC1=C(C=C(C=C1)C2C3C(CC4=C(C5=C(C=C24)OCO5)OC)OCC3=O)OC	XPWTYDWZZDAXDF-UHFFFAOYSA-N
DG60279	"4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile"	420798	"19296-55-0; NSC127471; DTXSID60329527; ZINC13285071; 4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile; NSC-127471"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127471	.	.	.	.	386.2	C18H13Cl2N5O	111	507	3.6	26	2	6	4	"InChI=1S/C18H13Cl2N5O/c19-13-6-3-11(7-14(13)20)16-15(24-18(23)25-17(16)22)9-26-12-4-1-10(8-21)2-5-12/h1-7H,9H2,(H4,22,23,24,25)"	C1=CC(=CC=C1C#N)OCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl	PRMHACFMULNDJG-UHFFFAOYSA-N
DG60280	"1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(3-(2-phenylethyl)phenyl)-"	420814	"4086-50-4; NSC127752; s-Triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(m-phenethylphenyl)-; 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(3-(2-phenylethyl)phenyl)-; 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-[3-(2-phenylethyl)phenyl]-; NSC 127752; CHEMBL97489; DTXSID70193832; 6,6-dimethyl-1-(3-phenethylphenyl)-1,3,5-triazine-2,4-diamine; ZINC1716432; 1-[3-(2-Phenylethyl)phenyl]-2,2-dimethyl-4,6-diamino-1,2-dihydro-1,3,5-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127752	.	.	.	.	321.4	C19H23N5	80	490	2.5	24	2	1	4	"InChI=1S/C19H23N5/c1-19(2)23-17(20)22-18(21)24(19)16-10-6-9-15(13-16)12-11-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H4,20,21,22,23)"	CC1(N=C(N=C(N1C2=CC=CC(=C2)CCC3=CC=CC=C3)N)N)C	DPVIAFCXICQIMF-UHFFFAOYSA-N
DG60281	"1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-(2-phenylethyl)phenyl)-"	420815	"UNII-1R9R4M2FSR; 1R9R4M2FSR; 24892-89-5; NSC127753; s-Triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(p-phenethylphenyl)-; 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-(2-phenylethyl)phenyl)-; 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-[4-(2-phenylethyl)phenyl]-; NSC 127753; CHEMBL316715; DTXSID20179601; 6,6-dimethyl-1-(4-phenethylphenyl)-1,3,5-triazine-2,4-diamine; ZINC1716433; NCI60_000633; 1,6-Dihydro-6,6-dimethyl-1-(4-(2-phenylethyl)phenyl)-1,3,5-triazine-2,4-diamine; 1-[4-(2-Phenylethyl)phenyl]-2,2-dimethyl-4,6-diamino-1,2-dihydro-1,3,5-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127753	.	.	.	.	321.4	C19H23N5	80	482	2.7	24	2	1	4	"InChI=1S/C19H23N5/c1-19(2)23-17(20)22-18(21)24(19)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-7,10-13H,8-9H2,1-2H3,(H4,20,21,22,23)"	CC1(N=C(N=C(N1C2=CC=C(C=C2)CCC3=CC=CC=C3)N)N)C	CHDGHUKZJREWGV-UHFFFAOYSA-N
DG60282	"1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(3-(4-phenoxybutyl)phenyl)-"	420816	"24892-87-3; NSC127754; 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(3-(4-phenoxybutyl)phenyl)-; s-Triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(m-(4-phenoxybutyl)phenyl)-; 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-[3-(4-phenoxybutyl)phenyl]-; s-Triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-[m-(4-phenoxybutyl)phenyl]-; NSC 127754; CHEMBL330384; DTXSID60179600; ZINC1716434; 6,6-dimethyl-1-[3-(4-phenoxybutyl)phenyl]-1,3,5-triazine-2,4-diamine; 1-[3-(4-Phenoxybutyl)phenyl]-2,2-dimethyl-4,6-diamino-1,2-dihydro-1,3,5-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127754	.	.	.	.	365.5	C21H27N5O	89.2	539	3	27	2	2	7	"InChI=1S/C21H27N5O/c1-21(2)25-19(22)24-20(23)26(21)17-11-8-10-16(15-17)9-6-7-14-27-18-12-4-3-5-13-18/h3-5,8,10-13,15H,6-7,9,14H2,1-2H3,(H4,22,23,24,25)"	CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCOC3=CC=CC=C3)N)N)C	IHIHTZZDMBOPNY-UHFFFAOYSA-N
DG60283	"3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile"	420881	"25288-14-6; NSC128580; DTXSID10329532; ZINC13285076; 3-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile; NSC-128580; 3-((2,4-dichlorophenyl)pyrimidin-4 -l)methoxy)benzonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128580	.	.	.	.	386.2	C18H13Cl2N5O	111	515	3.6	26	2	6	4	"InChI=1S/C18H13Cl2N5O/c19-13-5-4-11(7-14(13)20)16-15(24-18(23)25-17(16)22)9-26-12-3-1-2-10(6-12)8-21/h1-7H,9H2,(H4,22,23,24,25)"	C1=CC(=CC(=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)C#N	JTFFQGZOZGTMJE-UHFFFAOYSA-N
DG60284	4-((6-Chloro-2-methoxyacridin-9-yl)amino)-2-((4-methylpiperazin-1-yl)methyl)phenol	421105	500565-15-1; 4-((6-Chloro-2-methoxyacridin-9-yl)amino)-2-((4-methylpiperazin-1-yl)methyl)phenol; HM03; MLS002701988; NSC130813; NSC-130813; SMR001565565; 4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-[(4-methylpiperazin-1-yl)methyl]phenol; 4-((6-chloro-2-methoxy-9-acridinyl)amino)-2-((4-methyl-1-piperazinyl)methyl)phenol; 4-[(6-chloro-2-methoxy-9-acridinyl)amino]-2-[(4-methyl-1-piperazinyl)methyl]phenol; 4-(6-chloro-2-methoxyacridin-9-ylamino)-2-((4-methylpiperazin-1-yl)methyl)phenol; NCIStruc1_000031; NCIStruc2_001891; SCHEMBL806078; CHEMBL463783; cid_421105; BDBM81244; TQR1197; CCG-37498; NCGC00014300; NCI130813; ZINC22451073; NCGC00014300-02; NCGC00097409-01; NCI60_000676; HY-125974; CS-0103679; 4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-2-[(4-methylpiperazin-1-yl)methyl]phenol; 4-[(6-chloro-2-methoxy-acridin-9-yl)amino]-2-[(4-methylpiperazino)methyl]phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	130813	.	.	.	.	463	C26H27ClN4O2	60.9	633	5	33	2	6	5	"InChI=1S/C26H27ClN4O2/c1-30-9-11-31(12-10-30)16-17-13-19(4-8-25(17)32)28-26-21-6-3-18(27)14-24(21)29-23-7-5-20(33-2)15-22(23)26/h3-8,13-15,32H,9-12,16H2,1-2H3,(H,28,29)"	CN1CCN(CC1)CC2=C(C=CC(=C2)NC3=C4C=C(C=CC4=NC5=C3C=CC(=C5)Cl)OC)O	SUSDGTMJKOGWSZ-UHFFFAOYSA-N
DG60285	"L-Aspartic acid, N-(2-chloro-5-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-"	421299	"CHEMBL141997; NSC132483; 136242-97-2; L-Aspartic acid, N-(2-chloro-5-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-; L-Aspartic acid, N-[2-chloro-5-[[(2,4-diamino-5-methyl-6-quinazolinyl)methyl]amino]benzoyl]-; NSC 132483; DTXSID00929303; BDBM50029762; NSC-132483; L-Aspartic acid,4-diamino-5-methyl-6-quinazolinyl)methyl]amino]benzoyl]-; Aspartic acid,4-diamino-5-methyl-6-quinazolinyl)methyl]amino]benzoyl]-, dihydrate, L-; 2-[[2-chloro-5-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid; 2-{2-Chloro-5-[(2,4-diamino-5-methyl-quinazolin-6-ylmethyl)-amino]-benzoylamino}-succinic acid; N-[(2-Chloro-5-{[(2,4-diimino-5-methyl-1,2,3,4-tetrahydroquinazolin-6-yl)methyl]amino}phenyl)(hydroxy)methylidene]aspartic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132483	.	.	.	.	472.9	C21H21ClN6O5	194	729	1.7	33	6	10	8	"InChI=1S/C21H21ClN6O5/c1-9-10(2-5-14-17(9)18(23)28-21(24)27-14)8-25-11-3-4-13(22)12(6-11)19(31)26-15(20(32)33)7-16(29)30/h2-6,15,25H,7-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,23,24,27,28)"	CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C=C3)Cl)C(=O)NC(CC(=O)O)C(=O)O	SGUMXALIXOMJSH-UHFFFAOYSA-N
DG60286	"Aspartic acid,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, monohydrate, L-"	421455	"NSC134033; CHEMBL1980311; NSC-134033; Aspartic acid,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, monohydrate, L-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134033	.	.	.	.	458.9	C20H19ClN6O5	194	699	1.4	32	6	10	8	"InChI=1S/C20H19ClN6O5/c21-13-6-10(2-3-11(13)18(30)25-15(19(31)32)7-16(28)29)24-8-9-1-4-14-12(5-9)17(22)27-20(23)26-14/h1-6,15,24H,7-8H2,(H,25,30)(H,28,29)(H,31,32)(H4,22,23,26,27)"	C1=CC2=C(C=C1CNC3=CC(=C(C=C3)C(=O)NC(CC(=O)O)C(=O)O)Cl)C(=NC(=N2)N)N	CEUFDEOPWBBLCY-UHFFFAOYSA-N
DG60287	3-Hydroxy-4-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-carboxylic acid	421463	NSC134134; CHEMBL1969157; ZINC4972337; ZINC104123493; NSC-134134	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134134	.	.	.	.	448.5	C22H16N4O5S	150	778	4.5	32	3	9	6	"InChI=1S/C22H16N4O5S/c27-21-18(22(28)29)13-14-5-1-2-6-17(14)20(21)25-24-15-8-10-16(11-9-15)32(30,31)26-19-7-3-4-12-23-19/h1-13,27H,(H,23,26)(H,28,29)"	C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4)O)C(=O)O	IJQOXIRNBWKWFP-UHFFFAOYSA-N
DG60288	"Piperidine, 1-[2-(9,10-dihydro-9,10-ethanoanthracen-11-yl)-1,1-dioxido-4-phenyl-3-thietanyl]-"	421543	"NSC135371; Piperidine, 1-[2-(9,10-dihydro-9,10-ethanoanthracen-11-yl)-1,1-dioxido-4-phenyl-3-thietanyl]-; NSC-135371; CHEMBL2001269; SCHEMBL18134610; 2-phenyl-3-(1-piperidyl)-4-[ ]yl-thietane 1,1-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135371	.	.	.	.	469.6	C30H31NO2S	45.8	814	5.5	34	0	3	3	"InChI=1S/C30H31NO2S/c32-34(33)29(20-11-3-1-4-12-20)28(31-17-9-2-10-18-31)30(34)26-19-25-21-13-5-7-15-23(21)27(26)24-16-8-6-14-22(24)25/h1,3-8,11-16,25-30H,2,9-10,17-19H2"	C1CCN(CC1)C2C(S(=O)(=O)C2C3=CC=CC=C3)C4CC5C6=CC=CC=C6C4C7=CC=CC=C57	RRIBTWMCISRUHX-UHFFFAOYSA-N
DG60289	Azanide;dibromoplatinum(2+)	422107	NSC141523; NSC-141523	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141523	.	.	.	.	386.94	Br2H4N2Pt	2	7.6	.	5	2	2	0	InChI=1S/2BrH.2H2N.Pt/h2*1H;2*1H2;/q;;2*-1;+4/p-2	[NH2-].[NH2-].Br[Pt+2]Br	OTYKNRGMJLUPCT-UHFFFAOYSA-L
DG60290	Euophyllum Lactone B	422454	Euophyllum Lactone B; NSC144152; Eriophyllum lactone B; EROPHYLLUM LANATUM; CHEMBL2005675; NSC317287; NSC-144152; NSC-317287	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144152	.	.	.	.	350.4	C19H26O6	93.1	617	1	25	2	6	8	"InChI=1S/C19H26O6/c1-10(2)18(22)25-17-15(11(3)6-5-7-20)13(9-21)8-14-16(17)12(4)19(23)24-14/h11,14,16-17,20-21H,1,4-9H2,2-3H3"	CC(CCCO)C1=C(CC2C(C1OC(=O)C(=C)C)C(=C)C(=O)O2)CO	IIFHSDMQQLTWKZ-UHFFFAOYSA-N
DG60291	cis-Diamminemalonatoplatinum(II)	422683	cis-Diamminemalonatoplatinum(II); cis-Malonatodiammineplatinum(II); Diamminepropanedioatoplatinum(2+); cis-Malonatodiammine platinum(II); Malonatodiammineplatinum(II); NSC146067; NSC-146067	.	.	Investigative Drug(s)	Investigative	Small molecular drug	146067	.	.	.	.	331.19	C3H8N2O4Pt	76.6	94.7	.	10	4	6	0	"InChI=1S/C3H4O4.2H2N.Pt/c4-2(5)1-3(6)7;;;/h1H2,(H,4,5)(H,6,7);2*1H2;/q;2*-1;+2"	C(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2]	DQVUZTMWSYWINI-UHFFFAOYSA-N
DG60292	(10-Methyl-9-anthryl)methyl imidothiocarbamate	422686	"(10-Methyl-9-anthryl)methyl imidothiocarbamate; UNII-E9QK2XW6VT; E9QK2XW6VT; NSC146109; NSC 146109; NSC-146109; NCIStruc1_001785; NCIStruc2_001799; CHEMBL1409073; SCHEMBL10048252; DTXSID30208178; ZINC3954430; CCG-36633; NCGC00014387; NCI146109; NCGC00014387-03; NCGC00092324-02; NCI60_000991; 2-[(10-methyl-9-anthryl)methyl]isothiourea; Pseudourea, {2-[(10-methyl-9-anthryl)methyl]-2-thio-,} monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	146109	.	.	.	.	280.4	C17H16N2S	75.2	333	5.1	20	2	2	3	"InChI=1S/C17H16N2S/c1-11-12-6-2-4-8-14(12)16(10-20-17(18)19)15-9-5-3-7-13(11)15/h2-9H,10H2,1H3,(H3,18,19)"	CC1=C2C=CC=CC2=C(C3=CC=CC=C13)CSC(=N)N	HXWYHTMSLSSLAO-UHFFFAOYSA-N
DG60293	NSC146267	422708	"9-(2-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-4,5-dimethoxyphenoxy)-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline; NSC146267; CHEMBL2002665; NSC-146267; [2-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4,5-dimethoxy-phenoxy]-tetramethoxy-methyl-[ ]; 9-(2-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-4,5-dimethoxyphenoxy)-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	146267	.	.	.	.	726.9	C42H50N2O9	89.6	1170	6.6	53	0	11	12	"InChI=1S/C42H50N2O9/c1-43-13-11-23-17-32(45-3)34(47-5)20-27(23)29(43)16-25-19-33(46-4)36(49-7)22-31(25)53-37-18-24-15-30-38-26(12-14-44(30)2)40(50-8)42(52-10)41(51-9)39(38)28(24)21-35(37)48-6/h17-22,29-30H,11-16H2,1-10H3"	CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC	UEKRHVIBSZVFQN-UHFFFAOYSA-N
DG60294	N-cyclohexylcyclohexanamine; 2-[(Z)-2-thienylmethyleneamino]-3-tritylsulfanyl-propanoic acid	422867	"NSC148290; CHEMBL1997094; NSC-148290; Alanine, compd. with dicyclohexylamine (1:1), DL-; DL-Cysteine, compd. with N-cyclohexylcyclohexanamine (1:1); Alanine, N-2-thenylidene-3-(tritylthio)-, compd. with dicyclohexylamine (1:1), DL-; N-(2-Thienylmethylene)-S-tritylcysteine compound with N-cyclohexylcyclohexanamine (1:1); N-cyclohexylcyclohexanamine; 2-[(Z)-2-thienylmethyleneamino]-3-tritylsulfanyl-propanoic acid; DL-Cysteine, N-(2-thienylmethylene)-S-(triphenylmethyl)-, compd. with N-cyclohexylcyclohexanamine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	148290	.	.	.	.	638.9	C39H46N2O2S2	115	677	.	45	2	6	11	"InChI=1S/C27H23NO2S2.C12H23N/c29-26(30)25(28-19-24-17-10-18-31-24)20-32-27(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-19,25H,20H2,(H,29,30);11-13H,1-10H2"	C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N=CC4=CC=CS4	NVWRBRLAFVILLU-UHFFFAOYSA-N
DG60295	"Bleomycin A5, sulfate"	422920	"Bleomycin A5, sulfate; Bleomycinamide, sulfate (salt); NSC-149501"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	149501	.	.	.	.	1538.6	C57H91N19O25S3	805	2700	.	104	24	37	40	"InChI=1S/C57H89N19O21S2.H2O4S/c1-22-35(73-48(76-46(22)61)27(14-33(60)80)68-15-26(59)47(62)86)52(90)75-37(43(28-16-65-21-69-28)95-56-45(41(84)39(82)31(17-77)94-56)96-55-42(85)44(97-57(63)92)40(83)32(18-78)93-55)53(91)70-24(3)38(81)23(2)49(87)74-36(25(4)79)51(89)67-13-8-34-71-30(20-98-34)54-72-29(19-99-54)50(88)66-12-7-11-64-10-6-5-9-58;1-5(2,3)4/h16,19-21,23-27,31-32,36-45,55-56,64,68,77-79,81-85H,5-15,17-18,58-59H2,1-4H3,(H2,60,80)(H2,62,86)(H2,63,92)(H,65,69)(H,66,88)(H,67,89)(H,70,91)(H,74,87)(H,75,90)(H2,61,73,76);(H2,1,2,3,4)"	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCCN)O.OS(=O)(=O)O	DTXGEAJEYIBASZ-UHFFFAOYSA-N
DG60296	Bleomycin fraction blm-hpe	423076	BLEOMYCIN FRACTION BLM-HPE; NSC150862; CHEMBL2001785; NSC-150862	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150862	.	.	.	.	1396.5	C55H81N17O22S2	681	2630	-8.4	96	20	32	34	"InChI=1S/C55H81N17O22S2/c1-19(75)11-60-8-9-63-48(85)26-16-96-52(67-26)27-17-95-31(66-27)6-7-62-49(86)34(23(5)76)69-47(84)21(3)36(78)22(4)65-51(88)35(70-50(87)33-20(2)44(57)71-46(68-33)28-10-32(77)72(28)13-24(56)45(58)83)41(25-12-61-18-64-25)92-54-43(39(81)37(79)29(14-73)91-54)93-53-40(82)42(94-55(59)89)38(80)30(15-74)90-53/h12,16-19,21-24,28-30,34-43,53-54,60,73-76,78-82H,6-11,13-15,56H2,1-5H3,(H2,58,83)(H2,59,89)(H,61,64)(H,62,86)(H,63,85)(H,65,88)(H,69,84)(H,70,87)(H2,57,68,71)"	CC1=C(N=C(N=C1N)C2CC(=O)N2CC(C(=O)N)N)C(=O)NC(C(C3=CN=CN3)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC6=NC(=CS6)C7=NC(=CS7)C(=O)NCCNCC(C)O)O	BJQWJBNJYWTVGE-UHFFFAOYSA-N
DG60297	"9-Methoxy-2,5,6,11-tetramethyl-pyrido[4,3-b]carbazol-2-ium"	423644	"NSC155694; 9-Methoxy-2,6-dimethylellipticinium iodide; Neuro_000087; CHEMBL1179280; ZINC1578888; NCI60_001108; 9-methoxy-2,5,6,11-tetramethyl-pyrido[4,3-b]carbazol-2-ium; 6H-Pyrido[4,3-b]carbazolium, 9-methoxy-2,5,6,11-tetramethyl-,iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	155694	.	.	.	.	305.4	C20H21N2O+	18	441	4.3	23	0	1	1	"InChI=1S/C20H21N2O/c1-12-17-11-21(3)9-8-15(17)13(2)20-19(12)16-10-14(23-5)6-7-18(16)22(20)4/h6-11H,1-5H3/q+1"	CC1=C2C=C[N+](=CC2=C(C3=C1N(C4=C3C=C(C=C4)OC)C)C)C	PSMLZEJQSPVYCO-UHFFFAOYSA-N
DG60298	CID 423677	423677	15956-28-2; NSC156310; NSC-156310	.	.	Investigative Drug(s)	Investigative	Small molecular drug	156310	.	.	.	.	446.02	C8H16O8Rh2	149	181	.	18	4	8	0	"InChI=1S/4C2H4O2.2Rh/c4*1-2(3)4;;/h4*1H3,(H,3,4);;"	CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.[Rh].[Rh]	DRGVLUZIGUIMLB-UHFFFAOYSA-N
DG60299	Secalonic acid	423972	"Secalonic acid; NSC159631; SECALONSAURE D; 56283-72-8; SAD; dimethyl 1,1',5,5',9,9'-hexahydroxy-6,6'-dimethyl-8,8'-dioxo-5,5',6,6',7,7',8,8'-octahydro-10aH,10a'H-2,2'-bixanthene-10a,10a'-dicarboxylate; Ergochrome AA (2,6-.alpha.,10-.beta.-5',6'-.alpha.,10'-.beta.; NSC-159631; (7,4'a-dicarboxylic acid, 2,2',3,3',4,4',9,9'-octahydro-1,1',4,4',8,8'-hexahydroxy-3,3'-dimethyl-9,9'-dioxo-, dimethyl ester, [3S-[3-.alpha.,4-.beta.,4a-.beta.,7(3'r,4'S,4'As)]]; (7,4'a-dicarboxylic acid, 2,2',3,3',4,4',9,9'-octahydro-1,1',4,4',8,8'-hexahydroxy-3,3'-dimethyl-9,9'-dioxo-, dimethyl ester, [3S-[3.alpha.,4.beta.,4a.beta.,7(3'r*,4's*,4'as*)]]-; [7,4'a-dicarboxylic acid, 2,2',3,3',4,4',9,9'-octahydro-1,1',4,4',8,8'-hexahydroxy-3,3'-dimethyl-9,9'-dioxo-, dimethyl ester, [3S-[3.alpha.,4.beta.,4a.beta.,7(3'R*,4'S*,4'aS*)]]-; SECALONSAURE A; SECALONSAURE B; CHEMBL30050; DTXSID50956725; DTXSID001017604; NSC268920; NSC268921; NSC268922; NSC-268920; NSC-268921; NSC-268922; [7,7'-Bi-4aH-xanthene]-4a,4'a-dicarboxylic acid, 2,2',3,3',4,4',9,9'-octahydro-1,1',4,4',8,8'-hexahydroxy-3,3'-dimethyl-9,9'-dioxo-, dimethyl ester, [3S-[3.alpha.,4.beta.,4a.beta.,7(3'R*,4'S*,4'aS*)]]-; Ergochrome AA (2,2')-5-.beta.,6-.alpha.,10-.beta.-5',6'-.alpha.,10'-.beta.; Ergochrome AA(2,2'), (5.beta.,6.alpha.,10.beta.)-(5'.beta.,6'.alpha.,10'.beta.)-; (7,7'-Bi-4aH-xanthene)-4a,4'a-dicarboxylic acid, 2,2',3,3',4,4',9,9'-octahydro-1,1',4,4',8,8'-hexahydroxy-3,3'-dimethyl-9,9'-dioxo-, dimethyl ester, (3S-(3-.alpha.,4-.beta.,4a-.beta.,7(3'R,4'S,4'AS))); Dimethyl 1,1',5,5',8,8'-hexahydroxy-6,6'-dimethyl-9,9'-dioxo-5,5',6,6',7,7',9,9'-octahydro-10aH,10'aH-[2,2'-bixanthene]-10a,10'a-dicarboxylate; methyl(3S,4R,4aR)-7-[(5R,6S,10aR)-1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4,8,9-trihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	159631	.	.	.	.	638.6	C32H30O14	227	1300	3.1	46	6	14	5	"InChI=1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,35-40H,9-10H2,1-4H3"	CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)O)C(=O)OC)O)OC2(C1O)C(=O)OC)O	NFZJAYYORNVZNI-UHFFFAOYSA-N
DG60300	"Ethanesulfon-m-anisidide,5-dimethyl-9-acridinyl)-, monomethanesulfonate"	423984	"NSC159862; NSC-159862; Ethanesulfon-m-anisidide,5-dimethyl-9-acridinyl)-, monomethanesulfonate; Ethanesulfonamide,5-dimethyl-9-acridinyl)amino]-3-methoxyphenyl]-, monomethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	159862	.	.	.	.	531.6	C25H29N3O6S2	151	763	.	36	3	9	6	"InChI=1S/C24H25N3O3S.CH4O3S/c1-5-31(28,29)27-20-14-8-13-19(24(20)30-4)25-23-17-11-6-9-15(2)21(17)26-22-16(3)10-7-12-18(22)23;1-5(2,3)4/h6-14,27H,5H2,1-4H3,(H,25,26);1H3,(H,2,3,4)"	CCS(=O)(=O)NC1=CC=CC(=C1OC)NC2=C3C=CC=C(C3=NC4=C(C=CC=C42)C)C.CS(=O)(=O)O	RFBLEYQVKVJCJV-UHFFFAOYSA-N
DG60301	"4-Quinazolinamine, 2-[2-(1-pyrrolidinylazo)phenyl]-"	424332	"52698-02-9; NSC163424; CHEMBL2004726; DTXSID50329839; ZINC18031777; ZINC104143247; NSC-163424; 4-Quinazolinamine, 2-[2-(1-pyrrolidinylazo)phenyl]-; 2-{2-[(E)-(Pyrrolidin-1-yl)diazenyl]phenyl}quinazolin-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163424	.	.	.	.	318.4	C18H18N6	79.8	435	4	24	1	6	3	"InChI=1S/C18H18N6/c19-17-13-7-1-3-9-15(13)20-18(21-17)14-8-2-4-10-16(14)22-23-24-11-5-6-12-24/h1-4,7-10H,5-6,11-12H2,(H2,19,20,21)"	C1CCN(C1)N=NC2=CC=CC=C2C3=NC4=CC=CC=C4C(=N3)N	MPVUVXGYWCUFOB-UHFFFAOYSA-N
DG60302	"2-[11-(2-Methylsulfonyloxyethyl)-7,14,15-trithia-3,11-diazadispiro[5.1.5^{8}.2^{6}]pentadecan-3-yl]ethyl methanesulfonate"	424599	"NSC166576; CHEMBL2007992; ZINC73333800; 2-[11-(2-methylsulfonyloxyethyl)-7,14,15-trithia-3,11-diazadispiro[5.1.5^{8}.2^{6}]pentadecan-3-yl]ethyl methanesulfonate; {7,14,15-Trithia-3,11-diazadispiro[5.1.5.2]pentadecane-3,} 11-diethanol, dimethanesulfonate (ester), dihydrochloride; 2-(11-(2-((Methylsulfonyl)oxy)ethyl)-7,14,15-trithia-3,11-diazadispiro[5.1.5.2]pentadec-3-yl)ethyl methanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166576	.	.	.	.	506.8	C16H30N2O6S5	186	684	1.2	29	0	11	8	"InChI=1S/C16H30N2O6S5/c1-28(19,20)23-13-11-17-7-3-15(4-8-17)25-16(27-26-15)5-9-18(10-6-16)12-14-24-29(2,21)22/h3-14H2,1-2H3"	CS(=O)(=O)OCCN1CCC2(CC1)SC3(CCN(CC3)CCOS(=O)(=O)C)SS2	KLSHDGDACAQISE-UHFFFAOYSA-N
DG60303	Asaley	424723	"Asaley; Asalex; NSC167780; Ethyl ester of N-acetyl-DL-sarcolysyl-L-leucine; 16753-43-8; Ethyl 2-((2-(acetylamino)-3-(4-(bis(2-chloroethyl)amino)phenyl)propanoyl)amino)-4-methylpentanoate; ethyl 2-[(2-(acetylamino)-3-{4-[bis(2-chloroethyl)amino]phenyl}propanoyl)amino]-4-methylpentanoate; L-Leucine, ethylester; CHEMBL2005676; SCHEMBL13840901; DTXSID00937342; NSC220304; NSC220305; AKOS000589106; AKOS024304118; MCULE-7798517138; NSC-167780; NSC-220304; NSC-220305; 70448-42-9; ETHYL 2-[[2-ACETAMIDO-3-[4-[BIS(2-CHLOROETHYL)AMINO]PHENYL]PROPANOYL]AMINO]-4-METHYL-PENTANOATE; L-Leucine, {N-[N-acetyl-4-[bis(2-chloroethyl)amino]-DL-phenylalanyl]-,} ethyl ester; L-Leucine, {N-[N-acetyl-4-[bis-(2-chloroethyl)amino]-DL-phenylalanyl]-,} ethylester; L-Leucine, N-(N-acetyl-4-(bis(2-chloroethyl)amino)-DL-phenylalanyl)-, ethyl ester; Leucine, {N-[N-acetyl-3-[p-[bis(2-chloroethyl)amino]phenyl]-DL-alanyl]-,} ethyl ester, L-; Leucine, N-(N-acetyl-3-(p-(bis(2-chloroethyl)amino)phenyl)-DL-alanyl)-, ethyl ester, L-; 3-{4-[Bis(2-chloroethyl)amino]phenyl}-N-(1-ethoxy-4-methyl-1-oxopentan-2-yl)-2-[(1-hydroxyethylidene)amino]propanimidic acid; Ethyl 2-[(2-(acetylamino)-3-(4-[bis(2-chloroethyl)amino]phenyl)propanoyl)amino]-4-methylpentanoate #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	167780	.	.	.	.	488.4	C23H35Cl2N3O4	87.7	578	3.3	32	2	5	15	"InChI=1S/C23H35Cl2N3O4/c1-5-32-23(31)21(14-16(2)3)27-22(30)20(26-17(4)29)15-18-6-8-19(9-7-18)28(12-10-24)13-11-25/h6-9,16,20-21H,5,10-15H2,1-4H3,(H,26,29)(H,27,30)"	CCOC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C	GBPZYMBDOBODNK-UHFFFAOYSA-N
DG60304	"Platinum, bis(aziridine)dichloro-"	425134	"NSC170896; Platinum, bis(aziridine)dichloro-; NSC145382; NSC-145382; NSC-170896"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	170896	.	.	.	.	350.11	C4H8Cl2N2Pt	2	45.8	.	9	0	2	0	InChI=1S/2C2H4N.2ClH.Pt/c2*1-2-3-1;;;/h2*1-2H2;2*1H;/q2*-1;;;+4/p-2	C1C[N-]1.C1C[N-]1.Cl[Pt+2]Cl	DXSSDUSCEPVURD-UHFFFAOYSA-L
DG60305	"2,6-Dichloro-4-[1,2,2-tris(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol"	425241	"NSC-172033; NSC172033; CHEMBL238624; Phenol,4',4'',4'''-(1,2-ethanediylidene)tetrakis(2,6-dichloro-; Phenol,4',4'',4'''-(1,2-ethanediylidene)tetrakis[2,6-dichloro-; NCIStruc1_000231; NCIStruc2_000075; SCHEMBL1595467; ZINC8034768; BDBM50221402; CCG-36335; NCGC00014500; NCI172033; NCGC00014500-02; NCGC00097604-01; Phenol, 4,4',4'',4'''-(1,2-ethanediylidene)tetrakis(2,6-dichloro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	172033	.	.	.	.	674	C26H14Cl8O4	80.9	614	10.6	38	4	4	5	"InChI=1S/C26H14Cl8O4/c27-13-1-9(2-14(28)23(13)35)21(10-3-15(29)24(36)16(30)4-10)22(11-5-17(31)25(37)18(32)6-11)12-7-19(33)26(38)20(34)8-12/h1-8,21-22,35-38H"	C1=C(C=C(C(=C1Cl)O)Cl)C(C2=CC(=C(C(=C2)Cl)O)Cl)C(C3=CC(=C(C(=C3)Cl)O)Cl)C4=CC(=C(C(=C4)Cl)O)Cl	PGVJRDOIJQMGEF-UHFFFAOYSA-N
DG60306	"1,3,5-Triazine-2,4-diamine, 1-(4-fluoro-3-(trifluoromethyl)phenyl)-1,6-dihydro-6,6-dimethyl-"	425379	"47155-00-0; NSC173516; 1,3,5-Triazine-2,4-diamine, 1-(4-fluoro-3-(trifluoromethyl)phenyl)-1,6-dihydro-6,6-dimethyl-; 1,3,5-Triazine-2,4-diamine, 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1,6-dihydro-6,6-dimethyl-; NSC 173516; DTXSID30197053; 1-[4-fluoro-3-(trifluoromethyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	173516	.	.	.	.	303.26	C12H13F4N5	80	471	1.3	21	2	5	1	"InChI=1S/C12H13F4N5/c1-11(2)20-9(17)19-10(18)21(11)6-3-4-8(13)7(5-6)12(14,15)16/h3-5H,1-2H3,(H4,17,18,19,20)"	CC1(N=C(N=C(N1C2=CC(=C(C=C2)F)C(F)(F)F)N)N)C	WUVURUKQDQVFJR-UHFFFAOYSA-N
DG60307	"2-({4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-naphthalene-1-carbonyl}-amino)-pentanedioic acid"	425430	"NSC174121; MLS002703023; CHEMBL132431; SCHEMBL19665279; BDBM50043394; NSC-174121; SMR001566831; N-[[4-[[(2, HYDRATE (4:3); L-Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]-1-naphthalenyl]carbonyl]-; 2-({4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-naphthalene-1-carbonyl}-amino)-pentanedioic acid; L-Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]-1-naphthalenyl]carbonyl]-, hydrate (4:3)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174121	.	.	.	.	504.5	C24H24N8O5	211	833	-0.6	37	5	12	9	"InChI=1S/C24H24N8O5/c1-32(11-12-10-27-21-19(28-12)20(25)30-24(26)31-21)17-8-6-15(13-4-2-3-5-14(13)17)22(35)29-16(23(36)37)7-9-18(33)34/h2-6,8,10,16H,7,9,11H2,1H3,(H,29,35)(H,33,34)(H,36,37)(H4,25,26,27,30,31)"	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C4=CC=CC=C43)C(=O)NC(CCC(=O)O)C(=O)O	XNZUKUJONMYGIN-UHFFFAOYSA-N
DG60308	"Mercury, chloro-2-naphthalenyl-"	425433	"Mercury, chloro-2-naphthalenyl-; NSC174163; 39966-41-1; 2-naphthylmercury chloride; DTXSID20329967; CCG-35903; NSC-174163; NCI60_001418; DS-011339"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174163	.	.	.	.	363.21	C10H7ClHg	0	149	.	12	0	0	0	"InChI=1S/C10H7.ClH.Hg/c1-2-6-10-8-4-3-7-9(10)5-1;;/h1-3,5-8H;1H;/q;;+1/p-1"	C1=CC=C2C=C(C=CC2=C1)[Hg]Cl	JEWKITRCRXNBDK-UHFFFAOYSA-M
DG60309	Dichloro(dipropyl)stannane;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol	425443	"NSC174218; NSC-174218; Phenol,2'-[1,2-ethanediylbis(nitrilomethylidyne)]bis-, compd. with dichlorodipropylstannane (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174218	.	.	.	.	544.1	C22H30Cl2N2O2Sn	65.2	364	.	29	2	4	9	"InChI=1S/C16H16N2O2.2C3H7.2ClH.Sn/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2*1-3-2;;;/h1-8,11-12,19-20H,9-10H2;2*1,3H2,2H3;2*1H;/q;;;;;+2/p-2"	CCC[Sn](CCC)(Cl)Cl.C1=CC=C(C(=C1)C=NCCN=CC2=CC=CC=C2O)O	FKSVBEYZSPODQH-UHFFFAOYSA-L
DG60310	"6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyloctane-3,5-dione;silver"	425550	"6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione;silver; 76121-99-8; NSC174892; NSC-174892; Silver,6,7,7,8,8,8-heptafluoro-3,5-octanedionato-O,O')-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174892	.	.	.	.	404.05	C10H11AgF7O2	34.1	382	.	20	0	9	3	"InChI=1S/C10H11F7O2.Ag/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h4H2,1-3H3;"	CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.[Ag]	AGHGGIAOTGPSQB-UHFFFAOYSA-N
DG60311	"Erbium;6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione"	425551	"erbium;6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione; NSC174894; NSC-174894; Erbium,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-O,O')-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174894	.	.	.	.	1055.8	C30H33ErF21O6	102	1310	.	58	0	27	9	"InChI=1S/3C10H11F7O2.Er/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4H2,1-3H3;"	CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.[Er]	ZPORHVZNIJVNGC-UHFFFAOYSA-N
DG60312	"3-(9-Methoxy-5,11-dimethyl-pyrido[4,3-b]carbazol-6-yl)-propylamine"	425818	"NSC-176327; CHEMBL363332; NCI-176327; NSC176327; Probes1_000288; Probes2_000234; Neuro_000102; NCIStruc1_001974; NCIStruc2_001732; SCHEMBL7749262; ZINC1720645; BDBM50154460; CCG-37830; NCGC00014511; NCI176327; NCGC00014511-02; NCGC00014511-03; NCGC00097615-01; NCGC00097615-02; NCI60_001453; 3-(5,11-Dimethyl-9-methoxy-6H-pyrido[4,3-b]carbazole-6-yl)propylamine; 3-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-6-yl)propan-1-amine; 3-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-6-yl)propylamine; 3-(9-Methoxy-5,11-dimethyl-pyrido[4,3-b]carbazol-6-yl)-propylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176327	.	.	.	.	333.4	C21H23N3O	53.1	458	3.6	25	1	3	4	"InChI=1S/C21H23N3O/c1-13-18-12-23-9-7-16(18)14(2)21-20(13)17-11-15(25-3)5-6-19(17)24(21)10-4-8-22/h5-7,9,11-12H,4,8,10,22H2,1-3H3"	CC1=C2C=CN=CC2=C(C3=C1N(C4=C3C=C(C=C4)OC)CCCN)C	FFGIBLYMAQEJFJ-UHFFFAOYSA-N
DG60313	"3-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-6-yl)-1-propanamine"	425819	"NSC176328; NSC-176328; NCGC00014512; Neuro_000103; NCIStruc1_001944; SCHEMBL1817881; CHEMBL2009992; ZINC1720646; NCGC00014512-02; NCGC00097616-01; NCI60_001454; 3-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-6-yl)-1-propanamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176328	.	.	.	.	303.4	C20H21N3	43.8	412	4.1	23	1	2	3	"InChI=1S/C20H21N3/c1-13-17-12-22-10-8-15(17)14(2)20-19(13)16-6-3-4-7-18(16)23(20)11-5-9-21/h3-4,6-8,10,12H,5,9,11,21H2,1-2H3"	CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CCCN)C	NYSZCISINQPRPK-UHFFFAOYSA-N
DG60314	"2-[[4-[(2,4-Diamino-5-ethylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid"	426244	"NSC184692; 136242-98-3; 2-[[4-[(2,4-diamino-5-ethylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid; (2S)-2-[[4-[(2,4-diamino-5-ethylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid; L-Aspartic acid, N-(4-(((2,4-diamino-5-ethyl-6-quinazolinyl)methyl)amino)benzoyl)-; L-Aspartic acid, N-[4-[[(2,4-diamino-5-ethyl-6-quinazolinyl)methyl]amino]benzoyl]-; NSC 184692; CHEMBL1978508; DTXSID60929304; NSC-184692; L-Aspartic acid, N-[4-[[(2,4-diamino-5-ethyl-6-quinazolinyl)methyl]-; L-Aspartic acid,4-diamino-5-ethyl-6-quinazolinyl)methyl]amino]benzoyl]-; 2-[[4-[(2,4-diamino-5-ethyl-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid; L-Aspartic acid,4-diamino-5-ethyl-6-quinazolinyl)methyl]amino]benzoyl]-, sesquihydrate; N-(4-{[(5-Ethyl-2,4-diimino-1,2,3,4-tetrahydroquinazolin-6-yl)methyl]amino}benzoyl)aspartic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	184692	.	.	.	.	452.5	C22H24N6O5	194	701	1.5	33	6	10	9	"InChI=1S/C22H24N6O5/c1-2-14-12(5-8-15-18(14)19(23)28-22(24)27-15)10-25-13-6-3-11(4-7-13)20(31)26-16(21(32)33)9-17(29)30/h3-8,16,25H,2,9-10H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,23,24,27,28)"	CCC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC=C(C=C3)C(=O)NC(CC(=O)O)C(=O)O	MALRUKQRDHTJPO-UHFFFAOYSA-N
DG60315	Funiferine	426395	Funiferine; NSC-189487; NSC189487; CHEMBL1969696	.	.	Investigative Drug(s)	Investigative	Small molecular drug	189487	.	.	.	.	622.7	C38H42N2O6	72.9	1000	6.4	46	1	8	4	"InChI=1S/C38H42N2O6/c1-39-13-11-24-19-33(43-4)34-21-26(24)29(39)17-23-8-10-32(42-3)28(16-23)27-15-22(7-9-31(27)41)18-30-36-25(12-14-40(30)2)20-35(44-5)37(45-6)38(36)46-34/h7-10,15-16,19-21,29-30,41H,11-14,17-18H2,1-6H3"	CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)OC)C5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC	ODCYIKWOTVSPKB-UHFFFAOYSA-N
DG60316	Cadmium;2-diphenylphosphorylacetic acid	426571	NSC194270; NSC-194270	.	.	Investigative Drug(s)	Investigative	Small molecular drug	194270	.	.	.	.	632.9	C28H26CdO6P2	109	685	.	37	2	6	4	"InChI=1S/2C14H13O3P.Cd/c2*15-14(16)11-18(17,12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h2*1-10H,11H2,(H,15,16);"	C1=CC=C(C=C1)P(=O)(CC(=O)O)C2=CC=CC=C2.C1=CC=C(C=C1)P(=O)(CC(=O)O)C2=CC=CC=C2.[Cd]	FGWZCFCHGJRBJM-UHFFFAOYSA-N
DG60317	"1,2-Diaminocyclohexane platinum (II) chloride"	426607	"Dichloro(1,2-diaminocyclohexane)platinum(II); 52691-24-4; 61848-66-6; SMR000653529; PT 155; NSC 265459; NSC 265460; Dichloro(1,2-diaminocyclohexane)platinum; Platinum,2-cyclohexanediamine-N,N')-, (SP-4-2-(cis))-; Platinum,2-cyclohexanediamine-N,N')-, [SP-4-2-(cis)]-; Platinum,2-cyclohexanediamine-N,N')-, (SP-4-2-(1R-trans))-; Platinum,2-cyclohexanediamine-N,N')-, (SP-4-2-(1S-trans))-; Platinum,2-cyclohexanediamine-N,N')-, [SP-4-2-(1R-trans)]-; Platinum,2-cyclohexanediamine-N,N')-, [SP-4-2-(1S-trans)]-; NSC-194814; trans(+)-Ddcp; NSC194814; XX 212; Dichloro(1,2-diaminocyclohexane)platinum (II); Dichloro(1,2-cyclohexanediamine)platinum; 1,2-Diaminocyclohexane platinum (II) chloride; cis-Dichloro(1,2-diaminocyclohexane)platinum(II); MLS001332521; MLS001332522; NIOSH/TP2275991; SCHEMBL11318975; HMS2230C03; HMS3369G10; NSC255917; NSC265459; NSC265460; NSC364837; NSC-255917; NSC-265459; NSC-265460; NSC-364837; TP22759910; Platinum,2-cyclohexanediamine-N,N'), (SP-4-2)-; trans(+)-Dichloro-1,2-diaminocyclohexaneplatinum(II); Platinum,2-cyclohexanediamine-N,N')-, [SP-4-2-(trans)]-; Platinum(II), (cyclohexane-1,2-diammine)dichloro-, (E)-(+)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	255917	.	.	.	.	378.16	C6H12Cl2N2Pt	2	84.7	.	11	2	2	0	"InChI=1S/C6H12N2.2ClH.Pt/c7-5-3-1-2-4-6(5)8;;;/h5-8H,1-4H2;2*1H;/q-2;;;+4/p-2"	C1CCC(C(C1)[NH-])[NH-].Cl[Pt+2]Cl	UUERTZXRKZEANK-UHFFFAOYSA-L
DG60318	eta-Rhodomycinone	426672	"NSC196524; eta-Rhodomycinone; .epsilon.-Rhodomycinone; RHODOMYCINONE, E-; CHEMBL1979596; DTXSID10943792; NSC-196524; NCI60_001641; 7-methyl-Imidazo[1,2-a]pyridine-3-acetamide; Methyl 2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	196524	.	.	.	.	428.4	C22H20O9	162	768	2.7	31	5	9	3	"InChI=1S/C22H20O9/c1-3-22(30)7-10(24)12-13(16(22)21(29)31-2)20(28)14-15(19(12)27)18(26)11-8(17(14)25)5-4-6-9(11)23/h4-6,10,16,23-24,27-28,30H,3,7H2,1-2H3"	CCC1(CC(C2=C(C1C(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O)O	PYFOXRACBORDCT-UHFFFAOYSA-N
DG60319	"8-Methyl-3-oxa-2lambda6-thia-6-mercurabicyclo[5.3.1]undeca-1(11),7,9-triene 2,2-dioxide"	426927	NSC203308; NSC-203308	.	.	Investigative Drug(s)	Investigative	Small molecular drug	203308	.	.	.	.	398.83	C9H10HgO3S	51.8	296	.	14	0	3	0	"InChI=1S/C9H10O3S.Hg/c1-3-12-13(10,11)9-6-4-8(2)5-7-9;/h4,6-7H,1,3H2,2H3;"	CC1=C2C=C(C=C1)S(=O)(=O)OCC[Hg]2	CXIZNOYVTMMNMP-UHFFFAOYSA-N
DG60320	Thalictropine	427204	"THALICTROPINE; (+)-Thalictropine; 1-DESMETHYLTHALICARPINE; NSC209759; 39032-60-5; 9-(2-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-4,5-dimethoxyphenoxy)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-1-ol; 9-(2-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-4,5-dimethoxyphenoxy)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol; NSC 209759; CHEMBL1974048; DTXSID10959873; NSC-209759; [2-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4,5-dimethoxy-phenoxy]-dimethoxy-methyl-[ ]ol; 9-{2-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy}-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	209759	.	.	.	.	682.8	C40H46N2O8	91.3	1100	6.3	50	1	10	10	"InChI=1S/C40H46N2O8/c1-41-11-9-22-15-31(44-3)33(46-5)19-26(22)28(41)14-25-18-32(45-4)35(48-7)21-30(25)50-36-17-24-13-29-38-23(10-12-42(29)2)16-37(49-8)40(43)39(38)27(24)20-34(36)47-6/h15-21,28-29,43H,9-14H2,1-8H3"	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)O)OC	DRACRVAKPKYPSB-UHFFFAOYSA-N
DG60321	"(2-Azanidyl-4,5-dimethylphenyl)azanide;dichloroplatinum(2+)"	427639	"40580-75-4; (2-azanidyl-4,5-dimethylphenyl)azanide;dichloroplatinum(2+); Dichloro(4,5-dimethyl-o-phenylenediamine)platinum(II); NSC215153; Dichloro(4,N')platinum; Dichloro(4,N')platinum(II); NSC-215153; Platinum,5-dimethyl-1,2-benzenediamine-N,N')-, (SP-4-2)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	215153	.	.	.	.	400.17	C8H10Cl2N2Pt	2	123	.	13	2	2	0	"InChI=1S/C8H10N2.2ClH.Pt/c1-5-3-7(9)8(10)4-6(5)2;;;/h3-4,9-10H,1-2H3;2*1H;/q-2;;;+4/p-2"	CC1=CC(=C(C=C1C)[NH-])[NH-].Cl[Pt+2]Cl	DOIGLVPYOVTOIY-UHFFFAOYSA-L
DG60322	Destruxin B	428373	"Destruxin B; MLS002702090; 2503-26-6; MEGxm0_000393; .beta.-Alanine, .rho.-lactone; CHEMBL1736621; SCHEMBL22163465; ACon1_002320; DTXSID10947891; CHEBI:181259; MCULE-7133719821; NSC-236580; NCGC00169957-01; NCGC00169957-03; 16-butan-2-yl-10,11,14-trimethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone; BD162718; SMR001565659; BRD-A00124178-001-01-9; 3-(Butan-2-yl)-1,10-dihydroxy-5,8,9-trimethyl-16-(2-methylpropyl)-6-(propan-2-yl)-5,6,8,9,12,13,19,20,21,21a-decahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-4,7,14,17(3H,16H)-tetrone; NCGC00169957-03_C30H51N5O7_3-sec-Butyl-16-isobutyl-6-isopropyl-5,8,9-trimethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	236580	.	.	.	.	593.8	C30H51N5O7	145	1020	2.8	42	2	7	5	"InChI=1S/C30H51N5O7/c1-10-19(6)24-29(40)34(9)25(18(4)5)30(41)33(8)20(7)26(37)31-14-13-23(36)42-22(16-17(2)3)28(39)35-15-11-12-21(35)27(38)32-24/h17-22,24-25H,10-16H2,1-9H3,(H,31,37)(H,32,38)"	CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(C)C)C)C)C(C)C)C	GNBHVMBELHWUIF-UHFFFAOYSA-N
DG60323	NSC237106	428404	"1-N,9-N-bis(3-butan-2-yl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-2,3-dioxo-10H-phenoxazine-1,9-dicarboxamide; NSC237106; 1-N,9-N-bis(3-butan-2-yl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-2,3-dioxo-10H-phenoxazine-1,9-dicarboxamide; 23067-37-0; Desaminoactinomycin C; CHEMBL1978143; 2-Hydroxy-2-deaminoactinomycin C; 2-Hydroxy-2-desaminoactinomycin C3; 2-Hydroxy-2-desamino-actinomycin C3; Actinomycin C3 2-hydroxy-2-desamino-; NSC-237106; ACTINOMYCIN C3, 2-HYDROXY-2-DESAMINO-; Actinomycin D, 2-deamino-2A-D-alloisoleucine-2B-D-alloisoleucine-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	237106	.	.	.	.	1284.5	C64H89N11O17	346	3050	3.9	92	5	18	10	"InChI=1S/C64H89N11O17/c1-17-31(7)43-61(86)74-25-19-21-38(74)59(84)70(13)27-40(76)72(15)49(29(3)4)63(88)90-35(11)45(57(82)66-43)68-55(80)37-24-23-33(9)53-47(37)65-48-42(52(79)51(78)34(10)54(48)92-53)56(81)69-46-36(12)91-64(89)50(30(5)6)73(16)41(77)28-71(14)60(85)39-22-20-26-75(39)62(87)44(32(8)18-2)67-58(46)83/h23-24,29-32,35-36,38-39,43-46,49-50,65H,17-22,25-28H2,1-16H3,(H,66,82)(H,67,83)(H,68,80)(H,69,81)"	CCC(C)C1C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=O)C(=C5N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)CC)C)C)C(C)C)C)C)C)C(C)C)C)C	ZEMWHSHZXZVIBG-UHFFFAOYSA-N
DG60324	Ailanthinone	428489	"AILANTHINONE; 53683-73-1; (4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl) 2-methylbutanoate; NSC238187; NSC 277285; NSC-238187; CHEMBL1980182; DTXSID60968450; NSC277285; NSC-277285; 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 2-methylbutanoate; Picras-3-ene-2, 11,20-epoxy-1,11,12-trihydroxy-15-(2-methyl-1-oxobutoxy)-, (1.beta.,11.beta.,12.alpha.,15.vwr.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	238187	.	.	.	.	478.5	C25H34O9	140	975	1.1	34	3	9	4	"InChI=1S/C25H34O9/c1-6-10(2)20(29)34-17-16-12(4)18(27)25(31)22-23(5)13(11(3)7-14(26)19(23)28)8-15(33-21(17)30)24(16,22)9-32-25/h7,10,12-13,15-19,22,27-28,31H,6,8-9H2,1-5H3"	CCC(C)C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C	GCIFFNDSOLTCAI-UHFFFAOYSA-N
DG60325	"2-[3-(Dimethylamino)propylamino]-1,4-dihydroxyanthracene-9,10-dione"	428781	"3900-43-4; NSC339585; MYRA-A; 2-[3-(dimethylamino)propylamino]-1,4-dihydroxyanthracene-9,10-dione; NSC-339585; 2-((3-(dimethylamino)propyl)amino)-1,4-dihydroxyanthra-9,10-quinone; NCIStruc1_001811; NCIStruc2_001939; CHEMBL1330961; SCHEMBL13856942; DTXSID80330312; ZINC3954588; CCG-37082; NCGC00014783; NCI339585; NCGC00014783-02; NCGC00097884-01; NCI60_003008; 1,4-Dihydroxy-2-[[3-(dimethylamino)propyl]amino]-9,10-anthracenedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339585	.	.	.	.	340.4	C19H20N2O4	89.9	510	3.6	25	3	6	5	"InChI=1S/C19H20N2O4/c1-21(2)9-5-8-20-13-10-14(22)15-16(19(13)25)18(24)12-7-4-3-6-11(12)17(15)23/h3-4,6-7,10,20,22,25H,5,8-9H2,1-2H3"	CN(C)CCCNC1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O	PCIUVTQUMJMKAU-UHFFFAOYSA-N
DG60326	"1, (cis)-, Platinum sulfate complex"	429187	"Platinum,2-cyclohexanediamine-N,N')(sulfato(2-)-O,O')-, (SP-4-2)-; Platinum,2-cyclohexanediamine-N,N')[sulfato(2-)-O,O']-, (SP-4-2)-; NSC250427; NSC289542; NSC289543; NSC289544; 1, (cis)-, platinum sulfate complex; NSC-250427; NSC-289542; NSC-289543; NSC-289544; 1, (1S-trans)-, platinum sulfate complex; Platinum,2-cyclohexanediamine-N,N')(sulfato(2-)-O,O')-,[SP-4-3-(cis)]-; Platinum,2-cyclohexanediamine-N,N')[sulfato(2-)-O,O']-, [SP-4-2-(1R-trans)]-; Platinum,2-cyclohexanediamine-N,N')sulfato(2-)-O,O']-, (SP-4-2) (1S-trans)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	250427	.	.	.	.	405.34	C6H14N2O4PtS	85	211	.	14	4	6	0	"InChI=1S/C6H12N2.H2O4S.Pt/c7-5-3-1-2-4-6(5)8;1-5(2,3)4;/h5-8H,1-4H2;(H2,1,2,3,4);/q-2;;+2"	C1CCC(C(C1)[NH-])[NH-].OS(=O)(=O)O.[Pt+2]	IGQTWWNTYQYGTM-UHFFFAOYSA-N
DG60327	2-(3-Hydroxyadamantan-1-yl)acetic acid	429307	"17768-36-4; 2-(3-hydroxyadamantan-1-yl)acetic acid; (3-Hydroxy-adamantan-1-yl)-acetic acid; 2-(3-hydroxy-1-adamantyl)acetic acid; (3-hydroxy-1-adamantyl)acetic acid; 3-Hydroxy-1-adamantaneacetic acid; NSC252898; Tricyclo[3.3.1.13,7]decane-1-acetic acid, 3-hydroxy-; (3-hydroxytricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid; 1-Hydroxy-3-adamantaneacetic acid; MFCD00167797; NSC-252898; 1-Adamantaneacetic acid, 3-hydroxy-; Enamine_000851; Cambridge id 5156878; Oprea1_388510; Oprea1_592442; SCHEMBL1788313; CHEMBL1977054; SCHEMBL15492493; 3-Hydroxyadamantane-1acetic acid; 3-hydroxy-1-adamantylacetic acid; DTXSID90330404; HMS1396G15; 3-Hydroxy-1- adamantaneacetic acid; ALBB-007393; BBL010351; STK500420; Tricyclo[3.3.1.13, 3-hydroxy-; 1-(Carboxymethyl)-3-hydroxyadamantane; 3-Hydroxy-1-(carboxymethyl)adamantane; AKOS000264701; AKOS016313886; 3-Hydroxy-adamantan-1-yl)-acetic acid; DS-3615; MCULE-4032148565; SDCCGMLS-0064531.P001; DB-019104; FT-0602243; H1414; EN300-14225; VU0006436-2; A881450; AE-641/02393056; SR-01000389487; SR-01000389487-1; Z56778851; F3052-0016; (3-Hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl)acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	252898	.	.	.	.	210.27	C12H18O3	57.5	296	1.6	15	2	3	2	"InChI=1S/C12H18O3/c13-10(14)6-11-2-8-1-9(3-11)5-12(15,4-8)7-11/h8-9,15H,1-7H2,(H,13,14)"	C1C2CC3(CC1CC(C2)(C3)O)CC(=O)O	JFMDWSCOQLUOCZ-UHFFFAOYSA-N
DG60328	Gnidimacrin (G-1)	429314	Gnidimacrin (G-1); CHEMBL1995328; NSC252940; NSC-252940	.	.	Investigative Drug(s)	Investigative	Small molecular drug	252940	.	.	.	.	774.9	C44H54O12	174	1540	6	56	4	12	9	"InChI=1S/C44H54O12/c1-24(2)40-21-29(22-51-37(47)27-16-10-7-11-17-27)43-32-35(40)54-44(55-40,56-43)30(46)20-14-6-5-9-15-25(3)31-26(4)34(52-38(48)28-18-12-8-13-19-28)42(50,33(31)43)39(49)41(23-45)36(32)53-41/h7-8,10-13,16-19,25-26,29-36,39,45-46,49-50H,1,5-6,9,14-15,20-23H2,2-4H3"	CC1CCCCCCC(C23OC4C5C6C(O6)(C(C7(C(C1C(C7OC(=O)C8=CC=CC=C8)C)C5(O2)C(CC4(O3)C(=C)C)COC(=O)C9=CC=CC=C9)O)O)CO)O	SSXCVTWCXHGTLK-UHFFFAOYSA-N
DG60329	ab-Dichloro-ce-dihydroxy-df-bis(isopropylamine)platinum	429536	ab-Dichloro-ce-dihydroxy-df-bis(isopropylamine)platinum; dichloroplatinum(2+);propan-2-ylazanide;dihydrate; NSC256927; dichlorodihydroxy-bis-(isop-ropylamine) platinum	.	.	Investigative Drug(s)	Investigative	Small molecular drug	256927	.	.	.	.	418.22	C6H20Cl2N2O2Pt	4	55.9	.	13	4	4	0	"InChI=1S/2C3H8N.2ClH.2H2O.Pt/c2*1-3(2)4;;;;;/h2*3-4H,1-2H3;2*1H;2*1H2;/q2*-1;;;;;+4/p-2"	CC(C)[NH-].CC(C)[NH-].O.O.Cl[Pt+2]Cl	BVIQRWGFXPAYEV-UHFFFAOYSA-L
DG60330	Bouvardin	429598	"Bouvardin; 64755-14-2; MLS002703036; NSC259968; NSC 259968; 17,24-dihydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone; NSC-259968; Neuro_000123; SCHEMBL8739404; CHEMBL1736316; DTXSID30983377; SMR001566844; From fraction F049 of Bouvardia ternifolia; Cyclic(D-alanyl-L-alanyl-N, cyclic(54.fwdarw.63)-ether, (S)-; (S)-Cyclic(D-alanyl-L-alanyl-N,O-dimethyl-L-tyrosyl-L-alanyl-.beta.-hydroxy-N-methyl-L-tyrosyl-3-hydroxy-N-methyl-L-tyrosyl) cyclic (54.fwdarw.63)-ether; 17,24-dihydroxy-10-(4-methoxybenzyl)-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2~18,21~.1~23,27~]tritriaconta-18,20,23(31),24,26,32-hexaene-2,5,8,11,14,30-hexone; 2,5,11,17,24-Pentahydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2~18,21~.1~23,27~]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,1; 22-Oxa-3,9,12,15,29-hexaazatetracyclo[14.12.2.218,2-1.123,27]tritriacontane, cyclic peptide deriv."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	259968	.	.	.	.	772.8	C40H48N6O10	207	1430	1.9	56	5	10	3	"InChI=1S/C40H48N6O10/c1-21-35(49)42-22(2)38(52)44(4)29(18-24-8-13-27(55-7)14-9-24)37(51)43-23(3)39(53)46(6)33-34(48)26-11-15-28(16-12-26)56-32-20-25(10-17-31(32)47)19-30(36(50)41-21)45(5)40(33)54/h8-17,20-23,29-30,33-34,47-48H,18-19H2,1-7H3,(H,41,50)(H,42,49)(H,43,51)"	CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2C(C3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)O)C)C)CC5=CC=C(C=C5)OC)C)C	TWOWSRSKGJSZHZ-UHFFFAOYSA-N
DG60331	Deoxybouvardin	429599	"Deoxybouvardin; MLS002703037; NSC259969; 64725-24-2; SMR001566845; 24-hydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone; NSC-259969; cid_429599; SCHEMBL8738058; CHEMBL1705256; BDBM93501; DTXSID60983360; 2,5,11,24-Tetrahydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2~18,21~.1~23,27~]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,3; 22-Oxa-3,9,12,15,29-hexaazatetracyclo[14.12.2.218,21.123,27]tritriacontane, cyclic peptide deriv.; 24-hydroxy-10-(4-methoxybenzyl)-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2~18,21~.1~23,27~]tritriaconta-18,20,23(31),24,26,32-hexaene-2,5,8,11,14,30-hexone; 4-Hydroxy-12,15,17,21,23-pentamethyl-18-(4-methoxybenzyl)-7,3-metheno-9,24-[(methylimino)carbonyl]-2-oxa-11,14,17,20,23-pentaazabicyclo[24.2.2]triacontane-1(28),4,6,26,29-pentaene-10,13,16,19,22-pentaone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	259969	.	.	.	.	756.8	C40H48N6O9	187	1400	3	55	4	9	3	"InChI=1S/C40H48N6O9/c1-22-35(48)42-23(2)38(51)44(4)30(18-25-8-13-28(54-7)14-9-25)37(50)43-24(3)39(52)46(6)32-19-26-10-15-29(16-11-26)55-34-21-27(12-17-33(34)47)20-31(36(49)41-22)45(5)40(32)53/h8-17,21-24,30-32,47H,18-20H2,1-7H3,(H,41,49)(H,42,48)(H,43,50)"	CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)C)C)CC5=CC=C(C=C5)OC)C)C	VXVGFMUNENQGFW-UHFFFAOYSA-N
DG60332	"L-Leucine, ester, hydrochloride (2:3)"	429865	"NSC266068; CHEMBL1991621; NSC-266068; L-Leucine, ester, hydrochloride (2:3); L-Leucine, ethyl ester, hydrochloride (2:3)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	266068	.	.	.	.	446.4	C21H33Cl2N3O3	84.7	480	2.9	29	2	5	14	"InChI=1S/C21H33Cl2N3O3/c1-4-29-21(28)19(13-15(2)3)25-20(27)18(24)14-16-5-7-17(8-6-16)26(11-9-22)12-10-23/h5-8,15,18-19H,4,9-14,24H2,1-3H3,(H,25,27)"	CCOC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)N	OYMBDLNBTYXPKH-UHFFFAOYSA-N
DG60333	"10-Hydroxy-5-methoxy-1-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]xanthen-6-one"	429905	"Psorspermin; NSC266491; Neuro_000128; CHEMBL1978813; NSC-266491; 10-hydroxy-5-methoxy-1-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]xanthen-6-one; 6H-Furo[2, 1,2-dihydro-10-hydroxy- 5-methoxy-2-(2-methyloxiranyl)-; 6H-Furo[2,3-c]xanthen-6-one, 1,2-dihydro-10-hydroxy-5-methoxy-1-(2-methyloxiranyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	266491	.	.	.	.	340.3	C19H16O6	77.5	566	2.3	25	1	6	2	"InChI=1S/C19H16O6/c1-19(8-24-19)10-7-23-13-6-12(22-2)15-16(21)9-4-3-5-11(20)17(9)25-18(15)14(10)13/h3-6,10,20H,7-8H2,1-2H3"	CC1(CO1)C2COC3=CC(=C4C(=C23)OC5=C(C4=O)C=CC=C5O)OC	MHXHBIQQHVEKNK-UHFFFAOYSA-N
DG60334	Di-n-octyl-secalonsaure A	430141	"NSC268925; Di-n-octyl-secalonsaure A; Di-n-octylsecolonic acid A; CHEMBL1991962; SECALONSAURE A, DI-N-OCTYL-; NSC-268925"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	268925	.	.	.	.	834.9	C46H58O14	227	1520	9.9	60	6	14	19	"InChI=1S/C46H58O14/c1-5-7-9-11-13-15-21-57-43(55)45-35(29(47)23-25(3)41(45)53)39(51)33-31(59-45)19-17-27(37(33)49)28-18-20-32-34(38(28)50)40(52)36-30(48)24-26(4)42(54)46(36,60-32)44(56)58-22-16-14-12-10-8-6-2/h17-20,25-26,41-42,49-54H,5-16,21-24H2,1-4H3"	CCCCCCCCOC(=O)C12C(C(CC(=O)C1=C(C3=C(O2)C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)O)C(=O)OCCCCCCCC)O)O)C)O	XGOCLYVULCACOE-UHFFFAOYSA-N
DG60335	NSC270718	430297	"1,4,5,6,7,16,17,18,19,19,20,20-Dodecachloro-12-sulfohexacyclo[14.2.1.1^{4,7}.0^{2,15}.0^{3,8}.0^{9,14}]icosa-5,9(14),10,12,17-pentaene-11-carboxylic acid; NSC-270718; NSC270718; CHEMBL401844; 1755-58-4; Probes1_000079; Probes1_000289; Probes2_000235; Probes2_000249; BCC-8; DTXSID80938670; BDBM50198305; 1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-sulfo-1,4:5,8-dimethanotriphenylene-10-carboxylic acid; 1,2,3,4,5,6,7,8,13,13,14,14-Dodecachloro-11-sulfo-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene-10-carboxylic acid; 1,4,5,6,7,16,17,18,19,19,20,20-dodecachloro-12-sulfohexacyclo[14.2.1.1^{4,7}.0^{2,15}.0^{3,8}.0^{9,14}]icosa-5,9(14),10,12,17-pentaene-11-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	270718	.	.	.	.	797.8	C21H8Cl12O5S	100	1410	6.1	39	2	5	2	"InChI=1S/C21H8Cl12O5S/c22-11-13(24)18(28)9-7(16(11,26)20(18,30)31)3-1-5(15(34)35)6(39(36,37)38)2-4(3)8-10(9)19(29)14(25)12(23)17(8,27)21(19,32)33/h1-2,7-10H,(H,34,35)(H,36,37,38)"	C1=C2C3C(C4C(C2=CC(=C1C(=O)O)S(=O)(=O)O)C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl	QCIIYEDWVXHYTF-UHFFFAOYSA-N
DG60336	NSC275647	430459	"3,5,12-Trihydroxy-10-methoxy-3-(methoxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-naphthacenyl 3-amino-2,3,6-trideoxyhexopyranoside; NSC275647; 66678-33-9; NSC 275647; Neuro_000140; SCHEMBL20801118; 3,5,12-Trihydroxy-10-methoxy-3-(methoxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-naphthacenyl 3-amino-2,3,6-trideoxyhexopyranoside; 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(methoxyacetyl)-, hydrochloride, (8S-cis)-; 7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-(2-methoxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	275647	.	.	.	.	557.5	C28H31NO11	195	993	1.3	40	5	12	6	"InChI=1S/C28H31NO11/c1-11-23(31)14(29)7-18(39-11)40-16-9-28(36,17(30)10-37-2)8-13-20(16)27(35)22-21(25(13)33)24(32)12-5-4-6-15(38-3)19(12)26(22)34/h4-6,11,14,16,18,23,31,33,35-36H,7-10,29H2,1-3H3"	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC)O)N)O	KHXUHAHJGPAIOL-UHFFFAOYSA-N
DG60337	(2-Azanidylcyclohexyl)azanide;tetrachloroplatinum(2+)	430475	"(2-Azanidylcyclohexyl)azanide;tetrachloroplatinum(2+); NSC363813; Neuro_000201; NSC276017; NSC363811; NSC363814; NSC-363811; NSC-363813; NSC-363814; Platinum,2-cyclohexanediamine-N,N')-, (OC-6-22)-; Platinum,2-cyclohexanediamine-N,N')-, [OC-6-32-(cis)]-; Platinum,2-cyclohexanediamine-N,N')-, (OC-6-22-(trans))-; Platinum,2-cyclohexanediamine-N,N')-, [OC-6-22-(1R-trans)]-; Platinum,2-cyclohexanediamine-N,N')-, [OC-6-22-(1S-trans)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	363811	.	.	.	.	449.1	C6H12Cl4N2Pt	2	125	.	13	2	2	0	"InChI=1S/C6H12N2.4ClH.Pt/c7-5-3-1-2-4-6(5)8;;;;;/h5-8H,1-4H2;4*1H;/q-2;;;;;+6/p-4"	C1CCC(C(C1)[NH-])[NH-].Cl[Pt+2](Cl)(Cl)Cl	KVFQUEDZECDHKS-UHFFFAOYSA-J
DG60338	"Platinum,2-cyclohexanediamine-N,N')(tetraoxoselenato(2-)-O)-, (SP-4-3)-"	430708	"Platinum,2-cyclohexanediamine-N,N')(tetraoxoselenato(2-)-O)-, (SP-4-3)-; Platinum,2-cyclohexanediamine-N,N')[tetraoxoselenato(2-)-O]-, (SP-4-3)-; NSC281279; NSC-281279"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281279	.	.	.	.	470.26	C6H16N2O5PtSe	77.6	220	.	15	5	7	0	"InChI=1S/C6H12N2.H2O4Se.H2O.Pt/c7-5-3-1-2-4-6(5)8;1-5(2,3)4;;/h5-8H,1-4H2;(H2,1,2,3,4);1H2;/q-2;;;+2"	C1CCC(C(C1)[NH-])[NH-].O.O[Se](=O)(=O)O.[Pt+2]	DMXMBTAHRTWRPM-UHFFFAOYSA-N
DG60339	"(9,15,19-Trihydroxy-12-methyl-6-methylidene-7-oxo-14-oxapentacyclo[10.3.3.15,8.01,11.02,8]nonadecan-3-yl) acetate"	430839	"EN 589; NSC282159; 59859-99-3; CHEMBL2005815; DTXSID50330602; NSC-282159; Kaur-16-en-15-one,20-epoxy-7,14,20-trihydroxy-, (4.alpha.,7.alpha.,11.beta.,14R,20R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	282159	.	.	.	.	406.5	C22H30O7	113	794	0.7	29	3	7	2	"InChI=1S/C22H30O7/c1-10-12-7-13(29-11(2)23)16-21-6-4-5-20(3,9-28-19(21)27)14(21)8-15(24)22(16,17(10)25)18(12)26/h12-16,18-19,24,26-27H,1,4-9H2,2-3H3"	CC(=O)OC1CC2C(C3(C1C45CCCC(C4CC3O)(COC5O)C)C(=O)C2=C)O	NQZSVTDLNDFMMM-UHFFFAOYSA-N
DG60340	6alpha-Senecioyloxychaparrinone	431194	"NSC-290494; 68499-52-5; Neuro_000145; CHEMBL1964489; DTXSID60988153; CHAPARRINONE, 6A-SENECIOYLOXY; 6.ALPHA.-SENECIOYLOXYCHAPARRINONE; 2H-1,1-bc]pyran, picras-3-ene-2,16-dione deriv.; 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-6-yl 3-methylbut-2-enoate; Picras-3-ene-2, 11,20-epoxy-1,11,12-trihydroxy-6-[(3-methyl-1-oxo-2-butenyl)oxy]-; Picras-3-ene-2, 11,20-epoxy-1,11,12-trihydroxy-6-[(3-methyl-1-oxo-2-butenyl)oxy]-, (1.beta.,6.alpha.,11.beta.,12.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	290494	.	.	.	.	476.5	C25H32O9	140	1030	0.7	34	3	9	3	"InChI=1S/C25H32O9/c1-10(2)6-15(27)33-18-17-11(3)7-14(26)20(30)23(17,5)22-24-9-32-25(22,31)19(29)12(4)13(24)8-16(28)34-21(18)24/h6-7,12-13,17-22,29-31H,8-9H2,1-5H3"	CC1C2CC(=O)OC3C24COC(C1O)(C4C5(C(C3OC(=O)C=C(C)C)C(=CC(=O)C5O)C)C)O	JLEOCIUEZOZFST-UHFFFAOYSA-N
DG60341	"5-[(3-Carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid;(1,4,5,6,7,7-hexachloro-2-bicyclo[2.2.1]hept-5-enyl)methanamine"	431216	"Benzoic acid,3'-methylenebis(6-hydroxy-, compd. with 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2-methanamine (1:2); Benzoic acid,3'-methylenebis[6-hydroxy-, compd. with 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2-methanamine (1:2); NSC290555; NSC-290555"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	290555	.	.	.	.	618.1	C23H19Cl6NO6	141	713	.	36	5	7	5	"InChI=1S/C15H12O6.C8H7Cl6N/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21;9-4-5(10)7(12)3(2-15)1-6(4,11)8(7,13)14/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21);3H,1-2,15H2"	C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CN.C1=CC(=C(C=C1CC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O	DHPTXSLYOSXGAH-UHFFFAOYSA-N
DG60342	"6,9-Dihydroxybenzo[g]isoquinoline-5,10-dione"	431317	"4589-37-1; 6,9-Dihydroxybenzo[g]isoquinoline-5,10-dione; NSC291926; 6,9-Dihydroxybenzo(g)isoquinoline-5,10-dione; NSC 291926; SCHEMBL8541784; CHEMBL1989002; DTXSID30963457; ZINC1565890; NSC-291926; NCI60_002401"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	291926	.	.	.	.	241.2	C13H7NO4	87.5	383	2.2	18	2	5	0	"InChI=1S/C13H7NO4/c15-8-1-2-9(16)11-10(8)12(17)6-3-4-14-5-7(6)13(11)18/h1-5,15-16H"	C1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C=NC=C3)O	FQKWIZGNBZNVIS-UHFFFAOYSA-N
DG60343	Chloroplatinum(1+);2-(4-methylpiperidin-1-yl)ethanethiolate;dihydrate	431390	NSC292596	.	.	Investigative Drug(s)	Investigative	Small molecular drug	292596	.	.	.	.	424.85	C8H20ClNO2PtS	6.2	105	.	14	2	4	2	"InChI=1S/C8H17NS.ClH.2H2O.Pt/c1-8-2-4-9(5-3-8)6-7-10;;;;/h8,10H,2-7H2,1H3;1H;2*1H2;/q;;;;+2/p-2"	CC1CCN(CC1)CC[S-].O.O.Cl[Pt+]	OWRHRYKPVVLQMV-UHFFFAOYSA-L
DG60344	NSC292685	431398	"7-[4-(decylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; NSC292685; Neuro_000148; CHEMBL2010508; NCI60_002415; 5,12-Naphthacenedione, 10-[[3-(decylamino)-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]oxy]-8-(1,2-dihydroxyethyl)- 7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-; 7-[4-(decylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	292685	.	.	.	.	685.8	C37H51NO11	195	1090	6.3	49	7	12	15	"InChI=1S/C37H51NO11/c1-4-5-6-7-8-9-10-11-15-38-23-16-27(48-20(2)32(23)41)49-25-18-37(46,26(40)19-39)17-22-29(25)36(45)31-30(34(22)43)33(42)21-13-12-14-24(47-3)28(21)35(31)44/h12-14,20,23,25-27,32,38-41,43,45-46H,4-11,15-19H2,1-3H3"	CCCCCCCCCCNC1CC(OC(C1O)C)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(CO)O)O	DOGXVRNDXNVZFB-UHFFFAOYSA-N
DG60345	"Carbamimidothioic acid, (4-oxo-2-phenyl-4H-1-benzopyran-8-yl)methyl ester, monohydrobromide"	431425	"NSC293046; NSC-293046; (4-Oxo-2-phenyl-4H-chromen-8-yl)methyl imidothiocarbamate; Probes1_000260; Probes2_000302; NCIStruc1_001890; NCIStruc2_001595; CHEMBL1374763; ZINC3954531; CCG-37366; NCGC00014652; NCI293046; NCGC00014652-02; NCGC00014652-03; NCGC00097755-01; NCGC00097755-02; 2-[(4-oxo-2-phenyl-chromen-8-yl)methyl]isothiourea; Carbamimidothioic acid, (4-oxo-2-phenyl-4H-1-benzopyran-8-yl)methyl ester, monohydrobromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	293046	.	.	.	.	310.4	C17H14N2O2S	102	471	3.3	22	2	4	4	"InChI=1S/C17H14N2O2S/c18-17(19)22-10-12-7-4-8-13-14(20)9-15(21-16(12)13)11-5-2-1-3-6-11/h1-9H,10H2,(H3,18,19)"	C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC(=C3O2)CSC(=N)N	GMHJYNAZNWGOAK-UHFFFAOYSA-N
DG60346	"7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline"	431464	"62402-01-1; D 2928; BRN 1235007; 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline; Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholino-; CHEMBL1980885; DTXSID90977979; NSC293895; NSC-293895; 7-[3-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-8-morpholinotheophyline; 7-(3-{[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}propyl)-1,3-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	293895	.	.	.	.	474.5	C22H30N6O6	144	724	-0.4	34	4	9	8	"InChI=1S/C22H30N6O6/c1-25-19-18(20(32)26(2)22(25)33)28(21(24-19)27-8-10-34-11-9-27)7-3-6-23-13-17(31)14-4-5-15(29)16(30)12-14/h4-5,12,17,23,29-31H,3,6-11,13H2,1-2H3"	CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCCNCC(C4=CC(=C(C=C4)O)O)O	XTDJYRRJDWTRSJ-UHFFFAOYSA-N
DG60347	Bleomycin-BAPP	431594	Bleomycin bapp; Bleomycin-BAPP; NSC294979; BLM-BAPP sulfate Cu-free; BAPP bleomycin (copper free); CHEMBL2003008; NSC-294979	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294979	.	.	.	.	1580.7	C60H97N19O25S3	791	2760	.	107	24	37	43	"InChI=1S/C60H95N19O21S2.H2O4S/c1-6-7-11-66-12-8-13-67-14-9-15-69-53(91)32-22-102-57(75-32)33-23-101-37(74-33)10-16-70-54(92)39(28(5)82)77-52(90)26(3)41(84)27(4)73-56(94)40(78-55(93)38-25(2)49(63)79-51(76-38)30(17-36(62)83)71-18-29(61)50(64)89)46(31-19-68-24-72-31)98-59-48(44(87)42(85)34(20-80)97-59)99-58-45(88)47(100-60(65)95)43(86)35(21-81)96-58;1-5(2,3)4/h19,22-24,26-30,34-35,39-48,58-59,66-67,71,80-82,84-88H,6-18,20-21,61H2,1-5H3,(H2,62,83)(H2,64,89)(H2,65,95)(H,68,72)(H,69,91)(H,70,92)(H,73,94)(H,77,90)(H,78,93)(H2,63,76,79);(H2,1,2,3,4)"	CCCCNCCCNCCCNC(=O)C1=CSC(=N1)C2=CSC(=N2)CCNC(=O)C(C(C)O)NC(=O)C(C)C(C(C)NC(=O)C(C(C3=CN=CN3)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)OC(=O)N)O)NC(=O)C6=C(C(=NC(=N6)C(CC(=O)N)NCC(C(=O)N)N)N)C)O.OS(=O)(=O)O	VDJLTERWGFKNII-UHFFFAOYSA-N
DG60348	Pyrodelphinine	431677	"PYRODELPHININE; Pyrodelphonine 14-benzoate; 60050-12-6; NSC295661; 13-Hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconit-8(15)-en-14-yl benzoate; NSC 295661; CHEMBL1982516; DTXSID60975482; NSC-295661; Aconitane-13, 8,15-didehydro-1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 14-benzoate, (1.alpha.,6.alpha.,14.alpha.,16.beta.)-; Aconitane-13,14-diol, 8,15-didehydro-1,6, 16-trimethoxy-4-(methoxymethyl)-20-methyl-, 14-benzoate, (1.alpha.,6.alpha.,14.alpha.,16.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295661	.	.	.	.	539.7	C31H41NO7	86.7	1030	1.5	39	1	8	8	"InChI=1S/C31H41NO7/c1-32-15-29(16-35-2)12-11-20(36-3)31-19-14-30(34)21(37-4)13-18(23(26(31)32)24(38-5)25(29)31)22(19)27(30)39-28(33)17-9-7-6-8-10-17/h6-10,13,19-27,34H,11-12,14-16H2,1-5H3"	CN1CC2(CCC(C34C2C(C(C31)C5=CC(C6(CC4C5C6OC(=O)C7=CC=CC=C7)O)OC)OC)OC)COC	LFJVGOYFLDASBE-UHFFFAOYSA-N
DG60349	"1-[4-(4-Nitrophenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium"	431958	"NSC301189; CHEMBL2009215; 1-[4-(4-nitrophenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium; ZINC5574403; NCI60_002525; Piperidinium, {1-[4-(4-nitrophenyl)-1,3-dithiol-2-ylidene]-,} sulfate (1:1); Piperidinium, 1-[4-(4-nitrophenyl)-1,3-dithiol-2-ylidene]-, sulfate (1:1); Sulfuric acid compound with 1-(4-(4-(hydroxy(oxido)amino)phenyl)-1,3-dithiol-2-ylidene)-1lambda~5~-piperidine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	301189	.	.	.	.	307.4	C14H15N2O2S2+	99.4	441	3.4	20	0	4	1	"InChI=1S/C14H15N2O2S2/c17-16(18)12-6-4-11(5-7-12)13-10-19-14(20-13)15-8-2-1-3-9-15/h4-7,10H,1-3,8-9H2/q+1"	C1CC[N+](=C2SC=C(S2)C3=CC=C(C=C3)[N+](=O)[O-])CC1	JTFREJQYWGWQFW-UHFFFAOYSA-N
DG60350	Trichopolyn	431962	NSC301460; TRICHOPOLYN-B; Trichopolyn; CHEMBL1992930; NSC-301460	.	.	Investigative Drug(s)	Investigative	Small molecular drug	301460	.	.	.	.	1188.6	C61H109N11O12	314	2290	5.4	84	9	13	34	"InChI=1S/C61H109N11O12/c1-19-22-23-24-25-26-28-39(6)52(79)71-30-27-29-45(71)53(80)72-43(35-44(74)21-3)33-37(4)34-46(72)50(77)63-41(8)48(75)66-61(16,17)57(84)69-59(12,13)55(82)65-47(38(5)20-2)51(78)64-42(9)49(76)67-60(14,15)56(83)68-58(10,11)54(81)62-40(7)36-70(18)31-32-73/h37-43,45-47,73H,19-36H2,1-18H3,(H,62,81)(H,63,77)(H,64,78)(H,65,82)(H,66,75)(H,67,76)(H,68,83)(H,69,84)"	CCCCCCCCC(C)C(=O)N1CCCC1C(=O)N2C(CC(CC2C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)CN(C)CCO)C)CC(=O)CC	DAWXCYYFNBEVJN-UHFFFAOYSA-N
DG60351	"[5,13-Dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl 2-aminoacetate"	432118	Aphidicolin glycinate; NSC303812; 92803-82-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	303812	.	.	.	.	395.5	C22H37NO5	113	642	2.2	28	4	6	5	"InChI=1S/C22H37NO5/c1-19(12-24)16-4-3-14-9-15-10-21(14,20(16,2)6-5-17(19)25)7-8-22(15,27)13-28-18(26)11-23/h14-17,24-25,27H,3-13,23H2,1-2H3"	CC12CCC(C(C1CCC3C24CCC(C(C3)C4)(COC(=O)CN)O)(C)CO)O	IOASYARYEYRREA-UHFFFAOYSA-N
DG60352	Leurosine N-oxide	432153	"Leurosine N-oxide; NSC304421; LEUROSINE-N-OXIDE; CHEMBL1972508; NSC-304421; Vincaleukoblastine,4'-epoxy-, 6'-oxide, (3'.alpha.,4'.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	304421	.	.	.	.	825	C46H56N4O10	161	1800	3.2	60	2	12	10	"InChI=1S/C46H56N4O10/c1-8-42-16-12-18-49-19-17-44(37(42)49)30-21-31(34(56-5)22-33(30)48(4)38(44)46(54,41(53)58-7)39(42)59-26(3)51)45(40(52)57-6)23-27-24-50(55,25-43(9-2)36(27)60-43)20-15-29-28-13-10-11-14-32(28)47-35(29)45/h10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3"	CCC12C[N+]3(CCC4=C(C(CC(C3)C1O2)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C41)[O-]	JTXQOORWDLJELA-UHFFFAOYSA-N
DG60353	"(3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl imidothiocarbamate"	432556	"NSC310342; NSC-310342; Maybridge3_000984; NCIStruc1_001892; NCIStruc2_001389; CHEMBL1562612; SCHEMBL15176837; ZINC137780; CCG-37126; NCGC00014704; NCI310342; AKOS014545857; MCULE-8027722361; IDI1_012371; NCGC00014704-02; NCGC00097806-01; NCI60_002670; (3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl imidothiocarbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	310342	.	.	.	.	268.72	C10H9ClN4OS	114	273	2.2	17	2	5	4	"InChI=1S/C10H9ClN4OS/c11-7-3-1-6(2-4-7)9-14-8(16-15-9)5-17-10(12)13/h1-4H,5H2,(H3,12,13)"	C1=CC(=CC=C1C2=NOC(=N2)CSC(=N)N)Cl	FOAONBQCGRKHOS-UHFFFAOYSA-N
DG60354	"5,11-dimethyl-2-(2-(1-piperidinyl)ethyl)-6H-25-pyrido[4,3-b]carbazol-9-ol acetate"	432607	"NSC311153; NSC-311153; CCG-35582; CCG-37633; NCGC00014713; NCI311153; NCGC00097814-01; 5,11-dimethyl-2-(2-(1-piperidinyl)ethyl)-6H-25-pyrido[4,3-b]carbazol-9-ol acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	311153	.	.	.	.	434.5	C26H32N3O3+	80.4	567	.	32	3	4	3	"InChI=1S/C24H27N3O.C2H4O2/c1-16-21-15-27(13-12-26-9-4-3-5-10-26)11-8-19(21)17(2)24-23(16)20-14-18(28)6-7-22(20)25-24;1-2(3)4/h6-8,11,14-15,28H,3-5,9-10,12-13H2,1-2H3;1H3,(H,3,4)/p+1"	CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C)CCN5CCCCC5.CC(=O)O	KCZFREYKTLNWQR-UHFFFAOYSA-O
DG60355	"L-Aspartic acid, platinum complex"	432803	"NSC328005; L-Aspartic acid, platinum complex; 80205-24-9; Platinate(2-),2-cyclohexanediamine-N,N')(N-(phosphonoacetyl)-L-aspartato(4-)-O1,O4)-, dihydrogen, (SP-4-3)-; Platinate(2-),2-cyclohexanediamine-N,N')[N-(phosphonoacetyl)-L-aspartato(4-)-O1,O4]-, dihydrogen, (SP-4-3)-; NSC314926; L-Aspartic acid, N-(phosphonoacetyl)-, platinum complex; NSC-314926; Platinate(2-),2-cyclohexanediamine-N,N')(N-phosphonoacetyl)-L-aspartato(4-)-O1,O4)-, sodium hydrogen; Platinate(2-),2-cyclohexanediamine-N,N')[N-(phosphonoacetyl)-L-aspartato(4-)-O(1),O(4)]-, dihydrogen; Platinate(2-),2-cyclohexanediamine-N,N')[N-(phosphonoacetyl)-L-aspartato(4-)-O1,O4]-, sodium hydrogen, (SP-4-3)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328005	.	.	.	.	562.38	C12H22N3O8PPt	163	491	.	25	7	10	3	"InChI=1S/C6H12N2.C6H10NO8P.Pt/c7-5-3-1-2-4-6(5)8;8-4(2-16(13,14)15)7-3(6(11)12)1-5(9)10;/h5-8H,1-4H2;3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)(H2,13,14,15);/q-2;;+2"	C1CCC(C(C1)[NH-])[NH-].C(C(C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O.[Pt+2]	LDQZTUSAPZHDLA-UHFFFAOYSA-N
DG60356	"Butyric acid, rhodium salt (4:2)"	432833	"56281-34-6; Butyric acid, rhodium salt (4:2); NSC315626; NSC-315626"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	315626	.	.	.	.	558.23	C16H32O8Rh2	149	272	.	26	4	8	8	"InChI=1S/4C4H8O2.2Rh/c4*1-2-3-4(5)6;;/h4*2-3H2,1H3,(H,5,6);;"	CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.[Rh].[Rh]	HMFZFIIUKKSJJD-UHFFFAOYSA-N
DG60357	"1,4-Dihydroxy-2-[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione"	432861	"NSC316158; NSC-316158; CHEMBL1161925; ZINC5390383; 1,4-dihydroxy-2-[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione; NCI60_002718; 1,4-Dihydroxy-2-((3-((2-hydroxyethyl)amino)propyl)amino)anthra-9,10-quinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	316158	.	.	.	.	356.4	C19H20N2O5	119	514	3	26	5	7	7	"InChI=1S/C19H20N2O5/c22-9-8-20-6-3-7-21-13-10-14(23)15-16(19(13)26)18(25)12-5-2-1-4-11(12)17(15)24/h1-2,4-5,10,20-23,26H,3,6-9H2"	C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)O)NCCCNCCO)O	VKQCDUDECMFRJO-UHFFFAOYSA-N
DG60358	Oridonin (thiol adduct OF)	432952	NSC319730; CHEMBL1971699; ORIDONIN (THIOL ADDUCT OF); NSC-319730	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319730	.	.	.	.	496.7	C27H44O6S	133	804	3.2	34	4	7	8	"InChI=1S/C27H44O6S/c1-4-5-6-7-8-13-34-14-17-16-9-10-18-25-15-33-27(32,26(18,21(16)29)22(17)30)23(31)20(25)24(2,3)12-11-19(25)28/h16-21,23,28-29,31-32H,4-15H2,1-3H3"	CCCCCCCSCC1C2CCC3C45COC(C3(C2O)C1=O)(C(C4C(CCC5O)(C)C)O)O	SAHCNJNBEXQOTH-UHFFFAOYSA-N
DG60359	Rohituka 7	433158	Rohituka 7; TRICHILIA DREGEANA (SEEDS - SUBSTANCE UN4); NSC324051; Substance UN4; CHEMBL1979898; NSC-324051	.	.	Investigative Drug(s)	Investigative	Small molecular drug	324051	.	.	.	.	672.7	C35H44O13	185	1380	2.9	48	2	13	11	"InChI=1S/C35H44O13/c1-8-18(2)28(40)31(41)47-30-29(45-17-36)27(32(5)11-9-25(38)48-33(6)16-44-26(39)14-23(32)33)19(3)35(42)24(46-20(4)37)13-22(34(30,35)7)21-10-12-43-15-21/h9-12,15,17-18,22-24,27-30,40,42H,3,8,13-14,16H2,1-2,4-7H3"	CCC(C)C(C(=O)OC1C(C(C(=C)C2(C1(C(CC2OC(=O)C)C3=COC=C3)C)O)C4(C=CC(=O)OC5(C4CC(=O)OC5)C)C)OC=O)O	ZZPUDABJUQWRTM-UHFFFAOYSA-N
DG60360	"5,6-Epxoyphysalin B"	433531	"Physalin F; 5.beta.,6.beta.-epoxyphysalin B; 5,6-Epxoyphysalin B; PHYSALIN B 5,6-EPOXIDE; NSC332595; NSC661115; EPOXYPHYSALIN,6A-; 5,6-Epoxide of Physalin B; CHEMBL1979392; 57423-71-9; 5.alpha.,6.alpha.-Epoxyphysalin B; NSC336815; NSC-332595; NSC-336815"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332595	.	.	.	.	526.5	C28H30O10	138	1340	0.1	38	1	10	0	"InChI=1S/C28H30O10/c1-22-10-17-24(3)28-18(22)19(30)27(38-28,34-11-14(22)20(31)35-17)13-9-16-26(36-16)7-4-5-15(29)23(26,2)12(13)6-8-25(28,33)21(32)37-24/h4-5,12-14,16-18,33H,6-11H2,1-3H3"	CC12CC3C4(C56C1C(=O)C(O5)(C7CC8C9(O8)CC=CC(=O)C9(C7CCC6(C(=O)O4)O)C)OCC2C(=O)O3)C	VSLWNSSUMFSGFF-UHFFFAOYSA-N
DG60361	"2-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2lambda(5)-isoquinoline"	433773	"2-(2,4-dinitrophenyl)isoquinolin-2-ium; 2-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2lambda(5)-isoquinoline; 33107-14-1; NSC338048; MLS001241054; SMR000841217; NSC 338048; CHEMBL1626353; BDBM59079; DTXSID80186775; cid_10735291; ZINC5669875; 2-(2,4-Dinitrophenyl)isoquinolinium; NCGC00247386-01; NCI60_002976; 2-(2,4-dinitrophenyl)isoquinolin-2-ium;chloride; 2-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2.lambda.~5~-isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338048	.	.	.	.	296.26	C15H10N3O4+	95.5	434	3.5	22	0	4	1	InChI=1S/C15H10N3O4/c19-17(20)13-5-6-14(15(9-13)18(21)22)16-8-7-11-3-1-2-4-12(11)10-16/h1-10H/q+1	C1=CC=C2C=[N+](C=CC2=C1)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]	VOBRDRJWLHTGSG-UHFFFAOYSA-N
DG60362	Physalolactone	433866	"PHYSALOLACTONE; NSC339137; 6-(1-{8-chloro-6,7,11,14-tetrahydroxy-2,15-dimethyl-3-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-4-en-14-yl}-1-hydroxyethyl)-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one; 71339-25-8; CHEMBL1980753; DTXSID60991667; LMST01160012; NSC-339137; 6-Chloro-4,5,14,17,20-pentahydroxy-22,26-epoxyergosta-2,24-diene-1,26-dione; 6a-Chloro-4b,5,14,17b,20S-pentahydroxy-1-oxo-5b,22R-witha-2,24-dienolide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339137	.	.	.	.	539.1	C28H39ClO8	145	1120	0.9	37	5	8	2	"InChI=1S/C28H39ClO8/c1-14-12-21(37-22(32)15(14)2)25(5,33)27(35)11-10-26(34)17-13-18(29)28(36)20(31)7-6-19(30)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-18,20-21,31,33-36H,8-13H2,1-5H3"	CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC(C5(C4(C(=O)C=CC5O)C)O)Cl)C)O)O)O)C	XCJUXWOCLLPHII-UHFFFAOYSA-N
DG60363	18-Acetoxyaphidicolin	433926	"82026-03-7; NSC339660; 18-Acetoxyaphidicolin; APHIDICOLIN, 18-ACETOXY; CHEMBL1974527; DTXSID101002399; NSC-339660; [3,9-Dihydroxy-9-(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalen-4-yl]methyl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339660	.	.	.	.	380.5	C22H36O5	87	622	2.5	27	3	5	4	"InChI=1S/C22H36O5/c1-14(24)27-13-19(2)17-5-4-15-10-16-11-21(15,8-9-22(16,26)12-23)20(17,3)7-6-18(19)25/h15-18,23,25-26H,4-13H2,1-3H3"	CC(=O)OCC1(C2CCC3CC4CC3(C2(CCC1O)C)CCC4(CO)O)C	SSEWIUPYEWEJEH-UHFFFAOYSA-N
DG60364	"Aphidicolin, 6-B-hydroxy-"	433996	"6-.beta.-Hydroxyaphidicolin; NSC340292; 82026-07-1; CHEMBL1969124; DTXSID601002401; APHIDICOLIN, 6-B-HYDROXY-; NSC-340292; 4,9-Bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalene-3,5,9-triol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	340292	.	.	.	.	354.5	C20H34O5	101	554	1.2	25	5	5	2	"InChI=1S/C20H34O5/c1-17(10-21)15(24)3-4-18(2)16(17)14(23)8-12-7-13-9-19(12,18)5-6-20(13,25)11-22/h12-16,21-25H,3-11H2,1-2H3"	CC12CCC(C(C1C(CC3C24CCC(C(C3)C4)(CO)O)O)(C)CO)O	SOPHJADXFALVLH-UHFFFAOYSA-N
DG60365	"Picras-3-ene-2, 11,20-epoxy-1,11,12-trihydroxy-6-[(3-methyl-1-oxo-2-butenyl)oxy]-, (6alpha,11beta,12alpha)-"	434049	"NSC341651; NSC-341651; Neuro_000176; CHEMBL2006051; Picras-3-ene-2, 11,20-epoxy-1,11,12-trihydroxy-6-[(3-methyl-1-oxo-2-butenyl)oxy]-, (6.alpha.,11.beta.,12.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	341651	.	.	.	.	478.5	C25H34O9	143	985	0.4	34	4	9	3	"InChI=1S/C25H34O9/c1-10(2)6-15(27)33-18-17-11(3)7-14(26)20(30)23(17,5)22-24-9-32-25(22,31)19(29)12(4)13(24)8-16(28)34-21(18)24/h6-7,12-14,17-22,26,29-31H,8-9H2,1-5H3"	CC1C2CC(=O)OC3C24COC(C1O)(C4C5(C(C3OC(=O)C=C(C)C)C(=CC(C5O)O)C)C)O	GHYBVLUUZDLXRW-UHFFFAOYSA-N
DG60366	1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-methyl-9H-xanthen-9-one	434117	NSC342979; 86455-96-1; CHEMBL22166; DTXSID10330981; ZINC5460313; 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-methyl-9H-xanthen-9-one; NSC-342979; 1-(2-dimethylaminoethylamino)-7-hydroxy-4-methyl-xanthen-9-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	342979	.	.	.	.	312.4	C18H20N2O3	61.8	429	3.5	23	2	5	4	"InChI=1S/C18H20N2O3/c1-11-4-6-14(19-8-9-20(2)3)16-17(22)13-10-12(21)5-7-15(13)23-18(11)16/h4-7,10,19,21H,8-9H2,1-3H3"	CC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(O2)C=CC(=C3)O	QBUATVGLDZNNBO-UHFFFAOYSA-N
DG60367	1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine	434165	"1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine; 112747-94-1; NSC344007; CHEMBL2009892; SCHEMBL10552270; DTXSID60330991; ZINC19364792; NCI60_003056; 1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine #; Piperazine, 1-[2-chloroethyl]-4-[3-chloropropyl]-; Piperazine, 1-(2-chloroethyl)-4-(3-chloropropyl)-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	344007	.	.	.	.	225.16	C9H18Cl2N2	6.5	125	1.6	13	0	2	5	InChI=1S/C9H18Cl2N2/c10-2-1-4-12-6-8-13(5-3-11)9-7-12/h1-9H2	C1CN(CCN1CCCCl)CCCl	QPTRATAVQVHORS-UHFFFAOYSA-N
DG60368	"N,N'-bis(7-chloro-4-quinolyl)hexane-1,6-diamine"	434361	"NSC349051; CHEMBL63342; SCHEMBL12643220; ZINC26184399; NSC-349051; N,N'-bis(7-chloro-4-quinolyl)hexane-1,6-diamine; 4,4'-[1,6-Hexanediylbis(imino)]bis[7-chloroquinoline]; N~1~,N~6~-Bis(7-chloro-4-quinolinyl)-1,6-hexanediamine; Quinoline-4-amine,N'-1,6-hexanediylbis[6-chloro-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	349051	.	.	.	.	439.4	C24H24Cl2N4	49.8	464	6.8	30	2	4	9	"InChI=1S/C24H24Cl2N4/c25-17-5-7-19-21(9-13-29-23(19)15-17)27-11-3-1-2-4-12-28-22-10-14-30-24-16-18(26)6-8-20(22)24/h5-10,13-16H,1-4,11-12H2,(H,27,29)(H,28,30)"	C1=CC2=C(C=CN=C2C=C1Cl)NCCCCCCNC3=C4C=CC(=CC4=NC=C3)Cl	HHWIMTYEHYWKEK-UHFFFAOYSA-N
DG60369	"Azanide;cyclobutylazanide;cyclohexane-1,2-dicarboxylic acid;platinum(2+)"	434393	NSC349460; NSC-349460	.	.	Investigative Drug(s)	Investigative	Small molecular drug	349460	.	.	.	.	453.4	C12H22N2O4Pt	76.6	263	.	19	4	6	0	"InChI=1S/C8H12O4.C4H8N.H2N.Pt/c9-7(10)5-3-1-2-4-6(5)8(11)12;5-4-2-1-3-4;;/h5-6H,1-4H2,(H,9,10)(H,11,12);4-5H,1-3H2;1H2;/q;2*-1;+2"	C1CCC(C(C1)C(=O)O)C(=O)O.C1CC(C1)[NH-].[NH2-].[Pt+2]	PTXCRJJLRKUUFH-UHFFFAOYSA-N
DG60370	"Benzo[c]phenanthridinium,3,8,9-tetramethoxy-5-methyl-12-(phenylmethoxy)-, methanesulfonate"	434589	"NSC352670; NSC-352670; Benzo[c]phenanthridinium,3,8,9-tetramethoxy-5-methyl-12-(phenylmethoxy)-, methanesulfonate; Benzo[c]phenanthridinium,3,8,9-tetramethoxy-5-methyl-12-(phenylmethoxy)-,methanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	352670	.	.	.	.	566.6	C30H32NO8S+	113	764	.	40	1	8	7	"InChI=1S/C29H28NO5.CH4O3S/c1-30-16-19-11-25(31-2)26(32-3)12-20(19)22-14-24(35-17-18-9-7-6-8-10-18)21-13-27(33-4)28(34-5)15-23(21)29(22)30;1-5(2,3)4/h6-16H,17H2,1-5H3;1H3,(H,2,3,4)/q+1;"	C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C(=C3)OCC5=CC=CC=C5)OC)OC)OC)OC.CS(=O)(=O)O	KKSKTPUCMSLMRQ-UHFFFAOYSA-N
DG60371	"2-Ethoxy-3,8,9-trimethoxy-5-methyl-12-phenylmethoxybenzo[c]phenanthridin-5-ium;methanesulfonic acid"	434591	NSC352671; NSC-352671	.	.	Investigative Drug(s)	Investigative	Small molecular drug	352671	.	.	.	.	580.7	C31H34NO8S+	113	779	.	41	1	8	8	"InChI=1S/C30H30NO5.CH4O3S/c1-6-35-29-14-22-24(16-28(29)34-5)30-23(15-25(22)36-18-19-10-8-7-9-11-19)21-13-27(33-4)26(32-3)12-20(21)17-31(30)2;1-5(2,3)4/h7-17H,6,18H2,1-5H3;1H3,(H,2,3,4)/q+1;"	CCOC1=C(C=C2C(=C1)C(=CC3=C2[N+](=CC4=CC(=C(C=C43)OC)OC)C)OCC5=CC=CC=C5)OC.CS(=O)(=O)O	RTRYXIDEIYACKQ-UHFFFAOYSA-N
DG60372	"Anthra[1,9-cd]pyrazol-6(2H)-one der."	434731	"NSC355644; NSC-355644; CHEMBL1972907; Anthra[1,9-cd]pyrazol-6(2H)-one der.; dihydroxy-[2-(2-hydroxyethylamino)ethyl]-[2-(methylamino)ethylamino][ ]one; 7,10-Dihydroxy-2-{2-[(2-hydroxyethyl)amino]ethyl}-5-{[2-(methylamino)ethyl]amino}dibenzo[cd,g]indazol-6(2H)-one acetate (salt); Anthra[1, 7,10-dihydroxy-2-[2-[(2-hydroxyethyl)amino]ethyl]-5-[[2-(methylamino)ethyl]amino]-, acetate (salt) hydrobromide (10:5:21); Anthra[1, 7,10-dihydroxy-2-[2-[(2-hydroxyethyl)amino]ethyl]-5-[[2-(methylamino)ethyl]amino]-acetate (salt) hydrobromide (10:5:21)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355644	.	.	.	.	471.5	C23H29N5O6	167	1030	.	34	7	11	8	"InChI=1S/C21H25N5O4.C2H4O2/c1-22-6-7-24-12-2-3-13-17-16(12)21(30)19-15(29)5-4-14(28)18(19)20(17)25-26(13)10-8-23-9-11-27;1-2(3)4/h2-5,22-23,25,27,29-30H,6-11H2,1H3;1H3,(H,3,4)"	CC(=O)O.CNCCN=C1C=CC2=C3C1=C(C4=C(C=CC(=O)C4=C3NN2CCNCCO)O)O	HWXPPHPMDNLIOG-UHFFFAOYSA-N
DG60373	"2,6-Epoxy-2H-1-benzoxocin-5(6H)-one, 6,8-dimethyl-"	434882	"NSC359892; 2,6-Epoxy-2H-1-benzoxocin-5(6H)-one, 6,8-dimethyl-; 2, 6,8-dimethyl-; 89177-78-6; CHEMBL1974909; DTXSID00331068; NSC-359892"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	359892	.	.	.	.	216.23	C13H12O3	35.5	349	2.2	16	0	3	0	"InChI=1S/C13H12O3/c1-8-3-4-10-9(7-8)13(2)11(14)5-6-12(15-10)16-13/h3-7,12H,1-2H3"	CC1=CC2=C(C=C1)OC3C=CC(=O)C2(O3)C	IZUJPRIAZVAYNB-UHFFFAOYSA-N
DG60374	"8-Benzyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylic acid"	434893	"NSC360215; NSC-360215; CHEMBL1994813; 8-benzyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	360215	.	.	.	.	301.29	C16H15NO5	94.9	523	-1.7	22	2	6	4	"InChI=1S/C16H15NO5/c18-11-7-6-10-12(15(19)20)13(16(21)22)14(11)17(10)8-9-4-2-1-3-5-9/h1-7,10,12-14H,8H2,(H,19,20)(H,21,22)"	C1=CC=C(C=C1)CN2C3C=CC(=O)C2C(C3C(=O)O)C(=O)O	RIJSDQUHLSYCDR-UHFFFAOYSA-N
DG60375	"Uracil, (2S,trans)-"	434954	"NSC361605; Uracil, (2S,trans)-; CHEMBL1965370; NSC-361605; 2,3H)-Pyrimidinedione, 5-fluoro-1-[tetrahydro-5-oxo-3-(trimethylsiloxy)-2-furanyl]-, (2S,trans)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361605	.	.	.	.	302.33	C11H15FN2O5Si	84.9	502	.	20	1	6	3	"InChI=1S/C11H15FN2O5Si/c1-20(2,3)19-7-4-8(15)18-10(7)14-5-6(12)9(16)13-11(14)17/h5,7,10H,4H2,1-3H3,(H,13,16,17)"	C[Si](C)(C)OC1CC(=O)OC1N2C=C(C(=O)NC2=O)F	VUNMNCXPWSZIGW-UHFFFAOYSA-N
DG60376	"N-(3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide"	434973	"NSC361792; Thiocolchicine, 3-demethyl-; MLS002702890; CHEMBL320802; SCHEMBL8151606; NSC-361792; N-(3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; SMR001566708; FT-0665748; Acetamide, {N-[5,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-} {10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-,} (S)-; Acetamide,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy- 10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)-; N-(3-Hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide; N-[1,2dimethoxy-3-hydroxy-10-methylsulphanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl]-acetamide; N-[3-Hydroxy-1,2-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361792	.	.	.	.	401.5	C21H23NO5S	110	728	1.4	28	2	6	4	"InChI=1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(25)20(26-2)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)"	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)O	PKYOHQGXPPVIGD-UHFFFAOYSA-N
DG60377	Copper;2-methoxy-6-[(4-methylpyridin-2-yl)iminomethyl]phenol	435019	NSC363002; NSC-363002	.	.	Investigative Drug(s)	Investigative	Small molecular drug	363002	.	.	.	.	548.1	C28H28CuN4O4	109	629	.	37	2	8	4	"InChI=1S/2C14H14N2O2.Cu/c2*1-10-6-7-15-13(8-10)16-9-11-4-3-5-12(18-2)14(11)17;/h2*3-9,17H,1-2H3;"	CC1=CC(=NC=C1)N=CC2=C(C(=CC=C2)OC)O.CC1=CC(=NC=C1)N=CC2=C(C(=CC=C2)OC)O.[Cu]	YYCLTEVUTGKPJD-UHFFFAOYSA-N
DG60378	Darrow Red	435113	Darrow Red; 15391-59-0; NSC364163; SCHEMBL10327418; ZINC4528647; ZINC604935372; NSC-364163	.	.	Investigative Drug(s)	Investigative	Small molecular drug	364163	.	.	.	.	303.3	C18H13N3O2	77	647	2.1	23	1	4	0	"InChI=1S/C18H13N3O2/c1-10(22)20-11-6-7-15-16(8-11)23-17-9-14(19)12-4-2-3-5-13(12)18(17)21-15/h2-9H,19H2,1H3"	CC(=O)N=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)N)OC2=C1	VPKBNFVPXKODST-UHFFFAOYSA-N
DG60379	Ditercalinium dimethanesulfonate dimethanesulfonate	435243	"NSC366241; Ditercalinium dimethanesulfonate dimethanesulfonate; 7H-Pyrido[4, 2,2'-([4,4'-bipiperidine]- 1,1'-diyldi-2,1-ethanediyl)bis[10-methoxy-, dimethanesulfonate, dimethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	366241	.	.	.	.	911.1	C48H58N6O8S2+2	190	1220	.	64	4	10	9	"InChI=1S/C46H48N6O2.2CH4O3S/c1-53-35-5-9-41-37(27-35)45-39-29-51(21-15-33(39)3-7-43(45)47-41)25-23-49-17-11-31(12-18-49)32-13-19-50(20-14-32)24-26-52-22-16-34-4-8-44-46(40(34)30-52)38-28-36(54-2)6-10-42(38)48-44;2*1-5(2,3)4/h3-10,15-16,21-22,27-32H,11-14,17-20,23-26H2,1-2H3;2*1H3,(H,2,3,4)/p+2"	COC1=CC2=C(C=C1)NC3=C2C4=C(C=C3)C=C[N+](=C4)CCN5CCC(CC5)C6CCN(CC6)CC[N+]7=CC8=C(C=CC9=C8C1=C(N9)C=CC(=C1)OC)C=C7.CS(=O)(=O)O.CS(=O)(=O)O	MMJHHMWONHLFTF-UHFFFAOYSA-P
DG60380	"N-(2-hydroxy-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide"	435445	"N-(2-hydroxy-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; O(sup 2)-Demethyl-10-thiocolchicine; NSC-369937; COLCHICINE, O(sup 2)-DEMETHYL-10-THIO-; SCHEMBL2146845; CHEMBL1974567; NSC369937; FT-0665747; (S)-N-(5,7,9-TETRAHYDRO-2-HYDROXY-1,3-DIMETHOXY-10-(METHYLTHIO)-9-OXOBENZO[A]HEPTALEN-7-YL)ACETAMIDE; Acetamide, N-(5,6,7,9-tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, (S)-; Acetamide,6,7,9-tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)-; N-[2-Hydroxy-1,3-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	369937	.	.	.	.	401.5	C21H23NO5S	110	728	1	28	2	6	4	"InChI=1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(26-2)20(25)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)"	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)O)OC	OMQLBXIHBJAOIO-UHFFFAOYSA-N
DG60381	NSC371189	435511	"13-(4-Chlorophenyl)-14-phenyldiazenyl-11-pyridin-2-yl-2-thia-9,11,13-triazatricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,9-pentaene-12-thione; NSC371189; CHEMBL1983143; ZINC102938859; ZINC104131969; NSC-371189; (4-chlorophenyl)-[(Z)-phenylazo]-(2-pyridyl)[ ]thione; 3-(4-chlorophenyl)-12-[(Z)-phenyldiazenyl]-5-pyridin-2-yl-3H-6,2-metheno-1,3,5,7-benzothiatriazonine-4(5H)-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	371189	.	.	.	.	525	C27H17ClN6S2	114	908	7	36	0	6	4	InChI=1S/C27H17ClN6S2/c28-18-13-15-20(16-14-18)33-26-24(32-31-19-8-2-1-3-9-19)25(30-21-10-4-5-11-22(21)36-26)34(27(33)35)23-12-6-7-17-29-23/h1-17H	C1=CC=C(C=C1)N=NC2=C3N(C(=S)N(C2=NC4=CC=CC=C4S3)C5=CC=CC=N5)C6=CC=C(C=C6)Cl	HAJTVDYXEIIDHM-UHFFFAOYSA-N
DG60382	"9-(3,4-dichlorophenyl)-2,7-bis((dimethylamino)methyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione"	435524	"NSC371488; 9-(3,4-dichlorophenyl)-2,7-bis((dimethylamino)methyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione; CHEMBL3391702; NCI60_003423; 118372-38-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	371488	.	.	.	.	477.4	C25H30Cl2N2O3	49.8	781	3.7	32	0	5	5	"InChI=1S/C25H30Cl2N2O3/c1-28(2)12-15-6-9-19-22(24(15)30)21(14-5-8-17(26)18(27)11-14)23-20(32-19)10-7-16(25(23)31)13-29(3)4/h5,8,11,15-16,21H,6-7,9-10,12-13H2,1-4H3"	CN(C)CC1CCC2=C(C1=O)C(C3=C(O2)CCC(C3=O)CN(C)C)C4=CC(=C(C=C4)Cl)Cl	FEHKQTCFKALTRL-UHFFFAOYSA-N
DG60383	NSC372848	435620	"[5-(2-Aminopropanoyloxymethyl)-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-aminopropanoate;2,2,2-trifluoroacetic acid; NSC372848; CHEMBL1994771; NSC-372848; L-Alanine,3,5,7-tetraoxo-4,8-ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-2,6-diyl)bis(methylene) ester, bis(trifluoroacetate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372848	.	.	.	.	588.5	C24H27F3N4O10	217	1070	.	41	3	15	8	"InChI=1S/C22H26N4O8.C2HF3O2/c1-7(23)21(31)33-5-25-17(27)13-9-3-4-10(14(13)18(25)28)12-11(9)15-16(12)20(30)26(19(15)29)6-34-22(32)8(2)24;3-2(4,5)1(6)7/h3-4,7-16H,5-6,23-24H2,1-2H3;(H,6,7)"	CC(C(=O)OCN1C(=O)C2C3C=CC(C2C1=O)C4C3C5C4C(=O)N(C5=O)COC(=O)C(C)N)N.C(=O)(C(F)(F)F)O	XFWXTQGTVDIXST-UHFFFAOYSA-N
DG60384	"2-(Hydroxymethyl)-5-[(2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium-11-yl)methoxy]oxolane-3,4-diol"	435657	"NSC378695; CHEMBL1989699; NSC-378695; 6H-Pyrido[4, 11-[1-O-[(.alpha.-L- lyxofuranosyl)methyl]]-2,5,6-trimethyl-, hydroxide, inner salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	378695	.	.	.	.	423.5	C24H27N2O5+	88	637	2.2	31	3	5	4	"InChI=1S/C24H27N2O5/c1-13-14-8-9-25(2)10-16(14)17(12-30-24-23(29)22(28)19(11-27)31-24)20-15-6-4-5-7-18(15)26(3)21(13)20/h4-10,19,22-24,27-29H,11-12H2,1-3H3/q+1"	CC1=C2C=C[N+](=CC2=C(C3=C1N(C4=CC=CC=C43)C)COC5C(C(C(O5)CO)O)O)C	ZNXXZAZGDYGHGN-UHFFFAOYSA-N
DG60385	"7-imino-N,N-dimethylphenothiazin-3-amine"	435683	SCHEMBL4288219; ZINC4272011; NSC374111; NSC-374111; 93211-80-4	.	.	Investigative Drug(s)	Investigative	Small molecular drug	374111	.	.	.	.	255.34	C14H13N3S	64.8	462	2.2	18	1	4	1	"InChI=1S/C14H13N3S/c1-17(2)10-4-6-12-14(8-10)18-13-7-9(15)3-5-11(13)16-12/h3-8,15H,1-2H3"	CN(C)C1=CC2=C(C=C1)N=C3C=CC(=N)C=C3S2	HMYISFASHDWPMO-UHFFFAOYSA-N
DG60386	"1,2-Diacetyl-1,2-didemethylthiocolchicine"	435731	"NSC374979; Neuro_000210; CHEMBL1983735; NSC-374979; 1,2-Diacetyl-1,2-didemethylthiocolchicine; 7-(Acetylamino)-1-(acetyloxy)-3-methoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-2-yl acetate #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	374979	.	.	.	.	471.5	C24H25NO7S	133	922	1.3	33	1	8	7	"InChI=1S/C24H25NO7S/c1-12(26)25-18-8-6-15-10-20(30-4)23(31-13(2)27)24(32-14(3)28)22(15)16-7-9-21(33-5)19(29)11-17(16)18/h7,9-11,18H,6,8H2,1-5H3,(H,25,26)"	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC(=O)C)OC(=O)C)OC	VHMHTUVWMWRGOR-UHFFFAOYSA-N
DG60387	"Thiocolchicine, 2,3-diacetyl-2,3-didemethyl-"	435732	"NSC374980; Neuro_000211; CHEMBL1993093; NSC-374980; Thiocolchicine, 2,3-diacetyl-2,3-didemethyl-; 7-(Acetylamino)-2-(acetyloxy)-1-methoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-3-yl acetate #; Acetamide,3-bis(acetyloxy)-5,6,7,9-tetrahydro-1-methoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)-; Acetamide,3-diacetyloxy-5,6,7,9-tetrahydro-1-methoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	374980	.	.	.	.	471.5	C24H25NO7S	133	922	1.3	33	1	8	7	"InChI=1S/C24H25NO7S/c1-12(26)25-18-8-6-15-10-20(31-13(2)27)23(32-14(3)28)24(30-4)22(15)16-7-9-21(33-5)19(29)11-17(16)18/h7,9-11,18H,6,8H2,1-5H3,(H,25,26)"	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC(=O)C)OC(=O)C	AXTUXMYJCHPLDP-UHFFFAOYSA-N
DG60388	Dregeoside AO1	435773	NSC375875; DREGEOSIDE AO1; CHEMBL1996984; NSC-375875	.	.	Investigative Drug(s)	Investigative	Small molecular drug	375875	.	.	.	.	1245.4	C62H100O25	320	2360	2	87	6	25	22	"InChI=1S/C62H100O25/c1-27(2)21-42(66)83-57-55(80-33(8)65)46-37(62(71)20-18-36(28(3)64)61(57,62)10)16-15-34-22-35(17-19-60(34,46)9)81-43-23-38(72-11)51(29(4)76-43)84-44-24-39(73-12)52(30(5)77-44)85-45-25-40(74-13)53(31(6)78-45)86-59-50(70)56(75-14)54(32(7)79-59)87-58-49(69)48(68)47(67)41(26-63)82-58/h15,27,29-32,35-41,43-59,63,67-71H,16-26H2,1-14H3"	CC1C(C(CC(O1)OC2CCC3(C4C(CC=C3C2)C5(CCC(C5(C(C4OC(=O)C)OC(=O)CC(C)C)C)C(=O)C)O)C)OC)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC)O)OC)OC	PXGLRROUIHYIJI-UHFFFAOYSA-N
DG60389	"2-(3,4,5-Trimethoxyphenyl)-5,12,14-trioxa-3-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-4-one"	435851	"NSC377521; MLS002701704; CHEMBL1724097; NSC-377521; SMR001565301; 5-(3,4,5-Trimethoxyphenyl)-5,9,9a,10-tetrahydro[1,3]dioxolo[4,5-g][1,3]oxazolo[3,4-b]isoquinolin-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	377521	.	.	.	.	399.4	C21H21NO7	75.7	604	2.9	29	0	7	4	"InChI=1S/C21H21NO7/c1-24-17-6-12(7-18(25-2)20(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-21(23)22(13)19/h5-8,13,19H,4,9-10H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3CC5N2C(=O)OC5)OCO4	HSYGXWWIEPKNOV-UHFFFAOYSA-N
DG60390	Pegaspargase	436058	"Pegaspargase; NSC382000; MLS002701709; 116218-49-6; 2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(2,4-dimethylphenyl)-; CHEMBL1705708; SCHEMBL15245121; DTXSID80331167; 2-(dimethylaminomethyl)-1-(2,4-dimethylphenyl)prop-2-en-1-one; ZINC61860580; NCI60_003626; SMR001565306; 1-(2,4-Dimethylphenyl)-2-(dimethylaminomethyl)-2-propene-1-one; 2-((Dimethylamino)methyl)-1-(2,4-dimethylphenyl)-2-propen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382000	.	.	.	.	217.31	C14H19NO	20.3	270	2.8	16	0	2	4	"InChI=1S/C14H19NO/c1-10-6-7-13(11(2)8-10)14(16)12(3)9-15(4)5/h6-8H,3,9H2,1-2,4-5H3"	CC1=CC(=C(C=C1)C(=O)C(=C)CN(C)C)C	QXLQZLBNPTZMRK-UHFFFAOYSA-N
DG60391	"2-(Dimethylaminomethyl)-1-(2,5-dimethylphenyl)prop-2-en-1-one"	436059	"NSC382001; MLS002701710; CHEMBL1708611; SCHEMBL15245118; 2-(dimethylaminomethyl)-1-(2,5-dimethylphenyl)prop-2-en-1-one; ZINC61860577; NCI60_003627; SMR001565307; 1-(2,5-Dimethylphenyl)-2-(dimethylaminomethyl)-2-propene-1-one; 2-((Dimethylamino)methyl)-1-(2,5-dimethylphenyl)-2-propen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382001	.	.	.	.	217.31	C14H19NO	20.3	270	2.8	16	0	2	4	"InChI=1S/C14H19NO/c1-10-6-7-11(2)13(8-10)14(16)12(3)9-15(4)5/h6-8H,3,9H2,1-2,4-5H3"	CC1=CC(=C(C=C1)C)C(=O)C(=C)CN(C)C	BNDBZMVGPBMKJD-UHFFFAOYSA-N
DG60392	2-(Dimethylaminomethyl)-1-(2-methoxyphenyl)prop-2-en-1-one	436061	NSC382003; CHEMBL2008285; 2-(dimethylaminomethyl)-1-(2-methoxyphenyl)prop-2-en-1-one; ZINC73353582; NCI60_003629; 1-(2-Methoxyphenyl)-2-(dimethylaminomethyl)-2-propene-1-one; 2-((Dimethylamino)methyl)-1-(2-methoxyphenyl)-2-propen-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382003	.	.	.	.	219.28	C13H17NO2	29.5	261	2.3	16	0	3	5	"InChI=1S/C13H17NO2/c1-10(9-14(2)3)13(15)11-7-5-6-8-12(11)16-4/h5-8H,1,9H2,2-4H3"	CN(C)CC(=C)C(=O)C1=CC=CC=C1OC	FTJNEYTWACWMFI-UHFFFAOYSA-N
DG60393	"(4-Chlorophenyl)-(2-ethyl-3,4-diphenyl-1,2-oxazol-2-ium-5-yl)methanone;tetrachloroiron"	436246	NSC400594; NSC-400594	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400594	.	.	.	.	586.5	C24H19Cl5FeNO2+	34.1	526	.	33	0	2	5	"InChI=1S/C24H19ClNO2.4ClH.Fe/c1-2-26-22(18-11-7-4-8-12-18)21(17-9-5-3-6-10-17)24(28-26)23(27)19-13-15-20(25)16-14-19;;;;;/h3-16H,2H2,1H3;4*1H;/q+1;;;;;+4/p-4"	CC[N+]1=C(C(=C(O1)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Fe](Cl)(Cl)Cl	VCTMHNSPENQTPM-UHFFFAOYSA-J
DG60394	"Berbamine, dihydrochloride"	437172	"NSC409664; NSC-409664; Berbamine, dihydrochloride; CHEMBL1974462"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	409664	.	.	.	.	608.7	C37H40N2O6	72.9	963	5.8	45	1	8	3	"InChI=1S/C37H40N2O6/c1-38-20-25-14-23-8-11-30(40)31(16-23)44-27-9-6-22(7-10-27)15-29-28-19-33(32(41-3)17-24(28)12-13-39(29)2)45-37-35(25)26(21-38)18-34(42-4)36(37)43-5/h6-11,16-19,25,29,40H,12-15,20-21H2,1-5H3"	CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6CN(CC7=CC(=C(C(=C67)O3)OC)OC)C)O)OC	ZJMYHEVTMWXXMA-UHFFFAOYSA-N
DG60395	NSC628082	438243	"5-fluoro-2,4-dioxo-N-[6-[3-[2-[3-(2,3,4,5,6-pentahydroxyhexanoylamino)propoxy]ethoxy]propylcarbamoylamino]hexyl]pyrimidine-1-carboxamide; NSC628082; Glucose/Amide/PEG Amine/Carbonyl/Hexamethylene/ Carbamoyl/5FU Conjugate (MW=6480); CHEMBL1983973; NSC-628082; 5-fluoro-2,4-dioxo-N-[6-[3-[2-[3-(2,3,4,5,6-pentahydroxyhexanoylamino)propoxy]ethoxy]propylcarbamoylamino]hexyl]pyrimidine-1-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628082	.	.	.	.	652.7	C26H45FN6O12	268	975	-3.2	45	10	13	23	"InChI=1S/C26H45FN6O12/c27-17-15-33(26(43)32-22(17)39)25(42)31-8-4-2-1-3-7-29-24(41)30-10-6-12-45-14-13-44-11-5-9-28-23(40)21(38)20(37)19(36)18(35)16-34/h15,18-21,34-38H,1-14,16H2,(H,28,40)(H,31,42)(H2,29,30,41)(H,32,39,43)"	C1=C(C(=O)NC(=O)N1C(=O)NCCCCCCNC(=O)NCCCOCCOCCCNC(=O)C(C(C(C(CO)O)O)O)O)F	OQWLQKUFWVLBAZ-UHFFFAOYSA-N
DG60396	"Methyl 2-(1,4-dihydroxy-9,10-dioxo-2-anthryl)acetate"	438245	"NSC628529; CHEMBL1992019; NSC-628529; NCI60_009190; methyl 2-(1,4-dihydroxy-9,10-dioxo-2-anthryl)acetate; Methyl (1,4-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628529	.	.	.	.	312.27	C17H12O6	101	515	3	23	2	6	3	"InChI=1S/C17H12O6/c1-23-12(19)7-8-6-11(18)13-14(15(8)20)17(22)10-5-3-2-4-9(10)16(13)21/h2-6,18,20H,7H2,1H3"	COC(=O)CC1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O	GANZBZTUAZSPKG-UHFFFAOYSA-N
DG60397	"3-Chloro-1,6-dihydropyrazolo[3,4-a]acridin-11-one"	438262	"NSC629701; CHEMBL1979508; NSC-629701; NCI60_009622; 3-chloro-1,6-dihydropyrazolo[3,4-a]acridin-11-one; 3-Chloro-1,6-dihydro-11H-pyrazolo[3,4-a]acridin-11-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629701	.	.	.	.	269.68	C14H8ClN3O	53.5	600	2.7	19	2	4	0	"InChI=1S/C14H8ClN3O/c15-14-8-5-6-10-11(12(8)17-18-14)13(19)7-3-1-2-4-9(7)16-10/h1-6,17-18H"	C1=CC=C2C(=C1)C(=O)C3=C4C(=C(NN4)Cl)C=CC3=N2	SLSBCSNMGZLLMJ-UHFFFAOYSA-N
DG60398	Tetrakis(4-methyltropolonato)thorium(IV)-hydrate	438410	NSC635893; NSC-635893; Tetrakis(4-methyltropolonato)thorium(IV)-hydrate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635893	.	.	.	.	772.6	C32H28O8Th	161	1310	.	41	0	8	2	"InChI=1S/4C8H8O2.Th/c4*1-6-3-2-4-7(9)8(10)5-6;/h4*2-5H,1H3,(H,9,10);/q;;;;+4/p-4"	CC1=CC=CC(=O)C(=C1)[O-].CC1=CC=CC(=O)C(=C1)[O-].CC1=CC=CC(=O)C(=C1)[O-].CC1=CC=CC(=O)C(=C1)[O-].[Th+4]	BAXCUJQXPJZCMT-UHFFFAOYSA-J
DG60399	NSC639659	438492	"2-[[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]tetrahydropyran-4-yl]amino]-3-methoxy-propanenitrile; NSC639659; Doxorubicin der.; Neuro_000304; NSC-639659; NCI60_013158; N-(1-Cyano-2-methoxyethyl)doxorubicin, hemihydrate; 2-[[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]tetrahydropyran-4-yl]amino]-3-methoxy-propanenitrile; 2-{3-Hydroxy-2-methyl-6-[3,5,12-trihydroxy-3-(2-hydroxy-ethanoyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-naphthacen-1-yloxy]-tetrahydro-pyran-4-ylamino}-3-methoxy-propionitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639659	.	.	.	.	626.6	C31H34N2O12	225	1180	1.5	45	6	14	9	"InChI=1S/C31H34N2O12/c1-13-26(36)17(33-14(10-32)12-42-2)7-21(44-13)45-19-9-31(41,20(35)11-34)8-16-23(19)30(40)25-24(28(16)38)27(37)15-5-4-6-18(43-3)22(15)29(25)39/h4-6,13-14,17,19,21,26,33-34,36,38,40-41H,7-9,11-12H2,1-3H3"	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(COC)C#N)O	GYCDKMVFGHDCQH-UHFFFAOYSA-N
DG60400	"1,8-Dihydroxy anthraquinon"	438534	"NSC645018; CHEMBL1992682; 1,8-DIHYDROXY ANTHRAQUINON; NSC-645018; NCI60_015292"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645018	.	.	.	.	562.7	C24H30N6O6S2	211	800	0.7	38	10	12	12	"InChI=1S/C24H30N6O6S2/c25-11(9-37)23(35)29-7-5-27-13-1-2-14(28-6-8-30-24(36)12(26)10-38)18-17(13)21(33)19-15(31)3-4-16(32)20(19)22(18)34/h1-4,11-12,27-28,31-32,37-38H,5-10,25-26H2,(H,29,35)(H,30,36)"	C1=CC(=C2C(=C1NCCNC(=O)C(CS)N)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNC(=O)C(CS)N	CRHREXGMDRBOQO-UHFFFAOYSA-N
DG60401	NSC645809	438544	"10-[2-(Diethylamino)ethylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride; NSC-645809; NSC645809; CHEMBL2002951"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645809	.	.	.	.	386.9	C20H23ClN4O2	70.4	512	.	27	3	5	6	"InChI=1S/C20H22N4O2.ClH/c1-3-23(4-2)10-9-21-15-6-7-16-19-18(15)20(26)14-11-13(25)5-8-17(14)24(19)12-22-16;/h5-8,11-12,21,25H,3-4,9-10H2,1-2H3;1H"	CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O.Cl	HXAQGSRFKAXSNB-UHFFFAOYSA-N
DG60402	NSC645810	438545	"10-[3-(Dimethylamino)propylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride; NSC645810; CHEMBL2006085; NSC-645810"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645810	.	.	.	.	372.8	C19H21ClN4O2	70.4	500	.	26	3	5	5	"InChI=1S/C19H20N4O2.ClH/c1-22(2)9-3-8-20-14-5-6-15-18-17(14)19(25)13-10-12(24)4-7-16(13)23(18)11-21-15;/h4-7,10-11,20,24H,3,8-9H2,1-2H3;1H"	CN(C)CCCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O.Cl	OQPGOJKSONVETH-UHFFFAOYSA-N
DG60403	NSC645812	438549	"10-[2-(Diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride; NSC645812; CHEMBL1990099"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645812	.	.	.	.	400.9	C21H25ClN4O2	59.4	526	.	28	2	5	7	"InChI=1S/C21H24N4O2.ClH/c1-4-24(5-2)11-10-22-16-7-8-17-20-19(16)21(26)15-12-14(27-3)6-9-18(15)25(20)13-23-17;/h6-9,12-13,22H,4-5,10-11H2,1-3H3;1H"	CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)OC.Cl	OCSLOHWPQDAQEN-UHFFFAOYSA-N
DG60404	NSC645813	438551	"10-[3-(Dimethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride; NSC645813; CHEMBL1992163; NSC-645813"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645813	.	.	.	.	386.9	C20H23ClN4O2	59.4	514	.	27	2	5	6	"InChI=1S/C20H22N4O2.ClH/c1-23(2)10-4-9-21-15-6-7-16-19-18(15)20(25)14-11-13(26-3)5-8-17(14)24(19)12-22-16;/h5-8,11-12,21H,4,9-10H2,1-3H3;1H"	CN(C)CCCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)OC.Cl	QQDRORVYLONSTL-UHFFFAOYSA-N
DG60405	NSC645814	438553	"10-[3-(Diethylamino)propylamino]-5-hydroxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one; NSC645814; CHEMBL1972551; NSC-645814; NCI60_015703"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645814	.	.	.	.	365.4	C20H23N5O2	83.3	529	3.6	27	2	6	7	"InChI=1S/C20H23N5O2/c1-3-24(4-2)11-5-10-21-15-7-8-16-19-18(15)20(27)14-12-13(26)6-9-17(14)25(19)23-22-16/h6-9,12,21,26H,3-5,10-11H2,1-2H3"	CCN(CC)CCCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)O	JQAXADUIRCEBEN-UHFFFAOYSA-N
DG60406	NSC645815	438554	"5-Hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;2-hydroxypropanoic acid; NSC645815; CHEMBL1967478; NSC-645815; NCI60_015704"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645815	.	.	.	.	429.4	C20H23N5O6	170	552	.	31	6	10	7	"InChI=1S/C17H17N5O3.C3H6O3/c23-8-7-18-5-6-19-12-2-3-13-16-15(12)17(25)11-9-10(24)1-4-14(11)22(16)21-20-13;1-2(4)3(5)6/h1-4,9,18-19,23-24H,5-8H2;2,4H,1H3,(H,5,6)"	CC(C(=O)O)O.C1=CC2=C(C=C1O)C(=O)C3=C(C=CC4=C3N2N=N4)NCCNCCO	PWDKAXQANQVDOX-UHFFFAOYSA-N
DG60407	"5-[2-(2-Hydroxyethylamino)ethylamino]-8-hydroxy-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one"	438555	"NSC645829; CHEMBL98184; SCHEMBL13498768; NSC-645829; NCI60_015718; 5-[2-(2-Hydroxyethylamino)ethylamino]-8-hydroxy-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645829	.	.	.	.	339.3	C17H17N5O3	112	493	1.4	25	4	7	6	"InChI=1S/C17H17N5O3/c23-8-7-18-5-6-19-12-2-3-13-16-15(12)17(25)11-9-10(24)1-4-14(11)22(16)21-20-13/h1-4,9,18-19,23-24H,5-8H2"	C1=CC2=C(C=C1O)C(=O)C3=C(C=CC4=C3N2N=N4)NCCNCCO	DMWBKWZMHBLROH-UHFFFAOYSA-N
DG60408	"5-[2-Diethylaminoethylamino]-8-nitro-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one"	438556	"NSC645816; CHEMBL95839; NSC-645816; NCI60_015705; 5-[2-Diethylaminoethylamino]-8-nitro-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645816	.	.	.	.	380.4	C19H20N6O3	109	595	3.4	28	1	7	6	"InChI=1S/C19H20N6O3/c1-3-23(4-2)10-9-20-14-6-7-15-18-17(14)19(26)13-11-12(25(27)28)5-8-16(13)24(18)22-21-15/h5-8,11,20H,3-4,9-10H2,1-2H3"	CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)[N+](=O)[O-]	PEQNMCQAQYPFTF-UHFFFAOYSA-N
DG60409	"5-[3-Dimethylaminopropylamino]-8-nitro-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one"	438557	"NSC645817; Neuro_000344; CHEMBL275526; NSC-645817; NCI60_015706; 5-[3-Dimethylaminopropylamino]-8-nitro-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645817	.	.	.	.	366.4	C18H18N6O3	109	582	3	27	1	7	5	"InChI=1S/C18H18N6O3/c1-22(2)9-3-8-19-13-5-6-14-17-16(13)18(25)12-10-11(24(26)27)4-7-15(12)23(17)21-20-14/h4-7,10,19H,3,8-9H2,1-2H3"	CN(C)CCCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)[N+](=O)[O-]	SLMMMKSIZVYGER-UHFFFAOYSA-N
DG60410	"5-[2-Dimethylaminoethylamino]-8-chloro-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one"	438558	"NSC645818; CHEMBL317491; NSC-645818; NCI60_015707; 5-[2-Dimethylaminoethylamino]-8-chloro-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645818	.	.	.	.	341.8	C17H16ClN5O	63	490	3.5	24	1	5	4	"InChI=1S/C17H16ClN5O/c1-22(2)8-7-19-12-4-5-13-16-15(12)17(24)11-9-10(18)3-6-14(11)23(16)21-20-13/h3-6,9,19H,7-8H2,1-2H3"	CN(C)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)Cl	AFXDVSBSNRAKKZ-UHFFFAOYSA-N
DG60411	"5-[2-(2-Hydroxyethylamino)ethylamino]-8-chloro-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one"	438559	"NSC645819; Neuro_000345; CHEMBL97103; NSC-645819; NCI60_015708; 5-[2-(2-Hydroxyethylamino)ethylamino]-8-chloro-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645819	.	.	.	.	357.8	C17H16ClN5O2	92.1	496	2.3	25	3	6	6	"InChI=1S/C17H16ClN5O2/c18-10-1-4-14-11(9-10)17(25)15-12(20-6-5-19-7-8-24)2-3-13-16(15)23(14)22-21-13/h1-4,9,19-20,24H,5-8H2"	C1=CC2=C(C=C1Cl)C(=O)C3=C(C=CC4=C3N2N=N4)NCCNCCO	YLYRJTVBWDALAV-UHFFFAOYSA-N
DG60412	"5-[2-Diethylaminoethylamino]-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one"	438561	"NSC645821; CHEMBL421192; NSC-645821; NCI60_015710; 5-[2-Diethylaminoethylamino]-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645821	.	.	.	.	335.4	C19H21N5O	63	482	3.6	25	1	5	6	"InChI=1S/C19H21N5O/c1-3-23(4-2)12-11-20-14-9-10-15-18-17(14)19(25)13-7-5-6-8-16(13)24(18)22-21-15/h5-10,20H,3-4,11-12H2,1-2H3"	CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=CC=CC=C4C2=O	ODUVNHPURYHOJK-UHFFFAOYSA-N
DG60413	"5-[2-(2-Hydroxyethylamino)ethylamino]-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one"	438562	"NSC645822; Neuro_000346; CHEMBL97048; NSC-645822; NCI60_015711; 5-[2-(2-Hydroxyethylamino)ethylamino]-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645822	.	.	.	.	323.35	C17H17N5O2	92.1	462	1.7	24	3	6	6	"InChI=1S/C17H17N5O2/c23-10-9-18-7-8-19-12-5-6-13-16-15(12)17(24)11-3-1-2-4-14(11)22(16)21-20-13/h1-6,18-19,23H,7-10H2"	C1=CC=C2C(=C1)C(=O)C3=C(C=CC4=C3N2N=N4)NCCNCCO	ZPTZQTRXGWKCLC-UHFFFAOYSA-N
DG60414	"5-[2-Dimethylaminoethylamino]-8-methyl-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one"	438563	"NSC645823; CHEMBL95648; ZINC5732916; NSC-645823; NCI60_015712; 5-[2-Dimethylaminoethylamino]-8-methyl-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645823	.	.	.	.	321.4	C18H19N5O	63	484	3.2	24	1	5	4	"InChI=1S/C18H19N5O/c1-11-4-7-15-12(10-11)18(24)16-13(19-8-9-22(2)3)5-6-14-17(16)23(15)21-20-14/h4-7,10,19H,8-9H2,1-3H3"	CC1=CC2=C(C=C1)N3C4=C(C=CC(=C4C2=O)NCCN(C)C)N=N3	VOKYJMLZEOIPFL-UHFFFAOYSA-N
DG60415	"5-(2-Dimethylamino-ethylamino)-8-methoxy-1,2,10b-triaza-aceanthrylen-6-one"	438565	"CHEMBL95604; NSC645825; BDBM50309766; NSC-645825; NCI60_015714; 5-(2-(dimethylamino)ethylamino)-8-methoxy-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one; 5-(2-Dimethylamino-ethylamino)-8-methoxy-1,2,10b-triaza-aceanthrylen-6-one; 5-[2-Dimethylaminoethylamino]-8-methoxy-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645825	.	.	.	.	337.4	C18H19N5O2	72.3	502	2.8	25	1	6	5	"InChI=1S/C18H19N5O2/c1-22(2)9-8-19-13-5-6-14-17-16(13)18(24)12-10-11(25-3)4-7-15(12)23(17)21-20-14/h4-7,10,19H,8-9H2,1-3H3"	CN(C)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OC	OACIUUCGBQKLLG-UHFFFAOYSA-N
DG60416	"5-[2-Diethylaminoethylamino]-8-hydroxy-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one"	438567	"NSC645828; CHEMBL330168; NSC-645828; NCI60_015717; 5-[2-Diethylaminoethylamino]-8-hydroxy-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645828	.	.	.	.	351.4	C19H21N5O2	83.3	514	3.2	26	2	6	6	"InChI=1S/C19H21N5O2/c1-3-23(4-2)10-9-20-14-6-7-15-18-17(14)19(26)13-11-12(25)5-8-16(13)24(18)22-21-15/h5-8,11,20,25H,3-4,9-10H2,1-2H3"	CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)O	YEYRTYJQKCNBIE-UHFFFAOYSA-N
DG60417	NSC645830	438568	"10-[3-(Dimethylamino)propylamino]-5-hydroxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one; CHEMBL329092; NSC645830; C-1305; BDBM50088499; NSC-645830; NCI60_015719; 5-((3-(dimethylamino)propyl)amino)-8-hydroxy-6h-[1,2,3]triazolo[4,5,1-de]acridin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645830	.	.	.	.	337.4	C18H19N5O2	83.3	502	2.9	25	2	6	5	"InChI=1S/C18H19N5O2/c1-22(2)9-3-8-19-13-5-6-14-17-16(13)18(25)12-10-11(24)4-7-15(12)23(17)21-20-14/h4-7,10,19,24H,3,8-9H2,1-2H3"	CN(C)CCCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)O	GGLHADFEHBYVER-UHFFFAOYSA-N
DG60418	"10-[2-(Dimethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one"	438569	"NSC-645833; CHEMBL151840; NSC645833; SCHEMBL13526723; BDBM50317133; NCI60_015722; 5-(2-(dimethylamino)ethylamino)-6H-imidazo[4,5,1-de]acridin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645833	.	.	.	.	306.4	C18H18N4O	50.2	454	3.2	23	1	4	4	"InChI=1S/C18H18N4O/c1-21(2)10-9-19-13-7-8-14-17-16(13)18(23)12-5-3-4-6-15(12)22(17)11-20-14/h3-8,11,19H,9-10H2,1-2H3"	CN(C)CCNC1=C2C3=C(C=C1)N=CN3C4=CC=CC=C4C2=O	ZRCXWSWJMWWTFD-UHFFFAOYSA-N
DG60419	"10-[2-(Dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one"	438570	"NSC-645834; CHEMBL147350; NSC645834; ZINC5723877; BDBM50317134; NCI60_015723; 5-(2-(dimethylamino)ethylamino)-1-methyl-6H-imidazo[4,5,1-de]acridin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645834	.	.	.	.	320.4	C19H20N4O	50.2	482	3.6	24	1	4	4	"InChI=1S/C19H20N4O/c1-12-21-15-9-8-14(20-10-11-22(2)3)17-18(15)23(12)16-7-5-4-6-13(16)19(17)24/h4-9,20H,10-11H2,1-3H3"	CC1=NC2=C3N1C4=CC=CC=C4C(=O)C3=C(C=C2)NCCN(C)C	WTFFYWWTDRXKDI-UHFFFAOYSA-N
DG60420	"10-[2-(Dimethylamino)ethylamino]-15-ethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one"	438571	"NSC-645835; CHEMBL148712; NSC645835; Neuro_000347; ZINC5723878; BDBM50317135; NCI60_015724; 5-(2-(dimethylamino)ethylamino)-1-ethyl-6H-imidazo[4,5,1-de]acridin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645835	.	.	.	.	334.4	C20H22N4O	50.2	496	4	25	1	4	5	"InChI=1S/C20H22N4O/c1-4-17-22-15-10-9-14(21-11-12-23(2)3)18-19(15)24(17)16-8-6-5-7-13(16)20(18)25/h5-10,21H,4,11-12H2,1-3H3"	CCC1=NC2=C3N1C4=CC=CC=C4C(=O)C3=C(C=C2)NCCN(C)C	YUTJBINDHFWKND-UHFFFAOYSA-N
DG60421	4-Hydroxy-1-[2-(2-hydroxyethylamino)ethylamino]-10-imino-anthracen-9-one	438629	NSC649153; CHEMBL150727; NSC-649153; NCI60_017147; 4-hydroxy-1-[2-(2-hydroxyethylamino)ethylamino]-10-imino-anthracen-9-one; 1-[2-(2-Hydroxyethylamino)ethylamino]-4-hydroxy-10-iminoanthracen-9(10H)-one; 4-Hydroxy-1-((2-((2-hydroxyethyl)amino)ethyl)amino)-10-imino-9(10H)-anthracenone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649153	.	.	.	.	325.4	C18H19N3O3	105	470	2	24	5	6	6	"InChI=1S/C18H19N3O3/c19-17-11-3-1-2-4-12(11)18(24)15-13(5-6-14(23)16(15)17)21-8-7-20-9-10-22/h1-6,19-23H,7-10H2"	C1=CC=C2C(=C1)C(=N)C3=C(C=CC(=C3C2=O)NCCNCCO)O	PPNDCALYNGCOIX-UHFFFAOYSA-N
DG60422	"2-(1-(4-(N-iPropylacetamido)piperazine))-5,4-naphthoquinone"	438682	"NSC658444; CHEMBL1965969; NSC-658444; NCI60_020540; 2-(1-(4-(N-iPropylacetamido)piperazine))-5,4-naphthoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658444	.	.	.	.	373.4	C19H23N3O5	110	639	2.1	27	3	7	4	"InChI=1S/C19H23N3O5/c1-11(2)20-16(26)10-21-5-7-22(8-6-21)12-9-15(25)17-13(23)3-4-14(24)18(17)19(12)27/h3-4,9,11,23-24H,5-8,10H2,1-2H3,(H,20,26)"	CC(C)NC(=O)CN1CCN(CC1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O	VWLXYTOSWLXXFC-UHFFFAOYSA-N
DG60423	"2-(1-(4-(N-iPropylacetamido)piperazine))-3-chloro-5,4-naphthoquinone"	438683	"NSC658445; CHEMBL1985871; NSC-658445; NCI60_020541; 2-(1-(4-(N-iPropylacetamido)piperazine))-3-chloro- 5,4-naphthoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658445	.	.	.	.	407.8	C19H22ClN3O5	110	662	2.5	28	3	7	4	"InChI=1S/C19H22ClN3O5/c1-10(2)21-13(26)9-22-5-7-23(8-6-22)17-16(20)18(27)14-11(24)3-4-12(25)15(14)19(17)28/h3-4,10,27-28H,5-9H2,1-2H3,(H,21,26)"	CC(C)NC(=O)CN1CCN(CC1)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O	OGMQVHZJFXYVQM-UHFFFAOYSA-N
DG60424	"4,5-dihydro-1H-imidazol-2-yl(10H-indeno[2,3-b]quinoxalin-11-yl)diazene;hydrobromide"	438695	NSC658835; CHEMBL1965840	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658835	.	.	.	.	395.3	C18H15BrN6	77.8	532	.	25	3	3	2	"InChI=1S/C18H14N6.BrH/c1-2-6-12-11(5-1)15-17(16(12)23-24-18-19-9-10-20-18)22-14-8-4-3-7-13(14)21-15;/h1-8,22H,9-10H2,(H,19,20);1H"	C1CN=C(N1)N=NC2=C3C(=NC4=CC=CC=C4N3)C5=CC=CC=C52.Br	HGFCZLBCIVCOIH-UHFFFAOYSA-N
DG60425	"13-Methoxy-6-methyl-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaene"	438699	"NSC658995; methoxy-methyl-nitro-[ ]; CHEMBL1993535; ZINC5734074; NSC-658995; NCI60_020785; 2,3,4,8-Tetrahydro-4-methyl-7-nitro-11-methoxy-1,4-diazepino[5,6,7-kl]acridine; 7-(Hydroxy(oxido)amino)-11-methoxy-4-methyl-2,3,4,8-tetrahydro[1,4]diazepino[5,6,7-kl]acridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658995	.	.	.	.	324.33	C17H16N4O3	83.2	485	3.2	24	1	6	1	"InChI=1S/C17H16N4O3/c1-20-8-7-18-16-11-9-10(24-2)3-4-12(11)19-17-14(21(22)23)6-5-13(20)15(16)17/h3-6,9,18H,7-8H2,1-2H3"	CN1CCNC2=C3C=C(C=CC3=NC4=C(C=CC1=C24)[N+](=O)[O-])OC	DETISAIMFATFMX-UHFFFAOYSA-N
DG60426	"2,3-Dibromo-5,8-dihydroxynaphthoquinone"	438700	"2,3-dibromo-5,8-dihydroxynaphthoquinone; 51847-26-8; NSC659288; CHEMBL2000003; NSC-659288; NCI60_020934; 2,3-dibromo-5,8-dihydroxy-1,4-naphthoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659288	.	.	.	.	347.94	C10H4Br2O4	74.6	334	3.2	16	2	4	0	"InChI=1S/C10H4Br2O4/c11-7-8(12)10(16)6-4(14)2-1-3(13)5(6)9(7)15/h1-2,15-16H"	C1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)Br)Br)O	ZSWDMPFPIQBBGF-UHFFFAOYSA-N
DG60427	2-Chloro-3-[1-(4-(2-pyrimidyl)piperazine)]-naphthazarin	438704	NSC659647; CHEMBL1986769; NSC-659647; NCI60_021023; 2-Chloro-3-[1-(4-(2-pyrimidyl)piperazine)]-naphthazarin	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659647	.	.	.	.	386.8	C18H15ClN4O4	107	619	2.8	27	2	8	2	"InChI=1S/C18H15ClN4O4/c19-14-15(17(27)13-11(25)3-2-10(24)12(13)16(14)26)22-6-8-23(9-7-22)18-20-4-1-5-21-18/h1-5,26-27H,6-9H2"	C1CN(CCN1C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O)C4=NC=CC=N4	XMTDCGSGUAIZAZ-UHFFFAOYSA-N
DG60428	"1,4-Bis[2-(2-aminoethylamino)ethylamino]-5,8-dihydroxyanthracene-9,10-dione"	438708	NSC660224; CHEMBL573931; WEHI-150; SCHEMBL10523397; ZINC22863115; NSC-660224; NCI60_021101; J3.572.634I	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660224	.	.	.	.	442.5	C22H30N6O4	175	571	0.5	32	8	10	12	"InChI=1S/C22H30N6O4/c23-5-7-25-9-11-27-13-1-2-14(28-12-10-26-8-6-24)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,25-30H,5-12,23-24H2"	C1=CC(=C2C(=C1NCCNCCN)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCN	RFRJYMDNFSFUMR-UHFFFAOYSA-N
DG60429	2-[1-(4-(4'-Acetophenone)piperazino)]-naphthazarin	438711	NSC660636; CHEMBL2006279; NSC-660636; NCI60_021160; 2-[1-(4-(4'-acetophenone)piperazino)]-naphthazarin	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660636	.	.	.	.	392.4	C22H20N2O5	98.2	704	3.5	29	2	7	3	"InChI=1S/C22H20N2O5/c1-13(25)14-2-4-15(5-3-14)23-8-10-24(11-9-23)16-12-19(28)20-17(26)6-7-18(27)21(20)22(16)29/h2-7,12,26-27H,8-11H2,1H3"	CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC(=O)C4=C(C=CC(=C4C3=O)O)O	RQJRYRKHGIWNMD-UHFFFAOYSA-N
DG60430	6-(2-Dimethylaminoethylamino)benzo[e]perimidin-7-one	438787	NSC669965; 6-((2-(Dimethylamino)ethyl)amino)-7H-benzo[e]perimidin-7-one; 6-[[2-(Dimethylamino)ethyl]amino]-7H-benzo[e]perimidin-7-one; 6-(2-dimethylaminoethylamino)benzo[e]perimidin-7-one; CHEMBL334256; NSC-669965; NCI60_024483	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669965	.	.	.	.	318.4	C19H18N4O	58.1	468	3.3	24	1	5	4	"InChI=1S/C19H18N4O/c1-23(2)10-9-20-15-8-7-14-16-17(15)19(24)13-6-4-3-5-12(13)18(16)22-11-21-14/h3-8,11,20H,9-10H2,1-2H3"	CN(C)CCNC1=C2C3=C(C=C1)N=CN=C3C4=CC=CC=C4C2=O	JAWUYNKUGTXXBO-UHFFFAOYSA-N
DG60431	11-Hydroxy aclacinomycin A	438788	11-Hydroxy aclacinomycin A; NSC670121; NSC-670121; NCI60_024582	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670121	.	.	.	.	827.9	C42H53NO16	237	1560	4	59	5	17	10	"InChI=1S/C42H53NO16/c1-8-42(52)16-25(30-31(34(42)41(51)53-7)38(50)32-33(37(30)49)36(48)29-20(35(32)47)10-9-11-23(29)45)57-27-14-21(43(5)6)39(18(3)55-27)59-28-15-24(46)40(19(4)56-28)58-26-13-12-22(44)17(2)54-26/h9-11,17-19,21,24-28,34,39-40,45-46,49-50,52H,8,12-16H2,1-7H3"	CCC1(CC(C2=C(C1C(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O	DGBFPZUOWZFVHF-UHFFFAOYSA-N
DG60432	11-Hydroxy aclacinomycin X	438789	11-Hydroxyaclacinomycin X; NSC670122; 11-Hydroxy aclacinomycin X; NSC-670122; NCI60_024583	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670122	.	.	.	.	840.9	C42H52N2O16	263	1660	3	60	6	18	10	"InChI=1S/C42H52N2O16/c1-8-42(53)15-25(29-30(33(42)40(52)54-7)37(51)31-32(36(29)50)35(49)28-19(34(31)48)10-9-11-22(28)45)58-26-13-21(44(5)6)38(17(3)55-26)59-27-14-24(47)39(18(4)56-27)60-41-20(43)12-23(46)16(2)57-41/h9-12,16-18,21,24-27,33,38-39,41,45,47,50-51,53H,8,13-15,43H2,1-7H3"	CCC1(CC(C2=C(C1C(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7C(=CC(=O)C(O7)C)N)O)N(C)C)O	LPFZXQBRNYTAKP-UHFFFAOYSA-N
DG60433	"8H-Quinolino[4,3,2-kl]acridine"	438792	"NSC670692; Neuro_000407; quino[4,3,2-kl]acridine; SCHEMBL383212; DTXSID00912018; 8H-Quinolino[4,3,2-kl]acridine; ZINC1855955; NSC-670692; 8,13-Diaza-8H-dibenz[a,de]anthracene; NCI60_024902"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670692	.	.	.	.	268.3	C19H12N2	24.9	395	4.7	21	1	2	0	"InChI=1S/C19H12N2/c1-3-9-15-12(6-1)13-8-5-11-17-18(13)19(21-15)14-7-2-4-10-16(14)20-17/h1-11,20H"	C1=CC=C2C(=C1)C3=NC4=CC=CC=C4C5=C3C(=CC=C5)N2	SCZSPPOWUKAPDY-UHFFFAOYSA-N
DG60434	"2-Nitro-8,13-diaza-8H-dibenz[a,de]anthracene"	438794	"NSC670694; CHEMBL41701; SCHEMBL10168162; ZINC104038565; NSC-670694; NCI60_024904; 2-Nitro-8,13-diaza-8H-dibenz[a,de]anthracene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670694	.	.	.	.	313.3	C19H11N3O2	70.7	507	4.6	24	1	4	0	"InChI=1S/C19H11N3O2/c23-22(24)11-8-9-12-13-5-3-7-16-18(13)19(21-17(12)10-11)14-4-1-2-6-15(14)20-16/h1-10,21H"	C1=CC=C2C(=C1)C3=C4C(=N2)C=CC=C4C5=C(N3)C=C(C=C5)[N+](=O)[O-]	SAHWNOIFTROCTQ-UHFFFAOYSA-N
DG60435	"4,9-Diaza-4H-dibenzo[a,de]naphthacene"	438795	"NSC670695; CHEMBL1998854; NSC-670695; 4,9-Diaza-4H-dibenzo[a,de]naphthacene; NCI60_024905"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670695	.	.	.	.	318.4	C23H14N2	24.9	504	6	25	1	2	0	"InChI=1S/C23H14N2/c1-2-7-15-13-21-18(12-14(15)6-1)16-9-5-11-20-22(16)23(25-21)17-8-3-4-10-19(17)24-20/h1-13,25H"	C1=CC=C2C=C3C(=CC2=C1)C4=CC=CC5=NC6=CC=CC=C6C(=C54)N3	PVYQSPFUJLWTQF-UHFFFAOYSA-N
DG60436	"Carbanide;palladium;1,10-phenanthroline"	438840	NSC676735	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676735	.	.	.	.	316.7	C14H14N2Pd-2	25.8	188	.	17	0	4	0	InChI=1S/C12H8N2.2CH3.Pd/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h1-8H;2*1H3;/q;2*-1;	[CH3-].[CH3-].C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Pd]	VFJCFOXUPIHQEG-UHFFFAOYSA-N
DG60437	"2,6-diamino-N-[2-[[4-[2-(2,6-diaminohexanoylamino)ethylamino]-9,10-dioxo-1-anthryl]amino]ethyl]hexanamide"	438922	"NSC684438; CHEMBL1967126; NSC-684438; NCI60_030361; 2,6-Diamino-N-(2-((4-((2-((2,6-diaminohexanoyl)amino)ethyl)amino)-9,10-dioxo-9,10-dihydro-1-anthracenyl)amino)ethyl)hexanamide; 2,6-diamino-N-[2-[[4-[2-(2,6-diaminohexanoylamino)ethylamino]-9,10-dioxo-1-anthryl]amino]ethyl]hexanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684438	.	.	.	.	580.7	C30H44N8O4	221	819	1.1	42	8	10	18	"InChI=1S/C30H44N8O4/c31-13-5-3-9-21(33)29(41)37-17-15-35-23-11-12-24(36-16-18-38-30(42)22(34)10-4-6-14-32)26-25(23)27(39)19-7-1-2-8-20(19)28(26)40/h1-2,7-8,11-12,21-22,35-36H,3-6,9-10,13-18,31-34H2,(H,37,41)(H,38,42)"	C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNC(=O)C(CCCCN)N)NCCNC(=O)C(CCCCN)N	ZOMIQYFGCVAWSW-UHFFFAOYSA-N
DG60438	NSC684439	438923	"tert-butyl N-[5-(benzyloxycarbonylamino)-1-[2-[[4-[2-[[6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoyl]amino]ethylamino]-9,10-dioxo-1-anthryl]amino]ethylcarbamoyl]pentyl]carbamate; NSC684439; CHEMBL2007495; NSC-684439; NCI60_030362; Carbamic acid, [(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis[imino-2,1-ethanediylimino[2-oxo-1-[4-[[(phenylmethoxy)carbonyl]amino]butyl]-2,1-ethanediyl]]]bis-, bis(1,1-dimethylethyl) ester; tert-butyl N-[5-(benzyloxycarbonylamino)-1-[2-[[4-[2-[[6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoyl]amino]ethylamino]-9,10-dioxo-1-anthryl]amino]ethylcarbamoyl]pentyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684439	.	.	.	.	1049.2	C56H72N8O12	270	1750	8.7	76	8	14	32	"InChI=1S/C56H72N8O12/c1-55(2,3)75-53(71)63-43(25-15-17-29-61-51(69)73-35-37-19-9-7-10-20-37)49(67)59-33-31-57-41-27-28-42(46-45(41)47(65)39-23-13-14-24-40(39)48(46)66)58-32-34-60-50(68)44(64-54(72)76-56(4,5)6)26-16-18-30-62-52(70)74-36-38-21-11-8-12-22-38/h7-14,19-24,27-28,43-44,57-58H,15-18,25-26,29-36H2,1-6H3,(H,59,67)(H,60,68)(H,61,69)(H,62,70)(H,63,71)(H,64,72)"	CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NCCNC2=C3C(=C(C=C2)NCCNC(=O)C(CCCCNC(=O)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C)C(=O)C5=CC=CC=C5C3=O	HZOIYWISQLHOBB-UHFFFAOYSA-N
DG60439	NSC684440	438924	"2-amino-N-[2-[[4-[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]ethylamino]-9,10-dioxo-1-anthryl]amino]ethyl]-4-methylsulfanyl-butanamide; NSC684440; CHEMBL1994551; NSC-684440; NCI60_030363; 2-Amino-N-(2-((4-((2-((2-amino-4-(methylthio)butanoyl)amino)ethyl)amino)-9,10-dioxo-9,10-dihydro-1-anthracenyl)amino)ethyl)-4-(methylthio)butanamide; 2-amino-N-[2-[[4-[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]ethylamino]-9,10-dioxo-1-anthryl]amino]ethyl]-4-methylsulfanyl-butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684440	.	.	.	.	586.8	C28H38N6O4S2	219	797	2.8	40	6	10	16	"InChI=1S/C28H38N6O4S2/c1-39-15-9-19(29)27(37)33-13-11-31-21-7-8-22(32-12-14-34-28(38)20(30)10-16-40-2)24-23(21)25(35)17-5-3-4-6-18(17)26(24)36/h3-8,19-20,31-32H,9-16,29-30H2,1-2H3,(H,33,37)(H,34,38)"	CSCCC(C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)C(CCSC)N)C(=O)C3=CC=CC=C3C2=O)N	BHBWSRDZPMNWRN-UHFFFAOYSA-N
DG60440	NSC684441	438925	"tert-Butyl 1-(((2-((4-((2-((2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoyl)amino)ethyl)amino)-9,10-dioxo-9,10-dihydro-1-anthracenyl)amino)ethyl)amino)carbonyl)-3-(methylthio)propylcarbamate; NSC684441; CHEMBL1989638; NSC-684441; NCI60_030364; tert-Butyl 1-(((2-((4-((2-((2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoyl)amino)ethyl)amino)-9,10-dioxo-9,10-dihydro-1-anthracenyl)amino)ethyl)amino)carbonyl)-3-(methylthio)propylcarbamate; tert-butyl N-[1-[2-[[4-[2-[[2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]ethylamino]-9,10-dioxo-1-anthryl]amino]ethylcarbamoyl]-3-methylsulfanyl-propyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684441	.	.	.	.	787	C38H54N6O8S2	244	1200	6.1	54	6	12	22	"InChI=1S/C38H54N6O8S2/c1-37(2,3)51-35(49)43-27(15-21-53-7)33(47)41-19-17-39-25-13-14-26(30-29(25)31(45)23-11-9-10-12-24(23)32(30)46)40-18-20-42-34(48)28(16-22-54-8)44-36(50)52-38(4,5)6/h9-14,27-28,39-40H,15-22H2,1-8H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)"	CC(C)(C)OC(=O)NC(CCSC)C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)C(CCSC)NC(=O)OC(C)(C)C)C(=O)C3=CC=CC=C3C2=O	ZQYDFBSKVDYAMJ-UHFFFAOYSA-N
DG60441	"N-[2-[[9,10-dioxo-4-[2-(pyrrolidine-2-carbonylamino)ethylamino]-1-anthryl]amino]ethyl]pyrrolidine-2-carboxamide"	438926	"NSC684442; CHEMBL1996969; NSC-684442; NCI60_030365; N-(2-((9,10-Dioxo-4-((2-((2-pyrrolidinylcarbonyl)amino)ethyl)amino)-9,10-dihydro-1-anthracenyl)amino)ethyl)-2-pyrrolidinecarboxamide; N-[2-[[9,10-dioxo-4-[2-(pyrrolidine-2-carbonylamino)ethylamino]-1-anthryl]amino]ethyl]pyrrolidine-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684442	.	.	.	.	518.6	C28H34N6O4	141	813	2.8	38	6	8	10	"InChI=1S/C28H34N6O4/c35-25-17-5-1-2-6-18(17)26(36)24-20(32-14-16-34-28(38)22-8-4-12-30-22)10-9-19(23(24)25)31-13-15-33-27(37)21-7-3-11-29-21/h1-2,5-6,9-10,21-22,29-32H,3-4,7-8,11-16H2,(H,33,37)(H,34,38)"	C1CC(NC1)C(=O)NCCNC2=C3C(=C(C=C2)NCCNC(=O)C4CCCN4)C(=O)C5=CC=CC=C5C3=O	BKRUUJNVSXVUNH-UHFFFAOYSA-N
DG60442	NSC684443	438927	"Tert-butyl 2-[2-[[4-[2-[(1-tert-butoxycarbonylpyrrolidine-2-carbonyl)amino]ethylamino]-9,10-dioxo-1-anthryl]amino]ethylcarbamoyl]pyrrolidine-1-carboxylate; NSC684443; CHEMBL1983636; NSC-684443; NCI60_030366; tert-Butyl 2-(((2-((4-((2-(((1-(tert-butoxycarbonyl)-2-pyrrolidinyl)carbonyl)amino)ethyl)amino)-9,10-dioxo-9,10-dihydro-1-anthracenyl)amino)ethyl)amino)carbonyl)-1-pyrrolidinecarboxylate; tert-butyl 2-[2-[[4-[2-[(1-tert-butoxycarbonylpyrrolidine-2-carbonyl)amino]ethylamino]-9,10-dioxo-1-anthryl]amino]ethylcarbamoyl]pyrrolidine-1-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684443	.	.	.	.	718.8	C38H50N6O8	176	1240	5.4	52	4	10	14	"InChI=1S/C38H50N6O8/c1-37(2,3)51-35(49)43-21-9-13-27(43)33(47)41-19-17-39-25-15-16-26(30-29(25)31(45)23-11-7-8-12-24(23)32(30)46)40-18-20-42-34(48)28-14-10-22-44(28)36(50)52-38(4,5)6/h7-8,11-12,15-16,27-28,39-40H,9-10,13-14,17-22H2,1-6H3,(H,41,47)(H,42,48)"	CC(C)(C)OC(=O)N1CCCC1C(=O)NCCNC2=C3C(=C(C=C2)NCCNC(=O)C4CCCN4C(=O)OC(C)(C)C)C(=O)C5=CC=CC=C5C3=O	YOGPKBIUGTWTPM-UHFFFAOYSA-N
DG60443	NSC692228	438971	"2-((1-(Chloromethoxy)-2-(dimethylamino)ethyl)amino)-N-(2-((4-((2-((((1-(chloromethoxy)-2-(dimethylamino)ethyl)amino)((mercaptomethyl)amino)acetyl)amino)ethyl)amino)-5,8-dihydroxy-9,10-dioxo-9,10-dihydro-1-anthracenyl)amino)ethyl)-2-((mercaptomethyl)amino)acetamide; NSC692228; CHEMBL2003796; NSC-692228; NCI60_033079; 2-((1-(Chloromethoxy)-2-(dimethylamino)ethyl)amino)-N-(2-((4-((2-((((1-(chloromethoxy)-2-(dimethylamino)ethyl)amino)((mercaptomethyl)amino)acetyl)amino)ethyl)amino)-5,8-dihydroxy-9,10-dioxo-9,10-dihydro-1-anthracenyl)amino)ethyl)-2-((mercaptomethyl)amino)acetamide; 2-[[1-(chloromethoxy)-2-(dimethylamino)ethyl]amino]-N-[2-[[4-[2-[[2-[[1-(chloromethoxy)-2-(dimethylamino)ethyl]amino]-2-(sulfanylmethylamino)acetyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthryl]amino]ethyl]-2-(sulfanylmethylamino)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692228	.	.	.	.	863.9	C34H52Cl2N10O8S2	232	1150	2.7	56	12	18	26	"InChI=1S/C34H52Cl2N10O8S2/c1-45(2)13-23(53-15-35)43-31(41-17-55)33(51)39-11-9-37-19-5-6-20(26-25(19)29(49)27-21(47)7-8-22(48)28(27)30(26)50)38-10-12-40-34(52)32(42-18-56)44-24(54-16-36)14-46(3)4/h5-8,23-24,31-32,37-38,41-44,47-48,55-56H,9-18H2,1-4H3,(H,39,51)(H,40,52)"	CN(C)CC(NC(C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)C(NCS)NC(CN(C)C)OCCl)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCS)OCCl	QLRYIDUGEQXRPB-UHFFFAOYSA-N
DG60444	NSC695936	438992	"methanesulfonic acid;10-[3-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methylamino]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one; NSC695936; CHEMBL2006265; NSC-695936; 5-((3-((3-((9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino)propyl)(methyl)amino)propyl)amino)-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one methanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695936	.	.	.	.	734.9	C39H42N8O5S	176	1210	.	53	4	11	11	"InChI=1S/C38H38N8O2.CH4O3S/c1-22-25-15-18-41-38(33(25)23(2)32-27-21-24(48-4)11-12-28(27)42-35(22)32)40-17-8-20-45(3)19-7-16-39-29-13-14-30-36-34(29)37(47)26-9-5-6-10-31(26)46(36)44-43-30;1-5(2,3)4/h5-6,9-15,18,21,39,42H,7-8,16-17,19-20H2,1-4H3,(H,40,41);1H3,(H,2,3,4)"	CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCN(C)CCCNC5=C6C7=C(C=C5)N=NN7C8=CC=CC=C8C6=O.CS(=O)(=O)O	QJQKKTJBCRMOIH-UHFFFAOYSA-N
DG60445	NSC695937	438994	"4-(Hydroxy(oxido)amino)-1-((3-((3-((9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino)propyl)(methyl)amino)propyl)amino)-9(10H)-acridinone methanesulfonate; NSC695937; CHEMBL1965817; NSC-695937; 4-(Hydroxy(oxido)amino)-1-((3-((3-((9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino)propyl)(methyl)amino)propyl)amino)-9(10H)-acridinone methanesulfonate; 9-Acridinone,11-dimethyl- 6H-pyrido[4,3-b]carbazol-1-yl)amino]-3-propyl(methyl) amino]-3-propyl]amino]-4-nitro-, dimethane sulfonate salt; methanesulfonic acid; 1-[3-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methyl-amino]propylamino]-4-nitro-10H-acridin-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695937	.	.	.	.	753.9	C39H43N7O7S	203	1230	.	54	5	12	11	"InChI=1S/C38H39N7O4.CH4O3S/c1-22-25-15-18-41-38(33(25)23(2)32-27-21-24(49-4)11-12-29(27)42-35(22)32)40-17-8-20-44(3)19-7-16-39-30-13-14-31(45(47)48)36-34(30)37(46)26-9-5-6-10-28(26)43-36;1-5(2,3)4/h5-6,9-15,18,21,39,42H,7-8,16-17,19-20H2,1-4H3,(H,40,41)(H,43,46);1H3,(H,2,3,4)"	CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCN(C)CCCNC5=C6C(=C(C=C5)[N+](=O)[O-])NC7=CC=CC=C7C6=O.CS(=O)(=O)O	BXYVAHSOEYQNDI-UHFFFAOYSA-N
DG60446	NSC695938	438996	"methanesulfonic acid;10-[3-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methylamino]propylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one; NSC695938; CHEMBL1980060; NSC-695938; 5-((3-((3-((9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino)propyl)(methyl)amino)propyl)amino)-6H-imidazo[4,5,1-de]acridin-6-one methanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695938	.	.	.	.	733.9	C40H43N7O5S	163	1200	.	53	4	10	11	"InChI=1S/C39H39N7O2.CH4O3S/c1-23-26-15-18-42-39(34(26)24(2)33-28-21-25(48-4)11-12-29(28)44-36(23)33)41-17-8-20-45(3)19-7-16-40-30-13-14-31-37-35(30)38(47)27-9-5-6-10-32(27)46(37)22-43-31;1-5(2,3)4/h5-6,9-15,18,21-22,40,44H,7-8,16-17,19-20H2,1-4H3,(H,41,42);1H3,(H,2,3,4)"	CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCN(C)CCCNC5=C6C7=C(C=C5)N=CN7C8=CC=CC=C8C6=O.CS(=O)(=O)O	ABLJTBAUBGBFQE-UHFFFAOYSA-N
DG60447	NSC695941	439002	"Methanesulfonic acid;2-[3-[methyl-[3-[(8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-10-yl)amino]propyl]amino]propyl]-5-nitrobenzo[de]isoquinoline-1,3-dione; NSC695941; CHEMBL1994509; NSC-695941; 5-(Hydroxy(oxido)amino)-2-(3-(methyl(3-((6-oxo-6H-imidazo[4,5,1-de]acridin-5-yl)amino)propyl)amino)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione methanesulfonate; 6H-Imidazo[4,1-de]acridin-6-one, 5-[3-[[3-[[5-nitro-1,3-dioxo- 2H-benz[de]isoquinolin- 2-yl]propyl](methyl)amino]propyl]amino]-, dimethanesulfonate; methanesulfonic acid; 2-[3-[methyl-[3-[(oxo[ ]yl)amino]propyl]amino]propyl]-5-nitro-benzo[de]isoquinoline-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695941	.	.	.	.	684.7	C34H32N6O8S	196	1220	.	49	2	11	9	"InChI=1S/C33H28N6O5.CH4O3S/c1-36(15-6-16-37-32(41)23-9-4-7-20-17-21(39(43)44)18-24(28(20)23)33(37)42)14-5-13-34-25-11-12-26-30-29(25)31(40)22-8-2-3-10-27(22)38(30)19-35-26;1-5(2,3)4/h2-4,7-12,17-19,34H,5-6,13-16H2,1H3;1H3,(H,2,3,4)"	CN(CCCNC1=C2C3=C(C=C1)N=CN3C4=CC=CC=C4C2=O)CCCN5C(=O)C6=CC=CC7=CC(=CC(=C76)C5=O)[N+](=O)[O-].CS(=O)(=O)O	BHVKGSOVWRENOA-UHFFFAOYSA-N
DG60448	NSC695943	439006	"Methanesulfonic acid;10-[3-[2-[3-[(8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-10-yl)amino]propylamino]ethylamino]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one; NSC695943; CHEMBL1978632; NSC-695943; methanesulfonic acid; [3-[2-[3-[(oxo[ ]yl)amino]propylamino]ethylamino]propylamino][ ]one; 5-((3-((2-((3-((6-Oxo-6H-[1,2,3]triazolo[4,5,1-de]acridin-5-yl)amino)propyl)amino)ethyl)amino)propyl)amino)-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one methanesulfonate; 6H-[1,3]triazolo[4,5,1-de]acridin-6-one, 5,5'-[(1,2-ethanediyl)bis(imino)bis (3,1-propanediyl)bis(imino)]bis-, dimethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695943	.	.	.	.	708.8	C35H36N10O5S	206	1090	.	51	5	13	13	"InChI=1S/C34H32N10O2.CH4O3S/c45-33-21-7-1-3-9-27(21)43-31-25(39-41-43)13-11-23(29(31)33)37-17-5-15-35-19-20-36-16-6-18-38-24-12-14-26-32-30(24)34(46)22-8-2-4-10-28(22)44(32)42-40-26;1-5(2,3)4/h1-4,7-14,35-38H,5-6,15-20H2;1H3,(H,2,3,4)"	CS(=O)(=O)O.C1=CC=C2C(=C1)C(=O)C3=C(C=CC4=C3N2N=N4)NCCCNCCNCCCNC5=C6C7=C(C=C5)N=NN7C8=CC=CC=C8C6=O	LEVSXYILYJUZNR-UHFFFAOYSA-N
DG60449	NSC695945	439010	"10-[3-[4-[3-[(6-Chloro-2-methoxyacridin-9-yl)amino]propyl]piperazin-1-yl]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;methanesulfonic acid; NSC695945; CHEMBL2007458; NSC-695945; [3-[4-[3-[(6-chloro-2-methoxy-acridin-9-yl)amino]propyl]piperazin-1-yl]propylamino][ ]one; methanesulfonic acid; 5-((3-(4-(3-((6-Chloro-2-methoxy-9-acridinyl)amino)propyl)-1-piperazinyl)propyl)amino)-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one methanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695945	.	.	.	.	757.3	C38H41ClN8O5S	163	1170	.	53	3	12	11	"InChI=1S/C37H37ClN8O2.CH4O3S/c1-48-25-9-11-29-28(23-25)35(26-10-8-24(38)22-32(26)41-29)40-15-5-17-45-20-18-44(19-21-45)16-4-14-39-30-12-13-31-36-34(30)37(47)27-6-2-3-7-33(27)46(36)43-42-31;1-5(2,3)4/h2-3,6-13,22-23,39H,4-5,14-21H2,1H3,(H,40,41);1H3,(H,2,3,4)"	COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN4CCN(CC4)CCCNC5=C6C7=C(C=C5)N=NN7C8=CC=CC=C8C6=O.CS(=O)(=O)O	MJCHBLFVSPXRLS-UHFFFAOYSA-N
DG60450	"2-(4-Aminobutyl)-1,4-dihydroxyanthracene-9,10-dione;hydrochloride"	439019	NSC699139; CHEMBL1997573; NSC-699139	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699139	.	.	.	.	347.8	C18H18ClNO4	101	466	.	24	4	5	4	"InChI=1S/C18H17NO4.ClH/c19-8-4-3-5-10-9-13(20)14-15(16(10)21)18(23)12-7-2-1-6-11(12)17(14)22;/h1-2,6-7,9,20-21H,3-5,8,19H2;1H"	C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)O)CCCCN)O.Cl	ZVKHUYXHSZSTMN-UHFFFAOYSA-N
DG60451	NSC699148	439022	"[10-[2-(Diethylamino)ethylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] ethyl carbonate; NSC699148; CHEMBL1999152; NSC-699148; NCI60_035494"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699148	.	.	.	.	423.5	C22H25N5O4	98.6	645	4.1	31	1	8	10	"InChI=1S/C22H25N5O4/c1-4-26(5-2)12-11-23-16-8-9-17-20-19(16)21(28)15-13-14(31-22(29)30-6-3)7-10-18(15)27(20)25-24-17/h7-10,13,23H,4-6,11-12H2,1-3H3"	CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OC(=O)OCC	ZISQCARNIVGPNG-UHFFFAOYSA-N
DG60452	NSC699149	439023	"[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] propanoate; NSC699149; CHEMBL1994130; NSC-699149; NCI60_035495"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699149	.	.	.	.	393.4	C21H23N5O3	89.4	615	3.4	29	1	7	8	"InChI=1S/C21H23N5O3/c1-4-18(27)29-13-6-9-17-14(12-13)21(28)19-15(22-10-5-11-25(2)3)7-8-16-20(19)26(17)24-23-16/h6-9,12,22H,4-5,10-11H2,1-3H3"	CCC(=O)OC1=CC2=C(C=C1)N3C4=C(C=CC(=C4C2=O)NCCCN(C)C)N=N3	GANQTUGRZMHJPD-UHFFFAOYSA-N
DG60453	NSC699150	439024	"[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 4-nitrobenzoate; NSC699150; CHEMBL2004162; NSC-699150; NCI60_035496"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699150	.	.	.	.	486.5	C25H22N6O5	135	828	4.5	36	1	9	8	"InChI=1S/C25H22N6O5/c1-29(2)13-3-12-26-19-9-10-20-23-22(19)24(32)18-14-17(8-11-21(18)30(23)28-27-20)36-25(33)15-4-6-16(7-5-15)31(34)35/h4-11,14,26H,3,12-13H2,1-2H3"	CN(C)CCCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]	ZFHXKKGPURFZHT-UHFFFAOYSA-N
DG60454	NSC699151	439025	"[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] benzoate; NSC699151; CHEMBL1973227; NSC-699151; NCI60_035497"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699151	.	.	.	.	441.5	C25H23N5O3	89.4	712	4.6	33	1	7	8	"InChI=1S/C25H23N5O3/c1-29(2)14-6-13-26-19-10-11-20-23-22(19)24(31)18-15-17(9-12-21(18)30(23)28-27-20)33-25(32)16-7-4-3-5-8-16/h3-5,7-12,15,26H,6,13-14H2,1-2H3"	CN(C)CCCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OC(=O)C5=CC=CC=C5	RXAWNUPZPIHOOX-UHFFFAOYSA-N
DG60455	NSC699152	439026	"[10-[2-(Diethylamino)ethylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] acetate; NSC699152; CHEMBL1980821; SCHEMBL13498769; NSC-699152; NCI60_035498"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699152	.	.	.	.	393.4	C21H23N5O3	89.4	613	3.3	29	1	7	8	"InChI=1S/C21H23N5O3/c1-4-25(5-2)11-10-22-16-7-8-17-20-19(16)21(28)15-12-14(29-13(3)27)6-9-18(15)26(20)24-23-17/h6-9,12,22H,4-5,10-11H2,1-3H3"	CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OC(=O)C	UBYGDKSAOVCBIG-UHFFFAOYSA-N
DG60456	"N,N'-(1,2-Ethanediylbis(imino-2,1-ethanediyl))bis(9-methyl-1-phenazinecarboxamide)"	439035	"XR 5944; 343247-32-5; UNII-LJH9XG66Q9; LJH9XG66Q9; xr5944; N,N'-(1,2-Ethanediylbis(imino-2,1-ethanediyl))bis(9-methyl-1-phenazinecarboxamide); XR-5944; 1-Phenazinecarboxamide, N,N'-(1,2-ethanediylbis(imino-2,1-ethanediyl))bis(9-methyl-; 1-Phenazinecarboxamide, N,N'-[1,2-ethanediylbis(imino-2,1-ethanediyl)]bis[9-methyl-; MLN 944; CHEMBL30424; SCHEMBL626969; DTXSID10187891; NSC754366; DB06364; NSC-754366; 9-methyl-N-[2-[2-[2-[(9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]phenazine-1-carboxamide; N,N'-[Ethylenebis(iminoethylene)]bis(9-methylphenazine-1-carboxamide); N,NO Bis[2-(9-methylphenazine-1-carboxamido)ethyl]-1,2-ethanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754366	.	.	.	.	586.7	C34H34N8O2	134	878	3.5	44	4	8	11	"InChI=1S/C34H34N8O2/c1-21-7-3-11-25-29(21)41-31-23(9-5-13-27(31)39-25)33(43)37-19-17-35-15-16-36-18-20-38-34(44)24-10-6-14-28-32(24)42-30-22(2)8-4-12-26(30)40-28/h3-14,35-36H,15-20H2,1-2H3,(H,37,43)(H,38,44)"	CC1=C2C(=CC=C1)N=C3C=CC=C(C3=N2)C(=O)NCCNCCNCCNC(=O)C4=CC=CC5=NC6=CC=CC(=C6N=C54)C	SFOADSRLCHRTKT-UHFFFAOYSA-N
DG60457	NSC720689	439097	1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-9-oxo-10H-acridine-4-carboxamide;hydrochloride; NSC720689; CHEMBL1974596; NSC-720689	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720689	.	.	.	.	796.4	C43H54ClN9O4	150	1220	.	57	7	11	18	"InChI=1S/C43H53N9O4.ClH/c1-50(2)26-22-44-34-18-16-30(38-36(34)40(53)28-12-6-8-14-32(28)48-38)42(55)46-20-10-24-52(5)25-11-21-47-43(56)31-17-19-35(45-23-27-51(3)4)37-39(31)49-33-15-9-7-13-29(33)41(37)54;/h6-9,12-19,44-45H,10-11,20-27H2,1-5H3,(H,46,55)(H,47,56)(H,48,53)(H,49,54);1H"	CN(C)CCNC1=C2C(=C(C=C1)C(=O)NCCCN(C)CCCNC(=O)C3=C4C(=C(C=C3)NCCN(C)C)C(=O)C5=CC=CC=C5N4)NC6=CC=CC=C6C2=O.Cl	LQZMYEHNMQMVEW-UHFFFAOYSA-N
DG60459	Tosylphenylalanyl chloromethyl ketone	439647	"TPCK; 402-71-1; N-Tosyl-L-phenylalanine chloromethyl ketone; TOSYLPHENYLALANYL CHLOROMETHYL KETONE; N-Tosyl-L-phenylalanyl chloromethyl ketone; Tos-Phe-CH2Cl; N-p-Tosyl-L-phenylalanine chloromethyl ketone; L-1-Tosylamido-2-phenylethyl chloromethyl ketone; (S)-N-(4-Chloro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzenesulfonamide; l-N-(alpha-(Chloroacetyl)phenethyl)-p-toluenesulfonamide; N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide; CHEMBL60718; UNII-P598716LJT; MLS000028752; CHEBI:9642; P598716LJT; Benzenesulfonamide,N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-; SMR000058518; p-Toluenesulfonamide, N-(alpha-(chloroacetyl)phenethyl)-, (-)-; Benzenesulfonamide, N-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-4-methyl-, (S)-; N-(p-Toluenesulfonyl)-L-phenylalanine chloromethyl ketone; Benzenesulfonamide, N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-, (S)-; EINECS 206-954-6; Tosylphenylalanyl chloromethyl ketone, (L)-; BRN 2895215; L-Chloromethyl (2-phenyl-1-(p-toluenesulphonylamino)ethyl) ketone; Opera_ID_1094; Lopac-T-4376; Tosyl-Phe-CMK (TPCK); tosylphenylalanylchloromethane; Lopac0_001157; BSPBio_001541; KBioGR_000261; KBioSS_000261; L-1-p-Tosylamino-2-phenylethyl chloromethyl ketone; MLS001076075; MLS006010721; SCHEMBL927265; cid_439647; Tosyl-L-phenylalanylchloromethane; KBio2_000261; KBio2_002829; KBio2_005397; KBio3_000521; KBio3_000522; BRD5988; DTXSID60883376; Benzenesulfonamide, N-((1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl)-4-methyl-; Bio2_000261; Bio2_000741; HMS1361N03; HMS1791N03; HMS1989N03; HMS3263H15; HMS3402N03; ZINC901254; BRD-5988; Tox21_501157; 7793AH; BDBM50085363; CAS329306; MFCD00000935; NSC727365; PI-122; CCG-205231; LP01157; NSC 727365; NSC-727365; SDCCGSBI-0051124.P003; IDI1_034011; NCGC00016020-01; NCGC00094419-01; NCGC00094419-02; NCGC00094419-03; NCGC00094419-04; NCGC00094419-05; NCGC00094419-06; NCGC00094419-07; NCGC00261842-01; AS-35326; p-Tosyl-L-phenylalanine chloromethylketone; EU-0101157; N-P-tosyl-L-phenylalanyl chloromethyl ketone; T2810; C02088; L-1-Tosylamido-2-phenylethylchloromethyl ketone; T 4376; A873400; SR-01000076157; Q7827912; SR-01000076157-1; BRD-K07055988-001-02-4; L-1-TOSYLAMIDE-2-PHENYLETHYL-CHLOROMETHYL KETONE; l-N-(.alpha.-(Chloroacetyl)phenethyl)-p-toluenesulfonamide; (3S)-3-(p-Toluenesulfonyl)amino-1-chloro-4-phenyl-2-butanone; (S)-N-(4-Chloro-3-oxo-1-phenyl-2-butyl)-p-toluenesulfonamide; L-([Toluene-4-sulfonamido]-2-phenyl)ethyl chloromethyl ketone; p-Toluenesulfonamide, N-(.alpha.-(chloroacetyl)phenethyl)-, (-)-; N-[(1S)-1-benzyl-3-chloro-2-oxo-propyl]-4-methyl-benzenesulfonamide; N-p-Tosyl-L-phenylalanine chloromethyl ketone, >=97% (TLC), powder"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727365	.	.	.	.	351.8	C17H18ClNO3S	71.6	475	3.6	23	1	4	7	"InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1"	CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)CCl	MQUQNUAYKLCRME-INIZCTEOSA-N
DG60460	Pharmakon1600-01503908	441276	"C47H51NO14; Paclitaxel - Taxol; Spectrum_001536; CHEMBL48; Spectrum2_000872; Spectrum3_001057; Spectrum4_001197; Spectrum5_001491; Probes2_000350; Lopac0_001201; BSPBio_001152; BSPBio_002614; KBioGR_000492; KBioGR_001893; KBioSS_000492; KBioSS_002016; DivK1c_000441; SCHEMBL788187; SPECTRUM1503908; SPBio_000943; UPCMLD-DP108:001; UPCMLD-DP108:002; HMS501G03; KBio1_000441; KBio2_000492; KBio2_002016; KBio2_003060; KBio2_004584; KBio2_005628; KBio2_007152; KBio3_000903; KBio3_000904; KBio3_001834; NINDS_000441; Bio1_000362; Bio1_000851; Bio1_001340; Bio2_000416; Bio2_000896; HMS1362J13; HMS1792J13; HMS1922K08; HMS1990J13; HMS2093K15; HMS3412G15; HMS3676G15; Pharmakon1600-01503908; AC-675; CCG-40266; NSC758645; s1150; AKOS015894977; AKOS015960460; LMPR0104390001; LP01201; NSC-758645; SDCCGMLS-0066823.P001; SDCCGSBI-0051168.P004; IDI1_000441; IDI1_002171; SMP1_000228; NCGC00024995-02; NCGC00024995-03; NCGC00024995-04; NCGC00024995-05; NCGC00024995-06; NCGC00024995-07; NCGC00024995-08; NCGC00024995-09; NCGC00024995-10; NCGC00024995-13; NCGC00024995-43; AS-11004; BP-23960; SBI-0051168.P003; EU-0101201; P1632; C07394; T 7402; AB00172230-03; AB00172230_04; AB00172230_05; SR-01000597377; SR-01000597377-1; BRD-A28746609-001-02-4; BRD-A28746609-001-04-0; BRD-A28746609-001-05-7; [2aR-[2a ,4 ,4a ,6 ,9 ( R*, S*),11 ,12 ,12a ,12b ]]- -(Benzoylamino)- -hydroxy-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester benzenepropanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758645	.	.	.	.	853.9	C47H51NO14	221	1790	2.5	62	4	14	14	"InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38 ,40-,45+,46-,47+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-VAZQATRQSA-N
DG60461	Amiodarone hydrochloride	441325	"Amiodarone hydrochloride; 19774-82-4; Amiodarone HCL; Amiodar; Nexterone; Amiodarone (hydrochloride); Ritmocardyl; Pacerone; Trangorex; Uro-Septra; (2-Butylbenzofuran-3-yl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)methanone hydrochloride; UNII-976728SY6Z; 51087 N HCl; MLS000028520; SKF 33134-A; MFCD00069204; NSC-85442; Methanone,(2-butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]-,hydrochloride; 976728SY6Z; SMR000058296; 2-Butyl-3-benzofuryl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone hydrochloride; DSSTox_CID_17185; DSSTox_RID_79304; DSSTox_GSID_37185; (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride; Rythmarone; Angoron; Atlansil; Miodrone; Renodoron; Amiodaronum hydrochloride; 2-Butyl-3-benzofuranyl-4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl ketone hydrochloride; L 3428 labaz; SR-01000003087; NCGC00015096-12; CAS-19774-82-4; C25H30ClI2NO3; Ancaron; Miodaron; Ortacrone; Amio-Aqueous; HSDB 6525; Cordarone (TN); Nexterone (TN); Prestwick_707; Amiodarone hydrochloride [USP:JAN]; Ancaron (TN); EINECS 243-293-2; SKF 33134 A; NSC 85442; AmiodaroneHydrochloride; CPD000058296; Opera_ID_568; SCHEMBL41348; MLS001076313; MLS001424272; MLS002222247; SPECTRUM2300165; Amiodarone hydrochloride [JAN]; CHEBI:2664; Amiodarone hydrochloride solution; CHEMBL1083993; DTXSID7037185; Amiodarone hydrochloride - Bio-X; calcium channel (L type) blocker; HMS1569A20; Pharmakon1600-02300165; ACT02681; Amiodarone Hydrochloride, >/=98%; BCP13645; NSC85442; SKF-33134-A; Ketone,5-diiodophenyl, hydrochloride; Tox21_113478; Tox21_300395; Tox21_500122; AC-078; CCG-39607; NSC759560; PM-101; s1979; SK&F-33134-A; Amiodarone hydrochloride (JP17/USP); AKOS015844018; CS-1371; KS-5249; LP00122; NC00423; NSC-759560; {2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl}diethylamine hydrochloride; 2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone hydrochloride; NCGC00093613-01; NCGC00093613-02; NCGC00093613-03; NCGC00093613-04; NCGC00254295-01; NCGC00260807-01; BA139263; HY-14188; Methanone,5-diiodophenyl]-, hydrochloride; EU-0100122; FT-0622300; SW196856-4; A 8423; D00636; D86460; 774A824; Q-200626; SR-01000003087-2; SR-01000003087-8; WLN: T56 BOJ C4 DVR CI EI DO2N2&2 &GH; Q27271976; Z2210825534; Amiodarone Hydrochloride 1.0 mg/ml in Methanol (as free base); 2-Butyl-3-benzofuranyl 4-[(2-diethylamino)ethoxy] 3,5-diiodophenyl ketone, hydrochloride; Ketone, 2-butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl, hydrochloride; (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydron;chloride; (2-Butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone hydrochloride (1:1); Amiodarone hydrochloride solution, 1.0 mg/mL in methanol (as free base), ampule of 1 mL, certified reference material; Methanone, (2-butyl-3-benzofuranyl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)-, hydrochloride (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85442	.	.	.	.	681.8	C25H30ClI2NO3	42.7	547	.	32	1	4	11	"InChI=1S/C25H29I2NO3.ClH/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3;/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3;1H"	CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl	ITPDYQOUSLNIHG-UHFFFAOYSA-N
DG60462	Pancratistatin	441597	"Pancratistatin; 96203-70-2; CHEBI:7906; (1R,2S,3S,4S,4aR,11bR)-1,2,3,4,7-pentahydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one; (+)-Pancratistatin; NSC349156; MLS002701837; SCHEMBL93612; CHEMBL419335; ZINC4097654; NSC-349156; SMP1_000217; NCI60_003105; B844009K070; C08535; Q7130395; [1,5-j]phenanthridin-6(2H)-one, 1,3,4,4a,5,11b-hexahydro-1,2,3,4,7-pentahydroxy-,"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	349156	.	.	.	.	325.27	C14H15NO8	149	503	-1.6	23	6	8	0	"InChI=1S/C14H15NO8/c16-8-5-3-1-4-13(23-2-22-4)9(17)6(3)14(21)15-7(5)10(18)12(20)11(8)19/h1,5,7-8,10-12,16-20H,2H2,(H,15,21)/t5-,7-,8-,10+,11+,12+/m1/s1"	C1OC2=C(O1)C(=C3C(=C2)[C@@H]4[C@H]([C@@H]([C@@H]([C@H]([C@@H]4O)O)O)O)NC3=O)O	VREZDOWOLGNDPW-ALTGWBOUSA-N
DG60463	Glaucarubinone	441796	"Glaucarubinone; 1259-86-5; (+)-Glaucarubinone; MLS002703011; CHEBI:5371; NSC 277286; NSC132791; AC1L9BOD; CHEMBL458347; SCHEMBL1276887; Butyric acid, 4-ester with 1,3a.beta.,4,7,7a.alpha.,11,11a,11b.alpha.-octahydro-1.alpha.,2.alpha.,4.beta.,11.beta.-tetrahydroxy-3.alpha.,8,11a.beta.-trimethyl-2H-1,11c.beta.-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6a.beta.H)-dione; Picras-3-ene-2, 11,20-epoxy-1,11,12-trihydroxy-15-(2-hydroxy-2-methyl-1-oxobutoxy)-, [1.beta.,11.beta.,12.alpha.,15.beta.(S)]-; NSC-132791; NCI60_000722; C08763; Q27106736; (S)-(1R,2R,3R,3aS,3a1S,4R,6aR,7aS,11S,11aS,11bR)-1,2,11-Trihydroxy-3,8,11a-trimethyl-5,10-dioxo-2,3,3a,4,5,6a,7,7a,10,11,11a,11b-dodecahydro-1H-1,3a1-(epoxymethano)dibenzo[de,g]chromen-4-yl 2-hydroxy-2-methylbutanoate; Butyric acid, 4-ester with 1,3ab,4,7,7aa,11,11a,11ba-octahydro-1a,2a,4b,11b-tetrahydroxy-3a,8,11ab-trimethyl-2H-1,11cb-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6abH)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132791	.	.	.	.	494.5	C25H34O10	160	1020	0.1	35	4	10	4	"InChI=1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-12,14-18,20,27-28,31-32H,6,8-9H2,1-5H3/t11-,12+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1"	CC[C@@](C)(C(=O)O[C@@H]1[C@H]2[C@H]([C@H]([C@]3([C@H]4[C@@]2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O)C)O	WRBGCYVAJRRQKP-STDAJNJZSA-N
DG60464	Autumnolide	442171	"AUTUMNOLIDE; 20505-32-2; NSC249995; C09346; (1R,2S,3S,7R,9R,10S,11R,13S,14R)-2,14-dihydroxy-1,9-dimethyl-4-methylidene-6,12-dioxatetracyclo[8.4.0.03,7.011,13]tetradecan-5-one; AC1L9CDN; CHEBI:2933; DTXSID00331760; Q27105889"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	249995	.	.	.	.	280.32	C15H20O5	79.3	503	0.7	20	2	5	0	"InChI=1S/C15H20O5/c1-5-4-7-8(6(2)14(18)19-7)12(16)15(3)9(5)10-11(20-10)13(15)17/h5,7-13,16-17H,2,4H2,1,3H3/t5-,7-,8-,9-,10-,11-,12+,13+,15-/m1/s1"	C[C@@H]1C[C@@H]2[C@H]([C@@H]([C@]3([C@H]1[C@@H]4[C@H]([C@@H]3O)O4)C)O)C(=C)C(=O)O2	NWSWVIKHALGAER-KVLFNOHQSA-N
DG60465	Fastigilin B	442241	"Fastigilin B; FASTIGILIIN B; 6995-11-5; CHEBI:4982; CHEMBL1213003; NSC176503; [(1S,3aS,4R,5S,5aS,8aR,9S,9aS)-4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate; AC1L9CH2; DTXSID30331778; C09451; Q27106605"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176503	.	.	.	.	362.4	C20H26O6	89.9	703	2.6	26	1	6	3	"InChI=1S/C20H26O6/c1-9(2)8-14(22)25-18-15-11(4)19(24)26-17(15)16(23)10(3)12-6-7-13(21)20(12,18)5/h6-8,10-12,15-18,23H,1-5H3/t10-,11-,12-,15+,16+,17-,18-,20-/m0/s1"	C[C@H]1[C@@H]2C=CC(=O)[C@]2([C@H]([C@@H]3[C@@H](C(=O)O[C@@H]3[C@@H]1O)C)OC(=O)C=C(C)C)C	DLISCHVYLYGCNV-HJDABSCOSA-N
DG60466	Cyclopamine	442972	"CYCLOPAMINE; 11-Deoxojervine; 4449-51-8; 11-Deoxyjervine; UNII-ZH658AJ192; CHEBI:4021; CHEMBL254129; ZH658AJ192; Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol, 1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)- (9CI); (3beta,22S,23R)-17,23-epoxyveratraman-3-ol; HSDB 3505; CY8; [3H]-Cyclopamine; MFCD09878269; Jervine, 11-deoxo-; DSSTox_CID_23709; DSSTox_RID_80067; DSSTox_GSID_43709; SCHEMBL29153; BSPBio_001032; MLS006010945; Veratraman-3-ol, 17,23-epoxy-, (3beta,23beta)-; Jervine, 11-deoxo- (7CI); DTXSID6043709; GTPL10328; AOB1606; EX-A952; BCPP000271; HMS1792D13; HMS1990D13; HMS3403D13; ZINC4098868; Tox21_300632; BDBM50232973; NSC734950; s1146; AKOS024456709; BCP9000568; CCG-208181; CS-0633; NSC 734950; NSC-734950; NCGC00163474-03; NCGC00163474-04; NCGC00163474-07; NCGC00254431-01; AC-34305; HY-17024; SMR001822854; CAS-4449-51-8; (3beta23R)-17,23-Epoxyveratraman-3-ol; F16272; SR-05000002357; Veratraman-3-ol,23-epoxy-, (3-beta,23-beta)-; Q-200904; Q3271319; SR-05000002357-2; BRD-K58938839-001-03-8; (3alpha,8alpha,14beta,22S,23R)-17,23-epoxyveratraman-3-ol; Veratraman-3-ol, 17,23-epoxy-, (3-beta,23-beta)- (9CI); (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-Octadecahydro-3',6',10,11b-tetramethylspiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol; (2'R,3S,3'R,3a'S,6aS,6bS,6'S,7a'R,11aS,11bR)-3',6',10,11b-tetramethyl-1,2,3,3a',4,4',5',6,6a,6b,6',7,7',7a',8,11,11a,11b-octadecahydro-3'H-spiro[benzo[a]fluorene-9,2'-furo[3,2-b]pyridin]-3-ol; 11051-96-0; Spiro(9H-benzo(a)fluorene-9,2-b)pyridin)-3-o l, 1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octa deca hydro-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734950	.	.	.	.	411.6	C27H41NO2	41.5	801	3.5	30	2	3	0	"InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1"	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	QASFUMOKHFSJGL-LAFRSMQTSA-N
DG60467	2-Chlorophenylhydrazine hydrochloride	443287	"2-Chlorophenylhydrazine hydrochloride; 41052-75-9; (2-chlorophenyl)hydrazine hydrochloride; o-Chlorophenylhydrazine hydrochloride; 2-Chlorophenylhydrazine, HCl; 1-(2-chlorophenyl)hydrazine hydrochloride; o-Chlorophenylhydrazine HCl; MFCD00012928; Hydrazine, (2-chlorophenyl)-, monohydrochloride; 2-Chloro Phenyl Hydrazine Hydrochloride; CHEBI:1046; 2-chlorophenyl hydrazine hydrochloride; 2-chlorophenylhydrazine, chloride; 2-Chlorophenylhydrazine HCl; SCHEMBL103678; PARAGOS 530240; PARAGOS 530348; 2-chlorophenylhydrazine HCl salt; CHEMBL2006059; ALINDA ALBB-005963; TIMTEC-BB SBB017145; DTXSID30961413; OTAVA-BB 1156642; ACT12543; o-chlorophenylhydrazine-hydrochloride; STR00333; LABOTEST-BB LT01147702; LABOTEST-BB LT01147712; NSC100723; SBB058433; (2-CHLOROPHENYL)HYDRAZINE HCL; 2-chlorophenylhydrazine hydro-chloride; AKOS008029766; (2-chlorophenyl)hydrazine.hydrochloride; AC-9803; ACN-000244; AS01997; CS-W002086; MCULE-9063585010; NSC-100723; (o-Chlorophenyl)hydrazizne hydrochloride; (2-chloro-phenyl)-hydrazine hydrochloride; 2-chlorophenylhydrazine hydrochloride salt; H245; 2-Chlorophenylhydrazine hydrochloride, 97%; DB-049708; AM20061054; C0826; FT-0612001; EN300-08048; (2-Chlorophenyl)hydrazine--hydrogen chloride (1/1); J-500718; Q27105396"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	100723	.	.	.	.	179.04	C6H8Cl2N2	38	87.1	.	10	3	2	1	"InChI=1S/C6H7ClN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1H"	C1=CC=C(C(=C1)NN)Cl.Cl	ADODRSVGNHNKAT-UHFFFAOYSA-N
DG60468	Flumethasone pivalate	443980	"FLUMETHASONE PIVALATE; Locorten; 2002-29-1; Locacorten; Lorinden; Flumetasone pivalate; Flumethasone 21-pivalate; NSC 107680; UNII-0DV09X6F21; MLS000069558; MLS001077304; CHEBI:31620; 0DV09X6F21; NSC107680; NSC-107680; SMR000058824; Flumethasone-21-pivalate; Locorten (TN); C27H36F2O6; Flumetasone 21-pivalate; Flumethasone pivalate (USP); 6.Alpha.,9.alpha.-Difluoro-16.alpha.-methylprednisolone 21-pivalate; Flumetasone pivalate (JAN/BAN); Flumethasone pivalate [USAN:USP]; NCGC00022408-03; Flumethsone pivalate; EINECS 217-901-1; flumethasone-pivalate; Flumethasome pivalate; KS-1138; Opera_ID_1461; SCHEMBL6968; [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate; GTPL7075; CHEMBL1200877; 6alpha,9alpha-Difluoro-16alpha-methylprednisolone 21-pivalate; HMS2231D24; HMS3715L14; ZINC3977985; AKOS015964841; AC-2070; CCG-221256; 6,9-Difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl pivalate; NCGC00022408-04; 6alpha,9-Difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-pivalate; 6alpha,9-difluoro-11beta,17-dihydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl 2,2-dimethylpropanoate; D01464; 002F291; Q-101376; Q20817117; Flumethasone pivalate, British Pharmacopoeia (BP) Reference Standard; Flumethasone pivalate, European Pharmacopoeia (EP) Reference Standard; Flumethasone pivalate, United States Pharmacopeia (USP) Reference Standard; [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 2,2-dimethylpropanoate; 2-((6S,9R,10S,11S,13S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl pivalate; 2-[(1R,2S,8S,10S,11S,13R,14R,15S,17S)-1,8-difluoro-14,17-dihydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl]-2-oxoethyl 2,2-dimethylpropanoate; 6.Alpha.,9-Difluoro-11.beta.,17,21-trihydroxy-16.alpha.-methylpregna-1,4-diene-3,20-dione 21-pivalate; 6alpha,9alpha-Difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione, 21-pivalate; Pregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11, 17-dihydroxy-16-methyl-, (6.alpha.,11.beta.,16.alpha.)-; Pregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11,17-dihydroxy-16-methyl-, (6alpha,11beta,16alpha)-; Pregna-1,4-diene-3,20-dione, 6-alpha,9-difluoro-11-beta,17,21-trihydroxy-16-alpha-methyl-, 21-pivalate; Pregna-1,4-diene-3,20-dione, 6alpha,9-difluoro-11beta,17,21-trihydroxy-16alpha-methyl-, 21-pivalate (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	107680	.	.	.	.	494.6	C27H36F2O6	101	1030	3.9	35	2	8	5	"InChI=1S/C27H36F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,24+,25+,26+,27+/m1/s1"	C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C(C)(C)C)O)C)O)F)C)F	JWRMHDSINXPDHB-OJAGFMMFSA-N
DG60469	Retinol	445354	"retinol; Vitamin A; all-trans-Retinol; 68-26-8; Vitamin A1; Alphalin; Axerophthol; Afaxin; Vitamin A alcohol; Oleovitamin A; Chocola A; Alphasterol; Apostavit; Aquasynth; Biosterol; Epiteliol; Ophthalamin; Agiolan; Agoncal; Anatola; Myvpack; Prepalin; Testavol; Veroftal; Aoral; Apexol; Avibon; Avitol; Axerol; Dofsol; trans-retinol; Vaflol; Vitpex; Vogan; Disatabs Tabs; Lard Factor; all-trans-Retinyl alcohol; Bentavit A; Dohyfral A; Alcovit A; Anatola A; Vogan-Neu; A-Mulsal; Plivit A; Vi-Alpha; A-Vitan; All-trans retinol; Atars; Vafol; all-trans-Vitamin A alcohol; Retrovitamin A; Homagenets Aoral; A-Sol; Hi-A-Vita; Sehkraft A; Vitamin A1 alcohol; all-trans-Vitamin A; A-Vi-Pel; ACON; ATAV; Vi-Dom-A; Super A; Anti-infective vitamin; Solu-A; Nio-A-Let; Vio-A; Antixerophthalmic vitamin; 11103-57-4; Del-VI-A; Vitavel A; Thalasphere; beta-Retinol; trans-Vitamin A alcohol; Vitamin A alcohol, all-trans-; Vitamin A1, all-trans-; Retinol, all trans-; all-trans-Vitamin A1; Vitamin A Oil; UNII-G2SH0XKK91; .beta.-Retinol; (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol; (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol; Vitamin A1 alcohol, all-trans-; (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol; MFCD00001552; CHEMBL986; G2SH0XKK91; 2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-; Axerophtholum; CHEBI:17336; Wachstumsvitamin; Vitaminum A; Vitamine A; Vitavel-A; VITAMINA; NSC-122759; Retinolo [DCIT]; NCGC00017343-07; Cylasphere; Retinolo; Retinolum; Retinol [INN:BAN]; DSSTox_CID_3556; Hydrovit A; Retinolum [INN-Latin]; 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol; DSSTox_RID_77080; DSSTox_GSID_23556; Ro-a-vit; tROL; Vitamin A alcohol (VAN); Vi-a; Antixerophthalmisches Vitamin; Aquasol A Parenteral; Vi-alpha; Vi-alpha; Rovimix A 500; Vitamin A1 alcohol, all trans; Retinol solution; CAS-68-26-8; SMR000112036; Retinol (Vit A); [11,12-3H]-Retinol; 9-cis,13-cis-Retinol; Vitamin A (USP); CCRIS 5444; HSDB 815; Vitamin A [Natural]; SR-01000763813; Retin-11,12-t2-ol (9CI); EINECS 200-683-7; NSC 122759; BRN 0403040; Tegosphere VitA; .alpha.sterol; b-Retinol; .alpha.lin; Retinyl A; trans-Retinol acid (Vitamin A); 1rbp; Vi-.alpha.; EINECS 234-328-2; 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclchexen-1-yl)-2,4,6,8-nonatetraen-1-ol; (9Z)-Retinol; 1gx8; Retinol-(cellular-retinol-binding-protein); Spectrum5_000993; Spectrum5_001997; Retinol, 95%, synthetic; EC 200-683-7; all-trans vitamin A alcohol; SCHEMBL3112; 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonate-traen-1-ol; 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol, (all-E)-; Alcohol 9,13-dimethyl-7-(1,1,5-trimethyl-6-cyclohexen-5-yl)-7,9,11,13-nonatetraen-15-ol; all-trans-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol; BIDD:PXR0102; 4-06-00-04133 (Beilstein Handbook Reference); MLS001066379; MLS001074751; MLS006010008; Retinol, all-trans- (8CI); SPECTRUM1501203; GTPL4053; Vitamin A; ; ; Retinoid analogues; DTXSID3023556; HMS501I08; Zinc-ethylenebis(dithiocarbamate); all-trans-13,14-Dihydro retinol; HMS1921B04; HMS2092L13; HMS2270C05; Pharmakon1600-01501203; BCP06593; HY-B1342; ZINC3831417; Tox21_110818; Tox21_202441; Tox21_300287; BDBM50092056; CCG-38864; LMPR01090001; NSC122759; NSC758150; s5592; AKOS015902578; DB00162; NSC-758150; SDCCGMLS-0066724.P001; (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetr aen-1-ol; IDI1_000486; Retinol solution, >=95.0% (HPLC); SMP2_000102; NCGC00017343-02; NCGC00017343-03; NCGC00017343-04; NCGC00017343-05; NCGC00017343-06; NCGC00017343-08; NCGC00017343-09; NCGC00017343-11; NCGC00091784-01; NCGC00091784-02; NCGC00091784-03; NCGC00091784-04; NCGC00091784-05; NCGC00091784-06; NCGC00254024-01; NCGC00259990-01; AC-11701; BS-17906; SBI-0051690.P002; CS-0013091; C00473; C17276; D06543; AB00052248_05; 103V574; A836068; Q424976; Retinol, >=95.0% (HPLC), ~2700 U/mg; Retinol, synthetic, >=95% (HPLC), crystalline; J-014834; J-017515; Q-201926; SR-01000763813-2; SR-01000763813-4; W-104683; BRD-K22429181-001-06-8; BRD-K64634304-001-01-5; WLN: L6UTJ A1 B1U1Y1&U2U1Y1&U2Q C1 C1; Retinol, BioXtra, >=97.5% (HPLC), ~3100 U/mg; UNII-81G40H8B0T component FPIPGXGPPPQFEQ-OVSJKPMPSA-N; 3,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol; 2,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-; 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol, all (E)-; (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-1-nona-2,4,6,8-tetraenol; (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraen-1-ol; (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraen-1-ol; (2Z,4Z,6Z,8Z)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetren-1-ol; Retinol solution, 100 mug/mL +/- 25% (Refer to COA) (Ethanol with 0.1% (w/v) BHT), ampule of 1 mL, certified reference material"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	122759	.	.	.	.	286.5	C20H30O	20.2	496	5.7	21	1	1	5	"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+"	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C	FPIPGXGPPPQFEQ-OVSJKPMPSA-N
DG60470	Latrunculin a	445420	"latrunculin a; LAT-A; LatA; 76343-93-6; (+)-latrunculin A; UNII-SRQ9WWM084; NSC 613011; SRQ9WWM084; CHEBI:69136; NSC613011; (4R)-4-[(1R,4Z,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one; C22H31NO5S; (R)-4-((1R,4Z,8E,10Z,12S,15R,17R)-17-Hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl)thiazolidin-2-one; 2-Thiazolidinone, 4-((1R,4Z,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo(13.3.1)nonadeca-4,8,10-trien-17-yl)-, (4R)-; 2-Thiazolidinone, 4-[(1R,4Z,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-, (4R)-; CHEMBL404116; SCHEMBL12998892; BDBM65515; DTXSID90893488; ZINC5766575; AKOS024457907; DB02621; NSC-613011; 2-Thiazolidinone, 4-(17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo(13.3.1)nonadeca-4,8,10-trien-17-yl)-, (1R*,4Z,8E,10Z,12S*,15R*,17R*(R*))-(+)-; 4-(17-HYDROXY-5,12-DIMETHYL-3-OXO-2,16-DIOXABICYCLO[13.3.1]NONADECA-4,8,10-TRIEN-17-YL)-2-THIAZOLIDINONE; HY-16929; B7555; CS-0012976; Q4255014; Latrunculin A, from sea sponge, >=85% (HPLC), waxy solid; (4R)-4-[(1R,4S,5Z,7E,11Z,15R,17R)-17-hydroxy-4,11-dimethyl-13-oxo-14,18-dioxabicyclo[13.3.1]nonadeca-5,7,11-trien-17-yl]thiazolidin-2-one; 2-Thiazolidinone,12-dimethyl-3-oxo-2,16- dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl)-, [1R-[1R*,4Z,8E,10Z,12S*,15R*,17R*(R*)]]-; 4-[(1R,4Z,8E,10Z,12S,15R, 17R)-17-Hydroxy-5,12-dimethyl-3-oxo -2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17 -yl)-2-thiazolidinone; 4-[(1R,4Z,8E,10Z,12S,15R, 17R)-17-Hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl)-2-thiazolidinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	613011	.	.	.	.	421.6	C22H31NO5S	110	703	3.7	29	2	6	1	"InChI=1S/C22H31NO5S/c1-15-7-5-3-4-6-8-16(2)11-20(24)27-18-12-17(10-9-15)28-22(26,13-18)19-14-29-21(25)23-19/h3-5,7,11,15,17-19,26H,6,8-10,12-14H2,1-2H3,(H,23,25)/b4-3+,7-5-,16-11-/t15-,17-,18-,19+,22-/m1/s1"	C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)/C=C(\\CC/C=C/C=C1)/C	DDVBPZROPPMBLW-IZGXTMSKSA-N
DG60471	Microcystin-LR	445434	"Microcystin-LR; Microcystin LR; 101043-37-2; Cyanoginosin LR; Toxin-LR; Microcystis aeruginosa toxin; Toxin I (Microcystis aeruginosa); UNII-EQ8332842Y; Cyanoginosin LA, 5-L-arginine-; CHEBI:6925; CHEMBL444092; MCYST-LR; C49H74N10O12; EQ8332842Y; Cyanoginosin-LR; (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid; Akerstox; toxin I, cyanobacterium; Microcystin-a; 1,7-anhydro[D-alanyl-L-leucyl-(3S)-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl-D-gamma-glutamyl-2,3-didehydro-N-methylalanine]; cyclo[2,3-didehydro-N-methylalanyl-D-alanyl-L-leucyl-erythro-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl-D-gamma-glutamyl]; cyclo[D-alanyl-L-leucyl-(3S)-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl-D-gamma-glutamyl-2,3-didehydro-N-methylalanyl]; 5-L-Argininecyanoginosin LA; 5-L-Arginine-microcystin LA; cyclo(Ala-Leu-MAsp-Arg-Adda-isoGlu-Mdha); HSDB 7751; Toxin T 17 (Microcystis aeruginosa); BRN 4779759; Toxin, blue green alga, Microcystis aeruginosa; GTPL4735; SCHEMBL21245230; HY-P0072; 1859AH; 2545AH; BDBM50061067; NSC733608; ZINC169715525; CS-5404; NSC 733608; NSC-733608; M2912; C05371; Q6839436; Microcystin-LR solution, 10 mug/mL in methanol, analytical standard; 15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid; 15-(3-Guanidino-propyl)-8-isobutyl-18-(6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid; 8-[3-amino(imino)methylaminopropyl]-15-isobutyl-5-[6-methoxy-3,5-dimethyl-7-phenyl-(1E,3E)-1,3-heptadienyl]-4,11,18,22-tetramethyl-21-methylene-3,7,10,14,17,20,23-heptaoxo-2,6,9,13,16,19,22-heptaazacyclopentacosane-1,12-dicarboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733608	.	.	.	.	995.2	C49H74N10O12	343	2000	2.3	71	10	13	15	"InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1"	C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C	ZYZCGGRZINLQBL-GWRQVWKTSA-N
DG60472	Oleic acid	445639	"oleic acid; 112-80-1; cis-9-Octadecenoic acid; oleate; (Z)-Octadec-9-enoic acid; Elaidoic acid; cis-Oleic acid; Glycon wo; Wecoline OO; Vopcolene 27; Pamolyn 100; Glycon RO; Metaupon; Oelsauere; Groco 5l; Groco 2; Groco 4; Groco 6; Tego-oleic 130; Emersol 211; cis-Octadec-9-enoic acid; Industrene 105; Industrene 205; Industrene 206; Pamolyn; Z-9-Octadecenoic acid; 9-Octadecenoic acid (Z)-; Oleinic acid; Emersol 210; Emersol 213; L'Acide oleique; 9Z-Octadecenoic acid; Century cd fatty acid; Emersol 6321; Extraolein 90; Oleine 7503; 9-Octadecenoic acid (9Z)-; Elainic acid; Emersol 205; Emersol 233LL; Hy-phi 1055; Hy-phi 1088; Hy-phi 2066; Hy-phi 2088; Hy-phi 2102; Elaic acid; Priolene 6906; 9-octadecenoic acid; White oleic acid; Wochem no. 320; (9Z)-octadec-9-enoic acid; 9-Octadecenoic acid, (Z)-; Emersol 220 white oleic acid; Extra Oleic 80R; Extra Oleic 90; Extra Oleic 99; Extra Olein 80; Extra Olein 90R; Lunac O-CA; Lunac O-LL; Lunac O-P; neo-Fat 92-04; Priolene 6907; Priolene 6928; Priolene 6930; Priolene 6933; Emersol 6313NF; cis-Oleate; delta9-cis-Oleic acid; (9Z)-Octadecenoic acid; FEMA No. 2815; FEMA Number 2815; D 100 (fatty acid); Emersol 221 low titer white oleic acid; K 52; Oelsaeure; 9-cis-Octadecenoic acid; HSDB 1240; Red oil; UNII-2UMI9U37CP; D 100; Oleic acid [NF]; 9-octadecylenic acid; Emersol 233; 18:1Delta9cis; CHEBI:16196; 9,10-Octadecenoic acid; C18:1n-9; neo-Fat 90-04; .delta.9-cis-Oleic acid; 9-(Z)-octadecenoic acid; (Z)-9-Octadecanoic acid; 9-Octadecenoic acid, cis-; cis-.delta.9-Octadecenoate; 2UMI9U37CP; CHEMBL8659; cis-.delta.9-Octadecenoic acid; cis-Delta(9)-octadecenoic acid; NSC9856; NSC-9856; Oleic acid (NF); MFCD00064242; C18:1 n-9; Octadec-9-enoic acid; NCGC00091119-02; 18:1 n-9; C18:1; cis-9-octadecenoate; (9Z)- Octadecenoic acid; DSSTox_CID_5809; Oleic acid, pure; DSSTox_RID_77930; DSSTox_GSID_25809; Oleic acid (natural); Caswell No. 619; Wecoline OO (VAN); Acide oleique [French]; Acide oleique; cis-delta9-octadecenoic acid; l'Acide oleique [French]; CAS-112-80-1; SMR000326739; CCRIS 682; NAA 35; Sulfurized oleic acid; Sulphurized oleic acid; Oleic acid, sulfurized; cis-delta(sup 9)-Octadecenoic acid; NSC 9856; EINECS 204-007-1; EPA Pesticide Chemical Code 031702; (9Z)-9-Octadecenoic acid; 9-Octadecenoic acid (9Z)-, sulfurized; BRN 1726542; Distoline; Oleinate; oleaic acid; Rapinic acid; AI3-01291; 1gni; 1hms; 1vyf; 2lkk; Oleic acid Liquid; Lunac OA; Edenor ATiO5; Edenor FTiO5; Industrene 104; Z-9-Octadecenoate; EINECS 270-164-8; Oleic acid, p.a.; Emersol 213NF; Emersol 214NF; OLEICACID; Pamolyn 125; Priolene 6900; Priolene 6936; 9,10-Octadecenoate; 9-Octadecenoic acid (Z)-, sulfurized; Oleic acid (8CI); oleic acid extra pure; cis-Octadec-9-enoate; Pamolyn 100 FG; Pamolyn 100 FGK; 9-(Z)-octadecenoate; Emersol 7021; (Z)-9-Octadecanoate; Emersol 6313 NF; Emersol 6333 NF; Oleic acid-9,10-t; (9Z)-9-Octadecenoate; z-octadeca-9-enoic acid; Epitope ID:187036; Oleic acid, natural, FCC; Emersol 220 White Oleate; Oleic acid, technical grade; SCHEMBL1138; Delta9-cis-Octadecenoic acid; WLN: QV8U9-C; 4-02-00-01641 (Beilstein Handbook Reference); 68412-07-7; MLS001056779; MLS002153498; MLS002454427; 9-octadecenoic acid, (9Z)-; (9Z)-9-Octadecenoic acid #; GTPL1054; Oleic acid, analytical standard; DTXSID1025809; Oleic acid, >=93% (GC); Oleic acid, >=99% (GC); REGID_for_CID_445639; 1g74; s158; HMS2234O13; HMS3649H21; HMS3885H18; Oleic acid, technical grade, 90%; HY-N1446; ZINC6845860; Tox21_111086; Tox21_201967; Tox21_303324; BDBM50150484; HSCI1_000362; LMFA01030002; s4707; 9-Octadecenoic acid (9Z)- (9CI); cis-9-Octadecenoic-9,10-3H2 acid; Emersol 221 Low Titer White Oleate; AKOS017343225; cis-.delta.(sup 9)-Octadecenoic acid; AT13415; CCG-267270; FA 18:1; 9-Octadecenoic-9,10-t2 acid, (Z)-; NCGC00091119-01; NCGC00091119-03; NCGC00257233-01; NCGC00259516-01; AC-33767; AS-16066; BP-24023; Oleic acid, SAJ first grade, >=70.0%; Oleic acid, Selectophore(TM), >=99.0%; CS-0016886; O0011; O0180; C00712; D02315; Oleic acid, from suet, natural, >=60% (GC); AB00641912_08; 9-Octadecenoic-9,10-t2 acid, (9Z)- (9CI); A894525; Oleic acid, suitable for cell culture, BioReagent; Q207688; SR-01000780573; SR-01000780573-6; F0001-0262; Oleic acid, certified reference material, TraceCERT(R); Oleic acid, European Pharmacopoeia (EP) Reference Standard; UNII-13FB83DEYU component ZQPPMHVWECSIRJ-KTKRTIGZSA-N; UNII-44NH37HHP9 component ZQPPMHVWECSIRJ-KTKRTIGZSA-N; UNII-5U9XZ261ER component ZQPPMHVWECSIRJ-KTKRTIGZSA-N; UNII-7N137Q0QYJ component ZQPPMHVWECSIRJ-KTKRTIGZSA-N; UNII-96GS7P39SN component ZQPPMHVWECSIRJ-KTKRTIGZSA-N; UNII-9B22238JYI component ZQPPMHVWECSIRJ-KTKRTIGZSA-N; UNII-B6G0Y5Z616 component ZQPPMHVWECSIRJ-KTKRTIGZSA-N; UNII-HBA528N3PW component ZQPPMHVWECSIRJ-KTKRTIGZSA-N; UNII-MO7HV04S9Y component ZQPPMHVWECSIRJ-KTKRTIGZSA-N; UNII-ODL221H4AM component ZQPPMHVWECSIRJ-KTKRTIGZSA-N; UNII-UDR641JW8W component ZQPPMHVWECSIRJ-KTKRTIGZSA-N; UNII-V1PY73ZXPE component ZQPPMHVWECSIRJ-KTKRTIGZSA-N; 459CE4C0-C836-4249-8E2D-69874B714E9C; UNII-79P21R4317 component ZQPPMHVWECSIRJ-KTKRTIGZSA-N; Oleic acid, United States Pharmacopeia (USP) Reference Standard; Oleic acid, meets analytical specification of Ph, Eur., 65.0-88.0% (GC); Oleic Acid, Pharmaceutical Secondary Standard; Certified Reference Material; Oleic Acid-Water Soluble, powder, BioReagent, suitable for cell culture; Ole; Oleic acid, PharmaGrade, Manufactured under appropriate controls for use as raw material in pharma or biopharmaceutical production."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9856	.	.	.	.	282.5	C18H34O2	37.3	234	6.5	20	1	2	15	"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-"	CCCCCCCC/C=C\\CCCCCCCC(=O)O	ZQPPMHVWECSIRJ-KTKRTIGZSA-N
DG60474	Mycophenolic acid	446541	"mycophenolic acid; 24280-93-1; Mycophenolate; Melbex; Myfortic; Mycophenolsaeure; Lilly-68618; 6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid; 483-60-3; Acido micofenolico; Micofenolico acido; NSC-129185; Acide mycophenolique; Acidum mycophenolicum; (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid; CCRIS 5565; NSC 129185; UNII-HU9DX48N0T; (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid; Ly 68618; (E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid; (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid; 6-(1,3-Dihydro-7-hydroxy-5-methoxy-4-methyl-1-oxoisobenzofuran-6-yl)-4-methyl-4-hexanoic acid; MFCD00036814; Lilly 68618; CHEMBL866; HU9DX48N0T; CHEBI:168396; TNP00198; RS-61443 [AS MOFETIL]; NSC129185; 4-Hexenoic acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, (E)-; 4-Methyl-5-methoxy-7-hydroxy-6-(5-carboxy-3-methylpent-2-en-1-yl)-phthalide (E)-; 6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid (E)-; 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (E)-; NCGC00016786-01; CAS-24280-93-1; 6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methylhex-4-enoic acid; DSSTox_CID_21070; DSSTox_RID_79619; DSSTox_GSID_41070; Mycophenolic acid-d3 solution; Mycophenoic acid; 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid; Micofenolico acido [Spanish]; (E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid; 6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid; MOA; SMR000471887; Acido micofenolico [INN-Spanish]; Acide mycophenolique [INN-French]; Acidum mycophenolicum [INN-Latin]; SR-01000597602; EINECS 246-119-3; mycophenolic-acid; Prestwick_817; EINECS 207-595-8; Mycophenolic acid [USAN:INN:BAN]; Tocris-1505; (Z)-Mycophenolic Acid; 1jr1; Mycophenolic acid (TN); Prestwick2_000556; Prestwick3_000556; Spectrum5_001654; Mycophenolic Acid (MPA); Mycophenolic acid solution; UPCMLD-DP028; 4-Hexenoic acid, (E)-; EC 246-119-3; Mycophenolate;RS-61443; SCHEMBL4549; Mycophenolic (Mycophenolate); Mycophenolic acid, >=98%; BSPBio_000631; BSPBio_002534; MLS001074701; MLS002222265; MLS002695945; BIDD:GT0456; SPECTRUM1500674; BPBio1_000695; GTPL6832; MEGxm0_000120; Mycophenolic acid (USAN/INN); Myfortic (mycophenolate sodium); SCHEMBL2514376; ZINC1758; DTXSID4041070; UPCMLD-DP028:001; ACon0_000960; ACon1_000496; BDBM19264; CHEBI:92545; HMS500H08; AOB5506; EX-A975; HMS1569P13; HMS1921A18; HMS2089A17; HMS2092G22; HMS2096P13; HMS2268H22; HMS3403P09; HMS3412F09; HMS3676F09; Pharmakon1600-01500674; ACT02623; AMY40494; BCP05321; HY-B0421; Tox21_110610; BBL034696; CCG-39914; NSC757424; s2487; STL419986; Mycophenolic acid, analytical standard; AKOS015888214; Tox21_110610_1; AC-4491; BCP9000970; DB01024; DS-1638; MCULE-1991681277; NSC-757424; SDCCGMLS-0066618.P001; (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid; IDI1_000146; NCGC00016786-02; NCGC00016786-03; NCGC00016786-04; NCGC00016786-05; NCGC00016786-06; NCGC00016786-07; NCGC00016786-08; NCGC00016786-09; NCGC00016786-10; NCGC00016786-11; NCGC00016786-12; NCGC00016786-15; NCGC00025190-01; NCGC00025190-02; NCGC00025190-03; NCGC00025190-04; NCGC00025190-05; NCGC00025190-07; NCGC00025190-08; NCGC00025190-09; NCGC00025190-10; (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxohydroisobenzofuran-5-yl)-4-methylhex -4-enoic acid; 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (4E)-; BM164624; Mycophenolic Acid - CAS 24280-93-1; SBI-0051945.P003; A-249; M2216; SW196951-2; C20380; D05096; M 5255; M02087; AB00052466-13; AB00052466-14; AB00052466_15; AB00052466_16; Mycophenolic acid 100 microg/mL in Acetonitrile; 280M931; A817192; Mycophenolate mofetil impurity, mycophenolic acid-; Q420553; SR-01000597602-1; SR-01000597602-3; SR-01000597602-4; BRD-K63750851-001-06-6; BRD-K63750851-001-13-2; Mycophenolic acid, powder, BioReagent, suitable for cell culture, >=98%; 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthanlanyl)-4-methyl-4-hexanoic acid; (4E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic Acid (Mycophenolic Acid); (E)-6-(1,3-dihydro-4-hydroxy-6- methoxy-7-methyl-3-oxoisobenzofuran-5-yl)-4-methyl-4-hexenoic acid; (E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxoisobenzofuran-5-yl)-4-methyl-4-hexenoic acid; 1162256-90-7; 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (4E)- (9CI); 4-Hexenoic acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, (E)- (8CI); 4-Hexenoic acid,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5- isobenzofuranyl)-4-methyl-, (E)-; 4-Hexenoic acid,6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (4E)-; 4-Methyl-6-[3-oxo-7-methyl-4-hydroxy-6-methoxy-1,3-dihydroisobenzofuran-5-yl]-4-hexenoic acid; 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid; E-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid; Mycophenolic acid solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129185	.	.	.	.	320.3	C17H20O6	93.1	486	3.2	23	2	6	6	"InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+"	CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\\C)/CCC(=O)O)O	HPNSFSBZBAHARI-RUDMXATFSA-N
DG60475	Sparsomysin	447106	"SPARSOMYCIN; Sparsomysin; 1404-64-4; NSC59729; Upjohn Antibiotic 155b1t; NSC 59729; SKI 28430; Antibiotic from Streptomyces Sparsogenes; B 120121L19; U 19183; NSC-59729; 2-Propenamide,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, (S-(E))-; 2-Propenamide,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, [S-(E)]-; 2-Propenamide, N-(1-(hydroxymethyl)-2-(((methylthio)methyl)sulfinyl)ethyl)-3-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, (S-(E))-; CHEMBL38707; (E)-N-[(2S)-1-hydroxy-3-(methylsulfanylmethylsulfinyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide; 2-Propenamide,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, [R-[R*,S*-(E)]]-; 5-[(S)-3-Oxo-6-[[(methylthio)methyl]sulfinyl]-5-(hydroxymethyl)-4-aza-1-hexene-1-yl]-6-methyl-pyrimidine-2,4(1H,3H)-dione; 5-Pyrimidineacrylamide,2,3,4-tetrahydro-N-[1-(hydroxymethyl)-2-[[(methylthio)methyl]sulfinyl]ethyl]-6-methyl-2,4-dioxo-, (E)-, (1S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	59729	.	.	.	.	361.4	C13H19N3O5S2	169	574	-1.7	23	4	7	8	"InChI=1S/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+/t9-,23 /m0/s1"	CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)N[C@@H](CO)CS(=O)CSC	XKLZIVIOZDNKEQ-RVUDUMFNSA-N
DG60476	"6-(2,6-Dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-D]pyrimidin-7(8H)-one"	447700	"185039-91-2; PD166326; PD-166326; Pd 166326; UNII-0H77F2T4U3; 0H77F2T4U3; 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE; 6-(2,6-dichlorophenyl)-2-((3-(hydroxymethyl)phenyl)amino)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one; PD-0166326; SCHEMBL256710; BDBM3085; CHEMBL327127; ZINC2047503; NSC735424; DB08339; NSC-735424; 6-(2,6-dichlorophenyl)-2-[3-(hydroxymethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one; 6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one; Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-(2,6-dichlorophenyl)-2-((3-(hydroxymethyl)phenyl)amino)-8-methyl-; HY-118144; CS-0065282; PD166326, >=98% (HPLC); Q27097555; 2-(3-(hydroxymethyl)phenylamino)-6-(2,3-d]pyrimidin-7(8H)-one; 6-(2,6-Dichlorophenyl)-2-(3-hydroxymethylphenylamino)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one; 6-(2,6-Dichlorophenyl)-2-[[3-(hydroxymethyl)phenyl]amino]-8-methyl-pyrido[2,3-d]pyrimidin-7(8H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735424	.	.	.	.	427.3	C21H16Cl2N4O2	78.4	624	4	29	2	5	4	"InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)"	CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC=CC(=C4)CO	ZIQFYVPVJZEOFS-UHFFFAOYSA-N
DG60477	Epothilone D	447865	"Epothilone D; Desoxyepothilone b; 189453-10-9; (-)-Desoxyepothilone B; 12,13-Desoxyepothilone B; KOS-862; (-)-Epothilone D; KOS 862; Epothilon D; 12,13-Deoxyepothilone B; UNII-T0358E0YUF; NSC-703147; NSC 703147; T0358E0YUF; Oxacyclohexadec-13-ene-2,6-dione, 4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-, (4S,7R,8S,9S,13Z,16S)-; CHEBI:29579; (4S,7R,8S,9S,16S,Z)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)oxacyclohexadec-13-ene-2,6-dione; EPD; epothilone-D; Epothiolone D; dEpoB; DEpoB cpd; Epo D; (E)-Epothilone D; Epothilone B, desoxy; SCHEMBL4415; 12,13-Desoxy-Epothilone B; CHEMBL96172; Z-12,13-desoxyepothilone B; KOS862; 12,13-desoxyepothilone b, cis; DTXSID70880053; EX-A495; ZINC3951739; Biologically synthesized Epothilone D; LMPK04000001; MFCD27976357; NSC703147; NSC721085; AKOS025401598; AM81237; CS-0655; DB01873; NSC-721085; (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione; (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione; AC-22616; HY-15278; R1492; A880448; (4S,7R,8S,9s,13Z,16S)-4,8-Dihydroxy-5,5,7,9,13-pentamethyl-16-(1e)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl-oxacyclohexadec-13-ene-2,6-dione; (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]oxacyclohexadec-13-ene-2,6-dione; (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]oxacyclohexadec-13-ene-2,6-dione; (4S-(4R*,8R*,9R*,13Z,16R*(E)))-4,8-Dihydroxy-5,5,7,9,13-pentamethyl-16-(1-methyl-2-(2-methyl-4-thiazolyl)ethenyl)oxacyclohexadec-13-ene-2,6-dione; Desoxyepothilone B; (3S,7S,14S,15S,16R)-3,15-Dihydroxy-2,2,10,14,16-pentamethyl-7-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-6-oxacyclohexadec-9-ene-1,5-dione; KOS-862; ; ; 12,13-Desoxyepothilone B; ; ; (4S,7R,8S,9S,13Z,16S)-4,8-Dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione; Oxacyclohexadec-13-ene-2,6-dione, 4,6-dihydroxy-5,5,7,9,13-pentamethyl-16-((1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl)-, (4S,7R,8S,9S,13Z,16S)-; Oxacyclohexadec-13-ene-2,6-dione, 4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-(1-methyl-2-(2-methyl-4-thiazolyl)ethenyl)-, (4S-(4R*,7S,8R*,9R*,13Z,16R*(E)))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703147	.	.	.	.	491.7	C27H41NO5S	125	777	5	34	2	7	2	"InChI=1S/C27H41NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1"	C[C@H]1CCC/C(=C\\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/C)/C	XOZIUKBZLSUILX-GIQCAXHBSA-N
DG60478	Y-27632 dihydrochloride	448042	"y-27632; 146986-50-7; Y-27632 dihydrochloride; Y27632; Y 27632; UNII-0X370ROP6H; cyclohexanecarboxamide, 4-[(1R)-1-aminoethyl]-N-4-pyridinyl-, trans-; 4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide; 0X370ROP6H; CHEBI:75393; 4-[(1R)-1-aminoethyl]-N-(pyridin-4-yl)cyclohexane-1-carboxamide; (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE; (1R,4r)-4-((R)-1-aminoethyl)-N-(pyridin-4-yl)cyclohexanecarboxamide; (R)-(+)-trans-N-(4-pyridyl)-4-(1-aminoethyl)-cyclohexanecarboxamide; Y27; (R)-Trans-4-(1-Aminoethyl)-N-(4-Pyridyl)cyclohexanecarboxamide; 2etr; 2gnf; 2gnj; 1q8t; (1R,4r)-4-((R)-1-aminoethyl)-N-(pyridin-4-yl)cyclohexane-1-carboxamide dihydrochloride; (R)-(+)-trans-4-(1-Aminoethyl)-N-(4-Pyridyl)cyclohexanecarboxamide dihydrochloride; BiomolKI_000071; Y27632 dihydrochloride; BiomolKI2_000075; Y-27632, free base; CBiol_001962; BSPBio_001234; KBioGR_000574; KBioSS_000574; 521059-79-0; SCHEMBL598993; CHEMBL559147; GTPL5290; ROCK Inhibitor, Y-27632; SCHEMBL1980406; SCHEMBL7804373; ZINC6989; CHEMBL1083134; CHEMBL1188380; DTXSID7043740; SCHEMBL13970844; SCHEMBL18935698; Y-27632DIHYDROCHLORIDE; BDBM14029; BDBM86729; CHEBI:92773; KBio2_000574; KBio2_003142; KBio2_005710; KBio3_001027; KBio3_001028; 4-[(1R)-1-aminoethyl]-N-(4-pyridyl)cyclohexanecarboxamide; BCPP000008; Bio1_000248; Bio1_000737; Bio1_001226; Bio2_000457; Bio2_000937; HMS1362N15; HMS1792N15; HMS1990N15; HMS3403N15; BDBM50319631; NSC751297; s6390; (1R,4r)-4-[(1R)-1-aminoethyl]-N-(pyridin-4-yl)cyclohexane-1-carboxamide; AKOS026750241; AKOS028109253; ZINC100002002; ZINC252286763; AM81233; CCG-204428; CS-0131; DB08756; NSC-751297; IDI1_002212; SMP2_000199; NCGC00092276-02; NCGC00092276-03; NCGC00092276-04; NCGC00092276-05; NCGC00092276-06; NCGC00092276-07; NCGC00092276-08; NCGC00092276-09; NCGC00092276-10; NCGC00387412-04; AS-77772; HY-10071; CAS_146986-50-7; A25646; J-008296; J-525164; Q6584634; BRD-K44084986-001-03-9; BRD-K44084986-300-02-7; (R)-4-(1-Aminoethyl)-N-(pyridin-4-yl)cyclohexanecarboxamide; trans-4-((R)-1-Aminoethyl)-N-(pyridin-4-yl)cyclohexanecarboxamide; trans-4-[(1R)-1-aminoethyl]-N-(pyridin-4-yl)cyclohexanecarboxamide; trans-4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexanecarboxamide; (1R,4r)-4-((R)-1-aminoethyl)-N-(pyridin-4-yl)cyclohexane-1-carboxamide; (R)-(+)-trans-4-(1-Aminoethyl)-N-(4-Pyridyl)cyclohexanecarboxamide; [+]-[R]-trans-4-[1-aminoethyl]-N-[4-pyridyl]cyclohexanecarboxamide; Cyclohexanecarboxamide, 4-(1-aminoethyl)-N-4-pyridinyl-, [4(R)-trans]-; Cyclohexanecarboxamide, 4-[(1R)-1-aminoethyl]-N-4-pyridinyl-, trans- (9CI); trans-4-[(1R)-1-Aminoethyl]-N-4-pyridinylcyclohexanecar boxamide dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751297	.	.	.	.	247.34	C14H21N3O	68	268	0.9	18	2	3	3	"InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11 ,12 /m1/s1"	C[C@H](C1CCC(CC1)C(=O)NC2=CC=NC=C2)N	IYOZTVGMEWJPKR-VOMCLLRMSA-N
DG60479	(S)-2-Methyl-1-[(4-methyl-5-isoquinoline)sulfonyl]-homopiperazine	448043	"H-1152; 451462-58-1; (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE; H-1152P; CHEBI:88220; 4-methyl-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline; dimethylfasudil; (S)-4-Methyl-5-((2-methyl-1,4-diazepan-1-yl)sulfonyl)isoquinoline; (S)-H-1152 (hydrochloride); H52; dimethyl fasudil; 4-methyl-5-{[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl}isoquinoline; 2gnh; 2gnl; 1q8u; H 1152; SCHEMBL124161; CHEMBL406821; BDBM14028; ZINC22706; DTXSID20735620; BCP16935; 3714AH; NSC780205; CS-1536; DB07876; NSC-780205; NCGC00378616-03; HY-15720; Q27097084; (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane; 4-methyl-5-[(2S)-2-methyl-1,4-diazepane-1-sulfonyl]isoquinoline; (s)-(+)-2-methyl-1-[(4-methyl-5-isoquinolinyl)sulfonyl]-homopiperazine; (S)-(+)-2-Methyl-1-[(4-methyl-5-isoquinolinyl)sulfonyl]homopiperazine; 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-1-]sulfonyl}isoquinoline; (S)-(+)-2-Methyl-1-[(4-methyl-5-isoquinolinyl)sulfonyl] -hexahydro-1H-1,4-diazepine dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780205	.	.	.	.	319.4	C16H21N3O2S	70.7	476	1.7	22	1	5	2	"InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1"	C[C@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C	AWDORCFLUJZUQS-ZDUSSCGKSA-N
DG60480	Epothilone A	448799	"Epothilone A; 152044-53-6; (-)-Epothilone A; Epothilon A; Epo A; Epoa; Epothilone-A; UNII-51E07YBX96; CHEBI:31549; 51E07YBX96; (1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-5,7,9,9-tetramethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione; epothile; Epothilone A [MI]; Epothilones; SCHEMBL4775; CHEMBL329993; CHEBI:94722; DTXSID10332288; EX-A2056; ZINC3951738; LMPK04000040; NSC684362; s1297; AKOS025401597; BCP9000654; CCG-269643; NSC-684362; NCGC00346505-02; (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione; 4,17-Dioxabicyclo(14.1.0)heptadecane-5,9-dione, 7,11-dihydroxy-8,8,10,12-tetramethyl-3-((1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl)-, (1S,3S,7S,10R,11S,12S,16R)-; AC-22615; HY-13503; CS-0007126; E78311; J-008878; BRD-K71823332-001-01-1; BRD-K71823332-001-03-7; Q27104197; (-)-Epothilone A, from Sorangium cellulosum, >95% (HPLC), solid; (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione; (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione; (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione; (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione; (1S,7S,10R,11S,12S,16R)-7-Hydroxy-11-(S)-hydroxy-8,8,10,12-tetramethyl-3-[(E)-1-methyl-2-(2-methyl-thiazol-4-yl)-vinyl]-4,17-dioxa-bicyclo[14.1.0]heptadecane-5,9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684362	.	.	.	.	493.7	C26H39NO6S	138	770	4	34	2	8	2	"InChI=1S/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20-,21-,22-,24-/m0/s1"	C[C@H]1CCC[C@@H]2[C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C	HESCAJZNRMSMJG-KKQRBIROSA-N
DG60481	"N,N'-Bis[1-methyl-2-[[1-methyl-2-[(amidinoethyl)aminocarbonyl]-4-pyrrolyl]aminocarbonyl]-4-pyrrolyl]suberamide"	454485	"NSC633963; N,N'-bis[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]octanediamide; Suberamide dihydrochloride der.; N,N'-Bis[1-methyl-2-[[1-methyl-2-[(amidinoethyl)aminocarbonyl]-4-pyrrolyl]aminocarbonyl]-4-pyrrolyl]suberamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633963	.	.	.	.	802.9	C38H54N14O6+2	298	1380	-2	58	10	6	21	"InChI=1S/C38H52N14O6/c1-49-21-25(17-27(49)35(55)43-13-11-31(39)40)47-37(57)29-15-23(19-51(29)3)45-33(53)9-7-5-6-8-10-34(54)46-24-16-30(52(4)20-24)38(58)48-26-18-28(50(2)22-26)36(56)44-14-12-32(41)42/h15-22H,5-14H2,1-4H3,(H3,39,40)(H3,41,42)(H,43,55)(H,44,56)(H,45,53)(H,46,54)(H,47,57)(H,48,58)/p+2"	CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=[NH2+])N)C)NC(=O)CCCCCCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=[NH2+])N)C)C	KVNUFHCWUFUAQY-UHFFFAOYSA-P
DG60482	"N,N'-bis[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]nonanediamide"	454486	"NSC633964; N,N'-bis[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]nonanediamide; Azelamide dihydrochloride der.; N-[5-(N-{5-[N-(2-Amidinoethyl)carbamoyl]-1-methylpyrrol-3-yl}carbamoyl)-1-methylpyrrol-3-yl]-N'-[5-(N-{5-[N-(2-amidinoethyl)carbamoyl]-1-methylpyrrol-3-yl}carbamoyl)-1-methylpyrrol-3-yl]nonane-1,4-diamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633964	.	.	.	.	817	C39H56N14O6+2	298	1400	-1.4	59	10	6	22	"InChI=1S/C39H54N14O6/c1-50-22-26(18-28(50)36(56)44-14-12-32(40)41)48-38(58)30-16-24(20-52(30)3)46-34(54)10-8-6-5-7-9-11-35(55)47-25-17-31(53(4)21-25)39(59)49-27-19-29(51(2)23-27)37(57)45-15-13-33(42)43/h16-23H,5-15H2,1-4H3,(H3,40,41)(H3,42,43)(H,44,56)(H,45,57)(H,46,54)(H,47,55)(H,48,58)(H,49,59)/p+2"	CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=[NH2+])N)C)NC(=O)CCCCCCCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=[NH2+])N)C)C	FDZUWFCMWTVYOM-UHFFFAOYSA-P
DG60483	"N,N'-bis[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]dodecanediamide"	454496	"NSC634699; N,N'-bis[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]dodecanediamide; N-[5-(N-{5-[N-(2-amidinoethyl)carbamoyl]-1-methylpyrrol-3-yl}carbamoyl)-1-methylpyrrol-3-yl]-N'-[5-(N-{5-[N-(2-amidinoethyl)carbamoyl]-1-methylpyrrol-3-yl}carbamoyl)-1-methylpyrrol-3-yl]dodecane-1,12-diamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634699	.	.	.	.	859	C42H62N14O6+2	298	1440	0.2	62	10	6	25	"InChI=1S/C42H60N14O6/c1-53-25-29(21-31(53)39(59)47-17-15-35(43)44)51-41(61)33-19-27(23-55(33)3)49-37(57)13-11-9-7-5-6-8-10-12-14-38(58)50-28-20-34(56(4)24-28)42(62)52-30-22-32(54(2)26-30)40(60)48-18-16-36(45)46/h19-26H,5-18H2,1-4H3,(H3,43,44)(H3,45,46)(H,47,59)(H,48,60)(H,49,57)(H,50,58)(H,51,61)(H,52,62)/p+2"	CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=[NH2+])N)C)NC(=O)CCCCCCCCCCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=[NH2+])N)C)C	KKCKFTINHCTAFI-UHFFFAOYSA-P
DG60484	(+)-Mefloquine	456309	"(+)-Mefloquine; mefloquine; (+)-(11R,2'S)-erythro-Mefloquine; 51688-68-7; (R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol; CHEBI:63684; (R)-(2,8-bis(trifluoromethyl)quinolin-4-yl)((S)-piperidin-2-yl)methanol; (R)-[2,8-bis(trifluoromethyl)quinolin-4-yl][(2S)-piperidin-2-yl]methanol; [(11R,2'S)-2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol; 53230-10-7; RTI1188-1-1; 51744-83-3; RO 13-7224; (S,R)-MEFLOQUINE; NSC157387; (R)-[2,8-bis(trifluoromethyl)-4-quinolyl]-[(2S)-2-piperidyl]methanol; GNF-Pf-5559; RTI1189-1-1; YMZ; RO 13-7225; Lariam (Hydrochloride); Mefloquine + Proveblue; (R,S)-MEFLOQUINE; CHEMBL411329; SCHEMBL6327051; C17H16F6N2O; DTXSID60199641; Ro 21-5998 (Hydrochloride); ZINC897089; BDBM50377446; NSC790108; AKOS025310184; (-)-(11R,2'S)-erythro-Mefloquine; MCULE-2465134793; NSC-790108; RTI1169-1-1; V2258; WR-142,490; A828764; Q27132723; UNII-TML814419R component XEEQGYMUWCZPDN-SWLSCSKDSA-N; (1R)-(2,8-bis(trifluoromethyl)quinolin-4-yl)(piperidin-2-yl)methanol; (R)-[2,8-bis(trifluoromethyl)-4-quinolinyl]-[(2S)-2-piperidinyl]methanol; (+/-)-erythro-4-Quinolinemethanol, .alpha.-2-piperidinyl-2,8-bis(trifluoromethyl)-; 4-Quinolinemethanol, .alpha.-(2S)-2-piperidinyl-2,8-bis(trifluoromethyl)-, (.alpha.R)-; 4-Quinolinemethanol, alpha-(2S)-2-piperidinyl-2,8-bis(trifluoromethyl)-, (alphaR)-; 4-Quinolinemethanol, alpha-2-piperidinyl-2,8-bis(trifluoromethyl)-, (R*,S*)-(+/-)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157387	.	.	.	.	378.31	C17H16F6N2O	45.2	483	3.6	26	2	9	2	"InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1"	C1CCN[C@@H](C1)[C@@H](C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O	XEEQGYMUWCZPDN-SWLSCSKDSA-N
DG60485	L-Cysteine analog	457392	"L-Cysteine analog; NSC303861; 51785-99-0; L-Cystein, ethyl ester, methylcarbamate (ester); L-Cysteine, ethyl ester, methylcarbamate (ester),monohydrochloride; L-Cystein analog; NSC-303861; CHEMBL1997812; ethyl 2-amino-3-(methylcarbamoylsulfanyl)propanoate; L-Cysteine, methylcarbamate (ester), monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	303861	.	.	.	.	242.72	C7H15ClN2O3S	107	187	.	14	3	5	6	"InChI=1S/C7H14N2O3S.ClH/c1-3-12-6(10)5(8)4-13-7(11)9-2;/h5H,3-4,8H2,1-2H3,(H,9,11);1H"	CCOC(=O)C(CSC(=O)NC)N.Cl	LYLDPAYWSCPRTI-UHFFFAOYSA-N
DG60486	Tallysomycin S2B	457398	"TALLYSOMYCIN S2B; NSC304425; 13-[(4-Amino-4,6-dideoxy-.alpha.-L-talopyranosyl)oxy]-19-dimethyl-N(1)-[3-(dimethylsulfonio)propyl]-12-hydroxy-bleomycinamide, chloride, trihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	304425	.	.	.	.	1723.5	C60H96Cl4N18O26S3	790	2940	.	111	27	38	38	"InChI=1S/C60H92N18O26S3.4ClH/c1-19-34(75-49(77-47(19)64)24(10-31(62)83)69-12-23(61)48(65)92)51(94)76-36(44(25-13-67-18-70-25)101-59-46(40(88)37(85)29(14-79)100-59)102-58-42(90)45(103-60(66)97)38(86)30(15-80)99-58)53(96)71-20(2)28(82)11-32(84)74-35(21(3)81)52(95)78-54(104-57-41(89)39(87)33(63)22(4)98-57)43(91)56-73-27(17-106-56)55-72-26(16-105-55)50(93)68-8-7-9-107(5)6;;;;/h13,16-18,20-24,28-30,33,35-46,54,57-59,69,79-82,85-91H,7-12,14-15,61,63H2,1-6H3,(H13-,62,64,65,66,67,68,70,71,74,75,76,77,78,83,84,92,93,94,95,96,97);4*1H"	CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCC[S+](C)C)O)NC(=O)C(C(C)O)NC(=O)CC(C(C)NC(=O)C(C(C4=CN=CN4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)OC(=O)N)O)NC(=O)C7=C(C(=NC(=N7)C(CC(=O)N)NCC(C(=O)N)N)N)C)O)O)O)N.Cl.Cl.Cl.[Cl-]	MXUCFRFQDAOIHI-UHFFFAOYSA-N
DG60487	Ferric dimethoxy-sulfanyl-thioxo-$l^{5}-phosphane	457406	NSC650875; ferric dimethoxy-sulfanyl-thioxo-$l^{5}-phosphane; Tris((mercapto(dimethoxy)phosphoranylidene)-4-sulfanyl)iron	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650875	.	.	.	.	527.4	C6H18FeO6P3S6	155	77.4	.	22	0	12	6	"InChI=1S/3C2H7O2PS2.Fe/c3*1-3-5(6,7)4-2;/h3*1-2H3,(H,6,7);/q;;;+3/p-3"	COP(=S)(OC)[S-].COP(=S)(OC)[S-].COP(=S)(OC)[S-].[Fe+3]	KKJRKJZHITWQKO-UHFFFAOYSA-K
DG60488	Unitop	457682	"Unitop; NSC136768; UNII-Q728680892; Ro 7-4488/1; Bis(6-methoxy-1-phenazinol-5,10-dioxidato)-copper; Q27287067; Q728680892; copper 6-methoxy-5,10-dioxido-phenazine-5,10-diium-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136768	.	.	.	.	578	C26H18CuN4O8	163	509	.	39	0	10	2	"InChI=1S/2C13H9N2O4.Cu/c2*1-19-11-7-3-5-9-13(11)15(18)8-4-2-6-10(16)12(8)14(9)17;/h2*2-7H,1H3;/q2*-1;+2"	COC1=CC=CC2=C1N(C3=CC=CC(=O)C3=[N+]2[O-])[O-].COC1=CC=CC2=C1N(C3=CC=CC(=O)C3=[N+]2[O-])[O-].[Cu+2]	MYAUZGVGEGKFPQ-UHFFFAOYSA-N
DG60489	Buphanidrine perchlorate	457798	"NSC7519; BUPHANIDRINE, PERCHLORATE; Buphanidrine perchlorate; dimethoxy[ ]; perchloric acid; CHEMBL2001834; NSC-7519; 3,7-Dimethoxy-1,2-didehydrocrinan perchlorate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7519	.	.	.	.	415.8	C18H22ClNO8	112	625	.	28	1	9	2	"InChI=1S/C18H21NO4.ClHO4/c1-20-11-3-4-18-5-6-19(15(18)7-11)9-12-13(18)8-14-17(16(12)21-2)23-10-22-14;2-1(3,4)5/h3-4,8,11,15H,5-7,9-10H2,1-2H3;(H,2,3,4,5)"	COC1CC2C3(CCN2CC4=C(C5=C(C=C43)OCO5)OC)C=C1.OCl(=O)(=O)=O	CUHGXHKFDGKIBC-UHFFFAOYSA-N
DG60490	Antibiotic LA 7017	457831	"plicamycin; mithramycin a; Aureolic acid; 18378-89-7; Mithramycin A from Streptomyces plicatus; Mitramycin; Antibiotic LA 7017; MFCD00135618; SK 26598; A-2371; NSC24559; PA-144; NSC143020; CHEMBL509846; HMS2089F10; RKL10094; C52H76O24; AKOS025311476; Mithramycin, Aureolic acid, Plicamycin; NCGC00181781-01; V0247; AB01275467-01; J-011777; Q26998354; Mithramycin A from Streptomyces plicatus, >=90% (HPLC)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143020	.	.	.	.	1085.1	C52H76O24	358	1940	0.6	76	11	24	15	"InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43+,44-,45-,49+,50+,51-,52+/m1/s1"	C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2C[C@@H](O[C@@H]([C@@H]2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O	CFCUWKMKBJTWLW-BGLFSJPPSA-N
DG60491	NSC374028	457837	"(4R)-4-Ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl [4-(2-hydroxyethyl)piperazin-1-yl]acetate dihydrochloride; NSC374028; Camptothecin,20-O-((4-(2-Hydroxyethyl)-1- Piperazino)Oac; [ethyl(dioxo)[ ]yl] 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetate; (4R)-4-Ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl [4-(2-hydroxyethyl)piperazin-1-yl]acetate dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	374028	.	.	.	.	591.5	C28H32Cl2N4O6	113	1050	.	40	3	9	7	"InChI=1S/C28H30N4O6.2ClH/c1-2-28(38-24(34)16-31-9-7-30(8-10-31)11-12-33)21-14-23-25-19(13-18-5-3-4-6-22(18)29-25)15-32(23)26(35)20(21)17-37-27(28)36;;/h3-6,13-14,33H,2,7-12,15-17H2,1H3;2*1H/t28-;;/m1../s1"	CC[C@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CN6CCN(CC6)CCO.Cl.Cl	GDOXHBXORQCJRW-QDSLRZTOSA-N
DG60492	Aphidicolin	457964	"aphidicolin; 38966-21-1; (+)-Aphidicolin; ICI 69653; UNII-192TJ6PP19; (3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalene-3,9-diol; NSC234714; CHEMBL29711; MLS000069677; CHEBI:2766; 192TJ6PP19; NSC-234714; 9,15-Cyclo-C,18-dinor-14,15-secoandrostane-4,17-dimethanol, 3,17-dihydroxy-4-methyl-, (3alpha,4alpha,5alpha,17alpha)-; SMR000058538; 69926-98-3; 8,11; A-Methano-11aH-cyclohepta[a]naphthalene-4,9-dimethanol,tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-, (3R,4R,4aR,6aS,8R,9R,11aS,11bS)-; MFCD00083214; NSC 234714; CCRIS 1783; (+/-)-Aphidicolin; Aphidicolin, (+/-)-; aphidicholin; aphidocolin; BRN 4689958; bis(hydroxymethyl)-dimethyl-[ ]diol; Aphidicolin from Nigrospora sphaerica; ne-3,9-diol; Opera_ID_1321; CBiol_001873; BSPBio_001438; KBioGR_000158; KBioSS_000158; SCHEMBL183956; cid_457964; MEGxm0_000277; Aphidicolin, analytical standard; DTXSID5036711; ACon0_000080; ACon1_000511; BCBcMAP01_000163; KBio2_000158; KBio2_002726; KBio2_005294; KBio3_000315; KBio3_000316; Bio1_000159; Bio1_000648; Bio1_001137; Bio2_000158; Bio2_000638; HMS1361H20; HMS1791H20; HMS1989H20; HMS3402H20; HY-N6733; ZINC3789195; BDBM50090910; AKOS027470273; Aphidicolin - CAS 38966-21-1; AT25347; CCG-208640; MCULE-1655552736; IDI1_033908; SMP1_000025; NCGC00023142-03; NCGC00023142-04; NCGC00023142-05; NCGC00023142-06; 8,11a-Methano-11ah-cyclohepta(a)naphthalene-4,9-dimethanol, tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-, (3R,4R,4aR,6aS,8R,9R,11aS,11bS)-rel-; 8,11a-Methano-11aH-cyclohepta(a)naphthalene-4,9-dimethanol, tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-, (3R-(3-alpha,4-alpha,4a-alpha,6a-beta,8-beta,9-beta,11a-beta,11b-beta))-; BA162709; 3alpha,16,17,18-tetrahydroxyaphidicolone; CS-0033151; 966A211; Q27453425; UNII-6B3F8QW8TU component NOFOAYPPHIUXJR-APNQCZIXSA-N; 4B15B386-8738-48FE-80DB-5BA3406098DD; Aphidicolin from Nigrospora sphaerica, >=98% (HPLC), powder; (1S,2S,5R,6R,7R,10S,12R,13R)-6,13-Bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.0[1,10].0[2,7]]hexadecane-5,13-diol; (3alpha,4alpha,5alpha,17alpha)-3,17-dihydroxy-4-methyl-9,15-cyclo-C,18-dinor-14,15-secoandrostane-4,17-dimethanol; (3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthale; (3R,4R,4aR,6aS,8R,9R,11aS,11bS)-Tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-8,11a-methano-11aH-cyclohepta[a]naphthalene-4,9-dimethanol; 2ZE; 6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7R)-tetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol; 6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7R,10S,12R,13R)-tetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol (Aphidicolin); 6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7R,10S,12R,13R)-tetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol(Aphidicolin); 8,11a-Methano-11aH-cyclohepta[a]naphthalene-4,9-dimethanol, tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-, (3S,4R,4aR,6aS,8R,9R,11aS,11bS)-; Rel-(3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalene-3,9-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	234714	.	.	.	.	338.5	C20H34O4	80.9	524	2.5	24	4	4	2	"InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1"	C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)O)(C)CO)O	NOFOAYPPHIUXJR-APNQCZIXSA-N
DG60493	4-[(7-Chloro-4-quinolyl)amino]-2-[(dibutylamino)methyl]phenol	459702	"TCMDC-142279; 5427-58-7; CHEMBL527314; DTXSID60332692; NSC13055; NSC-13055; 4-[(7-chloro-4-quinolyl)amino]-2-[(dibutylamino)methyl]phenol; 4-(7-Chloro-4-quinolylamino)-alpha-dibutylamino-o-cresol, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13055	.	.	.	.	448.4	C24H31Cl2N3O	48.4	457	.	30	3	4	10	"InChI=1S/C24H30ClN3O.ClH/c1-3-5-13-28(14-6-4-2)17-18-15-20(8-10-24(18)29)27-22-11-12-26-23-16-19(25)7-9-21(22)23;/h7-12,15-16,29H,3-6,13-14,17H2,1-2H3,(H,26,27);1H"	CCCCN(CCCC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.Cl	DWVWLXMHPSALFO-UHFFFAOYSA-N
DG60494	Azaserine	460129	"azaserine; 115-02-6; O-Diazoacetyl-L-serine; Azaserin; L-azaserine; L-Serine, diazoacetate (ester); Azaserina; Azaserinum; L-beta-(Diazoacetoxy)alanin; Diazoacetate (ester) L-serine; CL 337; O-(diazoacetyl)-L-serine; RCRA waste number U015; CCRIS 61; CN-15,757; HSDB 5093; L-Serine, O-(2-diazoacetyl)-; NSC-742; CN 15757; Serine, diazoacetate (ester), L-; P-165; Acetic acid, diazo-, ester with serine; UNII-87299V3Q9W; AI3-25016; MLS000028392; NSC742; AZS; CHEBI:74846; (S)-2-amino-3-(2-diazoacetoxy)propanoic acid; 87299V3Q9W; SMR000058638; DSSTox_CID_118; DSSTox_RID_75380; DSSTox_GSID_20118; Azaserine [USAN:INN]; Azaserinum [INN-Latin]; Azaserina [INN-Spanish]; CAS-115-02-6; NSC 742; EINECS 204-061-6; RCRA waste no. U015; CI-337; NCGC00018164-02; ASASERINE; L-serine diazoacetate; Opera_ID_431; Azaserine (USAN/INN); L-serine diazoacetate ester; NCIMech_000844; SCHEMBL8861; L-beta-(diazoacetoxy)alanine; L-serine, O-(diazoacetyl)-; C5H8N3O4; CHEMBL442607; CHEMBL1095699; DTXSID9020118; HMS2232J04; HY-B0919; ZINC3977741; Tox21_110833; Tox21_302892; CL-337; MFCD00036802; Tox21_110833_1; NCGC00021876-03; NCGC00021876-04; NCGC00256571-01; AS-80005; CN-15757; X6877; C19194; D03032; (2S)-2-amino-3-(2-diazoacetyl)oxypropanoic acid; (2S)-2-amino-3-(2-diazoacetyl)oxy-propanoic acid; J-003178; Q4832281"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742	.	.	.	.	173.13	C5H7N3O4	91.6	233	-3.2	12	2	6	5	"InChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3H,2,6H2,(H,10,11)/t3-/m0/s1"	C([C@@H](C(=O)O)N)OC(=O)C=[N+]=[N-]	MZZGOOYMKKIOOX-VKHMYHEASA-N
DG60495	"3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione"	460749	"MLS000523518; SMR000122591; 3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione; 3-(4-chlorophenyl)-1,6-dimethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione; 3-(4-chlorophenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione; Opera_ID_1301; Oprea1_202505; Oprea1_319826; cid_460749; SCHEMBL2180580; CHEMBL1334062; BDBM40314; HMS2389E18; NSC749675; STK397048; 3-(4-chlorophenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione; AKOS024302524; MCULE-8325440563; NSC-749675; NCGC00168386-01; SR-01000432316; US9073941, 603; SR-01000432316-1; 3-(4-chlorophenyl)-1,6-e][1,2,4]triazine-5,7-dione; 1,6-Dimethyl-3-(4-chlorophenyl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione; 1H-Pyrimido[5,4-E][1,2,4]triazine-5,7-dione, 3-(4-chlorophenyl)-1,6-dimethyl-; 3-(4-chlorophenyl)-1,6-dimethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-quinone; Pyrimido(5,4-e)-1,2,4-triazine-5,7-(1H,6H)-dione, 3-(4-chlorophenyl)-1,6-dimethyl-; 42285-61-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749675	.	.	.	.	303.7	C13H10ClN5O2	77.7	589	1.6	21	0	3	1	"InChI=1S/C13H10ClN5O2/c1-18-12(20)9-11(16-13(18)21)19(2)17-10(15-9)7-3-5-8(14)6-4-7/h3-6H,1-2H3"	CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)Cl)C	UCEGDYDPOSBUTP-UHFFFAOYSA-N
DG60496	"1-Butanone, 1,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis(4-(1-piperidinyl)-, dihydrochloride"	461320	"53428-19-6; 1-Butanone, 1,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis(4-(1-piperidinyl)-, dihydrochloride; NSC292817; NSC 292817; 1-Butanone, 1,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis[4-(1-piperidinyl)-, dihydrochloride; DTXSID20201592; 1-[9-ethyl-6-[4-(1-piperidyl)butanoyl]carbazol-3-yl]-4-(1-piperidyl)butan-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	292817	.	.	.	.	574.6	C32H45Cl2N3O2	45.6	684	.	39	2	4	11	"InChI=1S/C32H43N3O2.2ClH/c1-2-35-29-15-13-25(31(36)11-9-21-33-17-5-3-6-18-33)23-27(29)28-24-26(14-16-30(28)35)32(37)12-10-22-34-19-7-4-8-20-34;;/h13-16,23-24H,2-12,17-22H2,1H3;2*1H"	CCN1C2=C(C=C(C=C2)C(=O)CCCN3CCCCC3)C4=C1C=CC(=C4)C(=O)CCCN5CCCCC5.Cl.Cl	GXCICAYPFUQBNH-UHFFFAOYSA-N
DG60497	NSC672663	461803	"methyl 1-[[2-[[2-[[2-[[2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]-3-tert-butoxy-butanoyl]amino]-3-phenyl-propanoyl]amino]cyclopentanecarboxylate; NSC672663; CHEMBL1982333; NSC-672663; NCI60_025785; methyl 1-[[2-[[2-[[2-[[2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]-3-tert-butoxy-butanoyl]amino]-3-phenyl-propanoyl]amino]cyclopentanecarboxylate; Phenylalaninamide, N-[(phenylmethoxy)carbonyl]phenylalanyltryptophyl-N~6~-[(1,1-dimethylethoxy)carbonyl]lysyl-O-(1,1-dimethylethyl)threonyl-N-[1-(methoxycarbonyl)cyclopentyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672663	.	.	.	.	1143.4	C63H82N8O12	274	2110	8.4	83	8	12	32	"InChI=1S/C63H82N8O12/c1-41(82-61(2,3)4)52(57(76)68-50(37-43-26-14-10-15-27-43)56(75)71-63(58(77)80-8)33-21-22-34-63)70-53(72)48(32-20-23-35-64-59(78)83-62(5,6)7)66-55(74)51(38-45-39-65-47-31-19-18-30-46(45)47)67-54(73)49(36-42-24-12-9-13-25-42)69-60(79)81-40-44-28-16-11-17-29-44/h9-19,24-31,39,41,48-52,65H,20-23,32-38,40H2,1-8H3,(H,64,78)(H,66,74)(H,67,73)(H,68,76)(H,69,79)(H,70,72)(H,71,75)"	CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC2(CCCC2)C(=O)OC)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6)OC(C)(C)C	BWWCPKRSUNJMJF-UHFFFAOYSA-N
DG60498	NSC337581	462176	"1,4-Phenanthrenedione, 10-(formyloxy)-4b,5,6,7,8,8a,9,10-octahydro-3,9-dihydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS,8aS,9S,10S)-; 65714-77-4; ROYLEANONE-7A-FORMYLOXY-6B-HYDROXY-ERU 701; NSC337581; 1,4-Phenanthrenedione, 10-(formyloxy)-4b,5,6,7,8,8a,9,10-octahydro-3,9-dihydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS,8aS,9S,10S)-; ERU 701; NSC 337581; SCHEMBL14303934; ZINC5882005; [(4aS,9S,10S,10aS)-6,10-dihydroxy-7-isopropyl-1,1,4a-trimethyl-5,8-dioxo-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] formate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	337581	.	.	.	.	376.4	C21H28O6	101	772	2.8	27	2	6	3	"InChI=1S/C21H28O6/c1-10(2)11-14(23)12-13(16(25)15(11)24)21(5)8-6-7-20(3,4)19(21)17(26)18(12)27-9-22/h9-10,17-19,23,26H,6-8H2,1-5H3/t17-,18+,19+,21-/m1/s1"	CC(C)C1=C(C2=C(C(=O)C1=O)[C@]3(CCCC([C@@H]3[C@@H]([C@H]2OC=O)O)(C)C)C)O	NSCMIMHUVQXSBW-XODKDNOYSA-N
DG60499	"Camptothecin,N-diethyl) glycinate"	462186	"NSC364830; CHEMBL1972994; NSC-364830; CAMPTOTHECIN,N-DIETHYL) GLYCINATE; [ethyl(dioxo)[ ]yl] 2-(diethylamino)acetate; CAMPTOTHECIN, 20-(N,N-DIETHYL) GLYCINATE; Acetic acid, 4-ethyl-4,12-dihydro-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl ester, (S)-, monohydrochloride; Glycine, N,N-diethyl-, (4S)-4-ethyl-3,4,12,14-tetrahydro-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl ester, monohydrochloride; Glycine,N-diethyl-, 4-ethyl-3,4,12,14-tetrahydro-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl ester, monohydrochloride, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	364830	.	.	.	.	498	C26H28ClN3O5	89	939	.	35	1	7	7	"InChI=1S/C26H27N3O5.ClH/c1-4-26(34-22(30)14-28(5-2)6-3)19-12-21-23-17(11-16-9-7-8-10-20(16)27-23)13-29(21)24(31)18(19)15-33-25(26)32;/h7-12H,4-6,13-15H2,1-3H3;1H/t26-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CN(CC)CC.Cl	HGVXFMWXNAOLGL-SNYZSRNZSA-N
DG60500	CID 462199	462199	"Saframycin A; NSC325663; MLS002703055; 66082-27-7; Neuro_000165; CHEMBL1710157; DTXSID80984576; NSC-325663; NCI60_002823; SMR001566861; N-[(cyano-dimethoxy-trimethyl-tetraoxo-[ ]yl)methyl]-2-oxo-propanamide; N-[(7-Cyano-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-1,5,6,7,9,10,13,14,14a,15-decahydro-4H-6,15-epiminoisoquinolino[3,2-b][3]benzazocin-9-yl)methyl]-2-oxopropanamide; Propanamide, N-[(7-cyano-1,5,6,7,9,10,13,14,14a,15-decahydro-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-6,15-imino-4H-isoquino[3,2-b][3]benzazocin-9-yl)methyl]-2-oxo-; Propanamide,5,6,7,9,10,13,14,14a,15- decahydro-2,11-dimethoxy-3,12,16-trimethyl-1,4,10, 13-tetraoxo-6,15-imino-4H-isoquino[3,2-b][3]benzazocin -9-yl)methyl]-2-oxo-,8 [6S-(6.alpha.,7.alpha.,9.beta.,14a. alpha.,15.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	325663	.	.	.	.	562.6	C29H30N4O8	163	1540	-0.3	41	1	11	5	"InChI=1S/C29H30N4O8/c1-11-23(35)14-8-17-22-21-15(24(36)12(2)28(41-6)26(21)38)7-16(32(22)4)18(9-30)33(17)19(10-31-29(39)13(3)34)20(14)25(37)27(11)40-5/h16-19,22H,7-8,10H2,1-6H3,(H,31,39)"	CC1=C(C(=O)C2=C(C1=O)CC3C4C5=C(CC(N4C)C(N3C2CNC(=O)C(=O)C)C#N)C(=O)C(=C(C5=O)OC)C)OC	JNEGMBHBUAJRSX-UHFFFAOYSA-N
DG60501	"Disodium;5,6-dihydroxy-7,12-dioxo-4a,12b-dihydronaphtho[2,3-f]quinoline-5,6-disulfonate"	462372	"NSC13977; 5,6-dihydroxy-7,12-dioxo-4a,12b-dihydronaphtho[2,3-f]quinoline-5,6-disulfonic acid; Naphtho[2,3-f]quinoline-5,6-disulfonic acid, 4a,5,6,7,12,12b-hexahydro-5,6-dihydroxy-7,12-dioxo-, disodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13977	.	.	.	.	499.4	C17H11NNa2O10S2	218	1110	.	32	2	11	0	"InChI=1S/C17H13NO10S2.2Na/c19-13-8-4-1-2-5-9(8)14(20)12-11(13)10-6-3-7-18-15(10)17(22,30(26,27)28)16(12,21)29(23,24)25;;/h1-7,10,15,21-22H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(C(C4C3C=CC=N4)(O)S(=O)(=O)[O-])(O)S(=O)(=O)[O-].[Na+].[Na+]	PJPAFRXQQHOIMP-UHFFFAOYSA-L
DG60502	Z-Leu-leu-leu-al	462382	"MG-132; 133407-82-6; Z-Leu-leu-leu-al; MG132; MG 132; Zlllal; Z-LLL-CHO; Zlll-cho; Z-Leu-leu-leucinal; Z-Leu-Leu-Leu-H; Carbobenzoxy-leucyl-leucyl-leucinal; UNII-RF1P63GW3K; Benzyloxycarbonyl-leu-leu-leu-aldehyde; Benzyloxycarbonyl-leucyl-leucyl-leucinal; Carbobenzoxyl-leucinyl-leucinyl-leucinal-H; Cbz-Leu-Leu-Leu-H; C26H41N3O5; Benzyloxycarbonylleucyl-leucyl-leucine aldehyde; Z-Leu-Leu-Leu-aldehyde; Benzyl ((S)-4-methyl-1-(((S)-4-methyl-1-(((S)-4-methyl-1-oxopentan-2-yl)amino)-1-oxopentan-2-yl)amino)-1-oxopentan-2-yl)carbamate; RF1P63GW3K; CHEMBL64925; benzyl (S)-4-methyl-1-((S)-4-methyl-1-((S)-4-methyl-1-oxopentan-2-ylamino)-1-oxopentan-2-ylamino)-1-oxopentan-2-ylcarbamate; Cbz-L-Leu-L-Leu-L-Leu-CHO; CHEBI:75142; MFCD00674886; Lll cpd; n-benzyloxycarbonyl-l-leucyl-l-leucyl-l-leucinal; (S)-N-((Phenylmethoxy)carbonyl)-L-leucyl-N-(1-formyl-3-methylbutyl)-L-leucinamide; N-[(Benzyloxy)carbonyl]-L-Leucyl-N-[(2s)-4-Methyl-1-Oxopentan-2-Yl]-L-Leucinamide; BRD0970; BRD-0970; Z-LLL; Carbobenzoxy-L-leucyl-L-leucyl-L-leucinal; (R)-MG132; (S)-MG132; N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1S)-1-formyl-3-methylbutyl]-L-leucinamide; Z-LLL-aldehyde; 1211877-36-9; Benzyl N-[(1S)-3-methyl-1-[[(1S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-pentan-2-yl]carbamoyl]butyl]carbamoyl]butyl]carbamate; benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate; Z-LLLal; Cbz-Leu-Leu-Leu-al; Cbz-Leu-Leu-Leucinal; Z-LLL-H; Z-L-leu-L-leu-L-leu-H; BSPBio_001310; carbobenzoxy-Leu-Leu-leucinal; KBioGR_000030; KBioSS_000030; MLS006011220; Cbz-L-Leu-L-Leu-L-Leu-H; SCHEMBL160925; GTPL8616; DTXSID3042639; BCBcMAP01_000028; KBio2_000030; KBio2_002598; KBio2_005166; KBio3_000059; KBio3_000060; AOB4946; QCR-183; benzyloxycarbonyl-Leu-Leu-leucinal; Bio2_000030; Bio2_000510; HMS1361B12; HMS1791B12; HMS1989B12; HMS3402B12; AMY40914; EX-A1500; BDBM50069985; NSC782153; PI-102; s2619; ZINC13476439; AKOS027420457; ACN-047884; CCG-207860; CCG-208036; CS-0471; NSC-782153; compound 5b [PMID: 16686537]; IDI1_033780; s10322; NCGC00161679-01; NCGC00161679-02; NCGC00161679-03; NCGC00161679-04; NCGC00161679-13; Z-Leu-Leu-Leu-al, >=90% (HPLC); AS-55854; HY-13259; SMR002530629; SW219780-1; UNM000011053701; X7579; InSolution MG-132 - CAS 133407-82-6; A806612; Q3272916; SR-01000864598-1; BRD-K60230970-001-04-3; BRD-K60230970-001-05-0; BRD-K60230970-001-06-8; BRD-K60230970-001-07-6; BRD-K60230970-001-08-4; BRD-K60230970-001-10-0; MG-132 - CAS 133407-82-6; MG-132, >/=95% by HPLC - CAS 133407-82-6; L-Leucinamide, N-((phenylmethoxy)carbonyl)-L-leucyl-N-((1S)-1-formyl-3-methylbutyl)-; L-Leucinamide, N-((phenylmethoxy)carbonyl)-L-leucyl-N-(1-formyl-3-methylbutyl)-, (S)-; L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N1-[(1S)-1-formyl-3-methylbutyl]-; N-[(Phenylmethoxy)carbonyl]-L-leucyl-N-(1-formyl-3-methylbutyl)-(S)-L-leucinamide; (S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic acid [(S)-1-((S)-1-formyl-3-methyl-butylcarbamoyl)-3-methyl-butyl]-amide; {(S)-1-[(S)-1-((S)-1-Formyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester; {1-[(S)-(S)-1-((S)-1-Formyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester; {1-[1-(1-Formyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester; benzyl N-[(1S)-1-[[(1S)-1-[[(1S)-1-formyl-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamate; benzyl(S)-4-methyl-1-((S)-4-methyl-1-((S)-4-methyl-1-oxopentan-2-ylamino)-1-oxopentan-2-ylamino)-1-oxopentan-2-ylcarbamate; phenylmethyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782153	.	.	.	.	475.6	C26H41N3O5	114	644	4.8	34	3	5	15	"InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1"	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	TZYWCYJVHRLUCT-VABKMULXSA-N
DG60503	N'-(3-pyridin-2-ylisoquinolin-1-yl)pyridine-2-carboximidamide	463108	NSC637578; 118112-10-0; MLS002701673; N'-(3-pyridin-2-ylisoquinolin-1-yl)pyridine-2-carboximidamide; N-[3-(2-Pyridinyl)-1-isoquinolinyl]-2-pyridinecarbimide amide; VUF8345; NCIChal_000014; NCIMech_000776; CHEMBL144514; SCHEMBL10708636; ANTINEOPLASTIC-637578; DTXSID70332749; VUF-8345; ZINC6583978; CCG-35920; CCG-36387; NSC-637578; NCI60_012454; SMR001565272; (Imino-2-pyridylmethyl)(3-(2-pyridyl)isoquinolyl)amine; N-[3-(2-pyridyl)-1-isoquinolyl]pyridine-2-carboxamidine; N-[3-(2-Pyridyl)isoquinolin-1-yl]-2-pyridinecarboxamidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637578	.	.	.	.	325.4	C20H15N5	77	465	3	25	1	4	3	"InChI=1S/C20H15N5/c21-19(17-10-4-6-12-23-17)25-20-15-8-2-1-7-14(15)13-18(24-20)16-9-3-5-11-22-16/h1-13H,(H2,21,24,25)"	C1=CC=C2C(=C1)C=C(N=C2N=C(C3=CC=CC=N3)N)C4=CC=CC=N4	VZJMIYLTPATHJF-UHFFFAOYSA-N
DG60504	6-methoxy-N-[3-[4-[3-[(6-methoxy-4-quinolyl)amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine	465204	"NSC365360; 1,4-Piperazinedipropanamine, N,N'-bis(6-methoxy-4-quinolinyl)-, tetrahydrochloride; 6-methoxy-N-[3-[4-[3-[(6-methoxy-4-quinolyl)amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	365360	.	.	.	.	660.5	C30H42Cl4N6O2	74.8	621	.	42	6	8	12	"InChI=1S/C30H38N6O2.4ClH/c1-37-23-5-7-27-25(21-23)29(9-13-33-27)31-11-3-15-35-17-19-36(20-18-35)16-4-12-32-30-10-14-34-28-8-6-24(38-2)22-26(28)30;;;;/h5-10,13-14,21-22H,3-4,11-12,15-20H2,1-2H3,(H,31,33)(H,32,34);4*1H"	COC1=CC2=C(C=CN=C2C=C1)NCCCN3CCN(CC3)CCCNC4=C5C=C(C=CC5=NC=C4)OC.Cl.Cl.Cl.Cl	NJOQOIUVZFFFCE-UHFFFAOYSA-N
DG60505	"5-Oxido-6-phenylquinolino[4,3-b]quinoxalin-5-ium"	467007	CHEMBL1995745; NSC643439; NSC-643439; NCI60_014700	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643439	.	.	.	.	323.3	C21H13N3O	51.2	466	3.2	25	0	3	1	InChI=1S/C21H13N3O/c25-24-18-13-7-4-10-15(18)19-20(21(24)14-8-2-1-3-9-14)23-17-12-6-5-11-16(17)22-19/h1-13H	C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3C4=NC5=CC=CC=C5N=C42)[O-]	DIIGJFPJBOJUOU-UHFFFAOYSA-N
DG60506	"7-Chloromethyl-10,11-methylenedioxycamptothecin"	468670	"CHEMBL335455; SCHEMBL23235265; chloromethyl-ethyl-hydroxy-[ ]dione; BDBM50036129; NSC671901; NSC-671901; 7-Chloromethyl-10,11-methylenedioxycamptothecin; 7-Chloromethyl-10,11-methylenedioxy-20(S)-CPT; 7-Chloromethyl-10,11-methylenedioxy-20(S)-camptothecin; 10H-1,3-Dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11(7H,13H)-dione, 14-(chloromethyl)-7-ethyl-7-hydroxy-, (7S)-; 14-chloromethyl-7-ethyl-7-hydroxy-(7S)-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[4,5-g]pyrano[3'',4'':6,7]indolizino[1,2-b]quinoline-8,11-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671901	.	.	.	.	440.8	C22H17ClN2O6	98.2	904	1.2	31	1	7	2	"InChI=1S/C22H17ClN2O6/c1-2-22(28)14-4-16-19-12(7-25(16)20(26)13(14)8-29-21(22)27)11(6-23)10-3-17-18(31-9-30-17)5-15(10)24-19/h3-5,28H,2,6-9H2,1H3/t22-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC6=C(C=C5N=C4C3=C2)OCO6)CCl)O	FGIXZILUSHAOJP-QFIPXVFZSA-N
DG60507	"9-Chloro-10,11-methylenedioxycamptothecin"	468671	"NSC673591; SCHEMBL18296780; NSC-673591; 9-Chloro-10,11-methylenedioxycamptothecin; 9-chloro-10,11-methylene-dioxycamptothecin; 9-Chloro-10,11-methylenedioxy-20(S)-CPT; 9-Chloro-10,11-methylenedioxy-20(S)-camptothecin; 10H-1,3-Dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11(7H,13H)-dione, 15-chloro-7-ethyl-7-hydroxy-, (7S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673591	.	.	.	.	426.8	C21H15ClN2O6	98.2	889	1.4	30	1	7	1	"InChI=1S/C21H15ClN2O6/c1-2-21(27)12-4-14-17-9(6-24(14)19(25)11(12)7-28-20(21)26)3-10-13(23-17)5-15-18(16(10)22)30-8-29-15/h3-5,27H,2,6-8H2,1H3/t21-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C6=C(C=C5N=C4C3=C2)OCO6)Cl)O	AQSRKNJFNKOMDG-NRFANRHFSA-N
DG60508	"10H-1,3-Dioxolo(4,5-g)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-8,11(7H,13H)-dione, 7-ethyl-7-hydroxy-14-methyl-, (7S)-"	468672	"IPF4CM7OZI; UNII-IPF4CM7OZI; NSC673594; 172546-50-8; 7-Methyl-10,11-methylenedioxy-20(S)-CPT; 10H-1,3-Dioxolo(4,5-g)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-8,11(7H,13H)-dione, 7-ethyl-7-hydroxy-14-methyl-, (7S)-; 10H-1,3-Dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11(7H,13H)-dione, 7-ethyl-7-hydroxy-14-methyl-, (7S)-; NSC 673594; ethyl-hydroxy-methyl-[ ]dione; SCHEMBL21450571; DTXSID20169345; NSC-673594; (7S)-7-Ethyl-7-hydroxy-13-methyl-7,12-dihydro-2H-1,3-dioxolano(4,5-g)pyrano(3',4'-7,6)indolizino(1,2-b)quinoline-8,11-dione; 7-Methyl-10,11-methylenedioxy-20(S)-camptothecin; (7S)-7-Ethyl-7-hydroxy-13-methyl-7,12-dihydro-2H--1,3-dioxolano[4,5-g]pyrano[3',4'-7,6]indolizino[1,2-b]quinoline-8,11-dione; 4alpha-Ethyl-4beta-hydroxy-8,9-(epoxymethanoxy)-11-methyl-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673594	.	.	.	.	406.4	C22H18N2O6	98.2	883	1.2	30	1	7	1	"InChI=1S/C22H18N2O6/c1-3-22(27)14-5-16-19-12(7-24(16)20(25)13(14)8-28-21(22)26)10(2)11-4-17-18(30-9-29-17)6-15(11)23-19/h4-6,27H,3,7-9H2,1-2H3/t22-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC6=C(C=C5N=C4C3=C2)OCO6)C)O	BGMKTSYQDUAZFJ-QFIPXVFZSA-N
DG60509	"[2-(1-Adamantyl)-6,8-dichloroquinolin-4-yl]-piperidin-2-ylmethanol"	470998	"NSC305787; 785718-37-8; [2-(1-adamantyl)-6,8-dichloroquinolin-4-yl]-piperidin-2-ylmethanol; CHEMBL2008920; SCHEMBL15701262; CS-5148; NSC 305787; HY-18931; [2-(1-adamantyl)-6,8-dichloro-4-quinolyl]-(2-piperidyl)methanol; [2-(1-adamantyl)-6,8-dichloroquinolin-4-yl](piperidin-2-yl)methanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305787	.	.	.	.	445.4	C25H30Cl2N2O	45.2	603	6	30	2	3	3	"InChI=1S/C25H30Cl2N2O/c26-17-8-18-19(24(30)21-3-1-2-4-28-21)10-22(29-23(18)20(27)9-17)25-11-14-5-15(12-25)7-16(6-14)13-25/h8-10,14-16,21,24,28,30H,1-7,11-13H2"	C1CCNC(C1)C(C2=CC(=NC3=C2C=C(C=C3Cl)Cl)C45CC6CC(C4)CC(C6)C5)O	YNGQUUFYBFKLNH-UHFFFAOYSA-N
DG60510	"4-(2-Chloroimidazo[2,1-b]thiazol-6-yl)phenol"	472921	"NSC732200; NSC-732200; 4-(2-chloroimidazo[2,1-b]thiazol-6-yl)phenol; Phenol, 4-(2-chloroimidazo[2,1-b]thiazol-6-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732200	.	.	.	.	250.7	C11H7ClN2OS	65.8	260	4.1	16	1	3	1	"InChI=1S/C11H7ClN2OS/c12-10-6-14-5-9(13-11(14)16-10)7-1-3-8(15)4-2-7/h1-6,15H"	C1=CC(=CC=C1C2=CN3C=C(SC3=N2)Cl)O	VTUPXNINHAIJMA-UHFFFAOYSA-N
DG60511	"2-[(1S)-1-benzyl-2-[2-(hydroxymethyl)pyrrol-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione"	473077	"NSC670869; CHEMBL1985771; NSC-670869; NCI60_024982; 2-[(1S)-1-benzyl-2-[2-(hydroxymethyl)pyrrol-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione; 1H-Isoindole-1,3(2H)-dione, 2-[(1S)-2-[2-(hydroxymethyl)-1H-pyrrol-1-yl]-2-oxo-1-(phenylmethyl)ethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670869	.	.	.	.	374.4	C22H18N2O4	79.6	592	2.4	28	1	4	5	"InChI=1S/C22H18N2O4/c25-14-16-9-6-12-23(16)22(28)19(13-15-7-2-1-3-8-15)24-20(26)17-10-4-5-11-18(17)21(24)27/h1-12,19,25H,13-14H2/t19-/m0/s1"	C1=CC=C(C=C1)C[C@@H](C(=O)N2C=CC=C2CO)N3C(=O)C4=CC=CC=C4C3=O	FLSHQBKIXVUISS-IBGZPJMESA-N
DG60512	NSC248605	474308	"[(1r)-1-[(1s,2s)-6-[(5s,6s)-5-[(1r)-1-Acetoxyethyl]-1,6-dihydroxy-6-methyl-8,9,10-trioxo-5,7-dihydroanthracen-2-yl]-2,5-dihydroxy-2-methyl-4,9,10-trioxo-1,3-dihydroanthracen-1-yl]ethyl] acetate; 18126-05-1; NSC248605; (1R)-1-{6-[5-((1R)-1-Acetyloxyethyl)(6S)-1,6-dihydroxy-6-methyl-8,9,10-trioxo(2-5,6,7-trihydroanthryl)](2S)-2,5-dihydroxy-2-methyl-4,9,10-trioxo(1,2,3-trihydroanthryl)}ethyl acetate; [(1r)-1-[(1s,2s)-6-[(5s,6s)-5-[(1r)-1-acetoxyethyl]-1,6-dihydroxy-6-methyl-8,9,10-trioxo-5,7-dihydroanthracen-2-yl]-2,5-dihydroxy-2-methyl-4,9,10-trioxo-1,3-dihydroanthracen-1-yl]ethyl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	248605	.	.	.	.	714.7	C38H34O14	236	1630	2.3	52	4	14	7	"InChI=1S/C38H34O14/c1-13(51-15(3)39)29-27-25(21(41)11-37(29,5)49)35(47)23-19(33(27)45)9-7-17(31(23)43)18-8-10-20-24(32(18)44)36(48)26-22(42)12-38(6,50)30(28(26)34(20)46)14(2)52-16(4)40/h7-10,13-14,29-30,43-44,49-50H,11-12H2,1-6H3/t13-,14-,29-,30-,37+,38+/m1/s1"	C[C@H]([C@@H]1C2=C(C(=O)C[C@]1(C)O)C(=O)C3=C(C2=O)C=CC(=C3O)C4=C(C5=C(C=C4)C(=O)C6=C(C5=O)C(=O)C[C@]([C@@H]6[C@@H](C)OC(=O)C)(C)O)O)OC(=O)C	JGYMCVKOAWXEOB-WNJJEIKJSA-N
DG60513	NSC354646	474311	"(7s,9s)-6,9,11-Trihydroxy-9-(2-hydroxyacetyl)-7-[(6s)-5-hydroxy-6-methyl-4-morpholino-tetrahydropyran-2-yl]oxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione; NSC354646; (7s,9s)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(6s)-5-hydroxy-6-methyl-4-morpholino-tetrahydropyran-2-yl]oxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione; 10-((6S)-5-Hydroxy-6-methyl-4-morpholin-4-ylperhydro-2H-pyran-2-yloxy)(8S,10S)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydronaphthacene-5,12-dione, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	354646	.	.	.	.	613.6	C31H35NO12	193	1100	1.7	44	5	13	6	"InChI=1S/C31H35NO12/c1-14-26(35)17(32-6-8-42-9-7-32)10-21(43-14)44-19-12-31(40,20(34)13-33)11-16-23(19)30(39)25-24(28(16)37)27(36)15-4-3-5-18(41-2)22(15)29(25)38/h3-5,14,17,19,21,26,33,35,37,39-40H,6-13H2,1-2H3/t14-,17 ,19-,21 ,26 ,31-/m0/s1"	C[C@H]1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOCC6)O	SXCIMUIAZXOVIR-GLLNHGGISA-N
DG60514	NSC261045	474312	"(7S,9S)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; NSC261045; CHEMBL3301909; AD-280; (7S,9S)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; 10-[(6S)-4-(Dimethylamino)-5-hydroxy-6-methylperhydro-2H-pyran-2-yloxy](8S,10S)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydronaphthacene-5,12-dione, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	261045	.	.	.	.	571.6	C29H33NO11	183	1020	2.2	41	5	12	6	"InChI=1S/C29H33NO11/c1-12-24(33)15(30(2)3)8-19(40-12)41-17-10-29(38,18(32)11-31)9-14-21(17)28(37)23-22(26(14)35)25(34)13-6-5-7-16(39-4)20(13)27(23)36/h5-7,12,15,17,19,24,31,33,35,37-38H,8-11H2,1-4H3/t12-,15-,17-,19-,24+,29-/m0/s1"	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N(C)C)O	DJEFXYVVRUAFEB-KYZOVJJKSA-N
DG60515	Copper phthalocyanine	475701	"Aqualine Blue; Fastolux Blue; Bermuda Blue; Copper polyphthalocyanine; Cyanine Blue BB; Bahama Blue BC; Blue GLA; C.I. Pigment Blue 15; Copper phthalocyanine; Irgaplast Blue RBP; Cromophtal Blue 4G; PIGMENT BLUE 15; Accosperse Cyan Blue GT; Cyanine Blue BF; Cyanine Blue C; Cyanine Blue HB; Lumatex Blue B; Poly(copper phthalocyanine); Bahama Blue WD; Cyanine Blue Rnf; Monastral Blue B; Bahama Blue BNC; Copper tetrabenzoporphyrazine; Graphtol Blue BL; Helio Blue B; Indolen Blue 3G; Blue Toner GTNF; Ceres Blue BHR; Cyan Blue GT; Cyanine Blue LBG; Calcotone Blue GP; Chromatex Blue BN; Cyan Blue GTNF; Copper phthalocyanin; Congo blue B 4; Cromophtal Blue GF; Cyanine Blue GNPS; Copper-phthalocyanine; Helio Fast Blue B; Hostaperm Blue AFN; Arlocyanine Blue PS; Irgalite Blue LGLD; Euvinyl Blue 702; Cromophtal Blue 4GN; Cyan Peacock Blue G; Fenalac Blue B Disp; Fastolux Peacock Blue; Copper(II) phthalocyanine; Duratint Blue 1001; Lutetia Fast Cyanine B; Bahama Blue Lake NCNF; Dainichi Cyanine Blue B; NSC43628; Copper(2+) phthalocyanine; Copper (II) phthalocyanine; 26893-93-6; Cyan Blue BNC 55-3745; Copper phthalocyanine blue; Cu-phthaloblue; Fastogen blue; Graphtol blue; Hostaperm blue; Irgalite blue; Linnol blue; Monarch blue; Helio fast blue; Isol fast blue; Copper, polymers; Isol phthalo blue; Monarch blue toner; Heliogen Blue IBG; Cupric phthalocyanine; NSC 43628; CI Ingrain Blue 2; Heliogen blue (VAN); CI Pigment Blue 15; Cromofine blue 4973; Chromofine blue 4920; Copper, (phthalocyaninato(2-))-, polymers; SCHEMBL24251; Chromophthal GF Green (VAN); .epsilon.-Copper phthalocyanine; Blue phthalocyanine .alpha.-form; HSDB 2925; Copper phthalocyanine,CI 74160; CHEBI:155903; Copper phthalocyanine, CI 74160; EINECS 205-685-1; NSC 15976; NSC-43628; BT 4651; Copper, (29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, homopolymer; CI 74160; AI3-26192; EC 205-685-1; Tetrabenzo-5,10,15,20-diazaporphyrinephthalocyanine; 29H,31H-Phthalocyaninato(2-)-N29,N30,N31,N32 copper; Copper, (29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)-; Copper,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, homopolymer; [29H,31H-phthalocyaninato(2-)-kappa(4)N(29),N(30),N(31),N(32)]copper; Copper, (29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-; Copper, (29H,31H-phthalocyaninato(2-)-N(29),N(30),N(31),N(32))-, (SP-4-1)-; Copper, (29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)-, (SP-4-1)- (9CI); Copper, (29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)-, homopolymer (9CI); Copper, [29H,31H-phthalocyaninato(2-)-N(29)-,N(30)-,N(31)-,N(32)-]-, (SP-4-1)-; Copper,[29H,31H-phthalocyaninato(2(-))-N<29>,N<30>,N<31>,N<32>]-(SP-4-1)-; Copper, (29H,31H-phthalocyaninato(2-)-N(sup 29),N(sup 30),N(sup 31),N(sup 32))-, (SP-4-1)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43628	.	.	.	.	576.1	C32H16CuN8	98.9	1070	.	41	0	0	0	InChI=1S/C32H16N8.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;	C1=CC=C2C(=C1)C3=NC4=NC(=NC5=NC(=NC6=NC(=NC2=N3)C7=CC=CC=C76)C8=CC=CC=C85)C9=CC=CC=C94.[Cu]	VVOLVFOSOPJKED-UHFFFAOYSA-N
DG60516	Elatol	479931	"Elatol; 55303-97-4; (3S,4R,6R)-4-bromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol; (3S,4R,6R)-4-Bromo-8-chloro-5,5,9-trimethyl-1-methylenespiro[5.5]undec-8-en-3-ol; NSC 341593; (+)-Elatol; CHEMBL464203; NSC785142; NSC-785142; Spiro(5.5)undec-8-en-3-ol, 2-bromo-8-chloro-1,1,9-trimethyl-5-methylene-, (2R-(2alpha,3alpha,6alpha))-; XE177356; C17118; (2R,3S,6R)-2-Bromo-8-chloro-1,1,9-trimethyl-5-methylenespiro[5.5]undec-8-en-3-ol; (6R,9S,10R)-10-bromo-4-chloro-3,11,11-trimethyl-7-methylene-spiro[5.5]undec-3-en-9-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785142	.	.	.	.	333.69	C15H22BrClO	20.2	413	4.1	18	1	1	0	"InChI=1S/C15H22BrClO/c1-9-5-6-15(8-11(9)17)10(2)7-12(18)13(16)14(15,3)4/h12-13,18H,2,5-8H2,1,3-4H3/t12-,13-,15+/m0/s1"	CC1=C(C[C@]2(CC1)C(=C)C[C@@H]([C@@H](C2(C)C)Br)O)Cl	HZKGRCIKQBHSNA-KCQAQPDRSA-N
DG60517	"6-(2,5-Dimethoxybenzyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine"	484959	"CHEMBL7375; 6-(2,5-dimethoxybenzyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine; 6-(2,5-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-quinazoline-2,4-diamine; BDBM50074720; NSC696662; 6-[(2,5-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine; NSC-696662; NCI60_034475; (6R,4-Diamino-6-(2,5-dimethoxybenzyl)-5,6,7,8-tetrahydroquinazoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696662	.	.	.	.	314.4	C17H22N4O2	96.3	384	2.4	23	2	6	4	"InChI=1S/C17H22N4O2/c1-22-12-4-6-15(23-2)11(9-12)7-10-3-5-14-13(8-10)16(18)21-17(19)20-14/h4,6,9-10H,3,5,7-8H2,1-2H3,(H4,18,19,20,21)"	COC1=CC(=C(C=C1)OC)CC2CCC3=C(C2)C(=NC(=N3)N)N	YGCBRLOKQASAIE-UHFFFAOYSA-N
DG60518	"6-(3,4-Dimethoxybenzyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine"	484960	"CHEMBL267616; 6-(3,4-dimethoxybenzyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine; 6-(3,4-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-quinazoline-2,4-diamine; PY 896; Neuro_000486; BDBM50074719; NSC696660; 6-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine; NSC-696660; NCI60_034473; (6R,4-Diamino-6-(3,4-dimethoxybenzyl)-5,6,7,8-tetrahydroquinazoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696660	.	.	.	.	314.4	C17H22N4O2	96.3	384	2.4	23	2	6	4	"InChI=1S/C17H22N4O2/c1-22-14-6-4-11(9-15(14)23-2)7-10-3-5-13-12(8-10)16(18)21-17(19)20-13/h4,6,9-10H,3,5,7-8H2,1-2H3,(H4,18,19,20,21)"	COC1=C(C=C(C=C1)CC2CCC3=C(C2)C(=NC(=N3)N)N)OC	XVXBYTNVUPDKPO-UHFFFAOYSA-N
DG60519	"6-(3,4,5-Trimethoxybenzyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine"	484961	"CHEMBL7063; 6-(3,4,5-trimethoxybenzyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine; 6-(3,4,5-Trimethoxy-benzyl)-5,6,7,8-tetrahydro-quinazoline-2,4-diamine; PY 899; Neuro_000487; BDBM50074721; NSC696661; NSC-696661; 6-[(3,4,5-trimethoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine; NCI60_034474; (6R,4-Diamino-6-(3,4,5-trimethoxybenzyl)-5,6,7,8-tetrahydroquinazoline; 2,4-diamino-6-(3,4,5-trimethoxybenzyl)-5,6,7,8-tetrahydro-quinazoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696661	.	.	.	.	344.4	C18H24N4O3	106	413	2.3	25	2	7	5	"InChI=1S/C18H24N4O3/c1-23-14-8-11(9-15(24-2)16(14)25-3)6-10-4-5-13-12(7-10)17(19)22-18(20)21-13/h8-10H,4-7H2,1-3H3,(H4,19,20,21,22)"	COC1=CC(=CC(=C1OC)OC)CC2CCC3=C(C2)C(=NC(=N3)N)N	CEJLKULOOMMHNK-UHFFFAOYSA-N
DG60520	"10,11-Methylenedioxy-20(S)-glycinyl camptothecin hydrochloride"	486155	"SCHEMBL22010135; NSC671900; NSC-671900; 10,11-Methylenedioxy-20(S)-glycinyl camptothecin hydrochloride; (4S)-4alpha-Ethyl-4-(aminoacetoxy)-8,9-(methylenedioxy)-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; (7S)-7-Ethyl-8,11-dioxo-7,13-dihydro-2H,10H-1,3-dioxolano[4,5-g]pyrano[3',4'-6,7]indolizino[1,2-b]quinolin-7-yl 2-aminoacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671900	.	.	.	.	449.4	C23H19N3O7	130	977	0.5	33	1	9	4	"InChI=1S/C23H19N3O7/c1-2-23(33-19(27)7-24)14-5-16-20-12(8-26(16)21(28)13(14)9-30-22(23)29)3-11-4-17-18(32-10-31-17)6-15(11)25-20/h3-6H,2,7-10,24H2,1H3/t23-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C6C(=CC5=C4)OCO6)OC(=O)CN	ZCVLTIWFTLQSTM-QHCPKHFHSA-N
DG60521	Antineoplastic-672552	486156	"NSC-672552; ANTINEOPLASTIC-672552; NSC672552; (amino-ethyl-dioxo-[ ]yl) 2-aminoacetate; 9-Amino-10,11-MD-20 (S)-CPT; 9-Amino-10,11-methylenedioxy-20(S)-glycinyl camptothecin hydrochloride; (7S)-15-Amino-7-ethyl-8,11-dioxo-7,13-dihydro-2H,10H-1,3-dioxolano[4,5-g]pyrano[3',4'-6,7]indolizino[1,2-b]quinolin-7-yl 2-aminoacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672552	.	.	.	.	464.4	C23H20N4O7	156	1010	-0.2	34	2	10	4	"InChI=1S/C23H20N4O7/c1-2-23(34-17(28)6-24)13-4-15-19-10(7-27(15)21(29)12(13)8-31-22(23)30)3-11-14(26-19)5-16-20(18(11)25)33-9-32-16/h3-5H,2,6-9,24-25H2,1H3/t23-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C6=C(C=C5N=C4C3=C2)OCO6)N)OC(=O)CN	FFQWUYZGOQOZFW-QHCPKHFHSA-N
DG60522	"7-Chloromethyl-10,11-methylenedioxy-20(S)-camptothecin-20-glycinate ester hydrochloride"	486157	"NSC688687; NSC-688687; (chloromethyl-ethyl-dioxo-[ ]yl) 2-aminoacetate; 7-Chloromethyl-10,11-methylenedioxy-20(S)-camptothecin-20-glycinate ester hydrochloride; (4S)-4alpha-Ethyl-11-(chloromethyl)-4-(aminoacetoxy)-8,9-(methylenedioxy)-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; (7S)-14-(Chloromethyl)-7-ethyl-8,11-dioxo-7,13-dihydro-2H,10H-1,3-dioxolano[4,5-g]pyrano[3',4'-6,7]indolizino[1,2-b]quinolin-7-yl 2-aminoacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688687	.	.	.	.	497.9	C24H20ClN3O7	130	1030	0.9	35	1	9	5	"InChI=1S/C24H20ClN3O7/c1-2-24(35-20(29)7-26)15-4-17-21-13(8-28(17)22(30)14(15)9-32-23(24)31)12(6-25)11-3-18-19(34-10-33-18)5-16(11)27-21/h3-5H,2,6-10,26H2,1H3/t24-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC6=C(C=C5N=C4C3=C2)OCO6)CCl)OC(=O)CN	LBROZKPMBVXJJK-DEOSSOPVSA-N
DG60523	NSC630995	486542	"S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 3-methylenedodecanethioate; AIDS108826; (Acyl-CoA); [M+H]+;; NSC630995; Coenzyme A, S-(3-methylene-1-oxodecyl)-; 9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy[3-hydroxy-2,2-dimethyl-4-[[3-[[2-[(3-methylene-1-oxododecyl)thio]ethyl]amino]-3-oxopropyl]amino]-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-3-O-phosphono-b-D-ribofuranosyl]-; S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 3-methylenedodecanethioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630995	.	.	.	.	961.8	C34H58N7O17P3S	389	1630	-0.1	62	9	22	30	"InChI=1S/C34H58N7O17P3S/c1-5-6-7-8-9-10-11-12-22(2)17-25(43)62-16-15-36-24(42)13-14-37-32(46)29(45)34(3,4)19-55-61(52,53)58-60(50,51)54-18-23-28(57-59(47,48)49)27(44)33(56-23)41-21-40-26-30(35)38-20-39-31(26)41/h20-21,23,27-29,33,44-45H,2,5-19H2,1,3-4H3,(H,36,42)(H,37,46)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/t23-,27-,28-,29 ,33-/m1/s1"	CCCCCCCCCC(=C)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O	RCLFDFMKMOJNRC-XILBVEEWSA-N
DG60524	Camptothecinethylglycinate esterhydrochloride	489614	"NSC606497; CHEMBL1995417; NSC-606497; Camptothecinethylglycinate esterhydrochloride; [ethyl(dioxo)[ ]yl] 2-(ethylamino)acetate; Camptothecin ethylglycinate ester hydrochloride; Glycine, 4-ethyl-3,4,12,14-tetrahydro- 3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin- 4-yl ester, monohydrochloride, (S)-; Glycine,N-ethyl-, 4-ethyl-3,4,12,14-tetrahydro- 3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin- 4-yl ester,monohydrochloride, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606497	.	.	.	.	469.9	C24H24ClN3O5	97.8	896	.	33	2	7	6	"InChI=1S/C24H23N3O5.ClH/c1-3-24(32-20(28)11-25-4-2)17-10-19-21-15(9-14-7-5-6-8-18(14)26-21)12-27(19)22(29)16(17)13-31-23(24)30;/h5-10,25H,3-4,11-13H2,1-2H3;1H/t24-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CNCC.Cl	TTXKNULRBZAHTC-JIDHJSLPSA-N
DG60525	Camptothecinhemisuccinate	489616	"NSC610456; Camptothecinhemisuccinate; CHEMBL2008959; SCHEMBL13649172; NCI60_004790; 4-[ethyl(dioxo)[ ]yl]oxy-4-oxo-butanoic acid; Butanedioic acid, mono[(4S)-4-ethyl-3,4,12,14-tetrahydro-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl] ester; Butanedioic acid,4-ethyl-3,4,12,14-tetrahydro-3,14-dioxo- 1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl ester, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	610456	.	.	.	.	448.4	C24H20N2O7	123	970	1	33	1	8	6	"InChI=1S/C24H20N2O7/c1-2-24(33-20(29)8-7-19(27)28)16-10-18-21-14(9-13-5-3-4-6-17(13)25-21)11-26(18)22(30)15(16)12-32-23(24)31/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,27,28)/t24-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CCC(=O)O	UESWSQRNVWIBPP-DEOSSOPVSA-N
DG60526	N-acetyl-1-benzyl-muramyl-L-valil-D-isoglutamyl-N-delta-butylamino-9'(1'-nitroacridine)	489622	NSC697468; N-acetyl-1-benzyl-muramyl-L-valil-D-isoglutamyl-N-.delta.-butylamino-9'(1'-nitroacridine); CHEMBL1968288; NSC-697468; NCI60_034764; 2-[[2-[2-[3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoylamino]-3-methyl-butanoyl]amino]-N'-[4-[(1-nitroacridin-9-yl)amino]butyl]pentanediamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697468	.	.	.	.	903	C45H58N8O12	298	1580	2.8	65	8	14	22	"InChI=1S/C45H58N8O12/c1-25(2)37(52-43(59)26(3)64-41-39(49-27(4)55)45(65-34(23-54)40(41)57)63-24-28-13-6-5-7-14-28)44(60)51-32(42(46)58)19-20-35(56)47-21-10-11-22-48-38-29-15-8-9-16-30(29)50-31-17-12-18-33(36(31)38)53(61)62/h5-9,12-18,25-26,32,34,37,39-41,45,54,57H,10-11,19-24H2,1-4H3,(H2,46,58)(H,47,56)(H,48,50)(H,49,55)(H,51,60)(H,52,59)"	CC(C)C(C(=O)NC(CCC(=O)NCCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C	ILJXPSQYBXCFCY-UHFFFAOYSA-N
DG60527	4-chloro-N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide	493035	"GNF-Pf-364; Oprea1_692001; Oprea1_871686; C27H18Cl2N4O2; CHEMBL581475; ZINC8926238; MMV006962; NSC766755; STK527858; AKOS000747192; MCULE-5202645048; NSC-766755; 4-chloro-N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide; BRD-K95314572-001-01-2; BRD-K95314572-001-02-0; 4-chloro-N-[4-(5-{[(4-chlorophenyl)carbonyl]amino}-1H-benzimidazol-2-yl)phenyl]benzamide; Benzamide, 4-chloro-N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-; 251341-19-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766755	.	.	.	.	501.4	C27H18Cl2N4O2	86.9	731	6.1	35	3	3	5	"InChI=1S/C27H18Cl2N4O2/c28-19-7-1-17(2-8-19)26(34)30-21-11-5-16(6-12-21)25-32-23-14-13-22(15-24(23)33-25)31-27(35)18-3-9-20(29)10-4-18/h1-15H,(H,30,34)(H,31,35)(H,32,33)"	C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)NC(=O)C5=CC=C(C=C5)Cl	WLBJJWICAOVTHR-UHFFFAOYSA-N
DG60528	Septacidin	494023	"Spicamycin; Septacidin; Crystalline Antibiotic; Squibb antibiotic 1325; NSC65104; Crystalline Antibiotic (B-17325); MLS002702993; 87099-85-2; CHEBI:80079; NSC-65104; 62362-59-8; B 17325K008; L-glycero-.beta.-L-gluco-Heptopyranosylamine, 4-deoxy-4-((((14-methyl-1-oxopentadecyl)amino)acetyl)amino)-N-1H-purin-6-yl-; L-glycero-.beta.-L-gluco-Heptopyranosylamine, 4-deoxy-4-[[[(14-methyl-1-oxopentadecyl)amino]acetyl]amino]-N-1H-purin-6-yl-; CHEMBL1702321; DTXSID40977909; L-glycero-beta-L-manno-Heptopyranosylamine, 4-deoxy-4-((((14-methyl-1-oxopentadecyl)amino)acetyl)amino)-N-1H-purin-6-yl-; N-[2-[[2-(1,2-dihydroxyethyl)-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadecanamide; NCI60_017861; SMR001566802; Q27149232; 4-Deoxy-4-((((14-methylpentadecanoyl)amino)acetyl)amino)-N-(9H-purin-6-yl)heptopyranosylamine; 4-Deoxy-4-(([(14-methylpentadecanoyl)amino]acetyl)amino)-N-(7H-purin-6-yl)heptopyranosylamine #; 4-Deoxy-4-({1-hydroxy-2-[(1-hydroxy-14-methylpentadecylidene)amino]ethylidene}amino)-N-9H-purin-6-ylheptopyranosylamine; L-Glycero-.beta.-L-gluco-Heptopyranosylamine, {4-deoxy-4-[[[(14-methyl-1-oxopentadecyl)amino]acetyl]amino]-N-1H-p} urin-6-yl-; N-(2-((6-((7H-purin-6-yl)amino)-2-(1,2-dihydroxyethyl)-4,5-dihydroxytetrahydro-2H-pyran-3-yl)amino)-2-oxoethyl)-14-methylpentadecanamide; N-[2-[[2-(1,2-dihydroxyethyl)-4,5-dihydroxy-6-(9H-purin-6-ylamino)tetrahydropyran-3-yl]amino]-2-oxo-ethyl]-14-methyl-pentadecanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	65104	.	.	.	.	621.8	C30H51N7O7	215	842	4.1	44	8	11	20	"InChI=1S/C30H51N7O7/c1-19(2)13-11-9-7-5-3-4-6-8-10-12-14-21(40)31-15-22(41)36-23-25(42)26(43)30(44-27(23)20(39)16-38)37-29-24-28(33-17-32-24)34-18-35-29/h17-20,23,25-27,30,38-39,42-43H,3-16H2,1-2H3,(H,31,40)(H,36,41)(H2,32,33,34,35,37)"	CC(C)CCCCCCCCCCCCC(=O)NCC(=O)NC1C(C(C(OC1C(CO)O)NC2=NC=NC3=C2NC=N3)O)O	YBZRLMLGUBIIDN-UHFFFAOYSA-N
DG60529	"6-Methoxy-7-(2lambda(5)-1,2-triazadienyl)-5,8-quinolinedione"	494043	"14097-33-7; NSC81052; STREPTONIGRIN ANALOG (MEO-N3); 6-Methoxy-7-(2lambda(5)-1,2-triazadienyl)-5,8-quinolinedione; NSC 81052; CHEMBL1988643; DTXSID00161509; NSC-81052; ZINC73352153; 7-azido-6-methoxy-quinoline-5,8-dione; NCI60_041781; 6-Methoxy-7-(2.lambda.~5~-1,2-triazadienyl)-5,8-quinolinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	81052	.	.	.	.	230.18	C10H6N4O3	70.6	451	2	17	0	6	2	"InChI=1S/C10H6N4O3/c1-17-10-7(13-14-11)9(16)6-5(8(10)15)3-2-4-12-6/h2-4H,1H3"	COC1=C(C(=O)C2=C(C1=O)C=CC=N2)N=[N+]=[N-]	YRYFUSNXXXSWDJ-UHFFFAOYSA-N
DG60530	7-(2-(6-Ethoxy-1-methyl-15-quinolin-2-yl)vinyl)-5-methyl-8-quinolinol	494058	NSC86372; NCIStruc1_001442; NCIStruc2_001762; 13953-25-8; NCI60_041910; 7-(2-(6-ethoxy-1-methyl-15-quinolin-2-yl)vinyl)-5-methyl-8-quinolinol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	86372	.	.	.	.	371.5	C24H23N2O2+	46.2	539	5.2	28	1	3	4	"InChI=1S/C24H22N2O2/c1-4-28-20-11-12-22-17(15-20)7-9-19(26(22)3)10-8-18-14-16(2)21-6-5-13-25-23(21)24(18)27/h5-15H,4H2,1-3H3/p+1"	CCOC1=CC2=C(C=C1)[N+](=C(C=C2)C=CC3=C(C4=C(C=CC=N4)C(=C3)C)O)C	VWLPEJSPURQONM-UHFFFAOYSA-O
DG60531	NSC114781	494094	"N-[[6-(2,3-dimethoxypropyl)-4-hydroxy-5,5-dimethyl-tetrahydropyran-2-yl]-methoxy-methyl]-2-hydroxy-2-(2-methoxy-5,6-dimethyl-4-methylene-tetrahydropyran-2-yl)acetamide; NSC114781; SCHEMBL23084888; 2H-Puran-2-acetamide, N-[[6-(2,3-dimethoxypropyl)tetrahydro-4-hydroxy-5,5-dimethyl-2H-pyran-2-yl]tetrahydro-.alpha.-hydroxy-2-methoxy-5, 6-dimethyl-4-methylene-, [2S-[2.alpha.[R*[R*(2S*,5S*,6S*)]], 4.beta.,6.beta.(R*)]]-; 2H-Pyran-2-glycolamide, N-[[6-(2,3-dimethoxypropyl)tetrahydro-3-hydroxy-5,5-dimethyl-2H-pyran-2-yl]methoxymethyl]tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-; N-[[6-(2,3-dimethoxypropyl)-4-hydroxy-5,5-dimethyl-tetrahydropyran-2-yl]-methoxy-methyl]-2-hydroxy-2-(2-methoxy-5,6-dimethyl-4-methylene-tetrahydropyran-2-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114781	.	.	.	.	503.6	C25H45NO9	125	717	1	35	3	9	11	"InChI=1S/C25H45NO9/c1-14-12-25(33-9,35-16(3)15(14)2)21(28)22(29)26-23(32-8)18-11-19(27)24(4,5)20(34-18)10-17(31-7)13-30-6/h15-21,23,27-28H,1,10-13H2,2-9H3,(H,26,29)"	CC1C(OC(CC1=C)(C(C(=O)NC(C2CC(C(C(O2)CC(COC)OC)(C)C)O)OC)O)OC)C	ZNEZZONMADKYTB-UHFFFAOYSA-N
DG60532	"2,8,9-Trimethoxy-5-methyl-benzo[c]phenanthridin-5-ium-3-ol"	494186	"NSC246014; 56517-35-2; 2,8,9-Trimethoxy-5-methyl-5lambda(5)-benzo(c)phenanthridin-3-ol; CHEMBL2010371; DTXSID50205068; ZINC1766259; NCI60_001966; 2,8,9-trimethoxy-5-methyl-benzo[c]phenanthridin-5-ium-3-ol; 2,8,9-Trimethoxy-5-methyl-5.lambda.~5~-benzo[c]phenanthridin-3-ol; {Benzo[c]phenthridinium,} 3-hydroxy-2,8,9-trimethoxy- 5-methyl-, chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	246014	.	.	.	.	350.4	C21H20NO4+	51.8	489	4.4	26	1	4	3	"InChI=1S/C21H19NO4/c1-22-11-13-8-19(25-3)20(26-4)10-15(13)14-6-5-12-7-18(24-2)17(23)9-16(12)21(14)22/h5-11H,1-4H3/p+1"	C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)OC)O)OC)OC	IRDGPROXZSEVTI-UHFFFAOYSA-O
DG60533	"3-Acetyl-10-(benzyloxy)-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-naphthacenyl 3-amino-2,3,6-trideoxyhexopyranoside"	494209	"67903-59-7; 3-Acetyl-10-(benzyloxy)-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-naphthacenyl 3-amino-2,3,6-trideoxyhexopyranoside; NSC286628; NSC 286628; 4-Phenylmethoxydaunorubicin; DTXSID20218125; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-benzyloxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione; 5,12-Naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-(phenylmethoxy)-, hydrochloride, (8S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	286628	.	.	.	.	603.6	C33H33NO10	186	1100	3.3	44	5	11	6	"InChI=1S/C33H33NO10/c1-15-28(36)20(34)11-23(43-15)44-22-13-33(41,16(2)35)12-19-25(22)32(40)27-26(30(19)38)29(37)18-9-6-10-21(24(18)31(27)39)42-14-17-7-4-3-5-8-17/h3-10,15,20,22-23,28,36,38,40-41H,11-14,34H2,1-2H3/t15-,20-,22-,23-,28+,33-/m0/s1"	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OCC6=CC=CC=C6)O)(C(=O)C)O)N)O	SRILNPQAKDAONQ-PLCAQZSNSA-N
DG60534	"Tin, (2,2'-bipyridine-N,N')butyldichlorophenyl-"	494241	"butyl-dichloro-phenyl-[ ]; NSC333598; Tin, (2,2'-bipyridine-N,N')butyldichlorophenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	333598	.	.	.	.	480	C20H22Cl2N2Sn	25.8	333	.	25	0	2	4	"InChI=1S/C10H8N2.C6H5.C4H9.2ClH.Sn/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-4-6-5-3-1;1-3-4-2;;;/h1-8H;1-5H;1,3-4H2,2H3;2*1H;/q;;;;;+2/p-2"	CCCC[Sn](C1=CC=CC=C1)(Cl)Cl.C1=CC=NC(=C1)C2=CC=CC=N2	WEINTDYEVUNJCD-UHFFFAOYSA-L
DG60535	"1-Ethyl-4-oxido-6-phenyl-pyrazolo[3,4-b]pyrazin-4-ium"	494317	"NSC602891; CHEMBL1999033; SCHEMBL13856830; ZINC1608208; NSC-602891; NCI60_004576; 1-ethyl-4-oxido-6-phenyl-pyrazolo[3,4-b]pyrazin-4-ium; 1-Ethyl-6-phenyl-1H-4.lambda.~5~-pyrazolo[3,4-b]pyrazin-4-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602891	.	.	.	.	240.26	C13H12N4O	56.2	282	0.8	18	0	3	2	"InChI=1S/C13H12N4O/c1-2-16-13-12(8-14-16)17(18)9-11(15-13)10-6-4-3-5-7-10/h3-9H,2H2,1H3"	CCN1C2=NC(=C[N+](=C2C=N1)[O-])C3=CC=CC=C3	NJKXIZYAJNKCRR-UHFFFAOYSA-N
DG60536	Dichloro-bis(4-fluorophenyl)stannane;2-pyridin-2-ylpyridine	494335	NSC608462; dichloro-bis(4-fluorophenyl)[ ]; NCI60_004729	.	.	Investigative Drug(s)	Investigative	Small molecular drug	608462	.	.	.	.	536	C22H16Cl2F2N2Sn	25.8	430	.	29	0	4	2	InChI=1S/C10H8N2.2C6H4F.2ClH.Sn/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*7-6-4-2-1-3-5-6;;;/h1-8H;2*2-5H;2*1H;/q;;;;;+2/p-2	C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC(=CC=C1F)[Sn](C2=CC=C(C=C2)F)(Cl)Cl	WPTBRMSUYBNUMV-UHFFFAOYSA-L
DG60537	"2-[6-(4,4,7,9a-Tetramethyl-2,3,3a,4a,5,6,8a,9-octahydrobenzo[f]benzofuran-2-yl)-6-methyl-dioxan-3-yl]propanoic acid"	494493	"Trunculin B; NSC625517; 2-(6-(4,4,7,9a-Tetramethyl-2,3,3a,4,4a,5,6,8a,9,9a-decahydronaphtho[2,3-b]furan-2-yl)-6-methyl-1,2-dioxan-3-yl)propanoic acid; 2-[6-(4,4,7,9a-tetramethyl-2,3,3a,4a,5,6,8a,9-octahydrobenzo[f]benzofuran-2-yl)-6-methyl-dioxan-3-yl]propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625517	.	.	.	.	406.6	C24H38O5	65	699	4.5	29	1	5	3	"InChI=1S/C24H38O5/c1-14-7-8-17-16(11-14)13-24(6)19(22(17,3)4)12-20(27-24)23(5)10-9-18(28-29-23)15(2)21(25)26/h11,15-20H,7-10,12-13H2,1-6H3,(H,25,26)"	CC1=CC2CC3(C(CC(O3)C4(CCC(OO4)C(C)C(=O)O)C)C(C2CC1)(C)C)C	HVANTBKYRQAYSD-UHFFFAOYSA-N
DG60538	"5-Methyl-11-phenyl-benzo[d][1,3,6,2]benzodioxazaborocine"	494513	"NSC626174; 5-methyl-11-phenyl-benzo[d][1,3,6,2]benzodioxazaborocine; 12H-Dibenzo[d,g][1,3,6,2]dioxazaborocine, 12-methyl-6-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626174	.	.	.	.	301.1	C19H16BNO2	21.7	362	.	23	0	3	1	"InChI=1S/C19H16BNO2/c1-21-16-11-5-7-13-18(16)22-20(15-9-3-2-4-10-15)23-19-14-8-6-12-17(19)21/h2-14H,1H3"	B1(OC2=CC=CC=C2N(C3=CC=CC=C3O1)C)C4=CC=CC=C4	DILDAZZJCCWKSF-UHFFFAOYSA-N
DG60539	"{17alpha-Methyl-4-androsteno[3,2-c]isoxaole-4,17-diol}"	494523	"NSC626410; {17.Alpha.-Methyl-4-androsteno[3,2-c]isoxaole-4,17-diol}; 1,10a,12a-Trimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[2,3-c]isoxazole-1,6-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626410	.	.	.	.	343.5	C21H29NO3	66.5	633	3.5	25	2	4	0	"InChI=1S/C21H29NO3/c1-19-10-12-11-25-22-17(12)18(23)16(19)5-4-13-14(19)6-8-20(2)15(13)7-9-21(20,3)24/h11,13-15,23-24H,4-10H2,1-3H3"	CC12CCC3C(C1CCC2(C)O)CCC4=C(C5=NOC=C5CC34C)O	QULFQPVZXZYVKS-UHFFFAOYSA-N
DG60540	3-diphenylboranyloxy-2-methyl-1H-pyridin-4-one	494604	"NSC627774; 3-diphenylboranyloxy-2-methyl-1H-pyridin-4-one; Borinic acid, diphenyl-, 1,4-dihydro-2-methyl-4-oxo-3-pyridinyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627774	.	.	.	.	289.1	C18H16BNO2	38.3	442	.	22	1	3	4	"InChI=1S/C18H16BNO2/c1-14-18(17(21)12-13-20-14)22-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13H,1H3,(H,20,21)"	B(C1=CC=CC=C1)(C2=CC=CC=C2)OC3=C(NC=CC3=O)C	ASAFTXMFLNEBCI-UHFFFAOYSA-N
DG60541	2-[(10-Oxidoacridin-10-ium-9-yl)methylamino]-3-sulfanyl-propanoic acid	494613	NSC627894; CHEMBL1972154; NSC-627894; NCI60_008963; N-((10-Hydroxy-10.lambda.~5~-acridin-9-yl)methyl)cysteine; 2-[(10-oxidoacridin-10-ium-9-yl)methylamino]-3-sulfanyl-propanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627894	.	.	.	.	328.4	C17H16N2O3S	75.8	399	-0.5	23	3	5	5	"InChI=1S/C17H16N2O3S/c20-17(21)14(10-23)18-9-13-11-5-1-3-7-15(11)19(22)16-8-4-2-6-12(13)16/h1-8,14,18,23H,9-10H2,(H,20,21)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=[N+]2[O-])CNC(CS)C(=O)O	KMURGFIZSJATNI-UHFFFAOYSA-N
DG60542	3-Methyl-2-[(10-oxidoacridin-10-ium-9-yl)methylamino]butanoic acid	494614	NSC627895; CHEMBL1974017; 3-methyl-2-[(10-oxidoacridin-10-ium-9-yl)methylamino]butanoic acid; NSC-627895; NCI60_008964; N-((10-Hydroxy-10.lambda.~5~-acridin-9-yl)methyl)valine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627895	.	.	.	.	324.4	C19H20N2O3	74.8	418	0.6	24	2	4	5	"InChI=1S/C19H20N2O3/c1-12(2)18(19(22)23)20-11-15-13-7-3-5-9-16(13)21(24)17-10-6-4-8-14(15)17/h3-10,12,18,20H,11H2,1-2H3,(H,22,23)"	CC(C)C(C(=O)O)NCC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)[O-]	IEBSGLZZVOUHQG-UHFFFAOYSA-N
DG60543	1-[4-[(10-Oxidoacridin-10-ium-9-yl)methylamino]phenyl]sulfonylguanidine	494616	NSC627897; CHEMBL1992087; ZINC32067623; NSC-627897; NCI60_008966; 1-[4-[(10-oxidoacridin-10-ium-9-yl)methylamino]phenyl]sulfonylguanidine; 9-((4-(((Amino(imino)methyl)amino)sulfonyl)anilino)methyl)-10-hydroxy-10.lambda.~5~-acridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627897	.	.	.	.	421.5	C21H19N5O3S	144	689	2.1	30	3	5	5	"InChI=1S/C21H19N5O3S/c22-21(23)25-30(28,29)15-11-9-14(10-12-15)24-13-18-16-5-1-3-7-19(16)26(27)20-8-4-2-6-17(18)20/h1-12,24H,13H2,(H4,22,23,25)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=[N+]2[O-])CNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N	RYPHBQJTSJNOAY-UHFFFAOYSA-N
DG60544	NSC633091	494810	"Benzyl 2-[2-[2-[1-(1-acetamido-2-oxo-ethyl)-4-[3-[(6-chloro-2-methoxy-acridin-9-yl)amino]propanoyloxy]-2,3-dihydroxy-butoxy]propanoylamino]propanoylamino]-5-amino-5-oxo-pentanoate; NSC633091; {6-O[N-(3'-Chloro-7'-methoxyacridyl-9')-.beta.-alanyl]-muramyl} dipeptide; 2-(Acetylamino)-3-O-(2-((2-((4-amino-1-((benzyloxy)carbonyl)-4-oxobutyl)amino)-1-methyl-2-oxoethyl)amino)-1-methyl-2-oxoethyl)-6-O-(3-((6-chloro-2-methoxy-9-acridinyl)amino)propanoyl)-2-deoxyhexose; benzyl 2-[2-[2-[1-(1-acetamido-2-oxo-ethyl)-4-[3-[(6-chloro-2-methoxy-acridin-9-yl)amino]propanoyloxy]-2,3-dihydroxy-butoxy]propanoylamino]propanoylamino]-5-amino-5-oxo-pentanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633091	.	.	.	.	895.3	C43H51ClN6O13	284	1540	2.2	63	7	15	26	"InChI=1S/C43H51ClN6O13/c1-23(41(57)50-32(14-15-36(45)54)43(59)62-21-26-8-6-5-7-9-26)47-42(58)24(2)63-40(34(20-51)48-25(3)52)39(56)35(53)22-61-37(55)16-17-46-38-29-12-10-27(44)18-33(29)49-31-13-11-28(60-4)19-30(31)38/h5-13,18-20,23-24,32,34-35,39-40,53,56H,14-17,21-22H2,1-4H3,(H2,45,54)(H,46,49)(H,47,58)(H,48,52)(H,50,57)"	CC(C(=O)NC(CCC(=O)N)C(=O)OCC1=CC=CC=C1)NC(=O)C(C)OC(C(C=O)NC(=O)C)C(C(COC(=O)CCNC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC)O)O	QSJYOXMWCXARLE-UHFFFAOYSA-N
DG60545	NSC633093	494812	"Benzyl 2-[2-[2-[1-(1-acetamido-2-oxo-ethyl)-2,3-dihydroxy-4-[3-[(1-nitroacridin-9-yl)amino]propanoyloxy]butoxy]propanoylamino]propanoylamino]-5-amino-5-oxo-pentanoate; NSC633093; 6-O[N-1'-nitroacridyl-9')-.beta.-alanyl]muramyl dipeptide; benzyl 2-[2-[2-[1-(1-acetamido-2-oxo-ethyl)-2,3-dihydroxy-4-[3-[(1-nitroacridin-9-yl)amino]propanoyloxy]butoxy]propanoylamino]propanoylamino]-5-amino-5-oxo-pentanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633093	.	.	.	.	875.9	C42H49N7O14	321	1580	1.4	63	7	16	25	"InChI=1S/C42H49N7O14/c1-23(40(56)48-30(16-17-34(43)53)42(58)62-21-26-10-5-4-6-11-26)45-41(57)24(2)63-39(31(20-50)46-25(3)51)38(55)33(52)22-61-35(54)18-19-44-37-27-12-7-8-13-28(27)47-29-14-9-15-32(36(29)37)49(59)60/h4-15,20,23-24,30-31,33,38-39,52,55H,16-19,21-22H2,1-3H3,(H2,43,53)(H,44,47)(H,45,57)(H,46,51)(H,48,56)"	CC(C(=O)NC(CCC(=O)N)C(=O)OCC1=CC=CC=C1)NC(=O)C(C)OC(C(C=O)NC(=O)C)C(C(COC(=O)CCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-])O)O	RQYHZSZGMMPZJQ-UHFFFAOYSA-N
DG60546	"4-Methyl-7-oxo-1,6-diphenyl-5,6-diazaspiro[2.4]hept-4-ene-2,2-dicarbonitrile"	494884	"NSC634353; 4-methyl-7-oxo-1,6-diphenyl-5,6-diazaspiro[2.4]hept-4-ene-2,2-dicarbonitrile; 2,6-Diphenyl-4-methyl-7-oxo-5,6-diazaspiro[2.4]hepta-4-ene-1,1-dicarbonitrile; 4-Methyl-7-oxo-2,6-diphenyl-5,6-diazaspiro[2.4]hept-4-ene-1,1-dicarbonitrile; {5,6-Diazaspiro[2,4]hept-4-ene-1,1-dicarbonitrile,} 4-methyl-7-oxo-2,6-diphenyl, trans-(+/-)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634353	.	.	.	.	326.4	C20H14N4O	80.2	695	2.1	25	0	4	2	"InChI=1S/C20H14N4O/c1-14-20(18(25)24(23-14)16-10-6-3-7-11-16)17(19(20,12-21)13-22)15-8-4-2-5-9-15/h2-11,17H,1H3"	CC1=NN(C(=O)C12C(C2(C#N)C#N)C3=CC=CC=C3)C4=CC=CC=C4	FHDQRKRZCSVIJW-UHFFFAOYSA-N
DG60547	"2-(4-Bromophenyl)-6,7-dimethyl-8-phenyl-1,3,6,2-dioxazaborocan-4-one"	494957	"NSC639230; 2-(4-bromophenyl)-6,7-dimethyl-8-phenyl-1,3,6,2-dioxazaborocan-4-one; 4H-1,3,6,2-Dioxazaborocin-4-one, 2-(4-bromophenyl)tetrahydro-6,7-dimethyl-8-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639230	.	.	.	.	388.1	C18H19BBrNO3	38.8	425	.	24	0	4	2	"InChI=1S/C18H19BBrNO3/c1-13-18(14-6-4-3-5-7-14)24-19(23-17(22)12-21(13)2)15-8-10-16(20)11-9-15/h3-11,13,18H,12H2,1-2H3"	B1(OC(C(N(CC(=O)O1)C)C)C2=CC=CC=C2)C3=CC=C(C=C3)Br	MUJZHXLYHITWLP-UHFFFAOYSA-N
DG60548	Quinaldopeptin	495025	"Quinaldopeptin; 130743-07-6; NSC641261; HY-136295; J-005871; 3-Hydroxy-N-(41-(((3-hydroxy-2-quinolinyl)carbonyl)amino)-8,20,30,42-tetramethyl-6,9,12,18,22,28,31,34,40,44-decaoxotritetracontahydrotetrapyrido[1,2-a:1,2-j:1,2-q:1,2-z][1,4,7,10,13,17,20,23,26,29]decaazacyclodotriacontin-19-yl)-2-quinolinecarboxamide; 3-hydroxy-N-[[(3-hydroxyquinoline-2-carbonyl)amino]-tetramethyl-decaoxo-[ ]yl]quinoline-2-carboxamide; 3-Hydroxy-N-[27-[(3-hydroxyquinoline-2-carbonyl)amino]-4,15,28,39-tetramethyl-2,6,13,16,19,26,30,37,40,43-decaoxo-1,5,12,15,18,25,29,36,39,42-decazapentacyclo[42.4.0.07,12.020,25.031,36]octatetracontan-3-yl]quinoline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641261	.	.	.	.	1243.4	C62H78N14O14	363	2510	2.5	90	8	16	4	"InChI=1S/C62H78N14O14/c1-35-51(69-59(87)53-45(77)29-37-17-5-7-19-39(37)67-53)61(89)75-27-15-11-21-41(75)55(83)63-31-47(79)72(4)34-50(82)74-26-14-10-24-44(74)58(86)66-36(2)52(70-60(88)54-46(78)30-38-18-6-8-20-40(38)68-54)62(90)76-28-16-12-22-42(76)56(84)64-32-48(80)71(3)33-49(81)73-25-13-9-23-43(73)57(85)65-35/h5-8,17-20,29-30,35-36,41-44,51-52,77-78H,9-16,21-28,31-34H2,1-4H3,(H,63,83)(H,64,84)(H,65,85)(H,66,86)(H,69,87)(H,70,88)"	CC1C(C(=O)N2CCCCC2C(=O)NCC(=O)N(CC(=O)N3CCCCC3C(=O)NC(C(C(=O)N4CCCCC4C(=O)NCC(=O)N(CC(=O)N5CCCCC5C(=O)N1)C)NC(=O)C6=NC7=CC=CC=C7C=C6O)C)C)NC(=O)C8=NC9=CC=CC=C9C=C8O	KIPSHYPQCJYONU-UHFFFAOYSA-N
DG60549	6-bromo-3-[5-(6-bromo-1H-indol-3-yl)piperazin-2-yl]-1H-indole	495221	"NSC646024; 2,5-bis(6'-bromo-3'-indolyl)piperazine; SCHEMBL6335603; 6-bromo-3-[5-(6-bromo-1H-indol-3-yl)piperazin-2-yl]-1H-indole; 6-Bromo-3-(5-(6-bromo-1H-indol-3-yl)-2-piperazinyl)-1H-indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646024	.	.	.	.	474.2	C20H18Br2N4	55.6	462	3.8	26	4	2	2	"InChI=1S/C20H18Br2N4/c21-11-1-3-13-15(7-23-17(13)5-11)19-9-26-20(10-25-19)16-8-24-18-6-12(22)2-4-14(16)18/h1-8,19-20,23-26H,9-10H2"	C1C(NCC(N1)C2=CNC3=C2C=CC(=C3)Br)C4=CNC5=C4C=CC(=C5)Br	MWNHJASCQSIGAO-UHFFFAOYSA-N
DG60550	NSC654207	495416	"15-[1-(2-Hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl)ethyl]-2-methyl-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-4,12(17),13,15-tetraen-3-one; Salpichrolide A; NSC654207; 1-(5-hydroxy-1,6-dimethyl-4,7-dioxabicyclo[4.1.0]heptan-3-yl)ethyl-methyl-[ ]one; 2,3-Anhydro-6-(12b-methyl-1-oxo-1,5a,6,6a,11,12,12a,12b-octahydro-4H-chryseno[6a,6-b]oxiren-9-yl)-4,6,7-trideoxy-2,3-dimethylheptopyranose"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654207	.	.	.	.	450.6	C28H34O5	71.6	916	3.5	33	1	5	2	"InChI=1S/C28H34O5/c1-15(21-14-25(2)27(4,33-25)24(30)31-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23-28(32-23)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30H,8,10-11,13-14H2,1-4H3"	CC(C1CC2(C(O2)(C(O1)O)C)C)C3=CC4=C(C=C3)C5CC6C7(O6)CC=CC(=O)C7(C5CC4)C	CPHPTFZOHUSPRV-UHFFFAOYSA-N
DG60551	NSC657923	495538	"6,15-Dihydroxy-15-(4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-6-yl)-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one; Acnistin F; NSC657923; dihydroxy-(4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-6-yl)-dimethyl-[ ]one; 4,9-Dihydroxy-9-(4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-6-yl)-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657923	.	.	.	.	486.6	C28H38O7	117	1070	2	35	3	7	1	"InChI=1S/C28H38O7/c1-23-9-7-17-15(12-21-28(35-21)20(30)6-5-19(29)25(17,28)3)16(23)8-10-27(23,33)18-11-14-13-24(18,2)26(4,32)22(31)34-14/h5-6,14-18,20-21,30,32-33H,7-13H2,1-4H3"	CC12CCC3C(C1CCC2(C4CC5CC4(C(C(=O)O5)(C)O)C)O)CC6C7(C3(C(=O)C=CC7O)C)O6	QXCNIIZHTUXBPS-UHFFFAOYSA-N
DG60552	"14-(Benzyloxy)-20-ethyl-1,8,16-trimethoxy-4-methylaconitan-6-yl acetate"	495543	"14-Benzoylperegrine; NSC658003; (benzyloxy-ethyl-trimethoxy-methyl-[ ]yl) acetate; 14-(Benzyloxy)-20-ethyl-1,8,16-trimethoxy-4-methylaconitan-6-yl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658003	.	.	.	.	553.7	C33H47NO6	66.5	986	3.8	40	0	7	9	"InChI=1S/C33H47NO6/c1-7-34-18-31(3)14-13-24(37-5)33-22-15-21-23(36-4)16-32(38-6,26(30(33)34)28(29(31)33)40-19(2)35)25(22)27(21)39-17-20-11-9-8-10-12-20/h8-12,21-30H,7,13-18H2,1-6H3"	CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6OCC7=CC=CC=C7)OC)OC)OC(=O)C)OC)C	MPZNHEHDGYFENJ-UHFFFAOYSA-N
DG60553	CID 495575	495575	"MLS002701604; NSC659937; CHEMBL1725046; CHEBI:181848; SMR001565205; 6,8a-Dimethyl-3-methylene-3,3a,4,5,7a,8a,8b,8c-octahydrooxireno[2',3':2,3]azuleno[4,5-b]furan-2,7-dione; 9,14-Dimethyl-5-methylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-ene-4,11-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659937	.	.	.	.	260.279	C15H16O4	55.9	573	1	19	0	4	0	"InChI=1S/C15H16O4/c1-6-4-5-8-7(2)14(17)18-12(8)10-9(6)11(16)13-15(10,3)19-13/h8,10,12-13H,2,4-5H2,1,3H3"	CC1=C2C(C3C(CC1)C(=C)C(=O)O3)C4(C(C2=O)O4)C	IQFFYNSHANWLIR-UHFFFAOYSA-N
DG60554	Physalin O	495589	"Physalin O; (25S)-25,27-Dihydrophysalin A; 120849-18-5; 5,7,18-trihydroxy-1,14,21,25-tetramethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone; NSC661114; trihydroxy(tetramethyl)[ ]tetrone; CHEBI:180760; 1H-7,15b-Epoxy-3,5-(epoxyethano)naphtho[2',1':6,7]cyclonona[1,2,3-cd]benzofuran-1,6,13,18(4H,10H)-tetrone, 2a,3,5,5a,7,7a,8,13a,13b,14,15,15a-dodecahydro-7,8,15a-trihydroxy-2a,5,13a,17-tetramethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661114	.	.	.	.	528.5	C28H32O10	157	1300	-0.1	38	3	10	0	"InChI=1S/C28H32O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,12,14-15,17-19,29,34-35H,6,8-9,11H2,1-4H3"	CC1C(=O)OC2CC1(C3C(=O)C4(C5C(CCC6(C3(C2(OC6=O)C)O4)O)C7(C(=CC5O)CC=CC7=O)C)O)C	QFAOFAWTSOFSQA-UHFFFAOYSA-N
DG60555	Hopeaphenol	495605	"Hopeaphenol; 17912-85-5; Isohopeaphenol; (8S,9R,16S)-8,16-Bis(4-hydroxyphenyl)-9-[(8S,9R,16S)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol; 8,16-bis(4-hydroxyphenyl)-9-[4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol; NSC661748; Resveratrol tetramer; NSC 661748; SCHEMBL5578371; bis(4-hydroxyphenyl)-[trihydroxy-bis(4-hydroxyphenyl)[ ]yl][ ]triol; Q15410989; (6,6'-Bibenzo(6,7)cyclohepta(1,2,3-cd)benzofuran)-4,4',8,8',10,10'-hexol, 1,1',6,6',7,7',11b,11'b-octahydro-1,1',7,7'-tetrakis(4-hydroxyphenyl)-, (1alpha,6beta(1'R*,6'S*,7'R*),7alpha)-; [6,6'-Bibenzo[6,7]cyclohepta[1,2,3-cd]benzofuran]-4,4',8,8',10,10'-hexol, 1,1',6,6',7,7',11b,11'b-octahydro-1,1',7,7'- tetrakis(4-hydroxyphenyl)-, [1.alpha.,6.beta.(1'R*,6'S*,7'R*),7.alpha.]-; 2,3,4-[6-(4-Hydroxyphenyl)-2-hydroxy-5-oxa-1,3-hexadiene-1,4,6-triyl]-9,10,11-[6-(4-hydroxyphenyl)-2-hydroxy-5-oxa-1,3-hexadiene-1,4,6-triyl]-7,14-bis(4-hydroxyphenyl)-5,6:12,13-bis[1,3]butadienobicyclo[6.6.0]tetradecane-2,5,9,12-tetraene-15,17,19,21-tetraol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661748	.	.	.	.	906.9	C56H42O12	221	1580	9.1	68	10	12	5	"InChI=1S/C56H42O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45-46,51-66H"	C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7C(C8=C(C=C(C=C8O)O)C9C(OC1=CC(=CC7=C91)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O	YQQUILZPDYJDQJ-UHFFFAOYSA-N
DG60556	"1-diphenylboranyloxy-N,N-dimethyl-1-phenyl-propan-2-amine"	495785	"NSC667869; 1-diphenylboranyloxy-N,N-dimethyl-1-phenyl-propan-2-amine; Borinic acid, diphenyl-, 2-(dimethylamino)-1-phenylpropyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667869	.	.	.	.	343.3	C23H26BNO	12.5	366	.	26	0	2	7	"InChI=1S/C23H26BNO/c1-19(25(2)3)23(20-13-7-4-8-14-20)26-24(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19,23H,1-3H3"	B(C1=CC=CC=C1)(C2=CC=CC=C2)OC(C3=CC=CC=C3)C(C)N(C)C	MQHUQMWWSRHNEW-UHFFFAOYSA-N
DG60557	Elsinochrome C	495866	"Elsinochrome C; NSC671197; 24512-87-6; 9,16-dihydroxy-12,13-bis(1-hydroxyethyl)-5,10,15,20-tetramethoxyhexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4(21),5,9,15,17(22),19-nonaene-7,18-dione; CHEMBL1995908; NSC-671197; NCI60_025146; dihydroxy-bis(1-hydroxyethyl)-tetramethoxy-[ ]dione; 5,10-Dihydroxy-1,2-bis(1-hydroxyethyl)-3,7,8,12-tetramethoxy-1,2-dihydrobenzo[ghi]perylene-4,11-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671197	.	.	.	.	548.5	C30H28O10	152	1030	3.5	40	4	10	6	"InChI=1S/C30H28O10/c1-9(31)15-16(10(2)32)26-24-22-18(28(36)30(26)40-6)12(34)8-14(38-4)20(22)19-13(37-3)7-11(33)17-21(19)23(24)25(15)29(39-5)27(17)35/h7-10,15-16,31-32,35-36H,1-6H3"	CC(C1C(C2=C3C4=C1C(=C(C5=C4C(=C6C3=C(C(=O)C=C6OC)C(=C2OC)O)C(=CC5=O)OC)O)OC)C(C)O)O	ZMNNNJBGHWVPLI-UHFFFAOYSA-N
DG60558	NSC672429	495902	"Benzyl 2-((2,5-dibenzyl-13-isobutyl-4,7,11,14-tetraoxo-1,3,6,12-tetraazacyclotetradecan-8-yl)amino)-1-(4-hydroxybenzyl)-2-oxoethylcarbamate; NSC672429; CHEMBL1988158; NSC-672429; NCI60_025725; Benzyl 2-((2,5-dibenzyl-13-isobutyl-4,7,11,14-tetraoxo-1,3,6,12-tetraazacyclotetradecan-8-yl)amino)-1-(4-hydroxybenzyl)-2-oxoethylcarbamate; benzyl N-[2-[(2,5-dibenzyl-13-isobutyl-4,7,11,14-tetraoxo-1,3,6,12-tetrazacyclotetradec-8-yl)amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672429	.	.	.	.	804.9	C45H52N6O8	204	1370	5.7	59	7	8	14	"InChI=1S/C45H52N6O8/c1-29(2)24-36-43(56)50-39(27-31-14-8-4-9-15-31)51-44(57)37(25-30-12-6-3-7-13-30)48-41(54)35(22-23-40(53)46-36)47-42(55)38(26-32-18-20-34(52)21-19-32)49-45(58)59-28-33-16-10-5-11-17-33/h3-21,29,35-39,52H,22-28H2,1-2H3,(H,46,53)(H,47,55)(H,48,54)(H,49,58)(H,50,56)(H,51,57)"	CC(C)CC1C(=O)NC(NC(=O)C(NC(=O)C(CCC(=O)N1)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5	PZWXDQGRHBKQCT-UHFFFAOYSA-N
DG60559	NSC672670	495913	"tert-Butyl 1-(4-tert-butoxybenzyl)-2-((2,5-dibenzyl-13-isobutyl-4,7,12,14-tetraoxo-1,3,6,11-tetraazacyclotetradecan-8-yl)amino)-2-oxoethylcarbamate; NSC672670; CHEMBL1978626; NSC-672670; NCI60_025790; tert-Butyl 1-(4-tert-butoxybenzyl)-2-((2,5-dibenzyl-13-isobutyl-4,7,12,14-tetraoxo-1,3,6,11-tetraazacyclotetradecan-8-yl)amino)-2-oxoethylcarbamate; tert-butyl N-[1-[(4-tert-butoxyphenyl)methyl]-2-[(2,5-dibenzyl-13-isobutyl-4,7,12,14-tetraoxo-1,3,6,11-tetrazacyclotetradec-8-yl)amino]-2-oxo-ethyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672670	.	.	.	.	827	C46H62N6O8	193	1420	6.7	60	6	8	15	"InChI=1S/C46H62N6O8/c1-29(2)25-34-39(53)47-24-23-35(48-42(56)37(50-44(58)60-46(6,7)8)27-32-19-21-33(22-20-32)59-45(3,4)5)41(55)49-36(26-30-15-11-9-12-16-30)43(57)52-38(51-40(34)54)28-31-17-13-10-14-18-31/h9-22,29,34-38H,23-28H2,1-8H3,(H,47,53)(H,48,56)(H,49,55)(H,50,58)(H,51,54)(H,52,57)"	CC(C)CC1C(=O)NCCC(C(=O)NC(C(=O)NC(NC1=O)CC2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)OC(C)(C)C)NC(=O)OC(C)(C)C	FIFDQVYEDNVCBA-UHFFFAOYSA-N
DG60560	Benzyl 3-(benzyloxycarbonylamino)-4-[(1-cyclohexyl-2-methoxy-2-oxo-ethyl)amino]-4-oxo-butanoate	495917	NSC672676; CHEMBL1989461; NSC-672676; NCI60_025796; Benzyl 3-(((benzyloxy)carbonyl)amino)-4-((1-cyclohexyl-2-methoxy-2-oxoethyl)amino)-4-oxobutanoate; benzyl 3-(benzyloxycarbonylamino)-4-[(1-cyclohexyl-2-methoxy-2-oxo-ethyl)amino]-4-oxo-butanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672676	.	.	.	.	510.6	C28H34N2O7	120	741	4.5	37	2	7	14	"InChI=1S/C28H34N2O7/c1-35-27(33)25(22-15-9-4-10-16-22)30-26(32)23(17-24(31)36-18-20-11-5-2-6-12-20)29-28(34)37-19-21-13-7-3-8-14-21/h2-3,5-8,11-14,22-23,25H,4,9-10,15-19H2,1H3,(H,29,34)(H,30,32)"	COC(=O)C(C1CCCCC1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3	CMWCUINOOXKXIL-UHFFFAOYSA-N
DG60561	"4-Chloro-5,7-dinitro-1-oxido-2-(2,4,6-trinitrophenyl)quinazolin-1-ium"	496006	"NSC676534; CHEMBL1996132; 4-chloro-5,7-dinitro-1-oxido-2-(2,4,6-trinitrophenyl)quinazolin-1-ium; NSC-676534; NCI60_027094; 4-Chloro-5,4,6-trinitrophenyl)quinazoline 1-oxide; 4-Chloro-5,7-dinitro-2-(2,4,6-trinitrophenyl)quinazoline 1-oxide; 4-Chloro-5,7-bis(hydroxy(oxido)amino)-2-(2,4,6-tris(hydroxy(oxido)amino)phenyl)-1,2-dihydroquinazoline 1-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676534	.	.	.	.	481.67	C14H4ClN7O11	267	812	2.3	33	0	12	1	InChI=1S/C14H4ClN7O11/c15-13-11-7(1-5(18(24)25)2-8(11)20(28)29)17(23)14(16-13)12-9(21(30)31)3-6(19(26)27)4-10(12)22(32)33/h1-4H	C1=C(C=C(C2=C1[N+](=C(N=C2Cl)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]	WBTJQXXIBIXQKG-UHFFFAOYSA-N
DG60562	"1-(4-Hydroxy-2,5,11-trimethyl-6H-pyrido[3,2-b]carbazol-9-yl)-1-propanone"	496094	"NSC679262; CHEMBL1980668; NSC-679262; NCI60_028371; 1-(4-Hydroxy-2,5,11-trimethyl-6H-pyrido[3,2-b]carbazol-9-yl)-1-propanone; 1-(4-hydroxy-2,5,11-trimethyl-6H-pyrido[3,2-b]carbazol-9-yl)propan-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679262	.	.	.	.	332.4	C21H20N2O2	62	613	4.3	25	2	3	2	"InChI=1S/C21H20N2O2/c1-5-16(24)13-6-7-15-14(9-13)18-11(3)21-19(12(4)20(18)23-15)17(25)8-10(2)22-21/h6-9,23H,5H2,1-4H3,(H,22,25)"	CCC(=O)C1=CC2=C(C=C1)NC3=C(C4=C(C(=C23)C)NC(=CC4=O)C)C	DQVPSIFKNRRLQU-UHFFFAOYSA-N
DG60563	NSC681462	496183	"8-[[3-[(10,10-Dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl)methyl]phenyl]methyl]-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene; NSC681462; [3-[[dimethyl(2-pyridyl)[ ]yl]methyl]phenyl]methyl-dimethyl-(2-pyridyl)[ ]; 6,8-Methanoisoquinoline, 5,5'-[1,3-phenylenebis(methylene)]bis[5,6,7,8-tetrahydro-7,7-dimethyl-3-(2-pyridinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681462	.	.	.	.	602.8	C42H42N4	51.6	1000	8.2	46	0	4	6	"InChI=1S/C42H42N4/c1-41(2)33-21-35(41)31-23-45-39(37-12-5-7-14-43-37)19-27(31)29(33)17-25-10-9-11-26(16-25)18-30-28-20-40(38-13-6-8-15-44-38)46-24-32(28)36-22-34(30)42(36,3)4/h5-16,19-20,23-24,29-30,33-36H,17-18,21-22H2,1-4H3"	CC1(C2CC1C3=CN=C(C=C3C2CC4=CC(=CC=C4)CC5C6CC(C6(C)C)C7=CN=C(C=C57)C8=CC=CC=N8)C9=CC=CC=N9)C	BKBCQMDTIWHCSA-UHFFFAOYSA-N
DG60564	NSC681463	496184	"8-[[2-[(10,10-Dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl)methyl]phenyl]methyl]-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene; NSC681463; [2-[[dimethyl(2-pyridyl)[ ]yl]methyl]phenyl]methyl-dimethyl-(2-pyridyl)[ ]; 6,8-Methanoisoquinoline, 5,5'-[1,2-phenylenebis(methylene)]bis[5,6,7,8-tetrahydro-7,7-dimethyl-3-(2-pyridinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681463	.	.	.	.	602.8	C42H42N4	51.6	1000	8.2	46	0	4	6	"InChI=1S/C42H42N4/c1-41(2)33-21-35(41)31-23-45-39(37-13-7-9-15-43-37)19-27(31)29(33)17-25-11-5-6-12-26(25)18-30-28-20-40(38-14-8-10-16-44-38)46-24-32(28)36-22-34(30)42(36,3)4/h5-16,19-20,23-24,29-30,33-36H,17-18,21-22H2,1-4H3"	CC1(C2CC1C3=CN=C(C=C3C2CC4=CC=CC=C4CC5C6CC(C6(C)C)C7=CN=C(C=C57)C8=CC=CC=N8)C9=CC=CC=N9)C	ZGRRJKFUEWVBDQ-UHFFFAOYSA-N
DG60565	"9H-Purine, 2-((4-butylphenyl)amino)-"	496196	"9H-Purine, 2-((4-butylphenyl)amino)-; NSC681703; CHEMBL278248; 104715-67-5; 2-(p-n-Butylanilino)purine; 2-((4-Butylphenyl)amino)-9H-purine; BRN 5569465; DTXSID40146673; BDBM50025597; N-(4-Butylphenyl)-9H-purin-2-amine; NSC-681703; NCI60_029194; (4-Butyl-phenyl)-(9H-purin-2-yl)-amine; N-(4-Butylphenyl)-N-(9H-purin-2-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681703	.	.	.	.	267.33	C15H17N5	66.5	290	3.9	20	2	4	5	"InChI=1S/C15H17N5/c1-2-3-4-11-5-7-12(8-6-11)19-15-16-9-13-14(20-15)18-10-17-13/h5-10H,2-4H2,1H3,(H2,16,17,18,19,20)"	CCCCC1=CC=C(C=C1)NC2=NC=C3C(=N2)N=CN3	FAYSZBMSWLHYEM-UHFFFAOYSA-N
DG60566	"4-Amino-4-ethyl-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione"	496212	"NSC682298; 4-Amino-4-ethyl-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; amino(ethyl)[ ]dione; CHEMBL1188190; NSC619230; NSC-619230; NSC-682298; NCI60_029434; 20-Amino-20-deoxy-20(RS)-camptothecin; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline- 3,14(4H,12H)-dione, 4-amino-4-ethyl-, (+-); 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline- 3,14(4H,12H)-dione, 4-amino-4-ethyl-, 4-(RS)monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619230	.	.	.	.	347.4	C20H17N3O3	85.5	743	0.7	26	1	5	1	"InChI=1S/C20H17N3O3/c1-2-20(21)14-8-16-17-12(7-11-5-3-4-6-15(11)22-17)9-23(16)18(24)13(14)10-26-19(20)25/h3-8H,2,9-10,21H2,1H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)N	QRIADWXXXCEJCX-UHFFFAOYSA-N
DG60567	NSC683481	496252	"2,8-Epoxy-6,4-(epoxymethano)-1H,8H-benzofuro[2,3-j][2]benzopyran-2,7b,11a(3H,7aH)-triol, 15-(3-furanyl)-4,4a,5,6,9-pentahydro-4,9,9,11-tetramethyl-6-(1-methylethyl)-; NSC683481; 2,8-Epoxy-6,4-(epoxymethano)-1H,8H-benzofuro[2,3-j][2]benzopyran-2,7b,11a(3H,7aH)-triol, 15-(3-furanyl)-4,4a,5,6,9-pentahydro-4,9,9,11-tetramethyl-6-(1-methylethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683481	.	.	.	.	488.6	C27H36O8	111	1010	1.7	35	3	8	2	"InChI=1S/C27H36O8/c1-14(2)25-10-17-22(6,18(32-25)16-7-8-31-11-16)12-23(28)13-24(17)20(34-25)26(29)19(33-23)21(4,5)9-15(3)27(26,30)35-24/h7-9,11,14,17-20,28-30H,10,12-13H2,1-6H3"	CC1=CC(C2C3(C1(OC45C3OC6(CC4C(CC(C5)(O2)O)(C(O6)C7=COC=C7)C)C(C)C)O)O)(C)C	KZWNXTXHYLZATQ-UHFFFAOYSA-N
DG60568	NSC686336	496334	"4-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid 17-[3-(1H-benzoimidazol-2-yl)-1-methyl-propyl]-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester; NSC686336; 4936-61-2; DTXSID60333265; [17-[3-(1H-benzimidazol-2-yl)-1-methyl-propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate; 4-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid 17-[3-(1H-benzoimidazol-2-yl)-1-methyl-propyl]-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686336	.	.	.	.	807.2	C54H82N2O3	75.2	1520	15.4	59	2	4	10	"InChI=1S/C54H82N2O3/c1-33(11-21-49-55-47-9-7-8-10-48(47)56-49)41-17-19-44-40-16-14-36-32-38(24-28-52(36,4)46(40)26-30-53(41,44)5)59-50(58)22-12-34(2)42-18-20-43-39-15-13-35-31-37(57)23-27-51(35,3)45(39)25-29-54(42,43)6/h7-10,33-46,57H,11-32H2,1-6H3,(H,55,56)"	CC(CCC1=NC2=CC=CC=C2N1)C3CCC4C3(CCC5C4CCC6C5(CCC(C6)OC(=O)CCC(C)C7CCC8C7(CCC9C8CCC1C9(CCC(C1)O)C)C)C)C	FVFGIQLUIUFCAN-UHFFFAOYSA-N
DG60569	NSC686513	496347	"1-(Acetyloxy)-9-(((aminocarbonyl)oxy)methyl)-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-2-yl acetate; NSC686513; CHEMBL1984485; NSC-686513; NCI60_031203; [3-acetoxy-4-(carbamoyloxymethyl)-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl] acetate; 1-(Acetyloxy)-9-(((aminocarbonyl)oxy)methyl)-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-2-yl acetate; 1H-Pyrrolo[1,8-dione, 1,2-bis(acetyloxy)-9-[(aminocarbonyloxy)methyl]- 2,3-dihydro-7-methoxy-6-methyl-, racemic-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686513	.	.	.	.	420.4	C19H20N2O9	153	836	1.1	30	1	9	8	"InChI=1S/C19H20N2O9/c1-7-15(24)14-12(16(25)17(7)27-4)10(6-28-19(20)26)13-18(30-9(3)23)11(5-21(13)14)29-8(2)22/h11,18H,5-6H2,1-4H3,(H2,20,26)"	CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2COC(=O)N)OC(=O)C)OC(=O)C)OC	MRHZEXIWSNIANF-UHFFFAOYSA-N
DG60570	5-(Hydroxymethyl)-2-[6-[(1-methyl-2-phenyl-ethyl)amino]purin-9-yl]tetrahydrofuran-3-ol	496402	"NSC688537; CHEMBL1986293; NSC-688537; NCI60_031969; 9H-Purin-6-amine, 9-(3-deoxypentofuranosyl)-N-(1-methyl-2-phenylethyl)-; 5-(hydroxymethyl)-2-[6-[(1-methyl-2-phenyl-ethyl)amino]purin-9-yl]tetrahydrofuran-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688537	.	.	.	.	369.4	C19H23N5O3	105	478	1.6	27	3	7	6	"InChI=1S/C19H23N5O3/c1-12(7-13-5-3-2-4-6-13)23-17-16-18(21-10-20-17)24(11-22-16)19-15(26)8-14(9-25)27-19/h2-6,10-12,14-15,19,25-26H,7-9H2,1H3,(H,20,21,23)"	CC(CC1=CC=CC=C1)NC2=C3C(=NC=N2)N(C=N3)C4C(CC(O4)CO)O	BFXHWITVJAUCOT-UHFFFAOYSA-N
DG60571	3-(4-(2-((tert-Butyl(dimethyl)silyl)oxy)-4-oxocyclopentyl)butyl)-4-isopropylcyclohexanone	496447	NSC689227; CHEMBL1996108; NSC-689227; NCI60_032157; 3-(4-(2-((tert-Butyl(dimethyl)silyl)oxy)-4-oxocyclopentyl)butyl)-4-isopropylcyclohexanone; 3-[4-[2-[tert-butyl(dimethyl)silyl]oxy-4-oxo-cyclopentyl]butyl]-4-isopropyl-cyclohexanone; 3-Hydroxy-4-[4-[3-(4-isopropylcyclohexanony)butyl]]cyclo pentanone tert-butyldimethylsilyl ether	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689227	.	.	.	.	408.7	C24H44O3Si	43.4	547	.	28	0	3	9	"InChI=1S/C24H44O3Si/c1-17(2)22-13-12-20(25)14-18(22)10-8-9-11-19-15-21(26)16-23(19)27-28(6,7)24(3,4)5/h17-19,22-23H,8-16H2,1-7H3"	CC(C)C1CCC(=O)CC1CCCCC2CC(=O)CC2O[Si](C)(C)C(C)(C)C	YFMIIKKOFCPZSV-UHFFFAOYSA-N
DG60572	"4,6-dichloro-3a,7a-dihydro-3H-thieno[1,2]cyclopenta[3,5-b]oxazole-2,7-dione"	496451	"MLS002702390; SMR001565952; NSC689602; cid_496451; CHEMBL1732892; BDBM83200; 4,6-bis(chloranyl)-3a,7a-dihydro-3H-thieno[1,2]cyclopenta[3,5-b][1,3]oxazole-2,7-dione; 4,6-dichloro-3a,7a-dihydro-3H-thieno[[ ]:[ ]]cyclopenta[[ ]]oxazole-2,7-dione; 4,6-dichloro-3a,7a-dihydro-3H-thieno[1,2]cyclopenta[3,5-b][1,3]oxazole-2,7-dione; 4,6-dichloro-3a,7a-dihydro-3H-thieno[1,2]cyclopenta[3,5-b]oxazole-2,7-dione; 4,6-dichloro-3a,7a-dihydro-3H-thieno[1,2]cyclopenta[3,5-b]oxazole-2,7-quinone; 4,6-Dichloro-3a,7a-dihydro-2H-thieno[3',4':4,5]cyclopenta[1,2-d][1,3]oxazole-2,7(3H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689602	.	.	.	.	264.08	C8H3Cl2NO3S	83.6	353	2.5	15	1	4	0	"InChI=1S/C8H3Cl2NO3S/c9-6-1-2(7(10)15-6)4(12)5-3(1)11-8(13)14-5/h3,5H,(H,11,13)"	C12C(C(=O)C3=C(SC(=C31)Cl)Cl)OC(=O)N2	BYWUOXFHZWXCQT-UHFFFAOYSA-N
DG60573	NSC689712	496464	"N-[2-[(6-chloro-2-methoxy-acridin-9-yl)amino]ethyl]-2-(3,7,9-trimethyl-5-oxido-2,4,6,8-tetraoxo-pyrimido[5,4-g]pteridin-5-ium-1-yl)acetamide; NSC689712; CHEMBL1991416; NSC-689712; NCI60_032271; 1,3,7-Trimethyl-2,4,6,8-tetraoxo-9-[2-oxo-2-[[2-[(2-methoxy-6-chloroacridin-9-yl)amino]ethyl]amino]ethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[5,4-g]pteridine 5-oxide; N-(2-((6-Chloro-2-methoxy-9-acridinyl)amino)ethyl)-2-(5-hydroxy-3,7,9-trimethyl-2,4,6,8-tetraoxo-3,4,6,7,8,9-hexahydro-5.lambda.~5~-pyrimido[5,4-g]pteridin-1(2H)-yl)acetamide; N-[2-[(6-chloro-2-methoxy-acridin-9-yl)amino]ethyl]-2-(3,7,9-trimethyl-5-oxido-2,4,6,8-tetraoxo-pyrimido[5,4-g]pteridin-5-ium-1-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689712	.	.	.	.	648	C29H26ClN9O7	183	1250	1.1	46	2	10	7	"InChI=1S/C29H26ClN9O7/c1-35-24-22(26(41)36(2)28(35)43)39(45)23-25(34-24)38(29(44)37(3)27(23)42)13-20(40)31-9-10-32-21-16-7-5-14(30)11-19(16)33-18-8-6-15(46-4)12-17(18)21/h5-8,11-12H,9-10,13H2,1-4H3,(H,31,40)(H,32,33)"	CN1C2=C(C(=O)N(C1=O)C)[N+](=C3C(=N2)N(C(=O)N(C3=O)C)CC(=O)NCCNC4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC)[O-]	LFMBAQCARPEGEG-UHFFFAOYSA-N
DG60574	"3-[(2-Amino-4,5-dimethyl-3-furyl)sulfonyl]quinolin-2-amine 1-oxide"	496556	"NSC693806; CHEMBL1981554; NSC-693806; NCI60_033572; 3-[(2-Amino-4,5-dimethyl-3-furyl)sulfonyl]quinolin-2-amine 1-oxide; 3-[(2-amino-4,5-dimethyl-3-furyl)sulfonyl]-1-oxido-quinolin-1-ium-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693806	.	.	.	.	333.4	C15H15N3O4S	129	627	2.2	23	3	6	2	"InChI=1S/C15H15N3O4S/c1-8-9(2)22-15(17)13(8)23(20,21)12-7-10-5-3-4-6-11(10)18(19)14(12)16/h3-7,16,19H,17H2,1-2H3"	CC1=C(OC(=C1S(=O)(=O)C2=CC3=CC=CC=C3N(C2=N)O)N)C	HBJFCQIOKAHSEC-UHFFFAOYSA-N
DG60575	NSC697275	496677	"2-[4-Hydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol; NSC697275; 4939-89-3; Neuro_000491; DTXSID40333268; 2-[4-hydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxytetrahydropyran-2-yl)oxy]tetrahydropyran-2-yl]oxy-6-(hydroxymethyl)-2-(5'-tetramethylspiro[[ ]-2,2'-tetrahydropyran]yl)oxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol; Spirostan-3-yl 2-O-(6-deoxyhexopyranosyl)-4-O-(2,3-di-O-pentopyranosylhexopyranosyl)hexopyranoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697275	.	.	.	.	1151.3	C55H90O25	374	2090	-1.4	80	13	25	12	"InChI=1S/C55H90O25/c1-21-8-13-55(71-18-21)22(2)34-31(80-55)15-28-26-7-6-24-14-25(9-11-53(24,4)27(26)10-12-54(28,34)5)73-51-46(78-50-42(67)39(64)35(60)23(3)72-50)43(68)44(33(17-57)75-51)76-52-47(79-49-41(66)37(62)30(59)20-70-49)45(38(63)32(16-56)74-52)77-48-40(65)36(61)29(58)19-69-48/h21-52,56-68H,6-20H2,1-5H3"	CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(CO2)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)OC1	YYCFEJVBMMGRLX-UHFFFAOYSA-N
DG60576	"Methyl 3-(acetyloxy)-4,4,8,12,16-pentamethyl-15,17,19-trioxoandrost-11-ene-14-carboxylate"	496693	"Methyl 3-(acetyloxy)-4,4,8,12,16-pentamethyl-15,17,19-trioxoandrost-11-ene-14-carboxylate; 174232-42-9; methyl (9S,10R,13S)-3-acetyloxy-10-formyl-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate; Andrastin A; NSC697452; NSC 697452; methyl (9S,10R,13S)-3-acetoxy-10-formyl-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697452	.	.	.	.	486.6	C28H38O7	104	1060	3.8	35	0	7	5	"InChI=1S/C28H38O7/c1-15-13-19-25(6,28(23(33)34-8)22(32)16(2)21(31)26(15,28)7)11-9-18-24(4,5)20(35-17(3)30)10-12-27(18,19)14-29/h13-14,16,18-20H,9-12H2,1-8H3/t16 ,18 ,19-,20 ,25 ,26+,27+,28 /m0/s1"	CC1C(=O)[C@]2(C(=C[C@@H]3[C@]4(CCC(C(C4CCC3(C2(C1=O)C(=O)OC)C)(C)C)OC(=O)C)C=O)C)C	GRBXNADBNJGZRK-BCMOVVIDSA-N
DG60577	NSC697467	496694	2-[[1-[2-[3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxyacetyl]pyrrolidine-2-carbonyl]amino]-N'-[4-[(1-nitroacridin-9-yl)amino]butyl]pentanediamide; NSC697467; 2-({1-[2-(3-Acetylamino-2-benzyloxy-5-hydroxy-6-hydroxymethyl-tetrahydro-pyran-4-yloxy)-acetyl]-pyrrolidine-2-carbonyl}-amino)-pentanedioic acid 1-amide 5-{[4-(1-nitro-acridin-9-ylamino)-butyl]-amide}; 2-[[1-[2-[3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxyacetyl]pyrrolidine-2-carbonyl]amino]-N'-[4-[(1-nitroacridin-9-yl)amino]butyl]pentanediamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697467	.	.	.	.	886.9	C44H54N8O12	290	1580	1.8	64	7	14	20	"InChI=1S/C44H54N8O12/c1-26(54)48-39-41(40(57)34(23-53)64-44(39)63-24-27-11-3-2-4-12-27)62-25-36(56)51-22-10-17-33(51)43(59)50-31(42(45)58)18-19-35(55)46-20-7-8-21-47-38-28-13-5-6-14-29(28)49-30-15-9-16-32(37(30)38)52(60)61/h2-6,9,11-16,31,33-34,39-41,44,53,57H,7-8,10,17-25H2,1H3,(H2,45,58)(H,46,55)(H,47,49)(H,48,54)(H,50,59)"	CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)CO)O)OCC(=O)N3CCCC3C(=O)NC(CCC(=O)NCCCCNC4=C5C(=NC6=CC=CC=C64)C=CC=C5[N+](=O)[O-])C(=O)N	JXTKDWULFLGSMT-UHFFFAOYSA-N
DG60578	NSC697471	496695	2-[[1-[2-[3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxyacetyl]pyrrolidine-2-carbonyl]amino]-N'-[2-[2-[(1-nitroacridin-9-yl)amino]ethylamino]ethyl]pentanediamide; NSC697471; Neuro_000492; 2-({1-[2-(3-Acetylamino-2-benzyloxy-5-hydroxy-6-hydroxymethyl-tetrahydro-pyran-4-yloxy)-acetyl]-pyrrolidine-2-carbonyl}-amino)-pentanedioic acid 1-amide 5-({2-[2-(1-nitro-acridin-9-ylamino)-ethylamino]-ethyl}-amide); 2-[[1-[2-[3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxyacetyl]pyrrolidine-2-carbonyl]amino]-N'-[2-[2-[(1-nitroacridin-9-yl)amino]ethylamino]ethyl]pentanediamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697471	.	.	.	.	902	C44H55N9O12	302	1600	0.6	65	8	15	21	"InChI=1S/C44H55N9O12/c1-26(55)49-39-41(40(58)34(23-54)65-44(39)64-24-27-9-3-2-4-10-27)63-25-36(57)52-22-8-15-33(52)43(60)51-31(42(45)59)16-17-35(56)47-20-18-46-19-21-48-38-28-11-5-6-12-29(28)50-30-13-7-14-32(37(30)38)53(61)62/h2-7,9-14,31,33-34,39-41,44,46,54,58H,8,15-25H2,1H3,(H2,45,59)(H,47,56)(H,48,50)(H,49,55)(H,51,60)"	CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)CO)O)OCC(=O)N3CCCC3C(=O)NC(CCC(=O)NCCNCCNC4=C5C(=NC6=CC=CC=C64)C=CC=C5[N+](=O)[O-])C(=O)N	CECXCHSMIMKYPQ-UHFFFAOYSA-N
DG60579	"2-[(1,2,4a,5-Tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-5-phenylsulfanyl-1,4-benzoquinone"	496856	"NSC700502; 2-((1,2,4a,5-Tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl)methyl)-5-(phenylthio)benzo-1,4-quinone; 2-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-5-phenylsulfanyl-1,4-benzoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700502	.	.	.	.	420.6	C27H32O2S	59.4	813	7.1	30	0	3	4	"InChI=1S/C27H32O2S/c1-18-9-8-12-25-26(18,3)14-13-19(2)27(25,4)17-20-15-23(29)24(16-22(20)28)30-21-10-6-5-7-11-21/h5-7,9-11,15-16,19,25H,8,12-14,17H2,1-4H3"	CC1CCC2(C(C1(C)CC3=CC(=O)C(=CC3=O)SC4=CC=CC=C4)CCC=C2C)C	NTWJQJYCHGTDBQ-UHFFFAOYSA-N
DG60580	"2-[(1,2,4a,5-Tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-5-isobutylsulfanyl-1,4-benzoquinone"	496857	"NSC700503; 2-((1,2,4a,5-Tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl)methyl)-5-(isobutylthio)benzo-1,4-quinone; 2-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-5-isobutylsulfanyl-1,4-benzoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700503	.	.	.	.	400.6	C25H36O2S	59.4	757	6.9	28	0	3	5	"InChI=1S/C25H36O2S/c1-16(2)15-28-22-13-20(26)19(12-21(22)27)14-25(6)18(4)10-11-24(5)17(3)8-7-9-23(24)25/h8,12-13,16,18,23H,7,9-11,14-15H2,1-6H3"	CC1CCC2(C(C1(C)CC3=CC(=O)C(=CC3=O)SCC(C)C)CCC=C2C)C	JRHVFNUSNXLPEX-UHFFFAOYSA-N
DG60581	NSC700649	496860	"Pentopyranose, O--6-deoxyhexopyranosyl-(1-->3)-O-pentopyranosyl-(1-->4)-O-[pentopyranosyl-(1-->3)]-O--6-deoxyhexopyranosyl-(1-->2)-1-O-[3-[(3-O-hexopyranosylhexopyranosyl)oxy]-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-; NSC700649; Pentopyranose, O--6-deoxyhexopyranosyl-(1-->3)-O-pentopyranosyl-(1-->4)-O-[pentopyranosyl-(1-->3)]-O--6-deoxyhexopyranosyl-(1-->2)-1-O-[3-[(3-O-hexopyranosylhexopyranosyl)oxy]-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700649	.	.	.	.	1501.6	C69H112O35	551	2960	-4.9	104	20	35	18	"InChI=1S/C69H112O35/c1-25-37(77)42(82)45(85)58(94-25)99-51-32(76)23-92-57(47(51)87)98-50-26(2)95-60(49(89)53(50)101-56-44(84)38(78)30(74)21-91-56)102-54-39(79)31(75)22-93-62(54)104-63(90)69-15-13-64(3,4)17-28(69)27-9-10-36-65(5)18-29(73)55(66(6,24-72)35(65)11-12-68(36,8)67(27,7)14-16-69)103-61-48(88)52(41(81)34(20-71)97-61)100-59-46(86)43(83)40(80)33(19-70)96-59/h9,25-26,28-62,70-89H,10-24H2,1-8H3"	CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3OC4C(C(C(CO4)O)O)O)O)OC5C(C(COC5OC(=O)C67CCC(CC6C8=CCC9C(C8(CC7)C)(CCC1C9(CC(C(C1(C)CO)OC1C(C(C(C(O1)CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)(C)C)O)O)C)O)O)O)O	LMHKFUJAONTLDV-UHFFFAOYSA-N
DG60582	NSC700650	496861	"2-O-(6-Deoxy-4-O-(3-O-(6-deoxyhexopyranosyl)pentopyranosyl)-3-O-(3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl)hexopyranosyl)-1-O-(3-(hexopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-28-yl)pentopyranose; NSC700650; 2-O-(6-Deoxy-4-O-(3-O-(6-deoxyhexopyranosyl)pentopyranosyl)-3-O-(3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl)hexopyranosyl)-1-O-(3-(hexopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-28-yl)pentopyranose"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700650	.	.	.	.	1339.5	C63H102O30	472	2640	-3	93	17	30	16	"InChI=1S/C63H102O30/c1-25-35(70)38(73)40(75)51(85-25)89-45-31(69)21-82-50(42(45)77)88-44-26(2)86-53(43(78)46(44)90-55-48(79)63(81,23-66)24-84-55)91-47-36(71)30(68)20-83-54(47)93-56(80)62-15-13-57(3,4)17-28(62)27-9-10-34-58(5)18-29(67)49(92-52-41(76)39(74)37(72)32(19-64)87-52)59(6,22-65)33(58)11-12-61(34,8)60(27,7)14-16-62/h9,25-26,28-55,64-79,81H,10-24H2,1-8H3"	CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3OC4C(C(CO4)(CO)O)O)O)OC5C(C(COC5OC(=O)C67CCC(CC6C8=CCC9C(C8(CC7)C)(CCC1C9(CC(C(C1(C)CO)OC1C(C(C(C(O1)CO)O)O)O)O)C)C)(C)C)O)O)C)O)O)O)O	IRYCPRPAUYTFMP-UHFFFAOYSA-N
DG60583	"N1,N1-diethyl-N4-(7-methoxy-2-phenyl-4-quinolyl)pentane-1,4-diamine"	498042	"NSC13484; 5431-09-4; CHEMBL2009717; SCHEMBL17372436; DTXSID80333287; NCI60_000780; N1,N1-diethyl-N4-(7-methoxy-2-phenyl-4-quinolyl)pentane-1,4-diamine; Phosphoric acid compound with N~1~,N~1~-diethyl-N~4~-(7-methoxy-2-phenyl-4-quinolinyl)-1,4-pentanediamine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13484	.	.	.	.	391.5	C25H33N3O	37.4	449	5.7	29	1	4	10	"InChI=1S/C25H33N3O/c1-5-28(6-2)16-10-11-19(3)26-25-18-23(20-12-8-7-9-13-20)27-24-17-21(29-4)14-15-22(24)25/h7-9,12-15,17-19H,5-6,10-11,16H2,1-4H3,(H,26,27)"	CCN(CC)CCCC(C)NC1=CC(=NC2=C1C=CC(=C2)OC)C3=CC=CC=C3	BZGJTNMHBWLFNW-UHFFFAOYSA-N
DG60584	"6,9-dihydro-3H-purine-6-thiol; palladium(4+)"	498063	"6,9-Dihydro-3H-purine-6-thiol-; NSC70092; 6,9-dihydro-3H-purine-6-thiol; palladium(4+); Purine-6-thiol, chloropalladate(II) deriv., disodium salt, trihydrate; Palladate(2-), chlorotris(1,9-dihydro-6H-purine-6-thionato-N7,S6)-, disodium; Palladate(2-), chlorobis(1,9-dihydro-6H-purine-6-thionato-N(7), S(6))(1,7-dihydro-6H-purine-6-thionato-S)-, disodium; Palladate(2-), chlorobis(1,9-dihydro-6H-purine-6-thionato-N7, S6)(1,7-dihydro-6H-purine-6-thionato-S)-, disodium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	70092	.	.	.	.	569	C15H18N12PdS3	162	160	.	31	9	9	0	"InChI=1S/3C5H6N4S.Pd/c3*10-5-3-4(7-1-6-3)8-2-9-5;/h3*1-2,5,10H,(H,6,7)(H,8,9);"	C1=NC2=C(N1)C(N=CN2)S.C1=NC2=C(N1)C(N=CN2)S.C1=NC2=C(N1)C(N=CN2)S.[Pd]	MQBIYKPLCOTQLQ-UHFFFAOYSA-N
DG60585	"cis-(1,1-Cyclobutanedicarboxylato)diammineplatinum(II)"	498142	"Cbdca; NSC241240; 1,1-Cyclobutanedicarboxylate diammine platinum(II); cis-(1,1-Cyclobutanedicarboxylato)diammineplatinum(II); cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II); Platinum, diammine[1,1-cyclobutanedicarboxylato(2-)-O,O']-, (SP-4-2)-; Carboplatin (USAN); 7,7-diamino-[ ]spiro[3.5]nonane-5,9-dione; Platinum(II), (1, 1-cyclobutanedicarboxylato)diammine-, cis-; Platinum, {diammine[1,1-cyclobutanedicarboxylato(2-)-O,O']-,} (SP-4-2)-; Platinum, diamine(1, 1-cyclobutanedicarboxylato(2-)-O,O')-, (SP-4-2)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	241240	.	.	.	.	371.25	C6H12N2O4Pt-2	76.6	177	.	13	4	6	0	"InChI=1S/C6H8O4.2H2N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H2;/q;2*-1;"	C1CC(C1)(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt]	AGFVQCSHMSTFBV-UHFFFAOYSA-N
DG60586	"4-Methyl-1,1-diphenyl-1,2,3,4-tetrahydrobenzo(h)phosphinolinium hexafluorophosphate"	498151	"NSC245398; 54230-16-9; 4-methyl-1,1-diphenyl-1,2,3,4-tetrahydrobenzo(h)phosphinolinium hexafluorophosphate; 4-methyl-1,1-diphenyl-1,2,3,4-tetrahydrobenzo[h]phosphinolinium hexafluorophosphate; NSC 245398; CHEMBL1972879; NSC-245398; 4-methyl-1,1-diphenyl-3,4-dihydro-2H-benzo[h]phosphinolin-1-ium hexafluorophosphate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	245398	.	.	.	.	512.4	C26H24F6P2	0	531	.	34	0	7	2	"InChI=1S/C26H24P.F6P/c1-20-18-19-27(22-11-4-2-5-12-22,23-13-6-3-7-14-23)26-24(20)17-16-21-10-8-9-15-25(21)26;1-7(2,3,4,5)6/h2-17,20H,18-19H2,1H3;/q+1;-1"	CC1CC[P+](C2=C1C=CC3=CC=CC=C32)(C4=CC=CC=C4)C5=CC=CC=C5.F[P-](F)(F)(F)(F)F	LVIVKPZSJGBMDL-UHFFFAOYSA-N
DG60587	2-Bromoethyl(triphenyl)phosphonium	498160	"NSC264077; bromoethyl-triphenyl-phosphine; SCHEMBL6665610; CHEMBL2007842; 2-bromoethyl(triphenyl)phosphonium; (2-Bromoethyl)(triphenyl)phosphorane; ZINC73386462; ZINC81195071; Phosphonium, (2-bromoethyl)triphenyl-; NCI60_002115"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	264077	.	.	.	.	370.2	C20H19BrP+	0	266	5.4	22	0	0	5	"InChI=1S/C20H19BrP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2/q+1"	C1=CC=C(C=C1)[P+](CCBr)(C2=CC=CC=C2)C3=CC=CC=C3	HOJNLEGVXFKSJI-UHFFFAOYSA-N
DG60588	2-Isoindolin-2-ylethyl(triphenyl)phosphonium	498171	"NSC281625; CHEMBL2009242; ZINC104195275; NCI60_002296; 2-isoindolin-2-ylethyl(triphenyl)phosphonium; 2-(2-(Triphenylphosphoranyl)ethyl)isoindoline; Phosphonium, [2-(1,3-dihydro-2H-isoindol-2-yl)ethyl]triphenyl-; Phosphonium, {[2-(1,3-dihydro-2H-isoindol-2-yl)ethyl]triphenyl-,} bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281625	.	.	.	.	408.5	C28H27NP+	3.2	455	5.7	30	0	1	6	"InChI=1S/C28H27NP/c1-4-14-26(15-5-1)30(27-16-6-2-7-17-27,28-18-8-3-9-19-28)21-20-29-22-24-12-10-11-13-25(24)23-29/h1-19H,20-23H2/q+1"	C1C2=CC=CC=C2CN1CC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5	FAIHOIRTFIQCJT-UHFFFAOYSA-N
DG60589	[Aminomethyl(dimethyl)silyl]methanamine; dichloroplatinum	498227	"Silaplatin; [aminomethyl(dimethyl)silyl]methanamine; dichloroplatinum; SCHEMBL9814795; NSC603577; Platinum, {dichloro[dimethylsilylenebis(methanamine)]-,} (SP-4-2); Platinum, dichloro[dimethylsilylenebis(methanamine)]-, (SP-4-2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603577	.	.	.	.	384.24	C4H14Cl2N2PtSi	52	50.4	.	10	2	2	2	"InChI=1S/C4H14N2Si.2ClH.Pt/c1-7(2,3-5)4-6;;;/h3-6H2,1-2H3;2*1H;/q;;;+2/p-2"	C[Si](C)(CN)CN.Cl[Pt]Cl	VMIKAVWPAWKUCW-UHFFFAOYSA-L
DG60590	"Dichloro-bis[4-(trifluoromethyl)phenyl]stannane; 1,10-phenanthroline"	498233	"1,10-Phenanthroline & tin complex with 4-(trifluoromethyl)benzene; dichloro-bis[4-(trifluoromethyl)phenyl]stannane; 1,10-phenanthroline; NSC608463; Tin, {dichloro[1,10-phenanthroline-N(1),N(10)]} {bis[4-(trifluoromethyl)phenyl]-}; Tin, dichloro[1,10-phenanthroline-N(1),N(10)] bis[4-(trifluoromethyl)phenyl]-; 4Lambda~5~,6lambda~5~,5lambda~2~-[1,3,2]diazastannolo[1,5,4,3-lmn][1,10]phenanthroline & (trifluoromethyl)benzene dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	608463	.	.	.	.	660	C26H16Cl2F6N2Sn	25.8	540	.	37	0	8	2	"InChI=1S/C12H8N2.2C7H4F3.2ClH.Sn/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*8-7(9,10)6-4-2-1-3-5-6;;;/h1-8H;2*2-5H;2*1H;/q;;;;;+2/p-2"	C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC(=CC=C1C(F)(F)F)[Sn](C2=CC=C(C=C2)C(F)(F)F)(Cl)Cl	WVTWLBZBOVJVNR-UHFFFAOYSA-L
DG60591	Cyclopentane; dichloro(dichloroferriooxy)iron; dichloroiron	498236	NSC608972; cyclopentane; dichloro(dichloroferriooxy)iron; dichloroiron	.	.	Investigative Drug(s)	Investigative	Small molecular drug	608972	.	.	.	.	528.4	C10H12Cl6Fe3O	1	26	.	20	1	1	0	InChI=1S/2C5H5.6ClH.3Fe.H2O/c2*1-2-4-5-3-1;;;;;;;;;;/h2*1-5H;6*1H;;;;1H2/q;;;;;;;;3*+2;/p-6	[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.O.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl	HVDOCXMFXUNKIQ-UHFFFAOYSA-H
DG60592	Cyclopentane; 3-cyclopentylpropanoic acid; dichloroiron	498239	NSC608974; cyclopentane; 3-cyclopentylpropanoic acid; dichloroiron	.	.	Investigative Drug(s)	Investigative	Small molecular drug	608974	.	.	.	.	455.7	C13H14Cl4Fe2O2	37.3	129	.	21	1	2	3	"InChI=1S/C8H9O2.C5H5.4ClH.2Fe/c9-8(10)6-5-7-3-1-2-4-7;1-2-4-5-3-1;;;;;;/h1-4H,5-6H2,(H,9,10);1-5H;4*1H;;/q;;;;;;2*+2/p-4"	[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)CCC(=O)O.Cl[Fe]Cl.Cl[Fe]Cl	PCRJFWQUJPNTMG-UHFFFAOYSA-J
DG60593	"[(2S,3R,4S,5S)-3,4-dihydroxy-5-(4-imino-2-oxo-1,3,5-triazin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate"	498278	"NSC619378; 1,3,5-Triazin-2(1H)-one, 3,4-dihydro-4-imino-1-(5-O-phosphono-.beta.-L-ribofuranosyl)-; [(2S,3R,4S,5S)-3,4-dihydroxy-5-(4-imino-2-oxo-1,3,5-triazin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619378	.	.	.	.	324.18	C8H13N4O8P	188	532	-3.8	21	5	8	4	"InChI=1S/C8H13N4O8P/c9-7-10-2-12(8(15)11-7)6-5(14)4(13)3(20-6)1-19-21(16,17)18/h2-6,13-14H,1H2,(H2,9,11,15)(H2,16,17,18)/t3-,4-,5-,6-/m0/s1"	C1=NC(=NC(=O)N1[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O)N	WODABQYEPQRZOS-BXKVDMCESA-N
DG60594	Chloro-[(1-nitrocyclohexyl)methyl]mercury	498301	NSC623650; chloro-[(1-nitrocyclohexyl)methyl]mercury; Chloro((1-(hydroxy(oxido)amino)cyclohexyl)methyl)mercury	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623650	.	.	.	.	378.22	C7H12ClHgNO2	45.8	165	.	12	0	2	1	InChI=1S/C7H12NO2.ClH.Hg/c1-7(8(9)10)5-3-2-4-6-7;;/h1-6H2;1H;/q;;+1/p-1	C1CCC(CC1)(C[Hg]Cl)[N+](=O)[O-]	RSOCRNFLBORELO-UHFFFAOYSA-M
DG60595	"Mercury, chloro[[4-(1,1-dimethylethyl)-1-nitrocyclohexyl]methyl]-"	498302	"NSC623654; (4-tert-butyl-1-nitro-cyclohexyl)methyl-chloro-mercury; Mercury, chloro[[4-(1,1-dimethylethyl)-1-nitrocyclohexyl]methyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623654	.	.	.	.	434.33	C11H20ClHgNO2	45.8	252	.	16	0	2	2	"InChI=1S/C11H20NO2.ClH.Hg/c1-10(2,3)9-5-7-11(4,8-6-9)12(13)14;;/h9H,4-8H2,1-3H3;1H;/q;;+1/p-1"	CC(C)(C)C1CCC(CC1)(C[Hg]Cl)[N+](=O)[O-]	CIHYVIZLWKVQIU-UHFFFAOYSA-M
DG60596	(Aminomethyl-ethyl-methyl-silyl)methanamine; tetrachloroplatinum	498319	"NSC625298; Methanamine, (ethylmethylsilylene)bis-, compd. with tetrachloroplatinum (1:1); (aminomethyl-ethyl-methyl-silyl)methanamine; tetrachloroplatinum"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625298	.	.	.	.	469.2	C5H16Cl4N2PtSi	52	80.6	.	13	2	2	3	"InChI=1S/C5H16N2Si.4ClH.Pt/c1-3-8(2,4-6)5-7;;;;;/h3-7H2,1-2H3;4*1H;/q;;;;;+4/p-4"	CC[Si](C)(CN)CN.Cl[Pt](Cl)(Cl)Cl	KVUDTMHUNBYQNC-UHFFFAOYSA-J
DG60597	(Aminomethyl-ethyl-methyl-silyl)methanamine; dichloroplatinum	498321	"NSC625299; Methanamine, (ethylmethylsilylene)bis-, compd. with dichloroplatinum (1:1); (aminomethyl-ethyl-methyl-silyl)methanamine; dichloroplatinum"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625299	.	.	.	.	398.27	C5H16Cl2N2PtSi	52	64.2	.	11	2	2	3	"InChI=1S/C5H16N2Si.2ClH.Pt/c1-3-8(2,4-6)5-7;;;/h3-7H2,1-2H3;2*1H;/q;;;+2/p-2"	CC[Si](C)(CN)CN.Cl[Pt]Cl	OLPVASLMKQCEMA-UHFFFAOYSA-L
DG60598	[2-[(Z)-[2-(2-furyl)-2-oxo-ethylidene]amino]phenyl]sulfanyl-[2-[(E)-[2-(2-furyl)-2-oxo-ethylidene]amino]phenyl]sulfanyl-cobalt	498366	NSC626854; [2-[(Z)-[2-(2-furyl)-2-oxo-ethylidene]amino]phenyl]sulfanyl-[2-[(E)-[2-(2-furyl)-2-oxo-ethylidene]amino]phenyl]sulfanyl-cobalt	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626854	.	.	.	.	519.5	C24H16CoN2O4S2	87.1	623	.	33	0	8	8	"InChI=1S/2C12H9NO2S.Co/c2*14-10(11-5-3-7-15-11)8-13-9-4-1-2-6-12(9)16;/h2*1-8,16H;/q;;+2/p-2"	C1=CC=C(C(=C1)N=CC(=O)C2=CC=CO2)[S-].C1=CC=C(C(=C1)N=CC(=O)C2=CC=CO2)[S-].[Co+2]	MVWOINUNMOWMAM-UHFFFAOYSA-L
DG60599	"2,3-Dimethoxyindolo[2,1-a]isoquinolin-7-ium-12-one"	498408	"Orange sulfate; NSC627787; Neuro_000263; 2,3-dimethoxyindolo[2,1-a]isoquinolin-7-ium-12-one; CHEMBL2008563; NCI60_008931; {2,3-Dimethoxy-12,12a-dihydro-12-oxodibenzo[b,g]} indoloisoquinolinium sulfate; 2,3-Dimethoxy-12,12a-dihydro-12-oxodibenzo[b,g] indoloisoquinolinium sulfate; Sulfuric acid compound with 2,3-dimethoxy-12H-7lambda~5~-indolo[2,1-a]isoquinolin-12-one (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627787	.	.	.	.	292.3	C18H14NO3+	39.4	440	3.7	22	0	3	2	"InChI=1S/C18H14NO3/c1-21-15-9-11-7-8-19-14-6-4-3-5-12(14)18(20)17(19)13(11)10-16(15)22-2/h3-10H,1-2H3/q+1"	COC1=C(C=C2C(=C1)C=C[N+]3=C2C(=O)C4=CC=CC=C43)OC	QDIBUWVKVQIARU-UHFFFAOYSA-N
DG60600	"Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium"	498418	"NSC628133; 62217-34-9; SCHEMBL3010341; CHEMBL1991202; DTXSID80333308; FT-0606554; Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium; 1,3-benzodithiol-2-yl(triphenyl)phosphonium tetrafluoroborate; Benzo[d][1,3]dithiol-2-yltriphenylphosphonium tetrafluoroborate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628133	.	.	.	.	502.3	C25H20BF4PS2	50.6	450	.	33	0	7	4	"InChI=1S/C25H20PS2.BF4/c1-4-12-20(13-5-1)26(21-14-6-2-7-15-21,22-16-8-3-9-17-22)25-27-23-18-10-11-19-24(23)28-25;2-1(3,4)5/h1-19,25H;/q+1;-1"	[B-](F)(F)(F)F.C1=CC=C(C=C1)[P+](C2SC3=CC=CC=C3S2)(C4=CC=CC=C4)C5=CC=CC=C5	KHYBVAYYVWUOAN-UHFFFAOYSA-N
DG60601	"1-Tert-butyl-1,2,4-triazole; tetrachlororuthenium(1-)"	498452	"NSC630124; 1-tert-butyl-1,2,4-triazole; tetrachlororuthenium(1-); 1-(t-Butyl)(1,2,4)triazolium-trans-tetrachlorobis-1- (t-butyl)(1, 2,4)triazoleruthenate(III)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630124	.	.	.	.	619.4	C18H34Cl4N9Ru	94	209	.	32	1	6	3	"InChI=1S/3C6H11N3.4ClH.Ru/c3*1-6(2,3)9-5-7-4-8-9;;;;;/h3*4-5H,1-3H3;4*1H;/q;;;;;;;+3/p-3"	CC(C)(C)N1C=NC=N1.CC(C)(C)N1C=NC=N1.CC(C)(C)[N+]1=CN=CN1.Cl[Ru-](Cl)(Cl)Cl	UQDYSGLLLOYZPB-UHFFFAOYSA-K
DG60602	5-tert-butyl-1H-pyrazole; trichlororuthenium	498460	5-tert-butyl-1H-pyrazole; trichlororuthenium; NSC630128; Trichlorotris-3-(t-butyl)pyrazoleruthenium(III)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630128	.	.	.	.	580	C21H36Cl3N6Ru	86	102	.	31	3	3	3	"InChI=1S/3C7H12N2.3ClH.Ru/c3*1-7(2,3)6-4-5-8-9-6;;;;/h3*4-5H,1-3H3,(H,8,9);3*1H;/q;;;;;;+3/p-3"	CC(C)(C)C1=CC=NN1.CC(C)(C)C1=CC=NN1.CC(C)(C)C1=CC=NN1.Cl[Ru](Cl)Cl	VFQZBTRTQGMLSR-UHFFFAOYSA-K
DG60603	NSC630734	498529	"Acetonitrile; triphenylphosphane; triphenyl-[2,3,4,5-tetrakis(methoxycarbonyl)-1$l^{3}-iridacyclopenta-2,4-dien-1-yl]phosphonium; tetrafluoroborate; NSC630734; acetonitrile; triphenylphosphane; triphenyl-[2,3,4,5-tetrakis(methoxycarbonyl)-1$l^{3}-iridacyclopenta-2,4-dien-1-yl]phosphonium; tetrafluoroborate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630734	.	.	.	.	1170.9	C52H49BF4IrN2O8P2-2	153	1030	.	70	0	17	14	"InChI=1S/2C18H15P.C12H12O8.2C2H3N.BF4.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-17-9(13)5-7(11(15)19-3)8(12(16)20-4)6-10(14)18-2;2*1-2-3;2-1(3,4)5;/h2*1-15H;1-4H3;2*1H3;;/q;;-2;;;-1;/p+1"	[B-](F)(F)(F)F.CC#N.CC#N.COC(=O)[C-]=C(C(=[C-]C(=O)OC)C(=O)OC)C(=O)OC.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ir]	RGFOTFVQNHOFQG-UHFFFAOYSA-O
DG60604	"Ammonia; dichloroplatinum; 2-(3,4-dimethoxyphenyl)ethanamine"	498557	"NSC631304; ammonia; dichloroplatinum; 2-(3,4-dimethoxyphenyl)ethanamine; Cis-Amminedichloro[2-(3,4-dimethoxyphenyl)ethylamine] platinum(II); {Cis-Amminedichloro[2-(3,4-dimethoxyphenyl)ethylamine]} platinum(II)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631304	.	.	.	.	464.2	C10H18Cl2N2O2Pt	45.5	144	.	17	2	4	4	"InChI=1S/C10H15NO2.2ClH.H3N.Pt/c1-12-9-4-3-8(5-6-11)7-10(9)13-2;;;;/h3-4,7H,5-6,11H2,1-2H3;2*1H;1H3;/q;;;;+2/p-2"	COC1=C(C=C(C=C1)CCN)OC.N.Cl[Pt]Cl	KPBZFSZVQLFNSH-UHFFFAOYSA-L
DG60605	Dichloroplatinum; 2-(4-methoxyphenyl)ethanamine	498558	dichloroplatinum; 2-(4-methoxyphenyl)ethanamine; NSC631305; Cis-Dichlorobis(4-methoxyphenethylamine)platinum(II)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631305	.	.	.	.	568.4	C18H26Cl2N2O2Pt	70.5	101	.	25	2	4	6	"InChI=1S/2C9H13NO.2ClH.Pt/c2*1-11-9-4-2-8(3-5-9)6-7-10;;;/h2*2-5H,6-7,10H2,1H3;2*1H;/q;;;;+2/p-2"	COC1=CC=C(C=C1)CCN.COC1=CC=C(C=C1)CCN.Cl[Pt]Cl	IHPDIPYVEZBZOG-UHFFFAOYSA-L
DG60606	Ammonia; dichloroplatinum; 2-(4-methoxyphenyl)ethanamine	498559	NSC631306; ammonia; dichloroplatinum; 2-(4-methoxyphenyl)ethanamine; Cis-Amminedichloro(4-methoxyphenethylamine)platinum(II)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631306	.	.	.	.	434.22	C9H16Cl2N2OPt	36.2	101	.	15	2	3	3	"InChI=1S/C9H13NO.2ClH.H3N.Pt/c1-11-9-4-2-8(3-5-9)6-7-10;;;;/h2-5H,6-7,10H2,1H3;2*1H;1H3;/q;;;;+2/p-2"	COC1=CC=C(C=C1)CCN.N.Cl[Pt]Cl	JZOVDKJFVNGGLE-UHFFFAOYSA-L
DG60607	NSC631459	498575	"3,3'-Diphenylspiro[5-oxa-3-azonia-4$l^{4}-cobaltabicyclo[4.4.0]deca-1(10),2,6,8-tetraene-4,4'-5-oxa-3-azonia-4$l^{4}-cobaltabicyclo[4.4.0]deca-1(6),2,7,9-tetraene]-8,8'-disulfonic acid; NSC631459; Bis(4-sulfosalicylideneaniline)cobalt(II); 3,3'-diphenylspiro[5-oxa-3-azonia-4$l^{4}-cobaltabicyclo[4.4.0]deca-1(10),2,6,8-tetraene-4,4'-5-oxa-3-azonia-4$l^{4}-cobaltabicyclo[4.4.0]deca-1(6),2,7,9-tetraene]-8,8'-disulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631459	.	.	.	.	613.5	C26H22CoN2O8S2	191	904	.	39	4	10	4	"InChI=1S/2C13H11NO4S.Co/c2*15-13-8-12(19(16,17)18)7-6-10(13)9-14-11-4-2-1-3-5-11;/h2*1-9,15H,(H,16,17,18);"	C1=CC=C(C=C1)N=CC2=C(C=C(C=C2)S(=O)(=O)O)O.C1=CC=C(C=C1)N=CC2=C(C=C(C=C2)S(=O)(=O)O)O.[Co]	IFYORFPIUQBSNZ-UHFFFAOYSA-N
DG60608	"(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-(4-methoxyphenyl)mercury"	498587	"NSC631944; (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-(4-methoxyphenyl)mercury; Mercury, (5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)(4-methoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631944	.	.	.	.	436.79	C11H9FHgN2O3	58.6	381	.	18	1	4	3	"InChI=1S/C7H7O.C4H3FN2O2.Hg/c1-8-7-5-3-2-4-6-7;5-2-1-6-4(9)7-3(2)8;/h3-6H,1H3;1H,(H2,6,7,8,9);/q;;+1/p-1"	COC1=CC=C(C=C1)[Hg]N2C(=O)C(=CNC2=O)F	LSDVVNWHWXGVLP-UHFFFAOYSA-M
DG60609	Dichloroplatinum; methylsulfinylmethane; quinoline	498592	"NSC632790; dichloroplatinum; methylsulfinylmethane; quinoline; Platinum, {dichloro(quinoline-N)[sulfinylbis(methane)-S]-,} (SP-4-1); Platinum, dichloro(quinoline-N)[sulfinylbis(methane)-S]-, (SP-4-1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632790	.	.	.	.	473.3	C11H13Cl2NOPtS	49.2	143	.	17	0	3	0	InChI=1S/C9H7N.C2H6OS.2ClH.Pt/c1-2-6-9-8(4-1)5-3-7-10-9;1-4(2)3;;;/h1-7H;1-2H3;2*1H;/q;;;;+2/p-2	CS(=O)C.C1=CC=C2C(=C1)C=CC=N2.Cl[Pt]Cl	XITSZIXRZJXNEJ-UHFFFAOYSA-L
DG60610	Dichloroplatinum; methylsulfinylbenzene; quinoline	498593	"NSC632791; dichloroplatinum; methylsulfinylbenzene; quinoline; Platinum, {dichloro[(methylsulfinyl)phenyl-S](quinoline-N)-,} (SP-4-1); Platinum, dichloro[(methylsulfinyl)phenyl-S](quinoline-N)-, (SP-4-1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632791	.	.	.	.	535.3	C16H15Cl2NOPtS	49.2	220	.	22	0	3	1	"InChI=1S/C9H7N.C7H8OS.2ClH.Pt/c1-2-6-9-8(4-1)5-3-7-10-9;1-9(8)7-5-3-2-4-6-7;;;/h1-7H;2-6H,1H3;2*1H;/q;;;;+2/p-2"	CS(=O)C1=CC=CC=C1.C1=CC=C2C(=C1)C=CC=N2.Cl[Pt]Cl	PLTLUKLZCOMGQQ-UHFFFAOYSA-L
DG60611	Acetonitrile; carbon monoxide; dibromoosmium; triphenylphosphane	498712	NSC634761; acetonitrile; carbon monoxide; dibromoosmium; triphenylphosphane; Cis-dibromocarbonylacetonitrile-bis-(triphenylphosphine) osmium(II)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634761	.	.	.	.	943.7	C39H33Br2NOOsP2	24.8	244	.	46	0	2	6	InChI=1S/2C18H15P.C2H3N.CO.2BrH.Os/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3;1-2;;;/h2*1-15H;1H3;;2*1H;/q;;;;;;+2/p-2	CC#N.[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Br[Os]Br	BPBUCMFLQQZNQK-UHFFFAOYSA-L
DG60612	Acetonitrile; 2-[dichloro-(2-oxocyclohexoxy)-$l^{4}-tellanyl]oxycyclohexanone	498869	"NSC636968; acetonitrile; 2-[dichloro-(2-oxocyclohexoxy)-$l^{4}-tellanyl]oxycyclohexanone; Cyclohexanone, 2,2'-[(dichloro-l4-tellanylidene)bis(oxy)]bis-, compd. with acetonitrile (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636968	.	.	.	.	465.8	C14H21Cl2NO4Te	76.4	359	.	22	0	5	4	"InChI=1S/C12H18Cl2O4Te.C2H3N/c13-19(14,17-11-7-3-1-5-9(11)15)18-12-8-4-2-6-10(12)16;1-2-3/h11-12H,1-8H2;1H3"	CC#N.C1CCC(=O)C(C1)O[Te](OC2CCCCC2=O)(Cl)Cl	MFDPVGAKLHYIHJ-UHFFFAOYSA-N
DG60613	Acetonitrile; 2-[dichloro-(2-hydroxycyclohexoxy)-$l^{4}-tellanyl]oxycyclohexanol	498871	"NSC636969; acetonitrile; 2-[dichloro-(2-hydroxycyclohexoxy)-$l^{4}-tellanyl]oxycyclohexanol; Cyclohexanol, 2,2'-[(dichloro-l4-tellanylidene)bis(oxy)]bis-, compd. with acetonitrile (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636969	.	.	.	.	469.9	C14H25Cl2NO4Te	82.7	296	.	22	2	5	4	"InChI=1S/C12H22Cl2O4Te.C2H3N/c13-19(14,17-11-7-3-1-5-9(11)15)18-12-8-4-2-6-10(12)16;1-2-3/h9-12,15-16H,1-8H2;1H3"	CC#N.C1CCC(C(C1)O)O[Te](OC2CCCCC2O)(Cl)Cl	JPNFVVLGBXXHQC-UHFFFAOYSA-N
DG60614	NSC640688	498944	"Gadolinium(3+);2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,24,33-tetracarboxylic acid; NSC640688; Tetracarboxyphthalocyanine-Gadolinium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640688	.	.	.	.	845.8	C36H16GdN8O8+	225	1560	.	53	4	12	4	"InChI=1S/C36H18N8O8.Gd/c45-33(46)13-1-5-17-21(9-13)29-37-25(17)41-30-22-10-14(34(47)48)2-6-18(22)27(38-30)43-32-24-12-16(36(51)52)4-8-20(24)28(40-32)44-31-23-11-15(35(49)50)3-7-19(23)26(39-31)42-29;/h1-12H,(H6,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);/q;+3/p-2"	C1=CC2=C(C=C1C(=O)O)C3=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=C(C=C(C=C8)C(=O)O)C(=N7)N=C2[N-]3)C(=O)O)C9=C4C=CC(=C9)C(=O)O.[Gd+3]	IIDJYSAYHDMMOZ-UHFFFAOYSA-L
DG60615	Ammonia; 2-(trichloro-$l^{4}-tellanyl)oxyhexanal	498945	"NSC641009; ammonia; 2-(trichloro-$l^{4}-tellanyl)oxyhexanal; 4-Butyl-2,2,2-trichloro-1,3,2lambda~6~-dioxatellurolane ammoniate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641009	.	.	.	.	366.1	C6H14Cl3NO2Te	27.3	137	.	13	1	3	5	"InChI=1S/C6H11Cl3O2Te.H3N/c1-2-3-4-6(5-10)11-12(7,8)9;/h5-6H,2-4H2,1H3;1H3"	CCCCC(C=O)O[Te](Cl)(Cl)Cl.N	ZYJOMODHIRPISD-UHFFFAOYSA-N
DG60616	Ammonia; 2-(trichloro-$l^{4}-tellanyl)oxyoctanal	498947	"NSC641010; ammonia; 2-(trichloro-$l^{4}-tellanyl)oxyoctanal; 2,2,2-Trichloro-4-hexyl-1,3,2lambda~6~-dioxatellurolane ammoniate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641010	.	.	.	.	394.2	C8H18Cl3NO2Te	27.3	161	.	15	1	3	7	"InChI=1S/C8H15Cl3O2Te.H3N/c1-2-3-4-5-6-8(7-12)13-14(9,10)11;/h7-8H,2-6H2,1H3;1H3"	CCCCCCC(C=O)O[Te](Cl)(Cl)Cl.N	PQTNTOFEQROIDK-UHFFFAOYSA-N
DG60617	Bis(4-(diphenylsulfonio)phenyl)sulfide bis(hexafluorophosphate)	498987	"74227-35-3; Bis(4-(diphenylsulfonio)phenyl)sulfide bis(hexafluorophosphate); [4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;dihexafluorophosphate; CHEMBL3392226; DTXSID00995700; NSC645238; FT-0696632; [4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenyl-sulfonium dihexafluorophosphate; [4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium,dihexafluorophosphate; [Sulfanediyldi(4,1-phenylene)]bis(diphenylsulfanium) bis[hexafluoridophosphate(1-)]; (Thiophenoxyphenyl)diphenylsulfonium hexafluorophosphate - bis(diphenylsulfonium)diphenylthioether h; Sulfonium, (thiodi-4,1-phenylene)bis[diphenyl-, compd. with phosphate(1-), hexafluoro- (1:2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645238	.	.	.	.	846.7	C36H28F12P2S3	27.3	638	.	53	0	15	8	"InChI=1S/C36H28S3.2F6P/c1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;2*1-7(2,3,4,5)6/h1-28H;;/q+2;2*-1"	C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=C(C=C3)SC4=CC=C(C=C4)[S+](C5=CC=CC=C5)C6=CC=CC=C6.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F	YLVPBWWLXQQGJS-UHFFFAOYSA-N
DG60618	Cyclopentyl(trimethyl)silane; dichloroniobium	498994	"NSC645758; cyclopentyl(trimethyl)silane; dichloroniobium; Niobium, dichloro-, compd. with 1-(trimethylsilyl)-1,2,3,4,5-cyclopentanepentayl (1:2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645758	.	.	.	.	438.4	C16H26Cl2NbSi2	0	88	.	21	0	0	2	"InChI=1S/2C8H13Si.2ClH.Nb/c2*1-9(2,3)8-6-4-5-7-8;;;/h2*4-7H,1-3H3;2*1H;/q;;;;+2/p-2"	C[Si](C)(C)[C]1[CH][CH][CH][CH]1.C[Si](C)(C)[C]1[CH][CH][CH][CH]1.Cl[Nb]Cl	CIQKSPJSPGIOQK-UHFFFAOYSA-L
DG60619	1-Ethylimidazole; tetrachloroplatinum	499016	1-ethylimidazole; tetrachloroplatinum; NSC647620; Trans-Dichloro-cis-dichlorobis(1-ethylimidazole)- platinum(IV)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647620	.	.	.	.	529.2	C10H16Cl4N4Pt	35.6	73.2	.	19	0	2	2	"InChI=1S/2C5H8N2.4ClH.Pt/c2*1-2-7-4-3-6-5-7;;;;;/h2*3-5H,2H2,1H3;4*1H;/q;;;;;;+4/p-4"	CCN1C=CN=C1.CCN1C=CN=C1.Cl[Pt](Cl)(Cl)Cl	RBOBUTXBMDFIMD-UHFFFAOYSA-J
DG60620	"Carbon monoxide; 8-ethoxy-1,3a,8,8a-tetrahydroazulene; iron; triphenylphosphane; hexafluorophosphate"	499036	"NSC649306; carbon monoxide; 8-ethoxy-1,3a,8,8a-tetrahydroazulene; iron; triphenylphosphane; hexafluorophosphate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649306	.	.	.	.	695.4	C32H31F6FeO3P2-	11.2	460	.	44	0	10	5	"InChI=1S/C18H15P.C12H16O.2CO.F6P.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-13-12-9-4-3-6-10-7-5-8-11(10)12;2*1-2;1-7(2,3,4,5)6;/h1-15H;3-7,9-12H,2,8H2,1H3;;;;/q;;;;-1;"	CCOC1[CH][CH][CH][CH]C2C1CC=C2.[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.F[P-](F)(F)(F)(F)F.[Fe]	LWTINXJSPYCUNZ-UHFFFAOYSA-N
DG60621	Carbon monoxide; cyclopentane; 1-ethoxy-3a-methyl-azulen-4-one; iron	499038	NSC649307; carbon monoxide; cyclopentane; 1-ethoxy-3a-methyl-azulen-4-one; iron	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649307	.	.	.	.	519.1	C23H19Fe2O7	31.3	271	.	32	0	7	2	"InChI=1S/C13H14O2.C5H5.5CO.2Fe/c1-3-15-11-8-9-13(2)10(11)6-4-5-7-12(13)14;1-2-4-5-3-1;5*1-2;;/h4-9H,3H2,1-2H3;1-5H;;;;;;;"	CCO[C]1[CH][CH]C2([C]1[CH][CH][CH][CH]C2=O)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Fe].[Fe]	DHZFWYUDLPRWMI-UHFFFAOYSA-N
DG60622	NSC650975	499053	"N-methyl-5-phenyl-N-(5-phenyl-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-yl)-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-amine;ditetrafluoroborate; NSC650975; CHEMBL3349174; N-methyl-5-phenyl-N-(5-phenylthiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-yl)thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-amine ditetrafluoroborate; Thiazolo[2,3-b]-1,3,4-thiadiazol-4-ium, 2,2'-(methylimino)bis[5-phenyl-, compd. with borate(1-), tetrafluoro- (1:2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650975	.	.	.	.	639.3	C21H15B2F8N5S4	150	571	.	40	0	17	4	"InChI=1S/C21H15N5S4.2BF4/c1-24(18-22-25-16(12-27-20(25)29-18)14-8-4-2-5-9-14)19-23-26-17(13-28-21(26)30-19)15-10-6-3-7-11-15;2*2-1(3,4)5/h2-13H,1H3;;/q+2;2*-1"	[B-](F)(F)(F)F.[B-](F)(F)(F)F.CN(C1=N[N+]2=C(S1)SC=C2C3=CC=CC=C3)C4=N[N+]5=C(S4)SC=C5C6=CC=CC=C6	YDHWPBSQEJOKJB-UHFFFAOYSA-N
DG60623	"1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)propan-2-amine"	499127	"NSC658455; NSC658456; 1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)propan-2-amine; N-(2-(3,5-Dimethoxyphenyl)-1-methylethyl)-N-(1-phenylethyl)amine hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658455	.	.	.	.	299.4	C19H25NO2	30.5	292	4	22	1	3	7	"InChI=1S/C19H25NO2/c1-14(20-15(2)17-8-6-5-7-9-17)10-16-11-18(21-3)13-19(12-16)22-4/h5-9,11-15,20H,10H2,1-4H3"	CC(CC1=CC(=CC(=C1)OC)OC)NC(C)C2=CC=CC=C2	SYEUWNAKPZKYGI-UHFFFAOYSA-N
DG60624	"6-Amino-1,3-dibromo-5-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-one"	499145	"NSC661196; 6-amino-1,3-dibromo-5-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-one; {Cyclopenta[c]thiophen-4-one,} 6-amino-1,3-dibromo- 5-hydroxy-, (cis)-, hydrochloride; 6-Amino-1,3-dibromo-5-hydroxy-5,6-dihydro-4H-cyclopenta[c]thiophen-4-one hydrochloride; Cyclopenta[c]thiophen-4-one, 6-amino-1,3-dibromo- 5-hydroxy-, (cis)-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661196	.	.	.	.	327	C7H5Br2NO2S	91.6	253	1.5	13	2	4	0	"InChI=1S/C7H5Br2NO2S/c8-6-1-2(7(9)13-6)4(11)5(12)3(1)10/h3,5,12H,10H2"	C1(C(C(=O)C2=C(SC(=C21)Br)Br)O)N	YOLIFSPBHKLMGH-UHFFFAOYSA-N
DG60625	Ammonia; dichloroplatinum; quinoline	499153	"ammonia; dichloroplatinum; quinoline; NSC662252; Quinoline, compd. with dichloroplatinum, ammoniate (1:1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662252	.	.	.	.	412.18	C9H10Cl2N2Pt	13.9	114	.	14	1	2	0	InChI=1S/C9H7N.2ClH.H3N.Pt/c1-2-6-9-8(4-1)5-3-7-10-9;;;;/h1-7H;2*1H;1H3;/q;;;;+2/p-2	C1=CC=C2C(=C1)C=CC=N2.N.Cl[Pt]Cl	QTDUVGMZVXBTGC-UHFFFAOYSA-L
DG60626	Ammonia; dichloroplatinum; isoquinoline	499154	"NSC662253; ammonia; dichloroplatinum; isoquinoline; Isoquinoline, compd. with dichloroplatinum, ammoniate (1:1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662253	.	.	.	.	412.18	C9H10Cl2N2Pt	13.9	114	.	14	1	2	0	InChI=1S/C9H7N.2ClH.H3N.Pt/c1-2-4-9-7-10-6-5-8(9)3-1;;;;/h1-7H;2*1H;1H3;/q;;;;+2/p-2	C1=CC=C2C=NC=CC2=C1.N.Cl[Pt]Cl	TZZUAVVRPOAQBT-UHFFFAOYSA-L
DG60627	"4,9-Bis(2,4,6-trimethylphenyl)-1,2,3,4,6,7,8,9-octahydropyrido[3,4-g]isoquinoline; 2-hydroxy-2-phenyl-acetic acid"	499458	"NSC678412; NSC-678412; NCI60_028085; 4,9-bis(2,4,6-trimethylphenyl)-1,2,3,4,6,7,8,9-octahydropyrido[3,4-g]isoquinoline; 2-hydroxy-2-phenyl-acetic acid; Hydroxy(phenyl)acetic acid compound with 4,9-dimesityl-1,2,3,4,6,7,8,9-octahydropyrido[3,4-g]isoquinoline (1:1); Pyrido[3, 1,2,3,4,6,7,8,9-octahydro- 4,9-bis(2,4,6-trimethylphenyl)-, .alpha.-hydroxybenzeneacetic acid (salt), cis-(+-)-; Pyrido[3, 1,2,3,4,6,7,8,9-octahydro- 4,9-bis(2,4,6-trimethylphenyl)-, mandelic acid (salt),cis-(+-)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678412	.	.	.	.	576.8	C38H44N2O3	81.6	693	.	43	4	5	4	"InChI=1S/C30H36N2.C8H8O3/c1-17-7-19(3)29(20(4)8-17)27-15-31-13-23-12-26-24(11-25(23)27)14-32-16-28(26)30-21(5)9-18(2)10-22(30)6;9-7(8(10)11)6-4-2-1-3-5-6/h7-12,27-28,31-32H,13-16H2,1-6H3;1-5,7,9H,(H,10,11)"	CC1=CC(=C(C(=C1)C)C2CNCC3=CC4=C(CNCC4C5=C(C=C(C=C5C)C)C)C=C23)C.C1=CC=C(C=C1)C(C(=O)O)O	UZWBYNIXIHMYOQ-UHFFFAOYSA-N
DG60628	"(1,1,3,3-Tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-ylidene)methanediol"	499480	"NSC680213; (1,1,3,3-tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-ylidene)methanediol; (1,1,3,3-Tetramethyl-1lambda~5~,3lambda~5~,2-diazaborolidin-2-yl)methanediol hydrobromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680213	.	.	.	.	173.04	C7H18BN2O2+	40.5	214	.	12	2	3	0	"InChI=1S/C7H17BN2O2/c1-9(2)5-6-10(3,4)8(9)7(11)12/h5-6H2,1-4H3,(H-,11,12)/p+1"	[B-]1(=C(O)O)[N+](CC[N+]1(C)C)(C)C	YSHNYZIGZVWJFQ-UHFFFAOYSA-O
DG60629	"chloroplatinum(1+); 2-diphenylphosphanyl-N,N-dimethyl-ethanamine"	499568	"NSC685470; chloroplatinum(1+); 2-diphenylphosphanyl-N,N-dimethyl-ethanamine; Ethanamine, 2-(diphenylphosphino)-N,N-dimethyl-, compd. with ethanamine, 2-(diphenylphosphino)-N,N-dimethyl- (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685470	.	.	.	.	745.2	C32H40ClN2P2Pt+	6.5	201	.	38	0	2	10	"InChI=1S/2C16H20NP.ClH.Pt/c2*1-17(2)13-14-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16;;/h2*3-12H,13-14H2,1-2H3;1H;/q;;;+2/p-1"	CN(C)CCP(C1=CC=CC=C1)C2=CC=CC=C2.CN(C)CCP(C1=CC=CC=C1)C2=CC=CC=C2.Cl[Pt+]	HQNSEIXQGPNPBU-UHFFFAOYSA-M
DG60630	"17-Amino-2-ethoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol"	499601	"NSC687454; 17-amino-2-ethoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol; 17-Amino-2-ethoxyestra-1,3,5(10)-trien-3-ol hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687454	.	.	.	.	315.4	C20H29NO2	55.5	441	4.1	23	2	3	2	"InChI=1S/C20H29NO2/c1-3-23-18-11-15-12(10-17(18)22)4-5-14-13(15)8-9-20(2)16(14)6-7-19(20)21/h10-11,13-14,16,19,22H,3-9,21H2,1-2H3"	CCOC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4N)C)O	MXLBTISYCZAUPN-UHFFFAOYSA-N
DG60631	"5-(5-diazoimidazol-4-yl)-1H-1,2,4-triazole"	500000	"NSC95448; s-Triazole, 3-(5(or 4)-diazoimidazol-4(or 5)-yl)-; s-Triazole, 3-[5(or 4)-diazoimidazol-4(or 5)-yl]-; 5-(5-diazoimidazol-4-yl)-1H-1,2,4-triazole; NCIOpen2_001360; CHEMBL1995096; NSC-95448; ZINC17014314; NCI60_042123; 1H-1,4-Triazole, 3-(4-diazo-4H-imidazol-5-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95448	.	.	.	.	161.12	C5H3N7	68.3	297	0	12	1	3	1	"InChI=1S/C5H3N7/c6-11-4-3(7-1-8-4)5-9-2-10-12-5/h1-2H,(H,9,10,12)"	C1=NC(=[N+]=[N-])C(=N1)C2=NC=NN2	GCNHJMIFEBTWOD-UHFFFAOYSA-N
DG60632	Similikalactone D	500023	"Similikalactone D; NSC266494; (trihydroxy-trimethyl-dioxo-[ ]yl) 2-methylbutanoate; Picras-3-ene-2,16-dione, 13,20-epoxy-1,11,12-trihydroxy-15-( 2-methyl-1-oxobutoxy)-, (1.beta.,11.beta.,12.alpha.,15.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	266494	.	.	.	.	478.5	C25H34O9	140	975	0.6	34	3	9	4	"InChI=1S/C25H34O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12,14-20,27-29H,6,8-9H2,1-5H3"	CCC(C)C(=O)OC1C2C3(C(C(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C	OKIKYYZNNZCZRX-UHFFFAOYSA-N
DG60633	"3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, 10-ethoxydecahydro-3,6,9-trimethyl-"	500080	"3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, 10-ethoxydecahydro-3,6,9-trimethyl-; ethoxy(trimethyl)[ ]; NSC634039; NSC665971; 109716-83-8; SCHEMBL60336; FT-0648306; FT-0662291; Dihydroartemisinin ethyl ether, NSC 665971; .alpha.-Ethylether of 11-epi-dihydroartemisinin; Q706868; (1R,4S,5R,8S,9R,10S,12R,13R)-10-ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13.0^{8,13]hexadecane; 10-ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665971	.	.	.	.	312.4	C17H28O5	46.2	443	3.4	22	0	5	2	"InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3"	CCOC1C(C2CCC(C3C24C(O1)OC(CC3)(OO4)C)C)C	NLYNIRQVMRLPIQ-UHFFFAOYSA-N
DG60634	"Dichloropalladium; 1-(2,6-difluorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole; tripropylphosphane"	500135	"NSC654294; dichloropalladium; 1-(2,6-difluorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole; tripropylphosphane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654294	.	.	.	.	625.9	C24H31Cl2F2N2PPdS	43.1	410	.	33	0	4	7	"InChI=1S/C15H10F2N2S.C9H21P.2ClH.Pd/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15;1-4-7-10(8-5-2)9-6-3;;;/h1-7,15H,8H2;4-9H2,1-3H3;2*1H;/q;;;;+2/p-2"	CCCP(CCC)CCC.C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC=C4F)F.Cl[Pd]Cl	NAPHJZLHWXEOLA-UHFFFAOYSA-L
DG60635	3-((2-O-(6-Deoxyhexopyranosyl)-3-O-hexopyranosylhexopyranosyl)oxy)-22-methoxyfurost-5-en-26-yl hexopyranoside	500377	"Methyl protogracillin; NSC698792; NSC698793; 54522-53-1; AKOS037515148; 2-[5-hydroxy-6-(hydroxymethyl)-2-[methoxy-trimethyl-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butyl][ ]yl]oxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol; 3-((2-O-(6-Deoxyhexopyranosyl)-3-O-hexopyranosylhexopyranosyl)oxy)-22-methoxyfurost-5-en-26-yl hexopyranoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698792	.	.	.	.	1079.2	C52H86O23	355	1940	-0.7	75	13	23	16	"InChI=1S/C52H86O23/c1-21(20-67-46-41(63)39(61)35(57)30(17-53)70-46)9-14-52(66-6)22(2)33-29(75-52)16-28-26-8-7-24-15-25(10-12-50(24,4)27(26)11-13-51(28,33)5)69-49-45(74-47-42(64)38(60)34(56)23(3)68-47)44(37(59)32(19-55)72-49)73-48-43(65)40(62)36(58)31(18-54)71-48/h7,21-23,25-49,53-65H,8-20H2,1-6H3"	CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC	LOSNTJHBTWBJCC-UHFFFAOYSA-N
DG60636	"Purine, 6-butylamino-2-methylthio-"	517841	"NSC29424; NSC-29424; NCI60_002435; NCIStruc1_000374; NCIStruc2_000525; CHEMBL1493039; NCI29424; ZINC1652092; Purine, 6-butylamino-2-methylthio-; CCG-38003; NCGC00013362; NCGC00013362-02; NCGC00096479-01; N-butyl-2-(methylthio)-9H-purin-6-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	29424	.	.	.	.	237.33	C10H15N5S	91.8	215	2.5	16	2	5	5	"InChI=1S/C10H15N5S/c1-3-4-5-11-8-7-9(13-6-12-7)15-10(14-8)16-2/h6H,3-5H2,1-2H3,(H2,11,12,13,14,15)"	CCCCNC1=NC(=NC2=C1NC=N2)SC	YEZACIOSMXFXIA-UHFFFAOYSA-N
DG60637	"Tricyclo[3.3.1.1~3,7~]tetraarsoxane"	518605	"CHEBI:30621; NSC-759274; As4O6; tetraarsenic oxide; tricyclo[3.3.1.1~3,7~]tetraarsoxane; tetraarsenic hexaoxide; arsenic oxide (As4O6); As2O3; Arsentrioxid; Arseneous oxide; Arseneous anhydride; DSSTox_CID_103; DSSTox_RID_75368; DSSTox_GSID_20103; 12505-67-8; CHEMBL2362016; DTXSID40925001; HMS2093H20; Pharmakon1600-01505957; Tox21_112255; NSC-92859; NSC759274; 2,4,6,8,9,10-Hexaoxa-1,3,5,7-tetraarsatricyclo[3.3.1.13,7]decane; tricyclo[3.3.1.1(3,7)]tetraarsoxane; CAS-1327-53-3; SBI-0206862.P001; 2,4,6,7,8,10-Hexaoxa-1,3,5,7-tetraarsatricyclo[3.3.1.1<3,7>]decane; 2,4,6,7,8,10-Hexaoxa-1,3,5,7-tetraarsatricyclo[3.3.1.13,7]decane; 2,4,6,8,9,10-Hexaoxa-1,3,5,7-tetraarsatricyclo[3.3.1.1<3,7>]decane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759274	.	.	.	.	395.68	As4O6	55.4	84.8	.	10	0	6	0	InChI=1S/As4O6/c5-1-6-3-8-2(5)9-4(7-1)10-3	O1[As]2O[As]3O[As]1O[As](O2)O3	KTTMEOWBIWLMSE-UHFFFAOYSA-N
DG60638	"2-Propanone, 2-(9H-purin-6-yl)hydrazone"	520491	"NSC45641; 2-Propanone, 2-(9H-purin-6-yl)hydrazone; MLS002702851; NSC-45641; N-(propan-2-ylideneamino)-7H-purin-6-amine; NCIStruc1_000251; NCIStruc2_000043; Acetone, purin-6-yl hydrazone; acetone 9H-purin-6-ylhydrazone; CHEMBL1489044; NCI45641; ZINC3954013; CCG-36573; NCGC00013551; AKOS001427921; MCULE-5436183559; NCGC00013551-02; NCGC00096664-01; 307326-46-1; NCI60_004079; SMR001566673; 6-[2-(propan-2-ylidene)hydrazin-1-yl]-7H-purine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45641	.	.	.	.	190.21	C8H10N6	78.8	224	0.8	14	2	5	2	"InChI=1S/C8H10N6/c1-5(2)13-14-8-6-7(10-3-9-6)11-4-12-8/h3-4H,1-2H3,(H2,9,10,11,12,14)"	CC(=NNC1=NC=NC2=C1NC=N2)C	XFVMXPHMLRAJJB-UHFFFAOYSA-N
DG60639	Triphenyl-diphenylmethyl-phosphonium-bromide	522488	7333-65-5; Triphenyl-diphenylmethyl-phosphonium-bromide; SCHEMBL9179116; CHEMBL1979373; DTXSID00994056; NSC64103; NSC-64103; AKOS024405828; MCULE-6547857781; NSC-176878; triphenyl (diphenylmethyl)phosphonium bromide; (Diphenylmethyl)(triphenyl)phosphanium bromide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176878	.	.	.	.	509.4	C31H26BrP	0	461	.	33	0	1	6	"InChI=1S/C31H26P.BrH/c1-6-16-26(17-7-1)31(27-18-8-2-9-19-27)32(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30;/h1-25,31H;1H/q+1;/p-1"	C1=CC=C(C=C1)C(C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]	FTSCODUNODCCCT-UHFFFAOYSA-M
DG60640	2-Phenoxy-N'-phenylacetohydrazide	572040	2-Phenoxy-N'-phenylacetohydrazide; ZINC246574; 2-Phenoxy-N'-phenylacetohydrazide #; NSC768098; STK066211; AKOS002710398; MCULE-8698634401; NSC-768098; Phenoxy-acetic acid N'-phenyl-hydrazide; SR-01000399314; SR-01000399314-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768098	.	.	.	.	242.27	C14H14N2O2	50.4	246	3.1	18	2	3	5	"InChI=1S/C14H14N2O2/c17-14(11-18-13-9-5-2-6-10-13)16-15-12-7-3-1-4-8-12/h1-10,15H,11H2,(H,16,17)"	C1=CC=C(C=C1)NNC(=O)COC2=CC=CC=C2	JRJRZCFIDWTLGU-UHFFFAOYSA-N
DG60641	"Purine-6-thiol, ethyl carbonate"	580739	"Purine-6-thiol, ethyl carbonate; 92352-22-2; DTXSID10342322; NSC69608; NSC-69608; o-Ethyl S-(7H-purin-6-yl) thiocarbonate #; Thiocarbonic acid o-ethyl-S-purin-6-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69608	.	.	.	.	224.24	C8H8N4O2S	106	241	1.5	15	1	6	4	"InChI=1S/C8H8N4O2S/c1-2-14-8(13)15-7-5-6(10-3-9-5)11-4-12-7/h3-4H,2H2,1H3,(H,9,10,11,12)"	CCOC(=O)SC1=NC=NC2=C1NC=N2	KDZQFTVDTGVNCC-UHFFFAOYSA-N
DG60642	"ethyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate"	596982	"ethyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate; 31898-59-6; ChemDiv3_003667; Oprea1_595339; (6-Methoxy-benzothiazol-2-yl)-carbamic acid ethyl ester; CHEMBL2297719; ZINC81076; HMS1483G15; NSC764928; AKOS000539817; CCG-112494; MCULE-1542234619; NSC-764928; IDI1_021577; VU0509074-1; Benzothiazole, 2-ethoxycarbonylamino-6-methoxy-; ethyl (6-methoxybenzo[d]thiazol-2-yl)carbamate; Ethyl 6-methoxy-1,3-benzothiazol-2-ylcarbamate #; BRD-K77370736-001-01-9; Z56819141; F3097-5001"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764928	.	.	.	.	252.29	C11H12N2O3S	88.7	277	2.6	17	1	5	4	"InChI=1S/C11H12N2O3S/c1-3-16-11(14)13-10-12-8-5-4-7(15-2)6-9(8)17-10/h4-6H,3H2,1-2H3,(H,12,13,14)"	CCOC(=O)NC1=NC2=C(S1)C=C(C=C2)OC	GHIRUMJDKBOSME-UHFFFAOYSA-N
DG60643	"3-Amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-E]pyridine-2-carboxamide"	612420	"3-Amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-E]pyridine-2-carboxamide; Oprea1_296314; Oprea1_495116; SCHEMBL431591; CHEMBL3770705; ZINC34799; NSC775440; STK763055; AKOS001744062; MCULE-1754396750; NSC-775440; SR-01000530245; SR-01000530245-1; N-(2,3-Dimethylphenyl)-1-amino-3-thia-4-aza-3,5,6,7-tetrahydro-s-indacene-2-carboxamide; 3-Amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-E]pyridine-2-carboxamide #; 5H-Cyclopenta[b]thieno[3,2-E]pyridin-2-carboxamide, 6,7-dihydro-3-amino-N-(2,3-dimethylphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775440	.	.	.	.	337.4	C19H19N3OS	96.2	487	4.7	24	2	4	2	"InChI=1S/C19H19N3OS/c1-10-5-3-7-14(11(10)2)21-18(23)17-16(20)13-9-12-6-4-8-15(12)22-19(13)24-17/h3,5,7,9H,4,6,8,20H2,1-2H3,(H,21,23)"	CC1=C(C(=CC=C1)NC(=O)C2=C(C3=C(S2)N=C4CCCC4=C3)N)C	FGFIVSXFFWDIPQ-UHFFFAOYSA-N
DG60644	"2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide"	615754	"2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide; TCMDC-123992; GNF-Pf-3828; 405277-62-5; SMR000012972; 2-Amino-6,7-dimethoxy-quinoline-3-carboxylic acid phenylamide; Cambridge id 7119071; Oprea1_398656; MLS000034768; MLS002539358; CHEMBL530149; HMS1690K17; HMS2283F09; ZINC340306; MFCD02625800; MMV006767; NSC766578; STK895036; AKOS000597382; MCULE-4456901740; NSC-766578; AG-205/40649270; SR-01000532278; SR-01000532278-1; 2-Amino-6,7-dimethoxy-N-phenyl-3-quinolinecarboxamide #; Quinoline-3-carboxamide, 2-amino-6,7-dimethoxy-N-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766578	.	.	.	.	323.3	C18H17N3O3	86.5	428	3.2	24	2	5	4	"InChI=1S/C18H17N3O3/c1-23-15-9-11-8-13(17(19)21-14(11)10-16(15)24-2)18(22)20-12-6-4-3-5-7-12/h3-10H,1-2H3,(H2,19,21)(H,20,22)"	COC1=CC2=CC(=C(N=C2C=C1OC)N)C(=O)NC3=CC=CC=C3	DXTQMJCEDQUJSJ-UHFFFAOYSA-N
DG60645	"2-allyl-6-morpholin-4-yl-1H-benzo[de]isoquinoline-1,3(2H)-dione"	619416	"CBDivE_004062; SCHEMBL12963918; ZINC4012152; NSC781010; STL321522; AKOS000666895; MCULE-2065815420; NSC-781010; N-Allyl-4-morpholino-1,8-naphthalimide; N-Allyl-4-morpholino-1,8-naphthalenedicarbimide; 2-Allyl-6-(4-morpholinyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione; 2-allyl-6-morpholin-4-yl-1H-benzo[de]isoquinoline-1,3(2H)-dione; 2-Allyl-6-(4-morpholinyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione #; 6-(morpholin-4-yl)-2-(prop-2-en-1-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione; 151136-26-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781010	.	.	.	.	322.4	C19H18N2O3	49.8	529	2.5	24	0	4	3	"InChI=1S/C19H18N2O3/c1-2-8-21-18(22)14-5-3-4-13-16(20-9-11-24-12-10-20)7-6-15(17(13)14)19(21)23/h2-7H,1,8-12H2"	C=CCN1C(=O)C2=C3C(=C(C=C2)N4CCOCC4)C=CC=C3C1=O	HXBXMNCIDQBCHE-UHFFFAOYSA-N
DG60646	Kauran-16-ol	623309	Kauran-16-ol; 5524-17-4; Ceruchinol; Kauran-16.alpha.-ol; (-)-16.alpha.-Kauranol; (-)-Kauran-16.alpha.-ol; (ent-16alpha)-16-Kauranol; (-)-16.alpha.-Hydroxykaurane; DTXSID20347585; NSC264878	.	.	Investigative Drug(s)	Investigative	Small molecular drug	264878	.	.	.	.	290.5	C20H34O	20.2	455	5.9	21	1	1	0	"InChI=1S/C20H34O/c1-17(2)9-5-10-18(3)15(17)8-11-20-12-14(6-7-16(18)20)19(4,21)13-20/h14-16,21H,5-13H2,1-4H3"	CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)(C)O)C)C	FZSRMADKTOBCNT-UHFFFAOYSA-N
DG60647	"Benzene, 1,2-bis(2-pyridin-2-ylethynyl)-"	624485	"Benzene, 1,2-bis(2-pyridin-2-ylethynyl)-; SCHEMBL16004606; 1,2-bis(2-pyridylethynyl)benzene; 1,2-bis(2'-pyridylethynyl)benzene; NSC727183; NSC-727183; 2-([2-(2-Pyridinylethynyl)phenyl]ethynyl)pyridine #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727183	.	.	.	.	280.3	C20H12N2	25.8	437	3.9	22	0	2	4	"InChI=1S/C20H12N2/c1-2-8-18(12-14-20-10-4-6-16-22-20)17(7-1)11-13-19-9-3-5-15-21-19/h1-10,15-16H"	C1=CC=C(C(=C1)C#CC2=CC=CC=N2)C#CC3=CC=CC=N3	FNUCEKUSUXIHOK-UHFFFAOYSA-N
DG60648	Ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate	629761	ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate; 22609-01-4; 6-Chloro-3-ethoxycarbonyl-2-methyl-4-phenylquinoline; 6-Chloro-2-methyl-4-phenyl-quinoline-3-carboxylic acid ethyl ester; SMR000176345; CBMicro_000763; Oprea1_136878; Oprea1_241001; MLS000560403; SCHEMBL3322903; CHEMBL1213820; DTXSID40348054; HMS2533J24; ZINC102001; SMSF0006844; MFCD00104359; NSC737758; STK387401; AKOS000678843; CB02026; CCG-246180; MCULE-5223758621; NSC-737758; BIM-0000652.P001; EU-0000975; A816284; SR-01000395845; SR-01000395845-1; BRD-K99836141-001-07-9; 6-chloro-2-methyl-4-phenylquinolin-3-ethyl carboxylate; ethyl-6-chloro-2-methyl-4-phenylquinoline-3-carboxylate; Ethyl 6-chloro-2-methyl-4-phenyl-3-quinolinecarboxylate #; ethyl 6-chloro-2-methyl-4-phenyl-quinoline-3-carboxylate; 2-Methyl-4-phenyl-6-chloro-3-quinolinecarboxylic acid ethyl ester; 6-chloro-2-methyl-4-phenyl-3-quinolinecarboxylic acid ethyl ester; 6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid ethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737758	.	.	.	.	325.8	C19H16ClNO2	39.2	410	5.1	23	0	3	4	"InChI=1S/C19H16ClNO2/c1-3-23-19(22)17-12(2)21-16-10-9-14(20)11-15(16)18(17)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3"	CCOC(=O)C1=C(N=C2C=CC(=CC2=C1C3=CC=CC=C3)Cl)C	BHCZANKDQKMIBU-UHFFFAOYSA-N
DG60650	"1,3-benzothiazol-2(3H)-ylidenemalononitrile"	641563	"2-(benzothiazol-2(3H)-ylidene)malononitrile; 2-[benzothiazol-2(3H)-ylidene]malononitrile; 1,3-benzothiazol-2(3H)-ylidenemalononitrile; SCHEMBL76412; 2-dicyanomethylene-benzothiazole; NSC728029; NSC-728029; Benzothiazole-2(3H)-ylidenemalononitrile; 4464-52-2; propanedinitrile, 2(3H)-benzothiazolylidene-; 2-(Benzo[d]thiazol-2(3H)-ylidene)malononitrile; 1,3 - Benzthiazo - 2(3H)- ylidene Malononitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728029	.	.	.	.	199.23	C10H5N3S	84.9	349	2	14	1	4	0	"InChI=1S/C10H5N3S/c11-5-7(6-12)10-13-8-3-1-2-4-9(8)14-10/h1-4,13H"	C1=CC=C2C(=C1)NC(=C(C#N)C#N)S2	VUNPYDYMOWBARG-UHFFFAOYSA-N
DG60651	Vedelianin	643539	"Vedelianin; (+)-vedelianin; CHEBI:66352; (2S,3R,4aR,9aR)-7-{(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-en-1-yl)phenyl]ethenyl}-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene-2,3,5-triol; 2alpha,3alpha-dihydroxy-7-(6'-isoprenyl-5',7'-dihydroxystyryl)1,1-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene; CHEMBL223046; NSC720065; NSC-720065; Q27134899"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720065	.	.	.	.	480.6	C29H36O6	110	791	5.7	35	5	6	4	"InChI=1S/C29H36O6/c1-16(2)6-9-20-21(30)11-18(12-22(20)31)8-7-17-10-19-14-25-28(3,4)27(34)24(33)15-29(25,5)35-26(19)23(32)13-17/h6-8,10-13,24-25,27,30-34H,9,14-15H2,1-5H3/b8-7+/t24-,25-,27-,29-/m1/s1"	CC(=CCC1=C(C=C(C=C1O)/C=C/C2=CC3=C(C(=C2)O)O[C@@]4(C[C@H]([C@H](C([C@H]4C3)(C)C)O)O)C)O)C	OYMAGMAEFPAAGU-HKYLTJPLSA-N
DG60652	Malyngamide S	643654	Malyngamide S; CHEMBL523553; YISCQTHSBLSJHQ-JLKVJSSTSA-; NSC721610; NSC-721610	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721610	.	.	.	.	484.1	C26H42ClNO5	92.7	745	4.6	33	2	5	13	"InChI=1S/C26H42ClNO5/c1-7-8-10-13-20(33-6)14-11-9-12-15-21(29)28-17-19(16-27)22-24(31)25(3,4)23(30)18(2)26(22,5)32/h9,11,16,18,20,22,32H,7-8,10,12-15,17H2,1-6H3,(H,28,29)/b11-9+,19-16-/t18-,20+,22+,26-/m1/s1"	CCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)/[C@H]1C(=O)C(C(=O)[C@H]([C@@]1(C)O)C)(C)C)OC	YISCQTHSBLSJHQ-JLKVJSSTSA-N
DG60653	"N~2~-(3-fluorophenyl)quinazoline-2,4-diamine"	653020	"MLS000034907; N*2*-(3-Fluoro-phenyl)-quinazoline-2,4-diamine; SMR000014425; CHEMBL1623028; BDBM49184; cid_2952346; ZINC572963; MMV080034; NSC766757; STK971763; AKOS000642098; MCULE-8209002087; NSC-766757; N~2~-(3-fluorophenyl)quinazoline-2,4-diamine; SR-01000664751; SR-01000664751-2; 2-N-(3-fluorophenyl)quinazoline-2,4-diamine;hydrochloride; N2-(3-fluorophenyl)quinazoline-2,4-diamine;hydrochloride; (4-aminoquinazolin-2-yl)-(3-fluorophenyl)amine;hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766757	.	.	.	.	254.26	C14H11FN4	63.8	301	3.3	19	2	5	2	"InChI=1S/C14H11FN4/c15-9-4-3-5-10(8-9)17-14-18-12-7-2-1-6-11(12)13(16)19-14/h1-8H,(H3,16,17,18,19)"	C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC(=CC=C3)F)N	GMSVPBCCVMQLIL-UHFFFAOYSA-N
DG60654	"2,7-bis(piperidin-1-ylsulfonyl)-9H-fluoren-9-one oxime"	654092	"CIL56; 300802-28-2; CA3 - Bio-X; 2,7-bis(piperidin-1-ylsulfonyl)-9H-fluoren-9-one oxime; CA3; 2,7-Bis(1-piperidinylsulfonyl)-9H-fluoren-9-one oxime; ChemDiv1_019847; Oprea1_120721; Oprea1_311942; MLS000880133; CIL-56; CIL56(CA3); CHEMBL1349063; REGID_for_CID_654092; SCHEMBL15540128; HMS643G03; HMS2386B14; ZINC828401; BCP29111; EX-A4240; NSC785526; NSC836049; s8661; AKOS000577087; CCG-269608; MCULE-1548790066; NSC-785526; NSC-836049; SB19126; AS-56307; BC164191; HY-112063; CS-0043237; C74539; 2,7-bis(piperidinosulfonyl)-9H-fluoren-9-one oxime; N-[(9E)-2,7-bis(piperidine-1-sulfonyl)-9H-fluoren-9-ylidene]hydroxylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	836049	.	.	.	.	489.6	C23H27N3O5S2	124	870	3.3	33	1	8	4	"InChI=1S/C23H27N3O5S2/c27-24-23-21-15-17(32(28,29)25-11-3-1-4-12-25)7-9-19(21)20-10-8-18(16-22(20)23)33(30,31)26-13-5-2-6-14-26/h7-10,15-16,27H,1-6,11-14H2"	C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NO)C=C(C=C4)S(=O)(=O)N5CCCCC5	XYZXEEIUKQGUHB-UHFFFAOYSA-N
DG60655	Methisazone	667492	"Methisazone; Metisazone; 1910-68-5; Marboran; Kemoviran; Metisazon; Metisazonum; Viruzona; N-Methylisatin-3-thiosemicarbazone; Compound 33T57; 1-Methylisatin 3-thiosemicarbazone; NSC-69811; N-Methylisatin thiosemicarbazone; BW 33-T-57; N-Methylisatin 3-(thiosemicarbazone); NSC 69811; 33T57; Methsazone; B. W. 33-T-57; N-Methylindole-2,3-dione thiosemicarbazone; UNII-K3QML4J07E; NSC 70969; MIBT; Methisazone [USAN]; Isatin, 1-methyl-, 3-(thiosemicarbazone); 1-methylisatin, 3-thiosemicarbazide; 26153-15-1; K3QML4J07E; Hydrazinecarbothioamide, 2-(1,2-dihydro-1-methyl-2-oxo-3H-indol-3-ylidene)-; 1-Methylisatin 3-semicarbazone; 1-Methylindole-2,3-Dione 3-thiosemicarbazone; INDOLE-2,3-DIONE, 1-METHYL-, 3-(THIOSEMICARBAZONE); Metisazone (INN); Metisazone [INN]; NSC69811; NSC70969; NSC-70969; Methisazone (USAN); BW-33-T-57; .beta.-Thiosemicarbazone-N-methylisatin; N-Methylisatin .beta.-thiosemicarbazone; 1-Methylisatin .beta.-thiosemicarbazone; NCGC00164522-01; {[(3Z)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea; Isatin, 3-(thiosemicarbazone); Metisazona; (Z)-2-(1-methyl-2-oxoindolin-3-ylidene)hydrazine-1-carbothioamide; WLN: T56 BNVYJ B1 DUNMYZUS; Metisazonum [INN-Latin]; Metisazona [INN-Spanish]; N-Methylisatin .beta.-thiosemicarbazide; N-Methylisatin-.beta.-thiosemicarbazone; Indole-2, 1-methyl-, 3-(thiosemicarbazone); beta-Thiosemicarbazone-N-methylisatin; EINECS 217-616-2; N-Methylisatin beta-thiosemicarbazide; N-Methylisatin-beta-thiosemicarbazone; 1-Methylisatin beta-thiosemicarbazone; Methisazon; Marborane; AI3-62297; Hydrazinecarbothioamide,2-dihydro-1-methyl-2-oxo-3H-indol-3-ylidene)-; 1-Methylindole-2,3-dione 3-(thiosemicarbazone); M-IBT; DSSTox_CID_26413; DSSTox_RID_81592; NCIOpen2_003221; NCIOpen2_003444; DSSTox_GSID_46413; SCHEMBL145868; [(Z)-(1-methyl-2-oxoindol-3-ylidene)amino]thiourea; CHEMBL362994; CHEMBL1512080; CHEMBL2354555; CHEMBL4777221; DTXSID7046413; CHEBI:134952; Tox21_112155; BW 33-T57; MFCD00044199; MFCD00170583; STK387544; AKOS002376731; AKOS003232549; AKOS030253422; ZINC100011971; ZINC100054648; ZINC254565689; DB13641; MCULE-5335782926; MS-6486; NCGC00164522-02; CAS-1910-68-5; 1-Methyl-3-thiosemicarbazonoindoline-2-one; DB-044754; (2-hydroxy-1-methylindol-3-yl)iminothiourea; FT-0633906; D02496; SR-01000945054; Q4562049; SR-01000945054-1; 1-Methyl-1H-indole-2,3-dione 3-thiosemicarbazone #; (3E)-1-methyl-1H-indole-2,3-dione 3-thiosemicarbazone; [(Z)-(1-methyl-2-oxo-indolin-3-ylidene)amino]thiourea; (E)-2-(1-methyl-2-oxoindolin-3-ylidene)hydrazinecarbothioamide; [(1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene)amino]thiourea; (2E)-2-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide; Hydrazinecarbothioamide, 2-(1,2-dihydro-1-methyl-2-oxo-3H-indole-3-ylidene)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69811	.	.	.	.	234.28	C10H10N4OS	108	309	2	16	2	3	1	"InChI=1S/C10H10N4OS/c1-14-7-5-3-2-4-6(7)8(9(14)15)12-13-10(11)16/h2-5,15H,1H3,(H2,11,16)"	CN1C2=CC=CC=C2C(=C1O)N=NC(=S)N	TTZUCVNWOZLIGL-UHFFFAOYSA-N
DG60656	Tyrphostin 47	667601	"Tyrphostin 47; Tyrphostin A47; AG 213; AG-213; 118409-60-2; RG-50864; 122520-86-9; 3,4-Dihydroxy-alpha-cyanothiocinnamamide; RG 50864; CHEMBL77030; 2-Propenethioamide, 2-cyano-3-(3,4-dihydroxyphenyl)-; (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethioamide; tyrphostin AG213; Tyrphostin AG-213; Tyrphostin RG50864; (2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethioamide; 2-Propenethioamide, 2-cyano-3-(3,4-dihydroxyphenyl)-, (2E)-; 3,4-Dihydroxy-alpha-cyanothiocinnamide; RG50864; alpha-Cyano-3,4-dihydroxythiocinnamamide; AG213; 3,4-Dihydroxybenzylidenethioacetamide; alpha-Cyano-(3,4-dihydroxy)thiocinnamide; Tyrphostin A-47; 2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenethioamide; Tocris-0503; BiomolKI_000014; Lopac-T-7540; BiomolKI2_000024; AG213 (Tyrphostin 47); BMK1-C2; BSPBio_001392; SCHEMBL239295; T7540 (Tyrphostin 47); BDBM4363; SCHEMBL14411466; CHEBI:93703; DTXSID701018041; HMS1361F14; HMS1791F14; HMS1989F14; HMS3402F14; ZINC3871430; 2087AH; NSC638083; AG-213 AG 213; CCG-100618; NSC-638083; IDI1_033862; NCGC00016050-01; NCGC00016050-02; NCGC00016050-03; NCGC00016050-04; NCGC00016050-05; NCGC00016050-06; NCGC00024619-01; NCGC00024619-02; NCGC00024619-03; NCGC00024619-04; benzylidenemalononitrile (BMN) deriv. 47; 2-Cyano-3-(3,4-dihydroxy-phenyl)-thioacrylamide; 409A602; SR-01000597611; SR-01000597611-1; BRD-K96778649-001-01-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638083	.	.	.	.	220.25	C10H8N2O2S	122	332	1	15	3	4	2	"InChI=1S/C10H8N2O2S/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+"	C1=CC(=C(C=C1/C=C(\\C#N)/C(=S)N)O)O	ZGHQGWOETPXKLY-XVNBXDOJSA-N
DG60657	Piceatannol	667639	"piceatannol; 10083-24-6; 3-Hydroxyresveratol; (E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol; 3,5,3',4'-Tetrahydroxystilbene; 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol; 3,3',4'5-Tetrahydroxystilbene; 3,3',4,5'-Tetrahydroxystilbene; Astringenin; trans-Piceatannol; UNII-6KS3LS0D4F; 4339-71-3; 4-[(E)-2-(3,5-dihydroxyphenyl)vinyl]benzene-1,2-diol; C14H12O4; NSC-365798; 6KS3LS0D4F; CHEMBL69863; CHEBI:28814; 1,2-Benzenediol, 4-(2-(3,5-dihydroxyphenyl)ethenyl)-, (E)-; MFCD00221715; NSC365798; NSC622471; piceatanol; 3,3',4,5'-Tetrahydroxy-trans-stilbene; 4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]-1,2-benzenediol; 4-(3,5-dihydroxystyryl)benzene-1,2-diol; SMR001230734; SR-01000076056; MLS003171221; NSC 365798; NSC 622471; Astringinine; 1,2-Benzenediol, 4-[2-(3,5-dihydroxyphenyl)ethenyl]-, (E)-; 3,3',4,5'-Stilbenetetrol; CCRIS 9289; (E)-Piceatannol; Piceatannol, powder; 1,2-Benzenediol, 4-(2-(3,5-dihydroxyphenyl)ethenyl)-; BiomolKI_000023; BiomolKI2_000031; Lopac0_000915; SCHEMBL43541; BSPBio_001120; MLS002153321; MLS006010974; BIDD:ER0001; SCHEMBL505561; BMK1-C11; cid_667639; MEGxp0_000245; DTXSID6040587; REGID_for_CID_667639; Stilbene-3,3',4,5'-tetrol; CHEBI:92460; ZINC14036; HMS1362H21; HMS1792H21; HMS1990H21; HMS2236B03; HMS3262H12; HMS3403H21; HMS3412J21; HMS3676J21; ML027; Tox21_500915; 3,3'',4,5''-tetrahydroxystilbene; BDBM50045936; LMPK13090006; s3026; 3,4,3'',5''-tetrahydroxystillbene; AKOS015914951; AC-5281; CCG-100627; CS-5657; DB08399; FC-5001; FD18005; LP00915; NSC-622471; SDCCGSBI-0050890.P002; IDI1_002155; SMP2_000263; trans-3,3',4,5'-Tetrahydroxystilbene; 3,4,3',5'-tetrahydroxy-trans-stilbene; NCGC00094226-01; NCGC00094226-02; NCGC00094226-03; NCGC00094226-04; NCGC00094226-05; NCGC00094226-06; NCGC00094226-07; NCGC00094226-20; NCGC00261600-01; AS-18099; HY-13518; trans-3,3'',4,5''-tetrahydroxystilbene; 3,4,3'',5''-tetrahydroxy-trans-stilbene; EU-0100915; N2031; P1928; SW219501-1; W2087; C05901; K00089; P 0453; 339P713; A800279; 1, 4-[2-(3,5-dihydroxyphenyl)ethenyl]-, (E)-; CU-00000000400-1; J-000228; Q7190608; SR-01000076056-1; SR-01000076056-6; SR-01000076056-9; BRD-K91509126-001-04-6; BRD-K91509126-001-05-3; (E)-4-[2-(3,5Dihydroxyphenyl)ethenyl]1,2-benzenediol; F13BE9BB-B7D7-4D40-B31A-C15B953E033D; (E)-4-[2-(3,5-Dihydroxyphenyl)ethenyl]1,2-benzenediol; 4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol; 5-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]benzene-1,3-diol; 1,2-Benzenediol, 4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-; 4-[2-(3,5-dihydroxyphenyl)-(E)-1-ethenyl]-1,2-benzenediol; 4-[(E)-2-(3,5-dihydroxyphenyl)vinyl]benzene-1,2-diol(Piceatannol); 4-[2-(3,5-dihydroxyphenyl)-(E)-1-ethenyl]-1,2-benzenediol(Piceatannol); (E)-4-[2-(3,5Dihydroxyphenyl)ethenyl]1,2-benzenediol, 3,3',4,5'-Tetrahydroxy-trans-stilbene; (E)-4-[2-(3,5Dihydroxyphenyl)ethenyl]1,2-benzenediol, 3,3a 4,5a Tetrahydroxy-trans-stilbene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	365798	.	.	.	.	244.24	C14H12O4	80.9	282	2.9	18	4	4	2	"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+"	C1=CC(=C(C=C1/C=C/C2=CC(=CC(=C2)O)O)O)O	CDRPUGZCRXZLFL-OWOJBTEDSA-N
DG60658	4-(4-Dimethylaminostyryl)quinoline	668053	"4-(4-DIMETHYLAMINOSTYRYL)QUINOLINE; 897-55-2; 4M20; X 87; 4-(p-Dimethylaminostyryl)quinoline; NSC-4236; UNII-68S3S367YF; 4-(p-(Dimethylamino)styryl)quinoline; Quinoline, 4-(p-(dimethylamino)styryl)-; Quinoline, 4-[p-(dimethylamino)styryl]-; NSC-10482; NSC4236; 68S3S367YF; N,N-Dimethyl-4-(2-(quinolin-4-yl)vinyl)aniline; Benzenamine, N,N-dimethyl-4-(2-(4-quinolinyl)ethenyl)-; Benzenamine, N,N-dimethyl-4-[2-(4-quinolinyl)ethenyl]-; N,N-dimethyl-4-[(E)-2-(4-quinolyl)vinyl]aniline; 4-[p-(Dimethylamino)styryl]quinoline; 2-(4-N,N-(Dimethylamino)styryl)quinoline; 2-[4-N,N-(Dimethylamino)styryl]quinoline; HSDB 5518; NSC 4236; 2-(4-N,N-Dimethylaminostyryl)quinoline; AI3-26406; Cambridge id 5271717; 4M2O; CHEMBL1884481; DTXSID2061270; ZINC27997; 4-[p-Dimethylamino]styrylquinoline; 4-(4-Dimethylaminostyryl)quinoline ,; 4-[4-(Dimethylamino)styryl]quinoline; AKOS015850774; Quinoline, 4-(p-dimethylaminostyryl)-; WLN: T66 BNJ E1U1R DN1&1; NCGC00184045-01; NCGC00184045-02; NCGC00184045-03; NCGC00184045-04; NCGC00184045-05; NCGC00184045-06; NCGC00184045-07; NCGC00184045-08; NCGC00184045-09; NCGC00184045-10; NCGC00184045-11; NCGC00184045-12; NCGC00184045-13; NCGC00184045-14; NCGC00184045-15; NCGC00184045-16; NCGC00184045-17; NCGC00184045-18; NCGC00184045-19; NCGC00184045-20; NCGC00184045-21; NCGC00184045-22; NCGC00184045-23; NCGC00184045-24; NCGC00184045-25; NCGC00184045-26; NCGC00184045-27; NCGC00184045-28; NCGC00184045-29; Quinoline, 4-(4-N,N-dimethylaminostyryl); 4M-20; AB00078544-01; A843298; AE-848/00962031; (E)-N,N-dimethyl-4-(2-(quinolin-4-yl)vinyl)aniline; Benzenamine,N-dimethyl-4-[2-(4-quinolinyl)ethenyl]-; Q27264272; N,N-dimethyl-N-{4-[2-(4-quinolinyl)vinyl]phenyl}amine; N,N-Dimethyl-4-[(E)-2-(4-quinolinyl)ethenyl]aniline #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4236	.	.	.	.	274.4	C19H18N2	16.1	342	4.6	21	0	2	3	"InChI=1S/C19H18N2/c1-21(2)17-11-8-15(9-12-17)7-10-16-13-14-20-19-6-4-3-5-18(16)19/h3-14H,1-2H3/b10-7+"	CN(C)C1=CC=C(C=C1)/C=C/C2=CC=NC3=CC=CC=C23	CIXDQQGMRYRUQA-JXMROGBWSA-N
DG60659	"3-amino-N-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide"	680201	"3-amino-N-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide; ChemDiv3_002438; Oprea1_580815; Oprea1_852662; Salor-int l225207-1ea; SCHEMBL429261; CHEMBL3758324; ZINC44744; HMS1479O18; NSC775441; STK765772; AKOS001659819; MCULE-1719165469; NSC-775441; J3.621.536D; SR-01000463522; SR-01000463522-1; BRD-K34781627-001-01-1; N-Phenyl-3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775441	.	.	.	.	337.4	C19H19N3OS	96.2	454	5	24	2	4	2	"InChI=1S/C19H19N3OS/c20-16-14-11-12-7-3-1-6-10-15(12)22-19(14)24-17(16)18(23)21-13-8-4-2-5-9-13/h2,4-5,8-9,11H,1,3,6-7,10,20H2,(H,21,23)"	C1CCC2=CC3=C(N=C2CC1)SC(=C3N)C(=O)NC4=CC=CC=C4	XLUWDRNECAPOQW-UHFFFAOYSA-N
DG60660	"2-Phenyl-1,2,4-triazaspiro[4.6]undecane-3-thione"	683248	"2-Phenyl-1,2,4-triazaspiro[4.6]undecane-3-thione; 39263-82-6; NSC328130; UNII-64C9BV8LPJ; 64C9BV8LPJ; MLS003170726; 2-Phenyl-1,2,4-triazaspiro(4.6)undecane-3-thione; 3-phenyl-1,3,4-triazaspiro[4.6]undecane-2-thione; NSC 328130; ChemDiv1_025614; CHEMBL1982747; HMS659M06; DTXSID40192514; HMS1662M03; ZINC138492; CCG-45801; STK847161; STL483140; AKOS000352462; AKOS005628654; MCULE-8210105256; NSC-328130; NCI60_002850; SMR001874645; DS-004352; AG-205/37007393; SR-01000516930; SR-01000516930-1; SR-01000635549-1; 2-phenyl-1,2,4-triazaspiro[4.6]undec-3-ene-3-thiol; 1,2,4-Triazoline-3-thiol, 2-phenyl-5-spiro-cycloheptyl-; 2-Phenyl-1,2,4-triazaspiro[4.6]undec-3-en-3-yl hydrosulfide #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328130	.	.	.	.	261.39	C14H19N3S	59.4	304	3.5	18	2	2	1	"InChI=1S/C14H19N3S/c18-13-15-14(10-6-1-2-7-11-14)16-17(13)12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,15,18)"	C1CCCC2(CC1)NC(=S)N(N2)C3=CC=CC=C3	ZSEZANMTGPZRIF-UHFFFAOYSA-N
DG60661	"Thiazolo(3,2-a)benzimidazol-3(2H)-one, 2-((2-hydroxyphenyl)methylene)-"	683298	"NSC634479; Thiazolo(3,2-a)benzimidazol-3(2H)-one, 2-((2-hydroxyphenyl)methylene)-; 2-((2-Hydroxyphenyl)methylene)thiazolo(3,2-a)benzimidazol-3(2H)-one; 41776-82-3; BRN 0280247; 4-27-00-07851 (Beilstein Handbook Reference); CHEMBL2002526; DTXSID70194607; 2-(2-Hydroxybenzylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one; STL455155; ZINC12375317; AKOS001733005; NSC-634479; Thiazolo[3.2-a]benzimidazol-3(2H)-one, 2-(2-hydroxybenzylideno)-; (2Z)-2-(2-Hydroxybenzylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one; (2Z)-2-[(2-hydroxyphenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one; (2Z)-2-(2-Hydroxybenzylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634479	.	.	.	.	294.3	C16H10N2O2S	80.4	467	3.7	21	1	4	1	"InChI=1S/C16H10N2O2S/c19-13-8-4-1-5-10(13)9-14-15(20)18-12-7-3-2-6-11(12)17-16(18)21-14/h1-9,19H/b14-9-"	C1=CC=C(C(=C1)/C=C\\2/C(=O)N3C4=CC=CC=C4N=C3S2)O	HOTBCGMFEULSFG-ZROIWOOFSA-N
DG60662	4-Chloro-2-[5-(2-chloro-phenyl)-1H-pyrazol-3-yl]-phenol	685709	CHEMBL1442717; SMR000123023; MLS000035498; 4-Chloro-2-[5-(2-chloro-phenyl)-1H-pyrazol-3-yl]-phenol; HMS2409D21; BDBM50147986; NSC767874; ZINC13130770; AKOS000603367; MCULE-7617462188; NSC-767874; SR-01000524606; SR-01000524606-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767874	.	.	.	.	305.2	C15H10Cl2N2O	48.9	331	4.4	20	2	2	2	"InChI=1S/C15H10Cl2N2O/c16-9-5-6-15(20)11(7-9)14-8-13(18-19-14)10-3-1-2-4-12(10)17/h1-8,20H,(H,18,19)"	C1=CC=C(C(=C1)C2=CC(=NN2)C3=C(C=CC(=C3)Cl)O)Cl	ZMXHUXDIJUDGPM-UHFFFAOYSA-N
DG60663	"3-Hydroxy-3',4',5'-trimethoxyflavone"	688827	"3',4',5'-Trimethoxyflavonol; 3-HYDROXY-3',4',5'-TRIMETHOXYFLAVONE; SCHEMBL4649257; CHEMBL1999102; ZINC57874; 3',5'-trimethoxy-3-hydroxy flavone; AKOS024285577; MCULE-6339354365; NSC-328186; 3-hydroxy-3',4',5'-trimethoxyflavone, AldrichCPR; Q63409789; 2-(3,4,5-Trimethoxyphenyl)-3-hydroxy-4H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 3-hydroxy-2-(3,4,5-trimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328186	.	.	.	.	328.3	C18H16O6	74.2	488	3.3	24	1	6	4	"InChI=1S/C18H16O6/c1-21-13-8-10(9-14(22-2)18(13)23-3)17-16(20)15(19)11-6-4-5-7-12(11)24-17/h4-9,20H,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=CC=CC=C3O2)O	MWFLTXAQDCOKEK-UHFFFAOYSA-N
DG60664	Caffeic acid	689043	"caffeic acid; 3,4-Dihydroxycinnamic acid; 331-39-5; 501-16-6; trans-caffeic acid; 3,4-Dihydroxybenzeneacrylic acid; 3-(3,4-dihydroxyphenyl)acrylic acid; (E)-3-(3,4-dihydroxyphenyl)acrylic acid; (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; Cinnamic acid, 3,4-dihydroxy-; (E)-3,4-dihydroxycinnamic acid; trans-Caffeate; Caffeate; 3,4-Dihydroxy-trans-cinnamate; Caffeicacid; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-; 3-(3,4-Dihydroxyphenyl)propenoic acid; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; UNII-U2S3A33KVM; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid; 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene; NSC 57197; 3-(3,4-Dihydroxy phenyl)-2-propenoic acid; CHEMBL145; U2S3A33KVM; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-; AI3-63211; MLS000069738; CHEBI:16433; 3,4-Dihydroxycinnamic acid, predominantly trans; NSC57197; MFCD00004392; NSC-57197; NSC-623438; SMR000058214; (2E)-3-(3,4-dihydroxyphenyl)acrylic acid; 71693-97-5; Caffeic acid - Natural; CCRIS 847; HSDB 7088; SR-01000000203; EINECS 206-361-2; Caffeic acid dehydrogenation homopolymer; CHEBI:36281; trans-3,4-Dihydroxycinnamic Acid; caffeic-acid; Caffeic acid pure; Caffeic acid, 1; Caffeic acid polymer; Caffeic Acid,(S); Caffeic acid, trans-; 3,4-dihydroxycinnamate; CAFFEIC ACID natural; Opera_ID_1700; Cinnamic acid,4-dihydroxy-; 3,4-Dihydroxybenzeneacrylate; SCHEMBL23358; MLS001076493; MLS002207132; MLS002222302; MLS006011849; BIDD:ER0456; SPECTRUM1503987; 2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, (2E)-; 3,4-Dihydroxycinnamate, XVII; BDBM4375; cid_689043; GTPL5155; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer; ZINC58172; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer; AMY3943; HMS2235G09; HMS3260J17; HMS3649O17; ACN-S002765; BCP28271; HY-N0172; Tox21_500208; BBL012113; Caffeic Acid - CAS 331-39-5; CCG-38895; NSC623438; s2277; STK397812; Caffeic acid, >=98.0% (HPLC); 2-Propenoic acid,4-dihydroxyphenyl)-; AKOS000144463; AC-8006; ACN-035473; CS-8205; DB01880; LP00208; SDCCGMLS-0002982.P003; SDCCGSBI-0050196.P004; NCGC00017364-04; NCGC00017364-05; NCGC00017364-06; NCGC00017364-07; NCGC00017364-08; NCGC00017364-09; NCGC00017364-10; NCGC00017364-11; NCGC00017364-12; NCGC00017364-13; NCGC00017364-22; NCGC00022654-03; NCGC00022654-04; NCGC00022654-05; NCGC00022654-06; NCGC00022654-07; NCGC00022654-08; NCGC00022654-09; NCGC00260893-01; AS-10895; BP-30112; SMR004703501; XC164210; Caffeic acid, purum, >=95.0% (HPLC); AB00490047; EU-0100208; N1735; SW197202-3; 2-Morpholin-4-yl-isonicotinicacidhydrochloride; C 0625; C-1500; C01197; C01481; (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer; 331C395; A851723; Q414116; SR-01000000203-2; SR-01000000203-6; SR-01000000203-7; SR-01000000203-8; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI); BRD-K09900591-001-06-9; SR-01000000203-13; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (2E)-; F3096-1708; 8B3E4DA7-F3B0-4972-A315-2E387071737F; trans-Caffeic acid, certified reference material, TraceCERT(R); Caffeic acid, matrix substance for MALDI-MS, >=99.0% (HPLC); Caffeic acid, United States Pharmacopeia (USP) Reference Standard; Caffeic acid, matrix substance for MALDI-MS, >=99.0% (HPLC), powder, light beige; 331-89-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	57197	.	.	.	.	180.16	C9H8O4	77.8	212	1.2	13	3	4	2	"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+"	C1=CC(=C(C=C1/C=C/C(=O)O)O)O	QAIPRVGONGVQAS-DUXPYHPUSA-N
DG60665	"Hydrazinecarbothioamide, 2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-"	690109	"487-16-1; 2-(2-oxo-1,2-dihydro-3H-indol-3-yliden)-1-hydrazinecarbothioamide; Hydrazinecarbothioamide, 2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-; 1H-indole-2,3-dione 3-thiosemicarbazone; 2,3-Indoledione 3-thiosemicarbazone; Isatin thiosemicarbazone; Isatin 3-thiosemicarbazone; [(2-oxoindol-3-yl)amino]thiourea; Isatin beta-thiosemicarbazone; 2-(2-Oxoindolin-3-ylidene)hydrazinecarbothioamide; (2-hydroxy-1H-indol-3-yl)iminothiourea; NSC 721; isatin-3-thiosemicarbazone; GS 1752; MLS000595029; CHEMBL333137; 27830-79-1; (3Z)-1H-indole-2,3-dione 3-thiosemicarbazone; MFCD00043581; (Z)-2-(2-oxoindolin-3-ylidene)hydrazinecarbothioamide; SMR000184416; (2Z)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide; Hydrazinecarbothioamide, 2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-,(2Z)-; IBT; Isatin-beta-thiosemicarbazone; Isatizon; EINECS 207-650-6; (1,2-Dihydro-2-oxo-3H-indol-3-al) thiosemicarbazone; Indole-2,3-dione, 3-(thiosemicarbazone); AI3-51987; 3-isatin thiosemicarbazone; Isatin, 3-thiosemicarbazone; isatin-3-isothiosemicarbazone; SCHEMBL98437; CBDivE_001125; Isatin beta.-thiosemicarbazone; CHEMBL240095; Isatin .beta.-thiosemicarbazone; Isatin-.beta.-thiosemicarbazone; NSC721; CHEMBL1495416; DTXSID5060067; SCHEMBL10084821; SCHEMBL23483885; BDBM78648; cid_5354107; NSC-721; Indole-2, 3-(thiosemicarbazone); HMS1578G07; HMS2512O10; [(2-oxo-3-indolyl)amino]thiourea; [(2-ketoindol-3-yl)amino]thiourea; ALBB-031655; 4212AE; BDBM50133615; STK008099; STL115046; ZINC16155529; AKOS000484002; AKOS003627931; AKOS015855829; AKOS025310054; 2,3-Indoledione 3-(thiosemicarbazone); CCG-245002; MCULE-6620092921; NCGC00245548-01; CS-0336068; FT-0609745; [(Z)-(2-oxoindolin-3-ylidene)amino]thiourea; 1-[(2-oxidanylideneindol-3-yl)amino]thiourea; AB01209736-01; A918224; AE-641/01080004; 11R-1254; J-502585; (E)-2-(2-oxoindolin-3-ylidene)hydrazinecarbothioamide; F1577-0011; (Z)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbothioamide; (2E)-2-(2-hydroxy-3H-indol-3-ylidene)hydrazinecarbothioamide; {[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea; 2-(1,2-Dihydro-2-oxo-3H-indol-3-ylidene)hydrazinecarbothioamide; 3H-Indole, 3-[2-(aminocarbonothioyl)hydrazono]-1,2-dihydro-2-oxo-; Hydrazinecarbothiamide, 2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-; 2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazine-1-carbothioamide; 2-(2-Oxo-1,2-dihydro-3H-indol-3-yliden)-1-hydrazinecarbothioamide, AldrichCPR; zinc bis{N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]hydrazonothiocarbamate}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721	.	.	.	.	220.25	C9H8N4OS	119	283	2.1	15	3	3	1	"InChI=1S/C9H8N4OS/c10-9(15)13-12-7-5-3-1-2-4-6(5)11-8(7)14/h1-4,11,14H,(H2,10,15)"	C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)N	PEYNLAQGUNUQLY-UHFFFAOYSA-N
DG60666	"4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine"	691643	"GNF-Pf-5300; Oprea1_059381; Oprea1_069149; CHEMBL1198347; 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine; NSC766775; STK662230; AKOS005525659; MCULE-1124912420; NSC-766775"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766775	.	.	.	.	308.4	C19H20N2S	53.2	361	5.9	22	1	3	3	"InChI=1S/C19H20N2S/c1-12-5-6-14(3)17(9-12)18-11-22-19(21-18)20-16-8-7-13(2)15(4)10-16/h5-11H,1-4H3,(H,20,21)"	CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC3=CC(=C(C=C3)C)C	APCPGRSHWZYJEA-UHFFFAOYSA-N
DG60667	5-nitro-N-(pyridin-3-ylmethyl)furan-2-carboxamide	693996	ccci-01; 5-nitro-N-(pyridin-3-ylmethyl)furan-2-carboxamide; 215778-97-5; N2-(3-pyridylmethyl)-5-nitro-2-furamide; MLS000765391; SMR000289496; SR-01000406820; CCCI01; Cambridge id 5243472; Oprea1_196420; CCCI 01; cid_693996; CHEMBL1370879; SCHEMBL15281359; SCHEMBL17210269; BDBM49812; ZINC66714; HMS2609O13; CCG-15725; NSC752506; STK023465; AKOS000435348; MCULE-4625598854; NSC-752506; NCGC00487318-02; 5-nitro-N-(3-pyridylmethyl)-2-furamide; 5-nitro-N-(3-pyridinylmethyl)-2-furamide; Centrosome Clustering Chemical Inhibitor-01; 5-nitro-N-(3-pyridinylmethyl)-2-furancarboxamide; AP-970/40723671; SR-01000406820-1; SR-01000406820-2; SR-01000406820-4; 5-nitro-N-((pyridin-3-yl)methyl)furan-2-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752506	.	.	.	.	247.21	C11H9N3O4	101	318	1.2	18	1	5	3	"InChI=1S/C11H9N3O4/c15-11(9-3-4-10(18-9)14(16)17)13-7-8-2-1-5-12-6-8/h1-6H,7H2,(H,13,15)"	C1=CC(=CN=C1)CNC(=O)C2=CC=C(O2)[N+](=O)[O-]	OBZHOVWNZIVCCZ-UHFFFAOYSA-N
DG60668	Guaiacol cinnamate	695688	Guaiacol cinnamate; 2-Methoxyphenyl cinnamate; UNII-8G261E69SI; 531-40-8; NSC700129; 2-Methoxyphenyl 3-phenylacrylate; (2-methoxyphenyl) (E)-3-phenylprop-2-enoate; 8G261E69SI; Styracol; EINECS 208-508-6; SCHEMBL9065919; CHEMBL1971991; Cinnamic acid 2-methoxyphenyl ester; ZINC12584419; AKOS002256459; NSC-700129; SR-01000196384; SR-01000196384-1; Q27270365	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700129	.	.	.	.	254.28	C16H14O3	35.5	305	3.5	19	0	3	5	"InChI=1S/C16H14O3/c1-18-14-9-5-6-10-15(14)19-16(17)12-11-13-7-3-2-4-8-13/h2-12H,1H3/b12-11+"	COC1=CC=CC=C1OC(=O)/C=C/C2=CC=CC=C2	SYKAZDSPTNFPJX-VAWYXSNFSA-N
DG60669	"N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine"	697239	"GNF-Pf-2534; MLS000589387; CHEMBL579105; HMS2551M23; MMV006319; NSC766613; STK839477; AKOS005624827; MCULE-1838303736; NSC-766613; SMR000212833; EU-0011388; N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine; N*2*-Benzyl-N*4*-(3-fluoro-phenyl)-6-methyl-pyrimidine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766613	.	.	.	.	308.4	C18H17FN4	49.8	348	4.4	23	2	5	5	"InChI=1S/C18H17FN4/c1-13-10-17(22-16-9-5-8-15(19)11-16)23-18(21-13)20-12-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H2,20,21,22,23)"	CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NC3=CC(=CC=C3)F	CTOCGJNJJGMVFB-UHFFFAOYSA-N
DG60670	4-Methoxy-beta-nitrostyrene	697963	"4-Methoxy-beta-nitrostyrene; 3179-10-0; 5576-97-6; 1-methoxy-4-(2-nitrovinyl)benzene; (E)-1-methoxy-4-(2-nitrovinyl)benzene; 1-Methoxy-4-[(E)-2-nitroethenyl]benzene; p-(2-Nitrovinyl)anisole; 1-(4-Methoxyphenyl)-2-nitroethylene; trans-4-Methoxy-beta-nitrostyrene; 2'-Nitro vinyl anisole; 4-(2-Nitrovinyl)anisole; 1-(4-methoxyphenyl)-2-nitroethene; 4-Methoxy-.beta.-nitrostyrene; CHEMBL231046; trans-4-Methoxy- -nitrostyrene; Ethene,-1-(4-methoxyphenyl)-2-nitro; 1-methoxy-4-((e)-2-nitrovinyl)benzene; 1-methoxy-4-[(E)-2-nitrovinyl]benzene; 4-methoxy-B-nitrostyrene; Benzene, 1-methoxy-4-[(1E)-2-nitroethenyl]-; 1-methoxy-4-(2-nitroethenyl)benzene; Benzene, 1-methoxy-4-(2-nitroethenyl)-; NSC23856; Anisylidenenitromethane; P-Methoxy-b-nitrostyrene; 4-Methoxy-w-nitrostyrene; p-Methoxy-ss-nitrostyrene; 4-Methoxy-ss-nitrostyrene; p-(2-Nitrovinyl)-nisole; p-(2-Nitrovinyl)-Anisole; beta-Nitro-4-methoxystyrene; Cambridge id 5102117; p-methoxy-beta-nitro-styrene; 4-Methoxy-omega-nitrostyrene; 4'-methoxy-beta-nitrostyrene; Anisole, p-(2-nitrovinyl)-; p-Methoxy-.beta.-nitrostyrene; SCHEMBL491094; trans-4-methoxy-b-nitrostyrene; AMBZ0222; 4-Methoxy-.omega.-nitrostyrene; ZINC74770; (E)-4-Methoxy-beta-nitrostyrene; DTXSID00879773; CHEBI:173843; BDBM512801; acs.jmedchem.1c00409_ST.396; 1-Nitro-2-(4-methoxyphenyl)ethene; 2-(4-Methoxyphenyl)-1-nitroethene; ANM100780; BDBM50561061; CCG-55215; MFCD00024826; NSC 23856; NSC-23856; STK364327; AKOS000271128; AKOS015916742; 1-Methoxy-4-(2-nitroethenyl)-Benzene; AM85818; MCULE-2310078898; TRANS-4-METHOXY-SS-NITROSTYRENE; 1-Methoxy-4-[2-nitroethenyl]benzene #; 4-Methoxy-laquo Omegaraquo -nitrostyrene; trans-4-Methoxy-beta-nitrostyrene, 99%; AS-19737; BP-10724; LS-13603; 1-(4-Methoxyphenyl)-2-(E)-nitroethylene; trans-1-methoxy-4-(2-nitrovinyl) benzene; BB 0218431; CS-0150432; Y6294; Benzene, 1-methoxy-4-[(E)-2-nitroethenyl]-; F13726; A820999; A870101; SR-01000644253; SR-01000644253-1; SR-01000644253-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23856	.	.	.	.	179.17	C9H9NO3	55	190	2.2	13	0	3	2	"InChI=1S/C9H9NO3/c1-13-9-4-2-8(3-5-9)6-7-10(11)12/h2-7H,1H3/b7-6+"	COC1=CC=C(C=C1)/C=C/[N+](=O)[O-]	JKQUXSHVQGBODD-VOTSOKGWSA-N
DG60671	"Urea, 1-benzoyl-3-(4-chlorophenyl)-2-thio-"	701011	"4921-83-9; N-[(4-chlorophenyl)carbamothioyl]benzamide; USAF K-1477; Benzamide, N-(p-chlorophenyl)thiocarbamoyl-; Urea, 1-benzoyl-3-(4-chlorophenyl)-2-thio-; 3-Benzoyl-1-(p-chlorophenyl)-2-thiourea; MLS000736523; CHEMBL1450561; n-benzoyl-n'-(4-chlorophenyl)thiourea; N-[(4-Chlorophenylamino)(thiocarbonyl)]benzamide; N-((4-chlorophenyl)carbamothioyl)benzamide; NSC 5816; BRN 2136166; NSC5816; CBMicro_029609; Urea, 1-benzoyl-3-(p-chlorophenyl)-2-thio-; WLN: GR DMYUS&MVR; N-{[(4-chlorophenyl)amino]carbonothioyl}benzamide; 3-12-00-01369 (Beilstein Handbook Reference); Benzamide, N-[[(4-chlorophenyl)amino]thioxomethyl]-; Urea, 1-benzoyl-3-(p-chlorophenyl)-2-thio- (8CI); DTXSID20197724; HMS2856F10; NSC-5816; ZINC5848825; BDBM50443474; STK091056; AKOS000493240; MCULE-9756968355; NCGC00246840-01; SMR000528058; BIM-0029442.P001; 1-BENZOYL-3-(4-CHLOROPHENYL)THIOUREA; AE-848/01044004; SR-01000415980; SR-01000415980-1; F0331-0122; Benzamide, N-(((4-chlorophenyl)amino)thioxomethyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5816	.	.	.	.	290.8	C14H11ClN2OS	73.2	323	4.6	19	2	2	2	"InChI=1S/C14H11ClN2OS/c15-11-6-8-12(9-7-11)16-14(19)17-13(18)10-4-2-1-3-5-10/h1-9H,(H2,16,17,18,19)"	C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)Cl	IZEIGTLVMJBUQC-UHFFFAOYSA-N
DG60672	8-(Cinnamoyloxy)quinoline	701842	"NSC646913; 8-(Cinnamoyloxy)quinoline; quinolin-8-yl (E)-3-phenylprop-2-enoate; MLS000768486; CHEMBL1337947; ZINC83263; CHEBI:107144; HMS2783O20; STK182880; AKOS003658481; NSC-646913; 3-Phenylpropenoic acid 8-quinolyl ester; 8-quinolyl (E)-3-phenylprop-2-enoate; SMR000431808; quinolin-8-yl (2E)-3-phenylprop-2-enoate; (E)-3-Phenyl-acrylic acid quinolin-8-yl ester; 2-Propenoic acid, 3-phenyl-, 8-quinolinyl ester, (2E)-; 798572-96-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646913	.	.	.	.	275.3	C18H13NO2	39.2	373	4.1	21	0	3	4	InChI=1S/C18H13NO2/c20-17(12-11-14-6-2-1-3-7-14)21-16-10-4-8-15-9-5-13-19-18(15)16/h1-13H/b12-11+	C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=CC3=C2N=CC=C3	MGYIGSPQIHQSAA-VAWYXSNFSA-N
DG60673	Methyl (3-oxo-5-phenyl-2(3H)-furanylidene)acetate	703028	"Methyl (3-oxo-5-phenyl-2(3H)-furanylidene)acetate; methyl (2E)-2-(3-oxo-5-phenylfuran-2-ylidene)acetate; 97180-95-5; NSC674912; CHEMBL1964650; ZINC85583; HMS1530P03; Acetic acid, (3-oxo-5-phenyl-2(3H)-furanylidene)-, methyl ester; CCG-251212; NSC-674912; NCGC00175777-01; methyl 3-oxo-5-phenylfuran-2(3h)-ylideneacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674912	.	.	.	.	230.22	C13H10O4	52.6	386	1.8	17	0	4	3	"InChI=1S/C13H10O4/c1-16-13(15)8-12-10(14)7-11(17-12)9-5-3-2-4-6-9/h2-8H,1H3/b12-8+"	COC(=O)/C=C/1\\C(=O)C=C(O1)C2=CC=CC=C2	BNDXBUTZZWDWHM-XYOKQWHBSA-N
DG60674	Ethyl 4-[(4-acetylphenyl)amino]-8-methylquinoline-3-carboxylate	705510	GNF-Pf-5409; CHEMBL586178; ZINC90680; ethyl 4-[(4-acetylphenyl)amino]-8-methylquinoline-3-carboxylate; MFCD02966545; MMV006250; NSC766690; AKOS001673674; MCULE-3194473673; NSC-766690; NCGC00273612-02; EU-0013876; AB01312777-01; SR-01000111378; SR-01000111378-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766690	.	.	.	.	348.4	C21H20N2O3	68.3	502	4.6	26	1	5	6	"InChI=1S/C21H20N2O3/c1-4-26-21(25)18-12-22-19-13(2)6-5-7-17(19)20(18)23-16-10-8-15(9-11-16)14(3)24/h5-12H,4H2,1-3H3,(H,22,23)"	CCOC(=O)C1=C(C2=CC=CC(=C2N=C1)C)NC3=CC=C(C=C3)C(=O)C	INBPMTNLYMLYAC-UHFFFAOYSA-N
DG60675	1-[(2-Ketoindol-3-yl)amino]-3-(p-tolyl)thiourea	707890	"NSC668502; MLS000760038; 1H-indole-2,3-dione 3-[N-(4-methylphenyl)thiosemicarbazone]; SMR000370142; 1H-Indole-2,3-dione 3-(N-(4-methylphenyl)thiosemicarbazone); 1-[(2-ketoindol-3-yl)amino]-3-(p-tolyl)thiourea; SCHEMBL469802; 1-(4-methylphenyl)-3-[(2-oxoindol-3-yl)amino]thiourea; CHEMBL1596985; CHEMBL1762442; SCHEMBL23483679; BDBM57990; cid_5465947; HMS2656C08; STK027362; ZINC03890091; ZINC03890093; AKOS000485234; AKOS003236090; AKOS030745495; ZINC100004413; MCULE-3315783542; NSC-668502; NCI60_023932; AN-329/40250405; 1-(4-methylphenyl)-3-[(2-oxo-3-indolyl)amino]thiourea; 1-[(Z)-(2-oxoindolin-3-ylidene)amino]-3-(p-tolyl)thiourea; (3Z)-1H-indole-2,3-dione 3-[N-(4-methylphenyl)thiosemicarbazone]; 1-(4-methylphenyl)-3-[(2-oxidanylideneindol-3-yl)amino]thiourea; (2E)-N-(4-methylphenyl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668502	.	.	.	.	310.4	C16H14N4OS	105	422	4.4	22	3	3	2	"InChI=1S/C16H14N4OS/c1-10-6-8-11(9-7-10)17-16(22)20-19-14-12-4-2-3-5-13(12)18-15(14)21/h2-9,18,21H,1H3,(H,17,22)"	CC1=CC=C(C=C1)NC(=S)N=NC2=C(NC3=CC=CC=C32)O	RBMZNGCBFOXSBC-UHFFFAOYSA-N
DG60676	1-Benzoyl-3-(2-pyridyl)-2-thiourea	708470	"4921-86-2; 1-Benzoyl-3-(2-pyridyl)-2-thiourea; N-(pyridin-2-ylcarbamothioyl)benzamide; 1-benzoyl-3-(pyridin-2-yl)thiourea; n-benzoyl-n'-(2-pyridyl)thiourea; N-Benzoyl-N'-(2-pyridinyl)thiourea; NSC176367; UNII-9XTE4E1837; MLS000756392; 9XTE4E1837; NSC 176367; Maybridge1_007196; Oprea1_750915; SCHEMBL2682648; CHEMBL1423257; HMS561P02; DTXSID80197725; 1-Benzoyl-3-(2-pyridyl)thiourea; 1-benzoyl-3-(pyridyl)-2-thiourea; N-(2-pyridylcarbamothioyl)benzamide; ZINC5581974; CCG-51079; MFCD00060529; STK869718; AKOS000601666; MCULE-7778644435; NSC-176367; NCGC00246763-01; AC-27244; SMR000528710; UPCMLD0ENAT0400-1502:001; CS-0235815; FT-0635484; benzamide, n-[(2-pyridinylamino)thioxomethyl]; EN300-16163; benzamide, n-[(2-pyridinylamino)thioxomethyl]-; A827679; S 02172; SR-01000396948; SR-01000396948-1; SR-01000396948-2; F0016-0129; N-(2-pyridylcarbamothioyl)benzamide;N-(Pyridin-2-ylcarbamothioyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176367	.	.	.	.	257.31	C13H11N3OS	86.1	303	2.8	18	2	3	2	"InChI=1S/C13H11N3OS/c17-12(10-6-2-1-3-7-10)16-13(18)15-11-8-4-5-9-14-11/h1-9H,(H2,14,15,16,17,18)"	C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=N2	PNBLAGJAUXZQTL-UHFFFAOYSA-N
DG60677	"2-Propenamide, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-"	709958	"NSC343039; CHEMBL1997009; ZINC100044; AKOS000960818; NSC-343039; 2-Propenamide, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	343039	.	.	.	.	297.1	C11H9BrN2O3	96.3	374	1.5	17	2	4	3	"InChI=1S/C11H9BrN2O3/c1-17-9-4-6(3-8(12)10(9)15)2-7(5-13)11(14)16/h2-4,15H,1H3,(H2,14,16)/b7-2+"	COC1=C(C(=CC(=C1)/C=C(\\C#N)/C(=O)N)Br)O	QRGSSWYQKGUUQU-FARCUNLSSA-N
DG60678	1-Methoxy-3-(2-nitrovinyl)benzene	710751	"1-Methoxy-3-(2-nitrovinyl)benzene; 3179-09-7; Anisole, m-(2-nitrovinyl)-; (E)-1-methoxy-3-(2-nitrovinyl)benzene; 3-Methoxy-beta-nitrostyrene; 55446-68-9; 3-Methoxy-b-nitrostyrene; 1-Methoxy-3-[(E)-2-nitroethenyl]benzene; 3-METHOXY-NITROSTYRENE; CHEMBL4747743; trans-3-Methoxy-beta-nitrosytrene; 1-methoxy-3-(2-nitroethenyl)benzene; 1-Methoxy-3-[(E)-2-nitrovinyl]benzene; Benzene, 1-methoxy-3-(2-nitroethenyl)-; NSC93425; Cyto9E7; Cambridge id 5102116; m-Methoxy-.beta.-nitrostyrene; SCHEMBL278627; 3-Methoxy-.beta.-nitrostyrene; m-Methoxy-.omega.-nitrostyrene; 3-[(E)-2-Nitrovinyl]anisole; HMS562C06; DTXSID00351822; ZINC101870; CS-M1346; 1-(3-Methoxyphenyl)-2-nitroethene; ANM102982; BDBM50561069; MFCD00024822; NSC-93425; NSC783919; AKOS003627706; NSC-783919; Ethene,-1-(3-methoxyphenyl)-2-nitro-; trans-3-Methoxy-beta-nitrosytrene, 97%; AS-38187; CS-0173388; A923889; AE-848/00888055; Benzene, 1-methoxy-3-(2-nitroethenyl)-, (E)-; J-018542"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783919	.	.	.	.	179.17	C9H9NO3	55	198	2.4	13	0	3	2	"InChI=1S/C9H9NO3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3/b6-5+"	COC1=CC=CC(=C1)/C=C/[N+](=O)[O-]	IJBGIPFDIABTKB-AATRIKPKSA-N
DG60679	7-chloro-N-(4-ethoxyphenyl)-4-quinolinamine	711950	GNF-Pf-3801; 7-chloro-N-(4-ethoxyphenyl)-4-quinolinamine; 7-chloro-N-(4-ethoxyphenyl)quinolin-4-amine; MLS000663769; CHEMBL597444; HMS2747H19; ZINC104171; MMV007285; NSC766790; STK770988; AKOS005617177; CCG-290084; MCULE-4456751107; NSC-766790; SMR000293058; N-(7-chloro-4-quinolyl)-N-(4-ethoxyphenyl)amine; 663939-96-6	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766790	.	.	.	.	298.8	C17H15ClN2O	34.2	320	2.7	21	1	3	4	"InChI=1S/C17H15ClN2O/c1-2-21-14-6-4-13(5-7-14)20-16-9-10-19-17-11-12(18)3-8-15(16)17/h3-11H,2H2,1H3,(H,19,20)"	CCOC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl	RDBXCICTXSDJIF-UHFFFAOYSA-N
DG60680	3-(Diallylaminomethyl)-indole	714712	"3-(diallylaminomethyl)-indole; 150462-35-4; N,N-diallyl-N-(1H-indol-3-ylmethyl)amine; N-(1H-indol-3-ylmethyl)-N-prop-2-enylprop-2-en-1-amine; N-((1H-indol-3-yl)methyl)-N-allylprop-2-en-1-amine; SMR000024462; ChemDiv2_003826; Oprea1_212391; Oprea1_249552; MLS000089844; CHEMBL1524292; DTXSID40351942; HMS1379N20; HMS2477M21; ZINC110337; NSC730608; STK955177; AKOS002266563; MCULE-1646073115; NSC-730608; IDI1_002541; EU-0008885; N-allyl-N-(1H-indol-3-ylmethyl)-2-propen-1-amine; F0918-1282; N-(1H-indol-3-ylmethyl)-N-(prop-2-en-1-yl)prop-2-en-1-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730608	.	.	.	.	226.32	C15H18N2	19	252	3.1	17	1	1	6	"InChI=1S/C15H18N2/c1-3-9-17(10-4-2)12-13-11-16-15-8-6-5-7-14(13)15/h3-8,11,16H,1-2,9-10,12H2"	C=CCN(CC=C)CC1=CNC2=CC=CC=C21	QCAGDBAHYRSLLN-UHFFFAOYSA-N
DG60681	"(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one"	715840	"(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one; 37951-12-5; 2051-07-2; Bis(4-Methoxybenzylidene)Acetone; 1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one; NSC677239; UNII-C1T5NW58W3; Go-Y013; C1T5NW58W3; CHEMBL584437; 1,5-di(4-methoxyphenyl)penta-1,4-dien-3-one; 1,4-Pentadien-3-one, 1,5-bis(4-methoxyphenyl)-; NSC-677239; 50764-85-7; Di-(4,4'-dimethoxy)-benzylidene-acetone; di-p-Anisylideneacetone; 1,4-Pentadien-3-one, 1,5-bis(p-methoxyphenyl)-; trans,trans-1,5-Bis(4-methoxyphenyl)-1,4-pentadien-3-one; 1,4-Pentadien-3-one, 1,5-bis(4-methoxyphenyl)-, (1E,4E)-; (1E,4E)-1,5-Bis(4-methoxyphenyl)-1,4-pentadien-3-one; NSC-401196; Dianisylideneacetone; 1,5-Bis(4-methoxyphenyl)-1,4-pentadien-3-one; Di(4-methoxystyryl) ketone; di(4-Methoxybenzylidene)acetone; MEGxp0_001779; SCHEMBL2744098; SCHEMBL2744101; bis-(4-Methoxybenzylidene)acetone; Bis[(E)-4-methoxystyryl] ketone; CHEBI:183767; HMS1552C13; ZINC112561; GO-Y-013; BBL002419; BDBM50488795; MFCD00014901; STK325157; AKOS001325277; AS03924; MCULE-5194913222; trans,trans-Bis(4-methoxybenzal)acetone; NCGC00336197-01; trans,trans-Bis(4-methoxystyryl) Ketone; AS-67184; AS-69064; B4467; trans,trans-Bis(4-methoxybenzylidene)acetone; W5872; 1,5-Bis(p-methoxyphenyl)-1,4-pentadien-3-one; AB01134828-03; A816101; A873973; 1,5-Bis-(4-methoxy-phenyl)-penta-1,4-dien-3-one; F0415-0075; (1E,4E)-1,5-bis(4-methoxyphenyl)-3-penta-1,4-dienone; (1E,4E)-1,5-Bis(4-methoxyphenyl)-1,4-pentadien-3-one #; NCGC00336197-02!(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677239	.	.	.	.	294.3	C19H18O3	35.5	348	4.1	22	0	3	6	"InChI=1S/C19H18O3/c1-21-18-11-5-15(6-12-18)3-9-17(20)10-4-16-7-13-19(22-2)14-8-16/h3-14H,1-2H3/b9-3+,10-4+"	COC1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=C(C=C2)OC	IOZVKDXPBWBUKY-LQIBPGRFSA-N
DG60682	"4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile"	716393	"4-(4-Methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile; NSC671804; 2-Mercapto-4-(4-methoxyphenyl)-6-phenylnicotinonitrile; 78564-17-7; 4-(4-methoxyphenyl)-6-phenyl-2-sulfanylpyridine-3-carbonitrile; 4-(4-methoxyphenyl)-6-phenyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile; TimTec1_001777; Oprea1_613284; Oprea1_814960; CHEMBL1983938; AETDFPIPBBHCQI-UHFFFAOYSA-; TQP1381; HMS1539A17; ZINC113939; STK089357; AKOS000487280; AKOS000813697; MCULE-3813724169; NSC-671804; NCI60_025372; J3.499.909K; AB00079215-01; AH-034/12055545; SR-01000508008; SR-01000508008-1; 3-cyano-4-(4-methoxyphenyl)-6-phenylpyridine-2(1h)-thione; 4-(4-methoxyphenyl)-6-phenyl-2-sulfanyl-pyridine-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671804	.	.	.	.	318.4	C19H14N2OS	77.1	569	3.5	23	1	3	3	"InChI=1S/C19H14N2OS/c1-22-15-9-7-13(8-10-15)16-11-18(14-5-3-2-4-6-14)21-19(23)17(16)12-20/h2-11H,1H3,(H,21,23)"	COC1=CC=C(C=C1)C2=C(C(=S)NC(=C2)C3=CC=CC=C3)C#N	AETDFPIPBBHCQI-UHFFFAOYSA-N
DG60683	"5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol"	717047	"32362-88-2; 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol; 1,2-Dihydro-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione; 5-pyridin-3-yl-1,2-dihydro-1,2,4-triazole-3-thione; 5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol; MFCD00207933; 4H-1,2,4-Triazole-3-thiol, 5-(3-pyridinyl)-; 5-pyridin-3-yl-4H-1,2,4-triazole-3-thiol; 3-Methyladipicacid; NSC625812; 3-(3-pyridyl)-1H-1,2,4-triazole-5-thiol; 5-(pyridin-3-yl)-1H-1,2,4-triazole-3-thiol; 5-pyridin-3-yl-4H-1,2,4-triazol-3-yl hydrosulfide; SCHEMBL1233176; SCHEMBL8008602; CHEMBL1968993; ALBB-012679; 3-pyridyl-1,2,4-triazole-5-thiol; CCG-48586; STK803296; STK877680; ZINC18177370; AKOS000267022; AKOS000295723; AKOS000593509; AKOS023363091; MCULE-3913904230; NSC-625812; NCI60_008097; 3-Mercapto-5(3-pyridyl)-1,2,4-triazole; 3-Mercapto-5-(3-pyridyl)-1,2,4-triazole; FT-0606408; EN300-52045; 3-(3-Pyridyl)-4H-1,2,4-triazole-5-thiol; 5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol; 5-pyridin-3-yl-2H-[1,2,4]triazole-3-thiol; AF-615/25002792; 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol 97%; 5-(pyridin-3-yl)-1H-[1,2,4]TRIAZOLE-3-thiol; J-018716; SR-01000638118-1; 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol, 97%; 3-(3-pyridyl)-1,4-dihydro-1,2,4-triazole-5-thione; 3-(Pyridin-3-yl)-1H-1,2,4-triazole-5(4H)-thione; 5-(Pyridin-3-yl)-1H-1,2,4-triazole-3(2H)-thione; Z1245635833; 5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625812	.	.	.	.	178.22	C7H6N4S	81.4	225	0.4	12	2	2	1	"InChI=1S/C7H6N4S/c12-7-9-6(10-11-7)5-2-1-3-8-4-5/h1-4H,(H2,9,10,11,12)"	C1=CC(=CN=C1)C2=NC(=S)NN2	GAYWCADKXYCKCG-UHFFFAOYSA-N
DG60684	(5Z)-5-[(4-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one	717424	"NSC684329; (5Z)-5-[(4-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one; 280137-25-9; 5-(4-Chlorobenzylidene)-2-thioxo-4-imidazolidinone; CHEMBL1964922; ZINC116024; BHT102893; STK415204; AKOS000268192; NSC 684329; NSC-684329; 5-((4-Chlorophenyl)methylene)-2-thiohydantoin; SR-01000013165; 4-(p-Chlorobenzylidene)-5-oxo-2-thioxoimidazolidine; SR-01000013165-1; (Z)-5-(4-chlorobenzylidene)-2-thioxoimidazolidin-4-one; F1553-0090; (5Z)-2-Thioxo-5-(4-chlorobenzylidene)imidazolidine-4-one; (5Z)-5-(4-chlorobenzylidene)-2-thioxoimidazolidin-4-one; (5Z)-5-(4-Chlorobenzylidene)-2-thioxo-4-imidazolidinone #; 4-Imidazolidinone, 5-((4-chlorophenyl)methylene)-2-thioxo-; (5Z)-5-[(4-chlorophenyl)methylene]-2-thioxo-imidazolidin-4-one; 37428-88-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684329	.	.	.	.	238.69	C10H7ClN2OS	73.2	321	2.3	15	2	2	1	"InChI=1S/C10H7ClN2OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)/b8-5-"	C1=CC(=CC=C1/C=C\\2/C(=O)NC(=S)N2)Cl	QNVGUGFRTRAWCL-YVMONPNESA-N
DG60685	N-(2-methylpropyl)-2-phenylquinazolin-4-amine	719700	CBMicro_031742; N-(2-methylpropyl)-2-phenylquinazolin-4-amine; Oprea1_029698; Oprea1_479099; SCHEMBL4084505; CHEMBL3561917; ZINC120323; CCG-16542; MFCD02078939; NSC727895; STK968838; AKOS001629221; MCULE-1747213564; NSC-727895; BIM-0031944.P001; N-isobutyl-N-(2-phenyl-4-quinazolinyl)amine; MLS-0472767.0001; N4-isobutyl-2-phenyl-4-quinazolinamine isobutyl(2-phenyl-4-quinazolinyl)amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727895	.	.	.	.	277.4	C18H19N3	37.8	312	5.2	21	1	3	4	"InChI=1S/C18H19N3/c1-13(2)12-19-18-15-10-6-7-11-16(15)20-17(21-18)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,19,20,21)"	CC(C)CNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3	HQOYWBCXUCFOME-UHFFFAOYSA-N
DG60686	(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)acrylamide	720870	NSC134672; 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide; CHEMBL1974275; 91138-32-8; CAA103213; ZINC12366682; AKOS003242898; NSC-134672; (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)acrylamide; F0192-0143; (2Z)-2-CYANO-3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-ENAMIDE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134672	.	.	.	.	218.21	C11H10N2O3	96.3	342	1	16	2	4	3	"InChI=1S/C11H10N2O3/c1-16-10-5-7(2-3-9(10)14)4-8(6-12)11(13)15/h2-5,14H,1H3,(H2,13,15)/b8-4-"	COC1=C(C=CC(=C1)/C=C(/C#N)\\C(=O)N)O	XGWRIMMSDUGXTL-YWEYNIOJSA-N
DG60687	"N-cyclohexyl-N,6-dimethylquinazolin-4-amine"	720997	"N-cyclohexyl-N,6-dimethylquinazolin-4-amine; Oprea1_213625; Oprea1_786187; ZINC122907; NSC727839; STK379774; AKOS002346470; MCULE-8437577580; NSC-727839; N4-cyclohexyl-N4,6-dimethyl-4-quinazolinamine cyclohexyl(methyl)6-methyl-4-quinazolinylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727839	.	.	.	.	255.36	C16H21N3	29	288	4.2	19	0	3	2	"InChI=1S/C16H21N3/c1-12-8-9-15-14(10-12)16(18-11-17-15)19(2)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3"	CC1=CC2=C(C=C1)N=CN=C2N(C)C3CCCCC3	XATHVDRZOYLAQD-UHFFFAOYSA-N
DG60688	"N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide"	722817	"96447-49-3; N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide; NSC695067; 1-amino-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea; 3-amino-1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea; SR-01000005191; ACIDRED151; Oprea1_353560; SCHEMBL7842377; CHEMBL2002164; DTXSID70352306; ZINC6520293; MFCD00433619; STK852634; AKOS000267732; MCULE-5697352392; NSC-695067; NCI60_034042; UPCMLD0ENAT0514-5140:001; EN300-03848; SR-01000005191-1; SR-01000005191-2; Z56175842; F0207-0659; 1-amino-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695067	.	.	.	.	277.35	C12H15N5OS	106	416	-0.3	19	3	4	2	"InChI=1S/C12H15N5OS/c1-8-10(14-12(19)15-13)11(18)17(16(8)2)9-6-4-3-5-7-9/h3-7H,13H2,1-2H3,(H2,14,15,19)"	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN	AECZZXCAOYZBRA-UHFFFAOYSA-N
DG60689	5-Cinnamylidenebarbituric acid	727420	"Meterocycle; 5-Cinnamylidenebarbituric acid; BARBITURIC ACID, 5-CINNAMYLIDENE-; CHEMBL270142; 23450-49-9; NSC 93958; BRN 0208961; AI3-60214; 2,4,6(1H,3H,5H)Pyrimidinetrione, 5-cinnamylidene-; 5-24-09-00346 (Beilstein Handbook Reference); WLN: T6MVMVYVJ EU2U1R; SCHEMBL11598589; HMS1522N03; NSC93958; ZINC9045952; BDBM50375166; NSC-93958; STK824357; AKOS000517232; IDI1_031223; NCGC00177358-01; 2,6(1H,3H,5H)Pyrimidinetrione, 5-cinnamylidene-; BRD-K67661078-001-01-9; 2,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-phenyl-2-propenylidene)-; 5-(3-Phenyl-2-propenylidene)pyrimidine-2,4,6(1H,3H,5H)-trione; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-phenyl-2-propenylidene)- (9CI); 5-[(2E)-3-phenylprop-2-en-1-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione; 212375-00-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93958	.	.	.	.	242.23	C13H10N2O3	75.3	410	1.6	18	2	3	2	"InChI=1S/C13H10N2O3/c16-11-10(12(17)15-13(18)14-11)8-4-7-9-5-2-1-3-6-9/h1-8H,(H2,14,15,16,17,18)/b7-4+"	C1=CC=C(C=C1)/C=C/C=C2C(=O)NC(=O)NC2=O	CRQHPZFBGAKYRX-QPJJXVBHSA-N
DG60690	N4-(3-methoxyphenyl)-2-(1-ethylpropyl)-4-quinazolinamine 2-(1-ethylpropyl)-4-quinazolinyl(3-methoxyphenyl)amine	729549	Neuro1_000569; Oprea1_593708; ZINC141462; NSC730026; AKOS002348518; MCULE-1123489544; NSC-730026; N4-(3-methoxyphenyl)-2-(1-ethylpropyl)-4-quinazolinamine 2-(1-ethylpropyl)-4-quinazolinyl(3-methoxyphenyl)amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730026	.	.	.	.	321.4	C20H23N3O	47	374	5.3	24	1	4	6	"InChI=1S/C20H23N3O/c1-4-14(5-2)19-22-18-12-7-6-11-17(18)20(23-19)21-15-9-8-10-16(13-15)24-3/h6-14H,4-5H2,1-3H3,(H,21,22,23)"	CCC(CC)C1=NC2=CC=CC=C2C(=N1)NC3=CC(=CC=C3)OC	GWYMWLBAIOQNDQ-UHFFFAOYSA-N
DG60691	"3-chloro-1-(2-chlorophenyl)-4-(3-hydroxyanilino)-1H-pyrrole-2,5-dione"	729920	"3-chloro-1-(2-chlorophenyl)-4-(3-hydroxyanilino)-1H-pyrrole-2,5-dione; 3-chloro-1-(2-chlorophenyl)-4-(3-hydroxyanilino)pyrrole-2,5-dione; 307545-32-0; ZINC142139; MFCD02333136; NSC727740; STL331115; AKOS002261850; MCULE-7555170539; NSC-727740; AB00682164-01; AF-399/15284644; SR-01000236762; SR-01000236762-1; 3-chloro-1-(2-chlorophenyl)-4-(3-hydroxyanilino)-2,5-pyrroledione; 3-chloro-1-(2-chlorophenyl)-4-[(3-hydroxyphenyl)amino]-1H-pyrrole-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727740	.	.	.	.	349.2	C16H10Cl2N2O3	69.6	537	3.9	23	2	4	3	"InChI=1S/C16H10Cl2N2O3/c17-11-6-1-2-7-12(11)20-15(22)13(18)14(16(20)23)19-9-4-3-5-10(21)8-9/h1-8,19,21H"	C1=CC=C(C(=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)O)Cl	NXPFNCYYWJJLQD-UHFFFAOYSA-N
DG60692	"1-benzyl-3-chloro-4-[(2-hydroxy-5-methylphenyl)amino]-1H-pyrrole-2,5-dione"	731393	"MLS000626713; SMR000299098; 1-benzyl-3-chloro-4-[(2-hydroxy-5-methylphenyl)amino]-1H-pyrrole-2,5-dione; 1-benzyl-3-chloro-4-((2-hydroxy-5-methylphenyl)amino)-1H-pyrrole-2,5-dione; cid_731393; CHEMBL1517374; BDBM33160; HMS2688G13; ZINC144903; 1-benzyl-3-chloro-4-(2-hydroxy-5-methylanilino)pyrrole-2,5-dione; MFCD02962923; NSC727731; AKOS001688132; MCULE-8326753352; NSC-727731; AP-906/41247845; F3097-5518; 1-benzyl-3-chloro-4-(2-hydroxy-5-methylanilino)-2,5-pyrroledione; 1-benzyl-3-chloro-4-(2-hydroxy-5-methyl-anilino)-3-pyrroline-2,5-quinone; 3-chloro-4-(2-hydroxy-5-methylanilino)-1-(phenylmethyl)pyrrole-2,5-dione; 3-chloranyl-4-[(5-methyl-2-oxidanyl-phenyl)amino]-1-(phenylmethyl)pyrrole-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727731	.	.	.	.	342.8	C18H15ClN2O3	69.6	542	3.6	24	2	4	4	"InChI=1S/C18H15ClN2O3/c1-11-7-8-14(22)13(9-11)20-16-15(19)17(23)21(18(16)24)10-12-5-3-2-4-6-12/h2-9,20,22H,10H2,1H3"	CC1=CC(=C(C=C1)O)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl	PJRBIUKCMMJUOL-UHFFFAOYSA-N
DG60693	"3,5-Dimethylphenylthiourea"	736215	"3,5-Dimethylphenylthiourea; 97480-60-9; (3,5-Dimethylphenyl)thiourea; 1-(3,5-dimethylphenyl)thiourea; 1-(3,5-Dimethylphenyl)-2-thiourea; N-(3,5-Dimethylphenyl)thiourea; NSC637006; MLS000375347; SCHEMBL1881297; CHEMBL1334754; SCHEMBL10785142; DTXSID50352965; N-(3,5-dimethylphenyl) thiourea; HMS2566B13; Thiourea,N-(3,5-dimethylphenyl)-; ZINC8687477; (3,5-Dimethylphenyl)thiourea 97%; BBL023764; MFCD00041173; STL353617; (3,5-Dimethylphenyl)thiourea, 97%; AKOS000113773; MCULE-8109702833; NSC-637006; PS-3802; NCI60_012270; SMR000254600; DB-018489; CS-0204599; FT-0614702; FT-0614703; EN300-06796; A915369; 3-CYCLOPENTYLOXY-4-METHOXYBENZENEBORONICACID"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637006	.	.	.	.	180.27	C9H12N2S	70.1	160	2.2	12	2	1	1	"InChI=1S/C9H12N2S/c1-6-3-7(2)5-8(4-6)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)"	CC1=CC(=CC(=C1)NC(=S)N)C	XOAYHDJRYDSPJZ-UHFFFAOYSA-N
DG60694	3-(4-Pyridyl)acrylic acid	736782	"3-(4-Pyridyl)acrylic acid; 5337-79-1; 4-Pyridineacrylic acid; 84228-93-3; (e)-3-(pyridin-4-yl)acrylic acid; trans-3-(4-pyridyl)acrylic acid; 3-(4-pyridine)acrylic acid; 3-(pyridin-4-yl)acrylic acid; 3-Pyridin-4-yl-acrylic acid; (2e)-3-pyridin-4-ylacrylic acid; (e)-3-pyridin-4-yl-acrylic acid; MFCD00040746; 2-Propenoic acid, 3-(4-pyridinyl)-; b-(4-pyridyl)-acrylic acid; 3-(4-pyridinyl)acrylic acid; (2E)-3-(pyridin-4-yl)prop-2-enoic acid; (E)-Pyridin-4-Yl-Acrylic Acid; NSC830; NSC 830; EINECS 226-265-4; 3-(pyridin-4-yl)prop-2-enoic acid; Pyridine-4-acrylic acid; b-(4-pyridyl)acrylic acid; 3-(4-Pyridyl) acrylic acid; SCHEMBL333510; CHEMBL1615293; 3-(pyridin-4-yl)-acrylic acid; (e)-3-(4-pyridyl)acrylic acid; NSC-830; (E)-3-pyridin-4-ylacrylic acid; ZINC161450; 3-(4-pyridinyl)-2-propenoic acid; ACT05646; ALBB-014123; (2e)-3-(4-pyridinyl)acrylic acid; BBL100160; STK298848; AKOS000122927; AKOS025310925; CS-W021781; QC-8957; (E)-3-(4-Pyridyl)prop-2-enoic acid; (2E)-3-pyridin-4-ylprop-2-enoic acid; AS-11569; LS-13406; 3-(4-pyridyl)acrylic acid 5337-79-1; BB 0258327; EN300-06512; 2-Propenoic acid, 3-(4-pyridinyl)-, (2E)-; A847166; AA-516/30131001; Q27467560"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	830	.	.	.	.	149.15	C8H7NO2	50.2	160	0.8	11	1	3	2	"InChI=1S/C8H7NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-6H,(H,10,11)/b2-1+"	C1=CN=CC=C1/C=C/C(=O)O	SSAYTINUCCRGDR-OWOJBTEDSA-N
DG60695	"1,2-Dimethoxy-4-(2-nitropropenyl)benzene"	737187	"Benzene,2-dimethoxy-4-(2-nitropropenyl)-; Benzene,2-dimethoxy-4-(2-nitro-1-propenyl)-; NSC54548; 1,2-Dimethoxy-4-(2-nitropropenyl)benzene; Benzene, 1,2-dimethoxy-4-(2-nitropropenyl)-; Benzene, 1,2-dimethoxy-4-(2-nitro-1-propenyl)-; NSC12113; NSC-12113; NSC-54548; NSC105317; ZINC16136475; AKOS003627515; NSC-105317; 1,2-Dimethoxy-4-(2-nitro-1-propenyl)benzene; 1-(3,4-DIMETHOXYPHENYL)-2-NITRO-1-PROPENE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12113	.	.	.	.	223.22	C11H13NO4	64.3	272	2.1	16	0	4	3	"InChI=1S/C11H13NO4/c1-8(12(13)14)6-9-4-5-10(15-2)11(7-9)16-3/h4-7H,1-3H3/b8-6-"	C/C(=C/C1=CC(=C(C=C1)OC)OC)/[N+](=O)[O-]	JGFBGRHDJMANRR-VURMDHGXSA-N
DG60696	Acetic acid 2-methoxy-5-(5-oxo-2-phenyl-oxazol-4-ylidenemethyl)-phenyl ester	740151	NSC709992; CHEMBL1983686; SCHEMBL15421433; SCHEMBL15421434; ZINC176657; Acetic acid 2-methoxy-5-(5-oxo-2-phenyl-oxazol-4-ylidenemethyl)-phenyl ester; AKOS000516108; NSC-709992; SR-01000413326; SR-01000413326-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709992	.	.	.	.	337.3	C19H15NO5	74.2	576	3.3	25	0	6	5	"InChI=1S/C19H15NO5/c1-12(21)24-17-11-13(8-9-16(17)23-2)10-15-19(22)25-18(20-15)14-6-4-3-5-7-14/h3-11H,1-2H3/b15-10-"	CC(=O)OC1=C(C=CC(=C1)/C=C\\2/C(=O)OC(=N2)C3=CC=CC=C3)OC	JKVIZZKWXCRIJT-GDNBJRDFSA-N
DG60697	"ethyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate"	741352	"28277-68-1; NSC159935; ethyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate; CHEMBL1991437; ZINC179312; CCG-35208; STK565600; AKOS000509742; AKOS005492623; NSC-159935; SR-01000484891; SR-01000484891-1; ethyl (2E)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)prop-2-enoate; 3-(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-acrylic acid ethyl este"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	159935	.	.	.	.	224.21	C10H12N2O4	84.5	396	0	16	2	4	4	"InChI=1S/C10H12N2O4/c1-3-16-8(13)5-4-7-6(2)11-10(15)12-9(7)14/h4-5H,3H2,1-2H3,(H2,11,12,14,15)/b5-4+"	CCOC(=O)/C=C/C1=C(NC(=O)NC1=O)C	DGMCWSFLTABWGO-SNAWJCMRSA-N
DG60698	"3-(2,4-Dioxo-6-methyl-5-pyrimidinyl)acrylic acid"	743193	"28277-67-0; 3-(2,4-Dioxo-6-methyl-5-pyrimidinyl)acrylic acid; (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid; (2E)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)prop-2-enoic acid; Uca-1,2,3,4-tetrahydro; NSC163059; MLS000714043; SCHEMBL1668788; CHEMBL1588964; HMS1480N09; HMS2745N05; ZINC182934; STK604248; STL304883; 3-(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-acrylic acid; AKOS000588865; AKOS005540039; NSC 163059; NSC-163059; NCGC00245514-01; SMR000273523; SR-01000477730; SR-01000477730-1; (e)-1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidineacrylic acid; (2E)-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)prop-2-enoic acid; 2-Propenoic acid, 3-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, (E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163059	.	.	.	.	196.16	C8H8N2O4	95.5	368	-0.7	14	3	4	2	"InChI=1S/C8H8N2O4/c1-4-5(2-3-6(11)12)7(13)10-8(14)9-4/h2-3H,1H3,(H,11,12)(H2,9,10,13,14)/b3-2+"	CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)O	MBCTXMUNGXCIBB-NSCUHMNNSA-N
DG60699	"2-Amino-6-ethylsulfanyl-4-furan-2-yl-pyridine-3,5-dicarbonitrile"	745534	"SMR000117792; CBMicro_014640; Oprea1_468911; Oprea1_556407; MLS000527318; CHEMBL1531595; HMS1607J18; HMS2185P24; SMSF0005033; 2-Amino-6-ethylsulfanyl-4-furan-2-yl-pyridine-3,5-dicarbonitrile; NSC731356; ZINC19534964; AKOS000522815; CB13441; MCULE-1081905918; NSC-731356; BIM-0014689.P001; EU-0067624; SR-01000395626; SR-01000395626-1; 2-amino-6-(ethylthio)-4-(2-furyl)pyridine-3,5-dicarbonitrile; 2 -Amino-6-(ethylthio)-4-(furan-2-yl)pyridine-3,5-dicarbonitri le"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731356	.	.	.	.	270.31	C13H10N4OS	125	411	2.4	19	1	6	3	"InChI=1S/C13H10N4OS/c1-2-19-13-9(7-15)11(10-4-3-5-18-10)8(6-14)12(16)17-13/h3-5H,2H2,1H3,(H2,16,17)"	CCSC1=C(C(=C(C(=N1)N)C#N)C2=CC=CO2)C#N	GOUYQPFXXZWOTN-UHFFFAOYSA-N
DG60700	N-phenyl-2-pyridinecarbothioamide	759327	"n-phenylpyridine-2-carbothioamide; N-phenyl-2-pyridinecarbothioamide; N-phenylthiopicolinamide; NSC45291; 13225-84-8; MLS000532669; MLS000736600; Pyridine-2-carbothioic acid phenylamide; SMR000137608; thiopicolinanilide; n-phenylpyridine-2-thioamide; Oprea1_066518; CHEMBL114544; cid_759327; SCHEMBL2744859; BDBM79975; DTXSID70927598; HMS2184O17; N-phenyl-pyridine-2-carbothioamide; N2-phenylpyridine-2-carbothioamide; ZINC4557220; 2-Pyridinecarbothioamide, N-phenyl-; NSC-45291; AKOS000361103; MCULE-9797027351; N-Phenylpyridine-2-carboximidothioic acid; MLS000736600-02; MLS000736600-03; SR-01000389065; SR-01000389065-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45291	.	.	.	.	214.29	C12H10N2S	57	212	2.6	15	1	2	2	"InChI=1S/C12H10N2S/c15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10/h1-9H,(H,14,15)"	C1=CC=C(C=C1)NC(=S)C2=CC=CC=N2	HOMILEBHBIPJEZ-UHFFFAOYSA-N
DG60701	5-[(8-Hydroxyquinolin-5-yl)methyl]quinolin-8-ol	761547	"5-[(8-hydroxyquinolin-5-yl)methyl]quinolin-8-ol; CHEMBL2325490; 5,5'-Methylenebis(quinolin-8-ol); 2536-71-2; ChemDiv2_000257; 5-[(8-hydroxy-5-quinolyl)methyl]quinolin-8-ol; Oprea1_523932; Oprea1_723884; SCHEMBL9177673; 5,5'-methanediyldiquinolin-8-ol; 5,5'-Methylenebis(8-quinolinol); HMS1369L15; ZINC231934; BDBM50490545; NSC782965; STK201303; AKOS001039008; CCG-104137; MCULE-3891515645; NSC-782965; CS-0270592; Z56753859"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782965	.	.	.	.	302.3	C19H14N2O2	66.2	369	3.7	23	2	4	2	"InChI=1S/C19H14N2O2/c22-16-7-5-12(14-3-1-9-20-18(14)16)11-13-6-8-17(23)19-15(13)4-2-10-21-19/h1-10,22-23H,11H2"	C1=CC2=C(C=CC(=C2N=C1)O)CC3=C4C=CC=NC4=C(C=C3)O	FKGLQHRCVKTDFC-UHFFFAOYSA-N
DG60702	"Benzamide, 4-nitro-N-[(phenylamino)thioxomethyl]-"	763768	"1-(4-Nitrobenzoyl)-3-phenylthiourea; 56437-98-0; Benzamide, 4-nitro-N-[(phenylamino)thioxomethyl]-; NSC131943; 1-(4-Nitro-benzoyl)-3-phenyl-thiourea; CHEMBL1992416; DTXSID40971866; ZINC238016; AKOS000521915; MCULE-5001942375; NSC-131943; N-(4-Nitrobenzoyl)-N'-phenylthiourea #; NCI60_000707; SR-01000401234; SR-01000401234-1; 4-Nitro-N-[(phenylimino)(sulfanyl)methyl]benzene-1-carboximidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131943	.	.	.	.	301.32	C14H11N3O3S	119	397	3.8	21	2	4	2	"InChI=1S/C14H11N3O3S/c18-13(10-6-8-12(9-7-10)17(19)20)16-14(21)15-11-4-2-1-3-5-11/h1-9H,(H2,15,16,18,21)"	C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]	CLUCQDRQMGVTGD-UHFFFAOYSA-N
DG60703	"5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol"	764370	"5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol; 68212-26-0; 3-[(4-chlorophenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione; NSC699747; MLS001202851; 5-(4-Chloro-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol; SMR000517016; 5-(4-chlorophenoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol; 5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol; 5-(4-CHLORO-PHENOXYMETHYL)-4-PHENYL-4H-(1,2,4)TRIAZOLE-3-THIOL; 5-((4-Chlorophenoxy)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione; 5-[(4-chlorophenoxy)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione; Oprea1_491820; cid_764370; SCHEMBL5426838; CHEMBL1374616; BDBM114563; HMS2813K14; ZINC1439683; CCG-15994; STK771611; STK891278; AKOS000268496; AKOS024289290; MCULE-5790589900; NSC-699747; NCI60_035711; UPCMLD0ENAT0518-0736:001; CS-0221076; EN300-08294; AB00094980-01; AE-641/02564025; SR-01000418110; SR-01000418110-1; Z56276716; 5-(4-Chlorophenoxymethyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol; 3-(4-Chlorophenoxymethyl)-4-phenyl-1H-1,2,4-triazole-5(4H)-thione; 3-[(4-chloranylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699747	.	.	.	.	317.8	C15H12ClN3OS	69	404	3.9	21	1	3	4	"InChI=1S/C15H12ClN3OS/c16-11-6-8-13(9-7-11)20-10-14-17-18-15(21)19(14)12-4-2-1-3-5-12/h1-9H,10H2,(H,18,21)"	C1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=C(C=C3)Cl	QWCCPFNBTXBJLC-UHFFFAOYSA-N
DG60704	N-(2-Chlorophenyl)cinnamamide	765318	N-(2-Chlorophenyl)cinnamamide; 73108-79-9; (E)-N-(2-chlorophenyl)-3-phenylprop-2-enamide; 2'-CHLOROCINNAMANILIDE; CHEMBL1981977; 105703-65-9; MFCD00157758; N-(2-chlorophenyl)-3-phenyl-2-Propenamide; NSC191390; N-(2-chlorophenyl)-3-phenylprop-2-enamide; (2E)-N-(2-chlorophenyl)-3-phenylprop-2-enamide; SCHEMBL2683663; SCHEMBL9988230; ZINC240704; YCA10879; 7160AJ; BDBM50429754; STK414217; AKOS002988160; N-(2-chlorophenyl)-3-phenylacrylamide; NSC-191390; N-(2-Chlorophenyl)-3-phenylpropeneamide; AS-30132; N-(2-Chloro-phenyl)-3-phenyl-acrylamide; CS-0232681; J3.516.213E; AB00078591-01; (2E)-N-(2-Chlorophenyl)-3-phenyl-2-propenamide; (E)-N-(2-chlorophenyl)-3-phenyl-prop-2-enamide; SR-01000202817; SR-01000202817-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	191390	.	.	.	.	257.709	C15H12ClNO	29.1	297	3.4	18	1	1	3	"InChI=1S/C15H12ClNO/c16-13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-1-3-7-12/h1-11H,(H,17,18)/b11-10+"	C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2Cl	FKLXMLNUDVRAJG-ZHACJKMWSA-N
DG60705	"N-(3-Cyano-4,5,6,7-Tetrahydro-1-Benzothien-2-Yl)-2-Fluorobenzamide"	766948	"304884-83-1; N-(3-Cyano-4,5,6,7-Tetrahydro-1-Benzothien-2-Yl)-2-Fluorobenzamide; GW572738X; N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide; CHEMBL234838; CHEBI:40300; Benzamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-2-fluoro-; N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-fluorobenzamide; 2o2u; Oprea1_083914; Oprea1_157621; SCHEMBL3284953; HMS3303E09; HMS3305D16; HMS3604H08; ZINC244028; BDBM50411413; NSC756261; AKOS000629850; CCG-103751; DB07217; MCULE-3798220430; NSC-756261; NCGC00242003-01; AB01092087-01; SR-01000396988; SR-01000396988-1; Q27096138; F0016-0399; Benzamide,N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-2-fluoro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756261	.	.	.	.	300.4	C16H13FN2OS	81.1	449	4.4	21	1	4	2	"InChI=1S/C16H13FN2OS/c17-13-7-3-1-6-11(13)15(20)19-16-12(9-18)10-5-2-4-8-14(10)21-16/h1,3,6-7H,2,4-5,8H2,(H,19,20)"	C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3F)C#N	YVYPYORTKAIUGJ-UHFFFAOYSA-N
DG60706	TCS JNK 5a	766949	"JNK Inhibitor IX; 312917-14-9; TCS JNK 5a; SC-202671; N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-naphthamide; N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-1-carboxamide; TCS JNK 5a (JNK Inhibitor IX); GW620972X; N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thienyl-2-yl)-1-naphthalenecarboxamide; SC 202671; TCS-JNK-5a; AC1LG8KT; BAS 01816608; 5A; MFCD01005305; Oprea1_707865; MLS006012028; SCHEMBL157875; CHEMBL233001; GTPL5996; BDBM86638; CHEBI:91453; AOB4327; DTXSID70354224; EX-A543; HMS3303I24; HMS3305I03; HMS3653D11; HMS3672E05; TCS JNK 5a(JNK Inhibitor IX); ZINC244029; BCP06751; 2492AH; NSC756282; s7508; AKOS000661037; CCG-267834; DS-8701; MCULE-1649733391; NSC-756282; QC-8919; NCGC00242227-01; NCGC00242227-02; NCGC00242227-11; DA-42837; HY-15881; SC202671; SMR004703561; B3275; FT-0700286; SW212510-3; EC-000.2455; JNK Inhibitor IX - CAS 312917-14-9; N10871; AB01092088-01; A875971; SR-01000906476; J-018363; SR-01000906476-1; F0016-0404; Naphthalene-1-carboxylic acid (3-cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756282	.	.	.	.	332.4	C20H16N2OS	81.1	527	5.5	24	1	3	2	"InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)"	C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC4=CC=CC=C43)C#N	WQGDQGAFSDMBLA-UHFFFAOYSA-N
DG60707	"1H-indole-2,3-dione 3-[N-(3-methylphenyl)thiosemicarbazone]"	772848	"1H-indole-2,3-dione 3-[N-(3-methylphenyl)thiosemicarbazone]; NSC668501; MLS000705089; SMR000231438; 1H-Indole-2,3-dione 3-(N-(3-methylphenyl)thiosemicarbazone); 1-[(2-ketoindol-3-yl)amino]-3-(m-tolyl)thiourea; 1-(3-methylphenyl)-3-[(2-oxoindol-3-yl)amino]thiourea; CHEMBL1558306; CHEMBL1762441; SCHEMBL23483663; BDBM72267; cid_5465946; HMS2548N16; STK075579; ZINC03891903; ZINC03891904; AKOS000485236; AKOS003238053; ZINC100004416; MCULE-6612387200; NSC-668501; NCI60_023931; AN-329/40200639; 1-(3-methylphenyl)-3-[(2-oxo-3-indolyl)amino]thiourea; 1-(m-tolyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea; (3Z)-1H-indole-2,3-dione 3-[N-(3-methylphenyl)thiosemicarbazone]; 1-(3-methylphenyl)-3-[(2-oxidanylideneindol-3-yl)amino]thiourea; (2E)-N-(3-methylphenyl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668501	.	.	.	.	310.4	C16H14N4OS	105	430	4.4	22	3	3	2	"InChI=1S/C16H14N4OS/c1-10-5-4-6-11(9-10)17-16(22)20-19-14-12-7-2-3-8-13(12)18-15(14)21/h2-9,18,21H,1H3,(H,17,22)"	CC1=CC(=CC=C1)NC(=S)N=NC2=C(NC3=CC=CC=C32)O	HIEKGGIFSRYTJJ-UHFFFAOYSA-N
DG60708	Pyridin-2-yl-(4-pyridin-2-yl-thiazol-2-yl)-amine	772885	"3374-88-7; TCMDC-124275; N,4-dipyridin-2-yl-1,3-thiazol-2-amine; Pyridin-2-yl-(4-pyridin-2-yl-thiazol-2-yl)-amine; GNF-PF-4773; CHEMBL489770; GW354586X; CBMicro_026353; Cambridge id 5625000; SCHEMBL5155715; ZINC257247; DNDI1317482; BDBM50264020; MFCD00642222; N,4-bis(2-pyridyl)thiazol-2-amine; NSC751858; N,4-Bis(2-pyridyl)thiazole-2-amine; AKOS000361423; ACN-049889; CS-7941; N,4-di(pyridin-2-yl)thiazol-2-amine; NSC-751858; HY-22044; BIM-0026443.P001; pyridin-2-yl-(4-pyridin-2-ylthiazol-2-yl)amine; N-(4-(pyridin-2-yl)thiazol-2-yl)pyridin-2-amine; N-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine; N-[4-(2-pyridinyl)-1,3-thiazol-2-yl]-2-pyridinamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751858	.	.	.	.	254.31	C13H10N4S	78.9	263	2.7	18	1	5	3	"InChI=1S/C13H10N4S/c1-3-7-14-10(5-1)11-9-18-13(16-11)17-12-6-2-4-8-15-12/h1-9H,(H,15,16,17)"	C1=CC=NC(=C1)C2=CSC(=N2)NC3=CC=CC=N3	RYCUBTFYRLAMFA-UHFFFAOYSA-N
DG60709	1-(3-chlorobenzyl)-1H-indole-3-carbaldehyde	775540	"1-(3-chlorobenzyl)-1H-indole-3-carbaldehyde; 90815-01-3; 1-[(3-chlorophenyl)methyl]indole-3-carbaldehyde; 1-[(3-chlorophenyl)methyl]-1H-indole-3-carbaldehyde; 1H-Indole-3-carboxaldehyde, 1-[(3-chlorophenyl)methyl]-; SCHEMBL4361317; CHEMBL1775049; DTXSID30354523; ZINC264056; ALBB-001447; 2819AF; BBL015327; MFCD03422505; NSC741908; STK347801; AKOS000103409; MCULE-5987198822; NSC 741908; NSC-741908; 4,5-Dichloroisothiazole-3-carboxylicacid; VS-04907; CS-0240501"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741908	.	.	.	.	269.72	C16H12ClNO	22	322	3.7	19	0	1	3	"InChI=1S/C16H12ClNO/c17-14-5-3-4-12(8-14)9-18-10-13(11-19)15-6-1-2-7-16(15)18/h1-8,10-11H,9H2"	C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)Cl)C=O	NANCGWIQWABHDC-UHFFFAOYSA-N
DG60710	4-chloro-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol	776023	4-chloro-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol; 416873-21-7; ZINC4473189; NSC775429; STK845267; AKOS000603393; MCULE-1063904547; NSC-775429; AK-198/36418043; 4-chloro-2-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775429	.	.	.	.	305.2	C15H10Cl2N2O	48.9	323	4.4	20	2	2	2	"InChI=1S/C15H10Cl2N2O/c16-10-3-1-9(2-4-10)13-8-14(19-18-13)12-7-11(17)5-6-15(12)20/h1-8,20H,(H,18,19)"	C1=CC(=CC=C1C2=NNC(=C2)C3=C(C=CC(=C3)Cl)O)Cl	NNPMRAUCHSGECM-UHFFFAOYSA-N
DG60711	2-[(1H-benzimidazol-2-ylamino)methyl]-4-chlorophenol	787413	GNF-Pf-3183; CBKinase1_000772; CBKinase1_013172; Oprea1_703996; Oprea1_798340; 2-[(1H-benzimidazol-2-ylamino)methyl]-4-chlorophenol; CHEMBL580159; ZINC285494; MMV665850; NSC766497; STK027858; AKOS000505729; CCG-274501; MCULE-1895236084; NSC-766497; SR-01000471039; SR-01000471039-1; BRD-K56193550-001-01-3; 2-(((1H-benzo[d]imidazol-2-yl)amino)methyl)-4-chlorophenol; 364601-83-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766497	.	.	.	.	273.72	C14H12ClN3O	60.9	304	3.6	19	3	3	3	"InChI=1S/C14H12ClN3O/c15-10-5-6-13(19)9(7-10)8-16-14-17-11-3-1-2-4-12(11)18-14/h1-7,19H,8H2,(H2,16,17,18)"	C1=CC=C2C(=C1)NC(=N2)NCC3=C(C=CC(=C3)Cl)O	CICSCGMRUIMBNF-UHFFFAOYSA-N
DG60712	"4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile"	794510	"4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile; NSC705925; Oprea1_863930; CHEMBL1969715; ZINC2848723; MFCD00812832; STL115775; AKOS001145615; MCULE-2997381536; NSC-705925; NCI60_037736; CS-0296567; EN300-25990; AB00080482-01; SR-01000204370; SR-01000204370-1; 4-ethyl-2-sulfanyl-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile; 4-ethyl-2-sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile; 4-ethyl-2-sulfanylidene-1H,2H,5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile; 4-ethyl-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile; 213203-86-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705925	.	.	.	.	204.29	C11H12N2S	67.9	406	1.3	14	1	2	1	"InChI=1S/C11H12N2S/c1-2-7-8-4-3-5-10(8)13-11(14)9(7)6-12/h2-5H2,1H3,(H,13,14)"	CCC1=C(C(=S)NC2=C1CCC2)C#N	QKYPEAYWLXDFCP-UHFFFAOYSA-N
DG60713	"3,8-Dimethoxybenzo[c]chromen-6-one"	800988	"3,8-dimethoxy-6H-benzo[c]chromen-6-one; MLS001049097; SMR000386930; 3,8-dimethoxybenzo[c]chromen-6-one; Oprea1_498482; Oprea1_708393; cid_800988; CHEMBL1499823; SCHEMBL18880260; BDBM43749; HMS2267G24; ZINC307929; NSC735327; STK921190; AKOS016384320; MCULE-8822298700; NSC-735327; 1680-85-9; 3,8-dimethoxy-6-benzo[c][1]benzopyranone; AB00637164-07; SR-01000246931; SR-01000246931-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735327	.	.	.	.	256.25	C15H12O4	44.8	343	3	19	0	4	2	"InChI=1S/C15H12O4/c1-17-9-3-5-11-12-6-4-10(18-2)8-14(12)19-15(16)13(11)7-9/h3-8H,1-2H3"	COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OC)OC2=O	FTCCLANRGJOUKX-UHFFFAOYSA-N
DG60714	[(2-phenyl-1H-indol-3-yl)methylene]malononitrile	809566	Oprea1_728582; Oprea1_820361; CHEMBL238788; SCHEMBL3240840; ZINC320773; NSC746685; AKOS000507460; MCULE-7069171454; NSC-746685; 2-(2-Phenyl-3-Indolylmethylene)-Malononitrile; [(2-phenylindol-3-yl)methylene]propanedinitrile; [(2-phenyl-1H-indol-3-yl)methylene]malononitrile; 2-(2-Phenyl-1H-indole-3-ylmethylene)malononitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746685	.	.	.	.	269.3	C18H11N3	63.4	479	3.8	21	1	2	2	"InChI=1S/C18H11N3/c19-11-13(12-20)10-16-15-8-4-5-9-17(15)21-18(16)14-6-2-1-3-7-14/h1-10,21H"	C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=C(C#N)C#N	BGMDXKBEYJSRHO-UHFFFAOYSA-N
DG60715	"4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol"	812842	"NSC707055; CBMicro_021216; CHEMBL1966325; HMS1677M18; CCG-8886; STL323524; ZINC17027770; AKOS000582235; MCULE-8977723277; NSC-707055; 330448-86-7; NCI60_038062; BIM-0021260.P001; SR-01000314708; SR-01000314708-1; 4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707055	.	.	.	.	298.37	C14H14N6S	95.8	387	3.6	21	4	4	5	"InChI=1S/C14H14N6S/c21-14-18-17-13(16-15-11-7-3-1-4-8-11)20(14)19-12-9-5-2-6-10-12/h1-10,15,19H,(H,16,17)(H,18,21)"	C1=CC=C(C=C1)NNC2=NNC(=S)N2NC3=CC=CC=C3	ZKROGKDKZNBCDE-UHFFFAOYSA-N
DG60716	3-[1-(4-chloroanilino)ethylidene]dihydro-2(3H)-furanone	820318	"MLS002702324; NSC680781; CHEMBL1874628; CHEMBL2003423; ZINC100094995; NSC-680781; SMR001565886; AO-476/14512016; 3-[1-(4-chloroanilino)ethylidene]dihydro-2(3H)-furanone; 2(3H)-Furanone, dihydro-3-[1-[(4-chlorophenyl)amino] ethylidene]-; 3-[1-[(4-Chlorophenyl)amino]ethylidene]dihydro-2(3H)-furanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680781	.	.	.	.	237.68	C12H12ClNO2	38.3	306	2.9	16	1	3	2	"InChI=1S/C12H12ClNO2/c1-8(11-6-7-16-12(11)15)14-10-4-2-9(13)3-5-10/h2-5,14H,6-7H2,1H3/b11-8+"	C/C(=C\\1/CCOC1=O)/NC2=CC=C(C=C2)Cl	LMTZKNFOUSGOPO-DHZHZOJOSA-N
DG60717	"3-Chloro-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one"	826953	ZINC347204; NSC731299; MCULE-5410240782; NSC-731299	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731299	.	.	.	.	237.67	C9H4ClN3OS	70.3	382	2.7	15	0	4	0	InChI=1S/C9H4ClN3OS/c10-7-8(14)13-5-3-1-2-4-6(5)15-9(13)12-11-7/h1-4H	C1=CC=C2C(=C1)N3C(=O)C(=NN=C3S2)Cl	ISYKGOSWMJJOBE-UHFFFAOYSA-N
DG60718	"(2Z)-2-(2-Nitrobenzylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one"	830841	"NSC633959; (2Z)-2-(2-Nitrobenzylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one; CHEMBL1971437; 41776-79-8; STK878624; ZINC13477807; AKOS002196111; CCG-353707; NSC-633959; 2-(2-Nitrobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one; Thiazolo[3.2-a]benzimidazol-3(2H)-one, 2-(2-nitrobenzylideno)-; (2Z)-2-[(2-nitrophenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one; (2Z)-2-(2-Nitrobenzylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one #; 2-(2-(Hydroxy(oxido)amino)benzylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633959	.	.	.	.	323.3	C16H9N3O3S	106	547	3.9	23	0	5	1	InChI=1S/C16H9N3O3S/c20-15-14(9-10-5-1-3-7-12(10)19(21)22)23-16-17-11-6-2-4-8-13(11)18(15)16/h1-9H/b14-9-	C1=CC=C(C(=C1)/C=C\\2/C(=O)N3C4=CC=CC=C4N=C3S2)[N+](=O)[O-]	YGDCSUPYSNHRJH-ZROIWOOFSA-N
DG60719	1-(2-methyl-4-oxoquinazolin-3(4H)-yl)-3-phenylthiourea	832521	NSC653936; 1-(2-methyl-4-oxoquinazolin-3(4H)-yl)-3-phenylthiourea; BAS 01081611; Oprea1_675036; CHEMBL1979223; DTXSID40356775; ZINC6494171; STL364867; AKOS000421209; MCULE-4651438304; NSC-653936; 62495-71-0; NCI60_018781; 2-Methyl-3-(3-phenylthioureido)quinazolin-4(3H)-one; 1-(2-methyl-4-oxo-quinazolin-3-yl)-3-phenyl-thiourea; 2-Methyl-3-{[(phenylamino)thioxomethyl]amino}-3-hydroquinazolin-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653936	.	.	.	.	310.4	C16H14N4OS	88.8	473	2.4	22	2	3	1	"InChI=1S/C16H14N4OS/c1-11-17-14-10-6-5-9-13(14)15(21)20(11)19-16(22)18-12-7-3-2-4-8-12/h2-10H,1H3,(H2,18,19,22)"	CC1=NC2=CC=CC=C2C(=O)N1NC(=S)NC3=CC=CC=C3	MRNMXGASLXONTP-UHFFFAOYSA-N
DG60720	"3-amino-N-(3-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	839019	"3-amino-N-(3-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; Oprea1_328232; Oprea1_806908; CHEMBL3770116; ZINC367163; NSC775437; AKOS001487618; MCULE-5082742476; NSC-775437; AN-919/14791021; SR-01000475338; SR-01000475338-1; 3-AMINO-N-(3-ME-PHENYL)-5,6,7,8-TETRAHYDROTHIENO(2,3-B)QUINOLINE-2-CARBOXAMIDE; 3-Amino-N-(m-tolyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; N-(m-Tolyl)-3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; 354793-63-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775437	.	.	.	.	337.4	C19H19N3OS	96.2	474	4.8	24	2	4	2	"InChI=1S/C19H19N3OS/c1-11-5-4-7-13(9-11)21-18(23)17-16(20)14-10-12-6-2-3-8-15(12)22-19(14)24-17/h4-5,7,9-10H,2-3,6,8,20H2,1H3,(H,21,23)"	CC1=CC(=CC=C1)NC(=O)C2=C(C3=C(S2)N=C4CCCCC4=C3)N	DZRJLYMKRRRLBH-UHFFFAOYSA-N
DG60721	"3-(1,3-Benzodioxol-5-yl)-N-(2-furylmethyl)acrylamide"	840355	"NSC686957; 3-(1,3-Benzodioxol-5-yl)-N-(2-furylmethyl)acrylamide; MLS000699862; CHEMBL1564366; HMS2512P05; ZINC369356; STK416902; AKOS002969325; NSC-686957; SMR000227558; (E)-3-(1,3-benzodioxol-5-yl)-N-(2-furylmethyl)prop-2-enamide; (2E)-3-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)prop-2-enamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686957	.	.	.	.	271.27	C15H13NO4	60.7	371	2.4	20	1	4	4	"InChI=1S/C15H13NO4/c17-15(16-9-12-2-1-7-18-12)6-4-11-3-5-13-14(8-11)20-10-19-13/h1-8H,9-10H2,(H,16,17)/b6-4+"	C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NCC3=CC=CO3	CXAHONMBMUYUDI-GQCTYLIASA-N
DG60722	N-(4-chlorophenyl)-5-nitrofuran-2-carboxamide	844044	N-(4-chlorophenyl)-5-nitrofuran-2-carboxamide; 109844-92-0; Cambridge id 5181524; Oprea1_138342; Oprea1_207704; CHEMBL2313319; SCHEMBL13219511; ZINC375216; NSC761634; STK092430; AKOS000506039; MCULE-2911775139; NSC-761634; N-(4-chlorophenyl)-5-nitro-2-furamide; AB00074963-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761634	.	.	.	.	266.64	C11H7ClN2O4	88.1	326	2.9	18	1	4	2	"InChI=1S/C11H7ClN2O4/c12-7-1-3-8(4-2-7)13-11(15)9-5-6-10(18-9)14(16)17/h1-6H,(H,13,15)"	C1=CC(=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-])Cl	JDBZJNUHQINERI-UHFFFAOYSA-N
DG60723	5-(trans-2-Carboxyvinyl)-uracil	869183	"5-(trans-2-carboxyvinyl)-uracil; (E)-5-(2-Carboxvinyl)uracil; E-5-(2-Carboxyvinyl)uracil; (E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid; 37107-80-5; 57412-59-6; NSC232002; 5-(2-Carboxyvinyl)uracil; Cambridge id 5727980; SCHEMBL190328; CHEMBL1215967; HMS1583D13; ZINC434271; AKOS006230711; NSC-232002; CS-0249185; W-203158; (2e)-3-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)prop-2-enoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	232002	.	.	.	.	182.13	C7H6N2O4	95.5	329	-1	13	3	4	2	"InChI=1S/C7H6N2O4/c10-5(11)2-1-4-3-8-7(13)9-6(4)12/h1-3H,(H,10,11)(H2,8,9,12,13)/b2-1+"	C1=C(C(=O)NC(=O)N1)/C=C/C(=O)O	HFEXWXMEGUJTQB-OWOJBTEDSA-N
DG60724	7-Methoxy-2-(trichloromethyl)chromen-4-one	871153	255843-62-0; 7-methoxy-2-(trichloromethyl)chromen-4-one; ST034310; CBMicro_009413; Cambridge id 5534045; CHEMBL590888; ZINC437340; SMSF0006007; MMV665820; NSC766467; STK020263; AKOS005378722; CB12188; MCULE-2055514242; NSC-766467; BIM-0009310.P001; SJ000290852; 7-methoxy-2-(trichloromethyl)-4H-chromen-4-one; SR-01000211795; SR-01000211795-1; 7-Methoxy-2-(trichloromethyl)-4H-1-benzopyran-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766467	.	.	.	.	293.5	C11H7Cl3O3	35.5	348	3.9	17	0	3	1	"InChI=1S/C11H7Cl3O3/c1-16-6-2-3-7-8(15)5-10(11(12,13)14)17-9(7)4-6/h2-5H,1H3"	COC1=CC2=C(C=C1)C(=O)C=C(O2)C(Cl)(Cl)Cl	LPLSLEOFBMPIFG-UHFFFAOYSA-N
DG60725	"5-[(4-Methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione"	885874	"NSC713070; CHEMBL1994129; SCHEMBL15631551; ZINC6484097; STK520746; AKOS000356592; MCULE-9455954248; NSC-713070; 5-[(4-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione; NCI60_039428; AB00113306-01; SR-01000239793; SR-01000239793-1; Z1945708819; 5-[(4-methoxynaphthalen-1-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione; 430460-87-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713070	.	.	.	.	312.3	C16H12N2O3S	99.5	510	2.8	22	2	4	2	"InChI=1S/C16H12N2O3S/c1-21-13-7-6-9(10-4-2-3-5-11(10)13)8-12-14(19)17-16(22)18-15(12)20/h2-8H,1H3,(H2,17,18,19,20,22)"	COC1=CC=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)NC3=O	PRGOJLMLGXKQJN-UHFFFAOYSA-N
DG60726	Ethyl 3-(5-nitro-2-furyl)acrylate	899314	"Ethyl 3-(5-nitro-2-furyl)acrylate; NF 23; NSC 6477; 2-Propenoic acid, 3-(5-nitro-2-furanyl)-, ethyl ester; 3-(5-Nitro-2-furanyl)-2-propenoic acid ethyl ester; 5-Nitro-2-furanacrylic acid, ethyl ester; ACRYLIC ACID, 3-(5-NITRO-2-FURYL)-, ETHYL ESTER; 1874-12-0; Ethyl .beta.-(5-nitro-2-furyl)acrylate; Ethyl 3-(5-nitro-2-furyl)-2-propenoate; ethyl 3-{5-nitro-2-furyl}acrylate; Ethyl 5-nitro-2-furanacrylate; CCRIS 5635; 2-Furanacrylic acid, 5-nitro-, ethyl ester; Ethyl 3-(5-nitro-2-furyl)propenoate; Ethyl beta-(5-nitro-2-furyl)acrylate; 5-Nitro-2-furylacrylic acid, ethyl ester; AI3-17339; Ethyl 3-(5-nitro-2-furanyl)-2-propenoate; CHEMBL1630886; NSC6477; WLN: T5OJ BNW E1U1VO2; NF-23; ZINC477427; NSC-6477; STK301767; AKOS003790589; Ethyl 3-(5-nitrofuran-2-yl)acrylate; 93303-56-1; AJ-264/34032056; ethyl (2E)-3-(5-nitrofuran-2-yl)prop-2-enoate; 2-Furanacrylic acid, 5-nitro-, ethyl ester (8CI); 2-Propenoic acid, 3-(5-nitro-2-furanyl)-, ethyl ester (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6477	.	.	.	.	211.17	C9H9NO5	85.3	270	2.1	15	0	5	4	"InChI=1S/C9H9NO5/c1-2-14-9(11)6-4-7-3-5-8(15-7)10(12)13/h3-6H,2H2,1H3/b6-4+"	CCOC(=O)/C=C/C1=CC=C(O1)[N+](=O)[O-]	WGROOPOBLKUOMN-GQCTYLIASA-N
DG60727	6-(4-Chlorophenyl)-2-mercapto-4-phenylnicotinonitrile	902392	"NSC671803; Oprea1_113274; CHEMBL1991293; ZINC481898; AKOS002665840; MCULE-7439829412; NSC-671803; NCI60_025371; AK-777/36503054; 6-(4-Chlorophenyl)-2-mercapto-4-phenylnicotinonitrile; 6-(4-chlorophenyl)-4-phenyl-2-sulfanyl-pyridine-3-carbonitrile; 2-Thioxo-4-phenyl-6-(4-chlorophenyl)-1,2-dihydro-3-pyridinecarbonitrile; 6-(4-chlorophenyl)-4-phenyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671803	.	.	.	.	322.8	C18H11ClN2S	67.9	555	4.2	22	1	2	2	"InChI=1S/C18H11ClN2S/c19-14-8-6-13(7-9-14)17-10-15(12-4-2-1-3-5-12)16(11-20)18(22)21-17/h1-10H,(H,21,22)"	C1=CC=C(C=C1)C2=C(C(=S)NC(=C2)C3=CC=C(C=C3)Cl)C#N	MBWILBPHNMPIGN-UHFFFAOYSA-N
DG60728	Phenanthraquinone monothiosemicarbazone	929712	"Phenanthraquinone monothiosemicarbazone; 59851-25-1; (10-hydroxyphenanthren-9-yl)iminothiourea; Ptq-mtsz; phenanthrenchinon monothiosemicarbazon; NSC134390; STK855229; ZINC17917941; AKOS005631311; ZINC100846164; MCULE-4633511415; NSC 134390; NSC-134390; 9,10-phenanthrenequinonethiosemicarbazone; (9E)-phenanthrene-9,10-dione 9-thiosemicarbazone; (2Z)-2-(10-oxophenanthren-9(10H)-ylidene)hydrazinecarbothioamide; (Z)-2-(10-oxophenanthren-9(10H)-ylidene)hydrazinecarbothioamide; Hydrazinecarbothioamide, 2-(10-oxo-9(10H)-phenanthrenylidene)-; 119521-67-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134390	.	.	.	.	281.3	C15H11N3OS	103	401	4.1	20	2	3	1	"InChI=1S/C15H11N3OS/c16-15(20)18-17-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)19/h1-8,19H,(H2,16,20)"	C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2N=NC(=S)N)O	GDHNUMIWWZGLCR-UHFFFAOYSA-N
DG60729	1-(2-methoxyphenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea	930589	"NSC668503; CHEMBL1762443; ZINC6424812; STK795112; ZINC03963864; ZINC03963865; AKOS001032409; AKOS005611836; AKOS030654606; MCULE-7276956862; NSC-668503; NCI60_023933; 1H-Indole-2,3-dione 3-(N-(2-methoxyphenyl)thiosemicarbazone); 1-(2-methoxyphenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea; (E)-N-(2-methoxyphenyl)-2-(2-oxoindolin-3-ylidene)hydrazinecarbothioamide; (2Z)-N-(2-methoxyphenyl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668503	.	.	.	.	326.4	C16H14N4O2S	114	448	4	23	3	4	3	"InChI=1S/C16H14N4O2S/c1-22-13-9-5-4-8-12(13)18-16(23)20-19-14-10-6-2-3-7-11(10)17-15(14)21/h2-9,17,21H,1H3,(H,18,23)"	COC1=CC=CC=C1NC(=S)N=NC2=C(NC3=CC=CC=C32)O	IEZNDNUPRTZGQQ-UHFFFAOYSA-N
DG60730	"10-(4-Methylphenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione"	931309	"310421-56-8; 10-(4-methylphenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione; MLS000590050; STK558857; SMR000219328; 7-Nitro-10-p-tolyl-10H-pyrimido[4,5-b]quinoline-2,4-dione; Oprea1_674828; HLI-98E; cid_931309; SCHEMBL3207245; CHEMBL1580345; BDBM80711; DTXSID80359008; HMS2540A05; ZINC9312859; NSC729133; AKOS005484198; AKOS030521842; MCULE-8729557585; NSC-729133; SR-01000436305; SR-01000436305-1; 7-nitro-10-(p-tolyl)pyrimido[4,5-b]quinoline-2,4-quinone; 10-(4-methylphenyl)-7-nitro-pyrimido[4,5-b]quinoline-2,4-dione; 7-nitro-10-(p-tolyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione; 4-hydroxy-10-(4-methylphenyl)-7-nitropyrimido[4,5-b]quinolin-2(10H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729133	.	.	.	.	348.3	C18H12N4O4	108	703	2.7	26	1	4	1	"InChI=1S/C18H12N4O4/c1-10-2-4-12(5-3-10)21-15-7-6-13(22(25)26)8-11(15)9-14-16(21)19-18(24)20-17(14)23/h2-9H,1H3,(H,20,23,24)"	CC1=CC=C(C=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=C4C2=NC(=O)NC4=O	AHOQBMMKXUYLMD-UHFFFAOYSA-N
DG60731	"4,9-dimethyl-8-[(4-methylphenyl)carbonyl]-2H-furo[2,3-h]chromen-2-one"	933766	"TCMDC-125583; CHEMBL529874; ZINC526781; MMV086103; NSC766744; STK617620; AKOS005551311; MCULE-3195806444; NSC-766744; 4,9-dimethyl-8-(4-toluoyl)-2h-furo[2,3-h]chrom-en-2-one; 4,9-dimethyl-8-(4-methylbenzoyl)-2H-furo[2,3-h]chromen-2-one; 4,9-dimethyl-8-[(4-methylphenyl)carbonyl]-2H-furo[2,3-h]chromen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766744	.	.	.	.	332.3	C21H16O4	56.5	587	4.6	25	0	4	2	"InChI=1S/C21H16O4/c1-11-4-6-14(7-5-11)19(23)20-13(3)18-16(24-20)9-8-15-12(2)10-17(22)25-21(15)18/h4-10H,1-3H3"	CC1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)C=CC4=C3OC(=O)C=C4C)C	AMDACVCCXDZOTC-UHFFFAOYSA-N
DG60732	"4-(1H-benzimidazol-2-ylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine"	934186	"TCMDC-123835; CHEMBL532597; ZINC527423; 4-(1H-benzimidazol-2-ylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine; MMV019266; NSC766626; STK845176; AKOS001201186; MCULE-1940445307; NSC-766626; SR-01000490676; SR-01000490676-1; 421578-49-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766626	.	.	.	.	312.4	C15H12N4S2	108	383	4.6	21	1	5	2	"InChI=1S/C15H12N4S2/c1-8-9(2)20-13-12(8)14(17-7-16-13)21-15-18-10-5-3-4-6-11(10)19-15/h3-7H,1-2H3,(H,18,19)"	CC1=C(SC2=C1C(=NC=N2)SC3=NC4=CC=CC=C4N3)C	NWDJYAXDXGNJBH-UHFFFAOYSA-N
DG60733	Orbinamon	941650	"trans-Thiothixene; (E)-Thiothixene; 3313-27-7; Orbinamon; UNII-7UE42HF37R; Navaron; 5591-45-7; Navan; 7UE42HF37R; CP-12,252-1 base; (9E)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide; P 4657B; 9H-Thioxanthene-2-sulfonamide,N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-; P-4657 B; P-4657-B; SMR000653538; trans-Tiotixen; NSC108165; N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]thioxanthene-2-sulfonamide; NCGC00015998-04; Thiothixene, (E)-; P-4657A; Spectrum5_001150; Lopac-T-0780; BSPBio_002022; MLS001146956; MLS001360493; SCHEMBL718331; SPECTRUM1500576; 2-(Dimethylsulfamoyl)-[9-(4-methyl-1-piperazinyl)propylidene]thioxanthene; CHEMBL1336727; BDBM86187; CHEBI:93708; HMS501A17; (E)-N,N-dimethyl-9-(3-(4-methylpiperazin-1-yl)propylidene)-9H-thioxanthene-2-sulfonamide; N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]thiaxanthene-2-sulfonamide; HMS1921E13; HMS2092M15; HMS2230H09; Pharmakon1600-01500576; NSC_5454; CCG-39271; NSC757350; PDSP1_000169; PDSP1_000550; PDSP2_000168; PDSP2_000548; ZINC29747244; AKOS024283092; AT12061; NSC-757350; IDI1_000335; Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, (E)-; trans-N,N-Dimethyl-9-(3-(4-methyl-piperazinyl)propylidene)thioxanthene-2-sulfonamide; NCGC00015998-01; NCGC00015998-02; NCGC00015998-03; NCGC00015998-06; NCGC00094793-01; NCGC00094793-02; NCGC00094793-04; SBI-0051534.P003; CAS_22189-31-7; AB00052109_11; L001204; SR-05000002078; SR-05000002078-1; BRD-K97309399-001-02-9; BRD-K97309399-001-05-2; Q27268863; UNII-LF886533UR component GFBKORZTTCHDGY-UFWORHAWSA-N; WLN: T C666 BS IYJ FSWN1&1 IU3- AT6N DNTJ D1; (9E)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]-9H-thioxanthene-2-sulfonamide; 9H-Thioxanthene-2-sulfonamide,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-; 9H-Thioxanthene-2-sulfonamide,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-, (Z)-; N,N-Dimethyl-9-(3-(4-methylpiperazin-1-yl)propylidene)-9H-thioxanthene-2-sulfonamide; Thioxanthene-2-sulfonamide,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-; cis-Thiothixene N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]thioxanthene-2-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	108165	.	.	.	.	443.6	C23H29N3O2S2	77.5	711	3.8	30	0	6	5	"InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8+"	CN1CCN(CC1)CC/C=C/2\\C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C	GFBKORZTTCHDGY-UFWORHAWSA-N
DG60734	"3-(4-chlorobenzyl)-6-ethoxy-3,4-dihydro-2H-1,3-benzoxazine"	945743	"3-(4-chlorobenzyl)-6-ethoxy-3,4-dihydro-2H-1,3-benzoxazine; CHEMBL592332; MMV000443; NSC766693; STL262823; ZINC53184724; AKOS001684784; CCG-118501; MCULE-5359874573; NSC-766693; SJ000043134; 848682-35-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766693	.	.	.	.	303.8	C17H18ClNO2	21.7	320	4.1	21	0	3	4	"InChI=1S/C17H18ClNO2/c1-2-20-16-7-8-17-14(9-16)11-19(12-21-17)10-13-3-5-15(18)6-4-13/h3-9H,2,10-12H2,1H3"	CCOC1=CC2=C(C=C1)OCN(C2)CC3=CC=C(C=C3)Cl	RRQWNGSEMNJXDW-UHFFFAOYSA-N
DG60735	N-(4-Ethoxyphenyl)-3-(2-furyl)-2-propenamide	963805	NSC667742; 853349-19-6; CHEMBL1994405; N-(4-ETHOXYPHENYL)-3-(2-FURYL)-2-PROPENAMIDE; ZINC574532; STK259678; AKOS002205446; NSC-667742; N-(4-Ethoxyphenyl)-3-(2-furyl)acrylamide; N-(4-Ethoxyphenyl)-3-(furan-2-yl)acrylamide; SR-01000014689; (E)-N-(4-ethoxyphenyl)-3-(furan-2-yl)acrylamide; SR-01000014689-1; (E)-N-(4-ethoxyphenyl)-3-(2-furyl)prop-2-enamide; F1736-0490; (2E)-N-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-enamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667742	.	.	.	.	257.279	C15H15NO3	51.5	309	2.6	19	1	3	5	"InChI=1S/C15H15NO3/c1-2-18-14-7-5-12(6-8-14)16-15(17)10-9-13-4-3-11-19-13/h3-11H,2H2,1H3,(H,16,17)/b10-9+"	CCOC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CO2	JNBHFGXTZZMXPN-MDZDMXLPSA-N
DG60736	"3-(3,4,5-Trimethoxybenzylidene)-2,3-dihydro-1H-indole-2-one"	964103	"SCHEMBL5472460; NSC736805; STK328353; ZINC12339639; AKOS005145326; NSC-736805; (Z)-3-(3,4,5-trimethoxybenzylidene)indolin-2-one; 3-(3,4,5-Trimethoxybenzylidene)-2,3-dihydro-1H-indole-2-one; (3Z)-3-(3,4,5-trimethoxybenzylidene)-1,3-dihydro-2H-indol-2-one; 1191386-66-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736805	.	.	.	.	311.3	C18H17NO4	56.8	450	2.8	23	1	4	4	"InChI=1S/C18H17NO4/c1-21-15-9-11(10-16(22-2)17(15)23-3)8-13-12-6-4-5-7-14(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-8-"	COC1=CC(=CC(=C1OC)OC)/C=C\\2/C3=CC=CC=C3NC2=O	FHTCRVQNMFJGLM-JYRVWZFOSA-N
DG60737	"(2E)-3-phenyl-N-(2,4,6-trimethylphenyl)prop-2-enamide"	966731	"NSC191384; (2E)-3-phenyl-N-(2,4,6-trimethylphenyl)prop-2-enamide; N-mesityl-3-phenylacrylamide; Salor-int l448311-1ea; CHEMBL2002800; SCHEMBL13755322; ZINC580854; CCG-35190; STK149128; AKOS001061246; NSC-191384; (2E)-N-mesityl-3-phenyl-2-propenamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	191384	.	.	.	.	265.3	C18H19NO	29.1	331	4.3	20	1	1	3	"InChI=1S/C18H19NO/c1-13-11-14(2)18(15(3)12-13)19-17(20)10-9-16-7-5-4-6-8-16/h4-12H,1-3H3,(H,19,20)/b10-9+"	CC1=CC(=C(C(=C1)C)NC(=O)/C=C/C2=CC=CC=C2)C	QQGNTDGNJKWWPV-MDZDMXLPSA-N
DG60738	2-[4-[(4-Bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylacetic acid	992586	"UMI-77; 518303-20-3; UMI77; C18H14BrNO5S2; 2-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylacetic acid; MLS001196198; SMR000558497; [(4-{[(4-bromophenyl)sulfonyl]amino}-1-hydroxy-2-naphthyl)thio]acetic acid; 2-((4-((4-bromophenyl)sulfonamido)-1-hydroxynaphthalen-2-yl)thio)acetic acid; 2-((4-(4-Bromophenylsulfonamido)-1-hydroxynaphthalen-2-yl)thio)acetic acid; 2-[[4-[[(4-Bromophenyl)sulfonyl]amino]-1-hydroxy-2-naphthalenyl]thio]-acetic acid; cid_992586; GTPL8105; UMI 77; CHEMBL1331211; SCHEMBL14842934; BDBM53290; AOB6936; EX-A762; HMS3748M13; BCP09696; ZINC4149952; 2780AH; MFCD03471890; NSC787960; s7531; STK238370; AKOS001057042; CCG-264731; CS-5046; MCULE-2580729398; NSC-787960; SB19399; NCGC00386409-01; AC-32978; AS-55879; DA-42224; HY-18628; UMI-77, >=98% (HPLC); EU-0015042; FT-0700054; VU0066939-2; A14222; F17396; A857065; SR-01000800996; SR-01000800996-2; BRD-K33622393-001-10-1; BRD-K33622393-001-11-9; Q27089082; 2-[[4-(brosylamino)-1-hydroxy-2-naphthyl]thio]acetic acid; [(4-{[(4-bromophenyl)sulfonyl]amino}-1-hydroxynaphthalen-2-yl)sulfanyl]acetic acid; 2-[[4-[(4-bromophenyl)sulfonylamino]-1-hydroxy-2-naphthalenyl]thio]acetic acid; 2-[4-[(4-bromophenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylethanoic acid; 2-{[4-(4-bromobenzenesulfonamido)-1-hydroxynaphthalen-2-yl]sulfanyl}acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787960	.	.	.	.	468.3	C18H14BrNO5S2	137	618	4.1	27	3	7	6	"InChI=1S/C18H14BrNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)"	C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br	WUGANDSUVKXMEC-UHFFFAOYSA-N
DG60739	"N-(1-benzylpiperidin-4-yl)-5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide"	1000261	"CHEMBL2028045; ZINC655424; MMV396635; NSC766761; STK449674; AKOS003293694; MCULE-9439088364; NSC-766761; N-(1-benzylpiperidin-4-yl)-5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766761	.	.	.	.	520	C24H21ClF3N5OS	90.8	734	5.3	35	1	8	5	"InChI=1S/C24H21ClF3N5OS/c25-21-7-6-19(35-21)17-12-20(24(26,27)28)33-22(30-17)13-18(31-33)23(34)29-16-8-10-32(11-9-16)14-15-4-2-1-3-5-15/h1-7,12-13,16H,8-11,14H2,(H,29,34)"	C1CN(CCC1NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(S4)Cl)C(F)(F)F)CC5=CC=CC=C5	BOJAXOHWYZMMKZ-UHFFFAOYSA-N
DG60740	"2-[4-(diethylamino)benzylidene]-7-nitro-3,4-dihydro-1(2H)-naphthalenone"	1008484	"NSC665351; CHEMBL1969366; ZINC668110; NSC-665351; AN-308/15495036; 2-[4-(diethylamino)benzylidene]-7-nitro-3,4-dihydro-1(2H)-naphthalenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665351	.	.	.	.	350.4	C21H22N2O3	66.1	542	4.8	26	0	4	4	"InChI=1S/C21H22N2O3/c1-3-22(4-2)18-10-5-15(6-11-18)13-17-8-7-16-9-12-19(23(25)26)14-20(16)21(17)24/h5-6,9-14H,3-4,7-8H2,1-2H3/b17-13+"	CCN(CC)C1=CC=C(C=C1)/C=C/2\\CCC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]	CWMQDTJZFNUOEC-GHRIWEEISA-N
DG60741	"4-(4-Bromophenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-6,8-dihydroquinoline-3-carbonitrile"	1015890	"NSC666137; Oprea1_731489; CHEMBL2002530; ZINC5155518; NSC-666137; NCI60_022956; 4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-6,8-dihydroquinoline-3-carbonitrile; 4-(4-Bromophenyl)-2-mercapto-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-3-quinolinecarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666137	.	.	.	.	387.3	C18H15BrN2OS	85	687	3.3	23	1	3	1	"InChI=1S/C18H15BrN2OS/c1-18(2)7-13-16(14(22)8-18)15(12(9-20)17(23)21-13)10-3-5-11(19)6-4-10/h3-6H,7-8H2,1-2H3,(H,21,23)"	CC1(CC2=C(C(=O)C1)C(=C(C(=S)N2)C#N)C3=CC=C(C=C3)Br)C	WGNSUWGQZFXHLG-UHFFFAOYSA-N
DG60742	"3-amino-N-(2-chlorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide"	1025279	"3-amino-N-(2-chlorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide; 496788-10-4; 6-amino-N-(2-chlorophenyl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide; Oprea1_557038; CHEMBL3769818; ZINC691606; NSC778317; STK788824; AKOS025245658; MCULE-3129034072; NSC-778317; AN-919/40866532"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	778317	.	.	.	.	385.9	C20H20ClN3OS	96.2	507	6.2	26	2	4	2	"InChI=1S/C20H20ClN3OS/c21-14-8-5-6-10-16(14)23-19(25)18-17(22)13-11-12-7-3-1-2-4-9-15(12)24-20(13)26-18/h5-6,8,10-11H,1-4,7,9,22H2,(H,23,25)"	C1CCCC2=NC3=C(C=C2CC1)C(=C(S3)C(=O)NC4=CC=CC=C4Cl)N	LOCUPUCGSDKJSM-UHFFFAOYSA-N
DG60743	3-Allyl-5-(4-methoxybenzylidene)-2-thioxo-4-imidazolidinone	1041244	"NSC703020; CHEMBL1986001; ZINC8048467; STK968464; AKOS002222373; NSC-703020; AN-940/14896001; 3-allyl-5-(4-methoxybenzylidene)-2-thioxo-4-imidazolidinone; (5Z)-5-(4-methoxybenzylidene)-3-(prop-2-en-1-yl)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703020	.	.	.	.	274.34	C14H14N2O2S	73.7	412	2.5	19	1	3	4	"InChI=1S/C14H14N2O2S/c1-3-8-16-13(17)12(15-14(16)19)9-10-4-6-11(18-2)7-5-10/h3-7,9H,1,8H2,2H3,(H,15,19)/b12-9-"	COC1=CC=C(C=C1)/C=C\\2/C(=O)N(C(=S)N2)CC=C	BVIPBUYSOPOCSU-XFXZXTDPSA-N
DG60744	1-(4-Chlorophenyl)-3-[4-(3-chlorophenyl)-1-piperazinyl]-2-propen-1-one	1046791	NSC725059; ZINC721375; AKOS024373093; NSC-725059; AG-401/12656002; 1-(4-Chloro-phneyl)-3-[4-(3-chloro-phenyl)-piperazin-1-yl]-p ropenone; 1-(4-chlorophenyl)-3-[4-(3-chlorophenyl)-1-piperazinyl]-2-propen-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725059	.	.	.	.	361.3	C19H18Cl2N2O	23.6	441	4.8	24	0	3	4	"InChI=1S/C19H18Cl2N2O/c20-16-6-4-15(5-7-16)19(24)8-9-22-10-12-23(13-11-22)18-3-1-2-17(21)14-18/h1-9,14H,10-13H2/b9-8+"	C1CN(CCN1/C=C/C(=O)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Cl	IPEZGIFPGVLPHU-CMDGGOBGSA-N
DG60745	"10-(3-Chlorophenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione"	1114144	"317326-90-2; HLI98C; 10-(3-Chloro-phenyl)-7-nitro-10H-pyrimido[4,5-b]quinoline-2,4-dione; AC1LLQ0L; Oprea1_545450; Oprea1_576229; CHEMBL390810; SCHEMBL3217245; DTXSID60360455; ZINC848935; 10-(3-chlorophenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione; NSC729131; NSC-729131; A13654; SR-01000436303; SR-01000436303-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729131	.	.	.	.	368.7	C17H9ClN4O4	108	716	2.9	26	1	4	1	"InChI=1S/C17H9ClN4O4/c18-10-2-1-3-11(8-10)21-14-5-4-12(22(25)26)6-9(14)7-13-15(21)19-17(24)20-16(13)23/h1-8H,(H,20,23,24)"	C1=CC(=CC(=C1)Cl)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=C4C2=NC(=O)NC4=O	BRCGPVHRBGGGPW-UHFFFAOYSA-N
DG60746	"10-(4-chlorophenyl)-7-nitropyrimido[4,5-b]quinoline-2,4(3H,10H)-dione"	1114145	"CHEMBL239274; 317326-91-3; 10-(4-chlorophenyl)-7-nitropyrimido[4,5-b]quinoline-2,4(3H,10H)-dione; 10-(4-chlorophenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione; Oprea1_230078; Oprea1_782832; HLI-98D; SCHEMBL3204200; DTXSID20360456; ZINC848936; BDBM50442793; NSC729132; STK711990; AKOS001620852; MCULE-2799984604; NSC-729132; BB 0262710; EU-0071888; SR-01000436304; SR-01000436304-1; 10-(4-chlorophenyl)-7-nitro-pyrimido[4,5-b]quinoline-2,4-dione; Pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 10-(4-chlorophenyl)-7-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729132	.	.	.	.	368.7	C17H9ClN4O4	108	708	2.9	26	1	4	1	"InChI=1S/C17H9ClN4O4/c18-10-1-3-11(4-2-10)21-14-6-5-12(22(25)26)7-9(14)8-13-15(21)19-17(24)20-16(13)23/h1-8H,(H,20,23,24)"	C1=CC(=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])C=C4C2=NC(=O)NC4=O)Cl	NGFVSPNFZJSTPT-UHFFFAOYSA-N
DG60747	4-[6-[[2-(4-aminophenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]aniline	1160282	TCMDC-123486; GNF-Pf-4694; Oprea1_666542; Oprea1_812952; CBDivE_010873; CHEMBL548209; SCHEMBL16273449; SCHEMBL21887627; SCHEMBL23119357; ZINC1145631; MMV665943; NSC766701; AKOS000637328; MCULE-2392993986; NSC-766701; SJ000110765; SR-01000394757; SR-01000394757-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766701	.	.	.	.	430.5	C27H22N6	109	589	4.9	33	4	4	4	"InChI=1S/C27H22N6/c28-20-7-3-18(4-8-20)26-30-22-11-1-16(14-24(22)32-26)13-17-2-12-23-25(15-17)33-27(31-23)19-5-9-21(29)10-6-19/h1-12,14-15H,13,28-29H2,(H,30,32)(H,31,33)"	C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)CC4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)N)N	SCUWNIHBUXBXKG-UHFFFAOYSA-N
DG60748	"N-(2-methoxyphenyl)-5-methyl-4-oxo-3-(2-phenoxyethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide"	1178182	"ZINC935973; NSC730214; STL230110; AKOS002243799; MCULE-1862409034; NSC-730214; N6-(2-methoxyphenyl)-5-methyl-4-oxo-3-(2-phenoxyethyl)-3,3-d]pyrimidine-6-carboxamide; N-(2-methoxyphenyl)-5-methyl-4-oxo-3-(2-phenoxyethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730214	.	.	.	.	435.5	C23H21N3O4S	109	669	4.1	31	1	6	7	"InChI=1S/C23H21N3O4S/c1-15-19-22(31-20(15)21(27)25-17-10-6-7-11-18(17)29-2)24-14-26(23(19)28)12-13-30-16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3,(H,25,27)"	CC1=C(SC2=C1C(=O)N(C=N2)CCOC3=CC=CC=C3)C(=O)NC4=CC=CC=C4OC	XYCHMKDCYAZVRU-UHFFFAOYSA-N
DG60749	"3-acetyl-1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolylamino)phenylcarboxamido]benzene"	1178251	"ZINC936095; MFCD06009168; NSC732834; AKOS002243729; MCULE-3643435128; NSC-732834; 3-acetyl-1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3- pyrrolylamino)phenylcarboxamido]benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732834	.	.	.	.	473.9	C26H20ClN3O4	95.6	843	4.1	34	2	5	7	"InChI=1S/C26H20ClN3O4/c1-16(31)19-8-5-9-21(14-19)29-24(32)18-10-12-20(13-11-18)28-23-22(27)25(33)30(26(23)34)15-17-6-3-2-4-7-17/h2-14,28H,15H2,1H3,(H,29,32)"	CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl	INVWQVSPEKDLLL-UHFFFAOYSA-N
DG60750	"6-amino-5-(4-fluorobenzyl)-7-(1-methyl-1H-benzo[d]imidazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile"	1179229	"ZINC937430; MFCD04065814; NSC730035; AKOS002387291; MCULE-9215459069; NSC-730035; F3111-4386; 6-amino-5-(4-fluorobenzyl)-7-(1-methyl-1H-benzo[d]imidazol-2 -yl)-5H-pyrrolo[2,3-dicarbonitrile; 6-amino-5-(4-fluorobenzyl)-7-(1-methyl-1H-benzo[d]imidazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730035	.	.	.	.	422.4	C23H15FN8	122	781	2.9	32	1	7	3	"InChI=1S/C23H15FN8/c1-31-18-5-3-2-4-15(18)29-22(31)19-20-23(30-17(11-26)16(10-25)28-20)32(21(19)27)12-13-6-8-14(24)9-7-13/h2-9H,12,27H2,1H3"	CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC(=C(N=C34)C#N)C#N)CC5=CC=C(C=C5)F)N	GZRSMRFJRAULFS-UHFFFAOYSA-N
DG60751	"6-amino-5-(4-chlorobenzyl)-7-(1-methyl-1H-benzo[d]imidazol-2-yl)-5H-pyrrolo[2,3-dicarbonitrile"	1179230	"ZINC937431; MFCD04065815; NSC730036; AKOS002318134; MCULE-7775212011; NSC-730036; 6-amino-5-(4-chlorobenzyl)-7-(1-methyl-1H-benzo[d]imidazol-2 -yl)-5H-pyrrolo[2,3-dicarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730036	.	.	.	.	438.9	C23H15ClN8	122	781	3.4	32	1	6	3	"InChI=1S/C23H15ClN8/c1-31-18-5-3-2-4-15(18)29-22(31)19-20-23(30-17(11-26)16(10-25)28-20)32(21(19)27)12-13-6-8-14(24)9-7-13/h2-9H,12,27H2,1H3"	CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC(=C(N=C34)C#N)C#N)CC5=CC=C(C=C5)Cl)N	YHTIVQTYBRBYCK-UHFFFAOYSA-N
DG60752	"6-Amino-5-(3-chloroanilino)-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile"	1179233	"6-amino-5-[(3-chlorophenyl)amino]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile; 691396-46-0; ZINC937434; MFCD04065818; NSC730038; AKOS001290099; MCULE-9893030071; NSC-730038; 6-amino-5-(3-chloroanilino)-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile; Z223639782; 6-amino-5-(3-chloroanilino)-7-(1-methyl-1H-benzo[d]imidazol- 2-yl)-5H-pyrrolo[2,3-dicarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730038	.	.	.	.	439.9	C22H14ClN9	134	791	3.8	32	2	7	3	"InChI=1S/C22H14ClN9/c1-31-17-8-3-2-7-14(17)28-21(31)18-19-22(29-16(11-25)15(10-24)27-19)32(20(18)26)30-13-6-4-5-12(23)9-13/h2-9,30H,26H2,1H3"	CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC(=C(N=C34)C#N)C#N)NC5=CC(=CC=C5)Cl)N	HTZYYVZFVMGFDP-UHFFFAOYSA-N
DG60753	"3-Chloro-4-(3-chloroanilino)-1-(2-chlorobenzyl)-2,5-pyrroledione"	1179892	"ZINC938216; NSC732693; AKOS016401478; MCULE-8325995655; NSC-732693; 3-chloro-4-(3-chloroanilino)-1-(2-chlorobenzyl)-2,5-pyrroledione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732693	.	.	.	.	381.6	C17H11Cl3N2O2	49.4	552	4.8	24	1	3	4	"InChI=1S/C17H11Cl3N2O2/c18-11-5-3-6-12(8-11)21-15-14(20)16(23)22(17(15)24)9-10-4-1-2-7-13(10)19/h1-8,21H,9H2"	C1=CC=C(C(=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)Cl)Cl	PMEDTCIUPWICEC-UHFFFAOYSA-N
DG60754	"3-Chloro-1-(2-chlorobenzyl)-4-(3-trifluoromethylanilino)-2,5-pyrroledione"	1179893	"ZINC938217; NSC732694; AKOS001289974; MCULE-7121251524; NSC-732694; 3-chloro-1-(2-chlorobenzyl)-4-(3-trifluoromethylanilino)-2,5-pyrroledione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732694	.	.	.	.	415.2	C18H11Cl2F3N2O2	49.4	639	5.1	27	1	6	4	"InChI=1S/C18H11Cl2F3N2O2/c19-13-7-2-1-4-10(13)9-25-16(26)14(20)15(17(25)27)24-12-6-3-5-11(8-12)18(21,22)23/h1-8,24H,9H2"	C1=CC=C(C(=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(F)(F)F)Cl	TVVOBBMYKNSTAU-UHFFFAOYSA-N
DG60755	"3-chloro-4-(3-hydroxyanilino)-1-(2,5-trichlorophenyl)-2,5-dihydro-1H-2,5-pyrroledione"	1179894	"ZINC938218; MFCD05743840; NSC732695; AKOS002322510; MCULE-6997432068; NSC-732695; 3-chloro-4-(3-hydroxyanilino)-1-(2,5-trichlorophenyl)-2,5- dihydro-1H-2,5-pyrroledione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732695	.	.	.	.	418.1	C16H8Cl4N2O3	69.6	600	5.2	25	2	4	3	"InChI=1S/C16H8Cl4N2O3/c17-9-5-11(19)12(6-10(9)18)22-15(24)13(20)14(16(22)25)21-7-2-1-3-8(23)4-7/h1-6,21,23H"	C1=CC(=CC(=C1)O)NC2=C(C(=O)N(C2=O)C3=CC(=C(C=C3Cl)Cl)Cl)Cl	OUOPGBDTSQGDGI-UHFFFAOYSA-N
DG60756	"3-Chloro-4-(3-hydroxyanilino)-1-(4-methoxybenzyl)-2,5-pyrroledione"	1179896	"ZINC00938220; ZINC938220; MFCD05743842; NSC732793; AKOS002386656; MCULE-2365817190; NSC-732793; 3-chloro-4-(3-hydroxyanilino)-1-(4-methoxybenzyl)-2,5-pyrroledione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732793	.	.	.	.	358.8	C18H15ClN2O4	78.9	557	3.2	25	2	5	5	"InChI=1S/C18H15ClN2O4/c1-25-14-7-5-11(6-8-14)10-21-17(23)15(19)16(18(21)24)20-12-3-2-4-13(22)9-12/h2-9,20,22H,10H2,1H3"	COC1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)O	XCZQJRDPQQCUHP-UHFFFAOYSA-N
DG60757	"3-Chloro-1-[(2,4-dichlorophenyl)methyl]-4-(3-hydroxyanilino)pyrrole-2,5-dione"	1179901	ZINC938225; NSC732796; AKOS002386695; MCULE-2446530490; NSC-732796	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732796	.	.	.	.	397.6	C17H11Cl3N2O3	69.6	584	4.5	25	2	4	4	"InChI=1S/C17H11Cl3N2O3/c18-10-5-4-9(13(19)6-10)8-22-16(24)14(20)15(17(22)25)21-11-2-1-3-12(23)7-11/h1-7,21,23H,8H2"	C1=CC(=CC(=C1)O)NC2=C(C(=O)N(C2=O)CC3=C(C=C(C=C3)Cl)Cl)Cl	WZZMAAYXMSOGAC-UHFFFAOYSA-N
DG60758	"methyl 4-[3-chloro-4-(3-chloro-2-methylanilino)-2,5-dihyd ro-1H-1-pyrrolylmethyl]benzoate"	1179905	"ZINC938229; NSC732800; AKOS002386729; MCULE-1765619732; NSC-732800; methyl 4-[3-chloro-4-(3-chloro-2-methylanilino)-2,5-dihyd ro-1H-1-pyrrolylmethyl]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732800	.	.	.	.	419.3	C20H16Cl2N2O4	75.7	673	4.4	28	1	5	6	"InChI=1S/C20H16Cl2N2O4/c1-11-14(21)4-3-5-15(11)23-17-16(22)18(25)24(19(17)26)10-12-6-8-13(9-7-12)20(27)28-2/h3-9,23H,10H2,1-2H3"	CC1=C(C=CC=C1Cl)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)C(=O)OC)Cl	JLWZRISWFXACIY-UHFFFAOYSA-N
DG60759	"1-{4-[4-chloro-1-(2,5-dioxo-2,5-dihydro-1H-3-pyrrolylamino]phenylcarboxamido}-3-hydroxybenzene"	1179913	"ZINC938238; NSC732699; AKOS001109511; MCULE-4473079038; NSC-732699; AB00739172-01; 1-{4-[4-chloro-1-(2,5-dioxo-2,5-dihydro- 1H-3-pyrrolylamino]phenylcarboxamido}-3-hydroxybenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732699	.	.	.	.	516.799	C24H16Cl3N3O4	98.7	830	5.3	34	3	5	6	"InChI=1S/C24H16Cl3N3O4/c25-15-7-4-14(19(26)10-15)12-30-23(33)20(27)21(24(30)34)28-16-8-5-13(6-9-16)22(32)29-17-2-1-3-18(31)11-17/h1-11,28,31H,12H2,(H,29,32)"	C1=CC(=CC(=C1)O)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=C(C=C(C=C4)Cl)Cl)Cl	HGIDHZWXTQTOFI-UHFFFAOYSA-N
DG60760	"N1-(3-chloro-4-methoxyphenyl)-2-[1-benzyl-4-(3-bromoanilino)-2,5-dihydro-1H-3-pyrrolylsulfanyl]acetamide"	1179944	"ZINC938276; NSC732974; AKOS002387053; MCULE-4676377881; NSC-732974; N1-(3-chloro-4-methoxyphenyl)-2-[1-benzyl-4-(3-bromoanilino) -2,5-dihydro-1H-3-pyrrolylsulfanyl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732974	.	.	.	.	586.9	C26H21BrClN3O4S	113	853	5.6	36	2	6	9	"InChI=1S/C26H21BrClN3O4S/c1-35-21-11-10-19(13-20(21)28)29-22(32)15-36-24-23(30-18-9-5-8-17(27)12-18)25(33)31(26(24)34)14-16-6-3-2-4-7-16/h2-13,30H,14-15H2,1H3,(H,29,32)"	COC1=C(C=C(C=C1)NC(=O)CSC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=CC(=CC=C4)Br)Cl	NDBPJEPXBPJCJK-UHFFFAOYSA-N
DG60761	"3-chloro-1-(2,4-dichlorophenyl)-4-[(3-hydroxyphenyl)amino]-1H-pyrrole-2,5-dione"	1184375	"ZINC944828; MFCD02356923; NSC727736; STL331023; AKOS002261797; MCULE-1923990988; NSC-727736; SR-01000236373; SR-01000236373-1; 3-chloro-1-(2,4-dichlorophenyl)-4-[(3-hydroxyphenyl)amino]-1H-pyrrole-2,5-dione; 329226-23-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727736	.	.	.	.	383.6	C16H9Cl3N2O3	69.6	569	4.5	24	2	4	3	"InChI=1S/C16H9Cl3N2O3/c17-8-4-5-12(11(18)6-8)21-15(23)13(19)14(16(21)24)20-9-2-1-3-10(22)7-9/h1-7,20,22H"	C1=CC(=CC(=C1)O)NC2=C(C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)Cl)Cl	JWMXGUMDRBBSEW-UHFFFAOYSA-N
DG60762	"2-(2,4-dichlorophenyl)-N-(2-furylmethyl)quinazolin-4-amine"	1186904	"Neuro1_000504; Oprea1_337229; Oprea1_441314; HMS1613M11; ZINC948649; NSC727897; STK969329; AKOS001658663; MCULE-1498211445; NSC-727897; SR-01000488213; SR-01000488213-1; 2-(2,4-dichlorophenyl)-N-(2-furylmethyl)quinazolin-4-amine; 2-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)quinazolin-4-amine; N4-(2-furylmethyl)-2-(2,4-dichlorophenyl)-4-quinazolinyl(2-furylmethyl)amine; 384368-01-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727897	.	.	.	.	370.2	C19H13Cl2N3O	51	441	5.4	25	1	4	4	"InChI=1S/C19H13Cl2N3O/c20-12-7-8-14(16(21)10-12)19-23-17-6-2-1-5-15(17)18(24-19)22-11-13-4-3-9-25-13/h1-10H,11H2,(H,22,23,24)"	C1=CC=C2C(=C1)C(=NC(=N2)C3=C(C=C(C=C3)Cl)Cl)NCC4=CC=CO4	SYISKIXHFXNTKX-UHFFFAOYSA-N
DG60763	3-(4-Quinazolinylamino)phenyl 2-chlorobenzoate	1187613	MLS000575694; 3-(4-quinazolinylamino)phenyl 2-chlorobenzoate; SMR000196728; 3-(quinazolin-4-ylamino)phenyl 2-chlorobenzoate; Neuro1_000520; Oprea1_529171; CHEMBL1548815; BDBM46391; cid_1187613; HMS2345F20; ZINC949622; NSC728125; AKOS002257443; MCULE-1941787381; NSC-728125; [3-(quinazolin-4-ylamino)phenyl] 2-chlorobenzoate; [3-(quinazolin-4-ylamino)phenyl] 2-chloranylbenzoate; F3097-4561; 2-chlorobenzoic acid [3-(4-quinazolinylamino)phenyl] ester; 2-chlorobenzoic acid [3-(quinazolin-4-ylamino)phenyl] ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728125	.	.	.	.	375.8	C21H14ClN3O2	64.099	506	5.5	27	1	5	5	"InChI=1S/C21H14ClN3O2/c22-18-10-3-1-8-16(18)21(26)27-15-7-5-6-14(12-15)25-20-17-9-2-4-11-19(17)23-13-24-20/h1-13H,(H,23,24,25)"	C1=CC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)OC(=O)C4=CC=CC=C4Cl	RCXVWLCVTINCAH-UHFFFAOYSA-N
DG60764	"N6-phenyl-3-(3-chlorobenzyl)-5-methyl-4-oxo-3,3-d]pyrimidine-6-carboxamide"	1191776	"ZINC955597; NSC732903; AKOS002241850; MCULE-9515334835; NSC-732903; N6-phenyl-3-(3-chlorobenzyl)-5-methyl-4-oxo-3,3-d]pyrimidine-6-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732903	.	.	.	.	409.9	C21H16ClN3O2S	90	625	4.6	28	1	4	4	"InChI=1S/C21H16ClN3O2S/c1-13-17-20(28-18(13)19(26)24-16-8-3-2-4-9-16)23-12-25(21(17)27)11-14-6-5-7-15(22)10-14/h2-10,12H,11H2,1H3,(H,24,26)"	CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)Cl)C(=O)NC4=CC=CC=C4	KLTUIJIOSGTWOY-UHFFFAOYSA-N
DG60765	"3-(3,4-dichlorobenzyl)-6-phenylthieno[2,3-d]pyrimidin-4(3H)-one"	1191810	"Oprea1_857228; ZINC955634; NSC732882; STK917945; AKOS002241978; MCULE-2009010416; NSC-732882; 3-(3,4-dihydrothieno[2,3-d]pyri midin-4-one; 3-(3,4-dichlorobenzyl)-6-phenylthieno[2,3-d]pyrimidin-4(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732882	.	.	.	.	387.3	C19H12Cl2N2OS	60.9	526	5.3	25	0	3	3	"InChI=1S/C19H12Cl2N2OS/c20-15-7-6-12(8-16(15)21)10-23-11-22-18-14(19(23)24)9-17(25-18)13-4-2-1-3-5-13/h1-9,11H,10H2"	C1=CC=C(C=C1)C2=CC3=C(S2)N=CN(C3=O)CC4=CC(=C(C=C4)Cl)Cl	SFXRWLJRYTYHBI-UHFFFAOYSA-N
DG60766	"1-benzyl-3-(3-chloro-4-methylanilino)-4-(4,5-dihydro-1H-2,5-pyrroledione"	1194823	"ZINC959896; NSC743224; AKOS001147169; MCULE-5667660977; NSC-743224; 1-benzyl-3-(3-chloro-4-methylanilino)-4-(4,5-dihydro-1H-2,5-pyrroledione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743224	.	.	.	.	465	C24H21ClN4O2S	101	732	5.4	32	1	6	6	"InChI=1S/C24H21ClN4O2S/c1-14-9-10-18(12-19(14)25)28-20-21(32-24-26-15(2)11-16(3)27-24)23(31)29(22(20)30)13-17-7-5-4-6-8-17/h4-12,28H,13H2,1-3H3"	CC1=C(C=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C)Cl	FEHTUSJTZYDHNJ-UHFFFAOYSA-N
DG60767	"1-benzyl-3-(3-chloro-4-methoxyanilino)-4-(4,5-dihydro-1H-2,5-pyrroledione"	1194828	"NSC743215; AKOS001106188; NSC-743215; 1-benzyl-3-(3-chloro-4-methoxyanilino)-4-(4,5-dihydro-1H-2,5-pyrroledione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743215	.	.	.	.	481	C24H21ClN4O3S	110	750	5	33	1	7	7	"InChI=1S/C24H21ClN4O3S/c1-14-11-15(2)27-24(26-14)33-21-20(28-17-9-10-19(32-3)18(25)12-17)22(30)29(23(21)31)13-16-7-5-4-6-8-16/h4-12,28H,13H2,1-3H3"	CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=CC(=C(C=C4)OC)Cl)C	JHERQVUWCPKEKT-UHFFFAOYSA-N
DG60768	"1-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2,5-dimethoxybenzene"	1194860	"ZINC959937; NSC727958; AKOS002351755; MCULE-7070270371; NSC-727958; 1-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2,5-dimethoxybenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727958	.	.	.	.	491.9	C26H22ClN3O5	97	828	4.3	35	2	6	8	"InChI=1S/C26H22ClN3O5/c1-34-19-11-12-21(35-2)20(14-19)29-24(31)17-9-6-10-18(13-17)28-23-22(27)25(32)30(26(23)33)15-16-7-4-3-5-8-16/h3-14,28H,15H2,1-2H3,(H,29,31)"	COC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl	PMTJRWRVPUDTJC-UHFFFAOYSA-N
DG60769	"N1-(3-chlorophenyl)-3-(1-benzyl-4-chloro-2,5-dihyd ro-1H-3-pyrrolylamino)benzamide"	1194861	"NSC732820; NSC-732820; N1-(3-chlorophenyl)-3-(1-benzyl-4-chloro-2,5-dihyd ro-1H-3-pyrrolylamino)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732820	.	.	.	.	466.3	C24H17Cl2N3O3	78.5	766	5	32	2	4	6	"InChI=1S/C24H17Cl2N3O3/c25-17-9-5-11-19(13-17)28-22(30)16-8-4-10-18(12-16)27-21-20(26)23(31)29(24(21)32)14-15-6-2-1-3-7-15/h1-13,27H,14H2,(H,28,30)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)Cl	VVEZBISVCZRHRF-UHFFFAOYSA-N
DG60770	"1-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2-chlorobenzene"	1194862	"ZINC959939; NSC732821; AKOS002351239; MCULE-1892585218; NSC-732821; 1-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2-chlorobenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732821	.	.	.	.	466.3	C24H17Cl2N3O3	78.5	766	5	32	2	4	6	"InChI=1S/C24H17Cl2N3O3/c25-18-11-4-5-12-19(18)28-22(30)16-9-6-10-17(13-16)27-21-20(26)23(31)29(24(21)32)14-15-7-2-1-3-8-15/h1-13,27H,14H2,(H,28,30)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4Cl	GFYALUMHDMBHSC-UHFFFAOYSA-N
DG60771	"N1-(4-chlorophenyl)-3-(1-benzyl-4-chloro-2,5-dihyd ro-1H-3-pyrrolylamino)benzamide"	1194863	"ZINC959940; NSC732847; AKOS002258165; MCULE-3960590869; NSC-732847; N1-(4-chlorophenyl)-3-(1-benzyl-4-chloro-2,5-dihyd ro-1H-3-pyrrolylamino)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732847	.	.	.	.	466.3	C24H17Cl2N3O3	78.5	758	5	32	2	4	6	"InChI=1S/C24H17Cl2N3O3/c25-17-9-11-18(12-10-17)28-22(30)16-7-4-8-19(13-16)27-21-20(26)23(31)29(24(21)32)14-15-5-2-1-3-6-15/h1-13,27H,14H2,(H,28,30)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)Cl	CMXPMHNEKKOUPL-UHFFFAOYSA-N
DG60772	"N1-(3-trifluoromethylphenyl)-3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolylamino)benzamide"	1194866	"ZINC959943; NSC732822; AKOS001150105; MCULE-1170335063; NSC-732822; N1-(3-trifluoromethylphenyl)-3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolylamino)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732822	.	.	.	.	499.9	C25H17ClF3N3O3	78.5	857	5.3	35	2	7	6	"InChI=1S/C25H17ClF3N3O3/c26-20-21(24(35)32(23(20)34)14-15-6-2-1-3-7-15)30-18-10-4-8-16(12-18)22(33)31-19-11-5-9-17(13-19)25(27,28)29/h1-13,30H,14H2,(H,31,33)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F	PPPNGPXWHKFCOP-UHFFFAOYSA-N
DG60773	"ethyl 4-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]benzoate"	1194875	"NSC732824; NSC-732824; ethyl 4-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732824	.	.	.	.	503.9	C27H22ClN3O5	105	877	4.6	36	2	6	9	"InChI=1S/C27H22ClN3O5/c1-2-36-27(35)18-11-13-20(14-12-18)30-24(32)19-9-6-10-21(15-19)29-23-22(28)25(33)31(26(23)34)16-17-7-4-3-5-8-17/h3-15,29H,2,16H2,1H3,(H,30,32)"	CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl	MEXSBRQKOGSBNE-UHFFFAOYSA-N
DG60774	"N1-(4-sulfamoylphenyl)-3-(1-benzyl-4-chloro-2,5-di hydro-1H-3-pyrrolylamino)benzamide"	1194898	"ZINC959976; NSC732849; AKOS001147821; MCULE-2702732538; NSC-732849; N1-(4-sulfamoylphenyl)-3-(1-benzyl-4-chloro-2,5-di hydro-1H-3-pyrrolylamino)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732849	.	.	.	.	510.9	C24H19ClN4O5S	147	965	3	35	3	7	7	"InChI=1S/C24H19ClN4O5S/c25-20-21(24(32)29(23(20)31)14-15-5-2-1-3-6-15)27-18-8-4-7-16(13-18)22(30)28-17-9-11-19(12-10-17)35(26,33)34/h1-13,27H,14H2,(H,28,30)(H2,26,33,34)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N	XVTAYNAPIJFSHK-UHFFFAOYSA-N
DG60775	"1-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-3-hydroxybenzene"	1194899	"ZINC959978; MFCD06009111; NSC732850; AKOS002257961; MCULE-2695851915; NSC-732850; 1-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-3-hydroxybenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732850	.	.	.	.	447.9	C24H18ClN3O4	98.7	764	4	32	3	5	6	"InChI=1S/C24H18ClN3O4/c25-20-21(24(32)28(23(20)31)14-15-6-2-1-3-7-15)26-17-9-4-8-16(12-17)22(30)27-18-10-5-11-19(29)13-18/h1-13,26,29H,14H2,(H,27,30)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)O	JDWCNIKACSXAOM-UHFFFAOYSA-N
DG60776	"N1-(4-methoxyphenyl)-4-(1-benzyl-4-chloro-2,5-dihy dro-1H-3-pyrrolylamino)benzamide"	1194933	"ZINC960012; NSC732825; AKOS002258144; MCULE-9546506514; NSC-732825; N1-(4-methoxyphenyl)-4-(1-benzyl-4-chloro-2,5-dihy dro-1H-3-pyrrolylamino)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732825	.	.	.	.	461.9	C25H20ClN3O4	87.7	764	4.4	33	2	5	7	"InChI=1S/C25H20ClN3O4/c1-33-20-13-11-19(12-14-20)28-23(30)17-7-9-18(10-8-17)27-22-21(26)24(31)29(25(22)32)15-16-5-3-2-4-6-16/h2-14,27H,15H2,1H3,(H,28,30)"	COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl	HTBHZKXGZOIISK-UHFFFAOYSA-N
DG60777	"1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-3-chloro-4-methylbenzene"	1194942	"ZINC960021; NSC732839; AKOS002257826; MCULE-9995952692; NSC-732839; 1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-3-chloro-4-methylbenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732839	.	.	.	.	480.3	C25H19Cl2N3O3	78.5	788	5.4	33	2	4	6	"InChI=1S/C25H19Cl2N3O3/c1-15-7-10-19(13-20(15)26)29-23(31)17-8-11-18(12-9-17)28-22-21(27)24(32)30(25(22)33)14-16-5-3-2-4-6-16/h2-13,28H,14H2,1H3,(H,29,31)"	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl)Cl	LXCPDUKVLSFTGI-UHFFFAOYSA-N
DG60778	"1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2-methoxybenzene"	1194947	"ZINC960026; NSC732826; AKOS002313785; MCULE-7072897637; NSC-732826; 1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2-methoxybenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732826	.	.	.	.	461.9	C25H20ClN3O4	87.7	772	4.4	33	2	5	7	"InChI=1S/C25H20ClN3O4/c1-33-20-10-6-5-9-19(20)28-23(30)17-11-13-18(14-12-17)27-22-21(26)24(31)29(25(22)32)15-16-7-3-2-4-8-16/h2-14,27H,15H2,1H3,(H,28,30)"	COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl	VFTPOBHHYQYYHZ-UHFFFAOYSA-N
DG60779	"1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-3-methoxybenzene"	1194948	"ZINC960027; NSC728129; AKOS002351227; MCULE-5733462529; NSC-728129; 1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-3-methoxybenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728129	.	.	.	.	461.9	C25H20ClN3O4	87.7	772	4.4	33	2	5	7	"InChI=1S/C25H20ClN3O4/c1-33-20-9-5-8-19(14-20)28-23(30)17-10-12-18(13-11-17)27-22-21(26)24(31)29(25(22)32)15-16-6-3-2-4-7-16/h2-14,27H,15H2,1H3,(H,28,30)"	COC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl	HWHVJBQXKHQXPH-UHFFFAOYSA-N
DG60780	"1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2,4-dimethoxybenzene"	1194951	"ZINC960030; NSC732827; AKOS002351242; MCULE-7225795903; NSC-732827; 1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2,4-dimethoxybenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732827	.	.	.	.	491.9	C26H22ClN3O5	97	820	4.3	35	2	6	8	"InChI=1S/C26H22ClN3O5/c1-34-19-12-13-20(21(14-19)35-2)29-24(31)17-8-10-18(11-9-17)28-23-22(27)25(32)30(26(23)33)15-16-6-4-3-5-7-16/h3-14,28H,15H2,1-2H3,(H,29,31)"	COC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl)OC	IQUFOLAVJGRBRF-UHFFFAOYSA-N
DG60781	"1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-3-chlorobenzene"	1194953	"ZINC960032; NSC728130; AKOS002257941; MCULE-3725826974; NSC-728130; 1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-3-chlorobenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728130	.	.	.	.	466.3	C24H17Cl2N3O3	78.5	758	5	32	2	4	6	"InChI=1S/C24H17Cl2N3O3/c25-17-7-4-8-19(13-17)28-22(30)16-9-11-18(12-10-16)27-21-20(26)23(31)29(24(21)32)14-15-5-2-1-3-6-15/h1-13,27H,14H2,(H,28,30)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl	YBYSBVXYNRCLBH-UHFFFAOYSA-N
DG60782	"N1-(4-chlorophenyl)-4-(1-benzyl-4-chloro-2,5-dihyd ro-1H-3-pyrrolylamino)benzamide"	1194955	"ZINC960034; NSC732828; AKOS002257966; MCULE-2592236727; NSC-732828; N1-(4-chlorophenyl)-4-(1-benzyl-4-chloro-2,5-dihyd ro-1H-3-pyrrolylamino)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732828	.	.	.	.	466.3	C24H17Cl2N3O3	78.5	750	5	32	2	4	6	"InChI=1S/C24H17Cl2N3O3/c25-17-8-12-19(13-9-17)28-22(30)16-6-10-18(11-7-16)27-21-20(26)23(31)29(24(21)32)14-15-4-2-1-3-5-15/h1-13,27H,14H2,(H,28,30)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)Cl	IXDZGAXCTALOFB-UHFFFAOYSA-N
DG60783	"N1-(4-fluorophenyl)-4-(1-benzyl-4-chloro-2,5-dihyd ro-1H-3-pyrrolylamino)benzamide"	1194957	"ZINC960036; NSC732830; AKOS002257989; MCULE-4105871077; NSC-732830; N1-(4-fluorophenyl)-4-(1-benzyl-4-chloro-2,5-dihyd ro-1H-3-pyrrolylamino)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732830	.	.	.	.	449.9	C24H17ClFN3O3	78.5	752	4.5	32	2	5	6	"InChI=1S/C24H17ClFN3O3/c25-20-21(24(32)29(23(20)31)14-15-4-2-1-3-5-15)27-18-10-6-16(7-11-18)22(30)28-19-12-8-17(26)9-13-19/h1-13,27H,14H2,(H,28,30)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)F	OAKWTGIONVUUEC-UHFFFAOYSA-N
DG60784	"1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-3-trifluoromethylbenzene"	1194958	"ZINC960037; NSC732841; AKOS001146541; MCULE-4231379580; NSC-732841; 1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-3-trifluoromethylbenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732841	.	.	.	.	499.9	C25H17ClF3N3O3	78.5	849	5.3	35	2	7	6	"InChI=1S/C25H17ClF3N3O3/c26-20-21(24(35)32(23(20)34)14-15-5-2-1-3-6-15)30-18-11-9-16(10-12-18)22(33)31-19-8-4-7-17(13-19)25(27,28)29/h1-13,30H,14H2,(H,31,33)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F	NBVPRZYAEFPQDZ-UHFFFAOYSA-N
DG60785	"methyl 3-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]benzoate"	1194961	"ZINC960040; NSC732842; AKOS002258089; MCULE-3949996755; NSC-732842; methyl 3-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732842	.	.	.	.	489.9	C26H20ClN3O5	105	861	4.3	35	2	6	8	"InChI=1S/C26H20ClN3O5/c1-35-26(34)18-8-5-9-20(14-18)29-23(31)17-10-12-19(13-11-17)28-22-21(27)24(32)30(25(22)33)15-16-6-3-2-4-7-16/h2-14,28H,15H2,1H3,(H,29,31)"	COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl	RKACGTWAFZTIHD-UHFFFAOYSA-N
DG60786	"methyl 4-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]benzoate"	1194965	"ZINC960044; NSC732843; AKOS002257853; MCULE-2056247610; NSC-732843; methyl 4-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732843	.	.	.	.	489.9	C26H20ClN3O5	105	853	4.3	35	2	6	8	"InChI=1S/C26H20ClN3O5/c1-35-26(34)18-9-13-20(14-10-18)29-23(31)17-7-11-19(12-8-17)28-22-21(27)24(32)30(25(22)33)15-16-5-3-2-4-6-16/h2-14,28H,15H2,1H3,(H,29,31)"	COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl	SOTICQMTINROSO-UHFFFAOYSA-N
DG60787	"1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2-fluorobenzene"	1194968	"ZINC960047; NSC732844; AKOS002257967; MCULE-9263767855; NSC-732844; 1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2-fluorobenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732844	.	.	.	.	449.9	C24H17ClFN3O3	78.5	760	4.5	32	2	5	6	"InChI=1S/C24H17ClFN3O3/c25-20-21(24(32)29(23(20)31)14-15-6-2-1-3-7-15)27-17-12-10-16(11-13-17)22(30)28-19-9-5-4-8-18(19)26/h1-13,27H,14H2,(H,28,30)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4F	MFLOSFQZRUKIHP-UHFFFAOYSA-N
DG60788	"1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-5-chloro-2-methoxybenzene"	1194969	"ZINC960048; NSC728134; AKOS002257968; MCULE-6901636856; NSC-728134; 1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-5-chloro-2-methoxybenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728134	.	.	.	.	496.3	C25H19Cl2N3O4	87.7	806	5	34	2	5	7	"InChI=1S/C25H19Cl2N3O4/c1-34-20-12-9-17(26)13-19(20)29-23(31)16-7-10-18(11-8-16)28-22-21(27)24(32)30(25(22)33)14-15-5-3-2-4-6-15/h2-13,28H,14H2,1H3,(H,29,31)"	COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl	COSIOPKLYDGTAW-UHFFFAOYSA-N
DG60789	"1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-4-sulfamoylbenzene"	1194988	"ZINC960068; NSC728135; AKOS002258068; MCULE-7804334100; NSC-728135; 1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-4-sulfamoylbenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728135	.	.	.	.	510.9	C24H19ClN4O5S	147	957	3	35	3	7	7	"InChI=1S/C24H19ClN4O5S/c25-20-21(24(32)29(23(20)31)14-15-4-2-1-3-5-15)27-17-8-6-16(7-9-17)22(30)28-18-10-12-19(13-11-18)35(26,33)34/h1-13,27H,14H2,(H,28,30)(H2,26,33,34)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N	CNHVPOYANZFEGM-UHFFFAOYSA-N
DG60790	"4-((1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(3,4-dimethoxyphenethyl)benzamide"	1194992	"ZINC960072; NSC732832; AKOS002351191; MCULE-4972706654; NSC-732832; F3284-5250; 1-{2-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrol ylamino)phenylcarboxamido]ethyl}-3,4-dimethoxybenzene; 4-((1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(3,4-dimethoxyphenethyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732832	.	.	.	.	520	C28H26ClN3O5	97	851	4.7	37	2	6	10	"InChI=1S/C28H26ClN3O5/c1-36-22-13-8-18(16-23(22)37-2)14-15-30-26(33)20-9-11-21(12-10-20)31-25-24(29)27(34)32(28(25)35)17-19-6-4-3-5-7-19/h3-13,16,31H,14-15,17H2,1-2H3,(H,30,33)"	COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl)OC	KPLDBPJRFJPJDN-UHFFFAOYSA-N
DG60791	"3-amino-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide"	1230668	"Oprea1_091201; Oprea1_787366; CHEMBL3769725; ZINC1010230; NSC778318; STL361005; AKOS022135763; MCULE-4697363780; NSC-778318; 3-amino-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide; 496866-41-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	778318	.	.	.	.	351.5	C20H21N3OS	96.2	468	5.6	25	2	4	2	"InChI=1S/C20H21N3OS/c21-17-15-12-13-8-4-1-2-7-11-16(13)23-20(15)25-18(17)19(24)22-14-9-5-3-6-10-14/h3,5-6,9-10,12H,1-2,4,7-8,11,21H2,(H,22,24)"	C1CCCC2=NC3=C(C=C2CC1)C(=C(S3)C(=O)NC4=CC=CC=C4)N	VHZIYMJMOLPSAC-UHFFFAOYSA-N
DG60792	N-(2-hydroxyphenyl)-3-{4-[(2-hydroxyphenyl)carbamoyl]phenoxy}benzamide	1230978	"TCMDC-125220; Oprea1_433312; CHEMBL261095; SCHEMBL18770381; ZINC1010611; MMV665888; NSC766527; STK223516; AKOS003264920; MCULE-8600392862; NSC-766527; 3,4'-Oxybis[N-(2-hydroxyphenyl)benzamide]; N-(2-hydroxyphenyl)-3-{4-[(2-hydroxyphenyl)carbamoyl]phenoxy}benzamide; 305360-30-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766527	.	.	.	.	440.4	C26H20N2O5	108	651	4.4	33	4	5	6	"InChI=1S/C26H20N2O5/c29-23-10-3-1-8-21(23)27-25(31)17-12-14-19(15-13-17)33-20-7-5-6-18(16-20)26(32)28-22-9-2-4-11-24(22)30/h1-16,29-30H,(H,27,31)(H,28,32)"	C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)OC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4O)O	ARMUMDQSBHKWPS-UHFFFAOYSA-N
DG60793	3-Hydroxyphenyl 3-phenylacrylate	1234720	3-Hydroxyphenyl 3-phenylacrylate; NSC700128; (3-hydroxyphenyl) (E)-3-phenylprop-2-enoate; MLS001182531; CHEMBL1998603; ZINC1017222; NSC-700128; Benzeneacrylic acid 3-hydroxyphenyl ester; SMR000477570	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700128	.	.	.	.	240.25	C15H12O3	46.5	292	3.4	18	1	3	4	"InChI=1S/C15H12O3/c16-13-7-4-8-14(11-13)18-15(17)10-9-12-5-2-1-3-6-12/h1-11,16H/b10-9+"	C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=CC(=C2)O	FBJBXBJXYQABMO-MDZDMXLPSA-N
DG60794	"(6E)-6-(p-tolylmethylene)-8,9-dihydro-7H-benzo[7]annulen-5-one"	1241474	"NSC687669; CHEMBL28471; ZINC1043995; CCG-53471; NSC-687669; 2-(4-Methylphenylmethylene)-1-benzosuberone; SR-01000642634-1; (6E)-6-(p-tolylmethylene)-8,9-dihydro-7H-benzo[7]annulen-5-one; 6-[(E)-4-Methylbenzylidene]-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687669	.	.	.	.	262.3	C19H18O	17.1	373	5	20	0	1	1	"InChI=1S/C19H18O/c1-14-9-11-15(12-10-14)13-17-7-4-6-16-5-2-3-8-18(16)19(17)20/h2-3,5,8-13H,4,6-7H2,1H3/b17-13+"	CC1=CC=C(C=C1)/C=C/2\\CCCC3=CC=CC=C3C2=O	LDCMXYLIKNLZEF-GHRIWEEISA-N
DG60795	5-[(4-Ethylphenyl)methylene]-2-thioxo-4-thiazolidinone	1271002	"10058-F4; 403811-55-2; 5-[(4-Ethylphenyl)methylene]-2-thioxo-4-thiazolidinone; (5E)-5-(4-ethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one; 5-(4-ethylbenzylidene)-2-thioxothiazolidin-4-one; c-Myc Inhibitor; 10058F4; (E)-5-(4-Ethylbenzylidene)-2-mercaptothiazol-4(5H)-one; 10058-F4 compound; 5-(4-ethylbenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one; CHEMBL1568415; SCHEMBL10042186; EX-A660; CHEBI:149696; HMS3260I13; ALBB-009118; Tox21_500046; MFCD00758517; MFCD04969046; NSC764582; s7153; ZINC12406714; (5E)-5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one; AKOS000307369; AKOS003017633; CCG-221350; CS-3965; LP00046; NSC-764582; SDCCGSBI-0633678.P001; NCGC00185994-01; NCGC00185994-10; NCGC00260731-01; AC-32727; AS-55984; HY-12702; c-Myc Inhibitor - CAS 403811-55-2; BB 0259511; SW219661-1; 10058-F4, >=98% (HPLC), solid; A13725; AB00084200-01; SR-01000208026; SR-01000208026-1; 5-(4-ethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one; 5-[(4-ethylphenyl)methylidene]-2-sulfanyl-4,5-dihydro-1,3-thiazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764582	.	.	.	.	249.4	C12H11NOS2	86.5	330	3.6	16	1	3	2	"InChI=1S/C12H11NOS2/c1-2-8-3-5-9(6-4-8)7-10-11(14)13-12(15)16-10/h3-7H,2H2,1H3,(H,13,14,15)/b10-7+"	CCC1=CC=C(C=C1)/C=C/2\\C(=O)NC(=S)S2	SVXDHPADAXBMFB-JXMROGBWSA-N
DG60796	"(5Z)-3-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one"	1273997	NSC711830; CHEMBL1998244; NSC-711830	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711830	.	.	.	.	484.6	C27H24N4O3S	95.5	819	5.6	35	0	7	6	"InChI=1S/C27H24N4O3S/c1-30(2)19-12-10-17(11-13-19)16-20-26(32)31(25(28-20)18-8-6-5-7-9-18)27-29-23-21(33-3)14-15-22(34-4)24(23)35-27/h5-16H,1-4H3/b20-16-"	CN(C)C1=CC=C(C=C1)/C=C\\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(C=CC(=C5S4)OC)OC	NGWMAPOKKPWLIJ-SILNSSARSA-N
DG60797	"3-amino-N-mesityl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	1282620	"3-amino-N-mesityl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; 496796-46-4; Oprea1_231367; SCHEMBL429331; CHEMBL2205752; ZINC1102090; NSC754571; STK841490; AKOS000607511; MCULE-9658914856; NSC-754571; 3-amino-5-oxo-N-(2,4,6-trimethylphenyl)-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide; F1109-0155; 3-amino-5-oxo-N-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754571	.	.	.	.	379.5	C21H21N3O2S	113	588	4.5	27	2	5	2	"InChI=1S/C21H21N3O2S/c1-10-7-11(2)18(12(3)8-10)24-20(26)19-17(22)14-9-13-15(23-21(14)27-19)5-4-6-16(13)25/h7-9H,4-6,22H2,1-3H3,(H,24,26)"	CC1=CC(=C(C(=C1)C)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N)C	SKOSNNUKRBUZHB-UHFFFAOYSA-N
DG60798	"3-amino-N-(3-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	1322520	"3-amino-N-(3-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; Oprea1_191584; Oprea1_357213; CHEMBL4776111; ZINC1152464; NSC777085; STK839434; AKOS000607230; MCULE-7302399215; NSC-777085; J3.555.175A; AB00114374-01; SR-01000484721; SR-01000484721-1; F1155-0341; 3-amino-5-oxo-N-(m-tolyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; N-(3-Methylphenyl)-3-amino-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; 369394-58-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777085	.	.	.	.	351.4	C19H17N3O2S	113	543	3.7	25	2	5	2	"InChI=1S/C19H17N3O2S/c1-10-4-2-5-11(8-10)21-18(24)17-16(20)13-9-12-14(22-19(13)25-17)6-3-7-15(12)23/h2,4-5,8-9H,3,6-7,20H2,1H3,(H,21,24)"	CC1=CC(=CC=C1)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N	YKZYPHQCTSQYGI-UHFFFAOYSA-N
DG60799	"3-bromo-N-[4-(1H-naphtho[2,3-d]imidazol-2-yl)phenyl]benzamide"	1331204	"TCMDC-123806; 3-bromo-N-[4-(1H-naphtho[2,3-d]imidazol-2-yl)phenyl]benzamide; CHEMBL587485; SCHEMBL18153436; ZINC1163320; MMV019241; NSC766707; STK223379; AKOS001664786; MCULE-3790670277; NSC-766707; EU-0046973"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766707	.	.	.	.	442.3	C24H16BrN3O	57.8	579	5.6	29	2	2	3	"InChI=1S/C24H16BrN3O/c25-19-7-3-6-18(12-19)24(29)26-20-10-8-15(9-11-20)23-27-21-13-16-4-1-2-5-17(16)14-22(21)28-23/h1-14H,(H,26,29)(H,27,28)"	C1=CC=C2C=C3C(=CC2=C1)NC(=N3)C4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)Br	DALJFINQIRVMMQ-UHFFFAOYSA-N
DG60800	"3-Chloro-1-(3-chloro-4-methylphenyl)-4-(3-hydroxyanilino)-2,5-pyrroledione"	1339767	"ZINC1174922; MFCD02356921; NSC727734; STL331883; AKOS002261778; MCULE-3919864624; NSC-727734; AB00682163-01; SR-01000235978; SR-01000235978-1; 3-chloro-1-(3-chloro-4-methylphenyl)-4-(3-hydroxyanilino)-2,5-pyrroledione; 3-chloro-1-(3-chloro-4-methylphenyl)-4-[(3-hydroxyphenyl)amino]-1H-pyrrole-2,5-dione; 369396-47-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727734	.	.	.	.	363.2	C17H12Cl2N2O3	69.6	566	4.3	24	2	4	3	"InChI=1S/C17H12Cl2N2O3/c1-9-5-6-11(8-13(9)18)21-16(23)14(19)15(17(21)24)20-10-3-2-4-12(22)7-10/h2-8,20,22H,1H3"	CC1=C(C=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)O)Cl	JFSRPLRXLGZZLF-UHFFFAOYSA-N
DG60801	"3-chloro-1-(2,3-dichlorophenyl)-4-[(3-hydroxyphenyl)amino]-1H-pyrrole-2,5-dione"	1339953	"ZINC1175140; MFCD02356924; NSC727737; STL330977; AKOS002261798; MCULE-8584655713; NSC-727737; AB00109221-01; SR-01000236076; SR-01000236076-1; 3-chloro-1-(2,3-dichlorophenyl)-4-[(3-hydroxyphenyl)amino]-1H-pyrrole-2,5-dione; 370846-00-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727737	.	.	.	.	383.6	C16H9Cl3N2O3	69.6	569	4.5	24	2	4	3	"InChI=1S/C16H9Cl3N2O3/c17-10-5-2-6-11(12(10)18)21-15(23)13(19)14(16(21)24)20-8-3-1-4-9(22)7-8/h1-7,20,22H"	C1=CC(=CC(=C1)O)NC2=C(C(=O)N(C2=O)C3=C(C(=CC=C3)Cl)Cl)Cl	OTQXJKJFLWTKJD-UHFFFAOYSA-N
DG60802	"(1E,4E)-1,5-bis(2,4-dimethoxyphenyl)penta-1,4-dien-3-one"	1352182	"NSC677240; (1E,4E)-1,5-bis(2,4-dimethoxyphenyl)penta-1,4-dien-3-one; Go-Y103; CHEMBL426862; SCHEMBL5598355; ZINC1190804; STK996891; AKOS002220249; NSC-677240; NCGC00160265-01; J3.658.770I; 1,5-Bis(2,4-dimethoxyphenyl)-1,4-pentadiene-3-one; 1,4-Pentadien-3-one, 1,5-bis(2,4-dimethoxyphenyl)-; 1,4-Pentadien-3-one, 1,5-bis(2,4-dimethoxyphenyl)-, (1E,4E)-; NCGC00160265-01!1,5-Bis-(2,4-dimethoxy-phenyl)-penta-1,4-dien-3-one; 143287-23-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677240	.	.	.	.	354.4	C21H22O5	54	445	4	26	0	5	8	"InChI=1S/C21H22O5/c1-23-18-11-7-15(20(13-18)25-3)5-9-17(22)10-6-16-8-12-19(24-2)14-21(16)26-4/h5-14H,1-4H3/b9-5+,10-6+"	COC1=CC(=C(C=C1)/C=C/C(=O)/C=C/C2=C(C=C(C=C2)OC)OC)OC	KSZJPQHIPKEEMF-NXZHAISVSA-N
DG60803	"4-(4,5-Diphenyl-1,3-dihydroimidazol-2-ylidene)-2,6-dimethoxycyclohexa-2,5-dien-1-one"	1355348	"TCMDC-125505; MMV020750; SR-03000000728-1; Oprea1_272671; CHEMBL587104; SCHEMBL12958682; BDBM67506; cid_5508729; ZINC1195613; NSC766777; STK743323; AKOS003202610; MCULE-3819125647; NSC-766777; 4-(4,5-diphenyl-1,3-dihydroimidazol-2-ylidene)-2,6-dimethoxycyclohexa-2,5-dien-1-one; 4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxy-phenol; 4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol; 4-(4,5-diphenyl-1,3-dihydroimidazol-2-ylidene)-2,6-dimethoxy-1-cyclohexa-2,5-dienone; 4-(4,5-diphenyl-1,3-dihydroimidazol-2-ylidene)-2,6-dimethoxy-cyclohexa-2,5-dien-1-one; 4-(4,5-diphenyl-4-imidazolin-2-ylidene)-2,6-dimethoxy-cyclohexa-2,5-dien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766777	.	.	.	.	372.4	C23H20N2O3	67.4	465	4.6	28	2	4	5	"InChI=1S/C23H20N2O3/c1-27-18-13-17(14-19(28-2)22(18)26)23-24-20(15-9-5-3-6-10-15)21(25-23)16-11-7-4-8-12-16/h3-14,26H,1-2H3,(H,24,25)"	COC1=CC(=CC(=C1O)OC)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4	GWQSXPMDIQADHQ-UHFFFAOYSA-N
DG60804	"(5Z)-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one"	1372564	"NSC329261; MLS002701818; NSC-329261; CHEMBL1331913; CCG-37066; NCGC00014768; NCI329261; STK828375; ZINC37865596; AKOS005608680; NCGC00014768-02; NCGC00097869-01; SMR001565411; BIM-0035279.P001; AB00099249-01; SR-01000221818; SR-01000221818-1; (5Z)-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329261	.	.	.	.	302.4	C14H10N2O2S2	104	439	2.5	20	0	5	3	"InChI=1S/C14H10N2O2S2/c17-13-12(7-10-3-1-5-15-8-10)20-14(19)16(13)9-11-4-2-6-18-11/h1-8H,9H2/b12-7-"	C1=CC(=CN=C1)/C=C\\2/C(=O)N(C(=S)S2)CC3=CC=CO3	RCSBRBMXPZDRNQ-GHXNOFRVSA-N
DG60805	"(5Z)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidine-2,4-dione"	1377751	"CHEMBL4167499; (5Z)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidine-2,4-dione; 1307299-57-5; MLS003115186; 5835-54-1; NSC237538; SBB039665; SCHEMBL13846678; DTXSID80362436; BDBM50368646; MFCD00171164; STL293631; ZINC12407217; 2, 5-(3-phenyl-2-propenylidene)-; AKOS000268188; NSC-237538; MS-11073; AB00079101-01; SR-01000203276; 5-((e)-3-phenylallylidene)thiazolidine-2,4-dione; SR-01000203276-1; 5-[(1Z)-3-Phenyl-2-propene-1-ylidene]thiazolidine-2,4-dione; 5-(3-PHENYLPROP-2-ENYLIDENE)-1,3-THIAZOLIDINE-2,4-DIONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	237538	.	.	.	.	231.27	C12H9NO2S	71.5	354	2.8	16	1	3	2	"InChI=1S/C12H9NO2S/c14-11-10(16-12(15)13-11)8-4-7-9-5-2-1-3-6-9/h1-8H,(H,13,14,15)/b7-4+,10-8-"	C1=CC=C(C=C1)/C=C/C=C\\2/C(=O)NC(=O)S2	XABHYXPBBJGVRA-DODKFZKMSA-N
DG60806	"3-amino-N-(5-chloro-2-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	1384950	"Oprea1_005089; Oprea1_374556; CHEMBL2205754; ZINC1240556; NSC754664; STK841734; AKOS000607415; MCULE-8488086302; NSC-754664; AB00147510-02; SR-01000497057; SR-01000497057-1; 3-amino-N-(5-chloro-2-methylphenyl)-5-oxo-5,6,7,8-; F1109-0060; 3-amino-N-(5-chloro-2-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; 442556-29-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754664	.	.	.	.	385.9	C19H16ClN3O2S	113	577	4.4	26	2	5	2	"InChI=1S/C19H16ClN3O2S/c1-9-5-6-10(20)7-14(9)22-18(25)17-16(21)12-8-11-13(23-19(12)26-17)3-2-4-15(11)24/h5-8H,2-4,21H2,1H3,(H,22,25)"	CC1=C(C=C(C=C1)Cl)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N	LTAQQOFWFGHLAW-UHFFFAOYSA-N
DG60807	"3-amino-N-(3,4-dimethylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	1386900	"442556-27-6; 3-amino-N-(3,4-dimethylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; 3-amino-N-(3,4-dimethylphenyl)-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide; Oprea1_208252; Oprea1_499760; CHEMBL4752336; ZINC1244992; NSC772490; STK841486; AKOS000607384; MCULE-4228874217; NSC-772490; 3-amino-N-(3,4-dimethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide; SR-01000497055; SR-01000497055-1; F1109-0058"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772490	.	.	.	.	365.5	C20H19N3O2S	113	571	4.1	26	2	5	2	"InChI=1S/C20H19N3O2S/c1-10-6-7-12(8-11(10)2)22-19(25)18-17(21)14-9-13-15(23-20(14)26-18)4-3-5-16(13)24/h6-9H,3-5,21H2,1-2H3,(H,22,25)"	CC1=C(C=C(C=C1)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N)C	DDPBRBGWSNFVGT-UHFFFAOYSA-N
DG60808	"3-amino-N-(2-methylphenyl)-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide"	1387507	"442556-58-3; Oprea1_428441; CHEMBL2205753; ZINC1246374; NSC754666; STL334336; AKOS022132163; MCULE-3259541865; NSC-754666; AB00147538-02; SR-01000497086; SR-01000497086-1; Z57194688; 3-amino-N-(2-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; 3-amino-N-(2-methylphenyl)-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754666	.	.	.	.	351.4	C19H17N3O2S	113	543	3.7	25	2	5	2	"InChI=1S/C19H17N3O2S/c1-10-5-2-3-6-13(10)21-18(24)17-16(20)12-9-11-14(22-19(12)25-17)7-4-8-15(11)23/h2-3,5-6,9H,4,7-8,20H2,1H3,(H,21,24)"	CC1=CC=CC=C1NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N	ZNLXWJRSDSUTLW-UHFFFAOYSA-N
DG60809	"3-amino-N-(3-chloro-2-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	1387536	"3-amino-N-(3-chloro-2-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; 442556-59-4; Oprea1_220907; Oprea1_230489; CHEMBL3132935; ZINC1246422; NSC771546; STK841716; AKOS000607512; MCULE-4566542600; NSC-771546; 3-amino-N-(3-chloro-2-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide; AB00147539-02; SR-01000497087; SR-01000497087-1; F1109-0157"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771546	.	.	.	.	385.9	C19H16ClN3O2S	113	577	4.4	26	2	5	2	"InChI=1S/C19H16ClN3O2S/c1-9-12(20)4-2-5-13(9)22-18(25)17-16(21)11-8-10-14(23-19(11)26-17)6-3-7-15(10)24/h2,4-5,8H,3,6-7,21H2,1H3,(H,22,25)"	CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N	PEPLRSOXCXBORF-UHFFFAOYSA-N
DG60810	"3-amino-N-(2-ethylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	1388734	"3-amino-N-(2-ethylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; 442556-56-1; Oprea1_056634; Oprea1_639211; CHEMBL4748511; ZINC1248980; NSC772491; STK841275; AKOS000607478; MCULE-4824658311; NSC-772491; 3-amino-N-(2-ethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide; AB00147536-02; SR-01000497084; SR-01000497084-1; F1109-0152"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772491	.	.	.	.	365.5	C20H19N3O2S	113	557	4.2	26	2	5	3	"InChI=1S/C20H19N3O2S/c1-2-11-6-3-4-7-14(11)22-19(25)18-17(21)13-10-12-15(23-20(13)26-18)8-5-9-16(12)24/h3-4,6-7,10H,2,5,8-9,21H2,1H3,(H,22,25)"	CCC1=CC=CC=C1NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N	YYSHBWVNTGSRGY-UHFFFAOYSA-N
DG60811	"Quinolinium, 4-(p-dimethylaminostyryl)-1-methyl-"	1405133	"NSC4239; MLS001018570; SMR000354809; Quinolinium, 4-(p-dimethylaminostyryl)-1-methyl--iodide; CHEMBL1622802; SCHEMBL14984145; BDBM94677; cid_16196127; DNDI1417149; ZINC1282581; AKOS001619129; MCULE-8090662132; NCGC00184046-01; NCGC00184046-02; NCGC00184046-03; NCGC00184046-04; NCGC00184046-05; NCGC00184046-06; NCGC00184046-07; NCGC00184046-08; NCGC00184046-09; NCGC00184046-10; NCGC00184046-11; NCGC00184046-12; NCGC00184046-13; NCGC00184046-14; NCGC00184046-15; NCGC00184046-16; NCGC00184046-17; NCGC00184432-01; NCGC00184432-02; NCGC00184432-03; Quinolinium, 4-(p-dimethylaminostyryl)-1-methyl-; 4-{(E)-2-[4-(dimethylamino)phenyl]vinyl}-1-methylquinolinium; N,N-dimethyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)vinyl]aniline; dimethyl-[4-[(E)-2-(1-methylquinolin-1-ium-4-yl)vinyl]phenyl]amine;iodide; N,N-Dimethyl-4-(2-(1-methyl-1lambda~5~-quinolin-4-yl)vinyl)aniline; dimethyl-[4-[(E)-2-(1-methylquinolin-1-ium-4-yl)vinyl]phenyl]amine;perchlorate; N,N-dimethyl-4-[(E)-2-(1-methyl-4-quinolin-1-iumyl)ethenyl]aniline;perchlorate; N,N-dimethyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline;perchlorate; N,N-Dimethyl-N-(4-(2-(1-methyl-1lambda~5~-quinolin-4-yl)vinyl)phenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4239	.	.	.	.	289.4	C20H21N2+	7.1	368	4.7	22	0	1	3	"InChI=1S/C20H21N2/c1-21(2)18-12-9-16(10-13-18)8-11-17-14-15-22(3)20-7-5-4-6-19(17)20/h4-15H,1-3H3/q+1"	C[N+]1=CC=C(C2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)C	KKVCEMBXOHNBRG-UHFFFAOYSA-N
DG60812	"(5E)-5-(1,3-benzodioxol-5-ylmethylene)-2-mercapto-1,3-thiazol-4(5H)-one"	1416279	"28824-66-0; (5E)-5-(1,3-benzodioxol-5-ylmethylene)-2-mercapto-1,3-thiazol-4(5H)-one; (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one; MS-1469; (E)-5-(Benzo[d][1,3]dioxol-5-ylmethylene)-2-mercaptothiazol-4(5H)-one; MLS002639370; NSC31059; DTXSID30362860; ALBB-009139; ZINC2536906; MFCD04969070; NSC-31059; AKOS000307427; AKOS000413906; MCULE-9193943993; 5-[3,4-Methylenedioxybenzylidene]rhodamine; 2W-0230; 4-Thiazolidinone, 5-(1,3-benzodioxol-5-ylmethylene)-2-thioxo-; (5E)-5-(1,3-Benzodioxol-5-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one; (5E)-5-(1,3-Benzodioxol-5-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one #; (5E)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one; 5-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-sulfanyl-1,3-thiazol-4(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	31059	.	.	.	.	265.3	C11H7NO3S2	105	396	2.6	17	1	5	1	"InChI=1S/C11H7NO3S2/c13-10-9(17-11(16)12-10)4-6-1-2-7-8(3-6)15-5-14-7/h1-4H,5H2,(H,12,13,16)/b9-4+"	C1OC2=C(O1)C=C(C=C2)/C=C/3\\C(=O)NC(=S)S3	NGCBEAPNPMOYEM-RUDMXATFSA-N
DG60813	"3-amino-N-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	1420003	"Oprea1_266467; CHEMBL3132949; ZINC1306849; NSC771550; STK544893; AKOS005473784; MCULE-3766180093; NSC-771550; AB00147535-02; SR-01000497083; SR-01000497083-1; 3-amino-N-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; 442556-55-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771550	.	.	.	.	387.5	C22H17N3O2S	113	629	4.6	28	2	5	2	"InChI=1S/C22H17N3O2S/c23-19-15-11-14-17(9-4-10-18(14)26)25-22(15)28-20(19)21(27)24-16-8-3-6-12-5-1-2-7-13(12)16/h1-3,5-8,11H,4,9-10,23H2,(H,24,27)"	C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC=CC5=CC=CC=C54)N)C(=O)C1	KJFWGPLKTISRPF-UHFFFAOYSA-N
DG60814	"3-amino-N-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	1420685	"3-amino-N-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; 383895-84-9; ChemDivAM_000617; ChemDiv1_028621; Oprea1_322809; Oprea1_745678; CHEMBL475636; HMS668E21; ZINC1308645; NSC753802; STK870702; AKOS000607197; MCULE-2217723849; NSC-753802; 3-amino-N-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide; AB00145013-02; SR-01000484719; SR-01000484719-1; Z56863527; F1155-0338; 3-amino-N-(3-chlorophenyl)-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753802	.	.	.	.	371.8	C18H14ClN3O2S	113	548	4	25	2	5	2	"InChI=1S/C18H14ClN3O2S/c19-9-3-1-4-10(7-9)21-17(24)16-15(20)12-8-11-13(22-18(12)25-16)5-2-6-14(11)23/h1,3-4,7-8H,2,5-6,20H2,(H,21,24)"	C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC(=CC=C4)Cl)N)C(=O)C1	OAIMKAKOSPTFCI-UHFFFAOYSA-N
DG60815	"4-[(3Z)-4-chloro-1-morpholin-4-yl-2,4-dinitrobuta-1,3-dienyl]morpholine"	1423778	"NSC665094; CHEMBL1981625; ZINC1315752; STL580261; 4-[(3Z)-4-chloro-1-morpholin-4-yl-2,4-dinitrobuta-1,3-dienyl]morpholine; NSC-665094; SR-01000110998; SR-01000110998-1; 4,4'-[(3Z)-4-chloro-2,4-dinitrobuta-1,3-diene-1,1-diyl]dimorpholine; 4-[(3Z)-4-chloro-1-morpholino-2,4-dinitro-buta-1,3-dienyl]morpholine; Morpholine, 4,4'-[(3Z)-4-chloro-2,4-dinitro-1,3-butadienylidene]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665094	.	.	.	.	348.74	C12H17ClN4O6	117	495	1.1	23	0	8	3	"InChI=1S/C12H17ClN4O6/c13-11(17(20)21)9-10(16(18)19)12(14-1-5-22-6-2-14)15-3-7-23-8-4-15/h9H,1-8H2/b11-9+"	C1COCCN1C(=C(/C=C(/[N+](=O)[O-])\\Cl)[N+](=O)[O-])N2CCOCC2	WYHRUYFCMWYDBZ-PKNBQFBNSA-N
DG60816	"6-Amino-7-(benzenesulfonyl)-5-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile"	1426067	"6-amino-5-(4-chlorobenzyl)-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile; ZINC1320773; MFCD04065824; NSC730041; AKOS001290100; MCULE-3563893706; NSC-730041; 6-amino-7-(benzenesulfonyl)-5-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile; AB00764592-01; 691396-52-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730041	.	.	.	.	448.9	C21H13ClN6O2S	147	846	3.6	31	1	7	4	"InChI=1S/C21H13ClN6O2S/c22-14-8-6-13(7-9-14)12-28-20(25)19(31(29,30)15-4-2-1-3-5-15)18-21(28)27-17(11-24)16(10-23)26-18/h1-9H,12,25H2"	C1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC(=C(N=C23)C#N)C#N)CC4=CC=C(C=C4)Cl)N	UEHAXFDZLXGLTA-UHFFFAOYSA-N
DG60817	"ethyl 3-[2-(4-fluorophenylcarbamoyl)-5-oxo-7-propyl-5H-[1,2-a]pyrimidin-3-ylcarboxamido]benzoate"	1426141	"ZINC1320847; NSC743218; AKOS001106714; MCULE-7239412773; NSC-743218; ethyl 3-[2-(4-fluorophenylcarbamoyl)-5-oxo-7-propyl-5H-[1,2-a]pyrimidin-3-ylcarboxamido]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743218	.	.	.	.	522.5	C26H23FN4O5S	143	1030	3.7	37	2	8	9	"InChI=1S/C26H23FN4O5S/c1-3-6-18-14-20(32)31-21(23(33)29-19-8-5-7-15(13-19)25(35)36-4-2)22(37-26(31)30-18)24(34)28-17-11-9-16(27)10-12-17/h5,7-14H,3-4,6H2,1-2H3,(H,28,34)(H,29,33)"	CCCC1=CC(=O)N2C(=C(SC2=N1)C(=O)NC3=CC=C(C=C3)F)C(=O)NC4=CC=CC(=C4)C(=O)OCC	QNYCJSIZVZPGHI-UHFFFAOYSA-N
DG60818	"N2,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide"	1426143	"NSC743219; AKOS001105528; NSC-743219; N2,3]thiazolo[3,2 -a]pyrimidine-2,3-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743219	.	.	.	.	468.5	C23H18F2N4O3S	116	903	3.6	33	2	7	6	"InChI=1S/C23H18F2N4O3S/c1-2-3-17-12-18(30)29-19(21(31)26-15-8-4-13(24)5-9-15)20(33-23(29)28-17)22(32)27-16-10-6-14(25)7-11-16/h4-12H,2-3H2,1H3,(H,26,31)(H,27,32)"	CCCC1=CC(=O)N2C(=C(SC2=N1)C(=O)NC3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)F	BGSYOYUBPHBJFH-UHFFFAOYSA-N
DG60819	"N2-(4-fluorophenyl)-N3-(2-methoxyphenyl)-5-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide"	1426145	"ZINC1320851; NSC743220; AKOS001105641; MCULE-9732018367; NSC-743220; Z99600684; 785846-99-3; N2-(4-fluorophenyl)-N3-(2-methoxyphenyl)-5-oxo-7-propyl-5H-[ 1,2-a]pyrimidine-2,3-dicarboxamide; N2-(4-fluorophenyl)-N3-(2-methoxyphenyl)-5-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743220	.	.	.	.	480.5	C24H21FN4O4S	125	926	3.5	34	2	7	7	"InChI=1S/C24H21FN4O4S/c1-3-6-16-13-19(30)29-20(22(31)28-17-7-4-5-8-18(17)33-2)21(34-24(29)27-16)23(32)26-15-11-9-14(25)10-12-15/h4-5,7-13H,3,6H2,1-2H3,(H,26,32)(H,28,31)"	CCCC1=CC(=O)N2C(=C(SC2=N1)C(=O)NC3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4OC	FLDJSHYBVUQNBH-UHFFFAOYSA-N
DG60820	"N3-(4-chloro-3-methylphenyl)-N2-(4-fluorophenyl)-5-oxo-7-pro pyl-5H-[1,2-a]pyrimidine-2,3-dicarboxamide"	1426152	"ZINC1320858; NSC743221; AKOS001105421; MCULE-2540211337; NSC-743221; AB00742560-01; N3-(4-chloro-3-methylphenyl)-N2-(4-fluorophenyl)-5-oxo-7-pro pyl-5H-[1,2-a]pyrimidine-2,3-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743221	.	.	.	.	499	C24H20ClFN4O3S	116	945	4.5	34	2	6	6	"InChI=1S/C24H20ClFN4O3S/c1-3-4-17-12-19(31)30-20(22(32)29-18-10-5-14(25)11-13(18)2)21(34-24(30)28-17)23(33)27-16-8-6-15(26)7-9-16/h5-12H,3-4H2,1-2H3,(H,27,33)(H,29,32)"	CCCC1=CC(=O)N2C(=C(SC2=N1)C(=O)NC3=CC=C(C=C3)F)C(=O)NC4=C(C=C(C=C4)Cl)C	XRBGBMZQHJUDGO-UHFFFAOYSA-N
DG60821	"6-[4-(Dimethylamino)benzylidene]-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-one"	1427939	"NSC687676; 101001-12-1; (6E)-6-{[4-(dimethylamino)phenyl]methylidene}-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one; 6-[4-(Dimethylamino)benzylidene]-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-one; (6E)-6-[[4-(dimethylamino)phenyl]methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one; CHEMBL30022; 6-{(E)-[4-(dimethylamino)phenyl]methylidene}-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one; ZINC1323734; AKOS005094287; NSC-687676; 2-(4-Dimethylaminophenylmethylene)-1-benzosuberone; 5T-0302; (6E)-6-[(4-dimethylaminophenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one; 6-[(E)-4-(Dimethylamino)benzylidene]-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687676	.	.	.	.	291.4	C20H21NO	20.3	417	4.7	22	0	2	2	"InChI=1S/C20H21NO/c1-21(2)18-12-10-15(11-13-18)14-17-8-5-7-16-6-3-4-9-19(16)20(17)22/h3-4,6,9-14H,5,7-8H2,1-2H3/b17-14+"	CN(C)C1=CC=C(C=C1)/C=C/2\\CCCC3=CC=CC=C3C2=O	VWPPUIVJOSQTOP-SAPNQHFASA-N
DG60822	2-Methyl-3-[2-(3-nitrophenyl)-2-oxoethyl]naphthoquinone	1486593	"303997-22-0; 2-methyl-3-[2-(3-nitrophenyl)-2-oxoethyl]naphthoquinone; GNF-Pf-119; 2-methyl-3-[2-(3-nitrophenyl)-2-oxoethyl]-1,4-dihydronaphthalene-1,4-dione; 2-methyl-3-[2-(3-nitrophenyl)-2-oxoethyl]naphthalene-1,4-dione; Oprea1_407238; CHEMBL601156; ZINC1400761; MMV666125; NSC766681; AKOS005079882; MCULE-4947631732; NSC-766681; 12E-934"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766681	.	.	.	.	335.3	C19H13NO5	97	645	2.9	25	0	5	3	"InChI=1S/C19H13NO5/c1-11-16(19(23)15-8-3-2-7-14(15)18(11)22)10-17(21)12-5-4-6-13(9-12)20(24)25/h2-9H,10H2,1H3"	CC1=C(C(=O)C2=CC=CC=C2C1=O)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]	TZGKWYPKVUZODV-UHFFFAOYSA-N
DG60823	"1-benzyl-3-[(3-chlorophenyl)amino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-2,5-dihydro-1H-pyrrole-2,5-dione"	1492226	"ZINC1407881; NSC743223; AKOS001108070; MCULE-3642038793; NSC-743223; AB00742542-01; Z99599134; 1-benzyl-3-(3-chloroanilino)-4-(4,5-dihydro-1H-2,5-pyrroledione; 1-benzyl-3-[(3-chlorophenyl)amino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-2,5-dihydro-1H-pyrrole-2,5-dione; 785843-39-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743223	.	.	.	.	450.9	C23H19ClN4O2S	101	702	5	31	1	6	6	"InChI=1S/C23H19ClN4O2S/c1-14-11-15(2)26-23(25-14)31-20-19(27-18-10-6-9-17(24)12-18)21(29)28(22(20)30)13-16-7-4-3-5-8-16/h3-12,27H,13H2,1-2H3"	CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=CC(=CC=C4)Cl)C	YKGYTRMNIUWAEM-UHFFFAOYSA-N
DG60824	"6-[4-(Methylthio)phenyl]imidazo[2,1-b]thiazole"	1497314	"IFLab1_001965; HMS1417J07; ZINC1414434; NSC740963; STL264583; AKOS002222368; MCULE-8060266771; NSC-740963; 6-[4-(Methylthio)phenyl]imidazo[2,1-b]thiazole; 6-[4-(methylsulfanyl)phenyl]imidazo[2,1-b][1,3]thiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740963	.	.	.	.	246.4	C12H10N2S2	70.8	241	4	16	0	3	2	"InChI=1S/C12H10N2S2/c1-15-10-4-2-9(3-5-10)11-8-14-6-7-16-12(14)13-11/h2-8H,1H3"	CSC1=CC=C(C=C1)C2=CN3C=CSC3=N2	XUPHUUXPEHAWMI-UHFFFAOYSA-N
DG60825	"3-amino-N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide"	1504874	"3-amino-N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide; 313379-74-7; 6-Amino-N-[3-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide; CHEMBL3759387; SCHEMBL14955043; ZINC1424116; NSC778314; STK747512; AKOS001609009; MCULE-5183281804; NSC-778314; EU-0050660; J3.621.535F; SR-01000423372; SR-01000423372-1; N-[3-(Trifluoromethyl)phenyl]-3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	778314	.	.	.	.	405.4	C20H18F3N3OS	96.2	575	5.9	28	2	7	2	"InChI=1S/C20H18F3N3OS/c21-20(22,23)12-6-4-7-13(10-12)25-18(27)17-16(24)14-9-11-5-2-1-3-8-15(11)26-19(14)28-17/h4,6-7,9-10H,1-3,5,8,24H2,(H,25,27)"	C1CCC2=CC3=C(N=C2CC1)SC(=C3N)C(=O)NC4=CC=CC(=C4)C(F)(F)F	DVEDQHNNXVVOSO-UHFFFAOYSA-N
DG60826	5-Bromo-7-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}quinolin-8-ol	1507416	CHEMBL600235; MMV000760; NSC766634; STK684882; ZINC53193561; AKOS002306264; MCULE-7650152375; NSC-766634; SJ000114056; 5-bromo-7-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}quinolin-8-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766634	.	.	.	.	416.3	C20H19BrFN3O	39.6	462	4.1	26	1	5	3	"InChI=1S/C20H19BrFN3O/c21-16-12-14(20(26)19-15(16)4-3-7-23-19)13-24-8-10-25(11-9-24)18-6-2-1-5-17(18)22/h1-7,12,26H,8-11,13H2"	C1CN(CCN1CC2=CC(=C3C=CC=NC3=C2O)Br)C4=CC=CC=C4F	VNMWKWVDDVPSBF-UHFFFAOYSA-N
DG60827	"2,3-dihydrothiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one"	1508416	"2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one; MLS000686624; CHEMBL1715130; HMS2730K11; 2,3-dihydrothiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one; NSC734973; STK778885; AKOS005618879; MCULE-4050553565; NSC-734973; 698984-98-4; SMR000315145; BRD-K06098735-001-01-3; 1,9,10-Tetrahydrothiazolo[2,3:2',3']pyrimido[6,5-b}indol-8-one; 9H-3-Thia-4,9,10a-triazacyclopenta[b]fluoren-10-one, 1,2-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734973	.	.	.	.	243.29	C12H9N3OS	73.8	397	2.1	17	1	3	0	"InChI=1S/C12H9N3OS/c16-11-10-9(14-12-15(11)5-6-17-12)7-3-1-2-4-8(7)13-10/h1-4,13H,5-6H2"	C1CSC2=NC3=C(C(=O)N21)NC4=CC=CC=C43	XYQBMRGFRLJNLH-UHFFFAOYSA-N
DG60828	"3-amino-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	1516711	"3-amino-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; Oprea1_288014; CHEMBL3770535; ZINC1439599; NSC775445; STK771542; AKOS001678482; MCULE-9909027316; NSC-775445; SR-01000111997; SR-01000111997-1; N-(3-Methoxyphenyl)-3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775445	.	.	.	.	353.4	C19H19N3O2S	106	491	4.4	25	2	5	3	"InChI=1S/C19H19N3O2S/c1-24-13-7-4-6-12(10-13)21-18(23)17-16(20)14-9-11-5-2-3-8-15(11)22-19(14)25-17/h4,6-7,9-10H,2-3,5,8,20H2,1H3,(H,21,23)"	COC1=CC=CC(=C1)NC(=O)C2=C(C3=C(S2)N=C4CCCCC4=C3)N	HXVWIBODSFOSOQ-UHFFFAOYSA-N
DG60829	"(Z)-2-Thioxo-5-[(1,3-diphenyl-1H-pyrazole-4-yl)methylene]thiazolidine-4-one"	1526878	"CHEMBL3781274; ZINC1452722; NSC753907; STK701514; AKOS000748864; NSC-753907; 5-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-2-mercaptothiazol-4(5H)-one; (5Z)-5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one; (Z)-2-Thioxo-5-[(1,3-diphenyl-1H-pyrazole-4-yl)methylene]thiazolidine-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753907	.	.	.	.	363.5	C19H13N3OS2	104	553	4.4	25	1	4	3	"InChI=1S/C19H13N3OS2/c23-18-16(25-19(24)20-18)11-14-12-22(15-9-5-2-6-10-15)21-17(14)13-7-3-1-4-8-13/h1-12H,(H,20,23,24)/b16-11-"	C1=CC=C(C=C1)C2=NN(C=C2/C=C\\3/C(=O)NC(=S)S3)C4=CC=CC=C4	OXXLSKYAVUMAON-WJDWOHSUSA-N
DG60830	3-(2-Furyl)acrolein	1549521	"3-(2-Furyl)acrolein; 623-30-3; 2-Furanacrolein; (E)-3-(Furan-2-yl)acrylaldehyde; 3-(Furan-2-yl)acrylaldehyde; 39511-08-5; trans-3-(2-Furyl)acrolein; 2-Propenal, 3-(2-furanyl)-; BETA-2-FURYLACROLEIN; 3-(2-Furyl)acrylaldehyde; NSC 2061; UNII-SSQ86U3DRP; (E)-3-(furan-2-yl)prop-2-enal; NSC 26338; Furyl acrolein; 3-(2-Furanyl)-2-propenal; 3-(2-Furyl)propenal; NSC-2061; EINECS 210-785-3; NSC-26338; SSQ86U3DRP; 3-(.alpha.-Furyl)propenal; (E)-3-(2-Furyl)acrolein; 3-(alpha-Furyl)propenal; MFCD00003256; 3-(2-Furyl)-2-propen-1-al; .beta.-2-Furylacrolein; 2-Furyl acrolein; FEMA No. 2494; beta-2-Furanacrolein; CCRIS 3776; Furyl acrolein, 2-; 3-(2-Furyl)-2-propenal; trans-beta-2-Furylacrolein; BRN 0107570; (2E)-3-(2-furyl)acrylaldehyde; AI3-00703; (2E)-3-(furan-2-yl)prop-2-enal; 3-(2-Furyl)acrolien [FHFI]; (2E)-3-(2-Furanyl)-2-propenal; 2-Propenal, 3-(2-furanyl)-, (E)-; 2-Propenal, 3-(2-furanyl)-, (2E)-; 3-(2-Furyl)acrylaldehyd; .beta.-(2-Furyl)acrolein; (e)-3-(2-furyl)propenal; DSSTox_CID_29151; DSSTox_RID_83370; DSSTox_GSID_49295; 5-17-09-00570 (Beilstein Handbook Reference); SCHEMBL560499; SCHEMBL560500; (2E)-3-(2-furyl)acrolein; 3-(furan-2-yl)prop-2-enal; CHEMBL1994615; DTXSID9049295; NSC2061; CHEBI:173468; (E)-3-(uran-2-yl)prop-2-enal; NSC26338; ZINC1577145; Tox21_202896; trans-3-(2-Furyl)acrolein, 97%; (E)-3-(furan-2-yl)-acrylaldehyde; 5172AB; STK397886; AKOS000268562; 3-(2-Furyl)acrolein, >=99%, FG; NCGC00260442-01; AS-15961; LS-13265; R559; CAS-39511-08-5; F0181; O10885; J-640075; J-800077; Q27289372; F0401-0096"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2061	.	.	.	.	122.12	C7H6O2	30.2	118	1.1	9	0	2	2	InChI=1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-6H/b3-1+	C1=COC(=C1)/C=C/C=O	VZIRCHXYMBFNFD-HNQUOIGGSA-N
DG60831	(Z)-4-(4-Nitrobenzylidene)-2-phenyloxazol-5(4H)-one	1549990	"(Z)-4-(4-Nitrobenzylidene)-2-phenyloxazol-5(4H)-one; 57427-80-2; 7152-75-2; (4Z)-4-[(4-nitrophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one; 5(4H)-Oxazolone, 4-[(4-nitrophenyl)methylene]-2-phenyl-; NSC24189; 4-(4-Nitrobenzylidene)-2-phenyloxazol-5(4H)-one; 4-(4-Nitrobenzylidene)-2-phenyl-4,5-dihydro-1,3-oxazol-5-one; CHEMBL1981462; ZINC4644706; 8455AB; NSC-24189; AKOS001612248; A917681; (4z)-4-(4-nitrobenzylidene)-2-phenyloxazol-5(4h)-one; 2-Phenyl-4-[(Z)-4-nitrobenzylidene]oxazole-5(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24189	.	.	.	.	294.26	C16H10N2O4	84.5	507	3.4	22	0	5	2	InChI=1S/C16H10N2O4/c19-16-14(10-11-6-8-13(9-7-11)18(20)21)17-15(22-16)12-4-2-1-3-5-12/h1-10H/b14-10-	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)O2	QRDLKEDMXPGLTP-UVTDQMKNSA-N
DG60832	Cyqualon	1550234	"Cyclovalone; Cyqualon; Curcumoid; Cycvalon; Divanil; Divanon; Flavugal; Tsikvalon; VANILONE; 579-23-7; Divanillalcyclohexanone; CHEMBL17205; 2,6-Divanillylidenecyclohexanone; (2E,6E)-2,6-bis(4-hydroxy-3-methoxybenzylidene)cyclohexanone; 2,6-Divanillidenecyclohexanone; 2,6-Bis(4-hydroxy-3-methoxybenzylidene)cyclohexanone; SMR000554641; DVC; NSC-26727; NCGC00164486-01; MLS000881144; MLS000881192; MLS001194951; SCHEMBL554417; Cyclohexanone,6-vanillylidene-; Cyclohexanone,6-divanillylidene-; cid_1550234; HMS642D03; CHEBI:135543; GT-18; HMS2865P11; NSC26727; ZINC4468855; BDBM50067033; NSC652893; AKOS001571214; NSC-652893; NCGC00164486-02; NCGC00164486-03; WLN: L6YVYTJ AU1R DQ CO1& CU1R DQ CO1; 2,6-Bis-(4-hydroxy-3-methoxy-benzylidene)-cyclohexanone; 2,6-Bis[(E)-3-methoxy-4-hydroxybenzylidene]cyclohexanone; Cyclohexanone,6-bis[(4-hydroxy-3-methoxyphenyl)methylene]-; 2,6-bis((3-methoxy-4-hydroxyphenyl)methylene)-cyclohexanone; 2,6-Bis((4-hydroxy-3-methoxyphenyl)methylene)cyclohexan-1-one; (2E,6E)-2,6-bis[(4-hydroxy-3-methoxy-phenyl)methylene]cyclohexanone; 2,6-Bis-[1-(4-hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene]-cyclohexanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652893	.	.	.	.	366.4	C22H22O5	76	533	4.3	27	2	5	4	"InChI=1S/C22H22O5/c1-26-20-12-14(6-8-18(20)23)10-16-4-3-5-17(22(16)25)11-15-7-9-19(24)21(13-15)27-2/h6-13,23-24H,3-5H2,1-2H3/b16-10+,17-11+"	COC1=C(C=CC(=C1)/C=C\\2/C(=O)/C(=C/C3=CC(=C(C=C3)O)OC)/CCC2)O	DHKKONBXGAAFTB-OTYYAQKOSA-N
DG60833	"1-[(3Z)-4-chloro-2,4-dinitro-1-piperidin-1-ylbuta-1,3-dienyl]piperidine"	1550318	"NSC665093; 1-[(3Z)-4-chloro-2,4-dinitro-1-piperidin-1-ylbuta-1,3-dienyl]piperidine; MLS000724309; CHEMBL1534185; HMS2637J03; ZINC1640430; NSC-665093; SMR000305903; SR-01000083124; SR-01000083124-1; 1-[(3Z)-4-chloro-2,4-dinitro-1-(1-piperidyl)buta-1,3-dienyl]piperidine; Piperidine, 1,1'-[(3Z)-4-chloro-2,4-dinitro-1,3-butadienylidene]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665093	.	.	.	.	344.79	C14H21ClN4O4	98.1	492	3.6	23	0	6	3	"InChI=1S/C14H21ClN4O4/c15-13(19(22)23)11-12(18(20)21)14(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h11H,1-10H2/b13-11+"	C1CCN(CC1)C(=C(/C=C(/[N+](=O)[O-])\\Cl)[N+](=O)[O-])N2CCCCC2	MWUMIOZSZRFLPF-ACCUITESSA-N
DG60834	"1-(1-(Benzylthio)-3,4,4-trichloro-2-(hydroxy(oxido)amino)-1,3-butadienyl)piperidine"	1550320	"NSC665098; CHEMBL1985751; ZINC13563563; AKOS000605017; NSC-665098; 1-(1-(Benzylthio)-3,4,4-trichloro-2-(hydroxy(oxido)amino)-1,3-butadienyl)piperidine; 1-[(1Z)-1-benzylsulfanyl-3,4,4-trichloro-2-nitro-buta-1,3-dienyl]piperidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665098	.	.	.	.	407.7	C16H17Cl3N2O2S	74.4	504	5.8	24	0	4	5	"InChI=1S/C16H17Cl3N2O2S/c17-13(15(18)19)14(21(22)23)16(20-9-5-2-6-10-20)24-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2/b16-14-"	C1CCN(CC1)/C(=C(\\C(=C(Cl)Cl)Cl)/[N+](=O)[O-])/SCC2=CC=CC=C2	JMPXJKIBJJUVFW-PEZBUJJGSA-N
DG60835	"[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]sulfanylbenzene"	1550321	"NSC665104; CHEMBL1999467; ZINC1640446; NSC-665104; [(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]sulfanylbenzene; Hydroxy(1,3,4,4-tetrachloro-2-(phenylthio)-1,3-butadienyl)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665104	.	.	.	.	345	C10H5Cl4NO2S	71.1	382	5.6	18	0	3	3	InChI=1S/C10H5Cl4NO2S/c11-7(9(12)13)8(10(14)15(16)17)18-6-4-2-1-3-5-6/h1-5H/b10-8-	C1=CC=C(C=C1)S/C(=C(\\[N+](=O)[O-])/Cl)/C(=C(Cl)Cl)Cl	OGKBNGLIROMCEK-NTMALXAHSA-N
DG60836	"2,6-Bis(benzylidene)cyclohexanone"	1550329	"2,6-Bis(benzylidene)cyclohexanone; Cyclohexanone, 2,6-bis(phenylmethylene)-; MLS002701880; NSC2384; 897-78-9; CHEMBL1905730; 2, 6-Bisbenzylidenecyclohexanone; ZINC1031369; Cyclohexanone, 2, 6-dibenzylidene-; (2Z,6Z)-2,6-dibenzylidenecyclohexanone; SMR001565470"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2384	.	.	.	.	274.4	C20H18O	17.1	379	5.1	21	0	1	2	"InChI=1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/b18-14-,19-15-"	C1C/C(=C/C2=CC=CC=C2)/C(=O)/C(=C\\C3=CC=CC=C3)/C1	CTKKGXDAWIAYSA-DJTQBEGKSA-N
DG60837	"2,6-Dibenzylidenecyclohexanone"	1550330	"2,6-Dibenzylidenecyclohexanone; 897-78-9; Cyclohexanone, 2,6-dibenzylidene-; CHEMBL274993; 2,6-Bis(benzylidene)cyclohexanone; 1,3-Dibenzylidene-2-cyclohexanone; (2E,6E)-2,6-bis(phenylmethylidene)cyclohexan-1-one; 42052-61-9; (2E,6E)-2,6-Dibenzylidenecyclohexanone; Cyclohexanone, 2,6-bis(phenylmethylene)-; Cyclohexanone,6-dibenzylidene-; 2,6-Bisbenzylidenecyclohexanone; 2,6-Dibenzylidenecyclohexan-1-one; Cyclohexanone,6-bis(phenylmethylene)-; MLS002701880; NSC2384; 1,3-Dibenzal-2-cyclohexanone; 2,6-dibenzylidene-cyclohexanone; SCHEMBL12948726; HMS559I22; NSC-2384; NSC40618; ZINC4582835; 2,6-Bis-(benzylidene)-cyclohexanone; BDBM50240380; CCG-52176; MFCD00019516; NSC-40618; 2,6-Di(benzylidene)cyclohexan-1-one; AKOS001018314; 2,6-Di[(E)-benzylidene]cyclohexanone; 2,6-di((E)-benzylidene)cyclohexan-1-one; (2E,6E)-2,6-Dibenzylidenecyclohexanone #; 2,6-bis[(E)-phenylmethylidene]cyclohexanone; CS-0161507; D1194; (2E,6E)-2,6-dibenzylidene-cyclohexan-1-one; 1R-0613; 2,6-Bis-[1-phenyl-meth-(E)-ylidene]-cyclohexanone; SR-01000641425-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	40618	.	.	.	.	274.4	C20H18O	17.1	379	5.1	21	0	1	2	"InChI=1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/b18-14+,19-15+"	C1C/C(=C\\C2=CC=CC=C2)/C(=O)/C(=C/C3=CC=CC=C3)/C1	CTKKGXDAWIAYSA-JSAVKQRWSA-N
DG60838	"1-Phenyl-2-thioxoimidazolidine-4,5-dione"	1550384	"NSC671382; 1-phenyl-2-thioxoimidazolidine-4,5-dione; Kinome_3132; CHEMBL1986391; ZINC6575377; MCULE-4308169253; NSC-671382; NCI60_025234; 1-Phenyl-2-thioxo-4,5-imidazolidinedione; 1-phenyl-2-thioxo-imidazolidine-4,5-dione; AK-105/40837311"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671382	.	.	.	.	206.22	C9H6N2O2S	81.5	297	1.2	14	1	3	1	"InChI=1S/C9H6N2O2S/c12-7-8(13)11(9(14)10-7)6-4-2-1-3-5-6/h1-5H,(H,10,12,14)"	C1=CC=C(C=C1)N2C(=O)C(=O)NC2=S	URRIADZIXILTHY-UHFFFAOYSA-N
DG60839	(2E)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-phenylfuran-3-one	1550412	NSC674920; CHEMBL1994333; NSC-674920	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674920	.	.	.	.	310.7	C18H11ClO3	43.4	506	3.9	22	0	3	3	InChI=1S/C18H11ClO3/c19-14-8-6-12(7-9-14)15(20)10-18-16(21)11-17(22-18)13-4-2-1-3-5-13/h1-11H/b18-10+	C1=CC=C(C=C1)C2=CC(=O)/C(=C\\C(=O)C3=CC=C(C=C3)Cl)/O2	JEHNULRDVZQRHG-VCHYOVAHSA-N
DG60840	(2Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-phenylfuran-3-one	1550413	CHEMBL1988925; NSC674916; NSC-674916	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674916	.	.	.	.	310.7	C18H11ClO3	43.4	506	3.9	22	0	3	3	InChI=1S/C18H11ClO3/c19-14-8-6-12(7-9-14)15(20)10-18-16(21)11-17(22-18)13-4-2-1-3-5-13/h1-11H/b18-10-	C1=CC=C(C=C1)C2=CC(=O)/C(=C/C(=O)C3=CC=C(C=C3)Cl)/O2	JEHNULRDVZQRHG-ZDLGFXPLSA-N
DG60841	"(1Z)-3,4,4-trichloro-N,N-diethyl-2-nitro-1-phenylsulfanylbuta-1,3-dien-1-amine"	1550445	"NSC678030; MLS000709246; SMR000289913; CHEMBL1575727; BDBM73651; cid_1550445; HMS2602K15; ZINC1647107; AKOS000669186; NSC-678030; (1Z)-3,4,4-trichloro-N,N-diethyl-2-nitro-1-phenylsulfanylbuta-1,3-dien-1-amine; (1Z)-3,4,4-trichloro-N,N-diethyl-2-nitro-1-(phenylthio)-1-buta-1,3-dienamine; (1Z)-3,4,4-trichloro-N,N-diethyl-2-nitro-1-phenylsulfanyl-buta-1,3-dien-1-amine; (1Z)-3,4,4-tris(chloranyl)-N,N-diethyl-2-nitro-1-phenylsulfanyl-buta-1,3-dien-1-amine; diethyl-[(1Z)-3,4,4-trichloro-2-nitro-1-(phenylthio)buta-1,3-dienyl]amine; Hydroxy(2,3,3-trichloro-1-((diethylamino)(phenylthio)methylene)-2-propenyl)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678030	.	.	.	.	381.7	C14H15Cl3N2O2S	74.4	450	5.8	22	0	4	6	"InChI=1S/C14H15Cl3N2O2S/c1-3-18(4-2)14(22-10-8-6-5-7-9-10)12(19(20)21)11(15)13(16)17/h5-9H,3-4H2,1-2H3/b14-12-"	CCN(CC)/C(=C(\\C(=C(Cl)Cl)Cl)/[N+](=O)[O-])/SC1=CC=CC=C1	BSSHFVDKNXCJFP-OWBHPGMISA-N
DG60842	"3-benzyl-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one"	1550629	"NSC715722; CHEMBL1977701; ZINC4312739; STK559095; AKOS005484932; AKOS030517736; MCULE-5434734298; NSC-715722; NCI60_039990; 3-benzyl-6-iodo-2-mercaptoquinazolin-4(3H)-one; 3-benzyl-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one; 19857-32-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715722	.	.	.	.	394.2	C15H11IN2OS	64.4	397	3.4	20	1	2	2	"InChI=1S/C15H11IN2OS/c16-11-6-7-13-12(8-11)14(19)18(15(20)17-13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,20)"	C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)NC2=S	NNCAHROHJUVHBU-UHFFFAOYSA-N
DG60843	"1,5-dimethyl-2-phenyl-4-{[(1E,2E)-3-phenylprop-2-en-1-ylidene]amino}-1,2-dihydro-3H-pyrazol-3-one"	1550644	"1,5-dimethyl-2-phenyl-4-{[(1E,2E)-3-phenylprop-2-en-1-ylidene]amino}-1,2-dihydro-3H-pyrazol-3-one; NSC717365; MLS000106153; CHEMBL1967609; REGID_for_CID_1550644; HMS1608C15; HMS2443E08; ZINC1661633; STL253119; AKOS000639343; NSC-717365; SMR000103123; 1-Phenyl-2,3-dimethyl-4-(cinnamylideneamino)-3-pyrazoline-5-one; 1,5-Dimethyl-2-phenyl-4-[(E,E)-3-phenylprop-2-enylideneamino]- 1H-pyrazol-3(2H)-one; 1,5-Dimethyl-4-(3-phenyl-2-propene-1-ylideneamino)-2-phenyl-1H-pyrazole-3(2H)-one; 1,5-dimethyl-2-phenyl-4-{[(E,2E)-3-phenyl-2-propenylidene]amino}-1,2-dihydro-3H-pyrazol-3-one; 851308-53-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717365	.	.	.	.	317.4	C20H19N3O	35.9	537	2.5	24	0	3	4	"InChI=1S/C20H19N3O/c1-16-19(21-15-9-12-17-10-5-3-6-11-17)20(24)23(22(16)2)18-13-7-4-8-14-18/h3-15H,1-2H3/b12-9+,21-15 "	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C/C=C/C3=CC=CC=C3	CUIJFGBJFDLIGS-XXNYPEFKSA-N
DG60844	"(E)-3-phenyl-2-propenal 1-(5-allyl-2,6-dimethyl-4-pyrimidinyl)hydrazone"	1550654	"NSC717487; CHEMBL1993433; STK755898; AKOS001717319; MCULE-4228748447; NSC-717487; SR-01000117749; SR-01000117749-1; (E)-3-phenyl-2-propenal 1-(5-allyl-2,6-dimethyl-4-pyrimidinyl)hydrazone; 2,4-dimethyl-6-{(2E)-2-[(2E)-3-phenylprop-2-en-1-ylidene]hydrazinyl}-5-(prop-2-en-1-yl)pyrimidine; 98189-74-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717487	.	.	.	.	292.4	C18H20N4	50.2	385	4.4	22	1	4	6	"InChI=1S/C18H20N4/c1-4-9-17-14(2)20-15(3)21-18(17)22-19-13-8-12-16-10-6-5-7-11-16/h4-8,10-13H,1,9H2,2-3H3,(H,20,21,22)/b12-8+,19-13+"	CC1=C(C(=NC(=N1)C)N/N=C/C=C/C2=CC=CC=C2)CC=C	NQKHCTAIYDIWJU-FWBOJEOFSA-N
DG60845	Tenylidone	1550999	"Tenylidone; UNII-75C83N4YJ7; 75C83N4YJ7; 2,6-Bis(2-thenylidene)cyclohexanone; NSC-54902; NSC-760134; 893-01-6; Tenilidona; Tenylidonum; MLS000881212; Tenylidone [INN:DCF]; SMR000685796; Tenylidonum [INN-Latin]; Tenilidona [INN-Spanish]; Margeryl; Tenylidon; Vanitile; EINECS 212-969-9; 2,6-Dithenylidenecyclohexanone; CHEMBL476632; SCHEMBL1816974; BDBM58778; HMS551A01; cid_16237582; HMS3264C07; Pharmakon1600-01506108; 2,6-Di-2-thenylidenecyclohexanone; Cyclohexanone,6-di-2-thenylidene-; NSC54902; ZINC4481936; Tox21 111929; CCG-44615; NSC 54902; NSC760134; MCULE-4357002382; NSC 760134; Cyclohexanone,6-bis(2-thienylmethylene)-; 2,6-bis(thiophen-2-ylmethylidene)cyclohexanone; 2,6-Bis[(alphaE)-2-thenylidene]cyclohexanone; AB00871268_07; SR-01000518338; SR-01000518338-1; SR-01000518338-2; Q27266373; 2,6-bis[(E)-1-(2-thienyl)methylidene]-1-cyclohexanone; (2E,6E)-2,6-bis(2-thenylidene)cyclohexanone;sulfuric acid; (2E,6E)-2,6-bis(thiophen-2-ylmethylene)cyclohexan-1-one; (2E,6E)-2,6-bis(thiophen-2-ylmethylidene)-1-cyclohexanone;sulfuric acid; (2E,6E)-2,6-bis(thiophen-2-ylmethylidene)cyclohexan-1-one;sulfuric acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54902	.	.	.	.	286.4	C16H14OS2	73.6	375	4.5	19	0	3	2	"InChI=1S/C16H14OS2/c17-16-12(10-14-6-2-8-18-14)4-1-5-13(16)11-15-7-3-9-19-15/h2-3,6-11H,1,4-5H2/b12-10+,13-11+"	C1C/C(=C\\C2=CC=CS2)/C(=O)/C(=C/C3=CC=CS3)/C1	KHXBULXCCPIELT-DCIPZJNNSA-N
DG60846	1-methyl-3-[(Z)-2-nitroethenyl]indole	1551121	2731-00-2; NSC106246; 1-methyl-3-[(Z)-2-nitroethenyl]indole; ZINC4822811; NSC-106246	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106246	.	.	.	.	202.21	C11H10N2O2	50.8	272	2.3	15	0	2	1	"InChI=1S/C11H10N2O2/c1-12-8-9(6-7-13(14)15)10-4-2-3-5-11(10)12/h2-8H,1H3/b7-6-"	CN1C=C(C2=CC=CC=C21)/C=C\\[N+](=O)[O-]	RZJUMQWTXIXIMY-SREVYHEPSA-N
DG60847	2-Phenyl-4-(3-pyridylmethylene)oxazole-5(4H)-one	1551558	"CHEMBL579387; (4Z)-2-phenyl-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5(4H)-one; 5086-43-1; NSC177881; ZINC5011558; BDBM50314663; STL553706; AKOS001259145; NSC-177881; 2-Phenyl-4-(3-pyridylmethylene)oxazole-5(4H)-one; 2-phenyl-4-(pyridin-3-ylmethylene)oxazol-5(4H)-one; (4Z)-2-phenyl-4-(pyridin-3-yl-methylene)-oxazol-5-one; 102913-29-1; 2-phenyl-4-(pyridin-3-ylmethylene)oxazol-5(4H)-one(Z)-2-phenyl-4-(pyridin-3-ylmethylene)oxazol-5(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	177881	.	.	.	.	250.25	C15H10N2O2	51.6	408	2.5	19	0	4	2	InChI=1S/C15H10N2O2/c18-15-13(9-11-5-4-8-16-10-11)17-14(19-15)12-6-2-1-3-7-12/h1-10H/b13-9-	C1=CC=C(C=C1)C2=N/C(=C\\C3=CN=CC=C3)/C(=O)O2	VLVHAYVBYFGEEF-LCYFTJDESA-N
DG60848	"1-Benzyl-3-chloro-4-(3-chloroanilino)-2,5-pyr roledione"	1554887	"ZINC1747653; NSC727759; AKOS002275675; MCULE-9812917090; NSC-727759; 1-benzyl-3-chloro-4-(3-chloroanilino)-2,5-pyr roledione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727759	.	.	.	.	347.2	C17H12Cl2N2O2	49.4	515	4.2	23	1	3	4	"InChI=1S/C17H12Cl2N2O2/c18-12-7-4-8-13(9-12)20-15-14(19)16(22)21(17(15)23)10-11-5-2-1-3-6-11/h1-9,20H,10H2"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)Cl	FEOZSGRUFQDKPM-UHFFFAOYSA-N
DG60849	"N,N-bis(2-methoxyethyl)-2-phenylquinazolin-4-amine"	1564647	"ChemDiv1_009525; Neuro1_000389; MLS001210706; N,N-bis(2-methoxyethyl)-2-phenylquinazolin-4-amine; SCHEMBL1084103; Bis-(2-methoxy-ethyl)-(2-phenyl-quinazolin-4-yl)-amine; CHEMBL1569943; HMS614A21; HMS2837J14; ZINC1773079; NSC727966; STK969337; AKOS000539638; MCULE-3291637783; NSC-727966; SMR000518520; EU-0077610; SR-01000488225; SR-01000488225-1; 384797-59-5; N4,N4-di(2-methoxyethyl)-2-phenyl-4-quinazolinamine di(2-methoxyethyl)(2-phenyl-4-quinazolinyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727966	.	.	.	.	337.4	C20H23N3O2	47.5	368	3.7	25	0	5	8	"InChI=1S/C20H23N3O2/c1-24-14-12-23(13-15-25-2)20-17-10-6-7-11-18(17)21-19(22-20)16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3"	COCCN(CCOC)C1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3	GKJOALAKKFHGPH-UHFFFAOYSA-N
DG60850	"1-Benzyl-3-chloro-4-(5-chloro-2-hydroxyanilino)-2,5-pyrroledione"	1567787	"ZINC1776962; MFCD02962905; NSC727760; AKOS002304549; MCULE-2317481736; NSC-727760; 1-benzyl-3-chloro-4-(5-chloro-2-hydroxyanilino)-2,5-pyrroledione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727760	.	.	.	.	363.2	C17H12Cl2N2O3	69.6	546	3.8	24	2	4	4	"InChI=1S/C17H12Cl2N2O3/c18-11-6-7-13(22)12(8-11)20-15-14(19)16(23)21(17(15)24)9-10-4-2-1-3-5-10/h1-8,20,22H,9H2"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=C(C=CC(=C3)Cl)O	POBKRERSOBCUHZ-UHFFFAOYSA-N
DG60851	"1-Benzyl-3-chloro-4-(3-chloro-4-methylanilino)-2,5-pyrroledione"	1570148	"ZINC1779584; NSC727756; AKOS002263800; MCULE-3784971058; NSC-727756; 1-benzyl-3-chloro-4-(3-chloro-4-methylanilino)-2,5-pyrroledione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727756	.	.	.	.	361.2	C18H14Cl2N2O2	49.4	543	4.6	24	1	3	4	"InChI=1S/C18H14Cl2N2O2/c1-11-7-8-13(9-14(11)19)21-16-15(20)17(23)22(18(16)24)10-12-5-3-2-4-6-12/h2-9,21H,10H2,1H3"	CC1=C(C=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl)Cl	RBFSDTWKOUOAPS-UHFFFAOYSA-N
DG60852	"1-Benzyl-3-chloro-4-(3-chloro-2-methylanilino)-2,5-pyrroledione"	1570150	"ZINC1779586; NSC727885; AKOS002263801; MCULE-3772783351; NSC-727885; 1-benzyl-3-chloro-4-(3-chloro-2-methylanilino)-2,5-pyrroledione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727885	.	.	.	.	361.2	C18H14Cl2N2O2	49.4	543	4.6	24	1	3	4	"InChI=1S/C18H14Cl2N2O2/c1-11-13(19)8-5-9-14(11)21-16-15(20)17(23)22(18(16)24)10-12-6-3-2-4-7-12/h2-9,21H,10H2,1H3"	CC1=C(C=CC=C1Cl)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl	VIVXMKANCIBFSL-UHFFFAOYSA-N
DG60853	"1-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2,3-dichlorobenzene"	1574647	"ZINC1785775; NSC728128; AKOS002351262; MCULE-4296544921; NSC-728128; 1-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2,3-dichlorobenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728128	.	.	.	.	500.8	C24H16Cl3N3O3	78.5	799	5.7	33	2	4	6	"InChI=1S/C24H16Cl3N3O3/c25-17-10-5-11-18(19(17)26)29-22(31)15-8-4-9-16(12-15)28-21-20(27)23(32)30(24(21)33)13-14-6-2-1-3-7-14/h1-12,28H,13H2,(H,29,31)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=C(C(=CC=C4)Cl)Cl	YXDDSPYNLNAMFK-UHFFFAOYSA-N
DG60854	"1-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-3,5-dichlorobenzene"	1574650	"ZINC1785779; NSC727959; AKOS002351263; MCULE-9100194795; NSC-727959; 1-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-3,5-dichlorobenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727959	.	.	.	.	500.8	C24H16Cl3N3O3	78.5	789	5.7	33	2	4	6	"InChI=1S/C24H16Cl3N3O3/c25-16-10-17(26)12-19(11-16)29-22(31)15-7-4-8-18(9-15)28-21-20(27)23(32)30(24(21)33)13-14-5-2-1-3-6-14/h1-12,28H,13H2,(H,29,31)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC(=C4)Cl)Cl	UOAUSALLDVLDEH-UHFFFAOYSA-N
DG60855	"1-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2-chloro-5-trifluoromethylbenzene"	1574661	"ZINC1785793; NSC732851; AKOS001107510; MCULE-8344245026; NSC-732851; 1-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2-chloro-5-trifluoromethylbenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732851	.	.	.	.	534.3	C25H16Cl2F3N3O3	78.5	892	5.9	36	2	7	6	"InChI=1S/C25H16Cl2F3N3O3/c26-18-10-9-16(25(28,29)30)12-19(18)32-22(34)15-7-4-8-17(11-15)31-21-20(27)23(35)33(24(21)36)13-14-5-2-1-3-6-14/h1-12,31H,13H2,(H,32,34)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl	UMRBOETVQYMYHN-UHFFFAOYSA-N
DG60856	"1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-3,4-dichlorobenzene"	1574702	"ZINC1785847; NSC728132; AKOS002258012; MCULE-7210281401; NSC-728132; 1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-3,4-dichlorobenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728132	.	.	.	.	500.8	C24H16Cl3N3O3	78.5	791	5.7	33	2	4	6	"InChI=1S/C24H16Cl3N3O3/c25-18-11-10-17(12-19(18)26)29-22(31)15-6-8-16(9-7-15)28-21-20(27)23(32)30(24(21)33)13-14-4-2-1-3-5-14/h1-12,28H,13H2,(H,29,31)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)Cl)Cl	XBZHFHVINBOCFQ-UHFFFAOYSA-N
DG60857	"1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2,4-dichlorobenzene"	1574705	"ZINC1785852; NSC732829; AKOS002258039; MCULE-7632618470; NSC-732829; 1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2,4-dichlorobenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732829	.	.	.	.	500.8	C24H16Cl3N3O3	78.5	791	5.7	33	2	4	6	"InChI=1S/C24H16Cl3N3O3/c25-16-8-11-19(18(26)12-16)29-22(31)15-6-9-17(10-7-15)28-21-20(27)23(32)30(24(21)33)13-14-4-2-1-3-5-14/h1-12,28H,13H2,(H,29,31)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Cl)Cl	DMASKWVZMCHKTL-UHFFFAOYSA-N
DG60858	"1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-3,5-dichlorobenzene"	1574706	"ZINC1785854; NSC728133; AKOS002351282; MCULE-2282771228; NSC-728133; 1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-3,5-dichlorobenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728133	.	.	.	.	500.8	C24H16Cl3N3O3	78.5	781	5.7	33	2	4	6	"InChI=1S/C24H16Cl3N3O3/c25-16-10-17(26)12-19(11-16)29-22(31)15-6-8-18(9-7-15)28-21-20(27)23(32)30(24(21)33)13-14-4-2-1-3-5-14/h1-12,28H,13H2,(H,29,31)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC(=CC(=C4)Cl)Cl	SQSSBTOBLHLPPP-UHFFFAOYSA-N
DG60859	"1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2-chloro-5-trifluoromethylbenzene"	1574715	"ZINC1785865; NSC732833; AKOS002351201; MCULE-9515262778; NSC-732833; 1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2-chloro-5-trifluoromethylbenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732833	.	.	.	.	534.3	C25H16Cl2F3N3O3	78.5	884	5.9	36	2	7	6	"InChI=1S/C25H16Cl2F3N3O3/c26-18-11-8-16(25(28,29)30)12-19(18)32-22(34)15-6-9-17(10-7-15)31-21-20(27)23(35)33(24(21)36)13-14-4-2-1-3-5-14/h1-12,31H,13H2,(H,32,34)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl	UAMJMYGQNJFEGY-UHFFFAOYSA-N
DG60860	"4-((1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-(trifluoromethyl)phenyl)benzamide"	1574727	"ZINC1785882; NSC732836; AKOS002243613; MCULE-7429443239; NSC-732836; F3284-5261; 1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2-trifluoromethylbenzene; 4-((1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2-(trifluoromethyl)phenyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732836	.	.	.	.	499.9	C25H17ClF3N3O3	78.5	849	5.3	35	2	7	6	"InChI=1S/C25H17ClF3N3O3/c26-20-21(24(35)32(23(20)34)14-15-6-2-1-3-7-15)30-17-12-10-16(11-13-17)22(33)31-19-9-5-4-8-18(19)25(27,28)29/h1-13,30H,14H2,(H,31,33)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C(F)(F)F	HFSLEZKMBPGXCB-UHFFFAOYSA-N
DG60861	"1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-4-chloro-3-trifluoromethylbenzene"	1574730	"ZINC1785886; NSC732837; AKOS002243704; MCULE-7272901055; NSC-732837; 1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-4-chloro-3-trifluoromethylbenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732837	.	.	.	.	534.3	C25H16Cl2F3N3O3	78.5	884	5.9	36	2	7	6	"InChI=1S/C25H16Cl2F3N3O3/c26-19-11-10-17(12-18(19)25(28,29)30)32-22(34)15-6-8-16(9-7-15)31-21-20(27)23(35)33(24(21)36)13-14-4-2-1-3-5-14/h1-12,31H,13H2,(H,32,34)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F	NMFCWXSFOXVZFK-UHFFFAOYSA-N
DG60862	"1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamidomethyl]-2,4-dichlorobenzene"	1574733	"ZINC1785888; NSC732838; AKOS002243754; MCULE-8344812407; NSC-732838; 1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamidomethyl]-2,4-dichlorobenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732838	.	.	.	.	514.799	C25H18Cl3N3O3	78.5	807	5.6	34	2	4	7	"InChI=1S/C25H18Cl3N3O3/c26-18-9-6-17(20(27)12-18)13-29-23(32)16-7-10-19(11-8-16)30-22-21(28)24(33)31(25(22)34)14-15-4-2-1-3-5-15/h1-12,30H,13-14H2,(H,29,32)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NCC4=C(C=C(C=C4)Cl)Cl	QDMFSRNQTUPLPD-UHFFFAOYSA-N
DG60863	"3-Chloro-1-(4-chlorobenzyl)-4-(3-toluidino)-2,5-pyrroledione"	1574961	"ZINC1786145; NSC727969; AKOS002244217; MCULE-6619198983; NSC-727969; 3-chloro-1-(4-chlorobenzyl)-4-(3-toluidino)-2,5-pyrroledione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727969	.	.	.	.	361.2	C18H14Cl2N2O2	49.4	541	4.6	24	1	3	4	"InChI=1S/C18H14Cl2N2O2/c1-11-3-2-4-14(9-11)21-16-15(20)17(23)22(18(16)24)10-12-5-7-13(19)8-6-12/h2-9,21H,10H2,1H3"	CC1=CC(=CC=C1)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)Cl	SCOJJIMUYNJXKF-UHFFFAOYSA-N
DG60864	"3-Chloro-1-(4-chlorobenzyl)-4-(3-trifluoromethylanilino)-2,5-pyrroledione"	1574997	"ZINC1786185; NSC727972; AKOS001289853; MCULE-1588807080; NSC-727972; Z223639748; 3-chloro-1-(4-chlorobenzyl)-4-(3-trifluoromethylanilino)-2,5-pyrroledione; 3-chloro-1-(4-chlorobenzyl)-4-((3-(trifluoromethyl)phenyl)amino)-1h-pyrrole-2,5-dione; 3-chloro-1-[(4-chlorophenyl)methyl]-4-{[3-(trifluoromethyl)phenyl]amino}-2,5-dihydro-1H-pyrrole-2,5-dione; 691371-88-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727972	.	.	.	.	415.2	C18H11Cl2F3N2O2	49.4	631	5.1	27	1	6	4	"InChI=1S/C18H11Cl2F3N2O2/c19-12-6-4-10(5-7-12)9-25-16(26)14(20)15(17(25)27)24-13-3-1-2-11(8-13)18(21,22)23/h1-8,24H,9H2"	C1=CC(=CC(=C1)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)Cl)C(F)(F)F	JRLXLGYNQYCXPS-UHFFFAOYSA-N
DG60865	"3-Chloro-1-(4-chlorobenzyl)-4-(3-hydroxyanilino)-2,5-pyrroledione"	1575025	"ZINC1786218; MFCD03847976; NSC727973; AKOS001289973; MCULE-1263663129; NSC-727973; 3-chloro-1-(4-chlorobenzyl)-4-(3-hydroxyanilino)-2,5-pyrroledione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727973	.	.	.	.	363.2	C17H12Cl2N2O3	69.6	544	3.8	24	2	4	4	"InChI=1S/C17H12Cl2N2O3/c18-11-6-4-10(5-7-11)9-21-16(23)14(19)15(17(21)24)20-12-2-1-3-13(22)8-12/h1-8,20,22H,9H2"	C1=CC(=CC(=C1)O)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)Cl	BTNZSQPLPOQPBR-UHFFFAOYSA-N
DG60866	"3-Chloro-1-(4-chlorobenzyl)-4-(3-hydroxy-4-methylanilino)-2,5-pyrroledione"	1575028	"ZINC1786220; MFCD03847977; NSC727974; AKOS002243939; MCULE-6634652681; NSC-727974; 3-chloro-1-(4-chlorobenzyl)-4-(3-hydroxy-4-methylanilino)-2,5-pyrroledione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727974	.	.	.	.	377.2	C18H14Cl2N2O3	69.6	573	4.2	25	2	4	4	"InChI=1S/C18H14Cl2N2O3/c1-10-2-7-13(8-14(10)23)21-16-15(20)17(24)22(18(16)25)9-11-3-5-12(19)6-4-11/h2-8,21,23H,9H2,1H3"	CC1=C(C=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)Cl)O	ZOPSQVLOVVVWKJ-UHFFFAOYSA-N
DG60867	"N,N'-bis(4-bromophenyl)quinoxaline-2,3-diamine"	1579827	"TCMDC-125776; GNF-Pf-2233; CHEMBL537778; SCHEMBL18153429; ZINC1791925; MMV007224; NSC766723; STL417560; AKOS000442565; MCULE-6343742686; MMV-007224; NSC-766723; N,N'-bis(4-bromophenyl)quinoxaline-2,3-diamine; N2,N3-bis(4-bromophenyl)quinoxaline-2,3-diamine; SR-01000435532; SR-01000435532-1; F0914-2320; N-[3-(4-bromoanilino)-2-quinoxalinyl]-N-(4-bromophenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766723	.	.	.	.	470.2	C20H14Br2N4	49.8	396	6.3	26	2	4	4	"InChI=1S/C20H14Br2N4/c21-13-5-9-15(10-6-13)23-19-20(24-16-11-7-14(22)8-12-16)26-18-4-2-1-3-17(18)25-19/h1-12H,(H,23,25)(H,24,26)"	C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)Br)NC4=CC=C(C=C4)Br	NVDLICVFRRZMPR-UHFFFAOYSA-N
DG60868	"5-{[3-(dimethylamino)propyl]amino}-9,10-dimethyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one"	1587482	"GNF-Pf-2328; 380455-04-9; 5-{[3-(dimethylamino)propyl]amino}-9,10-dimethyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one; CHEMBL601352; SCHEMBL13248364; DTXSID60364534; ZINC1802724; NSC749169; STL227490; AKOS001488099; MCULE-2426521139; NSC-749169; EU-0080328; SR-01000505160; SR-01000505160-1; 8H-thieno[2'3':4,1-a]phthalazin-8-one,5-[[3-(dimethylamino)propyl]amino]-9,10-dimethyl"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749169	.	.	.	.	381.5	C20H23N5OS	88.5	648	3	27	1	5	5	"InChI=1S/C20H23N5OS/c1-12-13(2)27-19-16(12)20(26)25-18(22-19)15-9-6-5-8-14(15)17(23-25)21-10-7-11-24(3)4/h5-6,8-9H,7,10-11H2,1-4H3,(H,21,23)"	CC1=C(SC2=C1C(=O)N3C(=N2)C4=CC=CC=C4C(=N3)NCCCN(C)C)C	WFIFNWRTUCZOSC-UHFFFAOYSA-N
DG60869	"1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione"	1593709	"ZINC1810745; NSC727764; AKOS033004668; MCULE-3190246163; NSC-727764; Z104343464; 1-benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione; 1-benzyl-3-[(3-hydroxyphenyl)amino]-4-(phenylsulfanyl)-2,5-dihydro-1H-pyrrole-2,5-dione; 780823-08-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727764	.	.	.	.	402.5	C23H18N2O3S	94.9	638	4.7	29	2	5	6	"InChI=1S/C23H18N2O3S/c26-18-11-7-10-17(14-18)24-20-21(29-19-12-5-2-6-13-19)23(28)25(22(20)27)15-16-8-3-1-4-9-16/h1-14,24,26H,15H2"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC(=CC=C4)O	DPCJMFSNFKZIKW-UHFFFAOYSA-N
DG60870	"1-[(1E)-3,4,4-trichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl]piperidine"	1617552	"NSC673150; MLS000779864; SMR000420050; 1-((E)-3,4,4-Trichloro-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl)-piperidine; CHEMBL1480171; BDBM71160; cid_1617552; HMS640D14; HMS2792H08; ZINC1856745; STL334553; 1-[(1E)-3,4,4-trichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl]piperidine; AKOS022141805; NSC-673150; 1-(3,4,4-Trichloro-2-(hydroxy(oxido)amino)-1-(phenylthio)-1,3-butadienyl)piperidine; 1-[(1E)-3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]piperidine; 1-[(1E)-3,4,4-trichloro-2-nitro-1-(phenylthio)buta-1,3-dienyl]piperidine; 1-[(1E)-3,4,4-trichloro-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl]piperidine; 1-[(1E)-3,4,4-tris(chloranyl)-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl]piperidine; 1-[(1Z)-3,4,4-trichloro-2-nitro-1-(phenylthio)buta-1,3-dienyl]piperidine; 329788-13-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673150	.	.	.	.	393.7	C15H15Cl3N2O2S	74.4	489	5.9	23	0	4	4	"InChI=1S/C15H15Cl3N2O2S/c16-12(14(17)18)13(20(21)22)15(19-9-5-2-6-10-19)23-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2/b15-13+"	C1CCN(CC1)/C(=C(/C(=C(Cl)Cl)Cl)\\[N+](=O)[O-])/SC2=CC=CC=C2	NSXJBTFGLJLMOV-FYWRMAATSA-N
DG60871	"4-(3,4,4-Trichloro-2-(hydroxy(oxido)amino)-1-(phenylthio)-1,3-butadienyl)morpholine"	1617553	"NSC673151; C14H13Cl3N2O3S; CHEMBL1977541; HMS640F14; ZINC1504128; STL347584; AKOS022141848; NSC-673151; 4-(3,4,4-Trichloro-2-(hydroxy(oxido)amino)-1-(phenylthio)-1,3-butadienyl)morpholine; 4-[(1E)-3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]morpholine; 4-[(1E)-3,4,4-trichloro-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl]morpholine; 329782-45-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673151	.	.	.	.	395.7	C14H13Cl3N2O3S	83.6	492	4.7	23	0	5	4	"InChI=1S/C14H13Cl3N2O3S/c15-11(13(16)17)12(19(20)21)14(18-6-8-22-9-7-18)23-10-4-2-1-3-5-10/h1-5H,6-9H2/b14-12+"	C1COCCN1/C(=C(/C(=C(Cl)Cl)Cl)\\[N+](=O)[O-])/SC2=CC=CC=C2	PDUJPJAFFIKCSE-WYMLVPIESA-N
DG60872	"Morpholine,4'-(3,4-dichloro-2,4-dinitro-1,3-butadiene-1,1-diyl)bis-, (1E,3E)-"	1618703	"NSC698395; CHEMBL2006888; NSC-698395; SR-01000210543; SR-01000210543-1; Morpholine,4'-(3,4-dichloro-2,4-dinitro-1,3-butadiene- 1,1-diyl)bis-, (1E,3E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698395	.	.	.	.	383.18	C12H16Cl2N4O6	117	539	1.6	24	0	8	3	InChI=1S/C12H16Cl2N4O6/c13-9(11(14)18(21)22)10(17(19)20)12(15-1-5-23-6-2-15)16-3-7-24-8-4-16/h1-8H2/b11-9-	C1COCCN1C(=C(/C(=C(/[N+](=O)[O-])\\Cl)/Cl)[N+](=O)[O-])N2CCOCC2	SIZGHGKKZYNVSN-LUAWRHEFSA-N
DG60873	"6-amino-7-(4-chlorophenylsulfonyl)-5-(4-methoxybenzyl)-5H-py rrolo[2,3-dicarbonitrile"	1640083	"ZINC1907191; MFCD04065836; NSC730045; AKOS002387141; MCULE-3485989225; NSC-730045; 6-amino-7-(4-chlorophenylsulfonyl)-5-(4-methoxybenzyl)-5H-py rrolo[2,3-dicarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730045	.	.	.	.	478.9	C22H15ClN6O3S	156	894	3.6	33	1	8	5	"InChI=1S/C22H15ClN6O3S/c1-32-15-6-2-13(3-7-15)12-29-21(26)20(33(30,31)16-8-4-14(23)5-9-16)19-22(29)28-18(11-25)17(10-24)27-19/h2-9H,12,26H2,1H3"	COC1=CC=C(C=C1)CN2C(=C(C3=NC(=C(N=C32)C#N)C#N)S(=O)(=O)C4=CC=C(C=C4)Cl)N	HTJVMRFLWBUXTM-UHFFFAOYSA-N
DG60874	"6-Amino-5-(3-chloroanilino)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile"	1640087	"691396-67-5; 6-amino-7-(4-chlorobenzenesulfonyl)-5-[(3-chlorophenyl)amino]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile; HMS1735L02; ZINC1907198; NSC743267; AKOS001104636; MCULE-9342320106; NSC-743267; 6-amino-5-(3-chloroanilino)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile; Z99600124; 6-Amino-5-((3-chlorophenyl)amino)-7-((4-chlorophenyl)sulfonyl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743267	.	.	.	.	484.3	C20H11Cl2N7O2S	159	889	4.6	32	2	8	4	"InChI=1S/C20H11Cl2N7O2S/c21-11-4-6-14(7-5-11)32(30,31)18-17-20(27-16(10-24)15(9-23)26-17)29(19(18)25)28-13-3-1-2-12(22)8-13/h1-8,28H,25H2"	C1=CC(=CC(=C1)Cl)NN2C(=C(C3=NC(=C(N=C32)C#N)C#N)S(=O)(=O)C4=CC=C(C=C4)Cl)N	CQHPWGQQERADRN-UHFFFAOYSA-N
DG60875	"3,4-dichlorobenzyl)-2,5-dioxo-2,5-dihydro-1H-3-pyrrolylamino]phenylcarboxamido}benzene"	1640162	"ZINC1907306; NSC732697; AKOS001105747; MCULE-5802419088; NSC-732697; 3,4-dichlorobenzyl)-2,5-dioxo -2,5-dihydro-1H-3-pyrrolylamino]phenylcarboxamido}benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732697	.	.	.	.	569.6	C24H14Cl5N3O3	78.5	853	6.9	35	2	4	6	"InChI=1S/C24H14Cl5N3O3/c25-14-4-1-13(19(28)10-14)11-32-23(34)20(29)21(24(32)35)30-17-5-2-12(3-6-17)22(33)31-18-8-15(26)7-16(27)9-18/h1-10,30H,11H2,(H,31,33)"	C1=CC(=CC=C1C(=O)NC2=CC(=CC(=C2)Cl)Cl)NC3=C(C(=O)N(C3=O)CC4=C(C=C(C=C4)Cl)Cl)Cl	CWIRBAVARWSRTI-UHFFFAOYSA-N
DG60876	"1-{4-[4-chloro-1-(2,5-dioxo-2,5-dihydro-1H-3-pyrrolylamino]phenylcarboxamido}-3-trifluoromethylbenze ne"	1640172	"ZINC1907323; NSC732698; AKOS001105203; MCULE-9533942452; NSC-732698; AB00739226-01; 1-{4-[4-chloro-1-(2,5-dioxo-2,5-dihydro- 1H-3-pyrrolylamino]phenylcarboxamido}-3-trifluoromethylbenze ne"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732698	.	.	.	.	568.8	C25H15Cl3F3N3O3	78.5	924	6.5	37	2	7	6	"InChI=1S/C25H15Cl3F3N3O3/c26-16-7-4-14(19(27)11-16)12-34-23(36)20(28)21(24(34)37)32-17-8-5-13(6-9-17)22(35)33-18-3-1-2-15(10-18)25(29,30)31/h1-11,32H,12H2,(H,33,35)"	C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=C(C=C(C=C4)Cl)Cl)Cl)C(F)(F)F	IPSJKPRNFFLPLF-UHFFFAOYSA-N
DG60877	"2-[(2-Phenylquinazolin-4-yl)amino]ethyl 2,2-dimethylpropanoate"	1643479	"2-[(2-phenylquinazolin-4-yl)amino]ethyl 2,2-dimethylpropanoate; MLS000698122; CHEMBL1415959; HMS2538E08; ZINC1912347; MFCD03785827; NSC727901; STK918084; AKOS002241809; MCULE-9936393213; NSC-727901; SMR000230028; MLS000698122-02; 2-(2-phenyl-4-quinazolinylamino)ethyl pivalate; 2-((2-phenylquinazolin-4-yl)amino)ethyl pivalate; 2-[(2-phenyl-4-quinazolinyl)amino]ethyl pivalate; F3098-3306"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727901	.	.	.	.	349.4	C21H23N3O2	64.099	457	5.1	26	1	5	7	"InChI=1S/C21H23N3O2/c1-21(2,3)20(25)26-14-13-22-19-16-11-7-8-12-17(16)23-18(24-19)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,22,23,24)"	CC(C)(C)C(=O)OCCNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3	YLILNUSTSFYDJM-UHFFFAOYSA-N
DG60878	Ethyl 6-chloro-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate	1643514	GNF-Pf-4857; BAS 05172789; CHEMBL584829; SCHEMBL15191289; ZINC1912392; MFCD05668223; MMV006882; NSC766656; AKOS000535115; MCULE-9668336225; NSC-766656; SR-01000324590; SR-01000324590-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766656	.	.	.	.	335.8	C17H22ClN3O2	54.5	381	4	23	1	5	8	"InChI=1S/C17H22ClN3O2/c1-4-23-17(22)14-11-20-15-7-6-12(18)10-13(15)16(14)19-8-5-9-21(2)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,20)"	CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCCCN(C)C)Cl	KMUSVINZSCTMHQ-UHFFFAOYSA-N
DG60879	"1-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2-trifluoromethylbenzene"	1676286	"ZINC1953661; NSC728137; AKOS002244249; MCULE-8816523693; NSC-728137; 1-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2-trifluoromethylbenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728137	.	.	.	.	499.9	C25H17ClF3N3O3	78.5	857	5.3	35	2	7	6	"InChI=1S/C25H17ClF3N3O3/c26-20-21(24(35)32(23(20)34)14-15-7-2-1-3-8-15)30-17-10-6-9-16(13-17)22(33)31-19-12-5-4-11-18(19)25(27,28)29/h1-13,30H,14H2,(H,31,33)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4C(F)(F)F	CMJKINVBKWCSHI-UHFFFAOYSA-N
DG60880	"1-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-5-chloro-2-hydroxybenzene"	1676297	"NSC728143; NSC-728143; 1-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-5-chloro-2-hydroxybenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728143	.	.	.	.	482.3	C24H17Cl2N3O4	98.7	799	4.7	33	3	5	6	"InChI=1S/C24H17Cl2N3O4/c25-16-9-10-19(30)18(12-16)28-22(31)15-7-4-8-17(11-15)27-21-20(26)23(32)29(24(21)33)13-14-5-2-1-3-6-14/h1-12,27,30H,13H2,(H,28,31)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=C(C=CC(=C4)Cl)O	BVTOAIPSEFENDS-UHFFFAOYSA-N
DG60881	"2-chloro-1-[4-(4-chloro-1-cyclohexyl-2,5-dihydro-1 H-3-pyrrolylamino)phenylcarboxamido]benzene"	1676327	"ZINC1953741; NSC743227; AKOS001104751; MCULE-1262154842; NSC-743227; 2-chloro-1-[4-(4-chloro-1-cyclohexyl-2,5-dihydro-1 H-3-pyrrolylamino)phenylcarboxamido]benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743227	.	.	.	.	458.3	C23H21Cl2N3O3	78.5	742	5.3	31	2	4	5	"InChI=1S/C23H21Cl2N3O3/c24-17-8-4-5-9-18(17)27-21(29)14-10-12-15(13-11-14)26-20-19(25)22(30)28(23(20)31)16-6-2-1-3-7-16/h4-5,8-13,16,26H,1-3,6-7H2,(H,27,29)"	C1CCC(CC1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4Cl	WRPVJVKRDSRHBC-UHFFFAOYSA-N
DG60882	"2,5-Bis(4-hydroxybenzylidene)cyclopentanone"	1712706	"2,5-Bis(4-hydroxybenzylidene)cyclopentanone; NSC666766; CHEMBL452101; SCHEMBL14473242; ZINC5955757; BDBM50264922; AKOS001331259; NSC-666766; 2,5-Bis[(E)-4-hydroxybenzylidene]cyclopentanone; (2E,5E)-2,5-bis[(4-hydroxyphenyl)methylene]cyclopentanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666766	.	.	.	.	292.3	C19H16O3	57.5	419	3.8	22	2	3	2	"InChI=1S/C19H16O3/c20-17-7-1-13(2-8-17)11-15-5-6-16(19(15)22)12-14-3-9-18(21)10-4-14/h1-4,7-12,20-21H,5-6H2/b15-11+,16-12+"	C1/C(=C\\C2=CC=C(C=C2)O)/C(=O)/C(=C/C3=CC=C(C=C3)O)/C1	YSEMBYWAAKOCKW-JOBJLJCHSA-N
DG60883	"2,6-Bis(3,4-dimethoxybenzylidene)cyclohexanone"	1714173	"2,6-bis(3,4-dimethoxybenzylidene)cyclohexanone; (2E,6E)-2,6-bis(3,4-dimethoxybenzylidene)cyclohexanone; 18977-33-8; 2,6-Bis-(3,4-dimethoxyphenylmethylene)cyclohexanone; Cyclohexanone, 2,6-bis[(3,4-dimethoxyphenyl)methylene]-; Go-Y032; CHEMBL472887; SCHEMBL19050165; SMSF0004777; ZINC4567280; (2E,6E)-2,6-bis[(3,4-dimethoxyphenyl)methylidene]cyclohexan-1-one; NSC751465; STK159830; AKOS000576017; CB08665; NSC-751465; BIM-0006420.P001; UNM000000682001; J3.516.585A; AE-842/31984020; 2,6-Bis-(3,4-dimethoxyphenylmethylene)-cyclohexanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751465	.	.	.	.	394.5	C24H26O5	54	560	4.9	29	0	5	6	"InChI=1S/C24H26O5/c1-26-20-10-8-16(14-22(20)28-3)12-18-6-5-7-19(24(18)25)13-17-9-11-21(27-2)23(15-17)29-4/h8-15H,5-7H2,1-4H3/b18-12+,19-13+"	COC1=C(C=C(C=C1)/C=C\\2/C(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/CCC2)OC	YOTDZZKBJHGVNA-KLCVKJMQSA-N
DG60884	(2Z)-2-cyano-3-(9-ethyl-9H-carbazol-3-yl)acrylamide	1724503	(2Z)-2-cyano-3-(9-ethyl-9H-carbazol-3-yl)prop-2-enamide; CAA101613; CAA101614; NSC736774; ZINC33248994; NSC-736774; (2Z)-2-cyano-3-(9-ethyl-9H-carbazol-3-yl)acrylamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736774	.	.	.	.	289.3	C18H15N3O	71.8	518	2.9	22	1	2	3	"InChI=1S/C18H15N3O/c1-2-21-16-6-4-3-5-14(16)15-10-12(7-8-17(15)21)9-13(11-19)18(20)22/h3-10H,2H2,1H3,(H2,20,22)/b13-9-"	CCN1C2=C(C=C(C=C2)/C=C(/C#N)\\C(=O)N)C3=CC=CC=C31	LHFRPYQQQAPBGD-LCYFTJDESA-N
DG60885	"Rsl3 (1S,3R-)"	1750826	"RSL3; 1219810-16-8; RSL3 (1S,3R-); 1S,3R-RSL3; CHEMBL4747331; (1S,3R)-RSL3; RSL3 1S,3R-; methyl (1S,3R)-2-(2-chloroacetyl)-1-(4-(methoxycarbonyl)phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate; methyl (1S,3R)-2-(2-chloroacetyl)-1-(4-methoxycarbonylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate; RSL3 1S; SCHEMBL13402744; (1S,3R)-RSL-3; EX-A1392; ZINC2094071; BDBM50547192; NSC833292; s8155; AKOS030632788; CCG-269132; CS-5650; HY-100218A; NSC-833292; CID 1750826; AS-55795; C21479; C71823; Q55879537; (1S,3R)-Methyl 2-(2-chloroacetyl)-1-(4-(methoxycarbonyl)phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate; (1S,3R)-Methyl 2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1-[4-(methoxycarbonyl)phenyl]-1H-pyrido[3,4-b]indole-3-carboxylate; methyl (1S,3R)-2-(2-chloroacetyl)-1-[4-(methoxycarbonyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	833292	.	.	.	.	440.9	C23H21ClN2O5	88.7	696	3.5	31	1	5	6	"InChI=1S/C23H21ClN2O5/c1-30-22(28)14-9-7-13(8-10-14)21-20-16(15-5-3-4-6-17(15)25-20)11-18(23(29)31-2)26(21)19(27)12-24/h3-10,18,21,25H,11-12H2,1-2H3/t18-,21+/m1/s1"	COC(=O)[C@H]1CC2=C([C@@H](N1C(=O)CCl)C3=CC=C(C=C3)C(=O)OC)NC4=CC=CC=C24	TXJZRSRTYPUYRW-NQIIRXRSSA-N
DG60886	Epi-dehydroabietic acid	1761729	"epi-dehydroabietic acid; 2984-04-5; SCHEMBL15313390; DTXSID70365113; ZINC2106696; NSC730999; NSC-730999; (1S)-1,4abeta-Dimethyl-7-isopropyl-1,2,3,4,4a,9,10,10abeta-octahydrophenanthrene-1beta-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730999	.	.	.	.	300.4	C20H28O2	37.3	443	5.6	22	1	2	2	"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19+,20-/m0/s1"	CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@]([C@H]3CC2)(C)C(=O)O)C	NFWKVWVWBFBAOV-SXLOBPIMSA-N
DG60887	"9-(4-fluorobenzyl)-4-(4-methoxyphenyl)-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one"	1777249	"9-(4-fluorobenzyl)-4-(4-methoxyphenyl)-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one; 853892-92-9; 9-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one; CHEMBL591623; EiM07-20700; MMV000604; NSC766685; STL463069; ZINC53184365; AKOS001516067; MCULE-4161834533; NSC-766685; SJ000092540"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766685	.	.	.	.	417.4	C25H20FNO4	48	668	4.3	31	0	6	4	"InChI=1S/C25H20FNO4/c1-29-19-8-4-17(5-9-19)21-12-24(28)31-25-20(21)10-11-23-22(25)14-27(15-30-23)13-16-2-6-18(26)7-3-16/h2-12H,13-15H2,1H3"	COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC4=C3CN(CO4)CC5=CC=C(C=C5)F	PXYOGWFHUSGTGE-UHFFFAOYSA-N
DG60888	"2-(3-Phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)cyclohexanone"	1777592	"NSC671372; 2-(3-Phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)cyclohexanone; 2-[3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]cyclohexanone; CHEMBL1975086; ZINC17255787; ZINC18068355; ZINC102916758; ZINC103711105; ZINC252629911; NSC-671372; AN-689/41741230; (2Z)-2-[(4E,5Z)-3-phenyl-4,5-bis(phenylimino)thiazolidin-2-ylidene]cyclohexanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671372	.	.	.	.	437.6	C27H23N3OS	70.3	768	6.4	32	0	4	3	"InChI=1S/C27H23N3OS/c31-24-19-11-10-18-23(24)27-30(22-16-8-3-9-17-22)25(28-20-12-4-1-5-13-20)26(32-27)29-21-14-6-2-7-15-21/h1-9,12-17H,10-11,18-19H2/b27-23-,28-25 ,29-26 "	C1CCC(=O)/C(=C\\2/N(C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)S2)C5=CC=CC=C5)/C1	UQFVZTVHLXGIEC-GYYLHCQHSA-N
DG60889	"3-(1,3-benzothiazol-2-yl)-5-(4-chlorobenzylidene)-2-phenyl-3,5-dihydro-4H-imidazol-4-one"	1815886	"NSC713685; CHEMBL1992956; ZINC6020165; NSC-713685; AO-240/14587015; 3-(1,3-benzothiazol-2-yl)-5-(4-chlorobenzylidene)-2-phenyl-3,5-dihydro-4H-imidazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713685	.	.	.	.	415.9	C23H14ClN3OS	73.8	682	6.1	29	0	4	3	InChI=1S/C23H14ClN3OS/c24-17-12-10-15(11-13-17)14-19-22(28)27(21(25-19)16-6-2-1-3-7-16)23-26-18-8-4-5-9-20(18)29-23/h1-14H/b19-14-	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=C(C=C3)Cl)/C(=O)N2C4=NC5=CC=CC=C5S4	WJMZWTVDTJOJFC-RGEXLXHISA-N
DG60890	"(2E)-2-[(4-chloroanilino)methylidene]-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	1817078	NSC699952; CHEMBL1965310; NSC-699952	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699952	.	.	.	.	422.9	C25H15ClN4O	70.7	813	4.9	31	1	4	3	"InChI=1S/C25H15ClN4O/c26-17-10-12-18(13-11-17)28-15-20-23(16-6-2-1-3-7-16)19(14-27)24-29-21-8-4-5-9-22(21)30(24)25(20)31/h1-13,15,28H/b20-15+"	C1=CC=C(C=C1)C\\2=C(C3=NC4=CC=CC=C4N3C(=O)/C2=C/NC5=CC=C(C=C5)Cl)C#N	ASQOGSDRLKHILK-HMMYKYKNSA-N
DG60891	"3-amino-N-(2-fluorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	1856915	"3-amino-N-(2-fluorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; CHEMBL601413; 799802-80-5; ZINC2225034; BDBM50306776; NSC754567; STK886360; AKOS000607049; MCULE-1727054318; NSC-754567; 3-amino-N-(2-fluorophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide; SR-01000301938; SR-01000301938-1; F1362-0092"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754567	.	.	.	.	355.4	C18H14FN3O2S	113	548	3.5	25	2	6	2	"InChI=1S/C18H14FN3O2S/c19-11-4-1-2-5-13(11)21-17(24)16-15(20)10-8-9-12(22-18(10)25-16)6-3-7-14(9)23/h1-2,4-5,8H,3,6-7,20H2,(H,21,24)"	C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC=CC=C4F)N)C(=O)C1	YHFDPEYHDOTAOT-UHFFFAOYSA-N
DG60892	"N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide"	1893730	"XL147; 956958-53-5; Pilaralisib analogue; XL147 analogue; PI3K inhibitor X; XL 147; N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide; XL147-II; N-(3-(benzo[c][1,2,5]thiadiazol-5-ylamino)quinoxalin-2-yl)-4-methylbenzenesulfonamide; 1033110-57-4; CHEBI:71957; C21H16N6O2S2; Benzenesulfonamide, N-[3-(2,1,3-benzothiadiazol-5-ylamino)-2-quinoxalinyl]-4-methyl-; N-[3-(2,1,3-Benzothiadiazol-5-ylamino)-2-quinoxalinyl]-4-methyl-benzenesulfonamide; N-[3-(2,1,3-Benzothiadiazol-5-ylamino)-2-quinoxalinyl]-4-methylbenzenesulfonamide,; N-[3-(2,1,3-Benzothiadiazol-5-ylamino)-2-quinoxalinyl]-4-methylbenzenesulfonamide; Oprea1_361507; GTPL7963; SCHEMBL1792641; CHEMBL3218575; AOB5431; DTXSID10145779; SYN1127; HMS3654E06; BCP01861; EX-A1362; ZINC2267166; MFCD16621245; NSC754351; NSC755806; NSC801009; s1118; STL325024; XL147 analogue(PI3K inhibitor X); AKOS015842552; AKOS022131419; CCG-269221; CS-0088; MCULE-9777093020; NSC-754351; NSC-755806; NSC-801009; PB33271; QC-1903; NCGC00346492-01; NCGC00346492-09; AC-23168; HY-11105; FT-0662582; SW219812-1; X7417; EC-000.2364; J3.553.988C; A20590; J-519683; BRD-K95901403-001-01-1; Q27088392; N-[3-(2,1,3-benzothiadiazol-6-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide; SAR245408;N-(3-(benzo[c][1,2,5]thiadiazol-5-ylamino)quinoxalin-2-yl)-4-methylbenzenesulfonamide;XL147 Analogue; XL-147; ; ; N-[3-(2,1,3-Benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754351	.	.	.	.	448.5	C21H16N6O2S2	146	711	4.2	31	2	9	5	"InChI=1S/C21H16N6O2S2/c1-13-6-9-15(10-7-13)31(28,29)27-21-20(23-16-4-2-3-5-17(16)24-21)22-14-8-11-18-19(12-14)26-30-25-18/h2-12H,1H3,(H,22,23)(H,24,27)"	CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=NSN=C5C=C4	MQMKRQLTIWPEDM-UHFFFAOYSA-N
DG60893	5-(4-Dimethylamino-benzylidene)-2-(4-methyl-piperazin-1-yl)-thiazol-4-one	1902891	"NSC735178; ZINC33155025; AKOS001671304; NSC-735178; SR-01000110907; SR-01000110907-1; (5E)-5-[4-(dimethylamino)benzylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5H)-one; 5-(4-Dimethylamino-benzylidene)-2-(4-methyl-piperazin-1-yl)- thiazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735178	.	.	.	.	330.4	C17H22N4OS	64.4	501	2.4	23	0	4	3	"InChI=1S/C17H22N4OS/c1-19(2)14-6-4-13(5-7-14)12-15-16(22)18-17(23-15)21-10-8-20(3)9-11-21/h4-7,12H,8-11H2,1-3H3/b15-12+"	CN1CCN(CC1)C2=NC(=O)/C(=C\\C3=CC=C(C=C3)N(C)C)/S2	RRNSVDBLPXFNEG-NTCAYCPXSA-N
DG60894	"2-amino-1-(3,4-dimethoxyphenyl)-N-[2-(morpholin-4-yl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide"	1912526	"2-amino-1-(3,4-dimethoxyphenyl)-N-[2-(morpholin-4-yl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide; Oprea1_038428; HMS1764M20; ZINC2291079; NSC744231; STK534857; AKOS005466277; MCULE-2316138857; NSC-744231; Z56866048; 376615-31-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744231	.	.	.	.	476.5	C25H28N6O4	117	709	2.5	35	2	8	7	"InChI=1S/C25H28N6O4/c1-33-19-8-7-16(15-20(19)34-2)31-23(26)21(25(32)27-9-10-30-11-13-35-14-12-30)22-24(31)29-18-6-4-3-5-17(18)28-22/h3-8,15H,9-14,26H2,1-2H3,(H,27,32)"	COC1=C(C=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCN5CCOCC5)N)OC	KTCFYDANRCUFDE-UHFFFAOYSA-N
DG60895	1-[(5-Bromo-2-oxoindol-3-yl)amino]-3-(4-fluorophenyl)thiourea	1984902	"MLS001043288; NSC-716771; SMR000415028; NSC716771; SCHEMBL469862; CHEMBL495479; CHEMBL1525098; BDBM66647; cid_5472171; HMS2762I09; 1-[(5-bromo-2-oxoindol-3-yl)amino]-3-(4-fluorophenyl)thiourea; STK795136; AKOS005611816; AKOS032385738; ZINC100532148; MCULE-3352683641; NCI60_040347; 1-[(5-bromo-2-keto-indol-3-yl)amino]-3-(4-fluorophenyl)thiourea; 1-[(5-bromo-2-oxo-3-indolyl)amino]-3-(4-fluorophenyl)thiourea; 1-[(5-bromanyl-2-oxidanylidene-indol-3-yl)amino]-3-(4-fluorophenyl)thiourea; (2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-(4-fluorophenyl)hydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716771	.	.	.	.	393.2	C15H10BrFN4OS	105	461	4.8	23	3	4	2	"InChI=1S/C15H10BrFN4OS/c16-8-1-6-12-11(7-8)13(14(22)19-12)20-21-15(23)18-10-4-2-9(17)3-5-10/h1-7,19,22H,(H,18,23)"	C1=CC(=CC=C1NC(=S)N=NC2=C(NC3=C2C=C(C=C3)Br)O)F	PSCATEPWKBMJOU-UHFFFAOYSA-N
DG60896	"2-[6-(2,4-Dimethylphenoxy)hexylamino]ethanol"	1987880	"2-[6-(2,4-dimethylphenoxy)hexylamino]ethanol; GNF-Pf-3086; 416891-67-3; 2-{[6-(2,4-DIMETHYLPHENOXY)HEXYL]AMINO}ETHANOL; CHEMBL579760; DTXSID50365772; ZINC2380015; MMV666020; NSC766672; MCULE-3760845143; NSC-766672; SR-01000211639; SR-01000211639-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766672	.	.	.	.	265.39	C16H27NO2	41.5	211	2.9	19	2	3	10	"InChI=1S/C16H27NO2/c1-14-7-8-16(15(2)13-14)19-12-6-4-3-5-9-17-10-11-18/h7-8,13,17-18H,3-6,9-12H2,1-2H3"	CC1=CC(=C(C=C1)OCCCCCCNCCO)C	ANYCHFNVJOZGEJ-UHFFFAOYSA-N
DG60897	"3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	2015058	"CHEMBL4784874; ZINC2418087; NSC772494; STK998505; AKOS022093121; MCULE-6861968194; NSC-772494; 3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; 845801-40-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772494	.	.	.	.	379.5	C21H21N3O2S	113	586	4.5	27	2	5	3	"InChI=1S/C21H21N3O2S/c1-3-12-7-4-6-11(2)18(12)24-20(26)19-17(22)14-10-13-15(23-21(14)27-19)8-5-9-16(13)25/h4,6-7,10H,3,5,8-9,22H2,1-2H3,(H,24,26)"	CCC1=CC=CC(=C1NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N)C	QLZOUXUYHFYOID-UHFFFAOYSA-N
DG60898	"3,5-Bis(4-hydroxy-4-methoxybenzylidene)-N-propyl-4-piperidon e"	2053069	"NSC721132; NSC-721132; 3,5-Bis(4-hydroxy-3-methoxybenzylidene)-1-propyl-4-piperidinone; 3,5-Bis(4-hydroxy-4-methoxybenzylidene)-N-propyl-4-piperidon e"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721132	.	.	.	.	409.5	C24H27NO5	79.2	596	3.8	30	2	6	6	"InChI=1S/C24H27NO5/c1-4-9-25-14-18(10-16-5-7-20(26)22(12-16)29-2)24(28)19(15-25)11-17-6-8-21(27)23(13-17)30-3/h5-8,10-13,26-27H,4,9,14-15H2,1-3H3/b18-10+,19-11+"	CCCN1C/C(=C\\C2=CC(=C(C=C2)O)OC)/C(=O)/C(=C/C3=CC(=C(C=C3)O)OC)/C1	QEQQLTXYPHXCKT-XOBNHNQQSA-N
DG60899	"3-(3,6-Dimethyl-3,4-dihydrothieno[2,3-d] pyrimidin-4-one"	2077565	"Oprea1_377099; ZINC2615847; NSC732897; AKOS000534781; MCULE-7009248380; NSC-732897; 3-(3,6-dimethyl-3,4-dihydrothieno[2,3-d] pyrimidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732897	.	.	.	.	339.2	C15H12Cl2N2OS	60.9	447	4.4	21	0	3	2	"InChI=1S/C15H12Cl2N2OS/c1-8-9(2)21-14-13(8)15(20)19(7-18-14)6-10-3-4-11(16)12(17)5-10/h3-5,7H,6H2,1-2H3"	CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=C(C=C3)Cl)Cl)C	ZLFBJEAVHIQAFF-UHFFFAOYSA-N
DG60900	"2-[2-(2-methoxyphenoxy)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide"	2078783	"Oprea1_855954; MLS002252337; CHEMBL1433855; HMS3076G21; ZINC2616973; NSC744144; AKOS002942379; MCULE-1995858582; NSC-744144; SMR001314684; Z26357397; 2-[2-(2-methoxyphenoxy)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide; 447427-48-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744144	.	.	.	.	346.4	C17H18N2O4S	119	476	2.9	24	2	5	6	"InChI=1S/C17H18N2O4S/c1-22-11-6-2-3-7-12(11)23-9-14(20)19-17-15(16(18)21)10-5-4-8-13(10)24-17/h2-3,6-7H,4-5,8-9H2,1H3,(H2,18,21)(H,19,20)"	COC1=CC=CC=C1OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N	MCHVPHDEUATDHC-UHFFFAOYSA-N
DG60901	"N-(1H-1,3-benzodiazol-2-yl)-2-(N-methyl4-chlorobenzenesulfonamido)acetamide"	2079923	"ZINC5967966; NSC744145; AKOS017048083; MCULE-3999781282; NSC-744145; Z27665932; N-(1H-1,3-benzodiazol-2-yl)-2-(N-methyl4-chlorobenzenesulfonamido)acetamide; 757198-84-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744145	.	.	.	.	378.8	C16H15ClN4O3S	104	574	2.6	25	2	5	5	"InChI=1S/C16H15ClN4O3S/c1-21(25(23,24)12-8-6-11(17)7-9-12)10-15(22)20-16-18-13-4-2-3-5-14(13)19-16/h2-9H,10H2,1H3,(H2,18,19,20,22)"	CN(CC(=O)NC1=NC2=CC=CC=C2N1)S(=O)(=O)C3=CC=C(C=C3)Cl	ZCKDUZKSAPPHOM-UHFFFAOYSA-N
DG60902	N-[4-hydroxy-3-(8-quinolinylsulfanyl)-1-naphthyl]-4-methoxybenzenesulfonamide	2133801	708217-32-7; N-[4-hydroxy-3-(8-quinolinylsulfanyl)-1-naphthyl]-4-methoxybenzenesulfonamide; N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-4-methoxybenzenesulfonamide; N-(4-hydroxy-3-(quinolin-8-ylthio)naphthalen-1-yl)-4-methoxybenzenesulfonamide; N-[4-hydroxy-3-(quinolin-8-ylsulfanyl)naphthalen-1-yl]-4-methoxybenzene-1-sulfonamide; ZINC2685385; NSC780575; AKOS001686436; MCULE-1521615246; NSC-780575; AQ-390/42708837; F1566-0461; N-[4-hydroxy-3-(quinolin-8-ylthio)-1-naphthyl]-4-methoxybenzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780575	.	.	.	.	488.6	C26H20N2O4S2	122	767	5.6	34	2	7	6	"InChI=1S/C26H20N2O4S2/c1-32-18-11-13-19(14-12-18)34(30,31)28-22-16-24(26(29)21-9-3-2-8-20(21)22)33-23-10-4-6-17-7-5-15-27-25(17)23/h2-16,28-29H,1H3"	COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC4=CC=CC5=C4N=CC=C5	SBNNJXVXPSWMND-UHFFFAOYSA-N
DG60903	"2-({2-[(3,4-Dimethylphenyl)amino]-4-quinazolinyl}amino)ethanol hydrochloride"	2226126	"GNF-Pf-2941; MLS001008005; SMR000498282; 2-({2-[(3,4-dimethylphenyl)amino]-4-quinazolinyl}amino)ethanol hydrochloride; CHEMBL602413; BDBM78956; cid_2971918; MMV001038; NSC766478; MCULE-1360451959; NSC-766478; 2-[[2-(3,4-dimethylanilino)-4-quinazolinyl]amino]ethanol;hydrochloride; 2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride; 2-[[2-[(3,4-dimethylphenyl)amino]quinazolin-4-yl]amino]ethanol;hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766478	.	.	.	.	308.4	C18H20N4O	70.1	367	3.8	23	3	5	5	"InChI=1S/C18H20N4O/c1-12-7-8-14(11-13(12)2)20-18-21-16-6-4-3-5-15(16)17(22-18)19-9-10-23/h3-8,11,23H,9-10H2,1-2H3,(H2,19,20,21,22)"	CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCCO)C	RHZLKBRFIAZMTN-UHFFFAOYSA-N
DG60904	"3-amino-N-(3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	2250489	"3-amino-N-(3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; 370856-13-6; Cambridge id 6665805; Oprea1_044716; Oprea1_352673; ZINC2902429; NSC768313; STK839356; AKOS001644513; MCULE-4841513781; NSC-768313; 3-amino-N-(3-methoxyphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide; AB00115027-01; SR-01000484722; SR-01000484722-1; Z56863543; F1155-0342; 3-amino-N-(3-methoxyphenyl)-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768313	.	.	.	.	367.4	C19H17N3O3S	123	560	3.4	26	2	6	3	"InChI=1S/C19H17N3O3S/c1-25-11-5-2-4-10(8-11)21-18(24)17-16(20)13-9-12-14(22-19(13)26-17)6-3-7-15(12)23/h2,4-5,8-9H,3,6-7,20H2,1H3,(H,21,24)"	COC1=CC=CC(=C1)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N	PGOHPPFOMMRETJ-UHFFFAOYSA-N
DG60905	(3Z)-1-acetyl-3-[2-(4-nitrophenyl)-2-oxoethylidene]indol-2-one	2274420	"NSC682577; 5238-39-1; (3Z)-1-acetyl-3-[2-(4-nitrophenyl)-2-oxo-ethylidene]indolin-2-one; (3Z)-1-acetyl-3-[2-(4-nitrophenyl)-2-oxoethylidene]indol-2-one; CHEMBL1985477; DTXSID60367560; ZINC290262; SMSF0005277; CB14546; NSC-682577; BIM-0014869.P001; SR-01000200237; SR-01000200237-1; 1-Acetyl-3-(2-(4-(hydroxy(oxido)amino)phenyl)-2-oxoethylidene)-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682577	.	.	.	.	336.3	C18H12N2O5	100	628	2.2	25	0	5	2	"InChI=1S/C18H12N2O5/c1-11(21)19-16-5-3-2-4-14(16)15(18(19)23)10-17(22)12-6-8-13(9-7-12)20(24)25/h2-10H,1H3/b15-10-"	CC(=O)N1C2=CC=CC=C2/C(=C/C(=O)C3=CC=C(C=C3)[N+](=O)[O-])/C1=O	WNLAKPQEYJMQAE-GDNBJRDFSA-N
DG60906	"2-[1-(1,3-Benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]oxyphenol"	2313402	"SMR000060237; MLS000057016; CBMicro_037298; Oprea1_566461; Oprea1_712051; CHEMBL1401945; BDBM37681; cid_2313402; HMS2475A24; ZINC3177516; 2-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]oxyphenol; NSC746418; ZINC03177516; NSC-746418; BIM-0037197.P001; 2-[1-(1,3-benzothiazol-2-yl)-3,5-dimethyl-pyrazol-4-yl]oxyphenol; 2-[[1-(1,3-benzothiazol-2-yl)-3,5-dimethyl-4-pyrazolyl]oxy]phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746418	.	.	.	.	337.4	C18H15N3O2S	88.4	441	4.7	24	1	5	3	"InChI=1S/C18H15N3O2S/c1-11-17(23-15-9-5-4-8-14(15)22)12(2)21(20-11)18-19-13-7-3-6-10-16(13)24-18/h3-10,22H,1-2H3"	CC1=C(C(=NN1C2=NC3=CC=CC=C3S2)C)OC4=CC=CC=C4O	RCROWWJZFXZSGB-UHFFFAOYSA-N
DG60907	"(3E,5E)-1-methyl-3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one"	2327500	"RL71; CHEMBL1224773; 1195795-93-7; 1-Methyl-3,5-bis-(3,4,5-trimethoxy-benzylidene)-piperidin-4-one; SCHEMBL17899559; BDBM50458115; NSC765609; AKOS001015671; NSC-765609; (3E,5E)-1-methyl-3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765609	.	.	.	.	469.5	C26H31NO7	75.7	653	3.5	34	0	8	8	"InChI=1S/C26H31NO7/c1-27-14-18(8-16-10-20(29-2)25(33-6)21(11-16)30-3)24(28)19(15-27)9-17-12-22(31-4)26(34-7)23(13-17)32-5/h8-13H,14-15H2,1-7H3/b18-8+,19-9+"	CN1C/C(=C\\C2=CC(=C(C(=C2)OC)OC)OC)/C(=O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/C1	OGEWTDITEXRGCF-GCBPPVMSSA-N
DG60908	"(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide"	2337642	MLS000418566; CHEMBL1532221; HMS2568D11; NSC744092; NSC-744092; SMR000264988	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744092	.	.	.	.	485	C26H29ClN2O5	69.3	744	3.8	34	1	6	7	"InChI=1S/C26H29ClN2O5/c1-31-22-15-20(16-23(32-2)25(22)33-3)28-26(30)21-9-6-18(14-17-4-7-19(27)8-5-17)24(21)29-10-12-34-13-11-29/h4-5,7-8,14-16H,6,9-13H2,1-3H3,(H,28,30)/b18-14+"	COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C(/C(=C/C3=CC=C(C=C3)Cl)/CC2)N4CCOCC4	ZQUHGTRKRAMSPD-NBVRZTHBSA-N
DG60909	"(3Z)-5-chloro-3-(3,4,5-trimethoxybenzylidene)-1,3-dihydro-2H-indol-2-one"	2338588	"SCHEMBL5480412; HMS1400I22; NSC736798; ZINC32945246; AKOS001766132; NSC-736798; SR-01000119667; SR-01000119667-1; (3Z)-5-chloro-3-(3,4,5-trimethoxybenzylidene)-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736798	.	.	.	.	345.8	C18H16ClNO4	56.8	483	3.4	24	1	4	4	"InChI=1S/C18H16ClNO4/c1-22-15-7-10(8-16(23-2)17(15)24-3)6-13-12-9-11(19)4-5-14(12)20-18(13)21/h4-9H,1-3H3,(H,20,21)/b13-6-"	COC1=CC(=CC(=C1OC)OC)/C=C\\2/C3=C(C=CC(=C3)Cl)NC2=O	UBHPXDOWPCUKCB-MLPAPPSSSA-N
DG60910	"N-(2-methoxyphenyl)-2-(propan-2-ylsulfanyl)-1,3-benzoxazole-5-sulfonamide"	2339468	"ZINC3220931; NSC744143; AKOS034440218; MCULE-4395235114; NSC-744143; Z54338316; N-(2-methoxyphenyl)-2-(propan-2-ylsulfanyl)-1,3-benzoxazole-5-sulfonamide; 749220-11-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744143	.	.	.	.	378.5	C17H18N2O4S2	115	537	3.9	25	1	7	6	"InChI=1S/C17H18N2O4S2/c1-11(2)24-17-18-14-10-12(8-9-16(14)23-17)25(20,21)19-13-6-4-5-7-15(13)22-3/h4-11,19H,1-3H3"	CC(C)SC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3OC	NERFMAHVMVRHGE-UHFFFAOYSA-N
DG60911	"(E)-3-(3,5-Dimethoxy-4-hydroxybenzylidene)indoline-2-one"	2437106	"CHEMBL2163553; BDBM50156385; NSC752702; STL553882; ZINC33418514; AKOS032440662; NSC-752702; (E)-3-(3,5-Dimethoxy-4-hydroxybenzylidene)indoline-2-one; (Z)-3-(4-hydroxy-3,5-dimethoxybenzylidene)indolin-2-one; (e,z)-3-(4-hydroxy-3,5-dimethoxybenzylidene)indolin-2-one; (Z)-3-(3,5-Dimethoxy-4-hydroxybenzylidene)-1H-indole-2(3H)-one; (3Z)-3-(4-hydroxy-3,5-dimethoxybenzylidene)-1,3-dihydro-2H-indol-2-one; 1622139-40-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752702	.	.	.	.	297.3	C17H15NO4	67.8	436	2.5	22	2	4	3	"InChI=1S/C17H15NO4/c1-21-14-8-10(9-15(22-2)16(14)19)7-12-11-5-3-4-6-13(11)18-17(12)20/h3-9,19H,1-2H3,(H,18,20)/b12-7-"	COC1=CC(=CC(=C1O)OC)/C=C\\2/C3=CC=CC=C3NC2=O	YSERLISPSDGHNH-GHXNOFRVSA-N
DG60912	"(2,6-Dichlorophenyl)methyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate"	2466498	"MLS000761127; CHEMBL1414279; HMS2757G22; NSC744206; ZINC13598358; AKOS033594307; MCULE-6101287680; NSC-744206; SMR000365244; Z18027384; (2,6-dichlorophenyl)methyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate; 851397-57-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744206	.	.	.	.	363.2	C17H12Cl2N2O3	67.8	516	3.8	24	1	4	5	"InChI=1S/C17H12Cl2N2O3/c18-13-6-3-7-14(19)12(13)9-24-16(22)8-15-10-4-1-2-5-11(10)17(23)21-20-15/h1-7H,8-9H2,(H,21,23)"	C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC3=C(C=CC=C3Cl)Cl	WGKXQPOQQCWYHH-UHFFFAOYSA-N
DG60913	"N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide"	2594324	"ZINC3476578; NSC744209; AKOS034101878; MCULE-9561452370; NSC-744209; SR-01000064238; SR-01000064238-1; Z29651365; N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide; 851712-87-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744209	.	.	.	.	387.4	C20H13N5O2S	128	671	3.1	28	3	5	3	"InChI=1S/C20H13N5O2S/c26-18-13-7-2-1-6-12(13)17(24-25-18)19(27)23-20-22-16(10-28-20)14-9-21-15-8-4-3-5-11(14)15/h1-10,21H,(H,25,26)(H,22,23,27)"	C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=NC(=CS3)C4=CNC5=CC=CC=C54	KXVUCPXFLZZARK-UHFFFAOYSA-N
DG60914	"N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide"	2671841	"ZINC3554621; NSC746248; AKOS034065645; N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide; MCULE-8710269824; NSC-746248; Z28714792; 848275-50-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746248	.	.	.	.	423.5	C18H15F2N3O3S2	116	659	3.1	28	1	8	5	"InChI=1S/C18H15F2N3O3S2/c1-23(2)28(25,26)13-5-3-4-12(8-13)17(24)22-18-21-16(10-27-18)11-6-7-14(19)15(20)9-11/h3-10H,1-2H3,(H,21,22,24)"	CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F	IPEUMJHGZDEHOI-UHFFFAOYSA-N
DG60915	(2E)-2-[(2-nitrophenyl)methylidene]-3H-inden-1-one	2697149	68063-18-3; (2E)-2-[(2-nitrophenyl)methylidene]-3H-inden-1-one; MLS003106319; NSC150220; CHEMBL322852; DTXSID70369030; ZINC5105092; AKOS001333172; NSC-150220; AB00764532-01; T5741887	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150220	.	.	.	.	265.26	C16H11NO3	62.9	438	3.6	20	0	3	1	"InChI=1S/C16H11NO3/c18-16-13(9-11-5-1-3-7-14(11)16)10-12-6-2-4-8-15(12)17(19)20/h1-8,10H,9H2/b13-10+"	C\\1C2=CC=CC=C2C(=O)/C1=C/C3=CC=CC=C3[N+](=O)[O-]	CVCZIDNJPIBPLJ-JLHYYAGUSA-N
DG60916	Basic red 2	2723800	"BASIC RED 2; 477-73-6; Safranine O; Safranin T; Safranin; Safranin O; Gossypimine; Safranine T; 3,7-Diamino-2,8-dimethyl-5-phenylphenazin-5-ium chloride; Safranine; C.I. Basic Red 2; Tolusafranine; Hidaco safranine; Safranine Zh; Safranine A; Safranine B; Safranine G; Safranine J; Safranine Y; Safranine GF; Safranine OK; Safranine TH; Safranine TN; Safranine TS; Safranine YN; Calcozine Red Y; Leather Red HT; Mitsui safranine T; Brilliant safranine G; Safranine Superfine G; Brilliant safranine BR; Brilliant safranine GR; Cotton Red; Nippon kagaku safranine T; 2,8-Dimethylphenosafranine; Nippon kagaku safranine GK; UNII-XTX0YXU2HV; Phenazinium, 3,7-diamino-2,8-dimethyl-5-phenyl-, chloride; CI 50240; 3,7-Diamino-2,8-dimethyl-5-phenylphenazinium chloride; C.I. 50240; XTX0YXU2HV; 3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine;chloride; Safranine O (C.I. 50240); MFCD00011759; Mitsui safranine; 69882-16-2; Phenazinium, 3,7-diamino-2,8-dimethyl-5-phenyl-, chloride (1:1); Safranin A; Safranin Y; Cerven zasadita 2 [Czech]; Phenazinium, 3,7-diamino-2,8-dimethyl-5-phenyl-, chloride (1:1), homopolymer; Cerven zasadita 2; C20H19N4.Cl; CCRIS 1215; HSDB 2723; EINECS 207-518-8; NSC 47719; Safranin Y or A; Safarin T Solution; Safranin O Solution; Gram's safranin solution; 3,7-Diamino-2,8-dimethyl-5-phenazinium chloride; SCHEMBL15265; Safranine O, Technical grade; Basic Red 2 (Safranine O); C.I. Basic Red 2 (8CI); Safranine O, C.I. 50240; DTXSID60874047; 477-73-6 (comp.); AMY22413; HY-D0215; NSC47719; Safranin O, Dye content >=85 %; 4-Cyano-2-fluoro-5-nitrobenzoicacid; Gram-Hucker's stain solution (III); NSC-47719; AKOS000283004; MCULE-6492536721; Gram's safranin solution, for microscopy; AS-17149; T309; CS-0010127; FT-0690012; BASIC DYE (SAFRANINE B C.I. 50200); C19919; E75934; J90023; S-0700; A872074; Q413672; 3,7-diamino-2,8-dimethyl-5-phenyl-phenazinium chloride; Phenazinium,7-diamino-2,8-dimethyl-5-phenyl-, chloride; Safranin O, certified by the Biological Stain Commission; Safranin O, for microscopy (Bact., Bot., Hist.), indicator (pH 0.3-1.0)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	47719	.	.	.	.	350.8	C20H19ClN4	68.8	405	.	25	2	4	1	"InChI=1S/C20H18N4.ClH/c1-12-8-17-19(10-15(12)21)24(14-6-4-3-5-7-14)20-11-16(22)13(2)9-18(20)23-17;/h3-11H,1-2H3,(H3,21,22);1H"	CC1=CC2=C(C=C1N)[N+](=C3C=C(C(=CC3=N2)C)N)C4=CC=CC=C4.[Cl-]	OARRHUQTFTUEOS-UHFFFAOYSA-N
DG60917	(3-Bromopropyl)triphenylphosphonium bromide	2723862	"(3-Bromopropyl)triphenylphosphonium bromide; 3607-17-8; 3-Bromopropyltriphenylphosphonium Bromide; 3-bromopropyl(triphenyl)phosphanium;bromide; Phosphonium, (3-bromopropyl)triphenyl-, bromide; NSC84074; MFCD00011866; 3-Bromopropyl triphenylphosphonium bromide; 3-(Bromopropyl)triphenylphosphonium; Bromo(3-bromopropyl)triphenylphosphorus; EINECS 222-770-9; NSC 84074; (3-BROMOPROPYL)TRIPHENYLPHOSPHONIUMBROMIDE; C21H21Br2P; SCHEMBL319392; CHEMBL355212; DTXSID20957481; 4539AB; NSC-84074; AKOS005216618; CS-W011547; LS41364; Bromo(3-bromopropyl)triphenylphosphorane; (3-brompropyl)triphenylphosphonium bromide; SY044917; (3-bromopropyl) triphenylphosphonium bromide; B1208; FT-0604703; (3-Bromopropyl)(triphenyl)phosphanium bromide; (3-bromopropyl)(triphenyl)phosphonium bromide; (3-Bromo-propyl)-triphenyl-phosphonium bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84074	.	.	.	.	464.2	C21H21Br2P	0	279	.	24	0	1	6	"InChI=1S/C21H21BrP.BrH/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;1H/q+1;/p-1"	C1=CC=C(C=C1)[P+](CCCBr)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]	ZAHUZZUGJRPGKW-UHFFFAOYSA-M
DG60918	"n-(2-(4-Chloroanilino)-1-methyl-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide"	2726015	"CCG-1423; 285986-88-1; CCG1423; CCG 1423; n-(2-(4-chloroanilino)-1-methyl-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide; N-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-3,5-bis(trifluoromethyl)benzamide; N-[2-(4-chloroanilino)-1-methyl-2-oxoethoxy]-3,5-bis(trifluoromethyl)benzamide; N-[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-3,5-bis(trifluoromethyl)benzamide; N-((1-((4-chlorophenyl)amino)-1-oxopropan-2-yl)oxy)-3,5-bis(trifluoromethyl)benzamide; N-[2-[(4-Chlorophenyl)amino]-1-methyl-2-oxoethoxy]-3,5-bis(trifluoromethyl)benzamide; GTPL6761; CHEMBL4303616; SCHEMBL13663736; AOB3617; DTXSID10369392; EX-A539; SYN5014; BCP13571; 3531AH; MFCD01566719; NSC742825; s7719; AKOS024255850; CS-3689; NSC-742825; AS-16381; DA-42903; HY-13991; C3449; FT-0700277; A876686; J-017150; SR-01000640414-1; Q27075765; 2-({[3,5-bis(trifluoromethyl)phenyl]formamido}oxy)-N-(4-chlorophenyl)propanamide; Benzamide, N-[2-[(4-chlorophenyl)amino]-1-methyl-2-oxoethoxy]-3,5-bis(trifluoromethyl)-; N-[1-[(4-chlorophenyl)amino]-1-oxopropan-2-yl]oxy-3,5-bis(trifluoromethyl)benzamide; N-[2-[(4-Chlorophenyl)amino]-1-methyl-2-oxoethoxy]-3,5-bis(trifluoromethyl)-benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742825	.	.	.	.	454.7	C18H13ClF6N2O3	67.4	586	4.9	30	2	9	5	"InChI=1S/C18H13ClF6N2O3/c1-9(15(28)26-14-4-2-13(19)3-5-14)30-27-16(29)10-6-11(17(20,21)22)8-12(7-10)18(23,24)25/h2-9H,1H3,(H,26,28)(H,27,29)"	CC(C(=O)NC1=CC=C(C=C1)Cl)ONC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F	DSMXVSGJIDFLKP-UHFFFAOYSA-N
DG60919	"2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione"	2728652	"2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione; NSC667463; 29476-14-0; 2-Phenyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione; Maybridge4_003408; Oprea1_024123; CHEMBL1999772; CHEBI:93845; FQEWVXXAJZVQAC-UHFFFAOYSA-; DTXSID60369529; HMS1530K20; CCG-248017; MCULE-6485890505; NSC-667463; NCGC00175876-01; NCI60_023454; AJ-091/33281045; BRD-A32241587-001-01-8; Q27165585; 2,3-Dihydro-2-phenyl-1,5-benzothiazepine-4(5H)-thione; 2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-thione; 2-phenyl-3,5-dihydro-2H-[1,5]benzothiazepine-4-thione; 2-Phenyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667463	.	.	.	.	271.4	C15H13NS2	69.4	299	3.4	18	1	2	1	"InChI=1S/C15H13NS2/c17-15-10-14(11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)16-15/h1-9,14H,10H2,(H,16,17)"	C1C(SC2=CC=CC=C2NC1=S)C3=CC=CC=C3	FQEWVXXAJZVQAC-UHFFFAOYSA-N
DG60920	Tamoxifen citrate	2733525	"Tamoxifen citrate; 54965-24-1; Istubal; Tamoxifen (Citrate); Zitazonium; Kessar; Zemide; Tamoxifen citrate salt; ICI 46474; UNII-7FRV7310N6; C32H37NO8; ICI 46474 citrate; ICI 46,474; Tamoxifen Citrate (Nolvadex); 54965-24-1 (citrate); 7FRV7310N6; MFCD00058321; NSC180973; NSC-180973; NSC-757345; NCGC00024928-06; CAS-54965-24-1; DSSTox_CID_1301; DSSTox_RID_76068; DSSTox_GSID_21301; Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-,2-hydroxy-1,2,3-propanetricarboxylate (1:1); Caditam; Farmifeno; Ginarsan; Jenoxifen; Ledertam; Nourytan; Noxitem; Oncotam; Tafoxen; Tamofen; Tamoxasta; Terimon; Zynoplex; Emblon; Genox; Nolgen; Noltam; Tamax; Tamoxifencitrate; Tamox-Puren; (Z)-2-(4-(1,2-diphenylbut-1-en-1-yl)phenoxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate; 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid; SMR000677949; Z-Tamoxifen citrate; SR-01000075523; Nourytam; Tamofene; Tomaxasta; CCRIS 6718; Tamoxifeni citras; Nolvadex (TN); Soltamox (TN); 2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate (salt); Prestwick_458; EINECS 259-415-2; Tamoxifen citrate [USAN:USP:JAN]; Tamoxifen (Nolvadex); Tamoxifen Citrate,(S); Tamoxifen, citrate salt; Lopac-T-9262; Tamoxifen Z-isomer citrate; CHEMBL786; SCHEMBL6365; MLS001055370; MLS002154210; SPECTRUM1500557; Nolvadex (TN) (AstraZeneca); DTXSID8021301; Tamoxifen citrate (JP17/USP); HMS500M20; Tamoxifen citrate salt, >=99%; HMS1568M14; HMS1921C13; HMS2092K17; HMS2095M14; HMS2232E08; HMS3263B08; HMS3675P04; HMS3712M14; I.C.I.46474 CITRATE; Pharmakon1600-01500557; EX-A5777; hydroxypropane-1,2,3-tricarboxylate; Tox21_110938; Tox21_202070; Tox21_300274; Tox21_501203; CCG-39629; NSC757345; s1238; s1972; AKOS005111126; Tox21_110938_1; CS-1852; KS-5046; LP01203; NCGC00016206-01; NCGC00016206-02; NCGC00016206-03; NCGC00016206-04; NCGC00016206-05; NCGC00016206-06; NCGC00024928-02; NCGC00024928-23; NCGC00094450-01; NCGC00094450-02; NCGC00094450-03; NCGC00094450-04; NCGC00254000-01; NCGC00259619-01; NCGC00261888-01; HY-13757; M936; BCP0726000223; Tamoxifen Citrate - CAS 54965-24-1; EU-0101203; SW219368-1; T2510; (Z)-2-(4-(1,2-diphenylbut-1-enyl)phenoxy); A19582; D00966; J10303; T 9262; 965T241; Q-201776; SR-01000075523-1; SR-01000075523-3; SR-01000075523-5; SR-01000075523-6; Q27108378; SR-01000075523-10; (Z)-1-(4-Dimethylaminoethoxyphenyl)-1,2-diphenyl-1-butene Citrate; Tamoxifen citrate, European Pharmacopoeia (EP) Reference Standard; (z)-2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-n,n-dimethylethanamine,citrate; (Z)-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine citrate; Tamoxifen citrate, United States Pharmacopeia (USP) Reference Standard; (Z)-2-[ p-(1,2-Diphenyl-1-butenyl)phenoxy]- N, N-dimethylethylamine citrate (1:1); (Z)-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-ethanamine cirtrate (1:1); Tamoxifen citrate for performance test, European Pharmacopoeia (EP) Reference Standard; (2-{4-[1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid; (Z)-(2-(4-(1,2-Diphenylbut-1-enyl)phenoxy)ethyl)dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate; (Z)-2-(4-(1,2-diphenylbut-1-enyl)phenoxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate; {2-[4-(1,2-Diphenyl-1-buten-1-yl)phenoxy]ethyl}dimethylamine 2-hydroxy-1,2,3-propanetricarboxylate salt; Ethanamine, 2-(4-((1Z)-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1); Ethanamine,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	180973	.	.	.	.	563.6	C32H37NO8	145	690	.	41	4	9	13	"InChI=1S/C26H29NO.C6H8O7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;"	CC/C(=C(\\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O	FQZYTYWMLGAPFJ-OQKDUQJOSA-N
DG60921	1-Decyl-3-methylimidazolium chloride	2734225	"1-DECYL-3-METHYLIMIDAZOLIUM CHLORIDE; 171058-18-7; 1-decyl-3-methyl-1H-imidazol-3-ium chloride; 1-decyl-3-methylimidazol-3-ium;chloride; CHEBI:61348; MFCD03427605; [C10mim][Cl]; DSSTox_CID_29084; DSSTox_RID_83303; DSSTox_GSID_49228; SCHEMBL383332; CHEMBL3134304; DTXSID6049228; WGA05818; Tox21_202623; AC8081; NSC747267; ZB1659; 1-methyl-3-decyl imidazolium chloride; AKOS015911415; NSC 747267; 1-decyl-3-methylimidazol-3-ium,chloride; NCGC00260171-01; AS-65755; SY108345; CAS-171058-18-7; CS-0152169; D5351; 1-DECYL-3-METHYLIMIDAZOLIUM CHLORIDE [DMIm]Cl; Q27131052"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747267	.	.	.	.	258.829	C14H27ClN2	8.8	159	.	17	0	1	9	"InChI=1S/C14H27N2.ClH/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;/h12-14H,3-11H2,1-2H3;1H/q+1;/p-1"	CCCCCCCCCCN1C=C[N+](=C1)C.[Cl-]	HTZVLLVRJHAJJF-UHFFFAOYSA-M
DG60922	1-Hexadecyl-3-methylimidazolium chloride	2734231	"1-HEXADECYL-3-METHYLIMIDAZOLIUM CHLORIDE; 61546-01-8; 1-hexadecyl-3-methylimidazol-3-ium;chloride; 3-hexadecyl-1-methyl-1H-imidazol-3-ium chloride; NSC-747260; DSSTox_CID_27899; DSSTox_RID_82652; DSSTox_GSID_47923; SCHEMBL295427; CHEMBL595912; DTXSID8047923; Tox21_200600; MFCD03427608; NSC747260; 1-Hexadecyl-3-Methyimidazolium Chloride; 1-methyl-3-hexadecylimidazolium chloride; NCGC00258154-01; 1-methyl-3-hexadecyl imidazolium chloride; BS-52179; CAS-61546-01-8; 1-hexadecyl-3-methylimidazol-3-ium,chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747260	.	.	.	.	343	C20H39ClN2	8.8	230	.	23	0	1	15	"InChI=1S/C20H39N2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;/h18-20H,3-17H2,1-2H3;1H/q+1;/p-1"	CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.[Cl-]	ZCPPLZJPPBIWRU-UHFFFAOYSA-M
DG60923	3-Methyl-1-octadecylimidazolium chloride	2734233	171058-19-8; 3-METHYL-1-OCTADECYLIMIDAZOLIUM CHLORIDE; 1-Octadecyl-3-methylimidazolium chloride; NSC-747269; 1-Methyl-3-octadecylimidazolium chloride; 1-methyl-3-octadecylimidazol-1-ium;chloride; SCHEMBL710188; CHEMBL593913; DTXSID00370174; MFCD03427609; NSC747269; 1-methyl-3-n-octadecylimidazolium chloride; 3-Methyl-1-octadecyl-1H-imidazol-3-iumchloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747269	.	.	.	.	371	C22H43ClN2	8.8	254	.	25	0	1	17	"InChI=1S/C22H43N2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21-20-23(2)22-24;/h20-22H,3-19H2,1-2H3;1H/q+1;/p-1"	CCCCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.[Cl-]	LCXGSWXECDJESI-UHFFFAOYSA-M
DG60924	6-(4-Tert-butylphenoxy)pyridin-3-amine	2735289	"218457-67-1; CB-103; 6-(4-tert-butylphenoxy)pyridin-3-amine; 5-Amino-2-(4-tert-butylphenoxy)pyridine; 6-(4-(tert-Butyl)phenoxy)pyridin-3-amine; 6-[4-(tert-butyl)phenoxy]pyridin-3-amine; UNII-Q5BB91JL0V; Q5BB91JL0V; MLS000833648; CB103; 6-(4-tert-butylphenoxy)-3-pyridinamine; SMR000457169; Maybridge1_001148; Oprea1_231562; SCHEMBL4638726; CHEMBL1420319; BDBM87327; cid_2735289; GTPL10517; HMS544M04; DTXSID00370659; REGID_for_CID_2735289; HMS2787I06; ZINC152719; EX-A4302; MFCD00052647; NSC823659; s9719; AKOS000264357; CCG-233915; DB15279; NSC-823659; PS-7558; 5-Amino-2-(4-tertbutylphenoxy)pyridine; [6-(4-tert-butylphenoxy)-3-pyridyl]amine; DB-045711; HY-135145; CS-0109594; FT-0620888; 6-(4-(1,1-Dimethylethyl)phenoxy)-3-pyridinamine; A815692; 3-Pyridinamine, 6-(4-(1,1-dimethylethyl)phenoxy)-; 3-[(1H-PYRROLE-2-CARBONYL)-AMINO]PROPIONICACID"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	823659	.	.	.	.	242.32	C15H18N2O	48.1	254	3.7	18	1	3	3	"InChI=1S/C15H18N2O/c1-15(2,3)11-4-7-13(8-5-11)18-14-9-6-12(16)10-17-14/h4-10H,16H2,1-3H3"	CC(C)(C)C1=CC=C(C=C1)OC2=NC=C(C=C2)N	WHIWGRCYMQLLAO-UHFFFAOYSA-N
DG60925	"Ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate"	2737412	"33458-26-3; ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate; NSC643910; ethyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate; Ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate; ethyl 6-methyl-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate; ethyl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate; 2-Mercapto-4-methyl-6-phenyl-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester; 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-4-phenyl-2-thioxo-, ethyl ester; 5118-36-5; Maybridge1_006365; Oprea1_330764; CHEMBL455456; SCHEMBL7690389; HMS559J07; DTXSID30965456; BDBM175352; ALBB-010678; BCP10706; BBL028942; MFCD00188414; MFCD00778457; STK096198; STK394294; STK973249; AKOS000273256; AKOS000295404; AKOS002169557; AKOS016037974; AKOS016040515; AKOS016295285; ethyl 2-mercapto-4-methyl-6-phenyl-1,6-dihydropyrimidine-5-carboxylate; MCULE-9753394240; NSC-643910; SB58138; SB60204; 6-Methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester; s11646; AC-31097; NCI60_014903; UPCMLD0ENAT0504-0766:001; BB 0240292; CS-0216794; EU-0067311; FT-0626149; EN300-60723; A923899; SR-01000392939; 10R-0368; SR-01000392939-1; F0126-0205; ethyl 2-mercapto-6-methyl-4-phenyl-1,4-dihydro-5-pyrimidinecarboxylate; ethyl 6-methyl-4-phenyl-2-sulfanyl-1,4-dihydropyrimidine-5-carboxylate; ethyl 6-methyl-4-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate; 2(1H)-Thioxo-3,6-dihydro-4-methyl-6-phenylpyrimidine-5-carboxylic acid ethyl ester; 6-Methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydro -pyrimidine-5-carboxylic acid ethyl ester; 6-Methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester; Ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate #; Ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (7); Pyrimidine-5-carboxilyc acid, 1,2,3,4-tetrahydro-6-methyl-4-phenyl-2-thioxo-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643910	.	.	.	.	276.36	C14H16N2O2S	82.4	400	2	19	2	3	4	"InChI=1S/C14H16N2O2S/c1-3-18-13(17)11-9(2)15-14(19)16-12(11)10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3,(H2,15,16,19)"	CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2)C	QMFBVGUFEGVPNG-UHFFFAOYSA-N
DG60926	"2-[4-(2-Aminophenyl)buta-1,3-diynyl]aniline"	2749742	"31661-58-2; 2-[4-(2-aminophenyl)buta-1,3-diynyl]aniline; Benzenamine, 2,2'-(1,3-butadiyne-1,4-diyl)bis-; YSZC1998; 2,2'-diaminodiphenyldiacetylene; DTXSID30372782; ZINC3845166; NSC729466; NSC-729466; 1,4-Bis(2-aminophenyl)-1,3-butadiyne; 2,2'-(Buta-1,3-diyne-1,4-diyl)dianiline; F21321"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729466	.	.	.	.	232.28	C16H12N2	52	360	3	18	2	2	3	"InChI=1S/C16H12N2/c17-15-11-5-3-9-13(15)7-1-2-8-14-10-4-6-12-16(14)18/h3-6,9-12H,17-18H2"	C1=CC=C(C(=C1)C#CC#CC2=CC=CC=C2N)N	ZGADPHGEVFIWAD-UHFFFAOYSA-N
DG60927	"3,6-Bis(dimethylamino)-9-(2-(ethoxycarbonyl)-phenyl)xanthylium"	2762683	"tetramethylrhodamine ethyl ester(1+); CHEBI:78721; 3,6-Bis(dimethylamino)-9-(2-(ethoxycarbonyl)-phenyl)xanthylium; 3,6-bis(dimethylamino)-9-(2-(ethoxycarbonyl)phenyl)xanthylium; 3,6-Bis(dimethylamino)-9-[2-(ethoxycarbonyl)phenyl]xanthylium; RHODAMINE I; CHEMBL2074884; SCHEMBL12056734; QCR-268; ZINC4521863; NSC796216; NSC-796216; [6-(dimethylamino)-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]-dimethylazanium; Q27147929; 6-(dimethylamino)-9-[2-(ethoxycarbonyl)phenyl]-N,N-dimethyl-3H-xanthen-3-iminium; 116294-02-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	796216	.	.	.	.	415.5	C26H27N2O3+	41.8	788	3.7	31	0	4	5	"InChI=1S/C26H27N2O3/c1-6-30-26(29)20-10-8-7-9-19(20)25-21-13-11-17(27(2)3)15-23(21)31-24-16-18(28(4)5)12-14-22(24)25/h7-16H,6H2,1-5H3/q+1"	CCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N(C)C	PQMJQYONVLIFOV-UHFFFAOYSA-N
DG60928	"5-Amino-N-methyl-1,2,3-thiadiazole-4-carbothioamide"	2771457	"NSC684035; 5-Amino-N-methyl-1,2,3-thiadiazole-4-carbothioamide; 100097-67-4; CHEMBL1967661; ZINC5566437; AKOS006272022; NSC-684035; NCI60_030204; 5-amino-N-methyl-thiadiazole-4-carbothioamide; 1,2,3-thiadiazole-4-carbothioamide,5-amino-n-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684035	.	.	.	.	174.3	C4H6N4S2	124	139	0.9	10	2	5	1	"InChI=1S/C4H6N4S2/c1-6-4(9)2-3(5)10-8-7-2/h5H2,1H3,(H,6,9)"	CNC(=S)C1=C(SN=N1)N	FPJCBCUQMUQUDU-UHFFFAOYSA-N
DG60929	4-azido-1H-quinolin-2-one	2785819	"NSC681261; 4-azido-1H-quinolin-2-one; 4-Azidochinolon; 4-Azido-2-quinolone; 4-azidoquinolin-2-ol; CHEMBL2002946; 4-azido-1,2-dihydroquinolin-2-one; 4-Azido-1,2-dihydroquinoline-2-one; AKOS006229924; NSC-681261; 110216-76-7; NCI60_029015; 4-(2.Lambda.~5~-1,2-Triazadienyl)-2-quinolinol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681261	.	.	.	.	186.17	C9H6N4O	43.5	330	2	14	1	3	1	"InChI=1S/C9H6N4O/c10-13-12-8-5-9(14)11-7-4-2-1-3-6(7)8/h1-5H,(H,11,14)"	C1=CC=C2C(=C1)C(=CC(=O)N2)N=[N+]=[N-]	BYZRVFGVANYGRC-UHFFFAOYSA-N
DG60930	Cambridge id 6684075	2788193	Cambridge id 6684075; CHEMBL601041; MMV000304; NSC165714; AKOS005170537; MCULE-6613364649; NSC-165714; SJ000026232; 111393-54-5	.	.	Investigative Drug(s)	Investigative	Small molecular drug	165714	.	.	.	.	350.8	C21H19ClN2O	34.2	371	.	25	2	3	4	"InChI=1S/C21H18N2O.ClH/c1-2-24-16-13-11-15(12-14-16)22-21-17-7-3-5-9-19(17)23-20-10-6-4-8-18(20)21;/h3-14H,2H2,1H3,(H,22,23);1H"	CCOC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42.Cl	OMULIADPFGXXQF-UHFFFAOYSA-N
DG60931	N4-(4-chlorophenyl)-4-quinazolinamine 4-chlorophenyl(4-quinazolinyl)amine hydrochloride	2789325	N4-(4-chlorophenyl)-4-quinazolinamine 4-chlorophenyl(4-quinazolinyl)amine hydrochloride; NSC728115; AKOS005170528; MCULE-5062050271; NSC-728115; N-(4-chlorophenyl)quinazolin-4-amine;hydrochloride; SR-01000438059; SR-01000438059-1; 351858-33-8	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728115	.	.	.	.	292.2	C14H11Cl2N3	37.8	266	.	19	2	3	2	"InChI=1S/C14H10ClN3.ClH/c15-10-5-7-11(8-6-10)18-14-12-3-1-2-4-13(12)16-9-17-14;/h1-9H,(H,16,17,18);1H"	C1=CC=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)Cl.Cl	PWDJVJUBLDNKLF-UHFFFAOYSA-N
DG60932	N4-propyl-2-(4-methoxyphenyl)-4-quinazolinamine 2-(4-methoxyphenyl)-4-quinazolinyl(propyl)amine hydrochloride	2791338	MFCD02961566; NSC727899; AKOS005170130; MCULE-5398250872; NSC-727899; N4-propyl-2-(4-methoxyphenyl)-4-quinazolinamine 2-(4-methoxyphenyl)-4-quinazolinyl(propyl)amine hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727899	.	.	.	.	329.8	C18H20ClN3O	47	330	.	23	2	4	5	"InChI=1S/C18H19N3O.ClH/c1-3-12-19-18-15-6-4-5-7-16(15)20-17(21-18)13-8-10-14(22-2)11-9-13;/h4-11H,3,12H2,1-2H3,(H,19,20,21);1H"	CCCNC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC.Cl	KVJQEUUXIONOEF-UHFFFAOYSA-N
DG60933	"Ethyl 3-(3-bromobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate"	2792859	"Oprea1_325611; ZINC3017643; NSC732884; AKOS001090606; MCULE-9628944244; NSC-732884; SR-01000574621; SR-01000574621-1; ethyl 3-(3-bromobenzyl)-5-methyl-4-oxo-3,3-d]pyr imidine-6-carboxylate; ethyl 3-(3-bromobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732884	.	.	.	.	407.3	C17H15BrN2O3S	87.2	530	4	24	0	5	5	"InChI=1S/C17H15BrN2O3S/c1-3-23-17(22)14-10(2)13-15(24-14)19-9-20(16(13)21)8-11-5-4-6-12(18)7-11/h4-7,9H,3,8H2,1-2H3"	CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC3=CC(=CC=C3)Br)C	KRRPAZVJPMWJFZ-UHFFFAOYSA-N
DG60934	"11H-indolo[3,2-c]quinolin-6-amine"	2794531	"11H-indolo[3,2-c]quinolin-6-amine; SCHEMBL2970235; NSC736605; NSC-736605"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736605	.	.	.	.	233.27	C15H11N3	54.7	319	3.3	18	2	2	0	"InChI=1S/C15H11N3/c16-15-13-9-5-1-3-7-11(9)17-14(13)10-6-2-4-8-12(10)18-15/h1-8,17H,(H2,16,18)"	C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4N=C3N	BNYAERZPIWGQMM-UHFFFAOYSA-N
DG60935	Isopropyltriphenylphosphonium bromide	2795292	Isopropyltriphenylphosphonium bromide; 1530-33-2; Isopropyl(triphenyl)phosphonium bromide; triphenyl(propan-2-yl)phosphanium;bromide; 2-Propyltriphenylphosphonium Bromide; Isopropyl(triphenyl]phosphonium bromide; Isopropyl-triphenyl-phosphonium iodide; Isopropyl(triphenyl)phosphoniumbromide; SCHEMBL1010505; DTXSID50383613; Triphenylisopropylphosphonium bromide; 7678AA; MFCD00064807; NSC113130; AKOS000280724; MCULE-3560161178; NSC-113130; FT-0674116; F17171; A883854	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113130	.	.	.	.	385.3	C21H22BrP	0	271	.	23	0	1	4	"InChI=1S/C21H22P.BrH/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-18H,1-2H3;1H/q+1;/p-1"	CC(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]	HSOZCYIMJQTYEX-UHFFFAOYSA-M
DG60936	1-[4-(Piperidin-1-Ylsulfonyl)phenyl]-3-(Pyridin-3-Ylmethyl)thiourea	2803102	CHEMBL1586371; 1-[4-(Piperidin-1-Ylsulfonyl)phenyl]-3-(Pyridin-3-Ylmethyl)thiourea; NSC247022; 4jr5; Oprea1_688878; MLS000849846; HMS2784E12; ZINC5581126; BDBM50435378; MCULE-4057396487; NSC-247022; SMR000455864; BRD-K62804994-001-09-4; Q27452206; 1-(3-Pyridylmethyl)-3-[4-(piperidinosulfonyl)phenyl]thiourea; N-[4-(piperidinosulfonyl)phenyl]-N'-(3-pyridylmethyl)thiourea; 1LS	.	.	Investigative Drug(s)	Investigative	Small molecular drug	247022	.	.	.	.	390.5	C18H22N4O2S2	115	550	1.9	26	2	5	5	"InChI=1S/C18H22N4O2S2/c23-26(24,22-11-2-1-3-12-22)17-8-6-16(7-9-17)21-18(25)20-14-15-5-4-10-19-13-15/h4-10,13H,1-3,11-12,14H2,(H2,20,21,25)"	C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CN=CC=C3	NIADLWNDYLCGNO-UHFFFAOYSA-N
DG60937	3-[1-[(4-Fluorophenyl)amino]ethylidene]dihydro-2(3H)-furanone	2815996	NSC680782; CHEMBL1966049; HMS1439E22; ZINC4334922; CCG-252589; NSC-680782; IDI1_014313; 3-[1-[(4-Fluorophenyl)amino]ethylidene]dihydro-2(3H)-furanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680782	.	.	.	.	221.23	C12H12FNO2	38.3	306	2.4	16	1	4	2	"InChI=1S/C12H12FNO2/c1-8(11-6-7-16-12(11)15)14-10-4-2-9(13)3-5-10/h2-5,14H,6-7H2,1H3/b11-8+"	C/C(=C\\1/CCOC1=O)/NC2=CC=C(C=C2)F	TWEZLQROPIJJDQ-DHZHZOJOSA-N
DG60938	"4-Anilino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-2-thiol"	2816491	"NSC679231; Oprea1_127660; CHEMBL1978297; ZINC5593496; CCG-236800; MCULE-8263221426; NSC-679231; NCI60_028350; 4-Anilino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2-thiol; 4-anilino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-2-thiol; 4-Anilino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl hydrosulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679231	.	.	.	.	313.4	C16H15N3S2	93.8	568	3.5	21	2	3	2	"InChI=1S/C16H15N3S2/c20-16-18-14(17-10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)21-15(13)19-16/h1-3,6-7H,4-5,8-9H2,(H2,17,18,19,20)"	C1CCC2=C(C1)C3=C(NC(=S)N=C3S2)NC4=CC=CC=C4	MLNPIHYNSDGMNI-UHFFFAOYSA-N
DG60939	Methenamine allyl iodide	2827274	"Methenamine allyl iodide; 36895-62-2; UNII-H5ZE17E26T; Hexamethylenetetramine allyl iodide; H5ZE17E26T; Allyliodourotropine; Allyl iodide hexamine; 1-prop-2-enyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;iodide; Iodoallylhexamethylenetetramine; Hexamethylenetetramine alliodide; Allyl iodide hexamethylenetetramine; Methenamine allyloiodide; Propene, compd. with hexamethylenetetramine (1:1); Hexamethylenetetramine, compd. with 3-iodopropene (1:1); 3,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-(2-propenyl)-, iodide; EINECS 253-259-9; SCHEMBL8990208; CHEMBL1973323; DTXSID20958094; NSC5062; NSC7309; CCG-2041; NSC 5062; NSC 7309; NSC-5062; NSC-7309; Q27279683; 1-Allyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane iodide; 1-(prop-2-en-1-yl)-1,3,5,7-tetraazatricyclo[3.3.1.1 , ]decan-1-ium iodide; 1-(Prop-2-en-1-yl)-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5062	.	.	.	.	308.16	C9H17IN4	9.7	197	.	14	0	4	2	"InChI=1S/C9H17N4.HI/c1-2-3-13-7-10-4-11(8-13)6-12(5-10)9-13;/h2H,1,3-9H2;1H/q+1;/p-1"	C=CC[N+]12CN3CN(C1)CN(C3)C2.[I-]	MWNFHPSPNQSWME-UHFFFAOYSA-M
DG60940	methyl N-(cyclohexylideneamino)carbamodithioate	2830668	26251-64-9; methyl 2-cyclohexylidenehydrazinecarbodithioate; methyl N-(cyclohexylideneamino)carbamodithioate; NSC269210; ST50454775; CHEMBL1987375; C8H14N2S2; DTXSID20385280; CCG-2240; ZINC6425111; AKOS000808406; Methyl 3-cyclohexylidenedithiocarbazate; MCULE-3296933478; NSC-269210; NCGC00334573-01; AB01327072-02; F0472-0048; 1-[Mercapto(methylthio)methylene]-2-cyclohexylidenehydrazine; N-{[(METHYLSULFANYL)METHANETHIOYL]AMINO}CYCLOHEXANIMINE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269210	.	.	.	.	202.3	C8H14N2S2	81.8	182	2.3	12	1	3	2	"InChI=1S/C8H14N2S2/c1-12-8(11)10-9-7-5-3-2-4-6-7/h2-6H2,1H3,(H,10,11)"	CSC(=S)NN=C1CCCCC1	SXFQFCCHISQZPU-UHFFFAOYSA-N
DG60941	"N-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2-hydroxy-3,5-diiodobenzamide"	2832028	"380309-23-9; N-{2-chloro-5-[(4-chlorophenyl)sulfonyl]phenyl}-2-hydroxy-3,5-diiodobenzamide; CBDivE_004999; CBChromo1_000112; Probes1_000054; Probes1_000092; Probes1_000497; Probes2_000052; Probes2_000072; Probes2_000369; SCHEMBL5150417; CHEMBL1632122; DTXSID70385316; NSC741096; STK082610; ZINC29492431; N-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2-hydroxy-3,5-diiodobenzamide; MCULE-4170935439; NSC-741096; N-[2-Chloro-5-(4-chlorophenylsulfonyl)phenyl]-2-hydroxy-3,5-diiodobenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741096	.	.	.	.	674.1	C19H11Cl2I2NO4S	91.8	684	6.3	29	2	4	4	"InChI=1S/C19H11Cl2I2NO4S/c20-10-1-3-12(4-2-10)29(27,28)13-5-6-15(21)17(9-13)24-19(26)14-7-11(22)8-16(23)18(14)25/h1-9,25H,(H,24,26)"	C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=C(C(=CC(=C3)I)I)O)Cl	FYEYHDOOAYIROF-UHFFFAOYSA-N
DG60942	"1-(1H-Benzotriazol-1-yl)-3,4,4-trichloro-2-nitro-1-piperidino-1,3-butadiene"	2833828	"NSC698369; CHEMBL2003402; NSC-698369; J3.600.858J; (E)-1-(1H-Benzotriazole-1-yl)-1-piperidino-3,4,4-trichloro-2-nitro-1,3-butadiene; 1-(1H-Benzotriazol-1-yl)-3,4,4-trichloro-2-nitro-1-piperidino-1,3-butadiene; 1-[(1E)-3,4,4-Trichloro-2-nitro-1-(1-piperidinyl)-1,3-butadienyl]-1H-1,2,3-benzotriazole #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698369	.	.	.	.	402.7	C15H14Cl3N5O2	79.8	582	4.7	25	0	5	3	"InChI=1S/C15H14Cl3N5O2/c16-12(14(17)18)13(23(24)25)15(21-8-4-1-5-9-21)22-11-7-3-2-6-10(11)19-20-22/h2-3,6-7H,1,4-5,8-9H2/b15-13+"	C1CCN(CC1)/C(=C(/C(=C(Cl)Cl)Cl)\\[N+](=O)[O-])/N2C3=CC=CC=C3N=N2	VBDMKQQPIZZLGR-FYWRMAATSA-N
DG60943	2-amino-4-(3-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile	2840350	2-amino-4-(3-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile; 149550-57-2; 2-AMINO-4-(3-METHOXYPHENYL)-4H-BENZO(H)CHROMENE-3-CARBONITRILE; SCHEMBL8538963; CHEMBL4583721; NSC806203; AKOS015992497; MCULE-1842344830; NSC-806203; CS-0260598; AB00079780-01; 2Z-0225; SR-01000203793; SR-01000203793-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	806203	.	.	.	.	328.4	C21H16N2O2	68.3	578	4.5	25	1	4	2	"InChI=1S/C21H16N2O2/c1-24-15-7-4-6-14(11-15)19-17-10-9-13-5-2-3-8-16(13)20(17)25-21(23)18(19)12-22/h2-11,19H,23H2,1H3"	COC1=CC=CC(=C1)C2C3=C(C4=CC=CC=C4C=C3)OC(=C2C#N)N	QMOAGEFZQCHUSG-UHFFFAOYSA-N
DG60944	6-Thioinosine	2861016	"Arabinosyl-6-mercaptopurine; 6-Thioinosine; Inosine, 6-thio-; 6-Thiopurine riboside; 6MP-Arabinoside; 6TI;6-Mercaptopurine riboside; Arabinofuranosyl-6-mercaptopurine; 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione; NSC406021; .beta.-D-Arabinosyl-6-mercaptopurine; NSC 406021; 6-Thio-9-.beta.-D-arabinofuranosylpurine; .beta.-D-Arabinofuranosyl-6-mercaptopurine; ARA-6MP; 892-49-9; Thionosine; Tioinosine; 9H-Purine-6-thiol, 9-.beta.-D-arabinofuranosyl-; 6-Mercaptopurine ribonucleoside; 9-.beta.-D-Arabinofuranosyl-1,9-dihydro-6H-purine-6-thione; 6-MP-Riboside; 15639-75-5; 6-Thiopurine ribonucleoside; 6-MPR; NSC 4911; 6-Thioinosin; NSC-406021; NCGC00096122-03; .beta.-Ara-6-MP; 6-mercaptopurineriboside; NCIOpen2_006707; Oprea1_451120; SCHEMBL34471; 6H-Purine-6-thione, 9-.beta.-D-arabinofuranosyl-1,9-dihydro-; 6TI;6- Thioinosine;Thioinosine; SCHEMBL21423100; BDBM82531; NSC4911; BCP31879; CAS_1867; NSC-4911; NSC_1867; NSC84321; NSC92428; NSC92429; NSC99193; NSC-84321; NSC-92428; NSC-92429; NSC-99193; AKOS000656331; AKOS024282343; MCULE-9063264221; 6-Thio-9-.beta.-arabinofuranosylpurine; NCGC00096122-01; NCGC00096122-02; NCGC00096122-04; NCI60_003847; DB-053052; DS-005911; 6-Thio-9-.beta.-arabinofuranosylpurine, D-; FT-0632417; FT-0696825; 9-(.beta.-D-Arabinofuranosyl)-6-mercaptopurine; 9-.beta.-D-Arabinofuranosyl-9H-purine-6-thiol; 9H-Purine-6-thiol, 9-.beta.-D-ribofuranosyl-; 9H-Purine-6-thiol, 9-.beta.-D-ribofuransoyl-; 6H-purine-6-thione,1,9-dihydro-9-b-l-ribofuranosyl-; 9H-Purine-6(1H)-thione, 9-.beta.-D-ribofuranosyl-; 2-(Hydroxymethyl)-5-(6-mercapto-9H-purin-9-yl)tetrahydrofuran-3,4-diol; 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purine-6-thione; 1397182-37-4; 7687-43-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4911	.	.	.	.	284.29	C10H12N4O4S	144	409	-0.6	19	4	6	2	"InChI=1S/C10H12N4O4S/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)"	C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O	NKGPJODWTZCHGF-UHFFFAOYSA-N
DG60945	N-[(8-Hydroxy-quinolin-7-yl)-p-tolyl-methyl]-benzamide	2871966	TCMDC-125552; Oprea1_696032; Oprea1_835393; CHEMBL525338; N-[(8-Hydroxy-quinolin-7-yl)-p-tolyl-methyl]-benzamide; SCHEMBL13498066; NSC756783; AKOS000538953; MCULE-2157523094; NSC-756783; EU-0007196; SR-01000454011; SR-01000454011-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756783	.	.	.	.	368.4	C24H20N2O2	62.2	511	5.2	28	2	3	4	"InChI=1S/C24H20N2O2/c1-16-9-11-18(12-10-16)21(26-24(28)19-6-3-2-4-7-19)20-14-13-17-8-5-15-25-22(17)23(20)27/h2-15,21,27H,1H3,(H,26,28)"	CC1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC(=O)C4=CC=CC=C4	KISDJXZVLXBGQQ-UHFFFAOYSA-N
DG60946	4-Bromo-2-{[4-(4-chlorobenzyl)piperazin-1-yl]methyl}phenol	2887065	4-bromo-2-{[4-(4-chlorobenzyl)piperazin-1-yl]methyl}phenol; CBMicro_010782; Oprea1_575218; CHEMBL600444; SMSF0014236; MMV665809; NSC766767; STK087050; ZINC19364014; AKOS005393926; CB14149; MCULE-4099217110; NSC-766767; BIM-0010853.P001; SJ000292024	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766767	.	.	.	.	395.7	C18H20BrClN2O	26.7	357	4	23	1	3	4	"InChI=1S/C18H20BrClN2O/c19-16-3-6-18(23)15(11-16)13-22-9-7-21(8-10-22)12-14-1-4-17(20)5-2-14/h1-6,11,23H,7-10,12-13H2"	C1CN(CCN1CC2=CC=C(C=C2)Cl)CC3=C(C=CC(=C3)Br)O	UDBUKNAECQQGSK-UHFFFAOYSA-N
DG60947	"1-(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline"	2900551	"1-(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline; Oprea1_372435; CHEMBL548226; NSC766704; STK003728; AKOS001764931; MCULE-1548043130; NSC-766704"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766704	.	.	.	.	470.6	C29H31FN4O	43.5	680	4.7	35	2	5	5	"InChI=1S/C29H31FN4O/c1-35-27-11-6-20(28-29-25(12-13-31-28)24-4-2-3-5-26(24)32-29)18-21(27)19-33-14-16-34(17-15-33)23-9-7-22(30)8-10-23/h2-11,18,28,31-32H,12-17,19H2,1H3"	COC1=C(C=C(C=C1)C2C3=C(CCN2)C4=CC=CC=C4N3)CN5CCN(CC5)C6=CC=C(C=C6)F	SUVBDWQXLWTGRI-UHFFFAOYSA-N
DG60948	"5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol"	2919324	"5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol; 345987-96-4; NSC665950; 3-(1-adamantyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione; C15H21N3S; 5-(Adamantan-1-yl)-4-allyl-4H-1,2,4-triazole-3-thiol; 5-adamantanyl-4-prop-2-enyl-1,2,4-triazole-3-thiol; Oprea1_869139; MLS001210242; CHEMBL1458923; HMS1616M08; HMS2840H03; ZINC4112618; 1018AE; CCG-23996; STK734017; AKOS000303118; MCULE-2908616680; NSC-665950; NCI60_022878; SMR000524729; CS-0320297; 3-(1-adamantyl)-4-allyl-1H-1,2,4-triazole-5-thione; 5-(1-adamantyl)-4-allyl-4H-1,2,4-triazole-3-thiol; 3-(1-Adamantyl)-4-allyl-1H-1,2,4-triazole-5(4H)-thione; 5-(1-adamantyl)-4-allyl-2,4-dihydro-3H-1,2,4-triazole-3-thione; 5-Adamantan-1-yl-4-allyl-2,4-dihydro-[1,2,4]triazole-3-thione; 3-(adamantan-1-yl)-4-(2-propen-1-yl)-1h-1,2,4-triazole-5(4h)-thione; 3-(Adamantan-1-yl)-4-(prop-2-en-1-yl)-1H-1,2,4-triazole- 5(4H)-thione; 4-(prop-2-en-1-yl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665950	.	.	.	.	275.4	C15H21N3S	59.7	427	3.2	19	1	2	3	"InChI=1S/C15H21N3S/c1-2-3-18-13(16-17-14(18)19)15-7-10-4-11(8-15)6-12(5-10)9-15/h2,10-12H,1,3-9H2,(H,17,19)"	C=CCN1C(=NNC1=S)C23CC4CC(C2)CC(C4)C3	OHBBEMCCNREWPO-UHFFFAOYSA-N
DG60949	"2-Methoxyethyl 4-(3-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate"	2926768	"599150-20-6; HPI 1; HPI-1; 2-methoxyethyl 4-(3-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate; 2-methoxyethyl 4-(3-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate; 2-METHOXYETHYL 4-(3-HYDROXYPHENYL)-7-(2-METHOXYPHE NYL)-2-METHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE; 2-methoxyethyl 4-(3-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate; ST093553; MLS006011765; SCHEMBL644336; CHEMBL1243339; DTXSID90387857; ALBB-014919; MFCD03312466; NSC758486; NSC791224; STK403236; AKOS003301235; AKOS017258790; MCULE-9828876274; NSC-758486; NSC-791224; NCGC00346826-01; NCGC00346826-04; LS-04742; SMR004703476; DB-104684; EU-0083012; FT-0684251; C16051; AS-764/43317412; J-005358; 1,4,5,6,7,8-Hexahydro-4-(3-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-3-quinolinecarboxylic acid 2-methoxyethyl ester; 2-Methoxyethyl 4-(3-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline; 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(3-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-, 2-methoxyethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758486	.	.	.	.	463.5	C27H29NO6	94.1	833	3.3	34	2	7	8	"InChI=1S/C27H29NO6/c1-16-24(27(31)34-12-11-32-2)25(17-7-6-8-19(29)13-17)26-21(28-16)14-18(15-22(26)30)20-9-4-5-10-23(20)33-3/h4-10,13,18,25,28-29H,11-12,14-15H2,1-3H3"	CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=CC=C4)O)C(=O)OCCOC	ZXSWZQSYZYMZKS-UHFFFAOYSA-N
DG60950	2-[(3-Chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylpropan-1-ol	2979608	GNF-Pf-2198; CHEMBL601567; MMV665857; NSC766547; AKOS001479384; MCULE-3537518642; NSC-766547	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766547	.	.	.	.	349.8	C19H24ClNO3	50.7	352	3.5	24	2	4	8	"InChI=1S/C19H24ClNO3/c1-4-24-19-16(20)10-14(11-17(19)23-3)12-21-13(2)18(22)15-8-6-5-7-9-15/h5-11,13,18,21-22H,4,12H2,1-3H3"	CCOC1=C(C=C(C=C1Cl)CNC(C)C(C2=CC=CC=C2)O)OC	XSOXWLLLSNOJGJ-UHFFFAOYSA-N
DG60951	NSC623092	3000332	"Acetamide, N-(2-(2,4-bis((ethenylamino)thioxomethyl)-2,3,4,5-tetrahydro-5-oxo-3-thioxo-1,2,4-triazin-6-yl)phenyl)-2,2,2-trifluoro-; NSC623092; 134793-47-8; 3-Thioxo-2,4-Di(N-vinylaminothioxomethyl)-6-(2-trifluoroacetylaminophenyl)-1,2,4-triazine-5(2H,4H)-one; Acetamide, N-(2-(2,4-bis((ethenylamino)thioxomethyl)-2,3,4,5-tetrahydro-5-oxo-3-thioxo-1,2,4-triazin-6-yl)phenyl)-2,2,2-trifluoro-; Acetamide, N-[2-[2,4-bis[(ethenylamino)thioxomethyl]-2,3,4,5-tetrahydro-5-oxo-3-thioxo-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoro-; NSC 623092; CHEMBL1999543; DTXSID20158951; ZINC1617158; NSC-623092; NCI60_006882; 2,2,2-trifluoro-N-[2-[5-oxo-3-thioxo-2,4-bis(vinylcarbamothioyl)-1,2,4-triazin-6-yl]phenyl]acetamide; 2,3-Dihydro-2,4-bis(ethenylthiocarbamoyl)-3-thioxo-6-[2-[(trifluoroacetyl)amino]phenyl]-1,2,4-triazin-5(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623092	.	.	.	.	486.5	C17H13F3N6O2S3	185	861	3.9	31	3	9	4	"InChI=1S/C17H13F3N6O2S3/c1-3-21-14(29)25-12(27)11(24-26(16(25)31)15(30)22-4-2)9-7-5-6-8-10(9)23-13(28)17(18,19)20/h3-8H,1-2H2,(H,21,29)(H,22,30)(H,23,28)"	C=CNC(=S)N1C(=O)C(=NN(C1=S)C(=S)NC=C)C2=CC=CC=C2NC(=O)C(F)(F)F	FFLNCWNLBCUZJK-UHFFFAOYSA-N
DG60952	"3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-"	3000333	"NSC623094; 134793-48-9; 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-; 1-Trifluoroacetyl-(2,3-e)(3-mercapto-1,2,4-triazin)indole; 1-Trifluoroacetyl-[2,3-e](3-mercapto-1,2,4-triazin)indole; 3H-1,2,4-Triazino[5,6-b]indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-; NSC 623094; CHEMBL2005082; DTXSID80158952; ZINC1617160; NSC-623094; NCI60_006884; 5-(Trifluoroacetyl)-5H-1,2,4-triazino[5,6-b]indole-3-thiol; 2,2,2-trifluoro-1-(3-sulfanyl-[1,2,4]triazino[5,6-b]indol-5-yl)ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623094	.	.	.	.	298.25	C11H5F3N4OS	89.2	542	2.1	20	1	6	0	"InChI=1S/C11H5F3N4OS/c12-11(13,14)9(19)18-6-4-2-1-3-5(6)7-8(18)15-10(20)17-16-7/h1-4H,(H,15,17,20)"	C1=CC=C2C(=C1)C3=NNC(=S)N=C3N2C(=O)C(F)(F)F	AGSZBVGKWLFZNG-UHFFFAOYSA-N
DG60953	NSC641283	3000383	"2-[4-[(2E)-2-[[(1E)-2-[4-(carboxymethyloxy)-2,3-dichloro-phenyl]-1-[5-(4-fluorophenyl)dithiol-3-ylidene]-2-oxo-ethyl]disulfanyl]-2-[5-(4-fluorophenyl)dithiol-3-ylidene]acetyl]-2,3-dichloro-phenoxy]acetic acid; NSC641283; CHEMBL1972689; ZINC150435231; NSC-641283; 2-[4-[(2E)-2-[[(1E)-2-[4-(carboxymethyloxy)-2,3-dichloro-phenyl]-1-[5-(4-fluorophenyl)dithiol-3-ylidene]-2-oxo-ethyl]disulfanyl]-2-[5-(4-fluorophenyl)dithiol-3-ylidene]acetyl]-2,3-dichloro-phenoxy]acetic acid; Bis[2,3-dichloro-[1-oxo[-5-(4-fluorophenyl)-1,2-dithiol-3-ylidene]-2-ethyl]-4-phenoxyacetic acid] disulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641283	.	.	.	.	976.8	C38H20Cl4F2O8S6	279	1570	10.8	58	2	16	15	"InChI=1S/C38H20Cl4F2O8S6/c39-31-21(9-11-23(33(31)41)51-15-29(45)46)35(49)37(27-13-25(53-55-27)17-1-5-19(43)6-2-17)57-58-38(28-14-26(54-56-28)18-3-7-20(44)8-4-18)36(50)22-10-12-24(34(42)32(22)40)52-16-30(47)48/h1-14H,15-16H2,(H,45,46)(H,47,48)/b37-27+,38-28+"	C1=CC(=CC=C1C2=C/C(=C(\\SS/C(=C\\3/SSC(=C3)C4=CC=C(C=C4)F)/C(=O)C5=C(C(=C(C=C5)OCC(=O)O)Cl)Cl)/C(=O)C6=C(C(=C(C=C6)OCC(=O)O)Cl)Cl)/SS2)F	ALWDXTSKOJXXNH-RIGUPBQNSA-N
DG60954	NSC641281	3000384	"2-[4-[(2E)-2-[5-(4-bromophenyl)dithiol-3-ylidene]-2-[[(1E)-1-[5-(4-bromophenyl)dithiol-3-ylidene]-2-[4-(carboxymethyloxy)-2,3-dichloro-phenyl]-2-oxo-ethyl]disulfanyl]acetyl]-2,3-dichloro-phenoxy]acetic acid; NSC641281; CHEMBL1983816; NSC-641281; 2-(4-(2-(5-(4-bromophenyl)-3H-1,2-dithiol-3-ylidene)-2-(4-(carboxymethoxy)-2,3-dichlorophenyl)-2-oxoethyl)disufanyl)acetyl)-2,3-dichlorophenoxy)acetic acid; 2-[4-[(2E)-2-[5-(4-bromophenyl)dithiol-3-ylidene]-2-[[(1E)-1-[5-(4-bromophenyl)dithiol-3-ylidene]-2-[4-(carboxymethyloxy)-2,3-dichloro-phenyl]-2-oxo-ethyl]disulfanyl]acetyl]-2,3-dichloro-phenoxy]acetic acid; Bis[2,3-dichloro-[1-oxo[-5-(4-bromophenyl)-1,2-dithiol-3-ylidene]-2-ethyl]-4-phenoxyacetic acid] disulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641281	.	.	.	.	1098.6	C38H20Br2Cl4O8S6	279	1570	12	58	2	14	15	"InChI=1S/C38H20Br2Cl4O8S6/c39-19-5-1-17(2-6-19)25-13-27(55-53-25)37(35(49)21-9-11-23(33(43)31(21)41)51-15-29(45)46)57-58-38(28-14-26(54-56-28)18-3-7-20(40)8-4-18)36(50)22-10-12-24(34(44)32(22)42)52-16-30(47)48/h1-14H,15-16H2,(H,45,46)(H,47,48)/b37-27+,38-28+"	C1=CC(=CC=C1C2=C/C(=C(\\SS/C(=C\\3/SSC(=C3)C4=CC=C(C=C4)Br)/C(=O)C5=C(C(=C(C=C5)OCC(=O)O)Cl)Cl)/C(=O)C6=C(C(=C(C=C6)OCC(=O)O)Cl)Cl)/SS2)Br	CFGGOWFXJVIRMZ-RIGUPBQNSA-N
DG60955	NSC641285	3000387	"2-[4-[(2E)-2-[[(1E)-2-[4-(carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(2-methylphenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(2-methylphenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic acid; MLS002701533; NSC641285; SMR001565134; CHEMBL1714335; BDBM93569; cid_3000387; ZINC150435252; NSC-641285; Disulfide,2-dithiole- 3-ylidene]-2-oxo-2-[[2,3-dichloro- 4-(carboxymethoxy)phenyl]ethyl]]; 2-[4-[(2E)-2-[[(1E)-2-[2,3-bis(chloranyl)-4-(2-hydroxy-2-oxoethyloxy)phenyl]-1-[5-(2-methylphenyl)-1,2-dithiol-3-ylidene]-2-oxidanylidene-ethyl]disulfanyl]-2-[5-(2-methylphenyl)-1,2-dithiol-3-ylidene]ethanoyl]-2,3-bis(chloranyl)phenoxy]ethanoic acid; 2-[4-[(2E)-2-[[(1E)-2-[4-(carboxymethoxy)-2,3-dichloro-phenyl]-2-keto-1-[5-(o-tolyl)dithiol-3-ylidene]ethyl]disulfanyl]-2-[5-(o-tolyl)dithiol-3-ylidene]acetyl]-2,3-dichloro-phenoxy]acetic acid; 2-[4-[(2E)-2-[[(1E)-2-[4-(carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(2-methylphenyl)-3-dithiolylidene]-2-oxoethyl]disulfanyl]-2-[5-(2-methylphenyl)-3-dithiolylidene]-1-oxoethyl]-2,3-dichlorophenoxy]acetic acid; 2-[4-[(2E)-2-[[(1E)-2-[4-(carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(2-methylphenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(2-methylphenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic acid; 2-[4-[(2E)-2-[[(1E)-2-[4-(carboxymethyloxy)-2,3-dichloro-phenyl]-1-[5-(o-tolyl)dithiol-3-ylidene]-2-oxo-ethyl]disulfanyl]-2-[5-(o-tolyl)dithiol-3-ylidene]acetyl]-2,3-dichloro-phenoxy]acetic acid; Bis[2,3-dichloro-[1-oxo[-5-(2-methylphenyl)-1,2-dithiol-3-ylidene]-2-ethyl]-4-phenoxyacetic acid] disulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641285	.	.	.	.	968.8	C40H26Cl4O8S6	279	1570	11.3	58	2	14	15	"InChI=1S/C40H26Cl4O8S6/c1-19-7-3-5-9-21(19)27-15-29(55-53-27)39(37(49)23-11-13-25(35(43)33(23)41)51-17-31(45)46)57-58-40(30-16-28(54-56-30)22-10-6-4-8-20(22)2)38(50)24-12-14-26(36(44)34(24)42)52-18-32(47)48/h3-16H,17-18H2,1-2H3,(H,45,46)(H,47,48)/b39-29+,40-30+"	CC1=CC=CC=C1C2=C/C(=C(\\SS/C(=C\\3/SSC(=C3)C4=CC=CC=C4C)/C(=O)C5=C(C(=C(C=C5)OCC(=O)O)Cl)Cl)/C(=O)C6=C(C(=C(C=C6)OCC(=O)O)Cl)Cl)/SS2	USTZDWIBEMKHEZ-NXRKLTDKSA-N
DG60956	NSC641282	3000388	"2-[4-[(2E)-2-[[(1E)-2-[4-(carboxymethyloxy)-2,3-dichloro-phenyl]-1-[5-(m-tolyl)dithiol-3-ylidene]-2-oxo-ethyl]disulfanyl]-2-[5-(m-tolyl)dithiol-3-ylidene]acetyl]-2,3-dichloro-phenoxy]acetic acid; NSC641282; CHEMBL1965357; NSC-641282; 2-[4-[(2E)-2-[[(1E)-2-[4-(carboxymethyloxy)-2,3-dichloro-phenyl]-1-[5-(m-tolyl)dithiol-3-ylidene]-2-oxo-ethyl]disulfanyl]-2-[5-(m-tolyl)dithiol-3-ylidene]acetyl]-2,3-dichloro-phenoxy]acetic acid; Bis[2,3-dichloro-[1-oxo[-5-(3-methylphenyl)-1,2-dithiol-3-ylidene]-2-ethyl]-4-phenoxyacetic acid] disulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641282	.	.	.	.	968.8	C40H26Cl4O8S6	279	1570	11.3	58	2	14	15	"InChI=1S/C40H26Cl4O8S6/c1-19-5-3-7-21(13-19)27-15-29(55-53-27)39(37(49)23-9-11-25(35(43)33(23)41)51-17-31(45)46)57-58-40(30-16-28(54-56-30)22-8-4-6-20(2)14-22)38(50)24-10-12-26(36(44)34(24)42)52-18-32(47)48/h3-16H,17-18H2,1-2H3,(H,45,46)(H,47,48)/b39-29+,40-30+"	CC1=CC(=CC=C1)C2=C/C(=C(\\SS/C(=C\\3/SSC(=C3)C4=CC=CC(=C4)C)/C(=O)C5=C(C(=C(C=C5)OCC(=O)O)Cl)Cl)/C(=O)C6=C(C(=C(C=C6)OCC(=O)O)Cl)Cl)/SS2	BVYDMAWCWJHUAI-NXRKLTDKSA-N
DG60957	2'-Deoxythioguanosine	3000603	"789-61-7; 6-Thio-dG; 2'-Deoxythioguanosine; TGdR; Thioguanine deoxyriboside; 2'-Deoxy-6-thio Guanosine; 6-Mercaptoguaninedeoxyriboside; 6-THIO-2'-DEOXYGUANOSINE; UNII-KR0RFB46DF; KR0RFB46DF; 2'-deoxy-6-thioguanosine; beta-Thioguanidine deoxyriboside; BETA-THIOGUANINE DEOXYRIBOSIDE; 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione; beta-2'-Deoxy-6-thioguanosine monohydrate; 2'-Desoxy-6-thioguanosine; NSC 71261; B-TGdR; 2'Deoxy-6-thioguanosine; beta-2'-Deoxythioguanosine; beta-2'-Deoxythiol guanosine; CCRIS 195; NSC71261; Thioguanine deoxyriboside (VAN); Thiodeoxyguanosine; HSDB 7074; beta-TGdR; 2-amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)-1,9-dihydro-6H-purine-6-thione; NCI-C01581; Thioguanine 9betaD-2'-deoxyriboside; BRN 1224220; 6-thio-dG;; A-TGdR; SCHEMBL531274; beta-Thioguanosine deoxyriboside; SCHEMBL9634767; CHEMBL3250476; DTXSID4021345; MFCD00672275; s7757; ZINC17969618; CCG-267279; Guanosine, 2'-deoxy-6-thio- (9CI); AC-32335; HY-18762; CS-0014289; 6-Thio-2 inverted exclamation marka-Deoxyguanosine; 2-Amino-9-(2-deoxy-.beta.-D-erythropentofuranosyl)-9H-purine-6(1H)-thione; 9H-Purine-6(1H)-thione, 2-amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)-; 2-Amino-9-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purine-6(9H)-thione; 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purine-6-thione; 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purine-6-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71261	.	.	.	.	283.31	C10H13N5O3S	150	420	-0.8	19	4	5	2	"InChI=1S/C10H13N5O3S/c11-10-13-8-7(9(19)14-10)12-3-15(8)6-1-4(17)5(2-16)18-6/h3-6,16-17H,1-2H2,(H3,11,13,14,19)/t4-,5+,6+/m0/s1"	C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=S)N)CO)O	SCVJRXQHFJXZFZ-KVQBGUIXSA-N
DG60958	6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide	3000671	"NSC336628; 6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide; UPDDI-00294859; CC-PMLSC-PW-kmcmerbarone; NCIMech_000589; MLS000541751; SCHEMBL5953740; CHEMBL1600807; SCHEMBL19236433; BDBM46106; cid_3000671; HMS2198P18; CCG-35687; CCG-36359; ZINC100473964; SB60231; NCGC00247369-01; NCI60_002957; SMR000472460; 5-Pyrimidinecarboxamide,6-dioxo-N-phenyl-2-thioxo-; 4,6-Dihydroxy-2-mercapto-N-phenylpyrimidine-5-carboxamide; 4,6-dihydroxy-N-phenyl-2-sulfanyl-pyrimidine-5-carboxamide; 6-hydroxy-4-keto-N-phenyl-2-thioxo-1H-pyrimidine-5-carboxamide; 1,2,3,4-tetrahydro-6-hydroxy-4-oxo-N-phenyl-2-thioxo-5-pyrimidinecarboxamide; 6-Hydroxy-4-oxo-N-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide #; 6-oxidanyl-4-oxidanylidene-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide; N-Phenyl-2-thioxo-4-oxo-6-hydroxy-1,2,3,4-tetrahydropyrimidine-5-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	336628	.	.	.	.	263.27	C11H9N3O3S	123	427	1.1	18	4	4	2	"InChI=1S/C11H9N3O3S/c15-8(12-6-4-2-1-3-5-6)7-9(16)13-11(18)14-10(7)17/h1-5H,(H,12,15)(H3,13,14,16,17,18)"	C1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2=O)O	GFYRZTLCYQQVHZ-UHFFFAOYSA-N
DG60959	"N-(3-acetylphenyl)-2-[2-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)hydrazino]-2-oxo-acetamide"	3000679	"NSC642049; CHEMBL1988400; ZINC16957769; NSC-642049; NCI60_014251; Acetamide,2,4-triazol-3-yl)hydrazino]-2-oxo-; N-(3-acetylphenyl)-2-[2-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)hydrazino]-2-oxo-acetamide; N-(3-Acetylphenyl)-2-[2-(4-amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)hydrazino]-2-oxoacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642049	.	.	.	.	335.34	C12H13N7O3S	173	565	0.6	23	5	6	4	"InChI=1S/C12H13N7O3S/c1-6(20)7-3-2-4-8(5-7)14-9(21)10(22)15-16-11-17-18-12(23)19(11)13/h2-5H,13H2,1H3,(H,14,21)(H,15,22)(H,16,17)(H,18,23)"	CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)NNC2=NNC(=S)N2N	QKGMMOVVQGSIGD-UHFFFAOYSA-N
DG60960	"2-[2-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)hydrazino]-2-oxo-N-(2,4,5-trichlorophenyl)acetamide"	3000683	"NSC644793; CHEMBL1966163; ZINC16957926; NSC-644793; NCI60_015204; 2-[2-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)hydrazino]-2-oxo-N-(2,4,5-trichlorophenyl)acetamide; 2-[2-(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)hydrazino]-2-oxo-N-(2,4,5-trichlorophenyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644793	.	.	.	.	396.6	C10H8Cl3N7O2S	156	549	2.8	23	5	5	3	"InChI=1S/C10H8Cl3N7O2S/c11-3-1-5(13)6(2-4(3)12)15-7(21)8(22)16-17-9-18-19-10(23)20(9)14/h1-2H,14H2,(H,15,21)(H,16,22)(H,17,18)(H,19,23)"	C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)C(=O)NNC2=NNC(=S)N2N	ZBZKEGGVPINDJB-UHFFFAOYSA-N
DG60961	N-(2-ethyl-6-isopropyl-phenyl)-N'-(4-oxo-2-thioxo-1H-quinazolin-3-yl)oxamide	3000688	"NSC648611; CHEMBL1999378; NSC-648611; NCI60_016892; N-(2-ethyl-6-isopropyl-phenyl)-N'-(4-oxo-2-thioxo-1H-quinazolin-3-yl)oxamide; N-(2-Ethyl-6-isopropylphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648611	.	.	.	.	410.5	C21H22N4O3S	123	668	3.9	29	3	4	3	"InChI=1S/C21H22N4O3S/c1-4-13-8-7-10-14(12(2)3)17(13)23-18(26)19(27)24-25-20(28)15-9-5-6-11-16(15)22-21(25)29/h5-12H,4H2,1-3H3,(H,22,29)(H,23,26)(H,24,27)"	CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)NN2C(=O)C3=CC=CC=C3NC2=S	QRSQLCPRXYQGAD-UHFFFAOYSA-N
DG60962	N'-(1-Isoquinolin-1-ylethyl)-4-pyridin-2-ylpiperazine-1-carbothiohydrazide	3000691	"NSC353896; MLS002701845; 87555-62-2; N'-(1-Isoquinolin-1-ylethyl)-4-pyridin-2-ylpiperazine-1-carbothiohydrazide; SMR001565437; NSC 353896; CHEMBL169811; BDBM80814; cid_3000691; NSC-353896; NCI60_003179; 1-Piperazinecarbothioic acid, 2-[1-(1-isoquinolinyl)ethyl]hydrazide; 1-[2-Pyridyl]piperazine-4-thiocarboxylic acid 2-[1-[1-isoquinolyl]; N''-[1-(1-isoquinolyl)ethyl]-4-(2-pyridyl)piperazine-1-carbothiohydrazide; N'-[1-(1-isoquinolyl)ethyl]-4-(2-pyridyl)piperazine-1-carbothiohydrazide; 1-[2-Pyridyl]piperazine-4-thiocarboxylic acid, 2-[1-[1-isoquinolyl]ethyl]hydrazide; 1-Piperazinecarbothioic acid, 4-(2-pyridinyl)-, 2-(1-(1-isiquinolinyl)ethyl)hydrazide; 1-Piperazinecarbothioic acid, 4-(2-pyridinyl)-, 2-(1-(1-isoquinolinyl)ethyl)hydrazide; N''-(1-isoquinolin-1-ylethyl)-4-pyridin-2-yl-piperazine-1-carbothiohydrazide; N''-(1-isoquinolin-1-ylethyl)-4-pyridin-2-ylpiperazine-1-carbothiohydrazide; N''-[1-(1-isoquinolinyl)ethyl]-4-(2-pyridinyl)-1-piperazinecarbothiohydrazide; N'-[1-(1-Isoquinolinyl)ethyl]-4-(2-pyridinyl)-1-piperazinecarbothiohydrazide #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353896	.	.	.	.	392.5	C21H24N6S	88.4	509	2.9	28	2	5	4	"InChI=1S/C21H24N6S/c1-16(20-18-7-3-2-6-17(18)9-11-23-20)24-25-21(28)27-14-12-26(13-15-27)19-8-4-5-10-22-19/h2-11,16,24H,12-15H2,1H3,(H,25,28)"	CC(C1=NC=CC2=CC=CC=C21)NNC(=S)N3CCN(CC3)C4=CC=CC=N4	KLYOLLLMOLFUSQ-UHFFFAOYSA-N
DG60963	"2-amino-4-(4-bromophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbothioamide"	3000695	"NSC666133; CHEMBL1964486; 2-amino-4-(4-bromophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbothioamide; NSC-666133; NCI60_022952; 2-Amino-4-(4-bromophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666133	.	.	.	.	429.3	C19H13BrN2O3S	120	697	3.5	26	2	5	2	"InChI=1S/C19H13BrN2O3S/c20-10-7-5-9(6-8-10)13-14-16(25-17(21)15(13)18(22)26)11-3-1-2-4-12(11)24-19(14)23/h1-8,13H,21H2,(H2,22,26)"	C1=CC=C2C(=C1)C3=C(C(C(=C(O3)N)C(=S)N)C4=CC=C(C=C4)Br)C(=O)O2	IJQQZLKNYUBSBS-UHFFFAOYSA-N
DG60964	Valinomycin	3000706	"valinomycin; 2001-95-8; Potassium ionophore I; valino; UNII-N561YS75MN; Valinomicin; CHEBI:28545; N561YS75MN; NSC122023; cyclo[-D-O-Val-D-Val-L-O-Ala-L-Val]3; Cyclic(D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl); (3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,6,9,15,18,21,27,30,33-nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone; Antibiotic N-329 B; Potassium ionophore I - cocktail B, Selectophore(TM); balinomycin; HSDB 6423; EINECS 217-896-6; BRN 0078657; 4-27-00-09728 (Beilstein Handbook Reference); CHEMBL223643; SCHEMBL21935101; HY-N6693; BDBM50237619; AKOS024457589; CCG-208283; DB14057; 1,7,13,19,25,31-Hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane- 2,5,8,11,14,17,20,23,26,29,32,35-dodecone, 12,24,36-trimetyl-3,6,9,15,18,21,27,30,33-nonakis(1-methylethyl)-; CS-0029275; Q417504; SR-05000002323; SR-05000002323-2; (3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,6,9,15,18,21,27,30,33-nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone; Cyclic(D-.alpha.-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-.alpha.-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-.alpha.-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl ); Cyclo(D- -hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D- -hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D- -hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	122023	.	.	.	.	1111.3	C54H90N6O18	332	1910	9.1	78	6	18	9	"InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m0/s1"	C[C@H]1C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O1)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C	FCFNRCROJUBPLU-DNDCDFAISA-N
DG60965	1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(4-fluorophenyl)thiourea	3000818	"NSC691523; CHEMBL1970919; NSC-691523; NCI60_032835; 1-[[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(4-fluorophenyl)thiourea; 2-{[(3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio]acetyl}-N-(4-fluorophenyl)hydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691523	.	.	.	.	431.5	C19H18FN5O2S2	143	655	3.1	29	3	6	5	"InChI=1S/C19H18FN5O2S2/c1-2-25-17(27)14-5-3-4-6-15(14)22-19(25)29-11-16(26)23-24-18(28)21-13-9-7-12(20)8-10-13/h3-10H,2,11H2,1H3,(H,23,26)(H2,21,24,28)"	CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=S)NC3=CC=C(C=C3)F	ASUVCVCDKFYQLY-UHFFFAOYSA-N
DG60966	"Benzoic acid, 2-chloro-5-(((3-methyl-2-thienyl)thioxomethyl)amino)-, 2-methyl-1-(1-methylethyl)propyl ester"	3000898	"NSC648360; 172998-60-6; Benzoic acid, 2-chloro-5-(((3-methyl-2-thienyl)thioxomethyl)amino)-, 2-methyl-1-(1-methylethyl)propyl ester; UC71; (1-isopropyl-2-methyl-propyl) 2-chloro-5-[(3-methylthiophene-2-carbothioyl)amino]benzoate; Benzoic acid, 2-chloro-5-[[(3-methyl-2-thienyl)thioxomethyl]amino]-, 2-methyl-1-(1-methylethyl)propyl ester; CHEMBL100555; DTXSID00169489; ZINC6491642; NSC-648360; NCI60_016775; Benzoic acid, 2,2-dimethyl-3-pentyl ester; 2-Chloro-5-{[1-(3-methyl-thiophen-2-yl)-methanethioyl]-amino}-benzoic acid, 1-isopropyl-2-methyl-propyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648360	.	.	.	.	410	C20H24ClNO2S2	98.7	492	6.9	26	1	4	7	"InChI=1S/C20H24ClNO2S2/c1-11(2)17(12(3)4)24-20(23)15-10-14(6-7-16(15)21)22-19(25)18-13(5)8-9-26-18/h6-12,17H,1-5H3,(H,22,25)"	CC1=C(SC=C1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC(C(C)C)C(C)C	QMPGAEJMXZSJEF-UHFFFAOYSA-N
DG60967	2-Methyl-furan-3-carbothioic acid [4-chloro-3-(3-methyl-but-2-enyloxy)-phenyl]-amide	3000926	"UC-781; UC 781; 178870-32-1; UC781; NSC 675186; UNII-L7K247H29H; 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE; CHEMBL54893; L7K247H29H; NSC675186; N-[4-Chloro-3-(3-methyl-2-butenyloxy)phenyl]-2-methyl-3-furancarbothioamide; N-(4-Chloro-3-((3-methylbut-2-en-1-yl)oxy)phenyl)-2-methylfuran-3-carbothioamide; Thiocarboxanilide; N-(4-chloro-3-(3-methylbut-2-enyloxy)phenyl)-2-methylfuran-3-carbothioamide; N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methyl-furan-3-carbothioamide; UC1; N-{4-CHLORO-3-[(3-METHYLBUT-2-EN-1-YL)OXY]PHENYL}-2-METHYLFURAN-3-CARBOTHIOAMIDE; Furancarbothioanilide deriv; N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylfuran-3-carbothioamide; SCHEMBL2670342; DTXSID10170581; GNA & UC-781; HHA & UC-781; ZINC6069063; BDBM50105629; DB05871; NSC-675186; N-(4-Chloro-3-((3-methyl-2-butenyl)oxy)phenyl)-2-methyl-3-furancarbothioamide; NCI60_026594; A857056; Q27096436; 3-Furancarbothioamide, N-(4-chloro-3-((3-methyl-2-buten-1-yl)oxy)phenyl)-2-methyl-; 3-Furancarbothioamide, N-(4-chloro-3-((3-methyl-2-butenyl)oxy)phenyl)-2-methyl-; N-{4-chloro-3-[(3-methylbut-2-enyl)oxy]phenyl}-2-methylfuran-3-carbothioamide; N-[4-Chloro-3-(3-methyl-2-butenyloxy)phenyl]-2-methyl-3-furancarbothioamide & Galanthus nivalis agglutinin (GNA); N-[4-Chloro-3-(3-methyl-2-butenyloxy)phenyl]-2-methyl-3-furancarbothioamide & Hippeastrum hybrid agglutinin( HHA)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675186	.	.	.	.	335.8	C17H18ClNO2S	66.5	412	4.9	22	1	3	5	"InChI=1S/C17H18ClNO2S/c1-11(2)6-8-21-16-10-13(4-5-15(16)18)19-17(22)14-7-9-20-12(14)3/h4-7,9-10H,8H2,1-3H3,(H,19,22)"	CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)OCC=C(C)C	YZHIXLCGPOTQNB-UHFFFAOYSA-N
DG60968	N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide	3000927	UC 82; UC-82; NSC675187; SCHEMBL599254; CHEMBL595002; UC82; ZINC6483683; NSC-675187; N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide; NCI60_026595; N-[4-chloro-3-(3-methyl-2-butenyloxy)phenyl]-2-methyl-3-thiophenecarbothioamide; N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methyl-thiophene-3-carbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675187	.	.	.	.	351.9	C17H18ClNOS2	81.6	412	5.5	22	1	3	5	"InChI=1S/C17H18ClNOS2/c1-11(2)6-8-20-16-10-13(4-5-15(16)18)19-17(21)14-7-9-22-12(14)3/h4-7,9-10H,8H2,1-3H3,(H,19,21)"	CC1=C(C=CS1)C(=S)NC2=CC(=C(C=C2)Cl)OCC=C(C)C	ORTIQSICVORWBJ-UHFFFAOYSA-N
DG60969	"Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, cyclopropylmethyl ester"	3000930	"UC70; UC-70; NSC638534; 173046-05-4; Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, cyclopropylmethyl ester; 2-Chloro-5-((1-(2-methyl-furan-3-yl)-methanethioyl)-amino)-benzoic acid, cyclopropylmethyl ester; 2-Chloro-5-{[1-(2-methyl-furan-3-yl)-methanethioyl]-amino}-benzoic acid, cyclopropylmethyl ester; Benzoic acid, 2-chloro-5-[[(2-methyl-3-furanyl)thioxomethyl]amino]-, cyclopropylmethyl ester; NSC 638534; CHEMBL421015; DTXSID00169505; ZINC6483673; cyclopropylmethyl 2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]benzoate; NSC-638534; NCI60_012893"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638534	.	.	.	.	349.8	C17H16ClNO3S	83.6	457	4	23	1	4	6	"InChI=1S/C17H16ClNO3S/c1-10-13(6-7-21-10)16(23)19-12-4-5-15(18)14(8-12)17(20)22-9-11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,19,23)"	CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OCC3CC3	JFOJNMXPPYADJW-UHFFFAOYSA-N
DG60970	"(5Z)-3-(dimethylaminomethyl)-5-[1-(dimethylaminomethyl)-2-oxo-indolin-3-ylidene]thiazolidine-2,4-dione"	3000988	"NSC363916; NSC-363916; 2,4-Thiazolidinedione der.; CHEMBL1973807; NCI363916; ZINC31771894; (5Z)-3-(dimethylaminomethyl)-5-[1-(dimethylaminomethyl)-2-oxo-indolin-3-ylidene]thiazolidine-2,4-dione; 2, 3-[(dimethylamino)methyl]-5-[1-[(dimethylamino)methyl]-1,2-dihydro-2-oxo-3H-indol-3-ylidene]-; 2,4-Thiazolidinedione, 3-[(dimethylamino)methyl]-5-[1-[(dimethylamino)methyl]-1,2-dihydro-2-oxo-3H-indol-3-ylidene]-, (5Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	363916	.	.	.	.	360.4	C17H20N4O3S	89.5	631	1.5	25	0	6	4	"InChI=1S/C17H20N4O3S/c1-18(2)9-20-12-8-6-5-7-11(12)13(15(20)22)14-16(23)21(10-19(3)4)17(24)25-14/h5-8H,9-10H2,1-4H3/b14-13-"	CN(C)CN1C2=CC=CC=C2/C(=C/3\\C(=O)N(C(=O)S3)CN(C)C)/C1=O	IHSVGUNOFKTLFA-YPKPFQOOSA-N
DG60971	"[(Z)-[4-(2,4-dichloroanilino)-2-oxo-1-naphthylidene]amino]thiourea"	3000994	"NSC657676; CHEMBL1988758; NSC-657676; NCI60_020061; [(Z)-[4-(2,4-dichloroanilino)-2-oxo-1-naphthylidene]amino]thiourea; (1Z)-4-[(2,4-Dichlorophenyl)amino]naphthalene-1,2-dione 1-thiosemicarbazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657676	.	.	.	.	391.3	C17H12Cl2N4OS	115	509	5.6	25	3	4	3	"InChI=1S/C17H12Cl2N4OS/c18-9-5-6-13(12(19)7-9)21-14-8-15(24)16(22-23-17(20)25)11-4-2-1-3-10(11)14/h1-8,21,24H,(H2,20,25)"	C1=CC=C2C(=C1)C(=CC(=C2N=NC(=S)N)O)NC3=C(C=C(C=C3)Cl)Cl	IHEGDXDRNFXKNE-UHFFFAOYSA-N
DG60972	methyl (E)-2-diethoxyphosphoryl-3-(pyridine-4-carbothioylamino)prop-2-enoate	3000995	"NSC658304; CHEMBL1989951; ZINC13000807; methyl (E)-2-diethoxyphosphoryl-3-(pyridine-4-carbothioylamino)prop-2-enoate; NSC-658304; 2-Propenoic acid, 2-(diethoxyphosphinyl)-3-[(4-pyridinylthioxomethyl)amino]-, methyl ester, (2E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658304	.	.	.	.	358.35	C14H19N2O5PS	119	482	1.3	23	1	7	9	"InChI=1S/C14H19N2O5PS/c1-4-20-22(18,21-5-2)12(14(17)19-3)10-16-13(23)11-6-8-15-9-7-11/h6-10H,4-5H2,1-3H3,(H,16,23)/b12-10+"	CCOP(=O)(/C(=C/NC(=S)C1=CC=NC=C1)/C(=O)OC)OCC	FVTWBGSNHOLSJD-ZRDIBKRKSA-N
DG60973	"(E)-3-chloro-2,3-bis(3,4-dimethoxyphenyl)prop-2-enal"	3001008	"NSC618121; MLS003373959; 2-Propenal der.; SCHEMBL9771782; (E)-3-chloro-2,3-bis(3,4-dimethoxyphenyl)prop-2-enal; CHEMBL1987551; ZINC1613545; NSC-618121; 2-Propenal,3-bis(3,4-dimethoxyphenyl)-; (E)-2,3-Bis(3,4-dimethoxyphenyl)-3-chloropropenal; .alpha.-Veratryl-.beta.-chloro-3,4-dimethoxycinnamaldehyde; Alpha.-Veratryl-.beta.-chloro-3,4-dimethoxy cinnamaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618121	.	.	.	.	362.8	C19H19ClO5	54	467	3.8	25	0	5	7	"InChI=1S/C19H19ClO5/c1-22-15-7-5-12(9-17(15)24-3)14(11-21)19(20)13-6-8-16(23-2)18(10-13)25-4/h5-11H,1-4H3/b19-14-"	COC1=C(C=C(C=C1)/C(=C(/C2=CC(=C(C=C2)OC)OC)\\Cl)/C=O)OC	WFAINMQUZRDRQU-RGEXLXHISA-N
DG60974	(1-Isopropyl-2-methyl-propyl) 5-(benzenecarbonothioylamino)-2-chloro-benzoate	3001012	"NSC641626; CHEMBL1998205; ZINC5715398; NSC-641626; NCI60_014094; (1-isopropyl-2-methyl-propyl) 5-(benzenecarbonothioylamino)-2-chloro-benzoate; Benzoic acid, 2-chloro-5-[(phenylthioxomethyl)amino]-, 2-methyl-1-(1-methylethyl)propyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641626	.	.	.	.	389.9	C21H24ClNO2S	70.4	469	6.6	26	1	3	7	"InChI=1S/C21H24ClNO2S/c1-13(2)19(14(3)4)25-21(24)17-12-16(10-11-18(17)22)23-20(26)15-8-6-5-7-9-15/h5-14,19H,1-4H3,(H,23,26)"	CC(C)C(C(C)C)OC(=O)C1=C(C=CC(=C1)NC(=S)C2=CC=CC=C2)Cl	RUBPYYAMNKUQEN-UHFFFAOYSA-N
DG60975	"2,3-Dihydro-2,4-bis(phenylthiocarbamoyl)-3-thioxo-6-[2-[(trifluoroacetyl)amino]phenyl]-1,2,4-triazin-5(4H)-one"	3001564	"NSC623093; NCIMech_000199; CHEMBL1995389; ZINC1617159; CCG-35454; NSC-623093; NCI60_006883; 2,2,2-trifluoro-N-[2-[5-oxo-2,4-bis(phenylcarbamothioyl)-3-thioxo-1,2,4-triazin-6-yl]phenyl]acetamide; 2,3-Dihydro-2,4-bis(phenylthiocarbamoyl)-3-thioxo-6-[2-[(trifluoroacetyl)amino]phenyl]-1,2,4-triazin-5(4H)-one; Acetamide, 2,2,2-trifluoro-N-[2-[2,3,4,5-tetrahydro-5-oxo-2,4-bis[(phenylamino)thioxomethyl]-3-thioxo-1,2,4-triazin-6-yl]phenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623093	.	.	.	.	586.6	C25H17F3N6O2S3	185	1010	5.5	39	3	9	4	"InChI=1S/C25H17F3N6O2S3/c26-25(27,28)21(36)31-18-14-8-7-13-17(18)19-20(35)33(22(37)29-15-9-3-1-4-10-15)24(39)34(32-19)23(38)30-16-11-5-2-6-12-16/h1-14H,(H,29,37)(H,30,38)(H,31,36)"	C1=CC=C(C=C1)NC(=S)N2C(=O)C(=NN(C2=S)C(=S)NC3=CC=CC=C3)C4=CC=CC=C4NC(=O)C(F)(F)F	XUXMPNJLGQRKNN-UHFFFAOYSA-N
DG60976	"(3Z)-6-methyl-3-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione"	3001572	"NSC657580; CHEMBL1999387; ZINC5733690; NSC-657580; (3Z)-6-methyl-3-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione; 2H-Pyran-2,4(3H)-dione, 3-[(2,3-dihydro-6-nitro-2-thioxo-1H-benzimidazol-1-yl)methylene]-6-methyl-, (3Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657580	.	.	.	.	331.31	C14H9N3O5S	137	666	1.4	23	1	6	1	"InChI=1S/C14H9N3O5S/c1-7-4-12(18)9(13(19)22-7)6-16-11-5-8(17(20)21)2-3-10(11)15-14(16)23/h2-6H,1H3,(H,15,23)/b9-6-"	CC1=CC(=O)/C(=C/N2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=S)/C(=O)O1	XDEVNFBVDHJJMS-TWGQIWQCSA-N
DG60977	"Spiro[1,2,4-triazinane-6,9'-fluorene]-3,5-dithione"	3001581	"NSC658717; spiro[1,2,4-triazinane-6,9'-fluorene]-3,5-dithione; CHEMBL2000623; ZINC16958389; NSC-658717; NCI60_020644; 1,6-Dihydro-3,5-dimercapto-6-spiro-(9'-fluorene)-1,2,4-triazine; Spiro[9H-fluorene-9,6'(1'H)-[1,2,4]triazine]-3',5'-dithiol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658717	.	.	.	.	297.4	C15H11N3S2	100	428	2.8	20	3	3	0	"InChI=1S/C15H11N3S2/c19-13-15(18-17-14(20)16-13)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8,18H,(H2,16,17,19,20)"	C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=S)NC(=S)NN4	BADBNPXFLFYHRK-UHFFFAOYSA-N
DG60978	(5Z)-3-(4-bromophenyl)-2-(2-chloro-5-nitro-phenyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one	3001637	"NSC643736; CHEMBL1984181; NSC-643736; (5Z)-3-(4-bromophenyl)-2-(2-chloro-5-nitro-phenyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one; 4H-Imidazol-4-one, 3-(4-bromophenyl)-2-(2-chloro-5-nitrophenyl)-3,5-dihydro-5-[1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]-, (5Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643736	.	.	.	.	564.8	C26H15BrClN3O5	105	1030	6.5	36	0	6	3	"InChI=1S/C26H15BrClN3O5/c1-14(19-12-15-4-2-3-5-22(15)36-26(19)33)23-25(32)30(17-8-6-16(27)7-9-17)24(29-23)20-13-18(31(34)35)10-11-21(20)28/h2-13H,1H3/b23-14-"	C/C(=C/1\\C(=O)N(C(=N1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)Br)/C4=CC5=CC=CC=C5OC4=O	AEBZTTXIXDKQIR-UCQKPKSFSA-N
DG60979	"1-[[2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]amino]-3-cyclohexyl-thiourea"	3001650	"NSC698983; CHEMBL1973716; BDBM50078891; NSC-698983; NCI60_035386; 1-[[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]amino]-3-cyclohexyl-thiourea; 6H-Indolo[2,3-b]quinoxaline-6-acetic acid, 9-bromo-, 2-[(cyclohexylamino)thioxomethyl]hydrazide; N'-[Cyclohexylamino(thiocarbonyl)]-9-bromo-6H-indolo[2,3-b]quinoxaline-6-acetic acid hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698983	.	.	.	.	511.4	C23H23BrN6OS	116	691	4.6	32	3	4	3	"InChI=1S/C23H23BrN6OS/c24-14-10-11-19-16(12-14)21-22(27-18-9-5-4-8-17(18)26-21)30(19)13-20(31)28-29-23(32)25-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13H2,(H,28,31)(H2,25,29,32)"	C1CCC(CC1)NC(=S)NNC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42	KEEJCPSNKPTIIZ-UHFFFAOYSA-N
DG60980	1-(4-Chloro-2-nitro-phenyl)-3-(2-methyl-4-oxo-quinazolin-3-yl)thiourea	3001685	NSC653939; 1-(4-chloro-2-nitro-phenyl)-3-(2-methyl-4-oxo-quinazolin-3-yl)thiourea; CHEMBL1970211; ZINC6494166; NSC-653939; NCI60_018784; 2-Methyl-3-[3-(2-nitro-4-chlorophenyl)thioureido]quinazolin-4(3H)-one; N-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-N'-(2-methyl-4-oxo-3(4H)-quinazolinyl)thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653939	.	.	.	.	389.8	C16H12ClN5O3S	135	626	3.4	26	2	5	1	"InChI=1S/C16H12ClN5O3S/c1-9-18-12-5-3-2-4-11(12)15(23)21(9)20-16(26)19-13-7-6-10(17)8-14(13)22(24)25/h2-8H,1H3,(H2,19,20,26)"	CC1=NC2=CC=CC=C2C(=O)N1NC(=S)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]	IGORMDMUCUBQLE-UHFFFAOYSA-N
DG60981	"1-[[5-(4-Chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-methyl-thiourea"	3001720	"NSC667706; CHEMBL1987215; NSC-667706; NCI60_023563; 1-[[5-(4-chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-methyl-thiourea; Hydrazinecarbothioamide, 2-[5-(4-chlorophenyl)-7-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667706	.	.	.	.	422.9	C21H19ClN6S	98.9	549	5.1	29	3	4	4	"InChI=1S/C21H19ClN6S/c1-13-3-9-16(10-4-13)28-11-17(14-5-7-15(22)8-6-14)18-19(24-12-25-20(18)28)26-27-21(29)23-2/h3-12H,1-2H3,(H2,23,27,29)(H,24,25,26)"	CC1=CC=C(C=C1)N2C=C(C3=C(N=CN=C32)NNC(=S)NC)C4=CC=C(C=C4)Cl	DJIKSNHKQYWDTR-UHFFFAOYSA-N
DG60982	"1-Benzyl-3-[[5-(4-chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]thiourea"	3001721	"NSC667707; CHEMBL1992533; ZINC1642614; NSC-667707; NCI60_023564; 1-benzyl-3-[[5-(4-chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]thiourea; Hydrazinecarbothioamide, 2-[5-(4-chlorophenyl)-7-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-(phenylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667707	.	.	.	.	499	C27H23ClN6S	98.9	675	6.6	35	3	4	6	"InChI=1S/C27H23ClN6S/c1-18-7-13-22(14-8-18)34-16-23(20-9-11-21(28)12-10-20)24-25(30-17-31-26(24)34)32-33-27(35)29-15-19-5-3-2-4-6-19/h2-14,16-17H,15H2,1H3,(H2,29,33,35)(H,30,31,32)"	CC1=CC=C(C=C1)N2C=C(C3=C(N=CN=C32)NNC(=S)NCC4=CC=CC=C4)C5=CC=C(C=C5)Cl	ZTVMUOPEACFMIT-UHFFFAOYSA-N
DG60983	1-Amino-5-sulfanyl-triazole-4-carbohydrazide	3001883	"NSC684033; CHEMBL2004722; ZINC5823098; NSC-684033; NCI60_030202; 1-amino-5-sulfanyl-triazole-4-carbohydrazide; 1H-1,2,3-Triazole-4-carboxylic acid, 1-amino-5-mercapto-, hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684033	.	.	.	.	174.19	C3H6N6OS	141	236	-1.2	11	4	6	1	"InChI=1S/C3H6N6OS/c4-6-2(10)1-3(11)9(5)8-7-1/h8H,4-5H2,(H,6,10)"	C1(=NNN(C1=S)N)C(=O)NN	AOOGNPNALRRUEW-UHFFFAOYSA-N
DG60984	"Piperazine-1,4-dicarbothiohydrazide"	3001885	"NSC689543; piperazine-1,4-dicarbothiohydrazide; 1,4-Piperazinedicarbothioic acid, dihydrazide; CHEMBL1969632; DTXSID10388225; NSC-689543; 60768-84-5; NCI60_032224"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689543	.	.	.	.	234.4	C6H14N6S2	147	200	-1.6	14	4	4	0	"InChI=1S/C6H14N6S2/c7-9-5(13)11-1-2-12(4-3-11)6(14)10-8/h1-4,7-8H2,(H,9,13)(H,10,14)"	C1CN(CCN1C(=S)NN)C(=S)NN	GISXBSSCHFURCK-UHFFFAOYSA-N
DG60985	1-(2-Methoxyphenyl)-3-(6-methyl-2-pyridyl)thiourea	3001925	"NSC695055; CHEMBL1981603; AKOS003721553; NSC-695055; NCI60_034030; 1-(2-methoxyphenyl)-3-(6-methyl-2-pyridyl)thiourea; Thiourea, N-(2-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695055	.	.	.	.	273.36	C14H15N3OS	78.3	300	2.7	19	2	3	3	"InChI=1S/C14H15N3OS/c1-10-6-5-9-13(15-10)17-14(19)16-11-7-3-4-8-12(11)18-2/h3-9H,1-2H3,(H2,15,16,17,19)"	CC1=NC(=CC=C1)NC(=S)NC2=CC=CC=C2OC	FWWXHDXTNPJKNG-UHFFFAOYSA-N
DG60986	NSC642704	3002251	(2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-2-oxo-1-[2-(p-tolyl)ethylcarbamothioylsulfanylmethyl]ethyl]amino]-5-oxo-pentanoic acid; NSC642704; S-N-(Phenethylthiocarbamoyl)-L-glutathione; (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-2-oxo-1-[2-(p-tolyl)ethylcarbamothioylsulfanylmethyl]ethyl]amino]-5-oxo-pentanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642704	.	.	.	.	484.6	C20H28N4O6S2	228	671	-1.6	32	6	9	14	"InChI=1S/C20H28N4O6S2/c1-12-2-4-13(5-3-12)8-9-22-20(31)32-11-15(18(28)23-10-17(26)27)24-16(25)7-6-14(21)19(29)30/h2-5,14-15H,6-11,21H2,1H3,(H,22,31)(H,23,28)(H,24,25)(H,26,27)(H,29,30)/t14-,15-/m0/s1"	CC1=CC=C(C=C1)CCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	BFMSDLIJECEVBE-GJZGRUSLSA-N
DG60987	N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(4-oxo-2-sulfanyl-quinazolin-3-yl)oxamide	3003533	"NSC648618; CHEMBL1990538; NSC-648618; NCI60_016899; N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(4-oxo-2-sulfanyl-quinazolin-3-yl)oxamide; Ethanediamide, N1-[4-chloro-2-(trifluoromethyl)phenyl]-N2-(2-mercapto-4-oxo-3(4H)-quinazolinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648618	.	.	.	.	442.8	C17H10ClF3N4O3S	123	708	3.5	29	3	7	1	"InChI=1S/C17H10ClF3N4O3S/c18-8-5-6-12(10(7-8)17(19,20)21)22-13(26)14(27)24-25-15(28)9-3-1-2-4-11(9)23-16(25)29/h1-7H,(H,22,26)(H,23,29)(H,24,27)"	C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F	JYUCHGILZFOTDM-UHFFFAOYSA-N
DG60988	"5-(4-Chloro-phenyl)-2,8-dimercapto-5H-pyrano[2,3-d"	3003719	"NSC705850; CHEMBL1973920; STK533980; ZINC13799321; AKOS001015969; AKOS005465872; MCULE-7939952677; NSC-705850; NCI60_037696; 4-(4-chlorophenyl)-2,2-bis(sulfanyl)[ ]-4,4-diol; 5-(4-Chloro-phenyl)-2,8-dimercapto-5H-pyrano[2,3-d; 5-(4-chlorophenyl)-2,8-disulfanyl-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705850	.	.	.	.	392.8	C15H9ClN4O3S2	156	719	1.4	25	4	5	1	"InChI=1S/C15H9ClN4O3S2/c16-6-3-1-5(2-4-6)7-8-10(21)17-14(24)19-12(8)23-13-9(7)11(22)18-15(25)20-13/h1-4,7H,(H2,17,19,21,24)(H2,18,20,22,25)"	C1=CC(=CC=C1C2C3=C(NC(=S)NC3=O)OC4=C2C(=O)NC(=S)N4)Cl	PTXJSSLSLXBAEJ-UHFFFAOYSA-N
DG60989	Unii-G3GZ237put	3003794	"NSC73306; UNII-G3GZ237PUT; G3GZ237PUT; 79560-74-0; NCIMech_000014; NCIOpen2_008732; SCHEMBL469855; SCHEMBL14075836; DTXSID70417681; NSC73304; ZINC5639910; CCG-35327; NSC-73304; AKOS000963121; NCI60_041604; 5,7-Dichloro-1H-indole-2,3-dione 3-(N-(4-methoxyphenyl)thiosemicarbazone); 1-[(Z)-(5,7-dichloro-2-oxo-indolin-3-ylidene)amino]-3-(4-methoxyphenyl)thiourea; 2-(5,7-Dichloro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-N-(4-methoxyphenyl)hydrazinecarbothioamide; 874650-89-2; Hydrazinecarbothioamide, 2-(5,7-dichloro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-N-(4-methoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73306	.	.	.	.	395.3	C16H12Cl2N4O2S	114	505	5.2	25	3	4	3	"InChI=1S/C16H12Cl2N4O2S/c1-24-10-4-2-9(3-5-10)19-16(25)22-21-14-11-6-8(17)7-12(18)13(11)20-15(14)23/h2-7,20,23H,1H3,(H,19,25)"	COC1=CC=C(C=C1)NC(=S)N=NC2=C(NC3=C2C=C(C=C3Cl)Cl)O	OJWGVIBWNCMAEK-UHFFFAOYSA-N
DG60990	"Acetic acid, 2,2'-(1,2,4-trithiolane-3,5-diylidene)bis(cyano-, diethyl ester, (2Z,2'Z)-"	3003822	"NSC98363; MLS000737198; 2631-93-8; Acetic acid, 2,2'-(1,2,4-trithiolane-3,5-diylidene)bis(cyano-, diethyl ester, (2Z,2'Z)-; Acetic acid, 2,2'-(1,2,4-trithiolane-3,5-diylidene)bis[cyano-, diethyl ester, (2Z,2'Z)-; NSC 98363; CHEMBL1525815; SCHEMBL21946009; NSC-98363; ZINC13152631; AKOS024333721; NCGC00246909-01; SMR000528459; (2Z,2'Z)-DIETHYL 2,2'-(1,2,4-TRITHIOLANE-3,5-DIYLIDENE)BIS(2-CYANOACETATE); ethyl (2Z)-2-cyano-2-[(5Z)-5-(1-cyano-2-ethoxy-2-oxo-ethylidene)-1,2,4-trithiolan-3-ylidene]acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98363	.	.	.	.	342.4	C12H10N2O4S3	176	567	2.1	21	0	9	6	"InChI=1S/C12H10N2O4S3/c1-3-17-9(15)7(5-13)11-19-12(21-20-11)8(6-14)10(16)18-4-2/h3-4H2,1-2H3/b11-7-,12-8-"	CCOC(=O)/C(=C/1\\SS/C(=C(\\C(=O)OCC)/C#N)/S1)/C#N	BJEFMLAPLDTDNB-OXAWKVHCSA-N
DG60991	"1H,5H-[1,2,4]Triazolo[1,2-a][1,2,4]triazole-1,5-dithione, tetrahydro-3,7-bis(4-methylphenyl)-"	3003864	"NSC174923; MLS003106830; CHEMBL2357906; STL045152; AKOS005698254; AKOS032425482; MCULE-8347032832; NSC-174923; SMR001821716; 1,5-bis(4-methylphenyl)-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithiol; 1H,2,4]Triazolo[1,2-a][1,2,4]triazole-1,5-dithione, tetrahydro-3,7-bis(4-methylphenyl)-; {1H,5H-[1,2,4]Triazolo[1,2-a][1,2,4]triazole-1,5-dithione,} tetrahydro-3,7-bis(4-methylphenyl)-; 1,5-bis(p-tolyl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione; 1H,5H-[1,2,4]Triazolo[1,2-a][1,2,4]triazole-1,5-dithione, tetrahydro-3,7-bis(4-methylphenyl)-; 3,7-Bis(4-methylphenyl)tetrahydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dithione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174923	.	.	.	.	354.5	C18H18N4S2	94.7	463	3.8	24	2	2	2	"InChI=1S/C18H18N4S2/c1-11-3-7-13(8-4-11)15-19-17(23)22-16(20-18(24)21(15)22)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,19,23)(H,20,24)"	CC1=CC=C(C=C1)C2NC(=S)N3N2C(=S)NC3C4=CC=C(C=C4)C	IHMQGSNZMQUJGZ-UHFFFAOYSA-N
DG60992	"4-Mercapto-6-((2,3,4,5,6-pentachlorobenzyl)thio)-1,3,5-triazin-2-ol"	3003880	"NSC209931; NSC-209931; 4-Mercapto-6-((2,3,4,5,6-pentachlorobenzyl)thio)-1,3,5-triazin-2-ol; NCIStruc1_001640; NCIStruc2_001892; CHEMBL472656; ZINC8034228; CCG-37833; NCGC00014578; NCI209931; NCGC00014578-02; NCGC00097682-01; NCI60_001760; 4-[(2,3,4,5,6-pentachlorophenyl)methylsulfanyl]-6-sulfanyl-1,3,5-triazin-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	209931	.	.	.	.	423.6	C10H4Cl5N3OS2	111	464	5.3	21	2	3	3	"InChI=1S/C10H4Cl5N3OS2/c11-3-2(4(12)6(14)7(15)5(3)13)1-21-10-17-8(19)16-9(20)18-10/h1H2,(H2,16,17,18,19,20)"	C(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)SC2=NC(=S)NC(=O)N2	RGHGLIUDJMATHB-UHFFFAOYSA-N
DG60993	"1-(2-fluorophenyl)-3-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea"	3003893	"MLS000756518; NSC213989; SMR000528774; CHEMBL1447210; HMS2880O07; ZINC6513918; NSC-213989; SR-01000772902; SR-01000772902-2; 1-(2-fluorophenyl)-3-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea; N-(2-Fluorophenyl)-N'-(2-thioxo-2,3-dihydro-1,3-benzothiazol-6-yl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	213989	.	.	.	.	319.4	C14H10FN3OS2	111	423	2.9	21	3	4	2	"InChI=1S/C14H10FN3OS2/c15-9-3-1-2-4-10(9)17-13(19)16-8-5-6-11-12(7-8)21-14(20)18-11/h1-7H,(H,18,20)(H2,16,17,19)"	C1=CC=C(C(=C1)NC(=O)NC2=CC3=C(C=C2)NC(=S)S3)F	XXZCEVYIMOVDGT-UHFFFAOYSA-N
DG60994	N'-(1-(1-Hydroxy-1lambda(5)-pyridin-2-yl)ethyl)-4-(2-pyridinyl)-1-piperazinecarbothiohydrazide	3003953	NSC352741; 87587-20-0; NSC 352741; CHEMBL174249; NSC-352741; N'-(1-(1-Hydroxy-1lambda(5)-pyridin-2-yl)ethyl)-4-(2-pyridinyl)-1-piperazinecarbothiohydrazide; NCI60_003156; N'-[1-(1-oxidopyridin-1-ium-2-yl)ethyl]-4-(2-pyridyl)piperazine-1-carbothiohydrazide; N'-(1-(1-Hydroxy-1.lambda.~5~-pyridin-2-yl)ethyl)-4-(2-pyridinyl)-1-piperazinecarbothiohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	352741	.	.	.	.	358.5	C17H22N6OS	101	431	1.2	25	2	5	4	"InChI=1S/C17H22N6OS/c1-14(15-6-3-5-9-23(15)24)19-20-17(25)22-12-10-21(11-13-22)16-7-2-4-8-18-16/h2-9,14,19H,10-13H2,1H3,(H,20,25)"	CC(C1=CC=CC=[N+]1[O-])NNC(=S)N2CCN(CC2)C3=CC=CC=N3	IUXZGDMEPCDYEL-UHFFFAOYSA-N
DG60995	"6-(4-azido-2-nitro-anilino)-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexanamide"	3003993	"NSC618048; CHEMBL2000080; NSC-618048; NCI60_005411; 6-(2-(Hydroxy(oxido)amino)-4-(2.lambda.~5~-1,2-triazadienyl)anilino)-N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)hexanamide; 6-(4-azido-2-nitro-anilino)-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618048	.	.	.	.	632.7	C32H36N6O8	155	1240	5	46	2	11	13	"InChI=1S/C32H36N6O8/c1-43-27-14-11-21-22(18-26(27)39)23(12-9-19-16-28(44-2)31(45-3)32(46-4)30(19)21)35-29(40)8-6-5-7-15-34-24-13-10-20(36-37-33)17-25(24)38(41)42/h10-11,13-14,16-18,23,34H,5-9,12,15H2,1-4H3,(H,35,40)"	COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)CCCCCNC4=C(C=C(C=C4)N=[N+]=[N-])[N+](=O)[O-]	QKEPLNZFLNFEEH-UHFFFAOYSA-N
DG60996	"4-azido-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide"	3003994	"NSC618049; CHEMBL1976480; NSC-618049; 4-azido-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide; NCI60_005412; N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)-4-(2.lambda.~5~-1,2-triazadienyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618049	.	.	.	.	502.5	C27H26N4O6	97.4	1010	3.6	37	1	8	7	"InChI=1S/C27H26N4O6/c1-34-22-12-10-18-19(14-21(22)32)20(29-27(33)15-5-8-17(9-6-15)30-31-28)11-7-16-13-23(35-2)25(36-3)26(37-4)24(16)18/h5-6,8-10,12-14,20H,7,11H2,1-4H3,(H,29,33)"	COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC=C(C=C4)N=[N+]=[N-]	QEONJRFORSTWFH-UHFFFAOYSA-N
DG60997	"2,3-Dichloro-4-(3-chloro-2-methylanilino)-4-oxo-2-butenoic acid"	3003998	"NSC622344; CHEMBL1976381; ZINC1616803; NSC-622344; 2,3-Dichloro-4-(3-chloro-2-methylanilino)-4-oxo-2-butenoic acid; (E)-2,3-dichloro-4-(3-chloro-2-methyl-anilino)-4-oxo-but-2-enoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622344	.	.	.	.	308.5	C11H8Cl3NO3	66.4	384	3.3	18	2	3	3	"InChI=1S/C11H8Cl3NO3/c1-5-6(12)3-2-4-7(5)15-10(16)8(13)9(14)11(17)18/h2-4H,1H3,(H,15,16)(H,17,18)/b9-8+"	CC1=C(C=CC=C1Cl)NC(=O)/C(=C(/C(=O)O)\\Cl)/Cl	WVGBXGFPZAZJEF-CMDGGOBGSA-N
DG60998	"2,3-Dichloro-4-oxo-4-(4-toluidino)-2-butenoic acid"	3004002	"NSC622378; 2,3-Dichloro-4-oxo-4-(4-toluidino)-2-butenoic acid; (E)-2,3-dichloro-4-(4-methylanilino)-4-oxo-but-2-enoic acid; 2-Butenoic acid, {2,3-dichloro-4-[(4-methylphenyl)amino]-} 4-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622378	.	.	.	.	274.1	C11H9Cl2NO3	66.4	347	2.9	17	2	3	3	"InChI=1S/C11H9Cl2NO3/c1-6-2-4-7(5-3-6)14-10(15)8(12)9(13)11(16)17/h2-5H,1H3,(H,14,15)(H,16,17)/b9-8+"	CC1=CC=C(C=C1)NC(=O)/C(=C(/C(=O)O)\\Cl)/Cl	LYXYEAXSHFSVNI-CMDGGOBGSA-N
DG60999	"1,1-Dimethyl-5-(2-naphthalenyl)dithiobiuret"	3004012	"NSC622596; MLS002701782; 1,1-Dimethyl-5-(2-naphthalenyl)dithiobiuret; CHEMBL1708615; ZINC6371795; NSC-622596; NCI60_006638; SMR001565376; 1,1-dimethyl-3-(2-naphthylcarbamothioyl)thiourea; N,N-Dimethyl-N'-(2-naphthyl)dicarbonodithioimidic diamide; Thioimidodicarbonic diamide,N-dimethyl-N'-(2-naphthalenyl)-; Thioimidodicarbonic diamide, N,N-dimethyl-N'-(2-naphthalenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622596	.	.	.	.	289.4	C14H15N3S2	91.5	344	3.2	19	2	2	1	"InChI=1S/C14H15N3S2/c1-17(2)14(19)16-13(18)15-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3,(H2,15,16,18,19)"	CN(C)C(=S)NC(=S)NC1=CC2=CC=CC=C2C=C1	VKRQERUBXPLFCD-UHFFFAOYSA-N
DG61000	"1,1,5,5-Tetramethyl-2-thiobiuret"	3004018	"NSC622657; 1,1,5,5-Tetramethyl-2-thiobiuret; N,N,N',N'-Tetramethyldicarbonimidothioic diamide; 36339-97-6; 1,1,5,5-Tetramethylthiobiuret; CHEMBL1971905; ZINC6371798; NSC-622657; NCI60_006698; 3-(dimethylcarbamothioyl)-1,1-dimethyl-urea; imidothiodicarbonic diamide, N,N,N',N'-tetramethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622657	.	.	.	.	175.25	C6H13N3OS	67.7	167	-0.1	11	1	2	0	"InChI=1S/C6H13N3OS/c1-8(2)5(10)7-6(11)9(3)4/h1-4H3,(H,7,10,11)"	CN(C)C(=O)NC(=S)N(C)C	QDQACASBAIWXJJ-UHFFFAOYSA-N
DG61001	"1,1,5-Trimethyl-dithiobiuret"	3004022	"NSC622693; 1,1,5-trimethyl-dithiobiuret; 33885-76-6; 1,1-dimethyl-3-(methylcarbamothioyl)thiourea; SCHEMBL728475; CHEMBL2004389; ZINC5566401; NSC-622693; NCI60_006733; N,N,N'-Trimethyldicarbonodithioimidic diamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622693	.	.	.	.	177.3	C5H11N3S2	91.5	144	0.4	10	2	2	0	"InChI=1S/C5H11N3S2/c1-6-4(9)7-5(10)8(2)3/h1-3H3,(H2,6,7,9,10)"	CNC(=S)NC(=S)N(C)C	ZFNHECIXLFHBIG-UHFFFAOYSA-N
DG61002	"Methyl 3-amino-4,4,4-trichloro-2-cyano-2-butenoate"	3004059	"NSC625020; CHEMBL1989036; SCHEMBL22768637; NSC-625020; Methyl 3-amino-4,4,4-trichloro-2-cyano-2-butenoate; methyl (Z)-3-amino-4,4,4-trichloro-2-cyano-but-2-enoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625020	.	.	.	.	243.5	C6H5Cl3N2O2	76.1	297	1.8	13	1	4	2	"InChI=1S/C6H5Cl3N2O2/c1-13-5(12)3(2-10)4(11)6(7,8)9/h11H2,1H3/b4-3-"	COC(=O)/C(=C(/C(Cl)(Cl)Cl)\\N)/C#N	HTKQPJJUFCSKJD-ARJAWSKDSA-N
DG61003	"N-(3,4-dichlorophenyl)-3-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)propanamide"	3004072	"NSC625823; CHEMBL2006448; NSC-625823; NCI60_008108; N-(3,4-dichlorophenyl)-3-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)propanamide; N-(3,4-Dichlorophenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625823	.	.	.	.	317.2	C11H10Cl2N4OS	97.6	404	1.8	19	3	2	4	"InChI=1S/C11H10Cl2N4OS/c12-7-2-1-6(5-8(7)13)14-10(18)4-3-9-15-11(19)17-16-9/h1-2,5H,3-4H2,(H,14,18)(H2,15,16,17,19)"	C1=CC(=C(C=C1NC(=O)CCC2=NC(=S)NN2)Cl)Cl	WXDTZEALPYXLIP-UHFFFAOYSA-N
DG61004	1-Acridin-9-yl-3-[6-(acridin-9-ylcarbamothioylamino)hexyl]thiourea	3004086	"NSC626151; CHEMBL1998636; ZINC5615927; 1-acridin-9-yl-3-[6-(acridin-9-ylcarbamothioylamino)hexyl]thiourea; NSC-626151; NCI60_008269; Thiourea, N',N'''-1,6-hexanediylbis[N-9-acridinyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626151	.	.	.	.	588.8	C34H32N6S2	138	772	7.5	42	4	4	9	"InChI=1S/C34H32N6S2/c41-33(39-31-23-13-3-7-17-27(23)37-28-18-8-4-14-24(28)31)35-21-11-1-2-12-22-36-34(42)40-32-25-15-5-9-19-29(25)38-30-20-10-6-16-26(30)32/h3-10,13-20H,1-2,11-12,21-22H2,(H2,35,37,39,41)(H2,36,38,40,42)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(=S)NCCCCCCNC(=S)NC4=C5C=CC=CC5=NC6=CC=CC=C64	AENUNLQZPTXCFH-UHFFFAOYSA-N
DG61005	"ethyl 4-[(4Z)-4-(methoxymethylene)-1,3-dioxo-2-isoquinolyl]benzoate"	3004090	"NSC627268; CHEMBL2002309; NSC-627268; ethyl 4-[(4Z)-4-(methoxymethylene)-1,3-dioxo-2-isoquinolyl]benzoate; Ethyl 4-(4-(methoxymethylene)-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627268	.	.	.	.	351.4	C20H17NO5	72.9	591	2.9	26	0	5	5	"InChI=1S/C20H17NO5/c1-3-26-20(24)13-8-10-14(11-9-13)21-18(22)16-7-5-4-6-15(16)17(12-25-2)19(21)23/h4-12H,3H2,1-2H3/b17-12-"	CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3/C(=C/OC)/C2=O	VYGSERHEQLZFSX-ATVHPVEESA-N
DG61006	O-methyl (decylamino)methanethioate	3004095	O-methyl (decylamino)methanethioate; NSC627359; 92412-31-2; O-methyl N-decylcarbamothioate; O-Methyl decylthiocarbamate; CHEMBL1980702; DTXSID10238998; NSC-627359; NCI60_008680	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627359	.	.	.	.	231.4	C12H25NOS	53.4	151	5	15	1	2	10	"InChI=1S/C12H25NOS/c1-3-4-5-6-7-8-9-10-11-13-12(15)14-2/h3-11H2,1-2H3,(H,13,15)"	CCCCCCCCCCNC(=S)OC	YLYFDVNILXLQQD-UHFFFAOYSA-N
DG61007	"3-Chloro-3-(3,4-dimethoxyphenyl)-2-phenylacrylaldehyde"	3004103	"NSC627593; CHEMBL1995141; ZINC1619581; NSC-627593; 3-Chloro-3-(3,4-dimethoxyphenyl)-2-phenylacrylaldehyde; (E)-3-chloro-3-(3,4-dimethoxyphenyl)-2-phenyl-prop-2-enal"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627593	.	.	.	.	302.7	C17H15ClO3	35.5	374	3.8	21	0	3	5	"InChI=1S/C17H15ClO3/c1-20-15-9-8-13(10-16(15)21-2)17(18)14(11-19)12-6-4-3-5-7-12/h3-11H,1-2H3/b17-14-"	COC1=C(C=C(C=C1)/C(=C(\\C=O)/C2=CC=CC=C2)/Cl)OC	JYUILEZKWSVWEJ-VKAVYKQESA-N
DG61008	"6-Benzyl-1,2,4-triazine-3,5-dithiol"	3004106	"NSC628343; CHEMBL1968132; ZINC6575289; NSC-628343; 6-Benzyl-1,2,4-triazine-3,5-dithiol; NCI60_009137; 1,4-Triazine-3,5(2H,4H) dithione, 6-benzyl-; 1,2,4-Triazine-3,5(2H,4H) dithione, 6-benzyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628343	.	.	.	.	235.3	C10H9N3S2	101	306	1.9	15	2	3	2	"InChI=1S/C10H9N3S2/c14-9-8(12-13-10(15)11-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13,14,15)"	C1=CC=C(C=C1)CC2=NNC(=S)NC2=S	LJIJCOCWWHDFLK-UHFFFAOYSA-N
DG61009	3-[(4-Nitrophenyl)carbamothioylsulfanyl]propanoic acid	3004113	NSC629286; 3-[(4-nitrophenyl)carbamothioylsulfanyl]propanoic acid; CHEMBL1994381; NSC-629286; NCI60_009492; 3-[N-(4-Nitrophenyldithiocarbamoyl)]-propanoic acid; {3-[N-(4-Nitrophenyldithiocarbamoyl)]-propanoic} acid; 3-(((4-(Hydroxy(oxido)amino)anilino)carbothioyl)thio)propanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629286	.	.	.	.	286.3	C10H10N2O4S2	153	324	2	18	2	6	5	"InChI=1S/C10H10N2O4S2/c13-9(14)5-6-18-10(17)11-7-1-3-8(4-2-7)12(15)16/h1-4H,5-6H2,(H,11,17)(H,13,14)"	C1=CC(=CC=C1NC(=S)SCCC(=O)O)[N+](=O)[O-]	YGHYFASWXGQOMN-UHFFFAOYSA-N
DG61010	2-[(3-Fluorophenyl)carbamothioylsulfanyl]propanoic acid	3004115	NSC629298; 2-[(3-fluorophenyl)carbamothioylsulfanyl]propanoic acid; CHEMBL1986911; NSC-629298; NCI60_009503; 2-(((3-Fluoroanilino)carbothioyl)thio)propanoic acid; 2-[N-(3-Fluorophenyldithiocarbamoyl)]-propanoic acid; {2-[N-(3-Fluorophenyldithiocarbamoyl)]-propanoic} acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629298	.	.	.	.	259.3	C10H10FNO2S2	107	276	2.7	16	2	5	4	"InChI=1S/C10H10FNO2S2/c1-6(9(13)14)16-10(15)12-8-4-2-3-7(11)5-8/h2-6H,1H3,(H,12,15)(H,13,14)"	CC(C(=O)O)SC(=S)NC1=CC(=CC=C1)F	YZVPUJSZOQRGAV-UHFFFAOYSA-N
DG61011	"6-amino-N,5-bis(o-tolyl)-2-sulfanyl-pyrimidine-4-carboxamide"	3004145	"NSC631851; CHEMBL1987783; ZINC644776; NSC-631851; NCI60_010471; 6-amino-N,5-bis(o-tolyl)-2-sulfanyl-pyrimidine-4-carboxamide; 6-Amino-2-mercapto-N,5-bis(2-methylphenyl)-4-pyrimidinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631851	.	.	.	.	350.4	C19H18N4OS	112	613	2.7	25	3	2	3	"InChI=1S/C19H18N4OS/c1-11-7-3-5-9-13(11)15-16(22-19(25)23-17(15)20)18(24)21-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H,21,24)(H3,20,22,23,25)"	CC1=CC=CC=C1C2=C(NC(=S)N=C2N)C(=O)NC3=CC=CC=C3C	PRVJTEBVNBFCRL-UHFFFAOYSA-N
DG61012	"trans-1,2-Bis(isobutylsulphonyl)-1,2-bis(4'-bromophenyl) ethylene"	3004162	"NSC633605; trans-1,2-Bis(isobutylsulphonyl)-1,2-bis(4'-bromophenyl) ethylene; 1-Bromo-4-(2-(4-bromophenyl)-1,2-bis(isobutylsulfonyl)vinyl)benzene; 1-bromo-4-[(Z)-2-(4-bromophenyl)-1,2-bis(isobutylsulfonyl)vinyl]benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633605	.	.	.	.	578.4	C22H26Br2O4S2	85	721	6.3	30	0	4	8	"InChI=1S/C22H26Br2O4S2/c1-15(2)13-29(25,26)21(17-5-9-19(23)10-6-17)22(30(27,28)14-16(3)4)18-7-11-20(24)12-8-18/h5-12,15-16H,13-14H2,1-4H3/b22-21-"	CC(C)CS(=O)(=O)/C(=C(/C1=CC=C(C=C1)Br)\\S(=O)(=O)CC(C)C)/C2=CC=C(C=C2)Br	ONQHMWHNFSNWMO-DQRAZIAOSA-N
DG61013	"4-(2-(Aminocarbonyl)hydrazino)-2,3-dichloro-2-butenoic acid"	3004169	"NSC634494; CHEMBL1983850; ZINC1624010; NSC-634494; (E)-4-(2-carbamoylhydrazino)-2,3-dichloro-but-2-enoic acid; 4-(2-(Aminocarbonyl)hydrazino)-2,3-dichloro-2-butenoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634494	.	.	.	.	228.03	C5H7Cl2N3O3	104	253	-2.5	13	4	4	4	"InChI=1S/C5H7Cl2N3O3/c6-2(3(7)4(11)12)1-9-10-5(8)13/h9H,1H2,(H,11,12)(H3,8,10,13)/b3-2+"	C(/C(=C(/C(=O)O)\\Cl)/Cl)NNC(=O)N	MVHCEQZFPSRLLL-NSCUHMNNSA-N
DG61014	Methyl 5-hexadecyl-6-hydroxy-2-mercapto-4-pyrimidinecarboxylate	3004177	NSC635124; CHEMBL1973671; ZINC73293310; NSC-635124; NCI60_011670; Methyl 5-hexadecyl-6-hydroxy-2-mercapto-4-pyrimidinecarboxylate; methyl 5-hexadecyl-6-hydroxy-2-sulfanyl-pyrimidine-4-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635124	.	.	.	.	410.6	C22H38N2O3S	99.5	532	8.1	28	2	4	17	"InChI=1S/C22H38N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21(26)27-2)23-22(28)24-20(18)25/h3-17H2,1-2H3,(H2,23,24,25,28)"	CCCCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)C(=O)OC	DXEKVIVVAIASET-UHFFFAOYSA-N
DG61015	Methyl 5-(4-chlorophenyl)-6-hydroxy-2-sulfanyl-pyrimidine-4-carboxylate	3004178	NSC635140; NCIMech_000164; CHEMBL1996323; ZINC8653120; CCG-35298; NSC-635140; NCI60_011686; 1 Methyl 5-(4-chlorophenyl)-6-hydroxy-2-mercapto-4-pyrimidinecarboxylate; methyl 5-(4-chlorophenyl)-6-hydroxy-2-sulfanyl-pyrimidine-4-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635140	.	.	.	.	296.73	C12H9ClN2O3S	99.5	456	2	19	2	4	3	"InChI=1S/C12H9ClN2O3S/c1-18-11(17)9-8(10(16)15-12(19)14-9)6-2-4-7(13)5-3-6/h2-5H,1H3,(H2,14,15,16,19)"	COC(=O)C1=C(C(=O)NC(=S)N1)C2=CC=C(C=C2)Cl	VBTOUFRMJPKHIX-UHFFFAOYSA-N
DG61016	"N-(2-tert-butyl-6-methyl-phenyl)-3-(2-thioxo-3H-1,3,4-oxadiazol-5-yl)propanamide"	3004210	"NSC636112; CHEMBL1991127; ZINC6491259; NSC-636112; NCI60_012032; N-(2-tert-butyl-6-methyl-phenyl)-3-(2-thioxo-3H-1,3,4-oxadiazol-5-yl)propanamide; N-(2-tert-Butyl-6-methylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636112	.	.	.	.	319.4	C16H21N3O2S	94.8	471	3.1	22	2	4	5	"InChI=1S/C16H21N3O2S/c1-10-6-5-7-11(16(2,3)4)14(10)17-12(20)8-9-13-18-19-15(22)21-13/h5-7H,8-9H2,1-4H3,(H,17,20)(H,19,22)"	CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CCC2=NNC(=S)O2	HKKYQFSPIDHKDH-UHFFFAOYSA-N
DG61017	"6-(3,4-Dichlorophenoxy)-1,3,5-triazine-2,4-dithiol"	3004211	"NSC636114; CHEMBL1998594; ZINC1624646; NSC-636114; NCI60_012034; 1,5-Triazine-2,4-dithiol, 6-(3,4-dichlorophenoxy)-; 6-(3,4-Dichlorophenoxy)-1,3,5-triazine-2,4-dithiol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636114	.	.	.	.	306.2	C9H5Cl2N3OS2	110	377	3.5	17	2	3	2	"InChI=1S/C9H5Cl2N3OS2/c10-5-2-1-4(3-6(5)11)15-7-12-8(16)14-9(17)13-7/h1-3H,(H2,12,13,14,16,17)"	C1=CC(=C(C=C1OC2=NC(=S)NC(=S)N2)Cl)Cl	IUUDWMJJBJLTDS-UHFFFAOYSA-N
DG61018	"2-Mercapto-8-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol"	3004217	"NSC636794; CHEMBL1969073; NSC-636794; NCI60_012186; 2-Mercapto-8-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol; 8-(4-methoxyphenyl)-6-methyl-2-sulfanyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636794	.	.	.	.	316.4	C15H16N4O2S	107	550	1	22	3	5	2	"InChI=1S/C15H16N4O2S/c1-8-7-11(9-3-5-10(21-2)6-4-9)17-13-12(16-8)14(20)19-15(22)18-13/h3-6,11H,7H2,1-2H3,(H3,17,18,19,20,22)"	CC1=NC2=C(NC(C1)C3=CC=C(C=C3)OC)NC(=S)NC2=O	UHEXDARYZIFOCU-UHFFFAOYSA-N
DG61019	"8-(2,6-Dichlorophenyl)-2-mercapto-6-methyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol"	3004220	"NSC636984; Neuro_000286; CHEMBL2001060; NSC-636984; NCI60_012252; 8-(2,6-Dichlorophenyl)-2-mercapto-6-methyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol; 8-(2,6-dichlorophenyl)-6-methyl-2-sulfanyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636984	.	.	.	.	355.2	C14H12Cl2N4OS	97.6	567	2.3	22	3	4	1	"InChI=1S/C14H12Cl2N4OS/c1-6-5-9(10-7(15)3-2-4-8(10)16)18-12-11(17-6)13(21)20-14(22)19-12/h2-4,9H,5H2,1H3,(H3,18,19,20,21,22)"	CC1=NC2=C(NC(C1)C3=C(C=CC=C3Cl)Cl)NC(=S)NC2=O	NGRSGVITJHAZFF-UHFFFAOYSA-N
DG61020	methyl (2Z)-2-cyano-2-(3-oxoisoindolin-1-ylidene)acetate	3004238	"NSC640180; CHEMBL1998787; NSC-640180; methyl (2Z)-2-cyano-2-(3-oxoisoindolin-1-ylidene)acetate; Methyl cyano(3-oxo-2,3-dihydro-1H-isoindol-1-ylidene)acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640180	.	.	.	.	228.2	C12H8N2O3	79.2	444	0.8	17	1	4	2	"InChI=1S/C12H8N2O3/c1-17-12(16)9(6-13)10-7-4-2-3-5-8(7)11(15)14-10/h2-5H,1H3,(H,14,15)/b10-9-"	COC(=O)/C(=C\\1/C2=CC=CC=C2C(=O)N1)/C#N	ILMSJJPDUFXHGP-KTKRTIGZSA-N
DG61021	N-(2-(Hydroxy(oxido)amino)-4-(trifluoromethyl)phenyl)-2-oxo-2-(5-oxo-2-thioxo-4-imidazolidinyl)acetamide	3004248	NSC640351; N-(2-(Hydroxy(oxido)amino)-4-(trifluoromethyl)phenyl)-2-oxo-2-(5-oxo-2-thioxo-4-imidazolidinyl)acetamide; CHEMBL2007248; NSC-640351; NCI60_013459; N-[2-nitro-4-(trifluoromethyl)phenyl]-2-oxo-2-(5-oxo-2-thioxo-imidazolidin-4-yl)acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640351	.	.	.	.	376.27	C12H7F3N4O5S	165	635	1.8	25	3	9	3	"InChI=1S/C12H7F3N4O5S/c13-12(14,15)4-1-2-5(6(3-4)19(23)24)16-10(22)8(20)7-9(21)18-11(25)17-7/h1-3,7H,(H,16,22)(H2,17,18,21,25)"	C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NC(=O)C(=O)C2C(=O)NC(=S)N2	PUUCYBHJCJWIQX-UHFFFAOYSA-N
DG61022	"4-bromo-N-[(2,6-diethylphenyl)carbamothioyl]benzamide"	3004250	"NSC640359; Thiourea,6-diethylphenyl)-; 4-bromo-N-[(2,6-diethylphenyl)carbamothioyl]benzamide; CHEMBL1987349; ZINC5549441; NSC-640359; NCI60_013467; N-(4-Bromobenzoyl)-N'-(2,6-diethylphenyl)thiourea; Thiourea, {N-[(4-bromophenyl)carbonyl]-} N'-(2,6-diethylphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640359	.	.	.	.	391.3	C18H19BrN2OS	73.2	398	5.8	23	2	2	4	"InChI=1S/C18H19BrN2OS/c1-3-12-6-5-7-13(4-2)16(12)20-18(23)21-17(22)14-8-10-15(19)11-9-14/h5-11H,3-4H2,1-2H3,(H2,20,21,22,23)"	CCC1=C(C(=CC=C1)CC)NC(=S)NC(=O)C2=CC=C(C=C2)Br	PHNGFSCBIVNEKD-UHFFFAOYSA-N
DG61023	"4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)-N-(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)butanamide"	3004261	"NSC641251; CHEMBL2003375; NSC-641251; NCI60_013910; 4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)butanamide; 4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)-N-(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641251	.	.	.	.	472.5	C24H16N4O5S	158	936	3.2	34	3	6	6	"InChI=1S/C24H16N4O5S/c29-18(14-10-9-12-5-1-2-6-13(12)11-14)17(19(30)21(31)25-23-26-24(34)28-27-23)20-15-7-3-4-8-16(15)22(32)33-20/h1-11,17,20H,(H3,25,26,27,28,31,34)"	C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=NC(=S)NN5	VFDIEXPTWUSPAD-UHFFFAOYSA-N
DG61024	"(5Z)-3-(4-chlorocyclohexa-1,3-dien-1-yl)-2-(2-chloro-5-nitro-phenyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one"	3004300	"NSC643737; CHEMBL2004923; NSC-643737; (5Z)-3-(4-chlorocyclohexa-1,3-dien-1-yl)-2-(2-chloro-5-nitro-phenyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one; 3-(4-Chloro-1,3-cyclohexadien-1-yl)-2-(2-chloro-5-(hydroxy(oxido)amino)phenyl)-5-(1-(2-oxo-2H-chromen-3-yl)ethylidene)-3,5-dihydro-4H-imidazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643737	.	.	.	.	522.299	C26H17Cl2N3O5	105	1150	6.1	36	0	6	3	"InChI=1S/C26H17Cl2N3O5/c1-14(19-12-15-4-2-3-5-22(15)36-26(19)33)23-25(32)30(17-8-6-16(27)7-9-17)24(29-23)20-13-18(31(34)35)10-11-21(20)28/h2-6,8,10-13H,7,9H2,1H3/b23-14-"	C/C(=C/1\\C(=O)N(C(=N1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=C(CC3)Cl)/C4=CC5=CC=CC=C5OC4=O	MBDXRJNIATYDCP-UCQKPKSFSA-N
DG61025	NSC643740	3004303	"3-[4-[(1Z)-1-[1-(4-bromophenyl)-2-(2-chloro-5-nitro-phenyl)-5-oxo-imidazol-4-ylidene]ethyl]-N-(2-cyanoethyl)-3-methyl-anilino]propanenitrile; NSC643740; CHEMBL1970914; NSC-643740; 3-[4-[(1Z)-1-[1-(4-bromophenyl)-2-(2-chloro-5-nitro-phenyl)-5-oxo-imidazol-4-ylidene]ethyl]-N-(2-cyanoethyl)-3-methyl-anilino]propanenitrile; Propanenitrile, 3,3'-[[4-[(1Z)-1-[1-(4-bromophenyl)-2-(2-chloro-5-nitrophenyl)-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene]ethyl]-3-methylphenyl]imino]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643740	.	.	.	.	631.9	C30H24BrClN6O3	129	1120	6.4	41	0	7	8	"InChI=1S/C30H24BrClN6O3/c1-19-17-23(36(15-3-13-33)16-4-14-34)9-11-25(19)20(2)28-30(39)37(22-7-5-21(31)6-8-22)29(35-28)26-18-24(38(40)41)10-12-27(26)32/h5-12,17-18H,3-4,15-16H2,1-2H3/b28-20-"	CC1=C(C=CC(=C1)N(CCC#N)CCC#N)/C(=C\\2/C(=O)N(C(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)Br)/C	VJTQQVLQQOABSX-RRAHZORUSA-N
DG61026	"7-(Aminosulfonyl)-N-(3-amino-1H-1,2,4-triazol-5-yl)-6-chloro-2H-1,2,4-benzothiadiazine-3-carboxamide 1,1-dioxide"	3004318	"NSC644779; CHEMBL1964422; NSC-644779; NCI60_015190; 7-(Aminosulfonyl)-N-(3-amino-1H-1,2,4-triazol-5-yl)-6-chloro-2H-1,2,4-benzothiadiazine-3-carboxamide 1,1-dioxide; N-(3-amino-1H-1,2,4-triazol-5-yl)-6-chloro-1,1-dioxo-7-sulfamoyl-2H-1$l^{6},2,4-benzothiadiazine-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644779	.	.	.	.	420.8	C10H9ClN8O5S2	232	821	-0.7	26	5	10	3	"InChI=1S/C10H9ClN8O5S2/c11-3-1-4-6(2-5(3)25(13,21)22)26(23,24)19-7(14-4)8(20)15-10-16-9(12)17-18-10/h1-2H,(H,14,19)(H2,13,21,22)(H4,12,15,16,17,18,20)"	C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=C(N2)C(=O)NC3=NNC(=N3)N	RKUMZTYXNOVPNU-UHFFFAOYSA-N
DG61027	"Methyl 2-[2-(3,5-diphenylpyrazol-1-yl)thiazol-4-yl]-3,4-dioxo-4-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)amino]butanoate"	3004319	"NSC644780; CHEMBL2004989; NSC-644780; NCI60_015191; Methyl 2-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl)-3,4-dioxo-4-((5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)amino)butanoate; methyl 2-[2-(3,5-diphenylpyrazol-1-yl)thiazol-4-yl]-3,4-dioxo-4-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)amino]butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644780	.	.	.	.	545.6	C25H19N7O4S2	200	954	3.7	38	3	8	9	"InChI=1S/C25H19N7O4S2/c1-36-22(35)19(20(33)21(34)27-23-28-24(37)30-29-23)17-13-38-25(26-17)32-18(15-10-6-3-7-11-15)12-16(31-32)14-8-4-2-5-9-14/h2-13,19H,1H3,(H3,27,28,29,30,34,37)"	COC(=O)C(C1=CSC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(=O)NC5=NC(=S)NN5	VEKOERAWPIQDHH-UHFFFAOYSA-N
DG61028	2-[(9-thioxo-10H-acridin-3-yl)amino]-N-[2-[2-[[2-[(9-thioxo-10H-acridin-3-yl)amino]acetyl]amino]phenyl]phenyl]acetamide	3004325	"NSC645153; CHEMBL2004765; NSC-645153; NCI60_015359; 1,2'-diamine, N,N'-bis[2-[9(10H)thioxo-3-acridinyl]aminoacetyl]-; 9(10H)-Acridinethione,1'-biphenyl-2,2'-diyl] (2-aminoacetyl)amino-; 2-((9-Thioxo-9,10-dihydro-3-acridinyl)amino)-N-(2'-((((9-thioxo-9,10-dihydro-3-acridinyl)amino)acetyl)amino)[1,1'-biphenyl]-2-yl)acetamide; 2-[(9-thioxo-10H-acridin-3-yl)amino]-N-[2-[2-[[2-[(9-thioxo-10H-acridin-3-yl)amino]acetyl]amino]phenyl]phenyl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645153	.	.	.	.	716.9	C42H32N6O2S2	171	1200	8.6	52	6	8	9	"InChI=1S/C42H32N6O2S2/c49-39(23-43-25-17-19-31-37(21-25)45-35-15-7-3-11-29(35)41(31)51)47-33-13-5-1-9-27(33)28-10-2-6-14-34(28)48-40(50)24-44-26-18-20-32-38(22-26)46-36-16-8-4-12-30(36)42(32)52/h1-22,43-44H,23-24H2,(H,45,51)(H,46,52)(H,47,49)(H,48,50)"	C1=CC=C2C(=C1)C(=S)C3=C(N2)C=C(C=C3)NCC(=O)NC4=CC=CC=C4C5=CC=CC=C5NC(=O)CNC6=CC7=C(C=C6)C(=S)C8=CC=CC=C8N7	DXDDVYZEVDLWNO-UHFFFAOYSA-N
DG61029	"1-Amino-3-[[3-(aminocarbamothioylhydrazono)-2,2,4,4-tetramethyl-cyclobutylidene]amino]thiourea"	3004348	"NSC647253; CHEMBL1968945; ZINC1630390; NSC-647253; NCI60_016357; Carbonothioic dihydrazide, N'',N''''''-(2,2,4,4-tetramethyl-1,3-cyclobutanediylidene)bis-; 1-amino-3-[[3-(aminocarbamothioylhydrazono)-2,2,4,4-tetramethyl-cyclobutylidene]amino]thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647253	.	.	.	.	316.5	C10H20N8S2	189	416	0.7	20	6	6	2	"InChI=1S/C10H20N8S2/c1-9(2)5(15-17-7(19)13-11)10(3,4)6(9)16-18-8(20)14-12/h11-12H2,1-4H3,(H2,13,17,19)(H2,14,18,20)"	CC1(C(=NNC(=S)NN)C(C1=NNC(=S)NN)(C)C)C	MXJKCBQXSFEOEY-UHFFFAOYSA-N
DG61030	"(E)-3-chloro-2,3-bis(3-methoxyphenyl)prop-2-enal"	3004400	"NSC650592; (E)-3-chloro-2,3-bis(3-methoxyphenyl)prop-2-enal; CHEMBL1980998; NSC-650592; 3-Chloro-2,3-bis(3-methoxyphenyl)acrylaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650592	.	.	.	.	302.7	C17H15ClO3	35.5	380	3.8	21	0	3	5	"InChI=1S/C17H15ClO3/c1-20-14-7-3-5-12(9-14)16(11-19)17(18)13-6-4-8-15(10-13)21-2/h3-11H,1-2H3/b17-16-"	COC1=CC=CC(=C1)/C(=C(/C2=CC(=CC=C2)OC)\\Cl)/C=O	YTWTXVDJVCSVOR-MSUUIHNZSA-N
DG61031	"(E)-3-chloro-2-(3,4-dimethoxyphenyl)-3-(3,4-dipropoxyphenyl)prop-2-enal"	3004402	"NSC650594; CHEMBL2006320; ZINC1632225; (E)-3-chloro-2-(3,4-dimethoxyphenyl)-3-(3,4-dipropoxyphenyl)prop-2-enal; NSC-650594; 3-Chloro-2-(3,4-dimethoxyphenyl)-3-(3,4-dipropoxyphenyl)acrylaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650594	.	.	.	.	418.9	C23H27ClO5	54	523	5.5	29	0	5	11	"InChI=1S/C23H27ClO5/c1-5-11-28-20-10-8-17(14-22(20)29-12-6-2)23(24)18(15-25)16-7-9-19(26-3)21(13-16)27-4/h7-10,13-15H,5-6,11-12H2,1-4H3/b23-18-"	CCCOC1=C(C=C(C=C1)/C(=C(\\C=O)/C2=CC(=C(C=C2)OC)OC)/Cl)OCCC	SOSMMCSSERKRQU-NKFKGCMQSA-N
DG61032	"2-(((4,5-Diphenyl-1H-imidazol-2-yl)thio)acetyl)-N-phenylhydrazinecarbothioamide"	3004405	"NSC650817; CHEMBL2007383; NSC-650817; NCI60_017733; 1-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-3-phenyl-thiourea; 2-(((4,5-Diphenyl-1H-imidazol-2-yl)thio)acetyl)-N-phenylhydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650817	.	.	.	.	459.6	C24H21N5OS2	139	603	5.1	32	4	4	6	"InChI=1S/C24H21N5OS2/c30-20(28-29-23(31)25-19-14-8-3-9-15-19)16-32-24-26-21(17-10-4-1-5-11-17)22(27-24)18-12-6-2-7-13-18/h1-15H,16H2,(H,26,27)(H,28,30)(H2,25,29,31)"	C1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NNC(=S)NC3=CC=CC=C3)C4=CC=CC=C4	DYGUFDBATCHVTI-UHFFFAOYSA-N
DG61033	"2-(2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-3-methylbutanoyl)-N-phenylhydrazinecarbothioamide"	3004406	"NSC650818; CHEMBL1997890; NSC-650818; NCI60_017734; 1-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-methyl-butanoyl]amino]-3-phenyl-thiourea; 2-(2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-3-methylbutanoyl)-N-phenylhydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650818	.	.	.	.	501.7	C27H27N5OS2	139	675	6.4	35	4	4	7	"InChI=1S/C27H27N5OS2/c1-18(2)24(25(33)31-32-26(34)28-21-16-10-5-11-17-21)35-27-29-22(19-12-6-3-7-13-19)23(30-27)20-14-8-4-9-15-20/h3-18,24H,1-2H3,(H,29,30)(H,31,33)(H2,28,32,34)"	CC(C)C(C(=O)NNC(=S)NC1=CC=CC=C1)SC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4	BROKHWDLQSGCDE-UHFFFAOYSA-N
DG61034	"3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4-ethyl-1H-1,2,4-triazole-5-thione"	3004407	"NSC650819; CHEMBL2000291; NSC-650819; 3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4-ethyl-1H-1,2,4-triazole-5-thione; NCI60_017735; 5-[[(4,5-Diphenyl-1H-imidazol-2-yl)thio]methyl]-4-ethyl-4H-1,2,4-triazole-3(2H)-thione; 5-(((4,5-Diphenyl-1H-imidazol-2-yl)thio)methyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650819	.	.	.	.	393.5	C20H19N5S2	114	543	4.4	27	2	4	6	"InChI=1S/C20H19N5S2/c1-2-25-16(23-24-20(25)26)13-27-19-21-17(14-9-5-3-6-10-14)18(22-19)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,21,22)(H,24,26)"	CCN1C(=NNC1=S)CSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4	YDDLAKKAHJWKKC-UHFFFAOYSA-N
DG61035	"1-(1,2-Benzothiazole-3-carbonylamino)-3-ethyl-thiourea"	3004428	"NSC652919; CHEMBL1977319; NSC-652919; NCI60_018505; 1-(1,2-benzothiazole-3-carbonylamino)-3-ethyl-thiourea; 2-(1,2-Benzisothiazol-3-ylcarbonyl)-N-ethylhydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652919	.	.	.	.	280.4	C11H12N4OS2	126	326	2.2	18	3	4	2	"InChI=1S/C11H12N4OS2/c1-2-12-11(17)14-13-10(16)9-7-5-3-4-6-8(7)18-15-9/h3-6H,2H2,1H3,(H,13,16)(H2,12,14,17)"	CCNC(=S)NNC(=O)C1=NSC2=CC=CC=C21	AOSIUPVZBRFSCU-UHFFFAOYSA-N
DG61036	"1-(1,2-Benzothiazole-3-carbonylamino)-3-phenyl-thiourea"	3004429	"NSC652920; CHEMBL2005877; NSC-652920; NCI60_018506; 1-(1,2-benzothiazole-3-carbonylamino)-3-phenyl-thiourea; 2-(1,2-Benzisothiazol-3-ylcarbonyl)-N-phenylhydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652920	.	.	.	.	328.4	C15H12N4OS2	126	414	3.4	22	3	4	2	"InChI=1S/C15H12N4OS2/c20-14(13-11-8-4-5-9-12(11)22-19-13)17-18-15(21)16-10-6-2-1-3-7-10/h1-9H,(H,17,20)(H2,16,18,21)"	C1=CC=C(C=C1)NC(=S)NNC(=O)C2=NSC3=CC=CC=C32	OCKCEWFATKATKJ-UHFFFAOYSA-N
DG61037	"4-amino-3-(2-methoxyphenyl)-5-methyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione"	3004447	"NSC655419; CHEMBL1966530; NSC-655419; 4-amino-3-(2-methoxyphenyl)-5-methyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione; NCI60_019214; 4-Amino-3-(2-methoxyphenyl)-5-methyl-6-phenyl-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidine-2-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655419	.	.	.	.	362.4	C20H18N4OS	95	690	2.6	26	2	3	3	"InChI=1S/C20H18N4OS/c1-12-16-18(21)24(14-10-6-7-11-15(14)25-2)20(26)23-19(16)22-17(12)13-8-4-3-5-9-13/h3-11H,21H2,1-2H3,(H,22,23,26)"	CC1=C(NC2=NC(=S)N(C(=C12)N)C3=CC=CC=C3OC)C4=CC=CC=C4	FKNMYOLBVZNZSS-UHFFFAOYSA-N
DG61038	"7-Amino-4,12-dianilino-3,13-dithia-1,5,8,11,15-pentazatetracyclo[7.7.0.02,6.010,14]hexadeca-2(6),4,7,9,11,14-hexaene-16-thione"	3004448	"NSC655527; dianilino(imino)[ ]thione; CHEMBL1996485; NSC-655527; NCI60_019299; 2,8-Dianilino-11-imino-10,11-dihydro-5H-[1,3]thiazolo[4,5-e][1,3]thiazolo[5',4':4,5]pyrimido[1,6-a]pyrimidine-5-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655527	.	.	.	.	474.6	C21H14N8S3	189	916	4	32	3	7	4	"InChI=1S/C21H14N8S3/c22-15-13-18(32-20(25-13)24-12-9-5-2-6-10-12)29-16(27-15)14-17(28-21(29)30)31-19(26-14)23-11-7-3-1-4-8-11/h1-10H,(H2,22,27)(H,23,26)(H,24,25)"	C1=CC=C(C=C1)NC2=NC3=C(S2)N4C(=C5C(=NC4=S)SC(=N5)NC6=CC=CC=C6)N=C3N	ATMIIBWMPPQCBP-UHFFFAOYSA-N
DG61039	"(3Z)-6-methyl-3-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione"	3004473	"NSC657455; CHEMBL1964371; ZINC1636030; NSC-657455; (3Z)-6-methyl-3-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione; 6-Methyl-3-((5-methyl-2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl)methylene)-2H-pyran-2,4(3H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657455	.	.	.	.	300.3	C15H12N2O3S	90.7	582	1.9	21	1	4	1	"InChI=1S/C15H12N2O3S/c1-8-3-4-12-11(5-8)16-15(21)17(12)7-10-13(18)6-9(2)20-14(10)19/h3-7H,1-2H3,(H,16,21)/b10-7-"	CC1=CC2=C(C=C1)N(C(=S)N2)/C=C\\3/C(=O)C=C(OC3=O)C	IAXHKLOGGUEKHW-YFHOEESVSA-N
DG61040	3-Bromo-3-iodo-2-phenylacrylaldehyde	3004478	NSC657560; (Z)-3-bromo-3-iodo-2-phenylpropenal; SCHEMBL9115772; ZINC6514004; 3-Bromo-3-iodo-2-phenylacrylaldehyde; (E)-3-bromo-3-iodo-2-phenyl-prop-2-enal	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657560	.	.	.	.	336.95	C9H6BrIO	17.1	195	3	12	0	1	2	InChI=1S/C9H6BrIO/c10-9(11)8(6-12)7-4-2-1-3-5-7/h1-6H/b9-8-	C1=CC=C(C=C1)/C(=C(/Br)\\I)/C=O	ZKOMDKWMXRQBGK-HJWRWDBZSA-N
DG61041	4-Bromo-4-iodo-3-phenyl-3-buten-2-one	3004479	NSC657561; (Z)-4-bromo-4-iodo-3-phenyl-3-buten-2-one; SCHEMBL9115245; 4-Bromo-4-iodo-3-phenyl-3-buten-2-one; (E)-4-bromo-4-iodo-3-phenyl-but-3-en-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657561	.	.	.	.	350.98	C10H8BrIO	17.1	229	3.2	13	0	1	2	"InChI=1S/C10H8BrIO/c1-7(13)9(10(11)12)8-5-3-2-4-6-8/h2-6H,1H3/b10-9-"	CC(=O)/C(=C(\\Br)/I)/C1=CC=CC=C1	HFETZVUWYDOJFD-KTKRTIGZSA-N
DG61042	2-(Bromo(iodo)methylene)cyclohexanone	3004480	NSC657562; ZINC1636048; 2-(Bromo(iodo)methylene)cyclohexanone; (2E)-2-[bromo(iodo)methylene]cyclohexanone; {2-[(Z)-Bromoiodomethylidene]} cyclohexanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657562	.	.	.	.	314.95	C7H8BrIO	17.1	186	2.5	10	0	1	0	InChI=1S/C7H8BrIO/c8-7(9)5-3-1-2-4-6(5)10/h1-4H2/b7-5+	C1CCC(=O)/C(=C(\\Br)/I)/C1	MCOGFXOCYOJSND-FNORWQNLSA-N
DG61043	"(3Z)-6-methyl-3-[(2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione"	3004499	"NSC657609; CHEMBL1995549; ZINC5733697; NSC-657609; (3Z)-6-methyl-3-[(2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione; 6-Methyl-3-((2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl)methylene)-2H-pyran-2,4(3H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657609	.	.	.	.	286.31	C14H10N2O3S	90.7	553	1.6	20	1	4	1	"InChI=1S/C14H10N2O3S/c1-8-6-12(17)9(13(18)19-8)7-16-11-5-3-2-4-10(11)15-14(16)20/h2-7H,1H3,(H,15,20)/b9-7-"	CC1=CC(=O)/C(=C/N2C3=CC=CC=C3NC2=S)/C(=O)O1	ZDELOKFYGRWDIL-CLFYSBASSA-N
DG61044	(3E)-3-[chloro(1-naphthyl)methylene]isobenzofuran-1-one	3004512	NSC657735; CHEMBL1995049; ZINC1636180; NSC-657735; (3E)-3-[chloro(1-naphthyl)methylene]isobenzofuran-1-one; 3-(Chloro(1-naphthyl)methylene)-2-benzofuran-1(3H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657735	.	.	.	.	306.7	C19H11ClO2	26.3	484	5.1	22	0	2	1	InChI=1S/C19H11ClO2/c20-17(14-11-5-7-12-6-1-2-8-13(12)14)18-15-9-3-4-10-16(15)19(21)22-18/h1-11H/b18-17+	C1=CC=C2C(=C1)C=CC=C2/C(=C\\3/C4=CC=CC=C4C(=O)O3)/Cl	AOLCWLQXYXCEHR-ISLYRVAYSA-N
DG61045	"[(5Z)-1,7,7-trimethyl-5-(nitromethylene)-6-oxo-norbornan-2-yl] acetate"	3004516	"NSC657829; CHEMBL1987376; NSC-657829; (1R)-(-)-3-Nitromethine-6-endo-acetoxycamphor; [(5Z)-1,7,7-trimethyl-5-(nitromethylene)-6-oxo-norbornan-2-yl] acetate; 5-((Hydroxy(oxido)amino)methylene)-1,7,7-trimethyl-6-oxobicyclo[2.2.1]hept-2-yl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657829	.	.	.	.	267.28	C13H17NO5	89.2	502	1.5	19	0	5	2	"InChI=1S/C13H17NO5/c1-7(15)19-10-5-9-8(6-14(17)18)11(16)13(10,4)12(9,2)3/h6,9-10H,5H2,1-4H3/b8-6-"	CC(=O)OC1CC2/C(=C/[N+](=O)[O-])/C(=O)C1(C2(C)C)C	ILQGVKFYAJGOKQ-VURMDHGXSA-N
DG61046	"(4Z)-4-(3,3-diphenyl-2-benzothiophen-1-ylidene)-5-methyl-2-phenyl-pyrazol-3-one"	3004519	"NSC658175; CHEMBL1968596; NSC-658175; (4Z)-4-(3,3-diphenyl-2-benzothiophen-1-ylidene)-5-methyl-2-phenyl-pyrazol-3-one; 4-(3,3-Diphenyl-2-benzothien-1(3H)-ylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658175	.	.	.	.	458.6	C30H22N2OS	58	811	6.4	34	0	3	3	"InChI=1S/C30H22N2OS/c1-21-27(29(33)32(31-21)24-17-9-4-10-18-24)28-25-19-11-12-20-26(25)30(34-28,22-13-5-2-6-14-22)23-15-7-3-8-16-23/h2-20H,1H3/b28-27-"	CC\\1=NN(C(=O)/C1=C\\2/C3=CC=CC=C3C(S2)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6	YGLGYZMZGFRWLS-DQSJHHFOSA-N
DG61047	2-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]propanediamide	3004537	"NSC658310; CHEMBL1964883; ZINC5504094; NSC-658310; NCI60_020443; 2-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]propanediamide; 2-((5-Methyl-2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl)methylene)malonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658310	.	.	.	.	276.32	C12H12N4O2S	134	447	0.9	19	3	3	3	"InChI=1S/C12H12N4O2S/c1-6-2-3-9-8(4-6)15-12(19)16(9)5-7(10(13)17)11(14)18/h2-5H,1H3,(H2,13,17)(H2,14,18)(H,15,19)"	CC1=CC2=C(C=C1)N(C(=S)N2)C=C(C(=O)N)C(=O)N	BSQQIZZBCZIJPP-UHFFFAOYSA-N
DG61048	(2Z)-N-(o-tolyl)-3-oxo-2-[(2-thioxo-3H-benzimidazol-1-yl)methylene]butanamide	3004544	"NSC658319; CHEMBL1975983; ZINC1636490; NSC-658319; (2Z)-N-(o-tolyl)-3-oxo-2-[(2-thioxo-3H-benzimidazol-1-yl)methylene]butanamide; 2-Acetyl-N-(2-methylphenyl)-3-(2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl)acrylamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658319	.	.	.	.	351.4	C19H17N3O2S	93.5	589	3.1	25	2	3	4	"InChI=1S/C19H17N3O2S/c1-12-7-3-4-8-15(12)20-18(24)14(13(2)23)11-22-17-10-6-5-9-16(17)21-19(22)25/h3-11H,1-2H3,(H,20,24)(H,21,25)/b14-11-"	CC1=CC=CC=C1NC(=O)/C(=C\\N2C3=CC=CC=C3NC2=S)/C(=O)C	JREIFCCJYVQCDF-KAMYIIQDSA-N
DG61049	2-[[[4-(2-Pyridylsulfamoyl)phenyl]carbamothioylamino]methylene]propanediamide	3004551	NSC658327; CHEMBL2004448; ZINC102966476; NSC-658327; NCI60_020460; 2-({[({4-[(Pyridin-2-ylamino)sulfonyl]phenyl}amino)carbonothioyl]amino}methylene)malonamide; 2-[[[4-(2-pyridylsulfamoyl)phenyl]carbamothioylamino]methylene]propanediamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658327	.	.	.	.	420.5	C16H16N6O4S2	210	710	-0.5	28	5	7	7	"InChI=1S/C16H16N6O4S2/c17-14(23)12(15(18)24)9-20-16(27)21-10-4-6-11(7-5-10)28(25,26)22-13-3-1-2-8-19-13/h1-9H,(H2,17,23)(H2,18,24)(H,19,22)(H2,20,21,27)"	C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC=C(C(=O)N)C(=O)N	VCMZFDJLJQDEJF-UHFFFAOYSA-N
DG61050	"2-[[(3,4-Dichlorophenyl)carbamothioylamino]methylene]propanediamide"	3004556	"NSC658334; CHEMBL1974953; ZINC102915771; NSC-658334; NCI60_020465; 2-[[(3,4-dichlorophenyl)carbamothioylamino]methylene]propanediamide; 2-[({[(3,4-Dichlorophenyl)amino]carbonothioyl}amino)methylene]malonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658334	.	.	.	.	333.2	C11H10Cl2N4O2S	142	428	2	20	4	3	4	"InChI=1S/C11H10Cl2N4O2S/c12-7-2-1-5(3-8(7)13)17-11(20)16-4-6(9(14)18)10(15)19/h1-4H,(H2,14,18)(H2,15,19)(H2,16,17,20)"	C1=CC(=C(C=C1NC(=S)NC=C(C(=O)N)C(=O)N)Cl)Cl	ALFOLAHKBDEAAU-UHFFFAOYSA-N
DG61051	"Diethyl 2-((4,6-dioxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)methylene)-3-oxosuccinate"	3004567	"NSC658352; CHEMBL1988861; ZINC16958370; NSC-658352; diethyl (2Z)-2-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl)methylene]-3-oxo-butanedioate; Diethyl 2-((4,6-dioxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)methylene)-3-oxosuccinate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658352	.	.	.	.	342.33	C13H14N2O7S	151	611	0.3	23	1	8	8	"InChI=1S/C13H14N2O7S/c1-3-21-11(19)7(10(18)12(20)22-4-2)6-15-9(17)5-8(16)14-13(15)23/h6H,3-5H2,1-2H3,(H,14,16,23)/b7-6-"	CCOC(=O)/C(=C\\N1C(=O)CC(=O)NC1=S)/C(=O)C(=O)OCC	PMMMDWHZOQYWLX-SREVYHEPSA-N
DG61052	Diethyl 2-((2-thioxo-1-imidazolidinyl)methylene)malonate	3004572	NSC658482; CHEMBL2004338; ZINC5828379; NSC-658482; NCI60_020570; Diethyl 2-((2-thioxo-1-imidazolidinyl)methylene)malonate; diethyl 2-[(2-thioxoimidazolidin-1-yl)methylene]propanedioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658482	.	.	.	.	272.32	C11H16N2O4S	100	361	0.7	18	1	5	7	"InChI=1S/C11H16N2O4S/c1-3-16-9(14)8(10(15)17-4-2)7-13-6-5-12-11(13)18/h7H,3-6H2,1-2H3,(H,12,18)"	CCOC(=O)C(=CN1CCNC1=S)C(=O)OCC	ZJLNZPFAENSGCS-UHFFFAOYSA-N
DG61053	"N-(2,2-Dicyanovinyl)pyridine-4-carbothioamide"	3004574	"NSC658484; CHEMBL1966559; ZINC13000831; NSC-658484; NCI60_020572; N-(2,2-Dicyanovinyl)pyridine-4-carbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658484	.	.	.	.	214.25	C10H6N4S	105	343	0.5	15	1	4	2	"InChI=1S/C10H6N4S/c11-5-8(6-12)7-14-10(15)9-1-3-13-4-2-9/h1-4,7H,(H,14,15)"	C1=CN=CC=C1C(=S)NC=C(C#N)C#N	JQDJDCUBYJRAGG-UHFFFAOYSA-N
DG61054	methyl (E)-2-diethoxyphosphoryl-3-(2-thioxo-3H-benzimidazol-1-yl)prop-2-enoate	3004575	"NSC658486; CHEMBL1989231; ZINC5499843; NSC-658486; methyl (E)-2-diethoxyphosphoryl-3-(2-thioxo-3H-benzimidazol-1-yl)prop-2-enoate; Methyl 2-(diethoxyphosphoryl)-3-(2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl)acrylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658486	.	.	.	.	370.4	C15H19N2O5PS	109	558	1.4	24	1	6	8	"InChI=1S/C15H19N2O5PS/c1-4-21-23(19,22-5-2)13(14(18)20-3)10-17-12-9-7-6-8-11(12)16-15(17)24/h6-10H,4-5H2,1-3H3,(H,16,24)/b13-10+"	CCOP(=O)(/C(=C/N1C2=CC=CC=C2NC1=S)/C(=O)OC)OCC	HNJUDWYNIHDMGL-JLHYYAGUSA-N
DG61055	2-((Ethanethioylamino)methylene)malonamide	3004576	NSC658487; CHEMBL2002089; ZINC1636597; NSC-658487; NCI60_020575; 2-((Ethanethioylamino)methylene)malonamide; 2-[(ethanethioylamino)methylene]propanediamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658487	.	.	.	.	187.22	C6H9N3O2S	130	244	-0.7	12	3	3	3	"InChI=1S/C6H9N3O2S/c1-3(12)9-2-4(5(7)10)6(8)11/h2H,1H3,(H2,7,10)(H2,8,11)(H,9,12)"	CC(=S)NC=C(C(=O)N)C(=O)N	OYHKSQZDWFEDPX-UHFFFAOYSA-N
DG61056	"2,2-Dicyanovinylthiourea"	3004581	"NSC658498; 2,2-dicyanovinylthiourea; N-(2,2-Dicyanovinyl)thiourea; SCHEMBL5452358; CHEMBL1983469; ZINC5500604; AKOS024344045; MCULE-7226562288; NSC-658498; NCI60_020587"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658498	.	.	.	.	152.18	C5H4N4S	118	242	-0.6	10	2	3	1	"InChI=1S/C5H4N4S/c6-1-4(2-7)3-9-5(8)10/h3H,(H3,8,9,10)"	C(=C(C#N)C#N)NC(=S)N	QPHHZCXEHPQYCJ-UHFFFAOYSA-N
DG61057	2-[(Phenylcarbamothioylamino)methylene]propanediamide	3004583	NSC658500; CHEMBL1975066; ZINC102941481; NSC-658500; NCI60_020589; 2-[(phenylcarbamothioylamino)methylene]propanediamide; 2-{[(Anilinocarbonothioyl)amino]methylene}malonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658500	.	.	.	.	264.31	C11H12N4O2S	142	359	0.7	18	4	3	4	"InChI=1S/C11H12N4O2S/c12-9(16)8(10(13)17)6-14-11(18)15-7-4-2-1-3-5-7/h1-6H,(H2,12,16)(H2,13,17)(H2,14,15,18)"	C1=CC=C(C=C1)NC(=S)NC=C(C(=O)N)C(=O)N	MMZRAMCNUYJSPS-UHFFFAOYSA-N
DG61058	2-[(Allylcarbamothioylamino)methylene]propanediamide	3004587	NSC658504; CHEMBL1977250; ZINC5600913; NSC-658504; NCI60_020593; 2-[(allylcarbamothioylamino)methylene]propanediamide; 2-({[(Allylamino)carbonothioyl]amino}methylene)malonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658504	.	.	.	.	228.27	C8H12N4O2S	142	309	-0.2	15	4	3	5	"InChI=1S/C8H12N4O2S/c1-2-3-11-8(15)12-4-5(6(9)13)7(10)14/h2,4H,1,3H2,(H2,9,13)(H2,10,14)(H2,11,12,15)"	C=CCNC(=S)NC=C(C(=O)N)C(=O)N	ZXGQDDPUWHGNRY-UHFFFAOYSA-N
DG61059	(E)-2-cyano-3-(4-oxo-2-thioxo-pyrimidin-1-yl)prop-2-enamide	3004595	"NSC658512; CHEMBL1974117; ZINC1636633; NSC-658512; (E)-2-cyano-3-(4-oxo-2-thioxo-pyrimidin-1-yl)prop-2-enamide; 2-Cyano-3-(4-oxo-2-thioxo-3,4-dihydro-1(2H)-pyrimidinyl)acrylamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658512	.	.	.	.	222.23	C8H6N4O2S	131	443	-1.2	15	2	4	2	"InChI=1S/C8H6N4O2S/c9-3-5(7(10)14)4-12-2-1-6(13)11-8(12)15/h1-2,4H,(H2,10,14)(H,11,13,15)/b5-4+"	C1=CN(C(=S)NC1=O)/C=C(\\C#N)/C(=O)N	LAHVLIKAAQJWKW-SNAWJCMRSA-N
DG61060	"N-(Isopropylideneamino)-N'-[(Z)-1,2-dicyano-2-aminovinyl]formamidine"	3004651	"NSC659338; CHEMBL1985835; ZINC31853053; NSC-659338; N'-[(Z)-2-amino-1,2-dicyano-vinyl]-N-(isopropylideneamino)formamidine; N-(Isopropylideneamino)-N'-[(Z)-1,2-dicyano-2-aminovinyl]formamidine; N''-(2-Amino-1,2-dicyanovinyl)-N'-(1-methylethylidene)imidoformic hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659338	.	.	.	.	190.21	C8H10N6	110	379	-0.7	14	2	5	3	"InChI=1S/C8H10N6/c1-6(2)14-13-5-12-8(4-10)7(11)3-9/h5H,11H2,1-2H3,(H,12,13)/b8-7-"	CC(=NNC=N/C(=C(/C#N)\\N)/C#N)C	PWYCAGLMGKFSQB-FPLPWBNLSA-N
DG61061	3-(2-Furylcarbonyl)-3-furfuryl-1-phenylthiourea	3004796	NSC659778; CHEMBL1999725; ZINC6514391; NSC-659778; NCI60_021041; 3-(2-Furylcarbonyl)-3-furfuryl-1-phenylthiourea; N-(2-Furoyl)-N-(2-furylmethyl)-N'-phenylthiourea; N-(2-furylmethyl)-N-(phenylcarbamothioyl)furan-2-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659778	.	.	.	.	326.4	C17H14N2O3S	90.7	426	3.7	23	1	4	4	"InChI=1S/C17H14N2O3S/c20-16(15-9-5-11-22-15)19(12-14-8-4-10-21-14)17(23)18-13-6-2-1-3-7-13/h1-11H,12H2,(H,18,23)"	C1=CC=C(C=C1)NC(=S)N(CC2=CC=CO2)C(=O)C3=CC=CO3	QGBHHTDMULYQTI-UHFFFAOYSA-N
DG61062	1-Amino-3-(2-methylallyl)-1-(2-naphthyl)thiourea	3004832	NSC659924; CHEMBL1970062; NSC-659924; NCI60_021050; 1-amino-3-(2-methylallyl)-1-(2-naphthyl)thiourea; N-(2-Methyl-2-propenyl)-1-(2-naphthyl)hydrazinecarbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659924	.	.	.	.	271.4	C15H17N3S	73.4	342	3.5	19	2	2	3	"InChI=1S/C15H17N3S/c1-11(2)10-17-15(19)18(16)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1,10,16H2,2H3,(H,17,19)"	CC(=C)CNC(=S)N(C1=CC2=CC=CC=C2C=C1)N	VFQSTEBWKZFRJV-UHFFFAOYSA-N
DG61063	Methyl 2-(dimethoxyphosphoryl)-3-(2-furyl)-2-butenoate	3004909	NSC660148; Trimethyl 2-phosphono-3-methyl-(2-furan)acrylate; ZINC17223617; Methyl 2-(dimethoxyphosphoryl)-3-(2-furyl)-2-butenoate; methyl (Z)-2-dimethoxyphosphoryl-3-(2-furyl)but-2-enoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660148	.	.	.	.	274.21	C11H15O6P	75	381	1.2	18	0	6	6	"InChI=1S/C11H15O6P/c1-8(9-6-5-7-17-9)10(11(12)14-2)18(13,15-3)16-4/h5-7H,1-4H3/b10-8-"	C/C(=C(\\C(=O)OC)/P(=O)(OC)OC)/C1=CC=CO1	MTLZCUMITOMHMK-NTMALXAHSA-N
DG61064	"2-(5-Oxo-3-thioxo-1,2,4-triazolidine-1-carbothioyl)-5-thioxo-1,2,4-triazolidin-3-one"	3004933	"NSC663998; CHEMBL1982444; ZINC5941387; NSC-663998; NCI60_022016; 2-(5-oxo-3-thioxo-1,2,4-triazolidine-1-carbothioyl)-5-thioxo-1,2,4-triazolidin-3-one; 1,2,4-Triazolidin-3-one, 2-[(5-oxo-3-thioxo-1,2,4-triazolidin-1-yl)thioxomethyl]-5-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663998	.	.	.	.	276.3	C5H4N6O2S3	185	398	-0.1	16	4	5	0	"InChI=1S/C5H4N6O2S3/c12-3-6-1(14)8-10(3)5(16)11-4(13)7-2(15)9-11/h(H2,6,8,12,14)(H2,7,9,13,15)"	C1(=S)NC(=O)N(N1)C(=S)N2C(=O)NC(=S)N2	KPOGFKYTRZKZPY-UHFFFAOYSA-N
DG61065	NSC664020	3004934	"(2E)-4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3-dithiol-2-ylidene]-5-[(4-nitrophenyl)methylsulfanyl]-1,3-dithiole; NSC664020; CHEMBL1987309; NSC-664020; (2E)-4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3-dithiol-2-ylidene]-5-[(4-nitrophenyl)methylsulfanyl]-1,3-dithiole; (2E)-4,4'-Bis(4-chlorophenyl)-5,5'-bis[(4-nitrobenzyl)thio]-2,2'-bi-1,3-dithiole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664020	.	.	.	.	759.8	C32H20Cl2N2O4S6	243	1120	11.1	46	0	10	8	"InChI=1S/C32H20Cl2N2O4S6/c33-23-9-5-21(6-10-23)27-29(41-17-19-1-13-25(14-2-19)35(37)38)45-31(43-27)32-44-28(22-7-11-24(34)12-8-22)30(46-32)42-18-20-3-15-26(16-4-20)36(39)40/h1-16H,17-18H2/b32-31+"	C1=CC(=CC=C1CSC2=C(S/C(=C\\3/SC(=C(S3)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl)/S2)C6=CC=C(C=C6)Cl)[N+](=O)[O-]	DIOJIILCQFHBDW-QNEJGDQOSA-N
DG61066	N-(4-Hydroxy-3-methoxybenzyl)-12-methyltridecanethioamide	3004936	NSC664267; CHEMBL1994015; ZINC5941556; NSC-664267; NCI60_022143; N-(4-Hydroxy-3-methoxybenzyl)-12-methyltridecanethioamide; N-[(4-hydroxy-3-methoxy-phenyl)methyl]-12-methyl-tridecanethioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664267	.	.	.	.	379.6	C22H37NO2S	73.6	362	7.2	26	2	3	14	"InChI=1S/C22H37NO2S/c1-18(2)12-10-8-6-4-5-7-9-11-13-22(26)23-17-19-14-15-20(24)21(16-19)25-3/h14-16,18,24H,4-13,17H2,1-3H3,(H,23,26)"	CC(C)CCCCCCCCCCC(=S)NCC1=CC(=C(C=C1)O)OC	JFDSYEICLRNAQR-UHFFFAOYSA-N
DG61067	(5Z)-5-[chloro-[1-(4-methoxyphenyl)tetrazol-5-yl]methylene]-1-isopropyl-4-(4-methoxyphenyl)tetrazole	3004937	"NSC664408; MLS002702151; CHEMBL1874292; ZINC5941593; NSC-664408; (5Z)-5-[chloro-[1-(4-methoxyphenyl)tetrazol-5-yl]methylene]-1-isopropyl-4-(4-methoxyphenyl)tetrazole; 5-(Chloro(1-(4-methoxyphenyl)-1H-tetraazol-5-yl)methylene)-1-isopropyl-4-(4-methoxyphenyl)-4,5-dihydro-1H-tetraazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664408	.	.	.	.	440.9	C20H21ClN8O2	93.3	662	5.4	31	0	9	6	"InChI=1S/C20H21ClN8O2/c1-13(2)27-20(29(26-25-27)15-7-11-17(31-4)12-8-15)18(21)19-22-23-24-28(19)14-5-9-16(30-3)10-6-14/h5-13H,1-4H3/b20-18-"	CC(C)N1/C(=C(\\C2=NN=NN2C3=CC=C(C=C3)OC)/Cl)/N(N=N1)C4=CC=C(C=C4)OC	BSPCLSGSSQFXPW-ZZEZOPTASA-N
DG61068	(3E)-3-[9-anthryl(chloro)methylene]isobenzofuran-1-one	3004941	NSC664741; CHEMBL1988892; ZINC1639384; NSC-664741; (3E)-3-[9-anthryl(chloro)methylene]isobenzofuran-1-one; 3-(9-Anthryl(chloro)methylene)-2-benzofuran-1(3H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664741	.	.	.	.	356.8	C23H13ClO2	26.3	575	6.4	26	0	2	1	InChI=1S/C23H13ClO2/c24-21(22-18-11-5-6-12-19(18)23(25)26-22)20-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)20/h1-13H/b22-21+	C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C(=C\\4/C5=CC=CC=C5C(=O)O4)/Cl	ATVGZQGJWVXZJF-QURGRASLSA-N
DG61069	2-Iodo-2-(2-methylcyclopentylidene)-1-phenylethanone	3004942	NSC664742; (E/Z)-2-Iodo-2-(2'-methylcyclopentylidene)-1-phenylethanone; 2-Iodo-2-(2-methylcyclopentylidene)-1-phenylethanone; CHEMBL1979237; NSC-664742; (2Z)-2-iodo-2-(2-methylcyclopentylidene)-1-phenyl-ethanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664742	.	.	.	.	326.17	C14H15IO	17.1	300	4.1	16	0	1	2	"InChI=1S/C14H15IO/c1-10-6-5-9-12(10)13(15)14(16)11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3/b13-12-"	CC\\1CCC/C1=C(\\C(=O)C2=CC=CC=C2)/I	VQEZOBPGGPIDKI-SEYXRHQNSA-N
DG61070	"2-(Bromo(iodo)methylene)-1,8,8-trimethylbicyclo[3.2.1]octan-3-one"	3004943	"NSC664946; SCHEMBL9123611; (4E)-4-[bromo(iodo)methylene]-5,8,8-trimethyl-bicyclo[3.2.1]octan-3-one; 2-(Bromo(iodo)methylene)-1,8,8-trimethylbicyclo[3.2.1]octan-3-one; {2-[(Z)-Bromoiodomethylidene]-1,8,8-trimethylbicyclo[3.2.1]} octan-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664946	.	.	.	.	383.06	C12H16BrIO	17.1	359	4.2	15	0	1	0	"InChI=1S/C12H16BrIO/c1-11(2)7-4-5-12(11,3)9(10(13)14)8(15)6-7/h7H,4-6H2,1-3H3/b10-9-"	CC1(C2CCC1(/C(=C(/Br)\\I)/C(=O)C2)C)C	VAHZRVBELPSBEY-KTKRTIGZSA-N
DG61071	"N-[(1E)-1,3,4,4-tetrachloro-1-nitrobuta-1,3-dien-2-yl]aniline"	3004946	"NSC665086; C10H6Cl4N2O2; CHEMBL2004371; N-[(1E)-1,3,4,4-tetrachloro-1-nitrobuta-1,3-dien-2-yl]aniline; STL581303; ZINC13739082; AKOS030506370; NSC-665086; N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline; (2-Anilino-1,3,4,4-tetrachloro-1,3-butadienyl)(hydroxy)azane oxide; 134897-31-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665086	.	.	.	.	328	C10H6Cl4N2O2	57.8	380	5.6	18	1	3	3	"InChI=1S/C10H6Cl4N2O2/c11-7(9(12)13)8(10(14)16(17)18)15-6-4-2-1-3-5-6/h1-5,15H/b10-8-"	C1=CC=C(C=C1)N/C(=C(\\[N+](=O)[O-])/Cl)/C(=C(Cl)Cl)Cl	DLDPTVLHFVQPFO-NTMALXAHSA-N
DG61072	"1-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]piperidine"	3004947	"NSC665087; CHEMBL1991548; NSC-665087; 1-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]piperidine; 1-(2,3,3-Trichloro-1-(chloro(hydroxy(oxido)amino)methylene)-2-propenyl)piperidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665087	.	.	.	.	320	C9H10Cl4N2O2	49.1	366	4.5	17	0	3	2	InChI=1S/C9H10Cl4N2O2/c10-6(8(11)12)7(9(13)15(16)17)14-4-2-1-3-5-14/h1-5H2/b9-7-	C1CCN(CC1)/C(=C(\\[N+](=O)[O-])/Cl)/C(=C(Cl)Cl)Cl	VOZWCKGHLLJQCB-CLFYSBASSA-N
DG61073	"4-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]morpholine"	3004948	"NSC665088; CHEMBL1978341; NSC-665088; 4-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]morpholine; 4-(2,3,3-Trichloro-1-(chloro(hydroxy(oxido)amino)methylene)-2-propenyl)morpholine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665088	.	.	.	.	322	C8H8Cl4N2O3	58.3	368	3.2	17	0	4	2	InChI=1S/C8H8Cl4N2O3/c9-5(7(10)11)6(8(12)14(15)16)13-1-3-17-4-2-13/h1-4H2/b8-6-	C1COCCN1/C(=C(\\[N+](=O)[O-])/Cl)/C(=C(Cl)Cl)Cl	CLBVOUZCUNLNNN-VURMDHGXSA-N
DG61074	"2-[[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]amino]ethanol"	3004949	"NSC665089; MLS002702155; CHEMBL2004190; ZINC27271933; NSC-665089; 2-[[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]amino]ethanol; 2-((2,3,3-Trichloro-1-(chloro(hydroxy(oxido)amino)methylene)-2-propenyl)amino)ethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665089	.	.	.	.	295.9	C6H6Cl4N2O3	78.1	306	2.8	15	2	4	4	"InChI=1S/C6H6Cl4N2O3/c7-3(5(8)9)4(11-1-2-13)6(10)12(14)15/h11,13H,1-2H2/b6-4-"	C(CO)N/C(=C(\\[N+](=O)[O-])/Cl)/C(=C(Cl)Cl)Cl	IKEHHZJSTQEECQ-XQRVVYSFSA-N
DG61075	"1,3-Butadiene, 1,1,2,4-tetrachloro-3-nitro-4-(phenylthio)-"	3004955	"NSC665102; ZINC1640443; 1,3-Butadiene, 1,1,2,4-tetrachloro-3-nitro-4-(phenylthio)-; [(1Z)-1,3,4,4-tetrachloro-2-nitro-buta-1,3-dienyl]sulfanylbenzene; Hydroxy(2,3,3-trichloro-1-(chloro(phenylthio)methylene)-2-propenyl)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665102	.	.	.	.	345	C10H5Cl4NO2S	71.1	382	5.6	18	0	3	3	InChI=1S/C10H5Cl4NO2S/c11-7(9(12)13)8(15(16)17)10(14)18-6-4-2-1-3-5-6/h1-5H/b10-8+	C1=CC=C(C=C1)S/C(=C(\\C(=C(Cl)Cl)Cl)/[N+](=O)[O-])/Cl	NIFFNYXRSDRUQE-CSKARUKUSA-N
DG61076	2-((4-Fluorophenoxy)methylene)quinuclidin-3-one	3004964	NSC665684; CHEMBL1983251; ZINC1640673; NSC-665684; 2-((4-Fluorophenoxy)methylene)quinuclidin-3-one; (2E)-2-[(4-fluorophenoxy)methylene]quinuclidin-3-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665684	.	.	.	.	247.26	C14H14FNO2	29.5	353	2.5	18	0	4	2	"InChI=1S/C14H14FNO2/c15-11-1-3-12(4-2-11)18-9-13-14(17)10-5-7-16(13)8-6-10/h1-4,9-10H,5-8H2/b13-9+"	C1CN\\2CCC1C(=O)/C2=C\\OC3=CC=C(C=C3)F	ZVYIHCRICITZFO-UKTHLTGXSA-N
DG61077	"5-(1,3-Benzodioxol-5-yl)isothiazole-3-thione"	3004965	"NSC665735; CHEMBL1976380; NSC-665735; NCI60_022719; 5-(1,3-benzodioxol-5-yl)isothiazole-3-thione; 5-(1,3-Benzodioxol-5-yl)-3(2H)-isothiazolethione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665735	.	.	.	.	237.3	C10H7NO2S2	87.9	319	1.9	15	1	4	1	"InChI=1S/C10H7NO2S2/c14-10-4-9(15-11-10)6-1-2-7-8(3-6)13-5-12-7/h1-4H,5H2,(H,11,14)"	C1OC2=C(O1)C=C(C=C2)C3=CC(=S)NS3	QRJQDQCLOCDBTC-UHFFFAOYSA-N
DG61078	2-(1-Adamantylcarbonyl)-N-cyclohexylhydrazinecarbothioamide	3004968	"NSC665946; 2-(1-Adamantylcarbonyl)-N-cyclohexylhydrazinecarbothioamide; CHEMBL1983320; ZINC5566719; STK664352; AKOS003390173; MCULE-4233016972; NSC-665946; NCI60_022874; 1-(adamantane-1-carbonylamino)-3-cyclohexyl-thiourea; N-cyclohexyl-2-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)hydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665946	.	.	.	.	335.5	C18H29N3OS	85.2	445	3.9	23	3	2	2	"InChI=1S/C18H29N3OS/c22-16(20-21-17(23)19-15-4-2-1-3-5-15)18-9-12-6-13(10-18)8-14(7-12)11-18/h12-15H,1-11H2,(H,20,22)(H2,19,21,23)"	C1CCC(CC1)NC(=S)NNC(=O)C23CC4CC(C2)CC(C4)C3	ZOLMGNOMKCVWKK-UHFFFAOYSA-N
DG61079	1-(Adamantane-1-carbonylamino)-3-phenyl-thiourea	3004969	"NSC665947; SCHEMBL5092145; CHEMBL1974151; STL508685; AKOS037489796; NSC-665947; NCI60_022875; 1-(adamantane-1-carbonylamino)-3-phenyl-thiourea; 1-(1-adamantylcarbonyl)-4-phenyl thiosemicarbazide; 2-(1-Adamantylcarbonyl)-N-phenylhydrazinecarbothioamide; N-phenyl-2-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)hydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665947	.	.	.	.	329.5	C18H23N3OS	85.2	445	3.6	23	3	2	2	"InChI=1S/C18H23N3OS/c22-16(20-21-17(23)19-15-4-2-1-3-5-15)18-9-12-6-13(10-18)8-14(7-12)11-18/h1-5,12-14H,6-11H2,(H,20,22)(H2,19,21,23)"	C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=S)NC4=CC=CC=C4	FHEDTWXEHBPTNW-UHFFFAOYSA-N
DG61080	1-(Adamantane-1-carbonylamino)-3-(4-chlorophenyl)thiourea	3004970	NSC665948; CHEMBL1965371; 1-(adamantane-1-carbonylamino)-3-(4-chlorophenyl)thiourea; NSC-665948; NCI60_022876; 2-(1-Adamantylcarbonyl)-N-(4-chlorophenyl)hydrazinecarbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665948	.	.	.	.	363.9	C18H22ClN3OS	85.2	477	4.2	24	3	2	2	"InChI=1S/C18H22ClN3OS/c19-14-1-3-15(4-2-14)20-17(24)22-21-16(23)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,21,23)(H2,20,22,24)"	C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=S)NC4=CC=C(C=C4)Cl	DMVXCEBKPSNZAK-UHFFFAOYSA-N
DG61081	"3-(1-adamantyl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione"	3004972	"NSC665951; CHEMBL2004450; 3-(1-adamantyl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione; NSC-665951; NCI60_022879; 3-(Adamantan-1-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione; 5-(1-Adamantyl)-4-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665951	.	.	.	.	345.9	C18H20ClN3S	59.7	511	4.7	23	1	2	2	"InChI=1S/C18H20ClN3S/c19-14-1-3-15(4-2-14)22-16(20-21-17(22)23)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,21,23)"	C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4C5=CC=C(C=C5)Cl	IGAXOKSDONAODE-UHFFFAOYSA-N
DG61082	"N-[(3-cyano-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)carbamothioyl]benzamide"	3004991	"NSC667072; CHEMBL1967142; N-[(3-cyano-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)carbamothioyl]benzamide; NSC-667072; NCI60_023379; N-Benzoyl-N'-(3-cyano-4-phenyl-5,6,7,8-tetrahydro-2-quinolinyl)thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667072	.	.	.	.	412.5	C24H20N4OS	110	661	5.4	30	2	4	3	"InChI=1S/C24H20N4OS/c25-15-19-21(16-9-3-1-4-10-16)18-13-7-8-14-20(18)26-22(19)27-24(30)28-23(29)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-14H2,(H2,26,27,28,29,30)"	C1CCC2=C(C1)C(=C(C(=N2)NC(=S)NC(=O)C3=CC=CC=C3)C#N)C4=CC=CC=C4	OETDQHXWKYUVDR-UHFFFAOYSA-N
DG61083	"5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile"	3004998	"NSC667378; CHEMBL1980273; NSC-667378; NCI60_023426; 5-amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile; 5-Amino-2-thioxo-2,3-dihydro-1H-imidazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667378	.	.	.	.	140.17	C4H4N4S	106	232	-0.2	9	3	3	0	"InChI=1S/C4H4N4S/c5-1-2-3(6)8-4(9)7-2/h6H2,(H2,7,8,9)"	C(#N)C1=C(NC(=S)N1)N	ARWNVZNLASAGOR-UHFFFAOYSA-N
DG61084	"2-phenyl-4H-1,4-benzothiazine-3-thione"	3004999	"NSC667456; 2-Phenyl-2H-1,4-benzothiazine-3(4H)-thione; 2-phenyl-4H-1,4-benzothiazine-3-thione; CHEMBL1971577; NSC-667456; NCI60_023447"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667456	.	.	.	.	257.399	C14H11NS2	69.4	286	3.7	17	1	2	1	"InChI=1S/C14H11NS2/c16-14-13(10-6-2-1-3-7-10)17-12-9-5-4-8-11(12)15-14/h1-9,13H,(H,15,16)"	C1=CC=C(C=C1)C2C(=S)NC3=CC=CC=C3S2	OIBQUGLWNLRKKW-UHFFFAOYSA-N
DG61085	"7-chloro-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione"	3005001	"NSC667460; CHEMBL1970886; 7-chloro-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione; NSC-667460; NCI60_023451; 7-Chloro-2-phenyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667460	.	.	.	.	305.8	C15H12ClNS2	69.4	330	4.1	19	1	2	1	"InChI=1S/C15H12ClNS2/c16-11-6-7-13-12(8-11)17-15(18)9-14(19-13)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,17,18)"	C1C(SC2=C(C=C(C=C2)Cl)NC1=S)C3=CC=CC=C3	WYMZGMUKKHWDQH-UHFFFAOYSA-N
DG61086	"8-chloro-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione"	3005002	"NSC667461; CHEMBL1984684; 8-chloro-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione; NSC-667461; NCI60_023452; 8-Chloro-2-phenyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667461	.	.	.	.	305.8	C15H12ClNS2	69.4	330	4.1	19	1	2	1	"InChI=1S/C15H12ClNS2/c16-11-6-7-12-14(8-11)19-13(9-15(18)17-12)10-4-2-1-3-5-10/h1-8,13H,9H2,(H,17,18)"	C1C(SC2=C(C=CC(=C2)Cl)NC1=S)C3=CC=CC=C3	XQEPBFCWLOZDIO-UHFFFAOYSA-N
DG61087	"3,5-dihydro-2H-benzo[i][1,5]benzothiazepine-4-thione"	3005007	"NSC667468; 3,5-dihydro-2H-benzo[i][1,5]benzothiazepine-4-thione; CHEMBL1987631; NSC-667468; NCI60_023459; 2,3-Dihydronaphtho[1,2-b][1,4]thiazepine-4(5H)-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667468	.	.	.	.	245.4	C13H11NS2	69.4	279	3.2	16	1	2	0	"InChI=1S/C13H11NS2/c15-12-7-8-16-13-10-4-2-1-3-9(10)5-6-11(13)14-12/h1-6H,7-8H2,(H,14,15)"	C1CSC2=C(C=CC3=CC=CC=C32)NC1=S	WSPRARVJWWTPTP-UHFFFAOYSA-N
DG61088	NSC667646	3005009	"1-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylsulfanylmethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]thiourea; NSC667646; CHEMBL1964436; NSC-667646; NCI60_023546; 1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanylmethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]thiourea; N-(((((3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)thio)methyl)amino)carbothioyl)hexopyranosylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667646	.	.	.	.	630.4	C16H19F13N2O5S2	172	821	3.4	38	6	20	11	"InChI=1S/C16H19F13N2O5S2/c17-11(18,12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29)1-2-38-4-30-10(37)31-9-8(35)7(34)6(33)5(3-32)36-9/h5-9,32-35H,1-4H2,(H2,30,31,37)"	C(CSCNC(=S)NC1C(C(C(C(O1)CO)O)O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	IFIJMYQOIRJDHF-UHFFFAOYSA-N
DG61089	1-(2-chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea	3005057	"NSC668497; CHEMBL1762446; AKOS034360415; MCULE-9291227763; NSC-668497; NCI60_023927; Z44893431; 1H-Indole-2,3-dione 3-(N-(2-chlorophenyl)thiosemicarbazone); 1-(2-chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea; 1-(2-chlorophenyl)-3-[(2-oxo-2,3-dihydro-1H-indol-3-ylidene)amino]thiourea; 380577-78-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668497	.	.	.	.	330.8	C15H11ClN4OS	105	436	4.6	22	3	3	2	"InChI=1S/C15H11ClN4OS/c16-10-6-2-4-8-12(10)18-15(22)20-19-13-9-5-1-3-7-11(9)17-14(13)21/h1-8,17,21H,(H,18,22)"	C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)NC3=CC=CC=C3Cl	GYDJAIGSHYMAKI-UHFFFAOYSA-N
DG61090	1-(3-chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea	3005058	"NSC668498; CHEMBL1762447; NSC-668498; NCI60_023928; 1H-Indole-2,3-dione 3-(N-(3-chlorophenyl)thiosemicarbazone); 1-(3-chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668498	.	.	.	.	330.8	C15H11ClN4OS	105	436	4.6	22	3	3	2	"InChI=1S/C15H11ClN4OS/c16-9-4-3-5-10(8-9)17-15(22)20-19-13-11-6-1-2-7-12(11)18-14(13)21/h1-8,18,21H,(H,17,22)"	C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)NC3=CC(=CC=C3)Cl	BCBCNPJJPUEHIE-UHFFFAOYSA-N
DG61091	1-(4-chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea	3005059	"NSC668499; CHEMBL1762448; SCHEMBL10085722; AKOS003810779; NSC-668499; NCI60_023929; 3-[4-(4-Chlorophenyl)thiosemicarbazono]indoline-2-one; 1H-Indole-2,3-dione 3-(N-(4-chlorophenyl)thiosemicarbazone); 1-(4-chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668499	.	.	.	.	330.8	C15H11ClN4OS	105	428	4.6	22	3	3	2	"InChI=1S/C15H11ClN4OS/c16-9-5-7-10(8-6-9)17-15(22)20-19-13-11-3-1-2-4-12(11)18-14(13)21/h1-8,18,21H,(H,17,22)"	C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)NC3=CC=C(C=C3)Cl	IDSHYPMNWDCYON-UHFFFAOYSA-N
DG61092	"7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-thieno[3,4-d]pyrimidine-4-thione"	3005067	"NSC670036; CHEMBL1995964; NSC-670036; NCI60_024534; Pentitol, 1,4-anhydro-1-C-(3,4-dihydro-4-thioxothieno[3,4-d]pyrimidin-7-yl)-; 7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-thieno[3,4-d]pyrimidine-4-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670036	.	.	.	.	300.4	C11H12N2O4S2	155	408	-0.8	19	4	6	2	"InChI=1S/C11H12N2O4S2/c14-1-5-7(15)8(16)9(17-5)10-6-4(2-19-10)11(18)13-3-12-6/h2-3,5,7-9,14-16H,1H2,(H,12,13,18)"	C1=C2C(=C(S1)C3C(C(C(O3)CO)O)O)NC=NC2=S	WNIQCHQWBKTBCU-UHFFFAOYSA-N
DG61093	4-Chloro-2-(2-mercapto-6-phenyl-4-pyrimidinyl)phenol	3005076	NSC670269; CHEMBL1981196; ZINC1855319; NSC-670269; NCI60_024689; 4-Chloro-2-(2-mercapto-6-phenyl-4-pyrimidinyl)phenol; 4-chloro-2-(6-phenyl-2-sulfanyl-pyrimidin-4-yl)phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670269	.	.	.	.	314.8	C16H11ClN2OS	76.7	471	3.8	21	2	2	2	"InChI=1S/C16H11ClN2OS/c17-11-6-7-15(20)12(8-11)14-9-13(18-16(21)19-14)10-4-2-1-3-5-10/h1-9,20H,(H,18,19,21)"	C1=CC=C(C=C1)C2=NC(=S)NC(=C2)C3=C(C=CC(=C3)Cl)O	KKEOTAJRTYTASO-UHFFFAOYSA-N
DG61094	"9-[(Z)-Bromoiodomethylidene]-9,10-dihydrophenanthrene-10-one"	3005079	"NSC670789; CHEMBL1993274; ZINC6003818; NSC-670789; 10-(Bromo(iodo)methylene)-9(10H)-phenanthrenone; (10Z)-10-[bromo(iodo)methylene]phenanthren-9-one; 9-[(Z)-Bromoiodomethylidene]-9,10-dihydrophenanthrene-10-one; {9-[(Z)-Bromoiodomethylidene]-9,10-dihydrophenanthrene-10-one}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670789	.	.	.	.	411.03	C15H8BrIO	17.1	390	4.6	18	0	1	0	InChI=1S/C15H8BrIO/c16-15(17)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)18/h1-8H/b15-13-	C1=CC=C\\2C(=C1)C3=CC=CC=C3C(=O)/C2=C(/Br)\\I	LCNOYWWCZYMTFN-SQFISAMPSA-N
DG61095	1-[(Z)-(2-oxoindolin-3-ylidene)amino]-3-(2-pyridylmethyl)thiourea	3005083	"NSC670961; CHEMBL1985981; NSC-670961; NCI60_024998; 1-[(Z)-(2-oxoindolin-3-ylidene)amino]-3-(2-pyridylmethyl)thiourea; 1H-Indole-2,3-dione 3-(N-(2-pyridinylmethyl)thiosemicarbazone)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670961	.	.	.	.	311.4	C15H13N5OS	118	419	2.9	22	3	4	3	"InChI=1S/C15H13N5OS/c21-14-13(11-6-1-2-7-12(11)18-14)19-20-15(22)17-9-10-5-3-4-8-16-10/h1-8,18,21H,9H2,(H,17,22)"	C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)NCC3=CC=CC=N3	FUTJYDAPPGEYIK-UHFFFAOYSA-N
DG61096	Methyl 3-ethoxy-2-((4-methylphenyl)sulfonyl)acrylate	3005099	NSC671466; CHEMBL1990205; NSC-671466; Methyl 3-ethoxy-2-((4-methylphenyl)sulfonyl)acrylate; methyl (E)-3-ethoxy-2-(p-tolylsulfonyl)prop-2-enoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671466	.	.	.	.	284.33	C13H16O5S	78	424	2.1	19	0	5	6	"InChI=1S/C13H16O5S/c1-4-18-9-12(13(14)17-3)19(15,16)11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3/b12-9+"	CCO/C=C(\\C(=O)OC)/S(=O)(=O)C1=CC=C(C=C1)C	PAEROHPMMFDRAF-FMIVXFBMSA-N
DG61097	"10-Ethyl-3-phenyl-1,5-dihydropyrazolo[4,3-c][1,5]benzodiazepine-4-thione"	3005109	"NSC672303; CHEMBL1972458; ZINC5742069; NSC-672303; NCI60_025710; 10-ethyl-3-phenyl-1,5-dihydropyrazolo[4,3-c][1,5]benzodiazepine-4-thione; 10-Ethyl-3-phenyl-5,10-dihydropyrazolo[3,4-b][1,5]benzodiazepine-4(1H)-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672303	.	.	.	.	320.4	C18H16N4S	76	437	3.8	23	2	3	2	"InChI=1S/C18H16N4S/c1-2-22-14-11-7-6-10-13(14)19-18(23)15-16(20-21-17(15)22)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,19,23)(H,20,21)"	CCN1C2=CC=CC=C2NC(=S)C3=C(NN=C31)C4=CC=CC=C4	RPLNRJMURRFZDQ-UHFFFAOYSA-N
DG61098	"[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl] thiocyanate"	3005114	"NSC673144; CHEMBL1988664; ZINC1856738; NSC-673144; [(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl] thiocyanate; 2,3,3-Trichloro-1-(chloro(hydroxy(oxido)amino)methylene)-2-propenyl thiocyanate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673144	.	.	.	.	293.9	C5Cl4N2O2S	94.9	360	4.1	14	0	4	2	InChI=1S/C5Cl4N2O2S/c6-2(4(7)8)3(14-1-10)5(9)11(12)13/b5-3-	C(#N)S/C(=C(\\[N+](=O)[O-])/Cl)/C(=C(Cl)Cl)Cl	IYHWWIRFHIBTPC-HYXAFXHYSA-N
DG61099	Ethyl 3-amino-2-(anilinocarbothioyl)-3-(1-pyrrolidinyl)acrylate	3005134	NSC675880; CHEMBL1997865; ZINC103009999; NSC-675880; Ethyl 3-amino-2-(anilinocarbothioyl)-3-(1-pyrrolidinyl)acrylate; ethyl (E)-3-amino-2-(phenylcarbamothioyl)-3-pyrrolidin-1-yl-prop-2-enoate; 2-[(Phenylamino)(thiocarbonyl)]-3-amino-3-(pyrrolidine-1-yl)propenoic acid ethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675880	.	.	.	.	319.4	C16H21N3O2S	99.7	439	3.1	22	2	5	6	"InChI=1S/C16H21N3O2S/c1-2-21-16(20)13(14(17)19-10-6-7-11-19)15(22)18-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11,17H2,1H3,(H,18,22)/b14-13-"	CCOC(=O)/C(=C(/N)\\N1CCCC1)/C(=S)NC2=CC=CC=C2	XCDGPQIDIMTWLQ-YPKPFQOOSA-N
DG61100	2-Mercapto-6-(2-(2-naphthyl)hydrazino)-4-pyrimidinol	3005144	NSC677257; CHEMBL1975507; NSC-677257; NCI60_027576; 2-Mercapto-6-(2-(2-naphthyl)hydrazino)-4-pyrimidinol; 6-[2-(2-naphthyl)hydrazino]-2-sulfanyl-pyrimidin-4-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677257	.	.	.	.	284.34	C14H12N4OS	97.3	437	2.9	20	4	4	3	"InChI=1S/C14H12N4OS/c19-13-8-12(15-14(20)16-13)18-17-11-6-5-9-3-1-2-4-10(9)7-11/h1-8,17H,(H3,15,16,18,19,20)"	C1=CC=C2C=C(C=CC2=C1)NNC3=CC(=O)NC(=S)N3	SFFKXJBVFDFYSS-UHFFFAOYSA-N
DG61101	6-(2-(3-Fluorophenyl)hydrazino)-2-mercapto-4-pyrimidinol	3005145	NSC677258; CHEMBL1988389; NSC-677258; NCI60_027577; 6-(2-(3-Fluorophenyl)hydrazino)-2-mercapto-4-pyrimidinol; 6-[2-(3-fluorophenyl)hydrazino]-2-sulfanyl-pyrimidin-4-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677258	.	.	.	.	252.27	C10H9FN4OS	97.3	360	1.8	17	4	5	3	"InChI=1S/C10H9FN4OS/c11-6-2-1-3-7(4-6)14-15-8-5-9(16)13-10(17)12-8/h1-5,14H,(H3,12,13,15,16,17)"	C1=CC(=CC(=C1)F)NNC2=CC(=O)NC(=S)N2	IGMIEXHTRBYSBU-UHFFFAOYSA-N
DG61102	2-Mercapto-6-(2-phenylhydrazino)-4-pyrimidinol	3005146	NSC677260; CHEMBL1996781; NSC-677260; NCI60_027579; 2-Mercapto-6-(2-phenylhydrazino)-4-pyrimidinol; 6-(2-phenylhydrazino)-2-sulfanyl-pyrimidin-4-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677260	.	.	.	.	234.28	C10H10N4OS	97.3	323	1.7	16	4	4	3	"InChI=1S/C10H10N4OS/c15-9-6-8(11-10(16)12-9)14-13-7-4-2-1-3-5-7/h1-6,13H,(H3,11,12,14,15,16)"	C1=CC=C(C=C1)NNC2=CC(=O)NC(=S)N2	MVVORFAGIYLNMA-UHFFFAOYSA-N
DG61103	6-((4-Bromophenyl)diazenyl)-2-mercapto-4-pyrimidinol	3005147	NSC677261; CHEMBL1998807; NSC-677261; NCI60_027580; 6-((4-Bromophenyl)diazenyl)-2-mercapto-4-pyrimidinol; 6-[(E)-(4-bromophenyl)azo]-2-sulfanyl-pyrimidin-4-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677261	.	.	.	.	311.16	C10H7BrN4OS	97.9	388	2.3	17	2	4	2	"InChI=1S/C10H7BrN4OS/c11-6-1-3-7(4-2-6)14-15-8-5-9(16)13-10(17)12-8/h1-5H,(H2,12,13,16,17)"	C1=CC(=CC=C1N=NC2=CC(=O)NC(=S)N2)Br	IFKBPRPRSUOAMP-UHFFFAOYSA-N
DG61104	"[(3,4,5-Trimethoxyphenyl)methylamino]thiourea"	3005151	"NSC677630; [(3,4,5-trimethoxyphenyl)methylamino]thiourea; CHEMBL1990549; NSC-677630; NCI60_027708; 1-(3,4,5-Trimethoxybenzyl)isothiosemicarbazide; 2-(3,4,5-Trimethoxybenzyl)hydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677630	.	.	.	.	271.34	C11H17N3O3S	110	254	0.7	18	3	5	6	"InChI=1S/C11H17N3O3S/c1-15-8-4-7(6-13-14-11(12)18)5-9(16-2)10(8)17-3/h4-5,13H,6H2,1-3H3,(H3,12,14,18)"	COC1=CC(=CC(=C1OC)OC)CNNC(=S)N	NGOKNDZTHQMCKY-UHFFFAOYSA-N
DG61105	"(1-((Benzylthio)(chloro)methylene)-3-bromo-2,3-dichloro-2-propenyl)(hydroxy)azane oxide"	3005153	"NSC678032; (1-((Benzylthio)(chloro)methylene)-3-bromo-2,3-dichloro-2-propenyl)(hydroxy)azane oxide; [(1Z,3E)-4-bromo-1,3,4-trichloro-2-nitro-buta-1,3-dienyl]sulfanylmethylbenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678032	.	.	.	.	403.5	C11H7BrCl3NO2S	71.1	403	5.6	19	0	3	4	"InChI=1S/C11H7BrCl3NO2S/c12-10(14)8(13)9(16(17)18)11(15)19-6-7-4-2-1-3-5-7/h1-5H,6H2/b10-8-,11-9+"	C1=CC=C(C=C1)CS/C(=C(\\C(=C(\\Cl)/Br)\\Cl)/[N+](=O)[O-])/Cl	PIJDKZLUMSPLSQ-PNQPDEHRSA-N
DG61106	"2-((4-Bromo-1,3,4-trichloro-2-(hydroxy(oxido)amino)-1,3-butadienyl)amino)ethanol"	3005155	"NSC678034; 2-((4-Bromo-1,3,4-trichloro-2-(hydroxy(oxido)amino)-1,3-butadienyl)amino)ethanol; 2-[[(1E,3Z)-4-bromo-1,3,4-trichloro-2-nitro-buta-1,3-dienyl]amino]ethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678034	.	.	.	.	340.4	C6H6BrCl3N2O3	78.1	313	2.9	15	2	4	4	"InChI=1S/C6H6BrCl3N2O3/c7-5(9)3(8)4(12(14)15)6(10)11-1-2-13/h11,13H,1-2H2/b5-3+,6-4-"	C(CO)N/C(=C(/C(=C(\\Cl)/Br)/Cl)\\[N+](=O)[O-])/Cl	OKDDJUDWZYVTDG-UZNMPDEFSA-N
DG61107	"(1-((Benzylthio)(bromo)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide"	3005156	"NSC678035; ZINC1647123; (1-((Benzylthio)(bromo)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide; [(1Z)-1-bromo-3,4,4-trichloro-2-nitro-buta-1,3-dienyl]sulfanylmethylbenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678035	.	.	.	.	403.5	C11H7BrCl3NO2S	71.1	399	5.6	19	0	3	4	"InChI=1S/C11H7BrCl3NO2S/c12-10(9(16(17)18)8(13)11(14)15)19-6-7-4-2-1-3-5-7/h1-5H,6H2/b10-9+"	C1=CC=C(C=C1)CS/C(=C(\\C(=C(Cl)Cl)Cl)/[N+](=O)[O-])/Br	SQFBMGHDLVIEFP-MDZDMXLPSA-N
DG61108	"[3,4,5-Triacetoxy-6-(2-amino-3,5-dicyano-4-phenyl-6-thioxo-1-pyridyl)tetrahydropyran-2-yl]methyl acetate"	3005161	"NSC678063; CHEMBL1975502; NSC-678063; NCI60_027934; [3,4,5-triacetoxy-6-(2-amino-3,5-dicyano-4-phenyl-6-thioxo-1-pyridyl)tetrahydropyran-2-yl]methyl acetate; 3,5-Pyridinedicarbonitrile, 6-amino-1,2-dihydro-4-phenyl-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-2-thioxo-; Pyridine-3, 6-amino- 1-(.beta.-D-glucopyranosyl)-1,2-dihydro-4-phenyl- 2-thioxo-, 2',3',4',6'-tetraacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678063	.	.	.	.	582.6	C27H26N4O9S	223	1280	1.2	41	1	13	11	"InChI=1S/C27H26N4O9S/c1-13(32)36-12-20-22(37-14(2)33)23(38-15(3)34)24(39-16(4)35)26(40-20)31-25(30)18(10-28)21(19(11-29)27(31)41)17-8-6-5-7-9-17/h5-9,20,22-24,26H,12,30H2,1-4H3"	CC(=O)OCC1C(C(C(C(O1)N2C(=C(C(=C(C2=S)C#N)C3=CC=CC=C3)C#N)N)OC(=O)C)OC(=O)C)OC(=O)C	JGVIYIYNZNGBRS-UHFFFAOYSA-N
DG61109	"5,7-Dihydroquinolino[3,2-d][1]benzazepine-6-thione"	3005168	"NSC679092; 5,7-dihydroquinolino[3,2-d][1]benzazepine-6-thione; CHEMBL1995752; NSC-679092; NCI60_028282; 5H-Quino[3,2-d][1]benzazepine-6(7H)-thione; 5,7-Dihydro-6H-quino[3,2-d][1]benzazepine-6-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679092	.	.	.	.	276.4	C17H12N2S	57	383	3.3	20	1	2	0	"InChI=1S/C17H12N2S/c20-16-10-12-9-11-5-1-3-7-14(11)19-17(12)13-6-2-4-8-15(13)18-16/h1-9H,10H2,(H,18,20)"	C1C2=CC3=CC=CC=C3N=C2C4=CC=CC=C4NC1=S	IQJXCSSFHCGRMU-UHFFFAOYSA-N
DG61110	"1-(4-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiourea"	3005174	"NSC679229; CHEMBL1983856; NSC-679229; NCI60_028348; 1-(4-chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiourea; N-(4-Chlorophenyl)-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679229	.	.	.	.	347.9	C16H14ClN3S2	108	456	5.2	22	2	3	2	"InChI=1S/C16H14ClN3S2/c17-10-5-7-11(8-6-10)19-16(21)20-15-13(9-18)12-3-1-2-4-14(12)22-15/h5-8H,1-4H2,(H2,19,20,21)"	C1CCC2=C(C1)C(=C(S2)NC(=S)NC3=CC=C(C=C3)Cl)C#N	PZGNMVIJICYTHG-UHFFFAOYSA-N
DG61111	1-[4-(Benzamidocarbamoyl)thiazol-2-yl]-3-butyl-thiourea	3005191	"NSC681621; CHEMBL1971136; NSC-681621; NCI60_029146; 1-[4-(benzamidocarbamoyl)thiazol-2-yl]-3-butyl-thiourea; N-(4-((2-Benzoylhydrazino)carbonyl)-1,3-thiazol-2-yl)-N'-butylthiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681621	.	.	.	.	377.5	C16H19N5O2S2	156	471	2.9	25	4	5	6	"InChI=1S/C16H19N5O2S2/c1-2-3-9-17-15(24)19-16-18-12(10-25-16)14(23)21-20-13(22)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,20,22)(H,21,23)(H2,17,18,19,24)"	CCCCNC(=S)NC1=NC(=CS1)C(=O)NNC(=O)C2=CC=CC=C2	QPPVOPRCFMANPP-UHFFFAOYSA-N
DG61112	1-[4-(Benzenesulfonamidocarbamoyl)thiazol-2-yl]-3-cyclohexyl-thiourea	3005192	"NSC681622; CHEMBL1968136; NSC-681622; NCI60_029147; 1-[4-(benzenesulfonamidocarbamoyl)thiazol-2-yl]-3-cyclohexyl-thiourea; N-Cyclohexyl-N'-(4-((2-(phenylsulfonyl)hydrazino)carbonyl)-1,3-thiazol-2-yl)thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681622	.	.	.	.	439.6	C17H21N5O3S3	181	643	3.2	28	4	7	6	"InChI=1S/C17H21N5O3S3/c23-15(21-22-28(24,25)13-9-5-2-6-10-13)14-11-27-17(19-14)20-16(26)18-12-7-3-1-4-8-12/h2,5-6,9-12,22H,1,3-4,7-8H2,(H,21,23)(H2,18,19,20,26)"	C1CCC(CC1)NC(=S)NC2=NC(=CS2)C(=O)NNS(=O)(=O)C3=CC=CC=C3	MBUZPQGGSYLBAA-UHFFFAOYSA-N
DG61113	1-[4-(Benzamidocarbamoyl)thiazol-2-yl]-3-cyclohexyl-thiourea	3005193	"NSC681623; CHEMBL1964695; NSC-681623; NCI60_029148; 1-[4-(benzamidocarbamoyl)thiazol-2-yl]-3-cyclohexyl-thiourea; N-(4-((2-Benzoylhydrazino)carbonyl)-1,3-thiazol-2-yl)-N'-cyclohexylthiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681623	.	.	.	.	403.5	C18H21N5O2S2	156	536	3.5	27	4	5	4	"InChI=1S/C18H21N5O2S2/c24-15(12-7-3-1-4-8-12)22-23-16(25)14-11-27-18(20-14)21-17(26)19-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,22,24)(H,23,25)(H2,19,20,21,26)"	C1CCC(CC1)NC(=S)NC2=NC(=CS2)C(=O)NNC(=O)C3=CC=CC=C3	LAHSMRAWLZVJCL-UHFFFAOYSA-N
DG61114	1-Cyclohexyl-3-[4-[(ethylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea	3005198	"NSC681628; CHEMBL1965597; NSC-681628; NCI60_029153; 1-cyclohexyl-3-[4-[(ethylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea; 1-[[2-(3-Cyclohexylthioureido)thiazol-4-yl]carbonyl]-4-ethylthiosemicarbazide; 2-((2-(((Cyclohexylamino)carbothioyl)amino)-1,3-thiazol-4-yl)carbonyl)-N-ethylhydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681628	.	.	.	.	386.6	C14H22N6OS3	183	458	2.6	24	5	5	4	"InChI=1S/C14H22N6OS3/c1-2-15-12(22)20-19-11(21)10-8-24-14(17-10)18-13(23)16-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,19,21)(H2,15,20,22)(H2,16,17,18,23)"	CCNC(=S)NNC(=O)C1=CSC(=N1)NC(=S)NC2CCCCC2	IHSODJFLMAGOIR-UHFFFAOYSA-N
DG61115	1-Cyclohexyl-3-[4-[(cyclohexylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea	3005199	"NSC681629; CHEMBL1994195; NSC-681629; NCI60_029154; 1-cyclohexyl-3-[4-[(cyclohexylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea; N-Cyclohexyl-2-((2-(((cyclohexylamino)carbothioyl)amino)-1,3-thiazol-4-yl)carbonyl)hydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681629	.	.	.	.	440.7	C18H28N6OS3	183	551	4.1	28	5	5	4	"InChI=1S/C18H28N6OS3/c25-15(23-24-17(27)20-13-9-5-2-6-10-13)14-11-28-18(21-14)22-16(26)19-12-7-3-1-4-8-12/h11-13H,1-10H2,(H,23,25)(H2,20,24,27)(H2,19,21,22,26)"	C1CCC(CC1)NC(=S)NC2=NC(=CS2)C(=O)NNC(=S)NC3CCCCC3	ZDIZCNVVSWLBPD-UHFFFAOYSA-N
DG61116	1-Benzyl-3-[[2-(cyclohexylcarbamothioylamino)thiazole-4-carbonyl]amino]thiourea	3005200	"NSC681630; CHEMBL1967456; NSC-681630; NCI60_029155; 1-[[2-(3-Cyclohexylthioureido)thiazol-4-yl]carbonyl]-4-benzylthiosemicarbazide; 1-benzyl-3-[[2-(cyclohexylcarbamothioylamino)thiazole-4-carbonyl]amino]thiourea; N-Benzyl-2-((2-(((cyclohexylamino)carbothioyl)amino)-1,3-thiazol-4-yl)carbonyl)hydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681630	.	.	.	.	448.6	C19H24N6OS3	183	566	3.7	29	5	5	5	"InChI=1S/C19H24N6OS3/c26-16(24-25-17(27)20-11-13-7-3-1-4-8-13)15-12-29-19(22-15)23-18(28)21-14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,24,26)(H2,20,25,27)(H2,21,22,23,28)"	C1CCC(CC1)NC(=S)NC2=NC(=CS2)C(=O)NNC(=S)NCC3=CC=CC=C3	SLPDUWREUUGTTF-UHFFFAOYSA-N
DG61117	"4-(4-Chlorophenyl)-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepine-6-thione"	3005206	"NSC682770; CHEMBL1986947; 4-(4-chlorophenyl)-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepine-6-thione; NSC-682770; NCI60_029660; 2-Phenyl-4-(4-chlorophenyl)-1,7-diaza-5H-dibenzo[a,c]cycloheptene-6(7H)-thione; 4-(4-Chlorophenyl)-2-phenyl-5,7-dihydro-6H-pyrido[3,2-d][1]benzazepine-6-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682770	.	.	.	.	412.9	C25H17ClN2S	57	569	5.9	29	1	2	2	"InChI=1S/C25H17ClN2S/c26-18-12-10-16(11-13-18)20-14-23(17-6-2-1-3-7-17)28-25-19-8-4-5-9-22(19)27-24(29)15-21(20)25/h1-14H,15H2,(H,27,29)"	C1C2=C(C3=CC=CC=C3NC1=S)N=C(C=C2C4=CC=C(C=C4)Cl)C5=CC=CC=C5	WJZVWRUJHXZFJP-UHFFFAOYSA-N
DG61118	"2-(4-Chlorophenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepine-6-thione"	3005207	"NSC682771; CHEMBL1980352; 2-(4-chlorophenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepine-6-thione; NSC-682771; NCI60_029661; 2-(4-Chlorophenyl)-4-phenyl-1,7-diaza-5H-dibenzo[a,c]cycloheptene-6(7H)-thione; 2-(4-Chlorophenyl)-4-phenyl-5,7-dihydro-6H-pyrido[3,2-d][1]benzazepine-6-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682771	.	.	.	.	412.9	C25H17ClN2S	57	569	5.9	29	1	2	2	"InChI=1S/C25H17ClN2S/c26-18-12-10-17(11-13-18)23-14-20(16-6-2-1-3-7-16)21-15-24(29)27-22-9-5-4-8-19(22)25(21)28-23/h1-14H,15H2,(H,27,29)"	C1C2=C(C3=CC=CC=C3NC1=S)N=C(C=C2C4=CC=CC=C4)C5=CC=C(C=C5)Cl	ICVTZPMDEQDCID-UHFFFAOYSA-N
DG61119	5-(Methylthio)-1H-imidazole-4-carbothioamide	3005221	NSC684041; 5-(Methylthio)-1H-imidazole-4-carbothioamide; CHEMBL1967881; DTXSID60388270; NSC-684041; 83256-01-3; NCI60_030210; 5-methylsulfanyl-1H-imidazole-4-carbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684041	.	.	.	.	173.3	C5H7N3S2	112	139	0.7	10	2	3	2	"InChI=1S/C5H7N3S2/c1-10-5-3(4(6)9)7-2-8-5/h2H,1H3,(H2,6,9)(H,7,8)"	CSC1=C(NC=N1)C(=S)N	LEDMGHFJOFGXGH-UHFFFAOYSA-N
DG61120	"(2E)-2-(1-piperidyl)-2-(2,4,7-trinitrofluoren-9-ylidene)acetonitrile"	3005223	"NSC684130; CHEMBL1964947; NSC-684130; (2E)-2-(1-piperidyl)-2-(2,4,7-trinitrofluoren-9-ylidene)acetonitrile; 1-Piperidinyl(2,4,7-tris(hydroxy(oxido)amino)-9H-fluoren-9-ylidene)acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684130	.	.	.	.	421.4	C20H15N5O6	165	843	3.7	31	0	8	1	"InChI=1S/C20H15N5O6/c21-11-18(22-6-2-1-3-7-22)20-15-8-12(23(26)27)4-5-14(15)19-16(20)9-13(24(28)29)10-17(19)25(30)31/h4-5,8-10H,1-3,6-7H2/b20-18+"	C1CCN(CC1)/C(=C/2\\C3=C(C=CC(=C3)[N+](=O)[O-])C4=C2C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])/C#N	HTSVNUNUWJRQSL-CZIZESTLSA-N
DG61121	5-(1-(4-(Dimethylamino)phenyl)-2-phenylethyl)-2-thioxo-4-imidazolidinone	3005233	NSC684388; CHEMBL2002484; ZINC01649814; NSC-684388; NCI60_030328; 5-(1-(4-(Dimethylamino)phenyl)-2-phenylethyl)-2-thioxo-4-imidazolidinone; 5-[1-(4-dimethylaminophenyl)-2-phenyl-ethyl]-2-thioxo-imidazolidin-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684388	.	.	.	.	339.5	C19H21N3OS	76.5	454	3.4	24	2	3	5	"InChI=1S/C19H21N3OS/c1-22(2)15-10-8-14(9-11-15)16(12-13-6-4-3-5-7-13)17-18(23)21-19(24)20-17/h3-11,16-17H,12H2,1-2H3,(H2,20,21,23,24)"	CN(C)C1=CC=C(C=C1)C(CC2=CC=CC=C2)C3C(=O)NC(=S)N3	QYIJHYMUTGAMGF-UHFFFAOYSA-N
DG61122	"5-Methyl-3-(palmitoyloxy)-5-phenyl-2,4-imidazolidinedithione"	3005240	"NSC685457; CHEMBL1993295; NSC-685457; NCI60_030730; 5-Methyl-3-(palmitoyloxy)-5-phenyl-2,4-imidazolidinedithione; (4-methyl-4-phenyl-2,5-dithioxo-imidazolidin-1-yl) hexadecanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685457	.	.	.	.	476.7	C26H40N2O2S2	106	592	9.6	32	1	4	17	"InChI=1S/C26H40N2O2S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(29)30-28-24(31)26(2,27-25(28)32)22-19-16-15-17-20-22/h15-17,19-20H,3-14,18,21H2,1-2H3,(H,27,32)"	CCCCCCCCCCCCCCCC(=O)ON1C(=S)C(NC1=S)(C)C2=CC=CC=C2	KRRGUCFOEOGFPW-UHFFFAOYSA-N
DG61123	"6H-Purine-6-thione, 1,9-dihydro-2-((4-butylphenyl)amino)-"	3005246	"NSC685805; CHEMBL16129; 6H-Purine-6-thione, 1,9-dihydro-2-((4-butylphenyl)amino)-; 104715-68-6; 2-(p-n-Butylphenyl)-6-thioguanine; BRN 5581980; 1,9-Dihydro-2-((4-butylphenyl)amino)-6H-purine-6-thione; DTXSID00146674; BDBM50025595; NSC-685805; 2-(4-Butylanilino)-9H-purine-6-thiol; NCI60_030848; 2-(4-Butylanilino)-9H-purin-6-yl hydrosulfide; 2-(4-Butyl-phenylamino)-1,9-dihydro-purine-6-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685805	.	.	.	.	299.4	C15H17N5S	97.2	403	3.8	21	3	2	5	"InChI=1S/C15H17N5S/c1-2-3-4-10-5-7-11(8-6-10)18-15-19-13-12(14(21)20-15)16-9-17-13/h5-9H,2-4H2,1H3,(H3,16,17,18,19,20,21)"	CCCCC1=CC=C(C=C1)NC2=NC(=S)C3=C(N2)N=CN3	JWQSQZFFXQPOJJ-UHFFFAOYSA-N
DG61124	1-cyclohexyl-N-methyl-5-sulfanyl-triazole-4-carboxamide	3005250	"NSC686651; CHEMBL1972197; NSC-686651; NCI60_031264; 1-cyclohexyl-N-methyl-5-sulfanyl-triazole-4-carboxamide; 1-Cyclohexyl-5-mercapto-N-methyl-1H-1,2,3-triazole-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686651	.	.	.	.	240.33	C10H16N4OS	88.8	336	2.1	16	2	4	2	"InChI=1S/C10H16N4OS/c1-11-9(15)8-10(16)14(13-12-8)7-5-3-2-4-6-7/h7,13H,2-6H2,1H3,(H,11,15)"	CNC(=O)C1=NNN(C1=S)C2CCCCC2	DQFFMRIBBIEBFE-UHFFFAOYSA-N
DG61125	5-sulfanyl-1H-triazole-4-carboxylic acid	3005251	"NSC686662; CHEMBL1979235; SCHEMBL11528231; ZINC1650648; AKOS006380201; NSC-686662; 5-sulfanyl-1H-triazole-4-carboxylic acid; NCI60_031275; 5-Mercapto-1H-1,2,3-triazole-4-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686662	.	.	.	.	145.14	C3H3N3O2S	106	199	0.3	9	3	5	1	"InChI=1S/C3H3N3O2S/c7-3(8)1-2(9)5-6-4-1/h(H,7,8)(H2,4,5,6,9)"	C1(=NNNC1=S)C(=O)O	GNCPNAQCXHPXOX-UHFFFAOYSA-N
DG61126	N-dibenzofuran-3-ylthiophene-2-carbothioamide	3005257	"NSC687315; N-dibenzofuran-3-ylthiophene-2-carbothioamide; CHEMBL1977642; DTXSID00388274; NSC-687315; 164266-29-9; NCI60_031442; N-Dibenzo[b,d]furan-3-yl-2-thiophenecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687315	.	.	.	.	309.4	C17H11NOS2	85.5	402	5.1	21	1	3	2	"InChI=1S/C17H11NOS2/c20-17(16-6-3-9-21-16)18-11-7-8-13-12-4-1-2-5-14(12)19-15(13)10-11/h1-10H,(H,18,20)"	C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)NC(=S)C4=CC=CS4	GZQQAKFFXBGHQA-UHFFFAOYSA-N
DG61127	1-(4-Methoxyphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea	3005271	NSC687868; CHEMBL1980116; ZINC1651141; 1-(4-methoxyphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea; NSC-687868; NCI60_031730; N-(4-Methoxyphenyl)-2-((2-phenyl-4-quinolinyl)carbonyl)hydrazinecarbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687868	.	.	.	.	428.5	C24H20N4O2S	107	604	4.6	31	3	4	4	"InChI=1S/C24H20N4O2S/c1-30-18-13-11-17(12-14-18)25-24(31)28-27-23(29)20-15-22(16-7-3-2-4-8-16)26-21-10-6-5-9-19(20)21/h2-15H,1H3,(H,27,29)(H2,25,28,31)"	COC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4	VNBVXXOXAMYAFL-UHFFFAOYSA-N
DG61128	"1-(3,4-Dimethylphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea"	3005273	"NSC687870; CHEMBL1977047; ZINC1651143; 1-(3,4-dimethylphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea; NSC-687870; NCI60_031732; N-(3,4-Dimethylphenyl)-2-((2-phenyl-4-quinolinyl)carbonyl)hydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687870	.	.	.	.	426.5	C25H22N4OS	98.1	623	5.4	31	3	3	3	"InChI=1S/C25H22N4OS/c1-16-12-13-19(14-17(16)2)26-25(31)29-28-24(30)21-15-23(18-8-4-3-5-9-18)27-22-11-7-6-10-20(21)22/h3-15H,1-2H3,(H,28,30)(H2,26,29,31)"	CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C	CIOOHZQGACKSCX-UHFFFAOYSA-N
DG61129	"Diethyl 2-(2-methoxy-1-methyl-2-oxoethylidene)-3,6-dihydro-2H-1,3-thiazine-5,6-dicarboxylate"	3005309	"NSC689732; CHEMBL1986377; NSC-689732; diethyl (2E)-2-(2-methoxy-1-methyl-2-oxo-ethylidene)-3,6-dihydro-1,3-thiazine-5,6-dicarboxylate; Diethyl 2-(2-methoxy-1-methyl-2-oxoethylidene)-3,6-dihydro-2H-1,3-thiazine-5,6-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689732	.	.	.	.	329.37	C14H19NO6S	116	525	1.9	22	1	8	8	"InChI=1S/C14H19NO6S/c1-5-20-13(17)9-7-15-11(8(3)12(16)19-4)22-10(9)14(18)21-6-2/h7,10,15H,5-6H2,1-4H3/b11-8+"	CCOC(=O)C1C(=CN/C(=C(/C)\\C(=O)OC)/S1)C(=O)OCC	CDSGPNSMBUWSBF-DHZHZOJOSA-N
DG61130	"ethyl 6-methyl-2-(p-tolylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate"	3005311	"NSC690142; CHEMBL1986492; ZINC5844681; NSC-690142; NCI60_032408; Ethyl 6-methyl-2-((4-toluidinocarbothioyl)amino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate; ethyl 6-methyl-2-(p-tolylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690142	.	.	.	.	389.5	C19H23N3O2S2	114	511	4.1	26	2	5	5	"InChI=1S/C19H23N3O2S2/c1-4-24-18(23)16-14-9-10-22(3)11-15(14)26-17(16)21-19(25)20-13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3,(H2,20,21,25)"	CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=S)NC3=CC=C(C=C3)C	GBGQWSROVBRSDL-UHFFFAOYSA-N
DG61131	"[3,4,5-Triacetoxy-6-[3-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylpropanethioylamino]tetrahydropyran-2-yl]methyl acetate"	3005330	"NSC691094; CHEMBL1984569; NSC-691094; NCI60_032694; [3,4,5-triacetoxy-6-[3-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylpropanethioylamino]tetrahydropyran-2-yl]methyl acetate; 2,3,4,6-Tetra-O-acetyl-N-(3-((4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)thio)propanethioyl)hexopyranosylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691094	.	.	.	.	671.7	C31H33N3O10S2	217	1190	2.8	46	1	13	15	"InChI=1S/C31H33N3O10S2/c1-17(35)40-16-24-26(41-18(2)36)27(42-19(3)37)28(43-20(4)38)29(44-24)33-25(45)14-15-46-31-32-23-13-9-8-12-22(23)30(39)34(31)21-10-6-5-7-11-21/h5-13,24,26-29H,14-16H2,1-4H3,(H,33,45)"	CC(=O)OCC1C(C(C(C(O1)NC(=S)CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C	FXIVWWXOEDQWKQ-UHFFFAOYSA-N
DG61132	"4-(1H-indol-3-yl)-6-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-2-thioxo-1,5-dihydropyrimidine-6-carboxylic acid"	3005333	"NSC691835; CHEMBL1997263; NSC-691835; NCI60_032971; 4-(1H-indol-3-yl)-6-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-2-thioxo-1,5-dihydropyrimidine-6-carboxylic acid; 6-(1H-Indol-3-yl)-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-2-thioxo-2,3,4,5-tetrahydro-4-pyrimidinecarboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691835	.	.	.	.	369.4	C17H15N5O3S	151	736	0.6	26	4	5	3	"InChI=1S/C17H15N5O3S/c1-8-13(14(23)22-21-8)17(15(24)25)6-12(19-16(26)20-17)10-7-18-11-5-3-2-4-9(10)11/h2-5,7,13,18H,6H2,1H3,(H,20,26)(H,22,23)(H,24,25)"	CC1=NNC(=O)C1C2(CC(=NC(=S)N2)C3=CNC4=CC=CC=C43)C(=O)O	OMRBUQCXKBOHFV-UHFFFAOYSA-N
DG61133	NSC692581	3005339	"2-[(Z)-1-acetoxy-2-cyano-3-hydroxy-3-oxo-prop-1-enyl]-6-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-3,4-dihydro-2H-pyridine-3-carboxylic acid; NSC692581; CHEMBL1973108; NSC-692581; [1(2H),4'-Bipyridine]-3-carboxylic acid, 2-[(Z)-1-(acetyloxy)-2-carboxy-2-cyanoethenyl]-6-(2-furanyl)-3,4-dihydro-4-(2-nitrophenyl)-; 2-[(Z)-1-acetoxy-2-cyano-3-hydroxy-3-oxo-prop-1-enyl]-6-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-3,4-dihydro-2H-pyridine-3-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692581	.	.	.	.	544.5	C27H20N4O9	200	1130	2.3	40	2	12	8	"InChI=1S/C27H20N4O9/c1-15(32)40-25(19(14-28)26(33)34)24-23(27(35)36)18(17-5-2-3-6-20(17)31(37)38)13-21(22-7-4-12-39-22)30(24)16-8-10-29-11-9-16/h2-13,18,23-24H,1H3,(H,33,34)(H,35,36)/b25-19-"	CC(=O)O/C(=C(/C#N)\\C(=O)O)/C1C(C(C=C(N1C2=CC=NC=C2)C3=CC=CO3)C4=CC=CC=C4[N+](=O)[O-])C(=O)O	QMPVUMFVHBLHOM-PLRJNAJWSA-N
DG61134	"3,4,5-trihydroxy-N-[(3,4,5-trihydroxybenzoyl)carbamothioyl]benzamide"	3005352	"NSC694230; CHEMBL2003544; 3,4,5-trihydroxy-N-[(3,4,5-trihydroxybenzoyl)carbamothioyl]benzamide; NSC-694230; NCI60_033729; N,N'-Bis(3,4,5-trihydroxybenzoyl)thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694230	.	.	.	.	380.3	C15H12N2O8S	212	492	1.8	26	8	9	2	"InChI=1S/C15H12N2O8S/c18-7-1-5(2-8(19)11(7)22)13(24)16-15(26)17-14(25)6-3-9(20)12(23)10(21)4-6/h1-4,18-23H,(H2,16,17,24,25,26)"	C1=C(C=C(C(=C1O)O)O)C(=O)NC(=S)NC(=O)C2=CC(=C(C(=C2)O)O)O	JSKUEHHZHVZOTD-UHFFFAOYSA-N
DG61135	1-(3-Chlorophenyl)-3-pyridin-2-ylthiourea	3005366	NSC695053; 1-(3-chlorophenyl)-3-pyridin-2-ylthiourea; 344254-29-1; CHEMBL1976018; DTXSID60388275; STK489894; ZINC13223150; AKOS003262013; MCULE-7153924313; NSC-695053; NCI60_034028; 1-(3-chlorophenyl)-3-(2-pyridyl)thiourea; N-(2-Pyridyl)-N'-(3-chlorophenyl)thiourea; N-(3-Chlorophenyl)-N'-(2-pyridinyl)thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695053	.	.	.	.	263.75	C12H10ClN3S	69	262	3	17	2	2	2	"InChI=1S/C12H10ClN3S/c13-9-4-3-5-10(8-9)15-12(17)16-11-6-1-2-7-14-11/h1-8H,(H2,14,15,16,17)"	C1=CC=NC(=C1)NC(=S)NC2=CC(=CC=C2)Cl	KJWFTVWWEOPVBZ-UHFFFAOYSA-N
DG61136	1-(2-Chlorophenyl)-3-(4-methyl-2-pyridyl)thiourea	3005369	NSC695057; CHEMBL1975453; AKOS003721427; NSC-695057; NCI60_034032; 1-(2-chlorophenyl)-3-(4-methyl-2-pyridyl)thiourea; N-(2-Chlorophenyl)-N'-(4-methyl-2-pyridinyl)thiourea; N-(4-Methyl-2-pyridinyl)-N'-(2-chlorophenyl)thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695057	.	.	.	.	277.77	C13H12ClN3S	69	287	3.3	18	2	2	2	"InChI=1S/C13H12ClN3S/c1-9-6-7-15-12(8-9)17-13(18)16-11-5-3-2-4-10(11)14/h2-8H,1H3,(H2,15,16,17,18)"	CC1=CC(=NC=C1)NC(=S)NC2=CC=CC=C2Cl	KEKPGUKMMKDOOP-UHFFFAOYSA-N
DG61137	1-(3-Chlorophenyl)-3-(4-methylpyridin-2-yl)thiourea	3005371	NSC695059; 1-(3-chlorophenyl)-3-(4-methylpyridin-2-yl)thiourea; CHEMBL1996224; STK464917; ZINC13223164; AKOS003341705; MCULE-1122093595; NSC-695059; NCI60_034034; 1-(3-chlorophenyl)-3-(4-methyl-2-pyridyl)thiourea; N-(4-Methyl-2-pyridyl)-N'-(3-chlorophenyl)thiourea; N-(3-Chlorophenyl)-N'-(4-methyl-2-pyridinyl)thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695059	.	.	.	.	277.77	C13H12ClN3S	69	287	3.3	18	2	2	2	"InChI=1S/C13H12ClN3S/c1-9-5-6-15-12(7-9)17-13(18)16-11-4-2-3-10(14)8-11/h2-8H,1H3,(H2,15,16,17,18)"	CC1=CC(=NC=C1)NC(=S)NC2=CC(=CC=C2)Cl	KWWXZCPLQRGDRF-UHFFFAOYSA-N
DG61138	"1-(4,6-Dimethyl-2-pyridyl)-3-(2-methoxyphenyl)thiourea"	3005373	"NSC695061; CHEMBL1979036; AKOS003721675; NSC-695061; NCI60_034036; 1-(4,6-dimethyl-2-pyridyl)-3-(2-methoxyphenyl)thiourea; N-(4,6-Dimethyl-2-pyridinyl)-N'-(2-methoxyphenyl)thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695061	.	.	.	.	287.4	C15H17N3OS	78.3	326	3.1	20	2	3	3	"InChI=1S/C15H17N3OS/c1-10-8-11(2)16-14(9-10)18-15(20)17-12-6-4-5-7-13(12)19-3/h4-9H,1-3H3,(H2,16,17,18,20)"	CC1=CC(=NC(=C1)NC(=S)NC2=CC=CC=C2OC)C	AMLZEWRBTKOLMY-UHFFFAOYSA-N
DG61139	"N-(3-Chlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea"	3005374	"NSC695062; CHEMBL1994726; AKOS003721595; NSC-695062; NCI60_034037; 1-(3-chlorophenyl)-3-(4,6-dimethyl-2-pyridyl)thiourea; N-(3-Chlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea; N-(4,6-Dimethyl-2-pyridyl)-N'-(3-chlorophenyl)thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695062	.	.	.	.	291.8	C14H14ClN3S	69	313	3.7	19	2	2	2	"InChI=1S/C14H14ClN3S/c1-9-6-10(2)16-13(7-9)18-14(19)17-12-5-3-4-11(15)8-12/h3-8H,1-2H3,(H2,16,17,18,19)"	CC1=CC(=NC(=C1)NC(=S)NC2=CC(=CC=C2)Cl)C	LUMNZYDYRRCLAR-UHFFFAOYSA-N
DG61140	"N-(4,6-Dimethyl-2-pyridyl)-N'-(4-chlorophenyl)thiourea"	3005375	"NSC695063; CHEMBL1982132; AKOS003721558; NSC-695063; NCI60_034038; 1-(4-chlorophenyl)-3-(4,6-dimethyl-2-pyridyl)thiourea; N-(4,6-Dimethyl-2-pyridyl)-N'-(4-chlorophenyl)thiourea; N-(4-Chlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695063	.	.	.	.	291.8	C14H14ClN3S	69	305	3.7	19	2	2	2	"InChI=1S/C14H14ClN3S/c1-9-7-10(2)16-13(8-9)18-14(19)17-12-5-3-11(15)4-6-12/h3-8H,1-2H3,(H2,16,17,18,19)"	CC1=CC(=NC(=C1)NC(=S)NC2=CC=C(C=C2)Cl)C	JIRCAXHRISHWAQ-UHFFFAOYSA-N
DG61141	N-(6-Methyl-2-pyridyl)-N'-(4-chlorophenyl)thiourea	3005381	NSC695325; CHEMBL1984332; ZINC13223187; AKOS001093976; MCULE-5659219846; NSC-695325; NCI60_034125; 1-(4-chlorophenyl)-3-(6-methyl-2-pyridyl)thiourea; N-(6-Methyl-2-pyridyl)-N'-(4-chlorophenyl)thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695325	.	.	.	.	277.77	C13H12ClN3S	69	279	3.4	18	2	2	2	"InChI=1S/C13H12ClN3S/c1-9-3-2-4-12(15-9)17-13(18)16-11-7-5-10(14)6-8-11/h2-8H,1H3,(H2,15,16,17,18)"	CC1=NC(=CC=C1)NC(=S)NC2=CC=C(C=C2)Cl	KZGNLJVFKSDIRM-UHFFFAOYSA-N
DG61142	1-(4-Nitrophenyl)-3-(2-pyridyl)thiourea	3005383	NSC695329; CHEMBL1996648; ZINC5940535; AKOS003722920; NSC-695329; NCI60_034129; 1-(4-nitrophenyl)-3-(2-pyridyl)thiourea; N-(4-(Hydroxy(oxido)amino)phenyl)-N'-(2-pyridinyl)thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695329	.	.	.	.	274.3	C12H10N4O2S	115	326	2.2	19	2	4	2	"InChI=1S/C12H10N4O2S/c17-16(18)10-6-4-9(5-7-10)14-12(19)15-11-3-1-2-8-13-11/h1-8H,(H2,13,14,15,19)"	C1=CC=NC(=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]	IKPNWTCMAUGXEP-UHFFFAOYSA-N
DG61143	"4-(4-chlorophenyl)-3-[[4-[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]anilino]methyl]-1H-1,2,4-triazole-5-thione"	3005398	"NSC697142; CHEMBL1978260; NSC-697142; NCI60_034611; 4-(4-chlorophenyl)-3-[[4-[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]anilino]methyl]-1H-1,2,4-triazole-5-thione; 4-(4-Chlorophenyl)-5-(4-(((4-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697142	.	.	.	.	526.5	C23H17Cl2N7S2	132	829	5.8	34	3	5	6	"InChI=1S/C23H17Cl2N7S2/c24-15-3-9-18(10-4-15)31-20(27-29-22(31)33)13-26-17-7-1-14(2-8-17)21-28-30-23(34)32(21)19-11-5-16(25)6-12-19/h1-12,26H,13H2,(H,29,33)(H,30,34)"	C1=CC(=CC=C1C2=NNC(=S)N2C3=CC=C(C=C3)Cl)NCC4=NNC(=S)N4C5=CC=C(C=C5)Cl	BTNRFKWIVHABQR-UHFFFAOYSA-N
DG61144	Dibenzofuran-3-ylthiourea	3005416	"NSC698578; N-Dibenzo[b,d]furan-3-ylthiourea; dibenzofuran-3-ylthiourea; thiourea, N-3-dibenzofuranyl-; CHEMBL1987877; SCHEMBL13626792; 1-dibenzo[b,d]furan-3-ylthiourea; ZINC6583903; AKOS005147853; NSC-698578; NCI60_035290"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698578	.	.	.	.	242.3	C13H10N2OS	83.3	310	3.3	17	2	2	1	"InChI=1S/C13H10N2OS/c14-13(17)15-8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H,(H3,14,15,17)"	C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)NC(=S)N	VWBVBJPKRDFZHY-UHFFFAOYSA-N
DG61145	"5-[(9-bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-3H-1,3,4-oxadiazole-2-thione"	3005419	"NSC698982; CHEMBL1973287; NSC-698982; 5-[(9-bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-3H-1,3,4-oxadiazole-2-thione; NCI60_035385; 5-((9-Bromo-6H-indolo[2,3-b]quinoxalin-6-yl)methyl)-1,3,4-oxadiazole-2(3H)-thione; 5-[(9-Bromo-6H-indolo[2,3-b]quinoxaline-6-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698982	.	.	.	.	412.3	C17H10BrN5OS	96.4	589	4	25	1	5	2	"InChI=1S/C17H10BrN5OS/c18-9-5-6-13-10(7-9)15-16(20-12-4-2-1-3-11(12)19-15)23(13)8-14-21-22-17(25)24-14/h1-7H,8H2,(H,22,25)"	C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Br)N(C3=N2)CC5=NNC(=S)O5	BQVVLENGRZMDJC-UHFFFAOYSA-N
DG61146	"3-[(9-bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione"	3005420	"NSC698984; CHEMBL1989761; NSC-698984; 3-[(9-bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione; NCI60_035387; 4-Cyclohexyl-5-[(9-bromo-6H-indolo[2,3-b]quinoxaline-6-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione; 5-((9-Bromo-6H-indolo[2,3-b]quinoxalin-6-yl)methyl)-4-cyclohexyl-2,4-dihydro-3H-1,2,4-triazole-3-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698984	.	.	.	.	493.4	C23H21BrN6S	90.4	727	5.4	31	1	4	3	"InChI=1S/C23H21BrN6S/c24-14-10-11-19-16(12-14)21-22(26-18-9-5-4-8-17(18)25-21)29(19)13-20-27-28-23(31)30(20)15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13H2,(H,28,31)"	C1CCC(CC1)N2C(=NNC2=S)CN3C4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6N=C53	QKWCHGIAVAZNMX-UHFFFAOYSA-N
DG61147	"5-[2-[3-Phenylpropyl(propyl)amino]ethyl]-1,3-dihydrobenzimidazole-2-thione"	3005423	"NSC699427; CHEMBL1996186; 5-[2-[3-phenylpropyl(propyl)amino]ethyl]-1,3-dihydrobenzimidazole-2-thione; NSC-699427; NCI60_035606; 5-(2-((3-Phenylpropyl)(propyl)amino)ethyl)-1,3-dihydro-2H-benzimidazole-2-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699427	.	.	.	.	353.5	C21H27N3S	59.4	408	4.7	25	2	2	9	"InChI=1S/C21H27N3S/c1-2-13-24(14-6-9-17-7-4-3-5-8-17)15-12-18-10-11-19-20(16-18)23-21(25)22-19/h3-5,7-8,10-11,16H,2,6,9,12-15H2,1H3,(H2,22,23,25)"	CCCN(CCCC1=CC=CC=C1)CCC2=CC3=C(C=C2)NC(=S)N3	YPNWEKIQMJCAGO-UHFFFAOYSA-N
DG61148	"2-((2,2-Diphenylcyclopentyl)oxy)vinyl benzoate"	3005428	"NSC699766; CHEMBL1995210; NSC-699766; 2-((2,2-Diphenylcyclopentyl)oxy)vinyl benzoate; [(Z)-2-(2,2-diphenylcyclopentoxy)vinyl] benzoate; Benzoic acid,2-diphenylcyclopentyloxy)ethenyl ester, (racemic)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699766	.	.	.	.	384.5	C26H24O3	35.5	518	6.2	29	0	3	7	"InChI=1S/C26H24O3/c27-25(21-11-4-1-5-12-21)29-20-19-28-24-17-10-18-26(24,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,19-20,24H,10,17-18H2/b20-19-"	C1CC(C(C1)(C2=CC=CC=C2)C3=CC=CC=C3)O/C=C\\OC(=O)C4=CC=CC=C4	RTWJDVDJIDAXQA-VXPUYCOJSA-N
DG61149	"3-Cyano-4,6-dimethyl-2-pyridinyl benzoyldithiocarbamate"	3005435	"NSC699980; CHEMBL1995671; NSC-699980; NCI60_035862; 3-Cyano-4,6-dimethyl-2-pyridinyl benzoyldithiocarbamate; (3-cyano-4,6-dimethyl-2-pyridyl) N-benzoylcarbamodithioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699980	.	.	.	.	327.4	C16H13N3OS2	123	467	3.8	22	1	5	3	"InChI=1S/C16H13N3OS2/c1-10-8-11(2)18-15(13(10)9-17)22-16(21)19-14(20)12-6-4-3-5-7-12/h3-8H,1-2H3,(H,19,20,21)"	CC1=CC(=NC(=C1C#N)SC(=S)NC(=O)C2=CC=CC=C2)C	VJJIEGWDMALMNC-UHFFFAOYSA-N
DG61150	3-Amino-N-(4-chlorophenyl)-2-cyano-3-(1-pyrrolidinyl)acrylamide	3005444	NSC700470; CHEMBL1969744; NSC-700470; 3-Amino-N-(4-chlorophenyl)-2-cyano-3-(1-pyrrolidinyl)acrylamide; N-(4-Chlorophenyl)-2-cyano-3-amino-3-(pyrrolidine-1-yl)propenamide; (E)-3-amino-N-(4-chlorophenyl)-2-cyano-3-pyrrolidin-1-yl-prop-2-enamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700470	.	.	.	.	290.75	C14H15ClN4O	82.2	439	3.1	20	2	4	3	"InChI=1S/C14H15ClN4O/c15-10-3-5-11(6-4-10)18-14(20)12(9-16)13(17)19-7-1-2-8-19/h3-6H,1-2,7-8,17H2,(H,18,20)/b13-12+"	C1CCN(C1)/C(=C(\\C#N)/C(=O)NC2=CC=C(C=C2)Cl)/N	HFINJJFLLMJMSA-OUKQBFOZSA-N
DG61151	N-Cyclohexyl-2-thioxo-1-imidazolidinecarbothioamide	3005453	NSC704174; CHEMBL1981055; NSC-704174; NCI60_037163; N-Cyclohexyl-2-thioxo-1-imidazolidinecarbothioamide; N-cyclohexyl-2-thioxo-imidazolidine-1-carbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704174	.	.	.	.	243.4	C10H17N3S2	91.5	261	1.9	15	2	2	1	"InChI=1S/C10H17N3S2/c14-9-11-6-7-13(9)10(15)12-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)(H,12,15)"	C1CCC(CC1)NC(=S)N2CCNC2=S	FIXPLCVZQAYSFH-UHFFFAOYSA-N
DG61152	N-Cyclohexyl-2-thioxo-1-imidazolidinecarboxamide	3005455	NSC704176; CHEMBL1990054; NSC-704176; NCI60_037165; N-Cyclohexyl-2-thioxo-1-imidazolidinecarboxamide; N-cyclohexyl-2-thioxo-imidazolidine-1-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704176	.	.	.	.	227.33	C10H17N3OS	76.5	263	1.3	15	2	2	1	"InChI=1S/C10H17N3OS/c14-9(13-7-6-11-10(13)15)12-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,15)(H,12,14)"	C1CCC(CC1)NC(=O)N2CCNC2=S	SIUOWCMHLJSHCK-UHFFFAOYSA-N
DG61153	3-Acetyl-N-methyl-2-thioxo-1-imidazolidinecarbothioamide	3005457	NSC704179; CHEMBL1992667; NSC-704179; NCI60_037168; 3-Acetyl-N-methyl-2-thioxo-1-imidazolidinecarbothioamide; 3-acetyl-N-methyl-2-thioxo-imidazolidine-1-carbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704179	.	.	.	.	217.3	C7H11N3OS2	99.8	267	0.1	13	1	3	0	"InChI=1S/C7H11N3OS2/c1-5(11)9-3-4-10(7(9)13)6(12)8-2/h3-4H2,1-2H3,(H,8,12)"	CC(=O)N1CCN(C1=S)C(=S)NC	DSDKEXPYZIMSCM-UHFFFAOYSA-N
DG61154	"2-(2-diethylaminoethyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol; hydron; tetrachloroplatinum(2-)"	3005580	"NSC620257; 2-(2-diethylaminoethyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol; hydron; tetrachloroplatinum(2-); {6H-Pyrido[4,3-b]carbazolium,} {2-[2-(diethylamino)ethyl]-} 9-hydroxy-5,11-dimethyl-, (SP-4-1)-tetrachloroplatinate(2-), hydrogen; Platinate(2-), tetrachloro-, (SP-4-1), 2-[2-(diethylamino) ethyl]-9-hydroxy-5,11-dimethyl-6H-pyrido[4, 3-b]carbazolium, hydrogen"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620257	.	.	.	.	700.4	C23H29Cl4N3OPt	43.1	515	.	32	3	3	5	"InChI=1S/C23H27N3O.4ClH.Pt/c1-5-25(6-2)11-12-26-10-9-18-16(4)23-22(15(3)20(18)14-26)19-13-17(27)7-8-21(19)24-23;;;;;/h7-10,13-14,27H,5-6,11-12H2,1-4H3;4*1H;/q;;;;;+2/p-2"	[H+].CCN(CC)CC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)O)C.Cl[Pt-2](Cl)(Cl)Cl	DHOHJVBWRYSXEE-UHFFFAOYSA-L
DG61155	(2-imino-6-thioxo-3H-purin-7-yl)-(4-nitrophenyl)mercury	3005600	"NSC631945; (2-imino-6-thioxo-3H-purin-7-yl)-(4-nitrophenyl)mercury; (Dihydroxyamino)benzene compound with 6H-1lambda~4~-[1,3,2]thiazamercurolo[3,4,5-gh]purin-7(8H)-imine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631945	.	.	.	.	488.88	C11H8HgN6O2S	146	476	.	21	2	4	2	"InChI=1S/C6H4NO2.C5H5N5S.Hg/c8-7(9)6-4-2-1-3-5-6;6-5-9-3-2(4(11)10-5)7-1-8-3;/h2-5H;1H,(H4,6,7,8,9,10,11);/q;;+1/p-1"	C1=CC(=CC=C1[N+](=O)[O-])[Hg]N2C=NC3=C2C(=S)N=C(N3)N	STOFIQDDVHONHG-UHFFFAOYSA-M
DG61156	Anilinocarbamothioylsulfanyl(p-tolyl)mercury	3005601	NSC631946; anilinocarbamothioylsulfanyl(p-tolyl)mercury; ((Mercapto(2-phenylhydrazino)methylene)-lambda~4~-sulfanyl)mercury compound with methylbenzene (1:1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631946	.	.	.	.	475	C14H14HgN2S2	81.4	275	.	19	2	3	5	"InChI=1S/C7H8N2S2.C7H7.Hg/c10-7(11)9-8-6-4-2-1-3-5-6;1-7-5-3-2-4-6-7;/h1-5,8H,(H2,9,10,11);3-6H,1H3;/q;;+1/p-1"	CC1=CC=C(C=C1)[Hg]SC(=S)NNC2=CC=CC=C2	HCYGHIGPXCFWKN-UHFFFAOYSA-M
DG61157	"2-Amino-4-(4-dimethylaminophenyl)-6-sulfanyl-pyridine-3,5-dicarbonitrile; morpholine"	3005693	"NSC666138; CHEMBL1999585; NSC-666138; NCI60_022957; 2-amino-4-(4-dimethylaminophenyl)-6-sulfanyl-pyridine-3,5-dicarbonitrile; morpholine; 2-Amino-4-(4-(dimethylamino)phenyl)-6-mercapto-3,5-pyridinedicarbonitrile compound with morpholine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666138	.	.	.	.	382.5	C19H22N6OS	142	652	.	27	3	7	2	"InChI=1S/C15H13N5S.C4H9NO/c1-20(2)10-5-3-9(4-6-10)13-11(7-16)14(18)19-15(21)12(13)8-17;1-3-6-4-2-5-1/h3-6H,1-2H3,(H3,18,19,21);5H,1-4H2"	CN(C)C1=CC=C(C=C1)C2=C(C(=S)NC(=C2C#N)N)C#N.C1COCCN1	DVYLNFLMDCURGK-UHFFFAOYSA-N
DG61158	"3,4-dichloro-2-[(E)-2,3-dibromo-4-[(3,4-dichloro-5-oxo-2H-furan-2-yl)oxy]but-2-enoxy]-2H-furan-5-one"	3005840	"NSC603084; NSC603086; CHEMBL1986353; NSC-603084; 3,4-dichloro-2-[(E)-2,3-dibromo-4-[(3,4-dichloro-5-oxo-2H-furan-2-yl)oxy]but-2-enoxy]-2H-furan-5-one; 2-Butene,3-dibromo-1,4-bis[(3,4-dichloro-2,5-dihydro- 2-oxofuran-5-yl)oxy]-, (E)-; 3,4-Dichloro-5-((2,3-dibromo-4-((3,4-dichloro-5-oxo-2,5-dihydro-2-furanyl)oxy)-2-butenyl)oxy)-2(5H)-furanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603084	.	.	.	.	547.8	C12H6Br2Cl4O6	71.1	619	3.8	24	0	6	6	"InChI=1S/C12H6Br2Cl4O6/c13-3(1-21-11-7(17)5(15)9(19)23-11)4(14)2-22-12-8(18)6(16)10(20)24-12/h11-12H,1-2H2/b4-3+"	C(/C(=C(/COC1C(=C(C(=O)O1)Cl)Cl)\\Br)/Br)OC2C(=C(C(=O)O2)Cl)Cl	XYLUKYYLCTWKPE-ONEGZZNKSA-N
DG61159	1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(p-tolyl)thiourea	3005876	"NSC691524; CHEMBL1976204; NSC-691524; NCI60_032836; 1-[[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(p-tolyl)thiourea; 2-(((3-Ethyl-4-oxo-3,4-dihydro-2-quinazolinyl)thio)acetyl)-N-(4-methylphenyl)hydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691524	.	.	.	.	427.5	C20H21N5O2S2	143	649	3.4	29	3	5	5	"InChI=1S/C20H21N5O2S2/c1-3-25-18(27)15-6-4-5-7-16(15)22-20(25)29-12-17(26)23-24-19(28)21-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,23,26)(H2,21,24,28)"	CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=S)NC3=CC=C(C=C3)C	HNOUEDWYNOHFER-UHFFFAOYSA-N
DG61160	"7H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-beta-D-ribofuranosylthio-"	3006170	"22242-90-6; NSC-105827; 4-amino-7-((2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbothioamide; NSC 105827; NSC105827; CHEMBL171699; SCHEMBL2788901; 7H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-beta-D-ribofuranosylthio-; {7H-Pyrrolo[2,3-d]pyrimidine-5-carbothioamide,} 4-amino-7-.beta.-D-ribofuranosyl-; 7H-Pyrrolo(2,3-d)pyrimidine-5-carbothioamide, 4-amino-7-beta-D-ribofuranosyl- (9CI); 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105827	.	.	.	.	325.35	C12H15N5O4S	185	444	-1.9	22	5	8	3	"InChI=1S/C12H15N5O4S/c13-9-6-4(10(14)22)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)21-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,22)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1"	C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=S)N	XZOKDXWQSCIKCM-JTFADIMSSA-N
DG61161	"4,4'-(Piperazine-1,4-diyl)dibenzaldehyde"	3006251	"4,4'-(Piperazine-1,4-diyl)dibenzaldehyde; 10159-39-4; 4-[4-(4-formylphenyl)piperazin-1-yl]benzaldehyde; 4,4/'-(1,4-piperazinediyl)bis-Benzaldehyde; SCHEMBL3077544; YSZC2201; DTXSID70388302; 4,4-piperazinediyl)bisbenzaldehyde; 0419AA; NSC725988; ZINC33493497; NSC-725988; 4,4'-(1,4-piperazinediyl)dibenzaidehyde; 4,4'-(1,4-Piperazinediyl)bisbenzaldehyde; 4,4'-(Piperazine-1,4-diyl)bisbenzaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725988	.	.	.	.	294.3	C18H18N2O2	40.6	327	2.6	22	0	4	4	"InChI=1S/C18H18N2O2/c21-13-15-1-5-17(6-2-15)19-9-11-20(12-10-19)18-7-3-16(14-22)4-8-18/h1-8,13-14H,9-12H2"	C1CN(CCN1C2=CC=C(C=C2)C=O)C3=CC=C(C=C3)C=O	FZUIYMOPBHBVJH-UHFFFAOYSA-N
DG61162	"3-[1-(4-chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-phenyl-1H-1,2,4-triazole-5-thione"	3006482	"NSC724040; CHEMBL1995313; NSC-724040; 3-[1-(4-chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-phenyl-1H-1,2,4-triazole-5-thione; 3H-1,2,4-Triazole-3-thione, 5-[1-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl]-2,4-dihydro-4-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724040	.	.	.	.	369.8	C17H12ClN5OS	97.8	533	3.8	25	2	4	3	"InChI=1S/C17H12ClN5OS/c18-11-6-8-12(9-7-11)22-10-14(24)15(21-22)16-19-20-17(25)23(16)13-4-2-1-3-5-13/h1-10,24H,(H,20,25)"	C1=CC=C(C=C1)N2C(=NNC2=S)C3=NN(C=C3O)C4=CC=C(C=C4)Cl	CEINKXAFWDLUCW-UHFFFAOYSA-N
DG61163	"3-[1-(4-chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione"	3006483	"NSC725025; CHEMBL4087853; NSC-725025; 3-[1-(4-chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione; 3H-1,2,4-Triazole-3-thione, 5-[1-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-2,4-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725025	.	.	.	.	387.8	C17H11ClFN5OS	97.8	565	3.9	26	2	5	3	"InChI=1S/C17H11ClFN5OS/c18-10-1-5-12(6-2-10)23-9-14(25)15(22-23)16-20-21-17(26)24(16)13-7-3-11(19)4-8-13/h1-9,25H,(H,21,26)"	C1=CC(=CC=C1N2C(=NNC2=S)C3=NN(C=C3O)C4=CC=C(C=C4)Cl)F	CTKFLBHGJICZDI-UHFFFAOYSA-N
DG61164	"3-[1-(4-chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione"	3006484	"NSC725024; NSC-725024; 3-[1-(4-chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione; 3H-1,2,4-Triazole-3-thione, 5-[1-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl]-4-cyclohexyl-2,4-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725024	.	.	.	.	375.9	C17H18ClN5OS	97.8	533	4	25	2	4	3	"InChI=1S/C17H18ClN5OS/c18-11-6-8-12(9-7-11)22-10-14(24)15(21-22)16-19-20-17(25)23(16)13-4-2-1-3-5-13/h6-10,13,24H,1-5H2,(H,20,25)"	C1CCC(CC1)N2C(=NNC2=S)C3=NN(C=C3O)C4=CC=C(C=C4)Cl	FXJLBRYUEUROOC-UHFFFAOYSA-N
DG61165	Nelarabine	3011155	"Nelarabine; Nelzarabine; 121032-29-9; Arranon; Atriance; 506U78; GW 506U78; GW-506U78; 506U; 2-Amino-9-beta-D-arabinofuranosyl-6-methoxy-9H-purine; NSC-686673; Nelarabine (Arranon); CHEBI:63612; UNII-60158CV180; (2R,3S,4S,5R)-2-(2-Amino-6-methoxy-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; (2R,3S,4S,5R)-2-(2-amino-6-methoxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 2-Amino-6-methoxypurine arabinoside; NSC-755985; MAY; NCGC00181098-01; 60158CV180; S1213; DSSTox_CID_26842; DSSTox_RID_81952; DSSTox_GSID_46842; C11H15N5O5; ArranonG; GW506U78; SMR002544682; Arranon (TN); Nelzarabine (USAN); CAS-121032-29-9; compound 506U78; Attriance; 9-beta-D-Arabinofuranosyl-6-methoxy-9H-purin-2-amine; Nelarabine [USAN:INN:BAN]; NSC-759876; GW-506U; 9beta-D-Arabinofuranosyl-6-methoxy-9H-purin-2-amine; NSC 686673; SCHEMBL18820; MLS003915614; MLS004774135; MLS006010906; Nelarabine (JAN/USAN/INN); GTPL7090; CHEMBL1201112; DTXSID6046842; BCPP000392; HMS3715I16; ZINC3823492; Tox21_112714; BDBM50247985; MFCD00871078; NSC755985; 2-(2-Amino-6-methoxy-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol; AKOS015852325; AKOS015920191; Tox21_112714_1; BCP9000318; CCG-267441; CS-1607; DB01280; NCGC00274059-01; NCGC00274059-02; AS-47664; HY-13701; SW218086-2; D05134; F15095; J10096; AB01274773-01; AB01274773_02; 032N299; A804639; A935144; SR-01000931847; 9- -D-Arabinofuranosyl-6-methoxy-9H-purin-2-amine; Q1216264; SR-01000931847-3; 2-Amino-6-methoxy-9-b-D-arabinofuranosyl-9 H-purine; 2-Amino-6-methoxy-9-b-D-arabinofuranosyl-9H-purine; 9H-Purin-2-amine, 9-b-D-arabinofuranosyl-6-methoxy-; BRD-K84466663-001-01-3; 2-Amino-6-methoxy-9-beta-D-arabinofuranosyl-9H-purine; 9-(beta-D-arabinofuranosyl)-6-methoxy-9H-purin-2-amine; 9-beta -D-arabinofuranosyl-2-amino-6-methoxy-9H-purine; 9-beta-D-arabinofuranosyl-2-amino-6-methoxy-9 H-purine; 9H-Purin-2-amine, 9-beta-D-arabinofuranosyl-6-methoxy-; 9H-Purin-2-amine, 9beta-D-arabinofuranosyl-6-methyl-; 2-Amino-6-methoxy-9-(beta-D-arabinofuranosyl)-9H-purine; (2R,3S,4S,5R)-2-(2-amino-6-methoxy-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol; (2R,3S,4S,5R)-2-(2-amino-6-methoxy-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; (2R,3S,4S,5R)-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(2-imino-6-methoxy-3,9-dihydro-2H-purin-9-yl)oxolane-3,4-diol; Arranon; ; ; Nelzarabine; ; ; GW-506U78; ; ; (2R,3S,4S,5R)-2-(2-Amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755985	.	.	.	.	297.27	C11H15N5O5	149	377	-0.7	21	4	9	3	"InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1"	COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	IXOXBSCIXZEQEQ-UHTZMRCNSA-N
DG61166	Benzyldimethyl(tridecyl)ammonium chloride	3014024	"Benzyldimethyl(tridecyl)ammonium chloride; 1641-93-6; benzyl-dimethyl-tridecylazanium;chloride; NSC-758480; N-Benzyl-N,N-dimethyltridecan-1-aminium chloride; Benzenemethanaminium, ar-dodecyl-N,N,N-trimethyl-, chloride (1:1); EINECS 216-695-0; pentonium; Alpagelle; Zephiran; Benzalkonii chloridum; (alkyl length: C8-18); SCHEMBL631295; SPECTRUM1503610; CHEMBL502109; Benzenemethanaminium, N,N-dimethyl-N-tridecyl-, chloride; HMS502J07; DTXSID70936908; HMS1922E14; HMS2093G19; Pharmakon1600-01503610; CCG-39344; NSC758480; tridecyldimethylbenzylammonium chloride; dimethylbenzyl tridecyl ammonium chloride; NCGC00095057-01; NCGC00095057-02; SR-05000001862; SR-05000001862-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758480	.	.	.	.	354	C22H40ClN	0	253	.	24	0	1	14	"InChI=1S/C22H40N.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(2,3)21-22-18-15-14-16-19-22;/h14-16,18-19H,4-13,17,20-21H2,1-3H3;1H/q+1;/p-1"	CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]	XIWFQDBQMCDYJT-UHFFFAOYSA-M
DG61167	"N-(5-(((5-(1,1-Dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-piperidinecarboxamide"	3025986	"SNS-032; 345627-80-7; BMS-387032; SNS 032; BMS 387032; N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide; N-(5-(((5-(tert-Butyl)oxazol-2-yl)methyl)thio)thiazol-2-yl)piperidine-4-carboxamide; SNS-032 (BMS-387032); N-(5-(((5-(1,1-Dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-piperidinecarboxamide; BMS387032; SNS032; N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide; UNII-9979I93686; SNS-032 (hydrochloride); N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide; CHEMBL296468; C17H24N4O2S2; 345627-80-7 (free base); N-(5-((5-tert-butyloxazol-2-yl)methylthio)thiazol-2-yl)piperidine-4-carboxamide; 9979I93686; BMS-387072; n-(5-((5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl)-1,3-thiazol-2-yl)piperidine-4-carboxamide; Kinome_3820; MLS006011029; SCHEMBL187401; BDBM5931; GTPL5670; CHEBI:91399; cid_3025986; AMY2872; DTXSID50188100; EX-A054; BCPP000066; HMS3295G09; HMS3654G10; ACT06674; BCP01951; ZINC3816409; MFCD09833875; NSC767048; NSC799362; s1145; AKOS015898717; CCG-264835; DB05969; NSC-767048; NSC-799362; SB16651; N-(5-(((5-(1,1-Dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-peridinecarboxamide; compound 21 [PMID: 15027863]; NCGC00263167-01; NCGC00263167-02; 4-Piperidinecarboxamide, N-(5-(((5-(1,1-dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-; AC-26846; AS-35116; HY-10008; SMR004702824; SNS-032(BMS-387032); SNS-032 - BMS-387032; A6078; FT-0674612; SW219478-1; X7382; A20554; 627B807; J-019645; J-523350; BRD-K43389698-001-01-6; Q27075347; N-(5-((5-tert-butyloxazol-2-yl)methylthio)thiazol-2-yl)piperidine-4-carboxamide;SNS-032; 56H; n-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]-thio]-2-thiazolyl]-4-piperidinecarboxamide; SNS-032; ; ; N-[5-[(5-tert-Butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767048	.	.	.	.	380.5	C17H24N4O2S2	134	454	3	25	2	7	6	"InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)"	CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCNCC3	OUSFTKFNBAZUKL-UHFFFAOYSA-N
DG61168	1-Dodecyl-2-methylbenzimidazole hydrobromide	3027338	"1H-Benzimidazole, monohydrobromide; 1-Dodecyl-2-methylbenzimidazole hydrobromide; Benzimidazole, hydrobromide; NIOSH/DD8794000; NSC10018; NSC25127; NSC 10018; NSC-10018; NSC-25127; DD87940000; Benzimidazole, 1-dodecyl-2-methyl-, hydrobromide; 1H-Benzimidazole, 1-dodecyl-2-methyl-, monohydrobromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10018	.	.	.	.	381.4	C20H33BrN2	17.8	279	.	23	1	1	11	"InChI=1S/C20H32N2.BrH/c1-3-4-5-6-7-8-9-10-11-14-17-22-18(2)21-19-15-12-13-16-20(19)22;/h12-13,15-16H,3-11,14,17H2,1-2H3;1H"	CCCCCCCCCCCCN1C(=NC2=CC=CC=C21)C.Br	CKBXLKPOHHDMRJ-UHFFFAOYSA-N
DG61169	"Hydantoin, 3-allyl-2-thioxo-"	3032418	"2010-16-4; 3-Allyl-2-thiohydantoin; HYDANTOIN, 3-ALLYL-2-THIOXO-; 3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one; 4-Imidazolidinone, 3-(2-propen-1-yl)-2-thioxo-; 3-(prop-2-en-1-yl)-2-sulfanylideneimidazolidin-4-one; 1-Allyl-5-oxoimidazolidine-2-thione; BRN 0120682; 3-(2-Propenyl)-2-thioxo-4-imidazolidinone; 4-Imidazolidinone, 3-(2-propenyl)-2-thioxo-; 3-allylthiohydantoin; NSC703018; 3-prop-2-enyl-2-sulfanylidene-imidazolidin-4-one; SCHEMBL1598194; CHEMBL1990340; DTXSID20173922; CAA01016; ZINC2534215; 3-allyl-2-thioxo-4-imidazolidinone; 3-Allyl-2-thioxoimidazolidin-4-one; 1-Allyl-2-thioxoimidazolidine-5-one; AKOS030229559; NSC-703018; NCI60_036785; NS-01215; 3-(2-Propen-1-yl)-2-thioxo-4-imidazolidinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703018	.	.	.	.	156.21	C6H8N2OS	64.4	190	0.4	10	1	2	2	"InChI=1S/C6H8N2OS/c1-2-3-8-5(9)4-7-6(8)10/h2H,1,3-4H2,(H,7,10)"	C=CCN1C(=O)CNC1=S	UVUYSPTYWQXNLX-UHFFFAOYSA-N
DG61170	alpha-2'-Deoxythioguanosine	3032861	".alpha.-TGdR; 6-thio-dG;beta-TGdR; .alpha.-Thiodeoxyguanosine; .alpha.-2'-Deoxythioguanosine; .alpha.-2'-Deoxy-6-thioguanosine; NSC71851; Thioguanine 9.alpha.D-2'-deoxyriboside; 6-THIO-2'-DEOXYGUANOSINE; 9H-Purine-6-thiol, 2-amino-9-(2-deoxy-.alpha.-D-erythro-pentofuranosyl)-; 9H-Purine-6(1H)-thione, 2-amino-9-(2-deoxy-.alpha.-D-erythro-pentofuranosyl)-; 2'-Desoxy-6-thioguanosine; NSC71261; NSC 71261; NSC 71851; NSC-71851; .beta.-TGdR; 7-Deaza-dX; NSC-71261; .alpha.-Deoxythioguanosine; NCIOpen2_003568; NCIOpen2_004523; .beta.-2'-Deoxythioguanosine; SCHEMBL536937; Guanosine, 2'-deoxy-6-thio-; .beta.-2'-Deoxythiol guanosine; .beta.-Thioguanine deoxyriboside; CHEMBL1971770; SCHEMBL14156812; 6H-Purine-6-thione, 2-amino-9-(2-deoxy-.alpha.-D-erythro-pentofuranosyl)-1,9-dihydro-; .beta.-2'-Deoxy-6-thioguanosine; Thioguanine 9.beta.D-2'-deoxyriboside; NCI60_039359; NCI60_040806; FT-0665857; 2-Amino-9-(2-deoxy-.alpha.-D-erythro-pentofuranosyl)mercaptopurine; 9H-Purine-6(1H)-thione, 2-amino-9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71851	.	.	.	.	283.31	C10H13N5O3S	150	420	-0.8	19	4	5	2	"InChI=1S/C10H13N5O3S/c11-10-13-8-7(9(19)14-10)12-3-15(8)6-1-4(17)5(2-16)18-6/h3-6,16-17H,1-2H2,(H3,11,13,14,19)"	C1C(C(OC1N2C=NC3=C2NC(=NC3=S)N)CO)O	SCVJRXQHFJXZFZ-UHFFFAOYSA-N
DG61171	"Carbamic acid, (2-piperazinylethyl)dithio-"	3032930	"36001-71-5; Carbamic acid, (2-piperazinylethyl)dithio-; NSC42352; CARBAMIC ACID, (2-(1-PIPERAZINYL)ETHYL)DITHIO-; NSC-42352; 2-Piperazinoethyldithiocarbamic acid; NSC 42352; BRN 0511277; NCIStruc1_000341; NCIStruc2_000456; Carbamodithioic acid, [2-(1-piperazinyl)ethyl]-; 5-23-01-00258 (Beilstein Handbook Reference); SCHEMBL659671; CHEMBL1398294; DTXSID40189565; NCI42352; CCG-37909; NCGC00013499; ZINC22913191; NCGC00013499-02; NCGC00096613-01; NCI60_003965; 2-(1-piperazinyl)ethylcarbamodithioic acid; N-[2-(1-Piperazinyl)ethyl]carbamodithioic acid; Carbamodithioic acid, (2-(1-piperazinyl)ethyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42352	.	.	.	.	205.3	C7H15N3S2	60.4	146	0.1	12	3	4	3	"InChI=1S/C7H15N3S2/c11-7(12)9-3-6-10-4-1-8-2-5-10/h8H,1-6H2,(H2,9,11,12)"	C1CN(CCN1)CCNC(=S)S	HDEIZYCKHOUEEH-UHFFFAOYSA-N
DG61172	Clomifene citrate	3033832	"Clomifene citrate; CLOMIPHENE CITRATE; 50-41-9; Clomid; Zuclomiphene citrate; cis-Clomiphene citrate; Clomiphene A citrate; Clomiphene citrate salt; Milophene; Serophene; 7619-53-6; Chloramiphene; Omifin; UNII-UY5X264QZV; Clostilbegyt; RMI 16289; Clomivid; Clomphid; Dyneric; Genozym; Ikaclomin; Clomifene citrate (Serophene); 2-(4-(2-Chloro-1,2-diphenylvinyl)phenoxy)-N,N-diethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate; Zuclomiphene (citrate); UY5X264QZV; MRL 41; Zuclomid; NSC 35770; RMI 16312; 2-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid; Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-,2-hydroxy-1,2,3-propanetricarboxylate (1:1); (Z)-Clomiphene citrate; MER-41; MRL-41; NSC 151466; NSC-35770; Triethylamine, 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)-, citrate (1:1); CAS-50-41-9; MFCD00058322; Clomiphene citrate, cis-; Triethylamine, 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)-, citrate (1:1), (Z)-; MLS001332629; MLS002207099; SCHEMBL223472; SPECTRUM1500196; SGCUT00109; CHEMBL1213137; HMS501H04; HY-B1617A; HMS1920O19; HMS2091G06; HMS2232D12; Pharmakon1600-01500196; 43054-45-1; AMY33425; BCP03057; to_000032; CCG-39553; NSC151466; NSC756698; s2561; AKOS005111131; BCP9000541; DS-6814; FD12066; NSC-151466; NSC-756698; NCGC00017008-01; NCGC00017008-02; NCGC00017008-03; NCGC00094626-01; NCGC00094626-02; NCGC00164385-01; AC-19685; AC-32011; Ethanamine, 2-(4-((1Z)-2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1); BCP0726000214; 2-[4-(2-Chloro-1,2-diphenylvinyl)phenoxy; CS-0111663; SW196898-3; C08161; Triethylamine,2-diphenylvinyl)phenoxy]-, citrate; SR-05000001591; SR-05000001591-1; Q27291328; Triethylamine,2-diphenylvinyl)phenoxy]-, citrate (1:1); UNII-1B8447E7YI component PYTMYKVIJXPNBD-OQKDUQJOSA-N; Triethylamine,2-diphenylvinyl)phenoxy]-, citrate (1:1), (Z)-; (2)2-[p-(2-Chloro-1,2-diphenylvinyl)phenoxy]triethylamine citrate (1:1); 2-(4-[2-Chloro-1,2-Diphenylethenyl]Phenoxy)-N,N-Diethylethanamine Citrate salt; {2-[4-(2-Chloro-1,2-diphenylvinyl)phenoxy]ethyl}diethylamine 2-hydroxypropane-1,2,3-tricarboxylic acid salt; 2-({4-[(Z)-2-chloro-1,2-diphenylethenyl]phenyl}oxy)-N,N-diethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate (salt); Ethanamine, 2-(4-(2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (9CI); Ethanamine,2-diphenylethenyl)phenoxy]-N,N-diethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1); Ethanamine,2-diphenylethenyl)phenoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35770	.	.	.	.	598.1	C32H36ClNO8	145	708	.	42	4	9	14	"InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;"	CCN(CC)CCOC1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\\Cl)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O	PYTMYKVIJXPNBD-OQKDUQJOSA-N
DG61173	"Imidodicarbonimidic diamide, N-phenyl-, compd. with 2(3H)-benzothiazolethione (1:1)"	3034162	"NSC8174; Phenylbiguanide mbt-salt; 5437-11-6; NSC-8174; Imidodicarbonimidic diamide, N-phenyl-, compd. with 2(3H)-benzothiazolethione (1:1); CHEMBL1569955; DTXSID3063883; NCI8174; NSC 8174; EINECS 226-607-2; CCG-36751; NCGC00013090; NCGC00013090-02; NCGC00096213-01; NCI60_041791; Biguanide, compd. with 2-benzothiazolethiol (1:1); 1-Phenylbiguanide, compound with benzothiazole-2(3H)-thione (1:1); Biguanide, 1-phenyl-, compd. with 2-benzothiazolethiol (1:1) (8CI); Imidodicarbonimidic diamide, compd. with 2(3H)-benzothiazolethione (1:1); N-phenyldicarbonimido/ic diamide/imido compound with 1,3-benzothiazole-2(3H)-thione (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8174	.	.	.	.	344.5	C15H16N6S2	172	368	.	23	4	3	2	"InChI=1S/C8H11N5.C7H5NS2/c9-7(10)13-8(11)12-6-4-2-1-3-5-6;9-7-8-5-3-1-2-4-6(5)10-7/h1-5H,(H6,9,10,11,12,13);1-4H,(H,8,9)"	C1=CC=C(C=C1)N=C(N)N=C(N)N.C1=CC=C2C(=C1)NC(=S)S2	HQXQVKSGCXSRGH-UHFFFAOYSA-N
DG61174	Stypoldione	3034636	"Stypoldione; 71103-05-4; NSC339672; (1S,2S,4aR,4bS,7S,8aR,10aR)-7-hydroxy-2,4b,7',8,8,10a-hexamethylspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,2'-3H-1-benzofuran]-4',5'-dione; NSC 339672; XS177357; (1S,2S,4aR,4bS,7S,8aR,10aR)-7-hydroxy-2,4b,7',8,8,10a-hexamethyl-spiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,2'-3H-benzofuran]-4',5'-dione; 16,24-Cyclo-13,17-secochola-16,20(22)-diene-23,24-dione, 14,17-epoxy-3-hydroxy-4,4,8-trimethyl-, (3beta,5alpha,13alpha)-; Spiro[benzofuran-2(3H),1'(2'H)-phenanthrene]-4,5-dione, 3',4',4'a,4'b,5',6',7',8',8'a,9',10',10'a-dodecahydro-7'-hydroxy-2',4'b,7,8',8',10'a-hexamethyl-, (2S,2'S,4b'S,7'S,10a'R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339672	.	.	.	.	426.6	C27H38O4	63.6	926	4.9	31	1	4	0	"InChI=1S/C27H38O4/c1-15-13-18(28)22(30)17-14-27(31-23(15)17)16(2)7-8-20-25(5)11-10-21(29)24(3,4)19(25)9-12-26(20,27)6/h13,16,19-21,29H,7-12,14H2,1-6H3/t16-,19-,20+,21-,25-,26+,27-/m0/s1"	C[C@H]1CC[C@@H]2[C@]3(CC[C@@H](C([C@@H]3CC[C@]2([C@]14CC5=C(O4)C(=CC(=O)C5=O)C)C)(C)C)O)C	LLWMPGSQZXZZAE-JZFVXYNCSA-N
DG61175	N-Succinimidyl-6-(4'-azido-2'-nitrophenylamino)hexanoate	3035550	"64309-05-3; SANPAH; N-Succinimidyl-6-(4'-azido-2'-nitrophenylamino)hexanoate; (2,5-dioxopyrrolidin-1-yl) 6-(4-azido-2-nitroanilino)hexanoate; 6-Sanh; 6-(4-azido-2-nitrophenyl-amino)hexanoic acid n-hydroxysuccinimide ester; CHEMBL1968746; SCHEMBL13583637; DTXSID70214531; 6-(4-Azido-2-nitrophenylamino)hexanoic acid N-hydroxysuccinimide ester; MFCD00049058; NSC340005; ZINC73311359; AKOS027327592; NSC 340005; NSC-340005; AS-35323; DB-054641; FT-0640939; 6-(4-Azido-2-nitrophenylamino)hexanoic acid succinimidyl ester; (SANPAH);N-Succinimidyl-6-(4-azido2-nitrophenyl-amino)hexanoate; 2,5-dioxopyrrolidin-1-yl 6-(4-azido-2-nitrophenylamino)hexanoate; 2,5-Pyrrolidinedione, 1-((6-((4-azido-2-nitrophenyl)amino)-1-oxohexyl)oxy)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	340005	.	.	.	.	390.35	C16H18N6O6	136	643	3.2	28	1	9	10	"InChI=1S/C16H18N6O6/c17-20-19-11-5-6-12(13(10-11)22(26)27)18-9-3-1-2-4-16(25)28-21-14(23)7-8-15(21)24/h5-6,10,18H,1-4,7-9H2"	C1CC(=O)N(C1=O)OC(=O)CCCCCNC2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[O-]	NGXDNMNOQDVTRL-UHFFFAOYSA-N
DG61177	"Endoxifen, (E)-"	3035980	"Endoxifen, (E)-; 114828-90-9; (E)-4-Hydroxy-N-desmethyl Tamoxifen; E-Endoxifen; UNII-HB2U71MNOT; 110025-28-0; Endoxifen E-isomer; HB2U71MNOT; 4-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol; 4OHNDtam; Phenol,4-[1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-; Phenol, 4-[(1E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-; Racemic Endoxifen; 4-Hydroxy-N-demethyltamoxifen; N-Desmethyl-4-hydroxy Tamoxifen (approx. 1:1 E/Z Mixture); (E)-endoxifen; 4OHNDam; SCHEMBL8655920; DTXSID70150869; BCP18474; NSC750182; ZINC33753464; (E)-4-Hydroxy-N-desmethyl-tamoxifen; NSC 750182; NSC-750182; BS-41687; A12639; E72328; A894947; J-003139; Q26998030; 4-[1-[4-[2-(METHYLAMINO)ETHOXY]PHENYL]-2-PHENYL-1-BUTENYL]PHENOL; Phenol, 4-(1-(4-(2-(methylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750182	.	.	.	.	373.5	C25H27NO2	41.5	467	6.3	28	2	3	8	"InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24+"	CC/C(=C(/C1=CC=C(C=C1)O)\\C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3	MHJBZVSGOZTKRH-OCOZRVBESA-N
DG61179	(3-Phenoxypropyl)triphenylphosphonium bromide	3048782	"(3-Phenoxypropyl)triphenylphosphonium bromide; 63985-67-1; Phosphonium, (3-phenoxypropyl)triphenyl-, bromide; SCHEMBL4827422; DTXSID80981702; NSC84069; NSC 84069; NSC-84069; WLN: RO3PR&R&R &E &4/12; 3-phenoxypropyltriphenylphosphonium bromide; (3-Phenoxypropyl)(triphenyl)phosphanium bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84069	.	.	.	.	477.4	C27H26BrOP	9.2	394	.	30	0	2	8	"InChI=1S/C27H26OP.BrH/c1-5-14-24(15-6-1)28-22-13-23-29(25-16-7-2-8-17-25,26-18-9-3-10-19-26)27-20-11-4-12-21-27;/h1-12,14-21H,13,22-23H2;1H/q+1;/p-1"	C1=CC=C(C=C1)OCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]	RXOVIECCQDDPAL-UHFFFAOYSA-M
DG61180	"2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride"	3063374	"100595-96-8; 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride; CCRIS 8957; CHEMBL468975; 1-Phenyl-2-dimethylaminomethyl-2-propen-1-one hydrochloride; 2-((Dimethylamino)methyl)-1-phenyl-2-propen-1-one hydrochloride; SCHEMBL4799828; DTXSID50143416; NSC382011; NSC-382011; 2-((DIMETHYLAMINO)METHYL)-1-PHENYL-2-PROPEN-1-ONE HYDROCLORIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382011	.	.	.	.	225.71	C12H16ClNO	20.3	214	.	15	1	2	4	"InChI=1S/C12H15NO.ClH/c1-10(9-13(2)3)12(14)11-7-5-4-6-8-11;/h4-8H,1,9H2,2-3H3;1H"	CN(C)CC(=C)C(=O)C1=CC=CC=C1.Cl	SLQVHPCGONHBGQ-UHFFFAOYSA-N
DG61181	"3-(((3-Chlorophenyl)amino)methyl)-5-(2-hydroxyphenyl)-1,3,4-oxadiazole-2(3H)-thione"	3072664	"143658-81-5; 3-[(3-chloroanilino)methyl]-5-(2-hydroxyphenyl)-1,3,4-oxadiazole-2-thione; 1,3,4-Oxadiazole-2(3H)-thione, 3-(((3-chlorophenyl)amino)methyl)-5-(2- hydroxyphenyl)-; 3-(((3-Chlorophenyl)amino)methyl)-5-(2-hydroxyphenyl)-1,3,4-oxadiazole-2(3H)-thione; 1,3,4-Oxadiazole-2(3H)-thione, 3-(((3-chlorophenyl)amino)methyl)-5-(2-hydroxyphenyl)-; NSC731990; NSC-731990; 3-[(3-Chloro-phenylamino)-methyl]-5 -(2-hydroxy-phenyl)-3H-[1,4]oxadi azole-2-thione; 5-(2-Hydroxyphenyl)-3-[(3-chlorophenyl)aminomethyl]-1,3,4-oxadiazole-2(3H)-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731990	.	.	.	.	333.8	C15H12ClN3O2S	89.2	449	4.3	22	2	5	4	"InChI=1S/C15H12ClN3O2S/c16-10-4-3-5-11(8-10)17-9-19-15(22)21-14(18-19)12-6-1-2-7-13(12)20/h1-8,17,20H,9H2"	C1=CC=C(C(=C1)C2=NN(C(=S)O2)CNC3=CC(=CC=C3)Cl)O	NVPJDYROQRMSQZ-UHFFFAOYSA-N
DG61182	"3,6-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one"	3076856	"132605-21-1; BRN 4191063; NSC716576; (1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-3,6-dimethyl-2-thioxo-; 3,6-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one; CHEMBL1983913; DTXSID00927743; NSC-716576; NCI60_040312; 1,2,5,6,7,8-Hexahydro-3,6-dimethyl-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(3H)-one; 3,6-Dimethyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716576	.	.	.	.	266.4	C12H14N2OS2	92.7	374	2.7	17	1	3	0	"InChI=1S/C12H14N2OS2/c1-6-3-4-8-7(5-6)9-10(17-8)13-12(16)14(2)11(9)15/h6H,3-5H2,1-2H3,(H,13,16)"	CC1CCC2=C(C1)C3=C(S2)NC(=S)N(C3=O)C	LKHXBFOQKPAJRO-UHFFFAOYSA-N
DG61183	Ucn-01	3078519	"UCN-01; UCN-02; CHEMBL574737; 121569-61-7; KW-2401; (2S,3R,4R,6R,18S)-18-Hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one; UCN 02; UCN01; SCHEMBL16946789; DTXSID60923867; HMS3229L19; BDBM50280450; NSC800958; ZINC33901069; NSC-800958; NCGC00346827-02; UCN-01, >=97% (HPLC), powder; 8,12-Epoxy-1H,8H-2,7b,12a-triazadibenzo(a,g)cyclonona(cde)trinden-1-one, 2,3,9,10,11,12-hexahydro-3-hydroxy-9-methoxy-8-methyl-10-(methylamino)-; 9,13-Epoxy-1H,9H-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazon-1-one, 2,3,10,11,12,13-hexahydro-3-hydroxy-10-methoxy-9-methyl-11-(methylamino)-, (3-alpha,9-alpha,10-beta,11-beta,13-alpha)-; HY-108262; CS-0027882; 18-hydroxy-3-methoxy-2-methyl-4-methylamino-(2R,3S,4S,6S)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one; 8-Methoxy-9-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacene-14,16-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800958	.	.	.	.	482.5	C28H26N4O4	89.7	935	2.7	36	3	5	2	"InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27+,28+/m1/s1"	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)[C@@H](NC6=O)O)NC)OC	PBCZSGKMGDDXIJ-KRUBCLEUSA-N
DG61185	Dehydroemetine (+-)-form dihydrochloride	3084192	"Dehydroemetine (+-)-form dihydrochloride; NSC129414; 14358-43-1; TCMDC-131825; 3317-75-7; (11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine;hydrochloride; (+-)-2,3-Dehydroemetine dihydrochloride; EINECS 222-013-2; Dehydroemetine hydrochloride, (+/-)-; dehydroemetine hydrochloride; 2,3-Didehydroemetine dihydrochloride (.+-.)-; CHEMBL1977229; DTXSID60162471; (+/-)-dehydroemetine hydrochloride; (+-)-Dehydro-2,3-emetine 2 HCl; Emetan, 2,3-didehydro-6',7',10,11-tetramethoxy-, monohydrochloride, (1)-; NSC-129414; 2,3-DIDEHYDROEMETINE DIHYDROCHLORIDE; (.+-.)-2,3-Dehydroemetine dihydrochloride; Emetine,3-didehydro-, dihydrochloride, (+-)-; Emetine,3-didehydro-, dihydrochloride (.+-.)-; Emetine,3-didehydro-, dihydrochloride, (.+-.)-; Q27258422; UNII-4194D823Y6 component DHRVPMDKONQKAP-KGQXAQPSSA-N; Emetan,3-didehydro-6',7',10,11-tetramethoxy-, dihydrochloride, (+-)-; Emetan,3-didehydro-6',7',10,11-tetramethoxy-, dihydrochloride, (.+-.)-; WLN: T B666 GN DUTT&J E2 LO1 MO1 D1- BT66 CMT&J HO1 IO1 &GH 2; 2H-Benzo[a]quinolizine,4,6,7,11b-pentahydro-9,10-dimethoxy-3-ethyl-2-[(1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolyl)methyl]-, dihydrochloride, (+-)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129414	.	.	.	.	515.1	C29H39ClN2O4	52.2	744	.	36	2	6	7	"InChI=1S/C29H38N2O4.ClH/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;/h13-16,24-25,30H,6-12,17H2,1-5H3;1H/t24-,25+;/m1./s1"	CCC1=C(C[C@H]2C3=CC(=C(C=C3CCN2C1)OC)OC)C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC.Cl	DHRVPMDKONQKAP-KGQXAQPSSA-N
DG61186	Salinomycin	3085092	"salinomycin; Procoxacin; Coxistac; 53003-10-4; Bio-cox; UNII-62UXS86T64; CHEBI:80025; 62UXS86T64; Salinomicina; Salinomycine; Salinomycinum; Salinomycin [INN:BAN]; Salinomycine [INN-French]; Salinomycinum [INN-Latin]; Salinomycin (Procoxacin); Salinomicina [INN-Spanish]; K 364; HSDB 7032; Procoxacin (TN); AHR 3096; EINECS 258-290-1; Salinomycin (INN); SCHEMBL36890; CHEMBL1208572; DTXSID4048486; GTPL11088; NSC757437; s2352; s8129; ZINC85540254; Salinomycin (from Streptomyces albus); CCG-208535; CS-1299; DB11544; NSC-757437; (2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5 .3 ]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoic acid; BS-17023; E716; HY-15597; D08502; A829344; Q411909; J-524236; SR-05000002207-3; Salinomycin, from Streptomyces albus, >=98% (HPLC); Salinomycin, Ready Made Solution, from Streptomyces albus, >=98% (HPLC); (2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoic acid; (R)-2-((2R,5S,6R)-6-((2S,3S,4S,6R)-6-((2S,5S,7R,9S,10S,12R,15R)-2-((2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl)-3-hydroxy-4-methyl-5-oxooctan-2-yl)-5-methyltetrahydro-2H-pyran-2-yl)butanoic acid; sodium 2-[6-[5-[3-(5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl)-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4-oxo-heptyl]-5-methyl-tetrahydropyran-2-yl]butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757437	.	.	.	.	751	C42H70O11	161	1320	5.7	53	4	11	12	"InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1"	CC[C@H]([C@H]1CC[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H]([C@]3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)O)C)C)O)C)C(=O)O	KQXDHUJYNAXLNZ-XQSDOZFQSA-N
DG61187	Daunoblastin	3085106	"DAUNORUBICIN HYDROCHLORIDE; Daunoblastin; Ondena; Daunomycin, hydrochloride; NSC83142; Antibiotics from Streptomyces coeruleorubidus; 4'-epi-Daunomycin hydrochloride; 71214-33-0; Prestwick_791; NSC82151; Daunorubicin (Beford); SCHEMBL4445; CHEMBL158918; HMS1569B15; 3',4'-Epidaunomycin hydrochloride; (8S,10S)-8-Acetyl-10-[(3-amino-2,3,6-trideoxy- -L-lyxo-hexopyransoyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride; NSC249333; NSC257457; NSC301724; NSC304419; AKOS024456618; CCG-208189; Mixture with Starch (MW=150,000); NSC-249333; NSC-257457; NSC-301724; NSC-304419; D4532; Replaced CAS registry number(s): 62414-04-4; SR-01000597799; SR-01000597799-1; Same as NSC 301724, except sonicated and filtered through a 0.8 micron Millipore filter; (1S,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenedione, hydrochloride, (8S-cis)-; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, hydrochloride; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-, mixt. with starch; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-ribo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-; L-lyxo-Hexopyranoside,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1a-naththacenyl 3-amino-2,3,6-trideoxy-, .alpha.-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83142	.	.	.	.	564	C27H30ClNO10	186	960	.	39	6	11	4	"InChI=1S/C27H29NO10.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;1H/t10 ,14 ,16-,17 ,22 ,27-;/m0./s1"	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O.Cl	GUGHGUXZJWAIAS-CFCXLQPVSA-N
DG61188	"2-(2-(Diethylamino)ethyl)-9-hydroxy-5,11-dimethyl-6H-pyrido(4,3-b)carbazolium acetate"	3086131	"81531-58-0; NSC311152; 2-(2-(Diethylamino)ethyl)-9-hydroxy-5,11-dimethyl-6H-pyrido(4,3-b)carbazolium acetate; NSC-311152; EINECS 279-779-6; NSC 311152; CHEMBL1790009; DTXSID30231188; 9-Hydroxy-2-(.beta.-diethylaminoethyl)ellipticinium acetate; 6H-Pyrido[4, 2-[2-(diethylamino)ethyl]-9-hydroxy-5,11-dimethyl-, acetate (salt)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	311152	.	.	.	.	421.5	C25H31N3O3	83.3	522	.	31	2	4	5	"InChI=1S/C23H27N3O.C2H4O2/c1-5-25(6-2)11-12-26-10-9-18-16(4)23-22(15(3)20(18)14-26)19-13-17(27)7-8-21(19)24-23;1-2(3)4/h7-10,13-14,27H,5-6,11-12H2,1-4H3;1H3,(H,3,4)"	CCN(CC)CC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)O)C.CC(=O)[O-]	WHMNPIDOCVCZKA-UHFFFAOYSA-N
DG61189	"9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazolium iodide"	3086380	"93841-50-0; 9-Methoxy-2-methylellipticinium iodide; MLS002702527; NSC155693; NSC-155693; 9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazolium iodide; 9-Methoxy-2,5,11-trimethyl-6H-pyrido(4,3-b)carbazolium iodide; 9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;iodide; SMR001566139; NSC 155693; EINECS 299-020-2; CHEMBL68096; 9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide; 6H-Pyrido[4, 9-methoxy-2,5,11-trimethyl-,iodide; {6H-Pyrido[4,3-b]carbazolium,} 9-methoxy-2,5,11-trimethyl-,iodide; 9-Methoxy-2,5,11-trimethyl-6H-2.lambda.~5~-pyrido[4,3-b]carbazole; Methyl 2,5,11-trimethyl-6H-2.lambda.~5~-pyrido[4,3-b]carbazol-9-yl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	155693	.	.	.	.	418.3	C19H19IN2O	28.9	414	.	23	1	2	1	"InChI=1S/C19H18N2O.HI/c1-11-16-10-21(3)8-7-14(16)12(2)19-18(11)15-9-13(22-4)5-6-17(15)20-19;/h5-10H,1-4H3;1H"	CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C)C.[I-]	UMHIZUSDRRRZIC-UHFFFAOYSA-N
DG61190	Allylbis(2-hydroxyethyl)octadecylammonium chloride	3086381	"93894-16-7; Allylbis(2-hydroxyethyl)octadecylammonium chloride; EINECS 299-711-9; CHEMBL2000152; DTXSID90917254; NSC176804; NSC 176804; NSC-176804; 1-Octadecanaminium,N-bis(2-hydroxyethyl)-N-2-propenyl-, chloride; N,N-Bis(2-hydroxyethyl)-N-(prop-2-en-1-yl)octadecan-1-aminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176804	.	.	.	.	434.1	C25H52ClNO2	40.5	314	.	29	2	3	23	"InChI=1S/C25H52NO2.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(20-4-2,22-24-27)23-25-28;/h4,27-28H,2-3,5-25H2,1H3;1H/q+1;/p-1"	CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC=C.[Cl-]	SCZZOCYLUDAHFS-UHFFFAOYSA-M
DG61191	CH-223191	3091786	"CH-223191; 301326-22-7; CH 223191; CH223191; UNII-HYE7315Z4C; 1-Methyl-N-[2-methyl-4-[2-(2-methylphenyl)diazenyl]phenyl-1H-pyrazole-5-carboxamide; HYE7315Z4C; CHEMBL1743245; (E)-1-methyl-N-(2-methyl-4-(o-tolyldiazenyl)phenyl)-1H-pyrazole-5-carboxamide; 1-methyl-N-{2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}-1H-pyrazole-5-carboxamide; 2-Methyl-2H-pyrazole-3-carboxylic acid (2-methyl-4-o-tolylazo-phenyl)-amide; CBDivE_007629; SCHEMBL363547; DTXSID5058698; AOB1977; EX-A771; SYN5007; CHEBI:125508; HMS3412G22; HMS3676G22; HMS3750E07; BCP12814; ZINC4762981; BDBM50525572; MFCD00377884; NSC835775; s7711; STK837883; AKOS000629906; AKOS026750492; ZINC100550218; ZINC254429865; CCG-267843; CS-3905; MCULE-3225752823; NSC-835775; 1H-Pyrazole-5-carboxamide, 1-methyl-N-(2-methyl-4-((2-methylphenyl)azo)phenyl)-; 1H-Pyrazole-5-carboxamide, 1-methyl-N-(2-methyl-4-(2-(2-methylphenyl)diazenyl)phenyl)-; 2-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]pyrazole-3-carboxamide; AC-32878; AS-16374; HY-12684; QC-11824; FT-0696668; X3558; J-017795; BRD-K22314899-001-01-6; Q27216129; Q27280162; 1-Methyl-N-(2-methyl-4-(o-tolyldiazenyl)phenyl)-1H-pyrazole-5-carboxamide; 2-methyl-N-[2-methyl-4-(2-methylphenyl)azophenyl]-3-pyrazolecarboxamide; 1-methyl-N-{2-methyl-4-[2-(2-methylphenyl)diazen-1-yl]phenyl}-1H-pyrazole-5-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	835775	.	.	.	.	333.4	C19H19N5O	71.6	482	3.9	25	1	4	4	"InChI=1S/C19H19N5O/c1-13-6-4-5-7-17(13)23-22-15-8-9-16(14(2)12-15)21-19(25)18-10-11-20-24(18)3/h4-12H,1-3H3,(H,21,25)"	CC1=CC=CC=C1N=NC2=CC(=C(C=C2)NC(=O)C3=CC=NN3C)C	LKTNEXPODAWWFM-UHFFFAOYSA-N
DG61192	"2-(2,3,3-Trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole"	3106764	"NSC665105; 2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole; 2-(2,3,3-Trichloro-1-nitro-allylidene)-2,3-dihydro-1H-benzoimidazole; CBDivE_006924; MLS000713016; CHEMBL1323364; SCHEMBL14513386; CHEBI:115526; HMS2684G04; ZINC261991; STL580864; AKOS000669248; MCULE-6382305427; NSC-665105; NCI60_022446; SMR000282783; Q27197379; 2-(2,3,3-trichloro-1-nitro-prop-2-enylidene)-1,3-dihydrobenzimidazole; 2-(2,3,3-Trichloro-1-(hydroxy(oxido)amino)-2-propenylidene)-2,3-dihydro-1H-benzimidazole; 2-(2,3,3-Trichloro-1-nitro-2-propen-1-ylidene)-2,3-dihydro-1H-benzimidazole; 2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1H-benzimidazole; 70265-24-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665105	.	.	.	.	306.5	C10H6Cl3N3O2	69.9	411	4	18	2	4	1	"InChI=1S/C10H6Cl3N3O2/c11-7(9(12)13)8(16(17)18)10-14-5-3-1-2-4-6(5)15-10/h1-4,14-15H"	C1=CC=C2C(=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2	NMWNNVAECBLGFO-UHFFFAOYSA-N
DG61193	"1-[(3E)-3,4-dichloro-2,4-dinitro-1-piperidin-1-ylbuta-1,3-dienyl]piperidine"	3107921	"NSC698394; CHEMBL1985768; AKOS000605113; NSC-698394; Piperidine,1'-(3,4-dichloro-2,4-dinitro-1,3-butadiene- 1,1-diyl)bis-, (1Z,3E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698394	.	.	.	.	379.2	C14H20Cl2N4O4	98.1	536	4	24	0	6	3	InChI=1S/C14H20Cl2N4O4/c15-11(13(16)20(23)24)12(19(21)22)14(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10H2/b13-11-	C1CCN(CC1)C(=C(/C(=C(/[N+](=O)[O-])\\Cl)/Cl)[N+](=O)[O-])N2CCCCC2	VEKLVDNSIHENSL-QBFSEMIESA-N
DG61194	"5-(1-Benzyl-1H-indol-3-ylmethylene)-pyrimidine-2,4,6-trione"	3110612	"ChemDiv3_000482; CHEMBL466643; SCHEMBL3257156; HMS1474F20; 5-(1-Benzyl-1H-indol-3-ylmethylene)-pyrimidine-2,4,6-trione; ZINC8974182; NSC748583; STK712141; AKOS000599193; MCULE-1183365466; NSC-748583; BRD-K09733474-001-01-7; 5-[(1-benzyl-1H-indol-3-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748583	.	.	.	.	345.4	C20H15N3O3	80.2	602	2.6	26	2	3	3	"InChI=1S/C20H15N3O3/c24-18-16(19(25)22-20(26)21-18)10-14-12-23(11-13-6-2-1-3-7-13)17-9-5-4-8-15(14)17/h1-10,12H,11H2,(H2,21,22,24,25,26)"	C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=O)NC4=O	FPGWJDJJATWIGG-UHFFFAOYSA-N
DG61195	"5-(1-Benzyl-1H-indol-3-ylmethylene)-1,3-dimethyl-pyrimidine-2,4,6-trione"	3114175	"CHEMBL511553; ZINC4797619; NSC748742; STK325130; 5-(1-Benzyl-1H-indol-3-ylmethylene)-1,3-dimethyl-pyrimidine-2,4,6-trione; AKOS000518558; MCULE-9524166738; NSC-748742; 5-[(1-benzyl-1H-indol-3-yl)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748742	.	.	.	.	373.4	C22H19N3O3	62.6	657	3	28	0	3	3	"InChI=1S/C22H19N3O3/c1-23-20(26)18(21(27)24(2)22(23)28)12-16-14-25(13-15-8-4-3-5-9-15)19-11-7-6-10-17(16)19/h3-12,14H,13H2,1-2H3"	CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)N(C1=O)C	VLNKFANNJDIHFV-UHFFFAOYSA-N
DG61196	"2,7-bis(4-Hydroxybutyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone"	3130863	"GNF-Pf-3184; MLS000717951; SMR000279519; 2,7-bis(4-Hydroxybutyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone; BAS 01367346; CHEMBL581225; SCHEMBL18470151; BDBM55682; cid_3130863; HMS2697N08; ZINC4905901; MMV009085; NSC766788; STK843110; AKOS000641011; MCULE-4979385374; NSC-766788; SR-01000311110; SR-01000311110-1; Benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, 2,7-bis(4-hydroxybutyl)-; 298217-59-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766788	.	.	.	.	410.4	C22H22N2O6	115	616	1.2	30	2	6	8	"InChI=1S/C22H22N2O6/c25-11-3-1-9-23-19(27)13-5-7-15-18-16(8-6-14(17(13)18)20(23)28)22(30)24(21(15)29)10-2-4-12-26/h5-8,25-26H,1-4,9-12H2"	C1=CC2=C3C(=CC=C4C3=C1C(=O)N(C4=O)CCCCO)C(=O)N(C2=O)CCCCO	XZBVMYTVRGGDKI-UHFFFAOYSA-N
DG61197	"1-(5-Phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)naphthalen-2-ol"	3136570	"CBMicro_027834; CHEMBL520851; SCHEMBL12692358; BDBM158512; US9034574, XXII; 1-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)naphthalen-2-ol; NSC752631; STK369943; AKOS000608476; AKOS030484840; MCULE-3769553838; NSC-752631; BIM-0027815.P001; AB00093094-01; 1-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-naphthol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752631	.	.	.	.	306.4	C18H14N2OS	69.9	421	5	22	2	4	2	"InChI=1S/C18H14N2OS/c21-15-11-10-12-6-4-5-9-14(12)16(15)18-20-19-17(22-18)13-7-2-1-3-8-13/h1-11,18,20-21H"	C1=CC=C(C=C1)C2=NNC(S2)C3=C(C=CC4=CC=CC=C43)O	QIHMPEZAXBQNBF-UHFFFAOYSA-N
DG61198	"2-(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-N-(2-methoxyphenyl)butanamide"	3152990	"522650-83-5; SW044248; SW-044248; 2-(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-N-(2-methoxyphenyl)butanamide; 2-((5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-N-(2-methoxyphenyl)butanamide; 2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2-methoxyphenyl)butanamide; Oprea1_566576; HMS1615G08; BCP16844; EX-A2360; MFCD03487851; NSC789797; s6747; STK119518; AKOS000716421; CS-5386; MCULE-9026704095; NSC-789797; 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2-methoxyphenyl)butanamide; AS-77801; HY-19637; SW 044248; EU-0048121; SW044248, >=98% (HPLC); A857426; 2-(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-N-(2-methoxyphenyl)butanamide;SW044248"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789797	.	.	.	.	421.5	C22H23N5O2S	107	582	4	30	1	6	7	"InChI=1S/C22H23N5O2S/c1-4-18(21(28)23-15-11-7-9-13-17(15)29-3)30-22-24-20-19(25-26-22)14-10-6-8-12-16(14)27(20)5-2/h6-13,18H,4-5H2,1-3H3,(H,23,28)"	CCC(C(=O)NC1=CC=CC=C1OC)SC2=NC3=C(C4=CC=CC=C4N3CC)N=N2	PEVRGVRHMMZNGI-UHFFFAOYSA-N
DG61199	"2-amino-4-(2-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile"	3155404	"2-amino-4-(2-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile; CCG-25925; NSC737794; STK788644; AKOS000672602; AKOS022012699; MCULE-8482991350; NSC-737794; SR-01000521579; SR-01000521579-1; 2-amino-4-(2-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-3-yl cyanide; 2-amino-4-(2-methoxyphenyl)-5-oxo-5,7,8-tetrahydro-4H-chro mene-3-carbonitrile; 2-amino-5,6,7,8-tetrahydro-4-(2-methoxyphenyl)-5-oxo-4h-chromene-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737794	.	.	.	.	296.32	C17H16N2O3	85.3	596	2	22	1	5	2	"InChI=1S/C17H16N2O3/c1-21-13-7-3-2-5-10(13)15-11(9-18)17(19)22-14-8-4-6-12(20)16(14)15/h2-3,5,7,15H,4,6,8,19H2,1H3"	COC1=CC=CC=C1C2C(=C(OC3=C2C(=O)CCC3)N)C#N	JULYGUIJHXRQJF-UHFFFAOYSA-N
DG61200	"Methyl 4-(1-ethyl-6-methyl-5,7-dioxo-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazin-3-yl)benzoate"	3164076	"CHEMBL2028043; SCHEMBL15032588; BDBM188293; MMV306025; NSC766601; STL560614; AKOS000715023; CCG-144075; MCULE-1792233628; NSC-766601; MLS-0066982.0001; MLS-0066982.0002; US9073941, 128; D052-0149; methyl 4-(1-ethyl-6-methyl-5,7-dioxo-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazin-3-yl)benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766601	.	.	.	.	341.32	C16H15N5O4	104	703	1.2	25	0	5	4	"InChI=1S/C16H15N5O4/c1-4-21-13-11(14(22)20(2)16(24)18-13)17-12(19-21)9-5-7-10(8-6-9)15(23)25-3/h5-8H,4H2,1-3H3"	CCN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)C(=O)OC)C	MFSAGTMHCKNNCQ-UHFFFAOYSA-N
DG61201	C.I. Mordant black 11	3246023	"25747-08-4; C.I. MORDANT BLACK 11; Solochrome Black; Potting Black C; Chrome Black PB; Chrome Black T; Chrome Black TK; Chrome Black TX; Diamond Black PT; NSC-7223; Schultz No. 241; CHEMBL459510; 2-hydroxy-1-(1-hydroxy-2-naphthylazo)-6-nitro-4-naphthalenesulfonic acid; 3-Hydroxy-4-[(1-hydroxynaphthalen-2-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid; NSC7223; 1-Naphthalenesulfonic acid, 3-hydroxy-4-((1-hydroxy-2-naphthalenyl)azo)-7-nitro-; BC 78924; C.I. 14645; 3-Hydroxy-4-((1-hydroxy-2-naphthyl)azo)-7-nitronaphthalene-1-sulphonic acid; 1-Naphthalenesulfonic acid, 3-hydroxy-4-(2-(1-hydroxy-2-naphthalenyl)diazenyl)-7-nitro-; NSC47712; 1-Naphthalenesulfonic acid, 3-hydroxy-4-[2-(1-hydroxy-2-naphthalenyl)diazenyl]-7-nitro-; EINECS 247-237-8; NCIStruc1_001126; NCIStruc2_001169; SCHEMBL1470827; CHEMBL1513643; DTXSID0067137; SCHEMBL14860593; SCHEMBL14860595; BDBM25317; CHEBI:92292; NCI7223; ZINC3953823; BDBM50461938; CCG-37720; HSCI1_000309; NCGC00013074; ZINC12405091; ZINC261099982; 3-Hydroxy-4-((1-hydroxy-2-naphthalenyl)azo)-7-nitro-1-naphthalenesulfonic acid; NCGC00013074-02; NCGC00096198-01; NCI60_041574; ChemBridge nitronaphthalene-1-sulfonic acid, 14; BRD-K16233984-236-01-4; Q27164048; 1-(1-hydroxy-2-naphthylazo)-6-nitro-2-naphthol-4-sulfonic acid; 3-hydroxy-4-[(E)-(1-hydroxy-2-naphthyl)azo]-7-nitro-naphthalene-1-sulfonic acid; 4-[(1-hydroxy-2-naphthalenyl)hydrazinylidene]-7-nitro-3-oxo-1-naphthalenesulfonic acid; 3-Hydroxy-4-((1-hydroxy-2-naphthyl)diazenyl)-7-(hydroxy(oxido)amino)-1-naphthalenesulfonic acid; 3-hydroxy-4-[(E)-2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]-7-nitronaphthalene-1-sulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7223	.	.	.	.	439.4	C20H13N3O7S	174	796	4.1	31	3	9	3	"InChI=1S/C20H13N3O7S/c24-17-10-18(31(28,29)30)15-9-12(23(26)27)6-7-14(15)19(17)22-21-16-8-5-11-3-1-2-4-13(11)20(16)25/h1-10,24-25H,(H,28,29,30)"	C1=CC=C2C(=C1)C=CC(=C2O)N=NC3=C4C=CC(=CC4=C(C=C3O)S(=O)(=O)O)[N+](=O)[O-]	GDHWAXDSTKHEAZ-UHFFFAOYSA-N
DG61202	2-amino-6-((5-(hydroxy(oxido)amino)-6-(methylamino)-4-pyrimidinyl)thio)-9H-purine	3246138	NSC38732; MLS002702843; NSC-38732; NCIStruc1_001190; NCIStruc2_001322; CHEMBL1318140; SCHEMBL12920816; NCI38732; ZINC8565029; CCG-36779; NCGC00013446; NCGC00013446-02; NCGC00096561-01; NCI60_003689; SMR001566666; 2-amino-6-((5-(hydroxy(oxido)amino)-6-(methylamino)-4-pyrimidinyl)thio)-9H-purine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38732	.	.	.	.	319.31	C10H9N9O2S	189	410	1.5	22	3	10	3	"InChI=1S/C10H9N9O2S/c1-12-7-5(19(20)21)9(16-3-15-7)22-8-4-6(14-2-13-4)17-10(11)18-8/h2-3H,1H3,(H,12,15,16)(H3,11,13,14,17,18)"	CNC1=C(C(=NC=N1)SC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-]	URIYRDCSAYRGKI-UHFFFAOYSA-N
DG61203	2-((2-amino-9H-purin-6-yl)thio)-1-(4-bromophenyl)ethanone	3246139	NSC38733; NSC-38733; NCI60_003690; NCIStruc1_001230; NCIStruc2_001525; SCHEMBL1464157; CHEMBL1593853; SCHEMBL12920817; ZINC1670869; CCG-36912; NCGC00013447; NCGC00013447-02; NCGC00096562-01; 2-((2-amino-9H-purin-6-yl)thio)-1-(4-bromophenyl)ethanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38733	.	.	.	.	364.22	C13H10BrN5OS	123	380	2.4	21	2	6	4	"InChI=1S/C13H10BrN5OS/c14-8-3-1-7(2-4-8)9(20)5-21-12-10-11(17-6-16-10)18-13(15)19-12/h1-4,6H,5H2,(H3,15,16,17,18,19)"	C1=CC(=CC=C1C(=O)CSC2=NC(=NC3=C2NC=N3)N)Br	QCIUQGMYQZLWQV-UHFFFAOYSA-N
DG61204	"1H-Purin-2-amine, 6-[[(2-nitrophenyl)methyl]thio]-"	3246141	"NSC38737; NSC-38737; NCIStruc1_001238; NCIStruc2_001327; CHEMBL64569; SCHEMBL15871499; ZINC1670873; CCG-36685; NCGC00013449; NCGC00013449-02; NCGC00096564-01; NCI60_003692; Purine, 2-amino-6-(O-nitrobenzylthio)-; 1H-Purin-2-amine, 6-[[(2-nitrophenyl)methyl]thio]-; 2-amino-6-((2-(hydroxy(oxido)amino)benzyl)thio)-9H-purine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38737	.	.	.	.	302.31	C12H10N6O2S	152	381	1.9	21	2	7	3	"InChI=1S/C12H10N6O2S/c13-12-16-10-9(14-6-15-10)11(17-12)21-5-7-3-1-2-4-8(7)18(19)20/h1-4,6H,5H2,(H3,13,14,15,16,17)"	C1=CC=C(C(=C1)CSC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-]	ZOPQOYFSTHMWDX-UHFFFAOYSA-N
DG61205	4-((6-mercapto-9H-purin-8-yl)diazenyl)benzenesulfonamide	3246283	"NSC75140; NSC-75140; NCGC00013821; NCIStruc1_001530; NCIStruc2_001292; CHEMBL1354961; CHEMBL1994689; NCI75140; ZINC3954132; CCG-36538; ZINC12410593; NCGC00013821-02; NCGC00013821-03; NCGC00096931-01; NCI60_041641; 4-((6-mercapto-9H-purin-8-yl)diazenyl)benzenesulfonamide; Benzenesulfonamide,7-dihydro-7-thioxo-1H-purin-8-yl)azo]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	75140	.	.	.	.	335.4	C11H9N7O2S2	178	592	0.8	22	3	7	3	"InChI=1S/C11H9N7O2S2/c12-22(19,20)7-3-1-6(2-4-7)17-18-11-15-8-9(16-11)13-5-14-10(8)21/h1-5H,(H2,12,19,20)(H2,13,14,15,16,21)"	C1=CC(=CC=C1N=NC2=NC3=C(N2)C(=S)N=CN3)S(=O)(=O)N	KECAPWAPGSULDL-UHFFFAOYSA-N
DG61206	5-(6-mercapto-9H-purin-9-yl)pentanoic acid	3246285	NSC75747; 3342-88-9; NSC-75747; 5-(6-mercapto-9H-purin-9-yl)pentanoic acid; 5-(6-sulfanylidene-3H-purin-9-yl)pentanoic acid; CHEMBL1530801; DTXSID70390566; NCI75747; ZINC1701753; CCG-36706; NCGC00013827; NCGC00013827-02; NCGC00096937-01; NCI60_041660; DS-005591	.	.	Investigative Drug(s)	Investigative	Small molecular drug	75747	.	.	.	.	252.3	C10H12N4O2S	112	347	0.2	17	2	4	5	"InChI=1S/C10H12N4O2S/c15-7(16)3-1-2-4-14-6-13-8-9(14)11-5-12-10(8)17/h5-6H,1-4H2,(H,15,16)(H,11,12,17)"	C1=NC(=S)C2=C(N1)N(C=N2)CCCCC(=O)O	HESBYUPLTBYGLR-UHFFFAOYSA-N
DG61207	(2-Aminoethyl)dithiocarbamic acid	3246302	"2-aminoethylcarbamodithioic acid; 20950-84-9; (2-Aminoethyl)dithiocarbamic acid; NSC83224; UNII-925876PZ8X; (2-Aminoethyl)carbamodithioic acid; NSC-83224; 925876PZ8X; (2-aminoethyl)[sulfanyl(carbonothioyl)]amine; Preparation 275; NCIStruc1_001878; NCIStruc2_000246; 2-Aminoethyldithiocarbamic acid; C3H8N2S2; SCHEMBL9705606; 2-aminoethyl dithiocarbamic acid; 2-azanylethylcarbamodithioic acid; CHEMBL1528688; beta-Aminoethyldithiocarbamic acid; Acide amino-2 ethyldithiocarbamique; NCI83224; 7081AF; CCG-37656; NCGC00013870; NSC 83224; ZINC22911737; AKOS006275161; MCULE-8842503501; BRN 1747220; NCGC00013870-02; NCGC00096980-01; (2-amino-ethylamino)-methanedithioic acid; NCI60_041829; AI3-18629; Acide amino-2 ethyldithiocarbamique [French]; FT-0652551; CARBAMODITHIOIC ACID, (2-AMINOETHYL)-; 0-04-00-00254 (Beilstein Handbook Reference); A815044; Carbamic acid, (2-aminoethyl)dithio- (7CI,8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83224	.	.	.	.	136.24	C3H8N2S2	71.1	64	-0.2	7	3	3	2	"InChI=1S/C3H8N2S2/c4-1-2-5-3(6)7/h1-2,4H2,(H2,5,6,7)"	C(CNC(=S)S)N	NJGRNRAXMBFJJY-UHFFFAOYSA-N
DG61208	2-Amino-5-(3-anilinopropyl)-6-methyl-4-pyrimidinethiol	3246306	NSC85069; MLS002694579; NSC-85069; 2360-68-1; NCIStruc1_000504; NCIStruc2_000332; CHEMBL1606337; DTXSID60390570; HMS3094E23; NCI85069; ZINC1752163; CCG-36679; NCGC00013886; NCGC00013886-02; NCGC00096996-01; NCI60_041865; SMR001560504; 2-amino-5-(3-anilinopropyl)-6-methyl-4-pyrimidinethiol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85069	.	.	.	.	274.39	C14H18N4S	94.5	394	2	19	3	2	5	"InChI=1S/C14H18N4S/c1-10-12(13(19)18-14(15)17-10)8-5-9-16-11-6-3-2-4-7-11/h2-4,6-7,16H,5,8-9H2,1H3,(H3,15,17,18,19)"	CC1=C(C(=S)N=C(N1)N)CCCNC2=CC=CC=C2	OSFBHNAFTQFYPO-UHFFFAOYSA-N
DG61209	(Z)-3-cyano-2-hydroxy-3-(4-naphthalen-1-ylphenyl)prop-2-enoic acid	3246307	NSC85372; NSC-85372; CHEMBL1449777; NCGC00013892; ZINC31659433; NCGC00013892-02; NCGC00097002-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85372	.	.	.	.	315.3	C20H13NO3	81.3	551	4.1	24	2	4	3	"InChI=1S/C20H13NO3/c21-12-18(19(22)20(23)24)15-10-8-14(9-11-15)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,22H,(H,23,24)/b19-18+"	C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)/C(=C(\\C(=O)O)/O)/C#N	ZYQBEJQFCQZLMX-VHEBQXMUSA-N
DG61210	"Mercury, (p-carboxyphenyl)(purin-6-ylthio)-"	3246339	"NSC92585; NSC-92585; Mercury, (p-carboxyphenyl)(purin-6-ylthio)-; NCI60_042054; NCI92585; CCG-37261; NCGC00013964; NCGC00013964-02; NCGC00097073-01; Benzoic acid, p-[(purin-6-ylthio)mercuri]-; Mercury,7-dihydro-6H-purine-6-thionato-S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92585	.	.	.	.	472.88	C12H8HgN4O2S	117	354	.	20	2	6	4	"InChI=1S/C7H5O2.C5H4N4S.Hg/c8-7(9)6-4-2-1-3-5-6;10-5-3-4(7-1-6-3)8-2-9-5;/h2-5H,(H,8,9);1-2H,(H2,6,7,8,9,10);/q;;+1/p-1"	C1=CC(=CC=C1C(=O)O)[Hg]SC2=NC=NC3=C2NC=N3	ABJPEFQUUBDHMZ-UHFFFAOYSA-M
DG61211	"2-(2-((1,3-dimethyl-2-oxo-6-thioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)thio)ethyl)-1H-isoindole-1,3(2H)-dione"	3246362	"NSC99671; NSC-99671; 6493-00-1; NCIStruc1_001455; NCIStruc2_001644; CHEMBL1741359; DTXSID20390571; NCI99671; CCG-37279; NCGC00014038; ZINC100132697; NCGC00014038-02; NCGC00097147-01; NCI60_042237; 2-(2-((1,3-dimethyl-2-oxo-6-thioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)thio)ethyl)-1H-isoindole-1,3(2H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99671	.	.	.	.	401.5	C17H15N5O3S2	147	666	1.7	27	1	6	4	"InChI=1S/C17H15N5O3S2/c1-20-12-11(15(26)21(2)17(20)25)18-16(19-12)27-8-7-22-13(23)9-5-3-4-6-10(9)14(22)24/h3-6H,7-8H2,1-2H3,(H,18,19)"	CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCN3C(=O)C4=CC=CC=C4C3=O	KRVABNNUQOZRNS-UHFFFAOYSA-N
DG61212	"1,3-Dimethyl-8-[(3-phenylpropyl)thio]-6-thioxo-1,6-dihydro-7H-purine-2(3H)-one"	3246363	"NSC99676; NSC-99676; 6493-02-3; NCIStruc1_001297; NCIStruc2_001000; CHEMBL1604377; SCHEMBL13609255; DTXSID80390572; NCI99676; CCG-36629; NCGC00014039; ZINC100132692; NCGC00014039-02; NCGC00097148-01; NCI60_042238; 1,3-dimethyl-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one; 1,3-Dimethyl-8-[(3-phenylpropyl)thio]-6-thioxo-1,6-dihydro-7H-purine-2(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99676	.	.	.	.	346.5	C16H18N4OS2	110	455	3.4	23	1	4	5	"InChI=1S/C16H18N4OS2/c1-19-13-12(14(22)20(2)16(19)21)17-15(18-13)23-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,17,18)"	CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCCC3=CC=CC=C3	KGKBAVZYEBZEGC-UHFFFAOYSA-N
DG61213	"4-aminobenzoic acid; 7H-purine-2,6-diamine; sulfuric acid"	3246385	"NSC109188; NSC-109188; NCGC00014101; CHEMBL1741432; 4-aminobenzoic acid; 7H-purine-2,6-diamine; sulfuric acid; CCG-36603; NCI109188; NCGC00014101-02; NCGC00097210-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109188	.	.	.	.	385.36	C12H15N7O6S	253	359	.	26	7	12	1	"InChI=1S/C7H7NO2.C5H6N6.H2O4S/c8-6-3-1-5(2-4-6)7(9)10;6-3-2-4(9-1-8-2)11-5(7)10-3;1-5(2,3)4/h1-4H,8H2,(H,9,10);1H,(H5,6,7,8,9,10,11);(H2,1,2,3,4)"	C1=CC(=CC=C1C(=O)O)N.C1=NC2=NC(=NC(=C2N1)N)N.OS(=O)(=O)O	UORYDOUKEGCWSE-UHFFFAOYSA-N
DG61214	3-[2-(2-Nitrophenyl)hydrazinyl]-2-oxoindole-5-sulfonic acid	3246406	"NSC-117199; 21303-44-6; NSC117199; 3-[2-(2-nitrophenyl)hydrazinyl]-2-oxoindole-5-sulfonic acid; NCIStruc1_001516; NCIStruc2_001151; CHEMBL502257; SCHEMBL4417241; SCHEMBL15896784; DTXSID90417724; BDBM152151; CCG-37248; NCGC00014175; NCI117199; ZINC13099299; NCGC00014175-02; NCGC00097284-01; NCI60_000404; US8987474, HL1-056 (NSC-117199); 2-Hydroxy-3-[(2-nitrophenyl)diazenyl]-1H-indole-5-sulfonic acid; 3-((2-(hydroxy(oxido)amino)phenyl)hydrazono)-2-oxo-5-indolinesulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117199	.	.	.	.	362.32	C14H10N4O6S	169	630	2.4	25	3	8	3	"InChI=1S/C14H10N4O6S/c19-14-13(17-16-11-3-1-2-4-12(11)18(20)21)9-7-8(25(22,23)24)5-6-10(9)15-14/h1-7,15,19H,(H,22,23,24)"	C1=CC=C(C(=C1)N=NC2=C(NC3=C2C=C(C=C3)S(=O)(=O)O)O)[N+](=O)[O-]	ZJSOBJXQXMFSSR-UHFFFAOYSA-N
DG61215	"4-((4,5-dihydroxy-8-(hydroxy(oxido)amino)-9,10-dioxo-9,10-dihydro-1-anthracenyl)amino)-N,N-dimethylbenzenesulfonamide"	3246414	"NSC117949; NSC-117949; NCIStruc1_001478; NCIStruc2_001689; CHEMBL1373587; SCHEMBL13856946; CCG-37704; NCGC00014195; NCI117949; ZINC33363604; NCGC00014195-02; NCGC00097304-01; NCI60_000428; 4-((4,5-dihydroxy-8-(hydroxy(oxido)amino)-9,10-dioxo-9,10-dihydro-1-anthracenyl)amino)-N,N-dimethylbenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117949	.	.	.	.	483.5	C22H17N3O8S	178	921	3.8	34	3	10	4	"InChI=1S/C22H17N3O8S/c1-24(2)34(32,33)12-5-3-11(4-6-12)23-13-7-9-15(26)19-17(13)21(28)18-14(25(30)31)8-10-16(27)20(18)22(19)29/h3-10,23,26-27H,1-2H3"	CN(C)S(=O)(=O)C1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)[N+](=O)[O-])O	BBBZZDRRJUPEIV-UHFFFAOYSA-N
DG61216	"2-Oxido-3-(piperidin-1-ylmethyl)-4-aza-2-azoniatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene"	3246550	"NSC194598; NSC-194598; 5358-76-9; NCIStruc1_001939; NCIStruc2_001542; CHEMBL1358007; DTXSID40390578; NCGC00014545; NCI194598; ZINC57680052; NCGC00014545-02; NCGC00097649-01; NCI60_001625; 2-(1-piperidinylmethyl)-15-indeno[1,2,3-de]quinazolin-1-ol; 2-(Piperidin-1-ylmethyl)indeno[1,2,3-de]quinazoline 1-oxide; Indeno[1,3-de]quinazoline, 2-(1-piperidinylmethyl)-, 1-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	194598	.	.	.	.	317.4	C20H19N3O	41.6	452	2.6	24	0	3	2	"InChI=1S/C20H19N3O/c24-23-18(13-22-11-4-1-5-12-22)21-17-10-6-9-15-14-7-2-3-8-16(14)20(23)19(15)17/h2-3,6-10H,1,4-5,11-13H2"	C1CCN(CC1)CC2=NC3=CC=CC4=C3C(=[N+]2[O-])C5=CC=CC=C45	XLBPYZGSLNDDSB-UHFFFAOYSA-N
DG61217	1-(4-Chloro-7-methoxy-2-quinolyl)-3-phenyl-2-thiourea	3246633	NSC319995; NSC-319995; NCIStruc1_001647; NCIStruc2_001387; SCHEMBL5450283; CHEMBL1415100; ZINC5550327; CCG-37047; NCGC00014728; NCI319995; AKOS024335774; MCULE-1531697538; NCGC00014728-02; NCGC00097829-01; NCI60_002763; 1-(4-chloro-7-methoxy-2-quinolyl)-3-phenyl-2-thiourea; N-(4-chloro-7-methoxy-2-quinolinyl)-N'-phenylthiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319995	.	.	.	.	343.8	C17H14ClN3OS	78.3	405	4.3	23	2	3	3	"InChI=1S/C17H14ClN3OS/c1-22-12-7-8-13-14(18)10-16(20-15(13)9-12)21-17(23)19-11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,20,21,23)"	COC1=CC2=C(C=C1)C(=CC(=N2)NC(=S)NC3=CC=CC=C3)Cl	HZVNREMABNFFPU-UHFFFAOYSA-N
DG61218	"4-(6-Thioguanine)-7-nitro-2,1,3-benzoxadiazole"	3246652	"NSC348401; NSC-348401; MLS002702961; NCI60_003096; NCIStruc1_001919; NCIStruc2_001978; CHEMBL515505; SCHEMBL3705826; BDBM25464; ZINC3954595; CCG-37146; NCGC00014798; NCGC00014798-02; NCGC00097899-01; SMR001566775; 4-(6-Thioguanine)-7-nitro-2,3-benzoxadiazole; 4-(6-Thioguanine)-7-nitro-2,1,3-benzoxadiazole; 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-9H-purin-2-amine; 2-amino-6-((7-(hydroxy(oxido)amino)-2,1,3-benzoxadiazol-4-yl)thio)-9H-purine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	348401	.	.	.	.	330.28	C11H6N8O3S	191	467	1.2	23	2	10	2	"InChI=1S/C11H6N8O3S/c12-11-15-9-8(13-3-14-9)10(16-11)23-5-2-1-4(19(20)21)6-7(5)18-22-17-6/h1-3H,(H3,12,13,14,15,16)"	C1=C(C2=NON=C2C(=C1)SC3=NC(=NC4=C3NC=N4)N)[N+](=O)[O-]	NPXXCZXQTLRXTP-UHFFFAOYSA-N
DG61219	NSC373529	3246685	"Acetic acid;5,12-bis[(4-methylpiperazin-1-yl)methyl]-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone; NSC373529; NSC-373529; CHEMBL1483263; NCGC00014871; NCGC00097972-01; {4,8-Ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-1,3,5,7(2H,} 6H)-tetrone,3a,3b,4,4a,7a,8,8a,8b-octahydro-2, {6-bis[(4-methyl-1-piperazinyl)methyl]-,} acetate (4:9); 4,4':3,4]cyclobut[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone,3a,3b,4,4a,7a,8,8a,8b-octahydro-2,6-bis[(4-methyl-1-piperazinyl)methyl]-, acetate (4:9)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373529	.	.	.	.	556.7	C28H40N6O6	125	1010	.	40	1	10	4	"InChI=1S/C26H36N6O4.C2H4O2/c1-27-5-9-29(10-6-27)13-31-23(33)19-15-3-4-16(20(19)24(31)34)18-17(15)21-22(18)26(36)32(25(21)35)14-30-11-7-28(2)8-12-30;1-2(3)4/h3-4,15-22H,5-14H2,1-2H3;1H3,(H,3,4)"	CC(=O)O.CN1CCN(CC1)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)CN7CCN(CC7)C	XDUQDAZUBUSQSK-UHFFFAOYSA-N
DG61220	9-Glycineamido-20(S)-camptothecin.HCl	3246719	MLS000756803; 9-Glycineamido-20(S)-camptothecin.HCl; NSC-639174; SMR000529074; NSC639174; CHEMBL1445386; BDBM87323; cid_3246719; CCG-37461; NCGC00014953; NCI639174; NCGC00098053-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639174	.	.	.	.	456.9	C22H21ClN4O5	135	898	.	32	4	7	3	"InChI=1S/C22H20N4O5.ClH/c1-2-22(30)14-7-17-19-11(9-26(17)20(28)13(14)10-31-21(22)29)6-12-15(24-18(27)8-23)4-3-5-16(12)25-19;/h3-7,30H,2,8-10,23H2,1H3,(H,24,27);1H/t22-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5NC(=O)CN)N=C4C3=C2)O.Cl	LYLOFHMTQZERLJ-FTBISJDPSA-N
DG61221	"6-Bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)quinazoline"	3252078	"ChemDivAM_000579; ChemDiv1_028620; Oprea1_047610; Oprea1_407910; C18H22BrN3; MLS000552696; CHEMBL1421779; HMS668E20; HMS2582M18; 6-bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)quinazoline; NSC727848; STK969499; AKOS002305410; AKOS016323438; MCULE-1617554697; NSC-727848; SMR000146211; SR-01000485177; SR-01000485177-1; F0916-2606; 6-Bromo-4-(1,3,3-trimethyl-6-aza-bicyclo[3.2.1]oct-6-yl)-quinazoline; 6-bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)quinazoline; 329227-63-6; 4-(1,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-6-quinazolin yl bromide 6-bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)quina zoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727848	.	.	.	.	360.3	C18H22BrN3	29	440	5.2	22	0	3	1	"InChI=1S/C18H22BrN3/c1-17(2)7-13-8-18(3,9-17)10-22(13)16-14-6-12(19)4-5-15(14)20-11-21-16/h4-6,11,13H,7-10H2,1-3H3"	CC1(CC2CC(C1)(CN2C3=NC=NC4=C3C=C(C=C4)Br)C)C	NNEVMBDBIWBOIP-UHFFFAOYSA-N
DG61222	"3-phenyl-4-(phenyliminomethyl)-2H-1,2-oxazole-5-thione"	3259678	NSC619161; CHEMBL1983294; ZINC17176686; ZINC104274885; NSC-619161; NCI60_005698	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619161	.	.	.	.	280.3	C16H12N2OS	65.7	418	4.1	20	1	4	3	"InChI=1S/C16H12N2OS/c20-16-14(11-17-13-9-5-2-6-10-13)15(18-19-16)12-7-3-1-4-8-12/h1-11,18H"	C1=CC=C(C=C1)C2=C(C(=S)ON2)C=NC3=CC=CC=C3	NIPUVEQOMNBTGO-UHFFFAOYSA-N
DG61223	"2,4-Diamino-6-ethyl-5-(3-azido-4-morpholinophenyl)pyrimidine"	3292208	"CHEMBL312282; NCI60_003641; BDBM50405835; NSC382032; NSC-382032; 2,4-Diamino-6-ethyl-5-(3-azido-4-morpholinophenyl)pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382032	.	.	.	.	340.38	C16H20N8O	105	479	2.5	25	2	8	4	"InChI=1S/C16H20N8O/c1-2-11-14(15(17)21-16(18)20-11)10-3-4-13(12(9-10)22-23-19)24-5-7-25-8-6-24/h3-4,9H,2,5-8H2,1H3,(H4,17,18,20,21)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N3CCOCC3)N=[N+]=[N-]	NBZYENDSLBAYPK-UHFFFAOYSA-N
DG61224	NSC652149	3303944	"1-diisopropoxyphosphoryl-N-[2-[(E)-[diisopropoxyphosphoryl-[2-(4-nitrophenyl)hydrazino]methylene]amino]ethyl]-N'-(4-nitroanilino)formamidine; NSC652149; CHEMBL1999713; ZINC82195319; AKOS032427013; MCULE-6870468191; NSC-652149; NCI60_018254; 1-diisopropoxyphosphoryl-N-[2-[(E)-[diisopropoxyphosphoryl-[2-(4-nitrophenyl)hydrazino]methylene]amino]ethyl]-N'-(4-nitroanilino)formamidine; Diisopropyl 1-(2-(4-(hydroxy(oxido)amino)phenyl)hydrazino)-6-((4-(hydroxy(oxido)amino)phenyl)hydrazono)-7-isopropoxy-9-methyl-7-oxido-8-oxa-2,5-diaza-7-phosphadec-1-en-1-ylphosphonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652149	.	.	.	.	714.6	C28H44N8O10P2	236	1060	5.9	48	4	14	19	"InChI=1S/C28H44N8O10P2/c1-19(2)43-47(41,44-20(3)4)27(33-31-23-9-13-25(14-10-23)35(37)38)29-17-18-30-28(48(42,45-21(5)6)46-22(7)8)34-32-24-11-15-26(16-12-24)36(39)40/h9-16,19-22,31-32H,17-18H2,1-8H3,(H,29,33)(H,30,34)"	CC(C)OP(=O)(C(=NCCN=C(NNC1=CC=C(C=C1)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C)NNC2=CC=C(C=C2)[N+](=O)[O-])OC(C)C	UUCVCDGQOYSCGU-UHFFFAOYSA-N
DG61225	"2,7-dichloro-1H-imidazo[1,2-c]pyrimidine-5-thione"	3317089	"27420-36-6; 2,7-dichloro-1H-imidazo[1,2-c]pyrimidine-5-thione; NSC131919; CHEMBL1984253; DTXSID50391394; ZINC1719428; NSC-131919; NCI60_000706"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131919	.	.	.	.	220.08	C6H3Cl2N3S	59.7	345	1.9	12	1	2	0	"InChI=1S/C6H3Cl2N3S/c7-3-1-5-9-4(8)2-11(5)6(12)10-3/h1-2,9H"	C1=C2NC(=CN2C(=S)N=C1Cl)Cl	NDQMCBYRPOZJNV-UHFFFAOYSA-N
DG61226	"4-[(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)amino]-N-[(oxolan-2-yl)methyl]benzamide"	3317510	"NSC732845; ZINC00960062; AKOS001146648; AKOS016890645; MCULE-6441447363; NSC-732845; UPCMLD0ENAT5432599:001; Z104342704; 2-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamidomethyl]tetrahydrofuran; 4-[(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)amino]-N-[(oxolan-2-yl)methyl]benzamide; 785846-34-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732845	.	.	.	.	439.9	C23H22ClN3O4	87.7	726	3.2	31	2	5	7	"InChI=1S/C23H22ClN3O4/c24-19-20(23(30)27(22(19)29)14-15-5-2-1-3-6-15)26-17-10-8-16(9-11-17)21(28)25-13-18-7-4-12-31-18/h1-3,5-6,8-11,18,26H,4,7,12-14H2,(H,25,28)"	C1CC(OC1)CNC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl	GMMUNBOTDCYHHF-UHFFFAOYSA-N
DG61227	NSC357594	3332004	"Magnesium;5-(hydroxymethyl)-4-[[2-[[5-(hydroxymethyl)-2-methyl-3-oxidopyridin-4-yl]methylideneazaniumyl]-4,5-dimethylphenyl]azaniumylidenemethyl]-2-methylpyridin-3-olate; NSC357594; NSC-357594"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357594	.	.	.	.	458.8	C24H26MgN4O4+2	140	600	.	33	4	6	2	"InChI=1S/C24H26N4O4.Mg/c1-13-5-21(27-9-19-17(11-29)7-25-15(3)23(19)31)22(6-14(13)2)28-10-20-18(12-30)8-26-16(4)24(20)32;/h5-10,29-32H,11-12H2,1-4H3;/q;+2"	CC1=CC(=C(C=C1C)[NH+]=CC2=C(C(=NC=C2CO)C)[O-])[NH+]=CC3=C(C(=NC=C3CO)C)[O-].[Mg+2]	DQWCGRAFQMGNJY-UHFFFAOYSA-N
DG61228	"3-amino-5-oxo-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	3334329	"Oprea1_792944; IFLab1_004783; CHEMBL2205751; HMS1425J09; ZINC4162701; NSC754670; STL335988; AKOS022135761; MCULE-1753673557; NSC-754670; IDI1_010538; EU-0078738; SR-01000497098; SR-01000497098-1; 3-amino-5-oxo-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; 442556-67-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754670	.	.	.	.	337.4	C18H15N3O2S	113	509	3.4	24	2	5	2	"InChI=1S/C18H15N3O2S/c19-15-12-9-11-13(7-4-8-14(11)22)21-18(12)24-16(15)17(23)20-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,19H2,(H,20,23)"	C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC=CC=C4)N)C(=O)C1	MCEWLOUNHWLKKQ-UHFFFAOYSA-N
DG61229	"Ferrate(1-), {[2-(pyridinylmethylene)hydrazinecarbothioamidato-N(N(2)),N(2),S]} {[sulfato(2-)-O]-,} hydrogen"	3337459	"NSC299130; Ferrate(1-), {[2-(pyridinylmethylene)hydrazinecarbothioamidato-N(N(2)),N(2),S]} {[sulfato(2-)-O]-,} hydrogen"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	299130	.	.	.	.	333.2	C7H9FeN4O4S2-	170	344	.	18	3	7	0	"InChI=1S/C7H8N4S.Fe.H2O4S/c8-7(12)11-10-5-6-3-1-2-4-9-6;;1-5(2,3)4/h1-5H,(H3,8,9,11,12);;(H2,1,2,3,4)/p-1"	C1=CC=NC(=C1)C=N[N-]C(=[SH+])N.OS(=O)(=O)[O-].[Fe]	SDOHCHCPWWSDES-UHFFFAOYSA-M
DG61230	3-[2-(2-Nitrophenyl)hydrazinyl]-4-(trifluoromethyl)indol-2-one	3347168	21303-38-8; NSC117196; CHEMBL1988858; DTXSID00419092; 3-[2-(2-nitrophenyl)hydrazinyl]-4-(trifluoromethyl)indol-2-one; ZINC17429760; NSC-117196; NCI60_000403	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117196	.	.	.	.	350.25	C15H9F3N4O3	107	525	4.5	25	2	8	2	"InChI=1S/C15H9F3N4O3/c16-15(17,18)8-4-3-6-10-12(8)13(14(23)19-10)21-20-9-5-1-2-7-11(9)22(24)25/h1-7,19,23H"	C1=CC=C(C(=C1)N=NC2=C(NC3=CC=CC(=C32)C(F)(F)F)O)[N+](=O)[O-]	VDAXEPVFTJDWTH-UHFFFAOYSA-N
DG61231	"Purine,6,8-tris(hexylamino)-"	3354028	"Purine,6,8-tris(hexylamino)-; NSC45828; ZINC4806113; NSC-45828"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45828	.	.	.	.	417.6	C23H43N7	90.6	409	8.1	30	4	6	18	"InChI=1S/C23H43N7/c1-4-7-10-13-16-24-20-19-21(29-22(27-19)25-17-14-11-8-5-2)30-23(28-20)26-18-15-12-9-6-3/h4-18H2,1-3H3,(H4,24,25,26,27,28,29,30)"	CCCCCCNC1=NC(=NC2=C1NC(=N2)NCCCCCC)NCCCCCC	DXKYFAHADZYZQP-UHFFFAOYSA-N
DG61232	2-Amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile	3355365	CHEMBL3410018; NSC735023; NSC-735023	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735023	.	.	.	.	274.32	C17H14N4	67.6	395	2.8	21	1	3	2	"InChI=1S/C17H14N4/c1-21-9-5-8-16(21)13-10-15(12-6-3-2-4-7-12)20-17(19)14(13)11-18/h2-10H,1H3,(H2,19,20)"	CN1C=CC=C1C2=CC(=NC(=C2C#N)N)C3=CC=CC=C3	MRICSKKXUHABEX-UHFFFAOYSA-N
DG61233	1-Phenyl-3-[6-(phenylcarbamoylamino)acridin-3-yl]urea	3363425	NSC804282; ZINC16489640; AKOS024380866; MCULE-9040253163; NSC-804282	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804282	.	.	.	.	447.5	C27H21N5O2	95.2	635	4.3	34	4	3	4	"InChI=1S/C27H21N5O2/c33-26(28-20-7-3-1-4-8-20)30-22-13-11-18-15-19-12-14-23(17-25(19)32-24(18)16-22)31-27(34)29-21-9-5-2-6-10-21/h1-17H,(H2,28,30,33)(H2,29,31,34)"	C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)C=C4C=CC(=CC4=N3)NC(=O)NC5=CC=CC=C5	UGIVUPZGMGMNLT-UHFFFAOYSA-N
DG61235	"3-(2,3-Dihydrobenzo[d]oxazol-2-yl)benzo thioamide"	3374653	"NSC298509; CHEMBL2003680; NSC-298509; 3-(2,3-dihydrobenzo[d]oxazol-2-yl)benzo thioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	298509	.	.	.	.	256.32	C14H12N2OS	79.4	323	2.8	18	2	3	2	"InChI=1S/C14H12N2OS/c15-13(18)9-4-3-5-10(8-9)14-16-11-6-1-2-7-12(11)17-14/h1-8,14,16H,(H2,15,18)"	C1=CC=C2C(=C1)NC(O2)C3=CC(=CC=C3)C(=S)N	YCZUHAHNEGNBMW-UHFFFAOYSA-N
DG61236	Thiamiprine	3379405	"THIAMIPRINE; 5581-52-2; Tiamiprine; Guaneran; Tiamiprin; Aminoazathioprin; Imidazolylthioguanine; 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purin-2-amine; NSC-38887; BW 57-323; NSC 38887; BW 57-323H; ITG; UNII-E2EV7ZDD1M; NSC38887; Purine, 2-amino-6-(1-methyl-4-nitro-5-imidazolylthio)-; 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purin-2-amine; E2EV7ZDD1M; 1H-Purin-2-amine, 6-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-; Azathioprine Related Compound G; 2-Amino-6-1'-methyl, 4'-nitro, 5'-imidazolyl mercaptopurine; BW 57323H; 2-Amino-6-((1-methyl-4-nitroimidazol-5-yl)thio)purine; 2-Amino-6-[(1-methyl-4-nitroimidazol-5-yl)thio]purine; Thiamiprin; Thiamiprine [USAN]; Thiamiprine (Guaneran); Tiamiprina; Tiamiprinum; 2-Amino-6-(1'-methyl-4'-nitro-5'-imidazolyl)mercaptopurine; 1H-Purin-2-amine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-; Tiamiprinum [INN-Latin]; Tiamiprina [INN-Spanish]; C9H8N8O2S; EINECS 226-977-5; BRN 1164867; 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-9H-purin-2-amine; tia-miprine; AI3-50289; Tiamiprine [INN]; 2-Amino-6-(1-methyl-4-nitro-5-imidazolyl)mercaptopurine; 1-Methyl-4-nitro-5-(2'-amino-6'-purinyl)mercaptoimidazide; Thiamiprine (USAN/INN); 1H-Purin-2-amine, 6-((1-methyl-4-nitro-1H-imidazol-5-yl)-thio)-; Azathioprine EP Impurity G; SCHEMBL4851; CHEMBL34722; DTXSID70204396; CHEBI:135218; Purine, 2-amino-6-[(1-methyl-4-nitroimidazol-5-yl)thio]-; 6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-9H-purin-2-amine; ZINC1670996; 8151AB; AKOS015963425; AC-19707; BW-57-323; FT-0675147; D06105; F20763; 2-Amino-6-1'-methyl, 5'-imidazolyl mercaptopurine; Q27276780; WLN: T56 BN DM FN HNJ GZ IS- DT5N CNJ C1 ENW; {2-Amino-6-[(1-methyl-4-nitroimidazol-5-yl)thio]purine}; 6-(1-methyl-4-nitro-1H-imidazol-5-ylthio)-7H-purin-2-amine; Purine, {2-amino-6-[(1-methyl-4-nitroimidazol-5-yl)thio]-}; 1H-Purin-2-amine, {6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-}; 2-Amino-6-((4-(hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)-9H-purine; Thiamiprine; Azathioprine USP RC G; Azathioprine BP Impurity G; 6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-7H-purin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38887	.	.	.	.	292.28	C9H8N8O2S	169	381	-0.2	20	2	8	2	"InChI=1S/C9H8N8O2S/c1-16-3-13-6(17(18)19)8(16)20-7-4-5(12-2-11-4)14-9(10)15-7/h2-3H,1H3,(H3,10,11,12,14,15)"	CN1C=NC(=C1SC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-]	YFTWHEBLORWGNI-UHFFFAOYSA-N
DG61237	7-[(4-Ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol	3384730	ML311; 315698-17-0; 7-[(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol; 7-[(4-Ethyl-1-piperazinyl)[4-(trifluoromethyl)phenyl]methyl]-8-quinolinol; ML 311; 7-{(4-ethylpiperazin-1-yl)[4-(trifluoromethyl)phenyl]methyl}quinolin-8-ol; 7-((4-ethylpiperazin-1-yl)(4-(trifluoromethyl)phenyl)methyl)quinolin-8-ol; SMR000559037; SR-01000804542; MLS001198484; MLS004257019; SCHEMBL9962883; CHEMBL1422849; HMS2858D15; BCP32653; EX-A4993; NSC765420; STL487150; AKOS000808726; AKOS016290193; MCULE-7112299386; NSC-765420; HY-101778; CS-0021886; SR-01000804542-2; SR-01000804542-3; ML-311; ML 311; EU-5346; EU 5346; EU5346; 7-[alpha-(4-Ethylpiperazino)-4-(trifluoromethyl)benzyl]quinoline-8-ol; 7-{(4-ethylpiperazino)[4-(trifluoromethyl)phenyl]methyl}-8-quinolinol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765420	.	.	.	.	415.5	C23H24F3N3O	39.6	544	4.4	30	1	7	4	"InChI=1S/C23H24F3N3O/c1-2-28-12-14-29(15-13-28)21(17-5-8-18(9-6-17)23(24,25)26)19-10-7-16-4-3-11-27-20(16)22(19)30/h3-11,21,30H,2,12-15H2,1H3"	CCN1CCN(CC1)C(C2=CC=C(C=C2)C(F)(F)F)C3=C(C4=C(C=CC=N4)C=C3)O	NGAPBLRRJSKIRT-UHFFFAOYSA-N
DG61238	2-Amino-6-(4-bromophenyl)-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile	3399462	NSC735024; NSC-735024	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735024	.	.	.	.	353.2	C17H13BrN4	67.6	426	3.5	22	1	3	2	"InChI=1S/C17H13BrN4/c1-22-8-2-3-16(22)13-9-15(21-17(20)14(13)10-19)11-4-6-12(18)7-5-11/h2-9H,1H3,(H2,20,21)"	CN1C=CC=C1C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)Br	DSJGADDAIYLJDD-UHFFFAOYSA-N
DG61239	"4,7-dimethyl-3-[(2-nitrophenyl)diazenyl]-1H-indol-2-ol"	3403987	NSC118732; 21231-35-6; NCIMech_000126; CHEMBL1988451; DTXSID90417688; CCG-35270; ZINC16916688; NSC-118732; NCI60_000445	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118732	.	.	.	.	310.31	C16H14N4O3	107	467	4.4	23	2	5	2	"InChI=1S/C16H14N4O3/c1-9-7-8-10(2)14-13(9)15(16(21)17-14)19-18-11-5-3-4-6-12(11)20(22)23/h3-8,17,21H,1-2H3"	CC1=C2C(=C(C=C1)C)NC(=C2N=NC3=CC=CC=C3[N+](=O)[O-])O	HWIOSUDFKMWKTI-UHFFFAOYSA-N
DG61240	"9H-Pyrido[3, N-(2,4-dinitrophenyl)-1-phenyl-"	3406978	"MLS002701771; NSC620319; CHEMBL1709613; ZINC5615727; NSC-620319; NCI60_006003; SMR001565365; 9H-Pyrido[3, N-(2,4-dinitrophenyl)- 1-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620319	.	.	.	.	425.4	C23H15N5O4	132	691	5.7	32	2	6	3	"InChI=1S/C23H15N5O4/c29-27(30)15-9-10-18(20(13-15)28(31)32)25-19-8-4-7-16-17-11-12-24-21(23(17)26-22(16)19)14-5-2-1-3-6-14/h1-13,25-26H"	C1=CC=C(C=C1)C2=NC=CC3=C2NC4=C3C=CC=C4NC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]	WYNMZEUJBBVCHQ-UHFFFAOYSA-N
DG61241	"3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	3418824	"CHEMBL3770145; NSC775446; MCULE-3470092916; NSC-775446; 3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; AM-807/13615929; N-(2-Fluorophenyl)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775446	.	.	.	.	369.5	C20H20FN3OS	96.2	521	5.4	26	2	5	3	"InChI=1S/C20H20FN3OS/c1-2-11-7-8-15-12(9-11)10-13-17(22)18(26-20(13)24-15)19(25)23-16-6-4-3-5-14(16)21/h3-6,10-11H,2,7-9,22H2,1H3,(H,23,25)"	CCC1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)NC4=CC=CC=C4F)N	INENRHICQOWBEB-UHFFFAOYSA-N
DG61242	"4-Nitro-3a,9b-dihydrobenzo[g][1]benzofuran-6,9-diol"	3424350	NSC704283; CHEMBL1983934; NSC-704283; NCI60_037224	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704283	.	.	.	.	247.2	C12H9NO5	95.5	427	1.5	18	2	5	0	"InChI=1S/C12H9NO5/c14-9-1-2-10(15)11-7(9)5-8(13(16)17)6-3-4-18-12(6)11/h1-6,12,14-15H"	C1=COC2C1C(=CC3=C(C=CC(=C23)O)O)[N+](=O)[O-]	LKSOGXZBRDWWSX-UHFFFAOYSA-N
DG61243	5-((Benzyloxy)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol	3426979	UC-112; 383392-66-3; UC 112; MLS002276469; 5-((benzyloxy)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol; SMR001318010; 5-[(Phenylmethoxy)methyl]-7-(1-pyrrolidinylmethyl)-8-quinolinol; 5-(phenylmethoxymethyl)-7-(1-pyrrolidinylmethyl)-8-quinolinol; SR-01000082650; 5-(phenylmethoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol; Oprea1_608159; CHEMBL1527537; SCHEMBL18472986; CHEBI:93299; HMS2221P16; 4138AH; CCG-20605; NSC782181; ZINC23212095; AKOS024458546; CS-4227; MCULE-2396055892; NSC-782181; NCGC00183371-01; HY-12842; B7790; EU-0045328; A912907; SR-01000082650-1; SR-01000082650-3; Q27165011; F0919-2432; 5-[(Benzyloxy)methyl]-7-(1-pyrrolidinylmethyl)-8-quinolinol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782181	.	.	.	.	348.4	C22H24N2O2	45.6	420	3.3	26	1	4	6	"InChI=1S/C22H24N2O2/c25-22-18(14-24-11-4-5-12-24)13-19(20-9-6-10-23-21(20)22)16-26-15-17-7-2-1-3-8-17/h1-3,6-10,13,25H,4-5,11-12,14-16H2"	C1CCN(C1)CC2=CC(=C3C=CC=NC3=C2O)COCC4=CC=CC=C4	LTGLGIQQZXSLLF-UHFFFAOYSA-N
DG61244	N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide	3436670	MLS003171039; NSC345296; CHEMBL1869216; NSC-345296; SMR001874949; 90504-22-6	.	.	Investigative Drug(s)	Investigative	Small molecular drug	345296	.	.	.	.	328.5	C18H24N4S	72.3	381	3.3	23	2	3	3	"InChI=1S/C18H24N4S/c1-14(16-11-10-15-8-4-5-9-17(15)19-16)20-21-18(23)22-12-6-2-3-7-13-22/h4-5,8-11,14,20H,2-3,6-7,12-13H2,1H3,(H,21,23)"	CC(C1=NC2=CC=CC=C2C=C1)NNC(=S)N3CCCCCC3	YINIEYCTRUUCMZ-UHFFFAOYSA-N
DG61245	"Dimethyl 5-[(4,5-dihydroxy-8-nitro-9,10-dioxoanthracen-1-yl)amino]benzene-1,3-dicarboxylate"	3438641	"25351-81-9; NSC127622; SCHEMBL5578384; DTXSID10392483; ZINC33562731; NSC-127622; dimethyl 5-[(4,5-dihydroxy-8-nitro-9,10-dioxoanthracen-1-yl)amino]benzene-1,3-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127622	.	.	.	.	492.4	C24H16N2O10	185	895	4.3	36	3	11	6	"InChI=1S/C24H16N2O10/c1-35-23(31)10-7-11(24(32)36-2)9-12(8-10)25-13-3-5-15(27)19-17(13)21(29)18-14(26(33)34)4-6-16(28)20(18)22(19)30/h3-9,25,27-28H,1-2H3"	COC(=O)C1=CC(=CC(=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)[N+](=O)[O-])O)C(=O)OC	DBBVPCPJQANEDU-UHFFFAOYSA-N
DG61246	"5-[3-Nitro-4-(2-aminoethylamino)phenyl]-6-ethylpyrimidine-2,4-diamine"	3449946	"CHEMBL84440; MLS002701873; NCI-372939; NSC372939; cid_3449946; BDBM50154449; ZINC26501194; NSC-372939; NCI60_003469; SMR001565463; 5-[3-Nitro-4-(2-aminoethylamino)phenyl]-6-ethylpyrimidine-2,4-diamine; 5-[4-(2-Amino-ethylamino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372939	.	.	.	.	317.35	C14H19N7O2	162	392	1.3	23	4	8	5	"InChI=1S/C14H19N7O2/c1-2-9-12(13(16)20-14(17)19-9)8-3-4-10(18-6-5-15)11(7-8)21(22)23/h3-4,7,18H,2,5-6,15H2,1H3,(H4,16,17,19,20)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCCN)[N+](=O)[O-]	XYSUDZRZSXTBRQ-UHFFFAOYSA-N
DG61247	NSC766765	3454585	"[3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl](2-chlorophenyl)methanone; GNF-Pf-2300; CHEMBL608855; MMV011436; NSC766765; STK007351; STK545905; AKOS003653684; AKOS005475343; MCULE-5399879335; NSC-766765; [3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl](2-chlorophenyl)methanone; 3-(4-tert-butylphenyl)-10-[(2-chlorophenyl)carbonyl]-11-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766765	.	.	.	.	579.1	C36H32ClFN2O2	49.4	1020	8.2	42	1	4	4	"InChI=1S/C36H32ClFN2O2/c1-36(2,3)25-16-12-22(13-17-25)24-20-30-33(32(41)21-24)34(23-14-18-26(38)19-15-23)40(31-11-7-6-10-29(31)39-30)35(42)27-8-4-5-9-28(27)37/h4-19,24,34,39H,20-21H2,1-3H3"	CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C5=CC=CC=C5Cl)C6=CC=C(C=C6)F)C(=O)C2	HIDBFCAYHFMHLE-UHFFFAOYSA-N
DG61248	"2,5-dichloro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide"	3463933	"FH535; 108409-83-2; 2,5-dichloro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide; beta-Catenin/Tcf Inhibitor, FH535; FH-535; N-(2-Methyl-4-nitrophenyl)-2,5-dichlorobenzenesulfonamide; FH 535; C13H10Cl2N2O4S; CHEMBL2363137; 2,5-dichloro-N-(2-methyl-4-nitrophenyl)-benzenesulfonamide; N-[2-methyl-4-nitrophenyl]-2,5-dichlorobenzenesulfonamide; CBMicro_011295; SCHEMBL15318105; AOB6671; DTXSID60392716; EX-A388; CHEBI:125569; HMS3653N07; BCP09634; SMSF0005619; ZINC4662683; BDBM50509999; MFCD01212888; NSC778746; s7484; STK079761; AKOS003980135; CB14399; CCG-208119; CS-1538; MCULE-8478896855; NSC-778746; SB19433; AC-31439; AS-60177; DA-33629; FH535, >=98% (HPLC); HY-15721; QC-11591; BIM-0011242.P001; A3413; FT-0672020; SW219729-1; Y1329; J3.583.203C; J-002138; BRD-K48112880-001-01-5; Q27216183; 2,5-dichloro-N-(2-methyl-4-nitrophenyl)benzene-1-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	778746	.	.	.	.	361.2	C13H10Cl2N2O4S	100	505	3.9	22	1	5	3	"InChI=1S/C13H10Cl2N2O4S/c1-8-6-10(17(18)19)3-5-12(8)16-22(20,21)13-7-9(14)2-4-11(13)15/h2-7,16H,1H3"	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	AXNUEXXEQGQWPA-UHFFFAOYSA-N
DG61249	"N-[1-(2-bromo-4,5-diethoxyphenyl)ethyl]-3-methoxybenzamide"	3491998	TCMDC-123742; CHEMBL536421; MMV665796; NSC766556; NSC-766556	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766556	.	.	.	.	422.3	C20H24BrNO4	56.8	436	4.4	26	1	4	8	"InChI=1S/C20H24BrNO4/c1-5-25-18-11-16(17(21)12-19(18)26-6-2)13(3)22-20(23)14-8-7-9-15(10-14)24-4/h7-13H,5-6H2,1-4H3,(H,22,23)"	CCOC1=C(C=C(C(=C1)C(C)NC(=O)C2=CC(=CC=C2)OC)Br)OCC	IPXGOPWZGKLOMJ-UHFFFAOYSA-N
DG61250	"N-[(4Z)-8-tert-butyl-1-(4-chlorophenyl)-2-(methylthio)-1,3-diazaspiro[4.5]dec-2-en-4-ylidene]-N-(2,6-dimethylphenyl)amine"	3499680	"GNF-Pf-366; ChemDiv1_019140; CHEMBL1615697; HMS641F22; MMV666596; NSC766440; ZINC20805799; NSC-766440; N-[(4Z)-8-tert-butyl-1-(4-chlorophenyl)-2-(methylthio)-1,3-diazaspiro[4.5]dec-2-en-4-ylidene]-N-(2,6-dimethylphenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766440	.	.	.	.	468.1	C27H34ClN3S	53.3	701	8.1	32	0	2	4	"InChI=1S/C27H34ClN3S/c1-18-8-7-9-19(2)23(18)29-24-27(16-14-20(15-17-27)26(3,4)5)31(25(30-24)32-6)22-12-10-21(28)11-13-22/h7-13,20H,14-17H2,1-6H3"	CC1=C(C(=CC=C1)C)N=C2C3(CCC(CC3)C(C)(C)C)N(C(=N2)SC)C4=CC=C(C=C4)Cl	VCVMLWDTGJJHIX-UHFFFAOYSA-N
DG61251	2-amino-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile	3505618	2-amino-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile; CHEMBL3315177; NSC737796; STK743189; AKOS001707365; MCULE-3499976589; NSC-737796; J3.560.898B; SR-01000518343; SR-01000518343-1; 2-amino-4-(2-methoxyphenyl)-3-cyano-7-hydroxy-4h-chromene; 2-amino-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonit rile; 2-Amino-4-(2-methoxyphenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737796	.	.	.	.	294.3	C17H14N2O3	88.5	495	2.9	22	2	5	2	"InChI=1S/C17H14N2O3/c1-21-14-5-3-2-4-11(14)16-12-7-6-10(20)8-15(12)22-17(19)13(16)9-18/h2-8,16,20H,19H2,1H3"	COC1=CC=CC=C1C2C3=C(C=C(C=C3)O)OC(=C2C#N)N	JSINZKYQKSXBQD-UHFFFAOYSA-N
DG61252	"N-(2-(Dimethylamino)ethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide"	3508054	"bmh-21; 896705-16-1; N-(2-(Dimethylamino)ethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide; BMH 21; N-[2-(dimethylamino)ethyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide; BMH21; CHEMBL3289398; N-[2-(DIMETHYLAMINO)ETHYL]-12-OXO-5,13-DIAZATETRACENE-4-CARBOXAMIDE; SCHEMBL13248367; DTXSID10393157; EX-A527; BCP13273; ZINC2957471; 2274AH; BDBM50019324; MFCD27225377; NSC751342; s7718; AKOS005021577; CCG-268163; CS-3557; NSC-751342; NCGC00386424-05; AC-33064; AS-55835; BMH-21, >=98% (HPLC); DA-40741; HY-12484; QC-11737; EU-0061988; FT-0700400; A14335; A861102; SR-01000143622; SR-01000143622-1; 12H-Benzo[g]pyrido[2, N-[2(dimethylamino)ethyl]-12-oxo; N-[2-(dimethylamino)ethyl]-12-oxo-12H-5,13-diazatetracene-4-carboxamide; N-[2-(dimethylamino)ethyl]-12-oxo-12h-benzo [g]pyrido [2,1-b]quinazoline-4-carboxamide; N-(2-(dimethylamino)ethyl)-12-oxo-11a,12-dihydro-5aH-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751342	.	.	.	.	360.4	C21H20N4O2	65	709	2.3	27	1	4	4	"InChI=1S/C21H20N4O2/c1-24(2)11-9-22-20(26)16-8-5-10-25-19(16)23-18-13-15-7-4-3-6-14(15)12-17(18)21(25)27/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,26)"	CN(C)CCNC(=O)C1=CC=CN2C1=NC3=CC4=CC=CC=C4C=C3C2=O	BXYDVWIAGDJBEC-UHFFFAOYSA-N
DG61253	"[5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-di(butanoyloxy)oxolan-2-yl]methyl butanoate"	3521514	"KC 1260; 7764-78-5; DTXSID90393276; NSC76955; NSC-76955; 9H-Purine-6(1H)-thione, 2',3',5'-tributyrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76955	.	.	.	.	509.6	C22H31N5O7S	188	841	1.5	35	2	9	14	"InChI=1S/C22H31N5O7S/c1-4-7-13(28)31-10-12-17(33-14(29)8-5-2)18(34-15(30)9-6-3)21(32-12)27-11-24-16-19(27)25-22(23)26-20(16)35/h11-12,17-18,21H,4-10H2,1-3H3,(H3,23,25,26,35)"	CCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=S)N)OC(=O)CCC)OC(=O)CCC	PBICKNLZVRHBCU-UHFFFAOYSA-N
DG61254	"5-(4-Methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine"	3538133	"5-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine; 5-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine; 351994-59-7; Oprea1_370280; Oprea1_379118; CHEMBL1255089; NSC790090; STK763860; AKOS000807871; AKOS016290354; MCULE-7444358927; NSC-790090; SR-01000587031; SR-01000587031-1; F1177-0076"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790090	.	.	.	.	394.4	C21H22N4O4	79.7	555	3.6	29	1	7	6	"InChI=1S/C21H22N4O4/c1-26-15-7-5-13(6-8-15)16-11-17(25-21(24-16)22-12-23-25)14-9-18(27-2)20(29-4)19(10-14)28-3/h5-12,17H,1-4H3,(H,22,23,24)"	COC1=CC=C(C=C1)C2=CC(N3C(=NC=N3)N2)C4=CC(=C(C(=C4)OC)OC)OC	JHGXNMUULUHVKO-UHFFFAOYSA-N
DG61255	"Cadmium(2+);methyl 3-[18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate"	3551195	NSC33202; NSC-33202	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33202	.	.	.	.	649	C32H32CdN4O4	79.3	1420	.	41	0	8	8	"InChI=1S/C32H32N4O4.Cd/c1-17-11-22-14-27-19(3)23(7-9-31(37)39-5)29(35-27)16-30-24(8-10-32(38)40-6)20(4)28(36-30)15-26-18(2)12-21(34-26)13-25(17)33-22;/h11-16H,7-10H2,1-6H3;/q-2;+2"	CC1=CC2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)OC)CCC(=O)OC)C)C=C3C.[Cd+2]	SUECBVCZZHRSHF-UHFFFAOYSA-N
DG61256	2-[3-[Cyano(phenyl)methyl]-4-hydroxy-6-iminoquinoxalin-2-yl]-2-phenylacetonitrile	3556767	NCI60_006190; CHEMBL2004823; NSC621191; NSC-621191	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621191	.	.	.	.	391.4	C24H17N5O	107	925	2.5	30	2	6	4	"InChI=1S/C24H17N5O/c25-14-19(16-7-3-1-4-8-16)23-24(20(15-26)17-9-5-2-6-10-17)29(30)22-13-18(27)11-12-21(22)28-23/h1-13,19-20,27,30H"	C1=CC=C(C=C1)C(C#N)C2=C(N(C3=CC(=N)C=CC3=N2)O)C(C#N)C4=CC=CC=C4	SUJPTDQYJVXQSS-UHFFFAOYSA-N
DG61257	"Benzoic acid, 3,5-dinitro-4-(1H-purin-6-ylthio)-, octyl ester"	3560228	"MLS002702950; NCI60_002120; CHEMBL1715463; NSC264497; ZINC66124398; NSC-264497; SMR001566764; Benzoic acid,5-dinitro-4-(1H-purin-6-ylthio)-, octyl ester; Benzoic acid, 3,5-dinitro-4-(1H-purin-6-ylthio)-, octyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	264497	.	.	.	.	474.5	C20H22N6O6S	198	652	5.4	33	1	10	11	"InChI=1S/C20H22N6O6S/c1-2-3-4-5-6-7-8-32-20(27)13-9-14(25(28)29)17(15(10-13)26(30)31)33-19-16-18(22-11-21-16)23-12-24-19/h9-12H,2-8H2,1H3,(H,21,22,23,24)"	CCCCCCCCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]	JWTQVITYOODVFM-UHFFFAOYSA-N
DG61258	4-[2-(4-hydroxy-3-methoxy-phenyl)-4-nitro-5-[(E)-phenyliminomethyl]-3-furyl]-2-methoxy-phenol	3580140	"NSC657727; CHEMBL1999662; ZINC17221951; ZINC104301317; NSC-657727; NCI60_020093; Phenol, 4,4'-[4-nitro-5-[(E)-(phenylimino)methyl]-2,3-furandiyl]bis[2-methoxy-; 4-[2-(4-hydroxy-3-methoxy-phenyl)-4-nitro-5-[(E)-phenyliminomethyl]-3-furyl]-2-methoxy-phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657727	.	.	.	.	460.4	C25H20N2O7	130	695	5	34	2	8	6	"InChI=1S/C25H20N2O7/c1-32-20-12-15(8-10-18(20)28)23-24(27(30)31)22(14-26-17-6-4-3-5-7-17)34-25(23)16-9-11-19(29)21(13-16)33-2/h3-14,28-29H,1-2H3"	COC1=C(C=CC(=C1)C2=C(OC(=C2[N+](=O)[O-])C=NC3=CC=CC=C3)C4=CC(=C(C=C4)O)OC)O	RTEJNTMHKKJOBQ-UHFFFAOYSA-N
DG61259	1-(4-Methoxy-6-nitroacridin-9-yl)-2-phenylhydrazine	3600666	NSC689867; CHEMBL2002235; NSC-689867; NCI60_032318; 1-(4-Methoxy-6-nitroacridin-9-yl)-2-phenylhydrazine; 1-(5-methoxy-3-nitro-acridin-9-yl)-2-phenyl-hydrazine; 3-(Hydroxy(oxido)amino)-5-methoxy-9-(2-phenylhydrazino)acridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689867	.	.	.	.	360.4	C20H16N4O3	92	508	5.2	27	2	6	4	"InChI=1S/C20H16N4O3/c1-27-18-9-5-8-16-19(23-22-13-6-3-2-4-7-13)15-11-10-14(24(25)26)12-17(15)21-20(16)18/h2-12,22H,1H3,(H,21,23)"	COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NNC4=CC=CC=C4)[N+](=O)[O-]	BEQAYMHXRFQWNN-UHFFFAOYSA-N
DG61260	3-amino-10H-acridine-9-thione	3620127	"3-amino-10H-acridine-9-thione; 129821-08-5; CHEMBL2001835; 9(10H)-Acridinethione, 3-amino-; 3-ATA compound; 3-aminothioacridone; NSC680434; 3-ATA; SCHEMBL6689351; 3-Amino-9(10H)-thioacridone; DTXSID60394371; 3-Amino-9-thio-(10H)-acridone; BDBM50447513; NSC 680434; NSC-680434; NCI60_028681; J-005719"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680434	.	.	.	.	226.3	C13H10N2S	70.1	292	2.9	16	2	3	0	"InChI=1S/C13H10N2S/c14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13(10)16/h1-7H,14H2,(H,15,16)"	C1=CC=C2C(=C1)C(=S)C3=C(N2)C=C(C=C3)N	LHMSGVQQFOFVAP-UHFFFAOYSA-N
DG61261	5-Methyl-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one	3632950	"NSC117915; 21303-42-4; 5-methyl-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one; MLS002701972; 5-methyl-3-[(2-nitrophenyl)diazenyl]-1H-indol-2-ol; NCIMech_000565; CHEMBL1878157; CHEMBL1986279; DTXSID30417687; 5-methyl-1H-indole-2,3-dione 3-({2-nitrophenyl}hydrazone); CCG-35503; AKOS001022217; AKOS034450696; ZINC101116232; MCULE-9410869703; NSC-117915; NCI60_000426; SMR001565550; AG-690/33078003; Indole-2, 5-methyl-, 3-[(o-nitrophenyl)hydrazone]; Z56754243; 5-METHYL-3-((2-NITRO-PHENYL)-HYDRAZONO)-1,3-DIHYDRO-INDOL-2-ONE; 5-methyl-3-[2-(2-nitrophenyl)hydrazin-1-ylidene]-2,3-dihydro-1H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117915	.	.	.	.	296.28	C15H12N4O3	107	439	4	22	2	5	2	"InChI=1S/C15H12N4O3/c1-9-6-7-11-10(8-9)14(15(20)16-11)18-17-12-4-2-3-5-13(12)19(21)22/h2-8,16,20H,1H3"	CC1=CC2=C(C=C1)NC(=C2N=NC3=CC=CC=C3[N+](=O)[O-])O	BMIMIWYZSBQQJU-UHFFFAOYSA-N
DG61262	"3-amino-6-ethyl-N-(3-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	3643905	"3-amino-6-ethyl-N-(3-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; 445269-13-6; 3-amino-6-ethyl-N-(3-fluorophenyl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide; CHEMBL1604279; HMS1801O18; NSC775444; STK999909; AKOS001669407; MCULE-6505016890; NSC-775444; SS-0617; NCGC00100480-01; CS-0332193; EU-0081134; AM-807/13615930; N-(3-Fluorophenyl)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775444	.	.	.	.	369.5	C20H20FN3OS	96.2	521	5.4	26	2	5	3	"InChI=1S/C20H20FN3OS/c1-2-11-6-7-16-12(8-11)9-15-17(22)18(26-20(15)24-16)19(25)23-14-5-3-4-13(21)10-14/h3-5,9-11H,2,6-8,22H2,1H3,(H,23,25)"	CCC1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)NC4=CC(=CC=C4)F)N	LHGDXCUEBWDEAR-UHFFFAOYSA-N
DG61263	"3-[3-Tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid"	3651377	"MK-886; 118414-82-7; MK 886; MK886; 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid; 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid; L 663536; UNII-080626SQ8C; L-663,536; CHEMBL29097; CHEBI:75390; 080626SQ8C; 3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid; 1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-Alpha,Alpha-dimethyl-5-(1-methylethyl)- [CAS]; 3-[3-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid; MK-886 (L-663,536); L-663536; 3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid; 3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-isopropyl-1H-indol-2-yl]-2,2-dimethyl-propionic acid; SMR000466278; SR-01000076049; NCGC00025106-01; Tocris-1311; Curator_000017; 3-(1-(4-Chlorobenzyl)-3-t-butylthio-5-isopropylindol-2-yl)-2,2-dimethylpropanoic acid; Lopac0_000774; MLS000758280; MLS001424151; SCHEMBL503001; GTPL2655; DTXSID5041067; cid_3651377; EX-A127; HMS2051N18; HMS3393N18; HMS3742O07; BCP06501; ZINC1536875; BDBM50006805; MFCD00876710; NSC736463; s8236; AKOS022178156; CCG-101053; CS-5755; NC00303; NSC-736463; SB19084; SDCCGSBI-0050752.P002; NCGC00025106-02; 1-((4-Chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha,alpha-dimethyl-5-(1-methylethyl)-1H-indole-2-propanoic acid; AC-31484; AM808017; AS-74991; DA-47545; HY-14166; B6684; FT-0628956; A893175; SR-01000076049-3; Q27086912; 3-[1-(4-chlorobenzyl)-3-t-butyl-thio-5-isopropylindol-2-yl]-2,2-dimethylpropanoic acid; 1-(p Chlorobenzyl)-3-(t-butylthio)-alpha,alpha-dimethyl-5-(i-propyl)-indole-2-propanoic acid; 1-(p-Chlorobenzyl)-3-(t-butylthio)-alpha,alpha-dimethyl -5-(i-propyl)-indole-2-propanoic acid; 1-[(4-Chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]- a,a-dimethyl-5-(1-methylethyl)-1H-Indole-2-propanoic acid; 1-[(4-Chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-.alpha.,.alpha.- dimethyl-5-(1-methylethyl)-1H-indole-2-propanoic acid; 1-[(4-Chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]- , -dimethyl-5-(1-methylethyl)-1H-Indole-2-propanoic acid; 1H-Indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha,alpha-dimethyl-5-(1-methylethyl)-; 1H-Indole-2-propanoic acid,1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-a,a-dimethyl-5-(1-methylethyl)-; 3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid; 3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-isopropyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid; 3-[3-tert-butylsulfanyl-1-(4-chloro-benzyl)-5-isopropyl-1H-indoi-2-yl]-2,2-dimethyl-propionic acid; QY7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736463	.	.	.	.	472.1	C27H34ClNO2S	67.5	638	7.6	32	1	3	8	"InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)"	CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CC3=CC=C(C=C3)Cl	QAOAOVKBIIKRNL-UHFFFAOYSA-N
DG61264	"1,3-Bis(4-bromophenyl)thiourea"	3652630	"2059-75-8; 1,3-bis(4-bromophenyl)thiourea; NSC28608; SCHEMBL5455602; DTXSID90394682; N,N'-Bis(4-bromophenyl)thiourea; ZINC641746; 1,3-bis(4-bromophenyl)-2-thiourea; NSC-28608; AKOS002271756; MCULE-4896912527"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	28608	.	.	.	.	386.11	C13H10Br2N2S	56.2	246	3.6	18	2	1	2	"InChI=1S/C13H10Br2N2S/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)"	C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)Br)Br	RQVXFYAPGIMASB-UHFFFAOYSA-N
DG61265	"2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-thioxo-4H-1,2,4-triazin-5-one"	3664418	"NSC146268; 6-Aza-2-thiouridine; 1191421-14-3; 2-(3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one; NSC 146268; CHEMBL1987792; DTXSID20949846; BCP31699; AKOS024282514; MCULE-4881843758; NSC-146268; 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-thioxo-4H-1,2,4-triazin-5-one; NCI60_000992; DB-047161; FT-0638671; 5-Hydroxy-2-pentofuranosyl-1,2,4-triazine-3(2H)-thione; as-Triazine-3,4H)-dione, 2-.beta.-D-ribofuranosyl-3-thio-; as-Triazine-3,5(2H,4H)-dione, 2-.beta.-D-ribofuranosyl-3-thio-; 1,2,4-Triazin-5(2H)-one, 3,4-dihydro-2-.beta.-D-ribofuranosyl-3-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	146268	.	.	.	.	261.26	C8H11N3O5S	147	376	-1.5	17	4	7	2	"InChI=1S/C8H11N3O5S/c12-2-3-5(14)6(15)7(16-3)11-8(17)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,17)"	C1=NN(C(=S)NC1=O)C2C(C(C(O2)CO)O)O	TVCBDTCUOVDLNZ-UHFFFAOYSA-N
DG61266	"7H-Pyrrolo[2, 4-amino-7-beta-D-ribofuranosyl-, 3-oxide"	3691874	"CHEMBL2004598; NSC116280; NSC-116280; 7H-Pyrrolo[2, 4-amino-7-.beta.-D-ribofuranosyl-, 3-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116280	.	.	.	.	325.28	C12H15N5O6	178	544	-3.2	23	6	8	3	"InChI=1S/C12H15N5O6/c13-9-6-4(10(14)21)1-16(11(6)15-3-17(9)22)12-8(20)7(19)5(2-18)23-12/h1,3,5,7-8,12-13,18-20,22H,2H2,(H2,14,21)"	C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)N=CN(C2=N)O)C(=O)N	KSUJYFMVMRJYAU-UHFFFAOYSA-N
DG61267	7-Methyl-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one	3693487	"21303-46-8; NSC117917; 7-methyl-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one; CHEMBL1997214; DTXSID40419096; ZINC17430748; NSC-117917; NCI60_000427; Indole-2, 7-methyl-, 3-[(o-nitrophenyl)hydrazone]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117917	.	.	.	.	296.28	C15H12N4O3	107	439	4	22	2	5	2	"InChI=1S/C15H12N4O3/c1-9-5-4-6-10-13(9)16-15(20)14(10)18-17-11-7-2-3-8-12(11)19(21)22/h2-8,16,20H,1H3"	CC1=C2C(=CC=C1)C(=C(N2)O)N=NC3=CC=CC=C3[N+](=O)[O-]	FAQZWVGKJYEPQA-UHFFFAOYSA-N
DG61268	3-nitro-N-[2-[2-[(3-nitroacridin-9-yl)amino]phenyl]phenyl]acridin-9-amine	3694250	"NSC645158; CHEMBL1966707; 3-nitro-N-[2-[2-[(3-nitroacridin-9-yl)amino]phenyl]phenyl]acridin-9-amine; NSC-645158; NCI60_015364; 3-(Hydroxy(oxido)amino)-9-((2'-((3-(hydroxy(oxido)amino)-9-acridinyl)amino)[1,1'-biphenyl]-2-yl)amino)acridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645158	.	.	.	.	628.6	C38H24N6O4	142	1050	9.5	48	2	8	5	"InChI=1S/C38H24N6O4/c45-43(46)23-17-19-29-35(21-23)39-33-15-7-3-11-27(33)37(29)41-31-13-5-1-9-25(31)26-10-2-6-14-32(26)42-38-28-12-4-8-16-34(28)40-36-22-24(44(47)48)18-20-30(36)38/h1-22H,(H,39,41)(H,40,42)"	C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NC4=CC=CC=C4C5=CC=CC=C5NC6=C7C=CC(=CC7=NC8=CC=CC=C86)[N+](=O)[O-]	ISSSEOSGVUQSEM-UHFFFAOYSA-N
DG61269	"N-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroacridin-9-yl)-6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxamide"	3699385	NSC671853; CHEMBL1986732; NSC-671853; NCI60_025404	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671853	.	.	.	.	376.5	C19H28N4O2S	114	640	2.3	26	4	4	2	"InChI=1S/C19H28N4O2S/c1-10-15(18(26)23-19(25)20-10)17(24)22-16-11-6-2-4-8-13(11)21-14-9-5-3-7-12(14)16/h11-14,16,21H,2-9H2,1H3,(H,22,24)(H2,20,23,25,26)"	CC1=C(C(=S)NC(=O)N1)C(=O)NC2C3CCCCC3NC4C2CCCC4	ABTZKNNKLUKWHH-UHFFFAOYSA-N
DG61270	4-(Hydroxyamino)-5-nitro-2-phenyl-pyridazin-3-one	3699706	NSC641822; CHEMBL1975080; ZINC5809897; NSC-641822; NCI60_014132; 4-(hydroxyamino)-5-nitro-2-phenyl-pyridazin-3-one; 4-(Hydroxyamino)-5-(hydroxy(oxido)amino)-2-phenyl-3(2H)-pyridazinone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641822	.	.	.	.	248.19	C10H8N4O4	111	420	1.9	18	2	6	2	"InChI=1S/C10H8N4O4/c15-10-9(12-16)8(14(17)18)6-11-13(10)7-4-2-1-3-5-7/h1-6,12,16H"	C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)[N+](=O)[O-])NO	IJAOQXZBRMUTBZ-UHFFFAOYSA-N
DG61271	"1,12-Dipropyl-2,6,7,11-tetramethoxy-4,9-dihydroxyperylene-3,10-dione"	3701764	"NCI60_033496; CHEMBL2006252; NSC693561; NSC-693561; 1,12-Dipropyl-2,6,7,11-tetramethoxy-4,9-dihydroxyperylene-3,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693561	.	.	.	.	518.6	C30H30O8	112	911	6.8	38	2	8	8	"InChI=1S/C30H30O8/c1-7-9-13-19-20-14(10-8-2)30(38-6)28(34)22-16(32)12-18(36-4)24(26(20)22)23-17(35-3)11-15(31)21(25(19)23)27(33)29(13)37-5/h11-12,33-34H,7-10H2,1-6H3"	CCCC1=C2C3=C(C(=C(C4=C3C(=C5C2=C(C(=O)C=C5OC)C(=C1OC)O)C(=CC4=O)OC)O)OC)CCC	ZLOIRWUYTFCIAW-UHFFFAOYSA-N
DG61272	"4,6-Diphenyl-1,3,5-thiadiazinane-2-thione"	3701777	"NSC150554; 4,6-diphenyl-1,3,5-thiadiazinane-2-thione; 53983-18-9; NSC-150554; SCHEMBL1520218; CHEMBL1982228; DTXSID00395246; AKOS024333832; MCULE-1081133665; NCI60_001053"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150554	.	.	.	.	286.4	C15H14N2S2	81.4	309	3.7	19	2	3	2	"InChI=1S/C15H14N2S2/c18-15-17-13(11-7-3-1-4-8-11)16-14(19-15)12-9-5-2-6-10-12/h1-10,13-14,16H,(H,17,18)"	C1=CC=C(C=C1)C2NC(SC(=S)N2)C3=CC=CC=C3	PPCOHTPXMURTDH-UHFFFAOYSA-N
DG61273	1-[(4-Methylphenyl)sulfonylamino]-3-(4-nitrophenyl)urea	3704318	NSC674494; CHEMBL1995351; NSC-674494; NCI60_026382	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674494	.	.	.	.	350.35	C14H14N4O5S	142	541	2	24	3	6	4	"InChI=1S/C14H14N4O5S/c1-10-2-8-13(9-3-10)24(22,23)17-16-14(19)15-11-4-6-12(7-5-11)18(20)21/h2-9,17H,1H3,(H2,15,16,19)"	CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]	GCAZMHZSAPISKY-UHFFFAOYSA-N
DG61274	1-(4-nitrophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea	3705169	"NSC670960; SCHEMBL469874; CHEMBL1915697; NSC-670960; NCI60_024997; 1-(4-nitrophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea; 1H-Indole-2,3-dione 3-(N-(4-(hydroxy(oxido)amino)phenyl)thiosemicarbazone)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670960	.	.	.	.	341.3	C15H11N5O3S	151	504	3.8	24	3	5	2	"InChI=1S/C15H11N5O3S/c21-14-13(11-3-1-2-4-12(11)17-14)18-19-15(24)16-9-5-7-10(8-6-9)20(22)23/h1-8,17,21H,(H,16,24)"	C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]	MHYVZUBLPVZWEL-UHFFFAOYSA-N
DG61275	"1-Amino-8-methoxybenzo[f]quinazoline-7,10-dione"	3711067	"NSC622190; MLS002701780; 108599-32-2; SMR001565374; 1-amino-8-methoxybenzo[f]quinazoline-7,10-dione; NCIMech_000051; Neuro_000250; CHEMBL1728280; BDBM80754; cid_3711067; DTXSID00395367; ZINC1616703; CCG-35225; NSC-622190; NCI60_006462; 1-amino-8-methoxy-benzo[f]quinazoline-7,10-quinone; 1-azanyl-8-methoxy-benzo[f]quinazoline-7,10-dione; Benzo[f]quinazoline-7, 1-amino-7,10-dihydro-8-methoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622190	.	.	.	.	255.23	C13H9N3O3	95.2	448	0.9	19	1	6	1	"InChI=1S/C13H9N3O3/c1-19-9-4-8(17)10-6(12(9)18)2-3-7-11(10)13(14)16-5-15-7/h2-5H,1H3,(H2,14,15,16)"	COC1=CC(=O)C2=C(C1=O)C=CC3=C2C(=NC=N3)N	DIQVRTKHSPGCNE-UHFFFAOYSA-N
DG61276	1-[(Z)-(5-nitro-2-oxo-indolin-3-ylidene)amino]-3-phenyl-thiourea	3715893	"NSC-716766; NSC716766; SCHEMBL469856; CHEMBL376584; STK423577; ZINC15773575; AKOS002078260; MCULE-5817329657; NCI60_040342; 1-(5-nitro-2-oxoindolin-3-ylidene)-4-phenylthiosemicarbazide; (3E)-5-nitro-1H-indole-2,3-dione 3-(N-phenylthiosemicarbazone); 1-[(Z)-(5-nitro-2-oxo-indolin-3-ylidene)amino]-3-phenyl-thiourea; (2E)-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-phenylhydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716766	.	.	.	.	341.3	C15H11N5O3S	151	506	3.8	24	3	5	2	"InChI=1S/C15H11N5O3S/c21-14-13(11-8-10(20(22)23)6-7-12(11)17-14)18-19-15(24)16-9-4-2-1-3-5-9/h1-8,17,21H,(H,16,24)"	C1=CC=C(C=C1)NC(=S)N=NC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O	JKPODAQUJVLRFT-UHFFFAOYSA-N
DG61277	5-Bromo-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one	3718835	"21303-39-9; NSC117194; 5-bromo-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one; CHEMBL1967411; DTXSID80419090; 5-Bromo-3-[(2-nitro-phenyl)-hydrazono]-1,3-dihydro-indol-2-one; ZINC15773589; AKOS000534416; AKOS034406195; MCULE-8999164570; NSC-117194; NCI60_000402; UPCMLD0ENAT0500-5550:001; Z49571350; 5-bromo-3-[2-(2-nitrophenyl)hydrazin-1-ylidene]-2,3-dihydro-1H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117194	.	.	.	.	361.15	C14H9BrN4O3	107	444	4.3	22	2	5	2	"InChI=1S/C14H9BrN4O3/c15-8-5-6-10-9(7-8)13(14(20)16-10)18-17-11-3-1-2-4-12(11)19(21)22/h1-7,16,20H"	C1=CC=C(C(=C1)N=NC2=C(NC3=C2C=C(C=C3)Br)O)[N+](=O)[O-]	NWANKNAIZXGDQI-UHFFFAOYSA-N
DG61278	"5,7-Dichloro-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one"	3724036	"21231-34-5; NSC117187; CHEMBL1996468; 5,7-dichloro-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one; DTXSID30419085; ZINC17429736; NSC-117187; NCI60_000398; Indole-2, 5,7-dichloro-, 3-[(o-nitrophenyl) hydrazone]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117187	.	.	.	.	351.1	C14H8Cl2N4O3	107	475	4.9	23	2	5	2	"InChI=1S/C14H8Cl2N4O3/c15-7-5-8-12(9(16)6-7)17-14(21)13(8)19-18-10-3-1-2-4-11(10)20(22)23/h1-6,17,21H"	C1=CC=C(C(=C1)N=NC2=C(NC3=C2C=C(C=C3Cl)Cl)O)[N+](=O)[O-]	MGGOGLZHYDRDOA-UHFFFAOYSA-N
DG61279	"5'-phenyl-2',4'-dihydrospiro[indole-3,3'-pyrazol]-2(1H)-one"	3728239	"NSC767491; STK603460; AKOS005539907; MCULE-8287815579; NSC-767491; 5'-phenyl-2',4'-dihydrospiro[indole-3,3'-pyrazol]-2(1H)-one; 5'-phenyl-2',4'-dihydrospiro[3h-indole-3,3'-[3h]-pyrazol]-2(1h)-one; 60071-69-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767491	.	.	.	.	263.29	C16H13N3O	53.5	441	2.3	20	2	3	1	"InChI=1S/C16H13N3O/c20-15-16(12-8-4-5-9-13(12)17-15)10-14(18-19-16)11-6-2-1-3-7-11/h1-9,19H,10H2,(H,17,20)"	C1C(=NNC12C3=CC=CC=C3NC2=O)C4=CC=CC=C4	SIJIIIOIMOOJHY-UHFFFAOYSA-N
DG61280	"(5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone"	3732101	"(5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone; 383894-39-1; ChemDiv1_008548; [5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl](3,4,5-trimethoxyphenyl)methanone; SCHEMBL3310647; HMS611E12; NSC746064; STK842057; AKOS001638306; MCULE-3505783024; NSC-746064; SR-01000474268; SR-01000474268-1; F0877-0081; 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746064	.	.	.	.	511	C27H27ClN2O6	78.8	747	4.8	36	0	7	8	"InChI=1S/C27H27ClN2O6/c1-32-22-11-8-17(12-23(22)33-2)20-15-21(16-6-9-19(28)10-7-16)30(29-20)27(31)18-13-24(34-3)26(36-5)25(14-18)35-4/h6-14,21H,15H2,1-5H3"	COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC	ZXJUNQDJGPVLKM-UHFFFAOYSA-N
DG61281	1-(2-Methoxy-6-nitroacridin-9-yl)-2-phenylhydrazine	3734221	"NSC689872; NCIMech_000753; 1-(2-methoxy-6-nitroacridin-9-yl)-2-phenylhydrazine; CHEMBL1993245; CCG-35838; NSC-689872; NCI60_032323; Acridine, 2-methoxy-6-nitro-9-(2-phenylhydrazino)-; 1-(2-methoxy-6-nitro-acridin-9-yl)-2-phenyl-hydrazine; 6-(Hydroxy(oxido)amino)-2-methoxy-9-(2-phenylhydrazino)acridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689872	.	.	.	.	360.4	C20H16N4O3	92	508	5.2	27	2	6	4	"InChI=1S/C20H16N4O3/c1-27-15-8-10-18-17(12-15)20(23-22-13-5-3-2-4-6-13)16-9-7-14(24(25)26)11-19(16)21-18/h2-12,22H,1H3,(H,21,23)"	COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NNC4=CC=CC=C4	WGFIQRJRSMXFIZ-UHFFFAOYSA-N
DG61282	3-[2-(2-Nitrophenyl)hydrazinyl]indol-2-one	3734796	"20096-35-9; 3-[(2-nitrophenyl)hydrazono]-1,3-dihydro-2H-indol-2-one; 3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one; NSC111581; CHEMBL498650; SCHEMBL9661852; DTXSID50419042; isatin 3-(o-nitrophenylhydrazone); BDBM152148; ZINC5093001; AKOS001046101; AKOS030656653; MCULE-4574516522; NSC-111581; Indole-2, 3-[(o-nitrophenyl)hydrazone]; NCI60_000259; DS-002930; 1H-Indole-2, 3-[(2-nitrophenyl)hydrazone]; US8987474, HL1-047; 1H-Indole-2,3-dione, 3-[(2-nitrophenyl)hydrazone]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111581	.	.	.	.	282.25	C14H10N4O3	107	412	3.6	21	2	5	2	"InChI=1S/C14H10N4O3/c19-14-13(9-5-1-2-6-10(9)15-14)17-16-11-7-3-4-8-12(11)18(20)21/h1-8,15,19H"	C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=CC=CC=C3[N+](=O)[O-]	OTGYLXGBYVPFPM-UHFFFAOYSA-N
DG61283	1-(4-Methoxy-6-nitroacridin-9-yl)-2-(4-chlorophenyl)hydrazine	3743024	NSC689868; CHEMBL2004315; NSC-689868; NCI60_032319; 1-(4-chlorophenyl)-2-(5-methoxy-3-nitro-acridin-9-yl)hydrazine; 1-(4-Methoxy-6-nitroacridin-9-yl)-2-(4-chlorophenyl)hydrazine; 9-(2-(4-Chlorophenyl)hydrazino)-3-(hydroxy(oxido)amino)-5-methoxyacridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689868	.	.	.	.	394.8	C20H15ClN4O3	92	540	5.8	28	2	6	4	"InChI=1S/C20H15ClN4O3/c1-28-18-4-2-3-16-19(24-23-13-7-5-12(21)6-8-13)15-10-9-14(25(26)27)11-17(15)22-20(16)18/h2-11,23H,1H3,(H,22,24)"	COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NNC4=CC=C(C=C4)Cl)[N+](=O)[O-]	NNDWHCOQABQZKZ-UHFFFAOYSA-N
DG61284	"3,3'-(4-Methoxybenzylidene)bis(5-bromo-1H-indole)"	3745174	"NCI60_028559; CHEMBL1983199; NSC679835; NSC-679835; 3,3'-(4-Methoxybenzylidene)bis(5-bromo-1H-indole); 3,3'-[(4-methoxyphenyl) methylene]-bis-(5-bromo-1h-indole)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679835	.	.	.	.	510.2	C24H18Br2N2O	40.8	519	6.9	29	2	1	4	"InChI=1S/C24H18Br2N2O/c1-29-17-6-2-14(3-7-17)24(20-12-27-22-8-4-15(25)10-18(20)22)21-13-28-23-9-5-16(26)11-19(21)23/h2-13,24,27-28H,1H3"	COC1=CC=C(C=C1)C(C2=CNC3=C2C=C(C=C3)Br)C4=CNC5=C4C=C(C=C5)Br	YIXZXOAVQZOEAS-UHFFFAOYSA-N
DG61285	Nogarene	3751252	"Nogarene; 71582-54-2; NCI60_002189; CHEMBL1993089; NOGARENE, U-52048; DTXSID20395920; NSC269149; NSC-269149"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269149	.	.	.	.	491.5	C27H25NO8	137	927	2.7	36	4	9	1	"InChI=1S/C27H25NO8/c1-10-5-6-12-11(7-10)8-13-16(20(12)30)22(32)17-15(29)9-14-24(18(17)21(13)31)35-26-23(33)19(28(3)4)25(34)27(14,2)36-26/h5-9,19,23,25-26,29-30,33-34H,1-4H3"	CC1=CC2=CC3=C(C(=C2C=C1)O)C(=O)C4=C(C=C5C(=C4C3=O)OC6C(C(C(C5(O6)C)O)N(C)C)O)O	HQNMNCHWQYMBPJ-UHFFFAOYSA-N
DG61286	7-Chloro-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one	3755584	21303-45-7; NSC117188; 7-chloro-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one; CHEMBL1975664; DTXSID90419086; ZINC17429740; NSC-117188; NCI60_000399	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117188	.	.	.	.	316.7	C14H9ClN4O3	107	444	4.3	22	2	5	2	"InChI=1S/C14H9ClN4O3/c15-9-5-3-4-8-12(9)16-14(20)13(8)18-17-10-6-1-2-7-11(10)19(21)22/h1-7,16,20H"	C1=CC=C(C(=C1)N=NC2=C(NC3=C2C=CC=C3Cl)O)[N+](=O)[O-]	CXQRWEIMEOMBCI-UHFFFAOYSA-N
DG61287	1-[(4-Methylphenyl)sulfonylamino]-3-naphthalen-1-ylthiourea	3755655	NSC668911; CHEMBL1992738; NSC-668911; NCI60_024038	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668911	.	.	.	.	371.5	C18H17N3O2S2	111	553	4	25	3	4	4	"InChI=1S/C18H17N3O2S2/c1-13-9-11-15(12-10-13)25(22,23)21-20-18(24)19-17-8-4-6-14-5-2-3-7-16(14)17/h2-12,21H,1H3,(H2,19,20,24)"	CC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=CC=CC3=CC=CC=C32	WCUOSCDSCTYESZ-UHFFFAOYSA-N
DG61288	2-Thioxo-5-benzyl-5-methylimidazolidine-4-one	3765805	NSC619830; CHEMBL1987324; SCHEMBL21379715; AKOS021317330; NSC-619830; NCI60_005817; 2-Thioxo-5-benzyl-5-methylimidazolidine-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619830	.	.	.	.	220.29	C11H12N2OS	73.2	286	1.7	15	2	2	2	"InChI=1S/C11H12N2OS/c1-11(9(14)12-10(15)13-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,14,15)"	CC1(C(=O)NC(=S)N1)CC2=CC=CC=C2	VUGNAMMGEFVNMZ-UHFFFAOYSA-N
DG61289	"5-Amino-2-(4-nitroanilino)-1,3-thiazole-4-carbonitrile"	3769282	"5-amino-2-(4-nitroanilino)-1,3-thiazole-4-carbonitrile; NSC638200; 134312-09-7; 5-amino-2-[(4-nitrophenyl)amino]-1,3-thiazole-4-carbonitrile; CHEMBL1995268; ZINC4053622; AKOS005100201; MCULE-3420407379; NSC-638200; NCI60_012712; 8F-900; 5-amino-2-(4-nitroanilino)thiazole-4-carbonitrile; 5-Amino-2-[4-nitrophenylamino]thiazole-4-carbonitrile; 5-Amino-2-(4-(hydroxy(oxido)amino)anilino)-1,3-thiazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638200	.	.	.	.	261.26	C10H7N5O2S	149	357	2.9	18	2	7	2	"InChI=1S/C10H7N5O2S/c11-5-8-9(12)18-10(14-8)13-6-1-3-7(4-2-6)15(16)17/h1-4H,12H2,(H,13,14)"	C1=CC(=CC=C1NC2=NC(=C(S2)N)C#N)[N+](=O)[O-]	WKZFHIVAXRJZRH-UHFFFAOYSA-N
DG61290	NSC642600	3774228	"11-[(1-Nitro-9-oxo-9,10-dihydro-acridine-4-carbonyl)-amino]-undecanoic acid 5-acetylamino-4-{1-[1-(1-benzyloxycarbonyl-3-carbamoyl-propylcarbamoyl)-2-methyl-propylcarbamoyl]-ethoxy}-3-hydroxy-tetrahydro-pyran-2-ylmethyl ester; NSC642600; CHEMBL1979695; NSC-642600; NCI60_014397; [5-acetamido-4-[2-[[1-[(4-amino-1-benzyloxycarbonyl-4-oxo-butyl)carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethoxy]-3-hydroxy-tetrahydropyran-2-yl]methyl 11-[(1-nitro-9-oxo-10H-acridine-4-carbonyl)amino]undecanoate; 11-[(1-Nitro-9-oxo-9,10-dihydro-acridine-4-carbonyl)-amino]-undecanoic acid 5-acetylamino-4-{1-[1-(1-benzyloxycarbonyl-3-carbamoyl-propylcarbamoyl)-2-methyl-propylcarbamoyl]-ethoxy}-3-hydroxy-tetrahydro-pyran-2-ylmethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642600	.	.	.	.	1044.2	C53H69N7O15	326	1930	5.2	75	7	16	30	"InChI=1S/C53H69N7O15/c1-31(2)45(52(68)58-38(24-26-42(54)62)53(69)74-28-34-18-12-11-13-19-34)59-50(66)32(3)75-49-39(56-33(4)61)29-72-41(48(49)65)30-73-43(63)22-14-9-7-5-6-8-10-17-27-55-51(67)36-23-25-40(60(70)71)44-46(36)57-37-21-16-15-20-35(37)47(44)64/h11-13,15-16,18-21,23,25,31-32,38-39,41,45,48-49,65H,5-10,14,17,22,24,26-30H2,1-4H3,(H2,54,62)(H,55,67)(H,56,61)(H,57,64)(H,58,68)(H,59,66)"	CC(C)C(C(=O)NC(CCC(=O)N)C(=O)OCC1=CC=CC=C1)NC(=O)C(C)OC2C(COC(C2O)COC(=O)CCCCCCCCCCNC(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C(=O)C5=CC=CC=C5N4)NC(=O)C	BYEKHHDEJSWEMQ-UHFFFAOYSA-N
DG61291	"1h-Indole-2,3-dione 3-[(4-nitrophenyl)hydrazone]"	3776068	"31107-06-9; 1h-indole-2,3-dione 3-[(4-nitrophenyl)hydrazone]; 3-(2-(4-Nitrophenyl)hydrazono)indolin-2-one; 1224946-21-7; 1H-Indole-2,3-dione 3-((4-nitrophenyl)hydrazone); UNII-42Q6D94SDX; 42Q6D94SDX; 3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol; (3Z)-3-[2-(4-nitrophenyl)hydrazinylidene]-1,3-dihydro-2H-indol-2-one; (3Z)-3-[2-(4-nitrophenyl)hydrazin-1-ylidene]-2,3-dihydro-1H-indol-2-one; (3E)-3-[2-(4-nitrophenyl)hydrazinylidene]-1,3-dihydro-2H-indol-2-one; 1H-indole-2,3-dione 3-({4-nitrophenyl}hydrazone); (3Z)-3-(2-(4-Nitrophenyl)hydrazin-1-ylidene)-2,3-dihydro-1H-indol-2-one; EINECS 250-469-2; NSC116536; SCHEMBL8182518; CHEMBL1996168; 3-[(4-nitrophenyl)hydrazono]-1,3-dihydro-2H-indol-2-one; DTXSID40185047; ZINC4749699; MFCD00170807; STK063202; AKOS000492159; AKOS005110734; AKOS030253442; MCULE-2351071069; MS-6625; NSC 116536; NSC-116536; SB65913; NCI60_000376; 3-(2-(4-Nitrophenyl)hydrazinyl)indol-2-one; 3-(2-(4-nitrophenyl)hydrazono) indolin-2-one; AE-848/32102016; (Z)-3-(2-(4-Nitrophenyl)hydrazono)indolin-2-one; 3-[2-(4-Nitrophenyl)hydrazono]-1H-indole-2(3H)-one; (3E)-1H-indole-2,3-dione 3-[(4-nitrophenyl)hydrazone]; (3Z)-1H-indole-2,3-dione 3-[(4-nitrophenyl)hydrazone]; 3-(AZA((4-NITROPHENYL)AMINO)METHYLENE)INDOLIN-2-ONE; 1H-Indole-2,3-dione, 3-(2-(4-nitrophenyl)hydrazone), (3Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116536	.	.	.	.	282.25	C14H10N4O3	107	404	3.6	21	2	5	2	"InChI=1S/C14H10N4O3/c19-14-13(11-3-1-2-4-12(11)15-14)17-16-9-5-7-10(8-6-9)18(20)21/h1-8,15,19H"	C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=CC=C(C=C3)[N+](=O)[O-]	HHJYHWPKXWRLIE-UHFFFAOYSA-N
DG61292	"7-(4-Chloroanilino)-3-(4-nitrophenyl)triazolo[4,5-d]pyridazin-4-ol"	3784604	"NSC679075; CHEMBL1984622; NSC-679075; NCI60_028266; 7-(4-chloroanilino)-3-(4-nitrophenyl)triazolo[4,5-d]pyridazin-4-ol; 4-(4-Chloroanilino)-1-(4-(hydroxy(oxido)amino)phenyl)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679075	.	.	.	.	383.75	C16H10ClN7O3	130	612	2.6	27	2	6	3	"InChI=1S/C16H10ClN7O3/c17-9-1-3-10(4-2-9)18-15-13-14(16(25)21-20-15)23(22-19-13)11-5-7-12(8-6-11)24(26)27/h1-8H,(H,18,20)(H,21,25)"	C1=CC(=CC=C1NC2=NNC(=O)C3=C2N=NN3C4=CC=C(C=C4)[N+](=O)[O-])Cl	QCLHBRTVWSASGD-UHFFFAOYSA-N
DG61293	"2,4-dibromo-8,9-dichloro-1-nitro-10H-phenothiazine"	3785335	"NSC668293; 2,4-dibromo-8,9-dichloro-1-nitro-10H-phenothiazine; CHEMBL1994115; NSC-668293; NCI60_023785; 2,4-Dibromo-8,9-dichloro-1-(hydroxy(oxido)amino)-10H-phenothiazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668293	.	.	.	.	471	C12H4Br2Cl2N2O2S	83.2	431	6.1	21	1	4	0	"InChI=1S/C12H4Br2Cl2N2O2S/c13-4-3-5(14)12-10(11(4)18(19)20)17-9-7(21-12)2-1-6(15)8(9)16/h1-3,17H"	C1=CC(=C(C2=C1SC3=C(C=C(C(=C3N2)[N+](=O)[O-])Br)Br)Cl)Cl	RDHDWQQGGAXHCH-UHFFFAOYSA-N
DG61294	1-diisopropoxyphosphoryl-N-(2-hydroxyethyl)-N'-(4-nitroanilino)formamidine	3786165	NSC652146; CHEMBL1986428; NSC-652146; NCI60_018252; 1-diisopropoxyphosphoryl-N-(2-hydroxyethyl)-N'-(4-nitroanilino)formamidine; Diisopropyl ((2-hydroxyethyl)amino)-4-(hydroxy(oxido)amino)benzohydrazonoylphosphonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652146	.	.	.	.	388.36	C15H25N4O6P	138	501	2.4	26	3	8	10	"InChI=1S/C15H25N4O6P/c1-11(2)24-26(23,25-12(3)4)15(16-9-10-20)18-17-13-5-7-14(8-6-13)19(21)22/h5-8,11-12,17,20H,9-10H2,1-4H3,(H,16,18)"	CC(C)OP(=O)(C(=NCCO)NNC1=CC=C(C=C1)[N+](=O)[O-])OC(C)C	KYYFLYIYFJNJMX-UHFFFAOYSA-N
DG61295	"6-nitro-N,N'-diphenylquinoxaline-2,3-diamine"	3793309	"NSC671425; GNF-Pf-2168; 6-nitro-N,N'-diphenylquinoxaline-2,3-diamine; 6-nitro-N2,N3-diphenyl-quinoxaline-2,3-diamine; Oprea1_436894; Oprea1_797170; [6-Nitro-3-(phenylamino)quinoxalin-2-yl]phenylamine; CHEMBL578491; SCHEMBL17598175; ZINC5742031; STK389081; AKOS000430387; MCULE-1946732247; NSC-671425; NCI60_025273; 2,3-Dianilino-6-(hydroxy(oxido)amino)quinoxaline; 2,3-quinoxalinediamine, 6-nitro-N2,N3-diphenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671425	.	.	.	.	357.4	C20H15N5O2	95.7	487	4.8	27	2	6	4	"InChI=1S/C20H15N5O2/c26-25(27)16-11-12-17-18(13-16)24-20(22-15-9-5-2-6-10-15)19(23-17)21-14-7-3-1-4-8-14/h1-13H,(H,21,23)(H,22,24)"	C1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2NC4=CC=CC=C4	RPNCMLPRXMCLPW-UHFFFAOYSA-N
DG61296	"2,4-Diamino-6-ethyl-5-(3-nitro-4-[(2-phenylethyl)amino]phenyl)pyrimidine"	3795021	"CHEMBL312232; NSC382049; Neuro_000221; SCHEMBL8590355; ZINC5479500; BDBM50405804; NSC-382049; NCI60_003647; 2, 6-ethyl-5-[3-nitro- 4-[(2-phenylethyl)amino]phenyl]-; 2,4-Diamino-6-ethyl-5-(3-nitro-4-[(2-phenylethyl)amino]phenyl)pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382049	.	.	.	.	378.4	C20H22N6O2	136	496	4.2	28	3	7	6	"InChI=1S/C20H22N6O2/c1-2-15-18(19(21)25-20(22)24-15)14-8-9-16(17(12-14)26(27)28)23-11-10-13-6-4-3-5-7-13/h3-9,12,23H,2,10-11H2,1H3,(H4,21,22,24,25)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCCC3=CC=CC=C3)[N+](=O)[O-]	QYERPKPGUXIFHG-UHFFFAOYSA-N
DG61297	"[[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]thiourea"	3807643	MLS002702225; NSC670270; CHEMBL1732079; NSC-670270; NCI60_024690; SMR001565788	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670270	.	.	.	.	447.5	C21H25N3O6S	138	616	3.2	31	3	8	6	"InChI=1S/C21H25N3O6S/c1-10-18(11-5-16(25-2)19(27-4)17(6-11)26-3)12-7-14-15(29-9-28-14)8-13(12)30-20(10)23-24-21(22)31/h5-8,10,18,20,23H,9H2,1-4H3,(H3,22,24,31)"	CC1C(C2=CC3=C(C=C2OC1NNC(=S)N)OCO3)C4=CC(=C(C(=C4)OC)OC)OC	JUNCLJIIVWLKKX-UHFFFAOYSA-N
DG61298	"[4,5-Diacetyloxy-6-[5-bromo-3-(carbamothioyldiazenyl)-2-hydroxyindol-1-yl]oxan-3-yl] acetate"	3808513	NSC649177; CHEMBL1982946; NSC-649177; NCI60_017170	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649177	.	.	.	.	557.4	C20H21BrN4O8S	196	847	2.3	34	2	10	8	"InChI=1S/C20H21BrN4O8S/c1-8(26)31-14-7-30-19(17(33-10(3)28)16(14)32-9(2)27)25-13-5-4-11(21)6-12(13)15(18(25)29)23-24-20(22)34/h4-6,14,16-17,19,29H,7H2,1-3H3,(H2,22,34)"	CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=C(C=C(C=C3)Br)C(=C2O)N=NC(=S)N	SSWIIAMBMVJWHL-UHFFFAOYSA-N
DG61299	"2-nitro-N-(1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide"	3809354	NSC622918; CHEMBL1996997; SCHEMBL21379718; ZINC12952985; NSC-622918; NCI60_006777	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622918	.	.	.	.	408.4	C24H16N4O3	104	662	4.6	31	2	4	3	"InChI=1S/C24H16N4O3/c29-24(18-8-4-5-9-21(18)28(30)31)26-16-10-11-20-19(14-16)17-12-13-25-22(23(17)27-20)15-6-2-1-3-7-15/h1-14,27H,(H,26,29)"	C1=CC=C(C=C1)C2=NC=CC3=C2NC4=C3C=C(C=C4)NC(=O)C5=CC=CC=C5[N+](=O)[O-]	RFGISXPJCQEKJY-UHFFFAOYSA-N
DG61300	NSC646614	3815262	[5-acetamido-6-benzyloxy-4-[2-[[2-[(4-benzyloxy-1-carbamoyl-4-oxo-butyl)amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethoxy]-3-hydroxy-tetrahydropyran-2-yl]methyl 6-[(7-hydroxy-4-nitro-9-oxo-10H-acridin-1-yl)amino]hexanoate; NSC646614; {6-O/N[4'-Nitroacridone-9'(10H)-yl-7'-hydroxyl]-1'-} aminocapronoyl/-MDP; [5-acetamido-6-benzyloxy-4-[2-[[2-[(4-benzyloxy-1-carbamoyl-4-oxo-butyl)amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethoxy]-3-hydroxy-tetrahydropyran-2-yl]methyl 6-[(7-hydroxy-4-nitro-9-oxo-10H-acridin-1-yl)amino]hexanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646614	.	.	.	.	1040.099	C52H61N7O16	338	1930	3.9	75	8	18	27	"InChI=1S/C52H61N7O16/c1-29(50(67)58-38(49(53)66)21-23-42(63)71-26-32-13-7-4-8-14-32)55-51(68)30(2)74-48-45(56-31(3)60)52(73-27-33-15-9-5-10-16-33)75-40(47(48)65)28-72-41(62)17-11-6-12-24-54-37-20-22-39(59(69)70)44-43(37)46(64)35-25-34(61)18-19-36(35)57-44/h4-5,7-10,13-16,18-20,22,25,29-30,38,40,45,47-48,52,54,61,65H,6,11-12,17,21,23-24,26-28H2,1-3H3,(H2,53,66)(H,55,68)(H,56,60)(H,57,64)(H,58,67)"	CC(C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)N)NC(=O)C(C)OC2C(C(OC(C2O)COC(=O)CCCCCNC3=C4C(=C(C=C3)[N+](=O)[O-])NC5=C(C4=O)C=C(C=C5)O)OCC6=CC=CC=C6)NC(=O)C	QPTTWXLIEFYNIN-UHFFFAOYSA-N
DG61301	methyl N-[(5-nitro-3-oxo-2-phenyl-pyridazin-4-yl)amino]carbamate	3822841	"NSC641821; CHEMBL2005142; NSC-641821; NCI60_014131; methyl N-[(5-nitro-3-oxo-2-phenyl-pyridazin-4-yl)amino]carbamate; Methyl 2-(5-(hydroxy(oxido)amino)-3-oxo-2-phenyl-2,3-dihydro-4-pyridazinyl)hydrazinecarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641821	.	.	.	.	305.25	C12H11N5O5	129	533	2.3	22	2	7	4	"InChI=1S/C12H11N5O5/c1-22-12(19)15-14-10-9(17(20)21)7-13-16(11(10)18)8-5-3-2-4-6-8/h2-7,14H,1H3,(H,15,19)"	COC(=O)NNC1=C(C=NN(C1=O)C2=CC=CC=C2)[N+](=O)[O-]	AUZKHCZIHKJIDP-UHFFFAOYSA-N
DG61302	"1,3-Dinitro-10H-phenoxazine"	3824594	"1,3-Dinitro-10H-phenoxazine; 1,3-Dinitrophenoxazine; 26103-32-2; MLS002920485; NSC139948; Oprea1_311355; CHEMBL1890385; DTXSID30948981; 1,3-Dinitro-10H-phenoxazine #; ZINC4300911; MCULE-2589651516; NSC-139948; SMR001798075"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	139948	.	.	.	.	273.2	C12H7N3O5	113	407	2.7	20	1	6	0	"InChI=1S/C12H7N3O5/c16-14(17)7-5-9(15(18)19)12-11(6-7)20-10-4-2-1-3-8(10)13-12/h1-6,13H"	C1=CC=C2C(=C1)NC3=C(C=C(C=C3O2)[N+](=O)[O-])[N+](=O)[O-]	BNCNPPGADFFASS-UHFFFAOYSA-N
DG61303	"2-anilino-N'-(2,4-dinitrophenyl)-4-methyl-thiazole-5-carbohydrazide"	3837233	"NSC637676; CHEMBL1973118; ZINC5723272; NSC-637676; NCI60_012522; 2-anilino-N'-(2,4-dinitrophenyl)-4-methyl-thiazole-5-carbohydrazide; 2-Anilino-N'-(2,4-bis(hydroxy(oxido)amino)phenyl)-4-methyl-1,3-thiazole-5-carbohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637676	.	.	.	.	414.4	C17H14N6O5S	186	608	4.9	29	3	9	5	"InChI=1S/C17H14N6O5S/c1-10-15(29-17(18-10)19-11-5-3-2-4-6-11)16(24)21-20-13-8-7-12(22(25)26)9-14(13)23(27)28/h2-9,20H,1H3,(H,18,19)(H,21,24)"	CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]	NBURCQUYRPUOQB-UHFFFAOYSA-N
DG61304	3-nitro-10H-phenothiazine	3838042	3-nitro-10H-phenothiazine; NSC675587; CHEMBL1976750; C12H8N2O2S; 1628-77-9; 3-nitrophenothiazine; SCHEMBL239724; ZINC5742339; BDBM50389291; NSC-675587; NCI60_026698; 3-(Hydroxy(oxido)amino)-10H-phenothiazine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675587	.	.	.	.	244.27	C12H8N2O2S	83.2	307	4	17	1	4	0	"InChI=1S/C12H8N2O2S/c15-14(16)8-5-6-10-12(7-8)17-11-4-2-1-3-9(11)13-10/h1-7,13H"	C1=CC=C2C(=C1)NC3=C(S2)C=C(C=C3)[N+](=O)[O-]	CLXYGCPNHLXLPD-UHFFFAOYSA-N
DG61305	NSC652151	3838849	1-diisopropoxyphosphoryl-N-[4-[(E)-[diisopropoxyphosphoryl-[2-(4-nitrophenyl)hydrazino]methylene]amino]phenyl]-N'-(4-nitroanilino)formamidine; NSC652151; CHEMBL1976409; NSC-652151; NCI60_018256; 1-diisopropoxyphosphoryl-N-[4-[(E)-[diisopropoxyphosphoryl-[2-(4-nitrophenyl)hydrazino]methylene]amino]phenyl]-N'-(4-nitroanilino)formamidine; Diisopropyl ((4-(((diisopropoxyphosphoryl)-4-(hydroxy(oxido)amino)benzohydrazonoyl)amino)phenyl)imino)(2-(4-(hydroxy(oxido)amino)phenyl)hydrazino)methylphosphonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652151	.	.	.	.	762.7	C32H44N8O10P2	236	1170	7.6	52	4	14	18	"InChI=1S/C32H44N8O10P2/c1-21(2)47-51(45,48-22(3)4)31(37-35-27-13-17-29(18-14-27)39(41)42)33-25-9-11-26(12-10-25)34-32(52(46,49-23(5)6)50-24(7)8)38-36-28-15-19-30(20-16-28)40(43)44/h9-24,35-36H,1-8H3,(H,33,37)(H,34,38)"	CC(C)OP(=O)(C(=NC1=CC=C(C=C1)N=C(NNC2=CC=C(C=C2)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C)NNC3=CC=C(C=C3)[N+](=O)[O-])OC(C)C	PSMXAXDCBZSGFU-UHFFFAOYSA-N
DG61306	"3-amino-6-ethyl-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	3839343	"3-amino-6-ethyl-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; 445268-95-1; 3-amino-6-ethyl-N-(2-methylphenyl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide; CHEMBL3769898; NSC775443; STK545141; AKOS003598309; MCULE-9445074828; NSC-775443; SS-0592; CS-0332203; AM-807/13615844; 3-Amino-6-ethyl-N-(o-tolyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; N-(o-Tolyl)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775443	.	.	.	.	365.5	C21H23N3OS	96.2	516	5.6	26	2	4	3	"InChI=1S/C21H23N3OS/c1-3-13-8-9-17-14(10-13)11-15-18(22)19(26-21(15)24-17)20(25)23-16-7-5-4-6-12(16)2/h4-7,11,13H,3,8-10,22H2,1-2H3,(H,23,25)"	CCC1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)NC4=CC=CC=C4C)N	VEVMVTMLUHCHNL-UHFFFAOYSA-N
DG61307	"N-acetonyl-N'-(2,4-dinitroanilino)acetamidine"	3840075	"NSC664550; CHEMBL1979757; NSC-664550; NCI60_022242; N-acetonyl-N'-(2,4-dinitroanilino)acetamidine; N'-(2,4-Bis(hydroxy(oxido)amino)phenyl)-N-(2-oxopropyl)ethanehydrazonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664550	.	.	.	.	295.25	C11H13N5O5	145	441	1.7	21	2	7	5	"InChI=1S/C11H13N5O5/c1-7(17)6-12-8(2)13-14-10-4-3-9(15(18)19)5-11(10)16(20)21/h3-5,14H,6H2,1-2H3,(H,12,13)"	CC(=O)CN=C(C)NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]	YZVTYCCWJNFIFV-UHFFFAOYSA-N
DG61308	"(+-)-3-Bromomethyl-2,3-dichloro-7-methyl-1-octene"	3847619	"NCI60_026037; CHEMBL1992318; NSC673500; NSC-673500; (+-)-3-Bromomethyl-2,3-dichloro-7-methyl-1-octene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673500	.	.	.	.	288.05	C10H17BrCl2	0	168	5.1	13	0	0	6	"InChI=1S/C10H17BrCl2/c1-8(2)5-4-6-10(13,7-11)9(3)12/h8H,3-7H2,1-2H3"	CC(C)CCCC(CBr)(C(=C)Cl)Cl	GLBMCWLLZFUFDL-UHFFFAOYSA-N
DG61309	Cyclo(leucylphenylalanylprolylvalylornithylleucylphenylalanylprolylvalylornithyl)	3851247	NCGC00095992-01; Spectrum_000833; Spectrum2_001076; Spectrum3_001749; Spectrum4_000106; Spectrum5_001779; BSPBio_003458; KBioGR_000432; KBioSS_001313; SPECTRUM1500319; SPBio_001092; KBio2_001313; KBio2_003881; KBio2_006449; KBio3_002678; HMS2091H19; Pharmakon1600-01500319; CCG-39758; NSC757043; STK177209; AKOS005410749; MCULE-2433074064; NSC-757043; NCGC00095992-02; SBI-0051395.P003; FT-0775150; G05080; cyclo(leucylphenylalanylprolylvalylornithylleucylphenylalanylprolylvalylornithyl)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757043	.	.	.	.	1141.4	C60H92N12O10	326	2020	4.6	82	10	12	16	"InChI=1S/C60H92N12O10/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77)"	CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)N1)CCCN)C(C)C)CC4=CC=CC=C4)CC(C)C)CCCN)C(C)C)CC5=CC=CC=C5	IUAYMJGZBVDSGL-UHFFFAOYSA-N
DG61310	"1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]-"	3879067	"CHEMBL1996228; NSC252628; NSC-252628; 1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	252628	.	.	.	.	324.17	C9H7N7O2Se	118	354	.	19	1	6	2	"InChI=1S/C9H7N7O2Se/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)"	CN1C=NC(=C1[Se]C2=NC=NC3=C2NC=N3)[N+](=O)[O-]	YUQADPHDBUOACB-UHFFFAOYSA-N
DG61311	2-(Benzenecarbonothioylamino)benzoic acid	3886168	NSC176371; CHEMBL1990077; ZINC6514113; NSC-176371; NCI60_001457	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176371	.	.	.	.	257.31	C14H11NO2S	81.4	313	4.1	18	2	3	3	"InChI=1S/C14H11NO2S/c16-14(17)11-8-4-5-9-12(11)15-13(18)10-6-2-1-3-7-10/h1-9H,(H,15,18)(H,16,17)"	C1=CC=C(C=C1)C(=S)NC2=CC=CC=C2C(=O)O	BIBRRKBRYMBTBP-UHFFFAOYSA-N
DG61312	"2-(3,4,5-Trimethoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidine-4(3H)-one"	3886853	"NSC775878; ZINC104353151; NSC-775878; J3.550.921F; 2-(3,4,5-Trimethoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidine-4(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775878	.	.	.	.	400.5	C21H24N2O4S	97.4	587	4.6	28	1	6	4	"InChI=1S/C21H24N2O4S/c1-25-14-10-12(11-15(26-2)18(14)27-3)19-22-20(24)17-13-8-6-4-5-7-9-16(13)28-21(17)23-19/h10-11H,4-9H2,1-3H3,(H,22,23,24)"	COC1=CC(=CC(=C1OC)OC)C2=NC3=C(C4=C(S3)CCCCCC4)C(=O)N2	HYXOATCEUFLRBA-UHFFFAOYSA-N
DG61313	NSC326203	3910127	Neolan Yellow BE; NSC326203	.	.	Investigative Drug(s)	Investigative	Small molecular drug	326203	.	.	.	.	565.5	C18H17CrN4O10S2-	208	1060	.	35	4	12	2	"InChI=1S/C18H16N4O9S2.Cr.H2O/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25;;/h3-8,16H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31);;1H2/p-1"	CC1=C(C=CC(=C1)S(=O)(=O)O)N2C(=[OH+])C(C(=N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)[O-])C(=O)O.[OH-].[Cr]	HECJUJJWHOKCNV-UHFFFAOYSA-M
DG61314	"6-(2-Fluorophenyl)-1,3-dioxolo[4,5-g]quinoline-8(5H)-thione"	3910131	"CHEMBL126873; NSC700269; SCHEMBL7004604; BDBM50106311; NSC-700269; NCI60_035991; 1,5-g]quinolin-8(5H)-thione, 6-(2-fluorophenyl)-; 6-(2-Fluoro-phenyl)-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione; 6-(2-Fluorophenyl)-1,3-dioxolo[4,5-g]quinoline-8(5H)-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700269	.	.	.	.	299.3	C16H10FNO2S	62.6	469	3.7	21	1	5	1	"InChI=1S/C16H10FNO2S/c17-11-4-2-1-3-9(11)13-7-16(21)10-5-14-15(20-8-19-14)6-12(10)18-13/h1-7H,8H2,(H,18,21)"	C1OC2=C(O1)C=C3C(=C2)C(=S)C=C(N3)C4=CC=CC=C4F	RTKBTOBVVVSYDO-UHFFFAOYSA-N
DG61315	N-[4-(9-acridinylmethyl)-3-methoxyphenyl]methanesulfonamide	3926765	N-[4-(9-acridinylmethyl)-3-methoxyphenyl]methanesulfonamide; N-[4-(acridin-9-ylmethyl)-3-methoxyphenyl]methanesulfonamide; KBio3_002781; Spectrum3_001860; BSPBio_003280; CHEMBL1624239; SCHEMBL14479866; CHEBI:93727; HMS2093A11; Pharmakon1600-01503256; NSC758423; CCG-213145; NSC-758423; SBI-0206714.P001; AB01562989_01; SR-05000001846; SR-05000001846-1; BRD-K98490050-001-01-8; BRD-K98490050-003-01-4; Q27165420	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758423	.	.	.	.	392.5	C22H20N2O3S	76.7	598	4.4	28	1	5	5	"InChI=1S/C22H20N2O3S/c1-27-22-14-16(24-28(2,25)26)12-11-15(22)13-19-17-7-3-5-9-20(17)23-21-10-6-4-8-18(19)21/h3-12,14,24H,13H2,1-2H3"	COC1=C(C=CC(=C1)NS(=O)(=O)C)CC2=C3C=CC=CC3=NC4=CC=CC=C42	JRNUZHHDXNSOMO-UHFFFAOYSA-N
DG61316	"Carbanilide, N-benzylthio-"	3933957	"Carbanilide, N-benzylthio-; 3053-39-2; 1-benzyl-1,3-diphenylthiourea; NSC131977; N-Benzylthiocarbanilido; CHEMBL1985225; DTXSID10398066; N-Benzyl-N,N'-diphenylthiourea #; ZINC1719455; AKOS000946756; MCULE-7430179681; NSC-131977"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131977	.	.	.	.	318.4	C20H18N2S	47.4	353	4.8	23	1	1	4	"InChI=1S/C20H18N2S/c23-20(21-18-12-6-2-7-13-18)22(19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1-15H,16H2,(H,21,23)"	C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=S)NC3=CC=CC=C3	ZDBPEGOAAIRGTO-UHFFFAOYSA-N
DG61317	2-Amino-6-mercaptopurine riboside	3938248	"2-Amino-6-mercaptopurine riboside; Ribosylthioguanine; Thioguanine riboside; MLS000738229; 6-Thioguanine riboside; 6-Mercaptoguanosine; 6-Thioguanine ribonucleoside; SRI 759; 6-Thiodeoxyguanosine; NSC-29422; Guanosine, 6-thio-; 2-Amino-6-mercaptopurine ribonucleoside; SK 18615; SMR000528588; 2-Amino-9-(.beta.-D-ribofuranosyl)purine-6-thiol; 2-Amino-6-mercapto-9(.beta.-D-ribofuranosyl)purine; 2-Amino-9.beta.-D-ribofuranosyl-9H-purine-6-thiol; 9H-Purine-6-thiol, 2-amino-9.beta.-D-ribofuranosyl-; 9H-Purine-6-thiol, 2-amino-9-.beta.-D-arabinofuranosyl-, hydrate (4:1); TGR; TGS; 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione; NCIOpen2_005616; Oprea1_785394; CHEMBL119171; SCHEMBL14156817; BDBM50654; cid_3938248; HMS2883I18; HMS3374O01; NSC29422; NSC89218; 5-(2-amino-6-sulfanylpurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol; NSC-89218; NSC109159; NSC123432; NSC133418; 9H-Purine-6-thiol, hydrate (4:1); AKOS003382203; MCULE-3695609402; NSC-109159; NSC-123432; NSC-133418; 2-(2-amino-6-mercapto-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; 7602-04-2; DB-056861; FT-0631397; SR-01000760052; SR-01000760052-3; 2-Amino-6-mercapto-9-(.beta.-D-ribofuranosyl)purine; 9H-Purine-6-thiol, 2-amino-9-.beta.-D-ribofuranosyl-; WLN: T56 BN DN FN HNJ GZ ISH D- BT5OTJ CQ DQ E1Q; 6H-Purine-6-thione, 2-amino-1,9-dihydro-9-.beta.-D-ribofuranosyl-; 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purine-6-thione; 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione; 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-6-thione; 26017-62-9; 32865-28-4; 32976-84-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	29422	.	.	.	.	299.31	C10H13N5O4S	170	449	-1.2	20	5	6	2	"InChI=1S/C10H13N5O4S/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)"	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=S)N	OTDJAMXESTUWLO-UHFFFAOYSA-N
DG61318	"ethyl 3,5-dinitro-4-(7H-purin-6-ylsulfanyl)benzoate"	3938430	"59921-64-1; ethyl 3,5-dinitro-4-(7H-purin-6-ylsulfanyl)benzoate; NCI60_001954; CHEMBL1991746; SCHEMBL13743021; DTXSID40398099; NSC244708; ZINC17059223; NSC-244708; DS-001060; ethyl 3,5-dinitro-4-(5H-purin-6-ylsulfanyl)benzoate; Benzoic acid,5-dinitro-4-(1H-purin-6-ylthio)-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	244708	.	.	.	.	390.33	C14H10N6O6S	198	561	2.4	27	1	10	5	"InChI=1S/C14H10N6O6S/c1-2-26-14(21)7-3-8(19(22)23)11(9(4-7)20(24)25)27-13-10-12(16-5-15-10)17-6-18-13/h3-6H,2H2,1H3,(H,15,16,17,18)"	CCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]	WTXYVXWWBVDERD-UHFFFAOYSA-N
DG61319	"7H-Pyrido[3, 4-(4-bromo-phenyl)-5,6-dihydro-2-phenyl-"	3939015	"NSC684459; CHEMBL24896; NSC-684459; NCI60_030372; 7H-Pyrido[3, 4-(4-bromo- phenyl)-5,6-dihydro-2-phenyl-; 2-Phenyl-4-(4-bromophenyl)-1,7-diaza-5H-dibenzo[a,c]cycloheptene-6(7H)-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684459	.	.	.	.	457.4	C25H17BrN2S	57	569	5.9	29	1	2	2	"InChI=1S/C25H17BrN2S/c26-18-12-10-16(11-13-18)20-14-23(17-6-2-1-3-7-17)28-25-19-8-4-5-9-22(19)27-24(29)15-21(20)25/h1-14H,15H2,(H,27,29)"	C1C2=C(C3=CC=CC=C3NC1=S)N=C(C=C2C4=CC=C(C=C4)Br)C5=CC=CC=C5	FYOHNOBXPNVVRE-UHFFFAOYSA-N
DG61320	"N-(5-methyl-1,3-thiazol-2-yl)-3-phenyl-2-(phenylformamido)propanamide"	3955158	"SCHEMBL20131153; NSC744152; AKOS017069675; MCULE-7360327891; NSC-744152; Z29325634; N-(5-methyl-1,3-thiazol-2-yl)-3-phenyl-2-(phenylformamido)propanamide; 1008965-16-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744152	.	.	.	.	365.5	C20H19N3O2S	99.3	476	3.9	26	2	4	6	"InChI=1S/C20H19N3O2S/c1-14-13-21-20(26-14)23-19(25)17(12-15-8-4-2-5-9-15)22-18(24)16-10-6-3-7-11-16/h2-11,13,17H,12H2,1H3,(H,22,24)(H,21,23,25)"	CC1=CN=C(S1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3	MHIQLGJPMZNFJQ-UHFFFAOYSA-N
DG61321	3-bromo-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide	3967840	MLS000756536; NSC215721; CHEMBL1450669; ZINC6511573; NSC-215721; SMR000528785	.	.	Investigative Drug(s)	Investigative	Small molecular drug	215721	.	.	.	.	385.7	C14H10BrClN2O2S	93.4	399	4.5	21	3	3	2	"InChI=1S/C14H10BrClN2O2S/c15-9-3-1-2-8(6-9)13(20)18-14(21)17-11-7-10(16)4-5-12(11)19/h1-7,19H,(H2,17,18,20,21)"	C1=CC(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)O	KGJIMOHXZUUUBR-UHFFFAOYSA-N
DG61322	6-(5-nitropyridin-2-yl)sulfanyl-7H-purin-2-amine	3977545	NCI60_037114; CHEMBL1996734; NSC704077; NSC-704077	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704077	.	.	.	.	289.28	C10H7N7O2S	165	368	1.2	20	2	8	2	"InChI=1S/C10H7N7O2S/c11-10-15-8-7(13-4-14-8)9(16-10)20-6-2-1-5(3-12-6)17(18)19/h1-4H,(H3,11,13,14,15,16)"	C1=CC(=NC=C1[N+](=O)[O-])SC2=NC(=NC3=C2NC=N3)N	WYJFAXJZRYHOEC-UHFFFAOYSA-N
DG61323	"[3,4-di(butanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl butanoate"	4019652	NSC76952; 7764-80-9; DTXSID50398580; NSC-76952	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76952	.	.	.	.	494.6	C22H30N4O7S	162	795	3.1	34	1	9	14	"InChI=1S/C22H30N4O7S/c1-4-7-14(27)30-10-13-18(32-15(28)8-5-2)19(33-16(29)9-6-3)22(31-13)26-12-25-17-20(26)23-11-24-21(17)34/h11-13,18-19,22H,4-10H2,1-3H3,(H,23,24,34)"	CCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)CCC)OC(=O)CCC	BHPPLUZZMFOJAN-UHFFFAOYSA-N
DG61324	"Sangivamycin, 6-aminothio-"	4033014	"NSC180525; 57071-58-6; Sangivamycin, 6-aminothio-; DTXSID80398659; NSC-180525"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	180525	.	.	.	.	340.36	C12H16N6O4S	211	473	-1.7	23	6	9	3	"InChI=1S/C12H16N6O4S/c13-8-4-5(10(15)23)9(14)18(11(4)17-2-16-8)12-7(21)6(20)3(1-19)22-12/h2-3,6-7,12,19-21H,1,14H2,(H2,15,23)(H2,13,16,17)"	C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)N)C(=S)N)N	HPCAEYRDTFITHI-UHFFFAOYSA-N
DG61325	"7-(hydroxy(oxido)amino)-2-(5-(phenoxymethyl)-1H-indol-3-yl)-2,4-dihydrofuro[2,3-b]quinoxalin-3-ol"	4066133	"NSC372294; NSC-372294; CHEMBL1990323; SCHEMBL15087105; NCI60_003455; 7-(hydroxy(oxido)amino)-2-(5-(phenoxymethyl)-1H-indol-3-yl)-2,4-dihydrofuro[2,3-b]quinoxalin-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372294	.	.	.	.	454.4	C25H18N4O5	121	838	4.9	34	3	7	4	"InChI=1S/C25H18N4O5/c30-23-22-25(28-21-11-15(29(31)32)7-9-20(21)27-22)34-24(23)18-12-26-19-8-6-14(10-17(18)19)13-33-16-4-2-1-3-5-16/h1-12,24,26-28H,13H2"	C1=CC=C(C=C1)OCC2=CC3=C(C=C2)NC=C3C4C(=O)C5=C(O4)NC6=C(N5)C=CC(=C6)[N+](=O)[O-]	KECPYETZFMNBAJ-UHFFFAOYSA-N
DG61326	5-(6-Aminopurin-9-yl)-4-azido-2-(hydroxymethyl)oxolan-3-ol	4127885	"5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)oxolan-3-ol; NSC350378; 58699-61-9; 29411-71-0; CHEMBL2068741; DTXSID10951938; NSC105299; NSC274942; NSC-105299; NSC-274942; 9-(2-Azido-2-deoxypentofuranosyl)-9H-purin-6-amine; 9H-Purin-6-amine, 9-(2-azido-2-deoxy--D-arabinofuranosyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	350378	.	.	.	.	292.25	C10H12N8O3	134	433	-0.2	21	3	9	3	"InChI=1S/C10H12N8O3/c11-8-6-9(14-2-13-8)18(3-15-6)10-5(16-17-12)7(20)4(1-19)21-10/h2-5,7,10,19-20H,1H2,(H2,11,13,14)"	C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)N=[N+]=[N-])N	IFVJLCHSLGMHEY-UHFFFAOYSA-N
DG61327	"N-[1-(2-chloro-4,5-diethoxyphenyl)ethyl]-3-methoxybenzamide"	4139926	TCMDC-125450; CHEMBL537505; MMV665803; NSC766546; NSC-766546	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766546	.	.	.	.	377.9	C20H24ClNO4	56.8	436	4.4	26	1	4	8	"InChI=1S/C20H24ClNO4/c1-5-25-18-11-16(17(21)12-19(18)26-6-2)13(3)22-20(23)14-8-7-9-15(10-14)24-4/h7-13H,5-6H2,1-4H3,(H,22,23)"	CCOC1=C(C=C(C(=C1)C(C)NC(=O)C2=CC(=CC=C2)OC)Cl)OCC	ZWACZQHGJUMQPG-UHFFFAOYSA-N
DG61328	5-Benzo[b]thiophen-3-yl-1H-indole-3-carbaldehyde	4187155	SCHEMBL15330951; NSC743364; NSC-743364; 5-Benzo[b]thiophen-3-yl-1H-indole-3-carbaldehyde	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743364	.	.	.	.	277.3	C17H11NOS	61.1	374	4.2	20	1	2	2	"InChI=1S/C17H11NOS/c19-9-12-8-18-16-6-5-11(7-14(12)16)15-10-20-17-4-2-1-3-13(15)17/h1-10,18H"	C1=CC=C2C(=C1)C(=CS2)C3=CC4=C(C=C3)NC=C4C=O	YUWFYGOPTQGIQU-UHFFFAOYSA-N
DG61329	"Inosine, 2',3',5'-tripentanoate"	4208664	"NSC77495; Inosine, 2',3',5'-tripentanoate; NSC-77495; 9H-Purine-6-thiol, 2',3',5'-trivalerate, hemihydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	77495	.	.	.	.	536.6	C25H36N4O7S	162	842	4.7	37	1	9	17	"InChI=1S/C25H36N4O7S/c1-4-7-10-17(30)33-13-16-21(35-18(31)11-8-5-2)22(36-19(32)12-9-6-3)25(34-16)29-15-28-20-23(29)26-14-27-24(20)37/h14-16,21-22,25H,4-13H2,1-3H3,(H,26,27,37)"	CCCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)CCCC)OC(=O)CCCC	QTANWLKOHYGFPW-UHFFFAOYSA-N
DG61330	"N3-cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine"	4259181	"SCH79797; SCH-79797; 245520-69-8; CHEMBL63426; 7H-Pyrrolo[3,2-f]quinazoline-1,3-diamine, N3-cyclopropyl-7-[[4-(1-methylethyl)phenyl]methyl]-; N3-cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine; N3-cyclopropyl-7-[[4-(1-methylethyl)phenyl]methyl]-7H-pyrrolo[3, 2-f]quinazoline-1,3-diamine; SCH 79797; NCGC00025225-01; Tocris-1592; SCHEMBL1760395; CHEBI:94998; GTPL10971; ZINC1490299; BDBM50079751; NSC807121; NSC-807121; 3-N-cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine; NCGC00025225-02; HY-14993; CS-0003683; BRD-K17140735-300-01-6; Q27166760; N'-cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine; N*3*-Cyclopropyl-7-(4-isopropyl-benzyl)-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine; N3-Cyclopropyl-7-(4-isopropylbenzyl)-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine; n3-cyclopropyl-7-[[4-(1-methylethyl)phenyl]methyl]-7h-pyrrolo[3,2-f]quinazoline-1,3-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	807121	.	.	.	.	371.5	C23H25N5	68.8	527	4.9	28	2	4	5	"InChI=1S/C23H25N5/c1-14(2)16-5-3-15(4-6-16)13-28-12-11-18-20(28)10-9-19-21(18)22(24)27-23(26-19)25-17-7-8-17/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H3,24,25,26,27)"	CC(C)C1=CC=C(C=C1)CN2C=CC3=C2C=CC4=C3C(=NC(=N4)NC5CC5)N	AVXQPEKZIGPIJW-UHFFFAOYSA-N
DG61331	"11-Pyridin-4-yl-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaen-20-one"	4261195	SCHEMBL22144876; NSC694494; NSC-694494	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694494	.	.	.	.	360.4	C23H12N4O	68.6	605	3.4	28	0	5	1	InChI=1S/C23H12N4O/c28-23-15-5-3-9-25-20(15)21-19-16(12-18(27-21)13-7-10-24-11-8-13)14-4-1-2-6-17(14)26-22(19)23/h1-12H	C1=CC=C2C(=C1)C3=CC(=NC4=C3C(=N2)C(=O)C5=C4N=CC=C5)C6=CC=NC=C6	KBNNCUHAQAZPLK-UHFFFAOYSA-N
DG61332	4-nitro-N-[4-(pyridin-4-ylamino)phenyl]benzamide	4261343	MLS000766130; NSC146769; 23552-71-8; CHEMBL1336446; SCHEMBL12218027; DTXSID70401348; HMS2886D06; ZINC21428582; NSC-146769; SMR000528618	.	.	Investigative Drug(s)	Investigative	Small molecular drug	146769	.	.	.	.	334.3	C18H14N4O3	99.8	446	3.1	25	2	5	4	"InChI=1S/C18H14N4O3/c23-18(13-1-7-17(8-2-13)22(24)25)21-15-5-3-14(4-6-15)20-16-9-11-19-12-10-16/h1-12H,(H,19,20)(H,21,23)"	C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)NC3=CC=NC=C3)[N+](=O)[O-]	LXRNPLQXTWJKIP-UHFFFAOYSA-N
DG61333	2-(4-chloro-2-methylphenoxy)-N-(4-chlorobenzo[d]thiazol-2-yl)acetamide	4266640	NSC736563; NSC-736563; 2-(4-chloro-2-methylphenoxy)-N-(4-chlorobenzo[d]thiazol-2-yl )acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736563	.	.	.	.	367.2	C16H12Cl2N2O2S	79.5	429	5.2	23	1	4	4	"InChI=1S/C16H12Cl2N2O2S/c1-9-7-10(17)5-6-12(9)22-8-14(21)19-16-20-15-11(18)3-2-4-13(15)23-16/h2-7H,8H2,1H3,(H,19,20,21)"	CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=NC3=C(S2)C=CC=C3Cl	IQXCFHUNGHLZTH-UHFFFAOYSA-N
DG61334	1-(2-Methoxy-6-nitroacridin-9-yl)-2-(4-chlorophenyl)hydrazine	4267516	"NSC689873; CHEMBL2006624; ZINC5581261; NSC-689873; NCI60_032324; 1-(2-Methoxy-6-nitroacridin-9-yl)-2-(4-chlorophenyl)hydrazine; 1-(4-chlorophenyl)-2-(2-methoxy-6-nitro-acridin-9-yl)hydrazine; 9-Acridine, 9-[(4-chlorophenyl)hydrazino]-2-methoxy- 6-nitro-; 9-(2-(4-Chlorophenyl)hydrazino)-6-(hydroxy(oxido)amino)-2-methoxyacridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689873	.	.	.	.	394.8	C20H15ClN4O3	92	540	5.8	28	2	6	4	"InChI=1S/C20H15ClN4O3/c1-28-15-7-9-18-17(11-15)20(24-23-13-4-2-12(21)3-5-13)16-8-6-14(25(26)27)10-19(16)22-18/h2-11,23H,1H3,(H,22,24)"	COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NNC4=CC=C(C=C4)Cl	PFOKMOALFBOTCS-UHFFFAOYSA-N
DG61335	1-(4-Methylphenyl)-3-[(4-methylphenyl)carbamothioylamino]thiourea	4268411	MLS002608359; 2209-25-8; NSC42070; CHEMBL1871029; DTXSID90401406; HMS3088G07; ZINC1674980; NSC-42070; SMR001527108	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42070	.	.	.	.	330.5	C16H18N4S2	112	336	3.8	22	4	2	2	"InChI=1S/C16H18N4S2/c1-11-3-7-13(8-4-11)17-15(21)19-20-16(22)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,17,19,21)(H2,18,20,22)"	CC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC=C(C=C2)C	LBGSTDNBOJSFJU-UHFFFAOYSA-N
DG61336	"9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-methyl-"	4297981	"NSC683787; NSC-683787; 9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683787	.	.	.	.	297.3	C19H11N3O	55.7	495	3.2	23	0	4	0	"InChI=1S/C19H11N3O/c1-10-9-13-11-5-2-3-7-14(11)22-18-15(13)17(21-10)16-12(19(18)23)6-4-8-20-16/h2-9H,1H3"	CC1=CC2=C3C(=N1)C4=C(C=CC=N4)C(=O)C3=NC5=CC=CC=C52	JUDGTRUZCMXJMA-UHFFFAOYSA-N
DG61337	"N-benzyl-6-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)hexan-1-amine"	4303691	NCI60_001250; Neuro_000095; CHEMBL1964839; ZINC1640056; NSC164017; NSC-164017	.	.	Investigative Drug(s)	Investigative	Small molecular drug	164017	.	.	.	.	435.6	C30H33N3	29.8	587	6.7	33	1	2	9	"InChI=1S/C30H33N3/c1-22-27-21-32-18-16-25(27)23(2)30-29(22)26-14-8-9-15-28(26)33(30)19-11-4-3-10-17-31-20-24-12-6-5-7-13-24/h5-9,12-16,18,21,31H,3-4,10-11,17,19-20H2,1-2H3"	CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CCCCCCNCC5=CC=CC=C5)C	ZPNJDNPXOOBYAA-UHFFFAOYSA-N
DG61338	5-nitro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol	4316336	NSC649167; CHEMBL1990907; ZINC6471932; AKOS000588406; MCULE-5317866369; NSC-649167; NCI60_017160	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649167	.	.	.	.	327.25	C14H9N5O5	152	511	3.5	24	2	7	2	"InChI=1S/C14H9N5O5/c20-14-13(11-7-10(19(23)24)5-6-12(11)15-14)17-16-8-1-3-9(4-2-8)18(21)22/h1-7,15,20H"	C1=CC(=CC=C1N=NC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O)[N+](=O)[O-]	WEFZNDAKTMXLJH-UHFFFAOYSA-N
DG61339	"3-(3,4-dimethoxyphenyl)-10-hexanoyl-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one"	4329630	"GNF-Pf-5533; 3-(3,4-dimethoxyphenyl)-10-hexanoyl-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one; CHEMBL533563; CHEMBL4743914; MMV085583; NSC766426; STK134773; STL043528; AKOS001637322; AKOS005696859; MCULE-5171532492; NSC-766426; SR-01000473331; SR-01000473331-1; 1-{3-(3,4-dimethoxyphenyl)-1-hydroxy-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766426	.	.	.	.	592.6	C34H35F3N2O4	67.9	1010	6.9	43	1	8	8	"InChI=1S/C34H35F3N2O4/c1-4-5-6-11-31(41)39-27-10-8-7-9-25(27)38-26-18-23(22-14-17-29(42-2)30(20-22)43-3)19-28(40)32(26)33(39)21-12-15-24(16-13-21)34(35,36)37/h7-10,12-17,20,23,33,38H,4-6,11,18-19H2,1-3H3"	CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C41)C5=CC=C(C=C5)C(F)(F)F	RSEZBMBZLDGGCL-UHFFFAOYSA-N
DG61340	"Thiourea,N''-(4,5-dimethyl-1,2-phenylene)bis[N-phenyl-"	4329919	"NSC176392; CHEMBL1967809; ZINC5552504; AKOS024430253; MCULE-7684773737; NSC-176392; NCI60_001458; Thiourea,N''-(4,5-dimethyl-1,2-phenylene)bis[N-phenyl-; 1,1'-(4,5-dimethyl-1,2-phenylene)bis(3-phenyl-2-thiourea)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176392	.	.	.	.	406.6	C22H22N4S2	112	469	5	28	4	2	4	"InChI=1S/C22H22N4S2/c1-15-13-19(25-21(27)23-17-9-5-3-6-10-17)20(14-16(15)2)26-22(28)24-18-11-7-4-8-12-18/h3-14H,1-2H3,(H2,23,25,27)(H2,24,26,28)"	CC1=CC(=C(C=C1C)NC(=S)NC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3	VQAAMPPTIUBDBG-UHFFFAOYSA-N
DG61341	"ethyl 3,5-dinitro-2-(7H-purin-6-ylsulfanyl)benzoate"	4331266	"MLS002702947; SMR001566761; 59921-59-4; Benzoic acid, 3,5-dinitro-2-(1H-purin-6-ylthio)-, ethyl ester; ethyl 3,5-dinitro-2-(7H-purin-6-ylsulfanyl)benzoate; NCI60_001955; CHEMBL1705093; BDBM80069; cid_4331266; DTXSID50402015; NSC244714; ZINC17059234; NSC-244714; DS-011013; ethyl 3,5-dinitro-2-(5H-purin-6-ylsulfanyl)benzoate; 3,5-dinitro-2-(7H-purin-6-ylthio)benzoic acid ethyl ester; Benzoic acid,5-dinitro-2-(1H-purin-6-ylthio)-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	244714	.	.	.	.	390.33	C14H10N6O6S	198	585	2.4	27	1	10	5	"InChI=1S/C14H10N6O6S/c1-2-26-14(21)8-3-7(19(22)23)4-9(20(24)25)11(8)27-13-10-12(16-5-15-10)17-6-18-13/h3-6H,2H2,1H3,(H,15,16,17,18)"	CCOC(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])SC2=NC=NC3=C2NC=N3	IPWMNOSWXXOIJR-UHFFFAOYSA-N
DG61342	NSC82892	4348193	"Methyl 23-(dimethylamino)-4,8,22,24-tetrahydroxy-1,12,21-trimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,10,12,14,18-octaene-13-carboxylate; Nogalamycin compound B; NSC82892; Compound B from Nogalamycin; NOGALAMYCIN, COMPOUND B; NSC-82892; CHEMBL1974122; SCHEMBL12530621; NCI60_041817; methyl dimethylamino-tetrahydroxy-trimethyl-dioxo-[ ]carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82892	.	.	.	.	563.6	C30H29NO10	163	1110	2.8	41	4	11	3	"InChI=1S/C30H29NO10/c1-11-7-8-12-13(17(11)28(38)39-6)9-14-18(22(12)33)24(35)19-16(32)10-15-25(20(19)23(14)34)40-30(3)27(37)21(31(4)5)26(36)29(15,2)41-30/h7-10,21,26-27,32-33,36-37H,1-6H3"	CC1=C(C2=CC3=C(C(=C2C=C1)O)C(=O)C4=C(C=C5C(=C4C3=O)OC6(C(C(C(C5(O6)C)O)N(C)C)O)C)O)C(=O)OC	OBRZWGUUEBAZNK-UHFFFAOYSA-N
DG61343	"Inosine, 2',3',5'-tris(4-methoxybenzoate)"	4351018	"NSC76519; CHEMBL1979832; NSC-76519; NCI60_041687; Inosine, 2',3',5'-tris(4-methoxybenzoate); 9H-Purine-6-thiol, 2',3',5'-tri-p-anisate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76519	.	.	.	.	686.7	C34H30N4O10S	190	1200	5.5	49	1	12	14	"InChI=1S/C34H30N4O10S/c1-42-22-10-4-19(5-11-22)32(39)45-16-25-27(47-33(40)20-6-12-23(43-2)13-7-20)28(48-34(41)21-8-14-24(44-3)15-9-21)31(46-25)38-18-37-26-29(38)35-17-36-30(26)49/h4-15,17-18,25,27-28,31H,16H2,1-3H3,(H,35,36,49)"	COC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)OC(=O)C5=CC=C(C=C5)OC)OC(=O)C6=CC=C(C=C6)OC	KIAHXIQVYYIAET-UHFFFAOYSA-N
DG61344	"5-(4-Hydroxy-3-nitro-phenyl)-1,2-dihydro-1,2,4-triazole-3-thione"	4359419	"NSC635563; NCIMech_000095; CHEMBL1976647; ZINC6471197; CCG-35257; NSC-635563; NCI60_011875; 5-(4-hydroxy-3-nitro-phenyl)-1,2-dihydro-1,2,4-triazole-3-thione; 5-(4-Hydroxy-3-(hydroxy(oxido)amino)phenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635563	.	.	.	.	238.23	C8H6N4O3S	135	354	1.5	16	3	4	1	"InChI=1S/C8H6N4O3S/c13-6-2-1-4(3-5(6)12(14)15)7-9-8(16)11-10-7/h1-3,13H,(H2,9,10,11,16)"	C1=CC(=C(C=C1C2=NC(=S)NN2)[N+](=O)[O-])O	LMAMJUUHEQCDSQ-UHFFFAOYSA-N
DG61345	"N-[2-[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]acetamide"	4365483	"NSC692739; SCHEMBL6204957; CHEMBL1998046; NSC-692739; N-[2-[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]acetamide; NCI60_033266; 3-[[5-(acetylamino)indol-2-yl]carbonyl]-1-(chloromethyl)-5-nitro-1,2-dihydro-3H-benz[e]indole; N-(2-((1-(Chloromethyl)-5-(hydroxy(oxido)amino)-1,2-dihydro-3H-benzo[e]indol-3-yl)carbonyl)-1H-indol-5-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692739	.	.	.	.	462.9	C24H19ClN4O4	111	791	4.1	33	2	4	3	"InChI=1S/C24H19ClN4O4/c1-13(30)26-16-6-7-19-14(8-16)9-20(27-19)24(31)28-12-15(11-25)23-18-5-3-2-4-17(18)21(29(32)33)10-22(23)28/h2-10,15,27H,11-12H2,1H3,(H,26,30)"	CC(=O)NC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)[N+](=O)[O-])CCl	GPRXWDOJSMVDHQ-UHFFFAOYSA-N
DG61346	"4,6-Dideoxy-4-[[[(14-methyl-1-oxopentadecyl)amino]acetyl]amino]-N-1H-purin-6-YL-beta-L-glucopyranosylamine"	4366047	"MLS002703040; NSC268251; 67642-36-8; 4,6-DIDEOXY-4-[[[(14-METHYL-1-OXOPENTADECYL)AMINO]ACETYL]AMINO]-N-1H-PURIN-6-YL-.BETA.-L-GLUCOPYRANOSYLAMINE; NCI60_002171; CHEMBL1735419; DTXSID50402419; NSC-268251; SMR001566848; .beta.-L-Glucopyranosylamine,6-dideoxy-4-[[[(14-methyl-1-oxopentadecyl)amino]acetyl]amino]-N-1H-purin-6-yl-; N-[2-[[4,5-dihydroxy-2-methyl-6-(9H-purin-6-ylamino)tetrahydropyran-3-yl]amino]-2-oxo-ethyl]-14-methyl-pentadecanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	268251	.	.	.	.	575.7	C29H49N7O5	174	776	5.2	41	6	9	18	"InChI=1S/C29H49N7O5/c1-19(2)14-12-10-8-6-4-5-7-9-11-13-15-21(37)30-16-22(38)35-23-20(3)41-29(26(40)25(23)39)36-28-24-27(32-17-31-24)33-18-34-28/h17-20,23,25-26,29,39-40H,4-16H2,1-3H3,(H,30,37)(H,35,38)(H2,31,32,33,34,36)"	CC1C(C(C(C(O1)NC2=NC=NC3=C2NC=N3)O)O)NC(=O)CNC(=O)CCCCCCCCCCCCC(C)C	VCEWFFSOGKSWLL-UHFFFAOYSA-N
DG61347	"Purine, 2-amino-6-[5-bromo-2-(methylthio)-4-pyrimidinylthio]-"	4393482	"68498-46-4; Purine, 2-amino-6-[5-bromo-2-(methylthio)-4-pyrimidinylthio]-; DTXSID70402799; NSC51562; ZINC8615338; NSC-51562"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51562	.	.	.	.	370.3	C10H8BrN7S2	157	339	2.3	20	2	8	3	"InChI=1S/C10H8BrN7S2/c1-19-10-13-2-4(11)7(18-10)20-8-5-6(15-3-14-5)16-9(12)17-8/h2-3H,1H3,(H3,12,14,15,16,17)"	CSC1=NC=C(C(=N1)SC2=NC(=NC3=C2NC=N3)N)Br	OOYRDBYHTIMSRB-UHFFFAOYSA-N
DG61348	"N~2~-butyl-N~4~,N~6~-di-tert-butyl-1,3,5-triazine-2,4,6-triamine"	4400747	"GNF-Pf-14; CHEMBL534283; MMV665864; NSC766780; STK053773; AKOS003671779; NSC-766780; N~2~-butyl-N~4~,N~6~-di-tert-butyl-1,3,5-triazine-2,4,6-triamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766780	.	.	.	.	294.44	C15H30N6	74.8	270	4.1	21	3	6	8	"InChI=1S/C15H30N6/c1-8-9-10-16-11-17-12(20-14(2,3)4)19-13(18-11)21-15(5,6)7/h8-10H2,1-7H3,(H3,16,17,18,19,20,21)"	CCCCNC1=NC(=NC(=N1)NC(C)(C)C)NC(C)(C)C	MNGKSEZZXHVVJO-UHFFFAOYSA-N
DG61349	"[3,4-Diacetyloxy-5-[3-(carbamothioyldiazenyl)-2-hydroxy-6-nitroindol-1-yl]oxolan-2-yl]methyl acetate"	4402219	NSC649175; CHEMBL2006112; NSC-649175; NCI60_017168	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649175	.	.	.	.	523.5	C20H21N5O10S	242	929	1.4	36	2	12	9	"InChI=1S/C20H21N5O10S/c1-8(26)32-7-14-16(33-9(2)27)17(34-10(3)28)19(35-14)24-13-6-11(25(30)31)4-5-12(13)15(18(24)29)22-23-20(21)36/h4-6,14,16-17,19,29H,7H2,1-3H3,(H2,21,36)"	CC(=O)OCC1C(C(C(O1)N2C3=C(C=CC(=C3)[N+](=O)[O-])C(=C2O)N=NC(=S)N)OC(=O)C)OC(=O)C	VGPBERPSAYQYDW-UHFFFAOYSA-N
DG61350	(1-methyl-1H-benzimidazol-2-yl)(naphthalen-1-yl)methanone	4411107	GNF-Pf-5189; CHEMBL577445; MMV665824; NSC766807; STK081311; AKOS005392020; MCULE-3970273500; NSC-766807; (1-methyl-1H-benzimidazol-2-yl)(naphthalen-1-yl)methanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766807	.	.	.	.	286.3	C19H14N2O	34.9	424	4.4	22	0	2	2	"InChI=1S/C19H14N2O/c1-21-17-12-5-4-11-16(17)20-19(21)18(22)15-10-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3"	CN1C2=CC=CC=C2N=C1C(=O)C3=CC=CC4=CC=CC=C43	IRYFDSQLAQPRJR-UHFFFAOYSA-N
DG61351	3-[(3-nitropyridin-2-yl)diazenyl]-1H-indol-2-ol	4418979	NSC602069; CHEMBL1972672; ZINC8652595; NSC-602069; NCI60_004548	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602069	.	.	.	.	283.24	C13H9N5O3	119	413	2.9	21	2	6	2	"InChI=1S/C13H9N5O3/c19-13-11(8-4-1-2-5-9(8)15-13)16-17-12-10(18(20)21)6-3-7-14-12/h1-7,15,19H"	C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=C(C=CC=N3)[N+](=O)[O-]	ZGNFWOTUFNTVRI-UHFFFAOYSA-N
DG61352	"1,4-Diamino-5-nitroanthraquinone"	4421615	"Disperse Violet 8; 1,4-Diamino-5-nitroanthraquinone; 82-33-7; Nitrocresolamine; Celliton Violet B; Perliton Violet B; Celliton Fast Violet B; Palanil Violet 3B; Disperse Violet 2S; Vonteryl Violet 2B; Cilla Fast Violet B; Dianix Fast Violet B; Fenacet Fast Violet B; Miketon Fast Violet B; Serisol Fast Violet B; Supracet Fast Violet B; Kayalon Fast Violet BR; Violet 2S; 9,10-Anthracenedione, 1,4-diamino-5-nitro-; Diacelliton Fast Violet B; C.I. DISPERSE VIOLET 8; Samaron Brilliant Violet B; Duranol Brilliant Violet BR; Celliton Fast Violet BA-CF; Cibacet Brilliant Violet 3B; Terasil Brilliant Violet 3B; 1,4-diamino-5-nitroanthracene-9,10-dione; 5-Nitro-1,4-diaminoanthraquinone; Duranol Brilliant Blue Violet BR; Solvent Red 218; C.I. 62030; NSC 81260; Anthraquinone, 1,4-diamino-5-nitro-; UNII-184185N98V; 82347-07-7; 184185N98V; CCRIS 5612; EINECS 201-412-5; BRN 2223102; 1,4-Diamino-5-nitro-9,10-anthracenedione; 4-14-00-00478 (Beilstein Handbook Reference); 9, 1,4-diamino-5-nitro-; SCHEMBL2205543; DTXSID9058868; Anthraquinone,4-diamino-5-nitro-; NSC81260; ZINC4533438; 2731AC; NSC-81260; AKOS003616806; MCULE-7629218232; WLN: L C666 BV IVJ DZ GZ KNW; T552; T803; C.I.62030; 1,4-Diamino-5-nitroanthra-9,10-quinone #; FT-0625340; W1002; W-109296; Q27251966"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	81260	.	.	.	.	283.24	C14H9N3O4	132	489	2.4	21	2	6	0	"InChI=1S/C14H9N3O4/c15-7-4-5-8(16)12-11(7)13(18)6-2-1-3-9(17(20)21)10(6)14(12)19/h1-5H,15-16H2"	C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)N)N	SDICTISQCKLMEB-UHFFFAOYSA-N
DG61353	"2-nitro-N-(1-phenyl-9H-pyrido[3,4-b]indol-8-yl)benzamide"	4435439	NSC622919; CHEMBL1996336; ZINC12952990; NSC-622919; NCI60_006778	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622919	.	.	.	.	408.4	C24H16N4O3	104	662	4.6	31	2	4	3	"InChI=1S/C24H16N4O3/c29-24(18-9-4-5-12-20(18)28(30)31)26-19-11-6-10-16-17-13-14-25-21(23(17)27-22(16)19)15-7-2-1-3-8-15/h1-14,27H,(H,26,29)"	C1=CC=C(C=C1)C2=NC=CC3=C2NC4=C3C=CC=C4NC(=O)C5=CC=CC=C5[N+](=O)[O-]	AHKQFRJCCPDNGG-UHFFFAOYSA-N
DG61354	"methyl N-(5-propoxy-1,3-benzothiazol-2-yl)carbamate"	4450833	ZINC5431826; NSC764933; AKOS024362929; MCULE-2842451962; NSC-764933	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764933	.	.	.	.	266.32	C12H14N2O3S	88.7	291	3.2	18	1	5	5	"InChI=1S/C12H14N2O3S/c1-3-6-17-8-4-5-10-9(7-8)13-11(18-10)14-12(15)16-2/h4-5,7H,3,6H2,1-2H3,(H,13,14,15)"	CCCOC1=CC2=C(C=C1)SC(=N2)NC(=O)OC	QJZXSKCKYCCMTR-UHFFFAOYSA-N
DG61355	4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide	4532204	MLS000766132; T3Inh-1; 50440-30-7; 4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide; SMR000528620; NSC146771; CHEMBL1389109; SCHEMBL19124864; BDBM55876; cid_4532204; DTXSID80403999; HMS2860I06; ZINC5103461; NSC-146771; HY-125961; CS-0103577; 4-(6-nitroquinolin-4-ylamino)-N-(4-(pyridin-4-yl-amino)phenyl)benzamide; 4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide; 4-[(6-nitro-4-quinolyl)amino]-N-[4-(4-pyridylamino)phenyl]benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	146771	.	.	.	.	476.5	C27H20N6O3	125	726	4.9	36	3	7	6	"InChI=1S/C27H20N6O3/c34-27(32-21-7-5-19(6-8-21)30-22-11-14-28-15-12-22)18-1-3-20(4-2-18)31-26-13-16-29-25-10-9-23(33(35)36)17-24(25)26/h1-17H,(H,28,30)(H,29,31)(H,32,34)"	C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)NC3=CC=NC=C3)NC4=C5C=C(C=CC5=NC=C4)[N+](=O)[O-]	KUBNLSZSAIOAMS-UHFFFAOYSA-N
DG61356	"9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(3-pyridinyl)-"	4532977	"SCHEMBL22144875; NSC694493; NSC-694493; 9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(3-pyridinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694493	.	.	.	.	360.4	C23H12N4O	68.6	611	3.4	28	0	5	1	InChI=1S/C23H12N4O/c28-23-15-7-4-10-25-20(15)21-19-16(11-18(27-21)13-5-3-9-24-12-13)14-6-1-2-8-17(14)26-22(19)23/h1-12H	C1=CC=C2C(=C1)C3=CC(=NC4=C3C(=N2)C(=O)C5=C4N=CC=C5)C6=CN=CC=C6	VYDZVARVVUHCDM-UHFFFAOYSA-N
DG61357	"Ethyl 5-methyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate"	4554414	"ethyl 5-methyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; NSC716569; CHEMBL1981747; STK001367; AKOS005374284; MCULE-9817453961; NSC-716569; NCI60_040311"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716569	.	.	.	.	338.5	C16H22N2O2S2	111	430	4.4	22	2	4	6	"InChI=1S/C16H22N2O2S2/c1-4-8-17-16(21)18-14-13(15(19)20-5-2)11-9-10(3)6-7-12(11)22-14/h4,10H,1,5-9H2,2-3H3,(H2,17,18,21)"	CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=S)NCC=C	SCWYJDAEMXVVCL-UHFFFAOYSA-N
DG61358	"9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-phenyl-"	4567749	"SCHEMBL22144874; NSC686553; NSC-686553; 9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686553	.	.	.	.	359.4	C24H13N3O	55.7	603	4.5	28	0	4	1	InChI=1S/C24H13N3O/c28-24-16-10-6-12-25-21(16)22-20-17(13-19(27-22)14-7-2-1-3-8-14)15-9-4-5-11-18(15)26-23(20)24/h1-13H	C1=CC=C(C=C1)C2=NC3=C4C(=C2)C5=CC=CC=C5N=C4C(=O)C6=C3N=CC=C6	SCELGDCLQFOOPV-UHFFFAOYSA-N
DG61359	"N-Phenyl-3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	4575187	"Oprea1_009750; Oprea1_399441; CHEMBL3759839; SCHEMBL22542446; ZINC2388563; NSC771559; AKOS003260493; MCULE-2970648486; NSC-771559; EU-0008256; SR-01000463546; SR-01000463546-1; 3-amino-2-phenylcarbamoyl-5,6,7,8-tetrahydrothieno-[2,3-b]quinoline; N-Phenyl-3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771559	.	.	.	.	323.4	C18H17N3OS	96.2	440	4.5	23	2	4	2	"InChI=1S/C18H17N3OS/c19-15-13-10-11-6-4-5-9-14(11)21-18(13)23-16(15)17(22)20-12-7-2-1-3-8-12/h1-3,7-8,10H,4-6,9,19H2,(H,20,22)"	C1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)NC4=CC=CC=C4)N	JRZBGFHJUKMXIK-UHFFFAOYSA-N
DG61360	(6-(6-mercapto-9H-purin-9-yl)tetrahydro-2H-pyran-2-yl)methanol	4581572	NSC43409; MLS000737080; NSC-43409; CHEMBL1440349; HMS2769N15; NCI60_004005; SMR000394034; (6-(6-mercapto-9H-purin-9-yl)tetrahydro-2H-pyran-2-yl)methanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43409	.	.	.	.	266.32	C11H14N4O2S	104	365	-0.3	18	2	4	2	"InChI=1S/C11H14N4O2S/c16-4-7-2-1-3-8(17-7)15-6-14-9-10(15)12-5-13-11(9)18/h5-8,16H,1-4H2,(H,12,13,18)"	C1CC(OC(C1)N2C=NC3=C2NC=NC3=S)CO	FLWMUHPQPQKPMV-UHFFFAOYSA-N
DG61361	4-(2-Tert-butylhydrazino)-5-nitro-2-phenyl-pyridazin-3-one	4585482	NSC641820; CHEMBL1981902; NSC-641820; NCI60_014130; 4-(2-tert-butylhydrazino)-5-nitro-2-phenyl-pyridazin-3-one; 4-(2-tert-Butylhydrazino)-5-(hydroxy(oxido)amino)-2-phenyl-3(2H)-pyridazinone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641820	.	.	.	.	303.32	C14H17N5O3	103	510	3.1	22	2	6	4	"InChI=1S/C14H17N5O3/c1-14(2,3)17-16-12-11(19(21)22)9-15-18(13(12)20)10-7-5-4-6-8-10/h4-9,16-17H,1-3H3"	CC(C)(C)NNC1=C(C=NN(C1=O)C2=CC=CC=C2)[N+](=O)[O-]	BKTPFPYSXRTFDI-UHFFFAOYSA-N
DG61362	"9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(2-pyridinyl)-"	4595742	"CHEMBL4742969; SCHEMBL22144873; NSC686554; NSC-686554; 9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(2-pyridinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686554	.	.	.	.	360.4	C23H12N4O	68.6	611	3.5	28	0	5	1	InChI=1S/C23H12N4O/c28-23-14-7-5-11-25-20(14)21-19-15(12-18(27-21)17-9-3-4-10-24-17)13-6-1-2-8-16(13)26-22(19)23/h1-12H	C1=CC=C2C(=C1)C3=CC(=NC4=C3C(=N2)C(=O)C5=C4N=CC=C5)C6=CC=CC=N6	ABYZQLNEHFFRNI-UHFFFAOYSA-N
DG61363	4-bromo-N'-butylbenzohydrazide	4596836	"537672-41-6; UF010; 4-bromo-N'-butylbenzohydrazide; UF 010; UF-010; SR-01000010887; CHEMBL4303643; SCHEMBL17141661; AOB5396; EX-A917; BDBM163619; BCP16853; ZINC2711885; MFCD03603083; NSC773315; s5810; AKOS002177817; CS-5227; MCULE-2200281997; NSC-773315; AS-16889; HY-18976; UF010, >=98% (HPLC); FT-0700325; N10903; A918047; J-690316; SR-01000010887-1; SR-01000010887-2; F1232-0727; 2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]-N-methylbenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773315	.	.	.	.	271.15	C11H15BrN2O	41.1	191	2.9	15	2	2	5	"InChI=1S/C11H15BrN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,14,15)"	CCCCNNC(=O)C1=CC=C(C=C1)Br	BVQCFCYPFJOOAV-UHFFFAOYSA-N
DG61364	"2,4-Diamino-5-(4-methylamino-3-nitrophenyl)-6-ethylpyrimidine"	4602007	"CHEMBL310062; 118344-67-5; NSC382034; Neuro_000219; SCHEMBL8588709; DTXSID10404757; ZINC5479493; BDBM50405809; NSC-382034; NCI60_003642; 2, 6-ethyl-5-[4-(methylamino)- 3-nitrophenyl]-; 2,4-Diamino-5-(4-methylamino-3-nitrophenyl)-6-ethylpyrimidine; 2,4-Diamino-6-ethyl-5-(3-nitro-4-(methylamino)phenyl)pyrimidine; 6-Ethyl-5-(4-(methylamino)-3-nitrophenyl)pyrimidine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382034	.	.	.	.	288.31	C13H16N6O2	136	363	2.2	21	3	7	3	"InChI=1S/C13H16N6O2/c1-3-8-11(12(14)18-13(15)17-8)7-4-5-9(16-2)10(6-7)19(20)21/h4-6,16H,3H2,1-2H3,(H4,14,15,17,18)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NC)[N+](=O)[O-]	UEBWOKUSTFIFOC-UHFFFAOYSA-N
DG61365	"[(3-cyanothiophen-2-yl)carbamoyl]methyl 3-(2,3-dihydro-1H-indole-1-sulfonyl)benzoate"	4603586	"ZINC9664354; NSC743402; AKOS033637276; MCULE-2257747447; NSC-743402; Z18701173; [(3-cyanothiophen-2-yl)carbamoyl]methyl 3-(2,3-dihydro-1H-indole-1-sulfonyl)benzoate; 805306-56-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743402	.	.	.	.	467.5	C22H17N3O5S2	153	865	3.7	32	1	8	7	"InChI=1S/C22H17N3O5S2/c23-13-17-9-11-31-21(17)24-20(26)14-30-22(27)16-5-3-6-18(12-16)32(28,29)25-10-8-15-4-1-2-7-19(15)25/h1-7,9,11-12H,8,10,14H2,(H,24,26)"	C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NC4=C(C=CS4)C#N	WMQPNIKYHUHYQK-UHFFFAOYSA-N
DG61366	"Benzenesulfonamide, p-[[(2-aminopurin-6-yl)thio]azo]-"	4642645	"NSC77502; NSC-77502; Benzenesulfonamide, p-[[(2-aminopurin-6-yl)thio]azo]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	77502	.	.	.	.	350.4	C11H10N8O2S2	199	531	0.9	23	3	10	4	"InChI=1S/C11H10N8O2S2/c12-11-16-9-8(14-5-15-9)10(17-11)22-19-18-6-1-3-7(4-2-6)23(13,20)21/h1-5H,(H2,13,20,21)(H3,12,14,15,16,17)"	C1=CC(=CC=C1N=NSC2=NC(=NC3=C2NC=N3)N)S(=O)(=O)N	UGWIMXFQSCFSHQ-UHFFFAOYSA-N
DG61367	"2-Amino-6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile"	4659623	CHEMBL3410019; NSC735025; NSC-735025	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735025	.	.	.	.	334.4	C19H18N4O2	86.1	493	2.8	25	1	5	4	"InChI=1S/C19H18N4O2/c1-23-8-4-5-16(23)13-10-15(22-19(21)14(13)11-20)12-6-7-17(24-2)18(9-12)25-3/h4-10H,1-3H3,(H2,21,22)"	CN1C=CC=C1C2=CC(=NC(=C2C#N)N)C3=CC(=C(C=C3)OC)OC	BSZLZWCFWCRNPY-UHFFFAOYSA-N
DG61368	2-[(4-Ethylbenzyl)amino]-1-phenylethanol	4720996	2-[(4-ethylbenzyl)amino]-1-phenylethanol; CHEMBL1197850; NSC766808; STK294264; AKOS000284532; MCULE-1072508609; NSC-766808; NCGC00273804-02; AB01258627-03; AN-465/42886383	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766808	.	.	.	.	255.35	C17H21NO	32.299	229	2.9	19	2	2	6	"InChI=1S/C17H21NO/c1-2-14-8-10-15(11-9-14)12-18-13-17(19)16-6-4-3-5-7-16/h3-11,17-19H,2,12-13H2,1H3"	CCC1=CC=C(C=C1)CNCC(C2=CC=CC=C2)O	RVPGAQKKCJHKJX-UHFFFAOYSA-N
DG61369	"6-{2-[(4-ethoxyphenyl)amino]-1,3-thiazol-4-yl}-3,4-dihydro-2H-1,4-benzoxazin-3-one"	4784054	"ZINC5156825; NSC745813; AKOS034401582; MCULE-1053890161; NSC-745813; Z48861686; 6-{2-[(4-ethoxyphenyl)amino]-1,3-thiazol-4-yl}-3,4-dihydro-2H-1,4-benzoxazin-3-one; 852704-14-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745813	.	.	.	.	367.4	C19H17N3O3S	101	487	3.8	26	2	6	5	"InChI=1S/C19H17N3O3S/c1-2-24-14-6-4-13(5-7-14)20-19-22-16(11-26-19)12-3-8-17-15(9-12)21-18(23)10-25-17/h3-9,11H,2,10H2,1H3,(H,20,22)(H,21,23)"	CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC4=C(C=C3)OCC(=O)N4	SDJLGERYFCLGOP-UHFFFAOYSA-N
DG61370	"6-Amino-5-{2-[(4-iodophenyl)amino]acetyl}-1-propyl-1,2,3,4-tetrahydropyrimidine-2,4-dione"	4806509	"NSC746351; ZINC33471420; AKOS034435620; MCULE-7791217319; NSC-746351; Z52868488; 6-amino-5-{2-[(4-iodophenyl)amino]acetyl}-1-propyl-1,2,3,4-tetrahydropyrimidine-2,4-dione; 849054-78-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746351	.	.	.	.	428.22	C15H17IN4O3	105	527	2.4	23	3	5	6	"InChI=1S/C15H17IN4O3/c1-2-7-20-13(17)12(14(22)19-15(20)23)11(21)8-18-10-5-3-9(16)4-6-10/h3-6,18H,2,7-8,17H2,1H3,(H,19,22,23)"	CCCN1C(=C(C(=O)NC1=O)C(=O)CNC2=CC=C(C=C2)I)N	GRJMBYQHYGVQRV-UHFFFAOYSA-N
DG61371	"[(4-ethylphenyl)carbamoyl]methyl 2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitrobenzoate"	4853660	"ZINC9663367; NSC743408; AKOS033924154; MCULE-4500256379; NSC-743408; Z24759926; [(4-ethylphenyl)carbamoyl]methyl 2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitrobenzoate; 848580-91-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743408	.	.	.	.	442.5	C19H18N6O5S	170	642	3.3	31	1	9	8	"InChI=1S/C19H18N6O5S/c1-3-12-4-6-13(7-5-12)20-17(26)11-30-18(27)15-10-14(25(28)29)8-9-16(15)31-19-21-22-23-24(19)2/h4-10H,3,11H2,1-2H3,(H,20,26)"	CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C	UNFLXUQOQCPFDD-UHFFFAOYSA-N
DG61372	"3-amino-N-(2-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	4900454	"835908-70-8; CHEMBL3132938; ZINC5243340; NSC771556; STK788900; AKOS002210338; MCULE-6500225947; NSC-771556; Z234893411; 3-amino-N-(2-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; 3-amino-N-(2-methoxyphenyl)-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771556	.	.	.	.	367.4	C19H17N3O3S	123	560	3.4	26	2	6	3	"InChI=1S/C19H17N3O3S/c1-25-15-8-3-2-5-13(15)21-18(24)17-16(20)11-9-10-12(22-19(11)26-17)6-4-7-14(10)23/h2-3,5,8-9H,4,6-7,20H2,1H3,(H,21,24)"	COC1=CC=CC=C1NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N	ZPSSDAWROKAQLF-UHFFFAOYSA-N
DG61373	"3-amino-N-(2,3-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	4905445	"3-amino-N-(2,3-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; CHEMBL3132939; ZINC4775498; NSC772496; STK207906; AKOS002210366; MCULE-7311532088; NSC-772496; 835908-38-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772496	.	.	.	.	406.3	C18H13Cl2N3O2S	113	581	4.6	26	2	5	2	"InChI=1S/C18H13Cl2N3O2S/c19-10-3-1-5-12(14(10)20)22-17(25)16-15(21)9-7-8-11(23-18(9)26-16)4-2-6-13(8)24/h1,3,5,7H,2,4,6,21H2,(H,22,25)"	C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=C(C(=CC=C4)Cl)Cl)N)C(=O)C1	UNNJYEOXRMZAJU-UHFFFAOYSA-N
DG61374	"3-amino-N-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	4906437	"CHEMBL3132937; ZINC5271448; NSC771557; STK580569; AKOS005504253; MCULE-5529854530; NSC-771557; 3-amino-N-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; 799831-56-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771557	.	.	.	.	355.4	C18H14FN3O2S	113	548	3.5	25	2	6	2	"InChI=1S/C18H14FN3O2S/c19-9-3-1-4-10(7-9)21-17(24)16-15(20)12-8-11-13(22-18(12)25-16)5-2-6-14(11)23/h1,3-4,7-8H,2,5-6,20H2,(H,21,24)"	C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC(=CC=C4)F)N)C(=O)C1	BFMAPEOBBINCDN-UHFFFAOYSA-N
DG61375	"3-amino-N-(2-chlorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	4908054	"CHEMBL3132936; ZINC5305762; NSC771558; STK788901; AKOS002210392; MCULE-9879889712; NSC-771558; 3-amino-N-(2-chlorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide; 799838-35-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771558	.	.	.	.	371.8	C18H14ClN3O2S	113	548	4	25	2	5	2	"InChI=1S/C18H14ClN3O2S/c19-11-4-1-2-5-13(11)21-17(24)16-15(20)10-8-9-12(22-18(10)25-16)6-3-7-14(9)23/h1-2,4-5,8H,3,6-7,20H2,(H,21,24)"	C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC=CC=C4Cl)N)C(=O)C1	RQVKPYOGSVGSSP-UHFFFAOYSA-N
DG61376	"Ethyl 6,7-difluoro-3-methylquinoxaline-2-carboxylate 1,4-dioxide"	4918469	"ZINC4693899; NSC725536; STK684329; AKOS005598438; NSC-725536; 1,7-difluor-2-ethoxycarbonyl-3-methylquinoxaline; 2-ethoxycarbonyl-6,7-difluoro-3-methylquinoxaline 1,4-dioxide; ethyl 6,7-difluoro-3-methylquinoxaline-2-carboxylate 1,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725536	.	.	.	.	284.22	C12H10F2N2O4	72.7	468	1	20	0	7	3	"InChI=1S/C12H10F2N2O4/c1-3-20-12(17)11-6(2)15(18)9-4-7(13)8(14)5-10(9)16(11)19/h4-5H,3H2,1-2H3"	CCOC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)F)F)[O-])C	DFZJKQVNUNPEIT-UHFFFAOYSA-N
DG61377	"7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole"	4982876	"84458-52-6; 7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole; SCHEMBL3712726; SCHEMBL13742802; DTXSID90407226; ZINC5464412; NSC348402; NSC-348402; DS-009439; 9H-PURINE,6-[(7-NITRO-2,1,3-BENZOXADIAZOL-4-YL)THIO]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	348402	.	.	.	.	315.27	C11H5N7O3S	165	438	1.6	22	1	9	2	"InChI=1S/C11H5N7O3S/c19-18(20)5-1-2-6(8-7(5)16-21-17-8)22-11-9-10(13-3-12-9)14-4-15-11/h1-4H,(H,12,13,14,15)"	C1=C(C2=NON=C2C(=C1)SC3=NC=NC4=C3NC=N4)[N+](=O)[O-]	WPEZIZWVHZBGSL-UHFFFAOYSA-N
DG61378	"benzyl N-(2,4,5-trichlorophenyl)carbamodithioate"	4985501	NSC290977; CHEMBL1974306; ZINC6575153; NSC-290977	.	.	Investigative Drug(s)	Investigative	Small molecular drug	290977	.	.	.	.	362.7	C14H10Cl3NS2	69.4	324	6	20	1	2	4	"InChI=1S/C14H10Cl3NS2/c15-10-6-12(17)13(7-11(10)16)18-14(19)20-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)"	C1=CC=C(C=C1)CSC(=S)NC2=CC(=C(C=C2Cl)Cl)Cl	RQQYSBGUTQWHEE-UHFFFAOYSA-N
DG61379	1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion	4989771	NSC619156; SBB061767; CHEMBL1971057; DTXSID80407295; ZINC5427307; AKOS025117029; NSC-619156; 79071-33-3; NCI60_005693; 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619156	.	.	.	.	294.4	C17H14N2OS	64.4	459	4	21	1	3	3	"InChI=1S/C17H14N2OS/c1-12-15(16(20)13-8-4-2-5-9-13)17(21)19(18-12)14-10-6-3-7-11-14/h2-11,18H,1H3"	CC1=C(C(=S)N(N1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3	VVEFMYLKFYPUOX-UHFFFAOYSA-N
DG61380	"9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 3-(acetoxymethyl)-"	4998422	"NSC694488; NSC-694488; 9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 3-(acetoxymethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694488	.	.	.	.	355.3	C21H13N3O3	82	612	2.5	27	0	6	3	"InChI=1S/C21H13N3O3/c1-11(25)27-10-12-9-23-19-17-16(12)13-5-2-3-7-15(13)24-20(17)21(26)14-6-4-8-22-18(14)19/h2-9H,10H2,1H3"	CC(=O)OCC1=CN=C2C3=C1C4=CC=CC=C4N=C3C(=O)C5=C2N=CC=C5	CGADRZKENIJAJE-UHFFFAOYSA-N
DG61381	"7H-Pyrido[3, 2-(3-chloro-phenyl)-5,6-dihydro-4-phenyl-"	4998423	"NSC684481; CHEMBL281736; NSC-684481; NCI60_030374; 7H-Pyrido[3, 2-(3-chloro- phenyl)-5,6-dihydro-4-phenyl-; 2-(3-Chlorophenyl)-4-phenyl-1,7-diaza-5H-dibenzo[a,c]cycloheptene-6(7H)-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684481	.	.	.	.	412.9	C25H17ClN2S	57	577	5.9	29	1	2	2	"InChI=1S/C25H17ClN2S/c26-18-10-6-9-17(13-18)23-14-20(16-7-2-1-3-8-16)21-15-24(29)27-22-12-5-4-11-19(22)25(21)28-23/h1-14H,15H2,(H,27,29)"	C1C2=C(C3=CC=CC=C3NC1=S)N=C(C=C2C4=CC=CC=C4)C5=CC(=CC=C5)Cl	JKBPDRHLIWKTFH-UHFFFAOYSA-N
DG61382	Naringenin trimethyl ether	5003667	"Naringenin trimethyl ether; 38302-15-7; 5,7-Dimethoxy-2-(4-methoxyphenyl)chroman-4-one; 5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one; 5,7,4'-Trimethoxyflavanone; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-2-(4-methoxyphenyl)-; Oprea1_436908; 4',5,7-Trimethoxyflavanone; 5, 4' Trimethoxy Flavanone; CHEMBL483550; SCHEMBL4826267; LMPK12140596; NSC735006; AKOS022184617; NSC-735006; 4',5,7-trimethoxyflavanone, AldrichCPR; 66074-95-1; XN161726; DB-118250; W1578"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735006	.	.	.	.	314.3	C18H18O5	54	404	2.8	23	0	5	4	"InChI=1S/C18H18O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-9,15H,10H2,1-3H3"	COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC)OC	MQFSCAHSIUPLSB-UHFFFAOYSA-N
DG61383	Alsterpaullone	5005498	"alsterpaullone; 237430-03-4; 9-Nitropaullone; NSC 705701; 7,12-Dihydro-9-nitroindolo[3,2-d][1]benzazepin-6(5H)-one; NSC-705701; CHEMBL50894; MLS002702475; 9-nitro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one; 9-Nitro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one; MFCD02683579; 9-nitro-7,12-dihydroindolo(3,2-d)(1)benzazepin-6(5H)-one; 9-Nitro-7,12-dihydroindolo-[3,2-d][1]benzazepin-6(5)-one; 7,12-dihydro-9-nitro-indolo[3,2-d][1]benzazepin-6(5H)-one; Paullone Analog 1; Kinome_3754; 1q3w; 6-hydrazinylpicolinicacid; S0354; Alsterpaullone derivative, 2; CBiol_001723; Lopac0_000057; BDBM7262; GTPL5925; SCHEMBL2170104; BDBM84528; ZINC23894; DTXSID50407444; CHEBI:138488; Bio1_000009; Bio1_000498; Bio1_000987; HMS2043P15; HMS3229A10; AOB33710; BCP33241; EX-A4771; HSCI1_000007; NSC705701; AKOS015889626; AKOS037435220; CCG-206812; DB04014; NCGC00390459-03; Alsterpaullone, >=98% (HPLC), powder; BS-16272; NCI60_037671; SMR001566036; HY-108359; 9-Nitro-7,2-d][1]benzazepin-6(5H)-one; CS-0028454; D81786; J-015199; BRD-K17516382-001-01-7; BRD-K17516382-001-02-5; Q27074414; 9-Nitro-7,12-Dihydroindolo-[3,2-d][1]Benzazepin-6(5H)-one; 9-Nitropaullone; NSC 705701; NSC705701; NSC-705701; 14-nitro-8,18-diazatetracyclo[9.7.0.0({2,7}).0({12,17})]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one; 14-nitro-8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one; 14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12,14,16-heptaen-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705701	.	.	.	.	293.28	C16H11N3O3	90.7	478	2.4	22	2	3	0	"InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)"	C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)[N+](=O)[O-]	OLUKILHGKRVDCT-UHFFFAOYSA-N
DG61384	N-[(Anilinothiocarbamoylamino)thiocarbamoyl]benzamide	5033540	33949-90-5; N-[(ANILINOTHIOCARBAMOYLAMINO)THIOCARBAMOYL]BENZAMIDE; NSC176373; DTXSID70407668; NSC-176373; DS-011835	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176373	.	.	.	.	345.4	C15H15N5OS2	141	420	3.8	23	5	4	3	"InChI=1S/C15H15N5OS2/c21-13(11-7-3-1-4-8-11)16-14(22)18-20-15(23)19-17-12-9-5-2-6-10-12/h1-10,17H,(H2,19,20,23)(H2,16,18,21,22)"	C1=CC=C(C=C1)C(=O)NC(=S)NNC(=S)NNC2=CC=CC=C2	ZTFNMEHZZJOPIV-UHFFFAOYSA-N
DG61385	"Guanosine,3',5'-tripropanoate"	5035970	"KC 1275; 42558-88-3; Guanosine,3',5'-tripropanoate; DTXSID90407680; NSC77556; NSC-77556; 9H-Purine-6-thiol, 2',3',5'-tripropionate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	77556	.	.	.	.	467.5	C19H25N5O7S	188	794	0.5	32	2	9	11	"InChI=1S/C19H25N5O7S/c1-4-10(25)28-7-9-14(30-11(26)5-2)15(31-12(27)6-3)18(29-9)24-8-21-13-16(24)22-19(20)23-17(13)32/h8-9,14-15,18H,4-7H2,1-3H3,(H3,20,22,23,32)"	CCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=S)N)OC(=O)CC)OC(=O)CC	YCMCIJGOJJFDEN-UHFFFAOYSA-N
DG61386	"4,5,6,7-Tetrachloro-1,3-dihydrobenzimidazole-2-thione"	5041204	"NSC142480; 18392-42-2; CHEMBL1968749; DTXSID70407704; ZINC1726825; NSC-142480; NCI60_000929; DS-005131; 4,5,6,7-tetrachloro-1,3-dihydrobenzoimidazole-2-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	142480	.	.	.	.	288	C7H2Cl4N2S	56.2	240	3.7	14	2	1	0	"InChI=1S/C7H2Cl4N2S/c8-1-2(9)4(11)6-5(3(1)10)12-7(14)13-6/h(H2,12,13,14)"	C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)NC(=S)N2	DUYKSYCMKGVVTR-UHFFFAOYSA-N
DG61387	"N,N',N''-tris(1-benzylpiperidin-4-yl)benzene-1,3,5-tricarboxamide"	5051873	"TCMDC-124568; CHEMBL546799; MMV019881; NSC766734; STK423236; ZINC49626586; AKOS003280670; MCULE-4911344910; NSC-766734; N,N',N''-tris(1-benzylpiperidin-4-yl)benzene-1,3,5-tricarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766734	.	.	.	.	726.9	C45H54N6O3	97	1000	6	54	3	6	12	"InChI=1S/C45H54N6O3/c52-43(46-40-16-22-49(23-17-40)31-34-10-4-1-5-11-34)37-28-38(44(53)47-41-18-24-50(25-19-41)32-35-12-6-2-7-13-35)30-39(29-37)45(54)48-42-20-26-51(27-21-42)33-36-14-8-3-9-15-36/h1-15,28-30,40-42H,16-27,31-33H2,(H,46,52)(H,47,53)(H,48,54)"	C1CN(CCC1NC(=O)C2=CC(=CC(=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C(=O)NC5CCN(CC5)CC6=CC=CC=C6)CC7=CC=CC=C7	WJUOPSPFQSXVSK-UHFFFAOYSA-N
DG61388	"N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide"	5081913	"IMD-0354; 978-62-1; IMD 0354; IKK-2 Inhibitor V; N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide; IMD0354; N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide; TCMDC-125465; UNII-76145IS906; CHEMBL536151; MFCD00218820; 76145IS906; Benzamide, N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxy-; Benzamide, N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-; N-(3,5-Bis-trifluoromethylphenyl)-5-chloro-2-hydroxybenzamide; IKK2 Inhibitor V; IKK-2-inhibitor-V; Kinome_1864; C15H8ClF6NO2; MLS006011200; SCHEMBL129165; CHEBI:93310; AOB5931; DTXSID50243248; HMS3229F11; HMS3269F13; HMS3413J21; HMS3651D21; HMS3677J21; BCP22358; ZINC3986227; 2473AH; BDBM50430160; NSC800773; s2864; AKOS017344958; BCP9000777; CCG-268447; CS-4922; NSC-800773; SB19541; 3',5'-Salicyloxylidide, 5-chloro-alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-; NCGC00165811-01; NCGC00165811-02; NCGC00165811-03; NCGC00165811-06; AC-32886; AS-71319; HY-10172; SMR004702969; BCP0726000026; IMD-0354, >=98% (HPLC), solid; SW219746-1; C77350; A900175; BRD-K74305673-001-01-3; Q27165022; 5-Chloro-2-hydroxy-N-[3,5-bis(trifluoromethyl)phenyl]benzamide; 5-chloro-2-hydroxy-N-[3,5-bis(trifluoromethyl)phenyl]-benzamide; N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-benzamide; 634914-41-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800773	.	.	.	.	383.67	C15H8ClF6NO2	49.3	462	6.2	25	2	8	2	"InChI=1S/C15H8ClF6NO2/c16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25)"	C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O	CHILCFMQWMQVAL-UHFFFAOYSA-N
DG61389	"7-Nitro-2-[4-(7-nitro-3-oxo-4,9-dihydrofuro[3,2-b]quinoxalin-2-yl)phenyl]-4,9-dihydrofuro[3,2-b]quinoxalin-3-one"	5086250	NSC372295; NSC-372295; NCI60_003456	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372295	.	.	.	.	540.4	C26H16N6O8	192	1110	4.7	40	4	12	2	"InChI=1S/C26H16N6O8/c33-21-19-25(29-17-9-13(31(35)36)5-7-15(17)27-19)39-23(21)11-1-2-12(4-3-11)24-22(34)20-26(40-24)30-18-10-14(32(37)38)6-8-16(18)28-20/h1-10,23-24,27-30H"	C1=CC(=CC=C1C2C(=O)C3=C(O2)NC4=C(N3)C=CC(=C4)[N+](=O)[O-])C5C(=O)C6=C(O5)NC7=C(N6)C=CC(=C7)[N+](=O)[O-]	LFAVZZKNQFFBAI-UHFFFAOYSA-N
DG61390	N-[2-(diethylamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide	5110746	NSC699142; CHEMBL1994903; NSC-699142; NCI60_035488	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699142	.	.	.	.	462.5	C24H26N6O4	139	742	3.6	34	4	5	8	"InChI=1S/C24H26N6O4/c1-3-29(4-2)10-9-25-23(31)21-13-15-11-17(5-7-19(15)27-21)26-24(32)22-14-16-12-18(30(33)34)6-8-20(16)28-22/h5-8,11-14,27-28H,3-4,9-10H2,1-2H3,(H,25,31)(H,26,32)"	CCN(CC)CCNC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)[N+](=O)[O-]	MUCCJOIIZBIVEE-UHFFFAOYSA-N
DG61391	"7-Methyl-6-nitro-6a,11b-dihydrobenzo[c]carbazole-1,4-diol"	5132626	NSC704288; CHEMBL1969997; NSC-704288; NCI60_037229	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704288	.	.	.	.	310.3	C17H14N2O4	89.5	531	2.8	23	2	5	0	"InChI=1S/C17H14N2O4/c1-18-11-5-3-2-4-9(11)16-15-10(13(20)6-7-14(15)21)8-12(17(16)18)19(22)23/h2-8,16-17,20-21H,1H3"	CN1C2C(C3=CC=CC=C31)C4=C(C=CC(=C4C=C2[N+](=O)[O-])O)O	FBORASWGOQAZHS-UHFFFAOYSA-N
DG61392	"7-Methyl-12-methylidene-3,6,10,15-tetraoxapentacyclo[12.2.1.02,4.05,7.09,13]heptadec-1(17)-ene-11,16-dione"	5140086	"MLS002695234; 17928-61-9; NSC94037; SMR001561143; 7-Methyl-12-methylidene-3,6,10,15-tetraoxapentacyclo[12.2.1.02,4.05,7.09,13]heptadec-1(17)-ene-11,16-dione; CHEMBL1978882; BDBM94064; cid_5140086; DTXSID90939198; NSC-94037; 10a-Methyl-7-methylideneoctahydro-4H-6,3-(metheno)furo[3,2-c]bisoxireno[f,h]oxacycloundecine-4,8(6H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	94037	.	.	.	.	290.27	C15H14O6	77.7	636	0.2	21	0	6	0	"InChI=1S/C15H14O6/c1-5-9-7-3-6(14(17)18-7)10-11(20-10)12-15(2,21-12)4-8(9)19-13(5)16/h3,7-12H,1,4H2,2H3"	CC12CC3C(C4C=C(C5C(C1O2)O5)C(=O)O4)C(=C)C(=O)O3	JRZGAAFGODYEEA-UHFFFAOYSA-N
DG61393	1-(2-Methoxy-6-nitroacridin-9-yl)-2-(4-nitrophenyl)hydrazine	5142005	"NSC689874; MLS002702395; CHEMBL1715342; 1-(2-methoxy-6-nitroacridin-9-yl)-2-(4-nitrophenyl)hydrazine; NSC-689874; NCI60_032325; SMR001565957; 9-Acridine, 9-[(4-nitrophenyl)hydrazino]-2-methoxy- 6-nitro-; 1-(2-methoxy-6-nitro-acridin-9-yl)-2-(4-nitrophenyl)hydrazine; 6-(Hydroxy(oxido)amino)-9-(2-(4-(hydroxy(oxido)amino)phenyl)hydrazino)-2-methoxyacridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689874	.	.	.	.	405.4	C20H15N5O5	138	618	5	30	2	8	4	"InChI=1S/C20H15N5O5/c1-30-15-7-9-18-17(11-15)20(16-8-6-14(25(28)29)10-19(16)21-18)23-22-12-2-4-13(5-3-12)24(26)27/h2-11,22H,1H3,(H,21,23)"	COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NNC4=CC=C(C=C4)[N+](=O)[O-]	LLXIGXZMMNBPFW-UHFFFAOYSA-N
DG61394	4-Amino-5-nitro-9H-fluoren-9-one	5144559	NSC625171; 4-Amino-5-nitro-9H-fluoren-9-one; CHEMBL1972378; 4-amino-5-nitro-fluoren-9-one; ZINC5615905; AKOS024406260; MCULE-7943064121; NSC-625171; 54147-67-0; NCI60_007744; 4-Amino-5-(hydroxy(oxido)amino)-9H-fluoren-9-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625171	.	.	.	.	240.21	C13H8N2O3	88.9	379	2.2	18	1	4	0	"InChI=1S/C13H8N2O3/c14-9-5-1-3-7-11(9)12-8(13(7)16)4-2-6-10(12)15(17)18/h1-6H,14H2"	C1=CC2=C(C(=C1)N)C3=C(C2=O)C=CC=C3[N+](=O)[O-]	BKGQKTNQMGETSA-UHFFFAOYSA-N
DG61395	"Diethyl 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate"	5158191	"GNF-Pf-3904; diethyl 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate; CHEMBL606159; ZINC2796839; MMV006656; NSC766751; STK327103; AKOS002105491; MCULE-4683231686; NSC-766751; SR-01000587672; SR-01000587672-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766751	.	.	.	.	468.3	C21H26BrNO6	74.3	613	3.7	29	0	7	10	"InChI=1S/C21H26BrNO6/c1-6-27-19-16(22)9-13(10-17(19)26-5)18-14(20(24)28-7-2)11-23(4)12-15(18)21(25)29-8-3/h9-12,18H,6-8H2,1-5H3"	CCOC1=C(C=C(C=C1Br)C2C(=CN(C=C2C(=O)OCC)C)C(=O)OCC)OC	FBKIPJLWVIZHGV-UHFFFAOYSA-N
DG61396	(E)-N'-(5-chloro-2-oxoindolin-3-ylidene)-4-methylbenzohydrazide (9)	5158729	CHEMBL4451791; BDBM152495; BDBM50502167; NSC730874; AKOS003885395; NSC-730874; (E)-N'-(5-chloro-2-oxoindolin-3-ylidene)-4- methylbenzohydrazide (9)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730874	.	.	.	.	313.74	C16H12ClN3O2	77.8	437	4.7	22	2	3	2	"InChI=1S/C16H12ClN3O2/c1-9-2-4-10(5-3-9)15(21)20-19-14-12-8-11(17)6-7-13(12)18-16(14)22/h2-8,18,22H,1H3"	CC1=CC=C(C=C1)C(=O)N=NC2=C(NC3=C2C=C(C=C3)Cl)O	FHDWMXXPZLCKMY-UHFFFAOYSA-N
DG61397	"N-{3-[7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl}acetamide"	5164236	"N-{3-[7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl}acetamide; Oprea1_451220; Oprea1_457282; CHEMBL1253829; NSC745693; STL487843; AKOS000807816; AKOS016290391; MCULE-7876109486; NSC-745693; EU-0078904; SR-01000497568; SR-01000497568-1; Z56175890; 442865-69-2; N-{3-[7-(3,4,5-trimethoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl}acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745693	.	.	.	.	421.4	C22H23N5O4	99.5	648	2.8	31	2	7	6	"InChI=1S/C22H23N5O4/c1-13(28)25-16-7-5-6-14(8-16)17-11-18(27-22(26-17)23-12-24-27)15-9-19(29-2)21(31-4)20(10-15)30-3/h5-12,18H,1-4H3,(H,25,28)(H,23,24,26)"	CC(=O)NC1=CC=CC(=C1)C2=CC(N3C(=NC=N3)N2)C4=CC(=C(C(=C4)OC)OC)OC	VMSJHPMZOGNWCG-UHFFFAOYSA-N
DG61398	"4-Quinolinecarboxylic acid, 2-(4-cyclohexylphenyl)-6-fluoro-3-methyl-"	5167181	"CHEMBL39396; 96187-26-7; 2-(4-cyclohexylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid; 4-Quinolinecarboxylic acid, 2-(4-cyclohexylphenyl)-6-fluoro-3-methyl-; SCHEMBL9788765; DTXSID10409085; ZINC1578570; BDBM50284864; NSC339768; NSC-339768; 2-(4-cyclohexylphenyl)-6-fluoro3-methylquinoline-4-carboxylic acid; 3-Methyl-6-fluoro-2-(4-cyclohexylphenyl)-4-quinolinecarboxylic acid; 2-(4-Cyclohexyl-phenyl)-6-fluoro-3-methyl-quinoline-4-carboxylic acid; 2-(4-cyclohexylphenyl)-6-fluoro-3-methyl -4-quinolinecarboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339768	.	.	.	.	363.4	C23H22FNO2	50.2	513	6.4	27	1	4	3	"InChI=1S/C23H22FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,26,27)"	CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4CCCCC4)C(=O)O	GBGDJTGJJQHTCJ-UHFFFAOYSA-N
DG61399	"1,5-g]quinolin-8(5H)-thione, 6-[3-(dimethylamino)phenyl]-"	5168079	"NSC700270; CHEMBL1980544; NSC-700270; NCI60_035992; 1,5-g]quinolin-8(5H)-thione, 6-[3-(dimethylamino)phenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700270	.	.	.	.	324.4	C18H16N2O2S	65.8	507	3.7	23	1	5	2	"InChI=1S/C18H16N2O2S/c1-20(2)12-5-3-4-11(6-12)14-9-18(23)13-7-16-17(22-10-21-16)8-15(13)19-14/h3-9H,10H2,1-2H3,(H,19,23)"	CN(C)C1=CC=CC(=C1)C2=CC(=S)C3=CC4=C(C=C3N2)OCO4	JLLTZPCYQCHFNV-UHFFFAOYSA-N
DG61400	"6-nitro-7,11b-dihydro-6aH-benzo[c]carbazole-1,4-diol"	5177983	NSC704287; CHEMBL1990226; NSC-704287; NCI60_037228	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704287	.	.	.	.	296.28	C16H12N2O4	98.3	503	2.6	22	3	5	0	"InChI=1S/C16H12N2O4/c19-12-5-6-13(20)14-9(12)7-11(18(21)22)16-15(14)8-3-1-2-4-10(8)17-16/h1-7,15-17,19-20H"	C1=CC=C2C(=C1)C3C(N2)C(=CC4=C(C=CC(=C34)O)O)[N+](=O)[O-]	OHDZKMKDJDZEMK-UHFFFAOYSA-N
DG61401	N-[2-(diethylamino)ethyl]-5-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide	5184308	NSC699144; CHEMBL2000002; NSC-699144; NCI60_035490	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699144	.	.	.	.	620.7	C33H32N8O5	184	1120	4.9	46	6	6	10	"InChI=1S/C33H32N8O5/c1-3-40(4-2)12-11-34-31(42)28-16-19-13-22(5-8-25(19)37-28)35-32(43)29-17-20-14-23(6-9-26(20)38-29)36-33(44)30-18-21-15-24(41(45)46)7-10-27(21)39-30/h5-10,13-18,37-39H,3-4,11-12H2,1-2H3,(H,34,42)(H,35,43)(H,36,44)"	CCN(CC)CCNC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=C(N5)C=CC(=C6)[N+](=O)[O-]	PRFQKPYVMNLKAM-UHFFFAOYSA-N
DG61402	"(2,3,8,9-tetramethoxy-5,6-dimethyl-6H-benzo[c]phenanthridin-11-yl) acetate"	5191582	"93772-18-0; NCI60_003591; CHEMBL1996809; DTXSID30409325; NSC379965; (2,3,8,9-tetramethoxy-5,6-dimethyl-6H-benzo[c]phenanthridin-11-yl) acetate; NSC-379965"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	379965	.	.	.	.	437.5	C25H27NO6	66.5	660	4.5	32	0	7	6	"InChI=1S/C25H27NO6/c1-13-16-10-20(29-5)22(31-7)12-18(16)24-23(32-14(2)27)9-15-8-19(28-4)21(30-6)11-17(15)25(24)26(13)3/h8-13H,1-7H3"	CC1C2=CC(=C(C=C2C3=C(N1C)C4=CC(=C(C=C4C=C3OC(=O)C)OC)OC)OC)OC	XJWYPZIESLCUIY-UHFFFAOYSA-N
DG61403	"1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione"	5201346	"5-Hydroxymethyl-2'-deoxyuridine; 5116-24-5; 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione; 5-Hydroxymethyl-2-deoxyuridine; SCHEMBL13273333; SCHEMBL20133527; NSC749425; NSC-749425; DB-051910; FT-0635544; 5-Hydroxymethyl-2'-deoxyuridine, >=95% (HPLC)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749425	.	.	.	.	258.23	C10H14N2O6	119	396	-1.9	18	4	6	3	"InChI=1S/C10H14N2O6/c13-3-5-2-12(10(17)11-9(5)16)8-1-6(15)7(4-14)18-8/h2,6-8,13-15H,1,3-4H2,(H,11,16,17)"	C1C(C(OC1N2C=C(C(=O)NC2=O)CO)CO)O	IPAVKOYJGUMINP-UHFFFAOYSA-N
DG61404	Sodium butyrate	5222465	"SODIUM BUTYRATE; 156-54-7; Sodium butanoate; Butyric acid sodium salt; Butanoic acid, sodium salt; Butyric acid, sodium salt; Butyrate sodium; sodium;butanoate; Sodium n-butyrate; Sodium propanecarboxylate; Butanoic acid sodium salt; Butanoic acid, sodium salt (1:1); UNII-8RAS91C36W; Sodium butyrate (USP); Sodium butyrate [USP]; TPA/BA; C4H7NaO2; MFCD00002816; 8RAS91C36W; CHEBI:64103; CHEMBL62381; CCRIS 7068; NSC174280; HSDB 5655; NSC-174280; NCGC00167555-01; EINECS 205-857-6; NSC 174280; sodiumbutyrate; Sodium butyrate, 98%; Tetradecanoyl phorbol acetate/ sodium butyrate; DSSTox_CID_17672; DSSTox_RID_79352; DSSTox_GSID_37672; SCHEMBL30148; DTXSID3037672; HY-B0350A; tetradecanoyl phorbol acetate (TPA)/ sodium butyrate (BA); HMS3650B09; BCP31813; Tox21_112550; s1999; Sodium butyrate, >=98.5% (GC); Sodium butyrate, >=99.0% (GC); AKOS003051490; AKOS015899795; CCG-266046; CS-3924; AS-13929; CAS-156-54-7; FT-0660356; FT-0694101; D08998; AB01274751-01; Sodium butyrate, Vetec(TM) reagent grade, 99%; A921858; Q305004; Sodium butyrate, certified reference material, TraceCERT(R); Sodium butyrate, United States Pharmacopeia (USP) Reference Standard; Sodium butyrate, PharmaGrade, USP/NF, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174280	.	.	.	.	110.09	C4H7NaO2	40.1	53.7	.	7	0	2	2	"InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1"	CCCC(=O)[O-].[Na+]	MFBOGIVSZKQAPD-UHFFFAOYSA-M
DG61405	"Purine, 2-amino-6-[5-bromo-2-(ethylthio)-4-pyrimidinylthio]-"	5228354	"91348-71-9; Purine, 2-amino-6-[5-bromo-2-(ethylthio)-4-pyrimidinylthio]-; DTXSID50411607; NSC52384; ZINC8615349; KC 516; NSC-52384; Purine, 2-amino-6-[[5-bromo-2-(ethylthio)-4-pyrimidinyl]thio]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	52384	.	.	.	.	384.3	C11H10BrN7S2	157	353	2.7	21	2	8	4	"InChI=1S/C11H10BrN7S2/c1-2-20-11-14-3-5(12)8(19-11)21-9-6-7(16-4-15-6)17-10(13)18-9/h3-4H,2H2,1H3,(H3,13,15,16,17,18)"	CCSC1=NC=C(C(=N1)SC2=NC(=NC3=C2NC=N3)N)Br	XEKFXTFUGWUZSY-UHFFFAOYSA-N
DG61406	"Benzamide, 2-nitro-4-((6-nitro-4-quinolinyl)amino)-N-(4-(4-pyridinylamino)phenyl)-"	5236119	"53221-75-3; MLS000756458; Benzamide, 2-nitro-4-((6-nitro-4-quinolinyl)amino)-N-(4-(4-pyridinylamino)phenyl)-; NSC202386; 2-NITRO-4-((6-NITRO-4-QUINOLINYL)AMINO)-N-(4-(PYRIDIN-4-YLAMINO)PHENYL)BENZAMIDE; 2-nitro-4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide; SMR000528741; 2-nitro-4-[(6-nitro-4-quinolyl)amino]-N-[4-(4-pyridylamino)phenyl]benzamide; 2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide; Benzamide, 2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(4-pyridinylamino)phenyl]-; NSC 202386; CHEMBL1372692; SCHEMBL20211618; BDBM50649; cid_5236119; DTXSID50201308; CHEBI:114940; HMS2880G13; ZINC5011932; NSC-202386; NCGC00246957-01; DS-000916; Q27196786"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	202386	.	.	.	.	521.5	C27H19N7O5	171	852	4.7	39	3	9	6	"InChI=1S/C27H19N7O5/c35-27(32-18-3-1-17(2-4-18)30-19-9-12-28-13-10-19)22-7-5-20(15-26(22)34(38)39)31-25-11-14-29-24-8-6-21(33(36)37)16-23(24)25/h1-16H,(H,28,30)(H,29,31)(H,32,35)"	C1=CC(=CC=C1NC2=CC=NC=C2)NC(=O)C3=C(C=C(C=C3)NC4=C5C=C(C=CC5=NC=C4)[N+](=O)[O-])[N+](=O)[O-]	YUOOWNPVFAMPNZ-UHFFFAOYSA-N
DG61407	"[5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-di(hexadecanoyloxy)oxolan-2-yl]methyl hexadecanoate"	5254146	NSC78312; NSC-78312	.	.	Investigative Drug(s)	Investigative	Small molecular drug	78312	.	.	.	.	1014.5	C58H103N5O7S	188	1420	21	71	2	9	50	"InChI=1S/C58H103N5O7S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(64)67-46-48-53(69-50(65)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54(57(68-48)63-47-60-52-55(63)61-58(59)62-56(52)71)70-51(66)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h47-48,53-54,57H,4-46H2,1-3H3,(H3,59,61,62,71)"	CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=S)N)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	WRZLURWOAMZPKG-UHFFFAOYSA-N
DG61408	"1,1'-[Trimethylenebis(nitrilomethylidyne)]bis(2-naphthol)"	5254937	"NSC725604; NSC-725604; 1,1'-[Trimethylenebis(nitrilomethylidyne)]bis(2-naphthol); N,N'-bis(2-hydroxynaphthylmethylidene)-1,3-propanediamine; 1,1'-(1e,1'e)-(propane-1,3-diylbis(azan-1-yl-1-ylidene))bis(methan-1-yl-1-ylidene)dinaphthalen-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725604	.	.	.	.	382.5	C25H22N2O2	65.2	515	4.9	29	2	4	6	"InChI=1S/C25H22N2O2/c28-24-12-10-18-6-1-3-8-20(18)22(24)16-26-14-5-15-27-17-23-21-9-4-2-7-19(21)11-13-25(23)29/h1-4,6-13,16-17,28-29H,5,14-15H2"	C1=CC=C2C(=C1)C=CC(=C2C=NCCCN=CC3=C(C=CC4=CC=CC=C43)O)O	YAZRUOQJRXLLDL-UHFFFAOYSA-N
DG61409	NSC735466	5276681	"2-[5-[4-[2-[(Z)-[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]ethyl]piperazin-1-yl]pentyl]benzo[de]isoquinoline-1,3-dione; CHEMBL181577; NSC735466; NSC-735466; 1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[5-[4-[2-[[(2Z)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2(10H)-phenazinylidene]amino]ethyl]-1-piperazinyl]pentyl]-; 2-[5-[4-[2-[(Z)-[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]ethyl]piperazin-1-yl]pentyl]benzo[de]isoquinoline-1,3-dione; 2[5(4-{2-[3-(4-Chloroanilino)-10-(4-chlorophenyl)-2,3,3a,6-tetrahydro-1H benzo[de]isoquinoline-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735466	.	.	.	.	808.8	C47H43Cl2N7O2	83.8	1560	9.2	58	1	8	12	"InChI=1S/C47H43Cl2N7O2/c48-33-14-18-35(19-15-33)51-41-30-42-44(56(36-20-16-34(49)17-21-36)43-13-3-2-12-39(43)52-42)31-40(41)50-22-25-54-28-26-53(27-29-54)23-4-1-5-24-55-46(57)37-10-6-8-32-9-7-11-38(45(32)37)47(55)58/h2-3,6-21,30-31,51H,1,4-5,22-29H2"	C1CN(CCN1CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CCN=C5C=C6C(=NC7=CC=CC=C7N6C8=CC=C(C=C8)Cl)C=C5NC9=CC=C(C=C9)Cl	BNBFAURKDQRVMX-UHFFFAOYSA-N
DG61410	2-Morpholino-6-(thianthren-1-yl)-4H-pyran-4-one	5278396	"587871-26-9; KU-55933; KU55933; ATM Kinase Inhibitor; 2-Morpholino-6-(thianthren-1-yl)-4H-pyran-4-one; KU 55933; 2-Morpholin-4-yl-6-thianthren-1-ylpyran-4-one; 2-Morpholin-4-yl-6-thianthren-1-yl-pyran-4-one; KU-55933 (ATM Kinase Inhibitor); UNII-O549494L5D; CHEMBL222102; O549494L5D; KU-0064; 2-(4-Morpholinyl)-6-(1-thianthrenyl)-4H-pyran-4-one; 2-morpholino-6-thianthren-1-yl-pyran-4-one; EC-000.1920; GTPL5928; SCHEMBL1984941; 2-Thianthren-1-yl-6-(morpholin-4-yl)-4H-pyran-4-one; CHEBI:91372; 4H-Pyran-4-one, 2-(4-morpholinyl)-6-(1-thianthrenyl)-; DTXSID40207516; EX-A074; SYN1051; BCPP000192; HMS3229A06; HMS3244O07; HMS3244O08; HMS3244P07; HMS3265M15; HMS3265M16; HMS3265N15; HMS3265N16; HMS3413P10; HMS3654E19; HMS3677P10; HMS3743E03; 2-(Methylsulfinyl)phenylboronicacid; AMY42294; BCP01834; ZINC3817388; KU55933 (ATM Kinase Inhibitor); BDBM50208517; MFCD08276985; NSC787962; s1092; AKOS024457675; BCP9000822; BK43330; CCG-206889; CS-0146; NSC-787962; QC-2732; SB19275; NCGC00263190-02; NCGC00263190-13; NCGC00263190-14; AC-23170; AS-19381; HY-12016; KU-55933,KU55933; FT-0707807; SW219818-1; X7425; A20592; F17387; KU-55933, >=98% (HPLC); 2-Thianthren-1-yl-6-morpholin-4-yl-pyran-4-one; 871A269; CU-00000000010-1; J-510125; BRD-K25311561-001-01-6; Q27074594; 2-(morpholin-4-yl)-6-(thianthren-1-yl)-4H-pyran-4-one; UF8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787962	.	.	.	.	395.5	C21H17NO3S2	89.4	643	3.9	27	0	6	2	"InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2"	C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4	XRKYMMUGXMWDAO-UHFFFAOYSA-N
DG61412	Sterigmatocystin	5280389	"STERIGMATOCYSTIN; 10048-13-2; NSC 201423; NSC 204985; UNII-5F95211S5Z; CHEBI:18227; NSC204985; (3aR,12cS)-8-hydroxy-6-methoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one; 5F95211S5Z; 7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6-methoxy-, (3aR,12cS)-; 7H-Furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6-methoxy-, (3aR-cis)-; CCRIS 561; 3a,2':4,5]furo[2,3-c]xanthen-7-one; HSDB 3540; 3a,12c-Dihydro-8-hydroxy-6-methoxy-7H-furo(3',2':4,5)furo(2,3-c)xanthen-7-one; EINECS 233-158-6; WLN: T E6 C6 B655 DO KV PO RO SU&&&TTJ IQ MO1; Sterigmacocystin; 7H-Furo[3',5]furo[2,3-c]xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6-methoxy-; 7H-Furo[3',5]furo[2,3-c]xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6-methoxy-, (3aR-cis)-; 7H-Furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6-methoxy-; 7H-Furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6-methoxy-, (3aR,12cS)-; NCIMech_000632; MLS004257378; SCHEMBL620489; CHEMBL524291; HY-N6725; ZINC5732865; CCG-35887; LMPK10000001; NSC201423; NSC-201423; NSC-204985; (3AR-cis)3a,12c-dihydro-8-hydroxy-6-methoxy-7H-furo(3',2':4,5)furo(2,3-c)xanthen-7-one; 8-Hydroxy-6-methoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one; NCI60_001723; SMR003082510; CS-0034157; C00961; J-000143; Q2777979; (3S,7R)-15-hydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one; 15-Hydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	204985	.	.	.	.	324.3	C18H12O6	74.2	562	3.4	24	1	6	1	"InChI=1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3/t8-,18+/m0/s1"	COC1=C2C(=C3[C@@H]4C=CO[C@@H]4OC3=C1)OC5=CC=CC(=C5C2=O)O	UTSVPXMQSFGQTM-DCXZOGHSSA-N
DG61413	Scopoletin	5280460	"scopoletin; 92-61-5; Gelseminic acid; 7-Hydroxy-6-methoxy-2H-chromen-2-one; 6-Methylesculetin; Chrysatropic acid; 7-Hydroxy-6-methoxycoumarin; Murrayetin; Scopoletine; Scopoletol; Escopoletin; 6-O-Methylesculetin; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; 6-Methoxy-7-hydroxycoumarin; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; 6-Methoxyumbelliferone; Esculetin 6-methyl ether; 7-hydroxy-6-methoxychromen-2-one; Esculetin-6-methyl ether; beta-Methylesculetin; Buxuletin; .beta.-Methylesculetin; UNII-KLF1HS0SXJ; Baogongteng B; COUMARIN, 7-HYDROXY-6-METHOXY-; NSC 405647; KLF1HS0SXJ; 7-hydroxy-6-methoxy-chromen-2-one; MFCD00006872; NSC405647; CHEMBL71851; CHEBI:17488; Gelseminic acid;Chrysatropic acid; TNP00096; NSC-405647; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); Chrysotropic Acid; Acid, Gelseminic; Acid, Chrysotropic; SMR000112541; CCRIS 3592; SR-01000841273; EINECS 202-171-9; BRN 0156296; b-Methylaesculetin; beta -methylesculetin; Scopoletin, >=99%; Prestwick0_000962; Prestwick1_000962; Prestwick2_000962; Prestwick3_000962; Spectrum2_001207; Spectrum3_001532; Spectrum4_001054; Spectrum5_000654; Aesculetin 6-methyl ether; BIDD:PXR0125; BSPBio_000963; BSPBio_002944; KBioGR_001348; 5-18-03-00203 (Beilstein Handbook Reference); 7-hydroxy-6-methoxy-coumarin; MLS002154074; MLS002472878; DivK1c_000720; SCHEMBL147702; SPECTRUM1502242; 7-hydroxy 6-methoxy coumarine; SPBio_000994; SPBio_002884; Scopoletin, analytical standard; BPBio1_001061; MEGxp0_001192; DTXSID0075368; ACon1_000143; HMS502D22; KBio1_000720; KBio3_002444; ZINC57733; NINDS_000720; HMS1571A05; HMS1921N16; HMS2098A05; HMS2268G04; HMS3885K10; ALBB-023369; BCP13342; HY-N0342; 6-methoxy-7-oxidanyl-chromen-2-one; BDBM50156693; CCG-39140; s3881; STL570289; TD8126; AKOS000277133; CS-5791; MCULE-6077230919; CAS-92-61-5; IDI1_000720; 7-hydroxy-6-methoxy-1-benzopyran-2-one; NCGC00016349-01; NCGC00016349-02; NCGC00016349-03; NCGC00016349-04; NCGC00016349-05; NCGC00016349-06; NCGC00016349-07; NCGC00016349-08; NCGC00094973-01; NCGC00094973-02; NCGC00094973-03; AC-34125; AS-65759; NCI60_003834; 7-Hydroxy-6-methoxy-2H-chromen-2-one #; DB-050232; AB00443525; FT-0631451; S0367; C01752; S-2000; 006S872; A844290; Q2472366; SR-01000841273-3; SR-01000841273-4; BRD-K96163925-001-06-5; BRD-K96163925-001-09-9; 0B4B9FAA-686D-4977-AA08-65F8E4F1977C; Scopoletin, United States Pharmacopeia (USP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	405647	.	.	.	.	192.17	C10H8O4	55.8	261	1.5	14	1	4	1	"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3"	COC1=C(C=C2C(=C1)C=CC(=O)O2)O	RODXRVNMMDRFIK-UHFFFAOYSA-N
DG61414	Ayanin	5280682	"Ayanin; 572-32-7; 3,7,4'-Tri-O-methylquercetin; 5,3'-Dihydroxy-3,7,4'-trimethoxyflavone; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxychromen-4-one; UNII-YA465UF3LK; YA465UF3LK; CHEMBL74898; CHEBI:27825; 3',5-Dihydroxy-3,4',7-trimethoxyflavone; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4H-chromen-4-one; 3,7,4'-trimethylquercetin; SCHEMBL1252843; DTXSID20205833; HY-N2913; ZINC6484603; 9106AF; BDBM50064888; LMPK12112762; NSC691652; NSC-691652; 3,5-dihydroxy-3,4',7-trimethoxyflavone; NCI60_032905; CS-0023515; 3'',5-dihydroxy-3,4'',7-trimethoxyflavone; C04444; Q3277926; 4H-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4methoxyphenyl)-3,7-dimethoxy-; 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691652	.	.	.	.	344.3	C18H16O7	94.4	532	3.1	25	2	7	4	"InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3"	COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)O	KPCRYSMUMBNTCK-UHFFFAOYSA-N
DG61415	Cyclosporine	5280754	"cyclosporin A; cyclosporine; Cyclosporine A; Cyclosporin; 59865-13-3; Antibiotic S 7481F1; Ciclosporin A; SR-01000075490; NSC290193; NSC-290193; Sandimmune (TN); Restasis (TN); 83602-39-5; Gengraf (TN); Cyclosporine (USP); Neoral (TN); Ciclosporin (JP17); Spectrum5_001628; SCHEMBL3490; Lopac0_000242; BSPBio_001596; BSPBio_003186; SPECTRUM1502202; CHEMBL386389; SCHEMBL20475023; BDBM86672; CHEBI:91802; HMS502L13; BDBM172718; HMS1791P18; HMS1921L20; HMS1989P18; HMS2092F06; HMS3260B06; HMS3412G21; HMS3676G21; NP444; Pharmakon1600-01502202; (3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone; CAS_2909; NSC_2909; Tox21_500242; CCG-39214; LMPK14000003; NSC758194; STK177328; US9090657, Cyclosporine A, 1; AKOS015895103; LP00242; NSC-758194; IDI1_000871; NCGC00093704-01; NCGC00093704-02; NCGC00093704-03; NCGC00093704-04; NCGC00093704-05; NCGC00093704-06; NCGC00093704-07; NCGC00093704-08; NCGC00093704-09; NCGC00093704-10; NCGC00093704-17; NCGC00093704-35; NCGC00093704-43; NCGC00260927-01; LS-15525; Helv Chim Acta 60: 1568 (1977); 3C152; EU-0100242; C 3662; C05086; D00184; AB00052450_02; A840608; from Tolypocladium inflatum (Trichoderma polysporin); SR-01000075490-1; SR-01000075490-3; SR-01000075490-6; SR-01000075490-7; BRD-A64290322-001-01-6; BRD-A69815203-001-04-3; BRD-A69815203-001-05-0; 30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	290193	.	.	.	.	1202.6	C62H111N11O12	279	2330	7.5	85	5	12	15	"InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+"	CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C	PMATZTZNYRCHOR-IMVLJIQESA-N
DG61416	Phytoene	5280784	"Phytoene; All-trans-Phytoene; 540-04-5; trans-Phytoene; (all-E)-Phytoene; UNII-87E4NJ6N51; 7,7',8,8',11,11',12,12'-Octahydro-psi,psi-carotene; (6E,10E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene; CHEBI:8191; 87E4NJ6N51; NSC378840; 2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene; (all-E) phytoene; trans-Phytoene (Technical grade); (E/Z)-Phytoene; NSC 378840; Phytoene, All-trans-; CHEMBL1988265; CHEBI:26119; DTXSID40202309; (Contain ~30% Cis isomer)''; all-trans-7,7',8,8',11,11',12,12'-octahydro-Lycopene; ZINC8219868; LMPR01070254; NSC-378840; C05413; (E/Z)-Phytoene, mixture of isomers, >=95% (HPLC); Q27107901; 7,7',8,8',11,11',12,12'-octahydro-psi,psi-caro; 7,8,11,12,7',8',11',12'-octahydro-psi,psi-carotene; 7,7',8,8',11,11',12,12'-Octahydro-psi,psi-carotene #; psi,psi-Carotene, 7,7',8,8',11,11',12,12'-octahydro-; .psi.,.psi.-Carotene, 7,7',8,8',11,11',12,12'-octahydro-; Lycopene, 7,7',8,8',11,11',12,12'-octahydro-, all-trans-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	378840	.	.	.	.	544.9	C40H64	0	887	15.3	40	0	0	20	"InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+"	CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\\C)\\C)\\C)/C)/C)/C)C	YVLPJIGOMTXXLP-KEKOKYSKSA-N
DG61417	Rescinnamine	5280954	"rescinnamine; Rescinnamin; Cinnaloid; Resealoid; Scinnamina; Moderil; Rescisan; Cartric; Apoterin; Reserpinine; Cinnasil; Paresinan; Raurescin; Apolon; 24815-24-5; Methyl trimethoxycinnamoylreserpate; Reserpinine (C35 alkaloid); Anaprel; Tsuruselpi S; Rozex; Normorescina; Cinamine; Cinatabs; Raupyrol; Raurescine; Recinnamine; Recitensina; Rescaloid; Rescamin; Rescidan; Rescinpal; Rescitens; Reserpinene; Reskinnamin; Tenamine; Rescin; Resipal; Tuareg; UNII-Q6W1F7DJ2D; Trimethoxy cinnamoyl reserpate de methyl; NSC15628; Q6W1F7DJ2D; CHEBI:28572; 3,4,5-Trimethoxycinnamoyl methyl reserpate; Trimethoxycinnamoyl methyl reserpate; NSC-15628; 3,4,5-Trimethylcinnamoyl methyl reserpate; Rescinamina; Rescinnamina; Rescinnamine (VAN); Rescinnaminum; 3,4,5-Trimethylcinnamic acid, ester with methyl reserpate; Rescinnamina [DCIT]; 3,4,5-Trimethoxycinnamic acid, methyl reserpate; Methyl 18-O-(3,4,5-trimethoxycinnamoyl)reserpate; Methyl reserpate 3,4,5-trimethoxycinnamic acid ester; Rescinamina [INN-Spanish]; Rescinnaminum [INN-Latin]; Resepinine (C35 alkaloid); methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate; CCRIS 4711; Tsuruselpi S (TN); HSDB 2176; EINECS 246-471-8; Rescinnamine (JAN/INN); Reserpic acid methyl ester 3,4,5-trimethoxycinnamate; NSC 15628; Trimethoxy cinnamoyl reserpate de methyl [French]; BRN 0075328; AI3-52763; Rescinnamine [INN:BAN:JAN:NF]; methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-({(2E)-3-[3,4,5-tris(methyloxy)phenyl]prop-2-enoyl}oxy)yohimban-16-carboxylate; Prestwick_558; Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-; Prestwick2_000568; Prestwick3_000568; CHEMBL1668; BSPBio_000356; 11,17alpha-Dimethoxy-18beta-((1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)oxy)-3beta,20alpha-yohimban-16beta-carboxylic acid methyl ester; 3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxycinnamate (ester), (E)-; 4-25-00-01323 (Beilstein Handbook Reference); Methyl 1alpha,2beta,3alpha,4,4aalpha,5,7,8,13,13bbeta,14,14aalpha-dodecahydro-2alpha,11-dimethoxy-3beta-(3,4,5-trimethoxycinnamoyloxy)benz(g)indolo(2,3-a)quinolizine-1beta-carboxylate; MLS002153878; Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-oxy)-, methyl ester, (3beta,16beta,17alpha,18beta(E),20alpha)-; SCHEMBL181966; BPBio1_000392; GTPL7098; MEGxp0_001952; DTXSID3023554; O-(3,4,5-Trimethoxy-trans-cinnamoyl) methyl reserpate; ACon1_002115; CHEBI:92923; HMS1569B18; HMS2096B18; HMS2234E08; ZINC4097185; Methyl 18beta-hydroxy-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylate; 3,5-Trimethoxycinnamoyl methyl reserpate; NCGC00179585-04; 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxycinnamate (ester); 3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxycinnamate (ester); SMR001233232; 3,5-Trimethoxycinnamic acid, methyl reserpate; C06540; D00198; NCGC00179585-04_C35H42N2O9_Cinnaloid; Q409978; BRD-K52930707-001-02-2; BRD-K52930707-001-04-8; 11,17-Dimethoxy-18-[[1-oxo-3-3,4,5-trimethoxyphenyl)-2-propenyl]oxy]-3,20-yohimban-16-carboxylic acid methyl ester; 3.beta., 18.beta.-hydroxy-11,17.alpha.-dimethoxy-, methyl ester, 3,4,5-trimethoxycinnamate (ester); Benz[g]indolo[2, 1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-3-hydroxy-2,11-dimethoxy-, methyl ester, 3,4,5-trimethoxycinnamate; methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate; methyl 11,17alpha-dimethoxy-18beta-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-3beta,20alpha-yohimban-16beta-carboxylate; Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-(((2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-; Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]oxy]-, methyl ester, (3b,16b,17a,18b,20a)-; Yohimban-16-carboxylic acid,17-dimethoxy-18-[[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]oxy]-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-; Yohimban-16-carboxylicacid,11,17-dimethoxy-18-[[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]oxy]-,methyl ester, (3b,16b,17a,18b,20a)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15628	.	.	.	.	634.7	C35H42N2O9	118	1080	4.5	46	1	10	11	"InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1"	CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)/C=C/C6=CC(=C(C(=C6)OC)OC)OC	SZLZWPPUNLXJEA-QEGASFHISA-N
DG61418	Mycophenolate mofetil	5281078	"mycophenolate mofetil; 128794-94-5; CellCept; RS 61443; 115007-34-6; RS-61443; TM-MMF; Myfenax; Mycophenylate mofetil; Mycophenolic acid morpholinoethyl ester; Mycophenolatemofetil; UNII-9242ECW6R0; CHEBI:8764; 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate; Cellcept (TN); 2-Morpholinoethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoate; (E)-2-Morpholinoethyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate; 2-(morpholin-4-yl)ethyl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate; Mycophenolate mofetil (CellCept); 9242ECW6R0; MFCD00867568; NSC-724229; NSC-758905; C23H31NO7; myclausen; Munoloc; RS-61443-190; DSSTox_CID_3340; DSSTox_RID_76982; DSSTox_GSID_23340; 2-morpholinoethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate; 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, 2-(4-morpholinyl)ethyl ester, (E)-; 2-morpholin-4-ylethyl (4E)-6-[4-hydroxy-7-methyl-6-(methyloxy)-3-oxo-1,3-dihydro-2-benzofuran-5-yl]-4-methylhex-4-enoate; 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, 2-(4-morpholinyl)ethyl ester, (4E)-; SMR002544686; MMF CellCept(TM); CAS-128794-94-5; HSDB 7436; ME-MPA; SR-05000001485; Mycophenolate mofetil Teva; Arzip; Mycophenolatmofetil; Mycophenolate mofetil [USAN:USP]; NCGC00159459-02; (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid 2-(4-morpholinyl)ethyl ester; mycophenolate-mofetil; Mofetil mycophenolate; R-99; SCHEMBL4195; CHEMBL1456; MLS003915627; MLS004774133; MLS006011929; SCHEMBL218782; GTPL6831; DTXSID3023340; CHEBI:93612; AOB5505; Mycophenolate mofetil (JAN/USP); HMS2090A03; Pharmakon1600-01504567; 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid 2-(4-morpholinyl)ethyl ester; ACT01993; ALBB-027273; HY-B0199; Tox21_111686; BBL029073; BDBM50248299; NSC724229; NSC758905; s1501; STL146382; ZINC21297660; AKOS005720900; Tox21_111686_1; AC-1562; BCP9000969; CCG-213315; DB00688; KS-1209; NSC 724229; NSC 758905; Mycophenolate mofetil, >=98% (HPLC); NCGC00159459-03; NCGC00159459-04; 2-morpholinoethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate; BM164622; LS-15013; SMR004703518; M2387; SW219893-1; C07908; D00752; J90063; W18801; AB01274794-01; AB01274794-02; AB01274794_03; AB01274794_04; 007M346; A803280; A805863; A888971; J-005626; Mycophenolate mofetil 100 microg/mL in Acetonitrile; Q-101316; Q4567614; SR-05000001485-1; SR-05000001485-2; BRD-K92428153-001-01-0; MYCOPHENOLIC ACID 2-(4-MORPHOLINYL)ETHYL ESTER; Mycophenolate mofetil, European Pharmacopoeia (EP) Reference Standard; Mycophenolate mofetil, United States Pharmacopeia (USP) Reference Standard; Mycophenolate mofetil for peak identification, European Pharmacopoeia (EP) Reference Standard; Mycophenolate Mofetil, Pharmaceutical Secondary Standard; Certified Reference Material; (1s,3r,4s)-2-amino-9-[4-(benzyloxy)-3-(benzyloxymethyl)-2-methylidene-cyclopentyl]-3h-purin-6-one; (E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic Acid 2-(4-Morpholinyl)ethyl Ester; 2-(4-Morpholinyl)ethyl (E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate; 2-morpholin-4-ylethyl (E)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate; 2-Morpholinoethyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate; 4-Hexenoic acid,3-dihydro-4-hydroxy-6-methoxy-7-methyl -3-oxo-5-isobenzofuranyl)-4-methyl-, 2-(4-morpholinyl)ethyl ester, (4E); 6-((7-hydroxy-5-methoxy-4-methyl-1-oxo-3h-isobenzofuran-6-yl))-4-methyl-hex-4-enoic acid 2-morpholinoethyl ester; 6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid 2-(4-morpholinyl)ethyl ester; morpholinoethyl (E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate; Morpholinoethyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)- 4-methylhex-4-enoate; Morpholinoethyl E-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate; Morpholinoethyl E-6-(1,3-dihydro-4-hydroxy-6-methoxy-7methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758905	.	.	.	.	433.5	C23H31NO7	94.5	646	3.2	31	1	8	10	"InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+"	CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\\C)/CCC(=O)OCCN3CCOCC3)O	RTGDFNSFWBGLEC-SYZQJQIISA-N
DG61419	Erucic acid	5281116	"ERUCIC ACID; (Z)-Docos-13-enoic acid; 112-86-7; cis-13-Docosenoic acid; 13-Docosenoic acid, (Z)-; cis-erucic acid; 13-cis-Docosenoic acid; 13-Docosenoic acid; (Z)-13-Docosenoic acid; (13Z)-docos-13-enoic acid; (13Z)-13-Docosenoic acid; 13Z-docosenoic acid; UNII-075441GMF2; CHEBI:28792; Prifrac 2990; Prifac 2990; (13Z)-Docosenoic acid; 13-Docosenoic acid, (13Z)-; C22:1n-9; MFCD00063188; .delta.13-cis-Docosenoic acid; 075441GMF2; 13-Docosenoic acid, (13Z)-, dimer; (Z)-13-docosenoate; 63541-50-4; Hystrene 2290; Z-13-Docosenoic acid; 1072-39-5; delta13-cis-Docosenoic acid; delta13:14-Docosenoic acid; HSDB 5015; NSC 6814; EINECS 204-011-3; NSC6814; Erucasaeure; AI3-18180; cis-eruic acid; 13-docosenoate; cis-13-Docosenoate; Erucic acid, 80%; docos-13c-enoic acid; 22:1omega9; 13(Z)-Docosenoic Acid; Erucic acid, >=99%; delta 13-cis-Docosenoate; delta.13-cis-Docosenoate; DSSTox_CID_6931; (13Z)-13-Docosenoate; SCHEMBL5987; DSSTox_RID_78259; DSSTox_GSID_26931; delta 13-cis-Docosenoic acid; delta.13-cis-Docosenoic acid; Docosenoic acid, 13-(Z)-; cis-Delta(13)-docosenoic acid; CHEMBL1173380; DTXSID8026931; Erucic acid, analytical standard; (13Z)-13-Docosenoic acid #; HMS3649F15; HY-N7109; NSC-6814; ZINC8220981; Tox21_200242; 2227AA; BDBM50463967; LMFA01030089; AKOS015961814; Erucic acid, >=99% (capillary GC); Erucic acid, technical, ~90% (GC); 13-docosenoic acid (ACD/Name 4.0); CCG-267904; NCGC00166073-01; NCGC00166073-02; NCGC00257796-01; CAS-112-86-7; 13-Docosenoic acid, ethyl ester, (13Z)-; CS-0014094; CS-0203830; D0965; S5383; C08316; Q413531; SR-01000946653; SR-01000946653-1; W-108635; 084C86E4-C0FF-45E5-9F1D-09913C9193BE; UNII-44NH37HHP9 component DPUOLQHDNGRHBS-KTKRTIGZSA-N; UNII-MK2D1PBV6N component DPUOLQHDNGRHBS-KTKRTIGZSA-N; UNII-MO7HV04S9Y component DPUOLQHDNGRHBS-KTKRTIGZSA-N; UNII-UDR641JW8W component DPUOLQHDNGRHBS-KTKRTIGZSA-N"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6814	.	.	.	.	338.6	C22H42O2	37.3	284	8.7	24	1	2	19	"InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-"	CCCCCCCC/C=C\\CCCCCCCCCCCC(=O)O	DPUOLQHDNGRHBS-KTKRTIGZSA-N
DG61420	Butein	5281222	"butein; 487-52-5; 2',3,4,4'-Tetrahydroxychalcone; 2',4',3,4-Tetrahydroxychalcone; 3,4,2',4'-Tetrahydroxychalcone; (E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one; UNII-4WVS5M0LGF; 4WVS5M0LGF; CHEBI:3237; CHEMBL128000; (2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one; 21849-70-7; 2 inverted exclamation mark ,3,4,4 inverted exclamation mark -tetrahydroxy Chalcone; 1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one; AC1NQY7L; EINECS 207-659-5; Butein, solid; LAVENDUSTINC; 2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-, (2E)-; Butein, analytical standard; Chalcone, 2',3,4,4'-tetrahydroxy- (7CI,8CI); SCHEMBL139243; CHEBI:92312; Acrylophenone, 2',4'-dihydroxy-3-(3,4-dihydroxyphenyl)-; 3,4,2',4'-Tetrahydroxychalone; 3,4,2'',4''-tetrahydroxychalone; 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-; BDBM50042949; HSCI1_000162; LMPK12120111; NSC652892; s8036; ZINC12428433; AKOS032948361; (E)-2',3,4,4'-terahydroxychalcone; CCG-208298; CS-5675; NSC-652892; NCGC00163519-01; AS-35311; HY-16558; 2',3,4,4'-Tetrahydroxychalcone; Butein; B3803; SW219249-1; W1236; C08578; A871883; SR-05000002316; Q5002498; SR-05000002316-2; BRD-K17497770-001-01-0; 3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phenyl)-propenone; (E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phenyl)-propenone; 2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-; (E)-1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one; 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-, (2E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652892	.	.	.	.	272.25	C15H12O5	98	367	2.8	20	4	5	3	"InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+"	C1=CC(=C(C=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O)O	AYMYWHCQALZEGT-ORCRQEGFSA-N
DG61421	Bruceantin	5281304	"BRUCEANTIN; 41451-75-6; Bruceantine; UNII-S3NW88DI4T; NSC 165563; NSC-165563; S3NW88DI4T; MLS002703020; CHEBI:3188; NSC165563; Picras-3-en-21-oic acid, 15-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta(E))- (9CI); Picras-3-en-21-oic acid,4-dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11.beta.,12.alpha.,15.beta.(E))-; Picras-3-en-21-oic acid,4-dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, [11.beta.,12.alpha.,15.beta.(E)]-; Bruceantin(NSC165563); CHEMBL509895; SCHEMBL16742407; HY-N0840; MFCD00866510; ZINC30726685; C08749; A873054; 2H-3,1-bc]pyran, picras-3-en-21-oic acid deriv.; Q27105979; 2H-3,11c-(Epoxymethano)phenanthro(10,1-bc)pyran, picras-3-en-21-oic acid deriv. (9CI); 2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-21-oic acid deriv; Bruceantin; Picras-3-en-21-oic acid; (11beta,12alpha,15beta)-15-[(3,4-Dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester; methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-[(E)-3,4-dimethylpent-2-enoyl]oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate; Picras-3-en-21-oic acid,4-dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester [11.beta.,12.alpha.,15.beta.(E]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	165563	.	.	.	.	548.6	C28H36O11	166	1200	1.7	39	3	11	6	"InChI=1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,14,16,19-23,31-33H,8-10H2,1-6H3/b12-7+/t14-,16+,19+,20+,21+,22+,23-,26-,27+,28-/m0/s1"	CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\\C)/C(C)C)(OC5)C(=O)OC)O)O)C)O	IRQXZTBHNKVIRL-GOTQHHPNSA-N
DG61422	Cucurbitacin A	5281315	"Cucurbitacin A; 6040-19-3; UNII-83859MTO77; NSC94743; CHEBI:3940; 83859MTO77; [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; NSC 94743; Cucurbitacine A; 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-(hydroxymethyl)-, (2beta,9beta,10alpha,16alpha,23E)-; CHEMBL455518; SCHEMBL10307352; HY-N4175; ZINC4097796; 9169AF; LMST01010103; NSC-94743; CS-0032364; C08793; Q27106258; UNII-W3RWP6CB48 component IHTCCHVMPGDDSL-IVNGUWCNSA-N; 19-Norlanosta-5,11,22-trione, 2,16,20,25-tetrahydroxy-9-(hydroxymethyl)-, 25-acetate; [(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate; 19-Nor-9.beta.,23-diene-3,11,22-trione, 2.beta.,16.alpha.,20,25-tetrahydroxy-9-(hydroxymethyl)-,25-acetate, (E)-; 19-Norlanosta-5,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-(hydroxymethyl)-,(2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-; 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-(hydroxymethyl)-, (2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	94743	.	.	.	.	574.7	C32H46O9	158	1230	2	41	4	9	7	"InChI=1S/C32H46O9/c1-17(34)41-27(2,3)12-11-23(37)31(8,40)25-21(36)14-29(6)22-10-9-18-19(13-20(35)26(39)28(18,4)5)32(22,16-33)24(38)15-30(25,29)7/h9,11-12,19-22,25,33,35-36,40H,10,13-16H2,1-8H3/b12-11+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1"	CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)CO)C)C)O)O	IHTCCHVMPGDDSL-IVNGUWCNSA-N
DG61423	Cucurbitacin D	5281318	"Cucurbitacin D; Elatericin A; 3877-86-9; Elatericine A; Cucurbitacine (D); UNII-5I62H4ORC7; 5I62H4ORC7; CHEBI:3943; NSC308606; 19-Norlanosta-5,23-diene-3,11,22-trione,2,16,20,25-tetrahydroxy-9-methyl-, (2b,9b,10a,16a,23E)-; NSC 308606; NSC 521776; 19-nor-9.beta.,23-diene-3,11,22-trione, 9-methyl-2.beta.,16.alpha.,20,25-tetrahydroxy-; 19-Norlanosta-5,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-; SCHEMBL230654; CHEMBL493646; HY-N1986; ZINC4097799; LMST01010106; NSC521776; AKOS015896755; MCULE-5684742998; NSC-308606; NSC-521776; NCGC00385253-01; 19-Nor-9-beta,10-alpha-lanosta-5,23-diene-3,11,22-trione, 9-methyl-2-beta,16-alpha,20,25-tetrahydroxy-; AS-79683; CS-0018307; C08796; Q15410915; UNII-W3RWP6CB48 component SRPHMISUTWFFKJ-QJNWWGCFSA-N; (23E)-2beta,16alpha,20,25-tetrahydroxy-10alpha-cucurbita-5,23-diene-3,11,22-trione; (23E)-2beta,16alpha,20,25- tetrahydroxy-9beta-methyl-19-nor-10alpha-lanosta-5,23-diene-3,11,22-trione; (2S,4R,23E)-2,16,20,25-tetrahydroxy-9beta,10,14-trimethyl-4,9-cyclo-9,10-seco-16alpha-cholesta-5,23-diene-1,11,22-trione; 19-Norlanosta-5,23-diene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (2beta,9beta,10alpha,16alpha,23E)- (9CI); NCGC00385253-01_C30H44O7_(2S,4R,9beta,16alpha,23E)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,23-diene-1,11,22-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	308606	.	.	.	.	516.7	C30H44O7	132	1100	2.1	37	4	7	4	"InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1"	C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O	SRPHMISUTWFFKJ-QJNWWGCFSA-N
DG61424	Cucurbitacin E	5281319	"Cucurbitacin E; 18444-66-1; alpha-Elaterin; alpha-Elaterine; ELATERIN, ALPHA; UNII-V8A45XYI21; CHEBI:3944; V8A45XYI21; [(E,6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; 19-Norlanosta-1,5,23-triene-3,11,22-trione,25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (9b,10a,16a,23E)-; Cucurbitacine E; .alpha.-Elaterin; .alpha.-Elaterine; Cucurbitacine-E; CUE; NSC 106399; Cucurbitacin-E; NSC106399; 19-Nor-9.beta.,5,23-triene-3,11,22-trione, 2,16.alpha.,20,25-tetrahydroxy-9-methyl-, 25-acetate; 19-Norlanosta-1,23-triene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (9.beta.,10.alpha.,16.alpha.,23E)-; C32H44O8; EINECS 242-325-2; NSC-106399; BRN 2343323; SCHEMBL140616; HY-N0417; ZINC4097800; LMST01010107; MFCD00135936; NSC521775; AKOS015896851; CS-3817; NSC-521775; 19-Norlanosta-1,5,23-triene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (9beta,10alpha,16alpha,23E)-; 2,16alpha,20,25-Tetrahydroxy-9beta-methyl-10alpha,-19-norlanosta-1,5,23(E)-triene-3,11,22-trione 25-acetate; 25-(Acetyloxy)-2,16,20-trihydroxy-9-methyl-19-norlanosta-1,5,23-triene-3,11,22-trione (9beta,10alpha,16alpha,23E)-; AC-34285; AS-76174; N2791; Y0059; C08797; 444C661; A930353; Q5192451; UNII-W3RWP6CB48 component NDYMQXYDSVBNLL-MUYMLXPFSA-N; (23E)-25-acetyloxy-2,16alpha,20-trihydroxy-9beta-methyl-19-nor-10alpha-lanosta-1,5,23-triene-3,11,22-trione; (4R,23E)-2,16alpha,20-trihydroxy-9beta,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-25-yl acetate; 19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 2,16-alpha,20,25-tetrahydroxy-9-methyl-, 25-acetate; 19-Nor-9beta,10alpha-lanosta-1,5,23-triene-3,11,22-trione, 2,16alpha,20,25-tetrahydroxy-9-methyl-, 25-acetate (8CI); 2,16alpha,20,25-tetrahydroxy-9-methyl-19-nor-9beta,10alpha-lanosta-1,5,23-triene-3,11,22-trione 25-acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106399	.	.	.	.	556.7	C32H44O8	138	1270	3.2	40	3	8	6	"InChI=1S/C32H44O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-14,19,21-22,25,34-35,39H,11,15-16H2,1-9H3/b13-12+/t19-,21-,22+,25+,29+,30-,31+,32+/m1/s1"	CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O)C)C)C)O)O	NDYMQXYDSVBNLL-MUYMLXPFSA-N
DG61425	Cucurbitacin I	5281321	"Cucurbitacin I; 2222-07-3; Elatericin B; Cucurbitacine (I); 1,2-Dehydroelatericin A; JSI-124; UNII-SHQ47990PH; CHEBI:3947; SHQ47990PH; (8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione; NSC521777; NSC 521777; NSC-521777; MLS002702902; 19-nor-9.beta.,5,23-triene-3,11,22-trione, 9-methyl-2,16,20,25-tetrahydroxy-; JSI 124; 19-Norlanosta-1,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9.beta.,10.alpha.,16.alpha.)- (VA; EINECS 218-736-8; NSC 112167; CUCURBITACCINE (I); NSC-521777Elatericin B; CHEMBL387737; SCHEMBL2523066; SCHEMBL15914446; DTXSID501015546; HY-N1405; ZINC4097803; LMST01010110; NSC112167; AKOS024456675; CS-5431; NCGC00388208-02; 19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 9-methyl-2,16,20,25-tetrahydroxy-; 19-Norlanosta-1,5,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9beta,10alpha,16alpha)-; 2,16alpha,20,25-Tetrahydroxy-9beta-methyl-10alpha-19-norlanosta-1,5,23(E)-triene-3,11,22-trione; XT170627; Elatericin B; JSI-124; NSC-521777; A4512; C08800; 222C073; Q27106265; (4R,9beta,16alpha,23E)-2,16,20,25-tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene-1,11,22-trione; (8S,9R,10R,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione; (9 ,10 ,16 ,23E)-2,16,20,25-Tetrahydroxy-9-methyl-19-norlanosta-1,5,23-triene-3,11,22-trione; 19-Norlanosta-1,5,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9.beta.,10.alpha.,16.alpha.,23E)-; 19-Norlanosta-1,5,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9beta,10alpha,16alpha)- (VAN) (9CI); 2,16,20,25-Terahydroxycucurbita-1,5,23-triene-3,11,22-trione - Iberis umbellata (candytuft); 28580-39-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112167	.	.	.	.	514.6	C30H42O7	132	1160	2.7	37	4	7	4	"InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1"	C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O	NISPVUDLMHQFRQ-MKIKIEMVSA-N
DG61426	Jatrophone	5281373	"Jatrophone; Jatrophon; Jatropha principle; NSC135037; 29444-03-9; (1R,3R,6Z,9Z)-3,7,11,11,14-pentamethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione; CHEMBL1968481; NSC-135037; Q11723337; 3ab,11-dione, 2,3,7,8-tetrahydro-2a,5,8,8,12-pentamethyl-, (+)-; 3a,11-dione, 2,3,7,8-tetrahydro-2,5,8,8,12-pentamethyl-, [2R-(2R*,3aR*,9E,12Z)]-; 3a.beta.,11-dione, 2,3,7,8-tetrahydro-2.alpha.,5,8,8,12-pentamethyl-, (+)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135037	.	.	.	.	312.4	C20H24O3	43.4	715	3.7	23	0	3	0	"InChI=1S/C20H24O3/c1-12-8-15-9-13(2)16(21)6-7-19(4,5)11-17-14(3)18(22)20(15,10-12)23-17/h6-9,12H,10-11H2,1-5H3/b7-6-,13-9-/t12-,20+/m0/s1"	C[C@@H]1C[C@@]23C(=C1)/C=C(\\C(=O)/C=C\\C(CC(=C(C2=O)C)O3)(C)C)/C	MJNNONLDVCCGCA-NNFBGVLYSA-N
DG61427	Eriolangin	5281445	"ERIOLANGIN; 52617-35-3; CHEBI:4835; NSC182855; [(3aR,4S,7aR)-6-(hydroxymethyl)-5-[(2S)-5-hydroxypentan-2-yl]-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] (Z)-2-methylbut-2-enoate; NSC-182855; C09414; CHEMBL2004232; DTXSID80415118; Q27106499; (Z)-2-Methyl-2-butenoic acid (4S)-2,3,3aalpha,4,7,7aalpha-hexahydro-6-hydroxymethyl-5-[(S)-4-hydroxy-1-methylbutyl]-3-methylene-2-oxobenzofuran-4alpha-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	182855	.	.	.	.	364.4	C20H28O6	93.1	645	1.3	26	2	6	8	"InChI=1S/C20H28O6/c1-5-11(2)19(23)26-18-16(12(3)7-6-8-21)14(10-22)9-15-17(18)13(4)20(24)25-15/h5,12,15,17-18,21-22H,4,6-10H2,1-3H3/b11-5-/t12-,15+,17+,18+/m0/s1"	C/C=C(/C)\\C(=O)O[C@H]1[C@H]2[C@@H](CC(=C1[C@@H](C)CCCO)CO)OC(=O)C2=C	FCDRLRIIZKINNV-WLHXTXINSA-N
DG61428	Euparotin acetate	5281456	"EUPAROTIN ACETATE; Euparotin, acetate; MLS002701953; 10215-89-1; CHEBI:4930; CHEMBL404627; NSC104943; [(3aR,4R,6R,6aR,7R,9aS,9bS)-7-acetyloxy-9a-hydroxy-9-methyl-3-methylidene-2-oxospiro[3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-6,2'-oxirane]-4-yl] (Z)-2-methylbut-2-enoate; AC1NQYHM; DTXSID40415119; NSC-104943; SMR001565535; C09435; Q27106561; (Z)-2-Methyl-2-butenoic acid (3aR,4R,6R,6aR,7R,9aS,9bS)-7-(acetyloxy)-3,3a,4,5,6a,7,9a,9b-octahydro-9a-hydroxy-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6(2H),2'-oxirane]-4-yl ester; [(3aR,4R,6R,6aR,7R,9aS,9bS)-7-acetoxy-9a-hydroxy-9-methyl-3-methylene-2-oxo-spiro[3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-6,2'-oxirane]-4-yl] (Z)-2-methylbut-2-enoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	104943	.	.	.	.	418.4	C22H26O8	112	901	0.9	30	1	8	5	"InChI=1S/C22H26O8/c1-6-10(2)19(24)29-15-8-21(9-27-21)17-14(28-13(5)23)7-11(3)22(17,26)18-16(15)12(4)20(25)30-18/h6-7,14-18,26H,4,8-9H2,1-3,5H3/b10-6-/t14-,15-,16-,17+,18+,21+,22-/m1/s1"	C/C=C(/C)\\C(=O)O[C@@H]1C[C@]2(CO2)[C@@H]3[C@@H](C=C([C@@]3([C@@H]4[C@@H]1C(=C)C(=O)O4)O)C)OC(=O)C	RGPNOZYPJYBPCP-UPVVJIFBSA-N
DG61429	Linearifolin A	5281486	NSC265203; Linearifolin A; CHEMBL1982320; NSC-265203; Sesquiterpene lactone from baileya plant; 26305-86-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	265203	.	.	.	.	360.4	C20H24O6	89.9	747	2.2	26	1	6	3	"InChI=1S/C20H24O6/c1-6-9(2)18(23)26-17-14-11(4)19(24)25-16(14)15(22)10(3)12-7-8-13(21)20(12,17)5/h6-8,10,12,14-17,22H,4H2,1-3,5H3/b9-6+/t10-,12-,14+,15+,16-,17-,20-/m0/s1"	C/C=C(\\C)/C(=O)O[C@H]1[C@H]2[C@@H]([C@@H]([C@H]([C@H]3[C@]1(C(=O)C=C3)C)C)O)OC(=O)C2=C	UQFKZAAOUCMTRM-CEGIGBEESA-N
DG61430	Plumericin	5281545	"Plumericin; 77-16-7; Plurnericin; CHEBI:8274; UNII-L0126U506Z; PLUMERICINE; L0126U506Z; methyl (1S,4S,8R,10S,11E,14S)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate; NSC112152; methyl (E)-ethylidene(oxo)[ ]carboxylate; NSC 112152; CHEMBL517300; SCHEMBL4894690; DTXSID301018956; 2H,4aH-1,4,5-Trioxadicyclopent(a,hi)indene-7-carboxylic acid, 3-ethylidene-3,3a,7a,9b-tetrahydro-2-oxo-, methyl ester, (3aS-(3E,3a.alpha.,4a.beta.,7a.beta.,9aR*,9b.beta.))-; BDBM50480284; NSC-112152; C09796; Q27108026; 2H,4,5-Trioxa-1H-dicyclopent[a,hi]indene-7-carboxylic acid, 3-ethylidene-3,3a.beta.,7a.alpha.,9b.alpha.-tetrahydro-2-oxo-, methyl ester; 2H,4,5-Trioxadicyclopent[a,hi]indene-7-carboxylic acid, 3-ethylidene-3,3a,7a,9b-tetrahydro-2-oxo-, methyl ester, [3aS-(3E,3a.alpha.,4a.beta.,7a.beta.,9aR*,9b.beta.)]-; 2H,4aH-1,4,5-Trioxadicyclopent(a,hi)indene-7-carboxylic acid, 3-ethylidene-3,3a,7a,9b-tetrahydro-2-oxo-, methyl ester, (3aS-(3E,3aalpha,4abeta,7abeta,9aR*,9bbeta))-; 2H,4aH-1,4,5-Trioxadicyclopent(a,hi)indene-7-carboxylic acid, 3-ethylidene-3,3a,7a,9b-tetrahydro-2-oxo-, methyl ester, (3E,3aS,4aR,7aS,9aS,9bS)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112152	.	.	.	.	290.27	C15H14O6	71.1	630	0.8	21	0	6	2	"InChI=1S/C15H14O6/c1-3-7-11-15(21-13(7)17)5-4-8-9(12(16)18-2)6-19-14(20-11)10(8)15/h3-6,8,10-11,14H,1-2H3/b7-3+/t8-,10-,11+,14-,15+/m1/s1"	C/C=C/1\\[C@H]2[C@@]3(C=C[C@H]4[C@@H]3[C@@H](O2)OC=C4C(=O)OC)OC1=O	VFXXNAVZODKBIW-JKXVGBJFSA-N
DG61431	Hispidulin	5281628	"Hispidulin; 1447-88-7; Dinatin; Scutellarein 6-methyl ether; 4',5,7-Trihydroxy-6-methoxyflavone; 4H-1-BENZOPYRAN-4-ONE, 5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6-METHOXY-; 6-O-Methylapigenin; TCMDC-123942; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one; NSC 122415; NSC122415; NSC-122415; Flavone, 4',5,7-trihydroxy-6-methoxy-; CHEMBL293776; UNII-N7F61604C2; CHEBI:75902; N7F61604C2; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one; methoxyapigenin; 6-methoxyapigenin; CCRIS 8484; 6-methoxy apigenin; M-3-GHYDRATE; Oprea1_873387; MLS000728540; SCHEMBL514926; MEGxp0_000683; Hispidulin, >=98% (HPLC); ACon1_000933; cid_5281628; DTXSID30162786; PubChem SID: 26725244; 4',7-Trihydroxy-6-methoxyflavone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-chromen-4-one; HMS2223A03; HMS3344G13; HMS3868N13; HY-N1950; ZINC5732241; Flavone,5,7-trihydroxy-6-methoxy-; BDBM50049395; LMPK12111159; MFCD00143504; s3296; ZB1763; 4 ,5,7-Trihydroxy-6-methoxyflavone; AKOS004110694; 5,7,4''-Trihydroxy-6-methoxyflavone; CS-6502; DB14008; MCULE-3882973229; NCGC00167728-01; NCGC00167728-02; NCGC00169216-01; AC-34245; AS-78830; NCI60_000530; SMR000445653; B6959; FT-0697687; W1618; 447H887; Q-100165; BRD-K72066874-001-01-0; Q15410994; 5,7-Dihydroxy-2-(4-hydroxy-phenyl)-6-methoxy-chromen-4-one; 4H-1-Benzopyran-4-one,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one #; 4H-1-Benzopyran-4-one, 5, 7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-; HUL"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	122415	.	.	.	.	300.26	C16H12O6	96.2	454	1.7	22	3	6	2	"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3"	COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O	IHFBPDAQLQOCBX-UHFFFAOYSA-N
DG61432	Rhamnetin	5281691	"Rhamnetin; 90-19-7; beta-Rhamnocitrin; 7-Methoxyquercetin; 7-O-Methylquercetin; 7-Methylquercetin; Quercetin 7-methyl ether; 3,5,3',4'-Tetrahydroxy-7-methoxyflavone; 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 7-O-Methyl Quercetin; C.I. 75690; .beta.-Rhamnocitrin; UNII-71803L5F4S; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen-4-one; NSC19802; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxychromen-4-one; 2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one; CHEMBL312163; CHEBI:74992; MFCD00016931; NSC-19802; 71803L5F4S; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-chromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-; NSC 19802; CCRIS 3792; EINECS 201-974-1; BRN 0047741; Spectrum_001185; 3,5,3',4'-Tetrahydroxy-7-methoxyflaone; SpecPlus_000463; Spectrum2_000642; Spectrum3_001343; Spectrum4_001872; Spectrum5_000464; BSPBio_003125; KBioGR_002367; KBioSS_001665; SPECTRUM310031; 5-18-05-00495 (Beilstein Handbook Reference); DivK1c_006559; Rhamnetin, analytical standard; SCHEMBL555118; SPBio_000643; FLAVONE, 7-METHOXY-3,3',4',5-TETRAHYDROXY-; BDBM23410; KBio1_001503; KBio2_001665; KBio2_004233; KBio2_006801; KBio3_002345; DTXSID40237979; Rhamnetin - Tech grade ca 50%; HY-N7036; ZINC3875620; 6323AF; CCG-38555; LMPK12112624; AKOS027320587; 3,4',5-Tetrahydroxy-7-methoxyflavone; CS-W014522; SDCCGMLS-0066624.P001; NCGC00095624-01; NCGC00095624-02; NCGC00095624-03; NCGC00178254-01; AS-78315; NCI60_001648; 3 3' 4' 5-tetrahydroxy-7-methoxyflavone; Flavone,3',4',5-tetrahydroxy-7-methoxy-; FT-0672192; Q288988; SR-05000002269; SR-05000002269-2; W-100338; BRD-K37206356-001-01-3; Flavone, 3,3',4',5-tetrahydroxy-7-methoxy- (8CI); 4H-1-Benzopyran-4-one,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy- (9CI); J8G"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19802	.	.	.	.	316.26	C16H12O7	116	503	1.9	23	4	7	2	"InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3"	COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O	JGUZGNYPMHHYRK-UHFFFAOYSA-N
DG61433	Wogonin	5281703	"Wogonin; 632-85-9; 5,7-Dihydroxy-8-methoxyflavone; Vogonin; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-methoxy-2-phenyl-; Norwogonin 8-methyl ether; 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one; UNII-POK93PO28W; 5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one; POK93PO28W; CHEMBL16171; FLAVONE, 5,7-DIHYDROXY-8-METHOXY-; CHEBI:10043; 5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one; Wogonin hydrate; BRN 0287152; wagonin; Wogonin,(S); 5,7-dihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one; ST077088; MLS002473006; SCHEMBL139083; DTXSID70212557; HMS2270G08; ZINC899093; AMY25744; HY-N0400; BDBM50140257; LMPK12111330; MFCD00017736; MFCD12828871; NSC717845; s4743; AKOS015917860; ZINC111327191; CCG-208499; CS-3959; MCULE-9854289767; NSC-717845; NCGC00247464-01; AC-20338; AC-32550; AS-70103; NCI60_040649; SMR001397111; DB-054448; FT-0603499; N1283; V1530; 632W859; Q409606; SR-05000002216; Q-100730; SR-05000002216-2; 5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one(Wogonin)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717845	.	.	.	.	284.26	C16H12O5	76	426	3	21	2	5	2	"InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3"	COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O	XLTFNNCXVBYBSX-UHFFFAOYSA-N
DG61434	Coumestrol	5281707	"COUMESTROL; 479-13-0; Cumoestrol; Cumoesterol; Cumostrol; 3,9-Dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one; 7,12-Dihydroxycoumestan; Cumestrol; 3,9-Dihydroxycoumestan; UNII-V7NW98OB34; 6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-; NSC22842; CHEMBL30707; MLS000738006; CHEBI:3908; V7NW98OB34; 3,9-dihydroxybenzofuro[3,2-c]chromen-6-one; 3,9-dihydroxy-6H-benzofuro[3,2-c]chromen-6-one; 3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one; MFCD00016885; 6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-dihydroxy-; NSC 22842; SMR000059001; CCRIS 7311; EINECS 207-525-6; BRN 0266702; 3,9-Dihydroxy-6H-benzofuro(3,2-c)(1)benzopyran-6-one; DSSTox_CID_2399; NCIMech_000078; DSSTox_RID_76572; DSSTox_GSID_22399; Oprea1_222511; SCHEMBL22012; 5-19-06-00405 (Beilstein Handbook Reference); MLS000069446; BIDD:ER0114; ZINC1219; DTXSID6022399; BDBM23451; HMS2235B05; HMS3374A07; 6H-Benzofuro[3, 3,9-dihydroxy-; Coumestrol, >=95.0% (HPLC); HY-N2335; Tox21_200032; CCG-35536; CCG-36200; LMPK12090018; NSC-22842; AKOS028111776; CS-6343; 3-Benzofurancarboxylic acid, 2-(2,4-dihydroxyphenyl)-6-hydroxy-, delta-lactone (6CI); SMP2_000163; NCGC00018124-01; NCGC00018124-02; NCGC00018124-03; NCGC00018124-04; NCGC00018124-05; NCGC00018124-06; NCGC00023462-03; NCGC00023462-04; NCGC00257586-01; AS-81377; CAS-479-13-0; NCI60_001863; DB-051484; FT-0603177; V0359; D85092; S00280; US8552057, 3; 3,9-dihydroxy-[1]benzoxolo[3,2-c]chromen-6-one; A827386; Q908865; A1-00298; BRD-K97509413-001-01-8; 3,9-Dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one #; 6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-dihdyroxy-; Coumestrol, BioReagent, suitable for fluorescence, >=97.5% (HPLC); 3-Benzofurancarboxylic acid,4-dihydroxyphenyl)-6-hydroxy-, .delta.-lactone; 3-Benzofurancarboxylic acid, 2-(2,4-dihydroxyphenyl)-6-hydroxy-, .delta.-lactone; 5,14-dihydroxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2,4,6,11(16),12,14-heptaen-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	22842	.	.	.	.	268.22	C15H8O5	79.9	411	2.8	20	2	5	0	"InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H"	C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O	ZZIALNLLNHEQPJ-UHFFFAOYSA-N
DG61435	Shogaol	5281794	"6-Shogaol; Shogaol; 555-66-8; (6)-Shogaol; [6]-Shogaol; enexasogaol; 23513-13-5; (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one; Trans-6-Shogaol; Shogaol (6-Shogaol); UNII-83DNB5FIRF; 1-(4-Hydroxy-3-methoxyphenyl)-4-decen-3-one; CHEBI:10138; 83DNB5FIRF; CHEMBL25948; (4E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one; 4-DECEN-3-ONE, 1-(4-HYDROXY-3-METHOXYPHENYL)-; 1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one; CCRIS 2038; MFCD01736094; 6-Shogaol (constituent of ginger) [DSC]; SCHEMBL49054; (E)-1-(4-Hydroxy-3- methoxyphenyl)dec-4-en-3-one; GTPL9773; MEGxp0_001217; Shogaol, >=90% (HPLC); 4-Decen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-, (E); ACon1_001190; 4-Decen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-, (4E)-; [6]-Shogaol, analytical standard; ZINC1531865; BDBM50237536; BDBM50240419; NSC752389; AKOS015888385; CCG-267210; CS-6175; MCULE-3275039845; NSC 752389; NSC-752389; NCGC00169591-01; AC-34334; AS-55975; HY-14616; N2449; S9043; X1222; Y8376; A14648; 4-Decen-3-one, 1-(4-hydroxy-3-methoxyphenyl); 555S668; Q-100639; Q2746448; W-206831; BRD-K23331196-001-01-9; (E)-1-(4-Hydroxy-3-methoxy-phenyl)-dec-4-en-3-one; [(E)-1-(4-hydroxy-3-methoxyphenyl)-dec-4-en-3-one]; 1-(4-Hydroxy-3-methoxyphenyl)-4-dodecen-3-one, 9CI"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752389	.	.	.	.	276.4	C17H24O3	46.5	299	3.7	20	1	3	9	"InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+"	CCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC	OQWKEEOHDMUXEO-BQYQJAHWSA-N
DG61436	Maytansine	5281828	"MAYTANSINE; Maitansine; Maitansina; Maitansinum; NSC-153858; Maytansine [USAN]; NSC 153858; Maytansin; CHEBI:6701; UNII-14083FR882; 35846-53-8; Maytansine (USAN); 14083FR882; (3beta,4beta,5beta,10beta,11e,13e)-Maytansine; Maitansinum [INN-Latin]; NSC153858; Maitansina [INN-Spanish]; EINECS 252-754-7; BRN 5417399; L-Alanine, N-acetyl-N-methyl-, 11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo(19.3.1.110,14.03,5)hexacosa-10,12,14(26),16,18-pentaen-6-yl ester, (1S-(1R*,2S*,3R*,5R*,6R*,16E,18E,20S*,21R*))-; Maitansine [INN]; SCHEMBL61357; N-Acetyl-N-methyl-L-alanine(1S-(1R*,2S*,3R*,5R*,6R*,16E,18E,20S*,21R*))-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethy-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo(19.3.1.1(sup 10,14).0(sup 3,5))hexacosa-10,12,14(26),16,18-pentaen-6-yl ester; CHEMBL292702; DTXSID00879995; ZINC4098792; BDBM50480257; LMPK04000017; (4beta,5beta,11E,13E)-maytansine; HY-13674; CS-0007711; D04864; Q6720157; 3GT"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	153858	.	.	.	.	692.2	C34H46ClN3O10	157	1300	2	48	2	10	6	"InChI=1S/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11+/t19-,20+,25+,26-,27+,30+,33+,34+/m1/s1"	C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)C)C)\\C)OC)(NC(=O)O2)O	WKPWGQKGSOKKOO-RSFHAFMBSA-N
DG61437	Rutacridone epoxide	5281850	"Rutacridone epoxide; Rutacridon-epoxide; 77996-03-3; CHEBI:8918; NSC383031; CCRIS 3339; NSC 383031; Rutacridonepoxide; CHEMBL1968498; DTXSID60999249; NSC-383031; 5-hydroxy-11-methyl-2-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]acridin-6-one; Furo(2,3-c)acridin-6(2H)-one, 1,11-dihydro-5-hydroxy-11-methyl-2-(2-methyloxiranyl)-; NCI60_003670; DS-000119; Q27108189; 5-Hydroxy-11-methyl-2-(2-methyl-2-oxiranyl)-1,11-dihydrofuro[2,3-c]acridin-6(2H)-one; 5-Hydroxy-11-methyl-2-(2-methyloxiran-2-yl)-1,11-dihydrofuro[2,3-c]acridin-6(2H)-one; 5-HYDROXY-11-METHYL-2-(2-METHYLOXIRAN-2-YL)-1H,2H,6H,11H-FURO[2,3-C]ACRIDIN-6-ONE; Furo[2,3-c]acridin-6(2h)-one,1,11-dihydro-5-hydroxy-11-methyl-2-(2-methyloxiranyl)-(9ci)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	383031	.	.	.	.	323.3	C19H17NO4	62.3	554	3.3	24	1	5	1	"InChI=1S/C19H17NO4/c1-19(9-23-19)15-7-11-14(24-15)8-13(21)16-17(11)20(2)12-6-4-3-5-10(12)18(16)22/h3-6,8,15,21H,7,9H2,1-2H3"	CC1(CO1)C2CC3=C(O2)C=C(C4=C3N(C5=CC=CC=C5C4=O)C)O	YXQGLAPCZDYVLL-UHFFFAOYSA-N
DG61438	Ellagic acid	5281855	"ellagic acid; 476-66-4; Benzoaric acid; Elagostasine; Lagistase; 2,3,7,8-Tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione; Eleagic acid; Alizarine Yellow; Gallogen; Llagic acid; Acide ellagique; Acido elagico; Acidum ellagicum; C.I. 55005; C.I. 75270; Ellagicacid; Ellagate; UNII-19YRN3ZS9P; Gallogen, astringent; MLS000069632; C14H6O8; MFCD00006914; NSC407286; 19YRN3ZS9P; CHEMBL6246; SMR000058244; CHEBI:4775; 4,4',5,5',6,6'-hexahydroxydiphenic acid 2,6,2',6'-dilactone; 2,3,7,8-Tetrahydroxy(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione; NSC656272; tetrahydroxy[ ]dione; NSC-407286; NSC-656272; NCGC00017245-02; DSSTox_CID_557; (1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-; 2,3,7,8-tetrahydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione; DSSTox_RID_75657; DSSTox_GSID_20557; 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione; Gallogen (VAN); Gallogen (astringent); Pomegranate juice; [1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-; Ellagic acid [INN:DCF]; CAS-476-66-4; Acido elagico [INN-Spanish]; CCRIS 774; Acide ellagique [INN-French]; Acidum ellagicum [INN-Latin]; SR-01000721925; EINECS 207-508-3; NSC 407286; NSC 656272; BRN 0047549; Benzoarate; Ellagsaeure; Polyphenolic; Eleagate; Ellagic; Llagate; ellagic-acid; Elagic Acid; HSDB 7574; 2zjw; REF; Ellagic acid, 96%; Spectrum_001194; Diphenic acid, 4,4',5,5',6,6'-hexahydroxy-, di-delta-lactone; Spectrum2_000905; Spectrum3_001535; Spectrum4_000750; Spectrum5_000959; Oprea1_032884; SCHEMBL20429; BSPBio_002950; KBioGR_001080; KBioSS_001674; 5-19-07-00108 (Beilstein Handbook Reference); MLS006011868; BIDD:ER0482; BIDD:GT0565; SPECTRUM1502245; SPBio_000750; BDBM4078; LTK-20; DTXSID2020557; SCHEMBL19184504; BCBcMAP01_000154; cid_5281855; KBio2_001674; KBio2_004242; KBio2_006810; KBio3_002450; Ellagic acid, analytical standard; HMS1921N20; HMS3673M09; Pharmakon1600-01502245; BCP10830; HY-B0183; TNP00132; ZINC3872446; Tox21_110805; 6244AF; BBL009292; CCG-36358; NSC758198; s1327; STK801964; Ellagic acid, >=96.0% (HPCE); 2,3,7,8-Tetrahydroxy(1)benzopyrano(5,4,3-cde)-(1)benzopyran-5,10-dione; AKOS004120045; Tox21_110805_1; CS-2067; DB08846; NSC-758198; SDCCGMLS-0066664.P001; SMP1_000111; NCGC00017245-01; NCGC00017245-03; NCGC00017245-04; NCGC00017245-05; NCGC00017245-06; NCGC00017245-07; NCGC00017245-08; NCGC00017245-09; NCGC00017245-10; NCGC00017245-12; NCGC00094975-01; NCGC00094975-02; NCGC00094975-03; NCGC00094975-04; NCGC00178375-01; AC-11647; AC-30710; AS-35095; NCI60_003869; SBI-0051742.P002; E0375; Ellagic Acid, Dihydrate - CAS 476-66-4; FT-0603405; MLS-0066664.0001; AB00052292_11; AB00052292_12; A872094; Q422044; SR-01000721925-3; SR-01000721925-4; SR-01000721925-5; SR-01000721925-6; SR-01000721925-7; W-202834; BRD-K30466858-001-05-4; Ellagic acid, primary pharmaceutical reference standard; Ellagic acid, >=95% (HPLC), powder, from tree bark; Diphenic acid,4',5,5',6,6'-hexahydroxy-, di-.delta.-lactone; 2,3,7,8-Tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione #; Diphenic acid, 4,4',5,5',6,6'-hexahydroxy-, di-.delta.-lactone; [1]Benzopyrano[5,3-cde][1]benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-; 2,3,7,8-Tetrahydroxy-[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione; 2,3,7,8-TETRAHYDROXY-CHROMENO[5,4,3-CDE]CHROMENE-5,10-DIONE; 2,3,7,8-Tetrahydroxy[1]benzopyrano-[5,4,3-cde][1]benzopyran-5,10-dione; [1,2'-dicarboxylic acid, 4,4',5,5',6,6'-hexahydroxy-, di-.delta.-lactone; (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',5,5',6,6'-hexahydroxy-, di-.delta.-lactone; 122328-15-8; 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione; 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407286	.	.	.	.	302.19	C14H6O8	134	475	1.1	22	4	8	0	"InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H"	C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O	AFSDNFLWKVMVRB-UHFFFAOYSA-N
DG61439	NSC122750	5281885	"[(3R,5R,6S,7R,8E,10R,11R,12Z,14E)-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate; geldanamycin; NSC122750; Geldanamicin; 30562-34-6; Antibiotic U 29135; Antibiotic (U-29,135); AC-6794; CHEMBL182055; ZINC8234390; AKOS025402235; [(3R,5R,6S,7R,8E,10R,11R,12Z,14E)-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate; 2-Azabicyclo[16.3.1]docosa-4,10,18,21-pentaene- 3,20,22-trione, 9,13-dihydroxy-8,14,19-trimethoxy- 4,10,12,16-tetramethyl-, 9-carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	122750	.	.	.	.	560.6	C29H40N2O9	164	1150	2	40	3	9	5	"InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17-,22-,23-,24+,26-/m1/s1"	C[C@H]1C[C@H]([C@H]([C@@H](/C=C(/[C@H]([C@@H](/C=C\\C=C(\\C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)/C)OC)OC(=O)N)\\C)C)O)OC	QTQAWLPCGQOSGP-VKNBREQOSA-N
DG61440	"4,4'-Dihydroxystilbene"	5282363	"4,4'-Dihydroxystilbene; 659-22-3; p,p'-Dihydroxystilbene; Stilbene-4,4'-diol; 4,4'-(ethene-1,2-diyl)diphenol; 4,4'-Dioxystilbene; UNII-921UXX4IZL; Trans-4,4'-Dihydroxystilbene; 4,4'-dihydroxy stibene; 15058-36-3; 4,4'-Stilbenediol; 921UXX4IZL; CHEMBL196731; 4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol; CHEBI:36012; 4,4'-(E)-ethene-1,2-diyldiphenol; 4,4/'-(Z)-ETHENE-1,2-DIYLDIPHENOL; 4,4'-dihydroxy-trans-stilbene; trans-4,4'-Stilbenediol; (E)-4,4'-Dihydroxystilbene; 4,4'-Stilbenediol, (E)-; NSC 4184; EINECS 211-530-9; Phenol, 4,4'-(1E)-1,2-ethenediylbis-; (E)-4,4'-stilbenediol; Phenol, 4,4'-(1,2-ethenediyl)bis-, (E)-; trans-stilbene-4,4'-diol; 1,1-Dichloroheptan-2-one; (E)-Stilbene-4,4'-diol; BIDD:ER0188; DTXSID7022465; 4,4'-ethene-1,2-diyldiphenol; CHEBI:34368; NSC4184; 4,4'-(1,2-ethenediyl)bisphenol; Phenol,4'-(1,2-ethenediyl)bis-; NSC-4184; ZINC1510311; BDBM50410524; LMPK13090018; AKOS000278359; (e)-4,4'-(ethene-1,2-diyl)diphenol; 4,4'-[(1E)-ethene-1,2-diyl]diphenol; phenol, 4,4'-[(E)-1,2-ethenediyl]bis-; EC-000.1580; 4,4 inverted exclamation mark -dihydroxystilbene; Q27891518; UNII-6DRS5V9W5C component XLAIWHIOIFKLEO-OWOJBTEDSA-N"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4184	.	.	.	.	212.24	C14H12O2	40.5	197	3.5	16	2	2	2	"InChI=1S/C14H12O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10,15-16H/b2-1+"	C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)O)O	XLAIWHIOIFKLEO-OWOJBTEDSA-N
DG61441	"15deoxy-delta-12,14-PGJ2"	5283035	"15deoxy-delta-12,14-PGJ2; (Z)-7-[(1S,5E)-5-[(Z)-oct-2-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid; 15d-Delta12,14-PGJ2; LS-125843; 15-Deoxy-D-12,14-prostaglandin J2; CHEMBL520218; GTPL1877; SCHEMBL1440733; ZINC4655372; 1233AH; NSC720093; NSC-720093; 89886-60-2; Q27070777; 11-OXO-PROSTA-5Z,9,12E,14Z-TETRAEN-1-OIC ACID; (Z)-7-[(1S,5E)-5-[(Z)-oct-2-enylidene]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720093	.	.	.	.	316.4	C20H28O3	54.4	495	5	23	1	3	11	"InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6-,18-13+/t17-/m0/s1"	CCCCC/C=C\\C=C\\1/[C@H](C=CC1=O)C/C=C\\CCCC(=O)O	VHRUMKCAEVRUBK-WKELIDJCSA-N
DG61442	"(8E)-2-amino-8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-6-ethyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile"	5285732	"NSC706015; CHEMBL1972177; STK751381; AKOS001720112; MCULE-2349064662; NSC-706015; (8E)-2-amino-8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-6-ethyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile; 1207670-81-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706015	.	.	.	.	438.3	C24H21Cl2N3O	62.3	793	4.7	30	1	4	3	"InChI=1S/C24H21Cl2N3O/c1-2-29-13-17(11-15-3-7-18(25)8-4-15)23-21(14-29)22(20(12-27)24(28)30-23)16-5-9-19(26)10-6-16/h3-11,22H,2,13-14,28H2,1H3/b17-11+"	CCN1C/C(=C\\C2=CC=C(C=C2)Cl)/C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=C(C=C4)Cl	JFMFPEDGIFBDTR-GZTJUZNOSA-N
DG61443	5-amino-3-[(Z)-2-(1-benzyl-1H-indol-3-yl)-1-cyanoethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile	5286855	NSC717543; Cambridge id 5657689; CHEMBL1970250; ZINC5596979; STK756560; AKOS000518557; MCULE-5224157123; NSC-717543; SR-01000421543; SR-01000421543-1; 5-Amino-3-[2-(1-benzyl-1H-indol-3-yl)-1-cyano-vinyl]-1-phenyl-1H-pyrazole-4-carb; 5-amino-3-[(Z)-2-(1-benzyl-1H-indol-3-yl)-1-cyanoethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717543	.	.	.	.	440.5	C28H20N6	96.4	822	5.3	34	1	4	5	"InChI=1S/C28H20N6/c29-16-21(27-25(17-30)28(31)34(32-27)23-11-5-2-6-12-23)15-22-19-33(18-20-9-3-1-4-10-20)26-14-8-7-13-24(22)26/h1-15,19H,18,31H2/b21-15+"	C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=C(\\C#N)/C4=NN(C(=C4C#N)N)C5=CC=CC=C5	LRZKIEKWDAVUJQ-RCCKNPSSSA-N
DG61444	Alvocidib	5287969	"Flavopiridol; Alvocidib; 146426-40-6; L 868275; L-868275; Flavopiridol (Alvocidib); Alvocidib freebase; HMR-1275; L86-8275; UNII-45AD6X575G; HMR 1274; 131740-09-5; L 86-8275; 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one; 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one; CHEMBL428690; 45AD6X575G; 2-(2-chlorophenyl)-5,7-dihydroxy-8-((3S,4R)-3-hydroxy-1-methylpiperidin-4-yl)-4H-chromen-4-one; 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE; NSC 649890 HCl; MDL-107826A; 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidyl]chromen-4-one; FLAVO; Flavoperidol; HL-275; MDL 107,826A; L868275; Alvocidib [USAN:INN]; alvocidibum; CCRIS 9399; (-)cis-5,7-Dihydroxy-2-(2-chlorophenyl)-8-(4-(3-hydroxy-1-methyl)piperidinyl)-4H-1-benzopyran-4-one; NSC649890; 1c8k; 1e1y; Alvocidib (USAN/INN); SCHEMBL3652; Flavopiridol HCl; Alvocidib; BDBM5655; GTPL5680; CHEBI:47344; DTXSID20904970; EX-A1901; Flavopiridol,Alvocidib, HMR-1275; HMR-1274; MFCD20501884; NSC799330; s1230; ZINC21288966; AM84422; CCG-268666; DB03496; NSC-799330; (-)-cis-5,7-dihydroxy-2-(2-chlorophenyl)-8-(4-(3-hydroxy-1-methyl)piperidinyl)-4H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-((3R,4S)-3-hydroxy-1-methyl-4-piperidinyl)-, rel-(-)-; 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidinyl)-, cis-(-)-; 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-; AS-74761; HY-10005; A25160; D09868; J-008219; Q4063441; BRD-K87909389-001-01-2; 2-(2-chlorophenyl)-5,7-dihydroxy-8-((3S,4R)-3-hydroxy-1-methylpiperidin-4-yl)-4H-chromen-4-one;Alvocidib; 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-2,3-dihydro-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-; 5,7-Dihydroxy-2-(2-chlorophenyl)-8-(1-methyl-3beta-hydroxypiperidin-4beta-yl)-4H-1-benzopyran-4-one; Alvocidib; ; ; L-868275; ; ; HMR-1275; ; ; 2-(2-Chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799330	.	.	.	.	401.8	C21H20ClNO5	90.2	628	3.3	28	3	6	2	"InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1"	CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-YVEFUNNKSA-N
DG61445	Fenretinide	5288209	"FENRETINIDE; 65646-68-6; N-(4-Hydroxyphenyl)retinamide; 4-HPR; 4-hydroxyphenylretinamide; 4-Hydroxyphenyl retinamide; Retinoic acid p-hydroxyanilide; all-trans-4'-Hydroxyretinanilide; Fenretinida; Fenretinidum; McN-R-1967; 4-hydroxy(phenyl)retinamide; N-(4-Hydroxyphenyl)all-Trans Retinamide; Retinamide, N-(4-hydroxyphenyl)-; Retinoic acid p-hydroxyphenylamide; UNII-187EJ7QEXL; 4-(hydroxyphenyl)retinamide; 15-[(4-hydroxyphenyl)amino]retinal; MFCD00792674; (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenamide; 187EJ7QEXL; CHEMBL7301; MLS002701698; CHEBI:42588; NSC-374551; NSC-760419; NCGC00090752-03; DSSTox_CID_12005; DSSTox_RID_78900; DSSTox_GSID_32005; Fenretinidum [Latin]; Fenretinida [Spanish]; 4HPR; Fenretinide [USAN:INN]; SMR001456303; CAS-65646-68-6; CCRIS 3260; SR-01000075917; (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide; BRN 5769490; Rii retinamide; SYT-101; ST-602; Fenretinide; 4-HPR; Fenretinide (4-HPR); p-Hydroxyphenylretinamide; Spectrum5_001939; Fenretinide (USAN/INN); Lopac0_000625; SCHEMBL11703; SCHEMBL11704; BSPBio_001419; MLS001055399; MLS006010811; BML2-E08; N-(4-hydroxyphenyl)-retinamide; DTXSID2032005; SCHEMBL15703189; CHEBI:92493; AMY9087; AOB6402; 15-(4-Hydroxyanilino)retinal #; HMS1361G21; HMS1791G21; HMS1989G21; HMS2089B17; HMS3261N12; HMS3402G21; HMS3412M06; HMS3676M06; Pharmakon1600-01505602; 4-HPR;(4-Hydroxyphenyl)retinamide; BCP06908; EX-A4102; N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide; ZINC3871023; Tox21_111007; Tox21_200989; Tox21_500625; 1-enyl)nona-2,4,6,8-tetraenamide; 3670AH; BDBM50092055; HSCI1_000112; NSC374551; NSC760419; s5233; CALIX[4!-BIS-CROWN-6,95; AKOS024456572; Tox21_111007_1; CCG-204713; CS-0789; DB05076; LP00625; MK-4016; N-(4-hydroxyphenyl)retinamide, 4-HPR; NSC 760419; SDCCGSBI-0050606.P002; all-trans-n-(4-hydroxyphenyl)retinamide; dimethyl-9-(2,6,6-trimethylcyclohex-; IDI1_033889; Retinoic acid p-hydroxyanilide, >=95%; NCGC00090752-01; NCGC00090752-02; NCGC00090752-04; NCGC00090752-05; NCGC00090752-06; NCGC00090752-07; NCGC00090752-09; NCGC00090752-10; NCGC00090752-11; NCGC00090752-12; NCGC00090752-20; NCGC00258542-01; NCGC00261310-01; AS-59667; BP-13369; HY-15373; SMR000677938; EU-0100625; H1464; D04162; H 7779; (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-; AB00172992-07; 646F686; A835178; Q5443576; SR-01000075917-1; SR-01000075917-4; (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acid (4-hydroxy-phenyl)-amide; (2E,4E,6E,8E)-N-(4-Hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide; (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenamide; (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide;Fenretinide; 2,6,8-Nonatetraenamide, N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl-, (all-E)-; 3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acid (4-hydroxy-phenyl)-amide; N-(4-Hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraeneamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	374551	.	.	.	.	391.5	C26H33NO2	49.3	726	7.3	29	2	2	6	"InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+"	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=CC=C(C=C2)O)/C)/C	AKJHMTWEGVYYSE-FXILSDISSA-N
DG61446	Alvespimycin	5288674	"alvespimycin; 17-DMAG; 467214-20-6; DMAG; KOS1022; KOS 1022; 17-(dimethylaminoethylamino)-17-demethoxygeldanamycin; UNII-001L2FE0M3; CHEBI:65324; 17-dimethylaminoethylamino-17-demethoxygeldanamycin; 17-DESMETHOXY-17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCIN; NSC 707545; 150270-08-9; 001L2FE0M3; ((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(2-dimethylaminoethylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo(16.3.1)docosa-4,6,10,18,21-pentaen-9-yl) carbamate; 17-(DIMETHYLAMINOETHYLAMINO)-17-DEMETHOXYGELDANAMYCIN HCL; (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate; [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate; NSC707545; (4E,6Z,10E,12S,13R,16R)-19-(2-(Dimethylamino)ethylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate; Alvespimycin [INN]; 17-Dimethylaminogeldanamycin; C32H48N4O8; NSC-707545; 17-dimethylaminoethylamino-17-demethoxy-geldanamycin; 17-(dimethylaminoethylamino)-17-demethoxy-geldanamycin; GTPL9828; SCHEMBL5449716; CHEBI:94772; EX-A1103; BDBM50005781; MFCD08457919; ZINC100030312; CS-0912; DB12442; AC-33174; HY-10389; X8446; M03709; 214D206; Q4552287; BRD-K83988098-001-02-0; BRD-K83988098-003-01-8; [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-[2-(dimethylamino)ethylamino]-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707545	.	.	.	.	616.7	C32H48N4O8	170	1230	2	44	4	10	8	"InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1"	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\\C=C(\\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)/C)OC)OC(=O)N)\\C)C)O)OC	KUFRQPKVAWMTJO-LMZWQJSESA-N
DG61447	Peridinin	5289155	"Peridinin; 33281-81-1; CHEMBL1980535; NSC679586; [(1S,3R)-3-hydroxy-4-[(3E,5E,7E,9E,11Z)-11-[4-[(E)-2-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]ethenyl]-5-oxofuran-2-ylidene]-3,10-dimethylundeca-1,3,5,7,9-pentaenylidene]-3,5,5-trimethylcyclohexyl] acetate; 6'-epi-Peridinin; SCHEMBL135779; DTXSID20903948; BDBM50525245; LMPR01070007; ZINC73240896; DB03001; NSC-679586; Q2080033; (1S,3R,4R)-3-hydroxy-4-{(3E,5E,7E,9E,11Z)-11-[4-{(E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]ethenyl}-5-oxofuran-2(5H)-ylidene]-3,10-dimethylundeca-1,3,5,7,9-pentaen-1-ylidene}-3,5,5-trimethylcyclohexyl acetate; (5Z)-5-[(2E,4E,6E,8E)-2,9-Dimethyl-11-[(1S,2R,4S)-4-acetoxy-2-hydroxy-2,6,6-trimethylcyclohexan-1-ylidene]-2,4,6,8,10-undecapenten-1-ylidene]-3-[(E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]furan-2(5H)-one; 2(5H)-Furanone, 5-(11-(4-(acetyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene)-2,9-dimethyl-2,4,6,8,10-undecapentaenylidene)-3-(2-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo(4.1.0)hept-1-yl)ethenyl)-, (1S-(1alpha(E(5Z(2E,4E,6E,8E,11(1S*,2S*,4R*)))),4alpha,6alpha))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679586	.	.	.	.	630.8	C39H50O7	106	1540	6.6	46	2	7	9	"InChI=1S/C39H50O7/c1-26(16-17-33-35(4,5)24-32(44-28(3)40)25-37(33,8)43)14-12-10-11-13-15-27(2)20-31-21-29(34(42)45-31)18-19-39-36(6,7)22-30(41)23-38(39,9)46-39/h10-16,18-21,30,32,41,43H,22-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,31-20-/t17 ,30-,32-,37+,38+,39-/m0/s1"	C/C(=C\\C=C\\C=C\\C=C(/C)\\C=C/1\\C=C(C(=O)O1)/C=C/[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/C=C=C4[C@](C[C@H](CC4(C)C)OC(=O)C)(C)O	UYRDHEJRPVSJFM-VSWVFQEASA-N
DG61448	"(2Z,4Z)-1,6-bis(2,4-dimethylphenyl)-3,4-dihydroxy-2,4-hexadiene-1,6-dione"	5290828	"NSC707060; CHEMBL1985300; STK761344; AKOS000581948; MCULE-1904487107; MCULE-6456294796; NSC-707060; NCI60_038067; SR-01000526656; SR-01000526656-1; 1,6-bis(2,4-dimethylphenyl)-3,4-dihydroxy-2,4-hexadiene-1,6-dione; (2Z,4Z)-1,6-bis(2,4-dimethylphenyl)-3,4-dihydroxy-2,4-hexadiene-1,6-dione; (2Z,4Z)-1,6-bis(2,4-dimethylphenyl)-3,4-dihydroxyhexa-2,4-diene-1,6-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707060	.	.	.	.	350.4	C22H22O4	74.6	537	5.2	26	2	4	5	"InChI=1S/C22H22O4/c1-13-5-7-17(15(3)9-13)19(23)11-21(25)22(26)12-20(24)18-8-6-14(2)10-16(18)4/h5-12,23-24H,1-4H3/b19-11-,20-12-"	CC1=CC(=C(C=C1)/C(=C/C(=O)C(=O)/C=C(\\O)/C2=C(C=C(C=C2)C)C)/O)C	AXOYPCRZROGMDX-YZLQMOBTSA-N
DG61449	3-[(E)-2-nitroprop-1-enyl]-1H-indole	5291187	"22693-51-2; 3-[(E)-2-nitroprop-1-enyl]-1H-indole; 1-INDYL-2-NITROPROPENE; 3-(2-NITRO-1-PROPENYL)INDOLE; 64252-02-4; 3-[(1E)-2-nitroprop-1-en-1-yl]-1H-indole; 3-[(E)-2-Nitro-1-propenyl]-1H-indole; (E)-3-(2-Nitroprop-1-en-1-yl)-1H-indole; NSC65628; 3-(beta-nitro-beta-methylvinyl)indole; Oprea1_857187; ZINC4539049; MFCD00022747; NSC-65628; STK386853; AKOS000291499; MCULE-8611151311; NCGC00319340-01; 3-(2-nitroprop-1-en-1-yl)-1h-indole; NS-02073; DS-018770; CS-0236224; 1H-Indole, 3-[(1E)-2-nitro-1-propenyl]-; AB01315536-02; AB01315536-04"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	65628	.	.	.	.	202.21	C11H10N2O2	61.6	283	2.9	15	1	2	1	"InChI=1S/C11H10N2O2/c1-8(13(14)15)6-9-7-12-11-5-3-2-4-10(9)11/h2-7,12H,1H3/b8-6+"	C/C(=C\\C1=CNC2=CC=CC=C21)/[N+](=O)[O-]	BPAQTDYDNBMYAM-SOFGYWHQSA-N
DG61450	"N-(4-ethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine"	5308471	GNF-Pf-4080; MLS000116648; CHEMBL603943; HMS2263J05; MMV007374; NSC766590; MCULE-9865656797; NSC-766590; SMR000093612; SR-01000124922; SR-01000124922-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766590	.	.	.	.	267.33	C15H17N5	55.1	315	3.6	20	1	4	3	"InChI=1S/C15H17N5/c1-4-12-5-7-13(8-6-12)18-14-9-10(2)16-15-17-11(3)19-20(14)15/h5-9,18H,4H2,1-3H3"	CCC1=CC=C(C=C1)NC2=CC(=NC3=NC(=NN23)C)C	WAUKSVKCFIGKGN-UHFFFAOYSA-N
DG61451	Ezatiostat	5310939	"Ezatiostat; 168682-53-9; Telintra; TLK-199; UNII-057D10I8S8; Ter-199; C27H35N3O6S; gamma-Glu-S-BzCys-PhGly diethyl ester; 057D10I8S8; ethyl (2S)-2-amino-5-[[(2R)-3-benzylsulfanyl-1-[[(1R)-2-ethoxy-2-oxo-1-phenylethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate; gamma-Glutamyl-S-(benzyl)-cysteinyl-R(-)-phenylglycine diethyl ester; 286942-97-0; ethyl (2S)-2-amino-4-{[(1R)-2-(benzylsulfanyl)-1-{[(1R)-2-ethoxy-2-oxo-1-phenylethyl]carbamoyl}ethyl]carbamoyl}butanoate; Ezatiostat [INN]; Terrapin 199; TER 199; SCHEMBL420400; CHEMBL2110585; DTXSID40168592; EX-A345; Ezatiostat(TER199; TLK199); 3664AH; HY-13634A; MFCD27982957; NSC758484; ZINC56898832; AKOS005266721; CS-1713; DB05460; NSC-758484; Glycine, L-g-glutamyl-S-(phenylmethyl)-L-cysteinyl-2-phenyl-,1,3-diethyl ester, (2R)-; NCGC00263221-01; NCGC00263221-05; AS-74082; 942E970; J-690234; Q27095680; Glycine, L-gamma-glutamyl-S-(phenylmethyl)-L-cysteinyl-2-phenyl-, diethyl ester, (2R)-; Glycine, N-(N-L-gamma-glutamyl-S-(phenylmethyl)-L-cysteinyl)-D-2-phenyl-, diethyl ester; 1-(5-Chloro-2-{2-[(2R)-4-(4-fluorobenzyl)-2-methyl-1-piperazinyl]-2-oxoethoxy}phenyl)urea; Ethyl N5-((R)-3-(benzylthio)-1-(((R)-2-ethoxy-2-oxo-1-phenylethyl)amino)-1-oxopropan-2-yl)-L-glutaminate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758484	.	.	.	.	529.6	C27H35N3O6S	162	725	2.7	37	3	8	17	"InChI=1S/C27H35N3O6S/c1-3-35-26(33)21(28)15-16-23(31)29-22(18-37-17-19-11-7-5-8-12-19)25(32)30-24(27(34)36-4-2)20-13-9-6-10-14-20/h5-14,21-22,24H,3-4,15-18,28H2,1-2H3,(H,29,31)(H,30,32)/t21-,22-,24+/m0/s1"	CCOC(=O)[C@H](CCC(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)N[C@H](C2=CC=CC=C2)C(=O)OCC)N	GWEJFLVSOGNLSS-WPFOTENUSA-N
DG61452	Cytochalasin B	5311281	"CYTOCHALASIN B; Phomin; 14930-96-2; cytochalasin-B; UNII-3CHI920QS7; CHEBI:23527; C29H37NO5; MLS000028816; 3CHI920QS7; MFCD00077704; SMR000058787; Cytochalasin B from Drechslera dematioidea; Cytochalasin beta,helminthosporium dematioideum; (1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione; (4Z,12Z)-19-Benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione; 24-Oxa(14)cytochalasa-6(12),13,21-triene-1,23-dione, 7,20-dihydroxy-16-methyl-10-phenyl-, (7S,13E,16R,20R,21E)-; MLS002703001; CCRIS 9284; NSC107658; HSDB 3479; 2H-Oxacyclotetradec(2,3-d)isoindole-2,18(5H)-dione, 16-benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-, (E,E)-(5S,9R,12aS,13S,15S,15aS,16S,18aS)-; EINECS 239-000-2; BRN 1096207; Cytochalasin B (Phomin); Opera_ID_1877; Spectrum5_001780; BSPBio_001600; MLS001148651; CHEMBL411729; GTPL5334; SCHEMBL20063279; BCBcMAP01_000011; DTXSID30893482; REGID_for_CID_5311281; HMS1361P22; HMS1791P22; HMS1989P22; HMS3402P22; 2H-Oxacyclotetradecino(2,3-d)isoindole-2,18(5H)-dione, 6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-, (3E,5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-; 7(S),20(R)-Dihydroxy-16(R)-methyl-10-phenyl-24-oxa(14)cytochalasa-6(12),13(E),21(E)-triene-1,23-dione; ZINC3932776; BDBM50478403; CCG-39777; LMPK11000002; AKOS025311470; NSC-107658; 7,20-Dihydroxy-10-phenyl-5,16-dimethyl-24-oxa-(14)cytochalas-6(12),13,21-trien-23-one; IDI1_034070; NCGC00163439-01; NCGC00163439-02; (E,E)-(5S,9R,12aS,13S,15S,15aS,16S,18aS)-16-Benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-2H-oxacyclotetradec(2,3-d)isoindole-2,18(5H)-dione; HY-16928; CS-0012975; V0352; C19954; Cytochalasin B from Helminthosporium dematioideum; W-201323; Q26998028; Cytochalasin B from Drechslera dematioidea, >=97.0% (HPLC); Cytochalasin B from Drechslera dematioidea, >=98% (HPLC), powder; (3E,5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(5H)-dione; (3E,5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-6,7,8,9,10,12a,13,14,15,15a,16,17-Dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(5H)-dione; (3S,3aS,4S,6S,6aS,7E,10R,14R,15E,181S)-3-benzyl-6,14-dihydroxy-4,10-dimethyl-5-methylene-3,3a,4,5,6,6a,9,10,11,12,13,14-dodecahydro-1H-[1]oxacyclotetradeca[2,3-d]isoindole-1,17(2H)-dione; 11032-95-4; 2H-Oxacyclotetradec(2,3-d)isoindole-2,18(5H)-dione, 16-benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-, (E)-(5S,9R,12aS,13S,15S,15aS,16aS,18aS)-; 2H-Oxacyclotetradecino(2,3-d)isoindole-2,18(5H)-dione, 16-benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-, (E,E)-(5S,9R,12aS,13S,15S,15aS,16S,18aS)-; 5RH; Cytochalasin B from Drechslera dematioidea, Ready Made Solution, 10 mg/mL in DMSO, 0.2 mum filtered"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	107658	.	.	.	.	479.6	C29H37NO5	95.9	859	3.4	35	3	5	2	"InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1"	C[C@@H]1CCC[C@H](/C=C/C(=O)O[C@]23[C@@H](/C=C/C1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)CC4=CC=CC=C4)C)O)O	GBOGMAARMMDZGR-TYHYBEHESA-N
DG61453	Centaureidin	5315773	"Centaureidin; 17313-52-9; Desmethoxycentaureidine; 5,7,3'-Trihydroxy-3,6,4'-trimethoxyflavone; NSC-106969; UNII-548R7290J9; 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxychromen-4-one; CHEMBL77552; MLS002701956; CHEBI:69356; 548R7290J9; 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-4H-chromen-4-one; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-; centaureidine; NSC106969; NSC 106969; SCHEMBL9953; cid_5315773; DTXSID50169530; BCP31517; ZINC3871987; BDBM50064891; LMPK12113000; MFCD09752779; ZINC03871987; quercetagetin 3,6,4'-trimethyl ether; MCULE-7507998415; SMR001565538; 6-hydroxyquercetin 3,6,4''-trimethyl ether; 5,7,3''-trihydroxy-3,6-4''-trimethoxyflavone; Q5059026; Desmethoxycentaureidine;5,7,3'-Trihydroxy-3,6,4'-trimethoxyflavone; 5,7-Dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3,6-dimethoxy-chromen-4-one; 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one; NCGC00385612-01!5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxychromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106969	.	.	.	.	360.3	C18H16O8	115	561	2.8	26	3	8	4	"InChI=1S/C18H16O8/c1-23-11-5-4-8(6-9(11)19)16-18(25-3)15(22)13-12(26-16)7-10(20)17(24-2)14(13)21/h4-7,19-21H,1-3H3"	COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)O	BZXULYMZYPRZOG-UHFFFAOYSA-N
DG61454	Irisquinone	5318483	"Irisquinone; 56495-82-0; Irisquinone A; UNII-GW0P1VS52W; GW0P1VS52W; Pallasone; 2-[(Z)-heptadec-10-enyl]-6-methoxycyclohexa-2,5-diene-1,4-dione; BRN 2005301; NSC614642; Iq-7611; 6-Methoxy-2-delta(sup 10')-cis-heptadecenyl-1,4-benzoquinone; 2-[10(Z)-Heptadecenyl]-6-methoxy-1,4-benzoquinone; CHEMBL461167; SCHEMBL13246144; ZINC8214419; 2,5-Cyclohexadiene-1,4-dione, 2-(10-heptadecenyl)-6-methoxy-, (Z)-; NSC-614642; 2,4-dione, 2-(10-heptadecenyl)-6-methoxy-, Z-; Q27279311"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614642	.	.	.	.	374.6	C24H38O3	43.4	526	8.2	27	0	3	16	"InChI=1S/C24H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-22(25)20-23(27-2)24(21)26/h8-9,19-20H,3-7,10-18H2,1-2H3/b9-8-"	CCCCCC/C=C\\CCCCCCCCCC1=CC(=O)C=C(C1=O)OC	YYCCUFKHCNSRIA-HJWRWDBZSA-N
DG61455	Methyl linolenate	5319706	"METHYL LINOLENATE; 301-00-8; Linolenic acid methyl ester; Methyl alpha-linolenate; methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate; Linolenic acid, methyl ester; UNII-0S1NS923K6; alpha-Linolenic acid methyl ester; Methyl all-cis-9,12,15-octadecatrienoate; Methyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate; 9,12,15-Octadecatrienoic acid, methyl ester, (Z,Z,Z)-; Methyl cis,cis,cis-octadec-9,12,15-trienoate; 0S1NS923K6; MFCD00135851; cis,cis,cis-9,12,15-Octadecatrienoic acid, methyl ester; Methyllinolenate; EINECS 206-102-3; Linolenic acid methyl; NSC 607759; methyl (Z)-linolenate; Methyl cis,cis,cis-9,12,15-octadecatrienoate; AI3-26935; Methyl .alpha.-linolenate; Linolenic acid-methyl ester; Methyl linolenate, .alpha.; DSSTox_CID_21560; DSSTox_GSID_41560; SCHEMBL55951; CHEMBL1172198; DTXSID5041560; CHEBI:133634; Methyl linolenate, >=99% (GC); Tox21_303764; Linolenic Acid Methyl Ester solution; NSC607759; ZINC12405245; Methyl linolenate, analytical standard; CS-5627; NSC-607759; methyl (9Z,12Z,15Z)-octadecatrienoate; NCGC00357264-01; AC-33780; AS-56871; CAS-301-00-8; HY-21268; L0051; S0324; X6645; Methyl linolenate, technical, 70-80% (GC); D91234; A912782; 0FE5A6DF-F28B-4F68-A34B-F46CBC4F91AD; [Z,Z,Z]-9,12,15-Octadecadienoic acid methyl ester; Methyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate #; Q27237155; (Z,Z,Z)-9,12,15-Octadecatrienoic acid, methyl ester; cis-9,cis-12,cis-15 Octadecadienoic acid methyl ester; Linolenic acid-methyl ester 10 microg/mL in Acetonitrile; Octadecatrienoic acid methylester, 9,12,15-(Z,Z,Z)-; cis,cis,cis-octadeca-9,12,15-trienoic acid methyl ester; UNII-808DL597QP component DVWSXZIHSUZZKJ-YSTUJMKBSA-N; UNII-XKM7K18LTH component DVWSXZIHSUZZKJ-YSTUJMKBSA-N; CIS-9,CIS-12,CIS-15-OCTADECATRIENOIC ACIDMETHYL ESTER; Methyl linolenate, United States Pharmacopeia (USP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	607759	.	.	.	.	292.5	C19H32O2	26.3	314	6.2	21	0	2	14	"InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-"	CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)OC	DVWSXZIHSUZZKJ-YSTUJMKBSA-N
DG61456	NSC280414	5319944	"[(3aS,5S,5aS,8aR,9S,9aS)-5,8a-dimethyl-1-methylidene-2,4,8-trioxo-5,5a,9,9a-tetrahydro-3aH-azuleno[6,5-b]furan-9-yl] (Z)-2-methylbut-2-enoate; NSC280414; CHEMBL516983; NSC-280414; 2-Butenoic acid, 2,3,3a,4,4a,5,7a,8,9,9a-decahydro-4a,8-dimethyl-3-methylene-2,5,9-trioxoazuleno[6,5-b]furan-4-yl ester, (3a.alpha.,4.alpha.,4a.beta.,7a.alpha.,8.alpha.,9a.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	280414	.	.	.	.	358.4	C20H22O6	86.7	788	2.4	26	0	6	3	"InChI=1S/C20H22O6/c1-6-9(2)18(23)26-17-14-11(4)19(24)25-16(14)15(22)10(3)12-7-8-13(21)20(12,17)5/h6-8,10,12,14,16-17H,4H2,1-3,5H3/b9-6-/t10-,12-,14+,16-,17-,20-/m0/s1"	C/C=C(/C)\\C(=O)O[C@H]1[C@H]2[C@@H](C(=O)[C@H]([C@H]3[C@]1(C(=O)C=C3)C)C)OC(=O)C2=C	YPIMMVOHCVOXKT-CXMZHGGDSA-N
DG61457	Noracronycine	5320199	"Noracronycine; Noracronine; 13161-79-0; 6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one; NSC103005; UNII-O4TQA37UF4; O4TQA37UF4; NSC 103005; CHEMBL509922; SCHEMBL7475179; DTXSID50157139; ZINC5447705; 3,12-Dihydro-6-hydroxy-3,3,12-trimethyl-7H-pyrano(2,3-c)acridin-7-one; NSC-103005; NCI60_000082; 6-hydroxy-3,3,12-trimethyl-pyrano[2,3-c]acridin-7-one; 6-hydroxy-3,3,12-trimethyl-3,12-dihydro-7h-pyrano[2,3-c]acridin-7-one; 3,12-Dihydro-6-hydroxy-3,3,12-trimethyl-7H-pyrano(2,3-c)acridin-7- -one; 7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6-hydroxy-3,3,12-trimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	103005	.	.	.	.	307.3	C19H17NO3	49.8	529	3.9	23	1	4	0	"InChI=1S/C19H17NO3/c1-19(2)9-8-12-15(23-19)10-14(21)16-17(12)20(3)13-7-5-4-6-11(13)18(16)22/h4-10,21H,1-3H3"	CC1(C=CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)C	CBXBWBNEFPNSDO-UHFFFAOYSA-N
DG61458	Osthenol	5320318	"Osthenol; 484-14-0; Ostenol; 7-hydroxy-8-(3-methylbut-2-enyl)chromen-2-one; UNII-7X6RF2708X; 7-hydroxy-8-prenylcoumarin; CHEMBL350475; 7-Hydroxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one; CHEBI:81485; 7X6RF2708X; 2H-1-Benzopyran-2-one, 7-hydroxy-8-(3-methyl-2-butenyl)-; 7-Hydroxy-8-prenylcoumarin; NSC 625328; 8-prenylumbelliferone; SCHEMBL51013; MEGxp0_000219; ACon1_000810; 7-hydroxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one; DTXSID80197508; BCP24741; HY-N2554; ZINC1618130; 7-hydroxy--2H-1-benzopyran-2-one; BDBM50240868; MFCD03427690; NSC625328; AKOS025402390; AC-8807; MCULE-1778235745; NSC-625328; 8-(3-methylbut-2-en-1-yl)umbelliferone; NCI60_007807; 7-hydroxy-8-(3-methyl-but-2-enyl)coumarin; CS-0022826; FT-0777401; C18080; 7-Hydroxy-8-(3-methyl-but-2-enyl)-chromen-2-one; BRD-K53399718-001-01-8; Q27155413; 7-Hydroxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one, 9CI; NCGC00169337-02!7-hydroxy-8-(3-methylbut-2-enyl)chromen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625328	.	.	.	.	230.26	C14H14O3	46.5	353	3.5	17	1	3	2	"InChI=1S/C14H14O3/c1-9(2)3-6-11-12(15)7-4-10-5-8-13(16)17-14(10)11/h3-5,7-8,15H,6H2,1-2H3"	CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)O)C	RAKJVIPCCGXHHS-UHFFFAOYSA-N
DG61459	Penduletin	5320462	"Penduletin; 569-80-2; 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one; 5,4'-Dihydroxy-3,6,7-trimethoxyflavone; CHEMBL165509; 5,4'-Dihydroxy-3,6,7-trimethoxyflavone; 6-Hydroxykaempferol 3,6,7-trimethyl ether; 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-chromen-4-one; SCHEMBL2217068; DTXSID00205437; BDBM50338973; LMPK12112874; NSC659549; ZINC14644952; 5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one; AKOS032948446; NSC-659549; XP161712; 3,6,7-TRIMETHYL-6-HYDROXYKAEMPFEROL; 5,4''-dihydroxy-3,6,7-trimethoxyflavanone; W1676; 5-Hydroxy-2-(4-hydroxy-phenyl)-3,6,7-trimethoxy-chromen-4-one; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-; 5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one #; 2-(4-Hydroxyphenyl)-3,6,7-trimethoxy-5-hydroxy-4H-1-benzopyran-4-one (penduletin)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659549	.	.	.	.	344.3	C18H16O7	94.4	524	3.1	25	2	7	4	"InChI=1S/C18H16O7/c1-22-12-8-11-13(14(20)17(12)23-2)15(21)18(24-3)16(25-11)9-4-6-10(19)7-5-9/h4-8,19-20H,1-3H3"	COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)OC	YSXFFLGRZJWNFM-UHFFFAOYSA-N
DG61460	Candidine	5320815	"Candidine; NSC600586; NSC-600586; Cadinine; CHEMBL503442; SCHEMBL12290061; ZINC102176295; Indolo[2, 6-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-; 6-[(2Z)-3-Oxo-2,3-dihydro-1H-indole-2-ylidene]indolo[2,1-b]quinazoline-12-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600586	.	.	.	.	363.4	C23H13N3O2	61.8	785	3.7	28	1	4	0	"InChI=1S/C23H13N3O2/c27-21-13-7-1-4-10-16(13)24-20(21)19-15-9-3-6-12-18(15)26-22(19)25-17-11-5-2-8-14(17)23(26)28/h1-12,24H/b20-19-"	C1=CC=C2C(=C1)C(=O)/C(=C/3\\C4=CC=CC=C4N5C3=NC6=CC=CC=C6C5=O)/N2	DXENDDMPDZMHSQ-VXPUYCOJSA-N
DG61461	Rhamnazin	5320945	"Rhamnazin; Rhamnacine; 552-54-5; 3',7-Dimethylquercetin; UNII-276CK9GP9Y; 3',7-Di-O-methyl Quercetin; 3,5,4'-Trihydroxy-7,3'-dimethoxyflavone; 7,3'-Dimethylquercetin; 7,3'-Di-O-methylquercetin; 276CK9GP9Y; CHEMBL457148; Flavone, 3,4',5-trihydroxy-3',7-dimethoxy-; 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one; NSC678106; 3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-chromen-4-one; rhamnacene; RHAMNAZIN with HPLC; SCHEMBL39443; quercetin 7,3'-dimethyl ether; Quercetin 3',7-Dimethyl ether; Rhamnazin, >=99% (HPLC); DTXSID00203695; CHEBI:133721; ZINC6403375; BDBM50292355; LMPK12112641; NSC-678106; 3,4'-Trihydroxy-7,3'-dimethoxyflavone; NCI60_027977; C.I. 75700; FT-0667551; 3,7-DIMETHOXY-3',4',5-TRIHYDROXYFLAVONE; Q3116746; 3 inverted exclamation mark ,7-Di-O-methyl Quercetin; 3,5-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-chromen-4-one; 3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-chromen-4-one #; 4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678106	.	.	.	.	330.29	C17H14O7	105	517	2.2	24	3	7	3	"InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-10(18)12(5-8)23-2/h3-7,18-19,21H,1-2H3"	COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)OC)O	MYMGKIQXYXSRIJ-UHFFFAOYSA-N
DG61462	Thunberginol A	5321948	"Thunberginol A; 147666-80-6; 3-(3,4-dihydroxyphenyl)-8-hydroxyisochromen-1-one; 3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one; MLS002473243; CHEMBL68810; SCHEMBL12680535; DTXSID30163773; HMS2271A09; NSC724383; NSC 724383; NSC-724383; NCGC00247502-01; SMR001397330; 3-(3,4-dihydroxyphenyl)-8-hydroxyisocoumarin; Q7798878; 1H-2-Benzopyran-1-one, 3-(3,4-dihydroxyphenyl)-8-hydroxy-; 3-(3,4-dihydroxyphenyl)-8-hydroxyisocoumarin (Thunberginol A)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724383	.	.	.	.	270.24	C15H10O5	87	419	3	20	3	5	1	"InChI=1S/C15H10O5/c16-10-5-4-8(6-12(10)18)13-7-9-2-1-3-11(17)14(9)15(19)20-13/h1-7,16-18H"	C1=CC2=C(C(=C1)O)C(=O)OC(=C2)C3=CC(=C(C=C3)O)O	WHZXJVJVGGWZQI-UHFFFAOYSA-N
DG61463	"5-Hydroxy-3-methylfuro[2,3-f]quinoline-2-carbaldehyde dimethylhydrazone"	5326297	"NSC651003; 5-Hydroxy-3-methylfuro[2,3-f]quinoline-2-carbaldehyde dimethylhydrazone; CHEMBL2002285; NSC-651003; 2-[(E)-(dimethylhydrazono)methyl]-3-methyl-furo[2,3-f]quinolin-5-ol; furo[2,3-f]quinoline-2-carboxaldehyde, 5-hydroxy-3-methyl-, dimethylhydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651003	.	.	.	.	269.3	C15H15N3O2	61.9	374	3.1	20	1	5	2	"InChI=1S/C15H15N3O2/c1-9-11-7-12(19)14-10(5-4-6-16-14)15(11)20-13(9)8-17-18(2)3/h4-8,19H,1-3H3/b17-8+"	CC1=C(OC2=C3C=CC=NC3=C(C=C12)O)/C=N/N(C)C	ITTJUXBHZNDGTR-CAOOACKPSA-N
DG61464	"N-{4-[4-Amino-6-(4-methoxyphenyl)furo[2,3-D]pyrimidin-5-YL]phenyl}-N'-[2-fluoro-5-(trifluoromethyl)phenyl]urea"	5326956	"GW768505A (free base); GW768505A; N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA; 501693-25-0; 1-[4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea; 1-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl}-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea; 1-(4-(4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea; BDBM5815; CHEMBL194911; SCHEMBL14013980; AOB4188; furo[2,3-d]pyrimidine deriv. 7k; ZINC3988862; NSC756332; DB04727; GW-768505A; NSC-756332; NCGC00242057-01; NCGC00242057-04; HY-125741; CS-0093844; 4-amino-5-diarylurea-furo[2,3-d]pyrimidine 2; AB01092335-01; A899728; Q27462538; 3-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl}-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea; N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA; Urea,N-[4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]-N'-[2-fluoro-5-(trifluoromethyl)phenyl]-;GW768505A"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756332	.	.	.	.	537.5	C27H19F4N5O3	115	822	5.4	39	3	10	5	"InChI=1S/C27H19F4N5O3/c1-38-18-9-4-15(5-10-18)23-21(22-24(32)33-13-34-25(22)39-23)14-2-7-17(8-3-14)35-26(37)36-20-12-16(27(29,30)31)6-11-19(20)28/h2-13H,1H3,(H2,32,33,34)(H2,35,36,37)"	COC1=CC=C(C=C1)C2=C(C3=C(N=CN=C3O2)N)C4=CC=C(C=C4)NC(=O)NC5=C(C=CC(=C5)C(F)(F)F)F	FGZIONRFHVNRJB-UHFFFAOYSA-N
DG61465	Erbstatin	5328552	"Erbstatin; 100827-28-9; UNII-WDH83K6T5P; N-[(E)-2-(2,5-dihydroxyphenyl)ethenyl]formamide; FORMAMIDE, N-(2-(2,5-DIHYDROXYPHENYL)ETHENYL)-, (E)-; WDH83K6T5P; NSC610187; MLS000756834; NSC 610187; (E)-N-(2-(2,5-Dihydroxyphenyl)ethenyl)formamide; cid_58035; CHEMBL47986; BDBM3973; SCHEMBL9320673; SCHEMBL9320680; Erbstatin, synthetic non-solvated; REGID_for_CID_5328552; HMS2270A13; NSC606641; AKOS006273458; ZINC100304497; NSC-606641; NSC-610187; NCGC00246858-01; SMR000529090; N-[(E)-2-(2,5-dihydroxyphenyl)vinyl]formamide; Q27292578; Formamide, N-[(1E)-2-(2,5-dihydroxyphenyl)ethenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	610187	.	.	.	.	179.17	C9H9NO3	69.6	193	0.8	13	3	3	2	"InChI=1S/C9H9NO3/c11-6-10-4-3-7-5-8(12)1-2-9(7)13/h1-6,12-13H,(H,10,11)/b4-3+"	C1=CC(=C(C=C1O)/C=C/NC=O)O	SIHZWGODIRRSRA-ONEGZZNKSA-N
DG61466	"(3Z)-2-amino-4-(3,4-dihydroxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile"	5328806	"NSC650563; Tyrphostin AG-114; CHEMBL309334; ZINC18044172; (3Z)-2-amino-4-(3,4-dihydroxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile; NSC-650563; 2-Amino-4-(3,4-dihydroxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650563	.	.	.	.	252.23	C13H8N4O2	138	545	0.5	19	3	6	2	"InChI=1S/C13H8N4O2/c14-5-9(13(17)10(6-15)7-16)3-8-1-2-11(18)12(19)4-8/h1-4,18-19H,17H2/b9-3+"	C1=CC(=C(C=C1/C=C(\\C#N)/C(=C(C#N)C#N)N)O)O	QUSWOXFVFXXENN-YCRREMRBSA-N
DG61467	Semaxanib	5329098	"Semaxanib; SU5416; Semaxinib; SU 5416; 204005-46-9; 194413-58-6; Semoxind; SU-5416; Semaxanib (SU5416); TSU 16; Z-Semaxanib; UNII-71IA9S35AJ; (Z)-3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)indolin-2-one; NSC-696819; (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one; (Z)-SU 5416; 71IA9S35AJ; CHEMBL276711; (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one; 3-(1-(3,5-Dimethyl-1H-pyrrol-2-yl)meth-(Z)-ylidene)-2-oxo-2,3-dihydroindole; 3-((Z)-(3,5-Dimethylpyrrol-2-yl)methylene)-2-indolinone; Semaxnib; Sugen 5416; 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one; (3Z)-3-[(3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLIDENE]-2,3-DIHYDRO-1H-INDOL-2-ONE; Semaxanib(SU5416); SMR000568416; VEGF Receptor 2 Kinase Inhibitor III; TSU-16; SR-01000076044; Semaxanib (USAN/INN); Semaxanib [USAN:INN]; methylene]-2H-indol-2-one; VEGFR2 Kinase Inhibitor III; (Z)-Semaxinib; NCGC00094381-03; 3-(2,4-dimethylpyrrol-5-yl)methylidene-indolin-2-one; NSC 696819; 2x2m; Semaxanib; SU5416; 1,3-Dihydro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-2H-indol-2-one; H-Indol-2-one, 3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-1,3-dihydro-; S 8442; SCHEMBL8190; Lopac0_001110; SCHEMBL19571; 1,3-Dihydro-3-[(3,5-dimethyl-1H-pyrrol-2-yl); MLS001074896; MLS001332519; MLS001332520; BDBM4810; GTPL5056; QCR-86; 3-[(2,4-dimethylpyrrol-5-yl)methylidenyl]indolin-2-one; CHEBI:91083; cid_5329098; AOB6828; BDBM497339; HMS2234L12; HMS3229O13; HMS3263M22; HMS3268J13; HMS3413H10; HMS3648O12; HMS3677H10; AMY10847; BCP06068; EX-A2158; Tox21 111271; Tox21_501110; 2033AH; 2712AH; HSCI1_000303; MFCD01940922; NSC696819; s2845; SU5146; ZINC12410091; AKOS015994557; CCG-205186; CS-1225; DB06436; ES-0010; LP01110; SDCCGSBI-0051079.P003; US11001595, Compound SU5416; NCGC00094381-01; NCGC00094381-02; NCGC00094381-04; NCGC00094381-05; NCGC00094381-19; NCGC00261795-01; HY-10374; QC-11357; SU005416; EU-0101110; SW219791-1; D05819; N11132; A857052; A899499; 2H-Indol-2-one,5-dimethyl-2-pyrrolyl)methylene]-; J-013281; Q7449140; SR-01000076044-2; SR-01000076044-8; BRD-K63504947-001-05-5; 3-[(2,4-Dimethylpyrrol-5-yl)methylidenyl]-2-indolinon; 3-[(2,4-dimethylpyrrol-5-yl)methylidenyl]-2-indolinone; 3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)indolin-2-one; 3-[(2,4-dimethylpyrrol-5-yl)methylidenyl]-indolin-2-one; Semaxanib, Semoxind, TSU-16, NSC-696819, SU-5416; 3-[(3,5-Dimethyl-2H-pyrrol-2-ylidene)methyl]-1H-indol-2-ol; 3-[(3,5-Dimethyl-1H-pyrrol-2-yl)methylene]-1,3-dihydro- 2H-indol-2-one; 3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylene]-1,3-dihydro-2h-indol-2-one; (3Z)-3-[(3,5-Dimethyl-1H-pyrrol-2-yl)methylene]-1,3-dihydro-2H-indol-2-one; 2H-Indol-2-one, 3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-1,3-dihydro-, (3Z)-; 2H-Indol-2-one, 3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-1,3-dihydro-, (Z)-; 2H-Indol-2-one, 3-(3,5-dimethyl-1H-pyrrol-2-yl)methylene)- 1,3-dihydro-, (Z)-; 2H-Indol-2-one,3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-1,3-dihydro-, (3Z)-; 3-[1-(3,5-dimethyl-1h-pyrrol-2-yl)-meth-(z)-ylidene]-2-oxo-2,3-dihydro-indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696819	.	.	.	.	238.28	C15H14N2O	44.9	377	2.5	18	2	1	1	"InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-"	CC1=CC(=C(N1)/C=C\\2/C3=CC=CC=C3NC2=O)C	WUWDLXZGHZSWQZ-WQLSENKSSA-N
DG61468	Tyrphostin AG 808	5329275	"Tyrphostin AG 808; NSC650934; AG-808; Tyrphostin AG-808; Lopac-T-5318; Lopac0_001178; CHEMBL68534; Indole-Containing Inhibitor 5; BDBM5171; Tyrphostin AG 808, >=98%; DTXSID401017668; ZINC3927328; (E)-2-(3,4-dihydroxybenzoyl)-3-(1H-indol-3-yl)prop-2-enenitrile; CCG-205252; NSC-650934; 2-Propenenitrile,4-dihydroxy- benzoyl)-; NCGC00016030-01; NCGC00016030-02; NCGC00016030-03; NCGC00016030-04; NCGC00094433-01; NCGC00094433-02; EU-0101178; T 5318; SR-01000076162; SR-01000076162-1; 2-(3,4-Dihydroxybenzoyl)-3-(1H-indol-3-yl)acrylonitrile; 2-Propenenitrile, 3-(1H-indol-3-yl)-2-(3,4-dihydroxy- benzoyl)-; 2-Cyano-3-(3',4'-dihydroxyphenyl)-1-(3'-indolyl)-3-oxo-1-propene; (2E)-2-[(3,4-dihydroxyphenyl)carbonyl]-3-(1H-indol-3-yl)prop-2-enenitrile; (alphaE)-3,4-Dihydroxy-alpha-(1H-indol-3-ylmethylene)-beta-oxobenzenepropanenitrile; 160953-95-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650934	.	.	.	.	304.3	C18H12N2O3	97.1	536	3	23	3	4	3	"InChI=1S/C18H12N2O3/c19-9-12(18(23)11-5-6-16(21)17(22)8-11)7-13-10-20-15-4-2-1-3-14(13)15/h1-8,10,20-22H/b12-7+"	C1=CC=C2C(=C1)C(=CN2)/C=C(\\C#N)/C(=O)C3=CC(=C(C=C3)O)O	TTZDOBVWBQXGDC-KPKJPENVSA-N
DG61469	6-Thiazolylquinazoline 1	5329475	"GW461104A; 6-Thiazolylquinazoline 1; BDBM5439; CHEMBL516375; GW461104B; NSC756247; NSC-756247; NCGC00241966-01; AB01092191-01; N-(3-chloro-4-fluorophenyl)-6-(2-{[(2-methanesulfonylethyl)amino]methyl}-1,3-thiazol-4-yl)quinazolin-4-amine; N-(3-Chloro-4-fluorophenyl)-6-[2-[[2-(methylsulfonyl)ethylamino]methyl]-4-thiazolyl]quinazoline-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756247	.	.	.	.	492	C21H19ClFN5O2S2	134	715	3.6	32	2	9	8	"InChI=1S/C21H19ClFN5O2S2/c1-32(29,30)7-6-24-10-20-28-19(11-31-20)13-2-5-18-15(8-13)21(26-12-25-18)27-14-3-4-17(23)16(22)9-14/h2-5,8-9,11-12,24H,6-7,10H2,1H3,(H,25,26,27)"	CS(=O)(=O)CCNCC1=NC(=CS1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl	BNEUQUONQBLCSG-UHFFFAOYSA-N
DG61470	6-Thiazolylquinazoline 4	5329478	"6-Thiazolylquinazoline 4; GW569530A; BDBM5442; CHEMBL505970; SCHEMBL2098930; NSC756258; NSC-756258; NCGC00242145-01; AB01092192-01; 6-(2-{[(2-methanesulfonylethyl)amino]methyl}-1,3-thiazol-4-yl)-N-(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)quinazolin-4-amine; N-[4-[3-(Trifluoromethyl)benzyloxy]phenyl]-6-[2-[[2-(methylsulfonyl)ethylamino]methyl]-4-thiazolyl]quinazoline-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756258	.	.	.	.	613.7	C29H26F3N5O3S2	143	948	5.2	42	2	12	11	"InChI=1S/C29H26F3N5O3S2/c1-42(38,39)12-11-33-15-27-37-26(17-41-27)20-5-10-25-24(14-20)28(35-18-34-25)36-22-6-8-23(9-7-22)40-16-19-3-2-4-21(13-19)29(30,31)32/h2-10,13-14,17-18,33H,11-12,15-16H2,1H3,(H,34,35,36)"	CS(=O)(=O)CCNCC1=NC(=CS1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC(=CC=C5)C(F)(F)F	OOURSYCFPYHWPU-UHFFFAOYSA-N
DG61471	6-Alkoxy-4-anilinoquinazoline 8b	5329489	GW680191X; 6-alkoxy-4-anilinoquinazoline 8b; BDBM5456; CHEMBL517907; HMS3303J19; HMS3305G16; NSC756306; NSC-756306; NCGC00242149-01; AB01092406-01; 4-(3-Ethynylphenylamino)-6-[4-[2-(methylsulfonyl)ethylamino]butoxy]quinazoline; N-(3-ethynylphenyl)-6-{4-[(2-methanesulfonylethyl)amino]butoxy}quinazolin-4-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756306	.	.	.	.	438.5	C23H26N4O3S	102	687	3.3	31	2	7	12	"InChI=1S/C23H26N4O3S/c1-3-18-7-6-8-19(15-18)27-23-21-16-20(9-10-22(21)25-17-26-23)30-13-5-4-11-24-12-14-31(2,28)29/h1,6-10,15-17,24H,4-5,11-14H2,2H3,(H,25,26,27)"	CS(=O)(=O)CCNCCCCOC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C	WLLKPDBSPXZCTG-UHFFFAOYSA-N
DG61472	1-[4-[methyl-[2-[(3-Sulfamoylphenyl)amino]pyrimidin-4-Yl]amino]phenyl]-3-[4-(Trifluoromethyloxy)phenyl]urea	5329829	"GW806742X; 579515-63-2; 1-[4-[methyl-[2-[(3-Sulfamoylphenyl)amino]pyrimidin-4-Yl]amino]phenyl]-3-[4-(Trifluoromethyloxy)phenyl]urea; 1-[4-[methyl-[2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea; 3-((4-(methyl(4-(3-(4-(trifluoromethoxy)phenyl)ureido)phenyl)amino)pyrimidin-2-yl)amino)benzenesulfonamide; urea deriv. 23; MLKL compound 1; BDBM5832; CHEMBL188381; GTPL9513; SCHEMBL4813162; C25H22F3N7O4S; SYN1215; HMS3303M11; HMS3305G22; BCP29591; EX-A1843; ZINC3925087; NSC756366; AKOS037643420; NSC-756366; compound 23 [PMID: 15990302]; NCGC00242042-01; NCGC00242042-02; AS-16342; HY-112292; CS-0044745; GW806742X, >=98% (HPLC); E73432; AB01092217-01; A899794; GW-806742X;GW 806742X;MLKL compound 1; 3-{4-[methyl({2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl})amino]phenyl}-1-[4-(trifluoromethoxy)phenyl]urea; 6UX"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756366	.	.	.	.	573.5	C25H22F3N7O4S	160	922	4.4	40	4	12	8	"InChI=1S/C25H22F3N7O4S/c1-35(22-13-14-30-23(34-22)31-18-3-2-4-21(15-18)40(29,37)38)19-9-5-16(6-10-19)32-24(36)33-17-7-11-20(12-8-17)39-25(26,27)28/h2-15H,1H3,(H2,29,37,38)(H,30,31,34)(H2,32,33,36)"	CN(C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N	SNRUTMWCDZHKKM-UHFFFAOYSA-N
DG61473	Urea deriv. 25	5329831	"GW809897X; urea deriv. 25; BDBM5834; CHEMBL189353; SCHEMBL13980561; HMS3303A21; HMS3305I10; NSC756371; NSC-756371; NCGC00242171-01; AB01092218-01; 1-(2,6-dichlorophenyl)-3-{4-[(2-{[3-(methanesulfonylmethyl)phenyl]amino}pyrimidin-4-yl)(methyl)amino]phenyl}urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756371	.	.	.	.	571.5	C26H24Cl2N6O3S	125	860	5.1	38	3	7	8	"InChI=1S/C26H24Cl2N6O3S/c1-34(20-11-9-18(10-12-20)31-26(35)33-24-21(27)7-4-8-22(24)28)23-13-14-29-25(32-23)30-19-6-3-5-17(15-19)16-38(2,36)37/h3-15H,16H2,1-2H3,(H,29,30,32)(H2,31,33,35)"	CN(C1=CC=C(C=C1)NC(=O)NC2=C(C=CC=C2Cl)Cl)C3=NC(=NC=C3)NC4=CC=CC(=C4)CS(=O)(=O)C	NXPQZPWXVHIWGN-UHFFFAOYSA-N
DG61474	"N-(2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine"	5329844	"GW577921A; 2-Anilino-5-aryloxazole 9; N-(2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine; BDBM5848; CHEMBL194027; SCHEMBL5232183; NSC756269; NSC-756269; NCGC00242189-01; AB01092075-01; N-(2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756269	.	.	.	.	266.29	C16H14N2O2	47.3	294	3.8	20	1	4	4	"InChI=1S/C16H14N2O2/c1-19-14-10-6-5-9-13(14)18-16-17-11-15(20-16)12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18)"	COC1=CC=CC=C1NC2=NC=C(O2)C3=CC=CC=C3	DLHCYJIQXKETIN-UHFFFAOYSA-N
DG61475	"N-(3,5-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine"	5329853	"GW631581B; 2-Anilino-5-aryloxazole 18; BDBM5857; CHEMBL176553; SCHEMBL5478552; N-(3,5-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine; HMS3303A22; HMS3305H07; NSC756290; NSC-756290; NCGC00242187-01; AB01092082-01; N-(3,5-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756290	.	.	.	.	296.32	C17H16N2O3	56.5	324	3.8	22	1	5	5	"InChI=1S/C17H16N2O3/c1-20-14-8-13(9-15(10-14)21-2)19-17-18-11-16(22-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19)"	COC1=CC(=CC(=C1)NC2=NC=C(O2)C3=CC=CC=C3)OC	RKNRDRPDYXCRPG-UHFFFAOYSA-N
DG61476	"5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine"	5329854	"GW627512B; 2-Anilino-5-aryloxazole 19; BDBM5858; CHEMBL443563; SCHEMBL5477421; 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine; HMS3303G23; HMS3305H15; NSC756287; NSC-756287; NCGC00242209-01; AB01092080-01; N-(3,4,5-Trimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756287	.	.	.	.	326.3	C18H18N2O4	65.8	364	3.8	24	1	6	6	"InChI=1S/C18H18N2O4/c1-21-14-9-13(10-15(22-2)17(14)23-3)20-18-19-11-16(24-18)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,20)"	COC1=CC(=CC(=C1OC)OC)NC2=NC=C(O2)C3=CC=CC=C3	CKYLEUNHWFIYOR-UHFFFAOYSA-N
DG61477	2-Anilino-5-aryloxazole 20	5329855	"GW572401X; 2-Anilino-5-aryloxazole 20; BDBM5859; CHEMBL275473; SCHEMBL5469333; HMS3303P03; HMS3305K13; NSC756260; NSC-756260; NCGC00241935-01; AB01092073-01; N,N-Diethyl-4-methoxy-3-[(5-phenyl-1,3-oxazol-2-yl)-amino]benzenesulfonamide; N,N-diethyl-4-methoxy-3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzene-1-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756260	.	.	.	.	401.5	C20H23N3O4S	93	573	3.7	28	1	7	8	"InChI=1S/C20H23N3O4S/c1-4-23(5-2)28(24,25)16-11-12-18(26-3)17(13-16)22-20-21-14-19(27-20)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3,(H,21,22)"	CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC=CC=C3	IXAUVBHKVRFJHO-UHFFFAOYSA-N
DG61478	2-Anilino-5-aryloxazole 27	5329860	"GW580509X; 2-Anilino-5-aryloxazole 27; BDBM5864; CHEMBL179311; SCHEMBL5469604; HMS3303O16; HMS3305A02; NSC756272; NSC-756272; NCGC00242122-01; AB01092076-01; 5-(3-Methoxyphenyl)-N-[5-(ethylsulfonyl)-2-methoxyphenyl]-1,3-oxazol-2-amine; N-[5-(ethanesulfonyl)-2-methoxyphenyl]-5-(3-methoxyphenyl)-1,3-oxazol-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756272	.	.	.	.	388.4	C19H20N2O5S	99	567	3.4	27	1	7	7	"InChI=1S/C19H20N2O5S/c1-4-27(22,23)15-8-9-17(25-3)16(11-15)21-19-20-12-18(26-19)13-6-5-7-14(10-13)24-2/h5-12H,4H2,1-3H3,(H,20,21)"	CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC(=CC=C3)OC	GOGIUMBXFRNDRK-UHFFFAOYSA-N
DG61479	2-Anilino-5-aryloxazole 28	5329861	"GW621970X; 2-Anilino-5-aryloxazole 28; BDBM5865; CHEMBL179465; SCHEMBL5476250; HMS3303F23; HMS3305F15; NSC756285; NSC-756285; NCGC00242208-01; AB01092078-01; 5-(3-Fluorophenyl)-N-[5-(ethylsulfonyl)-2-methoxyphenyl]-1,3-oxazol-2-amine oxalate; N-[5-(ethanesulfonyl)-2-methoxyphenyl]-5-(3-fluorophenyl)-1,3-oxazol-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756285	.	.	.	.	376.4	C18H17FN2O4S	89.8	556	3.6	26	1	7	6	"InChI=1S/C18H17FN2O4S/c1-3-26(22,23)14-7-8-16(24-2)15(10-14)21-18-20-11-17(25-18)12-5-4-6-13(19)9-12/h4-11H,3H2,1-2H3,(H,20,21)"	CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC(=CC=C3)F	VKLQCYYJIRWXHJ-UHFFFAOYSA-N
DG61480	"1-[3-(2-{[5-(Ethylsulfonyl)-2-methoxyphenyl]amino}-1,3-oxazol-5-yl)phenyl]ethanone"	5329868	"GW621431X; 1-[3-(2-{[5-(ethylsulfonyl)-2-methoxyphenyl]amino}-1,3-oxazol-5-yl)phenyl]ethanone; 2-Anilino-5-aryloxazole 36; BDBM5872; CHEMBL191705; SCHEMBL5186175; HMS3303F24; HMS3305C07; NSC756283; NSC-756283; NCGC00242224-01; AB01092077-01; 1-[3-(2-{[5-(ethanesulfonyl)-2-methoxyphenyl]amino}-1,3-oxazol-5-yl)phenyl]ethan-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756283	.	.	.	.	400.4	C20H20N2O5S	107	635	3.1	28	1	7	7	"InChI=1S/C20H20N2O5S/c1-4-28(24,25)16-8-9-18(26-3)17(11-16)22-20-21-12-19(27-20)15-7-5-6-14(10-15)13(2)23/h5-12H,4H2,1-3H3,(H,21,22)"	CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC(=CC=C3)C(=O)C	QCQOWGLVUUYDQD-UHFFFAOYSA-N
DG61481	2-Anilino-5-aryloxazole 44	5329875	"GW678313X; 2-Anilino-5-aryloxazole 44; BDBM5880; CHEMBL372474; SCHEMBL5469735; HMS3303E01; HMS3305B23; NSC756304; NSC-756304; NCGC00241893-01; AB01092085-01; N-[5-(ethanesulfonyl)-2-methoxyphenyl]-5-[3-(2-fluorophenyl)phenyl]-1,3-oxazol-2-amine; N-[5-(Ethylsulfonyl)-2-methoxyphenyl]-5-(2 -fluoro-1,1 -biphenyl-3-yl)-1,3-oxazol-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756304	.	.	.	.	452.5	C24H21FN2O4S	89.8	703	5.2	32	1	7	7	"InChI=1S/C24H21FN2O4S/c1-3-32(28,29)18-11-12-22(30-2)21(14-18)27-24-26-15-23(31-24)17-8-6-7-16(13-17)19-9-4-5-10-20(19)25/h4-15H,3H2,1-2H3,(H,26,27)"	CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC=CC(=C3)C4=CC=CC=C4F	DOKIBWCVABZHOH-UHFFFAOYSA-N
DG61483	"2,3-Dimethoxy-7,12-dihydro-9-nitroindolo[3,2-d][1]benzazepine-6(5H)-one"	5331104	"NSC709125; 2,3-dimethoxy-9-nitropaullone; BDBM7264; CHEMBL331190; SCHEMBL5688883; NSC 709125; NSC-709125; NCI60_038542; 2,3-Dimethoxy-7,12-dihydro-9-nitroindolo[3,2-d][1]benzazepine-6(5H)-one; 4,5-dimethoxy-14-nitro-8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709125	.	.	.	.	353.3	C18H15N3O5	109	568	2.3	26	2	5	2	"InChI=1S/C18H15N3O5/c1-25-15-6-12-14(8-16(15)26-2)19-17(22)7-11-10-5-9(21(23)24)3-4-13(10)20-18(11)12/h3-6,8,20H,7H2,1-2H3,(H,19,22)"	COC1=C(C=C2C(=C1)C3=C(CC(=O)N2)C4=C(N3)C=CC(=C4)[N+](=O)[O-])OC	KYRQRRGDKAIFMA-UHFFFAOYSA-N
DG61484	Pyr-41	5335621	"PYR-41; 418805-02-4; PYR 41; PYR41; ethyl 4-(4-((5-nitrofuran-2-yl)methylene)-3,5-dioxopyrazolidin-1-yl)benzoate; ethyl 4-[(4Z)-4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate; C17H13N3O7; AKOS002343406; PYR-4; SCHEMBL8244763; CHEMBL2322201; AKL-PFC-523155; AOB3015; DTXSID30416554; BDBM512988; Ubiquitin E1 Inhibitor, PYR-41; BCP10065; Benzoic acid, 4-[4-[(5-nitro-2-furanyl)methylene]-3,5-dioxo-1-pyrazolidinyl]-, ethyl ester; EX-A2145; ZINC5009986; MFCD01469983; NSC746131; s7129; AKOS000542559; ACN-028911; CCG-268305; CS-1724; NSC-746131; BS-17055; HY-13296; SW220249-1; Y1866; SR-01000215370; SR-01000215370-1; Q18385814; 4-(4-(5-Nitro-furan-2-ylmethylene)-3,5-dioxo-pyrazolidin-1-yl)-benzoic acid ethyl ester; 4[4-((5-Nitrofuran-2-yl)methylene)-3,5-dioxopyrazolidin-1-yl]benzoic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746131	.	.	.	.	371.3	C17H13N3O7	135	664	2.3	27	1	7	5	"InChI=1S/C17H13N3O7/c1-2-26-17(23)10-3-5-11(6-4-10)19-16(22)13(15(21)18-19)9-12-7-8-14(27-12)20(24)25/h3-9H,2H2,1H3,(H,18,21)/b13-9-"	CCOC(=O)C1=CC=C(C=C1)N2C(=O)/C(=C\\C3=CC=C(O3)[N+](=O)[O-])/C(=O)N2	ARGIPZKQJGFSGQ-LCYFTJDESA-N
DG61485	Nifuroxazide	5337997	"Nifuroxazide; 965-52-6; Nifuroxazid; Dicoferin; Diarlidan; UNII-PM5LI0P38J; PM5LI0P38J; MLS000069620; Ercefuryl; BENZOIC ACID, p-HYDROXY-, (5-NITROFURFURYLIDENE)HYDRAZIDE; NSC-759261; Nifuroxazida; Nifuroxazidum; 4-hydroxy-N-[(E)-(5-nitro-2-furyl)methyleneamino]benzamide; Ercefurol; RC-27109; SMR000058185; 4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide; 4-Hydroxy-N'-((5-nitrofuran-2-yl)methylene)benzohydrazide; Benzoic acid, 4-hydroxy-, 2-[(5-nitro-2-furanyl)methylene]hydrazide; Nifuroxazidum [INN-Latin]; Nifuroxazida [INN-Spanish]; CCRIS 5490; RC 27109; p-Hydroxybenzoic acid (5-nitrofurfurylidene)hydrazide; R.C. 27-109; EINECS 213-522-0; BRN 1352180; Diaryl; Nifuroxazide [INN:BAN:DCF]; MFCD00079482; 4-Hydroxy-N'-(5-nitrofurfuryliden)benzhydrazid; Prestwick_874; (Nitro-5' furfurylidene-2') hydroxy-4 benzhydrazide; Nifuroxazide (INN); Opera_ID_40; (Nitro-5' furfurylidene-2') hydroxy-4 benzhydrazide [French]; Prestwick2_000555; Prestwick3_000555; BSPBio_000629; SCHEMBL542542; SCHEMBL543480; p-Hydroxybenzoic acid 5-nitrofurfurylidene hydrazide; BPBio1_000693; CHEMBL244888; SCHEMBL14608895; CHEBI:94556; CHEBI:135136; HMS1569P11; HMS2096P11; HMS3713P11; Pharmakon1600-01505788; HY-B1436; ZINC7997719; BDBM50396177; NSC759261; s4182; STK091243; STL454990; AKOS000483758; AC-8713; CCG-213989; CS-4918; DB13855; NSC 759261; AS-13310; H868; BIM-0014420.P001; SBI-0014420.P002; AB00513861; SJ000287313; D07111; AB00513861_02; AB00513861_03; Nifuroxazide, VETRANAL(TM), analytical standard; 4-hydroxy-2'-(5-nitrofurfurylidene)benzohydrazide; 965N526; A845610; W-100139; BRD-K68188368-001-03-7; 4-Dydroxy-N-[(E)-(5-nitro-2-furyl)methyleneamino]benzamide; 4-hydroxy-N'-[(1E)-(5-nitro-2-furyl)methylene]benzohydrazide; Nifuroxazide, European Pharmacopoeia (EP) Reference Standard; 4-hydroxy-N'-[(E)-(5-nitrofuran-2-yl)methylidene]benzohydrazide; 4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylidene]benzenecarbohydrazonic acid; Benzoic acid, 4-hydroxy-, [(1E)-(5-nitro-2-furanyl)methylene]hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759261	.	.	.	.	275.22	C12H9N3O5	121	387	2.1	20	2	6	3	"InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+"	C1=CC(=CC=C1C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])O	YCWSUKQGVSGXJO-NTUHNPAUSA-N
DG61486	"1-benzyl-1H-indole-3-carbaldehyde 3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazone"	5341790	"NSC717556; CHEMBL1979761; CCG-2860; STK756791; AKOS001709351; MCULE-1106725008; NSC-717556; 1-benzyl-1H-indole-3-carbaldehyde 3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazone; 1-benzyl-3-[(E)-{2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene}methyl]-1H-indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717556	.	.	.	.	465.4	C23H14F7N3	29.3	653	6.5	33	1	9	5	"InChI=1S/C23H14F7N3/c24-18-17(23(28,29)30)19(25)21(27)22(20(18)26)32-31-10-14-12-33(11-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-10,12,32H,11H2/b31-10+"	C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=N/NC4=C(C(=C(C(=C4F)F)C(F)(F)F)F)F	ZXFISPMCGIULDV-VNTWQREPSA-N
DG61487	(E)-3-(2-chloro-5-nitrophenyl)-1-phenylprop-2-en-1-one	5349234	(E)-3-(2-chloro-5-nitrophenyl)-1-phenylprop-2-en-1-one; 29368-41-0; NSC93287; ZINC5112488; NSC-93287; AKOS005154365	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93287	.	.	.	.	287.7	C15H10ClNO3	62.9	385	3.7	20	0	3	3	InChI=1S/C15H10ClNO3/c16-14-8-7-13(17(19)20)10-12(14)6-9-15(18)11-4-2-1-3-5-11/h1-10H/b9-6+	C1=CC=C(C=C1)C(=O)/C=C/C2=C(C=CC(=C2)[N+](=O)[O-])Cl	NCMCPJIKYTWGOK-RMKNXTFCSA-N
DG61488	Lambdamycin	5351130	"Lambdamycin; NSC5159; MLS002701890; NSC 5159; X 465A; SMR001565476; NSC-5159; U-7257; Neuro_000004; MLS003559964; SCHEMBL973724; CHEMBL357992; AKOS004902212; 6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[h]chromeno[5,4,3-cde]chromen-10-yl 6-deoxy-2-O-(6-deoxy-3-O-methylhexopyranosyl)hexopyranoside; 6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[h]chromeno[5,4,3-cde]chromen-10-yl 6-deoxy-2-O-(6-deoxy-3-O-methylhexopyranosyl)hexopyranoside #; Benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((6-deoxy-2-O-(6-deoxy-3-O-methyl-.alpha.-D-galactopyranosyl)-.beta.-D-galactopyranosyl)oxy)-6-hydroxy-1-methyl-; Benzo[h][1]benzopyrano[5,3-cde][1]benzopyran-5,12-dione, 10-[[6-deoxy-2-O-(6-deoxy-3-O-methyl-.alpha.-D-galactopyranosyl)-.beta.-D-galactopyranosyl]oxy]-6-hydroxy-1-methyl-; WLN: T B66 K666 2AB T HVO SVOJ F1 QQ LO- BT6OTJ DQ EQ F1 CO- BT6OTJ CQ DO1 EQ F1; WLN: T B66 K666 2AB T HVO SVOJ F1 QQ LO- BT6OTJ DQ EQ F1 CO- BT6OTJ CQ DO1 EQ F1 &QH 2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5159	.	.	.	.	640.6	C32H32O14	200	1150	2.1	46	5	14	5	"InChI=1S/C32H32O14/c1-10-8-9-15-18-16(10)29(38)45-26-17-13(23(35)20(19(18)26)30(39)43-15)6-5-7-14(17)44-32-28(24(36)21(33)11(2)42-32)46-31-25(37)27(40-4)22(34)12(3)41-31/h5-9,11-12,21-22,24-25,27-28,31-37H,1-4H3"	CC1C(C(C(C(O1)OC2=CC=CC3=C2C4=C5C6=C(C=CC(=C6C(=O)O4)C)OC(=O)C5=C3O)OC7C(C(C(C(O7)C)O)OC)O)O)O	PONPPNYZKHNPKZ-UHFFFAOYSA-N
DG61489	Quinacrine hydrochloride	5351141	"Quinacrine hydrochloride; 130-42-7; Mepacrine hydrochloride; Chemiochin; Malaricida; Methoquine; Atebrine; Crinodora; Italchin; Metochin; Metoquin; Metoquine; Palacrin; Palusan; Pentilen; Mecryl; Atabrine hydrochloride; N4-(6-Chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine hydrochloride; NSC14229; Atebrin hydrochloride; Chinacrin hydrochloride; Atabrine dihydrochloride; acrichine; Mepacrine HCl; SN 390; 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;hydrochloride; 866 R.P.; S.N. 390; NSC-757307; Arichin; EINECS 204-989-1; RP 866; 6-Chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxyacridine dihydrochloride; SCHEMBL33693; QUINACRINEDIHYDROCHLORIDE; CHEMBL556980; DTXSID40926553; Quinacrine dihydrochloride mustard; Pharmakon1600-01500522; NSC-14229; NSC757307; 1,4-Pentanediamine, N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-, monohydrochloride; NCGC00180899-01; FT-0631298; WLN: T C666 BNJ EG IMY1&3N2&2 LO1 &GH 2; 1, N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-, dihydrochloride; 2-Methoxy-6-chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]acridine dihydrochloride; 3-Chloro-7-methoxy-9-[1-methyl-4-(diethylamino)butylamino]acridine dihydrochloride; 3-Chloro-9-[4'-(diethylamino)-1'-methylbutyl]amino]-7-methoxyacridine dihydrochloride; Acridine, 6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxy-, monohydrochloride; 2-Chloro-5-[[.omega.-(diethylamino)-.alpha.-methylbutyl)amino]-7-methoxyacridine dihydrochloride; 4-[(6-Chloro-2-methoxyacridin-9(10H)-ylidene)amino]-N,N-diethylpentan-1-amine--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14229	.	.	.	.	436.4	C23H31Cl2N3O	37.4	461	.	29	2	4	9	"InChI=1S/C23H30ClN3O.ClH/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23;/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26);1H"	CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl	UKZANTJXIMWQCH-UHFFFAOYSA-N
DG61490	Ethyl-(2-hydroxyethyl)-[2-[(4-methyl-9-oxothioxanthen-1-yl)amino]ethyl]azanium;chloride	5351147	NSC20534	.	.	Investigative Drug(s)	Investigative	Small molecular drug	20534	.	.	.	.	392.9	C20H25ClN2O2S	79.1	447	.	26	3	5	7	"InChI=1S/C20H24N2O2S.ClH/c1-3-22(12-13-23)11-10-21-16-9-8-14(2)20-18(16)19(24)15-6-4-5-7-17(15)25-20;/h4-9,21,23H,3,10-13H2,1-2H3;1H"	CC[NH+](CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)CCO.[Cl-]	VKQTYHPWQVLGSK-UHFFFAOYSA-N
DG61491	"1-Piperidineethanol, alpha-[p-(p-chlorostyryl)phenyl]-"	5351150	"NSC26040; CHEMBL1982916; CCG-36002; NSC-26040; 1-Piperidineethanol, .alpha.-[p-(p-chlorostyryl)phenyl]-; 1-Piperidineethanol, .alpha.[4-[2-(4-chlorophenyl)ethenyl]phenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26040	.	.	.	.	341.9	C21H24ClNO	23.5	377	4.9	24	1	2	5	"InChI=1S/C21H24ClNO/c22-20-12-8-18(9-13-20)5-4-17-6-10-19(11-7-17)21(24)16-23-14-2-1-3-15-23/h4-13,21,24H,1-3,14-16H2/b5-4+"	C1CCN(CC1)CC(C2=CC=C(C=C2)/C=C/C3=CC=C(C=C3)Cl)O	QJUBRQLMPOZVNB-SNAWJCMRSA-N
DG61492	"Naphtho[2, 7-methyl-chloride"	5351151	"NSC28002; CHEMBL1982729; Naphtho[2, 7-methyl- chloride; Naphtho[2, 7-methyl-, chloride; NSC-28002"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	28002	.	.	.	.	279.8	C18H14ClN	4.1	326	.	20	0	1	0	"InChI=1S/C18H14N.ClH/c1-13-15-10-9-14-6-2-3-7-16(14)17(15)12-19-11-5-4-8-18(13)19;/h2-12H,1H3;1H/q+1;/p-1"	CC1=C2C=CC3=CC=CC=C3C2=C[N+]4=CC=CC=C14.[Cl-]	OAEOGZIDLGRMNN-UHFFFAOYSA-M
DG61493	2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine;chloride	5351153	7059-23-6; 2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine;chloride; NSC32946	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32946	.	.	.	.	219.66	C5H12ClN8-	154	264	.	14	4	5	3	"InChI=1S/C5H12N8.ClH/c1-3(11-13-5(8)9)2-10-12-4(6)7;/h2H,1H3,(H4,6,7,12)(H4,8,9,13);1H/p-1/b10-2+,11-3+;"	C/C(=N\\N=C(N)N)/C=N/N=C(N)N.[Cl-]	RRECQJYPJNWFNK-BCKSSGNJSA-M
DG61494	Cryptocyanine	5351156	"Cryptocyanine; 4727-50-8; Cryptocyanin; 1,1'-Diethyl-4,4'-carbocyanine iodide; Kryptocyanine; Cryptocyanine iodide; Kryptocyanin; Kryptocyanine iodide; 1,1'-Diethyl-4,4'-quinocarbocyanine iodide; 1,1-DIETHYL-4,4-CARBOCYANINE IODIDE; 1-Ethyl-4-(3-(1-ethylquinolin-4(1H)-ylidene)prop-1-en-1-yl)quinolin-1-ium iodide; 1,1'-Diethylquino-(4)-carbocyanine iodide; (4E)-1-ethyl-4-[(Z)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline;iodide; 1-ethyl-4-[3-(1-ethylquinolin-4(1H)-ylidene)prop-1-en-1-yl]quinolinium iodide; CHEBI:51502; NSC34391; 1,1'-Diethyl-4,4'-carbocyanine iodide, 96%; C25H25N2.I; 6723AF; MFCD00011970; (4E)-1-ethyl-4-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline iodide; BS-44005; 1,1-DIETHYL-4,4-CARBOCYANINEIODIDE; C17880; A828423; Q27122634; (4E)-1-ethyl-4-[(E)-3-(1-ethyl-4-quinolin-1-iumyl)prop-2-enylidene]quinoline iodide; 1-ethyl-4-((1E,3E)-3-(1-ethylquinolin-4(1H)-ylidene)prop-1-enyl)quinolinium iodide; 1-ethyl-4-{(e)-3-[1-ethyl-4(1h)-quinolinylidene]-1-propenyl}quinolinium iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34391	.	.	.	.	480.4	C25H25IN2	7.1	527	.	28	0	2	4	"InChI=1S/C25H25N2.HI/c1-3-26-18-16-20(22-12-5-7-14-24(22)26)10-9-11-21-17-19-27(4-2)25-15-8-6-13-23(21)25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1"	CCN1C=C/C(=C\\C=C\\C2=CC=[N+](C3=CC=CC=C23)CC)/C4=CC=CC=C41.[I-]	CEJANLKHJMMNQB-UHFFFAOYSA-M
DG61495	2-[2-Oxo-2-(phenanthren-3-yl)ethyl]isoquinolin-2-ium iodide	5351160	NSC35489; 7401-24-3; MLS002703061; NSC-35489; CHEMBL1976248; DTXSID60995307; 2-[2-Oxo-2-(phenanthren-3-yl)ethyl]isoquinolin-2-ium iodide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35489	.	.	.	.	475.3	C25H18INO	21	530	.	28	0	2	3	"InChI=1S/C25H18NO.HI/c27-25(17-26-14-13-18-5-1-2-7-22(18)16-26)21-12-11-20-10-9-19-6-3-4-8-23(19)24(20)15-21;/h1-16H,17H2;1H/q+1;/p-1"	C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC4=C(C=CC5=CC=CC=C54)C=C3.[I-]	VANVCPSLXZARBM-UHFFFAOYSA-M
DG61496	Rhaponticine	5351164	"Rhaponticine; NSC43321; 2-[3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol; 3,3',5-Trihydroxy-4'-methoxystilbene 3-O-b-D-glucoside; Rhapontigenin, 3-.beta.-D-glucopyranoside; NSC 43321; CHEMBL1987358; SCHEMBL14027192; (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol; NSC-43321; Glucopyranoside, rhapontigenin-3, .beta.-D-; 4'-Methoxy-3,3',5-stilbenetriol-3-.beta.-D-glucopyranoside; .beta.-D-Glucopyranoside, 3-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenyl; .beta.-D-Glucopyranoside, 3-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenyl, (E)-; 3-Hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenyl-.beta.-D-glucopyranoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43321	.	.	.	.	420.4	C21H24O9	149	559	0.5	30	6	9	6	"InChI=1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+"	COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O	GKAJCVFOJGXVIA-NSCUHMNNSA-N
DG61497	"Phenothiazine, disuccinate"	5351168	"NSC46061; MLS002702852; NSC-46061; Phenothiazine, disuccinate; CHEMBL1726794; CCG-35399; SMR001566674; Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-, disuccinate; Butanedioic acid, compd. with 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine (2:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	46061	.	.	.	.	525.6	C25H30F3N3O4S	110	602	.	36	2	11	7	"InChI=1S/C21H24F3N3S.C4H6O4/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;5-3(6)1-2-4(7)8/h2-3,5-8,15H,4,9-14H2,1H3;1-2H2,(H,5,6)(H,7,8)"	CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.C(CC(=O)O)C(=O)O	JMZPVBWHQMLKEL-UHFFFAOYSA-N
DG61498	Cylocide	5351180	"Cylocide; 69-74-9; Cytosar hydrochloride; NSC63878; Arabitin hydrochloride; Aracytin hydrochloride; Aracytidine hydrochloride; Cytosine, monohydrochloride; Arabinosylcytosine hydrochloride; Arabinosyl cytosine hydrochloride; Arabinofuranosylcytosine hydrochloride; MLS002702869; 21028-03-5; AC 1075; Arabinosylcytosin; U 19920; NSC-63878; Cytosine, hydrochloride; Ara-cytidine hydrochloride; Cytosine, monhydrochloride; Spongocytidine-hydrochloride; SCHEMBL331331; CHEMBL1978548; DTXSID20943324; NSC143922; NSC526786; CYTOSINEARABINOSIDEHYDROCHLORIDE; 2(1H)-Pyrimidinone, 4-amino-1-.beta.-D-arabinofuranosyl-, monohydrochloride; AKOS024307453; MCULE-6553396056; NSC-143922; NSC-526786; LS-13662; Cytosine  -D-arabinofuranoside hydrochloride; FT-0631299; 1.beta.-D-Arabinofuranosylcytosine hydrochloride; A836632; 1.beta.-D-Arabinofuranosylcytosine monohydrochloride; 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone hydrochloride; 4-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidin-2-one hydrochloride; 4-Imino-1-pentofuranosyl-1,4-dihydropyrimidin-2-ol--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	63878	.	.	.	.	279.68	C9H14ClN3O5	129	383	.	18	5	5	2	"InChI=1S/C9H13N3O5.ClH/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);1H"	C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O.Cl	KCURWTAZOZXKSJ-UHFFFAOYSA-N
DG61499	Spermine hydrochloride	5351186	"Spermine hydrochloride; NSC69852; Spermine tetra, HCl; spermidine 3HCl; N,N'-bis(3-aminopropyl)butane-1,4-diamine;hydrochloride; 3-azaniumylpropyl-[4-(3-azaniumylpropylazaniumyl)butyl]azanium;tetrachloride; SPERMINE HCL; MLS002472980; 29605-46-7; SMR001397086; Spermine hydrochlorine; SCHEMBL1167355; CHEMBL1256357; DTXSID40952079; Spermine tetrahydrochloride, 98%; SPERMINE, TETRAHYDROCHLORIDE; N,4-butanediamine tetrahydrochloride; NSC-69852; 1, N,N'-bis(3-aminopropyl), tetrahydrochloride; 1, N,N'-bis(3-aminopropyl)-, tetrahydrochloride; 3-[4-(3-aminopropylamino)butylamino]propylazanium chloride; N~1~,N~4~-Bis(3-aminopropyl)butane-1,4-diamine--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69852	.	.	.	.	238.8	C10H27ClN4	76.1	86.1	.	15	5	4	11	"InChI=1S/C10H26N4.ClH/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;/h13-14H,1-12H2;1H"	C(CCNCCCN)CNCCCN.Cl	KBDDIZRDKLGWGW-UHFFFAOYSA-N
DG61500	N-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methylideneamino]-2-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanamide	5351196	NSC79688; MLS002694377; CHEMBL1967666; 14415-43-1; SMR001560306; BDBM95188; cid_5357532; DTXSID30417682; ZINC4822046; BDBM50269648; CCG-35330; NSC-79688; N-[[4-[bis(2-chloroethyl)amino]-2-methyl-benzylidene]amino]-2-(7-hydroxy-2-keto-chromen-4-yl)acetamide; N-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methylideneamino]-2-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanamide; N-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-2-(7-hydroxy-2-oxo-1-benzopyran-4-yl)acetamide; N-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79688	.	.	.	.	476.3	C23H23Cl2N3O4	91.2	711	3.6	32	2	6	9	"InChI=1S/C23H23Cl2N3O4/c1-15-10-18(28(8-6-24)9-7-25)3-2-16(15)14-26-27-22(30)11-17-12-23(31)32-21-13-19(29)4-5-20(17)21/h2-5,10,12-14,29H,6-9,11H2,1H3,(H,27,30)/b26-14+"	CC1=C(C=CC(=C1)N(CCCl)CCCl)/C=N/NC(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O	WCRKUBGTWMEDDH-VULFUBBASA-N
DG61501	"4-(2,4,5-Trimethoxystyryl)quinoline"	5351198	"4-(2,4,5-Trimethoxystyryl)quinoline; 2878-62-8; NSC80756; 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline; MLS002701919; NSC 80756; BRN 1484595; Quinoline, 4-(2,4,5-trimethoxystyryl)-; 5-21-05-00684 (Beilstein Handbook Reference); CHEMBL1700512; ZINC5998876; CCG-35329; NCGC00184103-01; NCGC00184103-02; NCGC00184103-03; NCGC00184103-04; NCGC00184103-05; NCGC00184103-06; NCGC00184103-07; SMR001565503; 4-[2-(2,4,5-trimethoxyphenyl)vinyl]quinoline; AT-051/41206029; 4-[(E)-2-(2,4,5-trimethoxyphenyl)vinyl]quinoline; Quinoline, 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80756	.	.	.	.	321.4	C20H19NO3	40.6	414	4.4	24	0	4	5	"InChI=1S/C20H19NO3/c1-22-18-13-20(24-3)19(23-2)12-15(18)9-8-14-10-11-21-17-7-5-4-6-16(14)17/h4-13H,1-3H3/b9-8+"	COC1=CC(=C(C=C1/C=C/C2=CC=NC3=CC=CC=C23)OC)OC	XPYLMRIXEKTASO-CMDGGOBGSA-N
DG61502	Cyanein	5351204	"brefeldin A; Cyanein; Decumbin; NSC56310; NSC89671; 20350-15-6; SMR001565520; MLS002701937; MLS002702862; NSC107456; NSC244390; B 174987; (+)-4-epi-Brefeldin A; SCHEMBL4345242; CHEMBL1734306; 60132-23-2; BFA; AKOS037649525; CP-0070; (1S,2E,7S,10E,12S,13R,15S)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one; J3.554.023G"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89671	.	.	.	.	280.36	C16H24O4	66.8	388	2	20	2	4	0	"InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,13-,14+,15-/m0/s1"	C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@H](/C=C/C(=O)O1)O)O	KQNZDYYTLMIZCT-PNFJWZTBSA-N
DG61503	1-Isotetrandrine	5351212	"UNII-99JX36W62B; Isosinomenin A; Isosinomenine A; CHEMBL504757; O-Methylberbamine; 99JX36W62B; NSC97338; NSC-97338; O,O'-Dimethylobamegine; 1-ISOTETRANDRINE; O,O'-Dimethylstepholine; (+)-Isotetrandrine; Isotetandrine; O-Methylpenduline; N,O-Dimethylpeinamine; Penduline, O-methyl-; (S,R)-Isotetrandrine; Isotetrandrine, (-)-; BDBM50292468; ZINC28115894; NCI60_042171; FT-0603437; N1798; Berbaman,6',7,12-tetramethoxy-2,2'-dimethyl-; UNII-C7WJK43784 component WVTKBKWTSCPRNU-IHLOFXLRSA-N; Berbaman, 6,6',7,12-tetramethoxy-2,2'-dimethyl-, (1beta,1'beta)-; 16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido(2',3':17,18)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinoline, 3,4,4a,5,16a,17,18,19-octahydro-12,21,22,26-tetramethoxy-4,17-dimethyl-, (4aR,16aS)-; 26137-48-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	97338	.	.	.	.	622.7	C38H42N2O6	61.9	979	6.4	46	0	8	4	"InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m1/s1"	CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC	WVTKBKWTSCPRNU-IHLOFXLRSA-N
DG61504	"3-Phenyl-[1,3]thiazolo[3,2-f]phenanthridin-4-ium;perchlorate"	5351215	"NSC98904; 13896-99-6; CHEMBL1990424; DTXSID90417683; Thiazolo[3, 3-phenyl- perchlorate; NSC-98904"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98904	.	.	.	.	411.9	C21H14ClNO4S	107	514	.	28	0	5	1	"InChI=1S/C21H14NS.ClHO4/c1-2-8-15(9-3-1)20-14-23-21-18-12-5-4-10-16(18)17-11-6-7-13-19(17)22(20)21;2-1(3,4)5/h1-14H;(H,2,3,4,5)/q+1;/p-1"	C1=CC=C(C=C1)C2=CSC3=[N+]2C4=CC=CC=C4C5=CC=CC=C53.[O-]Cl(=O)(=O)=O	JTLZGZZGOYPSLD-UHFFFAOYSA-M
DG61505	Reumycin	5351216	"Reumycin; Reumitsin; Rheumygin; 5016-18-2; 1-demethyltoxoflavin; rheumycin; 1-Demethyltoxoflavine; 6-Methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione; 6-Methylpyrimido[5,4-E][1,2,4]triazine-5,7(6H,8H)-dione; NSC 99733; NSC99733; BA 51-090492; UNII-N94S395MFA; MLS001048964; 6-Methylpyrimido(5,4-e)-as-triazine-5,7(1H,6H)-dione; C6H5N5O2; N94S395MFA; Pyrimido(5,4-e)-as-triazine-5,7(6H,8H)-dione, 6-methyl-; Pyrimido(5,4-e)-as-triazine-5,7(1H,6H)-dione, 6-methyl-; SMR000008544; N-1-demethylxanthotricin; reumicine; NCIMech_000143; Rheumygin;1-Demethyltoxoflavine; SCHEMBL3231479; CHEMBL1703515; BDBM83941; cid_5351216; DTXSID90198223; CHEBI:121196; HMS1610C13; HMS2754A09; BCP31999; CCG-35339; MFCD00459813; NSC-99733; STK177195; ZINC18272248; AKOS001632553; AKOS006275055; MCULE-4113683822; NCI60_042239; Pyrimido[5,7(6H,8H)-dione, 6-methyl-; VU0419388-1; C21957; Q9068429; 6-methyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione; 6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-quinone; 6-methyl-pyrimido-[5,4-e]-as-triazine-5,7(6H,8H)-dione; 6-Methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione; 6-methyl-1H,5H,6H,7H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione; AZ9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99733	.	.	.	.	179.14	C6H5N5O2	88.1	255	-1.4	13	1	5	0	"InChI=1S/C6H5N5O2/c1-11-5(12)3-4(9-6(11)13)10-8-2-7-3/h2H,1H3,(H,9,10,13)"	CN1C(=O)C2=C(NC1=O)N=NC=N2	ZLLAXLPOOMLVRF-UHFFFAOYSA-N
DG61506	Anthramycin methyl ether	5351221	"Anthramycin methyl ether; Anthramycin 11-methyl ether; NSC106408; B 89006; 5544-25-2; Antibiotic A; Anthramycin, methyl ether; Roche 5-9000; NSC 106408; 2-Propenamide,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl)-, [11R-(2(E),11.alpha.,11a.beta.)]-; 2-Propenamide,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl)-, [11R-[2(E),11.alpha.,11a.beta.]]-; Anthramycin, hydrate; CHEMBL279144; SCHEMBL12131772; DTXSID301016805; ZINC4822847; NSC-106408; (E)-3-[(6R,6aS)-4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide; 1H-Pyrrolo(2,1-c)(1,4)benzodiazepine-2-acrylamide, 5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-, (E)-; 2-Propenamide, 3-(5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-1H-pyrrolo(2,1-c)(1,4)benzodiazepin-2-yl)-, (11R-(2(E),11alpha,11abeta))-; 1H-Pyrrolo[2,4]benzodiazepine-2-acrylamide, 5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-, (E)-; 2-Propenamide, 3-[(11R,11aS)-5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]-, (2E)-; 5H-Pyrrolo[2,4]benzodiazepine-2-acrylamide, 1,10,11.beta.,11a.beta.-tetrahydro-9-hydroxy-11-methoxy-5-oxo-, monohydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106408	.	.	.	.	329.35	C17H19N3O4	105	588	0.5	24	3	5	3	"InChI=1S/C17H19N3O4/c1-9-3-5-11-14(15(9)22)19-16(24-2)12-7-10(4-6-13(18)21)8-20(12)17(11)23/h3-6,8,12,16,19,22H,7H2,1-2H3,(H2,18,21)/b6-4+/t12-,16+/m0/s1"	CC1=C(C2=C(C=C1)C(=O)N3C=C(C[C@H]3[C@H](N2)OC)/C=C/C(=O)N)O	YRMCBQLZVBXOSJ-PCFSSPOYSA-N
DG61507	"2,3-Dibenzoyloxy-4-hydroxy-4-oxobutanoate;(2,5-dimethylphenyl)-(4-methylphenyl)-phenylsulfanium"	5351228	NSC116693; CHEMBL1986951; NSC-116693	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116693	.	.	.	.	662.7	C39H34O8S	131	851	.	48	1	8	11	"InChI=1S/C21H21S.C18H14O8/c1-16-10-13-20(14-11-16)22(19-7-5-4-6-8-19)21-15-17(2)9-12-18(21)3;19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h4-15H,1-3H3;1-10,13-14H,(H,19,20)(H,21,22)/q+1;/p-1"	CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=C(C=CC(=C3)C)C.C1=CC=C(C=C1)C(=O)OC(C(C(=O)[O-])OC(=O)C2=CC=CC=C2)C(=O)O	UPAYOWHZAHIRRV-UHFFFAOYSA-M
DG61508	"5,7-Dihydroxy-3',4'-dimethoxyflavone"	5351234	"4'-METHYLCHRYSOERIOL; 4712-12-3; 5,7-Dihydroxy-3',4'-dimethoxyflavone; Kampferol-3,4'-dimethyl ether; Luteolin 3',4'-dimethyl ether; NSC128305; NSC-128305; UNII-3FHI2X224O; 2-(3,4-dimethoxyphenyl)-5,7-dihydroxychromen-4-one; CHEMBL76426; 3FHI2X224O; 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; 3',4'-Dimethoxyluteolin; NCIMech_000178; SCHEMBL2483636; Kampferol-3, 4'-dimethyl ether; DTXSID80197043; ZINC6018693; BDBM50252426; CCG-35363; LMPK12110831; NSC 128305; Flavone,7-dihydroxy-3',4'-dimethoxy-; 5,7-Dihydroxy-3', 4'-dimethoxyflavone; 5,7-dihydroxy-3',4'-dimethoxy flavone; 5,7-dihydroxy-4',5'-dimethoxy flavone; NCI60_000644; Flavone, 5,7-dihydroxy-3',4'-dimethoxy-; HY-112734; CS-0063122; Flavone, 5,7-dihydroxy-3',4'-dimethoxy- (8CI); 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-chromen-4-one; 4H-1-Benzopyran-4-one,4-dimethoxyphenyl)-5,7-dihydroxy-; 4H-1-Benzopyran-4-one, 2-(3, 4-dimethoxyphenyl)-5,7-dihydroxy-; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128305	.	.	.	.	314.29	C17H14O6	85.2	476	2	23	2	6	3	"InChI=1S/C17H14O6/c1-21-13-4-3-9(5-15(13)22-2)14-8-12(20)17-11(19)6-10(18)7-16(17)23-14/h3-8,18-19H,1-2H3"	COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC	AOLOMULCAJQEIG-UHFFFAOYSA-N
DG61509	NSC136044	5351236	"(7S,9R,10R)-7,10-bis[[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione; NSC136044; NSC-136044; CHEMBL1978022; SCHEMBL22589699; NCI60_000821"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136044	.	.	.	.	700.8	C36H48N2O12	199	1240	2.6	50	6	14	7	"InChI=1S/C36H48N2O12/c1-8-36(46)14-21(49-22-12-18(37(4)5)29(40)15(2)47-22)25-28(35(36)50-23-13-19(38(6)7)30(41)16(3)48-23)34(45)26-27(33(25)44)32(43)24-17(31(26)42)10-9-11-20(24)39/h9-11,15-16,18-19,21-23,29-30,35,39-41,44-46H,8,12-14H2,1-7H3/t15 ,16 ,18 ,19 ,21-,22 ,23 ,29 ,30 ,35+,36+/m0/s1"	CC[C@]1(C[C@@H](C2=C([C@H]1OC3CC(C(C(O3)C)O)N(C)C)C(=C4C(=C2O)C(=O)C5=C(C4=O)C=CC=C5O)O)OC6CC(C(C(O6)C)O)N(C)C)O	NWPIUETWDSWOKV-QROLFQDOSA-N
DG61510	(E)-N-(3-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide	5351237	NSC139109; (E)-N-(3-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide; 31191-21-6; CHEMBL2006535; SCHEMBL20526857; ZINC230642; CCG-35203; AKOS001606129; NSC-139109; SR-01000401708; SR-01000401708-1; (2E)-N-(3-methylphenyl)-3-(4-nitrophenyl)acrylamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	139109	.	.	.	.	282.29	C16H14N2O3	74.9	395	3.8	21	1	3	3	"InChI=1S/C16H14N2O3/c1-12-3-2-4-14(11-12)17-16(19)10-7-13-5-8-15(9-6-13)18(20)21/h2-11H,1H3,(H,17,19)/b10-7+"	CC1=CC(=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]	VPNQICVSXJMXGC-JXMROGBWSA-N
DG61511	Monoanhydride with sulfuric acid	5351242	"Coralyne sulfoacetate; NSC154890; NSC-154890; Monoanhydride with sulfuric acid; 38989-37-6; CHEMBL1996021; DTXSID90959831; 2,3,10,11-tetramethoxy-8-methyl-dibenzo[a,g]quinolizinium sulfoacetate; 2,3,10,11-Tetramethoxy-8-methylisoquinolino[3,2-a]isoquinolin-7-ium sulfoacetate; Dibenzo[a, 2,3,10,11-tetramethoxy-8-methyl-, salt with sulfoacetic acid (1:1); Berbinium,6,7,8,13,13a-hexadehydro-2,3,10,11-tetramethoxy-8-methyl-, saltwith acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	154890	.	.	.	.	503.5	C24H25NO9S	144	668	.	35	1	9	5	"InChI=1S/C22H22NO4.C2H4O5S/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18;3-2(4)1-8(5,6)7/h6-12H,1-5H3;1H2,(H,3,4)(H,5,6,7)/q+1;/p-1"	CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.C(C(=O)[O-])S(=O)(=O)O	KRPNDEFBHRAWPW-UHFFFAOYSA-M
DG61512	"Pyridine, 2-(p-chlorostyryl)-4-((4-(diethylamino)-1-methylbutyl)amino)-"	5351244	"NSC157389; 56401-88-8; Pyridine, 2-(p-chlorostyryl)-4-((4-(diethylamino)-1-methylbutyl)amino)-; Pyridine, 2-(p-chlorostyryl)-4-[[4-(diethylamino)-1-methylbutyl]amino]-; NSC154377; Pyridine, (E)-; CHEMBL2001157; SCHEMBL12830315; DTXSID80417692; NSC-154377; NSC-157389; 4-[5-Diethylamino-2-pentylamino]-2-[4-chloro-.beta.-trans-styryl]pyridine; 58521-04-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157389	.	.	.	.	371.9	C22H30ClN3	28.2	389	5.7	26	1	3	10	"InChI=1S/C22H30ClN3/c1-4-26(5-2)16-6-7-18(3)25-22-14-15-24-21(17-22)13-10-19-8-11-20(23)12-9-19/h8-15,17-18H,4-7,16H2,1-3H3,(H,24,25)/b13-10+"	CCN(CC)CCCC(C)NC1=CC(=NC=C1)/C=C/C2=CC=C(C=C2)Cl	FIDFDSHBKIWNIN-JLHYYAGUSA-N
DG61513	Tris(4-methylphenyl)sulfanium Chloride	5351245	NSC157930; 22417-22-7; Tris(4-methylphenyl)sulfanium Chloride; SCHEMBL482494; CHEMBL1979945; DTXSID80945081; tris(4-methylphenyl)sulfonium Chloride; NSC-157930	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157930	.	.	.	.	340.9	C21H21ClS	1	263	.	23	0	1	3	"InChI=1S/C21H21S.ClH/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;/h4-15H,1-3H3;1H/q+1;/p-1"	CC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.[Cl-]	GDXHNOZSKQKGCT-UHFFFAOYSA-M
DG61514	Decamine	5351247	"NSC166454; Decamine; Dequavagyn; Polycidine; Dekadin; Dekamin; Dequadin; Dequavet; Erosept; Grocreme; Labosept; Oralgol; Rumilet; Sanoral; Sentril; Efisol; Evazol; Ivazil; Sorot; Dequadin chloride; Dequalin chloride; BAQD 10; NSC-166454; Decamethylenebis[4-aminoquinaldinium chloride]; Decamine, pharmaceutical; MLS000028642; Pharmakon1600-01503127; NSC758394; NSC-758394; NCGC00180947-01; SMR000059193; 1,10-Decamethylenebis[4-aminoquinaldinium chloride]; Quinaldinium,1'-decamethylenebis[4-amino-, dichloride; Quinaldinium,1'-decamethylenebis[4-amino]-, dichloride; Quinolinium,1'-(1,10-decanediyl)bis[4-amino-2-methyl-, dichloride; WLN: T66 BKJ C1 EZ B10- BT66 BKJ C1 EZ &Q 2 &G 2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166454	.	.	.	.	492.1	C30H40ClN4+	59.8	532	.	35	2	3	11	"InChI=1S/C30H38N4.ClH/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;1H/p+1"	CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.[Cl-]	IHLKQCODTQXANL-UHFFFAOYSA-O
DG61515	Hydroxy AT 125	5351254	"NSC176324; MLS002702070; NSC-176324; Hydroxy-AT125; Hydroxy AT 125; CHEMBL1991295; ZINC100305210; NCI60_001451; 5-Isoxazoleacetic acid,5-dihydro-4-hydroxy-; 5-Isoxazoleacetic acid,5-dihydro-4-hydroxy-, (4R-(4.alpha.,5.beta.(S*)))-; 5-isoxazolecetic Acid,5-dihydro-4-hydrxoxy-, [4R-[4.alpha.,5.beta.(S*)]]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176324	.	.	.	.	194.57	C5H7ClN2O4	105	232	-2.7	12	3	6	2	"InChI=1S/C5H7ClN2O4/c6-4-2(9)3(12-8-4)1(7)5(10)11/h1-3,9H,7H2,(H,10,11)/t1-,2+,3+/m0/s1"	[C@H]1([C@H](ON=C1Cl)[C@@H](C(=O)O)N)O	KUYDILDQEMQBKJ-ZVHKOUPVSA-N
DG61516	"Benzoxazole,3-benzodioxol-5-yl)ethenyl]-, (Z)-"	5351255	"NSC176655; CHEMBL1982374; ZINC5188902; NSC-176655; Benzoxazole,3-benzodioxol-5-yl)ethenyl]-, (Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176655	.	.	.	.	265.26	C16H11NO3	44.5	373	3.9	20	0	4	2	"InChI=1S/C16H11NO3/c1-2-4-13-12(3-1)17-16(20-13)8-6-11-5-7-14-15(9-11)19-10-18-14/h1-9H,10H2/b8-6-"	C1OC2=C(O1)C=C(C=C2)/C=C\\C3=NC4=CC=CC=C4O3	DPSXZXQPFAYPNZ-VURMDHGXSA-N
DG61517	"1-Propanesulfonamide, dihydrochloride"	5351256	"NSC177365; 63345-17-5; CHEMBL1972067; SCHEMBL23409696; DTXSID10979475; 1-Propanesulfonamide, dihydrochloride; NSC-177365; 3-Carbamimidamido-N-{4-[(3-nitroacridin-9(10H)-ylidene)amino]phenyl}propane-1-sulfonamide--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	177365	.	.	.	.	530	C23H24ClN7O4S	190	847	.	36	5	8	8	"InChI=1S/C23H23N7O4S.ClH/c24-23(25)26-12-3-13-35(33,34)29-16-8-6-15(7-9-16)27-22-18-4-1-2-5-20(18)28-21-14-17(30(31)32)10-11-19(21)22;/h1-2,4-11,14,29H,3,12-13H2,(H,27,28)(H4,24,25,26);1H"	C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NC4=CC=C(C=C4)NS(=O)(=O)CCCN=C(N)N.Cl	OPSGDYHBXKMPNO-UHFFFAOYSA-N
DG61518	5-Methoxysterigmatocystin	5351257	"5-Methoxysterigmatocysin; 5-Methoxysterigmatocystin; 5 or 7 Methoxysterigmatocystin; 5-MS; 22897-08-1; Sterigmatocystin 5(7)-methoxy-; Sterigmatocystin, 5(or 7)-methoxy-; NSC178249; (3S,7R)-15-hydroxy-11,18-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one; STERIGMATOCYSTIN, 5 OR 7 METHOXY-; CCRIS 3225; Methoxysterigmatocystin; NSC 178249; BRN 1442627; 6-methoxy-sterigmatocystin; NCIMech_000434; 5-19-10-00636 (Beilstein Handbook Reference); CHEMBL1973034; DTXSID101018081; ZINC6403924; CCG-35900; NSC-178249; 7H-Furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 3a,12c-dihydro-6,11-dimethoxy-8-hydroxy-, (3aR-cis)-; 7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6,11-dimethoxy-, (3aR-cis)-; NCI60_001501; J-014890; 7H-Furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6,11-dimethoxy-, (3aR-cis)- (8CI)(9CI); 7H-Furo[3',5]furo[2,3-c]xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6,11-dimethoxy-, (3aR-cis)-; 8-Hydroxy-6,11-dimethoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one-, (3aR-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	178249	.	.	.	.	354.3	C19H14O7	83.4	607	3.3	26	1	7	2	"InChI=1S/C19H14O7/c1-22-10-4-3-9(20)14-16(21)15-11(23-2)7-12-13(18(15)26-17(10)14)8-5-6-24-19(8)25-12/h3-8,19-20H,1-2H3/t8-,19+/m0/s1"	COC1=C2C(=C(C=C1)O)C(=O)C3=C(C=C4C(=C3O2)[C@@H]5C=CO[C@@H]5O4)OC	VVRUNWFPOWIBDY-WPCRTTGESA-N
DG61519	"5-Methylbenzo[c]phenanthridin-5-ium-2,3,8,9-tetrol;pyridine;chloride;hydrochloride"	5351258	NSC184403; CHEMBL1970962; NSC-184403	.	.	Investigative Drug(s)	Investigative	Small molecular drug	184403	.	.	.	.	459.3	C23H20Cl2N2O4	97.7	478	.	31	5	6	0	"InChI=1S/C18H13NO4.C5H5N.2ClH/c1-19-8-10-5-15(21)16(22)6-12(10)11-3-2-9-4-14(20)17(23)7-13(9)18(11)19;1-2-4-6-5-3-1;;/h2-8H,1H3,(H3,20,21,22,23);1-5H;2*1H"	C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)O)O)O)O.C1=CC=NC=C1.Cl.[Cl-]	NNEFJSLYNXKDOK-UHFFFAOYSA-N
DG61520	[6-[(E)-(carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-(2-chlorophenoxy)acetate	5351259	NSC185056; 51984-29-3; CHEMBL1970857; DTXSID40417693; ZINC5203039; CCG-35884; NSC-185056	.	.	Investigative Drug(s)	Investigative	Small molecular drug	185056	.	.	.	.	364.8	C15H13ClN4O3S	131	466	2.5	24	2	6	7	"InChI=1S/C15H13ClN4O3S/c16-12-3-1-2-4-13(12)22-9-14(21)23-11-6-5-10(18-8-11)7-19-20-15(17)24/h1-8H,9H2,(H3,17,20,24)/b19-7+"	C1=CC=C(C(=C1)OCC(=O)OC2=CN=C(C=C2)/C=N/NC(=S)N)Cl	JMKQBSDQJKEATH-FBCYGCLPSA-N
DG61521	"(4Z)-4-(3,4-dichlorobenzylidene)-2-(2-furyl)-1,3-oxazol-5(4H)-one"	5351262	"NSC202000; CHEMBL2005735; ZINC5174372; CCG-35886; NSC-202000; SR-01000416283; SR-01000416283-1; (4Z)-4-(3,4-dichlorobenzylidene)-2-(2-furyl)-1,3-oxazol-5(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	202000	.	.	.	.	308.1	C14H7Cl2NO3	51.8	463	4.2	20	0	4	2	InChI=1S/C14H7Cl2NO3/c15-9-4-3-8(6-10(9)16)7-11-14(18)20-13(17-11)12-2-1-5-19-12/h1-7H/b11-7-	C1=COC(=C1)C2=N/C(=C\\C3=CC(=C(C=C3)Cl)Cl)/C(=O)O2	DLQGKIOQLWXJIL-XFFZJAGNSA-N
DG61522	"Quinolinium, dichloride"	5351265	"NSC218439; Quinolinium, dichloride; NSC-218439"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	218439	.	.	.	.	587	C29H25ClN7O5+	153	912	.	42	3	8	6	"InChI=1S/C29H23N7O5.ClH/c1-33-14-11-21(12-15-33)30-19-3-5-20(6-4-19)32-29(37)24-9-7-22(17-28(24)36(40)41)31-26-13-16-34(2)27-10-8-23(35(38)39)18-25(26)27;/h3-18H,1-2H3,(H,32,37);1H/p+1"	C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)C)[N+](=O)[O-])[N+](=O)[O-].[Cl-]	TUFHOUNZXFZZHE-UHFFFAOYSA-O
DG61523	Disodium;4-hydroxy-3-[[2-[hydroxy(oxido)phosphoryl]acetyl]amino]-4-oxobutanoate	5351267	NSC224131	.	.	Investigative Drug(s)	Investigative	Small molecular drug	224131	.	.	.	.	299.08	C6H8NNa2O8P	167	339	.	18	3	8	5	"InChI=1S/C6H10NO8P.2Na/c8-4(2-16(13,14)15)7-3(6(11)12)1-5(9)10;;/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)(H2,13,14,15);;/q;2*+1/p-2"	C(C(C(=O)O)NC(=O)CP(=O)(O)[O-])C(=O)[O-].[Na+].[Na+]	CZLKTMHQYXYHOO-UHFFFAOYSA-L
DG61524	NSC239375	5351272	"[(9E,19E,21Z)-17-formyloxy-2,15-dihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate; NSC239375; 51757-10-9; NSC-239375; Rifamycin,4-dideoxy-1,4-dihydro-1,4-dioxo-, 21-formate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	239375	.	.	.	.	723.8	C38H45NO13	201	1550	4.7	52	3	13	5	"InChI=1S/C38H45NO13/c1-17-11-10-12-18(2)37(47)39-24-15-25(42)27-28(32(24)45)31(44)22(6)35-29(27)36(46)38(8,52-35)50-14-13-26(48-9)19(3)34(51-23(7)41)21(5)30(43)20(4)33(17)49-16-40/h10-17,19-21,26,30,33-34,43-44H,1-9H3,(H,39,47)/b11-10+,14-13+,18-12-"	CC1/C=C/C=C(\\C(=O)NC2=CC(=O)C3=C(C2=O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1OC=O)C)O)C)OC(=O)C)C)OC)C)C)O)/C	HWEBHJHXHLVOBR-NISGPDFNSA-N
DG61525	"(Z)-N-(1-butylsulfinyl-3-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide"	5351273	NSC241509	.	.	Investigative Drug(s)	Investigative	Small molecular drug	241509	.	.	.	.	357.4	C15H23N3O5S	144	586	-1.2	24	4	6	9	"InChI=1S/C15H23N3O5S/c1-3-4-7-24(23)9-11(8-19)17-13(20)6-5-12-10(2)16-15(22)18-14(12)21/h5-6,11,19H,3-4,7-9H2,1-2H3,(H,17,20)(H2,16,18,21,22)/b6-5-"	CCCCS(=O)CC(CO)NC(=O)/C=C\\C1=C(NC(=O)NC1=O)C	VTHCVIXENYOZQB-WAYWQWQTSA-N
DG61526	NSC255109	5351275	"[(3R,5R,6S,7R,8E,10R,11R,12Z,14E)-21-amino-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate; NSC255109; 17-Aminodemethoxygeldanamycin; 64202-81-9; SCHEMBL16225851; SCHEMBL16226496; 2-Azabicyclo[16.3.1]docosa-4,6,10,18,21-pentaene-3,20,22-trione, 19-amino-9-[(aminocarbonyl)oxy]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-, (8R,9R,12R,13S,14R,16R)-; [(3R,5R,6S,7R,8E,10R,11R,12Z,14E)-21-amino-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	255109	.	.	.	.	545.6	C28H39N3O8	180	1130	1.3	39	4	9	4	"InChI=1S/C28H39N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-9,12-14,16,21-22,24,26,33H,10-11,29H2,1-6H3,(H2,30,36)(H,31,35)/b9-7-,15-8+,17-12+/t14-,16-,21-,22-,24+,26-/m1/s1"	C[C@H]1C[C@H]([C@H]([C@@H](/C=C(/[C@H]([C@@H](/C=C\\C=C(\\C(=O)NC2=CC(=O)C(=C(C1)C2=O)N)/C)OC)OC(=O)N)\\C)C)O)OC	XYFFWTYOFPSZRM-NBTLBREFSA-N
DG61527	"N,N-Dimethyldaunomycin hydrochloride"	5351276	"NSC258812; N,N-Dimethyldaunomycin hydrochloride; MLS002702948; CHEMBL1979467; SCHEMBL11594921; DTXSID90990340; NSC-258812; 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dimethylamino)hexopyranoside--hydrogen chloride (1/1); 5, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, hydrochloride, (8S-cis)-; 5, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-,hydrochloride; 5, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-,hydrochloride, (8S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	258812	.	.	.	.	592	C29H34ClNO10	163	1010	.	41	5	11	5	"InChI=1S/C29H33NO10.ClH/c1-12-24(32)16(30(3)4)9-19(39-12)40-18-11-29(37,13(2)31)10-15-21(18)28(36)23-22(26(15)34)25(33)14-7-6-8-17(38-5)20(14)27(23)35;/h6-8,12,16,18-19,24,32,34,36-37H,9-11H2,1-5H3;1H/t12 ,16 ,18-,19 ,24 ,29-;/m0./s1"	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N(C)C)O.Cl	LXUULYQZJJTFOD-MUUKTGSOSA-N
DG61528	Dihydro-5-azacytidine	5351280	"DHAC; NSC264880; NSC 26480 (5,6-dihydro-5-azacytidine); 62402-31-7; Dihydro-5-azacytidine; dhac hydrochloride; H5AC HCl; 5-ACH; CHEMBL1987463; DTXSID20977982; NSC270925; NSC-270925; 1,5-Triazin-2(1H)-one, 4-amino-3,6-dihydro-1-.beta.-D-ribofuranosyl-, monohydrochloride; 4-Imino-1-pentofuranosyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-ol--hydrogen chloride (1/1); 65886-72-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	264880	.	.	.	.	282.68	C8H15ClN4O5	141	349	.	18	6	6	2	"InChI=1S/C8H14N4O5.ClH/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6;/h3-6,13-15H,1-2H2,(H3,9,10,11,16);1H"	C1N=C(NC(=O)N1C2C(C(C(O2)CO)O)O)N.Cl	MRFRLYAOBSTHHU-UHFFFAOYSA-N
DG61529	"(E)-N-(1-decylsulfanyl-3-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide"	5351281	"NSC265473; 61786-74-1; NSC305458; CHEMBL1988463; DTXSID20417696; NSC-265473; NSC-305458; (E)-N-(1-decylsulfanyl-3-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide; 2-Propenamide,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, (E)-, (+)-; (+)-(E)-N-(1-Decylsulfanyl-3-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	265473	.	.	.	.	425.6	C21H35N3O4S	133	605	4.2	29	4	5	15	"InChI=1S/C21H35N3O4S/c1-3-4-5-6-7-8-9-10-13-29-15-17(14-25)23-19(26)12-11-18-16(2)22-21(28)24-20(18)27/h11-12,17,25H,3-10,13-15H2,1-2H3,(H,23,26)(H2,22,24,27,28)/b12-11+"	CCCCCCCCCCSCC(CO)NC(=O)/C=C/C1=C(NC(=O)NC1=O)C	DEXMFKROHRYHOD-VAWYXSNFSA-N
DG61530	"Acetic acid, [[(4-methoxyphenyl)sulfonyl]hydrazono]-"	5351283	"NSC267213; CHEMBL189023; 75968-21-7; Acetic acid, [[(4-methoxyphenyl)sulfonyl]hydrazono]-; Acetic acid, (((4-methoxyphenyl)sulfonyl)hydrazono)-; DTXSID80417697; ZINC5439120; BDBM50154470; CCG-35703; NSC-267213; (2E)-{[(4-methoxyphenyl)sulfonyl]hydrazono}acetic acid; (2E)-([(4-Methoxyphenyl)sulfonyl]hydrazono)ethanoic acid #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	267213	.	.	.	.	258.25	C9H10N2O5S	113	379	1.3	17	2	7	5	"InChI=1S/C9H10N2O5S/c1-16-7-2-4-8(5-3-7)17(14,15)11-10-6-9(12)13/h2-6,11H,1H3,(H,12,13)/b10-6+"	COC1=CC=C(C=C1)S(=O)(=O)N/N=C/C(=O)O	BHAJEYKQHZPCHD-UXBLZVDNSA-N
DG61531	"N,N-Dibenzyldaunorubicin hydrochloride"	5351284	"N,N-Dibenzyldaunorubicin hydrochloride; NSC268242; 70878-51-2; CHEMBL1989049; SCHEMBL15646425; ANTINEOPLASTIC-268242; DTXSID30991154; NSC-268242; 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dibenzylamino)hexopyranoside--hydrogen chloride (1/1); 5, 8-acetyl-10-[[3-[bis(phenylmethyl)amino]-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-; 5, 8-acetyl-10-[[3-[bis(phenylmethyl)amino]-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-,hydrochloride, (8S-cis)-; 5, 8-acetyl-10-[[3-[bis-(phenylmethyl)amino]-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	268242	.	.	.	.	744.2	C41H42ClNO10	163	1260	.	53	5	11	9	"InChI=1S/C41H41NO10.ClH/c1-22-36(44)28(42(20-24-11-6-4-7-12-24)21-25-13-8-5-9-14-25)17-31(51-22)52-30-19-41(49,23(2)43)18-27-33(30)40(48)35-34(38(27)46)37(45)26-15-10-16-29(50-3)32(26)39(35)47;/h4-16,22,28,30-31,36,44,46,48-49H,17-21H2,1-3H3;1H/t22 ,28 ,30-,31 ,36 ,41-;/m0./s1"	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N(CC6=CC=CC=C6)CC7=CC=CC=C7)O.Cl	CFPUQMKLKLOWBL-VGXRFQQFSA-N
DG61532	NSC269754	5351289	"(1R,3R,6S,8R,18E,20Z,25S,26R)-6,14-dihydroxy-17-(1-hydroxyethyl)-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione; NSC269754; (2R)-dihydroxy-(1-hydroxyethyl)-trimethyl-spiro[[ ]-2,2'-oxirane]dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269754	.	.	.	.	548.6	C29H40O10	144	1070	0.7	39	3	10	1	"InChI=1S/C29H40O10/c1-16-9-23-28(12-19(16)31)14-36-26(34)10-17(2)20(32)13-35-21(18(3)30)7-5-6-8-25(33)39-22-11-24(38-23)29(15-37-29)27(22,28)4/h5-9,17-24,30-32H,10-15H2,1-4H3/b7-5+,8-6-/t17 ,18 ,19-,20 ,21 ,22 ,23+,24+,27+,28+,29+/m0/s1"	CC1CC(=O)OC[C@]23C[C@@H](C(=C[C@H]2O[C@@H]4CC([C@]3([C@@]45CO5)C)OC(=O)/C=C\\C=C\\C(OCC1O)C(C)O)C)O	PYYBXMVTBWYBDY-QSYTYRBJSA-N
DG61533	Thalicarpine transformation product	5351290	NSC274893; THALICARPINE TRANSFORMATION PRODUCT; NSC-274893; CHEMBL1982517	.	.	Investigative Drug(s)	Investigative	Small molecular drug	274893	.	.	.	.	701.2	C40H45ClN2O7	71.1	1130	.	50	1	9	8	"InChI=1S/C40H44N2O7.ClH/c1-41-13-11-21-16-32(45-5)39(47-7)37-24-20-30(44-4)31(18-23(24)15-26(41)34(21)37)49-28-9-10-29(43-3)36-25(28)19-27-35-22(12-14-42(27)2)17-33(46-6)40(48-8)38(35)36;/h9-10,16-18,20,26-27H,11-15,19H2,1-8H3;1H"	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=C6CC7C8=C(C6=C(C=C5)OC)C(=C(C=C8CCN7C)OC)OC)OC)OC.Cl	QFCWXUPULGTOPX-UHFFFAOYSA-N
DG61534	2-(Diethylamino)ethyl 2-(4-oxo-2-phenylchromen-8-yl)acetate;hydrochloride	5351298	"NSC293015; NSC-293015; 87626-57-1; UNII-2CJ3607EA1; 2CJ3607EA1; CHEMBL1999613; DTXSID301007707; 4H-1-Benzopyran-8-acetic acid, 2-(diethylamino)ethyl ester,hydrochloride; 2-(Diethylamino)ethyl (4-oxo-2-phenyl-4H-1-benzopyran-8-yl)acetate--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	293015	.	.	.	.	415.9	C23H26ClNO4	55.8	563	.	29	1	5	9	"InChI=1S/C23H25NO4.ClH/c1-3-24(4-2)13-14-27-22(26)15-18-11-8-12-19-20(25)16-21(28-23(18)19)17-9-6-5-7-10-17;/h5-12,16H,3-4,13-15H2,1-2H3;1H"	CCN(CC)CCOC(=O)CC1=C2C(=CC=C1)C(=O)C=C(O2)C3=CC=CC=C3.Cl	WDVNOYDPVLEXLL-UHFFFAOYSA-N
DG61535	(3E)-5-bromo-3-phenacylidene-1H-indol-2-one	5351299	NSC294961; 70452-30-1; 5-bromo-3-(2-oxo-2-phenylethylidene)indolin-2-one; ZINC3188437	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294961	.	.	.	.	328.16	C16H10BrNO2	46.2	440	3.1	20	1	2	2	"InChI=1S/C16H10BrNO2/c17-11-6-7-14-12(8-11)13(16(20)18-14)9-15(19)10-4-2-1-3-5-10/h1-9H,(H,18,20)/b13-9+"	C1=CC=C(C=C1)C(=O)/C=C/2\\C3=C(C=CC(=C3)Br)NC2=O	AZHMGLXVLSUTGY-UKTHLTGXSA-N
DG61536	"Hydrogen sulfate;1-[4-(4-methoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium"	5351300	NSC302358; 24372-73-4; CHEMBL3391915	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302358	.	.	.	.	389.5	C15H19NO5S3	149	452	.	24	1	7	2	"InChI=1S/C15H18NOS2.H2O4S/c1-17-13-7-5-12(6-8-13)14-11-18-15(19-14)16-9-3-2-4-10-16;1-5(2,3)4/h5-8,11H,2-4,9-10H2,1H3;(H2,1,2,3,4)/q+1;/p-1"	COC1=CC=C(C=C1)C2=CSC(=[N+]3CCCCC3)S2.OS(=O)(=O)[O-]	RDJLUIFSKVLPNL-UHFFFAOYSA-M
DG61537	Cytochalasin H	5351303	"NSC305222; CYTOCHALASIN H; Kodocytochalasin 1; MLS002701799; 53760-19-3; CHEMBL2003636; NSC-305222; [11]Cytochalasa-6(12),19-trien-1-one, 21-(acetyloxy)-7,18-dihydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18R,19E,21R)-; 1H-Cycloundec[d]isoindol-1-one,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro- 6,12-dihydroxy-4,10,12-trimethyl-5-methylene- 3-(phenylmethyl)-, (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305222	.	.	.	.	493.6	C30H39NO5	95.9	920	3.4	36	3	5	4	"InChI=1S/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14+"	CC1C/C=C/C2C(C(=C)C(C3C2(C(/C=C/C(C1)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)O	NAEWXXDGBKTIMN-BBXOWAOSSA-N
DG61538	Manicol	5351306	"Manicol; NSC310618; CHEMBL1997963; SCHEMBL16749037; NSC#310618; NSC-310618; (2R)-5,6-dihydroxy-2-isopropenyl-9-methyl-1,2,3,4-tetrahydrobenzo[7]annulen-7-one; 1-Naphthalenecarboxylic acid,6,7,8-tetrahydro-2-hydroxy-4-methyl-7-(1-methylethenyl)-; 6H-Benzocyclohepten-6-one, 1,2,3,4-tetrahydro-5,7-dihydroxy-9-methyl-2-(1-methylethenyl)-, (2R)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	310618	.	.	.	.	246.3	C15H18O3	57.5	518	2.2	18	2	3	1	"InChI=1S/C15H18O3/c1-8(2)10-4-5-11-12(7-10)9(3)6-13(16)15(18)14(11)17/h6,10H,1,4-5,7H2,2-3H3,(H2,16,17,18)/t10-/m1/s1"	CC1=CC(=O)C(=C(C2=C1C[C@@H](CC2)C(=C)C)O)O	XZCVMNQLRNHDOD-SNVBAGLBSA-N
DG61540	"8-beta-Hydroxy-9-beta,10-beta-epoxyverrucarin"	5351311	"NSC328166; 87532-30-7; 8-beta-Hydroxy-9-beta,10-beta-epoxyverrucarin"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328166	.	.	.	.	534.6	C27H34O11	154	1100	0.9	38	2	11	0	"InChI=1S/C27H34O11/c1-14-8-9-33-18(29)6-4-5-7-19(30)36-16-10-17-27(13-35-27)25(16,3)26(12-34-23(32)20(14)31)11-15(28)24(2)21(38-24)22(26)37-17/h4-7,14-17,20-22,28,31H,8-13H2,1-3H3/b6-4+,7-5-/t14-,15-,16-,17-,20+,21+,22-,24-,25-,26-,27-/m1/s1"	C[C@@H]1CCOC(=O)/C=C/C=C\\C(=O)O[C@@H]2C[C@@H]3[C@@]4([C@]2([C@]5(C[C@H]([C@@]6([C@H]([C@H]5O3)O6)C)O)COC(=O)[C@H]1O)C)CO4	JATSIAAIWIOXMZ-QDRDYVJGSA-N
DG61541	NSC329696	5351315	"[(1R,2R,4R,8R,11Z,13R)-4,6,6,11-tetramethyl-16-methylidene-10,15-dioxo-5,7,14-trioxatricyclo[11.3.0.04,8]hexadec-11-en-2-yl] (Z)-2-methylbut-2-enoate; NSC329696; HM-9-AO; ZINC33838170"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329696	.	.	.	.	418.5	C23H30O7	88.1	850	2.8	30	0	7	3	"InChI=1S/C23H30O7/c1-8-12(2)20(25)28-17-11-23(7)18(29-22(5,6)30-23)10-15(24)13(3)9-16-19(17)14(4)21(26)27-16/h8-9,16-19H,4,10-11H2,1-3,5-7H3/b12-8-,13-9-/t16-,17-,18-,19+,23-/m1/s1"	C/C=C(/C)\\C(=O)O[C@@H]1C[C@@]2([C@@H](CC(=O)/C(=C\\[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)OC(O2)(C)C)C	FLFMCOUWCKZBIU-CFXWARIPSA-N
DG61542	"6H-Pyrido[4,3-b]carbazole-1-carboxamide, 5,11-dimethyl-, monohydrochloride"	5351320	"NSC335142; 85619-28-9; CHEMBL1978204; SCHEMBL15413335; DTXSID101006210; NSC-335142; DS-009102; 5,11-Dimethyl-6H-pyrido[4,3-b]carbazole-1-carboxamide--hydrogen chloride (1/1); 6H-Pyrido[4,3-b]carbazole-1-carboxamide, 5,11-dimethyl-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	335142	.	.	.	.	325.8	C18H16ClN3O	71.8	454	.	23	3	2	1	"InChI=1S/C18H15N3O.ClH/c1-9-11-7-8-20-17(18(19)22)14(11)10(2)15-12-5-3-4-6-13(12)21-16(9)15;/h3-8,21H,1-2H3,(H2,19,22);1H"	CC1=C2C=CN=C(C2=C(C3=C1NC4=CC=CC=C43)C)C(=O)N.Cl	KYNQVALQBVIVGA-UHFFFAOYSA-N
DG61543	NSC337766	5351321	"N-[(E)-[10-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride; NSC337766"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	337766	.	.	.	.	434.9	C22H23ClN8	97.6	630	.	31	5	4	6	"InChI=1S/C22H22N8.ClH/c1-2-6-16-15(5-1)19(13-27-29-21-23-9-10-24-21)17-7-3-4-8-18(17)20(16)14-28-30-22-25-11-12-26-22;/h1-8,13-14H,9-12H2,(H2,23,24,29)(H2,25,26,30);1H/b27-13+,28-14+;"	C1NC(=NC1)N/N=C/C2=C3C(=C(C4=CC=CC=C24)/C=N/NC5=NCCN5)C=CC=C3.Cl	HBSXKBIYGYFNRF-XBOQHTKWSA-N
DG61544	Lycobetaine chloride	5351323	"Lycobetaine chloride; 2121-16-6; NSC264064; NSC338259; UNGEREMINE CHLORIDE; 5,7-dioxa-12-azoniapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,11,15(19),16-heptaen-17-ol;chloride; CHEMBL481447; DTXSID00417699; NSC-264064; NSC-338259; [1,5-j]pyrrolo[3,2,1-de]phenanthridinium, 4,5-dihydro-2-hydroxy-, chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338259	.	.	.	.	301.72	C16H12ClNO3	42.6	403	.	21	1	4	0	"InChI=1S/C16H11NO3.ClH/c18-11-3-9-1-2-17-7-10-4-14-15(20-8-19-14)6-12(10)13(5-11)16(9)17;/h3-7H,1-2,8H2;1H"	C1C[N+]2=CC3=CC4=C(C=C3C5=CC(=CC1=C52)O)OCO4.[Cl-]	FYVINXPNJCVJEV-UHFFFAOYSA-N
DG61545	"2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride"	5351324	"NSC352890; MLS002702886; CHEMBL1991619; DTXSID50998882; NSC-352890; 5H-Pyrrolo[3, 7-.beta.-D- ribofuranosyl-, monohydrochloride; 1,4-Anhydro-1-(4-imino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pentitol--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	352890	.	.	.	.	302.71	C11H15ClN4O4	138	334	.	20	6	7	2	"InChI=1S/C11H14N4O4.ClH/c12-11-7-6(14-3-15-11)4(1-13-7)10-9(18)8(17)5(2-16)19-10;/h1,3,5,8-10,13,16-18H,2H2,(H2,12,14,15);1H"	C1=C(C2=C(N1)C(=NC=N2)N)C3C(C(C(O3)CO)O)O.Cl	ABQJRAXGQPSYFZ-UHFFFAOYSA-N
DG61546	"1,5-Bis[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione;hydrochloride"	5351330	"NSC363998; CHEMBL2005658; NSC-363998; Anthracene-9, 1,5-bis[3-[[(2-hydroxyethyl)amino] propyl]amino]-9,10-dihydro-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	363998	.	.	.	.	477	C24H33ClN4O4	123	540	.	33	7	8	14	"InChI=1S/C24H32N4O4.ClH/c29-15-13-25-9-3-11-27-19-7-1-5-17-21(19)24(32)18-6-2-8-20(22(18)23(17)31)28-12-4-10-26-14-16-30;/h1-2,5-8,25-30H,3-4,9-16H2;1H"	C1=CC2=C(C(=C1)NCCCNCCO)C(=O)C3=C(C2=O)C(=CC=C3)NCCCNCCO.Cl	UKYDSDKVMRDDSN-UHFFFAOYSA-N
DG61547	4-cycloheptyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide	5351332	"NSC376265; MLS002701703; NSC-376265; SMR001565300; CHEMBL1973646; ANTINEOPLASTIC-376265; BDBM80811; cid_5130254; CCG-35656; ZINC40764088; BRD-K82706287-001-01-0; Piperazine-1-carbothioic acid, [1-(2-pyridyl)ethylidene]hydrazide; 4-cycloheptyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide; 4-cycloheptyl-N-[1-(2-pyridinyl)ethylideneamino]-1-piperazinecarbothioamide; 4-cycloheptyl-N-[1-(2-pyridyl)ethylideneamino]piperazine-1-carbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	376265	.	.	.	.	359.5	C19H29N5S	75.8	451	3.4	25	1	4	3	"InChI=1S/C19H29N5S/c1-16(18-10-6-7-11-20-18)21-22-19(25)24-14-12-23(13-15-24)17-8-4-2-3-5-9-17/h6-7,10-11,17H,2-5,8-9,12-15H2,1H3,(H,22,25)/b21-16+"	C/C(=N\\NC(=S)N1CCN(CC1)C2CCCCCC2)/C3=CC=CC=N3	ZGAVNXQAROBPJG-LTGZKZEYSA-N
DG61548	1-(2-Chlorophenyl)-2-[(dimethylamino)methyl]prop-2-en-1-one;hydrochloride	5351333	NSC382007; CHEMBL1994548; NSC-382007	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382007	.	.	.	.	260.16	C12H15Cl2NO	20.3	250	.	16	1	2	4	"InChI=1S/C12H14ClNO.ClH/c1-9(8-14(2)3)12(15)10-6-4-5-7-11(10)13;/h4-7H,1,8H2,2-3H3;1H"	CN(C)CC(=C)C(=O)C1=CC=CC=C1Cl.Cl	HPZVUVZTLUWLPG-UHFFFAOYSA-N
DG61549	"2-[2-[(E)-2-(1,2-benzoxazol-3-yl)ethenyl]phenoxy]-N,N-diethylethanamine;hydrochloride"	5351338	NSC601101; CHEMBL1993988; SCHEMBL20526844; SCHEMBL20526846; CCG-35672; NSC-601101	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601101	.	.	.	.	372.9	C21H25ClN2O2	38.5	411	.	26	1	4	8	"InChI=1S/C21H24N2O2.ClH/c1-3-23(4-2)15-16-24-20-11-7-5-9-17(20)13-14-19-18-10-6-8-12-21(18)25-22-19;/h5-14H,3-4,15-16H2,1-2H3;1H/b14-13+;"	CCN(CC)CCOC1=CC=CC=C1/C=C/C2=NOC3=CC=CC=C32.Cl	YTWAOZUBPSXNBP-IERUDJENSA-N
DG61550	NSC613009	5351343	"(7R,10S,13S,15E,17R,19S)-7-[(2-bromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone; jasplakinolide; NSC613009"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	613009	.	.	.	.	709.7	C36H45BrN4O6	141	1140	5.6	47	4	6	3	"InChI=1S/C36H45BrN4O6/c1-20-15-21(2)17-23(4)47-32(43)19-30(25-11-13-26(42)14-12-25)40-35(45)31(18-28-27-9-7-8-10-29(27)39-33(28)37)41(6)36(46)24(5)38-34(44)22(3)16-20/h7-15,21-24,30-31,39,42H,16-19H2,1-6H3,(H,38,44)(H,40,45)/b20-15+/t21-,22-,23-,24-,30 ,31+/m0/s1"	C[C@@H]\\1C[C@@H](OC(=O)CC(NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@H](C/C(=C1)/C)C)C)C)CC2=C(NC3=CC=CC=C32)Br)C4=CC=C(C=C4)O)C	GQWYWHOHRVVHAP-QTBJDIKVSA-N
DG61551	MX2 HCl	5351347	"NSC619003; MX2 HCl; NSC-619003; 5, 8-ethyl-7,8,9,10-tetrahydro- 1,6,7,8,11-pentahydroxy-10-[[2,3,6-trideoxy-3- (4-morpholinyl)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619003	.	.	.	.	622.1	C30H36ClNO11	186	1020	.	43	7	12	4	"InChI=1S/C30H35NO11.ClH/c1-3-30(39)12-17(42-18-11-15(24(33)13(2)41-18)31-7-9-40-10-8-31)20-23(29(30)38)28(37)21-22(27(20)36)26(35)19-14(25(21)34)5-4-6-16(19)32;/h4-6,13,15,17-18,24,29,32-33,36-39H,3,7-12H2,1-2H3;1H/t13 ,15 ,17 ,18 ,24 ,29-,30-;/m1./s1"	CC[C@]1(CC(C2=C([C@H]1O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC5CC(C(C(O5)C)O)N6CCOCC6)O.Cl	ZDJRSUWWMAYYID-HATHGVPASA-N
DG61552	"Quinoxaline,6,7-trimethyl-, 1,4-dioxide"	5351352	"NSC621486; CHEMBL1989613; ZINC5810842; NSC-621486; Quinoxaline,6,7-trimethyl-, 1,4-dioxide; 2-Propen-1-one,4-dioxo-2,6,7-trimethylquinoxalin- 3-yl)-3-(2-nitrophenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621486	.	.	.	.	379.4	C20H17N3O5	109	726	2.9	28	0	6	3	"InChI=1S/C20H17N3O5/c1-12-10-17-18(11-13(12)2)22(26)20(14(3)21(17)25)19(24)9-8-15-6-4-5-7-16(15)23(27)28/h4-11H,1-3H3/b9-8+"	CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-]	OXDABLUUWWAFTE-CMDGGOBGSA-N
DG61553	"Ethyl 3-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)propanoate"	5351353	NSC622616; NCIMech_000091; SCHEMBL3274825; CHEMBL2006676; ZINC5828911; CCG-35241; NSC-622616; NCI60_006657	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622616	.	.	.	.	292.28	C15H16O6	93.1	455	1.6	21	2	6	5	"InChI=1S/C15H16O6/c1-3-20-13(18)5-4-10-8(2)14-11(17)6-9(16)7-12(14)21-15(10)19/h6-7,16-17H,3-5H2,1-2H3"	CCOC(=O)CCC1=C(C2=C(C=C(C=C2OC1=O)O)O)C	WHVZMGHWQWXEAU-UHFFFAOYSA-N
DG61554	1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene	5351357	NSC624158; NSC624159; MLS002701612; CHEMBL1706062; 111238-61-0; ZINC1617552; CCG-35631; SMR001565213; 1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene; S-(4-(((4-Methylphenyl)(dioxido)sulfanyl)thio)-2-butenyl) 4-methylbenzenesulfonothioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624158	.	.	.	.	428.6	C18H20O4S4	136	584	4	26	0	6	8	"InChI=1S/C18H20O4S4/c1-15-5-9-17(10-6-15)25(19,20)23-13-3-4-14-24-26(21,22)18-11-7-16(2)8-12-18/h3-12H,13-14H2,1-2H3/b4-3+"	CC1=CC=C(C=C1)S(=O)(=O)SC/C=C/CSS(=O)(=O)C2=CC=C(C=C2)C	MMBKGPMCUOXQRM-ONEGZZNKSA-N
DG61555	N-(4-chlorophenyl)-4-[(2E)-2-[(4-chlorophenyl)methylene]hydrazino]-2-hydroxy-6-methyl-pyrimidine-5-carboxamide	5351359	"NSC624947; MLS002701618; CHEMBL1981148; CCG-35630; ZINC31820420; NSC-624947; Pyrimidine-5-carboxamide,2-dihydro- 6-methyl-2-oxo-; 5-Pyrimidinecarboxamide, N-(4-chlorophenyl)-4-[(2E)-2-[(4-chlorophenyl)methylene]hydrazino]-2-hydroxy-6-methyl-; N-(4-chlorophenyl)-4-[(2E)-2-[(4-chlorophenyl)methylene]hydrazino]-2-hydroxy-6-methyl-pyrimidine-5-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624947	.	.	.	.	416.3	C19H15Cl2N5O2	95	690	4	28	3	3	5	"InChI=1S/C19H15Cl2N5O2/c1-11-16(18(27)24-15-8-6-14(21)7-9-15)17(25-19(28)23-11)26-22-10-12-2-4-13(20)5-3-12/h2-10H,1H3,(H,24,27)(H2,23,25,26,28)/b22-10+"	CC1=C(C(=NC(=O)N1)N/N=C/C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl	NWOXODRDGLSXDB-LSHDLFTRSA-N
DG61556	NSC 632839 hydrochloride	5351362	"NSC 632839 hydrochloride; 157654-67-6; NSC632839; Nsc 632839; NSC-632839; (3E,5E)-3,5-bis[(4-methylphenyl)methylidene]piperidin-4-one;hydrochloride; 3,5-bis((E)-4-methylbenzylidene)piperidin-4-one hydrochloride; F6; MLS002701647; C21H21NO.ClH; CHEMBL1990474; DTXSID10417701; AMY19345; BCP28077; EX-A4187; Ubiquitin Isopeptidase Inhibitor II; 2599AH; 3,5-BIS[(4-METHYLPHENYL)METHYLENE]-4-PIPERIDONE HYDROCHLORIDE; s4922; AKOS024457219; CS-6014; BS-15510; HY-100708; NSC 632839, >=98% (HPLC); A926889; J-009433; 4-Piperidione,3,5-bis[(4-methylphenyl)methylene] hydrochloride; 4-Piperidinone,5-bis[(4-methylphenyl)methylene]-, hydrochloride; 4-Piperidinone, 3,5-bis[(4-methylphenyl)methylene]-, hydrochloride (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632839	.	.	.	.	339.9	C21H22ClNO	29.1	432	.	24	2	2	2	"InChI=1S/C21H21NO.ClH/c1-15-3-7-17(8-4-15)11-19-13-22-14-20(21(19)23)12-18-9-5-16(2)6-10-18;/h3-12,22H,13-14H2,1-2H3;1H/b19-11+,20-12+;"	CC1=CC=C(C=C1)/C=C\\2/C(=O)/C(=C/C3=CC=C(C=C3)C)/CNC2.Cl	ZOKZLTXPTLIWOJ-BYCVLTJGSA-N
DG61557	"3,5-Dibenzylidene-1-acryloylpiperidin-4-one"	5351364	"NSC632841; CHEMBL156016; SCHEMBL21232672; BDBM50430667; ZINC17195935; NSC-632841; 4-Piperidinone,5-bis(phenyl- methylene)-; 3,5-Dibenzylidene-1-acryloylpiperidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632841	.	.	.	.	329.4	C22H19NO2	37.4	535	3.7	25	0	2	3	"InChI=1S/C22H19NO2/c1-2-21(24)23-15-19(13-17-9-5-3-6-10-17)22(25)20(16-23)14-18-11-7-4-8-12-18/h2-14H,1,15-16H2/b19-13+,20-14+"	C=CC(=O)N1C/C(=C\\C2=CC=CC=C2)/C(=O)/C(=C/C3=CC=CC=C3)/C1	FYXRGLSUYBQDPY-IWGRKNQJSA-N
DG61558	(Z)-4-(3-chlorophenyl)-3-(3-methylcyclohexanecarbonyl)-2-oxobut-3-enoic acid	5351370	NSC636084; CHEMBL1999524; NSC-636084	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636084	.	.	.	.	334.8	C18H19ClO4	71.4	511	4.6	23	1	4	5	"InChI=1S/C18H19ClO4/c1-11-4-2-6-13(8-11)16(20)15(17(21)18(22)23)10-12-5-3-7-14(19)9-12/h3,5,7,9-11,13H,2,4,6,8H2,1H3,(H,22,23)/b15-10-"	CC1CCCC(C1)C(=O)/C(=C/C2=CC(=CC=C2)Cl)/C(=O)C(=O)O	WXZJANUZVNOTHQ-GDNBJRDFSA-N
DG61559	"(3Z,5E)-3,5-dibenzylidene-1-[(E)-3-phenylprop-2-enoyl]piperidin-4-one"	5351375	"NSC638634; ZINC17198618; (3Z,5E)-3,5-dibenzylidene-1-[(E)-3-phenylprop-2-enoyl]piperidin-4-one; 3,5-Dibenzylidene-1-cinnamoyl-4-piperidinone; 4-Piperidinone, 3,5-bis(phenylmethylene)-1-(1-oxo-3-phenyl- 2-propenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638634	.	.	.	.	405.5	C28H23NO2	37.4	673	5.2	31	0	2	4	"InChI=1S/C28H23NO2/c30-27(17-16-22-10-4-1-5-11-22)29-20-25(18-23-12-6-2-7-13-23)28(31)26(21-29)19-24-14-8-3-9-15-24/h1-19H,20-21H2/b17-16+,25-18-,26-19+"	C1/C(=C\\C2=CC=CC=C2)/C(=O)/C(=C\\C3=CC=CC=C3)/CN1C(=O)/C=C/C4=CC=CC=C4	VWRVRYWIRXZQDO-PLBLCFTRSA-N
DG61560	"4-Piperidinone, 3,5-bis[(3,4-dichlorophenyl)methylene]-1-[3-(4-morpholinyl)-1-oxopropyl]-, monohydrochloride"	5351377	"NSC638646; ZINC59365135; (3E,5Z)-3,5-bis[(3,4-dichlorophenyl)methylene]-1-(3-morpholinopropanoyl)piperidin-4-one; 3,5-Bis(3,4-dichlorobenzylidene)-1-(3-(4-morpholinyl)propanoyl)-4-piperidinone hydrochloride; 4-Piperidinone, {3,5-bis[(3,4-dichlorophenyl)methylene]-} {1-[3-(4-morpholinyl)-1-oxopropyl]-,} monohydrochloride; 4-Piperidinone, 3,5-bis[(3,4-dichlorophenyl)methylene]- 1-[3-(4-morpholinyl)-1-oxopropyl]-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638646	.	.	.	.	554.3	C26H24Cl4N2O3	49.8	781	5.2	35	0	4	5	"InChI=1S/C26H24Cl4N2O3/c27-21-3-1-17(13-23(21)29)11-19-15-32(25(33)5-6-31-7-9-35-10-8-31)16-20(26(19)34)12-18-2-4-22(28)24(30)14-18/h1-4,11-14H,5-10,15-16H2/b19-11-,20-12+"	C1COCCN1CCC(=O)N2C/C(=C\\C3=CC(=C(C=C3)Cl)Cl)/C(=O)/C(=C\\C4=CC(=C(C=C4)Cl)Cl)/C2	NPBPZFGWDSSVAN-UHWBUFEVSA-N
DG61561	"(2R,5S)-2,5-bis[(dimethylamino)methyl]cyclopentan-1-one;dihydrochloride"	5351378	NSC640391	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640391	.	.	.	.	271.22	C11H24Cl2N2O	23.6	182	.	16	2	3	4	"InChI=1S/C11H22N2O.2ClH/c1-12(2)7-9-5-6-10(11(9)14)8-13(3)4;;/h9-10H,5-8H2,1-4H3;2*1H/t9-,10+;;"	CN(C)C[C@H]1CC[C@H](C1=O)CN(C)C.Cl.Cl	HLEFOJSIGRNIFE-BUQWBUBUSA-N
DG61562	"N-ethyl-N'-[4-[4-[4-(ethylamino)butylamino]butylamino]butyl]butane-1,4-diamine;pentahydrochloride"	5351380	NSC640506	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640506	.	.	.	.	539.9	C20H52Cl5N5	60.2	204	.	30	10	5	22	"InChI=1S/C20H47N5.5ClH/c1-3-21-13-5-7-15-23-17-9-11-19-25-20-12-10-18-24-16-8-6-14-22-4-2;;;;;/h21-25H,3-20H2,1-2H3;5*1H"	CCNCCCCNCCCCNCCCCNCCCCNCC.Cl.Cl.Cl.Cl.Cl	UQVJIDHRWVWVIA-UHFFFAOYSA-N
DG61563	"3-(3,4-dichlorophenyl)-1-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-4-methylthiazol-5-yl)prop-2-en-1-one"	5351382	"NSC640584; NSC-640584; CHEMBL476968; 3-(3,4-Dichlorophenyl)-1-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-2-propen-1-one; 3-(3,4-dichlorophenyl)-1-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-4-methylthiazol-5-yl)prop-2-en-1-one; BDBM50332213; CCG-35484; ZINC16957627; Q22579236; (E)-3-(3,4-dichlorophenyl)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640584	.	.	.	.	516.4	C28H19Cl2N3OS	76	742	8.3	35	0	4	6	"InChI=1S/C28H19Cl2N3OS/c1-18-27(26(34)15-13-19-12-14-22(29)23(30)16-19)35-28(31-18)33-25(21-10-6-3-7-11-21)17-24(32-33)20-8-4-2-5-9-20/h2-17H,1H3/b15-13+"	CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)/C=C/C5=CC(=C(C=C5)Cl)Cl	GDGXJFJBRMKYDL-FYWRMAATSA-N
DG61564	"azanium;[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] hydrogen phosphate"	5351386	NSC643001	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643001	.	.	.	.	413.4	C18H24NO8P	108	505	.	28	2	8	8	"InChI=1S/C18H21O8P.H3N/c1-22-14-8-7-12(9-15(14)26-27(19,20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3;/h5-11H,1-4H3,(H2,19,20,21);1H3/b6-5-;"	COC1=C(C=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC)OP(=O)(O)[O-].[NH4+]	NYUPFPFTYCWUEZ-YSMBQZINSA-N
DG61565	"(4-Chloro-3-(isopropoxyimino-methyl)-phenyl)-thiocarbamic acid, O-isopropyl ester"	5351400	"NSC645727; UC581; 165549-69-9; (4-Chloro-3-(isopropoxyimino-methyl)-phenyl)-thiocarbamic acid, O-isopropyl ester; Carbamothioic acid, (4-chloro-3-(((1-methylethoxy)imino)methyl)phenyl)-, O-(1-methylethyl) ester; [4-Chloro-3-(isopropoxyimino-methyl)-phenyl]-thiocarbamic acid, O-isopropyl ester; Carbamothioic acid, [4-chloro-3-[[(1-methylethoxy)imino]methyl]phenyl]-, O-(1-methylethyl) ester; NSC 645727; CHEMBL102516; ZINC5811951; CCG-35961; NSC-645727; Carbamothioic acid, S-(1-methylethyl) ester; O-isopropyl N-[4-chloro-3-[(E)-isopropoxyiminomethyl]phenyl]carbamothioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645727	.	.	.	.	314.8	C14H19ClN2O2S	74.9	337	4.4	20	1	4	6	"InChI=1S/C14H19ClN2O2S/c1-9(2)18-14(20)17-12-5-6-13(15)11(7-12)8-16-19-10(3)4/h5-10H,1-4H3,(H,17,20)/b16-8+"	CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)/C=N/OC(C)C	PAALNFGWMCOSOL-LZYBPNLTSA-N
DG61566	"1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)vinyl acetate"	5351401	"NSC647363; MLS003389231; CHEMBL2005593; CCG-35978; ZINC16958094; NSC-647363; 1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)vinyl acetate; [(Z)-1-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)vinyl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647363	.	.	.	.	372.4	C20H20O7	72.4	520	3.5	27	0	7	7	"InChI=1S/C20H20O7/c1-12(21)27-16(14-5-6-15-17(10-14)26-11-25-15)7-13-8-18(22-2)20(24-4)19(9-13)23-3/h5-10H,11H2,1-4H3/b16-7-"	CC(=O)O/C(=C\\C1=CC(=C(C(=C1)OC)OC)OC)/C2=CC3=C(C=C2)OCO3	HKWGPTPTKNBQTE-APSNUPSMSA-N
DG61567	"5-(1-Methyl-2-(3,4,5-trimethoxyphenyl)vinyl)-1,3-benzodioxole"	5351406	"NSC648422; NSC-648422; CHEMBL1287924; 5-(1-Methyl-2-(3,4,5-trimethoxyphenyl)vinyl)-1,3-benzodioxole; ZINC1630897; BDBM50332185; CCG-35981; 5-[(E)-1-methyl-2-(3,4,5-trimethoxyphenyl)vinyl]-1,3-benzodioxole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648422	.	.	.	.	328.4	C19H20O5	46.2	424	4.5	24	0	5	5	"InChI=1S/C19H20O5/c1-12(14-5-6-15-16(10-14)24-11-23-15)7-13-8-17(20-2)19(22-4)18(9-13)21-3/h5-10H,11H2,1-4H3/b12-7+"	C/C(=C\\C1=CC(=C(C(=C1)OC)OC)OC)/C2=CC3=C(C=C2)OCO3	FLGKKJLARNSJNB-KPKJPENVSA-N
DG61568	1-(2-Hydroxybenzoyl)-3-methyl-4-(4-methoxybenzylidene)-1H-pyrazole-5(4H)-one	5351408	NSC652174; ZINC5842696; NSC-652174; (4E)-2-(2-hydroxybenzoyl)-4-[(4-methoxyphenyl)methylene]-5-methyl-pyrazol-3-one; 1-(2-Hydroxybenzoyl)-3-methyl-4-(4-methoxybenzylidene)-1H-pyrazole-5(4H)-one; 1-[(2-Hydroxyphenyl)carbonyl]-4-[(4-methoxyphenyl)methylene]-3-methyl-2-pyrazolin-5-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652174	.	.	.	.	336.3	C19H16N2O4	79.2	590	3.4	25	1	5	3	"InChI=1S/C19H16N2O4/c1-12-16(11-13-7-9-14(25-2)10-8-13)19(24)21(20-12)18(23)15-5-3-4-6-17(15)22/h3-11,22H,1-2H3/b16-11+"	CC\\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3O	LZEFZWQMDTZXAX-LFIBNONCSA-N
DG61569	"(6Z)-3-(3-nitrophenyl)-6-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-5-one;chloride"	5351414	"NSC657598; CHEMBL1987480; NSC-657598; Thiazolo[2, 2,3-dihydro- 2-[(4-nitrophenyl)methylene]- 5-(3-nitrophenyl)-3-oxo-, chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657598	.	.	.	.	447.9	C18H10ClN3O5S2	166	684	.	29	0	8	2	InChI=1S/C18H10N3O5S2.ClH/c22-17-16(8-11-4-6-13(7-5-11)20(23)24)28-18-19(17)15(10-27-18)12-2-1-3-14(9-12)21(25)26;/h1-10H;1H/q+1;/p-1/b16-8-;	C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=[N+]2C(=O)/C(=C/C4=CC=C(C=C4)[N+](=O)[O-])/S3.[Cl-]	VLOBDNMAHLKTOI-SQIOZQJDSA-M
DG61570	"2-Propenenitrile, 3-[3-(dimethylamino)phenyl]-2-phenyl-"	5351425	"NSC667251; MLS000756711; 2-Propenenitrile, 3-[3-(dimethylamino)phenyl]-2-phenyl-; CHEMBL1966180; SCHEMBL14964914; SCHEMBL14964915; HMS2886F22; ZINC1642479; CCG-35226; NSC-667251; SMR000529107; 3-(3-(Dimethylamino)phenyl)-2-phenylacrylonitrile; (Z)-3-[3-(dimethylamino)phenyl]-2-phenyl-prop-2-enenitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667251	.	.	.	.	248.32	C17H16N2	27	355	3.8	19	0	2	3	"InChI=1S/C17H16N2/c1-19(2)17-10-6-7-14(12-17)11-16(13-18)15-8-4-3-5-9-15/h3-12H,1-2H3/b16-11+"	CN(C)C1=CC=CC(=C1)/C=C(\\C#N)/C2=CC=CC=C2	JDZSJXYNKBVSLD-LFIBNONCSA-N
DG61571	"2-[4-tert-butyl-1-(p-tolylmethyl)cyclohexoxy]-N,N-dimethyl-ethanamine; fumaric acid"	5351426	"NSC670225; NSC670229; MLS002702224; SMR001565787; CHEMBL1705978; CHEMBL1975684; CHEMBL2374719; CCG-35784; CCG-35822; NSC-670225; NSC-670229; 2-((4-Tert-butyl-1-(4-methylbenzyl)cyclohexyl)oxy)-N,N-dimethylethanamine 2-butenedioate; 2-[4-tert-butyl-1-(p-tolylmethyl)cyclohexoxy]-N,N-dimethyl-ethanamine; fumaric acid; cis-2((1-(4-methyl-phenyl)methyl)-4-tert.butylcyclohexyl)oxyN,salt with fumaric acid; cis-2((1-(4-methyl-phenyl)methyl)-4-tert.butylcyclohexyl)oxyN, N-dimethyl-1-ethanamine-,salt with fumaric acid; Ethanamine,N-dimethyl-2-[4-(1,1-dimethylethyl)- 1-[(4-methylphenyl)methyl]cyclohexyloxy]-, (trans)-, (E)-2-butenedioate (fumaric acid) (1:1); trans-2-((1-(4-methyl-phenyl)methyl)-4-tert.butylcyclohexy)oxy)N, N-dimethyl-1-ethanamine-, salt with fumaric acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670225	.	.	.	.	447.6	C26H41NO5	87.1	474	.	32	2	6	9	"InChI=1S/C22H37NO.C4H4O4/c1-18-7-9-19(10-8-18)17-22(24-16-15-23(5)6)13-11-20(12-14-22)21(2,3)4;5-3(6)1-2-4(7)8/h7-10,20H,11-17H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+"	CC1=CC=C(C=C1)CC2(CCC(CC2)C(C)(C)C)OCCN(C)C.C(=C/C(=O)O)\\C(=O)O	ZQRALAUDFDVDAR-WLHGVMLRSA-N
DG61572	"2-((4-Tert-butyl-1-(4-fluorobenzyl)cyclohexyl)oxy)-N,N-dimethylethanamine 2-butenedioate"	5351427	"NSC670226; MLS002702223; NSC670223; SMR001565786; CHEMBL1866088; CHEMBL2004976; CCG-35785; NSC-670223; NSC-670226; 2-((4-Tert-butyl-1-(4-fluorobenzyl)cyclohexyl)oxy)-N,N-dimethylethanamine 2-butenedioate; trans-2((1-(4-fluorphenyl-methyl)-4-tert.butylcyclohexyl)oxy)N, salt with fumaric acid; 2-[4-tert-butyl-1-[(4-fluorophenyl)methyl]cyclohexoxy]-N,N-dimethyl-ethanamine; fumaric acid; cis-2((1-(4-fluorphenyl-methyl)-4-tert.butylcyclohexyl)oxy)N, N-dimethyl-1-ethanamine-,salt of Fumaric acid; Ethanamine,N-dimethyl- 4-(1,1-dimethylethyl)cyclohexyloxy]-, (cis)-, (E)-2-butenedioate (fumaric acid) (1:1); trans-2((1-(4-fluorphenyl-methyl)-4-tert.butylcyclohexyl)oxy)N, N-dimethyl-1-ethanamine-, salt with fumaric acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670226	.	.	.	.	451.6	C25H38FNO5	87.1	480	.	32	2	7	9	"InChI=1S/C21H34FNO.C4H4O4/c1-20(2,3)18-10-12-21(13-11-18,24-15-14-23(4)5)16-17-6-8-19(22)9-7-17;5-3(6)1-2-4(7)8/h6-9,18H,10-16H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+"	CC(C)(C)C1CCC(CC1)(CC2=CC=C(C=C2)F)OCCN(C)C.C(=C/C(=O)O)\\C(=O)O	VERKYIGIGBTEKR-WLHGVMLRSA-N
DG61573	(2S)-2-amino-3-(5-oxobenzo[a]phenoxazin-10-yl)propanoic acid;nitrate	5351428	NSC672425	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672425	.	.	.	.	396.3	C19H14N3O7-	165	660	.	29	2	9	3	"InChI=1S/C19H14N2O4.NO3/c20-13(19(23)24)7-10-5-6-16-14(8-10)21-18-12-4-2-1-3-11(12)15(22)9-17(18)25-16;2-1(3)4/h1-6,8-9,13H,7,20H2,(H,23,24);/q;-1/t13-;/m0./s1"	C1=CC=C2C(=C1)C(=O)C=C3C2=NC4=C(O3)C=CC(=C4)C[C@@H](C(=O)O)N.[N+](=O)([O-])[O-]	ZZRCGCIDEYCGQR-ZOWNYOTGSA-N
DG61574	[4-[[4-[4-(3-azidophenothiazin-10-yl)butyl]piperazin-1-yl]methyl]phenyl]-phenylmethanone;(Z)-but-2-enedioic acid	5351430	"NSC676963; CHEMBL1973660; NSC-676963; 3-Azido-10-[4-(4-(4-benzoylphenyl)methyl)-1-piperazinyl)butyl]phenothiazine, bismaleate salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676963	.	.	.	.	690.8	C38H38N6O5S	141	1020	.	50	2	11	12	"InChI=1S/C34H34N6OS.C4H4O4/c35-37-36-29-16-17-31-33(24-29)42-32-11-5-4-10-30(32)40(31)19-7-6-18-38-20-22-39(23-21-38)25-26-12-14-28(15-13-26)34(41)27-8-2-1-3-9-27;5-3(6)1-2-4(7)8/h1-5,8-17,24H,6-7,18-23,25H2;1-2H,(H,5,6)(H,7,8)/b;2-1-"	C1CN(CCN1CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42)CC5=CC=C(C=C5)C(=O)C6=CC=CC=C6.C(=C\\C(=O)O)\\C(=O)O	CJWASMAFDPOOMA-BTJKTKAUSA-N
DG61575	"6,7,8,9-Tetrahydro-6-(4-methoxybenzylidene)-5H-benzocycloheptene-5-one"	5351433	"NSC687667; MLS002702373; CHEMBL29539; ZINC104206; CCG-35228; NSC-687667; 2-(4-Methoxyphenylmethylene)-1-benzosuberone; (6E)-6-[(4-methoxyphenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one; 6,7,8,9-Tetrahydro-6-(4-methoxybenzylidene)-5H-benzocycloheptene-5-one; 6-[(E)-4-Methoxybenzylidene]-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687667	.	.	.	.	278.3	C19H18O2	26.3	390	4.6	21	0	2	2	"InChI=1S/C19H18O2/c1-21-17-11-9-14(10-12-17)13-16-7-4-6-15-5-2-3-8-18(15)19(16)20/h2-3,5,8-13H,4,6-7H2,1H3/b16-13+"	COC1=CC=C(C=C1)/C=C/2\\CCCC3=CC=CC=C3C2=O	RVHBOFDLRWNNMW-DTQAZKPQSA-N
DG61576	"1-Acryloyl-3,5-bis(4-chlorobenzylidene)piperidine-4-one"	5351434	"NSC687849; CHEMBL152675; ZINC5838751; BDBM50430659; NSC-687849; 1-Acryloyl-3,5-bis(4-chlorobenzylidene)piperidine-4-one; (3E,5E)-3,5-bis[(4-chlorophenyl)methylene]-1-prop-2-enoyl-piperidin-4-one; 4-Piperidinone, 3,5-bis[(4-chlorophenyl)methylene]-1-(1-oxo-2-propenyl)-, (3E,5E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687849	.	.	.	.	398.3	C22H17Cl2NO2	37.4	595	4.9	27	0	2	3	"InChI=1S/C22H17Cl2NO2/c1-2-21(26)25-13-17(11-15-3-7-19(23)8-4-15)22(27)18(14-25)12-16-5-9-20(24)10-6-16/h2-12H,1,13-14H2/b17-11+,18-12+"	C=CC(=O)N1C/C(=C\\C2=CC=C(C=C2)Cl)/C(=O)/C(=C/C3=CC=C(C=C3)Cl)/C1	UANWMDUDDVNHJV-JYFOCSDGSA-N
DG61577	"(3E,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)piperidin-4-one"	5351435	"b-AP15; 1009817-63-3; (3E,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)piperidin-4-one; NSC687852; NSC 687852; NSC 687852 (b-AP15); (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-prop-2-enoylpiperidin-4-one; 4-Piperidinone, 3,5-bis[(4-nitrophenyl)methylene]-1-(1-oxo-2-propen-1-yl)-, (3E,5E)-; (3E,5E)-1-acryloyl-3,5-bis(4-nitrobenzylidene)piperidin-4-one.; (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-(prop-2-enoyl)piperidin-4-one; NSC-687852; b-AP15(NSC687852); b-AP-15; CHEMBL158037; SCHEMBL14798452; DTXSID30417703; EX-A697; ZINC5838765; 2249AH; MFCD26142662; NSC687852; b-AP15; s4920; AKOS024458227; b-AP15: NSC-687852; CCG-268877; LM-3077; NCGC00384206-05; AC-32697; AS-74010; BP-25402; HY-13989; F50135; J-690005; 1-Acryloyl-3,5-bis(4-nitrobenzylidene)piperidin-4-one; 1-Acryloyl-3,5-bis[(E)-4-nitrobenzylidene]piperidine-4-one; (3E,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-4-piperidinone; 3,5-Bis[(4-nitrophenyl)methylene]-1-(1-oxo-2-propene-1-yl)-4-piperidone; 4-Piperidinone,5-bis[(4-nitrophenyl)methylene]- 1-(1-oxo-2-propenyl)-; N-[3-[[2,3-Dihydro-2-oxo-3-(1H-pyrrol-2-ylmethylene)-1H-indol-6-yl]amino]-4-methylphenyl]-N'-[2-fluoro-5-(trifluoromethyl)phenyl]ure a"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687852	.	.	.	.	419.4	C22H17N3O6	129	750	3.3	31	0	6	3	"InChI=1S/C22H17N3O6/c1-2-21(26)23-13-17(11-15-3-7-19(8-4-15)24(28)29)22(27)18(14-23)12-16-5-9-20(10-6-16)25(30)31/h2-12H,1,13-14H2/b17-11+,18-12+"	C=CC(=O)N1C/C(=C\\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C1	GFARQYQBWJLZMW-JYFOCSDGSA-N
DG61578	"Cyclopentanone,1-dimethylethyl)silyl]oxy]-"	5351437	"NSC689228; CHEMBL2006031; NSC-689228; Cyclopentanone,1-dimethylethyl)silyl]oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689228	.	.	.	.	428.7	C23H44O5Si	54	498	.	29	0	5	15	"InChI=1S/C23H44O5Si/c1-8-9-10-11-21(27-18-26-15-14-25-5)13-12-19-16-20(24)17-22(19)28-29(6,7)23(2,3)4/h12-13,19,21-22H,8-11,14-18H2,1-7H3/b13-12+/t19-,21 ,22-/m1/s1"	CCCCCC(/C=C/[C@@H]1CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)OCOCCOC	UOHYGYKCCYPZLJ-AGSKSTGOSA-N
DG61579	2-(2-(1-(Pyrimidin-4-yl)ethylidene)hydrazinyl)benzo[d]thiazole	5351439	"NSC693632; UNII-SUW7DEW64M; SUW7DEW64M; NSC-693632; MLS002702426; CHEMBL1988351; CCG-35231; CCG-36406; (1E)-1-(4-Pyrimidinyl)ethanone 2-(2-benzothiazolyl)hydrazone; Ethanone, 1-(4-pyrimidinyl)-, 2-(2-benzothiazolyl)hydrazone; 2-(2-(1-(pyrimidin-4-yl)ethylidene)hydrazinyl)benzo[d]thiazole; 2-(2-(1-(Pyrimidin-4-yl)ethylidene)hydrazin-1-yl)-1,3-benzothiazole; Ethanone, 1-(4-pyrimidinyl)-, 2-(2-benzothiazolyl)hydrazone, (1E)-; 2-((2E)-2-(1-(Pyrimidin-4-yl)ethylidene)hydrazin-1-yl)-1,3-benzothiazole; 193828-76-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693632	.	.	.	.	269.33	C13H11N5S	91.3	335	3.2	19	1	6	3	"InChI=1S/C13H11N5S/c1-9(10-6-7-14-8-15-10)17-18-13-16-11-4-2-3-5-12(11)19-13/h2-8H,1H3,(H,16,18)/b17-9+"	C/C(=N\\NC1=NC2=CC=CC=C2S1)/C3=NC=NC=C3	ZMEIUSLAHMLILY-RQZCQDPDSA-N
DG61580	[4-[(E)-[3-[(dimethylamino)methyl]-2-oxocyclohexylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate;hydrochloride	5351440	NSC697443; MLS002702439; CHEMBL1203276; NSC-697443; SMR001566001	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697443	.	.	.	.	425.9	C25H28ClNO3	46.6	608	.	30	1	4	7	"InChI=1S/C25H27NO3.ClH/c1-26(2)18-22-10-6-9-21(25(22)28)17-20-11-14-23(15-12-20)29-24(27)16-13-19-7-4-3-5-8-19;/h3-5,7-8,11-17,22H,6,9-10,18H2,1-2H3;1H/b16-13+,21-17+;"	CN(C)CC1CCC/C(=C\\C2=CC=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3)/C1=O.Cl	DOOBVHPLQUNJTR-AIPOIGJLSA-N
DG61581	Ethyl 2-(4-bromo-2-butenyl)-1-oxo-2-indanecarboxylate	5351442	NSC697875; CHEMBL1978214; NSC-697875; Ethyl 2-(4-bromo-2-butenyl)-1-oxo-2-indanecarboxylate; ethyl 2-[(E)-4-bromobut-2-enyl]-1-oxo-indane-2-carboxylate; 1-Oxo-2-[(E)-4-bromo-2-butenyl]indan-2-carboxylic acid ethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697875	.	.	.	.	337.21	C16H17BrO3	43.4	405	3.5	20	0	3	6	"InChI=1S/C16H17BrO3/c1-2-20-15(19)16(9-5-6-10-17)11-12-7-3-4-8-13(12)14(16)18/h3-8H,2,9-11H2,1H3/b6-5+"	CCOC(=O)C1(CC2=CC=CC=C2C1=O)C/C=C/CBr	FGOOWFDSMKOWAQ-AATRIKPKSA-N
DG61582	"4-[(Z)-[2-(4-chlorophenyl)-1-methylpyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]-N,N-dimethylaniline;trifluoromethanesulfonate"	5351444	NSC699479; MLS002702451; NSC-699479	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699479	.	.	.	.	562	C27H23ClF3N3O3S	77.6	762	.	38	0	7	3	"InChI=1S/C26H23ClN3.CHF3O3S/c1-28(2)21-14-8-18(9-15-21)16-23-22-6-4-5-7-24(22)30-26(23)17-25(29(30)3)19-10-12-20(27)13-11-19;2-1(3,4)8(5,6)7/h4-17H,1-3H3;(H,5,6,7)/q+1;/p-1"	C[N+]1=C(C=C\\2N1C3=CC=CC=C3/C2=C/C4=CC=C(C=C4)N(C)C)C5=CC=C(C=C5)Cl.C(F)(F)(F)S(=O)(=O)[O-]	RMWROCHUEFCPKJ-UHFFFAOYSA-M
DG61583	Berberine sulfate hydrate	5351462	"Berberal; BERBERINE SULFATE; NSC5355; Berberine sulfate hydrate; Neutral berberine sulfate; Berberine sulfate (2:1); 316-41-6; Berberine sulfate trihydrate; NSC-5355; Benzo[g]-1,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-, sulfate (2:1); Berbinium,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, sulfate (2:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5355	.	.	.	.	432.4	C20H18NO8S-	129	551	.	30	0	8	2	"InChI=1S/C20H18NO4.H2O4S/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;1-5(2,3)4/h3-4,7-10H,5-6,11H2,1-2H3;(H2,1,2,3,4)/q+1;/p-2"	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-]	JISRTQBQFQMSLG-UHFFFAOYSA-L
DG61584	Amebacillin	5351474	"fumagillin; Amebacillin; Fugilin; Fumagillin DCH; Fumadil B; NSC9168; Fumidil B; U 5762; H-3; NSC-9168; 23110-15-8; WLN: BT3OTJ B C2UY; CHEMBL1992691; 2,6,8-Decatetraene-dioic acid, 4-(1,2-epoxy-1,5-dimethyl-4-hexenyl)-5-methoxy-1-oxaspiro[2.5]oct-6-yl ester; 2,6,8-Decatetraenedioic acid, 4-(1,2-epoxy-1,5-dimethyl-4-hexenyl)-5-methoxy-1-oxaspiro[2.5]oct-6-yl ester; 2,6,8-Decatetraenedioic acid, mono[4-(1,2-epoxy-1,5-dimethyl-4-hexenyl)-5-methoxy-1-oxaspiro[2.5]oct-6-yl] ester; 2,6,8-Decatetraenedioic acid, mono[5-methoxy-4-[2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl] ester, [3R-[3.alpha.,4.alpha.(2R*,3R*),5.beta.,6.beta.(all-E)]]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9168	.	.	.	.	458.5	C26H34O7	97.9	879	4	33	1	7	11	"InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9-,12-10+"	CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)/C=C/C=C/C=C/C=C\\C(=O)O)OC)C	NGGMYCMLYOUNGM-DEHUIYDQSA-N
DG61585	Sempervirine nitrate	5351497	"Sempervirine nitrate; 5436-46-4; NSC21728; nitric acid;16,17,18,19-tetrahydroyohimban; DTXSID70417707; NSC-21728"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21728	.	.	.	.	335.4	C19H17N3O3	83.9	517	.	25	1	4	0	"InChI=1S/C19H16N2.HNO3/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1;2-1(3)4/h3-4,7-12H,1-2,5-6H2;(H,2,3,4)"	C1CCC2=CN3C=CC4=C5C=CC=CC5=NC4=C3C=C2C1.[N+](=O)(O)[O-]	IECUCQNAZVURGY-UHFFFAOYSA-N
DG61586	Rubremetinium chloride	5351504	"NSC25463; Rubrametinium chloride; Rubremetinium chloride; NSC-25463; RUBREMETINIUM CHLORIDE, HEXAHYDRATE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	25463	.	.	.	.	509	C29H33ClN2O4	44.9	804	.	36	0	5	5	"InChI=1S/C29H33N2O4.ClH/c1-6-17-16-30-9-7-19-12-25(33-3)27(35-5)15-22(19)28(30)29-21(17)13-23-20-14-26(34-4)24(32-2)11-18(20)8-10-31(23)29;/h11-15,17H,6-10,16H2,1-5H3;1H/q+1;/p-1"	CCC1C[N+]2=C(C3=CC(=C(C=C3CC2)OC)OC)C4=C1C=C5N4CCC6=CC(=C(C=C65)OC)OC.[Cl-]	CRBBMSBWSQARPS-UHFFFAOYSA-M
DG61587	CID 5351519	5351519	NSC32944	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32944	.	.	.	.	502.1	C28H38ClN2O4-	63.2	664	.	35	2	7	6	"InChI=1S/C28H38N2O4.ClH/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23;/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3;1H/p-1/t17-,20-,23+,24-;/m0./s1"	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC.[Cl-]	NWYUGUJIBCMDEB-QJAXAJGISA-M
DG61588	NSC33669	5351520	"(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;chloride; NSC33669"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33669	.	.	.	.	516.1	C29H40ClN2O4-	52.2	679	.	36	1	7	7	"InChI=1S/C29H40N2O4.ClH/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;1H/p-1/t18-,21-,24+,25-;/m0./s1"	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.[Cl-]	HUEYSSLYFJVUIS-MRFSYGAJSA-M
DG61589	NSC76411	5351538	"[6-[2-[6-[[(3S)-6-[5-acetyloxy-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-3-methyl-2-oxopentyl]-8,9-dihydroxy-1-oxo-3,4-dihydro-2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]oxy-5-hydroxyoxan-4-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-methylpropanoate; NULL"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76411	.	.	.	.	1197.3	C58H84O26	359	2230	2.7	84	8	26	21	"InChI=1S/C58H84O26/c1-23(2)56(68)84-55-27(6)77-44(21-57(55,9)69)80-37-18-40(73-22-36(37)63)81-38-19-43(74-24(3)47(38)64)83-52-33(53(72-12)54(67)58(10,70)28(7)59)15-31-13-30-14-32(16-34(61)45(30)48(65)46(31)49(52)66)79-42-20-39(51(26(5)76-42)78-29(8)60)82-41-17-35(62)50(71-11)25(4)75-41/h13-14,16,23-28,33,35-44,47,50-53,55,59,61-65,69-70H,15,17-22H2,1-12H3/t24 ,25 ,26 ,27 ,28-,33-,35 ,36 ,37 ,38 ,39 ,40 ,41 ,42 ,43 ,44 ,47 ,50 ,51 ,52 ,53+,55 ,57 ,58+/m1/s1"	CC1C(C(CC(O1)OC2[C@@H](CC3=CC4=CC(=CC(=C4C(=C3C2=O)O)O)OC5CC(C(C(O5)C)OC(=O)C)OC6CC(C(C(O6)C)OC)O)[C@@H](C(=O)[C@](C)([C@@H](C)O)O)OC)OC7CC(C(CO7)O)OC8CC(C(C(O8)C)OC(=O)C(C)C)(C)O)O	BMSLAZQLURQWEW-QPPHFNEGSA-N
DG61590	"(6aR)-10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-2,11-diol;chloride"	5351541	NSC43486	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43486	.	.	.	.	333.8	C18H20ClNO3	54.1	417	.	23	3	4	1	"InChI=1S/C18H19NO3.ClH/c1-19-6-5-11-7-12(20)9-13-16(11)14(19)8-10-3-4-15(22-2)18(21)17(10)13;/h3-4,7,9,14,20-21H,5-6,8H2,1-2H3;1H/t14-;/m1./s1"	C[NH+]1CCC2=C3[C@H]1CC4=C(C3=CC(=C2)O)C(=C(C=C4)OC)O.[Cl-]	PKNXICFDFBSZMX-PFEQFJNWSA-N
DG61591	NSC44185	5351543	"(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;triiodobismuthane; NSC44185; Emetine compound with Bismuth; NCI60_004023"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	44185	.	.	.	.	1070.3	C29H40BiI3N2O4	52.2	687	.	39	1	6	7	"InChI=1S/C29H40N2O4.Bi.3HI/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;;3*1H/q;+3;;;/p-3/t18-,21-,24+,25-;;;;/m0..../s1"	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.I[Bi](I)I	VHDMKRGRHURPJE-ZRORTGKGSA-K
DG61592	Magnamycin A	5351548	"Carbomycin A; NSC51001; CARBOMYCIN; Magnamycin A; Deltamycin A4; Carbomycin acetate; Leucomycin V,13-epoxy-9-oxo-, 3-acetate 4(sup b)-(3-methylbutanoate; GS MAI 5201 52 3; GS-MAI 5201-52-3; 9-Deoxy-12,13-epoxy-9-oxoleucomycin V 3-acetate 4(sup b)-(3-methylbutanoate); 10-Hexadecenoic acid,5-dihydroxy-4,6-dimethylpyran-2-yl)oxy]-pyran-2-yl]oxy]-12,13-epoxy-6-(formylmethyl)-3,15-dihydroxy-4-methoxy-8-methyl-9-oxo-,.omega.-lactone, acetate, isovalerate; Leucomycin V,13-epoxy-12,13-dihydro-9-oxo-, 3-acetate 4B-(3-methylbutanoate), (12R,13S)-; Leucomycin V,13-epoxy-12,13-dihydro-9-oxo-, 3-acetate 4B-(3-methylbutanoate), (12S,13S)-; WLN: T3-17- BO GOV PV QUTJ EOV1 JOVY2&1 KO1 M1VH O1 NO- BT6OTJ CQ DN2&2 F1 EO- BT6OTJ DQ D1 EQ F1; CHEMBL1979878; 4564-87-8; NSC55924; NSC-51001; NSC-55924; 10-Hexadecenoic acid,5-dihydroxy-4,6-dimethylpyran-2-yl)oxy]pyran-2-yl]oxy]-12,13-epoxy-6-(formylmethyl)-3,15-dihydroxy-4-methoxy-8-methyl-9-oxo-, .omega.-lactone, acetate, isovalerate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51001	.	.	.	.	842	C42H67NO16	215	1470	1.8	59	2	17	14	"InChI=1S/C42H67NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h12-13,15,21-25,27,29-31,34-41,49-50H,14,16-20H2,1-11H3/b13-12+/t22-,23-,24 ,25 ,27+,29 ,30+,31-,34 ,35 ,36 ,37 ,38+,39+,40 ,41 ,42 /m1/s1"	C[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O[C@@H](C[C@H]2C(O2)/C=C/C1=O)C)OC(=O)C)OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O	FQVHOULQCKDUCY-LMCPXSJKSA-N
DG61593	Chromomycin	5351560	chromomycin a3; Chromomycin; NSC58514; Antibiotic from Streptomyces griseus; 7059-24-7; CHEMBL409466; AKOS030213124; CCG-208175; NCI60_004421; WLN: L C666 DVT&&J BQ FYO1&VYQYQ1 M1 NQ LO- BT6OTJ DOV1 F1 EO- BT6OTJ DQ EO1F1&& EO- BT6OTJ EQ F1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58514	.	.	.	.	1183.2	C57H82O26	359	2190	2.3	83	8	26	20	"InChI=1S/C57H82O26/c1-21-34(79-40-19-37(53(26(6)75-40)77-28(8)59)82-38-16-33(61)52(70-11)25(5)74-38)15-31-13-30-14-32(54(71-12)51(68)46(63)22(2)58)55(50(67)44(30)49(66)43(31)45(21)62)83-41-18-35(47(64)24(4)73-41)80-39-17-36(48(65)23(3)72-39)81-42-20-57(10,69)56(27(7)76-42)78-29(9)60/h13,15,22-27,32-33,35-42,46-48,52-56,58,61-66,69H,14,16-20H2,1-12H3/t22-,23 ,24 ,25 ,26 ,27 ,32+,33 ,35 ,36 ,37 ,38 ,39 ,40 ,41 ,42 ,46+,47 ,48 ,52 ,53 ,54+,55+,56 ,57 /m1/s1"	CC1C(C(CC(O1)O[C@H]2[C@@H](CC3=C(C2=O)C(=C4C(=C3)C=C(C(=C4O)C)OC5CC(C(C(O5)C)OC(=O)C)OC6CC(C(C(O6)C)OC)O)O)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC(=O)C)(C)O)O	ZYVSOIYQKUDENJ-MNGCYDFMSA-N
DG61594	NSC61586	5351562	"[2-[2-[2-[2-[[6-amino-2-(1,3-diamino-3-oxopropyl)-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[2-[4-(4-carbamoyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyethyl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate; NSC61586"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	61586	.	.	.	.	1256.3	C49H73N15O20S2	639	2350	-8.1	86	18	29	30	"InChI=1S/C49H73N15O20S2/c1-16-29(61-42(64-40(16)52)20(50)9-27(51)68)45(77)63-31(46(78)58-18(3)32(69)17(2)43(75)62-30(19(4)67)44(76)56-7-5-28-59-23(14-85-28)47-60-22(13-86-47)41(53)74)37(21-10-55-15-57-21)83-48-39(36(73)33(70)25(11-65)82-48)80-8-6-24-34(71)38(84-49(54)79)35(72)26(12-66)81-24/h10,13,15,17-20,23-26,30-39,48,65-67,69-73H,5-9,11-12,14,50H2,1-4H3,(H2,51,68)(H2,53,74)(H2,54,79)(H,55,57)(H,56,76)(H,58,78)(H,62,75)(H,63,77)(H2,52,61,64)"	CC1=C(N=C(N=C1N)C(CC(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OCCC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(CS5)C6=NC(=CS6)C(=O)N)O	FXNFTGVSVMRTSS-UHFFFAOYSA-N
DG61595	Chelerythrine hydroxide	5351594	"Chelerythrine hydroxide; Helleritrine hydroxide; Chelerythrinium hydroxide; 478-03-5; UNII-65ML87R6OI; Toddaline; 65ML87R6OI; NSC76023; Toddalin hydroxide; 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;hydroxide; Toddaline hydroxide; Chelerythrine aurichloride; NSC 76023; SCHEMBL288916; CHEMBL1971693; DTXSID60963940; NSC-76023; Chelerythrine, compd. with gold chloride (AuCl3); Q27263891; [1,6-c]phenanthridinium, 1,2-dimethoxy-12-methyl-, hydroxide; (1,3)Benzodioxolo(5,6-c)phenanthridinium, 1,2-dimethoxy-12-methyl-, hydroxide (9CI); 1,2-Dimethoxy-12-methyl-9H-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium hydroxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76023	.	.	.	.	365.4	C21H19NO5	41.8	516	.	27	1	5	2	"InChI=1S/C21H18NO4.H2O/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;/h4-10H,11H2,1-3H3;1H2/q+1;/p-1"	C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[OH-]	YZYNINHQZLUUAW-UHFFFAOYSA-M
DG61596	Ossamycin	5351598	"Ossamycin; MLS002702998; NSC76627; SMR001566807; Antibiotic B 61,893; CHEMBL1713335; NSC-76627; B 61893K621"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76627	.	.	.	.	912.2	C49H85NO14	217	1560	4.7	64	7	15	6	"InChI=1S/C49H85NO14/c1-11-34(51)26-35-19-17-24-48(62-35)28-37-30(2)38(63-48)29-49(58)33(27-45(5,6)64-49)18-15-13-12-14-16-23-46(7,56)44(55)42(61-40-21-20-36(50(9)10)32(4)59-40)41(53)31(3)43(54)47(8,57)25-22-39(52)60-37/h15,18,22,25,30-38,40-44,51,53-58H,11-14,16-17,19-21,23-24,26-29H2,1-10H3/b18-15+,25-22+/t30-,31+,32 ,33+,34+,35+,36 ,37-,38-,40 ,41+,42-,43-,44+,46+,47+,48+,49-/m0/s1"	CC[C@H](C[C@H]1CCC[C@]2(O1)C[C@H]3[C@@H]([C@@H](O2)C[C@]4([C@@H](CC(O4)(C)C)/C=C/CCCCC[C@@]([C@@H]([C@H]([C@@H]([C@H]([C@@H]([C@](/C=C/C(=O)O3)(C)O)O)C)O)OC5CCC(C(O5)C)N(C)C)O)(C)O)O)C)O	XGECDDPXIKFBTE-ZVNFYDRVSA-N
DG61597	"Gluconic acid, barium salt"	5351603	"NSC1945; NSC-1945; 5328-41-6; CHEMBL1992758; GLUCONIC ACID, BARIUM SALT"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1945	.	.	.	.	333.48	C6H12BaO7+2	138	170	.	14	6	7	5	"InChI=1S/C6H12O7.Ba/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+2"	C(C(C(C(C(C(=O)O)O)O)O)O)O.[Ba+2]	MCLZYIDQYSMHKE-UHFFFAOYSA-N
DG61598	Trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium;iodide	5351669	NSC16116; NSC-16116; CHEMBL1983854	.	.	Investigative Drug(s)	Investigative	Small molecular drug	16116	.	.	.	.	403.3	C15H22IN3S	44.4	265	.	20	0	4	6	"InChI=1S/C15H22N3S.HI/c1-18(2,3)11-10-17(13-14-7-6-12-19-14)15-8-4-5-9-16-15;/h4-9,12H,10-11,13H2,1-3H3;1H/q+1;/p-1"	C[N+](C)(C)CCN(CC1=CC=CS1)C2=CC=CC=N2.[I-]	UXIONEDRDIBJNE-UHFFFAOYSA-M
DG61599	"trimethyl-[2-[(1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)amino]ethyl]azanium;iodide"	5351688	NSC18613; NSC-18613	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18613	.	.	.	.	376.3	C15H27IN3+	12	271	.	19	1	2	4	"InChI=1S/C15H27N3.HI/c1-17(2,3)13-11-16-18(4)12-7-9-14-8-5-6-10-15(14)18;/h5-6,8,10,16H,7,9,11-13H2,1-4H3;1H/q+2;/p-1"	C[N+]1(CCCC2=CC=CC=C21)NCC[N+](C)(C)C.[I-]	QOECGMXPDUUXOR-UHFFFAOYSA-M
DG61600	"methyl (1S,15R,20S)-18-hydroxy-3,11,12,13,14,15,16,17,18,19,20,21-dodecahydro-1H-yohimban-13-ium-19-carboxylate;chloride"	5351693	NSC19509	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19509	.	.	.	.	390.9	C21H27ClN2O3	66.8	555	.	27	3	4	2	"InChI=1S/C21H26N2O3.ClH/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H/t12-,15-,17-,18 ,19 ;/m0./s1"	COC(=O)C1[C@H]2C[C@H]3C4=C(CC[NH+]3C[C@@H]2CCC1O)C5=CC=CC=C5N4.[Cl-]	PIPZGJSEDRMUAW-CCRVYIOLSA-N
DG61601	"Cadmium;1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid"	5351702	NSC22225; NSC-22225	.	.	Investigative Drug(s)	Investigative	Small molecular drug	22225	.	.	.	.	501.2	C9H4CdCl6O4	74.6	487	.	20	2	4	2	"InChI=1S/C9H4Cl6O4.Cd/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15;/h1-2H,(H,16,17)(H,18,19);"	C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O.[Cd]	DNTKXOBGRPJSCS-UHFFFAOYSA-N
DG61602	[4-[(Z)-(2-acetamidofluoren-9-ylidene)methyl]phenyl]-trimethylazanium;iodide	5351711	"NSC24037; NSC-24037; CHEMBL1977491; N-(9-(4-(trimethylamino)benzylidene)-9H-fluoren-2-yl)acetamide, iodide salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24037	.	.	.	.	496.4	C25H25IN2O	29.1	596	.	29	1	2	3	"InChI=1S/C25H24N2O.HI/c1-17(28)26-19-11-14-23-21-7-5-6-8-22(21)24(25(23)16-19)15-18-9-12-20(13-10-18)27(2,3)4;/h5-16H,1-4H3;1H/b24-15-;"	CC(=O)NC1=CC\\2=C(C=C1)C3=CC=CC=C3/C2=C/C4=CC=C(C=C4)[N+](C)(C)C.[I-]	OLOCRXQYWJSDSC-QLENHXGTSA-N
DG61603	"6-chloro-5-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide"	5351722	NSC25861; CHEMBL1983214; ZINC01628087; NCI60_002071	.	.	Investigative Drug(s)	Investigative	Small molecular drug	25861	.	.	.	.	309.8	C8H8ClN3O4S2	135	562	0.1	18	2	6	1	"InChI=1S/C8H8ClN3O4S2/c1-4-7(9)5(17(10,13)14)2-6-8(4)11-3-12-18(6,15)16/h2-3H,1H3,(H,11,12)(H2,10,13,14)"	CC1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2	UNUUPKIWWPPKGU-UHFFFAOYSA-N
DG61604	1-Methyl-1-[4-(1-methylazocan-1-ium-1-yl)butyl]azocan-1-ium;bromide	5351731	NSC28408; NSC-28408; 5471-64-7	.	.	Investigative Drug(s)	Investigative	Small molecular drug	28408	.	.	.	.	390.5	C20H42BrN2+	0	254	.	23	0	1	5	"InChI=1S/C20H42N2.BrH/c1-21(15-9-5-3-6-10-16-21)19-13-14-20-22(2)17-11-7-4-8-12-18-22;/h3-20H2,1-2H3;1H/q+2;/p-1"	C[N+]1(CCCCCCC1)CCCC[N+]2(CCCCCCC2)C.[Br-]	MFXAOHPXYRAHIV-UHFFFAOYSA-M
DG61605	"1-(4-Phenylphenyl)-2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)ethanone;iodide"	5351745	"NSC35450; NSC-35450; CHEMBL1993864; 1-[2-(biphenyl-4-yl)-2-oxoethyl]-3,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35450	.	.	.	.	462.3	C20H23IN4O	26.8	467	.	26	0	5	4	"InChI=1S/C20H23N4O.HI/c25-20(10-24-14-21-11-22(15-24)13-23(12-21)16-24)19-8-6-18(7-9-19)17-4-2-1-3-5-17;/h1-9H,10-16H2;1H/q+1;/p-1"	C1N2CN3CN1C[N+](C2)(C3)CC(=O)C4=CC=C(C=C4)C5=CC=CC=C5.[I-]	CRAOGNOTDDTUBO-UHFFFAOYSA-M
DG61606	2-(4-Isoquinolin-2-ium-2-ylbutyl)isoquinolin-2-ium;bromide	5351749	NSC36369; NSC-36369; 67258-24-6	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36369	.	.	.	.	394.3	C22H22BrN2+	7.8	346	.	25	0	1	5	"InChI=1S/C22H22N2.BrH/c1-3-9-21-17-23(15-11-19(21)7-1)13-5-6-14-24-16-12-20-8-2-4-10-22(20)18-24;/h1-4,7-12,15-18H,5-6,13-14H2;1H/q+2;/p-1"	C1=CC=C2C=[N+](C=CC2=C1)CCCC[N+]3=CC4=CC=CC=C4C=C3.[Br-]	QPVPVCDGRWSRMY-UHFFFAOYSA-M
DG61607	"5,5-dimethyl-2-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-dioxane"	5351757	"NSC38684; NSC-38684; CHEMBL1964704; 61920-53-4; 1, 5,5-dimethyl-4-(1-methylethyl)-2- (2-phenylethenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38684	.	.	.	.	260.399	C17H24O2	18.5	300	4.6	19	0	2	3	"InChI=1S/C17H24O2/c1-13(2)16-17(3,4)12-18-15(19-16)11-10-14-8-6-5-7-9-14/h5-11,13,15-16H,12H2,1-4H3/b11-10+"	CC(C)C1C(COC(O1)/C=C/C2=CC=CC=C2)(C)C	XFPWGDOQIRBMFK-ZHACJKMWSA-N
DG61608	(NE)-N-[1-(9-bromophenanthren-3-yl)ethylidene]hydroxylamine	5351779	NSC44477; NSC-44477; CHEMBL1973790; 6632-92-4; NCI44477; CCG-36800; ZINC100134260	.	.	Investigative Drug(s)	Investigative	Small molecular drug	44477	.	.	.	.	314.18	C16H12BrNO	32.6	357	5.1	19	1	2	1	"InChI=1S/C16H12BrNO/c1-10(18-19)11-6-7-12-9-16(17)14-5-3-2-4-13(14)15(12)8-11/h2-9,19H,1H3/b18-10+"	C/C(=N\\O)/C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br	MNNDVSWQIULTHP-VCHYOVAHSA-N
DG61609	NSC45238	5351782	"[(3S,8R,9S,10R,13S,14S,16E)-16-(1-acetyloxy-2,2,2-trifluoroethylidene)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; NSC45238; NSC-45238; SCHEMBL8739228; CHEMBL1966479; ZINC4804023; [(3S,8R,9S,10R,13S,14S,16E)-16-(1-acetyloxy-2,2,2-trifluoroethylidene)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45238	.	.	.	.	468.5	C25H31F3O5	69.7	948	4.5	33	0	8	4	"InChI=1S/C25H31F3O5/c1-13(29)32-16-7-9-23(3)15(11-16)5-6-17-19(23)8-10-24(4)20(17)12-18(21(24)31)22(25(26,27)28)33-14(2)30/h5,16-17,19-20H,6-12H2,1-4H3/b22-18+/t16-,17+,19-,20-,23-,24-/m0/s1"	CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)C/C(=C(/C(F)(F)F)\\OC(=O)C)/C4=O)C)C	NBJBKSDSMJNQOA-WDOOFUNQSA-N
DG61610	"2-(2H-1,3-benzoxazol-3-ylmethyl)-5-[(cyclohexylamino)methyl]benzene-1,4-diol;chloride"	5351811	NSC48693	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48693	.	.	.	.	389.9	C21H26ClN2O3-	65	443	.	27	3	6	5	"InChI=1S/C21H26N2O3.ClH/c24-19-11-16(13-23-14-26-21-9-5-4-8-18(21)23)20(25)10-15(19)12-22-17-6-2-1-3-7-17;/h4-5,8-11,17,22,24-25H,1-3,6-7,12-14H2;1H/p-1"	C1CCC(CC1)NCC2=CC(=C(C=C2O)CN3COC4=CC=CC=C43)O.[Cl-]	ONVCIRBTSJHKJK-UHFFFAOYSA-M
DG61611	"3-[2-(3,4-Dimethoxyphenyl)ethyl]-3,6-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-3-ium-8-one;iodide"	5351838	NSC59275; 7460-53-9; NSC-59275; CHEMBL2001606	.	.	Investigative Drug(s)	Investigative	Small molecular drug	59275	.	.	.	.	523.4	C23H26INO5	54	637	.	30	0	6	5	"InChI=1S/C23H26NO5.HI/c1-15-9-23(25)29-21-12-20-17(11-18(15)21)13-24(2,14-28-20)8-7-16-5-6-19(26-3)22(10-16)27-4;/h5-6,9-12H,7-8,13-14H2,1-4H3;1H/q+1;/p-1"	CC1=CC(=O)OC2=C1C=C3C[N+](COC3=C2)(C)CCC4=CC(=C(C=C4)OC)OC.[I-]	SIYVYRJKIPKXOS-UHFFFAOYSA-M
DG61612	"4-(3H-imidazo[1,5-a]benzimidazol-2-ium-2-yl)benzoic acid;chloride"	5351839	NSC59413; NSC-59413; CHEMBL1980911	.	.	Investigative Drug(s)	Investigative	Small molecular drug	59413	.	.	.	.	313.74	C16H12ClN3O2	58.1	456	.	22	1	4	2	"InChI=1S/C16H11N3O2.ClH/c20-16(21)11-5-7-12(8-6-11)18-9-15-17-13-3-1-2-4-14(13)19(15)10-18;/h1-8,10H,9H2;1H"	C1C2=NC3=CC=CC=C3N2C=[N+]1C4=CC=C(C=C4)C(=O)O.[Cl-]	IBILBWUILGXFME-UHFFFAOYSA-N
DG61613	N-allyl-9H-purine-6-sulfonamide	5351841	NSC61747; 90223-74-8; NSC-61747; NCIStruc1_000510; NCIStruc2_000393; CHEMBL1332120; DTXSID20417717; N-allyl-9H-purine-6-sulfonamide; NCI61747; CCG-38178; NCGC00013721; ZINC22911700; NCGC00013721-02; NCGC00096832-01; NCI60_005264	.	.	Investigative Drug(s)	Investigative	Small molecular drug	61747	.	.	.	.	239.26	C8H9N5O2S	109	352	0	16	2	6	4	"InChI=1S/C8H9N5O2S/c1-2-3-13-16(14,15)8-6-7(10-4-9-6)11-5-12-8/h2,4-5,13H,1,3H2,(H,9,10,11,12)"	C=CCNS(=O)(=O)C1=NC=NC2=C1NC=N2	KKMFKEJIAQCIPO-UHFFFAOYSA-N
DG61614	"3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethylpropan-1-amine;chloride"	5351854	NSC64875	.	.	Investigative Drug(s)	Investigative	Small molecular drug	64875	.	.	.	.	330	C19H38ClN2-	6.5	298	.	22	0	3	5	"InChI=1S/C19H38N2.ClH/c1-18(2,3)17-7-9-19(10-8-17)11-15-21(16-12-19)14-6-13-20(4)5;/h17H,6-16H2,1-5H3;1H/p-1"	CC(C)(C)C1CCC2(CC1)CCN(CC2)CCCN(C)C.[Cl-]	BHZNRXGJZXJXDO-UHFFFAOYSA-M
DG61615	"[2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-trimethylazanium;chloride"	5351860	"NSC66380; 68743-16-8; NSC-66380; CHEMBL1991220; DTXSID10988441; 2-Imino-N,N,N-trimethyl-9-pentofuranosyl-3,9-dihydro-2H-purin-6-aminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66380	.	.	.	.	360.8	C13H21ClN6O4	140	435	.	24	4	9	3	"InChI=1S/C13H21N6O4.ClH/c1-19(2,3)11-7-10(16-13(14)17-11)18(5-15-7)12-9(22)8(21)6(4-20)23-12;/h5-6,8-9,12,20-22H,4H2,1-3H3,(H2,14,16,17);1H/q+1;/p-1"	C[N+](C)(C)C1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N.[Cl-]	OAIROYKFXZPWFH-UHFFFAOYSA-M
DG61616	"Dimethyl 8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2,4-dicarboxylate oxalate"	5351875	"NSC72914; NSC-72914; CHEMBL1990164; dimethyl 8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2,4-dicarboxylate oxalate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72914	.	.	.	.	345.3	C14H19NO9	148	432	.	24	2	10	5	"InChI=1S/C12H17NO5.C2H2O4/c1-13-6-4-5-7(13)9(12(16)18-3)10(14)8(6)11(15)17-2;3-1(4)2(5)6/h6-9H,4-5H2,1-3H3;(H,3,4)(H,5,6)"	CN1C2CCC1C(C(=O)C2C(=O)OC)C(=O)OC.C(=O)(C(=O)O)O	KAMIALPVWOBCRQ-UHFFFAOYSA-N
DG61617	Indanthren Corinth RK	5351878	"NSC74702; C.I. Vat Violet 16; 4003-36-5; NSC-74702; Indanthren Corinth RK; Indanthrene Corinth RK; NCIStruc1_000221; NCIStruc2_001344; CHEMBL1333564; DTXSID40417719; Benzamide, N-[4-(2-anthraquinonylamino)-1-anthraquinonyl]-; NCI74702; ZINC3954131; CCG-37779; NCGC00013819; NCGC00013819-02; NCGC00096929-01; NCI60_041637; DS-006509; C.I. 65020; Benzamide, N-[4-[ (9,10-dihydro-9,10-dioxo-2-anthracenyl)amino]-9, 10-dihydro-9,10-dioxo-1-anthracenyl]-; Benzamide,10-dihydro-9,10-dioxo-2-anthracenyl)amino]-9,10-dihydro-9,10-dioxo-1-anthracenyl]-; N-(4-((9,10-dioxo-9,10-dihydro-2-anthracenyl)amino)-9,10-dioxo-9,10-dihydro-1-anthracenyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	74702	.	.	.	.	548.5	C35H20N2O5	109	1110	7.3	42	2	6	4	"InChI=1S/C35H20N2O5/c38-31-21-10-4-5-11-22(21)32(39)26-18-20(14-15-25(26)31)36-27-16-17-28(37-35(42)19-8-2-1-3-9-19)30-29(27)33(40)23-12-6-7-13-24(23)34(30)41/h1-18,36H,(H,37,42)"	C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC4=CC5=C(C=C4)C(=O)C6=CC=CC=C6C5=O)C(=O)C7=CC=CC=C7C3=O	SJXWLTLBIFRQQM-UHFFFAOYSA-N
DG61618	"6,6-Dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride"	5351906	NSC88903; MLS002701934; 2113-06-6; NSC-88903; SCHEMBL6115548; CHEMBL1969862; DTXSID50417720	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88903	.	.	.	.	309.84	C15H24ClN5	80	380	.	21	3	1	5	"InChI=1S/C15H23N5.ClH/c1-15(2)19-13(16)18-14(17)20(15)11-7-6-10-12-8-4-3-5-9-12;/h3-5,8-9H,6-7,10-11H2,1-2H3,(H4,16,17,18,19);1H"	CC1(N=C(N=C(N1CCCCC2=CC=CC=C2)N)N)C.Cl	FGTPCWJUDVKRLB-UHFFFAOYSA-N
DG61619	"3-(3,10-Dimethyl-3-azoniaspiro[5.5]undecan-3-yl)propyl-trimethylazanium;iodide"	5351927	NSC95676; NSC-95676	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95676	.	.	.	.	409.4	C18H38IN2+	0	308	.	21	0	1	4	"InChI=1S/C18H38N2.HI/c1-17-8-6-9-18(16-17)10-14-20(5,15-11-18)13-7-12-19(2,3)4;/h17H,6-16H2,1-5H3;1H/q+2;/p-1"	CC1CCCC2(C1)CC[N+](CC2)(C)CCC[N+](C)(C)C.[I-]	HGCKJAKPWSCEMA-UHFFFAOYSA-M
DG61620	"(3,5-Dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride"	5351940	NSC99543; NSC-99543; CHEMBL1978054	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99543	.	.	.	.	385.9	C26H24ClN	23.8	486	.	28	2	1	4	"InChI=1S/C26H23N.ClH/c1-18-14-19(2)16-23(15-18)26(27)25-13-6-4-9-22(25)17-21-11-7-10-20-8-3-5-12-24(20)21;/h3-16,27H,17H2,1-2H3;1H"	CC1=CC(=CC(=C1)C(=N)C2=CC=CC=C2CC3=CC=CC4=CC=CC=C43)C.Cl	WOMKVSGMAMIPRV-UHFFFAOYSA-N
DG61621	"5,5'-(3H-2,1-Benzoxathiol-3-ylidene)bis(3-methylsalicylic) acid S,S-dioxide, sodium salt"	5351961	"NSC112257; 83784-16-1; NSC-112257; 5,5'-(3H-2,1-Benzoxathiol-3-ylidene)bis(3-methylsalicylic) acid S,S-dioxide, sodium salt; Eriochrome Cyanine R (C.I. 43820); EINECS 280-847-2; C.I. Mordant Blue 3, trisodium salt; FT-0625690; D90459; Benzoic acid,5-cyclohexadien-1-ylidene)(2-sulfophenyl)methyl]-2-hydroxy-3-methyl-, trisodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112257	.	.	.	.	493.4	C23H18NaO9S+	167	839	.	34	4	9	4	"InChI=1S/C23H18O9S.Na/c1-11-7-13(9-15(19(11)24)21(26)27)23(14-8-12(2)20(25)16(10-14)22(28)29)17-5-3-4-6-18(17)33(30,31)32-23;/h3-10,24-25H,1-2H3,(H,26,27)(H,28,29);/q;+1"	CC1=CC(=CC(=C1O)C(=O)O)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)C(=O)O.[Na+]	HJEGHSWGWSAZBS-UHFFFAOYSA-N
DG61622	2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid	5351984	NSC120672; MLS002707049; NSC-120672; CHEMBL1987366; CCG-36589; NCI120672; ZINC13703967	.	.	Investigative Drug(s)	Investigative	Small molecular drug	120672	.	.	.	.	326.3	C21H14N2O2	62	532	4.5	25	1	4	3	"InChI=1S/C21H14N2O2/c24-21(25)15-8-2-1-7-14(15)13-22-23-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h1-13H,(H,24,25)/b22-13+"	C1=CC=C(C(=C1)/C=N/N=C2C3=CC=CC=C3C4=CC=CC=C42)C(=O)O	AMULTEKXIYUBCP-LPYMAVHISA-N
DG61623	"Laudanosolinium, bromide (+-)-"	5351989	"NSC121848; NSC-121848; CHEMBL1078444; Laudanosolinium, bromide (.+-.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121848	.	.	.	.	396.3	C18H22BrNO4	80.9	416	.	24	4	5	2	"InChI=1S/C18H21NO4.BrH/c1-19(2)6-5-12-9-17(22)18(23)10-13(12)14(19)7-11-3-4-15(20)16(21)8-11;/h3-4,8-10,14H,5-7H2,1-2H3,(H3-,20,21,22,23);1H"	C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)O)O)O)O)C.[Br-]	HUZUHDCHZYBHGN-UHFFFAOYSA-N
DG61624	Ermanin	5352001	"Ermanin; 20869-95-8; 5,7-Dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one; 3,4'-Dimethoxychrysin; 5,7-Dihydroxy-3,4'-dimethoxyflavone; 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one; Kaempferol 3,4'-di-O-methyl ether; Kaempferol-3,4'-dimethylether; 3,4'-dimethylkaempferol; NSC31882; NSC-31882; UNII-850D90YJN3; CHEMBL309061; 5,7-Dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4-benzopyrone; Kaempferol 3,4'-dimethyl ether; 850D90YJN3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)-; 5,7-Dihydroxy-3-methoxy-2-(4-methoxy-phenyl)-chromen-4-one; Chrysin,4'-dimethoxy-; 3,4'-dimethoxykaempferol; 3,4'-O-dimethylkaempferol; Chrysin, 3,4'-dimethoxy-; MEGxp0_000250; SCHEMBL2875089; Kaempferol-3,4'-dimethyl ether; DTXSID90174986; CHEBI:146142; HY-N3848; ZINC5733537; EINECS 244-093-8; BDBM50240619; LMPK12112697; NSC 31882; kaempferol-3,4''-di-O-methyl ether; 3,4'-dimethoxy-5,7-dihydroxyflavone; AKOS015963884; 5,7-dihydroxy-3,4''-dimethoxyflavone; NCI60_002742; DB-045411; CS-0024327; FT-0638054; W1683; Q3056707; 5,7-Dihydroxy-3-methoxy-2-(4-methoxy-phenyl)chromen-4one; 5,7-Dihydroxy-3-methoxy-2-(4-methoxy-phenyl)chromen-4-one; 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one; 5,7-Dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	31882	.	.	.	.	314.29	C17H14O6	85.2	480	2.5	23	2	6	3	"InChI=1S/C17H14O6/c1-21-11-5-3-9(4-6-11)16-17(22-2)15(20)14-12(19)7-10(18)8-13(14)23-16/h3-8,18-19H,1-2H3"	COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC	RJCJVIFSIXKSAH-UHFFFAOYSA-N
DG61625	Retusin	5352005	"Retusin; 1245-15-4; Quercetin-3,7,3',4'-tetramethyl ether; Retusin (Ariocarpus); Retusine (Ariocarpus); Quercetin 3,7,3',4'-tetramethyl ether; Retusin(Ariocarpus); 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one; UNII-M8591903SD; 5-hydroxy-3,7,3',4'-tetramethoxyflavone; NSC61837; NSC 61837; NSC-61837; CHEMBL77966; 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4-benzopyrone; 3,7,3',4'-tetramethylquercetin; 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one; 3,3',4',7-Tetramethylquercetin; M8591903SD; Quercetin-3,3',4',7-tetramethylether; 5-Hydroxy-3,3',4',7-tetramethoxyflavone; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-; Retusine (VAN); Quercetin tetramethylether; 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one; Retusin (VAN); 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-chromen-4-one; NSC408169; EINECS 214-991-4; Quercetin 3,7,3',4'-tetramethylether; Quercetin 3,3',4',7-O-tetramethyl ether; Flavone, 5-hydroxy-3,3',4',7-tetramethoxy-; KY73; MEGxp0_001881; SCHEMBL1421755; ACon1_000513; DTXSID60924839; CHEBI:144861; Flavone,3',4',7-tetramethoxy-; HY-N6829; ZINC5733766; 3,3',4',7-O-tetramethylquercetin; BDBM50338974; LMPK12112770; MFCD00017420; NSC618937; Quercetin, 3,7,3',4'-tetramethyl; 3,7,3',4'-tetra-O-methylquercetin; Quercetin 3,3',4'-tetramethyl ether; CCG-214740; MCULE-6610076111; NSC-618937; 5-hydroxy-3,7,3,4-tetramethoxyflavone; Quercetin 3,3',4',7-tetramethylether; Quercetin-3,7,3',4'-tetramethylether; NCGC00169008-01; quercetin 3,3',4',7-tetramethyl ether; NCI60_003907; NCI60_003908; NCI60_003909; NCI60_005562; DB-041775; quercitin-3,7,3'',4''-tetramethyl ether; CS-0100247; FT-0633509; Q7317388; BRD-K49158532-001-01-9; BRD-K49158532-001-02-7; Flavone, 5-hydroxy-3,3',4',7-tetramethoxy- (8CI); 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4-benzopyron; 2-(3,4-Dimethoxy-phenyl)-5-hydroxy-3,7-dimethoxy-chromen-4-one; 4H-1-Benzopyran-4-one,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-; 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one #; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	61837	.	.	.	.	358.3	C19H18O7	83.4	546	3.5	26	1	7	5	"InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3"	COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC	HHGPYJLEJGNWJA-UHFFFAOYSA-N
DG61626	Cochliobolin A	5352017	"Cochliobolin A; NSC114340; 4611-05-6; NSC-114340; CHEMBL1967869; Ophiobola-7, 14,18-epoxy-3-hydroxy-5-oxo-, (18R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114340	.	.	.	.	400.5	C25H36O4	63.6	778	3.5	29	1	4	2	"InChI=1S/C25H36O4/c1-15(2)10-18-11-16(3)25(29-18)9-8-23(4)12-19-22(20(27)13-24(19,5)28)17(14-26)6-7-21(23)25/h6,10,14,16,18-19,21-22,28H,7-9,11-13H2,1-5H3/b17-6-"	CC1CC(OC12CCC3(C2C/C=C(\\C4C(C3)C(CC4=O)(C)O)/C=O)C)C=C(C)C	MWYYLZRWWNBROW-FMQZQXMHSA-N
DG61627	Spectinabilin	5352028	"Spectinabilin; NEOAUREOTHIN; 59795-94-7; NSC260179; 2-methoxy-3,5-dimethyl-6-[(4Z)-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)hepta-2,4,6-trienylidene]oxolan-2-yl]pyran-4-one; 28900-27-8; (+)-2-Methoxy-3,5-dimethyl-6-[4-[7-(4-nitrophenyl)-2,4,6-trimethyl-2,4,6-heptatrienylidene]tetrahydrofuran-2-yl]-4H-pyran-4-one; UNII-NH93BW6NAQ; NH93BW6NAQ; Neoaureothin*; NSC 260179; CHEMBL2005277; 4H-Pyran-4-one, 2-methoxy-3,5-dimethyl-6-[tetrahydro-4-[2,4,6-trimethyl-7-(4-nitrophenyl)-2,4,6-heptatrienylidene]-2-furanyl]-, (+)-; NSC-260179; J-017320; Q18392327; 2-Methoxy-3,5-dimethyl-6-((4Z)-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)-2,4,6-heptatrienylidene]tetrahydro-2-furanyl)-4H-pyran-4-one #; 2-methoxy-3,5-dimethyl-6-[(4Z)-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)hepta-2,4,6-trienylidene]tetrahydrofuran-2-yl]pyran-4-one; 2-methoxy-3,5-dimethyl-6-{(4Z)-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)hepta-2,4,6-trien-1-ylidene]tetrahydrofuran-2-yl}-4H-pyran-4-one; 4H-Pyran-4-one, 2-methoxy-3,5-dimethyl-6-((4Z)-tetrahydro-4-((2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)-2,4,6-heptatrienylidene)-2-furanyl)-; 4H-Pyran-4-one, 2-methoxy-3,5-dimethyl-6-[tetrahydro-4-[2,4,6-trimethyl-7-(p-nitrophenyl)-2,4,6-heptatrienylidene]-2-furyl]-, (+)-; 4H-Pyran-4-one,5-dimethyl-6-[tetrahydro-4-[2,4,6-trimethyl-7-(4-nitrophenyl)-2,4,6-heptatrienylidene]-2-furanyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	260179	.	.	.	.	477.5	C28H31NO6	90.6	1040	6.2	35	0	6	6	"InChI=1S/C28H31NO6/c1-17(11-18(2)13-22-7-9-24(10-8-22)29(31)32)12-19(3)14-23-15-25(34-16-23)27-20(4)26(30)21(5)28(33-6)35-27/h7-14,25H,15-16H2,1-6H3/b17-11+,18-13+,19-12+,23-14-"	CC1=C(OC(=C(C1=O)C)OC)C2C/C(=C/C(=C/C(=C/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C)/C)/C)/CO2	IZICQJAGBLBAMJ-MNOZRKQQSA-N
DG61628	NSC268993	5352029	5-[[4-[5-[[4-[5-[Acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylazanium;chloride; NSC268993; 1950-39-6; 5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylazanium;chloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	268993	.	.	.	.	597.1	C25H49ClN6O8	208	739	.	40	6	9	23	"InChI=1S/C25H48N6O8.ClH/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34);1H"	CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCC[NH3+])O)O)O.[Cl-]	KCRQZLMAZHZDCL-UHFFFAOYSA-N
DG61629	"Verrucarin A,8-dihydroxy-7'-(1-hydroxyethyl)-"	5352030	"NSC269753; Verrucarin A,8-dihydroxy-7'-(1-hydroxyethyl)-; BACCHARIS PRINCIPLE B-1 (B800157F246 AND K380); 7'-DEOXO-2'-DEOXY-4',8-DIHYDROXY-7'-(1-HYDROXYETHYL)VERRUCARIN A; B1; NSC-269753; B800157F246"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269753	.	.	.	.	548.6	C29H40O10	144	1070	0.7	39	3	10	1	"InChI=1S/C29H40O10/c1-16-9-23-28(12-19(16)31)14-36-26(34)10-17(2)20(32)13-35-21(18(3)30)7-5-6-8-25(33)39-22-11-24(38-23)29(15-37-29)27(22,28)4/h5-9,17-24,30-32H,10-15H2,1-4H3/b7-5+,8-6-/t17 ,18 ,19-,20 ,21 ,22+,23+,24+,27+,28+,29+/m0/s1"	CC1CC(=O)OC[C@]23C[C@@H](C(=C[C@H]2O[C@@H]4C[C@H]([C@]3([C@@]45CO5)C)OC(=O)/C=C\\C=C\\C(OCC1O)C(C)O)C)O	PYYBXMVTBWYBDY-QOOAFILCSA-N
DG61630	Sendanin	5352038	SENDANIN	.	.	Investigative Drug(s)	Investigative	Small molecular drug	299117	.	.	.	.	616.7	C32H40O12	171	1300	1.2	44	2	12	7	"InChI=1S/C32H40O12/c1-14(33)41-22-11-21(37)31-13-40-27(43-16(3)35)28(22,4)19(31)10-20(36)30(6)25(31)24(38)26(42-15(2)34)29(5)18(17-7-8-39-12-17)9-23-32(29,30)44-23/h7-8,12,18-23,25-27,36-37H,9-11,13H2,1-6H3"	CC(=O)OC1CC(C23COC(C1(C2CC(C4(C3C(=O)C(C5(C46C(O6)CC5C7=COC=C7)C)OC(=O)C)C)O)C)OC(=O)C)O	JSPJNBZMTOABAW-UHFFFAOYSA-N
DG61631	Buddledin D	5352041	"Buddledin D; Buddledin C; UNII-O9R6KL2I9S; O9R6KL2I9S; 62346-22-9; NSC314035; NSC 314035; CHEMBL464833; 62413-96-1; Q27896271; Bicyclo(7.2.0)undec-4-en-3-one, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	314035	.	.	.	.	218.33	C15H22O	17.1	360	3.5	16	0	1	0	"InChI=1S/C15H22O/c1-10-6-5-7-11(2)14(16)8-13-12(10)9-15(13,3)4/h7,12-13H,1,5-6,8-9H2,2-4H3/b11-7-/t12-,13-/m1/s1"	C/C/1=C/CCC(=C)[C@H]2CC([C@@H]2CC1=O)(C)C	KXSUIPOSVGSLQP-CUOXCHRPSA-N
DG61632	CID 5352052	5352052	Cephalostatin 2; NSC363980; 116199-48-5	.	.	Investigative Drug(s)	Investigative	Small molecular drug	363980	.	.	.	.	927.2	C54H74N2O11	201	2220	2.4	67	6	13	1	"InChI=1S/C54H74N2O11/c1-26-31-13-14-32-33-12-10-29-16-37-39(20-48(29,7)51(33,62)23-41(59)50(31,32)25-64-53(26)42(60)21-45(3,4)66-53)56-36-15-28-9-11-30-34(47(28,6)19-38(36)55-37)17-40(58)49(8)35(30)18-44-52(49,63)27(2)54(65-44)43(61)22-46(5,24-57)67-54/h14,18,26-31,33-34,40,42-44,57-58,60-63H,9-13,15-17,19-25H2,1-8H3/t26-,27-,28-,29-,30+,31+,33-,34-,40+,42+,43+,44-,46-,47-,48-,49+,50+,51+,52+,53-,54-/m0/s1"	C[C@H]1[C@H]2CC=C3[C@]2(CO[C@@]14[C@@H](CC(O4)(C)C)O)C(=O)C[C@]5([C@H]3CC[C@@H]6[C@@]5(CC7=NC8=C(C[C@]9([C@H](C8)CC[C@@H]1[C@@H]9C[C@H]([C@]2(C1=C[C@H]1[C@@]2([C@@H]([C@@]2(O1)[C@@H](C[C@@](O2)(C)CO)O)C)O)C)O)C)N=C7C6)C)O	BVGDPXVMSLWVOD-WSOSSPSCSA-N
DG61633	Romidepsin	5352062	"Romidepsin; Depsipeptide; FK228; Istodax; Antibiotic FR 901228; 128517-07-7; FR901228; FK 228; FR 901228; Chromadax; FR-901228; NSC-630176; C24H36N4O6S2; FK-228; CHEMBL343448; (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone; CHEBI:61080; NSC 630176; NSC630176; NSC754143; UNII-CX3T89XQBK; (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone; (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-bis(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone; Istodax (TN); CX3T89XQBK; HDInhib_000006; romidepsina; romidepsine; romidepsinum; OXA-12,8,20,23-TETRAZABICYCLO[8.7.6]TRICOSANE, CYCLIC PEPTIDE DERIV.; Romidepsin; FK-228; FK-901228; Probes1_000153; Probes2_000337; Romidepsin (JAN/USAN/INN); SCHEMBL677497; GTPL7006; Romidepsin, >=98% (HPLC); BDBM19151; AOB1853; Romidepsin (FK228 ,depsipeptide); ZINC3935130; 2692AH; MFCD18433404; s3020; API0005301; CS-0985; DB06176; NSC-754143; HY-15149; D06637; AB01273968-01; SR-01000941579; Q7363205; SR-01000941579-1; L-Valine,3-didehydro-2- aminobutanoyl-,.xi.-lactone, cyclic (1.fwdarw.2)-disulfide; L-Valine,3-didehydro-2-aminobutanoyl-,.xi.-lactone, cyclic (1.fwdarw.2)-disulfide; (1S,4S,7Z,10S,16E,21R)-7- ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23- tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone; (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-bis(1methylethyl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16ene-3,6,9,19,22-pentone; (E)-(1S,10S,21R)-7-[(Z)-Ethylidene]-4,21-diisopropyl-2- oxa-12,13-dithia-5,8,20,23- tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone; (E)-(1S,10S,21R)-7-[(Z)-Ethylidene]-4,21-diisopropyl-2- oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone; Cyclo[(2Z)-2-amino-2-butenoyl-L-val yl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valy l-D-cysteinyl], cyclic (3-5) disulfide; Cyclo[(2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valyl-D-cysteinyl], cyclic (3-5) disulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630176	.	.	.	.	540.7	C24H36N4O6S2	193	905	2.2	36	4	8	2	"InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1"	C/C=C\\1/C(=O)N[C@H](C(=O)O[C@H]\\2CC(=O)N[C@@H](C(=O)N[C@H](CSSCC/C=C2)C(=O)N1)C(C)C)C(C)C	OHRURASPPZQGQM-GCCNXGTGSA-N
DG61634	"[(3S,6S)-1-methyl-7-oxo-6-[[(E,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl]amino]azepan-3-yl] tetradecanoate"	5352065	NSC646846	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646846	.	.	.	.	598.8	C32H58N2O8	146	805	6	42	4	8	22	"InChI=1S/C32H58N2O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-27(36)42-24-19-20-25(32(40)34(4)22-24)33-31(39)30(41-5)29(38)28(37)26(35)21-18-23(2)3/h18,21,23-26,28-30,35,37-38H,6-17,19-20,22H2,1-5H3,(H,33,39)/b21-18+/t24-,25-,26+,28-,29+,30 /m0/s1"	CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@H](C(=O)N(C1)C)NC(=O)C([C@@H]([C@H]([C@@H](/C=C/C(C)C)O)O)O)OC	PFRKTXMXGDERHT-ZNEFJJLXSA-N
DG61635	Xestin A	5352066	"Xestin A; NSC647638; CHEMBL478559; (3R)-6-(14,16-Octadecadienyl)-6alpha-methoxy-3,6-dihydro-1,2-dioxin-3alpha-acetic acid methyl ester; 3,6-Dihydro-6alpha-methoxy-6-[(14E,16E)-14,16-octadecadienyl]-1,2-dioxin-3alpha-acetic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647638	.	.	.	.	436.6	C26H44O5	54	540	8.1	31	0	5	19	"InChI=1S/C26H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(29-3)22-20-24(30-31-26)23-25(27)28-2/h4-7,20,22,24H,8-19,21,23H2,1-3H3/b5-4+,7-6+/t24-,26+/m0/s1"	C/C=C/C=C/CCCCCCCCCCCCC[C@@]1(C=C[C@H](OO1)CC(=O)OC)OC	JYPVJTWYQWZBBU-DTDOLLENSA-N
DG61636	NSC239072	5353772	"[6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] (2E,4E)-5-phenylpenta-2,4-dienoate; mezerein; 34807-41-5; CHEMBL2007127; BDBM86431; CAS_4179; NSC_4179; NSC239072; NSC-239072; 2, 5-phenyl-, 3a,3b,3c,4a,5a,6,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-((1-methylethenyl)-6-oxo-2-phenyl-5H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-10-yl ester, [2S-[2.alpha.,3a.beta.,3b.beta.,3c.beta.,4a.beta.,5.beta.,5a.beta.,8a.beta.,8b.alpha.,9.alpha.,10.beta.(E,E),10a.beta.]]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	239072	.	.	.	.	654.7	C38H38O10	144	1470	3.8	48	3	10	8	"InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3/b15-11+,18-12+"	CC1C(C2(C3C4C1(C5C=C(C(=O)C5(C(C6(C4O6)CO)O)O)C)OC(O3)(O2)C7=CC=CC=C7)C(=C)C)OC(=O)/C=C/C=C/C8=CC=CC=C8	DLEDLHFNQDHEOJ-KFGDLTOCSA-N
DG61637	"(7Z)-4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one"	5353864	"parthenolide; (-)-Parthenolide; 29552-41-8; 20554-84-1; (7Z)-4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one; NSC157035; CHEMBL3186408; CHEBI:95124; AKOS015840066; 4xi-Germacra-1(10),11(13)-dien-12-oic acid, 4,5-epoxy-6alpha-hydroxy-, gamma-lactone; LS-14419; Q2662393; BRD-A11112921-001-01-1; 4,5-Epoxy-6alpha-hydroxy-4xi-germacra-1(10),11(13)-dien-12-oic acid gamma-lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157035	.	.	.	.	248.32	C15H20O3	38.8	437	2.3	18	0	3	0	"InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-"	C/C/1=C/CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-UITAMQMPSA-N
DG61638	Antibiotic M 4365A2	5353932	"ROSAMICIN; Antibiotic M 4365A2; NSC175150; 35834-26-5; SCHEMBL134725; 2-[(14Z)-9-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde; 3-Ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl 3,4,6-trideoxy-3-(dimethylamino)hexopyranoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175150	.	.	.	.	581.7	C31H51NO9	135	941	2.3	41	2	10	6	"InChI=1S/C31H51NO9/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30/h10,12-13,17-22,24-25,27-30,35,37H,9,11,14-16H2,1-8H3/b12-10-"	CCC1C(C2C(O2)(/C=C\\C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3C(C(CC(O3)C)N(C)C)O)CC=O)C)C)C	IUPCWCLVECYZRV-BENRWUELSA-N
DG61639	Ostreogrycin a	5354042	"Ostreogrycin a; Virginiamycin Complex; virginiamycin m1; VERNAMYCIN A; NSC87432; NSC-87432; NSC244426; NSC-244426; 8,14,15,24,25-Hexahydro-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-3H-21,18-nitrilo-1H,22H-pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone; CHEMBL1977560; 21411-53-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	244426	.	.	.	.	525.6	C28H35N3O7	139	1030	2.5	38	2	8	1	"InChI=1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5-,10-9-,18-13-"	CC1/C=C\\C(=O)NC/C=C\\C(=C/C(CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)OC1C(C)C)O)\\C	DAIKHDNSXMZDCU-RLJJXFIZSA-N
DG61640	(E)-3-Phenyl-1-(pyridin-2-yl)prop-2-en-1-one	5354119	"53940-12-8; (2E)-3-phenyl-1-(pyridin-2-yl)prop-2-en-1-one; (E)-3-Phenyl-1-(pyridin-2-yl)prop-2-en-1-one; 2-Cinnamoylpyridine; CHEMBL284742; 3-phenyl-1-(2-pyridinyl)-2-propen-1-one; 3-Phenyl-1-pyridin-2-yl-propenone; 5337-53-1; NSC798; 3-phenyl-1-(pyridin-2-yl)prop-2-en-1-one; Styryl(2-pyridyl) ketone; 2-Propen-1-one, 3-phenyl-1-(2-pyridinyl)-, (2E)-; MLS000326363; cid_5354119; NSC-798; HMS2190J03; NSC96501; ZINC4091593; BDBM50047342; MFCD00223896; NSC-96501; AKOS005085802; (E)-3-Phenyl-1-pyridin-2-yl-propenone; SMR000179002; CS-0060053; Y6283; (E)-3-phenyl-1-(2-pyridyl)prop-2-en-1-one; 2N-033; W18196; 3-PHENYL-1-(2-PYRIDYL)-2-PROPEN-1-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798	.	.	.	.	209.24	C14H11NO	30	254	3	16	0	2	3	InChI=1S/C14H11NO/c16-14(13-8-4-5-11-15-13)10-9-12-6-2-1-3-7-12/h1-11H/b10-9+	C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=N2	UYYLCENCUQKANA-MDZDMXLPSA-N
DG61641	2-methoxy-4-[(1Z)-2-nitroprop-1-en-1-yl]phenol	5354204	"2-methoxy-4-[(1Z)-2-nitroprop-1-en-1-yl]phenol; 5395-47-1; 2-methoxy-4-[(Z)-2-nitroprop-1-enyl]phenol; 2-Methoxy-4-(2-nitro-1-propenyl)phenol; NSC3298; 2-Methoxy-4-(2-nitropropenyl)phenol; ALBB-024884; NSC-3298; NSC57759; ZINC1666698; MFCD09697767; NSC-57759; AKOS003662230; LS-08255; Phenol, 2-methoxy-4-(2-nitropropenyl)-; phenol, 2-methoxy-4-[(1Z)-2-nitro-1-propenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3298	.	.	.	.	209.2	C10H11NO4	75.3	259	2.3	15	1	4	2	"InChI=1S/C10H11NO4/c1-7(11(13)14)5-8-3-4-9(12)10(6-8)15-2/h3-6,12H,1-2H3/b7-5-"	C/C(=C/C1=CC(=C(C=C1)O)OC)/[N+](=O)[O-]	FDLWTEUMNRJFCS-ALCCZGGFSA-N
DG61642	Bornyl cinnamate	5354364	"NSC7757; Cinnamic acid, endo-; Bornyl cinnamate; NSC-7757; 2-Propenoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-; 6330-67-2; CHEMBL2001016; NSC67373; NSC-67373; ZINC100133142"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7757	.	.	.	.	284.4	C19H24O2	26.3	431	5.2	21	0	2	4	"InChI=1S/C19H24O2/c1-18(2)15-11-12-19(18,3)16(13-15)21-17(20)10-9-14-7-5-4-6-8-14/h4-10,15-16H,11-13H2,1-3H3/b10-9+/t15-,16-,19-/m1/s1"	C[C@]12CC[C@@H](C1(C)C)C[C@H]2OC(=O)/C=C/C3=CC=CC=C3	ACTRLDZRLKIJEH-SUCNGJPUSA-N
DG61643	(2E)-3-(2-chlorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one	5354553	5424-02-2; 2-Chloro-4'-hydroxychalcone; (E)-3-(2-chlorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one; (2E)-3-(2-chlorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one; 3-(2-chlorophenyl)-1-(4-hydroxyphenyl)-2-propen-1-one; NSC13151; MLS000737407; 204974-26-5; 3-(2-chlorophenyl)-1-(4-hydroxyphenyl)-2- propen-1-one; 3-(2-chlorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one; CHEMBL269163; JS-081C; HMS2862O24; ZINC4428581; 5286AE; MFCD03788397; NSC-13151; STK888852; AKOS001259663; SMR000528127; J-501875; F3139-1082	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13151	.	.	.	.	258.7	C15H11ClO2	37.3	306	4	18	1	2	3	"InChI=1S/C15H11ClO2/c16-14-4-2-1-3-11(14)7-10-15(18)12-5-8-13(17)9-6-12/h1-10,17H/b10-7+"	C1=CC=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)O)Cl	GTSKIPKSVPFFLB-JXMROGBWSA-N
DG61644	(Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoic acid	5354670	(Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoic acid; NSC16729; CHEMBL1975045; ZINC4683182; NSC-16729	.	.	Investigative Drug(s)	Investigative	Small molecular drug	16729	.	.	.	.	284.31	C17H16O4	55.8	347	3.1	21	1	4	6	"InChI=1S/C17H16O4/c1-20-16-11-13(8-10-17(18)19)7-9-15(16)21-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,18,19)/b10-8-"	COC1=C(C=CC(=C1)/C=C\\C(=O)O)OCC2=CC=CC=C2	WSOBQOYHYGVEIR-NTMALXAHSA-N
DG61645	"1-[2-[(E)-heptadec-8-enyl]-5,5-dimethyl-4H-imidazol-3-yl]propan-2-ol"	5354710	NSC17759; NSC-17759	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17759	.	.	.	.	392.7	C25H48N2O	35.8	442	7.2	28	1	2	17	"InChI=1S/C25H48N2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-26-25(3,4)22-27(24)21-23(2)28/h12-13,23,28H,5-11,14-22H2,1-4H3/b13-12+"	CCCCCCCC/C=C/CCCCCCCC1=NC(CN1CC(C)O)(C)C	PDSMFQXAJKQIOL-OUKQBFOZSA-N
DG61646	"1,2-dichloro-4-[(E)-2-nitrobut-1-enyl]benzene"	5355002	NSC23477; 15873-39-9; CHEMBL1976830; DTXSID70417883; NSC-23477; ZINC17284698	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23477	.	.	.	.	246.09	C10H9Cl2NO2	45.8	263	4.2	15	0	2	2	"InChI=1S/C10H9Cl2NO2/c1-2-8(13(14)15)5-7-3-4-9(11)10(12)6-7/h3-6H,2H2,1H3/b8-5+"	CC/C(=C\\C1=CC(=C(C=C1)Cl)Cl)/[N+](=O)[O-]	IOAJWDUHRZDCAJ-VMPITWQZSA-N
DG61647	Butyl maleurate	5355031	"Butyl maleurate; UNII-6FUA0H660I; MLS000738022; 6FUA0H660I; 140-98-7; butyl (Z)-4-(carbamoylamino)-4-oxobut-2-enoate; Maleuric acid, butyl ester; Maleuric acid butyl ester [MI]; Maleamic acid, N-carbamoyl-, butyl ester; Maleamic acid, butyl ester; CHEMBL1339247; HMS2754G03; (2Z)-4-((Aminocarbonyl)amino)-4-oxo-2-butenoic acid butyl ester; NSC23994; 2-Butenoic acid, 4-((aminocarbonyl)amino)-4-oxo-, butyl ester, (Z)-; NSC 23994; NSC-23994; N-Carbamoylmaleamic acid, butyl ester; 2-Butenoic acid, butyl ester, (Z)-; ZINC100177650; SMR000393698; Q27264831; butyl (2Z)-4-[(aminocarbonyl)amino]-4-oxo-2-butenoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23994	.	.	.	.	214.22	C9H14N2O4	98.5	273	0.6	15	2	4	6	"InChI=1S/C9H14N2O4/c1-2-3-6-15-8(13)5-4-7(12)11-9(10)14/h4-5H,2-3,6H2,1H3,(H3,10,11,12,14)/b5-4-"	CCCCOC(=O)/C=C\\C(=O)NC(=O)N	PMRRCSZAUHOZGW-PLNGDYQASA-N
DG61648	7-Hydroxy-4-methyl-8-pentanoyl-2H-1-benzopyran-2-one	5355215	6324-54-5; NSC29117; CHEMBL2002909; DTXSID80417915; ZINC1651970; NSC-29117; NCI60_002393; 7-Hydroxy-4-methyl-8-pentanoyl-2H-1-benzopyran-2-one; 7-hydroxy-4-methyl-8-(1-oxopentyl)-2 h -1-benzopyran-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	29117	.	.	.	.	260.279	C15H16O4	63.6	399	3.1	19	1	4	4	"InChI=1S/C15H16O4/c1-3-4-5-11(16)14-12(17)7-6-10-9(2)8-13(18)19-15(10)14/h6-8,17H,3-5H2,1-2H3"	CCCCC(=O)C1=C(C=CC2=C1OC(=O)C=C2C)O	VOOBHYNGKGPJRX-UHFFFAOYSA-N
DG61649	"Crassin, acetate"	5355441	"Crassin acetate; NSC36437; NSC46728; MLS002607976; CRASSIN, ACETATE; CHEMBL1982247; NSC-36437; NSC-46728; 14-Oxabicyclo[11.3.1]heptadeca-4, 2-(acetyloxy)-12-hydroxy-4,8,12-trimethyl-16- methylene-, [1S-(1R*,2R*,4Z,8Z,12S*,13R*)]-; 14-Oxabicyclo[11.3.1]heptadeca-4, 2-(acetyloxy)-12-hydroxy-4,8,12-trimethyl-16-methylene-, [1S(1R*,2R*,4Z,8Z,12S*,13R*)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36437	.	.	.	.	376.5	C22H32O5	72.8	660	3.2	27	1	5	2	"InChI=1S/C22H32O5/c1-14-8-6-9-15(2)12-19(26-17(4)23)18-13-20(27-21(24)16(18)3)22(5,25)11-7-10-14/h9-10,18-20,25H,3,6-8,11-13H2,1-2,4-5H3/b14-10-,15-9+"	C/C/1=C/CCC(C2CC(C(C/C(=C/CC1)/C)OC(=O)C)C(=C)C(=O)O2)(C)O	WMGWWFHPPNGBBT-KDEUEPBXSA-N
DG61650	"6-Butyl-7,8-dihydroxy-4-methylchromen-2-one"	5355695	"6345-70-6; NSC43578; 6-butyl-7,8-dihydroxy-4-methylchromen-2-one; CHEMBL1969154; DTXSID30418013; ZINC1676265; NSC-43578; NCI60_004014"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43578	.	.	.	.	248.27	C14H16O4	66.8	350	3	18	2	4	3	"InChI=1S/C14H16O4/c1-3-4-5-9-7-10-8(2)6-11(15)18-14(10)13(17)12(9)16/h6-7,16-17H,3-5H2,1-2H3"	CCCCC1=CC2=C(C(=C1O)O)OC(=O)C=C2C	CUQYSSSRIMMNDY-UHFFFAOYSA-N
DG61651	Fabacein	5356030	"FABACEIN; 37710-13-7; NSC49452; [(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate; CHEMBL2005440; DTXSID30418058; NSC-49452"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	49452	.	.	.	.	600.7	C34H48O9	144	1320	2.7	43	2	9	8	"InChI=1S/C34H48O9/c1-18(35)42-23-16-31(7)24-12-11-20-21(15-22(37)28(40)30(20,5)6)33(24,9)26(39)17-32(31,8)27(23)34(10,41)25(38)13-14-29(3,4)43-19(2)36/h11,13-14,21-24,27,37,41H,12,15-17H2,1-10H3/b14-13+/t21-,22+,23-,24+,27+,31+,32-,33+,34+/m1/s1"	CC(=O)O[C@@H]1C[C@]2([C@@H]3CC=C4[C@H]([C@@]3(C(=O)C[C@@]2([C@H]1[C@](C)(C(=O)/C=C/C(C)(C)OC(=O)C)O)C)C)C[C@@H](C(=O)C4(C)C)O)C	VDSNEQABQQKTRF-ZHECFNFVSA-N
DG61652	Flavokawain b	5356121	"Flavokawain b; 1775-97-9; Flavokavain B; Flavokawin B; (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one; 4',6'-Dimethoxy-2'-hydroxychalcone; 2'-Hydroxy-4',6'-dimethoxychalcone; CHEBI:65899; UNII-R9WC6SM4UQ; R9WC6SM4UQ; 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenyl-, (2E)-; MLS000737282; 2',4'-dimethoxy-6'-hydroxychalcone; CHALCONE,2-HYDROXY-4,6-DIMETHYL; Flavokavin B; 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenyl-, (E)-; Spectrum5_000188; CHALCONE,6-DIMETHYL; BSPBio_001873; SPECTRUM201610; CHEMBL104255; MEGxp0_001270; SCHEMBL1675987; CHEBI:92523; HMS2267O16; HY-N2132; NSC51351; ZINC4164657; (2E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one; BDBM50491168; CCG-38384; LMPK12120246; MFCD00075877; NSC-51351; s9412; AKOS027383422; NCGC00095512-01; NCGC00095512-02; AC-34272; Chalcone, 2'-hydroxy-4',6'-dimethoxy-; SMR000528248; (E)-2'-Hydroxy-4',6'-dimethoxychalcone; CS-0018683; Y2024; 4\\',6\\'-DIMETHOXY-2\\'-HYDROXYCHALCONE; A812279; SR-01000777225; J-011297; Q5458167; SR-01000777225-3; BRD-K30296925-001-02-1; 1175-97-9; 76554-24-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51351	.	.	.	.	284.31	C17H16O4	55.8	360	3.8	21	1	4	5	"InChI=1S/C17H16O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3/b9-8+"	COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=CC=C2)O	QKQLSQLKXBHUSO-CMDGGOBGSA-N
DG61654	1-[[Phenyl(4-chlorophenyl)methylene]amino]guanidine	5356780	19992-95-1; NSC66301; ZINC4758448; NSC-66301; 1-[[Phenyl(4-chlorophenyl)methylene]amino]guanidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66301	.	.	.	.	272.73	C14H13ClN4	76.8	335	3	19	2	2	3	"InChI=1S/C14H13ClN4/c15-12-8-6-11(7-9-12)13(18-19-14(16)17)10-4-2-1-3-5-10/h1-9H,(H4,16,17,19)/b18-13-"	C1=CC=C(C=C1)/C(=N/N=C(N)N)/C2=CC=C(C=C2)Cl	DGYCGNBYYCUOGA-AQTBWJFISA-N
DG61655	"1-(4-nitrophenyl)-3-[(9E,12Z)-octadeca-9,12-dienyl]urea"	5356823	NSC67041; 6964-86-9; DTXSID10418172; NSC-67041	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67041	.	.	.	.	429.6	C25H39N3O3	87	521	8	31	2	3	16	"InChI=1S/C25H39N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26-25(29)27-23-18-20-24(21-19-23)28(30)31/h6-7,9-10,18-21H,2-5,8,11-17,22H2,1H3,(H2,26,27,29)/b7-6-,10-9+"	CCCCC/C=C\\C/C=C/CCCCCCCCNC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]	HFWGBPPQJSGWJH-IXWMQOLASA-N
DG61656	1-[(Z)-2-propylsulfonylethenyl]sulfonylpropane	5356922	"1-[(Z)-2-propylsulfonylethenyl]sulfonylpropane; Chemagro B 1843; (E)-1,1/'-[vinylenebis(sulphonyl)]bispropane; Chemagro B1843; 1113-14-0; NSC68091; trans-1,2-Bis(propylsulfonyl)ethene; B 1843; CHEMBL2003767; WLN: WS3&1U1SW3 -T; NSC-68091; NSC202835; ZINC31484296; NSC-202835; Ethylene,2-bis(propylsulfonyl)-, (E)-; Propane,1'-[1,2-ethenediylbis(sulfonyl)]bis-, (E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	68091	.	.	.	.	240.3	C8H16O4S2	85	327	0.8	14	0	4	6	"InChI=1S/C8H16O4S2/c1-3-5-13(9,10)7-8-14(11,12)6-4-2/h7-8H,3-6H2,1-2H3/b8-7-"	CCCS(=O)(=O)/C=C\\S(=O)(=O)CCC	YTPMCWYIRHLEGM-FPLPWBNLSA-N
DG61657	Cycliramine maleate	5357113	"CYCLIRAMINE MALEATE; Sch 2544; Prolergic; UNII-J542BCR0IQ; 5781-37-3; Cycliramine maleate [USAN]; J542BCR0IQ; NSC-70933; Cycliramine maleate (USAN); MLS000736777; (Z)-but-2-enedioic acid;2-[(4-chlorophenyl)-(1-methylpiperidin-4-ylidene)methyl]pyridine; Prolergic (TN); Piperidine, maleate; NSC 70933; Piperidine, maleate (1:1); SCHEMBL634920; CHEMBL1339265; NSC70933; SCH-2544; Pyridine, (Z)-2-butenedioate (1:1); D03620; Q27281215; 4-(p-Chloro-.alpha.-2-pyridylbenzylidene)-1-methylpiperidine maleate (1:1); 4-(p-Chloro-alpha-2-pyridylbenzylidene)-1-methylpiperidine maleate (1:1); Pyridine, 2-((4-chlorophenyl)(1-methyl-4-piperidinylidene)methyl)-, (Z)-2-butenedioate (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	70933	.	.	.	.	414.9	C22H23ClN2O4	90.7	480	.	29	2	6	4	"InChI=1S/C18H19ClN2.C4H4O4/c1-21-12-9-15(10-13-21)18(17-4-2-3-11-20-17)14-5-7-16(19)8-6-14;5-3(6)1-2-4(7)8/h2-8,11H,9-10,12-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-"	CN1CCC(=C(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CC1.C(=C\\C(=O)O)\\C(=O)O	KJSKCUMUVXPETM-BTJKTKAUSA-N
DG61658	(E)-1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one	5357374	MLS000736830; 2110-10-3; NSC76175; CHEMBL1987173; DTXSID60418248; ZINC4821670; NSC-76175; SMR000528340	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76175	.	.	.	.	259.69	C14H10ClNO2	50.2	313	3.4	18	1	3	3	"InChI=1S/C14H10ClNO2/c15-11-2-4-14(18)12(9-11)13(17)3-1-10-5-7-16-8-6-10/h1-9,18H/b3-1+"	C1=CC(=C(C=C1Cl)C(=O)/C=C/C2=CC=NC=C2)O	OXGJWTBAFKSYOI-HNQUOIGGSA-N
DG61659	"[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] 3-(3,4,5-trimethoxyphenyl)prop-2-ynoate"	5357424	NSC76991; CHEMBL1969194; ZINC1708301; NSC-76991	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76991	.	.	.	.	396.4	C22H20O7	72.4	620	4.2	29	0	7	8	"InChI=1S/C22H20O7/c1-24-19-12-16(13-20(25-2)22(19)26-3)7-9-21(23)27-10-4-5-15-6-8-17-18(11-15)29-14-28-17/h4-6,8,11-13H,10,14H2,1-3H3/b5-4+"	COC1=CC(=CC(=C1OC)OC)C#CC(=O)OC/C=C/C2=CC3=C(C=C2)OCO3	VQKDDERZYZYUPT-SNAWJCMRSA-N
DG61660	Crassin	5357909	CRASSIN; NSC210236; MLS002702080; CHEMBL4296967	.	.	Investigative Drug(s)	Investigative	Small molecular drug	210236	.	.	.	.	334.4	C20H30O4	66.8	546	2.8	24	2	4	0	"InChI=1S/C20H30O4/c1-12-6-5-7-13(2)9-18(22)17-11-19(24-20(23)15(17)4)14(3)10-16(21)8-12/h7-8,14,16-19,21-22H,4-6,9-11H2,1-3H3/b12-8+,13-7+"	CC1CC(/C=C(/CC/C=C(/CC(C2CC1OC(=O)C2=C)O)\\C)\\C)O	GQTPRLWQZDUWKJ-SWZPTJTJSA-N
DG61661	2-(2-Nitroethenyl)naphthalene	5357963	"(E)-2-(2-nitrovinyl)naphthalene; 2-[(E)-2-nitrovinyl]naphthalene; 2-(2-nitroethenyl)naphthalene; 2-[(E)-2-nitroethenyl]naphthalene; 21461-46-1; 37629-37-1; NSC215237; SCHEMBL793405; SCHEMBL793873; CHEMBL231659; Naphthalene, 2-(2-nitrovinyl)-; Naphthalene, 2-(2-nitroethenyl)-; ZINC1703289; ANM100840; NSC111556; AKOS017433922; NSC-111556; NSC-215237; Naphthalene, 2-[(E)-2-nitroethenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111556	.	.	.	.	199.2	C12H9NO2	45.8	257	3.8	15	0	2	1	InChI=1S/C12H9NO2/c14-13(15)8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-9H/b8-7+	C1=CC=C2C=C(C=CC2=C1)/C=C/[N+](=O)[O-]	FSQRAMKGHLSZCT-BQYQJAHWSA-N
DG61662	"2-[(4E,6E)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid"	5357974	"Borrelidin; 7184-60-3; NSC216128; Treponemycin; 2-[(4E,6E)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid; Borrelidine; NSC 216128; MLS002703027; Cyclopentanecarboxylic acid,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl)-; Cyclopentanecarboxylic acid,4E,6Z,8R,9S,11R,13S,15S, 16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]-, (1R,2R)-; TREPONEMYCIN, BORRELIDIN; CHEMBL1984032; MFCD01740784; NSC271295; NSC277295; BS-1484; NSC-216128; NSC-271295; NSC-277295; 2-(7-Cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl)-cyclopentanecarboxylic acid; Cyclopentanecarboxylic acid,16-dihydroxy-9,11, Cyclopentanecarboxylic acid, 2-[(2S,4E,6Z,8R,9S,11R,13S,15S, 16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]-, (1R,2R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	216128	.	.	.	.	489.6	C28H43NO6	128	827	5.6	35	3	7	2	"InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8+"	CC1CC(CC(C(/C(=C/C=C/CC(OC(=O)CC(C(C1)C)O)C2CCCC2C(=O)O)/C#N)O)C)C	OJCKRNPLOZHAOU-SLNPHPKOSA-N
DG61663	"Naphthalene,3-dimethoxy-6-(2-nitroethenyl)-"	5358372	"NSC245456; CHEMBL1989878; ZINC5369428; NSC-245456; Naphthalene,3-dimethoxy-6-(2-nitroethenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	245456	.	.	.	.	259.26	C14H13NO4	64.3	339	3.4	19	0	4	3	"InChI=1S/C14H13NO4/c1-18-13-8-11-4-3-10(5-6-15(16)17)7-12(11)9-14(13)19-2/h3-9H,1-2H3/b6-5-"	COC1=C(C=C2C=C(C=CC2=C1)/C=C\\[N+](=O)[O-])OC	YBDAKNRCMRSZFU-WAYWQWQTSA-N
DG61664	NSC246129	5358378	"2-[(14E)-9-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde; Antibiotic B 58941 B; Cirramycin A1; 2-[(14E)-9-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde; 25339-90-6; Cirramycin A(1); Antibiotic B 58941B; CHEMBL1976094; NSC246129; NSC-246129; 4, 9-[[3,6-dideoxy-3-(dimethylamino)-D-glucopyranosyl]oxy]-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	246129	.	.	.	.	597.7	C31H51NO10	155	973	1.4	42	3	11	6	"InChI=1S/C31H51NO10/c1-9-23-18(4)29-31(6,42-29)12-10-21(34)16(2)14-20(11-13-33)28(17(3)22(35)15-24(36)40-23)41-30-27(38)25(32(7)8)26(37)19(5)39-30/h10,12-13,16-20,22-23,25-30,35,37-38H,9,11,14-15H2,1-8H3/b12-10+"	CCC1C(C2C(O2)(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3C(C(C(C(O3)C)O)N(C)C)O)CC=O)C)C)C	PYLRKBRNWXMGSG-ZRDIBKRKSA-N
DG61665	"[(9E)-8-Acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] 2-methylprop-2-enoate"	5358418	"27542-23-0; [(9E)-8-Acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] 2-methylprop-2-enoate; CHEMBL1984751; NSC251667; NSC 251667; NSC-251667; 2-Propenoic acid, 2-methyl-, 3-(acetyloxy)-1a,2,3,5a,7,8,8a,9,10,10a-decahydro-4,10a-dimethyl-8-methylene-7-oxooxireno(5,6)cyclodeca(1,2-b)furan-9-yl ester, (1aR-(1aR*,3S*,4E,5aR*,8aR*,9R*,10aS*))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	251667	.	.	.	.	390.4	C21H26O7	91.4	780	2.2	28	0	7	5	"InChI=1S/C21H26O7/c1-10(2)19(23)27-16-9-21(6)17(28-21)8-14(25-13(5)22)11(3)7-15-18(16)12(4)20(24)26-15/h7,14-18H,1,4,8-9H2,2-3,5-6H3/b11-7+"	C/C/1=C\\C2C(C(CC3(C(O3)CC1OC(=O)C)C)OC(=O)C(=C)C)C(=C)C(=O)O2	RXIZKFBTUOTBOZ-YRNVUSSQSA-N
DG61666	Ovatifolin acetate	5358419	OVATIFOLIN ACETATE; 75521-68-5; NSC251668; DTXSID90418397; NSC-251668	.	.	Investigative Drug(s)	Investigative	Small molecular drug	251668	.	.	.	.	348.4	C19H24O6	78.9	642	1.8	25	0	6	5	"InChI=1S/C19H24O6/c1-11-6-5-7-15(10-23-13(3)20)9-17(24-14(4)21)18-12(2)19(22)25-16(18)8-11/h7-8,16-18H,2,5-6,9-10H2,1,3-4H3/b11-8+,15-7+/t16-,17-,18+/m1/s1"	C/C/1=C\\[C@@H]2[C@@H]([C@@H](C/C(=C\\CC1)/COC(=O)C)OC(=O)C)C(=C)C(=O)O2	XHXJJRRYKOSPKP-IFXYYXOISA-N
DG61667	17-Desmethylgeldanamycin	5358467	17-Desmethylgeldanamycin; NSC255104; 52762-28-4; Des-O-methylgeldanamycin; 17-Des-O-methylgeldanamycin; CHEMBL1991424; SCHEMBL13999847; DTXSID20418401; NSC-255104	.	.	Investigative Drug(s)	Investigative	Small molecular drug	255104	.	.	.	.	546.6	C28H38N2O9	175	1130	1	39	4	9	4	"InChI=1S/C28H38N2O9/c1-14-10-18-24(33)19(13-20(31)25(18)34)30-27(35)15(2)8-7-9-21(37-5)26(39-28(29)36)17(4)12-16(3)23(32)22(11-14)38-6/h7-9,12-14,16,21-23,26,32-33H,10-11H2,1-6H3,(H2,29,36)(H,30,35)/b9-7-,15-8+,17-12+"	CC1CC(C(C(/C=C(/C(C(/C=C\\C=C(\\C(=O)NC2=CC(=O)C(=O)C(=C2O)C1)/C)OC)OC(=O)N)\\C)C)O)OC	AFFSZNHAULCEKY-AFGHJBDBSA-N
DG61668	"Hydrogeldanamycin-18,21-diacetate"	5358471	"Hydrogeldanamycin 18,21-diacetate; Hydrogeldanamycin-18,21-diacetate; NSC255108; 30562-35-7; 2-Azabicyclo(16.3.1)docosa-1(22),4,6,10,18,20-hexaen-3-one, 20,22-bis(acetyloxy)-9-((aminocarbonyl)oxy)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-; 2-Azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-3-one, 20,22-bis(acetyloxy)-9-[(aminocarbonyl)oxy]-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-; NSC 255108; CHEMBL1983115; NSC-255108; [(4E,6Z,10E)-22-acetoxy-9-carbamoyloxy-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-20-yl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	255108	.	.	.	.	646.7	C33H46N2O11	182	1150	3	46	3	11	9	"InChI=1S/C33H46N2O11/c1-17-13-23-30(45-22(6)37)24(16-27(31(23)43-9)44-21(5)36)35-32(39)18(2)11-10-12-25(41-7)29(46-33(34)40)20(4)15-19(3)28(38)26(14-17)42-8/h10-12,15-17,19,25-26,28-29,38H,13-14H2,1-9H3,(H2,34,40)(H,35,39)/b12-10-,18-11+,20-15+"	CC1CC(C(C(/C=C(/C(C(/C=C\\C=C(\\C(=O)NC2=CC(=C(C(=C2OC(=O)C)C1)OC)OC(=O)C)/C)OC)OC(=O)N)\\C)C)O)OC	SMJLJYSWSZSYCN-QIDZHBFPSA-N
DG61669	Deoxyelaphantopin	5358527	"Deoxyelephantopin; NSC259726; [(3S,9E)-10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylprop-2-enoate; [(9E)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylprop-2-enoate; 29307-03-7; Deoxyelaphantopin; Elephantopus carolinianus compd. B; NSC-259726"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	259726	.	.	.	.	344.4	C19H20O6	78.9	741	2.4	25	0	6	3	"InChI=1S/C19H20O6/c1-9(2)17(20)24-15-8-12-7-13(23-19(12)22)5-10(3)6-14-16(15)11(4)18(21)25-14/h6-7,13-16H,1,4-5,8H2,2-3H3/b10-6+/t13 ,14 ,15-,16 /m0/s1"	C/C/1=C\\C2C([C@H](CC3=CC(C1)OC3=O)OC(=O)C(=C)C)C(=C)C(=O)O2	JMUOPRSXUVOHFE-OCWKYTTHSA-N
DG61670	"2-Propenamide,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-"	5358593	"NSC266763; CHEMBL112092; NSC-266763; 2-Propenamide,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-; 2-Propenamide,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, (E)- (+)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	266763	.	.	.	.	441.6	C21H35N3O5S	144	676	2	30	4	6	15	"InChI=1S/C21H35N3O5S/c1-3-4-5-6-7-8-9-10-13-30(29)15-17(14-25)23-19(26)12-11-18-16(2)22-21(28)24-20(18)27/h11-12,17,25H,3-10,13-15H2,1-2H3,(H,23,26)(H2,22,24,27,28)/b12-11+"	CCCCCCCCCCS(=O)CC(CO)NC(=O)/C=C/C1=C(NC(=O)NC1=O)C	WEIMMLJFQRUMOU-VAWYXSNFSA-N
DG61671	Baccharin	5358645	"Baccharin; NSC269757; Trichothecene deriv.; Verrucarin A,3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)-; 61251-97-6; NSC-269757; B800157K386"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269757	.	.	.	.	562.6	C29H38O11	149	1170	0.5	40	2	11	1	"InChI=1S/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5+,8-6-/t15-,16-,17+,18-,19-,21+,22-,23-,25 ,26-,27-,28 ,29+/m1/s1"	C[C@H]([C@H]1/C=C/C=C\\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2(C5(CCC6([C@H]([C@H]5O3)O6)C)COC(=O)[C@@H]7[C@](O7)([C@H](CO1)O)C)C)CO4)O	DGBITFNXKQHKLI-LCTKYAGXSA-N
DG61672	Isobaccharin	5358646	"Isobaccharin; NSC269760; MLS002702119; NSC-269760; B8; Verrucarin A,3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)-; 63814-58-4; ISOBACCHARIN (B800157K389); Verrucarin A,3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269760	.	.	.	.	562.6	C29H38O11	149	1170	0.5	40	2	11	1	"InChI=1S/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5+,8-6-/t15-,16+,17-,18+,19+,21-,22+,23+,25+,26+,27+,28 ,29-/m0/s1"	C[C@@H]([C@H]1/C=C/C=C\\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2(C5(CC[C@@]6([C@H]([C@H]5O3)O6)C)COC(=O)[C@@H]7[C@](O7)([C@H](CO1)O)C)C)CO4)O	DGBITFNXKQHKLI-CYLYTYKUSA-N
DG61673	"2-Butenoic acid,3-dihydroxy-2-naphthalenyl)thio]-, ethyl ester, (Z)-"	5358772	"MLS000756621; ZINC1563104; NSC278631; NSC-278631; 59483-95-3; 2-Butenoic acid,3-dihydroxy-2-naphthalenyl)thio]-, ethyl ester, (Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	278631	.	.	.	.	304.4	C16H16O4S	92.1	396	3.7	21	2	5	5	"InChI=1S/C16H16O4S/c1-3-20-15(18)8-10(2)21-14-9-13(17)11-6-4-5-7-12(11)16(14)19/h4-9,17,19H,3H2,1-2H3/b10-8-"	CCOC(=O)/C=C(/C)\\SC1=C(C2=CC=CC=C2C(=C1)O)O	ZWPCTBYNLWBREY-NTMALXAHSA-N
DG61674	"2-Butenoic acid, 3-[(1,3-dihydroxy-2-naphthalenyl)thio]-, ethyl ester, (Z)-"	5358773	"MLS000756621; SMR000528827; NSC278632; CHEMBL1964407; SCHEMBL14134579; 2-Butenoic acid, 3-[(1,3-dihydroxy-2-naphthalenyl)thio]-, ethyl ester, (Z)-; HMS2880N20; ZINC13143020; NSC-278632; 59483-97-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	278632	.	.	.	.	304.4	C16H16O4S	92.1	396	3.7	21	2	5	5	"InChI=1S/C16H16O4S/c1-3-20-15(18)8-10(2)21-14-9-13(17)11-6-4-5-7-12(11)16(14)19/h4-9,17,19H,3H2,1-2H3/b10-8+"	CCOC(=O)/C=C(\\C)/SC1=C(C2=CC=CC=C2C(=C1)O)O	ZWPCTBYNLWBREY-CSKARUKUSA-N
DG61675	Methiothepin maleate	5358812	"Methiothepin maleate; 19728-88-2; METITEPINE MALEATE; CHEBI:64202; NSC281816; 8-Methylthio-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate; Ro 8-6837; (Z)-but-2-enedioic acid;1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; 1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate; MLS000756636; Metitepin maleate; 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine (2Z)-but-2-enedioate; NSC-759875; SR-01000075560; VUFB 6276; Prestwick_739; SPECTRUM1503637; SCHEMBL2048660; CHEMBL1358918; DTXSID8042630; HMS502N15; AOB6250; HMS1569K11; HMS2096K11; HMS3411G14; HMS3675G14; HMS3713K11; Pharmakon1600-01503637; CCG-39505; NSC759875; AKOS024458571; NSC-281816; Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-methylthio-, hydrogen maleate; Dibenzo(b,f)thiepin, 10,11-dihydro-8-methylthio-10-(4-methylpiperazino)-, hydrogen maleate; NCGC00095921-01; AS-16941; SR-01000075560-7; SR-01000075560-8; Q27133119; 1-[10,11-Dihydro-8-(methylthio)dibenzo(Z)[b,f]thiepin-10-yl]-4-methylpiperazine maleate; 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine maleate; 1-methyl-4-[8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine maleate; (.+-.)-Metitepine maleate,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-methyl-, (.+-.)-, (Z)-2-butenedioate (1:1); 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazinediium (2Z)-but-2-enedioate; 1-methyl-4-[8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine (2Z)-but-2-enedioate; 1-methyl-4-[8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazinediium (2Z)-but-2-enedioate; Piperazine, 1-(10,11-dihydro-8-methylthiodibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate (1:1); Piperazine,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-methyl-, (+)-, (Z)-2-butenedioate (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281816	.	.	.	.	472.6	C24H28N2O4S2	132	529	.	32	2	8	4	"InChI=1S/C20H24N2S2.C4H4O4/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20;5-3(6)1-2-4(7)8/h3-8,14,18H,9-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-"	CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC.C(=C\\C(=O)O)\\C(=O)O	IWDBEHWZGDSFHR-BTJKTKAUSA-N
DG61676	Eunicin	5358827	"Eunicin; NSC282752; 55822-19-0; CUEUNICIN; (5Z)-2-hydroxy-2,6,10-trimethyl-15-methylidene-13,18-dioxatricyclo[9.6.1.012,16]octadec-5-en-14-one; CHEMBL1998511; DTXSID50418499; NSC310820; NSC-282752; NSC-310820"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	282752	.	.	.	.	334.4	C20H30O4	55.8	552	3.4	24	1	4	0	"InChI=1S/C20H30O4/c1-12-7-5-9-13(2)17-18-15(14(3)19(21)24-18)11-16(23-17)20(4,22)10-6-8-12/h8,13,15-18,22H,3,5-7,9-11H2,1-2,4H3/b12-8-"	CC1CCC/C(=C\\CCC(C2CC3C(C1O2)OC(=O)C3=C)(C)O)/C	RFCBIORAGZWLAM-WQLSENKSSA-N
DG61677	"Verrucarin A, 9,10-epoxide"	5358836	"NSC283445; Verrucarin A, 9,10-epoxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	283445	.	.	.	.	518.6	C27H34O10	133	1070	1.9	37	1	10	0	"InChI=1S/C27H34O10/c1-15-8-11-32-18(28)6-4-5-7-19(29)35-16-12-17-27(14-34-27)25(16,3)26(13-33-23(31)20(15)30)10-9-24(2)21(37-24)22(26)36-17/h4-7,15-17,20-22,30H,8-14H2,1-3H3/b6-4+,7-5-/t15-,16-,17-,20+,21+,22-,24 ,25-,26 ,27 /m1/s1"	C[C@@H]1CCOC(=O)/C=C/C=C\\C(=O)O[C@@H]2C[C@@H]3C4([C@]2(C5(CCC6([C@H]([C@H]5O3)O6)C)COC(=O)[C@H]1O)C)CO4	CLNDGDZYSDRNSO-LGQDHAIYSA-N
DG61678	Fcrc57-G	5358914	NSC289645; Griseorhodin G; Naphthoquinone B233712F026; FCRC57-G; FCRC-57-G; CHEMBL1965368; NSC-289645; NCI60_002376; NEW NAPHTHOQUINONE B233712F026	.	.	Investigative Drug(s)	Investigative	Small molecular drug	289645	.	.	.	.	510.4	C25H18O12	189	1100	2.5	37	5	12	1	"InChI=1S/C25H18O12/c1-7-3-8-4-9-5-12(27)25(36-21(9)19(30)13(8)24(33)35-7)23(32)16-18(29)14-10(26)6-11(34-2)17(28)15(14)20(31)22(16)37-25/h3-4,6,12,23,27,29-32H,5H2,1-2H3"	CC1=CC2=CC3=C(C(=C2C(=O)O1)O)OC4(C(C3)O)C(C5=C(C6=C(C(=C5O4)O)C(=O)C(=CC6=O)OC)O)O	NWVQGFXTZWXNGL-UHFFFAOYSA-N
DG61679	methyl 5-[(E)-2-(4-acetamidophenyl)sulfonyl-2-(5-nitrofuran-2-yl)ethenyl]furan-2-carboxylate	5358937	NSC291056; CHEMBL1989341; 53828-84-5; ZINC1565726; NSC-291056	.	.	Investigative Drug(s)	Investigative	Small molecular drug	291056	.	.	.	.	460.4	C20H16N2O9S	170	853	2.5	32	1	9	7	"InChI=1S/C20H16N2O9S/c1-12(23)21-13-3-6-15(7-4-13)32(27,28)18(16-9-10-19(31-16)22(25)26)11-14-5-8-17(30-14)20(24)29-2/h3-11H,1-2H3,(H,21,23)/b18-11+"	CC(=O)NC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(O2)C(=O)OC)/C3=CC=C(O3)[N+](=O)[O-]	JWZVKXBMKRDFNU-WOJGMQOQSA-N
DG61680	Pyrimidineacetaldehyde derivative	5358942	"86762-35-8; NSC291643; Pyrimidineacetaldehyde derivative; CHEMBL1966310; ZINC1565823; NSC-291643; NCI60_002398; 5-Pyrimidineacetaldehyde,2,3,4-tetrahydro-2,4-dioxo-; 2-(1-(2,4-Dihydroxy-5-pyrimidinyl)-2-oxoethoxy)-3-hydroxypropanal; 5-Pyrimidineacetaldehyde,2,3,4-tetrahydro-2,4-dioxo-, [S-(R*,S*)]-; (2R)-2-[(1S)-1-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxo-ethoxy]-3-hydroxy-propanal; (R)-2-((S)-1-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxoethoxy)-3-hydroxypropanal; 5-Pyrimidineacetaldehyde, .alpha.-(1-formyl-2-hydroxyethoxy)-1,2, 3,4-tetrahydro-2,4-dioxo-, {[S-(R*,S*)]-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	291643	.	.	.	.	242.19	C9H10N2O6	122	378	-2.7	17	3	6	6	"InChI=1S/C9H10N2O6/c12-2-5(3-13)17-7(4-14)6-1-10-9(16)11-8(6)15/h1-2,4-5,7,13H,3H2,(H2,10,11,15,16)/t5-,7+/m0/s1"	C1=C(C(=O)NC(=O)N1)[C@@H](C=O)O[C@H](CO)C=O	PWWIIFIZPARHSJ-CAHLUQPWSA-N
DG61681	Costatone	5359027	"COSTATONE; 63023-59-6; CHEBI:80930; NSC294580; (2S,6R)-4-chloro-2-[(Z)-1-chloroprop-1-en-2-yl]-6-(dibromomethyl)-5-methyl-2,3-dihydropyran-6-ol; CHEMBL1990910; DTXSID80418548; 2H-Pyran-2-ol,6-dihydro-3-methyl-; NSC-294580; C17104; Q27151430; 2H-Pyran-2-ol,6-dihydro-3-methyl-, [2R-[2.alpha.,6.beta.(Z)]]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294580	.	.	.	.	394.91	C10H12Br2Cl2O2	29.5	342	3.6	16	1	2	2	"InChI=1S/C10H12Br2Cl2O2/c1-5(4-13)8-3-7(14)6(2)10(15,16-8)9(11)12/h4,8-9,15H,3H2,1-2H3/b5-4-/t8-,10+/m0/s1"	CC1=C(C[C@H](O[C@]1(C(Br)Br)O)/C(=C\\Cl)/C)Cl	CVIPXLIMSIYMFK-BJLGHUSZSA-N
DG61682	NSC294600	5359028	"methyl (2E,7E)-9-acetyloxy-10-(3-acetyloxy-2-hydroxy-2-methylbutanoyl)oxy-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.04,6]tetradeca-2,7-diene-8-carboxylate; MELAMPODININ; 60295-53-6; NSC 294600; NSC294600; CHEMBL1965129; NSC-294600; Oxireno[7,2-b]furan-3-carboxylic acid, 4-(acetyloxy)-5-[3-(acetyloxy)-2-hydroxy-2-methyl-1-oxobutoxy]-1a,4,5,5a,6,7,8a,10a-octahydro-10-methyl-6-methylene-7-oxo-, methyl ester, [1aR-[1aR*,2E,4S*,5S*(2R*,3S*),5aS*,8aR*,9E,10aS*]]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294600	.	.	.	.	522.5	C25H30O12	164	1090	0.2	37	1	12	10	"InChI=1S/C25H30O12/c1-10-8-16-18(11(2)22(28)36-16)21(37-24(30)25(6,31)12(3)33-13(4)26)20(34-14(5)27)15(23(29)32-7)9-17-19(10)35-17/h8-9,12,16-21,31H,2H2,1,3-7H3/b10-8+,15-9+"	C/C/1=C\\C2C(C(C(/C(=C\\C3C1O3)/C(=O)OC)OC(=O)C)OC(=O)C(C)(C(C)OC(=O)C)O)C(=C)C(=O)O2	MMVDOOAKJHDAMB-BPNXTJCCSA-N
DG61683	NSC294601	5359029	"methyl (4R,7E,10R)-9-acetyloxy-10-(2,3-dimethyloxirane-2-carbonyl)oxy-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-8-carboxylate; ENHYDRIN A; NSC294601; NSC-294601"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294601	.	.	.	.	464.5	C23H28O10	130	953	1.4	33	0	10	7	"InChI=1S/C23H28O10/c1-10-14-16(31-21(27)23(5)11(2)32-23)15(29-12(3)24)13(20(26)28-6)8-7-9-22(4)18(33-22)17(14)30-19(10)25/h8,11,14-18H,1,7,9H2,2-6H3/b13-8+/t11 ,14 ,15 ,16-,17 ,18 ,22-,23 /m1/s1"	CC1C(O1)(C)C(=O)O[C@@H]2C3C(C4[C@](O4)(CC/C=C(\\C2OC(=O)C)/C(=O)OC)C)OC(=O)C3=C	VCBNPTWPJQLHQN-FNNTXMBASA-N
DG61684	Lobolide	5359032	"LOBOLIDE; NSC294712; 64180-71-8; [(8E,12E)-9,13-dimethyl-18-methylidene-17-oxo-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-5-yl]methyl acetate; CHEMBL1965392; DTXSID10418551; NSC-294712"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294712	.	.	.	.	374.5	C22H30O5	65.099	689	3.2	27	0	5	3	"InChI=1S/C22H30O5/c1-14-7-5-8-15(2)11-19-18(16(3)21(24)26-19)12-20-22(27-20,10-6-9-14)13-25-17(4)23/h8-9,18-20H,3,5-7,10-13H2,1-2,4H3/b14-9+,15-8+"	C/C/1=C\\CCC2(C(O2)CC3C(C/C(=C/CC1)/C)OC(=O)C3=C)COC(=O)C	FZPXORVKUGLVCP-LPSKSUNQSA-N
DG61685	Alatolid	5359051	"Alatolid; MLS002701792; NSC295426; CHEMBL1993440; NSC-295426; Propanoic acid, 2,3,3a,4,5,8,9,11a-octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, [3aR-(3aR*,4S*,6Z,10Z,11aR*)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295426	.	.	.	.	350.4	C19H26O6	93.1	601	1	25	2	6	5	"InChI=1S/C19H26O6/c1-11(2)18(22)24-15-7-13(9-20)5-4-6-14(10-21)8-16-17(15)12(3)19(23)25-16/h5,8,11,15-17,20-21H,3-4,6-7,9-10H2,1-2H3/b13-5-,14-8-"	CC(C)C(=O)OC1C/C(=C/CC/C(=C/C2C1C(=C)C(=O)O2)/CO)/CO	IAKJNLGPQQXWAV-XUHALDTPSA-N
DG61686	Kidamycin	5359060	"Kidamycin; Rubiflavin B; NSC295565; 2-[(E)-but-2-en-2-yl]-10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methylnaphtho[2,3-h]chromene-4,7,12-trione; 11072-82-5; 4H-Anthra[1,7,12-trione, 11-hydroxy-5-methyl-2-[(1E)-1-methyl-1-propenyl]- 8-[2,3,6-trideoxy-3-(dimethylamino)-.beta.-D-arabino- hexopyranosyl]-10-[2,3,6-trideoxy-3-(dimethylamino)- 3-C-methyl-.alpha.-L-lyxo-hexopyranosyl]-; CHEMBL1988097; NSC143094; NSC-143094; NSC-295565; Q15426247"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295565	.	.	.	.	688.8	C39H48N2O9	146	1410	4.3	50	3	11	5	"InChI=1S/C39H48N2O9/c1-11-17(2)26-15-25(42)29-18(3)12-23-31(37(29)50-26)36(46)32-30(35(23)45)21(27-14-24(40(7)8)33(43)19(4)48-27)13-22(34(32)44)28-16-39(6,41(9)10)38(47)20(5)49-28/h11-13,15,19-20,24,27-28,33,38,43-44,47H,14,16H2,1-10H3/b17-11+"	C/C=C(\\C)/C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=O)C4=C(C3=O)C(=C(C=C4C5CC(C(C(O5)C)O)N(C)C)C6CC(C(C(O6)C)O)(C)N(C)C)O	MFTJRTUKCOVIMD-GZTJUZNOSA-N
DG61687	Neopluramycin	5359061	Neopluramycin; NSC295566; CHEMBL1967599; NSC-295566; Member of the iyomycin B-like family of antibiotics. Complete structure unknown.; Member of the Iyomycin B-like family of antibiotics (complete structure unknown)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295566	.	.	.	.	730.8	C41H50N2O10	152	1530	4.9	53	2	12	7	"InChI=1S/C41H50N2O10/c1-12-18(2)28-16-27(45)31-19(3)13-25-33(39(31)53-28)38(49)34-32(37(25)48)23(29-15-26(42(8)9)35(46)20(4)50-29)14-24(36(34)47)30-17-41(7,43(10)11)40(21(5)51-30)52-22(6)44/h12-14,16,20-21,26,29-30,35,40,46-47H,15,17H2,1-11H3/b18-12+"	C/C=C(\\C)/C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=O)C4=C(C3=O)C(=C(C=C4C5CC(C(C(O5)C)O)N(C)C)C6CC(C(C(O6)C)OC(=O)C)(C)N(C)C)O	FGTVZROOHPSJNZ-LDADJPATSA-N
DG61688	Melampodin B acetate	5359212	"MELAMPODIN B ACETATE; NSC302035; 51212-98-7; 6H-4,7-Methenofuro(3,2-c)oxacycloundecin-2,6(3H)-dione, 8-(acetyloxy)-11-((acetyloxy)methyl)-3a,4,8,9,10,12a-hexahydro-3-methylene-; 6H-4,7-Methenofuro[3,2-c]oxacycloundecin-2,6(3H)-dione, 8-(acetyloxy)-11-[(acetyloxy)methyl]-3a,4,8,9,10,12a-hexahydro-3-methylene-; NSC 302035; CHEMBL1965706; NSC-302035; (acetoxy-methylene-dioxo-[ ]yl)methyl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302035	.	.	.	.	376.4	C19H20O8	105	775	0.6	27	0	8	5	"InChI=1S/C19H20O8/c1-9-17-15(26-18(9)22)6-12(8-24-10(2)20)4-5-14(25-11(3)21)13-7-16(17)27-19(13)23/h6-7,14-17H,1,4-5,8H2,2-3H3/b12-6-"	CC(=O)OC/C/1=C\\C2C(C3C=C(C(CC1)OC(=O)C)C(=O)O3)C(=C)C(=O)O2	OGRMZEFFIFTCNB-SDQBBNPISA-N
DG61689	Alternariol	5359485	"Alternariol; 641-38-3; 3,7,9-Trihydroxy-1-methyl-6H-benzo[c]chromen-6-one; UNII-KN9L4260JW; 3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one; CHEBI:64983; 3,7,9-Trihydroxy-1-methyl-6H-dibenzo[b,d]pyran-6-one; AOH; KN9L4260JW; NSC638263; 6H-DIBENZO(b,d)PYRAN-6-ONE, 1-METHYL-3,7,9-TRIHYDROXY-; CCRIS 6734; 3,7,9-Trihydroxy-1-methyl-6H-dibenzo(b,d)pyran-6-one; BRN 0244839; Alternariol from Alternaria sp.; 3,4,4'-Trihydroxy-6'-methyl-2-biphenylcarboxylic acid, gamma lactone; 5-18-04-00516 (Beilstein Handbook Reference); CHEMBL519982; MEGxm0_000137; SCHEMBL1096830; Alternariol, analytical standard; ACon0_000598; ACon1_001301; 6H-Dibenzo[b,d]pyran-6-one, 3,7,9-trihydroxy-1-methyl-; DTXSID80214305; ZINC402623; HY-N6714; BDBM50479267; MFCD00133068; AKOS015916292; CS-W020863; MCULE-2577421243; NSC-638263; Alternariol from Alternaria sp., ~96%; NCGC00180653-01; LS-14270; NCI60_012751; FT-0661536; 3,4',5-Trihydroxy-6'-methyldibenzo-a-pyrone; 3,4',5-trihydroxy-6'-methyldibenzo-alpha-pyrone; 3,7,9-trihydroxy-1-methyl-benzo[c]chromen-6-one; A867945; Q410677; BRD-K62196712-001-01-3; 1-Methyl-3,7,9-trihydroxy-6H-Dibenzo(b,D)pyran-6-one; 3,7,9-Trihydroxy-1-methyl-6H-benzo[c]chromen-6-one #; Alternariol 3,4',5-Trihydroxy-6'-methyl-dibenzo[a]pyrone; 3,7,9-Trihydroxy-1-methyl-6H-dibenzo[b,D]pyran-6-one, 9CI; BrOP  Bromotris(dimethylamino)phosphonium Hexafluorophosphate; 3,4,4'-trihydroxy-6'-methyl-2-biphenylcarboxylic acid gamma-lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638263	.	.	.	.	258.23	C14H10O5	87	371	2.9	19	3	5	0	"InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3"	CC1=CC(=CC2=C1C3=C(C(=CC(=C3)O)O)C(=O)O2)O	CEBXXEKPIIDJHL-UHFFFAOYSA-N
DG61690	Lasalocid	5360807	"lasalocid; Lasalocid A; 25999-31-9; Lasalocide; Lasalocidum; Lasalocido; Ionophore X 537A; Antibiotic X 537A; Ro 2-2985; UNII-W7V2ZZ2FWB; X 537A; X-537A; W7V2ZZ2FWB; Lasalocide A; Lasalocide [INN-French]; Lasalocidum [INN-Latin]; Lasalocido [INN-Spanish]; 6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]tetrahydro-3-methyl-2-furanyl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methyl-benzoic acid; 6-[(3R,4S,5S,7R)-7-{(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methyltetrahydrofuran-2-yl}-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid; 6-{7-[(5S)-5-((6S,5R)-5-Ethyl-5-hydroxy-6-methylperhydro-2H-pyran-2-yl)-5-ethyl-3-methyloxolan-2-yl](4S,5S,3R,7R)-4-hydroxy-3,5-dimethyl-6-oxononyl}-2-hydroxy-3-methylbenzoic acid; NSC243046; 25999-20-6; EINECS 247-401-9; NSC 243048; Lasalocid [USAN:INN:BAN]; Lasalocid-A; Ionophore X-537A; Antibiotic X-537A; Lasalocid (USAN/INN); Prestwick0_000828; Prestwick1_000828; Prestwick2_000828; Prestwick3_000828; Lasalocid (X 537 A); BSPBio_000755; 6-(7(R)-(5(S)-Ethyl-5-(5(R)-ethyltetrahydro-5-hydroxy-6(S)-methyl-2H-pyran-2(R)-yl)tetrahydro-3(S)-methyl-2(S)-furyl)-4(S)-hydroxy-3(R),5(S)-dimethyl-6-oxononyl)-2,3-cresotic acid; 6-(7-(5-Ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)tetrahydro-3-methyl-2-furanyl)-4-hydroxy-3,5-dimethyl-6-oxononyl)-2-hydroxy-3-methylbenzoic acid (2R-(2alpha(2S*(3R*,4S*,5S*,7R*),3S*,5S*),5alpha,6beta))-; Benzoic acid, 6-(7-(5-ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)tetrahydro-3-methyl-2-furanyl)-4-hydroxy-3,5-dimethyl-6-oxononyl)-2-hydroxy-3-methyl-, (2R-(2alpha(2S*(3R*,4S*,5S*,7R*),3S*,5S*),5alpha,6beta))-; SCHEMBL259623; SPBio_002676; BPBio1_000831; CHEMBL145347; MEGxm0_000441; DTXSID9048485; ACon0_000529; ACon1_002071; CHEBI:92181; HY-B1071; ZINC4216707; LMPK09000002; Ro-22985; CS-4627; DB11423; MCULE-5612044177; NCGC00179860-02; (1S,9S)-1,5:6,9-Dianhydro-9-[(3R,5S,6S,7R)-9-(2-carboxy-3-hydroxy-4-methylphenyl)-6-hydroxy-5,7-dimethyl-4-oxononan-3-yl]-3,4,7,8-tetradeoxy-6-ethyl-2-C-ethyl-1,8-dimethyl-D-galacto-nonitol; (2R-(2alpha(2S*(3R*,4S*,5S*,7R*)3S*,5S*),5alpha,6beta))-6-(7-(5-Ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)tetrahydro-3-methyl-2-furyl)-4-hydroxy-3,5-dimethyl-6-oxononyl)-3-methylsalicylic acid; 2,3-Cresotic acid, 6-(7-(5-ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)tetrahydro-3-methyl-2-furyl)-4-hydroxy-3,5-dimethyl-6-oxononyl)-, (-)-; 6-(7(R)-(5(S)-Ethyl-5-(R)-ethyltetrahydro-5-hydroxy-6(S)-methyl-2H-pyran-2(R)-yl)tetrahydro-3(S)-methyl-2(S)-furyl)-4(S)-hydroxy-3(R),5(S)-dimethyl-6-oxononyl)-2,3-cresotic acid; Benzoic acid, 6-((3R,4S,5S,7R)-7-((2S,3S,5S)-5-ethyl-5-((2R,5R,6S)-5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)tetrahydro-3-methyl-2-furanyl)-4-hydroxy-3,5-dimethyl-6-oxononyl)-2-hydroxy-3-methyl-; Benzoic acid, 6-(7(R)-(5(S)-Ethyl-5-(5(R)-ethyltetrahydro-5-hydroxy-6(S)-methyl-2H-pyran-2(R)-yl)tetrahydro-3(S)-methyl-2(S)-furanyl)-4(S)-hydroxy-3(R),5(S)-dimethyl-6-oxononyl)-2-hydroxy-3-methyl-; Benzoic acid,6-[7-[5-ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)tetrahydro-3-methyl-2-furanyl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methyl-, [2R-[2a[2S*(3R*,4S*,5S*,7R*),3S*,5S*],5a,6b]]-; RO-2-2985; D04671; A919355; J-016218; Q3827314; Antibiotic X-537A;Lasalocid-A;X-537A;Ionophore X-537A; 6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]-4-hydroxy-3,5-dimethyl-6-oxo-nonyl]-2-hydroxy-3-methyl-benzoic acid; 6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid; NCGC00179860-02!6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	243046	.	.	.	.	590.8	C34H54O8	134	910	6.4	42	4	8	13	"InChI=1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+/m1/s1"	CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@@]([C@@H](O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C)CCC3=C(C(=C(C=C3)C)O)C(=O)O)O	BBMULGJBVDDDNI-OWKLGTHSSA-N
DG61691	N-[(E)-1-(2-pyridyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide	5361900	"MLS003115680; 71555-47-0; NSC294814; CHEMBL127470; 3-Azabicyclo[3.2.2]nonane-3-carbothioic acid, [1-(2-pyridinyl)ethylidene]hydrazide; ZINC5493096; NSC-294814; BRD-K95158609-001-01-0; N'-[(1E)-1-(2-Pyridinyl)ethylidene]-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide; N-[(E)-1-(2-pyridyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294814	.	.	.	.	302.4	C16H22N4S	72.6	387	2.8	21	1	3	2	"InChI=1S/C16H22N4S/c1-12(15-4-2-3-9-17-15)18-19-16(21)20-10-13-5-6-14(11-20)8-7-13/h2-4,9,13-14H,5-8,10-11H2,1H3,(H,19,21)/b18-12+"	C/C(=N\\NC(=S)N1CC2CCC(C1)CC2)/C3=CC=CC=N3	MMEBJLATRATDOX-LDADJPATSA-N
DG61692	Phyllanthoside	5363794	"Phyllanthoside; Phylanthoside; MLS002703057; NSC328426; Phyllanthoside - Phyllanthus acuminatus; SMR001566863; NSC 328426; NSC-328426; 63166-73-4; CHEMBL1722641; BDBM93503; cid_5363794; .beta.-D-Glucopyranose, 2-O-(3-O-acetyl-6-deoxy-.beta.-D-glucopyranosyl)-6-deoxy-, 3-acetate 1-(decahydro-5''-methyl-4''-((1-oxo-3-phenyl-2- propenyl)oxy)dispiro(oxirane-2,3'(2'H)-benzofuran-2',2''- (2H)pyran)-6'-carboxylate) (2'S-(2'.alpha.(4''R*(E),5''S*) 3'.beta.,3'a.alpha.,6'.alpha.,7'a.alpha.))-; .beta.-D-Glucopyranose, 3-acetate 1-[decahydro-5''-methyl-4''-[(1-oxo-3-phenyl-2- propenyl)oxy]dispiro[oxirane-2,3'(2'H)-benzofuran-2',2''- [2H]pyran]-6'-carboxylate] [2'S-[2'.alpha.[4''R*(E),5''S*] 3'.beta.,3'a.alpha.,6'.alpha.,7'a.alpha.]]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328426	.	.	.	.	804.8	C40H52O17	225	1520	1.6	57	3	17	13	"InChI=1S/C40H52O17/c1-19-17-48-40(16-28(19)54-29(43)14-11-24-9-7-6-8-10-24)39(18-49-39)26-13-12-25(15-27(26)57-40)36(47)56-38-35(34(53-23(5)42)31(45)21(3)51-38)55-37-32(46)33(52-22(4)41)30(44)20(2)50-37/h6-11,14,19-21,25-28,30-35,37-38,44-46H,12-13,15-18H2,1-5H3/b14-11+"	CC1COC2(CC1OC(=O)/C=C/C3=CC=CC=C3)C4(CO4)C5CCC(CC5O2)C(=O)OC6C(C(C(C(O6)C)O)OC(=O)C)OC7C(C(C(C(O7)C)O)OC(=O)C)O	VOTNXJVGRXZYOA-SDNWHVSQSA-N
DG61693	2-Hydroxychalcone	5367146	"2-Hydroxychalcone; 644-78-0; 3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one; (E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one; 42224-53-3; 2-(2-Hydroxybenzal)acetophenone; (2E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one; 2-Hydroxybenzylidene acetophenone; (E)-2-Hydroxychalcone; 2-Propen-1-one, 3-(2-hydroxyphenyl)-1-phenyl-; MLS002608038; NSC640539; 3-(2-hydroxyphenyl)-1-phenyl-2-propen-1-one; (E)-3-(2-hydroxyphenyl)-1-phenyl-prop-2-en-1-one; Chalcone, 1; Salicylalacetophenone; EINECS 211-422-1; hydroxychalcone, 2-; NSC 640539; trans-2-hydroxychalcone; AI3-00855; 2-Hydroxychalcone, 95%; SCHEMBL626785; SCHEMBL626787; CHEMBL147067; BDBM86002; 6-[(1Z,2Z)-3-Hydroxy-3-phenyl-2-propene-1-ylidene]-2,4-cyclohexadiene-1-one; HMS3078L22; 2-hydroxychalcone 42224-53-3; NSC37432; ZINC3894725; 2-(2-Hydroxybenzylidene)acetophenone; MFCD00016449; NSC-37432; NSC170281; STK093271; AKOS000486194; AKOS025309995; NSC-170281; NSC-640539; MS-10592; SMR001526790; HY-119931; CS-0078796; H0234; X6961; A834764; AB-016/30005051; SR-01000078236; SR-01000078236-1; trans-3-(O-Hydroxyphenyl)-1-phenyl-2-propen-1-one; W-104837; (2E)-3-(2-Hydroxyphenyl)-1-phenyl-2-propen-1-one #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37432	.	.	.	.	224.25	C15H12O2	37.3	277	3.3	17	1	2	3	"InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-11,16H/b11-10+"	C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2O	UDOOPSJCRMKSGL-ZHACJKMWSA-N
DG61694	"Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-"	5367161	"p-cyanochalcone; Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-; MLS000756780; 4-[(E)-3-oxo-3-phenylprop-1-enyl]benzonitrile; NSC636934; 5724-55-0; 4-(3-Oxo-3-phenyl-1-propenyl)benzonitrile; 4-(3-Oxo-3-phenyl-propenyl)-benzonitrile; 4-((e)-3-oxo-3-phenylprop-1-enyl)benzonitrile; 4-Cyanochalcone; NSC179365; (E)-4-Cyanochalcone; CHEMBL445153; SCHEMBL8987364; HMS2884B05; MFCD00557015; STL196406; ZINC13144621; AKOS015959654; NSC-179365; NSC-636934; SMR000529062; 4-(-3-Oxo-3-phenyl-1-propenyl)benzonitrile; 4-[(E)-3-oxo-3-phenyl-prop-1-enyl]benzonitrile; AA-504/07476036; 4-[(1E)-3-OXO-3-PHENYLPROP-1-EN-1-YL]BENZONITRILE; 22966-17-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	179365	.	.	.	.	233.26	C16H11NO	40.9	349	2.8	18	0	2	3	InChI=1S/C16H11NO/c17-12-14-8-6-13(7-9-14)10-11-16(18)15-4-2-1-3-5-15/h1-11H/b11-10+	C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C#N	CAHMJFODGBXCBM-ZHACJKMWSA-N
DG61695	1-(2-methoxyphenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea	5367237	NSC668297; MLS002702196; CHEMBL1971511; ZINC7013958; NSC-668297; 1-(2-Pyridinyl)ethanone N-(2-methoxyphenyl)thiosemicarbazone; 1-(2-methoxyphenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668297	.	.	.	.	300.4	C15H16N4OS	90.6	375	2.6	21	2	4	4	"InChI=1S/C15H16N4OS/c1-11(12-7-5-6-10-16-12)18-19-15(21)17-13-8-3-4-9-14(13)20-2/h3-10H,1-2H3,(H2,17,19,21)/b18-11-"	C/C(=N/NC(=S)NC1=CC=CC=C1OC)/C2=CC=CC=N2	PHYCOZLZEUMCBU-WQRHYEAKSA-N
DG61696	1-(m-tolyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea	5367272	NSC668336; MLS002702209; CHEMBL1976920; ZINC16958642; NSC-668336; 1-(2-Pyridinyl)ethanone N-(3-methylphenyl)thiosemicarbazone; 1-(m-tolyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea; 4-(3-Methylphenyl)-1-[1-(2-pyridinyl)ethylidene]thiosemicarbazide; 1-[(E)-1-(2-Pyridinyl)ethylidene]-4-(3-methylphenyl)thiosemicarbazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668336	.	.	.	.	284.4	C15H16N4S	81.4	356	3	20	2	3	3	"InChI=1S/C15H16N4S/c1-11-6-5-7-13(10-11)17-15(20)19-18-12(2)14-8-3-4-9-16-14/h3-10H,1-2H3,(H2,17,19,20)/b18-12-"	CC1=CC(=CC=C1)NC(=S)N/N=C(/C)\\C2=CC=CC=N2	ANJKHGQGRYJRCY-PDGQHHTCSA-N
DG61697	Juvenate	5367549	"Juvenate; juvenile hormone III; 24198-95-6; 5255-04-9; methyl (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienoate; trans-trans-10,11-Epoxy Farnesenic Acid Methyl Ester; NSC-688246; Racemic juvenile hormone III; EINECS 246-072-9; Juvenile hormone C16; 10,11-Epoxyfarnesenic acid methyl ester; SJH I; (+/-)-Juvenile hormone II; MEGxp0_001814; CHEMBL1967398; Juvenile hormone III, >=65%; Methyl farnesoate 10,11-epoxide; ZAA75582; NSC688246; Methyl (2E,6E)-(1)-9-(3,3-dimethyloxiranyl)-3,7-dimethylnona-2,6-dienoate; Methyl trans,trans-10,11-epoxyfarnesoate; J-015392; trans-trans-10,11-Epoxyfarnesenic acid methyl ester; Methyl 10,11-epoxy-3,7,11-trimethyl-2,6-dodecadienoate; Methyl 9-(3,3-dimethyloxiranyl)-3,7-dimethyl-2,6-nonadienoate; methyl-(2e,6e)-10,11-epoxy-3,7,11-trimethyl-2,6-dodecadienoate; 2,6-Dodecadienoic acid, 10,11-epoxy-3,7,11-trimethyl-, methyl ester; 2,6-Dodecadienoic acid, 10,11-epoxy-3,7,11-trimethyl-, methyl ester, (E,E)-; 2,6-Nonadienoic acid, 9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethyl-, methyl ester, (2E,6E)-; 2,6-Nonadienoic acid, 9-(3,3-dimethyloxiranyl)-3,7-dimethyl-, methyl ester; 2,6-Nonadienoic acid, 9-(3,3-dimethyloxiranyl)-3,7-dimethyl-, methyl ester, (E,E)-; 2,6-Nonadienoic acid, 9-(3,3-dimethyloxiranyl)-3,7-dimethyl-, methyl ester, (E,E)-(+-)-; Methyl (2E,6E)-9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethyl-2,6-nonadienoate #; 5299-11-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688246	.	.	.	.	266.38	C16H26O3	38.8	378	4	19	0	3	8	"InChI=1S/C16H26O3/c1-12(9-10-14-16(3,4)19-14)7-6-8-13(2)11-15(17)18-5/h7,11,14H,6,8-10H2,1-5H3/b12-7+,13-11+"	C/C(=C\\CC/C(=C/C(=O)OC)/C)/CCC1C(O1)(C)C	QVJMXSGZTCGLHZ-ZPLWXOMKSA-N
DG61698	1-(4-Iodophenyl)-5-(2-dimethylaminoethenyl)-1H-tetrazole	5367729	"NSC673516; CHEMBL1998424; ZINC55120931; AKOS024362962; NSC-673516; 1-(4-Iodophenyl)-5-(2-dimethylaminoethenyl)-1H-tetrazole; (E)-2-[1-(4-iodophenyl)tetrazol-5-yl]-N,N-dimethyl-ethenamine; 2-(1-(4-Iodophenyl)-1H-tetraazol-5-yl)-N,N-dimethylethylenamine; N-(2-(1-(4-Iodophenyl)-1H-tetraazol-5-yl)vinyl)-N,N-dimethylamine; N-((E)-2-[1-(4-Iodophenyl)-1H-tetraazol-5-yl]ethenyl)-N,N-dimethylamine #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673516	.	.	.	.	341.15	C11H12IN5	46.8	263	2.5	17	0	4	3	"InChI=1S/C11H12IN5/c1-16(2)8-7-11-13-14-15-17(11)10-5-3-9(12)4-6-10/h3-8H,1-2H3/b8-7+"	CN(C)/C=C/C1=NN=NN1C2=CC=C(C=C2)I	SGZNOQTWBIMLDO-BQYQJAHWSA-N
DG61699	N'-(1-(1-Hydroxy-1lambda(5)-pyridin-2-yl)ethylidene)-1-azepanecarbothiohydrazide	5369124	"87587-04-0; NSC351075; NSC 351075; N'-(1-(1-Hydroxy-1lambda(5)-pyridin-2-yl)ethylidene)-1-azepanecarbothiohydrazide; NCI60_003130; 1H-Azepine-1-carbothioic acid, hexahydro-, [1-(2-pyridinyl)ethylidene]hydrazide, N-oxide; N-[(E)-1-(1-oxidopyridin-1-ium-2-yl)ethylideneamino]azepane-1-carbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	351075	.	.	.	.	292.4	C14H20N4OS	83.5	474	3.3	20	1	4	1	"InChI=1S/C14H20N4OS/c1-12(13-8-4-7-11-18(13)19)15-16-14(20)17-9-5-2-3-6-10-17/h4,7-8,11,19H,2-3,5-6,9-10H2,1H3/b13-12+,16-15 "	C/C(=C\\1/C=CC=CN1O)/N=NC(=S)N2CCCCCC2	GFJNMNNUJLCZEE-JQQLJDQISA-N
DG61700	"7H-Pyrrolo[2, 4-amino-N-hydroxy-7-beta-D-ribofuranosyl-"	5369182	"22242-89-3; DTXSID30944887; NSC107512; NSC-107512; 7H-Pyrrolo[2, 4-amino-N-hydroxy-7-.beta.-D-ribofuranosyl-; 4-Amino-N-hydroxy-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboximidamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	107512	.	.	.	.	324.29	C12H16N6O5	185	467	-2.2	23	6	9	3	"InChI=1S/C12H16N6O5/c13-9(17-22)4-1-18(11-6(4)10(14)15-3-16-11)12-8(21)7(20)5(2-19)23-12/h1,3,5,7-8,12,19-22H,2H2,(H2,13,17)(H2,14,15,16)"	C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)/C(=N/O)/N	UJSNJRHHJZOXPZ-UHFFFAOYSA-N
DG61701	"1,3-Dichloro-2-[(E)-2-nitroethenyl]benzene"	5369223	"22482-43-5; 1-(2,6-Dichlorophenyl)-2-nitroethylene; 1,3-dichloro-2-(2-nitrovinyl)benzene; 1,3-Dichloro-2-[(E)-2-nitroethenyl]benzene; 2,6-Dichloro-beta-nitrostyrene; 2,6-Dichloro-omega-nitrostyrene; NSC122864; MLS002701978; 120355-50-2; 1,3-Dichloro-2-(2-nitroethenyl)benzene; Styrene, 2,6-dichloro-beta-nitro-; NSC 122864; 1-(3,4-Methylenedioxy)phenyl-2-nitroethene; Benzene, 1,3-dichloro-2-(2-nitroethenyl)-; Benzene,1,3-dichloro-2-(2-nitroethenyl)-; (E)-1,3-dichloro-2-(2-nitrovinyl)benzene; SCHEMBL7414256; beta-Nitro-2,6-dichlorostyrene; CHEMBL1703209; HMS561L15; ZINC96681; Styrene,6-dichloro-.beta.-nitro-; 2,6-Dichloro-.omega.-nitrostyrene; XAA48243; (E)-beta-Nitro-2,6-dichlorostyrene; ANM102864; MFCD00024821; AKOS009156540; CCG-237068; NSC-122864; Styrene, 2,6-dichloro-.beta.-nitro-; 52287-52-2; PS-11464; SMR001565555; 1,3-dichloro-2-[(E)-2-nitrovinyl]benzene; CS-0323956; trans-2,6-Dichloro-beta-nitrostyrene, 97%; 1,3-Dichloro-2-[(E)-2-nitroethenyl]benzene #; A816227; (2-(2,6-Dichlorophenyl)vinyl)(hydroxy)azane oxide; 1,3-bis(chloranyl)-2-[(E)-2-nitroethenyl]benzene; J-014738"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	122864	.	.	.	.	218.03	C8H5Cl2NO2	45.8	205	3.4	13	0	2	1	InChI=1S/C8H5Cl2NO2/c9-7-2-1-3-8(10)6(7)4-5-11(12)13/h1-5H/b5-4+	C1=CC(=C(C(=C1)Cl)/C=C/[N+](=O)[O-])Cl	VXNHQIKJDIOBEC-SNAWJCMRSA-N
DG61702	2-Acetylpyridine-(4-phenylthiosemicarbazone)	5369910	Happtsc; 2-Acetylpyridine-(4-phenylthiosemicarbazone); 63698-06-6; MLS003115635; 1-phenyl-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea; CHEMBL282346; SCHEMBL22056641; NSC291330; ZINC17106504; NSC-291330; 2-Acetylpyridine N(4)-Phenyl Thiosemicarbazone; 2-acetylpyridine-N(4)-phenyl-thiosemicarbazone; BRD-K05957715-001-01-5	.	.	Investigative Drug(s)	Investigative	Small molecular drug	291330	.	.	.	.	270.35	C14H14N4S	81.4	323	2.7	19	2	3	3	"InChI=1S/C14H14N4S/c1-11(13-9-5-6-10-15-13)17-18-14(19)16-12-7-3-2-4-8-12/h2-10H,1H3,(H2,16,18,19)/b17-11+"	C/C(=N\\NC(=S)NC1=CC=CC=C1)/C2=CC=CC=N2	VHVSCHSQNUUXNS-GZTJUZNOSA-N
DG61703	"1-(5-Hydroxy-1,5-dimethyl-3-hexenyl)-3a,6,6,12a-tetramethyltetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-ol"	5370134	"NSC695835; 14599-48-5; 1-(5-Hydroxy-1,5-dimethyl-3-hexenyl)-3a,6,6,12a-tetramethyltetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-ol; 9,19-Cyclolanost-23-ene-3,25-diol, (3.beta.,23E)-; [(E)-5-hydroxy-1,5-dimethyl-hex-3-enyl]-tetramethyl-[ ]ol; 1-[(3E)-5-Hydroxy-1,5-dimethyl-3-hexenyl]-3a,6,6,12a-tetramethyltetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-ol #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695835	.	.	.	.	442.7	C30H50O2	40.5	797	8	32	2	2	4	"InChI=1S/C30H50O2/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)23-11-10-22-26(4,5)24(31)13-16-29(22)19-30(23,29)18-17-27(21,28)6/h8,14,20-24,31-32H,9-13,15-19H2,1-7H3/b14-8+"	CC(C/C=C/C(C)(C)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C	JSPGKOBNHWTKNT-RIYZIHGNSA-N
DG61704	(2E)-N-Propyl-2-[1-(pyridin-2-yl)ethylidene]hydrazine-1-carbothioamide	5371176	75013-65-9; SCHEMBL21994236; DTXSID40418685; NSC317908; ZINC17122081; NSC-317908; 1-(2-Pyridyl)ethanone 4-propylthiosemicarbazone; (2E)-N-Propyl-2-[1-(pyridin-2-yl)ethylidene]hydrazine-1-carbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	317908	.	.	.	.	236.34	C11H16N4S	81.4	252	2	16	2	3	4	"InChI=1S/C11H16N4S/c1-3-7-13-11(16)15-14-9(2)10-6-4-5-8-12-10/h4-6,8H,3,7H2,1-2H3,(H2,13,15,16)/b14-9+"	CCCNC(=S)N/N=C(\\C)/C1=CC=CC=N1	WYTOKZJSUZKLNF-NTEUORMPSA-N
DG61705	N-[(E)-1-(1-oxidopyridin-1-ium-2-yl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide	5371388	NSC351074; NCI60_003129; N'-(1-(1-Hydroxy-1lambda~5~-pyridin-2-yl)ethylidene)-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide; N-[(E)-1-(1-oxidopyridin-1-ium-2-yl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	351074	.	.	.	.	318.4	C16H22N4OS	83.5	545	3.5	22	1	4	1	"InChI=1S/C16H22N4OS/c1-12(15-4-2-3-9-20(15)21)17-18-16(22)19-10-13-5-6-14(11-19)8-7-13/h2-4,9,13-14,21H,5-8,10-11H2,1H3/b15-12+,18-17 "	C/C(=C\\1/C=CC=CN1O)/N=NC(=S)N2CC3CCC(C2)CC3	JXKAUGIWBHDWSM-PPMQQXKDSA-N
DG61706	N-[(Z)-1-thiazol-2-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide	5371587	"NSC354670; ZINC16940500; {3-Azabicyclo[3.2.2]nonane-3-carbothioic} acid, {[1-(2-thiazolyl)ethylidene]hydrazide}; N'-(1-(1,3-Thiazol-2-yl)ethylidene)-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide; N-[(Z)-1-thiazol-2-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	354670	.	.	.	.	308.5	C14H20N4S2	101	377	2.9	20	1	4	2	"InChI=1S/C14H20N4S2/c1-10(13-15-6-7-20-13)16-17-14(19)18-8-11-2-3-12(9-18)5-4-11/h6-7,11-12H,2-5,8-9H2,1H3,(H,17,19)/b16-10-"	C/C(=N/NC(=S)N1CC2CCC(C1)CC2)/C3=NC=CS3	OHHANFDQXBLKIW-YBEGLDIGSA-N
DG61707	"2-Cyclopenten-1-one, 4,5-dihydroxy-3-(1-propenyl)-"	5372499	"2-Cyclopenten-1-one, 4,5-dihydroxy-3-(1-propenyl)-; 4,5-dihydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one; NSC291308; Isoterrein; NSC-291308; SCHEMBL1884982; CHEMBL1981317; SCHEMBL12658627; BS-1134; 2-Cyclopenten-1-one,5-dihydroxy-3-propenyl-; 2-Cyclopenten-1-one, 4,5-dihydroxy-3-propenyl-; 2-Cyclopenten-1-one,5-dihydroxy-3-(1-propenyl)-; 2-Cyclopenten-1-one, 4,5-dihydroxy-3-(1-propenyl)-, (4S-(3(E),4.alpha.,5.beta.))-; 2-Cyclopenten-1-one,5-dihydroxy-3-(1-propenyl)-, [4S-[3(E),4.alpha.,5.beta.]]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	291308	.	.	.	.	154.16	C8H10O3	57.5	228	-0.6	11	2	3	1	"InChI=1S/C8H10O3/c1-2-3-5-4-6(9)8(11)7(5)10/h2-4,7-8,10-11H,1H3/b3-2+"	C/C=C/C1=CC(=O)C(C1O)O	MHOOPNKRBMHHEC-NSCUHMNNSA-N
DG61708	2-[3-(4-Chloro-phenylsulfanyl)-3-(4-fluoro-phenyl)-allyliden e]-malononitrile	5372567	"NSC725050; ZINC68521; AKOS024390715; NSC-725050; 2-[(2Z)-3-[(4-Chlorophenyl)sulfanyl]-3-(4-fluorophenyl)-2-propenylidene]malononitrile #; 2-[3-(4-Chloro-phenylsulfanyl)-3-(4-fluoro-phenyl)-allyliden e]-malononitrile; Propanedinitrile, 2-[3-(4-chlorophenylthio)-3-(4-fluorophenyl)-2-propenylideno]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725050	.	.	.	.	340.8	C18H10ClFN2S	72.9	534	5.2	23	0	4	4	InChI=1S/C18H10ClFN2S/c19-15-4-8-17(9-5-15)23-18(10-1-13(11-21)12-22)14-2-6-16(20)7-3-14/h1-10H/b18-10-	C1=CC(=CC=C1/C(=C/C=C(C#N)C#N)/SC2=CC=C(C=C2)Cl)F	HDQUEDRELODXLJ-ZDLGFXPLSA-N
DG61709	p-(2-Nitropropenyl)anisole	5372879	"p-(2-Nitropropenyl)anisole; Benzene, 1-methoxy-4-(2-nitro-1-propenyl)-; 1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene; 17354-63-1; NSC65601; 1-(4-METHOXYPHENYL)-2-NITROPROPENE; CHEMBL1996638; ZINC98175; 37629-51-9; NSC-65601; AKOS003662903; 4-Methoxy-beta-methyl-beta-nitrostyrene; 4-Methoxy-.beta.-methyl-.beta.-nitrostyrene; 1-(P-METHOXYPHENYL)-2-NITRO-1-PROPENE; 1-[(Z)-2-Nitro-1-propenyl]-4-methoxybenzene; CIS-4-METHOXY-BETA-METHYL-BETA-NITRO-STYRENE; Methyl 4-[(1Z)-2-nitro-1-propenyl]phenyl ether #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	65601	.	.	.	.	193.2	C10H11NO3	55	224	2.5	14	0	3	2	"InChI=1S/C10H11NO3/c1-8(11(12)13)7-9-3-5-10(14-2)6-4-9/h3-7H,1-2H3/b8-7-"	C/C(=C/C1=CC=C(C=C1)OC)/[N+](=O)[O-]	XQGFRDLMKKKSAH-FPLPWBNLSA-N
DG61710	2-(4-Bromobenzylidene)cyclohexanone	5374974	2-(4-Bromobenzylidene)cyclohexanone; NSC670683; CHEMBL1974885; SCHEMBL21612525; ZINC1855920; NSC-670683; (2E)-2-(4-Bromobenzylidene)cyclohexanone #; (2E)-2-[(4-bromophenyl)methylene]cyclohexanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670683	.	.	.	.	265.14	C13H13BrO	17.1	262	3.7	15	0	1	1	"InChI=1S/C13H13BrO/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h5-9H,1-4H2/b11-9+"	C1CCC(=O)/C(=C/C2=CC=C(C=C2)Br)/C1	YUBREKBGODHJOS-PKNBQFBNSA-N
DG61711	7-Hydroxy-2-nonyl-4H-chromen-4-one	5375154	"NSC631965; SCHEMBL3663082; CHEMBL1995791; Chrom-7-ol-4-one, 2-nonyl-; 7-hydroxy-2-nonyl-chromen-4-one; 7-Hydroxy-2-nonyl-4H-chromen-4-one; NSC-631965; 7-Hydroxy-2-nonyl-4H-chromen-4-one #; NCI60_010538"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631965	.	.	.	.	288.4	C18H24O3	46.5	362	6.4	21	1	3	8	"InChI=1S/C18H24O3/c1-2-3-4-5-6-7-8-9-15-13-17(20)16-11-10-14(19)12-18(16)21-15/h10-13,19H,2-9H2,1H3"	CCCCCCCCCC1=CC(=O)C2=C(O1)C=C(C=C2)O	LZGSPEQXACEODB-UHFFFAOYSA-N
DG61712	"Anthranilaldehyde, phenylhydrazone"	5375979	"Nitrin; Anthranilaldehyde, phenylhydrazone; NSC59996; NSC-59996; ZINC17316786; Q27262631"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	59996	.	.	.	.	211.26	C13H13N3	50.4	221	2.9	16	2	3	3	"InChI=1S/C13H13N3/c14-13-9-5-4-6-11(13)10-15-16-12-7-2-1-3-8-12/h1-10,16H,14H2/b15-10-"	C1=CC=C(C=C1)N/N=C\\C2=CC=CC=C2N	LCPNCBSCOIMOBC-GDNBJRDFSA-N
DG61713	"1,3-dimethoxy-5-[(Z)-2-nitroprop-1-enyl]benzene"	5376397	"NSC658453; 1,3-dimethoxy-5-[(Z)-2-nitroprop-1-enyl]benzene; ZINC31852835; 1-(3,5-Dimethoxyphenyl)-2-nitro-1-propene; cis-3,5-Dimethoxy-.beta.-methyl-.beta.--nitrostyrene; cis-3,5-Dimethoxy-.beta.-methyl-.beta.-nitrostyrene; 1,3-Dimethoxy-5-[(1Z)-2-nitro-1-propenyl]benzene #; trans-3,5-Dimethoxy-.beta.-methyl-.beta.-nitrostyrene; (2-(3,5-Dimethoxyphenyl)-1-methylvinyl)(hydroxy)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658453	.	.	.	.	223.22	C11H13NO4	64.3	260	2.5	16	0	4	3	"InChI=1S/C11H13NO4/c1-8(12(13)14)4-9-5-10(15-2)7-11(6-9)16-3/h4-7H,1-3H3/b8-4-"	C/C(=C/C1=CC(=CC(=C1)OC)OC)/[N+](=O)[O-]	COWWUDOIMZXGFM-YWEYNIOJSA-N
DG61714	2-(m-Nitrostyryl)pyridine	5376493	"2-[(E)-2-(3-nitrophenyl)vinyl]pyridine; 2-(m-Nitrostyryl)pyridine; 55532-26-8; 2-[(E)-2-(3-Nitrophenyl)ethenyl]pyridine; MLS000737862; NSC19637; 5425-74-1; (E)-2-(3-Nitrostyryl)pyridine; SMR000528194; 2-[2-(3-nitrophenyl)ethenyl]pyridine; 2-(3-nitrostyryl)pyridine; Cambridge id 5104428; SCHEMBL4710210; CHEMBL3191512; BDBM93850; cid_5376493; HMS551L17; (H)-2-(3-Nitrostyryl)pyridine; HMS2870A17; ALBB-023745; NSC13860; ZINC3880730; CCG-55840; MFCD00121758; NSC-13860; NSC-19637; AKOS001058642; LS-07515; (E)-2-[2-(3-nitrophenyl)vinyl]pyridine; CS-0322928; 2-[(1E)-2-(3-nitrophenyl)ethenyl]pyridine; 2-[(E)-2-(3-Nitrophenyl)ethenyl]pyridine #; pyridine, 2-[(E)-2-(3-nitrophenyl)ethenyl]-; 2-(2-(3-NITROPHENYL)-TRANS-VINYL)PYRIDINE; Pyridine, 2-[2-(3-nitrophenyl)ethenyl]-, trans-; SR-01000644842-1; Q63409873"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19637	.	.	.	.	226.23	C13H10N2O2	58.7	286	3	17	0	3	2	InChI=1S/C13H10N2O2/c16-15(17)13-6-3-4-11(10-13)7-8-12-5-1-2-9-14-12/h1-10H/b8-7+	C1=CC=NC(=C1)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]	NFTQPJVUAHNPTC-BQYQJAHWSA-N
DG61715	3-(4-(Dimethylamino)phenyl)-2-phenylacrylonitrile	5377203	"MLS000756781; 1222-61-3; CHEMBL1998001; NSC15785; NSC130860; NSC636948; NSC667261; NSC-636948; 3-(4-(Dimethylamino)phenyl)-2-phenylacrylonitrile; Benzene, 1-dimethylamino-4-(2-cyano-2-phenylethenyl); NSC 15785; NSC 130860; NSC 636948; NSC 667261; Benzene, 1-dimethylamino-4(2-cyano-2-phenylethenyl)-; SCHEMBL14965059; SCHEMBL14965061; ZINC407984; BDBM50383372; NSC-15785; AKOS023197028; NSC-130860; NSC-667261; NCGC00246964-01; SMR000529063; 3-(4-dimethylaminophenyl)-2-phenylacrylonitrile; alpha-Phenyl-4-(dimethylamino)-cis-cinnamonitrile; (Z)-3-(4-dimethylaminophenyl)-2-phenyl-prop-2-enenitrile; 2-Propenenitrile, 3-[4-(dimethylamino)phenyl]- 2-phenyl-; (2Z)-3-[4-(Dimethylamino)phenyl]-2-phenyl-2-propenenitrile; (2Z)-3-[4-(Dimethylamino)phenyl]-2-phenyl-2-propenenitrile #; 2-Propenenitrile, {3-[4-(dimethylamino)phenyl]-} 2-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667261	.	.	.	.	248.32	C17H16N2	27	347	3.8	19	0	2	3	"InChI=1S/C17H16N2/c1-19(2)17-10-8-14(9-11-17)12-16(13-18)15-6-4-3-5-7-15/h3-12H,1-2H3/b16-12+"	CN(C)C1=CC=C(C=C1)/C=C(\\C#N)/C2=CC=CC=C2	HYAJIHDALOHMPT-FOWTUZBSSA-N
DG61716	1-Hydroxy-3-methoxy-10-methylacridone	5377412	"NSC681019; 1-Hydroxy-3-methoxy-10-methylacridone; 1-hydroxy-3-methoxy-10-methylacridin-9-one; 1-hydroxy-3-methoxy-n-methylacridone; 1-Hydroxy-3-methoxy-10-methyl-9(10H)-acridinone; SCHEMBL424353; CHEMBL1094824; CHEBI:173801; NSC-681019; 1-Hydroxy-3-methoxy-N-methylrutacridone; NCI60_028892; RD7-5040; 1-Hydroxy-3-methoxy-10-methyl-9-acridanone; 1-hydroxy-3-methoxy-10-methyl-acridin-9-one; 1-Hydroxy-3-methoxy-10-methyl-10-hydroacridin-9-one; 1-Hydroxy-3-methoxy-10-methyl-9(10H)-acridinone #; 1-hydroxy-3-methoxy-10-methyl-9,10-dihydroacridin-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681019	.	.	.	.	255.27	C15H13NO3	49.8	359	3.3	19	1	4	1	"InChI=1S/C15H13NO3/c1-16-11-6-4-3-5-10(11)15(18)14-12(16)7-9(19-2)8-13(14)17/h3-8,17H,1-2H3"	CN1C2=CC=CC=C2C(=O)C3=C1C=C(C=C3O)OC	OCUBFJMZYYIVBO-UHFFFAOYSA-N
DG61717	3-(2-Chlorophenyl)-1-(1-naphthyl)prop-2-en-1-one	5377479	NSC640530; 3-(2-Chlorophenyl)-1-(1-naphthyl)prop-2-en-1-one; 36203-42-6; CHEMBL1986966; ZINC5669592; MFCD00278626; NSC-640530; 3-(2-Chlorophenyl)-1-(1-naphthyl)-2-propen-1-one; (E)-3-(2-chlorophenyl)-1-(1-naphthyl)prop-2-en-1-one; (2E)-3-(2-Chlorophenyl)-1-(1-naphthyl)-2-propen-1-one #	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640530	.	.	.	.	292.8	C19H13ClO	17.1	389	5.6	21	0	1	3	InChI=1S/C19H13ClO/c20-18-11-4-2-7-15(18)12-13-19(21)17-10-5-8-14-6-1-3-9-16(14)17/h1-13H/b13-12+	C1=CC=C2C(=C1)C=CC=C2C(=O)/C=C/C3=CC=CC=C3Cl	VCEPBNDYZZBYQS-OUKQBFOZSA-N
DG61718	4-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline	5377590	"4-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline; 4-[2-(4-methoxyphenyl)ethenyl]quinoline; NSC69600; 2859-55-4; 31059-69-5; Quinoline, 4-(p-methoxystyryl)-; Quinoline, 4-(p-methoxystyryl)-, (E)-; Quinoline, 4-[2-(4-methoxyphenyl)ethenyl]-, (E)-; CHEMBL1883827; ZINC8626495; NSC-69600; 4-[2-(4-methoxyphenyl)vinyl]quinoline; NCGC00184055-01; NCGC00184055-02; NCGC00184055-03; NCGC00184055-04; NCGC00184055-05; NCGC00184055-06; NCGC00184055-07; 4-[(E)-2-(4-methoxyphenyl)vinyl]quinoline; methyl 4-[2-(4-quinolinyl)vinyl]phenyl ether; A820707; AT-051/41206023; Quinoline, 4-[(E)-2-(4-methoxyphenyl)ethenyl]-; Methyl 4-[(E)-2-(4-quinolinyl)ethenyl]phenyl ether #; 31059-68-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69600	.	.	.	.	261.3	C18H15NO	22.1	319	4.5	20	0	2	3	"InChI=1S/C18H15NO/c1-20-16-10-7-14(8-11-16)6-9-15-12-13-19-18-5-3-2-4-17(15)18/h2-13H,1H3/b9-6+"	COC1=CC=C(C=C1)/C=C/C2=CC=NC3=CC=CC=C23	WWQSNGMSYOYSOC-RMKNXTFCSA-N
DG61719	2-(P-Dimethylaminostyryl)benzothiazole	5378081	"2-(P-DIMETHYLAMINOSTYRYL)BENZOTHIAZOLE; 4-[(E)-2-(1,3-Benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline; 1628-58-6; UNII-151J9IY8BY; MLS000573782; 151J9IY8BY; CHEMBL565657; 144528-14-3; Benzothiazole, 2-(p-(dimethylamino)styryl)-; Benzothiazole, 2-[p-(dimethylamino)styryl]-; trans-2-[4-(Dimethylamino)styryl]benzothiazole; SMR000184633; 4-(2-(2-Benzothiazol-2-yl)vinyl)-N,N-dimethylaniline; 4-[2-(2-benzothiazol-2-yl)vinyl]-N,N-dimethylaniline; 4-[2-(1,3-benzothiazol-2-yl)vinyl]-N,N-dimethylaniline; Benzenamine, 4-(2-(2-benzothiazolyl)ethenyl)-N,N-dimethyl-; p-Dimethylaminostyrylbenzothiazole; HSDB 5844; EINECS 216-622-2; 2-(4-Dimethylaminostyryl)benzothiazole; NSC 402471; 2-(p-(Dimethylamino)styryl)benzothiazole; Benzenamine, 4-[2-(2-benzothiazolyl)ethenyl]-N,N-dimethyl-; BIDD:GT0364; SCHEMBL476578; [4-((1E)-2-benzothiazol-2-ylvinyl)phenyl]dimethylamine; BDBM52401; cid_5378081; HMS2387E08; p-(Dimethylamino)styrylbenzothiazole; ZINC3848416; NSC402471; STK396496; AKOS000507399; 2N-547S; NSC-402471; NCGC00184126-01; NCGC00184126-02; NCGC00184126-03; NCGC00184126-04; NCGC00184126-05; NCGC00184126-06; NCGC00184126-07; NCGC00184126-08; 2-(4-(Dimethylamino)styryl)benzothiazole; WLN: T56 BN DSJ C1U1R DN1&1; CS-0357403; Trans-2-(4-dimethylamino)styryl)benzothiazole; 2-[(E)-4-(Dimethylamino)styryl]benzothiazole; Q27251670; 4-(2-(1,3-Benzothiazol-2-yl)ethenyl)-N,N-dimethylaniline; (E)-4-(2-(benzo[d]thiazol-2-yl)vinyl)-N,N-dimethylaniline; [4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]phenyl]-dimethyl-amine; 4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethyl-aniline; N-{4-[(E)-2-(1,3-benzothiazol-2-yl)-1-ethenyl]phenyl}-N,N-dimethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	402471	.	.	.	.	280.4	C17H16N2S	44.4	334	4.8	20	0	3	3	"InChI=1S/C17H16N2S/c1-19(2)14-10-7-13(8-11-14)9-12-17-18-15-5-3-4-6-16(15)20-17/h3-12H,1-2H3/b12-9+"	CN(C)C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3S2	MVMOMSLTZMMLJR-FMIVXFBMSA-N
DG61720	Xantocillin	5378293	"Xantocillin; Xanthocillin X; Xanthocillin; Ophthocillin; Brevicid; Brevicide; Trianthil; Xantyrid; Brevicide-X; Xanthocillin (x); 580-74-5; UNII-06Z55VZ40D; ETHYLENE ISOCYANIDE, BIS(p-HYDROXYBENZYLIDENE)-; Xanthocillinum; 06Z55VZ40D; NSC-179485; NSC-227183; Xantocilina; Xantocillinum; Xantocilline; 1,3-di-isonitrilo-1,3-butadien; Xantocilina [INN-Spanish]; Xantocilline [INN-French]; Xantocillinum [INN-Latin]; WLN: QR D1UYNU1&YNU1&U1R DQ; Xantocillin [INN:BAN]; BRN 3700094; Phenol,4'-(2,3-diisocyano-1,3-butadiene-1,4-diyl)bis-; EINECS 234-271-3; 1,4-Di-p-oxyphenyl-2,3-di-isonitrilo-1,3-butadien; Brevicide, Xanthocillin X; 4-13-00-02885 (Beilstein Handbook Reference); SCHEMBL3773785; SCHEMBL4264133; CHEMBL1977264; DTXSID801018149; NSC179485; NSC227183; 4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]phenol; BS-1175; 11042-38-9; Antibiotic obtained from cultures of Penicillium notatum or the same substance produced by any other means; HY-122404; CS-0085072; UNII-EX637I77PC component YBMVKDUTYAGKEW-WHYMJUELSA-N; (1Z, 3Z)-2,3-diisocyano-1,4-bis(4-hydroxyphenyl)buta-1,3-diene; (1Z,3Z)-2,3-diisocyano-1,4-bis(4-hydroxyphenyl)buta-1,3-diene; Phenol, 4,4'-(2,3-diisocyano-1,3-butadiene-1,4-diyl)bis- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	179485	.	.	.	.	288.3	C18H12N2O2	49.2	480	3.1	22	2	4	3	"InChI=1S/C18H12N2O2/c1-19-17(11-13-3-7-15(21)8-4-13)18(20-2)12-14-5-9-16(22)10-6-14/h3-12,21-22H/b17-11-,18-12-"	[C-]#[N+]/C(=C\\C1=CC=C(C=C1)O)/C(=C/C2=CC=C(C=C2)O)/[N+]#[C-]	YBMVKDUTYAGKEW-WHYMJUELSA-N
DG61721	"1H-Azepine-1-carbothioic acid, [1-(3-methylpyrazinyl)ethylidene]hydrazide"	5378367	"NSC359708; CHEMBL1978968; NSC-359708; 1H-Azepine-1-carbothioic acid, [1-(3-methylpyrazinyl)ethylidene]hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	359708	.	.	.	.	291.42	C14H21N5S	85.5	350	1.8	20	1	4	2	"InChI=1S/C14H21N5S/c1-11-13(16-8-7-15-11)12(2)17-18-14(20)19-9-5-3-4-6-10-19/h7-8H,3-6,9-10H2,1-2H3,(H,18,20)/b17-12+"	CC1=NC=CN=C1/C(=N/NC(=S)N2CCCCCC2)/C	OMUIGEYISHKSJE-SFQUDFHCSA-N
DG61722	"2-(3,4-Dimethoxyphenyl)-7-hydroxy-4H-chromen-4-one"	5378518	"2-(3,4-Dimethoxyphenyl)-7-hydroxy-4H-chromen-4-one; 33513-36-9; 7-Hydroxy-3',4'-dimethoxyflavone; 3',4'-Dimethoxy-7-hydroxyflavone; 7-Hydroxy-3',4'-dimethoxy flavone; NSC123383; 2-(3,4-dimethoxyphenyl)-7-hydroxychromen-4-one; UNII-5JN0O0F1KZ; NSC-123383; Flavone, 7-hydroxy-3',4'-dimethoxy-; 5JN0O0F1KZ; MLS002707291; CHEMBL345778; 7-Hydroxy-3,4'-dimethoxy flavone; NSC 123383; Flavone,4'-dimethoxy-; SCHEMBL4400168; DTXSID50187153; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-7-hydroxy-; ZINC5640361; 3',4'-dimethoxy-7-hydroxy-flavone; 3', 4'-Dimethoxy-7-hydroxyflavone; BDBM50049402; LMPK12110048; NCI60_000550; SMR001574685; 2-(3,4-dimethoxyphenyl)-7-hydroxy-chromen-4-one; 2-(3,4-Dimethoxy-phenyl)-7-hydroxy-chromen-4-one; 4H-1-Benzopyran-4-one,4-dimethoxyphenyl)-7-hydroxy-; Q23371022; 2-(3,4-Dimethoxyphenyl)-7-hydroxy-4H-chromen-4-one #; 4H-1-Benzopyran-4-one, 2-(3, 4-dimethoxyphenyl)-7-hydroxy-; 40433-32-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123383	.	.	.	.	298.29	C17H14O5	65	446	3.6	22	1	5	3	"InChI=1S/C17H14O5/c1-20-14-6-3-10(7-17(14)21-2)15-9-13(19)12-5-4-11(18)8-16(12)22-15/h3-9,18H,1-2H3"	COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O)OC	MEDOAKSPIIOKFU-UHFFFAOYSA-N
DG61723	"5,7-Dihydroxy-2-nonyl-chromen-4-one"	5378621	"NSC684578; 5,7-dihydroxy-2-nonyl-chromen-4-one; SCHEMBL3838488; CHEMBL2003972; Chrom-5,7-diol-4-one, 2-nonyl-; NSC-684578; NCI60_030392; 5,7-Dihydroxy-2-nonyl-4H-chromen-4-one; 5,7-Dihydroxy-2-nonyl-gamma-chromene-4-one; 5,7-Dihydroxy-2-nonyl-4H-chromen-4-one #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684578	.	.	.	.	304.4	C18H24O4	66.8	391	4.9	22	2	4	8	"InChI=1S/C18H24O4/c1-2-3-4-5-6-7-8-9-14-12-16(21)18-15(20)10-13(19)11-17(18)22-14/h10-12,19-20H,2-9H2,1H3"	CCCCCCCCCC1=CC(=O)C2=C(C=C(C=C2O1)O)O	GNPQWPVJZHHCFA-UHFFFAOYSA-N
DG61724	N-Phenyl-2-(pyridine-2-carbonyl)hydrazine-1-carbothioamide	5380527	60838-16-6; NSC98923; DTXSID10418915; NSC-98923; N-Phenyl-2-(pyridine-2-carbonyl)hydrazine-1-carbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98923	.	.	.	.	272.33	C13H12N4OS	98.1	318	1.4	19	3	3	2	"InChI=1S/C13H12N4OS/c18-12(11-8-4-5-9-14-11)16-17-13(19)15-10-6-2-1-3-7-10/h1-9H,(H,16,18)(H2,15,17,19)"	C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=N2	JJHSYWHPMJELRP-UHFFFAOYSA-N
DG61725	[(Z)-4-nitro-5-phenanthren-9-ylpent-4-enyl] acetate	5380575	NSC100777; 19889-62-4; DTXSID20418921; NSC-100777	.	.	Investigative Drug(s)	Investigative	Small molecular drug	100777	.	.	.	.	349.4	C21H19NO4	72.1	539	5.2	26	0	4	6	"InChI=1S/C21H19NO4/c1-15(23)26-12-6-8-18(22(24)25)14-17-13-16-7-2-3-9-19(16)21-11-5-4-10-20(17)21/h2-5,7,9-11,13-14H,6,8,12H2,1H3/b18-14-"	CC(=O)OCCC/C(=C/C1=CC2=CC=CC=C2C3=CC=CC=C31)/[N+](=O)[O-]	YIAWNHCXKUPDLR-JXAWBTAJSA-N
DG61726	"[(E)-(1,2,3,4-tetrafluorofluoren-9-ylidene)amino]thiourea"	5380664	MLS002703728; NSC102378; ZINC1674728; NSC-102378	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102378	.	.	.	.	325.29	C14H7F4N3S	82.5	489	3.3	22	2	6	1	"InChI=1S/C14H7F4N3S/c15-9-7-5-3-1-2-4-6(5)13(20-21-14(19)22)8(7)10(16)12(18)11(9)17/h1-4H,(H3,19,21,22)/b20-13+"	C1=CC=C\\2C(=C1)C3=C(/C2=N/NC(=S)N)C(=C(C(=C3F)F)F)F	GVQGBSJWHBZGID-DEDYPNTBSA-N
DG61727	NSC104942	5380731	"(7,9a-dihydroxy-9-methyl-3-methylidene-2-oxospiro[3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-6,2'-oxirane]-4-yl) (Z)-2-methylbut-2-enoate; EUPAROTIN; NSC104942; (7,9a-dihydroxy-9-methyl-3-methylidene-2-oxospiro[3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-6,2'-oxirane]-4-yl) (Z)-2-methylbut-2-enoate; 10191-01-2; [(3aR,4R,6R,6aR,7R,9aS,9bS)-7,9a-dihydroxy-9-methyl-3-methylidene-2-oxospiro[3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-6,2'-oxirane]-4-yl] (Z)-2-methylbut-2-enoate; CHEMBL1990929; NSC-104942"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	104942	.	.	.	.	376.4	C20H24O7	106	796	0.3	27	2	7	3	"InChI=1S/C20H24O7/c1-5-9(2)17(22)26-13-7-19(8-25-19)15-12(21)6-10(3)20(15,24)16-14(13)11(4)18(23)27-16/h5-6,12-16,21,24H,4,7-8H2,1-3H3/b9-5-"	C/C=C(/C)\\C(=O)OC1CC2(CO2)C3C(C=C(C3(C4C1C(=C)C(=O)O4)O)C)O	ADBOAFOIAMBXJT-UITAMQMPSA-N
DG61728	Senecionine N-oxide	5380876	"Senecionine N-oxide; 13268-67-2; 12-Hydroxysenecionan-11,16-dione 4-oxide; CHEBI:52070; NSC106677; Senecionine oxide; (1R,4Z,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione; senecionin-N-oxid; Senecionine, N-oxide; NSC 106677; CHEMBL471683; DTXSID901016615; HY-N6637; AKOS037515349; ACN-057196; NSC-106677; CS-0062870; Senecionan-11,16-dione, 12-hydroxy-, 4-oxide; Q27104786; (1,6)Dioxacyclododecino(2,3,4-gh)pyrrolizine-3,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-5,6-dimethyl-, 12-oxide, (3Z,5R,6R,14aR,14bR)-; (5R,6R,9a1R,14aR,Z)-3-ethylidene-6-hydroxy-5,6-dimethyl-2,7-dioxo-2,3,4,5,6,7,9,9a1,11,13,14,14a-dodecahydro-12H-[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine 12-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106677	.	.	.	.	351.4	C18H25NO6	90.9	656	0.5	25	1	6	0	"InChI=1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-,19 /m1/s1"	C/C=C\\1/C[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)O)C	PLGBHVNNYDZWGZ-GPUZEBNTSA-N
DG61729	"4-Penten-1-ol, acetate (ester)"	5380900	"NSC106859; 19893-71-1; DTXSID80418967; 4-Penten-1-ol, acetate (ester); ZINC4963452; NSC-106859"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106859	.	.	.	.	299.32	C17H17NO4	72.1	427	3.9	22	0	4	6	"InChI=1S/C17H17NO4/c1-13(19)22-10-4-7-17(18(20)21)12-14-8-9-15-5-2-3-6-16(15)11-14/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3/b17-12+"	CC(=O)OCCC/C(=C\\C1=CC2=CC=CC=C2C=C1)/[N+](=O)[O-]	GRYDOKPJPSODRL-SFQUDFHCSA-N
DG61730	10-(1-benzylpiperidin-3-yl)-2-chlorophenothiazine;(Z)-but-2-enedioic acid	5380916	NSC107237; NSC-107237	.	.	Investigative Drug(s)	Investigative	Small molecular drug	107237	.	.	.	.	523	C28H27ClN2O4S	106	630	.	36	2	7	5	"InChI=1S/C24H23ClN2S.C4H4O4/c25-19-12-13-24-22(15-19)27(21-10-4-5-11-23(21)28-24)20-9-6-14-26(17-20)16-18-7-2-1-3-8-18;5-3(6)1-2-4(7)8/h1-5,7-8,10-13,15,20H,6,9,14,16-17H2;1-2H,(H,5,6)(H,7,8)/b;2-1-"	C1CC(CN(C1)CC2=CC=CC=C2)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=C\\C(=O)O)\\C(=O)O	VUWGYXVPXSEGMM-BTJKTKAUSA-N
DG61731	1-[2-[p-[alpha-(p-Methoxyphenyl)-beta-nitrostyryl]phenoxy]ethyl]pyrrolidine citrate (1:1)	5381092	"NITROMIFENE CITRATE; CI-628 citrate; Parke davis CI-628; CI 628; CI-628; NSC-110407; 5863-35-4; CN 55945-27; Pyrrolidine, citrate (1:1); SCHEMBL637644; NSC110407; Pyrrolidine, 2-hydroxy-1,2,3-propanetricarboxylate (1:1); 1-[2-[p-[.alpha.-(p-Methoxyphenyl)-.beta.-nitrostyryl]phenoxy]ethyl]pyrrolidine citrate (1:1); Pyrrolidine, 1-[2-[p-[.alpha.-(p-methoxyphenyl)-.beta.-nitrostyryl]phenoxy]ethyl]-monocitrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	110407	.	.	.	.	636.6	C33H36N2O11	200	860	.	46	4	12	13	"InChI=1S/C27H28N2O4.C6H8O7/c1-32-24-13-9-21(10-14-24)26(27(29(30)31)23-7-3-2-4-8-23)22-11-15-25(16-12-22)33-20-19-28-17-5-6-18-28;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-4,7-16H,5-6,17-20H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b27-26-;"	COC1=CC=C(C=C1)/C(=C(\\C2=CC=CC=C2)/[N+](=O)[O-])/C3=CC=C(C=C3)OCCN4CCCC4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O	LHAPNDAERSFWSC-JTHROIFXSA-N
DG61732	1-Nitro-1-methyl-2-naphtylethene	5381681	1-NITRO-1-METHYL-2-NAPHTYLETHENE; 59832-12-1; 37629-58-6; (E)-2-(2-Nitroprop-1-en-1-yl)naphthalene; NSC121155; SCHEMBL8629342; ZINC5047649; MFCD03425382; NSC-121155; CS-0060737	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121155	.	.	.	.	213.23	C13H11NO2	45.8	293	3.8	16	0	2	1	"InChI=1S/C13H11NO2/c1-10(14(15)16)8-11-6-7-12-4-2-3-5-13(12)9-11/h2-9H,1H3/b10-8+"	C/C(=C\\C1=CC2=CC=CC=C2C=C1)/[N+](=O)[O-]	DTZVIBZSHDZFPP-CSKARUKUSA-N
DG61733	NSC121868	5381711	"(15Z)-15-benzylidene-2,4a,5,5a,7,8,13a,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one; MLS000737536; NSC121868; 25998-70-3; CHEMBL3189320; DTXSID90419122; NSC-121868; SMR000528554"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121868	.	.	.	.	422.5	C28H26N2O2	32.8	903	3.9	32	0	3	1	"InChI=1S/C28H26N2O2/c31-27-20(14-17-6-2-1-3-7-17)25-24-19-15-23-28(11-12-29(23)16-18(19)10-13-32-25)21-8-4-5-9-22(21)30(27)26(24)28/h1-10,14,19,23-26H,11-13,15-16H2/b20-14-"	C1CN2CC3=CCOC\\4C5C3CC2C16C5N(C7=CC=CC=C67)C(=O)/C4=C\\C8=CC=CC=C8	IBBIDRLVXCGALA-ZHZULCJRSA-N
DG61734	N-[4-[(E)-2-nitroethenyl]phenyl]acetamide	5381768	"N-[4-(2-nitroethenyl)phenyl]acetamide; N-[4-[(E)-2-nitroethenyl]phenyl]acetamide; 20805-52-1; N-{4-[(E)-2-NITROETHENYL]PHENYL}ACETAMIDE; NSC122822; Bio7C8; CHEMBL596478; SCHEMBL8634653; ZINC104555; ANM100634; CCG-50650; 1-(4-Acetamidophenyl)-2-nitroethene; NSC-122822; Acetamide, N-[4-(2-nitroethenyl)phenyl]-; SR-01000640013; SR-01000640013-1; SR-01000640013-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	122822	.	.	.	.	206.2	C10H10N2O3	74.9	262	1.6	15	1	3	2	"InChI=1S/C10H10N2O3/c1-8(13)11-10-4-2-9(3-5-10)6-7-12(14)15/h2-7H,1H3,(H,11,13)/b7-6+"	CC(=O)NC1=CC=C(C=C1)/C=C/[N+](=O)[O-]	BWLIIZFNXSJVLW-VOTSOKGWSA-N
DG61735	Dehydrodeoxyaspergillic acid	5381915	NSC127444; Dehydrodeoxyaspergillic acid; ZINC8627900	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127444	.	.	.	.	206.28	C12H18N2O	41.5	349	2.2	15	1	2	3	"InChI=1S/C12H18N2O/c1-5-9(4)11-7-13-10(6-8(2)3)12(15)14-11/h5,7-8H,6H2,1-4H3,(H,14,15)/b9-5+"	C/C=C(\\C)/C1=CN=C(C(=O)N1)CC(C)C	CPEXOOKUZLOULG-WEVVVXLNSA-N
DG61736	1-Methyl-2-[(E)-2-nitroethenyl]-1H-indole	5382055	1-Methyl-2-[(E)-2-nitroethenyl]-1H-indole; 7171-84-8; 1-methyl-2-(2-nitrovinyl)-1H-indole; NSC131888; 1-methyl-2-[(E)-2-nitroethenyl]indole; DTXSID00419173; ZINC1719408; NSC-131888; 1-methyl-2-(2-nitroethenyl)-1H-indole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131888	.	.	.	.	202.21	C11H10N2O2	50.8	272	2.7	15	0	2	1	"InChI=1S/C11H10N2O2/c1-12-10(6-7-13(14)15)8-9-4-2-3-5-11(9)12/h2-8H,1H3/b7-6+"	CN1C2=CC=CC=C2C=C1/C=C/[N+](=O)[O-]	MFIKGARNCHFDPV-VOTSOKGWSA-N
DG61737	2-(9-Octadecenyl)-2-imidazoline-1-ethanol	5382359	NSC138144; SCHEMBL217512; 16058-19-8; NSC-138144; 2-(9-Octadecenyl)-2-imidazoline-1-ethanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	138144	.	.	.	.	364.6	C23H44N2O	35.8	365	6.7	26	1	2	18	"InChI=1S/C23H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24-19-20-25(23)21-22-26/h9-10,26H,2-8,11-22H2,1H3/b10-9+"	CCCCCCCC/C=C/CCCCCCCCC1=NCCN1CCO	XRRROBQIQXHHHV-MDZDMXLPSA-N
DG61738	Datiscoside	5382554	Datiscoside; Datisca principle A; CUCURBITACIN D DEHYDROEPIRHAMNOSIDE; NSC144153; 36067-56-8; CHEMBL1966757; NSC-144153	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144153	.	.	.	.	702.8	C38H54O12	194	1540	1.4	50	4	12	8	"InChI=1S/C38H54O12/c1-18-27(43)28(44)29(49-19(2)39)32(48-18)50-23-16-35(7)24-12-11-20-21(15-22(40)31(45)34(20,5)6)37(24,9)26(42)17-36(35,8)30(23)38(10,47)25(41)13-14-33(3,4)46/h11,13-14,18,21-24,27,29-30,32,40,43,46-47H,12,15-17H2,1-10H3/b14-13+/t18 ,21-,22+,23-,24+,27 ,29 ,30+,32 ,35+,36-,37+,38+/m1/s1"	CC1C(C(=O)C(C(O1)O[C@@H]2C[C@]3([C@@H]4CC=C5[C@H]([C@@]4(C(=O)C[C@@]3([C@H]2[C@](C)(C(=O)/C=C/C(C)(C)O)O)C)C)C[C@@H](C(=O)C5(C)C)O)C)OC(=O)C)O	RRPAPBCRZGEXTR-NQSVWVJWSA-N
DG61739	"Rifamycin, 3-[(4-methyl-1-piperazinyl)methyl]-"	5382571	"NSC145611; MLS002702021; NSC-145611; 4075-44-9; Rifamycin, 3-[(4-methyl-1-piperazinyl)methyl]-; 2,11,13]trienimino)naphtho[2,1-b]- furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydro-23- methoxy-2,4,12,16,18,20,22-heptamethyl-8-[(4-methyl-1-piperazinyl)methyl]-, 21-acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	145611	.	.	.	.	809.9	C43H59N3O12	208	1550	4.6	58	6	14	5	"InChI=1S/C43H59N3O12/c1-21-12-11-13-22(2)42(54)44-33-28(20-46-17-15-45(9)16-18-46)37(51)30-31(38(33)52)36(50)26(6)40-32(30)41(53)43(8,58-40)56-19-14-29(55-10)23(3)39(57-27(7)47)25(5)35(49)24(4)34(21)48/h11-14,19,21,23-25,29,34-35,39,48-52H,15-18,20H2,1-10H3,(H,44,54)/b12-11+,19-14+,22-13-/t21-,23+,24 ,25 ,29-,34-,35+,39+,43-/m0/s1"	C[C@H]1/C=C/C=C(\\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H](C([C@@H](C([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)CN5CCN(CC5)C)/C	JIJQRBWJNKPMEO-GDVSYNKOSA-N
DG61740	"(1E,4E)-1,5-di(pyridin-3-yl)penta-1,4-dien-3-one"	5382674	"MLS000766145; (1E,4E)-1,5-di(pyridin-3-yl)penta-1,4-dien-3-one; 3939-04-6; SMR000528628; NSC149286; 1,4-Pentadien-3-one, 1,5-di-3-pyridyl-; 1, 1,5-di-3-pyridyl-; SCHEMBL5598850; CHEMBL1971185; DTXSID70419307; BDBM191744; HMS2868M19; STK024992; ZINC15894745; AKOS003827368; NSC-149286; US9187397, 3; US9187397, 31; (1E,4E)-1,5-bis(3-pyridyl)penta-1,4-dien-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	149286	.	.	.	.	236.27	C15H12N2O	42.8	293	2	18	0	3	4	"InChI=1S/C15H12N2O/c18-15(7-5-13-3-1-9-16-11-13)8-6-14-4-2-10-17-12-14/h1-12H/b7-5+,8-6+"	C1=CC(=CN=C1)/C=C/C(=O)/C=C/C2=CN=CC=C2	UWILVEPRHIRCJK-KQQUZDAGSA-N
DG61741	"1-[(E)-2-phenylethenyl]-9H-pyrido[3,4-b]indole"	5382687	"MLS000766149; SMR000528629; NSC149849; 1-[(E)-2-phenylethenyl]-9H-pyrido[3,4-b]indole; CHEMBL443510; BDBM96169; cid_5382687; 1-[(E)-styryl]-9H-beta-carboline; ZINC13634514; NSC-149849"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	149849	.	.	.	.	270.3	C19H14N2	28.7	372	4.6	21	1	1	2	"InChI=1S/C19H14N2/c1-2-6-14(7-3-1)10-11-18-19-16(12-13-20-18)15-8-4-5-9-17(15)21-19/h1-13,21H/b11-10+"	C1=CC=C(C=C1)/C=C/C2=NC=CC3=C2NC4=CC=CC=C34	WUOUVVQREBRKTE-ZHACJKMWSA-N
DG61742	2-(2-nitrovinyl)-1H-indole	5382764	"NSC150982; 2-(2-nitrovinyl)-1H-indole; 14255-18-6; MLS000766159; 2-(2-(Hydroxy(oxido)amino)vinyl)-1H-indole; NSC-150982; 2-[(E)-2-nitroethenyl]-1H-indole; NSC 150982; beta-(2-nitrovinyl)indole; CHEMBL1981840; SCHEMBL14286181; HMS2886G24; ZINC1761642; 2-[(E)-2-nitrovinyl]-1H-indole; CCG-38145; NCI150982; 1H-Indole, 2-[(E)-2-nitroethenyl]-; SMR000528635"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150982	.	.	.	.	188.18	C10H8N2O2	61.6	247	2.4	14	1	2	1	"InChI=1S/C10H8N2O2/c13-12(14)6-5-9-7-8-3-1-2-4-10(8)11-9/h1-7,11H/b6-5+"	C1=CC=C2C(=C1)C=C(N2)/C=C/[N+](=O)[O-]	ZUQXVMIIRIIGTQ-AATRIKPKSA-N
DG61743	"Hydrazinecarbothioamide, 2-(1-isoquinolinylmethylene)-"	5383288	"Hydrazinecarbothioamide, 2-(1-isoquinolinylmethylene)-; EB-VII-93; Isoquinoline-1-formyl thiosemicarbazone; MLS002695100; 2-(Isoquinolin-1-ylmethylene)hydrazinecarbothioamide; (E)-2-(Isoquinolin-1-ylmethylene)hydrazinecarbothioamide; CHEMBL1965297; SCHEMBL13927328; 61043-12-7; NSC92188; ZINC4921231; NSC-92188"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92188	.	.	.	.	230.29	C11H10N4S	95.4	279	1.7	16	2	3	2	"InChI=1S/C11H10N4S/c12-11(16)15-14-7-10-9-4-2-1-3-8(9)5-6-13-10/h1-7H,(H3,12,15,16)/b14-7+"	C1=CC=C2C(=C1)C=CN=C2/C=N/NC(=S)N	FQWITMQQUMTMRE-VGOFMYFVSA-N
DG61744	alpha-Bromochalcone	5383396	"alpha-bromochalcone; 6935-75-7; WLN: RVYEU1R; MLS002639443; Chalcone, .alpha.-bromo-; NSC32212; .alpha.-Bromochalcone; 1,3-Diphenyl-2-bromo-2-propene-1-one; SCHEMBL981421; AMY25170; ZINC4769321; NSC-32212; NSC167201; NSC-167201; 32147-20-9; (Z)-1,3-Diphenyl-2-bromo-2-propene-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32212	.	.	.	.	287.15	C15H11BrO	17.1	283	4.6	17	0	1	3	InChI=1S/C15H11BrO/c16-14(11-12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-11H/b14-11-	C1=CC=C(C=C1)/C=C(/C(=O)C2=CC=CC=C2)\\Br	KRLKFHWRCHJJGA-KAMYIIQDSA-N
DG61745	"5,6-dichloro-2-(3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-b]pyrazine"	5383615	"NSC177407; MLS000756401; NSC-177407; 58885-11-3; SMR000528714; 5,6-dichloro-2-(3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-b]pyrazine; 5,6-dichloro-2-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyrazine; NCIStruc1_001989; NCIStruc2_001360; SCHEMBL2681339; CHEMBL1324032; SCHEMBL23483909; BDBM58102; cid_5383615; DTXSID10419402; REGID_for_CID_5383615; CCG-37142; NCGC00014517; NCI177407; ZINC22912013; NCGC00014517-02; NCGC00014517-03; NCGC00097621-01; NCGC00097621-02; NCI60_001485; DS-008871; 5,6-bis(chloranyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyrazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	177407	.	.	.	.	333.09	C12H5Cl2F3N4	54.5	384	4.5	21	1	6	1	"InChI=1S/C12H5Cl2F3N4/c13-7-8(14)19-11-10(18-7)20-9(21-11)5-2-1-3-6(4-5)12(15,16)17/h1-4H,(H,18,19,20,21)"	C1=CC(=CC(=C1)C(F)(F)F)C2=NC3=C(N2)N=C(C(=N3)Cl)Cl	BRODSJBKQDYMJU-UHFFFAOYSA-N
DG61746	"(6aR,8E)-8-ethylidene-3-hydroxy-2,6-dimethoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one"	5383620	"Tomaymycin; NSC177499; (6aR,8E)-8-ethylidene-3-hydroxy-2,6-dimethoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one; 35050-55-6; NSC-177499; WLN: T C576 BVN EY IMTT&J EU2 HO1 LQ MO1; 5H-Pyrrolo[2,4]benzodiazepin-5-one, 2-ethylidene-1,2, 3,10,11,11a-hexahydro-8-hydroxy-7,11-dimethoxy-, (11R-(2E,11.alpha.,11a.beta.))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	177499	.	.	.	.	304.34	C16H20N2O4	71	467	1.4	22	2	5	2	"InChI=1S/C16H20N2O4/c1-4-9-5-12-15(22-3)17-11-7-13(19)14(21-2)6-10(11)16(20)18(12)8-9/h4,6-7,12,15,17,19H,5,8H2,1-3H3/b9-4+/t12-,15 /m1/s1"	C/C=C/1\\C[C@@H]2C(NC3=CC(=C(C=C3C(=O)N2C1)OC)O)OC	UQVNRKBFAXNOGA-HRZZMDIGSA-N
DG61747	ethyl 5-[(E)-2-ethoxycarbonylvinyl]-1H-pyrrole-2-carboxylate	5383641	MLS003106901; NSC177989; SCHEMBL3595574; CHEMBL4296994; ZINC1725236; NSC-177989; ethyl 5-[(E)-2-ethoxycarbonylvinyl]-1H-pyrrole-2-carboxyate; ethyl 5-[(E)-2-ethoxycarbonylvinyl]-1H-pyrrole-2-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	177989	.	.	.	.	237.25	C12H15NO4	68.4	301	1.9	17	1	4	7	"InChI=1S/C12H15NO4/c1-3-16-11(14)8-6-9-5-7-10(13-9)12(15)17-4-2/h5-8,13H,3-4H2,1-2H3/b8-6+"	CCOC(=O)/C=C/C1=CC=C(N1)C(=O)OCC	AAJYCHBLTARBTA-SOFGYWHQSA-N
DG61748	"5,6-dichloro-2-hexyl-1H-imidazo[4,5-b]pyrazine"	5383666	MLS003106917; NSC179496; CHEMBL1889153; ZINC5782993; NSC-179496; SMR001821802	.	.	Investigative Drug(s)	Investigative	Small molecular drug	179496	.	.	.	.	273.16	C11H14Cl2N4	54.5	242	4.8	17	1	3	5	"InChI=1S/C11H14Cl2N4/c1-2-3-4-5-6-7-14-10-11(15-7)17-9(13)8(12)16-10/h2-6H2,1H3,(H,14,15,16,17)"	CCCCCCC1=NC2=C(N1)N=C(C(=N2)Cl)Cl	DGRVRFOVCINONF-UHFFFAOYSA-N
DG61749	CID 5383837	5383837	NSC201239; CHEMBL1976088; NSC-201239	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201239	.	.	.	.	364.27	C14H12N4O8	191	329	.	26	6	8	4	"InChI=1S/2C7H6N2O4/c2*10-5(11)2-1-4-3-8-7(13)9-6(4)12/h2*1-3H,(H,10,11)(H2,8,9,12,13)/b2*2-1+"	C1=C(C(=O)NC(=O)N1)/C=C/C(=O)O.C1=C(C(=O)NC(=O)N1)/C=C/C(=O)O	PAOPLHAUUGWSCN-MAZDBSFSSA-N
DG61750	"methyl 3-butylsulfanyl-2-[[(E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoyl]amino]propanoate"	5383838	NSC201241; CHEMBL1971189; NSC-201241	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201241	.	.	.	.	369.4	C16H23N3O5S	139	601	1	25	3	6	10	"InChI=1S/C16H23N3O5S/c1-4-5-8-25-9-12(15(22)24-3)18-13(20)7-6-11-10(2)17-16(23)19-14(11)21/h6-7,12H,4-5,8-9H2,1-3H3,(H,18,20)(H2,17,19,21,23)/b7-6+"	CCCCSCC(C(=O)OC)NC(=O)/C=C/C1=C(NC(=O)NC1=O)C	DMGBMAFCALOMMR-VOTSOKGWSA-N
DG61751	"(E)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid"	5384034	NSC303607; NSC-303607; CHEMBL1336185; CCG-37843; NCGC00014678; NCI303607; ZINC13099496; NCGC00014678-02; NCGC00097781-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	303607	.	.	.	.	238.71	C13H15ClO2	37.3	286	4.2	16	1	2	3	"InChI=1S/C13H15ClO2/c1-9(13(2,3)12(15)16)8-10-4-6-11(14)7-5-10/h4-8H,1-3H3,(H,15,16)/b9-8+"	C/C(=C\\C1=CC=C(C=C1)Cl)/C(C)(C)C(=O)O	ZUJSAJQUBXASPX-CMDGGOBGSA-N
DG61752	Acetylrolandrolide	5384465	ACETYLROLANDROLIDE; NSC335663; CHEMBL1983470; NSC-335663	.	.	Investigative Drug(s)	Investigative	Small molecular drug	335663	.	.	.	.	448.5	C23H28O9	125	937	1	32	1	9	8	"InChI=1S/C23H28O9/c1-12(2)21(26)31-18-8-13(3)7-16(30-15(5)25)9-23(6,28)10-19-20(18)17(22(27)32-19)11-29-14(4)24/h7,10,16,18,28H,1,8-9,11H2,2-6H3/b13-7-,19-10+/t16-,18+,23-/m0/s1"	C/C/1=C/[C@@H](C[C@](/C=C/2\\C(=C(C(=O)O2)COC(=O)C)[C@@H](C1)OC(=O)C(=C)C)(C)O)OC(=O)C	SBZYIOCHWBZFIG-FHIRRPESSA-N
DG61753	Heliangolide	5384466	HELIANGOLIDE; NSC335753; CHEMBL1987954; NSC-335753	.	.	Investigative Drug(s)	Investigative	Small molecular drug	335753	.	.	.	.	358.4	C20H22O6	78.9	799	2.4	26	0	6	3	"InChI=1S/C20H22O6/c1-6-10(2)18(22)25-15-9-20(5)16(21)8-13(26-20)11(3)7-14-17(15)12(4)19(23)24-14/h6-8,14-15,17H,4,9H2,1-3,5H3/b10-6-,11-7-/t14-,15+,17 ,20+/m0/s1"	C/C=C(/C)\\C(=O)O[C@@H]1C[C@@]2(C(=O)C=C(O2)/C(=C\\[C@H]3C1C(=C)C(=O)O3)/C)C	QATUWZPYBIHFFR-VZDUCZRCSA-N
DG61754	"Phorbol, diacetyl-12-octadienoyl-4-deoxy-"	5384537	"NSC339875; PHORBOL, DIACETYL-12-OCTADIENOYL-4-DEOXY-; CHEMBL2004603; NSC-339875; 2,9-cd]pyrazol-6(2H)-one, 5-[[2-(diethylamino)ethyl]amino]-2-[2-[(2-hydroxyethyl)amino]ethyl]-, dihydrochloride',3':3,4]pyrrolo[1,2-a]indol-6-yl]amino]-, [1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-2-onechloride (1:1))-idenosyl]-, (E)-e (1:1)er9)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339875	.	.	.	.	554.7	C32H42O8	116	1210	4.1	40	1	8	11	"InChI=1S/C32H42O8/c1-8-9-10-11-12-13-26(35)39-29-19(3)31(37)24-14-18(2)27(36)23(24)15-22(17-38-20(4)33)16-25(31)28-30(6,7)32(28,29)40-21(5)34/h10-14,16,19,23-25,28-29,37H,8-9,15,17H2,1-7H3/b11-10+,13-12-/t19-,23+,24-,25+,28-,29-,31+,32-/m1/s1"	CCC/C=C/C=C\\C(=O)O[C@@H]1[C@H]([C@@]2([C@@H]3C=C(C(=O)[C@H]3CC(=C[C@H]2[C@H]4[C@@]1(C4(C)C)OC(=O)C)COC(=O)C)C)O)C	AQNPLFNMZANJHM-YJAFVAKHSA-N
DG61755	"(2Z,4E,6E,12E)-16,20-dihydroxy-21-methoxy-3-methyl-10-phenyl-9-azabicyclo[17.3.0]docosa-2,4,6,12,19-pentaene-8,18-dione"	5384563	Hitachimycin; NSC343256	.	.	Investigative Drug(s)	Investigative	Small molecular drug	343256	.	.	.	.	477.6	C29H35NO5	95.9	891	4	35	3	5	2	"InChI=1S/C29H35NO5/c1-20-11-9-10-16-27(33)30-24(21-12-5-3-6-13-21)15-8-4-7-14-23(31)19-25(32)28-22(17-20)18-26(35-2)29(28)34/h3-6,8-13,16-17,22-24,26,31,34H,7,14-15,18-19H2,1-2H3,(H,30,33)/b8-4+,11-9+,16-10+,20-17-"	C/C/1=C/C2CC(C(=C2C(=O)CC(CC/C=C/CC(NC(=O)/C=C\\C=C1)C3=CC=CC=C3)O)O)OC	PLQKHNPZPRTISL-ITRAFUHISA-N
DG61756	2-Phenyl-4-[(E)-1-phenylethylidene]oxazol-5(4H)-one	5384656	57427-91-5; AC1NTNKE; SCHEMBL7581232; CHEMBL1988434; DTXSID10419563; NSC351965; ZINC17139194; NSC-351965; 2-Phenyl-4-[(E)-1-phenylethylidene]oxazol-5(4H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	351965	.	.	.	.	263.29	C17H13NO2	38.7	438	4.2	20	0	3	2	"InChI=1S/C17H13NO2/c1-12(13-8-4-2-5-9-13)15-17(19)20-16(18-15)14-10-6-3-7-11-14/h2-11H,1H3/b15-12+"	C/C(=C\\1/C(=O)OC(=N1)C2=CC=CC=C2)/C3=CC=CC=C3	TYPJAOYNIKQSCQ-NTCAYCPXSA-N
DG61757	Elsamicin	5384876	"Elsamicin; Chartreusin analog; NSC369327; CHEMBL1974153; BCP21156; NCI60_003404; [3-(3-amino-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-hydroxy-methyl-[ ]dione; Benzo[g][2]benzopyrano[5,4,3-cde][2]benzopyran-5,12-dione, 10-[[2-O-(2-amino-2,6-dideoxy-3-O-methylhexopyranosyl)-6-deoxy-3-C-methylhexopyranosyl]oxy]-6-hydroxy-1-methyl-; Benzo[h][1]benzopyrano[5,3-cde][1]benzopyran-5,12-dione, 10-[[2-O-(2-amino-2,6-dideoxy-3-O-methyl-.alpha.-D- galactopyranosyl)-6-deoxy-3-C-methyl-.beta.-D- galactopyranosyl]oxy]-6-hydroxy-1-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	369327	.	.	.	.	653.6	C33H35NO13	206	1210	2	47	5	14	5	"InChI=1S/C33H35NO13/c1-11-9-10-16-19-17(11)29(38)46-25-18-14(24(36)21(20(19)25)30(39)44-16)7-6-8-15(18)45-32-28(33(4,40)27(37)13(3)43-32)47-31-22(34)26(41-5)23(35)12(2)42-31/h6-10,12-13,22-23,26-28,31-32,35-37,40H,34H2,1-5H3"	CC1C(C(C(C(O1)OC2C(OC(C(C2(C)O)O)C)OC3=CC=CC4=C3C5=C6C7=C(C=CC(=C7C(=O)O5)C)OC(=O)C6=C4O)N)OC)O	MGQRRMONVLMKJL-UHFFFAOYSA-N
DG61758	"(E)-3'-Hydroxy-3,5,4'-trimethoxystilbene"	5385086	"108957-73-9; (E)-3'-Hydroxy-3,5,4'-trimethoxystilbene; NSC-381864; 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol; CHEMBL419378; 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxy-phenol; 4,3',5'-Tri-O-methylpiceatannol; NSC381864; (E) -3'-hydroxy-3,5,4'-Trimethoxystilbene; SCHEMBL1743353; SCHEMBL1743354; (E)-5-(2-(3,5-Dimethoxyphenyl)ethenyl)-2-methoxyphenol; ZINC1591410; BDBM50332182; 4,3'',5''-tri-O-methylpiceatannol; AKOS015914978; (E)-3',4,5'-Trimethoxystilbene-3-ol; AC-24233; PICEATANNOL,3',5'-TRIMETHYL,1S0; (Z)-5-(3,5-dimethoxystyryl)-2-methoxyphenol; (E)-5-(3,5 -dimethoxystyryl) -2-methoxy phenol; A801947; 5-(2-(3,5-Dimethoxyphenyl)vinyl)-2-methoxyphenol; 5-[2-(3,5-Dimethoxy-phenyl)-vinyl]-2-methoxy-phenol; 1,3-dimethoxy-5-[(E)-3-hydroxy-4-methoxy-styryl]benzene; 5-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-2-methoxy-phenol; Phenol, 5-(2-(3,5-dimethoxyphenyl)ethenyl)-2-methoxy-, (E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	381864	.	.	.	.	286.32	C17H18O4	47.9	319	3.8	21	1	4	5	"InChI=1S/C17H18O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-17(21-3)16(18)10-12/h4-11,18H,1-3H3/b5-4+"	COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)OC)OC)O	UQIWTPQGJCCTPA-SNAWJCMRSA-N
DG61759	NSC381866	5385089	"(3Z,5E,11E,13E)-16-[4-(2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one; bafilomycin A1; (3Z,5E,11E,13E)-16-[4-(2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one; 88899-55-2; NSC381866; BAFILOMYCIN DERIV.; CHEMBL1997889; BS-1172; NSC-381866"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	381866	.	.	.	.	622.8	C35H58O9	135	1060	6	44	4	9	7	"InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-"	CC1C/C(=C/C=C/C(C(OC(=O)/C(=C/C(=C/C(C1O)C)/C)/OC)C(C)C(C(C)C2(CC(C(C(O2)C(C)C)C)O)O)O)OC)/C	XDHNQDDQEHDUTM-YJSQNSDISA-N
DG61760	Apigenin 7-O-beta-D-glucoside	5385553	"NSC407303; Apigenin 7-beta-D-glucoside; Apigenin 7-O-glucoside; Apigenin-7-O-glucoside; Anthemoside; Oprea1_225308; SCHEMBL12014216; Apigenin 7-O-.beta.-D-glucoside; 7-O-(.beta.-D-Glucosyl)apigenin; STL451018; Apigenin, 7-.beta.-D-glucopyranoside; Apigenin 7-O-.beta.-D-glucopyranoside; APIGENIN, 7-B-D-GLYCOPYRANOSIDE; LS-14856; NCI60_003873; FT-0622446; 4',5,7-Trihydroxyflavone 7-.beta.-D-glucoside; 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl hexopyranoside; 4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407303	.	.	.	.	432.4	C21H20O10	166	675	-0.1	31	6	10	4	"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2"	C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O	KMOUJOKENFFTPU-UHFFFAOYSA-N
DG61761	NSC606698	5386303	"[(1S,16E,24E,26E,28Z)-1-hydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-18-yl] 2-(dimethylamino)acetate;methanesulfonic acid; NSC606698"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606698	.	.	.	.	1095.4	C56H90N2O17S	268	2040	.	76	3	18	10	"InChI=1S/C55H86N2O14.CH4O3S/c1-33-18-14-13-15-19-34(2)45(66-10)30-41-23-21-39(7)55(65,71-41)52(62)53(63)57-25-17-16-20-42(57)54(64)69-46(36(4)28-40-22-24-43(58)47(29-40)67-11)31-44(59)35(3)27-38(6)50(70-48(60)32-56(8)9)51(68-12)49(61)37(5)26-33;1-5(2,3)4/h13-15,18-19,27,33,35-37,39-43,45-47,50-51,58,65H,16-17,20-26,28-32H2,1-12H3;1H3,(H,2,3,4)/b15-13+,18-14+,34-19-,38-27+;/t33 ,35 ,36 ,37 ,39 ,40 ,41 ,42 ,43 ,45 ,46 ,47 ,50 ,51 ,55-;/m0./s1"	CC1CCC2CC(/C(=C\\C=C\\C=C\\C(CC(C(=O)C(C(/C(=C/C(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)[C@]1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)/C)OC(=O)CN(C)C)OC)C)C)/C)OC.CS(=O)(=O)O	XVNMRKHCSMPLOF-ZYNBRPEESA-N
DG61762	NSC606699	5386305	"[(1S,16E,24E,26E,28Z)-1-hydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-18-yl] 3-(diethylamino)propanoate;hydrochloride; NSC606699"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606699	.	.	.	.	1077.8	C58H93ClN2O14	205	2000	.	75	3	15	13	"InChI=1S/C58H92N2O14.ClH/c1-13-59(14-2)29-27-51(63)73-53-41(8)31-38(5)47(62)35-49(39(6)32-43-24-26-46(61)50(33-43)70-11)72-57(67)45-22-18-19-28-60(45)56(66)55(65)58(68)42(9)23-25-44(74-58)34-48(69-10)37(4)21-17-15-16-20-36(3)30-40(7)52(64)54(53)71-12;/h15-17,20-21,31,36,38-40,42-46,48-50,53-54,61,68H,13-14,18-19,22-30,32-35H2,1-12H3;1H/b17-15+,20-16+,37-21-,41-31+;/t36 ,38 ,39 ,40 ,42 ,43 ,44 ,45 ,46 ,48 ,49 ,50 ,53 ,54 ,58-;/m0./s1"	CCN(CC)CCC(=O)OC\\1C(C(=O)C(CC(/C=C/C=C/C=C(\\C(CC2CCC([C@](O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(CC(=O)C(/C=C1\\C)C)C(C)CC4CCC(C(C4)OC)O)O)C)OC)/C)C)C)OC.Cl	STJJEEPKSPHFGU-OORJEIGJSA-N
DG61763	E-Combretastatin A-4	5386397	"Trans-Combretastatin A-4; E-Combretastatin A-4; CHEMBL36455; NSC609397; NSC613729; 2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]phenol; 2-methoxy-5-(3,4,5-trimethoxystyryl)phenol; trans-(E)-Combretastatin; 2-Methoxy-5-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenol; From Combretum caffrum plant; SCHEMBL18946; SCHEMBL9707931; 2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol; ZINC1611146; BDBM50009561; CCG-35662; CCG-36400; AKOS015915109; ND-2980; NSC-609397; B817373K328; 3',4,4',5'-Tetramethoxy-cis-stilbene-3-ol; (E)-5-(3,4,5-trimethoxystyryl)-2-methoxyphenol; A803704; J-003498; 2-Methoxy-5-(2-(3,4,5-trimethoxyphenyl)vinyl)phenol; 2-Methoxy-5-[(E)-2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenol; trans-2-Methoxy-5-[(Z)-2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	609397	.	.	.	.	316.3	C18H20O5	57.2	358	3.7	23	1	5	6	"InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5+"	COC1=C(C=C(C=C1)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)O	HVXBOLULGPECHP-AATRIKPKSA-N
DG61764	"3-Hydroxy-1,10-dimethylacridin-9-one"	5386484	NSC611701; CHEMBL1964323; ZINC5615378; NSC-611701; NCI60_004855	.	.	Investigative Drug(s)	Investigative	Small molecular drug	611701	.	.	.	.	239.27	C15H13NO2	40.5	343	3.1	18	1	3	0	"InChI=1S/C15H13NO2/c1-9-7-10(17)8-13-14(9)15(18)11-5-3-4-6-12(11)16(13)2/h3-8,17H,1-2H3"	CC1=CC(=CC2=C1C(=O)C3=CC=CC=C3N2C)O	VLBQIHNGBSEGKV-UHFFFAOYSA-N
DG61765	"[(3S,6S)-7-oxo-6-[[(E,2R)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl]amino]azepan-3-yl] tetradecanoate"	5386504	"Bengamide A; NSC613012; NSC-613012; D-gulo-Non-6-enonamide,7,8,9-tetradeoxy-N-[(3S,6S)-hexahydro-2-oxo- 6-[(1-oxotetradecyl)oxy]-1H-azepin-3-yl]-8-methyl-2-O-methyl-, (6E)-; D-gulo-Non-6-enonamide,7,8,9-tetradeoxy-N-[hexahydro-2-oxo- 6-[(1-oxotetradecyl)oxy]-1H-azepin-3-yl]- 8-methyl-2-O-methyl-, [1(3S,6S),6E]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	613012	.	.	.	.	584.8	C31H56N2O8	154	775	5.8	41	5	8	22	"InChI=1S/C31H56N2O8/c1-5-6-7-8-9-10-11-12-13-14-15-16-26(35)41-23-18-19-24(30(38)32-21-23)33-31(39)29(40-4)28(37)27(36)25(34)20-17-22(2)3/h17,20,22-25,27-29,34,36-37H,5-16,18-19,21H2,1-4H3,(H,32,38)(H,33,39)/b20-17+/t23-,24-,25 ,27 ,28 ,29+/m0/s1"	CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@H](C(=O)NC1)NC(=O)[C@@H](C(C(C(/C=C/C(C)C)O)O)O)OC	NKASPYGDXVCCTA-NRLSUAAVSA-N
DG61766	N-(3-hydroxystyryl)formamide	5386517	"N-(3-hydroxystyryl)formamide; MLS002701747; CHEMBL503768; Formamide, (E)-; NSC613467; SCHEMBL9321550; SCHEMBL9321558; BDBM50025487; ZINC12495753; NSC-613467; SMR001565343"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	613467	.	.	.	.	163.17	C9H9NO2	49.3	168	1.4	12	2	2	2	"InChI=1S/C9H9NO2/c11-7-10-5-4-8-2-1-3-9(12)6-8/h1-7,12H,(H,10,11)/b5-4+"	C1=CC(=CC(=C1)O)/C=C/NC=O	VWWNHOUXNGXHFN-SNAWJCMRSA-N
DG61767	"3-methoxy-6-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]benzene-1,2-diol"	5386543	NSC613752; CHEMBL465218; NSC-613752	.	.	Investigative Drug(s)	Investigative	Small molecular drug	613752	.	.	.	.	316.3	C17H16O6	77.4	414	3.2	23	2	6	4	"InChI=1S/C17H16O6/c1-20-12-6-5-11(15(18)16(12)19)4-3-10-7-13(21-2)17-14(8-10)22-9-23-17/h3-8,18-19H,9H2,1-2H3/b4-3-"	COC1=C(C(=C(C=C1)/C=C\\C2=CC3=C(C(=C2)OC)OCO3)O)O	ANCIATXUDFQEBC-ARJAWSKDSA-N
DG61768	"3,4,4',5-Tetramethoxy-3'-(tert-butyldimethylsiloxy)stilbene"	5386558	"NSC613777; CHEMBL1980687; ZINC195424273; NSC-613777; 3,4,4',5-Tetramethoxy-3'-(tert-butyldimethylsiloxy)stilbene; 1-Methoxy-2-(tert-butyldimethylsiloxy)-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene; tert-Butyl(2-methoxy-5-(2-(3,4,5-trimethoxyphenyl)vinyl)phenoxy)dimethylsilane; tert-butyl-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]phenoxy]-dimethyl-silane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	613777	.	.	.	.	430.6	C24H34O5Si	46.2	530	.	30	0	5	9	"InChI=1S/C24H34O5Si/c1-24(2,3)30(8,9)29-20-14-17(12-13-19(20)25-4)10-11-18-15-21(26-5)23(28-7)22(16-18)27-6/h10-16H,1-9H3/b11-10+"	CC(C)(C)[Si](C)(C)OC1=C(C=CC(=C1)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)OC	UMDKFDJQYNOPRV-ZHACJKMWSA-N
DG61769	Ajoene	5386591	"Ajoene; (E)-Ajoene; 92285-01-3; 92284-99-6; NSC614554; NSC-614554; CHEMBL122890; CHEBI:80708; (E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene; Disulfide, 2-propen-1-yl (1E)-3-(2-propen-1-ylsulfinyl)-1-propen-1-yl; Disulfide, 2-propenyl 3-(2-propenylsulfinyl)-1-propenyl; Ajoene (not validated); 4,5,9-Trithiadodeca-1,6,11-triene 9-oxide; E/Z Ajoene (~20per cent in Ethyl Acetate); trans-Ajoene; E-Ajoene; Disulfide, 2-propen-1-yl [3-(2-propen-1-ylsulfinyl)-1-propen-1-yl]; Ajoene, (E)-; NSC 614554; Ajoene, trans-; 2-Propenyl-3-(2-propenylsulfinyl)-1-propenyl disulfide; SCHEMBL465526; Disulfide, 2-propenyl (1E)-3-(2-propenylsulfinyl)-1-propenyl; Disulfide, 2-propenyl 3-(2-propenylsulfinyl)-1-propenyl, (E)-; BDBM50240785; HY-106784; CS-0026551; Q338762; (E)-1-(allyldisulfanyl)-3-allylsulfinyl-prop-1-ene; (e,z)-4,5,9-trithiadodeca-1,6,11-triene 9-oxide; (E)-1-allyl-2-(3-(allylsulfinyl)prop-1-enyl)disulfane; (E)-1-Allyldisulfanyl-3-(prop-2-ene-1-sulfinyl)-propene; 2-Propen-1-yl[3-(2-propen-1-ylsulfinyl)-1-propen-1-yl] disulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614554	.	.	.	.	234.4	C9H14OS3	86.9	199	1.7	13	0	4	8	"InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+"	C=CCSS/C=C/CS(=O)CC=C	IXELFRRANAOWSF-FNORWQNLSA-N
DG61770	"(Z)-3,3',4,4',5-Pentamethoxystilbene"	5386627	"CHEMBL1976813; SCHEMBL12855359; NSC615258; B817373K389 from Combetum caffrum; NSC-615258; (Z)-3,3',4,4',5-Pentamethoxystilbene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615258	.	.	.	.	330.4	C19H22O5	46.2	372	4	24	0	5	7	"InChI=1S/C19H22O5/c1-20-15-9-8-13(10-16(15)21-2)6-7-14-11-17(22-3)19(24-5)18(12-14)23-4/h6-12H,1-5H3/b7-6-"	COC1=C(C=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC)OC	KMCRDRIVRPRGHU-SREVYHEPSA-N
DG61771	"1,3-Dihydroxy-10-methyl-7-nitro-acridin-9-one"	5386678	"NSC615534; CHEMBL1979952; NSC-615534; NCI60_004987; 1,3-dihydroxy-10-methyl-7-nitro-acridin-9-one; 1,3-Dihydroxy-7-(hydroxy(oxido)amino)-10-methyl-9(10H)-acridinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615534	.	.	.	.	286.24	C14H10N2O5	107	451	2.8	21	2	6	0	"InChI=1S/C14H10N2O5/c1-15-10-3-2-7(16(20)21)4-9(10)14(19)13-11(15)5-8(17)6-12(13)18/h2-6,17-18H,1H3"	CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=C1C=C(C=C3O)O	CYBLUKVSMNILGW-UHFFFAOYSA-N
DG61772	5-methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole	5386680	NSC615606; CHEMBL1966940; NSC-615606	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615606	.	.	.	.	264.32	C17H16N2O	37.9	349	3.8	20	1	2	3	"InChI=1S/C17H16N2O/c1-12(13-5-7-18-8-6-13)9-14-11-19-17-4-3-15(20-2)10-16(14)17/h3-11,19H,1-2H3/b12-9-"	C/C(=C/C1=CNC2=C1C=C(C=C2)OC)/C3=CC=NC=C3	SNVHSFVDDWBOPU-XFXZXTDPSA-N
DG61773	"benzyl N-[(5S)-6-[(E)-5-(1,3-dioxolan-2-yl)-3-oxopent-1-enyl]-5-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-yl]carbamate"	5386713	NSC617309; NSC-617309	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617309	.	.	.	.	473.6	C26H35NO7	92.3	668	2.7	34	1	7	14	"InChI=1S/C26H35NO7/c1-30-19-31-15-14-21-8-5-9-24(27-26(29)34-18-20-6-3-2-4-7-20)23(21)12-10-22(28)11-13-25-32-16-17-33-25/h2-7,9-10,12,21,23-25H,8,11,13-19H2,1H3,(H,27,29)/b12-10+/t21-,23 ,24 /m0/s1"	COCOCC[C@@H]1CC=CC(C1/C=C/C(=O)CCC2OCCO2)NC(=O)OCC3=CC=CC=C3	GQVNYDKGIZIGQZ-HAVUTTILSA-N
DG61774	1-tert-Butyl 5-methyl 4-((phenylthio)methylene)-2-pentenedioate	5386766	"NSC617603; 2-Pentenedioic acid,; CHEMBL1991227; NSC-617603; 1, (Z, E); 1, 1-dimethylethyl methyl diester, (Z, E); 2-Pentenedioic acid, {4-[(phenylthio)methylene]-,}; 1-tert-Butyl 5-methyl 4-((phenylthio)methylene)-2-pentenedioate; O1-tert-butyl O5-methyl (E,4Z)-4-(phenylsulfanylmethylene)pent-2-enedioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617603	.	.	.	.	320.4	C17H20O4S	77.9	440	3.7	22	0	5	8	"InChI=1S/C17H20O4S/c1-17(2,3)21-15(18)11-10-13(16(19)20-4)12-22-14-8-6-5-7-9-14/h5-12H,1-4H3/b11-10+,13-12-"	CC(C)(C)OC(=O)/C=C/C(=C/SC1=CC=CC=C1)/C(=O)OC	YXGNXJVHYJIRTR-MRBUWEIXSA-N
DG61775	"5-(Dimethoxymethyl)-6-(2-methoxyvinyl)-1,3-benzodioxole"	5386778	"NSC617640; CHEMBL1982124; NSC-617640; 5-(Dimethoxymethyl)-6-(2-methoxyvinyl)-1,3-benzodioxole; 5-(dimethoxymethyl)-6-[(E)-2-methoxyvinyl]-1,3-benzodioxole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617640	.	.	.	.	252.26	C13H16O5	46.2	277	1.8	18	0	5	5	"InChI=1S/C13H16O5/c1-14-5-4-9-6-11-12(18-8-17-11)7-10(9)13(15-2)16-3/h4-7,13H,8H2,1-3H3/b5-4+"	CO/C=C/C1=CC2=C(C=C1C(OC)OC)OCO2	JDDUFNBYIHNLAO-SNAWJCMRSA-N
DG61776	"4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxo-2-butenoic acid"	5386793	"NSC617768; CHEMBL2000958; NSC-617768; 4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxo-2-butenoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617768	.	.	.	.	373.4	C23H19NO4	74.7	651	2.9	28	1	4	4	"InChI=1S/C23H19NO4/c25-21(11-12-22(26)27)24-15-19(13-17-7-3-1-4-8-17)23(28)20(16-24)14-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,26,27)/b12-11+,19-13+,20-14+"	C\\1N(C/C(=C\\C2=CC=CC=C2)/C(=O)/C1=C/C3=CC=CC=C3)C(=O)/C=C/C(=O)O	KGFHMFSOQMFJEI-KOJGVXFKSA-N
DG61777	(E)-2-methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride	5386794	CHEMBL543226; NSC617822; NSC-617822	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617822	.	.	.	.	295.8	C16H22ClNO2	29.5	313	.	20	1	3	5	"InChI=1S/C16H21NO2.ClH/c1-14(13-15-5-3-2-4-6-15)16(18)7-8-17-9-11-19-12-10-17;/h2-6,13H,7-12H2,1H3;1H/b14-13+;"	C/C(=C\\C1=CC=CC=C1)/C(=O)CCN2CCOCC2.Cl	RYKXRRUMCTUJKO-IERUDJENSA-N
DG61778	"4-Morpholinepentanoic acid, ethyl ester, hydrochloride"	5386796	"MLS002701755; NSC617823; CHEMBL1875577; NSC-617823; SMR001565350; 4-Morpholinepentanoic acid, ethyl ester, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617823	.	.	.	.	353.8	C18H24ClNO4	55.8	421	.	24	1	5	8	"InChI=1S/C18H23NO4.ClH/c1-2-23-18(21)16(14-15-6-4-3-5-7-15)17(20)8-9-19-10-12-22-13-11-19;/h3-7,14H,2,8-13H2,1H3;1H/b16-14-;"	CCOC(=O)/C(=C\\C1=CC=CC=C1)/C(=O)CCN2CCOCC2.Cl	XLHSAXPAXFBULF-ULQCMBKMSA-N
DG61779	"(E)-5-morpholin-4-yl-1,2-diphenylpent-1-en-3-one;hydrochloride"	5386798	NSC617826; CHEMBL2000707; NSC-617826	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617826	.	.	.	.	357.9	C21H24ClNO2	29.5	414	.	25	1	3	6	"InChI=1S/C21H23NO2.ClH/c23-21(11-12-22-13-15-24-16-14-22)20(19-9-5-2-6-10-19)17-18-7-3-1-4-8-18;/h1-10,17H,11-16H2;1H/b20-17+;"	C1COCCN1CCC(=O)/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3.Cl	UKJTXTPJFUCSKO-SJEOTZHBSA-N
DG61780	"1-Penten-3-one, 5-(4-morpholinyl)-1-phenyl-, hydrochloride"	5386805	"MLS002702970; NSC618059; CHEMBL542969; SCHEMBL11197135; NSC-618059; 84175-27-9; SMR001566784; 1-Penten-3-one, 5-(4-morpholinyl)-1-phenyl-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618059	.	.	.	.	281.78	C15H20ClNO2	29.5	276	.	19	1	3	5	"InChI=1S/C15H19NO2.ClH/c17-15(7-6-14-4-2-1-3-5-14)8-9-16-10-12-18-13-11-16;/h1-7H,8-13H2;1H/b7-6+;"	C1COCCN1CCC(=O)/C=C/C2=CC=CC=C2.Cl	GWNLEXKNAOCIOV-UHDJGPCESA-N
DG61781	"(E)-3-chloro-3-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-enal"	5386811	NSC618115; CHEMBL2003705; ZINC1613539; NSC-618115	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618115	.	.	.	.	332.8	C18H17ClO4	44.8	415	3.8	23	0	4	6	"InChI=1S/C18H17ClO4/c1-21-14-7-4-12(5-8-14)15(11-20)18(19)13-6-9-16(22-2)17(10-13)23-3/h4-11H,1-3H3/b18-15-"	COC1=CC=C(C=C1)/C(=C(/C2=CC(=C(C=C2)OC)OC)\\Cl)/C=O	FZIJEPNWFRYEPN-SDXDJHTJSA-N
DG61782	"(E)-3-chloro-2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enal"	5386812	NSC618116; CHEMBL1983969; ZINC1613540; NSC-618116	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618116	.	.	.	.	337.2	C17H14Cl2O3	35.5	403	4.4	22	0	3	5	"InChI=1S/C17H14Cl2O3/c1-21-15-8-5-12(9-16(15)22-2)17(19)14(10-20)11-3-6-13(18)7-4-11/h3-10H,1-2H3/b17-14-"	COC1=C(C=C(C=C1)/C(=C(\\C=O)/C2=CC=C(C=C2)Cl)/Cl)OC	JCDLDJOVFDZXKD-VKAVYKQESA-N
DG61783	(E)-3-chloro-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enal	5386813	NSC618120; CHEMBL2006601; ZINC1613544; NSC-618120	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618120	.	.	.	.	307.2	C16H12Cl2O2	26.3	352	4.5	20	0	2	4	"InChI=1S/C16H12Cl2O2/c1-20-14-8-4-12(5-9-14)16(18)15(10-19)11-2-6-13(17)7-3-11/h2-10H,1H3/b16-15-"	COC1=CC=C(C=C1)/C(=C(\\C=O)/C2=CC=C(C=C2)Cl)/Cl	IPXFLQLMWRYNPK-NXVVXOECSA-N
DG61784	"ethyl 2-[2-[(E)-1-chloro-2-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-4,5-dimethoxyphenyl]acetate"	5386814	NSC618123; CHEMBL2002211; ZINC1613547; NSC-618123	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618123	.	.	.	.	448.9	C23H25ClO7	80.3	623	3.9	31	0	7	11	"InChI=1S/C23H25ClO7/c1-6-31-22(26)11-15-10-20(29-4)21(30-5)12-16(15)23(24)17(13-25)14-7-8-18(27-2)19(9-14)28-3/h7-10,12-13H,6,11H2,1-5H3/b23-17-"	CCOC(=O)CC1=CC(=C(C=C1/C(=C(\\C=O)/C2=CC(=C(C=C2)OC)OC)/Cl)OC)OC	QOKNXDZIVXHEOQ-QJOMJCCJSA-N
DG61785	2-[(E)-4-chlorobut-2-enoxy]oxane	5386823	NSC618229; SCHEMBL6840614; CHEMBL1985434; NSC-618229	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618229	.	.	.	.	190.67	C9H15ClO2	18.5	137	1.8	12	0	2	4	"InChI=1S/C9H15ClO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h2,4,9H,1,3,5-8H2/b4-2+"	C1CCOC(C1)OC/C=C/CCl	MEQZNJKQSDWFHR-DUXPYHPUSA-N
DG61786	"4,4,11,11-tetramethyl-8-[(E)-2-nitroethenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane"	5386824	NSC618262; CHEMBL1964579; NSC-618262	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618262	.	.	.	.	301.29	C13H19NO7	92	470	0.8	21	0	7	1	"InChI=1S/C13H19NO7/c1-12(2)18-8-7(5-6-14(15)16)17-11-10(9(8)19-12)20-13(3,4)21-11/h5-11H,1-4H3/b6-5+"	CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)/C=C/[N+](=O)[O-])C	PDOCTJUENKPCLN-AATRIKPKSA-N
DG61787	NSC618403	5386833	N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide; NSC618403; CHEMBL2005933; ZINC82185136; NSC-618403	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618403	.	.	.	.	642.7	C41H34N6O2	116	1210	8	49	4	4	8	"InChI=1S/C41H34N6O2/c1-25-14-18-32-34(20-25)44-38(42-32)36(46-40(48)29-10-6-4-7-11-29)23-28-16-17-31(27(3)22-28)24-37(47-41(49)30-12-8-5-9-13-30)39-43-33-19-15-26(2)21-35(33)45-39/h4-24H,1-3H3,(H,42,44)(H,43,45)(H,46,48)(H,47,49)/b36-23-,37-24-"	CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=C(C=C3)/C=C(/C4=NC5=C(N4)C=C(C=C5)C)\\NC(=O)C6=CC=CC=C6)C)/NC(=O)C7=CC=CC=C7	HVLDVXZJLFFUDN-IEXCSMOPSA-N
DG61788	NSC618619	5386905	"N-[(Z)-2-[2-[(Z)-2-acetamido-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]acetamide; NSC618619; CHEMBL1978999; NSC-618619"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618619	.	.	.	.	532.6	C32H32N6O2	116	918	5.1	40	4	4	6	"InChI=1S/C32H32N6O2/c1-17-11-25-26(12-18(17)2)36-31(35-25)29(33-21(5)39)15-23-9-7-8-10-24(23)16-30(34-22(6)40)32-37-27-13-19(3)20(4)14-28(27)38-32/h7-16H,1-6H3,(H,33,39)(H,34,40)(H,35,36)(H,37,38)/b29-15-,30-16-"	CC1=CC2=C(N=C(N2)/C(=C/C3=CC=CC=C3/C=C(\\NC(=O)C)/C4=NC5=C(N4)C=C(C(=C5)C)C)/NC(=O)C)C=C1C	SPLJNJTWZWEWQS-VHUXLRGGSA-N
DG61789	"N-(1-(1,3-Benzothiazol-2-YL)-2-(2,4-dichlorophenyl)vinyl)benzamide"	5386906	"NSC618621; CHEMBL2000384; ZINC5809116; AKOS024423266; NSC-618621; N-(1-(1,3-BENZOTHIAZOL-2-YL)-2-(2,4-DICHLOROPHENYL)VINYL)BENZAMIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618621	.	.	.	.	425.3	C22H14Cl2N2OS	70.2	581	6.6	28	1	3	4	"InChI=1S/C22H14Cl2N2OS/c23-16-11-10-15(17(24)13-16)12-19(25-21(27)14-6-2-1-3-7-14)22-26-18-8-4-5-9-20(18)28-22/h1-13H,(H,25,27)/b19-12+"	C1=CC=C(C=C1)C(=O)N/C(=C/C2=C(C=C(C=C2)Cl)Cl)/C3=NC4=CC=CC=C4S3	RGEMVGXMGBLKBI-XDHOZWIPSA-N
DG61790	"Piperidinium,5-bis[4-[(dimethylamino)phenyl]methylene]-1,1-dimethyl-4-oxo-, iodide"	5386914	"NSC618757; CHEMBL1980905; NSC-618757; 122864-73-7; (E, 3,5-bis{[4-(dimethylamino)phenyl]methylene}-1,1-dimethyl-4-oxo, iodide; Piperidinium,5-bis[4-[(dimethylamino)phenyl]methylene]-1,1- dimethyl-4-oxo-, iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618757	.	.	.	.	517.4	C25H32IN3O	23.6	579	.	30	0	4	4	"InChI=1S/C25H32N3O.HI/c1-26(2)23-11-7-19(8-12-23)15-21-17-28(5,6)18-22(25(21)29)16-20-9-13-24(14-10-20)27(3)4;/h7-16H,17-18H2,1-6H3;1H/q+1;/p-1/b21-15+,22-16+;"	CN(C1=CC=C(C=C1)/C=C\\2/C(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/C[N+](C2)(C)C)C.[I-]	JVOYGKMQZMEFBW-HYOXNGFTSA-M
DG61791	NSC618758	5386916	"(E)-5-(dimethylamino)-1-[4-[(E)-5-(dimethylamino)-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-4,4-dimethylpent-1-en-3-one;hydrobromide; NSC618758; CHEMBL1973538; NSC-618758"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618758	.	.	.	.	465.5	C24H37BrN2O2	40.6	525	.	29	1	4	10	"InChI=1S/C24H36N2O2.BrH/c1-23(2,17-25(5)6)21(27)15-13-19-9-11-20(12-10-19)14-16-22(28)24(3,4)18-26(7)8;/h9-16H,17-18H2,1-8H3;1H/b15-13+,16-14+;"	CC(C(=O)/C=C/C1=CC=C(C=C1)/C=C/C(=O)C(CN(C)C)(C)C)(CN(C)C)C.Br	LLCNJTVMQKSHEB-ACJWTMPUSA-N
DG61792	"(E)-1-[4-[(E)-4,4-dimethyl-3-oxo-5-piperidin-1-ylpent-1-enyl]phenyl]-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-one;hydrobromide"	5386918	"NSC618759; CHEMBL1996912; NSC-618759; 4-Penten-3-one,5'-(1,4-phenylenbis)bis[2,2-dimethyl- 1-piperidino-, (E,E)-, dihydrobromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618759	.	.	.	.	545.6	C30H45BrN2O2	40.6	654	.	35	1	4	10	"InChI=1S/C30H44N2O2.BrH/c1-29(2,23-31-19-7-5-8-20-31)27(33)17-15-25-11-13-26(14-12-25)16-18-28(34)30(3,4)24-32-21-9-6-10-22-32;/h11-18H,5-10,19-24H2,1-4H3;1H/b17-15+,18-16+;"	CC(C(=O)/C=C/C1=CC=C(C=C1)/C=C/C(=O)C(CN2CCCCC2)(C)C)(CN3CCCCC3)C.Br	CBFUQBRXHGADNJ-UZQGXGHZSA-N
DG61793	"(E)-1-[4-[(E)-4,4-dimethyl-5-morpholin-4-yl-3-oxopent-1-enyl]phenyl]-4,4-dimethyl-5-morpholin-4-ylpent-1-en-3-one;hydrobromide"	5386920	NSC618760; CHEMBL1978919; NSC-618760	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618760	.	.	.	.	549.5	C28H41BrN2O4	59.1	661	.	35	1	6	10	"InChI=1S/C28H40N2O4.BrH/c1-27(2,21-29-13-17-33-18-14-29)25(31)11-9-23-5-7-24(8-6-23)10-12-26(32)28(3,4)22-30-15-19-34-20-16-30;/h5-12H,13-22H2,1-4H3;1H/b11-9+,12-10+;"	CC(C(=O)/C=C/C1=CC=C(C=C1)/C=C/C(=O)C(CN2CCOCC2)(C)C)(CN3CCOCC3)C.Br	AWXBHZLZIQQFAX-NVUWAARKSA-N
DG61794	(E)-1-(diethylamino)-4-(4-methylphenyl)but-3-en-2-one;hydrobromide	5386925	NSC618763; CHEMBL1988965; NSC-618763	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618763	.	.	.	.	312.24	C15H22BrNO	20.3	248	.	18	1	2	6	"InChI=1S/C15H21NO.BrH/c1-4-16(5-2)12-15(17)11-10-14-8-6-13(3)7-9-14;/h6-11H,4-5,12H2,1-3H3;1H/b11-10+;"	CCN(CC)CC(=O)/C=C/C1=CC=C(C=C1)C.Br	WLOYBHAFQRLAPB-ASTDGNLGSA-N
DG61795	(E)-5-(dimethylamino)-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide	5386929	NSC618765; CHEMBL1993129; NSC-618765	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618765	.	.	.	.	298.22	C14H20BrNO	20.3	237	.	17	1	2	5	"InChI=1S/C14H19NO.BrH/c1-12-4-6-13(7-5-12)8-9-14(16)10-11-15(2)3;/h4-9H,10-11H2,1-3H3;1H/b9-8+;"	CC1=CC=C(C=C1)/C=C/C(=O)CCN(C)C.Br	RBJSQEDIEYVFCP-HRNDJLQDSA-N
DG61796	(E)-5-(diethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide	5386931	NSC618766; CHEMBL2005859; NSC-618766	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618766	.	.	.	.	340.3	C17H26BrNO	20.3	286	.	20	1	2	7	"InChI=1S/C17H25NO.BrH/c1-5-18(6-2)13-15(4)17(19)12-11-16-9-7-14(3)8-10-16;/h7-12,15H,5-6,13H2,1-4H3;1H/b12-11+;"	CCN(CC)CC(C)C(=O)/C=C/C1=CC=C(C=C1)C.Br	VHVQSYOUBOOKIY-CALJPSDSSA-N
DG61797	"(3E,5E)-3,5-dibenzylidene-1,1-dimethylpiperidin-1-ium-4-one;bromide"	5386935	NSC618768; CHEMBL1990671; NSC-618768	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618768	.	.	.	.	384.3	C21H22BrNO	17.1	446	.	24	0	2	2	"InChI=1S/C21H22NO.BrH/c1-22(2)15-19(13-17-9-5-3-6-10-17)21(23)20(16-22)14-18-11-7-4-8-12-18;/h3-14H,15-16H2,1-2H3;1H/q+1;/p-1/b19-13+,20-14+;"	C[N+]1(C/C(=C\\C2=CC=CC=C2)/C(=O)/C(=C/C3=CC=CC=C3)/C1)C.[Br-]	CGOPQMRJDUJOKV-WKLZLTIDSA-M
DG61798	"Piperidinium, (E,E)-, bromide"	5386939	"MLS002701763; SMR001565358; NSC618770; CHEMBL1724933; Piperidinium, (E,E)-, bromide; Piperidin-4-ol, (E,E)-, bromide; NSC-618770"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618770	.	.	.	.	456.4	C25H30BrNO2	37.3	571	.	29	1	3	6	"InChI=1S/C25H30NO2.BrH/c1-3-26(2)19-18-25(28,17-16-22-12-8-5-9-13-22)23(20-26)24(27)15-14-21-10-6-4-7-11-21;/h4-17,23,28H,3,18-20H2,1-2H3;1H/q+1;/p-1/b15-14+,17-16+;"	CC[N+]1(CCC(C(C1)C(=O)/C=C/C2=CC=CC=C2)(/C=C/C3=CC=CC=C3)O)C.[Br-]	USLKKRPHCVKRBA-OHAASFOQSA-M
DG61799	"4-Piperidinone,5-bis[[(4-methylthio)phenyl]methylene]-, hydrochloride"	5386952	"NSC618857; CHEMBL1991449; NSC-618857; 4-Piperidinone,5-bis[[(4-methylthio)phenyl]methylene]-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618857	.	.	.	.	404	C21H22ClNOS2	79.7	468	.	26	2	4	4	"InChI=1S/C21H21NOS2.ClH/c1-24-19-7-3-15(4-8-19)11-17-13-22-14-18(21(17)23)12-16-5-9-20(25-2)10-6-16;/h3-12,22H,13-14H2,1-2H3;1H/b17-11+,18-12+;"	CSC1=CC=C(C=C1)/C=C\\2/C(=O)/C(=C/C3=CC=C(C=C3)SC)/CNC2.Cl	KTDXEYZBMZLKEB-OYJDLGDISA-N
DG61800	"Gossypetin 3,8,3'-trimethyl ether"	5386961	"Gossypetin 3,8,3'-trimethyl ether; 14965-08-3; 5,7,4'-Trihydroxy-3,8,3'-trimethoxyflavone; 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,8-dimethoxychromen-4-one; NSC618932; NSC 618932; Flavone, 4',5,7-trihydroxy-3,3',8-trimethoxy-; MEGxp0_000612; CHEMBL1985918; DTXSID10933693; Gossypetin 3,3',8-trimethylether; LMPK12113245; NSC-618932; NCI60_005668; 3,3',8-Trimethoxy-4',5,7-trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,8-dimethoxy-4H-1-benzopyran-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618932	.	.	.	.	360.3	C18H16O8	115	561	2.8	26	3	8	4	"InChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)15-18(25-3)14(22)13-10(20)7-11(21)16(24-2)17(13)26-15/h4-7,19-21H,1-3H3"	COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC)O	XZGZRRSEIISPEP-UHFFFAOYSA-N
DG61801	"5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone"	5386962	"61451-85-2; 5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone; UNII-CA2ZC95Z9L; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxychromen-4-one; CA2ZC95Z9L; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxy-4H-1-benzopyran-4-one; NSC618933; NSC 618933; CHEMBL307373; DTXSID30977019; CHEBI:180430; LMPK12113330; NSC-618933; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxy-; NCI60_005669; 3'',4'',5,7-Tetrahydroxy 3,6,8-trimethoxyflavone; 3 inverted exclamation marka,4 inverted exclamation marka,5,7-Tetrahydroxy-3,6,8-trimethoxyflavone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618933	.	.	.	.	376.3	C18H16O9	135	591	2.4	27	4	9	4	"InChI=1S/C18H16O9/c1-24-16-11(21)10-12(22)17(25-2)14(7-4-5-8(19)9(20)6-7)27-15(10)18(26-3)13(16)23/h4-6,19-21,23H,1-3H3"	COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)OC)O	AOOSHVWNBJZOEH-UHFFFAOYSA-N
DG61802	Deplancheine	5386990	Deplancheine; SCHEMBL1944805; CHEMBL1981945; NSC619164; NSC-619164	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619164	.	.	.	.	252.35	C17H20N2	19	376	2.9	19	1	1	0	"InChI=1S/C17H20N2/c1-2-12-7-8-16-17-14(9-10-19(16)11-12)13-5-3-4-6-15(13)18-17/h2-6,16,18H,7-11H2,1H3/b12-2+"	C/C=C/1\\CCC2C3=C(CCN2C1)C4=CC=CC=C4N3	GVGJKCCVRKFWAF-SWGQDTFXSA-N
DG61803	"(3Z)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine"	5386991	NSC619166; CHEMBL1995853; NSC-619166	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619166	.	.	.	.	252.35	C17H20N2	19	376	2.9	19	1	1	0	"InChI=1S/C17H20N2/c1-2-12-7-8-16-17-14(9-10-19(16)11-12)13-5-3-4-6-15(13)18-17/h2-6,16,18H,7-11H2,1H3/b12-2-"	C/C=C\\1/CCC2C3=C(CCN2C1)C4=CC=CC=C4N3	GVGJKCCVRKFWAF-OIXVIMQBSA-N
DG61804	"3,5-Bis[4-(dimethylamino)benzylidene]piperidin-4-one"	5387024	"NSC619904; CHEMBL484992; ZINC31817905; NSC-619904; 3,5-bis[4-(dimethylamino)benzylidene]piperidin-4-one; (3e,5e)-3,5-bis(4'-dimethylaminobenzylidene)-piperidin-4-one; (3E,5E)-3,5-Bis[4-(dimethylamino)benzylidene]piperidine-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619904	.	.	.	.	361.5	C23H27N3O	35.6	514	3.4	27	1	4	4	"InChI=1S/C23H27N3O/c1-25(2)21-9-5-17(6-10-21)13-19-15-24-16-20(23(19)27)14-18-7-11-22(12-8-18)26(3)4/h5-14,24H,15-16H2,1-4H3/b19-13+,20-14+"	CN(C1=CC=C(C=C1)/C=C\\2/C(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/CNC2)C	PQXIGFCAMSKVHL-IWGRKNQJSA-N
DG61805	"4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxobutanoic acid"	5387025	"NSC619905; CHEMBL1979107; NSC-619905; 4-(3,5-dibenzylidene-4-oxopiperidin-1-yl)-4-oxobutanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619905	.	.	.	.	375.4	C23H21NO4	74.7	612	2.5	28	1	4	5	"InChI=1S/C23H21NO4/c25-21(11-12-22(26)27)24-15-19(13-17-7-3-1-4-8-17)23(28)20(16-24)14-18-9-5-2-6-10-18/h1-10,13-14H,11-12,15-16H2,(H,26,27)/b19-13+,20-14+"	C\\1N(C/C(=C\\C2=CC=CC=C2)/C(=O)/C1=C/C3=CC=CC=C3)C(=O)CCC(=O)O	DLGHSYFVUXHNFI-IWGRKNQJSA-N
DG61806	"4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxobutanoic acid methyl ester"	5387026	"NSC619906; CHEMBL1988835; ZINC5809755; NSC-619906; 4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxobutanoic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619906	.	.	.	.	389.4	C24H23NO4	63.7	626	2.9	29	0	4	6	"InChI=1S/C24H23NO4/c1-29-23(27)13-12-22(26)25-16-20(14-18-8-4-2-5-9-18)24(28)21(17-25)15-19-10-6-3-7-11-19/h2-11,14-15H,12-13,16-17H2,1H3/b20-14+,21-15+"	COC(=O)CCC(=O)N1C/C(=C\\C2=CC=CC=C2)/C(=O)/C(=C/C3=CC=CC=C3)/C1	NNSMQURZKUOLIF-OZNQKUEASA-N
DG61807	"ethyl (2E)-2-(1,4-dioxaspiro[4.4]nonan-9-ylidene)acetate"	5387033	NSC619937; CHEMBL1981904; ZINC5809796; NSC-619937	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619937	.	.	.	.	212.24	C11H16O4	44.8	276	0.5	15	0	4	3	"InChI=1S/C11H16O4/c1-2-13-10(12)8-9-4-3-5-11(9)14-6-7-15-11/h8H,2-7H2,1H3/b9-8+"	CCOC(=O)/C=C/1\\CCCC12OCCO2	CUYXHGWGOWOLEY-CMDGGOBGSA-N
DG61808	"[(5E,9E)-11-chloro-2-(hydroxymethyl)-6,10-dimethylundeca-1,5,9-trien-4-yl] acetate"	5387049	NSC619981; CHEMBL1966885; NSC-619981	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619981	.	.	.	.	300.82	C16H25ClO3	46.5	383	4	20	1	3	10	"InChI=1S/C16H25ClO3/c1-12(6-5-7-13(2)10-17)8-16(20-15(4)19)9-14(3)11-18/h7-8,16,18H,3,5-6,9-11H2,1-2,4H3/b12-8+,13-7+"	C/C(=C\\C(CC(=C)CO)OC(=O)C)/CC/C=C(\\C)/CCl	HNVFPCPYQLPCHE-SWZPTJTJSA-N
DG61809	(Z)-3-iodo-6-(phenylmethoxymethoxy)hex-2-en-1-ol	5387054	NSC619990; CHEMBL2003366; ZINC1615510; NSC-619990	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619990	.	.	.	.	362.2	C14H19IO3	38.7	225	2.9	18	1	3	9	"InChI=1S/C14H19IO3/c15-14(8-9-16)7-4-10-17-12-18-11-13-5-2-1-3-6-13/h1-3,5-6,8,16H,4,7,9-12H2/b14-8-"	C1=CC=C(C=C1)COCOCCC/C(=C/CO)/I	RRUFOHOOQJVMJO-ZSOIEALJSA-N
DG61810	"(E)-4-(2,5-dimethoxyphenyl)-3-ethoxycarbonylbut-3-enoic acid"	5387096	NSC620312; CHEMBL1972243; NSC-620312	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620312	.	.	.	.	294.3	C15H18O6	82.1	390	2	21	1	6	8	"InChI=1S/C15H18O6/c1-4-21-15(18)11(9-14(16)17)7-10-8-12(19-2)5-6-13(10)20-3/h5-8H,4,9H2,1-3H3,(H,16,17)/b11-7+"	CCOC(=O)/C(=C/C1=C(C=CC(=C1)OC)OC)/CC(=O)O	MINVFJFJVLIBOQ-YRNVUSSQSA-N
DG61811	methyl (E)-2-acetyl-5-phenylhex-4-enoate	5387097	NSC620323; CHEMBL1978850; NSC-620323	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620323	.	.	.	.	246.3	C15H18O3	43.4	325	3.2	18	0	3	6	"InChI=1S/C15H18O3/c1-11(13-7-5-4-6-8-13)9-10-14(12(2)16)15(17)18-3/h4-9,14H,10H2,1-3H3/b11-9+"	C/C(=C\\CC(C(=O)C)C(=O)OC)/C1=CC=CC=C1	MNJUDMANVVMTDA-PKNBQFBNSA-N
DG61812	methyl (E)-2-acetyl-5-(4-chlorophenyl)hex-4-enoate	5387098	NSC620324; CHEMBL2000798; NSC-620324	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620324	.	.	.	.	280.74	C15H17ClO3	43.4	354	3.9	19	0	3	6	"InChI=1S/C15H17ClO3/c1-10(12-5-7-13(16)8-6-12)4-9-14(11(2)17)15(18)19-3/h4-8,14H,9H2,1-3H3/b10-4+"	C/C(=C\\CC(C(=O)C)C(=O)OC)/C1=CC=C(C=C1)Cl	VAKUUPTXOJWYOT-ONNFQVAWSA-N
DG61813	"2-Propenal, 3-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)-, (2E)-"	5387141	"Citreopyrone B; 79498-33-2; NSC621097; CHEMBL2003397; 2-Propenal, 3-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)-, (2E)-; NSC-621097"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621097	.	.	.	.	194.18	C10H10O4	52.6	347	0.3	14	0	4	3	"InChI=1S/C10H10O4/c1-7-8(4-3-5-11)14-10(12)6-9(7)13-2/h3-6H,1-2H3/b4-3+"	CC1=C(OC(=O)C=C1OC)/C=C/C=O	AIRRMJKMFDZHMS-ONEGZZNKSA-N
DG61814	(2E)-3-(3-nitrophenyl)-1-(pyridin-3-yl)prop-2-en-1-one	5387156	(2E)-3-(3-nitrophenyl)-1-(pyridin-3-yl)prop-2-en-1-one; (E)-3-(3-nitrophenyl)-1-pyridin-3-ylprop-2-en-1-one; 16232-05-6; NSC621364; CHEMBL1965072; ZINC4079541; STK054077; AKOS003670728; NSC-621364; SR-01000006386; SR-01000006386-1; F0472-0186; (E)-3-(3-nitrophenyl)-1-(pyridin-3-yl)prop-2-en-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621364	.	.	.	.	254.24	C14H10N2O3	75.8	362	2.4	19	0	4	3	InChI=1S/C14H10N2O3/c17-14(12-4-2-8-15-10-12)7-6-11-3-1-5-13(9-11)16(18)19/h1-10H/b7-6+	C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)C2=CN=CC=C2	FVLXAEXRZJMEIS-VOTSOKGWSA-N
DG61815	(2E)-3-(4-methylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one	5387157	(2E)-3-(4-methylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one; 13909-56-3; 4-Methyl-4'-nitrochalcone; NSC621365; SCHEMBL9341399; CHEMBL2001629; ZINC5128196; MFCD00024748; AKOS000954638; NSC-621365	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621365	.	.	.	.	267.28	C16H13NO3	62.9	370	3.3	20	0	3	3	"InChI=1S/C16H13NO3/c1-12-2-4-13(5-3-12)6-11-16(18)14-7-9-15(10-8-14)17(19)20/h2-11H,1H3/b11-6+"	CC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-]	SBRXCTYIGBXNJY-IZZDOVSWSA-N
DG61816	(E)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one	5387180	NSC621476; CHEMBL463792; NSC-621476	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621476	.	.	.	.	351.3	C18H13N3O5	109	658	2.2	26	0	6	3	"InChI=1S/C18H13N3O5/c1-12-18(20(24)16-5-3-2-4-15(16)19(12)23)17(22)11-8-13-6-9-14(10-7-13)21(25)26/h2-11H,1H3/b11-8+"	CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]	VICWOEASAXXUSB-DHZHZOJOSA-N
DG61817	NSC622070	5387228	"propan-2-yl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate; NSC622070; CHEMBL1981217; NSC-622070"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622070	.	.	.	.	676.8	C37H44N2O10	122	1140	6.2	49	0	10	13	"InChI=1S/C37H44N2O10/c1-21(2)49-37(42)39-28(17-26-19-30(44-6)34(48-10)23(4)32(26)46-8)35(40)38(20-24-14-12-11-13-15-24)27(36(39)41)16-25-18-29(43-5)33(47-9)22(3)31(25)45-7/h11-16,18-19,21,28H,17,20H2,1-10H3/b27-16-"	CC1=C(C(=CC(=C1OC)OC)CC2C(=O)N(/C(=C\\C3=CC(=C(C(=C3OC)C)OC)OC)/C(=O)N2C(=O)OC(C)C)CC4=CC=CC=C4)OC	SKESHLUVQUFVJP-YUMHPJSZSA-N
DG61818	NSC622071	5387229	"propan-2-yl (3Z)-4-[(4-methoxyphenyl)methyl]-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate; NSC622071; CHEMBL1993821; NSC-622071"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622071	.	.	.	.	706.8	C38H46N2O11	132	1190	6.2	51	0	11	14	"InChI=1S/C38H46N2O11/c1-21(2)51-38(43)40-29(17-26-19-31(46-7)35(50-11)23(4)33(26)48-9)36(41)39(20-24-12-14-27(44-5)15-13-24)28(37(40)42)16-25-18-30(45-6)34(49-10)22(3)32(25)47-8/h12-16,18-19,21,29H,17,20H2,1-11H3/b28-16-"	CC1=C(C(=CC(=C1OC)OC)CC2C(=O)N(/C(=C\\C3=CC(=C(C(=C3OC)C)OC)OC)/C(=O)N2C(=O)OC(C)C)CC4=CC=C(C=C4)OC)OC	OQASDBXVYYAUOR-NTFVMDSBSA-N
DG61819	NSC622072	5387230	"benzyl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate; NSC622072; CHEMBL1975180; NSC-622072"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622072	.	.	.	.	724.8	C41H44N2O10	122	1240	6.9	53	0	10	14	"InChI=1S/C41H44N2O10/c1-25-35(49-5)29(21-33(47-3)37(25)51-7)19-31-40(45)43(41(46)53-24-28-17-13-10-14-18-28)32(39(44)42(31)23-27-15-11-9-12-16-27)20-30-22-34(48-4)38(52-8)26(2)36(30)50-6/h9-19,21-22,32H,20,23-24H2,1-8H3/b31-19-"	CC1=C(C(=CC(=C1OC)OC)CC2C(=O)N(/C(=C\\C3=CC(=C(C(=C3OC)C)OC)OC)/C(=O)N2C(=O)OCC4=CC=CC=C4)CC5=CC=CC=C5)OC	RRKRJFDFMPHWGH-DXJNIWACSA-N
DG61820	NSC622073	5387231	"2-methylpropyl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate; NSC622073; CHEMBL1982056; NSC-622073"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622073	.	.	.	.	690.8	C38H46N2O10	122	1160	6.7	50	0	10	14	"InChI=1S/C38H46N2O10/c1-22(2)21-50-38(43)40-29(17-27-19-31(45-6)35(49-10)24(4)33(27)47-8)36(41)39(20-25-14-12-11-13-15-25)28(37(40)42)16-26-18-30(44-5)34(48-9)23(3)32(26)46-7/h11-16,18-19,22,29H,17,20-21H2,1-10H3/b28-16-"	CC1=C(C(=CC(=C1OC)OC)CC2C(=O)N(/C(=C\\C3=CC(=C(C(=C3OC)C)OC)OC)/C(=O)N2C(=O)OCC(C)C)CC4=CC=CC=C4)OC	DWZBSNGFQMFWSI-NTFVMDSBSA-N
DG61821	(2E)-3-(2-Fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one	5387272	2805-52-9; (2E)-3-(2-Fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one; NSC622316; CHEMBL1974386; (E)-3-(2-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one; ZINC5811402; MFCD01901501; AKOS000954512; NSC-622316	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622316	.	.	.	.	271.24	C15H10FNO3	62.9	383	3.6	20	0	4	3	InChI=1S/C15H10FNO3/c16-14-4-2-1-3-11(14)7-10-15(18)12-5-8-13(9-6-12)17(19)20/h1-10H/b10-7+	C1=CC=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-])F	WYZNBSVYZOTWGY-JXMROGBWSA-N
DG61822	"2-[(E)-2-(furan-3-yl)ethenyl]-3-methyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole"	5387274	NSC622348; CHEMBL2005911; NSC-622348	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622348	.	.	.	.	219.28	C13H17NO2	25.6	279	2.7	16	0	3	2	"InChI=1S/C13H17NO2/c1-10-12-3-2-7-14(12)16-13(10)5-4-11-6-8-15-9-11/h4-6,8-10,12-13H,2-3,7H2,1H3/b5-4+"	CC1C2CCCN2OC1/C=C/C3=COC=C3	BEQCVWNTRFMCAF-SNAWJCMRSA-N
DG61823	11-Nitronoracronycin	5387300	"11-Nitronoracronycin; 133761-41-8; 11-Nitronoracronycine; CHEMBL1998930; DTXSID00158353; 6-hydroxy-3,3,12-trimethyl-11-nitropyrano[2,3-c]acridin-7-one; NSC622482; NSC-622482; 3,12-Dihydro-6-hydroxy-3,3,12-trimethyl-11-nitro-7H-pyrano(2,3-c)acridin-7-one; NCI60_006592; 3,12-Dihydro-6-hydroxy-3,3,12-trimethyl-11-nitro-7H-pyrano(2,3-c)acrid in-7-one; 7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6-hydroxy-3,3,12-trimethyl-11-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622482	.	.	.	.	352.3	C19H16N2O5	95.6	642	3.7	26	1	6	0	"InChI=1S/C19H16N2O5/c1-19(2)8-7-10-14(26-19)9-13(22)15-17(10)20(3)16-11(18(15)23)5-4-6-12(16)21(24)25/h4-9,22H,1-3H3"	CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4[N+](=O)[O-])C)O)C	FGHCFTMHOSQNGT-UHFFFAOYSA-N
DG61824	"N-(4-Chlorophenyl)-4,6-dioxo-8-phenyl-7-octenamide"	5387303	"NSC622570; CHEMBL2000971; ZINC5315151; NSC-622570; N-(4-Chlorophenyl)-4,6-dioxo-8-phenyl-7-octenamide; (E)-N-(4-chlorophenyl)-4,6-dioxo-8-phenyl-oct-7-enamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622570	.	.	.	.	355.8	C20H18ClNO3	63.2	489	3.3	25	1	3	8	"InChI=1S/C20H18ClNO3/c21-16-7-9-17(10-8-16)22-20(25)13-12-19(24)14-18(23)11-6-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,25)/b11-6+"	C1=CC=C(C=C1)/C=C/C(=O)CC(=O)CCC(=O)NC2=CC=C(C=C2)Cl	GCSDREAXVFBJOE-IZZDOVSWSA-N
DG61825	"(2E)-5-methyl-2-(2-oxopropylidene)-1H-1,5-benzodiazepin-4-one"	5387358	NSC622726; CHEMBL2002359; ZINC18212667; NSC-622726	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622726	.	.	.	.	230.26	C13H14N2O2	49.4	362	0.8	17	1	3	1	"InChI=1S/C13H14N2O2/c1-9(16)7-10-8-13(17)15(2)12-6-4-3-5-11(12)14-10/h3-7,14H,8H2,1-2H3/b10-7+"	CC(=O)/C=C/1\\CC(=O)N(C2=CC=CC=C2N1)C	YCIMIWSJTNBBPH-JXMROGBWSA-N
DG61826	"(2E)-5-ethyl-2-(2-oxopropylidene)-1H-1,5-benzodiazepin-4-one"	5387359	NSC622727; CHEMBL2004789; ZINC8652965; NSC-622727	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622727	.	.	.	.	244.29	C14H16N2O2	49.4	376	1.1	18	1	3	2	"InChI=1S/C14H16N2O2/c1-3-16-13-7-5-4-6-12(13)15-11(8-10(2)17)9-14(16)18/h4-8,15H,3,9H2,1-2H3/b11-8+"	CCN1C(=O)C/C(=C\\C(=O)C)/NC2=CC=CC=C21	XAEOTIATZZMIHS-DHZHZOJOSA-N
DG61827	"3,4,5-Trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid"	5387370	"Apigenin 7-glucuronide; 3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid; apigenin-7-o-glucuronide; NSC622811; Apigenin 7-O-; A-glucuronide; CHEMBL1980748; SCHEMBL12955450; CHEBI:182306; BCP10282; NSC-622811; NCI60_006773; Apigenin 7-glucuronide pound>>Apigenin 7-O-b-glucuronide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622811	.	.	.	.	446.4	C21H18O11	183	746	0.2	32	6	11	4	"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)"	C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O	JBFOLLJCGUCDQP-UHFFFAOYSA-N
DG61828	"ethyl (E)-3-(2,4-dimethylphenyl)but-2-enoate"	5387373	NSC622934; CHEMBL1967703; ZINC1617045; NSC-622934	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622934	.	.	.	.	218.29	C14H18O2	26.3	268	3.9	16	0	2	4	"InChI=1S/C14H18O2/c1-5-16-14(15)9-12(4)13-7-6-10(2)8-11(13)3/h6-9H,5H2,1-4H3/b12-9+"	CCOC(=O)/C=C(\\C)/C1=C(C=C(C=C1)C)C	ABNFDZKNXPLYMC-FMIVXFBMSA-N
DG61829	(E)-3-chloro-2-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enal	5387393	NSC623172; CHEMBL1979689; ZINC1617201; NSC-623172	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623172	.	.	.	.	316.8	C18H17ClO3	35.5	378	4.2	22	0	3	6	"InChI=1S/C18H17ClO3/c1-3-22-16-10-4-13(5-11-16)17(12-20)18(19)14-6-8-15(21-2)9-7-14/h4-12H,3H2,1-2H3/b18-17-"	CCOC1=CC=C(C=C1)/C(=C(/C2=CC=C(C=C2)OC)\\Cl)/C=O	BCYMNMSQJIBWRH-ZCXUNETKSA-N
DG61830	(E)-3-chloro-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enal	5387394	NSC623173; CHEMBL1982779; NSC-623173	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623173	.	.	.	.	290.71	C16H12ClFO2	26.3	354	3.9	20	0	3	4	"InChI=1S/C16H12ClFO2/c1-20-14-8-4-12(5-9-14)16(17)15(10-19)11-2-6-13(18)7-3-11/h2-10H,1H3/b16-15-"	COC1=CC=C(C=C1)/C(=C(\\C=O)/C2=CC=C(C=C2)F)/Cl	DADGKXVUMYDSAA-NXVVXOECSA-N
DG61831	(E)-3-chloro-3-(4-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enal	5387396	NSC623175; CHEMBL1974520; NSC-623175	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623175	.	.	.	.	317.72	C16H12ClNO4	72.1	430	3.7	22	0	4	4	"InChI=1S/C16H12ClNO4/c1-22-14-8-4-12(5-9-14)16(17)15(10-19)11-2-6-13(7-3-11)18(20)21/h2-10H,1H3/b16-15-"	COC1=CC=C(C=C1)/C(=C(\\C=O)/C2=CC=C(C=C2)[N+](=O)[O-])/Cl	UROLNJHMEXESOH-NXVVXOECSA-N
DG61832	"(E)-3-chloro-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enal"	5387397	NSC623176; CHEMBL1999558; NSC-623176	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623176	.	.	.	.	347.7	C17H14ClNO5	81.4	482	3.6	24	0	5	5	"InChI=1S/C17H14ClNO5/c1-23-15-8-5-12(9-16(15)24-2)17(18)14(10-20)11-3-6-13(7-4-11)19(21)22/h3-10H,1-2H3/b17-14-"	COC1=C(C=C(C=C1)/C(=C(\\C=O)/C2=CC=C(C=C2)[N+](=O)[O-])/Cl)OC	WBCMAZSOQPPOQZ-VKAVYKQESA-N
DG61833	"(E)-3-chloro-2-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enal"	5387399	NSC623178; CHEMBL1992563; ZINC1617207; NSC-623178	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623178	.	.	.	.	371.6	C17H13Cl3O3	35.5	441	5.1	23	0	3	5	"InChI=1S/C17H13Cl3O3/c1-22-15-6-4-11(8-16(15)23-2)17(20)12(9-21)10-3-5-13(18)14(19)7-10/h3-9H,1-2H3/b17-12-"	COC1=C(C=C(C=C1)/C(=C(\\C=O)/C2=CC(=C(C=C2)Cl)Cl)/Cl)OC	LHHYMABXISBAHT-ATVHPVEESA-N
DG61834	"(E)-2-(4-bromophenyl)-3-chloro-3-(3,4-dimethoxyphenyl)prop-2-enal"	5387401	NSC623180; CHEMBL1972848; NSC-623180	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623180	.	.	.	.	381.6	C17H14BrClO3	35.5	405	4.5	22	0	3	5	"InChI=1S/C17H14BrClO3/c1-21-15-8-5-12(9-16(15)22-2)17(19)14(10-20)11-3-6-13(18)7-4-11/h3-10H,1-2H3/b17-14-"	COC1=C(C=C(C=C1)/C(=C(\\C=O)/C2=CC=C(C=C2)Br)/Cl)OC	ATTBXMTYAFPUED-VKAVYKQESA-N
DG61835	"(E)-3-chloro-3-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enal"	5387416	NSC623234; CHEMBL1987737; ZINC1617222	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623234	.	.	.	.	392.8	C20H21ClO6	63.2	497	3.7	27	0	6	8	"InChI=1S/C20H21ClO6/c1-23-15-7-6-12(8-16(15)24-2)19(21)14(11-22)13-9-17(25-3)20(27-5)18(10-13)26-4/h6-11H,1-5H3/b19-14-"	COC1=C(C=C(C=C1)/C(=C(\\C=O)/C2=CC(=C(C(=C2)OC)OC)OC)/Cl)OC	JKJHXSSWNTZDGL-RGEXLXHISA-N
DG61836	[(E)-3-(Phenylsulfonyl)allyl]phenyl sulfone	5387479	NSC623968; CHEMBL1980299; NSC-623968; [(E)-3-(Phenylsulfonyl)allyl]phenyl sulfone; [(E)-3-(benzenesulfonyl)allyl]sulfonylbenzene; ((3-(Phenylsulfonyl)-1-propenyl)sulfonyl)benzene	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623968	.	.	.	.	322.4	C15H14O4S2	85	538	2.2	21	0	4	5	"InChI=1S/C15H14O4S2/c16-20(17,14-8-3-1-4-9-14)12-7-13-21(18,19)15-10-5-2-6-11-15/h1-12H,13H2/b12-7+"	C1=CC=C(C=C1)S(=O)(=O)C/C=C/S(=O)(=O)C2=CC=CC=C2	RSTGVZDDFHPCLL-KPKJPENVSA-N
DG61837	"4-amino-N-[(Z)-1-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-2-(3-nitrophenyl)vinyl]benzamide"	5387512	"NSC624414; CHEMBL1985202; NSC-624414; 4-amino-N-[(Z)-1-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-2-(3-nitrophenyl)vinyl]benzamide; Benzamide, 4-amino-N-[(Z)-1-(6,11-dihydro-6,11-dioxo-3H-anthra[1,2-d]imidazol-2-yl)-2-(3-nitrophenyl)ethenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624414	.	.	.	.	529.5	C30H19N5O5	164	1050	4.5	40	3	7	4	"InChI=1S/C30H19N5O5/c31-18-10-8-17(9-11-18)30(38)33-24(15-16-4-3-5-19(14-16)35(39)40)29-32-23-13-12-22-25(26(23)34-29)28(37)21-7-2-1-6-20(21)27(22)36/h1-15H,31H2,(H,32,34)(H,33,38)/b24-15-"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC(=N4)/C(=C/C5=CC(=CC=C5)[N+](=O)[O-])/NC(=O)C6=CC=C(C=C6)N	JIJBKSPGDRDYFX-IWIPYMOSSA-N
DG61838	"N-[(Z)-1-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-2-(3-nitrophenyl)vinyl]benzamide"	5387516	"NSC624418; CHEMBL2006529; NSC-624418; N-(1-(6,11-Dioxo-6,11-dihydro-3H-anthra[1,2-d]imidazol-2-yl)-2-(3-(hydroxy(oxido)amino)phenyl)vinyl)benzamide; N-[(Z)-1-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-2-(3-nitrophenyl)vinyl]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624418	.	.	.	.	514.5	C30H18N4O5	138	1020	5.2	39	2	6	4	"InChI=1S/C30H18N4O5/c35-27-20-11-4-5-12-21(20)28(36)25-22(27)13-14-23-26(25)33-29(31-23)24(32-30(37)18-8-2-1-3-9-18)16-17-7-6-10-19(15-17)34(38)39/h1-16H,(H,31,33)(H,32,37)/b24-16-"	C1=CC=C(C=C1)C(=O)N/C(=C\\C2=CC(=CC=C2)[N+](=O)[O-])/C3=NC4=C(N3)C=CC5=C4C(=O)C6=CC=CC=C6C5=O	YFWKBDJRGLXKSU-JLPGSUDCSA-N
DG61839	"4-amino-N-[(1Z,3E)-1-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-4-(2-furyl)buta-1,3-dienyl]benzamide"	5387523	"NSC624426; CHEMBL1967381; ZINC5545780; NSC-624426; 3H-Anthra[1,11-dione, 2-[1-[[(4-aminophenyl) carbonyl]amino]-1-(2-furanyl)-1,3-butadienyl]-; 4-amino-N-[(1Z,3E)-1-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-4-(2-furyl)buta-1,3-dienyl]benzamide; Benzamide, 4-amino-N-[1-(6,11-dihydro-6,11-dioxo-3H-anthra[1,2-c]pyrazol-2-yl)-4-(2-furanyl)-1,3-butadienyl]-; Benzamide,11-dihydro-6,11-dioxo-3H-anthra[1,2-c]pyrazol-2-yl)-4-(2-furanyl)-1,3-butadienyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624426	.	.	.	.	500.5	C30H20N4O4	131	987	4.4	38	3	6	5	"InChI=1S/C30H20N4O4/c31-18-12-10-17(11-13-18)30(37)33-24(9-3-5-19-6-4-16-38-19)29-32-23-15-14-22-25(26(23)34-29)28(36)21-8-2-1-7-20(21)27(22)35/h1-16H,31H2,(H,32,34)(H,33,37)/b5-3+,24-9-"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC(=N4)/C(=C/C=C/C5=CC=CO5)/NC(=O)C6=CC=C(C=C6)N	NXYPOZHHRVRHCP-SRZODOGPSA-N
DG61840	"N-[(Z)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)-2-(3-nitrophenyl)vinyl]acetamide"	5387535	"NSC624439; CHEMBL1981205; NSC-624439; 3H-Anthra[1,11-dione, 2-[1-(acetylamino)-2- (4-nitrophenyl)ethenyl)-; Acetamide,11-dihydro-6,11-dioxo3H-anthra[1,2-c]pyrazol-2-yl)ethenyl]-; Acetamide, N-[2-(4-nitrophenyl)-1-(6,11-dihydro-6,11-dioxo3H-anthra[1,2-c]pyrazol-2-yl)ethenyl]-; N-[(Z)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)-2-(3-nitrophenyl)vinyl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624439	.	.	.	.	452.4	C25H16N4O5	138	898	3.5	34	2	6	3	"InChI=1S/C25H16N4O5/c1-13(30)26-20(12-14-5-4-6-15(11-14)29(33)34)25-27-19-10-9-18-21(22(19)28-25)24(32)17-8-3-2-7-16(17)23(18)31/h2-12H,1H3,(H,26,30)(H,27,28)/b20-12-"	CC(=O)N/C(=C\\C1=CC(=CC=C1)[N+](=O)[O-])/C2=NC3=C(N2)C=CC4=C3C(=O)C5=CC=CC=C5C4=O	BBUHAKBQKCORDR-NDENLUEZSA-N
DG61841	"(4Z,6Z)-4,6-dibenzylidene-2,2-dimethyl-1,3-dioxan-5-one"	5387558	"NSC624512; CHEMBL1992142; (4Z,6Z)-4,6-dibenzylidene-2,2-dimethyl-1,3-dioxan-5-one; NSC-624512; 4,6-Dibenzylidene-2,2-dimethyl-1,3-dioxan-5-one; 2,2-Dimethyl-4,6-bis[(Z)-benzylidene]-1,3-dioxane-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624512	.	.	.	.	306.4	C20H18O3	35.5	447	5.1	23	0	3	2	"InChI=1S/C20H18O3/c1-20(2)22-17(13-15-9-5-3-6-10-15)19(21)18(23-20)14-16-11-7-4-8-12-16/h3-14H,1-2H3/b17-13-,18-14-"	CC1(O/C(=C\\C2=CC=CC=C2)/C(=O)/C(=C/C3=CC=CC=C3)/O1)C	QGRDVHZIDHEPCR-JTFWXBGUSA-N
DG61842	NSC624664	5387564	"(2Z)-6-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-[(3,4,5-trihydroxyphenyl)methylene]benzofuran-3-one; Bractein; NSC624664; CHEMBL1972687; NSC-624664; (2Z)-6-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-[(3,4,5-trihydroxyphenyl)methylene]benzofuran-3-one; 6-Hydroxy-3-oxo-2-(3,4,5-trihydroxybenzylidene)-2,3-dihydro-1-benzofuran-4-yl hexopyranoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624664	.	.	.	.	464.4	C21H20O12	207	733	0	33	8	12	4	"InChI=1S/C21H20O12/c22-6-14-18(28)19(29)20(30)21(33-14)32-12-5-8(23)4-11-15(12)17(27)13(31-11)3-7-1-9(24)16(26)10(25)2-7/h1-5,14,18-26,28-30H,6H2/b13-3-"	C1=C(C=C(C(=C1O)O)O)/C=C\\2/C(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O	CNLUHMGCIFZWFM-DXNYSGJVSA-N
DG61843	Myricoidine Picrate	5387595	Myricoidine Picrate; NSC625008; CHEMBL1973491; NSC-625008	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625008	.	.	.	.	293.4	C17H31N3O	53.2	326	1.7	21	3	3	4	"InChI=1S/C17H31N3O/c1-2-3-4-5-6-10-16-15-17(21)20-14-9-12-18-11-7-8-13-19-16/h3-4,6,10,16,18-19H,2,5,7-9,11-15H2,1H3,(H,20,21)/b4-3-,10-6-"	CC/C=C\\C/C=C\\C1CC(=O)NCCCNCCCCN1	LUOMCXKCIGOCHI-YVCTXXAJSA-N
DG61844	Suillin	5387599	"Suillin; 103538-03-0; NSC625110; 4-Acetoxy-3-geranylgeranyl-1,2-dihydroxybenzene; [3,4-dihydroxy-2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenyl] acetate; NSC 625110; TETRAPRENYLPHENOLSUILLIN; CHEMBL485467; CHEBI:190366; NSC-625110; 1,2,4-Benzenetriol, 3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-, 4-acetate, (E,E,E)-; 3,4-Dihydroxy-2-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)phenyl acetate; 1,2,4-Benzenetriol, 3-(3,7,11,15-tetramethyl)-2,6,10, 14-hexadecatetraenyl)- 4-acetate, (E,E,E)-; 1,4-Benzenetriol, 3-(3,7,11,15-tetramethyl)-2,6,10,14-hexadecatetraenyl)- 4-acetate, (E,E,E)-; 3-[(2E,6E,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl]-4-acetoxypyrocatechol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625110	.	.	.	.	440.6	C28H40O4	66.8	694	8.5	32	2	4	13	"InChI=1S/C28H40O4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-27(32-24(6)29)19-18-26(30)28(25)31/h10,12,14,16,18-19,30-31H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+"	CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C=CC(=C1O)O)OC(=O)C)/C)/C)/C)C	TVYGOMSIBBSIKO-MLAGYPMBSA-N
DG61845	"2,2,7,7,12,12,17,17-Octamethyl-21-oxabicyclo[16.2.1]henicosa-1(20),4,9,14,18-pentaene-3,6,8,11,13,16-hexone"	5387611	"NSC625154; 2,2,7,7,12,12,17,17-Octamethyl-21-oxabicyclo[16.2.1]henicosa-1(20),4,9,14,18-pentaene-3,6,8,11,13,16-hexone; MLS002701621; CHEMBL1969234; ZINC73116342; AKOS024406307; NSC-625154; (4Z,9Z,14Z)-2,2,7,7,12,12,17,17-octamethyl-21-oxabicyclo[16.2.1]henicosa-1(20),4,9,14,18-pentaene-3,6,8,11,13,16-hexone; 21-Oxabicyclo[16.2.1]heneicosane-4,14,18,20-pentaene, 3,6,8,11,13,16-hexaoxo-2,2,7,7,,12,12,17,17-octamethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625154	.	.	.	.	480.5	C28H32O7	116	965	4.1	35	0	7	0	"InChI=1S/C28H32O7/c1-25(2)17(29)9-10-18(30)26(3,4)20(32)12-14-22(34)28(7,8)24-16-15-23(35-24)27(5,6)21(33)13-11-19(25)31/h9-16H,1-8H3/b10-9-,13-11-,14-12-"	CC1(C(=O)/C=C\\C(=O)C(C2=CC=C(O2)C(C(=O)/C=C\\C(=O)C(C(=O)/C=C\\C1=O)(C)C)(C)C)(C)C)C	OAVCWCVIFBSXIA-OXJRGYCCSA-N
DG61846	"(4Z,9Z,14Z,19Z)-2,2,7,7,12,12,17,17-octamethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone"	5387612	"NSC625155; CHEMBL1971270; ZINC73280837; AKOS024323707; NSC-625155; (4Z,9Z,14Z,19Z)-2,2,7,7,12,12,17,17-octamethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone; OCTAMETHYL-CYCLOEICOSA-4,9,14,19-TETRAEN-1,3,6,8,11,13,16,18-OCTAONE; 2,2,7,7,12,12,17,17-Octamethyl-4,9,14,19-cycloicosatetraene-1,3,6,8,11,13,16,18-octone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625155	.	.	.	.	496.5	C28H32O8	137	900	3.6	36	0	8	0	"InChI=1S/C28H32O8/c1-25(2)17(29)9-11-19(31)26(3,4)21(33)13-15-23(35)28(7,8)24(36)16-14-22(34)27(5,6)20(32)12-10-18(25)30/h9-16H,1-8H3/b11-9-,12-10-,15-13-,16-14-"	CC1(C(=O)/C=C\\C(=O)C(C(=O)/C=C\\C(=O)C(C(=O)/C=C\\C(=O)C(C(=O)/C=C\\C1=O)(C)C)(C)C)(C)C)C	ZESYLGKHDBKSPD-LUHLCGLTSA-N
DG61847	NSC625156	5387613	"(4Z)-14,15-dibromo-2,2,7,7,12,12,17,17-octamethyl-21,22-dioxatricyclo[16.2.1.18,11]docosa-1(20),4,8,10,18-pentaene-3,6,13,16-tetrone; NSC625156; dibromo(octamethyl)[ ]tetrone; CHEMBL2005808; NSC-625156; 14,15-Dibromo-2,2,7,7,12,12,17,17-octamethyl-21,22-dioxatricyclo[16.2.1.1~8,11~]docosa-1(20),4,8,10,18-pentaene-3,6,13,16-tetrone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625156	.	.	.	.	624.4	C28H32Br2O6	94.6	887	6.1	36	0	6	0	"InChI=1S/C28H32Br2O6/c1-25(2)15(31)9-10-16(32)26(3,4)18-12-14-20(36-18)28(7,8)24(34)22(30)21(29)23(33)27(5,6)19-13-11-17(25)35-19/h9-14,21-22H,1-8H3/b10-9-"	CC1(C(=O)/C=C\\C(=O)C(C2=CC=C(O2)C(C(=O)C(C(C(=O)C(C3=CC=C1O3)(C)C)Br)Br)(C)C)(C)C)C	WBIQJYVZFHNLRN-KTKRTIGZSA-N
DG61848	Ferprenin	5387614	"Ferprenin; NSC625193; 114727-96-7; CHEMBL1977141; 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methylpyrano[3,2-c]chromen-5-one; NSC-625193; 2-[(3E)-4,8-Dimethylnona-3,7-dien-1-yl]-2-methyl-2H,5H-pyrano[3,2-c]chromen-5-one; 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-pyrano[3,2-c]chromen-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625193	.	.	.	.	364.5	C24H28O3	35.5	690	6.4	27	0	3	6	"InChI=1S/C24H28O3/c1-17(2)9-7-10-18(3)11-8-15-24(4)16-14-20-22(27-24)19-12-5-6-13-21(19)26-23(20)25/h5-6,9,11-14,16H,7-8,10,15H2,1-4H3/b18-11+"	CC(=CCC/C(=C/CCC1(C=CC2=C(O1)C3=CC=CC=C3OC2=O)C)/C)C	JQLNFODDCYXPCO-WOJGMQOQSA-N
DG61849	N-phenyl-2-[(E)-styryl]naphthalen-1-amine	5387657	NSC625582; CHEMBL1973621; NSC-625582; N-phenyl-2-[(E)-styryl]naphthalen-1-amine; N-Phenyl-2-(2-phenylvinyl)-1-naphthalenamine; N-Phenyl-N-(2-(2-phenylvinyl)-1-naphthyl)amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625582	.	.	.	.	321.4	C24H19N	12	416	7	25	1	1	4	"InChI=1S/C24H19N/c1-3-9-19(10-4-1)15-16-21-18-17-20-11-7-8-14-23(20)24(21)25-22-12-5-2-6-13-22/h1-18,25H/b16-15+"	C1=CC=C(C=C1)/C=C/C2=C(C3=CC=CC=C3C=C2)NC4=CC=CC=C4	IFRHMPNZNUXBHQ-FOCLMDBBSA-N
DG61850	"3-[(6Z)-5-oxo-6-[(E)-3-phenylprop-2-enylidene]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(p-tolyl)propanamide"	5387697	"NSC625828; CHEMBL1990472; NSC-625828; 3-[(6Z)-5-oxo-6-[(E)-3-phenylprop-2-enylidene]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(p-tolyl)propanamide; N-(4-Methylphenyl)-3-(5-oxo-6-(3-phenyl-2-propenylidene)-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625828	.	.	.	.	416.5	C23H20N4O2S	102	681	4.2	30	1	5	6	"InChI=1S/C23H20N4O2S/c1-16-10-12-18(13-11-16)24-21(28)15-14-20-25-26-23-27(20)22(29)19(30-23)9-5-8-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,24,28)/b8-5+,19-9-"	CC1=CC=C(C=C1)NC(=O)CCC2=NN=C3N2C(=O)/C(=C/C=C/C4=CC=CC=C4)/S3	XYXMMVZHRHNZGQ-VNVABUEJSA-N
DG61851	2-Acetyl-N-(4-ethoxyphenyl)-3-phenylacrylamide	5387707	NSC625875; CHEMBL1966615; NSC-625875; 2-Acetyl-N-(4-ethoxyphenyl)-3-phenylacrylamide; (2E)-2-benzylidene-N-(4-ethoxyphenyl)-3-oxo-butanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625875	.	.	.	.	309.4	C19H19NO3	55.4	430	4	23	1	3	6	"InChI=1S/C19H19NO3/c1-3-23-17-11-9-16(10-12-17)20-19(22)18(14(2)21)13-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,20,22)/b18-13+"	CCOC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2)/C(=O)C	KUWCUUUEBDJARF-QGOAFFKASA-N
DG61852	"1,4-Dihydroxy-9(10H)-acridinone"	5387718	"1,4-Dihydroxy-9(10H)-acridinone; NSC625991; 96460-79-6; 1,4-dihydroxy-10H-acridin-9-one; CHEMBL1210650; DTXSID50242271; 1,4-Dihydroxyacridin-9(10H)-one; NSC-625991; NCI60_008229"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625991	.	.	.	.	227.21	C13H9NO3	69.6	320	2.8	17	3	4	0	"InChI=1S/C13H9NO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14-12/h1-6,15-16H,(H,14,17)"	C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3N2)O)O	JELGJYKLOMUUTO-UHFFFAOYSA-N
DG61853	3-(Methylanilino)-1-phenyl-4-(2-phenylvinyl)-2-azetidinone	5387746	NSC626661; CHEMBL1972701; NSC-626661; 3-(Methylanilino)-1-phenyl-4-(2-phenylvinyl)-2-azetidinone; 3-(N-methylanilino)-1-phenyl-4-[(E)-styryl]azetidin-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626661	.	.	.	.	354.4	C24H22N2O	23.6	513	5.1	27	0	2	5	"InChI=1S/C24H22N2O/c1-25(20-13-7-3-8-14-20)23-22(18-17-19-11-5-2-6-12-19)26(24(23)27)21-15-9-4-10-16-21/h2-18,22-23H,1H3/b18-17+"	CN(C1C(N(C1=O)C2=CC=CC=C2)/C=C/C3=CC=CC=C3)C4=CC=CC=C4	LDNPWLLXLIEPKG-ISLYRVAYSA-N
DG61854	"7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-1,5-octadiene"	5387751	"NSC626778; CHEMBL1970020; 7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-1,5-octadiene; 1,5-Octadiene, 7-(bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-; NSC-626778; 72719-90-5; (1E,5E)-7-(bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-octa-1,5-diene; 8-Bromo-1,3,4,7-tetrachloro-7-(chloromethyl)-3-methyl-1,5-octadiene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626778	.	.	.	.	389.4	C10H12BrCl5	0	268	4.7	16	0	0	6	"InChI=1S/C10H12BrCl5/c1-9(15,4-5-12)8(14)2-3-10(16,6-11)7-13/h2-5,8H,6-7H2,1H3/b3-2+,5-4+"	CC(/C=C/Cl)(C(/C=C/C(CCl)(CBr)Cl)Cl)Cl	HCTBSUXDIUTHQM-MQQKCMAXSA-N
DG61855	(5E)-2-[(dimethylamino)methyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride	5387758	NSC626874; SCHEMBL9300503; CHEMBL1966986; NSC-626874	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626874	.	.	.	.	295.8	C16H22ClNO2	29.5	349	.	20	1	3	4	"InChI=1S/C16H21NO2.ClH/c1-17(2)11-14-9-8-13(16(14)18)10-12-6-4-5-7-15(12)19-3;/h4-7,10,14H,8-9,11H2,1-3H3;1H/b13-10+;"	CN(C)CC1CC/C(=C\\C2=CC=CC=C2OC)/C1=O.Cl	FARKULNBEWZYTE-RSGUCCNWSA-N
DG61856	2-Dimethylaminomethyl-5-(E)-(2-ethoxycarbonylmethoxyl-benzylidene) cyclopentanone hydrochloride	5387760	NSC626875; SCHEMBL9300737; CHEMBL1971023; NSC-626875; 2-Dimethylaminomethyl-5-(E)-(2-ethoxycarbonylmethoxyl-benzylidene) cyclopentanone hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626875	.	.	.	.	367.9	C19H26ClNO4	55.8	472	.	25	1	5	8	"InChI=1S/C19H25NO4.ClH/c1-4-23-18(21)13-24-17-8-6-5-7-14(17)11-15-9-10-16(19(15)22)12-20(2)3;/h5-8,11,16H,4,9-10,12-13H2,1-3H3;1H/b15-11+;"	CCOC(=O)COC1=CC=CC=C1/C=C/2\\CCC(C2=O)CN(C)C.Cl	KACHONGZICJHPM-KRWCAOSLSA-N
DG61857	CID 5387762	5387762	MLS002701627; SMR001565228; NSC626878; SCHEMBL9302128; CHEMBL1713323; NSC-626878	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626878	.	.	.	.	245.79	C13H24ClNO	20.3	243	.	16	1	2	5	"InChI=1S/C13H23NO.ClH/c1-4-5-6-7-11-8-9-12(13(11)15)10-14(2)3;/h7,12H,4-6,8-10H2,1-3H3;1H/b11-7-;"	CCCC/C=C\\1/CCC(C1=O)CN(C)C.Cl	VXXNBWRDPYVVQC-AJULUCINSA-N
DG61858	(5E)-2-[(dimethylamino)methyl]-5-heptylidenecyclopentan-1-one;hydrochloride	5387764	NSC626879; CHEMBL1977244; NSC-626879	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626879	.	.	.	.	273.84	C15H28ClNO	20.3	268	.	18	1	2	7	"InChI=1S/C15H27NO.ClH/c1-4-5-6-7-8-9-13-10-11-14(15(13)17)12-16(2)3;/h9,14H,4-8,10-12H2,1-3H3;1H/b13-9+;"	CCCCCC/C=C/1\\CCC(C1=O)CN(C)C.Cl	UTDPNCFLWSUGJW-KJEVSKRMSA-N
DG61859	(5E)-2-[(dimethylamino)methyl]-5-[(4-hydroxyphenyl)methylidene]cyclopentan-1-one;hydrochloride	5387766	MLS002701628; NSC626880; SCHEMBL9300640; SCHEMBL9300643; CHEMBL1715042; NSC-626880; SMR001565229	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626880	.	.	.	.	281.78	C15H20ClNO2	40.5	327	.	19	2	3	3	"InChI=1S/C15H19NO2.ClH/c1-16(2)10-13-6-5-12(15(13)18)9-11-3-7-14(17)8-4-11;/h3-4,7-9,13,17H,5-6,10H2,1-2H3;1H/b12-9+;"	CN(C)CC1CC/C(=C\\C2=CC=C(C=C2)O)/C1=O.Cl	AZIMXESZBBJFSR-NBYYMMLRSA-N
DG61860	(2E)-2-[(4-chlorophenyl)methylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride	5387768	NSC626881; CHEMBL1992646; NSC-626881	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626881	.	.	.	.	300.2	C15H19Cl2NO	20.3	329	.	19	1	2	3	"InChI=1S/C15H18ClNO.ClH/c1-17(2)10-13-6-5-12(15(13)18)9-11-3-7-14(16)8-4-11;/h3-4,7-9,13H,5-6,10H2,1-2H3;1H/b12-9+;"	CN(C)CC1CC/C(=C\\C2=CC=C(C=C2)Cl)/C1=O.Cl	YANYHOAIRYYGNF-NBYYMMLRSA-N
DG61861	"N-(3,4-Dimethoxycinnamyl)-N-methyl-N-(2-phenylethyl)amine"	5387772	"NSC626952; CHEMBL1979746; NSC-626952; N-(3,4-Dimethoxycinnamyl)-N-methyl-N-(2-phenylethyl)amine; (E)-3-(3,4-dimethoxyphenyl)-N-methyl-N-phenethyl-prop-2-en-1-amine; (E)-N-Methyl-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)-2-propen-1-amine; 3-(3,4-Dimethoxyphenyl)-N-methyl-N-(2-phenylethyl)-2-propen-1-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626952	.	.	.	.	311.4	C20H25NO2	21.7	339	4.3	23	0	3	8	"InChI=1S/C20H25NO2/c1-21(15-13-17-8-5-4-6-9-17)14-7-10-18-11-12-19(22-2)20(16-18)23-3/h4-12,16H,13-15H2,1-3H3/b10-7+"	CN(CCC1=CC=CC=C1)C/C=C/C2=CC(=C(C=C2)OC)OC	FUZHNUFZOJGOGA-JXMROGBWSA-N
DG61862	"(3Z,4Z)-3,4-bis(1,3-benzodioxol-5-ylmethylene)tetrahydrofuran-2,5-dione"	5387806	"NSC627591; (3Z,4Z)-3,4-bis(1,3-benzodioxol-5-ylmethylene)tetrahydrofuran-2,5-dione; CHEMBL1979101; NSC-627591; trans,.alpha.'-Dipiperonylidene succinic anhydride; 3,4-Bis(1,3-benzodioxol-5-ylmethylene)dihydro-2,5-furandione; trans, trans-.alpha.,.alpha.'-Dipiperonylidene succinic anhydride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627591	.	.	.	.	364.3	C20H12O7	80.3	638	3.4	27	0	7	2	"InChI=1S/C20H12O7/c21-19-13(5-11-1-3-15-17(7-11)25-9-23-15)14(20(22)27-19)6-12-2-4-16-18(8-12)26-10-24-16/h1-8H,9-10H2/b13-5-,14-6-"	C1OC2=C(O1)C=CC(=C2)/C=C/3\\C(=O)OC(=O)\\C3=C/C4=CC5=C(OCO5)C=C4	WLQGATXUBPNDGZ-GFIWHYBVSA-N
DG61863	"1,4-Bis(3,4,5-trimethoxystyryl)benzene"	5387813	"NSC627651; MLS002701632; SCHEMBL631213; CHEMBL1703620; ZINC1619610; NSC-627651; 1,4-Bis(3,4,5-trimethoxystyryl)benzene; SMR001565233; 1,4-Bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene; 1,2,3-Trimethoxy-5-(2-(4-(2-(3,4,5-trimethoxyphenyl)vinyl)phenyl)vinyl)benzene; 1,2,3-trimethoxy-5-[(E)-2-[4-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]phenyl]vinyl]benzene; Benzene,5'-[(1,4-phenylene)bis (2,1-ethenediyl)]bis[1,2,3-trimethoxy-, (E,E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627651	.	.	.	.	462.5	C28H30O6	55.4	546	6.3	34	0	6	10	"InChI=1S/C28H30O6/c1-29-23-15-21(16-24(30-2)27(23)33-5)13-11-19-7-9-20(10-8-19)12-14-22-17-25(31-3)28(34-6)26(18-22)32-4/h7-18H,1-6H3/b13-11+,14-12+"	COC1=CC(=CC(=C1OC)OC)/C=C/C2=CC=C(C=C2)/C=C/C3=CC(=C(C(=C3)OC)OC)OC	GYBCOHLPFDSXRN-PHEQNACWSA-N
DG61864	"1'-(4-methylphenyl)sulfonyl-2'-phenyl-2-[(E)-2-phenylethenyl]spiro[indole-3,3'-pyrrolidine]"	5387833	"NSC627872; CHEMBL1991435; NSC-627872; 2'-phenyl-1'-(p-tolylsulfonyl)-2-[(E)-styryl]spiro[indole-3,3'-pyrrolidine]; Spiro[3H-indole-3,3'-pyrrolidine], 1'-[(4-methylphenyl)sulfonyl]-2'-phenyl-2-[(E)-2-phenylethenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627872	.	.	.	.	504.6	C32H28N2O2S	58.1	948	6.2	37	0	4	5	"InChI=1S/C32H28N2O2S/c1-24-16-19-27(20-17-24)37(35,36)34-23-22-32(31(34)26-12-6-3-7-13-26)28-14-8-9-15-29(28)33-30(32)21-18-25-10-4-2-5-11-25/h2-21,31H,22-23H2,1H3/b21-18+"	CC1=CC=C(C=C1)S(=O)(=O)N2CCC3(C2C4=CC=CC=C4)C5=CC=CC=C5N=C3/C=C/C6=CC=CC=C6	HWIKZZXDQOKZKI-DYTRJAOYSA-N
DG61865	1-Benzoyl-3-[(E)-2-nitroethenyl]-1H-indole	5387875	NSC629124; CHEMBL2005356; NSC-629124; 1-Benzoyl-3-[(E)-2-nitroethenyl]-1H-indole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629124	.	.	.	.	292.29	C17H12N2O3	67.8	451	3.8	22	0	3	2	InChI=1S/C17H12N2O3/c20-17(13-6-2-1-3-7-13)18-12-14(10-11-19(21)22)15-8-4-5-9-16(15)18/h1-12H/b11-10+	C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)/C=C/[N+](=O)[O-]	ZVRNPVWKMUSAJX-ZHACJKMWSA-N
DG61866	"2-[(dimethylamino)methyl]-3-[(Z)-heptadec-10-enyl]-5-methoxybenzene-1,4-diol;hydrochloride"	5387959	NSC630004; CHEMBL2002999; NSC-630004	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630004	.	.	.	.	470.1	C27H48ClNO3	52.9	440	.	32	3	4	18	"InChI=1S/C27H47NO3.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24(22-28(2)3)25(29)21-26(31-4)27(23)30;/h10-11,21,29-30H,5-9,12-20,22H2,1-4H3;1H/b11-10-;"	CCCCCC/C=C\\CCCCCCCCCC1=C(C(=CC(=C1O)OC)O)CN(C)C.Cl	IMAKMGXLOYZUNP-GMFCBQQYSA-N
DG61867	"2-[(dimethylamino)methyl]-3-[(Z)-heptadec-10-enyl]-5-methoxycyclohexa-2,5-diene-1,4-dione;hydrochloride"	5387996	NSC630511; CHEMBL1992712; NSC-630511	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630511	.	.	.	.	468.1	C27H46ClNO3	46.6	628	.	32	1	4	18	"InChI=1S/C27H45NO3.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24(22-28(2)3)25(29)21-26(31-4)27(23)30;/h10-11,21H,5-9,12-20,22H2,1-4H3;1H/b11-10-;"	CCCCCC/C=C\\CCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)CN(C)C.Cl	GUBDZQSALKKEII-GMFCBQQYSA-N
DG61868	"1-Piperidinecarboxylic acid, 4-oxo-3,5-bis(phenyl-methylene)-, ethyl ester"	5388001	"NSC630602; MLS000756760; SMR000529054; CHEMBL1986619; 1-Piperidinecarboxylic acid, 4-oxo-3,5-bis(phenyl- methylene)-, ethyl ester; HMS1538C02; HMS2886H08; ZINC5709639; AKOS002344950; NSC-630602; NCGC00174413-01; 1-Piperidinecarboxylic acid,5-bis(phenyl- methylene)-, ethyl ester; 3,5-Dibenzylidene-4-oxopiperidine-1-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630602	.	.	.	.	347.4	C22H21NO3	46.6	526	3.9	26	0	3	4	"InChI=1S/C22H21NO3/c1-2-26-22(25)23-15-19(13-17-9-5-3-6-10-17)21(24)20(16-23)14-18-11-7-4-8-12-18/h3-14H,2,15-16H2,1H3/b19-13+,20-14+"	CCOC(=O)N1C/C(=C\\C2=CC=CC=C2)/C(=O)/C(=C/C3=CC=CC=C3)/C1	DJIOYGAIBLADNB-IWGRKNQJSA-N
DG61869	"1-Piperidinecarboxylic acid,5-bis(phenyl-methylene)-, 4-methoxyphenyl ester"	5388004	"NSC630605; MLS002701641; CHEMBL1998423; ZINC5889698; NSC-630605; 1-Piperidinecarboxylic acid,5-bis(phenyl- methylene)-, 4-methoxyphenyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630605	.	.	.	.	425.5	C27H23NO4	55.8	667	5	32	0	4	5	"InChI=1S/C27H23NO4/c1-31-24-12-14-25(15-13-24)32-27(30)28-18-22(16-20-8-4-2-5-9-20)26(29)23(19-28)17-21-10-6-3-7-11-21/h2-17H,18-19H2,1H3/b22-16+,23-17+"	COC1=CC=C(C=C1)OC(=O)N2C/C(=C\\C3=CC=CC=C3)/C(=O)/C(=C/C4=CC=CC=C4)/C2	RTUXBVLRCHGASV-LKNRODPVSA-N
DG61870	"1-Piperidinecarboxylic acid,5-bis(phenylmethylene)-4-oxo-, 4-methylphenyl ester"	5388005	"NSC630606; CHEMBL2005249; NSC-630606; 1-Piperidinecarboxylic acid,5-bis(phenylmethylene)- 4-oxo-, 4-methylphenyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630606	.	.	.	.	409.5	C27H23NO3	46.6	649	5.4	31	0	3	4	"InChI=1S/C27H23NO3/c1-20-12-14-25(15-13-20)31-27(30)28-18-23(16-21-8-4-2-5-9-21)26(29)24(19-28)17-22-10-6-3-7-11-22/h2-17H,18-19H2,1H3/b23-16+,24-17+"	CC1=CC=C(C=C1)OC(=O)N2C/C(=C\\C3=CC=CC=C3)/C(=O)/C(=C/C4=CC=CC=C4)/C2	MLBBGBDJVSZUBN-WPHIWBHXSA-N
DG61871	"1-Piperidinecarboxylic acid,5-bis(phenylmethylene)-4-oxo-, phenylmethyl ester"	5388008	"NSC630609; CHEMBL1965868; NSC-630609; 1-Piperidinecarboxylic acid,5-bis(phenylmethylene)- 4-oxo-, phenylmethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630609	.	.	.	.	409.5	C27H23NO3	46.6	637	5	31	0	3	5	"InChI=1S/C27H23NO3/c29-26-24(16-21-10-4-1-5-11-21)18-28(19-25(26)17-22-12-6-2-7-13-22)27(30)31-20-23-14-8-3-9-15-23/h1-17H,18-20H2/b24-16+,25-17+"	C\\1N(C/C(=C\\C2=CC=CC=C2)/C(=O)/C1=C/C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4	CSPUMCDDBFCPRT-MUPYBJATSA-N
DG61872	"3-[(Z)-heptadec-10-enyl]-5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1,4-benzoquinone"	5388010	"NSC630732; CHEMBL2010158; ZINC73334786; 3-[(Z)-heptadec-10-enyl]-5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1,4-benzoquinone; 2-Methoxy-5-(4-methyl-1-piperazinyl) methyl-6- (10-heptadecenyl)-1,4-benzoquinone-(Z)-, hydrochloride hydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630732	.	.	.	.	486.7	C30H50N2O3	49.8	730	7.9	35	0	5	18	"InChI=1S/C30H50N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-27(25-32-22-20-31(2)21-23-32)28(33)24-29(35-3)30(26)34/h9-10,24H,4-8,11-23,25H2,1-3H3/b10-9-"	CCCCCC/C=C\\CCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)CN2CCN(CC2)C	PFAOMSOCYHTNSH-KTKRTIGZSA-N
DG61873	N-[4-[(Z)-(5-oxo-2-phenyl-oxazol-4-ylidene)methyl]phenyl]acetamide	5388013	"NSC630882; CHEMBL1970079; ZINC94101; AKOS008568032; NSC-630882; N-[4-[(Z)-(5-oxo-2-phenyl-oxazol-4-ylidene)methyl]phenyl]acetamide; N-{4-[(Z)-(5-Oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]phenyl}acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630882	.	.	.	.	306.3	C18H14N2O3	67.8	524	2.7	23	1	4	3	"InChI=1S/C18H14N2O3/c1-12(21)19-15-9-7-13(8-10-15)11-16-18(22)23-17(20-16)14-5-3-2-4-6-14/h2-11H,1H3,(H,19,21)/b16-11-"	CC(=O)NC1=CC=C(C=C1)/C=C\\2/C(=O)OC(=N2)C3=CC=CC=C3	FAGABTXSCPNPKD-WJDWOHSUSA-N
DG61874	N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-nitrophenyl)vinyl]benzamide	5388016	NSC630885; CHEMBL1978366; ZINC4567448; AKOS000671126; NSC-630885; N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-nitrophenyl)vinyl]benzamide; N-(1-(1H-Benzimidazol-2-yl)-2-(4-(hydroxy(oxido)amino)phenyl)vinyl)benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630885	.	.	.	.	384.4	C22H16N4O3	104	618	4.2	29	2	4	4	"InChI=1S/C22H16N4O3/c27-22(16-6-2-1-3-7-16)25-20(14-15-10-12-17(13-11-15)26(28)29)21-23-18-8-4-5-9-19(18)24-21/h1-14H,(H,23,24)(H,25,27)/b20-14-"	C1=CC=C(C=C1)C(=O)N/C(=C\\C2=CC=C(C=C2)[N+](=O)[O-])/C3=NC4=CC=CC=C4N3	RUMHRQWAARUWMQ-ZHZULCJRSA-N
DG61875	"(4Z)-4-[(2,5-dichlorophenyl)methylene]-2-phenyl-oxazol-5-one"	5388017	"NSC630887; CHEMBL2004188; NSC-630887; 4-(2,5-Dichlorobenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one; (4Z)-4-[(2,5-dichlorophenyl)methylene]-2-phenyl-oxazol-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630887	.	.	.	.	318.2	C16H9Cl2NO2	38.7	469	4.8	21	0	3	2	InChI=1S/C16H9Cl2NO2/c17-12-6-7-13(18)11(8-12)9-14-16(20)21-15(19-14)10-4-2-1-3-5-10/h1-9H/b14-9-	C1=CC=C(C=C1)C2=N/C(=C\\C3=C(C=CC(=C3)Cl)Cl)/C(=O)O2	UZTSALONRCHSCZ-ZROIWOOFSA-N
DG61876	"(E)-3,4,5-Trimethoxy-4'-ethoxystilbene"	5388060	"NSC631357; CHEMBL78319; SCHEMBL9186899; ZINC1622337; NSC-631357; (E)-3,4,5-Trimethoxy-4'-ethoxystilbene; 5-[2-(4-Ethoxyphenyl)Ethenyl]-1,3-Trimethoxy Benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631357	.	.	.	.	314.4	C19H22O4	36.9	335	4.4	23	0	4	7	"InChI=1S/C19H22O4/c1-5-23-16-10-8-14(9-11-16)6-7-15-12-17(20-2)19(22-4)18(13-15)21-3/h6-13H,5H2,1-4H3/b7-6+"	CCOC1=CC=C(C=C1)/C=C/C2=CC(=C(C(=C2)OC)OC)OC	DSXJJVAVIOTERY-VOTSOKGWSA-N
DG61877	"(Z)-4'-Hydroxy-3,4,5-trimethoxystilbene"	5388061	"NSC631360; CHEMBL87210; SCHEMBL5071081; ZINC5890470; NSC-631360; (Z)-4'-Hydroxy-3,4,5-trimethoxystilbene; 4'-hydroxy-3,4,5-trimethoxy-(z)-stilbene; 4-[2-(3,5-Trimethoxyphenyl)Ethenyl(2)]Phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631360	.	.	.	.	286.32	C17H18O4	47.9	309	3.8	21	1	4	5	"InChI=1S/C17H18O4/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h4-11,18H,1-3H3/b5-4-"	COC1=CC(=CC(=C1OC)OC)/C=C\\C2=CC=C(C=C2)O	PGNACKMMQGBVTN-PLNGDYQASA-N
DG61878	"3,4,5,4'-Tetramethoxystilbene"	5388065	"134029-62-2; DMU-212; 3,4,5,4'-tetramethoxystilbene; 3,4,5,4/'-Tetramethoxystilbene; 134029-49-5; (E)-3,4,5,4'-Tetramethoxystilbene; CHEMBL87982; 1,2,3-trimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene; (Z)-1,2,3-Trimethoxy-5-(4-methoxystyryl)benzene; 1-(4-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene; trans-3,4,5,4'-tetramethoxystilbene; DMU 212; PETHIDINICACID; DMU-212resveratrol analog; SCHEMBL1394054; BDBM50229491; NSC631365; ZINC13823937; 10E-3,4,4',5-tetramethoxystilbene; AKOS015911629; ACN-041475; NSC-631365; 3,4,4',5-Tetramethoxy-trans-stilbene; 3,4,5,4'-tetramethoxy-trans-stilbene; AC-24228; (E)-3,4,5,4''''-Tetramethoxystilbene; (e)-3,4,5-trimethoxy-4'-methoxystilbene; 10E-3,4,4'''',5-Tetramethoxystilbene; HY-137977; CS-0143458; (Z)-3,4,5,4'-TETRAMETHOXYSTILBENE; 5-[2-(4-Methoxyphenyl)Ethenyl]-1,3-Trimethoxy Benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631365	.	.	.	.	300.3	C18H20O4	36.9	322	4.1	22	0	4	6	"InChI=1S/C18H20O4/c1-19-15-9-7-13(8-10-15)5-6-14-11-16(20-2)18(22-4)17(12-14)21-3/h5-12H,1-4H3/b6-5+"	COC1=CC=C(C=C1)/C=C/C2=CC(=C(C(=C2)OC)OC)OC	GGFQQRXTLIJXNY-AATRIKPKSA-N
DG61879	"1,2-dimethyl-4,5-bis[[(E)-2-(2-nitrophenyl)vinyl]sulfonylmethyl]benzene"	5388090	"NSC631691; CHEMBL1972086; NSC-631691; 1,2-dimethyl-4,5-bis[[(E)-2-(2-nitrophenyl)vinyl]sulfonylmethyl]benzene; Hydroxy(2-(2-((2-(((2-(2-(hydroxy(oxido)amino)phenyl)vinyl)sulfonyl)methyl)-4,5-dimethylbenzyl)sulfonyl)vinyl)phenyl)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631691	.	.	.	.	556.6	C26H24N2O8S2	177	1010	4.6	38	0	8	8	"InChI=1S/C26H24N2O8S2/c1-19-15-23(17-37(33,34)13-11-21-7-3-5-9-25(21)27(29)30)24(16-20(19)2)18-38(35,36)14-12-22-8-4-6-10-26(22)28(31)32/h3-16H,17-18H2,1-2H3/b13-11+,14-12+"	CC1=CC(=C(C=C1C)CS(=O)(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-])CS(=O)(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-]	QZEQMFAYAIAGRB-PHEQNACWSA-N
DG61880	"2,4-Dichloro-1-(2-((2-(((2-(2,4-dichlorophenyl)vinyl)sulfonyl)methyl)benzyl)sulfonyl)vinyl)benzene"	5388091	"NSC631692; CHEMBL1979112; ZINC1622498; NSC-631692; 2,4-Dichloro-1-(2-((2-(((2-(2,4-dichlorophenyl)vinyl)sulfonyl)methyl)benzyl)sulfonyl)vinyl)benzene; 2,4-dichloro-1-[(E)-2-[[2-[[(E)-2-(2,4-dichlorophenyl)vinyl]sulfonylmethyl]phenyl]methylsulfonyl]vinyl]benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631692	.	.	.	.	576.3	C24H18Cl4O4S2	85	848	6.7	34	0	4	8	"InChI=1S/C24H18Cl4O4S2/c25-21-7-5-17(23(27)13-21)9-11-33(29,30)15-19-3-1-2-4-20(19)16-34(31,32)12-10-18-6-8-22(26)14-24(18)28/h1-14H,15-16H2/b11-9+,12-10+"	C1=CC=C(C(=C1)CS(=O)(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl)CS(=O)(=O)/C=C/C3=C(C=C(C=C3)Cl)Cl	YKDUYNZYHBPQJN-WGDLNXRISA-N
DG61881	Hydroxy[4-(2-carbamoyl-2-cyanoethenyl)phenyl]methylphosphonic acid	5388097	NSC631880; CHEMBL2000986; NSC-631880; Hydroxy[4-(2-carbamoyl-2-cyanoethenyl)phenyl]methylphosphonic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631880	.	.	.	.	282.19	C11H11N2O5P	145	467	-1.4	19	4	6	4	"InChI=1S/C11H11N2O5P/c12-6-9(10(13)14)5-7-1-3-8(4-2-7)11(15)19(16,17)18/h1-5,11,15H,(H2,13,14)(H2,16,17,18)/b9-5+"	C1=CC(=CC=C1/C=C(\\C#N)/C(=O)N)C(O)P(=O)(O)O	SMADCEBBMDVFEP-WEVVVXLNSA-N
DG61882	"(E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile"	5388136	"NSC632129; CHEMBL1976508; SCHEMBL10413023; NSC-632129; (E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632129	.	.	.	.	161.16	C9H7NO2	44.8	216	1.4	12	2	3	1	"InChI=1S/C9H7NO2/c1-10-5-4-7-6-8(11)2-3-9(7)12/h2-6,11-12H/b5-4+"	[C-]#[N+]/C=C/C1=C(C=CC(=C1)O)O	ABVUUDRCDTZFOJ-SNAWJCMRSA-N
DG61883	"(E)-1-[2-(1H-indol-3-yl)indolin-1-yl]-2,3-diphenyl-prop-2-en-1-one"	5388203	"NSC633483; CHEMBL1970669; NSC-633483; (E)-1-[2-(1H-indol-3-yl)indolin-1-yl]-2,3-diphenyl-prop-2-en-1-one; 2,3'-Bi-1H-indole, 2,3-dihydro-1-[(2E)-1-oxo-2,3-diphenyl-2-propenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633483	.	.	.	.	440.5	C31H24N2O	36.1	734	6.7	34	1	1	4	"InChI=1S/C31H24N2O/c34-31(26(23-13-5-2-6-14-23)19-22-11-3-1-4-12-22)33-29-18-10-7-15-24(29)20-30(33)27-21-32-28-17-9-8-16-25(27)28/h1-19,21,30,32H,20H2/b26-19+"	C1C(N(C2=CC=CC=C21)C(=O)/C(=C/C3=CC=CC=C3)/C4=CC=CC=C4)C5=CNC6=CC=CC=C65	KHXLHKWBDXAZSK-LGUFXXKBSA-N
DG61884	(E)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)indolin-1-yl]but-2-en-1-one	5388204	"NSC633484; CHEMBL1995717; NSC-633484; (E)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)indolin-1-yl]but-2-en-1-one; 2,3'-Bi-1H-indole, 2,3-dihydro-2'-methyl-1-[(2E)-2-methyl-1-oxo-2-butenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633484	.	.	.	.	330.4	C22H22N2O	36.1	542	4.6	25	1	1	2	"InChI=1S/C22H22N2O/c1-4-14(2)22(25)24-19-12-8-5-9-16(19)13-20(24)21-15(3)23-18-11-7-6-10-17(18)21/h4-12,20,23H,13H2,1-3H3/b14-4+"	C/C=C(\\C)/C(=O)N1C(CC2=CC=CC=C21)C3=C(NC4=CC=CC=C43)C	ADJKOMYUQDNKDG-LNKIKWGQSA-N
DG61885	"4-Hydroxy-3-methylene-2,2,10-trimethyl-2,3-dihydrofuro[3,2-b]acridin-5(10H)-one"	5388212	"NSC633785; CHEMBL1975661; NSC-633785; NCI60_011229; 4-Hydroxy-3-methylene-2,10-trimethyl-2,3-dihydrofuro [3,2-b]acridin-5(10H)-one; 4-Hydroxy-3-methylene-2,2,10-trimethyl-2,3-dihydrofuro[3,2-b]acridin-5(10H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633785	.	.	.	.	307.3	C19H17NO3	49.8	543	3.8	23	1	4	0	"InChI=1S/C19H17NO3/c1-10-15-14(23-19(10,2)3)9-13-16(18(15)22)17(21)11-7-5-6-8-12(11)20(13)4/h5-9,22H,1H2,2-4H3"	CC1(C(=C)C2=C(O1)C=C3C(=C2O)C(=O)C4=CC=CC=C4N3C)C	ABCWGWBKQHODBV-UHFFFAOYSA-N
DG61886	"(6Z)-6-[(2-nitrophenyl)methylene]-3-(3-pyridyl)thiazolo[2,3-c][1,2,4]triazol-5-one"	5388226	"NSC633925; CHEMBL1970283; ZINC1623192; NSC-633925; (6Z)-6-[(2-nitrophenyl)methylene]-3-(3-pyridyl)thiazolo[2,3-c][1,2,4]triazol-5-one; (6Z)-6-(2-Nitrobenzylidene)-3-pyridin-3-yl[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633925	.	.	.	.	351.3	C16H9N5O3S	132	581	2.5	25	0	7	2	InChI=1S/C16H9N5O3S/c22-15-13(8-10-4-1-2-6-12(10)21(23)24)25-16-19-18-14(20(15)16)11-5-3-7-17-9-11/h1-9H/b13-8-	C1=CC=C(C(=C1)/C=C\\2/C(=O)N3C(=NN=C3S2)C4=CN=CC=C4)[N+](=O)[O-]	FSRJYDVLVFHNDO-JYRVWZFOSA-N
DG61887	"(2-(1,3-Benzodioxol-5-yl)-2-(tributylstannyl)vinyl)(dimethyl)phenylsilane"	5388266	"NSC634285; (2-(1,3-Benzodioxol-5-yl)-2-(tributylstannyl)vinyl)(dimethyl)phenylsilane; NSC-634285; [(E)-2-(1,3-benzodioxol-5-yl)-2-tributylstannyl-vinyl]-dimethyl-phenyl-silane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634285	.	.	.	.	571.5	C29H44O2SiSn	18.5	577	.	33	0	2	13	"InChI=1S/C17H17O2Si.3C4H9.Sn/c1-20(2,15-6-4-3-5-7-15)11-10-14-8-9-16-17(12-14)19-13-18-16;3*1-3-4-2;/h3-9,11-12H,13H2,1-2H3;3*1,3-4H2,2H3;"	CCCC[Sn](CCCC)(CCCC)/C(=C/[Si](C)(C)C1=CC=CC=C1)/C2=CC3=C(C=C2)OCO3	OSRAMUCQUMDQML-UHFFFAOYSA-N
DG61888	2-Benzylideneacetoacetanilide	5388295	"NSC634644; 2-Benzylideneacetoacetanilide; CHEMBL1966841; 2-Acetyl-N,3-diphenylacrylamide; ZINC5722099; NSC-634644; (2E)-2-benzylidene-3-oxo-N-phenyl-butanamide; 3532-54-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634644	.	.	.	.	265.31	C17H15NO2	46.2	375	3.4	20	1	2	4	"InChI=1S/C17H15NO2/c1-13(19)16(12-14-8-4-2-5-9-14)17(20)18-15-10-6-3-7-11-15/h2-12H,1H3,(H,18,20)/b16-12+"	CC(=O)/C(=C\\C1=CC=CC=C1)/C(=O)NC2=CC=CC=C2	YOKQJHMGPPUVAM-FOWTUZBSSA-N
DG61889	2-Acetyl-N-(2-methoxyphenyl)-3-phenylacrylamide	5388297	NSC634647; CHEMBL2005506; ZINC5722103; NSC-634647; 2-Acetyl-N-(2-methoxyphenyl)-3-phenylacrylamide; (2E)-2-benzylidene-N-(2-methoxyphenyl)-3-oxo-butanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634647	.	.	.	.	295.3	C18H17NO3	55.4	424	3.6	22	1	3	5	"InChI=1S/C18H17NO3/c1-13(20)15(12-14-8-4-3-5-9-14)18(21)19-16-10-6-7-11-17(16)22-2/h3-12H,1-2H3,(H,19,21)/b15-12+"	CC(=O)/C(=C\\C1=CC=CC=C1)/C(=O)NC2=CC=CC=C2OC	PJRWHZLENITDDI-NTCAYCPXSA-N
DG61890	"3-[(6Z)-6-[(2,4-dichlorophenyl)methylene]-5-oxo-thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,4,5-trichlorophenyl)propanamide"	5388306	"NSC634667; CHEMBL1997636; ZINC1624123; NSC-634667; 3-(6-(2,4-Dichlorobenzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(2,4,5-trichlorophenyl)propanamide; 3-[(6Z)-6-[(2,4-dichlorophenyl)methylene]-5-oxo-thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,4,5-trichlorophenyl)propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634667	.	.	.	.	548.7	C20H11Cl5N4O2S	102	762	6.3	32	1	5	5	"InChI=1S/C20H11Cl5N4O2S/c21-10-2-1-9(11(22)6-10)5-16-19(31)29-17(27-28-20(29)32-16)3-4-18(30)26-15-8-13(24)12(23)7-14(15)25/h1-2,5-8H,3-4H2,(H,26,30)/b16-5-"	C1=CC(=C(C=C1Cl)Cl)/C=C\\2/C(=O)N3C(=NN=C3S2)CCC(=O)NC4=CC(=C(C=C4Cl)Cl)Cl	XEDMPWJCRXPRIG-BNCCVWRVSA-N
DG61891	"N'-[(E)-1-(3-methyl-4H-1,4-benzothiazin-2-yl)ethylideneamino]oxamide"	5388348	"NSC635134; NSC-635134; NCI60_011680; N'-[(E)-1-(3-methyl-4H-1,4-benzothiazin-2-yl)ethylideneamino]oxamide; 2-{(2E)-2-[1-(3-Methyl-4H-1,4-benzothiazin-2-yl)ethylidene]hydrazino}-2-oxoacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635134	.	.	.	.	290.34	C13H14N4O2S	122	487	2	20	3	5	2	"InChI=1S/C13H14N4O2S/c1-7-11(8(2)16-17-13(19)12(14)18)20-10-6-4-3-5-9(10)15-7/h3-6,16H,1-2H3,(H2,14,18)(H,17,19)/b11-8-"	CC\\1=NC2=CC=CC=C2S/C1=C(/C)\\NNC(=O)C(=O)N	KXXSQSKVABCJNV-FLIBITNWSA-N
DG61892	"3-[(6Z)-6-benzylidene-5-oxo-thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,5-dichlorophenyl)propanamide"	5388395	"NSC635550; CHEMBL1986665; ZINC644834; NSC-635550; 3-(6-Benzylidene-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(2,5-dichlorophenyl)propanamide; 3-[(6Z)-6-benzylidene-5-oxo-thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,5-dichlorophenyl)propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635550	.	.	.	.	445.3	C20H14Cl2N4O2S	102	658	4.4	29	1	5	5	"InChI=1S/C20H14Cl2N4O2S/c21-13-6-7-14(22)15(11-13)23-18(27)9-8-17-24-25-20-26(17)19(28)16(29-20)10-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,23,27)/b16-10-"	C1=CC=C(C=C1)/C=C\\2/C(=O)N3C(=NN=C3S2)CCC(=O)NC4=C(C=CC(=C4)Cl)Cl	UACMQTLRFLWSIU-YBEGLDIGSA-N
DG61893	"Tetrakis(pentane-2,4-dionato)zirconium(IV)"	5388409	"NSC635900; NSC-635900; Tetrakis(pentane-2,4-dionato)zirconium(IV)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635900	.	.	.	.	487.7	C20H28O8Zr	149	538	.	29	0	10	2	"InChI=1S/2C5H8O2.2C5H7O2.Zr/c4*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;2*3H,1-2H3;/q;;2*-1;+4/p-2/b2*4-3-;;;"	CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Zr+4]	JZKGDVHMAIKBGX-VGKOASNMSA-L
DG61894	"(E)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one"	5388422	"NSC635957; CHEMBL1973512; (E)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one; ZINC4582832; AKOS022954165; NSC-635957; 3,4-DICHLORO-4'-FLUOROCHALCONE; 3-(3,4-Dichlorophenyl)-1-(4-fluorophenyl)-2-propen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635957	.	.	.	.	295.1	C15H9Cl2FO	17.1	337	5	19	0	2	3	InChI=1S/C15H9Cl2FO/c16-13-7-1-10(9-14(13)17)2-8-15(19)11-3-5-12(18)6-4-11/h1-9H/b8-2+	C1=CC(=CC=C1C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl)F	ZBJPOWYVNNEFRF-KRXBUXKQSA-N
DG61895	(E)-4-(3-thionitrosophenyl)but-3-en-2-one	5388423	NSC635958; (E)-4-(3-thionitrosophenyl)but-3-en-2-one; CHEMBL1968643; ZINC5601799; NSC-635958; 4-(3-(Thioxoamino)phenyl)-3-buten-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635958	.	.	.	.	191.25	C10H9NOS	61.5	225	3.1	13	0	3	2	"InChI=1S/C10H9NOS/c1-8(12)5-6-9-3-2-4-10(7-9)11-13/h2-7H,1H3/b6-5+"	CC(=O)/C=C/C1=CC(=CC=C1)N=S	KOHZLWLARBLXOT-AATRIKPKSA-N
DG61896	"(2E)-1-(2,4-dichlorophenyl)-3-phenylprop-2-en-1-one"	5388428	"2',4'-dichlorochalcone; NSC635963; (2E)-1-(2,4-dichlorophenyl)-3-phenylprop-2-en-1-one; 19738-89-7; CHEMBL1689033; SCHEMBL22264064; ZINC5722631; MFCD07783027; AKOS015914866; NSC-635963; 1-(2,4-Dichlorophenyl)-3-phenyl-2-propen-1-one; (E)-1-(2,4-Dichlorophenyl)-3-phenyl-2-propene-1-one; (E)-1-(2,4-dichlorophenyl)-3-phenyl-prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635963	.	.	.	.	277.1	C15H10Cl2O	17.1	308	4.9	18	0	1	3	InChI=1S/C15H10Cl2O/c16-12-7-8-13(14(17)10-12)15(18)9-6-11-4-2-1-3-5-11/h1-10H/b9-6+	C1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)Cl)Cl	MAHZJRXLVQTYEA-RMKNXTFCSA-N
DG61897	N-(4-Chlorophenyl)-2-((6-(2-(3-(hydroxy(oxido)amino)phenyl)vinyl)-2-mercapto-4-pyrimidinyl)carbonyl)hydrazinecarboxamide	5388439	NSC636120; CHEMBL2006193; SCHEMBL18400517; SCHEMBL18400522; ZINC5722680; NSC-636120; 1-(4-chlorophenyl)-3-[[6-[(E)-2-(3-nitrophenyl)vinyl]-2-sulfanyl-pyrimidine-4-carbonyl]amino]urea; N-(4-Chlorophenyl)-2-((6-(2-(3-(hydroxy(oxido)amino)phenyl)vinyl)-2-mercapto-4-pyrimidinyl)carbonyl)hydrazinecarboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636120	.	.	.	.	470.9	C20H15ClN6O4S	173	848	3.2	32	4	5	4	"InChI=1S/C20H15ClN6O4S/c21-13-5-8-14(9-6-13)22-19(29)26-25-18(28)17-11-15(23-20(32)24-17)7-4-12-2-1-3-16(10-12)27(30)31/h1-11H,(H,25,28)(H2,22,26,29)(H,23,24,32)/b7-4+"	C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C2=CC(=NC(=S)N2)C(=O)NNC(=O)NC3=CC=C(C=C3)Cl	ZXSOAHFHWNCIFL-QPJJXVBHSA-N
DG61898	"4-Oxo-4-(1H-1,2,4-triazol-5-ylamino)-2-butenoic acid"	5388444	"NSC636338; 4-Oxo-4-(1H-1,2,4-triazol-5-ylamino)-2-butenoic acid; NSC-636338; CHEMBL1986072; (E)-4-oxo-4-(1H-1,2,4-triazol-5-ylamino)but-2-enoic acid; ZINC3954662; CCG-38172; NCI636338; STK032387; (2E)-4-oxo-4-(1H-1,2,4-triazol-3-ylamino)but-2-enoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636338	.	.	.	.	182.14	C6H6N4O3	108	240	-0.7	13	3	5	3	"InChI=1S/C6H6N4O3/c11-4(1-2-5(12)13)9-6-7-3-8-10-6/h1-3H,(H,12,13)(H2,7,8,9,10,11)/b2-1+"	C1=NNC(=N1)NC(=O)/C=C/C(=O)O	RJXGFRWICKNRQD-OWOJBTEDSA-N
DG61899	"N-(8-(Hydroxy(oxido)amino)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-3-phenylacrylamide"	5388449	"NSC636378; CHEMBL1988763; NSC-636378; (E)-N-(8-nitro-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)-3-phenyl-prop-2-enamide; N-(8-(Hydroxy(oxido)amino)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-3-phenylacrylamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636378	.	.	.	.	350.3	C18H14N4O4	116	607	1.8	26	2	5	3	"InChI=1S/C18H14N4O4/c23-17(9-6-12-4-2-1-3-5-12)20-16-11-19-14-8-7-13(22(25)26)10-15(14)21-18(16)24/h1-11,16H,(H,20,23)(H,21,24)/b9-6+"	C1=CC=C(C=C1)/C=C/C(=O)NC2C=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O	GFRDFQRMERFAFB-RMKNXTFCSA-N
DG61900	(Z)-2-chloro-1-[2-(2-methyl-1H-indol-3-yl)indolin-1-yl]-3-phenyl-prop-2-en-1-one	5388493	"NSC636506; CHEMBL1978913; NSC-636506; (Z)-2-chloro-1-[2-(2-methyl-1H-indol-3-yl)indolin-1-yl]-3-phenyl-prop-2-en-1-one; 2,3'-Bi-1H-indole, 1-[(2Z)-2-chloro-1-oxo-3-phenyl-2-propenyl]-2,3-dihydro-2'-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636506	.	.	.	.	412.9	C26H21ClN2O	36.1	657	6.3	30	1	1	3	"InChI=1S/C26H21ClN2O/c1-17-25(20-12-6-7-13-22(20)28-17)24-16-19-11-5-8-14-23(19)29(24)26(30)21(27)15-18-9-3-2-4-10-18/h2-15,24,28H,16H2,1H3/b21-15-"	CC1=C(C2=CC=CC=C2N1)C3CC4=CC=CC=C4N3C(=O)/C(=C/C5=CC=CC=C5)/Cl	NFQJXJCBMWOQDW-QNGOZBTKSA-N
DG61901	"1-[(Z)-1-chloro-2-[4-[(Z)-2-chloro-2-(2,4-dinitrophenyl)vinyl]phenyl]vinyl]-2,4-dinitro-benzene"	5388495	"NSC636510; CHEMBL1975581; ZINC68563501; NSC-636510; Benzene, 1,1'-[1,4-phenylenebis[(Z)-1-chloro-2,1-ethenediyl]]bis[2,4-dinitro-; 1-[(Z)-1-chloro-2-[4-[(Z)-2-chloro-2-(2,4-dinitrophenyl)vinyl]phenyl]vinyl]-2,4-dinitro-benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636510	.	.	.	.	531.3	C22H12Cl2N4O8	183	841	6.6	36	0	8	4	"InChI=1S/C22H12Cl2N4O8/c23-19(17-7-5-15(25(29)30)11-21(17)27(33)34)9-13-1-2-14(4-3-13)10-20(24)18-8-6-16(26(31)32)12-22(18)28(35)36/h1-12H/b19-9-,20-10-"	C1=CC(=CC=C1/C=C(\\Cl)/C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C=C(\\Cl)/C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]	QMZVNISRQXPNKX-QJUDHZBZSA-N
DG61902	"(E)-2-cyano-3-(2,3-dihydroxyphenyl)prop-2-enamide"	5388677	NSC638075; SCHEMBL8743681; CHEMBL2001845; NSC-638075	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638075	.	.	.	.	204.18	C10H8N2O3	107	329	0.4	15	3	4	2	"InChI=1S/C10H8N2O3/c11-5-7(10(12)15)4-6-2-1-3-8(13)9(6)14/h1-4,13-14H,(H2,12,15)/b7-4+"	C1=CC(=C(C(=C1)O)O)/C=C(\\C#N)/C(=O)N	RNKOYWSNFNFFMS-QPJJXVBHSA-N
DG61903	"(E)-2-cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enamide"	5388680	"NSC638080; MLS000756796; CHEMBL136344; NSC-638080; cid_367901; (E)-2-cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enamide; cid_5388680; HMS2880C22; ZINC1625418; BDBM50046757; SMR000529072; 2-Cyano-3-(3,4,5-trihydroxyphenyl)acrylamide; 2-Cyano-3-(3,4,5-trihydroxy-phenyl)-acrylamide; (E)-2-Cyano-3-(3,4,5-trihydroxyphenyl)propenamide; 2-Propenamide, 2-cyano-3-(3,4,5-trihydroxyphenyl)-; 134604-46-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638080	.	.	.	.	220.18	C10H8N2O4	128	345	0.1	16	4	5	2	"InChI=1S/C10H8N2O4/c11-4-6(10(12)16)1-5-2-7(13)9(15)8(14)3-5/h1-3,13-15H,(H2,12,16)/b6-1+"	C1=C(C=C(C(=C1O)O)O)/C=C(\\C#N)/C(=O)N	IZDSLPGXLRWXIF-LZCJLJQNSA-N
DG61904	Visoltricin	5388713	"Visoltricin; 139874-44-5; NSC638260; methyl (E)-3-[3-methyl-5-(3-methylbut-2-enyl)imidazol-4-yl]prop-2-enoate; CHEMBL1990087; NSC-638260; 3-(1-Methyl-4-(3-methyl-2-butenyl)imidazol-5-yl)-2-propenoic acid methyl ester; Methyl (E)-3-(1-methyl-4-(3-methyl-2-butenyl)-1H-imidazol-5-yl)-2-propenoate; Methyl 3-(1-methyl-4-(3-methyl-2-butenyl)-1H-imidazol-5-yl)acrylate; 3-[4-(3-Methyl-2-butenyl)-1-methyl-1H-imidazol-5-yl]propenoic acid methyl ester; 2-Propenoic acid, 3-(1-methyl-4-(3-methyl-2-butenyl)-1H-imidazol-5-yl)-, methyl ester, (E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638260	.	.	.	.	234.29	C13H18N2O2	44.1	319	2.3	17	0	3	5	"InChI=1S/C13H18N2O2/c1-10(2)5-6-11-12(15(3)9-14-11)7-8-13(16)17-4/h5,7-9H,6H2,1-4H3/b8-7+"	CC(=CCC1=C(N(C=N1)C)/C=C/C(=O)OC)C	LFPQYOYKAPGCGM-BQYQJAHWSA-N
DG61905	"(Z)-2',3,4,5-Tetramethoxystilbene"	5388740	"NSC638390; CHEMBL313597; SCHEMBL9184610; (Z) 2',4,5-Tetramethoxystilbene; ZINC5808056; (Z)-2',3,4,5-Tetramethoxystilbene; NSC-638390"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638390	.	.	.	.	300.3	C18H20O4	36.9	330	4.1	22	0	4	6	"InChI=1S/C18H20O4/c1-19-15-8-6-5-7-14(15)10-9-13-11-16(20-2)18(22-4)17(12-13)21-3/h5-12H,1-4H3/b10-9-"	COC1=CC=CC=C1/C=C\\C2=CC(=C(C(=C2)OC)OC)OC	OTYSBQKXEWBXFR-KTKRTIGZSA-N
DG61906	"(E)-3,4,5-Trimethoxy-4'-propyloxystilbene"	5388748	"NSC638403; CHEMBL74103; SCHEMBL9185973; SCHEMBL9191968; ZINC1625549; NSC-638403; (E)-3,4,5-Trimethoxy-4'-propyloxystilbene; (E)3,5-Trimethoxy-4'-(1-propoxy)stilbene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638403	.	.	.	.	328.4	C20H24O4	36.9	349	5	24	0	4	8	"InChI=1S/C20H24O4/c1-5-12-24-17-10-8-15(9-11-17)6-7-16-13-18(21-2)20(23-4)19(14-16)22-3/h6-11,13-14H,5,12H2,1-4H3/b7-6+"	CCCOC1=CC=C(C=C1)/C=C/C2=CC(=C(C(=C2)OC)OC)OC	XJXIXACLJGGNEX-VOTSOKGWSA-N
DG61907	"(Z)-3,4,5-Trimethoxy-4'-ethoxystilbene"	5388749	"CHEMBL75283; SCHEMBL660135; NSC638404; ZINC13456746; NSC-638404; (Z)-3,4,5-Trimethoxy-4'-ethoxystilbene; (Z)3,5-TRIMETHOXY-4'-ETHOXYSTILBENE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638404	.	.	.	.	314.4	C19H22O4	36.9	335	4.4	23	0	4	7	"InChI=1S/C19H22O4/c1-5-23-16-10-8-14(9-11-16)6-7-15-12-17(20-2)19(22-4)18(13-15)21-3/h6-13H,5H2,1-4H3/b7-6-"	CCOC1=CC=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC	DSXJJVAVIOTERY-SREVYHEPSA-N
DG61908	"(E)Methyl-3-(4-methoxyphenyl)-2-(3,5-trimethoxyphenyl) prop-2-enoate"	5388752	"NSC638407; CHEMBL73262; NSC-638407; (E)Methyl-3-(4-methoxyphenyl)-2-(3,5-trimethoxyphenyl) prop-2-enoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638407	.	.	.	.	358.4	C20H22O6	63.2	455	3.7	26	0	6	8	"InChI=1S/C20H22O6/c1-22-15-8-6-13(7-9-15)10-16(20(21)26-5)14-11-17(23-2)19(25-4)18(12-14)24-3/h6-12H,1-5H3/b16-10+"	COC1=CC=C(C=C1)/C=C(\\C2=CC(=C(C(=C2)OC)OC)OC)/C(=O)OC	NIBDHUAZTRXCIS-MHWRWJLKSA-N
DG61909	"2-(3,4,5-Trimethoxyphenyl)-3-(4-methoxyphenyl)acrylic acid 2-(diethylamino)ethyl ester"	5388753	"NSC638408; CHEMBL307907; NSC-638408; (E) (2-Diethylaminoethyl)-3-(4-methoxyphenyl)-2-(3,5- trimethoxyphenyl)prop-2-enoate; 2-(3,4,5-Trimethoxyphenyl)-3-(4-methoxyphenyl)acrylic acid 2-(diethylamino)ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638408	.	.	.	.	443.5	C25H33NO6	66.5	557	4.5	32	0	7	13	"InChI=1S/C25H33NO6/c1-7-26(8-2)13-14-32-25(27)21(15-18-9-11-20(28-3)12-10-18)19-16-22(29-4)24(31-6)23(17-19)30-5/h9-12,15-17H,7-8,13-14H2,1-6H3/b21-15+"	CCN(CC)CCOC(=O)/C(=C/C1=CC=C(C=C1)OC)/C2=CC(=C(C(=C2)OC)OC)OC	GFTYBVUQAYPGNQ-RCCKNPSSSA-N
DG61910	"N-Ethyl-2-(3,4,5-trimethoxyphenyl)-3-(4-methoxyphenyl)acrylamide"	5388754	"NSC638409; CHEMBL75426; SCHEMBL9267274; SCHEMBL9267281; NSC-638409; N-Ethyl-2-(3,4,5-trimethoxyphenyl)-3-(4-methoxyphenyl)acrylamide; (E)N-Ethyl-[3-(4-methoxyphenyl)-2-(3,5-trimethoxyphenyl) prop-2-enoamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638409	.	.	.	.	371.4	C21H25NO5	66	473	3.5	27	1	5	8	"InChI=1S/C21H25NO5/c1-6-22-21(23)17(11-14-7-9-16(24-2)10-8-14)15-12-18(25-3)20(27-5)19(13-15)26-4/h7-13H,6H2,1-5H3,(H,22,23)/b17-11+"	CCNC(=O)/C(=C/C1=CC=C(C=C1)OC)/C2=CC(=C(C(=C2)OC)OC)OC	OKJGGWPYSHLZSO-GZTJUZNOSA-N
DG61911	"(E)n-Methyl-[3-(4-methoxyphenyl)-2-(3,5-trimethoxyphenyl) prop-2-enoamide"	5388755	"NSC638410; CHEMBL74731; SCHEMBL9258687; SCHEMBL9258694; NSC-638410; (E)n-Methyl-[3-(4-methoxyphenyl)-2-(3,5-trimethoxyphenyl) prop-2-enoamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638410	.	.	.	.	357.4	C20H23NO5	66	459	3.1	26	1	5	7	"InChI=1S/C20H23NO5/c1-21-20(22)16(10-13-6-8-15(23-2)9-7-13)14-11-17(24-3)19(26-5)18(12-14)25-4/h6-12H,1-5H3,(H,21,22)/b16-10+"	CNC(=O)/C(=C/C1=CC=C(C=C1)OC)/C2=CC(=C(C(=C2)OC)OC)OC	KMVBZDDRSWCFSM-MHWRWJLKSA-N
DG61912	"(Z)-3,4,5-Trimethoxystilbene"	5388756	"CHEMBL87162; NSC638411; (Z)3,5-Trimethoxystilbene; cis-3,4,5-trimethoxystilbene; SCHEMBL9184995; (Z)-3,4,5-Trimethoxystilbene; ZINC5808068; BDBM50229501; NSC-638411"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638411	.	.	.	.	270.32	C17H18O3	27.7	283	4.1	20	0	3	5	"InChI=1S/C17H18O3/c1-18-15-11-14(12-16(19-2)17(15)20-3)10-9-13-7-5-4-6-8-13/h4-12H,1-3H3/b10-9-"	COC1=CC(=CC(=C1OC)OC)/C=C\\C2=CC=CC=C2	CMQGCWMEXQRWSS-KTKRTIGZSA-N
DG61913	"methyl (2E,4E,6E,8E)-9-(4-ethynyl-1,3,5-trimethylpyrrol-2-yl)-3,7-dimethylnona-2,4,6,8-tetraenoate"	5388757	"NSC638462; CHEMBL2001036; NSC-638462; (2E,4E,6E,8E)-3,7-Dimethyl-9-(1,3,5-trimethyl-4-ethynyl-1H-pyrrol-2-yl)-2,4,6,8-nonatetraenoic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638462	.	.	.	.	323.4	C21H25NO2	31.2	615	5.2	24	0	2	7	"InChI=1S/C21H25NO2/c1-8-19-17(4)20(22(6)18(19)5)13-12-15(2)10-9-11-16(3)14-21(23)24-7/h1,9-14H,2-7H3/b11-9+,13-12+,15-10+,16-14+"	CC1=C(N(C(=C1C#C)C)C)/C=C/C(=C/C=C/C(=C/C(=O)OC)/C)/C	MHDOKRPIVXSMRQ-GDKHOTECSA-N
DG61914	"(Z)-3,4,5-Trimethoxy-4'-methylstilbene"	5388767	"SS28; NSC638485; CHEMBL308075; SCHEMBL9186173; ZINC17160; NSC-638485; (Z)-3,4,5-Trimethoxy-4'-methylstilbene; HY-100761; CS-0020249; (Z)3,5-TRIMETHOXY-4'-METHYLSTILBENE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638485	.	.	.	.	284.3	C18H20O3	27.7	306	4.5	21	0	3	5	"InChI=1S/C18H20O3/c1-13-5-7-14(8-6-13)9-10-15-11-16(19-2)18(21-4)17(12-15)20-3/h5-12H,1-4H3/b10-9-"	CC1=CC=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC	YSJFPRSDNPCGBF-KTKRTIGZSA-N
DG61915	"(Z)-3,4,5-Trimethoxy-4'-bromostilbene"	5388768	"CHEMBL86736; SCHEMBL9185792; ZINC5808105; BDBM50229500; NSC638486; NSC-638486; (Z)-3,4,5-Trimethoxy-4'-bromostilbene; 3,4,5-tri-methoxy-4'-bromo-cis-stilbene; (Z) 4-BROMO-3',5'-TRIMETHOXYSTILBENE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638486	.	.	.	.	349.2	C17H17BrO3	27.7	312	4.8	21	0	3	5	"InChI=1S/C17H17BrO3/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h4-11H,1-3H3/b5-4-"	COC1=CC(=CC(=C1OC)OC)/C=C\\C2=CC=C(C=C2)Br	UBBBWYGKBDCYDY-PLNGDYQASA-N
DG61916	"(Z)-4-Acetyloxy-3,4',5-trimethoxystilbene"	5388769	"NSC638487; CHEMBL74707; SCHEMBL9190042; NSC-638487; (Z) 4-Acetoxy-(3,5)-trimethoxystilbene; (Z)-4-Acetyloxy-3,4',5-trimethoxystilbene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638487	.	.	.	.	328.4	C19H20O5	54	400	3.9	24	0	5	7	"InChI=1S/C19H20O5/c1-13(20)24-19-17(22-3)11-15(12-18(19)23-4)6-5-14-7-9-16(21-2)10-8-14/h5-12H,1-4H3/b6-5-"	CC(=O)OC1=C(C=C(C=C1OC)/C=C\\C2=CC=C(C=C2)OC)OC	GDHFPJWOVNLKQP-WAYWQWQTSA-N
DG61917	"(Z)-3,4,5-Trimethoxy-4'-chlorostilbene"	5388770	"CHEMBL315640; NSC638488; SCHEMBL9187688; ZINC5808108; BDBM50229493; NSC-638488; (Z) 4-Chloro-3',5'-trimethoxystilbene; (Z)-3,4,5-Trimethoxy-4'-chlorostilbene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638488	.	.	.	.	304.8	C17H17ClO3	27.7	312	4.7	21	0	3	5	"InChI=1S/C17H17ClO3/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h4-11H,1-3H3/b5-4-"	COC1=CC(=CC(=C1OC)OC)/C=C\\C2=CC=C(C=C2)Cl	PRZBYQFRFYZXBQ-PLNGDYQASA-N
DG61918	"(E)-4-(tert-Butyldimethylsilyloxy)-3,4',5-trimethoxystilbene"	5388773	"CHEMBL74547; SCHEMBL9189259; NSC638491; NSC-638491; (E) 4-.tert.Butyldimethylsilyloxy-3,5-trimethoxystilbene; (E)-4-(tert-Butyldimethylsilyloxy)-3,4',5-trimethoxystilbene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638491	.	.	.	.	400.6	C23H32O4Si	36.9	477	.	28	0	4	8	"InChI=1S/C23H32O4Si/c1-23(2,3)28(7,8)27-22-20(25-5)15-18(16-21(22)26-6)10-9-17-11-13-19(24-4)14-12-17/h9-16H,1-8H3/b10-9+"	CC(C)(C)[Si](C)(C)OC1=C(C=C(C=C1OC)/C=C/C2=CC=C(C=C2)OC)OC	QYELFYNGCBSTLN-MDZDMXLPSA-N
DG61919	"(Z)-3,3',4,5-Tetramethoxystilbene"	5388774	"CHEMBL315541; SCHEMBL9189256; (Z) 3,4,5-Tetramethoxystilbene; BDBM50229492; NSC638492; ZINC13823931; (Z)-3,3',4,5-Tetramethoxystilbene; NSC-638492"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638492	.	.	.	.	300.3	C18H20O4	36.9	330	4.1	22	0	4	6	"InChI=1S/C18H20O4/c1-19-15-7-5-6-13(10-15)8-9-14-11-16(20-2)18(22-4)17(12-14)21-3/h5-12H,1-4H3/b9-8-"	COC1=CC=CC(=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC	HDVYOENGFYGXCE-HJWRWDBZSA-N
DG61920	"(E)-4-Acetyloxy-3,4',5-trimethoxystilbene"	5388775	"CHEMBL74762; SCHEMBL9185046; SCHEMBL9185055; NSC638493; (E) 4-Acetoxy-3,5-trimethoxystilbene; NSC-638493; (E)-4-Acetyloxy-3,4',5-trimethoxystilbene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638493	.	.	.	.	328.4	C19H20O5	54	400	3.9	24	0	5	7	"InChI=1S/C19H20O5/c1-13(20)24-19-17(22-3)11-15(12-18(19)23-4)6-5-14-7-9-16(21-2)10-8-14/h5-12H,1-4H3/b6-5+"	CC(=O)OC1=C(C=C(C=C1OC)/C=C/C2=CC=C(C=C2)OC)OC	GDHFPJWOVNLKQP-AATRIKPKSA-N
DG61921	"3,4,5-Trimethoxy-4'-methylstilbene"	5388776	"CHEMBL74191; SCHEMBL9186172; SCHEMBL9186181; ZINC1625618; NSC638494; 3,4,5-Trimethoxy-4'-methylstilbene; NSC-638494; (E) 3,5-Trimethoxy-4'-methylstilbene; (E)-3,4,5-Trimethoxy-4'-methylstilbene; (e)-1,2,3-trimethoxy-5-(4-methylstyryl)benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638494	.	.	.	.	284.3	C18H20O3	27.7	306	4.5	21	0	3	5	"InChI=1S/C18H20O3/c1-13-5-7-14(8-6-13)9-10-15-11-16(19-2)18(21-4)17(12-15)20-3/h5-12H,1-4H3/b10-9+"	CC1=CC=C(C=C1)/C=C/C2=CC(=C(C(=C2)OC)OC)OC	YSJFPRSDNPCGBF-MDZDMXLPSA-N
DG61922	"(Z)-3,4,5-Trimethoxy-4'-acetoxystilbene"	5388778	"CHEMBL87209; SCHEMBL9185527; ZINC5808115; BDBM50229494; NSC638497; NSC-638497; (Z) 4-Acetoxy-3',5'-trimethoxystilbene; (Z)-3,4,5-Trimethoxy-4'-acetoxystilbene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638497	.	.	.	.	328.4	C19H20O5	54	400	3.9	24	0	5	7	"InChI=1S/C19H20O5/c1-13(20)24-16-9-7-14(8-10-16)5-6-15-11-17(21-2)19(23-4)18(12-15)22-3/h5-12H,1-4H3/b6-5-"	CC(=O)OC1=CC=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC	SYAOAXJVQVJDPD-WAYWQWQTSA-N
DG61923	"1-(4-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene"	5388779	"CHEMBL47426; 1-(4-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene; 1-Mtpe; NSC638499; Deoxycombretastatin A4; SCHEMBL3834841; ZINC5900; (Z)-1,2,3-Trimethoxy-5-(2-(4-methoxyphenyl)ethenyl)benzene; 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene; cis-3,4,5,4'-tetramethoxystilbene; BDBM50006677; 10Z-3,4,4',5-tetramethoxystilbene; NSC-638499; 10Z-3,4,4'',5-tetramethoxystilbene; 3,4,4'',5-tetramethoxy-(Z)-stilbene; (Z) 3,4',5-TETRAMETHOXYSTILBENE; 5-(4-methoxystyryl)-1,2,3-trimethoxybenzene; 1,2,3-Trimethoxy-5-[2-(4-methoxy-phenyl)-vinyl]-benzene; 1,2,3-Trimethoxy-5-[(Z)-2-(4-methoxy-phenyl)-vinyl]-benzene; Benzene, 1,2,3-trimethoxy-5-(2-(4-methoxyphenyl)ethenyl)-, (Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638499	.	.	.	.	300.3	C18H20O4	36.9	322	4.1	22	0	4	6	"InChI=1S/C18H20O4/c1-19-15-9-7-13(8-10-15)5-6-14-11-16(20-2)18(22-4)17(12-14)21-3/h5-12H,1-4H3/b6-5-"	COC1=CC=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC	GGFQQRXTLIJXNY-WAYWQWQTSA-N
DG61924	"3-(2,6-Dichlorophenyl)-2-phenylacrylonitrile"	5388794	"NSC638623; 3-(2,6-Dichlorophenyl)-2-phenylacrylonitrile; CHEMBL1972586; ZINC256409; AKOS001607365; NSC-638623; SR-01000408305; (2Z)-3-(2,6-dichlorophenyl)-2-phenylacrylonitrile; SR-01000408305-1; (Z)-3-(2,6-dichlorophenyl)-2-phenyl-prop-2-enenitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638623	.	.	.	.	274.1	C15H9Cl2N	23.8	339	5	18	0	1	2	InChI=1S/C15H9Cl2N/c16-14-7-4-8-15(17)13(14)9-12(10-18)11-5-2-1-3-6-11/h1-9H/b12-9+	C1=CC=C(C=C1)/C(=C/C2=C(C=CC=C2Cl)Cl)/C#N	KJQCNVVCCLWWOT-FMIVXFBMSA-N
DG61925	3-(2-Methoxyphenyl)-2-phenylacrylonitrile	5388795	NSC638624; CHEMBL1981452; ZINC16957508; NSC-638624; 3-(2-Methoxyphenyl)-2-phenylacrylonitrile; (Z)-3-(2-methoxyphenyl)-2-phenyl-prop-2-enenitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638624	.	.	.	.	235.28	C16H13NO	33	332	3.5	18	0	2	3	"InChI=1S/C16H13NO/c1-18-16-10-6-5-9-14(16)11-15(12-17)13-7-3-2-4-8-13/h2-11H,1H3/b15-11+"	COC1=CC=CC=C1/C=C(\\C#N)/C2=CC=CC=C2	DHHRPBSETDXPFV-RVDMUPIBSA-N
DG61926	3-(9-Phenanthryl)-2-phenylacrylonitrile	5388799	NSC638632; CHEMBL2003444; NSC-638632; 2-Phenyl-3-(9-phenanthryl)acrylonitrile; 3-(9-Phenanthryl)-2-phenylacrylonitrile; J3.537.385C; (Z)-3-(9-phenanthryl)-2-phenyl-prop-2-enenitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638632	.	.	.	.	305.4	C23H15N	23.8	503	6.2	24	0	1	2	InChI=1S/C23H15N/c24-16-20(17-8-2-1-3-9-17)15-19-14-18-10-4-5-11-21(18)23-13-7-6-12-22(19)23/h1-15H/b20-15+	C1=CC=C(C=C1)/C(=C/C2=CC3=CC=CC=C3C4=CC=CC=C42)/C#N	IVMUXVJUQKUNTR-HMMYKYKNSA-N
DG61927	"Propyl-1-aminium,5-bis(phenylmethylene)-4-oxo-piperidin-1-yl]-3-oxo-N,N,N-trimethyl-, bromide"	5388801	"MLS002701684; NSC638635; CHEMBL1988510; NSC-638635; Propyl-1-aminium,5-bis(phenylmethylene)-4-oxo- piperidin-1-yl]-3-oxo-N,N,N-trimethyl-, bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638635	.	.	.	.	469.4	C25H29BrN2O2	37.4	604	.	30	0	3	5	"InChI=1S/C25H29N2O2.BrH/c1-27(2,3)15-14-24(28)26-18-22(16-20-10-6-4-7-11-20)25(29)23(19-26)17-21-12-8-5-9-13-21;/h4-13,16-17H,14-15,18-19H2,1-3H3;1H/q+1;/p-1/b22-16+,23-17+;"	C[N+](CCC(=O)N1C/C(=C\\C2=CC=CC=C2)/C(=O)/C(=C/C3=CC=CC=C3)/C1)(C)C.[Br-]	AUUOGAVSBZTROQ-VLQAMQNLSA-M
DG61928	"(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]piperidin-4-one"	5388806	"(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]piperidin-4-one; 3,5-bis(3,4-dichlorobenzylidene)piperidin-4-one; 145888-79-5; (3E,5e)-3,5-bis(3,4-dichlorobenzylidene)piperidin-4-one; 919091-61-5; PTP1B-IN-9; NSC638643; RAMB4; CHEMBL154880; SCHEMBL23095004; MFCD16555924; ZINC27654112; HY-W054146; NSC-638643; WS-01180; CS-0047244; W12021; 3-Piperidinone,5-bis[(3,4-dichlorophenyl)methylene]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638643	.	.	.	.	413.1	C19H13Cl4NO	29.1	516	5.7	25	1	2	2	"InChI=1S/C19H13Cl4NO/c20-15-3-1-11(7-17(15)22)5-13-9-24-10-14(19(13)25)6-12-2-4-16(21)18(23)8-12/h1-8,24H,9-10H2/b13-5+,14-6+"	C\\1NC/C(=C\\C2=CC(=C(C=C2)Cl)Cl)/C(=O)/C1=C/C3=CC(=C(C=C3)Cl)Cl	GJPXGFGIFQWUOC-ACFHMISVSA-N
DG61929	"1-((3-(Diethylamino)-2-hydroxypropyl)amino)-4-((2,3-epoxypropyl)amino)-9,10-anthracenedione fumaric acid salt"	5388837	"NSC-639366; 144181-12-4; (E)-But-2-enedioic acid;1-[[3-(diethylamino)-2-hydroxypropyl]amino]-4-(oxiran-2-ylmethylamino)anthracene-9,10-dione; NSC 639366; spc100097; CHEMBL1794865; Spc-100097; NSC639366; 1-[[3'-(Diethylamino)-2'-hydroxypropyl]amino]-4- [(2'',10-anthracenedione Fumaric Acid; 1-((3-(Diethylamino)-2-hydroxypropyl)amino)-4-((2,3-epoxypropyl)amino)-9,10-anthracenedione fumaric acid salt; 9,10-Anthracenedione, 1-((3-(diethylamino)-2-hydroxypropyl)amino)-4-((oxiranylmethyl)amino)-, (E)-2-butenedioate (1:1) (salt)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639366	.	.	.	.	539.6	C28H33N3O8	169	759	.	39	5	11	12	"InChI=1S/C24H29N3O4.C4H4O4/c1-3-27(4-2)13-15(28)11-25-19-9-10-20(26-12-16-14-31-16)22-21(19)23(29)17-7-5-6-8-18(17)24(22)30;5-3(6)1-2-4(7)8/h5-10,15-16,25-26,28H,3-4,11-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+"	CCN(CC)CC(CNC1=C2C(=C(C=C1)NCC3CO3)C(=O)C4=CC=CC=C4C2=O)O.C(=C/C(=O)O)\\C(=O)O	BREXYFHGCPUYSM-WLHGVMLRSA-N
DG61930	NSC639831	5388861	"3-[[(2S)-7-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione; NSC639831; CHEMBL1972219; NSC-639831; NCI60_013258; Benzo[h][1]benzopyrano[5,3-cde][1]benzopyran-5,12-dione, 6-hydroxy-1-methyl-10-[[2-O-(6-desoxy-3-O-methyl- .beta.-D-galactopyranosyl)-6-desoxy- 3,4-O-(phenylmethylene)-.beta.-D-galactopyranosyl]oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639831	.	.	.	.	728.7	C39H36O14	178	1360	4.6	53	3	14	6	"InChI=1S/C39H36O14/c1-15-13-14-21-24-22(15)35(43)50-31-23-19(28(41)26(25(24)31)36(44)48-21)11-8-12-20(23)49-39-34(53-38-29(42)32(45-4)27(40)16(2)46-38)33-30(17(3)47-39)51-37(52-33)18-9-6-5-7-10-18/h5-14,16-17,27,29-30,32-34,37-42H,1-4H3/t16 ,17 ,27 ,29 ,30 ,32 ,33 ,34 ,37-,38 ,39 /m0/s1"	CC1C(C(C(C(O1)OC2C3C(C(OC2OC4=CC=CC5=C4C6=C7C8=C(C=CC(=C8C(=O)O6)C)OC(=O)C7=C5O)C)O[C@@H](O3)C9=CC=CC=C9)O)OC)O	XVSHGAAPBNVZEJ-YTTHPEARSA-N
DG61931	NSC639832	5388862	"8-hydroxy-15-methyl-3-[[(2R)-4-methyl-2-phenyl-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione; NSC639832; CHEMBL1989480; NSC-639832; NCI60_013259; Benzo[h][1]benzopyrano[5,3-cde][1] benzopyran-5,12-dione, 6-hydroxy-1-methyl-10-[[2-O-(6-desoxy- .beta.-D-galactopyranosyl)-6-desoxy- 3,4-O-(phenylmethylene)-.beta.-D- galactopyranosyl]oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639832	.	.	.	.	714.7	C38H34O14	189	1340	4.1	52	4	14	5	"InChI=1S/C38H34O14/c1-14-12-13-20-23-21(14)34(43)49-31-22-18(27(40)25(24(23)31)35(44)47-20)10-7-11-19(22)48-38-33(52-37-29(42)28(41)26(39)15(2)45-37)32-30(16(3)46-38)50-36(51-32)17-8-5-4-6-9-17/h4-13,15-16,26,28-30,32-33,36-42H,1-3H3/t15 ,16 ,26 ,28 ,29 ,30 ,32 ,33 ,36-,37 ,38 /m1/s1"	CC1C(C(C(C(O1)OC2C3C(C(OC2OC4=CC=CC5=C4C6=C7C8=C(C=CC(=C8C(=O)O6)C)OC(=O)C7=C5O)C)O[C@H](O3)C9=CC=CC=C9)O)O)O	XFXSVFLGSJQVAJ-RTGPMSLNSA-N
DG61932	methyl (2Z)-2-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)acetate	5408868	NSC707058; CHEMBL2000840; ZINC4713057; NSC-707058; SR-01000313140; SR-01000313140-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707058	.	.	.	.	324.13	C13H10BrNO4	63.7	460	1.6	19	0	4	2	"InChI=1S/C13H10BrNO4/c1-7(16)15-11-4-3-8(14)5-9(11)10(13(15)18)6-12(17)19-2/h3-6H,1-2H3/b10-6-"	CC(=O)N1C2=C(C=C(C=C2)Br)/C(=C/C(=O)OC)/C1=O	WACRDJCCYIXPRI-POHAHGRESA-N
DG61933	methyl (2Z)-2-(1-acetyl-2-oxo-indolin-3-ylidene)acetate	5411409	"NSC682575; CHEMBL1984389; ZINC362900; NSC-682575; methyl (2Z)-2-(1-acetyl-2-oxo-indolin-3-ylidene)acetate; Acetic acid,3-dihydro-2-oxo- 3-indolylidene)-, methyl ester; Methyl (1-acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682575	.	.	.	.	245.23	C13H11NO4	63.7	427	0.9	18	0	4	2	"InChI=1S/C13H11NO4/c1-8(15)14-11-6-4-3-5-9(11)10(13(14)17)7-12(16)18-2/h3-7H,1-2H3/b10-7-"	CC(=O)N1C2=CC=CC=C2/C(=C/C(=O)OC)/C1=O	ASWBFUSHNDQBPA-YFHOEESVSA-N
DG61934	1-(2-Naphthyl)ethanonethiosemicarbazone	5418163	NSC204686; CHEMBL1974077; ZINC12403688; AKOS008939811; NSC-204686; 1-(2-Naphthyl)ethanonethiosemicarbazone; (1Z)-1-(2-naphthyl)ethanone thiosemicarbazone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	204686	.	.	.	.	243.33	C13H13N3S	82.5	314	2.7	17	2	2	2	"InChI=1S/C13H13N3S/c1-9(15-16-13(14)17)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3,(H3,14,16,17)/b15-9-"	C/C(=N/NC(=S)N)/C1=CC2=CC=CC=C2C=C1	PMXAAMWMXCVPGX-DHDCSXOGSA-N
DG61935	"(3Z)-1-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one"	5427240	NSC736803; AKOS005145497; NSC-736803	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736803	.	.	.	.	325.4	C19H19NO4	48	478	3	24	0	4	4	"InChI=1S/C19H19NO4/c1-20-15-8-6-5-7-13(15)14(19(20)21)9-12-10-16(22-2)18(24-4)17(11-12)23-3/h5-11H,1-4H3/b14-9-"	CN1C2=CC=CC=C2/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/C1=O	PLQNNZRIXIRLMP-ZROIWOOFSA-N
DG61936	"11-chloro-10H-indolo[3,2-b]quinoline"	5454187	"NSC693852; 11-chloro-10H-indolo[3,2-b]quinoline; 11-Chloro-10H-quindoline; CHEMBL176893; SCHEMBL8479917; SCHEMBL8479924; ZINC6583621; AKOS024328505; MCULE-7040661925; NSC-693852; NCI60_033584; 11-H-11-chloroindolo [3,2-b] quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693852	.	.	.	.	252.7	C15H9ClN2	28.7	322	4	18	1	1	0	"InChI=1S/C15H9ClN2/c16-13-9-5-1-3-7-11(9)17-14-10-6-2-4-8-12(10)18-15(13)14/h1-8,18H"	C1=CC=C2C(=C1)C3=NC4=CC=CC=C4C(=C3N2)Cl	DUMZYVAZBKDIQG-UHFFFAOYSA-N
DG61937	"(2E)-2-[(4-chloroanilino)methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile"	5456998	NSC712423; CHEMBL1997672; NSC-712423	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712423	.	.	.	.	360.8	C20H13ClN4O	70.7	698	3.6	26	1	4	2	"InChI=1S/C20H13ClN4O/c1-12-15(10-22)19-24-17-4-2-3-5-18(17)25(19)20(26)16(12)11-23-14-8-6-13(21)7-9-14/h2-9,11,23H,1H3/b16-11+"	CC\\1=C(C2=NC3=CC=CC=C3N2C(=O)/C1=C/NC4=CC=C(C=C4)Cl)C#N	ARDMHMAYBHGBQX-LFIBNONCSA-N
DG61938	"1,4-Dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione hydrochloride"	5458171	"DHAD; MLS001333711; NSC301739; 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione hydrochloride; SMR000058480; DHAQ HCl; mitoxantron hydrochloride; SCHEMBL66384; MLS000028811; MLS002222224; C22H28N4O6.ClH; CHEMBL1200827; REGID_for_CID_5458171; Pharmakon1600-01503278; 2548AH; NSC758450; AKOS015969114; MCULE-8071515120; NC00624; NSC-758450; NCGC00178280-01; NCGC00178280-02; FT-0628953; A836896; 9, 1,4-dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl] amino]-, dihydrochloride; 1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis(oxidanyl)anthracene-9,10-dione hydrochloride; 9,10-Anthracenedione,1,4-dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758450	.	.	.	.	480.9	C22H29ClN4O6	163	571	.	33	9	10	12	"InChI=1S/C22H28N4O6.ClH/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32;/h1-4,23-30H,5-12H2;1H"	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO.Cl	MKCBCZDNNZPMCG-UHFFFAOYSA-N
DG61939	Actinomycin pip 1B	5458205	NSC107660; ACTINOMYCIN PIP 1B; 67523-20-0	.	.	Investigative Drug(s)	Investigative	Small molecular drug	107660	.	.	.	.	1269.4	C63H88N12O16	356	3050	4.1	91	5	18	8	"InChI=1S/C63H88N12O16/c1-28(2)43-60(85)74-24-18-17-20-37(74)58(83)70(13)26-39(76)72(15)50(31(7)8)63(88)90-35(12)46(57(82)67-43)69-55(80)41-42(64)51(78)33(10)53-48(41)65-47-36(23-22-32(9)52(47)91-53)54(79)68-45-34(11)89-62(87)49(30(5)6)73(16)40(77)27-71(14)59(84)38-21-19-25-75(38)61(86)44(29(3)4)66-56(45)81/h22-23,28-31,34-35,37-38,43-46,49-50H,17-21,24-27,64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)"	CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C	MBIAJMRIZJLJPR-UHFFFAOYSA-N
DG61940	NSC114567	5458217	"[6-(chloromethyl)-9-methyl-3-methylidene-6,7,9a-tris(oxidanyl)-2-oxidanylidene-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate; NSC114567; CHEMBL2002967; NSC-114567; A814296; (E)-2-methyl-2-butenoic acid [6-(chloromethyl)-6,7,9a-trihydroxy-9-methyl-3-methylene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] ester; [6-(chloromethyl)-9-methyl-3-methylidene-6,7,9a-tris(oxidanyl)-2-oxidanylidene-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114567	.	.	.	.	412.9	C20H25ClO7	113	787	0.6	28	3	7	4	"InChI=1S/C20H25ClO7/c1-5-9(2)17(23)27-13-7-19(25,8-21)15-12(22)6-10(3)20(15,26)16-14(13)11(4)18(24)28-16/h5-6,12-16,22,25-26H,4,7-8H2,1-3H3/b9-5+"	C/C=C(\\C)/C(=O)OC1CC(C2C(C=C(C2(C3C1C(=C)C(=O)O3)O)C)O)(CCl)O	VCAKAFVZYNRGKS-WEVVVXLNSA-N
DG61941	NSC114568	5458218	"[7-acetyloxy-6-(chloromethyl)-6,9a-dihydroxy-9-methyl-3-methylidene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate; EUPACHLORIN ACETATE; NSC114568; 20501-52-4; CHEMBL1986697; NSC-114568"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114568	.	.	.	.	454.9	C22H27ClO8	119	892	1.2	31	2	8	6	"InChI=1S/C22H27ClO8/c1-6-10(2)19(25)30-15-8-21(27,9-23)17-14(29-13(5)24)7-11(3)22(17,28)18-16(15)12(4)20(26)31-18/h6-7,14-18,27-28H,4,8-9H2,1-3,5H3/b10-6+"	C/C=C(\\C)/C(=O)OC1CC(C2C(C=C(C2(C3C1C(=C)C(=O)O3)O)C)OC(=O)C)(CCl)O	WVTMFOWXYVFVDE-UXBLZVDNSA-N
DG61942	Laureatin	5458234	Laureatin; NSC122226; CHEMBL1984739; NSC-122226	.	.	Investigative Drug(s)	Investigative	Small molecular drug	122226	.	.	.	.	392.13	C15H20Br2O2	18.5	374	4.2	19	0	2	4	"InChI=1S/C15H20Br2O2/c1-3-5-6-7-12-15-9-14(19-15)11(17)8-13(18-12)10(16)4-2/h1,5-6,10-15H,4,7-9H2,2H3/b6-5+"	CCC(C1CC(C2CC(O2)C(O1)C/C=C/C#C)Br)Br	QVSXXUNREJZJAN-AATRIKPKSA-N
DG61943	Thevetine	5458241	Thevetine; NSC123979	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123979	.	.	.	.	859	C42H66O18	273	1570	-1.6	60	9	18	10	"InChI=1S/C42H66O18/c1-18-35(60-38-33(50)31(48)29(46)26(59-38)17-55-37-32(49)30(47)28(45)25(15-43)58-37)36(53-4)34(51)39(56-18)57-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(44)54-16-19/h13,18,20-26,28-39,43,45-52H,5-12,14-17H2,1-4H3/t18-,20+,21-,22 ,23-,24+,25+,26+,28+,29+,30-,31-,32+,33+,34-,35-,36-,37 ,38-,39-,40-,41+,42-/m0/s1"	C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O	GZVMBXDQUQRICT-QUHGHAODSA-N
DG61944	"(2Z)-2-Cyano-3-(2,4-dimethoxyphenyl)prop-2-enamide"	5458263	"NSC134664; NSC-134664; CHEMBL1983539; CAA102427; ZINC12366683; AKOS002960079; (2Z)-2-CYANO-3-(2,4-DIMETHOXYPHENYL)PROP-2-ENAMIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134664	.	.	.	.	232.23	C12H12N2O3	85.3	356	1.1	17	1	4	4	"InChI=1S/C12H12N2O3/c1-16-10-4-3-8(11(6-10)17-2)5-9(7-13)12(14)15/h3-6H,1-2H3,(H2,14,15)/b9-5-"	COC1=CC(=C(C=C1)/C=C(/C#N)\\C(=O)N)OC	WPPQGZFEWZSGOX-UITAMQMPSA-N
DG61945	NSC135021	5458270	"[(3aS,4R,5Z,7R,9S,10Z,11aR)-9-acetyloxy-7-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate; NSC135021; CHEMBL398735"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135021	.	.	.	.	420.5	C22H28O8	112	840	0.3	30	1	8	5	"InChI=1S/C22H28O8/c1-10-7-18(29-21(26)22(6)13(4)30-22)19-12(3)20(25)28-17(19)8-11(2)16(9-15(10)24)27-14(5)23/h7-8,13,15-19,24H,3,9H2,1-2,4-6H3/b10-7-,11-8-/t13-,15-,16+,17-,18-,19+,22-/m1/s1"	C[C@@H]1[C@](O1)(C)C(=O)O[C@@H]2/C=C(\\[C@@H](C[C@@H](/C(=C\\[C@@H]3[C@@H]2C(=C)C(=O)O3)/C)OC(=O)C)O)/C	QGXSKKOWDFZPIV-FZLKMTPASA-N
DG61946	Piperazinedione 593A	5458276	NSC135758; Piperazinedione 593A	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135758	.	.	.	.	385.7	C14H23Cl3N4O2	86.8	451	.	23	4	4	2	"InChI=1S/C14H22Cl2N4O2.ClH/c15-7-1-3-9(17-5-7)11-13(21)20-12(14(22)19-11)10-4-2-8(16)6-18-10;/h7-12,17-18H,1-6H2,(H,19,22)(H,20,21);1H/t7-,8-,9+,10+,11-,12-;/m0./s1"	C1C[C@@H]([NH2+]C[C@H]1Cl)[C@H]2C(=O)N[C@H](C(=O)N2)[C@H]3CC[C@@H](CN3)Cl.[Cl-]	DWDDRBRKQBGRAJ-ZARMYCFFSA-N
DG61947	AT 116 benzylamine salt	5458281	NSC136037; AT 116 benzylamine salt	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136037	.	.	.	.	383.4	C22H25NO5	107	653	.	28	1	5	1	"InChI=1S/C15H16O5.C7H9N/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15;8-6-7-4-2-1-3-5-7/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17);1-5H,6,8H2"	CC1C2C=C(C3C2(C=C1C)C4(CO4)C(=O)OC3)C(=O)[O-].C1=CC=C(C=C1)C[NH3+]	IFBNAVDXUJSDEH-UHFFFAOYSA-N
DG61948	"7-[(Z)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enoxy]chromen-2-one"	5458299	"GEIPARVIN; NSC142227; SCHEMBL12247773; ZINC5068797; 2H-1-Benzopyran-2-one,7-[[(2E)-3-(4,5-dihydro-5,5-dimethyl-4-oxo-2-furanyl)-2-buten-1-yl]oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	142227	.	.	.	.	326.3	C19H18O5	61.8	626	3.4	24	0	5	4	"InChI=1S/C19H18O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6-4-13-5-7-18(21)23-16(13)10-14/h4-8,10-11H,9H2,1-3H3/b12-8-"	C/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C3=CC(=O)C(O3)(C)C	OUTLLBZGJYDUQE-WQLSENKSSA-N
DG61949	NSC143093	5458302	"[6-[12-acetyloxy-10-[5-acetyloxy-4-(dimethylamino)-4,6-dimethyloxan-2-yl]-2-[(Z)-but-2-en-2-yl]-11-hydroxy-12-methoxy-5-methyl-4,7-dioxonaphtho[7,6-h]chromen-8-yl]-4-(dimethylamino)-2-methyloxan-3-yl] acetate; Acetylkidamycin; NSC143093"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143093	.	.	.	.	847	C46H58N2O13	177	1780	4.7	61	1	15	12	"InChI=1S/C46H58N2O13/c1-15-21(2)33-19-32(52)36-22(3)16-30-38(43(36)60-33)46(55-14,61-27(8)51)39-37(40(30)53)28(34-18-31(47(10)11)42(23(4)56-34)58-25(6)49)17-29(41(39)54)35-20-45(9,48(12)13)44(24(5)57-35)59-26(7)50/h15-17,19,23-24,31,34-35,42,44,54H,18,20H2,1-14H3/b21-15-"	C/C=C(/C)\\C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=O)C4=C(C3(OC)OC(=O)C)C(=C(C=C4C5CC(C(C(O5)C)OC(=O)C)N(C)C)C6CC(C(C(O6)C)OC(=O)C)(C)N(C)C)O	XYJIEMFSVFBJNI-QNGOZBTKSA-N
DG61950	"4-Amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-1-ium-5-carboxamide;chloride"	5458305	NSC143648	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143648	.	.	.	.	345.74	C12H16ClN5O5	171	440	.	23	6	8	3	"InChI=1S/C12H15N5O5.ClH/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12;/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16);1H"	C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)[NH+]=CN=C2N)C(=O)N.[Cl-]	WTSGTUMQZSEZIW-UHFFFAOYSA-N
DG61951	"(E)-2,4-diphenylbut-3-enoic acid"	5458329	NSC154652; NSC-154652; CHEMBL2006533; 2294-90-8	.	.	Investigative Drug(s)	Investigative	Small molecular drug	154652	.	.	.	.	238.28	C16H14O2	37.3	284	3.7	18	1	2	4	"InChI=1S/C16H14O2/c17-16(18)15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12,15H,(H,17,18)/b12-11+"	C1=CC=C(C=C1)/C=C/C(C2=CC=CC=C2)C(=O)O	XDCWKTVDGLXVME-VAWYXSNFSA-N
DG61952	"7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxy-4-(hydroxyamino)pyrrolo[2,3-d]pyrimidine-5-carboximidamide;chloride"	5458330	NSC154829	.	.	Investigative Drug(s)	Investigative	Small molecular drug	154829	.	.	.	.	375.74	C12H16ClN6O6-	192	483	.	25	7	11	4	"InChI=1S/C12H16N6O6.ClH/c13-9(16-22)4-1-18(11-6(4)10(17-23)14-3-15-11)12-8(21)7(20)5(2-19)24-12;/h1,3,5,7-8,12,19-23H,2H2,(H2,13,16)(H,14,15,17);1H/p-1"	C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)NO)C(=NO)N.[Cl-]	VGWBNMBYXAYRFO-UHFFFAOYSA-M
DG61953	CID 5458338	5458338	"NSC156529; 41134-88-7; NSC-156529; 6-Methyl-2-phenyl-10-phenylsulfanyl-1H-anthra[1,9-bc]thiophenium chloride; CHEMBL2001144; NSC 156529; 1H-Anthra[1, 6-methyl-2-phenyl-10-(phenylthio)-, chloride; 8-Methyl-14-phenyl-3-phenylsulfanyl-14-thioniatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaene;chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	156529	.	.	.	.	457.1	C28H21ClS2	26.3	577	.	31	0	2	3	"InChI=1S/C28H21S2.ClH/c1-19-22-14-8-16-25(29-20-10-4-2-5-11-20)27(22)24-18-30(21-12-6-3-7-13-21)26-17-9-15-23(19)28(24)26;/h2-17H,18H2,1H3;1H/q+1;/p-1"	CC1=C2C=CC=C(C2=C3C[S+](C4=CC=CC1=C34)C5=CC=CC=C5)SC6=CC=CC=C6.[Cl-]	KLQVNXJBZZWIIV-UHFFFAOYSA-M
DG61954	8-Ethylnorcoralyne	5458339	"NSC156625; 8-Ethylnorcoralyne; CORALYNE, 8-ETHYL; CHEMBL1986131; NSC-156625; Dibenzo[a, 8-ethyl-2,3,10,11-tetramethoxy-, salt with 2-sulfopropanoic acid (1:1) (MF1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	156625	.	.	.	.	531.6	C26H29NO9S	144	708	.	37	1	9	6	"InChI=1S/C23H24NO4.C3H6O5S/c1-6-18-17-13-23(28-5)21(26-3)11-15(17)9-19-16-12-22(27-4)20(25-2)10-14(16)7-8-24(18)19;1-2(3(4)5)9(6,7)8/h7-13H,6H2,1-5H3;2H,1H3,(H,4,5)(H,6,7,8)/q+1;/p-1"	CCC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.CC(C(=O)[O-])S(=O)(=O)O	AOMPOHIYVPAGAD-UHFFFAOYSA-M
DG61955	NSC159228	5458343	"4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;1-(3-carboxyphenyl)-2,5-dimethylpyrrole-3-carboxylic acid; NSC159228; NSC-159228; NCI60_001172; 1-(3-carboxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid compound with strychnidin-10-one (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	159228	.	.	.	.	593.7	C35H35N3O6	112	1060	.	44	2	7	3	"InChI=1S/C21H22N2O2.C14H13NO4/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;1-8-6-12(14(18)19)9(2)15(8)11-5-3-4-10(7-11)13(16)17/h1-5,13,16-17,19-20H,6-11H2;3-7H,1-2H3,(H,16,17)(H,18,19)"	CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C(=O)O.C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75	KTZBSILKJZMURY-UHFFFAOYSA-N
DG61956	"2H-Pyran-2-one,4-dihydroxy-2,4,5-trimethyl-2-furanyl)-1,3,5,7-octatetraenyl]-"	5458344	"NSC159630; Citreoviridine; CHEMBL1991637; NSC-159630; 2H-Pyran-2-one,4-dihydroxy-2,4,5-trimethyl-2-furanyl)-1,3,5,7-octatetraenyl]-; 2H-Pyran-2-one,4-dihydroxy-2,4,5-trimethyl-2-furyl)-1,3,5,7-octatetraenyl]-; 2H-Pyran-2-one,4-dihydroxy-2,4,5-trimethyl-2-furanyl)-1,3,5,7-octatetraenyl]-, [2R-[2.alpha.(1E,3E,5E,7E),3.beta.,4.alpha.,5.alpha.]]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	159630	.	.	.	.	402.5	C23H30O6	85.2	828	2.6	29	2	6	6	"InChI=1S/C23H30O6/c1-15(14-22(4)21(25)23(5,26)17(3)29-22)11-9-7-8-10-12-18-16(2)19(27-6)13-20(24)28-18/h7-14,17,21,25-26H,1-6H3/b8-7+,11-9+,12-10+,15-14-"	CC1C(C(C(O1)(C)/C=C(/C)\\C=C\\C=C\\C=C\\C2=C(C(=CC(=O)O2)OC)C)O)(C)O	JLSVDPQAIKFBTO-QQMWJGNCSA-N
DG61957	"2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone hydrobromide"	5458345	"NSC160319; 32188-94-6; NSC-160319; CHEMBL2003170; 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone hydrobromide; 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-1-phenylethan-1-one hydrobromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	160319	.	.	.	.	301.2	C11H13BrN2OS	66.8	259	.	16	2	3	4	"InChI=1S/C11H12N2OS.BrH/c14-10(9-4-2-1-3-5-9)8-15-11-12-6-7-13-11;/h1-5H,6-8H2,(H,12,13);1H"	C1CN=C(N1)SCC(=O)C2=CC=CC=C2.Br	UFGCDDZQIFGJKH-UHFFFAOYSA-N
DG61958	NSC165260	5458357	"[4-[(E)-2-(acetyloxymethyl)but-2-enoyl]oxy-9-methyl-3-methylidene-2-oxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-6,2'-oxirane]-7-yl] (E)-2-(hydroxymethyl)but-2-enoate; NSC165260; CHEMBL2003992; NSC-165260; [4-[(E)-2-(acetoxymethyl)but-2-enoyl]oxy-9-methyl-3-methylene-2-oxo-spiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-6,2'-oxirane]-7-yl] (E)-2-(hydroxymethyl)but-2-enoate; 7-{[(2E)-2-(Hydroxymethyl)but-2-enoyl]oxy}-9-methyl-3-methylene-2-oxo-3,3a,4,5,6a,7,9a,9b-octahydro-2H-spiro[azuleno[4,5-b]furan-6,2'-oxiran]-4-yl (2E)-2-[(acetyloxy)methyl]but-2-enoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	165260	.	.	.	.	516.5	C27H32O10	138	1110	1.3	37	1	10	10	"InChI=1S/C27H32O10/c1-6-16(10-28)25(31)35-18-8-13(3)20-22(18)27(12-34-27)9-19(21-14(4)24(30)37-23(20)21)36-26(32)17(7-2)11-33-15(5)29/h6-8,18-23,28H,4,9-12H2,1-3,5H3/b16-6+,17-7+"	C/C=C(\\CO)/C(=O)OC1C=C(C2C1C3(CC(C4C2OC(=O)C4=C)OC(=O)/C(=C/C)/COC(=O)C)CO3)C	ARVIDAQMVLXQIX-KGMKFKQSSA-N
DG61959	CID 5458372	5458372	NSC169471	.	.	Investigative Drug(s)	Investigative	Small molecular drug	169471	.	.	.	.	363	C20H27ClN2S	33	373	.	24	1	3	5	"InChI=1S/C20H26N2S.ClH/c1-5-16-10-11-20-18(12-16)22(14-15(2)13-21(3)4)17-8-6-7-9-19(17)23-20;/h6-12,15H,5,13-14H2,1-4H3;1H"	CCC1=CC2=C(C=C1)SC3=CC=CC=C3N2CC(C)C[NH+](C)C.[Cl-]	ZVSKDFRXWJPINY-UHFFFAOYSA-N
DG61960	nor-Coralyne	5458376	"NSC169688; nor-Coralyne; 23158-19-2; CORALYNE, NOR; SCHEMBL7826957; CHEMBL1971157; DTXSID80420000; NSC-169688; Dibenzo[a, 2,3,10,11-tetramethoxy-, chloride, hemihydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	169688	.	.	.	.	385.8	C21H20ClNO4	41	475	.	27	0	5	4	"InChI=1S/C21H20NO4.ClH/c1-23-18-8-13-5-6-22-12-15-10-20(25-3)19(24-2)9-14(15)7-17(22)16(13)11-21(18)26-4;/h5-12H,1-4H3;1H/q+1;/p-1"	COC1=CC2=CC3=[N+](C=CC4=CC(=C(C=C43)OC)OC)C=C2C=C1OC.[Cl-]	DYFJAIXBMHQFNN-UHFFFAOYSA-M
DG61961	Cytochalasin a	5458383	"cytochalasin a; 14110-64-6; UNII-BV8WQ9500E; BV8WQ9500E; MFCD00005935; NSC174119; Cytochalasin A from Drechslera dematioidea; Dehydrophomin; 5-Dehydrophomin; 5,5-Didehydrophomin; Phomin, 5,5-didehydro-; EINECS 237-964-9; NSC 174119; Spectrum5_001741; CHEBI:144392; DTXSID401017587; 7(S)-Hydroxy-16(R)-methyl-10-phenyl-24-oxa(14)cytochalasa-6(12),13(E),21(E)-triene-1,20,23-trione; HY-N6773; ZINC4175678; CCG-39699; LMPK11000001; AKOS030213126; NCGC00388356-01; 24-Oxa(14)cytochalasa-6(12),13,21-triene-1,20,23-trione, 7-hydroxy-16-methyl-10-phenyl-, (7S,13E,16R,21E)-; 2H-Oxacyclotetradecino(2,3-d)isoindole-2,5,18-trione, 16-benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-13-hydroxy-9,15-dimethyl-14-methylene-; 2H-Oxacyclotetradecino(2,3-d)isoindole-2,5,18-trione, 6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-13-hydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-, (9R-(3E,9R*,11E,12aS*,13S*,15S*,15aS*,16S*,18aS*))-; benzyl-hydroxy-dimethyl-methylene-[ ]trione; CS-0091953; C19953; Cytochalasin A from Helminthosporium dematioideum; J-007460; (1S,4E,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-15-hydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,6,21-trione; (7S,13E,16R,21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa[14]cytochalasa-6(12),13,21-triene-1,20,23-trione; 16-Benzyl-13-hydroxy-9,15-dimethyl-14-methylene-8,9,10,12a,13,14,15,15a,16,17-decahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,6,18(5H,7H)-trione; 2H-Oxacyclotetradecino(2,3-d)isoindole-2,5,18-trione, 6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-13-hydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-, (3E,9R,11E,12aS,13S,15S,15aS,16S,18aS)-; 2H-Oxacyclotetradecino[2,3-d]isoindole-2,5,18-trione,6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-13-hydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-,(3E,9R,11E,12aS,13S,15S,15aS,16S,18aS)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174119	.	.	.	.	477.6	C29H35NO5	92.7	901	3.3	35	2	5	2	"InChI=1S/C29H35NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,23-24,26-27,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,23+,24+,26+,27-,29-/m1/s1"	C[C@@H]1CCCC(=O)/C=C/C(=O)O[C@]23[C@@H](/C=C/C1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)CC4=CC=CC=C4)C)O	ZMAODHOXRBLOQO-TZVKRXPSSA-N
DG61962	Cytochalasin e	5458385	"cytochalasin e; 36011-19-5; Cytochalasin E from Aspergillus clavatus; CHEBI:68201; CYTOCHALASINE; MFCD00005178; NSC175151; HSDB 3548; NSC-175151; 21,23-Dioxa(13)cytochalasa-13,19-diene-1,17,22-trione, 6,7-epoxy-18-hydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18R,19E)-; EINECS 252-835-7; NSC 175151; SCHEMBL33617; CHEMBL494856; DTXSID60894866; HY-N6772; CCG-39859; ZINC42805205; MCULE-4194934591; NCGC00380287-01; 6,7-Epoxy-10-phenyl-5,6,16,18-tetramethyl-21,23-dioxa-(13)cytochalas-13,19-diene-17,22-dione; CS-0093424; Q5201338; 21,19-diene-1,17,22-trione, 6,7-epoxy-18-hydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18R,19E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175151	.	.	.	.	495.6	C28H33NO7	115	986	3.5	36	2	7	2	"InChI=1S/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8+,14-13+/t16-,17-,19-,20-,21-,23-,26+,27+,28+/m0/s1"	C[C@H]1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@]2(C(=O)N[C@H]4CC5=CC=CC=C5)OC(=O)O/C=C/[C@@](C1=O)(C)O)C)C	LAJXCUNOQSHRJO-ZYGJITOWSA-N
DG61963	13-Hydroxydaunomycin	5458397	NSC180510; 13-Hydroxydaunomycin	.	.	Investigative Drug(s)	Investigative	Small molecular drug	180510	.	.	.	.	566	C27H32ClNO10	191	918	.	39	6	11	4	"InChI=1S/C27H31NO10.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3;1H/t10 ,11 ,14 ,16-,17 ,22 ,27-;/m0./s1"	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(C)O)O)[NH3+])O.[Cl-]	LQLMJJJLWJUAMM-FDUHLMOMSA-N
DG61964	Aspiculamycin hydrochloride	5458423	NSC200692; Aspiculamycin hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	200692	.	.	.	.	566.9	C19H31ClN8O10	296	959	.	38	10	11	11	"InChI=1S/C19H30N8O10.ClH/c1-22-4-10(30)23-7(5-28)16(34)24-8(6-29)17(35)26-11-12(31)13(32)18(37-14(11)15(21)33)27-3-2-9(20)25-19(27)36;/h2-3,7-8,11-14,18,22,28-29,31-32H,4-6H2,1H3,(H2,21,33)(H,23,30)(H,24,34)(H,26,35)(H2,20,25,36);1H"	C[NH2+]CC(=O)NC(CO)C(=O)NC(CO)C(=O)NC1C(C(C(OC1C(=O)N)N2C=CC(=NC2=O)N)O)O.[Cl-]	AQNCGSPMFHBRMY-UHFFFAOYSA-N
DG61965	cytochalasin D	5458428	"cytochalasin D; 22144-77-0; Zygosporin A; UNII-SY9F0FZ3TO; Cytohalasin D; Lygosporin A; SY9F0FZ3TO; MFCD00077706; NSC209835; C30H37NO6; HSDB 3549; 3eks; EINECS 244-804-1; NSC 209835; SCHEMBL33529; (11)Cytochalasa-6(12),13,19-triene-1,17-dione, 21-(acetyloxy)-7,18-dihydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18R,19E,21R)-; CHEMBL260287; HY-N6682; AKOS030213128; ZINC100058047; 1H-Cycloundec(d)isoindole-1,11(2H)-dione, 3-benzyl-3,3-alpha4,5,6,6-alpha,9,10,12,15-decahydro-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylene-, 15-acetate; Cytochalasin D, from Zygosporium mansonii; CS-0012977; W1020; Q5201339; (benzyl-dihydroxy-trimethyl-methylene-dioxo-[ ]yl) acetate; Cytochalasin D, from Zygosporium mansonii, >=98% (TLC and HPLC), powder; (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,151R)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate; 1H-Cycloundec(d)isoindole-1,11(2H)-dione, 15-(acetyloxy)-3,3a,4,5,6,6a,9,10,12,15-decahydro-6,12-dihydroxy-4,10,12-trimethyl-5-methylene-3-(phenylmethyl)-, (3S-(3R*,3aS*,4R*,6R*,6aS*,7E,10R*,12S*,13E,15S*,15aS*))-; 1H-Cycloundec(d)isoindole-1,11(2H)-dione, 3-benzyl-3,3-alpha,4,5,6,6-alpha,9,10,12,15-decahydro-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylene-, 15-acetate; 1H-Cycloundec[d]isoindole-1,11(2H)-dione, 15-(acetyloxy)-3,3a,4,5,6,6a,9,10,12,15-decahydro-6-12-dihydroxy-4,10,12-trimethyl-5-methylene-3-(phenylmethyl)-, (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-; 7(S),18(R)-Dihydroxy-16(S),18-dimethyl-10-phenyl(11)cytochalasa-6(12),13(E),19(E)-triene-1,17-dione 21(R)-acetate; Cytochalasin D, Ready Made Solution, from Zygosporium mansonii, 5 mg/mL in DMSO, 0.2 mum filtered"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	209835	.	.	.	.	507.6	C30H37NO6	113	996	2.7	37	3	6	4	"InChI=1S/C30H37NO6/c1-17-10-9-13-22-26(33)19(3)18(2)25-23(16-21-11-7-6-8-12-21)31-28(35)30(22,25)24(37-20(4)32)14-15-29(5,36)27(17)34/h6-9,11-15,17-18,22-26,33,36H,3,10,16H2,1-2,4-5H3,(H,31,35)/b13-9+,15-14+/t17-,18+,22-,23-,24+,25-,26+,29+,30+/m0/s1"	C[C@H]1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](/C=C/[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]3CC4=CC=CC=C4)C)O	SDZRWUKZFQQKKV-JHADDHBZSA-N
DG61966	NSC243022	5458466	"[6-[[(1S,3R,4R)-3-ethyl-3,7,10,12-tetrahydroxy-4-methoxycarbonyl-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-2-methyloxan-4-yl]-dimethylazanium;chloride; NSC243022; NSC267694; Cinerubin A hydrochloride; 34044-10-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	243022	.	.	.	.	864.3	C42H54ClNO16	239	1560	.	60	6	17	10	"InChI=1S/C42H53NO16.ClH/c1-8-42(52)16-27(31-20(35(42)41(51)53-7)13-21-32(37(31)49)38(50)34-25(46)10-9-24(45)33(34)36(21)48)57-29-14-22(43(5)6)39(18(3)55-29)59-30-15-26(47)40(19(4)56-30)58-28-12-11-23(44)17(2)54-28;/h9-10,13,17-19,22,26-30,35,39-40,45-47,49,52H,8,11-12,14-16H2,1-7H3;1H/t17 ,18 ,19 ,22 ,26 ,27-,28 ,29 ,30 ,35-,39 ,40 ,42+;/m0./s1"	CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)[NH+](C)C)O.[Cl-]	ACPRCYNYDVWPJV-BLZBDMHNSA-N
DG61967	NSC249956	5458480	"[(2S,6R,7R,9R,12R,13R)-13-(acetyloxymethyl)-12-hydroxy-9-methyl-5-methylidene-4-oxo-3,14-dioxatricyclo[7.4.1.02,6]tetradecan-7-yl] (Z)-2-(acetyloxymethyl)but-2-enoate; CHAPLIATRIN; NSC249956; 57800-56-3; DTXSID20420004"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	249956	.	.	.	.	480.5	C24H32O10	135	892	1.4	34	1	10	9	"InChI=1S/C24H32O10/c1-6-15(10-30-13(3)25)23(29)32-18-9-24(5)8-7-17(27)16(11-31-14(4)26)20(34-24)21-19(18)12(2)22(28)33-21/h6,16-21,27H,2,7-11H2,1,3-5H3/b15-6-/t16-,17-,18-,19-,20 ,21+,24-/m1/s1"	C/C=C(/COC(=O)C)\\C(=O)O[C@@H]1C[C@]2(CC[C@H]([C@H](C(O2)[C@@H]3[C@@H]1C(=C)C(=O)O3)COC(=O)C)O)C	XYDKBCJHVLMYMJ-REZVPLLZSA-N
DG61968	Oudenone K	5458488	OUDENONE K; NSC252926; Oudenone potassium salt; NSC-252926	.	.	Investigative Drug(s)	Investigative	Small molecular drug	252926	.	.	.	.	247.35	C12H16KO3+	43.4	310	.	16	0	3	2	"InChI=1S/C12H16O3.K/c1-2-3-8-4-7-11(15-8)12-9(13)5-6-10(12)14;/h8H,2-7H2,1H3;/q;+1"	CCCC1CCC(=C2C(=O)CCC2=O)O1.[K+]	CDHRIHSLIMKXKU-UHFFFAOYSA-N
DG61969	Baileyolin	5458512	"Baileyolin; FASTIGILLIN A; NSC267239; 26620-65-5; Fastigilin A; CHEMBL1997186; 6995-10-4; NSC-267239; A801529; (E)-2-methyl-2-butenoic acid (4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) ester; [1,5,8a-trimethyl-4-oxidanyl-2,8-bis(oxidanylidene)-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] (E)-2-methylbut-2-enoate; 2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,7a,8,9,9a-decahydro-9-hydroxy-3,4a,8-trimethyl-2,5-dioxoazuleno(6,5-b)furan-4-yl ester (VAN)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	267239	.	.	.	.	362.4	C20H26O6	89.9	707	2.3	26	1	6	3	"InChI=1S/C20H26O6/c1-6-9(2)18(23)26-17-14-11(4)19(24)25-16(14)15(22)10(3)12-7-8-13(21)20(12,17)5/h6-8,10-12,14-17,22H,1-5H3/b9-6+"	C/C=C(\\C)/C(=O)OC1C2C(C(=O)OC2C(C(C3C1(C(=O)C=C3)C)C)O)C	NOASRRBRAULRFQ-RMKNXTFCSA-N
DG61970	Deoxydoxorubicin	5458514	Deoxydoxorubicin; NSC267469	.	.	Investigative Drug(s)	Investigative	Small molecular drug	267469	.	.	.	.	564	C27H30ClNO10	188	945	.	39	5	11	5	"InChI=1S/C27H29NO10.ClH/c1-11-6-12(28)7-18(37-11)38-16-9-27(35,17(30)10-29)8-14-20(16)26(34)22-21(24(14)32)23(31)13-4-3-5-15(36-2)19(13)25(22)33;/h3-5,11-12,16,18,29,32,34-35H,6-10,28H2,1-2H3;1H/t11 ,12 ,16-,18 ,27-;/m0./s1"	CC1CC(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)[NH3+].[Cl-]	RCFNNLSZHVHCEK-IMHLAKCZSA-N
DG61971	NSC267709	5458520	"[(1S,5R,6R,8R,11S,12R,17S,18S)-8-acetyloxy-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] (E)-2-methylbut-2-enoate; HANNOAENONE; NSC267709; 70993-77-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	267709	.	.	.	.	534.6	C27H34O11	166	1170	0.5	38	3	11	5	"InChI=1S/C27H34O11/c1-7-10(2)22(32)37-17-15-11(3)8-14(29)20(31)25(15,6)24-26-9-35-27(24,34)19(30)12(4)16(26)18(36-13(5)28)23(33)38-21(17)26/h7-8,12,15-21,24,30-31,34H,9H2,1-6H3/b10-7+/t12-,15 ,16 ,17-,18-,19-,20-,21-,24 ,25-,26-,27 /m1/s1"	C/C=C(\\C)/C(=O)O[C@H]1[C@@H]2[C@]34COC(C3[C@@]5(C1C(=CC(=O)[C@H]5O)C)C)([C@@H]([C@@H](C4[C@H](C(=O)O2)OC(=O)C)C)O)O	VKCVPDRXEYKUOZ-ZTDJMIBNSA-N
DG61972	Variamitsin	5458528	"Variamycin; Variamitsin; NSC269146; (2S,3S)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-2-[5-hydroxy-4-[5-hydroxy-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-7-methyl-3,4-dihydro-2H-anthracen-1-one; Antibiotic 6604-9A; Mithramycin, 3-C-demethyl-4-C-methyl-; 12677-11-1; VARIAMYCIN RUSSIAN; CHEMBL1985274; NSC-269146; Mithramycin, 3(C)-demethyl-4(C)-methyl; NCI60_002187; D-arabino-Hexapyranoside,6-dideoxy-3-O-(2,6-dideoxy-.beta.-D-arabino-hexapyranosyl)-.beta.-D-arabino-hexopyranosyl]oxy]-3-(3,4-dihyroxy-1-methoxy-2-oxopentyl)-1,2,3,4-tetrahydro-8,9-dihydroxy-7-methyl-1-oxo-2-anthryl-O-2,6-dideoxy-4-methoxy-.alpha.-D-lyxo-hexopyranosyl-(1.fwdarw.3)-, .beta."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269146	.	.	.	.	1085.1	C52H76O24	347	1900	1	76	10	24	16	"InChI=1S/C52H76O24/c1-18-30(72-36-15-31(44(59)21(4)68-36)73-34-13-28(54)43(58)20(3)67-34)12-26-10-25-11-27(51(66-9)49(64)42(57)19(2)53)52(48(63)40(25)47(62)39(26)41(18)56)76-38-17-33(46(61)23(6)70-38)75-37-16-32(45(60)22(5)69-37)74-35-14-29(55)50(65-8)24(7)71-35/h10,12,19-24,27-29,31-38,42-46,50-62H,11,13-17H2,1-9H3/t19-,20 ,21 ,22 ,23 ,24 ,27+,28 ,29 ,31 ,32 ,33 ,34 ,35 ,36 ,37 ,38 ,42+,43 ,44 ,45 ,46 ,50 ,51+,52+/m1/s1"	CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC)O)C(=C4C(=C3C)O)O)O)O	NKGFIFLSQXHQOK-QGZUPYPISA-N
DG61973	NSC269756	5458531	"(1R,3R,6R,8R,12S,14R,15R,18R,19E,21Z,25R,26S,27S)-6,15-dihydroxy-18-[(1R)-1-hydroxyethyl]-5,14,26-trimethylspiro[2,10,13,17,24-pentaoxapentacyclo[23.2.1.03,8.08,26.012,14]octacosa-4,19,21-triene-27,2'-oxirane]-11,23-dione; Baccharinol; NSC269756; 63783-94-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269756	.	.	.	.	562.6	C29H38O11	157	1160	-0.1	40	3	11	1	"InChI=1S/C29H38O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h5-9,16-22,24,30-32H,10-14H2,1-4H3/b7-5+,8-6-/t16-,17-,18-,19-,20-,21-,22-,24-,26-,27-,28-,29+/m1/s1"	CC1=C[C@@H]2[C@@]3(C[C@H]1O)COC(=O)[C@@H]4[C@](O4)([C@@H](CO[C@H](/C=C/C=C\\C(=O)O[C@H]5[C@]3([C@]6(CO6)[C@@H](C5)O2)C)[C@@H](C)O)O)C	ZGOCMMMDEQOCDU-DVRXXRMKSA-N
DG61974	Prumycin hydrochloride	5458561	NSC278619; Prumycin hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	278619	.	.	.	.	255.7	C8H18ClN3O4	140	224	.	16	5	6	6	"InChI=1S/C8H17N3O4.ClH/c1-4(9)8(15)11-6(3-13)7(14)5(10)2-12;/h2,4-7,13-14H,3,9-10H2,1H3,(H,11,15);1H/t4-,5 ,6 ,7 ;/m1./s1"	C[C@H](C(=O)NC(CO)C(C(C=O)N)O)[NH3+].[Cl-]	BWDOCCNJZQOHQF-GYENTSQJSA-N
DG61975	NSC283440	5458567	"[(3aR,4R,6E,8S,10E,11aR)-8-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate; Eriofertin; NSC283440; 33880-66-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	283440	.	.	.	.	362.4	C20H26O6	93.1	684	1.3	26	2	6	4	"InChI=1S/C20H26O6/c1-5-12(3)19(23)25-17-9-14(10-21)8-15(22)6-11(2)7-16-18(17)13(4)20(24)26-16/h5,7-8,15-18,21-22H,4,6,9-10H2,1-3H3/b11-7+,12-5-,14-8+/t15-,16+,17+,18-/m0/s1"	C/C=C(/C)\\C(=O)O[C@@H]1C/C(=C\\[C@H](C/C(=C/[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)O)/CO	LMMIAIJOVZTZBV-WWPJXPMQSA-N
DG61976	"12-Hydroxy-5,9,13-trimethyl-16-methylene-4,14-dioxatricyclo(11.3.2.0(3,5))octadec-8-en-15-one"	5458570	"Sinulariolide; NSC285705; 56326-25-1; NSC 285705; CHEMBL1979790; 4,14-Dioxatricyclo[11.3.2.03,5]octadec-8-en-15-one, 12-hydroxy-5,9,13-trimethyl-16-methylene-, [1R-(1R*,3S*,5S*,8E,12S*,13R*)]-; 12-Hydroxy-5,9,13-trimethyl-16-methylene-4,14-dioxatricyclo(11.3.2.0(3,5))octadec-8-en-15-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	285705	.	.	.	.	334.4	C20H30O4	59.1	566	3	24	1	4	0	"InChI=1S/C20H30O4/c1-13-6-5-10-20(4)17(23-20)12-15-9-11-19(3,16(21)8-7-13)24-18(22)14(15)2/h6,15-17,21H,2,5,7-12H2,1,3-4H3/b13-6-"	C/C/1=C/CCC2(C(O2)CC3CCC(C(CC1)O)(OC(=O)C3=C)C)C	FONRUOAYELOHDC-MLPAPPSSSA-N
DG61977	Flexibilide	5458571	Flexibilide; Sinularin; 65669-72-9; NSC285706; Q63396268	.	.	Investigative Drug(s)	Investigative	Small molecular drug	285706	.	.	.	.	334.4	C20H30O4	59.1	566	3	24	1	4	0	"InChI=1S/C20H30O4/c1-13-6-5-10-19(3,22)17-12-15(14(2)18(21)23-17)9-11-20(4)16(24-20)8-7-13/h6,15-17,22H,2,5,7-12H2,1,3-4H3/b13-6+/t15-,16+,17-,19+,20+/m1/s1"	C/C/1=C\\CC[C@]([C@H]2C[C@@H](CC[C@]3([C@@H](O3)CC1)C)C(=C)C(=O)O2)(C)O	YKKJETNBRNDYKN-JZZWRREUSA-N
DG61978	Crassin cinnamate	5458572	Crassin cinnamate; NSC286161; NSC-286161; CRASSIN CINNAMATE B704966K110	.	.	Investigative Drug(s)	Investigative	Small molecular drug	286161	.	.	.	.	464.6	C29H36O5	72.8	845	5.3	34	1	5	4	"InChI=1S/C29H36O5/c1-20-10-8-11-21(2)18-25(33-27(30)16-15-23-13-6-5-7-14-23)24-19-26(34-28(31)22(24)3)29(4,32)17-9-12-20/h5-7,11-16,24-26,32H,3,8-10,17-19H2,1-2,4H3/b16-15+,20-12+,21-11+"	C/C/1=C\\CCC(C2CC(C(C/C(=C/CC1)/C)OC(=O)/C=C/C3=CC=CC=C3)C(=C)C(=O)O2)(C)O	OIPLHPLXYLYNND-NVVRCDLOSA-N
DG61979	Oliverine hydrochloride	5458574	NSC287450; Oliverine hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	287450	.	.	.	.	375.8	C20H22ClNO4	41.4	502	.	26	1	5	2	"InChI=1S/C20H21NO4.ClH/c1-21-7-6-11-8-15-20(25-10-24-15)17-13-5-4-12(22-2)9-14(13)19(23-3)18(21)16(11)17;/h4-5,8-9,18-19H,6-7,10H2,1-3H3;1H"	C[NH+]1CCC2=CC3=C(C4=C2C1C(C5=C4C=CC(=C5)OC)OC)OCO3.[Cl-]	XCRFUDLMWTVMSG-UHFFFAOYSA-N
DG61980	"(2R,4R,7E,9R,11S)-9-hydroxy-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one"	5458586	NSC290497	.	.	Investigative Drug(s)	Investigative	Small molecular drug	290497	.	.	.	.	264.32	C15H20O4	59.1	467	1.2	19	1	4	0	"InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12-10(7-11(8)16)9(2)14(17)18-12/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5+/t10-,11+,12 ,13+,15+/m0/s1"	C/C/1=C\\CC[C@@]2([C@H](O2)C3[C@@H](C[C@H]1O)C(=C)C(=O)O3)C	RZUCCKARTVHQBW-AFKCWZAUSA-N
DG61981	Eupacurvin	5458598	Eurecurvin; EUPACURVIN; NSC299545; NSC292663; 66922-25-6	.	.	Investigative Drug(s)	Investigative	Small molecular drug	292663	.	.	.	.	422.5	C22H30O8	119	765	0.1	30	2	8	7	"InChI=1S/C22H30O8/c1-6-11(2)21(26)29-18-7-12(3)16(25)9-17(28-14(5)24)15(10-23)8-19-20(18)13(4)22(27)30-19/h7-8,11,16-20,23,25H,4,6,9-10H2,1-3,5H3/b12-7-,15-8-/t11-,16-,17-,18+,19 ,20+/m0/s1"	CC[C@H](C)C(=O)O[C@@H]1/C=C(\\[C@H](C[C@@H](/C(=C\\C2[C@@H]1C(=C)C(=O)O2)/CO)OC(=O)C)O)/C	YZCAXCLLBWHFLS-LMOLAEIWSA-N
DG61982	NSC295427	5458616	"[(6E,10Z)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate; NULL"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295427	.	.	.	.	378.4	C20H26O7	113	686	-0.1	27	3	7	6	"InChI=1S/C20H26O7/c1-12-4-3-5-14(10-22)9-17-18(13(2)19(24)26-17)16(8-12)27-20(25)15(11-23)6-7-21/h4,6,9,16-18,21-23H,2-3,5,7-8,10-11H2,1H3/b12-4+,14-9-,15-6+"	C/C/1=C\\CC/C(=C/C2C(C(C1)OC(=O)/C(=C/CO)/CO)C(=C)C(=O)O2)/CO	RYQBYPMZWJPXAD-WBCHXHCVSA-N
DG61983	Thapsitranstagin	5458630	Thapsitranstagin; 81127-21-1; SCHEMBL21900315	.	.	Investigative Drug(s)	Investigative	Small molecular drug	299934	.	.	.	.	622.7	C32H46O12	172	1270	2.4	44	2	12	13	"InChI=1S/C32H46O12/c1-11-16(5)27(35)40-20-14-30(9,44-19(8)33)23-22(26-32(20,39)31(10,38)29(37)43-26)18(7)24(42-28(36)17(6)12-2)25(23)41-21(34)13-15(3)4/h12,15-16,20,23-26,38-39H,11,13-14H2,1-10H3/b17-12-/t16 ,20-,23+,24-,25-,26-,30-,31+,32+/m1/s1"	CCC(C)C(=O)O[C@@H]1C[C@@]([C@@H]2[C@H]([C@@H](C(=C2[C@@H]3[C@@]1([C@@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\\C)/C)OC(=O)CC(C)C)(C)OC(=O)C	XHFQVCZACDPUSC-OWKZXDOKSA-N
DG61984	7E-Mycosinyl acetate	5458646	"Santolina polyacetylene 18; 7E-Mycosinyl acetate; BOHLMANN K4097; NSC302308; NSC626608; 17089-08-6; Acetylmycosinol; SCHEMBL18539451; DTXSID10420018; CHEBI:174361; NSC-302308; NSC-626608; (7E)-7-(HEXA-2,4-DIYN-1-YLIDENE)-1,6-DIOXASPIRO[4.4]NONA-2,8-DIEN-4-YL ACETATE; [(2E)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-yl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626608	.	.	.	.	256.25	C15H12O4	44.8	612	2.2	19	0	4	3	"InChI=1S/C15H12O4/c1-3-4-5-6-7-13-8-10-15(19-13)14(9-11-17-15)18-12(2)16/h7-11,14H,1-2H3/b13-7+"	CC#CC#C/C=C/1\\C=CC2(O1)C(C=CO2)OC(=O)C	XQVRVLVORPSYNU-NTUHNPAUSA-N
DG61985	NSC304426	5458651	"[2-[2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2R,3S)-5-[[(2S,3R)-1-[[2-[4-[4-(4-aminobutylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate;tetrahydrochloride; NSC304426"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	304426	.	.	.	.	1692.4	C59H95Cl4N19O26S2	815	2900	.	110	29	38	38	"InChI=1S/C59H91N19O26S2.4ClH/c1-18-33(75-48(77-46(18)64)23(9-30(62)83)69-11-22(61)47(65)92)50(94)76-35(43(24-12-67-17-70-24)101-58-45(39(88)36(85)28(13-79)100-58)102-57-41(90)44(103-59(66)97)37(86)29(14-80)99-57)52(96)71-19(2)27(82)10-31(84)74-34(20(3)81)51(95)78-53(104-56-40(89)38(87)32(63)21(4)98-56)42(91)55-73-26(16-106-55)54-72-25(15-105-54)49(93)68-8-6-5-7-60;;;;/h12,15-17,19-23,27-29,32,34-45,53,56-58,69,79-82,85-91H,5-11,13-14,60-61,63H2,1-4H3,(H2,62,83)(H2,65,92)(H2,66,97)(H,67,70)(H,68,93)(H,71,96)(H,74,84)(H,76,94)(H,78,95)(H2,64,75,77);4*1H/t19-,20-,21 ,22+,23+,27+,28 ,29 ,32 ,34+,35+,36 ,37 ,38 ,39 ,40 ,41 ,42 ,43+,44 ,45 ,53 ,56 ,57 ,58 ;;;;/m1..../s1"	CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCCN)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)C[C@@H]([C@@H](C)NC(=O)[C@H]([C@H](C4=CN=CN4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)OC(=O)N)O)NC(=O)C7=C(C(=NC(=N7)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)N)C)O)O)O)N.Cl.Cl.Cl.Cl	RKUUPLUISZAJNH-VGDFSOHTSA-N
DG61986	"(E)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-1-ium-3-ylprop-2-en-1-amine;chloride"	5458655	NSC305352	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305352	.	.	.	.	353.7	C16H18BrClN2	17.4	293	.	20	1	2	4	"InChI=1S/C16H17BrN2.ClH/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13;/h3-10,12H,11H2,1-2H3;1H/b16-9+;"	CN(C)C/C=C(\\C1=CC=C(C=C1)Br)/C2=C[NH+]=CC=C2.[Cl-]	GELMUARXROJGSO-QOVZSLTQSA-N
DG61987	"5-Methoxy-9-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraene-4,14,15-triol;chloride"	5458657	NSC305489	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305489	.	.	.	.	325.79	C16H20ClNO4	74.4	454	.	22	4	5	1	"InChI=1S/C16H19NO4.ClH/c1-21-13-5-9-7-17-3-2-8-4-12(19)16(20)14(15(8)17)10(9)6-11(13)18;/h4-6,12,14-16,18-20H,2-3,7H2,1H3;1H"	COC1=C(C=C2C3C(C(C=C4C3[NH+](CC4)CC2=C1)O)O)O.[Cl-]	JARKVZLSZVTMPN-UHFFFAOYSA-N
DG61988	Ansamitocin derivative TN-006	5458681	20-O-Demethyl-AP3; Ansamitocin derivative TN-006; NSC314018; 72902-38-6; HY-139105; CS-0179606	.	.	Investigative Drug(s)	Investigative	Small molecular drug	314018	.	.	.	.	621.1	C31H41ClN2O9	147	1130	2.8	43	3	9	4	"InChI=1S/C31H41ClN2O9/c1-16(2)28(37)42-24-14-25(36)34(6)20-12-19(13-21(35)26(20)32)11-17(3)9-8-10-23(40-7)31(39)15-22(41-29(38)33-31)18(4)27-30(24,5)43-27/h8-10,12-13,16,18,22-24,27,35,39H,11,14-15H2,1-7H3,(H,33,38)/b10-8+,17-9+/t18-,22+,23-,24+,27+,30+,31+/m1/s1"	C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)O)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C(C)C)C)\\C)OC)(NC(=O)O2)O	YQVKSZNVVCIETH-PRWXLFGZSA-N
DG61989	Geldamamycin derivative	5458696	NSC320877; 71952-92-6; Geldamamycin derivative	.	.	Investigative Drug(s)	Investigative	Small molecular drug	320877	.	.	.	.	608.1	C30H42ClN3O8	166	1190	2.6	42	4	9	7	"InChI=1S/C30H42ClN3O8/c1-16-12-20-25(33-11-10-31)22(35)15-21(27(20)37)34-29(38)17(2)8-7-9-23(40-5)28(42-30(32)39)19(4)14-18(3)26(36)24(13-16)41-6/h7-9,14-16,18,23-24,26,28,33,36H,10-13H2,1-6H3,(H2,32,39)(H,34,38)/b9-7-,17-8+,19-14+/t16-,18-,23-,24-,26+,28-/m1/s1"	C[C@H]1C[C@H]([C@H]([C@@H](/C=C(/[C@H]([C@@H](/C=C\\C=C(\\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCCl)/C)OC)OC(=O)N)\\C)C)O)OC	NDSRHDSAGOYHHW-WIPOOOSFSA-N
DG61990	Woodhousin	5458698	NSC322918; WOODHOUSIN; 33143-54-3	.	.	Investigative Drug(s)	Investigative	Small molecular drug	322918	.	.	.	.	408.4	C21H28O8	108	784	1.5	29	1	8	5	"InChI=1S/C21H28O8/c1-10(2)18(23)28-15-8-20(6)9-16(26-13(5)22)21(25,29-20)11(3)7-14-17(15)12(4)19(24)27-14/h7,10,14-17,25H,4,8-9H2,1-3,5-6H3/b11-7+/t14-,15-,16+,17+,20 ,21 /m1/s1"	C/C/1=C\\[C@@H]2[C@@H]([C@@H](CC3(C[C@@H](C1(O3)O)OC(=O)C)C)OC(=O)C(C)C)C(=C)C(=O)O2	FFEWGNMVSRKASV-JMWXPFDVSA-N
DG61991	"Roridin A, 8-hydroxy-9-beta,10-beta-epoxy-"	5458716	"NSC327993; 87532-31-8; Roridin A, 8-hydroxy-9-beta,10-beta-epoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	327993	.	.	.	.	564.6	C29H40O11	157	1110	0.8	40	3	11	1	"InChI=1S/C29H40O11/c1-15-9-10-35-17(16(2)30)7-5-6-8-21(32)38-19-11-20-29(14-37-29)27(19,4)28(13-36-25(34)22(15)33)12-18(31)26(3)23(40-26)24(28)39-20/h5-8,15-20,22-24,30-31,33H,9-14H2,1-4H3/b7-5+,8-6-/t15-,16 ,17 ,18-,19-,20-,22+,23+,24-,26-,27-,28-,29-/m1/s1"	C[C@@H]1CCOC(/C=C/C=C\\C(=O)O[C@@H]2C[C@@H]3[C@@]4([C@]2([C@]5(C[C@H]([C@@]6([C@H]([C@H]5O3)O6)C)O)COC(=O)[C@H]1O)C)CO4)C(C)O	DYIWWIJYZCGJAG-XOHHJFHKSA-N
DG61992	NSC329690	5458723	"[(1R,2R,4R,5S,7R,8R,9Z,11R)-8-acetyloxy-4-hydroxy-4,9-dimethyl-14-methylidene-13-oxo-6,12-dioxatricyclo[9.3.0.05,7]tetradec-9-en-2-yl] (Z)-2-methylbut-2-enoate; NSC329690; ACETYLTIFRUTICIN; 56377-59-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329690	.	.	.	.	420.5	C22H28O8	112	840	1.5	30	1	8	5	"InChI=1S/C22H28O8/c1-7-10(2)20(24)29-15-9-22(6,26)19-18(30-19)17(27-13(5)23)11(3)8-14-16(15)12(4)21(25)28-14/h7-8,14-19,26H,4,9H2,1-3,5-6H3/b10-7-,11-8-/t14-,15-,16+,17-,18-,19+,22-/m1/s1"	C/C=C(/C)\\C(=O)O[C@@H]1C[C@@]([C@@H]2[C@H](O2)[C@@H](/C(=C\\[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)OC(=O)C)(C)O	FGHHYGLRTWXEOP-HBWQEACLSA-N
DG61993	NSC329691	5458724	"[(1S,2E,4R,8R,9R,11R,12S)-12-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate; NSC329694; HM-4; HM-8; NSC329691; 78657-58-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329691	.	.	.	.	362.4	C20H26O6	82.1	705	1.9	26	1	6	3	"InChI=1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(21)8-13(26-20)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6-,11-7+/t13-,14+,15+,16-,17-,20+/m0/s1"	C/C=C(/C)\\C(=O)O[C@@H]1C[C@@]2([C@H](C[C@H](O2)/C(=C/[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)O)C	UEFXHAIMDIUNBV-CYPPWUTFSA-N
DG61994	Deoxytifruticin	5458725	Deoxytifruticin; NSC329692; 56377-63-0; ZINC104215118	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329692	.	.	.	.	362.4	C20H26O6	93.1	701	1.7	26	2	6	3	"InChI=1S/C20H26O6/c1-6-11(2)18(22)26-16-10-20(5,24)8-7-14(21)12(3)9-15-17(16)13(4)19(23)25-15/h6-9,14-17,21,24H,4,10H2,1-3,5H3/b8-7+,11-6-,12-9-/t14-,15+,16+,17-,20-/m0/s1"	C/C=C(/C)\\C(=O)O[C@@H]1C[C@@](/C=C/[C@@H](/C(=C\\[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)O)(C)O	QUQPZVOBOIBITF-FYGHCHNPSA-N
DG61995	NSC329695	5458727	"[(3aR,4R,6R,7S,9S,10Z,11aR)-6,7,9-trihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate; NSC329695; HM-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329695	.	.	.	.	380.4	C20H28O7	113	692	0.9	27	3	7	3	"InChI=1S/C20H28O7/c1-6-10(2)18(23)27-15-9-20(5,25)16(22)8-13(21)11(3)7-14-17(15)12(4)19(24)26-14/h6-7,13-17,21-22,25H,4,8-9H2,1-3,5H3/b10-6-,11-7-/t13-,14+,15+,16-,17-,20+/m0/s1"	C/C=C(/C)\\C(=O)O[C@@H]1C[C@@]([C@H](C[C@@H](/C(=C\\[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)O)O)(C)O	SVVYQGVHECGYCJ-IHGBIZJZSA-N
DG61996	NSC330499	5458728	"[(4E,6Z,8S,10E,12R,13S,14R,16S,17R)-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate; Macbecin I; 73341-72-7; NSC330499; SCHEMBL2682385; Q6722788"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	330499	.	.	.	.	558.7	C30H42N2O8	143	1130	2.7	40	2	8	5	"InChI=1S/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9-,17-11+,18-12+/t16-,19+,20-,24+,26 ,27+,28-/m0/s1"	C[C@H]1C[C@H]([C@H]([C@@H](/C=C(/C([C@H](/C=C\\C=C(\\C(=O)NC2=CC(=O)C=C([C@@H]1OC)C2=O)/C)C)OC(=O)N)\\C)C)OC)OC	PLTGBUPHJAKFMA-OEPVMNMSSA-N
DG61997	"N,N'-Dimethylgeldanamycin GLD-91-III"	5458731	"NSC330512; 75747-32-9; N,N'-Dimethylgeldanamycin GLD-91-III"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	330512	.	.	.	.	588.7	C31H44N2O9	141	1200	2.6	42	2	9	5	"InChI=1S/C31H44N2O9/c1-17-13-21-27(36)22(16-23(34)29(21)41-9)33(6)30(37)18(2)11-10-12-24(39-7)28(42-31(38)32-5)20(4)15-19(3)26(35)25(14-17)40-8/h10-12,15-17,19,24-26,28,35H,13-14H2,1-9H3,(H,32,38)/b12-10-,18-11+,20-15+/t17-,19-,24-,25-,26+,28-/m1/s1"	C[C@H]1C[C@H]([C@H]([C@@H](/C=C(/[C@H]([C@@H](/C=C\\C=C(\\C(=O)N(C2=CC(=O)C(=C(C1)C2=O)OC)C)/C)OC)OC(=O)NC)\\C)C)O)OC	JBZNHISLXXXJTM-RIDVMNOGSA-N
DG61998	NSC331120	5458732	"[(1S,2R,7R,9R,11S,12R)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (2E,4E)-7-hydroxy-6-[2-(5-oxo-2H-furan-3-yl)ethoxy]octa-2,4-dienoate; NSC331120; Trichothec-9-ene-14,15-diol, 12,13-epoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	331120	.	.	.	.	530.6	C29H38O9	124	1080	0.9	38	2	9	11	"InChI=1S/C29H38O9/c1-18-8-10-28(16-30)23(12-18)37-24-14-22(27(28,3)29(24)17-36-29)38-25(32)7-5-4-6-21(19(2)31)34-11-9-20-13-26(33)35-15-20/h4-7,12-13,19,21-24,30-31H,8-11,14-17H2,1-3H3/b6-4+,7-5+/t19 ,21 ,22-,23+,24+,27+,28+,29+/m0/s1"	CC1=C[C@@H]2[C@](CC1)([C@]3([C@H](C[C@H]([C@]34CO4)O2)OC(=O)/C=C/C=C/C(C(C)O)OCCC5=CC(=O)OC5)C)CO	JGIYRVDWRBKREW-PFMYMGBVSA-N
DG61999	NSC332598	5458746	"(1R,3R,5S,8R,10R,11R,13S,14E,16S,17S)-10-hydroxy-8-[(2R,3S,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.03,5.011,13]henicos-14-ene-6,19-dione; NSC332598"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332598	.	.	.	.	625.7	C35H47NO9	133	1210	5.5	45	1	10	7	"InChI=1S/C35H47NO9/c1-19(13-25-18-41-23(5)36-25)9-8-10-21(3)32(40-7)22(4)27-17-29(37)35(6)30(45-35)12-11-20(2)26-14-24(16-31(38)42-26)15-28-33(43-28)34(39)44-27/h8-13,18,20,22,24,26-30,32-33,37H,14-17H2,1-7H3/b9-8+,12-11+,19-13+,21-10+/t20-,22+,24+,26-,27+,28+,29+,30-,32+,33-,35+/m0/s1"	C[C@H]1/C=C/[C@H]2[C@](O2)([C@@H](C[C@@H](OC(=O)[C@@H]3[C@H](O3)C[C@H]4C[C@@H]1OC(=O)C4)[C@@H](C)[C@@H](/C(=C/C=C/C(=C/C5=COC(=N5)C)/C)/C)OC)O)C	OWPCHSCAPHNHAV-OHEKBZNASA-N
DG62000	2-Methylolivacinium acetate	5458752	"NSC336003; 2-Methylolivacinium acetate; 81531-65-9; CHEMBL307781; DTXSID60420023; NSC-336003; Olivacinium acetate-NB methyl RB 544; 6H-Pyrido[4, 1,2,5-trimethyl-, acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	336003	.	.	.	.	320.4	C20H20N2O2	59.8	394	.	24	1	2	0	"InChI=1S/C18H16N2.C2H4O2/c1-11-13-8-9-20(3)12(2)15(13)10-16-14-6-4-5-7-17(14)19-18(11)16;1-2(3)4/h4-10H,1-3H3;1H3,(H,3,4)"	CC1=C2C=C[N+](=C(C2=CC3=C1NC4=CC=CC=C43)C)C.CC(=O)[O-]	VBCXQSFIAPPUNG-UHFFFAOYSA-N
DG62001	Cristatic acid	5458761	Cristatic acid; 80557-13-7; NSC338268; NSC 338268; CHEMBL1985180; ZINC1578028; NSC-338268; CRISTATIC ACID -1 (PERMETHYL DERIV )	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338268	.	.	.	.	384.5	C23H28O5	90.9	578	6.7	28	3	5	8	"InChI=1S/C23H28O5/c1-14(2)10-18-12-17(13-28-18)7-5-6-15(3)8-9-19-20(24)11-16(4)21(22(19)25)23(26)27/h8,10-13,24-25H,5-7,9H2,1-4H3,(H,26,27)/b15-8+"	CC1=CC(=C(C(=C1C(=O)O)O)C/C=C(\\C)/CCCC2=COC(=C2)C=C(C)C)O	SHLSLIGKNZUPMK-OVCLIPMQSA-N
DG62002	Permethyl deriv. of cristatic acid	5458762	NSC338269; Permethyl deriv. of cristatic acid; CRISTATIC ACID -2 (PERMETHYL DERIV ); CHEMBL1972743; Cristatic acid permethyl derivative; ZINC1578029; NSC-338269; 80557-11-5	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338269	.	.	.	.	426.5	C26H34O5	57.9	621	7.1	31	0	5	11	"InChI=1S/C26H34O5/c1-17(2)13-21-15-20(16-31-21)10-8-9-18(3)11-12-22-23(28-5)14-19(4)24(25(22)29-6)26(27)30-7/h11,13-16H,8-10,12H2,1-7H3/b18-11+"	CC1=CC(=C(C(=C1C(=O)OC)OC)C/C=C(\\C)/CCCC2=COC(=C2)C=C(C)C)OC	JFBRWQVSNGZWSC-WOJGMQOQSA-N
DG62003	Psoralen derivative	5458787	NSC341960; Psoralen derivative	.	.	Investigative Drug(s)	Investigative	Small molecular drug	341960	.	.	.	.	337.8	C17H20ClNO4	53.1	421	.	23	1	5	6	"InChI=1S/C17H19NO4.ClH/c1-3-18(4-2)8-10-21-17-12-5-6-16(19)22-15(12)11-14-13(17)7-9-20-14;/h5-7,9,11H,3-4,8,10H2,1-2H3;1H"	CC[NH+](CC)CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3.[Cl-]	DWAOUXYZOSPAOH-UHFFFAOYSA-N
DG62004	Liscundritin	5458805	NSC354051; Liscundritin; 57498-88-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	354051	.	.	.	.	434.4	C22H26O9	124	887	0	31	1	9	7	"InChI=1S/C22H26O9/c1-5-12(9-27-11(3)24)21(26)29-15-7-22(4)19(31-22)18-17(30-18)13(8-23)6-14-16(15)10(2)20(25)28-14/h5-6,14-19,23H,2,7-9H2,1,3-4H3/b12-5-,13-6+/t14-,15-,16+,17+,18+,19+,22 /m1/s1"	C/C=C(/COC(=O)C)\\C(=O)O[C@@H]1CC2([C@@H](O2)[C@@H]3[C@@H](O3)/C(=C/[C@@H]4[C@@H]1C(=C)C(=O)O4)/CO)C	XUMWIQSSHLAZBI-CSKSMPFCSA-N
DG62005	Erlancorin	5458808	"Cordifene; 65522-32-9; Erlancorin; [(1R,2R,6S,7S,9S,11S,12S)-11-Hydroxy-4-methyl-10,15-dimethylidene-14-oxo-5,8,13-trioxatetracyclo[10.3.0.04,6.07,9]pentadecan-2-yl] (Z)-2-methylbut-2-enoate; NSC354437; NSC 354437; 2-Butenoic acid, 2-methyl-, dodecahydro-4-hydroxy-9a-methyl-3,7-bis(methylene)-6-oxobisoxireno(5,6:7,8)cyclodeca(1,2-b)furan-8-yl ester, (1aR-(1aR*,1bS*,2aS*,4S*,4aS*,7aR*,8S*(Z),9aR*))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	354437	.	.	.	.	376.4	C20H24O7	97.9	768	1	27	1	7	3	"InChI=1S/C20H24O7/c1-6-8(2)18(22)24-11-7-20(5)17(27-20)16-14(25-16)10(4)13(21)15-12(11)9(3)19(23)26-15/h6,11-17,21H,3-4,7H2,1-2,5H3/b8-6-/t11-,12-,13+,14+,15+,16+,17+,20 /m1/s1"	C/C=C(/C)\\C(=O)O[C@@H]1CC2([C@@H](O2)[C@@H]3[C@@H](O3)C(=C)[C@@H]([C@@H]4[C@@H]1C(=C)C(=O)O4)O)C	RKAXEWSQYMGBAP-QWWMICPUSA-N
DG62006	NSC354462	5458809	"(2S,3S,5R,7R,9Z)-2,3,16-trihydroxy-18-methoxy-12-methyl-6,13-dioxatricyclo[13.4.0.05,7]nonadeca-1(15),9,16,18-tetraene-8,14-dione; NSC354462; SCHEMBL17165479"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	354462	.	.	.	.	378.4	C19H22O8	126	590	1.4	27	3	8	1	"InChI=1S/C19H22O8/c1-9-4-3-5-12(20)18-15(27-18)8-14(22)17(23)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3/b5-3-/t9 ,14-,15+,17-,18-/m0/s1"	CC1C/C=C\\C(=O)[C@H]2[C@H](O2)C[C@@H]([C@H](C3=C(C(=CC(=C3)OC)O)C(=O)O1)O)O	HDZUUVQEDFZKAX-NGAXKMIMSA-N
DG62007	"3-[(9-Amino-7-ethoxyacridin-3-yl)diazenyl]pyridine-2,6-diamine;chloride"	5458812	NSC354961	.	.	Investigative Drug(s)	Investigative	Small molecular drug	354961	.	.	.	.	408.9	C20H19ClN7O-	138	547	.	29	3	9	4	"InChI=1S/C20H19N7O.ClH/c1-2-28-12-4-6-15-14(10-12)19(22)13-5-3-11(9-17(13)24-15)26-27-16-7-8-18(21)25-20(16)23;/h3-10H,2H2,1H3,(H2,22,24)(H4,21,23,25);1H/p-1"	CCOC1=CC2=C(C3=C(C=C(C=C3)N=NC4=C(N=C(C=C4)N)N)N=C2C=C1)N.[Cl-]	HYTMVPCGCCQGST-UHFFFAOYSA-M
DG62008	5-[1-Hydroxy-2-(propan-2-ylamino)ethyl]quinolin-1-ium-8-ol;chloride	5458816	NSC355081	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355081	.	.	.	.	282.76	C14H19ClN2O2	66.6	260	.	19	4	4	4	"InChI=1S/C14H18N2O2.ClH/c1-9(2)16-8-13(18)10-5-6-12(17)14-11(10)4-3-7-15-14;/h3-7,9,13,16-18H,8H2,1-2H3;1H"	CC(C)NCC(C1=C2C=CC=[NH+]C2=C(C=C1)O)O.[Cl-]	ZXJJXRFJIDRFPY-UHFFFAOYSA-N
DG62009	Quettamine	5458827	QUETTAMINE; NSC357090; 82373-02-2; CHEMBL1979503; DTXSID40420026; NSC-357090	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357090	.	.	.	.	439.3	C19H22INO3	38.7	432	.	24	1	4	2	"InChI=1S/C19H21NO3.HI/c1-20(2)11-10-12-6-9-15(22-3)19-16(12)17(20)18(23-19)13-4-7-14(21)8-5-13;/h4-9,17-18H,10-11H2,1-3H3;1H/t17-,18+;/m0./s1"	C[N+]1(CCC2=C3[C@H]1[C@H](OC3=C(C=C2)OC)C4=CC=C(C=C4)O)C.[I-]	VCPBPWIUAQRYEF-CJRXIRLBSA-N
DG62010	Thapsuine A	5458837	Thapsuine A; 76429-00-0; NSC357826; DTXSID00420027	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357826	.	.	.	.	1073.3	C54H88O21	326	2070	0.3	75	12	21	11	"InChI=1S/C54H88O21/c1-24-32(57)35(60)38(63)45(69-24)75-43-34(59)27(21-67-44-40(65)37(62)42(25(2)70-44)74-46-39(64)36(61)33(58)26(20-55)71-46)72-47(41(43)66)73-31-11-12-49(5)28(50(31,6)22-56)9-13-51(7)29(49)10-14-54-30-19-48(3,4)15-17-53(30,23-68-54)18-16-52(51,54)8/h10,14,24-47,55-66H,9,11-13,15-23H2,1-8H3/t24 ,25 ,26 ,27 ,28-,29-,30-,31+,32 ,33 ,34 ,35 ,36 ,37 ,38 ,39 ,40 ,41 ,42 ,43 ,44 ,45 ,46 ,47 ,49+,50+,51-,52+,53-,54+/m1/s1"	CC1C(C(C(C(O1)OC2C(C(OC(C2O)O[C@H]3CC[C@]4([C@H]([C@]3(C)CO)CC[C@@]5([C@@H]4C=C[C@@]67[C@]5(CC[C@@]8([C@H]6CC(CC8)(C)C)CO7)C)C)C)COC9C(C(C(C(O9)C)OC1C(C(C(C(O1)CO)O)O)O)O)O)O)O)O)O	AGRBCEPQHVINNI-XQGZWKFBSA-N
DG62011	Ellipticine derivative	5458841	"NSC359449; NSC-359449; Ellipticine derivative; SCHEMBL6115104; CHEMBL1789988; ELLIPTICINE DERIV SRI-NB-B233-55-29; 6H-Pyrido[4, 2-[2-(diethylamino)ethyl]-5,11-dimethyl-, acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	359449	.	.	.	.	405.5	C25H31N3O2	63	488	.	30	1	3	5	"InChI=1S/C23H27N3.C2H4O2/c1-5-25(6-2)13-14-26-12-11-18-17(4)23-22(16(3)20(18)15-26)19-9-7-8-10-21(19)24-23;1-2(3)4/h7-12,15H,5-6,13-14H2,1-4H3;1H3,(H,3,4)"	CCN(CC)CC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.CC(=O)[O-]	AYAVXPINCQECJI-UHFFFAOYSA-N
DG62012	Iridogermanal	5458843	"IRIDOGERMANAL; NSC360038; 81456-98-6; (2Z)-2-[4-hydroxy-2-(3-hydroxypropyl)-3-[(3E,7E)-10-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dimethylcyclohexylidene]propanal; SCHEMBL168540; CHEMBL1980941; DTXSID60420028; NSC-360038"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	360038	.	.	.	.	474.7	C30H50O4	77.8	784	5.8	34	3	4	13	"InChI=1S/C30H50O4/c1-22(2)19-26(33)20-24(4)12-8-11-23(3)13-9-16-29(6)28(14-10-18-31)27(25(5)21-32)15-17-30(29,7)34/h12-13,19,21,26,28,31,33-34H,8-11,14-18,20H2,1-7H3/b23-13+,24-12+,27-25-"	CC(=CC(C/C(=C/CC/C(=C/CCC1(C(/C(=C(/C)\\C=O)/CCC1(C)O)CCCO)C)/C)/C)O)C	CMKAMRUVQONAPO-FALQBROGSA-N
DG62013	NSC360852	5458846	"(1R,4S,5R,9S,10S,15S)-5,9-dimethyl-15-[(Z)-2-methylbut-2-enoyl]oxy-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid; Angeloxygrandifloric acid; NSC360852"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	360852	.	.	.	.	400.5	C25H36O4	63.6	782	5.7	29	1	4	4	"InChI=1S/C25H36O4/c1-6-15(2)21(26)29-20-16(3)17-8-9-19-23(4)11-7-12-24(5,22(27)28)18(23)10-13-25(19,20)14-17/h6,17-20H,3,7-14H2,1-2,4-5H3,(H,27,28)/b15-6-/t17 ,18-,19-,20-,23+,24+,25+/m0/s1"	C/C=C(/C)\\C(=O)O[C@H]1C(=C)C2CC[C@@H]3[C@]1(C2)CC[C@H]4[C@]3(CCC[C@@]4(C)C(=O)O)C	BJWJSOYJPSJWKC-ZGQIHMNCSA-N
DG62014	CID 5458859	5458859	NSC363979	.	.	Investigative Drug(s)	Investigative	Small molecular drug	363979	.	.	.	.	911.2	C54H74N2O10	181	2170	3.7	66	5	12	1	"InChI=1S/C54H74N2O10/c1-26-32-13-14-33-30-11-9-28-15-37-40(21-49(28,7)35(30)18-42(59)51(32,33)25-63-53(26)43(60)22-46(3,4)65-53)56-38-16-29-10-12-31-34(48(29,6)20-39(38)55-37)17-41(58)50(8)36(31)19-45-52(50,62)27(2)54(64-45)44(61)23-47(5,24-57)66-54/h14,19,26-32,34-35,41,43-45,57-58,60-62H,9-13,15-18,20-25H2,1-8H3/t26-,27-,28-,29-,30-,31+,32+,34-,35-,41+,43+,44+,45-,47-,48-,49-,50+,51+,52+,53-,54-/m0/s1"	C[C@H]1[C@H]2CC=C3[C@]2(CO[C@@]14[C@@H](CC(O4)(C)C)O)C(=O)C[C@H]5[C@H]3CC[C@@H]6[C@@]5(CC7=NC8=C(C[C@]9([C@H](C8)CC[C@@H]1[C@@H]9C[C@H]([C@]2(C1=C[C@H]1[C@@]2([C@@H]([C@@]2(O1)[C@@H](C[C@@](O2)(C)CO)O)C)O)C)O)C)N=C7C6)C	HHBSFXFIMWLBAI-QZTIEDAYSA-N
DG62015	"Tetracenomycin C, aminobutyryl derivative"	5458866	"NSC365356; Tetracenomycin C, aminobutyryl derivative"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	365356	.	.	.	.	575.9	C27H26ClNO11	190	1160	.	40	3	12	8	"InChI=1S/C27H25NO11.ClH/c1-10(28)6-17(30)39-24-15(37-4)9-16(29)27(35)21(24)22(31)13-7-12-8-14(36-3)19(26(34)38-5)11(2)18(12)23(32)20(13)25(27)33;/h7-10,32,35H,6,28H2,1-5H3;1H"	CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)C4(C(=O)C=C(C(=C4C3=O)OC(=O)CC(C)[NH3+])OC)O)OC)C(=O)OC.[Cl-]	FTVKQYHEOUTFNU-UHFFFAOYSA-N
DG62016	NSC366739	5458867	"(1R,3E,6R,7E,9S,11E,14S,16R,17S,18R,19S)-6-hydroxy-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-triene-2,5,21-trione; Chaetoglobosin A; 50335-03-0; NSC366739"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	366739	.	.	.	.	528.6	C32H36N2O5	112	1140	3.7	39	3	5	2	"InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37H,8,15H2,1-4H3,(H,34,38)/b10-7+,13-12+,18-14+/t17-,19-,22 ,24-,27-,28+,29-,31+,32+/m0/s1"	C[C@H]\\1C/C=C/C2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)/C=C/C(=O)[C@@H](/C(=C1)/C)O)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C	OUMWCYMRLMEZJH-VIRVUJSBSA-N
DG62017	Quassinoid SUN 0237	5458870	Quassinoid SUN 0237; NSC368671	.	.	Investigative Drug(s)	Investigative	Small molecular drug	368671	.	.	.	.	572.7	C32H44O9	140	1160	3.6	41	3	9	11	"InChI=1S/C32H44O9/c1-5-6-7-8-9-10-11-12-13-14-23(34)41-25-24-19(3)26(35)32(38)29-30(4)20(18(2)15-21(33)27(30)36)16-22(40-28(25)37)31(24,29)17-39-32/h12-13,15,20,22,24-27,29,35-36,38H,3,5-11,14,16-17H2,1-2,4H3/b13-12+/t20-,22+,24+,25+,26+,27+,29+,30+,31-,32 /m0/s1"	CCCCCCCC/C=C/CC(=O)O[C@@H]1[C@H]2C(=C)[C@H](C3([C@H]4[C@@]2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O	RULBXOABLNFKRW-CBVGSOAMSA-N
DG62018	Quassinoid SUN 2071	5458871	"NSC368672; Quassinoid SUN 2071; Sun 2071; (trihydroxy-dimethyl-methylene-dioxo-[ ]yl) (E)-4-methylnon-3-enoate; 3-Nonenoic acid, 4-methyl-, (1R,2R,3aS,4R,6aR,7aS,11S,11aS,11bR,11cS)-1,3,3a,4,5,6a,7,7a,10,11,11a,11b-dodecahydro-1,2,11-trihydroxy-8,11a-dimethyl-3-methylene-5,10-dioxo-2H-1,11c-(epoxymethano)phenanthro[10,1-bc]pyran-4-yl ester, (3E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	368672	.	.	.	.	544.6	C30H40O9	140	1160	2.6	39	3	9	8	"InChI=1S/C30H40O9/c1-6-7-8-9-15(2)10-11-21(32)39-23-22-17(4)24(33)30(36)27-28(5)18(16(3)12-19(31)25(28)34)13-20(38-26(23)35)29(22,27)14-37-30/h10,12,18,20,22-25,27,33-34,36H,4,6-9,11,13-14H2,1-3,5H3/b15-10+/t18-,20+,22+,23+,24+,25+,27+,28+,29-,30 /m0/s1"	CCCCC/C(=C/CC(=O)O[C@@H]1[C@H]2C(=C)[C@H](C3([C@H]4[C@@]2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O)/C	JNBOCJQZCHEASA-QOOQSHFOSA-N
DG62019	Dillapional	5458880	"DILLAPIONAL; NSC369504; 38971-74-3; (E)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-enal; SCHEMBL7191379; CHEMBL1983011; DTXSID50420032; CHEBI:172477; ZINC1587154; NSC-369504"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	369504	.	.	.	.	236.22	C12H12O5	54	291	1.6	17	0	5	4	"InChI=1S/C12H12O5/c1-14-10-8(4-3-5-13)6-9-11(12(10)15-2)17-7-16-9/h3-6H,7H2,1-2H3/b4-3+"	COC1=C(C2=C(C=C1/C=C/C=O)OCO2)OC	UQBPCDWQJZVCPU-ONEGZZNKSA-N
DG62020	Baccharinoid A-1	5458898	NSC375726; Baccharinoid A-1; 93633-91-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	375726	.	.	.	.	590.7	C31H42O11	150	1190	1.2	42	2	11	3	"InChI=1S/C31H42O11/c1-18-10-11-30-16-38-27(36)14-28(4,42-20(3)33)22(34)15-37-21(19(2)32)8-6-7-9-26(35)41-23-13-25(40-24(30)12-18)31(17-39-31)29(23,30)5/h6-9,12,19,21-25,32,34H,10-11,13-17H2,1-5H3/b8-6+,9-7-/t19 ,21 ,22 ,23-,24-,25-,28 ,29-,30-,31+/m1/s1"	CC1=C[C@@H]2[C@@]3(CC1)COC(=O)CC(C(COC(/C=C/C=C\\C(=O)O[C@H]4[C@]3([C@]5(CO5)[C@@H](C4)O2)C)C(C)O)O)(C)OC(=O)C	XGOQVDSNQJJHTN-DCKNRJOQSA-N
DG62021	NSC406034	5458946	"(1R,12R,13S)-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol;chloride; NSC406034"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	406034	.	.	.	.	389.8	C20H20ClNO5	61.6	560	.	27	2	6	0	"InChI=1S/C20H19NO5.ClH/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21;/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3;1H/t14-,18-,19+;/m1./s1"	C[NH+]1CC2=C(C=CC3=C2OCO3)[C@H]4[C@@H]1C5=CC6=C(C=C5C[C@H]4O)OCO6.[Cl-]	LVURMIFHBFKWNP-CIVDVNSDSA-N
DG62022	"Methyl 18-hydroxy-3,11,12,13,14,15,16,17,18,19,20,21-dodecahydro-1H-yohimban-13-ium-19-carboxylate;chloride"	5458953	"6363-59-3; Methyl 18-hydroxy-3,11,12,13,14,15,16,17,18,19,20,21-dodecahydro-1H-yohimban-13-ium-19-carboxylate;chloride; NSC407307"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407307	.	.	.	.	390.9	C21H27ClN2O3	66.8	555	.	27	3	4	2	"InChI=1S/C21H26N2O3.ClH/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H"	COC(=O)C1C(CCC2C1CC3C4=C(CC[NH+]3C2)C5=CC=CC=C5N4)O.[Cl-]	PIPZGJSEDRMUAW-UHFFFAOYSA-N
DG62023	3-Hexenediamide	5458982	NSC516382; 3-Hexenediamide; (E)-hex-3-enediamide; NSC-516382; 29221-23-6; .beta.-Hydromuconamide; SCHEMBL1899759; CHEMBL1967044; SCHEMBL14842937; ZINC1755247; CCG-36590; NCI516382; NSC218388; AKOS006338595; NSC-218388; 25129-30-0	.	.	Investigative Drug(s)	Investigative	Small molecular drug	516382	.	.	.	.	142.16	C6H10N2O2	86.2	145	-1.4	10	2	2	4	"InChI=1S/C6H10N2O2/c7-5(9)3-1-2-4-6(8)10/h1-2H,3-4H2,(H2,7,9)(H2,8,10)/b2-1+"	C(/C=C/CC(=O)N)C(=O)N	MQNQJAWLPVZCKN-OWOJBTEDSA-N
DG62024	Aureolic acid magnesium salt	5458984	Aureolic acid magnesium salt; NSC526598	.	.	Investigative Drug(s)	Investigative	Small molecular drug	526598	.	.	.	.	1107.4	C52H74MgO24	364	1940	.	77	9	24	15	"InChI=1S/C52H76O24.Mg/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37;/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3;/q;+2/p-2/t19-,20 ,21 ,22 ,23 ,24 ,27+,28 ,30 ,31 ,32 ,33 ,34 ,35 ,36 ,37 ,41+,42 ,43 ,44 ,45 ,49+,50+,51 ,52 ;/m1./s1"	CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)[O-])[O-])O)O.[Mg+2]	ZZEUXCADAQWJFE-NRNRBEOXSA-L
DG62025	NSC528004	5458986	"hydrogen sulfate;methyl (13S,15R,16R,18S)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8-methyl-16-aza-8-azoniapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene-13-carboxylate; NSC528004; VINLEUROSINE SULFATE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	528004	.	.	.	.	907	C46H58N4O13S	233	1820	.	64	4	15	10	"InChI=1S/C46H56N4O9.H2O4S/c1-8-42-16-12-18-50-20-17-44(37(42)50)30-21-31(34(55-5)22-33(30)48(4)38(44)46(54,41(53)57-7)39(42)58-26(3)51)45(40(52)56-6)23-27-24-49(25-43(9-2)36(27)59-43)19-15-29-28-13-10-11-14-32(28)47-35(29)45;1-5(2,3)4/h10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3;(H2,1,2,3,4)/t27-,36-,37+,38-,39-,42-,43+,44-,45+,46+;/m1./s1"	CC[C@]12CN3CCC4=C([C@](C[C@H](C3)[C@H]1O2)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8[NH+]6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C41.OS(=O)(=O)[O-]	OREMAKNOJRHDJT-SQUPYDECSA-N
DG62026	NSC58368	5458991	"dicyclohexylazanium;(2E,4E,6E,8E)-10-[[(5S,6R)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoate; NSC58368; FUMAGILLIN DICYCLOHEXYLAMINE SALT"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58368	.	.	.	.	639.9	C38H57NO7	117	990	.	46	1	7	12	"InChI=1S/C26H34O7.C12H23N/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28);11-13H,1-10H2/b7-5+,8-6+,11-9+,12-10+;/t19-,20-,23-,24 ,25 ,26 ;/m1./s1"	CC(=CC[C@@H]1C(O1)(C)C2[C@@H]([C@@H](CCC23CO3)OC(=O)/C=C/C=C/C=C/C=C/C(=O)[O-])OC)C.C1CCC(CC1)[NH2+]C2CCCCC2	OLRILZDTQKZQIG-ZQRJYVNNSA-N
DG62027	Combretastatin A-1	5458993	"Combretastatin A-1; Combretastatin A1; 109971-63-3; (Z)-3-METHOXY-6-(3,4,5-TRIMETHOXYSTYRYL)BENZENE-1,2-DIOL; UNII-2222ATS339; CHEMBL36255; 3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol; NSC600032; 2222ATS339; NSC-600032; combretastatins A-1; NSC 600032; OXi4500; SCHEMBL8736882; ZINC24632; BDBM50090044; HY-121993; CS-0083815; B8173373K297; A802119; (Z)-2'',3''-dihydroxy-3,4,4'',5-tetramethoxystilbene; (Z)-3-(3,4,5-trimethoxystyryl)-6-methoxybenzene-1,2-diol; 1,2-Benzenediol,3-methoxy-6-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-; 3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]benzene-1,2-diol; 3-Methoxy-6-[(Z)-2-(3,4,5-trimethoxy-phenyl)-vinyl]-benzene-1,2-diol; 3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)vinyl]benzene-1,2-diol; 3-Methoxy-6-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-benzene-1,2-diol; 1,2-Benzenediol, 3-methoxy-6-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600032	.	.	.	.	332.3	C18H20O6	77.4	387	3.4	24	2	6	6	"InChI=1S/C18H20O6/c1-21-13-8-7-12(16(19)17(13)20)6-5-11-9-14(22-2)18(24-4)15(10-11)23-3/h5-10,19-20H,1-4H3/b6-5-"	COC1=C(C(=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC)O)O	YUSYSJSHVJULID-WAYWQWQTSA-N
DG62028	Verbascoside	5459010	"Verbascoside; Kusaginin; NSC603831; 61276-17-3; SCHEMBL657971; SCHEMBL13978365; NSC-603831; Extract from Verbena minutiflora (B864379); .beta.-D-Glucopyranoside,4-dihydroxyphenyl)ethyl-3-O-(6-deoxy-.alpha.-L- mannopyranosyl)-, 4-[3-(3,4-dihydroxyphenyl)-2- propenoate], (E)-; 6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603831	.	.	.	.	624.6	C29H36O15	245	936	-0.5	44	9	15	11	"InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+"	CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O	FBSKJMQYURKNSU-QPJJXVBHSA-N
DG62029	NSC604976	5459015	"(1R,3R,6R,8R,25R,26S,27R)-6,15-dihydroxy-18-(1-hydroxyethyl)-5,14,26-trimethylspiro[2,10,13,17,24-pentaoxapentacyclo[23.2.1.03,8.08,26.012,14]octacos-4-ene-27,2'-oxirane]-11,23-dione; Baccharinoid B4; NSC604976"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	604976	.	.	.	.	566.6	C29H42O11	157	1080	-0.2	40	3	11	1	"InChI=1S/C29H42O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h9,16-22,24,30-32H,5-8,10-14H2,1-4H3/t16 ,17-,18 ,19 ,20-,21-,22-,24 ,26 ,27-,28-,29-/m1/s1"	CC1=C[C@@H]2[C@@]3(C[C@H]1O)COC(=O)C4C(O4)(C(COC(CCCCC(=O)O[C@H]5[C@]3([C@@]6(CO6)[C@@H](C5)O2)C)C(C)O)O)C	GUBFKNDROVCUHE-AAMFYLNDSA-N
DG62030	"Curromycin A,B mixture"	5459029	"NSC606307; Curromycin A,B mixture"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606307	.	.	.	.	1425.7	C77H112N6O19	370	2750	.	102	10	23	36	"InChI=1S/C39H57N3O10.C38H55N3O9/c1-24(17-13-10-11-14-18-28-22-42-27(4)51-28)34(45)37(5,6)35(46)41-20-16-12-15-19-29(43)25(2)21-30(50-9)39(48)26(3)32(44)33(40-7)38(39)31(23-49-8)52-36(38)47;1-23(17-13-10-11-14-18-28-22-41-27(5)50-28)33(44)36(6,7)34(45)40-20-16-12-15-19-29(42)24(2)21-30(48-9)38(47)25(3)31(43)32(39-8)37(38)26(4)49-35(37)46/h10-17,19,22,25-26,29-31,33-34,40,43,45,48H,18,20-21,23H2,1-9H3,(H,41,46);10-17,19,22,24-26,29-30,32-33,39,42,44,47H,18,20-21H2,1-9H3,(H,40,45)/b13-10+,14-11+,16-12+,19-15+,24-17+;13-10+,14-11+,16-12+,19-15+,23-17+"	CC1C(=O)C(C2(C1(C(CC(C)C(/C=C/C=C/CNC(=O)C(C)(C)C(/C(=C/C=C/C=C/CC3=CN=C(O3)C)/C)O)O)OC)O)C(OC2=O)C)NC.CC1C(=O)C(C2(C1(C(CC(C)C(/C=C/C=C/CNC(=O)C(C)(C)C(/C(=C/C=C/C=C/CC3=CN=C(O3)C)/C)O)O)OC)O)C(OC2=O)COC)NC	BVVIQKQEIHWNNI-VPOBXSEKSA-N
DG62031	NSC608984	5459065	"(2S,4S)-N-[(2S)-1-[[(3R)-1-[[1-[[1-[[(2S)-1-[[1-[[1-[[3-[[(2S)-1-(dimethylamino)propan-2-yl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methyl-1-[(E,4R)-4-methylhex-2-enoyl]pyrrolidine-2-carboxamide; 108426-90-0; AC1NUR3I; DTXSID90420036; NSC608984"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	608984	.	.	.	.	1118.5	C57H103N11O11	306	2120	5	79	10	12	32	"InChI=1S/C57H103N11O11/c1-21-36(10)22-23-44(70)68-30-37(11)29-42(68)50(75)61-39(26-32(2)3)48(73)63-45(46(71)35(8)9)51(76)65-56(15,16)53(78)62-40(27-33(4)5)47(72)60-41(28-34(6)7)49(74)64-57(17,18)54(79)66-55(13,14)52(77)58-25-24-43(69)59-38(12)31-67(19)20/h22-23,32-42,45-46,71H,21,24-31H2,1-20H3,(H,58,77)(H,59,69)(H,60,72)(H,61,75)(H,62,78)(H,63,73)(H,64,74)(H,65,76)(H,66,79)/b23-22+/t36-,37+,38+,39+,40 ,41+,42+,45 ,46-/m1/s1"	CC[C@@H](C)/C=C/C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NC([C@@H](C(C)C)O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)CN(C)C)C	DKUCXVPLIVXVFM-HNUJDZJCSA-N
DG62032	Camptothecin phosphate	5459073	"Camptothecin phosphate; NSC610458; CHEMBL1966109; SCHEMBL10720542; NSC-610458; [ethyl(dioxo)[ ]yl] dihydrogen phosphate; NCI60_004792; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-(phosphonooxy)-, (S)-; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline- 3,14(4H,12H)-dione, 4-ethyl-4-(phosphonooxy)-, (S)-; Phosphoric acid (4S)-3,14-dioxo-4,12-dihydro-4-ethyl-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-4beta-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	610458	.	.	.	.	428.3	C20H17N2O7P	126	909	-0.1	30	2	8	3	"InChI=1S/C20H17N2O7P/c1-2-20(29-30(25,26)27)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-28-19(20)24/h3-8H,2,9-10H2,1H3,(H2,25,26,27)/t20-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OP(=O)(O)O	PRAQDADSDVOMGA-FQEVSTJZSA-N
DG62033	NSC611747	5459084	"[(3S,7S)-2-[(7E,9E,11E,13E)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[4-[[4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-7-hydroxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] dihydrogen phosphate; NSC611747"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	611747	.	.	.	.	1009.2	C50H81N4O15P	287	1930	1.8	70	8	18	26	"InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20+,30-17+,32-24+/t31 ,33 ,34 ,35 ,37 ,38 ,39-,40 ,41 ,42 ,43 ,44 ,45 ,46+,50 /m0/s1"	CC1[C@H](CC2(C([C@@H](C(O2)C(CC(C(C)C(C(C)/C=C(\\C)/C(=C/C=C/C(=C/C#N)/C)/C)O)O)OC)OP(=O)(O)O)(C)C)OC1C/C=C/C3=COC(=N3)C(C)CCNC(=O)C(C(C(COC)N(C)C)O)O)O	FKAWLXNLHHIHLA-OHSMJMBWSA-N
DG62034	Urdamycin A pentaacetate	5459094	Urdamycin A pentaacetate; NSC613244	.	.	Investigative Drug(s)	Investigative	Small molecular drug	613244	.	.	.	.	1057.1	C53H68O22	299	2220	.	75	3	22	15	"InChI=1S/C51H64O21.C2H4O/c1-22-33(66-26(5)52)13-15-40(64-22)72-51-38(56)20-49(9,60)21-50(51,61)17-16-32-43(51)46(59)31-11-10-30(44(57)42(31)45(32)58)35-18-36(47(24(3)62-35)68-28(7)54)71-39-14-12-34(23(2)63-39)70-41-19-37(67-27(6)53)48(25(4)65-41)69-29(8)55;1-2-3/h10-11,16-17,22-25,33-37,39-41,47-48,57,60-61H,12-15,18-21H2,1-9H3;2H,1H3/t22 ,23 ,24 ,25 ,33 ,34 ,35 ,36 ,37 ,39 ,40 ,41 ,47 ,48 ,49-,50 ,51 ;/m1./s1"	CC=O.CC1C(CCC(O1)OC2CC(OC(C2OC(=O)C)C)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=CC6(C5(C(=O)C[C@@](C6)(C)O)OC7CCC(C(O7)C)OC(=O)C)O)O)OC8CC(C(C(O8)C)OC(=O)C)OC(=O)C	AAAHAJYGUJOUBH-PIXYOJEZSA-N
DG62035	Bullatacin	5459105	"Bullatacin; Squamocin G; NSC615484; SCHEMBL2701311; NSC-615484; Annona bullata (Annonaceae) plant extract; NCI60_004986; 2(5H)-Furanone,13-dihydroxy-13-[octahydro- 5'-(1-hydroxyundecyl)[2,2'-bifuran]-5-yl]tridecyl]- 5-methyl-, [2R-[2.alpha.[2'R*,5'R*(S*)],5.beta.[1(S*),2R*,13R*]]]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615484	.	.	.	.	622.9	C37H66O7	105	801	9.7	44	3	7	25	"InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28 ,30-,31+,32-,33-,34-,35-,36-/m0/s1"	CCCCCCCCCC[C@H]([C@@H]1CC[C@H](O1)[C@@H]2CC[C@H](O2)[C@H](CCCCCCCCCC[C@@H](CC3=CC(OC3=O)C)O)O)O	MBABCNBNDNGODA-TVIWBYDISA-N
DG62036	"2[5H]-Furanone,(S)-"	5459107	"NSC616960; 2[5H]-Furanone,(S)-; CHEMBL1964624; SCHEMBL13302503; NSC-616960; NCI60_005068"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	616960	.	.	.	.	276.24	C11H16O8	126	357	-2	19	4	8	4	"InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6 ,8 ,9 ,10 ,11 /m0/s1"	C1=CC(=O)O[C@@H]1COC2C(C(C(C(O2)CO)O)O)O	TYWXNGXVSZRXNA-ANYYLMFCSA-N
DG62037	"Phenol, cobalt(+3) complex, monoazide salt"	5459108	"NSC618077; NSC-618077; NCI60_005426; Phenol, cobalt(+3) complex, monoazide salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618077	.	.	.	.	494.5	C24H31CoN6O2	77.1	587	.	33	0	7	1	"InChI=1S/C24H33N3O2.Co.N3/c1-4-20-8-10-24(29)22(16-20)18-26-12-6-14-27(3)13-5-11-25-17-21-15-19(2)7-9-23(21)28;;1-3-2/h7-10,15-18,28-29H,4-6,11-14H2,1-3H3;;/q;+3;-1/p-2"	CCC1=CC(=C(C=C1)[O-])C=NCCCN(C)CCCN=CC2=C(C=CC(=C2)C)[O-].[N-]=[N+]=[N-].[Co+3]	OENGSCWUVRHEJV-UHFFFAOYSA-L
DG62038	NSC618487	5459111	"(3S,4S,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one; staurosporine; NSC618487; 62996-74-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618487	.	.	.	.	466.5	C28H26N4O3	69.4	901	3.2	35	2	4	2	"InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20+,26-,28 /m0/s1"	CC12[C@H]([C@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC	HKSZLNNOFSGOKW-HOWPHSCPSA-N
DG62039	NSC620595	5459112	"(5S)-5-[(11S)-11-hydroxy-11-[(2S,5R)-5-[(2R,5S)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one; Bullatacinone; NSC620595; CHEMBL1967501; NSC-620595; NCI60_006106"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620595	.	.	.	.	622.9	C37H66O7	102	788	9.4	44	2	7	25	"InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29 ,30-,31+,32-,33-,34-,35+,36+/m0/s1"	CCCCCCCCCC[C@H]([C@@H]1CC[C@@H](O1)[C@H]2CC[C@H](O2)[C@H](CCCCCCCCCC[C@H]3CC(C(=O)O3)CC(=O)C)O)O	KGGVWMAPBXIMEM-YPSBWLOUSA-N
DG62040	Claenone	5459116	"Claenone; NSC624589; 112790-42-8; DTXSID80420040; NSC-624589; Cyclopenta[4,2-b]oxiren-9(1aH)-one, 2,3,6,7,7a,8,10,10a,11,11a-decahydro-1a,5,10a-trimethyl- 8-(1-methylethylidene)-, [1aR-(1aR*,4E,7aS*,10aR*,11aR*)]-; Cyclopenta[4,2-b]oxiren-9(1aH)-one, 2,3,6,7,7a,8,10,10a,11,11a-decahydro-1a,5,10a-trimethyl-8-(1-methylethylidene)-, (1aR,4E,7aS,10aR,11aR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624589	.	.	.	.	302.5	C20H30O2	29.6	552	4.2	22	0	2	0	"InChI=1S/C20H30O2/c1-13(2)18-15-9-8-14(3)7-6-10-20(5)17(22-20)12-19(15,4)11-16(18)21/h7,15,17H,6,8-12H2,1-5H3/b14-7-/t15 ,17-,19+,20 /m1/s1"	C/C/1=C/CCC2([C@H](O2)C[C@@]3(CC(=O)C(=C(C)C)C3CC1)C)C	WIQJIYQQVYRKPQ-KAGDPKRISA-N
DG62041	4-amino-N-argentio-N-(pyrimidin-2-yl)benzene-1-sulfonamide	5459124	"silver sulfadiazine; 22199-08-2; NSC625324; 4-amino-N-argentio-N-(pyrimidin-2-yl)benzene-1-sulfonamide; RP-2616; Silver,O1)-; Sulfadiazine silverSilvadene; Benzenesulfonamide, silver complex; BCP11831; HY-B1497; Sulfanilamide, monosilver(1+) salt; CS-0013217; Silver, [4-amino-N-(2-pyrimidinyl-kN1)benzenesulfonamidato-kO]-; Silver, [4-amino-N-(2-pyrimidinyl-.kappa.N1) benzenesulfonamidato-.kappa.O]-; Silver, [4-amino-N-(2-pyrimidinyl-.kappa.N1)benzenesulfonamidato-.kappa.O]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625324	.	.	.	.	357.14	C10H9AgN4O2S	95.3	354	.	18	1	6	1	"InChI=1S/C10H9N4O2S.Ag/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2;/q-1;+1"	C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Ag+]	UEJSSZHHYBHCEL-UHFFFAOYSA-N
DG62042	Trunculin A	5459125	"Trunculin A; 105969-64-0; NSC625516; (2R)-2-[(3R,6R)-6-methyl-6-[2-(1,1,3,6-tetramethyl-4a,7,8,8a-tetrahydro-4H-naphthalen-2-yl)ethyl]dioxan-3-yl]propanoic acid; (3R,alphaR,6R)-6-[2-[[(4aR,8aS)-1,4,4abeta,7,8,8abeta-Hexahydro-1,1,3,6-tetramethylnaphthalen]-2-yl]ethyl]-alpha,6; CHEMBL1974802; DTXSID00420042; NSC-625516; 1, 6-[2-(1,4,4a,7,8,8a-hexahydro- 1,1,3,6-tetramethyl-2-naphthalenyl)ethyl]-.alpha.,6- dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625516	.	.	.	.	390.6	C24H38O4	55.8	674	4.8	28	1	4	5	"InChI=1S/C24H38O4/c1-15-7-8-20-18(13-15)14-16(2)19(23(20,4)5)9-11-24(6)12-10-21(27-28-24)17(3)22(25)26/h13,17-18,20-21H,7-12,14H2,1-6H3,(H,25,26)/t17-,18 ,20 ,21-,24-/m1/s1"	CC1=CC2CC(=C(C(C2CC1)(C)C)CC[C@@]3(CC[C@@H](OO3)[C@@H](C)C(=O)O)C)C	BGJFOTULBGQTPJ-RFYXGITPSA-N
DG62043	Phenazinomycin	5459126	Phenazinomycin; NSC625545; CHEMBL1967483; ZINC3794641; NSC-625545	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625545	.	.	.	.	400.6	C27H32N2O	32.7	826	6.7	30	0	3	5	"InChI=1S/C27H32N2O/c1-19(14-15-21-20(2)9-8-17-27(21,3)4)16-18-29-23-11-6-5-10-22(23)28-26-24(29)12-7-13-25(26)30/h5-7,10-13,16,21H,2,8-9,14-15,17-18H2,1,3-4H3/b19-16+/t21-/m1/s1"	C/C(=C\\CN1C2=CC=CC=C2N=C3C1=CC=CC3=O)/CC[C@@H]4C(=C)CCCC4(C)C	APNRZHLOPQFNMR-WEIUTZTHSA-N
DG62044	Austrocortilutein	5459129	Austrocortilutein; NSC626306; NSC-626306; NCI60_008302; Q15410255	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626306	.	.	.	.	304.29	C16H16O6	104	553	0.7	22	3	6	1	"InChI=1S/C16H16O6/c1-16(21)5-9-13(11(18)6-16)15(20)12-8(14(9)19)3-7(22-2)4-10(12)17/h3-4,11,17-18,21H,5-6H2,1-2H3/t11 ,16-/m0/s1"	C[C@]1(CC(C2=C(C1)C(=O)C3=C(C2=O)C(=CC(=C3)OC)O)O)O	LRHFZXBVDMVFCW-NBFOKTCDSA-N
DG62045	Austrocortirubin	5459130	"Austrocortirubin; NSC626307; 112926-20-2; (7S)-5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione; DTXSID20420044; NSC-626307; NCI60_008303"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626307	.	.	.	.	320.29	C16H16O7	124	571	1.1	23	4	7	1	"InChI=1S/C16H16O7/c1-16(22)4-6-10(8(18)5-16)15(21)11-7(17)3-9(23-2)14(20)12(11)13(6)19/h3,8,18-19,21-22H,4-5H2,1-2H3/t8 ,16-/m0/s1"	C[C@]1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C=C(C3=O)OC)O)O)O	WWTHHBSODPGTAK-VEDISBKWSA-N
DG62046	(-)-Roemeridine	5459132	(-)-Roemeridine; NSC626577; 122890-33-9; CHEMBL1994960; DTXSID40420046; NSC-626577; NCI60_008409	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626577	.	.	.	.	533.7	C31H39N3O5	88.2	910	3.5	39	3	7	4	"InChI=1S/C31H39N3O5/c1-34-11-7-17-12-24(38-4)28(35)27-26(17)21(34)15-30(27)8-9-31(25(16-30)39-5)29-18(6-10-32-31)19-13-22(36-2)23(37-3)14-20(19)33-29/h12-14,21,25,32-33,35H,6-11,15-16H2,1-5H3/t21 ,25-,30+,31+/m1/s1"	CN1CCC2=CC(=C(C3=C2C1C[C@]34CC[C@]5([C@@H](C4)OC)C6=C(CCN5)C7=CC(=C(C=C7N6)OC)OC)O)OC	ZEQJFLRBPFWVDX-LGFSPVNFSA-N
DG62047	"Butanedioic acid, 2-(1,3-benzodioxol-5-ylmethylene)-3-methyl-, (2E)-"	5459133	"NSC626629; (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-3-methyl-butanedioic acid; Butanedioic acid, 2-(1,3-benzodioxol-5-ylmethylene)-3-methyl-, (2E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626629	.	.	.	.	264.23	C13H12O6	93.1	402	1.7	19	2	6	4	"InChI=1S/C13H12O6/c1-7(12(14)15)9(13(16)17)4-8-2-3-10-11(5-8)19-6-18-10/h2-5,7H,6H2,1H3,(H,14,15)(H,16,17)/b9-4-"	CC(/C(=C/C1=CC2=C(C=C1)OCO2)/C(=O)O)C(=O)O	WIISKXZMFXNYTA-WTKPLQERSA-N
DG62048	"[(4S,5S,13S)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methanol"	5459140	NSC626773; NSC-626773; NCI60_008466	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626773	.	.	.	.	288.5	C20H32O	20.2	482	6.1	21	1	1	1	"InChI=1S/C20H32O/c1-17-9-5-16-19(3)8-4-7-18(2,14-21)15(19)6-10-20(16,13-17)12-11-17/h11-12,15-16,21H,4-10,13-14H2,1-3H3/t15-,16 ,17-,18-,19 ,20 /m1/s1"	C[C@]12CCC3C4(CCC[C@]([C@H]4CCC3(C1)C=C2)(C)CO)C	CIGQQQTZOIDQQR-MQUSSMTRSA-N
DG62049	Cuspidatin C	5459164	"Cuspidatin C; 18457-46-0; Taxinine J; NSC636859; (7,9,10,13-tetraacetyloxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl) (E)-3-phenylprop-2-enoate; DTXSID70420054; NSC-636859"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636859	.	.	.	.	650.8	C37H46O10	132	1330	4.9	47	0	10	12	"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/b16-15+"	CC1=C2C(C(C3(C(CC(C2(C)C)CC1OC(=O)C)C(=C)C(CC3OC(=O)C)OC(=O)/C=C/C4=CC=CC=C4)C)OC(=O)C)OC(=O)C	MIJTXBNFQDJTPL-FOCLMDBBSA-N
DG62050	"2-(2-Fluorobenzylidene)-1-phenyl-1,3-butanedione"	5459165	"NSC636961; 2-(2-Fluorobenzylidene)-1-phenyl-1,3-butanedione; NSC-636961; CHEMBL1565333; CCG-36786; NCGC00014950; NCI636961; ZINC13099560; NCGC00014950-02; NCGC00098050-01; (2E)-2-[(2-fluorophenyl)methylene]-1-phenyl-butane-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636961	.	.	.	.	268.28	C17H13FO2	34.1	394	3.7	20	0	3	4	"InChI=1S/C17H13FO2/c1-12(19)15(11-14-9-5-6-10-16(14)18)17(20)13-7-3-2-4-8-13/h2-11H,1H3/b15-11+"	CC(=O)/C(=C\\C1=CC=CC=C1F)/C(=O)C2=CC=CC=C2	IBJJYSODAGTBGJ-RVDMUPIBSA-N
DG62051	Rubescensin A (Oridonin) [Rabdosia diterpenoid]	5459168	NSC637458; Rubescensin A; 28957-04-2; NSC-637458; NCI60_012412; Rubescensin A (Oridonin) [Rabdosia diterpenoid]	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637458	.	.	.	.	364.4	C20H28O6	107	717	0.1	26	4	6	0	"InChI=1S/C20H28O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h10-13,15-16,21,23-25H,1,4-8H2,2-3H3/t10 ,11 ,12 ,13 ,15 ,16-,18 ,19 ,20+/m0/s1"	CC1(CCC(C23C1[C@@H]([C@](C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)O)C	SDHTXBWLVGWJFT-AKQQBLALSA-N
DG62052	Eupalmerin acetate	5459169	Eupalmerin acetate; NSC637469; Acetyleupalmerin; CHEMBL1986885; NSC-637469	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637469	.	.	.	.	376.5	C22H32O5	65.099	651	4	27	0	5	2	"InChI=1S/C22H32O5/c1-13-8-6-10-14(2)19(25-16(4)23)20-17(15(3)21(24)26-20)12-18-22(5,27-18)11-7-9-13/h9,14,17-20H,3,6-8,10-12H2,1-2,4-5H3/b13-9+/t14-,17-,18+,19+,20+,22+/m0/s1"	C[C@H]1CCC/C(=C/CC[C@@]2([C@H](O2)C[C@@H]3[C@H]([C@@H]1OC(=O)C)OC(=O)C3=C)C)/C	KSMMWIWWLQEPOL-OFHJXLIGSA-N
DG62053	Ternatin	5459184	"Ternatin; 571-71-1; 4',5-Dihydroxy-3,3',7,8-tetramethoxyflavone; Ternatin (flavonoid); NSC640328; UNII-G60G0VQS3I; G60G0VQS3I; 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7,8-trimethoxychromen-4-one; NSC678107; NSC-640328; Gossypetin 3,7,8,3'-tetramethyl ether; 5,4'-Dihydroxy-3,7,8,3'-tetramethoxyflavone; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7,8-trimethoxy-; NSC 640328; NSC 678107; CHEMBL73991; SCHEMBL1304220; 5,7,8,3'-tetramethoxyflavone; DTXSID40205714; BCP23258; ZINC5732757; 8394AB; LMPK12113247; AKOS015900628; NSC-678107; NCI60_013438; NCI60_027978; FT-0756765; 4',5-dihydroxy-3,3',7,8-tetramethoxy-flavone; 4H-1-Benzopyran-4-one,7,8-trimethoxy-2-(3-hydroxy-4-methoxyphenyl)-; 5-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,7,8-trimethoxy-chromen-4-one; N-Boc-3-mesyloxypiperidine pound>>4',5-Dihydroxy-3,3',7,8-tetramethoxyflavone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640328	.	.	.	.	374.3	C19H18O8	104	576	3.1	27	2	8	5	"InChI=1S/C19H18O8/c1-23-12-7-9(5-6-10(12)20)16-19(26-4)15(22)14-11(21)8-13(24-2)17(25-3)18(14)27-16/h5-8,20-21H,1-4H3"	COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)OC)O	DGUWNYKZOJRCQQ-UHFFFAOYSA-N
DG62054	Euphorbia substance SPr5	5459191	NSC640929; 164416-30-2; Euphorbia substance SPr5; DTXSID10420058; NSC-640929; NCI60_013676	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640929	.	.	.	.	726.8	C38H46O14	184	1530	3.2	52	0	14	14	"InChI=1S/C38H46O14/c1-9-25(43)49-28-18(2)15-38(52-22(6)42)27(28)32(47-19(3)39)37-17-46-36(8,34(38)48-20(4)40)30(37)26-24(16-35(26,7)51-21(5)41)29(31(37)44)50-33(45)23-13-11-10-12-14-23/h10-14,18,24,26-30,32,34H,9,15-17H2,1-8H3/t18-,24 ,26 ,27 ,28-,29+,30-,32 ,34-,35-,36 ,37 ,38+/m0/s1"	CCC(=O)O[C@H]1[C@H](C[C@]2(C1C(C34COC([C@@H]3C5C(C[C@]5(C)OC(=O)C)[C@H](C4=O)OC(=O)C6=CC=CC=C6)([C@@H]2OC(=O)C)C)OC(=O)C)OC(=O)C)C	HVQVEQMVCYOICQ-YDTMFVMDSA-N
DG62055	"5'-Allyl-2'-hydroxy-3,3',4-trimethoxy chalcone"	5459194	"NSC641522; 5'-Allyl-2'-hydroxy-3,3',4-trimethoxy chalcone; CHEMBL1971321; NSC-641522; 5'-Allyl-2'-hydroxy-3,4-trimethoxy chalcone; 5'-Allyl-2'-hydroxy-3,3',4-trimethoxychalcone; (E)-1-(5-allyl-2-hydroxy-3-methoxy-phenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one; 1-(5-Allyl-2-hydroxy-3-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641522	.	.	.	.	354.4	C21H22O5	65	489	4.9	26	1	5	8	"InChI=1S/C21H22O5/c1-5-6-15-11-16(21(23)20(13-15)26-4)17(22)9-7-14-8-10-18(24-2)19(12-14)25-3/h5,7-13,23H,1,6H2,2-4H3/b9-7+"	COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C(=CC(=C2)CC=C)OC)O)OC	ULTGOGCFAAQLHT-VQHVLOKHSA-N
DG62056	Betuletol	5459196	"Betuletol; NSC641548; 6,4'-Dimethoxy-3,5,7-trihydroxyflavone; 35214-88-1; Beturetol; Oprea1_748279; CHEMBL311155; DTXSID70420059; LMPK12112871; NSC-641548; NCI60_014067"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641548	.	.	.	.	330.29	C17H14O7	105	509	2.2	24	3	7	3	"InChI=1S/C17H14O7/c1-22-9-5-3-8(4-6-9)16-15(21)13(19)12-11(24-16)7-10(18)17(23-2)14(12)20/h3-7,18,20-21H,1-2H3"	COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)O	MSLBFGWANLXSOK-UHFFFAOYSA-N
DG62057	2-Amino-3-(5-oxobenzo[a]phenoxazin-10-yl)propanoic acid;nitric acid	5459200	"NSC643735; 154804-06-5; 2-Amino-3-(5-oxobenzo[a]phenoxazin-10-yl)propanoic acid;nitric acid; NSC-643735; CHEMBL1973237; DTXSID00420062; 1, 8-(D,L-alanyl)-, nitrate salt; 1,L-alanyl)-3-phenoxazone nitrate salt; 1,2-Benzo-8-(D,L-alanyl)-3-phenoxazone; 5H-Benzo[a]phenoxazine,L-alanyl)-5-oxo-, mononitrate salt; 5H-Benzo[a]phenoxazine-10-propanoic acid, (+-)-, mononitrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643735	.	.	.	.	397.3	C19H15N3O7	168	666	.	29	3	9	3	"InChI=1S/C19H14N2O4.HNO3/c20-13(19(23)24)7-10-5-6-16-14(8-10)21-18-12-4-2-1-3-11(12)15(22)9-17(18)25-16;2-1(3)4/h1-6,8-9,13H,7,20H2,(H,23,24);(H,2,3,4)"	C1=CC=C2C(=C1)C(=O)C=C3C2=NC4=C(O3)C=CC(=C4)CC(C(=O)O)N.[N+](=O)(O)[O-]	BNIGYSSWARYXFF-UHFFFAOYSA-N
DG62058	Leinomycin	5459203	Leinomycin; NSC645777	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645777	.	.	.	.	510.7	C22H26N2O6S3	206	935	0.7	33	3	10	0	"InChI=1S/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4-,7-5-,13-10 /t14-,17-,21+,22+,33 /m1/s1"	C[C@@H]1C2=NC(=CS2)/C=C\\C=C/C(=O)[C@@H](C=C(CC[C@]3(CC(=O)N1)[C@@](C(=O)SS3=O)(C)O)C)O	ZHTRILQJTPJGNK-ACBPCTMCSA-N
DG62059	"(1R,2S,6S,10S,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol"	5459204	NSC646012; NSC-646012; NCI60_015825	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646012	.	.	.	.	306.5	C20H34O2	40.5	476	4.3	22	2	2	1	"InChI=1S/C20H34O2/c1-17(13-21)7-4-8-18(2)16(17)6-5-14-11-15-12-20(14,18)10-9-19(15,3)22/h14-16,21-22H,4-13H2,1-3H3/t14-,15 ,16 ,17+,18-,19-,20+/m0/s1"	C[C@@]1(CCC[C@]2(C1CC[C@@H]3[C@]24CC[C@](C(C3)C4)(C)O)C)CO	YFPSFADPQXOJFU-BWRCBALTSA-N
DG62060	"2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3R,4S)-3-hydroxy-1-methylpiperidin-1-ium-4-yl]chromen-4-one;chloride"	5459218	NSC649890	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649890	.	.	.	.	438.3	C21H21Cl2NO5	91.4	628	.	29	4	6	2	"InChI=1S/C21H20ClNO5.ClH/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22;/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3;1H/t12-,17+;/m1./s1"	C[NH+]1CC[C@H]([C@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O.[Cl-]	LGMSNQNWOCSPIK-KELGLJHESA-N
DG62061	Spicamycin analog	5459220	"Spicamycin analog; NSC650426; KRN5500; 151276-95-8; (2E,4E)-N-[2-[[2-(1,2-dihydroxyethyl)-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]tetradeca-2,4-dienamide; (2E,4E)-N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]tetradeca-2,4-dienamide; NSC-650426; SCHEMBL1650068; CHEMBL1988585; 4-Deoxy-N-(7H-purin-6-yl)-4-(((2,4-tetradecadienoylamino)acetyl)amino)heptopyranosylamine; (2E,4E)-N-[2-[[(2R,3R,4R,5R,6S)-2-(1,2-Dihydroxyethyl)-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]tetradeca-2,4-dienamide; (2E,4E)-N-[2-[[2-(1,2-dihydroxyethyl)-4,5-dihydroxy-6-(7H-purin-6-ylamino)tetrahydropyran-3-yl]amino]-2-oxo-ethyl]tetradeca-2,4-dienamide; 6-[4-Deoxy-4-(tetradeca-2(E), 4(E)-dienoylglycyl)amino-L-glycero-.beta.-L-manno-hepto-pyranosyl]amino-9H-purine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650426	.	.	.	.	589.7	C28H43N7O7	215	880	2.7	42	8	11	17	"InChI=1S/C28H43N7O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(38)29-14-20(39)34-21-23(40)24(41)28(42-25(21)18(37)15-36)35-27-22-26(31-16-30-22)32-17-33-27/h10-13,16-18,21,23-25,28,36-37,40-41H,2-9,14-15H2,1H3,(H,29,38)(H,34,39)(H2,30,31,32,33,35)/b11-10+,13-12+"	CCCCCCCCC/C=C/C=C/C(=O)NCC(=O)NC1C(C(C(OC1C(CO)O)NC2=NC=NC3=C2NC=N3)O)O	LQIPDFIUPOYMPR-AQASXUMVSA-N
DG62062	Dysorone E	5459221	Dysorone E; NSC651415; 138950-37-5; DTXSID80420065; NSC-651415; NCI60_017965	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651415	.	.	.	.	466.7	C30H42O4	63.6	1000	5.4	34	1	4	3	"InChI=1S/C30H42O4/c1-18(2)13-20-14-19(16-34-20)21-7-8-22-27(21,3)11-9-23-28(4)12-10-25(32)29(5,17-31)24(28)15-26(33)30(22,23)6/h8,10,12-13,19-21,23-24,31H,7,9,11,14-17H2,1-6H3/t19-,20 ,21 ,23 ,24 ,27 ,28+,29+,30-/m0/s1"	CC(=CC1C[C@@H](CO1)C2CC=C3C2(CCC4[C@]3(C(=O)CC5[C@@]4(C=CC(=O)[C@]5(C)CO)C)C)C)C	LBCVUGXXRUZTFT-UAWYEJSOSA-N
DG62063	4'-O-Prenylalpinumisoflavone	5459223	Deoxyisoauriculatin; NSC652733; 4'-O-Prenylalpinumisoflavone; 2'-Deoxyisoauriculatin; CHEMBL1970103; LMPK12050206; NSC-652733; NCI60_018445	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652733	.	.	.	.	404.5	C25H24O5	65	737	5.8	30	1	5	4	"InChI=1S/C25H24O5/c1-15(2)10-12-28-17-7-5-16(6-8-17)19-14-29-21-13-20-18(9-11-25(3,4)30-20)23(26)22(21)24(19)27/h5-11,13-14,26H,12H2,1-4H3"	CC(=CCOC1=CC=C(C=C1)C2=COC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O)C	OHVOXMFXCZKNPR-UHFFFAOYSA-N
DG62064	NSC654894	5459229	"[(8R,13S,17S)-3-benzoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-oxo-6-oxabicyclo[3.1.0]hexane-1-carboxylate; NSC654894; CHEMBL1999465; NSC-654894; NCI60_018978"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654894	.	.	.	.	500.6	C31H32O6	82.2	955	5.9	37	0	6	6	"InChI=1S/C31H32O6/c1-30-16-15-22-21-10-8-20(35-28(33)18-5-3-2-4-6-18)17-19(21)7-9-23(22)24(30)11-13-26(30)36-29(34)31-25(32)12-14-27(31)37-31/h2-6,8,10,17,22-24,26-27H,7,9,11-16H2,1H3/t22 ,23-,24 ,26+,27 ,30+,31 /m1/s1"	C[C@]12CCC3[C@H](C1CC[C@@H]2OC(=O)C45C(O4)CCC5=O)CCC6=C3C=CC(=C6)OC(=O)C7=CC=CC=C7	OXMWAECOOQPVRR-MBBASYQQSA-N
DG62065	NSC655978	5459235	"[(3R,13S)-13-acetyloxy-3,8-dimethyl-12-methylidene-4,11-dioxo-10-oxatricyclo[7.3.1.03,7]tridec-5-en-2-yl] (E)-2-methylbut-2-enoate; NSC655978; NSC-655978"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655978	.	.	.	.	402.4	C22H26O7	96	851	2.8	29	0	7	5	"InChI=1S/C22H26O7/c1-7-10(2)20(25)29-19-16-12(4)21(26)28-17(18(16)27-13(5)23)11(3)14-8-9-15(24)22(14,19)6/h7-9,11,14,16-19H,4H2,1-3,5-6H3/b10-7+/t11 ,14 ,16 ,17 ,18-,19 ,22-/m0/s1"	C/C=C(\\C)/C(=O)OC1C2[C@@H](C(C(C3[C@]1(C(=O)C=C3)C)C)OC(=O)C2=C)OC(=O)C	PXHXEAQQWSRAOZ-CHYMYXIBSA-N
DG62066	"13-(N,N-Dimethylglycyl)brefeldin A"	5459236	"Breflate; NSC656202; UNII-1Y1QP4AO5M; 1Y1QP4AO5M; MLS002702929; 13-(N,N-Dimethylglycyl)brefeldin A; NSC-656202; Brefeldin derivative; SCHEMBL6115141; CHEMBL1974558; 4H-Cyclopent[f]oxacyclotridecin-4-one,6,7,8,9,11a,12,13,14,14a-decahydro- 13-N,N-dimethylglycyl-1-hydroxy-6-methyl-,(1R,2E,6S,10E,11aS,13S,14aR)-; Glycine,N-dimethyl-, (1R,2E,6S,10E,11aS,13S,14aR)- 4,6,7,8,9,11a,12,13,14,14a-decahydro-1-hydroxy-6-methyl-4-oxo-1H-cyclopent[f]oxacyclotridecin-13-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656202	.	.	.	.	365.5	C20H31NO5	76.1	542	2.7	26	1	6	4	"InChI=1S/C20H31NO5/c1-14-7-5-4-6-8-15-11-16(26-20(24)13-21(2)3)12-17(15)18(22)9-10-19(23)25-14/h6,8-10,14-18,22H,4-5,7,11-13H2,1-3H3/b8-6+,10-9+/t14-,15+,16-,17+,18+/m0/s1"	C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O1)O)OC(=O)CN(C)C	ZZWKZQDOSJAGGF-VRSYWUPDSA-N
DG62067	"(3E,11Z)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadeca-3,11-diene-2,5,10,13-tetrone"	5459239	NSC657321; 37244-00-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657321	.	.	.	.	392.4	C20H24O8	121	641	-0.2	28	0	8	4	"InChI=1S/C20H24O8/c1-13(21)11-17-7-3-15(23)6-10-20(26)28-18(12-14(2)22)8-4-16(24)5-9-19(25)27-17/h5-6,9-10,17-18H,3-4,7-8,11-12H2,1-2H3/b9-5-,10-6+"	CC(=O)CC1CCC(=O)/C=C\\C(=O)OC(CCC(=O)/C=C/C(=O)O1)CC(=O)C	CFDVIOQSLRJWSU-VTBWALSUSA-N
DG62068	"7-((4,9-Dioxo-2,7-decadienoyl)oxy)-4,9-dioxo-2-decenoic acid"	5459240	"NSC657323; CHEMBL2004446; NSC-657323; 7-((4,9-Dioxo-2,7-decadienoyl)oxy)-4,9-dioxo-2-decenoic acid; (E)-7-[(2E,7E)-4,9-dioxodeca-2,7-dienoyl]oxy-4,9-dioxo-dec-2-enoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657323	.	.	.	.	392.4	C20H24O8	132	697	-0.1	28	1	8	15	"InChI=1S/C20H24O8/c1-14(21)5-3-4-6-16(23)9-12-20(27)28-18(13-15(2)22)10-7-17(24)8-11-19(25)26/h3,5,8-9,11-12,18H,4,6-7,10,13H2,1-2H3,(H,25,26)/b5-3+,11-8+,12-9+"	CC(=O)CC(CCC(=O)/C=C/C(=O)O)OC(=O)/C=C/C(=O)CC/C=C/C(=O)C	BXDWMBHVQJFBPQ-ZEGDIPTBSA-N
DG62069	Narceine imide	5459241	"Narceine imide; (Z)-Narceine imide; 38952-67-9; NSC657324; (3Z)-3-[[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxyisoindol-1-one; CHEMBL1979699; CHEBI:186442; NSC-657324; (3Z)-3-({6-[2-(dimethylamino)ethyl]-4-methoxy-2H-1,3-benzodioxol-5-yl}methylidene)-6,7-dimethoxy-2,3-dihydro-1H-isoindol-1-one; (3Z)-3-[[6-(2-dimethylaminoethyl)-4-methoxy-1,3-benzodioxol-5-yl]methylene]-6,7-dimethoxy-isoindolin-1-one; 1H-Isoindol-1-one, 3-((6-(2-(dimethylamino)ethyl)-4-methoxy-1,3-benzodioxol-5-yl)methylene)-2,3-dihydro-6,7-dimethoxy-; 3-((6-(2-(Dimethylamino)ethyl)-4-methoxy-1,3-benzodioxol-5-yl)methylene)-6,7-dimethoxy-1-isoindolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657324	.	.	.	.	426.5	C23H26N2O6	78.5	671	2.9	31	1	7	7	"InChI=1S/C23H26N2O6/c1-25(2)9-8-13-10-18-22(31-12-30-18)20(28-4)15(13)11-16-14-6-7-17(27-3)21(29-5)19(14)23(26)24-16/h6-7,10-11H,8-9,12H2,1-5H3,(H,24,26)/b16-11-"	CN(C)CCC1=CC2=C(C(=C1/C=C\\3/C4=C(C(=C(C=C4)OC)OC)C(=O)N3)OC)OCO2	FNVOXTXQQPJYRS-WJDWOHSUSA-N
DG62070	NSC663567	5459256	"dimethyl 4-[(13S,16R)-16-tert-butyl-17-ethyl-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10,11-dicarboxylate; NSC663567"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663567	.	.	.	.	851.1	C50H66N4O8	134	1770	6.8	62	2	11	11	"InChI=1S/C50H66N4O8/c1-11-29-27-53-22-18-32-31-16-13-14-17-35(31)51-40(32)49(44(56)61-9,26-30(28-53)38(29)46(3,4)5)34-24-33-36(25-37(34)59-7)52(6)43-48(33)20-23-54-21-15-19-47(12-2,42(48)54)39(41(55)60-8)50(43,58)45(57)62-10/h13-17,19,24-25,29-30,38-39,42-43,51,58H,11-12,18,20-23,26-28H2,1-10H3/t29 ,30 ,38-,39 ,42 ,43 ,47 ,48 ,49+,50 /m1/s1"	CCC1CN2CCC3=C([C@](CC(C2)[C@@H]1C(C)(C)C)(C4=C(C=C5C(=C4)C67CCN8C6C(C=CC8)(C(C(C7N5C)(C(=O)OC)O)C(=O)OC)CC)OC)C(=O)OC)NC9=CC=CC=C39	PYJYEFMMMNTEMJ-JYZSIAMMSA-N
DG62071	NSC664161	5459259	"(1S,4aS,6bR,10S,12aR)-10-hydroxy-6a-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; NSC664161; NSC-664161"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664161	.	.	.	.	648.9	C40H56O7	113	1290	8.2	47	3	7	7	"InChI=1S/C40H56O7/c1-24-14-19-39(35(44)45)20-21-40(23-47-33(43)13-9-26-8-11-28(41)29(22-26)46-7)27(34(39)25(24)2)10-12-31-37(5)17-16-32(42)36(3,4)30(37)15-18-38(31,40)6/h8-11,13,22,24-25,30-32,34,41-42H,12,14-21,23H2,1-7H3,(H,44,45)/b13-9+/t24 ,25-,30 ,31 ,32-,34 ,37-,38+,39-,40 /m0/s1"	C[C@H]1C(CC[C@]2(C1C3=CCC4[C@]5(CC[C@@H](C(C5CC[C@]4(C3(CC2)COC(=O)/C=C/C6=CC(=C(C=C6)O)OC)C)(C)C)O)C)C(=O)O)C	BRRFDRKIGYRDOD-PSKUXPDZSA-N
DG62072	stereoisomer of 672120 (MW=262)	5459262	NSC-687011; NSC672120; CHEMBL519106; NSC687011; stereoisomer of 672120 (MW=262)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672120	.	.	.	.	262.3	C15H18O4	55.9	504	1.6	19	0	4	0	"InChI=1S/C15H18O4/c1-8-5-4-6-15(3)13(19-15)12-10(7-11(8)16)9(2)14(17)18-12/h5,10,12-13H,2,4,6-7H2,1,3H3/b8-5-/t10-,12-,13-,15+/m0/s1"	C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1=O)C(=C)C(=O)O3)C	MZDVWXBIIWIBTB-NGFBGBQSSA-N
DG62073	Herveline O	5459269	Herveline O; NSC676002; NSC-676002; CHEMBL1970008; NCI60_026842	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676002	.	.	.	.	638.7	C38H42N2O7	93.1	1030	6	47	2	9	8	"InChI=1S/C38H42N2O7/c1-39-12-11-22-15-34(44-4)35(19-26(22)29(39)13-21-7-9-24(41)10-8-21)47-37-28-17-31-25-18-32(42)33(43-3)16-23(25)14-30(40(31)2)27(28)20-36(45-5)38(37)46-6/h7-10,15-16,18-20,29-31,41-42H,11-14,17H2,1-6H3/t29-,30+,31+/m1/s1"	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC4=C5C[C@H]6C7=CC(=C(C=C7C[C@@H](C5=CC(=C4OC)OC)N6C)OC)O)OC	WQYVZFLXYIOFCT-AYQJTBPPSA-N
DG62074	NSC681466	5459276	"(1R,3aS,5aR,5bR,7aS,9S,11aS,13aR,13bR)-9-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid; NSC681466; NSC-681466; Lup-20(29)-en-28-oic acid, 3-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-, (3b)-; (1R,3aS,5aR,5bR,7aS,9S,11aS,13aR,13bR)-9-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681466	.	.	.	.	602.8	C39H54O5	94.8	1220	10.1	44	3	5	5	"InChI=1S/C39H54O5/c1-23(2)25-14-19-39(34(43)44)21-20-37(6)27(33(25)39)10-13-32-36(5)17-15-26(35(3,4)31(36)16-18-38(32,37)7)28(40)11-8-24-9-12-29(41)30(42)22-24/h8-9,11-12,22,25-27,31-33,41-42H,1,10,13-21H2,2-7H3,(H,43,44)/b11-8+/t25-,26+,27+,31-,32 ,33+,36-,37+,38+,39-/m0/s1"	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CCC4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C(=O)/C=C/C6=CC(=C(C=C6)O)O)C)C(=O)O	OPUNHZNTUGYRKF-XXRXEVJLSA-N
DG62075	"2-[(E)-2-[(1R,2S,8aS)-5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]ethenyl]butanedial"	5459280	NSC683483	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683483	.	.	.	.	318.4	C20H30O3	46.7	509	3.4	23	0	3	5	"InChI=1S/C20H30O3/c1-18(2)9-4-10-19(3)16(18)7-11-20(14-23-20)17(19)6-5-15(13-22)8-12-21/h5-6,12-13,15-17H,4,7-11,14H2,1-3H3/b6-5+/t15 ,16 ,17-,19+,20-/m1/s1"	C[C@]12CCCC(C1CC[C@]3([C@@H]2/C=C/C(CC=O)C=O)CO3)(C)C	CPBGTEFMMYPOLT-ZMMVRUNDSA-N
DG62076	"(2R,4S,6S,7E,9Z,11R)-2-hydroxy-4,9-dimethyl-14-methylidene-5,12-dioxatricyclo[9.3.0.04,6]tetradeca-7,9-dien-13-one"	5459288	Incomptina B; NSC685707	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685707	.	.	.	.	262.3	C15H18O4	59.1	504	1.2	19	1	4	0	"InChI=1S/C15H18O4/c1-8-4-5-12-15(3,19-12)7-10(16)13-9(2)14(17)18-11(13)6-8/h4-6,10-13,16H,2,7H2,1,3H3/b5-4+,8-6-/t10-,11-,12+,13 ,15+/m1/s1"	C/C/1=C/[C@@H]2C([C@@H](C[C@]3([C@@H](O3)\\C=C1)C)O)C(=C)C(=O)O2	XTYQOHXCXBVUDL-SLGLBISBSA-N
DG62077	Pervilleine A	5459292	"Pervilleine A; NSC687938; CHEMBL2005975; NSC-687938; [3-.alpha.-(3,5-trimethoxybenzoyloxy)-6.beta.-(E)-(3,4,5-trimethoxycinnamoyloxy)-7.beta.-hydroxytropane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687938	.	.	.	.	587.6	C30H37NO11	131	905	3.5	42	1	12	13	"InChI=1S/C30H37NO11/c1-31-19-14-18(41-30(34)17-12-23(37-4)29(40-7)24(13-17)38-5)15-20(31)27(26(19)33)42-25(32)9-8-16-10-21(35-2)28(39-6)22(11-16)36-3/h8-13,18-20,26-27,33H,14-15H2,1-7H3/b9-8+"	CN1C2CC(CC1C(C2O)OC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC	OWTUMFZGWWGYGZ-CMDGGOBGSA-N
DG62078	NSC83216	5459315	"(3S,5R,8R,9S,10R,13R,14S)-14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde; Apocannoside; 3751-87-9; NSC83216"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83216	.	.	.	.	532.7	C30H44O8	112	981	1.7	38	2	8	5	"InChI=1S/C30H44O8/c1-17-27(33)24(35-3)14-26(37-17)38-20-6-10-29(16-31)19(13-20)4-5-23-22(29)7-9-28(2)21(8-11-30(23,28)34)18-12-25(32)36-15-18/h12,16-17,19-24,26-27,33-34H,4-11,13-15H2,1-3H3/t17 ,19-,20+,21 ,22+,23-,24 ,26 ,27 ,28-,29-,30+/m1/s1"	CC1C(C(CC(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CCC5C6=CC(=O)OC6)O)C)C=O)OC)O	BVEFMGIAGANFEG-IYIIQKIWSA-N
DG62079	Vinleurosine sulfate	5459329	"Leurosine, sulfate; NSC90636; VINLEUROSINE SULFATE; Lilly 32645; Alkaloid isolated from Madagascar periwinkle; NSC528004; Viinleurosine sulfate; 23360-92-1; SCHEMBL10684121; NSC328898; AKOS030242409; NSC-328898; CATHARANTHUS ROSEUS ALKALOID B99752 K295"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90636	.	.	.	.	907	C46H58N4O13S	229	1830	.	64	4	16	10	"InChI=1S/C46H56N4O9.H2O4S/c1-8-42-16-12-18-50-20-17-44(37(42)50)30-21-31(34(55-5)22-33(30)48(4)38(44)46(54,41(53)57-7)39(42)58-26(3)51)45(40(52)56-6)23-27-24-49(25-43(9-2)36(27)59-43)19-15-29-28-13-10-11-14-32(28)47-35(29)45;1-5(2,3)4/h10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3;(H2,1,2,3,4)/t27-,36-,37+,38-,39-,42-,43+,44-,45+,46+;/m1./s1"	CC[C@]12CN3CCC4=C([C@](C[C@H](C3)[C@H]1O2)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C41.OS(=O)(=O)O	OREMAKNOJRHDJT-SQUPYDECSA-N
DG62080	Pinacyanol iodide	5463350	"Pinacyanol iodide; Carbocyanine; 605-91-4; 1,1'-Diethyl-2,2'-carbocyanine iodide; Pinacyanol; Pinacyanole; Sensitol Red; 1,1-DIETHYL-2,2-CARBOCYANINE IODIDE; MFCD00011975; QUINALDINE BLUE; (2Z)-1-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;iodide; CHEBI:52218; Quinaldine Blue, Iodide; NSC403532; AKOS000805665; NSC-403532; Quinolinium, 1-ethyl-2-[3-(1-ethyl-2(1H)-quinolinylidene)-1-propenyl]-, iodide; CS-0279185; P0436; 1,1'-Diethyl-2,2'-carbocyanine iodide, 96%; 1,1'-Diethyl-2,2'-carbocyanine iodide, 97%; 1-Ethyl-2-(3-(1-ethylquinolin-2(1h)-ylidene)prop-1-en-1-yl)quinolin-1-ium iodide; 1-ethyl-2-[3-(1-ethylquinolin-2(1H)-ylidene)prop-1-en-1-yl]quinolinium iodide; 15185-48-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403532	.	.	.	.	480.4	C25H25IN2	7.1	527	.	28	0	2	4	"InChI=1S/C25H25N2.HI/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1"	CCN1/C(=C/C=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41.[I-]	QWYZFXLSWMXLDM-UHFFFAOYSA-M
DG62081	"2-(2,4-Dichlorobenzoyl)-7-hydroxy-chromen-4-one"	5465338	"NSC646381; CHEMBL1975488; ZINC6513192; NSC-646381; NCI60_016046; 2-(2,4-dichlorobenzoyl)-7-hydroxy-chromen-4-one; 2-(2,4-Dichlorobenzoyl)-7-hydroxy-4H-chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646381	.	.	.	.	335.1	C16H8Cl2O4	63.6	504	4	22	1	4	2	"InChI=1S/C16H8Cl2O4/c17-8-1-3-10(12(18)5-8)16(21)15-7-13(20)11-4-2-9(19)6-14(11)22-15/h1-7,19H"	C1=CC2=C(C=C1O)OC(=CC2=O)C(=O)C3=C(C=C(C=C3)Cl)Cl	CANJQZFRAWCZJH-UHFFFAOYSA-N
DG62082	NSC649677	5465490	"N-[3-methoxy-4-[[7-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]-10H-indolo[3,2-b]quinolin-11-yl]amino]phenyl]methanesulfonamide; NSC649677; CHEMBL1979858; NSC-649677; NCI60_017339; N-(11-(2-Methoxy-4-((methylsulfonyl)amino)anilino)-10H-indolo[3,2-b]quinolin-7-yl)hexopyranosylamine; N-[3-methoxy-4-[[7-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]-10H-indolo[3,2-b]quinolin-11-yl]amino]phenyl]methanesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649677	.	.	.	.	609.7	C29H31N5O8S	207	1050	1.7	43	8	12	8	"InChI=1S/C29H31N5O8S/c1-41-21-12-15(34-43(2,39)40)8-10-20(21)33-23-16-5-3-4-6-18(16)31-24-17-11-14(7-9-19(17)32-25(23)24)30-29-28(38)27(37)26(36)22(13-35)42-29/h3-12,22,26-30,32,34-38H,13H2,1-2H3,(H,31,33)"	COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C(=NC4=CC=CC=C42)C5=C(N3)C=CC(=C5)NC6C(C(C(C(O6)CO)O)O)O	CLJYZHCDEHGXHG-UHFFFAOYSA-N
DG62083	"3H-Pyrazol-3-one, 2,4-dihydro-4-[(2-hydroxy-1-naphthalenyl)methylene]-2-(2-hydroxybenzoyl)-5-methyl-"	5465537	"NSC652183; CHEMBL2005104; NSC-652183; NCI60_018281; (4Z)-2-(2-hydroxybenzoyl)-4-[(2-hydroxy-1-naphthyl)methylene]-5-methyl-pyrazol-3-one; 3H-Pyrazol-3-one, 2,4-dihydro-4-[(2-hydroxy-1-naphthalenyl)methylene]-2-(2-hydroxybenzoyl)-5-methyl-; 3H-Pyrazol-3-one,4-dihydro-4-[(2-hydroxy- 1-naphthalenyl)methylene]-2-(2-hydroxybenzoyl)-5-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652183	.	.	.	.	372.4	C22H16N2O4	86.7	794	4	28	2	5	2	"InChI=1S/C22H16N2O4/c1-13-17(12-18-15-7-3-2-6-14(15)10-11-20(18)26)22(28)24(23-13)21(27)16-8-4-5-9-19(16)25/h2-12,23,25H,1H3/b18-12-"	CC1=C(C(=O)N(N1)C(=O)C2=CC=CC=C2O)/C=C/3\\C(=O)C=CC4=CC=CC=C43	IJYAUTDSQHSGQK-PDGQHHTCSA-N
DG62084	(4Z)-4-[(2-hydroxy-1-naphthyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one	5465542	"NSC652202; CHEMBL1987678; NSC-652202; NCI60_018301; (4Z)-4-[(2-hydroxy-1-naphthyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one; 4-((2-Hydroxy-1-naphthyl)methylene)-5-methyl-2-(phenylacetyl)-2,4-dihydro-3H-pyrazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652202	.	.	.	.	370.4	C23H18N2O3	66.5	771	3.7	28	1	4	3	"InChI=1S/C23H18N2O3/c1-15-19(14-20-18-10-6-5-9-17(18)11-12-21(20)26)23(28)25(24-15)22(27)13-16-7-3-2-4-8-16/h2-12,14,24H,13H2,1H3/b20-14-"	CC1=C(C(=O)N(N1)C(=O)CC2=CC=CC=C2)/C=C/3\\C(=O)C=CC4=CC=CC=C43	HFWIHSANEYYNGB-ZHZULCJRSA-N
DG62085	N-[4-[(4Z)-4-[(2-hydroxy-1-naphthyl)methylene]-3-methyl-5-oxo-pyrazole-1-carbonyl]phenyl]acetamide	5465546	"NSC652214; CHEMBL1975253; NSC-652214; NCI60_018313; N-(4-((4-((2-Hydroxy-1-naphthyl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide; N-[4-[(4Z)-4-[(2-hydroxy-1-naphthyl)methylene]-3-methyl-5-oxo-pyrazole-1-carbonyl]phenyl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652214	.	.	.	.	413.4	C24H19N3O4	95.6	893	3	31	2	5	3	"InChI=1S/C24H19N3O4/c1-14-20(13-21-19-6-4-3-5-16(19)9-12-22(21)29)24(31)27(26-14)23(30)17-7-10-18(11-8-17)25-15(2)28/h3-13,26H,1-2H3,(H,25,28)/b21-13-"	CC1=C(C(=O)N(N1)C(=O)C2=CC=C(C=C2)NC(=O)C)/C=C/3\\C(=O)C=CC4=CC=CC=C43	XRCKRMGRYQIBON-BKUYFWCQSA-N
DG62086	"N,2-Dicyclopentyl-1H-imidazo[4,5-c]quinolin-4-amine"	5465569	"NSC654949; CHEMBL19095; BDBM50011600; NSC-654949; NCI60_018993; N,2-Dicyclopentyl-1H-imidazo[4,5-c]quinolin-4-amine; 2-Cyclopentyl-4-cyclopentylamino-1H-imidazo[4,5-c]quinoline; Cyclopentyl-(2-cyclopentyl-1H-imidazo[4,5-c]quinolin-4-yl)-amine; N-Cyclopentyl-N-(2-cyclopentyl-1H-imidazo[4,5-c]quinolin-4-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654949	.	.	.	.	320.4	C20H24N4	53.6	429	5	24	2	3	3	"InChI=1S/C20H24N4/c1-2-8-13(7-1)19-23-17-15-11-5-6-12-16(15)22-20(18(17)24-19)21-14-9-3-4-10-14/h5-6,11-14H,1-4,7-10H2,(H,21,22)(H,23,24)"	C1CCC(C1)C2=NC3=C(N2)C(=NC4=CC=CC=C43)NC5CCCC5	VVEHKPZLRKEVHD-UHFFFAOYSA-N
DG62087	"5-Ethyl-3,9-dihydroxy-benzofuro[3,2-c]quinolin-6-one"	5465650	"NSC658208; CHEMBL1994690; YLUDELKUKHQCMC-UHFFFAOYSA-; NSC-658208; NCI60_020357; 5-ethyl-3,9-dihydroxy-benzofuro[3,2-c]quinolin-6-one; 5-Ethyl-3,9-dihydroxy[1]benzofuro[3,2-c]quinolin-6(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658208	.	.	.	.	295.29	C17H13NO4	73.9	456	2.7	22	2	4	1	"InChI=1S/C17H13NO4/c1-2-18-13-7-9(19)3-5-11(13)16-15(17(18)21)12-6-4-10(20)8-14(12)22-16/h3-8,19-20H,2H2,1H3"	CCN1C2=C(C=CC(=C2)O)C3=C(C1=O)C4=C(O3)C=C(C=C4)O	YLUDELKUKHQCMC-UHFFFAOYSA-N
DG62088	"6-Hydroxy-3,3,11,12-tetramethyl-pyrano[2,3-c]acridin-7-one"	5465763	"NSC660813; CHEMBL1964387; NSC-660813; NCI60_021193; 6-hydroxy-3,3,11,12-tetramethyl-pyrano[2,3-c]acridin-7-one; 6-Hydroxy-3,3,11,12-tetramethyl-3,12-dihydro-7H-pyrano[2,3-c]acridin-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660813	.	.	.	.	321.4	C20H19NO3	49.8	557	4.3	24	1	4	0	"InChI=1S/C20H19NO3/c1-11-6-5-7-13-17(11)21(4)18-12-8-9-20(2,3)24-15(12)10-14(22)16(18)19(13)23/h5-10,22H,1-4H3"	CC1=C2C(=CC=C1)C(=O)C3=C(N2C)C4=C(C=C3O)OC(C=C4)(C)C	MGXACOZTGFYFIT-UHFFFAOYSA-N
DG62089	1-hydroxy-3-methyl-10H-acridin-9-one	5465764	NSC660814; 1-hydroxy-3-methyl-10H-acridin-9-one; 91998-86-6; CHEMBL1210798; DTXSID70420195; NSC-660814; 1-Hydroxy-3-methyl-9(10H)-acridinone; 1-Hydroxy-3-methylacridin-9(10H)-one; NCI60_021194	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660814	.	.	.	.	225.24	C14H11NO2	49.3	317	3.5	17	2	3	0	"InChI=1S/C14H11NO2/c1-8-6-11-13(12(16)7-8)14(17)9-4-2-3-5-10(9)15-11/h2-7,16H,1H3,(H,15,17)"	CC1=CC2=C(C(=C1)O)C(=O)C3=CC=CC=C3N2	BMHHDKWYWYUBBR-UHFFFAOYSA-N
DG62090	"6'-Hydroxy-12'-methylspiro[cyclopentane-1,3'-pyrano[2,3-c]acridine]-7'-one"	5465765	"NSC660817; 908828-90-0; CHEMBL1996113; DTXSID30420196; NSC-660817; NCI60_021197; 6'-hydroxy-12'-methyl-spiro[cyclopentane-1,3'-pyrano[2,3-c]acridine]-7'-one; Spiro[cyclopentane-1,3'-[3H]pyrano[2,3-c]acridin]-7'(12'H)-one, 6'-hydroxy-12'-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660817	.	.	.	.	333.4	C21H19NO3	49.8	582	4.4	25	1	4	0	"InChI=1S/C21H19NO3/c1-22-15-7-3-2-6-13(15)20(24)18-16(23)12-17-14(19(18)22)8-11-21(25-17)9-4-5-10-21/h2-3,6-8,11-12,23H,4-5,9-10H2,1H3"	CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC5(CCCC5)C=C4	JIMTTZYAJQGBRG-UHFFFAOYSA-N
DG62091	Rutagravine	5465778	"Rutagravine; NSC661203; CHEMBL1977455; CHEBI:173150; NSC-661203; NCI60_021332; 3,6-Dihydroxy-3,12-dimethyl-3,3a,12,12c-tetrahydrofuro[2',3':4,5]furo[2,3-c]acridin-7(2H)-one; 6,11-dihydroxy-6,20-dimethyl-4,8-dioxa-20-azapentacyclo[10.8.0.0^{2,9}.0^{3,7}.0^{14,19}]icosa-1,9,11,14,16,18-hexaen-13-one; 6,11-dihydroxy-6,20-dimethyl-4,8-dioxa-20-azapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),10,14,16,18-hexaen-13-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661203	.	.	.	.	339.3	C19H17NO5	79.2	584	2.1	25	2	6	0	"InChI=1S/C19H17NO5/c1-19(23)8-24-17-14-12(25-18(17)19)7-11(21)13-15(14)20(2)10-6-4-3-5-9(10)16(13)22/h3-7,17-18,21,23H,8H2,1-2H3"	CC1(COC2C1OC3=C2C4=C(C(=C3)O)C(=O)C5=CC=CC=C5N4C)O	SWALXCKAJQTSAC-UHFFFAOYSA-N
DG62092	"Ethyl 2-hydroxypyrido[3',2':5,6]thiopyrano[4,3,2-de]quinoline-1-carboxylate"	5465992	"NSC671268; ethyl hydroxy[ ]carboxylate; CHEMBL1999356; ZINC13002374; NSC-671268; NCI60_025151; Ethyl 2-hydroxypyrido[3',2':5,6]thiopyrano[4,3,2-de]quinoline-1-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671268	.	.	.	.	324.4	C17H12N2O3S	93.6	562	2.4	23	1	5	3	"InChI=1S/C17H12N2O3S/c1-2-22-17(21)14-12-9-5-4-8-18-16(9)23-11-7-3-6-10(13(11)12)19-15(14)20/h3-8H,2H2,1H3,(H,19,20)"	CCOC(=O)C1=C2C3=C(N=CC=C3)SC4=CC=CC(=C42)NC1=O	RFPIBMZCWZLLFV-UHFFFAOYSA-N
DG62093	2-[(7-Hydroxy-2-oxo-chromen-8-yl)methylamino]-4-methylsulfanyl-butanoic acid	5466063	NSC673341; CHEMBL2003547; NSC-673341; NCI60_025975; N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)-S-methylhomocysteine; 2-[(7-hydroxy-2-oxo-chromen-8-yl)methylamino]-4-methylsulfanyl-butanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673341	.	.	.	.	323.4	C15H17NO5S	121	442	-0.2	22	3	7	7	"InChI=1S/C15H17NO5S/c1-22-7-6-11(15(19)20)16-8-10-12(17)4-2-9-3-5-13(18)21-14(9)10/h2-5,11,16-17H,6-8H2,1H3,(H,19,20)"	CSCCC(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C=C2)O	DECOECSJYTXEJZ-UHFFFAOYSA-N
DG62094	N-[4-(1-adamantyl)thiazol-2-yl]-7-hydroxy-2-oxo-chromene-3-carboxamide	5466102	"NSC675799; CHEMBL2004944; AKOS040727455; NSC-675799; NCI60_026741; F6782-3561; N-[4-(1-adamantyl)thiazol-2-yl]-7-hydroxy-2-oxo-chromene-3-carboxamide; N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-7-hydroxy-2-oxo-2H-chromene-3-carboxamide; N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-7-hydroxy-2-oxo-2H-chromene-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675799	.	.	.	.	422.5	C23H22N2O4S	117	742	4.8	30	2	6	3	"InChI=1S/C23H22N2O4S/c26-16-2-1-15-6-17(21(28)29-18(15)7-16)20(27)25-22-24-19(11-30-22)23-8-12-3-13(9-23)5-14(4-12)10-23/h1-2,6-7,11-14,26H,3-5,8-10H2,(H,24,25,27)"	C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CC6=C(C=C(C=C6)O)OC5=O	WWGRENIEFJNRSX-UHFFFAOYSA-N
DG62095	"6,8-Bis(4-(dimethylamino)benzyl)-1,4-dihydroxy-7H-benzo(a)cyclohepten-7-one"	5466111	"MLS002702283; NSC676441; 156306-84-2; UNII-N8DHY7XG29; N8DHY7XG29; SMR001565845; 6,8-Bis(4-(dimethylamino)benzyl)-1,4-dihydroxy-7H-benzo(a)cyclohepten-7-one; 6,8-Bis(4-(dimethylamino)benzyl)-1,4-dihydroxy-7H-benzo[a]cyclohepten-7-one; NSC 676441; CHEMBL1728065; BDBM80081; cid_5466111; DTXSID60166075; ZINC1645821; 6,4-dihydroxy-benzocyclohepten-7-one; NSC-676441; NCI60_027048; SR-01000880013; SR-01000880013-2; 6,8-Bis(p-dimethylaminobenzyl)-1, 4-dihydroxy-benzocyclohepten-7-one; 6,8-bis[4-(dimethylamino)benzyl]-1,4-dihydroxy-benzocyclohepten-7-one; 6,8-bis[(4-dimethylaminophenyl)methyl]-1,4-dihydroxy-benzo[7]annulen-7-one; 6,8-bis[[4-(dimethylamino)phenyl]methyl]-1,4-bis(oxidanyl)benzo[7]annulen-7-one; 6,8-bis[[4-(dimethylamino)phenyl]methyl]-1,4-dihydroxy-7-benzo[7]annulenone; 6,8-bis[[4-(dimethylamino)phenyl]methyl]-1,4-dihydroxybenzo[7]annulen-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676441	.	.	.	.	454.6	C29H30N2O3	64	695	5.8	34	2	5	6	"InChI=1S/C29H30N2O3/c1-30(2)23-9-5-19(6-10-23)15-21-17-25-26(28(33)14-13-27(25)32)18-22(29(21)34)16-20-7-11-24(12-8-20)31(3)4/h5-14,17-18,32-33H,15-16H2,1-4H3"	CN(C)C1=CC=C(C=C1)CC2=CC3=C(C=CC(=C3C=C(C2=O)CC4=CC=C(C=C4)N(C)C)O)O	ZKHPWXJFZAWDGA-UHFFFAOYSA-N
DG62096	"5,5-Dichloro-1,2,7,8,9,10,11,12,13,14-decaboraoctacyclo[6.6.0.02,6.03,6.03,14.07,10.09,12.011,13]tetradecane"	5466115	"NSC676527; 5,5-Dichloro-1,2,7,8,9,10,11,12,13,14-decaboraoctacyclo[6.6.0.0~2,6~.0~3,6~.0~3,14~.0~7,10~.0~9,12~.0~11,13~]tetradecane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676527	.	.	.	.	229.1	C4H2B10Cl2	0	567	.	16	0	0	0	InChI=1S/C4H2B10Cl2/c15-3(16)1-2-4(3)5(2)8-6(2)9-12-11-7(4)10(8)13(11)14(9)12/h1H2	B12B3B1B4B5B6B2B3B6C78B5C47CC8(Cl)Cl	RAVNFYPHCCHFAM-UHFFFAOYSA-N
DG62097	"2,4-Bis(chloromethyl)-1,3,5,6,7,8,9,10,11,12-decaboraheptacyclo[5.5.0.02,4.03,6.05,10.08,12.09,11]dodecane"	5466116	"NSC676528; bis(chloromethyl)[ ]; 2,4-Bis(chloromethyl)-1,3,5,6,7,8,9,10,11,12-decaboraheptacyclo[5.5.0.0~2,4~.0~3,6~.0~5,10~.0~8,12~.0~9,11~]dodecane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676528	.	.	.	.	231.1	C4H4B10Cl2	0	501	.	16	0	0	2	InChI=1S/C4H4B10Cl2/c15-1-3-4(2-16)5(3)8-6(3)10-13-11-7(4)9(8)12(11)14(10)13/h1-2H2	B12B3B1B4B5B6B2B3B6C7(B5C47CCl)CCl	JJJJIIDMTWWFMT-UHFFFAOYSA-N
DG62098	"4-Bromo-2-(bromomethyl)-1,3,5,6,7,8,9,10,11,12-decaboraheptacyclo[5.5.0.0~2,4~.0~3,6~.0~5,10~.0~8,12~.0~9,11~]dodecane"	5466117	"bromo(bromomethyl)[ ]; NSC676529; 4-Bromo-2-(bromomethyl)-1,3,5,6,7,8,9,10,11,12-decaboraheptacyclo[5.5.0.0~2,4~.0~3,6~.0~5,10~.0~8,12~.0~9,11~]dodecane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676529	.	.	.	.	306	C3H2B10Br2	0	485	.	15	0	0	1	InChI=1S/C3H2B10Br2/c14-1-2-3(15)4(2)7-6(3)10-12-9-5(2)8(7)11(9)13(10)12/h1H2	B12B3B1B4B5B6B2B3B6C7(B5C47Br)CBr	WJFGRBHHCUUGLE-UHFFFAOYSA-N
DG62099	"4-[(4-Methyl-1,3,5,6,7,8,9,10,11,12-decaboraheptacyclo[5.5.0.02,4.03,6.05,10.08,12.09,11]dodecan-2-yl)methoxy]benzoic acid"	5466119	"NSC676531; 4-[(methyl[ ]yl)methoxy]benzoic acid; 4-[(4-Methyl-1,3,5,6,7,8,9,10,11,12-decaboraheptacyclo[5.5.0.0~2,4~.0~3,6~.0~5,10~.0~8,12~.0~9,11~]dodec-2-yl)methoxy]benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676531	.	.	.	.	298.3	C11H10B10O3	46.5	731	.	24	1	3	4	"InChI=1S/C11H10B10O3/c1-10-11(6-24-8-4-2-7(3-5-8)9(22)23)12(10)15-13(10)16-19-18-14(11)17(15)20(18)21(16)19/h2-5H,6H2,1H3,(H,22,23)"	B12B3B1B4B5B6B2B3B6C7(B5C47C)COC8=CC=C(C=C8)C(=O)O	XOMZJPHKLQYYPW-UHFFFAOYSA-N
DG62100	NSC676532	5466120	"4-[(4-Carboxy-1,3,5,6,7,8,9,10,11,12-decaboraheptacyclo[5.5.0.02,4.03,6.05,10.08,12.09,11]dodecan-2-yl)methoxymethyl]-1,3,5,6,7,8,9,10,11,12-decaboraheptacyclo[5.5.0.02,4.03,6.05,10.08,12.09,11]dodecane-2-carboxylic acid; NSC676532; (carboxy[ ]yl)methoxymethyl[ ]carboxylic acid; 4-{[(4-Carboxy-1,3,5,6,7,8,9,10,11,12-decaboraheptacyclo[5.5.0.0~2,4~.0~3,6~.0~5,10~.0~8,12~.0~9,11~]dodec-2-yl)methoxy]methyl}-1,3,5,6,7,8,9,10,11,12-decaboraheptacyclo[5.5.0.0~2,4~.0~3,6~.0~5,10~.0~8,12~.0~9,11~]dodecane-2-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676532	.	.	.	.	398.4	C8H6B20O5	83.8	1350	.	33	2	5	6	"InChI=1S/C8H6B20O5/c29-3(30)7-6(10(7)16-13(7)21-25-19-12(6)17(16)23(19)28(21)25)2-33-1-5-8(4(31)32)9(5)15-11(5)18-24-22-14(8)20(15)26(22)27(18)24/h1-2H2,(H,29,30)(H,31,32)"	B12B3B1B4B5B6B2B3B6C7(B5C47COCC89B1B2B3B4B2B1B1B8C9(B1B43)C(=O)O)C(=O)O	LNCIEYNSDYLHAN-UHFFFAOYSA-N
DG62101	"2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one"	5466137	"93655-95-9; 2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one; NSC678102; UNII-7HE486U2L1; 7HE486U2L1; 5-Hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone; NSC 678102; CHEMBL1970394; DTXSID80239497; ZINC6403377; LMPK12112732; 5-Hydroxy-3,4'-methylenedioxyflavone; NSC-678102; NCI60_027973; 3,7-Dimethoxy-5-hydroxy-3',4'-(methylenedioxy)flavone; 2-(1,3-benzodioxol-5-yl)-5-hydroxy-3,7-dimethoxy-chromen-4-one; 4H-1-Benzopyran-4-one,3-benzodioxol-5-yl)-5-hydroxy-3,7-dimethoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678102	.	.	.	.	342.3	C18H14O7	83.4	560	3.3	25	1	7	3	"InChI=1S/C18H14O7/c1-21-10-6-11(19)15-14(7-10)25-17(18(22-2)16(15)20)9-3-4-12-13(5-9)24-8-23-12/h3-7,19H,8H2,1-2H3"	COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC4=C(C=C3)OCO4)O	KZBUZACVMLEHTG-UHFFFAOYSA-N
DG62102	"7-Amino-3-methyl[1,8]naphthyridin-2-ol"	5466188	"NSC680468; CHEMBL1987873; ZINC16958856; NSC-680468; 1931-46-0; DA-35827; NCI60_028685; 7-amino-3-methyl-1,8-naphthyridin-2-ol; 7-Amino-3-methyl[1,8]naphthyridin-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680468	.	.	.	.	175.19	C9H9N3O	68	262	0.6	13	2	3	0	"InChI=1S/C9H9N3O/c1-5-4-6-2-3-7(10)11-8(6)12-9(5)13/h2-4H,1H3,(H3,10,11,12,13)"	CC1=CC2=C(NC1=O)N=C(C=C2)N	SOGDUVFLHGEYGM-UHFFFAOYSA-N
DG62103	"7-(Acetylamino)-2-hydroxy-3-methyl[1,8]naphthyridine-4-carboxylic acid"	5466192	"NSC680508; CHEMBL1980321; ZINC8665714; NSC-680508; NCI60_028711; 7-acetamido-2-hydroxy-3-methyl-1,8-naphthyridine-4-carboxylic acid; 7-(Acetylamino)-2-hydroxy-3-methyl[1,8]naphthyridine-4-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680508	.	.	.	.	261.23	C12H11N3O4	108	472	-0.3	19	3	5	2	"InChI=1S/C12H11N3O4/c1-5-9(12(18)19)7-3-4-8(13-6(2)16)14-10(7)15-11(5)17/h3-4H,1-2H3,(H,18,19)(H2,13,14,15,16,17)"	CC1=C(C2=C(NC1=O)N=C(C=C2)NC(=O)C)C(=O)O	QBFGBGUKUXBWOQ-UHFFFAOYSA-N
DG62104	"6-Chloro-N-(3,4-dichlorophenyl)-9H-purin-2-amine"	5466206	"NSC681690; CHEMBL1982923; NSC-681690; NCI60_029183; 6-Chloro-N-(3,4-dichlorophenyl)-9H-purin-2-amine; N-(6-Chloro-9H-purin-2-yl)-N-(3,4-dichlorophenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681690	.	.	.	.	314.6	C11H6Cl3N5	66.5	321	4.2	19	2	4	2	"InChI=1S/C11H6Cl3N5/c12-6-2-1-5(3-7(6)13)17-11-18-9(14)8-10(19-11)16-4-15-8/h1-4H,(H2,15,16,17,18,19)"	C1=CC(=C(C=C1NC2=NC3=C(C(=N2)Cl)NC=N3)Cl)Cl	FSUMTLVROIWCNP-UHFFFAOYSA-N
DG62105	4-(4-Chlorophenyl)-N'-(diphenylmethylene)-2-hydroxy-4-oxo-2-butenohydrazide	5466242	NSC682572; CHEMBL1991423; STK526298; AKOS005459674; MCULE-9970855745; NSC-682572; NCI60_029573; (2Z)-4-(4-chlorophenyl)-N'-(diphenylmethylidene)-2-hydroxy-4-oxobut-2-enehydrazide; (Z)-N-(benzhydrylideneamino)-4-(4-chlorophenyl)-2-hydroxy-4-oxo-but-2-enamide; 4-(4-Chlorophenyl)-N'-(diphenylmethylene)-2-hydroxy-4-oxo-2-butenohydrazide; 171255-15-5	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682572	.	.	.	.	404.8	C23H17ClN2O3	78.8	606	5.6	29	2	4	6	"InChI=1S/C23H17ClN2O3/c24-19-13-11-16(12-14-19)20(27)15-21(28)23(29)26-25-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,27H,(H,26,29)/b20-15-"	C1=CC=C(C=C1)C(=NNC(=O)C(=O)/C=C(/C2=CC=C(C=C2)Cl)\\O)C3=CC=CC=C3	YVHAVORDFUTNNI-HKWRFOASSA-N
DG62106	"Propanedithioamide, 2-[(4-aminocarbonyl-1H-imidazol-5-yl)hydrazono]-N-methyl-"	5466293	"NSC684046; CHEMBL1965027; ZINC104316338; NSC-684046; 1H-Imidazole-4-carboxamide,3-dithioxo-2-propylidene]hydrazo]-; Propanedithioamide, 2-[(4-aminocarbonyl-1H-imidazol-5-yl)hydrazono]-N-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684046	.	.	.	.	285.4	C8H11N7OS2	198	397	0.3	18	5	6	5	"InChI=1S/C8H11N7OS2/c1-11-8(18)4(6(10)17)14-15-7-3(5(9)16)12-2-13-7/h2,15H,1H3,(H2,9,16)(H2,10,17)(H,11,18)(H,12,13)/b14-4-"	CNC(=S)/C(=N\\NC1=C(NC=N1)C(=O)N)/C(=S)N	HTLIKQVGPDUVIY-CPSFFCFKSA-N
DG62107	"4-Ethoxy-7H-imidazo[4,5-d][1,2,3]triazine"	5466296	"NSC684049; 4-Ethoxy-7H-imidazo[4,5-d][1,2,3]triazine; 1H-Imidazo[4,5-d]-1,2,3-triazine, 4-ethoxy-; 88795-61-3; CHEMBL1984755; ZINC5841202; STL436921; 4-ethoxy-7H-imidazo[4,5-d]triazine; AKOS005220489; MCULE-6490139959; NSC-684049; NCI60_030218; Ethyl 7H-imidazo[4,5-d][1,2,3]triazin-4-yl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684049	.	.	.	.	165.15	C6H7N5O	76.6	155	-0.1	12	1	5	2	"InChI=1S/C6H7N5O/c1-2-12-6-4-5(8-3-7-4)9-11-10-6/h3H,2H2,1H3,(H,7,8,9,10)"	CCOC1=NN=NC2=C1NC=N2	BCOZPDYBVYJCNR-UHFFFAOYSA-N
DG62108	2-[4-(6-Hexyl-7-hydroxy-2-oxo-chromen-3-yl)thiazol-2-yl]acetonitrile	5466312	"NSC684981; CHEMBL1967100; NSC-684981; NCI60_030562; 2-[4-(6-hexyl-7-hydroxy-2-oxo-chromen-3-yl)thiazol-2-yl]acetonitrile; (4-(6-Hexyl-7-hydroxy-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl)acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684981	.	.	.	.	368.5	C20H20N2O3S	111	585	4.9	26	1	6	7	"InChI=1S/C20H20N2O3S/c1-2-3-4-5-6-13-9-14-10-15(16-12-26-19(22-16)7-8-21)20(24)25-18(14)11-17(13)23/h9-12,23H,2-7H2,1H3"	CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)CC#N)O	RSSBBYHZNXTGIN-UHFFFAOYSA-N
DG62109	6-Hexyl-7-hydroxy-3-[2-(4-methoxyphenyl)thiazol-4-yl]chromen-2-one	5466313	"NSC684995; 6-Hexyl-7-hydroxy-3-(2-(4-methoxyphenyl)-1,3-thiazol-4-yl)-2H-chromen-2-one; 6-hexyl-7-hydroxy-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2H-chromen-2-one; CHEMBL1984902; ZINC1650063; STL580076; MCULE-7513531649; NSC-684995; NCI60_030576; 6-hexyl-7-hydroxy-3-[2-(4-methoxyphenyl)thiazol-4-yl]chromen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684995	.	.	.	.	435.5	C25H25NO4S	96.9	633	6.9	31	1	6	8	"InChI=1S/C25H25NO4S/c1-3-4-5-6-7-17-12-18-13-20(25(28)30-23(18)14-22(17)27)21-15-31-24(26-21)16-8-10-19(29-2)11-9-16/h8-15,27H,3-7H2,1-2H3"	CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C4=CC=C(C=C4)OC)O	TVVUAZIQQXSKBU-UHFFFAOYSA-N
DG62110	"(7-Chloro-4-hydroxy-5-oxo-thieno[3,2-b]xanthen-11-yl) acetate"	5466315	"NSC685032; CHEMBL1997064; NSC-685032; NCI60_030612; (7-chloro-4-hydroxy-5-oxo-thieno[3,2-b]xanthen-11-yl) acetate; 7-Chloro-4-hydroxy-5-oxo-5H-thieno[3,2-b]xanthen-11-yl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685032	.	.	.	.	360.8	C17H9ClO5S	101	543	4.6	24	1	6	2	"InChI=1S/C17H9ClO5S/c1-7(19)22-16-15-12(13(20)9-4-5-24-17(9)16)14(21)10-6-8(18)2-3-11(10)23-15/h2-6,20H,1H3"	CC(=O)OC1=C2C(=C(C3=C1OC4=C(C3=O)C=C(C=C4)Cl)O)C=CS2	BZLVRSJMEKBCTK-UHFFFAOYSA-N
DG62111	6-Chloro-N-(3-chloro-4-fluorophenyl)-9H-purin-2-amine	5466331	NSC685826; CHEMBL1992391; NSC-685826; NCI60_030869; 6-Chloro-N-(3-chloro-4-fluorophenyl)-9H-purin-2-amine; 6-chloro-N-(3-chloro-4-fluoro-phenyl)-9H-purin-2-amine; N-(3-Chloro-4-fluorophenyl)-N-(6-chloro-9H-purin-2-yl)amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685826	.	.	.	.	298.1	C11H6Cl2FN5	66.5	324	3.7	19	2	5	2	"InChI=1S/C11H6Cl2FN5/c12-6-3-5(1-2-7(6)14)17-11-18-9(13)8-10(19-11)16-4-15-8/h1-4H,(H2,15,16,17,18,19)"	C1=CC(=C(C=C1NC2=NC3=C(C(=N2)Cl)NC=N3)Cl)F	OOVQBOQEDPRQDP-UHFFFAOYSA-N
DG62112	"Hydrazinecarbothioamide,N-bis[(2-pyridinyl)methyl]-"	5466413	"NSC689533; MLS002702385; CHEMBL1973060; NSC-689533; Hydrazinecarbothioamide,N-bis[(2-pyridinyl)methyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689533	.	.	.	.	438.5	C25H22N6S	98.4	585	3.8	32	1	5	7	"InChI=1S/C25H22N6S/c32-25(30-29-24(20-10-2-1-3-11-20)23-14-6-9-17-28-23)31(18-21-12-4-7-15-26-21)19-22-13-5-8-16-27-22/h1-17H,18-19H2,(H,30,32)/b29-24-"	C1=CC=C(C=C1)/C(=N/NC(=S)N(CC2=CC=CC=N2)CC3=CC=CC=N3)/C4=CC=CC=N4	CIUKMZPIIFWZBP-OLFWJLLRSA-N
DG62113	"2-Benzyl-1-oxo-isothiazolo[5,4-b]pyridin-3-one"	5466428	"NSC690395; CHEMBL1965317; ZINC1652335; NSC-690395; NCI60_032458; 2-benzyl-1-oxo-isothiazolo[5,4-b]pyridin-3-one; 2-Benzylisothiazolo[5,4-b]pyridin-3(2H)-one 1-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690395	.	.	.	.	258.3	C13H10N2O2S	69.5	355	1.3	18	0	4	2	"InChI=1S/C13H10N2O2S/c16-13-11-7-4-8-14-12(11)18(17)15(13)9-10-5-2-1-3-6-10/h1-8H,9H2"	C1=CC=C(C=C1)CN2C(=O)C3=C(S2=O)N=CC=C3	JCXBRLKKOFSIHN-UHFFFAOYSA-N
DG62114	1-Bromo-2-iodo-trans-2-butene	5466664	NSC640440; 1-Bromo-2-iodo-trans-2-butene; CHEMBL1967045; (E)-1-Bromo-2-iodo-2-butene; ZINC1626308; NSC-640440	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640440	.	.	.	.	260.899	C4H6BrI	0	58.6	2.8	6	0	0	1	"InChI=1S/C4H6BrI/c1-2-4(6)3-5/h2H,3H2,1H3/b4-2+"	C/C=C(\\CBr)/I	BWGFXGKYRIWCCL-DUXPYHPUSA-N
DG62115	3'-Carboxypropionyl-(Z)-combretastatin A-4	5466667	NSC640519; CHEMBL1996522; SCHEMBL23480624; ZINC5808861; NSC-640519; 3'-Carboxypropionyl-(Z)-combretastatin A-4	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640519	.	.	.	.	416.4	C22H24O8	101	564	3.3	30	1	8	11	"InChI=1S/C22H24O8/c1-26-16-8-7-14(11-17(16)30-21(25)10-9-20(23)24)5-6-15-12-18(27-2)22(29-4)19(13-15)28-3/h5-8,11-13H,9-10H2,1-4H3,(H,23,24)/b6-5-"	COC1=C(C=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC)OC(=O)CCC(=O)O	BRHUMXPSUSFJQJ-WAYWQWQTSA-N
DG62116	"2,3-Bis(4-(2-(diethylamino)ethoxy)phenyl)acrylonitrile"	5466693	"NSC641161; 2,3-Bis(4-(2-(diethylamino)ethoxy)phenyl)acrylonitrile; 2052-75-7; NSC64977; NSC 64977; NSC 641161; CHEMBL1972345; (Z)-2,3-bis[4-(2-diethylaminoethyloxy)phenyl]prop-2-enenitrile; ZINC17002505; NSC-641161; (Z)-2,3-Bis-[4-[2-(diethylamino)ethoxy]phenyl]propenenitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641161	.	.	.	.	435.6	C27H37N3O2	48.7	561	5.2	32	0	5	14	"InChI=1S/C27H37N3O2/c1-5-29(6-2)17-19-31-26-13-9-23(10-14-26)21-25(22-28)24-11-15-27(16-12-24)32-20-18-30(7-3)8-4/h9-16,21H,5-8,17-20H2,1-4H3/b25-21+"	CCN(CC)CCOC1=CC=C(C=C1)/C=C(\\C#N)/C2=CC=C(C=C2)OCCN(CC)CC	IXALFAKDQLWUOL-NJNXFGOHSA-N
DG62117	Antineoplastic-641454	5466704	NSC641454; CHEMBL2003735; ANTINEOPLASTIC-641454; NSC-641454; 3'-O-(Dimethylaminoethylcarbonyl)-(Z)-combretastatin A-4	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641454	.	.	.	.	467	C23H31ClN2O6	78.5	544	.	32	2	7	11	"InChI=1S/C23H30N2O6.ClH/c1-25(2)12-11-24-23(26)31-19-13-16(9-10-18(19)27-3)7-8-17-14-20(28-4)22(30-6)21(15-17)29-5;/h7-10,13-15H,11-12H2,1-6H3,(H,24,26);1H/b8-7-;"	CN(C)CCNC(=O)OC1=C(C=CC(=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC)OC.Cl	CJFQFKRQEHCVFU-CFYXSCKTSA-N
DG62118	"(Z)-3,4,5-Trimethoxy-4'-ethylstilbene"	5466706	"CHEMBL75284; NSC641484; SCHEMBL9190553; ZINC5809707; BDBM50006675; (Z)-3,5-Trimethoxy-4'-ethylstilbene; NSC-641484; (Z)-3,4,5-Trimethoxy-4'-ethylstilbene; (Z)-3,5,-TRIMETHOXY-4'-ETHYLSTILBENE; 5-[2-(4-Ethyl-phenyl)-vinyl]-1,2,3-trimethoxy-benzene; 5-[(Z)-2-(4-Ethyl-phenyl)-vinyl]-1,2,3-trimethoxy-benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641484	.	.	.	.	298.4	C19H22O3	27.7	320	4.9	22	0	3	6	"InChI=1S/C19H22O3/c1-5-14-6-8-15(9-7-14)10-11-16-12-17(20-2)19(22-4)18(13-16)21-3/h6-13H,5H2,1-4H3/b11-10-"	CCC1=CC=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC	ATPLLJHVRJWGIN-KHPPLWFESA-N
DG62119	Antineoplastic-642198	5466745	"NSC642198; CHEMBL1995291; ANTINEOPLASTIC-642198; NSC-642198; 3'-O-(L)-[2-amino-4-carboxybutyryl)-(Z)-combretastatin A-4, trifluroacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642198	.	.	.	.	559.5	C25H28F3NO10	164	697	.	39	3	14	12	"InChI=1S/C23H27NO8.C2HF3O2/c1-28-17-9-7-14(11-18(17)32-23(27)16(24)8-10-21(25)26)5-6-15-12-19(29-2)22(31-4)20(13-15)30-3;3-2(4,5)1(6)7/h5-7,9,11-13,16H,8,10,24H2,1-4H3,(H,25,26);(H,6,7)/b6-5-;"	COC1=C(C=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC)OC(=O)C(CCC(=O)O)N.C(=O)(C(F)(F)F)O	BVHNLAVZJZWVIX-YSMBQZINSA-N
DG62120	"2-(2-Chlorophenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methylpiperidin-4-yl)chromen-4-one"	5466794	"Flavopiridol; 146426-40-6; 2-(2-chlorophenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methylpiperidin-4-yl)-4h-chromen-4-one; Kinome_3211; Kinome_3213; Neuro_000356; CHEMBL422897; SCHEMBL5868074; BDBM384357; HMS3244M03; HMS3244M04; HMS3244N03; HMS3265A23; HMS3265A24; HMS3265B23; HMS3265B24; NSC642740; US9932327, Compound Flavopiridol; AKOS032947272; NSC-642740; SB16652; 2-(2-chlorophenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methylpiperidin-4-yl)chromen-4-one; NCGC00389551-02; NCI60_014473; FT-0601569; 2'-Chloro-5,7-dihydroxy-8-(1-methyl-3-hydroxypiperidin-4-yl)flavone; 4H-1-Benzopyran-4-one,7-dihydroxy- 8-(3-hydroxy-1-methyl-4-piperidinyl)-; 810696-13-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642740	.	.	.	.	401.8	C21H20ClNO5	90.2	628	3.3	28	3	6	2	"InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3"	CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	BIIVYFLTOXDAOV-UHFFFAOYSA-N
DG62121	Antineoplastic-643001	5466797	"NSC643001; Combretastatin A-4 Phosphate Ammonium salt; SCHEMBL3179235; CHEMBL1972559; ANTINEOPLASTIC-643001; ANTINEOPLASTIC-645645; NSC645645; NSC-643001; NSC-645645; 3'O-phosphono-(Z)-combretastatin A-4, hydrate [10:15:4]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645645	.	.	.	.	413.4	C18H24NO8P	105	508	.	28	3	9	8	"InChI=1S/C18H21O8P.H3N/c1-22-14-8-7-12(9-15(14)26-27(19,20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3;/h5-11H,1-4H3,(H2,19,20,21);1H3/b6-5-;"	COC1=C(C=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC)OP(=O)(O)O.N	NYUPFPFTYCWUEZ-YSMBQZINSA-N
DG62122	"4-(3-Oxo-2,3-diphenyl-1-propenyl)benzonitrile"	5466802	"NSC643134; CHEMBL1975326; ZINC5810702; NSC-643134; 4-(3-Oxo-2,3-diphenyl-1-propenyl)benzonitrile; 4-[(E)-3-oxo-2,3-diphenyl-prop-1-enyl]benzonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643134	.	.	.	.	309.4	C22H15NO	40.9	491	5	24	0	2	4	InChI=1S/C22H15NO/c23-16-18-13-11-17(12-14-18)15-21(19-7-3-1-4-8-19)22(24)20-9-5-2-6-10-20/h1-15H/b21-15+	C1=CC=C(C=C1)/C(=C\\C2=CC=C(C=C2)C#N)/C(=O)C3=CC=CC=C3	QVERZGUSXAQUEQ-RCCKNPSSSA-N
DG62123	"2-[[2-[4-[(E)-2-Chloro-1,2-diphenylethenyl]phenoxy]ethyl]amino]ethanol"	5466853	"NSC644607; CHEMBL1988458; ZINC1629220; NSC-644607; 2-[[2-[4-[(E)-2-Chloro-1,2-diphenylethenyl]phenoxy]ethyl]amino]ethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644607	.	.	.	.	393.9	C24H24ClNO2	41.5	461	5.4	28	2	3	9	"InChI=1S/C24H24ClNO2/c25-24(21-9-5-2-6-10-21)23(19-7-3-1-4-8-19)20-11-13-22(14-12-20)28-18-16-26-15-17-27/h1-14,26-27H,15-18H2/b24-23+"	C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\\Cl)/C3=CC=C(C=C3)OCCNCCO	OUGZFJVFHAPYBT-WCWDXBQESA-N
DG62124	"Carbamothioic acid, 1-methylethyl ester, (E,Z mixture)"	5466896	"CHEMBL1972801; NSC-645115; Carbamothioic acid, 1-methylethyl ester, (E,Z mixture)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645115	.	.	.	.	599.6	C28H36Cl2N2O4S2	125	310	.	38	2	6	12	"InChI=1S/2C14H18ClNO2S/c2*1-4-5-8-17-13-9-11(6-7-12(13)15)16-14(19)18-10(2)3/h2*4-7,9-10H,8H2,1-3H3,(H,16,19)/b5-4+;5-4-"	C/C=C/COC1=C(C=CC(=C1)NC(=S)OC(C)C)Cl.C/C=C\\COC1=C(C=CC(=C1)NC(=S)OC(C)C)Cl	CUADSUNBLWURTR-RIPGEZAJSA-N
DG62125	3-(4-(2-Oxo-2-(4-phenyl-1-piperazinyl)ethoxy)phenyl)-1-phenyl-2-propen-1-one	5466903	NSC645389; CHEMBL1965768; ZINC5732769; NSC-645389; (E)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-1-phenyl-prop-2-en-1-one; 3-(4-(2-Oxo-2-(4-phenyl-1-piperazinyl)ethoxy)phenyl)-1-phenyl-2-propen-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645389	.	.	.	.	426.5	C27H26N2O3	49.8	621	4.8	32	0	4	7	"InChI=1S/C27H26N2O3/c30-26(23-7-3-1-4-8-23)16-13-22-11-14-25(15-12-22)32-21-27(31)29-19-17-28(18-20-29)24-9-5-2-6-10-24/h1-16H,17-21H2/b16-13+"	C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)/C=C/C(=O)C4=CC=CC=C4	FRXRUVNVFQKNNB-DTQAZKPQSA-N
DG62126	(E)-1-(4-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one	5466905	NSC645393; CHEMBL1997333; ZINC5732773; NSC-645393; (E)-1-(4-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one; 1-(4-Methoxyphenyl)-3-(4-(2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy)phenyl)-2-propen-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645393	.	.	.	.	456.5	C28H28N2O4	59.1	666	4.8	34	0	5	8	"InChI=1S/C28H28N2O4/c1-33-25-14-10-23(11-15-25)27(31)16-9-22-7-12-26(13-8-22)34-21-28(32)30-19-17-29(18-20-30)24-5-3-2-4-6-24/h2-16H,17-21H2,1H3/b16-9+"	COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=C4	AFCHMPVIQWGBKF-CXUHLZMHSA-N
DG62127	"2-(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide"	5466906	"NSC645394; CHEMBL1973056; ZINC5811758; NSC-645394; 2-(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide; 2-[4-[(E)-3-(4-chlorophenyl)-3-oxo-prop-1-enyl]phenoxy]-N-(2,6-dichlorophenyl)-2-methyl-propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645394	.	.	.	.	488.8	C25H20Cl3NO3	55.4	657	7	32	1	3	7	"InChI=1S/C25H20Cl3NO3/c1-25(2,24(31)29-23-20(27)4-3-5-21(23)28)32-19-13-6-16(7-14-19)8-15-22(30)17-9-11-18(26)12-10-17/h3-15H,1-2H3,(H,29,31)/b15-8+"	CC(C)(C(=O)NC1=C(C=CC=C1Cl)Cl)OC2=CC=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)Cl	KAGCQRGLNSLRDP-OVCLIPMQSA-N
DG62128	"2-(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)-N-(2,6-dichlorophenyl)acetamide"	5466907	"NSC645397; CHEMBL1966681; ZINC5811762; NSC-645397; 2-(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)-N-(2,6-dichlorophenyl)acetamide; 2-[4-[(E)-3-(4-chlorophenyl)-3-oxo-prop-1-enyl]phenoxy]-N-(2,6-dichlorophenyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645397	.	.	.	.	460.7	C23H16Cl3NO3	55.4	589	6.4	30	1	3	7	"InChI=1S/C23H16Cl3NO3/c24-17-9-7-16(8-10-17)21(28)13-6-15-4-11-18(12-5-15)30-14-22(29)27-23-19(25)2-1-3-20(23)26/h1-13H,14H2,(H,27,29)/b13-6+"	C1=CC(=C(C(=C1)Cl)NC(=O)COC2=CC=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)Cl)Cl	ZVIFVIRKAXWYIL-AWNIVKPZSA-N
DG62129	"(3Z,5S)-5,9-dihydroxy-4-(4-hydroxyphenyl)-5,6-dihydro-1-benzoxocin-2-one"	5466955	NSC645992; CHEMBL1965250; NSC-645992	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645992	.	.	.	.	298.29	C17H14O5	87	438	1.9	22	3	5	1	"InChI=1S/C17H14O5/c18-12-4-1-10(2-5-12)14-9-17(21)22-16-8-13(19)6-3-11(16)7-15(14)20/h1-6,8-9,15,18-20H,7H2/b14-9-/t15-/m0/s1"	C1[C@@H](/C(=C\\C(=O)OC2=C1C=CC(=C2)O)/C3=CC=C(C=C3)O)O	WRIXGOHFTHKWMM-MZLJFPOFSA-N
DG62130	Mixture of Specioside A & B	5466956	NSC645993; Mixture of Specioside A & B; NSC-645993	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645993	.	.	.	.	920.9	C46H48O20	332	1410	.	66	12	20	8	"InChI=1S/2C23H24O10/c24-10-18-20(28)21(29)22(30)23(33-18)32-17-7-12-3-6-14(26)8-16(12)31-19(27)9-15(17)11-1-4-13(25)5-2-11;24-10-18-20(28)21(29)22(30)23(33-18)31-14-6-3-12-7-16(26)15(9-19(27)32-17(12)8-14)11-1-4-13(25)5-2-11/h1-6,8-9,17-18,20-26,28-30H,7,10H2;1-6,8-9,16,18,20-26,28-30H,7,10H2/b2*15-9-/t17-,18 ,20 ,21 ,22 ,23 ;16-,18 ,20 ,21 ,22 ,23 /m01/s1"	C1[C@H](/C(=C\\C(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)/C4=CC=C(C=C4)O)O.C1[C@@H](/C(=C\\C(=O)OC2=C1C=CC(=C2)O)/C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O	AUXBIANTKGGJDG-KESAZARESA-N
DG62131	Kedarcidin	5466986	Kedarcidin; NSC646276; CHEMBL2006908; NSC-646276	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646276	.	.	.	.	1030.5	C53H60ClN3O16	239	2240	4.2	73	5	18	11	"InChI=1S/C53H60ClN3O16/c1-25(2)67-38-18-29-17-35(58)33(21-32(29)45(64-8)46(38)65-9)50(61)56-34-20-31-15-16-37(49(54)55-31)70-39-19-30-14-13-28(40(24-66-51(34)62)71-42-22-36(59)44(57(6)7)26(3)68-42)11-10-12-41-53(30,73-41)48(39)72-43-23-52(5,63)47(60)27(4)69-43/h11,15-19,21,25-27,34,36,39-44,47-48,58-60,63H,20,22-24H2,1-9H3,(H,56,61)/b28-11+/t26 ,27 ,34 ,36 ,39-,40 ,41 ,42 ,43 ,44 ,47 ,48 ,52 ,53 /m1/s1"	CC1C(C(CC(O1)OC\\2COC(=O)C(CC3=NC(=C(C=C3)O[C@@H]4C=C5C#C/C2=C\\C#CC6C5(C4OC7CC(C(C(O7)C)O)(C)O)O6)Cl)NC(=O)C8=C(C=C9C=C(C(=C(C9=C8)OC)OC)OC(C)C)O)O)N(C)C	GFTRTMUGNRZABD-VQJYGPLWSA-N
DG62132	Antineoplastic-646699	5466995	"NSC646699; CHEMBL1995127; ANTINEOPLASTIC-646699; NSC-646699; 3'-O-(L)-(2-amino-4-carboxybutyryl)-(Z)-combretastatin A-4, etherate, hydrate [10:10:1:20]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646699	.	.	.	.	481.9	C23H28ClNO8	127	613	.	33	3	9	12	"InChI=1S/C23H27NO8.ClH/c1-28-17-9-7-14(11-18(17)32-23(27)16(24)8-10-21(25)26)5-6-15-12-19(29-2)22(31-4)20(13-15)30-3;/h5-7,9,11-13,16H,8,10,24H2,1-4H3,(H,25,26);1H/b6-5-;"	COC1=C(C=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC)OC(=O)C(CCC(=O)O)N.Cl	JGCHTLLCPLBFEH-YSMBQZINSA-N
DG62133	"[(E)-6,7-dihydroxy-8-methoxy-2-methyl-9-oxo-9-[(2-oxoazepan-3-yl)amino]non-3-en-5-yl] tetradecanoate"	5467019	NSC646847; CHEMBL1966111; NSC-646847	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646847	.	.	.	.	568.8	C31H56N2O7	134	743	6.8	40	4	7	22	"InChI=1S/C31H56N2O7/c1-5-6-7-8-9-10-11-12-13-14-15-19-26(34)40-25(21-20-23(2)3)27(35)28(36)29(39-4)31(38)33-24-18-16-17-22-32-30(24)37/h20-21,23-25,27-29,35-36H,5-19,22H2,1-4H3,(H,32,37)(H,33,38)/b21-20+"	CCCCCCCCCCCCCC(=O)OC(/C=C/C(C)C)C(C(C(C(=O)NC1CCCCNC1=O)OC)O)O	ZVRFWGNDDYSRLF-QZQOTICOSA-N
DG62134	"[(E)-6,7-dihydroxy-8-methoxy-2-methyl-9-[(1-methyl-2-oxoazepan-3-yl)amino]-9-oxonon-3-en-5-yl] tetradecanoate"	5467020	NSC646848; CHEMBL1973236; NSC-646848	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646848	.	.	.	.	582.8	C32H58N2O7	125	773	7	41	3	7	22	"InChI=1S/C32H58N2O7/c1-6-7-8-9-10-11-12-13-14-15-16-20-27(35)41-26(22-21-24(2)3)28(36)29(37)30(40-5)31(38)33-25-19-17-18-23-34(4)32(25)39/h21-22,24-26,28-30,36-37H,6-20,23H2,1-5H3,(H,33,38)/b22-21+"	CCCCCCCCCCCCCC(=O)OC(/C=C/C(C)C)C(C(C(C(=O)NC1CCCCN(C1=O)C)OC)O)O	BIXCWCVYGIQELL-QURGRASLSA-N
DG62135	"(13Z)-15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,13,16-hexaene"	5467028	"NSC646969; CHEMBL1998308; NSC-646969; 2H-3,7-Methanoazacycloundecino[5,4-b]indole, 7-ethyl-1,4,7,10-tetrahydro-, (8Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646969	.	.	.	.	278.4	C19H22N2	19	441	4.3	21	1	1	1	"InChI=1S/C19H22N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-8,10-11,20H,2,9,12-14H2,1H3/b11-8-"	CCC/12CN(CCC3=C(/C=C1)NC4=CC=CC=C34)CC=C2	MSGYVJRBNLKUPF-FLIBITNWSA-N
DG62136	"2'-(Diethylaminomethyl)-(Z)-combrestastatin A-4, hydrochloride[1:1]"	5467057	"NSC647247; CHEMBL1978879; NSC-647247; 2'-(Diethylaminomethyl)-(Z)-combrestastatin A-4, hydrochloride[1:1]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647247	.	.	.	.	438	C23H32ClNO5	60.4	470	.	30	2	6	10	"InChI=1S/C23H31NO5.ClH/c1-7-24(8-2)15-18-17(11-12-19(26-3)22(18)25)10-9-16-13-20(27-4)23(29-6)21(14-16)28-5;/h9-14,25H,7-8,15H2,1-6H3;1H/b10-9-;"	CCN(CC)CC1=C(C=CC(=C1O)OC)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC.Cl	ODKVLOQXCUCWSB-KVVVOXFISA-N
DG62137	"7-Bromodibenzo[a,c]cycloocten-5(6H)-one"	5467079	"NSC647350; CHEMBL1977145; NSC-647350; 7-Bromodibenzo[a,c]cycloocten-5(6H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647350	.	.	.	.	299.16	C16H11BrO	17.1	360	4.2	18	0	1	0	"InChI=1S/C16H11BrO/c17-12-9-11-5-1-2-6-13(11)14-7-3-4-8-15(14)16(18)10-12/h1-9H,10H2/b12-9+"	C1/C(=C\\C2=CC=CC=C2C3=CC=CC=C3C1=O)/Br	WTBQKTXQSJRFSR-FMIVXFBMSA-N
DG62138	"ethyl (Z)-2-iodo-3-(3,4,5-trimethoxyphenyl)prop-2-enoate"	5467081	"NSC647361; CHEMBL2005960; ethyl (Z)-2-iodo-3-(3,4,5-trimethoxyphenyl)prop-2-enoate; NSC-647361; Ethyl 2-iodo-3-(3,4,5-trimethoxyphenyl)acrylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647361	.	.	.	.	392.19	C14H17IO5	54	331	3.1	20	0	5	7	"InChI=1S/C14H17IO5/c1-5-20-14(16)10(15)6-9-7-11(17-2)13(19-4)12(8-9)18-3/h6-8H,5H2,1-4H3/b10-6-"	CCOC(=O)/C(=C/C1=CC(=C(C(=C1)OC)OC)OC)/I	LNVIVYFKOQNPQL-POHAHGRESA-N
DG62139	[3-keto-Bmt(sup 1)]-[Val(sup 2)]-Cyclosporin	5467197	CHEMBL1964402; NSC648265; NSC-648265; [3-keto-Bmt(sup 1)]-[Val(sup 2)]-Cyclosporin	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648265	.	.	.	.	1214.6	C63H111N11O12	276	2410	7.7	86	4	12	15	"InChI=1S/C63H111N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-52H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43+,44+,45+,46+,47+,49+,50+,51+,52 /m1/s1"	C/C=C/C[C@@H](C)C(=O)C1C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C(C)C	YJDYDFNKCBANTM-QBFCYDOWSA-N
DG62140	NSC648386	5467207	"(2E,6E,8E)-10-[9-butyl-8-[(E)-4-carboxy-3-methylbut-3-enyl]-9-(3-carboxypropanoyloxy)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid; NSC648386; CHEMBL1993898; NSC-648386"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648386	.	.	.	.	662.8	C36H54O11	177	1200	6.1	47	4	11	19	"InChI=1S/C36H54O11/c1-6-7-19-35(47-34(44)17-16-32(40)41)21-22-36(46-30(35)14-10-25(3)23-33(42)43)20-18-27(5)29(45-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-9,11-12,15,23,26-30,37H,6-7,10,13-14,16-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/b12-8+,15-11+,24-9+,25-23+"	CCCCC1(CCC2(CCC(C(O2)C/C=C(\\C)/C=C/C(C(C)/C=C/C(=O)O)O)C)OC1CC/C(=C/C(=O)O)/C)OC(=O)CCC(=O)O	WBKGGGSUUMPJST-FUPTYHQXSA-N
DG62141	"3-[(E)-hex-1-enyl]-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline"	5467212	"NSC648557; CHEMBL1976657; NSC-648557; 3-(1-Hexenyl)-2-((4-methylphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline; 3-[(E)-hex-1-enyl]-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline; 1,2,3,4-Tetrahydro-2-(4-methylphenylsulfonyl)-3-[(E)-1-hexenyl]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648557	.	.	.	.	369.5	C22H27NO2S	45.8	557	5.4	26	0	3	6	"InChI=1S/C22H27NO2S/c1-3-4-5-6-11-21-16-19-9-7-8-10-20(19)17-23(21)26(24,25)22-14-12-18(2)13-15-22/h6-15,21H,3-5,16-17H2,1-2H3/b11-6+"	CCCC/C=C/C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C	LJHPNCDMTWAWSV-IZZDOVSWSA-N
DG62142	(2E)-2-butylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride	5467289	NSC649903; CHEMBL1978627; NSC-649903	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649903	.	.	.	.	231.76	C12H22ClNO	20.3	231	.	15	1	2	4	"InChI=1S/C12H21NO.ClH/c1-4-5-6-10-7-8-11(12(10)14)9-13(2)3;/h6,11H,4-5,7-9H2,1-3H3;1H/b10-6+;"	CCC/C=C/1\\CCC(C1=O)CN(C)C.Cl	VSRNFYAUOSNDBW-AAGWESIMSA-N
DG62143	(5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one;hydrochloride	5467291	NSC649904; CHEMBL2007004; NSC-649904	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649904	.	.	.	.	287.82	C15H26ClNO2	29.5	306	.	19	1	3	5	"InChI=1S/C15H25NO2.ClH/c1-2-3-4-5-13-6-7-14(15(13)17)12-16-8-10-18-11-9-16;/h5,14H,2-4,6-12H2,1H3;1H/b13-5+;"	CCCC/C=C/1\\CCC(C1=O)CN2CCOCC2.Cl	BGPKXKMFENYSDC-CMZQJCRFSA-N
DG62144	(5E)-2-[(dimethylamino)methyl]-5-hexylidenecyclopentan-1-one	5467295	NSC649906; CHEMBL1977738; NSC-649906	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649906	.	.	.	.	223.35	C14H25NO	20.3	256	3.3	16	0	2	6	"InChI=1S/C14H25NO/c1-4-5-6-7-8-12-9-10-13(14(12)16)11-15(2)3/h8,13H,4-7,9-11H2,1-3H3/b12-8+"	CCCCC/C=C/1\\CCC(C1=O)CN(C)C	QUGSOUOTWFTUPI-XYOKQWHBSA-N
DG62145	(2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride	5467296	NSC649907; CHEMBL1995890; NSC-649907	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649907	.	.	.	.	315.9	C17H30ClNO2	29.5	332	.	21	1	3	7	"InChI=1S/C17H29NO2.ClH/c1-2-3-4-5-6-7-15-8-9-16(17(15)19)14-18-10-12-20-13-11-18;/h7,16H,2-6,8-14H2,1H3;1H/b15-7+;"	CCCCCC/C=C/1\\CCC(C1=O)CN2CCOCC2.Cl	ANDLESYYMFDWQE-HAZZGOGXSA-N
DG62146	(5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one;hydrochloride	5467298	NSC649908; CHEMBL1996529; NSC-649908	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649908	.	.	.	.	301.9	C17H32ClNO	20.3	294	.	20	1	2	9	"InChI=1S/C17H31NO.ClH/c1-4-5-6-7-8-9-10-11-15-12-13-16(17(15)19)14-18(2)3;/h11,16H,4-10,12-14H2,1-3H3;1H/b15-11+;"	CCCCCCCC/C=C/1\\CCC(C1=O)CN(C)C.Cl	VZESQSCDFJJJKY-KRWCAOSLSA-N
DG62147	(2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride	5467300	NSC649909; CHEMBL1997934; NSC-649909	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649909	.	.	.	.	315.9	C18H34ClNO	20.3	307	.	21	1	2	10	"InChI=1S/C18H33NO.ClH/c1-4-5-6-7-8-9-10-11-12-16-13-14-17(18(16)20)15-19(2)3;/h12,17H,4-11,13-15H2,1-3H3;1H/b16-12+;"	CCCCCCCCC/C=C/1\\CCC(C1=O)CN(C)C.Cl	KSNUXNPKZVEQON-CLNHMMGSSA-N
DG62148	(2E)-2-decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride	5467302	NSC649910; CHEMBL1974833; NSC-649910	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649910	.	.	.	.	358	C20H36ClNO2	29.5	372	.	24	1	3	10	"InChI=1S/C20H35NO2.ClH/c1-2-3-4-5-6-7-8-9-10-18-11-12-19(20(18)22)17-21-13-15-23-16-14-21;/h10,19H,2-9,11-17H2,1H3;1H/b18-10+;"	CCCCCCCCC/C=C/1\\CCC(C1=O)CN2CCOCC2.Cl	MCGSOLCMSCYCAE-DYMYMWKRSA-N
DG62149	"N-[(Z)-2-(2,5-dihydroxyphenyl)ethenyl]formamide"	5467316	"cis Erbstatin; 108536-24-9; N-[(Z)-2-(2,5-dihydroxyphenyl)ethenyl]formamide; CHEMBL2001273; NSC650438; (Z)-N-[2-(2,5-Dihydroxyphenyl)ethenyl]-formamide (cis Erbstatin); Formamide, N-((1Z)-2-(2,5-dihydroxyphenyl)ethenyl)-; MLS000756834; Formamide, N-[(1Z)-2-(2,5-dihydroxyphenyl)ethenyl]-; NSC 650438; BDBM50548275; ZINC13115350; NSC-650438; N-[(Z)-2-(2,5-dihydroxyphenyl)vinyl]formamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650438	.	.	.	.	179.17	C9H9NO3	69.6	193	0.8	13	3	3	2	"InChI=1S/C9H9NO3/c11-6-10-4-3-7-5-8(12)1-2-9(7)13/h1-6,12-13H,(H,10,11)/b4-3-"	C1=CC(=C(C=C1O)/C=C\\NC=O)O	SIHZWGODIRRSRA-ARJAWSKDSA-N
DG62150	"(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]isoquinoline-1,3-dione"	5467321	"MLS002701567; NSC650599; SMR001565168; SCHEMBL3566759; CHEMBL1709145; SCHEMBL13343867; BDBM94661; cid_5467321; (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]isoquinoline-1,3-dione; ZINC18118640; NSC-650599; 1, 4-[(3,4-dimethoxyphenyl)methylene]-; (4Z)-4-veratrylideneisoquinoline-1,3-quinone; 1,3-Isoquinolinedione, {4-[(3,4-dimethoxyphenyl)methylene]-}; 4-(3,4-Dimethoxybenzylidene)-1,3(2H,4H)-isoquinolinedione; (4Z)-4-[(3,4-dimethoxyphenyl)methylene]isoquinoline-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650599	.	.	.	.	309.3	C18H15NO4	64.599	501	2.7	23	1	4	3	"InChI=1S/C18H15NO4/c1-22-15-8-7-11(10-16(15)23-2)9-14-12-5-3-4-6-13(12)17(20)19-18(14)21/h3-10H,1-2H3,(H,19,20,21)/b14-9-"	COC1=C(C=C(C=C1)/C=C\\2/C3=CC=CC=C3C(=O)NC2=O)OC	WOSBOVLYMBDENC-ZROIWOOFSA-N
DG62151	Stipiamide	5467322	"Stipiamide; Phenalamide A1; NSC650717; 135383-02-7; Fenalamide A1; Fenalamid A1; (-)-Stipiamide; CHEMBL1970564; NSC-650717; (2E,4E,6Z,8E,10E,14E)-13-hydroxy-N-(2-hydroxy-1-methyl-ethyl)-2,10,12,14,16-pentamethyl-18-phenyl-octadeca-2,4,6,8,10,14-hexaenamide; 2,4,6,8,10,14-Octadecahexaenamide, 13-hydroxy-N-[(1S)-2-hydroxy-1-methylethyl]-2,10,12,14,16-pentamethyl-18-phenyl-,(2E,4E,6Z,8E,10E,12R,13R,14E,16S)-; 2,6,8,10,14-Octadecahexaenamide, 13-hydroxy-N-(2-hydroxy-1-methylethyl)- 2,10,12,14,16-pentamethyl-18-phenyl-, [12R-[1(S*),2E,4E,6Z,8E,10E,12R*,13R*,14E,16S*]]-; 2,6,8,10,14-Octadecahexaenamide, 13-hydroxy-N-[(1S)-2-hydroxy-1-methylethyl]- 2,10,12,14,16-pentamethyl-18-phenyl-,(2E,4E,6Z,8E,10E,12R,13R,14E,16S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650717	.	.	.	.	491.7	C32H45NO3	69.6	824	7.5	36	3	3	14	"InChI=1S/C32H45NO3/c1-24(15-11-8-7-9-12-16-26(3)32(36)33-29(6)23-34)21-27(4)31(35)28(5)22-25(2)19-20-30-17-13-10-14-18-30/h7-18,21-22,25,27,29,31,34-35H,19-20,23H2,1-6H3,(H,33,36)/b8-7-,12-9+,15-11+,24-21+,26-16+,28-22+"	CC(CCC1=CC=CC=C1)/C=C(\\C)/C(C(C)/C=C(\\C)/C=C/C=C\\C=C\\C=C(/C)\\C(=O)NC(C)CO)O	LCADVYTXPLBAGB-AUQKUMLUSA-N
DG62152	"(5E)-5-benzylidene-9-butyl-3-(dimethylaminomethyl)-1,2,3,6,7,8-hexahydroacridin-4-one"	5467330	"NSC650748; CHEMBL1971671; NSC-650748; (5E)-5-benzylidene-9-butyl-3-(dimethylaminomethyl)-1,2,3,6,7,8-hexahydroacridin-4-one; 5-Benzylidene-9-butyl-3-((dimethylamino)methyl)-2,3,5,6,7,8-hexahydro-4(1H)-acridinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650748	.	.	.	.	402.6	C27H34N2O	33.2	606	6	30	0	3	6	"InChI=1S/C27H34N2O/c1-4-5-13-22-23-14-9-12-20(17-19-10-7-6-8-11-19)25(23)28-26-24(22)16-15-21(27(26)30)18-29(2)3/h6-8,10-11,17,21H,4-5,9,12-16,18H2,1-3H3/b20-17+"	CCCCC1=C2CCC/C(=C\\C3=CC=CC=C3)/C2=NC4=C1CCC(C4=O)CN(C)C	FXNOBZXJWIVQAE-LVZFUZTISA-N
DG62153	"(Z)-3,4,5-Trimethoxy-4'-methylthiostilbene"	5467340	"NSC650773; CHEMBL75404; SCHEMBL9189216; ZINC1632294; NSC-650773; (Z)-3,4,5-Trimethoxy-4'-methylthiostilbene; Z-1-(4-Methylthio)-2-(3,5-trimethoxyphenyl)ethene; Z-1-(4-METHYLTHIO-2-(3,5-TRIMETHOXYPHENYL)ETHENE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650773	.	.	.	.	316.4	C18H20O3S	53	325	4.6	22	0	4	6	"InChI=1S/C18H20O3S/c1-19-16-11-14(12-17(20-2)18(16)21-3)6-5-13-7-9-15(22-4)10-8-13/h5-12H,1-4H3/b6-5-"	COC1=CC(=CC(=C1OC)OC)/C=C\\C2=CC=C(C=C2)SC	MBPCWAWSQVINQF-WAYWQWQTSA-N
DG62154	Phenoxan	5467345	"Phenoxan; 134332-63-1; NSC650914; 4H-Pyran-4-one, 3-ethyl-6-methoxy-5-methyl-2-(2-((3E)-3-methyl-4-phenyl-3-butenyl)-4-oxazolyl)-; 4H-Pyran-4-one, 3-ethyl-6-methoxy-5-methyl-2-[2-[(3E)-3-methyl-4-phenyl-3-butenyl]-4-oxazolyl]-; 5-ethyl-2-methoxy-3-methyl-6-(2-((E)-3-methyl-4-phenyl-but-3-enyl)oxazol-4-yl)pyran-4-one; 5-ethyl-2-methoxy-3-methyl-6-[2-[(E)-3-methyl-4-phenyl-but-3-enyl]oxazol-4-yl]pyran-4-one; NSC 650914; CHEMBL2004336; SCHEMBL19717663; ZINC1632364; NSC-650914; 3-Ethyl-6-methoxy-5-methyl-2-(2-((3E)-3-methyl-4-phenyl-3-butenyl)-4-oxazolyl)-4H-pyran-4-one; 4H-Pyran-4-one,3-ethyl-6-methoxy-5-methyl-2-[2-[(3E)-3-methyl-4-phenyl-3-buten-1-yl]-4-oxazolyl]-; 5-ethyl-2-methoxy-3-methyl-6-[2-[(E)-3-methyl-4-phenylbut-3-enyl]-1,3-oxazol-4-yl]pyran-4-one; 4H-Pyran-4-one, 3-ethyl-6-methoxy-5-methyl-2-(2-(3-methyl-4-phenyl-3-butenyl)-4-oxazolyl)-, (E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650914	.	.	.	.	379.4	C23H25NO4	61.6	670	5.1	28	0	5	7	"InChI=1S/C23H25NO4/c1-5-18-21(25)16(3)23(26-4)28-22(18)19-14-27-20(24-19)12-11-15(2)13-17-9-7-6-8-10-17/h6-10,13-14H,5,11-12H2,1-4H3/b15-13+"	CCC1=C(OC(=C(C1=O)C)OC)C2=COC(=N2)CC/C(=C/C3=CC=CC=C3)/C	OFVMLCJEDYAOIB-FYWRMAATSA-N
DG62155	2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)vinyl]thiazol-4-one	5467405	"NSC652047; CHEMBL1986736; NSC-652047; 2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)vinyl]thiazol-4-one; 2-(1-(1H-Benzimidazol-2-yl)-2-(4-methoxyphenyl)vinyl)-1,3-thiazol-4(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652047	.	.	.	.	349.4	C19H15N3O2S	92.6	569	3.6	25	1	4	4	"InChI=1S/C19H15N3O2S/c1-24-13-8-6-12(7-9-13)10-14(19-22-17(23)11-25-19)18-20-15-4-2-3-5-16(15)21-18/h2-10H,11H2,1H3,(H,20,21)/b14-10-"	COC1=CC=C(C=C1)/C=C(/C2=NC3=CC=CC=C3N2)\\C4=NC(=O)CS4	MKLKMCAFEKLPRE-UVTDQMKNSA-N
DG62156	2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)vinyl]thiazol-4-one	5467406	"NSC652048; CHEMBL1984491; NSC-652048; 2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)vinyl]thiazol-4-one; 2-(1-(1H-Benzimidazol-2-yl)-2-(4-chlorophenyl)vinyl)-1,3-thiazol-4(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652048	.	.	.	.	353.8	C18H12ClN3OS	83.4	557	4.3	24	1	3	3	"InChI=1S/C18H12ClN3OS/c19-12-7-5-11(6-8-12)9-13(18-22-16(23)10-24-18)17-20-14-3-1-2-4-15(14)21-17/h1-9H,10H2,(H,20,21)/b13-9-"	C1C(=O)N=C(S1)/C(=C\\C2=CC=C(C=C2)Cl)/C3=NC4=CC=CC=C4N3	YQGHOMAOVPGAMO-LCYFTJDESA-N
DG62157	"3-[(E)-5-(2,5-dihydroxyphenyl)-3-methylpent-3-enyl]-6-hydroxy-2,4-dimethylbenzaldehyde"	5467407	"Panicein B3; NSC652094; CHEMBL485466; SCHEMBL17725823; CHEBI:183068; 51847-82-6; NSC-652094; 3-[(E)-5-(2,5-dihydroxyphenyl)-3-methylpent-3-enyl]-6-hydroxy-2,4-dimethylbenzaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652094	.	.	.	.	340.4	C21H24O4	77.8	461	5.4	25	3	4	6	"InChI=1S/C21H24O4/c1-13(4-6-16-11-17(23)7-9-20(16)24)5-8-18-14(2)10-21(25)19(12-22)15(18)3/h4,7,9-12,23-25H,5-6,8H2,1-3H3/b13-4+"	CC1=CC(=C(C(=C1CC/C(=C/CC2=C(C=CC(=C2)O)O)/C)C)C=O)O	BCYBPYQVUROVFP-YIXHJXPBSA-N
DG62158	Panicein C	5467408	"Panicein C; NSC652095; 51847-83-7; CHEMBL483627; SCHEMBL17725822; CHEBI:183069; NSC-652095; 5-[(E)-5-(2,5-dihydroxyphenyl)-3-methylpent-3-enyl]-2,3-dihydroxy-4,6-dimethylbenzaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652095	.	.	.	.	356.4	C21H24O5	98	491	5	26	4	5	6	"InChI=1S/C21H24O5/c1-12(4-6-15-10-16(23)7-9-19(15)24)5-8-17-13(2)18(11-22)21(26)20(25)14(17)3/h4,7,9-11,23-26H,5-6,8H2,1-3H3/b12-4+"	CC1=C(C(=C(C(=C1C=O)O)O)C)CC/C(=C/CC2=C(C=CC(=C2)O)O)/C	KTKUNEUPWDRROX-UUILKARUSA-N
DG62159	"2-Pyrazolin-5-one, 1-[(2-hydroxyphenyl)carbonyl]-3-methyl-4-[(4-nitrophenyl)methylene]-"	5467414	"NSC652175; CHEMBL110315; BDBM50066297; ZINC100807865; NSC-652175; (4E)-2-(2-hydroxybenzoyl)-5-methyl-4-[(4-nitrophenyl)methylene]pyrazol-3-one; 1-[(2-Hydroxyphenyl)carbonyl]-4-[(4-nitrophenyl)methylene]-3-methyl-2-pyrazolin-5-one; 2-Pyrazolin-5-one, 1-[(2-hydroxyphenyl)carbonyl]- 3-methyl-4-[(4-nitrophenyl)methylene]-; 2-(2-Hydroxy-benzoyl)-5-methyl-4-[1-(4-nitro-phenyl)-meth-(E)-ylidene]-2,4-dihydro-pyrazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652175	.	.	.	.	351.3	C18H13N3O5	116	658	3.3	26	1	6	2	"InChI=1S/C18H13N3O5/c1-11-15(10-12-6-8-13(9-7-12)21(25)26)18(24)20(19-11)17(23)14-4-2-3-5-16(14)22/h2-10,22H,1H3/b15-10+"	CC\\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3O	IETVLFYBRBRYJY-XNTDXEJSSA-N
DG62160	(4E)-2-(2-hydroxybenzoyl)-5-methyl-4-[(3-nitrophenyl)methylene]pyrazol-3-one	5467415	"NSC652176; CHEMBL432207; BDBM50066294; ZINC100807857; NSC-652176; (4E)-2-(2-hydroxybenzoyl)-5-methyl-4-[(3-nitrophenyl)methylene]pyrazol-3-one; 1-[(2-Hydroxyphenyl)carbonyl]-4-[(3-nitrophenyl)methylene]-3-methyl-2-pyrazolin-5-one; 2-(2-Hydroxy-benzoyl)-5-methyl-4-[1-(3-nitro-phenyl)-meth-(E)-ylidene]-2,4-dihydro-pyrazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652176	.	.	.	.	351.3	C18H13N3O5	116	666	3.3	26	1	6	2	"InChI=1S/C18H13N3O5/c1-11-15(10-12-5-4-6-13(9-12)21(25)26)18(24)20(19-11)17(23)14-7-2-3-8-16(14)22/h2-10,22H,1H3/b15-10+"	CC\\1=NN(C(=O)/C1=C/C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3O	HXYGLTUSEVOSIG-XNTDXEJSSA-N
DG62161	(4E)-2-(2-hydroxybenzoyl)-4-[(3-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one	5467417	NSC652178; SCHEMBL13345886; ZINC100807874; NSC-652178; (4E)-2-(2-hydroxybenzoyl)-4-[(3-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one; 1-[(2-Hydroxyphenyl)carbonyl]-4-[(3-hydroxyphenyl)methylene]-3-methyl-2-pyrazolin-5-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652178	.	.	.	.	322.3	C18H14N2O4	90.2	584	3.1	24	2	5	2	"InChI=1S/C18H14N2O4/c1-11-15(10-12-5-4-6-13(21)9-12)18(24)20(19-11)17(23)14-7-2-3-8-16(14)22/h2-10,21-22H,1H3/b15-10+"	CC\\1=NN(C(=O)/C1=C/C2=CC(=CC=C2)O)C(=O)C3=CC=CC=C3O	FDZSCDZXIHCVLD-XNTDXEJSSA-N
DG62162	"(4E)-4-[(3,4-dimethoxyphenyl)methylene]-2-(2-hydroxybenzoyl)-5-methyl-pyrazol-3-one"	5467419	"NSC652180; NSC-652180; SCHEMBL12857461; ZINC5842730; (4E)-4-[(3,4-dimethoxyphenyl)methylene]-2-(2-hydroxybenzoyl)-5-methyl-pyrazol-3-one; 1-[(2-Hydroxyphenyl)carbonyl]-4-[(3,4-dimethoxyphenyl)methylene]-3-methyl-2-pyrazolin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652180	.	.	.	.	366.4	C20H18N2O5	88.4	644	3.4	27	1	6	4	"InChI=1S/C20H18N2O5/c1-12-15(10-13-8-9-17(26-2)18(11-13)27-3)20(25)22(21-12)19(24)14-6-4-5-7-16(14)23/h4-11,23H,1-3H3/b15-10+"	CC\\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OC)OC)C(=O)C3=CC=CC=C3O	MVLPVVYJOQLEQH-XNTDXEJSSA-N
DG62163	"(4E)-2-(2-hydroxybenzoyl)-5-methyl-4-[(3,4,5-trimethoxyphenyl)methylene]pyrazol-3-one"	5467421	"NSC652182; NSC-652182; ZINC5842741; (4E)-2-(2-hydroxybenzoyl)-5-methyl-4-[(3,4,5-trimethoxyphenyl)methylene]pyrazol-3-one; 1-[(2-Hydroxyphenyl)carbonyl]-4-[(3,4,5-trimethoxyphenyl)methylene]-3-methyl-2-pyrazolin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652182	.	.	.	.	396.4	C21H20N2O6	97.7	677	3.4	29	1	7	5	"InChI=1S/C21H20N2O6/c1-12-15(9-13-10-17(27-2)19(29-4)18(11-13)28-3)21(26)23(22-12)20(25)14-7-5-6-8-16(14)24/h5-11,24H,1-4H3/b15-9+"	CC\\1=NN(C(=O)/C1=C/C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC=CC=C3O	DTBDBKHBMOFRPV-OQLLNIDSSA-N
DG62164	(4Z)-5-methyl-4-[(4-nitrophenyl)methylene]-2-(2-phenylacetyl)pyrazol-3-one	5467430	"NSC652195; CHEMBL1966897; ZINC17218454; NSC-652195; (4Z)-5-methyl-4-[(4-nitrophenyl)methylene]-2-(2-phenylacetyl)pyrazol-3-one; 4-(4-(Hydroxy(oxido)amino)benzylidene)-5-methyl-2-(phenylacetyl)-2,4-dihydro-3H-pyrazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652195	.	.	.	.	349.3	C19H15N3O4	95.6	636	3	26	0	5	3	"InChI=1S/C19H15N3O4/c1-13-17(11-15-7-9-16(10-8-15)22(25)26)19(24)21(20-13)18(23)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3/b17-11-"	CC\\1=NN(C(=O)/C1=C\\C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC3=CC=CC=C3	UUPIMSQGFPXGIU-BOPFTXTBSA-N
DG62165	"(5R,6S)-5-phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene-4-carbothioamide"	5467466	NSC652809; CHEMBL1967347; NSC-652809; NCI60_018464	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652809	.	.	.	.	321.4	C19H19N3S	73.7	483	3.7	23	1	2	1	"InChI=1S/C19H19N3S/c20-19(23)22-18(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)17(16)21-22/h1-5,7-9,11,16,18H,6,10,12H2,(H2,20,23)/t16-,18+/m1/s1"	C1C[C@H]2[C@@H](N(N=C2C3=CC=CC=C3C1)C(=S)N)C4=CC=CC=C4	HJBMTSFCVBTNOF-AEFFLSMTSA-N
DG62166	"(3R,3aS)-3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide"	5467468	NSC652816; CHEMBL1991380; NSC-652816; NCI60_018471	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652816	.	.	.	.	313.4	C16H15N3S2	102	464	2.9	21	1	3	1	"InChI=1S/C16H15N3S2/c17-16(20)19-15(13-6-3-9-21-13)12-8-7-10-4-1-2-5-11(10)14(12)18-19/h1-6,9,12,15H,7-8H2,(H2,17,20)/t12-,15-/m1/s1"	C1CC2=CC=CC=C2C3=NN([C@H]([C@@H]31)C4=CC=CS4)C(=S)N	KZLXGYHTRBEPKL-IUODEOHRSA-N
DG62167	"(3R,3aS)-N,3-diphenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide"	5467470	NSC652818; CHEMBL1975776; NSC-652818; NCI60_018473	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652818	.	.	.	.	383.5	C24H21N3S	59.7	591	5.1	28	1	2	2	"InChI=1S/C24H21N3S/c28-24(25-19-12-5-2-6-13-19)27-23(18-10-3-1-4-11-18)21-16-15-17-9-7-8-14-20(17)22(21)26-27/h1-14,21,23H,15-16H2,(H,25,28)/t21-,23+/m1/s1"	C1CC2=CC=CC=C2C3=NN([C@H]([C@@H]31)C4=CC=CC=C4)C(=S)NC5=CC=CC=C5	BWNLLTCTWCABGR-GGAORHGYSA-N
DG62168	"2,6-Bis(3,4-dihydroxybenzylidene)cyclohexanone"	5467476	"CHEMBL129148; 2,6-bis(3,4-dihydroxybenzylidene)cyclohexanone; SCHEMBL14259649; RDS-1158; ZINC5843952; BDBM50067027; NSC652890; NSC-652890; 2,6-Bis-(3,4-dihydroxy-benzylidene)-cyclohexanone; 2,6-Bis((3,4-dihydroxyphenyl)methylene)cyclohexan-1-one; (2E,6E)-2,6-bis[(3,4-dihydroxyphenyl)methylene]cyclohexanone; 2,6-Bis-[1-(3,4-dihydroxy-phenyl)-meth-(E)-ylidene]-cyclohexanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652890	.	.	.	.	338.4	C20H18O5	98	506	3.6	25	4	5	2	"InChI=1S/C20H18O5/c21-16-6-4-12(10-18(16)23)8-14-2-1-3-15(20(14)25)9-13-5-7-17(22)19(24)11-13/h4-11,21-24H,1-3H2/b14-8+,15-9+"	C1C/C(=C\\C2=CC(=C(C=C2)O)O)/C(=O)/C(=C/C3=CC(=C(C=C3)O)O)/C1	JZODVJPLOFJTJZ-VOMDNODZSA-N
DG62169	"4,4'-Dihydroxychalcone"	5467477	"4,4'-Dihydroxychalcone; UNII-CKY3J88Z94; (E)-4,4'-Dihydroxychalcone; CHEMBL145927; CKY3J88Z94; 108997-30-4; 3600-61-1; 2-Propen-1-one,1,3-bis(4-hydroxyphenyl)-; 2-Propen-1-one,1,3-bis(4-hydroxyphenyl)-, (2E)-; 4',4-Dihydroxychalcone; 4,4'-Dihydroxybenzylidene acetophenone; RVC 588 (chalcone); 4,4''-dihydroxychalcone; 4'',4-Dihydroxychalcone; SCHEMBL773588; Trans-4,4'-dihydroxychalcone; 4,4'-Dihydroxychalcone, (E)-; 1,3-bis(4-hydroxyphenyl)propenone; ZINC5843955; BDBM50068224; LMPK12120193; NSC652891; NSC-652891; 1,3-bis(4-hydroxyphenyl)prop-2-en-1-one; (E)-1,3-Bis-(4-hydroxy-phenyl)-propenone; 2-Propen-1-one, 1,3-bis(4-hydroxyphenyl)-; (E)-1,3-bis(4-Hydroxyphenyl)-2-propen-1-one; 1,3-Bis-(4-hydroxy-phenyl)-prop-2-en-1-one; 2-Propen-1-one, 1,3-bis(4-hydroxyphenyl)-, (E)-; Q27275509; 2-Propen-1-one, 1,3-bis(4-hydroxyphenyl)-, (2E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652891	.	.	.	.	240.25	C15H12O3	57.5	295	2.4	18	2	3	3	"InChI=1S/C15H12O3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,16-17H/b10-3+"	C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)O)O	FZQLEXXZAVVCCA-XCVCLJGOSA-N
DG62170	NSC653260	5467485	"(E)-2-cyano-N-[4-[[4-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]cyclohexyl]methyl]cyclohexyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide; NSC653260; CHEMBL147880; HSCI1_000155; NSC-653260; (E)-2-cyano-N-[4-[[4-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]cyclohexyl]methyl]cyclohexyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide; BRD-K89930444-001-01-9; 2-Cyano-N-(4-{4-[(Z)-2-cyano-3-(3,4-dihydroxyphenyl)allanoylamino]cyclohexylmethyl}-cyclohexyl)-3-(3,4-dihydroxyphenyl)acrylamide; N,N'-[Methylenebis(cyclohexane-4,1-diyl)]bis[(E)-2-cyano-3-(3,4-dihydroxyphenyl)acrylamide]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653260	.	.	.	.	584.7	C33H36N4O6	187	1050	6.2	43	6	8	8	"InChI=1S/C33H36N4O6/c34-18-24(14-22-5-11-28(38)30(40)16-22)32(42)36-26-7-1-20(2-8-26)13-21-3-9-27(10-4-21)37-33(43)25(19-35)15-23-6-12-29(39)31(41)17-23/h5-6,11-12,14-17,20-21,26-27,38-41H,1-4,7-10,13H2,(H,36,42)(H,37,43)/b24-14+,25-15+"	C1C(CCC(C1)NC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N)CC3CCC(CC3)NC(=O)/C(=C/C4=CC(=C(C=C4)O)O)/C#N	VEPQEAOWDILSHB-KOJZRSEWSA-N
DG62171	"(E)-N-hydroxy-N-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]octadec-9-enamide"	5467513	NSC654225; CHEMBL1997476; NSC-654225	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654225	.	.	.	.	521.7	C28H47N3O6	119	784	5.9	37	3	6	18	"InChI=1S/C28H47N3O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(33)31(36)23-19-26(37-24(23)21-32)30-20-22(2)27(34)29-28(30)35/h10-11,20,23-24,26,32,36H,3-9,12-19,21H2,1-2H3,(H,29,34,35)/b11-10+"	CCCCCCCC/C=C/CCCCCCCC(=O)N(C1CC(OC1CO)N2C=C(C(=O)NC2=O)C)O	JRMOPFPNLNVTJB-ZHACJKMWSA-N
DG62172	"N-(2,6-Dichlorophenyl)-2-methyl-2-(4-(3-oxo-3-phenyl-1-propenyl)phenoxy)propanamide"	5467517	"NSC654631; CHEMBL1993516; ZINC5846138; NSC-654631; N-(2,6-Dichlorophenyl)-2-methyl-2-(4-(3-oxo-3-phenyl-1-propenyl)phenoxy)propanamide; N-(2,6-dichlorophenyl)-2-methyl-2-[4-[(E)-3-oxo-3-phenyl-prop-1-enyl]phenoxy]propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654631	.	.	.	.	454.3	C25H21Cl2NO3	55.4	627	6.4	31	1	3	7	"InChI=1S/C25H21Cl2NO3/c1-25(2,24(30)28-23-20(26)9-6-10-21(23)27)31-19-14-11-17(12-15-19)13-16-22(29)18-7-4-3-5-8-18/h3-16H,1-2H3,(H,28,30)/b16-13+"	CC(C)(C(=O)NC1=C(C=CC=C1Cl)Cl)OC2=CC=C(C=C2)/C=C/C(=O)C3=CC=CC=C3	FRDZQCMQNOCJBD-DTQAZKPQSA-N
DG62173	1-(2-Chloro-2-(4-methoxyphenyl)vinyl)-4-methoxybenzene	5467547	NSC655402; CHEMBL1991213; SCHEMBL13579994; NSC-655402; 1-(2-Chloro-2-(4-methoxyphenyl)vinyl)-4-methoxybenzene; 1-[(Z)-1-chloro-2-(4-methoxyphenyl)vinyl]-4-methoxy-benzene	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655402	.	.	.	.	274.74	C16H15ClO2	18.5	287	4.6	19	0	2	4	"InChI=1S/C16H15ClO2/c1-18-14-7-3-12(4-8-14)11-16(17)13-5-9-15(19-2)10-6-13/h3-11H,1-2H3/b16-11-"	COC1=CC=C(C=C1)/C=C(/C2=CC=C(C=C2)OC)\\Cl	HRVZOTLFVKDILN-WJDWOHSUSA-N
DG62174	(E)-N-ethyl-7-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]hept-2-en-6-ynamide	5467584	NSC656082; CHEMBL1978914; ZINC1635020; NSC-656082	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656082	.	.	.	.	397.6	C21H19NOS3	114	564	5.4	26	1	4	7	"InChI=1S/C21H19NOS3/c1-2-22-21(23)10-6-4-3-5-8-16-11-12-19(25-16)20-14-13-18(26-20)17-9-7-15-24-17/h6-7,9-15H,2-4H2,1H3,(H,22,23)/b10-6+"	CCNC(=O)/C=C/CCC#CC1=CC=C(S1)C2=CC=C(S2)C3=CC=CS3	MJQKFFOBZMKGQM-UXBLZVDNSA-N
DG62175	"1,3-Dihydroxy-10H-acridin-9-one"	5467589	"1,3-Dihydroxy-10H-acridin-9-one; 20324-10-1; 1,3-dihydroxy-9(10H)-acridinone; 1,3-dihydroxyacridin-9(10H)-one; NSC656163; 9(10H)-Acridinone, 1,3-dihydroxy-; 1,3-Dihydroxy-acridon; SCHEMBL382594; CHEMBL252242; DTXSID00420204; ZINC5594105; MFCD00478188; AKOS015993430; NSC-656163; NCI60_019427; 1,3-DIHYDROXY-9,10-DIHYDROACRIDIN-9-ONE; 7W-0843; SR-01000306876; SR-01000306876-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656163	.	.	.	.	227.21	C13H9NO3	69.6	320	2.8	17	3	4	0	"InChI=1S/C13H9NO3/c15-7-5-10-12(11(16)6-7)13(17)8-3-1-2-4-9(8)14-10/h1-6,15-16H,(H,14,17)"	C1=CC=C2C(=C1)C(=O)C3=C(N2)C=C(C=C3O)O	RWJOWUMRFOUHTR-UHFFFAOYSA-N
DG62176	NSC656901	5467619	"methyl (1R,2S,3R,6R,13S,15R,17S)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-3-[(Z)-4,4,4-trifluoro-3-phenylbut-2-enoyl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate; NSC-656901; NSC656901"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656901	.	.	.	.	636.6	C31H31F3O11	166	1380	2.7	45	3	14	6	"InChI=1S/C31H31F3O11/c1-13-15-9-18-29-12-43-30(27(41)42-3,25(39)21(38)23(29)28(15,2)11-17(35)20(13)37)24(29)22(26(40)44-18)45-19(36)10-16(31(32,33)34)14-7-5-4-6-8-14/h4-8,10,15,18,21-25,37-39H,9,11-12H2,1-3H3/b16-10-/t15 ,18-,21-,22-,23 ,24-,25 ,28+,29-,30+/m1/s1"	CC1=C(C(=O)C[C@]2(C1C[C@@H]3[C@]45C2[C@H](C([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(/C6=CC=CC=C6)\\C(F)(F)F)(OC5)C(=O)OC)O)O)C)O	JLHWUUZAGPHWJG-LYXVRTPVSA-N
DG62177	NSC656902	5467620	"methyl (1R,2S,3R,6R,13S,15R,17S)-3,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-10-[(Z)-4,4,4-trifluoro-3-phenylbut-2-enoyl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate; NSC-656902; NSC656902"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656902	.	.	.	.	636.6	C31H31F3O11	166	1380	2.2	45	3	14	6	"InChI=1S/C31H31F3O11/c1-13-15-9-18-29-12-43-30(27(41)42-3,24(29)21(38)26(40)44-18)25(39)20(37)23(29)28(15,2)11-17(35)22(13)45-19(36)10-16(31(32,33)34)14-7-5-4-6-8-14/h4-8,10,15,18,20-21,23-25,37-39H,9,11-12H2,1-3H3/b16-10-/t15 ,18-,20-,21-,23 ,24-,25 ,28+,29-,30+/m1/s1"	CC1=C(C(=O)C[C@]2(C1C[C@@H]3[C@]45C2[C@H](C([C@]([C@@H]4[C@H](C(=O)O3)O)(OC5)C(=O)OC)O)O)C)OC(=O)/C=C(/C6=CC=CC=C6)\\C(F)(F)F	IQGPVCQYSSOLOZ-DJSJGBTISA-N
DG62178	4'-Chloroaurone	5467625	4'-Chloroaurone; NSC657004; CHEMBL596254; 4'-Chloro-aurone; SCHEMBL19462898; ZINC1635386; BDBM50363411; LMPK12130023; NSC-657004; 2-(4-Chlorobenzylidene)benzofuran-3(2H)-one; (2Z)-2-[(4-chlorophenyl)methylene]benzofuran-3-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657004	.	.	.	.	256.68	C15H9ClO2	26.3	356	4.2	18	0	2	1	InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)18-14/h1-9H/b14-9-	C1=CC=C2C(=C1)C(=O)/C(=C/C3=CC=C(C=C3)Cl)/O2	JIWJNEVCSMZRGO-ZROIWOOFSA-N
DG62179	"(Z)-1,6,7-tribromo-3-(bromomethyl)-7-methyloct-2-ene;(E)-1,6,7-tribromo-3-(bromomethyl)-7-methyloct-2-ene"	5467633	NSC657137; CHEMBL1980199; NSC-657137	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657137	.	.	.	.	911.7	C20H32Br8	0	187	.	28	0	0	12	"InChI=1S/2C10H16Br4/c2*1-10(2,14)9(13)4-3-8(7-12)5-6-11/h2*5,9H,3-4,6-7H2,1-2H3/b8-5+;8-5-"	CC(C)(C(CC/C(=C\\CBr)/CBr)Br)Br.CC(C)(C(CC/C(=C/CBr)/CBr)Br)Br	YGZHIWZFFTYLOA-OJEMXQENSA-N
DG62180	N-[(5E)-5-[(2-hydroxy-5-nitro-phenyl)methylene]-3-methyl-4H-imidazol-2-yl]acetamide	5467667	"NSC657708; CHEMBL2005570; ZINC17221928; NSC-657708; N-[(5E)-5-[(2-hydroxy-5-nitro-phenyl)methylene]-3-methyl-4H-imidazol-2-yl]acetamide; N-(4-(2-Hydroxy-5-(hydroxy(oxido)amino)benzylidene)-1-methyl-4,5-dihydro-1H-imidazol-2-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657708	.	.	.	.	290.27	C13H14N4O4	111	497	0.4	21	2	5	2	"InChI=1S/C13H14N4O4/c1-8(18)14-13-15-10(7-16(13)2)5-9-6-11(17(20)21)3-4-12(9)19/h3-6,19H,7H2,1-2H3,(H,14,15,18)/b10-5+"	CC(=O)NC1=N/C(=C/C2=C(C=CC(=C2)[N+](=O)[O-])O)/CN1C	OVTDIDJXXXQFFO-BJMVGYQFSA-N
DG62181	"Thiazolo[2, 2-[(4-chlorophenyl)methylene]-2,3-dihydro-5-(3-nitrophenyl)-3-oxo-, chloride"	5467668	"NSC657720; CHEMBL1983531; NSC-657720; Thiazolo[2, 2-[(4-chlorophenyl)methylene]- 2,3-dihydro-5-(3-nitrophenyl)-3-oxo-, chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657720	.	.	.	.	437.3	C18H10Cl2N2O3S2	120	604	.	27	0	6	2	InChI=1S/C18H10ClN2O3S2.ClH/c19-13-6-4-11(5-7-13)8-16-17(22)20-15(10-25-18(20)26-16)12-2-1-3-14(9-12)21(23)24;/h1-10H;1H/q+1;/p-1/b16-8-;	C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=[N+]2C(=O)/C(=C/C4=CC=C(C=C4)Cl)/S3.[Cl-]	MNSCCYQVETZSSK-SQIOZQJDSA-M
DG62182	3-(4-Chlorophenyl)-1-(5-chloro-2-thienyl)prop-2-en-1-one	5467680	3-(4-chlorophenyl)-1-(5-chloro-2-thienyl)prop-2-en-1-one; 96583-49-2; NSC657751; (E)-3-(4-chlorophenyl)-1-(5-chlorothiophen-2-yl)prop-2-en-1-one; CHEMBL2004618; 3-Tert-Butyl-4-Hydroxybenzoicacid; ZINC4280768; AKOS001047645; NSC-657751; 3-(4-Chlorophenyl)-1-(5-chloro-2-thienyl)-2-propen-1-one; (E)-3-(4-chlorophenyl)-1-(5-chloro-2-thienyl)prop-2-en-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657751	.	.	.	.	283.2	C13H8Cl2OS	45.3	298	5.3	17	0	2	3	InChI=1S/C13H8Cl2OS/c14-10-4-1-9(2-5-10)3-6-11(16)12-7-8-13(15)17-12/h1-8H/b6-3+	C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(S2)Cl)Cl	NIHJQGCDODCOQA-ZZXKWVIFSA-N
DG62183	NSC657871	5467689	(E)-1-(4-methoxyphenyl)-3-[4-[2-[10-[2-[4-[(E)-3-(4-methoxyphenyl)-3-oxo-prop-1-enyl]phenoxy]ethylsulfanyl]decylsulfanyl]ethoxy]phenyl]prop-2-en-1-one; NSC657871; CHEMBL1979076; ZINC95549339; NSC-657871; (E)-1-(4-methoxyphenyl)-3-[4-[2-[10-[2-[4-[(E)-3-(4-methoxyphenyl)-3-oxo-prop-1-enyl]phenoxy]ethylsulfanyl]decylsulfanyl]ethoxy]phenyl]prop-2-en-1-one; 1-(4-Methoxyphenyl)-3-(4-(2-((10-((2-(4-(3-(4-methoxyphenyl)-3-oxo-1-propenyl)phenoxy)ethyl)thio)decyl)thio)ethoxy)phenyl)-2-propen-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657871	.	.	.	.	767	C46H54O6S2	122	952	11.9	54	0	8	27	"InChI=1S/C46H54O6S2/c1-49-41-25-17-39(18-26-41)45(47)29-15-37-11-21-43(22-12-37)51-31-35-53-33-9-7-5-3-4-6-8-10-34-54-36-32-52-44-23-13-38(14-24-44)16-30-46(48)40-19-27-42(50-2)28-20-40/h11-30H,3-10,31-36H2,1-2H3/b29-15+,30-16+"	COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OCCSCCCCCCCCCCSCCOC3=CC=C(C=C3)/C=C/C(=O)C4=CC=C(C=C4)OC	OUMTYXXUWYLGOM-CMNXJCJSSA-N
DG62184	(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)acetonitrile	5467693	NSC657876; CHEMBL1996673; ZINC5852362; NSC-657876; (4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)acetonitrile; 2-[4-[(E)-3-(4-chlorophenyl)-3-oxo-prop-1-enyl]phenoxy]acetonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657876	.	.	.	.	297.7	C17H12ClNO2	50.1	410	4.1	21	0	3	5	"InChI=1S/C17H12ClNO2/c18-15-6-4-14(5-7-15)17(20)10-3-13-1-8-16(9-2-13)21-12-11-19/h1-10H,12H2/b10-3+"	C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)Cl)OCC#N	IDORDBUWCGDCTR-XCVCLJGOSA-N
DG62185	Gab-geldanamycin	5467747	NSC658514; GAB-GELDANAMYCIN; CHEMBL1987726; NSC-658514; Geldanamycin 4-aminobutyrate hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658514	.	.	.	.	682.2	C33H48ClN3O10	196	1310	.	47	4	11	10	"InChI=1S/C33H47N3O10.ClH/c1-18-14-22-28(39)23(17-24(37)31(22)44-7)36-32(40)19(2)10-8-11-25(42-5)29(46-33(35)41)20(3)16-21(4)30(26(15-18)43-6)45-27(38)12-9-13-34;/h8,10-11,16-18,21,25-26,29-30H,9,12-15,34H2,1-7H3,(H2,35,41)(H,36,40);1H/b11-8-,19-10+,20-16+;"	CC1CC(C(C(/C=C(/C(C(/C=C\\C=C(\\C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)/C)OC)OC(=O)N)\\C)C)OC(=O)CCCN)OC.Cl	OCAQDDOOJYSCSS-QQPNBYHTSA-N
DG62186	NSC658702	5467750	"2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-isopropylidene-4-methyl-cyclohexane; 1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methyl-ethyl]-4-methyl-cyclohexene; NSC658702; CHEMBL1988415; NSC-658702; 2-((3,7-Dimethyl-2,6-octadienyl)oxy)-4-methyl-1-(1-methylethylidene)cyclohexane compound with 1-(1-((3,7-dimethyl-2,6-octadienyl)oxy)-1-methylethyl)-4-methyl-1-cyclohexene (1:1); 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-isopropylidene-4-methyl-cyclohexane; 1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methyl-ethyl]-4-methyl-cyclohexene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658702	.	.	.	.	581	C40H68O2	18.5	809	.	42	0	2	13	"InChI=1S/2C20H34O/c1-16(2)8-7-9-17(3)14-15-21-20(5,6)19-12-10-18(4)11-13-19;1-15(2)8-7-9-17(5)12-13-21-20-14-18(6)10-11-19(20)16(3)4/h8,12,14,18H,7,9-11,13,15H2,1-6H3;8,12,18,20H,7,9-11,13-14H2,1-6H3/b17-14+;17-12+"	CC1CCC(=CC1)C(C)(C)OC/C=C(\\C)/CCC=C(C)C.CC1CCC(=C(C)C)C(C1)OC/C=C(\\C)/CCC=C(C)C	AIKDUJTUBBMUDW-OYGNFUGKSA-N
DG62187	"2-Phenyl-7-methyl-1,8-naphthyridine-4-ol"	5467768	"CHEMBL97549; 67159-08-4; 2-Phenyl-7-methyl-1,8-naphthyridine-4-ol; NSC658867; Neuro_000382; SCHEMBL1536293; SCHEMBL8287309; DTXSID60420205; ZINC6488320; BDBM50090705; NSC-658867; NCI60_020722; 7-methyl-2-phenyl-1,8-naphthyridin-4-ol; 7-Methyl-2-phenyl-[1,8]naphthyridin-4-ol; 7-Methyl-2-phenyl-1,8-naphthyridin-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658867	.	.	.	.	236.27	C15H12N2O	42	358	2.9	18	1	3	1	"InChI=1S/C15H12N2O/c1-10-7-8-12-14(18)9-13(17-15(12)16-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18)"	CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=CC=C3	USYVLFNTOOQIMZ-UHFFFAOYSA-N
DG62188	"7-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4-one"	5467778	"NSC659000; 139449-81-3; CHEMBL1983712; NSC-659000; 7-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4-one; (E)-7-chloro-2-(4-chlorostyryl)-3-(3-methylisoxazol-5-yl)quinazolin-4(3H)-one; 7-Chloro-2-[(E)-2-(4-chlorophenyl)vinyl]-3-(3-methylisoxazol-5-yl)quinazolin-4(3H)-one; 7-chloro-2-[(E)-2-(4-chlorophenyl)vinyl]-3-(3-methylisoxazol-5-yl)quinazolin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659000	.	.	.	.	398.2	C20H13Cl2N3O2	58.7	618	5	27	0	4	3	"InChI=1S/C20H13Cl2N3O2/c1-12-10-19(27-24-12)25-18(9-4-13-2-5-14(21)6-3-13)23-17-11-15(22)7-8-16(17)20(25)26/h2-11H,1H3/b9-4+"	CC1=NOC(=C1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)/C=C/C4=CC=C(C=C4)Cl	JAVHQDGHLLPLMT-RUDMXATFSA-N
DG62189	"3-(3,5-Dibromo-4-methoxyphenyl)-2-(3-pyridinyl)acrylonitrile"	5467796	"NSC659319; CHEMBL295912; ZINC1637063; BDBM50282842; NSC-659319; 3-(3,5-Dibromo-4-methoxyphenyl)-2-(3-pyridinyl)acrylonitrile; (Z)-3-(3,5-Dibromo-4-methoxy-phenyl)-2-pyridin-3-yl-acrylonitrile; (Z)-3-(3,5-dibromo-4-methoxy-phenyl)-2-(3-pyridyl)prop-2-enenitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659319	.	.	.	.	394.06	C15H10Br2N2O	45.9	392	4	20	0	3	3	"InChI=1S/C15H10Br2N2O/c1-20-15-13(16)6-10(7-14(15)17)5-12(8-18)11-3-2-4-19-9-11/h2-7,9H,1H3/b12-5+"	COC1=C(C=C(C=C1Br)/C=C(\\C#N)/C2=CN=CC=C2)Br	ZWJBQAQOHVCMBN-LFYBBSHMSA-N
DG62190	"3-(3,4-Dimethoxyphenyl)-2-(2-pyridinyl)acrylonitrile"	5467797	"NSC659321; SCHEMBL1957074; SCHEMBL1957076; CHEMBL1980526; ZINC12622932; AKOS001059625; NSC-659321; AB00716615-01; SR-01000038830; SR-01000038830-1; 3-(3,4-Dimethoxyphenyl)-2-(2-pyridinyl)acrylonitrile; (Z)-3-(3,4-dimethoxy-phenyl)-2-pyridin-2-yl-acrylonitrile; (Z)-3-(3,4-dimethoxyphenyl)-2-(2-pyridyl)prop-2-enenitrile; (2Z)-3-(3,4-dimethoxyphenyl)-2-(2-pyridinyl)-2-propenenitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659321	.	.	.	.	266.29	C16H14N2O2	55.1	385	2.6	20	0	4	4	"InChI=1S/C16H14N2O2/c1-19-15-7-6-12(10-16(15)20-2)9-13(11-17)14-5-3-4-8-18-14/h3-10H,1-2H3/b13-9+"	COC1=C(C=C(C=C1)/C=C(\\C#N)/C2=CC=CC=N2)OC	QXSRLZYSIFQJJS-UKTHLTGXSA-N
DG62191	"3-(3,5-Dichlorophenyl)-2-(2-pyridinyl)acrylonitrile"	5467799	"NSC659323; CHEMBL1993198; ZINC5594466; NSC-659323; 3-(3,5-Dichlorophenyl)-2-(2-pyridinyl)acrylonitrile; (Z)-3-(3,5-dichlorophenyl)-2-(2-pyridyl)prop-2-enenitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659323	.	.	.	.	275.1	C14H8Cl2N2	36.7	348	3.9	18	0	2	2	InChI=1S/C14H8Cl2N2/c15-12-6-10(7-13(16)8-12)5-11(9-17)14-3-1-2-4-18-14/h1-8H/b11-5+	C1=CC=NC(=C1)/C(=C/C2=CC(=CC(=C2)Cl)Cl)/C#N	BBOIWJQVQAPMRY-VZUCSPMQSA-N
DG62192	"3-(3,5-Dibromo-4-methoxyphenyl)-2-(2-pyridinyl)acrylonitrile"	5467800	"NSC659324; CHEMBL295119; BDBM50282837; ZINC16958417; NSC-659324; 3-(3,5-Dibromo-4-methoxyphenyl)-2-(2-pyridinyl)acrylonitrile; (Z)-3-(3,5-Dibromo-4-methoxy-phenyl)-2-pyridin-2-yl-acrylonitrile; (Z)-3-(3,5-dibromo-4-methoxy-phenyl)-2-(2-pyridyl)prop-2-enenitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659324	.	.	.	.	394.06	C15H10Br2N2O	45.9	392	4	20	0	3	3	"InChI=1S/C15H10Br2N2O/c1-20-15-12(16)7-10(8-13(15)17)6-11(9-18)14-4-2-3-5-19-14/h2-8H,1H3/b11-6+"	COC1=C(C=C(C=C1Br)/C=C(\\C#N)/C2=CC=CC=N2)Br	PLKORTXHPYLYAB-IZZDOVSWSA-N
DG62193	"(E and Z) 1,6-Dibromo-3-bromomethyl-7-chloro-7-methyl-2-octene"	5467856	"NSC659557; CHEMBL1969669; NSC-659557; (E and Z) 1,6-Dibromo-3-bromomethyl-7-chloro-7-methyl-2-octene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659557	.	.	.	.	822.8	C20H32Br6Cl2	0	190	.	28	0	0	12	"InChI=1S/2C10H16Br3Cl/c2*1-10(2,14)9(13)4-3-8(7-12)5-6-11/h2*5,9H,3-4,6-7H2,1-2H3/b8-5+;8-5-"	CC(C)(C(CC/C(=C\\CBr)/CBr)Br)Cl.CC(C)(C(CC/C(=C/CBr)/CBr)Br)Cl	MRPOAJWLGMYAIF-OJEMXQENSA-N
DG62194	"(E and Z) 6-Bromo-3-bromomethyl-1,7-dichloro-7-methyl-2-octene"	5467859	"NSC659558; CHEMBL1974943; NSC-659558; (E and Z) 6-Bromo-3-bromomethyl-1,7-dichloro-7-methyl-2-octene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659558	.	.	.	.	733.9	C20H32Br4Cl4	0	191	.	28	0	0	12	"InChI=1S/2C10H16Br2Cl2/c2*1-10(2,14)9(12)4-3-8(7-11)5-6-13/h2*5,9H,3-4,6-7H2,1-2H3/b8-5+;8-5-"	CC(C)(C(CC/C(=C\\CCl)/CBr)Br)Cl.CC(C)(C(CC/C(=C/CCl)/CBr)Br)Cl	NTAJUKNNPDRPBE-OJEMXQENSA-N
DG62195	Triethyl 2-phosphono-3-(5-hydroxymethyl-2-furyl)acrylate	5467924	NSC660144; Triethyl 2-phosphono-3-(5-hydroxymethyl-2-furyl)acrylate; CHEMBL1994166; NSC-660144; Ethyl 2-(diethoxyphosphoryl)-3-(5-(hydroxymethyl)-2-furyl)acrylate; ethyl (E)-2-diethoxyphosphoryl-3-[5-(hydroxymethyl)-2-furyl]prop-2-enoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660144	.	.	.	.	332.29	C14H21O7P	95.2	425	0.9	22	1	7	10	"InChI=1S/C14H21O7P/c1-4-18-14(16)13(22(17,19-5-2)20-6-3)9-11-7-8-12(10-15)21-11/h7-9,15H,4-6,10H2,1-3H3/b13-9+"	CCOC(=O)/C(=C\\C1=CC=C(O1)CO)/P(=O)(OCC)OCC	LWPOCTRSPMRIIZ-UKTHLTGXSA-N
DG62196	Triethyl 2-phosphono-3-(4-quinoline)acrylate	5467925	NSC660145; Triethyl 2-phosphono-3-(4-quinoline)acrylate; CHEMBL2001469; NSC-660145	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660145	.	.	.	.	363.3	C18H22NO5P	74.7	512	2.9	25	0	6	9	"InChI=1S/C18H22NO5P/c1-4-22-18(20)17(25(21,23-5-2)24-6-3)13-14-11-12-19-16-10-8-7-9-15(14)16/h7-13H,4-6H2,1-3H3/b17-13+"	CCOC(=O)/C(=C\\C1=CC=NC2=CC=CC=C12)/P(=O)(OCC)OCC	PZABUELMIXZEIR-GHRIWEEISA-N
DG62197	Trimethyl 2-phosphono-3-(2-furan)acrylate	5467926	NSC660147; Trimethyl 2-phosphono-3-(2-furan)acrylate; CHEMBL1981411; ZINC1637649; NSC-660147; Methyl 2-(dimethoxyphosphoryl)-3-(2-furyl)acrylate; methyl (E)-2-dimethoxyphosphoryl-3-(2-furyl)prop-2-enoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660147	.	.	.	.	260.18	C10H13O6P	75	343	0.6	17	0	6	6	"InChI=1S/C10H13O6P/c1-13-10(11)9(17(12,14-2)15-3)7-8-5-4-6-16-8/h4-7H,1-3H3/b9-7+"	COC(=O)/C(=C\\C1=CC=CO1)/P(=O)(OC)OC	QAAQMJIHZOHTPF-VQHVLOKHSA-N
DG62198	Diisopropyl 2-phosphono-3-(2-furan)acrylonitrile	5467928	NSC660149; Diisopropyl 2-phosphono-3-(2-furan)acrylonitrile; CHEMBL1987347; ZINC1637651; NSC-660149; Diisopropyl 1-cyano-2-(2-furyl)vinylphosphonate; (E)-2-diisopropoxyphosphoryl-3-(2-furyl)prop-2-enenitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660149	.	.	.	.	283.26	C13H18NO4P	72.5	408	2.1	19	0	5	6	"InChI=1S/C13H18NO4P/c1-10(2)17-19(15,18-11(3)4)13(9-14)8-12-6-5-7-16-12/h5-8,10-11H,1-4H3/b13-8+"	CC(C)OP(=O)(/C(=C/C1=CC=CO1)/C#N)OC(C)C	HDHNSCQFOVIPGX-MDWZMJQESA-N
DG62199	Ethyl 2-cyano-3-(4-quinoline)acrylate	5467937	NSC660159; Ethyl 2-cyano-3-(4-quinoline)acrylate; CHEMBL1978335; ZINC13214889; NSC-660159; Ethyl 2-cyano-3-(4-quinolinyl)acrylate; ethyl (E)-2-cyano-3-(4-quinolyl)prop-2-enoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660159	.	.	.	.	252.27	C15H12N2O2	63	408	2.8	19	0	4	4	"InChI=1S/C15H12N2O2/c1-2-19-15(18)12(10-16)9-11-7-8-17-14-6-4-3-5-13(11)14/h3-9H,2H2,1H3/b12-9+"	CCOC(=O)/C(=C/C1=CC=NC2=CC=CC=C12)/C#N	NHAQXIGAEKRJQM-FMIVXFBMSA-N
DG62200	Diethyl 2-phosphono-3-(4-quinoline)acrylonitrile	5467938	NSC660160; Diethyl 2-phosphono-3-(4-quinoline)acrylonitrile; CHEMBL2002009; ZINC13214989; NSC-660160; Diethyl 1-cyano-2-(4-quinolinyl)vinylphosphonate; (E)-2-diethoxyphosphoryl-3-(4-quinolyl)prop-2-enenitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660160	.	.	.	.	316.29	C16H17N2O3P	72.2	487	2.4	22	0	5	6	"InChI=1S/C16H17N2O3P/c1-3-20-22(19,21-4-2)14(12-17)11-13-9-10-18-16-8-6-5-7-15(13)16/h5-11H,3-4H2,1-2H3/b14-11+"	CCOP(=O)(/C(=C/C1=CC=NC2=CC=CC=C12)/C#N)OCC	YFMPUXFPBBGIPR-SDNWHVSQSA-N
DG62201	1-(2-(Acetyloxy)ethylidene)-4-((4-methoxyphenyl)imino)-2-butenyl acetate	5467952	"NSC660673; CHEMBL1982462; NSC-660673; [(2Z,4E,6E)-3-acetoxy-6-(4-methoxyphenyl)imino-hexa-2,4-dienyl] acetate; 1-(2-(Acetyloxy)ethylidene)-4-((4-methoxyphenyl)imino)-2-butenyl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660673	.	.	.	.	317.34	C17H19NO5	74.2	473	1.9	23	0	6	9	"InChI=1S/C17H19NO5/c1-13(19)22-12-10-17(23-14(2)20)5-4-11-18-15-6-8-16(21-3)9-7-15/h4-11H,12H2,1-3H3/b5-4+,17-10-,18-11 "	CC(=O)OC/C=C(/C=C/C=NC1=CC=C(C=C1)OC)\\OC(=O)C	SRZTZMXBRZXJTQ-MSPRYKTPSA-N
DG62202	1-(2-(Acetyloxy)ethylidene)-4-(4-methoxyanilino)-2-butenyl acetate	5467954	"NSC660675; CHEMBL1990438; NSC-660675; [(2Z,4E)-3-acetoxy-6-(4-methoxyanilino)hexa-2,4-dienyl] acetate; 1-(2-(Acetyloxy)ethylidene)-4-(4-methoxyanilino)-2-butenyl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660675	.	.	.	.	319.4	C17H21NO5	73.9	436	2.3	23	1	6	10	"InChI=1S/C17H21NO5/c1-13(19)22-12-10-17(23-14(2)20)5-4-11-18-15-6-8-16(21-3)9-7-15/h4-10,18H,11-12H2,1-3H3/b5-4+,17-10-"	CC(=O)OC/C=C(/C=C/CNC1=CC=C(C=C1)OC)\\OC(=O)C	GYIBEBAXRUJOPP-DSSQOXSPSA-N
DG62203	(2E)-2-[(4-chlorophenyl)methylidene]-5-[(4-methylanilino)methyl]cyclopentan-1-one	5467971	NSC661231; CHEMBL2002451; NSC-661231	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661231	.	.	.	.	325.8	C20H20ClNO	29.1	431	5.2	23	1	2	4	"InChI=1S/C20H20ClNO/c1-14-2-10-19(11-3-14)22-13-17-7-6-16(20(17)23)12-15-4-8-18(21)9-5-15/h2-5,8-12,17,22H,6-7,13H2,1H3/b16-12+"	CC1=CC=C(C=C1)NCC2CC/C(=C\\C3=CC=C(C=C3)Cl)/C2=O	RZUMYOMXSOOEAD-FOWTUZBSSA-N
DG62204	2-(4-Hydroxybenzylidene)-5-((phenyl-amino)methyl)cyclopentanone	5467972	NSC661232; CHEMBL1999185; NSC-661232; 2-(4-hydroxybenzylidene)-5-((phenyl-amino)methyl)cyclopentanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661232	.	.	.	.	293.4	C19H19NO2	49.3	404	3.8	22	2	3	4	"InChI=1S/C19H19NO2/c21-18-10-6-14(7-11-18)12-15-8-9-16(19(15)22)13-20-17-4-2-1-3-5-17/h1-7,10-12,16,20-21H,8-9,13H2/b15-12+"	C1C/C(=C\\C2=CC=C(C=C2)O)/C(=O)C1CNC3=CC=CC=C3	VBRBKBFKWVQYLK-NTCAYCPXSA-N
DG62205	(5E)-2-[(4-ethoxyanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]cyclopentan-1-one	5467973	NSC661233; CHEMBL2004554; NSC-661233	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661233	.	.	.	.	337.4	C21H23NO3	58.6	460	4.2	25	2	4	6	"InChI=1S/C21H23NO3/c1-2-25-20-11-7-18(8-12-20)22-14-17-6-5-16(21(17)24)13-15-3-9-19(23)10-4-15/h3-4,7-13,17,22-23H,2,5-6,14H2,1H3/b16-13+"	CCOC1=CC=C(C=C1)NCC2CC/C(=C\\C3=CC=C(C=C3)O)/C2=O	RMROIIBHPGJUEB-DTQAZKPQSA-N
DG62206	2-{[(4-Bromophenyl)amino]methyl}-5-(4-methoxybenzylidene)cyclopentanone	5467975	NSC661235; CHEMBL1981943; 2-{[(4-bromophenyl)amino]methyl}-5-(4-methoxybenzylidene)cyclopentanone; NSC-661235	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661235	.	.	.	.	386.3	C20H20BrNO2	38.3	449	4.8	24	1	3	5	"InChI=1S/C20H20BrNO2/c1-24-19-10-2-14(3-11-19)12-15-4-5-16(20(15)23)13-22-18-8-6-17(21)7-9-18/h2-3,6-12,16,22H,4-5,13H2,1H3/b15-12+"	COC1=CC=C(C=C1)/C=C/2\\CCC(C2=O)CNC3=CC=C(C=C3)Br	KEPAOGWDHFGYRH-NTCAYCPXSA-N
DG62207	4-[[(3E)-3-[(4-methoxyphenyl)methylidene]-2-oxocyclopentyl]methylamino]benzenesulfonamide	5467976	NSC661236; CHEMBL1982230; NSC-661236	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661236	.	.	.	.	386.5	C20H22N2O4S	107	639	2.7	27	2	6	6	"InChI=1S/C20H22N2O4S/c1-26-18-8-2-14(3-9-18)12-15-4-5-16(20(15)23)13-22-17-6-10-19(11-7-17)27(21,24)25/h2-3,6-12,16,22H,4-5,13H2,1H3,(H2,21,24,25)/b15-12+"	COC1=CC=C(C=C1)/C=C/2\\CCC(C2=O)CNC3=CC=C(C=C3)S(=O)(=O)N	IPSNMSUXQQGRPK-NTCAYCPXSA-N
DG62208	(5E)-2-(anilinomethyl)-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one	5467978	NSC661238; CHEMBL1983002; NSC-661238	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661238	.	.	.	.	303.4	C21H21NO	29.1	439	4.8	23	1	2	5	"InChI=1S/C21H21NO/c23-21-18(11-7-10-17-8-3-1-4-9-17)14-15-19(21)16-22-20-12-5-2-6-13-20/h1-13,19,22H,14-16H2/b10-7+,18-11+"	C1C/C(=C\\C=C\\C2=CC=CC=C2)/C(=O)C1CNC3=CC=CC=C3	WYQQSIAWIAZYRI-PFMZDYLOSA-N
DG62209	(5E)-2-[(4-bromoanilino)methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one	5467979	NSC661239; CHEMBL1970826; NSC-661239	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661239	.	.	.	.	382.3	C21H20BrNO	29.1	470	5.5	24	1	2	5	"InChI=1S/C21H20BrNO/c22-19-11-13-20(14-12-19)23-15-18-10-9-17(21(18)24)8-4-7-16-5-2-1-3-6-16/h1-8,11-14,18,23H,9-10,15H2/b7-4+,17-8+"	C1C/C(=C\\C=C\\C2=CC=CC=C2)/C(=O)C1CNC3=CC=C(C=C3)Br	AHKPMFYWVJHYCY-AQHRCUNFSA-N
DG62210	"(E)-1-(3,4-dichlorophenyl)-5-(diethylamino)pent-1-en-3-one"	5467985	"NSC661443; CHEMBL542724; NSC-661443; (E)-1-(3,4-dichlorophenyl)-5-(diethylamino)pent-1-en-3-one; 1-Penten-3-one, 1-(3,4-dichlorophenyl)-5-(diethylamino)-, (1E)-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661443	.	.	.	.	336.7	C15H20Cl3NO	20.3	303	.	20	1	2	7	"InChI=1S/C15H19Cl2NO.ClH/c1-3-18(4-2)10-9-13(19)7-5-12-6-8-14(16)15(17)11-12;/h5-8,11H,3-4,9-10H2,1-2H3;1H/b7-5+;"	CCN(CC)CCC(=O)/C=C/C1=CC(=C(C=C1)Cl)Cl.Cl	PDODDOPOKLMMFI-GZOLSCHFSA-N
DG62211	NSC661580	5467999	"[(4E,6Z,10E,12R)-9-carbamoyloxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 2-aminoacetate;hydrochloride; NSC661580; NSC-661580; 2-Azabicyclo[16.3.1]docosa-1(21),6,10,18-pentaene- 3,20,22-trione, 9-[[(amino)carbonyl]oxy]-13-[(glycyl)oxy]- 8,14,19-trimethoxy-4,10,12,16-tetramethyl-, stereoisomer,hydrochloride; Glycine,14,19-trimethoxy- 4,10,12,16-tetramethyl-3,20,22-trioxo- 2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-13-yl ester, stereoisomer, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661580	.	.	.	.	654.1	C31H44ClN3O10	196	1280	.	45	4	11	8	"InChI=1S/C31H43N3O10.ClH/c1-16-11-20-26(37)21(14-22(35)29(20)42-7)34-30(38)17(2)9-8-10-23(40-5)27(44-31(33)39)18(3)13-19(4)28(24(12-16)41-6)43-25(36)15-32;/h8-10,13-14,16,19,23-24,27-28H,11-12,15,32H2,1-7H3,(H2,33,39)(H,34,38);1H/b10-8-,17-9+,18-13+;/t16 ,19-,23 ,24 ,27 ,28 ;/m1./s1"	C[C@@H]1/C=C(/C(C(/C=C\\C=C(\\C(=O)NC2=CC(=O)C(=C(C2=O)CC(CC(C1OC(=O)CN)OC)C)OC)/C)OC)OC(=O)N)\\C.Cl	UFSJDEXOGNZPSC-MOUWKAAGSA-N
DG62212	"Geldanamycin, 12-(3-aminopropionate)-monohydrochloride"	5468001	"NSC661581; NSC-661581; Geldanamycin, 12-(3-aminopropionate)-monohydrochloride; 2-Azabicyclo[16.3.1]docasa-4,10,18,21-pentaene- 3,20,23-trione, 13-(3-aminopropionyloxy)-9,13-dihydroxy- 8,14,19-trimethoxy-4,10,12,16-tetramethyl-, 9-carbamate,monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661581	.	.	.	.	668.2	C32H46ClN3O10	196	1300	.	46	4	11	9	"InChI=1S/C32H45N3O10.ClH/c1-17-13-21-27(38)22(16-23(36)30(21)43-7)35-31(39)18(2)9-8-10-24(41-5)28(45-32(34)40)19(3)15-20(4)29(25(14-17)42-6)44-26(37)11-12-33;/h8-10,15-17,20,24-25,28-29H,11-14,33H2,1-7H3,(H2,34,40)(H,35,39);1H/b10-8-,18-9+,19-15+;/t17 ,20-,24 ,25 ,28 ,29+;/m1./s1"	C[C@@H]1/C=C(/C(C(/C=C\\C=C(\\C(=O)NC2=CC(=O)C(=C(C2=O)CC(CC([C@H]1OC(=O)CCN)OC)C)OC)/C)OC)OC(=O)N)\\C.Cl	YKCIAJUVFDCWAH-AUANKTHDSA-N
DG62213	"[(1E,3E)-4-(benzenesulfonyl)buta-1,3-dienyl]sulfonylbenzene"	5468033	"MLS002702141; NSC662781; SMR001565706; [(1E,3E)-4-(benzenesulfonyl)buta-1,3-dienyl]sulfonylbenzene; CHEMBL1701517; BDBM83276; cid_5468033; NSC-662781; SR-01000879542; [(1E,3E)-4-besylbuta-1,3-dienyl]sulfonylbenzene; Benzene,1'-[(1,3-butadiene-1,4-diyl)sulfonyl]bis; SR-01000879542-2; ((4-(Phenylsulfonyl)-1,3-butadienyl)sulfonyl)benzene; Benzene, {1,1'-[(1,3-butadiene-1,4-diyl)sulfonyl]bis}; [(1E,3E)-4-(phenylsulfonyl)buta-1,3-dienyl]sulfonylbenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662781	.	.	.	.	334.4	C16H14O4S2	85	536	2.7	22	0	4	5	"InChI=1S/C16H14O4S2/c17-21(18,15-9-3-1-4-10-15)13-7-8-14-22(19,20)16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+"	C1=CC=C(C=C1)S(=O)(=O)/C=C/C=C/S(=O)(=O)C2=CC=CC=C2	DEXCOBKOWPYHFL-FNCQTZNRSA-N
DG62214	"[(1E,3E)-4-(benzenesulfonyl)buta-1,3-dienyl]sulfinylbenzene"	5468034	"NSC662784; CHEMBL1969663; [(1E,3E)-4-(benzenesulfonyl)buta-1,3-dienyl]sulfinylbenzene; NSC-662784"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662784	.	.	.	.	318.4	C16H14O3S2	78.8	488	2.7	21	0	4	5	"InChI=1S/C16H14O3S2/c17-20(15-9-3-1-4-10-15)13-7-8-14-21(18,19)16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+"	C1=CC=C(C=C1)S(=O)/C=C/C=C/S(=O)(=O)C2=CC=CC=C2	MMGHXXHLNDNLNB-FNCQTZNRSA-N
DG62215	"6,7-Dimethyl-2-octenyl acetate"	5468040	"NSC662816; CHEMBL1979555; 6,7-dimethyl-2-octenyl acetate; NSC-662816"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662816	.	.	.	.	356.09	C12H20Br2O2	26.3	260	4.1	16	0	2	7	"InChI=1S/C12H20Br2O2/c1-9(7-8-16-10(2)15)5-6-11(13)12(3,4)14/h7,11H,5-6,8H2,1-4H3/b9-7+"	C/C(=C\\COC(=O)C)/CCC(C(C)(C)Br)Br	JLQMVQMYEIHAPP-VQHVLOKHSA-N
DG62216	CID 5468049	5468049	3-AP; 143621-35-6; NSC663249; PAN-811; 2-((3-Aminopyridin-2-yl)methylene)hydrazinecarbothioamide; OCX191; 2-[(3-Amino-2-pyridinyl)methylene]hydrazinecarbothioamide; CHEMBL4474864; AOB1759; BCP09355; BCP09945; BCP14673; ZINC6092213; AKOS025401099; C72706; Q4634115; [(Z)-(3-Aminopyridin-2-yl)methylideneamino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663249	.	.	.	.	195.25	C7H9N5S	121	205	-0.2	13	3	4	2	"InChI=1S/C7H9N5S/c8-5-2-1-3-10-6(5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4-"	C1=CC(=C(N=C1)/C=N\\NC(=S)N)N	XMYKNCNAZKMVQN-WCIBSUBMSA-N
DG62217	"Ethyl (E)-6-Acetyloxy-5,5-methyl-2-hexenoate"	5468052	"NSC663309; Ethyl (E)-6-Acetyloxy-5,5-methyl-2-hexenoate; CHEMBL1979268; NSC-663309; Ethyl 6-(acetyloxy)-5,5-dimethyl-2-hexenoate; ethyl (E)-6-acetoxy-5,5-dimethyl-hex-2-enoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663309	.	.	.	.	228.28	C12H20O4	52.6	266	2.3	16	0	4	8	"InChI=1S/C12H20O4/c1-5-15-11(14)7-6-8-12(3,4)9-16-10(2)13/h6-7H,5,8-9H2,1-4H3/b7-6+"	CCOC(=O)/C=C/CC(C)(C)COC(=O)C	NUYQETDDWDLSRQ-VOTSOKGWSA-N
DG62218	"9-chloro-6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one"	5468057	NSC663408; CHEMBL1991052; ZINC5762816; NSC-663408; NCI60_021781	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663408	.	.	.	.	327.8	C18H14ClNO3	58.6	534	4.7	23	2	4	0	"InChI=1S/C18H14ClNO3/c1-18(2)6-5-10-14(23-18)8-13(21)15-16(10)20-12-4-3-9(19)7-11(12)17(15)22/h3-8,21H,1-2H3,(H,20,22)"	CC1(C=CC2=C(O1)C=C(C3=C2NC4=C(C3=O)C=C(C=C4)Cl)O)C	DODZZNFJJYOJMN-UHFFFAOYSA-N
DG62219	3-[(E)-2-nitrovinyl]-1-[8-[3-[(E)-2-nitrovinyl]indol-1-yl]octyl]indole	5468067	"NSC663664; CHEMBL1984186; ZINC5741532; NSC-663664; 1H-Indole, 1,1'-(1,8-octanediyl)bis[3-[(E)-2-nitroethenyl]-; 3-[(E)-2-nitrovinyl]-1-[8-[3-[(E)-2-nitrovinyl]indol-1-yl]octyl]indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663664	.	.	.	.	486.6	C28H30N4O4	102	713	6.7	36	0	4	11	"InChI=1S/C28H30N4O4/c33-31(34)19-15-23-21-29(27-13-7-5-11-25(23)27)17-9-3-1-2-4-10-18-30-22-24(16-20-32(35)36)26-12-6-8-14-28(26)30/h5-8,11-16,19-22H,1-4,9-10,17-18H2/b19-15+,20-16+"	C1=CC=C2N(C=C(C2=C1)/C=C/[N+](=O)[O-])CCCCCCCCN3C4=CC=CC=C4C(=C3)/C=C/[N+](=O)[O-]	AOHDCEYPGMZIKQ-MXWIWYRXSA-N
DG62220	"(3Z)-3-[(3,4-dimethoxyphenyl)methylene]-1,5-diphenyl-pyrrolidine-2,4-dione"	5468074	"NSC663782; CHEMBL2003576; NSC-663782; (3Z)-3-[(3,4-dimethoxyphenyl)methylene]-1,5-diphenyl-pyrrolidine-2,4-dione; 2,4-Pyrrolidinedione, 3-[(3,4-dimethoxyphenyl)methylene]-1,5-diphenyl-, (3Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663782	.	.	.	.	399.4	C25H21NO4	55.8	648	4.8	30	0	4	5	"InChI=1S/C25H21NO4/c1-29-21-14-13-17(16-22(21)30-2)15-20-24(27)23(18-9-5-3-6-10-18)26(25(20)28)19-11-7-4-8-12-19/h3-16,23H,1-2H3/b20-15-"	COC1=C(C=C(C=C1)/C=C\\2/C(=O)C(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC	ASAGPBWLSSJBSS-HKWRFOASSA-N
DG62221	Mitorubrinic acid	5468104	"Mitorubrinic acid; UNII-6WSO5HRQ3O; 6WSO5HRQ3O; (-)-Mitorubrinic acid; Mitorubinic acid; NSC664212; 58958-07-9; (R)-mitorubrinic acid; Mitorubrinic acid, (R)-; Mitorubrinic acid, (-)-; CHEMBL2003263; AT25352; NSC-664212; W-203211; Q27896488; UNII-RG5P6FYE53 component ZJIWQCFXEQSFGR-YEFOHOTDSA-N; (R,E)-3-(7-((2,4-DIHYDROXY-6-METHYLBENZOYL)OXY)-7-METHYL-6,8-DIOXO-7,8-DIHYDRO-6H-ISOCHROMEN-3-YL)ACRYLIC ACID; 34695-99-3; Benzoic acid, 2,4-dihydroxy-6-methyl-, (7R)-3-((1E)-2-carboxyethenyl)-7,8-dihydro-7-methyl-6,8-dioxo-6H-2-benzopyran-7-yl ester; Benzoic acid, 2,4-dihydroxy-6-methyl-, 3-(2-carboxyethenyl)-7,8-dihydro-7-methyl-6,8-dioxo-6H-2-benzopyran-7-yl ester, (R-(E))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664212	.	.	.	.	412.3	C21H16O9	147	923	2.2	30	3	9	5	"InChI=1S/C21H16O9/c1-10-5-12(22)8-15(23)18(10)20(28)30-21(2)16(24)7-11-6-13(3-4-17(25)26)29-9-14(11)19(21)27/h3-9,22-23H,1-2H3,(H,25,26)/b4-3+/t21-/m1/s1"	CC1=CC(=CC(=C1C(=O)O[C@@]2(C(=O)C=C3C=C(OC=C3C2=O)/C=C/C(=O)O)C)O)O	ZJIWQCFXEQSFGR-YEFOHOTDSA-N
DG62222	"(6aS,13aS)-6a,8-dimethyl-7,8,13,13a-tetrahydro-5H-quinolino[4,3-b][1]benzazepine-6-thione"	5468128	NSC664571; CHEMBL1976544; NSC-664571; NCI60_022264	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664571	.	.	.	.	308.4	C19H20N2S	56.2	451	4	22	2	2	0	"InChI=1S/C19H20N2S/c1-12-11-19(2)17(20-15-9-5-3-7-13(12)15)14-8-4-6-10-16(14)21-18(19)22/h3-10,12,17,20H,11H2,1-2H3,(H,21,22)/t12 ,17-,19-/m0/s1"	CC1C[C@]2([C@H](C3=CC=CC=C3NC2=S)NC4=CC=CC=C14)C	GIOXOKCOEIYGEN-AYCODJOZSA-N
DG62223	"(E)-3,4-Dihydro-2-((4-hydroxyphenyl)methylene)-1(2H)-naphthalenone"	5468147	"NSC665348; (E)-3,4-Dihydro-2-((4-hydroxyphenyl)methylene)-1(2H)-naphthalenone; 124996-02-7; (2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one; CHEMBL1965529; SCHEMBL21169395; 1(2H)-Naphthalenone, 3,4-dihydro-2-((4-hydroxyphenyl)methylene)-, (E)-; NSC-665348; 2-(4-Hydroxybenzylidene)tetralin-1-one; (e)-2-(4'-hydroxybenzylidene)-1-tetralone; 2-[(E)-4-Hydroxybenzylidene]tetralin-1-one; (2E)-2-[(4-hydroxyphenyl)methylene]tetralin-1-one; 2-(4-Hydroxybenzylidene)-3,4-dihydro-1(2H)-naphthalenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665348	.	.	.	.	250.29	C17H14O2	37.3	364	3.7	19	1	2	1	"InChI=1S/C17H14O2/c18-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)17(14)19/h1-6,9-11,18H,7-8H2/b14-11+"	C1C/C(=C\\C2=CC=C(C=C2)O)/C(=O)C3=CC=CC=C31	SRJMKMQJTLCMRQ-SDNWHVSQSA-N
DG62224	5-Methoxy-2-(1-naphthylmethylene)-1-indanone	5468151	NSC665378; CHEMBL1986272; ZINC5941899; NSC-665378; 5-Methoxy-2-(1-naphthylmethylene)-1-indanone; (2E)-5-methoxy-2-(1-naphthylmethylene)indan-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665378	.	.	.	.	300.3	C21H16O2	26.3	480	5	23	0	2	2	"InChI=1S/C21H16O2/c1-23-18-9-10-20-16(13-18)12-17(21(20)22)11-15-7-4-6-14-5-2-3-8-19(14)15/h2-11,13H,12H2,1H3/b17-11+"	COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=CC4=CC=CC=C43)/C2	VGOXKPBJKXWXJS-GZTJUZNOSA-N
DG62225	Ubistatin A	5468154	"Ubistatin A; UNII-S2SS9GB3XE; S2SS9GB3XE; CHEMBL1092086; NSC-665534; NCGC00185782-01; 759437-26-8; NSC665534; Amidoquinobene; 5-Quinolinesulfonic acid, 7,7'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)iminocarbonyl))bis(8-hydroxy-; 5-Quinolinesulfonic acid, 7,7'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)iminocarbonyl]]bis[8-hydroxy-; NSC657941; 182186-21-6; Probes1_000350; Probes2_000490; DSSTox_CID_28689; DSSTox_RID_82959; DSSTox_GSID_48763; DTXSID0048763; Tox21_113228; BDBM50316072; NSC657940; ZINC169332505; CAS-759437-26-8; 4,4'-Di(8-hydroxy-5-sulfo-7-quinolinecarboxyamido)stilbene-2,2'-disulfonic acid; 1053056-95-3; 5-quinolinesulfonic acid, 7,7'-[(E)-1,2-ethenediylbis[(3-sulfo-4,1-phenylene)iminocarbonyl]]bis[8-hydroxy-; 7,7''-(4,4''-(ethene-1,2-diyl)bis(3-sulfo-4,1-phenylene))bis(azanediyl)bis(oxomethylene)bis(8-hydroxyquinoline-5-sulfonic acid); 7,7'-(1,2-Ethenediylbis((3-sulfo-4,1-phenylene)iminocarbonyl))bis(8-hydroxy-5-quinolinesulfonic acid); 8-hydroxy-7-[[4-[(E)-2-[4-[(8-hydroxy-5-sulfo-quinoline-7-carbonyl)amino]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]carbamoyl]quinoline-5-sulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665534	.	.	.	.	872.8	C34H24N4O16S4	375	1850	1.8	58	8	18	10	"InChI=1S/C34H24N4O16S4/c39-31-23(15-27(57(49,50)51)21-3-1-11-35-29(21)31)33(41)37-19-9-7-17(25(13-19)55(43,44)45)5-6-18-8-10-20(14-26(18)56(46,47)48)38-34(42)24-16-28(58(52,53)54)22-4-2-12-36-30(22)32(24)40/h1-16,39-40H,(H,37,41)(H,38,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b6-5+"	C1=CC2=C(C=C(C(=C2N=C1)O)C(=O)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC(=O)C5=CC(=C6C=CC=NC6=C5O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	NNHYHQPZMITHQP-AATRIKPKSA-N
DG62226	NSC665626	5468156	"(E)-3-(3,4-dichlorophenyl)-1-[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-ethyl-4-hydroxy-1-methylpiperidin-1-ium-3-yl]prop-2-en-1-one;bromide; NSC665626; CHEMBL1971526; NSC-665626"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665626	.	.	.	.	594.2	C25H26BrCl4NO2	37.3	716	.	33	1	3	6	"InChI=1S/C25H26Cl4NO2.BrH/c1-3-30(2)13-12-25(32,11-10-18-5-8-21(27)23(29)15-18)19(16-30)24(31)9-6-17-4-7-20(26)22(28)14-17;/h4-11,14-15,19,32H,3,12-13,16H2,1-2H3;1H/q+1;/p-1/b9-6+,11-10+;"	CC[N+]1(CCC(C(C1)C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl)(/C=C/C3=CC(=C(C=C3)Cl)Cl)O)C.[Br-]	WBIIKTDOICRQJB-PQPHWNMUSA-M
DG62227	"4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]benzonitrile"	5468164	"NSC665692; SCHEMBL9448624; CHEMBL1987904; 4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]benzonitrile; NSC-665692; 4-(3-(3,4-Dihydroxyphenyl)acryloyl)benzonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665692	.	.	.	.	265.26	C16H11NO3	81.3	415	3.2	20	2	4	3	"InChI=1S/C16H11NO3/c17-10-12-1-5-13(6-2-12)14(18)7-3-11-4-8-15(19)16(20)9-11/h1-9,19-20H/b7-3+"	C1=CC(=CC=C1C#N)C(=O)/C=C/C2=CC(=C(C=C2)O)O	XSMHUOPJTRSUAE-XVNBXDOJSA-N
DG62228	(E)-3-(4-dimethylaminophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one	5468166	"MLS002702167; NSC665694; SMR001385694; (E)-3-(4-(dimethylamino)phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one; (E)-3-[4-(dimethylamino)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one; CHEMBL137913; SCHEMBL3045501; SCHEMBL3045509; BDBM83277; cid_5468166; ZINC5549589; (E)-3-(4-dimethylaminophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one; 4'-Hydroxy-4-(dimethylamino)chalcone; NSC-665694; 3-(4-(Dimethylamino)phenyl)-1-(4-hydroxyphenyl)-2-propen-1-one; (E)-3-[4-(dimethylamino)phenyl]-1-(4-hydroxyphenyl)-2-propen-1-one; (E)-3-[4-(Dimethylamino)phenyl]-1-(4-hydroxyphenyl)-2-propene-1-one; 2-Propen-1-one, 1-(4-hydroxyphenyl)- 3-[4-(dimethylamino)phenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665694	.	.	.	.	267.32	C17H17NO2	40.5	335	2.8	20	1	3	4	"InChI=1S/C17H17NO2/c1-18(2)15-8-3-13(4-9-15)5-12-17(20)14-6-10-16(19)11-7-14/h3-12,19H,1-2H3/b12-5+"	CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)O	BJWJZTDHDARRCW-LFYBBSHMSA-N
DG62229	"3-(3,4-Dihydroxyphenyl)-1-(3,5-dihydroxyphenyl)prop-2-en-1-one"	5468169	"NSC665697; CHEMBL1966973; ZINC4099901; (E)-3-(3,4-dihydroxyphenyl)-1-(3,5-dihydroxyphenyl)prop-2-en-1-one; 3-(3,4-dihydroxyphenyl)-1-(3,5-dihydroxyphenyl)prop-2-en-1-one; BDBM50140246; NSC-665697; AN-308/25123036; 3-(3,4-Dihydroxyphenyl)-1-(3,5-dihydroxyphenyl)-2-propen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665697	.	.	.	.	272.25	C15H12O5	98	357	2.7	20	4	5	3	"InChI=1S/C15H12O5/c16-11-6-10(7-12(17)8-11)13(18)3-1-9-2-4-14(19)15(20)5-9/h1-8,16-17,19-20H/b3-1+"	C1=CC(=C(C=C1/C=C/C(=O)C2=CC(=CC(=C2)O)O)O)O	IMJNGPIIYAZDIH-HNQUOIGGSA-N
DG62230	Cbz-DL-Ala-Leu-Pro-N(Me)Tyr(Me)-Ala-NH2	5468180	NSC665808; NSC-665808; NCI60_022790	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665808	.	.	.	.	694.8	C36H50N6O8	190	1170	3.1	50	4	8	17	"InChI=1S/C36H50N6O8/c1-22(2)19-28(40-32(44)24(4)39-36(48)50-21-26-11-8-7-9-12-26)34(46)42-18-10-13-29(42)35(47)41(5)30(33(45)38-23(3)31(37)43)20-25-14-16-27(49-6)17-15-25/h7-9,11-12,14-17,22-24,28-30H,10,13,18-21H2,1-6H3,(H2,37,43)(H,38,45)(H,39,48)(H,40,44)/t23-,24 ,28-,29-,30-/m0/s1"	C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)OC)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)C(C)NC(=O)OCC3=CC=CC=C3	KQDRVWGEFGCBTG-PRLJYKPRSA-N
DG62231	"(3E,5E)-1-methyl-3,5-bis[(2-nitrophenyl)methylene]piperidin-4-one"	5468196	"NSC666038; CHEMBL2001740; NSC-666038; Piperidinone,5-bis[(2-nitrophenyl) methylene]-, hydrochloride; (3E,5E)-1-methyl-3,5-bis[(2-nitrophenyl)methylene]piperidin-4-one; Piperidinone, 1-methyl-3,5-bis[(2-nitrophenyl) methylene]-,hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666038	.	.	.	.	415.8	C20H18ClN3O5	112	635	.	29	1	6	2	"InChI=1S/C20H17N3O5.ClH/c1-21-12-16(10-14-6-2-4-8-18(14)22(25)26)20(24)17(13-21)11-15-7-3-5-9-19(15)23(27)28;/h2-11H,12-13H2,1H3;1H/b16-10+,17-11+;"	CN1C/C(=C\\C2=CC=CC=C2[N+](=O)[O-])/C(=O)/C(=C/C3=CC=CC=C3[N+](=O)[O-])/C1.Cl	GGNXSOIQEKGRDP-UUHMWQSOSA-N
DG62232	"4-Piperidinone,6-bis[(2-nitrophenyl)methylene]-"	5468197	"NSC673650; MLS002702260; CHEMBL1974940; ZINC31860733; NSC-673650; 4-Piperidinone,6-bis[(2-nitrophenyl)methylene]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673650	.	.	.	.	379.4	C20H17N3O5	112	635	3.3	28	0	6	2	"InChI=1S/C20H17N3O5/c1-21-12-16(10-14-6-2-4-8-18(14)22(25)26)20(24)17(13-21)11-15-7-3-5-9-19(15)23(27)28/h2-11H,12-13H2,1H3/b16-10+,17-11+"	CN1C/C(=C\\C2=CC=CC=C2[N+](=O)[O-])/C(=O)/C(=C/C3=CC=CC=C3[N+](=O)[O-])/C1	BHUSMMHAJOOVIE-OTYYAQKOSA-N
DG62233	ethyl 2-ethoxycarbonyloxy-3-[(Z)-1-ethoxycarbonyloxy-2-(4-methoxyphenyl)vinyl]indole-1-carboxylate	5468209	NSC666117; CHEMBL1975550; ZINC5954907; NSC-666117; 2-[(Ethoxycarbonyl)oxy]-3-[1-[(ethoxycarbonyl)oxy]-2-(4-methoxyphenyl)ethenyl]-1H-indole-1-carboxylic acid ethyl ester; Ethyl 2-((ethoxycarbonyl)oxy)-3-(1-((ethoxycarbonyl)oxy)-2-(4-methoxyphenyl)vinyl)-1H-indole-1-carboxylate; ethyl 2-ethoxycarbonyloxy-3-[(Z)-1-ethoxycarbonyloxy-2-(4-methoxyphenyl)vinyl]indole-1-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666117	.	.	.	.	497.5	C26H27NO9	112	777	6.1	36	0	9	13	"InChI=1S/C26H27NO9/c1-5-32-24(28)27-20-11-9-8-10-19(20)22(23(27)36-26(30)34-7-3)21(35-25(29)33-6-2)16-17-12-14-18(31-4)15-13-17/h8-16H,5-7H2,1-4H3/b21-16-"	CCOC(=O)N1C2=CC=CC=C2C(=C1OC(=O)OCC)/C(=C/C3=CC=C(C=C3)OC)/OC(=O)OCC	MWLIAWYPZMNZEM-PGMHBOJBSA-N
DG62234	(1E)-1-(3-methylsulfanylpropylsulfanyl)cyclododecene	5468236	NSC666407; (1E)-1-(3-methylsulfanylpropylsulfanyl)cyclododecene; CHEMBL1986126; NSC-666407; 1-((3-(Methylthio)propyl)thio)-1-cyclododecene	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666407	.	.	.	.	286.5	C16H30S2	50.6	211	6.8	18	0	2	5	"InChI=1S/C16H30S2/c1-17-14-11-15-18-16-12-9-7-5-3-2-4-6-8-10-13-16/h12H,2-11,13-15H2,1H3/b16-12+"	CSCCCS/C/1=C/CCCCCCCCCC1	LBZHNGTYOBITGJ-FOWTUZBSSA-N
DG62235	"(E)-1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one"	5468260	"NSC666763; CHEMBL2000969; (E)-1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one; NSC-666763; 1-(1,3-Benzodioxol-5-yl)-3-(4-hydroxyphenyl)-2-propen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666763	.	.	.	.	268.26	C16H12O4	55.8	371	3.1	20	1	4	3	"InChI=1S/C16H12O4/c17-13-5-1-11(2-6-13)3-7-14(18)12-4-8-15-16(9-12)20-10-19-15/h1-9,17H,10H2/b7-3+"	C1OC2=C(O1)C=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)O	ZPMFJDRYWAXBPS-XVNBXDOJSA-N
DG62236	"4-(3-(4-((2,2-Dimethylpropanoyl)oxy)phenyl)acryloyl)phenyl pivalate"	5468262	"NSC666765; CHEMBL1982150; NSC-666765; 4-(3-(4-((2,2-Dimethylpropanoyl)oxy)phenyl)acryloyl)phenyl pivalate; [4-[(E)-3-[4-(2,2-dimethylpropanoyloxy)phenyl]-3-oxo-prop-1-enyl]phenyl] 2,2-dimethylpropanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666765	.	.	.	.	408.5	C25H28O5	69.7	633	6	30	0	5	9	"InChI=1S/C25H28O5/c1-24(2,3)22(27)29-19-12-7-17(8-13-19)9-16-21(26)18-10-14-20(15-11-18)30-23(28)25(4,5)6/h7-16H,1-6H3/b16-9+"	CC(C)(C)C(=O)OC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)OC(=O)C(C)(C)C	KONHQEPVIJRSJM-CXUHLZMHSA-N
DG62237	"2,5-Bis(3,4-dihydroxybenzylidene)cyclopentanone"	5468263	"NSC666767; CHEMBL276080; 2,5-bis(3,4-dihydroxybenzylidene)cyclopentanone; ZINC5955759; BDBM50067037; NSC-666767; 2,5-Bis-(3,4-dihydroxy-benzylidene)-cyclopentanone; 2,5-Bis((3,4-dihydroxyphenyl)methylene)cyclopentan-1-one; (2E,5E)-2,5-bis[(3,4-dihydroxyphenyl)methylene]cyclopentanone; 2,5-Bis-[1-(3,4-dihydroxy-phenyl)-meth-(E)-ylidene]-cyclopentanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666767	.	.	.	.	324.3	C19H16O5	98	492	3.1	24	4	5	2	"InChI=1S/C19H16O5/c20-15-5-1-11(9-17(15)22)7-13-3-4-14(19(13)24)8-12-2-6-16(21)18(23)10-12/h1-2,5-10,20-23H,3-4H2/b13-7+,14-8+"	C1/C(=C\\C2=CC(=C(C=C2)O)O)/C(=O)/C(=C/C3=CC(=C(C=C3)O)O)/C1	MJDXEGMXLDBXSV-FNCQTZNRSA-N
DG62238	2-Propenyl estradiol	5468270	CHEMBL1627439; 2-propenyl estradiol; NSC667047; SCHEMBL7704954; BDBM50369010; NSC-667047; 2-[(E)-1-Propenyl]-17beta-estradiol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667047	.	.	.	.	312.4	C21H28O2	40.5	473	5	23	2	2	1	"InChI=1S/C21H28O2/c1-3-4-14-11-17-13(12-19(14)22)5-6-16-15(17)9-10-21(2)18(16)7-8-20(21)23/h3-4,11-12,15-16,18,20,22-23H,5-10H2,1-2H3/b4-3+/t15-,16+,18-,20-,21-/m0/s1"	C/C=C/C1=C(C=C2CC[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4O)C)O	ZRVQFPQIVGUHNL-POAGYTCXSA-N
DG62239	"3-(1,3-Benzodioxol-5-yl)-1-(4-hydroxyphenyl)-2-propen-1-one"	5468276	"19152-39-7; 3-(1,3-Benzodioxol-5-yl)-1-(4-hydroxyphenyl)-2-propen-1-one; NSC667227; 3-(Benzo[d][1,3]dioxol-5-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one; 4'-Hydroxy-3,4-methylenedioxychalcone; (E)-3-(benzo[d][1,3]dioxol-5-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one; (E)-3-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one; 4-HYDROXY-3,4-METHYLENEDIOXYCHALCONE; SCHEMBL3440510; CHEMBL1967803; JS-084C; 6450AD; MFCD00076038; ZINC12338418; (2E)-3-(2H-1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one; AKOS016340185; NSC-667227; W1416; J-501934; 2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667227	.	.	.	.	268.26	C16H12O4	55.8	371	3.5	20	1	4	3	"InChI=1S/C16H12O4/c17-13-5-3-12(4-6-13)14(18)7-1-11-2-8-15-16(9-11)20-10-19-15/h1-9,17H,10H2/b7-1+"	C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)O	AZEHEBLLFINCCX-LREOWRDNSA-N
DG62240	"(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-ol"	5468277	"NSC667276; (6Z)-1-thiacyclodec-6-en-3,8-diyn-5-ol; 3,4,8,9-Tetradehydro-5,10-dihydro-2H-thiecin-5-ol; CHEMBL1984953; NSC-667276; (5Z)-1-Thia-5-cyclodecene-3,8-diyn-7-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667276	.	.	.	.	164.23	C9H8OS	45.5	278	1.1	11	1	2	0	"InChI=1S/C9H8OS/c10-9-5-2-1-3-7-11-8-4-6-9/h2,5,9-10H,7-8H2/b5-2-"	C1C#C/C=C\\C(C#CCS1)O	GKHKXMZLELCPJA-DJWKRKHSSA-N
DG62241	"[(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-yl] quinoxaline-2-carboxylate"	5468278	"NSC667277; CHEMBL2006978; [(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-yl] quinoxaline-2-carboxylate; NSC-667277; 3,4,8,9-Tetradehydro-5,10-dihydro-2H-thiecin-5-yl 2-quinoxalinecarboxylate; Quinoxaline-2-carboxylic acid [(5Z)-1-thia-5-cyclodecene-3,8-diyn-7-yl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667277	.	.	.	.	320.4	C18H12N2O2S	77.4	604	3.5	23	0	5	3	"InChI=1S/C18H12N2O2S/c21-18(17-13-19-15-9-3-4-10-16(15)20-17)22-14-7-2-1-5-11-23-12-6-8-14/h2-4,7,9-10,13-14H,11-12H2/b7-2-"	C1C#C/C=C\\C(C#CCS1)OC(=O)C2=NC3=CC=CC=C3N=C2	OIIBRQOUIVXAIM-UQCOIBPSSA-N
DG62242	"(5Z)-3-(dimethylamino)-5-[(4-nitrophenyl)methylene]thiazolidine-2,4-dione"	5468282	"NSC667510; CHEMBL1975595; ZINC1642567; NSC-667510; (5Z)-3-(dimethylamino)-5-[(4-nitrophenyl)methylene]thiazolidine-2,4-dione; 3-(Dimethylamino)-5-(4-(hydroxy(oxido)amino)benzylidene)-1,3-thiazolidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667510	.	.	.	.	293.3	C12H11N3O4S	112	464	2.4	20	0	6	2	"InChI=1S/C12H11N3O4S/c1-13(2)14-11(16)10(20-12(14)17)7-8-3-5-9(6-4-8)15(18)19/h3-7H,1-2H3/b10-7-"	CN(C)N1C(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/SC1=O	KDMUDFDUCZHUEI-YFHOEESVSA-N
DG62243	NSC667642	5468287	"(13E)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[1-(3-phenyloxiran-2-yl)ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone; cryptophycin; CHEMBL1965770; SCHEMBL10413162; ANTINEOPLASTIC-D667642; NSC667642; NSC-667642"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667642	.	.	.	.	655.2	C35H43ClN2O8	133	1080	6.2	46	2	8	8	"InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+"	CC1CNC(=O)C(NC(=O)/C=C/CC(OC(=O)C(OC1=O)CC(C)C)C(C)C2C(O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl	PSNOPSMXOBPNNV-UKTHLTGXSA-N
DG62244	"Di(tert-butyl) 3-(2-(ethylthio)-2-oxoethylidene)-1,2-azetidinedicarboxylate"	5468313	"NSC668366; CHEMBL2003071; MWJGINGFPOXZFR-PKNBQFBNSA-; NSC-668366; Di(tert-butyl) 3-(2-(ethylthio)-2-oxoethylidene)-1,2-azetidinedicarboxylate; ditert-butyl (3E)-3-(2-ethylsulfanyl-2-oxo-ethylidene)azetidine-1,2-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668366	.	.	.	.	357.5	C17H27NO5S	98.2	542	2.5	24	0	6	8	"InChI=1S/C17H27NO5S/c1-8-24-12(19)9-11-10-18(15(21)23-17(5,6)7)13(11)14(20)22-16(2,3)4/h9,13H,8,10H2,1-7H3/b11-9+"	CCSC(=O)/C=C/1\\CN(C1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	MWJGINGFPOXZFR-PKNBQFBNSA-N
DG62245	Pectenotoxin II	5468320	"Pectenotoxin II; (1R,2S,5S,7S,8E,10E,12S,14R,16S,19S,20R,24R,27R,28S,29S,32S,33S,35R)-14-[(2R,3S,4S)-2,3-Dihydroxy-4-methyloxan-2-yl]-28-hydroxy-5,7,9,19,29,35-hexamethyl-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.124,27.129,32.012,16]tritetraconta-8,10-diene-18,31-dione; 97564-91-5; NSC668555; NSC-668555"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668555	.	.	.	.	859	C47H70O14	178	1750	3.8	61	3	14	1	"InChI=1S/C47H70O14/c1-26-10-11-32-34(22-37(54-32)47(52)39(49)28(3)14-20-53-47)55-41(51)29(4)31-9-8-15-45(56-31)17-12-33(57-45)40(50)44(7)24-30(48)38(60-44)35-25-43(6)18-19-46(58-35,61-43)36-13-16-42(5,59-36)23-27(2)21-26/h10-11,21,27-29,31-40,49-50,52H,8-9,12-20,22-25H2,1-7H3/b11-10+,26-21+/t27-,28+,29+,31-,32+,33-,34+,35+,36+,37-,38-,39+,40+,42+,43-,44+,45-,46-,47+/m1/s1"	C[C@H]1CCO[C@]([C@H]1O)([C@H]2C[C@H]3[C@@H](O2)/C=C/C(=C/[C@H](C[C@@]4(CC[C@H](O4)[C@@]56CC[C@@](O5)(C[C@H](O6)[C@H]7C(=O)C[C@](O7)([C@H]([C@H]8CC[C@]9(O8)CCC[C@@H](O9)[C@@H](C(=O)O3)C)O)C)C)C)C)/C)O	PTKFEDGHUVZLPL-XAHUWGBLSA-N
DG62246	3-[(E)-2-nitrovinyl]-1-[5-[3-[(E)-2-nitrovinyl]indol-1-yl]pentyl]indole	5468322	"NSC668603; CHEMBL1970973; NSC-668603; 1H-Indole, 1,1'-(1,5-pentanediyl)bis[3-[(E)-2-nitroethenyl]-; 3-[(E)-2-nitrovinyl]-1-[5-[3-[(E)-2-nitrovinyl]indol-1-yl]pentyl]indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668603	.	.	.	.	444.5	C25H24N4O4	102	671	5.2	33	0	4	8	"InChI=1S/C25H24N4O4/c30-28(31)16-12-20-18-26(24-10-4-2-8-22(20)24)14-6-1-7-15-27-19-21(13-17-29(32)33)23-9-3-5-11-25(23)27/h2-5,8-13,16-19H,1,6-7,14-15H2/b16-12+,17-13+"	C1=CC=C2N(C=C(C2=C1)/C=C/[N+](=O)[O-])CCCCCN3C4=CC=CC=C4C(=C3)/C=C/[N+](=O)[O-]	RSEJSRZLMAOVDT-UNZYHPAISA-N
DG62247	NSC669146	5468332	"6,4-dioxacyclodeca[cd]pentalene-2,7(4aH)-dione, 2a,3,5,6,11a,11b-hexahydro-3-hydroxy-2a,6,10-trimethyl-3-(1-methylethenyl)-, [2aS-(2aR*,3S*,4aR*,6S*,10Z,11aS*,11bS*)]-; NSC669146; CHEMBL1994322; NSC-669146; 6,4-dioxacyclodeca[cd]pentalene-2,7(4aH)-dione, 2a,3,5,6,11a,11b-hexahydro-3-hydroxy-2a,6,10-trimethyl-3-(1-methylethenyl)-, [2aS-(2aR*,3S*,4aR*,6S*,10Z,11aS*,11bS*)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669146	.	.	.	.	346.4	C19H22O6	82.1	779	1.4	25	1	6	1	"InChI=1S/C19H22O6/c1-9(2)19(22)18(5)15-12(23-16(18)21)6-10(3)11-7-14(20)17(4,24-11)8-13(15)25-19/h6-7,12-13,15,22H,1,8H2,2-5H3/b10-6-/t12-,13-,15+,17+,18+,19+/m0/s1"	C/C/1=C/[C@H]2[C@@H]3[C@H](C[C@@]4(C(=O)C=C1O4)C)O[C@@]([C@]3(C(=O)O2)C)(C(=C)C)O	YEIAHHGCPUIGOQ-UEUWLQARSA-N
DG62248	2-trans-n-Penten-1-yl estradiol	5468333	CHEMBL1627434; NSC669228; 2-trans-n-penten-1-yl estradiol; BDBM50369015; NSC-669228; 2-[(E)-1-Pentenyl]-17beta-estradiol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669228	.	.	.	.	340.5	C23H32O2	40.5	500	6	25	2	2	3	"InChI=1S/C23H32O2/c1-3-4-5-6-16-13-19-15(14-21(16)24)7-8-18-17(19)11-12-23(2)20(18)9-10-22(23)25/h5-6,13-14,17-18,20,22,24-25H,3-4,7-12H2,1-2H3/b6-5+/t17-,18+,20-,22-,23-/m0/s1"	CCC/C=C/C1=C(C=C2CC[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4O)C)O	NFBYYCSKVCPRSU-VUYBKYNYSA-N
DG62249	2-trans-n-Buten-1-yl-estradiol	5468334	NSC669229; CHEMBL291384; 2-trans-n-buten-1-yl-estradiol; NSC-669229	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669229	.	.	.	.	326.5	C22H30O2	40.5	486	5.5	24	2	2	2	"InChI=1S/C22H30O2/c1-3-4-5-15-12-18-14(13-20(15)23)6-7-17-16(18)10-11-22(2)19(17)8-9-21(22)24/h4-5,12-13,16-17,19,21,23-24H,3,6-11H2,1-2H3/b5-4+/t16 ,17 ,19 ,21-,22-/m0/s1"	CC/C=C/C1=C(C=C2CCC3C(C2=C1)CC[C@]4(C3CC[C@@H]4O)C)O	ANAMDWGJXBYJEB-UDSNELCOSA-N
DG62250	"Piperidin-4-one,5-bis[(2,3,4-trimethoxyphenyl) methylene]-1-methyl-, hydrochloride"	5468386	"NSC669441; CHEMBL1984180; NSC-669441; Piperidin-4-one,5-bis[(2,3,4-trimethoxyphenyl) methylene]-1-methyl-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669441	.	.	.	.	506	C26H32ClNO7	75.7	681	.	35	1	8	8	"InChI=1S/C26H31NO7.ClH/c1-27-14-18(12-16-8-10-20(29-2)25(33-6)23(16)31-4)22(28)19(15-27)13-17-9-11-21(30-3)26(34-7)24(17)32-5;/h8-13H,14-15H2,1-7H3;1H/b18-12+,19-13+;"	CN1C/C(=C\\C2=C(C(=C(C=C2)OC)OC)OC)/C(=O)/C(=C/C3=C(C(=C(C=C3)OC)OC)OC)/C1.Cl	HAKXZTHKIAUNKI-VIWUVAGBSA-N
DG62251	N-[(E)-1-dimethoxyphosphoryl-2-(1-tritylimidazol-4-yl)vinyl]formamide	5468398	NSC669592; CHEMBL1970930; ZINC5763000; NSC-669592; Dimethyl 1-(formylamino)-2-(1-trityl-1H-imidazol-4-yl)vinylphosphonate; N-[(E)-1-dimethoxyphosphoryl-2-(1-tritylimidazol-4-yl)vinyl]formamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669592	.	.	.	.	487.5	C27H26N3O4P	82.4	704	3.8	35	1	5	9	"InChI=1S/C27H26N3O4P/c1-33-35(32,34-2)26(29-21-31)18-25-19-30(20-28-25)27(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-21H,1-2H3,(H,29,31)/b26-18+"	COP(=O)(/C(=C/C1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/NC=O)OC	ZLAPORNFYHVNOP-NLRVBDNBSA-N
DG62252	N-[(E)-2-(1-acetylindol-3-yl)-1-dimethoxyphosphoryl-vinyl]acetamide	5468401	NSC669638; CHEMBL1980490; ZINC6002099; NSC-669638; Dimethyl 1-(acetylamino)-2-(1-acetyl-1H-indol-3-yl)vinylphosphonate; N-[(E)-2-(1-acetylindol-3-yl)-1-dimethoxyphosphoryl-vinyl]acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669638	.	.	.	.	350.31	C16H19N2O5P	86.6	569	0.8	24	1	5	5	"InChI=1S/C16H19N2O5P/c1-11(19)17-16(24(21,22-3)23-4)9-13-10-18(12(2)20)15-8-6-5-7-14(13)15/h5-10H,1-4H3,(H,17,19)/b16-9+"	CC(=O)N/C(=C\\C1=CN(C2=CC=CC=C21)C(=O)C)/P(=O)(OC)OC	UWRXRAKZCFIVBJ-CXUHLZMHSA-N
DG62253	"N-[(Z)-1-dimethoxyphosphoryl-2-(3-trityl-1,2-dihydroimidazol-5-yl)vinyl]formamide"	5468402	"NSC669683; CHEMBL1999210; NSC-669683; Dimethyl 1-(formylamino)-2-(1-trityl-2,3-dihydro-1H-imidazol-4-yl)vinylphosphonate; N-[(Z)-1-dimethoxyphosphoryl-2-(3-trityl-1,2-dihydroimidazol-5-yl)vinyl]formamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669683	.	.	.	.	489.5	C27H28N3O4P	79.9	758	4.1	35	2	6	9	"InChI=1S/C27H28N3O4P/c1-33-35(32,34-2)26(29-21-31)18-25-19-30(20-28-25)27(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-19,21,28H,20H2,1-2H3,(H,29,31)/b26-18-"	COP(=O)(/C(=C\\C1=CN(CN1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/NC=O)OC	WAEOKINVFKZWOU-ITYLOYPMSA-N
DG62254	"3-propyl-6-[(4E,7E,10E,12E,18E)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethylicosa-4,7,10,12,18-pentaen-2-yl]pyran-2-one"	5468405	NSC669697; CHEMBL1976243; NSC-669697	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669697	.	.	.	.	540.8	C34H52O5	87	1030	8.9	39	3	5	15	"InChI=1S/C34H52O5/c1-10-13-29-17-19-31(39-34(29)38)28(9)33(37)26(7)15-12-14-22(3)20-24(5)21-23(4)16-18-30(35)27(8)32(36)25(6)11-2/h11,14-17,19,21,27-28,30,32-33,35-37H,10,12-13,18,20H2,1-9H3/b22-14+,23-16+,24-21+,25-11+,26-15+"	CCCC1=CC=C(OC1=O)C(C)C(/C(=C/C/C=C(\\C)/C/C(=C/C(=C/CC(C(C)C(/C(=C/C)/C)O)O)/C)/C)/C)O	OTNYCNDIGKWKTO-RCXJYNBZSA-N
DG62255	NSC669727	5468408	"[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate; NSC669727; CHEMBL2003255; NSC-669727"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669727	.	.	.	.	528.6	C29H37FN2O6	105	1140	5	38	2	7	9	"InChI=1S/C29H37FN2O6/c1-18(11-12-21-20(3)10-7-13-29(21,4)5)8-6-9-19(2)14-26(34)38-23-15-25(37-24(23)17-33)32-16-22(30)27(35)31-28(32)36/h6,8-9,11-12,14,16,23-25,33H,7,10,13,15,17H2,1-5H3,(H,31,35,36)/b9-6+,12-11+,18-8+,19-14+"	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)OC2CC(OC2CO)N3C=C(C(=O)NC3=O)F)/C)/C	BSJWALRNHXFAOI-ZEHYRTHWSA-N
DG62256	NSC669728	5468409	"[3-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate; NSC669728; CHEMBL2002341; NSC-669728"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669728	.	.	.	.	811	C49H63FN2O7	111	1990	11.9	59	1	8	16	"InChI=1S/C49H63FN2O7/c1-32(21-23-38-36(5)19-13-25-48(38,7)8)15-11-17-34(3)27-44(53)57-31-42-41(29-43(58-42)52-30-40(50)46(55)51-47(52)56)59-45(54)28-35(4)18-12-16-33(2)22-24-39-37(6)20-14-26-49(39,9)10/h11-12,15-18,21-24,27-28,30,41-43H,13-14,19-20,25-26,29,31H2,1-10H3,(H,51,55,56)/b17-11+,18-12+,23-21+,24-22+,32-15+,33-16+,34-27+,35-28+"	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)F)OC(=O)/C=C(\\C)/C=C/C=C(\\C)/C=C/C4=C(CCCC4(C)C)C)/C)/C	VIAGTTOZHTZNFT-FNMSJJEGSA-N
DG62257	Cryptophycin B	5468424	Cryptophycin B; NSC670038; CHEMBL1975251; ANTINEOPLASTIC-D670038; NSC-670038	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670038	.	.	.	.	620.7	C35H44N2O8	133	1030	5.5	45	2	8	8	"InChI=1S/C35H44N2O8/c1-21(2)18-29-35(41)43-28(23(4)31-32(45-31)25-10-7-6-8-11-25)12-9-13-30(38)37-27(19-24-14-16-26(42-5)17-15-24)33(39)36-20-22(3)34(40)44-29/h6-11,13-17,21-23,27-29,31-32H,12,18-20H2,1-5H3,(H,36,39)(H,37,38)/b13-9+/t22-,23+,27-,28+,29+,31-,32-/m1/s1"	C[C@@H]1CNC(=O)[C@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC=C(C=C4)OC	YFGZFQNBPSCWPN-FOLMERSESA-N
DG62258	"2-((4-Tert-butyl-1-(cyclohexylmethyl)cyclohexyl)oxy)-N,N-dimethylethanamine 2-butenedioate"	5468429	"NSC670227; CHEMBL2374783; NSC-670227; 2-((4-Tert-butyl-1-(cyclohexylmethyl)cyclohexyl)oxy)-N,N-dimethylethanamine 2-butenedioate; 2-[4-tert-butyl-1-(cyclohexylmethyl)cyclohexoxy]-N,N-dimethyl-ethanamine; fumaric acid; trans-2-((1-(cyclohexyl-methyl)-4-tert.butylcyclohexyl)oxy)N, salt of fumaric acid; trans-2-((1-(cyclohexyl-methyl)-4-tert.butylcyclohexyl)oxy)N, N-dimethyl-1-ethanamine-, salt of fumaric acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670227	.	.	.	.	439.6	C25H45NO5	87.1	449	.	31	2	6	9	"InChI=1S/C21H41NO.C4H4O4/c1-20(2,3)19-11-13-21(14-12-19,23-16-15-22(4)5)17-18-9-7-6-8-10-18;5-3(6)1-2-4(7)8/h18-19H,6-17H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+"	CC(C)(C)C1CCC(CC1)(CC2CCCCC2)OCCN(C)C.C(=C/C(=O)O)\\C(=O)O	AARXZXDDDNNOBK-WLHGVMLRSA-N
DG62259	"2-((4-Tert-butyl-1-(2,4-dichlorobenzyl)cyclohexyl)oxy)-N,N-dimethylethanamine 2-butenedioate"	5468430	"NSC670228; CHEMBL2374672; NSC-670228; trans-2-((1-(2,N-dimethyl-1-ethanamine-, salt with fumaric acid; 2-((4-Tert-butyl-1-(2,4-dichlorobenzyl)cyclohexyl)oxy)-N,N-dimethylethanamine 2-butenedioate; 2-[4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexoxy]-N,N-dimethyl-ethanamine; fumaric acid; trans-2-((1-(2, 4-dichlorophenyl-methyl)-4-tert.butylcyclohexyl)oxy)N, N-dimethyl-1-ethanamine-, salt with fumaric acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670228	.	.	.	.	502.5	C25H37Cl2NO5	87.1	518	.	33	2	6	9	"InChI=1S/C21H33Cl2NO.C4H4O4/c1-20(2,3)17-8-10-21(11-9-17,25-13-12-24(4)5)15-16-6-7-18(22)14-19(16)23;5-3(6)1-2-4(7)8/h6-7,14,17H,8-13,15H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+"	CC(C)(C)C1CCC(CC1)(CC2=C(C=C(C=C2)Cl)Cl)OCCN(C)C.C(=C/C(=O)O)\\C(=O)O	IGOOXIYIMTXTPM-WLHGVMLRSA-N
DG62260	2-(4-Nitrobenzylidene)cyclohexanone	5468452	"NSC670684; 2-(4-nitrobenzylidene)cyclohexanone; CHEMBL451018; NIOSH/GW1887500; 2-(p-Nitrobenzylidene)cyclohexanone; ZINC1717809; NSC-670684; Cyclohexanone, 2-(p-nitrobenzylidene)-; (E)-2-(4-nitrobenzylidene)cyclohexanone; GW18875000; Cyclohexanone, 2-((4-nitrophenyl)methylene)-; (2E)-2-[(4-nitrophenyl)methylene]cyclohexanone; 2-(4-(Hydroxy(oxido)amino)benzylidene)cyclohexanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670684	.	.	.	.	231.25	C13H13NO3	62.9	335	2.8	17	0	3	1	"InChI=1S/C13H13NO3/c15-13-4-2-1-3-11(13)9-10-5-7-12(8-6-10)14(16)17/h5-9H,1-4H2/b11-9+"	C1CCC(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C1	WKEXENOSHSPMMW-PKNBQFBNSA-N
DG62261	"(E)-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene"	5468474	NSC670799; CHEMBL1970678; NSC-670799	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670799	.	.	.	.	288.05	C10H17BrCl2	0	164	5.2	13	0	0	6	"InChI=1S/C10H17BrCl2/c1-8(2)4-3-5-9(6-11)10(13)7-12/h8H,3-7H2,1-2H3/b10-9+"	CC(C)CCC/C(=C(/CCl)\\Cl)/CBr	ZJALXZAHUYDTJK-MDZDMXLPSA-N
DG62262	"(E)-3-(bromomethyl)-1,2,6,7-tetrachloro-7-methyloct-2-ene"	5468475	NSC670806; CHEMBL1972931; NSC-670806	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670806	.	.	.	.	356.9	C10H15BrCl4	0	226	5	15	0	0	6	"InChI=1S/C10H15BrCl4/c1-10(2,15)9(14)4-3-7(5-11)8(13)6-12/h9H,3-6H2,1-2H3/b8-7+"	CC(C)(C(CC/C(=C(/CCl)\\Cl)/CBr)Cl)Cl	UIGXZKYHJGKJFU-BQYQJAHWSA-N
DG62263	"2-Octene,6,7-trichloro-7-methyl-"	5468476	"NSC670807; CHEMBL1981672; 2-Octene,6,7-trichloro-7-methyl-; NSC-670807"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670807	.	.	.	.	401.4	C10H15Br2Cl3	0	227	5.2	15	0	0	6	"InChI=1S/C10H15Br2Cl3/c1-10(2,15)9(14)4-3-7(5-11)8(13)6-12/h9H,3-6H2,1-2H3/b8-7+"	CC(C)(C(CC/C(=C(/CBr)\\Cl)/CBr)Cl)Cl	NWPBPKLFGPSJGT-BQYQJAHWSA-N
DG62264	"(E)-6-bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene"	5468477	NSC670810; CHEMBL1981581; NSC-670810	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670810	.	.	.	.	366.94	C10H16Br2Cl2	0	191	5.3	14	0	0	6	"InChI=1S/C10H16Br2Cl2/c1-7(2)9(12)4-3-8(5-11)10(14)6-13/h7,9H,3-6H2,1-2H3/b10-8+"	CC(C)C(CC/C(=C(/CCl)\\Cl)/CBr)Br	UXRINMVIUVVTLH-CSKARUKUSA-N
DG62265	"(E)-3-(bromomethyl)-1,2,6-trichloro-7-methyloct-2-ene"	5468478	NSC670811; CHEMBL1990246; NSC-670811	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670811	.	.	.	.	322.5	C10H16BrCl3	0	190	5.2	14	0	0	6	"InChI=1S/C10H16BrCl3/c1-7(2)9(13)4-3-8(5-11)10(14)6-12/h7,9H,3-6H2,1-2H3/b10-8+"	CC(C)C(CC/C(=C(/CCl)\\Cl)/CBr)Cl	RKFUUOCSKVSRRP-CSKARUKUSA-N
DG62266	NSC670851	5468479	"(1R,2R,5Z,12R,13S,16Z)-25-(9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol;hydrochloride; CHEMBL1980072; NSC670851; NSC-670851"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670851	.	.	.	.	585.2	C36H45ClN4O	55.4	1050	.	42	3	4	1	"InChI=1S/C36H44N4O.ClH/c41-36-18-10-4-1-2-5-11-20-39-22-17-30(35(25-39)23-26-13-7-3-6-12-21-40(26)34(35)36)29(24-36)32-33-28(16-19-37-32)27-14-8-9-15-31(27)38-33;/h1,4,7-9,13-16,19,24,26,30,34,38,41H,2-3,5-6,10-12,17-18,20-23,25H2;1H/b4-1-,13-7-;/t26 ,30-,34+,35-,36-;/m0./s1"	C1CCN2CC[C@H]3C(=C[C@@](CC/C=C\\C1)([C@H]4[C@]3(C2)CC/5N4CCCC/C=C5)O)C6=NC=CC7=C6NC8=CC=CC=C78.Cl	DIVWQABXFSWTEF-VERRYWJFSA-N
DG62267	NSC670852	5468481	"(1R,2R,5Z,12R,13S,16Z)-25-(8-hydroxy-9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol; CHEMBL612054; NSC670852; NSC-670852"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670852	.	.	.	.	564.8	C36H44N4O2	75.6	1090	5.3	42	3	5	1	"InChI=1S/C36H44N4O2/c41-30-14-11-13-26-27-15-18-37-32(33(27)38-31(26)30)28-23-36(42)17-8-4-1-2-5-9-19-39-21-16-29(28)35(24-39)22-25-12-7-3-6-10-20-40(25)34(35)36/h1,4,7,11-15,18,23,25,29,34,38,41-42H,2-3,5-6,8-10,16-17,19-22,24H2/b4-1-,12-7-/t25 ,29-,34+,35-,36-/m0/s1"	C1CCN2CC[C@H]3C(=C[C@@](CC/C=C\\C1)([C@H]4[C@]3(C2)CC/5N4CCCC/C=C5)O)C6=NC=CC7=C6NC8=C7C=CC=C8O	AMSNINGPDSUBHZ-FEPATLFLSA-N
DG62268	"Concanamycin A,8-deethyl-8-methyl-"	5468506	"Concanamycin B; 81552-33-2; MCH 210; Concanamycin A,8-deethyl-8-methyl-; NSC670977; NSC-670977; Oxacyclooctadeca-3,13,15-tetraen-2-one, 18-[(1S,2R,3S)-3-[(2R,4R,5S,6R)-4-[[4-O-(aminocarbonyl)- 2,6-dideoxy-.beta.-D-arabino-hexopyranosyl]oxy]tetrahydro- 2-hydroxy-5-methyl-6-(1E)-1-propenyl-2H-pyran-2-yl]- 2-hydroxy-1-methylbutyl]-8,10-dihydroxy-3,17-dimethoxy- 5,7,9,11,13-pentamethyl-, (3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670977	.	.	.	.	852.1	C45H73NO14	226	1560	5.6	60	6	14	11	"InChI=1S/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14+,23-16+,24-19+,35-20-/t25 ,26-,27 ,28+,29+,30 ,31 ,32 ,33 ,34 ,36-,37 ,38 ,39-,40 ,41 ,42 ,45 /m1/s1"	C/C=C/C1C([C@@H](CC(O1)(C(C)C([C@H](C)C2C(/C=C/C=C(/CC(C([C@@H]([C@@H]([C@@H](/C=C(/C=C(/C(=O)O2)\\OC)\\C)C)O)C)O)C)\\C)OC)O)O)OC3CC(C(C(O3)C)OC(=O)N)O)C	AQXXGIBOZQZSAT-PJGWWKFTSA-N
DG62269	"2-(1-Naphthyl)ethyl 3,4-dihydroxycinnamate"	5468519	"NSC671184; CHEMBL133491; BDBM50029210; NSC-671184; Caffeic acid 2-(1 naphthyl)ethyl ester; 2-(1-Naphthyl)ethyl 3,4-dihydroxycinnamate; 2-(1-naphthyl)ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-naphthalen-1-yl-ethyl ester; 3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-naphthalen-1-yl-ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671184	.	.	.	.	334.4	C21H18O4	66.8	461	4.7	25	2	4	6	"InChI=1S/C21H18O4/c22-19-10-8-15(14-20(19)23)9-11-21(24)25-13-12-17-6-3-5-16-4-1-2-7-18(16)17/h1-11,14,22-23H,12-13H2/b11-9+"	C1=CC=C2C(=C1)C=CC=C2CCOC(=O)/C=C/C3=CC(=C(C=C3)O)O	VFBDUQDKOJTRNI-PKNBQFBNSA-N
DG62270	"N-Phenyl-2-(3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)ethanethioamide"	5468533	"NSC671368; CHEMBL2003055; ZINC104311444; ZINC104311453; NSC-671368; (2Z)-N-phenyl-2-[(4E,5Z)-3-phenyl-4,5-bis(phenylimino)thiazolidin-2-ylidene]thioacetamide; N-Phenyl-2-(3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)ethanethioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671368	.	.	.	.	490.6	C29H22N4S2	97.4	796	7.2	35	1	4	5	"InChI=1S/C29H22N4S2/c34-26(30-22-13-5-1-6-14-22)21-27-33(25-19-11-4-12-20-25)28(31-23-15-7-2-8-16-23)29(35-27)32-24-17-9-3-10-18-24/h1-21H,(H,30,34)/b27-21-,31-28 ,32-29 "	C1=CC=C(C=C1)NC(=S)/C=C\\2/N(C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)S2)C5=CC=CC=C5	CSEXUSPPVBOWEZ-NCYFEJAWSA-N
DG62271	2-Benzylidene-6-methoxy-1-indanone	5468555	NSC671632; 2-Benzylidene-6-methoxy-1-indanone; CHEMBL2006895; ZINC6004497; NSC-671632; (2E)-2-benzylidene-6-methoxy-indan-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671632	.	.	.	.	250.29	C17H14O2	26.3	366	3.8	19	0	2	2	"InChI=1S/C17H14O2/c1-19-15-8-7-13-10-14(17(18)16(13)11-15)9-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3/b14-9+"	COC1=CC2=C(C/C(=C\\C3=CC=CC=C3)/C2=O)C=C1	WLNXGKLGUVFTLX-NTEUORMPSA-N
DG62272	"2-Benzylidene-5,6-dimethoxy-1-indanone"	5468556	"NSC671633; SCHEMBL8010257; CHEMBL1971529; AKOS024437530; NSC-671633; 2-Benzylidene-5,6-dimethoxy-1-indanone; (2E)-2-Benzylidene-5,6-dimethoxyindan-1-one; (2E)-2-benzylidene-5,6-dimethoxy-indan-1-one; 2-Benzylidene-5,6-dimethoxy-2,3-dihydro-1H-indene-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671633	.	.	.	.	280.3	C18H16O3	35.5	409	3.7	21	0	3	3	"InChI=1S/C18H16O3/c1-20-16-10-13-9-14(8-12-6-4-3-5-7-12)18(19)15(13)11-17(16)21-2/h3-8,10-11H,9H2,1-2H3/b14-8+"	COC1=C(C=C2C(=C1)C/C(=C\\C3=CC=CC=C3)/C2=O)OC	OFGKZKHSXFVVBV-RIYZIHGNSA-N
DG62273	NSC671677	5468560	"N-[(E)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(5E,7E,13E,19E,25S,29S)-15,17,29-trihydroxy-3,21,23-trimethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodec-1-enyl]-N-methylformamide; NSC671677; CHEMBL1984218; NSC-671677"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671677	.	.	.	.	946.2	C52H83NO14	197	1710	5.2	67	3	14	16	"InChI=1S/C52H83NO14/c1-32-16-14-18-47(58)66-51(38(7)50(65-13)34(3)21-24-43(56)36(5)45(63-11)17-15-25-53(8)31-54)35(4)19-22-40(55)29-44(57)33(2)20-23-41(61-9)30-46(64-12)37(6)52-49(60)39(28-48(59)67-52)27-42(26-32)62-10/h14-16,18-20,22-23,25,28,31,33-38,40-42,44-46,49-52,55,57,60H,17,21,24,26-27,29-30H2,1-13H3/b18-14+,22-19+,23-20+,25-15+,32-16+/t33 ,34 ,35 ,36 ,37 ,38 ,40 ,41 ,42 ,44 ,45 ,46 ,49-,50 ,51 ,52-/m0/s1"	CC1/C=C/C(CC(C([C@H]2[C@H](C(=CC(=O)O2)CC(C/C(=C/C=C/C(=O)OC(C(/C=C/C(CC1O)O)C)C(C)C(C(C)CCC(=O)C(C)C(C/C=C/N(C)C=O)OC)OC)/C)OC)O)C)OC)OC	AUGBUMLPEBEQNB-MPZVQNBPSA-N
DG62274	NSC671678	5468561	"N-[(E)-11-[(5E,7E,13E,19E,25S,29S)-15,29-dihydroxy-2,3,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-enyl]-N-methylformamide; NSC671678; CHEMBL2001663; NSC-671678"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671678	.	.	.	.	990.3	C54H87NO15	195	1780	5.2	70	2	15	18	"InChI=1S/C54H87NO15/c1-33-18-16-20-48(59)69-52(39(7)51(67-14)35(3)23-26-43(58)37(5)44(63-10)19-17-27-55(8)32-56)36(4)21-24-40(57)29-45(64-11)34(2)22-25-41(62-9)30-46(65-12)38(6)53-50(61)42(31-49(60)70-53)54(68-15)47(28-33)66-13/h16-18,20-22,24-25,27,31-32,34-41,44-47,50-54,57,61H,19,23,26,28-30H2,1-15H3/b20-16+,24-21+,25-22+,27-17+,33-18+/t34 ,35 ,36 ,37 ,38 ,39 ,40 ,41 ,44 ,45 ,46 ,47 ,50-,51 ,52 ,53-,54 /m0/s1"	CC1/C=C/C(CC(C([C@H]2[C@H](C(=CC(=O)O2)C(C(C/C(=C/C=C/C(=O)OC(C(/C=C/C(CC1OC)O)C)C(C)C(C(C)CCC(=O)C(C)C(C/C=C/N(C)C=O)OC)OC)/C)OC)OC)O)C)OC)OC	GNVXNFJGHBCESL-GXVIQCKOSA-N
DG62275	NSC671680	5468563	"N-[(E)-11-[(5E,7E,13E,19E,25S,29S)-17,29-dihydroxy-2,3,15,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-enyl]-N-methylformamide; NSC671680; CHEMBL1975879; NSC-671680"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671680	.	.	.	.	990.3	C54H87NO15	195	1780	5.2	70	2	15	18	"InChI=1S/C54H87NO15/c1-33-18-16-20-48(59)69-52(39(7)51(67-14)35(3)23-26-43(57)37(5)45(64-11)19-17-27-55(8)32-56)36(4)22-25-40(62-9)29-44(58)34(2)21-24-41(63-10)30-46(65-12)38(6)53-50(61)42(31-49(60)70-53)54(68-15)47(28-33)66-13/h16-18,20-22,24-25,27,31-32,34-41,44-47,50-54,58,61H,19,23,26,28-30H2,1-15H3/b20-16+,24-21+,25-22+,27-17+,33-18+/t34 ,35 ,36 ,37 ,38 ,39 ,40 ,41 ,44 ,45 ,46 ,47 ,50-,51 ,52 ,53-,54 /m0/s1"	CC1/C=C/C(CC(C([C@H]2[C@H](C(=CC(=O)O2)C(C(C/C(=C/C=C/C(=O)OC(C(/C=C/C(CC1O)OC)C)C(C)C(C(C)CCC(=O)C(C)C(C/C=C/N(C)C=O)OC)OC)/C)OC)OC)O)C)OC)OC	GIEXXWAAMFTZSN-GXVIQCKOSA-N
DG62276	NSC671871	5468574	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-[(3-azidobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC671871; CHEMBL351541; NSC-671871; NCI60_025416"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671871	.	.	.	.	894.9	C47H50N4O14	236	1970	3.4	65	4	16	15	"InChI=1S/C47H50N4O14/c1-24-31(63-43(59)36(55)35(27-14-9-7-10-15-27)49-41(57)29-18-13-19-30(20-29)50-51-48)22-47(60)40(64-42(58)28-16-11-8-12-17-28)38-45(6,32(54)21-33-46(38,23-61-33)65-26(3)53)39(56)37(62-25(2)52)34(24)44(47,4)5/h7-20,31-33,35-38,40,54-55,60H,21-23H2,1-6H3,(H,49,57)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC(=CC=C6)N=[N+]=[N-])O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	SEFFOEPUGYGHPV-MZXODVADSA-N
DG62277	"[(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-yl] 9,10-dioxoanthracene-2-carboxylate"	5468578	"NSC671898; CHEMBL1987370; NSC-671898; [(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-yl] 9,10-dioxoanthracene-2-carboxylate; 3,4,8,9-Tetradehydro-5,10-dihydro-2H-thiecin-5-yl 9,10-dioxo-9,10-dihydro-2-anthracenecarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671898	.	.	.	.	398.4	C24H14O4S	85.7	860	4.3	29	0	5	3	"InChI=1S/C24H14O4S/c25-22-18-9-3-4-10-19(18)23(26)21-15-16(11-12-20(21)22)24(27)28-17-7-2-1-5-13-29-14-6-8-17/h2-4,7,9-12,15,17H,13-14H2/b7-2-"	C1C#C/C=C\\C(C#CCS1)OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O	HPDKUMPHBWGGBY-UQCOIBPSSA-N
DG62278	N-Acetyl-1-(3-iodo-1-oxo-2-trans-propenyl)indoline-3-ethanamine	5468579	"NSC671902; N-Acetyl-1-(3-iodo-1-oxo-2-trans-propenyl)indoline-3-ethanamine; NSC695368; CHEMBL1994415; NSC-671902; N-[2-[1-[(E)-3-iodoprop-2-enoyl]indolin-3-yl]ethyl]acetamide; N-(2-(1-(3-Iodoacryloyl)-2,3-dihydro-1H-indol-3-yl)ethyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671902	.	.	.	.	384.21	C15H17IN2O2	49.4	397	1.9	20	1	2	4	"InChI=1S/C15H17IN2O2/c1-11(19)17-9-7-12-10-18(15(20)6-8-16)14-5-3-2-4-13(12)14/h2-6,8,12H,7,9-10H2,1H3,(H,17,19)/b8-6+"	CC(=O)NCCC1CN(C2=CC=CC=C12)C(=O)/C=C/I	MHGHKECOHLJWOC-SOFGYWHQSA-N
DG62279	(E)-2-diethoxyphosphoryl-3-(2-phenyl-1H-imidazol-5-yl)prop-2-enenitrile	5468613	NSC672866; CHEMBL1966195; ZINC13215719; (E)-2-diethoxyphosphoryl-3-(2-phenyl-1H-imidazol-5-yl)prop-2-enenitrile; NSC-672866; Diethyl 1-cyano-2-(2-phenyl-1H-imidazol-5-yl)vinylphosphonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672866	.	.	.	.	331.31	C16H18N3O3P	88	498	2	23	1	5	7	"InChI=1S/C16H18N3O3P/c1-3-21-23(20,22-4-2)15(11-17)10-14-12-18-16(19-14)13-8-6-5-7-9-13/h5-10,12H,3-4H2,1-2H3,(H,18,19)/b15-10+"	CCOP(=O)(/C(=C/C1=CN=C(N1)C2=CC=CC=C2)/C#N)OCC	WDNNYKAJTUWOAO-XNTDXEJSSA-N
DG62280	"(10E)-10-(pyridin-2-ylmethylidene)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-3,9-dione"	5468621	"NSC672907; CHEMBL1996731; (E)-2-pyridylmethylene[ ]dione; NSC-672907; 7-(2-Pyridinylmethylene)-2H-naphtho[1,8-bc]furan-2,6(7H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672907	.	.	.	.	275.26	C17H9NO3	56.3	548	2.5	21	0	4	1	InChI=1S/C17H9NO3/c19-16-10(8-11-4-1-2-7-18-11)9-14-15-12(16)5-3-6-13(15)17(20)21-14/h1-9H/b10-8+	C1=CC=NC(=C1)/C=C/2\\C=C3C4=C(C2=O)C=CC=C4C(=O)O3	KUSUTJFEGJVOPV-CSKARUKUSA-N
DG62281	"2-[(1E,3E)-cyclotetradeca-1,3-dien-1-yl]propan-2-ol"	5468654	"NSC673535; 2-[(1E,3E)-cyclotetradeca-1,3-dien-1-yl]propan-2-ol; CHEMBL1993230; NSC-673535; 1,3-Cyclotetradecadiene-1-methanol, .alpha.,.alpha.-dimethyl-, (1E,3E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673535	.	.	.	.	250.4	C17H30O	20.2	273	5.8	18	1	1	1	"InChI=1S/C17H30O/c1-17(2,18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-16/h10,12,14,18H,3-9,11,13,15H2,1-2H3/b12-10+,16-14+"	CC(C)(/C/1=C/C=C/CCCCCCCCCC1)O	ZGSAVJYRIRRUMZ-PQSJUVMFSA-N
DG62282	4-Chloro-N-[(E)-[(4-chlorophenyl)amino](hydrazono)methyl]-2-mercapto-5-methylbenzenesulfonamide	5468666	CHEMBL130024; NSC674007; BDBM50409868; NCI60_026186; 2-amino-1-(4-chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-3-(4-chlorophenyl)guanidine; 4-Chloro-N-[(E)-[(4-chlorophenyl)amino](hydrazono)methyl]-2-mercapto-5-methylbenzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674007	.	.	.	.	405.3	C14H14Cl2N4O2S2	106	548	3.9	24	4	5	5	"InChI=1S/C14H14Cl2N4O2S2/c1-8-6-13(12(23)7-11(8)16)24(21,22)20-14(19-17)18-10-4-2-9(15)3-5-10/h2-7,23H,17H2,1H3,(H2,18,19,20)"	CC1=CC(=C(C=C1Cl)S)S(=O)(=O)/N=C(/NC2=CC=C(C=C2)Cl)\\NN	PJTZIWQOFDFWRU-UHFFFAOYSA-N
DG62283	NSC674449	5468682	"phenyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate; NSC674449; CHEMBL1985015; NSC-674449; (6S)-6beta,10beta-(3-Hexene-1,5-diyne-1,6-diyl)-6aalpha,10aalpha-epoxy-5,6,6a,7,8,9,10,10a-octahydrophenanthridine-5-carboxylic acid phenyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674449	.	.	.	.	393.4	C26H19NO3	42.1	906	4.3	30	0	3	2	"InChI=1S/C26H19NO3/c28-24(29-20-13-5-3-6-14-20)27-22-16-9-8-15-21(22)26-19-11-4-1-2-7-17-23(27)25(26,30-26)18-10-12-19/h1-3,5-6,8-9,13-16,19,23H,10,12,18H2/b2-1-/t19-,23+,25+,26-/m1/s1"	C1C[C@H]2C#C/C=C\\C#C[C@H]3[C@@]4(C1)[C@]2(O4)C5=CC=CC=C5N3C(=O)OC6=CC=CC=C6	FNZFZJJRAOLVCB-SBJOHIGOSA-N
DG62284	"(Z)-3-iodo-1,2-diphenyl-2-propen-1-one"	5468683	"NSC674454; CHEMBL1973201; NSC-674454; (Z)-3-iodo-1,2-diphenyl-2-propen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674454	.	.	.	.	334.15	C15H11IO	17.1	283	4.3	17	0	1	3	InChI=1S/C15H11IO/c16-11-14(12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-11H/b14-11-	C1=CC=C(C=C1)/C(=C/I)/C(=O)C2=CC=CC=C2	HZYVHOBRARIHQT-KAMYIIQDSA-N
DG62285	(Z)-1-iodo-2-phenyl-1-penten-3-one	5468684	NSC674455; CHEMBL1974871; NSC-674455; (Z)-1-iodo-2-phenyl-1-penten-3-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674455	.	.	.	.	286.11	C11H11IO	17.1	202	3.2	13	0	1	3	"InChI=1S/C11H11IO/c1-2-11(13)10(8-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-"	CCC(=O)/C(=C\\I)/C1=CC=CC=C1	FWKMZCXFDQPRAC-NTMALXAHSA-N
DG62286	(Z)-4-iodo-3-phenyl-3-buten-2-one	5468685	NSC674456; CHEMBL1987117; SCHEMBL11427613; NSC-674456; (Z)-4-iodo-3-phenyl-3-buten-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674456	.	.	.	.	272.08	C10H9IO	17.1	190	2.7	12	0	1	2	"InChI=1S/C10H9IO/c1-8(12)10(7-11)9-5-3-2-4-6-9/h2-7H,1H3/b10-7+"	CC(=O)/C(=C\\I)/C1=CC=CC=C1	YGFIPPXQZXTJHB-JXMROGBWSA-N
DG62287	NSC674620	5468688	"[6-[(2R,4S,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] carbamate; concanamycin a; CHEMBL1987547; NSC674620; NSC-674620"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674620	.	.	.	.	866.1	C46H75NO14	226	1580	6	61	6	14	12	"InChI=1S/C46H75NO14/c1-13-16-34-28(7)37(58-38-22-33(48)43(31(10)57-38)60-45(47)53)23-46(54,61-34)30(9)41(51)29(8)42-35(55-11)18-15-17-24(3)19-26(5)39(49)32(14-2)40(50)27(6)20-25(4)21-36(56-12)44(52)59-42/h13,15-18,20-21,26-35,37-43,48-51,54H,14,19,22-23H2,1-12H3,(H2,47,53)/b16-13+,18-15+,24-17+,25-20+,36-21-/t26-,27-,28-,29+,30+,31 ,32+,33 ,34-,35+,37+,38 ,39+,40-,41-,42-,43 ,46-/m1/s1"	CC[C@H]1[C@H]([C@@H](C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@@H]([C@@H]([C@H](O2)/C=C/C)C)OC3CC(C(C(O3)C)OC(=O)N)O)O)O)OC)/C)C)O	DJZCTUVALDDONK-WKSOANRISA-N
DG62288	O-methyl-concanamycin B	5468689	"O-methyl-concanamycin B; NSC674622; CHEMBL1992074; NSC-674622; Oxacyclooctadeca-3,13,15-tetraen-2-one, 18-[(1S,2R,3S)-3-[(2R,4R,5S,6R)-4-[[4-O-(aminocarbonyl)- 2,6-dideoxy-.beta.-D-arabino-hexopyranosyl]oxy]tetrahydro- 2,5-dimethyl-6-(1E)-1-propenyl-2H-pyran-2-yl]-2-hydroxy- 1-methylbutyl]-8,10-dihydroxy-3,17-dimethoxy- 5,7,9,11,13-pentamethyl-, (3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674622	.	.	.	.	866.1	C46H75NO14	215	1580	5.6	61	5	14	12	"InChI=1S/C46H75NO14/c1-14-16-34-28(6)37(58-38-22-33(48)43(32(10)57-38)60-45(47)53)23-46(56-13,61-34)31(9)41(51)30(8)42-35(54-11)18-15-17-24(2)19-26(4)39(49)29(7)40(50)27(5)20-25(3)21-36(55-12)44(52)59-42/h14-18,20-21,26-35,37-43,48-51H,19,22-23H2,1-13H3,(H2,47,53)/b16-14+,18-15+,24-17+,25-20+,36-21-/t26-,27-,28-,29+,30+,31+,32 ,33 ,34-,35+,37 ,38 ,39+,40-,41-,42-,43 ,46-/m1/s1"	C/C=C/[C@@H]1[C@H](C(C[C@@](O1)([C@@H](C)[C@@H]([C@H](C)[C@@H]2[C@H](/C=C/C=C(/C[C@H]([C@@H]([C@@H]([C@@H]([C@@H](/C=C(/C=C(/C(=O)O2)\\OC)\\C)C)O)C)O)C)\\C)OC)O)OC)OC3CC(C(C(O3)C)OC(=O)N)O)C	RKCMTKXTIVZCTQ-JYMVZCBESA-N
DG62289	"[(8aR)-5-(2-acetyloxypropan-2-yl)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl] (Z)-2-methylbut-2-enoate"	5468690	NSC674623; CHEMBL1972337; NSC-674623	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674623	.	.	.	.	376.5	C22H32O5	69.7	698	3.4	27	0	5	6	"InChI=1S/C22H32O5/c1-8-12(2)21(25)26-20-9-13(3)16-11-19(24)14(4)17(16)10-18(20)22(6,7)27-15(5)23/h8,13,16,18,20H,9-11H2,1-7H3/b12-8-/t13 ,16-,18 ,20 /m1/s1"	C/C=C(/C)\\C(=O)OC1CC([C@H]2CC(=O)C(=C2CC1C(C)(C)OC(=O)C)C)C	IQWVFAXBJQKUDH-LLWSNPAWSA-N
DG62290	NSC674624	5468691	"2-[(Z,2S)-2-[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; NSC674624; CHEMBL1985151; NSC-674624"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674624	.	.	.	.	638.9	C36H62O9	160	1100	4.4	45	7	9	8	"InChI=1S/C36H62O9/c1-20(18-37)9-8-14-35(6,45-31-30(43)29(42)28(41)23(19-38)44-31)22-12-16-34(5)21(22)10-11-24-33(4)15-13-26(39)32(2,3)25(33)17-27(40)36(24,34)7/h9,21-31,37-43H,8,10-19H2,1-7H3/b20-9-/t21-,22+,23 ,24-,25+,26+,27+,28 ,29 ,30 ,31 ,33-,34-,35+,36+/m1/s1"	C/C(=C/CC[C@@](C)([C@H]1CC[C@@]2([C@@H]1CC[C@H]3[C@]2([C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C)OC5C(C(C(C(O5)CO)O)O)O)/CO	QAXBECHONHXMHS-IOHXJDLKSA-N
DG62291	NSC674627	5468694	"2-[2-[[(2S,4aR,4bR,6aS,7R,8R,10aS,10bR,12aR)-7-hydroxy-8,10a-bis(hydroxymethyl)-8-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,1,4a,10b-tetramethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; NSC674627; CHEMBL1969063; NSC-674627"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674627	.	.	.	.	787	C41H70O14	239	1350	2.1	55	10	14	11	"InChI=1S/C41H70O14/c1-22(17-42)7-6-12-40(20-44)15-16-41(21-45)23(34(40)51)8-9-27-38(4)13-11-28(37(2,3)26(38)10-14-39(27,41)5)54-36-33(29(47)24(46)19-52-36)55-35-32(50)31(49)30(48)25(18-43)53-35/h7,23-36,42-51H,6,8-21H2,1-5H3/b22-7-/t23-,24 ,25 ,26+,27-,28+,29 ,30 ,31 ,32 ,33 ,34-,35 ,36 ,38+,39-,40-,41+/m1/s1"	C/C(=C/CC[C@@]1(CC[C@@]2([C@@H]([C@H]1O)CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC5C(C(C(CO5)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)CO)CO)/CO	PZCDUVGZEQXVFC-MPDQHISWSA-N
DG62292	Pectenotoxin 1	5468696	Pectenotoxin 1; NSC674674; NSC-674674	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674674	.	.	.	.	875	C47H70O15	198	1770	2.8	62	4	15	2	"InChI=1S/C47H70O15/c1-26-9-10-32-34(21-37(55-32)47(53)39(50)28(3)13-19-54-47)56-41(52)29(4)31-8-7-14-45(57-31)16-11-33(58-45)40(51)43(6)23-30(49)38(61-43)35-24-44(25-48)17-18-46(59-35,62-44)36-12-15-42(5,60-36)22-27(2)20-26/h9-10,20,27-29,31-40,48,50-51,53H,7-8,11-19,21-25H2,1-6H3/b10-9+,26-20+/t27-,28+,29+,31-,32+,33-,34+,35+,36+,37-,38-,39+,40+,42+,43+,44-,45-,46-,47+/m1/s1"	C[C@H]1CCO[C@]([C@H]1O)([C@H]2C[C@H]3[C@@H](O2)/C=C/C(=C/[C@H](C[C@@]4(CC[C@H](O4)[C@@]56CC[C@@](O5)(C[C@H](O6)[C@H]7C(=O)C[C@](O7)([C@H]([C@H]8CC[C@]9(O8)CCC[C@@H](O9)[C@@H](C(=O)O3)C)O)C)CO)C)C)/C)O	KJWMGLBVDNMNQW-KJEHWLPMSA-N
DG62293	"2-(3-methoxyphenyl)-7-methyl-1,8-naphthyridin-4(1H)-one"	5468698	"CHEMBL295117; 2-(3-methoxyphenyl)-7-methyl-1,8-naphthyridin-4(1H)-one; NSC674678; SCHEMBL7925177; BDBM50059117; 1, 2-(3-methoxyphenyl)-7-methyl-; NSC-674678; NCI60_026476; 2-(3-Methoxy-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674678	.	.	.	.	266.29	C16H14N2O2	51.2	407	2.8	20	1	4	2	"InChI=1S/C16H14N2O2/c1-10-6-7-13-15(19)9-14(18-16(13)17-10)11-4-3-5-12(8-11)20-2/h3-9H,1-2H3,(H,17,18,19)"	CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC(=CC=C3)OC	UEXKSRLFFBWLCG-UHFFFAOYSA-N
DG62294	"2-(3-Methoxyphenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one"	5468699	"CHEMBL48472; NSC674679; SCHEMBL7920099; BDBM50059103; NSC-674679; NCI60_026477; 2-(3-Methoxyphenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one; 2-(3-Methoxy-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674679	.	.	.	.	280.32	C17H16N2O2	51.2	435	3.2	21	1	4	2	"InChI=1S/C17H16N2O2/c1-10-7-11(2)18-17-16(10)15(20)9-14(19-17)12-5-4-6-13(8-12)21-3/h4-9H,1-3H3,(H,18,19,20)"	CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC(=CC=C3)OC)C	YKYNUSIUKQDIRP-UHFFFAOYSA-N
DG62295	Methyl (4-methyl-3-oxo-5-phenyl-2(3H)-furanylidene)acetate	5468708	"NSC674913; BRN 5275169; CHEMBL1973206; Methyl (4-methyl-3-oxo-5-phenyl-2(3H)-furanylidene)acetate; Acetic acid, (4-methyl-3-oxo-5-phenyl-2(3H)-furanylidene)-, methyl ester; NSC-674913; 97180-83-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674913	.	.	.	.	244.24	C14H12O4	52.6	425	2.2	18	0	4	3	"InChI=1S/C14H12O4/c1-9-13(16)11(8-12(15)17-2)18-14(9)10-6-4-3-5-7-10/h3-8H,1-2H3/b11-8+"	CC1=C(O/C(=C/C(=O)OC)/C1=O)C2=CC=CC=C2	AVZXCWLODRSIHQ-DHZHZOJOSA-N
DG62296	(2E)-4-bromo-2-[2-(4-bromophenyl)-2-oxoethylidene]-5-phenylfuran-3-one	5468710	NSC674915; CHEMBL2000897; NSC-674915	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674915	.	.	.	.	434.1	C18H10Br2O3	43.4	551	4.9	23	0	3	3	InChI=1S/C18H10Br2O3/c19-13-8-6-11(7-9-13)14(21)10-15-17(22)16(20)18(23-15)12-4-2-1-3-5-12/h1-10H/b15-10+	C1=CC=C(C=C1)C2=C(C(=O)/C(=C\\C(=O)C3=CC=C(C=C3)Br)/O2)Br	IGZKPEHONHSLAT-XNTDXEJSSA-N
DG62297	(2E)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-(4-methylphenyl)furan-3-one	5468711	NSC674917; CHEMBL1974606; NSC-674917	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674917	.	.	.	.	324.8	C19H13ClO3	43.4	533	4.3	23	0	3	3	"InChI=1S/C19H13ClO3/c1-12-2-4-14(5-3-12)18-11-17(22)19(23-18)10-16(21)13-6-8-15(20)9-7-13/h2-11H,1H3/b19-10+"	CC1=CC=C(C=C1)C2=CC(=O)/C(=C\\C(=O)C3=CC=C(C=C3)Cl)/O2	VDQUATUUGBDUCI-VXLYETTFSA-N
DG62298	"methyl (2E)-2-[5-(2,4-dimethylphenyl)-3-oxofuran-2-ylidene]acetate"	5468712	NSC674918; CHEMBL1971619; NSC-674918	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674918	.	.	.	.	258.269	C15H14O4	52.6	447	2.6	19	0	4	3	"InChI=1S/C15H14O4/c1-9-4-5-11(10(2)6-9)13-7-12(16)14(19-13)8-15(17)18-3/h4-8H,1-3H3/b14-8+"	CC1=CC(=C(C=C1)C2=CC(=O)/C(=C\\C(=O)OC)/O2)C	XMPDXVCFQSDAOS-RIYZIHGNSA-N
DG62299	"2-(2-(4-Bromophenyl)-2-oxoethylidene)-5-(2,4-dimethylphenyl)-3(2H)-furanone"	5468713	"NSC674919; CHEMBL2000388; NIOSH/LU3479440; Furan-3(2H)-one,4-dimethylphenyl)-; NSC-674919; LU34794400; 2-(2-(4-Bromophenyl)-2-oxoethylidene)-5-(2,4-dimethylphenyl)-3(2H)-furanone; 3(2H)-Furanone, 2-(2-(4-bromophenyl)-2-oxoethylidene)-5-(2,4-dimethylphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674919	.	.	.	.	383.2	C20H15BrO3	43.4	569	4.7	24	0	3	3	"InChI=1S/C20H15BrO3/c1-12-3-8-16(13(2)9-12)19-11-18(23)20(24-19)10-17(22)14-4-6-15(21)7-5-14/h3-11H,1-2H3/b20-10+"	CC1=CC(=C(C=C1)C2=CC(=O)/C(=C\\C(=O)C3=CC=C(C=C3)Br)/O2)C	UFMBMHFRHBOKNN-KEBDBYFISA-N
DG62300	"(2E)-2-(indan-5-ylmethylene)-3,5,6,7-tetrahydro-s-indacen-1-one"	5468714	"NSC674946; CHEMBL2002703; ZINC1645335; NSC-674946; (2E)-2-(indan-5-ylmethylene)-3,5,6,7-tetrahydro-s-indacen-1-one; 2-(2,3-Dihydro-1H-inden-5-ylmethylene)-3,5,6,7-tetrahydro-s-indacen-1(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674946	.	.	.	.	300.4	C22H20O	17.1	518	5.5	23	0	1	1	"InChI=1S/C22H20O/c23-22-20(10-14-7-8-15-3-1-4-16(15)9-14)12-19-11-17-5-2-6-18(17)13-21(19)22/h7-11,13H,1-6,12H2/b20-10+"	C1CC2=C(C1)C=C(C=C2)/C=C/3\\CC4=C(C3=O)C=C5CCCC5=C4	POGGKAOBPMQTJO-KEBDBYFISA-N
DG62301	"(2S)-2alpha-(3,4-Dihydroxyphenyl)-3beta-(methoxycarbonyl)-7-hydroxy-2,3-dihydrobenzofuran-5-acrylic acid methyl ester"	5468717	"NSC675003; CHEMBL1989732; NSC-675003; (2S)-2alpha-(3,4-Dihydroxyphenyl)-3beta-(methoxycarbonyl)-7-hydroxy-2,3-dihydrobenzofuran-5-acrylic acid methyl ester; 2alpha-(3,4-Dihydroxyphenyl)-5-[(E)-3-oxo-3-methoxy-1-propenyl]-7-hydroxy-2,3-dihydrobenzofuran-3beta-carboxylic acid methyl ester; Benzofuran-3-carboxylic acid,3-dihydro-7-hydroxy- 2-(3,4-dihydroxyphenyl)-5-(3-methoxy-3-oxo-1-propen-1-yl)-, methyl ester, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675003	.	.	.	.	386.4	C20H18O8	123	605	2.2	28	3	8	6	"InChI=1S/C20H18O8/c1-26-16(24)6-3-10-7-12-17(20(25)27-2)18(28-19(12)15(23)8-10)11-4-5-13(21)14(22)9-11/h3-9,17-18,21-23H,1-2H3/b6-3+/t17-,18+/m0/s1"	COC(=O)/C=C/C1=CC2=C(C(=C1)O)O[C@@H]([C@H]2C(=O)OC)C3=CC(=C(C=C3)O)O	HDONJQIYHGHIJV-KCILRPRFSA-N
DG62302	"2alpha-(4-Hydroxyphenyl)-5-[(E)-3-oxo-3-methoxy-1-propenyl]-2,3-dihydrobenzofuran-3beta-carboxylic acid methyl ester"	5468718	"NSC675006; CHEMBL1989973; NSC-675006; 2alpha-(4-Hydroxyphenyl)-5-[(E)-3-oxo-3-methoxy-1-propenyl]-2,3-dihydrobenzofuran-3beta-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675006	.	.	.	.	354.4	C20H18O6	82.1	536	2.9	26	1	6	6	"InChI=1S/C20H18O6/c1-24-17(22)10-4-12-3-9-16-15(11-12)18(20(23)25-2)19(26-16)13-5-7-14(21)8-6-13/h3-11,18-19,21H,1-2H3/b10-4+/t18-,19+/m0/s1"	COC(=O)/C=C/C1=CC2=C(C=C1)O[C@@H]([C@H]2C(=O)OC)C3=CC=C(C=C3)O	OHPHDTVMEYVQCA-NSEXEMKPSA-N
DG62303	Rietone 1	5468719	"Rietone 1; NSC675010; CHEMBL2005428; NSC-675010; Methyl (2,5-dihydroxy-4-(8-hydroxy-3,7,11-trimethyl-9-oxo-2,6,10-dodecatrienyl)phenyl)acetate; methyl 2-[2,5-dihydroxy-4-[(2E,6E)-8-hydroxy-3,7,11-trimethyl-9-oxo-dodeca-2,6,10-trienyl]phenyl]acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675010	.	.	.	.	416.5	C24H32O6	104	671	4.9	30	3	6	11	"InChI=1S/C24H32O6/c1-15(2)11-22(27)24(29)17(4)8-6-7-16(3)9-10-18-12-21(26)19(13-20(18)25)14-23(28)30-5/h8-9,11-13,24-26,29H,6-7,10,14H2,1-5H3/b16-9+,17-8+"	CC(=CC(=O)C(/C(=C/CC/C(=C/CC1=CC(=C(C=C1O)CC(=O)OC)O)/C)/C)O)C	BMWQZICHUPZIIN-AAZCYQLISA-N
DG62304	"2-(1-Naphthyl)-7-methyl-1,8-naphthyridin-4(1H)-one"	5468780	"CHEMBL52342; NSC676183; SCHEMBL7913616; ZINC6488318; BDBM50059966; NSC-676183; NCI60_026910; 2-(1-Naphthyl)-7-methyl-1,8-naphthyridin-4(1H)-one; 7-Methyl-2-naphthalen-1-yl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676183	.	.	.	.	286.3	C19H14N2O	42	472	4.1	22	1	3	1	"InChI=1S/C19H14N2O/c1-12-9-10-16-18(22)11-17(21-19(16)20-12)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H,20,21,22)"	CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=CC4=CC=CC=C43	OKZRVQQAEAXGHY-UHFFFAOYSA-N
DG62305	"2-(1-Naphthyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one"	5468781	"CHEMBL49835; NSC676184; SCHEMBL7920462; BDBM50059978; NSC-676184; NCI60_026911; 2-(1-Naphthyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one; 5,7-Dimethyl-2-naphthalen-1-yl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676184	.	.	.	.	300.4	C20H16N2O	42	500	4.5	23	1	3	1	"InChI=1S/C20H16N2O/c1-12-10-13(2)21-20-19(12)18(23)11-17(22-20)16-9-5-7-14-6-3-4-8-15(14)16/h3-11H,1-2H3,(H,21,22,23)"	CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC=CC4=CC=CC=C43)C	OKROBUVTAGQCKV-UHFFFAOYSA-N
DG62306	"7-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one"	5468782	"CHEMBL45620; NSC676188; 7-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one; SCHEMBL7920165; ZINC6491122; BDBM50059974; NSC-676188; NCI60_026915; 2-(3-Methylphenyl)-7-methyl-1,8-naphthyridin-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676188	.	.	.	.	250.29	C16H14N2O	42	390	3.2	19	1	3	1	"InChI=1S/C16H14N2O/c1-10-4-3-5-12(8-10)14-9-15(19)13-7-6-11(2)17-16(13)18-14/h3-9H,1-2H3,(H,17,18,19)"	CC1=CC(=CC=C1)C2=CC(=O)C3=C(N2)N=C(C=C3)C	WHANICGPAJMUTA-UHFFFAOYSA-N
DG62307	"2-(3-Methylphenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one"	5468783	"CHEMBL102019; NSC676189; SCHEMBL7921784; ZINC6491121; BDBM50471352; NSC-676189; NCI60_026916; 2-(3-Methylphenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676189	.	.	.	.	264.32	C17H16N2O	42	417	3.6	20	1	3	1	"InChI=1S/C17H16N2O/c1-10-5-4-6-13(7-10)14-9-15(20)16-11(2)8-12(3)18-17(16)19-14/h4-9H,1-3H3,(H,18,19,20)"	CC1=CC(=CC=C1)C2=CC(=O)C3=C(N2)N=C(C=C3C)C	RXJJJRMOQDHINF-UHFFFAOYSA-N
DG62308	"2-(3-Fluorophenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one"	5468785	"CHEMBL295291; NSC676192; SCHEMBL7925116; BDBM50059975; NSC-676192; NCI60_026919; 2-(3-Fluorophenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one; 2-(3-Fluoro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676192	.	.	.	.	268.28	C16H13FN2O	42	423	3.3	20	1	4	1	"InChI=1S/C16H13FN2O/c1-9-6-10(2)18-16-15(9)14(20)8-13(19-16)11-4-3-5-12(17)7-11/h3-8H,1-2H3,(H,18,19,20)"	CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC(=CC=C3)F)C	JNJKKBAULISGAT-UHFFFAOYSA-N
DG62309	"5-Pyrimidinecarboxaldehyde, 2-amino-4-chloro-6-[[1-(hydroxymethyl)-3-(1-methylethyl)cyclobutyl]methylamino]-, oxime"	5468792	"NSC676375; (5E)-2-amino-4-chloro-6-[[1-(hydroxymethyl)-3-isopropyl-cyclobutyl]methylamino]pyrimidine-5-carbaldehyde oxime; 5-Pyrimidinecarboxaldehyde, 2-amino-4-chloro-6-[[1-(hydroxymethyl)-3-(1-methylethyl)cyclobutyl]methylamino]-, oxime"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676375	.	.	.	.	327.81	C14H22ClN5O2	117	389	2.9	22	4	7	6	"InChI=1S/C14H22ClN5O2/c1-8(2)9-3-14(4-9,7-21)6-17-12-10(5-18-22)11(15)19-13(16)20-12/h5,8-9,21-22H,3-4,6-7H2,1-2H3,(H3,16,17,19,20)/b18-5+"	CC(C)C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)/C=N/O)CO	NAKRZPMOOYHCAO-BLLMUTORSA-N
DG62310	NSC676830	5468818	"[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,5R,6S,9S,12R,13S,14S,18R,19R,21R,22R)-21,27,28,29,32,33,34-heptahydroxy-1-(hydroxymethyl)-5,6,12,13,19-pentamethyl-24,37-dioxo-23,38-dioxaoctacyclo[20.17.0.02,19.05,18.06,15.09,14.025,30.031,36]nonatriaconta-15,25,27,29,31,33,35-heptaene-9-carboxylate; NSC676830; CHEMBL1990853; NSC-676830; NCI60_027277"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676830	.	.	.	.	969	C50H64O19	331	2020	4.2	69	12	19	5	"InChI=1S/C50H64O19/c1-20-8-11-49(45(65)69-44-40(62)39(61)36(58)28(17-51)67-44)13-12-47(4)24(33(49)21(20)2)6-7-29-46(3)16-27(55)41-50(18-52,30(46)9-10-48(29,47)5)19-66-42(63)22-14-25(53)34(56)37(59)31(22)32-23(43(64)68-41)15-26(54)35(57)38(32)60/h6,14-15,20-21,27-30,33,36,39-41,44,51-62H,7-13,16-19H2,1-5H3/t20-,21+,27-,28 ,29-,30-,33+,36 ,39 ,40 ,41+,44 ,46-,47-,48-,49+,50-/m1/s1"	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]6[C@@]5(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)CO)O)C)C)[C@@H]2[C@H]1C)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O	GEPCFINLGINXJO-LJFZIKNYSA-N
DG62311	"(2E)-1-(benzenesulfonyl)-2-[(4-nitrophenyl)methylene]pyrrolo[2,3-b]pyridin-3-one"	5468824	"NSC676870; CHEMBL1992806; NSC-676870; (2E)-1-(benzenesulfonyl)-2-[(4-nitrophenyl)methylene]pyrrolo[2,3-b]pyridin-3-one; 1-Phenylsulfonyl-2-(4-nitrobenzylidene)-1,2-dihydro-3H-pyrrolo[2,3-b]pyridin-3-one; 2-(4-(Hydroxy(oxido)amino)benzylidene)-1-(phenylsulfonyl)-1,2-dihydro-3H-pyrrolo[2,3-b]pyridin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676870	.	.	.	.	407.4	C20H13N3O5S	122	771	3.4	29	0	7	3	"InChI=1S/C20H13N3O5S/c24-19-17-7-4-12-21-20(17)22(29(27,28)16-5-2-1-3-6-16)18(19)13-14-8-10-15(11-9-14)23(25)26/h1-13H/b18-13+"	C1=CC=C(C=C1)S(=O)(=O)N2/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)C4=C2N=CC=C4	UXRPJBWVWOOVKV-QGOAFFKASA-N
DG62312	"1, Acanthifolicin deriv."	5468826	"okadaic acid; 78111-17-8; 1, acanthifolicin deriv.; CHEMBL2006105; NSC677083; NSC-677083; Spiro[furan-2(3H),2-b]pyran], acanthifolicin deriv,"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677083	.	.	.	.	805	C44H68O13	183	1520	3.4	57	5	13	10	"InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27 ,28+,30 ,31+,32 ,33-,34 ,35 ,36-,37 ,38 ,39 ,41+,42+,43 ,44 /m1/s1"	CC1CC[C@]2(CCCCO2)OC1[C@@H](C)CC(C3C(=C)[C@H](C4[C@H](O3)CCC5(O4)CCC(O5)/C=C/[C@@H](C)C6CC(=CC7(O6)C(CC[C@H](O7)C[C@@](C)(C(=O)O)O)O)C)O)O	QNDVLZJODHBUFM-IHRYTRHCSA-N
DG62313	"(6Z)-6-(2-furylmethylene)-5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one"	5468829	"NSC677208; CHEMBL1974592; STK018642; ZINC30819142; AKOS005378336; NSC-677208; (6Z)-6-(2-furylmethylene)-5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one; (6Z)-6-(furan-2-ylmethylidene)-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one; 6-(2-Furylmethylene)-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677208	.	.	.	.	260.269	C11H8N4O2S	107	523	1.4	18	1	5	1	"InChI=1S/C11H8N4O2S/c1-6-14-15-9(12)8(5-7-3-2-4-17-7)10(16)13-11(15)18-6/h2-5,12H,1H3/b8-5-,12-9 "	CC1=NN2C(=N)/C(=C/C3=CC=CO3)/C(=O)N=C2S1	MHYQOSCGHVQZFL-GPSNRAOPSA-N
DG62314	Saponaceolide B	5468843	Saponaceolide B; NSC677576; CHEMBL1981574; NSC-677576	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677576	.	.	.	.	502.7	C30H46O6	74.2	936	5	36	1	6	5	"InChI=1S/C30H46O6/c1-20-7-10-23(26(2,3)24(20)12-9-22-14-18-33-25(22)31)11-8-21-13-15-30(34-19-21)28(6)16-17-29(32,36-30)27(4,5)35-28/h9,21,23-24,32H,1,7-8,10-19H2,2-6H3/b22-9+/t21 ,23-,24-,28+,29+,30 /m0/s1"	C[C@]12CC[C@](C(O1)(C)C)(OC23CCC(CO3)CC[C@@H]4CCC(=C)[C@@H](C4(C)C)C/C=C/5\\CCOC5=O)O	SCWVCRCOVNDPJB-REYSLUJISA-N
DG62315	"3-[(2,4-Dimethoxy-5-pyrimidinyl)methylene]isobenzofuran-1(3H)-one"	5468846	"NSC677621; CHEMBL1976642; NSC-677621; 3-((2,4-Dimethoxy-5-pyrimidinyl)methylene)-2-benzofuran-1(3H)-one; 3-[(2,4-Dimethoxy-5-pyrimidinyl)methylene]isobenzofuran-1(3H)-one; (3Z)-3-[(2,4-dimethoxypyrimidin-5-yl)methylene]isobenzofuran-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677621	.	.	.	.	284.27	C15H12N2O4	70.5	426	2.4	21	0	6	3	"InChI=1S/C15H12N2O4/c1-19-13-9(8-16-15(17-13)20-2)7-12-10-5-3-4-6-11(10)14(18)21-12/h3-8H,1-2H3/b12-7-"	COC1=NC(=NC=C1/C=C\\2/C3=CC=CC=C3C(=O)O2)OC	CMNMPKRDOUHXQU-GHXNOFRVSA-N
DG62316	"S-methyl (2Z)-2-[(5Z)-5-(2-methylsulfanyl-2-oxo-ethylidene)-1,2,4-trithiolan-3-ylidene]ethanethioate"	5468853	"NSC677907; CHEMBL1978806; NSC-677907; Ethanethioic acid,2'-(1,2,4-trithiolan- 3,5-diylidene)bis-, S-methyl ester; Ethanethioic acid, 2,2'-(1,2,4-trithiolane-3,5-diylidene)bis-, S,S'-dimethyl ester, (2Z,2'Z)-; S-methyl (2Z)-2-[(5Z)-5-(2-methylsulfanyl-2-oxo-ethylidene)-1,2,4-trithiolan-3-ylidene]ethanethioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677907	.	.	.	.	296.5	C8H8O2S5	161	302	2.5	15	0	7	4	"InChI=1S/C8H8O2S5/c1-11-5(9)3-7-13-8(15-14-7)4-6(10)12-2/h3-4H,1-2H3/b7-3-,8-4-"	CSC(=O)/C=C/1\\SS/C(=C\\C(=O)SC)/S1	AKKALYDXRQVGOK-VHOZIDCHSA-N
DG62317	Methyl (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)furanylidene)acetate	5468858	"NSC677935; Methyl (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)furanylidene)acetate; Acetic acid, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)furanylidene)-, methyl ester; CHEMBL1979453; NSC-677935; 139266-41-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677935	.	.	.	.	278.69	C14H11ClO4	52.6	456	3	19	0	4	3	"InChI=1S/C14H11ClO4/c1-8-3-5-9(6-4-8)14-12(15)13(17)10(19-14)7-11(16)18-2/h3-7H,1-2H3/b10-7+"	CC1=CC=C(C=C1)C2=C(C(=O)/C(=C\\C(=O)OC)/O2)Cl	IDLLDXHXWHEWIC-JXMROGBWSA-N
DG62318	Methyl (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)acetate	5468859	"NSC677936; Methyl (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)acetate; Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester; CHEMBL1978049; ZINC1647051; NSC-677936; 139266-40-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677936	.	.	.	.	388.01	C13H8Br2O4	52.6	459	3.4	19	0	4	3	"InChI=1S/C13H8Br2O4/c1-18-10(16)6-9-12(17)11(15)13(19-9)7-2-4-8(14)5-3-7/h2-6H,1H3/b9-6+"	COC(=O)/C=C/1\\C(=O)C(=C(O1)C2=CC=C(C=C2)Br)Br	LCTJQDQRNLRXMB-RMKNXTFCSA-N
DG62319	Methyl (4-chloro-5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)acetate	5468860	"NSC677937; Methyl (4-chloro-5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)acetate; Acetic acid, (4-chloro-5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester; CHEMBL1983998; ZINC17260401; NSC-677937; 139266-42-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677937	.	.	.	.	294.68	C14H11ClO5	61.8	472	2.6	20	0	5	4	"InChI=1S/C14H11ClO5/c1-18-9-5-3-8(4-6-9)14-12(15)13(17)10(20-14)7-11(16)19-2/h3-7H,1-2H3/b10-7+"	COC1=CC=C(C=C1)C2=C(C(=O)/C(=C\\C(=O)OC)/O2)Cl	SLDQNGPWFHMXHZ-JXMROGBWSA-N
DG62320	methyl (2E)-2-(4-chloro-3-oxo-5-phenylfuran-2-ylidene)acetate	5468861	NSC677938; CHEMBL1980405; NSC-677938	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677938	.	.	.	.	264.66	C13H9ClO4	52.6	430	2.7	18	0	4	3	"InChI=1S/C13H9ClO4/c1-17-10(15)7-9-12(16)11(14)13(18-9)8-5-3-2-4-6-8/h2-7H,1H3/b9-7+"	COC(=O)/C=C/1\\C(=O)C(=C(O1)C2=CC=CC=C2)Cl	FQFSASVRBKROFW-VQHVLOKHSA-N
DG62321	Inolene	5468862	Inolene; SCHEMBL6066132; NSC678000; NSC-678000	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678000	.	.	.	.	332.4	C20H28O4	44.8	594	3.1	24	0	4	0	"InChI=1S/C20H28O4/c1-11-6-5-7-12(2)17-18-14(13(3)19(21)23-18)10-16(22-17)20(4)9-8-15(11)24-20/h6,12,14-18H,3,5,7-10H2,1-2,4H3/b11-6+/t12-,14+,15+,16+,17+,18-,20-/m1/s1"	C[C@@H]1CC/C=C(/[C@@H]2CC[C@@](O2)([C@@H]3C[C@@H]4[C@H]([C@H]1O3)OC(=O)C4=C)C)\\C	HRHWPMPIBMXXDZ-ASTUYBFISA-N
DG62322	"3-(2,6-Dimethoxybenzylidene)-4-methoxy-2-benzofuran-1(3H)-one"	5468869	"NSC678143; CHEMBL1970057; NSC-678143; 3-(2,6-Dimethoxybenzylidene)-4-methoxy-2-benzofuran-1(3H)-one; (3Z)-3-[(2,6-dimethoxyphenyl)methylene]-4-methoxy-isobenzofuran-1-one; 3-[(Z)-(2,6-Dimethoxyphenyl)methylene]-4-methoxyisobenzofuran-1(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678143	.	.	.	.	312.3	C18H16O5	54	448	3.4	23	0	5	4	"InChI=1S/C18H16O5/c1-20-13-7-5-8-14(21-2)12(13)10-16-17-11(18(19)23-16)6-4-9-15(17)22-3/h4-10H,1-3H3/b16-10-"	COC1=C(C(=CC=C1)OC)/C=C\\2/C3=C(C=CC=C3OC)C(=O)O2	QWVIZGZSFKXYGN-YBEGLDIGSA-N
DG62323	"2-[(E)-4-bromobut-2-enyl]-1,2,4-triazine-3,5-dione"	5468889	NSC678979; CHEMBL1971284; NSC-678979	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678979	.	.	.	.	246.06	C7H8BrN3O2	61.8	275	0.3	13	1	3	3	"InChI=1S/C7H8BrN3O2/c8-3-1-2-4-11-7(13)10-6(12)5-9-11/h1-2,5H,3-4H2,(H,10,12,13)/b2-1+"	C1=NN(C(=O)NC1=O)C/C=C/CBr	SPWQUMPEBWFHEC-OWOJBTEDSA-N
DG62324	"6-bromo-2-[(E)-4-bromobut-2-enyl]-1,2,4-triazine-3,5-dione"	5468896	NSC678986; CHEMBL2005367; NSC-678986	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678986	.	.	.	.	324.96	C7H7Br2N3O2	61.8	314	1.5	14	1	3	3	"InChI=1S/C7H7Br2N3O2/c8-3-1-2-4-12-7(14)10-6(13)5(9)11-12/h1-2H,3-4H2,(H,10,13,14)/b2-1+"	C(/C=C/CBr)N1C(=O)NC(=O)C(=N1)Br	PNIDXIJDDRAAQT-OWOJBTEDSA-N
DG62325	"Uracil,2-bis(ethoxycarbonyl)ethenyl]-, cis-"	5468899	"CHEMBL2006799; ZINC5541402; NSC678989; NSC-678989; Uracil,2-bis(ethoxycarbonyl)ethenyl]-, cis-; 2-Butenedioic acid,4-dioxopyrimidin-1-yl)-,diethyl ester, (Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678989	.	.	.	.	282.25	C12H14N2O6	102	494	0	20	1	6	7	"InChI=1S/C12H14N2O6/c1-3-19-10(16)7-8(11(17)20-4-2)14-6-5-9(15)13-12(14)18/h5-7H,3-4H2,1-2H3,(H,13,15,18)/b8-7-"	CCOC(=O)/C=C(/C(=O)OCC)\\N1C=CC(=O)NC1=O	XYMMVIVREVUTSP-FPLPWBNLSA-N
DG62326	"diethyl (E)-2-(2,4-dioxopyrimidin-1-yl)but-2-enedioate"	5468900	NSC678990; CHEMBL1987467; ZINC16958833; NSC-678990	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678990	.	.	.	.	282.25	C12H14N2O6	102	494	0	20	1	6	7	"InChI=1S/C12H14N2O6/c1-3-19-10(16)7-8(11(17)20-4-2)14-6-5-9(15)13-12(14)18/h5-7H,3-4H2,1-2H3,(H,13,15,18)/b8-7+"	CCOC(=O)/C=C(\\C(=O)OCC)/N1C=CC(=O)NC1=O	XYMMVIVREVUTSP-BQYQJAHWSA-N
DG62327	diethyl (E)-2-(4-amino-2-oxopyrimidin-1-yl)but-2-enedioate	5468902	CHEMBL1983139; NSC678993; NSC-678993	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678993	.	.	.	.	281.26	C12H15N3O5	111	507	-0.3	20	1	5	7	"InChI=1S/C12H15N3O5/c1-3-19-10(16)7-8(11(17)20-4-2)15-6-5-9(13)14-12(15)18/h5-7H,3-4H2,1-2H3,(H2,13,14,18)/b8-7+"	CCOC(=O)/C=C(\\C(=O)OCC)/N1C=CC(=NC1=O)N	SWNPGNFPLOOVBG-BQYQJAHWSA-N
DG62328	"2-Butenedioic acid, diethylester, (E)-"	5468903	"NSC678994; CHEMBL1996310; ZINC16958834; NSC-678994; 2-Butenedioic acid, diethylester, (E)-; Adenine,2-bis(ethoxycarbonyl)ethenyl]-, trans-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678994	.	.	.	.	305.29	C13H15N5O4	122	456	0.6	22	1	8	7	"InChI=1S/C13H15N5O4/c1-3-21-9(19)5-8(13(20)22-4-2)18-7-17-10-11(14)15-6-16-12(10)18/h5-7H,3-4H2,1-2H3,(H2,14,15,16)/b8-5+"	CCOC(=O)/C=C(\\C(=O)OCC)/N1C=NC2=C(N=CN=C21)N	RXMVDZXOYSVTIX-VMPITWQZSA-N
DG62329	"2-Butenedioic acid,4-dioxopyrimidin-1-yl-, diethyl ester, (E)-"	5468904	"NSC679001; CHEMBL1993667; ZINC5541443; NSC-679001; 2-Butenedioic acid,4-dioxopyrimidin-1-yl-, diethyl ester, (E)-; Uracil,2-bis(ethoxycarbonyl)ethenyl]-3-[(ethoxy-carbonyl)methyl]-, trans-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679001	.	.	.	.	368.34	C16H20N2O8	120	653	0.5	26	0	8	11	"InChI=1S/C16H20N2O8/c1-4-24-13(20)9-11(15(22)26-6-3)17-8-7-12(19)18(16(17)23)10-14(21)25-5-2/h7-9H,4-6,10H2,1-3H3/b11-9+"	CCOC(=O)CN1C(=O)C=CN(C1=O)/C(=C/C(=O)OCC)/C(=O)OCC	RPACIQPWGRDKMR-PKNBQFBNSA-N
DG62330	"2-Butenedioic acid,4-dioxopyrimidin-1-yl]-, diethyl ester, cis-"	5468905	"CHEMBL1984813; ZINC5541445; NSC679002; NSC-679002; 2-Butenedioic acid,4-dioxopyrimidin-1-yl]-, diethyl ester, cis-; Uracil,2-bis(ethoxycarbonyl)ethenyl]-3-[(ethoxy-carbonyl)methyl]-, cis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679002	.	.	.	.	368.34	C16H20N2O8	120	653	0.5	26	0	8	11	"InChI=1S/C16H20N2O8/c1-4-24-13(20)9-11(15(22)26-6-3)17-8-7-12(19)18(16(17)23)10-14(21)25-5-2/h7-9H,4-6,10H2,1-3H3/b11-9-"	CCOC(=O)CN1C(=O)C=CN(C1=O)/C(=C\\C(=O)OCC)/C(=O)OCC	RPACIQPWGRDKMR-LUAWRHEFSA-N
DG62331	"Uracil,2-bis(ethoxycarbonyl)ethenyl]-3-(2-propenyl)-, trans"	5468906	"NSC679003; CHEMBL1999062; ZINC5541447; NSC-679003; Uracil,2-bis(ethoxycarbonyl)ethenyl]-3-(2-propenyl)-, trans; 2-Butenedioic acid,4-dioxo-pyrimidin-1-yl]-, diethyl ester, (E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679003	.	.	.	.	322.31	C15H18N2O6	93.2	579	0.8	23	0	6	9	"InChI=1S/C15H18N2O6/c1-4-8-17-12(18)7-9-16(15(17)21)11(14(20)23-6-3)10-13(19)22-5-2/h4,7,9-10H,1,5-6,8H2,2-3H3/b11-10+"	CCOC(=O)/C=C(\\C(=O)OCC)/N1C=CC(=O)N(C1=O)CC=C	HGLPMBDVMXOGKQ-ZHACJKMWSA-N
DG62332	"diethyl (E)-2-(5-methyl-2,4-dioxo-3-prop-2-enylpyrimidin-1-yl)but-2-enedioate"	5468907	NSC679004; CHEMBL1968659; NSC-679004	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679004	.	.	.	.	336.34	C16H20N2O6	93.2	620	1.2	24	0	6	9	"InChI=1S/C16H20N2O6/c1-5-8-17-14(20)11(4)10-18(16(17)22)12(15(21)24-7-3)9-13(19)23-6-2/h5,9-10H,1,6-8H2,2-4H3/b12-9+"	CCOC(=O)/C=C(\\C(=O)OCC)/N1C=C(C(=O)N(C1=O)CC=C)C	INJQKIUGLGZYOW-FMIVXFBMSA-N
DG62333	"2-(2-Naphthyl)-7-methyl-1,8-naphthyridin-4(1H)-one"	5468908	"CHEMBL48779; NSC679020; SCHEMBL7920130; ZINC6488312; BDBM50059967; NSC-679020; NCI60_028219; 2-(2-Naphthyl)-7-methyl-1,8-naphthyridin-4(1H)-one; 7-Methyl-2-naphthalen-2-yl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679020	.	.	.	.	286.3	C19H14N2O	42	472	4.1	22	1	3	1	"InChI=1S/C19H14N2O/c1-12-6-9-16-18(22)11-17(21-19(16)20-12)15-8-7-13-4-2-3-5-14(13)10-15/h2-11H,1H3,(H,20,21,22)"	CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC4=CC=CC=C4C=C3	DLKWDNZHLDGWPT-UHFFFAOYSA-N
DG62334	"2-(2-Naphthyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one"	5468909	"CHEMBL440887; NSC679021; SCHEMBL8107995; BDBM50471353; NSC-679021; NCI60_028220; 2-(2-Naphthyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679021	.	.	.	.	300.4	C20H16N2O	42	500	4.5	23	1	3	1	"InChI=1S/C20H16N2O/c1-12-9-13(2)21-20-19(12)18(23)11-17(22-20)16-8-7-14-5-3-4-6-15(14)10-16/h3-11H,1-2H3,(H,21,22,23)"	CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC4=CC=CC=C4C=C3)C	BIJWLTRMYLRXEA-UHFFFAOYSA-N
DG62335	"2-(4-Chloro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one"	5468913	"CHEMBL75041; NSC679033; SCHEMBL7920177; BDBM50059096; NSC-679033; NCI60_028232; 2-(4-Chloro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679033	.	.	.	.	284.74	C16H13ClN2O	42	415	3.8	20	1	3	1	"InChI=1S/C16H13ClN2O/c1-9-7-10(2)18-16-15(9)14(20)8-13(19-16)11-3-5-12(17)6-4-11/h3-8H,1-2H3,(H,18,19,20)"	CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC=C(C=C3)Cl)C	HGJHIFICDQOWJV-UHFFFAOYSA-N
DG62336	"2-(3-Chlorophenyl)-7-methyl-1,8-naphthyridin-4(1H)-one"	5468914	"CHEMBL51139; NSC679037; SCHEMBL7920477; 1, 2-(3-chlorophenyl)-7-methyl-; BDBM50059960; ZINC18207483; NSC-679037; NCI60_028236; 2-(3-Chloro-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one; 2-(3-Chlorophenyl)-7-methyl-1,8-naphthyridin-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679037	.	.	.	.	270.71	C15H11ClN2O	42	396	3.5	19	1	3	1	"InChI=1S/C15H11ClN2O/c1-9-5-6-12-14(19)8-13(18-15(12)17-9)10-3-2-4-11(16)7-10/h2-8H,1H3,(H,17,18,19)"	CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC(=CC=C3)Cl	NLUIDPUCPOHWAM-UHFFFAOYSA-N
DG62337	"2-(3-Chlorophenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one"	5468915	"CHEMBL51408; NSC679038; SCHEMBL7921847; BDBM50059976; NSC-679038; NCI60_028237; 1, 2-(3-chlorophenyl)- 5,7-dimethyl-; 2-(3-Chlorophenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one; 2-(3-Chloro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679038	.	.	.	.	284.74	C16H13ClN2O	42	423	3.8	20	1	3	1	"InChI=1S/C16H13ClN2O/c1-9-6-10(2)18-16-15(9)14(20)8-13(19-16)11-4-3-5-12(17)7-11/h3-8H,1-2H3,(H,18,19,20)"	CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC(=CC=C3)Cl)C	NOFNRYRLTLGEFI-UHFFFAOYSA-N
DG62338	5-((5-Bromo-2-thienyl)methylene)-2-thioxo-4-imidazolidinone	5468923	NSC679236; 5-((5-Bromo-2-thienyl)methylene)-2-thioxo-4-imidazolidinone; 5-[(5-bromo-2-thienyl)methylene]-2-thioxo-4-imidazolidinone; CHEMBL1957313; STL170800; ZINC15930280; AKOS005367570; NSC-679236; AK-968/37173229; (5Z)-5-[(5-bromo-2-thienyl)methylene]-2-thioxo-imidazolidin-4-one; (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-thioxoimidazolidin-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679236	.	.	.	.	289.2	C8H5BrN2OS2	102	319	2.4	14	2	3	1	"InChI=1S/C8H5BrN2OS2/c9-6-2-1-4(14-6)3-5-7(12)11-8(13)10-5/h1-3H,(H2,10,11,12,13)/b5-3-"	C1=C(SC(=C1)Br)/C=C\\2/C(=O)NC(=S)N2	QYPWTJFZSHMSHJ-HYXAFXHYSA-N
DG62339	benzyl 1-(benzenesulfonyl)-4-[(E)-2-dimethoxyphosphorylvinyl]pyrrole-2-carboxylate	5468940	"NSC679533; CHEMBL1998373; ZINC1647574; NSC-679533; benzyl 1-(benzenesulfonyl)-4-[(E)-2-dimethoxyphosphorylvinyl]pyrrole-2-carboxylate; 1H-Pyrrole-2-carboxylic acid, 4-[(E)-2-(dimethoxyphosphinyl)ethenyl]-1-(phenylsulfonyl)-, phenylmethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679533	.	.	.	.	475.5	C22H22NO7PS	109	790	3.1	32	0	7	10	"InChI=1S/C22H22NO7PS/c1-28-31(25,29-2)14-13-19-15-21(22(24)30-17-18-9-5-3-6-10-18)23(16-19)32(26,27)20-11-7-4-8-12-20/h3-16H,17H2,1-2H3/b14-13+"	COP(=O)(/C=C/C1=CN(C(=C1)C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)OC	CPEWHUZWBUCGMW-BUHFOSPRSA-N
DG62340	Coronalolide methyl ester	5468948	"Coronalolide methyl ester; 268214-50-2; methyl 3-[(1S,3R,4R,8R,10S,11S,14R,15R)-11,15-dimethyl-5-methylidene-14-[(E,2R)-6-methyl-7-oxohept-5-en-2-yl]-6-oxo-7-oxapentacyclo[8.7.0.01,3.04,8.011,15]heptadecan-3-yl]propanoate; CHEMBL563275; C31H44O5; ZINC5542285; NSC680073; NSC-680073; W2423; methyl 3-[[(E,1R)-1,5-dimethyl-6-oxo-hex-4-enyl]-dimethyl-methylene-oxo-[ ]yl]propanoate; 1H-Cyclopenta[7,8]cyclopropa[4,4a]naphtho[2,3-b]furan-10b(2H)-propanoic acid, 4-[(1R,4E)-1,5-dimethyl-6-oxo-4-hexenyl]dodecahydro-3a,6a-dimethyl-10-methylene-9-oxo-, methyl ester, (1aS,3aR,4R,6aS,6bS,7aR,10aR,10bR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680073	.	.	.	.	496.7	C31H44O5	69.7	1010	6.9	36	0	5	9	"InChI=1S/C31H44O5/c1-19(17-32)8-7-9-20(2)22-10-12-29(5)24-16-23-26(21(3)27(34)36-23)31(13-11-25(33)35-6)18-30(24,31)15-14-28(22,29)4/h8,17,20,22-24,26H,3,7,9-16,18H2,1-2,4-6H3/b19-8+/t20-,22-,23-,24+,26-,28-,29+,30+,31-/m1/s1"	C[C@H](CC/C=C(\\C)/C=O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2C[C@@H]5[C@H]([C@]3(C4)CCC(=O)OC)C(=C)C(=O)O5)C)C	FPFAZZFTBDKRJL-PXERRMOCSA-N
DG62341	"2-Ethoxy-3,17beta-dihydroxy-1,3,5(10)-estratrien-6-one oxime"	5468960	"CHEMBL1627470; NSC680185; MLS002702319; BDBM50471267; NSC-680185; 2-Ethoxy-3,17beta-dihydroxy-1,3,5(10)-estratrien-6-one oxime; Estra-1,5(10)-trien-3,17-diol,2-ethoxy-6-(hydroxyimino)-, (17.beta.)-; Estra-1,5(10)-trien-6-one, 2-ethoxy-3,17-dihydroxy-, oxime, (17.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680185	.	.	.	.	345.4	C20H27NO4	82.3	538	3.4	25	3	5	2	"InChI=1S/C20H27NO4/c1-3-25-18-10-12-11-6-7-20(2)15(4-5-19(20)23)13(11)8-16(21-24)14(12)9-17(18)22/h9-11,13,15,19,22-24H,3-8H2,1-2H3/b21-16-/t11-,13-,15+,19+,20+/m1/s1"	CCOC1=C(C=C2/C(=N\\O)/C[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4O)C)O	SMKGGPJGMFBQDP-ZMMLKIRESA-N
DG62342	"bis(1,7,7-trimethylnorbornan-2-yl) (E)-but-2-enedioate"	5468961	"NSC680223; CHEMBL1998679; SCHEMBL15355416; NSC-680223; bis(1,7,7-trimethylnorbornan-2-yl) (E)-but-2-enedioate; Bis(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl) 2-butenedioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680223	.	.	.	.	388.5	C24H36O4	52.6	660	6.1	28	0	4	6	"InChI=1S/C24H36O4/c1-21(2)15-9-11-23(21,5)17(13-15)27-19(25)7-8-20(26)28-18-14-16-10-12-24(18,6)22(16,3)4/h7-8,15-18H,9-14H2,1-6H3/b8-7+"	CC1(C2CCC1(C(C2)OC(=O)/C=C/C(=O)OC3CC4CCC3(C4(C)C)C)C)C	WNUALMJGGJCCAZ-BQYQJAHWSA-N
DG62343	"phenethyl (E)-3-(2,5-difluorophenyl)prop-2-enoate"	5468962	"NSC680316; phenethyl (E)-3-(2,5-difluorophenyl)prop-2-enoate; CHEMBL1983484; NSC-680316; 2-Phenylethyl 3-(2,5-difluorophenyl)acrylate; 2,5-Difluoro-trans-cinnamic acid phenethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680316	.	.	.	.	288.29	C17H14F2O2	26.3	351	4.4	21	0	4	6	"InChI=1S/C17H14F2O2/c18-15-7-8-16(19)14(12-15)6-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2/b9-6+"	C1=CC=C(C=C1)CCOC(=O)/C=C/C2=C(C=CC(=C2)F)F	OVMWTYMBYHQFMZ-RMKNXTFCSA-N
DG62344	NSC680417	5468967	"[3,4-dihydroxy-5-[4-[[(Z)-octadec-9-enyl]amino]-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate; NSC680417; CHEMBL1976894; NSC-680417"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680417	.	.	.	.	801.8	C36H57FN5O12P	229	1450	3.5	55	6	13	25	"InChI=1S/C36H57FN5O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-38-29-18-20-41(35(47)39-29)34-32(45)31(44)28(53-34)24-51-55(49,50)54-26-21-30(52-27(26)23-43)42-22-25(37)33(46)40-36(42)48/h9-10,18,20,22,26-28,30-32,34,43-45H,2-8,11-17,19,21,23-24H2,1H3,(H,49,50)(H,38,39,47)(H,40,46,48)/b10-9-"	CCCCCCCC/C=C\\CCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OC3CC(OC3CO)N4C=C(C(=O)NC4=O)F)O)O	MRKONKFVAVDXSZ-KTKRTIGZSA-N
DG62345	"Methyl 4-(2-(2,5-dihydroxyphenyl)vinyl)benzoate"	5468975	"NSC680561; CHEMBL1992241; NSC-680561; Methyl 4-(2-(2,5-dihydroxyphenyl)vinyl)benzoate; methyl 4-[(E)-2-(2,5-dihydroxyphenyl)vinyl]benzoate; Benzoic acid,5-dihydroxyphenyl]ethenyl]-, methyl ester, (E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680561	.	.	.	.	270.28	C16H14O4	66.8	344	3.3	20	2	4	4	"InChI=1S/C16H14O4/c1-20-16(19)12-5-2-11(3-6-12)4-7-13-10-14(17)8-9-15(13)18/h2-10,17-18H,1H3/b7-4+"	COC(=O)C1=CC=C(C=C1)/C=C/C2=C(C=CC(=C2)O)O	LGDMRZNFTVQINZ-QPJJXVBHSA-N
DG62346	"12-[2-(Dimethylamino)vinyl]benzo[b]acridine-6,11-dione"	5468976	"NSC680732; CHEMBL362753; NSC-680732; 12-[2-(Dimethylamino)vinyl]benzo[b]acridine-6,11-dione; 12-[(E)-2-(dimethylamino)vinyl]benzo[b]acridine-6,11-dione; Benz[b]acridine-6,11-dione, 12-[(E)-2-(dimethylamino)ethenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680732	.	.	.	.	328.4	C21H16N2O2	50.3	570	4	25	0	4	2	"InChI=1S/C21H16N2O2/c1-23(2)12-11-14-13-7-5-6-10-17(13)22-19-18(14)20(24)15-8-3-4-9-16(15)21(19)25/h3-12H,1-2H3/b12-11+"	CN(C)/C=C/C1=C2C(=NC3=CC=CC=C31)C(=O)C4=CC=CC=C4C2=O	UYOCJURIBHUERU-VAWYXSNFSA-N
DG62347	"11-[2-(Dimethylamino)vinyl]-1,6-diazanaphthacene-5,12-dione"	5468977	"NSC680733; CHEMBL186270; ZINC49933088; NSC-680733; Quino[6,12-dione, 11-[2-(dimethylamino) ethenyl]-; 11-[2-(Dimethylamino)vinyl]-1,6-diazanaphthacene-5,12-dione; 11-[(E)-2-(dimethylamino)vinyl]pyrido[2,3-b]acridine-5,12-dione; Pyrido[2,3-b]acridine-5,12-dione, 11-[(E)-2-(dimethylamino)ethenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680733	.	.	.	.	329.4	C20H15N3O2	63.2	573	3.3	25	0	5	2	"InChI=1S/C20H15N3O2/c1-23(2)11-9-13-12-6-3-4-8-15(12)22-18-16(13)20(25)17-14(19(18)24)7-5-10-21-17/h3-11H,1-2H3/b11-9+"	CN(C)/C=C/C1=C2C(=NC3=CC=CC=C31)C(=O)C4=C(C2=O)N=CC=C4	QMIOVDKIZOSESD-PKNBQFBNSA-N
DG62348	"(4S,8-diacetyloxy-2,6-octadiene"	5468986	"NSC680771; CHEMBL1979518; (4S,8-diacetyloxy-2,6-octadiene; NSC-680771"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680771	.	.	.	.	372.5	C18H32O6Si	82.1	490	.	25	1	6	12	"InChI=1S/C18H32O6Si/c1-14(19)22-12-8-10-16(21)17(11-9-13-23-15(2)20)24-25(6,7)18(3,4)5/h8-11,16-17,21H,12-13H2,1-7H3/b10-8+,11-9+/t16-,17-/m0/s1"	CC(=O)OC/C=C/[C@@H]([C@H](/C=C/COC(=O)C)O[Si](C)(C)C(C)(C)C)O	XRPIUKCIFUBHHO-MORPDLRTSA-N
DG62349	"(2E,4S,5S,6E)-4-Hydroxy-5-[(tert-butyldimethylsilyl)oxy]-2,6-octadienoic acid ethyl ester"	5468988	"NSC680773; Ethyl-(4S,6-octadienoate; CHEMBL1991368; NSC-680773; (2E,4S,5S,6E)-4-Hydroxy-5-[(tert-butyldimethylsilyl)oxy]-2,6-octadienoic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680773	.	.	.	.	314.49	C16H30O4Si	55.8	380	.	21	1	4	9	"InChI=1S/C16H30O4Si/c1-8-10-14(20-21(6,7)16(3,4)5)13(17)11-12-15(18)19-9-2/h8,10-14,17H,9H2,1-7H3/b10-8+,12-11+/t13-,14-/m0/s1"	CCOC(=O)/C=C/[C@@H]([C@H](/C=C/C)O[Si](C)(C)C(C)(C)C)O	SORUWOFRPURMIT-CJVQNTMISA-N
DG62350	"4-[2-(3,6-Dioxo-1,4-cyclohexadienyl)vinyl]benzoic acid methyl ester"	5468990	"NSC680780; CHEMBL2006136; ZINC1857548; NSC-680780; Methyl 4-(2-(3,6-dioxo-1,4-cyclohexadien-1-yl)vinyl)benzoate; methyl 4-[(E)-2-(3,6-dioxocyclohexa-1,4-dien-1-yl)vinyl]benzoate; 4-[2-(3,6-Dioxo-1,4-cyclohexadienyl)vinyl]benzoic acid methyl ester; Benzoic acid,6-dioxo-1,4-cyclohexadienyl)ethenyl-,methyl ester (E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680780	.	.	.	.	268.26	C16H12O4	60.4	503	2.2	20	0	4	4	"InChI=1S/C16H12O4/c1-20-16(19)12-5-2-11(3-6-12)4-7-13-10-14(17)8-9-15(13)18/h2-10H,1H3/b7-4+"	COC(=O)C1=CC=C(C=C1)/C=C/C2=CC(=O)C=CC2=O	NTYYEKMWOOODIR-QPJJXVBHSA-N
DG62351	Geodiamolide B	5469013	Geodiamolide B; CHEMBL2006316; NSC681481; NSC-681481; 108675-64-5	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681481	.	.	.	.	594.5	C28H40BrN3O6	125	896	4.2	38	3	6	2	"InChI=1S/C28H40BrN3O6/c1-15-10-16(2)12-18(4)38-28(37)20(6)31-26(35)23(14-21-8-9-24(33)22(29)13-21)32(7)27(36)19(5)30-25(34)17(3)11-15/h8-10,13,16-20,23,33H,11-12,14H2,1-7H3,(H,30,34)(H,31,35)/b15-10+/t16-,17-,18-,19-,20-,23+/m0/s1"	C[C@@H]\\1C[C@@H](OC(=O)[C@@H](NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@H](C/C(=C1)/C)C)C)C)CC2=CC(=C(C=C2)O)Br)C)C	QYMMTIVLYXHSHK-SVSKSJJFSA-N
DG62352	Geodiamolide E	5469059	"Geodiamolide E; NSC682307; NSC-682307; L-Alanine,4,6-trimethyl-1-oxo -4-nonenyl)glycyl]-N-methyl-D-tyrosyl]-, .pi.-lactone, [2S-(2R*,4E,6S*,8R*)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682307	.	.	.	.	580.5	C27H38BrN3O6	125	865	3.8	37	3	6	2	"InChI=1S/C27H38BrN3O6/c1-15-9-16(2)11-18(4)37-27(36)19(5)30-26(35)22(13-20-7-8-23(32)21(28)12-20)31(6)24(33)14-29-25(34)17(3)10-15/h7-9,12,16-19,22,32H,10-11,13-14H2,1-6H3,(H,29,34)(H,30,35)/b15-9+/t16-,17 ,18-,19-,22 /m1/s1"	C[C@H]\\1C[C@H](OC(=O)[C@H](NC(=O)C(N(C(=O)CNC(=O)C(C/C(=C1)/C)C)C)CC2=CC(=C(C=C2)O)Br)C)C	INYUFROKXKFBJE-DMRKTBTMSA-N
DG62353	"(14Z)-6-[(4-hydroxy-3-iodophenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone"	5469060	"NSC682308; CHEMBL1974543; NSC-682308; L-Alanine,4,6-trimethyl-1-oxo-4- nonenyl)-L-alanyl]-3-iodo-N-methyl-D-tyrosyl]-, .pi.-lactone, [2S-(2R*,4E,6S*,8R*)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682308	.	.	.	.	641.5	C28H40IN3O6	125	896	4.1	38	3	6	2	"InChI=1S/C28H40IN3O6/c1-15-10-16(2)12-18(4)38-28(37)20(6)31-26(35)23(14-21-8-9-24(33)22(29)13-21)32(7)27(36)19(5)30-25(34)17(3)11-15/h8-10,13,16-20,23,33H,11-12,14H2,1-7H3,(H,30,34)(H,31,35)/b15-10-"	CC/1CC(OC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(C/C(=C1)/C)C)C)C)CC2=CC(=C(C=C2)O)I)C)C	QMYRWKWZINECMT-GDNBJRDFSA-N
DG62354	Geodiamolide D	5469061	"Geodiamolide D; NSC682309; CHEMBL1966138; NSC-682309; L-Alanine,4,6-trimethyl-1-oxo-4-nonen yl) glycyl]-3-iodo-N-methyl-D-tyrosyl]-, .pi.-lactone, [2S-(2R*,4E,6S*,8R*)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682309	.	.	.	.	627.5	C27H38IN3O6	125	865	3.7	37	3	6	2	"InChI=1S/C27H38IN3O6/c1-15-9-16(2)11-18(4)37-27(36)19(5)30-26(35)22(13-20-7-8-23(32)21(28)12-20)31(6)24(33)14-29-25(34)17(3)10-15/h7-9,12,16-19,22,32H,10-11,13-14H2,1-6H3,(H,29,34)(H,30,35)/b15-9-"	CC/1CC(OC(=O)C(NC(=O)C(N(C(=O)CNC(=O)C(C/C(=C1)/C)C)C)CC2=CC(=C(C=C2)O)I)C)C	OXZSDRMSCOSPIT-DHDCSXOGSA-N
DG62355	"(4Z)-4-(1,3-benzodioxol-5-ylmethylene)isoquinoline-1,3-dione"	5469072	"NSC682563; CHEMBL1965304; ZINC5822726; NSC-682563; (4Z)-4-(1,3-benzodioxol-5-ylmethylene)isoquinoline-1,3-dione; 4-(1,3-Benzodioxol-5-ylmethylene)-1,3(2H,4H)-isoquinolinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682563	.	.	.	.	293.27	C17H11NO4	64.599	515	2.6	22	1	4	1	"InChI=1S/C17H11NO4/c19-16-12-4-2-1-3-11(12)13(17(20)18-16)7-10-5-6-14-15(8-10)22-9-21-14/h1-8H,9H2,(H,18,19,20)/b13-7-"	C1OC2=C(O1)C=C(C=C2)/C=C\\3/C4=CC=CC=C4C(=O)NC3=O	YQAYURQPWKSPDG-QPEQYQDCSA-N
DG62356	"Allyl 2,3-bis(3,4-dimethoxyphenyl)acrylate"	5469073	"NSC682566; CHEMBL1999863; ZINC1648770; NSC-682566; Allyl 2,3-bis(3,4-dimethoxyphenyl)acrylate; allyl (Z)-2,3-bis(3,4-dimethoxyphenyl)prop-2-enoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682566	.	.	.	.	384.4	C22H24O6	63.2	531	4.4	28	0	6	10	"InChI=1S/C22H24O6/c1-6-11-28-22(23)17(16-8-10-19(25-3)21(14-16)27-5)12-15-7-9-18(24-2)20(13-15)26-4/h6-10,12-14H,1,11H2,2-5H3/b17-12-"	COC1=C(C=C(C=C1)/C=C(/C2=CC(=C(C=C2)OC)OC)\\C(=O)OCC=C)OC	SCIJDCGJBCNTPX-ATVHPVEESA-N
DG62357	(3Z)-1-acetyl-3-[2-(4-chlorophenyl)-2-oxo-ethylidene]indolin-2-one	5469074	"NSC682576; CHEMBL1977614; ZINC16958897; NSC-682576; (3Z)-1-acetyl-3-[2-(4-chlorophenyl)-2-oxo-ethylidene]indolin-2-one; 1-Acetyl-3-(2-(4-chlorophenyl)-2-oxoethylidene)-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682576	.	.	.	.	325.7	C18H12ClNO3	54.4	549	3	23	0	3	2	"InChI=1S/C18H12ClNO3/c1-11(21)20-16-5-3-2-4-14(16)15(18(20)23)10-17(22)12-6-8-13(19)9-7-12/h2-10H,1H3/b15-10-"	CC(=O)N1C2=CC=CC=C2/C(=C/C(=O)C3=CC=C(C=C3)Cl)/C1=O	ITDAWHHKMOCDRG-GDNBJRDFSA-N
DG62358	17-Demethoxy-17-N-allyamino-geldanamycin 11-(4'-aminobutyrate) hydrochloride	5469101	NSC683201; CHEMBL1967601; NSC-683201; 17-Demethoxy-17-N-allyamino-geldanamycin 11-(4'-aminobutyrate) hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683201	.	.	.	.	707.3	C35H51ClN4O9	198	1380	.	49	5	11	12	"InChI=1S/C35H50N4O9.ClH/c1-8-15-38-30-24-16-20(2)17-28(46-7)33(47-29(41)13-10-14-36)23(5)18-22(4)32(48-35(37)44)27(45-6)12-9-11-21(3)34(43)39-25(31(24)42)19-26(30)40;/h8-9,11-12,18-20,23,27-28,32-33,38H,1,10,13-17,36H2,2-7H3,(H2,37,44)(H,39,43);1H/b12-9-,21-11+,22-18+;/t20-,23-,27-,28-,32-,33+;/m1./s1"	C[C@H]1C[C@H]([C@H]([C@@H](/C=C(/[C@H]([C@@H](/C=C\\C=C(\\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\\C)C)OC(=O)CCCN)OC.Cl	XAZUMYREMJEFLY-PYHLRZMUSA-N
DG62359	NSC683252	5469103	"(2-nitrophenyl)methyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate; NSC683252; CHEMBL325046; NSC-683252; (6S)-6beta,10beta-(3-Hexene-1,5-diyne-1,6-diyl)-6aalpha,10aalpha-epoxy-5,6,6a,7,8,9,10,10a-octahydrophenanthridine-5-carboxylic acid 2-nitrobenzyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683252	.	.	.	.	452.5	C27H20N2O5	87.9	1050	4.1	34	0	5	3	"InChI=1S/C27H20N2O5/c30-25(33-18-19-10-5-7-14-22(19)29(31)32)28-23-15-8-6-13-21(23)27-20-11-3-1-2-4-16-24(28)26(27,34-27)17-9-12-20/h1-2,5-8,10,13-15,20,24H,9,12,17-18H2/b2-1-/t20-,24+,26+,27-/m1/s1"	C1C[C@H]2C#C/C=C\\C#C[C@H]3[C@@]4(C1)[C@]2(O4)C5=CC=CC=C5N3C(=O)OCC6=CC=CC=C6[N+](=O)[O-]	WHARZCKUDMDSND-IDLMTYENSA-N
DG62360	NSC683253	5469104	"(4-nitrophenyl)methyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate; NSC683253; CHEMBL432797; NSC-683253; (6S)-6beta,10beta-(3-Hexene-1,5-diyne-1,6-diyl)-6aalpha,10aalpha-epoxy-5,6,6a,7,8,9,10,10a-octahydrophenanthridine-5-carboxylic acid 4-nitrobenzyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683253	.	.	.	.	452.5	C27H20N2O5	87.9	1040	4.1	34	0	5	3	"InChI=1S/C27H20N2O5/c30-25(33-18-19-13-15-21(16-14-19)29(31)32)28-23-11-6-5-10-22(23)27-20-8-3-1-2-4-12-24(28)26(27,34-27)17-7-9-20/h1-2,5-6,10-11,13-16,20,24H,7,9,17-18H2/b2-1-/t20-,24+,26+,27-/m1/s1"	C1C[C@H]2C#C/C=C\\C#C[C@H]3[C@@]4(C1)[C@]2(O4)C5=CC=CC=C5N3C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-]	QWOHTRSZULPMGF-IDLMTYENSA-N
DG62361	2-Cyano-N-(6-methoxy-2-benzothiazolyl)-3-phenyl-2-propenamide	5469111	"NSC683328; 2-Cyano-N-(6-methoxy-2-benzothiazolyl)-3-phenyl-2-propenamide; 2-Propenamide, 2-cyano-N-(6-methoxy-2-benzothiazolyl)-3-phenyl-; CHEMBL1991785; AKOS002937410; NSC-683328; 160893-90-3; N-(6-Methoxybenzothiazol-2-yl)-alpha-cyanocinnamamide; 2-Cyano-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylacrylamide; (E)-2-cyano-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenyl-prop-2-enamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683328	.	.	.	.	335.4	C18H13N3O2S	103	536	4.4	24	1	5	4	"InChI=1S/C18H13N3O2S/c1-23-14-7-8-15-16(10-14)24-18(20-15)21-17(22)13(11-19)9-12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21,22)/b13-9+"	COC1=CC2=C(C=C1)N=C(S2)NC(=O)/C(=C/C3=CC=CC=C3)/C#N	GNWOEFVKNCEIJB-UKTHLTGXSA-N
DG62362	NSC683414	5469120	"N-[4-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]-1-methyl-4-nitropyrrole-2-carboxamide; NSC683414; CHEMBL73027; NSC-683414; NCI60_029901; NCI60_029902"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683414	.	.	.	.	642.6	C33H30N4O10	175	1150	3.8	47	3	11	7	"InChI=1S/C33H30N4O10/c1-36-13-19(37(41)42)10-23(36)32(39)35-18-6-4-17(5-7-18)34-30-21-12-25-24(46-15-47-25)11-20(21)28(29-22(30)14-45-33(29)40)16-8-26(43-2)31(38)27(9-16)44-3/h4-13,22,28-30,34,38H,14-15H2,1-3H3,(H,35,39)/t22-,28+,29-,30+/m0/s1"	CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)N[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)[N+](=O)[O-]	JKDAETVNFABJQD-GEYQZXRLSA-N
DG62363	NSC683415	5469121	"N-[4-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]-1-methyl-4-nitropyrrole-2-carboxamide;hydrochloride; NSC683415; CHEMBL556158; NSC-683415"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683415	.	.	.	.	679.1	C33H31ClN4O10	175	1150	.	48	4	11	7	"InChI=1S/C33H30N4O10.ClH/c1-36-13-19(37(41)42)10-23(36)32(39)35-18-6-4-17(5-7-18)34-30-21-12-25-24(46-15-47-25)11-20(21)28(29-22(30)14-45-33(29)40)16-8-26(43-2)31(38)27(9-16)44-3;/h4-13,22,28-30,34,38H,14-15H2,1-3H3,(H,35,39);1H/t22-,28+,29-,30+;/m0./s1"	CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)N[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)[N+](=O)[O-].Cl	WEDSSFYVXYLQLK-DVMCIEKCSA-N
DG62364	NSC683416	5469122	"N-[4-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]-1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carboxamide; NSC683416; CHEMBL74309; NSC-683416; NCI60_029903; 1H-Pyrrole-2-carboxamide,5a,6,8,8a,9-hexahydro- 5-(4-hydroxy-3,5-dimethoxyphenyl)- 6-oxofuro[3',4':6,7]naphtho[1,2-d]-1,3-dioxol-9-yl]amino] phenyl]amino]carbonyl]-1-methyl-1H-pyrrol-4-yl]-1-methyl- 4-nitro-, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683416	.	.	.	.	764.7	C39H36N6O11	209	1450	3.9	56	4	12	9	"InChI=1S/C39H36N6O11/c1-43-15-22(42-38(48)28-12-23(45(50)51)16-44(28)2)11-27(43)37(47)41-21-7-5-20(6-8-21)40-35-25-14-30-29(55-18-56-30)13-24(25)33(34-26(35)17-54-39(34)49)19-9-31(52-3)36(46)32(10-19)53-4/h5-16,26,33-35,40,46H,17-18H2,1-4H3,(H,41,47)(H,42,48)/t26-,33+,34-,35+/m0/s1"	CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)N[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)NC(=O)C8=CC(=CN8C)[N+](=O)[O-]	DLZMTAUCCZKICH-RAROJLCTSA-N
DG62365	"2-Butenoic acid,4-dicyano-4-[[(3-thienyl)methylene]amino]-, methyl ester, (Z,E)-"	5469130	"NSC683564; CHEMBL1999389; NSC-683564; 2-Butenoic acid,4-dicyano-4-[[(3-thienyl)methylene]amino]-, methyl ester, (Z,E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683564	.	.	.	.	259.29	C12H9N3O2S	115	450	1.3	18	0	6	5	"InChI=1S/C12H9N3O2S/c1-17-11(16)2-4-12(8-13,9-14)15-6-10-3-5-18-7-10/h2-7H,1H3/b4-2-,15-6 "	COC(=O)/C=C\\C(C#N)(C#N)N=CC1=CSC=C1	WYTYPKMIHOQZKL-HOGGMAPHSA-N
DG62366	"8-[(E)-dimethylaminoazo]-1,3,7-trimethyl-purine-2,6-dione"	5469134	"NSC683592; CHEMBL1989943; STK701172; AKOS005521879; NSC-683592; 8-[(E)-dimethylaminoazo]-1,3,7-trimethyl-purine-2,6-dione; 8-(3,3-Dimethyl-1-triazenyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione; 8-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione; 85609-73-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683592	.	.	.	.	265.27	C10H15N7O2	86.4	424	0.6	19	0	6	2	InChI=1S/C10H15N7O2/c1-14(2)13-12-9-11-7-6(15(9)3)8(18)17(5)10(19)16(7)4/h1-5H3/b13-12+	CN1C2=C(N=C1/N=N/N(C)C)N(C(=O)N(C2=O)C)C	AZZFNPKVCVRPGF-OUKQBFOZSA-N
DG62367	NSC683659	5469144	"[(4E,6Z,8R,9R,10E,12R,13S,14R,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate; NSC683659; CHEMBL1970366; SCHEMBL16226153; NSC-683659; 2-Azabicyclo[16.3.1]docos-1(21),6,10,18-pentaen- 3,20,22-trione, 9-aminocarbonyloxy-13-hydroxy- 8,14-dimethoxy-4,10,12,16-tetramethyl-19-[[2-(dimethylamino)ethyl]amino]-, stereoisomer; Carbamic acid,14-dimethoxy- 4,10,12,16-tetramethyl- 19-[[2-(dimethylamino)ethyl]amino]- 3,20,22-trioxo-2-azabicyclo[16.3.1]docos-1(21),4,6,10,18- pentaen-9-yl] ester, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683659	.	.	.	.	616.7	C32H48N4O8	170	1230	2	44	4	10	8	"InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20-,25-,26-,28+,30-/m1/s1"	C[C@H]1C[C@H]([C@H]([C@@H](/C=C(/[C@H]([C@@H](/C=C\\C=C(\\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)/C)OC)OC(=O)N)\\C)C)O)OC	KUFRQPKVAWMTJO-BZPDEKOWSA-N
DG62368	NSC683661	5469145	"[(4E,6Z,8R,9R,10E,12R,13R,14R,16R)-9-carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 2-aminoacetate;hydrochloride; NSC683661; CHEMBL2004867; NSC-683661; 2-Azabicyclo[16.3.1]docosa-1(21),6,10,18-pentaene- 3,20,22-trione, 9-[[(amino)carbonyl]oxy]-13-(2-amino- 1-oxoethoxy)-8,14-dimethoxy-4,10,12,16-tetramethyl- 19-[(2-propenyl)amino]-, stereoisomer,hydrochloride; Acetic acid, 9-[[(amino)carbonyl]oxy]-13-(2-amino- 1-oxoethoxy)-8,14-dimethoxy-4,10,12,16-tetramethyl- 3,20,22-trioxo-19-[(2-propenyl)amino]-2-azabicyclo [16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl ester, stereoisomer, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683661	.	.	.	.	679.2	C33H47ClN4O9	198	1340	.	47	5	11	10	"InChI=1S/C33H46N4O9.ClH/c1-8-12-36-28-22-13-18(2)14-26(44-7)31(45-27(39)17-34)21(5)15-20(4)30(46-33(35)42)25(43-6)11-9-10-19(3)32(41)37-23(29(22)40)16-24(28)38;/h8-11,15-16,18,21,25-26,30-31,36H,1,12-14,17,34H2,2-7H3,(H2,35,42)(H,37,41);1H/b11-9-,19-10+,20-15+;/t18-,21-,25-,26-,30-,31-;/m1./s1"	C[C@H]1C[C@H]([C@@H]([C@@H](/C=C(/[C@H]([C@@H](/C=C\\C=C(\\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\\C)C)OC(=O)CN)OC.Cl	ACZTVMPOXSEJFR-OKQVZOFKSA-N
DG62369	NSC683662	5469147	"[(4E,6Z,8R,9R,10E,12R,13R,14R,16R)-9-carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 2-(dimethylamino)acetate;hydrochloride; NSC683662; CHEMBL1982422; NSC-683662; 2-Azabicyclo[16.3.1]docosa-1(21),6,10,18-pentaene- 3,20,22-trione, 9-[[(amino)carbonyl]oxy]-8,14-dimethoxy- 4,10,12,16-tetramethyl-13-[2-(dimethylamino)-1-oxoethoxy]-19-[(2-propenyl)amino]-, stereoisomer, hydrochloride; Acetic acid, 9-[[(amino)carbonyl]oxy]- 8,14-dimethoxy-4,10,12,16-tetramethyl- 3,20,22-trioxo-19-[(2-propenyl)amino]- 2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl ester, stereoisomer, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683662	.	.	.	.	707.3	C35H51ClN4O9	176	1390	.	49	4	11	11	"InChI=1S/C35H50N4O9.ClH/c1-10-14-37-30-24-15-20(2)16-28(46-9)33(47-29(41)19-39(6)7)23(5)17-22(4)32(48-35(36)44)27(45-8)13-11-12-21(3)34(43)38-25(31(24)42)18-26(30)40;/h10-13,17-18,20,23,27-28,32-33,37H,1,14-16,19H2,2-9H3,(H2,36,44)(H,38,43);1H/b13-11-,21-12+,22-17+;/t20-,23-,27-,28-,32-,33-;/m1./s1"	C[C@H]1C[C@H]([C@@H]([C@@H](/C=C(/[C@H]([C@@H](/C=C\\C=C(\\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\\C)C)OC(=O)CN(C)C)OC.Cl	VEUZXALJQPZYNZ-VWIAEACDSA-N
DG62370	NSC683663	5469149	"[(4E,6Z,8R,9R,10E,12R,13R,14R,16R)-9-carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 3-aminopropanoate;hydrochloride; NSC683663; CHEMBL1989524; NSC-683663"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683663	.	.	.	.	693.2	C34H49ClN4O9	198	1360	.	48	5	11	11	"InChI=1S/C34H48N4O9.ClH/c1-8-14-37-29-23-15-19(2)16-27(45-7)32(46-28(40)12-13-35)22(5)17-21(4)31(47-34(36)43)26(44-6)11-9-10-20(3)33(42)38-24(30(23)41)18-25(29)39;/h8-11,17-19,22,26-27,31-32,37H,1,12-16,35H2,2-7H3,(H2,36,43)(H,38,42);1H/b11-9-,20-10+,21-17+;/t19-,22-,26-,27-,31-,32-;/m1./s1"	C[C@H]1C[C@H]([C@@H]([C@@H](/C=C(/[C@H]([C@@H](/C=C\\C=C(\\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\\C)C)OC(=O)CCN)OC.Cl	QZMKRZOFQGDLON-QKVFEVCNSA-N
DG62371	NSC683664	5469151	"[(4E,6Z,8R,9R,10E,12R,13R,14R,16R)-9-carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 3-(dimethylamino)propanoate;hydrochloride; NSC683664; CHEMBL1986759; NSC-683664; 2-Azabicyclo[16.3.1]docosa-1(21),6,10,18-pentaene- 3,20,22-trione, 9-[[(amino)carbonyl]oxy]-8,14-dimethoxy- 4,10,12,16-tetramethyl-13-[3-(dimethylamino)- 1-oxopropoxy)-19-[(2-propenyl)amino]-,stereoisomer, hydrochloride; Propanoic acid, 9-[[(amino)carbonyl]oxy]- 8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo- 19-[(2-propenyl)amino]-2-azabicyclo[16.3.1]docosa- 1(21),4,6,10,18-pentaen-13-yl ester, stereoisomer, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683664	.	.	.	.	721.3	C36H53ClN4O9	176	1410	.	50	4	11	12	"InChI=1S/C36H52N4O9.ClH/c1-10-15-38-31-25-17-21(2)18-29(47-9)34(48-30(42)14-16-40(6)7)24(5)19-23(4)33(49-36(37)45)28(46-8)13-11-12-22(3)35(44)39-26(32(25)43)20-27(31)41;/h10-13,19-21,24,28-29,33-34,38H,1,14-18H2,2-9H3,(H2,37,45)(H,39,44);1H/b13-11-,22-12+,23-19+;/t21-,24-,28-,29-,33-,34-;/m1./s1"	C[C@H]1C[C@H]([C@@H]([C@@H](/C=C(/[C@H]([C@@H](/C=C\\C=C(\\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\\C)C)OC(=O)CCN(C)C)OC.Cl	UTAHCXVRTQCBGT-YTDVBHLFSA-N
DG62372	NSC683666	5469153	"[(4E,6Z,8R,9R,10E,12R,13R,14R,16R)-9-carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 5-aminopentanoate;hydrochloride; NSC683666; CHEMBL1980566; NSC-683666"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683666	.	.	.	.	721.3	C36H53ClN4O9	198	1390	.	50	5	11	13	"InChI=1S/C36H52N4O9.ClH/c1-8-16-39-31-25-17-21(2)18-29(47-7)34(48-30(42)14-9-10-15-37)24(5)19-23(4)33(49-36(38)45)28(46-6)13-11-12-22(3)35(44)40-26(32(25)43)20-27(31)41;/h8,11-13,19-21,24,28-29,33-34,39H,1,9-10,14-18,37H2,2-7H3,(H2,38,45)(H,40,44);1H/b13-11-,22-12+,23-19+;/t21-,24-,28-,29-,33-,34-;/m1./s1"	C[C@H]1C[C@H]([C@@H]([C@@H](/C=C(/[C@H]([C@@H](/C=C\\C=C(\\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\\C)C)OC(=O)CCCCN)OC.Cl	AUFTVDUKFZHMIT-YTDVBHLFSA-N
DG62373	Dichapetalin A	5469156	Dichapetalin A; NSC683690; CHEMBL453157; NSC-683690	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683690	.	.	.	.	584.8	C38H48O5	76	1280	6.3	43	2	5	4	"InChI=1S/C38H48O5/c1-23(20-39)16-26-18-27(33(41)43-26)28-11-15-38-21-37(28,38)14-12-30-34(2)13-10-25-17-29(24-8-6-5-7-9-24)42-22-35(25,3)31(34)19-32(40)36(30,38)4/h5-10,12,14,16,26-32,39-40H,11,13,15,17-22H2,1-4H3/b23-16+/t26-,27-,28-,29-,30+,31+,32+,34+,35-,36-,37+,38+/m0/s1"	C/C(=C\\[C@H]1C[C@H](C(=O)O1)[C@@H]2CC[C@@]34[C@@]2(C3)C=C[C@H]5[C@]4([C@@H](C[C@@H]6[C@@]5(CC=C7[C@@]6(CO[C@@H](C7)C8=CC=CC=C8)C)C)O)C)/CO	LRJFCTOUXFAGON-NNLSLSRSSA-N
DG62374	(E)-1-(5-hydroxy-3-phenyl-oxadiazol-3-ium-4-yl)-3-(p-tolyl)prop-2-en-1-one	5469236	"NSC684699; CHEMBL2000636; NSC-684699; (E)-1-(5-hydroxy-3-phenyl-oxadiazol-3-ium-4-yl)-3-(p-tolyl)prop-2-en-1-one; 2-Propen-1-one,2,3-oxadiazol-4-yl)-3-(4-methylphenyl)-, hydroxide, inner salt; 1-(5-Hydroxy-3-phenyl-1,2,3.lambda.~5~-oxadiazol-4-yl)-3-(4-methylphenyl)-2(E)-propen-1-one, inner salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684699	.	.	.	.	306.3	C18H14N2O3	70	426	5.3	23	0	4	4	"InChI=1S/C18H14N2O3/c1-13-7-9-14(10-8-13)11-12-16(21)17-18(22)23-19-20(17)15-5-3-2-4-6-15/h2-12H,1H3/b12-11+"	CC1=CC=C(C=C1)/C=C/C(=O)C2=C(ON=[N+]2C3=CC=CC=C3)[O-]	FDOOEFSONRUFMB-VAWYXSNFSA-N
DG62375	(E)-1-(5-hydroxy-3-phenyl-oxadiazol-3-ium-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one	5469238	"NSC684700; CHEMBL1991698; NSC-684700; 2-Propen-1-one,2,3-oxadiazol-4-yl)-3-[(4-trifluoromethyl)phenyl]-, hydroxide, inner salt; (E)-1-(5-hydroxy-3-phenyl-oxadiazol-3-ium-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one; 1-(5-Hydroxy-3-phenyl-1,2,3.lambda.~5~-oxadiazol-4-yl)-3-(4-(trifluoromethyl)phenyl)-2(E)-propen-1-one, inner salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684700	.	.	.	.	360.3	C18H11F3N2O3	70	512	5.8	26	0	7	4	"InChI=1S/C18H11F3N2O3/c19-18(20,21)13-9-6-12(7-10-13)8-11-15(24)16-17(25)26-22-23(16)14-4-2-1-3-5-14/h1-11H/b11-8+"	C1=CC=C(C=C1)[N+]2=NOC(=C2C(=O)/C=C/C3=CC=C(C=C3)C(F)(F)F)[O-]	DDNPZBPYIXQWJA-DHZHZOJOSA-N
DG62376	(E)-3-(4-hydroxy-3-methoxy-phenyl)-1-(5-hydroxy-3-phenyl-oxadiazol-3-ium-4-yl)prop-2-en-1-one	5469240	"NSC684701; CHEMBL2001877; NSC-684701; (E)-3-(4-hydroxy-3-methoxy-phenyl)-1-(5-hydroxy-3-phenyl-oxadiazol-3-ium-4-yl)prop-2-en-1-one; 3-(4-Hydroxy-3-methoxyphenyl)-1-(5-hydroxy-3-phenyl-1,2,3.lambda.~5~-oxadiazol-4-yl)-2(E)-propen-1-one, inner salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684701	.	.	.	.	338.3	C18H14N2O5	90.7	580	4.2	25	1	6	5	"InChI=1S/C18H14N2O5/c1-24-16-11-12(7-9-14(16)21)8-10-15(22)17-18(23)25-19-20(17)13-5-3-2-4-6-13/h2-11H,1H3,(H-,19,21,22,23)"	COC1=C(C=CC(=C1)/C=C/C(=O)C2=[N+](NOC2=O)C3=CC=CC=C3)[O-]	BDAXXNKGVIXEIP-UHFFFAOYSA-N
DG62377	"2-Mercapto-4-(2-phenylvinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile"	5469243	"NSC684707; CHEMBL1994173; NSC-684707; 2-Mercapto-4-(2-phenylvinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile; 4-[(E)-styryl]-2-sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684707	.	.	.	.	306.4	C19H18N2S	67.9	594	3.9	22	1	2	2	"InChI=1S/C19H18N2S/c20-13-17-15(12-11-14-7-3-1-4-8-14)16-9-5-2-6-10-18(16)21-19(17)22/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,21,22)/b12-11+"	C1CCC2=C(CC1)NC(=S)C(=C2/C=C/C3=CC=CC=C3)C#N	KPIJMHCLRRBLDD-VAWYXSNFSA-N
DG62378	"Phenol, (Z)-"	5469252	"NSC684913; Phenol, (Z)-; (Z)-3'-Methoxystilben-4-ol; CHEMBL476677; ZINC5831506; NSC-684913"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684913	.	.	.	.	226.27	C15H14O2	29.5	241	4	17	1	2	3	"InChI=1S/C15H14O2/c1-17-15-4-2-3-13(11-15)6-5-12-7-9-14(16)10-8-12/h2-11,16H,1H3/b6-5-"	COC1=CC=CC(=C1)/C=C\\C2=CC=C(C=C2)O	ZVJLZUWCAUTTBS-WAYWQWQTSA-N
DG62379	"3-[4-(dimethylamino)phenyl]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile"	5469261	"NSC684984; 3-[4-(dimethylamino)phenyl]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile; 210287-79-9; (E)-3-[4-(dimethylamino)phenyl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile; 3-(4-(Dimethylamino)phenyl)-2-(4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl)acrylonitrile; CHEMBL1976053; ZINC3997817; STL360951; AKOS001483618; NSC-684984; AB00079724-01; AG-690/33069013; SR-01000390223; SR-01000390223-1; (E)-3-(4-dimethylaminophenyl)-2-[4-(2-oxochromen-3-yl)thiazol-2-yl]prop-2-enenitrile; (2E)-3-[4-(dimethylamino)phenyl]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile; (2E)-3-[4-(dimethylamino)phenyl]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684984	.	.	.	.	399.5	C23H17N3O2S	94.5	730	4.6	29	0	6	4	"InChI=1S/C23H17N3O2S/c1-26(2)18-9-7-15(8-10-18)11-17(13-24)22-25-20(14-29-22)19-12-16-5-3-4-6-21(16)28-23(19)27/h3-12,14H,1-2H3/b17-11+"	CN(C)C1=CC=C(C=C1)/C=C(\\C#N)/C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O	RZVDFFDMRTUESQ-GZTJUZNOSA-N
DG62380	"3,5-Bis(4-chlorobenzylidene)-4-piperidone"	5469265	"NSC685124; CHEMBL347880; ZINC27650580; NSC-685124; 3,5-Bis(4-chlorobenzylidene)-4-piperidone; (3e,5e)-3,5-bis(4'-chlorobenzylidene)-piperidin-4-one; 4-Piperidinone,5-bis[(4-chlorophenyl)methylene]-, (E,E)-; (3E,5E)-3,5-bis[(4-chlorophenyl)methylene]piperidin-4-one; 4-Piperidinone, 3,5-bis[(4-chlorophenyl)methylene]-, (E,E)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685124	.	.	.	.	344.2	C19H15Cl2NO	29.1	442	4.4	23	1	2	2	"InChI=1S/C19H15Cl2NO/c20-17-5-1-13(2-6-17)9-15-11-22-12-16(19(15)23)10-14-3-7-18(21)8-4-14/h1-10,22H,11-12H2/b15-9+,16-10+"	C\\1NC/C(=C\\C2=CC=C(C=C2)Cl)/C(=O)/C1=C/C3=CC=C(C=C3)Cl	LBNHBGZGFHYLAA-KAVGSWPWSA-N
DG62381	"(3E,5E)-3,5-bis(4-nitrobenzylidene)piperidin-4-one"	5469266	"RA-9; NSC685125; (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]piperidin-4-one; (3E,5E)-3,5-bis(4-nitrobenzylidene)piperidin-4-one; 919091-63-7; 330450-41-4; CHEMBL348877; SCHEMBL14797847; ZINC27646818; NSC-685125; RA-9, >=98% (HPLC); BS-46073; 3,5-Bis(4-nitrobenzylidene)-4-piperidone; HY-136528; 3,5-bis(4-nitrobenzylidene)piperidin-4-one; CS-0130075; (3E,5E)-3,5-Bis(4-nitrobenzylidene)piperidine-4-one; (3E,5E)-3,5-bis[(4-nitrophenyl)methylene]piperidin-4-one; 4-Piperidinone,5-bis[(4-nitrophenyl)methylene]-, (E,E)-; 4-Piperidinone, 3,5-bis[(4-nitrophenyl)methylene]-, (3E,5E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685125	.	.	.	.	365.3	C19H15N3O5	121	591	2.8	27	1	6	2	"InChI=1S/C19H15N3O5/c23-19-15(9-13-1-5-17(6-2-13)21(24)25)11-20-12-16(19)10-14-3-7-18(8-4-14)22(26)27/h1-10,20H,11-12H2/b15-9+,16-10+"	C\\1NC/C(=C\\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)/C1=C/C3=CC=C(C=C3)[N+](=O)[O-]	YUYPWAMLWZVHAE-KAVGSWPWSA-N
DG62382	"3,5-Bis(4-fluorobenzylidene)piperidine-4-one"	5469267	"CHEMBL358894; NSC685126; SCHEMBL932826; BDBM50291912; ZINC27654108; NSC-685126; 3,5-bis(flurobenzylidene)piperidin-4-one; 3,5-Bis(4-fluorobenzylidene)piperidine-4-one; (3E,5E)-3,5-Bis(4-fluorobenzylidene)piperidine-4-one; 4-Piperidinone,5-bis[(4-fluorophenyl)methylene]-, (E,E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685126	.	.	.	.	311.3	C19H15F2NO	29.1	442	3.4	23	1	4	2	"InChI=1S/C19H15F2NO/c20-17-5-1-13(2-6-17)9-15-11-22-12-16(19(15)23)10-14-3-7-18(21)8-4-14/h1-10,22H,11-12H2/b15-9+,16-10+"	C\\1NC/C(=C\\C2=CC=C(C=C2)F)/C(=O)/C1=C/C3=CC=C(C=C3)F	ASJBYMPCFLKDGD-KAVGSWPWSA-N
DG62383	5-amino-2-[(E)-styryl]oxazole-4-carbonitrile	5469294	"NSC685299; CHEMBL1977327; NSC-685299; 5-amino-2-[(E)-styryl]oxazole-4-carbonitrile; 5-Amino-2-(2-phenylvinyl)-1,3-oxazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685299	.	.	.	.	211.22	C12H9N3O	75.8	301	2.9	16	1	4	2	"InChI=1S/C12H9N3O/c13-8-10-12(14)16-11(15-10)7-6-9-4-2-1-3-5-9/h1-7H,14H2/b7-6+"	C1=CC=C(C=C1)/C=C/C2=NC(=C(O2)N)C#N	APQLOEQOOKSCNV-VOTSOKGWSA-N
DG62384	"3-Pyridinecarboxylic acid, 4-[2-cyano-2-(ethoxycarbonyl)-1-(2-phenyhydrazino)ethenyl]-"	5469314	"NSC685685; CHEMBL1978500; ZINC16958919; NSC-685685; 3-Pyridinecarboxylic acid, 4-[2-cyano-2-(ethoxycarbonyl)-1- (2-phenyhydrazino)ethenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685685	.	.	.	.	352.3	C18H16N4O4	124	589	3.2	26	3	8	8	"InChI=1S/C18H16N4O4/c1-2-26-18(25)14(10-19)16(22-21-12-6-4-3-5-7-12)13-8-9-20-11-15(13)17(23)24/h3-9,11,21-22H,2H2,1H3,(H,23,24)/b16-14+"	CCOC(=O)/C(=C(\\C1=C(C=NC=C1)C(=O)O)/NNC2=CC=CC=C2)/C#N	KCHUIWDHSQEOFG-JQIJEIRASA-N
DG62385	"2-(3-Cyano-5,5-dimethyl-4-(2-(4-pyridinyl)vinyl)-2(5H)-furanylidene)malononitrile"	5469325	"NSC686342; CHEMBL1977770; NSC-686342; 2-(3-Cyano-5,5-dimethyl-4-(2-(4-pyridinyl)vinyl)-2(5H)-furanylidene)malononitrile; 2-[3-cyano-5,5-dimethyl-4-[(E)-2-(4-pyridyl)vinyl]-2-furylidene]propanedinitrile; [4-[(E)-2-(4-Pyridyl)ethenyl]-3-cyano-5,5-dimethyl-2,5-dihydrofuran]-2-ylidenemalononitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686342	.	.	.	.	288.3	C17H12N4O	93.5	688	1.3	22	0	5	2	"InChI=1S/C17H12N4O/c1-17(2)15(4-3-12-5-7-21-8-6-12)14(11-20)16(22-17)13(9-18)10-19/h3-8H,1-2H3/b4-3+"	CC1(C(=C(C(=C(C#N)C#N)O1)C#N)/C=C/C2=CC=NC=C2)C	XXPCRXZTYVDCJZ-ONEGZZNKSA-N
DG62386	"4-[2-(Dimethylamino)vinyl]benzo[g]quinoline-5,10-dione"	5469342	"NSC686556; CHEMBL362746; NSC-686556; Benzo[g]quinoline-5, 4-[2-(dimethylamino) ethenyl]-; 4-[2-(Dimethylamino)vinyl]benzo[g]quinoline-5,10-dione; 4-[(E)-2-(dimethylamino)vinyl]benzo[g]quinoline-5,10-dione; Benzo[g]quinoline-5,10-dione, 4-[(E)-2-(dimethylamino)ethenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686556	.	.	.	.	278.3	C17H14N2O2	50.3	458	2.7	21	0	4	2	"InChI=1S/C17H14N2O2/c1-19(2)10-8-11-7-9-18-15-14(11)16(20)12-5-3-4-6-13(12)17(15)21/h3-10H,1-2H3/b10-8+"	CN(C)/C=C/C1=C2C(=NC=C1)C(=O)C3=CC=CC=C3C2=O	NTLIWPYGVYOIRB-CSKARUKUSA-N
DG62387	"(5E)-5-ethylidene-2,3a,4,5a,10b,10c-hexahydro-1H-indeno[5,4-b]benzofuran-3-one"	5469352	"NSC686965; CHEMBL1977746; NSC-686965; (5E)-5-ethylidene-2,3a,4,5a,10b,10c-hexahydro-1H-indeno[5,4-b]benzofuran-3-one; 5-Ethylidene-1,2,3a,4,5,5a,10b,10c-octahydro-3H-indeno[5,4-b][1]benzofuran-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686965	.	.	.	.	254.32	C17H18O2	26.3	425	2.4	19	0	2	0	"InChI=1S/C17H18O2/c1-2-10-9-13-11(7-8-14(13)18)16-12-5-3-4-6-15(12)19-17(10)16/h2-6,11,13,16-17H,7-9H2,1H3/b10-2+"	C/C=C/1\\CC2C(CCC2=O)C3C1OC4=CC=CC=C34	YXLYWUVAEIQGLX-WTDSWWLTSA-N
DG62388	Parthenolid-8-one	5469359	Parthenolid-8-one; NSC687012; CHEMBL1966702; NSC-687012	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687012	.	.	.	.	262.3	C15H18O4	55.9	504	1.3	19	0	4	0	"InChI=1S/C15H18O4/c1-8-5-4-6-15(3)13(19-15)12-11(10(16)7-8)9(2)14(17)18-12/h5,11-13H,2,4,6-7H2,1,3H3/b8-5+"	C/C/1=C\\CCC2(C(O2)C3C(C(=C)C(=O)O3)C(=O)C1)C	IGDZAGDUPNOYHK-VMPITWQZSA-N
DG62389	"11-[(E)-2-phenylethenyl]-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaen-20-one"	5469360	NSC687016; CHEMBL2005359; NSC-687016	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687016	.	.	.	.	384.4	C27H16N2O	42.8	668	6.2	30	0	3	2	InChI=1S/C27H16N2O/c30-27-21-12-5-4-11-20(21)25-24-22(19-10-6-7-13-23(19)29-26(24)27)16-18(28-25)15-14-17-8-2-1-3-9-17/h1-16H/b15-14+	C1=CC=C(C=C1)/C=C/C2=CC3=C4C(=N2)C5=CC=CC=C5C(=O)C4=NC6=CC=CC=C63	XYUNDISHDLGFBM-CCEZHUSRSA-N
DG62390	"[(1S,4E,6S,10E,14S)-6-hydroxy-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl acetate"	5469363	NSC687105; CHEMBL1994810; NSC-687105	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687105	.	.	.	.	362.5	C22H34O4	59.1	589	3.3	26	1	4	4	"InChI=1S/C22H34O4/c1-15(2)19-10-8-16(3)7-6-12-22(5)21(26-22)11-9-18(13-20(19)24)14-25-17(4)23/h7,13,19-21,24H,1,6,8-12,14H2,2-5H3/b16-7+,18-13+/t19 ,20-,21-,22-/m0/s1"	C/C/1=C\\CC[C@]2([C@@H](O2)CC/C(=C\\[C@@H](C(CC1)C(=C)C)O)/COC(=O)C)C	XHPIEOZMYVAMEY-LJEZSRFVSA-N
DG62391	"5-Methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)-5-hepten-1-ol"	5469369	"NSC687142; CHEMBL1984986; NSC-687142; 5-Methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)-5-hepten-1-ol; (E)-5-methyl-7-(2,3,4,5-tetramethoxy-6-methyl-phenyl)hept-5-en-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687142	.	.	.	.	338.4	C19H30O5	57.2	371	4	24	1	5	10	"InChI=1S/C19H30O5/c1-13(9-7-8-12-20)10-11-15-14(2)16(21-3)18(23-5)19(24-6)17(15)22-4/h10,20H,7-9,11-12H2,1-6H3/b13-10+"	CC1=C(C(=C(C(=C1OC)OC)OC)OC)C/C=C(\\C)/CCCCO	ZWSIESAPZRNMLS-JLHYYAGUSA-N
DG62392	"1-Fluoro-4-(12-(4-fluorophenyl)-3,10-dimethyl-2,10-dodecadienyl)benzene"	5469375	"NSC687148; CHEMBL2000211; NSC-687148; 1-Fluoro-4-(12-(4-fluorophenyl)-3,10-dimethyl-2,10-dodecadienyl)benzene; 1-fluoro-4-[(2E,10E)-12-(4-fluorophenyl)-3,10-dimethyl-dodeca-2,10-dienyl]benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687148	.	.	.	.	382.5	C26H32F2	0	419	9.6	28	0	2	11	"InChI=1S/C26H32F2/c1-21(9-11-23-13-17-25(27)18-14-23)7-5-3-4-6-8-22(2)10-12-24-15-19-26(28)20-16-24/h9-10,13-20H,3-8,11-12H2,1-2H3/b21-9+,22-10+"	C/C(=C\\CC1=CC=C(C=C1)F)/CCCCCC/C(=C/CC2=CC=C(C=C2)F)/C	IBKBVXJQQVBYHG-VGENTYGXSA-N
DG62393	"1,4-dimethoxy-2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene"	5469377	"NSC687150; CHEMBL1985602; SCHEMBL16689621; NSC-687150; 1,4-dimethoxy-2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene; 1,4-Dimethoxy-2-methyl-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)naphthalene; 1,4-Dimethoxy-2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetrenyl]naphthalene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687150	.	.	.	.	474.7	C33H46O2	18.5	736	11	35	0	2	13	"InChI=1S/C33H46O2/c1-24(2)14-11-15-25(3)16-12-17-26(4)18-13-19-27(5)22-23-29-28(6)32(34-7)30-20-9-10-21-31(30)33(29)35-8/h9-10,14,16,18,20-22H,11-13,15,17,19,23H2,1-8H3/b25-16+,26-18+,27-22+"	CC1=C(C2=CC=CC=C2C(=C1C/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C)OC)OC	BXTXYPSBCALRCV-UYWSHKLTSA-N
DG62394	2-(3-Bromophenylmethylene)-1-indanone	5469389	NSC687663; CHEMBL29170; ZINC16407253; AKOS000991368; 2-(3-Bromophenylmethylene)-1-indanone; NSC-687663; NCGC00324202-01; (2E)-2-(3-bromobenzylidene)indan-1-one; (2E)-2-[(3-bromophenyl)methylene]indan-1-one; AB01318947-02	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687663	.	.	.	.	299.16	C16H11BrO	17.1	360	4.5	18	0	1	1	"InChI=1S/C16H11BrO/c17-14-6-3-4-11(9-14)8-13-10-12-5-1-2-7-15(12)16(13)18/h1-9H,10H2/b13-8+"	C\\1C2=CC=CC=C2C(=O)/C1=C/C3=CC(=CC=C3)Br	BVIWTKYMZMLBTA-MDWZMJQESA-N
DG62395	"1-Acryloyl-3,5-bis(4-fluorobenzylidene)piperidine-4-one"	5469427	"NSC687850; CHEMBL350032; ZINC5838758; BDBM50430658; NSC-687850; 1-Acryloyl-3,5-bis(4-fluorobenzylidene)piperidine-4-one; 4-Piperidinone,5-bis[(4-fluorophenyl)methylene]- 1-(1-oxo-2-propenyl)-; (3E,5E)-3,5-bis[(4-fluorophenyl)methylene]-1-prop-2-enoyl-piperidin-4-one; 4-Piperidinone, 3,5-bis[(4-fluorophenyl)methylene]-1-(1-oxo-2-propenyl)-, (3E,5E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687850	.	.	.	.	365.4	C22H17F2NO2	37.4	595	3.9	27	0	4	3	"InChI=1S/C22H17F2NO2/c1-2-21(26)25-13-17(11-15-3-7-19(23)8-4-15)22(27)18(14-25)12-16-5-9-20(24)10-6-16/h2-12H,1,13-14H2/b17-11+,18-12+"	C=CC(=O)N1C/C(=C\\C2=CC=C(C=C2)F)/C(=O)/C(=C/C3=CC=C(C=C3)F)/C1	JTMAQMMHQYJZRV-JYFOCSDGSA-N
DG62396	"1-Acryloyl-3,5-bis(4-methoxybenzylidene)piperidine-4-one"	5469428	"NSC687851; CHEMBL155539; NSC-687851; 1-Acryloyl-3,5-bis(4-methoxybenzylidene)piperidine-4-one; 4-Piperidinone,5-bis[(4-methoxyphenyl)methylene]- 1-(1-oxo-2-propenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687851	.	.	.	.	389.4	C24H23NO4	55.8	618	3.6	29	0	4	5	"InChI=1S/C24H23NO4/c1-4-23(26)25-15-19(13-17-5-9-21(28-2)10-6-17)24(27)20(16-25)14-18-7-11-22(29-3)12-8-18/h4-14H,1,15-16H2,2-3H3/b19-13+,20-14+"	COC1=CC=C(C=C1)/C=C\\2/C(=O)/C(=C/C3=CC=C(C=C3)OC)/CN(C2)C(=O)C=C	HUKFHMCTPWIOSR-IWGRKNQJSA-N
DG62397	NSC688219	5469438	"[(1R,3S,4R,5R,7S,8S,9R,10E,12R,14R)-4,9-diacetyloxy-3,6,6,10,14-pentamethyl-2,13-dioxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-8-yl] (Z)-2-methylbut-2-enoate; NSC688219; CHEMBL1982046; NSC-688219"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688219	.	.	.	.	530.6	C29H38O9	126	1160	3.2	38	0	9	7	"InChI=1S/C29H38O9/c1-10-13(2)26(34)37-23-20-19(27(20,8)9)22(36-18(7)31)16(5)25(33)29-12-15(4)24(32)28(29,38-29)11-14(3)21(23)35-17(6)30/h10-11,15-16,19-23H,12H2,1-9H3/b13-10-,14-11+/t15-,16+,19+,20-,21-,22+,23+,28+,29+/m1/s1"	C/C=C(/C)\\C(=O)O[C@H]1[C@H]2[C@H](C2(C)C)[C@H]([C@@H](C(=O)[C@@]34C[C@H](C(=O)[C@@]3(O4)/C=C(/[C@H]1OC(=O)C)\\C)C)C)OC(=O)C	PGDTVKODHSMCOW-ZSTUALOTSA-N
DG62398	NSC688220	5469439	"[(1S,2S,3aR,5S,6E,9S,10S,11S,13R,13aR)-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-13-(2-methylbutanoyloxy)-12-methylidene-11-(2-methylpropoxy)-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-10-yl] 2-methylbutanoate; NSC688220; CHEMBL1965141; NSC-688220"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688220	.	.	.	.	608.8	C34H56O9	140	1030	5.4	43	3	9	11	"InChI=1S/C34H56O9/c1-12-19(5)31(38)42-26-23(9)27(41-17-18(3)4)28(43-32(39)20(6)13-2)30(37)33(10,11)15-14-21(7)29(36)34(40)16-22(8)25(35)24(26)34/h14-15,18-22,24-28,30,35,37,40H,9,12-13,16-17H2,1-8,10-11H3/b15-14+/t19 ,20 ,21-,22-,24+,25-,26-,27-,28+,30+,34+/m0/s1"	CCC(C)C(=O)O[C@@H]1[C@H](C(=C)[C@@H]([C@H]2[C@H]([C@H](C[C@@]2(C(=O)[C@H](/C=C/C([C@@H]1O)(C)C)C)O)C)O)OC(=O)C(C)CC)OCC(C)C	IPTVQTRTKLELPQ-LKQMHBITSA-N
DG62399	NSC688228	5469441	"[(1R,2R,3R,4R,6R,8S,9E,12S,13S,14R,15S)-3,4,6,12,13-pentaacetyloxy-4,8,11,11-tetramethyl-14-(2-methylpropoxy)-7,18-dioxo-19-oxatricyclo[13.4.0.02,6]nonadec-9-en-15-yl] benzoate; CHEMBL2004855; NSC688228; NSC-688228"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688228	.	.	.	.	828.9	C43H56O16	210	1680	5.2	59	0	16	16	"InChI=1S/C43H56O16/c1-23(2)21-52-38-33(53-25(4)44)37(55-27(6)46)40(9,10)19-17-24(3)34(50)43(58-29(8)48)22-41(11,57-28(7)47)35(54-26(5)45)32(43)36-42(38,20-18-31(49)56-36)59-39(51)30-15-13-12-14-16-30/h12-17,19,23-24,32-33,35-38H,18,20-22H2,1-11H3/b19-17+/t24-,32+,33-,35+,36+,37+,38+,41+,42-,43+/m0/s1"	C[C@H]1/C=C/C([C@@H]([C@@H]([C@H]([C@@]2(CCC(=O)O[C@@H]2[C@H]3[C@H]([C@](C[C@@]3(C1=O)OC(=O)C)(C)OC(=O)C)OC(=O)C)OC(=O)C4=CC=CC=C4)OCC(C)C)OC(=O)C)OC(=O)C)(C)C	HMRXCGBDIXAMAJ-KBZPALJCSA-N
DG62400	NSC688229	5469442	"[(1R,2R,3R,4R,6R,8S,9E,12S,13S,14R,15S)-3,4,6,12,13-pentaacetyloxy-4,8,11,11-tetramethyl-7,18-dioxo-14-propoxy-19-oxatricyclo[13.4.0.02,6]nonadec-9-en-15-yl] benzoate; CHEMBL1996151; NSC688229; NSC-688229"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688229	.	.	.	.	814.9	C42H54O16	210	1640	4.7	58	0	16	16	"InChI=1S/C42H54O16/c1-11-21-51-37-32(52-24(3)43)36(54-26(5)45)39(8,9)19-17-23(2)33(49)42(57-28(7)47)22-40(10,56-27(6)46)34(53-25(4)44)31(42)35-41(37,20-18-30(48)55-35)58-38(50)29-15-13-12-14-16-29/h12-17,19,23,31-32,34-37H,11,18,20-22H2,1-10H3/b19-17+/t23-,31+,32-,34+,35+,36+,37+,40+,41-,42+/m0/s1"	CCCO[C@@H]1[C@H]([C@H](C(/C=C/[C@@H](C(=O)[C@]2(C[C@@]([C@@H]([C@@H]2[C@@H]3[C@]1(CCC(=O)O3)OC(=O)C4=CC=CC=C4)OC(=O)C)(C)OC(=O)C)OC(=O)C)C)(C)C)OC(=O)C)OC(=O)C	UZKWYPOUTRMHOV-WEUYMDICSA-N
DG62401	NSC688235	5469445	"[(1R,2R,3aR,4S,5S,6E,9S,10R,11S,13R,13aS)-2,4,13-triacetyloxy-1-benzoyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropoxy)-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate; NSC688235; CHEMBL79679; NSC-688235"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688235	.	.	.	.	793.9	C43H55NO13	194	1500	5	57	2	14	15	"InChI=1S/C43H55NO13/c1-24(2)22-52-35-26(4)34(53-27(5)45)32-37(55-39(49)30-15-12-11-13-16-30)42(10,57-29(7)47)23-43(32,51)36(54-28(6)46)25(3)18-19-41(8,9)38(33(35)48)56-40(50)31-17-14-20-44-21-31/h11-21,24-25,32-38,48,51H,4,22-23H2,1-3,5-10H3/b19-18+/t25-,32-,33+,34-,35-,36-,37+,38+,42+,43+/m0/s1"	C[C@H]1/C=C/C([C@@H]([C@@H]([C@H](C(=C)[C@@H]([C@H]2[C@H]([C@](C[C@@]2([C@H]1OC(=O)C)O)(C)OC(=O)C)OC(=O)C3=CC=CC=C3)OC(=O)C)OCC(C)C)O)OC(=O)C4=CN=CC=C4)(C)C	IRBRSTWNGIELEA-MZKXOQCGSA-N
DG62402	"1H-Pyrrole, 3-cyclohexyl-4-(2-cyclohexyl-1-nitroethenyl)-2-[(4-methylphenyl)sulfonyl]-"	5469462	"NSC688531; CHEMBL1975592; NSC-688531; 1H-Pyrrole, 3-cyclohexyl-4-(2-cyclohexyl-1-nitroethenyl)- 2-[(4-methylphenyl)sulfonyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688531	.	.	.	.	456.6	C25H32N2O4S	104	765	7.5	32	1	4	5	"InChI=1S/C25H32N2O4S/c1-18-12-14-21(15-13-18)32(30,31)25-24(20-10-6-3-7-11-20)22(17-26-25)23(27(28)29)16-19-8-4-2-5-9-19/h12-17,19-20,26H,2-11H2,1H3/b23-16+"	CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CN2)/C(=C\\C3CCCCC3)/[N+](=O)[O-])C4CCCCC4	KVDQZTZZWPUXNM-XQNSMLJCSA-N
DG62403	2-Thioxo-3-(piperidinomethyl)-5-[(Z)-4-methylbenzylidene]imidazolidine-4-one	5469474	NSC688937; CHEMBL1968116; NSC-688937; 5-(4-Methylbenzylidene)-3-(1-piperidinylmethyl)-2-thioxo-4-imidazolidinone; (5Z)-3-(1-piperidylmethyl)-5-(p-tolylmethylene)-2-thioxo-imidazolidin-4-one; 2-Thioxo-3-(piperidinomethyl)-5-[(Z)-4-methylbenzylidene]imidazolidine-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688937	.	.	.	.	315.4	C17H21N3OS	67.7	463	3.2	22	1	3	3	"InChI=1S/C17H21N3OS/c1-13-5-7-14(8-6-13)11-15-16(21)20(17(22)18-15)12-19-9-3-2-4-10-19/h5-8,11H,2-4,9-10,12H2,1H3,(H,18,22)/b15-11-"	CC1=CC=C(C=C1)/C=C\\2/C(=O)N(C(=S)N2)CN3CCCCC3	VSCQZVWKBPYRBS-PTNGSMBKSA-N
DG62404	(5Z)-5-[(4-methoxyphenyl)methylene]-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one	5469480	"NSC688943; CHEMBL1993651; NSC-688943; (5Z)-5-[(4-methoxyphenyl)methylene]-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one; 2-(Methylthio)-3-(morpholinomethyl)-5-[(Z)-4-methoxybenzylidene]-1-imidazoline-4-one; 5-(4-Methoxybenzylidene)-2-(methylthio)-3-(4-morpholinylmethyl)-3,5-dihydro-4H-imidazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688943	.	.	.	.	347.4	C17H21N3O3S	79.7	509	2.2	24	0	6	5	"InChI=1S/C17H21N3O3S/c1-22-14-5-3-13(4-6-14)11-15-16(21)20(17(18-15)24-2)12-19-7-9-23-10-8-19/h3-6,11H,7-10,12H2,1-2H3/b15-11-"	COC1=CC=C(C=C1)/C=C\\2/C(=O)N(C(=N2)SC)CN3CCOCC3	POKZSDLAWNUOKU-PTNGSMBKSA-N
DG62405	(5Z)-2-methylsulfanyl-3-(morpholinomethyl)-5-(p-tolylmethylene)imidazol-4-one	5469481	"NSC688944; CHEMBL1995917; NSC-688944; (5Z)-2-methylsulfanyl-3-(morpholinomethyl)-5-(p-tolylmethylene)imidazol-4-one; 2-(Methylthio)-3-(morpholinomethyl)-5-[(Z)-4-methylbenzylidene]-1-imidazoline-4-one; 5-(4-Methylbenzylidene)-2-(methylthio)-3-(4-morpholinylmethyl)-3,5-dihydro-4H-imidazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688944	.	.	.	.	331.4	C17H21N3O2S	70.4	492	2.6	23	0	5	4	"InChI=1S/C17H21N3O2S/c1-13-3-5-14(6-4-13)11-15-16(21)20(17(18-15)23-2)12-19-7-9-22-10-8-19/h3-6,11H,7-10,12H2,1-2H3/b15-11-"	CC1=CC=C(C=C1)/C=C\\2/C(=O)N(C(=N2)SC)CN3CCOCC3	RPSKLECDVUZEOE-PTNGSMBKSA-N
DG62406	(5Z)-5-[(4-chlorophenyl)methylene]-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one	5469482	"NSC688945; CHEMBL1968224; NSC-688945; (5Z)-5-[(4-chlorophenyl)methylene]-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one; 2-(Methylthio)-3-(morpholinomethyl)-5-[(Z)-4-chlorobenzylidene]-1-imidazoline-4-one; 5-(4-Chlorobenzylidene)-2-(methylthio)-3-(4-morpholinylmethyl)-3,5-dihydro-4H-imidazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688945	.	.	.	.	351.9	C16H18ClN3O2S	70.4	498	2.8	23	0	5	4	"InChI=1S/C16H18ClN3O2S/c1-23-16-18-14(10-12-2-4-13(17)5-3-12)15(21)20(16)11-19-6-8-22-9-7-19/h2-5,10H,6-9,11H2,1H3/b14-10-"	CSC1=N/C(=C\\C2=CC=C(C=C2)Cl)/C(=O)N1CN3CCOCC3	ABLPJJNIYNCJSN-UVTDQMKNSA-N
DG62407	(5Z)-2-methylsulfanyl-3-(morpholinomethyl)-5-(2-thienylmethylene)imidazol-4-one	5469483	"NSC688946; CHEMBL1991387; ZINC31872371; NSC-688946; (5Z)-2-methylsulfanyl-3-(morpholinomethyl)-5-(2-thienylmethylene)imidazol-4-one; 2-(Methylthio)-3-(morpholinomethyl)-5-[(Z)-(2-thienyl)methylene]-1-imidazoline-4-one; 2-(Methylthio)-3-(4-morpholinylmethyl)-5-(2-thienylmethylene)-3,5-dihydro-4H-imidazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688946	.	.	.	.	323.4	C14H17N3O2S2	98.7	461	1.9	21	0	6	4	"InChI=1S/C14H17N3O2S2/c1-20-14-15-12(9-11-3-2-8-21-11)13(18)17(14)10-16-4-6-19-7-5-16/h2-3,8-9H,4-7,10H2,1H3/b12-9-"	CSC1=N/C(=C\\C2=CC=CS2)/C(=O)N1CN3CCOCC3	GVSINYPEYJLMHI-XFXZXTDPSA-N
DG62408	(5Z)-5-[(4-methoxyphenyl)methylene]-2-methylsulfanyl-3-(1-piperidylmethyl)imidazol-4-one	5469486	"NSC688949; CHEMBL1979197; NSC-688949; (5Z)-5-[(4-methoxyphenyl)methylene]-2-methylsulfanyl-3-(1-piperidylmethyl)imidazol-4-one; 2-(Methylthio)-3-(piperidinomethyl)-5-[(Z)-4-methoxybenzylidene]-1-imidazoline-4-one; 5-(4-Methoxybenzylidene)-2-(methylthio)-3-(1-piperidinylmethyl)-3,5-dihydro-4H-imidazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688949	.	.	.	.	345.5	C18H23N3O2S	70.4	506	3.4	24	0	5	5	"InChI=1S/C18H23N3O2S/c1-23-15-8-6-14(7-9-15)12-16-17(22)21(18(19-16)24-2)13-20-10-4-3-5-11-20/h6-9,12H,3-5,10-11,13H2,1-2H3/b16-12-"	COC1=CC=C(C=C1)/C=C\\2/C(=O)N(C(=N2)SC)CN3CCCCC3	IVIFDIXHPZKVHL-VBKFSLOCSA-N
DG62409	(5Z)-5-[(4-chlorophenyl)methylene]-2-methylsulfanyl-3-(1-piperidylmethyl)imidazol-4-one	5469488	"NSC688951; CHEMBL1973998; NSC-688951; (5Z)-5-[(4-chlorophenyl)methylene]-2-methylsulfanyl-3-(1-piperidylmethyl)imidazol-4-one; 2-(Methylthio)-3-(piperidinomethyl)-5-[(Z)-4-chlorobenzylidene]-1-imidazoline-4-one; 5-(4-Chlorobenzylidene)-2-(methylthio)-3-(1-piperidinylmethyl)-3,5-dihydro-4H-imidazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688951	.	.	.	.	349.9	C17H20ClN3OS	61.2	494	4.1	23	0	4	4	"InChI=1S/C17H20ClN3OS/c1-23-17-19-15(11-13-5-7-14(18)8-6-13)16(22)21(17)12-20-9-3-2-4-10-20/h5-8,11H,2-4,9-10,12H2,1H3/b15-11-"	CSC1=N/C(=C\\C2=CC=C(C=C2)Cl)/C(=O)N1CN3CCCCC3	UPWQATIBVPWQPW-PTNGSMBKSA-N
DG62410	"4,6,6-trimethyl-4-[(E)-4-phenylsulfanylbut-1-enyl]norpinan-2-one"	5469503	"NSC689222; CHEMBL1999674; NSC-689222; 4,6,6-trimethyl-4-[(E)-4-phenylsulfanylbut-1-enyl]norpinan-2-one; 4,6,6-Trimethyl-4-(4-(phenylthio)-1-butenyl)bicyclo[3.1.1]heptan-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689222	.	.	.	.	314.5	C20H26OS	42.4	447	5.1	22	0	2	5	"InChI=1S/C20H26OS/c1-19(2)16-13-18(19)20(3,14-17(16)21)11-7-8-12-22-15-9-5-4-6-10-15/h4-7,9-11,16,18H,8,12-14H2,1-3H3/b11-7+"	CC1(C2CC1C(CC2=O)(C)/C=C/CCSC3=CC=CC=C3)C	HADBQWULFRJYEL-YRNVUSSQSA-N
DG62411	Desmethoxycentaureidin	5469524	"Desmethoxycentaureidin; 22934-99-2; Demethoxycentaureidin; 5,7,3'-Trihydroxy-6,4'-dimethoxyflavone; 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxychromen-4-one; Flavone, 3',5,7-trihydroxy-4',6-dimethoxy-; 3',5,7-Trihydroxy-4',6-dimethoxyflavone; 6-Methoxyluteolin 4'-methyl ether; Demethoxycentaureidin; NSC 689466; Desmethoxycentauridin; NSC689466; CHEMBL74838; SCHEMBL8069022; ZINC6484605; LMPK12111236; AKOS032962214; NSC-689466; NCI60_032209; W1624; 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-chromen-4-one; 4H-1-Benzopyran-4-one,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689466	.	.	.	.	330.29	C17H14O7	105	505	2.6	24	3	7	3	"InChI=1S/C17H14O7/c1-22-12-4-3-8(5-9(12)18)13-6-10(19)15-14(24-13)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3"	COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)O	VCWFILUULGOFCD-UHFFFAOYSA-N
DG62412	2-(4-Methylbenzylidene)cycloheptanone	5469545	NSC689954; CHEMBL28614; ZINC1651682; 2-(4-Methylbenzylidene)cycloheptanone; NSC-689954; (2E)-2-(p-tolylmethylene)cycloheptanone; 2-(4-Methylphenylmethylene)-1-cycloheptanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689954	.	.	.	.	214.3	C15H18O	17.1	269	3.9	16	0	1	1	"InChI=1S/C15H18O/c1-12-7-9-13(10-8-12)11-14-5-3-2-4-6-15(14)16/h7-11H,2-6H2,1H3/b14-11+"	CC1=CC=C(C=C1)/C=C/2\\CCCCCC2=O	FNGWXRFKXATYSZ-SDNWHVSQSA-N
DG62413	(2E)-2-(m-tolylmethylene)cycloheptanone	5469546	NSC689955; CHEMBL281704; ZINC1651683; NSC-689955; (2E)-2-(m-tolylmethylene)cycloheptanone; 2-(3-Methylbenzylidene)cycloheptane-1-one; 2-(3-Methylphenylmethylene)-1-cycloheptanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689955	.	.	.	.	214.3	C15H18O	17.1	277	3.9	16	0	1	1	"InChI=1S/C15H18O/c1-12-6-5-7-13(10-12)11-14-8-3-2-4-9-15(14)16/h5-7,10-11H,2-4,8-9H2,1H3/b14-11+"	CC1=CC(=CC=C1)/C=C/2\\CCCCCC2=O	JXWRJAWHJOKUKY-SDNWHVSQSA-N
DG62414	2-(3-Chlorobenzylidene)cycloheptane-1-one	5469548	NSC689957; CHEMBL286526; ZINC1651685; NSC-689957; 2-(3-Chlorobenzylidene)cycloheptane-1-one; 2-(3-Chlorophenylmethylene)-1-cycloheptanone; (2E)-2-[(3-chlorophenyl)methylene]cycloheptanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689957	.	.	.	.	234.72	C14H15ClO	17.1	283	4.2	16	0	1	1	"InChI=1S/C14H15ClO/c15-13-7-4-5-11(10-13)9-12-6-2-1-3-8-14(12)16/h4-5,7,9-10H,1-3,6,8H2/b12-9+"	C1CC/C(=C\\C2=CC(=CC=C2)Cl)/C(=O)CC1	VTDQASDBYAELFK-FMIVXFBMSA-N
DG62415	Antineoplastic-690266	5469577	NSC690266; CHEMBL2004801; ANTINEOPLASTIC-690266; NSC-690266	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690266	.	.	.	.	418.5	C24H26N4O3	87.2	867	1.6	31	2	3	5	"InChI=1S/C24H26N4O3/c1-4-5-20(30)26-16-8-17(27(3)13-16)6-7-21(31)28-12-15-10-24(15)19(28)9-18(29)23-22(24)14(2)11-25-23/h6-9,11,13,15,25H,4-5,10,12H2,1-3H3,(H,26,30)/b7-6+/t15-,24+/m0/s1"	CCCC(=O)NC1=CN(C(=C1)/C=C/C(=O)N2C[C@@H]3C[C@]34C2=CC(=O)C5=C4C(=CN5)C)C	DJFXWTPYURSOOJ-KSMMMRORSA-N
DG62416	"1H-imidazo[4,5-d]pyridazin-4-amine"	5469585	"1H-imidazo[4,5-d]pyridazin-4-amine; 10310-25-5; NSC690569; 1H-Imidazo[4,5-d]pyridazin-7-amine; 2-Aza-3-deazaadenine; SCHEMBL401742; CHEMBL1971530; SCHEMBL21896054; AKOS006338881; NSC-690569; NCI60_032493"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690569	.	.	.	.	135.13	C5H5N5	80.5	127	-0.9	10	2	4	0	"InChI=1S/C5H5N5/c6-5-4-3(1-9-10-5)7-2-8-4/h1-2H,(H2,6,10)(H,7,8)"	C1=C2C(=C(N=N1)N)N=CN2	AQXVOWQDVXWUAX-UHFFFAOYSA-N
DG62417	3-[2-bromo-N-(2-cyanoethyl)-4-[(Z)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]anilino]propanenitrile	5469596	"NSC690617; CHEMBL1994728; ZINC1652384; NSC-690617; 3-Bromo-4-N,N-bis-2'-cyanoethylaminobenzylidene rhodanine; 3-[2-bromo-N-(2-cyanoethyl)-4-[(Z)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]anilino]propanenitrile; Propanenitrile, 3,3'-[[2-bromo-4-[(Z)-(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenyl]imino]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690617	.	.	.	.	421.3	C16H13BrN4OS2	137	613	3	24	1	6	6	"InChI=1S/C16H13BrN4OS2/c17-12-9-11(10-14-15(22)20-16(23)24-14)3-4-13(12)21(7-1-5-18)8-2-6-19/h3-4,9-10H,1-2,7-8H2,(H,20,22,23)/b14-10-"	C1=CC(=C(C=C1/C=C\\2/C(=O)NC(=S)S2)Br)N(CCC#N)CCC#N	HTMBEOWUVUPUSS-UVTDQMKNSA-N
DG62418	3-[N-(2-carboxyethyl)-4-[(Z)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]anilino]propanoic acid	5469598	"NSC690619; CHEMBL1630445; ZINC1652386; BDBM50332533; NSC-690619; 4-N,N-bis-2'-carboxyethylaminobenzylidene rhodanine; (Z)-3,3''-(4-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenylazanediyl)-dipropanoic acid; 3-[N-(2-carboxyethyl)-4-[(Z)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]anilino]propanoic acid; 3-{(2-Carboxy-ethyl)-[4-(4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-phenyl]-amino}-propionic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690619	.	.	.	.	380.4	C16H16N2O5S2	164	567	1.9	25	3	8	8	"InChI=1S/C16H16N2O5S2/c19-13(20)5-7-18(8-6-14(21)22)11-3-1-10(2-4-11)9-12-15(23)17-16(24)25-12/h1-4,9H,5-8H2,(H,19,20)(H,21,22)(H,17,23,24)/b12-9-"	C1=CC(=CC=C1/C=C\\2/C(=O)NC(=S)S2)N(CCC(=O)O)CCC(=O)O	NABNHBIDWSHAER-XFXZXTDPSA-N
DG62419	"Ethyl 3-(5-amino-4-cyano-1,3-oxazol-2-yl)acrylate"	5469600	"NSC690690; CHEMBL1982842; NSC-690690; Ethyl 3-(5-amino-4-cyano-1,3-oxazol-2-yl)acrylate; ethyl (E)-3-(5-amino-4-cyano-oxazol-2-yl)prop-2-enoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690690	.	.	.	.	207.19	C9H9N3O3	102	307	1.3	15	1	6	4	"InChI=1S/C9H9N3O3/c1-2-14-8(13)4-3-7-12-6(5-10)9(11)15-7/h3-4H,2,11H2,1H3/b4-3+"	CCOC(=O)/C=C/C1=NC(=C(O1)N)C#N	FWLHAVVWYWAIFD-ONEGZZNKSA-N
DG62420	"(1R,2S,6E,10S,11R,13S,17R)-11-hydroxy-2,6,10-trimethyl-14-methylidene-16,18-dioxatricyclo[8.6.2.013,17]octadec-6-en-15-one"	5469628	CHEMBL2003173; NSC690970; NSC-690970	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690970	.	.	.	.	334.4	C20H30O4	55.8	552	3.4	24	1	4	0	"InChI=1S/C20H30O4/c1-12-7-5-9-13(2)17-18-15(14(3)19(22)23-17)11-16(21)20(4,24-18)10-6-8-12/h8,13,15-18,21H,3,5-7,9-11H2,1-2,4H3/b12-8+/t13-,15-,16+,17+,18+,20-/m0/s1"	C[C@H]1CCC/C(=C/CC[C@]2([C@@H](C[C@@H]3[C@H]([C@@H]1OC(=O)C3=C)O2)O)C)/C	HTFJCLBNRQBUKL-MPWUPMOYSA-N
DG62421	NSC690971	5469629	"(1S,2R,5E,10R,11S,12R,16S)-2-hydroxy-2,6,10-trimethyl-15-(phenylsulfanylmethyl)-13,18-dioxatricyclo[9.6.1.012,16]octadec-5-en-14-one; NSC690971; NSC-690971"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690971	.	.	.	.	444.6	C26H36O4S	81.1	658	5.2	31	1	5	3	"InChI=1S/C26H36O4S/c1-17-9-7-11-18(2)23-24-20(15-22(29-23)26(3,28)14-8-10-17)21(25(27)30-24)16-31-19-12-5-4-6-13-19/h4-6,10,12-13,18,20-24,28H,7-9,11,14-16H2,1-3H3/b17-10+/t18-,20+,21 ,22+,23+,24-,26-/m1/s1"	C[C@@H]1CCC/C(=C/CC[C@@]([C@@H]2C[C@@H]3[C@H]([C@H]1O2)OC(=O)C3CSC4=CC=CC=C4)(C)O)/C	KAWKSVZQTQFMCS-LHWUCHHOSA-N
DG62422	"(1S,2R,3R,4S,8E,12R,13S)-2,3,12-trihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadec-8-en-15-one"	5469630	NSC690972; NSC-690972	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690972	.	.	.	.	352.5	C20H32O5	87	540	2.4	25	3	5	0	"InChI=1S/C20H32O5/c1-12-7-5-9-13(2)17(21)18(22)15-11-16(25-19(23)14(15)3)20(4,24)10-6-8-12/h8,13,15-18,21-22,24H,3,5-7,9-11H2,1-2,4H3/b12-8+/t13-,15-,16-,17+,18+,20+/m0/s1"	C[C@H]1CCC/C(=C/CC[C@@]([C@@H]2C[C@H]([C@H]([C@@H]1O)O)C(=C)C(=O)O2)(C)O)/C	BUWBYKNJAXDGRB-JJFWNEBZSA-N
DG62423	NSC690974	5469632	"methyl 1-[(1S,4E,9S,10S,11R,12S,14R)-10,14-dihydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]cyclopropane-1-carboxylate; NSC690974; CHEMBL1994806; NSC-690974"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690974	.	.	.	.	380.5	C22H36O5	76	581	2.8	27	2	5	3	"InChI=1S/C22H36O5/c1-14-7-5-9-15(2)18(24)19-16(22(11-12-22)20(25)26-4)13-17(23)21(3,27-19)10-6-8-14/h8,15-19,23-24H,5-7,9-13H2,1-4H3/b14-8+/t15-,16+,17+,18-,19+,21-/m0/s1"	C[C@H]1CCC/C(=C/CC[C@]2([C@@H](C[C@H]([C@H]([C@H]1O)O2)C3(CC3)C(=O)OC)O)C)/C	KHHOOLUXFFPRTF-AHBGHTJRSA-N
DG62424	"N-[5-[(E)-3-[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indol-3-yl]-3-oxo-prop-1-enyl]-1-methyl-pyrrol-3-yl]butanamide"	5469644	"NSC691243; SCHEMBL8105856; SCHEMBL8105864; CHEMBL1979614; NSC-691243; 3-[(E)-4-(butyrylamino)-1-methyl-2-pyrroleacryloyl]-1-(chloromethyl)-5-nitro-1,2-dihydro-3H-benz[e]indole; Butanamide, N-[5-[(1E)-3-[1-(chloromethyl)-1,2-dihydro-5-nitro-3H-benz[e]indol-3-yl]-3-oxo-1-propenyl]-1-methyl-1H-pyrrol-3-yl]-; N-[5-[(E)-3-[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indol-3-yl]-3-oxo-prop-1-enyl]-1-methyl-pyrrol-3-yl]butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691243	.	.	.	.	480.9	C25H25ClN4O4	100	802	3.6	34	1	4	6	"InChI=1S/C25H25ClN4O4/c1-3-6-23(31)27-17-11-18(28(2)15-17)9-10-24(32)29-14-16(13-26)25-20-8-5-4-7-19(20)21(30(33)34)12-22(25)29/h4-5,7-12,15-16H,3,6,13-14H2,1-2H3,(H,27,31)/b10-9+"	CCCC(=O)NC1=CN(C(=C1)/C=C/C(=O)N2CC(C3=C2C=C(C4=CC=CC=C43)[N+](=O)[O-])CCl)C	NUCVRSVMWQIEPX-MDZDMXLPSA-N
DG62425	"(6Z)-6-[(3,4,5-trimethoxyphenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one"	5469698	"NSC691564; CHEMBL1990833; ZINC1652808; NSC-691564; (6Z)-6-[(3,4,5-trimethoxyphenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one; 5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-6-[(3,4,5-trimethoxyphenyl)methylene]-, (6Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691564	.	.	.	.	338.4	C21H22O4	44.8	472	4.5	25	0	4	4	"InChI=1S/C21H22O4/c1-23-18-12-14(13-19(24-2)21(18)25-3)11-16-9-6-8-15-7-4-5-10-17(15)20(16)22/h4-5,7,10-13H,6,8-9H2,1-3H3/b16-11-"	COC1=CC(=CC(=C1OC)OC)/C=C\\2/CCCC3=CC=CC=C3C2=O	ULNALHGZYSDIFI-WJDWOHSUSA-N
DG62426	"(4Z)-4-benzylidene-7-methyl-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-one"	5469701	"NSC691567; CHEMBL1992995; ZINC5846722; NSC-691567; (4Z)-4-benzylidene-7-methyl-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-one; 1-Benzothiepin-5(2H)-one, 3,4-dihydro-7-methyl-4-(phenylmethylene)-, 1,1-dioxide, (4Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691567	.	.	.	.	312.4	C18H16O3S	59.6	549	3.4	22	0	3	1	"InChI=1S/C18H16O3S/c1-13-7-8-17-16(11-13)18(19)15(9-10-22(17,20)21)12-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3/b15-12-"	CC1=CC2=C(C=C1)S(=O)(=O)CC/C(=C/C3=CC=CC=C3)/C2=O	LXZWDAWTTUFPMD-QINSGFPZSA-N
DG62427	Succinolide	5469752	Succinolide; CHEMBL482599; NSC692194; NSC-692194	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692194	.	.	.	.	332.4	C20H28O4	55.9	590	3.6	24	0	4	0	"InChI=1S/C20H28O4/c1-12-7-5-9-13(2)17(21)18-15(14(3)19(22)23-18)11-16-20(4,24-16)10-6-8-12/h8,13,15-16,18H,3,5-7,9-11H2,1-2,4H3/b12-8+/t13-,15-,16+,18-,20+/m0/s1"	C[C@H]1CCC/C(=C/CC[C@@]2([C@H](O2)C[C@@H]3[C@@H](C1=O)OC(=O)C3=C)C)/C	FGMVUGQMSRSYDL-UROCBLQDSA-N
DG62428	"2-[(E)-3,5-Dimethoxybenzylidene]-6,7-dimethoxytetralin-1-one"	5469759	"NSC692308; CHEMBL144125; NSC-692308; 2-[(E)-3,5-Dimethoxybenzylidene]-6,7-dimethoxytetralin-1-one; 2-(3,5-Dimethoxybenzylidene)-3,4-dihydro-6,7-dimethoxynaphthalene-1(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692308	.	.	.	.	354.4	C21H22O5	54	505	4	26	0	5	5	"InChI=1S/C21H22O5/c1-23-16-8-13(9-17(11-16)24-2)7-15-6-5-14-10-19(25-3)20(26-4)12-18(14)21(15)22/h7-12H,5-6H2,1-4H3/b15-7+"	COC1=CC(=CC(=C1)/C=C/2\\CCC3=CC(=C(C=C3C2=O)OC)OC)OC	GHAJFLOZIHUGDL-VIZOYTHASA-N
DG62429	"2-[(E)-3,5-Dimethoxybenzylidene]-5,6-dimethoxyindan-1-one"	5469760	"NSC692309; CHEMBL146071; NSC-692309; 2-[(E)-3,5-Dimethoxybenzylidene]-5,6-dimethoxyindan-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692309	.	.	.	.	340.4	C20H20O5	54	490	3.7	25	0	5	5	"InChI=1S/C20H20O5/c1-22-15-6-12(7-16(10-15)23-2)5-14-8-13-9-18(24-3)19(25-4)11-17(13)20(14)21/h5-7,9-11H,8H2,1-4H3/b14-5+"	COC1=CC(=CC(=C1)/C=C/2\\CC3=CC(=C(C=C3C2=O)OC)OC)OC	LVVJYQBHAUUDQL-LHHJGKSTSA-N
DG62430	"2-[(E)-3,5-Dimethylbenzylidene]-5,6-dimethoxyindan-1-one"	5469762	"NSC692313; CHEMBL358968; NSC-692313; 2-[(E)-3,5-Dimethylbenzylidene]-5,6-dimethoxyindan-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692313	.	.	.	.	308.4	C20H20O3	35.5	460	4.5	23	0	3	3	"InChI=1S/C20H20O3/c1-12-5-13(2)7-14(6-12)8-16-9-15-10-18(22-3)19(23-4)11-17(15)20(16)21/h5-8,10-11H,9H2,1-4H3/b16-8+"	CC1=CC(=CC(=C1)/C=C/2\\CC3=CC(=C(C=C3C2=O)OC)OC)C	GLIOHVRRZYGXPQ-LZYBPNLTSA-N
DG62431	NSC692744	5469771	"(4R,7S,10S,13S,15E,17R,19S)-7-[(4-hydroxy-3-iodophenyl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone; CHEMBL1996035; NSC692744; NSC-692744"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692744	.	.	.	.	733.6	C34H44IN3O7	145	1060	4.8	45	4	7	3	"InChI=1S/C34H44IN3O7/c1-19-13-20(2)15-22(4)45-31(41)18-28(25-8-10-26(39)11-9-25)37-33(43)29(17-24-7-12-30(40)27(35)16-24)38(6)34(44)23(5)36-32(42)21(3)14-19/h7-13,16,20-23,28-29,39-40H,14-15,17-18H2,1-6H3,(H,36,42)(H,37,43)/b19-13+/t20-,21-,22-,23-,28+,29-/m0/s1"	C[C@@H]\\1C[C@@H](OC(=O)C[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H](C/C(=C1)/C)C)C)C)CC2=CC(=C(C=C2)O)I)C3=CC=C(C=C3)O)C	XMXDDGCAJMJKDM-ISDDBSQYSA-N
DG62432	"2-[(E)-3,5-Dimethyl-4-hydroxybenzylidene]-5,6-dimethoxyindan-1-one"	5469772	"NSC692745; 225652-55-1; Indanorine; CHEMBL147579; DTXSID30420212; NSC-692745; 2-[(E)-3,5-Dimethyl-4-hydroxybenzylidene]-5,6-dimethoxyindan-1-one; 1H-Inden-1-one,3-dihydro-2-[(4-hydroxy-3,5-dimethylphenyl) methylene]-5,6-dimethoxy-, (2E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692745	.	.	.	.	324.4	C20H20O4	55.8	488	4.1	24	1	4	3	"InChI=1S/C20H20O4/c1-11-5-13(6-12(2)19(11)21)7-15-8-14-9-17(23-3)18(24-4)10-16(14)20(15)22/h5-7,9-10,21H,8H2,1-4H3/b15-7+"	CC1=CC(=CC(=C1O)C)/C=C/2\\CC3=CC(=C(C=C3C2=O)OC)OC	PSQKEAPNQHILIA-VIZOYTHASA-N
DG62433	"1-(1,2-Diphenylvinyl)-2-phenyl-3,5-pyrazolidinedione"	5469828	"NSC693122; CHEMBL1990297; NSC-693122; 1-(1,2-Diphenylvinyl)-2-phenyl-3,5-pyrazolidinedione; 1-[(E)-1,2-diphenylvinyl]-2-phenyl-pyrazolidine-3,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693122	.	.	.	.	354.4	C23H18N2O2	40.6	567	4.5	27	0	2	4	"InChI=1S/C23H18N2O2/c26-22-17-23(27)25(24(22)20-14-8-3-9-15-20)21(19-12-6-2-7-13-19)16-18-10-4-1-5-11-18/h1-16H,17H2/b21-16+"	C1C(=O)N(N(C1=O)/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3)C4=CC=CC=C4	CJSGWAAGUVCPFG-LTGZKZEYSA-N
DG62434	"(1E,3E)-1,4-Di(1-naphthyl)-2,3-dinitro-1,3-butadiene"	5469832	"NSC693130; CHEMBL254935; NSC-693130; (E,4-bis(1-naphthyl)-2,3-dinitro-1,3-butadiene; (1E,3E)-1,4-bis(1-naphthyl)-2,3-dinitro-1,3-butadiene; (1E,3E)-1,4-Di(1-naphthyl)-2,3-dinitro-1,3-butadiene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693130	.	.	.	.	396.4	C24H16N2O4	91.6	645	6.6	30	0	4	3	"InChI=1S/C24H16N2O4/c27-25(28)23(15-19-11-5-9-17-7-1-3-13-21(17)19)24(26(29)30)16-20-12-6-10-18-8-2-4-14-22(18)20/h1-16H/b23-15+,24-16+"	C1=CC=C2C(=CC=CC2=C1)/C=C(/[N+](=O)[O-])\\C(=C/C3=CC=CC4=CC=CC=C34)\\[N+](=O)[O-]	MDQLGVXVSCTKLA-DFEHQXHXSA-N
DG62435	"(1E,3E)-1,4-Bis(4-methoxyphenyl)-2,3-dinitro-1,3-butadiene"	5469834	"NSC693132; CHEMBL1985893; NSC-693132; 1, 1,4-bis(4-methoxyphenyl)-2,3-dinitro-; (1E,3E)-1,4-Bis(4-methoxyphenyl)-2,3-dinitro-1,3-butadiene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693132	.	.	.	.	356.3	C18H16N2O6	110	497	4	26	0	6	5	"InChI=1S/C18H16N2O6/c1-25-15-7-3-13(4-8-15)11-17(19(21)22)18(20(23)24)12-14-5-9-16(26-2)10-6-14/h3-12H,1-2H3/b17-11+,18-12+"	COC1=CC=C(C=C1)/C=C(/[N+](=O)[O-])\\C(=C/C2=CC=C(C=C2)OC)\\[N+](=O)[O-]	YWCRACKPLKNGNL-JYFOCSDGSA-N
DG62436	"3-[(E)-[(2E)-2-(dimethylcarbamothioylhydrazono)ethylidene]amino]-1,1-dimethyl-thiourea"	5469845	"NSC693322; CCG-36491; Ethanedial bis(N,N-dimethylthiosemicarbazone); 3-[(E)-[(2E)-2-(dimethylcarbamothioylhydrazono)ethylidene]amino]-1,1-dimethyl-thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693322	.	.	.	.	260.399	C8H16N6S2	119	267	0.4	16	2	4	3	"InChI=1S/C8H16N6S2/c1-13(2)7(15)11-9-5-6-10-12-8(16)14(3)4/h5-6H,1-4H3,(H,11,15)(H,12,16)/b9-5+,10-6+"	CN(C(=S)N/N=C/C=N/NC(=S)N(C)C)C	UERVCLJOOHYLKQ-NXZHAISVSA-N
DG62437	"(2Z)-10-azido-6,7,14,15-tetramethoxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene"	5469850	"NSC693413; CHEMBL2002236; NSC-693413; (5Z)-12-azido-2,3,8,9-tetramethoxy-11,12-dihydrodibenzo[[ ],[ ]][8]annulene; 1-(2,3,8,9-Tetramethoxy-5,6-dihydrodibenzo[a,e]cycloocten-5-yl)-2.lambda.~5~-1,2-triazadiene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693413	.	.	.	.	367.4	C20H21N3O4	51.3	565	5.2	27	0	6	5	"InChI=1S/C20H21N3O4/c1-24-17-8-12-5-6-13-9-18(25-2)20(27-4)11-15(13)16(22-23-21)7-14(12)10-19(17)26-3/h5-6,8-11,16H,7H2,1-4H3/b6-5-"	COC1=C(C=C2/C=C\\C3=CC(=C(C=C3C(CC2=C1)N=[N+]=[N-])OC)OC)OC	ORIWKZIIDDFSKY-WAYWQWQTSA-N
DG62438	NSC693563	5469857	"N-[5-[(E)-3-[8-(chloromethyl)-1-methyl-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-3-oxoprop-1-enyl]-1-methylpyrrol-3-yl]butanamide; NSC693563; CHEMBL1996807; NSC-693563"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693563	.	.	.	.	545.1	C31H33ClN4O3	79.4	880	4.5	39	2	3	9	"InChI=1S/C31H33ClN4O3/c1-4-8-27(37)34-23-13-24(35(3)18-23)11-12-28(38)36-17-22(15-32)30-25(36)14-26(31-29(30)20(2)16-33-31)39-19-21-9-6-5-7-10-21/h5-7,9-14,16,18,22,33H,4,8,15,17,19H2,1-3H3,(H,34,37)/b12-11+"	CCCC(=O)NC1=CN(C(=C1)/C=C/C(=O)N2CC(C3=C4C(=CNC4=C(C=C32)OCC5=CC=CC=C5)C)CCl)C	XVTRMGSERVBUFQ-VAWYXSNFSA-N
DG62439	"N,N-dimethyl-4-[(Z)-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]aniline;trifluoromethanesulfonate"	5469858	NSC693571	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693571	.	.	.	.	527.6	C27H24F3N3O3S	77.6	729	.	37	0	7	3	"InChI=1S/C26H24N3.CHF3O3S/c1-27(2)21-15-13-19(14-16-21)17-23-22-11-7-8-12-24(22)29-26(23)18-25(28(29)3)20-9-5-4-6-10-20;2-1(3,4)8(5,6)7/h4-18H,1-3H3;(H,5,6,7)/q+1;/p-1"	C[N+]1=C(C=C\\2N1C3=CC=CC=C3/C2=C/C4=CC=C(C=C4)N(C)C)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]	GWIVOWYTVDQWOM-UHFFFAOYSA-M
DG62440	"4-[(Z)-(6-methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate"	5469860	NSC693572; NSC-693572	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693572	.	.	.	.	557.6	C28H26F3N3O4S	86.9	779	.	39	0	8	4	"InChI=1S/C27H26N3O.CHF3O3S/c1-28(2)21-12-10-19(11-13-21)16-23-24-17-22(31-4)14-15-25(24)30-27(23)18-26(29(30)3)20-8-6-5-7-9-20;2-1(3,4)8(5,6)7/h5-18H,1-4H3;(H,5,6,7)/q+1;/p-1"	C[N+]1=C(C=C\\2N1C3=C(/C2=C/C4=CC=C(C=C4)N(C)C)C=C(C=C3)OC)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]	JEZUKWCZEZNHEA-UHFFFAOYSA-M
DG62441	"(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-6-ol;trifluoromethanesulfonate"	5469862	MLS002702423; NSC693573; NSC-693573	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693573	.	.	.	.	543.6	C27H24F3N3O4S	97.9	764	.	38	1	8	3	"InChI=1S/C26H23N3O.CHF3O3S/c1-27(2)20-11-9-18(10-12-20)15-22-23-16-21(30)13-14-24(23)29-26(22)17-25(28(29)3)19-7-5-4-6-8-19;2-1(3,4)8(5,6)7/h4-17H,1-3H3;(H,5,6,7)"	C[N+]1=C(C=C\\2N1C3=C(/C2=C/C4=CC=C(C=C4)N(C)C)C=C(C=C3)O)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]	FCWQEEIPUGZKHR-UHFFFAOYSA-N
DG62442	"N,N-dimethyl-4-[(E)-2-(1-methyl-2,5-diphenylpyrazol-1-ium-3-yl)ethenyl]aniline;trifluoromethanesulfonate"	5469868	NSC693576; CHEMBL1985831; NSC-693576	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693576	.	.	.	.	529.6	C27H26F3N3O3S	77.6	655	.	37	0	7	5	"InChI=1S/C26H26N3.CHF3O3S/c1-27(2)23-17-14-21(15-18-23)16-19-25-20-26(22-10-6-4-7-11-22)28(3)29(25)24-12-8-5-9-13-24;2-1(3,4)8(5,6)7/h4-20H,1-3H3;(H,5,6,7)/q+1;/p-1"	C[N+]1=C(C=C(N1C2=CC=CC=C2)/C=C/C3=CC=C(C=C3)N(C)C)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]	LBTIJJHGPFFAPZ-UHFFFAOYSA-M
DG62443	"Uracil,2-bis(ethoxycarbonyl)ethenyl]-3-propynyl-, (Z)-"	5469884	"NSC693983; CHEMBL1993334; 2-Butenedioic acid, 2-(1,2,3,4-tetrahydro-2,4-dioxo-3-propynyl-1-pyrimidinyl)-, diethyl ester; NSC-693983; Uracil,2-bis(ethoxycarbonyl)ethenyl]- 3-propynyl-, (Z)-; Maleic acid,2,3,4-tetrahydro-2,4-dioxo-3-propynyl-1-pyrimidinyl)-, diethyl ester; Pyrimidine-2,3H)-dione, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-3-propynyl-, (Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693983	.	.	.	.	320.3	C15H16N2O6	93.2	625	0.3	23	0	6	8	"InChI=1S/C15H16N2O6/c1-4-8-17-12(18)7-9-16(15(17)21)11(14(20)23-6-3)10-13(19)22-5-2/h1,7,9-10H,5-6,8H2,2-3H3/b11-10-"	CCOC(=O)/C=C(/C(=O)OCC)\\N1C=CC(=O)N(C1=O)CC#C	ZBTXGWUFKXPJEY-KHPPLWFESA-N
DG62444	"Uracil,2-bis(ethoxycarbonyl)ethenyl]-3-propynyl-, (E)-"	5469885	"CHEMBL1990640; 2-Butenedioic acid, 2-(1,2,3,4-tetrahydro-2,4-dioxo-3-propynyl-1-pyrimidinyl)-, diethyl ester; NSC693984; NSC-693984; Uracil,2-bis(ethoxycarbonyl)ethenyl]- 3-propynyl-, (E)-; Fumaric acid,2,3,4-tetrahydro-2,4-dioxo-3-propynyl-1-pyrimidinyl)-, diethyl ester; Pyrimidine-2,3H)-dione, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-3-propynyl-, (E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693984	.	.	.	.	320.3	C15H16N2O6	93.2	625	0.3	23	0	6	8	"InChI=1S/C15H16N2O6/c1-4-8-17-12(18)7-9-16(15(17)21)11(14(20)23-6-3)10-13(19)22-5-2/h1,7,9-10H,5-6,8H2,2-3H3/b11-10+"	CCOC(=O)/C=C(\\C(=O)OCC)/N1C=CC(=O)N(C1=O)CC#C	ZBTXGWUFKXPJEY-ZHACJKMWSA-N
DG62445	"Thymine,2-bis(ethoxycarbonyl)ethenyl]-3-propynyl-, (Z)-"	5469886	"CHEMBL1981171; 2-Butenedioic acid, 2-(1,2,3,4-tetrahydro-5-methyl-2,4-dioxo-3-propynyl-1-pyrimidinyl)-, diethyl ester; NSC693985; NSC-693985; Thymine,2-bis(ethoxycarbonyl)ethenyl]- 3-propynyl-, (Z)-; Maleic acid,2,3,4-tetrahydro-5-methyl-2,4-dioxo-3-propynyl-1-pyrimidinyl)-, diethyl ester; Pyrimidine-2,3H)-dione, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-5-methyl-3-propynyl-, (Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693985	.	.	.	.	334.32	C16H18N2O6	93.2	667	0.7	24	0	6	8	"InChI=1S/C16H18N2O6/c1-5-8-17-14(20)11(4)10-18(16(17)22)12(15(21)24-7-3)9-13(19)23-6-2/h1,9-10H,6-8H2,2-4H3/b12-9-"	CCOC(=O)/C=C(/C(=O)OCC)\\N1C=C(C(=O)N(C1=O)CC#C)C	DFSVUYODOIWHBI-XFXZXTDPSA-N
DG62446	"Thymine,2-bis(ethoxycarbonyl)ethenyl]-3-propynyl-, (E)-"	5469887	"CHEMBL1967363; 2-Butenedioic acid, 2-(1,2,3,4-tetrahydro-5-methyl-2,4-dioxo-3-propynyl-1-pyrimidinyl)-, diethyl ester; NSC693986; NSC-693986; Thymine,2-bis(ethoxycarbonyl)ethenyl]- 3-propynyl-, (E)-; Fumaric acid,2,3,4-tetrahydro-5-methyl-2,4-dioxo-3-propynyl-1-pyrimidinyl)-, diethyl ester; Pyrimidine-2,3H)-dione, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-5-methyl-3-propynyl-, (E)-,"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693986	.	.	.	.	334.32	C16H18N2O6	93.2	667	0.7	24	0	6	8	"InChI=1S/C16H18N2O6/c1-5-8-17-14(20)11(4)10-18(16(17)22)12(15(21)24-7-3)9-13(19)23-6-2/h1,9-10H,6-8H2,2-4H3/b12-9+"	CCOC(=O)/C=C(\\C(=O)OCC)/N1C=C(C(=O)N(C1=O)CC#C)C	DFSVUYODOIWHBI-FMIVXFBMSA-N
DG62447	"diethyl (Z)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	5469888	CHEMBL1989290; NSC693987; NSC-693987	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693987	.	.	.	.	479.4	C20H25N5O9	160	844	-0.8	34	0	11	15	"InChI=1S/C20H25N5O9/c1-4-32-18(28)10-16(19(29)33-5-2)24-7-6-17(27)25(20(24)30)12-15-11-23(22-21-15)13-31-8-9-34-14(3)26/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3/b16-10-"	CCOC(=O)/C=C(/C(=O)OCC)\\N1C=CC(=O)N(C1=O)CC2=CN(N=N2)COCCOC(=O)C	XJIIQYDLGGPEBE-YBEGLDIGSA-N
DG62448	"diethyl (Z)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	5469889	NSC693988; CHEMBL1986347; NSC-693988	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693988	.	.	.	.	479.4	C20H25N5O9	160	844	-0.8	34	0	11	15	"InChI=1S/C20H25N5O9/c1-4-32-18(28)10-16(19(29)33-5-2)23-7-6-17(27)24(20(23)30)12-15-11-21-22-25(15)13-31-8-9-34-14(3)26/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3/b16-10-"	CCOC(=O)/C=C(/C(=O)OCC)\\N1C=CC(=O)N(C1=O)CC2=CN=NN2COCCOC(=O)C	MFRQIIGXALISSY-YBEGLDIGSA-N
DG62449	"diethyl (Z)-2-[3-[[3-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	5469891	NSC693990; CHEMBL2002015; NSC-693990	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693990	.	.	.	.	477.5	C21H27N5O8	150	843	0	34	0	10	15	"InChI=1S/C21H27N5O8/c1-4-32-19(29)12-17(20(30)33-5-2)24-10-8-18(28)25(21(24)31)14-16-13-22-23-26(16)9-6-7-11-34-15(3)27/h8,10,12-13H,4-7,9,11,14H2,1-3H3/b17-12-"	CCOC(=O)/C=C(/C(=O)OCC)\\N1C=CC(=O)N(C1=O)CC2=CN=NN2CCCCOC(=O)C	NUGBRNBQTLBKPJ-ATVHPVEESA-N
DG62450	"diethyl (E)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	5469892	NSC693991; CHEMBL1965906; NSC-693991	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693991	.	.	.	.	479.4	C20H25N5O9	160	844	-0.8	34	0	11	15	"InChI=1S/C20H25N5O9/c1-4-32-18(28)10-16(19(29)33-5-2)24-7-6-17(27)25(20(24)30)12-15-11-23(22-21-15)13-31-8-9-34-14(3)26/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3/b16-10+"	CCOC(=O)/C=C(\\C(=O)OCC)/N1C=CC(=O)N(C1=O)CC2=CN(N=N2)COCCOC(=O)C	XJIIQYDLGGPEBE-MHWRWJLKSA-N
DG62451	"diethyl (E)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	5469893	CHEMBL1988931; NSC693992; NSC-693992	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693992	.	.	.	.	479.4	C20H25N5O9	160	844	-0.8	34	0	11	15	"InChI=1S/C20H25N5O9/c1-4-32-18(28)10-16(19(29)33-5-2)23-7-6-17(27)24(20(23)30)12-15-11-21-22-25(15)13-31-8-9-34-14(3)26/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3/b16-10+"	CCOC(=O)/C=C(\\C(=O)OCC)/N1C=CC(=O)N(C1=O)CC2=CN=NN2COCCOC(=O)C	MFRQIIGXALISSY-MHWRWJLKSA-N
DG62452	"diethyl (E)-2-[3-[[1-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	5469894	CHEMBL1974523; NSC693993; NSC-693993	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693993	.	.	.	.	477.5	C21H27N5O8	150	843	0	34	0	10	15	"InChI=1S/C21H27N5O8/c1-4-32-19(29)12-17(20(30)33-5-2)25-10-8-18(28)26(21(25)31)14-16-13-24(23-22-16)9-6-7-11-34-15(3)27/h8,10,12-13H,4-7,9,11,14H2,1-3H3/b17-12+"	CCOC(=O)/C=C(\\C(=O)OCC)/N1C=CC(=O)N(C1=O)CC2=CN(N=N2)CCCCOC(=O)C	NSZSPICERMRNJM-SFQUDFHCSA-N
DG62453	"diethyl (Z)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	5469896	CHEMBL1966153; NSC693995; NSC-693995	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693995	.	.	.	.	493.5	C21H27N5O9	160	888	-0.4	35	0	11	15	"InChI=1S/C21H27N5O9/c1-5-33-18(28)9-17(20(30)34-6-2)25-10-14(3)19(29)26(21(25)31)12-16-11-24(23-22-16)13-32-7-8-35-15(4)27/h9-11H,5-8,12-13H2,1-4H3/b17-9-"	CCOC(=O)/C=C(/C(=O)OCC)\\N1C=C(C(=O)N(C1=O)CC2=CN(N=N2)COCCOC(=O)C)C	NGINMNILOKAJNP-MFOYZWKCSA-N
DG62454	"diethyl (Z)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	5469897	NSC693996; CHEMBL2000387; NSC-693996	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693996	.	.	.	.	493.5	C21H27N5O9	160	888	-0.4	35	0	11	15	"InChI=1S/C21H27N5O9/c1-5-33-18(28)9-17(20(30)34-6-2)24-11-14(3)19(29)25(21(24)31)12-16-10-22-23-26(16)13-32-7-8-35-15(4)27/h9-11H,5-8,12-13H2,1-4H3/b17-9-"	CCOC(=O)/C=C(/C(=O)OCC)\\N1C=C(C(=O)N(C1=O)CC2=CN=NN2COCCOC(=O)C)C	WTJLPHBHHWAOPN-MFOYZWKCSA-N
DG62455	"diethyl (Z)-2-[3-[[1-(4-acetyloxybutyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	5469898	NSC693997; CHEMBL1982250; NSC-693997	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693997	.	.	.	.	491.5	C22H29N5O8	150	887	0.4	35	0	10	15	"InChI=1S/C22H29N5O8/c1-5-33-19(29)11-18(21(31)34-6-2)26-12-15(3)20(30)27(22(26)32)14-17-13-25(24-23-17)9-7-8-10-35-16(4)28/h11-13H,5-10,14H2,1-4H3/b18-11-"	CCOC(=O)/C=C(/C(=O)OCC)\\N1C=C(C(=O)N(C1=O)CC2=CN(N=N2)CCCCOC(=O)C)C	HSFWRICAOGAAGF-WQRHYEAKSA-N
DG62456	"diethyl (Z)-2-[3-[[3-(4-acetyloxybutyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	5469899	NSC693998; CHEMBL1995642; NSC-693998	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693998	.	.	.	.	491.5	C22H29N5O8	150	887	0.4	35	0	10	15	"InChI=1S/C22H29N5O8/c1-5-33-19(29)11-18(21(31)34-6-2)25-13-15(3)20(30)26(22(25)32)14-17-12-23-24-27(17)9-7-8-10-35-16(4)28/h11-13H,5-10,14H2,1-4H3/b18-11-"	CCOC(=O)/C=C(/C(=O)OCC)\\N1C=C(C(=O)N(C1=O)CC2=CN=NN2CCCCOC(=O)C)C	SYYDYBJDOSRRFB-WQRHYEAKSA-N
DG62457	"diethyl (E)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	5469900	NSC693999; CHEMBL1975514; NSC-693999	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693999	.	.	.	.	493.5	C21H27N5O9	160	888	-0.4	35	0	11	15	"InChI=1S/C21H27N5O9/c1-5-33-18(28)9-17(20(30)34-6-2)25-10-14(3)19(29)26(21(25)31)12-16-11-24(23-22-16)13-32-7-8-35-15(4)27/h9-11H,5-8,12-13H2,1-4H3/b17-9+"	CCOC(=O)/C=C(\\C(=O)OCC)/N1C=C(C(=O)N(C1=O)CC2=CN(N=N2)COCCOC(=O)C)C	NGINMNILOKAJNP-RQZCQDPDSA-N
DG62458	"Fumaric acid,2,3-triazol-4-yl]methyl]-1,2,3,4-tetrahydro-5-methyl-2,4-dioxo-1-pyrimidinyl]-, diethyl ester"	5469901	"CHEMBL1967047; NSC694000; NSC-694000; 2-Butenedioic acid, 2-[3-[[[[2-(acetyloxy)ethoxy] methyl]-3H-1,2,3-triazol-4-yl]methyl]- 1,2,3,4-tetrahydro-5-methyl-2,4-dioxo-1-pyrimidinyl]-,diethyl ester; Fumaric acid,2,3-triazol-4-yl]methyl]-1,2,3,4-tetrahydro-5-methyl-2,4-dioxo-1-pyrimidinyl]-, diethyl ester; Pyrimidine-2,3H)-dione, 1-[1,2-bis(ethoxycarbonyl) ethenyl]-3-[[[[2-(acetyloxy)ethoxy]methyl]-3H-1,2,3-triazol-4-yl]methyl]-5-methyl-, (E)-; Thymine,2-bis(ethoxycarbonyl)ethenyl]- 3-[[[[2-(acetyloxy)ethoxy]methyl]-3H-1,2,3-triazol- 4-yl]methyl]-, (E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694000	.	.	.	.	493.5	C21H27N5O9	160	888	-0.4	35	0	11	15	"InChI=1S/C21H27N5O9/c1-5-33-18(28)9-17(20(30)34-6-2)24-11-14(3)19(29)25(21(24)31)12-16-10-22-23-26(16)13-32-7-8-35-15(4)27/h9-11H,5-8,12-13H2,1-4H3/b17-9+"	CCOC(=O)/C=C(\\C(=O)OCC)/N1C=C(C(=O)N(C1=O)CC2=CN=NN2COCCOC(=O)C)C	WTJLPHBHHWAOPN-RQZCQDPDSA-N
DG62459	"Thymine,2-bis(ethoxycarbonyl)ethenyl]-3-[[4-[(acetyloxy)butyl]-1H-1,2,3-triazol-4-yl]methyl]-, (E)-"	5469902	"CHEMBL1993672; NSC694001; NSC-694001; 2-Butenedioic acid, 2-[3-[[[4-(acetyloxy)butyl]- 1H-1,2,3-triazol-4-yl]methyl]-1,2,3,4-tetrahydro-5-methyl-2,4-dioxo-1-pyrimidinyl]-, diethyl ester; Fumaric acid ,2,3- triazol-4-yl]methyl]-1,2,3,4-tetrahydro-5-methyl-2,4-dioxo-1-pyrimidinyl]-, diethyl ester; Pyrimidine-2,3H)-dione, 1-[1,2-bis(ethoxycarbonyl) ethenyl]-5-methyl-3-[[4-[(acetyloxy)butyl]-1H-1,2,3-triazol-4-yl]methyl]-, (E)-; Thymine,2-bis(ethoxycarbonyl)ethenyl]- 3-[[4-[(acetyloxy)butyl]-1H-1,2,3-triazol-4-yl]methyl]-, (E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694001	.	.	.	.	491.5	C22H29N5O8	150	887	0.4	35	0	10	15	"InChI=1S/C22H29N5O8/c1-5-33-19(29)11-18(21(31)34-6-2)26-12-15(3)20(30)27(22(26)32)14-17-13-25(24-23-17)9-7-8-10-35-16(4)28/h11-13H,5-10,14H2,1-4H3/b18-11+"	CCOC(=O)/C=C(\\C(=O)OCC)/N1C=C(C(=O)N(C1=O)CC2=CN(N=N2)CCCCOC(=O)C)C	HSFWRICAOGAAGF-WOJGMQOQSA-N
DG62460	"Thymine,2-bis(ethoxycarbonyl)ethenyl]-3-[3-[[4-(acetyloxy)butyl]-3H-1,2,3-triazol-4-yl]methyl]-, (E)-"	5469903	"CHEMBL1989246; NSC694002; NSC-694002; 2-Butenedioic acid, 2-[3-[[[4-(acetyloxy)butyl]- 3H-1,2,3-triazol-4-yl]methyl]-1,2,3,4-tetrahydro-5-methyl-2,4-dioxo-1-pyrimidinyl]-, diethyl ester; Fumaric acid,2,3- triazol-4-yl]methyl]-1,2,3,4-tetrahydro-5-methyl-2,4-dioxo-1-pyrimidinyl]-, diethyl ester; Pyrimidine-2,3H)-dione, 3-[3-[[4-(acetyloxy)butyl]- 3H-1,2,3-triazol-4-yl]methyl]-1-[1,2-bis(ethoxycarbonyl)ethenyl]-5-methyl-, (E)-; Thymine,2-bis(ethoxycarbonyl)ethenyl]- 3-[3-[[4-(acetyloxy)butyl]-3H-1,2,3-triazol-4-yl]methyl]-, (E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694002	.	.	.	.	491.5	C22H29N5O8	150	887	0.4	35	0	10	15	"InChI=1S/C22H29N5O8/c1-5-33-19(29)11-18(21(31)34-6-2)25-13-15(3)20(30)26(22(25)32)14-17-12-23-24-27(17)9-7-8-10-35-16(4)28/h11-13H,5-10,14H2,1-4H3/b18-11+"	CCOC(=O)/C=C(\\C(=O)OCC)/N1C=C(C(=O)N(C1=O)CC2=CN=NN2CCCCOC(=O)C)C	SYYDYBJDOSRRFB-WOJGMQOQSA-N
DG62461	"(1S,2R,6E,10R,11S,12R,16S)-2-hydroxy-2,6,10-trimethyl-15-methylidene-13,18-dioxatricyclo[9.6.1.012,16]octadec-6-en-14-one"	5469904	NSC694074; NSC-694074	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694074	.	.	.	.	334.4	C20H30O4	55.8	552	3.2	24	1	4	0	"InChI=1S/C20H30O4/c1-12-7-5-9-13(2)17-18-15(14(3)19(21)24-18)11-16(23-17)20(4,22)10-6-8-12/h7,13,15-18,22H,3,5-6,8-11H2,1-2,4H3/b12-7+/t13-,15+,16+,17+,18-,20-/m1/s1"	C[C@@H]1CC/C=C(/CCC[C@@]([C@@H]2C[C@@H]3[C@H]([C@H]1O2)OC(=O)C3=C)(C)O)\\C	QVPVSSAPUVLMJP-NLFWLNTISA-N
DG62462	NSC694075	5469905	"(3aS,5R,9E,14S,15R,15aR)-3,6-Dimethylene-10,14-dimethyl-5,15-dihydroxy-2,3,3a,4,5,6,7,8,11,12,13,14,15,15a-tetradecahydrocyclotetradeca[b]furan-2-one; NSC694075; CHEMBL1975287; NSC-694075; (3aS,5R,9E,14S,15R,15aR)-3,6-Dimethylene-10,14-dimethyl-5,15-dihydroxy-2,3,3a,4,5,6,7,8,11,12,13,14,15,15a-tetradecahydrocyclotetradeca[b]furan-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694075	.	.	.	.	334.4	C20H30O4	66.8	534	3	24	2	4	0	"InChI=1S/C20H30O4/c1-12-7-5-9-13(2)17(21)11-16-15(4)20(23)24-19(16)18(22)14(3)10-6-8-12/h7,14,16-19,21-22H,2,4-6,8-11H2,1,3H3/b12-7+/t14-,16-,17+,18+,19+/m0/s1"	C[C@H]1CCC/C(=C/CCC(=C)[C@@H](C[C@@H]2[C@H]([C@@H]1O)OC(=O)C2=C)O)/C	SQZQILNEYFKUMI-YSIFGUBHSA-N
DG62463	"12,13-bis-epi-Eupalmerin"	5469941	"NSC694509; 12,13-bis-epi-Eupalmerin; CHEMBL2000838; NSC-694509"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694509	.	.	.	.	334.4	C20H30O4	59.1	552	3.4	24	1	4	0	"InChI=1S/C20H30O4/c1-12-7-5-9-13(2)17(21)18-15(14(3)19(22)23-18)11-16-20(4,24-16)10-6-8-12/h8,13,15-18,21H,3,5-7,9-11H2,1-2,4H3/b12-8+/t13-,15+,16-,17+,18-,20-/m1/s1"	C[C@@H]1CCC/C(=C/CC[C@@]2([C@H](O2)C[C@@H]3[C@H]([C@H]1O)OC(=O)C3=C)C)/C	SCMBIOHRSHWIJT-QBFCQSESSA-N
DG62464	diethylcarbamothioyl (E)-N-(diethylcarbamothioyl)benzenecarboximidothioate	5469946	NSC694569; diethylcarbamothioyl (E)-N-(diethylcarbamothioyl)benzenecarboximidothioate; (((Diethylamino)carbothioyl)imino)(phenyl)methyl diethyldithiocarbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694569	.	.	.	.	367.6	C17H25N3S3	108	409	4.8	23	0	3	7	"InChI=1S/C17H25N3S3/c1-5-19(6-2)16(21)18-15(14-12-10-9-11-13-14)23-17(22)20(7-3)8-4/h9-13H,5-8H2,1-4H3/b18-15+"	CCN(CC)C(=S)/N=C(\\C1=CC=CC=C1)/SC(=S)N(CC)CC	ICYQVTHBPCBIFP-OBGWFSINSA-N
DG62465	"(1'-methyl-2'-oxospiro[cyclohex-2-ene-4,3'-indole]-1-yl) N-[(1R)-1-naphthalen-1-ylethyl]carbamate"	5469947	NSC694673; CHEMBL1998463; NSC-694673; NCI60_033887	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694673	.	.	.	.	426.5	C27H26N2O3	58.6	751	4.8	32	1	3	4	"InChI=1S/C27H26N2O3/c1-18(21-11-7-9-19-8-3-4-10-22(19)21)28-26(31)32-20-14-16-27(17-15-20)23-12-5-6-13-24(23)29(2)25(27)30/h3-14,16,18,20H,15,17H2,1-2H3,(H,28,31)/t18-,20 ,27 /m1/s1"	C[C@H](C1=CC=CC2=CC=CC=C21)NC(=O)OC3CCC4(C=C3)C5=CC=CC=C5N(C4=O)C	SPQSFTDYXUMGEZ-FYPSYCSSSA-N
DG62466	"2-(2,2-Dimethoxyethyl)-N-(2-iodophenyl)-4-((triisopropylsilyl)oxy)-2-butenamide"	5469952	"NSC694684; CHEMBL1969427; NSC-694684; (Z)-2-(2,2-dimethoxyethyl)-N-(2-iodophenyl)-4-triisopropylsilyloxy-but-2-enamide; 2-(2,2-Dimethoxyethyl)-N-(2-iodophenyl)-4-((triisopropylsilyl)oxy)-2-butenamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694684	.	.	.	.	547.5	C23H38INO4Si	56.8	528	.	30	1	4	12	"InChI=1S/C23H38INO4Si/c1-16(2)30(17(3)4,18(5)6)29-14-13-19(15-22(27-7)28-8)23(26)25-21-12-10-9-11-20(21)24/h9-13,16-18,22H,14-15H2,1-8H3,(H,25,26)/b19-13-"	CC(C)[Si](C(C)C)(C(C)C)OC/C=C(/CC(OC)OC)\\C(=O)NC1=CC=CC=C1I	UODVZPJYNFTMQO-UYRXBGFRSA-N
DG62467	"3-(2,2-dimethoxyethyl)-3-[(E)-2-triisopropylsilyloxyvinyl]-1-(2-trimethylsilylethoxymethyl)indolin-2-one"	5469954	"NSC694687; CHEMBL2006106; NSC-694687; 3-(2,2-Dimethoxyethyl)-3-(2-((triisopropylsilyl)oxy)vinyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1,3-dihydro-2H-indol-2-one; 3-(2,2-dimethoxyethyl)-3-[(E)-2-triisopropylsilyloxyvinyl]-1-(2-trimethylsilylethoxymethyl)indolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694687	.	.	.	.	549.9	C29H51NO5Si2	57.2	725	.	37	0	5	15	"InChI=1S/C29H51NO5Si2/c1-22(2)37(23(3)4,24(5)6)35-17-16-29(20-27(32-7)33-8)25-14-12-13-15-26(25)30(28(29)31)21-34-18-19-36(9,10)11/h12-17,22-24,27H,18-21H2,1-11H3/b17-16+"	CC(C)[Si](C(C)C)(C(C)C)O/C=C/C1(C2=CC=CC=C2N(C1=O)COCC[Si](C)(C)C)CC(OC)OC	SYNCAQZFBVDRAD-WUKNDPDISA-N
DG62468	"(2E)-N-(2-iodophenyl)-N,3,3-trimethyl-2-[2-tri(propan-2-yl)silyloxyethylidene]pent-4-enamide"	5469957	NSC694692; CHEMBL1995166; NSC-694692	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694692	.	.	.	.	541.6	C25H40INO2Si	29.5	591	.	30	0	2	10	"InChI=1S/C25H40INO2Si/c1-11-25(8,9)21(24(28)27(10)23-15-13-12-14-22(23)26)16-17-29-30(18(2)3,19(4)5)20(6)7/h11-16,18-20H,1,17H2,2-10H3/b21-16-"	CC(C)[Si](C(C)C)(C(C)C)OC/C=C(/C(=O)N(C)C1=CC=CC=C1I)\\C(C)(C)C=C	GZYVEYSDFNCWHY-PGMHBOJBSA-N
DG62469	ethyl 5-[(2E)-2-cyano-2-pyrrolidin-2-ylideneacetyl]-1-methylpyrrole-2-carboxylate	5469963	NSC694955; CHEMBL1969188; NSC-694955	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694955	.	.	.	.	287.31	C15H17N3O3	84.1	518	1.8	21	1	5	5	"InChI=1S/C15H17N3O3/c1-3-21-15(20)13-7-6-12(18(13)2)14(19)10(9-16)11-5-4-8-17-11/h6-7,17H,3-5,8H2,1-2H3/b11-10+"	CCOC(=O)C1=CC=C(N1C)C(=O)/C(=C/2\\CCCN2)/C#N	ILTZUNCDJGOAKU-ZHACJKMWSA-N
DG62470	Haliclonacylamine-A	5469974	Haliclonacylamine-A; 179733-14-3; NSC695020; CHEMBL1988806; DTXSID50420214; NSC-695020	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695020	.	.	.	.	468.8	C32H56N2	6.5	596	9.3	34	0	2	0	"InChI=1S/C32H56N2/c1-2-5-10-14-18-23-34-26-29-19-15-11-7-4-6-9-13-17-22-33-24-21-32(31(25-29)28-34)30(27-33)20-16-12-8-3-1/h2,4-6,29-32H,1,3,7-28H2/b5-2-,6-4-/t29-,30+,31+,32-/m0/s1"	C1CCC[C@@H]2CN3CCCC/C=C\\CCCC[C@H]4C[C@@H]([C@H]2CC3)CN(C4)CCCC/C=C\\CC1	JANRLKRLOULGGB-MRYHGRHFSA-N
DG62471	"1,2-Bis[3-(3,4-diacetoxyphenyl)-propenoyloxy]ethane"	5469976	"NSC695040; CHEMBL30522; BDBM50076265; NSC-695040; Bis(3,4-diacetoxycinnamic acid)ethylene ester; O,O-Bis(3,4-diacetoxycinnamoyl)-1,2-ethanediol; 1,2-Bis[3-(3,4-diacetoxyphenyl)-propenoyloxy]ethane; (E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 2-[(E)-3-(3,4-diacetoxy-phenyl)-acryloyloxy]-ethyl ester; 2-[(E)-3-(3,4-diacetoxyphenyl)prop-2-enoyl]oxyethyl (E)-3-(3,4-diacetoxyphenyl)prop-2-enoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695040	.	.	.	.	554.5	C28H26O12	158	906	3.2	40	0	12	17	"InChI=1S/C28H26O12/c1-17(29)37-23-9-5-21(15-25(23)39-19(3)31)7-11-27(33)35-13-14-36-28(34)12-8-22-6-10-24(38-18(2)30)26(16-22)40-20(4)32/h5-12,15-16H,13-14H2,1-4H3/b11-7+,12-8+"	CC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)OCCOC(=O)/C=C/C2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C	QETYVBBQYZJOIU-MKICQXMISA-N
DG62472	1-(1H-Benzimidazol-2-yl)-3-(4-methoxyphenyl)-2-propen-1-one	5469980	"1-(1H-Benzimidazol-2-yl)-3-(4-methoxyphenyl)-2-propen-1-one; NSC695163; 20224-09-3; (E)-1-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one; 2-(p-Methoxycinnamoyl)benzimidazole; 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-; CHEMBL1997726; ZINC4114697; AKOS002675649; NSC-695163; AE-842/31981001"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695163	.	.	.	.	278.3	C17H14N2O2	55	388	3.6	21	1	3	4	"InChI=1S/C17H14N2O2/c1-21-13-9-6-12(7-10-13)8-11-16(20)17-18-14-4-2-3-5-15(14)19-17/h2-11H,1H3,(H,18,19)/b11-8+"	COC1=CC=C(C=C1)/C=C/C(=O)C2=NC3=CC=CC=C3N2	QSCCDAGMEXKGHL-DHZHZOJOSA-N
DG62473	(E)-1-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one	5469981	"NSC695164; CHEMBL1982501; (E)-1-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one; CCG-36407; NSC-695164; 2-Propen-1-one, 1-(2-benzimidazolyl)-3-(4-nitrophenyl)-; 1-(1H-Benzimidazol-2-yl)-3-(4-(hydroxy(oxido)amino)phenyl)-2-propen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695164	.	.	.	.	293.28	C16H11N3O3	91.6	452	3.4	22	1	4	3	"InChI=1S/C16H11N3O3/c20-15(16-17-13-3-1-2-4-14(13)18-16)10-7-11-5-8-12(9-6-11)19(21)22/h1-10H,(H,17,18)/b10-7+"	C1=CC=C2C(=C1)NC(=N2)C(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]	SVCFXEJYYFCQDC-JXMROGBWSA-N
DG62474	"3-[N-(2-cyanoethyl)-4-[(Z)-(5-oxo-1,2-diphenyl-imidazol-4-ylidene)methyl]anilino]propanenitrile"	5469989	"NSC695301; CHEMBL1978560; NSC-695301; 3-[N-(2-cyanoethyl)-4-[(Z)-(5-oxo-1,2-diphenyl-imidazol-4-ylidene)methyl]anilino]propanenitrile; Propanenitrile, 3,3'-[[4-[(Z)-(1,5-dihydro-5-oxo-1,2-diphenyl-4H-imidazol-4-ylidene)methyl]phenyl]imino]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695301	.	.	.	.	445.5	C28H23N5O	83.5	834	4.2	34	0	5	8	"InChI=1S/C28H23N5O/c29-17-7-19-32(20-8-18-30)24-15-13-22(14-16-24)21-26-28(34)33(25-11-5-2-6-12-25)27(31-26)23-9-3-1-4-10-23/h1-6,9-16,21H,7-8,19-20H2/b26-21-"	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=C(C=C3)N(CCC#N)CCC#N)/C(=O)N2C4=CC=CC=C4	NMSNVNLTVZSUAG-QLYXXIJNSA-N
DG62475	3-[4-[(Z)-[1-(4-chlorophenyl)-5-oxo-2-phenyl-imidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile	5469990	"NSC695302; CHEMBL1995485; NSC-695302; 3-[4-[(Z)-[1-(4-chlorophenyl)-5-oxo-2-phenyl-imidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile; Propanenitrile, 3,3'-[[4-[(Z)-[1-(4-chlorophenyl)-1,5-dihydro-5-oxo-2-phenyl-4H-imidazol-4-ylidene]methyl]phenyl]imino]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695302	.	.	.	.	480	C28H22ClN5O	83.5	869	4.9	35	0	5	8	"InChI=1S/C28H22ClN5O/c29-23-10-14-25(15-11-23)34-27(22-6-2-1-3-7-22)32-26(28(34)35)20-21-8-12-24(13-9-21)33(18-4-16-30)19-5-17-31/h1-3,6-15,20H,4-5,18-19H2/b26-20-"	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=C(C=C3)N(CCC#N)CCC#N)/C(=O)N2C4=CC=C(C=C4)Cl	ITSQNWRVOSZRMQ-QOMWVZHYSA-N
DG62476	3-[N-(2-cyanoethyl)-4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenyl-imidazol-4-ylidene]methyl]anilino]propanenitrile	5469992	"NSC695304; CHEMBL2001209; NSC-695304; 3-[N-(2-cyanoethyl)-4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenyl-imidazol-4-ylidene]methyl]anilino]propanenitrile; Propanenitrile, 3,3'-[[4-[(Z)-[1,5-dihydro-1-(4-methoxyphenyl)-5-oxo-2-phenyl-4H-imidazol-4-ylidene]methyl]phenyl]imino]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695304	.	.	.	.	475.5	C29H25N5O2	92.7	882	4.2	36	0	6	9	"InChI=1S/C29H25N5O2/c1-36-26-15-13-25(14-16-26)34-28(23-7-3-2-4-8-23)32-27(29(34)35)21-22-9-11-24(12-10-22)33(19-5-17-30)20-6-18-31/h2-4,7-16,21H,5-6,19-20H2,1H3/b27-21-"	COC1=CC=C(C=C1)N2C(=N/C(=C\\C3=CC=C(C=C3)N(CCC#N)CCC#N)/C2=O)C4=CC=CC=C4	QNQGZUPGDGSAOD-MEFGMAGPSA-N
DG62477	4-[(4Z)-4-[[4-[bis(2-cyanoethyl)amino]phenyl]methylene]-5-oxo-2-phenyl-imidazol-1-yl]benzoic acid	5469994	"NSC695306; CHEMBL1970298; NSC-695306; 4-(4-(4-(Bis(2-cyanoethyl)amino)benzylidene)-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl)benzoic acid; 4-[(4Z)-4-[[4-[bis(2-cyanoethyl)amino]phenyl]methylene]-5-oxo-2-phenyl-imidazol-1-yl]benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695306	.	.	.	.	489.5	C29H23N5O3	121	960	3.8	37	1	7	9	"InChI=1S/C29H23N5O3/c30-16-4-18-33(19-5-17-31)24-12-8-21(9-13-24)20-26-28(35)34(25-14-10-23(11-15-25)29(36)37)27(32-26)22-6-2-1-3-7-22/h1-3,6-15,20H,4-5,18-19H2,(H,36,37)/b26-20-"	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=C(C=C3)N(CCC#N)CCC#N)/C(=O)N2C4=CC=C(C=C4)C(=O)O	JXZMFFWUFBCJMH-QOMWVZHYSA-N
DG62478	"(alphaE)-2-Oxo-3-[2-(2-pyridinyl)ethyl]-2,3-dihydrooxazolo[4,5-b]pyridine-6-acrylic acid methyl ester"	5470017	"NSC696464; CHEMBL1983085; NSC-696464; methyl (E)-3-[2-oxo-3-[2-(2-pyridyl)ethyl]oxazolo[4,5-b]pyridin-6-yl]prop-2-enoate; (alphaE)-2-Oxo-3-[2-(2-pyridinyl)ethyl]-2,3-dihydrooxazolo[4,5-b]pyridine-6-acrylic acid methyl ester; Methyl 3-(2-oxo-3-(2-(2-pyridinyl)ethyl)-2,3-dihydro[1,3]oxazolo[4,5-b]pyridin-6-yl)acrylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696464	.	.	.	.	325.32	C17H15N3O4	81.6	496	1.8	24	0	6	6	"InChI=1S/C17H15N3O4/c1-23-15(21)6-5-12-10-14-16(19-11-12)20(17(22)24-14)9-7-13-4-2-3-8-18-13/h2-6,8,10-11H,7,9H2,1H3/b6-5+"	COC(=O)/C=C/C1=CC2=C(N=C1)N(C(=O)O2)CCC3=CC=CC=N3	XRJADBLFAXZPML-AATRIKPKSA-N
DG62479	"methyl (E)-3-(7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,2'-1,3-dihydroindene]-5'-yl)prop-2-enoate"	5470022	"NSC696656; CHEMBL1973690; NSC-696656; methyl (E)-3-(7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,2'-indane]-5'-yl)prop-2-enoate; 2-Propenoic acid, 3-(1',3,3',5,6,7-hexahydro-1-oxospiro[s-indacene-2(1H),2'-[2H]inden]-5'-yl)-, methyl ester, (2E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696656	.	.	.	.	358.4	C24H22O3	43.4	652	4.6	27	0	3	3	"InChI=1S/C24H22O3/c1-27-22(25)8-6-15-5-7-18-12-24(13-19(18)9-15)14-20-10-16-3-2-4-17(16)11-21(20)23(24)26/h5-11H,2-4,12-14H2,1H3/b8-6+"	COC(=O)/C=C/C1=CC2=C(CC3(C2)CC4=C(C3=O)C=C5CCCC5=C4)C=C1	WHOVBTFIWPTXGD-SOFGYWHQSA-N
DG62480	"3-(2-chloroethyl)-2-[(E)-2-(4-octadecoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium;chloride"	5470036	NSC696884; CHEMBL1975772; NSC-696884	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696884	.	.	.	.	540.6	C31H51Cl2NO2	21.5	554	.	36	0	3	22	"InChI=1S/C31H51ClNO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-34-30-21-18-29(19-22-30)20-23-31-33(25-24-32)26-28-35-31;/h18-23H,2-17,24-28H2,1H3;1H/q+1;/p-1/b23-20+;"	CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)/C=C/C2=[N+](CCO2)CCCl.[Cl-]	JBYNNTPUUZGGFJ-NMSJBYGBSA-M
DG62481	"N,N'-bis[(5E)-5-[(3,4-dihydroxyphenyl)methylene]-2-(2-hydroxy-1-naphthyl)-4-oxo-thiazolidin-3-yl]decanediamide"	5470052	"NSC697192; NSC-697192; Decanediamide, N,N'-bis[2-(2-hydroxy-1-naphthalenyl)- 5-(3,4-dihydroxyphenyl)methylene]-4-oxo-3-thiazolidinyl]-; Decanediamide,N'-bis[2-(2-hydroxy-1-naphthalenyl)- 5-(3,4-dihydroxyphenyl)methylene]-4-oxo- 3-thiazolidinyl]-; N,N'-bis[(5E)-5-[(3,4-dihydroxyphenyl)methylene]-2-(2-hydroxy-1-naphthyl)-4-oxo-thiazolidin-3-yl]decanediamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697192	.	.	.	.	927.1	C50H46N4O10S2	271	1650	9.8	66	8	12	13	"InChI=1S/C50H46N4O10S2/c55-35-21-17-29(25-39(35)59)27-41-47(63)53(49(65-41)45-33-13-9-7-11-31(33)19-23-37(45)57)51-43(61)15-5-3-1-2-4-6-16-44(62)52-54-48(64)42(28-30-18-22-36(56)40(60)26-30)66-50(54)46-34-14-10-8-12-32(34)20-24-38(46)58/h7-14,17-28,49-50,55-60H,1-6,15-16H2,(H,51,61)(H,52,62)/b41-27+,42-28+"	C1=CC=C2C(=C(C=CC2=C1)O)C3S/C(=C/C4=CC(=C(C=C4)O)O)/C(=O)N3NC(=O)CCCCCCCCC(=O)NN5C(=O)/C(=C\\C6=CC(=C(C=C6)O)O)/SC5C7=C(C=CC8=CC=CC=C78)O	GZXGZBUETAFRIH-CTQPMARESA-N
DG62482	"Decanediamide,N'-bis[2-(2-hydroxy-1-naphthalenyl)-5-(3,4-dimethoxyphenyl)methylene]-4-oxo-3-thiazolidinyl]-"	5470054	"NSC697194; CHEMBL2005086; NSC-697194; Decanediamide,N'-bis[2-(2-hydroxy-1-naphthalenyl)- 5-(3,4-dimethoxyphenyl)methylene]-4-oxo- 3-thiazolidinyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697194	.	.	.	.	983.2	C54H54N4O10S2	227	1710	11.1	70	4	12	17	"InChI=1S/C54H54N4O10S2/c1-65-41-27-21-33(29-43(41)67-3)31-45-51(63)57(53(69-45)49-37-17-13-11-15-35(37)23-25-39(49)59)55-47(61)19-9-7-5-6-8-10-20-48(62)56-58-52(64)46(32-34-22-28-42(66-2)44(30-34)68-4)70-54(58)50-38-18-14-12-16-36(38)24-26-40(50)60/h11-18,21-32,53-54,59-60H,5-10,19-20H2,1-4H3,(H,55,61)(H,56,62)/b45-31+,46-32+"	COC1=C(C=C(C=C1)/C=C\\2/SC(N(C2=O)NC(=O)CCCCCCCCC(=O)NN3C(=O)/C(=C\\C4=CC(=C(C=C4)OC)OC)/SC3C5=C(C=CC6=CC=CC=C56)O)C7=C(C=CC8=CC=CC=C78)O)OC	FMSYHHMHOOPZRR-RQAFMBFTSA-N
DG62483	NSC697265	5470068	"(3aS,5S,6R,9E,13E,15aS)-3-Methylene-5-iodo-6-hydroxy-6,10,14-trimethyl-2,3,3a,4,5,6,7,8,11,12,15,15a-dodecahydrocyclotetradeca[b]furan-2-one; NSC697265; CHEMBL1999958; NSC-697265; (3aS,5S,6R,9E,13E,15aS)-3-Methylene-5-iodo-6-hydroxy-6,10,14-trimethyl-2,3,3a,4,5,6,7,8,11,12,15,15a-dodecahydrocyclotetradeca[b]furan-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697265	.	.	.	.	444.3	C20H29IO3	46.5	563	4.3	24	1	3	0	"InChI=1S/C20H29IO3/c1-13-7-5-8-14(2)11-17-16(15(3)19(22)24-17)12-18(21)20(4,23)10-6-9-13/h8-9,16-18,23H,3,5-7,10-12H2,1-2,4H3/b13-9+,14-8+/t16-,17-,18-,20+/m0/s1"	C/C/1=C\\CC[C@@]([C@H](C[C@@H]2[C@H](C/C(=C/CC1)/C)OC(=O)C2=C)I)(C)O	RCJSCMFZUGPPHB-ULYAPGBTSA-N
DG62484	CID 5470076	5470076	MLS002702440; SMR001566002; NSC697444; CHEMBL1735318; NSC-697444	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697444	.	.	.	.	434.4	C23H25Cl2NO3	46.6	572	.	29	1	4	6	"InChI=1S/C23H24ClNO3.ClH/c1-25(2)15-19-5-3-4-18(22(19)26)14-16-6-12-21(13-7-16)28-23(27)17-8-10-20(24)11-9-17;/h6-14,19H,3-5,15H2,1-2H3;1H/b18-14+;"	CN(C)CC1CCC/C(=C\\C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)/C1=O.Cl	HJCIZFCRZJNNMW-LSJACRKWSA-N
DG62485	"N-[2-[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-1-benzofuran-2-carboxamide"	5470090	NSC697536; SCHEMBL8107297; CHEMBL2002069; NSC-697536; NCI60_034798	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697536	.	.	.	.	565	C31H21ClN4O5	124	1030	6.5	41	2	5	4	"InChI=1S/C31H21ClN4O5/c32-15-19-16-35(26-14-25(36(39)40)21-6-2-3-7-22(21)29(19)26)31(38)24-12-18-11-20(9-10-23(18)34-24)33-30(37)28-13-17-5-1-4-8-27(17)41-28/h1-14,19,34H,15-16H2,(H,33,37)"	C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=CC=CC=C6O5)C=C(C7=CC=CC=C72)[N+](=O)[O-])CCl	DVVBTBQPDKMSFZ-UHFFFAOYSA-N
DG62486	17-Demethoxy-17-allylamino geldanamycin-11-[4-(dimethylamino)butyrate]	5470131	NSC697886; CHEMBL1990409; NSC-697886; 17-Demethoxy-17-allylamino geldanamycin-11-[4-(dimethylamino)butyrate]	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697886	.	.	.	.	698.8	C37H54N4O9	176	1430	3.5	50	3	11	13	"InChI=1S/C37H54N4O9/c1-10-16-39-32-26-18-22(2)19-30(48-9)35(49-31(43)15-12-17-41(6)7)25(5)20-24(4)34(50-37(38)46)29(47-8)14-11-13-23(3)36(45)40-27(33(26)44)21-28(32)42/h10-11,13-14,20-22,25,29-30,34-35,39H,1,12,15-19H2,2-9H3,(H2,38,46)(H,40,45)/b14-11-,23-13+,24-20+/t22-,25-,29-,30-,34-,35 /m1/s1"	C[C@H]1C[C@H](C([C@@H](/C=C(/[C@H]([C@@H](/C=C\\C=C(\\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\\C)C)OC(=O)CCCN(C)C)OC	AECIQLGENYZZDN-ARIHMTBOSA-N
DG62487	"methyl (3Z,5E)-2-cyclohexyl-1-oxo-6-phenyl-2-benzazocine-5-carboxylate"	5470138	"NSC697939; CHEMBL1997221; methyl (3Z,5E)-2-cyclohexyl-1-oxo-6-phenyl-2-benzazocine-5-carboxylate; NSC-697939; Methyl 2-cyclohexyl-1-oxo-6-phenyl-1,2-dihydro-2-benzazocine-5-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697939	.	.	.	.	387.5	C25H25NO3	46.6	668	4.9	29	0	3	4	"InChI=1S/C25H25NO3/c1-29-25(28)22-16-17-26(19-12-6-3-7-13-19)24(27)21-15-9-8-14-20(21)23(22)18-10-4-2-5-11-18/h2,4-5,8-11,14-17,19H,3,6-7,12-13H2,1H3/b17-16-,23-22+"	COC(=O)/C/1=C(/C2=CC=CC=C2C(=O)N(/C=C1)C3CCCCC3)\\C4=CC=CC=C4	SJNBQJMZMKATKF-JEKUJBQYSA-N
DG62488	"5-Amino-1-(chloromethyl)-3-[(e)-3-methoxycinnamoyl]-1,2-dihydro-3h-benz[e]indole"	5470144	"NSC698104; CHEMBL333848; SCHEMBL5623921; SCHEMBL5623925; NSC-698104; 5-amino-1-(chloromethyl)-3-[(e)-3-methoxycinnamoyl]-1,2-dihydro-3h-benz[e]indole; (E)-1-[[1-(Chloromethyl)-5-amino-1,2-dihydro-3H-benzo[e]indole]-3-yl]-3-(3-methoxyphenyl)-2-propene-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698104	.	.	.	.	392.9	C23H21ClN2O2	55.6	583	4.3	28	1	3	4	"InChI=1S/C23H21ClN2O2/c1-28-17-6-4-5-15(11-17)9-10-22(27)26-14-16(13-24)23-19-8-3-2-7-18(19)20(25)12-21(23)26/h2-12,16H,13-14,25H2,1H3/b10-9+"	COC1=CC=CC(=C1)/C=C/C(=O)N2CC(C3=C2C=C(C4=CC=CC=C43)N)CCl	VRBJCJNVLXEKKP-MDZDMXLPSA-N
DG62489	"1,2,5,6-Tetrathiocine"	5470145	"NSC698126; 1,2,5,6-Tetrathiocine; 1,2,5,6-Tetrathiocin; (3Z,7Z)-1,2,5,6-tetrathiocine; CHEMBL1983626; NSC-698126"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698126	.	.	.	.	180.3	C4H4S4	101	80.6	1.4	8	0	4	0	"InChI=1S/C4H4S4/c1-2-6-8-4-3-7-5-1/h1-4H/b2-1-,4-3-"	C\\1=C\\SS/C=C\\SS1	PGXAKLXGJRBXPM-LOKDLIDFSA-N
DG62490	NSC698206	5470160	"1,3-dimethyl-5-[2-[(4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopentene-1-carbonyl]phenyl]-1,3,5-triazinan-2-one; NSC698206; CHEMBL1976206; NSC-698206"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698206	.	.	.	.	597.9	C34H55N3O4Si	62.3	964	.	42	0	5	13	"InChI=1S/C34H55N3O4Si/c1-24(2)42(25(3)4,26(5)6)41-21-29(18-19-40-34(7,8)9)27-16-17-28(20-27)32(38)30-14-12-13-15-31(30)37-22-35(10)33(39)36(11)23-37/h12-15,17-18,24-27H,16,19-23H2,1-11H3/b29-18-/t27-/m0/s1"	CC(C)[Si](C(C)C)(C(C)C)OC/C(=C/COC(C)(C)C)/[C@H]1CC=C(C1)C(=O)C2=CC=CC=C2N3CN(C(=O)N(C3)C)C	LXIJTOMKRJHRCM-QSRSGOJESA-N
DG62491	"tetramethyl (1R,5R,6S,7R,9S)-5-hydroxy-7-methyl-3-[(E)-3-phenylprop-2-enoyl]oxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	5470169	NSC698259; CHEMBL1986680; NSC-698259	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698259	.	.	.	.	530.5	C27H30O11	152	1020	2.4	38	1	11	12	"InChI=1S/C27H30O11/c1-14-13-16-18(23(29)34-2)22(38-17(28)12-11-15-9-7-6-8-10-15)21(26(32)37-5)27(33,19(14)24(30)35-3)20(16)25(31)36-4/h6-12,14,16,19-21,33H,13H2,1-5H3/b12-11+/t14-,16+,19-,20-,21 ,27-/m1/s1"	C[C@@H]1C[C@@H]2[C@@H]([C@]([C@H]1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)/C=C/C3=CC=CC=C3)C(=O)OC)O)C(=O)OC	NVNCEMBSIAGOMR-IMJCIAPQSA-N
DG62492	NSC698260	5470170	"tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-diphenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate; NSC698260; CHEMBL1989997; NSC-698260"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698260	.	.	.	.	606.6	C33H34O11	152	1190	4.1	44	1	11	13	"InChI=1S/C33H34O11/c1-18-16-22-23(29(35)40-2)27(26(32(38)43-5)33(39,24(18)30(36)41-3)25(22)31(37)42-4)44-28(34)21(20-14-10-7-11-15-20)17-19-12-8-6-9-13-19/h6-15,17-18,22,24-26,39H,16H2,1-5H3/b21-17+/t18-,22+,24-,25-,26 ,33-/m1/s1"	C[C@@H]1C[C@@H]2[C@@H]([C@]([C@H]1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)/C(=C/C3=CC=CC=C3)/C4=CC=CC=C4)C(=O)OC)O)C(=O)OC	MIRJVXJQLKULGY-MOMZVVPPSA-N
DG62493	NSC698261	5470171	"tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate; NSC698261; CHEMBL1993754; NSC-698261"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698261	.	.	.	.	641.1	C33H33ClO11	152	1230	4.7	45	1	11	13	"InChI=1S/C33H33ClO11/c1-17-15-22-23(29(36)41-2)27(26(32(39)44-5)33(40,24(17)30(37)42-3)25(22)31(38)43-4)45-28(35)21(19-9-7-6-8-10-19)16-18-11-13-20(34)14-12-18/h6-14,16-17,22,24-26,40H,15H2,1-5H3/b21-16+/t17-,22+,24-,25-,26 ,33-/m1/s1"	C[C@@H]1C[C@@H]2[C@@H]([C@]([C@H]1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)/C(=C/C3=CC=C(C=C3)Cl)/C4=CC=CC=C4)C(=O)OC)O)C(=O)OC	VDPXKDZEFBPOEN-IQNIIWPSSA-N
DG62494	NSC698262	5470172	"tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2-(4-chlorophenyl)-3-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate; NSC698262; CHEMBL1967570; NSC-698262"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698262	.	.	.	.	641.1	C33H33ClO11	152	1230	4.7	45	1	11	13	"InChI=1S/C33H33ClO11/c1-17-15-22-23(29(36)41-2)27(26(32(39)44-5)33(40,24(17)30(37)42-3)25(22)31(38)43-4)45-28(35)21(16-18-9-7-6-8-10-18)19-11-13-20(34)14-12-19/h6-14,16-17,22,24-26,40H,15H2,1-5H3/b21-16+/t17-,22+,24-,25-,26 ,33-/m1/s1"	C[C@@H]1C[C@@H]2[C@@H]([C@]([C@H]1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)/C(=C/C3=CC=CC=C3)/C4=CC=C(C=C4)Cl)C(=O)OC)O)C(=O)OC	DHHHELOPOSYEOF-IQNIIWPSSA-N
DG62495	NSC698263	5470173	"tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate; NSC698263; CHEMBL1976947; NSC-698263"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698263	.	.	.	.	675.5	C33H32Cl2O11	152	1260	5.3	46	1	11	13	"InChI=1S/C33H32Cl2O11/c1-16-14-22-23(29(37)42-2)27(26(32(40)45-5)33(41,24(16)30(38)43-3)25(22)31(39)44-4)46-28(36)21(18-8-12-20(35)13-9-18)15-17-6-10-19(34)11-7-17/h6-13,15-16,22,24-26,41H,14H2,1-5H3/b21-15+/t16-,22+,24-,25-,26 ,33-/m1/s1"	C[C@@H]1C[C@@H]2[C@@H]([C@]([C@H]1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)/C(=C/C3=CC=C(C=C3)Cl)/C4=CC=C(C=C4)Cl)C(=O)OC)O)C(=O)OC	MKSAROVFICBUKJ-DYOLJDKESA-N
DG62496	NSC698266	5470176	"tetramethyl (1R,5R,6S,7R,9S)-5-hydroxy-7-methyl-3-[(E)-2-(4-nitrophenyl)-3-phenylprop-2-enoyl]oxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate; NSC698266; CHEMBL1987668; NSC-698266"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698266	.	.	.	.	651.6	C33H33NO13	198	1320	3.9	47	1	13	13	"InChI=1S/C33H33NO13/c1-17-15-22-23(29(36)43-2)27(26(32(39)46-5)33(40,24(17)30(37)44-3)25(22)31(38)45-4)47-28(35)21(16-18-9-7-6-8-10-18)19-11-13-20(14-12-19)34(41)42/h6-14,16-17,22,24-26,40H,15H2,1-5H3/b21-16+/t17-,22+,24-,25-,26 ,33-/m1/s1"	C[C@@H]1C[C@@H]2[C@@H]([C@]([C@H]1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)/C(=C/C3=CC=CC=C3)/C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC)O)C(=O)OC	WPWUOUCLQAWSMJ-IQNIIWPSSA-N
DG62497	"N-[(1E)-1-benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]quinolin-8-amine"	5470189	NSC698363; CHEMBL1988744; NSC-698363	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698363	.	.	.	.	466.8	C20H14Cl3N3O2S	96	643	7.2	29	1	5	6	"InChI=1S/C20H14Cl3N3O2S/c21-16(19(22)23)18(26(27)28)20(29-12-13-6-2-1-3-7-13)25-15-10-4-8-14-9-5-11-24-17(14)15/h1-11,25H,12H2/b20-18+"	C1=CC=C(C=C1)CS/C(=C(\\C(=C(Cl)Cl)Cl)/[N+](=O)[O-])/NC2=CC=CC3=C2N=CC=C3	YUVCABHDOCOMAT-CZIZESTLSA-N
DG62498	"N-[(1E)-1-(1H-1,2,3-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-3-methylaniline"	5470195	"NSC698374; CHEMBL1993138; ZINC1883457; NSC-698374; N-[(1E)-1-(1H-1,2,3-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-3-methylaniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698374	.	.	.	.	424.7	C17H12Cl3N5O2	88.6	633	6.2	27	1	5	4	"InChI=1S/C17H12Cl3N5O2/c1-10-5-4-6-11(9-10)21-17(15(25(26)27)14(18)16(19)20)24-13-8-3-2-7-12(13)22-23-24/h2-9,21H,1H3/b17-15+"	CC1=CC(=CC=C1)N/C(=C(/C(=C(Cl)Cl)Cl)\\[N+](=O)[O-])/N2C3=CC=CC=C3N=N2	KUCLKSBXUXTJAS-BMRADRMJSA-N
DG62499	"(1E,3Z)-1-(benzotriazol-1-yl)-3,4-dichloro-N,N'-bis(4-ethoxyphenyl)-2-nitrobuta-1,3-diene-1,4-diamine"	5470200	"NSC698379; CHEMBL1971962; NSC-698379; 1,4-diamine, 1-(1H-benzotriazol-1-yl)-3,4-dichloro- N,N'-bis[4-ethoxyphenyl]-2-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698379	.	.	.	.	555.4	C26H24Cl2N6O4	119	853	7.4	38	2	8	10	"InChI=1S/C26H24Cl2N6O4/c1-3-37-19-13-9-17(10-14-19)29-25(28)23(27)24(34(35)36)26(30-18-11-15-20(16-12-18)38-4-2)33-22-8-6-5-7-21(22)31-32-33/h5-16,29-30H,3-4H2,1-2H3/b25-23+,26-24+"	CCOC1=CC=C(C=C1)N/C(=C(/C(=C(\\NC2=CC=C(C=C2)OCC)/Cl)/Cl)\\[N+](=O)[O-])/N3C4=CC=CC=C4N=N3	CEVMZZGRCDNQBT-OGGGYYITSA-N
DG62500	"2-[[(1Z,3E)-4-(benzotriazol-1-yl)-1,2-dichloro-4-(4-ethoxyanilino)-3-nitrobuta-1,3-dienyl]amino]ethanol"	5470201	NSC698380; CHEMBL1997791; NSC-698380	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698380	.	.	.	.	479.3	C20H20Cl2N6O4	130	709	4.8	32	3	8	9	"InChI=1S/C20H20Cl2N6O4/c1-2-32-14-9-7-13(8-10-14)24-20(27-16-6-4-3-5-15(16)25-26-27)18(28(30)31)17(21)19(22)23-11-12-29/h3-10,23-24,29H,2,11-12H2,1H3/b19-17+,20-18+"	CCOC1=CC=C(C=C1)N/C(=C(/C(=C(\\NCCO)/Cl)/Cl)\\[N+](=O)[O-])/N2C3=CC=CC=C3N=N2	BLEKUQRNIUGZQT-XPWSMXQVSA-N
DG62501	"N-[(1E,3Z)-1-(benzotriazol-1-yl)-3,4-dichloro-2-nitro-4-piperidin-1-ylbuta-1,3-dienyl]-4-ethoxyaniline"	5470203	NSC698382; CHEMBL2003683; NSC-698382	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698382	.	.	.	.	503.4	C23H24Cl2N6O3	101	775	6.5	34	1	7	7	"InChI=1S/C23H24Cl2N6O3/c1-2-34-17-12-10-16(11-13-17)26-23(30-19-9-5-4-8-18(19)27-28-30)21(31(32)33)20(24)22(25)29-14-6-3-7-15-29/h4-5,8-13,26H,2-3,6-7,14-15H2,1H3/b22-20+,23-21+"	CCOC1=CC=C(C=C1)N/C(=C(/C(=C(\\N2CCCCC2)/Cl)/Cl)\\[N+](=O)[O-])/N3C4=CC=CC=C4N=N3	SQFCVJBUWDTNMH-DQPVQCHKSA-N
DG62502	"1-[(1E)-3,4,4-trichloro-2-nitro-1-(1,2,4-triazol-1-yl)buta-1,3-dienyl]piperidine"	5470206	NSC698388; CHEMBL1976415; NSC-698388	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698388	.	.	.	.	352.6	C11H12Cl3N5O2	79.8	467	3.6	21	0	5	3	"InChI=1S/C11H12Cl3N5O2/c12-8(10(13)14)9(19(20)21)11(18-7-15-6-16-18)17-4-2-1-3-5-17/h6-7H,1-5H2/b11-9+"	C1CCN(CC1)/C(=C(/C(=C(Cl)Cl)Cl)\\[N+](=O)[O-])/N2C=NC=N2	ZPOMVBJHHLCVBP-PKNBQFBNSA-N
DG62503	"(1E,3Z)-1-(benzotriazol-1-yl)-3,4-dichloro-N-(4-ethoxyphenyl)-N',N'-diethyl-2-nitrobuta-1,3-diene-1,4-diamine"	5470208	NSC698391; CHEMBL2003816; NSC-698391	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698391	.	.	.	.	491.4	C22H24Cl2N6O3	101	732	6.4	33	1	7	9	"InChI=1S/C22H24Cl2N6O3/c1-4-28(5-2)21(24)19(23)20(30(31)32)22(25-15-11-13-16(14-12-15)33-6-3)29-18-10-8-7-9-17(18)26-27-29/h7-14,25H,4-6H2,1-3H3/b21-19+,22-20+"	CCN(CC)/C(=C(\\C(=C(\\NC1=CC=C(C=C1)OCC)/N2C3=CC=CC=C3N=N2)\\[N+](=O)[O-])/Cl)/Cl	QNHIQUNACJPXIS-FLFKKZLDSA-N
DG62504	"1,1-diamine, 3,4-dichloro-2,4-dinitro-N,N'-diphenyl-, (3E)-"	5470211	"NSC698398; CHEMBL1993767; NSC-698398; 1,1-diamine, 3,4-dichloro-2,4-dinitro-N,N'-diphenyl-, (3E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698398	.	.	.	.	395.2	C16H12Cl2N4O4	116	564	6.3	26	2	6	5	"InChI=1S/C16H12Cl2N4O4/c17-13(15(18)22(25)26)14(21(23)24)16(19-11-7-3-1-4-8-11)20-12-9-5-2-6-10-12/h1-10,19-20H/b15-13-"	C1=CC=C(C=C1)NC(=C(/C(=C(/[N+](=O)[O-])\\Cl)/Cl)[N+](=O)[O-])NC2=CC=CC=C2	PAQPKOLICMDGJW-SQFISAMPSA-N
DG62505	Indanocine	5470230	"indanocine; CHEMBL144647; SCHEMBL5310569; HSCI1_000060; NSC698666; NSC-698666; SMP2_000260; BRD-K18935966-001-02-0; 2-[(E)-3,5-Dimethyl-4-hydroxybenzylidene]-5,6-dimethoxy-7-aminoindan-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698666	.	.	.	.	339.4	C20H21NO4	81.8	522	4	25	2	5	3	"InChI=1S/C20H21NO4/c1-10-5-12(6-11(2)18(10)22)7-14-8-13-9-15(24-3)20(25-4)17(21)16(13)19(14)23/h5-7,9,22H,8,21H2,1-4H3/b14-7+"	CC1=CC(=CC(=C1O)C)/C=C/2\\CC3=CC(=C(C(=C3C2=O)N)OC)OC	KJTPWUVVLPCPJD-VGOFMYFVSA-N
DG62506	"(6E,12R)-1,3-Dimethoxy-12-methyl-5,8,9,10,11,12-hexahydro-14H-13-oxabenzocyclododecen-14-one"	5470232	"NSC698945; SCHEMBL8465378; CHEMBL1974138; NSC-698945; (6E,12R)-1,3-Dimethoxy-12-methyl-5,8,9,10,11,12-hexahydro-14H-13-oxabenzocyclododecen-14-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698945	.	.	.	.	304.4	C18H24O4	44.8	379	4.5	22	0	4	2	"InChI=1S/C18H24O4/c1-13-9-7-5-4-6-8-10-14-11-15(20-2)12-16(21-3)17(14)18(19)22-13/h6,8,11-13H,4-5,7,9-10H2,1-3H3/b8-6+/t13-/m1/s1"	C[C@@H]1CCCC/C=C/CC2=C(C(=CC(=C2)OC)OC)C(=O)O1	NKDRVIFCOLYUPV-STMXVASLSA-N
DG62507	"3-[(E)-3-(3,4-diacetoxyphenyl)prop-2-enoyl]oxypropyl (E)-3-(3,4-diacetoxyphenyl)prop-2-enoate"	5470290	"NSC699165; CHEMBL31175; BDBM50076266; NSC-699165; O,O-Bis(3,4-diacetoxycinnamoyl)-1,3-propanediol; (E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 3-[(E)-3-(3,4-diacetoxy-phenyl)-acryloyloxy]-propyl ester; 3-[(E)-3-(3,4-diacetoxyphenyl)prop-2-enoyl]oxypropyl (E)-3-(3,4-diacetoxyphenyl)prop-2-enoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699165	.	.	.	.	568.5	C29H28O12	158	922	3.5	41	0	12	18	"InChI=1S/C29H28O12/c1-18(30)38-24-10-6-22(16-26(24)40-20(3)32)8-12-28(34)36-14-5-15-37-29(35)13-9-23-7-11-25(39-19(2)31)27(17-23)41-21(4)33/h6-13,16-17H,5,14-15H2,1-4H3/b12-8+,13-9+"	CC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)OCCCOC(=O)/C=C/C2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C	WUMADTZQXQCLTE-QHKWOANTSA-N
DG62508	"3,4-Diacetoxycinnamic acid 2-[(3,4-diacetoxycinnamoyl)amino]ethyl ester"	5470292	"NSC699167; CHEMBL416582; BDBM50076277; NSC-699167; N,O-Bis(3,4-diacetoxycinnamoyl)-2-hydroxyethylamine; 3,4-Diacetoxycinnamic acid 2-[(3,4-diacetoxycinnamoyl)amino]ethyl ester; (E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 2-[(E)-3-(3,4-diacetoxy-phenyl)-acryloylamino]-ethyl ester; 2-[[(E)-3-(3,4-diacetoxyphenyl)prop-2-enoyl]amino]ethyl (E)-3-(3,4-diacetoxyphenyl)prop-2-enoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699167	.	.	.	.	553.5	C28H27NO11	161	989	2.6	40	1	11	16	"InChI=1S/C28H27NO11/c1-17(30)37-23-9-5-21(15-25(23)39-19(3)32)7-11-27(34)29-13-14-36-28(35)12-8-22-6-10-24(38-18(2)31)26(16-22)40-20(4)33/h5-12,15-16H,13-14H2,1-4H3,(H,29,34)/b11-7+,12-8+"	CC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)NCCOC(=O)/C=C/C2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C	AAOUHTYFBALOPI-MKICQXMISA-N
DG62509	"3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate"	5470295	"NSC699170; CHEMBL31026; BDBM50073636; NSC-699170; 3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; Bis[3-(3,4-dihydroxyphenyl)propenoic acid]trimethylene ester; 3-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]propyl-3-(3,4-dihydroxyphenyl)prop-2-enoate; (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-[(E)-3-(3,4-dihydroxy-phenyl)-acryloyloxy]-propyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699170	.	.	.	.	400.4	C21H20O8	134	537	3.9	29	4	8	10	"InChI=1S/C21H20O8/c22-16-6-2-14(12-18(16)24)4-8-20(26)28-10-1-11-29-21(27)9-5-15-3-7-17(23)19(25)13-15/h2-9,12-13,22-25H,1,10-11H2/b8-4+,9-5+"	C1=CC(=C(C=C1/C=C/C(=O)OCCCOC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O	QUBPJJHCAOTXEB-KBXRYBNXSA-N
DG62510	(8abeta)-6-[(R)-2-Methylhexylidene]-8-methyl-8alpha-(benzyloxy)octahydroindolizine-7beta-ol	5470307	"NSC699382; CHEMBL2004151; NSC-699382; (6E,7R,8abeta)-8alpha-Benzyloxy-8-methyl-6-[(R)-2-methylhexylidene]octahydroindolizin-7beta-ol; (8abeta)-6-[(R)-2-Methylhexylidene]-8-methyl-8alpha-(benzyloxy)octahydroindolizine-7beta-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699382	.	.	.	.	357.5	C23H35NO2	32.7	471	4.2	26	1	3	7	"InChI=1S/C23H35NO2/c1-4-5-10-18(2)15-20-16-24-14-9-13-21(24)23(3,22(20)25)26-17-19-11-7-6-8-12-19/h6-8,11-12,15,18,21-22,25H,4-5,9-10,13-14,16-17H2,1-3H3/b20-15+/t18-,21+,22-,23-/m1/s1"	CCCC[C@@H](C)/C=C/1\\CN2CCC[C@H]2[C@@]([C@@H]1O)(C)OCC3=CC=CC=C3	OQYDSVGYSHAEGF-HZGJPHOCSA-N
DG62511	"1-(3-Allyl-2-hydroxyphenyl)-5-(2-chlorophenyl)-3-hydroxy-2,4-pentadien-1-one"	5470312	"NSC699425; CHEMBL1979051; NSC-699425; (2Z,4E)-1-(3-allyl-2-hydroxy-phenyl)-5-(2-chlorophenyl)-3-hydroxy-penta-2,4-dien-1-one; 1-(3-Allyl-2-hydroxyphenyl)-5-(2-chlorophenyl)-3-hydroxy-2,4-pentadien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699425	.	.	.	.	340.8	C20H17ClO3	57.5	497	5.4	24	2	3	6	"InChI=1S/C20H17ClO3/c1-2-6-15-8-5-9-17(20(15)24)19(23)13-16(22)12-11-14-7-3-4-10-18(14)21/h2-5,7-13,23-24H,1,6H2/b12-11+,19-13-"	C=CCC1=C(C(=CC=C1)/C(=C/C(=O)/C=C/C2=CC=CC=C2Cl)/O)O	BYYYMZJSEJZBNV-VFXSNCDZSA-N
DG62512	"1-N-Methyl-2-phenyl-4-(3',5'-trimethoxybenzylidine)-pyrazolo[1,5-a]indolinium trifluoromethane sulfonate"	5470313	"NSC699474; CHEMBL2007061; NSC-699474; 1-N-Methyl-2-phenyl-4-(3',5'-trimethoxybenzylidine)-pyrazolo[1,5-a]indolinium trifluoromethane sulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699474	.	.	.	.	574.6	C28H25F3N2O6S	102	794	.	40	0	9	5	"InChI=1S/C27H25N2O3.CHF3O3S/c1-28-23(19-10-6-5-7-11-19)17-24-21(20-12-8-9-13-22(20)29(24)28)14-18-15-25(30-2)27(32-4)26(16-18)31-3;2-1(3,4)8(5,6)7/h5-17H,1-4H3;(H,5,6,7)/q+1;/p-1/b21-14-;"	C[N+]1=C(C=C\\2N1C3=CC=CC=C3/C2=C/C4=CC(=C(C(=C4)OC)OC)OC)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]	ABTRGBPZHBNPDD-UXTSPRGOSA-M
DG62513	"4-[(Z)-[2-(1-adamantyl)-1-methylpyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]-N,N-dimethylaniline;trifluoromethanesulfonate"	5470315	NSC699475; CHEMBL1987413; NSC-699475	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699475	.	.	.	.	585.7	C31H34F3N3O3S	77.6	881	.	41	0	7	3	"InChI=1S/C30H34N3.CHF3O3S/c1-31(2)24-10-8-20(9-11-24)15-26-25-6-4-5-7-27(25)33-28(26)16-29(32(33)3)30-17-21-12-22(18-30)14-23(13-21)19-30;2-1(3,4)8(5,6)7/h4-11,15-16,21-23H,12-14,17-19H2,1-3H3;(H,5,6,7)/q+1;/p-1"	C[N+]1=C(C=C\\2N1C3=CC=CC=C3/C2=C/C4=CC=C(C=C4)N(C)C)C56CC7CC(C5)CC(C7)C6.C(F)(F)(F)S(=O)(=O)[O-]	SRUWEDXOSIBNLM-UHFFFAOYSA-M
DG62514	"3-methoxy-N,N-dimethyl-4-[(Z)-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]aniline;trifluoromethanesulfonate"	5470317	NSC699476; NSC-699476	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699476	.	.	.	.	557.6	C28H26F3N3O4S	86.9	787	.	39	0	8	4	"InChI=1S/C27H26N3O.CHF3O3S/c1-28(2)21-15-14-20(27(17-21)31-4)16-23-22-12-8-9-13-24(22)30-26(23)18-25(29(30)3)19-10-6-5-7-11-19;2-1(3,4)8(5,6)7/h5-18H,1-4H3;(H,5,6,7)/q+1;/p-1"	C[N+]1=C(C=C\\2N1C3=CC=CC=C3/C2=C/C4=C(C=C(C=C4)N(C)C)OC)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]	OTUQBJVZQSQBAC-UHFFFAOYSA-M
DG62515	"N,N-dimethyl-4-[(E,3Z)-3-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)prop-1-enyl]aniline;trifluoromethanesulfonate"	5470319	NSC699477; CHEMBL1966876; NSC-699477	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699477	.	.	.	.	553.6	C29H26F3N3O3S	77.6	798	.	39	0	7	4	"InChI=1S/C28H26N3.CHF3O3S/c1-29(2)23-18-16-21(17-19-23)10-9-14-25-24-13-7-8-15-26(24)31-28(25)20-27(30(31)3)22-11-5-4-6-12-22;2-1(3,4)8(5,6)7/h4-20H,1-3H3;(H,5,6,7)/q+1;/p-1"	C[N+]1=C(C=C\\2N1C3=CC=CC=C3/C2=C/C=C/C4=CC=C(C=C4)N(C)C)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]	DNLNFVZGMBQFNX-UHFFFAOYSA-M
DG62516	"ethyl (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-1-methylpyrazolo[1,5-a]indol-1-ium-2-carboxylate;trifluoromethanesulfonate"	5470321	NSC699478; NSC-699478	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699478	.	.	.	.	523.5	C24H24F3N3O5S	104	741	.	36	0	9	5	"InChI=1S/C23H24N3O2.CHF3O3S/c1-5-28-23(27)22-15-21-19(14-16-10-12-17(13-11-16)24(2)3)18-8-6-7-9-20(18)26(21)25(22)4;2-1(3,4)8(5,6)7/h6-15H,5H2,1-4H3;(H,5,6,7)/q+1;/p-1"	CCOC(=O)C1=[N+](N2C3=CC=CC=C3/C(=C/C4=CC=C(C=C4)N(C)C)/C2=C1)C.C(F)(F)(F)S(=O)(=O)[O-]	IFOWEZCGRQUKHO-UHFFFAOYSA-M
DG62517	Z-alpha-Chlorochalcone	5470324	NSC699680; (Z)-alpha-Chlorochalcone; Z-.alpha.-Chlorochalcone; CHEMBL1995074; alpha-Chloro-beta-phenylacrylophenone; NSC-699680	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699680	.	.	.	.	242.7	C15H11ClO	17.1	283	4.5	17	0	1	3	InChI=1S/C15H11ClO/c16-14(11-12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-11H/b14-11-	C1=CC=C(C=C1)/C=C(/C(=O)C2=CC=CC=C2)\\Cl	QVJBOBWETDUBFS-KAMYIIQDSA-N
DG62518	"5-bromo-6-[[(E)-3-nitroallyloxy]methyl]-1,3-benzodioxole"	5470336	"NSC699769; CHEMBL1964552; NSC-699769; 5-bromo-6-[[(E)-3-nitroallyloxy]methyl]-1,3-benzodioxole; (3-((6-Bromo-1,3-benzodioxol-5-yl)methoxy)-1-propenyl)(hydroxy)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699769	.	.	.	.	316.1	C11H10BrNO5	73.5	319	2.2	18	0	5	4	"InChI=1S/C11H10BrNO5/c12-9-5-11-10(17-7-18-11)4-8(9)6-16-3-1-2-13(14)15/h1-2,4-5H,3,6-7H2/b2-1+"	C1OC2=C(O1)C=C(C(=C2)COC/C=C/[N+](=O)[O-])Br	MLFRYNXYNRRLRL-OWOJBTEDSA-N
DG62519	"5-(methoxymethyl)-6-[(E)-2-nitrovinyl]-1,3-benzodioxole"	5470338	"NSC699777; CHEMBL1973526; NSC-699777; 5-(methoxymethyl)-6-[(E)-2-nitrovinyl]-1,3-benzodioxole; Hydroxy(2-(6-(methoxymethyl)-1,3-benzodioxol-5-yl)vinyl)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699777	.	.	.	.	237.21	C11H11NO5	73.5	301	1.6	17	0	5	3	"InChI=1S/C11H11NO5/c1-15-6-9-5-11-10(16-7-17-11)4-8(9)2-3-12(13)14/h2-5H,6-7H2,1H3/b3-2+"	COCC1=CC2=C(C=C1/C=C/[N+](=O)[O-])OCO2	GTWAMVYOTJMGHJ-NSCUHMNNSA-N
DG62520	O1-ethyl O4-[(E)-2-nitrovinyl] (E)-but-2-enedioate	5470339	"NSC699785; CHEMBL1987647; NSC-699785; But-2-enedioic acid, ethyl ester, 2-nitro-vinyl ester; O1-ethyl O4-[(E)-2-nitrovinyl] (E)-but-2-enedioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699785	.	.	.	.	215.16	C8H9NO6	98.4	301	0.5	15	0	6	6	"InChI=1S/C8H9NO6/c1-2-14-7(10)3-4-8(11)15-6-5-9(12)13/h3-6H,2H2,1H3/b4-3+,6-5+"	CCOC(=O)/C=C/C(=O)O/C=C/[N+](=O)[O-]	ZVPAYRLMKLPZST-VNKDHWASSA-N
DG62521	"1-(2,6-Di-tert-butyl-4-methoxyphenyl) 4-(2-(hydroxy(oxido)amino)vinyl) 2-butenedioate"	5470340	"NSC699787; CHEMBL1992754; NSC-699787; 1-(2,6-Di-tert-butyl-4-methoxyphenyl) 4-(2-(hydroxy(oxido)amino)vinyl) 2-butenedioate; O4-(2,6-ditert-butyl-4-methoxy-phenyl) O1-[(E)-2-nitrovinyl] (E)-but-2-enedioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699787	.	.	.	.	405.4	C21H27NO7	108	625	5.1	29	0	7	9	"InChI=1S/C21H27NO7/c1-20(2,3)15-12-14(27-7)13-16(21(4,5)6)19(15)29-18(24)9-8-17(23)28-11-10-22(25)26/h8-13H,1-7H3/b9-8+,11-10+"	CC(C)(C)C1=CC(=CC(=C1OC(=O)/C=C/C(=O)O/C=C/[N+](=O)[O-])C(C)(C)C)OC	ZVTXJIHHTKOISF-BNFZFUHLSA-N
DG62522	"(2E)-2-[(4-fluoroanilino)methylidene]-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	5470347	NSC699950; CHEMBL1969719; NSC-699950	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699950	.	.	.	.	406.4	C25H15FN4O	70.7	813	4.4	31	1	5	3	"InChI=1S/C25H15FN4O/c26-17-10-12-18(13-11-17)28-15-20-23(16-6-2-1-3-7-16)19(14-27)24-29-21-8-4-5-9-22(21)30(24)25(20)31/h1-13,15,28H/b20-15+"	C1=CC=C(C=C1)C\\2=C(C3=NC4=CC=CC=C4N3C(=O)/C2=C/NC5=CC=C(C=C5)F)C#N	DIAIWIHGFKTPSE-HMMYKYKNSA-N
DG62523	"(2E)-2-[(4-fluoroanilino)methylidene]-7,8-dimethyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	5470348	NSC699951; CHEMBL2004849; NSC-699951	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699951	.	.	.	.	434.5	C27H19FN4O	70.7	874	5.1	33	1	5	3	"InChI=1S/C27H19FN4O/c1-16-12-23-24(13-17(16)2)32-26(31-23)21(14-29)25(18-6-4-3-5-7-18)22(27(32)33)15-30-20-10-8-19(28)9-11-20/h3-13,15,30H,1-2H3/b22-15+"	CC1=CC2=C(C=C1C)N3C(=N2)C(=C(/C(=C\\NC4=CC=C(C=C4)F)/C3=O)C5=CC=CC=C5)C#N	QVTRZQPYJNWFEC-PXLXIMEGSA-N
DG62524	"(2E)-1-oxo-3-phenyl-2-[[3-(trifluoromethyl)anilino]methylidene]pyrido[1,2-a]benzimidazole-4-carbonitrile"	5470350	NSC699954; CHEMBL1968294; NSC-699954	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699954	.	.	.	.	456.4	C26H15F3N4O	70.7	911	5.1	34	1	7	3	"InChI=1S/C26H15F3N4O/c27-26(28,29)17-9-6-10-18(13-17)31-15-20-23(16-7-2-1-3-8-16)19(14-30)24-32-21-11-4-5-12-22(21)33(24)25(20)34/h1-13,15,31H/b20-15+"	C1=CC=C(C=C1)C\\2=C(C3=NC4=CC=CC=C4N3C(=O)/C2=C/NC5=CC=CC(=C5)C(F)(F)F)C#N	XTWOOGKDUJGVCH-HMMYKYKNSA-N
DG62525	"2-Butenoic acid,4-dicyano-4-[[(5-methyl-2-thienyl)methylene]amino]-, methyl ester, (Z,E)-"	5470359	"NSC700029; CHEMBL1992450; NSC-700029; 2-Butenoic acid,4-dicyano-4-[[(5-methyl-2-thienyl)methylene]amino]-, methyl ester, (Z,E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700029	.	.	.	.	273.31	C13H11N3O2S	115	479	2	19	0	6	5	"InChI=1S/C13H11N3O2S/c1-10-3-4-11(19-10)7-16-13(8-14,9-15)6-5-12(17)18-2/h3-7H,1-2H3/b6-5-,16-7 "	CC1=CC=C(S1)C=NC(/C=C\\C(=O)OC)(C#N)C#N	VUHLHMSUEKQQSW-LFEODQJXSA-N
DG62526	"2-Butenoic acid,4-dicyano-, methyl ester, (Z,E)-"	5470360	"NSC700030; CHEMBL2000476; NSC-700030; 2-Butenoic acid,4-dicyano-, methyl ester, (Z,E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700030	.	.	.	.	338.18	C12H8BrN3O2S	115	484	2.3	19	0	6	5	"InChI=1S/C12H8BrN3O2S/c1-18-11(17)2-3-12(7-14,8-15)16-5-10-4-9(13)6-19-10/h2-6H,1H3/b3-2-,16-5 "	COC(=O)/C=C\\C(C#N)(C#N)N=CC1=CC(=CS1)Br	JOZKWGGTNATEHW-MBMVNLLUSA-N
DG62527	"(E)-1-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one"	5470362	"NSC700211; SCHEMBL996618; CHEMBL1978732; (E)-1-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one; NSC-700211; 1-(3,5-Dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700211	.	.	.	.	298.3	C18H18O4	44.8	359	3.6	22	0	4	6	"InChI=1S/C18H18O4/c1-20-15-7-4-13(5-8-15)6-9-18(19)14-10-16(21-2)12-17(11-14)22-3/h4-12H,1-3H3/b9-6+"	COC1=CC=C(C=C1)/C=C/C(=O)C2=CC(=CC(=C2)OC)OC	WUXJXFIZNJPAMA-RMKNXTFCSA-N
DG62528	"Homohalichondrin B diacetate 19,26-tetraol"	5470371	"NSC700367; NSC-700367; NCI60_036027; Homohalichondrin B diacetate 19,26-tetraol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700367	.	.	.	.	1275.4	C65H94O25	298	2710	1.9	90	4	25	8	"InChI=1S/C65H94O25/c1-28-19-63(86-44-16-38-39(81-52(28)44)15-40(78-38)48(74-33(6)69)25-73-32(5)68)20-29(2)53-47(87-63)24-64(88-53)22-45-41(85-64)17-42-54(82-45)31(4)55-43(79-42)18-50-65(72,27-67)30(3)13-34(75-50)8-10-49-61(71,26-66)21-36(76-49)11-12-62-23-46-57(89-62)58-59(83-46)60(90-62)56-37(80-58)9-7-35(77-56)14-51(70)84-55/h28-31,34-50,52-60,66-67,71-72H,7-27H2,1-6H3/t28-,29-,30+,31-,34-,35 ,36-,37+,38+,39+,40 ,41+,42-,43-,44-,45+,46 ,47-,48 ,49-,50 ,52-,53-,54-,55+,56-,57-,58 ,59-,60-,61 ,62-,63+,64-,65 /m0/s1"	C[C@@H]1C[C@@H]2CC[C@H]3C(C[C@@H](O3)CC[C@]45CC6[C@H](O4)C7[C@H](O6)[C@@H](O5)[C@@H]8[C@H](O7)CCC(O8)CC(=O)O[C@@H]9[C@H]([C@H]3[C@H](C[C@@H]4[C@H](O3)C[C@@]3(O4)C[C@H]4[C@@H](O3)[C@H](C[C@]3(O4)C[C@@H]([C@H]4[C@@H](O3)C[C@@H]3[C@H](O4)CC(O3)C(COC(=O)C)OC(=O)C)C)C)O[C@H]9CC(C1(CO)O)O2)C)(CO)O	HPTRWVYHIRSIJM-BDVYHGIASA-N
DG62529	"dimethyl [methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]methyl phosphate"	5470378	NSC700515; CHEMBL1968040; NSC-700515	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700515	.	.	.	.	387.5	C20H38NO4P	48	514	5.3	26	0	5	14	"InChI=1S/C20H38NO4P/c1-18(2)11-8-12-19(3)13-9-14-20(4)15-10-16-21(5)17-25-26(22,23-6)24-7/h11,13,15H,8-10,12,14,16-17H2,1-7H3/b19-13+,20-15+"	CC(=CCC/C(=C/CC/C(=C/CCN(C)COP(=O)(OC)OC)/C)/C)C	QKSZCWUMZZFAMK-YLYRKCBPSA-N
DG62530	"8-Quinolinone,6,7,8-tetrahydro-7-(phenylmethylene)-"	5470385	"MLS002702456; NSC700549; CHEMBL1885499; NSC-700549; SMR001566017; 8-Quinolinone,6,7,8-tetrahydro-7-(phenylmethylene)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700549	.	.	.	.	269.72	C16H12ClNO	30	373	4.3	19	0	2	1	"InChI=1S/C16H12ClNO/c17-14-9-8-12-6-7-13(16(19)15(12)18-14)10-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2/b13-10+"	C1C/C(=C\\C2=CC=CC=C2)/C(=O)C3=C1C=CC(=N3)Cl	GUNRWGBWPKWBSG-JLHYYAGUSA-N
DG62531	Pinnatin B	5470399	Pinnatin B; NSC700892; CHEMBL1979039; NSC-700892	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700892	.	.	.	.	386.4	C22H26O6	86.7	832	3.1	28	0	6	3	"InChI=1S/C22H26O6/c1-11(2)15-7-6-14-9-18(28-21(14)26)22(5)10-16(22)17(24)8-12(3)19(25)20(15)27-13(4)23/h8-9,15-16,18,20H,1,6-7,10H2,2-5H3/b12-8-/t15-,16+,18-,20-,22-/m0/s1"	C/C/1=C/C(=O)[C@H]2C[C@@]2([C@@H]3C=C(CC[C@H]([C@@H](C1=O)OC(=O)C)C(=C)C)C(=O)O3)C	NHVCNLPJSZCWRP-UIOUGSDCSA-N
DG62532	Austocystin D	5470400	"Austocystin D; 55256-53-6; CHEBI:67827; (4R,8R)-2,4,18-trihydroxy-15-(3-hydroxy-3-methylbutyl)-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one; CCRIS 2008; NSC700893; 5H-Furo(3',2':4,5)furo(3,2-b)xanthen-5-one, 3a,12a-dihydro-3a,4,6-trihydroxy-9-(3-hydroxy-3-methylbutyl)-, (3aR,12aR)-; CHEMBL1966436; DTXSID70970589; NSC-700893; NCI60_036248; BRD-K25987073-001-01-4; Q27136303; (3aR,12aR)-3a,4,6-trihydroxy-9-(3-hydroxy-3-methylbutyl)-3a,12a-dihydro-5H-furo[3',2':4,5]furo[3,2-b]xanthen-5-one; 3a,4,6-Trihydroxy-9-(3-hydroxy-3-methylbutyl)-3a,12a-dihydro-5H-furo[3',2':4,5]furo[3,2-b]xanthen-5-one; 5H-Furo[3',5]furo[3,2-b]xanthen-5-one, 3a,12a-dihydro-3a,4,6-trihydroxy-9-(3-hydroxy- 3-methylbutyl)-, (3aR-cis)-; 5H-Furo[3',5]furo[3,2-b]xanthen-5-one, 3a,12a-dihydro-3a,4,6-trihydroxy-9-(3-hydroxy-3-methylbutyl)-, (3aR,12aR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700893	.	.	.	.	412.4	C22H20O8	126	737	2.5	30	4	8	3	"InChI=1S/C22H20O8/c1-21(2,26)6-5-10-3-4-11(23)14-17(24)15-12(29-19(10)14)9-13-16(18(15)25)22(27)7-8-28-20(22)30-13/h3-4,7-9,20,23,25-27H,5-6H2,1-2H3/t20-,22-/m1/s1"	CC(C)(CCC1=C2C(=C(C=C1)O)C(=O)C3=C(C4=C(C=C3O2)O[C@@H]5[C@]4(C=CO5)O)O)O	VXTQFTUOAJRUDO-IFMALSPDSA-N
DG62533	"6-Hexyl-7-hydroxy-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one"	5470407	"313233-94-2; 6-hexyl-7-hydroxy-3-{7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-4-yl}-2H-chromen-2-one; NSC701104; SCHEMBL5940806; CHEMBL1966194; ZINC1862464; 6-hexyl-7-hydroxy-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one; AKOS024600063; MCULE-5027124695; NSC-701104; NCI60_036354; SR-01000408060; SR-01000408060-1; F0803-0097; 3-(benzo[d]imidazo[2,1-b]thiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701104	.	.	.	.	418.5	C24H22N2O3S	92.1	671	7.6	30	1	5	6	"InChI=1S/C24H22N2O3S/c1-2-3-4-5-8-15-11-16-12-17(23(28)29-21(16)13-20(15)27)18-14-26-19-9-6-7-10-22(19)30-24(26)25-18/h6-7,9-14,27H,2-5,8H2,1H3"	CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CN4C5=CC=CC=C5SC4=N3)O	KBGBYBXZSALCJS-UHFFFAOYSA-N
DG62534	"7-Methyl-2-(5-methyl-2-thienyl)-1,8-naphthyridine-4(1H)-one"	5470409	"CHEMBL50958; NSC701187; BDBM50081560; NSC-701187; NCI60_036379; 1, 7-methyl-2-(5-methyl-2-thienyl)-; 7-Methyl-2-(5-methyl-2-thienyl)-1,8-naphthyridine-4(1H)-one; 7-Methyl-2-(5-methyl-thiophen-2-yl)-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701187	.	.	.	.	256.32	C14H12N2OS	70.2	382	3	18	1	4	1	"InChI=1S/C14H12N2OS/c1-8-3-5-10-12(17)7-11(16-14(10)15-8)13-6-4-9(2)18-13/h3-7H,1-2H3,(H,15,16,17)"	CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=C(S3)C	VMNGOZCAFUKTMO-UHFFFAOYSA-N
DG62535	"7-Methyl-2-(3-methyl-2-thienyl)-1,8-naphthyridine-4(1H)-one"	5470410	"CHEMBL296839; NSC701188; BDBM50081570; NSC-701188; NCI60_036380; 1, 7-methyl-2-(3-methyl-2-thienyl)-; 7-Methyl-2-(3-methyl-2-thienyl)-1,8-naphthyridine-4(1H)-one; 7-Methyl-2-(3-methyl-thiophen-2-yl)-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701188	.	.	.	.	256.32	C14H12N2OS	70.2	382	2.9	18	1	4	1	"InChI=1S/C14H12N2OS/c1-8-5-6-18-13(8)11-7-12(17)10-4-3-9(2)15-14(10)16-11/h3-7H,1-2H3,(H,15,16,17)"	CC1=C(SC=C1)C2=CC(=O)C3=C(N2)N=C(C=C3)C	PAARUIKEXNWGTD-UHFFFAOYSA-N
DG62536	"7-Methyl-2-(2-thienyl)-1,8-naphthyridine-4(1H)-one"	5470411	"CHEMBL48653; NSC701189; BDBM50081563; NSC-701189; NCI60_036381; 7-Methyl-2-(2-thienyl)-1,8-naphthyridine-4(1H)-one; 7-Methyl-2-thiophen-2-yl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701189	.	.	.	.	242.3	C13H10N2OS	70.2	355	2.6	17	1	4	1	"InChI=1S/C13H10N2OS/c1-8-4-5-9-11(16)7-10(15-13(9)14-8)12-3-2-6-17-12/h2-7H,1H3,(H,14,15,16)"	CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=CS3	LZTBFZWKSHKFNC-UHFFFAOYSA-N
DG62537	"7-Methyl-2-(3-thienyl)-1,8-naphthyridine-4(1H)-one"	5470412	"CHEMBL46011; NSC701190; BDBM50081572; NSC-701190; NCI60_036382; 7-Methyl-2-(3-thienyl)-1,8-naphthyridine-4(1H)-one; 7-Methyl-2-thiophen-3-yl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701190	.	.	.	.	242.3	C13H10N2OS	70.2	355	2.5	17	1	4	1	"InChI=1S/C13H10N2OS/c1-8-2-3-10-12(16)6-11(15-13(10)14-8)9-4-5-17-7-9/h2-7H,1H3,(H,14,15,16)"	CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CSC=C3	YDMOCWCIGJOTHE-UHFFFAOYSA-N
DG62538	"7-Methyl-2-(2,5-dimethyl-3-thienyl)-1,8-naphthyridine-4(1H)-one"	5470413	"CHEMBL412886; NSC701191; BDBM50081569; NSC-701191; NCI60_036383; 7-Methyl-2-(2,5-dimethyl-3-thienyl)-1,8-naphthyridine-4(1H)-one; 2-(2,5-Dimethyl-thiophen-3-yl)-7-methyl-1H-[1,8]naphthyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701191	.	.	.	.	270.4	C15H14N2OS	70.2	409	3.3	19	1	4	1	"InChI=1S/C15H14N2OS/c1-8-4-5-11-14(18)7-13(17-15(11)16-8)12-6-9(2)19-10(12)3/h4-7H,1-3H3,(H,16,17,18)"	CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=C(SC(=C3)C)C	MPOCYEDDQCUTMA-UHFFFAOYSA-N
DG62539	"7-Methyl-2-(5-chloro-2-thienyl)-1,8-naphthyridine-4(1H)-one"	5470414	"CHEMBL50613; NSC701192; BDBM50081576; NSC-701192; NCI60_036384; 2-(5-Chloro-thiophen-2-yl)-7-methyl-1H-[1,8]naphthyridin-4-one; 7-Methyl-2-(5-chloro-2-thienyl)-1,8-naphthyridine-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701192	.	.	.	.	276.74	C13H9ClN2OS	70.2	387	3.5	18	1	4	1	"InChI=1S/C13H9ClN2OS/c1-7-2-3-8-10(17)6-9(16-13(8)15-7)11-4-5-12(14)18-11/h2-6H,1H3,(H,15,16,17)"	CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=C(S3)Cl	MNNFLOIBRFNAKA-UHFFFAOYSA-N
DG62540	NSC701225	5470418	"(8R,9S,13S,14S,16E)-3-methoxy-13-methyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one; NSC701225; CHEMBL1976402; NSC-701225"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701225	.	.	.	.	462.6	C29H34O5	54	765	5.9	34	0	5	5	"InChI=1S/C29H34O5/c1-29-11-10-22-21-9-7-20(31-2)15-18(21)6-8-23(22)24(29)16-19(28(29)30)12-17-13-25(32-3)27(34-5)26(14-17)33-4/h7,9,12-15,22-24H,6,8,10-11,16H2,1-5H3/b19-12+/t22-,23-,24+,29+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1C/C(=C\\C4=CC(=C(C(=C4)OC)OC)OC)/C2=O)CCC5=C3C=CC(=C5)OC	WZSDMIDMXOYQEZ-LBVVJSNLSA-N
DG62541	NSC701226	5470419	"(8R,9S,13S,14S,16E)-16-[(3,4-dimethoxyphenyl)methylidene]-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one; NSC701226; CHEMBL1972747; ZINC6003267; NSC-701226"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701226	.	.	.	.	432.5	C28H32O4	44.8	731	5.9	32	0	4	4	"InChI=1S/C28H32O4/c1-28-12-11-22-21-9-7-20(30-2)15-18(21)6-8-23(22)24(28)16-19(27(28)29)13-17-5-10-25(31-3)26(14-17)32-4/h5,7,9-10,13-15,22-24H,6,8,11-12,16H2,1-4H3/b19-13+/t22-,23-,24+,28+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1C/C(=C\\C4=CC(=C(C=C4)OC)OC)/C2=O)CCC5=C3C=CC(=C5)OC	SZBWKZHLROZHJQ-JMOBTMGKSA-N
DG62542	NSC701228	5470421	"(8R,9S,13S,14S,16E)-13-methyl-3-(2-pyrrolidin-1-ylethoxy)-16-[(3,4,5-trimethoxyphenyl)methylidene]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one; NSC701228; CHEMBL1994593; NSC-701228"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701228	.	.	.	.	545.7	C34H43NO5	57.2	902	6.4	40	0	6	8	"InChI=1S/C34H43NO5/c1-34-12-11-27-26-10-8-25(40-16-15-35-13-5-6-14-35)20-23(26)7-9-28(27)29(34)21-24(33(34)36)17-22-18-30(37-2)32(39-4)31(19-22)38-3/h8,10,17-20,27-29H,5-7,9,11-16,21H2,1-4H3/b24-17+/t27-,28-,29+,34+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1C/C(=C\\C4=CC(=C(C(=C4)OC)OC)OC)/C2=O)CCC5=C3C=CC(=C5)OCCN6CCCC6	JUBUTZARPJLCEI-GXFRTEOMSA-N
DG62543	"N-[5-[(Z)-3-[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-3-oxoprop-1-enyl]-1-methylpyrazol-3-yl]acetamide"	5470439	NSC701747; CHEMBL1980192; NSC-701747	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701747	.	.	.	.	423.9	C22H22ClN5O2	93.2	688	2.2	30	2	4	4	"InChI=1S/C22H22ClN5O2/c1-13(29)25-20-9-15(27(2)26-20)7-8-21(30)28-12-14(11-23)22-17-6-4-3-5-16(17)18(24)10-19(22)28/h3-10,14H,11-12,24H2,1-2H3,(H,25,26,29)/b8-7-"	CC(=O)NC1=NN(C(=C1)/C=C\\C(=O)N2CC(C3=C2C=C(C4=CC=CC=C43)N)CCl)C	CWQIJVNYJRUBQW-FPLPWBNLSA-N
DG62544	"3-Hydroxy-16-(3,5-trimethoxybenzylidene)-17-oxo-1,3,5(10)-estratriene"	5470445	"NSC701817; CHEMBL1628088; NSC-701817; 3-Hydroxy-16-(3,5-trimethoxybenzylidene)-17-oxo-1,3,5(10)-estratriene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701817	.	.	.	.	448.5	C28H32O5	65	749	5.6	33	1	5	4	"InChI=1S/C28H32O5/c1-28-10-9-21-20-8-6-19(29)14-17(20)5-7-22(21)23(28)15-18(27(28)30)11-16-12-24(31-2)26(33-4)25(13-16)32-3/h6,8,11-14,21-23,29H,5,7,9-10,15H2,1-4H3/b18-11+/t21-,22-,23+,28+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1C/C(=C\\C4=CC(=C(C(=C4)OC)OC)OC)/C2=O)CCC5=C3C=CC(=C5)O	SXBNEFMSOXFIIQ-RRXXRVPNSA-N
DG62545	"3-(2-Pyrrolidinoethoxy)-16-(p-N,3,5(10)-estratrien-17-ol"	5470450	"NSC701822; CHEMBL1997513; NSC-701822; 3-(2-Pyrrolidinoethoxy)-16-(p-N,3,5(10)-estratrien-17-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701822	.	.	.	.	500.7	C33H44N2O2	35.9	798	6.2	37	1	4	6	"InChI=1S/C33H44N2O2/c1-33-15-14-29-28-13-11-27(37-19-18-35-16-4-5-17-35)21-24(28)8-12-30(29)31(33)22-25(32(33)36)20-23-6-9-26(10-7-23)34(2)3/h6-7,9-11,13,20-21,29-32,36H,4-5,8,12,14-19,22H2,1-3H3/b25-20+/t29-,30-,31+,32+,33+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1C/C(=C\\C4=CC=C(C=C4)N(C)C)/[C@@H]2O)CCC5=C3C=CC(=C5)OCCN6CCCC6	QDFSIARIDWFWDY-ACNHUZAFSA-N
DG62546	"(E)-3-(3,4-dimethoxyphenyl)-1-[6-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-pyridyl]prop-2-en-1-one"	5470456	"NSC702045; CHEMBL1964394; NSC-702045; 2-Propenone,1'-(2,5-pyridinediyl)bis[3-(3,4-dimethoxyphenyl)-; 2-Propen-1-one, 1,1'-(2,6-pyridinediyl)bis[3-(3,4-dimethoxyphenyl)-, (2E,2'E)-; (E)-3-(3,4-dimethoxyphenyl)-1-[6-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-pyridyl]prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702045	.	.	.	.	459.5	C27H25NO6	84	664	4.9	34	0	7	10	"InChI=1S/C27H25NO6/c1-31-24-14-10-18(16-26(24)33-3)8-12-22(29)20-6-5-7-21(28-20)23(30)13-9-19-11-15-25(32-2)27(17-19)34-4/h5-17H,1-4H3/b12-8+,13-9+"	COC1=C(C=C(C=C1)/C=C/C(=O)C2=NC(=CC=C2)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC)OC	BEVKCQHNFCLRSS-QHKWOANTSA-N
DG62547	(E)-3-(2-thienyl)-1-[6-[(E)-3-(2-thienyl)prop-2-enoyl]-2-pyridyl]prop-2-en-1-one	5470457	"NSC702046; CHEMBL1967894; NSC-702046; 1,1'-(2,6-Pyridinediyl)bis[3-(2-thienyl)-2-propene-1-one]; (E)-3-(2-thienyl)-1-[6-[(E)-3-(2-thienyl)prop-2-enoyl]-2-pyridyl]prop-2-en-1-one; 2-Propen-1-one, 1,1'-(2,6-pyridinediyl)bis[3-(2-thienyl)-, (2E,2'E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702046	.	.	.	.	351.4	C19H13NO2S2	104	474	4.5	24	0	5	6	"InChI=1S/C19H13NO2S2/c21-18(10-8-14-4-2-12-23-14)16-6-1-7-17(20-16)19(22)11-9-15-5-3-13-24-15/h1-13H/b10-8+,11-9+"	C1=CC(=NC(=C1)C(=O)/C=C/C2=CC=CS2)C(=O)/C=C/C3=CC=CS3	JXBUPEYXXASESD-GFULKKFKSA-N
DG62548	(E)-3-(2-furyl)-1-[6-[(E)-3-(2-furyl)prop-2-enoyl]-2-pyridyl]prop-2-en-1-one	5470458	"NSC702047; CHEMBL1990999; NSC-702047; 2-Propenone,1'-(2,5-pyridinediyl)bis[3-(2-furanyl)-; (E)-3-(2-furyl)-1-[6-[(E)-3-(2-furyl)prop-2-enoyl]-2-pyridyl]prop-2-en-1-one; 2-Propen-1-one, 1,1'-(2,6-pyridinediyl)bis[3-(2-furanyl)-, (2E,2'E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702047	.	.	.	.	319.3	C19H13NO4	73.3	470	3.3	24	0	5	6	"InChI=1S/C19H13NO4/c21-18(10-8-14-4-2-12-23-14)16-6-1-7-17(20-16)19(22)11-9-15-5-3-13-24-15/h1-13H/b10-8+,11-9+"	C1=CC(=NC(=C1)C(=O)/C=C/C2=CC=CO2)C(=O)/C=C/C3=CC=CO3	UHQYWSWBZUNOOZ-GFULKKFKSA-N
DG62549	N-(2-Phenylethyl)-4-[[(3-phenylmethacryloyl)amino]methyl]benzamide	5470459	NSC702104; CHEMBL1978620; NSC-702104; N-(2-Phenylethyl)-4-[[(3-phenylmethacryloyl)amino]methyl]benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702104	.	.	.	.	398.5	C26H26N2O2	58.2	566	4.7	30	2	2	8	"InChI=1S/C26H26N2O2/c1-20(18-22-10-6-3-7-11-22)25(29)28-19-23-12-14-24(15-13-23)26(30)27-17-16-21-8-4-2-5-9-21/h2-15,18H,16-17,19H2,1H3,(H,27,30)(H,28,29)/b20-18+"	C/C(=C\\C1=CC=CC=C1)/C(=O)NCC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3	JMYBQJVKWWYLAZ-CZIZESTLSA-N
DG62550	methyl (2S)-3-methyl-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]butanoate	5470460	NSC702105; CHEMBL1966776; NSC-702105	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702105	.	.	.	.	408.5	C24H28N2O4	84.5	615	4.1	30	2	4	9	"InChI=1S/C24H28N2O4/c1-16(2)21(24(29)30-4)26-23(28)20-12-10-19(11-13-20)15-25-22(27)17(3)14-18-8-6-5-7-9-18/h5-14,16,21H,15H2,1-4H3,(H,25,27)(H,26,28)/b17-14+/t21-/m0/s1"	CC(C)[C@@H](C(=O)OC)NC(=O)C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC=CC=C2)/C	PUZHWKNCNDJEOO-UEBLJOKOSA-N
DG62551	methyl (2S)-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]-4-methylsulfanylbutanoate	5470461	NSC702106; CHEMBL1995882; NSC-702106	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702106	.	.	.	.	440.6	C24H28N2O4S	110	623	3.7	31	2	5	11	"InChI=1S/C24H28N2O4S/c1-17(15-18-7-5-4-6-8-18)22(27)25-16-19-9-11-20(12-10-19)23(28)26-21(13-14-31-3)24(29)30-2/h4-12,15,21H,13-14,16H2,1-3H3,(H,25,27)(H,26,28)/b17-15+/t21-/m0/s1"	C/C(=C\\C1=CC=CC=C1)/C(=O)NCC2=CC=C(C=C2)C(=O)N[C@@H](CCSC)C(=O)OC	VBJQKYLPTIHXAE-QGUORLBXSA-N
DG62552	methyl (2S)-3-(1H-indol-3-yl)-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]propanoate	5470462	NSC702108; CHEMBL1996712; NSC-702108	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702108	.	.	.	.	495.6	C30H29N3O4	100	814	4.8	37	3	4	10	"InChI=1S/C30H29N3O4/c1-20(16-21-8-4-3-5-9-21)28(34)32-18-22-12-14-23(15-13-22)29(35)33-27(30(36)37-2)17-24-19-31-26-11-7-6-10-25(24)26/h3-16,19,27,31H,17-18H2,1-2H3,(H,32,34)(H,33,35)/b20-16+/t27-/m0/s1"	C/C(=C\\C1=CC=CC=C1)/C(=O)NCC2=CC=C(C=C2)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)OC	VSBQZBCKRUSGJC-ONDKDMNRSA-N
DG62553	methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate	5470464	NSC702110; CHEMBL1993201; NSC-702110	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702110	.	.	.	.	518.6	C33H30N2O4	84.5	799	5.9	39	2	4	11	"InChI=1S/C33H30N2O4/c1-39-33(38)30(22-25-8-4-2-5-9-25)35-32(37)29-19-14-26(15-20-29)23-34-31(36)21-16-24-12-17-28(18-13-24)27-10-6-3-7-11-27/h2-21,30H,22-23H2,1H3,(H,34,36)(H,35,37)/b21-16+/t30-/m0/s1"	COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)/C=C/C3=CC=C(C=C3)C4=CC=CC=C4	PUTPHVJSNOIFAS-UKWOOVPBSA-N
DG62554	methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate	5470467	NSC702113; CHEMBL1968269; NSC-702113	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702113	.	.	.	.	548.6	C34H32N2O5	93.7	832	5.8	41	2	5	13	"InChI=1S/C34H32N2O5/c1-40-34(39)31(22-26-8-4-2-5-9-26)36-33(38)29-17-12-27(13-18-29)23-35-32(37)21-16-25-14-19-30(20-15-25)41-24-28-10-6-3-7-11-28/h2-21,31H,22-24H2,1H3,(H,35,37)(H,36,38)/b21-16+/t31-/m0/s1"	COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)/C=C/C3=CC=C(C=C3)OCC4=CC=CC=C4	GIFXQMFIJPQXBL-GHYURXRVSA-N
DG62555	N-benzyl-4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzamide	5470468	NSC702114; CHEMBL1997043; NSC-702114	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702114	.	.	.	.	476.6	C31H28N2O3	67.4	680	5.4	36	2	3	10	"InChI=1S/C31H28N2O3/c34-30(20-15-24-13-18-29(19-14-24)36-23-27-9-5-2-6-10-27)32-21-26-11-16-28(17-12-26)31(35)33-22-25-7-3-1-4-8-25/h1-20H,21-23H2,(H,32,34)(H,33,35)/b20-15+"	C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CNC(=O)/C=C/C3=CC=C(C=C3)OCC4=CC=CC=C4	JLFVZYHAHGSNDK-HMMYKYKNSA-N
DG62556	N-benzyl-4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzamide	5470470	NSC702116; CHEMBL1980499; NSC-702116	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702116	.	.	.	.	462.5	C30H26N2O3	67.4	673	5.4	35	2	3	9	"InChI=1S/C30H26N2O3/c33-29(19-16-23-10-7-13-28(20-23)35-27-11-5-2-6-12-27)31-21-25-14-17-26(18-15-25)30(34)32-22-24-8-3-1-4-9-24/h1-20H,21-22H2,(H,31,33)(H,32,34)/b19-16+"	C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CNC(=O)/C=C/C3=CC(=CC=C3)OC4=CC=CC=C4	UQDUAVRREQDFHY-KNTRCKAVSA-N
DG62557	methyl (2S)-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]-3-phenylpropanoate	5470471	NSC702117; CHEMBL1976488; NSC-702117	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702117	.	.	.	.	534.6	C33H30N2O5	93.7	825	5.8	40	2	5	12	"InChI=1S/C33H30N2O5/c1-39-33(38)30(22-24-9-4-2-5-10-24)35-32(37)27-18-15-26(16-19-27)23-34-31(36)20-17-25-11-8-14-29(21-25)40-28-12-6-3-7-13-28/h2-21,30H,22-23H2,1H3,(H,34,36)(H,35,37)/b20-17+/t30-/m0/s1"	COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)/C=C/C3=CC(=CC=C3)OC4=CC=CC=C4	MOCDWTYZCRQHIP-YGUKWBMBSA-N
DG62558	N-[2-(1H-indol-3-yl)ethyl]-4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzamide	5470474	NSC702120; CHEMBL1992221; NSC-702120	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702120	.	.	.	.	437.5	C28H27N3O2	74	677	4.9	33	3	2	8	"InChI=1S/C28H27N3O2/c1-20(17-21-7-3-2-4-8-21)27(32)31-18-22-11-13-23(14-12-22)28(33)29-16-15-24-19-30-26-10-6-5-9-25(24)26/h2-14,17,19,30H,15-16,18H2,1H3,(H,29,33)(H,31,32)/b20-17+"	C/C(=C\\C1=CC=CC=C1)/C(=O)NCC2=CC=C(C=C2)C(=O)NCCC3=CNC4=CC=CC=C43	OMTAJWKVMRUJTG-LVZFUZTISA-N
DG62559	4-[[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide	5470475	NSC702121; CHEMBL1987305; NSC-702121	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702121	.	.	.	.	495.5	C29H25N3O5	117	783	4.9	37	2	5	9	"InChI=1S/C29H25N3O5/c33-28(17-15-24-14-16-27(37-24)25-8-4-5-9-26(25)32(35)36)31-20-22-10-12-23(13-11-22)29(34)30-19-18-21-6-2-1-3-7-21/h1-17H,18-20H2,(H,30,34)(H,31,33)/b17-15+"	C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNC(=O)/C=C/C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]	VBUVMQUDSLWRPR-BMRADRMJSA-N
DG62560	methyl (2S)-3-(1H-indol-3-yl)-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate	5470477	NSC702123; CHEMBL1987279; NSC-702123	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702123	.	.	.	.	573.6	C35H31N3O5	110	942	6	43	3	5	12	"InChI=1S/C35H31N3O5/c1-42-35(41)32(21-27-23-36-31-13-6-5-12-30(27)31)38-34(40)26-17-14-25(15-18-26)22-37-33(39)19-16-24-8-7-11-29(20-24)43-28-9-3-2-4-10-28/h2-20,23,32,36H,21-22H2,1H3,(H,37,39)(H,38,40)/b19-16+/t32-/m0/s1"	COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)CNC(=O)/C=C/C4=CC(=CC=C4)OC5=CC=CC=C5	FTSAPKROXOYVHL-ITNCCAMPSA-N
DG62561	N-(3-methylbutyl)-4-[[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide	5470478	NSC702124; CHEMBL2000765; NSC-702124	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702124	.	.	.	.	461.5	C26H27N3O5	117	712	4.7	34	2	5	9	"InChI=1S/C26H27N3O5/c1-18(2)15-16-27-26(31)20-9-7-19(8-10-20)17-28-25(30)14-12-21-11-13-24(34-21)22-5-3-4-6-23(22)29(32)33/h3-14,18H,15-17H2,1-2H3,(H,27,31)(H,28,30)/b14-12+"	CC(C)CCNC(=O)C1=CC=C(C=C1)CNC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]	SPIIAAPSHZTYFB-WYMLVPIESA-N
DG62562	N-[2-(1H-Indole-3-yl)ethyl]-4-[[[3-[4-(benzyloxy)phenyl]acryloyl]amino]methyl]benzamide	5470479	NSC702125; CHEMBL2004760; NSC-702125; N-[2-(1H-Indole-3-yl)ethyl]-4-[[[3-[4-(benzyloxy)phenyl]acryloyl]amino]methyl]benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702125	.	.	.	.	529.6	C34H31N3O3	83.2	809	5.9	40	3	3	11	"InChI=1S/C34H31N3O3/c38-33(19-14-25-12-17-30(18-13-25)40-24-27-6-2-1-3-7-27)37-22-26-10-15-28(16-11-26)34(39)35-21-20-29-23-36-32-9-5-4-8-31(29)32/h1-19,23,36H,20-22,24H2,(H,35,39)(H,37,38)/b19-14+"	C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C/C(=O)NCC3=CC=C(C=C3)C(=O)NCCC4=CNC5=CC=CC=C54	ZSYCJKUTPWYRGG-XMHGGMMESA-N
DG62563	N-benzyl-4-[[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]methyl]benzamide	5470482	NSC702128; CHEMBL1974564; NSC-702128	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702128	.	.	.	.	420.5	C28H24N2O2	58.2	631	5.1	32	2	2	7	"InChI=1S/C28H24N2O2/c31-27(17-13-21-10-14-24-8-4-5-9-26(24)18-21)29-19-23-11-15-25(16-12-23)28(32)30-20-22-6-2-1-3-7-22/h1-18H,19-20H2,(H,29,31)(H,30,32)/b17-13+"	C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CNC(=O)/C=C/C3=CC4=CC=CC=C4C=C3	OOVJNXMYROIWAK-GHRIWEEISA-N
DG62564	N-[(R)-1-Phenylethyl]-4-[[[3-(3-phenoxyphenyl)acryloyl]amino]methyl]benzamide	5470483	NSC702129; CHEMBL1973592; NSC-702129; N-[(R)-1-Phenylethyl]-4-[[[3-(3-phenoxyphenyl)acryloyl]amino]methyl]benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702129	.	.	.	.	476.6	C31H28N2O3	67.4	703	5.8	36	2	3	9	"InChI=1S/C31H28N2O3/c1-23(26-10-4-2-5-11-26)33-31(35)27-18-15-25(16-19-27)22-32-30(34)20-17-24-9-8-14-29(21-24)36-28-12-6-3-7-13-28/h2-21,23H,22H2,1H3,(H,32,34)(H,33,35)/b20-17+/t23-/m1/s1"	C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)/C=C/C3=CC(=CC=C3)OC4=CC=CC=C4	LAKIVZHZYOAQEW-VEYZUFFBSA-N
DG62565	N-(2-Phenylethyl)-4-[[[3-(2-phenylthiazole-4-yl)acryloyl]amino]methyl]benzamide	5470485	NSC702131; CHEMBL1977542; NSC-702131; N-(2-Phenylethyl)-4-[[[3-(2-phenylthiazole-4-yl)acryloyl]amino]methyl]benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702131	.	.	.	.	467.6	C28H25N3O2S	99.3	665	5.1	34	2	4	9	"InChI=1S/C28H25N3O2S/c32-26(16-15-25-20-34-28(31-25)24-9-5-2-6-10-24)30-19-22-11-13-23(14-12-22)27(33)29-18-17-21-7-3-1-4-8-21/h1-16,20H,17-19H2,(H,29,33)(H,30,32)/b16-15+"	C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNC(=O)/C=C/C3=CSC(=N3)C4=CC=CC=C4	YQJPNSCXSQHZSY-FOCLMDBBSA-N
DG62566	"methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate"	5470488	NSC702134; CHEMBL2004770; NSC-702134	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702134	.	.	.	.	525.6	C30H27N3O4S	126	801	5	38	2	6	11	"InChI=1S/C30H27N3O4S/c1-37-30(36)26(18-21-8-4-2-5-9-21)33-28(35)23-14-12-22(13-15-23)19-31-27(34)17-16-25-20-38-29(32-25)24-10-6-3-7-11-24/h2-17,20,26H,18-19H2,1H3,(H,31,34)(H,33,35)/b17-16+/t26-/m0/s1"	COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)/C=C/C3=CSC(=N3)C4=CC=CC=C4	QLAJDJRYCJNDBK-ZOGILVBSSA-N
DG62567	methyl (2S)-4-methylsulfanyl-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]butanoate	5470490	NSC702136; CHEMBL1968034; NSC-702136	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702136	.	.	.	.	518.6	C29H30N2O5S	119	747	4.9	37	2	6	13	"InChI=1S/C29H30N2O5S/c1-35-29(34)26(17-18-37-2)31-28(33)23-14-11-22(12-15-23)20-30-27(32)16-13-21-7-6-10-25(19-21)36-24-8-4-3-5-9-24/h3-16,19,26H,17-18,20H2,1-2H3,(H,30,32)(H,31,33)/b16-13+/t26-/m0/s1"	COC(=O)[C@H](CCSC)NC(=O)C1=CC=C(C=C1)CNC(=O)/C=C/C2=CC(=CC=C2)OC3=CC=CC=C3	RTJDNSDEDUAYQJ-KWAUPFKJSA-N
DG62568	N-[2-(1H-indol-3-yl)ethyl]-4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzamide	5470491	NSC702137; CHEMBL1977412; NSC-702137	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702137	.	.	.	.	499.6	C33H29N3O2	74	775	6.1	38	3	2	9	"InChI=1S/C33H29N3O2/c37-32(19-14-24-10-15-27(16-11-24)26-6-2-1-3-7-26)36-22-25-12-17-28(18-13-25)33(38)34-21-20-29-23-35-31-9-5-4-8-30(29)31/h1-19,23,35H,20-22H2,(H,34,38)(H,36,37)/b19-14+"	C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)NCC3=CC=C(C=C3)C(=O)NCCC4=CNC5=CC=CC=C54	HPZVDVCNPNHIHM-XMHGGMMESA-N
DG62569	Heliquinomycin	5470493	"Heliquinomycin; methyl (2R,3R,3'R)-3,4',9',10-tetrahydroxy-3'-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-7'-methoxy-5',8',9-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate; 178182-49-5; NSC702208; CHEMBL1980027; DTXSID00939048; NSC-702208; NCI60_036616; Methyl 3'-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-3,4',9',10-tetrahydroxy-7'-methoxy-5',8',9-trioxo-4,5',8',9-tetrahydro-3H,3'H-spiro[benzo[1,2-b:5,4-c']dipyran-2,2'-naphtho[2,3-b]furan]-7-carboxyl; Spiro[benzo[1,4-c']dipyran-2(3H),2'(3'H)-naphtho[2,3- b]furan]-7-carboxylic acid, 3'-[(2,6-dideoxy-3-O-methylhexo pyranosyl)oxy]-4,5',8',9-tetrahydro-3,4',9',10-tetrahydroxy-7'-methoxy-5',8',9-trioxo-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702208	.	.	.	.	698.6	C33H30O17	243	1480	2.6	50	5	17	6	"InChI=1S/C33H30O17/c1-10-23(36)15(44-3)9-18(46-10)48-30-22-25(38)20-13(34)8-14(43-2)24(37)21(20)27(40)29(22)50-33(30)17(35)7-12-5-11-6-16(31(41)45-4)47-32(42)19(11)26(39)28(12)49-33/h5-6,8,10,15,17-18,23,30,35-36,38-40H,7,9H2,1-4H3/t10 ,15 ,17-,18 ,23 ,30-,33-/m1/s1"	CC1C(C(CC(O1)O[C@@H]2C3=C(C4=C(C(=C3O[C@]25[C@@H](CC6=C(O5)C(=C7C(=C6)C=C(OC7=O)C(=O)OC)O)O)O)C(=O)C(=CC4=O)OC)O)OC)O	MLFZQFHGXSVTGX-VJANPNJTSA-N
DG62570	"2-[(2E,6E,10E,14Z,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]benzene-1,4-diol"	5470495	NSC702326; CHEMBL2000621; NSC-702326	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702326	.	.	.	.	655	C46H70O2	40.5	1140	16.1	48	2	2	23	"InChI=1S/C46H70O2/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(47)33-34-46(44)48/h17,19,21,23,25,27,29,31,33-35,47-48H,10-16,18,20,22,24,26,28,30,32H2,1-9H3/b37-19+,38-21+,39-23+,40-25-,41-27+,42-29+,43-31+"	CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\\CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C=CC(=C1)O)O)/C)/C)/C)/C)/C)/C)/C)C	RFUXBANISHMTPU-YKVBXYFXSA-N
DG62571	NSC702327	5470496	"2-[(2E,6E,10E,14Z,18Z,22E,26E)-19-(hydroxymethyl)-3,7,11,15,23,27,31-heptamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]benzene-1,4-diol; NSC702327; CHEMBL2005163; NSC-702327; Benzene-1, 2-[19-(hydroxymethyl)-3,7,11,15,23,27,31-heptamethyl- 2,6,10,14,18,22,26,30-dotriacontaoctaenyl]-, (2E,6E,10E,14Z,18Z,22E,26E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702327	.	.	.	.	671	C46H70O3	60.7	1160	14.9	49	3	3	24	"InChI=1S/C46H70O3/c1-36(2)16-9-17-37(3)18-10-22-40(6)26-14-28-43(35-47)29-15-27-41(7)23-12-21-38(4)19-11-20-39(5)24-13-25-42(8)30-31-44-34-45(48)32-33-46(44)49/h16,18-19,23-24,26,29-30,32-34,47-49H,9-15,17,20-22,25,27-28,31,35H2,1-8H3/b37-18+,38-19+,39-24+,40-26+,41-23-,42-30+,43-29-"	CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\\CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C=CC(=C1)O)O)/C)/C)/C)/C)/CO)/C)/C)C	XLDYHBQVTLATGU-JAQZSTLASA-N
DG62572	NSC702328	5470497	"(2Z,6Z,10E,14E,18E)-20-(3,6-dioxocyclohexa-1,4-dien-1-yl)-6,10,14,18-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]icosa-2,6,10,14,18-pentaenal; NSC702328; CHEMBL1983968; NSC-702328"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702328	.	.	.	.	667	C46H66O3	51.2	1390	13.6	49	0	3	24	"InChI=1S/C46H66O3/c1-36(2)16-9-17-37(3)18-10-22-40(6)26-14-28-43(35-47)29-15-27-41(7)23-12-21-38(4)19-11-20-39(5)24-13-25-42(8)30-31-44-34-45(48)32-33-46(44)49/h16,18-19,23-24,26,29-30,32-35H,9-15,17,20-22,25,27-28,31H2,1-8H3/b37-18+,38-19+,39-24+,40-26+,41-23-,42-30+,43-29-"	CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\\CC/C(=C/CC/C(=C/CC/C(=C/CC1=CC(=O)C=CC1=O)/C)/C)/C)/C)/C=O)/C)/C)C	GULGQMRGJIGIOX-JAQZSTLASA-N
DG62573	"(5E)-5-benzylidene-3-(4-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	5470499	NSC702348; CHEMBL1987356; NSC-702348	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702348	.	.	.	.	478.5	C25H22N2O6S	119	730	5.2	34	0	7	6	"InChI=1S/C25H22N2O6S/c1-31-20-14-17(15-21(32-2)23(20)33-3)25-26(18-9-11-19(12-10-18)27(29)30)24(28)22(34-25)13-16-7-5-4-6-8-16/h4-15,25H,1-3H3/b22-13+"	COC1=CC(=CC(=C1OC)OC)C2N(C(=O)/C(=C\\C3=CC=CC=C3)/S2)C4=CC=C(C=C4)[N+](=O)[O-]	BYNKPXKXCGQSQH-LPYMAVHISA-N
DG62574	"(5E)-5-benzylidene-3-(3-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	5470500	NSC702349; CHEMBL1988733; NSC-702349	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702349	.	.	.	.	478.5	C25H22N2O6S	119	738	5.2	34	0	7	6	"InChI=1S/C25H22N2O6S/c1-31-20-13-17(14-21(32-2)23(20)33-3)25-26(18-10-7-11-19(15-18)27(29)30)24(28)22(34-25)12-16-8-5-4-6-9-16/h4-15,25H,1-3H3/b22-12+"	COC1=CC(=CC(=C1OC)OC)C2N(C(=O)/C(=C\\C3=CC=CC=C3)/S2)C4=CC(=CC=C4)[N+](=O)[O-]	NTYZVUITGAEFLS-WSDLNYQXSA-N
DG62575	"(5E)-5-benzylidene-3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	5470501	NSC702350; CHEMBL1972043; NSC-702350	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702350	.	.	.	.	463.5	C26H25NO5S	82.5	668	5.4	33	0	6	7	"InChI=1S/C26H25NO5S/c1-29-20-13-9-8-12-19(20)27-25(28)23(14-17-10-6-5-7-11-17)33-26(27)18-15-21(30-2)24(32-4)22(16-18)31-3/h5-16,26H,1-4H3/b23-14+"	COC1=CC=CC=C1N2C(S/C(=C/C3=CC=CC=C3)/C2=O)C4=CC(=C(C(=C4)OC)OC)OC	GOGVRUFIDNQCJI-OEAKJJBVSA-N
DG62576	"(5E)-5-benzylidene-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	5470502	NSC702351; CHEMBL1979096; NSC-702351	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702351	.	.	.	.	468	C25H22ClNO4S	73.3	648	6	32	0	5	6	"InChI=1S/C25H22ClNO4S/c1-29-20-14-17(15-21(30-2)23(20)31-3)25-27(19-11-9-18(26)10-12-19)24(28)22(32-25)13-16-7-5-4-6-8-16/h4-15,25H,1-3H3/b22-13+"	COC1=CC(=CC(=C1OC)OC)C2N(C(=O)/C(=C\\C3=CC=CC=C3)/S2)C4=CC=C(C=C4)Cl	DGOMKCKXTMYIFK-LPYMAVHISA-N
DG62577	"(5E)-5-benzylidene-3-(2-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	5470503	NSC702352; CHEMBL1977212; NSC-702352	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702352	.	.	.	.	468	C25H22ClNO4S	73.3	656	6	32	0	5	6	"InChI=1S/C25H22ClNO4S/c1-29-20-14-17(15-21(30-2)23(20)31-3)25-27(19-12-8-7-11-18(19)26)24(28)22(32-25)13-16-9-5-4-6-10-16/h4-15,25H,1-3H3/b22-13+"	COC1=CC(=CC(=C1OC)OC)C2N(C(=O)/C(=C\\C3=CC=CC=C3)/S2)C4=CC=CC=C4Cl	XWBBZFISGXRNFX-LPYMAVHISA-N
DG62578	"N-[4-[(5E)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide"	5470504	NSC702353; CHEMBL2006115; NSC-702353	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702353	.	.	.	.	490.6	C27H26N2O5S	102	749	4.6	35	1	6	7	"InChI=1S/C27H26N2O5S/c1-17(30)28-20-10-12-21(13-11-20)29-26(31)24(14-18-8-6-5-7-9-18)35-27(29)19-15-22(32-2)25(34-4)23(16-19)33-3/h5-16,27H,1-4H3,(H,28,30)/b24-14+"	CC(=O)NC1=CC=C(C=C1)N2C(S/C(=C/C3=CC=CC=C3)/C2=O)C4=CC(=C(C(=C4)OC)OC)OC	RLLSJXPGZOZYFN-ZVHZXABRSA-N
DG62579	"(5E)-5-benzylidene-3-(2,4,5-trichlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	5470506	NSC702355; CHEMBL1999692; NSC-702355	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702355	.	.	.	.	536.9	C25H20Cl3NO4S	73.3	723	7.3	34	0	5	6	"InChI=1S/C25H20Cl3NO4S/c1-31-20-10-15(11-21(32-2)23(20)33-3)25-29(19-13-17(27)16(26)12-18(19)28)24(30)22(34-25)9-14-7-5-4-6-8-14/h4-13,25H,1-3H3/b22-9+"	COC1=CC(=CC(=C1OC)OC)C2N(C(=O)/C(=C\\C3=CC=CC=C3)/S2)C4=CC(=C(C=C4Cl)Cl)Cl	NNYXCBVHQBOSQP-LSFURLLWSA-N
DG62580	"N-[3-[(5E)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide"	5470508	NSC702357; CHEMBL1992015; NSC-702357	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702357	.	.	.	.	490.6	C27H26N2O5S	102	757	4.6	35	1	6	7	"InChI=1S/C27H26N2O5S/c1-17(30)28-20-11-8-12-21(16-20)29-26(31)24(13-18-9-6-5-7-10-18)35-27(29)19-14-22(32-2)25(34-4)23(15-19)33-3/h5-16,27H,1-4H3,(H,28,30)/b24-13+"	CC(=O)NC1=CC(=CC=C1)N2C(S/C(=C/C3=CC=CC=C3)/C2=O)C4=CC(=C(C(=C4)OC)OC)OC	FQZGVUZAIWTZKW-ZMOGYAJESA-N
DG62581	"(5E)-5-benzylidene-3-(2,5-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	5470509	NSC702358; CHEMBL2003523; NSC-702358	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702358	.	.	.	.	493.6	C27H27NO6S	91.8	715	5.3	35	0	7	8	"InChI=1S/C27H27NO6S/c1-30-19-11-12-21(31-2)20(16-19)28-26(29)24(13-17-9-7-6-8-10-17)35-27(28)18-14-22(32-3)25(34-5)23(15-18)33-4/h6-16,27H,1-5H3/b24-13+"	COC1=CC(=C(C=C1)OC)N2C(S/C(=C/C3=CC=CC=C3)/C2=O)C4=CC(=C(C(=C4)OC)OC)OC	FEOBAXUXUVHCRN-ZMOGYAJESA-N
DG62582	"(5E)-3-benzyl-5-benzylidene-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	5470510	NSC702359; CHEMBL1998815; NSC-702359	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702359	.	.	.	.	447.5	C26H25NO4S	73.3	630	5.3	32	0	5	7	"InChI=1S/C26H25NO4S/c1-29-21-15-20(16-22(30-2)24(21)31-3)26-27(17-19-12-8-5-9-13-19)25(28)23(32-26)14-18-10-6-4-7-11-18/h4-16,26H,17H2,1-3H3/b23-14+"	COC1=CC(=CC(=C1OC)OC)C2N(C(=O)/C(=C\\C3=CC=CC=C3)/S2)CC4=CC=CC=C4	RFLIRMWWOWJKEB-OEAKJJBVSA-N
DG62583	"(5E)-5-benzylidene-3-pyridin-2-yl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	5470514	NSC702363; CHEMBL1999054; NSC-702363	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702363	.	.	.	.	434.5	C24H22N2O4S	86.2	625	4.7	31	0	6	6	"InChI=1S/C24H22N2O4S/c1-28-18-14-17(15-19(29-2)22(18)30-3)24-26(21-11-7-8-12-25-21)23(27)20(31-24)13-16-9-5-4-6-10-16/h4-15,24H,1-3H3/b20-13+"	COC1=CC(=CC(=C1OC)OC)C2N(C(=O)/C(=C\\C3=CC=CC=C3)/S2)C4=CC=CC=N4	MHKQDHBBJPROAR-DEDYPNTBSA-N
DG62584	"N-[3-(methylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanethioamide;hydrochloride"	5470518	NSC702408; CHEMBL1983529; NSC-702408	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702408	.	.	.	.	306.81	C11H19ClN4O2S	106	381	.	19	4	4	6	"InChI=1S/C11H18N4O2S.ClH/c1-8-6-15(11(17)14-10(8)16)7-9(18)13-5-3-4-12-2;/h6,12H,3-5,7H2,1-2H3,(H,13,18)(H,14,16,17);1H"	CC1=CN(C(=O)NC1=O)CC(=S)NCCCNC.Cl	OYCFQCKVSBPEMX-UHFFFAOYSA-N
DG62585	"[(E)-2,2,3-Trimethyl-3-(tosylaminocarbonyl)cyclopentylidene]acetic acid methyl ester"	5470525	"NSC702440; CHEMBL2005950; NSC-702440; [(E)-2,2,3-Trimethyl-3-(tosylaminocarbonyl)cyclopentylidene]acetic acid methyl ester; [(Z)-2,2,3-Trimethyl-3-(tosylaminocarbonyl)cyclopentylidene]acetic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702440	.	.	.	.	379.5	C19H25NO5S	97.9	696	2.9	26	1	5	5	"InChI=1S/C19H25NO5S/c1-13-6-8-15(9-7-13)26(23,24)20-17(22)19(4)11-10-14(18(19,2)3)12-16(21)25-5/h6-9,12H,10-11H2,1-5H3,(H,20,22)/b14-12+"	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2(CC/C(=C\\C(=O)OC)/C2(C)C)C	YJTIOVKGVCFPDN-WYMLVPIESA-N
DG62586	Graviquinone	5470526	"Graviquinone; NSC702644; CHEMBL1981072; ZINC6003943; NSC-702644; (E)-3-(1-Hydroxy-4-oxo-2,5-cyclohexadiene)-1-ylpropenoic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702644	.	.	.	.	194.18	C10H10O4	63.6	320	0.1	14	1	4	3	"InChI=1S/C10H10O4/c1-14-9(12)4-7-10(13)5-2-8(11)3-6-10/h2-7,13H,1H3/b7-4+"	COC(=O)/C=C/C1(C=CC(=O)C=C1)O	HVMSPHGUKBLNCL-QPJJXVBHSA-N
DG62587	"5-[3-(3,4-Dichlorophenylcarbamoyl)thioureido]-1,3,4-thiadiazole-2-sulfonamide"	5470532	"NSC702688; CHEMBL1970689; NSC-702688; NCI60_036745; 5-[3-(3,4-Dichlorophenylcarbamoyl)thioureido]-1,3,4-thiadiazole-2-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702688	.	.	.	.	427.3	C10H8Cl2N6O3S3	208	589	2.2	24	4	8	3	"InChI=1S/C10H8Cl2N6O3S3/c11-5-2-1-4(3-6(5)12)14-7(19)15-8(22)16-9-17-18-10(23-9)24(13,20)21/h1-3H,(H2,13,20,21)(H3,14,15,16,17,19,22)"	C1=CC(=C(C=C1NC(=O)NC(=S)NC2=NN=C(S2)S(=O)(=O)N)Cl)Cl	WRMIBVNYBCBNIH-UHFFFAOYSA-N
DG62588	"4-Thioureido-5,6-dichlorobenzene-1,3-disulfonamide"	5470533	"NSC702691; CHEMBL2003021; NSC-702691; NCI60_036748; 4-Thioureido-5,6-dichlorobenzene-1,3-disulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702691	.	.	.	.	379.3	C7H8Cl2N4O4S3	207	584	0.1	20	4	7	3	"InChI=1S/C7H8Cl2N4O4S3/c8-4-2(19(11,14)15)1-3(20(12,16)17)6(5(4)9)13-7(10)18/h1H,(H3,10,13,18)(H2,11,14,15)(H2,12,16,17)"	C1=C(C(=C(C(=C1S(=O)(=O)N)Cl)Cl)NC(=S)N)S(=O)(=O)N	PERGVKZLZFGENF-UHFFFAOYSA-N
DG62589	NSC702923	5470535	"10-[(5E,7E,13E,19E,25S,29S)-17,29-dihydroxy-2,3,15,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]-3,9-dimethoxy-4,8-dimethyl-5-oxoundecanoic acid; NSC702923; CHEMBL1993604; NSC-702923"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702923	.	.	.	.	951.2	C51H82O16	212	1690	4.5	67	3	16	17	"InChI=1S/C51H82O16/c1-29-16-15-17-45(56)66-49(35(7)48(64-13)31(3)20-23-39(52)33(5)42(62-11)28-44(54)55)32(4)19-22-36(59-8)25-40(53)30(2)18-21-37(60-9)26-41(61-10)34(6)50-47(58)38(27-46(57)67-50)51(65-14)43(24-29)63-12/h15-19,21-22,27,30-37,40-43,47-51,53,58H,20,23-26,28H2,1-14H3,(H,54,55)/b17-15+,21-18+,22-19+,29-16+/t30 ,31 ,32 ,33 ,34 ,35 ,36 ,37 ,40 ,41 ,42 ,43 ,47-,48 ,49 ,50-,51 /m0/s1"	CC1/C=C/C(CC(C([C@H]2[C@H](C(=CC(=O)O2)C(C(C/C(=C/C=C/C(=O)OC(C(/C=C/C(CC1O)OC)C)C(C)C(C(C)CCC(=O)C(C)C(CC(=O)O)OC)OC)/C)OC)OC)O)C)OC)OC	RNJIQGIXVCJDJF-UONDBWHXSA-N
DG62590	NSC702924	5470536	"N-[(E)-11-[(8E,14E,20E,26S,30S)-18,30-dihydroxy-2,3,16,22,24-pentamethoxy-5,13,19,25-tetramethyl-10,28-dioxo-6,11,27-trioxatricyclo[24.3.1.05,7]triaconta-1(29),8,14,20-tetraen-12-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-enyl]-N-methylformamide; NSC702924; NSC-702924"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702924	.	.	.	.	1006.3	C54H87NO16	208	1820	4.3	71	2	16	18	"InChI=1S/C54H87NO16/c1-32-18-21-39(63-10)28-44(65-12)36(5)52-49(61)40(29-48(60)70-52)53(68-15)45(66-13)30-54(7)46(71-54)24-25-47(59)69-51(34(3)19-22-38(62-9)27-42(32)58)37(6)50(67-14)33(2)20-23-41(57)35(4)43(64-11)17-16-26-55(8)31-56/h16,18-19,21-22,24-26,29,31-39,42-46,49-53,58,61H,17,20,23,27-28,30H2,1-15H3/b21-18+,22-19+,25-24+,26-16+/t32 ,33 ,34 ,35 ,36 ,37 ,38 ,39 ,42 ,43 ,44 ,45 ,46 ,49-,50 ,51 ,52-,53 ,54 /m0/s1"	CC1/C=C/C(CC(C([C@H]2[C@H](C(=CC(=O)O2)C(C(CC3(C(O3)/C=C/C(=O)OC(C(/C=C/C(CC1O)OC)C)C(C)C(C(C)CCC(=O)C(C)C(C/C=C/N(C)C=O)OC)OC)C)OC)OC)O)C)OC)OC	PWUYJAGZSLMJTH-BETXLWEESA-N
DG62591	NSC702925	5470537	"3,9-dimethoxy-4,8-dimethyl-5-oxo-10-[(5E,7E,13E,19E,25R)-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]undecanoic acid; NSC702925; CHEMBL1976445; NSC-702925"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702925	.	.	.	.	919.2	C51H82O14	172	1620	6.8	65	1	14	17	"InChI=1S/C51H82O14/c1-31-16-15-17-48(55)65-51(37(7)50(63-14)33(3)20-23-42(52)35(5)45(62-13)30-47(53)54)34(4)19-22-39(57-8)28-43(60-11)32(2)18-21-40(58-9)29-44(61-12)36(6)46-26-38(27-49(56)64-46)25-41(24-31)59-10/h15-19,21-22,27,32-37,39-41,43-46,50-51H,20,23-26,28-30H2,1-14H3,(H,53,54)/b17-15+,21-18+,22-19+,31-16+/t32 ,33 ,34 ,35 ,36 ,37 ,39 ,40 ,41 ,43 ,44 ,45 ,46-,50 ,51 /m1/s1"	CC1/C=C/C(CC(C([C@H]2CC(=CC(=O)O2)CC(C/C(=C/C=C/C(=O)OC(C(/C=C/C(CC1OC)OC)C)C(C)C(C(C)CCC(=O)C(C)C(CC(=O)O)OC)OC)/C)OC)C)OC)OC	CAIRKKJGUSKGIC-GOFNFUOESA-N
DG62592	"2,3-bis[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid"	5470542	"NSC702985; CHEMBL2005276; 2,3-bis[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid; NSC-702985; 2,3-Bis[(3,4-dimethoxycinnamoyl)amino]propanoic acid; N,N-Bis(3,4-dimethoxycinnamoyl)-2,3-diaminopropanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702985	.	.	.	.	484.5	C25H28N2O8	132	756	2.5	35	3	8	12	"InChI=1S/C25H28N2O8/c1-32-19-9-5-16(13-21(19)34-3)7-11-23(28)26-15-18(25(30)31)27-24(29)12-8-17-6-10-20(33-2)22(14-17)35-4/h5-14,18H,15H2,1-4H3,(H,26,28)(H,27,29)(H,30,31)/b11-7+,12-8+"	COC1=C(C=C(C=C1)/C=C/C(=O)NCC(C(=O)O)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC)OC	BRBMUUZATYIVGN-MKICQXMISA-N
DG62593	"N-(3-(3,4-Dihydroxyphenyl)acryloyl)serine"	5470543	"NSC702986; CHEMBL1975004; NSC-702986; N-(3-(3,4-Dihydroxyphenyl)acryloyl)serine; 2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-3-hydroxy-propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702986	.	.	.	.	267.23	C12H13NO6	127	356	-0.2	19	5	6	5	"InChI=1S/C12H13NO6/c14-6-8(12(18)19)13-11(17)4-2-7-1-3-9(15)10(16)5-7/h1-5,8,14-16H,6H2,(H,13,17)(H,18,19)/b4-2+"	C1=CC(=C(C=C1/C=C/C(=O)NC(CO)C(=O)O)O)O	WSMMQUUETYVJPH-DUXPYHPUSA-N
DG62594	Methyl 3-(acetyloxy)-2-((3-(3-(acetyloxy)-4-hydroxyphenyl)acryloyl)amino)propanoate	5470544	NSC702987; CHEMBL1978763; NSC-702987; Methyl 3-(acetyloxy)-2-((3-(3-(acetyloxy)-4-hydroxyphenyl)acryloyl)amino)propanoate; methyl 3-acetoxy-2-[[(E)-3-(3-acetoxy-4-hydroxy-phenyl)prop-2-enoyl]amino]propanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702987	.	.	.	.	365.3	C17H19NO8	128	559	0.9	26	2	8	10	"InChI=1S/C17H19NO8/c1-10(19)25-9-13(17(23)24-3)18-16(22)7-5-12-4-6-14(21)15(8-12)26-11(2)20/h4-8,13,21H,9H2,1-3H3,(H,18,22)/b7-5+"	CC(=O)OCC(C(=O)OC)NC(=O)/C=C/C1=CC(=C(C=C1)O)OC(=O)C	KQJYAPDDJMABGO-FNORWQNLSA-N
DG62595	"(6aS)-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dithione"	5470549	NSC703013; CHEMBL1979578; NSC-703013; NCI60_036781	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703013	.	.	.	.	384.5	C20H20N2O2S2	97.9	538	3.5	26	1	4	4	"InChI=1S/C20H20N2O2S2/c1-23-17-10-14-15(11-18(17)24-12-13-6-3-2-4-7-13)21-19(25)16-8-5-9-22(16)20(14)26/h2-4,6-7,10-11,16H,5,8-9,12H2,1H3,(H,21,25)/t16-/m0/s1"	COC1=C(C=C2C(=C1)C(=S)N3CCC[C@H]3C(=S)N2)OCC4=CC=CC=C4	ZZPCWQQZSSIIHK-INIZCTEOSA-N
DG62596	(5Z)-5-benzylidene-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enylimidazol-4-one	5470561	NSC703028; CHEMBL1975735; NSC-703028	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703028	.	.	.	.	298.4	C17H18N2OS	58	473	4	21	0	3	6	"InChI=1S/C17H18N2OS/c1-3-5-12-21-17-18-15(16(20)19(17)11-4-2)13-14-9-7-6-8-10-14/h3-10,13H,2,11-12H2,1H3/b5-3+,15-13-"	C/C=C/CSC1=N/C(=C\\C2=CC=CC=C2)/C(=O)N1CC=C	LNGXYUISTHXZBI-LROUIXOYSA-N
DG62597	"1,3,4,6-Tetrazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,7-diene-5-thione"	5470587	NSC703127; CHEMBL1970378; NSC-703127; NCI60_036859	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703127	.	.	.	.	288.4	C15H20N4S	71.8	552	1.9	20	2	2	0	"InChI=1S/C15H20N4S/c20-15-16-12-10-6-3-5-9-8-4-1-2-7-11(8)19(13(9)10)14(12)17-18-15/h8-9,11,13H,1-7H2,(H2,16,18,20)"	C1CCC2C(C1)C3CCCC4=C5C(=NNC(=S)N5)N2C34	TVWKFGRMFRJQKS-UHFFFAOYSA-N
DG62598	1-Cyclohexyl-3-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]thiourea	5470589	NSC703136; CHEMBL1970683; NSC-703136; NCI60_036868	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703136	.	.	.	.	378.5	C22H26N4S	74	485	4.8	27	2	2	4	"InChI=1S/C22H26N4S/c1-16-23-20-9-5-6-10-21(20)26(16)15-17-11-13-19(14-12-17)25-22(27)24-18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8,15H2,1H3,(H2,24,25,27)"	CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)NC(=S)NC4CCCCC4	UKZMJWGIRWFLGM-UHFFFAOYSA-N
DG62599	"(6E)-10-hydroxy-6,10-dimethyl-3-methylidene-1,3a,4,8,9,11a-hexahydrocyclopenta[10]annulene-2,5,11-trione"	5470594	NSC703215; CHEMBL1988231; NSC-703215	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703215	.	.	.	.	276.33	C16H20O4	71.4	529	0.8	20	1	4	0	"InChI=1S/C16H20O4/c1-9-5-4-6-16(3,20)15(19)12-8-14(18)10(2)11(12)7-13(9)17/h5,11-12,20H,2,4,6-8H2,1,3H3/b9-5+"	C/C/1=C\\CCC(C(=O)C2CC(=O)C(=C)C2CC1=O)(C)O	NGDGGQBNWUIJEF-WEVVVXLNSA-N
DG62600	"(6E)-10,11-dihydroxy-6,10-dimethyl-3-methylidene-3a,4,8,9,11,11a-hexahydro-1H-cyclopenta[10]annulene-2,5-dione"	5470595	NSC703216; CHEMBL1981088; NSC-703216	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703216	.	.	.	.	278.34	C16H22O4	74.6	491	0.6	20	2	4	0	"InChI=1S/C16H22O4/c1-9-5-4-6-16(3,20)15(19)12-8-14(18)10(2)11(12)7-13(9)17/h5,11-12,15,19-20H,2,4,6-8H2,1,3H3/b9-5+"	C/C/1=C\\CCC(C(C2CC(=O)C(=C)C2CC1=O)O)(C)O	WMEUFJZUIJWGOO-WEVVVXLNSA-N
DG62601	"4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-2-one"	5470596	NSC703319; CHEMBL1971016; NSC-703319	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703319	.	.	.	.	392.4	C23H20O6	85.2	692	4.1	29	2	6	6	"InChI=1S/C23H20O6/c1-27-21-12-15(6-9-19(21)24)3-4-17-11-18(29-23(26)14-17)8-5-16-7-10-20(25)22(13-16)28-2/h3-14,24-25H,1-2H3/b4-3+,8-5+"	COC1=C(C=CC(=C1)/C=C/C2=CC(=O)OC(=C2)/C=C/C3=CC(=C(C=C3)O)OC)O	HBQAGUJPXCUUFC-SALQQRKASA-N
DG62602	"4,6-bis[(E)-2-(3,4-dihydroxyphenyl)ethenyl]pyran-2-one"	5470597	NSC703320; CHEMBL1995032; NSC-703320	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703320	.	.	.	.	364.3	C21H16O6	107	662	3.5	27	4	6	4	"InChI=1S/C21H16O6/c22-17-7-4-13(10-19(17)24)1-2-15-9-16(27-21(26)12-15)6-3-14-5-8-18(23)20(25)11-14/h1-12,22-25H/b2-1+,6-3+"	C1=CC(=C(C=C1/C=C/C2=CC(=O)OC(=C2)/C=C/C3=CC(=C(C=C3)O)O)O)O	IEXJNXCOWDQAPR-YRALUDOXSA-N
DG62603	"2,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-4-one"	5470600	NSC703327; CHEMBL1997917; NSC-703327	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703327	.	.	.	.	392.4	C23H20O6	85.2	636	3.9	29	2	6	6	"InChI=1S/C23H20O6/c1-27-22-11-15(5-9-20(22)25)3-7-18-13-17(24)14-19(29-18)8-4-16-6-10-21(26)23(12-16)28-2/h3-14,25-26H,1-2H3/b7-3+,8-4+"	COC1=C(C=CC(=C1)/C=C/C2=CC(=O)C=C(O2)/C=C/C3=CC(=C(C=C3)O)OC)O	LEIAGYMDVSHOKS-FCXRPNKRSA-N
DG62604	"2,6-bis[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyran-4-one"	5470601	NSC703328; CHEMBL2006926; NSC-703328	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703328	.	.	.	.	392.4	C23H20O6	85.2	636	3.9	29	2	6	6	"InChI=1S/C23H20O6/c1-27-22-9-5-15(11-20(22)25)3-7-18-13-17(24)14-19(29-18)8-4-16-6-10-23(28-2)21(26)12-16/h3-14,25-26H,1-2H3/b7-3+,8-4+"	COC1=C(C=C(C=C1)/C=C/C2=CC(=O)C=C(O2)/C=C/C3=CC(=C(C=C3)OC)O)O	BLYXQHHQYFJRHU-FCXRPNKRSA-N
DG62605	"2,6-bis[(E)-2-(3,4-dihydroxyphenyl)ethenyl]pyran-4-one"	5470602	NSC703329; CHEMBL1997980; NSC-703329	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703329	.	.	.	.	364.3	C21H16O6	107	608	3.3	27	4	6	4	"InChI=1S/C21H16O6/c22-15-11-16(5-1-13-3-7-18(23)20(25)9-13)27-17(12-15)6-2-14-4-8-19(24)21(26)10-14/h1-12,23-26H/b5-1+,6-2+"	C1=CC(=C(C=C1/C=C/C2=CC(=O)C=C(O2)/C=C/C3=CC(=C(C=C3)O)O)O)O	FAOXYWQUAVURJX-IJIVKGSJSA-N
DG62606	"(4E,15Z,26E)-4,15,26-Triacontatriene-1,12,18,29-tetryne-3,28-diol"	5470603	"NSC703542; CHEMBL1981743; NSC-703542; (4E,15Z,26E)-4,15,26-Triacontatriene-1,12,18,29-tetryne-3,28-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703542	.	.	.	.	432.6	C30H40O2	40.5	713	8	32	2	2	16	"InChI=1S/C30H40O2/c1-3-29(31)27-25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-28-30(32)4-2/h1-2,5-6,25-32H,7-8,13-24H2/b6-5-,27-25+,28-26+"	C#CC(O)/C=C/CCCCCCC#CC/C=C\\CC#CCCCCCC/C=C/C(O)C#C	PUFGWNJPJHYXPI-JGVBFEIUSA-N
DG62607	"(4E,15Z)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol"	5470604	NSC703543; CHEMBL1967812; NSC-703543	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703543	.	.	.	.	434.7	C30H42O2	40.5	740	8.3	32	2	2	17	"InChI=1S/C30H42O2/c1-3-29(31)27-25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-28-30(32)4-2/h1-2,5-6,25,27,29-32H,7-8,13-24,26,28H2/b6-5-,27-25+"	C#CC(CCCCCCCCC#CC/C=C\\CC#CCCCCCC/C=C/C(C#C)O)O	JXQKKFJMXWVGJQ-VBPYNGQDSA-N
DG62608	"(4E,12Z,27Z,43Z)-hexatetraconta-4,12,27,43-tetraen-1,18,21,45-tetrayne-3,20-diol"	5470605	NSC703544; CHEMBL1997100; NSC-703544	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703544	.	.	.	.	655	C46H70O2	40.5	1070	15.7	48	2	2	31	"InChI=1S/C46H70O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-34-37-40-43-46(48)44-41-38-35-32-29-26-23-22-24-27-30-33-36-39-42-45(47)4-2/h1-2,5-6,21,23,25-26,39,42,45-48H,7-20,22,24,27-38H2/b6-5-,25-21-,26-23-,42-39+"	C#C/C=C\\CCCCCCCCCCCCCC/C=C\\CCCCC#CC(C#CCCCC/C=C\\CCCCCC/C=C/C(C#C)O)O	NNHVKLPHDUEJMM-AZUTUPKRSA-N
DG62609	NSC703547	5470606	"methyl (2E)-2-[(1R,7R,10S,12R)-14-acetamido-7,14-dimethyl-4-oxo-6-azatetracyclo[8.3.1.02,6.07,12]tetradec-2-en-5-ylidene]acetate; NSC703547; CHEMBL1976722; NSC-703547; [[(1E,4R)-2-Oxo-9aalpha,11-dimethyl-11-(acetylamino)-1,2,4,5,5aalpha,6,7,8,9,9a-decahydro-4beta,7beta-methanopyrrolo[1,2-a]quinolin]-1-ylidene]acetic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703547	.	.	.	.	358.4	C20H26N2O4	75.7	770	1.5	26	1	5	3	"InChI=1S/C20H26N2O4/c1-11(23)21-20(3)12-5-6-19(2)13(7-12)8-14(20)15-9-17(24)16(22(15)19)10-18(25)26-4/h9-10,12-14H,5-8H2,1-4H3,(H,21,23)/b16-10+/t12-,13+,14-,19+,20 /m0/s1"	CC(=O)NC1([C@H]2CC[C@@]3([C@H](C2)C[C@H]1C4=CC(=O)/C(=C\\C(=O)OC)/N43)C)C	IVOIFIGQQDUQCP-HFXQCLIJSA-N
DG62610	3-Isopropyl-4-methyl-pentanoic acid 4-decylidene-2-hydroxymethyl-5-oxo-tetrahydro-furan-2-ylmethyl ester	5470622	CHEMBL107614; NSC703749; 3-Isopropyl-4-methyl-pentanoic acid 4-decylidene-2-hydroxymethyl-5-oxo-tetrahydro-furan-2-ylmethyl ester; BDBM50085878; NSC-703749; 3-[(1Z)-Decylidene]-5-(hydroxymethyl)-5-(3-isopropyl-4-methylpentanoyloxymethyl)tetrahydrofuran-2-one; 4-Methyl-3-isopropylpentanoic acid 2-(hydroxymethyl)-4-decylidene-5-oxotetrahydrofuran-2-ylmethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703749	.	.	.	.	424.6	C25H44O5	72.8	544	7.1	30	1	5	16	"InChI=1S/C25H44O5/c1-6-7-8-9-10-11-12-13-14-21-16-25(17-26,30-24(21)28)18-29-23(27)15-22(19(2)3)20(4)5/h14,19-20,22,26H,6-13,15-18H2,1-5H3/b21-14-"	CCCCCCCCC/C=C\\1/CC(OC1=O)(CO)COC(=O)CC(C(C)C)C(C)C	CNIXVXXLFHNKNC-STZFKDTASA-N
DG62611	4-Methyl-3-isopropylpentanoic acid 2-(hydroxymethyl)-4-(4-methyl-3-isopropylpentylidene)-5-oxotetrahydrofuran-2-ylmethyl ester	5470623	CHEMBL290876; 3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethyl-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydro-furan-2-ylmethyl ester; BDBM50085904; NSC703750; NSC-703750; 3-[(1Z)-3-Isopropyl-4-methylpentylidene]-5-(3-isopropyl-4-methylpentanoyloxymethyl)-5-(hydroxymethyl)tetrahydrofuran-2-one; 3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethyl-4-[3-isopropyl-4-methyl-pent-(Z)-ylidene]-5-oxo-tetrahydro-furan-2-ylmethyl ester; 4-Methyl-3-isopropylpentanoic acid 2-(hydroxymethyl)-4-(4-methyl-3-isopropylpentylidene)-5-oxotetrahydrofuran-2-ylmethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703750	.	.	.	.	410.6	C24H42O5	72.8	560	5.7	29	1	5	12	"InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9-"	CC(C)C(C/C=C\\1/CC(OC1=O)(CO)COC(=O)CC(C(C)C)C(C)C)C(C)C	YICZBOMOCOUNSS-OCKHKDLRSA-N
DG62612	NSC703751	5470624	3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethyl-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydro-furan-2-ylmethyl ester; CHEMBL137288; NSC703751; 3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethyl-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydro-furan-2-ylmethyl ester; BDBM50085880; NSC-703751; 3-Isopropyl-4-methylpentanoic acid [2-(hydroxymethyl)-4-[(E)-3-isopropyl-4-methylpentylidene]-5-oxotetrahydrofuran-2-yl]methyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703751	.	.	.	.	410.6	C24H42O5	72.8	560	5.7	29	1	5	12	"InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9+"	CC(C)C(C/C=C/1\\CC(OC1=O)(CO)COC(=O)CC(C(C)C)C(C)C)C(C)C	YICZBOMOCOUNSS-DJKKODMXSA-N
DG62613	"(E)-[4-decylidene-2-(hydroxymethyl)-5-oxo-2,3-dihydrofur-2-yl]methyl cyclohexanecarboxylate"	5470628	"CHEMBL379945; NSC703756; BDBM50187518; NSC-703756; (E)-[4-decylidene-2-(hydroxymethyl)-5-oxo-2,3-dihydrofur-2-yl]methyl cyclohexanecarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703756	.	.	.	.	394.5	C23H38O5	72.8	521	6.4	28	1	5	13	"InChI=1S/C23H38O5/c1-2-3-4-5-6-7-8-10-15-20-16-23(17-24,28-22(20)26)18-27-21(25)19-13-11-9-12-14-19/h15,19,24H,2-14,16-18H2,1H3/b20-15+"	CCCCCCCCC/C=C/1\\CC(OC1=O)(CO)COC(=O)C2CCCCC2	TWJLJPPXHKRRIE-HMMYKYKNSA-N
DG62614	"(Z)-{2-(hydroxymethyl)-4-[4-methyl-3-(methylethyl)pentylidene]-5-oxo-2,3-dihydrofur-2-yl}methyl benzoate"	5470629	"CHEMBL210495; NSC703757; BDBM50187534; NSC-703757; (Z)-{2-(hydroxymethyl)-4-[4-methyl-3-(methylethyl)pentylidene]-5-oxo-2,3-dihydrofur-2-yl}methyl benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703757	.	.	.	.	374.5	C22H30O5	72.8	537	4.5	27	1	5	9	"InChI=1S/C22H30O5/c1-15(2)19(16(3)4)11-10-18-12-22(13-23,27-21(18)25)14-26-20(24)17-8-6-5-7-9-17/h5-10,15-16,19,23H,11-14H2,1-4H3/b18-10-"	CC(C)C(C/C=C\\1/CC(OC1=O)(CO)COC(=O)C2=CC=CC=C2)C(C)C	LBUKYFWZBTXWFE-ZDLGFXPLSA-N
DG62615	"(Z)-{2-(hydroxymethyl)-4-[4-methyl-3-(methylethyl)pentylidene]-5-oxo-2,3-dihydrofur-2-yl}methylcyclohexanecarboxylate"	5470631	"CHEMBL208618; NSC703759; BDBM50187545; NSC-703759; (Z)-{2-(hydroxymethyl)-4-[4-methyl-3-(methylethyl)pentylidene]-5-oxo-2,3-dihydrofur-2-yl}methylcyclohexanecarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703759	.	.	.	.	380.5	C22H36O5	72.8	537	5	27	1	5	9	"InChI=1S/C22H36O5/c1-15(2)19(16(3)4)11-10-18-12-22(13-23,27-21(18)25)14-26-20(24)17-8-6-5-7-9-17/h10,15-17,19,23H,5-9,11-14H2,1-4H3/b18-10-"	CC(C)C(C/C=C\\1/CC(OC1=O)(CO)COC(=O)C2CCCCC2)C(C)C	MQVKKNWFZZUPHW-ZDLGFXPLSA-N
DG62616	"(E)-{2-(hydroxymethyl)-4-[4-methyl-3-(methylethyl)pentylidene]-5-oxo-2,3-dihydrofur-2-yl}methylcyclohexanecarboxylate"	5470632	"CHEMBL380039; BDBM50187537; NSC703760; NSC-703760; (E)-{2-(hydroxymethyl)-4-[4-methyl-3-(methylethyl)pentylidene]-5-oxo-2,3-dihydrofur-2-yl}methylcyclohexanecarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703760	.	.	.	.	380.5	C22H36O5	72.8	537	5	27	1	5	9	"InChI=1S/C22H36O5/c1-15(2)19(16(3)4)11-10-18-12-22(13-23,27-21(18)25)14-26-20(24)17-8-6-5-7-9-17/h10,15-17,19,23H,5-9,11-14H2,1-4H3/b18-10+"	CC(C)C(C/C=C/1\\CC(OC1=O)(CO)COC(=O)C2CCCCC2)C(C)C	MQVKKNWFZZUPHW-VCHYOVAHSA-N
DG62617	Pivalic acid [2-(hydroxymethyl)-4-[(Z)-3-isopropyl-4-methylpentylidene]-5-oxotetrahydrofuran-2-yl]methyl ester	5470633	"CHEMBL137701; NSC703761; 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydro-furan-2-ylmethyl ester; BDBM50107119; NSC-703761; (Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydro-furan-2-ylmethyl ester; Pivalic acid [2-(hydroxymethyl)-4-[(Z)-3-isopropyl-4-methylpentylidene]-5-oxotetrahydrofuran-2-yl]methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703761	.	.	.	.	354.5	C20H34O5	72.8	505	4.3	25	1	5	9	"InChI=1S/C20H34O5/c1-13(2)16(14(3)4)9-8-15-10-20(11-21,25-17(15)22)12-24-18(23)19(5,6)7/h8,13-14,16,21H,9-12H2,1-7H3/b15-8-"	CC(C)C(C/C=C\\1/CC(OC1=O)(CO)COC(=O)C(C)(C)C)C(C)C	SDADZOKIHXSRSR-NVNXTCNLSA-N
DG62618	Pivalic acid [2-(hydroxymethyl)-4-[(E)-3-isopropyl-4-methylpentylidene]-5-oxotetrahydrofuran-2-yl]methyl ester	5470634	"CHEMBL136760; 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydro-furan-2-ylmethyl ester; BDBM50107111; NSC703762; NSC-703762; (E) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydro-furan-2-ylmethyl ester; Pivalic acid [2-(hydroxymethyl)-4-[(E)-3-isopropyl-4-methylpentylidene]-5-oxotetrahydrofuran-2-yl]methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703762	.	.	.	.	354.5	C20H34O5	72.8	505	4.3	25	1	5	9	"InChI=1S/C20H34O5/c1-13(2)16(14(3)4)9-8-15-10-20(11-21,25-17(15)22)12-24-18(23)19(5,6)7/h8,13-14,16,21H,9-12H2,1-7H3/b15-8+"	CC(C)C(C/C=C/1\\CC(OC1=O)(CO)COC(=O)C(C)(C)C)C(C)C	SDADZOKIHXSRSR-OVCLIPMQSA-N
DG62619	3-(2-Hydroxymethyl-4-octadec-9-enylidene-5-oxo-tetrahydro-furan-2-yl)-acrylic acid methyl ester	5470635	"CHEMBL170120; BDBM50085884; NSC703763; NSC-703763; (alphaE,2S,4Z)-2beta-Hydroxymethyl-4-[(9Z)-9-octadecen-1-ylidene]-5-oxo-2,3,4,5-tetrahydrofuran-2-acrylic acid methyl ester; 3-(2-Hydroxymethyl-4-octadec-9-enylidene-5-oxo-tetrahydro-furan-2-yl)-acrylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703763	.	.	.	.	448.6	C27H44O5	72.8	620	7.9	32	1	5	19	"InChI=1S/C27H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22-27(23-28,32-26(24)30)21-20-25(29)31-2/h10-11,19-21,28H,3-9,12-18,22-23H2,1-2H3/b11-10-,21-20+,24-19-/t27-/m1/s1"	CCCCCCCC/C=C\\CCCCCCC/C=C\\1/C[C@@](OC1=O)(CO)/C=C/C(=O)OC	YUTZKTSDQCEUQO-ZGTHDJBKSA-N
DG62620	"methyl (E)-3-[(2S,4E)-2-(hydroxymethyl)-4-[(Z)-octadec-9-enylidene]-5-oxooxolan-2-yl]prop-2-enoate"	5470636	NSC703764; CHEMBL1970063; NSC-703764	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703764	.	.	.	.	448.6	C27H44O5	72.8	620	7.9	32	1	5	19	"InChI=1S/C27H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22-27(23-28,32-26(24)30)21-20-25(29)31-2/h10-11,19-21,28H,3-9,12-18,22-23H2,1-2H3/b11-10-,21-20+,24-19+/t27-/m1/s1"	CCCCCCCC/C=C\\CCCCCCC/C=C/1\\C[C@@](OC1=O)(CO)/C=C/C(=O)OC	YUTZKTSDQCEUQO-CYGGBZKNSA-N
DG62621	"(2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]propanamide;hydrochloride"	5470638	NSC703779; CHEMBL1970134; NSC-703779	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703779	.	.	.	.	368.3	C16H15Cl2N3OS	96.2	411	.	23	3	4	3	"InChI=1S/C16H14ClN3OS.ClH/c1-9(18)15(21)19-12-7-6-10(8-11(12)17)16-20-13-4-2-3-5-14(13)22-16;/h2-9H,18H2,1H3,(H,19,21);1H/t9-;/m0./s1"	C[C@@H](C(=O)NC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)Cl)N.Cl	UJGQFFBTGMERIK-FVGYRXGTSA-N
DG62622	"3-Hydroxy-16(4'-pyridylmethylene)-17-oxo-1,5(10)-estratriene"	5470644	"NSC703823; CHEMBL1627772; NSC-703823; 3-Hydroxy-16(4'-pyridylmethylene)-17-oxo-1,5(10)-estratriene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703823	.	.	.	.	359.5	C24H25NO2	50.2	622	4.1	27	1	3	1	"InChI=1S/C24H25NO2/c1-24-9-6-20-19-5-3-18(26)13-16(19)2-4-21(20)22(24)14-17(23(24)27)12-15-7-10-25-11-8-15/h3,5,7-8,10-13,20-22,26H,2,4,6,9,14H2,1H3/b17-12+/t20-,21-,22+,24+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1C/C(=C\\C4=CC=NC=C4)/C2=O)CCC5=C3C=CC(=C5)O	HINKGPCPTZTWOD-NDVBANHNSA-N
DG62623	"4-[(1E,3E,5E)-6-(4-bromophenyl)-1,2,3,4,5,6-hexafluorohexa-1,3,5-trienyl]-N,N-dimethylaniline"	5470675	NSC704085; CHEMBL1975762; NSC-704085	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704085	.	.	.	.	462.2	C20H14BrF6N	3.2	641	5.6	28	0	7	5	"InChI=1S/C20H14BrF6N/c1-28(2)14-9-5-12(6-10-14)16(23)18(25)20(27)19(26)17(24)15(22)11-3-7-13(21)8-4-11/h3-10H,1-2H3/b17-15+,18-16+,20-19+"	CN(C)C1=CC=C(C=C1)/C(=C(/C(=C(/C(=C(/C2=CC=C(C=C2)Br)\\F)/F)\\F)/F)\\F)/F	DOEIIWUESIRGGI-HZDHKWBCSA-N
DG62624	NSC704587	5470694	"5-Hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-6,8-dimethoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one; NSC704587; CHEMBL2007520; NSC-704587; NCI60_037337"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704587	.	.	.	.	682.6	C31H38O17	253	1120	-0.5	48	8	17	9	"InChI=1S/C31H38O17/c1-10-6-12(7-14(41-3)17(10)32)13-8-44-26-16(19(13)34)21(36)27(42-4)29(28(26)43-5)48-31-25(40)23(38)20(35)15(47-31)9-45-30-24(39)22(37)18(33)11(2)46-30/h6-8,11,15,18,20,22-25,30-33,35-40H,9H2,1-5H3"	CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3OC)OC=C(C4=O)C5=CC(=C(C(=C5)C)O)OC)O)OC)O)O)O)O)O)O	OUVQAXPDYPPQCR-UHFFFAOYSA-N
DG62625	NSC704612	5470700	"(3S,8R,9S,10R,13S,14S,16E)-3-hydroxy-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one; NSC704612; CHEMBL1982620; NSC-704612"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704612	.	.	.	.	466.6	C29H38O5	65	849	5.2	34	1	5	4	"InChI=1S/C29H38O5/c1-28-10-8-20(30)16-19(28)6-7-21-22(28)9-11-29(2)23(21)15-18(27(29)31)12-17-13-24(32-3)26(34-5)25(14-17)33-4/h6,12-14,20-23,30H,7-11,15-16H2,1-5H3/b18-12+/t20-,21+,22-,23-,28-,29-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\\C5=CC(=C(C(=C5)OC)OC)OC)/C4=O)C)O	PYWGMPHICGZCRW-QEAOPJSWSA-N
DG62626	NSC704614	5470702	"(8R,9S,10R,13S,14S,16E)-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione; NSC704614; CHEMBL1985288; NSC-704614"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704614	.	.	.	.	464.6	C29H36O5	61.8	890	4.7	34	0	5	4	"InChI=1S/C29H36O5/c1-28-10-8-20(30)16-19(28)6-7-21-22(28)9-11-29(2)23(21)15-18(27(29)31)12-17-13-24(32-3)26(34-5)25(14-17)33-4/h12-14,16,21-23H,6-11,15H2,1-5H3/b18-12+/t21-,22+,23+,28+,29+/m1/s1"	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\\C5=CC(=C(C(=C5)OC)OC)OC)/C4=O)C	AFRAMRMHMXULFV-SRXIZSCHSA-N
DG62627	"N,N'-[(Methylimino)bis(ethylene)]bis(1-methyl-1H-benzo[g]indole-3-carbothioamide)"	5470705	"NSC704623; CHEMBL2005794; NSC-704623; NCI60_037371; N,N'-[(Methylimino)bis(ethylene)]bis(1-methyl-1H-benzo[g]indole-3-carbothioamide)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704623	.	.	.	.	563.8	C33H33N5S2	101	828	6.1	40	2	3	8	"InChI=1S/C33H33N5S2/c1-36(18-16-34-32(39)28-20-37(2)30-24-10-6-4-8-22(24)12-14-26(28)30)19-17-35-33(40)29-21-38(3)31-25-11-7-5-9-23(25)13-15-27(29)31/h4-15,20-21H,16-19H2,1-3H3,(H,34,39)(H,35,40)"	CN1C=C(C2=C1C3=CC=CC=C3C=C2)C(=S)NCCN(C)CCNC(=S)C4=CN(C5=C4C=CC6=CC=CC=C65)C	ZWGPMGUNYKQDAJ-UHFFFAOYSA-N
DG62628	"3-[1-(1,3-benzothiazol-2-yl)-3-chloro-2-oxo-6-[(E)-2-phenylethenyl]-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid"	5470706	NSC704634; CHEMBL1987662; NSC-704634	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704634	.	.	.	.	551	C26H19ClN4O4S2	140	1060	4.9	37	1	8	5	"InChI=1S/C26H19ClN4O4S2/c27-23-24(32)30(25-28-21-11-4-5-12-22(21)36-25)26(23)16-18(14-13-17-7-2-1-3-8-17)29-31(26)19-9-6-10-20(15-19)37(33,34)35/h1-15,23H,16H2,(H,33,34,35)/b14-13+"	C1C(=NN(C12C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=CC=C5)S(=O)(=O)O)/C=C/C6=CC=CC=C6	ATBZTJLBWDORJQ-BUHFOSPRSA-N
DG62629	NSC704637	5470709	"3-[1-(1,3-benzothiazol-2-yl)-3-chloro-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid; NSC704637; CHEMBL1991562; NSC-704637"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704637	.	.	.	.	622.2	C30H28ClN5O4S2	143	1170	5.8	42	1	9	8	"InChI=1S/C30H28ClN5O4S2/c1-3-34(4-2)22-16-13-20(14-17-22)12-15-21-19-30(36(33-21)23-8-7-9-24(18-23)42(38,39)40)27(31)28(37)35(30)29-32-25-10-5-6-11-26(25)41-29/h5-18,27H,3-4,19H2,1-2H3,(H,38,39,40)/b15-12+"	CCN(CC)C1=CC=C(C=C1)/C=C/C2=NN(C3(C2)C(C(=O)N3C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)S(=O)(=O)O	GJRHITRDRUDSJP-NTCAYCPXSA-N
DG62630	NSC704638	5470710	"3-[1-(1,3-benzothiazol-2-yl)-3-chloro-6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid; NSC704638; CHEMBL1969658; NSC-704638"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704638	.	.	.	.	581.1	C27H21ClN4O5S2	149	1120	4.9	39	1	9	6	"InChI=1S/C27H21ClN4O5S2/c1-37-22-11-4-2-7-17(22)13-14-18-16-27(32(30-18)19-8-6-9-20(15-19)39(34,35)36)24(28)25(33)31(27)26-29-21-10-3-5-12-23(21)38-26/h2-15,24H,16H2,1H3,(H,34,35,36)/b14-13+"	COC1=CC=CC=C1/C=C/C2=NN(C3(C2)C(C(=O)N3C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)S(=O)(=O)O	CXIMSPYJZINYEJ-BUHFOSPRSA-N
DG62631	NSC704639	5470711	"3-[1-(1,3-benzothiazol-2-yl)-3-chloro-6-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid; NSC704639; CHEMBL1970205; NSC-704639"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704639	.	.	.	.	585.5	C26H18Cl2N4O4S2	140	1100	5.6	38	1	8	5	"InChI=1S/C26H18Cl2N4O4S2/c27-20-9-2-1-6-16(20)12-13-17-15-26(32(30-17)18-7-5-8-19(14-18)38(34,35)36)23(28)24(33)31(26)25-29-21-10-3-4-11-22(21)37-25/h1-14,23H,15H2,(H,34,35,36)/b13-12+"	C1C(=NN(C12C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=CC=C5)S(=O)(=O)O)/C=C/C6=CC=CC=C6Cl	YHXJVMSHLXOLLX-OUKQBFOZSA-N
DG62632	NSC704640	5470712	"3-[1-(1,3-benzothiazol-2-yl)-3-chloro-2-oxo-6-[(E)-2-thiophen-2-ylethenyl]-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid; NSC704640; CHEMBL1981577; NSC-704640"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704640	.	.	.	.	557.1	C24H17ClN4O4S3	168	1050	4.6	36	1	9	5	"InChI=1S/C24H17ClN4O4S3/c25-21-22(30)28(23-26-19-8-1-2-9-20(19)35-23)24(21)14-15(10-11-17-6-4-12-34-17)27-29(24)16-5-3-7-18(13-16)36(31,32)33/h1-13,21H,14H2,(H,31,32,33)/b11-10+"	C1C(=NN(C12C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=CC=C5)S(=O)(=O)O)/C=C/C6=CC=CS6	AWPPQDWOZLAEGU-ZHACJKMWSA-N
DG62633	NSC704641	5470713	"3-[1-(1,3-benzothiazol-2-yl)-3-chloro-2-oxo-6-[(1E,3E)-penta-1,3-dienyl]-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid; NSC704641; CHEMBL1998600; AKOS024279401; NSC-704641"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704641	.	.	.	.	515	C23H19ClN4O4S2	140	1010	4.3	34	1	8	5	"InChI=1S/C23H19ClN4O4S2/c1-2-3-4-8-15-14-23(28(26-15)16-9-7-10-17(13-16)34(30,31)32)20(24)21(29)27(23)22-25-18-11-5-6-12-19(18)33-22/h2-13,20H,14H2,1H3,(H,30,31,32)/b3-2+,8-4+"	C/C=C/C=C/C1=NN(C2(C1)C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=CC=C5)S(=O)(=O)O	PIRADKYJXAYBLE-CRBCFSCISA-N
DG62634	"3-[4-(1,3-benzothiazol-2-yl)-8-[(E)-4-methylpent-1-enyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid"	5470723	NSC704651; CHEMBL2002243; NSC-704651	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704651	.	.	.	.	528.7	C24H24N4O4S3	165	982	5	35	1	9	6	"InChI=1S/C24H24N4O4S3/c1-16(2)7-5-8-17-14-24(28(26-17)18-9-6-10-19(13-18)35(30,31)32)27(22(29)15-33-24)23-25-20-11-3-4-12-21(20)34-23/h3-6,8-13,16H,7,14-15H2,1-2H3,(H,30,31,32)/b8-5+"	CC(C)C/C=C/C1=NN(C2(C1)N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O	GPGNZNHYQCLSRN-VMPITWQZSA-N
DG62635	NSC704653	5470725	"3-[4-(1,3-benzothiazol-2-yl)-3-oxo-8-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid; NSC704653; CHEMBL1983512; NSC-704653"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704653	.	.	.	.	574.7	C28H22N4O4S3	165	1120	5.7	39	1	9	6	"InChI=1S/C28H22N4O4S3/c33-26-19-37-28(31(26)27-29-24-15-6-7-16-25(24)38-27)18-21(12-5-4-11-20-9-2-1-3-10-20)30-32(28)22-13-8-14-23(17-22)39(34,35)36/h1-17H,18-19H2,(H,34,35,36)/b11-4+,12-5+"	C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O)/C=C/C=C/C6=CC=CC=C6	ASXJIUKCYSKBQT-JLYPQOKGSA-N
DG62636	NSC704848	5470733	"1-(4-chlorophenyl)-3-[6-[2-[(4-chlorophenyl)carbamothioylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiourea; NSC704848; CHEMBL2002114; NSC-704848; NCI60_037448"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704848	.	.	.	.	695.7	C30H24Cl2N8S4	223	1060	7.8	44	4	8	5	"InChI=1S/C30H24Cl2N8S4/c31-17-1-5-19(6-2-17)35-29(41)37-27-23(13-33)21-9-11-39(15-25(21)43-27)40-12-10-22-24(14-34)28(44-26(22)16-40)38-30(42)36-20-7-3-18(32)4-8-20/h1-8H,9-12,15-16H2,(H2,35,37,41)(H2,36,38,42)"	C1CN(CC2=C1C(=C(S2)NC(=S)NC3=CC=C(C=C3)Cl)C#N)N4CCC5=C(C4)SC(=C5C#N)NC(=S)NC6=CC=C(C=C6)Cl	BJVWTTHAKOFKLZ-UHFFFAOYSA-N
DG62637	NSC704851	5470736	"1-Ethyl-3-[11-[3-(ethylcarbamothioylamino)-5-ethylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-11-yl]-5-ethylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-3-yl]thiourea; NSC704851; CHEMBL1967871; NSC-704851; NCI60_037451"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704851	.	.	.	.	705.1	C28H36N10S6	269	1410	3.1	44	4	10	7	"InChI=1S/C28H36N10S6/c1-5-29-25(39)33-21-19-15-9-11-37(13-17(15)41-23(19)35-27(43-21)31-7-3)38-12-10-16-18(14-38)42-24-20(16)22(34-26(40)30-6-2)44-28(36-24)32-8-4/h5-14H2,1-4H3,(H2,29,33,39)(H2,30,34,40)"	CCNC(=S)NC1=C2C3=C(CN(CC3)N4CCC5=C(C4)SC6=NC(=NCC)SC(=C56)NC(=S)NCC)SC2=NC(=NCC)S1	CHTHAUBYOYJQGY-UHFFFAOYSA-N
DG62638	NSC704853	5470738	"1-Benzyl-3-[11-[3-(benzylcarbamothioylamino)-5-benzylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-11-yl]-5-benzylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-3-yl]thiourea; NSC704853; CHEMBL1970408; NSC-704853; NCI60_037453"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704853	.	.	.	.	953.3	C48H44N10S6	269	1900	8	64	4	10	11	"InChI=1S/C48H44N10S6/c59-45(49-25-31-13-5-1-6-14-31)53-41-39-35-21-23-57(29-37(35)61-43(39)55-47(63-41)51-27-33-17-9-3-10-18-33)58-24-22-36-38(30-58)62-44-40(36)42(54-46(60)50-26-32-15-7-2-8-16-32)64-48(56-44)52-28-34-19-11-4-12-20-34/h1-20H,21-30H2,(H2,49,53,59)(H2,50,54,60)"	C1CN(CC2=C1C3=C(SC(=NCC4=CC=CC=C4)N=C3S2)NC(=S)NCC5=CC=CC=C5)N6CCC7=C(C6)SC8=NC(=NCC9=CC=CC=C9)SC(=C78)NC(=S)NCC1=CC=CC=C1	YNPQFPYHNFIILQ-UHFFFAOYSA-N
DG62639	"diethyl (Z)-2-[3-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]but-2-enedioate"	5470763	NSC704883; CHEMBL1973245; NSC-704883	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704883	.	.	.	.	437.4	C18H23N5O8	137	863	1	31	1	10	10	"InChI=1S/C18H23N5O8/c1-4-29-15(25)7-12(17(27)30-5-2)23-16(26)10(3)8-22(18(23)28)14-6-11(20-21-19)13(9-24)31-14/h7-8,11,13-14,24H,4-6,9H2,1-3H3/b12-7-"	CCOC(=O)/C=C(/C(=O)OCC)\\N1C(=O)C(=CN(C1=O)C2CC(C(O2)CO)N=[N+]=[N-])C	GFLQJWYHRKDFSF-GHXNOFRVSA-N
DG62640	"2-[(2,4-Dioxo-3-propargyl-5-iodo-1,2,3,4-tetrahydropyrimidine)-1-yl]maleic acid diethyl ester"	5470765	"NSC704885; CHEMBL1967011; NSC-704885; 2-[(2,4-Dioxo-3-propargyl-5-iodo-1,2,3,4-tetrahydropyrimidine)-1-yl]maleic acid diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704885	.	.	.	.	446.19	C15H15IN2O6	93.2	673	1	24	0	6	8	"InChI=1S/C15H15IN2O6/c1-4-7-17-13(20)10(16)9-18(15(17)22)11(14(21)24-6-3)8-12(19)23-5-2/h1,8-9H,5-7H2,2-3H3/b11-8+"	CCOC(=O)/C=C(\\C(=O)OCC)/N1C=C(C(=O)N(C1=O)CC#C)I	FNLWEUUYSUQORI-DHZHZOJOSA-N
DG62641	"2-[(2,4-Dioxo-3-propargyl-5-chloro-1,2,3,4-tetrahydropyrimidine)-1-yl]maleic acid diethyl ester"	5470766	"NSC704886; CHEMBL1989808; NSC-704886; 2-[(2,4-Dioxo-3-propargyl-5-chloro-1,2,3,4-tetrahydropyrimidine)-1-yl]maleic acid diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704886	.	.	.	.	354.74	C15H15ClN2O6	93.2	673	1.1	24	0	6	8	"InChI=1S/C15H15ClN2O6/c1-4-7-17-13(20)10(16)9-18(15(17)22)11(14(21)24-6-3)8-12(19)23-5-2/h1,8-9H,5-7H2,2-3H3/b11-8+"	CCOC(=O)/C=C(\\C(=O)OCC)/N1C=C(C(=O)N(C1=O)CC#C)Cl	RSJAYDGPRDQPMW-DHZHZOJOSA-N
DG62642	"Maleic acid,4-dioxo-1H,3H-pyrimidinyl]-, diethyl ester"	5470767	"NSC704887; CHEMBL1987921; NSC-704887; Maleic acid,4-dioxo- 1H,3H-pyrimidinyl]-, diethyl ester; 2-Butenedioic acid,4-dioxo-1H,3H-pyrimidinyl]-, diethyl ester, (2Z)-; 2-[(2,4-Dioxo-3-(ethoxycarbonylmethyl)-5-chloro-1,2,3,4-tetrahydropyrimidine)-1-yl]fumaric acid diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704887	.	.	.	.	402.8	C16H19ClN2O8	120	701	1.3	27	0	8	11	"InChI=1S/C16H19ClN2O8/c1-4-25-12(20)7-11(15(23)27-6-3)18-8-10(17)14(22)19(16(18)24)9-13(21)26-5-2/h7-8H,4-6,9H2,1-3H3/b11-7-"	CCOC(=O)CN1C(=O)C(=CN(C1=O)/C(=C\\C(=O)OCC)/C(=O)OCC)Cl	BOMIWOJHWUDZFZ-XFFZJAGNSA-N
DG62643	"Fumaric acid,4-dioxo-1H,3H-pyrimidinyl]-, diethyl ester"	5470768	"CHEMBL1974678; NSC704888; NSC-704888; Fumaric acid,4-dioxo- 1H,3H-pyrimidinyl]-, diethyl ester; 2-Butenedioic acid,4-dioxo-1H,3H-pyrimidinyl]-, diethyl ester, (2E)-; 2-[(2,4-Dioxo-3-(ethoxycarbonylmethyl)-5-chloro-1,2,3,4-tetrahydropyrimidine)-1-yl]maleic acid diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704888	.	.	.	.	402.8	C16H19ClN2O8	120	701	1.3	27	0	8	11	"InChI=1S/C16H19ClN2O8/c1-4-25-12(20)7-11(15(23)27-6-3)18-8-10(17)14(22)19(16(18)24)9-13(21)26-5-2/h7-8H,4-6,9H2,1-3H3/b11-7+"	CCOC(=O)CN1C(=O)C(=CN(C1=O)/C(=C/C(=O)OCC)/C(=O)OCC)Cl	BOMIWOJHWUDZFZ-YRNVUSSQSA-N
DG62644	4-amino-1-[(Z)-2-diethoxyphosphorylvinyl]pyrimidin-2-one	5470774	CHEMBL1995709; NSC704894; NSC-704894; 4-amino-1-[(Z)-2-diethoxyphosphorylvinyl]pyrimidin-2-one; [(Z)-2-(4-Amino-2-oxo-2H-pyrimidin-1-yl)-vinyl]-phosphonic acid diethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704894	.	.	.	.	273.23	C10H16N3O4P	94.2	434	-1.1	18	1	4	6	"InChI=1S/C10H16N3O4P/c1-3-16-18(15,17-4-2)8-7-13-6-5-9(11)12-10(13)14/h5-8H,3-4H2,1-2H3,(H2,11,12,14)/b8-7-"	CCOP(=O)(/C=C\\N1C=CC(=NC1=O)N)OCC	YOLNCEADVZJJAP-FPLPWBNLSA-N
DG62645	NSC704969	5470782	"(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]-N-methylpyrrolidine-2-carboxamide; NSC704969; CHEMBL1981388; NSC-704969; NCI60_037512"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704969	.	.	.	.	841.1	C48H68N6O7	141	1390	7	61	2	8	20	"InChI=1S/C48H68N6O7/c1-31(2)41(50-45(56)42(32(3)4)53(29-35-19-14-12-15-20-35)30-36-21-16-13-17-22-36)47(58)52(9)43(33(5)6)48(59)54-26-18-23-38(54)46(57)51(8)34(7)44(55)49-28-37-24-25-39(60-10)40(27-37)61-11/h12-17,19-22,24-25,27,31-34,38,41-43H,18,23,26,28-30H2,1-11H3,(H,49,55)(H,50,56)/t34-,38+,41+,42+,43+/m1/s1"	C[C@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(CC3=CC=CC=C3)CC4=CC=CC=C4	JQBPYGLCDHSEEV-DRBWZFHRSA-N
DG62646	1-Hydroxy-2-butenylphosphonic acid dimethyl ester	5470785	NSC705128; CHEMBL1997731; NSC-705128; 1-Hydroxy-2-butenylphosphonic acid dimethyl ester; [(E)-1-Hydroxy-2-butenyl]phosphonic acid dimethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705128	.	.	.	.	180.14	C6H13O4P	55.8	169	-0.2	11	1	4	4	"InChI=1S/C6H13O4P/c1-4-5-6(7)11(8,9-2)10-3/h4-7H,1-3H3/b5-4+"	C/C=C/C(O)P(=O)(OC)OC	ZTFCKDGCKRVFED-SNAWJCMRSA-N
DG62647	"(E)-1-[(4R,5R)-1,3-dibenzyl-2-oxo-4,5-diphenyl-1,3,2lambda5-diazaphospholidin-2-yl]-3-phenylprop-2-en-1-ol"	5470796	NSC705149; CHEMBL1986202; NSC-705149	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705149	.	.	.	.	570.7	C37H35N2O2P	43.8	826	7.2	42	1	4	9	"InChI=1S/C37H35N2O2P/c40-35(27-26-30-16-6-1-7-17-30)42(41)38(28-31-18-8-2-9-19-31)36(33-22-12-4-13-23-33)37(34-24-14-5-15-25-34)39(42)29-32-20-10-3-11-21-32/h1-27,35-37,40H,28-29H2/b27-26+/t35 ,36-,37-/m1/s1"	C1=CC=C(C=C1)CN2[C@@H]([C@H](N(P2(=O)C(/C=C/C3=CC=CC=C3)O)CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6	HQXVTGDUFBXCFS-VNOLPKDCSA-N
DG62648	NSC705289	5470804	"tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate; NSC705289; CHEMBL1989563; NSC-705289"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705289	.	.	.	.	565	C27H29ClO11	152	1060	3.1	39	1	11	12	"InChI=1S/C27H29ClO11/c1-13-12-16-18(23(30)35-2)22(39-17(29)11-8-14-6-9-15(28)10-7-14)21(26(33)38-5)27(34,19(13)24(31)36-3)20(16)25(32)37-4/h6-11,13,16,19-21,34H,12H2,1-5H3/b11-8+/t13-,16+,19-,20-,21 ,27-/m1/s1"	C[C@@H]1C[C@@H]2[C@@H]([C@]([C@H]1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)/C=C/C3=CC=C(C=C3)Cl)C(=O)OC)O)C(=O)OC	YDJUPAGULNDVMA-VNXAYRSNSA-N
DG62649	NSC705290	5470805	"tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(2,6-difluorophenyl)-2-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate; NSC705290; CHEMBL2003362; NSC-705290"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705290	.	.	.	.	642.6	C33H32F2O11	152	1260	4.3	46	1	13	13	"InChI=1S/C33H32F2O11/c1-16-14-20-23(29(37)42-2)27(26(32(40)45-5)33(41,24(16)30(38)43-3)25(20)31(39)44-4)46-28(36)18(17-10-7-6-8-11-17)15-19-21(34)12-9-13-22(19)35/h6-13,15-16,20,24-26,41H,14H2,1-5H3/b18-15+/t16-,20+,24-,25-,26 ,33-/m1/s1"	C[C@@H]1C[C@@H]2[C@@H]([C@]([C@H]1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)/C(=C/C3=C(C=CC=C3F)F)/C4=CC=CC=C4)C(=O)OC)O)C(=O)OC	QZLTYRJCLFSBKK-PEPBNREGSA-N
DG62650	NSC705291	5470806	"tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate; NSC705291; CHEMBL1973476; NSC-705291"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705291	.	.	.	.	627	C32H31ClO11	152	1180	4	44	1	11	13	"InChI=1S/C32H31ClO11/c1-40-28(35)23-21-16-20(18-8-6-5-7-9-18)24(29(36)41-2)32(39,25(21)30(37)42-3)26(31(38)43-4)27(23)44-22(34)15-12-17-10-13-19(33)14-11-17/h5-15,20-21,24-26,39H,16H2,1-4H3/b15-12+/t20-,21-,24+,25+,26 ,32+/m0/s1"	COC(=O)[C@H]1[C@@H](C[C@@H]2[C@@H]([C@]1(C(C(=C2C(=O)OC)OC(=O)/C=C/C3=CC=C(C=C3)Cl)C(=O)OC)O)C(=O)OC)C4=CC=CC=C4	RHNSIKHBGRFOHZ-OBQGSNGKSA-N
DG62651	NSC705292	5470807	"tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate; NSC705292; CHEMBL1989907; NSC-705292"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705292	.	.	.	.	737.6	C38H34Cl2O11	152	1390	6.3	51	1	11	14	"InChI=1S/C38H34Cl2O11/c1-47-34(42)28-27-19-25(21-8-6-5-7-9-21)29(35(43)48-2)38(46,30(27)36(44)49-3)31(37(45)50-4)32(28)51-33(41)26(22-12-16-24(40)17-13-22)18-20-10-14-23(39)15-11-20/h5-18,25,27,29-31,46H,19H2,1-4H3/b26-18+/t25-,27-,29+,30+,31 ,38+/m0/s1"	COC(=O)[C@H]1[C@@H](C[C@@H]2[C@@H]([C@]1(C(C(=C2C(=O)OC)OC(=O)/C(=C/C3=CC=C(C=C3)Cl)/C4=CC=C(C=C4)Cl)C(=O)OC)O)C(=O)OC)C5=CC=CC=C5	FNJKZPRXBACYDJ-MPSIXJMJSA-N
DG62652	"(Z)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butyl-3-phenylsulfanylprop-2-enamide"	5470808	NSC705327; CHEMBL1993144; ZINC31904806; NSC-705327	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705327	.	.	.	.	369.5	C21H23NO3S	64.099	496	4.3	26	0	4	6	"InChI=1S/C21H23NO3S/c1-21(2,3)22(14-16-9-10-18-19(13-16)25-15-24-18)20(23)11-12-26-17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3/b12-11-"	CC(C)(C)N(CC1=CC2=C(C=C1)OCO2)C(=O)/C=C\\SC3=CC=CC=C3	OHHVAYUTUCSMON-QXMHVHEDSA-N
DG62653	(3Z)-1-tert-butyl-4-[hydroxy(phenyl)methyl]-4-methyl-3-(phenylsulfanylmethylidene)pyrrolidin-2-one	5470809	NSC705328; CHEMBL1997358; NSC-705328	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705328	.	.	.	.	381.5	C23H27NO2S	65.8	555	4.2	27	1	3	5	"InChI=1S/C23H27NO2S/c1-22(2,3)24-16-23(4,20(25)17-11-7-5-8-12-17)19(21(24)26)15-27-18-13-9-6-10-14-18/h5-15,20,25H,16H2,1-4H3/b19-15+"	CC\\1(CN(C(=O)/C1=C\\SC2=CC=CC=C2)C(C)(C)C)C(C3=CC=CC=C3)O	NUQXMWRGUPTMEM-XDJHFCHBSA-N
DG62654	"(Z)-3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide"	5470811	MLS002702474; NSC705330; CHEMBL1721382; NSC-705330; SMR001566035; 207350-09-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705330	.	.	.	.	385.5	C21H23NO4S	75	565	3	27	0	5	6	"InChI=1S/C21H23NO4S/c1-21(2,3)22(14-16-9-10-18-19(13-16)26-15-25-18)20(23)11-12-27(24)17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3/b12-11-"	CC(C)(C)N(CC1=CC2=C(C=C1)OCO2)C(=O)/C=C\\S(=O)C3=CC=CC=C3	ONNGZSNFZVBIIU-QXMHVHEDSA-N
DG62655	"2-Propenamide,1-dimethylethyl)-N-(phenylmethyl)-3-(phenylsulfinyl)-, (2Z)-"	5470812	"NSC705331; CHEMBL2001214; NSC-705331; 2-Propenamide,1-dimethylethyl)-N-(phenylmethyl)- 3-(phenylsulfinyl)-, (2Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705331	.	.	.	.	341.5	C20H23NO2S	56.6	455	3.2	24	0	3	6	"InChI=1S/C20H23NO2S/c1-20(2,3)21(16-17-10-6-4-7-11-17)19(22)14-15-24(23)18-12-8-5-9-13-18/h4-15H,16H2,1-3H3/b15-14-"	CC(C)(C)N(CC1=CC=CC=C1)C(=O)/C=C\\S(=O)C2=CC=CC=C2	ADHHICUYPKOBSF-PFONDFGASA-N
DG62656	(Z)-N-tert-butyl-2-phenyl-3-phenylsulfanylprop-2-enamide	5470813	NSC705332; CHEMBL1992225; NSC-705332	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705332	.	.	.	.	311.4	C19H21NOS	54.4	385	4.5	22	1	2	5	"InChI=1S/C19H21NOS/c1-19(2,3)20-18(21)17(15-10-6-4-7-11-15)14-22-16-12-8-5-9-13-16/h4-14H,1-3H3,(H,20,21)/b17-14-"	CC(C)(C)NC(=O)/C(=C\\SC1=CC=CC=C1)/C2=CC=CC=C2	APHOPDRCFGKIKO-VKAVYKQESA-N
DG62657	"(4Z)-2-tert-butyl-5,7-dimethoxy-4-(phenylsulfanylmethylidene)-1H-isoquinolin-3-one"	5470814	NSC705333; CHEMBL2007481; NSC-705333	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705333	.	.	.	.	383.5	C22H25NO3S	64.099	550	4.2	27	0	4	5	"InChI=1S/C22H25NO3S/c1-22(2,3)23-13-15-11-16(25-4)12-19(26-5)20(15)18(21(23)24)14-27-17-9-7-6-8-10-17/h6-12,14H,13H2,1-5H3/b18-14-"	CC(C)(C)N1CC2=C(C(=CC(=C2)OC)OC)/C(=C/SC3=CC=CC=C3)/C1=O	BTVJZKDAGKMZLM-JXAWBTAJSA-N
DG62658	"2-tert-Butyl-4-(phenylthiomethylene)-1,2-dihydroisoquinoline-3(4H)-one"	5470815	"NSC705334; CHEMBL1999051; NSC-705334; 2-tert-Butyl-4-(phenylthiomethylene)-1,2-dihydroisoquinoline-3(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705334	.	.	.	.	323.5	C20H21NOS	45.6	459	4.2	23	0	2	3	"InChI=1S/C20H21NOS/c1-20(2,3)21-13-15-9-7-8-12-17(15)18(19(21)22)14-23-16-10-5-4-6-11-16/h4-12,14H,13H2,1-3H3/b18-14-"	CC(C)(C)N1CC2=CC=CC=C2/C(=C/SC3=CC=CC=C3)/C1=O	XFARBOFICGJUQV-JXAWBTAJSA-N
DG62659	(Z)-N-tert-butyl-N-[(3-methoxyphenyl)methyl]-3-phenylsulfanylprop-2-enamide	5470816	NSC705335; CHEMBL1997037; ZINC31904817; NSC-705335	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705335	.	.	.	.	355.5	C21H25NO2S	54.8	438	4.5	25	0	3	7	"InChI=1S/C21H25NO2S/c1-21(2,3)22(16-17-9-8-10-18(15-17)24-4)20(23)13-14-25-19-11-6-5-7-12-19/h5-15H,16H2,1-4H3/b14-13-"	CC(C)(C)N(CC1=CC(=CC=C1)OC)C(=O)/C=C\\SC2=CC=CC=C2	QWWPYRCDGPXHHY-YPKPFQOOSA-N
DG62660	(Z)-N-tert-butyl-N-[(Z)-2-methyl-3-phenylprop-2-enyl]-3-phenylsulfanylprop-2-enamide	5470817	NSC705336; CHEMBL1983089; NSC-705336	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705336	.	.	.	.	365.5	C23H27NOS	45.6	491	5.8	26	0	2	7	"InChI=1S/C23H27NOS/c1-19(17-20-11-7-5-8-12-20)18-24(23(2,3)4)22(25)15-16-26-21-13-9-6-10-14-21/h5-17H,18H2,1-4H3/b16-15-,19-17-"	C/C(=C/C1=CC=CC=C1)/CN(C(=O)/C=C\\SC2=CC=CC=C2)C(C)(C)C	BVONSTCKJWVGQA-RKXLPSGMSA-N
DG62661	"1,7-Bis(4-hydroxy-3,5-dimethoxyphenyl)-1,6-heptadiene-3,5-dione"	5470820	"NSC705584; 1,7-Bis(4-hydroxy-3,5-dimethoxyphenyl)-1,6-heptadiene-3,5-dione; CHEMBL1989776; SCHEMBL13237036; NSC-705584; (1E,6E)-1,7-bis(4-hydroxy-3,5-dimethoxy-phenyl)hepta-1,6-diene-3,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705584	.	.	.	.	428.4	C23H24O8	112	564	3.1	31	2	8	10	"InChI=1S/C23H24O8/c1-28-18-9-14(10-19(29-2)22(18)26)5-7-16(24)13-17(25)8-6-15-11-20(30-3)23(27)21(12-15)31-4/h5-12,26-27H,13H2,1-4H3/b7-5+,8-6+"	COC1=CC(=CC(=C1O)OC)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C(=C2)OC)O)OC	POWBSRUMKJEPOH-KQQUZDAGSA-N
DG62662	"6-hexyl-7-hydroxy-3-(imidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one"	5470855	"6-hexyl-7-hydroxy-3-(imidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one; 298208-23-8; 6-hexyl-7-hydroxy-3-{imidazo[1,2-a]pyridin-2-yl}-2H-chromen-2-one; NSC705895; CHEMBL1969592; SCHEMBL15477233; ZINC1863797; STL513065; AKOS001028658; MCULE-4708380013; NSC-705895; NCI60_037727; UPCMLD0ENAT0500-0949:001; SR-01000408108; SR-01000408108-1; Z56758314; 6-hexyl-7-hydroxy-3-imidazo[1,2-a]pyridin-2-yl-2H-chromen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705895	.	.	.	.	362.4	C22H22N2O3	63.8	564	6	27	1	4	6	"InChI=1S/C22H22N2O3/c1-2-3-4-5-8-15-11-16-12-17(22(26)27-20(16)13-19(15)25)18-14-24-10-7-6-9-21(24)23-18/h6-7,9-14,25H,2-5,8H2,1H3"	CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CN4C=CC=CC4=N3)O	GYNSVGHBPJEPRB-UHFFFAOYSA-N
DG62663	"6-hexyl-7-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-yl)-2H-chromen-2-one"	5470856	"NSC705896; CHEMBL2005592; ZINC1863800; STL141036; AKOS005746823; MCULE-6117251145; NSC-705896; NCI60_037728; 6-hexyl-7-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-yl)-2H-chromen-2-one; 6-hexyl-7-hydroxy-3-(imidazo[2,1-b]thiazol-6-yl)-2H-chromen-2-one; 182283-65-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705896	.	.	.	.	368.5	C20H20N2O3S	92.1	555	6.1	26	1	5	6	"InChI=1S/C20H20N2O3S/c1-2-3-4-5-6-13-9-14-10-15(19(24)25-18(14)11-17(13)23)16-12-22-7-8-26-20(22)21-16/h7-12,23H,2-6H2,1H3"	CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CN4C=CSC4=N3)O	XDNHQDLQOFFCCW-UHFFFAOYSA-N
DG62664	"2-[1-[(Z)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile"	5470857	NSC705928; CHEMBL2005880; ZINC6009966; NSC-705928	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705928	.	.	.	.	443.9	C25H18ClN3O3	86.4	907	5.3	32	0	6	6	"InChI=1S/C25H18ClN3O3/c1-31-23-11-6-17(14-24(23)32-2)13-22(25(30)18-7-9-20(26)10-8-18)29-12-4-3-5-21(29)19(15-27)16-28/h3-14H,1-2H3/b22-13-"	COC1=C(C=C(C=C1)/C=C(/C(=O)C2=CC=C(C=C2)Cl)\\N3C=CC=CC3=C(C#N)C#N)OC	YFWRGMFYNJSRPJ-XKZIYDEJSA-N
DG62665	"1-Phenyl-8-[2-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one"	5470860	NSC705935; CHEMBL1972138; NSC-705935; NCI60_037746	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705935	.	.	.	.	407.5	C22H25N5OS	91.7	629	2.8	29	3	4	4	"InChI=1S/C22H25N5OS/c28-20-22(27(15-23-20)17-4-2-1-3-5-17)9-12-26(13-10-22)11-8-16-6-7-18-19(14-16)25-21(29)24-18/h1-7,14H,8-13,15H2,(H,23,28)(H2,24,25,29)"	C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCC4=CC5=C(C=C4)NC(=S)N5	KRDLZDUIJZBOCM-UHFFFAOYSA-N
DG62666	"5-[2-[4-[Bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazole-2-thione"	5470861	NSC705936; CHEMBL1985697; NSC-705936; NCI60_037747	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705936	.	.	.	.	461.6	C27H25F2N3S	59.4	678	5.8	33	2	4	5	"InChI=1S/C27H25F2N3S/c28-22-6-2-19(3-7-22)26(20-4-8-23(29)9-5-20)21-12-15-32(16-13-21)14-11-18-1-10-24-25(17-18)31-27(33)30-24/h1-10,17H,11-16H2,(H2,30,31,33)"	C1CN(CCC1=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CCC4=CC5=C(C=C4)NC(=S)N5	JACBHJSHCJVLPK-UHFFFAOYSA-N
DG62667	NSC705973	5470863	"11-[(5E,7E,13E,19E,25S,29S)-29-hydroxy-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxododecanoic acid; NSC705973; CHEMBL1985951; NSC-705973; 10,7,13,19,28-pentaene-11-undecanoic acid, 29-hydroxy-.gamma.,.iota.,3,15,17,21,23-heptamethoxy- .delta.,.theta.,.kappa.,5,12,18,24-heptamethyl- .epsilon.,9,27-trioxo-, (29S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705973	.	.	.	.	949.2	C52H84O15	192	1670	6	67	2	15	18	"InChI=1S/C52H84O15/c1-31-16-15-17-47(56)66-51(37(7)50(65-14)33(3)20-23-42(53)35(5)43(62-11)24-25-46(54)55)34(4)19-22-39(59-8)29-44(63-12)32(2)18-21-40(60-9)30-45(64-13)36(6)52-49(58)38(28-48(57)67-52)27-41(26-31)61-10/h15-19,21-22,28,32-37,39-41,43-45,49-52,58H,20,23-27,29-30H2,1-14H3,(H,54,55)/b17-15+,21-18+,22-19+,31-16+/t32 ,33 ,34 ,35 ,36 ,37 ,39 ,40 ,41 ,43 ,44 ,45 ,49-,50 ,51 ,52-/m0/s1"	CC1/C=C/C(CC(C([C@H]2[C@H](C(=CC(=O)O2)CC(C/C(=C/C=C/C(=O)OC(C(/C=C/C(CC1OC)OC)C)C(C)C(C(C)CCC(=O)C(C)C(CCC(=O)O)OC)OC)/C)OC)O)C)OC)OC	BTCBWTQHGCKHEF-KWPBQSASSA-N
DG62668	NSC706010	5470866	"(7E)-5-ethyl-2-phenyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine; MLS002702477; NSC706010; CHEMBL1906315; NSC-706010; SMR001566038"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706010	.	.	.	.	573.7	C33H39N3O6	74.2	898	5.3	42	0	9	10	"InChI=1S/C33H39N3O6/c1-8-35-19-23(14-21-15-26(37-2)32(41-6)27(16-21)38-3)30-25(20-35)31(36(34-30)24-12-10-9-11-13-24)22-17-28(39-4)33(42-7)29(18-22)40-5/h9-18,25,31H,8,19-20H2,1-7H3/b23-14+"	CCN1CC2C(N(N=C2/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/C1)C4=CC=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC	DCZQYXXNARKPSE-OEAKJJBVSA-N
DG62669	NSC706012	5470868	"(8E)-6-ethyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-3,4,5,7-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione; NSC706012; CHEMBL1969595; NSC-706012"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706012	.	.	.	.	541.7	C28H35N3O6S	115	857	2.7	38	2	8	9	"InChI=1S/C28H35N3O6S/c1-8-31-14-18(9-16-10-20(32-2)26(36-6)21(11-16)33-3)25-19(15-31)24(29-28(38)30-25)17-12-22(34-4)27(37-7)23(13-17)35-5/h9-13,24H,8,14-15H2,1-7H3,(H2,29,30,38)/b18-9+"	CCN1C/C(=C\\C2=CC(=C(C(=C2)OC)OC)OC)/C3=C(C1)C(NC(=S)N3)C4=CC(=C(C(=C4)OC)OC)OC	VOPZVJNXHVVVFM-GIJQJNRQSA-N
DG62670	NSC706013	5470869	"(5Z,13E)-8-(4-chlorophenyl)-5,13-bis[(4-chlorophenyl)methylidene]-11-ethyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-dien-6-one; NSC706013; CHEMBL1965865; NSC-706013"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706013	.	.	.	.	593	C31H24Cl3N3OS	61.2	1060	7.3	39	0	4	4	"InChI=1S/C31H24Cl3N3OS/c1-2-36-17-22(15-19-3-9-23(32)10-4-19)28-26(18-36)29(21-7-13-25(34)14-8-21)37-30(38)27(39-31(37)35-28)16-20-5-11-24(33)12-6-20/h3-16,29H,2,17-18H2,1H3/b22-15+,27-16-"	CCN1C/C(=C\\C2=CC=C(C=C2)Cl)/C3=C(C1)C(N4C(=O)/C(=C/C5=CC=C(C=C5)Cl)/SC4=N3)C6=CC=C(C=C6)Cl	GYGZRRGYBJLWRY-ZPSQPZCQSA-N
DG62671	"16-(3',5'-trimethoxybenzylidene)-17a-aza-D-homo-4-androsten-3,17-dione"	5470872	"NSC706017; CHEMBL1993836; NSC-706017; 16-(3',5'-trimethoxybenzylidene)-17a-aza-D-homo-4-androsten-3,17-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706017	.	.	.	.	479.6	C29H37NO5	73.9	912	4.2	35	1	5	4	"InChI=1S/C29H37NO5/c1-28-10-8-20(31)16-19(28)6-7-21-22(28)9-11-29(2)23(21)15-18(27(32)30-29)12-17-13-24(33-3)26(35-5)25(14-17)34-4/h12-14,16,21-23H,6-11,15H2,1-5H3,(H,30,32)/b18-12-/t21-,22+,23+,28+,29+/m1/s1"	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C/C5=CC(=C(C(=C5)OC)OC)OC)/C(=O)N4)C	HBUNJMUOWZSZQA-LFHWRNOPSA-N
DG62672	NSC706018	5470873	"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-dimethyl-3-pyrrolidin-1-yl-16-[(3,4,5-trimethoxyphenyl)methylidene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol; MLS002702478; NSC706018; CHEMBL1722807; NSC-706018; SMR001566039; 3.beta.-pyrrolidino-16-(3',5'-trimethoxybenzylidene)-5-androsten-17.beta.-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706018	.	.	.	.	521.7	C33H47NO4	51.2	912	5.8	38	1	5	5	"InChI=1S/C33H47NO4/c1-32-12-10-24(34-14-6-7-15-34)20-23(32)8-9-25-26(32)11-13-33(2)27(25)19-22(31(33)35)16-21-17-28(36-3)30(38-5)29(18-21)37-4/h8,16-18,24-27,31,35H,6-7,9-15,19-20H2,1-5H3/b22-16+/t24-,25+,26-,27-,31-,32-,33-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\\C5=CC(=C(C(=C5)OC)OC)OC)/[C@@H]4O)C)N6CCCC6	SREDURSYPQFHFS-QWXPEDGLSA-N
DG62673	"17-Oxo-3-pyrrolidino-16-(3',5'-trimethoxybenzylidene)-3,5-androstadiene"	5470874	"NSC706019; CHEMBL1978109; NSC-706019; 17-oxo-3-pyrrolidino-16-(3',5'-trimethoxybenzylidene)-3,5-androstadiene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706019	.	.	.	.	517.7	C33H43NO4	48	1010	6.4	38	0	5	5	"InChI=1S/C33H43NO4/c1-32-12-10-24(34-14-6-7-15-34)20-23(32)8-9-25-26(32)11-13-33(2)27(25)19-22(31(33)35)16-21-17-28(36-3)30(38-5)29(18-21)37-4/h8,16-18,20,25-27H,6-7,9-15,19H2,1-5H3/b22-16+/t25-,26+,27+,32+,33+/m1/s1"	C[C@]12CCC(=CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\\C5=CC(=C(C(=C5)OC)OC)OC)/C4=O)C)N6CCCC6	IGMOYTAAOAZHOA-UATAJNHUSA-N
DG62674	"dimethyl (7Z)-3,6,9,12,19,20-hexathiatetracyclo[12.2.2.14,7.18,11]icosa-1(17),4,7,10,14(18),15-hexaene-5,10-dicarboxylate"	5470903	NSC706168; NSC-706168	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706168	.	.	.	.	486.7	C18H14O4S6	204	715	5.2	28	0	10	4	"InChI=1S/C18H14O4S6/c1-21-13(19)11-15-23-7-9-3-5-10(6-4-9)8-24-16-12(14(20)22-2)26-18(28-16)17(25-11)27-15/h3-6H,7-8H2,1-2H3/b18-17-"	COC(=O)C1=C2SCC3=CC=C(CSC4=C(S/C(=C(\\S1)/S2)/S4)C(=O)OC)C=C3	CLDVCZLYYIWDSV-ZCXUNETKSA-N
DG62675	"(8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylene]-6-methyl-4,4a,5,7-tetrahydro-3H-pyrido[4,3-d]pyrimidine-2-thione"	5470907	"NSC706203; CHEMBL1984220; NSC-706203; (8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylene]-6-methyl-4,4a,5,7-tetrahydro-3H-pyrido[4,3-d]pyrimidine-2-thione; 8-(4-Methoxybenzylidene)-4-(4-methoxyphenyl)-6-methyl-4,4a,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine-2(3H)-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706203	.	.	.	.	407.5	C23H25N3O2S	78.2	649	3.2	29	1	4	4	"InChI=1S/C23H25N3O2S/c1-26-13-17(12-15-4-8-18(27-2)9-5-15)22-20(14-26)21(24-23(29)25-22)16-6-10-19(28-3)11-7-16/h4-12,20-21H,13-14H2,1-3H3,(H,24,29)/b17-12+"	CN1CC2C(NC(=S)N=C2/C(=C/C3=CC=C(C=C3)OC)/C1)C4=CC=C(C=C4)OC	MHDJXWPTXRZFFJ-SFQUDFHCSA-N
DG62676	"(7E)-5-methyl-2-phenyl-3-(2-thienyl)-7-(2-thienylmethylene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine"	5470914	"NSC706211; CHEMBL316846; NSC-706211; (7E)-2-Phenyl-3-(2-thienyl)-5-methyl-7-(2-thienylmethylene)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine; (7E)-5-methyl-2-phenyl-3-(2-thienyl)-7-(2-thienylmethylene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine; 2-Phenyl-3-(2-thienyl)-5-methyl-7-(2-thienylidene)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706211	.	.	.	.	391.6	C22H21N3S2	75.3	598	4.5	27	0	5	3	"InChI=1S/C22H21N3S2/c1-24-14-16(13-18-9-5-11-26-18)21-19(15-24)22(20-10-6-12-27-20)25(23-21)17-7-3-2-4-8-17/h2-13,19,22H,14-15H2,1H3/b16-13+"	CN1CC2C(N(N=C2/C(=C/C3=CC=CS3)/C1)C4=CC=CC=C4)C5=CC=CS5	CXSQILIHTWRLFQ-DTQAZKPQSA-N
DG62677	"6-Methyl-4-(2-thienyl)-8-(2-thienylmethylene)-4,4a,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine-2(3H)-thione"	5470915	"NSC706212; CHEMBL1966474; NSC-706212; (8E)-6-methyl-4-(2-thienyl)-8-(2-thienylmethylene)-4,4a,5,7-tetrahydro-3H-pyrido[4,3-d]pyrimidine-2-thione; 6-Methyl-4-(2-thienyl)-8-(2-thienylmethylene)-4,4a,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine-2(3H)-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706212	.	.	.	.	359.5	C17H17N3S3	116	545	2.7	23	1	4	2	"InChI=1S/C17H17N3S3/c1-20-9-11(8-12-4-2-6-22-12)15-13(10-20)16(19-17(21)18-15)14-5-3-7-23-14/h2-8,13,16H,9-10H2,1H3,(H,19,21)/b11-8+"	CN1CC2C(NC(=S)N=C2/C(=C/C3=CC=CS3)/C1)C4=CC=CS4	FMDRPUQOKDUQEP-DHZHZOJOSA-N
DG62678	"(8E)-2-amino-6-methyl-4-(2-thienyl)-8-(2-thienylmethylene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile"	5470916	"NSC706213; CHEMBL319097; AKOS003683432; NSC-706213; (8E)-2-Amino-4-(2-thienyl)-6-methyl-8-(2-thienylmethylene)-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile; (8E)-2-amino-6-methyl-4-(2-thienyl)-8-(2-thienylmethylene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile; 2-Amino-3-cyano-4-(2-thienyl)-6-methyl-8-(2-thienylidene)-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706213	.	.	.	.	367.5	C19H17N3OS2	119	703	2.5	25	1	6	2	"InChI=1S/C19H17N3OS2/c1-22-10-12(8-13-4-2-6-24-13)18-15(11-22)17(16-5-3-7-25-16)14(9-20)19(21)23-18/h2-8,17H,10-11,21H2,1H3/b12-8+"	CN1C/C(=C\\C2=CC=CS2)/C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=CS4	HICPRZRMTPGVDW-XYOKQWHBSA-N
DG62679	"(7E)-2,5-dimethyl-3-(2-thienyl)-7-(2-thienylmethylene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine"	5470920	"NSC706217; CHEMBL98841; NSC-706217; (7E)-2,5-Dimethyl-3-(2-thienyl)-7-(2-thienylmethylene)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine; (7E)-2,5-dimethyl-3-(2-thienyl)-7-(2-thienylmethylene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine; 2-Methyl-3-(2-thienyl)-5-methyl-7-(2-thienylidene)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706217	.	.	.	.	329.5	C17H19N3S2	75.3	490	3	22	0	5	2	"InChI=1S/C17H19N3S2/c1-19-10-12(9-13-5-3-7-21-13)16-14(11-19)17(20(2)18-16)15-6-4-8-22-15/h3-9,14,17H,10-11H2,1-2H3/b12-9+"	CN1CC2C(N(N=C2/C(=C/C3=CC=CS3)/C1)C)C4=CC=CS4	IGQWEABOPCBVFJ-FMIVXFBMSA-N
DG62680	"9-Chloro-12,13-dimethoxy-6-phenyl-2,10-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,9,11(15),12-heptaen-3-one"	5470922	NSC706236; CHEMBL1968188; NSC-706236; NCI60_037901	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706236	.	.	.	.	390.8	C22H15ClN2O3	60.4	598	4.9	28	1	4	3	"InChI=1S/C22H15ClN2O3/c1-27-16-10-15-18-17-13(21(23)25-19(18)20(16)28-2)8-12(9-14(17)22(26)24-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,24,26)"	COC1=C(C2=C3C(=C1)NC(=O)C4=C3C(=CC(=C4)C5=CC=CC=C5)C(=N2)Cl)OC	LDAFJPGSDGLYRP-UHFFFAOYSA-N
DG62681	"7-methyl-2-(5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one"	5470947	NSC706461; CHEMBL1971237; NSC-706461; NCI60_037941	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706461	.	.	.	.	318.4	C19H14N2OS	70.2	486	4.2	23	1	4	2	"InChI=1S/C19H14N2OS/c1-12-7-8-14-16(22)11-15(21-19(14)20-12)18-10-9-17(23-18)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21,22)"	CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=C(S3)C4=CC=CC=C4	VLBKMOGBALWCFG-UHFFFAOYSA-N
DG62682	"7-Methyl-2-(benzo[b]thiophene-3-yl)-1,8-naphthyridine-4(1H)-one"	5470948	"CHEMBL132896; NSC706462; SCHEMBL3867197; BDBM50472344; NSC-706462; NCI60_037942; 7-Methyl-2-(benzo[b]thiophene-3-yl)-1,8-naphthyridine-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706462	.	.	.	.	292.4	C17H12N2OS	70.2	464	3.9	21	1	4	1	"InChI=1S/C17H12N2OS/c1-10-6-7-12-15(20)8-14(19-17(12)18-10)13-9-21-16-5-3-2-4-11(13)16/h2-9H,1H3,(H,18,19,20)"	CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CSC4=CC=CC=C43	GINJZDYIUXFIFH-UHFFFAOYSA-N
DG62683	"7-Methyl-2-(3-methylbenzo[b]thiophene-2-yl)-1,8-naphthyridine-4(1H)-one"	5470949	"CHEMBL334478; NSC706463; BDBM50472350; NSC-706463; NCI60_037943; 7-Methyl-2-(3-methylbenzo[b]thiophene-2-yl)-1,8-naphthyridine-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706463	.	.	.	.	306.4	C18H14N2OS	70.2	492	4.3	22	1	4	1	"InChI=1S/C18H14N2OS/c1-10-7-8-13-15(21)9-14(20-18(13)19-10)17-11(2)12-5-3-4-6-16(12)22-17/h3-9H,1-2H3,(H,19,20,21)"	CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=C(C4=CC=CC=C4S3)C	YYWOOVGOMGHNOU-UHFFFAOYSA-N
DG62684	"7-Methyl-2-(benzo[b]thiophene-2-yl)-1,8-naphthyridine-4(1H)-one"	5470950	"CHEMBL133300; NSC706464; BDBM50472348; NSC-706464; NCI60_037944; 1, 2-(benzo[b]thiophen-2-yl)-7-methyl-; 7-Methyl-2-(benzo[b]thiophene-2-yl)-1,8-naphthyridine-4(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706464	.	.	.	.	292.4	C17H12N2OS	70.2	464	3.9	21	1	4	1	"InChI=1S/C17H12N2OS/c1-10-6-7-12-14(20)9-13(19-17(12)18-10)16-8-11-4-2-3-5-15(11)21-16/h2-9H,1H3,(H,18,19,20)"	CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC4=CC=CC=C4S3	CIAZHGARPWZJCQ-UHFFFAOYSA-N
DG62685	Cystothiazole A	5470965	"Cystothiazole A; Melithiazole E; (+)-cystothiazole A; CHEBI:65716; methyl (2E,4R,5S,6E)-3,5-dimethoxy-4-methyl-7-[2'-(propan-2-yl)-2,4'-bi-1,3-thiazol-4-yl]hepta-2,6-dienoate; CHEMBL1988530; NSC706999; NSC-706999; Q27134201; (2E,4R,5S,6E)-Methyl 7-(2'-isopropyl-[2,4'-bithiazol]-4-yl)-3,5-dimethoxy-4-methylhepta-2,6-dienoate; 207399-36-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706999	.	.	.	.	422.6	C20H26N2O4S2	127	570	3.9	28	0	8	10	"InChI=1S/C20H26N2O4S2/c1-12(2)19-22-15(11-28-19)20-21-14(10-27-20)7-8-16(24-4)13(3)17(25-5)9-18(23)26-6/h7-13,16H,1-6H3/b8-7+,17-9+/t13-,16+/m1/s1"	C[C@H]([C@H](/C=C/C1=CSC(=N1)C2=CSC(=N2)C(C)C)OC)/C(=C\\C(=O)OC)/OC	LRTJMINIVSPVMX-ZVJWTWILSA-N
DG62686	"[(2-Oxo-5-bromo-2,3-dihydro-1H-indole)-3-ylidene]acetic acid methyl ester"	5470983	"NSC707048; CHEMBL1979123; NSC-707048; [(2-Oxo-5-bromo-2,3-dihydro-1H-indole)-3-ylidene]acetic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707048	.	.	.	.	282.09	C11H8BrNO3	55.4	353	1.6	16	1	3	2	"InChI=1S/C11H8BrNO3/c1-16-10(14)5-8-7-4-6(12)2-3-9(7)13-11(8)15/h2-5H,1H3,(H,13,15)/b8-5-"	COC(=O)/C=C\\1/C2=C(C=CC(=C2)Br)NC1=O	RZNRCMOMGZFXQH-YVMONPNESA-N
DG62687	"(2Z,5Z)-3-(2-benzhydrylidenehydrazinyl)-6-hydroxy-1,6-diphenylhexa-2,5-diene-1,4-dione"	5470988	NSC707063; CHEMBL1980179; NSC-707063	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707063	.	.	.	.	472.5	C31H24N2O3	78.8	799	7.9	36	2	5	9	"InChI=1S/C31H24N2O3/c34-28(23-13-5-1-6-14-23)21-27(30(36)22-29(35)24-15-7-2-8-16-24)32-33-31(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22,32,35H/b27-21-,29-22-"	C1=CC=C(C=C1)/C(=C/C(=O)/C(=C/C(=O)C2=CC=CC=C2)/NN=C(C3=CC=CC=C3)C4=CC=CC=C4)/O	WHOWIFFBALQAIW-FCTDXPKRSA-N
DG62688	"(4E)-2-hydroxy-4-[hydroxy(phenyl)methylidene]-1,5-bis(4-methoxyphenyl)-2-phenacylpyrrolidin-3-one"	5471002	NSC707085; CHEMBL1994338; NSC-707085	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707085	.	.	.	.	535.6	C33H29NO6	96.3	906	6.3	40	2	7	8	"InChI=1S/C33H29NO6/c1-39-26-17-13-23(14-18-26)30-29(31(36)24-11-7-4-8-12-24)32(37)33(38,21-28(35)22-9-5-3-6-10-22)34(30)25-15-19-27(40-2)20-16-25/h3-20,30,36,38H,21H2,1-2H3/b31-29+"	COC1=CC=C(C=C1)C2/C(=C(/C3=CC=CC=C3)\\O)/C(=O)C(N2C4=CC=C(C=C4)OC)(CC(=O)C5=CC=CC=C5)O	RRMYJWUPSUMQAZ-OWWNRXNESA-N
DG62689	16-(4-Dimethylaminobenzylidene)-17-oxo-5-androsten-3beta-ol	5471008	NSC707181; CHEMBL1971130; ZINC5596282; NSC-707181; 16-(4-Dimethylaminobenzylidene)-17-oxo-5-androsten-3.beta.-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707181	.	.	.	.	419.6	C28H37NO2	40.5	789	5.4	31	1	3	2	"InChI=1S/C28H37NO2/c1-27-13-11-22(30)17-20(27)7-10-23-24(27)12-14-28(2)25(23)16-19(26(28)31)15-18-5-8-21(9-6-18)29(3)4/h5-9,15,22-25,30H,10-14,16-17H2,1-4H3/b19-15+/t22-,23+,24-,25-,27-,28-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\\C5=CC=C(C=C5)N(C)C)/C4=O)C)O	KHWMMNOVUASODC-ALOBBOQISA-N
DG62690	"1H-Indole-3-acetamide, 2-[3-methoxy-3-methyl-1-butenyl]-N-[2-[1-(triphenylmethyl)-1H-imidazol-4-yl]ethyl]-"	5471025	"NSC707438; CHEMBL1993027; NSC-707438; 2-(E)-(3-Methoxy-3-methyl-1-butene)-indole-3-acetic acid N(^tau)-tritylhistamine amide; 1H-Indole-3-acetamide, 2-[3-methoxy-3-methyl-1-butenyl]- N-[2-[1-(triphenylmethyl)-1H-imidazol-4-yl]ethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707438	.	.	.	.	608.8	C40H40N4O2	71.9	934	7	46	2	3	12	"InChI=1S/C40H40N4O2/c1-39(2,46-3)25-23-37-35(34-21-13-14-22-36(34)43-37)27-38(45)41-26-24-33-28-44(29-42-33)40(30-15-7-4-8-16-30,31-17-9-5-10-18-31)32-19-11-6-12-20-32/h4-23,25,28-29,43H,24,26-27H2,1-3H3,(H,41,45)/b25-23+"	CC(C)(/C=C/C1=C(C2=CC=CC=C2N1)CC(=O)NCCC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OC	BBJLJOMWQNJXLB-WJTDDFOZSA-N
DG62691	"(E)-but-2-enedioic acid;tert-butyl N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]carbamate"	5471028	NSC707467; CHEMBL2006617; NSC-707467	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707467	.	.	.	.	398.5	C20H34N2O6	107	451	.	28	2	7	6	"InChI=1S/C16H30N2O2.C4H4O4/c1-16(2,3)20-15(19)17(4)13-9-5-6-10-14(13)18-11-7-8-12-18;5-3(6)1-2-4(7)8/h13-14H,5-12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-,14+;/m0./s1"	CC(C)(C)OC(=O)N(C)[C@H]1CCCC[C@H]1N2CCCC2.C(=C/C(=O)O)\\C(=O)O	HHKWNXMSFLRNMP-NKTUFLPASA-N
DG62692	Boc-D-N(allyl)Ala-Ala-OMe	5471032	NSC707483; SCHEMBL6933293; CHEMBL1981068; NSC-707483; NCI60_038182	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707483	.	.	.	.	314.38	C15H26N2O5	84.9	428	1.8	22	1	5	9	"InChI=1S/C15H26N2O5/c1-8-9-17(14(20)22-15(4,5)6)11(3)12(18)16-10(2)13(19)21-7/h8,10-11H,1,9H2,2-7H3,(H,16,18)/t10-,11+/m0/s1"	C[C@@H](C(=O)OC)NC(=O)[C@@H](C)N(CC=C)C(=O)OC(C)(C)C	QLOCPZNPAGGXPO-WDEREUQCSA-N
DG62693	"4-[(Z)-(1,2-dimethylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate"	5471038	"NSC707772; NSC-707772; 4-[(Z)-(1,2-dimethylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate; Pyrazolo[1, 4-[[4-(dimethylamino)phenyl]methylene]-1,2-dimethyl-, trifluoromethanesulfonate, (4Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707772	.	.	.	.	465.5	C22H22F3N3O3S	77.6	622	.	32	0	7	2	"InChI=1S/C21H22N3.CHF3O3S/c1-15-13-21-19(14-16-9-11-17(12-10-16)22(2)3)18-7-5-6-8-20(18)24(21)23(15)4;2-1(3,4)8(5,6)7/h5-14H,1-4H3;(H,5,6,7)/q+1;/p-1"	CC1=[N+](N2C3=CC=CC=C3/C(=C/C4=CC=C(C=C4)N(C)C)/C2=C1)C.C(F)(F)(F)S(=O)(=O)[O-]	ZDRPSZQLMODADQ-UHFFFAOYSA-M
DG62694	NSC707773	5471040	"N,N-dimethyl-4-[(Z)-[1-methyl-2-[(E)-2-phenylethenyl]pyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]aniline;trifluoromethanesulfonate; NSC707773; CHEMBL2003608; NSC-707773"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707773	.	.	.	.	553.6	C29H26F3N3O3S	77.6	798	.	39	0	7	4	"InChI=1S/C28H26N3.CHF3O3S/c1-29(2)23-16-14-22(15-17-23)19-26-25-11-7-8-12-27(25)31-28(26)20-24(30(31)3)18-13-21-9-5-4-6-10-21;2-1(3,4)8(5,6)7/h4-20H,1-3H3;(H,5,6,7)/q+1;/p-1/b18-13+;"	C[N+]1=C(C=C\\2N1C3=CC=CC=C3/C2=C/C4=CC=C(C=C4)N(C)C)/C=C/C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]	PSROBECGVMEYHD-PUBYZPQMSA-M
DG62695	(E)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one	5471054	NSC707832; CHEMBL1976592; NSC-707832	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707832	.	.	.	.	507.5	C28H27F2N3O4	78.6	725	4.7	37	0	7	8	"InChI=1S/C28H27F2N3O4/c29-24-8-4-22(5-9-24)28(23-6-10-25(30)11-7-23)37-20-19-31-15-17-32(18-16-31)27(34)14-3-21-1-12-26(13-2-21)33(35)36/h1-14,28H,15-20H2/b14-3+"	C1CN(CCN1CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-]	WBKIEXXYWOAONG-LZWSPWQCSA-N
DG62696	methyl (Z)-4-[[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]amino]but-2-enoate	5471055	NSC707841; CHEMBL2001538; NSC-707841	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707841	.	.	.	.	464.6	C27H36N4O3	68.6	619	4.6	34	1	6	14	"InChI=1S/C27H36N4O3/c1-5-30(6-2)17-18-31-25-15-12-22(28-16-8-9-27(32)33-4)20-24(25)29-26(31)19-21-10-13-23(14-11-21)34-7-3/h8-15,20,28H,5-7,16-19H2,1-4H3/b9-8-"	CCN(CC)CCN1C2=C(C=C(C=C2)NC/C=C\\C(=O)OC)N=C1CC3=CC=C(C=C3)OCC	GPXNTZOSFUIRMY-HJWRWDBZSA-N
DG62697	"methyl (Z)-4-(benzylideneamino)-4,4-dicyanobut-2-enoate"	5471060	NSC708044; CHEMBL2007544; NSC-708044	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708044	.	.	.	.	253.26	C14H11N3O2	86.2	453	1.6	19	0	5	5	"InChI=1S/C14H11N3O2/c1-19-13(18)7-8-14(10-15,11-16)17-9-12-5-3-2-4-6-12/h2-9H,1H3/b8-7-,17-9 "	COC(=O)/C=C\\C(C#N)(C#N)N=CC1=CC=CC=C1	BNKLTFHOSGNCPM-ZYHQWUINSA-N
DG62698	"methyl (Z)-4,4-dicyano-4-[(4-methylphenyl)methylideneamino]but-2-enoate"	5471061	NSC708045; CHEMBL1992946; NSC-708045	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708045	.	.	.	.	267.28	C15H13N3O2	86.2	480	1.9	20	0	5	5	"InChI=1S/C15H13N3O2/c1-12-3-5-13(6-4-12)9-18-15(10-16,11-17)8-7-14(19)20-2/h3-9H,1-2H3/b8-7-,18-9 "	CC1=CC=C(C=C1)C=NC(/C=C\\C(=O)OC)(C#N)C#N	LYVHRGNWZYNQDU-HDKKCLFBSA-N
DG62699	"methyl (Z)-4,4-dicyano-4-[(4-methoxyphenyl)methylideneamino]but-2-enoate"	5471062	MLS002702481; NSC708046; CHEMBL1712968; CHEMBL1988079; NSC-708046; SMR001566042	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708046	.	.	.	.	283.28	C15H13N3O3	95.5	497	1.5	21	0	6	6	"InChI=1S/C15H13N3O3/c1-20-13-5-3-12(4-6-13)9-18-15(10-16,11-17)8-7-14(19)21-2/h3-9H,1-2H3/b8-7-,18-9 "	COC1=CC=C(C=C1)C=NC(/C=C\\C(=O)OC)(C#N)C#N	ZDMDZPQMOOBVIE-HDKKCLFBSA-N
DG62700	"2-Butenoic acid,4-dicyano-4-[[(3-thienyl)methylene]amino]-, ethyl ester, (2Z,1E)-"	5471063	"NSC708048; CHEMBL1995771; NSC-708048; 2-Butenoic acid,4-dicyano-4-[[(3-thienyl)methylene]amino]-, ethyl ester, (2Z,1E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708048	.	.	.	.	273.31	C13H11N3O2S	115	465	1.6	19	0	6	6	"InChI=1S/C13H11N3O2S/c1-2-18-12(17)3-5-13(9-14,10-15)16-7-11-4-6-19-8-11/h3-8H,2H2,1H3/b5-3-,16-7 "	CCOC(=O)/C=C\\C(C#N)(C#N)N=CC1=CSC=C1	VLICLSDQVFWEPK-LEGCWVATSA-N
DG62701	"1,3-Bis[3-(1-piperidin-1-ylcyclohexyl)phenyl]thiourea"	5471064	NSC708072; CHEMBL1981560; NSC-708072; NCI60_038318	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708072	.	.	.	.	558.9	C35H50N4S	62.6	727	7.6	40	2	3	6	"InChI=1S/C35H50N4S/c40-33(36-31-17-13-15-29(27-31)34(19-5-1-6-20-34)38-23-9-3-10-24-38)37-32-18-14-16-30(28-32)35(21-7-2-8-22-35)39-25-11-4-12-26-39/h13-18,27-28H,1-12,19-26H2,(H2,36,37,40)"	C1CCC(CC1)(C2=CC(=CC=C2)NC(=S)NC3=CC=CC(=C3)C4(CCCCC4)N5CCCCC5)N6CCCCC6	SLZBNDXHHFHIET-UHFFFAOYSA-N
DG62702	1-(1-benzothiophen-2-yl)-N-methylcyclohexan-1-amine;(E)-but-2-enedioic acid	5471068	NSC708080; CHEMBL2001480; NSC-708080	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708080	.	.	.	.	361.5	C19H23NO4S	115	379	.	25	3	6	4	"InChI=1S/C15H19NS.C4H4O4/c1-16-15(9-5-2-6-10-15)14-11-12-7-3-4-8-13(12)17-14;5-3(6)1-2-4(7)8/h3-4,7-8,11,16H,2,5-6,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+"	CNC1(CCCCC1)C2=CC3=CC=CC=C3S2.C(=C/C(=O)O)\\C(=O)O	JFPAFVYNSFTGHK-WLHGVMLRSA-N
DG62703	"1-(1-benzothiophen-2-yl)-N,N-dimethylcyclohexan-1-amine;(E)-but-2-enedioic acid"	5471069	NSC708081; CHEMBL1995122; NSC-708081	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708081	.	.	.	.	375.5	C20H25NO4S	106	402	.	26	2	6	4	"InChI=1S/C16H21NS.C4H4O4/c1-17(2)16(10-6-3-7-11-16)15-12-13-8-4-5-9-14(13)18-15;5-3(6)1-2-4(7)8/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+"	CN(C)C1(CCCCC1)C2=CC3=CC=CC=C3S2.C(=C/C(=O)O)\\C(=O)O	QYKXDKSTFLPNKI-WLHGVMLRSA-N
DG62704	1-[1-(1-benzothiophen-2-yl)cycloheptyl]piperidine;(E)-but-2-enedioic acid	5471072	NSC708087; CHEMBL1997831; NSC-708087	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708087	.	.	.	.	429.6	C24H31NO4S	106	474	.	30	2	6	4	"InChI=1S/C20H27NS.C4H4O4/c1-2-7-13-20(12-6-1,21-14-8-3-9-15-21)19-16-17-10-4-5-11-18(17)22-19;5-3(6)1-2-4(7)8/h4-5,10-11,16H,1-3,6-9,12-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+"	C1CCCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCCC4.C(=C/C(=O)O)\\C(=O)O	HOYGPGFKMLCXGD-WLHGVMLRSA-N
DG62705	2-amino-N-[1-(1-benzothiophen-2-yl)cyclohexyl]acetamide;(E)-but-2-enedioic acid	5471073	NSC708106; CHEMBL1989536; NSC-708106	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708106	.	.	.	.	404.5	C20H24N2O5S	158	473	.	28	4	7	5	"InChI=1S/C16H20N2OS.C4H4O4/c17-11-15(19)18-16(8-4-1-5-9-16)14-10-12-6-2-3-7-13(12)20-14;5-3(6)1-2-4(7)8/h2-3,6-7,10H,1,4-5,8-9,11,17H2,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+"	C1CCC(CC1)(C2=CC3=CC=CC=C3S2)NC(=O)CN.C(=C/C(=O)O)\\C(=O)O	XCEUKWOCSOHMJO-WLHGVMLRSA-N
DG62706	1-[1-(1-benzothiophen-2-yl)cyclopentyl]piperidine;(E)-but-2-enedioic acid	5471077	NSC708123; CHEMBL1980507; NSC-708123	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708123	.	.	.	.	401.5	C22H27NO4S	106	449	.	28	2	6	4	"InChI=1S/C18H23NS.C4H4O4/c1-6-12-19(13-7-1)18(10-4-5-11-18)17-14-15-8-2-3-9-16(15)20-17;5-3(6)1-2-4(7)8/h2-3,8-9,14H,1,4-7,10-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+"	C1CCN(CC1)C2(CCCC2)C3=CC4=CC=CC=C4S3.C(=C/C(=O)O)\\C(=O)O	NHMDEELDYWHEEQ-WLHGVMLRSA-N
DG62707	NSC708421	5471094	"3-[2-[4-oxo-2-[(E)-2-phenylethenyl]-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-[(E)-2-phenylethenyl]-1,3-thiazolidin-4-one; NSC708421; CHEMBL2005162; NSC-708421"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708421	.	.	.	.	598.8	C30H22N4O2S4	174	922	7.7	40	0	8	6	"InChI=1S/C30H22N4O2S4/c35-25-17-37-27(13-11-19-7-3-1-4-8-19)33(25)29-31-21-15-24-22(16-23(21)39-29)32-30(40-24)34-26(36)18-38-28(34)14-12-20-9-5-2-6-10-20/h1-16,27-28H,17-18H2/b13-11+,14-12+"	C1C(=O)N(C(S1)/C=C/C2=CC=CC=C2)C3=NC4=CC5=C(C=C4S3)N=C(S5)N6C(SCC6=O)/C=C/C7=CC=CC=C7	ABVVAMCCOGSZCL-PHEQNACWSA-N
DG62708	(4-methoxyphenyl)-[4-[3-[(E)-2-nitroethenyl]indol-1-yl]phenyl]methanone	5471105	NSC708483; CHEMBL1985302; NSC-708483	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708483	.	.	.	.	398.4	C24H18N2O4	77	630	5.2	30	0	4	5	"InChI=1S/C24H18N2O4/c1-30-21-12-8-18(9-13-21)24(27)17-6-10-20(11-7-17)25-16-19(14-15-26(28)29)22-4-2-3-5-23(22)25/h2-16H,1H3/b15-14+"	COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N3C=C(C4=CC=CC=C43)/C=C/[N+](=O)[O-]	LXXBHAHCWIONOF-CCEZHUSRSA-N
DG62709	"4-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N-pentan-3-ylbenzamide;hydrochloride"	5471112	NSC708822; CHEMBL1991801; NSC-708822	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708822	.	.	.	.	500.1	C29H42ClN3O2	44.8	629	.	35	2	4	10	"InChI=1S/C29H41N3O2.ClH/c1-7-17-31-19-22(5)32(20-21(31)4)28(25-11-10-12-27(18-25)34-6)23-13-15-24(16-14-23)29(33)30-26(8-2)9-3;/h7,10-16,18,21-22,26,28H,1,8-9,17,19-20H2,2-6H3,(H,30,33);1H/t21-,22+,28-;/m1./s1"	CCC(CC)NC(=O)C1=CC=C(C=C1)[C@H](C2=CC(=CC=C2)OC)N3C[C@H](N(C[C@@H]3C)CC=C)C.Cl	OYXUPMHVXKKQCQ-NQDMEMLCSA-N
DG62710	"(E)-1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2,3,4-trihydroxyphenyl)prop-2-en-1-one"	5471154	NSC709098; CHEMBL1981987; NSC-709098	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709098	.	.	.	.	384.5	C23H28O5	98	547	5.6	28	4	5	5	"InChI=1S/C23H28O5/c1-22(2,3)15-11-14(12-16(20(15)27)23(4,5)6)17(24)9-7-13-8-10-18(25)21(28)19(13)26/h7-12,25-28H,1-6H3/b9-7+"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)/C=C/C2=C(C(=C(C=C2)O)O)O	WDIOWUWTQMVHFV-VQHVLOKHSA-N
DG62711	"(E)-1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one"	5471155	NSC709099; CHEMBL1980729; NSC-709099	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709099	.	.	.	.	405.4	C23H26Cl2O2	37.3	510	7.9	27	1	2	5	"InChI=1S/C23H26Cl2O2/c1-22(2,3)16-12-14(13-17(21(16)27)23(4,5)6)20(26)11-10-15-18(24)8-7-9-19(15)25/h7-13,27H,1-6H3/b11-10+"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)/C=C/C2=C(C=CC=C2Cl)Cl	GXXLFVSNHZDRFN-ZHACJKMWSA-N
DG62712	"(E)-1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one"	5471156	NSC709100; CHEMBL1968589; NSC-709100	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709100	.	.	.	.	396.5	C25H32O4	55.8	544	6.6	29	1	4	7	"InChI=1S/C25H32O4/c1-24(2,3)18-14-17(15-19(23(18)27)25(4,5)6)20(26)11-9-16-10-12-21(28-7)22(13-16)29-8/h9-15,27H,1-8H3/b11-9+"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)/C=C/C2=CC(=C(C=C2)OC)OC	ZGFOORMBYRSFFJ-PKNBQFBNSA-N
DG62713	"(E)-1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one"	5471157	NSC709101; CHEMBL1999740; NSC-709101	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709101	.	.	.	.	379.5	C25H33NO2	40.5	520	6.8	28	1	3	6	"InChI=1S/C25H33NO2/c1-24(2,3)20-15-18(16-21(23(20)28)25(4,5)6)22(27)14-11-17-9-12-19(13-10-17)26(7)8/h9-16,28H,1-8H3/b14-11+"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)/C=C/C2=CC=C(C=C2)N(C)C	IKNKJIBCKVHFEA-SDNWHVSQSA-N
DG62714	"(E)-3-(1,3-benzodioxol-5-yl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-en-1-one"	5471158	NSC709102; CHEMBL2004967; NSC-709102	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709102	.	.	.	.	380.5	C24H28O4	55.8	558	6.5	28	1	4	5	"InChI=1S/C24H28O4/c1-23(2,3)17-12-16(13-18(22(17)26)24(4,5)6)19(25)9-7-15-8-10-20-21(11-15)28-14-27-20/h7-13,26H,14H2,1-6H3/b9-7+"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)/C=C/C2=CC3=C(C=C2)OCO3	MVZNBDLQQVCBSV-VQHVLOKHSA-N
DG62715	"(E)-1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-[4-(diethylamino)phenyl]prop-2-en-1-one"	5471159	NSC709103; CHEMBL1969524; NSC-709103	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709103	.	.	.	.	407.6	C27H37NO2	40.5	547	7.5	30	1	3	8	"InChI=1S/C27H37NO2/c1-9-28(10-2)21-14-11-19(12-15-21)13-16-24(29)20-17-22(26(3,4)5)25(30)23(18-20)27(6,7)8/h11-18,30H,9-10H2,1-8H3/b16-13+"	CCN(CC)C1=CC=C(C=C1)/C=C/C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C	UYNVNMBZHPBTDU-DTQAZKPQSA-N
DG62716	"2-Propenone,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-3-(1H-pyrazol-3-yl)-"	5471160	"NSC709104; CHEMBL1964411; NSC-709104; 2-Propenone,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- 3-(1H-pyrazol-3-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709104	.	.	.	.	326.4	C20H26N2O2	66	449	5	24	2	3	5	"InChI=1S/C20H26N2O2/c1-19(2,3)15-11-13(12-16(18(15)24)20(4,5)6)17(23)8-7-14-9-10-21-22-14/h7-12,24H,1-6H3,(H,21,22)/b8-7+"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)/C=C/C2=CC=NN2	MIKNOXVYSSHZAA-BQYQJAHWSA-N
DG62717	"(E)-3-(4-Hydroxy-3,5-di-tert-butylphenyl)-2-cyanoacrylic acid methyl ester"	5471164	"NSC709112; CHEMBL1985567; NSC-709112; (E)-3-(4-Hydroxy-3,5-di-tert-butylphenyl)-2-cyanoacrylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709112	.	.	.	.	315.4	C19H25NO3	70.3	489	5.1	23	1	4	5	"InChI=1S/C19H25NO3/c1-18(2,3)14-9-12(8-13(11-20)17(22)23-7)10-15(16(14)21)19(4,5)6/h8-10,21H,1-7H3/b13-8+"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\\C#N)/C(=O)OC	RTNSFKJJCGPXRP-MDWZMJQESA-N
DG62718	"(5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one"	5471168	NSC709117; CHEMBL1992337; NSC-709117	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709117	.	.	.	.	372.5	C21H28N2O2S	84.7	589	5.5	26	2	3	5	"InChI=1S/C21H28N2O2S/c1-8-9-23-18(25)16(22-19(23)26)12-13-10-14(20(2,3)4)17(24)15(11-13)21(5,6)7/h8,10-12,24H,1,9H2,2-7H3,(H,22,26)/b16-12+"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/2\\C(=O)N(C(=S)N2)CC=C	XHFPXYGSFNZYDA-FOWTUZBSSA-N
DG62719	NSC709360	5471188	"(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]-N-[3-[[(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]acetyl]amino]propyl]acetamide; NSC709360; CHEMBL2004724; NSC-709360"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709360	.	.	.	.	550.6	C31H30N6O4	124	1100	-0.1	41	2	6	6	"InChI=1S/C31H30N6O4/c38-28(14-20-12-22-16-34-26-8-3-1-6-24(26)30(40)36(22)18-20)32-10-5-11-33-29(39)15-21-13-23-17-35-27-9-4-2-7-25(27)31(41)37(23)19-21/h1-4,6-9,14-17,22-23H,5,10-13,18-19H2,(H,32,38)(H,33,39)/b20-14+,21-15+/t22-,23-/m0/s1"	C1/C(=C\\C(=O)NCCCNC(=O)/C=C\\2/CN3C(=O)C4=CC=CC=C4N=C[C@@H]3C2)/CN5[C@@H]1C=NC6=CC=CC=C6C5=O	DYQBGQKTFQZNGR-KXSHQAFDSA-N
DG62720	NSC709361	5471189	"(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]-N-[4-[[(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]acetyl]amino]butyl]acetamide; NSC709361; CHEMBL1970218; NSC-709361"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709361	.	.	.	.	564.6	C32H32N6O4	124	1120	0.3	42	2	6	7	"InChI=1S/C32H32N6O4/c39-29(15-21-13-23-17-35-27-9-3-1-7-25(27)31(41)37(23)19-21)33-11-5-6-12-34-30(40)16-22-14-24-18-36-28-10-4-2-8-26(28)32(42)38(24)20-22/h1-4,7-10,15-18,23-24H,5-6,11-14,19-20H2,(H,33,39)(H,34,40)/b21-15+,22-16+/t23-,24-/m0/s1"	C1/C(=C\\C(=O)NCCCCNC(=O)/C=C\\2/CN3C(=O)C4=CC=CC=C4N=C[C@@H]3C2)/CN5[C@@H]1C=NC6=CC=CC=C6C5=O	RNLFRFCMJFDFOF-PVZRLHNFSA-N
DG62721	NSC709362	5471190	"(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]-N-[5-[[(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]acetyl]amino]pentyl]acetamide; NSC709362; CHEMBL2005096; NSC-709362; Acetamide,N'-(1,5-pentanediyl)bis[2-(1,3,5,11a-tetrahydro- 5-oxopyrrolo[2,1-c][1,4]benzodiazepin-2-ylidene)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709362	.	.	.	.	578.7	C33H34N6O4	124	1130	0.6	43	2	6	8	"InChI=1S/C33H34N6O4/c40-30(16-22-14-24-18-36-28-10-4-2-8-26(28)32(42)38(24)20-22)34-12-6-1-7-13-35-31(41)17-23-15-25-19-37-29-11-5-3-9-27(29)33(43)39(25)21-23/h2-5,8-11,16-19,24-25H,1,6-7,12-15,20-21H2,(H,34,40)(H,35,41)/b22-16+,23-17+/t24-,25-/m0/s1"	C1/C(=C\\C(=O)NCCCCCNC(=O)/C=C\\2/CN3C(=O)C4=CC=CC=C4N=C[C@@H]3C2)/CN5[C@@H]1C=NC6=CC=CC=C6C5=O	JLSJFQABDXFMHS-CVYWXUFRSA-N
DG62722	(E)-1-[1-[2-(4-chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]-3-(2-furyl)prop-2-en-1-one	5471213	"NSC709475; CHEMBL1987450; NSC-709475; (E)-1-[1-[2-(4-chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]-3-(2-furyl)prop-2-en-1-one; 2-Propen-1-one, 1-[1-[2-(4-chlorophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]-3-(2-furanyl)-, (2E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709475	.	.	.	.	390.8	C22H15ClN2O3	65.099	603	4.8	28	0	4	6	"InChI=1S/C22H15ClN2O3/c23-16-9-7-15(8-10-16)21(27)14-25-19-6-2-1-5-18(19)24-22(25)20(26)12-11-17-4-3-13-28-17/h1-13H,14H2/b12-11+"	C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)Cl)C(=O)/C=C/C4=CC=CO4	HBMIPQUAAYBAAT-VAWYXSNFSA-N
DG62723	(E)-1-[1-[2-(4-chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]-3-(2-thienyl)prop-2-en-1-one	5471215	"NSC709477; CHEMBL1972499; NSC-709477; (E)-1-[1-[2-(4-chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]-3-(2-thienyl)prop-2-en-1-one; 2-Propen-1-one, 1-[1-[2-(4-chlorophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]-3-(2-thienyl)-, (2E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709477	.	.	.	.	406.9	C22H15ClN2O2S	80.2	605	5.4	28	0	4	6	"InChI=1S/C22H15ClN2O2S/c23-16-9-7-15(8-10-16)21(27)14-25-19-6-2-1-5-18(19)24-22(25)20(26)12-11-17-4-3-13-28-17/h1-13H,14H2/b12-11+"	C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)Cl)C(=O)/C=C/C4=CC=CS4	IGVSFSRTEDAOEU-VAWYXSNFSA-N
DG62724	"3-(4-methoxyphenyl)-1-[(E)-2-(2-thienyl)vinyl]pyrazino[1,2-a]benzimidazole"	5471218	"NSC709480; CHEMBL1968472; NSC-709480; 3-(4-methoxyphenyl)-1-[(E)-2-(2-thienyl)vinyl]pyrazino[1,2-a]benzimidazole; Pyrazino[1,2-a]benzimidazole, 3-(4-methoxyphenyl)-1-[(E)-2-(2-thienyl)ethenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709480	.	.	.	.	383.5	C23H17N3OS	67.7	550	5.8	28	0	4	4	"InChI=1S/C23H17N3OS/c1-27-17-10-8-16(9-11-17)21-15-26-22-7-3-2-6-19(22)25-23(26)20(24-21)13-12-18-5-4-14-28-18/h2-15H,1H3/b13-12+"	COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=N2)/C=C/C5=CC=CS5	UMZLUAOYYKUESL-OUKQBFOZSA-N
DG62725	"3-(4-chlorophenyl)-1-[(E)-2-(2-thienyl)vinyl]pyrazino[1,2-a]benzimidazole"	5471219	"NSC709481; CHEMBL1997173; NSC-709481; 3-(4-chlorophenyl)-1-[(E)-2-(2-thienyl)vinyl]pyrazino[1,2-a]benzimidazole; Pyrazino[1,2-a]benzimidazole, 3-(4-chlorophenyl)-1-[(E)-2-(2-thienyl)ethenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709481	.	.	.	.	387.9	C22H14ClN3S	58.4	536	6.4	27	0	3	3	InChI=1S/C22H14ClN3S/c23-16-9-7-15(8-10-16)20-14-26-21-6-2-1-5-18(21)25-22(26)19(24-20)12-11-17-4-3-13-27-17/h1-14H/b12-11+	C1=CC=C2C(=C1)N=C3N2C=C(N=C3/C=C/C4=CC=CS4)C5=CC=C(C=C5)Cl	CMBTXTXSKJVUAF-VAWYXSNFSA-N
DG62726	Tetra(N-methyl-2-pyridyl)-porphyrin Chloride	5471231	NSC709848; NSC-709848; Tetra(N-methyl-2-pyridyl)-porphyrin Chloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709848	.	.	.	.	716.3	C44H40ClN8+3	64.3	1640	.	53	2	5	4	"InChI=1S/C44H39N8.ClH/c1-49-25-9-5-13-37(49)41-29-17-19-31(45-29)42(38-14-6-10-26-50(38)2)33-21-23-35(47-33)44(40-16-8-12-28-52(40)4)36-24-22-34(48-36)43(32-20-18-30(41)46-32)39-15-7-11-27-51(39)3;/h5-29,31,45H,1-4H3;1H/q+3;"	C[N+]1=CC=CC=C1/C/2=C\\3/N=C(/C(=C/4\\N/C(=C(\\C5=N/C(=C(\\C6NC2C=C6)/C7=CC=CC=[N+]7C)/C=C5)/C8=CC=CC=[N+]8C)/C=C4)/C9=CC=CC=[N+]9C)C=C3.[Cl-]	YFUXGMWJHRNUKW-UHFFFAOYSA-N
DG62727	"Bis(3-hydroxypropionic acid)(7Z,15Z)-7,15-tetracosadiene-1,24-diyl ester"	5471233	"NSC709852; CHEMBL1983844; NSC-709852; Bis(3-hydroxypropionic acid)(7Z,15Z)-7,15-tetracosadiene-1,24-diyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709852	.	.	.	.	510.7	C30H54O6	93.1	544	7.8	36	2	6	29	"InChI=1S/C30H54O6/c31-25-23-29(33)35-27-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-28-36-30(34)24-26-32/h5,7,10,12,31-32H,1-4,6,8-9,11,13-28H2/b7-5-,12-10-"	C(CCCCOC(=O)CCO)CCC/C=C\\CCCCCC/C=C\\CCCCCCOC(=O)CCO	DCXZDDNUTNOVOS-PSVOIDRLSA-N
DG62728	NSC709858	5471234	"[(3aS,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-1-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[c]furan-4-yl] 3,4-dihydroxy-2-methylidenebutanoate; NSC709858; CHEMBL2369350; NSC-709858; Butanoic acid,4-dihydroxy-2-methylene-, 1,3,3a,4,5,8,9,11a-octahydro- 10-(hydroxymethyl)-6-methyl-3-methylene-1-oxo- 3H-cyclodeca[c]furan-4-yl ester, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709858	.	.	.	.	378.4	C20H26O7	113	688	0.2	27	3	7	6	"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-15-18(13(3)26-20(15)25)17(7-11)27-19(24)12(2)16(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16 ,17+,18+/m1/s1"	C/C/1=C\\CC/C(=C/[C@@H]2[C@@H]([C@H](C1)OC(=O)C(=C)C(CO)O)C(=C)OC2=O)/CO	DPWXYEHGIIDURG-DJXTZVIASA-N
DG62729	"(2R,6R)-9,11-dibromo-4-sulfanylidene-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-dien-7-one"	5471245	NSC709970; CHEMBL2002386; NSC-709970; NCI60_038719	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709970	.	.	.	.	369.1	C8H3Br2NO2S2	98.7	354	3.2	15	1	4	0	"InChI=1S/C8H3Br2NO2S2/c9-6-1-2(7(10)15-6)4(12)5-3(1)11-8(14)13-5/h3,5H,(H,11,14)/t3-,5-/m1/s1"	[C@H]12[C@H](C(=O)C3=C(SC(=C31)Br)Br)OC(=S)N2	QDHFASGVDRQOFS-NQXXGFSBSA-N
DG62730	"(2R,6R)-9,11-dibromo-4-sulfanylidene-3-oxa-10-thia-5-azatricyclo[6.3.0.02,6]undeca-1(11),8-dien-7-one"	5471246	"NSC709971; CHEMBL1998718; NSC-709971; NCI60_038720; 7H-Thieno[3',4]cyclopent[1,2-d]oxazol-7-one, 4,6-dibromo-1,2,3a,7a-tetrahydro-2-thioxo-, CIS-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709971	.	.	.	.	369.1	C8H3Br2NO2S2	98.7	354	3.2	15	1	4	0	"InChI=1S/C8H3Br2NO2S2/c9-6-1-2(7(10)15-6)5-3(4(1)12)11-8(14)13-5/h3,5H,(H,11,14)/t3-,5+/m0/s1"	[C@@H]12[C@@H](C3=C(SC(=C3C1=O)Br)Br)OC(=S)N2	UISCDXVFACZDIU-WVZVXSGGSA-N
DG62731	[3-methyl-4-(phenylcarbamothioyl)phenyl] N-(4-chlorophenyl)carbamate	5471249	NSC710002; CHEMBL1985882; NSC-710002; NCI60_038739	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710002	.	.	.	.	396.9	C21H17ClN2O2S	82.4	504	5.5	27	2	3	5	"InChI=1S/C21H17ClN2O2S/c1-14-13-18(26-21(25)24-17-9-7-15(22)8-10-17)11-12-19(14)20(27)23-16-5-3-2-4-6-16/h2-13H,1H3,(H,23,27)(H,24,25)"	CC1=C(C=CC(=C1)OC(=O)NC2=CC=C(C=C2)Cl)C(=S)NC3=CC=CC=C3	SGOATNDCXULZIR-UHFFFAOYSA-N
DG62732	[4-[(4-bromophenyl)carbamothioyl]phenyl] N-(4-chlorophenyl)carbamate	5471250	NSC710003; CHEMBL1981695; NSC-710003; NCI60_038740	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710003	.	.	.	.	461.8	C20H14BrClN2O2S	82.4	500	5.8	27	2	3	5	"InChI=1S/C20H14BrClN2O2S/c21-14-3-7-16(8-4-14)23-19(27)13-1-11-18(12-2-13)26-20(25)24-17-9-5-15(22)6-10-17/h1-12H,(H,23,27)(H,24,25)"	C1=CC(=CC=C1C(=S)NC2=CC=C(C=C2)Br)OC(=O)NC3=CC=C(C=C3)Cl	NIKKEIBIEAZGLU-UHFFFAOYSA-N
DG62733	[4-[(4-bromophenyl)carbamothioyl]phenyl] N-methylcarbamate	5471252	NSC710005; CHEMBL1970752; NSC-710005; NCI60_038741	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710005	.	.	.	.	365.2	C15H13BrN2O2S	82.4	365	3.6	21	2	3	4	"InChI=1S/C15H13BrN2O2S/c1-17-15(19)20-13-8-2-10(3-9-13)14(21)18-12-6-4-11(16)5-7-12/h2-9H,1H3,(H,17,19)(H,18,21)"	CNC(=O)OC1=CC=C(C=C1)C(=S)NC2=CC=C(C=C2)Br	LDRZPLZTLYXXKX-UHFFFAOYSA-N
DG62734	[5-methyl-4-(phenylcarbamothioyl)-2-propan-2-ylphenyl] N-naphthalen-1-ylcarbamate	5471253	NSC710006; CHEMBL1987970; NSC-710006; NCI60_038742	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710006	.	.	.	.	454.6	C28H26N2O2S	82.4	662	7.2	33	2	3	6	"InChI=1S/C28H26N2O2S/c1-18(2)23-17-24(27(33)29-21-12-5-4-6-13-21)19(3)16-26(23)32-28(31)30-25-15-9-11-20-10-7-8-14-22(20)25/h4-18H,1-3H3,(H,29,33)(H,30,31)"	CC1=CC(=C(C=C1C(=S)NC2=CC=CC=C2)C(C)C)OC(=O)NC3=CC=CC4=CC=CC=C43	WRUPPPAGTCJINN-UHFFFAOYSA-N
DG62735	"[2-bromo-4-(phenylcarbamothioyl)phenyl] N,N-dimethylcarbamate"	5471254	NSC710007; CHEMBL1996137; NSC-710007; NCI60_038743	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710007	.	.	.	.	379.3	C16H15BrN2O2S	73.7	400	3.8	22	1	3	4	"InChI=1S/C16H15BrN2O2S/c1-19(2)16(20)21-14-9-8-11(10-13(14)17)15(22)18-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,22)"	CN(C)C(=O)OC1=C(C=C(C=C1)C(=S)NC2=CC=CC=C2)Br	WQSAFVMHZDGAHM-UHFFFAOYSA-N
DG62736	[4-(butylcarbamothioyl)phenyl] N-(4-chlorophenyl)carbamate	5471255	NSC710008; CHEMBL1994865; NSC-710008; NCI60_038744	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710008	.	.	.	.	362.9	C18H19ClN2O2S	82.4	406	4.8	24	2	3	7	"InChI=1S/C18H19ClN2O2S/c1-2-3-12-20-17(24)13-4-10-16(11-5-13)23-18(22)21-15-8-6-14(19)7-9-15/h4-11H,2-3,12H2,1H3,(H,20,24)(H,21,22)"	CCCCNC(=S)C1=CC=C(C=C1)OC(=O)NC2=CC=C(C=C2)Cl	HZSBVBWPFHOFTA-UHFFFAOYSA-N
DG62737	5-(diethylaminomethyl)-N-(4-methylphenyl)thiophene-2-carbothioamide	5471261	NSC710018; CHEMBL1970073; NSC-710018; NCI60_038749	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710018	.	.	.	.	318.5	C17H22N2S2	75.6	323	4.3	21	1	3	6	"InChI=1S/C17H22N2S2/c1-4-19(5-2)12-15-10-11-16(21-15)17(20)18-14-8-6-13(3)7-9-14/h6-11H,4-5,12H2,1-3H3,(H,18,20)"	CCN(CC)CC1=CC=C(S1)C(=S)NC2=CC=C(C=C2)C	VGZSDIDFADXVJC-UHFFFAOYSA-N
DG62738	N-(4-chlorophenyl)-5-(piperidin-1-ylmethyl)thiophene-2-carbothioamide	5471265	NSC710022; CHEMBL1996502; NSC-710022; NCI60_038753	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710022	.	.	.	.	350.9	C17H19ClN2S2	75.6	366	4.7	22	1	3	4	"InChI=1S/C17H19ClN2S2/c18-13-4-6-14(7-5-13)19-17(21)16-9-8-15(22-16)12-20-10-2-1-3-11-20/h4-9H,1-3,10-12H2,(H,19,21)"	C1CCN(CC1)CC2=CC=C(S2)C(=S)NC3=CC=C(C=C3)Cl	ADTDVXWCGNHHME-UHFFFAOYSA-N
DG62739	Naviculyl Caffeate	5471279	Naviculyl Caffeate; NSC710204; CHEMBL496064; NSC-710204	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710204	.	.	.	.	384.5	C24H32O4	66.8	639	5.7	28	2	4	5	"InChI=1S/C24H32O4/c1-16-9-12-24(4)17(2)19(10-13-23(16,24)3)11-14-28-22(27)8-6-18-5-7-20(25)21(26)15-18/h5-8,11,15-17,25-26H,9-10,12-14H2,1-4H3/b8-6+,19-11-/t16-,17-,23+,24+/m1/s1"	C[C@@H]1CC[C@@]2([C@]1(CC/C(=C/COC(=O)/C=C/C3=CC(=C(C=C3)O)O)/[C@H]2C)C)C	AFTXHVWTXMMGNO-KWMWQKORSA-N
DG62740	"2',4'-Dimethoxy-3,4-dihydroxychalcone"	5471280	"CHEMBL129523; NSC710264; SCHEMBL13696689; ZINC3935701; BDBM50042950; HX-0835; NSC-710264; 2',4'-Dimethoxy-3,4-dihydroxychalcone; 3-(3,4-Dihydroxy-phenyl)-1-(2,4-dimethoxy-phenyl)-propenone; 3-(3,4-dihydroxyphenyl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710264	.	.	.	.	300.3	C17H16O5	76	395	2.9	22	2	5	5	"InChI=1S/C17H16O5/c1-21-12-5-6-13(17(10-12)22-2)14(18)7-3-11-4-8-15(19)16(20)9-11/h3-10,19-20H,1-2H3/b7-3+"	COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)O)O)OC	XEFNHJDWTZIITP-XVNBXDOJSA-N
DG62741	"2',4'-Dimethoxy-2-fluoro-4,5-dihydroxychalcone"	5471281	"NSC710265; CHEMBL1974845; NSC-710265; 2',4'-Dimethoxy-2-fluoro-4,5-dihydroxychalcone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710265	.	.	.	.	318.3	C17H15FO5	76	427	3	23	2	6	5	"InChI=1S/C17H15FO5/c1-22-11-4-5-12(17(8-11)23-2)14(19)6-3-10-7-15(20)16(21)9-13(10)18/h3-9,20-21H,1-2H3/b6-3+"	COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2F)O)O)OC	KLCQVTRDBZJWCR-ZZXKWVIFSA-N
DG62742	"(E)-1-(2,5-dimethoxyphenyl)-3-(2-fluoro-4,5-dihydroxyphenyl)prop-2-en-1-one"	5471282	NSC710266; SCHEMBL8084244; CHEMBL1978158; NSC-710266	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710266	.	.	.	.	318.3	C17H15FO5	76	427	3	23	2	6	5	"InChI=1S/C17H15FO5/c1-22-11-4-6-17(23-2)12(8-11)14(19)5-3-10-7-15(20)16(21)9-13(10)18/h3-9,20-21H,1-2H3/b5-3+"	COC1=CC(=C(C=C1)OC)C(=O)/C=C/C2=CC(=C(C=C2F)O)O	UCLVFWWQFRKWSS-HWKANZROSA-N
DG62743	"(E)-1-(2,4-dimethoxyphenyl)-3-(2-fluoro-3,4-dihydroxyphenyl)prop-2-en-1-one"	5471283	NSC710267; CHEMBL1979752; NSC-710267	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710267	.	.	.	.	318.3	C17H15FO5	76	427	3	23	2	6	5	"InChI=1S/C17H15FO5/c1-22-11-5-6-12(15(9-11)23-2)13(19)7-3-10-4-8-14(20)17(21)16(10)18/h3-9,20-21H,1-2H3/b7-3+"	COC1=CC(=C(C=C1)C(=O)/C=C/C2=C(C(=C(C=C2)O)O)F)OC	GRGRHLRFJBTMHR-XVNBXDOJSA-N
DG62744	"(E)-3-(2,3-difluoro-4,5-dihydroxyphenyl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one"	5471284	NSC710268; CHEMBL1971156; NSC-710268	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710268	.	.	.	.	336.29	C17H14F2O5	76	458	3.1	24	2	7	5	"InChI=1S/C17H14F2O5/c1-23-10-4-5-11(14(8-10)24-2)12(20)6-3-9-7-13(21)17(22)16(19)15(9)18/h3-8,21-22H,1-2H3/b6-3+"	COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC(=C(C(=C2F)F)O)O)OC	DLHFKCWLKHMAAO-ZZXKWVIFSA-N
DG62745	N-[(Z)-1-(1-adamantyl)-3-(4-bromophenyl)iminoprop-1-enyl]-4-bromoaniline;hydrochloride	5471287	NSC710280; CHEMBL1968624; NSC-710280	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710280	.	.	.	.	550.8	C25H27Br2ClN2	24.4	586	.	30	2	2	5	"InChI=1S/C25H26Br2N2.ClH/c26-20-1-5-22(6-2-20)28-10-9-24(29-23-7-3-21(27)4-8-23)25-14-17-11-18(15-25)13-19(12-17)16-25;/h1-10,17-19,29H,11-16H2;1H/b24-9-,28-10 ;"	C1C2CC3CC1CC(C2)(C3)/C(=C/C=NC4=CC=C(C=C4)Br)/NC5=CC=C(C=C5)Br.Cl	IDAQPYXNNGHEKM-DZQRZYCYSA-N
DG62746	ethyl 4-[[(Z)-1-(1-adamantyl)-3-(4-ethoxycarbonylphenyl)iminoprop-1-enyl]amino]benzoate;hydrochloride	5471289	NSC710281; CHEMBL1975765; NSC-710281	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710281	.	.	.	.	537.1	C31H37ClN2O4	77	823	.	38	2	6	11	"InChI=1S/C31H36N2O4.ClH/c1-3-36-29(34)24-5-9-26(10-6-24)32-14-13-28(31-18-21-15-22(19-31)17-23(16-21)20-31)33-27-11-7-25(8-12-27)30(35)37-4-2;/h5-14,21-23,33H,3-4,15-20H2,1-2H3;1H/b28-13-,32-14 ;"	CCOC(=O)C1=CC=C(C=C1)N/C(=C\\C=NC2=CC=C(C=C2)C(=O)OCC)/C34CC5CC(C3)CC(C5)C4.Cl	CEWPUUYNXCSHSP-RIMWMRFGSA-N
DG62747	"N-[(1Z)-1,2-dichloro-5-(3,5-dimethylpyrazol-1-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-nitropenta-1,3-dienyl]-4-nitroaniline"	5471291	NSC710282; CHEMBL1987609; NSC-710282	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710282	.	.	.	.	520.4	C22H23Cl2N7O4	139	824	5.3	35	1	7	7	"InChI=1S/C22H23Cl2N7O4/c1-13-9-15(3)28(26-13)11-17(12-29-16(4)10-14(2)27-29)21(31(34)35)20(23)22(24)25-18-5-7-19(8-6-18)30(32)33/h5-10,25H,11-12H2,1-4H3/b22-20+"	CC1=CC(=NN1CC(=C(/C(=C(\\NC2=CC=C(C=C2)[N+](=O)[O-])/Cl)/Cl)[N+](=O)[O-])CN3C(=CC(=N3)C)C)C	ZCRIECJIDMIEKT-LSDHQDQOSA-N
DG62748	"(E)-but-2-enedioic acid;1-(7,8,9,10-tetrahydrophenanthridin-6-yl)piperidin-4-amine"	5471308	NSC710333; CHEMBL1982523; NSC-710333	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710333	.	.	.	.	397.5	C22H27N3O4	117	469	.	29	3	7	3	"InChI=1S/C18H23N3.C4H4O4/c19-13-9-11-21(12-10-13)18-16-7-2-1-5-14(16)15-6-3-4-8-17(15)20-18;5-3(6)1-2-4(7)8/h3-4,6,8,13H,1-2,5,7,9-12,19H2;1-2H,(H,5,6)(H,7,8)/b;2-1+"	C1CCC2=C(C1)C3=CC=CC=C3N=C2N4CCC(CC4)N.C(=C/C(=O)O)\\C(=O)O	CHFJFTVRZCQVDG-WLHGVMLRSA-N
DG62749	Artelastochromene	5471310	"Artelastochromene; 182052-09-1; NSC710341; CHEMBL2001043; DTXSID60420220; CHEBI:169779; LMPK12111533; NSC-710341; NCI60_038826; 6H,11H-Bis[1]benzopyrano[4,3-b:6',7'-e]pyran-7-one, 3,8- dihydroxy-11,11-dimethyl-13-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-; 7,15-dihydroxy-19,19-dimethyl-22-(3-methylbut-2-enyl)-11-(2-methylprop-1-enyl)-2,10,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4(9),5,7,15,17,21-octaen-13-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710341	.	.	.	.	486.6	C30H30O6	85.2	1010	7.1	36	2	6	3	"InChI=1S/C30H30O6/c1-15(2)7-9-20-27-19(11-12-30(5,6)36-27)25(32)24-26(33)23-22(13-16(3)4)34-21-14-17(31)8-10-18(21)28(23)35-29(20)24/h7-8,10-14,22,31-32H,9H2,1-6H3"	CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)C(OC5=C4C=CC(=C5)O)C=C(C)C)O)C=CC(O2)(C)C)C	NECAWZYXMSKYRB-UHFFFAOYSA-N
DG62750	Artelasticin	5471311	"Artelasticin; 182052-13-7; NSC710342; CHEMBL1985303; DTXSID20420221; LMPK12110905; NSC-710342; NCI60_038827; 4H-1-Benzopyran-4-one,4-dihydroxyophenyl)-5,7-dihydroxy-3,6,8-tris(3-methyl-2-butenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710342	.	.	.	.	490.6	C30H34O6	107	916	8.1	36	4	6	7	"InChI=1S/C30H34O6/c1-16(2)7-11-21-26(33)22(12-8-17(3)4)30-25(27(21)34)28(35)23(13-9-18(5)6)29(36-30)20-14-10-19(31)15-24(20)32/h7-10,14-15,31-34H,11-13H2,1-6H3"	CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)CC=C(C)C)O)C	UEEBMAIKXXZTAU-UHFFFAOYSA-N
DG62751	Achilleol A	5471312	"Achilleol A; 125287-06-1; (1S,3R)-2,2-Dimethyl-4-methylene-3-((3E,7E,11E)-3,8,12,16-tetramethyl-heptadeca-3,7,11,15-tetraenyl)-cyclohexanol; ( )-Achilleol A; NSC710351; CHEMBL1977780; CHEBI:189410; NSC-710351; (1S,3R)-2,2-dimethyl-4-methylene-3-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohexanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710351	.	.	.	.	426.7	C30H50O	20.2	679	9.8	31	1	1	12	"InChI=1S/C30H50O/c1-23(2)13-11-16-25(4)18-12-17-24(3)14-9-10-15-26(5)19-21-28-27(6)20-22-29(31)30(28,7)8/h13-15,18,28-29,31H,6,9-12,16-17,19-22H2,1-5,7-8H3/b24-14+,25-18+,26-15+/t28-,29+/m1/s1"	CC(=CCC/C(=C/CC/C(=C/CC/C=C(\\C)/CC[C@@H]1C(=C)CC[C@@H](C1(C)C)O)/C)/C)C	ANKPMKKGZZQDIC-HJSIMFEZSA-N
DG62752	"N'-(Phenylthiocarbamoyl)-2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]thio]acetohydrazide"	5471321	"NSC710442; CHEMBL1998146; NSC-710442; NCI60_038872; N'-(Phenylthiocarbamoyl)-2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]thio]acetohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710442	.	.	.	.	519.6	C26H25N5O3S2	158	695	5	36	4	6	8	"InChI=1S/C26H25N5O3S2/c1-33-20-12-8-17(9-13-20)23-24(18-10-14-21(34-2)15-11-18)29-26(28-23)36-16-22(32)30-31-25(35)27-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,28,29)(H,30,32)(H2,27,31,35)"	COC1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NNC(=S)NC3=CC=CC=C3)C4=CC=C(C=C4)OC	KNMKIFLOUUCUAW-UHFFFAOYSA-N
DG62753	"(E,E,E)-4,5-Dibromo-octa-2,4,6-trienedioic acid diethyl ester"	5471322	"NSC710444; CHEMBL1993228; (E,E,E)-4,5-Dibromo-octa-2,4,6-trienedioic acid diethyl ester; MFCD11506684; NSC-710444; (2E,4E,6E)-4,5-Dibromo-2,4,6-octatrienedioic acid diethyl ester; 209344-28-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710444	.	.	.	.	382.04	C12H14Br2O4	52.6	348	3.2	18	0	4	8	"InChI=1S/C12H14Br2O4/c1-3-17-11(15)7-5-9(13)10(14)6-8-12(16)18-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6+,10-9+"	CCOC(=O)/C=C/C(=C(\\Br)/C=C/C(=O)OCC)/Br	JEAIMWLUSUWICZ-BISOHRNISA-N
DG62754	"7-sulfanyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one"	5471339	"NSC710584; CHEMBL1998646; AKOS006310480; NSC-710584; NCI60_038932; 7-sulfanyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710584	.	.	.	.	186.2	C4H2N4OS2	114	297	0.6	11	1	5	0	"InChI=1S/C4H2N4OS2/c9-2-1-5-6-3-8(2)7-4(10)11-3/h1H,(H,7,10)"	C1=NN=C2N(C1=O)NC(=S)S2	RXWFDBJXNWDJNP-UHFFFAOYSA-N
DG62755	"4-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-3-sulfanylidene-2H-1,2,4-triazin-5-one"	5471340	NSC710587; CHEMBL1969162; NSC-710587	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710587	.	.	.	.	409.8	C19H12ClN5O2S	110	766	3.6	28	1	5	2	"InChI=1S/C19H12ClN5O2S/c20-14-8-6-12(7-9-14)10-15-18(27)25(24-16(26)11-21-23-19(24)28)17(22-15)13-4-2-1-3-5-13/h1-11H,(H,23,28)/b15-10+"	C1=CC=C(C=C1)C2=N/C(=C/C3=CC=C(C=C3)Cl)/C(=O)N2N4C(=O)C=NNC4=S	XAHCRHYSFSKLJK-XNTDXEJSSA-N
DG62756	"(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one"	5471348	NSC710598; CHEMBL2005590; NSC-710598	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710598	.	.	.	.	382.5	C21H22N2O3S	76.4	572	4.9	27	0	5	6	"InChI=1S/C21H22N2O3S/c1-4-12-22-21-23(16-8-6-5-7-9-16)20(24)19(27-21)14-15-10-11-17(25-2)18(13-15)26-3/h5-11,13-14H,4,12H2,1-3H3/b19-14+,22-21 "	CCCN=C1N(C(=O)/C(=C\\C2=CC(=C(C=C2)OC)OC)/S1)C3=CC=CC=C3	WYNNAMQUFKBHFR-QTQSSRPMSA-N
DG62757	"[3,4,5-triacetyloxy-6-[(E)-2-(azidomethyl)-3-oxobut-1-enoxy]oxan-2-yl]methyl acetate"	5471355	NSC710716; CHEMBL1973252; NSC-710716	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710716	.	.	.	.	471.4	C19H25N3O11	155	850	1.6	33	0	13	14	"InChI=1S/C19H25N3O11/c1-9(23)14(6-21-22-20)7-29-19-18(32-13(5)27)17(31-12(4)26)16(30-11(3)25)15(33-19)8-28-10(2)24/h7,15-19H,6,8H2,1-5H3/b14-7+"	CC(=O)/C(=C/OC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)/CN=[N+]=[N-]	ODCCKXWHRKTOLQ-VGOFMYFVSA-N
DG62758	"(7Z)-6-(4-methoxyphenyl)-3-methyl-7-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	5471358	NSC710779; CHEMBL1986532; NSC-710779	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710779	.	.	.	.	459.5	C23H17N5O4S	137	773	5	33	0	8	4	"InChI=1S/C23H17N5O4S/c1-14-24-25-23-27(14)26-22(16-5-9-18(31-2)10-6-16)21(33-23)13-19-11-12-20(32-19)15-3-7-17(8-4-15)28(29)30/h3-13H,1-2H3/b21-13-"	CC1=NN=C2N1N=C(/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])/S2)C5=CC=C(C=C5)OC	AVYHEOSFYGSIEJ-BKUYFWCQSA-N
DG62759	"(7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methyl-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	5471359	NSC710780; CHEMBL1968885; NSC-710780	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710780	.	.	.	.	418.9	C22H15ClN4OS	81.5	645	5.8	29	0	5	3	"InChI=1S/C22H15ClN4OS/c1-14-24-25-22-27(14)26-21(16-5-3-2-4-6-16)20(29-22)13-18-11-12-19(28-18)15-7-9-17(23)10-8-15/h2-13H,1H3/b20-13-"	CC1=NN=C2N1N=C(/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl)/S2)C5=CC=CC=C5	KYHVFGRFVXAXDT-MOSHPQCFSA-N
DG62760	"Ethyl 3-(2,2-diethoxyethyl)amino-2-(1H-benzimidazol-2-yl) acrylate"	5471362	"NSC710857; CHEMBL1992983; SCHEMBL13037490; NSC-710857; Ethyl 3-(2,2-diethoxyethyl)amino-2-(1H-benzimidazol-2-yl) acrylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710857	.	.	.	.	347.4	C18H25N3O4	85.5	438	3.1	25	2	6	11	"InChI=1S/C18H25N3O4/c1-4-23-16(24-5-2)12-19-11-13(18(22)25-6-3)17-20-14-9-7-8-10-15(14)21-17/h7-11,16,19H,4-6,12H2,1-3H3,(H,20,21)/b13-11-"	CCOC(CN/C=C(/C1=NC2=CC=CC=C2N1)\\C(=O)OCC)OCC	SWJPPVWOTZQBML-QBFSEMIESA-N
DG62761	"Ethyl 3-(2-hydroxy-1,1-dimethylethyl)amino-2-(1H-benzimidazol-2-yl)acrylate"	5471364	"NSC710859; CHEMBL2006371; NSC-710859; Ethyl 3-(2-hydroxy-1,1-dimethylethyl)amino-2-(1H- benzimidazol-2-yl)acrylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710859	.	.	.	.	303.36	C16H21N3O3	87.2	423	2.4	22	3	5	7	"InChI=1S/C16H21N3O3/c1-4-22-15(21)11(9-17-16(2,3)10-20)14-18-12-7-5-6-8-13(12)19-14/h5-9,17,20H,4,10H2,1-3H3,(H,18,19)/b11-9-"	CCOC(=O)/C(=C\\NC(C)(C)CO)/C1=NC2=CC=CC=C2N1	WWNBXNWBUUZEFJ-LUAWRHEFSA-N
DG62762	Ethyl 3-(2-hydroxy-2-phenylethyl)amino-2-(1H-benzimidazol-2-yl)acrylate	5471365	NSC710860; CHEMBL1975285; NSC-710860; Ethyl 3-(2-hydroxy-2-phenylethyl)amino-2-(1H-benzimidazol-2-yl)acrylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710860	.	.	.	.	351.4	C20H21N3O3	87.2	491	3.3	26	3	5	8	"InChI=1S/C20H21N3O3/c1-2-26-20(25)15(19-22-16-10-6-7-11-17(16)23-19)12-21-13-18(24)14-8-4-3-5-9-14/h3-12,18,21,24H,2,13H2,1H3,(H,22,23)/b15-12-"	CCOC(=O)/C(=C\\NCC(C1=CC=CC=C1)O)/C2=NC3=CC=CC=C3N2	IQZMGWBRLZOIPT-QINSGFPZSA-N
DG62763	(2R) Ethyl 3-(2-hydroxypropyl)amino-2-(1H-benzimidazol-2-yl) acrylate	5471366	NSC710861; CHEMBL1988326; NSC-710861; (2R) Ethyl 3-(2-hydroxypropyl)amino-2-(1H-benzimidazol-2-yl) acrylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710861	.	.	.	.	289.33	C15H19N3O3	87.2	386	2.2	21	3	5	7	"InChI=1S/C15H19N3O3/c1-3-21-15(20)11(9-16-8-10(2)19)14-17-12-6-4-5-7-13(12)18-14/h4-7,9-10,16,19H,3,8H2,1-2H3,(H,17,18)/b11-9-/t10-/m1/s1"	CCOC(=O)/C(=C\\NC[C@@H](C)O)/C1=NC2=CC=CC=C2N1	ITOZSEGUHPGNNR-QLWWJYNRSA-N
DG62764	Ethyl 3-cyanoamino-2-(1H-benzimidazol-2-yl)acrylate	5471367	NSC710862; CHEMBL2005209; NSC-710862; Ethyl 3-cyanoamino-2-(1H-benzimidazol-2-yl)acrylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710862	.	.	.	.	256.26	C13H12N4O2	90.8	412	2.5	19	2	5	5	"InChI=1S/C13H12N4O2/c1-2-19-13(18)9(7-15-8-14)12-16-10-5-3-4-6-11(10)17-12/h3-7,15H,2H2,1H3,(H,16,17)/b9-7-"	CCOC(=O)/C(=C\\NC#N)/C1=NC2=CC=CC=C2N1	PFIIRGZGEJAIDE-CLFYSBASSA-N
DG62765	"Ethyl 3-(1,1-diemthylethyl)amino-2-(1H-benzimidazol-2-yl) acrylate"	5471368	"NSC710863; CHEMBL1995754; NSC-710863; Ethyl 3-(1,1-diemthylethyl)amino-2-(1H-benzimidazol-2-yl) acrylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710863	.	.	.	.	287.36	C16H21N3O2	67	401	3.5	21	2	4	6	"InChI=1S/C16H21N3O2/c1-5-21-15(20)11(10-17-16(2,3)4)14-18-12-8-6-7-9-13(12)19-14/h6-10,17H,5H2,1-4H3,(H,18,19)/b11-10-"	CCOC(=O)/C(=C\\NC(C)(C)C)/C1=NC2=CC=CC=C2N1	JTRAJTYBRPARLC-KHPPLWFESA-N
DG62766	"Ethyl 3-(1,1-dimethylethyl)amino-2-(benzoxazol-2-yl)acrylate"	5471370	"NSC710865; CHEMBL1979540; NSC-710865; Ethyl 3-(1,1-dimethylethyl)amino-2-(benzoxazol-2-yl)acrylate; alpha-[(E)-(tert-Butylamino)methylene]benzoxazole-2-acetic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710865	.	.	.	.	288.34	C16H20N2O3	64.4	401	3.8	21	1	5	6	"InChI=1S/C16H20N2O3/c1-5-20-15(19)11(10-17-16(2,3)4)14-18-12-8-6-7-9-13(12)21-14/h6-10,17H,5H2,1-4H3/b11-10-"	CCOC(=O)/C(=C\\NC(C)(C)C)/C1=NC2=CC=CC=C2O1	MLQLSUKECQXOOB-KHPPLWFESA-N
DG62767	NSC711012	5471387	"(1S,2S,13R,21R)-22-(cyclopropylmethyl)-16-methyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride; NSC711012; CHEMBL2005948; NSC-711012"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711012	.	.	.	.	449	C27H29ClN2O2	48.5	770	.	32	3	3	2	"InChI=1S/C27H28N2O2.ClH/c1-15-6-9-17-12-21-27(30)13-19-18-4-2-3-5-20(18)28-23(19)25-26(27,22(17)24(15)31-25)10-11-29(21)14-16-7-8-16;/h2-6,9,16,21,25,28,30H,7-8,10-14H2,1H3;1H/t21-,25+,26+,27-;/m1./s1"	CC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)C7=C(C5)C8=CC=CC=C8N7)O)C=C1.Cl	MZLIMMIQMUODBP-ZHXLFDHXSA-N
DG62768	NSC711014	5471391	"(1S,2S,14R,22R)-23-(cyclopropylmethyl)-17-methyl-15-oxa-12,23-diazaheptacyclo[14.9.1.01,14.02,22.04,13.06,11.020,26]hexacosa-4,6,8,10,12,16,18,20(26)-octaen-2-ol;hydrochloride; NSC711014; CHEMBL2001876; NSC-711014"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711014	.	.	.	.	461	C28H29ClN2O2	45.6	785	.	33	2	4	2	"InChI=1S/C28H28N2O2.ClH/c1-16-6-9-19-13-22-28(31)14-20-12-18-4-2-3-5-21(18)29-24(20)26-27(28,23(19)25(16)32-26)10-11-30(22)15-17-7-8-17;/h2-6,9,12,17,22,26,31H,7-8,10-11,13-15H2,1H3;1H/t22-,26+,27+,28-;/m1./s1"	CC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)C7=NC8=CC=CC=C8C=C7C5)O)C=C1.Cl	LPEYLPVLNIGVCD-UEKGEDQBSA-N
DG62769	NSC711018	5471398	"(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-(3-hydroxyphenyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride; NSC711018; CHEMBL1987350; NSC-711018"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711018	.	.	.	.	454	C26H28ClNO4	70	769	.	32	3	5	3	"InChI=1S/C26H27NO4.ClH/c28-18-3-1-2-16(12-18)19-7-6-17-13-21-26(30)9-8-20(29)24-25(26,22(17)23(19)31-24)10-11-27(21)14-15-4-5-15;/h1-3,6-7,12,15,21,24,28,30H,4-5,8-11,13-14H2;1H/t21-,24+,25+,26-;/m1./s1"	C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)C7=CC(=CC=C7)O)O5)O.Cl	UCKSPSIMHIITIH-IAFVTLROSA-N
DG62770	NSC711020	5471402	"(1S,2S,13R,21R)-16,22-dimethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride; NSC711020; CHEMBL1969615; NSC-711020"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711020	.	.	.	.	408.9	C24H25ClN2O2	48.5	686	.	29	3	3	0	"InChI=1S/C24H24N2O2.ClH/c1-13-7-8-14-11-18-24(27)12-16-15-5-3-4-6-17(15)25-20(16)22-23(24,9-10-26(18)2)19(14)21(13)28-22;/h3-8,18,22,25,27H,9-12H2,1-2H3;1H/t18-,22+,23+,24-;/m1./s1"	CC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4C)[C@@H](O2)C6=C(C5)C7=CC=CC=C7N6)O)C=C1.Cl	GFYXJOYXEJUCKB-IIKZURRYSA-N
DG62771	NSC711026	5471404	"1-[(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2-hydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-16-yl]ethanone; NSC711026; CHEMBL2004925; NSC-711026; NCI60_039045"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711026	.	.	.	.	440.5	C28H28N2O3	65.6	860	3.4	33	2	4	3	"InChI=1S/C28H28N2O3/c1-15(31)18-9-8-17-12-22-28(32)13-20-19-4-2-3-5-21(19)29-24(20)26-27(28,23(17)25(18)33-26)10-11-30(22)14-16-6-7-16/h2-5,8-9,16,22,26,29,32H,6-7,10-14H2,1H3/t22-,26+,27+,28-/m1/s1"	CC(=O)C1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)C7=C(C5)C8=CC=CC=C8N7)O)C=C1	ADUYWCQHBUMOPT-CSZVXOJQSA-N
DG62772	"(3E)-3-[(6-methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	5471407	NSC711062; CHEMBL2000238; AKOS005144843; NSC-711062	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711062	.	.	.	.	283.4	C15H13N3OS	72.2	452	2	20	1	3	1	"InChI=1S/C15H13N3OS/c1-9-13(18-6-7-20-15(18)16-9)8-11-10-4-2-3-5-12(10)17-14(11)19/h2-5,8H,6-7H2,1H3,(H,17,19)/b11-8+"	CC1=C(N2CCSC2=N1)/C=C/3\\C4=CC=CC=C4NC3=O	RUVXASPVCVHMNH-DHZHZOJOSA-N
DG62773	"(3E)-3-[(6-chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one"	5471409	NSC711064; CHEMBL1977430; AKOS005144795; NSC-711064	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711064	.	.	.	.	333.8	C15H12ClN3O2S	81.4	503	2.5	22	1	4	2	"InChI=1S/C15H12ClN3O2S/c1-21-8-2-3-11-9(6-8)10(14(20)17-11)7-12-13(16)18-15-19(12)4-5-22-15/h2-3,6-7H,4-5H2,1H3,(H,17,20)/b10-7+"	COC1=CC\\2=C(C=C1)NC(=O)/C2=C/C3=C(N=C4N3CCS4)Cl	OCLBXBKISVEMEB-JXMROGBWSA-N
DG62774	"(3E)-5-methoxy-3-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	5471411	NSC711066; CHEMBL1992927; AKOS005144805; NSC-711066	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711066	.	.	.	.	375.4	C21H17N3O2S	81.4	606	3.2	27	1	4	3	"InChI=1S/C21H17N3O2S/c1-26-14-7-8-17-15(11-14)16(20(25)22-17)12-18-19(13-5-3-2-4-6-13)23-21-24(18)9-10-27-21/h2-8,11-12H,9-10H2,1H3,(H,22,25)/b16-12+"	COC1=CC\\2=C(C=C1)NC(=O)/C2=C/C3=C(N=C4N3CCS4)C5=CC=CC=C5	JBLPDOGPZUCBDZ-FOWTUZBSSA-N
DG62775	"(3E)-4-chloro-3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	5471415	NSC711070; CHEMBL1976723; AKOS005145140; NSC-711070	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711070	.	.	.	.	336.2	C14H7Cl2N3OS	74.6	489	4.5	21	1	3	1	"InChI=1S/C14H7Cl2N3OS/c15-8-2-1-3-9-11(8)7(13(20)17-9)6-10-12(16)18-14-19(10)4-5-21-14/h1-6H,(H,17,20)/b7-6+"	C1=CC2=C(C(=C1)Cl)/C(=C\\C3=C(N=C4N3C=CS4)Cl)/C(=O)N2	KJMZTMKFPOBCDK-VOTSOKGWSA-N
DG62776	"(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	5471419	NSC711074; CHEMBL1987206; AKOS005145040; NSC-711074	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711074	.	.	.	.	295.4	C16H13N3OS	74.6	480	3.7	21	1	3	1	"InChI=1S/C16H13N3OS/c1-9-8-19-14(10(2)17-16(19)21-9)7-12-11-5-3-4-6-13(11)18-15(12)20/h3-8H,1-2H3,(H,18,20)/b12-7+"	CC1=CN2C(=C(N=C2S1)C)/C=C/3\\C4=CC=CC=C4NC3=O	RBDUSHBTNRHWGW-KPKJPENVSA-N
DG62777	"(3E)-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one"	5471421	NSC711076; CHEMBL1995980; AKOS005144981; NSC-711076	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711076	.	.	.	.	345.8	C16H12ClN3O2S	83.9	532	4.2	23	1	4	2	"InChI=1S/C16H12ClN3O2S/c1-8-7-20-13(14(17)19-16(20)23-8)6-11-10-5-9(22-2)3-4-12(10)18-15(11)21/h3-7H,1-2H3,(H,18,21)/b11-6+"	CC1=CN2C(=C(N=C2S1)Cl)/C=C/3\\C4=C(C=CC(=C4)OC)NC3=O	NWKUSGLWXLQPKG-IZZDOVSWSA-N
DG62778	"(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one"	5471422	NSC711077; CHEMBL1998993; AKOS005145022; NSC-711077	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711077	.	.	.	.	325.4	C17H15N3O2S	83.9	526	3.6	23	1	4	2	"InChI=1S/C17H15N3O2S/c1-9-8-20-15(10(2)18-17(20)23-9)7-13-12-6-11(22-3)4-5-14(12)19-16(13)21/h4-8H,1-3H3,(H,19,21)/b13-7+"	CC1=CN2C(=C(N=C2S1)C)/C=C/3\\C4=C(C=CC(=C4)OC)NC3=O	XUFZEPMSQVCWNC-NTUHNPAUSA-N
DG62779	"(3E)-4-chloro-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	5471424	NSC711079; CHEMBL1999448; AKOS005144980; NSC-711079	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711079	.	.	.	.	350.2	C15H9Cl2N3OS	74.6	517	4.9	22	1	3	1	"InChI=1S/C15H9Cl2N3OS/c1-7-6-20-11(13(17)19-15(20)22-7)5-8-12-9(16)3-2-4-10(12)18-14(8)21/h2-6H,1H3,(H,18,21)/b8-5+"	CC1=CN2C(=C(N=C2S1)Cl)/C=C/3\\C4=C(C=CC=C4Cl)NC3=O	OXZHKIHTFOQMLM-VMPITWQZSA-N
DG62780	"(3E)-5-chloro-3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	5471427	NSC711082; CHEMBL1991954; AKOS005145141; NSC-711082	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711082	.	.	.	.	336.2	C14H7Cl2N3OS	74.6	489	4.5	21	1	3	1	"InChI=1S/C14H7Cl2N3OS/c15-7-1-2-10-8(5-7)9(13(20)17-10)6-11-12(16)18-14-19(11)3-4-21-14/h1-6H,(H,17,20)/b9-6+"	C1=CC2=C(C=C1Cl)/C(=C\\C3=C(N=C4N3C=CS4)Cl)/C(=O)N2	SYVFVHQDJFUSLB-RMKNXTFCSA-N
DG62781	7-Hydroxycostunolide	5471440	"7-hydroxycostunolide; NSC711176; CHEMBL206443; CHEMBL1976955; NSC-711176; Cyclodeca[b]furan-2(3H)-one,4,5,8,9,11a-hexahydro-3a-hydroxy- 6,10-dimethyl-3-methylene-, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711176	.	.	.	.	248.32	C15H20O3	46.5	445	1.8	18	1	3	0	"InChI=1S/C15H20O3/c1-10-5-4-6-11(2)9-13-15(17,8-7-10)12(3)14(16)18-13/h5,9,13,17H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,15-/m1/s1"	C/C/1=C\\CC/C(=C/[C@@H]2[C@@](CC1)(C(=C)C(=O)O2)O)/C	AZKRCCHLNBJNOK-HZAIZTQPSA-N
DG62782	NSC711189	5471441	"ethyl (2Z)-2-cyano-2-(16-oxo-14-sulfanylidene-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaen-18-ylidene)acetate; NSC711189; CHEMBL1990270; NSC-711189; Cyano(8,9,10,11-tetrahydro-9-thioxo-11-oxo-12H-naphtho[1',2':5,6]pyrano[2,3-d]pyrimidine-12-ylidene)acetic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711189	.	.	.	.	391.4	C20H13N3O4S	133	853	2.5	28	2	6	3	"InChI=1S/C20H13N3O4S/c1-2-26-19(25)12(9-21)15-14-11-6-4-3-5-10(11)7-8-13(14)27-18-16(15)17(24)22-20(28)23-18/h3-8H,2H2,1H3,(H2,22,23,24,28)/b15-12-"	CCOC(=O)/C(=C\\1/C2=C(C=CC3=CC=CC=C32)OC4=C1C(=O)NC(=S)N4)/C#N	MLRWTQDSHPWAQG-QINSGFPZSA-N
DG62783	"4-methoxy-2-phenyl-1H-pyrrolo[2,3-d]pyridazine"	5471457	NSC711312; CHEMBL1975170; NSC-711312; NCI60_039108	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711312	.	.	.	.	225.25	C13H11N3O	50.8	255	1.9	17	1	3	2	"InChI=1S/C13H11N3O/c1-17-13-10-7-11(9-5-3-2-4-6-9)15-12(10)8-14-16-13/h2-8,15H,1H3"	COC1=C2C=C(NC2=CN=N1)C3=CC=CC=C3	XBUJBNGRWIIGKJ-UHFFFAOYSA-N
DG62784	(3E)-3-[(2-chloro-1-phenylindol-3-yl)methylidene]-5-methoxy-1H-indol-2-one	5471470	NSC711610; CHEMBL88404; AKOS005145461; NSC-711610	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711610	.	.	.	.	400.9	C24H17ClN2O2	43.3	647	5.6	29	1	2	3	"InChI=1S/C24H17ClN2O2/c1-29-16-11-12-21-18(13-16)20(24(28)26-21)14-19-17-9-5-6-10-22(17)27(23(19)25)15-7-3-2-4-8-15/h2-14H,1H3,(H,26,28)/b20-14+"	COC1=CC\\2=C(C=C1)NC(=O)/C2=C/C3=C(N(C4=CC=CC=C43)C5=CC=CC=C5)Cl	WPJLEHXKBRHDPX-XSFVSMFZSA-N
DG62785	(3E)-3-[(2-chloro-1-phenylindol-3-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one	5471471	NSC711611; CHEMBL315605; AKOS005145471; NSC-711611	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711611	.	.	.	.	414.9	C25H19ClN2O2	43.3	676	5.9	30	1	2	3	"InChI=1S/C25H19ClN2O2/c1-15-12-21-18(14-23(15)30-2)20(25(29)27-21)13-19-17-10-6-7-11-22(17)28(24(19)26)16-8-4-3-5-9-16/h3-14H,1-2H3,(H,27,29)/b20-13+"	CC1=CC2=C(C=C1OC)/C(=C\\C3=C(N(C4=CC=CC=C43)C5=CC=CC=C5)Cl)/C(=O)N2	OHJQCJWNJKPXDO-DEDYPNTBSA-N
DG62786	"3-(2-Chloro-5-methoxy-1H-indol-3-ylmethylene)-5-methoxy-6-methyl-1,3-dihydro-indol-2-one"	5471473	"CHEMBL88431; NSC711613; BDBM50114099; AKOS005145093; NSC-711613; 3-(2-Chloro-5-methoxy-1H-indol-3-ylmethylene)-5-methoxy-6-methyl-1,3-dihydro-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711613	.	.	.	.	368.8	C20H17ClN2O3	63.4	583	4.3	26	2	3	3	"InChI=1S/C20H17ClN2O3/c1-10-6-17-13(9-18(10)26-3)15(20(24)23-17)8-14-12-7-11(25-2)4-5-16(12)22-19(14)21/h4-9,22H,1-3H3,(H,23,24)/b15-8+"	CC1=CC2=C(C=C1OC)/C(=C\\C3=C(NC4=C3C=C(C=C4)OC)Cl)/C(=O)N2	FBUJSIPNYSGTNE-OVCLIPMQSA-N
DG62787	(3E)-3-[(2-chloro-5-methoxy-1H-indol-3-yl)methylidene]-1-phenylindol-2-one	5471475	NSC711615; CHEMBL91034; AKOS005145092; NSC-711615	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711615	.	.	.	.	400.9	C24H17ClN2O2	45.3	647	5.7	29	1	2	3	"InChI=1S/C24H17ClN2O2/c1-29-16-11-12-21-18(13-16)19(23(25)26-21)14-20-17-9-5-6-10-22(17)27(24(20)28)15-7-3-2-4-8-15/h2-14,26H,1H3/b20-14+"	COC1=CC2=C(C=C1)NC(=C2/C=C/3\\C4=CC=CC=C4N(C3=O)C5=CC=CC=C5)Cl	AZMNBIRHCBFPMU-XSFVSMFZSA-N
DG62788	(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one	5471476	NSC711616; CHEMBL329430; NSC-711616	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711616	.	.	.	.	338.8	C19H15ClN2O2	54.1	538	4.3	24	2	2	2	"InChI=1S/C19H15ClN2O2/c1-10-7-16-12(9-17(10)24-2)13(18(20)21-16)8-14-11-5-3-4-6-15(11)22-19(14)23/h3-9,21H,1-2H3,(H,22,23)/b14-8+"	CC1=CC2=C(C=C1OC)C(=C(N2)Cl)/C=C/3\\C4=CC=CC=C4NC3=O	HLQZLTFBZSHQAM-RIYZIHGNSA-N
DG62789	(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one	5471477	NSC711617; CHEMBL91838; AKOS005145264; NSC-711617	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711617	.	.	.	.	368.8	C20H17ClN2O3	63.4	583	4.3	26	2	3	3	"InChI=1S/C20H17ClN2O3/c1-10-6-17-13(9-18(10)26-3)14(19(21)22-17)8-15-12-7-11(25-2)4-5-16(12)23-20(15)24/h4-9,22H,1-3H3,(H,23,24)/b15-8+"	CC1=CC2=C(C=C1OC)C(=C(N2)Cl)/C=C/3\\C4=C(C=CC(=C4)OC)NC3=O	JARQRNKMCPAXLT-OVCLIPMQSA-N
DG62790	(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one	5471478	NSC711618; CHEMBL330338; AKOS005145277; NSC-711618	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711618	.	.	.	.	382.8	C21H19ClN2O3	63.4	612	4.7	27	2	3	3	"InChI=1S/C21H19ClN2O3/c1-10-5-16-12(8-18(10)26-3)14(20(22)23-16)7-15-13-9-19(27-4)11(2)6-17(13)24-21(15)25/h5-9,23H,1-4H3,(H,24,25)/b15-7+"	CC1=CC2=C(C=C1OC)/C(=C\\C3=C(NC4=C3C=C(C(=C4)C)OC)Cl)/C(=O)N2	QSXUXHMUBGNSAC-VIZOYTHASA-N
DG62791	(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one	5471479	NSC711619; CHEMBL91516; AKOS005145269; NSC-711619	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711619	.	.	.	.	352.8	C20H17ClN2O2	45.3	566	4.5	25	1	2	2	"InChI=1S/C20H17ClN2O2/c1-11-8-16-13(10-18(11)25-3)14(19(21)22-16)9-15-12-6-4-5-7-17(12)23(2)20(15)24/h4-10,22H,1-3H3/b15-9+"	CC1=CC2=C(C=C1OC)C(=C(N2)Cl)/C=C/3\\C4=CC=CC=C4N(C3=O)C	VEPNCWKOLANJBP-OQLLNIDSSA-N
DG62792	(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-phenylindol-2-one	5471480	NSC711620; CHEMBL89892; AKOS005145270; NSC-711620	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711620	.	.	.	.	414.9	C25H19ClN2O2	45.3	676	6.1	30	1	2	3	"InChI=1S/C25H19ClN2O2/c1-15-12-21-18(14-23(15)30-2)19(24(26)27-21)13-20-17-10-6-7-11-22(17)28(25(20)29)16-8-4-3-5-9-16/h3-14,27H,1-2H3/b20-13+"	CC1=CC2=C(C=C1OC)C(=C(N2)Cl)/C=C/3\\C4=CC=CC=C4N(C3=O)C5=CC=CC=C5	KSEYYHWPPBJGQK-DEDYPNTBSA-N
DG62793	"(1R,5S,7R)-5-methoxy-2,2-dimethyl-4-phenyl-6-thia-4-azatricyclo[5.4.0.01,5]undecan-3-one"	5471482	NSC711628; CHEMBL1985906; NSC-711628; NCI60_039144	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711628	.	.	.	.	317.4	C18H23NO2S	54.8	488	3.8	22	0	3	2	"InChI=1S/C18H23NO2S/c1-16(2)15(20)19(13-9-5-4-6-10-13)18(21-3)17(16)12-8-7-11-14(17)22-18/h4-6,9-10,14H,7-8,11-12H2,1-3H3/t14-,17+,18+/m1/s1"	CC1(C(=O)N([C@@]2([C@]13CCCC[C@H]3S2)OC)C4=CC=CC=C4)C	CIYDTNOVSIKQLU-JLSDUUJJSA-N
DG62794	"1-[3-(Diethylamino)propylamino]-4-methyl-5H-pyridazino[4,5-b]indole"	5471483	"NSC711659; CHEMBL1979964; NSC-711659; 1-[3-(Diethylamino)propylamino]-4-methyl-5H-pyridazino[4,5-b]indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711659	.	.	.	.	347.9	C18H26ClN5	56.8	359	.	24	3	4	7	"InChI=1S/C18H25N5.ClH/c1-4-23(5-2)12-8-11-19-18-16-14-9-6-7-10-15(14)20-17(16)13(3)21-22-18;/h6-7,9-10,20H,4-5,8,11-12H2,1-3H3,(H,19,22);1H"	CCN(CC)CCCNC1=C2C3=CC=CC=C3NC2=C(N=N1)C.Cl	DFZIHUAJYDGKTI-UHFFFAOYSA-N
DG62795	"[2,6-bis[(Z)-2-(4-methoxyphenyl)-1-phenylethenyl]-3,5-dimethylphenyl]-(3,5-dimethylphenyl)diazene"	5471486	NSC711661; CHEMBL1974742; NSC-711661	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711661	.	.	.	.	654.8	C46H42N2O2	43.2	1020	13.4	50	0	4	10	"InChI=1S/C46H42N2O2/c1-31-25-32(2)27-39(26-31)47-48-46-44(42(37-13-9-7-10-14-37)29-35-17-21-40(49-5)22-18-35)33(3)28-34(4)45(46)43(38-15-11-8-12-16-38)30-36-19-23-41(50-6)24-20-36/h7-30H,1-6H3/b42-29-,43-30-,48-47 "	CC1=CC(=CC(=C1)N=NC2=C(C(=CC(=C2/C(=C\\C3=CC=C(C=C3)OC)/C4=CC=CC=C4)C)C)/C(=C\\C5=CC=C(C=C5)OC)/C6=CC=CC=C6)C	HXECOXYHKBCOEE-WZBCLHGCSA-N
DG62796	"(3E,6E)-3-benzylidene-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione"	5471488	NSC711720; SCHEMBL4720439; CHEMBL1981003; NSC-711720	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711720	.	.	.	.	397.4	C24H19N3O3	80.3	675	3.4	30	2	4	5	"InChI=1S/C24H19N3O3/c28-23-21(13-17-7-3-1-4-8-17)26-24(29)22(27-23)14-19-11-12-20(15-25-19)30-16-18-9-5-2-6-10-18/h1-15H,16H2,(H,26,29)(H,27,28)/b21-13+,22-14+"	C1=CC=C(C=C1)COC2=CN=C(C=C2)/C=C/3\\C(=O)N/C(=C/C4=CC=CC=C4)/C(=O)N3	VWXCKVBYLVZUDU-JFMUQQRKSA-N
DG62797	"(3E,6E)-3-[(4-hydroxyphenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione"	5471489	NSC711721; CHEMBL1994428; SCHEMBL14371041; NSC-711721	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711721	.	.	.	.	413.4	C24H19N3O4	101	706	3	31	3	5	5	"InChI=1S/C24H19N3O4/c28-19-9-6-16(7-10-19)12-21-23(29)27-22(24(30)26-21)13-18-8-11-20(14-25-18)31-15-17-4-2-1-3-5-17/h1-14,28H,15H2,(H,26,30)(H,27,29)/b21-12+,22-13+"	C1=CC=C(C=C1)COC2=CN=C(C=C2)/C=C/3\\C(=O)N/C(=C/C4=CC=C(C=C4)O)/C(=O)N3	VMRWAZNKRMHWEJ-ADYPVIEZSA-N
DG62798	"(5E)-1,3-dibromo-5-(pyridin-3-ylmethylidene)-6-pyrrol-1-yl-6H-cyclopenta[c]thiophen-4-one"	5471491	NSC711742; CHEMBL1998831; NSC-711742	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711742	.	.	.	.	450.1	C17H10Br2N2OS	63.1	509	4.6	23	0	3	2	"InChI=1S/C17H10Br2N2OS/c18-16-12-13(17(19)23-16)15(22)11(8-10-4-3-5-20-9-10)14(12)21-6-1-2-7-21/h1-9,14H/b11-8+"	C1=CN(C=C1)C2/C(=C\\C3=CN=CC=C3)/C(=O)C4=C(SC(=C24)Br)Br	IERTUMHWBBOQKJ-DHZHZOJOSA-N
DG62799	"(5E)-1,3-dibromo-5-(pyridin-4-ylmethylidene)-6-pyrrol-1-yl-6H-cyclopenta[c]thiophen-4-one"	5471492	NSC711743; CHEMBL1992593; NSC-711743	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711743	.	.	.	.	450.1	C17H10Br2N2OS	63.1	503	4.6	23	0	3	2	"InChI=1S/C17H10Br2N2OS/c18-16-12-13(17(19)23-16)15(22)11(9-10-3-5-20-6-4-10)14(12)21-7-1-2-8-21/h1-9,14H/b11-9+"	C1=CN(C=C1)C2/C(=C\\C3=CC=NC=C3)/C(=O)C4=C(SC(=C24)Br)Br	SXNMNSKBROQVNI-PKNBQFBNSA-N
DG62800	"3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-1H-quinoxalin-2-one"	5471500	NSC711796; CHEMBL1984908; NSC-711796	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711796	.	.	.	.	334.3	C19H14N2O4	77	600	2.4	25	1	5	4	"InChI=1S/C19H14N2O4/c22-13(7-5-12-6-8-17-18(9-12)25-11-24-17)10-16-19(23)21-15-4-2-1-3-14(15)20-16/h1-9H,10-11H2,(H,21,23)/b7-5+"	C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)CC3=NC4=CC=CC=C4NC3=O	IGIYSIDROLFIRI-FNORWQNLSA-N
DG62801	"3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-1H-pyrido[2,3-b]pyrazin-2-one"	5471501	NSC711797; CHEMBL1971846; NSC-711797	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711797	.	.	.	.	335.3	C18H13N3O4	89.9	603	1.7	25	1	6	4	"InChI=1S/C18H13N3O4/c22-12(5-3-11-4-6-15-16(8-11)25-10-24-15)9-14-18(23)21-13-2-1-7-19-17(13)20-14/h1-8H,9-10H2,(H,21,23)/b5-3+"	C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)CC3=NC4=C(C=CC=N4)NC3=O	HROOUURCHFOUSE-HWKANZROSA-N
DG62802	"(5Z)-3-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one"	5471513	NSC711826; CHEMBL1999955; NSC-711826	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711826	.	.	.	.	487.5	C26H21N3O5S	122	832	5.1	35	1	8	6	"InChI=1S/C26H21N3O5S/c1-32-19-11-12-20(33-2)23-22(19)28-26(35-23)29-24(16-7-5-4-6-8-16)27-17(25(29)31)13-15-9-10-18(30)21(14-15)34-3/h4-14,30H,1-3H3/b17-13-"	COC1=C2C(=C(C=C1)OC)SC(=N2)N3C(=N/C(=C\\C4=CC(=C(C=C4)O)OC)/C3=O)C5=CC=CC=C5	MOIZUZOHGFZSGR-LGMDPLHJSA-N
DG62803	"(5Z)-5-[(4-chlorophenyl)methylidene]-3-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one"	5471530	NSC711844; CHEMBL1989488; NSC-711844	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711844	.	.	.	.	484.8	C23H12Cl3N3OS	73.8	748	7.4	31	0	4	3	InChI=1S/C23H12Cl3N3OS/c24-15-8-6-13(7-9-15)10-18-22(30)29(21(27-18)14-4-2-1-3-5-14)23-28-20-17(26)11-16(25)12-19(20)31-23/h1-12H/b18-10-	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=C(C=C3)Cl)/C(=O)N2C4=NC5=C(S4)C=C(C=C5Cl)Cl	YMXPXRJMDAJEOH-ZDLGFXPLSA-N
DG62804	"(5Z)-3-(4,6-dichloro-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one"	5471532	NSC711846; CHEMBL1968582; NSC-711846	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711846	.	.	.	.	496.4	C24H15Cl2N3O3S	103	806	6.4	33	1	6	4	"InChI=1S/C24H15Cl2N3O3S/c1-32-19-10-13(7-8-18(19)30)9-17-23(31)29(22(27-17)14-5-3-2-4-6-14)24-28-21-16(26)11-15(25)12-20(21)33-24/h2-12,30H,1H3/b17-9-"	COC1=C(C=CC(=C1)/C=C\\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(S4)C=C(C=C5Cl)Cl)O	ZTHXONLHSQWQRH-MFOYZWKCSA-N
DG62805	"(5Z)-3-(4,6-dichloro-1,3-benzothiazol-2-yl)-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one"	5471534	NSC711848; CHEMBL1989382; NSC-711848	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711848	.	.	.	.	454.3	C22H13Cl2N3O2S	86.9	727	6.2	30	0	5	4	"InChI=1S/C22H13Cl2N3O2S/c23-14-11-16(24)19-18(12-14)30-22(26-19)27-20(13-5-2-1-3-6-13)25-17(21(27)28)9-8-15-7-4-10-29-15/h1-7,9-12H,8H2/b17-9-"	C1=CC=C(C=C1)C2=N/C(=C\\CC3=CC=CO3)/C(=O)N2C4=NC5=C(S4)C=C(C=C5Cl)Cl	DDQUFOMFABQQPS-MFOYZWKCSA-N
DG62806	"(5Z)-3-(4,6-dichloro-1,3-benzothiazol-2-yl)-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one"	5471536	NSC711850; CHEMBL1973848; NSC-711850	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711850	.	.	.	.	493.4	C25H18Cl2N4OS	77	791	6.9	33	0	5	4	"InChI=1S/C25H18Cl2N4OS/c1-30(2)18-10-8-15(9-11-18)12-20-24(32)31(23(28-20)16-6-4-3-5-7-16)25-29-22-19(27)13-17(26)14-21(22)33-25/h3-14H,1-2H3/b20-12-"	CN(C)C1=CC=C(C=C1)/C=C\\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(S4)C=C(C=C5Cl)Cl	UDTSWQOKFUZJFX-NDENLUEZSA-N
DG62807	"(5Z)-3-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one"	5471538	NSC711852; CHEMBL2001137; NSC-711852	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711852	.	.	.	.	482.4	C23H13Cl2N3OS2	74.8	757	6.9	31	1	5	3	"InChI=1S/C23H13Cl2N3OS2/c24-15-11-16(25)20-19(12-15)31-23(27-20)28-21(13-6-2-1-3-7-13)26-17(22(28)29)10-14-8-4-5-9-18(14)30/h1-12,30H/b17-10-"	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=CC=C3S)/C(=O)N2C4=NC5=C(S4)C=C(C=C5Cl)Cl	UOKWSWLSESHUQD-YVLHZVERSA-N
DG62808	"(5Z)-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one"	5471541	NSC711855; CHEMBL1996410; NSC-711855	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711855	.	.	.	.	499.6	C28H25N3O4S	102	846	6.2	36	0	7	6	"InChI=1S/C28H25N3O4S/c1-16-11-20-24(12-17(16)2)36-28(30-20)31-26(19-9-7-6-8-10-19)29-21(27(31)32)13-18-14-22(33-3)25(35-5)23(15-18)34-4/h6-15H,1-5H3/b21-13-"	CC1=CC2=C(C=C1C)SC(=N2)N3C(=N/C(=C\\C4=CC(=C(C(=C4)OC)OC)OC)/C3=O)C5=CC=CC=C5	IYLZZIJCIKEFCH-BKUYFWCQSA-N
DG62809	"(5Z)-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one"	5471542	NSC711856; CHEMBL1987808; NSC-711856	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711856	.	.	.	.	455.5	C26H21N3O3S	103	796	5.9	33	1	6	4	"InChI=1S/C26H21N3O3S/c1-15-11-19-23(12-16(15)2)33-26(28-19)29-24(18-7-5-4-6-8-18)27-20(25(29)31)13-17-9-10-21(30)22(14-17)32-3/h4-14,30H,1-3H3/b20-13-"	CC1=CC2=C(C=C1C)SC(=N2)N3C(=N/C(=C\\C4=CC(=C(C=C4)O)OC)/C3=O)C5=CC=CC=C5	UEJIZWXALABPCL-MOSHPQCFSA-N
DG62810	"(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one"	5471546	NSC711860; CHEMBL2006556; NSC-711860	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711860	.	.	.	.	452.6	C27H24N4OS	77	781	6.4	33	0	5	4	"InChI=1S/C27H24N4OS/c1-17-14-22-24(15-18(17)2)33-27(29-22)31-25(20-8-6-5-7-9-20)28-23(26(31)32)16-19-10-12-21(13-11-19)30(3)4/h5-16H,1-4H3/b23-16-"	CC1=CC2=C(C=C1C)SC(=N2)N3C(=N/C(=C\\C4=CC=C(C=C4)N(C)C)/C3=O)C5=CC=CC=C5	WWBRZORRLLDPIU-KQWNVCNZSA-N
DG62811	(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one	5471552	NSC711866; CHEMBL1968298; NSC-711866	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711866	.	.	.	.	518.6	C30H22N4O3S	116	900	6.3	38	2	6	6	"InChI=1S/C30H22N4O3S/c1-37-27-17-19(12-15-26(27)35)16-25-29(36)34(28(31-25)20-8-4-2-5-9-20)30-32-23-14-13-22(18-24(23)33-30)38-21-10-6-3-7-11-21/h2-18,35H,1H3,(H,32,33)/b25-16-"	COC1=C(C=CC(=C1)/C=C\\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(N4)C=C(C=C5)SC6=CC=CC=C6)O	VTONFJQVTRIKAX-XYGWBWBKSA-N
DG62812	(5Z)-5-[(3-nitrophenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one	5471553	NSC711867; CHEMBL1978294; NSC-711867	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711867	.	.	.	.	517.6	C29H19N5O3S	133	939	6.5	38	1	6	5	"InChI=1S/C29H19N5O3S/c35-28-26(17-19-8-7-11-21(16-19)34(36)37)30-27(20-9-3-1-4-10-20)33(28)29-31-24-15-14-23(18-25(24)32-29)38-22-12-5-2-6-13-22/h1-18H,(H,31,32)/b26-17-"	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC(=CC=C3)[N+](=O)[O-])/C(=O)N2C4=NC5=C(N4)C=C(C=C5)SC6=CC=CC=C6	AKOKPFRPVNDJHL-ONUIUJJFSA-N
DG62813	NSC711880	5471566	(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[7-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenylimidazol-4-one; NSC711880; CHEMBL1968671; NSC-711880	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711880	.	.	.	.	777.9	C48H39N7O2S	109	1490	9.5	58	1	8	8	"InChI=1S/C48H39N7O2S/c1-52(2)35-19-15-31(16-20-35)27-41-47(56)54(45(50-41)33-11-7-5-8-12-33)37-23-25-39-43(29-37)58-44-30-38(24-26-40(44)49-39)55-46(34-13-9-6-10-14-34)51-42(48(55)57)28-32-17-21-36(22-18-32)53(3)4/h5-30,49H,1-4H3/b41-27-,42-28-"	CN(C1=CC=C(C=C1)/C=C/2\\N=C(N(C2=O)C3=CC4=C(NC5=C(S4)C=C(C=C5)N6C(=O)/C(=C/C7=CC=C(C=C7)N(C)C)/N=C6C8=CC=CC=C8)C=C3)C9=CC=CC=C9)C	KKQDOLKSQWBUAD-HEPSPIFKSA-N
DG62814	NSC711885	5471570	"(5Z)-3-[4-benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one; NSC711885; CHEMBL1982678; NSC-711885"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711885	.	.	.	.	854.9	C51H42N4O9	138	1730	8.7	64	0	11	14	"InChI=1S/C51H42N4O9/c1-59-41-26-31(27-42(60-2)46(41)63-5)24-37-50(57)54(48(52-37)34-18-12-8-13-19-34)39-23-22-36(45(56)33-16-10-7-11-17-33)30-40(39)55-49(35-20-14-9-15-21-35)53-38(51(55)58)25-32-28-43(61-3)47(64-6)44(29-32)62-4/h7-30H,1-6H3/b37-24-,38-25-"	COC1=CC(=CC(=C1OC)OC)/C=C\\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)N6C(=N/C(=C\\C7=CC(=C(C(=C7)OC)OC)OC)/C6=O)C8=CC=CC=C8	LFOHZZXDRVDFKR-TUPMYYBFSA-N
DG62815	NSC711887	5471572	(5Z)-3-[4-benzoyl-2-[(4Z)-4-[(3-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one; NSC711887; CHEMBL2000076; NSC-711887	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711887	.	.	.	.	764.7	C45H28N6O7	174	1710	8.5	58	0	9	8	"InChI=1S/C45H28N6O7/c52-41(31-14-4-1-5-15-31)34-22-23-39(48-42(32-16-6-2-7-17-32)46-37(44(48)53)26-29-12-10-20-35(24-29)50(55)56)40(28-34)49-43(33-18-8-3-9-19-33)47-38(45(49)54)27-30-13-11-21-36(25-30)51(57)58/h1-28H/b37-26-,38-27-"	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC(=CC=C3)[N+](=O)[O-])/C(=O)N2C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)N6C(=N/C(=C\\C7=CC(=CC=C7)[N+](=O)[O-])/C6=O)C8=CC=CC=C8	UIXFFDXDKNMGMH-AHIPKILKSA-N
DG62816	NSC711889	5471574	(5Z)-3-[4-benzoyl-2-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one; NSC711889; NSC-711889	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711889	.	.	.	.	766.9	C47H34N4O3S2	133	1540	9.9	56	0	7	10	"InChI=1S/C47H34N4O3S2/c1-55-37-23-18-31(19-24-37)28-39-46(53)50(44(48-39)34-14-8-4-9-15-34)41-27-22-36(43(52)33-12-6-3-7-13-33)30-42(41)51-45(35-16-10-5-11-17-35)49-40(47(51)54)29-32-20-25-38(56-2)26-21-32/h3-30H,1-2H3/b39-28-,40-29-"	CSC1=CC=C(C=C1)/C=C\\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)N6C(=N/C(=C\\C7=CC=C(C=C7)SC)/C6=O)C8=CC=CC=C8	UMRRTVAWQOCNPX-KYXNYYCHSA-N
DG62817	NSC711890	5471575	(5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one; NSC711890; NSC-711890	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711890	.	.	.	.	760.9	C49H40N6O3	88.9	1590	9.1	58	0	7	10	"InChI=1S/C49H40N6O3/c1-52(2)39-25-20-33(21-26-39)30-41-48(57)54(46(50-41)36-16-10-6-11-17-36)43-29-24-38(45(56)35-14-8-5-9-15-35)32-44(43)55-47(37-18-12-7-13-19-37)51-42(49(55)58)31-34-22-27-40(28-23-34)53(3)4/h5-32H,1-4H3/b41-30-,42-31-"	CN(C)C1=CC=C(C=C1)/C=C\\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)N6C(=N/C(=C\\C7=CC=C(C=C7)N(C)C)/C6=O)C8=CC=CC=C8	AOCFQRXMYDTEMK-BAUNQOMESA-N
DG62818	Euplexide D	5471619	Euplexide D; NSC712183; CHEMBL2006453; NSC-712183	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712183	.	.	.	.	632.7	C34H48O11	155	1060	5.2	45	2	11	18	"InChI=1S/C34H48O11/c1-19(2)14-27(38)15-21(4)11-9-10-20(3)12-13-26-17-28(39)22(5)16-29(26)44-34-31(40)33(43-25(8)37)32(42-24(7)36)30(45-34)18-41-23(6)35/h11-12,16-17,19,30-34,39-40H,9-10,13-15,18H2,1-8H3/b20-12+,21-11+"	CC1=CC(=C(C=C1O)C/C=C(\\C)/CC/C=C(\\C)/CC(=O)CC(C)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)O	NDOBUHYJZUGCSU-OMTKTPHQSA-N
DG62819	"[3,4,5-Triacetyloxy-6-[2-amino-3,5-dicyano-4-(4-methylphenyl)-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate"	5471623	NSC712237; CHEMBL1988816; NSC-712237; NCI60_039319	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712237	.	.	.	.	596.6	C28H28N4O9S	223	1310	1.6	42	1	13	11	"InChI=1S/C28H28N4O9S/c1-13-6-8-18(9-7-13)22-19(10-29)26(31)32(28(42)20(22)11-30)27-25(40-17(5)36)24(39-16(4)35)23(38-15(3)34)21(41-27)12-37-14(2)33/h6-9,21,23-25,27H,12,31H2,1-5H3"	CC1=CC=C(C=C1)C2=C(C(=S)N(C(=C2C#N)N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N	NWOWESBZSPBYHW-UHFFFAOYSA-N
DG62820	"[3,4,5-triacetyloxy-6-[(3Z)-4-amino-3-[(4-methoxyphenyl)methylidene]-2-oxo-1,5-benzodiazepin-1-yl]oxan-2-yl]methyl acetate"	5471626	NSC712243; CHEMBL1996655; NSC-712243	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712243	.	.	.	.	623.6	C31H33N3O11	182	1200	1.7	45	1	12	12	"InChI=1S/C31H33N3O11/c1-16(35)41-15-25-26(42-17(2)36)27(43-18(3)37)28(44-19(4)38)31(45-25)34-24-9-7-6-8-23(24)33-29(32)22(30(34)39)14-20-10-12-21(40-5)13-11-20/h6-14,25-28,31H,15H2,1-5H3,(H2,32,33)/b22-14-"	CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3N=C(/C(=C/C4=CC=C(C=C4)OC)/C2=O)N)OC(=O)C)OC(=O)C)OC(=O)C	DGRVFHVUVWKEBH-HMAPJEAMSA-N
DG62821	"[3,4,5-triacetyloxy-6-[(3Z)-4-amino-3-[(4-chlorophenyl)methylidene]-2-oxo-1,5-benzodiazepin-1-yl]oxan-2-yl]methyl acetate"	5471627	NSC712244; CHEMBL2000229; NSC-712244	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712244	.	.	.	.	628	C30H30ClN3O10	173	1180	2.4	44	1	11	11	"InChI=1S/C30H30ClN3O10/c1-15(35)40-14-24-25(41-16(2)36)26(42-17(3)37)27(43-18(4)38)30(44-24)34-23-8-6-5-7-22(23)33-28(32)21(29(34)39)13-19-9-11-20(31)12-10-19/h5-13,24-27,30H,14H2,1-4H3,(H2,32,33)/b21-13-"	CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3N=C(/C(=C/C4=CC=C(C=C4)Cl)/C2=O)N)OC(=O)C)OC(=O)C)OC(=O)C	SCNBKTQYBHFIKC-BKUYFWCQSA-N
DG62822	NSC712733	5471657	"1-[(Z)-1,2-Diphenyl-2-[[(Z)-1-(methoxycarbonyl)-3-oxo-3-methoxy-1-propenyl]thio]ethenyl]-1H-pyrazole-3,4-dicarboxylic acid dimethyl ester; NSC712733; NSC-712733; 1-[(Z)-1,2-Diphenyl-2-[[(Z)-1-(methoxycarbonyl)-3-oxo-3-methoxy-1-propenyl]thio]ethenyl]-1H-pyrazole-3,4-dicarboxylic acid dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712733	.	.	.	.	536.6	C27H24N2O8S	148	937	4.4	38	0	10	13	"InChI=1S/C27H24N2O8S/c1-34-21(30)15-20(26(32)36-3)38-24(18-13-9-6-10-14-18)23(17-11-7-5-8-12-17)29-16-19(25(31)35-2)22(28-29)27(33)37-4/h5-16H,1-4H3/b20-15-,24-23-"	COC(=O)/C=C(/C(=O)OC)\\S/C(=C(/C1=CC=CC=C1)\\N2C=C(C(=N2)C(=O)OC)C(=O)OC)/C3=CC=CC=C3	DRHTUWHJTFSAER-MONBMGCGSA-N
DG62823	"1-[(Z)-1,2-Diphenyl-2-[[(Z)-3-oxo-3-methoxy-1-propenyl]thio]ethenyl]-1H-pyrazole-3-carboxylic acid methyl ester"	5471658	"NSC712734; CHEMBL1991735; NSC-712734; 1-[(Z)-1,2-Diphenyl-2-[[(Z)-3-oxo-3-methoxy-1-propenyl]thio]ethenyl]-1H-pyrazole-3-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712734	.	.	.	.	420.5	C23H20N2O4S	95.7	652	4.4	30	0	6	9	"InChI=1S/C23H20N2O4S/c1-28-20(26)14-16-30-22(18-11-7-4-8-12-18)21(17-9-5-3-6-10-17)25-15-13-19(24-25)23(27)29-2/h3-16H,1-2H3/b16-14-,22-21-"	COC(=O)/C=C\\S/C(=C(/C1=CC=CC=C1)\\N2C=CC(=N2)C(=O)OC)/C3=CC=CC=C3	MLUSCGLGARAUJY-VJSMIHFMSA-N
DG62824	NSC712735	5471659	"1-[(Z)-1,2-Bis(4-methoxyphenyl)-2-[[(Z)-1-(methoxycarbonyl)-3-oxo-3-methoxy-1-propenyl]thio]ethenyl]-1H-pyrazole-3,4-dicarboxylic acid dimethyl ester; NSC712735; NSC-712735; 1-[(Z)-1,2-Bis(4-methoxyphenyl)-2-[[(Z)-1-(methoxycarbonyl)-3-oxo-3-methoxy-1-propenyl]thio]ethenyl]-1H-pyrazole-3,4-dicarboxylic acid dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712735	.	.	.	.	596.6	C29H28N2O10S	167	1030	4.3	42	0	12	15	"InChI=1S/C29H28N2O10S/c1-36-19-11-7-17(8-12-19)25(31-16-21(27(33)39-4)24(30-31)29(35)41-6)26(18-9-13-20(37-2)14-10-18)42-22(28(34)40-5)15-23(32)38-3/h7-16H,1-6H3/b22-15-,26-25-"	COC1=CC=C(C=C1)/C(=C(\\C2=CC=C(C=C2)OC)/S/C(=C\\C(=O)OC)/C(=O)OC)/N3C=C(C(=N3)C(=O)OC)C(=O)OC	RNPBXJBSLXLIHG-GZAOZUBMSA-N
DG62825	"(Z)-2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(4-oxo-2,3-dihydrochromen-3-yl)prop-2-enenitrile"	5471681	NSC713039; CHEMBL1987657; NSC-713039	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713039	.	.	.	.	403.4	C21H21N7O2	130	798	1.8	30	1	9	3	"InChI=1S/C21H21N7O2/c1-12-9-21(2,3)28(27-12)20-25-18(24-19(23)26-20)13(10-22)8-14-11-30-16-7-5-4-6-15(16)17(14)29/h4-8,14H,9,11H2,1-3H3,(H2,23,24,25,26)/b13-8-"	CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)/C(=C\\C3COC4=CC=CC=C4C3=O)/C#N	JEFPBRNTBPFIGS-JYRVWZFOSA-N
DG62826	"(Z)-2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrothiophen-3-yl)prop-2-enenitrile"	5471684	NSC713053; CHEMBL1964501; NSC-713053	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713053	.	.	.	.	384.4	C16H16N8O2S	178	709	2.1	27	1	10	3	"InChI=1S/C16H16N8O2S/c1-9-6-16(2,3)23(22-9)15-20-13(19-14(18)21-15)11(7-17)4-10-5-12(24(25)26)27-8-10/h4-5,8H,6H2,1-3H3,(H2,18,19,20,21)/b11-4-"	CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)/C(=C\\C3=CSC(=C3)[N+](=O)[O-])/C#N	DRJKFXXKGQFBBV-WCIBSUBMSA-N
DG62827	"3-Hydroxy-b,e-caroten-3'-one"	5471692	"3-Hydroxy-b,e-caroten-3'-one; NSC713075; (3R,.epsilon.-caroten-3-one; SCHEMBL1323854; CHEMBL1999562; NSC-713075; 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713075	.	.	.	.	566.9	C40H54O2	37.3	1320	10.9	42	1	2	10	"InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,36-37,42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+"	CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/C2C(=CC(=O)CC2(C)C)C)/C)/C	OABQIJAIRYEICK-DKLMTRRASA-N
DG62828	"3-Methyl-6-(2,4-dichloro-5-fluorophenyl)-7-(3,4-dimethoxybenzylidene)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine"	5471715	"NSC713306; CHEMBL1994649; NSC-713306; 3-Methyl-6-(2,4-dichloro-5-fluorophenyl)-7-(3,4-dimethoxybenzylidene)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713306	.	.	.	.	465.3	C20H15Cl2FN4O2S	86.8	687	5.7	30	0	7	4	"InChI=1S/C20H15Cl2FN4O2S/c1-10-24-25-20-27(10)26-19(12-8-15(23)14(22)9-13(12)21)18(30-20)7-11-4-5-16(28-2)17(6-11)29-3/h4-9H,1-3H3/b18-7-"	CC1=NN=C2N1N=C(/C(=C/C3=CC(=C(C=C3)OC)OC)/S2)C4=CC(=C(C=C4Cl)Cl)F	MLPPJSRGDCBKQG-WSVATBPTSA-N
DG62829	"3-Phenyl-6-(2,4-dichloro-5-fluorophenyl)-7-(3,4-dimethoxybenzylidene)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine"	5471718	"NSC713309; CHEMBL1985107; NSC-713309; 3-Phenyl-6-(2,4-dichloro-5-fluorophenyl)-7-(3,4-dimethoxybenzylidene)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713309	.	.	.	.	527.4	C25H17Cl2FN4O2S	86.8	801	7	35	0	7	5	"InChI=1S/C25H17Cl2FN4O2S/c1-33-20-9-8-14(10-21(20)34-2)11-22-23(16-12-19(28)18(27)13-17(16)26)31-32-24(29-30-25(32)35-22)15-6-4-3-5-7-15/h3-13H,1-2H3/b22-11-"	COC1=C(C=C(C=C1)/C=C\\2/C(=NN3C(=NN=C3S2)C4=CC=CC=C4)C5=CC(=C(C=C5Cl)Cl)F)OC	CGRDTHBHJNOUPW-JJFYIABZSA-N
DG62830	NSC713310	5471719	"(7Z)-3-[(2-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methylene]-6-(2,4-dichloro-5-fluoro-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine; NSC713310; CHEMBL1989839; NSC-713310; (7Z)-3-[(2-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methylene]-6-(2,4-dichloro-5-fluoro-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine; 7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine, 3-[(2-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methylene]-6-(2,4-dichloro-5-fluorophenyl)-, (7Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713310	.	.	.	.	566.3	C24H13Cl4FN4OS	77.6	802	8.2	35	0	6	5	"InChI=1S/C24H13Cl4FN4OS/c25-14-7-5-13(6-8-14)9-21-23(15-10-19(29)18(28)11-17(15)27)32-33-22(30-31-24(33)35-21)12-34-20-4-2-1-3-16(20)26/h1-11H,12H2/b21-9-"	C1=CC=C(C(=C1)OCC2=NN=C3N2N=C(/C(=C/C4=CC=C(C=C4)Cl)/S3)C5=CC(=C(C=C5Cl)Cl)F)Cl	PDEXNIXMYIVYDO-NKVSQWTQSA-N
DG62831	NSC713312	5471721	"(7Z)-3-[(4-chloro-3-methyl-phenoxy)methyl]-7-[(4-chlorophenyl)methylene]-6-(2,4-dichloro-5-fluoro-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine; NSC713312; CHEMBL1974139; NSC-713312; (7Z)-3-[(4-chloro-3-methyl-phenoxy)methyl]-7-[(4-chlorophenyl)methylene]-6-(2,4-dichloro-5-fluoro-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine; 7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine, 3-[(4-chloro-3-methylphenoxy)methyl]-7-[(4-chlorophenyl)methylene]-6-(2,4-dichloro-5-fluorophenyl)-, (7Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713312	.	.	.	.	580.3	C25H15Cl4FN4OS	77.6	832	8.5	36	0	6	5	"InChI=1S/C25H15Cl4FN4OS/c1-13-8-16(6-7-18(13)27)35-12-23-31-32-25-34(23)33-24(17-10-21(30)20(29)11-19(17)28)22(36-25)9-14-2-4-15(26)5-3-14/h2-11H,12H2,1H3/b22-9-"	CC1=C(C=CC(=C1)OCC2=NN=C3N2N=C(/C(=C/C4=CC=C(C=C4)Cl)/S3)C5=CC(=C(C=C5Cl)Cl)F)Cl	IUHDNAPVHKTPKI-AFPJDJCSSA-N
DG62832	NSC713320	5471729	"4-chloro-N-[[(7Z)-6-(2,4-dichloro-5-fluoro-phenyl)-7-[(3,4-dimethoxyphenyl)methylene]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl]aniline; NSC713320; CHEMBL2006153; NSC-713320; 4-chloro-N-[[(7Z)-6-(2,4-dichloro-5-fluoro-phenyl)-7-[(3,4-dimethoxyphenyl)methylene]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl]aniline; 7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine-3-methanamine, N-(4-chlorophenyl)-6-(2,4-dichloro-5-fluorophenyl)-7-[(3,4-dimethoxyphenyl)methylene]-, (7Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713320	.	.	.	.	590.9	C26H19Cl3FN5O2S	98.9	867	7.5	38	1	8	7	"InChI=1S/C26H19Cl3FN5O2S/c1-36-21-8-3-14(9-22(21)37-2)10-23-25(17-11-20(30)19(29)12-18(17)28)34-35-24(32-33-26(35)38-23)13-31-16-6-4-15(27)5-7-16/h3-12,31H,13H2,1-2H3/b23-10-"	COC1=C(C=C(C=C1)/C=C\\2/C(=NN3C(=NN=C3S2)CNC4=CC=C(C=C4)Cl)C5=CC(=C(C=C5Cl)Cl)F)OC	PGHOGYJHWIXBAR-RMORIDSASA-N
DG62833	"4-Ethyl-5-(3-acetoxy-2-naphthyl)-2H-1,2,4-triazole-3-thione"	5471745	"NSC713589; CHEMBL1977338; NSC-713589; NCI60_039514; 4-Ethyl-5-(3-acetoxy-2-naphthyl)-2H-1,2,4-triazole-3-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713589	.	.	.	.	313.4	C16H15N3O2S	86	494	3	22	1	4	4	"InChI=1S/C16H15N3O2S/c1-3-19-15(17-18-16(19)22)13-8-11-6-4-5-7-12(11)9-14(13)21-10(2)20/h4-9H,3H2,1-2H3,(H,18,22)"	CCN1C(=NNC1=S)C2=CC3=CC=CC=C3C=C2OC(=O)C	QYEPULAXVGYYGJ-UHFFFAOYSA-N
DG62834	"(2S,6S,10S)-4,8,12-Trioxo-1,5,9-triazacyclododecane-2,6,10-tricarboxylic acid tribenzyl ester"	5471746	"NSC713591; CHEMBL1982248; NSC-713591; NCI60_039516; (2S,6S,10S)-4,8,12-Trioxo-1,5,9-triazacyclododecane-2,6,10-tricarboxylic acid tribenzyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713591	.	.	.	.	615.6	C33H33N3O9	166	904	2.1	45	3	9	12	"InChI=1S/C33H33N3O9/c37-28-16-25(31(40)43-19-22-10-4-1-5-11-22)34-29(38)17-26(32(41)44-20-23-12-6-2-7-13-23)36-30(39)18-27(35-28)33(42)45-21-24-14-8-3-9-15-24/h1-15,25-27H,16-21H2,(H,34,38)(H,35,37)(H,36,39)/t25-,26-,27-/m0/s1"	C1[C@H](NC(=O)C[C@H](NC(=O)C[C@H](NC1=O)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4	FQXXRGVBMDYFSQ-QKDODKLFSA-N
DG62835	NSC713655	5471757	"(9Z)-4-(1,3-benzothiazol-2-yl)-6-(3-chlorophenyl)-8-methyl-9-[(E)-3-phenylprop-2-enylidene]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one; NSC713655; NSC-713655"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713655	.	.	.	.	529.1	C28H21ClN4OS2	102	935	7.4	36	0	6	4	"InChI=1S/C28H21ClN4OS2/c1-19-23(14-7-11-20-9-3-2-4-10-20)28(33(31-19)22-13-8-12-21(29)17-22)32(26(34)18-35-28)27-30-24-15-5-6-16-25(24)36-27/h2-17H,18H2,1H3/b11-7+,23-14-"	CC\\1=NN(C2(/C1=C\\C=C\\C3=CC=CC=C3)N(C(=O)CS2)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)Cl	SFQDPDHBXHOTMA-NRSKTENOSA-N
DG62836	NSC713659	5471761	"(9Z)-4-(1,3-benzothiazol-2-yl)-6-(3-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one; NSC713659; CHEMBL1983247; NSC-713659"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713659	.	.	.	.	537.5	C26H18Cl2N4OS2	102	895	7.4	35	0	6	3	"InChI=1S/C26H18Cl2N4OS2/c1-16-21(13-17-9-11-18(27)12-10-17)26(32(30-16)20-6-4-5-19(28)14-20)31(24(33)15-34-26)25-29-22-7-2-3-8-23(22)35-25/h2-14H,15H2,1H3/b21-13-"	CC\\1=NN(C2(/C1=C\\C3=CC=C(C=C3)Cl)N(C(=O)CS2)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)Cl	MYXDWVYLDKVBPZ-BKUYFWCQSA-N
DG62837	NSC713661	5471763	"(5Z)-1-(1,3-benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-6-methyl-5-[(E)-3-phenylprop-2-enylidene]-1,7,8-triazaspiro[3.4]oct-6-en-2-one; NSC713661; NSC-713661"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713661	.	.	.	.	531.5	C28H20Cl2N4OS	77	950	7.3	36	0	5	4	"InChI=1S/C28H20Cl2N4OS/c1-18-22(14-7-11-19-9-3-2-4-10-19)28(34(32-18)21-13-8-12-20(29)17-21)25(30)26(35)33(28)27-31-23-15-5-6-16-24(23)36-27/h2-17,25H,1H3/b11-7+,22-14-"	CC\\1=NN(C2(/C1=C\\C=C\\C3=CC=CC=C3)C(C(=O)N2C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)Cl	MWKFVBNQTQDCFH-XNHXLOTDSA-N
DG62838	NSC713664	5471766	"(5Z)-1-(1,3-benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one; NSC713664; NSC-713664"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713664	.	.	.	.	548.5	C28H23Cl2N5OS	80.3	953	6.8	37	0	6	4	"InChI=1S/C28H23Cl2N5OS/c1-17-22(15-18-11-13-20(14-12-18)33(2)3)28(35(32-17)21-8-6-7-19(29)16-21)25(30)26(36)34(28)27-31-23-9-4-5-10-24(23)37-27/h4-16,25H,1-3H3/b22-15-"	CC\\1=NN(C2(/C1=C\\C3=CC=C(C=C3)N(C)C)C(C(=O)N2C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)Cl	NMZAJJKXYKHVET-JCMHNJIXSA-N
DG62839	"(5Z)-3-(1,3-benzothiazol-2-yl)-5-[(2-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one"	5471774	NSC713682; CHEMBL1984489; NSC-713682	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713682	.	.	.	.	397.5	C23H15N3O2S	94	688	5.2	29	1	5	3	"InChI=1S/C23H15N3O2S/c27-19-12-6-4-10-16(19)14-18-22(28)26(21(24-18)15-8-2-1-3-9-15)23-25-17-11-5-7-13-20(17)29-23/h1-14,27H/b18-14-"	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=CC=C3O)/C(=O)N2C4=NC5=CC=CC=C5S4	DYLJLIMKVLNIJW-JXAWBTAJSA-N
DG62840	NSC713686	5471777	"(5Z)-5-benzylidene-3-[2-[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one; NSC713686; CHEMBL1995621; NSC-713686"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713686	.	.	.	.	688.8	C40H28N6O2S2	140	1310	8.9	50	2	8	6	"InChI=1S/C40H28N6O2S2/c47-37-31(21-25-13-5-1-6-14-25)41-35(27-17-9-3-10-18-27)45(37)39-43-29-23-34-30(24-33(29)49-39)44-40(50-34)46-36(28-19-11-4-12-20-28)42-32(38(46)48)22-26-15-7-2-8-16-26/h1-24,39-40,43-44H/b31-21-,32-22-"	C1=CC=C(C=C1)/C=C\\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=N/C(=C\\C8=CC=CC=C8)/C7=O)C9=CC=CC=C9	OYXZFLVYRRWLGZ-RYJWMXFHSA-N
DG62841	NSC713687	5471778	"(5Z)-3-[2-[(4Z)-5-oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]imidazol-4-one; NSC713687; CHEMBL1976351; NSC-713687"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713687	.	.	.	.	740.9	C44H32N6O2S2	140	1460	10.2	54	2	8	8	"InChI=1S/C44H32N6O2S2/c51-41-33(25-13-19-29-15-5-1-6-16-29)45-39(31-21-9-3-10-22-31)49(41)43-47-35-27-38-36(28-37(35)53-43)48-44(54-38)50-40(32-23-11-4-12-24-32)46-34(42(50)52)26-14-20-30-17-7-2-8-18-30/h1-28,43-44,47-48H/b19-13+,20-14+,33-25-,34-26-"	C1=CC=C(C=C1)/C=C/C=C\\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=N/C(=C\\C=C\\C8=CC=CC=C8)/C7=O)C9=CC=CC=C9	UIPPEAHCSMVVNC-PMQQTWLNSA-N
DG62842	NSC713688	5471779	"(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one; NSC713688; CHEMBL1974089; NSC-713688"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713688	.	.	.	.	720.8	C40H28N6O4S2	181	1400	8.2	52	4	10	6	"InChI=1S/C40H28N6O4S2/c47-31-17-9-7-15-25(31)19-29-37(49)45(35(41-29)23-11-3-1-4-12-23)39-43-27-21-34-28(22-33(27)51-39)44-40(52-34)46-36(24-13-5-2-6-14-24)42-30(38(46)50)20-26-16-8-10-18-32(26)48/h1-22,39-40,43-44,47-48H/b29-19-,30-20-"	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=CC=C3O)/C(=O)N2C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=N/C(=C\\C8=CC=CC=C8O)/C7=O)C9=CC=CC=C9	DWUBDRNBZWSPEQ-NAZWXXJZSA-N
DG62843	NSC713690	5471781	"(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one; NSC713690; CHEMBL1990645; NSC-713690"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713690	.	.	.	.	757.7	C40H26Cl2N6O2S2	140	1380	10.1	52	2	8	6	"InChI=1S/C40H26Cl2N6O2S2/c41-27-15-11-23(12-16-27)19-31-37(49)47(35(43-31)25-7-3-1-4-8-25)39-45-29-21-34-30(22-33(29)51-39)46-40(52-34)48-36(26-9-5-2-6-10-26)44-32(38(48)50)20-24-13-17-28(42)18-14-24/h1-22,39-40,45-46H/b31-19-,32-20-"	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=C(C=C3)Cl)/C(=O)N2C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=N/C(=C\\C8=CC=C(C=C8)Cl)/C7=O)C9=CC=CC=C9	GSKNHZBUYZKLAX-CDSIFPFTSA-N
DG62844	"(5Z)-3-(1,3-benzothiazol-2-yl)-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one"	5471788	NSC713705; CHEMBL2007226; NSC-713705	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713705	.	.	.	.	426.4	C23H14N4O3S	120	773	5.3	31	0	6	3	InChI=1S/C23H14N4O3S/c28-22-18(14-16-10-4-6-12-19(16)27(29)30)24-21(15-8-2-1-3-9-15)26(22)23-25-17-11-5-7-13-20(17)31-23/h1-14H/b18-14-	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=CC=C3[N+](=O)[O-])/C(=O)N2C4=NC5=CC=CC=C5S4	LYGGGFCNCRTUEY-JXAWBTAJSA-N
DG62845	"(5Z)-3-(1,3-benzothiazol-2-yl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one"	5471789	NSC713706; CHEMBL1965729; NSC-713706	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713706	.	.	.	.	471.5	C26H21N3O4S	102	785	5.4	34	0	7	6	"InChI=1S/C26H21N3O4S/c1-31-20-14-16(15-21(32-2)23(20)33-3)13-19-25(30)29(24(27-19)17-9-5-4-6-10-17)26-28-18-11-7-8-12-22(18)34-26/h4-15H,1-3H3/b19-13-"	COC1=CC(=CC(=C1OC)OC)/C=C\\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4	YLPZPHIILRZBGO-UYRXBGFRSA-N
DG62846	"(5Z)-3-(1,3-benzothiazol-2-yl)-2-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one"	5471790	NSC713707; CHEMBL2002689; NSC-713707	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713707	.	.	.	.	387.5	C21H13N3OS2	102	643	5.2	27	0	5	3	InChI=1S/C21H13N3OS2/c25-20-17(13-15-9-6-12-26-15)22-19(14-7-2-1-3-8-14)24(20)21-23-16-10-4-5-11-18(16)27-21/h1-13H/b17-13-	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=CS3)/C(=O)N2C4=NC5=CC=CC=C5S4	XAWICDXFJWTYBL-LGMDPLHJSA-N
DG62847	NSC713709	5471792	"(5Z)-5-[(2-nitrophenyl)methylidene]-3-[2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one; NSC713709; CHEMBL1979587; NSC-713709"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713709	.	.	.	.	778.8	C40H26N8O6S2	232	1580	8.5	56	2	12	6	"InChI=1S/C40H26N8O6S2/c49-37-29(19-25-15-7-9-17-31(25)47(51)52)41-35(23-11-3-1-4-12-23)45(37)39-43-27-21-34-28(22-33(27)55-39)44-40(56-34)46-36(24-13-5-2-6-14-24)42-30(38(46)50)20-26-16-8-10-18-32(26)48(53)54/h1-22,39-40,43-44H/b29-19-,30-20-"	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=CC=C3[N+](=O)[O-])/C(=O)N2C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=N/C(=C\\C8=CC=CC=C8[N+](=O)[O-])/C7=O)C9=CC=CC=C9	BTKSFMWAXFHVPU-NAZWXXJZSA-N
DG62848	NSC713711	5471794	"(5Z)-3-[2-[(4Z)-5-oxo-2-phenyl-4-(thiophen-2-ylmethylidene)imidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one; NSC713711; CHEMBL1998207; NSC-713711"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713711	.	.	.	.	700.9	C36H24N6O2S4	197	1300	8.3	48	2	10	6	"InChI=1S/C36H24N6O2S4/c43-33-27(17-23-13-7-15-45-23)37-31(21-9-3-1-4-10-21)41(33)35-39-25-19-30-26(20-29(25)47-35)40-36(48-30)42-32(22-11-5-2-6-12-22)38-28(34(42)44)18-24-14-8-16-46-24/h1-20,35-36,39-40H/b27-17-,28-18-"	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=CS3)/C(=O)N2C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=N/C(=C\\C8=CC=CS8)/C7=O)C9=CC=CC=C9	HOIOHMBUYXWZTJ-HJTNQMAYSA-N
DG62849	NSC713759	5471800	"(3Z)-3-[hydroxy(phenyl)methylidene]-5,7-dimethyl-1,1-dioxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrido[3,2-e]thiazin-4-one; NSC713759; CHEMBL2005288; NSC-713759"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713759	.	.	.	.	600.7	C30H31F3N4O4S	102	1100	5.7	42	1	11	6	"InChI=1S/C30H31F3N4O4S/c1-20-18-21(2)34-29-25(20)28(39)26(27(38)22-8-4-3-5-9-22)37(42(29,40)41)13-7-12-35-14-16-36(17-15-35)24-11-6-10-23(19-24)30(31,32)33/h3-6,8-11,18-19,38H,7,12-17H2,1-2H3/b27-26-"	CC1=CC(=NC2=C1C(=O)/C(=C(\\C3=CC=CC=C3)/O)/N(S2(=O)=O)CCCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)C	LIBWRIIJRAQZSU-RQZHXJHFSA-N
DG62850	NSC713760	5471801	"(3Z)-3-[hydroxy(phenyl)methylidene]-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,7-dimethyl-1,1-dioxopyrido[3,2-e]thiazin-4-one; NSC713760; CHEMBL1998091; NSC-713760; NCI60_039576"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713760	.	.	.	.	562.7	C30H34N4O5S	112	1020	4.8	40	1	9	7	"InChI=1S/C30H34N4O5S/c1-21-20-22(2)31-30-26(21)29(36)27(28(35)23-10-5-4-6-11-23)34(40(30,37)38)15-9-14-32-16-18-33(19-17-32)24-12-7-8-13-25(24)39-3/h4-8,10-13,20,35H,9,14-19H2,1-3H3/b28-27-"	CC1=CC(=NC2=C1C(=O)/C(=C(\\C3=CC=CC=C3)/O)/N(S2(=O)=O)CCCN4CCN(CC4)C5=CC=CC=C5OC)C	NKRSJOODVBVELJ-DQSJHHFOSA-N
DG62851	NSC713761	5471802	"(3Z)-3-[(4-chlorophenyl)-hydroxymethylidene]-5,7-dimethyl-1,1-dioxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrido[3,2-e]thiazin-4-one; NSC713761; CHEMBL2006587; NSC-713761"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713761	.	.	.	.	635.1	C30H30ClF3N4O4S	102	1130	6.3	43	1	11	6	"InChI=1S/C30H30ClF3N4O4S/c1-19-17-20(2)35-29-25(19)28(40)26(27(39)21-7-9-23(31)10-8-21)38(43(29,41)42)12-4-11-36-13-15-37(16-14-36)24-6-3-5-22(18-24)30(32,33)34/h3,5-10,17-18,39H,4,11-16H2,1-2H3/b27-26-"	CC1=CC(=NC2=C1C(=O)/C(=C(\\C3=CC=C(C=C3)Cl)/O)/N(S2(=O)=O)CCCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)C	QEGKPHFRSLKKQU-RQZHXJHFSA-N
DG62852	NSC713799	5471806	"(3E,5E,7E,9R,10R,11E,13E,17S,18S,20S)-20-[(R)-[(2R,3R,4S,5R,6R)-2,4-dihydroxy-6-[(2R)-2-[(2R,4S,5S)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-3-methoxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-10-[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy-17-hydroxy-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one; NSC713799; CHEMBL2007508; NSC-713799"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713799	.	.	.	.	1129.4	C58H96O21	290	2080	2.7	79	8	21	15	"InChI=1S/C58H96O21/c1-29-17-16-18-40(59)43(69-13)25-45(76-55(65)33(5)23-31(3)21-30(2)22-32(4)41(20-19-29)77-56-51(63)50(62)52(71-15)37(9)74-56)53(64)58(67)35(7)48(60)34(6)42(79-58)24-39(28-68-12)75-47-27-57(11,66)54(38(10)73-47)78-46-26-44(70-14)49(61)36(8)72-46/h17,19-23,32,34-54,56,59-64,66-67H,16,18,24-28H2,1-15H3/b20-19+,29-17+,30-22+,31-21+,33-23+/t32-,34+,35-,36-,37+,38 ,39-,40+,41-,42-,43+,44-,45+,46+,47+,48+,49-,50+,51+,52+,53-,54+,56+,57+,58-/m1/s1"	C[C@@H]1/C=C(/C=C(/C=C(/C(=O)O[C@@H](C[C@@H]([C@H](CC/C=C(/C=C/[C@H]1O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C)OC)O)O)\\C)O)OC)[C@H]([C@]3([C@@H]([C@H]([C@H]([C@H](O3)C[C@H](COC)O[C@H]4C[C@]([C@H](C(O4)C)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)OC)(C)O)C)O)C)O)O)\\C)\\C)\\C	WILMROCKORZEMQ-AHZIBIADSA-N
DG62853	NSC713829	5471809	"(3S,10R,13S,16E)-16-[(3,4-dimethoxyphenyl)methylidene]-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one; NSC713829; CHEMBL1967102; NSC-713829"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713829	.	.	.	.	436.6	C28H36O4	55.8	814	5.1	32	1	4	3	"InChI=1S/C28H36O4/c1-27-11-9-20(29)16-19(27)6-7-21-22(27)10-12-28(2)23(21)15-18(26(28)30)13-17-5-8-24(31-3)25(14-17)32-4/h5-6,8,13-14,20-23,29H,7,9-12,15-16H2,1-4H3/b18-13+/t20-,21 ,22 ,23 ,27-,28-/m0/s1"	C[C@]12CC[C@@H](CC1=CCC3C2CC[C@]4(C3C/C(=C\\C5=CC(=C(C=C5)OC)OC)/C4=O)C)O	IXKJEQQDDXKZRU-AAJXSOPVSA-N
DG62854	"12-Ethyl-4-methyl-5-sulfanylidene-8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one"	5471815	NSC714004; CHEMBL1999234; NSC-714004; NCI60_039610	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714004	.	.	.	.	281.4	C12H15N3OS2	95.9	390	1.5	18	1	4	1	"InChI=1S/C12H15N3OS2/c1-3-15-5-4-8-7(6-15)9-10(18-8)13-12(17)14(2)11(9)16/h3-6H2,1-2H3,(H,13,17)"	CCN1CCC2=C(C1)C3=C(S2)NC(=S)N(C3=O)C	ULVGXYJDYYXGGD-UHFFFAOYSA-N
DG62855	3-[2-Hydroxymethyl-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydro-furan-2-yl]-acrylic acid hexyl ester	5471817	CHEMBL355787; NSC714070; 3-[2-Hydroxymethyl-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydro-furan-2-yl]-acrylic acid hexyl ester; BDBM50085881; NSC-714070	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714070	.	.	.	.	394.5	C23H38O5	72.8	553	5.4	28	1	5	13	"InChI=1S/C23H38O5/c1-6-7-8-9-14-27-21(25)12-13-23(16-24)15-19(22(26)28-23)10-11-20(17(2)3)18(4)5/h10,12-13,17-18,20,24H,6-9,11,14-16H2,1-5H3/b13-12+,19-10-/t23-/m1/s1"	CCCCCCOC(=O)/C=C/[C@@]1(C/C(=C/CC(C(C)C)C(C)C)/C(=O)O1)CO	ZCHNHMBJTXBRMA-QQKDIBHJSA-N
DG62856	(Z)-(2-(hydroxymethyl)-4-(3-isobutyl-5-methylhexylidene)-5-oxo-tetrahydrofuran-2-yl)methyl pivalate	5471818	"CHEMBL96766; NSC714071; DAG-lactone (HK-434); 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-(3-isobutyl-5-methyl-hexylidene)-5-oxo-tetrahydro-furan-2-ylmethyl ester; BDBM50107112; HK-434; NSC722219; NSC-714071; NSC-722219; (+-)-2,3-dihydrofuryl)} methyl ester; (Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-(3-isobutyl-5-methyl-hexylidene)-5-oxo-tetrahydro-furan-2-ylmethyl ester; (Z)-(2-(hydroxymethyl)-4-(3-isobutyl-5-methylhexylidene)-5-oxo-tetrahydrofuran-2-yl)methyl pivalate; (Z)-2-(2-(hydroxymethyl)-4-(3-isobutyl-5-methylhexylidene)-5-oxo-tetrahydrofuran-2-yl)ethyl pivalate; 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-[3-isobutyl-5-methyl-hex-(Z)-ylidene]-5-oxo-tetrahydro-furan-2-ylmethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722219	.	.	.	.	382.5	C22H38O5	72.8	531	5.4	27	1	5	11	"InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-"	CC(C)CC(C/C=C\\1/CC(OC1=O)(CO)COC(=O)C(C)(C)C)CC(C)C	XKEOGEXDEKIDNA-NVMNQCDNSA-N
DG62857	"2-[(S)-1-[(4-Methylphenyl)sulfinylamino]butyl]-3,3-diphenylpropenoic acid ethyl ester"	5471819	"NSC714074; CHEMBL1979465; NSC-714074; NCI60_039617; 2-[(S)-1-[(4-Methylphenyl)sulfinylamino]butyl]-3,3-diphenylpropenoic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714074	.	.	.	.	461.6	C28H31NO3S	74.6	636	7.1	33	1	5	11	"InChI=1S/C28H31NO3S/c1-4-12-25(29-33(31)24-19-17-21(3)18-20-24)27(28(30)32-5-2)26(22-13-8-6-9-14-22)23-15-10-7-11-16-23/h6-11,13-20,25,29H,4-5,12H2,1-3H3/t25-,33 /m0/s1"	CCC[C@@H](C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)OCC)NS(=O)C3=CC=C(C=C3)C	SETZUPSMDRZRHJ-CPMFFWQLSA-N
DG62858	"(Z)-4-(2-aminoanilino)-1,1,1-trichlorobut-3-en-2-one"	5471820	NSC714075; CHEMBL1992799; NSC-714075	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714075	.	.	.	.	279.5	C10H9Cl3N2O	55.1	276	3.5	16	2	3	3	"InChI=1S/C10H9Cl3N2O/c11-10(12,13)9(16)5-6-15-8-4-2-1-3-7(8)14/h1-6,15H,14H2/b6-5-"	C1=CC=C(C(=C1)N)N/C=C\\C(=O)C(Cl)(Cl)Cl	UTHZONLZLHHUPR-WAYWQWQTSA-N
DG62859	"(Z)-1,1,1-trichloro-4-(2-hydroxyanilino)but-3-en-2-one"	5471821	NSC714076; CHEMBL1989981; NSC-714076	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714076	.	.	.	.	280.5	C10H8Cl3NO2	49.3	276	3.8	16	2	3	3	"InChI=1S/C10H8Cl3NO2/c11-10(12,13)9(16)5-6-14-7-3-1-2-4-8(7)15/h1-6,14-15H/b6-5-"	C1=CC=C(C(=C1)N/C=C\\C(=O)C(Cl)(Cl)Cl)O	CDYPCWQTHVEJGN-WAYWQWQTSA-N
DG62860	"2,6-Di-[2-(furan-2-yl)vinyl]pyridine"	5471824	"NSC714203; CHEMBL1186118; 2,6-Bis[2-(2-furyl)vinyl]pyridine; NSC-714203; 2,6-di-[2-(furan-2-yl)vinyl]pyridine; 2,6-Bis[(E)-2-(furan-2-yl)vinyl]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714203	.	.	.	.	263.29	C17H13NO2	39.2	321	3.7	20	0	3	4	"InChI=1S/C17H13NO2/c1-4-14(8-10-16-6-2-12-19-16)18-15(5-1)9-11-17-7-3-13-20-17/h1-13H/b10-8+,11-9+"	C1=CC(=NC(=C1)/C=C/C2=CC=CO2)/C=C/C3=CC=CO3	VBUKZZMUUHZWFU-GFULKKFKSA-N
DG62861	"2,6-Di-[2-(thien-2-yl)vinyl]pyridine"	5471825	"NSC714204; CHEMBL1965062; NSC-714204; 2,6-Bis[2-(2-thienyl)vinyl]pyridine; 2,6-di-[2-(thien-2-yl)vinyl]pyridine; 2,6-Bis[(E)-2-(2-thienyl)ethenyl]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714204	.	.	.	.	295.4	C17H13NS2	69.4	321	4.9	20	0	3	4	"InChI=1S/C17H13NS2/c1-4-14(8-10-16-6-2-12-19-16)18-15(5-1)9-11-17-7-3-13-20-17/h1-13H/b10-8+,11-9+"	C1=CC(=NC(=C1)/C=C/C2=CC=CS2)/C=C/C3=CC=CS3	WOMJNQNGCSLNRB-GFULKKFKSA-N
DG62862	"2,6-Bis[2-(2-pyridyl)vinyl]pyridine"	5471826	"NSC714205; CHEMBL1985126; NSC-714205; 2,6-Bis[2-(2-pyridyl)vinyl]pyridine; 2,6-di-[2(pyridin-2-yl)vinyl]pyridine; 2,6-Bis[(E)-2-(2-pyridyl)ethenyl]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714205	.	.	.	.	285.3	C19H15N3	38.7	343	3.4	22	0	3	4	"InChI=1S/C19H15N3/c1-3-14-20-16(6-1)10-12-18-8-5-9-19(22-18)13-11-17-7-2-4-15-21-17/h1-15H/b12-10+,13-11+"	C1=CC=NC(=C1)/C=C/C2=NC(=CC=C2)/C=C/C3=CC=CC=N3	NDHWGFRYHPLFFF-DCIPZJNNSA-N
DG62863	"15-(4-Bromophenyl)-5,5,11,11-tetramethyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),8,13(16)-tetraen-3-one"	5471830	NSC714391; CHEMBL1969145; NSC-714391; NCI60_039653	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714391	.	.	.	.	437.4	C24H25BrN2O	45.8	639	5.8	28	1	2	1	"InChI=1S/C24H25BrN2O/c1-23(2)9-15-19-16(10-23)27-22(13-5-7-14(25)8-6-13)21(19)20-17(26-15)11-24(3,4)12-18(20)28/h5-8,27H,9-12H2,1-4H3"	CC1(CC2=C3C(=NC4=C(C3=C(N2)C5=CC=C(C=C5)Br)C(=O)CC(C4)(C)C)C1)C	HEHPNPQDFUOYNL-UHFFFAOYSA-N
DG62864	"5,5,11,11-Tetramethyl-15-(4-nitrophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),8,13(16)-tetraen-3-one"	5471831	NSC714392; CHEMBL2005333; NSC-714392; NCI60_039654	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714392	.	.	.	.	403.5	C24H25N3O3	91.6	722	4.9	30	1	4	1	"InChI=1S/C24H25N3O3/c1-23(2)9-15-19-16(10-23)26-22(13-5-7-14(8-6-13)27(29)30)21(19)20-17(25-15)11-24(3,4)12-18(20)28/h5-8,26H,9-12H2,1-4H3"	CC1(CC2=C3C(=NC4=C(C3=C(N2)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)CC(C4)(C)C)C1)C	AQUJFSUMKDHESO-UHFFFAOYSA-N
DG62865	"2-[5-(4-chlorophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl 3,4,5-trimethoxybenzoate"	5471842	"NSC714454; CHEMBL1967643; NSC-714454; NCI60_039675; 3,4,5-Trimethoxybenzoic acid 2-[5-(4-chlorophenyl)-3-(thioxo)-2,3-dihydro-1H-1,2,4-triazole-2-yl]ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714454	.	.	.	.	449.9	C20H20ClN3O5S	114	630	3.7	30	1	6	9	"InChI=1S/C20H20ClN3O5S/c1-26-15-10-13(11-16(27-2)17(15)28-3)19(25)29-9-8-24-20(30)22-18(23-24)12-4-6-14(21)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,22,23,30)"	COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2C(=S)N=C(N2)C3=CC=C(C=C3)Cl	IMKZBGWMHGPYSU-UHFFFAOYSA-N
DG62866	N-ethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide	5471900	NSC715224; CHEMBL1979259; NSC-715224	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715224	.	.	.	.	337.3	C18H15N3O4	101	519	3.4	25	1	5	4	"InChI=1S/C18H15N3O4/c1-2-19-18(22)15-11-12(20-16-6-4-3-5-14(15)16)7-8-13-9-10-17(25-13)21(23)24/h3-11H,2H2,1H3,(H,19,22)/b8-7+"	CCNC(=O)C1=CC(=NC2=CC=CC=C21)/C=C/C3=CC=C(O3)[N+](=O)[O-]	HPHHUQLTSBTFCK-BQYQJAHWSA-N
DG62867	phenyl 4-[(2R)-1-hydroxypropan-2-yl]-2-(2-trimethylsilylethynyl)-2H-quinoline-1-carboxylate	5471910	CHEMBL1979297; NSC715329; NSC-715329; NCI60_039824	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715329	.	.	.	.	405.6	C24H27NO3Si	49.8	677	.	29	1	3	5	"InChI=1S/C24H27NO3Si/c1-18(17-26)22-16-19(14-15-29(2,3)4)25(23-13-9-8-12-21(22)23)24(27)28-20-10-6-5-7-11-20/h5-13,16,18-19,26H,17H2,1-4H3/t18-,19 /m0/s1"	C[C@@H](CO)C1=CC(N(C2=CC=CC=C21)C(=O)OC3=CC=CC=C3)C#C[Si](C)(C)C	QMBUWUDOIGQBNM-OYKVQYDMSA-N
DG62868	NSC715334	5471911	"5-[(Z)-[5-[(E)-(5-imino-3,3-dimethyloxolan-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-ylidene]methyl]-2,4,4-trimethyl-3H-pyrrole-2-carbonitrile; NSC715334; CHEMBL1999731; NSC-715334"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715334	.	.	.	.	366.5	C22H30N4O	81.6	873	3	27	1	5	2	"InChI=1S/C22H30N4O/c1-19(2)10-14(8-16-21(5,6)12-22(7,13-23)26-16)25-15(19)9-17-20(3,4)11-18(24)27-17/h8-9,24H,10-12H2,1-7H3/b14-8-,17-9+,24-18 "	CC\\1(CC(=N)O/C1=C/C2=N/C(=C\\C3=NC(CC3(C)C)(C)C#N)/CC2(C)C)C	AJVGWXNMFPWICK-YAZRYWJLSA-N
DG62869	NSC715335	5471912	"(5E)-5-[[(5E)-5-[[5-[(Z)-(4,4-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethylpyrrol-2-yl]methylidene]-4,4-dimethyl-1-(trifluoromethylsulfonyl)pyrrol-2-yl]methylidene]-2,4,4-trimethyl-1-(trifluoromethylsulfonyl)pyrrolidine-2-carbonitrile; NSC715335; CHEMBL1968082; NSC-715335"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715335	.	.	.	.	737.8	C31H37F6N5O5S2	157	1960	5.7	49	1	15	5	"InChI=1S/C31H37F6N5O5S2/c1-25(2)13-19(39-21(25)10-18-14-27(5,6)24(43)40-18)11-22-26(3,4)15-20(41(22)48(44,45)30(32,33)34)12-23-28(7,8)16-29(9,17-38)42(23)49(46,47)31(35,36)37/h10-13,15H,14,16H2,1-9H3,(H,40,43)/b18-10-,22-11+,23-12+"	CC1(C/C(=C/C2=NC(=CC2(C)C)/C=C/3\\C(C=C(N3S(=O)(=O)C(F)(F)F)/C=C/4\\C(CC(N4S(=O)(=O)C(F)(F)F)(C)C#N)(C)C)(C)C)/NC1=O)C	WIQLAHKDHZERSM-RXDLLMILSA-N
DG62870	"[(4R)-4-[(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-1-enyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]-phenylmethanone"	5471919	NSC715422; CHEMBL2003640; NSC-715422	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715422	.	.	.	.	513.7	C32H39NO3Si	38.8	737	.	37	0	3	9	"InChI=1S/C32H39NO3Si/c1-31(2,3)37(28-20-11-7-12-21-28,29-22-13-8-14-23-29)36-24-16-15-19-27-25-35-32(4,5)33(27)30(34)26-17-9-6-10-18-26/h6-15,17-23,27H,16,24-25H2,1-5H3/b19-15-/t27-/m1/s1"	CC1(N([C@@H](CO1)/C=C\\CCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C(=O)C4=CC=CC=C4)C	FMZGGSJBSANESZ-VYEJKPKRSA-N
DG62871	NSC715431	5471920	"(1S,3R,3aS,7R,7aR)-4-methyl-7-propan-2-yl-1-[(E)-prop-1-enyl]-3-(3-trimethylsilylprop-2-ynyl)-3,6,7,7a-tetrahydro-1H-2-benzofuran-3a-carbaldehyde; NSC715431; CHEMBL1973490; NSC-715431"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715431	.	.	.	.	358.6	C22H34O2Si	26.3	625	.	25	0	2	5	"InChI=1S/C22H34O2Si/c1-8-10-19-21-18(16(2)3)13-12-17(4)22(21,15-23)20(24-19)11-9-14-25(5,6)7/h8,10,12,15-16,18-21H,11,13H2,1-7H3/b10-8+/t18-,19+,20-,21+,22-/m1/s1"	C/C=C/[C@H]1[C@@H]2[C@H](CC=C([C@@]2([C@H](O1)CC#C[Si](C)(C)C)C=O)C)C(C)C	WHKOXSLWDIXKLW-NEQXNMKJSA-N
DG62872	"(2S,3Z)-2-(iodomethyl)-1-[(4-methoxyphenyl)methyl]-2,5,6,7-tetrahydroazocin-8-one"	5471925	NSC715437; CHEMBL1968003; NSC-715437	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715437	.	.	.	.	385.24	C16H20INO2	29.5	337	3.3	20	0	2	4	"InChI=1S/C16H20INO2/c1-20-15-9-7-13(8-10-15)12-18-14(11-17)5-3-2-4-6-16(18)19/h3,5,7-10,14H,2,4,6,11-12H2,1H3/b5-3-/t14-/m0/s1"	COC1=CC=C(C=C1)CN2[C@@H](/C=C\\CCCC2=O)CI	QXKNMNZHLSNGGS-MFBWXBCUSA-N
DG62873	"(Z)-3-[(2R,3S,4S,5S)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enal"	5471937	NSC715496; CHEMBL1973445; NSC-715496	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715496	.	.	.	.	214.26	C11H18O4	66.8	299	-0.4	15	2	4	2	"InChI=1S/C11H18O4/c1-7(6-12)5-10(3)9(13)11(4,14)8(2)15-10/h5-6,8-9,13-14H,1-4H3/b7-5-/t8-,9+,10+,11+/m0/s1"	C[C@H]1[C@@]([C@@H]([C@@](O1)(C)/C=C(/C)\\C=O)O)(C)O	YDZGIHHZMNNFMM-URCWOFHRSA-N
DG62874	"(E,2S)-5-[furan-2-yl(dimethyl)silyl]-3,4-dimethylpent-4-ene-2,3-diol"	5471939	NSC715500; CHEMBL1999164; NSC-715500	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715500	.	.	.	.	254.4	C13H22O3Si	53.6	301	.	17	2	3	4	"InChI=1S/C13H22O3Si/c1-10(13(3,15)11(2)14)9-17(4,5)12-7-6-8-16-12/h6-9,11,14-15H,1-5H3/b10-9+/t11-,13 /m0/s1"	C[C@@H](C(C)(/C(=C/[Si](C)(C)C1=CC=CO1)/C)O)O	WJPKPPFYKVHHNN-DMGJVEMRSA-N
DG62875	1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-chloropropyl)piperazine;(Z)-but-2-enedioic acid	5471947	NSC715545; CHEMBL2003592; NSC-715545	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715545	.	.	.	.	525	C26H31ClF2N2O5	90.3	518	.	36	2	9	11	"InChI=1S/C22H27ClF2N2O.C4H4O4/c23-10-1-11-26-12-14-27(15-13-26)16-17-28-22(18-2-6-20(24)7-3-18)19-4-8-21(25)9-5-19;5-3(6)1-2-4(7)8/h2-9,22H,1,10-17H2;1-2H,(H,5,6)(H,7,8)/b;2-1-"	C1CN(CCN1CCCCl)CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.C(=C\\C(=O)O)\\C(=O)O	UDJZLYCFTPNQAC-BTJKTKAUSA-N
DG62876	"3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-9-[(E)-3-thiophen-2-ylprop-2-enyl]-3,9-diazabicyclo[4.2.1]nonane;oxalic acid"	5471951	NSC715586; CHEMBL1994811; NSC-715586	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715586	.	.	.	.	584.7	C31H34F2N2O5S	119	715	.	41	2	10	10	"InChI=1S/C29H32F2N2OS.C2H2O4/c30-24-9-5-22(6-10-24)29(23-7-11-25(31)12-8-23)34-19-18-32-17-15-26-13-14-27(21-32)33(26)16-1-3-28-4-2-20-35-28;3-1(4)2(5)6/h1-12,20,26-27,29H,13-19,21H2;(H,3,4)(H,5,6)/b3-1+;"	C1CC2CN(CCC1N2C/C=C/C3=CC=CS3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.C(=O)(C(=O)O)O	FTSIOYFPWXTUDM-KSMVGCCESA-N
DG62877	"3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-9-[(E)-3-(furan-2-yl)prop-2-enyl]-3,9-diazabicyclo[4.2.1]nonane;oxalic acid"	5471955	NSC715588; CHEMBL1969482; NSC-715588	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715588	.	.	.	.	568.6	C31H34F2N2O6	103	713	.	41	2	10	10	"InChI=1S/C29H32F2N2O2.C2H2O4/c30-24-9-5-22(6-10-24)29(23-7-11-25(31)12-8-23)35-20-18-32-17-15-26-13-14-27(21-32)33(26)16-1-3-28-4-2-19-34-28;3-1(4)2(5)6/h1-12,19,26-27,29H,13-18,20-21H2;(H,3,4)(H,5,6)/b3-1+;"	C1CC2CN(CCC1N2C/C=C/C3=CC=CO3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.C(=O)(C(=O)O)O	CKZWFHFTIYLNOU-KSMVGCCESA-N
DG62878	"2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-ol;(Z)-but-2-enedioic acid"	5471957	NSC715589; CHEMBL1993653; NSC-715589	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715589	.	.	.	.	608.7	C34H38F2N2O6	111	742	.	44	3	10	10	"InChI=1S/C30H34F2N2O2.C4H4O4/c31-26-11-7-23(8-12-26)30(24-9-13-27(32)14-10-24)36-20-19-33-15-17-34(18-16-33)21-25-6-5-22-3-1-2-4-28(22)29(25)35;5-3(6)1-2-4(7)8/h1-4,7-14,25,29-30,35H,5-6,15-21H2;1-2H,(H,5,6)(H,7,8)/b;2-1-"	C1CC2=CC=CC=C2C(C1CN3CCN(CC3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O.C(=C\\C(=O)O)\\C(=O)O	LDMXUAQNDZCTKE-BTJKTKAUSA-N
DG62879	"1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(6-methoxy-3,4-dihydronaphthalen-2-yl)methyl]piperazine;(Z)-but-2-enedioic acid"	5471959	NSC715594; CHEMBL1994532; NSC-715594	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715594	.	.	.	.	620.7	C35H38F2N2O6	99.5	809	.	45	2	10	11	"InChI=1S/C31H34F2N2O2.C4H4O4/c1-36-30-13-8-26-20-23(2-3-27(26)21-30)22-35-16-14-34(15-17-35)18-19-37-31(24-4-9-28(32)10-5-24)25-6-11-29(33)12-7-25;5-3(6)1-2-4(7)8/h4-13,20-21,31H,2-3,14-19,22H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-"	COC1=CC2=C(C=C1)C=C(CC2)CN3CCN(CC3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.C(=C\\C(=O)O)\\C(=O)O	QBQSCRAIVFFMQB-BTJKTKAUSA-N
DG62880	NSC715595	5471960	"2-[[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;(Z)-but-2-enedioic acid; NSC715595; CHEMBL2005831; NSC-715595"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715595	.	.	.	.	638.7	C35H40F2N2O7	120	790	.	46	3	11	11	"InChI=1S/C31H36F2N2O3.C4H4O4/c1-37-28-12-13-29-24(20-28)2-3-25(30(29)36)21-35-16-14-34(15-17-35)18-19-38-31(22-4-8-26(32)9-5-22)23-6-10-27(33)11-7-23;5-3(6)1-2-4(7)8/h4-13,20,25,30-31,36H,2-3,14-19,21H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-"	COC1=CC2=C(C=C1)C(C(CC2)CN3CCN(CC3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O.C(=C\\C(=O)O)\\C(=O)O	KFLDZYVBWAXFFP-BTJKTKAUSA-N
DG62881	3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;(Z)-but-2-enedioic acid	5471962	NSC715597; CHEMBL1987369; NSC-715597	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715597	.	.	.	.	546.7	C32H38N2O6	111	591	.	40	3	8	12	"InChI=1S/C28H34N2O2.C4H4O4/c31-27(24-10-4-1-5-11-24)16-17-29-18-20-30(21-19-29)22-23-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26;5-3(6)1-2-4(7)8/h1-15,27-28,31H,16-23H2;1-2H,(H,5,6)(H,7,8)/b;2-1-"	C1CN(CCN1CCC(C2=CC=CC=C2)O)CCOC(C3=CC=CC=C3)C4=CC=CC=C4.C(=C\\C(=O)O)\\C(=O)O	SBKWOPPWVIJHPY-BTJKTKAUSA-N
DG62882	Presqualene alcohol	5471965	"Presqualene alcohol; 31908-49-3; [(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methanol; CHEMBL2002372; NSC715638; NSC-715638; (1R-(1alpha,2beta(E),3beta(E,E)))-2-(4,8-Dimethyl-3,7-nonadienyl)-2-methyl-3-(2,6,10-trimethyl-1,5,9-undecatrienyl)cyclopropanemethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715638	.	.	.	.	426.7	C30H50O	20.2	692	10.1	31	1	1	14	"InChI=1S/C30H50O/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-31)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29,31H,9-12,15-16,18,20,22H2,1-8H3/b25-17+,26-19+,27-21+/t28-,29-,30-/m1/s1"	CC(=CCC/C(=C/CC/C(=C/[C@@H]1[C@H]([C@]1(C)CC/C=C(\\C)/CCC=C(C)C)CO)/C)/C)C	XLTBFLSFXLLDAZ-VVFNRDJMSA-N
DG62883	Poricoic acid G	5471966	"Poricoic acid G; CHEBI:68355; 415724-84-4; (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid; PoricoicacidG; CHEMBL138450; SCHEMBL6281406; NSC715639; NSC-715639; NCI60_039950; 16.alpha.-Hydroxy-3,8,24-triene-3,21-dioic acid; Q27136852; 16alpha-hydroxy-3,4-seco-lanosta-4(28),8,24-triene-3,21-dioic acid; (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715639	.	.	.	.	486.7	C30H46O5	94.8	940	6.2	35	3	5	9	"InChI=1S/C30H46O5/c1-18(2)9-8-10-20(27(34)35)26-24(31)17-30(7)23-12-11-21(19(3)4)28(5,15-14-25(32)33)22(23)13-16-29(26,30)6/h9,20-21,24,26,31H,3,8,10-17H2,1-2,4-7H3,(H,32,33)(H,34,35)/t20-,21+,24-,26+,28+,29-,30+/m1/s1"	CC(=CCC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CCC3=C2CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O)C	VPTZOSBKEDUOFE-KXGBKNTBSA-N
DG62884	[(E)-[4-[[6-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]thiourea	5471967	NSC715647; CHEMBL2001657; NSC-715647	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715647	.	.	.	.	493.6	C23H23N7O2S2	196	637	2.4	34	4	7	10	"InChI=1S/C23H23N7O2S2/c24-22(33)29-26-12-16-4-8-20(9-5-16)31-14-18-2-1-3-19(28-18)15-32-21-10-6-17(7-11-21)13-27-30-23(25)34/h1-13H,14-15H2,(H3,24,29,33)(H3,25,30,34)/b26-12-,27-13+"	C1=CC(=NC(=C1)COC2=CC=C(C=C2)/C=N\\NC(=S)N)COC3=CC=C(C=C3)/C=N/NC(=S)N	QKIKXJHJUBRLPQ-MKMZHBJZSA-N
DG62885	"(5E)-2-[(4-methylphenoxy)methyl]-5-[(5-nitrofuran-2-yl)methylidene]-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one"	5471975	NSC715682; CHEMBL1998268; NSC-715682	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715682	.	.	.	.	386.4	C17H14N4O5S	138	671	3	27	1	7	4	"InChI=1S/C17H14N4O5S/c1-10-2-4-11(5-3-10)25-9-14-18-17-20(19-14)16(22)13(27-17)8-12-6-7-15(26-12)21(23)24/h2-8,17H,9H2,1H3,(H,18,19)/b13-8+"	CC1=CC=C(C=C1)OCC2=NC3N(N2)C(=O)/C(=C\\C4=CC=C(O4)[N+](=O)[O-])/S3	NSOGORXGYJBXIH-MDWZMJQESA-N
DG62886	NSC715683	5471976	"(5E)-2-[(4-chlorophenoxy)methyl]-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one; NSC715683; CHEMBL1982825; NSC-715683"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715683	.	.	.	.	506.8	C22H14Cl3N3O3S	92.4	777	6.1	32	1	5	5	"InChI=1S/C22H14Cl3N3O3S/c23-12-1-4-14(5-2-12)30-11-20-26-22-28(27-20)21(29)19(32-22)10-15-6-8-18(31-15)16-7-3-13(24)9-17(16)25/h1-10,22H,11H2,(H,26,27)/b19-10+"	C1=CC(=CC=C1OCC2=NC3N(N2)C(=O)/C(=C\\C4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl)/S3)Cl	PVSNCTQAPFHTEX-VXLYETTFSA-N
DG62887	1-[[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-3-ethylthiourea	5471977	NSC715711; CHEMBL1975628; NSC-715711; NCI60_039983	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715711	.	.	.	.	553.4	C20H20IN5O2S2	143	672	3.6	30	3	5	6	"InChI=1S/C20H20IN5O2S2/c1-2-22-19(29)25-24-17(27)12-30-20-23-16-9-8-14(21)10-15(16)18(28)26(20)11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,24,27)(H2,22,25,29)"	CCNC(=S)NNC(=O)CSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3	UHRWCJOWMMXSOO-UHFFFAOYSA-N
DG62888	1-[[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-3-phenylthiourea	5471979	NSC715724; CHEMBL1974886; NSC-715724; NCI60_039991	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715724	.	.	.	.	601.5	C24H20IN5O2S2	143	771	4.8	34	3	5	6	"InChI=1S/C24H20IN5O2S2/c25-17-11-12-20-19(13-17)22(32)30(14-16-7-3-1-4-8-16)24(27-20)34-15-21(31)28-29-23(33)26-18-9-5-2-6-10-18/h1-13H,14-15H2,(H,28,31)(H2,26,29,33)"	C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NNC(=S)NC4=CC=CC=C4	BHJCIQCBNDURIW-UHFFFAOYSA-N
DG62889	3-benzyl-6-iodo-2-[(E)-2-oxo-4-phenylbut-3-enyl]sulfanylquinazolin-4-one	5471980	NSC715729; CHEMBL1975711; NSC-715729	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715729	.	.	.	.	538.4	C25H19IN2O2S	75	698	5.8	31	0	4	7	"InChI=1S/C25H19IN2O2S/c26-20-12-14-23-22(15-20)24(30)28(16-19-9-5-2-6-10-19)25(27-23)31-17-21(29)13-11-18-7-3-1-4-8-18/h1-15H,16-17H2/b13-11+"	C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)/C=C/C4=CC=CC=C4	AXOKETWOQOGBPQ-ACCUITESSA-N
DG62890	"3-benzyl-6-iodo-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one"	5471983	NSC715744; CHEMBL1999686; NSC-715744; NCI60_040004	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715744	.	.	.	.	508.4	C18H13IN4O2S2	124	666	4.1	27	1	6	5	"InChI=1S/C18H13IN4O2S2/c19-12-6-7-14-13(8-12)16(24)23(9-11-4-2-1-3-5-11)17(20-14)27-10-15-21-22-18(26)25-15/h1-8H,9-10H2,(H,22,26)"	C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC4=NNC(=S)O4	WSULZMQSOMZGIB-UHFFFAOYSA-N
DG62891	4-(1H-benzimidazol-2-yl)-N-[(E)-pyridin-2-yldiazenyl]aniline	5471984	NSC715749; NSC-715749; NCI60_040008	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715749	.	.	.	.	314.3	C18H14N6	78.3	420	4.6	24	2	5	4	"InChI=1S/C18H14N6/c1-2-6-16-15(5-1)20-18(21-16)13-8-10-14(11-9-13)22-24-23-17-7-3-4-12-19-17/h1-12H,(H,20,21)(H,19,22,23)"	C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N/N=N/C4=CC=CC=N4	SOSOOSUKEWICIL-UHFFFAOYSA-N
DG62892	"N-(1E-pentenyl)-2Z,4Z-heptadienamide"	5471986	"NSC715759; CHEMBL1970090; NSC-715759; N-(1E-pentenyl)-2Z,4Z-heptadienamide; (2Z,4Z)-N-[(E)-1-Pentenyl]-2,4-heptadienamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715759	.	.	.	.	193.28	C12H19NO	29.1	227	3.1	14	1	1	6	"InChI=1S/C12H19NO/c1-3-5-7-8-10-12(14)13-11-9-6-4-2/h5,7-11H,3-4,6H2,1-2H3,(H,13,14)/b7-5-,10-8-,11-9+"	CCC/C=C/NC(=O)/C=C\\C=C/CC	JDFJAHGFIVKJBK-IZYYEFCUSA-N
DG62893	"11H-Indolo[1, 11-[[4-(dimethylamino)phenyl]methylene]-6-methyl-, trifluoromethanesulfonate"	5471987	"MLS002702486; NSC715775; NSC-715775; 11H-Indolo[1, 11-[[4-(dimethylamino)phenyl]methylene]-6-methyl-, trifluoromethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715775	.	.	.	.	501.5	C25H22F3N3O3S	77.6	707	.	35	0	7	2	"InChI=1S/C24H22N3.CHF3O3S/c1-25(2)18-14-12-17(13-15-18)16-21-19-8-4-7-11-23(19)27-24(21)20-9-5-6-10-22(20)26(27)3;2-1(3,4)8(5,6)7/h4-16H,1-3H3;(H,5,6,7)/q+1;/p-1"	C[N+]1=C2C=CC=CC2=C\\3N1C4=CC=CC=C4/C3=C/C5=CC=C(C=C5)N(C)C.C(F)(F)(F)S(=O)(=O)[O-]	OTIGWHFQHFVTPR-UHFFFAOYSA-M
DG62894	"4-[(Z)-(7-methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate"	5471989	NSC715776; CHEMBL1990084; NSC-715776	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715776	.	.	.	.	557.6	C28H26F3N3O4S	86.9	779	.	39	0	8	4	"InChI=1S/C27H26N3O.CHF3O3S/c1-28(2)21-12-10-19(11-13-21)16-24-23-15-14-22(31-4)17-26(23)30-27(24)18-25(29(30)3)20-8-6-5-7-9-20;2-1(3,4)8(5,6)7/h5-18H,1-4H3;(H,5,6,7)/q+1;/p-1"	C[N+]1=C(C=C\\2N1C3=C(/C2=C/C4=CC=C(C=C4)N(C)C)C=CC(=C3)OC)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]	VXZKCZYQOKYCGI-UHFFFAOYSA-M
DG62895	"4-[(Z)-(5-methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate"	5471991	NSC715777; CHEMBL1966795; NSC-715777	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715777	.	.	.	.	557.6	C28H26F3N3O4S	86.9	779	.	39	0	8	4	"InChI=1S/C27H26N3O.CHF3O3S/c1-28(2)21-15-13-19(14-16-21)17-22-25-18-24(20-9-6-5-7-10-20)29(3)30(25)23-11-8-12-26(31-4)27(22)23;2-1(3,4)8(5,6)7/h5-18H,1-4H3;(H,5,6,7)/q+1;/p-1"	C[N+]1=C(C=C\\2N1C3=C(/C2=C/C4=CC=C(C=C4)N(C)C)C(=CC=C3)OC)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]	XGORZNIMCBDBEA-UHFFFAOYSA-M
DG62896	"(3E,6E)-3-[(4-methoxyphenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione"	5471994	NSC715804; CHEMBL1996352; SCHEMBL14371039; NSC-715804	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715804	.	.	.	.	427.5	C25H21N3O4	89.6	721	3.3	32	2	5	6	"InChI=1S/C25H21N3O4/c1-31-20-10-7-17(8-11-20)13-22-24(29)28-23(25(30)27-22)14-19-9-12-21(15-26-19)32-16-18-5-3-2-4-6-18/h2-15H,16H2,1H3,(H,27,30)(H,28,29)/b22-13+,23-14+"	COC1=CC=C(C=C1)/C=C/2\\C(=O)N/C(=C/C3=NC=C(C=C3)OCC4=CC=CC=C4)/C(=O)N2	ZYBROJMDRVVDRZ-MSKUYSOUSA-N
DG62897	"(3E,6E)-3-[(4-fluorophenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione"	5471995	NSC715805; CHEMBL1998666; SCHEMBL14371037; NSC-715805	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715805	.	.	.	.	415.4	C24H18FN3O3	80.3	709	3.5	31	2	5	5	"InChI=1S/C24H18FN3O3/c25-18-8-6-16(7-9-18)12-21-23(29)28-22(24(30)27-21)13-19-10-11-20(14-26-19)31-15-17-4-2-1-3-5-17/h1-14H,15H2,(H,27,30)(H,28,29)/b21-12+,22-13+"	C1=CC=C(C=C1)COC2=CN=C(C=C2)/C=C/3\\C(=O)N/C(=C/C4=CC=C(C=C4)F)/C(=O)N3	HQPQWCNQDIUAPF-ADYPVIEZSA-N
DG62898	"(3E,6E)-3-[(4-chlorophenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione"	5471996	NSC715806; CHEMBL1968529; SCHEMBL14371038; NSC-715806	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715806	.	.	.	.	431.9	C24H18ClN3O3	80.3	709	4	31	2	4	5	"InChI=1S/C24H18ClN3O3/c25-18-8-6-16(7-9-18)12-21-23(29)28-22(24(30)27-21)13-19-10-11-20(14-26-19)31-15-17-4-2-1-3-5-17/h1-14H,15H2,(H,27,30)(H,28,29)/b21-12+,22-13+"	C1=CC=C(C=C1)COC2=CN=C(C=C2)/C=C/3\\C(=O)N/C(=C/C4=CC=C(C=C4)Cl)/C(=O)N3	WPJZPZBORZAEIH-ADYPVIEZSA-N
DG62899	"(3E,6E)-3-[(5-phenylmethoxypyridin-2-yl)methylidene]-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione"	5472000	NSC715810; SCHEMBL4724267; CHEMBL2000208; NSC-715810	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715810	.	.	.	.	403.5	C22H17N3O3S	109	672	3.1	29	2	5	5	"InChI=1S/C22H17N3O3S/c26-21-19(24-22(27)20(25-21)12-18-7-4-10-29-18)11-16-8-9-17(13-23-16)28-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,24,27)(H,25,26)/b19-11+,20-12+"	C1=CC=C(C=C1)COC2=CN=C(C=C2)/C=C/3\\C(=O)N/C(=C/C4=CC=CS4)/C(=O)N3	KKCZFEVBVDCMBU-AYKLPDECSA-N
DG62900	"(3E,6E)-3-[(5-phenylmethoxypyridin-2-yl)methylidene]-6-(pyridin-3-ylmethylidene)piperazine-2,5-dione"	5472001	NSC715811; CHEMBL1987101; SCHEMBL14371042; NSC-715811	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715811	.	.	.	.	398.4	C23H18N4O3	93.2	684	2.3	30	2	5	5	"InChI=1S/C23H18N4O3/c28-22-20(11-17-7-4-10-24-13-17)26-23(29)21(27-22)12-18-8-9-19(14-25-18)30-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,26,29)(H,27,28)/b20-11+,21-12+"	C1=CC=C(C=C1)COC2=CN=C(C=C2)/C=C/3\\C(=O)N/C(=C/C4=CN=CC=C4)/C(=O)N3	FSSUZFFQYUGQQC-HGEIODPWSA-N
DG62901	"(3E,6E)-3-(2-oxo-1H-indol-3-ylidene)-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione"	5472002	NSC715812; CHEMBL1996146; SCHEMBL14371056; NSC-715812	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715812	.	.	.	.	438.4	C25H18N4O4	109	861	2.1	33	3	5	4	"InChI=1S/C25H18N4O4/c30-23-20(12-16-10-11-17(13-26-16)33-14-15-6-2-1-3-7-15)28-25(32)22(29-23)21-18-8-4-5-9-19(18)27-24(21)31/h1-13H,14H2,(H,27,31)(H,28,32)(H,29,30)/b20-12+,22-21+"	C1=CC=C(C=C1)COC2=CN=C(C=C2)/C=C/3\\C(=O)N/C(=C/4\\C5=CC=CC=C5NC4=O)/C(=O)N3	PGCSTFGLXYCKJU-DERSFYRZSA-N
DG62902	"(Z)-4-(4-bromophenyl)-1,1,1-trichloro-4-(2-hydroxyanilino)but-3-en-2-one"	5472004	NSC715843; CHEMBL1984419; NSC-715843	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715843	.	.	.	.	435.5	C16H11BrCl3NO2	49.3	445	6.1	23	2	3	4	"InChI=1S/C16H11BrCl3NO2/c17-11-7-5-10(6-8-11)13(9-15(23)16(18,19)20)21-12-3-1-2-4-14(12)22/h1-9,21-22H/b13-9-"	C1=CC=C(C(=C1)N/C(=C\\C(=O)C(Cl)(Cl)Cl)/C2=CC=C(C=C2)Br)O	SCGZNAYQVMRDPU-LCYFTJDESA-N
DG62903	"4-methyl-3-[4-[2-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione"	5472009	NSC715974; CHEMBL1992404; NSC-715974; NCI60_040047	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715974	.	.	.	.	423.5	C18H17N9S2	156	734	3.4	29	3	7	5	"InChI=1S/C18H17N9S2/c1-26-15(21-23-17(26)28)11-3-7-13(8-4-11)19-25-20-14-9-5-12(6-10-14)16-22-24-18(29)27(16)2/h3-10H,1-2H3,(H,19,20)(H,23,28)(H,24,29)"	CN1C(=NNC1=S)C2=CC=C(C=C2)NN=NC3=CC=C(C=C3)C4=NNC(=S)N4C	YYOTXUCIIYJFRW-UHFFFAOYSA-N
DG62904	"4-ethyl-3-[4-[2-[4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione"	5472010	NSC715975; CHEMBL1974238; NSC-715975; NCI60_040048	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715975	.	.	.	.	451.6	C20H21N9S2	156	765	4.2	31	3	7	7	"InChI=1S/C20H21N9S2/c1-3-28-17(23-25-19(28)30)13-5-9-15(10-6-13)21-27-22-16-11-7-14(8-12-16)18-24-26-20(31)29(18)4-2/h5-12H,3-4H2,1-2H3,(H,21,22)(H,25,30)(H,26,31)"	CCN1C(=NNC1=S)C2=CC=C(C=C2)NN=NC3=CC=C(C=C3)C4=NNC(=S)N4CC	OSYVDUIEHYXQPQ-UHFFFAOYSA-N
DG62905	NSC715976	5472011	"4-prop-2-enyl-3-[4-[2-[4-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione; NSC715976; CHEMBL1997018; NSC-715976; NCI60_040049"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715976	.	.	.	.	475.6	C22H21N9S2	156	852	4.7	33	3	7	9	"InChI=1S/C22H21N9S2/c1-3-13-30-19(25-27-21(30)32)15-5-9-17(10-6-15)23-29-24-18-11-7-16(8-12-18)20-26-28-22(33)31(20)14-4-2/h3-12H,1-2,13-14H2,(H,23,24)(H,27,32)(H,28,33)"	C=CCN1C(=NNC1=S)C2=CC=C(C=C2)NN=NC3=CC=C(C=C3)C4=NNC(=S)N4CC=C	ALBGXRVJWNBOHY-UHFFFAOYSA-N
DG62906	3-Bromo-1-oxo-2-phenylthiochromen-4-one	5472015	CHEMBL1992901; NSC715997; NSC-715997; NCI60_040059	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715997	.	.	.	.	333.2	C15H9BrO2S	53.4	437	3.3	19	0	3	1	InChI=1S/C15H9BrO2S/c16-13-14(17)11-8-4-5-9-12(11)19(18)15(13)10-6-2-1-3-7-10/h1-9H	C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3S2=O)Br	PRRUTZLYWDIZDZ-UHFFFAOYSA-N
DG62907	(5Z)-5-(furan-2-ylmethylidene)-2-phenyl-3-(5-phenylsulfanyl-1H-indol-2-yl)imidazol-4-one	5472058	NSC716163; CHEMBL2006867; NSC-716163	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716163	.	.	.	.	461.5	C28H19N3O2S	86.9	802	6.4	34	1	4	5	"InChI=1S/C28H19N3O2S/c32-28-25(18-21-10-7-15-33-21)30-27(19-8-3-1-4-9-19)31(28)26-17-20-16-23(13-14-24(20)29-26)34-22-11-5-2-6-12-22/h1-18,29H/b25-18-"	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=CO3)/C(=O)N2C4=CC5=C(N4)C=CC(=C5)SC6=CC=CC=C6	BGAAASLCWGIBDS-BWAHOGKJSA-N
DG62908	(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-phenylsulfanyl-1H-indol-2-yl)imidazol-4-one	5472059	NSC716164; CHEMBL1997096; NSC-716164	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716164	.	.	.	.	517.6	C31H23N3O3S	103	897	6.9	38	2	5	6	"InChI=1S/C31H23N3O3S/c1-37-28-17-20(12-15-27(28)35)16-26-31(36)34(30(33-26)21-8-4-2-5-9-21)29-19-22-18-24(13-14-25(22)32-29)38-23-10-6-3-7-11-23/h2-19,32,35H,1H3/b26-16-"	COC1=C(C=CC(=C1)/C=C\\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC5=C(N4)C=CC(=C5)SC6=CC=CC=C6)O	HOUXLYIVSIWMPG-QQXSKIMKSA-N
DG62909	(5Z)-5-benzylidene-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one	5472064	NSC716169; CHEMBL2001781; NSC-716169	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716169	.	.	.	.	437.6	C27H23N3OS	73.8	722	6.6	32	1	3	6	"InChI=1S/C27H23N3OS/c1-2-15-32-22-13-14-23-21(17-22)18-25(28-23)30-26(20-11-7-4-8-12-20)29-24(27(30)31)16-19-9-5-3-6-10-19/h3-14,16-18,28H,2,15H2,1H3/b24-16-"	CCCSC1=CC2=C(C=C1)NC(=C2)N3C(=N/C(=C\\C4=CC=CC=C4)/C3=O)C5=CC=CC=C5	ALTSAPVIDQNIQK-JLPGSUDCSA-N
DG62910	(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one	5472066	NSC716171; CHEMBL1985720; NSC-716171	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716171	.	.	.	.	483.6	C28H25N3O3S	103	811	6.2	35	2	5	7	"InChI=1S/C28H25N3O3S/c1-3-13-35-21-10-11-22-20(16-21)17-26(29-22)31-27(19-7-5-4-6-8-19)30-23(28(31)33)14-18-9-12-24(32)25(15-18)34-2/h4-12,14-17,29,32H,3,13H2,1-2H3/b23-14-"	CCCSC1=CC2=C(C=C1)NC(=C2)N3C(=N/C(=C\\C4=CC(=C(C=C4)O)OC)/C3=O)C5=CC=CC=C5	RSKSGANXKWNKJD-UCQKPKSFSA-N
DG62911	(5Z)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one	5472067	NSC716172; CHEMBL1985648; NSC-716172	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716172	.	.	.	.	483.7	C28H25N3OS2	99.1	770	7.1	34	1	4	7	"InChI=1S/C28H25N3OS2/c1-3-15-34-23-13-14-24-21(17-23)18-26(29-24)31-27(20-7-5-4-6-8-20)30-25(28(31)32)16-19-9-11-22(33-2)12-10-19/h4-14,16-18,29H,3,15H2,1-2H3/b25-16-"	CCCSC1=CC2=C(C=C1)NC(=C2)N3C(=N/C(=C\\C4=CC=C(C=C4)SC)/C3=O)C5=CC=CC=C5	AYCSBUBFBOIHHL-XYGWBWBKSA-N
DG62912	"(5Z)-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one"	5472068	NSC716173; CHEMBL1978029; NSC-716173	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716173	.	.	.	.	527.6	C30H29N3O4S	101	862	6.5	38	1	6	9	"InChI=1S/C30H29N3O4S/c1-5-13-38-22-11-12-23-21(17-22)18-27(31-23)33-29(20-9-7-6-8-10-20)32-24(30(33)34)14-19-15-25(35-2)28(37-4)26(16-19)36-3/h6-12,14-18,31H,5,13H2,1-4H3/b24-14-"	CCCSC1=CC2=C(C=C1)NC(=C2)N3C(=N/C(=C\\C4=CC(=C(C(=C4)OC)OC)OC)/C3=O)C5=CC=CC=C5	QLXCRSBVRPQPDE-OYKKKHCWSA-N
DG62913	4-acetamido-N-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-ethoxybenzamide	5472079	NSC716186; CHEMBL2006130; NSC-716186	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716186	.	.	.	.	502.9	C27H23ClN4O4	100	877	4.5	36	2	5	6	"InChI=1S/C27H23ClN4O4/c1-3-36-24-16-21(29-17(2)33)13-14-22(24)26(34)31-32-25(19-7-5-4-6-8-19)30-23(27(32)35)15-18-9-11-20(28)12-10-18/h4-16H,3H2,1-2H3,(H,29,33)(H,31,34)/b23-15-"	CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(=N/C(=C\\C3=CC=C(C=C3)Cl)/C2=O)C4=CC=CC=C4	ZKBVOYHJKNCKRJ-HAHDFKILSA-N
DG62914	Kendomycin	5472093	"Kendomycin; 183202-73-5; (1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-3,9,21-trihydroxy-5,10,12,14,16,20,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-4-one; SCHEMBL4748055; DTXSID40420223; TAN 2162; NSC716244; ZINC28536590; NSC-716244; Kendomycin from Streptomyces violaceoruber; HY-121300; CS-0081390; Q262602; 1,9-Diepoxybenzocyclooctadecen-3(5H)-one, 6,7,8,9,10,11,12,15,16,17,18,19-dodecahydro- 4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-, (5R,6R,7S,8R,9R,12S,13E,16S,18S,19S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716244	.	.	.	.	486.6	C29H42O6	96.2	1000	4	35	3	6	0	"InChI=1S/C29H42O6/c1-14-8-9-22-18(5)24(30)19(6)28(34-22)23-21-13-29(33,17(4)12-16(3)11-15(2)10-14)35-27(21)20(7)25(31)26(23)32/h10,13-14,16-19,22,24,28,30,32-33H,8-9,11-12H2,1-7H3/b15-10+/t14-,16+,17-,18-,19+,22+,24-,28+,29+/m0/s1"	C[C@H]\\1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C3=C(C(=O)C(=C4C3=C[C@@](O4)([C@H](C[C@@H](C/C(=C1)/C)C)C)O)C)O)C)O)C	HKLDUJXJTQJSEJ-OLXNOMCWSA-N
DG62915	NSC716257	5472094	"[(3S,8R,9S,10R,13S,14S,16E)-16-[(3,4-dimethoxyphenyl)methylidene]-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; NSC716257; CHEMBL1988397; NSC-716257"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716257	.	.	.	.	478.6	C30H38O5	61.8	920	5.6	35	0	5	5	"InChI=1S/C30H38O5/c1-18(31)35-22-10-12-29(2)21(17-22)7-8-23-24(29)11-13-30(3)25(23)16-20(28(30)32)14-19-6-9-26(33-4)27(15-19)34-5/h6-7,9,14-15,22-25H,8,10-13,16-17H2,1-5H3/b20-14+/t22-,23+,24-,25-,29-,30-/m0/s1"	CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)C/C(=C\\C5=CC(=C(C=C5)OC)OC)/C4=O)C)C	VKZSCDXXGOZHPA-UGZGSORHSA-N
DG62916	NSC716259	5472096	"(8R,9S,10R,13S,14S,16E)-16-[(3,4-dimethoxyphenyl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione; NSC716259; CHEMBL1967980; NSC-716259"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716259	.	.	.	.	434.6	C28H34O4	52.6	856	5	32	0	4	3	"InChI=1S/C28H34O4/c1-27-11-9-20(29)16-19(27)6-7-21-22(27)10-12-28(2)23(21)15-18(26(28)30)13-17-5-8-24(31-3)25(14-17)32-4/h5,8,13-14,16,21-23H,6-7,9-12,15H2,1-4H3/b18-13+/t21-,22+,23+,27+,28+/m1/s1"	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\\C5=CC(=C(C=C5)OC)OC)/C4=O)C	SSJWRCJDABBSEM-AGWLWAPNSA-N
DG62917	NSC716261	5472098	"(3S,8R,9S,10R,13S,14S,16E)-3-hydroxy-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one; NSC716261; CHEMBL1991326; ZINC6040813; NSC-716261"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716261	.	.	.	.	421.5	C26H31NO4	83.1	833	5.1	31	1	4	1	"InChI=1S/C26H31NO4/c1-25-11-9-20(28)15-18(25)5-8-21-22(25)10-12-26(2)23(21)14-17(24(26)29)13-16-3-6-19(7-4-16)27(30)31/h3-7,13,20-23,28H,8-12,14-15H2,1-2H3/b17-13+/t20-,21+,22-,23-,25-,26-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\\C5=CC=C(C=C5)[N+](=O)[O-])/C4=O)C)O	LGWMHNQKTCVZTP-MOLOORIASA-N
DG62918	NSC716263	5472100	"(8R,9S,10R,13S,14S,16E)-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione; NSC716263; CHEMBL2004066; NSC-716263"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716263	.	.	.	.	419.5	C26H29NO4	80	874	4.6	31	0	4	1	"InChI=1S/C26H29NO4/c1-25-11-9-20(28)15-18(25)5-8-21-22(25)10-12-26(2)23(21)14-17(24(26)29)13-16-3-6-19(7-4-16)27(30)31/h3-4,6-7,13,15,21-23H,5,8-12,14H2,1-2H3/b17-13+/t21-,22+,23+,25+,26+/m1/s1"	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\\C5=CC=C(C=C5)[N+](=O)[O-])/C4=O)C	HIMMMBGXCVQTKO-CGPFZWBSSA-N
DG62919	NSC716264	5472101	"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol; NSC716264; CHEMBL1982586; ZINC6040816; NSC-716264"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716264	.	.	.	.	423.5	C26H33NO4	86.3	792	4.5	31	2	4	1	"InChI=1S/C26H33NO4/c1-25-11-9-20(28)15-18(25)5-8-21-22(25)10-12-26(2)23(21)14-17(24(26)29)13-16-3-6-19(7-4-16)27(30)31/h3-7,13,20-24,28-29H,8-12,14-15H2,1-2H3/b17-13+/t20-,21+,22-,23-,24-,25-,26-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\\C5=CC=C(C=C5)[N+](=O)[O-])/[C@@H]4O)C)O	CHCOIPAZGMXLFP-VFAPJLIGSA-N
DG62920	2-methyl-5-nitro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide	5472102	NSC716265; CHEMBL1995412; NSC-716265	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716265	.	.	.	.	422.5	C22H18N2O5S	117	726	4.4	30	1	6	6	"InChI=1S/C22H18N2O5S/c1-16-7-13-20(24(26)27)15-22(16)30(28,29)23-19-11-9-18(10-12-19)21(25)14-8-17-5-3-2-4-6-17/h2-15,23H,1H3/b14-8+"	CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC=CC=C3	SSYUTLIESGYZOX-RIYZIHGNSA-N
DG62921	2-methyl-5-nitro-N-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]benzenesulfonamide	5472105	NSC716268; CHEMBL1991475; NSC-716268	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716268	.	.	.	.	428.5	C20H16N2O5S2	146	720	4.1	29	1	7	6	"InChI=1S/C20H16N2O5S2/c1-14-4-9-17(22(24)25)13-20(14)29(26,27)21-16-7-5-15(6-8-16)19(23)11-10-18-3-2-12-28-18/h2-13,21H,1H3/b11-10+"	CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC=CS3	GTNWXKLPDQMOGT-ZHACJKMWSA-N
DG62922	1-(1H-Benzimidazol-2-yl)-3-(4-chlorophenyl)-2-propen-1-one	5472116	"NSC716333; 1-(1H-Benzimidazol-2-yl)-3-(4-chlorophenyl)-2-propen-1-one; 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-; CHEMBL1996220; AKOS002679953; NSC-716333; 36998-77-3; (2E)-1-(1H-Benzoimidazole-2-yl)-3-(4-chlorophenyl)-2-propene-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716333	.	.	.	.	282.72	C16H11ClN2O	45.8	377	4.2	20	1	2	3	"InChI=1S/C16H11ClN2O/c17-12-8-5-11(6-9-12)7-10-15(20)16-18-13-3-1-2-4-14(13)19-16/h1-10H,(H,18,19)/b10-7+"	C1=CC=C2C(=C1)NC(=N2)C(=O)/C=C/C3=CC=C(C=C3)Cl	VLOYJJMQBUMMMP-JXMROGBWSA-N
DG62923	(E)-1-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one	5472117	NSC716334; CHEMBL2003644; ZINC5634442; AKOS024280926; NSC-716334	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716334	.	.	.	.	294.4	C17H14N2OS	71	390	4.1	21	1	3	4	"InChI=1S/C17H14N2OS/c1-21-13-9-6-12(7-10-13)8-11-16(20)17-18-14-4-2-3-5-15(14)19-17/h2-11H,1H3,(H,18,19)/b11-8+"	CSC1=CC=C(C=C1)/C=C/C(=O)C2=NC3=CC=CC=C3N2	MYLVIEHSGLPOQS-DHZHZOJOSA-N
DG62924	"2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide"	5472124	NSC716347; CHEMBL1968021; NSC-716347	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716347	.	.	.	.	655.7	C30H16Cl5N5O2	90.4	1080	8.7	42	2	4	4	"InChI=1S/C30H16Cl5N5O2/c31-17-12-10-15(11-13-17)14-20-30(42)40(28(38-20)16-6-2-1-3-7-16)39-29(41)22-21(23(32)25(34)26(35)24(22)33)27-36-18-8-4-5-9-19(18)37-27/h1-14H,(H,36,37)(H,39,41)/b20-14-"	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=C(C=C3)Cl)/C(=O)N2NC(=O)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C5=NC6=CC=CC=C6N5	LKJHVKWHVKZZHS-ZHZULCJRSA-N
DG62925	NSC716348	5472125	"2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide; NSC716348; CHEMBL1992763; NSC-716348"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716348	.	.	.	.	667.4	C31H19Cl4N5O2S	116	1100	8.6	43	2	5	5	"InChI=1S/C31H19Cl4N5O2S/c1-43-18-13-11-16(12-14-18)15-21-31(42)40(29(38-21)17-7-3-2-4-8-17)39-30(41)23-22(24(32)26(34)27(35)25(23)33)28-36-19-9-5-6-10-20(19)37-28/h2-15H,1H3,(H,36,37)(H,39,41)/b21-15-"	CSC1=CC=C(C=C1)/C=C\\2/C(=O)N(C(=N2)C3=CC=CC=C3)NC(=O)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C5=NC6=CC=CC=C6N5	ABXXNGNVPYECNJ-QNGOZBTKSA-N
DG62926	"(E)-2-(1H benzo[d]imidazol-2-yl)-3,5,6 tetrachloro-N'-cinnamoylbenzohydrazide"	5472127	"NSC716356; CHEMBL1968922; NSC-716356; (E)-2-(1H benzo[d]imidazol-2-yl)-3,5,6 tetrachloro-N'-cinnamoylbenzohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716356	.	.	.	.	520.2	C23H14Cl4N4O2	86.9	735	6.5	33	3	3	4	"InChI=1S/C23H14Cl4N4O2/c24-18-16(22-28-13-8-4-5-9-14(13)29-22)17(19(25)21(27)20(18)26)23(33)31-30-15(32)11-10-12-6-2-1-3-7-12/h1-11H,(H,28,29)(H,30,32)(H,31,33)/b11-10+"	C1=CC=C(C=C1)/C=C/C(=O)NNC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=CC=CC=C4N3	HYAHHJBISOQGQT-ZHACJKMWSA-N
DG62927	"3-(2,3-Dihydro-1H-inden-5-YL)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide"	5472130	"NSC716416; CHEMBL1993631; AKOS024328860; MCULE-8776430095; NSC-716416; NCI60_040254; 3-(2,3-DIHYDRO-1H-INDEN-5-YL)-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOTHIOAMIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716416	.	.	.	.	321.4	C19H19N3S	73.7	483	3.6	23	1	2	2	"InChI=1S/C19H19N3S/c20-19(23)22-18(14-5-2-1-3-6-14)12-17(21-22)16-10-9-13-7-4-8-15(13)11-16/h1-3,5-6,9-11,18H,4,7-8,12H2,(H2,20,23)"	C1CC2=C(C1)C=C(C=C2)C3=NN(C(C3)C4=CC=CC=C4)C(=S)N	UOFGGXWLFXZHLA-UHFFFAOYSA-N
DG62928	NSC716559	5472144	"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-3-pyrrolidin-1-yl-1,2,3,6,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol; NSC716559; CHEMBL1973338; NSC-716559"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716559	.	.	.	.	432.6	C29H40N2O	36.4	776	4.8	32	1	3	2	"InChI=1S/C29H40N2O/c1-28-11-7-23(31-15-3-4-16-31)19-22(28)5-6-24-25(28)8-12-29(2)26(24)18-21(27(29)32)17-20-9-13-30-14-10-20/h9-10,13-14,17,19,23-27,32H,3-8,11-12,15-16,18H2,1-2H3/b21-17+/t23-,24+,25-,26-,27-,28-,29-/m0/s1"	C[C@]12CC[C@@H](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\\C5=CC=NC=C5)/[C@@H]4O)C)N6CCCC6	SEMWNMDNLBLNSK-RKXRPQCWSA-N
DG62929	"5,7-dihydroxy-2-[3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one"	5472156	NSC716722; CHEMBL1977731; NSC-716722	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716722	.	.	.	.	438.5	C26H30O6	96.2	709	5	32	3	6	6	"InChI=1S/C26H30O6/c1-15(2)6-7-16-10-18(11-17(25(16)31-5)8-9-26(3,4)30)22-14-21(29)24-20(28)12-19(27)13-23(24)32-22/h6,8-13,22,27-28,30H,7,14H2,1-5H3/b9-8+"	CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)/C=C/C(C)(C)O)OC)C	BOBWTYODGOYWRC-CMDGGOBGSA-N
DG62930	N-[(4-methoxy-2-nitrophenyl)carbamothioyl]phenoxathiine-2-carboxamide	5472173	NSC716795; CHEMBL1970293; NSC-716795; NCI60_040358	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716795	.	.	.	.	453.5	C21H15N3O5S2	163	690	5	31	2	7	3	"InChI=1S/C21H15N3O5S2/c1-28-13-7-8-14(15(11-13)24(26)27)22-21(30)23-20(25)12-6-9-17-19(10-12)31-18-5-3-2-4-16(18)29-17/h2-11H,1H3,(H2,22,23,25,30)"	COC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3)[N+](=O)[O-]	WQOBBGURQULTDJ-UHFFFAOYSA-N
DG62931	N-[(4-bromophenyl)carbamothioyl]phenoxathiine-2-carboxamide	5472174	NSC716796; CHEMBL2000796; NSC-716796; NCI60_040359	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716796	.	.	.	.	457.4	C20H13BrN2O2S2	108	556	5.9	27	2	4	2	"InChI=1S/C20H13BrN2O2S2/c21-13-6-8-14(9-7-13)22-20(26)23-19(24)12-5-10-16-18(11-12)27-17-4-2-1-3-15(17)25-16/h1-11H,(H2,22,23,24,26)"	C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)C(=O)NC(=S)NC4=CC=C(C=C4)Br	VIGFHHIGLOQFEF-UHFFFAOYSA-N
DG62932	ethyl 3-(3-ethoxy-3-oxopropyl)-5-[(E)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylate	5472185	NSC716812; CHEMBL1966037; NSC-716812	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716812	.	.	.	.	388.5	C21H28N2O5	97.5	682	2.7	28	2	5	10	"InChI=1S/C21H28N2O5/c1-6-14-13(5)20(25)23-17(14)11-16-12(4)15(9-10-18(24)27-7-2)19(22-16)21(26)28-8-3/h11,22H,6-10H2,1-5H3,(H,23,25)/b17-11+"	CCC\\1=C(C(=O)N/C1=C/C2=C(C(=C(N2)C(=O)OCC)CCC(=O)OCC)C)C	QHLGEWFJGYRRAC-GZTJUZNOSA-N
DG62933	"(4R)-4-(4-chlorophenyl)-6-(2,4-dichloro-5-fluorophenyl)-3,4-dihydro-1H-pyrimidine-2-thione"	5472190	NSC716878; CHEMBL1966135; NSC-716878; NCI60_040393	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716878	.	.	.	.	387.7	C16H10Cl3FN2S	56.2	482	5.3	23	2	2	2	"InChI=1S/C16H10Cl3FN2S/c17-9-3-1-8(2-4-9)14-7-15(22-16(23)21-14)10-5-13(20)12(19)6-11(10)18/h1-7,14H,(H2,21,22,23)/t14-/m1/s1"	C1=CC(=CC=C1[C@H]2C=C(NC(=S)N2)C3=CC(=C(C=C3Cl)Cl)F)Cl	NMUSIXPXNCKSRC-CQSZACIVSA-N
DG62934	"(4R)-4-(1,3-benzodioxol-5-yl)-6-(2,4-dichloro-5-fluorophenyl)-3,4-dihydro-1H-pyrimidine-2-thione"	5472192	NSC716880; CHEMBL1971012; NSC-716880; NCI60_040395	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716880	.	.	.	.	397.2	C17H11Cl2FN2O2S	74.6	567	4.5	25	2	4	2	"InChI=1S/C17H11Cl2FN2O2S/c18-10-5-11(19)12(20)4-9(10)14-6-13(21-17(25)22-14)8-1-2-15-16(3-8)24-7-23-15/h1-6,13H,7H2,(H2,21,22,25)/t13-/m1/s1"	C1OC2=C(O1)C=C(C=C2)[C@H]3C=C(NC(=S)N3)C4=CC(=C(C=C4Cl)Cl)F	WRYGXESUOVZTCZ-CYBMUJFWSA-N
DG62935	NSC716881	5472193	"(2Z,5R)-5-(4-chlorophenyl)-7-(2,4-dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one; NSC716881; CHEMBL1996403; NSC-716881"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716881	.	.	.	.	650.8	C29H14Cl5FN2O2S	71.1	1070	9.8	40	0	5	4	"InChI=1S/C29H14Cl5FN2O2S/c30-15-3-1-14(2-4-15)25-13-24(19-11-23(35)22(34)12-21(19)33)36-29-37(25)28(38)27(40-29)10-17-6-8-26(39-17)18-7-5-16(31)9-20(18)32/h1-13,25H/b27-10-/t25-/m1/s1"	C1=CC(=CC=C1[C@H]2C=C(N=C3N2C(=O)/C(=C/C4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl)/S3)C6=CC(=C(C=C6Cl)Cl)F)Cl	UFWTWFVYUCPJBY-BBPCAZHFSA-N
DG62936	NSC716882	5472194	"(2Z,5R)-7-(2,4-dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one; NSC716882; CHEMBL1988637; NSC-716882"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716882	.	.	.	.	646.3	C30H17Cl4FN2O3S	80.3	1090	9.1	41	0	6	5	"InChI=1S/C30H17Cl4FN2O3S/c1-39-17-5-2-15(3-6-17)26-14-25(20-12-24(35)23(34)13-22(20)33)36-30-37(26)29(38)28(41-30)11-18-7-9-27(40-18)19-8-4-16(31)10-21(19)32/h2-14,26H,1H3/b28-11-/t26-/m1/s1"	COC1=CC=C(C=C1)[C@H]2C=C(N=C3N2C(=O)/C(=C/C4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl)/S3)C6=CC(=C(C=C6Cl)Cl)F	HUVDTWPETIHQJH-VVUHKRQXSA-N
DG62937	NSC716883	5472195	"(2Z,5R)-5-(1,3-benzodioxol-5-yl)-7-(2,4-dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one; NSC716883; CHEMBL1969924; NSC-716883"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716883	.	.	.	.	660.3	C30H15Cl4FN2O4S	89.6	1160	9	42	0	7	4	"InChI=1S/C30H15Cl4FN2O4S/c31-15-2-4-17(19(32)8-15)25-6-3-16(41-25)9-28-29(38)37-24(14-1-5-26-27(7-14)40-13-39-26)12-23(36-30(37)42-28)18-10-22(35)21(34)11-20(18)33/h1-12,24H,13H2/b28-9-/t24-/m1/s1"	C1OC2=C(O1)C=C(C=C2)[C@H]3C=C(N=C4N3C(=O)/C(=C/C5=CC=C(O5)C6=C(C=C(C=C6)Cl)Cl)/S4)C7=CC(=C(C=C7Cl)Cl)F	ZTHHSRYRJFSPIK-GZGSKEKVSA-N
DG62938	NSC716884	5472196	"(2Z,5R)-5-(4-chlorophenyl)-7-(2,4-dichloro-5-fluorophenyl)-2-[(5-nitrofuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one; NSC716884; CHEMBL1992860; NSC-716884"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716884	.	.	.	.	550.8	C23H11Cl3FN3O4S	117	968	7	35	0	7	3	"InChI=1S/C23H11Cl3FN3O4S/c24-12-3-1-11(2-4-12)19-10-18(14-8-17(27)16(26)9-15(14)25)28-23-29(19)22(31)20(35-23)7-13-5-6-21(34-13)30(32)33/h1-10,19H/b20-7-/t19-/m1/s1"	C1=CC(=CC=C1[C@H]2C=C(N=C3N2C(=O)/C(=C/C4=CC=C(O4)[N+](=O)[O-])/S3)C5=CC(=C(C=C5Cl)Cl)F)Cl	OGIMDGGIKKMQKL-XXFXOPOGSA-N
DG62939	NSC716885	5472197	"(2Z,5R)-5-(1,3-benzodioxol-5-yl)-7-(2,4-dichloro-5-fluorophenyl)-2-[(5-nitrofuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one; NSC716885; CHEMBL1995799; NSC-716885"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716885	.	.	.	.	560.3	C24H12Cl2FN3O6S	135	1060	6.2	37	0	9	3	"InChI=1S/C24H12Cl2FN3O6S/c25-14-8-15(26)16(27)7-13(14)17-9-18(11-1-3-19-20(5-11)35-10-34-19)29-23(31)21(37-24(29)28-17)6-12-2-4-22(36-12)30(32)33/h1-9,18H,10H2/b21-6-/t18-/m1/s1"	C1OC2=C(O1)C=C(C=C2)[C@H]3C=C(N=C4N3C(=O)/C(=C/C5=CC=C(O5)[N+](=O)[O-])/S4)C6=CC(=C(C=C6Cl)Cl)F	VGJKKOWTTJWXDL-JYFLPCGMSA-N
DG62940	NSC716887	5472199	"4-amino-3-[[4-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-1H-1,2,4-triazole-5-thione; NSC716887; CHEMBL1998064; NSC-716887; NCI60_040401"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716887	.	.	.	.	457	C16H21ClN8O2S2	190	728	2.2	29	4	8	7	"InChI=1S/C16H21ClN8O2S2/c1-16(2,3)8-4-11(27-7-13-21-23-15(29)25(13)19)9(17)5-10(8)26-6-12-20-22-14(28)24(12)18/h4-5H,6-7,18-19H2,1-3H3,(H,22,28)(H,23,29)"	CC(C)(C)C1=CC(=C(C=C1OCC2=NNC(=S)N2N)Cl)OCC3=NNC(=S)N3N	VQCSIMNXTNBVMD-UHFFFAOYSA-N
DG62941	NSC716899	5472203	"3-[[2,5-dichloro-4-[(6-sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]phenoxy]methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione; NSC716899; CHEMBL2001528; NSC-716899; NCI60_040406"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716899	.	.	.	.	519.4	C14H8Cl2N8O2S4	219	644	3.4	30	2	10	6	"InChI=1S/C14H8Cl2N8O2S4/c15-5-1-7(25-3-9-17-19-11-23(9)21-13(27)29-11)6(16)2-8(5)26-4-10-18-20-12-24(10)22-14(28)30-12/h1-2H,3-4H2,(H,21,27)(H,22,28)"	C1=C(C(=CC(=C1Cl)OCC2=NN=C3N2NC(=S)S3)Cl)OCC4=NN=C5N4NC(=S)S5	WWRCXWYAGRLPMB-UHFFFAOYSA-N
DG62942	"3,3'-[(1,3-Phenylene)bis(oxymethylene)]bis(4-amino-4H-1,2,4-triazole-5-thiol)"	5472204	"NSC716900; CHEMBL1998786; NSC-716900; NCI60_040407; 3,3'-[(1,3-Phenylene)bis(oxymethylene)]bis(4-amino-4H-1,2,4-triazole-5-thiol)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716900	.	.	.	.	366.4	C12H14N8O2S2	190	535	-0.1	24	4	8	6	"InChI=1S/C12H14N8O2S2/c13-19-9(15-17-11(19)23)5-21-7-2-1-3-8(4-7)22-6-10-16-18-12(24)20(10)14/h1-4H,5-6,13-14H2,(H,17,23)(H,18,24)"	C1=CC(=CC(=C1)OCC2=NNC(=S)N2N)OCC3=NNC(=S)N3N	WGQZBCJAMJKUBV-UHFFFAOYSA-N
DG62943	NSC716902	5472205	"3-[[3-[(6-sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]phenoxy]methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione; NSC716902; CHEMBL1971839; NSC-716902; NCI60_040408"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716902	.	.	.	.	450.6	C14H10N8O2S4	219	582	2.2	28	2	10	6	"InChI=1S/C14H10N8O2S4/c25-13-19-21-9(15-17-11(21)27-13)5-23-7-2-1-3-8(4-7)24-6-10-16-18-12-22(10)20-14(26)28-12/h1-4H,5-6H2,(H,19,25)(H,20,26)"	C1=CC(=CC(=C1)OCC2=NN=C3N2NC(=S)S3)OCC4=NN=C5N4NC(=S)S5	QSQIREWFEDUDCC-UHFFFAOYSA-N
DG62944	"N-[4-[2-[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-1,3-thiazol-4-yl]phenyl]-3-chloro-4-methoxybenzenesulfonamide"	5472208	NSC716942; CHEMBL2003671; NSC-716942	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716942	.	.	.	.	627.1	C32H23ClN4O4S2	138	1140	6.9	43	1	8	8	"InChI=1S/C32H23ClN4O4S2/c1-41-29-17-16-25(19-26(29)33)43(39,40)36-24-14-12-22(13-15-24)28-20-42-32(35-28)37-30(23-10-6-3-7-11-23)34-27(31(37)38)18-21-8-4-2-5-9-21/h2-20,36H,1H3/b27-18-"	COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(=N/C(=C\\C5=CC=CC=C5)/C4=O)C6=CC=CC=C6)Cl	RKTIYAZGPIMWGE-IMRQLAEWSA-N
DG62945	NSC716945	5472211	"3-chloro-4-methoxy-N-[4-[2-[(4Z)-5-oxo-2-phenyl-4-(thiophen-2-ylmethylidene)imidazol-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide; NSC716945; CHEMBL1986669; NSC-716945"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716945	.	.	.	.	633.2	C30H21ClN4O4S3	166	1130	6.6	42	1	9	8	"InChI=1S/C30H21ClN4O4S3/c1-39-27-14-13-23(17-24(27)31)42(37,38)34-21-11-9-19(10-12-21)26-18-41-30(33-26)35-28(20-6-3-2-4-7-20)32-25(29(35)36)16-22-8-5-15-40-22/h2-18,34H,1H3/b25-16-"	COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(=N/C(=C\\C5=CC=CS5)/C4=O)C6=CC=CC=C6)Cl	SXXUJRSHCWDCNL-XYGWBWBKSA-N
DG62946	"5-[[4-(1,3-Benzoxazol-2-yl)phenyl]diazenyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one"	5472216	NSC716953; CHEMBL1969611; NSC-716953; NCI60_040437	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716953	.	.	.	.	413.5	C22H15N5O2S	115	674	4.8	30	1	6	4	"InChI=1S/C22H15N5O2S/c28-21-19(24-22(30)27(21)16-6-2-1-3-7-16)26-25-15-12-10-14(11-13-15)20-23-17-8-4-5-9-18(17)29-20/h1-13,19H,(H,24,30)"	C1=CC=C(C=C1)N2C(=O)C(NC2=S)N=NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4	RODJQCVRNFGTPL-UHFFFAOYSA-N
DG62947	5-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one	5472217	NSC716954; CHEMBL1969553; NSC-716954; NCI60_040438	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716954	.	.	.	.	412.5	C22H16N6OS	118	673	4.6	30	2	5	4	"InChI=1S/C22H16N6OS/c29-21-20(25-22(30)28(21)16-6-2-1-3-7-16)27-26-15-12-10-14(11-13-15)19-23-17-8-4-5-9-18(17)24-19/h1-13,20H,(H,23,24)(H,25,30)"	C1=CC=C(C=C1)N2C(=O)C(NC2=S)N=NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4	QMUGGXLNDVCLRQ-UHFFFAOYSA-N
DG62948	"[3,4,5-Triacetyloxy-6-[6-benzyl-3,5-bis(sulfanylidene)-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate"	5472225	NSC716966; CHEMBL1999661; NSC-716966; NCI60_040439	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716966	.	.	.	.	565.6	C24H27N3O9S2	206	999	1.7	38	1	12	12	"InChI=1S/C24H27N3O9S2/c1-12(28)32-11-18-19(33-13(2)29)20(34-14(3)30)21(35-15(4)31)23(36-18)27-24(38)25-22(37)17(26-27)10-16-8-6-5-7-9-16/h5-9,18-21,23H,10-11H2,1-4H3,(H,25,37,38)"	CC(=O)OCC1C(C(C(C(O1)N2C(=S)NC(=S)C(=N2)CC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C	GAJIPQHEERENHD-UHFFFAOYSA-N
DG62949	Mappain	5472227	mappain; NSC716997; CHEMBL515325; SCHEMBL19717921; NSC-716997	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716997	.	.	.	.	448.6	C29H36O4	80.9	699	8.5	33	4	4	9	"InChI=1S/C29H36O4/c1-19(2)7-6-8-21(5)10-13-24-15-22(18-28(32)29(24)33)11-12-23-16-26(30)25(27(31)17-23)14-9-20(3)4/h7,9-12,15-18,30-33H,6,8,13-14H2,1-5H3/b12-11+,21-10+"	CC(=CCC/C(=C/CC1=C(C(=CC(=C1)/C=C/C2=CC(=C(C(=C2)O)CC=C(C)C)O)O)O)/C)C	GJZKDVGLDGLPMB-ZVBRSKEYSA-N
DG62950	"1,3-Dihydroxy-6-(4-methylpiperazino)-7-aminoacridine-9(10H)-one"	5472237	"NSC717110; CHEMBL68403; NSC-717110; NCI60_040479; 1,3-Dihydroxy-6-(4-methylpiperazino)-7-aminoacridine-9(10H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717110	.	.	.	.	340.4	C18H20N4O3	102	511	2.1	25	4	7	1	"InChI=1S/C18H20N4O3/c1-21-2-4-22(5-3-21)15-9-13-11(8-12(15)19)18(25)17-14(20-13)6-10(23)7-16(17)24/h6-9,23-24H,2-5,19H2,1H3,(H,20,25)"	CN1CCN(CC1)C2=C(C=C3C(=C2)NC4=C(C3=O)C(=CC(=C4)O)O)N	BOACJVDNRDKLGU-UHFFFAOYSA-N
DG62951	NSC717200	5472243	"(11E)-11-(4-chlorobutylidene)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one; NSC717200; CHEMBL331587; SCHEMBL13498795; NSC-717200"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717200	.	.	.	.	439.9	C24H22ClNO5	57.2	782	3.6	31	0	5	5	"InChI=1S/C24H22ClNO5/c1-26-23-16-10-21-20(30-12-31-21)8-14(16)13(6-4-5-7-25)22(23)15-9-18(28-2)19(29-3)11-17(15)24(26)27/h6,8-11H,4-5,7,12H2,1-3H3/b13-6+"	CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)/C(=C/CCCCl)/C4=CC5=C(C=C42)OCO5	HOJFDDZDJXTKPO-AWNIVKPZSA-N
DG62952	(3Z)-3-[(2-chloro-5-hydroxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one	5472244	NSC717201; CHEMBL1986165; NSC-717201	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717201	.	.	.	.	324.8	C18H13ClN2O2	65.099	523	4	23	3	2	1	"InChI=1S/C18H13ClN2O2/c1-9-6-15-11(8-16(9)22)12(17(19)20-15)7-13-10-4-2-3-5-14(10)21-18(13)23/h2-8,20,22H,1H3,(H,21,23)/b13-7-"	CC1=CC2=C(C=C1O)C(=C(N2)Cl)/C=C\\3/C4=CC=CC=C4NC3=O	FDOYKTRXINPHEN-QPEQYQDCSA-N
DG62953	(3Z)-3-[(2-chloro-5-hydroxy-1H-indol-3-yl)methylidene]-1H-indol-2-one	5472245	NSC717202; CHEMBL1972547; NSC-717202	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717202	.	.	.	.	310.7	C17H11ClN2O2	65.099	495	3.6	22	3	2	1	"InChI=1S/C17H11ClN2O2/c18-16-12(11-7-9(21)5-6-15(11)19-16)8-13-10-3-1-2-4-14(10)20-17(13)22/h1-8,19,21H,(H,20,22)/b13-8-"	C1=CC=C2C(=C1)/C(=C/C3=C(NC4=C3C=C(C=C4)O)Cl)/C(=O)N2	KUWIIHSTSPFZQQ-JYRVWZFOSA-N
DG62954	"2,2'-[(E)-Ethene-1,2-diyl]bis(4,4-dimethyl-2-oxazoline)"	5472250	"NSC717227; CHEMBL2007569; NSC-717227; 2,2'-[(E)-Ethene-1,2-diyl]bis(4,4-dimethyl-2-oxazoline)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717227	.	.	.	.	222.28	C12H18N2O2	43.2	343	0.8	16	0	4	2	"InChI=1S/C12H18N2O2/c1-11(2)7-15-9(13-11)5-6-10-14-12(3,4)8-16-10/h5-6H,7-8H2,1-4H3/b6-5+"	CC1(COC(=N1)/C=C/C2=NC(CO2)(C)C)C	PXWBFBGUOIFCFI-AATRIKPKSA-N
DG62955	CID 5472285	5472285	oligomycin A; 579-13-5; CHEMBL2007230; NSC717694; NSC-717694; O 5001	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717694	.	.	.	.	791.1	C45H74O11	180	1390	7.1	56	5	11	3	"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28 ,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1"	CC[C@H]\\1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@]3(O2)CC[C@H]([C@H](O3)CC(C)O)C)C)OC(=O)/C=C/[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@@]([C@@H]([C@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C	MNULEGDCPYONBU-QECWTJOCSA-N
DG62956	Oligomycin B	5472286	Oligomycin B; 11050-94-5; CHEMBL1988190; NSC717695; NSC-717695	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717695	.	.	.	.	805	C45H72O12	197	1470	6.1	57	5	12	3	"InChI=1S/C45H72O12/c1-12-33-17-15-13-14-16-25(3)42(52)44(11,54)43(53)31(9)40(51)30(8)39(50)29(7)38(49)24(2)18-21-37(48)55-41-28(6)34(20-19-33)56-45(32(41)10)36(47)22-26(4)35(57-45)23-27(5)46/h13-15,17-18,21,24-35,38,40-42,46,49,51-52,54H,12,16,19-20,22-23H2,1-11H3/b14-13+,17-15+,21-18+/t24-,25+,26-,27 ,28+,29-,30-,31-,32-,33-,34-,35-,38+,40+,41+,42-,44+,45+/m1/s1"	CC[C@H]\\1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@]3(O2)C(=O)C[C@H]([C@H](O3)CC(C)O)C)C)OC(=O)/C=C/[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@@]([C@@H]([C@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C	QPRQJOHKNJIMGN-CPQVXFHYSA-N
DG62957	NSC717696	5472287	"(1S,4E,5'R,6R,6'R,7S,8R,10S,11R,12R,14R,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,15-trihydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione; Oligomycin C; 11052-72-5; CHEMBL1975804; NSC717696; NSC-717696; J-002442"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717696	.	.	.	.	775.1	C45H74O10	160	1340	8	55	4	10	3	"InChI=1S/C45H74O10/c1-12-35-17-15-13-14-16-26(3)39(48)30(7)41(50)32(9)43(52)33(10)42(51)31(8)40(49)27(4)18-21-38(47)53-44-29(6)36(20-19-35)54-45(34(44)11)23-22-25(2)37(55-45)24-28(5)46/h13-15,17-18,21,25-37,39-40,43-44,46,48-49,52H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26+,27-,28 ,29+,30-,31-,32+,33-,34-,35-,36-,37-,39-,40+,43-,44+,45-/m1/s1"	CC[C@H]\\1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@]3(O2)CC[C@H]([C@H](O3)CC(C)O)C)C)OC(=O)/C=C/[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@@H]([C@@H]([C@H](C/C=C/C=C1)C)O)C)C)O)C)C)O)C)C	CMMLZMMKTYEOKV-HQCSJJBPSA-N
DG62958	"(3E,5E,9E)-6,10,12-trimethyltrideca-3,5,9-trien-2-one"	5472294	NSC717800; CHEMBL1993092; NSC-717800	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717800	.	.	.	.	234.38	C16H26O	17.1	316	5.1	17	0	1	7	"InChI=1S/C16H26O/c1-13(2)12-15(4)10-6-8-14(3)9-7-11-16(5)17/h7,9-11,13H,6,8,12H2,1-5H3/b11-7+,14-9+,15-10+"	CC(C)C/C(=C/CC/C(=C/C=C/C(=O)C)/C)/C	IEWGQFMOWVUPCU-WJCSPQFJSA-N
DG62959	"3-Hydroxy-4-[(E)-2-(2-furanyl)ethenyl]-3-cyclopentene-1,2-dione"	5472316	"NSC717861; CHEMBL1974496; NSC-717861; 3-Hydroxy-4-[(E)-2-(2-furanyl)ethenyl]-3-cyclopentene-1,2-dione; 3-hydroxy-4-[(e)-(2-furyl)methylidene]methyl-3-cyclopentene-1,2-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717861	.	.	.	.	204.18	C11H8O4	67.5	365	0.6	15	1	4	2	"InChI=1S/C11H8O4/c12-9-6-7(10(13)11(9)14)3-4-8-2-1-5-15-8/h1-5,13H,6H2/b4-3+"	C1C(=C(C(=O)C1=O)O)/C=C/C2=CC=CO2	SIEFXHGBBOANTM-ONEGZZNKSA-N
DG62960	NSC717879	5472323	"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol; NSC717879; CHEMBL2006525; NSC-717879"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717879	.	.	.	.	379.5	C25H33NO2	53.4	678	3.6	28	2	3	1	"InChI=1S/C25H33NO2/c1-24-9-5-19(27)15-18(24)3-4-20-21(24)6-10-25(2)22(20)14-17(23(25)28)13-16-7-11-26-12-8-16/h3,7-8,11-13,19-23,27-28H,4-6,9-10,14-15H2,1-2H3/b17-13+/t19-,20+,21-,22-,23-,24-,25-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\\C5=CC=NC=C5)/[C@@H]4O)C)O	IEAWNVNMMQIOKH-LTVDPJLQSA-N
DG62961	"ethyl 2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate"	5472328	NSC717887; CHEMBL1998885; NSC-717887; NCI60_040675	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717887	.	.	.	.	362.5	C17H18N2O3S2	120	457	3.6	24	2	5	5	"InChI=1S/C17H18N2O3S2/c1-2-22-16(20)14-12-8-9-21-10-13(12)24-15(14)19-17(23)18-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,18,19,23)"	CCOC(=O)C1=C(SC2=C1CCOC2)NC(=S)NC3=CC=CC=C3	OFCZCHWTORJLNM-UHFFFAOYSA-N
DG62962	"4-Methyl-5-sulfanylidene-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one"	5472329	NSC717889; CHEMBL1983212; NSC-717889; NCI60_040676	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717889	.	.	.	.	270.4	C10H10N2OS3	118	349	1.8	16	1	4	0	"InChI=1S/C10H10N2OS3/c1-12-9(13)7-5-2-3-15-4-6(5)16-8(7)11-10(12)14/h2-4H2,1H3,(H,11,14)"	CN1C(=O)C2=C(NC1=S)SC3=C2CCSC3	GCDSNZBTLPASDA-UHFFFAOYSA-N
DG62963	N-(phenoxathiin-2-ylcarbamothioyl)benzamide	5472352	NSC718028; CHEMBL1992067; NSC-718028; NCI60_040708	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718028	.	.	.	.	378.5	C20H14N2O2S2	108	524	5.2	26	2	4	2	"InChI=1S/C20H14N2O2S2/c23-19(13-6-2-1-3-7-13)22-20(25)21-14-10-11-16-18(12-14)26-17-9-5-4-8-15(17)24-16/h1-12H,(H2,21,22,23,25)"	C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC4=CC=CC=C4S3	BCLZHHYOUKFIMG-UHFFFAOYSA-N
DG62964	NSC718133	5472356	methyl (2R)-3-[[3-methoxy-3-oxo-2-[[(E)-4-oxopent-2-en-2-yl]amino]propyl]disulfanyl]-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanoate; NSC718133; NSC-718133	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718133	.	.	.	.	432.6	C18H28N2O6S2	161	580	2.6	28	2	10	15	"InChI=1S/C18H28N2O6S2/c1-11(7-13(3)21)19-15(17(23)25-5)9-27-28-10-16(18(24)26-6)20-12(2)8-14(4)22/h7-8,15-16,19-20H,9-10H2,1-6H3/b11-7+,12-8+/t15-,16 /m0/s1"	C/C(=C\\C(=O)C)/N[C@@H](CSSCC(C(=O)OC)N/C(=C/C(=O)C)/C)C(=O)OC	AWBFVTNSJKHMQF-HVAOIQQZSA-N
DG62965	NSC718179	5472376	"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol; NSC718179; CHEMBL2002317; NSC-718179"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718179	.	.	.	.	476.6	C30H40N2O3	69.3	894	5.7	35	1	4	2	"InChI=1S/C30H40N2O3/c1-29-13-11-24(31-15-3-4-16-31)19-22(29)7-10-25-26(29)12-14-30(2)27(25)18-21(28(30)33)17-20-5-8-23(9-6-20)32(34)35/h5-9,17,24-28,33H,3-4,10-16,18-19H2,1-2H3/b21-17+/t24-,25+,26-,27-,28-,29-,30-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\\C5=CC=C(C=C5)[N+](=O)[O-])/[C@@H]4O)C)N6CCCC6	FLZAEJAYKQOFFH-OMKFAQTESA-N
DG62966	"(3Z)-3-[[4-(4-chlorophenyl)-1H-pyrazol-5-yl]methylidene]-1,5-diphenylpyrrolidine-2,4-dione"	5472384	NSC718192; CHEMBL1980468; NSC-718192	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718192	.	.	.	.	439.9	C26H18ClN3O2	66.1	721	5.4	32	1	3	4	"InChI=1S/C26H18ClN3O2/c27-19-13-11-17(12-14-19)22-16-28-29-23(22)15-21-25(31)24(18-7-3-1-4-8-18)30(26(21)32)20-9-5-2-6-10-20/h1-16,24H,(H,28,29)/b21-15-"	C1=CC=C(C=C1)C2C(=O)/C(=C/C3=C(C=NN3)C4=CC=C(C=C4)Cl)/C(=O)N2C5=CC=CC=C5	SQTAUNOVHULWLQ-QNGOZBTKSA-N
DG62967	"3,4-dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide"	5472388	NSC718303; CHEMBL2000109; NSC-718303	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718303	.	.	.	.	432.5	C25H24N2O5	85.9	626	3.9	32	2	5	8	"InChI=1S/C25H24N2O5/c1-30-20-12-10-19(11-13-20)26-25(29)18-15-21(24(32-3)22(16-18)31-2)27-23(28)14-9-17-7-5-4-6-8-17/h4-16H,1-3H3,(H,26,29)(H,27,28)/b14-9+"	COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)NC(=O)/C=C/C3=CC=CC=C3	CMPPFKJTLMRARR-NTEUORMPSA-N
DG62968	"3-[[3,4-dimethoxy-5-[[(E)-3-phenylprop-2-enoyl]amino]benzoyl]amino]-4,5-dimethoxybenzamide"	5472390	NSC718305; CHEMBL2005890; NSC-718305	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718305	.	.	.	.	505.5	C27H27N3O7	138	801	2.8	37	3	7	10	"InChI=1S/C27H27N3O7/c1-34-21-14-17(26(28)32)12-20(25(21)37-4)30-27(33)18-13-19(24(36-3)22(15-18)35-2)29-23(31)11-10-16-8-6-5-7-9-16/h5-15H,1-4H3,(H2,28,32)(H,29,31)(H,30,33)/b11-10+"	COC1=CC(=CC(=C1OC)NC(=O)C2=CC(=C(C(=C2)OC)OC)NC(=O)/C=C/C3=CC=CC=C3)C(=O)N	BEZPODAEPWMKDG-ZHACJKMWSA-N
DG62969	"N-[2,3-dimethoxy-5-(propylcarbamoyl)phenyl]-3,4-dimethoxy-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide"	5472391	NSC718306; CHEMBL1982791; NSC-718306	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718306	.	.	.	.	547.6	C30H33N3O7	124	847	4.1	40	3	7	12	"InChI=1S/C30H33N3O7/c1-6-14-31-29(35)20-15-23(28(40-5)24(17-20)37-2)33-30(36)21-16-22(27(39-4)25(18-21)38-3)32-26(34)13-12-19-10-8-7-9-11-19/h7-13,15-18H,6,14H2,1-5H3,(H,31,35)(H,32,34)(H,33,36)/b13-12+"	CCCNC(=O)C1=CC(=C(C(=C1)OC)OC)NC(=O)C2=CC(=C(C(=C2)OC)OC)NC(=O)/C=C/C3=CC=CC=C3	KCCMSQCLVJCVDU-OUKQBFOZSA-N
DG62970	N-[2-(hydrazinecarbonyl)-4-nitrophenyl]adamantane-1-carboxamide	5472393	NSC718359; CHEMBL1984478; NSC-718359; NCI60_040778	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718359	.	.	.	.	358.4	C18H22N4O4	130	576	2.6	26	3	5	3	"InChI=1S/C18H22N4O4/c19-21-16(23)14-6-13(22(25)26)1-2-15(14)20-17(24)18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9,19H2,(H,20,24)(H,21,23)"	C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)NN	ONIYDIDSWVECCT-UHFFFAOYSA-N
DG62971	3-[4-[3-chloro-2-(3-chlorophenyl)-4-oxoazetidin-1-yl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one	5472397	NSC718381; CHEMBL1984774; NSC-718381; NCI60_040789	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718381	.	.	.	.	468.4	C23H15Cl2N3O2S	84.7	744	4.7	31	1	3	3	"InChI=1S/C23H15Cl2N3O2S/c24-14-5-3-4-13(12-14)20-19(25)22(30)27(20)15-8-10-16(11-9-15)28-21(29)17-6-1-2-7-18(17)26-23(28)31/h1-12,19-20H,(H,26,31)"	C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)N4C(C(C4=O)Cl)C5=CC(=CC=C5)Cl	JLSMKKTURMJQEA-UHFFFAOYSA-N
DG62972	"3-[(4-Chlorophenyl)carbamothioyl]-2-[[4-(2,4-dichlorophenoxy)phenoxy]methyl]-4-oxoquinazoline-6-sulfonic acid"	5472400	NSC718388; CHEMBL1985848; NSC-718388; NCI60_040795	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718388	.	.	.	.	662.9	C28H18Cl3N3O6S2	158	1110	6.5	42	2	8	7	"InChI=1S/C28H18Cl3N3O6S2/c29-16-1-4-18(5-2-16)32-28(41)34-26(33-24-11-10-21(42(36,37)38)14-22(24)27(34)35)15-39-19-6-8-20(9-7-19)40-25-12-3-17(30)13-23(25)31/h1-14H,15H2,(H,32,41)(H,36,37,38)"	C1=CC(=CC=C1NC(=S)N2C(=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)O)COC4=CC=C(C=C4)OC5=C(C=C(C=C5)Cl)Cl)Cl	YWKFPKLIYXDYAP-UHFFFAOYSA-N
DG62973	"4-[(4Z)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide"	5472414	NSC718649; CHEMBL1976001; NSC-718649	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718649	.	.	.	.	578.7	C31H22N4O4S2	138	1060	6.1	41	1	8	8	"InChI=1S/C31H22N4O4S2/c36-30-28(21-22-11-15-26(16-12-22)39-25-9-5-2-6-10-25)33-29(23-7-3-1-4-8-23)35(30)24-13-17-27(18-14-24)41(37,38)34-31-32-19-20-40-31/h1-21H,(H,32,34)/b28-21-"	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=C(C=C3)OC4=CC=CC=C4)/C(=O)N2C5=CC=C(C=C5)S(=O)(=O)NC6=NC=CS6	HFIQRJWLGOLTAU-HFTWOUSFSA-N
DG62974	"4-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one"	5472419	NSC718654; CHEMBL2004992; NSC-718654	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718654	.	.	.	.	468.9	C27H21ClN4O2	56.2	906	5.6	34	0	4	4	"InChI=1S/C27H21ClN4O2/c1-18-24(27(34)32(30(18)2)22-11-7-4-8-12-22)31-25(20-9-5-3-6-10-20)29-23(26(31)33)17-19-13-15-21(28)16-14-19/h3-17H,1-2H3/b23-17-"	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=N/C(=C\\C4=CC=C(C=C4)Cl)/C3=O)C5=CC=CC=C5	YLMIJMQLANERLO-QJOMJCCJSA-N
DG62975	"4-[3-chloro-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one"	5472423	NSC718660; CHEMBL2002791; NSC-718660	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718660	.	.	.	.	393.9	C22H20ClN3O2	43.9	692	4.2	28	0	3	4	"InChI=1S/C22H20ClN3O2/c1-15-20(22(28)26(24(15)2)17-11-7-4-8-12-17)25-18(19(23)21(25)27)14-13-16-9-5-3-6-10-16/h3-14,18-19H,1-2H3/b14-13+"	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(C(C3=O)Cl)/C=C/C4=CC=CC=C4	SBQGZHQEWIAIDO-BUHFOSPRSA-N
DG62976	"(E)-3-[4-[[3-(4-methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]sulfonyl]phenyl]prop-2-enoic acid"	5472424	NSC718689; CHEMBL1995794; NSC-718689	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718689	.	.	.	.	488.6	C27H24N2O5S	105	926	4.4	35	1	7	6	"InChI=1S/C27H24N2O5S/c1-34-21-12-9-20(10-13-21)27-24-16-11-19-4-2-3-5-23(19)26(24)28-29(27)35(32,33)22-14-6-18(7-15-22)8-17-25(30)31/h2-10,12-15,17,24,27H,11,16H2,1H3,(H,30,31)/b17-8+"	COC1=CC=C(C=C1)C2C3CCC4=CC=CC=C4C3=NN2S(=O)(=O)C5=CC=C(C=C5)/C=C/C(=O)O	PRPUBBKCAZURSJ-CAOOACKPSA-N
DG62977	"2,7-bis(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)-1H-1,8-naphthyridin-4-one"	5472425	NSC718695; CHEMBL1993633; NSC-718695; NCI60_040881	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718695	.	.	.	.	488.9	C28H17ClN6O	99.4	861	5.6	36	3	5	3	"InChI=1S/C28H17ClN6O/c29-16-11-9-15(10-12-16)17-13-22(26-30-18-5-1-2-6-19(18)31-26)34-28-25(17)24(36)14-23(35-28)27-32-20-7-3-4-8-21(20)33-27/h1-14H,(H,30,31)(H,32,33)(H,34,35,36)"	C1=CC=C2C(=C1)NC(=N2)C3=CC(=O)C4=C(N3)N=C(C=C4C5=CC=C(C=C5)Cl)C6=NC7=CC=CC=C7N6	PZQKLTKFYQAKAW-UHFFFAOYSA-N
DG62978	"2,7-bis(1H-benzimidazol-2-yl)-5-(4-methylsulfanylphenyl)-1H-1,8-naphthyridin-4-one"	5472426	NSC718696; CHEMBL2001343; NSC-718696; NCI60_040882	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718696	.	.	.	.	500.6	C29H20N6OS	125	877	5.5	37	3	6	4	"InChI=1S/C29H20N6OS/c1-37-17-12-10-16(11-13-17)18-14-23(27-30-19-6-2-3-7-20(19)31-27)34-29-26(18)25(36)15-24(35-29)28-32-21-8-4-5-9-22(21)33-28/h2-15H,1H3,(H,30,31)(H,32,33)(H,34,35,36)"	CSC1=CC=C(C=C1)C2=CC(=NC3=C2C(=O)C=C(N3)C4=NC5=CC=CC=C5N4)C6=NC7=CC=CC=C7N6	MDIXNOMRVRRILV-UHFFFAOYSA-N
DG62979	NSC718738	5472441	"(11E)-11-(6-bromohexylidene)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one; NSC718738; CHEMBL1974972; NSC-718738; 11-(6'-Bromohexylidene)-5,3-dimethoxy-6-methyl-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718738	.	.	.	.	512.4	C26H26BrNO5	57.2	813	4.7	33	0	5	7	"InChI=1S/C26H26BrNO5/c1-28-25-18-12-23-22(32-14-33-23)10-16(18)15(8-6-4-5-7-9-27)24(25)17-11-20(30-2)21(31-3)13-19(17)26(28)29/h8,10-13H,4-7,9,14H2,1-3H3/b15-8+"	CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)/C(=C/CCCCCBr)/C4=CC5=C(C=C42)OCO5	AGMYPZSHWNZLEM-OVCLIPMQSA-N
DG62980	NSC718809	5472448	"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-dimethyl-16-(pyridin-3-ylmethylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol; NSC718809; CHEMBL1968026; NSC-718809"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718809	.	.	.	.	379.5	C25H33NO2	53.4	684	3.6	28	2	3	1	"InChI=1S/C25H33NO2/c1-24-9-7-19(27)14-18(24)5-6-20-21(24)8-10-25(2)22(20)13-17(23(25)28)12-16-4-3-11-26-15-16/h3-5,11-12,15,19-23,27-28H,6-10,13-14H2,1-2H3/b17-12+/t19-,20+,21-,22-,23-,24-,25-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\\C5=CN=CC=C5)/[C@@H]4O)C)O	GZFIAGMCKJOTMU-NVVIKRRJSA-N
DG62981	NSC719148	5472467	"4-chloro-N-[[(7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-6-(2,4-dichloro-5-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl]aniline; NSC719148; CHEMBL1983576; NSC-719148"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719148	.	.	.	.	631.3	C28H16Cl4FN5OS	93.5	934	8.9	40	1	7	6	"InChI=1S/C28H16Cl4FN5OS/c29-16-3-1-15(2-4-16)24-10-9-19(39-24)11-25-27(20-12-23(33)22(32)13-21(20)31)37-38-26(35-36-28(38)40-25)14-34-18-7-5-17(30)6-8-18/h1-13,34H,14H2/b25-11-"	C1=CC(=CC=C1C2=CC=C(O2)/C=C\\3/C(=NN4C(=NN=C4S3)CNC5=CC=C(C=C5)Cl)C6=CC(=C(C=C6Cl)Cl)F)Cl	XGEGKMJJKHCDPJ-GATIEOLUSA-N
DG62982	3-Genistein-8-C-glucoside	5472471	"3-Genistein-8-C-glucoside; CHEMBL1975213; NSC719159; MCULE-1627289894; NSC-719159; NCI60_040954; 5,4'-trihydroxy-isoflavone-8-c-glucoside; FT-0778277"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719159	.	.	.	.	432.4	C21H20O10	177	690	0.2	31	7	10	3	"InChI=1S/C21H20O10/c22-6-13-17(27)18(28)19(29)21(31-13)15-12(25)5-11(24)14-16(26)10(7-30-20(14)15)8-1-3-9(23)4-2-8/h1-5,7,13,17-19,21-25,27-29H,6H2"	C1=CC(=CC=C1C2=COC3=C(C2=O)C(=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O)O	HIWJJOYYZFELEZ-UHFFFAOYSA-N
DG62983	NSC719162	5472472	"(11Z)-11-(5-bromopentylidene)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one; NSC719162; CHEMBL1981665; NSC-719162; 11-(5'-Bromopentylidine)-5,3-dimethoxy-6-methyl-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719162	.	.	.	.	498.4	C25H24BrNO5	57.2	797	4.2	32	0	5	6	"InChI=1S/C25H24BrNO5/c1-27-24-17-11-22-21(31-13-32-22)9-15(17)14(7-5-4-6-8-26)23(24)16-10-19(29-2)20(30-3)12-18(16)25(27)28/h7,9-12H,4-6,8,13H2,1-3H3/b14-7-"	CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)/C(=C\\CCCCBr)/C4=CC5=C(C=C42)OCO5	SQENEFJLFQRMKV-AUWJEWJLSA-N
DG62984	"4-[(Z)-indolo[1,2-b]indazol-11-ylidenemethyl]-N,N-dimethylaniline"	5472473	NSC719163; CHEMBL2000144; NSC-719163	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719163	.	.	.	.	337.4	C23H19N3	21.1	534	5	26	0	2	2	"InChI=1S/C23H19N3/c1-25(2)17-13-11-16(12-14-17)15-20-18-7-4-6-10-22(18)26-23(20)19-8-3-5-9-21(19)24-26/h3-15H,1-2H3/b20-15-"	CN(C)C1=CC=C(C=C1)/C=C\\2/C3=CC=CC=C3N4C2=C5C=CC=CC5=N4	UHNGVDFOYYUXBZ-HKWRFOASSA-N
DG62985	"11-(4'-Iodobutylidene)-5,3-dimethoxy-6-methyl-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinoline"	5472476	"NSC719211; CHEMBL1966353; SCHEMBL14349343; NSC-719211; 11-(4'-Iodobutylidene)-5,3-dimethoxy-6-methyl-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719211	.	.	.	.	531.3	C24H22INO5	57.2	782	4.5	31	0	5	5	"InChI=1S/C24H22INO5/c1-26-23-16-10-21-20(30-12-31-21)8-14(16)13(6-4-5-7-25)22(23)15-9-18(28-2)19(29-3)11-17(15)24(26)27/h6,8-11H,4-5,7,12H2,1-3H3/b13-6+"	CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)/C(=C/CCCI)/C4=CC5=C(C=C42)OCO5	IOHJNQPDGUGBMV-AWNIVKPZSA-N
DG62986	Macrocarpamine	5472477	Macrocarpamine; NSC719264; CHEMBL1979029; NSC-719264; Q15426213	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719264	.	.	.	.	642.8	C41H46N4O3	50.2	1410	4.9	48	0	6	4	"InChI=1S/C41H46N4O3/c1-5-24-21-44-17-15-32-27-11-7-9-13-34(27)45-39(40(46)47-4)29(24)20-37(44)41(32,45)16-14-25-22-48-23-31-28(25)18-36-38-30(19-35(31)42(36)2)26-10-6-8-12-33(26)43(38)3/h5-14,16,22,28-29,31-32,35-37,39H,15,17-21,23H2,1-4H3/b16-14+,24-5-/t28-,29-,31+,32+,35-,36-,37-,39-,41-/m0/s1"	C/C=C\\1/CN2CC[C@@H]3C4=CC=CC=C4N5[C@@]3([C@@H]2C[C@@H]1[C@H]5C(=O)OC)/C=C/C6=COC[C@@H]7[C@H]6C[C@H]8C9=C(C[C@@H]7N8C)C1=CC=CC=C1N9C	NOKYQXVIWFQLED-HXCLOJFDSA-N
DG62987	dorsmanin A	5472480	"dorsmanin A; 162229-27-8; (E)-1-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one; 5-Prenyl-6'',6''-Dimethyl-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxychalcone; dorsmannin A; NSC719328; CHEMBL492189; ZINC5963645; 9382AF; LMPK12120089; AKOS032949009; NSC-719328; (E)-1-(5-hydroxy-2,2-dimethyl-chroman-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one; 2-Propen-1-one, 1-(3,4-dihydro-5-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-(4-hydroxyphenyl)-, (E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719328	.	.	.	.	324.4	C20H20O4	66.8	476	4.5	24	2	4	3	"InChI=1S/C20H20O4/c1-20(2)12-11-16-18(24-20)10-8-15(19(16)23)17(22)9-5-13-3-6-14(21)7-4-13/h3-10,21,23H,11-12H2,1-2H3/b9-5+"	CC1(CCC2=C(O1)C=CC(=C2O)C(=O)/C=C/C3=CC=C(C=C3)O)C	UDSAJERKQRQHJR-WEVVVXLNSA-N
DG62988	"(Z)-2,3-Dihydro-3-((4-chlorophenyl)methylene)-4H-1-benzothiopyran-4-one"	5472487	"NSC719468; (Z)-2,3-Dihydro-3-((4-chlorophenyl)methylene)-4H-1-benzothiopyran-4-one; 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((4-chlorophenyl)methylene)-, (Z)-; CHEMBL1979239; NSC-719468; 101001-09-6; (z)-3-(4'-chlorobenzylidene)-thiochroman-4-one; (3Z)-3-[(4-chlorophenyl)methylene]thiochroman-4-one; 3-(4-Chlorobenzylidene)-2H-1-benzothiopyran-4(3H)-one; (3Z)-2,3-Dihydro-3-(4-chlorobenzylidene)-4H-1-benzothiopyran-4-one; 4H-1-benzothiopyran-4-one, 3-[(4-chlorophenyl)methylene]-2,3-dihydro-, (3Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719468	.	.	.	.	286.8	C16H11ClOS	42.4	371	4.5	19	0	2	1	"InChI=1S/C16H11ClOS/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-9H,10H2/b12-9+"	C1/C(=C\\C2=CC=C(C=C2)Cl)/C(=O)C3=CC=CC=C3S1	YSJUUWPEUQHPJQ-FMIVXFBMSA-N
DG62989	"(3Z)-3-[(3-chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole"	5472489	NSC719477; CHEMBL1968608; NSC-719477	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719477	.	.	.	.	355.8	C22H14ClN3	30.2	580	5.4	26	0	2	2	InChI=1S/C22H14ClN3/c23-17-10-6-7-15(13-17)14-19-22-24-18-11-4-5-12-20(18)26(22)21(25-19)16-8-2-1-3-9-16/h1-14H/b19-14-	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC(=CC=C3)Cl)/C4=NC5=CC=CC=C5N24	WULBRFKCIUKLCF-RGEXLXHISA-N
DG62990	"(3Z)-3-(furan-2-ylmethylidene)-1-phenylimidazo[1,5-a]benzimidazole"	5472490	NSC719478; CHEMBL1993321; NSC-719478	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719478	.	.	.	.	311.3	C20H13N3O	43.3	537	3.9	24	0	3	2	InChI=1S/C20H13N3O/c1-2-7-14(8-3-1)19-22-17(13-15-9-6-12-24-15)20-21-16-10-4-5-11-18(16)23(19)20/h1-13H/b17-13-	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=CO3)/C4=NC5=CC=CC=C5N24	MORKEWDFMLYVIQ-LGMDPLHJSA-N
DG62991	"(3Z)-3-[(4-chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole"	5472491	NSC719479; CHEMBL1965244; NSC-719479	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719479	.	.	.	.	355.8	C22H14ClN3	30.2	572	5.4	26	0	2	2	InChI=1S/C22H14ClN3/c23-17-12-10-15(11-13-17)14-19-22-24-18-8-4-5-9-20(18)26(22)21(25-19)16-6-2-1-3-7-16/h1-14H/b19-14-	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=C(C=C3)Cl)/C4=NC5=CC=CC=C5N24	GMVJFLXAPDWVMF-RGEXLXHISA-N
DG62992	"(3Z)-3-[(2-chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole"	5472492	NSC719480; CHEMBL1980090; NSC-719480	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719480	.	.	.	.	355.8	C22H14ClN3	30.2	580	5.4	26	0	2	2	InChI=1S/C22H14ClN3/c23-17-11-5-4-10-16(17)14-19-22-24-18-12-6-7-13-20(18)26(22)21(25-19)15-8-2-1-3-9-15/h1-14H/b19-14-	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=CC=C3Cl)/C4=NC5=CC=CC=C5N24	XTWIHKHAKBGJQC-RGEXLXHISA-N
DG62993	"N,N-diethyl-4-[(Z)-(1-phenylimidazo[1,5-a]benzimidazol-3-ylidene)methyl]aniline"	5472493	NSC719481; CHEMBL1999280; NSC-719481	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719481	.	.	.	.	392.5	C26H24N4	33.4	637	5.6	30	0	3	5	"InChI=1S/C26H24N4/c1-3-29(4-2)21-16-14-19(15-17-21)18-23-26-27-22-12-8-9-13-24(22)30(26)25(28-23)20-10-6-5-7-11-20/h5-18H,3-4H2,1-2H3/b23-18-"	CCN(CC)C1=CC=C(C=C1)/C=C\\2/C3=NC4=CC=CC=C4N3C(=N2)C5=CC=CC=C5	GWFBLCIAKFHXBS-NKFKGCMQSA-N
DG62994	(5Z)-1-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-phenyl-4-sulfanylideneimidazolidin-2-one	5472496	NSC719623; CHEMBL1966610; NSC-719623	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719623	.	.	.	.	425.3	C22H14Cl2N2OS	55.6	618	6.4	28	0	2	3	InChI=1S/C22H14Cl2N2OS/c23-16-8-6-15(7-9-16)14-20-21(28)26(18-4-2-1-3-5-18)22(27)25(20)19-12-10-17(24)11-13-19/h1-14H/b20-14-	C1=CC=C(C=C1)N2C(=S)/C(=C/C3=CC=C(C=C3)Cl)/N(C2=O)C4=CC=C(C=C4)Cl	VDSGTKSJGWQODS-ZHZULCJRSA-N
DG62995	"2-[(3S,4S,6R)-4,6-diethyl-6-[(2E,5E)-4-ethylocta-2,5-dienyl]dioxan-3-yl]acetic acid"	5472497	NSC719626; PHH6f; CHEMBL1990386; NSC-719626	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719626	.	.	.	.	338.5	C20H34O4	55.8	429	5.3	24	1	4	10	"InChI=1S/C20H34O4/c1-5-9-11-16(6-2)12-10-13-20(8-4)15-17(7-3)18(23-24-20)14-19(21)22/h9-12,16-18H,5-8,13-15H2,1-4H3,(H,21,22)/b11-9+,12-10+/t16 ,17-,18-,20+/m0/s1"	CC/C=C/C(CC)/C=C/C[C@@]1(C[C@@H]([C@@H](OO1)CC(=O)O)CC)CC	FMIORBKSNMSXGM-WRNZUPGYSA-N
DG62996	"11-Methoxycarbonylmethylen-11H-indolo[1,2-a]indazole"	5472499	"NSC719688; CHEMBL2007546; NSC-719688; 11-Methoxycarbonylmethylen-11H-indolo[1,2-a]indazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719688	.	.	.	.	276.29	C17H12N2O2	44.1	462	2.9	21	0	3	2	"InChI=1S/C17H12N2O2/c1-21-16(20)10-13-11-6-3-5-9-15(11)19-17(13)12-7-2-4-8-14(12)18-19/h2-10H,1H3/b13-10-"	COC(=O)/C=C\\1/C2=CC=CC=C2N3C1=C4C=CC=CC4=N3	INQZKASVWJPXML-RAXLEYEMSA-N
DG62997	"11-Cyanomethylen-11H-indolo[1,2-a]indazole"	5472501	"NSC719690; CHEMBL1980241; NSC-719690; 11-Cyanomethylen-11H-indolo[1,2-a]indazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719690	.	.	.	.	243.26	C16H9N3	41.6	446	2.7	19	0	2	0	InChI=1S/C16H9N3/c17-10-9-12-11-5-2-4-8-15(11)19-16(12)13-6-1-3-7-14(13)18-19/h1-9H/b12-9-	C1=CC=C2C(=C1)/C(=C/C#N)/C3=C4C=CC=CC4=NN23	YHSSELMFFNKMFD-XFXZXTDPSA-N
DG62998	"ethyl (2'Z)-2'-(2-ethoxy-2-oxoethylidene)spiro[1,3,4,9-tetrahydrocarbazole-2,3'-1H-indole]-1-carboxylate"	5472503	"NSC719705; CHEMBL1973063; NSC-719705; 2'-[(Z)-2-Oxo-2-ethoxyethylidene]-1,3,4,9-tetrahydrospiro[2H-carbazole-2,3'-indoline]-1-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719705	.	.	.	.	430.5	C26H26N2O4	80.4	767	4.5	32	2	5	6	"InChI=1S/C26H26N2O4/c1-3-31-22(29)15-21-26(18-10-6-8-12-20(18)27-21)14-13-17-16-9-5-7-11-19(16)28-24(17)23(26)25(30)32-4-2/h5-12,15,23,27-28H,3-4,13-14H2,1-2H3/b21-15-"	CCOC(=O)/C=C\\1/C2(CCC3=C(C2C(=O)OCC)NC4=CC=CC=C34)C5=CC=CC=C5N1	YOSABUILDZLTOV-QNGOZBTKSA-N
DG62999	"2-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione"	5472504	NSC719726; CHEMBL1971813; NSC-719726	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719726	.	.	.	.	378.8	C17H15ClN2O4S	98.1	688	4.3	25	0	6	5	"InChI=1S/C17H15ClN2O4S/c1-9-10(13(22)15(24-3)14(23-2)12(9)21)5-4-6-11-16(18)19-17-20(11)7-8-25-17/h4,6-8H,5H2,1-3H3/b6-4+"	CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C/C2=C(N=C3N2C=CS3)Cl	LURPELKBTNREGD-GQCTYLIASA-N
DG63000	5-(3-Phenyl-4-oxothiazolidin-2-ylidenyl)-3-phenyl-4-oxothiazolidin-2-thione	5472509	"NSC719994; CHEMBL2005939; NSC-719994; 5-(3-phenyl-4-oxothiazolidin-2-ylidenyl)-3-phenyl-4- oxothiazolidin-2-thione; (e,z)-5-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719994	.	.	.	.	384.5	C18H12N2O2S3	123	622	4.1	25	0	5	2	"InChI=1S/C18H12N2O2S3/c21-14-11-24-17(19(14)12-7-3-1-4-8-12)15-16(22)20(18(23)25-15)13-9-5-2-6-10-13/h1-10H,11H2/b17-15+"	C1C(=O)N(/C(=C\\2/C(=O)N(C(=S)S2)C3=CC=CC=C3)/S1)C4=CC=CC=C4	YCDVRAJZFHLNFN-BMRADRMJSA-N
DG63001	5-(5-Benzylidene-3-phenyl-4-oxothiazolidin-2-ylidenyl)-3-phenyl-4-oxothiazolidin-2-thione	5472512	NSC719997; CHEMBL1980985; NSC-719997; 5-(5-benzylidene-3-phenyl-4-oxothiazolidin-2-ylidenyl)-3- phenyl-4-oxothiazolidin-2-thione	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719997	.	.	.	.	472.6	C25H16N2O2S3	123	834	6.3	32	0	5	3	"InChI=1S/C25H16N2O2S3/c28-22-20(16-17-10-4-1-5-11-17)31-24(26(22)18-12-6-2-7-13-18)21-23(29)27(25(30)32-21)19-14-8-3-9-15-19/h1-16H/b20-16-,24-21+"	C1=CC=C(C=C1)/C=C\\2/C(=O)N(/C(=C\\3/C(=O)N(C(=S)S3)C4=CC=CC=C4)/S2)C5=CC=CC=C5	KCDZYHUYIJJEHO-SFDFKWKJSA-N
DG63002	5-(p-Anisylidene-3-phenyl-4-oxothiazolidenyl-3-phenyl-4-oxothiazolidin-2-thione	5472514	"NSC719999; CHEMBL1970766; NSC-719999; 5-(p-anisylidene-3-phenyl-4-oxothiazolidenyl-3-phenyl-4-oxothiazolidin-2-thione; (2e,2z,5e,5z)-5-(4-methoxybenzylidene)-2-(4-oxo-3-phenyl-2-thioxo-1,3-thiazolidin-5-ylidene)-3-phenyl-1,3-thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719999	.	.	.	.	502.6	C26H18N2O3S3	133	882	6.2	34	0	6	4	"InChI=1S/C26H18N2O3S3/c1-31-20-14-12-17(13-15-20)16-21-23(29)27(18-8-4-2-5-9-18)25(33-21)22-24(30)28(26(32)34-22)19-10-6-3-7-11-19/h2-16H,1H3/b21-16-,25-22+"	COC1=CC=C(C=C1)/C=C\\2/C(=O)N(/C(=C\\3/C(=O)N(C(=S)S3)C4=CC=CC=C4)/S2)C5=CC=CC=C5	PTQKVEMIKFHZHU-ZQFJFUDDSA-N
DG63003	"11-Methoxycarbonylmethylene-6-methyl-11H-indolo[1,2-b]indazo lium trifluoromethanesulfonate"	5472517	"NSC720052; CHEMBL1990439; NSC-720052; 11-Methoxycarbonylmethylene-6-methyl-11H-indolo[1,2-b]indazo lium trifluoromethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720052	.	.	.	.	440.4	C19H15F3N2O5S	101	634	.	30	0	8	2	"InChI=1S/C18H15N2O2.CHF3O3S/c1-19-15-9-5-4-8-13(15)18-14(11-17(21)22-2)12-7-3-6-10-16(12)20(18)19;2-1(3,4)8(5,6)7/h3-11H,1-2H3;(H,5,6,7)/q+1;/p-1/b14-11-;"	C[N+]1=C2C=CC=CC2=C\\3N1C4=CC=CC=C4/C3=C/C(=O)OC.C(F)(F)(F)S(=O)(=O)[O-]	IRSGEWKLQWKZMJ-IRIIKGHASA-M
DG63004	"11-Cyanomethylen-6-methyl-11H-indolo[1,2-b]indazolium trifluoromethanesulfonate"	5472519	"NSC720053; CHEMBL1969375; NSC-720053; 11-Cyanomethylen-6-methyl-11H-indolo[1,2-b]indazolium trifluoromethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720053	.	.	.	.	407.4	C18H12F3N3O3S	98.2	619	.	28	0	7	0	"InChI=1S/C17H12N3.CHF3O3S/c1-19-15-8-4-3-7-14(15)17-13(10-11-18)12-6-2-5-9-16(12)20(17)19;2-1(3,4)8(5,6)7/h2-10H,1H3;(H,5,6,7)/q+1;/p-1/b13-10-;"	C[N+]1=C2C=CC=CC2=C\\3N1C4=CC=CC=C4/C3=C/C#N.C(F)(F)(F)S(=O)(=O)[O-]	NAJPKONPVHLSQW-ALUHPYBCSA-M
DG63005	Cdk1 inhibitor	5472558	"cdk1 inhibitor; 3-(2-Chloro-3-indolylmethylene)-1,3-dihydroindol-2-one; CHEMBL261425; K00028; GTPL5944; SCHEMBL1394886; CHEBI:113538; HMS3229C12; BDBM50375670; HSCI1_000249; NSC720148; CCG-206822; NSC-720148; J-014469; BRD-K81836716-001-01-7; Q27075819; 3-[(2-Chloro-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one; (3E)-3-[(2-chloro-1H-indol-3-yl)methylidene]-2,3-dihydro-1H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720148	.	.	.	.	294.7	C17H11ClN2O	44.9	464	4	21	2	1	1	"InChI=1S/C17H11ClN2O/c18-16-12(10-5-1-3-7-14(10)19-16)9-13-11-6-2-4-8-15(11)20-17(13)21/h1-9,19H,(H,20,21)/b13-9+"	C1=CC=C2C(=C1)/C(=C\\C3=C(NC4=CC=CC=C43)Cl)/C(=O)N2	QJKBRWSJWQVKLY-UKTHLTGXSA-N
DG63006	(3E)-3-[(2-chloro-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one	5472559	NSC720149; CHEMBL2002379; NSC-720149	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720149	.	.	.	.	324.8	C18H13ClN2O2	54.1	509	4	23	2	2	2	"InChI=1S/C18H13ClN2O2/c1-23-10-6-7-16-12(8-10)14(18(22)21-16)9-13-11-4-2-3-5-15(11)20-17(13)19/h2-9,20H,1H3,(H,21,22)/b14-9+"	COC1=CC\\2=C(C=C1)NC(=O)/C2=C/C3=C(NC4=CC=CC=C43)Cl	JKEOUWKPNVUSGY-NTEUORMPSA-N
DG63007	N-[3-[[3-benzoyl-4-(4-tolylacetylamino)phenyl]amino]-3-oxopr opyl]-4-phenylcinnamic acid amide	5472582	NSC720288; CHEMBL1989055; NSC-720288; N-[3-[[3-benzoyl-4-(4-tolylacetylamino)phenyl]amino]-3-oxopr opyl]-4-phenylcinnamic acid amide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720288	.	.	.	.	619.7	C40H33N3O4	104	1090	7.8	47	3	4	11	"InChI=1S/C40H33N3O4/c1-28-12-14-30(15-13-28)26-39(46)43-36-22-21-34(27-35(36)40(47)33-10-6-3-7-11-33)42-38(45)24-25-41-37(44)23-18-29-16-19-32(20-17-29)31-8-4-2-5-9-31/h2-25,27H,26H2,1H3,(H,41,44)(H,42,45)(H,43,46)/b23-18+,25-24+"	CC1=CC=C(C=C1)CC(=O)NC2=C(C=C(C=C2)NC(=O)/C=C/NC(=O)/C=C/C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5	LFHSUJWYRQPOAS-HLCHKBGQSA-N
DG63008	4-[2-(4-Fluoro-phenyl)-vinyl]-benzenesulfonamide	5472587	NSC720345; CHEMBL7218; NSC-720345; 4-(4-Fluoro-trans-styryl)benzenesulfonamide; 4-[2-(4-Fluoro-phenyl)-vinyl]-benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720345	.	.	.	.	277.32	C14H12FNO2S	68.5	400	2.9	19	1	4	3	"InChI=1S/C14H12FNO2S/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)19(16,17)18/h1-10H,(H2,16,17,18)/b2-1+"	C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)S(=O)(=O)N)F	WJHBOSSYFGFFPC-OWOJBTEDSA-N
DG63009	4-[2-(4-Dimethylamino-phenyl)-vinyl]-benzenesulfonamide	5472593	NSC720352; CHEMBL7500; NSC-720352; 4-[4-(Dimethylamino)-trans-styryl]benzenesulfonamide; 4-[2-(4-Dimethylamino-phenyl)-vinyl]-benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720352	.	.	.	.	302.4	C16H18N2O2S	71.8	437	3	21	1	4	4	"InChI=1S/C16H18N2O2S/c1-18(2)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)21(17,19)20/h3-12H,1-2H3,(H2,17,19,20)/b4-3+"	CN(C)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)S(=O)(=O)N	AZJCYZBSMRXCNX-ONEGZZNKSA-N
DG63010	4-[2-(4-Hydroxy-phenyl)-vinyl]-benzenesulfonamide	5472594	NSC720354; CHEMBL7499; NSC-720354; 4-(4-Hydroxy-trans-styryl)benzenesulfonamide; 4-[2-(4-Hydroxy-phenyl)-vinyl]-benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720354	.	.	.	.	275.32	C14H13NO3S	88.8	397	2.3	19	2	4	3	"InChI=1S/C14H13NO3S/c15-19(17,18)14-9-5-12(6-10-14)2-1-11-3-7-13(16)8-4-11/h1-10,16H,(H2,15,17,18)/b2-1+"	C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)S(=O)(=O)N)O	LPEYCTKZJDNFON-OWOJBTEDSA-N
DG63011	"4-[2-(3,4-Dihydroxy-phenyl)-vinyl]-benzenesulfonamide"	5472597	"NSC720357; CHEMBL7037; SCHEMBL3676632; NSC-720357; 4-(3,4-Dihydroxy-trans-styryl)benzenesulfonamide; 4-[2-(3,4-Dihydroxy-phenyl)-vinyl]-benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720357	.	.	.	.	291.32	C14H13NO4S	109	435	2.1	20	3	5	3	"InChI=1S/C14H13NO4S/c15-20(18,19)12-6-3-10(4-7-12)1-2-11-5-8-13(16)14(17)9-11/h1-9,16-17H,(H2,15,18,19)/b2-1+"	C1=CC(=CC=C1/C=C/C2=CC(=C(C=C2)O)O)S(=O)(=O)N	YINNBTDWOUMDGY-OWOJBTEDSA-N
DG63012	"(Z)-1-(1,5-diphenylpyrazol-3-yl)-3-hydroxy-3-phenylprop-2-en-1-one"	5472604	NSC720421; CHEMBL1975133; NSC-720421; NCI60_041245	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720421	.	.	.	.	366.4	C24H18N2O2	55.1	543	5.6	28	1	3	5	"InChI=1S/C24H18N2O2/c27-23(19-12-6-2-7-13-19)17-24(28)21-16-22(18-10-4-1-5-11-18)26(25-21)20-14-8-3-9-15-20/h1-17,27H/b23-17-"	C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C(=O)/C=C(/C4=CC=CC=C4)\\O	PRUITDLCXVDDQS-QJOMJCCJSA-N
DG63013	"2-[(2Z)-2-phenacylidene-1,4-benzothiazin-3-yl]-1-phenylethanone"	5472606	NSC720429; CHEMBL2004597; NSC-720429	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720429	.	.	.	.	383.5	C24H17NO2S	71.8	641	5.1	28	0	4	5	"InChI=1S/C24H17NO2S/c26-21(17-9-3-1-4-10-17)15-20-24(16-22(27)18-11-5-2-6-12-18)28-23-14-8-7-13-19(23)25-20/h1-14,16H,15H2/b24-16-"	C1=CC=C(C=C1)C(=O)CC\\2=NC3=CC=CC=C3S/C2=C\\C(=O)C4=CC=CC=C4	ZCWVVNMCDXMIKN-JLPGSUDCSA-N
DG63014	(E)-2-[3-(trifluoromethyl)phenoxymethyl]phenyl-3-methoxyprop enoate	5472620	NSC720481; 117428-13-4; (E)-2-[3-(trifluoromethyl)phenoxymethyl]phenyl-3-methoxyprop enoate; CHEMBL1987037; SCHEMBL15315953; DTXSID20420226; NSC-720481	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720481	.	.	.	.	366.3	C19H17F3O4	44.8	490	4.3	26	0	7	7	"InChI=1S/C19H17F3O4/c1-24-12-17(18(23)25-2)16-9-4-3-6-13(16)11-26-15-8-5-7-14(10-15)19(20,21)22/h3-10,12H,11H2,1-2H3/b17-12+"	CO/C=C(\\C1=CC=CC=C1COC2=CC=CC(=C2)C(F)(F)F)/C(=O)OC	HHJMPMZMPDRRHS-SFQUDFHCSA-N
DG63015	Methyl (E)-2-[2-(pentafluorophenoxy)]phenyl-3-methoxypropenoate	5472621	NSC720482; CHEMBL1997082; NSC-720482; Methyl (E)-2-[2-(pentafluorophenoxy)]phenyl-3-methoxypropenoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720482	.	.	.	.	374.26	C17H11F5O4	44.8	501	4	26	0	9	6	"InChI=1S/C17H11F5O4/c1-24-7-9(17(23)25-2)8-5-3-4-6-10(8)26-16-14(21)12(19)11(18)13(20)15(16)22/h3-7H,1-2H3/b9-7+"	CO/C=C(\\C1=CC=CC=C1OC2=C(C(=C(C(=C2F)F)F)F)F)/C(=O)OC	LLJKQUFGOLIUJK-VQHVLOKHSA-N
DG63016	4-[2-(3-Methoxy-phenyl)-vinyl]-benzenesulfonamide	5472641	NSC720590; CHEMBL267240; NSC-720590; 4-(3-Methoxy-trans-styryl)benzenesulfonamide; 4-[2-(3-Methoxy-phenyl)-vinyl]-benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720590	.	.	.	.	289.4	C15H15NO3S	77.8	419	2.7	20	1	4	4	"InChI=1S/C15H15NO3S/c1-19-14-4-2-3-13(11-14)6-5-12-7-9-15(10-8-12)20(16,17)18/h2-11H,1H3,(H2,16,17,18)/b6-5+"	COC1=CC=CC(=C1)/C=C/C2=CC=C(C=C2)S(=O)(=O)N	VVJJGULCSHBLBE-AATRIKPKSA-N
DG63017	NSC720591	5472642	"(3R)-4-[(E)-2-(3,5-dihydroxy-4-methoxyphenyl)ethenyl]-4',6,6'-trihydroxy-2'-(3-hydroxyphenyl)spiro[1-benzofuran-3,3'-2H-1-benzofuran]-2-one; NSC720591; NSC-720591"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720591	.	.	.	.	542.5	C30H22O10	166	947	4.2	40	6	10	4	"InChI=1S/C30H22O10/c1-38-27-21(35)7-14(8-22(27)36)5-6-15-9-18(32)12-23-25(15)30(29(37)40-23)26-20(34)11-19(33)13-24(26)39-28(30)16-3-2-4-17(31)10-16/h2-13,28,31-36H,1H3/b6-5+/t28 ,30-/m1/s1"	COC1=C(C=C(C=C1O)/C=C/C2=C3C(=CC(=C2)O)OC(=O)[C@]34C(OC5=CC(=CC(=C45)O)O)C6=CC(=CC=C6)O)O	KHGBPZCKVUBCGO-FMWPOBPCSA-N
DG63018	"(3S)-4',6,6'-trihydroxy-2'-(3-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]spiro[1-benzofuran-3,3'-2H-1-benzofuran]-2-one"	5472643	NSC720592; NSC-720592	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720592	.	.	.	.	496.5	C29H20O8	137	870	4.6	37	5	8	3	"InChI=1S/C29H20O8/c30-18-8-5-15(6-9-18)4-7-16-10-20(32)13-23-25(16)29(28(35)37-23)26-22(34)12-21(33)14-24(26)36-27(29)17-2-1-3-19(31)11-17/h1-14,27,30-34H/b7-4+/t27 ,29-/m0/s1"	C1=CC(=CC(=C1)O)C2[C@@]3(C4=C(C=C(C=C4O2)O)O)C5=C(C=C(C=C5OC3=O)O)/C=C/C6=CC=C(C=C6)O	KGEBEOHZPNIDOO-LEZGXDNXSA-N
DG63019	2-Mercapto-6-(6-sulfonate-8-hydroxy santonic acid)-benzothiazole	5472646	NSC720603; CHEMBL1981807; NSC-720603; NCI60_041321; 2-mercapto-6-(6-sulfonate-8-hydroxy santonic acid)-benzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720603	.	.	.	.	497.7	C22H27NO6S3	179	936	3.7	32	3	8	5	"InChI=1S/C22H27NO6S3/c1-10-14(29-32(27,28)12-4-5-13-15(8-12)31-20(30)23-13)9-16-21(3)6-7-22(16,11(2)19(25)26)18(24)17(10)21/h4-5,8,10-11,14,16-18,24H,6-7,9H2,1-3H3,(H,23,30)(H,25,26)"	CC1C(CC2C3(C1C(C2(CC3)C(C)C(=O)O)O)C)OS(=O)(=O)C4=CC5=C(C=C4)NC(=S)S5	YRQPHMVBIFSQKD-UHFFFAOYSA-N
DG63020	"4-(4-Dimethylaminobenzyliden)-1-methyl-6-nitro-2-phenyl-4H-p yrazolo[1,5-a]indolium trifluoromethanesulfonate"	5472651	"NSC720622; 4-(4-Dimethylaminobenzyliden)-1-methyl-6-nitro-2-phenyl-4H-p yrazolo[1,5-a]indolium trifluoromethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720622	.	.	.	.	572.6	C27H23F3N4O5S	123	850	.	40	0	9	3	"InChI=1S/C26H23N4O2.CHF3O3S/c1-27(2)20-11-9-18(10-12-20)15-22-23-16-21(30(31)32)13-14-24(23)29-26(22)17-25(28(29)3)19-7-5-4-6-8-19;2-1(3,4)8(5,6)7/h4-17H,1-3H3;(H,5,6,7)/q+1;/p-1"	C[N+]1=C(C=C\\2N1C3=C(/C2=C/C4=CC=C(C=C4)N(C)C)C=C(C=C3)[N+](=O)[O-])C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]	CKJNKVUCIFATCQ-UHFFFAOYSA-M
DG63021	"N,N-dimethyl-4-[(Z)-(6-methyl-7,8,9,10-tetrahydroindolo[1,2-b]indazol-6-ium-11-ylidene)methyl]aniline;trifluoromethanesulfonate"	5472653	"NSC720623; NSC-720623; 11-(4-Dimethylaminobenzyliden)-6-methyl-7,9,10-tetrahydro- 11H-indolo[1,2-b]indazolium trifluoromethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720623	.	.	.	.	505.6	C25H26F3N3O3S	77.6	707	.	35	0	7	2	"InChI=1S/C24H26N3.CHF3O3S/c1-25(2)18-14-12-17(13-15-18)16-21-19-8-4-7-11-23(19)27-24(21)20-9-5-6-10-22(20)26(27)3;2-1(3,4)8(5,6)7/h4,7-8,11-16H,5-6,9-10H2,1-3H3;(H,5,6,7)/q+1;/p-1"	C[N+]1=C2CCCCC2=C\\3N1C4=CC=CC=C4/C3=C/C5=CC=C(C=C5)N(C)C.C(F)(F)(F)S(=O)(=O)[O-]	DOARKRWMRODJNP-UHFFFAOYSA-M
DG63022	"3-(5-Nitro-2-furyl)-2-(benzyl-1,4-triazol-2-yl)-acrylonitr ile"	5472657	"NSC720628; CHEMBL116696; NSC-720628; 3-(5-nitro-2-furyl)-2-(benzyl-1,4-triazol-2-yl)-acrylonitr ile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720628	.	.	.	.	321.29	C16H11N5O3	124	532	3	24	1	6	4	"InChI=1S/C16H11N5O3/c17-10-12(9-13-6-7-15(24-13)21(22)23)16-18-14(19-20-16)8-11-4-2-1-3-5-11/h1-7,9H,8H2,(H,18,19,20)/b12-9+"	C1=CC=C(C=C1)CC2=NC(=NN2)/C(=C/C3=CC=C(O3)[N+](=O)[O-])/C#N	NTIDGBCKTXTYPD-FMIVXFBMSA-N
DG63023	2-Benzoyl-3-(4-chloro-5-methyl-2-sulfidophenylsulfonylamino)-3-(4-dimethylamino-1-pyridinio)acrylonitrile	5472667	NSC720634; CHEMBL1977218; NSC-720634; 2-benzoyl-3-(4-chloro-5-methyl-2-sulfidophenylsulfonylamino) -3-(4-dimethylamino-1-pyridinio)acrylonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720634	.	.	.	.	513	C24H21ClN4O3S2	104	910	5	34	1	7	7	"InChI=1S/C24H21ClN4O3S2/c1-16-13-22(21(33)14-20(16)25)34(31,32)27-24(29-11-9-18(10-12-29)28(2)3)19(15-26)23(30)17-7-5-4-6-8-17/h4-14H,1-3H3,(H-,27,30,33)"	CC1=CC(=C(C=C1Cl)[S-])S(=O)(=O)N/C(=C(\\C#N)/C(=O)C2=CC=CC=C2)/[N+]3=CC=C(C=C3)N(C)C	KSIIZUKYEOFDJB-UHFFFAOYSA-N
DG63024	2-(4-Chlorobenzyl)-3-(4-chloro-5-methyl-2-sulfidophenylsulfo nylamino)-3-(4-dimethylamino-1-pyridinio)acrylonitrile	5472669	NSC720635; CHEMBL1974398; NSC-720635; 2-(4-chlorobenzyl)-3-(4-chloro-5-methyl-2-sulfidophenylsulfo nylamino)-3-(4-dimethylamino-1-pyridinio)acrylonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720635	.	.	.	.	547.5	C24H20Cl2N4O3S2	104	944	5.7	35	1	7	7	"InChI=1S/C24H20Cl2N4O3S2/c1-15-12-22(21(34)13-20(15)26)35(32,33)28-24(30-10-8-18(9-11-30)29(2)3)19(14-27)23(31)16-4-6-17(25)7-5-16/h4-13H,1-3H3,(H-,28,31,34)"	CC1=CC(=C(C=C1Cl)[S-])S(=O)(=O)N/C(=C(\\C#N)/C(=O)C2=CC=C(C=C2)Cl)/[N+]3=CC=C(C=C3)N(C)C	MHVRSWARXLBCSI-UHFFFAOYSA-N
DG63025	NSC720792	5472693	"4-(4-Dimethylaminobenzyliden)-2-(3-dimethylaminopropylaminoc arbonyl)-1-methyl-4H-pyrazolo[1,5-a]indolium trifluoromethanesulfonate; NSC720792; CHEMBL1982891; NSC-720792; 4-(4-Dimethylaminobenzyliden)-2-(3-dimethylaminopropylaminoc arbonyl)-1-methyl-4H-pyrazolo[1,5-a]indolium trifluoromethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720792	.	.	.	.	579.6	C27H32F3N5O4S	110	814	.	40	1	9	7	"InChI=1S/C26H31N5O.CHF3O3S/c1-28(2)16-8-15-27-26(32)25-18-24-22(17-19-11-13-20(14-12-19)29(3)4)21-9-6-7-10-23(21)31(24)30(25)5;2-1(3,4)8(5,6)7/h6-7,9-14,17-18H,8,15-16H2,1-5H3;(H,5,6,7)"	C[N+]1=C(C=C\\2N1C3=CC=CC=C3/C2=C/C4=CC=C(C=C4)N(C)C)C(=O)NCCCN(C)C.C(F)(F)(F)S(=O)(=O)[O-]	NVDOTNVYYRUZEJ-UHFFFAOYSA-N
DG63026	NSC720793	5472695	"3-[[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-1-methylpyrazolo[1,5-a]indol-1-ium-2-yl]carbamoylamino]propyl-trimethylazanium;trifluoromethanesulfonate; NSC720793; NSC-720793; 4-(4-Dimethylaminobenzyliden-1-methyl-2-[N'-(3-trimethylammo niopropyl)ureido]-11H-pyrazolo[1,5-a]indolium trifluoromethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720793	.	.	.	.	609.7	C28H36F3N6O4S+	119	868	.	42	2	8	7	"InChI=1S/C27H34N6O.CHF3O3S/c1-30(2)21-14-12-20(13-15-21)18-23-22-10-7-8-11-24(22)32-25(23)19-26(31(32)3)29-27(34)28-16-9-17-33(4,5)6;2-1(3,4)8(5,6)7/h7-8,10-15,18-19H,9,16-17H2,1-6H3;(H,5,6,7)/p+1/b23-18-;"	C[N+]1=C(C=C\\2N1C3=CC=CC=C3/C2=C/C4=CC=C(C=C4)N(C)C)NC(=O)NCCC[N+](C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]	NAJFCNNHHYEWOY-XTMYEIJHSA-O
DG63027	rhuschalcone I	5472697	rhuschalcone I; NSC720812; CHEMBL467415; NSC-720812	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720812	.	.	.	.	538.5	C32H26O8	123	870	7	40	3	8	10	"InChI=1S/C32H26O8/c1-38-24-13-14-25(29(36)17-24)27(34)15-7-21-5-11-23(12-6-21)40-32-18-26(30(37)19-31(32)39-2)28(35)16-8-20-3-9-22(33)10-4-20/h3-19,33,36-37H,1-2H3/b15-7+,16-8+"	COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OC3=C(C=C(C(=C3)C(=O)/C=C/C4=CC=C(C=C4)O)O)OC)O	KGGDBGGPDRWGEC-BGPOSVGRSA-N
DG63028	3-Bromo-4-(3-chloro-4-hydroxyphenyl)-5-(4-hydroxybenzylidene)furan-2(5H)-one	5472705	NSC720858; CHEMBL2001018; NSC-720858; (5Z)-3-bromo-5-[(4-hydroxyphenyl)methylene]-4-(3-chloro-4-hy droxyphenyl)-2(5H)-furanone; 3-Bromo-4-(3-chloro-4-hydroxyphenyl)-5-(4-hydroxybenzylidene)furan-2(5H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720858	.	.	.	.	393.6	C17H10BrClO4	66.8	537	4.3	23	2	4	2	"InChI=1S/C17H10BrClO4/c18-16-15(10-3-6-13(21)12(19)8-10)14(23-17(16)22)7-9-1-4-11(20)5-2-9/h1-8,20-21H/b14-7-"	C1=CC(=CC=C1/C=C\\2/C(=C(C(=O)O2)Br)C3=CC(=C(C=C3)O)Cl)O	YLZGYZBRGQMYRW-AUWJEWJLSA-N
DG63029	7Z-Plakortide H	5472712	7Z-Plakortide H; NSC721049; CHEMBL2005077; NSC-721049	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721049	.	.	.	.	352.5	C21H36O4	55.8	469	5.8	25	1	4	10	"InChI=1S/C21H36O4/c1-6-10-11-17(7-2)12-16(5)14-21(9-4)15-18(8-3)19(24-25-21)13-20(22)23/h10-11,14,17-19H,6-9,12-13,15H2,1-5H3,(H,22,23)/b11-10+,16-14-/t17 ,18-,19-,21+/m0/s1"	CC/C=C/C(CC)C/C(=C\\[C@@]1(C[C@@H]([C@@H](OO1)CC(=O)O)CC)CC)/C	QTIPTWPLMFIHPM-OWJDXIQASA-N
DG63030	12-Epieupalmerone	5472714	12-Epieupalmerone; 12-epi-eupalmerone; CHEMBL522252; NSC721051; NSC-721051	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721051	.	.	.	.	332.4	C20H28O4	55.9	590	3.6	24	0	4	0	"InChI=1S/C20H28O4/c1-12-7-5-9-13(2)17(21)18-15(14(3)19(22)23-18)11-16-20(4,24-16)10-6-8-12/h8,13,15-16,18H,3,5-7,9-11H2,1-2,4H3/b12-8+/t13-,15+,16-,18-,20-/m1/s1"	C[C@@H]1CCC/C(=C/CC[C@@]2([C@H](O2)C[C@@H]3[C@H](C1=O)OC(=O)C3=C)C)/C	FGMVUGQMSRSYDL-JDROQCLMSA-N
DG63031	"4-Cyanomethyl-1-methyl-4H-pyrazolo[1,5-a]indolium trifluoromethanesulfonate"	5472727	"NSC721153; CHEMBL1965147; NSC-721153; 4-Cyanomethyl-1-methyl-4H-pyrazolo[1,5-a]indolium trifluoromethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721153	.	.	.	.	357.31	C14H10F3N3O3S	98.2	509	.	24	0	7	0	"InChI=1S/C13H10N3.CHF3O3S/c1-15-9-7-13-11(6-8-14)10-4-2-3-5-12(10)16(13)15;2-1(3,4)8(5,6)7/h2-7,9H,1H3;(H,5,6,7)/q+1;/p-1/b11-6-;"	C[N+]1=CC=C\\2N1C3=CC=CC=C3/C2=C/C#N.C(F)(F)(F)S(=O)(=O)[O-]	WTCDPFCXHYDEBD-AVHZNCSWSA-M
DG63032	"11-Cyanomethylen-2-methoxy-6-methyl-11H-indolo[1,2-b]indazol ium trifluoromethanesulfonate"	5472729	"NSC721154; CHEMBL1995311; NSC-721154; 11-Cyanomethylen-2-methoxy-6-methyl-11H-indolo[1,2-b]indazol ium trifluoromethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721154	.	.	.	.	437.4	C19H14F3N3O4S	107	666	.	30	0	8	1	"InChI=1S/C18H14N3O.CHF3O3S/c1-20-16-6-4-3-5-14(16)18-13(9-10-19)15-11-12(22-2)7-8-17(15)21(18)20;2-1(3,4)8(5,6)7/h3-9,11H,1-2H3;(H,5,6,7)/q+1;/p-1/b13-9-;"	C[N+]1=C2C=CC=CC2=C\\3N1C4=C(/C3=C/C#N)C=C(C=C4)OC.C(F)(F)(F)S(=O)(=O)[O-]	AZWLWIIRUMHRKC-CHHCPSLASA-M
DG63033	4-amino-2-(4-chloroanilino)-5-(4-chlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide	5472776	NSC721531; CHEMBL1992181; NSC-721531; NCI60_041543	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721531	.	.	.	.	481.4	C24H18Cl2N4OS	115	646	6.8	32	4	4	6	"InChI=1S/C24H18Cl2N4OS/c25-15-8-6-14(7-9-15)22(31)21-20(27)19(24(32)29-17-4-2-1-3-5-17)23(30-21)28-18-12-10-16(26)11-13-18/h1-13,28,30H,27H2,(H,29,32)"	C1=CC=C(C=C1)NC(=S)C2=C(NC(=C2N)C(=O)C3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)Cl	ZNBUNKOWADISJX-UHFFFAOYSA-N
DG63034	4-amino-2-(benzylamino)-5-(4-chlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide	5472780	NSC721535; CHEMBL1994858; NSC-721535; NCI60_041545	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721535	.	.	.	.	461	C25H21ClN4OS	115	629	6.1	32	4	4	7	"InChI=1S/C25H21ClN4OS/c26-18-13-11-17(12-14-18)23(31)22-21(27)20(25(32)29-19-9-5-2-6-10-19)24(30-22)28-15-16-7-3-1-4-8-16/h1-14,28,30H,15,27H2,(H,29,32)"	C1=CC=C(C=C1)CNC2=C(C(=C(N2)C(=O)C3=CC=C(C=C3)Cl)N)C(=S)NC4=CC=CC=C4	DOBDKLHUGXVJKF-UHFFFAOYSA-N
DG63035	4-amino-2-(4-chloroanilino)-5-(4-methylbenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide	5472799	NSC721554; CHEMBL2005804; NSC-721554; NCI60_041548	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721554	.	.	.	.	461	C25H21ClN4OS	115	642	6.6	32	4	4	6	"InChI=1S/C25H21ClN4OS/c1-15-7-9-16(10-8-15)23(31)22-21(27)20(25(32)29-18-5-3-2-4-6-18)24(30-22)28-19-13-11-17(26)12-14-19/h2-14,28,30H,27H2,1H3,(H,29,32)"	CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)NC3=CC=C(C=C3)Cl)C(=S)NC4=CC=CC=C4)N	ABMVZGXSTHXHIO-UHFFFAOYSA-N
DG63036	Lissoclinolide	5472800	Lissoclinolide; Kissoclinolide; lissoclinolide tetrenolin; CHEMBL465684; NSC721618; NSC-721618	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721618	.	.	.	.	208.21	C11H12O4	66.8	348	0.2	15	2	4	4	"InChI=1S/C11H12O4/c12-6-2-1-5-10-8-9(4-3-7-13)11(14)15-10/h1-5,8,12-13H,6-7H2/b2-1+,4-3+,10-5-"	C\\1=C(C(=O)O/C1=C\\C=C\\CO)/C=C/CO	ZYNGLDJNLYFSIV-CZFMBXACSA-N
DG63037	"4-N-(3-chlorophenyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine"	5472820	NSC721685; CHEMBL1975533; NSC-721685	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721685	.	.	.	.	352.8	C19H17ClN4O	73.1	436	4.6	25	2	5	5	"InChI=1S/C19H17ClN4O/c1-25-17-8-3-2-5-13(17)9-10-16-18(21)22-12-23-19(16)24-15-7-4-6-14(20)11-15/h2-12H,1H3,(H3,21,22,23,24)/b10-9+"	COC1=CC=CC=C1/C=C/C2=C(N=CN=C2NC3=CC(=CC=C3)Cl)N	FLTVXYFGUTYAFM-MDZDMXLPSA-N
DG63038	5-acetyl-4-amino-2-(benzylamino)-N-phenyl-1H-pyrrole-3-carbothioamide	5472829	NSC721878; CHEMBL1997660; NSC-721878	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721878	.	.	.	.	364.5	C20H20N4OS	115	488	3.8	26	4	4	6	"InChI=1S/C20H20N4OS/c1-13(25)18-17(21)16(20(26)23-15-10-6-3-7-11-15)19(24-18)22-12-14-8-4-2-5-9-14/h2-11,22,24H,12,21H2,1H3,(H,23,26)"	CC(=O)C1=C(C(=C(N1)NCC2=CC=CC=C2)C(=S)NC3=CC=CC=C3)N	RYWIOEVALJHGGP-UHFFFAOYSA-N
DG63039	5-acetyl-4-amino-N-phenyl-2-(propylamino)-1H-pyrrole-3-carbothioamide	5472830	NSC721879; CHEMBL1988912; NSC-721879	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721879	.	.	.	.	316.4	C16H20N4OS	115	398	3.2	22	4	4	6	"InChI=1S/C16H20N4OS/c1-3-9-18-15-12(13(17)14(20-15)10(2)21)16(22)19-11-7-5-4-6-8-11/h4-8,18,20H,3,9,17H2,1-2H3,(H,19,22)"	CCCNC1=C(C(=C(N1)C(=O)C)N)C(=S)NC2=CC=CC=C2	KYOCBEICGNPNHZ-UHFFFAOYSA-N
DG63040	5-acetyl-4-amino-N-phenyl-2-(propan-2-ylamino)-1H-pyrrole-3-carbothioamide	5472831	NSC721880; CHEMBL1981289; NSC-721880	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721880	.	.	.	.	316.4	C16H20N4OS	115	409	3.2	22	4	4	5	"InChI=1S/C16H20N4OS/c1-9(2)18-15-12(13(17)14(20-15)10(3)21)16(22)19-11-7-5-4-6-8-11/h4-9,18,20H,17H2,1-3H3,(H,19,22)"	CC(C)NC1=C(C(=C(N1)C(=O)C)N)C(=S)NC2=CC=CC=C2	INLDOJMEBAEMQR-UHFFFAOYSA-N
DG63041	"5-[2-Benzoyl-1,3-bis(4-methoxyphenyl)-5-oxo-5-phenylpentyl]-2-sulfanylidene-1,3-diazinane-4,6-dione"	5472840	NSC721966; NSC-721966	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721966	.	.	.	.	620.7	C36H32N2O6S	143	1030	5.6	45	2	7	12	"InChI=1S/C36H32N2O6S/c1-43-26-17-13-22(14-18-26)28(21-29(39)23-9-5-3-6-10-23)31(33(40)25-11-7-4-8-12-25)30(24-15-19-27(44-2)20-16-24)32-34(41)37-36(45)38-35(32)42/h3-20,28,30-32H,21H2,1-2H3,(H2,37,38,41,42,45)"	COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(C(C3C(=O)NC(=S)NC3=O)C4=CC=C(C=C4)OC)C(=O)C5=CC=CC=C5	MGTJJXGDAUYMNB-UHFFFAOYSA-N
DG63042	"7,11-Bis(2-chlorophenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione"	5472843	NSC721971; CHEMBL1986993; NSC-721971	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721971	.	.	.	.	447.3	C21H16Cl2N2O3S	107	675	3.5	29	2	4	2	"InChI=1S/C21H16Cl2N2O3S/c22-16-7-3-1-5-12(16)14-9-11(26)10-15(13-6-2-4-8-17(13)23)21(14)18(27)24-20(29)25-19(21)28/h1-8,14-15H,9-10H2,(H2,24,25,27,28,29)"	C1C(C2(C(CC1=O)C3=CC=CC=C3Cl)C(=O)NC(=S)NC2=O)C4=CC=CC=C4Cl	FEPIIKKLJAZGOK-UHFFFAOYSA-N
DG63043	"(1R,3R,6Z,10E,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-one"	5472849	NSC722071; CHEMBL1971272; NSC-722071	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722071	.	.	.	.	302.5	C20H30O2	29.6	512	4.4	22	0	2	1	"InChI=1S/C20H30O2/c1-14(2)17-12-18(21)16(4)10-6-8-15(3)9-7-11-20(5)19(13-17)22-20/h9-10,17,19H,1,6-8,11-13H2,2-5H3/b15-9+,16-10-/t17-,19+,20+/m0/s1"	C/C/1=C\\CC[C@@]2([C@H](O2)C[C@H](CC(=O)/C(=C\\CC1)/C)C(=C)C)C	OEPTXZKKXAKLNP-CAPRJZRZSA-N
DG63044	"1-p-Chlorophenyl-2-thioxo-4-aminoquinolino[2,3-d]pyrimidine"	5472852	"NSC722162; CHEMBL1992830; NSC-722162; 1-p-chlorophenyl-2-thioxo-4-aminoquinolino[2,3-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722162	.	.	.	.	338.8	C17H11ClN4S	86.6	503	3.7	23	1	2	1	"InChI=1S/C17H11ClN4S/c18-11-5-7-12(8-6-11)22-16-13(15(19)21-17(22)23)9-10-3-1-2-4-14(10)20-16/h1-9H,(H2,19,21,23)"	C1=CC=C2C(=C1)C=C3C(=NC(=S)N(C3=N2)C4=CC=C(C=C4)Cl)N	XCOXFKCLKLOBSD-UHFFFAOYSA-N
DG63045	"1H-pyrimido[4,5-b]quinoline-2,4-dithione"	5472868	"1H-pyrimido[4,5-b]quinoline-2,4-dithione; NSC722222; NSC-722222; 13514-98-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722222	.	.	.	.	245.3	C11H7N3S2	101	331	2.2	16	2	3	0	"InChI=1S/C11H7N3S2/c15-10-7-5-6-3-1-2-4-8(6)12-9(7)13-11(16)14-10/h1-5H,(H2,12,13,14,15,16)"	C1=CC=C2C(=C1)C=C3C(=N2)NC(=S)NC3=S	BLAIYDTVGVUIMQ-UHFFFAOYSA-N
DG63046	17-n-Propylamino-geldanamycin	5472884	17-n-Propylamino-geldanamycin; NSC662199; SCHEMBL16225759; SCHEMBL16225760; NSC-662199	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662199	.	.	.	.	587.7	C31H45N3O8	166	1180	2.9	42	4	9	7	"InChI=1S/C31H45N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h9-11,15-17,19,24-25,27,29,33,36H,8,12-14H2,1-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17 ,19-,24 ,25 ,27+,29 /m1/s1"	CCCNC1=C2CC(CC([C@H]([C@@H](/C=C(/C(C(/C=C\\C=C(\\C(=O)NC(=CC1=O)C2=O)/C)OC)OC(=O)N)\\C)C)O)OC)C	WYFYMWZHGYHGAR-CTPSMGKJSA-N
DG63047	N'-[5-cyano-1-methyl-4-(4-nitrophenyl)-6-oxopyrimidin-2-yl]acetohydrazide	5472891	NSC722321; CHEMBL1969503; NSC-722321	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722321	.	.	.	.	328.28	C14H12N6O4	143	675	0.2	24	2	6	3	"InChI=1S/C14H12N6O4/c1-8(21)17-18-14-16-12(11(7-15)13(22)19(14)2)9-3-5-10(6-4-9)20(23)24/h3-6H,1-2H3,(H,16,18)(H,17,21)"	CC(=O)NNC1=NC(=C(C(=O)N1C)C#N)C2=CC=C(C=C2)[N+](=O)[O-]	HLJHELUUMGFSFE-UHFFFAOYSA-N
DG63048	"5-Methyl-3,10,11-triaza-11H-benzo[b]fluorene"	5472897	"NSC722422; CHEMBL1985873; NSC-722422; 5-Methyl-3,10,11-triaza-11H-benzo[b]fluorene; 5H-Pyrido[3',5]pyrrolo[2,3-b]quinoline, 11-methyl"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722422	.	.	.	.	233.27	C15H11N3	41.6	319	3.1	18	1	2	0	"InChI=1S/C15H11N3/c1-9-10-4-2-3-5-12(10)17-15-14(9)11-8-16-7-6-13(11)18-15/h2-8H,1H3,(H,17,18)"	CC1=C2C3=C(C=CN=C3)NC2=NC4=CC=CC=C14	JBYMKEBMCKBUKP-UHFFFAOYSA-N
DG63049	"5-Methyl-3,7,10,11-tetraaza-11H-benzo[b]fluorene"	5472898	"NSC722423; CHEMBL1988775; NSC-722423; 5-Methyl-3,7,10,11-tetraaza-11H-benzo[b]fluorene; 5H-Pyrido[3',5]pyrrolo[2,3-b][1,6]naphthyridine, 11-methyl"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722423	.	.	.	.	234.26	C14H10N4	54.5	321	2.2	18	1	3	0	"InChI=1S/C14H10N4/c1-8-9-6-15-4-2-11(9)17-14-13(8)10-7-16-5-3-12(10)18-14/h2-7H,1H3,(H,17,18)"	CC1=C2C=NC=CC2=NC3=C1C4=C(N3)C=CN=C4	GDVZVLLPMMOFLN-UHFFFAOYSA-N
DG63050	3-Chloro-4-(4-hydroxyphenyl)-5-(3-bromo-4-hydroxybenzylidene)furan-2(5H)-one	5472908	Rubrolide I; NSC722460; CHEMBL469402; NSC-722460; (Z)-3-chloro-4-(4'-hydroxyphenyl)-5-(3; 3-Chloro-4-(4-hydroxyphenyl)-5-(3-bromo-4-hydroxybenzylidene)furan-2(5H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722460	.	.	.	.	393.6	C17H10BrClO4	66.8	537	4.3	23	2	4	2	"InChI=1S/C17H10BrClO4/c18-12-7-9(1-6-13(12)21)8-14-15(16(19)17(22)23-14)10-2-4-11(20)5-3-10/h1-8,20-21H/b14-8-"	C1=CC(=CC=C1C\\2=C(C(=O)O/C2=C\\C3=CC(=C(C=C3)O)Br)Cl)O	WXCBXFXYLBBMBQ-ZSOIEALJSA-N
DG63051	Partricin A 2-pyridinylethylamide	5472914	Partricin A 2-pyridinylethylamide; NSC722657; 137042-33-2; NSC-722657	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722657	.	.	.	.	1231.5	C66H94N4O18	371	2330	3.9	88	13	21	14	"InChI=1S/C66H94N4O18/c1-41-19-15-13-11-9-7-5-6-8-10-12-14-16-21-54(86-65-62(82)60(67)61(81)43(3)85-65)38-57-59(64(83)70-30-28-46-20-17-18-29-69-46)56(79)40-66(84,88-57)39-53(77)35-51(75)33-49(73)31-48(72)32-50(74)34-52(76)37-58(80)87-63(41)42(2)22-27-47(71)36-55(78)44-23-25-45(68-4)26-24-44/h5-21,23-26,29,41-43,47-49,51-54,56-57,59-63,65,68,71-73,75-77,79,81-82,84H,22,27-28,30-40,67H2,1-4H3,(H,70,83)/b6-5-,9-7-,10-8+,13-11+,14-12+,19-15+,21-16+"	CC1/C=C/C=C/C=C\\C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCC4=CC=CC=N4)OC5C(C(C(C(O5)C)O)N)O	XLBKUGPZIGESSH-HPKJJUTRSA-N
DG63052	2-Hydroxy-5-[2-(4-sulfamoyl-phenyl)-vinyl]-benzoic acid methyl ester	5472924	NSC722843; ZINC6482639; NSC-722843; 2-Hydroxy-5-[2-(4-sulfamoyl-phenyl)-vinyl]-benzoic acid methyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722843	.	.	.	.	333.4	C16H15NO5S	115	531	2.8	23	2	6	5	"InChI=1S/C16H15NO5S/c1-22-16(19)14-10-12(6-9-15(14)18)3-2-11-4-7-13(8-5-11)23(17,20)21/h2-10,18H,1H3,(H2,17,20,21)/b3-2+"	COC(=O)C1=C(C=CC(=C1)/C=C/C2=CC=C(C=C2)S(=O)(=O)N)O	ZJVMZHMOCNGMSP-NSCUHMNNSA-N
DG63053	"Methyl 5-benzyl-2-hydroxy-3-nitro-6,11-dioxobenzo[b]carbazole-1-carboxylate"	5472966	NSC722992; NSC-722992	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722992	.	.	.	.	456.4	C25H16N2O7	131	851	4.8	34	1	7	4	"InChI=1S/C25H16N2O7/c1-34-25(31)20-18-16(11-17(24(20)30)27(32)33)26(12-13-7-3-2-4-8-13)21-19(18)22(28)14-9-5-6-10-15(14)23(21)29/h2-11,30H,12H2,1H3"	COC(=O)C1=C2C(=CC(=C1O)[N+](=O)[O-])N(C3=C2C(=O)C4=CC=CC=C4C3=O)CC5=CC=CC=C5	AELFOOHSJHUYNI-UHFFFAOYSA-N
DG63054	"1,6-Heptadiene-3,5-dione"	5473011	"NSC723432; 1,6-heptadiene -3,5-dione; CHEMBL2007393; NSC-723432"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723432	.	.	.	.	396.4	C23H24O6	93.1	561	3.9	29	2	6	8	"InChI=1S/C23H24O6/c1-14-9-16(11-20(28-3)22(14)26)5-7-18(24)13-19(25)8-6-17-10-15(2)23(27)21(12-17)29-4/h5-12,26-27H,13H2,1-4H3/b7-5+,8-6+"	CC1=CC(=CC(=C1O)OC)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C(=C2)C)O)OC	UWTIHWBYQAERJU-KQQUZDAGSA-N
DG63055	"1,4,5-Trimethoxybenzylidenylcarbonyl)cyclohexane"	5473013	"NSC723434; CHEMBL1968317; NSC-723434; 1,4,5-trimethoxybenzylidenylcarbonyl)cyclohexane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723434	.	.	.	.	524.6	C30H36O8	89.5	729	5.8	38	0	8	12	"InChI=1S/C30H36O8/c1-33-22-16-20(17-23(34-2)28(22)37-5)10-12-26(31)30(14-8-7-9-15-30)27(32)13-11-21-18-24(35-3)29(38-6)25(19-21)36-4/h10-13,16-19H,7-9,14-15H2,1-6H3/b12-10+,13-11+"	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2(CCCCC2)C(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC	LLMIEDSUDXESTN-DCIPZJNNSA-N
DG63056	"8-Aniline-3,6-octadiene Pyrophosphate"	5473016	"NSC723480; CHEMBL1964574; 8-Aniline-3,6-octadiene Pyrophosphate; NSC-723480"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723480	.	.	.	.	422.35	C16H28N2O7P2	126	579	.	27	5	9	11	"InChI=1S/C16H25NO7P2.H3N/c1-14(11-12-23-26(21,22)24-25(18,19)20)7-6-8-15(2)13-17-16-9-4-3-5-10-16;/h3-5,8-11,17H,6-7,12-13H2,1-2H3,(H,21,22)(H2,18,19,20);1H3/b14-11+,15-8+;"	C/C(=C\\COP(=O)(O)OP(=O)(O)O)/CC/C=C(\\C)/CNC1=CC=CC=C1.N	QGIJJLZOUPJXAW-NTBORDEGSA-N
DG63057	"8-Aniline-3,6-octadiene Methylenediphosphonate"	5473022	"NSC723483; CHEMBL2004474; NSC-723483; 8-Aniline-3,6-octadiene Methylenediphosphonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723483	.	.	.	.	420.4	C17H30N2O6P2	117	578	.	27	5	8	11	"InChI=1S/C17H27NO6P2.H3N/c1-15(11-12-24-26(22,23)14-25(19,20)21)7-6-8-16(2)13-18-17-9-4-3-5-10-17;/h3-5,8-11,18H,6-7,12-14H2,1-2H3,(H,22,23)(H2,19,20,21);1H3/b15-11+,16-8+;"	C/C(=C\\COP(=O)(CP(=O)(O)O)O)/CC/C=C(\\C)/CNC1=CC=CC=C1.N	YTJZCLWKCDETDU-FHFBBBDASA-N
DG63058	"3,7-Dimethyl-8-(phenylamino)-2,6-octadiene-1-ol"	5473024	"NSC723484; 8-Aniline-3,6-octadienol; SCHEMBL7512926; CHEMBL1993398; NSC-723484; 3,7-Dimethyl-8-(phenylamino)-2,6-octadiene-1-ol; (2E,6E)-3,7-Dimethyl-8-anilino-2,6-octadiene-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723484	.	.	.	.	245.36	C16H23NO	32.299	275	4	18	2	2	7	"InChI=1S/C16H23NO/c1-14(11-12-18)7-6-8-15(2)13-17-16-9-4-3-5-10-16/h3-5,8-11,17-18H,6-7,12-13H2,1-2H3/b14-11+,15-8+"	C/C(=C\\CO)/CC/C=C(\\C)/CNC1=CC=CC=C1	JVVQYWITFPUEFG-GGQZXFEVSA-N
DG63059	"3,7-Dimethyl-8-(4-nitrophenylamino)-2,6-octadiene-1-ol"	5473025	"NSC723485; CHEMBL1973600; 8-(p-Nitroaniline)-3,6-octadienol; NSC-723485; 3,7-Dimethyl-8-(4-nitrophenylamino)-2,6-octadiene-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723485	.	.	.	.	290.36	C16H22N2O3	78.1	378	3.8	21	2	4	7	"InChI=1S/C16H22N2O3/c1-13(10-11-19)4-3-5-14(2)12-17-15-6-8-16(9-7-15)18(20)21/h5-10,17,19H,3-4,11-12H2,1-2H3/b13-10+,14-5+"	C/C(=C\\CO)/CC/C=C(\\C)/CNC1=CC=C(C=C1)[N+](=O)[O-]	VFTGLKIJFDTNHS-NCLYQNMFSA-N
DG63060	"8-Aniline-3,6-octadiene-S-L-cysteine"	5473027	"NSC723487; CHEMBL2004821; NSC-723487; 8-Aniline-3,6-octadiene-S-L-cysteine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723487	.	.	.	.	348.5	C19H28N2O2S	101	429	1.8	24	3	5	11	"InChI=1S/C19H28N2O2S/c1-15(11-12-24-14-18(20)19(22)23)7-6-8-16(2)13-21-17-9-4-3-5-10-17/h3-5,8-11,18,21H,6-7,12-14,20H2,1-2H3,(H,22,23)/b15-11+,16-8+"	C/C(=C\\CSCC(C(=O)O)N)/CC/C=C(\\C)/CNC1=CC=CC=C1	HIBWUMRSDSPMOM-ZYHSJPTQSA-N
DG63061	6-Benzyloxy-3-methyl-2-hexen-1-ol pyrophosphate	5473028	NSC723488; CHEMBL1998227; NSC-723488; 6-Benzyloxy-3-methyl-2-hexen-1-ol pyrophosphate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723488	.	.	.	.	397.3	C14H25NO8P2	124	481	.	25	4	9	11	"InChI=1S/C14H22O8P2.H3N/c1-13(9-11-21-24(18,19)22-23(15,16)17)6-5-10-20-12-14-7-3-2-4-8-14;/h2-4,7-9H,5-6,10-12H2,1H3,(H,18,19)(H2,15,16,17);1H3/b13-9+;"	C/C(=C\\COP(=O)(O)OP(=O)(O)O)/CCCOCC1=CC=CC=C1.N	MNDVOGBNNHJDON-KJEVSKRMSA-N
DG63062	1(2-Naphthyl)-3-(4-methylphenyl)imino-1-propenyl-1-(4-methyl phenyl)amine hydrochloride	5473033	NSC723517; CHEMBL1991103; NSC-723517; 1(2-naphthyl)-3-(4-methylphenyl)imino-1-propenyl-1-(4-methyl phenyl)amine hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723517	.	.	.	.	413	C27H25ClN2	24.4	549	.	30	2	2	5	"InChI=1S/C27H24N2.ClH/c1-20-7-13-25(14-8-20)28-18-17-27(29-26-15-9-21(2)10-16-26)24-12-11-22-5-3-4-6-23(22)19-24;/h3-19,29H,1-2H3;1H/b27-17-,28-18 ;"	CC1=CC=C(C=C1)N/C(=C\\C=NC2=CC=C(C=C2)C)/C3=CC4=CC=CC=C4C=C3.Cl	MTFCGBIEHOYXRI-VZLLZMPBSA-N
DG63063	"1-(2-naphthyl)-1-chloro-1-propenyl-3-N,N-(dimethyl)-imino chloride"	5473036	"NSC723524; CHEMBL1999162; NSC-723524; 1-(2-naphthyl)-1-chloro-1-propenyl-3-N,N-(dimethyl)-imino chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723524	.	.	.	.	280.2	C15H15Cl2N	3	315	.	18	0	1	2	"InChI=1S/C15H15ClN.ClH/c1-17(2)10-9-15(16)14-8-7-12-5-3-4-6-13(12)11-14;/h3-11H,1-2H3;1H/q+1;/p-1/b15-9-;"	C[N+](=C/C=C(/C1=CC2=CC=CC=C2C=C1)\\Cl)C.[Cl-]	UEOLWKCQLMAJFN-SOCRLDLMSA-M
DG63064	1-(2-Naphtyl)-1-chloro-1-propenyl-3-(4-carbethoxyphenyl)-imi no chloride	5473038	NSC723525; CHEMBL1994412; NSC-723525; 1-(2-naphtyl)-1-chloro-1-propenyl-3-(4-carbethoxyphenyl)-imi no chloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723525	.	.	.	.	372.3	C21H19Cl2NO	21.6	439	.	25	1	2	5	"InChI=1S/C21H18ClNO.ClH/c1-2-24-20-11-9-19(10-12-20)23-14-13-21(22)18-8-7-16-5-3-4-6-17(16)15-18;/h3-15H,2H2,1H3;1H/b21-13-,23-14 ;"	CCOC1=CC=C(C=C1)N=C/C=C(/C2=CC3=CC=CC=C3C=C2)\\Cl.Cl	FNQSTWUORACNCU-LEWFWPQISA-N
DG63065	1-(2-Naphthyl)-1-chloro-1-propenyl-3-(4-iodophenyl)-imino chloride	5473040	NSC723526; CHEMBL1972191; NSC-723526; 1-(2-naphthyl)-1-chloro-1-propenyl-3-(4-iodophenyl)-imino chloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723526	.	.	.	.	454.1	C19H14Cl2IN	12.4	412	.	23	1	1	3	"InChI=1S/C19H13ClIN.ClH/c20-19(11-12-22-18-9-7-17(21)8-10-18)16-6-5-14-3-1-2-4-15(14)13-16;/h1-13H;1H/b19-11-,22-12 ;"	C1=CC=C2C=C(C=CC2=C1)/C(=C/C=NC3=CC=C(C=C3)I)/Cl.Cl	CJKRYMHFLVYKHG-MQGQIZMRSA-N
DG63066	1-(2-Naphthyl)-1-chloro-1-propenyl-3-(3-methylphenyl)-imino chloride	5473042	NSC723527; CHEMBL1989977; NSC-723527; 1-(2-naphthyl)-1-chloro-1-propenyl-3-(3-methylphenyl)-imino chloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723527	.	.	.	.	342.3	C20H17Cl2N	12.4	414	.	23	1	1	3	"InChI=1S/C20H16ClN.ClH/c1-15-5-4-8-19(13-15)22-12-11-20(21)18-10-9-16-6-2-3-7-17(16)14-18;/h2-14H,1H3;1H/b20-11-,22-12 ;"	CC1=CC(=CC=C1)N=C/C=C(/C2=CC3=CC=CC=C3C=C2)\\Cl.Cl	GUYSJNIZVGBVPA-VYAKPLSASA-N
DG63067	1-(2-Naphthyl)-3-(4-carbethoxyphenyl)imino-1-propenyl-1-(4-c arbethoxyphenyl)amine	5473044	NSC723528; CHEMBL1964678; NSC-723528; 1-(2-naphthyl)-3-(4-carbethoxyphenyl)imino-1-propenyl-1-(4-c arbethoxyphenyl)amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723528	.	.	.	.	529	C31H29ClN2O4	77	793	.	38	2	6	11	"InChI=1S/C31H28N2O4.ClH/c1-3-36-30(34)23-11-15-27(16-12-23)32-20-19-29(26-10-9-22-7-5-6-8-25(22)21-26)33-28-17-13-24(14-18-28)31(35)37-4-2;/h5-21,33H,3-4H2,1-2H3;1H/b29-19-,32-20 ;"	CCOC(=O)C1=CC=C(C=C1)N/C(=C\\C=NC2=CC=C(C=C2)C(=O)OCC)/C3=CC4=CC=CC=C4C=C3.Cl	CIKQDGRNVAFCSR-NFBXXFPWSA-N
DG63068	1-(2-Naphthyl)-3-iminophenyl-1-propenyl-1-phenylamino hydrochloride	5473046	NSC723529; CHEMBL2005227; NSC-723529; 1-(2-naphthyl)-3-iminophenyl-1-propenyl-1-phenylamino hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723529	.	.	.	.	384.9	C25H21ClN2	24.4	497	.	28	2	2	5	"InChI=1S/C25H20N2.ClH/c1-3-11-23(12-4-1)26-18-17-25(27-24-13-5-2-6-14-24)22-16-15-20-9-7-8-10-21(20)19-22;/h1-19,27H;1H/b25-17-,26-18 ;"	C1=CC=C(C=C1)N/C(=C\\C=NC2=CC=CC=C2)/C3=CC4=CC=CC=C4C=C3.Cl	XOOXEZBTDAAAQY-UWXCJXMQSA-N
DG63069	"Resveratrol-3,5-diacetate"	5473049	"Resveratrol-3,5-diacetate; 411233-14-2; NSC723531; 3,5-Di-O-acetylresveratrol; CHEMBL611981; DTXSID50873867; 3,5-Diacetoxy-4'-hydroxystilbene; [3-acetyloxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl] acetate; (E)-3',5'-Diacetoxystilbene-4-ol; NSC-723531; AM20210009; [3-acetoxy-5-[(E)-2-(4-hydroxyphenyl)vinyl]phenyl] acetate; 1,3-Benzenediol,5-[(1E)-2-(4-hydroxyphenyl)ethenyl]-,1,3-diacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723531	.	.	.	.	312.3	C18H16O5	72.8	413	3.3	23	1	5	6	"InChI=1S/C18H16O5/c1-12(19)22-17-9-15(10-18(11-17)23-13(2)20)4-3-14-5-7-16(21)8-6-14/h3-11,21H,1-2H3/b4-3+"	CC(=O)OC1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)O)OC(=O)C	YBTSXNIAKDYGPK-ONEGZZNKSA-N
DG63070	"3-Methoxy-4',5-dihydroxy-trans-stilbene"	5473050	"Pinostilbene; 42438-89-1; 3-methoxy-4',5-dihydroxy-trans-stilbene; Pinostilbene hydrate; 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol; CHEBI:63672; resveratrol monomethyl ether; CHEMBL498917; (e)-3-(4-hydroxystyryl)-5-methoxyphenol; 3,4'-Dihydroxy-5-methoxy-trans-stilbene hydrate; 3-methoxyresveratrol; NSC723532; trans-Pinostilbene hydrate; SCHEMBL562335; SCHEMBL562336; DTXSID50420234; BCP18618; HY-N3059; ZINC6483567; (E)-5-Methoxystilbene-3,4'-diol; BDBM50252422; MFCD12407153; MFCD20527315; AKOS015915100; AC-7026; NSC-723532; trans-3,4'-dihydroxy-5-methoxystilbene; 3,4'-Dihydroxy-5-methoxy-trans-stilbene; AS-56412; CS-0023117; P1927; W2085; C20154; A825900; 3-[(E)-2-(4-hydroxyphenyl)vinyl]-5-methoxy-phenol; Q18388690; 3-[2-(4-hydroxyphenyl)vinyl]-5-methoxy-phenol;Pinostilbene; 3-[(1E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol hydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723532	.	.	.	.	242.27	C15H14O3	49.7	269	3.5	18	2	3	3	"InChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+"	COC1=CC(=CC(=C1)O)/C=C/C2=CC=C(C=C2)O	KUWZXOMQXYWKBS-NSCUHMNNSA-N
DG63071	"Phenol, 3-methoxy-5-[(1E)-2-(4-methoxyphenyl)ethenyl]-"	5473051	"3-hydroxy-4',5-dimethoxystilbene; 58436-29-6; Phenol, 3-methoxy-5-[(1E)-2-(4-methoxyphenyl)ethenyl]-; NSC723533; 3,4'-dimethoxyresveratrol; 3,4'-Dimethoxystilbene-5-ol; CHEMBL465542; SCHEMBL2516446; HY-N8994; ZINC6484162; (E)-3,4'-Dimethoxystilbene-5-ol; MCULE-1000859737; NSC-723533; 3-hydroxy-5,4'-dimethoxy-trans-stilbene; CS-0149502; 3-methoxy-5-[(E)-2-(4-methoxyphenyl)vinyl]phenol; NCGC00385939-01!3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723533	.	.	.	.	256.3	C16H16O3	38.7	282	3.8	19	1	3	4	"InChI=1S/C16H16O3/c1-18-15-7-5-12(6-8-15)3-4-13-9-14(17)11-16(10-13)19-2/h3-11,17H,1-2H3/b4-3+"	COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)OC)O	ULMJJZHWFJYIMM-ONEGZZNKSA-N
DG63072	(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-1-methylindol-2-one	5473064	NSC723554; CHEMBL1967029; NSC-723554	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723554	.	.	.	.	368.8	C20H17ClN2O3	65.6	598	4.1	26	2	3	2	"InChI=1S/C20H17ClN2O3/c1-10-6-16-12(9-18(10)26-3)14(19(21)22-16)8-15-13-7-11(24)4-5-17(13)23(2)20(15)25/h4-9,22,24H,1-3H3/b15-8+"	CC1=CC2=C(C=C1OC)C(=C(N2)Cl)/C=C/3\\C4=C(C=CC(=C4)O)N(C3=O)C	GDHDTCVRELNOPC-OVCLIPMQSA-N
DG63073	(3E)-5-chloro-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one	5473068	NSC723557; CHEMBL2002276; NSC-723557	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723557	.	.	.	.	373.2	C19H14Cl2N2O2	54.1	570	4.9	25	2	2	2	"InChI=1S/C19H14Cl2N2O2/c1-9-5-16-12(8-17(9)25-2)13(18(21)22-16)7-14-11-6-10(20)3-4-15(11)23-19(14)24/h3-8,22H,1-2H3,(H,23,24)/b14-7+"	CC1=CC2=C(C=C1OC)C(=C(N2)Cl)/C=C/3\\C4=C(C=CC(=C4)Cl)NC3=O	IHDRBUNCSBKAIX-VGOFMYFVSA-N
DG63074	(3E)-4-chloro-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one	5473069	NSC723558; CHEMBL1976687; NSC-723558	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723558	.	.	.	.	373.2	C19H14Cl2N2O2	54.1	570	4.9	25	2	2	2	"InChI=1S/C19H14Cl2N2O2/c1-9-6-15-10(8-16(9)25-2)11(18(21)22-15)7-12-17-13(20)4-3-5-14(17)23-19(12)24/h3-8,22H,1-2H3,(H,23,24)/b12-7+"	CC1=CC2=C(C=C1OC)C(=C(N2)Cl)/C=C/3\\C4=C(C=CC=C4Cl)NC3=O	SYGPBMZOSVBCHF-KPKJPENVSA-N
DG63075	(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-1H-indol-2-one	5473070	NSC723559; CHEMBL1975303; NSC-723559	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723559	.	.	.	.	354.8	C19H15ClN2O3	74.4	569	4	25	3	3	2	"InChI=1S/C19H15ClN2O3/c1-9-5-16-12(8-17(9)25-2)13(18(20)21-16)7-14-11-6-10(23)3-4-15(11)22-19(14)24/h3-8,21,23H,1-2H3,(H,22,24)/b14-7+"	CC1=CC2=C(C=C1OC)C(=C(N2)Cl)/C=C/3\\C4=C(C=CC(=C4)O)NC3=O	UIWDYTKMXZAVAX-VGOFMYFVSA-N
DG63076	(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-6-methyl-1H-indol-2-one	5473071	NSC723560; CHEMBL2004219; NSC-723560	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723560	.	.	.	.	368.8	C20H17ClN2O3	74.4	598	4.3	26	3	3	2	"InChI=1S/C20H17ClN2O3/c1-9-4-16-11(7-17(9)24)14(20(25)23-16)6-13-12-8-18(26-3)10(2)5-15(12)22-19(13)21/h4-8,22,24H,1-3H3,(H,23,25)/b14-6+"	CC1=CC2=C(C=C1O)/C(=C\\C3=C(NC4=C3C=C(C(=C4)C)OC)Cl)/C(=O)N2	JLYILVOUFBTGIX-MKMNVTDBSA-N
DG63077	(3E)-3-[(1-benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-1H-indol-2-one	5473072	NSC723561; NSC-723561	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723561	.	.	.	.	428.9	C26H21ClN2O2	43.3	691	5.9	31	1	2	4	"InChI=1S/C26H21ClN2O2/c1-16-12-23-19(14-24(16)31-2)20(25(27)29(23)15-17-8-4-3-5-9-17)13-21-18-10-6-7-11-22(18)28-26(21)30/h3-14H,15H2,1-2H3,(H,28,30)/b21-13+"	CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=CC=C3)Cl)/C=C/4\\C5=CC=CC=C5NC4=O	CEKFWNXLKQEULR-FYJGNVAPSA-N
DG63078	(3E)-3-[(1-benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-5-hydroxy-1H-indol-2-one	5473075	NSC723564; CHEMBL1989018; NSC-723564	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723564	.	.	.	.	444.9	C26H21ClN2O3	63.5	724	5.5	32	2	3	4	"InChI=1S/C26H21ClN2O3/c1-15-10-23-19(13-24(15)32-2)20(25(27)29(23)14-16-6-4-3-5-7-16)12-21-18-11-17(30)8-9-22(18)28-26(21)31/h3-13,30H,14H2,1-2H3,(H,28,31)/b21-12+"	CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=CC=C3)Cl)/C=C/4\\C5=C(C=CC(=C5)O)NC4=O	LPUJTOYQSOYHKI-CIAFOILYSA-N
DG63079	(3E)-3-[(1-benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-4-chloro-1H-indol-2-one	5473076	NSC723565; NSC-723565	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723565	.	.	.	.	463.4	C26H20Cl2N2O2	43.3	725	6.5	32	1	2	4	"InChI=1S/C26H20Cl2N2O2/c1-15-11-22-17(13-23(15)32-2)18(25(28)30(22)14-16-7-4-3-5-8-16)12-19-24-20(27)9-6-10-21(24)29-26(19)31/h3-13H,14H2,1-2H3,(H,29,31)/b19-12+"	CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=CC=C3)Cl)/C=C/4\\C5=C(C=CC=C5Cl)NC4=O	WAOSQEDNPDCNCJ-XDHOZWIPSA-N
DG63080	(3E)-3-[[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-1H-indol-2-one	5473079	NSC723568; CHEMBL1964298; NSC-723568	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723568	.	.	.	.	463.4	C26H20Cl2N2O2	43.3	723	6.5	32	1	2	4	"InChI=1S/C26H20Cl2N2O2/c1-15-11-23-19(13-24(15)32-2)20(12-21-18-5-3-4-6-22(18)29-26(21)31)25(28)30(23)14-16-7-9-17(27)10-8-16/h3-13H,14H2,1-2H3,(H,29,31)/b21-12+"	CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=C(C=C3)Cl)Cl)/C=C/4\\C5=CC=CC=C5NC4=O	UUFFPJHNKGPYKR-CIAFOILYSA-N
DG63081	(3E)-3-[[2-chloro-5-methoxy-1-[(4-methoxyphenyl)methyl]-6-methylindol-3-yl]methylidene]-1H-indol-2-one	5473081	NSC723570; NSC-723570	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723570	.	.	.	.	458.9	C27H23ClN2O3	52.5	737	5.8	33	1	3	5	"InChI=1S/C27H23ClN2O3/c1-16-12-24-20(14-25(16)33-3)21(13-22-19-6-4-5-7-23(19)29-27(22)31)26(28)30(24)15-17-8-10-18(32-2)11-9-17/h4-14H,15H2,1-3H3,(H,29,31)/b22-13+"	CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=C(C=C3)OC)Cl)/C=C/4\\C5=CC=CC=C5NC4=O	PBYUTVKJIHUECR-LPYMAVHISA-N
DG63082	"6-Amino-2-thioxo trimethylene[c]thiopyrano[2,3-d]pyrimidine"	5473085	"NSC723637; NSC-723637; 6-Amino-2-thioxo trimethylene[c]thiopyrano[2,3-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723637	.	.	.	.	235.3	C10H9N3S2	109	340	1.7	15	1	5	0	"InChI=1S/C10H9N3S2/c11-8-7-5-2-1-3-6(5)10(14)15-9(7)13-4-12-8/h4H,1-3H2,(H2,11,12,13)"	C1CC2=C(C1)C(=S)SC3=NC=NC(=C23)N	XFXSHDSPYNDXPQ-UHFFFAOYSA-N
DG63083	2-(3-Chloro-3-p-tolyl-allylidene)-malonitrile	5473088	NSC723645; CHEMBL1972449; SCHEMBL23285684; ZINC2556208; AKOS024359804; NSC-723645; 2-(3-Chloro-3-p-tolyl-allylidene)-malonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723645	.	.	.	.	228.67	C13H9ClN2	47.6	376	3.4	16	0	2	2	"InChI=1S/C13H9ClN2/c1-10-2-5-12(6-3-10)13(14)7-4-11(8-15)9-16/h2-7H,1H3/b13-7-"	CC1=CC=C(C=C1)/C(=C/C=C(C#N)C#N)/Cl	MTQCJPNCSBYEMH-QPEQYQDCSA-N
DG63084	"2-[3-(2,5-Dichloro-phenylsulfanyl)-3-p-tolyl-allylidene]-mal ononitrile"	5473090	"NSC723647; CHEMBL1990466; ZINC2573051; AKOS024362970; NSC-723647; 2-[3-(2,5-Dichloro-phenylsulfanyl)-3-p-tolyl-allylidene]-mal ononitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723647	.	.	.	.	371.3	C19H12Cl2N2S	72.9	569	6.1	24	0	3	4	"InChI=1S/C19H12Cl2N2S/c1-13-2-5-15(6-3-13)18(9-4-14(11-22)12-23)24-19-10-16(20)7-8-17(19)21/h2-10H,1H3/b18-9-"	CC1=CC=C(C=C1)/C(=C/C=C(C#N)C#N)/SC2=C(C=CC(=C2)Cl)Cl	DVALOXOFGMNUCR-NVMNQCDNSA-N
DG63085	"2-[3-(4-Chloro-phenyl)-3-(2,5,6-tetrachloro-pyridin-4-ylsu lfanyl)-allylidene]-malononitrile"	5473091	"NSC723648; CHEMBL1977055; ZINC2573052; AKOS024362972; NSC-723648; 2-[3-(4-Chloro-phenyl)-3-(2,5,6-tetrachloro-pyridin-4-ylsu lfanyl)-allylidene]-malononitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723648	.	.	.	.	461.6	C17H6Cl5N3S	85.8	624	7.2	26	0	4	4	InChI=1S/C17H6Cl5N3S/c18-11-4-2-10(3-5-11)12(6-1-9(7-23)8-24)26-15-13(19)16(21)25-17(22)14(15)20/h1-6H/b12-6-	C1=CC(=CC=C1/C(=C/C=C(C#N)C#N)/SC2=C(C(=NC(=C2Cl)Cl)Cl)Cl)Cl	TYZHBWNPQLKSTI-SDQBBNPISA-N
DG63086	1-[(3-Oxohex-1-enyl)thio]hex-1-en-3-one	5473096	1-[(3-oxohex-1-enyl)thio]hex-1-en-3-one; NSC723654; CHEMBL1988815; ZINC2557629; AKOS024351119; NSC-723654; 1-(3-Oxo-hex-1-enylsulfanyl)-hex-1-en-3-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723654	.	.	.	.	226.34	C12H18O2S	59.4	228	2.2	15	0	3	8	"InChI=1S/C12H18O2S/c1-3-5-11(13)7-9-15-10-8-12(14)6-4-2/h7-10H,3-6H2,1-2H3/b9-7+,10-8+"	CCCC(=O)/C=C/S/C=C/C(=O)CCC	CDTBVBQRVUJCFF-FIFLTTCUSA-N
DG63087	4-Methyl-1-(4-methyl-3-oxo-pent-1-enylsulfanyl)-pent-1-en-3-one	5473097	NSC723655; CHEMBL2005184; ZINC2557630; AKOS024351120; NSC-723655; 4-Methyl-1-(4-methyl-3-oxo-pent-1-enylsulfanyl)-pent-1-en-3- one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723655	.	.	.	.	226.34	C12H18O2S	59.4	247	2.6	15	0	3	6	"InChI=1S/C12H18O2S/c1-9(2)11(13)5-7-15-8-6-12(14)10(3)4/h5-10H,1-4H3/b7-5+,8-6+"	CC(C(=O)/C=C/S/C=C/C(=O)C(C)C)C	ONAUZVDOKWEALW-KQQUZDAGSA-N
DG63088	NSC723891	5473107	"ethyl (11E)-14,17-diacetyloxy-11-methyl-10-(4-methylphenyl)-2,9-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,11,13,15-heptaene-12-carboxylate; NSC723891; CHEMBL1997152; NSC-723891"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723891	.	.	.	.	541.5	C31H27NO8	116	1040	4.7	40	0	8	8	"InChI=1S/C31H27NO8/c1-6-38-31(37)26-18(3)32(21-13-11-17(2)12-14-21)30(36)23-10-8-7-9-22(23)29(35)28-25(40-20(5)34)16-15-24(27(26)28)39-19(4)33/h7-16H,6H2,1-5H3/b26-18+"	CCOC(=O)/C/1=C(/N(C(=O)C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)OC(=O)C)OC(=O)C)C4=CC=C(C=C4)C)\\C	PPTHKMQBOAHQSW-NLRVBDNBSA-N
DG63089	"2-[(Z)-6-(2-methoxyphenyl)hex-3-en-1,5-diynyl]benzonitrile"	5473138	NSC724258; CHEMBL1971637; NSC-724258	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724258	.	.	.	.	283.3	C20H13NO	33	567	4.7	22	0	2	3	"InChI=1S/C20H13NO/c1-22-20-15-9-8-13-18(20)12-5-3-2-4-10-17-11-6-7-14-19(17)16-21/h2-3,6-9,11,13-15H,1H3/b3-2-"	COC1=CC=CC=C1C#C/C=C\\C#CC2=CC=CC=C2C#N	RAZCVFMGVQSDGL-IHWYPQMZSA-N
DG63090	"2-[(Z)-6-pyridin-2-ylhex-3-en-1,5-diynyl]benzonitrile"	5473139	NSC724259; CHEMBL1991659; NSC-724259	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724259	.	.	.	.	254.3	C18H10N2	36.7	522	3.7	20	0	2	2	"InChI=1S/C18H10N2/c19-15-17-11-6-5-10-16(17)9-3-1-2-4-12-18-13-7-8-14-20-18/h1-2,5-8,10-11,13-14H/b2-1-"	C1=CC=C(C(=C1)C#C/C=C\\C#CC2=CC=CC=N2)C#N	XONMYKWSZBFFNT-UPHRSURJSA-N
DG63091	(3Z)-5-methoxy-6-methyl-3-(pyridin-4-ylmethylidene)-1H-indol-2-one	5473149	NSC724276; CHEMBL1970184; NSC-724276	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724276	.	.	.	.	266.29	C16H14N2O2	51.2	401	2.2	20	1	3	2	"InChI=1S/C16H14N2O2/c1-10-7-14-12(9-15(10)20-2)13(16(19)18-14)8-11-3-5-17-6-4-11/h3-9H,1-2H3,(H,18,19)/b13-8-"	CC1=CC2=C(C=C1OC)/C(=C/C3=CC=NC=C3)/C(=O)N2	XVJODMGGMORWQA-JYRVWZFOSA-N
DG63092	2-[3-(4-Chloro-phenyl)-3-(1-methyl-1H-imidazol-2-ylsulfanyl)-allylidene]-malonitrile	5473150	NSC724277; CHEMBL1989428; ZINC12366782; AKOS024362974; NSC-724277; 2-[3-(4-Chloro-phenyl)-3-(1-methyl-1H-imidazol-2-ylsulfanyl) -allylidene]-malonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724277	.	.	.	.	326.8	C16H11ClN4S	90.7	527	3.6	22	0	4	4	"InChI=1S/C16H11ClN4S/c1-21-9-8-20-16(21)22-15(7-2-12(10-18)11-19)13-3-5-14(17)6-4-13/h2-9H,1H3/b15-7-"	CN1C=CN=C1S/C(=C\\C=C(C#N)C#N)/C2=CC=C(C=C2)Cl	GFKVMAYZHSCZEZ-CHHVJCJISA-N
DG63093	"(4Z)-4-[(4-fluorophenyl)methylidene]-2,3-dihydrobenzo[i][1]benzoxepin-5-one"	5473168	NSC724319; CHEMBL1970754; NSC-724319	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724319	.	.	.	.	318.3	C21H15FO2	26.3	492	5.1	24	0	3	1	"InChI=1S/C21H15FO2/c22-17-8-5-14(6-9-17)13-16-11-12-24-21-18-4-2-1-3-15(18)7-10-19(21)20(16)23/h1-10,13H,11-12H2/b16-13-"	C\\1COC2=C(C=CC3=CC=CC=C32)C(=O)/C1=C\\C4=CC=C(C=C4)F	KHRCDZMUZADODR-SSZFMOIBSA-N
DG63094	Thiopyrimidine-F	5473171	Thiopyrimidine-F; NSC724331; CHEMBL1974342; NSC-724331	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724331	.	.	.	.	376.4	C22H17FN2OS	65.4	615	4.2	27	2	3	1	"InChI=1S/C22H17FN2OS/c23-15-8-5-14(6-9-15)19-17-11-12-26-21-16-4-2-1-3-13(16)7-10-18(21)20(17)25-22(27)24-19/h1-10,19H,11-12H2,(H2,24,25,27)"	C1COC2=C(C=CC3=CC=CC=C32)C4=C1C(NC(=S)N4)C5=CC=C(C=C5)F	SKCXHVCDOIFYSQ-UHFFFAOYSA-N
DG63095	Thiopyrimidine-OCH3	5473172	NSC724332; Thiopyrimidine-OCH3; NSC-724332	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724332	.	.	.	.	388.5	C23H20N2O2S	74.6	628	4.1	28	2	3	2	"InChI=1S/C23H20N2O2S/c1-26-16-9-6-15(7-10-16)20-18-12-13-27-22-17-5-3-2-4-14(17)8-11-19(22)21(18)25-23(28)24-20/h2-11,20H,12-13H2,1H3,(H2,24,25,28)"	COC1=CC=C(C=C1)C2C3=C(C4=C(C5=CC=CC=C5C=C4)OCC3)NC(=S)N2	ORSDAEKWFCLRBK-UHFFFAOYSA-N
DG63096	Thiopyrimidine-Cl	5473173	Thiopyrimidine-Cl; NSC724333; NSC-724333	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724333	.	.	.	.	392.9	C22H17ClN2OS	65.4	615	4.7	27	2	2	1	"InChI=1S/C22H17ClN2OS/c23-15-8-5-14(6-9-15)19-17-11-12-26-21-16-4-2-1-3-13(16)7-10-18(21)20(17)25-22(27)24-19/h1-10,19H,11-12H2,(H2,24,25,27)"	C1COC2=C(C=CC3=CC=CC=C32)C4=C1C(NC(=S)N4)C5=CC=C(C=C5)Cl	KMBDYTZDSAVFMG-UHFFFAOYSA-N
DG63097	"5-[(6-Chloroimidazo[2,1-b]thiazol-5-yl)methylene]thiazolidine-2,4-dione"	5473183	"NSC724358; AKOS005145139; NSC-724358; 5-[(6-Chloroimidazo[2,1-b]thiazol-5-yl)methylene]thiazolidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724358	.	.	.	.	285.7	C9H4ClN3O2S2	117	417	3.1	17	1	5	1	"InChI=1S/C9H4ClN3O2S2/c10-6-4(13-1-2-16-8(13)11-6)3-5-7(14)12-9(15)17-5/h1-3H,(H,12,14,15)/b5-3-"	C1=CSC2=NC(=C(N21)/C=C\\3/C(=O)NC(=O)S3)Cl	QQAUYTVDPPGSCV-HYXAFXHYSA-N
DG63098	8-Hydroxy-3-phenylisocoumarin	5473194	74794-53-9; NSC724384; 8-hydroxy-3-phenylisocoumarin; CHEMBL3940927; DTXSID10420235; NSC-724384; 3-Phenyl-8-hydroxy-1H-2-benzopyran-1-one; 8-Hydroxy-3-phenyl-1H-2-benzopyran-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724384	.	.	.	.	238.24	C15H10O3	46.5	355	3.7	18	1	3	1	"InChI=1S/C15H10O3/c16-12-8-4-7-11-9-13(18-15(17)14(11)12)10-5-2-1-3-6-10/h1-9,16H"	C1=CC=C(C=C1)C2=CC3=C(C(=CC=C3)O)C(=O)O2	WDSXRDGRRIEXIA-UHFFFAOYSA-N
DG63099	"3-(3,4-Dihydroxyphenyl)-8-methoxy-4-methylisocoumarin"	5473195	"NSC724391; CHEMBL1988773; NSC-724391; 3-(3,4-dihydroxyphenyl)-8-methoxy-4-methylisocoumarin; 3-(3,4-Dihydroxyphenyl)-4-methyl-8-hydroxy-1H-2-benzopyran-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724391	.	.	.	.	284.26	C16H12O5	87	458	2.9	21	3	5	1	"InChI=1S/C16H12O5/c1-8-10-3-2-4-12(18)14(10)16(20)21-15(8)9-5-6-11(17)13(19)7-9/h2-7,17-19H,1H3"	CC1=C(OC(=O)C2=C1C=CC=C2O)C3=CC(=C(C=C3)O)O	HESCUSKDPWWOKE-UHFFFAOYSA-N
DG63100	(3E)-5-methoxy-3-(pyridin-3-ylmethylidene)-1H-indol-2-one	5473198	NSC724429; NSC-724429	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724429	.	.	.	.	252.27	C15H12N2O2	51.2	380	1.8	19	1	3	2	"InChI=1S/C15H12N2O2/c1-19-11-4-5-14-12(8-11)13(15(18)17-14)7-10-3-2-6-16-9-10/h2-9H,1H3,(H,17,18)/b13-7+"	COC1=CC\\2=C(C=C1)NC(=O)/C2=C/C3=CN=CC=C3	NFNBEERTMYKIFV-NTUHNPAUSA-N
DG63101	(3E)-5-methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one	5473201	NSC724432; NSC-724432	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724432	.	.	.	.	266.29	C16H14N2O2	51.2	407	2.2	20	1	3	2	"InChI=1S/C16H14N2O2/c1-10-7-14-12(9-15(10)20-2)13(16(19)18-14)8-11-5-3-4-6-17-11/h3-9H,1-2H3,(H,18,19)/b13-8+"	CC1=CC2=C(C=C1OC)/C(=C\\C3=CC=CC=N3)/C(=O)N2	CEARWSYVVFRUEQ-MDWZMJQESA-N
DG63102	(3E)-4-chloro-3-(pyridin-3-ylmethylidene)-1H-indol-2-one	5473204	NSC724435; CHEMBL1997151; NSC-724435	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724435	.	.	.	.	256.68	C14H9ClN2O	42	369	2.5	18	1	2	1	"InChI=1S/C14H9ClN2O/c15-11-4-1-5-12-13(11)10(14(18)17-12)7-9-3-2-6-16-8-9/h1-8H,(H,17,18)/b10-7+"	C1=CC2=C(C(=C1)Cl)/C(=C\\C3=CN=CC=C3)/C(=O)N2	LPKZBXNKZNSIQO-JXMROGBWSA-N
DG63103	(3E)-3-[1-[6-[(1E)-1-(2-oxo-1H-indol-3-ylidene)ethyl]pyridin-2-yl]ethylidene]-1H-indol-2-one	5473213	NSC724447; NSC-724447	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724447	.	.	.	.	393.4	C25H19N3O2	71.1	734	4.1	30	2	3	2	"InChI=1S/C25H19N3O2/c1-14(22-16-8-3-5-10-20(16)27-24(22)29)18-12-7-13-19(26-18)15(2)23-17-9-4-6-11-21(17)28-25(23)30/h3-13H,1-2H3,(H,27,29)(H,28,30)/b22-14+,23-15+"	C/C(=C\\1/C2=CC=CC=C2NC1=O)/C3=NC(=CC=C3)/C(=C/4\\C5=CC=CC=C5NC4=O)/C	HBRBXOLSBCEMGO-HOFJZWJUSA-N
DG63104	(3E)-3-[[6-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]pyridin-2-yl]methylidene]-1H-indol-2-one	5473214	NSC-724448; NSC724448; CHEMBL516278	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724448	.	.	.	.	365.4	C23H15N3O2	71.1	655	2.9	28	2	3	2	"InChI=1S/C23H15N3O2/c27-22-18(16-8-1-3-10-20(16)25-22)12-14-6-5-7-15(24-14)13-19-17-9-2-4-11-21(17)26-23(19)28/h1-13H,(H,25,27)(H,26,28)/b18-12+,19-13+"	C1=CC=C2C(=C1)/C(=C\\C3=NC(=CC=C3)/C=C/4\\C5=CC=CC=C5NC4=O)/C(=O)N2	PMZOKGKZIAJGIK-KLCVKJMQSA-N
DG63105	"1-{Ethyl 3-methylthieno[2,3-d]pyrimidin-6-thiol-2-carboxylate-4-yl}th iourea"	5473232	"NSC724530; NSC-724530; 1-{Ethyl 3-methylthieno[2,3-d]pyrimidin-6-thiol-2-carboxylate-4-yl}th iourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724530	.	.	.	.	328.4	C11H12N4O2S3	178	607	0.7	20	3	5	4	"InChI=1S/C11H12N4O2S3/c1-3-17-9(16)6-4(2)5-7(13-10(12)18)14-11(19)15-8(5)20-6/h3H2,1-2H3,(H4,12,13,14,15,18,19)"	CCOC(=O)C1=C(C2=C(NC(=S)N=C2S1)NC(=S)N)C	XOPWEUQYYHDBTL-UHFFFAOYSA-N
DG63106	Iejimalide A.	5473233	Iejimalide A.; NSC724579; CHEMBL1979972; NSC-724579	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724579	.	.	.	.	678.9	C40H58N2O7	123	1320	6.8	49	3	7	9	"InChI=1S/C40H58N2O7/c1-29-13-11-17-35(47-7)16-10-9-15-33(5)39(34(6)23-21-32(4)26-41-40(46)37(27-43)42-28-44)49-38(45)24-22-30(2)19-20-31(3)25-36(48-8)18-12-14-29/h9-10,12-16,19-25,28,30,33,35-37,39,43H,11,17-18,26-27H2,1-8H3,(H,41,46)(H,42,44)/b14-12+,15-9+,16-10+,20-19+,24-22+,29-13+,31-25+,32-21+,34-23+/t30 ,33 ,35 ,36 ,37-,39 /m0/s1"	CC\\1/C=C/C(=C/C(C/C=C/C(=C/CCC(/C=C/C=C/C(C(OC(=O)/C=C1)/C(=C/C=C(\\C)/CNC(=O)[C@H](CO)NC=O)/C)C)OC)/C)OC)/C	FAVMTJDTJCBNEZ-OLPGYQLXSA-N
DG63107	Arylmethylene-Br	5473237	Arylmethylene-Br; NSC724613; NSC-724613	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724613	.	.	.	.	644.4	C31H20Br2N2O2S	67.2	1030	8	38	0	4	2	"InChI=1S/C31H20Br2N2O2S/c32-21-10-5-18(6-11-21)17-26-30(36)35-28(20-7-12-22(33)13-8-20)24-15-16-37-29-23-4-2-1-3-19(23)9-14-25(29)27(24)34-31(35)38-26/h1-14,17,28H,15-16H2/b26-17+"	C1COC2=C(C=CC3=CC=CC=C32)C4=C1C(N5C(=O)/C(=C\\C6=CC=C(C=C6)Br)/SC5=N4)C7=CC=C(C=C7)Br	YRMPDSAQBWTFKB-YZSQISJMSA-N
DG63108	thiopyrimidine-CH3	5473238	thiopyrimidine-CH3; NSC724615; NSC-724615	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724615	.	.	.	.	372.5	C23H20N2OS	65.4	610	4.5	27	2	2	1	"InChI=1S/C23H20N2OS/c1-14-6-8-16(9-7-14)20-18-12-13-26-22-17-5-3-2-4-15(17)10-11-19(22)21(18)25-23(27)24-20/h2-11,20H,12-13H2,1H3,(H2,24,25,27)"	CC1=CC=C(C=C1)C2C3=C(C4=C(C5=CC=CC=C5C=C4)OCC3)NC(=S)N2	GSZFQZXSAOKCKF-UHFFFAOYSA-N
DG63109	Arylmethylene thiazolo	5473239	NSC724619; Arylmethylene thiazolo; NSC-724619	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724619	.	.	.	.	579.5	C32H23BrN2O2S	67.2	1020	7.7	38	0	4	2	"InChI=1S/C32H23BrN2O2S/c1-19-6-10-22(11-7-19)29-25-16-17-37-30-24-5-3-2-4-21(24)12-15-26(30)28(25)34-32-35(29)31(36)27(38-32)18-20-8-13-23(33)14-9-20/h2-15,18,29H,16-17H2,1H3/b27-18+"	CC1=CC=C(C=C1)C2C3=C(C4=C(C5=CC=CC=C5C=C4)OCC3)N=C6N2C(=O)/C(=C\\C7=CC=C(C=C7)Br)/S6	JAOFGYIHLRLOEM-OVVQPSECSA-N
DG63110	"(E)-4-[4-[(3-chlorofuro[2,3-b]quinolin-4-yl)amino]phenyl]but-3-en-2-one"	5473262	NSC724686; NSC-724686	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724686	.	.	.	.	362.8	C21H15ClN2O2	55.1	532	5	26	1	4	4	"InChI=1S/C21H15ClN2O2/c1-13(25)6-7-14-8-10-15(11-9-14)23-20-16-4-2-3-5-18(16)24-21-19(20)17(22)12-26-21/h2-12H,1H3,(H,23,24)/b7-6+"	CC(=O)/C=C/C1=CC=C(C=C1)NC2=C3C(=COC3=NC4=CC=CC=C42)Cl	SHSDFIRDJIRNEV-VOTSOKGWSA-N
DG63111	"4-Oxo-5-hydroxy-10-(benzyloxy)-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid ethyl ester"	5473266	"NSC724706; NSC-724706; 4-Oxo-5-hydroxy-10-(benzyloxy)-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724706	.	.	.	.	389.4	C23H19NO5	84.9	641	4.9	29	2	6	6	"InChI=1S/C23H19NO5/c1-2-28-23(27)17-12-24-19-18(21(17)26)20(25)15-10-6-7-11-16(15)22(19)29-13-14-8-4-3-5-9-14/h3-12,25H,2,13H2,1H3,(H,24,26)"	CCOC(=O)C1=CNC2=C(C3=CC=CC=C3C(=C2C1=O)O)OCC4=CC=CC=C4	GPVZWXLMQMIPGZ-UHFFFAOYSA-N
DG63112	"4-Oxo-5-hydroxy-10-(benzyloxy)-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid"	5473267	"NSC724707; NSC-724707; 4-Oxo-5-hydroxy-10-(benzyloxy)-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724707	.	.	.	.	361.3	C21H15NO5	95.9	612	4.2	27	3	6	4	"InChI=1S/C21H15NO5/c23-18-13-8-4-5-9-14(13)20(27-11-12-6-2-1-3-7-12)17-16(18)19(24)15(10-22-17)21(25)26/h1-10,23H,11H2,(H,22,24)(H,25,26)"	C1=CC=C(C=C1)COC2=C3C(=C(C4=CC=CC=C42)O)C(=O)C(=CN3)C(=O)O	CYSNJEHDNBXXPI-UHFFFAOYSA-N
DG63113	"methyl 2-[(2R,5E,13S)-2-hydroxy-2,6,10-trimethyl-11-oxo-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]prop-2-enoate"	5473307	NSC725004; NSC-725004	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725004	.	.	.	.	364.5	C21H32O5	72.8	593	3.1	26	1	5	3	"InChI=1S/C21H32O5/c1-13-8-6-10-14(2)18(22)19-16(15(3)20(23)25-5)12-17(26-19)21(4,24)11-7-9-13/h9,14,16-17,19,24H,3,6-8,10-12H2,1-2,4-5H3/b13-9+/t14 ,16-,17 ,19 ,21+/m0/s1"	CC1CCC/C(=C/CC[C@@](C2C[C@H](C(C1=O)O2)C(=C)C(=O)OC)(C)O)/C	YPPLIGVHRCUXEZ-DHRBKBQKSA-N
DG63114	Thunberginol B	5473310	"Thunberginol B; 147666-81-7; thungerginol B; 3-(3,4-dihydroxyphenyl)-6,8-dihydroxyisochromen-1-one; MLS002473235; SMR001397322; CHEMBL70501; BDBM75772; cid_5473310; DTXSID90163774; HMS2271F05; 3-(3,4-Dihydroxyphenyl)-6,8-dihydroxy-1H-2-benzopyran-1-one; NSC725013; NSC 725013; NSC-725013; NCGC00247501-01; 3-(3,8-dihydroxyisocoumarin (Thunberginol B); 3-(3,4-dihydroxyphenyl)-6,8-dihydroxy-isocoumarin; Q7798879; 3-(3,4-dihydroxyphenyl)-6,8-dihydroxy-2-benzopyran-1-one; 1H-2-Benzopyran-1-one, 3-(3,4-dihydroxyphenyl)-6,8-dihydroxy-; 3-[3,4-bis(oxidanyl)phenyl]-6,8-bis(oxidanyl)isochromen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725013	.	.	.	.	286.24	C15H10O6	107	447	2.7	21	4	6	1	"InChI=1S/C15H10O6/c16-9-3-8-5-13(7-1-2-10(17)11(18)4-7)21-15(20)14(8)12(19)6-9/h1-6,16-19H"	C1=CC(=C(C=C1C2=CC3=CC(=CC(=C3C(=O)O2)O)O)O)O	NHFGEHLUROYMEB-UHFFFAOYSA-N
DG63115	"3-(3,4-Dihydroxyphenyl)-4-methyl-6,8-dihydroxy-1H-2-benzopyran-1-one"	5473311	"NSC725016; NSC-725016; 6,4-dihydroxyphenyl)-4-methylisocoumarin; 3-(3,4-Dihydroxyphenyl)-4-methyl-6,8-dihydroxy-1H-2-benzopyran-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725016	.	.	.	.	300.26	C16H12O6	107	487	2.6	22	4	6	1	"InChI=1S/C16H12O6/c1-7-10-5-9(17)6-13(20)14(10)16(21)22-15(7)8-2-3-11(18)12(19)4-8/h2-6,17-20H,1H3"	CC1=C(OC(=O)C2=C1C=C(C=C2O)O)C3=CC(=C(C=C3)O)O	CQQJUHJOTHJYEV-UHFFFAOYSA-N
DG63116	2-[3-Chloro-3-(4-chloro-phenyl)-allylidene]-malononitrile	5473313	NSC725048; ZINC162459; AKOS024359805; NSC-725048; 2-[3-Chloro-3-(4-chloro-phenyl)-allylidene]-malononitrile; 2-[3-chloro-3-(4-chlorophenyl)prop-2-enylidene]malononitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725048	.	.	.	.	249.09	C12H6Cl2N2	47.6	379	3.7	16	0	2	2	InChI=1S/C12H6Cl2N2/c13-11-4-2-10(3-5-11)12(14)6-1-9(7-15)8-16/h1-6H/b12-6-	C1=CC(=CC=C1/C(=C/C=C(C#N)C#N)/Cl)Cl	OOQYSQNSVIKCAR-SDQBBNPISA-N
DG63117	[3-(4-Chloro-phenyl)-3-p-tolylamino-allylidene]-p-tolylamine	5473315	NSC725051; AKOS024359811; MCULE-5662925971; NSC-725051; [3-(4-Chloro-phenyl)-3-p-tolylamino-allylidene]-p-tolylamine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725051	.	.	.	.	360.9	C23H21ClN2	24.4	463	6.3	26	1	2	5	"InChI=1S/C23H21ClN2/c1-17-3-11-21(12-4-17)25-16-15-23(19-7-9-20(24)10-8-19)26-22-13-5-18(2)6-14-22/h3-16,26H,1-2H3/b23-15-,25-16 "	CC1=CC=C(C=C1)N/C(=C\\C=NC2=CC=C(C=C2)C)/C3=CC=C(C=C3)Cl	WSLDQHWWWHAYOU-QZQGXLDPSA-N
DG63118	2-[3-(Benzothiazol-2-ylsulfanyl)-3-(4-chloro-phenyl)-allylid ene]-malononitrile	5473316	NSC725052; ZINC12339449; AKOS024356329; NSC-725052; 2-[3-(Benzothiazol-2-ylsulfanyl)-3-(4-chloro-phenyl)-allylid ene]-malononitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725052	.	.	.	.	379.9	C19H10ClN3S2	114	616	5.9	25	0	5	4	InChI=1S/C19H10ClN3S2/c20-15-8-6-14(7-9-15)17(10-5-13(11-21)12-22)24-19-23-16-3-1-2-4-18(16)25-19/h1-10H/b17-10-	C1=CC=C2C(=C1)N=C(S2)S/C(=C\\C=C(C#N)C#N)/C3=CC=C(C=C3)Cl	FAZLHXTVIVXNMV-YVLHZVERSA-N
DG63119	"5-Chloro-5-(4-chloro-phenyl)-2-cyano-penta-2,4-dienoic acid ethyl ester"	5473317	"NSC725053; ZINC16682033; AKOS024359806; NSC-725053; AG-401/08741003; ethyl 5-chloro-5-(4-chlorophenyl)-2-cyano-2,4-pentadienoate; 5-Chloro-5-(4-chloro-phenyl)-2-cyano-penta-2,4-dienoic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725053	.	.	.	.	296.1	C14H11Cl2NO2	50.1	426	4.2	19	0	3	5	"InChI=1S/C14H11Cl2NO2/c1-2-19-14(18)11(9-17)5-8-13(16)10-3-6-12(15)7-4-10/h3-8H,2H2,1H3/b11-5-,13-8-"	CCOC(=O)/C(=C\\C=C(\\C1=CC=C(C=C1)Cl)/Cl)/C#N	TYWWSJQBRVLWBB-XVHQLPPBSA-N
DG63120	"1-(2,4-Dichloro-phenyl)-3-[4-(3-trifluoromethyl-phenyl)-pipe razin-1-yl]-propenone"	5473323	"NSC725060; ZINC2388805; AKOS024373568; NSC-725060; 1-(2,4-Dichloro-phenyl)-3-[4-(3-trifluoromethyl-phenyl)-pipe razin-1-yl]-propenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725060	.	.	.	.	429.3	C20H17Cl2F3N2O	23.6	564	5.7	28	0	6	4	"InChI=1S/C20H17Cl2F3N2O/c21-15-4-5-17(18(22)13-15)19(28)6-7-26-8-10-27(11-9-26)16-3-1-2-14(12-16)20(23,24)25/h1-7,12-13H,8-11H2/b7-6+"	C1CN(CCN1/C=C/C(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC(=C3)C(F)(F)F	SLYVPOZHJCOETN-VOTSOKGWSA-N
DG63121	3-Chloro-benzoic acid 3-(4-chloro-phenyl)-3-oxo-propenyl ester	5473325	NSC725062; ZINC2573737; AKOS024370201; NSC-725062; 3-Chloro-benzoic acid 3-(4-chloro-phenyl)-3-oxo-propenyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725062	.	.	.	.	321.2	C16H10Cl2O3	43.4	400	4.5	21	0	3	5	InChI=1S/C16H10Cl2O3/c17-13-6-4-11(5-7-13)15(19)8-9-21-16(20)12-2-1-3-14(18)10-12/h1-10H/b9-8+	C1=CC(=CC(=C1)Cl)C(=O)O/C=C/C(=O)C2=CC=C(C=C2)Cl	IGHNONWIOJLLON-CMDGGOBGSA-N
DG63122	"5-Chloro-5-(4-chloro-phenyl)-2-cyano-penta-2,4-dienoic acid amide"	5473326	"NSC725063; ZINC161744; AKOS024356262; NSC-725063; 5-Chloro-5-(4-chloro-phenyl)-2-cyano-penta-2,4-dienoic acid amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725063	.	.	.	.	267.11	C12H8Cl2N2O	66.9	398	2.8	17	1	2	3	"InChI=1S/C12H8Cl2N2O/c13-10-4-1-8(2-5-10)11(14)6-3-9(7-15)12(16)17/h1-6H,(H2,16,17)/b9-3-,11-6-"	C1=CC(=CC=C1/C(=C/C=C(/C#N)\\C(=O)N)/Cl)Cl	QOQMSTNLZICRRC-MVCJUDCXSA-N
DG63123	"(3E)-5-chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	5473339	NSC725098; CHEMBL435889; NSC-725098	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725098	.	.	.	.	329.8	C16H12ClN3OS	74.6	514	4.3	22	1	3	1	"InChI=1S/C16H12ClN3OS/c1-8-7-20-14(9(2)18-16(20)22-8)6-12-11-5-10(17)3-4-13(11)19-15(12)21/h3-7H,1-2H3,(H,19,21)/b12-6+"	CC1=CN2C(=C(N=C2S1)C)/C=C/3\\C4=C(C=CC(=C4)Cl)NC3=O	IHLARSOVCHZAGF-WUXMJOGZSA-N
DG63124	"(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1-methylindol-2-one"	5473340	NSC725099; CHEMBL189918; NSC-725099	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725099	.	.	.	.	339.4	C18H17N3O2S	75.1	554	3.8	24	0	4	2	"InChI=1S/C18H17N3O2S/c1-10-9-21-16(11(2)19-18(21)24-10)8-14-13-7-12(23-4)5-6-15(13)20(3)17(14)22/h5-9H,1-4H3/b14-8+"	CC1=CN2C(=C(N=C2S1)C)/C=C/3\\C4=C(C=CC(=C4)OC)N(C3=O)C	QTAGQBQWZDQICF-RIYZIHGNSA-N
DG63125	"(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one"	5473341	NSC725100; CHEMBL364486; NSC-725100	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725100	.	.	.	.	311.4	C16H13N3O2S	94.9	512	3.3	22	2	4	1	"InChI=1S/C16H13N3O2S/c1-8-7-19-14(9(2)17-16(19)22-8)6-12-11-5-10(20)3-4-13(11)18-15(12)21/h3-7,20H,1-2H3,(H,18,21)/b12-6+"	CC1=CN2C(=C(N=C2S1)C)/C=C/3\\C4=C(C=CC(=C4)O)NC3=O	CEQJVCWHFSILSW-WUXMJOGZSA-N
DG63126	NSC725202	5473360	"(7Z)-7-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-6-(2,4-dichlorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine; NSC725202; NSC-725202"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725202	.	.	.	.	532.8	C22H12Cl3N5O3S	127	845	6.9	34	0	7	3	"InChI=1S/C22H12Cl3N5O3S/c1-11-26-27-22-29(11)28-21(16-5-2-12(23)8-17(16)24)20(34-22)10-14-4-7-19(33-14)15-6-3-13(30(31)32)9-18(15)25/h2-10H,1H3/b20-10-"	CC1=NN=C2N1N=C(/C(=C/C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)/S2)C5=C(C=C(C=C5)Cl)Cl	YLALJLHSAJOZBK-JMIUGGIZSA-N
DG63127	S-Dichlorovinyl-L-cysteine	5473611	"DCVC; S-Dichlorovinyl-L-cysteine; S-(1,2-Dichlorovinyl)-L-cysteine; Dichlorovinyl-Cysteine; WLN: QVYZ1SYGU1G -L; L-Cysteine,2-dichloroethenyl)-; CHEMBL1697700; SCHEMBL10598961; SCHEMBL10598971; NSC15830; Alanine,2-dichlorovinyl)thio]-, L-; NSC-15830; (2R)-2-Amino-3-(1,2-dichloroethenylsulfanyl)propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15830	.	.	.	.	216.08	C5H7Cl2NO2S	88.6	174	-1.1	11	2	4	4	"InChI=1S/C5H7Cl2NO2S/c6-1-4(7)11-2-3(8)5(9)10/h1,3H,2,8H2,(H,9,10)/b4-1+"	C(C(C(=O)O)N)S/C(=C/Cl)/Cl	PJIHCWJOTSJIPQ-DAFODLJHSA-N
DG63128	NSC80948	5474670	"(E)-3-[4-[(E)-3-oxo-3-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]prop-1-enyl]phenyl]-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]prop-2-enamide; NSC80948; ZINC104051067; (E)-3-[4-[(E)-3-oxo-3-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]prop-1-enyl]phenyl]-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]prop-2-enamide; p-Benzenediacrylanilide, 3',3''-bis(1,4,5, 6-tetrahydro-2-pyrimidinyl)-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80948	.	.	.	.	532.6	C32H32N6O2	107	902	3.1	40	4	4	8	"InChI=1S/C32H32N6O2/c39-29(37-27-7-1-5-25(21-27)31-33-17-3-18-34-31)15-13-23-9-11-24(12-10-23)14-16-30(40)38-28-8-2-6-26(22-28)32-35-19-4-20-36-32/h1-2,5-16,21-22H,3-4,17-20H2,(H,33,34)(H,35,36)(H,37,39)(H,38,40)/b15-13+,16-14+"	C1CN=C(NC1)C2=CC(=CC=C2)NC(=O)/C=C/C3=CC=C(C=C3)/C=C/C(=O)NC4=CC=CC(=C4)C5=NCCCN5	BHHOFYJIOVSJNU-WXUKJITCSA-N
DG63129	"5-(4-Chlorophenyl)-6-(-2-(4-nitrophenyl)ethenyl)-2,4-pyrimidinediamine"	5474909	"NSC104133; 17005-30-0; 5-(4-Chlorophenyl)-6-(-2-(4-nitrophenyl)ethenyl)-2,4-pyrimidinediamine; 5-(4-Chlorophenyl)-6-[-2-(4-nitrophenyl)ethenyl]-2,4-pyrimidinediamine; NSC 104133; DTXSID00168790; ZINC4877162; NSC-104133; 5-(4-chlorophenyl)-6-[(E)-2-(4-nitrophenyl)vinyl]pyrimidine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	104133	.	.	.	.	367.8	C18H14ClN5O2	124	498	4	26	2	6	3	"InChI=1S/C18H14ClN5O2/c19-13-6-4-12(5-7-13)16-15(22-18(21)23-17(16)20)10-3-11-1-8-14(9-2-11)24(25)26/h1-10H,(H4,20,21,22,23)/b10-3+"	C1=CC(=CC=C1/C=C/C2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl)[N+](=O)[O-]	VOCVPDMLBGGHDW-XCVCLJGOSA-N
DG63130	Dianemycin	5475287	"Dianemycin; MLS002702009; 35865-33-9; NSC138320; (E)-8-[7-hydroxy-2-[2-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-9-(5-methoxy-6-methyloxan-2-yl)oxy-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid; 19-epi-dianemycin; NSC 138320; BRN 1676784; CHEMBL1723966; NSC-138320; CP 60993; CP-60993; SMR001565584; CP-60,993; (6E)-8-(9-Hydroxy-2-{2-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethylperhydro-2H-pyran-2-yl]-9-(5-methoxy-6-methylperhydro-2H-pyran-2-yloxy)-4,10-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl}-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl)-2,4,6-trimethyl-5-oxonon-6-enoic acid; (E)-8-[7-hydroxy-3-[3-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-tetrahydropyran-2-yl]-7-(5-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxo-non-6-enoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	138320	.	.	.	.	867.1	C47H78O14	189	1570	5.8	61	4	14	13	"InChI=1S/C47H78O14/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-31(8)34(49)22-45(59-41)16-15-44(11,61-45)38-21-36(56-39-14-13-35(54-12)33(10)55-39)32(9)47(58-38)30(7)20-37(57-47)42-27(4)19-29(6)46(53,23-48)60-42/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52)/b24-17+"	CC1CC(C(OC1C2CC(C3(O2)C(C(CC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)/C=C(\\C)/C(=O)C(C)CC(C)C(=O)O)C)O)C)OC6CCC(C(O6)C)OC)C)C)(CO)O)C	FELYAZAWTURXNF-JJIBRWJFSA-N
DG63131	"(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one"	5476828	NSC267589; CHEMBL1998675; ZINC4772523; NSC-267589	.	.	Investigative Drug(s)	Investigative	Small molecular drug	267589	.	.	.	.	321.3	C16H10F3NOS	54.4	463	4.4	22	1	5	1	"InChI=1S/C16H10F3NOS/c17-16(18,19)11-5-3-4-10(8-11)9-14-15(21)20-12-6-1-2-7-13(12)22-14/h1-9H,(H,20,21)/b14-9-"	C1=CC=C2C(=C1)NC(=O)/C(=C/C3=CC(=CC=C3)C(F)(F)F)/S2	CPGYZWDTGDRKHK-ZROIWOOFSA-N
DG63132	"(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one"	5476834	NSC268222; CHEMBL1987433; ZINC216722; AKOS002124732; NSC-268222	.	.	Investigative Drug(s)	Investigative	Small molecular drug	268222	.	.	.	.	321.3	C16H10F3NOS	54.4	455	4.4	22	1	5	1	"InChI=1S/C16H10F3NOS/c17-16(18,19)11-7-5-10(6-8-11)9-14-15(21)20-12-3-1-2-4-13(12)22-14/h1-9H,(H,20,21)/b14-9-"	C1=CC=C2C(=C1)NC(=O)/C(=C/C3=CC=C(C=C3)C(F)(F)F)/S2	JFGGNGQMHJXPBU-ZROIWOOFSA-N
DG63133	"(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one"	5476890	NSC271278; CHEMBL1970782; ZINC1561013; NSC-271278	.	.	Investigative Drug(s)	Investigative	Small molecular drug	271278	.	.	.	.	321.3	C16H10F3NOS	54.4	463	4.4	22	1	5	1	"InChI=1S/C16H10F3NOS/c17-16(18,19)11-6-2-1-5-10(11)9-14-15(21)20-12-7-3-4-8-13(12)22-14/h1-9H,(H,20,21)/b14-9-"	C1=CC=C(C(=C1)/C=C\\2/C(=O)NC3=CC=CC=C3S2)C(F)(F)F	MPOYICXOCNFHJL-ZROIWOOFSA-N
DG63134	"2,3-dimethoxy-5-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]sulfanylcyclohexa-2,5-diene-1,4-dione"	5476942	"NSC276371; 68160-37-2; DTXSID40420400; NSC-276371; 2,4-dione, 2,3-dimethoxy-5-[(3,7,11,15-tetramethyl-2-hexadecenyl)thio]-; 2,4-dione, 2,3-dimethoxy-5-[(3,7,11,15-tetramethyl-2-hexadecenyl)thio]-, [R-[R*,R*-(E)]]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	276371	.	.	.	.	478.7	C28H46O4S	77.9	717	9.8	33	0	5	17	"InChI=1S/C28H46O4S/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)17-18-33-25-19-24(29)27(31-6)28(32-7)26(25)30/h17,19-22H,8-16,18H2,1-7H3/b23-17+"	CC(C)CCCC(C)CCCC(C)CCC/C(=C/CSC1=CC(=O)C(=C(C1=O)OC)OC)/C	VLFSNJNJZBREKT-HAVVHWLPSA-N
DG63135	9-Hydroxyparthenolide	5477074	"9-Hydroxyparthenolide; 78146-51-7; NSC290497; (7Z)-9-hydroxy-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one; 9-.beta.-Hydroxyparthenolide; 9-.alpha.-Hydroxyparthenolide; NSC672115; NSC672136; PARTHENOLIDE, 9-HYDROXY; CHEMBL1993813; NSC-290497; 6-Hydroxy-1a,5-dimethyl-8-methylene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan-9(1aH)-one; Oxireno[9,2-b]furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-6-hydroxy-1a,5-dimethyl-8-methylene-, [1aR-(1aR*,4E,6R*,7aS*,10aS*,10bR*)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672115	.	.	.	.	264.32	C15H20O4	59.1	467	1.2	19	1	4	0	"InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12-10(7-11(8)16)9(2)14(17)18-12/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5-"	C/C/1=C/CCC2(C(O2)C3C(CC1O)C(=C)C(=O)O3)C	RZUCCKARTVHQBW-YVMONPNESA-N
DG63136	8-alpha-Hydroxyverrucarin A	5477083	"74516-62-4; 8-Hydroxy verrucarin A; NSC291312; 8-alpha-Hydroxyverrucarin A; 8-.alpha.-Hydroxyverrucarin A; VERRUCARIN A, 8-HYDROXY; 8.ALPHA.-HYDROXYVERRUCARIN A; NSC318142; alpha-Allylic alcohol of Verrucarin A; Verrucarin A, 8-hydroxy-, (8S)-; NSC 318142; NSC-291312; NSC-318142; .alpha.-Allylic alcohol of Verrucarin A; VERRUCARIN A, A-ALLYLIC ALCOHOL OF"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	291312	.	.	.	.	518.6	C27H34O10	141	1060	1.3	37	2	10	0	"InChI=1S/C27H34O10/c1-15-8-9-33-21(29)6-4-5-7-22(30)37-18-11-20-27(14-35-27)25(18,3)26(13-34-24(32)23(15)31)12-17(28)16(2)10-19(26)36-20/h4-7,10,15,17-20,23,28,31H,8-9,11-14H2,1-3H3/b6-4+,7-5+"	CC1CCOC(=O)/C=C/C=C/C(=O)OC2CC3C4(C2(C5(CC(C(=CC5O3)C)O)COC(=O)C1O)C)CO4	KLQXPYFNSWYRBB-YDFGWWAZSA-N
DG63137	Monoacetyl verrucarin A epoxide	5477096	"Monoacetyl verrucarin A epoxide; NSC292463; 2841-82-9; NSC-292463; VERRUCARIN A EPOXIDE, MONOACETYL; Verrucarin A,10-epoxy-9,10-dihydro-; Verrucarin A,10-epoxy-9,10-dihydro-, (9.alpha.,10.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	292463	.	.	.	.	560.6	C29H36O11	140	1180	2.4	40	0	11	2	"InChI=1S/C29H36O11/c1-16-9-12-34-20(31)7-5-6-8-21(32)38-18-13-19-29(15-36-29)27(18,4)28(14-35-25(33)22(16)37-17(2)30)11-10-26(3)23(40-26)24(28)39-19/h5-8,16,18-19,22-24H,9-15H2,1-4H3/b7-5+,8-6+"	CC1CCOC(=O)/C=C/C=C/C(=O)OC2CC3C4(C2(C5(CCC6(C(C5O3)O6)C)COC(=O)C1OC(=O)C)C)CO4	JDFKYDYICWYZMF-KQQUZDAGSA-N
DG63138	NSC299933	5477210	"Octanoic acid,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-yl ester; NSC299933; CHEMBL1967755; NSC-299933; Octanoic acid,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)- 2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9- trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-2-oxo- 4-(1-oxobutoxy)azuleno[4,5-b]furan-7-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	299933	.	.	.	.	648.8	C35H52O11	155	1270	4.7	46	2	11	17	"InChI=1S/C35H52O11/c1-10-13-14-15-16-18-26(38)44-30-28-27(21(5)29(30)42-22(6)20(4)12-3)31-35(41,34(9,40)32(39)45-31)24(43-25(37)17-11-2)19-33(28,8)46-23(7)36/h12,24,28-31,40-41H,6,10-11,13-19H2,1-5,7-9H3/b20-12+"	CCCCCCCC(=O)OC1C2C(=C(C1OC(=C)/C(=C/C)/C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O	WILGDJPLXKHUEY-UDWIEESQSA-N
DG63139	NSC328415	5477541	"2-[6-[(E)-2-[2-[(1E,4E)-5-(6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl)-3-methylhexa-1,4-dienyl]-3-methylcyclopropyl]ethenyl]-4,5-dihydroxyoxan-2-yl]acetic acid; 2-[6-[(E)-2-[2-[(1E,4E)-5-(6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl)-3-methylhexa-1,4-dienyl]-3-methylcyclopropyl]ethenyl]-4,5-dihydroxyoxan-2-yl]acetic acid; 58857-02-6; NSC-328415; NSC328415"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328415	.	.	.	.	474.6	C28H42O6	96.2	827	3.6	34	3	6	9	"InChI=1S/C28H42O6/c1-6-24-17(3)8-11-25(34-24)18(4)13-16(2)7-9-21-19(5)22(21)10-12-26-28(32)23(29)14-20(33-26)15-27(30)31/h7-10,12-13,16,19-26,28-29,32H,6,11,14-15H2,1-5H3,(H,30,31)/b9-7+,12-10+,18-13+"	CCC1C(=CCC(O1)/C(=C/C(C)/C=C/C2C(C2/C=C/C3C(C(CC(O3)CC(=O)O)O)O)C)/C)C	TYIXBSJXUFTELJ-DPSHAVHNSA-N
DG63140	NSC329507	5477555	"3-((Acetyloxy)methyl)-7b-hydroxy-9a-(isobutyryloxy)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa(3,4)benzo(1,2-e)azulen-9-yl 2,4-octadienoate; NSC329507; 71906-60-0; NSC 329507; CHEMBL1995971; DEOXYPHORBOL,E)-2,4-; NSC-329507; DEOXYPHORBOL, 20-O-ACETYL-13-O-ISOBUTYRYL-12-O-(Z,E)-2,4-; [acetoxymethyl-hydroxy-tetramethyl-(2-methylpropanoyloxy)-oxo-[ ]yl] (2E,4E)-octa-2,4-dienoate; 2, 3-[(acetyloxy)methyl]-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-1,1,6,8-tetramethyl-9a-(2-methyl-1-oxopropoxy)-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, [1aR-[1a.alpha.,1b.beta.,4a.beta.,7a.alpha.,7b.alpha.,8.alpha.,9.beta.(2Z,4E),9a.alpha.]]-; 3-((Acetyloxy)methyl)-7b-hydroxy-9a-(isobutyryloxy)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa(3,4)benzo(1,2-e)azulen-9-yl 2,4-octadienoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329507	.	.	.	.	582.7	C34H46O8	116	1250	5.1	42	1	8	12	"InChI=1S/C34H46O8/c1-9-10-11-12-13-14-27(36)41-30-21(5)33(39)25-15-20(4)28(37)24(25)16-23(18-40-22(6)35)17-26(33)29-32(7,8)34(29,30)42-31(38)19(2)3/h11-15,17,19,21,24-26,29-30,39H,9-10,16,18H2,1-8H3/b12-11+,14-13+"	CCC/C=C/C=C/C(=O)OC1C(C2(C3C=C(C(=O)C3CC(=CC2C4C1(C4(C)C)OC(=O)C(C)C)COC(=O)C)C)O)C	OUVDYLSPZLYACO-LDHFCIDVSA-N
DG63141	NSC331121	5477575	"2-Butenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester, [3aR-[3aR*,4R*(Z),6R*,7S*,9R*,10Z,11aR*]]-; NIVEUSIN A; NSC331121; 75680-26-1; CHEMBL1968919; NSC-331121; 2-Butenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester, [3aR-[3aR*,4R*(Z),6R*,7S*,9R*,10Z,11aR*]]-; [dihydroxy-(hydroxymethyl)-methyl-methylene-oxo-[ ]yl] (E)-2-methylbut-2-enoate; 2-Butenoic acid, 2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester, [3aR-[3aR*,4R*(Z),6R*,7S*,9R*,10Z,11aR*]]-; 2-Butenoic acid-, 2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-ylester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	331121	.	.	.	.	394.4	C20H26O8	123	768	0.4	28	3	8	4	"InChI=1S/C20H26O8/c1-5-10(2)17(23)27-14-7-19(4)15(22)8-20(25,28-19)12(9-21)6-13-16(14)11(3)18(24)26-13/h5-6,13-16,21-22,25H,3,7-9H2,1-2,4H3/b10-5+,12-6-"	C/C=C(\\C)/C(=O)OC1CC2(C(CC(O2)(/C(=C\\C3C1C(=C)C(=O)O3)/CO)O)O)C	LJFIVFJQZWRSAJ-LGPPMJGUSA-N
DG63142	Phyllanthastatin 1	5477587	Phyllanthastatin 1; NSC332596; Phyllanthastatin 5; CHEMBL1989132; 82209-93-6; NSC-332596; B680433K349	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332596	.	.	.	.	804.8	C40H52O17	225	1520	1.6	57	3	17	13	"InChI=1S/C40H52O17/c1-19-17-48-40(16-28(19)54-29(43)14-11-24-9-7-6-8-10-24)39(18-49-39)26-13-12-25(15-27(26)57-40)36(47)56-38-35(31(45)33(21(3)51-38)52-22(4)41)55-37-32(46)34(53-23(5)42)30(44)20(2)50-37/h6-11,14,19-21,25-28,30-35,37-38,44-46H,12-13,15-18H2,1-5H3/b14-11+"	CC1COC2(CC1OC(=O)/C=C/C3=CC=CC=C3)C4(CO4)C5CCC(CC5O2)C(=O)OC6C(C(C(C(O6)C)OC(=O)C)O)OC7C(C(C(C(O7)C)O)OC(=O)C)O	QJTFVHQEZWKQOM-SDNWHVSQSA-N
DG63143	NSC339555	5477635	"[(5Z,8E,13E)-25-acetyloxy-1,11,21-trihydroxy-17-(1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate; Bryostatin 1; NSC339555; NSC-339555; 83314-01-6; CHEMBL4296873; SCHEMBL22084841; B705008K112"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339555	.	.	.	.	905	C47H68O17	240	1830	4	64	4	17	13	"InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+"	CCC/C=C/C=C/C(=O)OC1/C(=C/C(=O)OC)/CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4C/C(=C/C(=O)OC)/CC(O4)/C=C/C(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O	MJQUEDHRCUIRLF-KOWVOJLTSA-N
DG63144	"Phyllanthoside, S3'-desacetyl-"	5477653	"NSC342443; CHEMBL1995989; NSC-342443; PHYLLANTHOSIDE, S3'-DESACETYL-; .beta.-D-Glucopyranose, 3-acetate 1-[decahydro-5''-methyl-4''-[(1-oxo-3-phenyl-2-propenyl)oxy]dispiro[oxirane-2,3'(2'H)-benzofuran-2',2''-[2H]pyran]-6'-carboxylate]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	342443	.	.	.	.	762.8	C38H50O16	219	1400	1	54	4	16	11	"InChI=1S/C38H50O16/c1-18-16-46-38(15-26(18)51-27(40)13-10-22-8-6-5-7-9-22)37(17-47-37)24-12-11-23(14-25(24)54-38)34(45)53-36-33(32(50-21(4)39)29(42)20(3)49-36)52-35-31(44)30(43)28(41)19(2)48-35/h5-10,13,18-20,23-26,28-33,35-36,41-44H,11-12,14-17H2,1-4H3/b13-10+"	CC1COC2(CC1OC(=O)/C=C/C3=CC=CC=C3)C4(CO4)C5CCC(CC5O2)C(=O)OC6C(C(C(C(O6)C)O)OC(=O)C)OC7C(C(C(C(O7)C)O)O)O	OUFOBZYCRFWFCS-JLHYYAGUSA-N
DG63145	Cytovaricin	5477715	"Cytovaricin; 79553-45-0; (9E,21Z)-3,14,15,17,19,20-hexahydroxy-6'-(2-hydroxybutyl)-16-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',6,14,18,20,29-hexamethylspiro[4,24,28-trioxatricyclo[23.3.1.03,8]nonacosa-9,21-diene-27,2'-oxane]-23-one; CHEMBL1980047; NSC349622; NSC-349622"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	349622	.	.	.	.	901.1	C47H80O16	244	1530	3.1	63	8	16	6	"InChI=1S/C47H80O16/c1-10-32(48)21-33-27(3)15-19-46(62-33)23-35-28(4)36(63-46)24-47(56)31(20-26(2)25-58-47)14-12-11-13-17-44(7,54)43(53)41(61-38-22-34(57-9)40(51)30(6)59-38)39(50)29(5)42(52)45(8,55)18-16-37(49)60-35/h12,14,16,18,26-36,38-43,48,50-56H,10-11,13,15,17,19-25H2,1-9H3/b14-12+,18-16-"	CCC(CC1C(CCC2(O1)CC3C(C(O2)CC4(C(CC(CO4)C)/C=C/CCCC(C(C(C(C(C(C(/C=C\\C(=O)O3)(C)O)O)C)O)OC5CC(C(C(O5)C)O)OC)O)(C)O)O)C)C)O	NORZLTHXFWGSAT-IMOQJAIBSA-N
DG63146	NSC354049	5477755	"[(7Z,9Z)-9-(hydroxymethyl)-4-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradeca-7,9-dien-2-yl] (E)-4-acetyloxy-2-methylbut-2-enoate; NSC354049; CHEMBL1984068; NSC-354049"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	354049	.	.	.	.	418.4	C22H26O8	112	851	1	30	1	8	7	"InChI=1S/C22H26O8/c1-12(7-8-27-14(3)24)20(25)29-17-10-22(4)18(30-22)6-5-15(11-23)9-16-19(17)13(2)21(26)28-16/h5-7,9,16-19,23H,2,8,10-11H2,1,3-4H3/b6-5-,12-7+,15-9-"	C/C(=C\\COC(=O)C)/C(=O)OC1CC2(C(O2)/C=C\\C(=C\\C3C1C(=C)C(=O)O3)\\CO)C	FHAOJCKOQIDTRQ-WDJNLLAESA-N
DG63147	Leucinostatin A	5477807	"Antibiotic 1907-VIII; Leucinostatin A; Paecilotoxin A; Antibiotic CC 1014; CC-1014; Antibiotic P-168; 76600-38-9; CC 1014; NSC356885; Antibiotic P 168; NSC 356885; P-168; CHEMBL1989620; NSC-356885; .beta.-Alaninamide,6S)-6-hydroxy-4-methyl-8-oxo- L-2-aminodecanoyl-threo-3-hydroxy-L-leucyl- 2-methylalanyl-L-leucyl-L-leucyl-2-methylalanyl- 2-methylalanyl-N-[2-(dimethylamino)-1-methylethyl]-, [1[S-(E)],9(S)]-; beta-Alaninamide, cis-4-methyl-1-(4-methyl-1-oxo-2-hexenyl)-L-prolyl-(4S,6S)-6-hydroxy-4-methyl-8-oxo-L-2-aminodecanoyl-threo-3-hydroxy-L-leucyl-2-methylalanyl-L-leucyl-L-leucyl-2-methylalanyl-2-methylalanyl-N-(2-(dimethylamino)-1-methylethyl)-, (1(S-(E)),9(S))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	356885	.	.	.	.	1218.6	C62H111N11O13	343	2340	4.3	86	11	14	37	"InChI=1S/C62H111N11O13/c1-21-38(9)23-24-49(77)73-33-40(11)31-47(73)55(82)66-46(30-39(10)29-43(75)32-42(74)22-2)53(80)68-50(51(78)37(7)8)56(83)70-61(15,16)58(85)67-44(27-35(3)4)52(79)65-45(28-36(5)6)54(81)69-62(17,18)59(86)71-60(13,14)57(84)63-26-25-48(76)64-41(12)34-72(19)20/h23-24,35-41,43-47,50-51,75,78H,21-22,25-34H2,1-20H3,(H,63,84)(H,64,76)(H,65,79)(H,66,82)(H,67,85)(H,68,80)(H,69,81)(H,70,83)(H,71,86)/b24-23+"	CCC(C)/C=C/C(=O)N1CC(CC1C(=O)NC(CC(C)CC(CC(=O)CC)O)C(=O)NC(C(C(C)C)O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CN(C)C)C	FOAIGCPESMNWQP-WCWDXBQESA-N
DG63148	Liatris laevigata lactone #2	5477810	NSC357288; CHEMBL1972604; LIATRIS LAEVIGATA LACTONE #2; NSC-357288	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357288	.	.	.	.	344.4	C20H24O5	69.7	716	2.5	25	0	5	3	"InChI=1S/C20H24O5/c1-6-10(2)18(22)24-13-9-20(5)14(21)8-7-11(3)16(20)17-15(13)12(4)19(23)25-17/h6,13,15-17H,3-4,7-9H2,1-2,5H3/b10-6+"	C/C=C(\\C)/C(=O)OC1CC2(C(C3C1C(=C)C(=O)O3)C(=C)CCC2=O)C	RWXWIKVQXDTEMH-UXBLZVDNSA-N
DG63149	"3,5-Dihydropurine-6-thione;8-[3-(dimethylamino)propoxy]-1,3,7-trimethylpurine-2,6-dione"	5477848	"NSC361887; CHEMBL1987584; NSC-361887; 1H-Purine-2, 8-[3-(dimethylamino)propoxy]-3,7- dihydro-1,3,7-trimethyl-, mixt. with 1,7-dihydro-6H- purine-6-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361887	.	.	.	.	447.5	C18H25N9O3S	152	681	.	31	1	7	5	"InChI=1S/C13H21N5O3.C5H4N4S/c1-15(2)7-6-8-21-12-14-10-9(16(12)3)11(19)18(5)13(20)17(10)4;10-5-3-4(7-1-6-3)8-2-9-5/h6-8H2,1-5H3;1-3H,(H,6,7,8,9,10)"	CN1C2=C(N=C1OCCCN(C)C)N(C(=O)N(C2=O)C)C.C1=NC(=S)C2C(=NC=N2)N1	SHQNHQQMKUHELL-UHFFFAOYSA-N
DG63150	Chlorinated cyclohexane der 4	5478047	CHLORINATED CYCLOHEXANE DER 4; CHEMBL2004269; NSC377686; NSC-377686	.	.	Investigative Drug(s)	Investigative	Small molecular drug	377686	.	.	.	.	276	C10H14Cl4	0	240	4.6	14	0	0	1	"InChI=1S/C10H14Cl4/c1-9(3-4-11)6-10(2,14)8(13)5-7(9)12/h3-4,7-8H,5-6H2,1-2H3/b4-3+"	CC1(CC(C(CC1Cl)Cl)(C)Cl)/C=C/Cl	UIRLQTKDEMKKKG-ONEGZZNKSA-N
DG63151	Eremantholide B	5478094	EREMANTHOLIDE B; 69883-96-1; NSC380721; CHEMBL2004706; NSC-380721	.	.	Investigative Drug(s)	Investigative	Small molecular drug	380721	.	.	.	.	362.4	C20H26O6	82.1	753	1.9	26	1	6	2	"InChI=1S/C20H26O6/c1-6-11(3)20(23)19(5)16-13(24-17(19)22)7-10(2)12-8-15(21)18(4,25-12)9-14(16)26-20/h7-8,11,13-14,16,23H,6,9H2,1-5H3/b10-7-"	CCC(C)C1(C2(C3C(O1)CC4(C(=O)C=C(O4)/C(=C\\C3OC2=O)/C)C)C)O	ABLNQMKQYJQVRR-YFHOEESVSA-N
DG63152	"(6Z)-6-(1,3-benzodioxol-5-ylmethylene)-3-(3,4-dihydroxyphenyl)thiazolo[2,3-b]thiazol-4-ium-5-one"	5478631	"NSC657719; CHEMBL2008146; ZINC1636165; (6Z)-6-(1,3-benzodioxol-5-ylmethylene)-3-(3,4-dihydroxyphenyl)thiazolo[2,3-b]thiazol-4-ium-5-one; 2-(1,3-Benzodioxol-5-ylmethylene)-5-(3,4-dihydroxyphenyl)-4lambda~5~-[1,3]thiazolo[2,3-b][1,3]thiazol-3(2H)-one hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657719	.	.	.	.	398.4	C19H12NO5S2+	133	631	4.5	27	2	7	2	"InChI=1S/C19H11NO5S2/c21-13-3-2-11(7-14(13)22)12-8-26-19-20(12)18(23)17(27-19)6-10-1-4-15-16(5-10)25-9-24-15/h1-8H,9H2,(H-,21,22)/p+1/b17-6-"	C1OC2=C(O1)C=C(C=C2)/C=C\\3/C(=O)[N+]4=C(S3)SC=C4C5=CC(=C(C=C5)O)O	HCSZLOLPWYTKLS-FMQZQXMHSA-O
DG63153	"ethyl (6Z)-6-[(2-chlorophenyl)methylene]-3-methyl-5-oxo-thiazolo[2,3-b]thiazol-4-ium-2-carboxylate"	5478638	"NSC658291; CHEMBL2008517; ZINC5853256; ethyl (6Z)-6-[(2-chlorophenyl)methylene]-3-methyl-5-oxo-thiazolo[2,3-b]thiazol-4-ium-2-carboxylate; Ethyl 6-(2-chlorobenzylidene)-3-methyl-5-oxo-5,6-dihydro-4lambda~5~-[1,3]thiazolo[2,3-b][1,3]thiazole-2-carboxylate hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658291	.	.	.	.	366.9	C16H13ClNO3S2+	101	528	5.3	23	0	5	4	"InChI=1S/C16H13ClNO3S2/c1-3-21-15(20)13-9(2)18-14(19)12(22-16(18)23-13)8-10-6-4-5-7-11(10)17/h4-8H,3H2,1-2H3/q+1/b12-8-"	CCOC(=O)C1=C([N+]2=C(S1)S/C(=C\\C3=CC=CC=C3Cl)/C2=O)C	NDECNXYSCZESKZ-WQLSENKSSA-N
DG63154	2-Azaadenine	5480214	"2-Azaadenine; 2308-56-7; 5H-imidazo[4,5-d]triazin-4-amine; UNII-7P0OW7JL4V; 7P0OW7JL4V; NSC57048; 2-Aza-adenine; NSC 57048; 4-aminoimidazotriazine; SCHEMBL2115829; DTXSID10177651; 7H-imidazo[4,5-d]triazin-4-amine; NSC-57048; ZINC13544284; AKOS006339943; AKOS022633558; 1H-Imidazo(4,5-d)-1,2,3-triazin-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	57048	.	.	.	.	136.12	C4H4N6	93.4	127	-1.1	10	2	5	0	"InChI=1S/C4H4N6/c5-3-2-4(7-1-6-2)9-10-8-3/h1H,(H3,5,6,7,8,9)"	C1=NC2=NN=NC(=C2N1)N	QHVZREGCOXMZPG-UHFFFAOYSA-N
DG63155	"12,13-Dihydro-3,9-dimethoxy-5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione"	5482344	"118458-58-5; CHEMBL1956068; 12,13-Dihydro-3,9-dimethoxy-5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione; GW296115X; 3744-W; 7,19-dimethoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione; SCHEMBL8120713; DTXSID60420508; CHEBI:143121; ZINC6484787; BDBM50365215; NSC756209; NSC-756209; GW296115; DB-081257; 3744W; FT-0701632; AB01092427-01; A937611; 12,13-Dihydro-3,9-dimethoxy-5H-indolo[2,3-a]pyrrolo[3,4-a]carbazole-5,7-(6H)-dione; 12,13-Dihydro-3,9-dimethoxy-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-(6H)-dione; 3,9-dimethoxy-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756209	.	.	.	.	385.4	C22H15N3O4	96.2	658	3.6	29	3	4	2	"InChI=1S/C22H15N3O4/c1-28-9-3-5-13-11(7-9)15-17-18(22(27)25-21(17)26)16-12-8-10(29-2)4-6-14(12)24-20(16)19(15)23-13/h3-8,23-24H,1-2H3,(H,25,26,27)"	COC1=CC2=C(C=C1)NC3=C4C(=C5C(=C23)C(=O)NC5=O)C6=C(N4)C=CC(=C6)OC	LGTURXDQKJRHSF-UHFFFAOYSA-N
DG63156	N-[(E)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide	5484390	MLS003115601; 71555-28-7; NSC289098; CHEMBL31091; SCHEMBL22056133; ZINC17106006; NSC-289098; BRD-K58304294-001-01-5	.	.	Investigative Drug(s)	Investigative	Small molecular drug	289098	.	.	.	.	262.38	C13H18N4S	72.6	310	2.1	18	1	3	2	"InChI=1S/C13H18N4S/c1-11(12-7-3-4-8-14-12)15-16-13(18)17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,16,18)/b15-11+"	C/C(=N\\NC(=S)N1CCCCC1)/C2=CC=CC=N2	JLQJXIRORURHRB-RVDMUPIBSA-N
DG63157	N-[(E)-1-pyridin-2-ylethylideneamino]pyrrolidine-1-carbothioamide	5484394	MLS003115948; 71555-26-5; NSC318805; CHEMBL373400; ZINC5648391; N-[(E)-1-pyridin-2-ylethylideneamino]pyrrolidine-1-carbothioamide; NSC-318805; 2-acetylpyridine N-pyrrolidinylthiosemicarbazone; BRD-K96548276-001-01-3; N-[1-pyridin-2-ylethylideneamino]pyrrolidine-1-carbothioamide; 119206-82-5	.	.	Investigative Drug(s)	Investigative	Small molecular drug	318805	.	.	.	.	248.35	C12H16N4S	72.6	297	1.8	17	1	3	2	"InChI=1S/C12H16N4S/c1-10(11-6-2-3-7-13-11)14-15-12(17)16-8-4-5-9-16/h2-3,6-7H,4-5,8-9H2,1H3,(H,15,17)/b14-10+"	C/C(=N\\NC(=S)N1CCCC1)/C2=CC=CC=N2	KJWUMRFUJFIVGM-GXDHUFHOSA-N
DG63158	N-[(E)-1-(p-tolyl)ethylideneamino]-2-[2-[[(Z)-1-(p-tolyl)ethylideneamino]carbamoyl]anilino]benzamide	5493586	"NSC698453; CHEMBL1992769; NSC-698453; Benzoic acid, 2-[[2-[[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazino]carbonyl]phenyl]amino]-, [(1Z)-1-(4-methylphenyl)ethylidene]hydrazide; N-[(E)-1-(p-tolyl)ethylideneamino]-2-[2-[[(Z)-1-(p-tolyl)ethylideneamino]carbamoyl]anilino]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698453	.	.	.	.	517.6	C32H31N5O2	95	800	7	39	3	5	8	"InChI=1S/C32H31N5O2/c1-21-13-17-25(18-14-21)23(3)34-36-31(38)27-9-5-7-11-29(27)33-30-12-8-6-10-28(30)32(39)37-35-24(4)26-19-15-22(2)16-20-26/h5-20,33H,1-4H3,(H,36,38)(H,37,39)/b34-23-,35-24+"	CC1=CC=C(C=C1)/C(=N/NC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)N/N=C(/C)\\C4=CC=C(C=C4)C)/C	DLHOFGXRAAUKLY-MHCOGVSMSA-N
DG63159	"alpha-Cyclodextrin, compd. with hydroxy(2-pyridinyl) diazene, sodium salt"	5493780	"NSC601346; hexakis(hydroxymethyl)[ ]dodecol; N-(2-pyridyl)nitrous amide; .alpha.-Cyclodextrin, compd. with hydroxy(2-pyridinyl) diazene, sodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601346	.	.	.	.	1094.9	C41H64N3O31-	536	1350	.	75	18	34	7	"InChI=1S/C36H60O30.C5H5N3O/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44;9-8-7-5-3-1-2-4-6-5/h7-54H,1-6H2;1-4H,(H,6,7,9)/p-1"	C1=CC=NC(=C1)/N=N/[O-].C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(O2)C(C7O)O)CO)CO)CO)CO)CO)O)O)O	PTAITCGNMIKZHH-UHFFFAOYSA-M
DG63160	"4-[(1E,3E)-4-(4-ethoxythiochromenylium-2-yl)buta-1,3-dienyl]-N,N-dimethyl-aniline tetrafluoroborate"	5493872	"NSC631073; 1-Benzothiopyrylium, 2-[(1E,3E)-4-[4-(dimethylamino)phenyl]-1,3-butadienyl]-4-ethoxy-, compd. with borate(1-), tetrafluoro- (1:1); 4-[(1E,3E)-4-(4-ethoxythiochromenylium-2-yl)buta-1,3-dienyl]-N,N-dimethyl-aniline tetrafluoroborate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631073	.	.	.	.	449.3	C23H24BF4NOS	37.5	730	.	31	0	7	4	"InChI=1S/C23H24NOS.BF4/c1-4-25-22-17-20(26-23-12-8-7-11-21(22)23)10-6-5-9-18-13-15-19(16-14-18)24(2)3;2-1(3,4)5/h5-17H,4H2,1-3H3;/q+1;-1/b6-5+,20-10-;"	[B-](F)(F)(F)F.CCOC1=C/C(=C/C=C/C=C2C=CC(=[N+](C)C)C=C2)/SC3=CC=CC=C31	JJTJNMYTZJCIHL-FXCBIPOQSA-N
DG63161	"4-[(1E,3E,5E)-6-(4-ethoxythiochromenylium-2-yl)hexa-1,3,5-trienyl]-N,N-dimethyl-aniline tetrafluoroborate"	5493874	"CHEMBL1997805; NSC631074; 1-Benzothiopyrylium, 2-[(1E,3E,5E)-6-[4-(dimethylamino)phenyl]-1,3,5-hexatrienyl]-4-ethoxy-, compd. with borate(1-), tetrafluoro- (1:1); 4-[(1E,3E,5E)-6-(4-ethoxythiochromenylium-2-yl)hexa-1,3,5-trienyl]-N,N-dimethyl-aniline tetrafluoroborate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631074	.	.	.	.	475.4	C25H26BF4NOS	37.5	802	.	33	0	7	5	"InChI=1S/C25H26NOS.BF4/c1-4-27-24-19-22(28-25-14-10-9-13-23(24)25)12-8-6-5-7-11-20-15-17-21(18-16-20)26(2)3;2-1(3,4)5/h5-19H,4H2,1-3H3;/q+1;-1/b7-5+,8-6+,22-12-;"	[B-](F)(F)(F)F.CCOC1=C/C(=C/C=C/C=C/C=C2C=CC(=[N+](C)C)C=C2)/SC3=CC=CC=C31	GTPHVQUUHDXATF-SPPZVWFXSA-N
DG63162	1-(3-chlorophenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea	5494177	NSC668335; MLS002702208; CHEMBL1987055; ZINC5957182; NSC-668335; 1-(2-Pyridinyl)ethanone N-(3-chlorophenyl)thiosemicarbazone; 1-(3-chlorophenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668335	.	.	.	.	304.8	C14H13ClN4S	81.4	361	3.3	20	2	3	3	"InChI=1S/C14H13ClN4S/c1-10(13-7-2-3-8-16-13)18-19-14(20)17-12-6-4-5-11(15)9-12/h2-9H,1H3,(H2,17,19,20)/b18-10-"	C/C(=N/NC(=S)NC1=CC(=CC=C1)Cl)/C2=CC=CC=N2	QJEQNMXYYQUOAY-ZDLGFXPLSA-N
DG63163	N'-(1-(6-Methyl-2-pyridinyl)ethylidene)-1-piperidinecarbothiohydrazide	5494219	"NSC673831; ZINC8665585; N'-(1-(6-Methyl-2-pyridinyl)ethylidene)-1-piperidinecarbothiohydrazide; N-[(Z)-1-(6-methyl-2-pyridyl)ethylideneamino]piperidine-1-carbothioamide; 1-Piperidinecarbothioic acid, 2-[1-(6-methyl-2-pyridinyl)ethylidene]hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673831	.	.	.	.	276.4	C14H20N4S	72.6	336	2.5	19	1	3	2	"InChI=1S/C14H20N4S/c1-11-7-6-8-13(15-11)12(2)16-17-14(19)18-9-4-3-5-10-18/h6-8H,3-5,9-10H2,1-2H3,(H,17,19)/b16-12-"	CC1=NC(=CC=C1)/C(=N\\NC(=S)N2CCCCC2)/C	PVHGAKSBSCSRFX-VBKFSLOCSA-N
DG63164	Thiosemicarbazone H	5494319	"Thiosemicarbazone H; 71555-41-4; NSC318807; 1H-AZEPINE-1-CARBOTHIOIC ACID, HEXAHYDRO-, (1-(2-PYRIDINYL)ETHYLIDENE)HYDRAZIDE; MLS002703051; NSC 318807; BRN 1478118; Haphmtsc; 1H-Azepine-1-carbothioic acid, hexahydro-, [1-(2-pyridinyl)ethylidene]hydrazide; 1H-Azepine-1-thiocarboxylic acid, hexahydro-(1-(2-pyridyl)ethylidene)hydrazide; Azacycloheptane-1-thiocarboxylic acid, 2-(1-(2-pyridyl)ethylidene)hydrazide; Hexahydro-1H-azepine-1-thiocarboxylic acid (1-(2-pyridyl)ethylidene)hydrazide; CHEMBL279779; HEXAHYDRO-1H-AZEPINE-1-CARBOTHIOC ACID, [1-(2-PYRIDINYL)ETHYLIDENE]HYDRAZIDE; ZINC17122354; CCG-102451; NSC-318807; 2-acetylpyridine hexamethyleneimine-thiosemicarbazone; 2-Acetylpyridinehexamethyleneimine-Thiosemicarbazone; BRD-K71462943-001-01-9; N-[(E)-1-(2-pyridyl)ethylideneamino]azepane-1-carbothioamide; 1H-Azepine-1-carbothioic acid, [1-(2- pyridinyl)ethylidene]hydrazide; Azacycloheptane-1-thiocarboxylic acid 2-(1-(2-pyridyl)ethylidene) hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	318807	.	.	.	.	276.4	C14H20N4S	72.6	321	2.5	19	1	3	2	"InChI=1S/C14H20N4S/c1-12(13-8-4-5-9-15-13)16-17-14(19)18-10-6-2-3-7-11-18/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,17,19)/b16-12+"	C/C(=N\\NC(=S)N1CCCCCC1)/C2=CC=CC=N2	LYIUREYWAKPINL-FOWTUZBSSA-N
DG63165	Tozasertib	5494449	"Tozasertib; 639089-54-6; VX-680; MK-0457; VX 680; MK 0457; VX680; Tozasertib (VX-680); VX-680 (MK-0457,Tozasertib); N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide; UNII-234335M86K; VX-68; MK-045; L-001281814; CHEMBL572878; N-(4-(4-(3-methyl-1H-pyrazol-5-ylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylthio)phenyl)cyclopropanecarboxamide; N-[4-[[4-(4-Methyl-1-piperazinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide; VX6; 234335M86K; Cyclopropanecarboxamide, N-[4-[[4-(4-methyl-1-piperazinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]-; Cyclopropanecarboxamide,N-[4-[[4-(4-methyl-1-piperazinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]-; Cyclopropanecarboxylic Acid {4-[4-(4-Methyl-Piperazin-1-Yl)-6-(5-Methyl-2h-Pyrazol-3-Ylamino)-Pyrimidin-2-Ylsulfanyl]-Phenyl}-Amide; N-(4-((4-((5-methyl-1H-pyrazol-3-yl)amino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl)thio)phenyl)cyclopropanecarboxamide; N-[4-({4-[(3-methyl-1H-pyrazol-5-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl}sulfanyl)phenyl]cyclopropanecarboxamide; (N-[4({4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5 -yl)amino]pyrimidin-2-yl}thio)phenyl]cyclopropanecarboxamide); Tozasertib (USAN); Tozasertib [USAN:INN]; Cyclopropanecarboxamide, N-(4-((4-(4-methyl-1-piperazinyl)-6-((5-methyl-1H-pyrazol-3-yl)amino)-2-pyrimidinyl)thio)phenyl)-; VE 465; VX-680 (MK-0457, Tozasertib); Kinome_3803; 2f4j; Tozasertib (MK-0457); Cyclopropanecarboxylic acid N-(4-((4-(4-methylpiperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)pyrimidin-2-yl)sulfanyl)phenyl)amide; MLS001065920; SCHEMBL614528; GTPL5718; BDBM13534; CHEBI:91336; DTXSID10213609; QCR-107; SYN1092; BCPP000017; HMS2043N07; HMS2198F22; HMS3244O19; HMS3244O20; HMS3244P19; HMS3265C21; HMS3265C22; HMS3265D21; HMS3265D22; HMS3654I11; HMS3750O19; ACT03970; AOB87770; BCP01859; EX-A2179; Tozasertib(MK-0457,VX-680); ZINC3820040; BDBM50004205; MFCD13185152; NSC745967; NSC800955; s1048; VX-680; Tozasertib; MK-0457; AKOS015902930; CCG-264793; CS-0007; NSC-745967; NSC-800955; SB19302; Tozasertib (VX-680, MK-0457); VX-680 (Tozasertib, MK-0457); VX-680 - MK0457 - Tozasertib; NCGC00168110-01; NCGC00168110-02; NCGC00168110-05; AM808097; AS-18632; cyclopropane carboxylic acid(4-(4-(4-methylpiperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)pyrimidin-2-ylsulfanyl)phenyl)amide; Cyclopropane carboxylic acid{4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)-pyrimidin-2-ylsulphanyl]-phenyl}-amide; HY-10161; SMR000486395; VX-680, MK-0457, TOZASERTIB; FT-0652724; SW212828-2; W9901; EC-000.2365; A19417; D08279; 089V546; J-523024; Q6605919; BRD-K59369769-001-02-1; BRD-K59369769-001-09-6; BRD-K59369769-001-12-0; BRD-K59369769-001-14-6; BRD-K87947369-001-01-6; cyclopropane carboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2h-pyrazol-3-ylamino)-pyrimidin-2-ylsulphanyl]-phenyl}-amide; cyclopropane carboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)-pyrimidin-2ylsulphanyl]-phenyl}-amide; Cyclopropanecarboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-1H-pyrazol-3-ylamino)-pyrimidin-2; N-(4-((4-(4-Methylpiperazin-1-yl)-6-((5-methyl-1H-pyrazol-3-yl)amino)pyrimidin-2-yl)sulfanyl)phenyl)cyclopropanecarboxamide; N-[4-({4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}sulfanyl)phenyl]cyclopropanecarboxamide; N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800955	.	.	.	.	464.6	C23H28N8OS	127	650	3.4	33	3	8	7	"InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)"	CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C	GCIKSSRWRFVXBI-UHFFFAOYSA-N
DG63166	"N,N'-bis[(Z)-(2-chlorophenyl)methylideneamino]hexanediamide"	5539412	NSC49502; ZINC1681402; NSC-49502	.	.	Investigative Drug(s)	Investigative	Small molecular drug	49502	.	.	.	.	419.3	C20H20Cl2N4O2	82.9	508	4	28	2	4	9	"InChI=1S/C20H20Cl2N4O2/c21-17-9-3-1-7-15(17)13-23-25-19(27)11-5-6-12-20(28)26-24-14-16-8-2-4-10-18(16)22/h1-4,7-10,13-14H,5-6,11-12H2,(H,25,27)(H,26,28)/b23-13-,24-14-"	C1=CC=C(C(=C1)/C=N\\NC(=O)CCCCC(=O)N/N=C\\C2=CC=CC=C2Cl)Cl	VMTCNNITCITFOD-GACBQCINSA-N
DG63167	NSC755880	5702003	"[(6R,7S,8R)-11-Amino-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate; [(6R,7S,8R)-11-Amino-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate; SR-05000001845; Spectrum2_000920; Spectrum3_001792; Spectrum4_000929; Spectrum5_001888; BSPBio_003343; KBioGR_001458; SPECTRUM330002; DivK1c_001034; SPBio_000800; CHEBI:91730; HMS503O09; KBio1_001034; KBio3_002845; NINDS_001034; HMS1923I11; HMS2091C19; Pharmakon1600-00330002; LSM-1590; CCG-39750; NSC755880; NSC-755880; IDI1_001034; NCGC00178129-01; AB00051901_02; SR-05000001845-1; SR-05000001845-4; SR-05000001845-5; BRD-A48237631-001-02-2; BRD-A48237631-001-03-0; Q27163543"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755880	.	.	.	.	334.33	C15H18N4O5	147	757	-0.4	24	3	8	4	"InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7 ,13+,15-/m0/s1"	CC1=C(C(=O)C2=C(C1=O)N3CC4[C@H]([C@]3([C@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-CPKMXBGFSA-N
DG63168	Pharmakon1600-01500151	5702014	NSC-755915; 22260-51-1; SPECTRUM1500151; HMS502C19; HMS1920I05; HMS2091O07; Pharmakon1600-01500151; CCG-40056; NSC755915; SR-05000001578; SR-05000001578-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755915	.	.	.	.	750.7	C33H44BrN5O8S	181	1320	.	48	4	9	5	"InChI=1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18 ,23-,24 ,25+,31-,32 ;/m1./s1"	CC(C)CC1C(=O)N2CCC[C@H]2C3(N1C(=O)[C@](O3)(C(C)C)NC(=O)C4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O	NOJMTMIRQRDZMT-NBKIJBDLSA-N
DG63169	Pharmakon1600-01500247	5702042	SR-05000001606; Spectrum_000966; Spectrum2_001262; Spectrum3_000394; Spectrum4_001752; Spectrum5_000604; BSPBio_002207; KBioGR_002224; KBioSS_001446; DivK1c_000867; SPECTRUM1500247; SPBio_001224; CHEMBL3039191; SCHEMBL12841137; HMS502L09; KBio1_000867; KBio2_001446; KBio2_004014; KBio2_006582; KBio3_001427; NINDS_000867; HMS1920G14; HMS2091O04; Pharmakon1600-01500247; CCG-38826; NSC756738; NSC-756738; SDCCGMLS-0066591.P001; IDI1_000867; NCGC00178762-01; NCGC00178762-02; SBI-0052454.P003; AB00052961_02; SR-05000001606-1; SR-05000001606-2; BRD-A94756469-001-02-1; BRD-A94756469-001-03-9	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756738	.	.	.	.	780.9	C41H64O14	203	1450	1.3	55	6	14	7	"InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26 ,27 ,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1"	C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CCC6C5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O	LTMHDMANZUZIPE-QVYPYPLASA-N
DG63170	17alpha-Hydroxyprogesterone hexanoate;17alpha-Hydroxyprogesterone caproate	5702072	17alpha-Hydroxyprogesterone hexanoate;17alpha-Hydroxyprogesterone caproate; Spectrum_000907; Spectrum2_000530; Spectrum3_000461; Spectrum4_000011; Spectrum5_000834; BSPBio_002162; KBioGR_000381; KBioSS_001387; DivK1c_000028; SPECTRUM1500343; SPBio_000519; CHEMBL3039315; SCHEMBL21497316; HMS500B10; KBio1_000028; KBio2_001387; KBio2_003955; KBio2_006523; KBio3_001382; NINDS_000028; HMS1920F07; HMS2091L15; HMS3371O02; Pharmakon1600-01500343; CCG-39518; NSC759612; NSC-759612; IDI1_000028; NCGC00178787-01; SBI-0051412.P003; AB00052017_02; SR-05000002083; SR-05000002083-1; BRD-A29731977-001-02-9; 3-AMINO-3-[3-(4-METHYL-PHENOXY)-PHENYL]-PROPIONICACID	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759612	.	.	.	.	428.6	C27H40O4	60.4	797	5.7	31	0	4	7	"InChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21 ,22 ,23 ,25-,26-,27-/m0/s1"	CCCCCC(=O)O[C@@]1(CCC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@]34C)C)C(=O)C	DOMWKUIIPQCAJU-JKPPDDDBSA-N
DG63171	Ethaverine hydrochloride	5702159	"Ethaverine hydrochloride; 985-13-7; Ethaquin; ETHAVERINE HCl; Consenil; Papetherine; Laverin; Neopavrin; Paveroid; Perparin; Cebral; Isovex; Perparine; Perperine; Barbonin hydrochloride; 1-(3,4-Diethoxybenzyl)-6,7-diethoxyisoquinoline hydrochloride; UNII-6Z6T599E49; Ethaverine (hydrochloride); 6Z6T599E49; NSC-525044; DSSTox_CID_27759; DSSTox_RID_82536; DSSTox_GSID_47779; 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinoline;hydrochloride; ethaverinehydrochloride; Perparin hydrochloride; Perparine hydrochloride; Perperine hydrochloride; Papetherine hydrochloride; SR-01000872675; NCGC00016557-01; CAS-985-13-7; Isoquinoline, 1-((3,4-diethoxyphenyl)methyl)-6,7-diethoxy-, hydrochloride (1:1); Isoquinoline, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-, hydrochloride (1:1); Ethaquin (TN); EINECS 213-573-9; Prestwick_1049; NSC 525044; SCHEMBL317507; SPECTRUM1501000; CHEMBL1316965; DTXSID2047779; HMS1570F21; HMS1921O22; Pharmakon1600-01501000; ETHYLPAPAVERINE HYDROCHLORIDE; 6,7-Diethoxy-1-(3,4-diethoxybenzyl)isoquinoline hydrochloride; Tox21_110492; CCG-39003; NSC525044; NSC757818; AKOS024255721; Isoquinoline, 1-((3,4-diethoxyphenyl)methyl)-6,7-diethoxy-, hydrochloride; ISOQUINOLINE, 1-(3,4-DIETHOXYBENZYL)-6,7-DIETHOXY-, HYDROCHLORIDE; Tox21_110492_1; KS-1407; MCULE-3681389000; NSC-757818; NCGC00016557-06; NCGC00094883-01; NCGC00094883-02; DS-002738; 6,4-diethoxybenzyl)isoquinoline hydrochloride; D07927; 3-methoxyestra-1,3,5(10),8,14-pentaen-17-one; SR-01000872675-1; SR-01000872675-2; Q27265768; Isoquinoline,4-diethoxybenzyl)-6,7-diethoxy-, hydrochloride; Isoquinoline,4-diethoxyphenyl)methyl]-6,7-diethoxy-, hydrochloride; Isoquinoline,1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-, hydrochloride (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757818	.	.	.	.	431.9	C24H30ClNO4	49.8	462	.	30	1	5	10	"InChI=1S/C24H29NO4.ClH/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20;/h9-12,14-16H,5-8,13H2,1-4H3;1H"	CCOC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OCC)OCC)OCC.Cl	UPUDVKWQBVIKBG-UHFFFAOYSA-N
DG63172	"5-fluoro-1-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione"	5702211	"5-fluoro-1-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione; Spectrum_001306; Spectrum2_000667; Spectrum3_000950; Spectrum4_001063; Spectrum5_000694; KBioGR_001386; KBioSS_001786; DivK1c_000635; SPECTRUM1503059; SPBio_000733; SCHEMBL4939702; HMS501P17; KBio1_000635; KBio2_001786; KBio2_004354; KBio2_006922; KBio3_002020; NINDS_000635; HMS1922C03; HMS2092H14; Pharmakon1600-01503059; CCG-40019; NSC758230; NSC-758230; IDI1_000635; SBI-0051758.P002; AB00052306_02; SR-05000002046; SR-05000002046-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758230	.	.	.	.	246.19	C9H11FN2O5	99.1	386	-1.2	17	3	6	2	"InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6-,7 /m1/s1"	C1[C@H]([C@H](OC1N2C=C(C(=O)NC2=O)F)CO)O	ODKNJVUHOIMIIZ-CQMSUOBXSA-N
DG63173	cis-Chlorprothixene hydrochloride	5702223	"MLS000069825; Chlorprothixene HCl; Tarasan; SMR000058853; cis-Chlorprothixene hydrochloride; Thioxanthene, hydrochloride, (E)-; Thioxanthene, hydrochloride, (Z)-; NSC56378; NSC-56378; 1-Propanamine,N-dimethyl-, hydrochloride, (E)-; 1-Propanamine,N-dimethyl-, hydrochloride, (Z)-; 2-Chloro-9-(3-dimethylaminopropylidene)thioxanthene hydrochloride; Thioxanthene-.DELTA.9, 2-chloro-N,N-dimethyl-, hydrochloride, (E)-; Thioxanthene-.DELTA.9, 2-chloro-N,N-dimethyl-, hydrochloride, (Z)-; 1229-38-5; NSC56379; Opera_ID_312; Chlorprothixenhydrochlorid; MLS002153226; MLS002207088; SPECTRUM1503203; CHEMBL1406274; cis-2-Chloro-9-[3-(dimethylamino)propylidene]thioxanthene, hydrochloride; trans-2-Chloro-9-(3-(dimethylamino)propylidene)thioxanthene, hydrochloride; trans-2-Chloro-9-[3-(dimethylamino)propylidene]thioxanthene, hydrochloride; CHEBI:180502; REGID_for_CID_5702223; HMS1922I03; Pharmakon1600-01503203; NSC64084; NSC78192; NSC78193; CCG-40275; MFCD01941605; NSC-56379; NSC-64084; NSC-78192; NSC-78193; NSC169899; NSC758399; AKOS015846456; AC-8079; NSC-169899; NSC-758399; 1-Propanamide, 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, hydrochloride; NCGC00095013-01; NCGC00095013-02; NCGC00095013-03; NCGC00095013-04; NCGC00180880-01; NCGC00180880-02; SR-01000721849; SR-01000721849-3; 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine hydrochloride; 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine--hydrogen chloride; 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-aminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758399	.	.	.	.	352.3	C18H19Cl2NS	28.5	381	.	22	1	2	3	"InChI=1S/C18H18ClNS.ClH/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18;/h3-4,6-10,12H,5,11H2,1-2H3;1H/b14-7+;"	CN(C)CC/C=C/1\\C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl	YWKRLOSRDGPEJR-FJUODKGNSA-N
DG63174	Pharmakon1600-01503223	5702227	"KBio1_000496; Spectrum_000097; Spectrum2_000007; Spectrum3_001583; Spectrum4_000171; Spectrum5_001012; BSPBio_003146; KBioGR_000681; KBioSS_000517; DivK1c_000496; SPECTRUM1503223; SPBio_000013; SCHEMBL5332266; CHEMBL1517986; HMS501I18; KBio2_000517; KBio2_003085; KBio2_005653; KBio3_002646; NINDS_000496; HMS1922B21; HMS2092P04; Pharmakon1600-01503223; CCG-39970; NSC758408; IDI1_000496; NCGC00095100-01; NCGC00095100-02; NCGC00095100-03; SBI-0051793.P002; SR-05000002000; SR-05000002000-1; 3-[(3-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline; 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758408	.	.	.	.	675.7	C42H33N3O6	191	1040	.	51	7	9	6	"InChI=1S/C23H16O6.C19H17N3/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;20-16-9-7-13(8-10-16)19(14-3-1-5-17(21)11-14)15-4-2-6-18(22)12-15/h1-10,24-25H,11H2,(H,26,27)(H,28,29);1-12,20H,21-22H2"	C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.C1=CC(=CC(=C1)N)C(=C2C=CC(=N)C=C2)C3=CC(=CC=C3)N	OILMTGAXBCPFHL-UHFFFAOYSA-N
DG63175	Pharmakon1600-01501205	5702228	SR-05000001784; 17575-22-3; Spectrum_000407; Spectrum2_001452; Spectrum3_001474; Spectrum4_000002; Spectrum5_001077; BSPBio_003027; KBioGR_000343; KBioSS_000887; DivK1c_000670; SPECTRUM1501205; SPBio_001343; CHEMBL3039124; SCHEMBL20582682; HMS502B12; KBio1_000670; KBio2_000887; KBio2_003455; KBio2_006023; KBio3_002527; NINDS_000670; HMS1921B08; HMS2092L15; Pharmakon1600-01501205; CCG-38866; NSC759630; NSC-759630; IDI1_000670; NCGC00178340-01; SBI-0051950.P002; AB00052470_02; SR-05000001784-1; SR-05000001784-2; SR-05000001784-3; BRD-A64242993-001-02-3; BRD-A64242993-001-03-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759630	.	.	.	.	985.1	C49H76O20	288	1870	0.2	69	8	20	12	"InChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26 ,27+,28-,29 ,30 ,31+,32+,33+,34-,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1"	C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3(C(C2)CCC4C3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC(=O)C)O	JAYAGJDXJIDEKI-YBYZECQXSA-N
DG63176	Methylbenzethonium chloride	5702238	"Methylbenzethonium chloride; 25155-18-4; Methyl benzethonium chloride; UNII-NN7590IUQX; benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride; 101912-16-7; NN7590IUQX; METHYLBENZETHONIUMCHLORIDE; MFCD00011821; N-Benzyl-N,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethyl-2-pentyl)phenoxy]ethoxy]ethanaminium Chloride; MLS002153966; Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride (1:1); Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)-o-tolyl)oxy)ethoxy)ethyl)ammonium chloride; Quat20; Quat 20; NSC-758427; SR-05000002081; SMR001233305; C28H44ClNO2; Prestwick_9; SCHEMBL136062; SPECTRUM1503253; CHEMBL1321398; METHYLBENZTHONIUM CHLORIDE; HMS502B21; CHEBI:183404; HMS1570M11; HMS1922M21; HMS2093A07; HMS2097M11; HMS2235G10; HMS3371P01; HMS3714M11; Pharmakon1600-01503253; AC9659; CCG-39322; NSC758427; AKOS015961180; NCGC00095032-01; NCGC00095032-02; NCGC00095032-03; NCGC00095032-04; NCGC00164393-01; AC-13152; AS-15749; Q567; SY264361; FT-0628864; J-015841; SR-05000002081-1; SR-05000002081-3; Q27284969; UNII-4XKK0M5H9M component QWZLBLDNRUUYQI-UHFFFAOYSA-M; Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride; N-Benzyl-N,N-dimethyl-2-(2-(2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethanaminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758427	.	.	.	.	462.1	C28H44ClNO2	18.5	502	.	32	0	3	12	"InChI=1S/C28H44NO2.ClH/c1-23-20-25(28(5,6)22-27(2,3)4)14-15-26(23)31-19-18-30-17-16-29(7,8)21-24-12-10-9-11-13-24;/h9-15,20H,16-19,21-22H2,1-8H3;1H/q+1;/p-1"	CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]	QWZLBLDNRUUYQI-UHFFFAOYSA-M
DG63177	"[(1S,7S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate"	5702286	"[(1S,7S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate; NSC-759322; Spectrum_001716; Spectrum2_001979; Spectrum3_001801; Spectrum4_001826; Spectrum5_000591; BSPBio_003381; KBioGR_002497; KBioSS_002196; DivK1c_000195; SPECTRUM1601000; SPBio_002137; HMS500J17; KBio1_000195; KBio2_002196; KBio2_004764; KBio2_007332; KBio3_002884; NINDS_000195; Pharmakon1600-01601000; CCG-39517; NSC759322; IDI1_000195; NCGC00178105-01; BRD-A83177971-001-02-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759322	.	.	.	.	390.5	C23H34O5	72.8	637	3.9	28	1	5	7	"InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18 ,19 ,20-,22-/m0/s1"	CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1C([C@H](C=C2)C)CCC3C[C@H](CC(=O)O3)O	AJLFOPYRIVGYMJ-JGKZIMKKSA-N
DG63178	1-Fluoro-3-(2-nitrovinyl)benzene	5702506	"1-fluoro-3-(2-nitrovinyl)benzene; 705-84-0; 1-(3-FLUOROPHENYL)-2-NITROETHENE; 1979-49-3; (E)-1-Fluoro-3-(2-nitrovinyl)benzene; 1-fluoro-3-[(E)-2-nitroethenyl]benzene; CHEMBL1984399; 1-fluoro-3-[(E)-2-nitrovinyl]benzene; 1-fluoro-3-(2-nitroethenyl)benzene; NSC295466; SCHEMBL527534; ZINC103600; ALBB-031223; BAA97949; 0933AC; 1-(2-Nitroethenyl)-3-fluorobenzene; ANM100004; BDBM50504453; CCG-41614; MFCD00176732; AKOS010878561; AKOS017433591; DS-6099; NSC-295466; 1-Fluoro-3-((E)-2-nitro-vinyl)-benzene; 1-fluoro-3-[(1E)-2-nitroethenyl]benzene; CS-0043813; Y6110; EN300-55536; C76251; 705F840; A836926; SR-01000631675-1; 1-fluoro-3-[(E)-2-nitrovinyl]benzene;1-Fluoro-3-(2-nitrovinyl)benzene; Manganese, chloro[[2,2'-[1,2-ethanediylbis[(nitrilo-kN)methylidyne]]bis[phenolato-kO]](2-)]-, (SP-5-13)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295466	.	.	.	.	167.14	C8H6FNO2	45.8	188	2	12	0	3	1	InChI=1S/C8H6FNO2/c9-8-3-1-2-7(6-8)4-5-10(11)12/h1-6H/b5-4+	C1=CC(=CC(=C1)F)/C=C/[N+](=O)[O-]	NOXNBNYWEWJUTM-SNAWJCMRSA-N
DG63179	Dithiazanine iodide	5702697	"DITHIAZANINE IODIDE; 3,3'-Diethylthiadicarbocyanine iodide; Anguifugan; Dilombrine; Dithiazine; Abminthic; Anelmid; Dilombrin; Telmicid; Dizan; Partel; Telmid; 514-73-8; Diethylthiadicarbocyanine iodide; Omni-Passin; Dithiazanini iodidum; DEJO; DQOCI; Ioduro de ditiazanina; 3,3'-Diethyldithiacarbodicyanine iodide; Iodure de dithiazanine; Eastman 7663; Compound 01748; 3,3'-Diethylpentamethinethiacyanine iodide; MLS000069807; Dithiazanin iodide; CHEBI:228275; NSC-221154; SMR000059184; NK 136; 169736-34-9; 3,2'-thiadicarbocyanine iodide; (2-Bis(3-ethylbenzothiazolyl))pentamethine cyanine iodide; 3,3'-Diethyl-2,2'-thiadicarbocyanine iodide; L-01748; 3-Ethyl-2-(5-(3-ethyl-2-benzothiazolinylidene)-1,3-pentadienyl)benzothiazolium iodide; Benzothiazolium,3-pentadienyl]-, iodide; 3-ethyl-2-[(1E,3E)-5-[(2E)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium iodide; 3,3-Diethylthiadicarbocyanine iodide; [2-Bis(3-ethylbenzothiazolyl)]pentamethine cyanine iodide; WLN: T56 BNYSJ B2 CU2U2U1- CT56 BK DSJ B2 &I; C5-thiacyanine; 3-Ethyl-2-[5-(3-ethyl-2-benzothiazolinylidene)-1,3-pentadienyl]benzothiazolium iodide; Opera_ID_673; Thiadicarbocyanine (C5) dye; CHEMBL421701; NSC26010; NSC-26010; NSC221154; AKOS025116954; AS-75817; VU0254060-4; C18391; 3,3'-Diethylthiadicarbocyanine iodide, Dye content 98 %; 3-ethyl-2-[(1E,3E,5Z)-5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium iodide; 3-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	221154	.	.	.	.	518.5	C23H23IN2S2	60.7	537	.	28	0	4	5	"InChI=1S/C23H23N2S2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1"	CCN\\1C2=CC=CC=C2S/C1=C\\C=C\\C=C\\C3=[N+](C4=CC=CC=C4S3)CC.[I-]	MNQDKWZEUULFPX-UHFFFAOYSA-M
DG63180	5-[(Z)-1-chloro-2-phenyl-vinyl]-6-nitro-1-oxido-2-phenyl-indol-1-ium-3-one	5704789	NSC626402; CHEMBL2003203; ZINC1618582; AKOS004904640; NSC-626402; 5-[(Z)-1-chloro-2-phenyl-vinyl]-6-nitro-1-oxido-2-phenyl-indol-1-ium-3-one; 5-(1-Chloro-2-phenylvinyl)-1-hydroxy-6-(hydroxy(oxido)amino)-2-phenyl-3H-1lambda~5~-indol-3-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626402	.	.	.	.	404.8	C22H13ClN2O4	91.6	717	4.6	29	0	4	3	InChI=1S/C22H13ClN2O4/c23-18(11-14-7-3-1-4-8-14)16-12-17-19(13-20(16)25(28)29)24(27)21(22(17)26)15-9-5-2-6-10-15/h1-13H/b18-11-	C1=CC=C(C=C1)/C=C(/C2=C(C=C3C(=C2)C(=O)C(=[N+]3[O-])C4=CC=CC=C4)[N+](=O)[O-])\\Cl	TZHAJWKTJJMASZ-WQRHYEAKSA-N
DG63181	"1,2-dimethoxy-4-nitro-5-[(E)-2-nitroethenyl]benzene"	5705391	"1,2-dimethoxy-4-nitro-5-[(E)-2-nitroethenyl]benzene; 16551-84-1; NSC105307; SCHEMBL7631563; SCHEMBL7631569; ZINC1686240; 2,beta-Dinitro-4,5-dimethoxystyrene; ANM102934; STL364160; AKOS000268893; NSC-105307; 1,2-dimethoxy-4-nitro-5-[(E)-2-nitro-vinyl]-benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105307	.	.	.	.	254.2	C10H10N2O6	110	334	1.9	18	0	6	3	"InChI=1S/C10H10N2O6/c1-17-9-5-7(3-4-11(13)14)8(12(15)16)6-10(9)18-2/h3-6H,1-2H3/b4-3+"	COC1=C(C=C(C(=C1)/C=C/[N+](=O)[O-])[N+](=O)[O-])OC	LUCVJGSTUQBGFD-ONEGZZNKSA-N
DG63182	2'-Hydroxy-5'-methylchalcone	5708670	"2'-Hydroxy-5'-methylchalcone; 1-(2-hydroxy-5-methylphenyl)-3-phenylprop-2-en-1-one; 1775-98-0; (E)-1-(2-hydroxy-5-methylphenyl)-3-phenylprop-2-en-1-one; CHEMBL1999124; 2-Propen-1-one, 1-(2-hydroxy-5-methylphenyl)-3-phenyl-; NSC123794; 1-(2-hydroxy-5-methylphenyl)-3-phenyl-2-propen-1-one; SCHEMBL5450210; ZINC4252607; BDBM50440639; MFCD00270171; AKOS024286652; NSC 123794; NSC-123794; 52923-33-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123794	.	.	.	.	238.28	C16H14O2	37.3	302	4.3	18	1	2	3	"InChI=1S/C16H14O2/c1-12-7-9-15(17)14(11-12)16(18)10-8-13-5-3-2-4-6-13/h2-11,17H,1H3/b10-8+"	CC1=CC(=C(C=C1)O)C(=O)/C=C/C2=CC=CC=C2	BPAVQKLQOSHOPN-CSKARUKUSA-N
DG63183	"2',3,4-Trihydroxychalcone"	5709318	"2',3,4-Trihydroxychalcone; 6272-43-1; 3-(3,4-dihydroxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one; 3,4,2'-Trihydroxychalcone; CHEMBL339587; UNII-K2054N324R; (E)-3-(3,4-dihydroxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one; K2054N324R; NSC37433; 2',3,4-trihydroxy-trans-chalcone; MLS000738158; 2',3,4-Trihydroxychalkon [German]; NSC 37433; 2',3,4-Trihydroxychalkon; caffeoyl phenol; Chalcone, 2',3,4-trihydroxy-; 2'',3,4-trihydroxychalcone; cid_5709318; CHEBI:144742; HMS2756K08; ZINC5277875; BDBM50042982; LMPK12120197; MFCD00017394; NCGC00246936-01; SMR000393917; Q27891483; 3-(3,4-Dihydroxy-phenyl)-1-(2-hydroxy-phenyl)-propenone; (2E)-3-(3,4-DIHYDROXYPHENYL)-1-(2-HYDROXYPHENYL)PROP-2-EN-1-ONE; 2-Propen-1-one, 3-(3,4-dihydroxyphenyl)-1-(2-hydroxyphenyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37433	.	.	.	.	256.25	C15H12O4	77.8	339	3.2	19	3	4	3	"InChI=1S/C15H12O4/c16-12-4-2-1-3-11(12)13(17)7-5-10-6-8-14(18)15(19)9-10/h1-9,16,18-19H/b7-5+"	C1=CC=C(C(=C1)C(=O)/C=C/C2=CC(=C(C=C2)O)O)O	PSYVAIWGYVDYHN-FNORWQNLSA-N
DG63184	(E)-3-(4-(dimethylamino)phenyl)-2-(1-methyl-1H-benzo[d]imidazol-2-yl)acrylonitrile	5710552	"57319-78-5; (E)-3-(4-(dimethylamino)phenyl)-2-(1-methyl-1H-benzo[d]imidazol-2-yl)acrylonitrile; (2E)-3-[4-(dimethylamino)phenyl]-2-(1-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile; ZINC3899797; MFCD00703236; NSC748512; STL335698; AKOS000536734; NSC-748512; SR-01000458845; SR-01000458845-1; F0327-0176; (2E)-3-[4-(dimethylamino)phenyl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile; (E)-3-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile; 2-(1-Methyl-1H-benzoimidazole-2-yl)-3-(4-dimethylaminophenyl)propenenitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748512	.	.	.	.	302.4	C19H18N4	44.8	481	3.4	23	0	3	3	"InChI=1S/C19H18N4/c1-22(2)16-10-8-14(9-11-16)12-15(13-20)19-21-17-6-4-5-7-18(17)23(19)3/h4-12H,1-3H3/b15-12+"	CN1C2=CC=CC=C2N=C1/C(=C/C3=CC=C(C=C3)N(C)C)/C#N	QNTMIOYOSPBKQS-NTCAYCPXSA-N
DG63185	"3,4,5-Trimethoxybenzylidene acetophenone"	5712112	"3,4,5-Trimethoxybenzylidene acetophenone; (E)-1-phenyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one; 1-phenyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one; (2E)-1-phenyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one; NSC643180; 127034-55-3; CHEMBL61592; 60246-63-1; MLS003389220; MFCD00032179; 1-Phenyl-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one; MLS003370627; (E)-3,4,5-Trimethoxychalcone; CHEBI:92022; NSC96360; ZINC4996070; 3,4,5-Trimethoxystyrylphenyl ketone; BDBM50440642; NSC-96360; STK855125; 3,5-Trimethoxybenzylidene acetophenone; AKOS001096991; NSC-643180; NCGC00242335-01; SMR002044717; CS-0302565; VU0510065-1; 3-(3,4,5-trimethoxyphenyl)-1-phenylprop-2-en-1-one; F3139-0555"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643180	.	.	.	.	298.3	C18H18O4	44.8	359	3.6	22	0	4	6	"InChI=1S/C18H18O4/c1-20-16-11-13(12-17(21-2)18(16)22-3)9-10-15(19)14-7-5-4-6-8-14/h4-12H,1-3H3/b10-9+"	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=CC=CC=C2	MFDFEQQOFGIZAS-MDZDMXLPSA-N
DG63186	"2-Propen-1-one, 3-(1-naphthalenyl)-1-phenyl-"	5712119	"42299-49-0; 2-Propen-1-one, 3-(1-naphthalenyl)-1-phenyl-; (E)-3-naphthalen-1-yl-1-phenylprop-2-en-1-one; 3-(1-naphthyl)-1-phenylprop-2-en-1-one; 3-(1-naphthyl)-1-phenyl-2-propen-1-one; 3-(naphthalen-1-yl)-1-phenylprop-2-en-1-one; beta-(1-Naphthyl)acrylophenone; NSC39803; SCHEMBL979175; CHEMBL487217; SCHEMBL9584082; (E)-beta-(1-Naphthyl)acrylophenone; MFCD00205558; NSC-39803; ZINC16451240; AKOS022422217; AE-641/01606063"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39803	.	.	.	.	258.3	C19H14O	17.1	351	4.9	20	0	1	3	InChI=1S/C19H14O/c20-19(17-8-2-1-3-9-17)14-13-16-11-6-10-15-7-4-5-12-18(15)16/h1-14H/b14-13+	C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC3=CC=CC=C32	DUXOKTVNGKSFTK-BUHFOSPRSA-N
DG63187	1-(4-Methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one	5712222	1-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one; 57026-80-9; NSC640537; (E)-1-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one; 85507-69-3; 1-(4-Methylphenyl)3-(3-nitrophenyl)-2-propen-1-one; (E)-3-(3-nitrophenyl)-1-(p-tolyl)prop-2-en-1-one; CHEMBL1998311; SCHEMBL15807305; (2E)-1-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one; ZINC4289062; MFCD00017029; AKOS000956204; NSC-640537; A831451; (E)-3-(3-nitrophenyl)-1-p-tolylprop-2-en-1-one; 3-(3-(Hydroxy(oxido)amino)phenyl)-1-(4-methylphenyl)-2-propen-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640537	.	.	.	.	267.28	C16H13NO3	62.9	378	3.9	20	0	3	3	"InChI=1S/C16H13NO3/c1-12-5-8-14(9-6-12)16(18)10-7-13-3-2-4-15(11-13)17(19)20/h2-11H,1H3/b10-7+"	CC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]	SGCDUQWVNMXCOR-JXMROGBWSA-N
DG63188	[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] benzoate	5712309	MLS003107132; NSC201857; ZINC4299670; NSC-201857	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201857	.	.	.	.	346.4	C21H18N2O3	59.9	456	4.9	26	1	5	7	"InChI=1S/C21H18N2O3/c1-25-20-14-16(15-22-23-18-10-6-3-7-11-18)12-13-19(20)26-21(24)17-8-4-2-5-9-17/h2-15,23H,1H3/b22-15-"	COC1=C(C=CC(=C1)/C=N\\NC2=CC=CC=C2)OC(=O)C3=CC=CC=C3	BCKBXKGIFZTBHM-JCMHNJIXSA-N
DG63189	"N,N-Dimethyl-4-(2-(1-methyl-1lambda(5)-quinolin-2-yl)vinyl)aniline"	5713122	"3915-61-5; N,N-Dimethyl-4-(2-(1-methyl-1lambda(5)-quinolin-2-yl)vinyl)aniline; N,N-dimethyl-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]aniline; NSC4238; MLS000418387; SMR000264891; Quinolinium, 2-(p-dimethylaminostyryl)-1-methyl--iodide; NSC 4238; Bio1D10; SCHEMBL5675231; CHEMBL1615645; BDBM42063; cid_5713121; MCULE-8834877263; NCGC00184118-01; NCGC00184118-02; NCGC00184118-03; NCGC00184118-04; 2-Benzofurancarboxylic acid, 3-methyl-, ethyl ester; N,N-dimethyl-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]aniline; dimethyl-[4-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]phenyl]amine;iodide; N,N-Dimethyl-4-(2-(1-methyl-1lambda~5~-quinolin-2-yl)vinyl)aniline; N,N-dimethyl-4-[(E)-2-(1-methyl-2-quinolin-1-iumyl)ethenyl]aniline;iodide; N,N-dimethyl-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]aniline;iodide; N,N-Dimethyl-N-(4-(2-(1-methyl-1lambda~5~-quinolin-2-yl)vinyl)phenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4238	.	.	.	.	289.4	C20H21N2+	7.1	368	4.7	22	0	1	3	"InChI=1S/C20H21N2/c1-21(2)18-12-8-16(9-13-18)10-14-19-15-11-17-6-4-5-7-20(17)22(19)3/h4-15H,1-3H3/q+1"	C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)C	NEOWNATTXBQULQ-UHFFFAOYSA-N
DG63190	Cyto4F10	5715129	NSC143342; Cyto4F10; ZINC5085419; NSC-143342	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143342	.	.	.	.	301.14	C14H9BrN2O	56.4	499	3.4	18	1	3	1	"InChI=1S/C14H9BrN2O/c15-13-8-11(6-7-14(13)17-18)12(9-16)10-4-2-1-3-5-10/h1-8,18H/b12-11+,17-14-"	C1=CC=C(C=C1)/C(=C/2\\C=C/C(=N/O)/C(=C2)Br)/C#N	TYXFBKRRSUTTPT-VPJURZAQSA-N
DG63191	"(2Z)-2-[(4Z)-3-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-(4-chlorophenyl)acetonitrile"	5715133	MLS002703706; NSC102225; DTXSID00420825; ZINC100223223; NSC-102225	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102225	.	.	.	.	291.1	C14H8Cl2N2O	56.4	529	3.9	19	1	3	1	"InChI=1S/C14H8Cl2N2O/c15-11-4-1-9(2-5-11)12(8-17)10-3-6-14(18-19)13(16)7-10/h1-7,19H/b12-10+,18-14-"	C1=CC(=CC=C1/C(=C/2\\C=C/C(=N/O)/C(=C2)Cl)/C#N)Cl	KASFVGQOBYGUEY-ZOCPVQLTSA-N
DG63192	2-[3-(Benzothiazol-2-ylsulfanyl)-3-(4-methoxy-phenyl)-allyli dene]-malononitrile	5715272	NSC732122; ZINC12366839; NSC-732122; 2-[3-(Benzothiazol-2-ylsulfanyl)-3-(4-methoxy-phenyl)-allyli dene]-malononitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732122	.	.	.	.	375.5	C20H13N3OS2	123	631	5.3	26	0	6	5	"InChI=1S/C20H13N3OS2/c1-24-16-9-7-15(8-10-16)18(11-6-14(12-21)13-22)25-20-23-17-4-2-3-5-19(17)26-20/h2-11H,1H3/b18-11+"	COC1=CC=C(C=C1)/C(=C\\C=C(C#N)C#N)/SC2=NC3=CC=CC=C3S2	RDYSRPPSUCPBDW-WOJGMQOQSA-N
DG63193	"2,3-Bis(p-methoxyphenyl)acrylonitrile"	5716814	"6443-74-9; 2,3-Bis(p-methoxyphenyl)acrylonitrile; 2,3-Bis(4-methoxyphenyl)acrylonitrile; (Z)-2,3-bis(4-methoxyphenyl)prop-2-enenitrile; NSC23416; UNII-29D9UWI50A; CHEMBL82022; 2,3-bis(4-methoxyphenyl)prop-2-enenitrile; 29D9UWI50A; CHEBI:34226; (2Z)-2,3-bis(4-methoxyphenyl)prop-2-enenitrile; Benzeneacetonitrile,4-methoxy-a-[(4-methoxyphenyl)methylene]-; MLS002638941; NSC 23416; SCHEMBL6801712; SCHEMBL6801718; ZINC70439; HMS1529P01; BDBM50145703; NSC-23416; STL433577; 2,3-Di(4-methoxyphenyl)acrylonitrile; AKOS022022521; MCULE-3633407690; (Z)-alpha-Cyano-4,4'-dimethoxystilbene; NCGC00176158-01; (Z)-2,3-di(4-methoxyphenyl)acrylonitrile; (Z)-2,3-Bis(4-methoxyphenyl)acrylonitrile; (2z)-2,3-bis(4-methoxyphenyl)acrylonitrile; 2,3-Di(4-methoxyphenyl)acrylonitrile, (Z)-; (Z)-2,3-Bis-(4-methoxy-phenyl)-acrylonitrile; (Z)-1,2-bis(4-methoxyphenyl)-1-ethenyl cyanide; Q27115921; Benzeneacetonitrile, 4-methoxy-alpha-((4-methoxyphenyl)methylene)-, (alphaZ)-; 63785-34-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23416	.	.	.	.	265.31	C17H15NO2	42.2	366	3.6	20	0	3	4	"InChI=1S/C17H15NO2/c1-19-16-7-3-13(4-8-16)11-15(12-18)14-5-9-17(20-2)10-6-14/h3-11H,1-2H3/b15-11+"	COC1=CC=C(C=C1)/C=C(\\C#N)/C2=CC=C(C=C2)OC	GGSJIARERFIGST-RVDMUPIBSA-N
DG63194	"(2Z,4E)-2-(4-ethylphenyl)-5-phenylpenta-2,4-dienenitrile"	5716877	MLS003107150; NSC202003; HMS1529F03; ZINC1041663; NSC-202003; NCGC00176399-01; BRD-K72253399-001-01-0	.	.	Investigative Drug(s)	Investigative	Small molecular drug	202003	.	.	.	.	259.3	C19H17N	23.8	381	5.1	20	0	1	4	"InChI=1S/C19H17N/c1-2-16-11-13-18(14-12-16)19(15-20)10-6-9-17-7-4-3-5-8-17/h3-14H,2H2,1H3/b9-6+,19-10+"	CCC1=CC=C(C=C1)/C(=C/C=C/C2=CC=CC=C2)/C#N	RRVXLROTKAZPSF-AVSIYSEJSA-N
DG63195	"1,1'-Diethyl-2,2'-cyanine chloride"	5717105	"Diethylcyanine; 1,1'-Diethyl-2,2'-cyanine chloride; Pseudoisocyanine chloride; 2,2'-Quinocyanine chloride; 2402-42-8; N,N'-Diethylpseudoisocyanine chloride; 2,2'-Cyanine chloride; N,N'-Diethylpseudoisocyanine; Pseudoisocyanine diethyl chloride; CHEBI:38004; (2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline;chloride; 1-ethyl-2-[(1-ethyl-2(1H)-quinolinylidene)methyl]quinolinium chloride; NSC-97374; Quinolinium, 1-ethyl-2-((1-ethyl-2(1H)-quinolinylidene)methyl)-, chloride; MLS000532635; EINECS 219-279-7; NSC 97374; 1,2'-cyanine chloride; SMR000137574; CHEMBL576409; HMS2172F09; NSC97374; AKOS003601262; MCULE-7088248092; SR-01000391515; SR-01000391515-1; Q27117339; 1-Ethyl-2-((1-ethyl-1,2-dihydro-2-quinolylidene)methyl)quinoliniumchloride; 1-ethyl-2-{[1-ethylquinolin-2(1H)-ylidene]methyl}quinolinium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	97374	.	.	.	.	362.9	C23H23ClN2	7.1	464	.	26	0	2	3	"InChI=1S/C23H23N2.ClH/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1"	CCN1/C(=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41.[Cl-]	MHQOURYMHSSLDM-UHFFFAOYSA-M
DG63196	"2-(2,5-Dimethoxybenzylidene)-1-tetralone"	5730654	"NSC643025; 2-(2,5-Dimethoxybenzylidene)-1-tetralone; MLS003389213; CHEMBL1983552; ZINC1628696; NSC-643025"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643025	.	.	.	.	294.3	C19H18O3	35.5	428	4	22	0	3	3	"InChI=1S/C19H18O3/c1-21-16-9-10-18(22-2)15(12-16)11-14-8-7-13-5-3-4-6-17(13)19(14)20/h3-6,9-12H,7-8H2,1-2H3/b14-11+"	COC1=CC(=C(C=C1)OC)/C=C/2\\CCC3=CC=CC=C3C2=O	SUTYWHROSNPLDQ-SDNWHVSQSA-N
DG63197	Enviroxime	5748733	"ENVIROXIME; 72301-79-2; Viroxime; Viroxime component B; UNII-133013L556; NSC346230; (NE)-N-[(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-phenylmethylidene]hydroxylamine; NSC-346230; LY 122772; LY-122772; 133013L556; 63198-97-0; Enviroxima; Enviroximum; Enviroxime [USAN:INN]; Enviroximum [INN-Latin]; Enviroxima [INN-Spanish]; 1H-Benzimidazol-2-amine, 6-((E)-(hydroxyimino)phenylmethyl)-1-((1-methylethyl)sulfonyl)-; 2-Amino-6-[(E)-alpha-hydroxyiminobenzyl]-1-(isopropylsulfonyl)-1H-benzimidazole; NSC 346230; Lilly 122771-72; 1H-Benzimidazol-2-amine, 6-[(E)-(hydroxyimino)phenylmethyl]-1-[(1-methylethyl)sulfonyl]-; AR 336; (E)-2-Amino-6-benzoyl-1-(isopropylsulfonyl)benzimidazole oxime; Viroxime [USAN:INN]; Enviroxime (USAN/INN); SCHEMBL3585; CHEMBL283403; (2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-phenyl-methanone oxime; DTXSID40222628; (Z,E)-2-Amino-6-benzoyl-1-(isopropylsulfonyl)benzimidazol oxim; 2-Amino-1-(isopropylsulfonyl)-6-benzimidazole phenyl ketone oxime; AR-336; 1H-Benzimidazol-2-amine, 6-((hydroxyimino)phenylmethyl)-1-((1-methylethyl)sulfonyl)-, (E)-; 6-((Hydroxyimino)phenylmethyl)-1-((1-methylethyl)sulfonyl)-1H-benzimidazol-2-amine; D04012; Q27273110; UNII-I5V34WG2BE component IWKXBHQELWQLHF-CAPFRKAQSA-N; 1H-Benzimidazol-2-amine, 6-((hydroxyimino)phenylmethyl)-1-((1-methylethyl)sulfonyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	346230	.	.	.	.	358.4	C17H18N4O3S	119	596	3.1	25	2	6	4	"InChI=1S/C17H18N4O3S/c1-11(2)25(23,24)21-15-10-13(8-9-14(15)19-17(21)18)16(20-22)12-6-4-3-5-7-12/h3-11,22H,1-2H3,(H2,18,19)/b20-16+"	CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)/C(=N/O)/C3=CC=CC=C3)N=C1N	IWKXBHQELWQLHF-CAPFRKAQSA-N
DG63198	"(Z)-1,1,2,4,4-pentachloro-1,4-dinitro-but-2-ene"	5755978	"NSC665079; CHEMBL2002658; LETWWAASNMTWLI-UPHRSURJSA-; NSC-665079; 2-butene,1,2,4,4-pentachloro-1,4-dinitro-; (Z)-1,1,2,4,4-pentachloro-1,4-dinitro-but-2-ene; 2-Butene, 1,1,2,4,4-pentachloro-1,4-dinitro-, (2Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665079	.	.	.	.	318.3	C4HCl5N2O4	91.6	316	3.4	15	0	4	2	"InChI=1S/C4HCl5N2O4/c5-2(4(8,9)11(14)15)1-3(6,7)10(12)13/h1H/b2-1-"	C(=C(/C([N+](=O)[O-])(Cl)Cl)\\Cl)\\C([N+](=O)[O-])(Cl)Cl	LETWWAASNMTWLI-UPHRSURJSA-N
DG63199	N-[[4-(dimethylamino)benzylidene]amino]quinoline-3-carboxamide	5771657	MLS000756452; NSC201868; SMR000528740; NSC-201868; cid_305118; CHEMBL1998893; BDBM51253; CCG-37016; NCI201868; ZINC29589925; N-[[4-(dimethylamino)benzylidene]amino]quinoline-3-carboxamide; N-[[4-(dimethylamino)phenyl]methylideneamino]-3-quinolinecarboxamide; N-[[4-(dimethylamino)phenyl]methylideneamino]quinoline-3-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201868	.	.	.	.	318.4	C19H18N4O	57.6	443	3.2	24	1	4	4	"InChI=1S/C19H18N4O/c1-23(2)17-9-7-14(8-10-17)12-21-22-19(24)16-11-15-5-3-4-6-18(15)20-13-16/h3-13H,1-2H3,(H,22,24)/b21-12+"	CN(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3N=C2	GCGOWNLWEBLUMU-CIAFOILYSA-N
DG63200	"4,6-dimethyl-N-[(E)-(6-methylpyridin-2-yl)methylideneamino]quinolin-2-amine"	5771681	NSC332429; NSC-332429; CHEMBL1982349; 71508-78-6; ZINC7996562; CCG-36805; NCI332429	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332429	.	.	.	.	290.4	C18H18N4	50.2	383	4.5	22	1	4	3	"InChI=1S/C18H18N4/c1-12-7-8-17-16(9-12)13(2)10-18(21-17)22-19-11-15-6-4-5-14(3)20-15/h4-11H,1-3H3,(H,21,22)/b19-11+"	CC1=CC2=C(C=C1)N=C(C=C2C)N/N=C/C3=CC=CC(=N3)C	KDNFQYYVOLGCGG-YBFXNURJSA-N
DG63201	"Nicotinaldehyde 5H-(1,2,4)triazino(5,6-b)indol-3-ylhydrazone"	5771686	"NSC361672; 73718-28-2; Nicotinaldehyde 5H-(1,2,4)triazino(5,6-b)indol-3-ylhydrazone; Nicotinaldehyde 5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazone; NSC-361672; NSC 361672; CHEMBL1998156; SCHEMBL13772045; CCG-36804; NCI361672; STK865620; ZINC33849231; AKOS001681433; SR-01000086406; SR-01000086406-1; N-[(E)-3-pyridylmethyleneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine; 3-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-5H-[1,2,4]triazino[5,6-b]indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361672	.	.	.	.	289.29	C15H11N7	91.7	401	2	22	2	6	3	"InChI=1S/C15H11N7/c1-2-6-12-11(5-1)13-14(18-12)19-15(22-20-13)21-17-9-10-4-3-7-16-8-10/h1-9H,(H2,18,19,21,22)/b17-9+"	C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)N/N=C/C4=CN=CC=C4	RSFGPHAYVGOZNX-RQZCQDPDSA-N
DG63202	(E)-N-(4-amino-2-methylquinolin-6-yl)-3-(2-chlorophenyl)prop-2-enamide	5773323	TCMDC-139459; MLS000737665; SMR000393832; NSC33353; CHEMBL86464; BDBM55880; cid_5773323; HMS2773H21; ZINC13123398; (E)-N-(4-amino-2-methylquinolin-6-yl)-3-(2-chlorophenyl)prop-2-enamide; (E)-N-(4-Amino-2-methyl-6-quinolinyl)-2-chlorocinnamamide; (E)-N-(4-amino-2-methyl-6-quinolyl)-3-(2-chlorophenyl)acrylamide; (E)-N-(4-amino-2-methyl-6-quinolinyl)-3-(2-chlorophenyl)-2-propenamide; (E)-N-(4-azanyl-2-methyl-quinolin-6-yl)-3-(2-chlorophenyl)prop-2-enamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33353	.	.	.	.	337.8	C19H16ClN3O	68	470	3.8	24	2	3	3	"InChI=1S/C19H16ClN3O/c1-12-10-17(21)15-11-14(7-8-18(15)22-12)23-19(24)9-6-13-4-2-3-5-16(13)20/h2-11H,1H3,(H2,21,22)(H,23,24)/b9-6+"	CC1=CC(=C2C=C(C=CC2=N1)NC(=O)/C=C/C3=CC=CC=C3Cl)N	MLKVGBZASWPPOU-RMKNXTFCSA-N
DG63203	ethyl N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]carbamate	5774635	MLS000737635; NSC31703; CHEMBL1538850; HMS2742K05; NSC-31703; ZINC13123392; SMR000393805; 6324-80-7	.	.	Investigative Drug(s)	Investigative	Small molecular drug	31703	.	.	.	.	295.3	C18H17NO3	55.4	391	3.6	22	1	3	6	"InChI=1S/C18H17NO3/c1-2-22-18(21)19-16-11-9-15(10-12-16)17(20)13-8-14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,19,21)/b13-8+"	CCOC(=O)NC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2	VOVUAZLJXBOTCE-MDWZMJQESA-N
DG63204	Coumarin deriv	5776876	"COUMARIN DERIV; 51559-33-2; 7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]chromen-2-one; NSC356887; 2H-1-Benzopyran-2-one, 7-(((2E)-4-(2,5-dihydro-4-methyl-5-oxo-2-furanyl)-3-methyl-2-butenyl)oxy)-; Capnolactone; 2H-1-Benzopyran-2-one, 7-[[(2E)-4-(2,5-dihydro-4-methyl-5-oxo-2-furanyl)-3-methyl-2-butenyl]oxy]-; NSC 356887; MLS000863578; MEGxp0_000087; CHEMBL1348986; ACon1_000164; HMS2269F11; MCULE-7676960936; NSC-356887; NCGC00180819-01; SMR000440763; BRD-A96957441-001-01-8; 53771-63-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	356887	.	.	.	.	326.3	C19H18O5	61.8	601	3.7	24	0	5	5	"InChI=1S/C19H18O5/c1-12(9-16-10-13(2)19(21)23-16)7-8-22-15-5-3-14-4-6-18(20)24-17(14)11-15/h3-7,10-11,16H,8-9H2,1-2H3/b12-7+"	CC1=CC(OC1=O)C/C(=C/COC2=CC3=C(C=C2)C=CC(=O)O3)/C	CFNMUZCFSDMZPQ-KPKJPENVSA-N
DG63205	"Trimethyl 3-(4-methoxy-4-oxo-2-butenoyl)-7-azabicyclo[2.2.1]heptane-1,2,4-tricarboxylate"	5777548	"NSC625564; CHEMBL1979618; NSC-625564; Trimethyl 3-(4-methoxy-4-oxo-2-butenoyl)-7-azabicyclo[2.2.1]heptane-1,2,4-tricarboxylate; trimethyl 2-[(E)-4-methoxy-4-oxo-but-2-enoyl]-7-azabicyclo[2.2.1]heptane-1,3,4-tricarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625564	.	.	.	.	383.3	C17H21NO9	134	715	-0.7	27	1	10	10	"InChI=1S/C17H21NO9/c1-24-10(20)6-5-9(19)11-12(13(21)25-2)17(15(23)27-4)8-7-16(11,18-17)14(22)26-3/h5-6,11-12,18H,7-8H2,1-4H3/b6-5+"	COC(=O)/C=C/C(=O)C1C(C2(CCC1(N2)C(=O)OC)C(=O)OC)C(=O)OC	HGQDKBWAZANSIK-AATRIKPKSA-N
DG63206	"1-[(7E)-4-methyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone"	5778618	"NSC690751; CHEMBL1979912; NSC-690751; 1-[(7E)-4-methyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone; 2H-Indazole, 2-acetyl-3,3a,4,5,6,7-hexahydro-4-methyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylene]-, (7E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690751	.	.	.	.	524.6	C29H36N2O7	88	851	4.4	38	0	8	8	"InChI=1S/C29H36N2O7/c1-16-9-10-19(11-18-12-21(33-3)28(37-7)22(13-18)34-4)26-25(16)27(31(30-26)17(2)32)20-14-23(35-5)29(38-8)24(15-20)36-6/h11-16,25,27H,9-10H2,1-8H3/b19-11+"	CC1CC/C(=C\\C2=CC(=C(C(=C2)OC)OC)OC)/C3=NN(C(C13)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C	ZPAZFINDELEEPK-YBFXNURJSA-N
DG63207	2-hydroxy-N-[(E)-1-[6-[(E)-N-[(2-hydroxybenzoyl)amino]-C-methyl-carbonimidoyl]-2-pyridyl]ethylideneamino]benzamide	5779747	"NSC328567; NSC-328567; 2,6-Bis(1-salicyloylhydrazonoethyl)pyridine; H4DAPS; CHEMBL366684; ZINC8655184; NSC617573; NSC-617573; Benzoic acid, (2,6-pyridinediyldiethylidyne) dihydrazide; Benzoic acid, (2,6-pyridinediyldiethylidyne)hydrazide, dilithiumsalt; Benzoic acid, (2,6-pyridinediylidiethylidyne)dihydrazide, dilithium salt; N',N''-{Pyridine-2,6-diylbis[(1E)eth-1-yl-1-ylidene]}bis(2-hydroxybenzohydrazide); 2-hydroxy-N-[(E)-1-[6-[(E)-N-[(2-hydroxybenzoyl)amino]-C-methyl-carbonimidoyl]-2-pyridyl]ethylideneamino]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328567	.	.	.	.	431.4	C23H21N5O4	136	667	4.2	32	4	7	6	"InChI=1S/C23H21N5O4/c1-14(25-27-22(31)16-8-3-5-12-20(16)29)18-10-7-11-19(24-18)15(2)26-28-23(32)17-9-4-6-13-21(17)30/h3-13,29-30H,1-2H3,(H,27,31)(H,28,32)/b25-14+,26-15+"	C/C(=N\\NC(=O)C1=CC=CC=C1O)/C2=NC(=CC=C2)/C(=N/NC(=O)C3=CC=CC=C3O)/C	LZZXYEOYZNOUPB-LVSXPEEVSA-N
DG63208	"4-(2-(1-Piperidinyl)vinyl)benzo[g]quinoline-5,10-dione"	5781544	"NSC642968; MLS002701543; CHEMBL1895397; ZINC31840938; SMR001565144; 4-(2-(1-Piperidinyl)vinyl)benzo[g]quinoline-5,10-dione; 4-[(E)-2-(1-piperidyl)vinyl]benzo[g]quinoline-5,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642968	.	.	.	.	318.4	C20H18N2O2	50.3	524	3.5	24	0	4	2	"InChI=1S/C20H18N2O2/c23-19-15-6-2-3-7-16(15)20(24)18-17(19)14(8-10-21-18)9-13-22-11-4-1-5-12-22/h2-3,6-10,13H,1,4-5,11-12H2/b13-9+"	C1CCN(CC1)/C=C/C2=C3C(=NC=C2)C(=O)C4=CC=CC=C4C3=O	ZZOIBZBKTUIRIW-UKTHLTGXSA-N
DG63209	1-(m-tolyl)-3-[(Z)-[phenyl(2-pyridyl)methylene]amino]thiourea	5785686	NSC668327; CHEMBL2007292; ZINC1642869; NSC-668327; 1-(m-tolyl)-3-[(Z)-[phenyl(2-pyridyl)methylene]amino]thiourea; (Z)-Phenyl(2-pyridinyl)methanone N-(3-methylphenyl)thiosemicarbazone; 1-[(E)-alpha-(2-Pyridinyl)benzylidene]-4-(3-methylphenyl)thiosemicarbazide; 1-[Phenyl(2-pyridinyl)methylene]-4-(3-methylphenyl)thiosemicarbazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668327	.	.	.	.	346.5	C20H18N4S	81.4	459	4.7	25	2	3	4	"InChI=1S/C20H18N4S/c1-15-8-7-11-17(14-15)22-20(25)24-23-19(16-9-3-2-4-10-16)18-12-5-6-13-21-18/h2-14H,1H3,(H2,22,24,25)/b23-19-"	CC1=CC(=CC=C1)NC(=S)N/N=C(/C2=CC=CC=C2)\\C3=CC=CC=N3	CVSJWQHRYMFLAV-NMWGTECJSA-N
DG63210	"(6Z)-2-ethoxy-6-methoxyimino-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-3,17-diol"	5787497	"NSC683125; (6Z)-2-ethoxy-6-methoxyimino-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-3,17-diol; 2-Ethoxy-3,17-dihydroxyestra-1,3,5(10)-trien-6-one O-methyloxime"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683125	.	.	.	.	359.5	C21H29NO4	71.3	552	3.7	26	2	5	3	"InChI=1S/C21H29NO4/c1-4-26-19-11-13-12-7-8-21(2)16(5-6-20(21)24)14(12)9-17(22-25-3)15(13)10-18(19)23/h10-12,14,16,20,23-24H,4-9H2,1-3H3/b22-17-"	CCOC1=C(C=C2/C(=N\\OC)/CC3C(C2=C1)CCC4(C3CCC4O)C)O	UEBKXOVVEDPLRF-XLNRJJMWSA-N
DG63211	"2-(2,5-Trimethoxystyryl)benzothiazole"	5790338	"NSC263625; CHEMBL1995843; ZINC5130097; AKOS008687324; 2-(2,5-Trimethoxystyryl)benzothiazole; NSC-263625"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	263625	.	.	.	.	327.4	C18H17NO3S	68.8	406	4.6	23	0	5	5	"InChI=1S/C18H17NO3S/c1-20-14-11-16(22-3)15(21-2)10-12(14)8-9-18-19-13-6-4-5-7-17(13)23-18/h4-11H,1-3H3/b9-8+"	COC1=CC(=C(C=C1/C=C/C2=NC3=CC=CC=C3S2)OC)OC	JPYUAQHFVZDAOO-CMDGGOBGSA-N
DG63212	N-(((4-(Aminosulfonyl)-3-methylanilino)carbonyl)oxy)ethanimidoyl chloride	5790897	"NSC682830; CHEMBL1992950; NSC-682830; [(Z)-1-chloroethylideneamino] N-(3-methyl-4-sulfamoyl-phenyl)carbamate; N-(((4-(Aminosulfonyl)-3-methylanilino)carbonyl)oxy)ethanimidoyl chloride; Ethanimidoyl chloride, N-[[[[4-(aminosulfonyl)- 3-methylphenyl]amino]carbonyl]oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682830	.	.	.	.	305.74	C10H12ClN3O4S	119	460	1.5	19	2	6	4	"InChI=1S/C10H12ClN3O4S/c1-6-5-8(3-4-9(6)19(12,16)17)13-10(15)18-14-7(2)11/h3-5H,1-2H3,(H,13,15)(H2,12,16,17)/b14-7-"	CC1=C(C=CC(=C1)NC(=O)O/N=C(/C)\\Cl)S(=O)(=O)N	YUAZCMKFKLZBJO-AUWJEWJLSA-N
DG63213	(Z)-3-(2-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enenitrile	5793739	NSC130862; CHEMBL81627; MLS002920066; 3-(2-Methoxyphenyl)-2-(4-methoxyphenyl)acrylonitrile; HMS558A18; ZINC73020; CCG-628; (Z)-3-(2-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enenitrile; BDBM50145704; NSC-130862; (2z)-3-(2-methoxyphenyl)-2-(4-methoxyphenyl)acrylonitrile; (Z)-3-(2-Methoxy-phenyl)-2-(4-methoxy-phenyl)-acrylonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	130862	.	.	.	.	265.31	C17H15NO2	42.2	374	3.6	20	0	3	4	"InChI=1S/C17H15NO2/c1-19-16-9-7-13(8-10-16)15(12-18)11-14-5-3-4-6-17(14)20-2/h3-11H,1-2H3/b15-11+"	COC1=CC=C(C=C1)/C(=C/C2=CC=CC=C2OC)/C#N	BFRIYUWXCFCEOD-RVDMUPIBSA-N
DG63214	"1-[(2Z)-1-(4-chlorophenyl)sulfanyl-2-(3-imino-6-methyl-2H-1,2,4-triazin-5-ylidene)ethyl]naphthalen-2-ol"	5797894	"NSC698027; NSC-698027; 1-(1-((4-Chlorophenyl)thio)-2-(3-imino-6-methyl-3,4-dihydro-1,2,4-triazin-5(2H)-ylidene)ethyl)-2-naphthol; 1-[(2Z)-1-(4-chlorophenyl)sulfanyl-2-(3-imino-6-methyl-2H-1,2,4-triazin-5-ylidene)ethyl]naphthalen-2-ol; 3-Amino-6-methyl-4,5-dihydro-5-[2-[(4-chlorophenyl)thio]-2-(2-hydroxynaphthalene-1-yl)ethylidene]-1,2,4-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698027	.	.	.	.	422.9	C22H19ClN4OS	108	674	4.7	29	3	4	4	"InChI=1S/C22H19ClN4OS/c1-13-18(25-22(24)27-26-13)12-20(29-16-9-7-15(23)8-10-16)21-17-5-3-2-4-14(17)6-11-19(21)28/h2-12,20,28H,1H3,(H3,24,25,27)/b18-12-"	CC\\1=NNC(=N/C1=C\\C(C2=C(C=CC3=CC=CC=C32)O)SC4=CC=C(C=C4)Cl)N	PSDAYKPTEPNXQE-PDGQHHTCSA-N
DG63215	(E)-4-bromo-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one	5798653	NSC382770; CHEMBL1998819; ZINC1592438; NSC-382770	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382770	.	.	.	.	283.16	C13H15BrO2	26.3	263	3.4	16	0	2	4	"InChI=1S/C13H15BrO2/c1-13(2,14)12(15)9-6-10-4-7-11(16-3)8-5-10/h4-9H,1-3H3/b9-6+"	CC(C)(C(=O)/C=C/C1=CC=C(C=C1)OC)Br	BMAOFKCYLVTSMJ-RMKNXTFCSA-N
DG63216	"2-(2-(3,4-Dichlorophenyl)vinyl)-1,3-benzothiazole"	5798722	"NSC670685; CHEMBL1976593; ZINC16958684; NSC-670685; 2-[2-(3,4-dichlorophenyl)vinyl]benzothiazole; 2-(2-(3,4-Dichlorophenyl)vinyl)-1,3-benzothiazole; 2-[(E)-2-(3,4-dichlorophenyl)vinyl]-1,3-benzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670685	.	.	.	.	306.2	C15H9Cl2NS	41.1	336	5.9	19	0	2	2	InChI=1S/C15H9Cl2NS/c16-11-7-5-10(9-12(11)17)6-8-15-18-13-3-1-2-4-14(13)19-15/h1-9H/b8-6+	C1=CC=C2C(=C1)N=C(S2)/C=C/C3=CC(=C(C=C3)Cl)Cl	XCPIFYWAYGORLC-SOFGYWHQSA-N
DG63217	"1,7-Di(2-furyl)-1,6-heptadiene-3,5-dione"	5801551	"NSC666294; CHEMBL1967727; SCHEMBL16198044; BDBM50336255; NSC-666294; 1,7-Di(2-furyl)-1,6-heptadiene-3,5-dione; (1E,6E)-1,7-Bis(2-furyl)-1,6-heptadiene-3,5-dione; 1,7-Di(furan-2-yl)-5-hydroxyhepta-1,4,6-trien-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666294	.	.	.	.	256.25	C15H12O4	60.4	348	2.2	19	0	4	6	"InChI=1S/C15H12O4/c16-12(5-7-14-3-1-9-18-14)11-13(17)6-8-15-4-2-10-19-15/h1-10H,11H2/b7-5+,8-6+"	C1=COC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC=CO2	VVSPMCDLBJTCII-KQQUZDAGSA-N
DG63218	"1,1-bis(pyridin-2-ylmethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]thiourea"	5803652	"NSC689534; MLS002702386; NSC-689534; CHEMBL1975641; Hydrazinecarbothioamide,N-bis[(2-pyridinyl)methyl]-2-[(2-pyridinyl)methylene]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689534	.	.	.	.	362.5	C19H18N6S	98.4	437	2	26	1	5	6	"InChI=1S/C19H18N6S/c26-19(24-23-13-16-7-1-4-10-20-16)25(14-17-8-2-5-11-21-17)15-18-9-3-6-12-22-18/h1-13H,14-15H2,(H,24,26)/b23-13-"	C1=CC=NC(=C1)CN(CC2=CC=CC=N2)C(=S)N/N=C\\C3=CC=CC=N3	AEEZWHXVVXFVAD-QRVIBDJDSA-N
DG63219	"(E)-1-(2,4-dimethylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one"	5805594	"NSC636986; CHEMBL1971672; SCHEMBL11050675; (E)-1-(2,4-dimethylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one; STL192071; ZINC16957442; AKOS025268490; NSC-636986; 1-(2,4-Dimethylphenyl)-3-(2-hydroxyphenyl)-2-propen-1-one; (2E)-1-(2,4-dimethylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636986	.	.	.	.	252.31	C17H16O2	37.3	334	4.1	19	1	2	3	"InChI=1S/C17H16O2/c1-12-7-9-15(13(2)11-12)17(19)10-8-14-5-3-4-6-16(14)18/h3-11,18H,1-2H3/b10-8+"	CC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CC=C2O)C	UURALUILAZJMAY-CSKARUKUSA-N
DG63220	NSC664343	5807779	"1-(2,2-Dimethylcyclohexyl)-6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)-1-hexen-3-one (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone; NSC664343; CHEMBL1966089; NSC-664343; (E,4Z)-6-(2,2-dimethylcyclohexyl)-4-[(2,4-dinitrophenyl)hydrazono]-1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-2-ol; 1-(2,2-Dimethylcyclohexyl)-6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)-1-hexen-3-one (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664343	.	.	.	.	526.4	C21H24F6N4O5	136	849	7.3	36	2	13	6	"InChI=1S/C21H24F6N4O5/c1-18(2)10-4-3-5-13(18)6-7-14(12-19(32,20(22,23)24)21(25,26)27)28-29-16-9-8-15(30(33)34)11-17(16)31(35)36/h6-9,11,13,29,32H,3-5,10,12H2,1-2H3/b7-6+,28-14+"	CC1(CCCCC1/C=C/C(=N\\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/CC(C(F)(F)F)(C(F)(F)F)O)C	IVIYVFDVKAIWGC-UBSQDUIPSA-N
DG63221	"2,2',4'-Trihydroxychalcone"	5811533	"2,2',4'-Trihydroxychalcone; 26962-50-5; (E)-1-(2,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one; CHEMBL148472; 1-(2,4-Dihydroxyphenyl)-3-(2-hydroxyphenyl)-2-propen-1-one; 2',4',2-Trihydroxychalcone; 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)-; NSC636790; 2,4,2'-Trihydroxychalcone; CCRIS 9281; Acrylophenone, 2',4'-dihydroxy-3-(o-hydroxyphenyl)-; 2,4',6'-Trihydroxychalcone; Chalcone, 2,2',4'-trihydroxy-; ZINC4252709; 2,2',4'-Trihydroxy-trans-chalcone; BDBM50027475; MFCD00017717; AKOS024286651; 2,2'''',4''''-Trihydroxychalcone; NSC 636790; 2-MERCAPTOBENZOTHIAZOLESODIUMSALT; 2,2',4'-Trihydroxychalcone, AldrichCPR; 2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636790	.	.	.	.	256.25	C15H12O4	77.8	339	3.2	19	3	4	3	"InChI=1S/C15H12O4/c16-11-6-7-12(15(19)9-11)14(18)8-5-10-3-1-2-4-13(10)17/h1-9,16-17,19H/b8-5+"	C1=CC=C(C(=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O)O	MACMAADVRVVHBD-VMPITWQZSA-N
DG63222	2-((2-(Cinnamoyloxy)-4-(diethylamino)phenyl)diazenyl)-5-(hydroxy(oxido)amino)phenyl 3-phenylacrylate	5812861	NSC648071; SCHEMBL8977106; CHEMBL2002654; NSC-648071; [5-(diethylamino)-2-[(E)-[4-nitro-2-[(E)-3-phenylprop-2-enoyl]oxy-phenyl]azo]phenyl] (E)-3-phenylprop-2-enoate; 2-((2-(Cinnamoyloxy)-4-(diethylamino)phenyl)diazenyl)-5-(hydroxy(oxido)amino)phenyl 3-phenylacrylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648071	.	.	.	.	590.6	C34H30N4O6	126	1010	8.1	44	0	9	13	"InChI=1S/C34H30N4O6/c1-3-37(4-2)27-17-19-29(31(23-27)43-33(39)21-15-25-11-7-5-8-12-25)35-36-30-20-18-28(38(41)42)24-32(30)44-34(40)22-16-26-13-9-6-10-14-26/h5-24H,3-4H2,1-2H3/b21-15+,22-16+,36-35 "	CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])OC(=O)/C=C/C3=CC=CC=C3)OC(=O)/C=C/C4=CC=CC=C4	VFEIUJLBRFAALJ-SSYMMPMXSA-N
DG63223	Apaziquone	5813717	"Apaziquone; 114560-48-4; EOquin; EO-9; Qapzola; NSC-382459; NOR-701; UNII-H464ZO600O; 5-(aziridin-1-yl)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione; E-85/053; 141304-51-0; EO9; Apaziquonum; H464ZO600O; EO 9 (pharmaceutical); Apaziquone [USAN:INN]; Apaziquonum [INN-Latin]; E09; Neoquin; E 09; 5-Aziridin-1-yl-3-hydroxymethyl-2-((E)-3-hydroxy-propenyl)-1-methyl-1H-indole-4,7-dione; NSC 382459; Eoquin (TN); E-09; Apaziquone (USAN/INN); NSC 382456; 1H-Indole-4,7-dione, 5-(1-aziridinyl)-3-(hydroxymethyl)-2-[(1E)-3-hydroxy-1-propen-1-yl]-1-methyl-; (E)-5-(1-Azirinyl)-3-(hydroxymethyl)-2-(3-hydroxy-1-propenyl)-1-methyl-1H-indole-4,7-dione; 5-(Azridin-1-yl)-3-(hydroxymethyl)-2-((1E)-3-hydroxyprop-1-enyl)-methyl-1H-indole-4,7-dione; 1H-Indole-4,7-dione, 5-(1-aziridinyl)-3-(hydroxymethyl)-2-(3-hydroxy-1-propenyl)-1-methyl-, (E)-; CHEMBL73822; SCHEMBL367964; SCHEMBL367965; E-85/050; ANTINEOPLASTIC-382459; CHEBI:177558; ZINC1536777; N1,N6-Diethyl-3-methylhexanediamide; NSC382459; BCP9000309; DB12593; NSC-382456; 1H-Indole-4,7-dione, 5-(1-aziridinyl)-3-(hydroxymethyl)-2-((1E)-3-hydroxy-1-propenyl)-1-methyl-; CS-0006128; D02965; Q4779259; 1H-Indole-4, 5-(1-aziridinyl)-3-(hydroxymethyl)-2-(3-hydroxy-1-propenyl)-1-methyl-; 5-(aziridin-1-yl)-3-(hydroxymethyl)-2-(3-hydroxyprop-1-enyl)-1-methylindole-4,7-dione; 5-(1-Aziridinyl)-3-(hydroxymethyl)-2-[(1E)-3-hydroxy-1-propen-1-yl]-1-methyl-1H-indole-4,7-dione;"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382459	.	.	.	.	288.3	C15H16N2O4	82.5	524	-0.5	21	2	5	4	"InChI=1S/C15H16N2O4/c1-16-10(3-2-6-18)9(8-19)13-14(16)12(20)7-11(15(13)21)17-4-5-17/h2-3,7,18-19H,4-6,8H2,1H3/b3-2+"	CN1C(=C(C2=C1C(=O)C=C(C2=O)N3CC3)CO)/C=C/CO	MXPOCMVWFLDDLZ-NSCUHMNNSA-N
DG63224	"1-(2,6-Dichlorophenyl)-4-methylpent-1-en-3-one"	5817094	"NSC669739; 1-(2,6-dichlorophenyl)-4-methylpent-1-en-3-one; CHEMBL1985825; ZINC1643505; NSC-669739; (E)-1-(2,6-dichlorophenyl)-4-methyl-pent-1-en-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669739	.	.	.	.	243.13	C12H12Cl2O	17.1	238	4.3	15	0	1	3	"InChI=1S/C12H12Cl2O/c1-8(2)12(15)7-6-9-10(13)4-3-5-11(9)14/h3-8H,1-2H3/b7-6+"	CC(C)C(=O)/C=C/C1=C(C=CC=C1Cl)Cl	LMUXWATZTPXMQG-VOTSOKGWSA-N
DG63225	"1,7-Bis(2-hydroxyphenyl)-1,6-heptadiene-3,5-dione"	5825618	"NSC666295; 1,7-Bis(2-hydroxyphenyl)-1,6-heptadiene-3,5-dione; CHEMBL1983366; NSC-666295; (1E,6E)-1,7-Bis(2-hydroxyphenyl)-1,6-heptadiene-3,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666295	.	.	.	.	308.3	C19H16O4	74.6	424	3.3	23	2	4	6	"InChI=1S/C19H16O4/c20-16(11-9-14-5-1-3-7-18(14)22)13-17(21)12-10-15-6-2-4-8-19(15)23/h1-12,22-23H,13H2/b11-9+,12-10+"	C1=CC=C(C(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC=CC=C2O)O	DXORQEWMXKLOAN-WGDLNXRISA-N
DG63226	"(3Z)-5-fluoro-3-(3,4,5-trimethoxybenzylidene)-1,3-dihydro-2H-indol-2-one"	5829927	"NSC737698; ZINC20113990; AKOS001761970; NSC-737698; (3Z)-5-fluoro-3-(3,4,5-trimethoxybenzylidene)-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737698	.	.	.	.	329.3	C18H16FNO4	56.8	483	2.9	24	1	5	4	"InChI=1S/C18H16FNO4/c1-22-15-7-10(8-16(23-2)17(15)24-3)6-13-12-9-11(19)4-5-14(12)20-18(13)21/h4-9H,1-3H3,(H,20,21)/b13-6-"	COC1=CC(=CC(=C1OC)OC)/C=C\\2/C3=C(C=CC(=C3)F)NC2=O	XINISPIAUUKSSZ-MLPAPPSSSA-N
DG63227	4-Benzyl-1-morpholino-bicyclo[2.2.2]octan-3-one oxime	5831070	NSC666707; NSC-666707; 4-benzyl-1-morpholino-bicyclo[2.2.2]octan-3-one oxime; 1-Benzyl-4-(4-morpholinyl)bicyclo[2.2.2]octan-2-one oxime; 2-Bishydroxyimino-4-(4-morpholinyl)-1-phenylmethyl {bicyclo[2.2.2]octane}; 2-bishydroxyimino-4-(4-morpholinyl)-1-phenylmethyl bicyclo[2.2.2]octane	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666707	.	.	.	.	314.4	C19H26N2O2	45.1	442	2.5	23	1	4	3	"InChI=1S/C19H26N2O2/c22-20-17-15-19(21-10-12-23-13-11-21)8-6-18(17,7-9-19)14-16-4-2-1-3-5-16/h1-5,22H,6-15H2/b20-17+"	C1CC\\2(CCC1(C/C2=N\\O)N3CCOCC3)CC4=CC=CC=C4	ZYOIQHOYFRTVNC-LVZFUZTISA-N
DG63228	"2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile"	5831763	"2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile; 49581-08-0; NSC332172; (Z)-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile; MLS003170804; NSC 332172; HMS558M04; ZINC72222; CCG-301; AKOS022023303; MCULE-2343684491; alpha-(4-Methoxyphenyl)-3,4,5-trimethoxybenzeneacrylonitrile; (Z)-2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile; (Z)-1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl cyanide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332172	.	.	.	.	325.4	C19H19NO4	60.7	447	3.6	24	0	5	6	"InChI=1S/C19H19NO4/c1-21-16-7-5-14(6-8-16)15(12-20)9-13-10-17(22-2)19(24-4)18(11-13)23-3/h5-11H,1-4H3/b15-9+"	COC1=CC=C(C=C1)/C(=C/C2=CC(=C(C(=C2)OC)OC)OC)/C#N	TWQVQTHANQGUMN-OQLLNIDSSA-N
DG63229	"(E)-2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrofuran-2-yl)prop-2-enenitrile"	5832532	MLS002702436; NSC696921; CHEMBL1699908; CCG-36443; NSC-696921; SMR001565998	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696921	.	.	.	.	368.35	C16H16N8O3	163	706	1.6	27	1	10	3	"InChI=1S/C16H16N8O3/c1-9-7-16(2,3)23(22-9)15-20-13(19-14(18)21-15)10(8-17)6-11-4-5-12(27-11)24(25)26/h4-6H,7H2,1-3H3,(H2,18,19,20,21)/b10-6+"	CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)/C(=C/C3=CC=C(O3)[N+](=O)[O-])/C#N	CBLFDBYGRPRHBO-UXBLZVDNSA-N
DG63230	N-[(E)-1-pyrimidin-4-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide	5834397	MLS002702391; NSC689846; CHEMBL66382; ZINC5830975; CCG-102452; NSC-689846; N-[(E)-1-pyrimidin-4-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide; BRD-K93193246-001-01-8; 3-Aza-bicyclo[3.2.2]nonane-3-carbothioic acid (1-pyrimidin-4-yl-ethylidene)-hydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689846	.	.	.	.	303.4	C15H21N5S	85.5	389	2.1	21	1	4	2	"InChI=1S/C15H21N5S/c1-11(14-6-7-16-10-17-14)18-19-15(21)20-8-12-2-3-13(9-20)5-4-12/h6-7,10,12-13H,2-5,8-9H2,1H3,(H,19,21)/b18-11+"	C/C(=N\\NC(=S)N1CC2CCC(C1)CC2)/C3=NC=NC=C3	RVJBBAQRNVSEOO-WOJGMQOQSA-N
DG63231	"Thiourea, [4-(2-furanylmethyl)-5-thioxo-1,2,4-dithiazolidin-3-ylidene]dimethyl-"	5836849	"NSC622691; NSC-622691; CHEMBL2005038; Thiourea,2,4-dithiazolidin- 3-ylidene]dimethyl-; (3Z)-3-[4-(2-furylmethyl)-5-thioxo-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethyl-thiourea; Thiourea, [4-(2-furanylmethyl)-5-thioxo-1,2,4-dithiazolidin-3-ylidene]dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622691	.	.	.	.	317.5	C10H11N3OS4	147	385	2.4	18	0	5	2	"InChI=1S/C10H11N3OS4/c1-12(2)8(15)11-9-13(10(16)18-17-9)6-7-4-3-5-14-7/h3-5H,6H2,1-2H3/b11-9-"	CN(C)C(=S)/N=C\\1/N(C(=S)SS1)CC2=CC=CO2	FWHDXWLCPICIAQ-LUAWRHEFSA-N
DG63232	N'-[2-(3-chlorophenyl)-4-hydroxy-5-imino-2H-furan-3-yl]benzenesulfonohydrazide	5838810	"NSC640355; CHEMBL1989570; NSC-640355; NCI60_013463; N'-(2-(3-Chlorophenyl)-4-hydroxy-5-imino-2,5-dihydro-3-furanyl)benzenesulfonohydrazide; N'-[2-(3-chlorophenyl)-4-hydroxy-5-imino-2H-furan-3-yl]benzenesulfonohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640355	.	.	.	.	379.8	C16H14ClN3O4S	122	653	3.4	25	3	7	4	"InChI=1S/C16H14ClN3O4S/c17-11-6-4-5-10(9-11)15-13(14(21)16(18)24-15)19-20-25(22,23)12-7-2-1-3-8-12/h1-9,15,20-21H,18H2/b19-13-"	C1=CC=C(C=C1)S(=O)(=O)N/N=C/2\\C(OC(=C2O)N)C3=CC(=CC=C3)Cl	LZQIGXLVMGDFBQ-UYRXBGFRSA-N
DG63233	N-[(E)-(6-methylchromen-4-ylidene)amino]aniline	5838964	NSC601994; CHEMBL2000272; ZINC31792987; NSC-601994	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601994	.	.	.	.	250.29	C16H14N2O	33.6	358	4.1	19	1	3	2	"InChI=1S/C16H14N2O/c1-12-7-8-16-14(11-12)15(9-10-19-16)18-17-13-5-3-2-4-6-13/h2-11,17H,1H3/b18-15+"	CC1=CC\\2=C(C=C1)OC=C/C2=N\\NC3=CC=CC=C3	LGEVMCFFTMWWBP-OBGWFSINSA-N
DG63234	(E)-1-[4-(1H-benzimidazol-2-ylmethylamino)phenyl]-3-(4-bromophenyl)prop-2-en-1-one	5839697	NSC645070; CHEMBL1999277; NSC-645070; (E)-1-[4-(1H-benzimidazol-2-ylmethylamino)phenyl]-3-(4-bromophenyl)prop-2-en-1-one; 1-(4-((1H-Benzimidazol-2-ylmethyl)amino)phenyl)-3-(4-bromophenyl)-2-propen-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645070	.	.	.	.	432.3	C23H18BrN3O	57.8	538	5.5	28	2	3	6	"InChI=1S/C23H18BrN3O/c24-18-10-5-16(6-11-18)7-14-22(28)17-8-12-19(13-9-17)25-15-23-26-20-3-1-2-4-21(20)27-23/h1-14,25H,15H2,(H,26,27)/b14-7+"	C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)C(=O)/C=C/C4=CC=C(C=C4)Br	QRXHNKAPDYEQSJ-VGOFMYFVSA-N
DG63235	"1,1-dimethyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea"	5843399	"71555-14-1; NSC319725; KETONE, METHYL 2-PYRIDYL, 4,4-DIMETHYL-3-THIOSEMICARBAZONE; 1,1-dimethyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea; NSC 319725; BRN 1463083; Thiosemicarbazone R; Semicarbazide, 4,4-dimethyl-1-(1-(2-pyridyl)ethylidine)-3-thio-; CHEMBL223250; SCHEMBL5839502; SCHEMBL17207742; ZINC5648660; NSC-319725; 2-AcetylpyridineN,N-dimethylthiosemicarbazone; AI 3-63984; 2-acetylpyridine N,N-dimethylthiosemicarbazone; 1-(2-Pyridinyl)ethanone N,N-dimethylthiosemicarbazone; 1,1-dimethyl-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea; Hydrazinecarbothioamide,N-dimethyl- 2-[1-(2-pyridinyl)ethylidene]-; N,N-Dimethyl-2-(1-(pyridin-2-yl)ethylidene)hydrazine-1-carbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319725	.	.	.	.	222.31	C10H14N4S	72.6	250	1.3	15	1	3	2	"InChI=1S/C10H14N4S/c1-8(9-6-4-5-7-11-9)12-13-10(15)14(2)3/h4-7H,1-3H3,(H,13,15)/b12-8+"	C/C(=N\\NC(=S)N(C)C)/C1=CC=CC=N1	ZMZIYBQONAEPNV-XYOKQWHBSA-N
DG63236	Trans-combretastatin A-4 phosphate (*disodium salt*)	5844922	"NSC643812; Trans-combretastatin A-4 phosphate (*disodium salt*); Trans-combretastatin A-4 prodrug; Trans-combretastatin A-4 phosphate; ZINC16957840; Trans-combretastatin A-4 prodrug (*disodium salt*); [2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]phenyl] dihydrogen phosphate; 2-Methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl dihydrogen phosphate-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643812	.	.	.	.	396.3	C18H21O8P	104	508	2.4	27	2	8	8	"InChI=1S/C18H21O8P/c1-22-14-8-7-12(9-15(14)26-27(19,20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11H,1-4H3,(H2,19,20,21)/b6-5+"	COC1=C(C=C(C=C1)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)OP(=O)(O)O	WDOGQTQEKVLZIJ-AATRIKPKSA-N
DG63237	"3-(2,5-Dimethoxyphenyl)-2-phenylacrylonitrile"	5846238	"NSC643023; .alpha.-Phenyl-2,5-dimethoxy-.alpha.-cinnamonitrile; ZINC405846; AKOS023198113; 3-(2,5-Dimethoxyphenyl)-2-phenylacrylonitrile; 3-(2,5-DIMETHOXY-PHENYL)-2-PHENYL-ACRYLONITRILE; (Z)-3-(2,5-dimethoxyphenyl)-2-phenyl-prop-2-enenitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643023	.	.	.	.	265.31	C17H15NO2	42.2	376	3.6	20	0	3	4	"InChI=1S/C17H15NO2/c1-19-16-8-9-17(20-2)14(11-16)10-15(12-18)13-6-4-3-5-7-13/h3-11H,1-2H3/b15-10+"	COC1=CC(=C(C=C1)OC)/C=C(\\C#N)/C2=CC=CC=C2	WLAGJFNKKJZPFZ-XNTDXEJSSA-N
DG63238	"(6Z)-6-[(2-methoxyphenyl)methylene]-3-(3-nitrophenyl)thiazolo[2,3-b]thiazol-4-ium-5-one"	5847653	"NSC657446; CHEMBL2007799; ZINC16958316; (6Z)-6-[(2-methoxyphenyl)methylene]-3-(3-nitrophenyl)thiazolo[2,3-b]thiazol-4-ium-5-one; 5-(3-(Hydroxy(oxido)amino)phenyl)-2-(2-methoxybenzylidene)-4lambda~5~-[1,3]thiazolo[2,3-b][1,3]thiazol-3(2H)-one hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657446	.	.	.	.	397.5	C19H13N2O4S2+	130	623	5.2	27	0	6	3	"InChI=1S/C19H13N2O4S2/c1-25-16-8-3-2-5-13(16)10-17-18(22)20-15(11-26-19(20)27-17)12-6-4-7-14(9-12)21(23)24/h2-11H,1H3/q+1/b17-10-"	COC1=CC=CC=C1/C=C\\2/C(=O)[N+]3=C(S2)SC=C3C4=CC(=CC=C4)[N+](=O)[O-]	QNNDGMQHGWTLRO-YVLHZVERSA-N
DG63239	[(Z)-1-chloroethylideneamino] N-(4-nitrophenyl)carbamate	5847980	NSC672043; [(Z)-1-chloroethylideneamino] N-(4-nitrophenyl)carbamate; ZINC73409369; N-(((4-(Hydroxy(oxido)amino)anilino)carbonyl)oxy)ethanimidoyl chloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672043	.	.	.	.	257.63	C9H8ClN3O4	96.5	321	2.4	17	1	5	3	"InChI=1S/C9H8ClN3O4/c1-6(10)12-17-9(14)11-7-2-4-8(5-3-7)13(15)16/h2-5H,1H3,(H,11,14)/b12-6-"	C/C(=N/OC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])/Cl	FUBOKEYHEDZUPI-SDQBBNPISA-N
DG63240	"2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5-[(E)-3-oxo-3-methoxy-1-propenyl]-7-hydroxybenzofuran-3-carboxylic acid methyl ester"	5857314	"dihydrobezofuran; CHEMBL491738; SCHEMBL22409454; NSC787794; NSC787798; NSC-787794; NSC-787798; 2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5-[(E)-3-oxo-3-methoxy-1-propenyl]-7-hydroxybenzofuran-3-carboxylic acid methyl ester; methyl (e)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxycarbonyl-2,3-dihydro-1-benzofuran-5yl]prop-2-enoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787794	.	.	.	.	386.4	C20H18O8	123	605	2.2	28	3	8	6	"InChI=1S/C20H18O8/c1-26-16(24)6-3-10-7-12-17(20(25)27-2)18(28-19(12)15(23)8-10)11-4-5-13(21)14(22)9-11/h3-9,17-18,21-23H,1-2H3/b6-3+"	COC(=O)/C=C/C1=CC2=C(C(=C1)O)OC(C2C(=O)OC)C3=CC(=C(C=C3)O)O	HDONJQIYHGHIJV-ZZXKWVIFSA-N
DG63241	"1-bromo-2,3-dimethoxy-5-[(E)-2-nitroethenyl]benzene"	5858115	"NSC365712; 54291-90-6; 1-bromo-2,3-dimethoxy-5-[(E)-2-nitroethenyl]benzene; SCHEMBL21693980; DTXSID10421166; ZINC1585858; ANM100429; NSC-365712; Benzene,3-dimethoxy-5-(2-nitroethenyl)-; 1-bromo-2,3-dimethoxy-5-[(E)-2-nitrovinyl]benzene; 1-Bromo-2,3-dimethoxy-5-((E)-2-nitro-vinyl)-benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	365712	.	.	.	.	288.09	C10H10BrNO4	64.3	266	2.8	16	0	4	3	"InChI=1S/C10H10BrNO4/c1-15-9-6-7(3-4-12(13)14)5-8(11)10(9)16-2/h3-6H,1-2H3/b4-3+"	COC1=C(C(=CC(=C1)/C=C/[N+](=O)[O-])Br)OC	DVEVFGAGQYOEPX-ONEGZZNKSA-N
DG63242	1-(1-Naphthylmethylene)-4-(1-naphthyl)semicarbazide	5859414	NSC680931; CHEMBL2004723; NSC-680931; 1-(1-Naphthylmethylene)-4-(1-naphthyl)semicarbazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680931	.	.	.	.	339.4	C22H17N3O	53.5	506	5.1	26	2	2	3	"InChI=1S/C22H17N3O/c26-22(24-21-14-6-10-17-8-2-4-13-20(17)21)25-23-15-18-11-5-9-16-7-1-3-12-19(16)18/h1-15H,(H2,24,25,26)/b23-15-"	C1=CC=C2C(=C1)C=CC=C2/C=N\\NC(=O)NC3=CC=CC4=CC=CC=C43	KCIYPIOXTPXJDX-HAHDFKILSA-N
DG63243	"[(8Z)-3,8-dimethyl-12-methylidene-13-oxo-4,14-dioxatricyclo[9.3.0.03,5]tetradec-8-en-10-yl] acetate"	5860420	"NSC22070; 28272-18-6; 4,10a-Dimethyl-7-methylene-8-oxo-1a,2,3,6,6a,7,8,9a,10,10a-decahydrooxireno[2',3':8,9]cyclodeca[1,2-b]furan-6-yl acetate; Germacra-4,11(13)-dien-12-oic acid, 1.alpha., 10.alpha.-epoxy-6,8.beta.-dihydroxy-, 12,8-lactone, acetate; Germacra-4,11(13)-dien-12-oic acid, 1.beta.,10-epoxy-6.alpha., 8.alpha.-dihydroxy-, 12,8-lactone, acetate, (E)-; Oxireno[8,9]cyclodeca[1,2-b]furan-8(2H)-one, 6-(acetyloxy)-1a,3,6,6a,7,9a, 10,10a-octahydro-4,10a-dimethyl-7-methylene-, [1aR-(1aR*,4E,6R*,6aR*,9aS*,10aR*)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	22070	.	.	.	.	306.4	C17H22O5	65.099	563	1.8	22	0	5	2	"InChI=1S/C17H22O5/c1-9-5-6-14-17(4,22-14)8-13-15(10(2)16(19)21-13)12(7-9)20-11(3)18/h7,12-15H,2,5-6,8H2,1,3-4H3/b9-7-"	C/C/1=C/C(C2C(CC3(C(O3)CC1)C)OC(=O)C2=C)OC(=O)C	JJMLQAVFDJXJAL-CLFYSBASSA-N
DG63244	"[(E)-3-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)prop-1-enyl]benzene"	5860626	NSC26113; MLS000738052; CHEMBL1460639; HMS2752I13; NSC-26113; ZINC17465832; SMR000393725; 61355-19-9	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26113	.	.	.	.	318	C14H8Cl4	0	422	5.5	18	0	0	2	InChI=1S/C14H8Cl4/c15-11-10(12(16)14(18)13(11)17)8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+	C1=CC=C(C=C1)/C=C/C=C2C(=C(C(=C2Cl)Cl)Cl)Cl	RKERNVBCOIOPFR-QPJJXVBHSA-N
DG63245	"1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-(4-methylphenyl)-2-propen-1-one"	5864101	"NSC-640583; NSC640583; CHEMBL1287895; 1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-(4-methylphenyl)-2-propen-1-one; BDBM50332212; ZINC16957625; (E)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-(p-tolyl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640583	.	.	.	.	461.6	C29H23N3OS	76	694	7.4	34	0	4	6	"InChI=1S/C29H23N3OS/c1-20-13-15-22(16-14-20)17-18-27(33)28-21(2)30-29(34-28)32-26(24-11-7-4-8-12-24)19-25(31-32)23-9-5-3-6-10-23/h3-19H,1-2H3/b18-17+"	CC1=CC=C(C=C1)/C=C/C(=O)C2=C(N=C(S2)N3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C	HDPZGEIGUACCAU-ISLYRVAYSA-N
DG63246	N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]pyridine-3-carboxamide	5867877	"MLS002695042; Nicotinic acid, [p-[bis(2-chloroethyl)amino]benzylidene]hydrazide; NSC90904; ZINC1581243; NSC-90904; 16230-80-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90904	.	.	.	.	365.3	C17H18Cl2N4O	57.6	394	3.1	24	1	4	8	"InChI=1S/C17H18Cl2N4O/c18-7-10-23(11-8-19)16-5-3-14(4-6-16)12-21-22-17(24)15-2-1-9-20-13-15/h1-6,9,12-13H,7-8,10-11H2,(H,22,24)/b21-12-"	C1=CC(=CN=C1)C(=O)N/N=C\\C2=CC=C(C=C2)N(CCCl)CCCl	COVXLRKMGDYPCL-MTJSOVHGSA-N
DG63247	4-(2-(4-(Dimethylamino)phenyl)vinyl)-8-quinolinol	5868340	NSC240579; 796-46-3; 4-(2-(4-(Dimethylamino)phenyl)vinyl)-8-quinolinol; 4-(4-(Dimethylamino)styryl)quinolin-8-ol; MLS003115222; NSC 240579; SCHEMBL4465399; CHEMBL2360196; ZINC6375065; NSC-240579; NCGC00184013-01; NCGC00184013-02; NCGC00184013-03; NCGC00184013-04; NCGC00184013-05; 4-[(E)-2-(4-dimethylaminophenyl)vinyl]quinolin-8-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	240579	.	.	.	.	290.4	C19H18N2O	36.4	374	4.4	22	1	3	3	"InChI=1S/C19H18N2O/c1-21(2)16-10-7-14(8-11-16)6-9-15-12-13-20-19-17(15)4-3-5-18(19)22/h3-13,22H,1-2H3/b9-6+"	CN(C)C1=CC=C(C=C1)/C=C/C2=C3C=CC=C(C3=NC=C2)O	OSSROFZTGSSYNR-RMKNXTFCSA-N
DG63248	"Hydrazinecarbothioamide,N-dihexyl-2-[1-(2-pyridyl)ethylidene]-"	5868935	"NSC647131; CHEMBL1998848; NSC-647131; Hydrazinecarbothioamide,N-dihexyl- 2-[1-(2-pyridyl)ethylidene]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647131	.	.	.	.	362.6	C20H34N4S	72.6	372	5.9	25	1	3	12	"InChI=1S/C20H34N4S/c1-4-6-8-12-16-24(17-13-9-7-5-2)20(25)23-22-18(3)19-14-10-11-15-21-19/h10-11,14-15H,4-9,12-13,16-17H2,1-3H3,(H,23,25)/b22-18+"	CCCCCCN(CCCCCC)C(=S)N/N=C(\\C)/C1=CC=CC=N1	DQXBTMPMUFTBIN-RELWKKBWSA-N
DG63249	NSC668491	5869044	"1-(2-methoxyphenyl)-3-[(Z)-1-[6-[(Z)-N-[(2-methoxyphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]-2-pyridyl]ethylideneamino]thiourea; NSC668491; NSC-668491; 1-(2-methoxyphenyl)-3-[(Z)-1-[6-[(Z)-N-[(2-methoxyphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]-2-pyridyl]ethylideneamino]thiourea; Hydrazinecarbothioamide, 2,2'-[2,6-pyridinediyldi(1Z)ethylidyne]bis[N-(2-methoxyphenyl)-, (2Z,2'Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668491	.	.	.	.	521.7	C25H27N7O2S2	168	732	4.4	36	4	7	8	"InChI=1S/C25H27N7O2S2/c1-16(29-31-24(35)27-20-10-5-7-14-22(20)33-3)18-12-9-13-19(26-18)17(2)30-32-25(36)28-21-11-6-8-15-23(21)34-4/h5-15H,1-4H3,(H2,27,31,35)(H2,28,32,36)/b29-16-,30-17-"	C/C(=N/NC(=S)NC1=CC=CC=C1OC)/C2=NC(=CC=C2)/C(=N\\NC(=S)NC3=CC=CC=C3OC)/C	SDKLFDOIAQBKJQ-MALYEEFDSA-N
DG63250	N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]quinoxalin-2-amine	5869744	NSC693626; ZINC31896469; NSC-693626	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693626	.	.	.	.	325.4	C20H15N5	63.1	445	4.3	25	1	5	4	"InChI=1S/C20H15N5/c1-2-8-15(9-3-1)20(18-12-6-7-13-21-18)25-24-19-14-22-16-10-4-5-11-17(16)23-19/h1-14H,(H,23,24)/b25-20-"	C1=CC=C(C=C1)/C(=N/NC2=NC3=CC=CC=C3N=C2)/C4=CC=CC=N4	ABENIOILAHIGEQ-QQTULTPQSA-N
DG63251	"2,2-Bis(trifluoromethyl)-4-tetrahydrofuranone oxime"	5870156	"NSC664958; 2,2-Bis(trifluoromethyl)-4-tetrahydrofuranone oxime; CHEMBL1990577; 3(2H)-FURANONE, 4,5-DIHYDRO-5,5-BIS(TRIFLUOROMETHYL)-, OXIME; ZINC100467961; NSC-664958; 5,5-bis(trifluoromethyl)tetrahydrofuran-3-one oxime; 5,5-Bis(trifluoromethyl)dihydro-3(2H)-furanone oxime; 5,5-Bis(trifluoromethyl)-4,5-dihydro-3(2H)-furanone oxime; 101833-14-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664958	.	.	.	.	237.1	C6H5F6NO2	41.8	266	2	15	1	9	0	"InChI=1S/C6H5F6NO2/c7-5(8,9)4(6(10,11)12)1-3(13-14)2-15-4/h14H,1-2H2/b13-3+"	C1/C(=N\\O)/COC1(C(F)(F)F)C(F)(F)F	HTRRXCXXRORWGE-QLKAYGNNSA-N
DG63252	1-cyclohexyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]thiourea	5871897	NSC689540; CHEMBL1965947; NSC-689540; (E)-Phenyl(2-pyridinyl)methanone N-cyclohexylthiosemicarbazone; 1-cyclohexyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689540	.	.	.	.	338.5	C19H22N4S	81.4	425	4.6	24	2	3	4	"InChI=1S/C19H22N4S/c24-19(21-16-11-5-2-6-12-16)23-22-18(15-9-3-1-4-10-15)17-13-7-8-14-20-17/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H2,21,23,24)/b22-18+"	C1CCC(CC1)NC(=S)N/N=C(\\C2=CC=CC=C2)/C3=CC=CC=N3	QRVOKRYDDPQVGY-RELWKKBWSA-N
DG63253	1-Formylisoquinoline thiosemicarbazone	5874389	"1-Formylisoquinoline thiosemicarbazone; 2365-26-6; [(Z)-isoquinolin-1-ylmethylideneamino]thiourea; EB-VII-93; ISOQUINALDALDEHYDE, THIOSEMICARBAZONE; Isoquinoline-1-formyl thiosemicarbazone; Isoquinaldehyde thiosemicarbazone; MLS002702043; NSC 92188; AI3-51873; 2-(1-Isoquinolinylmethylene)hydrazinecarbothioamide; 2-(Isoquinolin-1-ylmethylene)hydrazinecarbothioamide; (E)-2-(Isoquinolin-1-ylmethylene)hydrazinecarbothioamide; CHEMBL1976175; 61043-12-7; ZINC1598048; NSC162700; NSC-162700; [(Z)-1-isoquinolylmethyleneamino]thiourea; 61043-13-8; [(isoquinolin-1-ylmethylidene)amino]thiourea; Hydrazinecarbothioamide, 2-(1-isoquinolinylmethylene)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	162700	.	.	.	.	230.29	C11H10N4S	95.4	279	1.7	16	2	3	2	"InChI=1S/C11H10N4S/c12-11(16)15-14-7-10-9-4-2-1-3-8(9)5-6-13-10/h1-7H,(H3,12,15,16)/b14-7-"	C1=CC=C2C(=C1)C=CN=C2/C=N\\NC(=S)N	FQWITMQQUMTMRE-AUWJEWJLSA-N
DG63254	"Barbituric acid, 5-[3-(4-methoxyphenyl)-2-propenylidene]-2-thio-"	5874667	"MLS002702351; NSC684569; CHEMBL1714230; SCHEMBL14713027; ZINC6404155; NSC-684569; SMR001565913; Barbituric acid, 5-[3-(4-methoxyphenyl)- 2-propenylidene]-2-thio-; 4,5H)-Pyrimidinedione, dihydro-5-[3-(4-methoxyphenyl)-2-propenylidene]-2-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684569	.	.	.	.	288.32	C14H12N2O3S	99.5	455	2.2	20	2	4	3	"InChI=1S/C14H12N2O3S/c1-19-10-7-5-9(6-8-10)3-2-4-11-12(17)15-14(20)16-13(11)18/h2-8H,1H3,(H2,15,16,17,18,20)/b3-2+"	COC1=CC=C(C=C1)/C=C/C=C2C(=O)NC(=S)NC2=O	ICKKPRWZHMGDPZ-NSCUHMNNSA-N
DG63255	"2,4,7-trinitro-N-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)amino]fluoren-9-imine"	5876263	"NSC658140; CHEMBL1969534; ZINC150441127; NSC-658140; 2,4,7-trinitro-N-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)amino]fluoren-9-imine; 2,4,7-Tris(hydroxy(oxido)amino)-9H-fluoren-9-one (2,4,7-tris(hydroxy(oxido)amino)-9H-fluoren-9-ylidene)hydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658140	.	.	.	.	626.4	C26H10N8O12	300	1290	5.5	46	0	14	1	"InChI=1S/C26H10N8O12/c35-29(36)11-1-3-15-17(5-11)25(19-7-13(31(39)40)9-21(23(15)19)33(43)44)27-28-26-18-6-12(30(37)38)2-4-16(18)24-20(26)8-14(32(41)42)10-22(24)34(45)46/h1-10H/b27-25-,28-26-"	C1=CC2=C(/C(=N/N=C/3\\C4=C(C(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C5=C3C=C(C=C5)[N+](=O)[O-])/C6=C2C(=CC(=C6)[N+](=O)[O-])[N+](=O)[O-])C=C1[N+](=O)[O-]	DRNIVEDTEVAGKO-LBXGSASVSA-N
DG63256	(3-bromophenyl) (E)-3-phenylprop-2-enoate	5876919	NSC700124; (3-bromophenyl) (E)-3-phenylprop-2-enoate; 3-Bromophenyl 3-phenylacrylate; CHEMBL1991817; NSC-700124	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700124	.	.	.	.	303.15	C15H11BrO2	26.3	295	4.4	18	0	2	4	InChI=1S/C15H11BrO2/c16-13-7-4-8-14(11-13)18-15(17)10-9-12-5-2-1-3-6-12/h1-11H/b10-9+	C1=CC=C(C=C1)/C=C/C(=O)OC2=CC(=CC=C2)Br	NSOCAUIOUMJWRD-MDZDMXLPSA-N
DG63257	NSC155619	5878476	"Methyl 5-(((2,3-dimethyl-2-oxiranyl)carbonyl)oxy)-4-hydroxy-10-methyl-6-methylene-7-oxo-1a,4,5,5a,6,7,8a,10a-octahydrooxireno(2',3':7,8)cyclodeca(1,2-b)furan-3-carboxylate; Melampodin A; Methyl 5-(((2,3-dimethyl-2-oxiranyl)carbonyl)oxy)-4-hydroxy-10-methyl-6-methylene-7-oxo-1a,4,5,5a,6,7,8a,10a-octahydrooxireno(2',3':7,8)cyclodeca(1,2-b)furan-3-carboxylate; 35852-26-7; NSC155619; Methyl 5-(((2,3-dimethyl-2-oxiranyl)carbonyl)oxy)-4-hydroxy-10-methyl-6-methylene-7-oxo-1a,4,5,5a,6,7,8a,10a-octahydrooxireno[2',3':7,8]cyclodeca[1,2-b]furan-3-carboxylate; NSC 155619; Oxireno[7,8]cyclodeca[1,2-b]furan-3-carboxylic acid, 5-[[(2,3-dimethyloxiranyl)carbonyl]oxy]-1a,4,5,5a,6,7,8a,10a-octahydro-4-hydroxy-10-methyl-6-methylene-7-oxo-, methyl ester, [1aR-[1aR*,2E,4S*,5S*(2R*,3R*),5aS*,8aR*,9E,10aS*]]-; methyl (2,3-dimethyloxirane-2-carbonyl)oxy-hydroxy-methyl-methylene-oxo-[ ]carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	155619	.	.	.	.	420.4	C21H24O9	124	887	0.6	30	1	9	5	"InChI=1S/C21H24O9/c1-8-6-12-14(9(2)18(23)28-12)17(29-20(25)21(4)10(3)30-21)15(22)11(19(24)26-5)7-13-16(8)27-13/h6-7,10,12-17,22H,2H2,1,3-5H3/b8-6-,11-7+"	CC1C(O1)(C)C(=O)OC2C3C(/C=C(\\C4C(O4)/C=C(\\C2O)/C(=O)OC)/C)OC(=O)C3=C	ZFFQDPLDTMMAKO-FAWHLJIPSA-N
DG63258	3-(2-Hydroxy-1-naphthyl)-1-phenyl-2-propen-1-one	5879764	NSC636791; CHEMBL2002708; ZINC6514537; NSC-636791; 3-(2-Hydroxy-1-naphthyl)-1-phenyl-2-propen-1-one; (E)-3-(2-hydroxy-1-naphthyl)-1-phenyl-prop-2-en-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636791	.	.	.	.	274.3	C19H14O2	37.3	381	4.6	21	1	2	3	"InChI=1S/C19H14O2/c20-18(15-7-2-1-3-8-15)13-11-17-16-9-5-4-6-14(16)10-12-19(17)21/h1-13,21H/b13-11+"	C1=CC=C(C=C1)C(=O)/C=C/C2=C(C=CC3=CC=CC=C32)O	BULMFFWOBSTTTQ-ACCUITESSA-N
DG63259	"N-(2-(3,4-Dichlorophenyl)-1-((hexadecylamino)carbonyl)vinyl)benzamide"	5880148	"NSC659441; CHEMBL1983662; ZINC73330222; NSC-659441; N-(2-(3,4-Dichlorophenyl)-1-((hexadecylamino)carbonyl)vinyl)benzamide; N-[(E)-2-(3,4-dichlorophenyl)-1-(hexadecylcarbamoyl)vinyl]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659441	.	.	.	.	559.6	C32H44Cl2N2O2	58.2	678	11.7	38	2	2	19	"InChI=1S/C32H44Cl2N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-35-32(38)30(25-26-21-22-28(33)29(34)24-26)36-31(37)27-19-16-15-17-20-27/h15-17,19-22,24-25H,2-14,18,23H2,1H3,(H,35,38)(H,36,37)/b30-25+"	CCCCCCCCCCCCCCCCNC(=O)/C(=C\\C1=CC(=C(C=C1)Cl)Cl)/NC(=O)C2=CC=CC=C2	GAMFYXIJSUHSPR-QCWLDUFUSA-N
DG63260	"N-[(4Z)-1,3-dibromo-4-hydroxyimino-5,6-dihydrocyclopenta[c]thiophen-6-yl]-2,2,2-trifluoro-acetamide"	5880315	"NSC662126; CHEMBL1977417; NSC-662126; N-(1,3-Dibromo-6-(hydroxyimino)-5,6-dihydro-4H-cyclopenta[c]thien-4-yl)-2,2,2-trifluoroacetamide; N-[(4Z)-1,3-dibromo-4-hydroxyimino-5,6-dihydrocyclopenta[c]thiophen-6-yl]-2,2,2-trifluoro-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662126	.	.	.	.	422.02	C9H5Br2F3N2O2S	89.9	421	3.7	19	2	7	1	"InChI=1S/C9H5Br2F3N2O2S/c10-6-4-2(15-8(17)9(12,13)14)1-3(16-18)5(4)7(11)19-6/h2,18H,1H2,(H,15,17)/b16-3-"	C\\1C(C2=C(SC(=C2/C1=N\\O)Br)Br)NC(=O)C(F)(F)F	BBWWRPCRJYGQGF-XFQLMFQHSA-N
DG63261	2-Amino-5-phosphono-4-pentenoic acid	5882143	NSC672108; 2-Amino-5-phosphono-4-pentenoic acid; CHEMBL29687; SCHEMBL10581552; QHTABWCNPABQCM-HNQUOIGGSA-; STL527070; AKOS030493428; NSC-672108; (E)-2-Amino-5-phosphono-pent-4-enoic acid; (4E)-2-AMINO-5-PHOSPHONOPENT-4-ENOIC ACID	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672108	.	.	.	.	195.11	C5H10NO5P	121	232	-4.6	12	4	6	4	"InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h1,3-4H,2,6H2,(H,7,8)(H2,9,10,11)/b3-1+"	C(/C=C/P(=O)(O)O)C(C(=O)O)N	QHTABWCNPABQCM-HNQUOIGGSA-N
DG63262	3-[4-[(Z)-[2-(2-chloro-5-nitro-phenyl)-1-(o-tolyl)-5-oxo-imidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile	5884855	"NSC637919; CHEMBL1974951; NSC-637919; 3-[4-[(Z)-[2-(2-chloro-5-nitro-phenyl)-1-(o-tolyl)-5-oxo-imidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile; Propanenitrile, 3,3'-[[4-[(Z)-[2-(2-chloro-5-nitrophenyl)-1,5-dihydro-1-(2-methylphenyl)-5-oxo-4H-imidazol-4-ylidene]methyl]phenyl]imino]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637919	.	.	.	.	539	C29H23ClN6O3	129	1040	5.1	39	0	7	8	"InChI=1S/C29H23ClN6O3/c1-20-6-2-3-7-27(20)35-28(24-19-23(36(38)39)12-13-25(24)30)33-26(29(35)37)18-21-8-10-22(11-9-21)34(16-4-14-31)17-5-15-32/h2-3,6-13,18-19H,4-5,16-17H2,1H3/b26-18-"	CC1=CC=CC=C1N2C(=N/C(=C\\C3=CC=C(C=C3)N(CCC#N)CCC#N)/C2=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl	KDIBBBGDSOSEJZ-ITYLOYPMSA-N
DG63263	"6-hexyl-7-hydroxy-3-{2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl}-2H-chromen-2-one"	5886892	"CHEMBL4784646; ZINC9070552; NSC766746; STK543664; AKOS005473101; NSC-766746; 6-hexyl-7-hydroxy-3-{2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl}-2H-chromen-2-one; 143102-92-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766746	.	.	.	.	431.5	C26H25NO3S	87.7	657	7.5	31	1	5	8	"InChI=1S/C26H25NO3S/c1-2-3-4-8-11-19-14-20-15-21(26(29)30-24(20)16-23(19)28)22-17-31-25(27-22)13-12-18-9-6-5-7-10-18/h5-7,9-10,12-17,28H,2-4,8,11H2,1H3/b13-12+"	CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)/C=C/C4=CC=CC=C4)O	HGBMOUZLBAYJRN-OUKQBFOZSA-N
DG63264	"2-[(E)-(3-oxo-1,5,6,7-tetrahydro-s-indacen-2-ylidene)methyl]benzoic acid"	5887129	"NSC674942; CHEMBL1970297; ZINC1645330; 2-[(E)-(3-oxo-1,5,6,7-tetrahydro-s-indacen-2-ylidene)methyl]benzoic acid; NSC-674942; 2-((1-Oxo-3,5,6,7-tetrahydro-s-indacen-2(1H)-ylidene)methyl)benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674942	.	.	.	.	304.3	C20H16O3	54.4	535	4.2	23	1	3	2	"InChI=1S/C20H16O3/c21-19-16(9-14-4-1-2-7-17(14)20(22)23)10-15-8-12-5-3-6-13(12)11-18(15)19/h1-2,4,7-9,11H,3,5-6,10H2,(H,22,23)/b16-9+"	C1CC2=CC3=C(C=C2C1)C(=O)/C(=C/C4=CC=CC=C4C(=O)O)/C3	UVRYHLMIVKQCHB-CXUHLZMHSA-N
DG63265	"2-[(E)-(6,7-dimethyl-1-oxo-indan-2-ylidene)methyl]-6-methyl-benzoic acid"	5888698	"NSC678372; CHEMBL1975073; NSC-678372; 2-[(E)-(6,7-dimethyl-1-oxo-indan-2-ylidene)methyl]-6-methyl-benzoic acid; 2-((6,7-Dimethyl-1-oxo-1,3-dihydro-2H-inden-2-ylidene)methyl)-6-methylbenzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678372	.	.	.	.	306.4	C20H18O3	54.4	521	4.4	23	1	3	2	"InChI=1S/C20H18O3/c1-11-7-8-15-10-16(19(21)18(15)13(11)3)9-14-6-4-5-12(2)17(14)20(22)23/h4-9H,10H2,1-3H3,(H,22,23)/b16-9+"	CC1=C(C(=CC=C1)/C=C/2\\CC3=C(C2=O)C(=C(C=C3)C)C)C(=O)O	CVYNJUFTRDMEIT-CXUHLZMHSA-N
DG63266	"3-[(Z)-1-pyrazin-2-ylethylideneamino]-1,1-bis(2-pyridylmethyl)thiourea"	5889737	"NSC689537; MLS002702388; CHEMBL1986738; NSC-689537; 1-(2-Pyrazinyl)ethanone N,N-bis(2-pyridinylmethyl)thiosemicarbazone; 3-[(Z)-1-pyrazin-2-ylethylideneamino]-1,1-bis(2-pyridylmethyl)thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689537	.	.	.	.	377.5	C19H19N7S	111	478	1.1	27	1	6	6	"InChI=1S/C19H19N7S/c1-15(18-12-20-10-11-23-18)24-25-19(27)26(13-16-6-2-4-8-21-16)14-17-7-3-5-9-22-17/h2-12H,13-14H2,1H3,(H,25,27)/b24-15-"	C/C(=N/NC(=S)N(CC1=CC=CC=N1)CC2=CC=CC=N2)/C3=NC=CN=C3	OHUPQINJOLRADC-IWIPYMOSSA-N
DG63267	"3-[(2E)-3-(2H-1,3-Benzodioxol-5-yl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one"	5889984	"77633-05-7; NSC356903; CHEMBL2000849; SCHEMBL12270196; DTXSID40421295; ZINC16940633; NSC-356903; 2-Hydroxy-3-[3-(1,3-benzodioxole-5-yl)propenoyl]cyclohepta-2,4,6-triene-1-one; 3-[(2E)-3-(2H-1,3-Benzodioxol-5-yl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one; 3-[(E)-3-(1,3-Benzodioxole-5-yl)propenoyl]-2-hydroxycyclohepta-2,4,6-triene-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	356903	.	.	.	.	296.27	C17H12O5	72.8	596	3.3	22	1	5	3	"InChI=1S/C17H12O5/c18-13(12-3-1-2-4-14(19)17(12)20)7-5-11-6-8-15-16(9-11)22-10-21-15/h1-9H,10H2,(H,19,20)/b7-5+"	C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=C(C(=O)C=CC=C3)O	JEZLGHUPGPOHDO-FNORWQNLSA-N
DG63268	1-(p-tolyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea	5892010	NSC668334; MLS002702207; CHEMBL1993822; ZINC16958641; NSC-668334; 1-(2-Pyridinyl)ethanone N-(4-methylphenyl)thiosemicarbazone; 1-(2-Pyridyl)ethanone 4-(4-methylphenyl)thiosemicarbazone; 1-(p-tolyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea; 1-[(E)-1-(2-Pyridinyl)ethylidene]-4-(4-methylphenyl)thiosemicarbazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668334	.	.	.	.	284.4	C15H16N4S	81.4	348	3.1	20	2	3	3	"InChI=1S/C15H16N4S/c1-11-6-8-13(9-7-11)17-15(20)19-18-12(2)14-5-3-4-10-16-14/h3-10H,1-2H3,(H2,17,19,20)/b18-12-"	CC1=CC=C(C=C1)NC(=S)N/N=C(/C)\\C2=CC=CC=N2	ZKSCCNZKLCCYNG-PDGQHHTCSA-N
DG63269	6-chloro-N-[(Z)-[phenyl(pyrimidin-2-yl)methylidene]amino]pyrimidin-4-amine	5893153	NSC693624; CHEMBL1977164; NSC-693624	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693624	.	.	.	.	310.74	C15H11ClN6	76	365	3.6	22	1	6	4	"InChI=1S/C15H11ClN6/c16-12-9-13(20-10-19-12)21-22-14(11-5-2-1-3-6-11)15-17-7-4-8-18-15/h1-10H,(H,19,20,21)/b22-14-"	C1=CC=C(C=C1)/C(=N/NC2=CC(=NC=N2)Cl)/C3=NC=CC=N3	MLKCLHWCFALDKM-HMAPJEAMSA-N
DG63270	(E)-1-(4-Butyramido-1-methyl-2-pyrroleacryloyl)-3-chloromethyl-6-nitroindoline	5896344	SCHEMBL7461379; CHEMBL1983903; NSC691248; NSC-691248; (E)-1-(4-Butyramido-1-methyl-2-pyrroleacryloyl)-3-chloromethyl-6-nitroindoline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691248	.	.	.	.	430.9	C21H23ClN4O4	100	682	2.4	30	1	4	6	"InChI=1S/C21H23ClN4O4/c1-3-4-20(27)23-15-9-16(24(2)13-15)6-8-21(28)25-12-14(11-22)18-7-5-17(26(29)30)10-19(18)25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,27)/b8-6+"	CCCC(=O)NC1=CN(C(=C1)/C=C/C(=O)N2CC(C3=C2C=C(C=C3)[N+](=O)[O-])CCl)C	ZDFHNKMHWNQKTB-SOFGYWHQSA-N
DG63271	"dimethyl 2-[[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]carbamothioylamino]pentanedioate"	5896716	NSC645632; CHEMBL1995419; NSC-645632	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645632	.	.	.	.	358.4	C13H18N4O4S2	162	473	1.3	23	2	8	9	"InChI=1S/C13H18N4O4S2/c1-8(11-14-6-7-23-11)16-17-13(22)15-9(12(19)21-3)4-5-10(18)20-2/h6-7,9H,4-5H2,1-3H3,(H2,15,17,22)/b16-8+"	C/C(=N\\NC(=S)NC(CCC(=O)OC)C(=O)OC)/C1=NC=CS1	WTYFQCKQWGBDMD-LZYBPNLTSA-N
DG63272	(Z)-5-[benzyl(methyl)amino]-2-(4-chlorophenyl)-1-phenylpent-1-en-3-one	5897951	NSC15813; 5447-56-3; NSC-15813; ZINC17147375	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15813	.	.	.	.	389.9	C25H24ClNO	20.3	497	5.8	28	0	2	8	"InChI=1S/C25H24ClNO/c1-27(19-21-10-6-3-7-11-21)17-16-25(28)24(18-20-8-4-2-5-9-20)22-12-14-23(26)15-13-22/h2-15,18H,16-17,19H2,1H3/b24-18-"	CN(CCC(=O)/C(=C\\C1=CC=CC=C1)/C2=CC=C(C=C2)Cl)CC3=CC=CC=C3	LONJEUANXZHGKA-MOHJPFBDSA-N
DG63273	NSC670110	5898147	"N-[1-[[(E)-N'-(1-diethoxyphosphoryl-1-methyl-propyl)-N-[4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazin-2-yl]carbamimidoyl]amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]acetamide; NSC670110; CHEMBL1981010; NSC-670110; Diethyl 1-((((1-(acetylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)amino)((4,4,6-tris(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)amino)methylene)amino)-1-methylpropylphosphonate; N-[1-[[(E)-N'-(1-diethoxyphosphoryl-1-methyl-propyl)-N-[4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazin-2-yl]carbamimidoyl]amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670110	.	.	.	.	744.4	C20H24F15N6O5P	135	1250	5.2	47	3	23	12	"InChI=1S/C20H24F15N6O5P/c1-6-13(5,47(43,44-7-2)45-8-3)39-11(40-15(17(24,25)26,18(27,28)29)37-9(4)42)36-12-41-16(19(30,31)32,20(33,34)35)38-10(46-12)14(21,22)23/h6-8H2,1-5H3,(H,37,42)(H2,36,39,40,41)"	CCC(C)(N/C(=N/C(C(F)(F)F)(C(F)(F)F)NC(=O)C)/NC1=NC(N=C(O1)C(F)(F)F)(C(F)(F)F)C(F)(F)F)P(=O)(OCC)OCC	SJDKFYPJAFTDHU-UHFFFAOYSA-N
DG63274	(2E)-2-(phenylcarbamoylimino)-5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-oxazolidine-3-carboxamide	5898191	"NSC697658; CHEMBL1994972; NSC-697658; (2E)-2-(phenylcarbamoylimino)-5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-oxazolidine-3-carboxamide; 3-Oxazolidinecarboxamide, 2-[[(phenylamino)carbonyl]imino]-5-[(4-phenyl-1-piperazinyl)methyl]-N-propyl-, (2E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697658	.	.	.	.	464.6	C25H32N6O3	89.5	697	3.5	34	2	5	6	"InChI=1S/C25H32N6O3/c1-2-13-26-24(33)31-19-22(34-25(31)28-23(32)27-20-9-5-3-6-10-20)18-29-14-16-30(17-15-29)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3,(H,26,33)(H,27,32)/b28-25+"	CCCNC(=O)N\\1CC(O/C1=N/C(=O)NC2=CC=CC=C2)CN3CCN(CC3)C4=CC=CC=C4	GYFVVEPHVHXQHR-AZPGRJICSA-N
DG63275	1-Benzylidene-4-(1-naphthyl)semicarbazide	5899597	CHEMBL1979584; NSC674492; NSC-674492; 1-Benzylidene-4-(1-naphthyl)semicarbazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674492	.	.	.	.	289.3	C18H15N3O	53.5	390	3.8	22	2	2	3	"InChI=1S/C18H15N3O/c22-18(21-19-13-14-7-2-1-3-8-14)20-17-12-6-10-15-9-4-5-11-16(15)17/h1-13H,(H2,20,21,22)/b19-13-"	C1=CC=C(C=C1)/C=N\\NC(=O)NC2=CC=CC3=CC=CC=C32	MVEGRTOEVJPZFT-UYRXBGFRSA-N
DG63276	"Hydrazinecarboxamide, N-(1-naphthyl)-2-[(4-nitrophenyl)methylene]-"	5899598	"NSC674493; CHEMBL1997228; NSC-674493; 1-(4-Nitrobenzylidene)-4-(1-naphthyl)semicarbazide; Hydrazinecarboxamide, N-(1-naphthyl)- 2-[(4-nitrophenyl)methylene]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674493	.	.	.	.	334.3	C18H14N4O3	99.3	497	3.6	25	2	4	3	"InChI=1S/C18H14N4O3/c23-18(20-17-7-3-5-14-4-1-2-6-16(14)17)21-19-12-13-8-10-15(11-9-13)22(24)25/h1-12H,(H2,20,21,23)/b19-12-"	C1=CC=C2C(=C1)C=CC=C2NC(=O)N/N=C\\C3=CC=C(C=C3)[N+](=O)[O-]	QXENDZJUHJOOLP-UNOMPAQXSA-N
DG63277	Methyl 2-(6-chloro-3-hydroxy-2-quinoxalinyl)-4-(4-ethoxyanilino)-3-hydrazono-4-oxobutanoate	5900389	NSC648652; CHEMBL1969209; NSC-648652; methyl (3Z)-2-(6-chloro-3-hydroxy-quinoxalin-2-yl)-4-(4-ethoxyanilino)-3-hydrazinylidene-4-oxo-butanoate; Methyl 2-(6-chloro-3-hydroxy-2-quinoxalinyl)-4-(4-ethoxyanilino)-3-hydrazono-4-oxobutanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648652	.	.	.	.	457.9	C21H20ClN5O5	145	781	3.1	32	3	8	8	"InChI=1S/C21H20ClN5O5/c1-3-32-13-7-5-12(6-8-13)24-20(29)18(27-23)16(21(30)31-2)17-19(28)26-15-10-11(22)4-9-14(15)25-17/h4-10,16H,3,23H2,1-2H3,(H,24,29)(H,26,28)/b27-18-"	CCOC1=CC=C(C=C1)NC(=O)/C(=N\\N)/C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)OC	NENMRBJMLICCCH-IMRQLAEWSA-N
DG63278	3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(4-chloro-2-methylphenyl)-2-(isonicotinoylhydrazono)propanamide	5900390	NSC648653; CHEMBL1967162; ZINC102919869; NSC-648653; 3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(4-chloro-2-methylphenyl)-2-(isonicotinoylhydrazono)propanamide; N-[(E)-[1-[(6-benzoyl-3-hydroxy-quinoxalin-2-yl)methyl]-2-(4-chloro-2-methyl-anilino)-2-oxo-ethylidene]amino]pyridine-4-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648653	.	.	.	.	579	C31H23ClN6O4	142	1080	4.8	42	3	7	8	"InChI=1S/C31H23ClN6O4/c1-18-15-22(32)8-10-23(18)35-31(42)27(37-38-29(40)20-11-13-33-14-12-20)17-26-30(41)36-25-16-21(7-9-24(25)34-26)28(39)19-5-3-2-4-6-19/h2-16H,17H2,1H3,(H,35,42)(H,36,41)(H,38,40)/b37-27+"	CC1=C(C=CC(=C1)Cl)NC(=O)/C(=N/NC(=O)C2=CC=NC=C2)/CC3=NC4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)NC3=O	LTNPZBURFZHTKJ-NXEFEZKASA-N
DG63279	methyl (3Z)-2-(6-chloro-3-hydroxy-quinoxalin-2-yl)-4-(2-methoxyanilino)-4-oxo-3-(pyridine-4-carbonylhydrazono)butanoate	5900391	NSC648655; CHEMBL1999156; NSC-648655; methyl (3Z)-2-(6-chloro-3-hydroxy-quinoxalin-2-yl)-4-(2-methoxyanilino)-4-oxo-3-(pyridine-4-carbonylhydrazono)butanoate; Methyl (3Z)-4-aza-2-(6-chloro-3-hydroxyquinoxalin-2-yl)-3-[N-(2-methoxyphenyl)carbamoyl]-4-(4-pyridylcarbonylamino)but-3-enoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648655	.	.	.	.	548.9	C26H21ClN6O6	160	999	3.2	39	3	9	9	"InChI=1S/C26H21ClN6O6/c1-38-19-6-4-3-5-17(19)30-25(36)22(32-33-23(34)14-9-11-28-12-10-14)20(26(37)39-2)21-24(35)31-18-13-15(27)7-8-16(18)29-21/h3-13,20H,1-2H3,(H,30,36)(H,31,35)(H,33,34)/b32-22-"	COC1=CC=CC=C1NC(=O)/C(=N\\NC(=O)C2=CC=NC=C2)/C(C3=NC4=C(C=C(C=C4)Cl)NC3=O)C(=O)OC	ZDYDZLAMGKYVRL-JDCMOKTRSA-N
DG63280	"(2Z)-N-(2,5-dimethylphenyl)-2-hydrazinylidene-3-nitro-3-(7-nitroquinoxalin-2-yl)propanamide"	5900400	"NSC648660; CHEMBL2001711; NSC-648660; (2Z)-N-(2,5-dimethylphenyl)-2-hydrazinylidene-3-nitro-3-(7-nitroquinoxalin-2-yl)propanamide; N-(2,5-Dimethylphenyl)-2-hydrazono-3-(hydroxy(oxido)amino)-3-(7-(hydroxy(oxido)amino)-2-quinoxalinyl)propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648660	.	.	.	.	423.4	C19H17N7O5	185	721	3	31	2	9	4	"InChI=1S/C19H17N7O5/c1-10-3-4-11(2)14(7-10)23-19(27)17(24-20)18(26(30)31)16-9-21-13-6-5-12(25(28)29)8-15(13)22-16/h3-9,18H,20H2,1-2H3,(H,23,27)/b24-17-"	CC1=CC(=C(C=C1)C)NC(=O)/C(=N\\N)/C(C2=CN=C3C=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]	KKBXQEBGPSKLCL-ULJHMMPZSA-N
DG63281	Methyl 3-((aminocarbonyl)hydrazono)-2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-4-oxo-4-(4-toluidino)butanoate	5900401	NSC648664; CHEMBL1982809; NSC-648664; methyl (3Z)-3-(carbamoylhydrazono)-2-(3-hydroxy-6-nitro-quinoxalin-2-yl)-4-(4-methylanilino)-4-oxo-butanoate; Methyl 3-((aminocarbonyl)hydrazono)-2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-4-oxo-4-(4-toluidino)butanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648664	.	.	.	.	481.4	C21H19N7O7	210	937	1.7	35	4	9	7	"InChI=1S/C21H19N7O7/c1-10-3-5-11(6-4-10)23-19(30)17(26-27-21(22)32)15(20(31)35-2)16-18(29)25-14-9-12(28(33)34)7-8-13(14)24-16/h3-9,15H,1-2H3,(H,23,30)(H,25,29)(H3,22,27,32)/b26-17-"	CC1=CC=C(C=C1)NC(=O)/C(=N\\NC(=O)N)/C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)OC	NPRPPINXHPFRTJ-ONUIUJJFSA-N
DG63282	1-(4-Nitrobenzylidene)-4-(6-methoxy-2-naphthyl)semicarbazide	5901199	NSC690273; CHEMBL1968559; NSC-690273; 1-(4-Nitrobenzylidene)-4-(6-methoxy-2-naphthyl)semicarbazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690273	.	.	.	.	364.4	C19H16N4O4	109	542	3.6	27	2	5	4	"InChI=1S/C19H16N4O4/c1-27-18-9-5-14-10-16(6-4-15(14)11-18)21-19(24)22-20-12-13-2-7-17(8-3-13)23(25)26/h2-12H,1H3,(H2,21,22,24)/b20-12-"	COC1=CC2=C(C=C1)C=C(C=C2)NC(=O)N/N=C\\C3=CC=C(C=C3)[N+](=O)[O-]	IUNFBMDULNORTL-NDENLUEZSA-N
DG63283	6-(1-Chloro-2-phenylvinyl)-7-(hydroxy(oxido)amino)-3-phenyl-4-quinolinol	5903258	NSC626527; CHEMBL1977292; NSC-626527; 6-[(Z)-1-chloro-2-phenyl-vinyl]-7-nitro-3-phenyl-quinolin-4-ol; 6-(1-Chloro-2-phenylvinyl)-7-(hydroxy(oxido)amino)-3-phenyl-4-quinolinol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626527	.	.	.	.	402.8	C23H15ClN2O3	74.9	687	5.7	29	1	4	3	"InChI=1S/C23H15ClN2O3/c24-20(11-15-7-3-1-4-8-15)17-12-18-21(13-22(17)26(28)29)25-14-19(23(18)27)16-9-5-2-6-10-16/h1-14H,(H,25,27)/b20-11-"	C1=CC=C(C=C1)/C=C(/C2=C(C=C3C(=C2)C(=O)C(=CN3)C4=CC=CC=C4)[N+](=O)[O-])\\Cl	HVYIIKIMQGEMEM-JAIQZWGSSA-N
DG63284	1-[(Z)-1-pyrazin-2-ylethylideneamino]-3-[2-(2-pyridyl)ethyl]thiourea	5903816	NSC689536; CHEMBL2003011; NSC-689536; 1-(2-Pyrazinyl)ethanone N-(2-(2-pyridinyl)ethyl)thiosemicarbazone; 1-[(Z)-1-pyrazin-2-ylethylideneamino]-3-[2-(2-pyridyl)ethyl]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689536	.	.	.	.	300.38	C14H16N6S	107	359	0.9	21	2	5	5	"InChI=1S/C14H16N6S/c1-11(13-10-15-8-9-17-13)19-20-14(21)18-7-5-12-4-2-3-6-16-12/h2-4,6,8-10H,5,7H2,1H3,(H2,18,20,21)/b19-11-"	C/C(=N/NC(=S)NCCC1=CC=CC=N1)/C2=NC=CN=C2	SLUJSCHZLNPQJR-ODLFYWEKSA-N
DG63285	"4-[(E)-2-benzo[f]quinolin-1-ylvinyl]-N,N-dimethyl-aniline"	5904653	"NSC407356; 7498-18-2; CHEMBL1883992; DTXSID00421332; ZINC6375046; NSC-407356; NCGC00184122-01; NCGC00184122-02; NCGC00184122-03; NCGC00184122-04; NCGC00184122-05; NCGC00184122-06; NCGC00184122-07; NCGC00184122-08; Quinoline, 4-(4-N,N-dimethylaminostyryl)-5,6-benzo; 4-[(E)-2-benzo[f]quinolin-1-ylvinyl]-N,N-dimethyl-aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407356	.	.	.	.	324.4	C23H20N2	16.1	449	5.8	25	0	2	3	"InChI=1S/C23H20N2/c1-25(2)20-12-8-17(9-13-20)7-10-19-15-16-24-22-14-11-18-5-3-4-6-21(18)23(19)22/h3-16H,1-2H3/b10-7+"	CN(C)C1=CC=C(C=C1)/C=C/C2=C3C(=NC=C2)C=CC4=CC=CC=C43	IKCVQOAMABCPCU-JXMROGBWSA-N
DG63286	"1-(2-Hydroxyphenyl)-5-phenyl-1,4-pentadien-3-one"	5904790	"NSC636788; Hydroxydistyrylketone; CHEMBL1973696; SCHEMBL17068275; ZINC1624890; NSC-636788; 1-(2-Hydroxyphenyl)-5-phenyl-1,4-pentadien-3-one; (1E,4E)-1-(2-hydroxyphenyl)-5-phenyl-penta-1,4-dien-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636788	.	.	.	.	250.29	C17H14O2	37.3	337	3.8	19	1	2	4	"InChI=1S/C17H14O2/c18-16(12-10-14-6-2-1-3-7-14)13-11-15-8-4-5-9-17(15)19/h1-13,19H/b12-10+,13-11+"	C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2O	FDFRSFSHWUDRTJ-DCIPZJNNSA-N
DG63287	"2-(3,4-Dichlorobenzylidene)-6-(4-hydroxybenzylidene)cyclohexanone"	5905419	"NSC683835; CHEMBL2006110; ZINC16958906; NSC-683835; 2-(3,4-Dichlorobenzylidene)-6-(4-hydroxybenzylidene)cyclohexanone; (2Z,6Z)-2-[(3,4-dichlorophenyl)methylene]-6-[(4-hydroxyphenyl)methylene]cyclohexanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683835	.	.	.	.	359.2	C20H16Cl2O2	37.3	518	6	24	1	2	2	"InChI=1S/C20H16Cl2O2/c21-18-9-6-14(12-19(18)22)11-16-3-1-2-15(20(16)24)10-13-4-7-17(23)8-5-13/h4-12,23H,1-3H2/b15-10-,16-11-"	C1C/C(=C/C2=CC=C(C=C2)O)/C(=O)/C(=C\\C3=CC(=C(C=C3)Cl)Cl)/C1	IMLOAMSUXFEQKT-XCMCHEKJSA-N
DG63288	NSC668485	5905475	"1-(2-chlorophenyl)-3-[(Z)-1-[6-[(Z)-N-[(2-chlorophenyl)carbamothioylamino]-C-methyl-carbonimidoyl]-2-pyridyl]ethylideneamino]thiourea; NSC668485; CHEMBL1972728; NSC-668485; 1-(2-chlorophenyl)-3-[(Z)-1-[6-[(Z)-N-[(2-chlorophenyl)carbamothioylamino]-C-methyl-carbonimidoyl]-2-pyridyl]ethylideneamino]thiourea; Hydrazinecarbothioamide, 2,2'-[2,6-pyridinediyldi(1Z)ethylidyne]bis[N-(2-chlorophenyl)-, (2Z,2'Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668485	.	.	.	.	530.5	C23H21Cl2N7S2	150	704	5.7	34	4	5	6	"InChI=1S/C23H21Cl2N7S2/c1-14(29-31-22(33)27-20-10-5-3-8-16(20)24)18-12-7-13-19(26-18)15(2)30-32-23(34)28-21-11-6-4-9-17(21)25/h3-13H,1-2H3,(H2,27,31,33)(H2,28,32,34)/b29-14-,30-15-"	C/C(=N/NC(=S)NC1=CC=CC=C1Cl)/C2=NC(=CC=C2)/C(=N\\NC(=S)NC3=CC=CC=C3Cl)/C	CUYVBNLACRYKJQ-QKPCRAOOSA-N
DG63289	3-chloro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]-5-(trifluoromethyl)pyridin-2-amine	5905604	NSC693628; CHEMBL2000332; NSC-693628	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693628	.	.	.	.	376.8	C18H12ClF3N4	50.2	480	5.5	26	1	7	4	"InChI=1S/C18H12ClF3N4/c19-14-10-13(18(20,21)22)11-24-17(14)26-25-16(12-6-2-1-3-7-12)15-8-4-5-9-23-15/h1-11H,(H,24,26)/b25-16-"	C1=CC=C(C=C1)/C(=N/NC2=C(C=C(C=N2)C(F)(F)F)Cl)/C3=CC=CC=N3	GOHOXNBIFQIMCA-XYGWBWBKSA-N
DG63290	NSC684382	5906432	"[(4Z)-4-(furan-2-ylmethylidene)-3-oxo-11-sulfanylidene-7-thia-2,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),5,8-trien-9-yl]thiourea; NSC684382; CHEMBL1977438; NSC-684382; [(7Z)-7-(2-furylmethylene)-8-oxo-2-thioxo-1H-imidazo[[ ]:[ ]]thiazolo[[ ]]pyrimidin-4-yl]thiourea; Thiourea, N-[(7Z)-7-(2-furanylmethylene)-1,2,7,8-tetrahydro-8-oxo-2-thioxoimidazo[2',1':2,3]thiazolo[4,5-d]pyrimidin-4-yl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684382	.	.	.	.	376.4	C13H8N6O2S3	198	800	0.8	24	3	6	2	"InChI=1S/C13H8N6O2S3/c14-11(22)16-8-7-9(18-12(23)17-8)19-10(20)6(15-13(19)24-7)4-5-2-1-3-21-5/h1-4H,(H4,14,16,17,18,22,23)/b6-4-"	C1=COC(=C1)/C=C\\2/C(=O)N3C4=NC(=S)NC(=C4SC3=N2)NC(=S)N	PRAZRRGVDNCIKQ-XQRVVYSFSA-N
DG63291	"1-(2,4-Dichlorophenyl)-4-methylpent-1-en-3-one"	5906743	"NSC669738; 1-(2,4-dichlorophenyl)-4-methylpent-1-en-3-one; CHEMBL1973095; ZINC1643503; NSC-669738; (E)-1-(2,4-dichlorophenyl)-4-methyl-pent-1-en-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669738	.	.	.	.	243.13	C12H12Cl2O	17.1	248	4.2	15	0	1	3	"InChI=1S/C12H12Cl2O/c1-8(2)12(15)6-4-9-3-5-10(13)7-11(9)14/h3-8H,1-2H3/b6-4+"	CC(C)C(=O)/C=C/C1=C(C=C(C=C1)Cl)Cl	WNKJKMDXSFFUMM-GQCTYLIASA-N
DG63292	"Parthenolide, 9B-acetoxy-"	5906991	"PARTHENOLIDE, 9B-ACETOXY-; NSC292657; 55249-44-0; NSC672116; 1a,5-Dimethyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno(9,10)cyclodeca(1,2-b)furan-6-yl acetate; 1a,5-Dimethyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-6-yl acetate; NSC 292657; NSC 672116"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672116	.	.	.	.	306.4	C17H22O5	65.099	563	1.8	22	0	5	2	"InChI=1S/C17H22O5/c1-9-6-5-7-17(4)15(22-17)14-12(10(2)16(19)21-14)8-13(9)20-11(3)18/h6,12-15H,2,5,7-8H2,1,3-4H3/b9-6-"	C/C/1=C/CCC2(C(O2)C3C(CC1OC(=O)C)C(=C)C(=O)O3)C	QMKVWBGFFNUWNW-TWGQIWQCSA-N
DG63293	1-(2-methoxyphenyl)-3-[(Z)-[phenyl(2-pyridyl)methylene]amino]thiourea	5907304	NSC668331; CHEMBL1992612; ZINC1642875; NSC-668331; (Z)-Phenyl(2-pyridinyl)methanone N-(2-methoxyphenyl)thiosemicarbazone; 1-(2-methoxyphenyl)-3-[(Z)-[phenyl(2-pyridyl)methylene]amino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668331	.	.	.	.	362.4	C20H18N4OS	90.6	478	4.3	26	2	4	5	"InChI=1S/C20H18N4OS/c1-25-18-13-6-5-11-16(18)22-20(26)24-23-19(15-9-3-2-4-10-15)17-12-7-8-14-21-17/h2-14H,1H3,(H2,22,24,26)/b23-19-"	COC1=CC=CC=C1NC(=S)N/N=C(/C2=CC=CC=C2)\\C3=CC=CC=N3	GCSKJVXUKXNQHK-NMWGTECJSA-N
DG63294	4-Methoxy-N-(3-((4-methoxyphenyl)imino)-1-propenyl)aniline	5907478	"NSC676466; CHEMBL1988759; SCHEMBL22549461; NSC-676466; 4-Methoxy-N-(3-((4-methoxyphenyl)imino)-1-propenyl)aniline; 4-methoxy-N-[(E,3E)-3-(4-methoxyphenyl)iminoprop-1-enyl]aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676466	.	.	.	.	282.34	C17H18N2O2	42.8	328	3.3	21	1	4	6	"InChI=1S/C17H18N2O2/c1-20-16-8-4-14(5-9-16)18-12-3-13-19-15-6-10-17(21-2)11-7-15/h3-13,18H,1-2H3/b12-3+,19-13 "	COC1=CC=C(C=C1)N/C=C/C=NC2=CC=C(C=C2)OC	LORCEWWAJPOOFS-OCYUQXDLSA-N
DG63295	O-ethyl [(2Z)-2-(1-methoxy-1-methyl-ethoxy)imino-2-phenyl-ethyl]sulfanylmethanethioate	5907878	NSC680537; CHEMBL1964827; NSC-680537; O-ethyl [(2Z)-2-(1-methoxy-1-methyl-ethoxy)imino-2-phenyl-ethyl]sulfanylmethanethioate; O-Ethyl S-(2-((1-methoxy-1-methylethoxy)imino)-2-phenylethyl) dithiocarbonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680537	.	.	.	.	327.5	C15H21NO3S2	97.4	353	4.6	21	0	6	9	"InChI=1S/C15H21NO3S2/c1-5-18-14(20)21-11-13(12-9-7-6-8-10-12)16-19-15(2,3)17-4/h6-10H,5,11H2,1-4H3/b16-13+"	CCOC(=S)SC/C(=N\\OC(C)(C)OC)/C1=CC=CC=C1	OESIXMXWSGUZRI-DTQAZKPQSA-N
DG63296	"N'-(4-Cyclohexyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)-N,N-dimethylthiourea"	5907910	"NSC622687; CHEMBL1980472; NSC-622687; (3Z)-3-(4-cyclohexyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)-1,1-dimethyl-thiourea; N'-(4-Cyclohexyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)-N,N-dimethylthiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622687	.	.	.	.	319.5	C11H17N3S4	134	375	3.6	18	0	4	1	"InChI=1S/C11H17N3S4/c1-13(2)9(15)12-10-14(11(16)18-17-10)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3/b12-10-"	CN(C)C(=S)/N=C\\1/N(C(=S)SS1)C2CCCCC2	ABWAJSDROQUJFX-BENRWUELSA-N
DG63297	(Z)-2-(4-bromophenyl)-3-[4-[2-cyanoethyl(methyl)amino]phenyl]prop-2-enenitrile	5908264	NSC202062; MLS003107160; ZINC1735965; NSC-202062; (Z)-2-(4-bromophenyl)-3-[4-[2-cyanoethyl(methyl)amino]phenyl]prop-2-enenitrile; 2-(4-Bromophenyl)-3-(4-((2-cyanoethyl)(methyl)amino)phenyl)acrylonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	202062	.	.	.	.	366.3	C19H16BrN3	50.8	493	4.2	23	0	3	5	"InChI=1S/C19H16BrN3/c1-23(12-2-11-21)19-9-3-15(4-10-19)13-17(14-22)16-5-7-18(20)8-6-16/h3-10,13H,2,12H2,1H3/b17-13+"	CN(CCC#N)C1=CC=C(C=C1)/C=C(\\C#N)/C2=CC=C(C=C2)Br	UXQKDCXLIGYTNZ-GHRIWEEISA-N
DG63298	"4-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-1,5-dimethyl-2-phenylpyrazol-3-one"	5908269	NSC653629; CHEMBL1988233; NSC-653629	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653629	.	.	.	.	387.3	C20H16Cl2N2O2	40.6	615	3.8	26	0	3	4	"InChI=1S/C20H16Cl2N2O2/c1-13-19(18(25)12-11-15-16(21)9-6-10-17(15)22)20(26)24(23(13)2)14-7-4-3-5-8-14/h3-12H,1-2H3/b12-11+"	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)/C=C/C3=C(C=CC=C3Cl)Cl	CJTJGXOZIMFJGO-VAWYXSNFSA-N
DG63299	[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate	5908528	NSC689965; CHEMBL266293; [4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate; AKOS002722243; NSC-689965; 4-(3-(4-Methoxyphenyl)acryloyl)phenyl 3-phenylacrylate; 3-Phenylacrylic acid 4-[1-oxo-3-(4-methoxyphenyl)-2-propenyl]phenyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689965	.	.	.	.	384.4	C25H20O4	52.6	572	5.5	29	0	4	8	"InChI=1S/C25H20O4/c1-28-22-13-7-20(8-14-22)9-17-24(26)21-11-15-23(16-12-21)29-25(27)18-10-19-5-3-2-4-6-19/h2-18H,1H3/b17-9+,18-10+"	COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3	LETXSODMMNFWLG-BEQMOXJMSA-N
DG63300	"Benzenepropenoic acid, phenyl ester"	5909308	"NSC626883; CHEMBL1998682; Benzenepropenoic acid, phenyl ester; ZINC1618779; NSC-626883"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626883	.	.	.	.	400.4	C25H20O5	61.8	599	5.6	30	0	5	9	"InChI=1S/C25H20O5/c1-28-23-18-20(13-15-24(26)30-21-10-6-3-7-11-21)12-14-22(23)25(27)29-17-16-19-8-4-2-5-9-19/h2-18H,1H3/b15-13+,17-16+"	COC1=C(C=CC(=C1)/C=C/C(=O)OC2=CC=CC=C2)C(=O)O/C=C/C3=CC=CC=C3	KWKVWLLCZGKCMZ-TZSXFDEBSA-N
DG63301	"2,4,6-triisopropyl-N-[(E)-(1,7,7-trimethylnorbornan-2-ylidene)amino]benzenesulfonamide"	5910589	"NSC683839; CHEMBL1994529; NSC-683839; 2,4,6-Triisopropyl-N'-(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)benzenesulfonohydrazide; 2,4,6-triisopropyl-N-[(E)-(1,7,7-trimethylnorbornan-2-ylidene)amino]benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683839	.	.	.	.	432.7	C25H40N2O2S	66.9	745	6.7	30	1	4	6	"InChI=1S/C25H40N2O2S/c1-15(2)18-12-20(16(3)4)23(21(13-18)17(5)6)30(28,29)27-26-22-14-19-10-11-25(22,9)24(19,7)8/h12-13,15-17,19,27H,10-11,14H2,1-9H3/b26-22+"	CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N/N=C/2\\CC3CCC2(C3(C)C)C)C(C)C	YKFIGPHOAFYJHB-XTCLZLMSSA-N
DG63302	"phenyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate"	5910817	"NSC700127; CHEMBL471973; caffeic acid phenyl ester; Caffeic acid phenyl; phenyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; BDBM50479626; NSC-700127; Phenyl 3-(3,4-dihydroxyphenyl)acrylate; 2-Propenoic acid,4-dihydroxyphenyl)-, phenyl ester, (2E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700127	.	.	.	.	256.25	C15H12O4	66.8	320	3	19	2	4	4	"InChI=1S/C15H12O4/c16-13-8-6-11(10-14(13)17)7-9-15(18)19-12-4-2-1-3-5-12/h1-10,16-17H/b9-7+"	C1=CC=C(C=C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)O	LDBPIZIYTBIRPM-VQHVLOKHSA-N
DG63303	1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-naphthalen-1-ylurea	5911253	NSC680930; CHEMBL1970334; NSC-680930	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680930	.	.	.	.	332.4	C20H20N4O	56.7	457	3.9	25	2	3	4	"InChI=1S/C20H20N4O/c1-24(2)17-12-10-15(11-13-17)14-21-23-20(25)22-19-9-5-7-16-6-3-4-8-18(16)19/h3-14H,1-2H3,(H2,22,23,25)/b21-14-"	CN(C)C1=CC=C(C=C1)/C=N\\NC(=O)NC2=CC=CC3=CC=CC=C32	LLDLVXDEARUDBL-STZFKDTASA-N
DG63304	"Thiourea,N-dimethyl-N'-[4-[(2-thienyl)methyl]-3-thioxo-1,2,4-dithiazolidin-5-ylidene]-"	5911714	"NSC645618; CHEMBL2003473; NSC-645618; Thiourea,N-dimethyl-N'-[4-[(2-thienyl)methyl]- 3-thioxo-1,2,4-dithiazolidin-5-ylidene]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645618	.	.	.	.	333.6	C10H11N3S5	162	382	3	18	0	5	2	"InChI=1S/C10H11N3S5/c1-12(2)8(14)11-9-13(10(15)18-17-9)6-7-4-3-5-16-7/h3-5H,6H2,1-2H3/b11-9-"	CN(C)C(=S)/N=C\\1/N(C(=S)SS1)CC2=CC=CS2	OPALQZRLQUAKIG-LUAWRHEFSA-N
DG63305	"N,N-diethyl-4-[(E)-2-(4-methylquinolin-2-yl)ethenyl]aniline"	5912102	NSC16520; NSC-16520; ZINC16968782	.	.	Investigative Drug(s)	Investigative	Small molecular drug	16520	.	.	.	.	316.4	C22H24N2	16.1	393	5.7	24	0	2	5	"InChI=1S/C22H24N2/c1-4-24(5-2)20-14-11-18(12-15-20)10-13-19-16-17(3)21-8-6-7-9-22(21)23-19/h6-16H,4-5H2,1-3H3/b13-10+"	CCN(CC)C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=C2)C	GNKKEOQOUXCYQD-JLHYYAGUSA-N
DG63306	1-[(Z)-(4-methoxyphenyl)methylideneamino]-3-naphthalen-1-ylurea	5914027	NSC680934; CHEMBL1976354; NSC-680934	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680934	.	.	.	.	319.4	C19H17N3O2	62.7	432	3.8	24	2	3	4	"InChI=1S/C19H17N3O2/c1-24-16-11-9-14(10-12-16)13-20-22-19(23)21-18-8-4-6-15-5-2-3-7-17(15)18/h2-13H,1H3,(H2,21,22,23)/b20-13-"	COC1=CC=C(C=C1)/C=N\\NC(=O)NC2=CC=CC3=CC=CC=C32	HAMQKADPBGABCI-MOSHPQCFSA-N
DG63307	"2-Cinnamoyl-8-(hydroxy(oxido)amino)-7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline"	5914033	"NSC628650; CHEMBL2006477; NSC-628650; (E)-1-(7-methoxy-1-methyl-8-nitro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-phenyl-prop-2-en-1-one; 2-Cinnamoyl-8-(hydroxy(oxido)amino)-7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-.beta.-carboline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628650	.	.	.	.	391.4	C22H21N3O4	91.2	643	3.7	29	1	4	3	"InChI=1S/C22H21N3O4/c1-14-20-17(16-9-10-18(29-2)22(25(27)28)21(16)23-20)12-13-24(14)19(26)11-8-15-6-4-3-5-7-15/h3-11,14,23H,12-13H2,1-2H3/b11-8+"	CC1C2=C(CCN1C(=O)/C=C/C3=CC=CC=C3)C4=C(N2)C(=C(C=C4)OC)[N+](=O)[O-]	KAALNPSYWZITQC-DHZHZOJOSA-N
DG63308	"Thiourea,4,5-trimethoxyphenyl)methyl]-5-thioxo-1,2,4-dithiazol-2-ylidene]-N',N'-dimethyl-"	5914108	"NSC645621; CHEMBL1995702; NSC-645621; Thiourea,4,5-trimethoxyphenyl)methyl]-5-thioxo- 1,2,4-dithiazol-2-ylidene]-N',N'-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645621	.	.	.	.	417.6	C15H19N3O3S4	161	518	3.2	25	0	7	5	"InChI=1S/C15H19N3O3S4/c1-17(2)13(22)16-14-18(15(23)25-24-14)8-9-6-10(19-3)12(21-5)11(7-9)20-4/h6-7H,8H2,1-5H3/b16-14-"	CN(C)C(=S)/N=C\\1/N(C(=S)SS1)CC2=CC(=C(C(=C2)OC)OC)OC	MWJKBPKYUGROES-PEZBUJJGSA-N
DG63309	"1-Methyl-4-[2-(2,4,5-trimethoxyphenyl)vinyl]quinolinium"	5914264	"NSC180260; CHEMBL1870374; ZINC1730732; NCGC00186212-01; NCGC00186212-02; AT-051/43422443; 1-methyl-4-[2-(2,4,5-trimethoxyphenyl)vinyl]quinolinium; 1-methyl-4-[(E)-2-(2,4,5-trimethoxyphenyl)vinyl]quinolin-1-ium; 1-Methyl-4-(2-(2,4,5-trimethoxyphenyl)vinyl)-1lambda~5~-quinoline; Quinolinium, {1-methyl-4-[2-(2,4,5-trimethoxyphenyl)ethenyl]-,} iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	180260	.	.	.	.	336.4	C21H22NO3+	31.6	441	4.5	25	0	3	5	"InChI=1S/C21H22NO3/c1-22-12-11-15(17-7-5-6-8-18(17)22)9-10-16-13-20(24-3)21(25-4)14-19(16)23-2/h5-14H,1-4H3/q+1/b10-9+"	C[N+]1=CC=C(C2=CC=CC=C21)/C=C/C3=CC(=C(C=C3OC)OC)OC	XHLBTVGEPJKETM-MDZDMXLPSA-N
DG63310	(5E)-2-[(4-ethoxyanilino)methyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one	5915890	NSC639539; CHEMBL1964860; NSC-639539	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639539	.	.	.	.	351.4	C22H25NO3	47.6	482	4.5	26	1	4	7	"InChI=1S/C22H25NO3/c1-3-26-20-12-10-19(11-13-20)23-15-18-9-8-17(22(18)24)14-16-6-4-5-7-21(16)25-2/h4-7,10-14,18,23H,3,8-9,15H2,1-2H3/b17-14+"	CCOC1=CC=C(C=C1)NCC2CC/C(=C\\C3=CC=CC=C3OC)/C2=O	JFBYNRPGOFKHKP-SAPNQHFASA-N
DG63311	3-[(4Z)-4-[(3-hydroxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one	5916453	"NSC657366; ZINC5851494; NSC-657366; 3-(4-(3-Hydroxybenzylidene)-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl)-2-phenyl-4(3H)-quinazolinone; 3-[(4Z)-4-[(3-hydroxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657366	.	.	.	.	484.5	C30H20N4O3	85.6	975	5.3	37	1	5	3	"InChI=1S/C30H20N4O3/c35-23-15-9-10-20(18-23)19-26-30(37)34(28(32-26)22-13-5-2-6-14-22)33-27(21-11-3-1-4-12-21)31-25-17-8-7-16-24(25)29(33)36/h1-19,35H/b26-19-"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N4C(=N/C(=C\\C5=CC(=CC=C5)O)/C4=O)C6=CC=CC=C6	IVWHOSKGAIBAAZ-XHPQRKPJSA-N
DG63312	NC-758 Free base	5916501	"NC-758 Free base; UNII-6KT3M399XQ; 6KT3M399XQ; NSC602066; CHEMBL1740249; ZINC5759134; Q27896224; 1-Penten-3-one, 1,1'-(1,4-phenylene)bis(5-(diethylamino)-4,4-dimethyl-, (E,E)-; 1-Penten-3-one, 1,1'-(1,4-phenylene)bis[5-(diethylamino)- 4, 4-dimethyl-, dihydrobromide; (E)-5-(diethylamino)-1-[4-[(E)-5-(diethylamino)-4,4-dimethyl-3-oxo-pent-1-enyl]phenyl]-4,4-dimethyl-pent-1-en-3-one; 1-Penten-3-one, {1,1'-(1,4-phenylene)bis[5-(diethylamino)-} 4, 4-dimethyl-, dihydrobromide; 125564-12-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602066	.	.	.	.	440.7	C28H44N2O2	40.6	576	5.4	32	0	4	14	"InChI=1S/C28H44N2O2/c1-9-29(10-2)21-27(5,6)25(31)19-17-23-13-15-24(16-14-23)18-20-26(32)28(7,8)22-30(11-3)12-4/h13-20H,9-12,21-22H2,1-8H3/b19-17+,20-18+"	CCN(CC(C(=O)/C=C/C1=CC=C(C=C1)/C=C/C(=O)C(CN(CC)CC)(C)C)(C)C)CC	RHKBXWCHOOPPSM-XPWSMXQVSA-N
DG63313	"7-methyl-3-methylene-6-[(E)-3-oxobut-1-enyl]-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one"	5916519	"NSC136704; CHEMBL1983676; NSC-136704; 3,3a,4,7,8,8a-Hexahydro-3-methylene-7-methyl-6-(3-oxo-1-butenyl)-2H-cyclohepta[b]furan-2-one; 7-Methyl-3-methylene-6-(3-oxo-1-butenyl)-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one; 7-methyl-3-methylene-6-[(E)-3-oxobut-1-enyl]-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136704	.	.	.	.	246.3	C15H18O3	43.4	456	2.1	18	0	3	2	"InChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4+"	CC1CC2C(CC=C1/C=C/C(=O)C)C(=C)C(=O)O2	RBRPTFMVULVGIC-SNAWJCMRSA-N
DG63314	"N-[(E)-2-(2,5-dihydroxyphenyl)vinyl]-N-methyl-formamide"	5916696	"NSC625300; CHEMBL1981647; ZINC1618119; NSC-625300; 2-(2,5-Dihydroxyphenyl)vinyl(methyl)formamide; N-[(E)-2-(2,5-dihydroxyphenyl)vinyl]-N-methyl-formamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625300	.	.	.	.	193.2	C10H11NO3	60.8	217	1	14	2	3	2	"InChI=1S/C10H11NO3/c1-11(7-12)5-4-8-6-9(13)2-3-10(8)14/h2-7,13-14H,1H3/b5-4+"	CN(/C=C/C1=C(C=CC(=C1)O)O)C=O	MTTXFSXSYRJBBU-SNAWJCMRSA-N
DG63315	"3,17-dihydroxy-13-methyl-2-(2,2,2-trifluoroethoxy)-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one oxime"	5916745	"NSC681683; 3,17-Dihydroxy-2-(2,2,2-trifluoroethoxy)estra-1,3,5(10)-trien-6-one oxime; 3,17-dihydroxy-13-methyl-2-(2,2,2-trifluoroethoxy)-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one oxime"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681683	.	.	.	.	399.4	C20H24F3NO4	82.3	627	4.2	28	3	8	2	"InChI=1S/C20H24F3NO4/c1-19-5-4-10-11-8-17(28-9-20(21,22)23)16(25)7-13(11)15(24-27)6-12(10)14(19)2-3-18(19)26/h7-8,10,12,14,18,25-27H,2-6,9H2,1H3/b24-15-"	CC12CCC3C(C1CCC2O)C/C(=N/O)/C4=CC(=C(C=C34)OCC(F)(F)F)O	DNICCASOGBIQBS-IWIPYMOSSA-N
DG63316	"3-(2-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazino)-1-phenyl-2-propenyl 2-methylphenyl sulfide"	5916893	"NSC640630; CHEMBL1988932; NSC-640630; 1-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)-2-[(E)-3-(o-tolylsulfanyl)-3-phenyl-prop-1-enyl]hydrazine; 3-(2-(3-((2-Methylphenyl)thio)-3-phenyl-1-propenyl)hydrazino)-5,6-diphenyl-2,5-dihydro-1,2,4-triazine; 3-(2-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazino)-1-phenyl-2-propenyl 2-methylphenyl sulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640630	.	.	.	.	503.7	C31H29N5S	86.1	777	7.4	37	3	4	9	"InChI=1S/C31H29N5S/c1-23-13-11-12-20-27(23)37-28(24-14-5-2-6-15-24)21-22-32-35-31-33-29(25-16-7-3-8-17-25)30(34-36-31)26-18-9-4-10-19-26/h2-22,28-29,32H,1H3,(H2,33,35,36)/b22-21+"	CC1=CC=CC=C1SC(/C=C/NNC2=NC(C(=NN2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5	GUTPNHLGSTVLGX-QURGRASLSA-N
DG63317	NSC114570	5917065	"[9-(chloromethyl)-1,9,11-trihydroxy-14-methyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl] (E)-2-methylbut-2-enoate; CHEMBL1970646; NSC114570; NSC-114570"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114570	.	.	.	.	428.9	C20H25ClO8	126	825	0.2	29	3	8	4	"InChI=1S/C20H25ClO8/c1-5-8(2)16(23)27-10-6-19(25,7-21)13-12(22)15-18(4,29-15)20(13,26)14-11(10)9(3)17(24)28-14/h5,10-15,22,25-26H,3,6-7H2,1-2,4H3/b8-5+"	C/C=C(\\C)/C(=O)OC1CC(C2C(C3C(C2(C4C1C(=C)C(=O)O4)O)(O3)C)O)(CCl)O	ZKXZLEVGQXDZEP-VMPITWQZSA-N
DG63318	"(3Z)-3-(4-benzyl-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene)-1,1-dimethylthiourea"	5917066	NSC645616; CHEMBL1992270; NSC-645616	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645616	.	.	.	.	327.5	C12H13N3S4	134	388	3.3	19	0	4	2	"InChI=1S/C12H13N3S4/c1-14(2)10(16)13-11-15(12(17)19-18-11)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/b13-11-"	CN(C)C(=S)/N=C\\1/N(C(=S)SS1)CC2=CC=CC=C2	OEWZOYXMHZWAPJ-QBFSEMIESA-N
DG63319	4-(2-pyridyl)-N-[(Z)-1-thiazol-2-ylethylideneamino]piperazine-1-carbothioamide	5917427	"NSC354671; CHEMBL204576; ZINC16940502; 1-Piperazinecarbothioic acid, 4-(2-pyridinyl)-, [1-(2-thiazolyl)ethylidene]hydrazide; 4-(2-pyridyl)-N-[(Z)-1-thiazol-2-ylethylideneamino]piperazine-1-carbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	354671	.	.	.	.	346.5	C15H18N6S2	117	436	2.2	23	1	6	3	"InChI=1S/C15H18N6S2/c1-12(14-17-6-11-23-14)18-19-15(22)21-9-7-20(8-10-21)13-4-2-3-5-16-13/h2-6,11H,7-10H2,1H3,(H,19,22)/b18-12-"	C/C(=N/NC(=S)N1CCN(CC1)C2=CC=CC=N2)/C3=NC=CS3	YEZYPWUWHPJFLE-PDGQHHTCSA-N
DG63320	2-((2-(Benzoylamino)-3-(4-(dimethylamino)phenyl)acryloyl)amino)-N-benzylbenzamide	5917744	NSC686417; CHEMBL1984996; NSC-686417; 2-((2-(Benzoylamino)-3-(4-(dimethylamino)phenyl)acryloyl)amino)-N-benzylbenzamide; 2-[[(Z)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-N-benzyl-benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686417	.	.	.	.	518.6	C32H30N4O3	90.5	836	5.7	39	3	4	9	"InChI=1S/C32H30N4O3/c1-36(2)26-19-17-23(18-20-26)21-29(35-30(37)25-13-7-4-8-14-25)32(39)34-28-16-10-9-15-27(28)31(38)33-22-24-11-5-3-6-12-24/h3-21H,22H2,1-2H3,(H,33,38)(H,34,39)(H,35,37)/b29-21-"	CN(C)C1=CC=C(C=C1)/C=C(/C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)\\NC(=O)C4=CC=CC=C4	LIGIWABQBAKFAW-ANYBSYGZSA-N
DG63321	2-[[(Z)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid	5917748	NSC686422; CHEMBL1985149; NSC-686422; 2-[[(Z)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid; N-(2-(Benzoylamino)-3-(4-(dimethylamino)phenyl)acryloyl)tryptophan	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686422	.	.	.	.	496.6	C29H28N4O4	115	830	3.7	37	4	5	9	"InChI=1S/C29H28N4O4/c1-33(2)22-14-12-19(13-15-22)16-25(31-27(34)20-8-4-3-5-9-20)28(35)32-26(29(36)37)17-21-18-30-24-11-7-6-10-23(21)24/h3-16,18,26,30H,17H2,1-2H3,(H,31,34)(H,32,35)(H,36,37)/b25-16-"	CN(C)C1=CC=C(C=C1)/C=C(/C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)\\NC(=O)C4=CC=CC=C4	BQXJKMKXYAFKGB-XYGWBWBKSA-N
DG63322	2-Bromochalcone	5918180	NSC700203; CMLDBU00003522; 2-Bromochalcone; 2-Bromo-trans-chalcone; CHEMBL243165; SCHEMBL8512872; AKOS008685166; NSC-700203; 3-(2-Bromophenyl)-1-phenyl-2-propen-1-one; (E)-3-(2-bromophenyl)-1-phenyl-prop-2-en-1-one; (2E)-3-(2-BROMOPHENYL)-1-PHENYLPROP-2-EN-1-ONE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700203	.	.	.	.	287.15	C15H11BrO	17.1	279	4.4	17	0	1	3	InChI=1S/C15H11BrO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-11H/b11-10+	C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2Br	OLPPSDMJGDTGJV-ZHACJKMWSA-N
DG63323	"2-Hydroxy-3-[3-(4-chlorophenyl)propenoyl]cyclohepta-2,4,6-triene-1-one"	5918418	"NSC356777; CHEMBL1985939; ZINC17140038; NSC-356777; 2-Propen-1-one,3,5-cycloheptriene-2-yl)-; AP-355/40633886; 2-Hydroxy-3-[3-(4-chlorophenyl)propenoyl]cyclohepta-2,4,6-triene-1-one; 3-[3-(4-chlorophenyl)acryloyl]-2-hydroxy-2,4,6-cycloheptatrien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	356777	.	.	.	.	286.71	C16H11ClO3	54.4	518	4.1	20	1	3	3	"InChI=1S/C16H11ClO3/c17-12-8-5-11(6-9-12)7-10-14(18)13-3-1-2-4-15(19)16(13)20/h1-10H,(H,19,20)/b10-7+"	C1=CC(=C(C(=O)C=C1)O)C(=O)/C=C/C2=CC=C(C=C2)Cl	JQEWCOHNNUNQRQ-JXMROGBWSA-N
DG63324	N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyrimidin-4-amine	5918602	NSC693619; CHEMBL1966503; NSC-693619	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693619	.	.	.	.	275.31	C16H13N5	63.1	338	3.3	21	1	5	4	"InChI=1S/C16H13N5/c1-2-6-13(7-3-1)16(14-8-4-5-10-18-14)21-20-15-9-11-17-12-19-15/h1-12H,(H,17,19,20)/b21-16-"	C1=CC=C(C=C1)/C(=N/NC2=NC=NC=C2)/C3=CC=CC=N3	GIWZVVFHOPDRFU-PGMHBOJBSA-N
DG63325	Benzyl caffeate	5919576	"Benzyl caffeate; (E)-Benzyl 3-(3,4-dihydroxyphenyl)acrylate; Caffeic Acid Benzyl Ester; 107843-77-6; 130734-47-3; benzyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; UNII-BD29SJL432; BD29SJL432; CHEMBL133714; NSC666590; Benzyl 3-(3,4-Dihydroxyphenyl)Acrylate; Phenylmethyl caffeate; benzyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; NSC 666590; Benzyl-(E)-caffeate; Phenylmethyl 3-(3,4-dihydroxyphenyl)-2-Propenoate; Benzyl 3,4-dihydroxycinnamate; MEGxp0_000689; ZINC1642250; BDBM50029198; MFCD09752937; NSC-666590; CS-0363076; Y6985; Benzyl (E)-3-(3,4-dihydroxyphenyl)acrylate; A801008; Phenylmethyl 1-(3',4'-Dihydroxyphenyl)Propenate; 3-(3,4-Dihydroxy-phenyl)-acrylic acid benzyl ester; J-501993; Phenylmethyl 1-(3'',4''-dihydroxyphenyl)propenate; (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid benzyl ester; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, phenylmethyl ester; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, phenylmethyl ester, (2Z)-; benzyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate;Phenethyl 3-(3,4-Dihydroxyphenyl)acrylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666590	.	.	.	.	270.28	C16H14O4	66.8	333	3.1	20	2	4	5	"InChI=1S/C16H14O4/c17-14-8-6-12(10-15(14)18)7-9-16(19)20-11-13-4-2-1-3-5-13/h1-10,17-18H,11H2/b9-7+"	C1=CC=C(C=C1)COC(=O)/C=C/C2=CC(=C(C=C2)O)O	WWVKQTNONPWVEL-VQHVLOKHSA-N
DG63326	(Z)-3-[4-[2-cyanoethyl(methyl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile	5919582	NSC338519; MLS003170931; CHEMBL4296997; ZINC1578144; NSC-338519; (Z)-3-[4-[2-cyanoethyl(methyl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile; 3-(4-((2-Cyanoethyl)(methyl)amino)phenyl)-2-(3-(trifluoromethyl)phenyl)acrylonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338519	.	.	.	.	355.4	C20H16F3N3	50.8	584	4.4	26	0	6	5	"InChI=1S/C20H16F3N3/c1-26(11-3-10-24)19-8-6-15(7-9-19)12-17(14-25)16-4-2-5-18(13-16)20(21,22)23/h2,4-9,12-13H,3,11H2,1H3/b17-12+"	CN(CCC#N)C1=CC=C(C=C1)/C=C(\\C#N)/C2=CC(=CC=C2)C(F)(F)F	WERHYBQYOCWWJJ-SFQUDFHCSA-N
DG63327	"(2Z)-5-amino-2-benzylidene-6-morpholino-8H-imidazo[1,2-a]pyrimidine-3,7-dione"	5920966	"NSC684391; CHEMBL1997851; NSC-684391; (2Z)-5-amino-2-benzylidene-6-morpholino-8H-imidazo[1,2-a]pyrimidine-3,7-dione; 5-Amino-2-benzylidene-6-(4-morpholinyl)-2,8-dihydroimidazo[1,2-a]pyrimidine-3,7-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684391	.	.	.	.	339.3	C17H17N5O3	100	684	1	25	2	5	2	"InChI=1S/C17H17N5O3/c18-14-13(21-6-8-25-9-7-21)15(23)20-17-19-12(16(24)22(14)17)10-11-4-2-1-3-5-11/h1-5,10H,6-9,18H2,(H,19,20,23)/b12-10-"	C1COCCN1C2=C(N3C(=O)/C(=C/C4=CC=CC=C4)/NC3=NC2=O)N	FRHBDSSHYRTEAL-BENRWUELSA-N
DG63328	1-(2-Chlorophenyl)-3-(1-naphthyl)prop-2-en-1-one	5921231	NSC640534; 1-(2-chlorophenyl)-3-(1-naphthyl)prop-2-en-1-one; CHEMBL1981670; SCHEMBL21379750; ZINC16957583; NSC-640534; 1-(2-Chlorophenyl)-3-(1-naphthyl)-2-propen-1-one; (E)-1-(2-chlorophenyl)-3-(1-naphthyl)prop-2-en-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640534	.	.	.	.	292.8	C19H13ClO	17.1	389	5.6	21	0	1	3	InChI=1S/C19H13ClO/c20-18-11-4-3-10-17(18)19(21)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13H/b13-12+	C1=CC=C2C(=C1)C=CC=C2/C=C/C(=O)C3=CC=CC=C3Cl	WXNBNBAXTJIKSU-OUKQBFOZSA-N
DG63329	N'-(1-(2-Pyridinyl)butylidene)-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide	5921457	"NSC335791; 86919-63-3; CHEMBL1970647; DTXSID70421364; NSC-335791; {3-Azabicyclo[3.2.2]nonane-3-carbothioic} acid, {[1-(2-pyridinyl)butylidene]hydrazide}; 3-Azabicyclo[3.2.2]nonane-3-carbothioic acid, [1-(2-pyridinyl)butylidene]hydrazide; N'-(1-(2-Pyridinyl)butylidene)-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide; N-[(E)-1-(2-pyridyl)butylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	335791	.	.	.	.	330.5	C18H26N4S	72.6	415	3.6	23	1	3	4	"InChI=1S/C18H26N4S/c1-2-5-17(16-6-3-4-11-19-16)20-21-18(23)22-12-14-7-8-15(13-22)10-9-14/h3-4,6,11,14-15H,2,5,7-10,12-13H2,1H3,(H,21,23)/b20-17+"	CCC/C(=N\\NC(=S)N1CC2CCC(C1)CC2)/C3=CC=CC=N3	SXEPBWUAUNIYCG-LVZFUZTISA-N
DG63330	"3-phenylpropyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate"	5922182	"NSC666589; CHEMBL131982; phenylpropyl caffeate; SCHEMBL2602741; 3-phenylpropyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; ZINC1642248; BDBM50029219; NSC-666589; 3-Phenyl-1-propyl 3,4-dihydroxycinnamate; 3,4-Dihydroxycinnamic acid 3-phenylpropyl ester; 3-(3,4-Dihydroxyphenyl)acrylic acid 3-phenylpropyl ester; 3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-phenyl-propyl ester; (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-phenyl-propyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666589	.	.	.	.	298.3	C18H18O4	66.8	360	4.6	22	2	4	7	"InChI=1S/C18H18O4/c19-16-10-8-15(13-17(16)20)9-11-18(21)22-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13,19-20H,4,7,12H2/b11-9+"	C1=CC=C(C=C1)CCCOC(=O)/C=C/C2=CC(=C(C=C2)O)O	RUTDTHOYUUOTNF-PKNBQFBNSA-N
DG63331	"5-(morpholin-4-ylmethyl)-3-[(Z)-[(E)-4-(5-nitrofuran-2-yl)but-3-en-2-ylidene]amino]-1,3-oxazolidin-2-one"	5922444	CHEMBL1982266; NSC21622; NSC-21622	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21622	.	.	.	.	364.35	C16H20N4O6	113	584	1.2	26	0	8	5	"InChI=1S/C16H20N4O6/c1-12(2-3-13-4-5-15(25-13)20(22)23)17-19-11-14(26-16(19)21)10-18-6-8-24-9-7-18/h2-5,14H,6-11H2,1H3/b3-2+,17-12-"	C/C(=N/N1CC(OC1=O)CN2CCOCC2)/C=C/C3=CC=C(O3)[N+](=O)[O-]	CMVOURRLBQVUFZ-MLIGFJTESA-N
DG63332	[4-[(E)-(2-oxocyclohexylidene)methyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate	5922684	"NSC693440; CHEMBL129166; NSC-693440; [4-[(E)-(2-oxocyclohexylidene)methyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate; 4-Methoxycinnamic acid 4-(2-oxocyclohexylidenemethyl)phenyl ester; 2-Propenoic acid, 3-(4-methoxyphenyl)-, 4-[(E)-(2-oxocyclohexylidene)methyl]phenyl ester, (2E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693440	.	.	.	.	362.4	C23H22O4	52.6	561	4.8	27	0	4	6	"InChI=1S/C23H22O4/c1-26-20-11-6-17(7-12-20)10-15-23(25)27-21-13-8-18(9-14-21)16-19-4-2-3-5-22(19)24/h6-16H,2-5H2,1H3/b15-10+,19-16+"	COC1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)/C=C/3\\CCCCC3=O	LDFGUVNKVKIFDO-ZREKFDDQSA-N
DG63333	methyl (E)-3-indan-5-ylprop-2-enoate	5923570	"NSC670460; CHEMBL1970024; ZINC1855732; NSC-670460; methyl (E)-3-indan-5-ylprop-2-enoate; Methyl 3-(2,3-dihydro-1H-inden-5-yl)acrylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670460	.	.	.	.	202.25	C13H14O2	26.3	257	3	15	0	2	3	"InChI=1S/C13H14O2/c1-15-13(14)8-6-10-5-7-11-3-2-4-12(11)9-10/h5-9H,2-4H2,1H3/b8-6+"	COC(=O)/C=C/C1=CC2=C(CCC2)C=C1	DMJICDVHTUMQHN-SOFGYWHQSA-N
DG63334	"Hydrazinecarboxamide, N-(1-naphthalenyl)2-[(4-chlorophenyl)methylene]-"	5923589	"NSC680933; CHEMBL2002013; NSC-680933; Benzaldehyde, 1-naphthalenylsemicarbazone; Hydrazinecarboxamide, N-(1-naphthalenyl)2-[(4-chlorophenyl)methylene]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680933	.	.	.	.	323.8	C18H14ClN3O	53.5	421	4.4	23	2	2	3	"InChI=1S/C18H14ClN3O/c19-15-10-8-13(9-11-15)12-20-22-18(23)21-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H2,21,22,23)/b20-12-"	C1=CC=C2C(=C1)C=CC=C2NC(=O)N/N=C\\C3=CC=C(C=C3)Cl	ITJYHKKSTAXFNS-NDENLUEZSA-N
DG63335	1-(2-chlorophenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea	5923821	NSC668333; MLS002702206; CHEMBL1970209; ZINC5957180; NSC-668333; 1-(2-Pyridinyl)ethanone N-(2-chlorophenyl)thiosemicarbazone; 1-(2-chlorophenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668333	.	.	.	.	304.8	C14H13ClN4S	81.4	361	3.3	20	2	3	3	"InChI=1S/C14H13ClN4S/c1-10(12-7-4-5-9-16-12)18-19-14(20)17-13-8-3-2-6-11(13)15/h2-9H,1H3,(H2,17,19,20)/b18-10-"	C/C(=N/NC(=S)NC1=CC=CC=C1Cl)/C2=CC=CC=N2	DIAIPLSVPPGTLG-ZDLGFXPLSA-N
DG63336	1-(o-tolyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea	5923825	NSC668332; CHEMBL1978722; ZINC5741788; NSC-668332; 2-acetylpyridine 4-[2-Methylphenyl]-3-thiosemicarbazone; 1-(2-Pyridinyl)ethanone N-(2-methylphenyl)thiosemicarbazone; 1-(o-tolyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea; (1Z)-1-(2-Pyridinyl)ethanone N-(2-methylphenyl)thiosemicarbazone #; 1-[(E)-1-(2-Pyridinyl)ethylidene]-4-(2-methylphenyl)thiosemicarbazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668332	.	.	.	.	284.4	C15H16N4S	81.4	356	3	20	2	3	3	"InChI=1S/C15H16N4S/c1-11-7-3-4-8-13(11)17-15(20)19-18-12(2)14-9-5-6-10-16-14/h3-10H,1-2H3,(H2,17,19,20)/b18-12-"	CC1=CC=CC=C1NC(=S)N/N=C(/C)\\C2=CC=CC=N2	XQRQVHGTKWQPQV-PDGQHHTCSA-N
DG63337	3-Iodo-3-(trimethylsilyl)-2-propen-1-ol	5924474	NSC617399; CHEMBL1997296; AKOS015963558; NSC-617399; 3-Iodo-3-(trimethylsilyl)-2-propen-1-ol; (Z)-3-iodo-3-trimethylsilyl-prop-2-en-1-ol; (Z)-3-(Trimethylsilyl)-3-iodo-2-propen-1-ol; (Z)-3-Iodo-3-trimethylsilanyl-prop-2-en-1-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617399	.	.	.	.	256.16	C6H13IOSi	20.2	115	.	9	1	1	2	"InChI=1S/C6H13IOSi/c1-9(2,3)6(7)4-5-8/h4,8H,5H2,1-3H3/b6-4+"	C[Si](C)(C)/C(=C/CO)/I	GQJOQGBLWIODJQ-GQCTYLIASA-N
DG63338	"1-[2-[(E)-3-[2-(5,6-diphenyl-4,5-dihydro-1,2,4-triazin-3-yl)hydrazino]-1-phenyl-allyl]sulfanylphenyl]-3-phenyl-thiourea"	5924617	"NSC640632; CHEMBL1992149; NSC-640632; 1-[2-[(E)-3-[2-(5,6-diphenyl-4,5-dihydro-1,2,4-triazin-3-yl)hydrazino]-1-phenyl-allyl]sulfanylphenyl]-3-phenyl-thiourea; Thiourea, N-[2-[[(2E)-3-[2-(4,5-dihydro-5,6-diphenyl-1,2,4-triazin-3-yl)hydrazino]-1-phenyl-2-propenyl]thio]phenyl]-N'-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640632	.	.	.	.	639.8	C37H33N7S2	142	1020	8.2	46	5	5	11	"InChI=1S/C37H33N7S2/c45-37(39-30-21-11-4-12-22-30)40-31-23-13-14-24-33(31)46-32(27-15-5-1-6-16-27)25-26-38-43-36-41-34(28-17-7-2-8-18-28)35(42-44-36)29-19-9-3-10-20-29/h1-26,32,34,38H,(H2,39,40,45)(H2,41,43,44)/b26-25+"	C1=CC=C(C=C1)C2C(=NNC(=N2)NN/C=C/C(C3=CC=CC=C3)SC4=CC=CC=C4NC(=S)NC5=CC=CC=C5)C6=CC=CC=C6	ZJUYMFOFJRHRBN-OCEACIFDSA-N
DG63339	"methyl 2-[(E)-(5,6-dimethyl-1-oxo-indan-2-ylidene)methyl]-5-methyl-benzoate"	5924840	"NSC678369; CHEMBL2000341; NSC-678369; Methyl 2-((5,6-dimethyl-1-oxo-1,3-dihydro-2H-inden-2-ylidene)methyl)-5-methylbenzoate; methyl 2-[(E)-(5,6-dimethyl-1-oxo-indan-2-ylidene)methyl]-5-methyl-benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678369	.	.	.	.	320.4	C21H20O3	43.4	535	4.7	24	0	3	3	"InChI=1S/C21H20O3/c1-12-5-6-15(19(7-12)21(23)24-4)10-17-11-16-8-13(2)14(3)9-18(16)20(17)22/h5-10H,11H2,1-4H3/b17-10+"	CC1=CC(=C(C=C1)/C=C/2\\CC3=C(C2=O)C=C(C(=C3)C)C)C(=O)OC	UXLOMCGGBKKQDP-LICLKQGHSA-N
DG63340	"2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinoxaline"	5925925	NSC166679; CHEMBL1967503; ZINC6403387; NSC-166679	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166679	.	.	.	.	322.4	C19H18N2O3	53.5	403	3.4	24	0	5	5	"InChI=1S/C19H18N2O3/c1-22-14-10-18(23-2)15(19(11-14)24-3)9-8-13-12-20-16-6-4-5-7-17(16)21-13/h4-12H,1-3H3/b9-8+"	COC1=CC(=C(C(=C1)OC)/C=C/C2=NC3=CC=CC=C3N=C2)OC	DANBYOBBNCPSLQ-CMDGGOBGSA-N
DG63341	"(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-N,N-dimethylprop-2-enamide"	5925971	CHEMBL2006268; ZINC1755809; NSC220471; NSC-220471	.	.	Investigative Drug(s)	Investigative	Small molecular drug	220471	.	.	.	.	209.2	C9H11N3O3	78.5	369	-1.1	15	2	3	2	"InChI=1S/C9H11N3O3/c1-12(2)7(13)4-3-6-5-10-9(15)11-8(6)14/h3-5H,1-2H3,(H2,10,11,14,15)/b4-3+"	CN(C)C(=O)/C=C/C1=CNC(=O)NC1=O	TYFMCACWXPVVNP-ONEGZZNKSA-N
DG63342	"methyl (E)-3-(2,2'-spirobi[indane]-5'-yl)prop-2-enoate"	5926262	"NSC670415; CHEMBL1991347; ZINC1855612; NSC-670415; methyl (E)-3-(2,2'-spirobi[indane]-5'-yl)prop-2-enoate; 2-Propenoic acid, 3-(1,1',3,3'-tetrahydro-2,2'-spirobi[2H-inden]-5-yl)-, methyl ester, (2E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670415	.	.	.	.	304.4	C21H20O2	26.3	466	4.6	23	0	2	3	"InChI=1S/C21H20O2/c1-23-20(22)9-7-15-6-8-18-13-21(14-19(18)10-15)11-16-4-2-3-5-17(16)12-21/h2-10H,11-14H2,1H3/b9-7+"	COC(=O)/C=C/C1=CC2=C(CC3(C2)CC4=CC=CC=C4C3)C=C1	LMFDBWKYNJXUEE-VQHVLOKHSA-N
DG63343	"methyl N-[(E)-8-[4-[(2E)-hexa-2,5-dienyl]-1,3-thiazol-2-yl]-7-hydroxy-8-methyl-3-methylidenenon-4-enyl]carbamate"	5926799	"CHEMBL1976641; NSC647640; NSC-647640; Carbamic acid,5-hexadienyl)-2-thiazolyl]-7-hydroxy-8-methyl-3-methylene-4-nonenyl]-, methyl ester,"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647640	.	.	.	.	404.6	C22H32N2O3S	99.7	572	5.5	28	2	5	13	"InChI=1S/C22H32N2O3S/c1-6-7-8-9-12-18-16-28-20(24-18)22(3,4)19(25)13-10-11-17(2)14-15-23-21(26)27-5/h6,8-11,16,19,25H,1-2,7,12-15H2,3-5H3,(H,23,26)/b9-8+,11-10+"	CC(C)(C1=NC(=CS1)C/C=C/CC=C)C(C/C=C/C(=C)CCNC(=O)OC)O	WOVFSYAJXQSJES-BNFZFUHLSA-N
DG63344	"Cyclopentanone, 2-[(4-chlorophenyl)aminomethyl]-5-[(4-chlorophenyl)methylene]-"	5927311	"MLS002701694; NSC639543; CHEMBL1996340; NSC-639543; Cyclopentanone, 2-[(4-chlorophenyl)aminomethyl]-5-[(4- chlorophenyl)methylene]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639543	.	.	.	.	346.2	C19H17Cl2NO	29.1	435	5.4	23	1	2	4	"InChI=1S/C19H17Cl2NO/c20-16-5-1-13(2-6-16)11-14-3-4-15(19(14)23)12-22-18-9-7-17(21)8-10-18/h1-2,5-11,15,22H,3-4,12H2/b14-11+"	C1C/C(=C\\C2=CC=C(C=C2)Cl)/C(=O)C1CNC3=CC=C(C=C3)Cl	JOAUFDHOAGJLJG-SDNWHVSQSA-N
DG63345	"(E)-4,4,4-trichloro-N-(4-chlorophenyl)but-2-enamide"	5927763	"NSC604586; MLS002701739; 2-Butenamide,4,4-trichloro-; (E)-4,4,4-trichloro-N-(4-chlorophenyl)but-2-enamide; CHEMBL1895682; ZINC1608489; CCG-36210; NSC-604586; SMR001565335; 4,4,4-Trichloro-N-(4-chlorophenyl)-2-butenamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	604586	.	.	.	.	299	C10H7Cl4NO	29.1	267	3.8	16	1	1	2	"InChI=1S/C10H7Cl4NO/c11-7-1-3-8(4-2-7)15-9(16)5-6-10(12,13)14/h1-6H,(H,15,16)/b6-5+"	C1=CC(=CC=C1NC(=O)/C=C/C(Cl)(Cl)Cl)Cl	HQGDREXJVGMAEY-AATRIKPKSA-N
DG63346	"1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione"	5927776	"NSC666298; CHEMBL1979185; SCHEMBL17691541; NSC-666298; 1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione; (1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666298	.	.	.	.	364.3	C21H16O6	71.1	560	3.6	27	0	6	6	"InChI=1S/C21H16O6/c22-16(5-1-14-3-7-18-20(9-14)26-12-24-18)11-17(23)6-2-15-4-8-19-21(10-15)27-13-25-19/h1-10H,11-13H2/b5-1+,6-2+"	C1OC2=C(O1)C=CC(=C2)/C=C/C(=O)CC(=O)/C=C/C3=CC4=C(OCO4)C=C3	RAKTYHYXXBELPJ-IJIVKGSJSA-N
DG63347	(2-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate	5928358	NSC700136; CHEMBL1974686; (2-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate; NSC-700136; 2-Methoxyphenyl 3-(4-methoxyphenyl)acrylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700136	.	.	.	.	284.31	C17H16O4	44.8	345	3.4	21	0	4	6	"InChI=1S/C17H16O4/c1-19-14-10-7-13(8-11-14)9-12-17(18)21-16-6-4-3-5-15(16)20-2/h3-12H,1-2H3/b12-9+"	COC1=CC=C(C=C1)/C=C/C(=O)OC2=CC=CC=C2OC	ISUOKEPGSJEYPJ-FMIVXFBMSA-N
DG63348	Bis(methylthio)maleonitrile	5929688	"Bis(methylthio)maleonitrile; NSC14022; bis-methylsulfanyl-fumaronitrile; Maleonitrile, bis(methylthio)-; SCHEMBL9710760; CHEMBL1964625; bis-(methylmercapto)-fumaronitrile; ZINC1592101; NSC-14022; 2,3-Bis(methylthio)2-butenedinitrile; 2-Butenedinitrile,3-bis(methylthio)-, (Z)-; 7373-02-6; 7373-03-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14022	.	.	.	.	170.3	C6H6N2S2	98.2	211	1.4	10	0	4	2	InChI=1S/C6H6N2S2/c1-9-5(3-7)6(4-8)10-2/h1-2H3/b6-5+	CS/C(=C(\\C#N)/SC)/C#N	JYGDGMIEJUMABD-AATRIKPKSA-N
DG63349	"Quinoline, 4-(2,5-dimethoxystyryl)-"	5929717	"Quinoline, 4-(2,5-dimethoxystyryl)-; NSC69603; MLS002702877; 2859-52-1; 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinoline; 4-[2-(2,5-dimethoxyphenyl)ethenyl]quinoline; Quinoline,5-dimethoxystyryl)-; CHEMBL1717481; ZINC8626498; NSC-69603; NCGC00184057-01; NCGC00184057-02; NCGC00184057-03; NCGC00184057-04; NCGC00184057-05; NCGC00184057-06; NCGC00184057-07; NCGC00184057-08; NCGC00184057-09; NCGC00184057-10; NCGC00184057-11; NCGC00184057-12; NCGC00184057-13; SMR001566695; 4-[(E)-2-(2,5-dimethoxyphenyl)vinyl]quinoline; Quinoline, 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69603	.	.	.	.	291.3	C19H17NO2	31.4	370	4.4	22	0	3	4	"InChI=1S/C19H17NO2/c1-21-16-9-10-19(22-2)15(13-16)8-7-14-11-12-20-18-6-4-3-5-17(14)18/h3-13H,1-2H3/b8-7+"	COC1=CC(=C(C=C1)OC)/C=C/C2=CC=NC3=CC=CC=C23	SKSPBGAEBWSFCS-BQYQJAHWSA-N
DG63350	1-[4-[2-(4-Chlorophenyl)ethenyl]phenyl]-2-(dimethylamino)ethanol	5929908	7148-00-7; 1-[4-[2-(4-chlorophenyl)ethenyl]phenyl]-2-(dimethylamino)ethanol; NSC26037; NSC-26037	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26037	.	.	.	.	301.8	C18H20ClNO	23.5	315	4	21	1	2	5	"InChI=1S/C18H20ClNO/c1-20(2)13-18(21)16-9-5-14(6-10-16)3-4-15-7-11-17(19)12-8-15/h3-12,18,21H,13H2,1-2H3/b4-3+"	CN(C)CC(C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)Cl)O	KBGPTRHFMZERIT-ONEGZZNKSA-N
DG63351	"3-(2-(Hydroxyimino)-1,2-bis(4-methoxyphenyl)ethyl)-1-benzofuran-2(3H)-one"	5929993	"NSC641607; CHEMBL1998388; NSC-641607; 3-(2-(Hydroxyimino)-1,2-bis(4-methoxyphenyl)ethyl)-1-benzofuran-2(3H)-one; 3-[(2E)-2-hydroxyimino-1,2-bis(4-methoxyphenyl)ethyl]-3H-benzofuran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641607	.	.	.	.	403.4	C24H21NO5	77.4	607	4.6	30	1	6	6	"InChI=1S/C24H21NO5/c1-28-17-11-7-15(8-12-17)21(22-19-5-3-4-6-20(19)30-24(22)26)23(25-27)16-9-13-18(29-2)14-10-16/h3-14,21-22,27H,1-2H3/b25-23-"	COC1=CC=C(C=C1)C(C2C3=CC=CC=C3OC2=O)/C(=N\\O)/C4=CC=C(C=C4)OC	FBWAFBVOCIGTGV-BZZOAKBMSA-N
DG63352	(3E)-3-[(5-methoxy-2-phenyl-phenyl)hydrazono]piperidin-2-one	5930141	"NSC628009; CHEMBL1976684; NSC-628009; (3E)-3-[(5-methoxy-2-phenyl-phenyl)hydrazono]piperidin-2-one; 2,3-Piperidinedione 3-((4-methoxy[1,1'-biphenyl]-2-yl)hydrazone)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628009	.	.	.	.	309.4	C18H19N3O2	62.7	432	3.2	23	2	4	4	"InChI=1S/C18H19N3O2/c1-23-14-9-10-15(13-6-3-2-4-7-13)17(12-14)21-20-16-8-5-11-19-18(16)22/h2-4,6-7,9-10,12,21H,5,8,11H2,1H3,(H,19,22)/b20-16+"	COC1=CC(=C(C=C1)C2=CC=CC=C2)N/N=C/3\\CCCNC3=O	SCELXIZLFUUWNK-CAPFRKAQSA-N
DG63353	"2,4-Pyrimidinediamine, 6-((E)-2-(4-nitrophenyl)ethenyl)-5-(4-phenylbutyl)-"	5930201	"NSC212143; CHEMBL2005041; 17005-35-5; 2,4-Pyrimidinediamine, 6-((E)-2-(4-nitrophenyl)ethenyl)-5-(4-phenylbutyl)-; 2,4-Pyrimidinediamine, 6-[(E)-2-(4-nitrophenyl)ethenyl]-5-(4-phenylbutyl)-; NSC 212143; BDBM50562455; NSC-212143; 6-[(E)-2-(4-nitrophenyl)vinyl]-5-(4-phenylbutyl)pyrimidine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	212143	.	.	.	.	389.4	C22H23N5O2	124	524	4.9	29	2	6	7	"InChI=1S/C22H23N5O2/c23-21-19(9-5-4-8-16-6-2-1-3-7-16)20(25-22(24)26-21)15-12-17-10-13-18(14-11-17)27(28)29/h1-3,6-7,10-15H,4-5,8-9H2,(H4,23,24,25,26)/b15-12+"	C1=CC=C(C=C1)CCCCC2=C(N=C(N=C2N)N)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]	FHQIBAKBLAPNEL-NTCAYCPXSA-N
DG63354	"Cyclopentanone, 2-[(4-chlorophenyl)aminomethyl]-5-[(4-hydroxyphenyl)methylene]-"	5930524	"MLS002701693; NSC639541; SCHEMBL9300473; CHEMBL1977887; NSC-639541; Cyclopentanone, 2-[(4-chlorophenyl)aminomethyl]-5-[(4- hydroxyphenyl)methylene]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639541	.	.	.	.	327.8	C19H18ClNO2	49.3	435	4.4	23	2	3	4	"InChI=1S/C19H18ClNO2/c20-16-5-7-17(8-6-16)21-12-15-4-3-14(19(15)23)11-13-1-9-18(22)10-2-13/h1-2,5-11,15,21-22H,3-4,12H2/b14-11+"	C1C/C(=C\\C2=CC=C(C=C2)O)/C(=O)C1CNC3=CC=C(C=C3)Cl	KRNGWPMSMWJZKZ-SDNWHVSQSA-N
DG63355	4-(2-Pyridinyl)-N'-(1-(2-pyridinyl)butylidene)-1-piperazinecarbothiohydrazide	5930549	"NSC335794; 86919-64-4; 4-(2-Pyridinyl)-N'-(1-(2-pyridinyl)butylidene)-1-piperazinecarbothiohydrazide; NSC 335794; CHEMBL1991967; NSC-335794; 1-Piperazinecarbothioic acid, [1-(2-pyridinyl)butylidene]hydrazide; 1-Piperazinecarbothioic acid, 4-(2-pyridinyl)-, {[1-(2-pyridinyl)butylidene]hydrazide}; 4-(2-PYRIDINYL)-1-PIPERAZINECAROTHIOIC ACID, [1-(2-PYRIDINYL)BUTYLIDENE]HYDRAZIDE; 4-(2-pyridyl)-N-[(E)-1-(2-pyridyl)butylideneamino]piperazine-1-carbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	335794	.	.	.	.	368.5	C19H24N6S	88.7	475	3	26	1	5	5	"InChI=1S/C19H24N6S/c1-2-7-17(16-8-3-5-10-20-16)22-23-19(26)25-14-12-24(13-15-25)18-9-4-6-11-21-18/h3-6,8-11H,2,7,12-15H2,1H3,(H,23,26)/b22-17+"	CCC/C(=N\\NC(=S)N1CCN(CC1)C2=CC=CC=N2)/C3=CC=CC=N3	TYTDQQOGLGLLNX-OQKWZONESA-N
DG63356	Methyl 3-(4-chlorophenyl)-3-cyano-2-((2-hydroxybenzoyl)hydrazono)propanoate	5930707	NSC635415; CHEMBL1967233; NSC-635415; methyl (2Z)-3-(4-chlorophenyl)-3-cyano-2-[(2-hydroxybenzoyl)hydrazono]propanoate; Methyl 3-(4-chlorophenyl)-3-cyano-2-((2-hydroxybenzoyl)hydrazono)propanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635415	.	.	.	.	371.8	C18H14ClN3O4	112	593	4.4	26	2	6	6	"InChI=1S/C18H14ClN3O4/c1-26-18(25)16(14(10-20)11-6-8-12(19)9-7-11)21-22-17(24)13-4-2-3-5-15(13)23/h2-9,14,23H,1H3,(H,22,24)/b21-16-"	COC(=O)/C(=N\\NC(=O)C1=CC=CC=C1O)/C(C#N)C2=CC=C(C=C2)Cl	RUMLQRVPIXXRHO-PGMHBOJBSA-N
DG63357	2-{[alpha-(N-Morpholino)]-[2-((E)-3-phenyl-2-propenyloxy)benzyl]}benzotriazole	5931762	NSC671448; 2-{[.alpha.-(N-Morpholino)]-[2-((E)-3-phenyl-2-propenyloxy)benzyl]}benzotriazole; CHEMBL2006935; NSC-671448; 4-[benzotriazol-2-yl-[2-[(E)-cinnamyl]oxyphenyl]methyl]morpholine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671448	.	.	.	.	426.5	C26H26N4O2	52.4	576	5.2	32	0	5	7	"InChI=1S/C26H26N4O2/c1-2-9-21(10-3-1)11-8-18-32-25-15-7-4-12-22(25)26(29-16-19-31-20-17-29)30-27-23-13-5-6-14-24(23)28-30/h1-15,26H,16-20H2/b11-8+"	C1COCCN1C(C2=CC=CC=C2OC/C=C/C3=CC=CC=C3)N4N=C5C=CC=CC5=N4	PIMGGIQTFBWETK-DHZHZOJOSA-N
DG63358	"(E)-N-(oxiran-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-imine"	5932316	NSC620326; CHEMBL2004523; NSC-620326	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620326	.	.	.	.	217.26	C13H15NO2	34.1	277	2.3	16	0	3	3	"InChI=1S/C13H15NO2/c1-2-6-12-10(4-1)5-3-7-13(12)14-16-9-11-8-15-11/h1-2,4,6,11H,3,5,7-9H2/b14-13+"	C1CC2=CC=CC=C2/C(=N/OCC3CO3)/C1	UICICMUEDFNVNQ-BUHFOSPRSA-N
DG63359	"[(E)-[(E)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-enylidene]amino]thiourea"	5932655	"NSC642640; CHEMBL1976726; ZINC104292402; NSC-642640; [(E)-[(E)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-enylidene]amino]thiourea; 1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-(4-(hydroxy(oxido)amino)phenyl)-2-propen-1-one thiosemicarbazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642640	.	.	.	.	565.7	C29H23N7O2S2	187	924	6.7	40	2	7	7	"InChI=1S/C29H23N7O2S2/c1-19-27(24(32-33-28(30)39)17-14-20-12-15-23(16-13-20)36(37)38)40-29(31-19)35-26(22-10-6-3-7-11-22)18-25(34-35)21-8-4-2-5-9-21/h2-18H,1H3,(H3,30,33,39)/b17-14+,32-24+"	CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)/C(=N/NC(=S)N)/C=C/C5=CC=C(C=C5)[N+](=O)[O-]	XAZIYJYEOSJEBK-HEUWKEECSA-N
DG63360	6-Amino-1[(E)-4-butyramido-1-methyl-2-pyrroleacryloyl]-3-chloromethylindoline	5933245	"CHEMBL347260; SCHEMBL7465882; NSC691655; NSC-691655; 6-amino-1-[(E)-4-butyramido-1-methyl-2-pyrroleacryloyl]-3-(chloromethyl)indoline; 6-Amino-1[(E)-4-butyramido-1-methyl- 2-pyrroleacryloyl]-3-chloromethylindoline; Butanamide,3-dihydro-1H-indol-1-yl]-3-oxo-1-propenyl]-1H-pyrrol-3-yl]-, (E)-; N-[1-Methyl-5-[(E)-3-[[3-(chloromethyl)-6-amino-2,3-dihydro-1H-indole]-1-yl]-3-oxo-1-propenyl]-1H-pyrrole-3-yl]butyramide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691655	.	.	.	.	400.9	C21H25ClN4O2	80.4	599	1.9	28	2	3	6	"InChI=1S/C21H25ClN4O2/c1-3-4-20(27)24-16-10-17(25(2)13-16)6-8-21(28)26-12-14(11-22)18-7-5-15(23)9-19(18)26/h5-10,13-14H,3-4,11-12,23H2,1-2H3,(H,24,27)/b8-6+"	CCCC(=O)NC1=CN(C(=C1)/C=C/C(=O)N2CC(C3=C2C=C(C=C3)N)CCl)C	ZEHUETDVFMNOCM-SOFGYWHQSA-N
DG63361	"phenethyl (E)-3-(2,4,5-trihydroxyphenyl)prop-2-enoate"	5933247	"NSC666592; CHEMBL131749; SCHEMBL7572856; phenethyl (E)-3-(2,4,5-trihydroxyphenyl)prop-2-enoate; ZINC1642254; BDBM50029212; NSC-666592; .beta.-Phenylethyl 2,4,5-trihydroxycinnamate; 3-(2,4,5-Trihydroxy-phenyl)-acrylic acid phenethyl ester; (E)-3-(2,4,5-Trihydroxy-phenyl)-acrylic acid phenethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666592	.	.	.	.	300.3	C17H16O5	87	375	3.1	22	3	5	6	"InChI=1S/C17H16O5/c18-14-11-16(20)15(19)10-13(14)6-7-17(21)22-9-8-12-4-2-1-3-5-12/h1-7,10-11,18-20H,8-9H2/b7-6+"	C1=CC=C(C=C1)CCOC(=O)/C=C/C2=CC(=C(C=C2O)O)O	QJEKLVWUQDJCQE-VOTSOKGWSA-N
DG63362	4-Fluoro-N-(3-((4-fluorophenyl)imino)-1-propenyl)aniline	5933697	"NSC676469; CHEMBL2003789; NSC-676469; 4-Fluoro-N-(3-((4-fluorophenyl)imino)-1-propenyl)aniline; 4-fluoro-N-[(E,3E)-3-(4-fluorophenyl)iminoprop-1-enyl]aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676469	.	.	.	.	258.269	C15H12F2N2	24.4	301	3.5	19	1	4	4	"InChI=1S/C15H12F2N2/c16-12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(17)5-9-15/h1-11,18H/b10-1+,19-11 "	C1=CC(=CC=C1N/C=C/C=NC2=CC=C(C=C2)F)F	NAJOFPCAYQWTPJ-VDRJLMEUSA-N
DG63363	[4-[(E)-3-phenylprop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate	5934069	NSC689963; CHEMBL8067; [4-[(E)-3-phenylprop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate; ZINC16958951; AKOS002719581; NSC-689963; 1-(4-cinnamoyloxyphenyl)-3'-phenyl-2-propen-1-one; 3-Phenylacrylic acid 4-(1-oxo-3-phenyl-2-propenyl)phenyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689963	.	.	.	.	354.4	C24H18O3	43.4	528	5.5	27	0	3	7	"InChI=1S/C24H18O3/c25-23(17-11-19-7-3-1-4-8-19)21-13-15-22(16-14-21)27-24(26)18-12-20-9-5-2-6-10-20/h1-18H/b17-11+,18-12+"	C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3	XQZXRYFHQGNJJS-JYFOCSDGSA-N
DG63364	"6-((E)-Styryl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	5934142	"CHEMBL14463; NSC657276; BDBM50041137; NSC-657276; 6-((E)-Styryl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one; 6-(trans-Styryl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657276	.	.	.	.	291.3	C18H13NO3	47.6	493	3.6	22	1	4	2	"InChI=1S/C18H13NO3/c20-16-8-13(7-6-12-4-2-1-3-5-12)19-15-10-18-17(9-14(15)16)21-11-22-18/h1-10H,11H2,(H,19,20)/b7-6+"	C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)/C=C/C4=CC=CC=C4	LHJNKMCREMQIKG-VOTSOKGWSA-N
DG63365	"1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-(4-(hydroxy(oxido)amino)phenyl)-2-propen-1-one"	5934332	"NSC640556; NSC-640556; CHEMBL1983317; 1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-(4-(hydroxy(oxido)amino)phenyl)-2-propen-1-one; CHEMBL1288280; BDBM50332208; ZINC16957594; (E)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640556	.	.	.	.	492.5	C28H20N4O3S	122	784	6.9	36	0	6	6	"InChI=1S/C28H20N4O3S/c1-19-27(26(33)17-14-20-12-15-23(16-13-20)32(34)35)36-28(29-19)31-25(22-10-6-3-7-11-22)18-24(30-31)21-8-4-2-5-9-21/h2-18H,1H3/b17-14+"	CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)/C=C/C5=CC=C(C=C5)[N+](=O)[O-]	IPRWXFAJXPKDLK-SAPNQHFASA-N
DG63366	"2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]phenoxy]acetic acid"	5934333	"NSC643813; ZINC1628982; 2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]phenoxy]acetic acid; Acetic acid, [2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643813	.	.	.	.	374.4	C20H22O7	83.4	467	3.6	27	1	7	9	"InChI=1S/C20H22O7/c1-23-15-8-7-13(9-16(15)27-12-19(21)22)5-6-14-10-17(24-2)20(26-4)18(11-14)25-3/h5-11H,12H2,1-4H3,(H,21,22)/b6-5+"	COC1=C(C=C(C=C1)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)O	RCPRCGQIDXYANB-AATRIKPKSA-N
DG63367	"1,2-Diphenyl-3-(2-thienyl)-2-propen-1-one"	5934664	"NSC700244; CHEMBL2006526; NSC-700244; J3.529.118K; 1,2-Diphenyl-3-(2-thienyl)-2-propen-1-one; 1,2-Diphenyl-3-(2-thienyl)-2-propene-1-one; (E)-1,2-diphenyl-3-(2-thienyl)prop-2-en-1-one; (E)-3-(2-Thienyl)-1,2-diphenyl-2-propene-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700244	.	.	.	.	290.4	C19H14OS	45.3	375	5	21	0	2	4	InChI=1S/C19H14OS/c20-19(16-10-5-2-6-11-16)18(14-17-12-7-13-21-17)15-8-3-1-4-9-15/h1-14H/b18-14+	C1=CC=C(C=C1)/C(=C\\C2=CC=CS2)/C(=O)C3=CC=CC=C3	LVXTZNNEHGXBMH-NBVRZTHBSA-N
DG63368	"(3Z)-3-[(5Z)-4-butyl-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethyl-thiourea"	5934800	"NSC622674; CHEMBL2005383; NSC-622674; Thiourea, N',N'''-(4-butyl-1,2,4-dithiazolidine-3,5-diylidene)bis[N,N-dimethyl-; (3Z)-3-[(5Z)-4-butyl-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethyl-thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622674	.	.	.	.	363.6	C12H21N5S4	149	421	3.1	21	0	4	3	"InChI=1S/C12H21N5S4/c1-6-7-8-17-11(13-9(18)15(2)3)20-21-12(17)14-10(19)16(4)5/h6-8H2,1-5H3/b13-11-,14-12-"	CCCCN\\1/C(=N/C(=S)N(C)C)/SS/C1=N\\C(=S)N(C)C	VCNTXUVTNPELIL-XSYHWHKQSA-N
DG63369	"1-methyl-2,4-bis[(E)-2-(2,4,6-trimethoxyphenyl)vinyl]quinolin-1-ium"	5934891	"NSC231984; CHEMBL1869623; ZINC17045969; NCGC00186213-01; NCGC00186213-02; NCGC00186213-03; NCGC00186213-04; NCGC00186213-05; NCGC00186213-06; 1-methyl-2,4-bis[(E)-2-(2,4,6-trimethoxyphenyl)vinyl]quinolin-1-ium; 1-Methyl-2,4-bis(2-(2,4,6-trimethoxyphenyl)vinyl)-1.lambda.~5~-quinoline; Quinolinium, {1-methyl-2,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-,} iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	231984	.	.	.	.	528.6	C32H34NO6+	59.3	763	6.7	39	0	6	10	"InChI=1S/C32H34NO6/c1-33-22(13-15-27-31(38-6)19-24(35-3)20-32(27)39-7)16-21(25-10-8-9-11-28(25)33)12-14-26-29(36-4)17-23(34-2)18-30(26)37-5/h8-20H,1-7H3/q+1/b14-12+,15-13+"	C[N+]1=C(C=C(C2=CC=CC=C21)/C=C/C3=C(C=C(C=C3OC)OC)OC)/C=C/C4=C(C=C(C=C4OC)OC)OC	VTFLLPQVYRMIBD-QUMQEAAQSA-N
DG63370	"(8E)-2-amino-4-(3,4-dimethoxyphenyl)-8-[(3,4-dimethoxyphenyl)methylene]-5-methyl-6,7-dihydro-5H-quinoline-3-carbonitrile"	5934964	"NSC690754; CHEMBL1975509; NSC-690754; (8E)-2-amino-4-(3,4-dimethoxyphenyl)-8-[(3,4-dimethoxyphenyl)methylene]-5-methyl-6,7-dihydro-5H-quinoline-3-carbonitrile; 3-Quinolinecarbonitrile, 2-amino-4-(3,4-dimethoxyphenyl)-8-[(3,4-dimethoxyphenyl)methylene]-5,6,7,8-tetrahydro-5-methyl-, (8E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690754	.	.	.	.	471.5	C28H29N3O4	99.6	781	5.4	35	1	7	6	"InChI=1S/C28H29N3O4/c1-16-6-8-19(12-17-7-10-21(32-2)23(13-17)34-4)27-25(16)26(20(15-29)28(30)31-27)18-9-11-22(33-3)24(14-18)35-5/h7,9-14,16H,6,8H2,1-5H3,(H2,30,31)/b19-12+"	CC1CC/C(=C\\C2=CC(=C(C=C2)OC)OC)/C3=C1C(=C(C(=N3)N)C#N)C4=CC(=C(C=C4)OC)OC	IDUMFZXQINSGQR-XDHOZWIPSA-N
DG63371	N'-(1-(6-Methyl-2-pyridinyl)ethylidene)-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide	5935047	"NSC335789; ZINC17128176; N'-(1-(6-Methyl-2-pyridinyl)ethylidene)-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide; N-[(Z)-1-(6-methyl-2-pyridyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide; {3-Azabicyclo[3.2.1]nonane-3-carbothioic} acid, {[1-(6-methyl-2-pyridinyl)ethylidene]hydrazide}; {3-Azabicyclo[3.2.2]nonane-3-carbothioic} acid, {[1-(6-methyl-2-pyridinyl)ethylidene]hydrazide}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	335789	.	.	.	.	316.5	C17H24N4S	72.6	414	3.2	22	1	3	2	"InChI=1S/C17H24N4S/c1-12-4-3-5-16(18-12)13(2)19-20-17(22)21-10-14-6-7-15(11-21)9-8-14/h3-5,14-15H,6-11H2,1-2H3,(H,20,22)/b19-13-"	CC1=NC(=CC=C1)/C(=N\\NC(=S)N2CC3CCC(C2)CC3)/C	VJEYGFIUNKNUPI-UYRXBGFRSA-N
DG63372	"3-(3-(Benzyloxy)-4-methoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-propen-1-one"	5935211	"NSC628297; 3-(3-(Benzyloxy)-4-methoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-propen-1-one; 3-[3-(benzyloxy)-4-methoxyphenyl]-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-propen-1-one; CHEMBL2004837; ZINC4671117; NSC-628297; AQ-358/41842922; (E)-3-(3-benzyloxy-4-methoxy-phenyl)-1-(2-hydroxy-4,6-dimethoxy-phenyl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628297	.	.	.	.	420.5	C25H24O6	74.2	572	5.3	31	1	6	9	"InChI=1S/C25H24O6/c1-28-19-14-21(27)25(24(15-19)30-3)20(26)11-9-17-10-12-22(29-2)23(13-17)31-16-18-7-5-4-6-8-18/h4-15,27H,16H2,1-3H3/b11-9+"	COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O)OCC3=CC=CC=C3	NXHJAZOWUGWKMU-PKNBQFBNSA-N
DG63373	Ethyl 3-[4-(5-nitro-2-furylacryloyl)aminophenyl]propionate	5935594	NSC667262; MLS002702181; CHEMBL1709679; ZINC1642489; NSC-667262; SMR001565744; Ethyl 3-[4-(5-nitro-2-furylacryloyl)aminophenyl]propionate; Ethyl {3-[4-(5-nitro-2-furylacryloyl)aminophenyl]propionate}; ethyl 3-[4-[[(E)-3-(5-nitro-2-furyl)prop-2-enoyl]amino]phenyl]propanoate; Ethyl 3-(4-((3-(5-(hydroxy(oxido)amino)-2-furyl)acryloyl)amino)phenyl)propanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667262	.	.	.	.	358.3	C18H18N2O6	114	522	3.2	26	1	6	8	"InChI=1S/C18H18N2O6/c1-2-25-18(22)12-5-13-3-6-14(7-4-13)19-16(21)10-8-15-9-11-17(26-15)20(23)24/h3-4,6-11H,2,5,12H2,1H3,(H,19,21)/b10-8+"	CCOC(=O)CCC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]	XKPGTXPAAQXOAG-CSKARUKUSA-N
DG63374	NSC646812	5935649	2-((Aminocarbonyl)hydrazono)-3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2-(hydroxy(oxido)amino)-4-(trifluoromethyl)phenyl)propanamide; NSC646812; CHEMBL1983458; ZINC104295061; NSC-646812; (2Z)-3-(6-benzoyl-3-hydroxy-quinoxalin-2-yl)-2-(carbamoylhydrazono)-N-[2-nitro-4-(trifluoromethyl)phenyl]propanamide; 2-((Aminocarbonyl)hydrazono)-3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2-(hydroxy(oxido)amino)-4-(trifluoromethyl)phenyl)propanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646812	.	.	.	.	581.5	C26H18F3N7O6	201	1150	4	42	4	11	7	"InChI=1S/C26H18F3N7O6/c27-26(28,29)15-7-9-17(21(11-15)36(41)42)32-24(39)20(34-35-25(30)40)12-19-23(38)33-18-10-14(6-8-16(18)31-19)22(37)13-4-2-1-3-5-13/h1-11H,12H2,(H,32,39)(H,33,38)(H3,30,35,40)/b34-20-"	C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=O)N3)C/C(=N/NC(=O)N)/C(=O)NC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]	ODQSSSYQAXSLIF-GXBUFBABSA-N
DG63375	NSC640675	5935964	"3-[4-[(Z)-[2-(2-chloro-5-nitro-phenyl)-1-(4-ethoxyphenyl)-5-oxo-imidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile; NSC640675; CHEMBL1972079; NSC-640675; 3-[4-[(Z)-[2-(2-chloro-5-nitro-phenyl)-1-(4-ethoxyphenyl)-5-oxo-imidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile; Propanenitrile, 3,3'-[[4-[(Z)-[2-(2-chloro-5-nitrophenyl)-1-(4-ethoxyphenyl)-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene]methyl]phenyl]imino]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640675	.	.	.	.	569	C30H25ClN6O4	139	1070	5	41	0	8	10	"InChI=1S/C30H25ClN6O4/c1-2-41-25-12-9-23(10-13-25)36-29(26-20-24(37(39)40)11-14-27(26)31)34-28(30(36)38)19-21-5-7-22(8-6-21)35(17-3-15-32)18-4-16-33/h5-14,19-20H,2-4,17-18H2,1H3/b28-19-"	CCOC1=CC=C(C=C1)N2C(=N/C(=C\\C3=CC=C(C=C3)N(CCC#N)CCC#N)/C2=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl	KVJMMJMONKEMGQ-USHMODERSA-N
DG63376	4-[(E)-2-quinolin-6-ylethenyl]aniline	5936795	"4-[(E)-2-quinolin-6-ylethenyl]aniline; 54-82-0; NSC79139; MLS000736861; 4-(2-(Quinolin-6-yl)vinyl)aniline; 4-[2-(Quinolin-6-yl)ethenyl]aniline; SMR000528354; Quinoline, 6-(4-aminostyryl); CHEMBL1875040; HMS2884P19; NSC-79139; ZINC13152293; 4-[2-(6-quinolinyl)vinyl]phenylamine; 4-[(E)-2-(6-quinolyl)vinyl]aniline; NCGC00184065-01; NCGC00184065-02; NCGC00184065-03; NCGC00184065-04; NCGC00184065-05; NCGC00184065-06; NCGC00184065-07; AT-051/43421285"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79139	.	.	.	.	246.31	C17H14N2	38.9	304	3.8	19	1	2	2	"InChI=1S/C17H14N2/c18-16-8-5-13(6-9-16)3-4-14-7-10-17-15(12-14)2-1-11-19-17/h1-12H,18H2/b4-3+"	C1=CC2=C(C=CC(=C2)/C=C/C3=CC=C(C=C3)N)N=C1	RQJHZUPUOIVGNP-ONEGZZNKSA-N
DG63377	4-[(E)-2-quinolin-7-ylethenyl]aniline	5937681	"4-[(E)-2-quinolin-7-ylethenyl]aniline; 54-83-1; NSC79140; 4-(2-(Quinolin-7-yl)vinyl)aniline; 4-[2-(quinolin-7-yl)ethenyl]aniline; Quinoline, 7-(4-aminostyryl); CHEMBL1980973; NSC-79140; ZINC17004585; 4-[(E)-2-(7-quinolyl)vinyl]aniline; NCGC00184066-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79140	.	.	.	.	246.31	C17H14N2	38.9	304	3.7	19	1	2	2	"InChI=1S/C17H14N2/c18-16-9-6-13(7-10-16)3-4-14-5-8-15-2-1-11-19-17(15)12-14/h1-12H,18H2/b4-3+"	C1=CC2=C(C=C(C=C2)/C=C/C3=CC=C(C=C3)N)N=C1	QAQIFRYHRUVXEJ-ONEGZZNKSA-N
DG63378	"5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione"	5938458	NSC684565; CHEMBL1998364; ZINC6512014; NSC-684565	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684565	.	.	.	.	303.3	C13H9N3O4S	136	520	2	21	2	5	2	"InChI=1S/C13H9N3O4S/c17-11-10(12(18)15-13(21)14-11)3-1-2-8-4-6-9(7-5-8)16(19)20/h1-7H,(H2,14,15,17,18,21)/b2-1+"	C1=CC(=CC=C1/C=C/C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-]	ASHTWBZQBQOVFH-OWOJBTEDSA-N
DG63379	"5-(4-(Dimethylamino)phenyl)-2-phenyl-2,4-pentadienenitrile"	5938870	"NSC667252; CHEMBL2030520; SCHEMBL14964957; SCHEMBL14964958; ZINC1642481; 5-(4-(Dimethylamino)phenyl)-2-phenyl-2,4-pentadienenitrile; (2Z,4E)-5-(4-dimethylaminophenyl)-2-phenyl-penta-2,4-dienenitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667252	.	.	.	.	274.4	C19H18N2	27	410	4.5	21	0	2	4	"InChI=1S/C19H18N2/c1-21(2)19-13-11-16(12-14-19)7-6-10-18(15-20)17-8-4-3-5-9-17/h3-14H,1-2H3/b7-6+,18-10+"	CN(C)C1=CC=C(C=C1)/C=C/C=C(\\C#N)/C2=CC=CC=C2	PZOBYPZHMFNXCV-ZOQHSEBNSA-N
DG63380	(E)-4-bromo-4-methyl-1-phenylpent-1-en-3-one	5944568	NSC382767; CHEMBL1997616; ZINC1592433; NSC-382767	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382767	.	.	.	.	253.13	C12H13BrO	17.1	225	3.5	14	0	1	3	"InChI=1S/C12H13BrO/c1-12(2,13)11(14)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+"	CC(C)(C(=O)/C=C/C1=CC=CC=C1)Br	LYDXYGFVXNGODU-CMDGGOBGSA-N
DG63381	"[1-(2-Pyridinyl)ethylidene]hydrazinecarbodithioic acid, methyl ester"	5947235	"CHEMBL73007; 26151-76-8; NSC251190; DTXSID00421433; ZINC5503076; BDBM50148051; AKOS024368644; NSC-251190; methyl (2E)-2-(1-pyridin-2-ylethylidene)hydrazinecarbodithioate; [1-(2-PYRIDINYL)ETHYLIDENE]HYDRAZINECARBODITHIOIC ACID, METHYL ESTER; N''-[1-Pyridin-2-yl-eth-(E)-ylidene]-hydrazinecarbodithioic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	251190	.	.	.	.	225.3	C9H11N3S2	94.7	228	2.2	14	1	4	3	"InChI=1S/C9H11N3S2/c1-7(11-12-9(13)14-2)8-5-3-4-6-10-8/h3-6H,1-2H3,(H,12,13)/b11-7+"	C/C(=N\\NC(=S)SC)/C1=CC=CC=N1	IFRMECQLFGLWCS-YRNVUSSQSA-N
DG63382	"2-Butenamide,6-dichlorophenyl)-4-oxo-"	5951628	"NSC306203; ZINC1568198; NSC-306203; 2-Butenamide,6-dichlorophenyl)-4-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	306203	.	.	.	.	244.07	C10H7Cl2NO2	60.2	281	2	15	1	2	3	"InChI=1S/C10H7Cl2NO2/c11-6-2-1-3-7(12)10(6)8(14)4-5-9(13)15/h1-5H,(H2,13,15)/b5-4+"	C1=CC(=C(C(=C1)Cl)C(=O)/C=C/C(=O)N)Cl	ZYIKIIOWBLFSTC-SNAWJCMRSA-N
DG63383	"4-[(E)-2-(7,8-dimethylquinolin-4-yl)ethenyl]-N,N-dimethylaniline"	5952858	NSC268617; CHEMBL1879679; ZINC13221216; NSC-268617; NCGC00184020-01; NCGC00184020-02; NCGC00184020-03; NCGC00184020-04; NCGC00184020-05	.	.	Investigative Drug(s)	Investigative	Small molecular drug	268617	.	.	.	.	302.4	C21H22N2	16.1	395	5.3	23	0	2	3	"InChI=1S/C21H22N2/c1-15-5-12-20-18(13-14-22-21(20)16(15)2)9-6-17-7-10-19(11-8-17)23(3)4/h5-14H,1-4H3/b9-6+"	CC1=C(C2=NC=CC(=C2C=C1)/C=C/C3=CC=C(C=C3)N(C)C)C	MTVYPMDBRRFFBP-RMKNXTFCSA-N
DG63384	Benzyl 2-[1-(2-pyridinyl)ethylidene]hydrazinecarbodithioate	5955229	MLS002701795; 26158-47-4; Benzyl 2-[1-(2-pyridinyl)ethylidene]hydrazinecarbodithioate; SMR001565389; NSC295641; CHEMBL72739; SCHEMBL8738870; BDBM80812; cid_3004127; ZINC5503081; NSC-295641; benzyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate; (phenylmethyl) N-(1-pyridin-2-ylethylideneamino)carbamodithioate; N-[1-(2-pyridyl)ethylideneamino]carbamodithioic acid benzyl ester; N-[1-(2-pyridinyl)ethylideneamino]carbamodithioic acid (phenylmethyl) ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295641	.	.	.	.	301.4	C15H15N3S2	94.7	338	3.7	20	1	4	5	"InChI=1S/C15H15N3S2/c1-12(14-9-5-6-10-16-14)17-18-15(19)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,18,19)/b17-12+"	C/C(=N\\NC(=S)SCC1=CC=CC=C1)/C2=CC=CC=N2	GAPPGYVPJUGIHP-SFQUDFHCSA-N
DG63385	3-chloro-N-[(E)-(1-oxoaceanthrylen-2-ylidene)amino]benzamide	5955340	NSC701028; CHEMBL1964305; NSC-701028	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701028	.	.	.	.	384.8	C23H13ClN2O2	58.5	678	6.1	28	1	3	2	"InChI=1S/C23H13ClN2O2/c24-16-8-3-7-15(12-16)23(28)26-25-21-18-10-4-6-14-11-13-5-1-2-9-17(13)20(19(14)18)22(21)27/h1-12H,(H,26,28)/b25-21+"	C1=CC=C2C(=C1)C=C3C=CC=C\\4C3=C2C(=O)/C4=N/NC(=O)C5=CC(=CC=C5)Cl	NEVGITATZIDBSE-NJNXFGOHSA-N
DG63386	3-[(E)-2-phenylethenyl]benzoic acid	5964452	NSC337827; 60901-22-6; SCHEMBL1927537; CHEMBL2007524; DTXSID70421521; ZINC1577774; AKOS005158052; NSC-337827	.	.	Investigative Drug(s)	Investigative	Small molecular drug	337827	.	.	.	.	224.25	C15H12O2	37.3	277	4.3	17	1	2	3	"InChI=1S/C15H12O2/c16-15(17)14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11H,(H,16,17)/b10-9+"	C1=CC=C(C=C1)/C=C/C2=CC(=CC=C2)C(=O)O	RHKYEHRKNBWIDK-MDZDMXLPSA-N
DG63387	"1,3-Butadiene-1,1-diamine, 4-chloro-N1,N1-bis(2,4-dimethylphenyl)-2,4-dinitro-, (3Z)-"	5971834	"NSC673141; CHEMBL1987183; NSC-673141; (3Z)-4-chloro-N1,N1'-bis(2,4-dimethylphenyl)-2,4-dinitro-buta-1,3-diene-1,1-diamine; 1,3-Butadiene-1,1-diamine, 4-chloro-N1,N1-bis(2,4-dimethylphenyl)-2,4-dinitro-, (3Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673141	.	.	.	.	416.9	C20H21ClN4O4	116	640	7.3	29	2	6	5	"InChI=1S/C20H21ClN4O4/c1-12-5-7-16(14(3)9-12)22-20(18(24(26)27)11-19(21)25(28)29)23-17-8-6-13(2)10-15(17)4/h5-11,22-23H,1-4H3/b19-11+"	CC1=CC(=C(C=C1)NC(=C(/C=C(/[N+](=O)[O-])\\Cl)[N+](=O)[O-])NC2=C(C=C(C=C2)C)C)C	HONRPGCBNDNNAV-YBFXNURJSA-N
DG63388	NSC766694	5975764	"ethyl (2Z)-2-(2-hydroxybenzylidene)-5-(4-methoxy-1-naphthyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate; NSC766694; NSC-766694; SR-01000440671; SR-01000440671-1; ethyl (2Z)-2-(2-hydroxybenzylidene)-5-(4-methoxy-1-naphthyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766694	.	.	.	.	500.6	C28H24N2O5S	114	975	5.3	36	1	7	6	"InChI=1S/C28H24N2O5S/c1-4-35-27(33)24-16(2)29-28-30(26(32)23(36-28)15-17-9-5-8-12-21(17)31)25(24)20-13-14-22(34-3)19-11-7-6-10-18(19)20/h5-15,25,31H,4H2,1-3H3/b23-15-"	CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C4=CC=CC=C34)OC)C(=O)/C(=C/C5=CC=CC=C5O)/S2)C	HURFFFRCSHQNDT-HAHDFKILSA-N
DG63389	2-fluoro-N-hydroxy-N-(4-styrylphenyl)acetamide	5976008	MLS002706487; SMR001573892; NSC112965; cid_270510; CHEMBL4296860; BDBM94559; ZINC1703981; NSC-112965; 2-fluoro-N-hydroxy-N-(4-styrylphenyl)acetamide; BRD-K68192143-001-01-5; 2-fluoro-N-hydroxy-N-[4-(2-phenylethenyl)phenyl]acetamide; 2-fluoranyl-N-oxidanyl-N-[4-(2-phenylethenyl)phenyl]ethanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112965	.	.	.	.	271.29	C16H14FNO2	40.5	331	3.4	20	1	3	4	"InChI=1S/C16H14FNO2/c17-12-16(19)18(20)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11,20H,12H2/b7-6+"	C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N(C(=O)CF)O	YMRIBQFQMYWELA-VOTSOKGWSA-N
DG63390	"Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzylidene]hydrazide"	5977454	"ZINC1667951; NSC101489; NSC-101489; Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzylidene]hydrazide; 16230-81-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	101489	.	.	.	.	395.3	C18H20Cl2N4O2	66.8	447	3	26	1	5	9	"InChI=1S/C18H20Cl2N4O2/c1-26-17-11-16(24(9-6-19)10-7-20)5-4-14(17)13-22-23-18(25)15-3-2-8-21-12-15/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,23,25)/b22-13-"	COC1=C(C=CC(=C1)N(CCCl)CCCl)/C=N\\NC(=O)C2=CN=CC=C2	BCDGHWXBKFEHFN-XKZIYDEJSA-N
DG63391	N-[(Z)-(3-ethoxycyclohex-2-en-1-ylidene)amino]-4-nitroaniline	5978780	NSC400655; 7467-17-6; CHEMBL1965061; DTXSID60421611; ZINC17156039; NSC-400655	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400655	.	.	.	.	275.3	C14H17N3O3	79.4	393	2.9	20	1	5	4	"InChI=1S/C14H17N3O3/c1-2-20-14-5-3-4-12(10-14)16-15-11-6-8-13(9-7-11)17(18)19/h6-10,15H,2-5H2,1H3/b16-12-"	CCOC1=C/C(=N\\NC2=CC=C(C=C2)[N+](=O)[O-])/CCC1	OWHSVAANAHWCAK-VBKFSLOCSA-N
DG63392	3-((Aminocarbothioyl)hydrazono)-N-(4-chlorophenyl)butanamide	5981635	NSC641845; CHEMBL1989092; STK044062; ZINC17211484; AKOS003236435; NSC-641845; (3E)-3-(carbamothioylhydrazono)-N-(4-chlorophenyl)butanamide; 3-((Aminocarbothioyl)hydrazono)-N-(4-chlorophenyl)butanamide; (3E)-3-(2-carbamothioylhydrazinylidene)-N-(4-chlorophenyl)butanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641845	.	.	.	.	284.77	C11H13ClN4OS	112	340	1.4	18	3	3	4	"InChI=1S/C11H13ClN4OS/c1-7(15-16-11(13)18)6-10(17)14-9-4-2-8(12)3-5-9/h2-5H,6H2,1H3,(H,14,17)(H3,13,16,18)/b15-7+"	C/C(=N\\NC(=S)N)/CC(=O)NC1=CC=C(C=C1)Cl	TZGCKCLIFHSVBW-VIZOYTHASA-N
DG63393	N-[(Z)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide	5984534	MLS002695041; NSC90903; NSC-90903; ZINC72104775; 16183-71-4	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90903	.	.	.	.	379.3	C18H20Cl2N4O	57.6	429	3.4	25	1	4	8	"InChI=1S/C18H20Cl2N4O/c1-14-11-17(24(9-6-19)10-7-20)5-4-15(14)13-22-23-18(25)16-3-2-8-21-12-16/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,23,25)/b22-13-"	CC1=C(C=CC(=C1)N(CCCl)CCCl)/C=N\\NC(=O)C2=CN=CC=C2	DASAJPZSXSWVBU-XKZIYDEJSA-N
DG63394	(2E)-2-Benzoyl-3-(2-phenyl-1H-indol-3-yl)acrylonitrile	5986877	CHEMBL3617144; NSC746691; AKOS003952467; NSC-746691; J3.519.592K; 2-Benzoyl-3-(2-phenyl-1H-indole-3-yl)acrylonitrile; (2E)-2-Benzoyl-3-(2-phenyl-1H-indol-3-yl)acrylonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746691	.	.	.	.	348.4	C24H16N2O	56.6	603	5.4	27	1	2	4	"InChI=1S/C24H16N2O/c25-16-19(24(27)18-11-5-2-6-12-18)15-21-20-13-7-8-14-22(20)26-23(21)17-9-3-1-4-10-17/h1-15,26H/b19-15+"	C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)/C=C(\\C#N)/C(=O)C4=CC=CC=C4	PVXNBHAMIDEJIT-XDJHFCHBSA-N
DG63395	"(E)-3-(2,3-dichlorophenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one"	5992706	NSC729529; NSC-729529	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729529	.	.	.	.	357.2	C20H14Cl2O2	26.3	465	6.2	24	0	2	4	"InChI=1S/C20H14Cl2O2/c1-24-17-9-7-14-11-16(6-5-15(14)12-17)19(23)10-8-13-3-2-4-18(21)20(13)22/h2-12H,1H3/b10-8+"	COC1=CC2=C(C=C1)C=C(C=C2)C(=O)/C=C/C3=C(C(=CC=C3)Cl)Cl	IVWMFMSQOZFDKJ-CSKARUKUSA-N
DG63396	"[(Z)-[5-(1,1,2,2,3,3,3-heptafluoropropyl)isoquinolin-1-yl]methylideneamino]thiourea"	5995822	"MLS003106944; 31181-05-2; DTXSID20421713; Hydrazinecarbothioamide, 2-[[5-(heptafluoropropyl)-1-isoquinolinyl]methylene]-; ZINC6513541; NSC185042; NSC-185042"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	185042	.	.	.	.	398.3	C14H9F7N4S	95.4	552	3.9	26	2	10	4	"InChI=1S/C14H9F7N4S/c15-12(16,13(17,18)14(19,20)21)9-3-1-2-8-7(9)4-5-23-10(8)6-24-25-11(22)26/h1-6H,(H3,22,25,26)/b24-6-"	C1=CC2=C(C=CN=C2/C=N\\NC(=S)N)C(=C1)C(C(C(F)(F)F)(F)F)(F)F	IYJACKLHQZCAOV-UMDHDWCXSA-N
DG63397	Piriqualone	6015423	Piriqualone; 1897-89-8; MLS000737182; NSC96996; NSC-96996; CHEMBL51620; HMS2884B11; ZINC4217322; NCGC00246906-01; SMR000528452; 2-PICOLINYLIDENEMETHYL-3-ORTHO-TOLYL-4(3H)-QUINAZOLINONE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	96996	.	.	.	.	339.4	C22H17N3O	45.6	570	3.6	26	0	3	3	"InChI=1S/C22H17N3O/c1-16-8-2-5-12-20(16)25-21(14-13-17-9-6-7-15-23-17)24-19-11-4-3-10-18(19)22(25)26/h2-15H,1H3/b14-13+"	CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC=CC=N4	MYGZNGAHFWOCLI-BUHFOSPRSA-N
DG63398	2-[(4E)-4-(4-ethoxyphenyl)sulfonylimino-1-oxonaphthalen-2-yl]sulfanylacetic acid	6022733	NSC743411; NSC-743411	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743411	.	.	.	.	431.5	C20H17NO6S2	144	790	3.5	29	1	8	7	"InChI=1S/C20H17NO6S2/c1-2-27-13-7-9-14(10-8-13)29(25,26)21-17-11-18(28-12-19(22)23)20(24)16-6-4-3-5-15(16)17/h3-11H,2,12H2,1H3,(H,22,23)/b21-17+"	CCOC1=CC=C(C=C1)S(=O)(=O)/N=C/2\\C=C(C(=O)C3=CC=CC=C32)SCC(=O)O	MCEZDZGCNWEVPO-HEHNFIMWSA-N
DG63399	"1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-(3-(hydroxy(oxido)amino)phenyl)-2-propen-1-one"	6035704	"NSC-640559; NSC640559; CHEMBL1287866; 1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-(3-(hydroxy(oxido)amino)phenyl)-2-propen-1-one; BDBM50332210; ZINC16957598; (E)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-(3-nitrophenyl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640559	.	.	.	.	492.5	C28H20N4O3S	122	792	6.9	36	0	6	6	"InChI=1S/C28H20N4O3S/c1-19-27(26(33)16-15-20-9-8-14-23(17-20)32(34)35)36-28(29-19)31-25(22-12-6-3-7-13-22)18-24(30-31)21-10-4-2-5-11-21/h2-18H,1H3/b16-15+"	CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)/C=C/C5=CC(=CC=C5)[N+](=O)[O-]	CJUKTJXWIFOPJJ-FOCLMDBBSA-N
DG63400	NSC652052	6036038	"(2Z)-5-amino-8-(1H-benzimidazol-2-yl)-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylene]-3-oxo-7H-thiazolo[3,2-a]pyridine-6-carbonitrile; NSC652052; CHEMBL2002173; NSC-652052; (2Z)-5-amino-8-(1H-benzimidazol-2-yl)-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylene]-3-oxo-7H-thiazolo[3,2-a]pyridine-6-carbonitrile; 5-Amino-8-(1H-benzimidazol-2-yl)-2-(4-chlorobenzylidene)-7-(4-chlorophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652052	.	.	.	.	542.4	C28H17Cl2N5OS	124	1080	6.2	37	2	5	3	"InChI=1S/C28H17Cl2N5OS/c29-17-9-5-15(6-10-17)13-22-27(36)35-25(32)19(14-31)23(16-7-11-18(30)12-8-16)24(28(35)37-22)26-33-20-3-1-2-4-21(20)34-26/h1-13,23H,32H2,(H,33,34)/b22-13-"	C1=CC=C2C(=C1)NC(=N2)C3=C4N(C(=C(C3C5=CC=C(C=C5)Cl)C#N)N)C(=O)/C(=C/C6=CC=C(C=C6)Cl)/S4	SGSUYLGXULISEK-XKZIYDEJSA-N
DG63401	"(6Z)-3-(3-nitrophenyl)-6-[(3,4,5-trimethoxyphenyl)methylene]thiazolo[2,3-b]thiazol-4-ium-5-one"	6036039	"NSC658290; CHEMBL2008699; ZINC1636452; (6Z)-3-(3-nitrophenyl)-6-[(3,4,5-trimethoxyphenyl)methylene]thiazolo[2,3-b]thiazol-4-ium-5-one; 5-(3-(Hydroxy(oxido)amino)phenyl)-2-(3,4,5-trimethoxybenzylidene)-4lambda~5~-[1,3]thiazolo[2,3-b][1,3]thiazol-3(2H)-one hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658290	.	.	.	.	457.5	C21H17N2O6S2+	148	703	5.1	31	0	8	5	"InChI=1S/C21H17N2O6S2/c1-27-16-7-12(8-17(28-2)19(16)29-3)9-18-20(24)22-15(11-30-21(22)31-18)13-5-4-6-14(10-13)23(25)26/h4-11H,1-3H3/q+1/b18-9-"	COC1=CC(=CC(=C1OC)OC)/C=C\\2/C(=O)[N+]3=C(S2)SC=C3C4=CC(=CC=C4)[N+](=O)[O-]	CIILKHKNVQCWMT-NVMNQCDNSA-N
DG63402	"(5Z)-5-[2-(4-chlorophenyl)sulfanyl-2-(2,4-dichlorophenyl)ethylidene]-6-methyl-2H-1,2,4-triazin-3-imine"	6036179	"NSC698026; CHEMBL2003984; NSC-698026; (5Z)-5-[2-(4-chlorophenyl)sulfanyl-2-(2,4-dichlorophenyl)ethylidene]-6-methyl-2H-1,2,4-triazin-3-imine; 3-Amino-6-methyl-4,5-dihydro-5-[2-[(4-chlorophenyl)thio]-2-(2,4-dichlorophenyl)ethylidene]-1,2,4-triazine; 5-(2-((4-Chlorophenyl)thio)-2-(2,4-dichlorophenyl)ethylidene)-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-imine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698026	.	.	.	.	425.8	C18H15Cl3N4S	88.1	587	5	26	2	3	4	"InChI=1S/C18H15Cl3N4S/c1-10-16(23-18(22)25-24-10)9-17(14-7-4-12(20)8-15(14)21)26-13-5-2-11(19)3-6-13/h2-9,17H,1H3,(H3,22,23,25)/b16-9-"	CC\\1=NNC(=N/C1=C\\C(C2=C(C=C(C=C2)Cl)Cl)SC3=CC=C(C=C3)Cl)N	PPBGFNXOTZJJBY-SXGWCWSVSA-N
DG63403	"1-(3,4-Dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propene-1-one"	6039866	"MLS003107057; NSC196539; CHEMBL571412; ZINC6341209; AKOS008687288; NSC-196539; 1-(3,4-Dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propene-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	196539	.	.	.	.	314.3	C18H18O5	65	408	3.2	23	1	5	6	"InChI=1S/C18H18O5/c1-21-16-8-5-12(10-15(16)20)4-7-14(19)13-6-9-17(22-2)18(11-13)23-3/h4-11,20H,1-3H3/b7-4+"	COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2)OC)OC)O	WCFCUJHEHZOPLY-QPJJXVBHSA-N
DG63404	4-nitro-2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline	6050084	NSC155594; ZINC16979024; ZINC104138550; NSC-155594; 4-nitro-2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline; (4-Amino-3-((3-phenyl-2-propenylidene)amino)phenyl)(hydroxy)azane oxide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	155594	.	.	.	.	267.28	C15H13N3O2	84.2	370	2.8	20	1	4	3	"InChI=1S/C15H13N3O2/c16-14-9-8-13(18(19)20)11-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-11H,16H2/b7-4+,17-10 "	C1=CC=C(C=C1)/C=C/C=NC2=C(C=CC(=C2)[N+](=O)[O-])N	FHGCGGSPHMBGPN-ZFENKPHASA-N
DG63405	"(E)-N,N-dimethyl-2-(5-nitro-1,3,4-thiadiazol-2-yl)ethenamine"	6051815	NSC163055; CHEMBL1989013; ZINC73351350; NSC-163055	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163055	.	.	.	.	200.22	C6H8N4O2S	103	215	1.1	13	0	6	2	"InChI=1S/C6H8N4O2S/c1-9(2)4-3-5-7-8-6(13-5)10(11)12/h3-4H,1-2H3/b4-3+"	CN(C)/C=C/C1=NN=C(S1)[N+](=O)[O-]	VMVKEXPTGFUUTD-ONEGZZNKSA-N
DG63406	"2,6-Bis(4-hydroxy-3-(1-piperidinylmethyl)benzylidene)cyclohexanone"	6052863	"NSC683833; CHEMBL1968170; NSC-683833; 2,6-Bis(4-hydroxy-3-(1-piperidinylmethyl)benzylidene)cyclohexanone; (2E,6E)-2,6-bis[[4-hydroxy-3-(1-piperidylmethyl)phenyl]methylene]cyclohexanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683833	.	.	.	.	500.7	C32H40N2O3	64	747	5.7	37	2	5	6	"InChI=1S/C32H40N2O3/c35-30-12-10-24(20-28(30)22-33-14-3-1-4-15-33)18-26-8-7-9-27(32(26)37)19-25-11-13-31(36)29(21-25)23-34-16-5-2-6-17-34/h10-13,18-21,35-36H,1-9,14-17,22-23H2/b26-18+,27-19+"	C1CCN(CC1)CC2=C(C=CC(=C2)/C=C\\3/C(=O)/C(=C/C4=CC(=C(C=C4)O)CN5CCCCC5)/CCC3)O	RQRCECSLBNENFG-BFNWXZRRSA-N
DG63407	trans-N-Hydroxy-4-acetylaminostilbene	6054491	"trans-N-Hydroxy-aas; trans-N-Hydroxy-4-acetylaminostilbene; 843-23-2; N-Hydroxy-4-acetylaminostilbene; N-hydroxy-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide; 4-(N-Hydroxyacetamido)stilbene; HAAS; N-Acetyl-N-hydroxy-trans-4-aminostilbene; N-(p-Styrylphenyl)acetohydroxamic acid; CCRIS 2360; ACETOHYDROXAMIC ACID, N-(p-STYRYLPHENYL)-; MLS003389289; trans-N-Hydroxy-4-acetamidostilbene; trans-N-(p-Styrylphenyl)acetohydroxamic acid; ACETOHYDROXAMIC ACID, trans-N-(p-STYRYLPHENYL)-; (E)-Acetamide, N-hydroxy-N-(4-(2-phenylethenyl)phenyl)-; WLN: 1VNQR D1U1R; Acetamide, N-hydroxy-N-[4-(2-phenylethenyl)phenyl]-; CHEMBL298662; SCHEMBL3343041; SCHEMBL3343044; NSC83219; NSC-83219"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83219	.	.	.	.	253.29	C16H15NO2	40.5	313	3.1	19	1	2	3	"InChI=1S/C16H15NO2/c1-13(18)17(19)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-12,19H,1H3/b8-7+"	CC(=O)N(C1=CC=C(C=C1)/C=C/C2=CC=CC=C2)O	RWXNJPBIVZZSQA-BQYQJAHWSA-N
DG63408	Rubrolide A	6055630	"Rubrolide A; CHEMBL511842; SCHEMBL12402314; BDBM50064292; NSC701303; NSC-701303; 3',3'',5',5''-Tetrabromorubrolide E"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701303	.	.	.	.	595.9	C17H8Br4O4	66.8	569	5.6	25	2	4	2	"InChI=1S/C17H8Br4O4/c18-10-1-7(2-11(19)16(10)23)3-14-9(6-15(22)25-14)8-4-12(20)17(24)13(21)5-8/h1-6,23-24H/b14-3-"	C1=C(C=C(C(=C1Br)O)Br)/C=C\\2/C(=CC(=O)O2)C3=CC(=C(C(=C3)Br)O)Br	RQFYDYMMVXKTBY-BNNQUZSASA-N
DG63409	"(E)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-(4-hydroxy-3-methoxy-phenyl)prop-2-en-1-one"	6055758	"NSC640582; CHEMBL1964292; ZINC16957623; AKOS024423387; NSC-640582; (2E)-1-[2-(3,5-DIPHENYL-1H-PYRAZOL-1-YL)-4-METHYL-1,3-THIAZOL-5-YL]-3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPEN-1-ONE; (E)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-(4-hydroxy-3-methoxy-phenyl)prop-2-en-1-one; 1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640582	.	.	.	.	493.6	C29H23N3O3S	106	754	6.7	36	1	6	7	"InChI=1S/C29H23N3O3S/c1-19-28(26(34)16-14-20-13-15-25(33)27(17-20)35-2)36-29(30-19)32-24(22-11-7-4-8-12-22)18-23(31-32)21-9-5-3-6-10-21/h3-18,33H,1-2H3/b16-14+"	CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)/C=C/C5=CC(=C(C=C5)O)OC	ZZNSOJTZSARKIF-JQIJEIRASA-N
DG63410	"Veratraldehyde, (5-nitro-2-pyridyl)hydrazone"	6058184	"28058-37-9; BRN 0432136; Veratraldehyde, (5-nitro-2-pyridyl)hydrazone; NSC52429; ZINC5141264; NSC 52429; NSC-52429"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	52429	.	.	.	.	302.29	C14H14N4O4	102	388	2.6	22	1	7	5	"InChI=1S/C14H14N4O4/c1-21-12-5-3-10(7-13(12)22-2)8-16-17-14-6-4-11(9-15-14)18(19)20/h3-9H,1-2H3,(H,15,17)/b16-8-"	COC1=C(C=C(C=C1)/C=N\\NC2=NC=C(C=C2)[N+](=O)[O-])OC	MRQJAFVCQWRYMV-PXNMLYILSA-N
DG63411	o-Bromo-alpha-benzoyl cinnamonitrile	6061570	NSC643769; o-Bromo-.alpha.-benzoyl cinnamonitrile; (E)-2-benzoyl-3-(2-bromophenyl)prop-2-enenitrile; CHEMBL2000677; ZINC5810970; NSC-643769; 2-Benzoyl-3-(2-bromophenyl)acrylonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643769	.	.	.	.	312.16	C16H10BrNO	40.9	400	4.3	19	0	2	3	InChI=1S/C16H10BrNO/c17-15-9-5-4-8-13(15)10-14(11-18)16(19)12-6-2-1-3-7-12/h1-10H/b14-10+	C1=CC=C(C=C1)C(=O)/C(=C/C2=CC=CC=C2Br)/C#N	IFOCECLBVDYQHT-GXDHUFHOSA-N
DG63412	3-Methoxy-4-benzyloxy-alpha-benzoylcinnamonitrile	6062847	NSC643190; 3-Methoxy-4-benzyloxy-.alpha.-benzoylcinnamonitrile; (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(phenylcarbonyl)prop-2-enenitrile; CHEMBL1995321; ZINC5810754; STK062268; AKOS003952222; NSC-643190; NCGC00338231-01; AB01331442-02; 2-Benzoyl-3-(4-(benzyloxy)-3-methoxyphenyl)acrylonitrile; (E)-2-benzoyl-3-(4-benzyloxy-3-methoxy-phenyl)prop-2-enenitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643190	.	.	.	.	369.4	C24H19NO3	59.3	578	5.1	28	0	4	7	"InChI=1S/C24H19NO3/c1-27-23-15-19(12-13-22(23)28-17-18-8-4-2-5-9-18)14-21(16-25)24(26)20-10-6-3-7-11-20/h2-15H,17H2,1H3/b21-14+"	COC1=C(C=CC(=C1)/C=C(\\C#N)/C(=O)C2=CC=CC=C2)OCC3=CC=CC=C3	SFIXTJGUMGRISS-KGENOOAVSA-N
DG63413	(E)-3-(4-methoxyphenyl)-1-[4-methyl-2-(3-pyridyl)thiazol-5-yl]prop-2-en-1-one	6063589	"NSC640575; CHEMBL1968706; ZINC6483817; NSC-640575; (E)-3-(4-methoxyphenyl)-1-[4-methyl-2-(3-pyridyl)thiazol-5-yl]prop-2-en-1-one; 3-(4-Methoxyphenyl)-1-(4-methyl-2-(3-pyridinyl)-1,3-thiazol-5-yl)-2-propen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640575	.	.	.	.	336.4	C19H16N2O2S	80.3	449	4	24	0	5	5	"InChI=1S/C19H16N2O2S/c1-13-18(24-19(21-13)15-4-3-11-20-12-15)17(22)10-7-14-5-8-16(23-2)9-6-14/h3-12H,1-2H3/b10-7+"	CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)OC	BSNZIAGYYHPTQB-JXMROGBWSA-N
DG63414	"2,3-Dichloro-4-((hydrazinocarbothioyl)hydrazono)-2-butenoic acid"	6065255	"NSC634481; CHEMBL1971009; ZINC104284989; NSC-634481; 2,3-Dichloro-4-((hydrazinocarbothioyl)hydrazono)-2-butenoic acid; (E,4E)-4-(aminocarbamothioylhydrazono)-2,3-dichloro-but-2-enoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634481	.	.	.	.	257.1	C5H6Cl2N4O2S	132	304	-1.6	14	4	5	3	"InChI=1S/C5H6Cl2N4O2S/c6-2(3(7)4(12)13)1-9-11-5(14)10-8/h1H,8H2,(H,12,13)(H2,10,11,14)/b3-2+,9-1+"	C(=N/NC(=S)NN)\\C(=C(\\C(=O)O)/Cl)\\Cl	VSPZJSXPAWDVPF-UZZALQNOSA-N
DG63415	NSC680094	6065911	"N,N-diethyl-2-[(E)-(3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)amino]oxy-ethanamine; NSC680094; 3-Methoxyestra-1,3,5(10)-trien-17-one O-(2-(diethylamino)ethyl)oxime hydrochloride; N,N-diethyl-2-[(E)-(3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)amino]oxy-ethanamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680094	.	.	.	.	398.6	C25H38N2O2	34.1	575	4.8	29	0	4	7	"InChI=1S/C25H38N2O2/c1-5-27(6-2)15-16-29-26-24-12-11-23-22-9-7-18-17-19(28-4)8-10-20(18)21(22)13-14-25(23,24)3/h8,10,17,21-23H,5-7,9,11-16H2,1-4H3/b26-24+"	CCN(CC)CCO/N=C/1\\CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC)C	GBUIYJIHSMUXFN-SHHOIMCASA-N
DG63416	"1,2,3,4-Tetrahydro-2,4-dioxo-6-methyl-N-[1-(hydroxymethyl)-2-[[(methylsulfinyl)methyl]sulfinyl]ethyl]-5-pyrimidineacrylamide"	6066399	"61786-77-4; CHEMBL1993450; NSC251819; NSC-251819; 1,2,3,4-Tetrahydro-2,4-dioxo-6-methyl-N-[1-(hydroxymethyl)-2-[[(methylsulfinyl)methyl]sulfinyl]ethyl]-5-pyrimidineacrylamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	251819	.	.	.	.	377.4	C13H19N3O6S2	180	644	-3.1	24	4	8	8	"InChI=1S/C13H19N3O6S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-24(22)7-23(2)21/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+"	CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)NC(CO)CS(=O)CS(=O)C	ZIMCIWWBWLSQCN-ONEGZZNKSA-N
DG63417	5-chloro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]-3-(trifluoromethyl)pyridin-2-amine	6067084	NSC693629; CHEMBL1968684; NSC-693629	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693629	.	.	.	.	376.8	C18H12ClF3N4	50.2	480	5.5	26	1	7	4	"InChI=1S/C18H12ClF3N4/c19-13-10-14(18(20,21)22)17(24-11-13)26-25-16(12-6-2-1-3-7-12)15-8-4-5-9-23-15/h1-11H,(H,24,26)/b25-16-"	C1=CC=C(C=C1)/C(=N/NC2=C(C=C(C=N2)Cl)C(F)(F)F)/C3=CC=CC=N3	CTJPCKPVHCXBCQ-XYGWBWBKSA-N
DG63418	"Hydrazinecarbothioamide, 2-[(5-amino-1-isoquinolinyl)methylene]-"	6069240	"20335-57-3; MLS003107199; Hydrazinecarbothioamide, 2-[(5-amino-1-isoquinolinyl)methylene]-; 2-((5-Aminoisoquinolin-1-yl)methylene)hydrazinecarbothioamide; ZINC5162114; NSC205105; NSC-205105"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	205105	.	.	.	.	245.31	C11H11N5S	121	306	1	17	3	4	2	"InChI=1S/C11H11N5S/c12-9-3-1-2-8-7(9)4-5-14-10(8)6-15-16-11(13)17/h1-6H,12H2,(H3,13,16,17)/b15-6-"	C1=CC2=C(C=CN=C2/C=N\\NC(=S)N)C(=C1)N	MLTULNASULCZLR-UUASQNMZSA-N
DG63419	2-[(Z)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran	6072945	CHEMBL1970868; 53288-63-4; DTXSID30421885; NSC291049; ZINC17106446; NSC-291049	.	.	Investigative Drug(s)	Investigative	Small molecular drug	291049	.	.	.	.	390.3	C16H10N2O8S	160	699	3.3	27	0	8	4	"InChI=1S/C16H10N2O8S/c19-17(20)15-8-6-11(25-15)10-14(13-7-9-16(26-13)18(21)22)27(23,24)12-4-2-1-3-5-12/h1-10H/b14-10-"	C1=CC=C(C=C1)S(=O)(=O)/C(=C\\C2=CC=C(O2)[N+](=O)[O-])/C3=CC=C(O3)[N+](=O)[O-]	STDKPKUCUGOEAT-UVTDQMKNSA-N
DG63420	4-[(E)-inden-1-ylidenemethyl]-N-methylaniline	6074315	"NSC82013; 4-[(E)-inden-1-ylidenemethyl]-N-methylaniline; 443-29-8; p-Toluidine, .alpha.-inden-1-ylidene-N-methyl-; Benzenamine, 4-(1H-inden-1-ylidenemethyl)-N-methyl-; N-(4-(1H-Inden-1-ylidenemethyl)phenyl)-N-methylamine; N-[4-(1H-inden-1-ylidenemethyl)phenyl]-N-methylamine; 4-(1H-Inden-1-ylidenemethyl)-N-methylaniline; CHEMBL1877500; ZINC1627415; NSC-82013; NCGC00184071-01; NCGC00184071-02; NCGC00184071-03; NCGC00184071-04; NCGC00184071-05; NCGC00184071-06; NCGC00184071-07; NCGC00184071-08; NCGC00184071-09; NCGC00184071-10; NCGC00184071-11; NCGC00184071-12; NCGC00184071-13; 4-[(E)-inden-1-ylidenemethyl]-N-methyl-aniline; AT-051/43421302"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82013	.	.	.	.	233.31	C17H15N	12	334	4.3	18	1	1	2	"InChI=1S/C17H15N/c1-18-16-10-6-13(7-11-16)12-15-9-8-14-4-2-3-5-17(14)15/h2-12,18H,1H3/b15-12+"	CNC1=CC=C(C=C1)/C=C/2\\C=CC3=CC=CC=C32	NGLDRQSSOKKORP-NTCAYCPXSA-N
DG63421	"(3Z)-5-bromo-3-(3,4,5-trimethoxybenzylidene)-1,3-dihydro-2H-indol-2-one"	6075235	"CHEMBL2385429; ZINC4757811; NSC747138; NSC-747138; (3Z)-5-bromo-3-(3,4,5-trimethoxybenzylidene)-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747138	.	.	.	.	390.2	C18H16BrNO4	56.8	483	3.5	24	1	4	4	"InChI=1S/C18H16BrNO4/c1-22-15-7-10(8-16(23-2)17(15)24-3)6-13-12-9-11(19)4-5-14(12)20-18(13)21/h4-9H,1-3H3,(H,20,21)/b13-6-"	COC1=CC(=CC(=C1OC)OC)/C=C\\2/C3=C(C=CC(=C3)Br)NC2=O	OKBRRRLUPZOKEY-MLPAPPSSSA-N
DG63422	4-Propargylpiperazine-1-carbothioic acid 2-[1-[2-pyridyl]ethylidene]	6076911	"NSC376266; ZINC16942072; 4-Propargylpiperazine-1-carbothioic acid 2-[1-[2-pyridyl]ethylidene]; 1-Piperazinethiocarboxylic acid, 4-(2-propynyl)- {2-[1-(2-pyridinyl)ethylidene]hydrazide}; 4-(2-Propynyl)-N'-(1-(2-pyridinyl)ethylidene)-1-piperazinecarbothiohydrazide; 4-(2-Propynyl)-N'-[(Z)-1-(2-pyridinyl)ethylidene]-1-piperazinecarbothiohydrazide #; 4-prop-2-ynyl-N-[(Z)-1-(2-pyridyl)ethylideneamino]piperazine-1-carbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	376266	.	.	.	.	301.4	C15H19N5S	75.8	431	1.2	21	1	4	3	"InChI=1S/C15H19N5S/c1-3-8-19-9-11-20(12-10-19)15(21)18-17-13(2)14-6-4-5-7-16-14/h1,4-7H,8-12H2,2H3,(H,18,21)/b17-13-"	C/C(=N/NC(=S)N1CCN(CC1)CC#C)/C2=CC=CC=N2	OGHLKBYOYCGJPR-LGMDPLHJSA-N
DG63423	1-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-nitrophenyl)urea	6078767	NSC691664; CHEMBL1986857; NSC-691664	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691664	.	.	.	.	334.3	C18H14N4O3	99.3	497	3.6	25	2	4	3	"InChI=1S/C18H14N4O3/c23-18(20-15-8-10-16(11-9-15)22(24)25)21-19-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12H,(H2,20,21,23)/b19-12-"	C1=CC=C2C(=C1)C=CC=C2/C=N\\NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]	CCMCAPDCEKQGPS-UNOMPAQXSA-N
DG63424	"1-(5,8-dimethyl-6-nitro-9H-carbazol-3-yl)ethanone hydrazone"	6078917	"NSC652561; CHEMBL1985843; NSC-652561; 1-(5,8-dimethyl-6-nitro-9H-carbazol-3-yl)ethanone hydrazone; 1-(6-(Hydroxy(oxido)amino)-5,8-dimethyl-9H-carbazol-3-yl)ethanone hydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652561	.	.	.	.	296.32	C16H16N4O2	100	475	3.6	22	2	4	1	"InChI=1S/C16H16N4O2/c1-8-6-14(20(21)22)9(2)15-12-7-11(10(3)19-17)4-5-13(12)18-16(8)15/h4-7,18H,17H2,1-3H3/b19-10-"	CC1=CC(=C(C2=C1NC3=C2C=C(C=C3)/C(=N\\N)/C)C)[N+](=O)[O-]	KRBRNDLWTOCOTD-GRSHGNNSSA-N
DG63425	"2-Amino-4-(2-methoxy-5-(2-(3,4,5-trimethoxyphenyl)vinyl)phenoxy)-4-oxobutanoic acid hydrochloride"	6080408	"NSC647246; 2-amino-4-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]phenoxy]-4-oxo-butanoic acid; 2-Amino-4-(2-methoxy-5-(2-(3,4,5-trimethoxyphenyl)vinyl)phenoxy)-4-oxobutanoic acid hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647246	.	.	.	.	431.4	C22H25NO8	127	598	0.2	31	2	9	11	"InChI=1S/C22H25NO8/c1-27-16-8-7-13(9-17(16)31-20(24)12-15(23)22(25)26)5-6-14-10-18(28-2)21(30-4)19(11-14)29-3/h5-11,15H,12,23H2,1-4H3,(H,25,26)/b6-5+"	COC1=C(C=C(C=C1)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)OC(=O)CC(C(=O)O)N	GZOWBRSJOMESIG-AATRIKPKSA-N
DG63426	"N-(7,8-Dimethyl-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-3-phenylacrylamide"	6080447	"NSC636998; CHEMBL2003467; NSC-636998; (E)-N-(7,8-dimethyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)-3-phenyl-prop-2-enamide; N-(7,8-Dimethyl-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-3-phenylacrylamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636998	.	.	.	.	333.4	C20H19N3O2	70.6	551	2.7	25	2	3	3	"InChI=1S/C20H19N3O2/c1-13-10-16-17(11-14(13)2)23-20(25)18(12-21-16)22-19(24)9-8-15-6-4-3-5-7-15/h3-12,18H,1-2H3,(H,22,24)(H,23,25)/b9-8+"	CC1=CC2=C(C=C1C)N=CC(C(=O)N2)NC(=O)/C=C/C3=CC=CC=C3	AVJOPEFEVYSOOB-CMDGGOBGSA-N
DG63427	N'-(1-Benzyl-3-(dimethylamino)-2-phenylpropylidene)isonicotinohydrazide	6081287	NSC647254; CHEMBL1969860; NSC-647254; N'-(1-Benzyl-3-(dimethylamino)-2-phenylpropylidene)isonicotinohydrazide; N-[(Z)-[1-benzyl-3-(dimethylamino)-2-phenyl-propylidene]amino]pyridine-4-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647254	.	.	.	.	386.5	C24H26N4O	57.6	515	3.6	29	1	4	8	"InChI=1S/C24H26N4O/c1-28(2)18-22(20-11-7-4-8-12-20)23(17-19-9-5-3-6-10-19)26-27-24(29)21-13-15-25-16-14-21/h3-16,22H,17-18H2,1-2H3,(H,27,29)/b26-23-"	CN(C)CC(C1=CC=CC=C1)/C(=N\\NC(=O)C2=CC=NC=C2)/CC3=CC=CC=C3	NBDFSGIKEMKEQE-RWEWTDSWSA-N
DG63428	"3-(2-(3-((4-Methylphenyl)thio)-1-butenyl)hydrazino)-5,6-diphenyl-2,5-dihydro-1,2,4-triazine"	6081322	"NSC640640; CHEMBL1996701; NSC-640640; 1-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)-2-[(E)-3-(p-tolylsulfanyl)but-1-enyl]hydrazine; 3-(2-(3-((4-Methylphenyl)thio)-1-butenyl)hydrazino)-5,6-diphenyl-2,5-dihydro-1,2,4-triazine; 3-(2-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazino)-1-methyl-2-propenyl 4-methylphenyl sulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640640	.	.	.	.	441.6	C26H27N5S	86.1	655	6.1	32	3	4	8	"InChI=1S/C26H27N5S/c1-19-13-15-23(16-14-19)32-20(2)17-18-27-30-26-28-24(21-9-5-3-6-10-21)25(29-31-26)22-11-7-4-8-12-22/h3-18,20,24,27H,1-2H3,(H2,28,30,31)/b18-17+"	CC1=CC=C(C=C1)SC(C)/C=C/NNC2=NC(C(=NN2)C3=CC=CC=C3)C4=CC=CC=C4	XVFLOSRILJBFTA-ISLYRVAYSA-N
DG63429	"N-[(Z)-(1'-iodo-2'-oxospiro[cyclohex-2-ene-4,3'-indole]-1-ylidene)amino]-4-methylbenzenesulfonamide"	6081340	"NSC694681; CHEMBL2005063; NSC-694681; Benzenesulfonic acid, 4-methyl-, [(4Z)-1',2'-dihydro-1'-iodo-2'-oxospiro[cyclohex-2-ene-1,3'-[3H]indol]-4-ylidene]hydrazide; N-[(Z)-(1'-iodo-2'-oxo-spiro[cyclohex-2-ene-4,3'-indoline]-1-ylidene)amino]-4-methyl-benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694681	.	.	.	.	507.3	C20H18IN3O3S	87.2	783	3.4	28	1	5	3	"InChI=1S/C20H18IN3O3S/c1-14-6-8-16(9-7-14)28(26,27)23-22-15-10-12-20(13-11-15)17-4-2-3-5-18(17)24(21)19(20)25/h2-10,12,23H,11,13H2,1H3/b22-15+"	CC1=CC=C(C=C1)S(=O)(=O)N/N=C\\2/CCC3(C=C2)C4=CC=CC=C4N(C3=O)I	ARABGRUWUDGFHK-PXLXIMEGSA-N
DG63430	"Phosphinic acid, methyl ester"	6082545	"NSC669680; Phosphinic acid, methyl ester; CHEMBL1975928; Methyl N-hydroxy-2-phenylethanimidoyl(methyl)phosphinate; NSC-669680; 1-[methoxy(methyl)phosphoryl]-2-phenyl-ethanone oxime; Phosphinic acid, {[1-(hydroxyimino)-2-phenylethyl]} methyl-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669680	.	.	.	.	227.2	C10H14NO3P	58.9	272	1.1	15	1	4	4	"InChI=1S/C10H14NO3P/c1-14-15(2,13)10(11-12)8-9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3/b11-10-"	COP(=O)(C)/C(=N\\O)/CC1=CC=CC=C1	NFNSCRWAQXPMNQ-KHPPLWFESA-N
DG63431	(2E)-2-[(4-chlorophenyl)methylidene]-5-[(4-ethoxyanilino)methyl]cyclopentan-1-one	6091065	NSC639542; CHEMBL2003790; NSC-639542	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639542	.	.	.	.	355.9	C21H22ClNO2	38.3	463	5.1	25	1	3	6	"InChI=1S/C21H22ClNO2/c1-2-25-20-11-9-19(10-12-20)23-14-17-6-5-16(21(17)24)13-15-3-7-18(22)8-4-15/h3-4,7-13,17,23H,2,5-6,14H2,1H3/b16-13+"	CCOC1=CC=C(C=C1)NCC2CC/C(=C\\C3=CC=C(C=C3)Cl)/C2=O	QIHDKRFDEVJKDM-DTQAZKPQSA-N
DG63432	(NZ)-N-[benzyl(p-tolyl)-$l^{4}-sulfanylidene]-4-methyl-benzenesulfonamide	6101991	NSC655044; CHEMBL1975842; NSC-655044; (NZ)-N-[benzyl(p-tolyl)-$l^{4}-sulfanylidene]-4-methyl-benzenesulfonamide; N-(Benzyl(4-methylphenyl)-.lambda.~4~-sulfanylidene)-4-methylbenzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655044	.	.	.	.	383.5	C21H21NO2S2	74.1	559	6.4	26	0	4	5	"InChI=1S/C21H21NO2S2/c1-17-8-12-20(13-9-17)25(16-19-6-4-3-5-7-19)22-26(23,24)21-14-10-18(2)11-15-21/h3-15H,16H2,1-2H3"	CC1=CC=C(C=C1)/S(=N\\S(=O)(=O)C2=CC=C(C=C2)C)/CC3=CC=CC=C3	HZJNRIDKGGZROP-UHFFFAOYSA-N
DG63433	1-(4-((1H-Benzimidazol-2-ylmethyl)amino)phenyl)-3-phenyl-2-propen-1-one	6105764	NSC645069; CHEMBL1968943; NSC-645069; 1-(4-((1H-Benzimidazol-2-ylmethyl)amino)phenyl)-3-phenyl-2-propen-1-one; (E)-1-[4-(1H-benzimidazol-2-ylmethylamino)phenyl]-3-phenyl-prop-2-en-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645069	.	.	.	.	353.4	C23H19N3O	57.8	506	4.8	27	2	3	6	"InChI=1S/C23H19N3O/c27-22(15-10-17-6-2-1-3-7-17)18-11-13-19(14-12-18)24-16-23-25-20-8-4-5-9-21(20)26-23/h1-15,24H,16H2,(H,25,26)/b15-10+"	C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)NCC3=NC4=CC=CC=C4N3	KIMXFCUSPBTKHJ-XNTDXEJSSA-N
DG63434	"N,1-Bis(2,6-dimethylphenyl)-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide"	6105822	"NSC623873; CHEMBL1967960; NSC-623873; N,1-Bis(2,6-dimethylphenyl)-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide; (4Z)-N,1-bis(2,6-dimethylphenyl)-4-hydrazinylidene-2,5-dioxo-pyrrolidine-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623873	.	.	.	.	378.4	C21H22N4O3	105	657	3.9	28	2	5	3	"InChI=1S/C21H22N4O3/c1-11-7-5-8-12(2)16(11)23-19(26)15-17(24-22)21(28)25(20(15)27)18-13(3)9-6-10-14(18)4/h5-10,15H,22H2,1-4H3,(H,23,26)/b24-17-"	CC1=C(C(=CC=C1)C)NC(=O)C2/C(=N/N)/C(=O)N(C2=O)C3=C(C=CC=C3C)C	BWJPYULRLZRXOR-ULJHMMPZSA-N
DG63435	"N-(2,5-dihydroxystyryl)acetamide"	6105823	"NSC625301; CHEMBL489146; N-(2,5-dihydroxystyryl)acetamide; N-[(E)-2-(2,5-dihydroxyphenyl)ethenyl]acetamide; SCHEMBL10413432; ZINC5813269; BDBM50025472; NSC-625301; N-(2-(2,5-Dihydroxyphenyl)vinyl)acetamide; N-[(E)-2-(2,5-dihydroxyphenyl)vinyl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625301	.	.	.	.	193.2	C10H11NO3	69.6	227	0.8	14	3	3	2	"InChI=1S/C10H11NO3/c1-7(12)11-5-4-8-6-9(13)2-3-10(8)14/h2-6,13-14H,1H3,(H,11,12)/b5-4+"	CC(=O)N/C=C/C1=C(C=CC(=C1)O)O	TYVCZBIWWRZZHO-SNAWJCMRSA-N
DG63436	"(E)-N-(1-benzylsulfinyl-3-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide"	6105995	"NSC239749; 61786-72-9; (E)-N-(1-benzylsulfinyl-3-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide; Mdl 19152; MLS003115202; Mdl 19,152; CHEMBL1994582; MDL-19152; NSC-239749; (E)-N-[1-(benzylsulfinylmethyl)-2-hydroxy-ethyl]-3-(2,4-dihydroxy-6-methyl-pyrimidin-5-yl)prop-2-enamide; 2-Propenamide, N-(1-(hydroxymethyl)-2-((phenylmethyl)sulfinyl)ethyl)-3-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, (1R-(E))-; N-(2-(Benzylsulfinyl)-1-(hydroxymethyl)ethyl)-3-(2,4-dihydroxy-6-methyl-5-pyrimidinyl)acrylamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	239749	.	.	.	.	391.4	C18H21N3O5S	144	668	-0.8	27	4	6	8	"InChI=1S/C18H21N3O5S/c1-12-15(17(24)21-18(25)19-12)7-8-16(23)20-14(9-22)11-27(26)10-13-5-3-2-4-6-13/h2-8,14,22H,9-11H2,1H3,(H,20,23)(H2,19,21,24,25)/b8-7+"	CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)NC(CO)CS(=O)CC2=CC=CC=C2	YLMGINPOMBXUKT-BQYQJAHWSA-N
DG63437	"1,2-Dibromo-1-phenyl-2-(3-phenylacryloyl)ethane"	6107678	"58225-27-7; NSC117222; AKOS015967068; NSC-117222; 1,2-Dibromo-1-phenyl-2-(3-phenylacryloyl)ethane; 72998-15-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117222	.	.	.	.	394.1	C17H14Br2O	17.1	328	5.1	20	0	1	5	"InChI=1S/C17H14Br2O/c18-16(14-9-5-2-6-10-14)17(19)15(20)12-11-13-7-3-1-4-8-13/h1-12,16-17H/b12-11+"	C1=CC=C(C=C1)/C=C/C(=O)C(C(C2=CC=CC=C2)Br)Br	QWRCGOMWOXYYBU-VAWYXSNFSA-N
DG63438	2-[[(Z)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]butanedioic acid	6109488	NSC686409; CHEMBL1990282; NSC-686409; 2-[[(Z)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]butanedioic acid; N-(2-(Benzoylamino)-3-(4-(dimethylamino)phenyl)acryloyl)aspartic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686409	.	.	.	.	425.4	C22H23N3O6	136	691	1.9	31	4	7	9	"InChI=1S/C22H23N3O6/c1-25(2)16-10-8-14(9-11-16)12-17(23-20(28)15-6-4-3-5-7-15)21(29)24-18(22(30)31)13-19(26)27/h3-12,18H,13H2,1-2H3,(H,23,28)(H,24,29)(H,26,27)(H,30,31)/b17-12-"	CN(C)C1=CC=C(C=C1)/C=C(/C(=O)NC(CC(=O)O)C(=O)O)\\NC(=O)C2=CC=CC=C2	NYGWVXFNECLBDK-ATVHPVEESA-N
DG63439	"9H-Quino[4,2-de]phenanthrolin-9-one, 2-(2-phenylethylene)-"	6144589	"NSC686555; NSC-686555; 9H-Quino[4,2-de]phenanthrolin-9-one, 2-(2-phenylethylene)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686555	.	.	.	.	385.4	C26H15N3O	55.7	671	5.1	30	0	4	2	InChI=1S/C26H15N3O/c30-26-19-10-6-14-27-23(19)24-22-20(18-9-4-5-11-21(18)29-25(22)26)15-17(28-24)13-12-16-7-2-1-3-8-16/h1-15H/b13-12+	C1=CC=C(C=C1)/C=C/C2=CC3=C4C(=N2)C5=C(C=CC=N5)C(=O)C4=NC6=CC=CC=C63	LAPYAYNGQLTKNC-OUKQBFOZSA-N
DG63440	NSC763545	6146357	"ethyl (9E)-5-(4-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylate; NSC763545; NSC-763545"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763545	.	.	.	.	511.5	C27H24Cl2N2O2S	67.2	940	6.6	34	0	4	5	"InChI=1S/C27H24Cl2N2O2S/c1-3-33-26(32)25-16(2)31-24(18-9-13-21(29)14-10-18)22-6-4-5-19(23(22)30-27(31)34-25)15-17-7-11-20(28)12-8-17/h7-15,24H,3-6H2,1-2H3/b19-15+"	CCOC(=O)C1=C(N2C(C3=C(/C(=C/C4=CC=C(C=C4)Cl)/CCC3)N=C2S1)C5=CC=C(C=C5)Cl)C	YDPBQYYRYLSVPN-XDJHFCHBSA-N
DG63441	NSC54709	6147639	"(16E)-3-hydroxy-10,13-dimethyl-16-(pyrrolidin-1-ylmethylidene)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one; MLS000737297; (16E)-3-hydroxy-10,13-dimethyl-16-(pyrrolidin-1-ylmethylidene)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one; 26013-82-1; SMR000528254; CHEMBL2004711; HMS2884I20; NSC54709; NSC-54709"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54709	.	.	.	.	369.5	C24H35NO2	40.5	703	4.1	27	1	3	1	"InChI=1S/C24H35NO2/c1-23-9-7-18(26)14-17(23)5-6-19-20(23)8-10-24(2)21(19)13-16(22(24)27)15-25-11-3-4-12-25/h5,15,18-21,26H,3-4,6-14H2,1-2H3/b16-15+"	CC12CCC(CC1=CCC3C2CCC4(C3C/C(=C\\N5CCCC5)/C4=O)C)O	BLPWZFDTYUVONX-FOCLMDBBSA-N
DG63442	"(E)-1,3-diphenyl-2-(piperidin-1-ylmethyl)prop-2-en-1-one"	6147837	MLS002704132; ZINC4991038; NSC109154; NSC-109154; 7204-44-6	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109154	.	.	.	.	305.4	C21H23NO	20.3	396	4.4	23	0	2	5	"InChI=1S/C21H23NO/c23-21(19-12-6-2-7-13-19)20(16-18-10-4-1-5-11-18)17-22-14-8-3-9-15-22/h1-2,4-7,10-13,16H,3,8-9,14-15,17H2/b20-16+"	C1CCN(CC1)C/C(=C\\C2=CC=CC=C2)/C(=O)C3=CC=CC=C3	UBMWIWOZOGGSGI-CAPFRKAQSA-N
DG63443	3-(3-Phenoxyphenyl)-2-phenylacrylonitrile	6148733	NSC643032; m-Phenoxy-.alpha.-phenylcinnamonitrile; ZINC1628705; 3-(3-Phenoxyphenyl)-2-phenylacrylonitrile; (Z)-3-(3-phenoxyphenyl)-2-phenyl-prop-2-enenitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643032	.	.	.	.	297.3	C21H15NO	33	434	5.2	23	0	2	4	InChI=1S/C21H15NO/c22-16-19(18-9-3-1-4-10-18)14-17-8-7-13-21(15-17)23-20-11-5-2-6-12-20/h1-15H/b19-14+	C1=CC=C(C=C1)/C(=C/C2=CC(=CC=C2)OC3=CC=CC=C3)/C#N	DPFAIDMMMKMGKQ-XMHGGMMESA-N
DG63444	1-(o-tolyl)-3-[(Z)-[phenyl(2-pyridyl)methylene]amino]thiourea	6148953	NSC668326; CHEMBL1987909; ZINC1642867; NSC-668326; 1-(o-tolyl)-3-[(Z)-[phenyl(2-pyridyl)methylene]amino]thiourea; (Z)-Phenyl(2-pyridinyl)methanone N-(2-methylphenyl)thiosemicarbazone; 1-[(E)-alpha-(2-Pyridinyl)benzylidene]-4-(2-methylphenyl)thiosemicarbazide; 1-[Phenyl(2-pyridinyl)methylene]-4-(2-methylphenyl)thiosemicarbazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668326	.	.	.	.	346.5	C20H18N4S	81.4	459	4.7	25	2	3	4	"InChI=1S/C20H18N4S/c1-15-9-5-6-12-17(15)22-20(25)24-23-19(16-10-3-2-4-11-16)18-13-7-8-14-21-18/h2-14H,1H3,(H2,22,24,25)/b23-19-"	CC1=CC=CC=C1NC(=S)N/N=C(/C2=CC=CC=C2)\\C3=CC=CC=N3	NFHQFZROVOSMPV-NMWGTECJSA-N
DG63445	"4-((2,4-Bis(hydroxy(oxido)amino)phenyl)hydrazono)-N-(3,4-dimethylphenyl)-7,7-dimethyl-6-oxooctanamide"	6150012	"NSC631689; CHEMBL1966291; ZINC16953520; AKOS024423434; NSC-631689; 4-(2-(2,4 dimethylphenyl)-7,7-dimethyl-6-oxo-octanamide; (4E)-N-(3,4-dimethylphenyl)-4-[(2,4-dinitrophenyl)hydrazono]-7,7-dimethyl-6-oxooctanamide; (4E)-N-(3,4-dimethylphenyl)-4-[(2,4-dinitrophenyl)hydrazono]-7,7-dimethyl-6-oxo-octanamide; 4-((2,4-Bis(hydroxy(oxido)amino)phenyl)hydrazono)-N-(3,4-dimethylphenyl)-7,7-dimethyl-6-oxooctanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631689	.	.	.	.	483.5	C24H29N5O6	162	813	5	35	2	8	9	"InChI=1S/C24H29N5O6/c1-15-6-7-17(12-16(15)2)25-23(31)11-8-18(13-22(30)24(3,4)5)26-27-20-10-9-19(28(32)33)14-21(20)29(34)35/h6-7,9-10,12,14,27H,8,11,13H2,1-5H3,(H,25,31)/b26-18+"	CC1=C(C=C(C=C1)NC(=O)CC/C(=N\\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/CC(=O)C(C)(C)C)C	NIPPLOVLPVYPFT-NLRVBDNBSA-N
DG63446	"(2E,4E,6Z,8E)-N-(4-methoxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide"	6153376	SCHEMBL9836219; NSC674930; NSC-674930	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674930	.	.	.	.	405.6	C27H35NO2	38.3	741	7.6	30	1	2	7	"InChI=1S/C27H35NO2/c1-20(12-17-25-22(3)11-8-18-27(25,4)5)9-7-10-21(2)19-26(29)28-23-13-15-24(30-6)16-14-23/h7,9-10,12-17,19H,8,11,18H2,1-6H3,(H,28,29)/b10-7+,17-12+,20-9-,21-19+"	CC1=C(C(CCC1)(C)C)/C=C/C(=C\\C=C\\C(=C\\C(=O)NC2=CC=C(C=C2)OC)\\C)/C	DBQHWMPFMCOGIW-HTEVJLBVSA-N
DG63447	"(E)-3-[2-(3-Methoxy-4-hydroxyphenyl)-3-(methoxycarbonyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]acrylic acid methyl ester"	6157056	"NSC677580; CHEMBL236124; SCHEMBL2791735; NSC674908; NSC674996; NSC687453; NSC-674908; NSC-674996; NSC-687453; (E)-3-[2-(3-Methoxy-4-hydroxyphenyl)-3-(methoxycarbonyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]acrylic acid methyl ester; 2-(3-Methoxy-4-hydroxyphenyl)-5-(3-oxo-3-methoxy-1-propenyl)-7-methoxy-2,3-dihydrobenzofuran-3-carboxylic acid methyl ester; 2-Propenoic acid,3-dihydro-2-(4-hydroxy- 3-methoxyphenyl)-7-methoxy-3-(methoxycarbonyl)- 5-benzofuranyl]-, methyl ester, racemic mixture of NSC 674908 and NSC 674996; Benzofuran-3-carboxylic acid,3-dihydro- 2-(4-hydroxy-3-methoxyphenyl)-7-methoxy- 5-(3-methoxy-3-oxo-1-propen-1-yl)-, methyl ester, enantiomer 2; methyl 2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-5-[(E)-3-methoxy-3-oxo-prop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylate; Methyl 2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-(3-methoxy-3-oxo-1-propenyl)-2,3-dihydro-1-benzofuran-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674908	.	.	.	.	414.4	C22H22O8	101	635	2.9	30	1	8	8	"InChI=1S/C22H22O8/c1-26-16-11-13(6-7-15(16)23)20-19(22(25)29-4)14-9-12(5-8-18(24)28-3)10-17(27-2)21(14)30-20/h5-11,19-20,23H,1-4H3/b8-5+"	COC1=CC(=CC2=C1OC(C2C(=O)OC)C3=CC(=C(C=C3)O)OC)/C=C/C(=O)OC	TUMXSJCAHHPAFR-VMPITWQZSA-N
DG63448	"N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3,4,5-trimethoxybenzamide"	6158638	MLS002920588; NSC143343; ZINC31717446; AKOS002919446; NSC-143343	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143343	.	.	.	.	357.4	C19H23N3O4	72.4	450	2.9	26	1	6	7	"InChI=1S/C19H23N3O4/c1-22(2)15-8-6-13(7-9-15)12-20-21-19(23)14-10-16(24-3)18(26-5)17(11-14)25-4/h6-12H,1-5H3,(H,21,23)/b20-12+"	CN(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=C(C(=C2)OC)OC)OC	FOIRZUYWMMVDEI-UDWIEESQSA-N
DG63449	"methyl (2E)-5,5-diphenyl-2,4-pentadienoate"	6163542	"NSC113053; SCHEMBL7555802; ZINC1704056; AKOS024332021; NSC-113053; J3.522.543I; methyl (2E)-5,5-diphenyl-2,4-pentadienoate; (E)-5,5-Diphenyl-2,4-pentadienoic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113053	.	.	.	.	264.3	C18H16O2	26.3	336	4.7	20	0	2	5	"InChI=1S/C18H16O2/c1-20-18(19)14-8-13-17(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14H,1H3/b14-8+"	COC(=O)/C=C/C=C(C1=CC=CC=C1)C2=CC=CC=C2	RXSQYCYZFXKHKU-RIYZIHGNSA-N
DG63450	"(5Z)-4-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-5-hydrazinylidene-piperidine-2,3,6-trione"	6165207	"NSC635424; CHEMBL1971054; NSC-635424; 4-(1,3-Benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-2,3,5,6-piperidinetetrone 3-hydrazone; (5Z)-4-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-5-hydrazinylidene-piperidine-2,3,6-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635424	.	.	.	.	392.4	C20H16N4O3S	134	712	4.1	28	1	7	2	"InChI=1S/C20H16N4O3S/c1-10-7-8-11(2)13(9-10)24-19(26)16(23-21)15(17(25)20(24)27)18-22-12-5-3-4-6-14(12)28-18/h3-9,15H,21H2,1-2H3/b23-16-"	CC1=CC(=C(C=C1)C)N2C(=O)/C(=N\\N)/C(C(=O)C2=O)C3=NC4=CC=CC=C4S3	JPZHGAYRICRIRF-KQWNVCNZSA-N
DG63451	"(E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-(4-nitrophenyl)prop-2-en-1-one"	6167610	NSC746353; NSC-746353	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746353	.	.	.	.	329.3	C21H15NO3	62.9	544	5.1	25	0	3	3	"InChI=1S/C21H15NO3/c23-20(13-6-14-4-10-17(11-5-14)22(24)25)18-12-9-16-8-7-15-2-1-3-19(18)21(15)16/h1-6,9-13H,7-8H2/b13-6+"	C1CC2=CC=C(C3=CC=CC1=C23)C(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-]	ADCCWUFZQPMPOJ-AWNIVKPZSA-N
DG63452	1-[(Z)-1-[6-[(Z)-C-methyl-N-(o-tolylcarbamothioylamino)carbonimidoyl]-2-pyridyl]ethylideneamino]-3-(o-tolyl)thiourea	6172220	"NSC668490; NSC-668490; 1,1'-[2,6-Pyridinediylbis(ethylidynenitrilo)]bis[3-(2-methylphenyl)thiourea]; 1-[(Z)-1-[6-[(Z)-C-methyl-N-(o-tolylcarbamothioylamino)carbonimidoyl]-2-pyridyl]ethylideneamino]-3-(o-tolyl)thiourea; Hydrazinecarbothioamide, 2,2'-[2,6-pyridinediyldi(1Z)ethylidyne]bis[N-(2-methylphenyl)-, (2Z,2'Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668490	.	.	.	.	489.7	C25H27N7S2	150	694	5.2	34	4	5	6	"InChI=1S/C25H27N7S2/c1-16-10-5-7-12-20(16)27-24(33)31-29-18(3)22-14-9-15-23(26-22)19(4)30-32-25(34)28-21-13-8-6-11-17(21)2/h5-15H,1-4H3,(H2,27,31,33)(H2,28,32,34)/b29-18-,30-19-"	CC1=CC=CC=C1NC(=S)N/N=C(/C)\\C2=NC(=CC=C2)/C(=N\\NC(=S)NC3=CC=CC=C3C)/C	AZAAMQZQWONCRQ-XLRODDBQSA-N
DG63453	"Hydrazinecarbothioamide,2'-(1,5-dimethyl-1,5-pentanediylidene)bis[N-methyl-"	6175310	"MLS002702075; 18667-26-0; CHEMBL2004271; NSC180198; ZINC17020374; NSC-180198; Hydrazinecarbothioamide,2'-(1,5-dimethyl-1,5-pentanediylidene)bis[N-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	180198	.	.	.	.	302.5	C11H22N6S2	137	330	0.9	19	4	4	6	"InChI=1S/C11H22N6S2/c1-8(14-16-10(18)12-3)6-5-7-9(2)15-17-11(19)13-4/h5-7H2,1-4H3,(H2,12,16,18)(H2,13,17,19)/b14-8-,15-9+"	C/C(=N\\NC(=S)NC)/CCC/C(=N\\NC(=S)NC)/C	IBBJVLJKTNANGK-DJJIWSAGSA-N
DG63454	"(E)-2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[4-(diethylamino)phenyl]prop-2-enenitrile"	6175750	NSC696923; CHEMBL2000059; NSC-696923	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696923	.	.	.	.	404.5	C22H28N8	107	693	3.2	30	1	8	6	"InChI=1S/C22H28N8/c1-6-29(7-2)18-10-8-16(9-11-18)12-17(14-23)19-25-20(24)27-21(26-19)30-22(4,5)13-15(3)28-30/h8-12H,6-7,13H2,1-5H3,(H2,24,25,26,27)/b17-12+"	CCN(CC)C1=CC=C(C=C1)/C=C(\\C#N)/C2=NC(=NC(=N2)N3C(CC(=N3)C)(C)C)N	HDKGKNKKYRTMRT-SFQUDFHCSA-N
DG63455	1-cyclohexyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]urea	6179448	NSC689539; CHEMBL2002116; NSC-689539; (E)-Phenyl(2-pyridinyl)methanone N-cyclohexylsemicarbazone; 1-cyclohexyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]urea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689539	.	.	.	.	322.4	C19H22N4O	66.4	425	4	24	2	3	4	"InChI=1S/C19H22N4O/c24-19(21-16-11-5-2-6-12-16)23-22-18(15-9-3-1-4-10-15)17-13-7-8-14-20-17/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H2,21,23,24)/b22-18+"	C1CCC(CC1)NC(=O)N/N=C(\\C2=CC=CC=C2)/C3=CC=CC=N3	KCJGZAKCBNMUIK-RELWKKBWSA-N
DG63456	(3E)-N'-(4-nitrophenyl)-3-[(4-nitrophenyl)hydrazinylidene]butanehydrazide	6180765	NSC158088; ZINC5159046; AKOS024381456; NSC-158088	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158088	.	.	.	.	372.34	C16H16N6O5	157	557	3.1	27	3	8	6	"InChI=1S/C16H16N6O5/c1-11(17-18-12-2-6-14(7-3-12)21(24)25)10-16(23)20-19-13-4-8-15(9-5-13)22(26)27/h2-9,18-19H,10H2,1H3,(H,20,23)/b17-11+"	C/C(=N\\NC1=CC=C(C=C1)[N+](=O)[O-])/CC(=O)NNC2=CC=C(C=C2)[N+](=O)[O-]	KHKMDZKMUZEDKN-GZTJUZNOSA-N
DG63457	"3-(3,5-Bis-trifluoromethyl-phenylsulfanyl)-1-(4-chloro-pheny l)-propenone"	6181983	"ZINC2389194; NSC735169; AKOS024378064; NSC-735169; 3-(3,5-Bis-trifluoromethyl-phenylsulfanyl)-1-(4-chloro-pheny l)-propenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735169	.	.	.	.	410.8	C17H9ClF6OS	42.4	488	6.3	26	0	8	4	"InChI=1S/C17H9ClF6OS/c18-13-3-1-10(2-4-13)15(25)5-6-26-14-8-11(16(19,20)21)7-12(9-14)17(22,23)24/h1-9H/b6-5+"	C1=CC(=CC=C1C(=O)/C=C/SC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl	ZJXHIUMSGGJZJZ-AATRIKPKSA-N
DG63458	methyl (E)-7-[2-[(E)-7-methoxy-7-oxo-hept-5-en-1-ynyl]phenyl]hept-2-en-6-ynoate	6182119	"NSC673597; CHEMBL1966895; NSC-673597; 7,7'-(1,2-Phenylene)bis[(E)-2-hepten-6-ynoic acid methyl] ester; 2-Hepten-6-ynoic acid, 7,7'-(1,2-phenylene)bis-, dimethyl ester, (2E,2'E)-; methyl (E)-7-[2-[(E)-7-methoxy-7-oxo-hept-5-en-1-ynyl]phenyl]hept-2-en-6-ynoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673597	.	.	.	.	350.4	C22H22O4	52.6	587	4.4	26	0	4	10	"InChI=1S/C22H22O4/c1-25-21(23)17-9-5-3-7-13-19-15-11-12-16-20(19)14-8-4-6-10-18-22(24)26-2/h9-12,15-18H,3-6H2,1-2H3/b17-9+,18-10+"	COC(=O)/C=C/CCC#CC1=CC=CC=C1C#CCC/C=C/C(=O)OC	AKYDCTYGZABMQP-BEQMOXJMSA-N
DG63459	(4Z)-4-benzylidene-5-chloro-N-(p-tolyl)imidazol-2-amine	6182120	NSC684379; (4Z)-4-benzylidene-5-chloro-N-(p-tolyl)imidazol-2-amine; 4-Benzylidene-5-chloro-N-(4-methylphenyl)-4H-imidazol-2-amine; N-(4-Benzylidene-5-chloro-4H-imidazol-2-yl)-N-(4-methylphenyl)amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684379	.	.	.	.	295.8	C17H14ClN3	36.8	453	4.4	21	1	1	3	"InChI=1S/C17H14ClN3/c1-12-7-9-14(10-8-12)19-17-20-15(16(18)21-17)11-13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20)/b15-11-"	CC1=CC=C(C=C1)NC2=N/C(=C\\C3=CC=CC=C3)/C(=N2)Cl	IEJNELASGAOHNB-PTNGSMBKSA-N
DG63460	"5-Morpholino-1,5-diphenyl-pent-1-en-3-one"	6184372	"NSC33570; MLS002639478; 6275-21-4; 5-morpholino-1,5-diphenyl-pent-1-en-3-one; 1-Penten-3-one,5-(4-morpholinyl)-1,5-diphenyl-; SMR001548922; (E)-5-morpholin-4-yl-1,5-diphenylpent-1-en-3-one; cid_234165; CHEMBL4297020; BDBM93917; NSC-33570; 5-morpholin-4-yl-1,5-diphenylpent-1-en-3-one; 5-(4-morpholinyl)-1,5-diphenyl-1-penten-3-one; 5-morpholin-4-yl-1,5-diphenyl-pent-1-en-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33570	.	.	.	.	321.4	C21H23NO2	29.5	402	3.2	24	0	3	6	"InChI=1S/C21H23NO2/c23-20(12-11-18-7-3-1-4-8-18)17-21(19-9-5-2-6-10-19)22-13-15-24-16-14-22/h1-12,21H,13-17H2/b12-11+"	C1COCCN1C(CC(=O)/C=C/C2=CC=CC=C2)C3=CC=CC=C3	YFPFQFKTAUHLTR-VAWYXSNFSA-N
DG63461	NSC685231	6184402	"N-[(E)-(2-ethoxy-3,17-dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene)amino]-4-methyl-benzenesulfonamide; NSC685231; N'-(2-Ethoxy-3,17-dihydroxyestra-1,3,5(10)-trien-6-ylidene)-4-methylbenzenesulfonohydrazide; N-[(E)-(2-ethoxy-3,17-dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene)amino]-4-methyl-benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685231	.	.	.	.	498.6	C27H34N2O5S	117	896	4.6	35	3	7	5	"InChI=1S/C27H34N2O5S/c1-4-34-25-15-19-18-11-12-27(3)22(9-10-26(27)31)20(18)13-23(21(19)14-24(25)30)28-29-35(32,33)17-7-5-16(2)6-8-17/h5-8,14-15,18,20,22,26,29-31H,4,9-13H2,1-3H3/b28-23+"	CCOC1=C(C=C2/C(=N/NS(=O)(=O)C3=CC=C(C=C3)C)/CC4C(C2=C1)CCC5(C4CCC5O)C)O	YEFYZUYMZYEVNF-WEMUOSSPSA-N
DG63462	"4-(2-(3,4-Dimethoxyphenyl)vinyl)quinoline"	6184681	"NSC64945; 4-(2-(3,4-Dimethoxyphenyl)vinyl)quinoline; 2878-63-9; NSC 64945; CHEMBL1978963; ZINC7491332; NSC-64945; 4-[(E)-3,4-Dimethoxystyryl]quinoline; NCGC00184053-01; NCGC00184053-02; 4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	64945	.	.	.	.	291.3	C19H17NO2	31.4	370	4.4	22	0	3	4	"InChI=1S/C19H17NO2/c1-21-18-10-8-14(13-19(18)22-2)7-9-15-11-12-20-17-6-4-3-5-16(15)17/h3-13H,1-2H3/b9-7+"	COC1=C(C=C(C=C1)/C=C/C2=CC=NC3=CC=CC=C23)OC	NFGZBGNIUGXLOT-VQHVLOKHSA-N
DG63463	"(E)-3-(2-chlorophenyl)-N-(8-nitro-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)prop-2-enamide"	6186725	"NSC636997; CHEMBL1994535; NSC-636997; (E)-3-(2-chlorophenyl)-N-(8-nitro-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)prop-2-enamide; 3-(2-Chlorophenyl)-N-(8-(hydroxy(oxido)amino)-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)acrylamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636997	.	.	.	.	370.8	C18H15ClN4O3	99.3	577	3	26	2	5	3	"InChI=1S/C18H15ClN4O3/c19-15-4-2-1-3-12(15)5-8-18(24)22-13-10-20-16-7-6-14(23(25)26)9-17(16)21-11-13/h1-10,13,21H,11H2,(H,22,24)/b8-5+"	C1C(C=NC2=C(N1)C=C(C=C2)[N+](=O)[O-])NC(=O)/C=C/C3=CC=CC=C3Cl	ZSBKLLNHGJSWKZ-VMPITWQZSA-N
DG63464	"1-(6-Methoxy-2-naphthyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one"	6214002	"MLS001173825; CHEMBL1530177; HMS2890K05; ZINC5128967; NSC729530; AKOS000991694; NSC-729530; SMR000595492; AR-685/43307765; 1-(6-methoxy-2-naphthyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729530	.	.	.	.	378.4	C23H22O5	54	519	4.8	28	0	5	7	"InChI=1S/C23H22O5/c1-25-19-9-8-16-13-18(7-6-17(16)14-19)20(24)10-5-15-11-21(26-2)23(28-4)22(12-15)27-3/h5-14H,1-4H3/b10-5+"	COC1=CC2=C(C=C1)C=C(C=C2)C(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC	IKVLEJHXISCRHT-BJMVGYQFSA-N
DG63465	"3,4-dichloro-N-[(E)-[(E)-1-phenylpent-1-en-3-ylidene]amino]aniline"	6244313	NSC382761; CHEMBL1982003; ZINC5664125; NSC-382761	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382761	.	.	.	.	319.2	C17H16Cl2N2	24.4	362	5.9	21	1	2	5	"InChI=1S/C17H16Cl2N2/c1-2-14(9-8-13-6-4-3-5-7-13)20-21-15-10-11-16(18)17(19)12-15/h3-12,21H,2H2,1H3/b9-8+,20-14+"	CC/C(=N\\NC1=CC(=C(C=C1)Cl)Cl)/C=C/C2=CC=CC=C2	LTTOUUHVKAYFKL-JWEYOLHDSA-N
DG63466	N-[(Z)-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]methylideneamino]pyridine-3-carboxamide	6252761	MLS002703643; ZINC1667953; NSC101490; NSC-101490; 16183-72-5	.	.	Investigative Drug(s)	Investigative	Small molecular drug	101490	.	.	.	.	399.7	C17H17Cl3N4O	57.6	432	3.7	25	1	4	8	"InChI=1S/C17H17Cl3N4O/c18-5-8-24(9-6-19)15-4-3-13(16(20)10-15)12-22-23-17(25)14-2-1-7-21-11-14/h1-4,7,10-12H,5-6,8-9H2,(H,23,25)/b22-12-"	C1=CC(=CN=C1)C(=O)N/N=C\\C2=C(C=C(C=C2)N(CCCl)CCCl)Cl	QSEQKPVQNFUNRE-UUYOSTAYSA-N
DG63467	"2-hydrazinyl-6-[(E)-2-phenylethenyl]cyclohepta-2,4,6-trien-1-one"	6267649	NSC101003; ZINC1662626; NSC-101003; 78463-41-9	.	.	Investigative Drug(s)	Investigative	Small molecular drug	101003	.	.	.	.	238.28	C15H14N2O	55.1	424	3.4	18	2	3	3	"InChI=1S/C15H14N2O/c16-17-14-8-4-7-13(11-15(14)18)10-9-12-5-2-1-3-6-12/h1-11H,16H2,(H,17,18)/b10-9+"	C1=CC=C(C=C1)/C=C/C2=CC(=O)C(=CC=C2)NN	SUNOPNYHLKRKHR-MDZDMXLPSA-N
DG63468	"Malononitrile, (beta-pentylcinnamylidene)-"	6271803	"NSC15078; ZINC1706690; NSC-15078; Malononitrile, (.beta.-pentylcinnamylidene)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15078	.	.	.	.	250.34	C17H18N2	47.6	401	5.3	19	0	2	6	"InChI=1S/C17H18N2/c1-2-3-5-10-16(12-17(13-18)14-19)11-15-8-6-4-7-9-15/h4,6-9,11-12H,2-3,5,10H2,1H3/b16-11-"	CCCCC/C(=C/C1=CC=CC=C1)/C=C(C#N)C#N	XQOBTXSDVOTDQI-WJDWOHSUSA-N
DG63469	"Diethyl 2-amino-6-styryl-1,3-azulenedicarboxylate"	6277557	"NSC647065; Diethyl 2-amino-6-styryl-1,3-azulenedicarboxylate; CHEMBL1987559; NSC-647065; Diethyl 2-amino-6-(2-phenylvinyl)-1,3-azulenedicarboxylate; diethyl 2-amino-6-[(E)-styryl]azulene-1,3-dicarboxylate; 2-Amino-6-(2-phenylethenyl)azulene-1,3-dicarboxylic acid diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647065	.	.	.	.	389.4	C24H23NO4	78.6	547	5.5	29	1	5	8	"InChI=1S/C24H23NO4/c1-3-28-23(26)20-18-14-12-17(11-10-16-8-6-5-7-9-16)13-15-19(18)21(22(20)25)24(27)29-4-2/h5-15H,3-4,25H2,1-2H3/b11-10+"	CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)/C=C/C3=CC=CC=C3	DMEOGIXCUSGPEG-ZHACJKMWSA-N
DG63470	"Diethyl 2-amino-6-[2-(2-pyridyl)vinyl]-1,3-azulenedicarboxylate"	6277558	"NSC647066; CHEMBL1965857; Diethyl 2-amino-6-[2-(2-pyridyl)vinyl]-1,3-azulenedicarboxylate; NSC-647066; Diethyl {2-amino-6-[2-(2-pyridyl)vinyl]-1,3-azulenedicarboxylate}; Diethyl 2-amino-6-(2-(2-pyridinyl)vinyl)-1,3-azulenedicarboxylate; diethyl 2-amino-6-[(E)-2-(2-pyridyl)vinyl]azulene-1,3-dicarboxylate; 2-Amino-6-[2-(2-pyridinyl)ethenyl]azulene-1,3-dicarboxylic acid diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647066	.	.	.	.	390.4	C23H22N2O4	91.5	557	4.5	29	1	6	8	"InChI=1S/C23H22N2O4/c1-3-28-22(26)19-17-12-9-15(8-11-16-7-5-6-14-25-16)10-13-18(17)20(21(19)24)23(27)29-4-2/h5-14H,3-4,24H2,1-2H3/b11-8+"	CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)/C=C/C3=CC=CC=N3	CSDWCMACKYCMES-DHZHZOJOSA-N
DG63471	"Diethyl 2-amino-6[2-(methoxycarbonyl)vinyl]-1,3-azulene-dicarboxylate"	6277559	"NSC647067; CHEMBL1988711; ZINC1630286; Diethyl 2-amino-6[2-(methoxycarbonyl)vinyl]-1,3-azulene- dicarboxylate; NSC-647067; Diethyl {2-amino-6[2-(methoxycarbonyl)vinyl]-1,3-azulene-} dicarboxylate; Diethyl 2-amino-6-(3-methoxy-3-oxo-1-propenyl)-1,3-azulenedicarboxylate; 2-Amino-6-[2-(methoxycarbonyl)ethenyl]azulene-1,3-dicarboxylic acid diethyl ester; diethyl 2-amino-6-[(E)-3-methoxy-3-oxo-prop-1-enyl]azulene-1,3-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647067	.	.	.	.	371.4	C20H21NO6	105	539	3.5	27	1	7	9	"InChI=1S/C20H21NO6/c1-4-26-19(23)16-13-9-6-12(8-11-15(22)25-3)7-10-14(13)17(18(16)21)20(24)27-5-2/h6-11H,4-5,21H2,1-3H3/b11-8+"	CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)/C=C/C(=O)OC	DPWBJODWONDKNU-DHZHZOJOSA-N
DG63472	1-[(Z)-naphthalen-2-ylmethylideneamino]-3-(4-nitrophenyl)urea	6279232	NSC691665; CHEMBL2006028; NSC-691665	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691665	.	.	.	.	334.3	C18H14N4O3	99.3	497	3.6	25	2	4	3	"InChI=1S/C18H14N4O3/c23-18(20-16-7-9-17(10-8-16)22(24)25)21-19-12-13-5-6-14-3-1-2-4-15(14)11-13/h1-12H,(H2,20,21,23)/b19-12-"	C1=CC=C2C=C(C=CC2=C1)/C=N\\NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]	GIMIOKCHAJQOGI-UNOMPAQXSA-N
DG63473	"(3Z)-5-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one"	6279389	"MLS002701997; SMR001565574; NSC134544; CHEMBL1736441; BDBM91410; cid_6279389; ZINC1721272; (3Z)-5-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one; AKOS005145097; NSC-134544; (3Z)-5-methoxy-3-(3,4,5-trimethoxybenzylidene)oxindole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134544	.	.	.	.	341.4	C19H19NO5	66	494	2.8	25	1	5	5	"InChI=1S/C19H19NO5/c1-22-12-5-6-15-13(10-12)14(19(21)20-15)7-11-8-16(23-2)18(25-4)17(9-11)24-3/h5-10H,1-4H3,(H,20,21)/b14-7-"	COC1=CC\\2=C(C=C1)NC(=O)/C2=C\\C3=CC(=C(C(=C3)OC)OC)OC	WAFGRZZHFYLTPQ-AUWJEWJLSA-N
DG63474	"(8E)-4-(2,3,4-trimethoxyphenyl)-8-[(2,3,4-trimethoxyphenyl)methylene]-4,5-dihydro-3H-thiopyrano[4,3-d]pyrimidine-2-thiol"	6280003	"NSC670057; CHEMBL1997076; NSC-670057; (8E)-4-(2,3,4-trimethoxyphenyl)-8-[(2,3,4-trimethoxyphenyl)methylene]-4,5-dihydro-3H-thiopyrano[4,3-d]pyrimidine-2-thiol; 4H-Thiopyrano[4,3-d]pyrimidine-2-thiol, 3,5,7,8-tetrahydro-4-(2,3,4-trimethoxyphenyl)-8-[(2,3,4-trimethoxyphenyl)methylene]-, (8E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670057	.	.	.	.	530.7	C26H30N2O6S2	137	839	3	36	2	8	8	"InChI=1S/C26H30N2O6S2/c1-29-18-9-7-14(22(31-3)24(18)33-5)11-15-12-36-13-17-20(15)27-26(35)28-21(17)16-8-10-19(30-2)25(34-6)23(16)32-4/h7-11,21H,12-13H2,1-6H3,(H2,27,28,35)/b15-11-"	COC1=C(C(=C(C=C1)/C=C\\2/CSCC3=C2NC(=S)NC3C4=C(C(=C(C=C4)OC)OC)OC)OC)OC	VRBDISWSXFESPU-PTNGSMBKSA-N
DG63475	(E)-3-[4-[bis(2-bromoethyl)amino]phenyl]-2-cyanoprop-2-enamide	6282616	"MLS002701921; SMR001565505; NSC81767; CHEMBL1713017; BDBM89485; cid_6282616; (E)-3-[4-[bis(2-bromoethyl)amino]phenyl]-2-cyanoprop-2-enamide; ZINC2036241; NSC-81767; Cinnamamide, p-[bis(2-bromoethyl)amino]-.alpha.-cyano-; (E)-3-[4-[bis(2-bromoethyl)amino]phenyl]-2-cyano-acrylamide; 2-Propenamide, 3-[4-[bis(2-bromoethyl)amino]phenyl]-2-cyano-; (E)-3-[4-[bis(2-bromoethyl)amino]phenyl]-2-cyano-2-propenamide; (E)-3-[4-[bis(2-bromoethyl)amino]phenyl]-2-cyano-prop-2-enamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	81767	.	.	.	.	401.1	C14H15Br2N3O	70.1	389	3.2	20	1	3	7	"InChI=1S/C14H15Br2N3O/c15-5-7-19(8-6-16)13-3-1-11(2-4-13)9-12(10-17)14(18)20/h1-4,9H,5-8H2,(H2,18,20)/b12-9+"	C1=CC(=CC=C1/C=C(\\C#N)/C(=O)N)N(CCBr)CCBr	IWRUKTCHUSSIEY-FMIVXFBMSA-N
DG63476	3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]-2-[(E)-styryl]thiazolidin-4-one	6283154	"NSC674560; CHEMBL1998768; NSC-674560; 3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]-2-[(E)-styryl]thiazolidin-4-one; 3-(4'-(4-Oxo-2-(2-phenylvinyl)-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674560	.	.	.	.	577.7	C37H27N3O2S	78.3	1030	7.8	43	0	4	6	"InChI=1S/C37H27N3O2S/c41-34-25-43-35(24-15-26-9-3-1-4-10-26)39(34)30-20-16-27(17-21-30)28-18-22-31(23-19-28)40-36(29-11-5-2-6-12-29)38-33-14-8-7-13-32(33)37(40)42/h1-24,35H,25H2/b24-15+"	C1C(=O)N(C(S1)/C=C/C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7	OEFHCAWGRLRQHL-BUVRLJJBSA-N
DG63477	"(1E,4E)-1-(2-hydroxyphenyl)-5-(2-methoxyphenyl)penta-1,4-dien-3-one"	6284052	"NSC98938; MLS000737201; NSC-98938; CHEMBL1939691; HMS2860N13; ZINC1653723; (1E,4E)-1-(2-hydroxyphenyl)-5-(2-methoxyphenyl)penta-1,4-dien-3-one; SMR000528462; 1-(2-Hydroxyphenyl)-5-(2-methoxyphenyl)-1,4-pentadien-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98938	.	.	.	.	280.3	C18H16O3	46.5	386	3.7	21	1	3	5	"InChI=1S/C18H16O3/c1-21-18-9-5-3-7-15(18)11-13-16(19)12-10-14-6-2-4-8-17(14)20/h2-13,20H,1H3/b12-10+,13-11+"	COC1=CC=CC=C1/C=C/C(=O)/C=C/C2=CC=CC=C2O	RNDFIDUOVAGOQF-DCIPZJNNSA-N
DG63478	"5-(3-oxo-but-1-enyl)-1H-pyrimidine-2,4-dione"	6284909	"NSC207111; 5-(3-oxo-but-1-enyl)-1H-pyrimidine-2,4-dione; 130749-68-7; 57412-57-4; CHEMBL1979028; SCHEMBL14405088; DTXSID60422345; ZINC1742622; NSC-207111"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	207111	.	.	.	.	180.16	C8H8N2O3	75.3	328	-0.9	13	2	3	2	"InChI=1S/C8H8N2O3/c1-5(11)2-3-6-4-9-8(13)10-7(6)12/h2-4H,1H3,(H2,9,10,12,13)/b3-2+"	CC(=O)/C=C/C1=CNC(=O)NC1=O	ROAAEOJUCDTGGM-NSCUHMNNSA-N
DG63479	methyl 5-methyl-2-[(E)-(7-methyl-1-oxo-indan-2-ylidene)methyl]benzoate	6284987	"NSC678362; CHEMBL1972702; NSC-678362; methyl 5-methyl-2-[(E)-(7-methyl-1-oxo-indan-2-ylidene)methyl]benzoate; Methyl 5-methyl-2-((7-methyl-1-oxo-1,3-dihydro-2H-inden-2-ylidene)methyl)benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678362	.	.	.	.	306.4	C20H18O3	43.4	507	4.4	23	0	3	3	"InChI=1S/C20H18O3/c1-12-7-8-14(17(9-12)20(22)23-3)10-16-11-15-6-4-5-13(2)18(15)19(16)21/h4-10H,11H2,1-3H3/b16-10+"	CC1=CC(=C(C=C1)/C=C/2\\CC3=CC=CC(=C3C2=O)C)C(=O)OC	ZMKHKBRWKUUWPL-MHWRWJLKSA-N
DG63480	NSC635541	6285462	"2-hydroxy-N-[(Z)-[1-[(2-isopropylphenyl)carbamoyl]-3-(3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-3-oxo-propylidene]amino]benzamide; NSC635541; CHEMBL1988340; NSC-635541; 2-hydroxy-N-[(Z)-[1-[(2-isopropylphenyl)carbamoyl]-3-(3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-3-oxo-propylidene]amino]benzamide; 4-(1,4-Dihydroxy-3-methyl-15,45-quinoxalin-2-yl)-2-((2-hydroxybenzoyl)hydrazono)-N-(2-isopropylphenyl)-4-oxobutanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635541	.	.	.	.	541.6	C29H27N5O6	154	1060	4.5	40	3	8	8	"InChI=1S/C29H27N5O6/c1-17(2)19-10-4-6-12-21(19)30-29(38)22(31-32-28(37)20-11-5-9-15-25(20)35)16-26(36)27-18(3)33(39)23-13-7-8-14-24(23)34(27)40/h4-15,17,35H,16H2,1-3H3,(H,30,38)(H,32,37)/b31-22-"	CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C/C(=N/NC(=O)C3=CC=CC=C3O)/C(=O)NC4=CC=CC=C4C(C)C	BHNKDQSVLUEXQV-VAMRJTSQSA-N
DG63481	"(Z)-N-(oxiran-2-ylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine"	6288461	NSC622930; CHEMBL1998348; NSC-622930	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622930	.	.	.	.	231.29	C14H17NO2	34.1	290	2.8	17	0	3	3	"InChI=1S/C14H17NO2/c1-3-7-13-11(5-1)6-2-4-8-14(13)15-17-10-12-9-16-12/h1,3,5,7,12H,2,4,6,8-10H2/b15-14-"	C1CC/C(=N/OCC2CO2)/C3=CC=CC=C3C1	LTMIGQKLRCCGLK-PFONDFGASA-N
DG63482	(E)-(2-Pyrimidinyl)phenyl ketone (2-pyridyl)hydrazone	6289386	NSC693625; CHEMBL1975397; NSC-693625; (E)-(2-Pyrimidinyl)phenyl ketone (2-pyridyl)hydrazone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693625	.	.	.	.	275.31	C16H13N5	63.1	332	3.3	21	1	5	4	"InChI=1S/C16H13N5/c1-2-7-13(8-3-1)15(16-18-11-6-12-19-16)21-20-14-9-4-5-10-17-14/h1-12H,(H,17,20)/b21-15-"	C1=CC=C(C=C1)/C(=N/NC2=CC=CC=N2)/C3=NC=CC=N3	CZVLTCSZUVREJN-QNGOZBTKSA-N
DG63483	[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate	6290176	NSC689964; CHEMBL7809; ZINC3985979; [4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate; AKOS002722402; NSC-689964; 1-(4-cinnamoyloxyphenyl)-3-(4'-chlorophenyl)-2-propen-1-one; 3-Phenylacrylic acid 4-[1-oxo-3-(4-chlorophenyl)-2-propenyl]phenyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689964	.	.	.	.	388.8	C24H17ClO3	43.4	560	6.2	28	0	3	7	"InChI=1S/C24H17ClO3/c25-21-12-6-19(7-13-21)8-16-23(26)20-10-14-22(15-11-20)28-24(27)17-9-18-4-2-1-3-5-18/h1-17H/b16-8+,17-9+"	C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)Cl	USUVUSDICXDFMW-GONBZBRSSA-N
DG63484	"(2E)-3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)prop-2-en-1-one"	6290868	"(2E)-3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)prop-2-en-1-one; 918826-15-0; NSC640528; (E)-3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)prop-2-en-1-one; 79325-08-9; 2-PROPEN-1-ONE, 3-(4-CHLOROPHENYL)-1-(3,4-DICHLOROPHENYL)-; 3',4,4'-Trichlorochalcone; 2-Propen-1-one, 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-, (2E)-; CHEMBL2001858; ZINC6512008; MFCD05861283; AKOS015993364; 7J-621S; NSC-640528"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640528	.	.	.	.	311.6	C15H9Cl3O	17.1	334	5.6	19	0	1	3	InChI=1S/C15H9Cl3O/c16-12-5-1-10(2-6-12)3-8-15(19)11-4-7-13(17)14(18)9-11/h1-9H/b8-3+	C1=CC(=CC=C1/C=C/C(=O)C2=CC(=C(C=C2)Cl)Cl)Cl	WVBCDPQRDWBQMN-FPYGCLRLSA-N
DG63485	"5,5-Dimethyl-2-(3-oxo-5-phenyl-4-pentenyl)-1,3-cyclohexanedione"	6291329	"NSC649814; CHEMBL1980828; ZINC102920178; NSC-649814; 5,5-Dimethyl-2-(3-oxo-5-phenyl-4-pentenyl)-1,3-cyclohexanedione; 5,5-dimethyl-2-[(E)-3-oxo-5-phenyl-pent-4-enyl]cyclohexane-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649814	.	.	.	.	298.4	C19H22O3	51.2	447	2.9	22	0	3	5	"InChI=1S/C19H22O3/c1-19(2)12-17(21)16(18(22)13-19)11-10-15(20)9-8-14-6-4-3-5-7-14/h3-9,16H,10-13H2,1-2H3/b9-8+"	CC1(CC(=O)C(C(=O)C1)CCC(=O)/C=C/C2=CC=CC=C2)C	IPJMVZXOKIXITO-CMDGGOBGSA-N
DG63486	3-[(4Z)-4-[(3-chlorophenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one	6296347	"NSC657363; ZINC5851482; NSC-657363; 3-(4-(3-Chlorobenzylidene)-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl)-2-phenyl-4(3H)-quinazolinone; 3-[(4Z)-4-[(3-chlorophenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657363	.	.	.	.	502.9	C30H19ClN4O2	65.3	978	6.3	37	0	4	3	InChI=1S/C30H19ClN4O2/c31-23-15-9-10-20(18-23)19-26-30(37)35(28(33-26)22-13-5-2-6-14-22)34-27(21-11-3-1-4-12-21)32-25-17-8-7-16-24(25)29(34)36/h1-19H/b26-19-	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N4C(=N/C(=C\\C5=CC(=CC=C5)Cl)/C4=O)C6=CC=CC=C6	CWRYGBUNNYNGAO-XHPQRKPJSA-N
DG63487	Chalcone analog	6296717	CHALCONE ANALOG; CHEMBL1974577; NSC-331935	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687160	.	.	.	.	388.4	C24H20O5	54	556	4.9	29	0	5	7	"InChI=1S/C24H20O5/c1-26-19-9-10-20(23(14-19)27-15-18-5-3-2-4-6-18)21(25)11-7-17-8-12-22-24(13-17)29-16-28-22/h2-14H,15-16H2,1H3/b11-7+"	COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4	ASBHMHPBHPYMIS-YRNVUSSQSA-N
DG63488	((1-Benzyl-1H-benzimidazol-2-yl)hydrazono)(4-methoxyphenyl)acetic acid	6297144	NSC679198; CHEMBL2001420; NSC-679198; ((1-Benzyl-1H-benzimidazol-2-yl)hydrazono)(4-methoxyphenyl)acetic acid; (2Z)-2-[(1-benzylbenzimidazol-2-yl)hydrazono]-2-(4-methoxyphenyl)acetic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679198	.	.	.	.	400.4	C23H20N4O3	88.7	599	5.5	30	2	6	7	"InChI=1S/C23H20N4O3/c1-30-18-13-11-17(12-14-18)21(22(28)29)25-26-23-24-19-9-5-6-10-20(19)27(23)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,24,26)(H,28,29)/b25-21-"	COC1=CC=C(C=C1)/C(=N/NC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)/C(=O)O	NUYWXJHDVSRKJI-DAFNUICNSA-N
DG63489	"1-methoxy-2-[(E)-2-[5-(2-methoxyphenyl)-2,6-dimethylcyclohexen-1-yl]ethenyl]benzene"	6299360	NSC338005; NSC-338005	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338005	.	.	.	.	348.5	C24H28O2	18.5	506	5.7	26	0	2	5	"InChI=1S/C24H28O2/c1-17-13-15-21(22-10-6-8-12-24(22)26-4)18(2)20(17)16-14-19-9-5-7-11-23(19)25-3/h5-12,14,16,18,21H,13,15H2,1-4H3/b16-14+"	CC1C(CCC(=C1/C=C/C2=CC=CC=C2OC)C)C3=CC=CC=C3OC	TVPBJULSXPLFIN-JQIJEIRASA-N
DG63490	"4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline"	6300604	MLS000766163; SMR000528639; CHEMBL1982477; HMS2875N21; NSC151888; ZINC13146919; NSC-151888	.	.	Investigative Drug(s)	Investigative	Small molecular drug	151888	.	.	.	.	374.5	C25H30N2O	25.4	452	6.7	28	0	3	9	"InChI=1S/C25H30N2O/c1-4-17-27(18-5-2)23-13-8-20(9-14-23)7-11-22-12-10-21-19-24(28-6-3)15-16-25(21)26-22/h7-16,19H,4-6,17-18H2,1-3H3/b11-7+"	CCCN(CCC)C1=CC=C(C=C1)/C=C/C2=NC3=C(C=C2)C=C(C=C3)OCC	BAXMFOTYCJGOCE-YRNVUSSQSA-N
DG63491	NSC640552	6302566	"N,N'-bis[5-[(E)-3-[4-[(E)-3-(2-amino-4-methyl-thiazol-5-yl)-3-oxo-prop-1-enyl]phenyl]prop-2-enoyl]-4-methyl-thiazol-2-yl]decanediamide; NSC640552; CHEMBL1979789; NSC-640552; Decanedioic acid bis-{[5-(3-{4-[3-(2-amino-4-methyl-thiazol-5-yl)-3-oxo-propenyl]-phenyl}-acryloyl)-4-methyl-thiazol-2-yl]-amide}; N,N'-bis[5-[(E)-3-[4-[(E)-3-(2-amino-4-methyl-thiazol-5-yl)-3-oxo-prop-1-enyl]phenyl]prop-2-enoyl]-4-methyl-thiazol-2-yl]decanediamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640552	.	.	.	.	987.2	C50H50N8O6S4	343	1720	10.8	68	4	16	23	"InChI=1S/C50H50N8O6S4/c1-29-43(65-47(51)53-29)37(59)25-21-33-13-17-35(18-14-33)23-27-39(61)45-31(3)55-49(67-45)57-41(63)11-9-7-5-6-8-10-12-42(64)58-50-56-32(4)46(68-50)40(62)28-24-36-19-15-34(16-20-36)22-26-38(60)44-30(2)54-48(52)66-44/h13-28H,5-12H2,1-4H3,(H2,51,53)(H2,52,54)(H,55,57,63)(H,56,58,64)/b25-21+,26-22+,27-23+,28-24+"	CC1=C(SC(=N1)N)C(=O)/C=C/C2=CC=C(C=C2)/C=C/C(=O)C3=C(N=C(S3)NC(=O)CCCCCCCCC(=O)NC4=NC(=C(S4)C(=O)/C=C/C5=CC=C(C=C5)/C=C/C(=O)C6=C(N=C(S6)N)C)C)C	MBHOKZRKWPPWNL-OBCUGYALSA-N
DG63492	ethyl N-hydroxy-N-[4-[(E)-2-phenylethenyl]phenyl]carbamate	6304618	NSC112960; ZINC1703974; NSC-112960	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112960	.	.	.	.	283.32	C17H17NO3	49.8	342	3.8	21	1	3	5	"InChI=1S/C17H17NO3/c1-2-21-17(19)18(20)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-13,20H,2H2,1H3/b9-8+"	CCOC(=O)N(C1=CC=C(C=C1)/C=C/C2=CC=CC=C2)O	BRVVBAZNCCXLPO-CMDGGOBGSA-N
DG63493	"3-(2-(4-Fluorophenyl)vinyl)-6-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one"	6306698	"NSC633112; 3-(2-(4-Fluorophenyl)vinyl)-6-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one; 3-[2-(4-Fluorophenyl)vinyl]-6-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one; CHEMBL1990981; NSC-633112; 3-[(E)-2-(4-fluorophenyl)vinyl]-6-methyl-4-phenyl-isoxazolo[3,4-d]pyridazin-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633112	.	.	.	.	347.3	C20H14FN3O2	58.7	580	4	26	0	5	3	"InChI=1S/C20H14FN3O2/c1-24-20(25)19-17(18(22-24)14-5-3-2-4-6-14)16(26-23-19)12-9-13-7-10-15(21)11-8-13/h2-12H,1H3/b12-9+"	CN1C(=O)C2=NOC(=C2C(=N1)C3=CC=CC=C3)/C=C/C4=CC=C(C=C4)F	YOXOBFDMQQBELS-FMIVXFBMSA-N
DG63494	"2-(3,4-Dimethoxyphenyl)-5-(3-oxo-3-methoxy-1-propenyl)-7-methoxy-2,3-dihydrobenzofuran-3-carboxylic acid methyl ester"	6306752	"SCHEMBL3263433; CHEMBL1977166; NSC674997; NSC674998; NSC-674997; NSC-674998; 2-(3,4-Dimethoxyphenyl)-5-(3-oxo-3-methoxy-1-propenyl)-7-methoxy-2,3-dihydrobenzofuran-3-carboxylic acid methyl ester; Benzofuran-3-carboxylic acid,3-dihydro- 7-methoxy-5-(3-methoxy-3-oxo-1-propen-1-yl)- 2-(3,4-dimethoxyphenyl)-, methyl ester, enantiomer 2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674998	.	.	.	.	428.4	C23H24O8	89.5	650	3.2	31	0	8	9	"InChI=1S/C23H24O8/c1-26-16-8-7-14(12-17(16)27-2)21-20(23(25)30-5)15-10-13(6-9-19(24)29-4)11-18(28-3)22(15)31-21/h6-12,20-21H,1-5H3/b9-6+"	COC1=C(C=C(C=C1)C2C(C3=C(O2)C(=CC(=C3)/C=C/C(=O)OC)OC)C(=O)OC)OC	PSIYZHFYCJVWJB-RMKNXTFCSA-N
DG63495	"4H-Thiopyran-4-one,5-bis(p-methoxybenzylidene)-, 1,1-dioxide"	6310035	"MLS002920620; NSC144302; CHEMBL3410527; ZINC8642386; NSC-144302; 4H-Thiopyran-4-one,5-bis(p-methoxybenzylidene)-, 1,1-dioxide; 61448-81-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144302	.	.	.	.	384.4	C21H20O5S	78	633	2.9	27	0	5	4	"InChI=1S/C21H20O5S/c1-25-19-7-3-15(4-8-19)11-17-13-27(23,24)14-18(21(17)22)12-16-5-9-20(26-2)10-6-16/h3-12H,13-14H2,1-2H3/b17-11+,18-12+"	COC1=CC=C(C=C1)/C=C\\2/C(=O)/C(=C/C3=CC=C(C=C3)OC)/CS(=O)(=O)C2	NXXRLIAVYCJUJL-JYFOCSDGSA-N
DG63496	"1-(2-Furyl)-5-phenylpenta-2,4-diene-1-one"	6310903	"1-(2-Furyl)-5-phenylpenta-2,4-diene-1-one; MLS000757041; (2E,4E)-1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one; 4280-90-4; NSC308819; CHEMBL3193372; HMS2886M03; ZINC1568776; NSC-308819; SMR000528905; (2E,4E)-5-Phenyl-1-(2-furanyl)-2,4-pentadien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	308819	.	.	.	.	224.25	C15H12O2	30.2	298	3.7	17	0	2	4	"InChI=1S/C15H12O2/c16-14(15-11-6-12-17-15)10-5-4-9-13-7-2-1-3-8-13/h1-12H/b9-4+,10-5+"	C1=CC=C(C=C1)/C=C/C=C/C(=O)C2=CC=CO2	WGZYMAVQZOPSBA-LUZURFALSA-N
DG63497	"2,2',4,4',6,6'-Hexamethoxychalcone"	6312440	"2,2',4,4',6,6'-Hexamethoxychalcone; CHEMBL429864; SCHEMBL4446386; NSC750050; NSC-750050"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750050	.	.	.	.	388.4	C21H24O7	72.4	481	3.5	28	0	7	9	"InChI=1S/C21H24O7/c1-23-13-9-17(25-3)15(18(10-13)26-4)7-8-16(22)21-19(27-5)11-14(24-2)12-20(21)28-6/h7-12H,1-6H3/b8-7+"	COC1=CC(=C(C(=C1)OC)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)OC)OC	WPEIVYGKGRTWQT-BQYQJAHWSA-N
DG63498	1-hydroxypyridine-2-thione;1-hydroxy-3H-pyridin-1-ium-2-thione;zinc	6327770	1-hydroxypyridine-2-thione;1-hydroxy-3H-pyridin-1-ium-2-thione;zinc; SPBio_000963; Spectrum_001006; Spectrum2_000962; Spectrum3_000403; Spectrum4_000523; Spectrum5_000941; BSPBio_001926; KBioGR_001125; KBioSS_001486; DivK1c_000344; SPECTRUM1500260; HMS501B06; KBio1_000344; KBio2_001486; KBio2_004054; KBio2_006622; KBio3_001146; NINDS_000344; HMS1920I12; HMS2091O20; Pharmakon1600-01500260; CCG-38545; NSC756731; NSC-756731; IDI1_000344; NCGC00094659-01; NCGC00094659-02; NCGC00178905-01; SBI-0051355.P003; JH0033863; AB00051975_02; SR-05000001926; SR-05000001926-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756731	.	.	.	.	320.7	C10H11N2O2S2Zn+	111	417	.	17	2	4	0	"InChI=1S/C5H6NOS.C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h1-2,4,7H,3H2;1-4,7H;/q+1;;"	C1C=CC=[N+](C1=S)O.C1=CC(=S)N(C=C1)O.[Zn]	BSRFMRZGMWYJEK-UHFFFAOYSA-N
DG63499	4-amino-1-methyl-1H-imidazole-5-carboselenoamide	6327894	CHEBI:85619; NSC205357; CHEMBL1981315; NSC-205357; NCI60_001729; 4-amino-1-methyl-1H-imidazole-5-carboselenoamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	205357	.	.	.	.	202.11	C5H7N4Se	67.7	149	.	10	2	3	1	"InChI=1S/C5H7N4Se/c1-9-2-8-4(6)3(9)5(7)10/h2,7H,6H2,1H3"	CN1C=NC(=C1C(=N)[Se])N	SMYADAJBJIXZHB-UHFFFAOYSA-N
DG63500	5-Amino-1-methyl-1H-imidazole-4-carboselenoamide	6327958	NSC251219; CHEMBL1984977; NSC-251219; NCI60_002004; 5-AMINO-1-METHYL-1H-IMIDAZOLE-4-CARBOSELENOAMIDE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	251219	.	.	.	.	202.11	C5H7N4Se	67.7	149	.	10	2	3	1	"InChI=1S/C5H7N4Se/c1-9-2-8-3(4(9)6)5(7)10/h2,7H,6H2,1H3"	CN1C=NC(=C1N)C(=N)[Se]	LIPTURHETALGSL-UHFFFAOYSA-N
DG63501	Triphenylplumbanol	6328765	LEAD TRIPHENYL HYDROXIDE; NSC629928; triphenylplumbanol; Triphenylplumbane hydrate; LEADTRIPHENYLHYDROXIDE; TRIPHENYL LEAD HYDROXIDE; triphenyllead hydroxide; hydroxy(triphenyl)plumbane; NSC-629928; NCI60_009741	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629928	.	.	.	.	456	C18H17OPb	1	207	.	20	1	1	3	InChI=1S/3C6H5.H2O.Pb/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;	C1=CC=C(C=C1)[Pb](C2=CC=CC=C2)C3=CC=CC=C3.O	NVXIRLZJUXDBQO-UHFFFAOYSA-N
DG63502	3-methyl-7-(trifluoromethyl)-5H-phenophosphazinine 10-oxide	6328833	"NSC666486; CHEMBL1987918; NSC-666486; NCI60_023147; 3-methyl-7-(trifluoromethyl)-5H-phenophosphazinine 10-oxide; 3-Methyl-7-(trifluoromethyl)-5,10-dihydrophenophosphazine 10-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666486	.	.	.	.	296.2	C14H10F3NOP+	32.9	400	3.3	20	1	4	0	"InChI=1S/C14H10F3NOP/c1-8-2-4-12-10(6-8)18-11-7-9(14(15,16)17)3-5-13(11)20(12)19/h2-7H,1H3,(H,18,19)/q+1"	CC1=CC2=C(C=C1)[P+](=O)C3=C(N2)C=C(C=C3)C(F)(F)F	DETZBFYBBKBOTO-UHFFFAOYSA-N
DG63503	"Guanosine, 6-seleno-"	6330249	"NSC-137679; Guanosine, 6-seleno-; DTXSID70951939; NSC137679; FT-0771713; 2-Imino-9-pentofuranosyl-3,9-dihydro-2H-purine-6-selenol; 9H-Purin-6(1H)-one, 2-amino-9-.beta.-D-ribofuranosyl-6-seleno-; 9H-Purine-6(1H)-one, 2-amino-9-.beta.-D-ribofuranosyl-6-seleno-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	137679	.	.	.	.	345.2	C10H12N5O4Se	140	367	.	20	4	8	2	"InChI=1S/C10H12N5O4Se/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H2,11,13,14)"	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2[Se])N	GAJOUJZKZWZVPT-UHFFFAOYSA-N
DG63504	"4,4-dimethylspiro[1,3,2-oxazaphospholidin-2-ium-2,2'-3H-1,3,2-benzoxazaphosphol-2-ium]-5-one"	6330525	NSC351866; CHEMBL1971263; NSC-351866; NCI60_003147	.	.	Investigative Drug(s)	Investigative	Small molecular drug	351866	.	.	.	.	239.19	C10H12N2O3P+	67.3	336	2	16	2	4	0	"InChI=1S/C10H12N2O3P/c1-10(2)9(13)15-16(12-10)11-7-5-3-4-6-8(7)14-16/h3-6,11-12H,1-2H3/q+1"	CC1(C(=O)O[P+]2(N1)NC3=CC=CC=C3O2)C	KOYNCWVEDXKLAG-UHFFFAOYSA-N
DG63505	"Tris(2-cyanoethyl)phosphine gold 2,4,6 tetra-O-acetyl-1-seleno-D-glucopyranoside"	6330648	"NSC606488; NSC-606488; NCI60_004664; Tris(2-cyanoethyl)phosphine gold 2,4,6 tetra-O- acetyl-1-seleno-D-glucopyranoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606488	.	.	.	.	801.4	C23H32AuN3O9PSe+	186	895	.	38	0	13	15	"InChI=1S/C14H20O9Se.C9H12N3P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;10-4-1-7-13(8-2-5-11)9-3-6-12;/h10-14,24H,5H2,1-4H3;1-3,7-9H2;/q;;+1"	CC(=O)OCC1C(C(C(C(O1)[Se-])OC(=O)C)OC(=O)C)OC(=O)C.C(C[PH+](CCC#N)CCC#N)C#N.[Au+]	UCZOLWBONBJJMU-UHFFFAOYSA-N
DG63506	NSC622074	6330788	"propan-2-yl (1R,9S,12E)-11-benzyl-3,4,6-trimethoxy-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate; CHEMBL1983708; NSC622074; NSC-622074"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622074	.	.	.	.	660.8	C37H44N2O9	105	1130	5.8	48	0	9	11	"InChI=1S/C37H44N2O9/c1-20(2)48-37(41)39-27-18-25-29(35(47-10)34(46-9)22(4)32(25)44-7)30(39)26(38(36(27)40)19-23-14-12-11-13-15-23)16-24-17-28(42-5)33(45-8)21(3)31(24)43-6/h11-17,20,27,30H,18-19H2,1-10H3/b26-16+/t27-,30-/m0/s1"	CC1=C(C2=C([C@@H]3/C(=C\\C4=CC(=C(C(=C4OC)C)OC)OC)/N(C(=O)[C@H](C2)N3C(=O)OC(C)C)CC5=CC=CC=C5)C(=C1OC)OC)OC	MRHOATBYANZPIH-JHYXWMTNSA-N
DG63507	NSC622075	6330789	"propan-2-yl (1R,9S,12E)-3,4,6-trimethoxy-11-[(4-methoxyphenyl)methyl]-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate; CHEMBL1999512; NSC622075; NSC-622075"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622075	.	.	.	.	690.8	C38H46N2O10	115	1180	5.8	50	0	10	12	"InChI=1S/C38H46N2O10/c1-20(2)50-38(42)40-28-18-26-30(36(49-11)35(48-10)22(4)33(26)46-8)31(40)27(39(37(28)41)19-23-12-14-25(43-5)15-13-23)16-24-17-29(44-6)34(47-9)21(3)32(24)45-7/h12-17,20,28,31H,18-19H2,1-11H3/b27-16+/t28-,31-/m0/s1"	CC1=C(C2=C([C@@H]3/C(=C\\C4=CC(=C(C(=C4OC)C)OC)OC)/N(C(=O)[C@H](C2)N3C(=O)OC(C)C)CC5=CC=C(C=C5)OC)C(=C1OC)OC)OC	BERPBCSSMLNYMX-PBOVWJFESA-N
DG63508	NSC622076	6330790	"2-methylpropyl (1R,9S,12E)-11-benzyl-3,4,6-trimethoxy-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate; CHEMBL1980294; NSC622076; NSC-622076"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622076	.	.	.	.	674.8	C38H46N2O9	105	1140	6.4	49	0	9	12	"InChI=1S/C38H46N2O9/c1-21(2)20-49-38(42)40-28-18-26-30(36(48-10)35(47-9)23(4)33(26)45-7)31(40)27(39(37(28)41)19-24-14-12-11-13-15-24)16-25-17-29(43-5)34(46-8)22(3)32(25)44-6/h11-17,21,28,31H,18-20H2,1-10H3/b27-16+/t28-,31-/m0/s1"	CC1=C(C2=C([C@@H]3/C(=C\\C4=CC(=C(C(=C4OC)C)OC)OC)/N(C(=O)[C@H](C2)N3C(=O)OCC(C)C)CC5=CC=CC=C5)C(=C1OC)OC)OC	MUFJNSQFTGFUIU-PBOVWJFESA-N
DG63509	CID 6331027	6331027	NSC640076; Hydroxylureal-organogermanium compound; NSC-640076; NCI60_013333	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640076	.	.	.	.	1097.5	CH27Ge10N2O19	192	106	.	32	15	19	0	"InChI=1S/CH4N2O2.GeHO2.4GeO.5Ge.11H2O/c2-1(4)3-5;2-1-3;4*1-2;;;;;;;;;;;;;;;;/h5H,(H3,2,3,4);2H;;;;;;;;;;11*1H2"	C(=O)(N)NO.O.O.O.O.O.O.O.O.O.O.O.O[Ge]=O.O=[Ge].O=[Ge].O=[Ge].O=[Ge].[Ge].[Ge].[Ge].[Ge].[Ge]	JVHCFORDXMFMHC-UHFFFAOYSA-N
DG63510	NSC674192	6331387	"2-(boranylcarbonylamino)-N-[2-[(5-hydroxy-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)amino]-2-oxo-ethyl]-4-methyl-pentanamide; N,N-dimethylmethanamine; NSC674192; CHEMBL4524080; NSC-674192; 2-(boranylcarbonylamino)-N-[2-[(5-hydroxy-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)amino]-2-oxo-ethyl]-4-methyl-pentanamide; N,N-dimethylmethanamine; N-(1-(((2-((5-Hydroxy-6-oxo-5,6-dihydro-4H-cyclopenta[b]thien-4-yl)amino)-2-oxoethyl)amino)carbonyl)-3-methylbutyl)boranecarboxamide compound with N,N-dimethylmethanamine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674192	.	.	.	.	436.3	C19H29BN4O5S	156	596	.	30	4	7	7	"InChI=1S/C16H20BN3O5S.C3H9N/c1-7(2)5-9(19-16(17)25)15(24)18-6-10(21)20-11-8-3-4-26-14(8)13(23)12(11)22;1-4(2)3/h3-4,7,9,11-12,22H,5-6H2,1-2H3,(H,18,24)(H,19,25)(H,20,21);1-3H3"	[B]C(=O)NC(CC(C)C)C(=O)NCC(=O)NC1C(C(=O)C2=C1C=CS2)O.CN(C)C	YNHJHMYHGDBXBJ-UHFFFAOYSA-N
DG63511	CID 6331752	6331752	NSC718532; CHEMBL1985326; NSC-718532	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718532	.	.	.	.	356.3	C22H23BNOSi	12.2	347	.	26	0	2	7	"InChI=1S/C22H23NOSi.B/c1-4-10-20(11-5-1)25(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-19-18-23-16-17-23;/h1-15H,16-19H2;"	[B].C1CN1CCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4	RYBIKVCTGCGVDS-UHFFFAOYSA-N
DG63512	NSC59270	6332031	"Dihydroxy(oxo)azanium;24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1,3,8,11,13,15,17(21),22-octaene; Dihydroxy(oxo)azanium;24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1,3,8,11,13,15,17(21),22-octaene; Sanguinarine, 8CI); NSC-35607; NSC-59270; [1,6-c]-1,3-dioxolo[4,5-i]phenanthridinium, 13-methyl-, nitrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	59270	.	.	.	.	397.4	C20H17N2O7+	101	994	.	29	2	8	0	"InChI=1S/C20H15NO4.H2NO3/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21;2-1(3)4/h2-8,11H,9-10H2,1H3;(H2,2,3,4)/q;+1"	CN1C=C2C(=C3C1=C4C=C5C(=CC4C=C3)OCO5)C=CC6=C2OCO6.[N+](=O)(O)O	VSJBSQHXURXHMK-UHFFFAOYSA-N
DG63513	"Iodonium, (p-nitrophenyl)phenyl-nitrate"	6332375	"Iodonium, (p-nitrophenyl)phenyl- nitrate; 4072-47-3; NSC90600; DTXSID30422695; NSC-90600"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90600	.	.	.	.	390.13	C12H11IN2O5+2	106	254	.	20	2	5	2	"InChI=1S/C12H9INO2.H2NO3/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;2-1(3)4/h1-9H;(H2,2,3,4)/q2*+1"	C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)[N+](=O)[O-].[N+](=O)(O)O	AMMHDOULLGICEL-UHFFFAOYSA-N
DG63514	"Stannane, chlorohydroxydiphenyl-"	6333579	"Stannane, chlorohydroxydiphenyl-; 2984-83-0; NSC269599; ZINC232001358; NSC-269599"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269599	.	.	.	.	326.38	C12H12ClOSn	1	147	.	15	1	1	2	InChI=1S/2C6H5.ClH.H2O.Sn/c2*1-2-4-6-5-3-1;;;/h2*1-5H;1H;1H2;/q;;;;+1/p-1	C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)Cl.O	KRJAJGBJNNVEAP-UHFFFAOYSA-M
DG63515	"Gold(1+);5-(trifluoromethyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;triphenylphosphanium"	6333596	NSC274544; NSC-274544	.	.	Investigative Drug(s)	Investigative	Small molecular drug	274544	.	.	.	.	597.3	C20H16AuF3N4P+	39.7	397	.	29	0	7	3	"InChI=1S/C18H15P.C2F3N4.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3-2(4,5)1-6-8-9-7-1;/h1-15H;;/q;-1;+1/p+1"	C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1(=NN=N[N-]1)C(F)(F)F.[Au+]	GXJICUCRGZSYSO-UHFFFAOYSA-O
DG63516	"Gold(1+);5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;triphenylphosphanium"	6333597	"NSC274547; Gold,5'-bi-1H-tetrazolato(2-)-N1:N1')]bis(triphenylphosphine)di-; Gold,5'-bi-1H-tetrazolato(2-)-N1:N1']]bis(triphenylphosphine)di-; NSC-274547; Gold, {[.mu.-(5,} 5'-bi-1H-tetrazolato(2-)-N1:N1')\\]bis(triphenylphosphine)di-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	274547	.	.	.	.	1056.6	C38H32Au2N8P2+2	79.3	693	.	50	0	8	7	InChI=1S/2C18H15P.C2N8.2Au/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3-1(4-8-7-3)2-5-9-10-6-2;;/h2*1-15H;;;/q;;-2;2*+1/p+2	C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1(=NN=N[N-]1)C2=NN=N[N-]2.[Au+].[Au+]	SQKWSYIYFMNLOK-UHFFFAOYSA-P
DG63517	NSC274548	6333598	"Gold(1+);5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;triphenylphosphanium; NSC274548; NSC-274548; Gold,5'-methylenebis[1H-tetrazolato]](2-)-N(1):N(1')]]bis(triphenylphosphine)di-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	274548	.	.	.	.	1070.6	C39H34Au2N8P2+2	79.3	709	.	51	0	8	8	InChI=1S/2C18H15P.C3H2N8.2Au/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1(2-4-8-9-5-2)3-6-10-11-7-3;;/h2*1-15H;1H2;;/q;;-2;2*+1/p+2	C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C(C1=NN=N[N-]1)C2=NN=N[N-]2.[Au+].[Au+]	KXYJYWGJYDJXRA-UHFFFAOYSA-P
DG63518	Gold(1+);methyl-(1-methyltetrazol-5-yl)azanide;triphenylphosphanium	6333600	NSC274551; NSC-274551	.	.	Investigative Drug(s)	Investigative	Small molecular drug	274551	.	.	.	.	572.4	C21H22AuN5P+	44.6	356	.	28	0	4	4	InChI=1S/C18H15P.C3H6N5.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-3-5-6-7-8(3)2;/h1-15H;1-2H3;/q;-1;+1/p+1	C[N-]C1=NN=NN1C.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au+]	KHGLILQBUOHVDR-UHFFFAOYSA-O
DG63519	Benzyl-(1-methyltetrazol-5-yl)azanide;gold(1+);triphenylphosphanium	6333602	NSC274553; NSC-274553	.	.	Investigative Drug(s)	Investigative	Small molecular drug	274553	.	.	.	.	648.5	C27H26AuN5P+	44.6	474	.	34	0	4	6	"InChI=1S/C18H15P.C9H10N5.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-9(11-12-13-14)10-7-8-5-3-2-4-6-8;/h1-15H;2-6H,7H2,1H3;/q;-1;+1/p+1"	CN1C(=NN=N1)[N-]CC2=CC=CC=C2.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au+]	QLTNKLIMVDTGOO-UHFFFAOYSA-O
DG63520	Ethyl-(1-ethyltetrazol-5-yl)azanide;gold(1+);triphenylphosphanium	6333603	NSC274554; NSC-274554	.	.	Investigative Drug(s)	Investigative	Small molecular drug	274554	.	.	.	.	600.4	C23H26AuN5P+	44.6	383	.	30	0	4	6	"InChI=1S/C18H15P.C5H10N5.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-6-5-7-8-9-10(5)4-2;/h1-15H;3-4H2,1-2H3;/q;-1;+1/p+1"	CC[N-]C1=NN=NN1CC.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au+]	DUAIKJXTYBLOPL-UHFFFAOYSA-O
DG63521	"Gold, chloro(triethylphosphine)-"	6333884	"GOLD, CHLORO(TRIETHYLPHOSPHINE)-; NSC313981; 15529-90-5; NCIMech_000373; SCHEMBL1535375; CCG-35546; NSC-313981"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	313981	.	.	.	.	351.58	C6H16AuClP+	0	34.5	.	9	0	0	3	"InChI=1S/C6H15P.Au.ClH/c1-4-7(5-2)6-3;;/h4-6H2,1-3H3;;1H/q;+1;"	CC[PH+](CC)CC.Cl[Au]	SYBBXLKWGHAVHP-UHFFFAOYSA-N
DG63522	Gold;trimethylphosphanium	6333886	NSC313985; 38614-53-8; NSC-313985	.	.	Investigative Drug(s)	Investigative	Small molecular drug	313985	.	.	.	.	351.14	C6H20AuP2+2	0	26.5	.	9	0	0	0	InChI=1S/2C3H9P.Au/c2*1-4(2)3;/h2*1-3H3;/p+2	C[PH+](C)C.C[PH+](C)C.[Au]	LACRKYBICSFMDW-UHFFFAOYSA-P
DG63523	"Gold, 2,3,4,6-tetraacetate"	6333901	"AURANOFIN; NSC321521; 34031-32-8; Gold, 2,3,4,6-tetraacetate; EI-206; NSC-321521; NCGC00188400-01; (1-Thio-.beta.-D-glucopyranosato)(triethylphosphine)gold 2,4,6-tetraacetate; Gold,3,4,6-tetra-O-acetyl-1-thio-.beta.-D-glucopyranosato-S)(triethylphosphine)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	321521	.	.	.	.	679.5	C20H35AuO9PS+	115	598	.	32	0	10	12	"InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1"	CC[PH+](CC)CC.CC(=O)OCC1C(C(C(C(O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au+]	AUJRCFUBUPVWSZ-UHFFFAOYSA-N
DG63524	Gold;triethylphosphanium	6333902	SCHEMBL11574152; NSC321522; NSC-321522	.	.	Investigative Drug(s)	Investigative	Small molecular drug	321522	.	.	.	.	435.3	C12H32AuP2+2	0	68.6	.	15	0	0	6	"InChI=1S/2C6H15P.Au/c2*1-4-7(5-2)6-3;/h2*4-6H2,1-3H3;/p+2"	CC[PH+](CC)CC.CC[PH+](CC)CC.[Au]	RYFGKYYHWPUGIC-UHFFFAOYSA-P
DG63525	2'-[1-(3-Trifluoromethylphenyl)methyl]isonicotinohydrazide cyanoborane	6334922	NSC698276; 2'-[1-(3-trifluoromethylphenyl)methyl]isonicotinohydrazide cyanoborane; 1-cyanoboranyl-N'-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carbohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698276	.	.	.	.	332.09	C15H12BF3N4O+	68.8	471	.	24	2	6	5	"InChI=1S/C15H12BF3N4O/c17-15(18,19)13-3-1-2-11(8-13)9-21-22-14(24)12-4-6-23(7-5-12)16-10-20/h1-8,21H,9H2,(H,22,24)/q+1"	[B](C#N)[N+]1=CC=C(C=C1)C(=O)NNCC2=CC(=CC=C2)C(F)(F)F	ZQBOPEOTMMNPLT-UHFFFAOYSA-N
DG63526	2'-(1-(2-Fluorophenyl)ethyl)isonicotinohydrazide cyanoborane	6334924	NSC697113; 2'-(1-(2-fluorophenyl)ethyl)isonicotinohydrazide cyanoborane; 1-cyanoboranyl-N'-[1-(2-fluorophenyl)ethyl]pyridine-4-carbohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697113	.	.	.	.	296.11	C15H14BFN4O+	68.8	419	.	22	2	4	5	"InChI=1S/C15H14BFN4O/c1-11(13-4-2-3-5-14(13)17)19-20-15(22)12-6-8-21(9-7-12)16-10-18/h2-9,11,19H,1H3,(H,20,22)/q+1"	[B](C#N)[N+]1=CC=C(C=C1)C(=O)NNC(C)C2=CC=CC=C2F	IVYLJQSUVLPKJB-UHFFFAOYSA-N
DG63527	2'-[1-(3-Trifluoromethylphenyl)ethyl]isonicotinohydrazide cyanoborane	6334930	NSC672812; 2'-[1-(3-trifluoromethylphenyl)ethyl]isonicotinohydrazide cyanoborane; 1-cyanoboranyl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-4-carbohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672812	.	.	.	.	346.1	C16H14BF3N4O+	68.8	499	.	25	2	6	5	"InChI=1S/C16H13BF3N4O/c1-11(13-3-2-4-14(9-13)16(18,19)20)22-23-15(25)12-5-7-24(8-6-12)17-10-21/h2-9,11,25H,1H3/p+1"	[B](C#N)[N+]1=CC=C(C=C1)C(=O)NNC(C)C2=CC(=CC=C2)C(F)(F)F	QJCSRZPOADWDDW-UHFFFAOYSA-O
DG63528	"1-cyanoboranyl-N'-(2,2,2-trifluoro-1-phenyl-ethyl)pyridine-4-carbohydrazide"	6335058	"NSC679107; 1-cyanoboranyl-N'-(2,2,2-trifluoro-1-phenyl-ethyl)pyridine-4-carbohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679107	.	.	.	.	332.09	C15H12BF3N4O+	68.8	465	.	24	2	6	5	"InChI=1S/C15H11BF3N4O/c17-15(18,19)13(11-4-2-1-3-5-11)21-22-14(24)12-6-8-23(9-7-12)16-10-20/h1-9,13,24H/p+1"	[B](C#N)[N+]1=CC=C(C=C1)C(=O)NNC(C2=CC=CC=C2)C(F)(F)F	QVMSQJXFGLXNAN-UHFFFAOYSA-O
DG63529	"3,3'-Diethyl-9-methylthiacarbocyanine iodide"	6364517	"3065-79-0; 3,3'-Diethyl-9-methylthiacarbocyanine iodide; NSC96932; Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)-, iodide; 3-Ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole;iodide; EINECS 221-317-2; NSC 96932; MLS001018610; MLS002702525; Benzothiazolium,iodide; SMR000354813; MLS002637214; CHEMBL466853; REGID_for_CID_6364517; HMS2627F17; NSC-96932; AKOS001031965; AKOS024370928; 3-Ethyl-2-(3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl)benzothiazolium iodide; Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2-benzothiazolinylidene)-2-methyl-1-propenyl)-, iodide; 3,3 -Diethyl-9-methylthiacarbocyanine iodide; J-018045"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	96932	.	.	.	.	506.5	C22H23IN2S2	60.7	511	.	27	0	4	4	"InChI=1S/C22H23N2S2.HI/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1"	CCN\\1C2=CC=CC=C2S/C1=C\\C(=C\\C3=[N+](C4=CC=CC=C4S3)CC)\\C.[I-]	SAEMBGFHGROQJZ-UHFFFAOYSA-M
DG63530	Stains-all	6364602	"Stains-all; Carbocyanin DBTC; 7423-31-6; DBTC; UNII-4MB06G6N2I; 4MB06G6N2I; 1-Ethyl-2-[3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methylprop-2-enylidene]benzo[e][1,3]benzothiazole;bromide; 3,3'-Diethyl-9-methyl-4,5,4',5'-dibenzothiacarbocyanine bromide; 4,5,4',5'-Dibenzo-3,3'-diethyl-9-methylthiacarbocyanine bromide; 1-ethyl-2-((1E,3E)-3-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-methylprop-1-en-1-yl)naphtho[1,2-d]thiazol-1-ium bromide; SCHEMBL143896; CHEBI:52273; HY-D0987; NSC290437; AKOS015913645; CS-8102; NSC-290437; AS-75001; Q9341301; 1-ethyl-2-[(1E)-3-[(2Z)-1-ethyl-1H,2H-naphtho[1,2-d][1,3]thiazol-2-ylidene]-2-methylprop-1-en-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium bromide; 1-ethyl-2-[3-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)-2-methylprop-1-en-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium bromide; 1-Ethyl-2-[3-(1-ethylnaphtho[1,2-d]thiazolin-2-ylidene)-2-methylpropenyl]naphtho[1,2-d]thiazolium bromide; Naphtho[1, 1-ethyl-2-[3-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-methyl-1-propenyl]-, bromide; Naphtho[1, 1-ethyl-2-[3-(1-ethylnaphtho[1,2-d]thiazolin-2-ylidene)-2-methylpropenyl]-, bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	290437	.	.	.	.	559.6	C30H27BrN2S2	60.7	730	.	35	0	4	4	"InChI=1S/C30H27N2S2.BrH/c1-4-31-27(33-25-16-14-21-10-6-8-12-23(21)29(25)31)18-20(3)19-28-32(5-2)30-24-13-9-7-11-22(24)15-17-26(30)34-28;/h6-19H,4-5H2,1-3H3;1H/q+1;/p-1"	CCN1/C(=C/C(=C/C2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CC)/C)/SC5=C1C6=CC=CC=C6C=C5.[Br-]	MPBRYMWMMKKRGC-UHFFFAOYSA-M
DG63531	4-(Dimethylamino)-2-butanone oxime	6369039	NSC651590; 4-dimethylamino-butan-2-one oxime; CHEMBL2008399; 89582-23-0; 4-(Dimethylamino)-2-butanone oxime; 4-(dimethylamino)butan-2-one oxime; ZINC16958230; 4-(Dimethylamino)-2-butanone oxime hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651590	.	.	.	.	130.19	C6H14N2O	35.8	99.2	0.2	9	1	3	3	"InChI=1S/C6H14N2O/c1-6(7-9)4-5-8(2)3/h9H,4-5H2,1-3H3/b7-6-"	C/C(=N/O)/CCN(C)C	PYKHJSHBCGXOGW-SREVYHEPSA-N
DG63532	(4Z)-4-[(4-nitrophenyl)hydrazinylidene]pentanoic acid	6369925	NSC23936; 1568-48-5; DTXSID30422892; NSC-23936; ZINC16970104	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23936	.	.	.	.	251.24	C11H13N3O4	108	330	1.4	18	2	6	5	"InChI=1S/C11H13N3O4/c1-8(2-7-11(15)16)12-13-9-3-5-10(6-4-9)14(17)18/h3-6,13H,2,7H2,1H3,(H,15,16)/b12-8-"	C/C(=N/NC1=CC=C(C=C1)[N+](=O)[O-])/CCC(=O)O	URXGWHZLEDEINF-WQLSENKSSA-N
DG63533	"1-N,4-N-bis[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]piperazine-1,4-dicarbothioamide"	6371863	NSC701208; CHEMBL1989837; NSC-701208	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701208	.	.	.	.	630.8	C30H34N10O2S2	167	1160	3.7	44	2	8	6	"InChI=1S/C30H34N10O2S2/c1-21-25(27(41)39(35(21)3)23-11-7-5-8-12-23)19-31-33-29(43)37-15-17-38(18-16-37)30(44)34-32-20-26-22(2)36(4)40(28(26)42)24-13-9-6-10-14-24/h5-14,19-20H,15-18H2,1-4H3,(H,33,43)(H,34,44)/b31-19-,32-20-"	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=N\\NC(=S)N3CCN(CC3)C(=S)N/N=C\\C4=C(N(N(C4=O)C5=CC=CC=C5)C)C	GWWYAIOHOKAKIV-CDSIFPFTSA-N
DG63534	1-[(Z)-1-[6-[(Z)-C-methyl-N-(p-tolylcarbamothioylamino)carbonimidoyl]-2-pyridyl]ethylideneamino]-3-(p-tolyl)thiourea	6371881	"NSC668488; NSC-668488; 1,1'-(2,6-Pyridinediyl)bis[ethanone 4-(4-methylphenyl)thiosemicarbazone]; 1-[(Z)-1-[6-[(Z)-C-methyl-N-(p-tolylcarbamothioylamino)carbonimidoyl]-2-pyridyl]ethylideneamino]-3-(p-tolyl)thiourea; Hydrazinecarbothioamide, 2,2'-[2,6-pyridinediyldi(1Z)ethylidyne]bis[N-(4-methylphenyl)-, (2Z,2'Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668488	.	.	.	.	489.7	C25H27N7S2	150	678	5.2	34	4	5	6	"InChI=1S/C25H27N7S2/c1-16-8-12-20(13-9-16)26-24(33)31-29-18(3)22-6-5-7-23(28-22)19(4)30-32-25(34)27-21-14-10-17(2)11-15-21/h5-15H,1-4H3,(H2,26,31,33)(H2,27,32,34)/b29-18-,30-19-"	CC1=CC=C(C=C1)NC(=S)N/N=C(/C)\\C2=NC(=CC=C2)/C(=N\\NC(=S)NC3=CC=C(C=C3)C)/C	MZPSYWIZPCZIKD-XLRODDBQSA-N
DG63535	1-[(Z)-1-[6-[(Z)-C-methyl-N-(m-tolylcarbamothioylamino)carbonimidoyl]-2-pyridyl]ethylideneamino]-3-(m-tolyl)thiourea	6373421	"NSC668489; NSC-668489; 1-[(Z)-1-[6-[(Z)-C-methyl-N-(m-tolylcarbamothioylamino)carbonimidoyl]-2-pyridyl]ethylideneamino]-3-(m-tolyl)thiourea; Hydrazinecarbothioamide, 2,2'-[2,6-pyridinediyldi(1Z)ethylidyne]bis[N-(3-methylphenyl)-, (2Z,2'Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668489	.	.	.	.	489.7	C25H27N7S2	150	694	5.2	34	4	5	6	"InChI=1S/C25H27N7S2/c1-16-8-5-10-20(14-16)26-24(33)31-29-18(3)22-12-7-13-23(28-22)19(4)30-32-25(34)27-21-11-6-9-17(2)15-21/h5-15H,1-4H3,(H2,26,31,33)(H2,27,32,34)/b29-18-,30-19-"	CC1=CC(=CC=C1)NC(=S)N/N=C(/C)\\C2=NC(=CC=C2)/C(=N\\NC(=S)NC3=CC=CC(=C3)C)/C	RXCAJJOZDOBUMR-XLRODDBQSA-N
DG63536	N-(4-Chlorophenyl)-7-(4-fluorophenyl)-5-((hydrazino(oxo)acetyl)hydrazono)-7-oxoheptanamide	6374157	NSC632010; CHEMBL1976760; NSC-632010; N-(4-Chlorophenyl)-7-(4-fluorophenyl)-5-((hydrazino(oxo)acetyl)hydrazono)-7-oxoheptanamide; (5E)-N-(4-chlorophenyl)-7-(4-fluorophenyl)-5-[(2-hydrazino-2-oxo-acetyl)hydrazono]-7-oxo-heptanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632010	.	.	.	.	461.9	C21H21ClFN5O4	143	704	2.6	32	4	7	9	"InChI=1S/C21H21ClFN5O4/c22-14-6-10-16(11-7-14)25-19(30)3-1-2-17(27-28-21(32)20(31)26-24)12-18(29)13-4-8-15(23)9-5-13/h4-11H,1-3,12,24H2,(H,25,30)(H,26,31)(H,28,32)/b27-17+"	C1=CC(=CC=C1C(=O)C/C(=N/NC(=O)C(=O)NN)/CCCC(=O)NC2=CC=C(C=C2)Cl)F	ADMVLUJOUHQWBV-WPWMEQJKSA-N
DG63537	1-[(Z)-1-[6-[(Z)-C-methyl-N-(phenylcarbamothioylamino)carbonimidoyl]-2-pyridyl]ethylideneamino]-3-phenyl-thiourea	6374206	"NSC668482; NSC-668482; 1,1'-(2,6-Pyridinediyl)bis(ethanone 4-phenyl thiosemicarbazone); Hydrazinecarbothioamide, 2,2'-[2,6-pyridinediyldi(1Z)ethylidyne]bis[N-phenyl-, (2Z,2'Z)-; 1-[(Z)-1-[6-[(Z)-C-methyl-N-(phenylcarbamothioylamino)carbonimidoyl]-2-pyridyl]ethylideneamino]-3-phenyl-thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668482	.	.	.	.	461.6	C23H23N7S2	150	626	4.4	32	4	5	6	"InChI=1S/C23H23N7S2/c1-16(27-29-22(31)24-18-10-5-3-6-11-18)20-14-9-15-21(26-20)17(2)28-30-23(32)25-19-12-7-4-8-13-19/h3-15H,1-2H3,(H2,24,29,31)(H2,25,30,32)/b27-16-,28-17-"	C/C(=N/NC(=S)NC1=CC=CC=C1)/C2=NC(=CC=C2)/C(=N\\NC(=S)NC3=CC=CC=C3)/C	MZQGSCORBLNOGN-KYGWZODQSA-N
DG63538	"Thymine,2-bis(ethoxycarbonyl)ethenyl]-"	6374527	"NSC678991; CHEMBL2005628; ZINC17261270; NSC-678991; Thymine,2-bis(ethoxycarbonyl)ethenyl]-; 2-Butenedioic acid,4-dioxopyrimidin-1-yl)-,diethyl ester; Diethyl 2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)fumarate; 168975-19-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678991	.	.	.	.	296.28	C13H16N2O6	102	535	0.4	21	1	6	7	"InChI=1S/C13H16N2O6/c1-4-20-10(16)6-9(12(18)21-5-2)15-7-8(3)11(17)14-13(15)19/h6-7H,4-5H2,1-3H3,(H,14,17,19)/b9-6-"	CCOC(=O)/C=C(/C(=O)OCC)\\N1C=C(C(=O)NC1=O)C	RBIZUPIXEMIJIL-TWGQIWQCSA-N
DG63539	(5E)-4-chloro-5-(2-furylmethylene)imidazole-2-thione	6374661	"NSC684378; CHEMBL1964697; NSC-684378; (5E)-4-chloro-5-(2-furylmethylene)imidazole-2-thione; 2H-Imidazole-2-thione, 4-chloro-5-(2-furanylmethylene)-1,5-dihydro-, (5E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684378	.	.	.	.	212.66	C8H5ClN2OS	69.6	301	2.1	13	1	2	1	"InChI=1S/C8H5ClN2OS/c9-7-6(10-8(13)11-7)4-5-2-1-3-12-5/h1-4H,(H,10,13)/b6-4+"	C1=COC(=C1)/C=C/2\\C(=NC(=S)N2)Cl	WOSSWUIZIBDNNL-GQCTYLIASA-N
DG63540	(+/-)-Rhopaloic acid	6374719	"NSC697717; Rhopaloic acid; (+/-)-rhopaloic acid; CHEMBL1977277; NSC-697717; 2-(5-(4,8,12-Trimethyl-3,7,11-tridecatrienyl)tetrahydro-2H-pyran-2-yl)acrylic acid; 2-[5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]tetrahydropyran-2-yl]prop-2-enoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697717	.	.	.	.	374.6	C24H38O3	46.5	576	6.9	27	1	3	11	"InChI=1S/C24H38O3/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-22-15-16-23(27-17-22)21(5)24(25)26/h9,11,13,22-23H,5-8,10,12,14-17H2,1-4H3,(H,25,26)/b19-11+,20-13+"	CC(=CCC/C(=C/CC/C(=C/CCC1CCC(OC1)C(=C)C(=O)O)/C)/C)C	IFDPWHHQIPWEFF-UFTLRZAHSA-N
DG63541	"benzyl N,N-dimethyl-N'-(phenylcarbamothioyl)carbamimidothioate"	6375381	NSC622575; CHEMBL1982423; NSC-622575	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622575	.	.	.	.	329.5	C17H19N3S2	85	370	4.2	22	1	2	5	"InChI=1S/C17H19N3S2/c1-20(2)17(22-13-14-9-5-3-6-10-14)19-16(21)18-15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,18,21)/b19-17-"	CN(C)/C(=N/C(=S)NC1=CC=CC=C1)/SCC2=CC=CC=C2	MAABATQUMLGPPA-ZPHPHTNESA-N
DG63542	NSC668486	6375828	"1-(4-methoxyphenyl)-3-[(Z)-1-[6-[(Z)-N-[(4-methoxyphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]-2-pyridyl]ethylideneamino]thiourea; NSC668486; NSC-668486; 1-(4-methoxyphenyl)-3-[(Z)-1-[6-[(Z)-N-[(4-methoxyphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]-2-pyridyl]ethylideneamino]thiourea; Hydrazinecarbothioamide, 2,2'-[2,6-pyridinediyldi(1Z)ethylidyne]bis[N-(4-methoxyphenyl)-, (2Z,2'Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668486	.	.	.	.	521.7	C25H27N7O2S2	168	716	4.4	36	4	7	8	"InChI=1S/C25H27N7O2S2/c1-16(29-31-24(35)26-18-8-12-20(33-3)13-9-18)22-6-5-7-23(28-22)17(2)30-32-25(36)27-19-10-14-21(34-4)15-11-19/h5-15H,1-4H3,(H2,26,31,35)(H2,27,32,36)/b29-16-,30-17-"	C/C(=N/NC(=S)NC1=CC=C(C=C1)OC)/C2=NC(=CC=C2)/C(=N\\NC(=S)NC3=CC=C(C=C3)OC)/C	JTKHOYAYUPIKBQ-MALYEEFDSA-N
DG63543	1-(5-Bromo-2-thienyl)-1-propanone oxime	6375867	NSC681316; CHEMBL1986632; NSC-681316; 1-(5-bromo-2-thienyl)propan-1-one oxime; 1-(5-Bromo-2-thienyl)-1-propanone oxime	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681316	.	.	.	.	234.12	C7H8BrNOS	60.8	163	3.4	11	1	3	2	"InChI=1S/C7H8BrNOS/c1-2-5(9-10)6-3-4-7(8)11-6/h3-4,10H,2H2,1H3/b9-5-"	CC/C(=N/O)/C1=CC=C(S1)Br	PQQTWLXMARBUML-UITAMQMPSA-N
DG63544	NSC668483	6376018	"1-(4-chlorophenyl)-3-[(Z)-1-[6-[(Z)-N-[(4-chlorophenyl)carbamothioylamino]-C-methyl-carbonimidoyl]-2-pyridyl]ethylideneamino]thiourea; NSC668483; CHEMBL1964706; NSC-668483; 1-(4-chlorophenyl)-3-[(Z)-1-[6-[(Z)-N-[(4-chlorophenyl)carbamothioylamino]-C-methyl-carbonimidoyl]-2-pyridyl]ethylideneamino]thiourea; Hydrazinecarbothioamide, 2,2'-[2,6-pyridinediyldi(1Z)ethylidyne]bis[N-(4-chlorophenyl)-, (2Z,2'Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668483	.	.	.	.	530.5	C23H21Cl2N7S2	150	688	5.7	34	4	5	6	"InChI=1S/C23H21Cl2N7S2/c1-14(29-31-22(33)26-18-10-6-16(24)7-11-18)20-4-3-5-21(28-20)15(2)30-32-23(34)27-19-12-8-17(25)9-13-19/h3-13H,1-2H3,(H2,26,31,33)(H2,27,32,34)/b29-14-,30-15-"	C/C(=N/NC(=S)NC1=CC=C(C=C1)Cl)/C2=NC(=CC=C2)/C(=N\\NC(=S)NC3=CC=C(C=C3)Cl)/C	GPWDYWVEELAISV-QKPCRAOOSA-N
DG63545	"4,5H)-Pyrimidinedione, 5-[3-[4-(diethylamino)phenyl]-2-propenylidene]-2,3-dihydro-2-thioxo-"	6376062	"NSC684567; CHEMBL2004478; NSC-684567; 4,5H)-Pyrimidinedione, 5-[3-[4-(diethylamino)phenyl]- 2-propenylidene]-2,3-dihydro-2-thioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684567	.	.	.	.	329.4	C17H19N3O2S	93.5	508	3.1	23	2	4	5	"InChI=1S/C17H19N3O2S/c1-3-20(4-2)13-10-8-12(9-11-13)6-5-7-14-15(21)18-17(23)19-16(14)22/h5-11H,3-4H2,1-2H3,(H2,18,19,21,22,23)/b6-5+"	CCN(CC)C1=CC=C(C=C1)/C=C/C=C2C(=O)NC(=S)NC2=O	PQAJYKROAHMHFM-AATRIKPKSA-N
DG63546	"7-(4-(dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide"	6376322	"7-(4-(dimethylamino)phenyl)-N-hydroxy- 4,6-dimethyl-7-oxo-2,4-heptadienamide; 2, 7-[4-(dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxo-; 2, 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxo-; Trichostatin A (racemate); CHEMBL26159; SCHEMBL446806; CHEBI:91570; 7-(4-(Dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide; NSC311042; NSC709238; AKOS030213149; NSC-311042; NSC-709238; LS-14594; CS-0021924; BRD-A19037878-001-01-5; Hepta-2, 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl- 7-oxo-, (2E,4E,6R)-; 1208356-08-4; 503610-77-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709238	.	.	.	.	302.37	C17H22N2O3	69.6	447	2.7	22	2	4	6	"InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+"	CC(/C=C(\\C)/C=C/C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C	RTKIYFITIVXBLE-WKWSCTOISA-N
DG63547	"(5E)-5-[4-(diethylamino)benzylidene]imidazolidine-2,4-dione"	6376972	"(Z)-5-(4-(diethylamino)benzylidene)imidazolidine-2,4-dione; SCHEMBL16685430; ZINC71294; NSC750233; STK054708; AKOS002953974; NSC-750233; (5E)-5-[4-(diethylamino)benzylidene]imidazolidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750233	.	.	.	.	259.3	C14H17N3O2	61.4	380	1.9	19	2	3	4	"InChI=1S/C14H17N3O2/c1-3-17(4-2)11-7-5-10(6-8-11)9-12-13(18)16-14(19)15-12/h5-9H,3-4H2,1-2H3,(H2,15,16,18,19)/b12-9+"	CCN(CC)C1=CC=C(C=C1)/C=C/2\\C(=O)NC(=O)N2	QSFFDFDTLWXQFV-FMIVXFBMSA-N
DG63548	"2-[(4E)-1,5-dimethyl-4-[(4-nitrophenyl)hydrazinylidene]-7-oxo-8-tricyclo[4.4.0.02,8]decanyl]propanoic acid"	6377377	NSC294530; NSC-294530	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294530	.	.	.	.	399.4	C21H25N3O5	125	769	3.2	29	2	7	4	"InChI=1S/C21H25N3O5/c1-11-15(23-22-13-4-6-14(7-5-13)24(28)29)10-16-20(3)8-9-21(16,12(2)19(26)27)18(25)17(11)20/h4-7,11-12,16-17,22H,8-10H2,1-3H3,(H,26,27)/b23-15+"	CC\\1C2C(=O)C3(CCC2(C3C/C1=N\\NC4=CC=C(C=C4)[N+](=O)[O-])C)C(C)C(=O)O	AWVZNWWDGGUAQE-HZHRSRAPSA-N
DG63549	5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-methyl-6-phenyl-4-pyrrolidin-1-yl-pyridazin-3-one	6380585	"NSC633104; Pyridazin-3(2H)-one der.; CHEMBL1964345; NSC-633104; 3(2H)-Pyridazinone, 5-[(2E)-3-(4-chlorophenyl)-1-oxo-2-propenyl]-2-methyl-6-phenyl-4-(1-pyrrolidinyl)-; 4-Pyrrolizino-5-[1-oxo-3-(4-chlorophenyl)-2-propenyl]-2-methyl-6-phenylpyridazin-3(2H)-one; 5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-methyl-6-phenyl-4-pyrrolidin-1-yl-pyridazin-3-one; Pyridazin-3(2H)-one, 5-[3-(4-chlorophenyl)-1-oxo-2-propenyl]4-(1-imidazolidinyl)-2-methyl-6-phenyl"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633104	.	.	.	.	419.9	C24H22ClN3O2	53	752	4.9	30	0	4	5	"InChI=1S/C24H22ClN3O2/c1-27-24(30)23(28-15-5-6-16-28)21(22(26-27)18-7-3-2-4-8-18)20(29)14-11-17-9-12-19(25)13-10-17/h2-4,7-14H,5-6,15-16H2,1H3/b14-11+"	CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)Cl)N4CCCC4	GUUJTTWRKAEVNS-SDNWHVSQSA-N
DG63550	5-(3-(4-Fluorophenyl)acryloyl)-2-methyl-6-phenyl-4-(1-pyrrolidinyl)-3(2H)-pyridazinone	6380586	NSC633105; CHEMBL1978870; ZINC16957273; NSC-633105; 5-(3-(4-Fluorophenyl)acryloyl)-2-methyl-6-phenyl-4-(1-pyrrolidinyl)-3(2H)-pyridazinone; 4-Pyrrolizino-5-[1-oxo-3-(4-fluorophenyl)-2-propenyl]-2-methyl-6-phenylpyridazin-3(2H)-one; 5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-2-methyl-6-phenyl-4-pyrrolidin-1-yl-pyridazin-3-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633105	.	.	.	.	403.4	C24H22FN3O2	53	752	4.3	30	0	5	5	"InChI=1S/C24H22FN3O2/c1-27-24(30)23(28-15-5-6-16-28)21(22(26-27)18-7-3-2-4-8-18)20(29)14-11-17-9-12-19(25)13-10-17/h2-4,7-14H,5-6,15-16H2,1H3/b14-11+"	CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)F)N4CCCC4	LYWHTOFQZYMZNT-SDNWHVSQSA-N
DG63551	CID 6381338	6381338	NSC626670; NSC-626670; NCI60_008434	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626670	.	.	.	.	439.7	C12H10CuO4Se2	68.3	305	.	19	0	4	0	InChI=1S/2C6H5O2Se.Cu/c2*7-9(8)6-4-2-1-3-5-6;/h2*1-5H;	C1=CC=C(C=C1)[Se](=O)=O.C1=CC=C(C=C1)[Se](=O)=O.[Cu]	QEFKWOOGLPYLQH-UHFFFAOYSA-N
DG63552	"Uracil,3-bis[1,2-bis(ethoxycarbonyl)ethenyl]-"	6381423	"CHEMBL1982123; NSC679005; ZINC17261303; NSC-679005; Uracil,3-bis[1,2-bis(ethoxycarbonyl)ethenyl]-; 2-Butenedioic acid,2'-(2,4-dioxopyrimidine-1,3-diyl)bis-, tetraethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679005	.	.	.	.	452.4	C20H24N2O10	146	872	1	32	0	10	14	"InChI=1S/C20H24N2O10/c1-5-29-16(24)11-13(18(26)31-7-3)21-10-9-15(23)22(20(21)28)14(19(27)32-8-4)12-17(25)30-6-2/h9-12H,5-8H2,1-4H3/b13-11-,14-12+"	CCOC(=O)/C=C(/C(=O)OCC)\\N1C=CC(=O)N(C1=O)/C(=C/C(=O)OCC)/C(=O)OCC	UPHYNRRUSIKYTL-HEEUSZRZSA-N
DG63553	"Thymine,3-bis[1,2-bis(ethoxycarbonyl)ethenyl]-"	6382533	"CHEMBL1974919; NSC679006; ZINC17261310; NSC-679006; Thymine,3-bis[1,2-bis(ethoxycarbonyl)ethenyl]-; 2-Butenedioic acid,2'-(5-methyl-2,4-dioxopyrimidine- 1,3-diyl)bis-, tetraethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679006	.	.	.	.	466.4	C21H26N2O10	146	916	1.3	33	0	10	14	"InChI=1S/C21H26N2O10/c1-6-30-16(24)10-14(19(27)32-8-3)22-12-13(5)18(26)23(21(22)29)15(20(28)33-9-4)11-17(25)31-7-2/h10-12H,6-9H2,1-5H3/b14-10-,15-11+"	CCOC(=O)/C=C(/C(=O)OCC)\\N1C=C(C(=O)N(C1=O)/C(=C/C(=O)OCC)/C(=O)OCC)C	RZNBOHOZOJPOSW-YCRUPXPOSA-N
DG63554	N-(4-Methoxyphenyl)-all-trans-retinamide	6385696	"N-4-Methoxyphenylretinamide; N-(4-Methoxyphenyl)-all-trans-retinamide; 79965-10-9; CHEMBL245546; NSC743413; ZINC22062299; NSC-743413; (2E,4E,6E,8E)-N-(4-methoxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743413	.	.	.	.	405.6	C27H35NO2	38.3	741	7.6	30	1	2	7	"InChI=1S/C27H35NO2/c1-20(12-17-25-22(3)11-8-18-27(25,4)5)9-7-10-21(2)19-26(29)28-23-13-15-24(30-6)16-14-23/h7,9-10,12-17,19H,8,11,18H2,1-6H3,(H,28,29)/b10-7+,17-12+,20-9+,21-19+"	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=CC=C(C=C2)OC)/C)/C	DBQHWMPFMCOGIW-ABRSJASVSA-N
DG63555	"(17E)-10,13-dimethyl-17-(2-pyrrolidin-1-ylethoxyimino)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol"	6386285	"NSC680093; (17E)-10,13-dimethyl-17-(2-pyrrolidin-1-ylethoxyimino)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol; 3-Hydroxyandrost-5-en-17-one O-(2-(1-pyrrolidinyl)ethyl)oxime"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680093	.	.	.	.	400.6	C25H40N2O2	45.1	682	4.3	29	1	4	4	"InChI=1S/C25H40N2O2/c1-24-11-9-19(28)17-18(24)5-6-20-21-7-8-23(25(21,2)12-10-22(20)24)26-29-16-15-27-13-3-4-14-27/h5,19-22,28H,3-4,6-17H2,1-2H3/b26-23+"	CC1\\2CCC3C(C1CC/C2=N\\OCCN4CCCC4)CC=C5C3(CCC(C5)O)C	NKCAZFVLQNHPQH-WNAAXNPUSA-N
DG63556	CID 6392756	6392756	NCI60_004993; NSC615542; NSC-615542	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615542	.	.	.	.	1199.8	C37H32Cl6OP2PtSn2+2	1	632	.	49	0	1	6	InChI=1S/2C18H15P.CO.6ClH.Pt.2Sn/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;;;;;;;;/h2*1-15H;;6*1H;;;/q;;;;;;;;;;2*+3/p-4	[C-]#[O+].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.Cl[Sn](Cl)Cl.Cl[Sn](Cl)Cl.[Pt]	RCYHWIXGZOOKMQ-UHFFFAOYSA-J
DG63557	(2Z)-2-methoxyimino-N-thiazol-5-yl-2-[2-(tritylamino)thiazol-4-yl]acetamide	6393313	"NSC660850; CHEMBL1988527; NSC-660850; (2Z)-2-methoxyimino-N-thiazol-5-yl-2-[2-(tritylamino)thiazol-4-yl]acetamide; 2-(Methoxyimino)-N-(1,3-thiazol-5-yl)-2-(2-(tritylamino)-1,3-thiazol-4-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660850	.	.	.	.	525.6	C28H23N5O2S2	145	720	6.9	37	2	8	9	"InChI=1S/C28H23N5O2S2/c1-35-33-25(26(34)31-24-17-29-19-37-24)23-18-36-27(30-23)32-28(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-19H,1H3,(H,30,32)(H,31,34)/b33-25-"	CO/N=C(/C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)\\C(=O)NC5=CN=CS5	VNMSNUSYUSDUSP-IVQJCJPDSA-N
DG63558	Palisol	6393559	"Palisol; 77249-84-4; Isopalisol; CHEMBL2005144; NSC699122; NSC-699122; 3-Penten-2-ol, 1-bromo-5-(2,2-dimethyl-6-methylene-3-cyclohexen-1-yl)-3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699122	.	.	.	.	299.25	C15H23BrO	20.2	339	4.2	17	1	1	4	"InChI=1S/C15H23BrO/c1-11-6-5-9-15(3,4)13(11)8-7-12(2)14(17)10-16/h5,7,9,13-14,17H,1,6,8,10H2,2-4H3/b12-7+"	C/C(=C\\CC1C(=C)CC=CC1(C)C)/C(CBr)O	PSLQVGUCVAPCDK-KPKJPENVSA-N
DG63559	"2,6-Bis[1-(3-ethylthioureidoimino)ethyl]pyridine"	6393657	"NSC668337; CHEMBL2003127; NSC-668337; 2,6-Bis[1-(3-ethylthioureidoimino)ethyl]pyridine; Hydrazinecarbothioamide, 2,2'-[2,6-pyridinediyldi(1Z)ethylidyne]bis[N-ethyl-, (2Z,2'Z)-; 1-ethyl-3-[(Z)-1-[6-[(Z)-N-(ethylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-pyridyl]ethylideneamino]thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668337	.	.	.	.	365.5	C15H23N7S2	150	448	2.1	24	4	5	6	"InChI=1S/C15H23N7S2/c1-5-16-14(23)21-19-10(3)12-8-7-9-13(18-12)11(4)20-22-15(24)17-6-2/h7-9H,5-6H2,1-4H3,(H2,16,21,23)(H2,17,22,24)/b19-10-,20-11-"	CCNC(=S)N/N=C(/C)\\C1=NC(=CC=C1)/C(=N\\NC(=S)NCC)/C	ZINONERQPCFXDA-PZRYXVKFSA-N
DG63560	"7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-amine"	6399307	"NSC629487; 7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-amine; CHEMBL1993525; NSC-629487; NCI60_009545; 7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629487	.	.	.	.	212.21	C10H8N6	93.4	242	0.6	16	2	5	1	"InChI=1S/C10H8N6/c11-10-12-9-8(14-16-10)7(13-15-9)6-4-2-1-3-5-6/h1-5H,(H3,11,12,13,15,16)"	C1=CC=C(C=C1)C2=C3C(=NN2)N=C(N=N3)N	SREKPZQIQWKBDH-UHFFFAOYSA-N
DG63561	"(2E)-2-hydroxyimino-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-4-oxo-N-(2,4,5-trichlorophenyl)butanamide"	6399319	NSC635544; CHEMBL1987626; ZINC16957367; NSC-635544	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635544	.	.	.	.	483.7	C19H13Cl3N4O5	125	820	3.9	31	2	7	5	"InChI=1S/C19H13Cl3N4O5/c1-9-18(26(31)16-5-3-2-4-15(16)25(9)30)17(27)8-14(24-29)19(28)23-13-7-11(21)10(20)6-12(13)22/h2-7,29H,8H2,1H3,(H,23,28)/b24-14+"	CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C/C(=N\\O)/C(=O)NC3=CC(=C(C=C3Cl)Cl)Cl	VJKZYNMNGDXZFC-ZVHZXABRSA-N
DG63562	"4-nitro-8H-triazolo[4,5-e][2,1,3]benzoxadiazole"	6399355	"NSC669452; CHEMBL1965554; NSC-669452; NCI60_024223; 4-nitro-1,2,3-triazolo[4,5-e] benzofurazan; 4-nitro-8H-triazolo[4,5-e][2,1,3]benzoxadiazole; 4-(Hydroxy(oxido)amino)-8H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669452	.	.	.	.	206.12	C6H2N6O3	126	283	0.1	15	1	7	0	"InChI=1S/C6H2N6O3/c13-12(14)3-1-2-4(8-11-7-2)6-5(3)9-15-10-6/h1H,(H,7,8,11)"	C1=C(C2=NON=C2C3=NNN=C31)[N+](=O)[O-]	UPBSKJLZVLKIQT-UHFFFAOYSA-N
DG63563	NSC614495	6399893	(2Z)-3-(3-bromo-4-hydroxy-phenyl)-N-[2-[2-[[(2Z)-3-(3-bromo-4-hydroxy-phenyl)-2-hydroxyimino-propanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyimino-propanamide; NSC614495; MLS005951917; SCHEMBL12521616; ZINC26500814; SMR004624572; (2Z)-3-(3-bromo-4-hydroxy-phenyl)-N-[2-[2-[[(2Z)-3-(3-bromo-4-hydroxy-phenyl)-2-hydroxyimino-propanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyimino-propanamide; 3-(3-Bromo-4-hydroxyphenyl)-N-(2-((2-((3-(3-bromo-4-hydroxyphenyl)-2-(hydroxyimino)propanoyl)amino)ethyl)dithio)ethyl)-2-(hydroxyimino)propanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614495	.	.	.	.	664.4	C22H24Br2N4O6S2	214	717	4.8	36	6	10	13	"InChI=1S/C22H24Br2N4O6S2/c23-15-9-13(1-3-19(15)29)11-17(27-33)21(31)25-5-7-35-36-8-6-26-22(32)18(28-34)12-14-2-4-20(30)16(24)10-14/h1-4,9-10,29-30,33-34H,5-8,11-12H2,(H,25,31)(H,26,32)/b27-17-,28-18-"	C1=CC(=C(C=C1C/C(=N/O)/C(=O)NCCSSCCNC(=O)/C(=N\\O)/CC2=CC(=C(C=C2)O)Br)Br)O	LMAFSGDNHVBIHU-HJTNQMAYSA-N
DG63564	N'-(2-Phenyl-2-((1-piperidinylcarbothioyl)hydrazono)ethylidene)-1-piperidinecarbothiohydrazide	6399993	NSC693328; N'-(2-Phenyl-2-((1-piperidinylcarbothioyl)hydrazono)ethylidene)-1-piperidinecarbothiohydrazide; N-[(E)-[(2E)-2-phenyl-2-(piperidine-1-carbothioylhydrazono)ethylidene]amino]piperidine-1-carbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693328	.	.	.	.	416.6	C20H28N6S2	119	573	3.8	28	2	4	4	"InChI=1S/C20H28N6S2/c27-19(25-12-6-2-7-13-25)23-21-16-18(17-10-4-1-5-11-17)22-24-20(28)26-14-8-3-9-15-26/h1,4-5,10-11,16H,2-3,6-9,12-15H2,(H,23,27)(H,24,28)/b21-16+,22-18-"	C1CCN(CC1)C(=S)N/N=C/C(=N/NC(=S)N2CCCCC2)/C3=CC=CC=C3	XRGYHCAZIJPKDQ-CBGMTOCYSA-N
DG63565	"Gold(1+),3,4,6-tetraacetato-S:S)]bis(triethylphosphine)di-, chloride"	6400213	"NSC313990; 74765-78-9; NSC-313990; Gold (1+),3,4,6-tetraacetato-S:S)]bis(triethylphosphine)di-, chloride; Gold(1+),3,4,6-tetraacetato-S:S)]bis(triethylphosphine)di-, chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	313990	.	.	.	.	995.6	C26H51Au2O9P2S+	115	676	.	40	0	10	16	"InChI=1S/C14H20O9S.2C6H15P.2Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;2*1-4-7(5-2)6-3;;/h10-14,24H,5H2,1-4H3;2*4-6H2,1-3H3;;/p+1"	CC[PH+](CC)CC.CC[PH+](CC)CC.CC(=O)OCC1C(C(C(C(O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au].[Au]	WIDYMGFHNKRNJY-UHFFFAOYSA-O
DG63566	3-Methoxy-6-methyl-4-nitropyridazine 1-oxide	6405305	3-methoxy-6-methyl-4-nitropyridazine 1-oxide; 4683-87-8; 3-methoxy-6-methyl-4-nitro-1-oxidopyridazin-1-ium; NCIOpen2_000140; SCHEMBL1169311; DTXSID20423338; NSC64798; ZINC1692105; NSC-64798; AKOS006274456; AC-907/25004561; 3-methoxy-6-methyl-4-nitropyridazin-1-ium-1-olate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	64798	.	.	.	.	185.14	C6H7N3O4	93.4	195	0	13	0	5	1	"InChI=1S/C6H7N3O4/c1-4-3-5(9(11)12)6(13-2)7-8(4)10/h3H,1-2H3"	CC1=CC(=C(N=[N+]1[O-])OC)[N+](=O)[O-]	QSZDOGLESFAOQS-UHFFFAOYSA-N
DG63567	"1-[5-[(E)-2-(4-dimethylaminophenyl)vinyl]-6-methyl-1,2,4-triazin-3-yl]-6-hydroxy-3-phenyl-2-thioxo-pyrimidin-4-one"	6412312	"NSC698031; CHEMBL2002555; CCG-35865; AKOS024278518; ZINC100253166; NSC-698031; 1-(5-(2-(4-(Dimethylamino)phenyl)vinyl)-6-methyl-1,2,4-triazin-3-yl)-6-hydroxy-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone; 1-[5-[(E)-2-(4-dimethylaminophenyl)vinyl]-6-methyl-1,2,4-triazin-3-yl]-6-hydroxy-3-phenyl-2-thioxo-pyrimidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698031	.	.	.	.	458.5	C24H22N6O2S	118	773	3.4	33	1	7	5	"InChI=1S/C24H22N6O2S/c1-16-20(14-11-17-9-12-18(13-10-17)28(2)3)25-23(27-26-16)30-22(32)15-21(31)29(24(30)33)19-7-5-4-6-8-19/h4-15,32H,1-3H3/b14-11+"	CC1=C(N=C(N=N1)N2C(=CC(=O)N(C2=S)C3=CC=CC=C3)O)/C=C/C4=CC=C(C=C4)N(C)C	JQBIFFJOXPOSFS-SDNWHVSQSA-N
DG63568	N'-(2-((1-Azepanylcarbothioyl)hydrazono)-1-methylpropylidene)-1-azepanecarbothiohydrazide	6413111	"NSC693321; CHEMBL1996859; NSC-693321; 2,3-Butanedione bis(4,4-hexamethylenethiosemicarbazone); N'-(2-((1-Azepanylcarbothioyl)hydrazono)-1-methylpropylidene)-1-azepanecarbothiohydrazide; N-[(Z)-[(2Z)-2-(azepane-1-carbothioylhydrazono)-1-methyl-propylidene]amino]azepane-1-carbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693321	.	.	.	.	396.6	C18H32N6S2	119	482	2.8	26	2	4	3	"InChI=1S/C18H32N6S2/c1-15(19-21-17(25)23-11-7-3-4-8-12-23)16(2)20-22-18(26)24-13-9-5-6-10-14-24/h3-14H2,1-2H3,(H,21,25)(H,22,26)/b19-15-,20-16-"	C/C(=N/NC(=S)N1CCCCCC1)/C(=N\\NC(=S)N2CCCCCC2)/C	IUBJLNZJBWCARU-IKBKFCNISA-N
DG63569	"6-Methyl-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,4-triazine-3-amine"	6413214	"NSC698035; CHEMBL1988015; NSC-698035; 6-methyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-1,2,4-triazin-3-amine; 6-Methyl-5-[2-(3,4,5-trimethoxyphenyl)-styryl]-1,2,4-triazin-3-ylamine; 6-Methyl-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,4-triazine-3-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698035	.	.	.	.	302.33	C15H18N4O3	92.4	355	1.5	22	1	7	5	"InChI=1S/C15H18N4O3/c1-9-11(17-15(16)19-18-9)6-5-10-7-12(20-2)14(22-4)13(8-10)21-3/h5-8H,1-4H3,(H2,16,17,19)/b6-5+"	CC1=C(N=C(N=N1)N)/C=C/C2=CC(=C(C(=C2)OC)OC)OC	UKQMNDGJNYOGOD-AATRIKPKSA-N
DG63570	"(16E)-16-hydroxyimino-13-methyl-3-(2-methylprop-2-enoxy)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one"	6414726	NSC97845; MLS002701946; NSC-97845; CHEMBL2006432	.	.	Investigative Drug(s)	Investigative	Small molecular drug	97845	.	.	.	.	353.5	C22H27NO3	58.9	627	5.2	26	1	4	3	"InChI=1S/C22H27NO3/c1-13(2)12-26-15-5-7-16-14(10-15)4-6-18-17(16)8-9-22(3)19(18)11-20(23-25)21(22)24/h5,7,10,17-19,25H,1,4,6,8-9,11-12H2,2-3H3/b23-20+"	CC(=C)COC1=CC2=C(C=C1)C3CCC4(C(C3CC2)C/C(=N\\O)/C4=O)C	YQICTZDGXWUAOK-BSYVCWPDSA-N
DG63571	"(16Z)-16-hydroxyimino-2,18-dimethyl-7-oxa-6,8-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,8-dien-17-one"	6416278	"NSC631059; (Z)-hydroxyimino(dimethyl)[ ]one; {16-Oximino-17-oxo-5-.beta.-androstano[3,4-c]-1',2',5'-} oxadiazole; 5a,7a-Dimethyl-5,5a,5b,6,7,7a,10,10a,10b,11,12,12a-dodecahydro-4H-cyclopenta[7,8]phenanthro[1,2-c][1,2,5]oxadiazole-8,9-dione 9-oxime"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631059	.	.	.	.	343.4	C19H25N3O3	88.6	637	3.2	25	1	6	0	"InChI=1S/C19H25N3O3/c1-18-8-6-14-16(22-25-21-14)12(18)4-3-10-11(18)5-7-19(2)13(10)9-15(20-24)17(19)23/h10-13,24H,3-9H2,1-2H3/b20-15-"	CC12CCC3=NON=C3C1CCC4C2CCC5(C4C/C(=N/O)/C5=O)C	KINBHFUHBUNAOF-HKWRFOASSA-N
DG63572	"N-(6-Methyl-5-(2-(3,4,5-trimethoxyphenyl)vinyl)-1,2,4-triazin-3-yl)-N'-phenylthiourea"	6418039	"NSC698029; CHEMBL1978249; ZINC12372636; AKOS024279372; NSC-698029; N-(6-Methyl-5-(2-(3,4,5-trimethoxyphenyl)vinyl)-1,2,4-triazin-3-yl)-N'-phenylthiourea; 1-[6-methyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-1,2,4-triazin-3-yl]-3-phenyl-thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698029	.	.	.	.	437.5	C22H23N5O3S	123	576	3.3	31	2	7	7	"InChI=1S/C22H23N5O3S/c1-14-17(11-10-15-12-18(28-2)20(30-4)19(13-15)29-3)24-21(27-26-14)25-22(31)23-16-8-6-5-7-9-16/h5-13H,1-4H3,(H2,23,24,25,27,31)/b11-10+"	CC1=C(N=C(N=N1)NC(=S)NC2=CC=CC=C2)/C=C/C3=CC(=C(C(=C3)OC)OC)OC	YMKWPSGAGJIMKZ-ZHACJKMWSA-N
DG63573	"4-[2-[2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4H-thiazol-2-yl]hydrazino]thiazol-4-yl]benzene-1,2-diol"	6418506	"NSC657593; CHEMBL1990844; ZINC16958326; NSC-657593; 4-(2-(2-(5-(1,3-Benzodioxol-5-ylmethylene)-4,5-dihydro-1,3-thiazol-2-yl)hydrazino)-1,3-thiazol-4-yl)-1,2-benzenediol; 4-[2-[2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4H-thiazol-2-yl]hydrazino]thiazol-4-yl]benzene-1,2-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657593	.	.	.	.	440.5	C20H16N4O4S2	162	681	4.1	30	4	9	5	"InChI=1S/C20H16N4O4S2/c25-15-3-2-12(7-16(15)26)14-9-29-20(22-14)24-23-19-21-8-13(30-19)5-11-1-4-17-18(6-11)28-10-27-17/h1-7,9,25-26H,8,10H2,(H,21,23)(H,22,24)/b13-5-"	C1/C(=C/C2=CC3=C(C=C2)OCO3)/SC(=N1)NNC4=NC(=CS4)C5=CC(=C(C=C5)O)O	UEGDLHFZAGTLQE-ACAGNQJTSA-N
DG63574	N-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]pyridin-2-amine	6418605	NSC693623; CHEMBL1986724; NSC-693623	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693623	.	.	.	.	275.31	C16H13N5	63.1	338	2.9	21	1	5	4	"InChI=1S/C16H13N5/c1-2-7-13(8-3-1)16(14-9-6-12-18-19-14)21-20-15-10-4-5-11-17-15/h1-12H,(H,17,20)/b21-16-"	C1=CC=C(C=C1)/C(=N/NC2=CC=CC=N2)/C3=NN=CC=C3	VPFCERLFGVKDAW-PGMHBOJBSA-N
DG63575	"4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]cinnoline"	6418734	NSC176656; CHEMBL1974645; NSC-176656	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176656	.	.	.	.	292.3	C18H16N2O2	44.2	374	3.4	22	0	4	4	"InChI=1S/C18H16N2O2/c1-21-17-10-8-13(11-18(17)22-2)7-9-14-12-19-20-16-6-4-3-5-15(14)16/h3-12H,1-2H3/b9-7+"	COC1=C(C=C(C=C1)/C=C/C2=CN=NC3=CC=CC=C32)OC	GQWZXIKBGQRNDI-VQHVLOKHSA-N
DG63576	Carboxyphthalato platinum	6419850	"NSC357092; CARBOXYPHTHALATO PLATINUM; Platinate(1-),2,4-benzenetricarboxylato(3-)-O1,O2)(1,2-cyclohexanediamine-N,N')-, hydrogen, (SP-4-3)-; Platinate(1-),2,4-benzenetricarboxylato(3-)-O1,O2](1,2-cyclohexanediamine-N,N')-, hydrogen, (SP-4-3)-; Platinate(1-),2,4-benzenetricarboxylato(3-)-O1,O2](1,2-cyclohexanediamine-N,N')-, hydrogen, [SP-4-3-(1R-trans)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	271674	.	.	.	.	517.4	C15H18N2O6Pt	114	438	.	24	5	8	1	"InChI=1S/C9H6O6.C6H12N2.Pt/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;7-5-3-1-2-4-6(5)8;/h1-3H,(H,10,11)(H,12,13)(H,14,15);5-8H,1-4H2;/q;-2;+2"	C1CCC(C(C1)[NH-])[NH-].C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O.[Pt+2]	IDNIKXCEUZXOCR-UHFFFAOYSA-N
DG63577	4-Methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine	6420138	"693228-63-6; CYC-116; CYC116; 4-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine; CHEMBL482967; 4-Methyl-5-(2-((4-morpholinophenyl)amino)-pyrimidin-4-yl)thiazol-2-amine; 4-methyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine; 4-(2-amino-4-methylthiazol-5-yl)-N-(4-morpholinophenyl)pyrimidin-2-amine; Kinome_636; CYC 116; 2uue; 2c5t; CYC-116(Antitumor); UNII-YAX4981K2D; MLS006011244; SCHEMBL2074998; YAX4981K2D; EX-A753; SYN1034; BCPP000273; HMS3244O11; HMS3244O12; HMS3244P11; HMS3654O14; AOB87301; BCP01887; ZINC3950132; BDBM50277583; MFCD14155805; NSC759498; NSC800082; s1171; 4-methyl-5-(2-((4-morpholinophenyl)amino)pyrimidin-4-yl)thiazol-2-amine; AKOS015897897; BCP9000562; CCG-264845; CS-0112; NSC-759498; NSC-800082; SB16587; NCGC00263204-01; NCGC00263204-10; AC-32833; AS-16201; HY-10558; SMR004703003; FT-0700350; SW219491-1; X7369; 228C636; A866869; J-515754; 2-[[4-Morpholinophenyl]amino]-4-(2-amino-4-methylthiazole-5-yl)pyrimidine; [4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-morpholin-4-yl-phenyl)-amine; 2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine, 5; 2-Pyrimidinamine,4-(2-amino-4-methyl-5-thiazolyl)-N-[4-(4-morpholinyl)phenyl]-; 4-(2-Amino-4-methyl-5-thiazolyl)-N-[4-(4-morpholinyl)phenyl]- 2-Pyrimidinamine; 4-(2-AMINO-4-METHYL-5-THIAZOLYL)-N-[4-(4-MORPHOLINYL)PHENYL]-2-PYRIMIDINAMINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759498	.	.	.	.	368.5	C18H20N6OS	117	443	2.6	26	2	8	4	"InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)"	CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4	GPSZYOIFQZPWEJ-UHFFFAOYSA-N
DG63578	Astrazon Pink FG	6433371	"Astrazon Pink FG; 3648-36-0; Basic Red 13; Genacryl Pink G; Astrazon Rose FG; Astrazone pink FG; Basic rose 2S; Cationic Pink 2S; Cationic Rose 2S; Cathilon Pink FGH; Aizen Cathilon Pink FG; Aizen Cathilon Pink FGH; Nabor Brilliant Pink 2B; C.I. Basic Red 13; ASTRAZONPINKFG; CI BASIC RED 13; C.I. 48015; Pink 2S; Nabor Brilliant Pink 28; NSC 4432; EINECS 222-887-5; AI3-22667; Astrazon Pink; CCRIS 9487; Stenacrile Pink G; ASTRAZON; SCHEMBL2323911; NSC4432; 190437-48-0; NSC-4432; MFCD00031747; AKOS024428977; MCULE-5006650548; 2-(2-(4-((2-Chloroethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium chloride; 3H-Indolium, 2-(2-(4-((2-chloroethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, chloride; 3H-INDOLIUM, 2-(p-((2-CHLOROETHYL)METHYLAMINO)STYRYL)-1,3,3-TRIMETHYL-, CHLORIDE; AS-56775; T304; A0867; (E)-2-(4-((2-Chloroethyl)(methyl)amino)styryl)-1,3,3-trimethyl-3H-indol-1-ium chloride; (E)-2-(4-((2-chloroethyl)(methyl)amino)styryl)-1,3,3-trimethyl-3H-indolium chloride; 2-(4-((2-Chloroethyl)(methyl)amino)styryl)-1,3,3-trimethyl-3H-indol-1-ium chloride; 2-(2-{4-[(2-chloroethyl)(methyl)amino]phenyl}ethenyl)-1,3,3-trimethyl-3H-indol-1-ium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4432	.	.	.	.	389.4	C22H26Cl2N2	6.2	514	.	26	0	2	5	"InChI=1S/C22H26ClN2.ClH/c1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;/h5-14H,15-16H2,1-4H3;1H/q+1;/p-1"	CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=CC=C(C=C3)N(C)CCCl)C)C.[Cl-]	ZTBANYZVKCGOKD-UHFFFAOYSA-M
DG63579	Stilbazium iodide	6433387	"STILBAZIUM IODIDE; Monopar; BW-61-32; 3784-99-4; UNII-YCI523M52V; B. W. 61-32; 2,6-Bis(p-1-pyrrolidinylstyryl)-1-ethylpyridinium iodide; YCI523M52V; NSC-89239; 1-Ethyl-2,6-bis(p-(1-pyrrolidinyl)styryl)pyridinium iodide; 1-Ethyl-2,6-bis(2-(4-(1-pyrrolidinyl)phenyl)ethenyl)pyridinium iodide; Stilbazii iodidum; Iodure de stilbazium; Ioduro de estilbazio; Stilbazii iodidum [INN-Latin]; Iodure de stilbazium [INN-French]; Ioduro de estilbazio [INN-Spanish]; Stilbazium iodide [USAN:INN:BAN]; EINECS 223-247-8; NSC 89239; 1-Ethyl-2,6-bis[p-(1-pyrrolidinyl)styryl]pyridinium iodide; BW 61-32; stilbaziumiodide; 1-Ethyl-2,6-bis[2-[4-(1-pyrrolidinyl)phenyl]ethenyl]pyridinium iodide; 1-Ethyl-2,6-bis-(p-pyrrolidinylstyryl)pyridinium iodide; Pyridinium, 1-ethyl-2,6-bis(p-1-pyrrolidinylstyryl)-, iodide; Pyridinium, 1-ethyl-2,6-bis(2-(4-(1-pyrrolidinyl)phenyl)ethenyl)-, iodide; SCHEMBL636481; Stilbazium iodide (USAN/INN); CHEMBL2105343; NSC89239; Pyridinium, 2,6-bis(2-(4-(1-pyrrolidinyl)phenyl)ethenyl)-1-ethyl-, iodide; BW 6132; BW-6132; D05926; Pyridinium,6-bis(p-1-pyrrolidinylstyryl)-, iodide; Pyridinium,6-bis(p-1-pyrrolidinylstyryl)--iodide; Q27294455; 1-Ethyl-2,6-bis(p-pyrrolidinylstyryl)pyridinium iodide; WLN: T6KJ A2 B1U1R D- AT5NTJ& F1U1R D- AT5NTJ &I; Pyridinium,6-bis[2-[4-(1-pyrrolidinyl)phenyl]ethenyl]-, iodide; Pyridinium, 1-ethyl-2,6-bis(p-1-pyrrolidinylstyryl)-, iodide (8CI); Pyridinium,6-bis[2-[4-(1-pyrrolidinyl)phenyl]ethenyl]-1-ethyl-, iodide; 1-ethyl-2,6-bis[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium;iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89239	.	.	.	.	577.5	C31H36IN3	10.4	590	.	35	0	3	7	"InChI=1S/C31H36N3.HI/c1-2-34-30(20-14-26-10-16-28(17-11-26)32-22-3-4-23-32)8-7-9-31(34)21-15-27-12-18-29(19-13-27)33-24-5-6-25-33;/h7-21H,2-6,22-25H2,1H3;1H/q+1;/p-1"	CC[N+]1=C(C=CC=C1/C=C/C2=CC=C(C=C2)N3CCCC3)/C=C/C4=CC=C(C=C4)N5CCCC5.[I-]	BYIRBDUHSVOFLU-UHFFFAOYSA-M
DG63580	"2-(p-Dimethylaminostyryl)-1-methylnaphtho(1,2-d)thiazolium iodide"	6433478	"2-(p-Dimethylaminostyryl)-1-methylnaphtho(1,2-d)thiazolium iodide; 6285-35-4; 2-(p-Dimethylaminostyryl)-naphtho(1,2-d)thiazole methiodide; N,N-dimethyl-4-[(E)-2-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)ethenyl]aniline;iodide; NSC 5551; NAPHTHO(1,2-d)THIAZOLIUM, 2-(p-DIMETHYLAMINOSTYRYL)-1-METHYL-, IODIDE; SCHEMBL7558506; SCHEMBL8390774; SCHEMBL8390784; NSC5551; NSC-5551; AKOS016373408; MCULE-5139658292; WLN: T B566 CK ESJ C1 D1U1R DN1&1 &I; Naphtho(1, 2-(p-dimethylaminostyryl)-1-methyl-, iodide; Naphtho[1, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-methyl-, iodide; Naphtho(1,2-d)thiazolium, 2-(2-(4-(dimethylamino)phenyl)ethenyl)-1-methyl-, iodide (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5551	.	.	.	.	472.4	C22H21IN2S	35.4	469	.	26	0	3	3	"InChI=1S/C22H21N2S.HI/c1-23(2)18-12-8-16(9-13-18)10-15-21-24(3)22-19-7-5-4-6-17(19)11-14-20(22)25-21;/h4-15H,1-3H3;1H/q+1;/p-1"	C[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)/C=C/C4=CC=C(C=C4)N(C)C.[I-]	IKAPOHKDZVIPFQ-UHFFFAOYSA-M
DG63581	Herbimycin a	6436247	"herbimycin a; 70563-58-5; Geldanamycin, 17-demethoxy-15-methoxy-11-O-methyl-, (15R)-; NSC305978; CHEMBL479533; AKOS034831543; [(2R,3S,5S,6R,7S,8E,10S,11S,12E,14E)-2,5,6,11-tetramethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate; (15R)-17-demethoxy-15-methoxy-11-O- methyl-geldanamycin; (15R)-17-demethoxy-15-methoxy-11-O-methyl-geldanamycin"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305978	.	.	.	.	574.7	C30H42N2O9	153	1150	1.8	41	2	9	6	"InChI=1S/C30H42N2O9/c1-16-10-9-11-23(37-5)28(41-30(31)36)18(3)12-17(2)27(40-8)24(38-6)13-19(4)26(39-7)21-14-20(33)15-22(25(21)34)32-29(16)35/h9-12,14-15,17,19,23-24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b11-9+,16-10+,18-12+/t17-,19-,23-,24-,26+,27+,28-/m0/s1"	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C/C=C(/C(=O)NC2=CC(=O)C=C([C@@H]1OC)C2=O)\\C)OC)OC(=O)N)\\C)C)OC)OC	MCAHMSDENAOJFZ-GDYSMBPZSA-N
DG63582	"Picolinaldehyde, 2-pyridylhydrazone"	6436327	"Picolinaldehyde, 2-pyridylhydrazone; 21945-37-9; 2-((2-(Pyridin-2-yl)hydrazono)methyl)pyridine; N-[(E)-pyridin-2-ylmethylideneamino]pyridin-2-amine; 2215-33-0; Pyridine-2-carbaldehyde-2-pyridylhydrazone; 2-Pyridinecarboxaldehyde 2-pyridylhydrazone; 2-Pyridinecarboxaldehyde, 2-pyridinylhydrazone; (E)-2-Pyridinecarbaldehyde (2-pyridyl)hydrazone; SCHEMBL8342118; ms0017509; NSC91513; NSC-91513; AKOS000357618; Pyridine-2-aldehyde 2-pyridylhydrazone; BS-46957; 1,3-bis(2'-pyridyl)-1,2-diaza-prop-2-ene; 2-Pyridinecarbaldehyde (Z)-(2-pyridyl)hydrazone; 2-Pyridinecarbaldehyde 2-pyridinylhydrazone, trans-; (E)-2-((2-(Pyridin-2-yl)hydrazono)methyl)pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	91513	.	.	.	.	198.22	C11H10N4	50.2	205	2.1	15	1	4	3	"InChI=1S/C11H10N4/c1-3-7-12-10(5-1)9-14-15-11-6-2-4-8-13-11/h1-9H,(H,13,15)/b14-9+"	C1=CC=NC(=C1)/C=N/NC2=CC=CC=N2	KYDLWVBNCQERCD-NTEUORMPSA-N
DG63583	"1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one"	6436750	"621-21-6; EINECS 210-672-9; BRN 2627089; AI3-08904; 1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one; 1,5-Bis(m-nitrophenyl)-1,4-pentadien-3-one; NSC3799; 1,4-Pentadien-3-one, 1,5-bis(m-nitrophenyl)-; 1,4-Pentadien-3-one, 1,5-bis(3-nitrophenyl)-; 2-07-00-00455 (Beilstein Handbook Reference); NSC 3799; NSC-3799; ZINC16892065"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3799	.	.	.	.	324.29	C17H12N2O5	109	486	3.8	24	0	5	4	"InChI=1S/C17H12N2O5/c20-17(9-7-13-3-1-5-15(11-13)18(21)22)10-8-14-4-2-6-16(12-14)19(23)24/h1-12H/b9-7-,10-8+"	C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)/C=C\\C2=CC(=CC=C2)[N+](=O)[O-]	ZPQURSDVJWZXLQ-FKJILZIQSA-N
DG63584	Pyridine-2-carboxaldehyde 2-quinolylhydrazone	6436860	"Pyridine-2-carboxaldehyde 2-quinolylhydrazone; 7385-99-1; Picolinaldehyde, 2-quinolylhydrazone; 2-Pyridinecarboxaldehyde, 2-quinolinylhydrazone; 2-Pyridylaldehyde 2-quinolylhydrazone; Pyridine-2-aldehyde-2-quinolylhydrazone; 2-Pyridinecarboxaldehyde 2-quinolylhydrazone; NSC693249; Picolinealdehyde-2-quinolylhydrazone; 2-Pyridinecarboxyaldehyde 2-quinolylhydrazone; NSC 527347; Pyridine-2-carbaldehyde 2-quinolylhydrazone; MLS003373856; 2-Pyridinecarboxaldehyde, 2-(2-quinolinyl)hydrazone; NSC-527347; SCHEMBL1164644; DTXSID2064654; ZINC4787540; CCG-54712; MFCD00014660; NSC527347; AKOS001075485; NSC-693249; 2-Pyridinecarbaldehyde 2-quinolinylhydrazone; pyridine-2-carbaldehyde quinolin-2-ylhydrazone; 2-Pyridinecarbaldehyde 2-quinolinylhydrazone #; N-[(E)-2-pyridylmethyleneamino]quinolin-2-amine; SR-01000643792-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	527347	.	.	.	.	248.28	C15H12N4	50.2	305	3.4	19	1	4	3	"InChI=1S/C15H12N4/c1-2-7-14-12(5-1)8-9-15(18-14)19-17-11-13-6-3-4-10-16-13/h1-11H,(H,18,19)/b17-11+"	C1=CC=C2C(=C1)C=CC(=N2)N/N=C/C3=CC=CC=N3	RQKUHYQNHJJIFO-GZTJUZNOSA-N
DG63585	2-Cyano-3-(1-phenylindol-3-yl)acrylate	6438504	"UK-5099; 56396-35-1; UK 5099; 2-Cyano-3-(1-phenylindol-3-yl)acrylate; 2-Cpiya; UK5099; 2-Cyano-3-(1-phenyl-1H-indol-3-yl)-2-propenoic acid; 2-Cyano-3-(1-phenyl-1H-indol-3-yl)-acrylic acid; (E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid; 2-Cyano-3-(1-phenyl-1H-indol-3-yl)acrylic acid; (E)-2-cyano-3-(1-phenyl-1H-indol-3-yl)acrylic acid; PF-1005023; 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)-; alpha-Cyano-beta-(1-phenylindol-3-yl)acrylate; CHEMBL4303684; SCHEMBL16620642; GTPL11302; AOB6943; BCPP000027; EX-A1928; 4139AH; NSC784390; s5317; ZINC33953893; AKOS024458020; ACN-032411; CCG-267359; CS-1048; NSC-784390; AS-63568; HY-15475; UK-5099, >=98% (HPLC); UK5099; PF-1005023; A12644; alpha-cyano-beta-(1-phenylindol-3-yl)-acrylate; 2-cyano-3-(1-phenyl-1H-indol-3-yl)prop-2-enoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	784390	.	.	.	.	288.3	C18H12N2O2	66	499	3.5	22	1	3	3	"InChI=1S/C18H12N2O2/c19-11-13(18(21)22)10-14-12-20(15-6-2-1-3-7-15)17-9-5-4-8-16(14)17/h1-10,12H,(H,21,22)/b13-10+"	C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)/C=C(\\C#N)/C(=O)O	BIZNHCWFGNKBBZ-JLHYYAGUSA-N
DG63586	Yuanhuacin	6440205	"Yuanhuacin; Yuanhuacine; Gnidilatidin; Odoracin; Yuanhuatie; 60195-70-2; Yuanhuacium ester A; Stillingia factor S(sub 6); Yuanhuacin A; YHL-14; CHEMBL3943353; SCHEMBL15730513; NSC270919; NSC 261422; NSC 270919; NSC-270919; Simplexin, 12-(benzoyloxy)-22,23,24,25-tetradehydro-, (12-beta,22E,24E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	270919	.	.	.	.	648.7	C37H44O10	144	1410	4.8	47	3	10	11	"InChI=1S/C37H44O10/c1-6-7-8-9-10-11-15-18-34-45-30-26-29-33(20-38,44-29)32(41)35(42)25(19-22(4)27(35)39)37(26,47-34)23(5)28(36(30,46-34)21(2)3)43-31(40)24-16-13-12-14-17-24/h10-19,23,25-26,28-30,32,38,41-42H,2,6-9,20H2,1,3-5H3/b11-10+,18-15+/t23-,25-,26+,28-,29+,30-,32-,33+,34 ,35-,36+,37+/m1/s1"	CCCCC/C=C/C=C/C12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)C7=CC=CC=C7)C)C=C(C6=O)C)O)O)CO	CGSGRJNIABXQJQ-CAAOHEDASA-N
DG63587	Ixabepilone	6445540	"Ixabepilone; Azaepothilone B; 219989-84-1; Ixempra; BMS-247550; Aza-epothilone B; Ixempra kit; BMS 247550-1; CHEBI:63605; BMS 247550-01; NSC-747973; BMS-247550-01; UNII-K27005NP0A; K27005NP0A; NSC747973; BMS 247550; (1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione; Ixempra (TN); Ixempra (TM); 16-Aza-epothilone B; SCHEMBL8386; Ixabepilone (JAN/USAN/INN); Ixabepilone [USAN:INN:JAN]; GTPL6824; SCHEMBL1890345; Ixabepilone (BMS-247550); CHEMBL1201752; CHEBI:95095; HSDB 7738; DTXSID70870252; EX-A1245; ZINC3993846; BDBM50564768; MFCD04307791; s7930; AKOS025401600; CCG-269752; CS-0551; DB04845; NSC 747973; NSC-710428; BMS 247550 (Epothilone B analogue); NCGC00378665-02; (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione; 17-oxa-4-azabicyclo(14.1.0)heptadecane-5,9-dione, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-((1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl)-, (1S,3S,7S,10R,11S,12S,16R)-; 1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-((1E)-1-methyl-2-(2-methylthiazol-4-yl)ethenyl)-17-oxa-4-azabicyclo(14.1.0)heptadecane-5,9-dione; AC-22618; HY-10222; QC-11860; X7258; D04645; AB01273979-01; 989I841; Azaepothilone B;BMS 247550;BMS 247550-1; SR-01000941577; J-014409; SR-01000941577-1; Q11711607; (1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-1,5,7,9,9-pentamethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-13-azabicyclo[14.1.0]heptadecane-8,12-dione; (1r,5s,6s,7r,10s,14s,16s)-6,10-dihydroxy-1,5,7,9,9-pentamethyl-14-[[e]-1-(2-methyl-1,3-thiazol-4-yl]prop-1-en-2-yl)-17-oxa-13-azabicyclo(14,1,0)heptadecane-8,12-dione; 7-Oxa-4-azabicyclo[14.1.0]heptadecane -5, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-, (1S,3S,7S,10R,11S,12S,16R)-; GZX"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747973	.	.	.	.	506.7	C27H42N2O5S	140	817	3.6	35	3	7	2	"InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1"	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	FABUFPQFXZVHFB-PVYNADRNSA-N
DG63588	Pelitinib	6445562	"Pelitinib; 257933-82-7; EKB-569; Pelitinib (EKB-569); WAY-EKB 569; EKB 569; UNII-X5DWL380Z6; WAY-EKB-569; (E)-N-(4-(3-chloro-4-fluorophenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide; 326894-84-2; (E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide; C24H23ClFN5O2; EKB569; X5DWL380Z6; (2E)-N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-2-butenamide; (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide; CHEBI:38927; (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide; MFCD09837868; (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide; (E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]-4-(dimethylamino)but-2-enamide; EKI-569; Pelitinib [USAN:INN]; EKI 569; (2E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide; (2e)-n-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide; 93J; Pelitinib (USAN/INN); Pelitinib - EKB-569; 2-Butenamide, (E)-,; SCHEMBL93756; SCHEMBL93757; MLS006010062; CHEMBL607707; GTPL7644; BDBM31090; cid_6445562; AOB2168; EX-A061; QCR-124; SYN1141; BCPP000118; BCPP000119; ZINC602803; BCP02376; NSC729742; NSC800841; s1392; AKOS005146343; CCG-264890; DB05524; NSC-729742; NSC-800841; WAY-172569; NCGC00263103-09; NCGC00263103-10; (E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-ethoxy-6-quinolyl]-4-(dimethylamino)but-2-enamide; AC-24700; AC-25029; AS-16280; HY-32718; SMR004701222; Pelitinib (EKB-569; WAY-EKB 569); P2529; SW219267-1; X7489; EC-000.2259; D05399; 933P827; A818030; Q-101404; BRD-K08799216-001-01-2; Q27088290; (2e)-n-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-2-butenamide          pelitinib; (2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-dimethylamino-2-butenamide; (E)-N-[3-Cyano-4-[(4-fluoro-3-chlorophenyl)amino]-7-ethoxyquinoline-6-yl]-4-(dimethylamino)-2-buteneamide; (E)-N-[4-(3-Chloro-4-fluoroanilino)-cyano-7-ethoxyquinolin-6-yl]-4-(dimethlyamino)but-2-enamide, (IUPAC); (E)-N-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-dimethylaminobut-2-enamide; 2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-, (2E)-; 3-Cyano-4-[(3-chloro-4-fluorophenyl)amino]-6-[[4-(N,N-dimethylamino)-1-oxo-2-buten-1-yl]amino]-7-ethoxyquinoline; 4-Dimethylaminobut-2-enoic Acid, [4-(3-Chloro-4-fluoro phenylamino)-3-cyano-7-ethoxyquinoline-6-yl]amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800841	.	.	.	.	467.9	C24H23ClFN5O2	90.3	729	4.5	33	2	7	8	"InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+"	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N
DG63589	"1-Methyl-2-(2-(2,4,6-trimethoxyphenyl)ethenyl)quinolinium iodide"	6448044	"1-Methyl-2-(2-(2,4,6-trimethoxyphenyl)ethenyl)quinolinium iodide; Quinolinium, 1-methyl-2-(2-(2,4,6-trimethoxyphenyl)ethenyl)-, iodide; NSC166675; NSC-166675; 110816-65-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166675	.	.	.	.	463.3	C21H22INO3	31.6	427	.	26	0	4	5	"InChI=1S/C21H22NO3.HI/c1-22-16(10-9-15-7-5-6-8-19(15)22)11-12-18-20(24-3)13-17(23-2)14-21(18)25-4;/h5-14H,1-4H3;1H/q+1;/p-1/b12-11+;"	C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=C(C=C(C=C3OC)OC)OC.[I-]	BSZCJECWUBRILW-CALJPSDSSA-M
DG63590	Hygrophylline	6449975	"Hygrophylline; (4Z)-4-ethylidene-5,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione; 3573-82-8; CHEMBL2003603; NSC129152; NSC-129152; Platynecine,4-dihydroxy-2,3-dimethylhexanedioate (ester); Senecionan-11, 1,2-dihydro-12,14-dihydroxy-, (1.alpha.,14.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129152	.	.	.	.	353.4	C18H27NO6	96.3	590	0.8	25	2	7	0	"InChI=1S/C18H27NO6/c1-4-12-15(20)10(2)18(3,23)17(22)24-9-11-5-7-19-8-6-13(14(11)19)25-16(12)21/h4,10-11,13-15,20,23H,5-9H2,1-3H3/b12-4-"	C/C=C\\1/C(C(C(C(=O)OCC2CCN3C2C(CC3)OC1=O)(C)O)C)O	FAFYHPIEFKLDSP-QCDXTXTGSA-N
DG63592	"1-Butanone, 1,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis(4-(dimethylamino)-, (E)-2-butenedioate (1:1)"	6450892	"56109-67-2; 1-Butanone, 1,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis(4-(dimethylamino)-, (E)-2-butenedioate (1:1); NSC292816; NSC 292816; 1-Butanone, 1,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis[4-(dimethylamino)-, (E)-2-butenedioate (1:1); 4-(dimethylamino)-1-[6-[4-(dimethylamino)butanoyl]-9-ethyl-carbazol-3-yl]butan-1-one; maleic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	292816	.	.	.	.	653.7	C34H43N3O10	195	674	.	47	4	12	15	"InChI=1S/C26H35N3O2.2C4H4O4/c1-6-29-23-13-11-19(25(30)9-7-15-27(2)3)17-21(23)22-18-20(12-14-24(22)29)26(31)10-8-16-28(4)5;2*5-3(6)1-2-4(7)8/h11-14,17-18H,6-10,15-16H2,1-5H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-"	CCN1C2=C(C3=C1C=CC(=C3)C(=O)CCCN(C)C)C=C(C=C2)C(=O)CCCN(C)C.C(=C\\C(=O)O)\\C(=O)O.C(=C\\C(=O)O)\\C(=O)O	FDNBDLVWLOTIQH-SPIKMXEPSA-N
DG63593	NSC647248	6474143	"N-[(Z)-2-[4-[(Z)-2-benzamido-3-(2-carbamothioylhydrazino)-3-oxo-prop-1-enyl]phenyl]-1-[(carbamothioylamino)carbamoyl]vinyl]benzamide; NSC647248; CHEMBL1981175; ZINC73390315; NSC-647248; N,N'-(1,4-Phenylenebis{(1Z)-3-[2-(aminocarbonothioyl)hydrazino]-3-oxoprop-1-ene-1,2-diyl})dibenzamide; N-[(Z)-2-[4-[(Z)-2-benzamido-3-(2-carbamothioylhydrazino)-3-oxo-prop-1-enyl]phenyl]-1-[(carbamothioylamino)carbamoyl]vinyl]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647248	.	.	.	.	602.7	C28H26N8O4S2	257	992	2.5	42	8	6	8	"InChI=1S/C28H26N8O4S2/c29-27(41)35-33-25(39)21(31-23(37)19-7-3-1-4-8-19)15-17-11-13-18(14-12-17)16-22(26(40)34-36-28(30)42)32-24(38)20-9-5-2-6-10-20/h1-16H,(H,31,37)(H,32,38)(H,33,39)(H,34,40)(H3,29,35,41)(H3,30,36,42)/b21-15-,22-16-"	C1=CC=C(C=C1)C(=O)N/C(=C\\C2=CC=C(C=C2)/C=C(\\NC(=O)C3=CC=CC=C3)/C(=O)NNC(=S)N)/C(=O)NNC(=S)N	MVPRQODAEHJIRO-BMJUYKDLSA-N
DG63594	NSC333856	6474412	"sodium;(6S,7Z,11E,16R,21S,22R)-17-[5-acetyloxy-4-[5-[4-hydroxy-5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-formyl-5-hydroxy-9-[5-(methoxycarbonylamino)-4,6-dimethyl-4-nitrooxan-2-yl]oxy-8,12,18,20,22-pentamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-3,7,11,14,23-pentaen-23-olate; NSC333856; [6-[formyl-dihydroxy-[5-(methoxycarbonylamino)-4,6-dimethyl-4-nitro-tetrahydropyran-2-yl]oxy-pentamethyl-dioxo-[ ]yl]oxy-4-[5-[4-hydroxy-5-(5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-2-methyl-tetrahydropyran-3-yl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	333856	.	.	.	.	1335.5	C67H95N2NaO24	347	2960	.	94	4	24	15	"InChI=1S/C67H96N2O24.Na/c1-30-14-18-47(88-54-28-65(11,69(79)80)60(38(9)86-54)68-64(78)81-13)31(2)23-43-45(73)24-40(29-70)27-67(43)62(76)55(63(77)93-67)61(75)66(12)42(30)16-15-41-56(66)32(3)22-33(4)57(41)92-53-26-49(59(37(8)85-53)87-39(10)71)90-50-21-19-48(35(6)83-50)89-52-25-46(74)58(36(7)84-52)91-51-20-17-44(72)34(5)82-51;/h14-16,23-24,29,32-38,41-54,56-60,72-75H,17-22,25-28H2,1-13H3,(H,68,78);/q;+1/p-1/b30-14+,31-23-,61-55 ;/t32 ,33 ,34 ,35 ,36 ,37 ,38 ,41-,42 ,43+,44 ,45 ,46 ,47 ,48 ,49 ,50 ,51 ,52 ,53 ,54 ,56+,57 ,58 ,59 ,60 ,65 ,66+,67 ;/m1./s1"	CC1CC(C([C@H]2[C@H]1[C@@]3(C(C=C2)/C(=C/CC(/C(=C\\[C@H]4C(C=C(CC45C(=O)C(=C3[O-])C(=O)O5)C=O)O)/C)OC6CC(C(C(O6)C)NC(=O)OC)(C)[N+](=O)[O-])/C)C)OC7CC(C(C(O7)C)OC(=O)C)OC8CCC(C(O8)C)OC9CC(C(C(O9)C)OC1CCC(C(O1)C)O)O)C.[Na+]	ABAKGPVBJCEZQN-AJPLPWOASA-M
DG63595	"Benzothiazolium, 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-, iodide"	6474466	"NSC662424; SCHEMBL8387879; CHEMBL1990403; 20064-83-9; NSC10526; NSC-10526; AKOS001032237; MCULE-8430696346; NSC-662424; Benzothiazolium, 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-, iodide; 2-(4-N-N-Dimethylaminostyryl)-3-methyl Iodide; N,N-dimethyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]aniline hydroiodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662424	.	.	.	.	422.3	C18H19IN2S	35.4	360	.	22	0	3	3	"InChI=1S/C18H19N2S.HI/c1-19(2)15-11-8-14(9-12-15)10-13-18-20(3)16-6-4-5-7-17(16)21-18;/h4-13H,1-3H3;1H/q+1;/p-1"	C[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)C.[I-]	ISQZSFZTDBJRBP-UHFFFAOYSA-M
DG63596	"1-(3,4-Dichlorophenyl)-4,4-dimethyl-5-(1-piperidinyl)pent-1-en-3-one hydrochloride"	6474493	"NSC640682; CHEMBL1968345; NSC-640682; (E)-1-(3,4-dichlorophenyl)-4,4-dimethyl-5-(1-piperidyl)pent-1-en-3-one; 1-(3,4-dichlorophenyl)-4,4-dimethyl-5-(1-piperidinyl)pent-1-en-3-one hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640682	.	.	.	.	376.7	C18H24Cl3NO	20.3	402	.	23	1	2	5	"InChI=1S/C18H23Cl2NO.ClH/c1-18(2,13-21-10-4-3-5-11-21)17(22)9-7-14-6-8-15(19)16(20)12-14;/h6-9,12H,3-5,10-11,13H2,1-2H3;1H/b9-7+;"	CC(C)(CN1CCCCC1)C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl.Cl	XORDGCNYEYBAGN-BXTVWIJMSA-N
DG63597	"(E)-1-(4-methoxyphenyl)-4,4-dimethyl-5-(1-piperidyl)pent-1-en-3-one"	6474494	"NSC640683; CHEMBL1991310; NSC-640683; 1-(4-Methoxyphenyl)-4,4-dimethyl-5-(1-piperidino)pent-1-en-3-one hydrochloride; (E)-1-(4-methoxyphenyl)-4,4-dimethyl-5-(1-piperidyl)pent-1-en-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640683	.	.	.	.	337.9	C19H28ClNO2	29.5	375	.	23	1	3	6	"InChI=1S/C19H27NO2.ClH/c1-19(2,15-20-13-5-4-6-14-20)18(21)12-9-16-7-10-17(22-3)11-8-16;/h7-12H,4-6,13-15H2,1-3H3;1H/b12-9+;"	CC(C)(CN1CCCCC1)C(=O)/C=C/C2=CC=C(C=C2)OC.Cl	ZBJYOBKCXSSIRU-NBYYMMLRSA-N
DG63598	Cutisone	6474556	"Cutisone; 4-Isopropylbenzaldehyde thiosemicarbazone; 3811-20-9; UNII-OYK5BEX6CF; Cuminaldehyde thiosemicarbazone; OYK5BEX6CF; NSC-9936; NSC-19718; p-Isopropylbenzaldehyde thiosemicarbazone; [(E)-(4-propan-2-ylphenyl)methylideneamino]thiourea; Cutosone; Kutizon; p-Isopropylbenzaldehyde 3-thiosemicarbazone; CHEMBL242106; Cutizon; Hydrazinecarbothioamide, 2-((4-(1-methylethyl)phenyl)methylene)-; Hydrazinecarbothioamide, 2-[[4-(1-methylethyl)phenyl]methylene]-; 4-isopropyl-benzaldehyde-thiosemicarbazone; Cuminaldehyde thiosemicarbazone [MI]; SCHEMBL1804234; SCHEMBL1804235; DTXSID60424283; NSC9936; HMS1577H18; NSC19718; BDBM50277703; STK074752; ZINC32311575; AKOS000485261; SR-01000198137; SR-01000198137-1; (2E)-2-[4-(propan-2-yl)benzylidene]hydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9936	.	.	.	.	221.32	C11H15N3S	82.5	230	3	15	2	2	3	"InChI=1S/C11H15N3S/c1-8(2)10-5-3-9(4-6-10)7-13-14-11(12)15/h3-8H,1-2H3,(H3,12,14,15)/b13-7+"	CC(C)C1=CC=C(C=C1)/C=N/NC(=S)N	GCIARVDJUYGSFQ-NTUHNPAUSA-N
DG63599	N-[4-(1H-inden-1-ylidenemethyl)phenyl]guanidine	6474733	NSC112849; MLS002706480; CHEMBL1887373; ZINC18054087; NSC-112849; NCGC00186258-01; NCGC00186258-02; NCGC00186258-03; NCGC00186258-04; NCGC00186258-05; NCGC00186258-06; AT-051/43422431; N-[4-(1H-inden-1-ylidenemethyl)phenyl]guanidine; 1-[4-[(E)-inden-1-ylidenemethyl]phenyl]guanidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112849	.	.	.	.	261.32	C17H15N3	64.4	424	2.8	20	2	1	2	"InChI=1S/C17H15N3/c18-17(19)20-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)14/h1-11H,(H4,18,19,20)/b14-11+"	C1=CC=C\\2C(=C1)C=C/C2=C\\C3=CC=C(C=C3)N=C(N)N	BOGIJBDMOQJRFY-SDNWHVSQSA-N
DG63600	Isoacteoside	6476333	"Isoacteoside; 61303-13-7; isoverbascoside; UNII-588LJK42AP; 588LJK42AP; [(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; Isoacetoside; iso-acteoside; Acteoside isomer; Verbascoside,(S); [(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; CHEMBL504873; HY-N0022; BDBM50386896; MFCD06798947; NSC729649; s9128; ZINC49898792; AKOS037514697; CCG-270268; NSC 729649; NSC-729649; W2067; 303I137; Q-100709; Q27261572; (E)-((2R,3R,4S,5R,6R)-6-(3,4-dihydroxyphenethoxy)-3,5-dihydroxy-4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)tetrahydro-2H-pyran-2-yl)methyl 3-(3,4-dihydroxyphenyl)acrylate; .beta.-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-.alpha.-L-mannopyranosyl)-6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-; 1-O-[2-(3,4-Dihydroxyphenyl)ethyl]-3-O-(3alpha,4alpha,5beta-trihydroxy-6alpha-methyltetrahydro-2H-pyran-2beta-yl)-6-O-[3-(3,4-dihydroxyphenyl)acryloyl]-beta-D-glucopyranose; 2-(3',4'-dihydroxyphenyl)ethyl 6-O-caffeoyl-3-O-(alpha-l-rhamnopyranosyl)-beta-d-glucopyranoside; beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 6-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729649	.	.	.	.	624.6	C29H36O15	245	936	-0.5	44	9	15	11	"InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1"	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O	FNMHEHXNBNCPCI-QEOJJFGVSA-N
DG63601	"(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1,1-dioxothian-4-one"	6477008	"MLS002702016; NSC144303; SMR001565591; CHEMBL1703892; BDBM81246; cid_6477008; (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1,1-dioxothian-4-one; CCG-36202; ZINC31719235; (3E,5E)-1,1-diketo-3,5-bis(4-nitrobenzylidene)thian-4-one; (3E,5E)-3,5-bis[(4-nitrophenyl)methylene]-1,1-dioxo-thian-4-one; (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1,1-dioxo-4-thianone; 4H-Thiopyran-4-one,5-bis[(4-nitrophenyl)methylene]-, 1,1-dioxide; (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1,1-bis(oxidanylidene)thian-4-one; 3,5-Bis(4-(hydroxy(oxido)amino)benzylidene)tetrahydro-4H-thiopyran-4-one 1,1-dioxide; 4H-Thiopyran-4-one, {tetrahydro-3,5-bis[(4-nitrophenyl)methylene]-,} 1,1-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144303	.	.	.	.	414.4	C19H14N2O7S	151	767	2.6	29	0	7	2	"InChI=1S/C19H14N2O7S/c22-19-15(9-13-1-5-17(6-2-13)20(23)24)11-29(27,28)12-16(19)10-14-3-7-18(8-4-14)21(25)26/h1-10H,11-12H2/b15-9-,16-10-"	C\\1S(=O)(=O)C/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)/C1=C\\C3=CC=C(C=C3)[N+](=O)[O-]	SSAMIOWVUGBIJK-VULZFCBJSA-N
DG63602	"3,5-Bis(3,4-dimethoxybenzylidene)tetrahydro-4H-thiopyran-4-one"	6477009	"NSC144310; ZINC18085149; 3,5-Bis(3,4-dimethoxybenzylidene)tetrahydro-4H-thiopyran-4-one; (3E,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylene]tetrahydrothiopyran-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144310	.	.	.	.	412.5	C23H24O5S	79.3	566	4.1	29	0	6	6	"InChI=1S/C23H24O5S/c1-25-19-7-5-15(11-21(19)27-3)9-17-13-29-14-18(23(17)24)10-16-6-8-20(26-2)22(12-16)28-4/h5-12H,13-14H2,1-4H3/b17-9-,18-10+"	COC1=C(C=C(C=C1)/C=C/2\\CSC/C(=C/C3=CC(=C(C=C3)OC)OC)/C2=O)OC	SXZBYUVSZLNKJM-BUOZRGFLSA-N
DG63603	NSC624482	6477038	"(3E)-4-hydroxy-3-[2-[3-[2-(1-hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,6'-oxane]-3'-yl)ethyl]-2,2-dimethyl-6-methylidenecyclohexyl]ethylidene]oxolan-2-one; Saponaceolide A; NSC624482; (3E)-4-hydroxy-3-[2-[3-[2-(4-hydroxy-1,3,3-trimethyl-spiro[2,5-dioxabicyclo[2.2.2]octane-6,6'-tetrahydropyran]-3'-yl)ethyl]-2,2-dimethyl-6-methylene-cyclohexyl]ethylidene]tetrahydrofuran-2-one; 2(3H)-Furanone, 3-[2-[2,2-dimethyl-6-methylene-3-[2-(tetrahydro-1-hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,2'-[2H]pyran]-5'-yl)ethyl]cyclohexyl]ethylidene]dihydro-4-hydroxy-, (3E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624482	.	.	.	.	518.7	C30H46O7	94.4	969	3.9	37	2	7	5	"InChI=1S/C30H46O7/c1-19-7-9-21(26(2,3)23(19)12-11-22-24(31)18-34-25(22)32)10-8-20-13-14-30(35-17-20)28(6)15-16-29(33,37-30)27(4,5)36-28/h11,20-21,23-24,31,33H,1,7-10,12-18H2,2-6H3/b22-11+"	CC1(C(CCC(=C)C1C/C=C/2\\C(COC2=O)O)CCC3CCC4(C5(CCC(O4)(C(O5)(C)C)O)C)OC3)C	XBFKDCJZZMKUOR-SSDVNMTOSA-N
DG63604	NSC640080	6477148	"3-[4-[(Z)-[2-(2-chloro-5-nitro-phenyl)-1-(4-methoxyphenyl)-5-oxo-imidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methyl-anilino]propanenitrile; NSC640080; CHEMBL1998249; ZINC1626198; NSC-640080; 1H-Imidazole-5-one,5-dihydro-1-(4-methoxyphenyl)-; 3-[4-[(Z)-[2-(2-chloro-5-nitro-phenyl)-1-(4-methoxyphenyl)-5-oxo-imidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methyl-anilino]propanenitrile; Propanenitrile, 3,3'-[[4-[(Z)-[2-(2-chloro-5-nitrophenyl)-1,5-dihydro-1-(4-methoxyphenyl)-5-oxo-4H-imidazol-4-ylidene]methyl]-3-methylphenyl]imino]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640080	.	.	.	.	569	C30H25ClN6O4	139	1090	5	41	0	8	9	"InChI=1S/C30H25ClN6O4/c1-20-17-23(35(15-3-13-32)16-4-14-33)6-5-21(20)18-28-30(38)36(22-7-10-25(41-2)11-8-22)29(34-28)26-19-24(37(39)40)9-12-27(26)31/h5-12,17-19H,3-4,15-16H2,1-2H3/b28-18-"	CC1=C(C=CC(=C1)N(CCC#N)CCC#N)/C=C\\2/C(=O)N(C(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)OC	RCIVNQFJYXHCEQ-VEILYXNESA-N
DG63605	NSC640081	6477149	"3-[4-[(Z)-[2-(2-chloro-5-nitro-phenyl)-1-(3-chlorophenyl)-5-oxo-imidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methyl-anilino]propanenitrile; NSC640081; CHEMBL1967251; NSC-640081; 3-[4-[(Z)-[2-(2-chloro-5-nitro-phenyl)-1-(3-chlorophenyl)-5-oxo-imidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methyl-anilino]propanenitrile; Propanenitrile, 3,3'-[[4-[(Z)-[2-(2-chloro-5-nitrophenyl)-1-(3-chlorophenyl)-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene]methyl]-3-methylphenyl]imino]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640081	.	.	.	.	573.4	C29H22Cl2N6O3	129	1080	5.7	40	0	7	8	"InChI=1S/C29H22Cl2N6O3/c1-19-15-22(35(13-3-11-32)14-4-12-33)8-7-20(19)16-27-29(38)36(23-6-2-5-21(30)17-23)28(34-27)25-18-24(37(39)40)9-10-26(25)31/h2,5-10,15-18H,3-4,13-14H2,1H3/b27-16-"	CC1=C(C=CC(=C1)N(CCC#N)CCC#N)/C=C\\2/C(=O)N(C(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC(=CC=C4)Cl	DYQKZIIDINFTMG-YUMHPJSZSA-N
DG63606	Dimethylcurcumin	6477182	"Dimethylcurcumin; ASC-J9; 52328-98-0; (1E,4Z,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one; 917813-54-8; ASCJ-9; 1,7-Bis-(3,4-dimethoxy-phenyl)-5-hydroxy-hepta-1,4,6-trien-3-one; 1,7-Bis-(3,4-dimethoxyphenyl)-5-hydroxy-hepta-1,4,6-trien-3-one; GO-Y-025; Go-Y025; (1E,4E,6E)-1,7-Bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one; Dimethylcurcumin (ASC-J9); GO-Y025ASC-J9; SCHEMBL3487103; CHC-004; DTXSID10200352; EX-A927; AMY15692; 3454AH; MFCD12912341; MFCD22123809; NSC734923; s6630; AKOS015891371; AKOS025311328; ZINC100007120; CS-0533; DB06133; LS40141; NSC-734923; 1,4,6-Heptatrien-3-one, 1,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-, (1E,4Z,6E)--; 1,4,6-Heptatrien-3-one, 1,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-, (Z,E,E)-; AC-31058; AS-82881; DS-14720; HY-15194; ASC-J9,CAS:52328-98-0; W9512; J3.606.945G; GO-Y025; Dimethylcurcumin; ASC J9; GO Y025; 1, 4-dimethoxyphenyl)-1, 6-heptadiene-3,5-dione; (1E,6E)-1,7-Bis(3,4-dimethoxyphenyl)-5-hydroxy-1,4,6-heptatriene-3-one; 1,7-Bis-(3,4-dimethoxy-phenyl)- 5-hydroxy-hepta-1,4,6-trien-3-one; (1E,4Z,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-1,4,6-heptatrien-3-one; (1E,4Z,6E)-1,7-Bis(3,4-dimethoxyphenyl)-5-hydroxy-1,4,6-heptatriene-3-one; (1E,4Z,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-hepta-1,4,6-trien-3-one; 115851-85-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734923	.	.	.	.	396.4	C23H24O6	74.2	596	4.6	29	1	6	9	"InChI=1S/C23H24O6/c1-26-20-11-7-16(13-22(20)28-3)5-9-18(24)15-19(25)10-6-17-8-12-21(27-2)23(14-17)29-4/h5-15,24H,1-4H3/b9-5+,10-6+,18-15-"	COC1=C(C=C(C=C1)/C=C/C(=C/C(=O)/C=C/C2=CC(=C(C=C2)OC)OC)/O)OC	ZMGUKFHHNQMKJI-CIOHCNBKSA-N
DG63607	N-(2-(4-(Bis(2-cyanoethyl)amino)phenyl)-1-((4-methoxyanilino)carbonyl)vinyl)-2-chloro-5-(hydroxy(oxido)amino)benzamide	6477309	NSC642581; CHEMBL1986498; ZINC5732610; NSC-642581; N-(2-(4-(Bis(2-cyanoethyl)amino)phenyl)-1-((4-methoxyanilino)carbonyl)vinyl)-2-chloro-5-(hydroxy(oxido)amino)benzamide; N-[(Z)-2-[4-[bis(2-cyanoethyl)amino]phenyl]-1-[(4-methoxyphenyl)carbamoyl]vinyl]-2-chloro-5-nitro-benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642581	.	.	.	.	573	C29H25ClN6O5	164	1010	4.2	41	2	8	11	"InChI=1S/C29H25ClN6O5/c1-41-24-11-6-21(7-12-24)33-29(38)27(34-28(37)25-19-23(36(39)40)10-13-26(25)30)18-20-4-8-22(9-5-20)35(16-2-14-31)17-3-15-32/h4-13,18-19H,2-3,16-17H2,1H3,(H,33,38)(H,34,37)/b27-18-"	COC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)N(CCC#N)CCC#N)/NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl	XXCJOKJQHIQDTH-IMRQLAEWSA-N
DG63608	Triethyl-o-bromo-alpha-phosphono-cinnamate	6477312	NSC643019; Triethyl-o-bromo-.alpha.-phosphono-cinnamate; SCHEMBL8846238; SCHEMBL8846248; CHEMBL1991470; NSC-643019; Ethyl 3-(2-bromophenyl)-2-(diethoxyphosphoryl)acrylate; ethyl (Z)-3-(2-bromophenyl)-2-diethoxyphosphoryl-prop-2-enoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643019	.	.	.	.	391.19	C15H20BrO5P	61.8	428	3.3	22	0	5	9	"InChI=1S/C15H20BrO5P/c1-4-19-15(17)14(22(18,20-5-2)21-6-3)11-12-9-7-8-10-13(12)16/h7-11H,4-6H2,1-3H3/b14-11-"	CCOC(=O)/C(=C/C1=CC=CC=C1Br)/P(=O)(OCC)OCC	PUTFGWYYLOSCIJ-KAMYIIQDSA-N
DG63609	3-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-2-(cinnamoylamino)acrylamide	6477344	NSC645674; ZINC17213880; NSC-645674; 3-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-2-(cinnamoylamino)acrylamide; (Z)-3-[4-[bis(2-cyanoethyl)amino]-2-methyl-phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645674	.	.	.	.	427.5	C25H25N5O2	123	774	2.6	32	2	5	10	"InChI=1S/C25H25N5O2/c1-19-17-22(30(15-5-13-26)16-6-14-27)11-10-21(19)18-23(25(28)32)29-24(31)12-9-20-7-3-2-4-8-20/h2-4,7-12,17-18H,5-6,15-16H2,1H3,(H2,28,32)(H,29,31)/b12-9+,23-18-"	CC1=C(C=CC(=C1)N(CCC#N)CCC#N)/C=C(/C(=O)N)\\NC(=O)/C=C/C2=CC=CC=C2	WKVVCKSPVDUDAC-MUXFZUAMSA-N
DG63610	(Z)-3-[4-[bis(2-cyanoethyl)amino]-2-methyl-phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl azide	6477346	"NSC645676; CHEMBL1995118; NSC-645676; (Z)-3-[4-[bis(2-cyanoethyl)amino]-2-methyl-phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl azide; N-(2-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-1-(2.lambda.~5~-1,2-triazadienylcarbonyl)vinyl)-3-phenylacrylamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645676	.	.	.	.	453.5	C25H23N7O2	111	890	4.5	34	1	6	10	"InChI=1S/C25H23N7O2/c1-19-17-22(32(15-5-13-26)16-6-14-27)11-10-21(19)18-23(25(34)30-31-28)29-24(33)12-9-20-7-3-2-4-8-20/h2-4,7-12,17-18H,5-6,15-16H2,1H3,(H,29,33)/b12-9+,23-18-"	CC1=C(C=CC(=C1)N(CCC#N)CCC#N)/C=C(/C(=O)N=[N+]=[N-])\\NC(=O)/C=C/C2=CC=CC=C2	RSYFJEWJQQXHQH-MUXFZUAMSA-N
DG63611	S-Phenyl 3-(4-(bis(2-cyanoethyl)amino)-2-methylphenyl)-2-(cinnamoylamino)-3-(phenylthio)-2-propenethioate	6477347	NSC645678; CHEMBL1968996; ZINC73295469; NSC-645678; S-phenyl (E)-3-[4-[bis(2-cyanoethyl)amino]-2-methyl-phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]-3-phenylsulfanyl-prop-2-enethioate; S-Phenyl 3-(4-(bis(2-cyanoethyl)amino)-2-methylphenyl)-2-(cinnamoylamino)-3-(phenylthio)-2-propenethioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645678	.	.	.	.	628.8	C37H32N4O2S2	148	1100	7.5	45	1	7	14	"InChI=1S/C37H32N4O2S2/c1-28-27-30(41(25-11-23-38)26-12-24-39)20-21-33(28)36(44-31-15-7-3-8-16-31)35(37(43)45-32-17-9-4-10-18-32)40-34(42)22-19-29-13-5-2-6-14-29/h2-10,13-22,27H,11-12,25-26H2,1H3,(H,40,42)/b22-19+,36-35+"	CC1=C(C=CC(=C1)N(CCC#N)CCC#N)/C(=C(/C(=O)SC2=CC=CC=C2)\\NC(=O)/C=C/C3=CC=CC=C3)/SC4=CC=CC=C4	ISKZJAMQSKIRFW-IZBGKCANSA-N
DG63612	NSC652051	6477375	"(2Z)-5-amino-8-(1H-benzimidazol-2-yl)-7-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylene]-3-oxo-7H-thiazolo[3,2-a]pyridine-6-carbonitrile; NSC652051; CHEMBL1972837; NSC-652051; (2Z)-5-amino-8-(1H-benzimidazol-2-yl)-7-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylene]-3-oxo-7H-thiazolo[3,2-a]pyridine-6-carbonitrile; 5-Amino-8-(1H-benzimidazol-2-yl)-2-(4-methoxybenzylidene)-7-(4-methoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652051	.	.	.	.	533.6	C30H23N5O3S	143	1110	4.9	39	2	7	5	"InChI=1S/C30H23N5O3S/c1-37-19-11-7-17(8-12-19)15-24-29(36)35-27(32)21(16-31)25(18-9-13-20(38-2)14-10-18)26(30(35)39-24)28-33-22-5-3-4-6-23(22)34-28/h3-15,25H,32H2,1-2H3,(H,33,34)/b24-15-"	COC1=CC=C(C=C1)/C=C\\2/C(=O)N3C(=C(C(C(=C3S2)C4=NC5=CC=CC=C5N4)C6=CC=C(C=C6)OC)C#N)N	FJKACYYBWYGIEO-IWIPYMOSSA-N
DG63613	"Ethyl 4,4,4-trifluoro-3-((triphenylphosphoranylidene)amino)-2-butenoate"	6477458	"NSC667648; CHEMBL1971627; NSC-667648; Ethyl 4,4,4-trifluoro-3-((triphenylphosphoranylidene)amino)-2-butenoate; ethyl (E)-4,4,4-trifluoro-3-[(triphenyl-$l^{5}-phosphanylidene)amino]but-2-enoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667648	.	.	.	.	443.4	C24H21F3NO2P	38.7	619	6.2	31	0	6	7	"InChI=1S/C24H21F3NO2P/c1-2-30-23(29)18-22(24(25,26)27)28-31(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3/b22-18+"	CCOC(=O)/C=C(\\C(F)(F)F)/N=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3	MJJHLXYIDMFAIB-RELWKKBWSA-N
DG63614	"ethyl (E)-2-cyano-3-[5'-ethyl-6'-(1-hydroxyethyl)-2,2'-spirobi[1,3-dihydroindene]-5-yl]prop-2-enoate"	6477478	"NSC670289; CHEMBL1990570; NSC-670289; 2-Propenoic acid, 2-cyano-3-[5'-ethyl-1,1',3,3'-tetrahydro-6'-(1-hydroxyethyl)-2,2'-spirobi[2H-inden]-5-yl]-, ethyl ester, (2E)-; ethyl (E)-2-cyano-3-[5'-ethyl-6'-(1-hydroxyethyl)-2,2'-spirobi[indane]-5-yl]prop-2-enoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670289	.	.	.	.	415.5	C27H29NO3	70.3	751	5.2	31	1	4	6	"InChI=1S/C27H29NO3/c1-4-19-10-22-14-27(15-23(22)11-25(19)17(3)29)12-20-7-6-18(8-21(20)13-27)9-24(16-28)26(30)31-5-2/h6-11,17,29H,4-5,12-15H2,1-3H3/b24-9+"	CCC1=C(C=C2CC3(CC4=C(C3)C=C(C=C4)/C=C(\\C#N)/C(=O)OCC)CC2=C1)C(C)O	LOHWDPFXGRHSDR-PGGKNCGUSA-N
DG63615	methyl 2-methyl-6-[(Z)-(4-methyl-1-oxo-indan-2-ylidene)methyl]benzoate	6477493	"NSC677055; CHEMBL1998124; NSC-677055; methyl 2-methyl-6-[(Z)-(4-methyl-1-oxo-indan-2-ylidene)methyl]benzoate; Methyl 2-methyl-6-((4-methyl-1-oxo-1,3-dihydro-2H-inden-2-ylidene)methyl)benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677055	.	.	.	.	306.4	C20H18O3	43.4	507	4.4	23	0	3	3	"InChI=1S/C20H18O3/c1-12-6-5-9-16-17(12)11-15(19(16)21)10-14-8-4-7-13(2)18(14)20(22)23-3/h4-10H,11H2,1-3H3/b15-10-"	CC1=C2C/C(=C/C3=CC=CC(=C3C(=O)OC)C)/C(=O)C2=CC=C1	XRUQKUFFWLJHLG-GDNBJRDFSA-N
DG63616	"methyl 2-[(E)-(5,7-dimethyl-1-oxo-indan-2-ylidene)methyl]benzoate"	6477500	"NSC678364; CHEMBL1990637; NSC-678364; methyl 2-[(E)-(5,7-dimethyl-1-oxo-indan-2-ylidene)methyl]benzoate; Methyl 2-((5,7-dimethyl-1-oxo-1,3-dihydro-2H-inden-2-ylidene)methyl)benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678364	.	.	.	.	306.4	C20H18O3	43.4	507	4.4	23	0	3	3	"InChI=1S/C20H18O3/c1-12-8-13(2)18-15(9-12)11-16(19(18)21)10-14-6-4-5-7-17(14)20(22)23-3/h4-10H,11H2,1-3H3/b16-10+"	CC1=CC(=C2C(=C1)C/C(=C\\C3=CC=CC=C3C(=O)OC)/C2=O)C	GZWUHCCYNIAIRS-MHWRWJLKSA-N
DG63617	"methyl 2-[(E)-(4,6-dimethyl-1-oxo-indan-2-ylidene)methyl]-5-methyl-benzoate"	6477508	"NSC678383; MLS002702301; CHEMBL1972083; ZINC1647246; NSC-678383; Benzoic acid,6-dimethyl-1-oxo-2-indanylidene) methyl]-5-methyl-, methyl ester; Methyl 2-((4,6-dimethyl-1-oxo-1,3-dihydro-2H-inden-2-ylidene)methyl)-5-methylbenzoate; methyl 2-[(E)-(4,6-dimethyl-1-oxo-indan-2-ylidene)methyl]-5-methyl-benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678383	.	.	.	.	320.4	C21H20O3	43.4	535	4.7	24	0	3	3	"InChI=1S/C21H20O3/c1-12-5-6-15(18(8-12)21(23)24-4)10-16-11-17-14(3)7-13(2)9-19(17)20(16)22/h5-10H,11H2,1-4H3/b16-10+"	CC1=CC(=C(C=C1)/C=C/2\\CC3=C(C=C(C=C3C2=O)C)C)C(=O)OC	GZXJWIVWNUYCDG-MHWRWJLKSA-N
DG63618	"methyl 2-[(E)-(4,8-dimethyl-3-oxo-1,5,6,7-tetrahydro-s-indacen-2-ylidene)methyl]benzoate"	6477511	"NSC678387; CHEMBL1981889; ZINC17261090; NSC-678387; methyl 2-[(E)-(4,8-dimethyl-3-oxo-1,5,6,7-tetrahydro-s-indacen-2-ylidene)methyl]benzoate; Methyl 2-((4,8-dimethyl-1-oxo-3,5,6,7-tetrahydro-s-indacen-2(1H)-ylidene)methyl)benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678387	.	.	.	.	346.4	C23H22O3	43.4	607	5.2	26	0	3	3	"InChI=1S/C23H22O3/c1-13-17-9-6-10-18(17)14(2)21-20(13)12-16(22(21)24)11-15-7-4-5-8-19(15)23(25)26-3/h4-5,7-8,11H,6,9-10,12H2,1-3H3/b16-11+"	CC1=C2CCCC2=C(C3=C1C/C(=C\\C4=CC=CC=C4C(=O)OC)/C3=O)C	SXOHYDPJAQEFHP-LFIBNONCSA-N
DG63619	2-((2-(Benzoylamino)-3-(2-hydroxyphenyl)acryloyl)amino)-N-benzylbenzamide	6477537	NSC686410; CHEMBL1964653; NSC-686410; 2-((2-(Benzoylamino)-3-(2-hydroxyphenyl)acryloyl)amino)-N-benzylbenzamide; 2-[[(Z)-2-benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-N-benzyl-benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686410	.	.	.	.	491.5	C30H25N3O4	108	801	5.2	37	4	4	8	"InChI=1S/C30H25N3O4/c34-27-18-10-7-15-23(27)19-26(33-28(35)22-13-5-2-6-14-22)30(37)32-25-17-9-8-16-24(25)29(36)31-20-21-11-3-1-4-12-21/h1-19,34H,20H2,(H,31,36)(H,32,37)(H,33,35)/b26-19-"	C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)/C(=C/C3=CC=CC=C3O)/NC(=O)C4=CC=CC=C4	GHMZCKVFIHXXMB-XHPQRKPJSA-N
DG63620	2-[[(Z)-2-benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid	6477538	NSC686411; CHEMBL2004134; NSC-686411; 2-[[(Z)-2-benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid; N-(2-(Benzoylamino)-3-(2-hydroxyphenyl)acryloyl)tryptophan	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686411	.	.	.	.	469.5	C27H23N3O5	132	794	4	35	5	5	8	"InChI=1S/C27H23N3O5/c31-24-13-7-4-10-18(24)14-22(29-25(32)17-8-2-1-3-9-17)26(33)30-23(27(34)35)15-19-16-28-21-12-6-5-11-20(19)21/h1-14,16,23,28,31H,15H2,(H,29,32)(H,30,33)(H,34,35)/b22-14-"	C1=CC=C(C=C1)C(=O)N/C(=C\\C2=CC=CC=C2O)/C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O	RMSFWGCAZZFJSW-HMAPJEAMSA-N
DG63621	2-[2-[(Z)-1-benzamido-2-(2-hydroxyphenyl)vinyl]-5-oxo-oxazolidin-4-yl]acetic acid	6477540	"NSC686413; CHEMBL1989242; NSC-686413; (2-(1-(Benzoylamino)-2-(2-hydroxyphenyl)vinyl)-5-oxo-1,3-oxazolidin-4-yl)acetic acid; 2-[2-[(Z)-1-benzamido-2-(2-hydroxyphenyl)vinyl]-5-oxo-oxazolidin-4-yl]acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686413	.	.	.	.	382.4	C20H18N2O6	125	628	-0.7	28	4	7	6	"InChI=1S/C20H18N2O6/c23-16-9-5-4-8-13(16)10-14(21-18(26)12-6-2-1-3-7-12)19-22-15(11-17(24)25)20(27)28-19/h1-10,15,19,22-23H,11H2,(H,21,26)(H,24,25)/b14-10-"	C1=CC=C(C=C1)C(=O)N/C(=C\\C2=CC=CC=C2O)/C3NC(C(=O)O3)CC(=O)O	AJBNWPRTBYQALF-UVTDQMKNSA-N
DG63622	N-(1-((2-(Hydrazinocarbonyl)anilino)carbonyl)-2-(2-hydroxyphenyl)vinyl)benzamide	6477544	NSC686420; CHEMBL1989813; NSC-686420; N-(1-((2-(Hydrazinocarbonyl)anilino)carbonyl)-2-(2-hydroxyphenyl)vinyl)benzamide; N-[(Z)-1-[[2-(hydrazinecarbonyl)phenyl]carbamoyl]-2-(2-hydroxyphenyl)vinyl]benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686420	.	.	.	.	416.4	C23H20N4O4	134	675	3	31	5	5	6	"InChI=1S/C23H20N4O4/c24-27-22(30)17-11-5-6-12-18(17)25-23(31)19(14-16-10-4-7-13-20(16)28)26-21(29)15-8-2-1-3-9-15/h1-14,28H,24H2,(H,25,31)(H,26,29)(H,27,30)/b19-14-"	C1=CC=C(C=C1)C(=O)N/C(=C\\C2=CC=CC=C2O)/C(=O)NC3=CC=CC=C3C(=O)NN	LIJLCTNPTCDAMU-RGEXLXHISA-N
DG63623	2-[[(Z)-2-benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-N-(3-hydroxypropyl)benzamide	6477546	NSC686425; CHEMBL2001896; NSC-686425; 2-[[(Z)-2-benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-N-(3-hydroxypropyl)benzamide; 2-((2-(Benzoylamino)-3-(2-hydroxyphenyl)acryloyl)amino)-N-(3-hydroxypropyl)benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686425	.	.	.	.	459.5	C26H25N3O5	128	719	3.4	34	5	5	9	"InChI=1S/C26H25N3O5/c30-16-8-15-27-25(33)20-12-5-6-13-21(20)28-26(34)22(17-19-11-4-7-14-23(19)31)29-24(32)18-9-2-1-3-10-18/h1-7,9-14,17,30-31H,8,15-16H2,(H,27,33)(H,28,34)(H,29,32)/b22-17-"	C1=CC=C(C=C1)C(=O)N/C(=C\\C2=CC=CC=C2O)/C(=O)NC3=CC=CC=C3C(=O)NCCCO	ZHVYQWWWBZLRIW-XLNRJJMWSA-N
DG63624	2-[[(Z)-2-benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoic acid	6477547	NSC686426; CHEMBL1976780; 2-[[(Z)-2-benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoic acid; NSC-686426; N-(2-(Benzoylamino)-3-(2-hydroxyphenyl)acryloyl)alanine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686426	.	.	.	.	354.4	C19H18N2O5	116	554	2.3	26	4	5	6	"InChI=1S/C19H18N2O5/c1-12(19(25)26)20-18(24)15(11-14-9-5-6-10-16(14)22)21-17(23)13-7-3-2-4-8-13/h2-12,22H,1H3,(H,20,24)(H,21,23)(H,25,26)/b15-11-"	CC(C(=O)O)NC(=O)/C(=C/C1=CC=CC=C1O)/NC(=O)C2=CC=CC=C2	DAOHVZHZODOYEF-PTNGSMBKSA-N
DG63625	N-[(Z)-2-(2-hydroxyphenyl)-1-(4-methyl-5-oxo-oxazolidin-2-yl)vinyl]benzamide	6477565	"NSC690947; CHEMBL1978948; NSC-690947; N-(2-(2-Hydroxyphenyl)-1-(4-methyl-5-oxo-1,3-oxazolidin-2-yl)vinyl)benzamide; N-[(Z)-2-(2-hydroxyphenyl)-1-(4-methyl-5-oxo-oxazolidin-2-yl)vinyl]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690947	.	.	.	.	338.4	C19H18N2O4	87.7	528	2.4	25	3	5	4	"InChI=1S/C19H18N2O4/c1-12-19(24)25-18(20-12)15(11-14-9-5-6-10-16(14)22)21-17(23)13-7-3-2-4-8-13/h2-12,18,20,22H,1H3,(H,21,23)/b15-11-"	CC1C(=O)OC(N1)/C(=C/C2=CC=CC=C2O)/NC(=O)C3=CC=CC=C3	JLJNCYCVSFKQGY-PTNGSMBKSA-N
DG63626	"Diferrous; cyclopenta-1,3-diene; dichloro-di(cyclopenta-1,4-dien-1-yl)stannane"	6477718	"NSC176245; diferrous; cyclopenta-1,3-diene; dichloro-di(cyclopenta-1,4-dien-1-yl)stannane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176245	.	.	.	.	559.7	C20H18Cl2Fe2Sn	0	163	.	25	0	4	2	InChI=1S/2C5H5.2C5H4.2ClH.2Fe.Sn/c4*1-2-4-5-3-1;;;;;/h2*1-5H;2*1-4H;2*1H;;;/q4*-1;;;3*+2/p-2	[CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC(=C1)[Sn](C2=C[CH-]C=C2)(Cl)Cl.[Fe+2].[Fe+2]	LBAIXCFXYYVKGW-UHFFFAOYSA-L
DG63627	"platinum(2+); 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol"	6477738	"NSC620256; platinum(2+); 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol; 6H-Pyrido[4,3-b]carbazolium, 9-hydroxy-2,5,11-trimethyl-, (SP-4-1)-tetrachloroplatinate(2-) (2:1); Platinate(2-), tetrachloro-, (SP-4-1), 9-hydroxy-2,5,11- trimethyl-6H-pyrido[4, 3-b]carbazolium (1:2); Platinate(2-), tetrachloro-, (SP-4-1), 9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazolium (1:2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620256	.	.	.	.	891.6	C36H34Cl4N4O2Pt	79.8	401	.	47	4	6	0	"InChI=1S/2C18H16N2O.4ClH.Pt/c2*1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18;;;;;/h2*4-9,21H,1-3H3;4*1H;/q;;;;;;+2/p-2"	CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C)C.CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Pt+2]	YQRGYGSPUGHUMN-UHFFFAOYSA-L
DG63628	"Ammonia; pentane-1,5-diamine; platinum(2+)"	6477757	"NSC632792; ammonia; pentane-1,5-diamine; platinum(2+); 1,5-Pentanediamine, compd. with dichloroplatinum, ammoniate (1:2:2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632792	.	.	.	.	668.2	C5H20Cl4N4Pt2	54	25.3	.	15	4	8	4	InChI=1S/C5H14N2.4ClH.2H3N.2Pt/c6-4-2-1-3-5-7;;;;;;;;/h1-7H2;4*1H;2*1H3;;/q;;;;;;;2*+2/p-4	C(CCN)CCN.N.N.[Cl-].[Cl-].[Cl-].[Cl-].[Pt+2].[Pt+2]	GNTCAHFLHNHAPX-UHFFFAOYSA-J
DG63629	"Ammonia; 2,5-dimethylhexane-2,5-diamine; platinum(2+)"	6477758	"NSC632794; ammonia; 2,5-dimethylhexane-2,5-diamine; platinum(2+); 2,5-Hexanediamine, 2,5-dimethyl-, compd. with dichloroplatinum, ammoniate (1:2:2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632794	.	.	.	.	710.3	C8H26Cl4N4Pt2	54	91.8	.	18	4	8	3	"InChI=1S/C8H20N2.4ClH.2H3N.2Pt/c1-7(2,9)5-6-8(3,4)10;;;;;;;;/h5-6,9-10H2,1-4H3;4*1H;2*1H3;;/q;;;;;;;2*+2/p-4"	CC(C)(CCC(C)(C)N)N.N.N.[Cl-].[Cl-].[Cl-].[Cl-].[Pt+2].[Pt+2]	KKSKOVIYTQFKII-UHFFFAOYSA-J
DG63630	"Ammonia; butane-1,4-diamine; chloroplatinum(1+)"	6477759	"NSC632795; ammonia; butane-1,4-diamine; chloroplatinum(1+); 1,4-Butanediamine, compd. with platinum(1+), chloro-, ammoniate (1:2:4)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632795	.	.	.	.	688.2	C4H24Cl4N6Pt2	56	19.5	.	16	6	8	3	InChI=1S/C4H12N2.4ClH.4H3N.2Pt/c5-3-1-2-4-6;;;;;;;;;;/h1-6H2;4*1H;4*1H3;;/q;;;;;;;;;2*+2/p-4	C(CCN)CN.N.N.N.N.[Cl-].[Cl-].Cl[Pt+].Cl[Pt+]	XJUORYIYMHLVSZ-UHFFFAOYSA-J
DG63631	"(3Z,5Z)-3,5-dibenzylidene-1-[3-(dimethylamino)propanoyl]piperidin-4-one"	6477768	"NSC634784; SMR001565264; CHEMBL1740374; BDBM93515; cid_45281159; ZINC5722233; (3Z,5Z)-3,5-dibenzylidene-1-[3-(dimethylamino)propanoyl]piperidin-4-one; (3Z,5Z)-3,5-dibenzal-1-[3-(dimethylamino)propanoyl]-4-piperidone;hydrochloride; (3Z,5Z)-3,5-dibenzylidene-1-[3-(dimethylamino)propanoyl]piperidin-4-one;hydrochloride; 3,5-Dibenzylidene-1-(3-(dimethylamino)propanoyl)-4-piperidinone hydrochloride; (3Z,5Z)-1-[3-(dimethylamino)-1-oxopropyl]-3,5-bis(phenylmethylene)-4-piperidinone;hydrochloride; (3Z,5Z)-1-[3-(dimethylamino)propanoyl]-3,5-bis(phenylmethylidene)piperidin-4-one;hydrochloride; 4-Piperidinone, {1-[3-(dimethylamino)-1-oxopropyl]-3,5-} bis(phenylmethylene)-, monohydrochloride; 4-Piperidinone, 1-[3-(dimethylamino)-1-oxopropyl]-3,5- bis(phenylmethylene)-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634784	.	.	.	.	374.5	C24H26N2O2	40.6	568	3.1	28	0	3	5	"InChI=1S/C24H26N2O2/c1-25(2)14-13-23(27)26-17-21(15-19-9-5-3-6-10-19)24(28)22(18-26)16-20-11-7-4-8-12-20/h3-12,15-16H,13-14,17-18H2,1-2H3/b21-15-,22-16-"	CN(CCC(=O)N1C/C(=C/C2=CC=CC=C2)/C(=O)/C(=C\\C3=CC=CC=C3)/C1)C	UILSIXHPMXONEE-BMJUYKDLSA-N
DG63632	"(3Z,5Z)-3,5-dibenzylidene-1-[3-(diethylamino)propanoyl]piperidin-4-one"	6477769	"NSC634785; SMR001565265; CHEMBL1740754; BDBM93516; cid_45281160; ZINC16957342; (3Z,5Z)-3,5-dibenzylidene-1-[3-(diethylamino)propanoyl]piperidin-4-one; (3Z,5Z)-3,5-dibenzal-1-[3-(diethylamino)propanoyl]-4-piperidone;hydrochloride; (3Z,5Z)-3,5-dibenzylidene-1-[3-(diethylamino)propanoyl]piperidin-4-one;hydrochloride; 3,5-Dibenzylidene-1-(3-(diethylamino)propanoyl)-4-piperidinone hydrochloride; (3Z,5Z)-1-[3-(diethylamino)-1-oxopropyl]-3,5-bis(phenylmethylene)-4-piperidinone;hydrochloride; (3Z,5Z)-1-[3-(diethylamino)propanoyl]-3,5-bis(phenylmethylidene)piperidin-4-one;hydrochloride; 4-Piperidinone, {1-[3-(diethylamino)-1-oxopropyl]-3,5-bis-} (phenylmethylene)-, monohydrochloride; 4-Piperidinone, 1-[3-(diethylamino)-1-oxopropyl]-3,5-bis- (phenylmethylene)-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634785	.	.	.	.	402.5	C26H30N2O2	40.6	595	3.8	30	0	3	7	"InChI=1S/C26H30N2O2/c1-3-27(4-2)16-15-25(29)28-19-23(17-21-11-7-5-8-12-21)26(30)24(20-28)18-22-13-9-6-10-14-22/h5-14,17-18H,3-4,15-16,19-20H2,1-2H3/b23-17-,24-18-"	CCN(CCC(=O)N1C/C(=C/C2=CC=CC=C2)/C(=O)/C(=C\\C3=CC=CC=C3)/C1)CC	XFNBSBJDRCRHLM-BOYKQRMESA-N
DG63633	"4-Piperidinone, 3,5-bis(phenylmethylene)-1-[3-(1-piperidinyl)-1-oxopropyl]-, monohydrochloride"	6477770	"NSC634786; SMR001565266; CHEMBL1906861; BDBM93517; cid_45281161; ZINC1624183; (3Z,5Z)-3,5-dibenzal-1-(3-piperidinopropanoyl)-4-piperidone;hydrochloride; (3Z,5Z)-3,5-dibenzylidene-1-[3-(1-piperidyl)propanoyl]piperidin-4-one; (3Z,5Z)-3,5-dibenzylidene-1-(3-piperidin-1-ylpropanoyl)piperidin-4-one;hydrochloride; (3Z,5Z)-1-[1-oxo-3-(1-piperidinyl)propyl]-3,5-bis(phenylmethylene)-4-piperidinone;hydrochloride; (3Z,5Z)-3,5-bis(phenylmethylidene)-1-(3-piperidin-1-ylpropanoyl)piperidin-4-one;hydrochloride; 4-Piperidinone, 3,5-bis(phenylmethylene)-1-[3-(1-piperidinyl)-1-oxopropyl]-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634786	.	.	.	.	414.5	C27H30N2O2	40.6	637	3.9	31	0	3	5	"InChI=1S/C27H30N2O2/c30-26(14-17-28-15-8-3-9-16-28)29-20-24(18-22-10-4-1-5-11-22)27(31)25(21-29)19-23-12-6-2-7-13-23/h1-2,4-7,10-13,18-19H,3,8-9,14-17,20-21H2/b24-18-,25-19-"	C1CCN(CC1)CCC(=O)N2C/C(=C/C3=CC=CC=C3)/C(=O)/C(=C\\C4=CC=CC=C4)/C2	FQEUNMBWPCOHCF-GJEUYDLNSA-N
DG63634	"(3Z,5E)-3,5-dibenzylidene-1-(3-pyrrolidin-1-ylpropanoyl)piperidin-4-one"	6477779	"NSC636675; ZINC1624827; (3Z,5E)-3,5-dibenzylidene-1-(3-pyrrolidin-1-ylpropanoyl)piperidin-4-one; 3,5-Dibenzylidene-1-(3-(1-pyrrolidinyl)propanoyl)-4-piperidinone hydrochloride; 4-Piperidinone, {1-[3-(1-pyrrolyl)-1-oxopropyl]-3,5-} bis(phenylmethylene)-, monohydrochloride; 4-Piperidinone, 1-[3-(1-pyrrolyl)-1-oxopropyl]-3,5- bis(phenylmethylene)-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636675	.	.	.	.	400.5	C26H28N2O2	40.6	623	3.6	30	0	3	5	"InChI=1S/C26H28N2O2/c29-25(13-16-27-14-7-8-15-27)28-19-23(17-21-9-3-1-4-10-21)26(30)24(20-28)18-22-11-5-2-6-12-22/h1-6,9-12,17-18H,7-8,13-16,19-20H2/b23-17-,24-18+"	C1CCN(C1)CCC(=O)N2C/C(=C\\C3=CC=CC=C3)/C(=O)/C(=C\\C4=CC=CC=C4)/C2	MQKOVQRHVUBDFD-QFFDILLMSA-N
DG63635	"(3Z,5E)-3,5-dibenzylidene-1-(3-morpholinopropanoyl)piperidin-4-one"	6477780	"NSC636676; (3Z,5E)-3,5-dibenzylidene-1-(3-morpholinopropanoyl)piperidin-4-one; 3,5-Dibenzylidene-1-(3-(4-morpholinyl)propanoyl)-4-piperidinone hydrochloride; 4-Piperidinone, {1-[3-(4-morpholinyl)-1-oxopropyl]-} 3, 5-bis(phenylmethylene)-, monohydrochloride; 4-Piperidinone, 1-[3-(4-morpholinyl)-1-oxopropyl]- 3, 5-bis(phenylmethylene)-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636676	.	.	.	.	416.5	C26H28N2O3	49.8	641	2.7	31	0	4	5	"InChI=1S/C26H28N2O3/c29-25(11-12-27-13-15-31-16-14-27)28-19-23(17-21-7-3-1-4-8-21)26(30)24(20-28)18-22-9-5-2-6-10-22/h1-10,17-18H,11-16,19-20H2/b23-17-,24-18+"	C1COCCN1CCC(=O)N2C/C(=C\\C3=CC=CC=C3)/C(=O)/C(=C\\C4=CC=CC=C4)/C2	PNVOOWKMZIZKOG-QFFDILLMSA-N
DG63636	"(6Z)-6-[(2,4-dichlorophenyl)methylene]-3-(3-nitrophenyl)thiazolo[2,3-b]thiazol-4-ium-5-one"	6477818	"NSC657445; ZINC1636019; (6Z)-6-[(2,4-dichlorophenyl)methylene]-3-(3-nitrophenyl)thiazolo[2,3-b]thiazol-4-ium-5-one; 2-(2,4-Dichlorobenzylidene)-5-(3-(hydroxy(oxido)amino)phenyl)-2H,3H-4lambda~5~-[1,3]thiazolo[2,3-b][1,3]thiazol-3-one hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657445	.	.	.	.	436.3	C18H9Cl2N2O3S2+	120	645	6.5	27	0	5	2	InChI=1S/C18H9Cl2N2O3S2/c19-12-5-4-10(14(20)8-12)7-16-17(23)21-15(9-26-18(21)27-16)11-2-1-3-13(6-11)22(24)25/h1-9H/q+1/b16-7-	C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=[N+]2C(=O)/C(=C/C4=C(C=C(C=C4)Cl)Cl)/S3	WXOBMQBMVPTULF-APSNUPSMSA-N
DG63637	Hexafluoro phosphate	6477909	"hexafluoro phosphate; CHEMBL1992520; NSC684713; (2Z)-3-ethyl-2-[(Z)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-4-methyl-pent-4-en-2-ynylidene]-1,3-benzothiazole hexafluorophosphate; 3-Ethyl-2-[5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methyl-pent-1-en-3-ynyl]-benzothiazol-3-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684713	.	.	.	.	548.6	C24H23F6N2PS2	60.7	748	.	35	0	10	4	"InChI=1S/C24H23N2S2.F6P/c1-4-25-19-12-6-8-14-21(19)27-23(25)16-10-11-18(3)17-24-26(5-2)20-13-7-9-15-22(20)28-24;1-7(2,3,4,5)6/h6-9,12-17H,4-5H2,1-3H3;/q+1;-1"	CCN\\1C2=CC=CC=C2S/C1=C\\C#C/C(=C\\C3=[N+](C4=CC=CC=C4S3)CC)/C.F[P-](F)(F)(F)(F)F	WDCQRRFQYQQDMM-UHFFFAOYSA-N
DG63638	"(4Z,6E)-4,8,12-trimethyl-1-(4-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium-1-yl)trideca-4,6,11-trien-3-one"	6477929	"NSC700648; (4Z,6E)-4,8,12-trimethyl-1-(4-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium-1-yl)trideca-4,6,11-trien-3-one; 4,8,12-Trimethyl-1-(4-methyloctahydro-1H-4lambda~5~-indolizin-1-yl)-4,6,11-tridecatrien-3-one hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700648	.	.	.	.	372.6	C25H42NO+	17.1	581	6.2	27	0	1	9	"InChI=1S/C25H42NO/c1-20(2)10-8-11-21(3)12-9-13-22(4)25(27)16-15-23-17-19-26(5)18-7-6-14-24(23)26/h9-10,12-13,21,23-24H,6-8,11,14-19H2,1-5H3/q+1/b12-9+,22-13-"	CC(CCC=C(C)C)/C=C/C=C(/C)\\C(=O)CCC1CC[N+]2(C1CCCC2)C	XVHGEQZLPUATNX-IKVHAALSSA-N
DG63639	1-Phenyl-3-[(3-phenylimidazolidin-1-yl)methyl]imidazolidine	6482345	"CHEMBL269923; 3-phenyl(imidazolidinil-1)methano; 1-phenyl-3-[(3-phenylimidazolidin-1-yl)methyl]imidazolidine; NSC732248; NSC-732248; Imidazolidine, 1,1'-methylenebis[3-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732248	.	.	.	.	308.4	C19H24N4	13	328	3.8	23	0	4	4	"InChI=1S/C19H24N4/c1-3-7-18(8-4-1)22-13-11-20(16-22)15-21-12-14-23(17-21)19-9-5-2-6-10-19/h1-10H,11-17H2"	C1CN(CN1CN2CCN(C2)C3=CC=CC=C3)C4=CC=CC=C4	ZKMPAPGCXXQZJL-UHFFFAOYSA-N
DG63640	1-(4-Methoxyphenyl)-3-[[3-(4-methoxyphenyl)imidazolidin-1-yl]methyl]imidazolidine	6482347	"CHEMBL271963; NSC732250; NSC-732250; 1-(4-methoxyphenyl)-3-[[3-(4-methoxyphenyl)imidazolidin-1-yl]methyl]imidazolidine; 3-[4-methoxyphenyl(imidazolidinil-1)]methane; Imidazolidine, 1,1'-methylenebis[3-(4-methoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732250	.	.	.	.	368.5	C21H28N4O2	31.4	410	3.7	27	0	6	6	"InChI=1S/C21H28N4O2/c1-26-20-7-3-18(4-8-20)24-13-11-22(16-24)15-23-12-14-25(17-23)19-5-9-21(27-2)10-6-19/h3-10H,11-17H2,1-2H3"	COC1=CC=C(C=C1)N2CCN(C2)CN3CCN(C3)C4=CC=C(C=C4)OC	MKFDWUIPXPISCN-UHFFFAOYSA-N
DG63641	"(4Z)-2-(3-chlorophenyl)-5-methyl-4-[(2E)-3-phenylprop-2-en-1-ylidene]-2,4-dihydro-3H-pyrazol-3-one"	6485117	"(4Z)-2-(3-chlorophenyl)-5-methyl-4-[(2E)-3-phenylprop-2-en-1-ylidene]-2,4-dihydro-3H-pyrazol-3-one; CHEMBL1812990; NSC751275; STK219798; ZINC13517238; AKOS000447110; NSC-751275"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751275	.	.	.	.	322.8	C19H15ClN2O	32.7	532	4.7	23	0	2	3	"InChI=1S/C19H15ClN2O/c1-14-18(12-5-9-15-7-3-2-4-8-15)19(23)22(21-14)17-11-6-10-16(20)13-17/h2-13H,1H3/b9-5+,18-12-"	CC\\1=NN(C(=O)/C1=C\\C=C\\C2=CC=CC=C2)C3=CC(=CC=C3)Cl	PQPLMTQVKJOXNZ-BIMFAPAISA-N
DG63642	"5-[({2-[(7-chloroquinolin-4-yl)amino]ethyl}amino)methyl]-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one"	6501965	"CHEMBL531738; ZINC4993718; BDBM50546136; NSC766749; STK723780; AKOS000751785; MCULE-5467539763; NSC-766749; 5-[({2-[(7-chloroquinolin-4-yl)amino]ethyl}amino)methyl]-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766749	.	.	.	.	395.9	C21H22ClN5O	60.5	549	2.9	28	2	4	6	"InChI=1S/C21H22ClN5O/c1-26-19-6-3-14(11-20(19)27(2)21(26)28)13-23-9-10-25-17-7-8-24-18-12-15(22)4-5-16(17)18/h3-8,11-12,23H,9-10,13H2,1-2H3,(H,24,25)"	CN1C2=C(C=C(C=C2)CNCCNC3=C4C=CC(=CC4=NC=C3)Cl)N(C1=O)C	NPWXHTXMBIOHKI-UHFFFAOYSA-N
DG63644	(6E)-6-[(8-chloroquinolin-4-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one	6509056	MLS000738219; NSC132868; CHEMBL3196480; HMS2884O08; NSC-132868; SMR000528581	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132868	.	.	.	.	298.8	C17H15ClN2O	33.2	464	3.4	21	0	3	1	"InChI=1S/C17H15ClN2O/c18-15-3-1-2-14-11(4-6-19-17(14)15)8-13-9-12-5-7-20(13)10-16(12)21/h1-4,6,8,12H,5,7,9-10H2/b13-8+"	C1CN\\2CC(=O)C1C/C2=C\\C3=C4C=CC=C(C4=NC=C3)Cl	HREIQFLOPSXSOD-MDWZMJQESA-N
DG63645	"(3Z)-5-bromo-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-dihydro-2H-indol-2-one"	6509922	"MLS002702077; NSC201459; CHEMBL1722821; STK521375; ZINC17837215; AKOS000355571; NSC-201459; SMR001565646; 1H-Indol-2-one,3-dihydro-3-[[(4-methoxyphenyl) carbonyl]methylene]-; (3Z)-5-bromo-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201459	.	.	.	.	358.2	C17H12BrNO3	55.4	482	3.1	22	1	3	3	"InChI=1S/C17H12BrNO3/c1-22-12-5-2-10(3-6-12)16(20)9-14-13-8-11(18)4-7-15(13)19-17(14)21/h2-9H,1H3,(H,19,21)/b14-9-"	COC1=CC=C(C=C1)C(=O)/C=C\\2/C3=C(C=CC(=C3)Br)NC2=O	QGBUWAJLMMCNQF-ZROIWOOFSA-N
DG63646	"(E)-but-2-enedioic acid;6-[(6,7,8-trimethoxyquinazolin-4-yl)amino]hexyl nitrate"	6512032	MLS003170799; NSC331974; CHEMBL1980190; AKOS024431246; NSC-331974; SMR001874717	.	.	Investigative Drug(s)	Investigative	Small molecular drug	331974	.	.	.	.	496.5	C21H28N4O10	195	557	.	35	3	13	13	"InChI=1S/C17H24N4O6.C4H4O4/c1-24-13-10-12-14(16(26-3)15(13)25-2)19-11-20-17(12)18-8-6-4-5-7-9-27-21(22)23;5-3(6)1-2-4(7)8/h10-11H,4-9H2,1-3H3,(H,18,19,20);1-2H,(H,5,6)(H,7,8)/b;2-1+"	COC1=C(C(=C2C(=C1)C(=NC=N2)NCCCCCCO[N+](=O)[O-])OC)OC.C(=C/C(=O)O)\\C(=O)O	GNFMEYYBGDGASH-WLHGVMLRSA-N
DG63647	N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]quinolin-2-amine	6512080	SCHEMBL12706320; 35896-24-3; DTXSID30424816; ZINC5392977; NSC332996; NSC-332996	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332996	.	.	.	.	324.4	C21H16N4	50.2	443	5.3	25	1	4	4	"InChI=1S/C21H16N4/c1-2-9-17(10-3-1)21(19-12-6-7-15-22-19)25-24-20-14-13-16-8-4-5-11-18(16)23-20/h1-15H,(H,23,24)/b25-21+"	C1=CC=C(C=C1)/C(=N\\NC2=NC3=CC=CC=C3C=C2)/C4=CC=CC=N4	OMPFOEQSNRLYEL-NJNXFGOHSA-N
DG63648	(2Z)-2-[(4Z)-4-hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile	6514025	MLS003171588; 741-87-7; NSC406637; ZINC31778075; NSC-406637	.	.	Investigative Drug(s)	Investigative	Small molecular drug	406637	.	.	.	.	302.3	C19H14N2O2	65.6	573	3.6	23	1	4	2	"InChI=1S/C19H14N2O2/c1-23-14-8-6-13(7-9-14)18(12-20)16-10-11-19(21-22)17-5-3-2-4-15(16)17/h2-11,22H,1H3/b18-16+,21-19-"	COC1=CC=C(C=C1)/C(=C/2\\C=C/C(=N/O)/C3=CC=CC=C23)/C#N	CYCYSCSRPYPQLM-DHZPKXATSA-N
DG63649	2-[4-(2-methylpropyl)phenyl]-1-[4-[(E)-2-phenylethenyl]piperazin-1-yl]propan-1-one;hydrochloride	6516123	NSC626887; CHEMBL1983097; NSC-626887	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626887	.	.	.	.	413	C25H33ClN2O	23.6	493	.	29	1	2	6	"InChI=1S/C25H32N2O.ClH/c1-20(2)19-23-9-11-24(12-10-23)21(3)25(28)27-17-15-26(16-18-27)14-13-22-7-5-4-6-8-22;/h4-14,20-21H,15-19H2,1-3H3;1H/b14-13+;"	CC(C)CC1=CC=C(C=C1)C(C)C(=O)N2CCN(CC2)/C=C/C3=CC=CC=C3.Cl	UWAGMJQYTRAYNJ-IERUDJENSA-N
DG63650	(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one	6516560	"168463-93-2; 3-[(5-methoxy-1H-indol-3-yl)methylene]-1,3-dihydro-2H-indol-2-one; (3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one; (3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-2,3-dihydro-1H-indol-2-one; CHEMBL4074055; SCHEMBL14448937; MFCD04124839; NSC740939; ZINC12952764; AKOS015992324; NSC-740939; 1X-0886; SR-01000307166; SR-01000307166-1; (z)-3-((5-methoxy-1h-indol-3-yl)methylene)indolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740939	.	.	.	.	290.3	C18H14N2O2	54.1	476	3	22	2	2	2	"InChI=1S/C18H14N2O2/c1-22-12-6-7-16-14(9-12)11(10-19-16)8-15-13-4-2-3-5-17(13)20-18(15)21/h2-10,19H,1H3,(H,20,21)/b15-8-"	COC1=CC2=C(C=C1)NC=C2/C=C\\3/C4=CC=CC=C4NC3=O	OEJQBEJOXJYPRT-NVNXTCNLSA-N
DG63651	(5E)-2-[(dimethylamino)methyl]-5-octylidenecyclopentan-1-one;hydrochloride	6516817	NSC639504; CHEMBL2001836; NSC-639504	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639504	.	.	.	.	287.9	C16H30ClNO	20.3	281	.	19	1	2	8	"InChI=1S/C16H29NO.ClH/c1-4-5-6-7-8-9-10-14-11-12-15(16(14)18)13-17(2)3;/h10,15H,4-9,11-13H2,1-3H3;1H/b14-10+;"	CCCCCCC/C=C/1\\CCC(C1=O)CN(C)C.Cl	QAIOLXNCYPNUTQ-KMZJGFRYSA-N
DG63652	(2E)-2-[2-(3-bromophenyl)propylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride	6516820	NSC639510; SCHEMBL9302122; CHEMBL1979783; NSC-639510	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639510	.	.	.	.	372.7	C17H23BrClNO	20.3	377	.	21	1	2	4	"InChI=1S/C17H22BrNO.ClH/c1-12(13-5-4-6-16(18)10-13)9-14-7-8-15(17(14)20)11-19(2)3;/h4-6,9-10,12,15H,7-8,11H2,1-3H3;1H/b14-9+;"	CC(/C=C/1\\CCC(C1=O)CN(C)C)C2=CC(=CC=C2)Br.Cl	QQQULCYJFLOBTO-KYIGKLDSSA-N
DG63653	[4-[(E)-[3-[(dimethylamino)methyl]-2-oxocyclopentylidene]methyl]-2-methoxyphenyl] benzoate;hydrochloride	6516825	NSC639518; CHEMBL1990949; NSC-639518	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639518	.	.	.	.	415.9	C23H26ClNO4	55.8	579	.	29	1	5	7	"InChI=1S/C23H25NO4.ClH/c1-24(2)15-19-11-10-18(22(19)25)13-16-9-12-20(21(14-16)27-3)28-23(26)17-7-5-4-6-8-17;/h4-9,12-14,19H,10-11,15H2,1-3H3;1H/b18-13+;"	CN(C)CC1CC/C(=C\\C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC)/C1=O.Cl	ZORIDTSLJBDWTB-PUBYZPQMSA-N
DG63654	(2E)-2-[(2-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride	6516827	NSC639520; SCHEMBL9301014; SCHEMBL9301016; CHEMBL1998778; NSC-639520	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639520	.	.	.	.	337.8	C18H24ClNO3	38.8	415	.	23	1	4	4	"InChI=1S/C18H23NO3.ClH/c1-21-17-5-3-2-4-14(17)12-15-6-7-16(18(15)20)13-19-8-10-22-11-9-19;/h2-5,12,16H,6-11,13H2,1H3;1H/b15-12+;"	COC1=CC=CC=C1/C=C/2\\CCC(C2=O)CN3CCOCC3.Cl	PWNIUNGZKQYDIQ-JRUHLWALSA-N
DG63655	(5E)-2-benzyl-2-[(dimethylamino)methyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride	6516829	NSC639521; SCHEMBL9299490; SCHEMBL9299491; CHEMBL1996031; NSC-639521	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639521	.	.	.	.	385.9	C23H28ClNO2	29.5	506	.	27	1	3	6	"InChI=1S/C23H27NO2.ClH/c1-24(2)17-23(16-18-9-5-4-6-10-18)14-13-20(22(23)25)15-19-11-7-8-12-21(19)26-3;/h4-12,15H,13-14,16-17H2,1-3H3;1H/b20-15+;"	CN(C)CC1(CC/C(=C\\C2=CC=CC=C2OC)/C1=O)CC3=CC=CC=C3.Cl	OCMFWRVISPZPQB-QMGGKDRNSA-N
DG63656	(5E)-2-[(dimethylamino)methyl]-5-[(4-methoxyphenyl)methylidene]-2-methylcyclopentan-1-one;hydrochloride	6516839	NSC639527; CHEMBL2003859; NSC-639527	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639527	.	.	.	.	309.8	C17H24ClNO2	29.5	381	.	21	1	3	4	"InChI=1S/C17H23NO2.ClH/c1-17(12-18(2)3)10-9-14(16(17)19)11-13-5-7-15(20-4)8-6-13;/h5-8,11H,9-10,12H2,1-4H3;1H/b14-11+;"	CC1(CC/C(=C\\C2=CC=C(C=C2)OC)/C1=O)CN(C)C.Cl	SZEZDJHAHHQHNS-JHGYPSGKSA-N
DG63657	"(5E)-2-[(dimethylamino)methyl]-2-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride"	6516845	NSC639531; CHEMBL1968199; NSC-639531	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639531	.	.	.	.	369.9	C19H28ClNO4	48	462	.	25	1	5	6	"InChI=1S/C19H27NO4.ClH/c1-19(12-20(2)3)8-7-14(18(19)21)9-13-10-15(22-4)17(24-6)16(11-13)23-5;/h9-11H,7-8,12H2,1-6H3;1H/b14-9+;"	CC1(CC/C(=C\\C2=CC(=C(C(=C2)OC)OC)OC)/C1=O)CN(C)C.Cl	MKJMHSPWGVAXAZ-KYIGKLDSSA-N
DG63658	(5E)-5-[(4-chlorophenyl)methylidene]-2-[(dimethylamino)methyl]-2-prop-2-enylcyclopentan-1-one;hydrochloride	6516849	NSC639533; CHEMBL1984299; NSC-639533	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639533	.	.	.	.	340.3	C18H23Cl2NO	20.3	421	.	22	1	2	5	"InChI=1S/C18H22ClNO.ClH/c1-4-10-18(13-20(2)3)11-9-15(17(18)21)12-14-5-7-16(19)8-6-14;/h4-8,12H,1,9-11,13H2,2-3H3;1H/b15-12+;"	CN(C)CC1(CC/C(=C\\C2=CC=C(C=C2)Cl)/C1=O)CC=C.Cl	KFCGCZFXJWCIDD-JRUHLWALSA-N
DG63659	"(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(dimethylamino)methyl]-2-prop-2-enylcyclopentan-1-one;hydrochloride"	6516851	NSC639534; CHEMBL1983377; NSC-639534	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639534	.	.	.	.	349.8	C19H24ClNO3	38.8	499	.	24	1	4	5	"InChI=1S/C19H23NO3.ClH/c1-4-8-19(12-20(2)3)9-7-15(18(19)21)10-14-5-6-16-17(11-14)23-13-22-16;/h4-6,10-11H,1,7-9,12-13H2,2-3H3;1H/b15-10+;"	CN(C)CC1(CC/C(=C\\C2=CC3=C(C=C2)OCO3)/C1=O)CC=C.Cl	WEZOGTLWZYLVNM-GYVLLFFHSA-N
DG63660	(5E)-2-[(dimethylamino)methyl]-2-ethyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride	6516853	NSC639536; CHEMBL2007443; NSC-639536	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639536	.	.	.	.	323.9	C18H26ClNO2	29.5	394	.	22	1	3	5	"InChI=1S/C18H25NO2.ClH/c1-5-18(13-19(2)3)11-10-15(17(18)20)12-14-6-8-16(21-4)9-7-14;/h6-9,12H,5,10-11,13H2,1-4H3;1H/b15-12+;"	CCC1(CC/C(=C\\C2=CC=C(C=C2)OC)/C1=O)CN(C)C.Cl	FPKWRHBTVFPCRP-JRUHLWALSA-N
DG63661	"(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(dimethylamino)methyl]-2-ethylcyclopentan-1-one;hydrochloride"	6516854	NSC639537; CHEMBL1995653; NSC-639537	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639537	.	.	.	.	353.9	C19H28ClNO3	38.8	446	.	24	1	4	6	"InChI=1S/C19H27NO3.ClH/c1-6-19(13-20(2)3)10-9-15(18(19)21)11-14-7-8-16(22-4)17(12-14)23-5;/h7-8,11-12H,6,9-10,13H2,1-5H3;1H/b15-11+;"	CCC1(CC/C(=C\\C2=CC(=C(C=C2)OC)OC)/C1=O)CN(C)C.Cl	AIINJISYVLAZTD-KRWCAOSLSA-N
DG63662	(5E)-2-[(4-chloroanilino)methyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one	6516858	NSC639540; CHEMBL1964548; NSC-639540	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639540	.	.	.	.	341.8	C20H20ClNO2	38.3	457	4.8	24	1	3	5	"InChI=1S/C20H20ClNO2/c1-24-19-5-3-2-4-14(19)12-15-6-7-16(20(15)23)13-22-18-10-8-17(21)9-11-18/h2-5,8-12,16,22H,6-7,13H2,1H3/b15-12+"	COC1=CC=CC=C1/C=C/2\\CCC(C2=O)CNC3=CC=C(C=C3)Cl	OVSJHHKFALRYKL-NTCAYCPXSA-N
DG63663	(5E)-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride	6516861	NSC639621; CHEMBL92378; NSC-639621	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639621	.	.	.	.	375.9	C22H30ClNO2	29.5	548	.	26	1	3	6	"InChI=1S/C22H29NO2.ClH/c1-23(2)15-14-22(19-9-5-6-10-19)13-12-18(21(22)24)16-17-8-4-7-11-20(17)25-3;/h4,7-9,11,16H,5-6,10,12-15H2,1-3H3;1H/b18-16+;"	CN(C)CCC1(CC/C(=C\\C2=CC=CC=C2OC)/C1=O)C3=CCCC3.Cl	VNUNZTSJKBCFAK-HYNBPGMHSA-N
DG63664	"(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride"	6516904	NSC639981; CHEMBL2006669; NSC-639981	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639981	.	.	.	.	351.8	C18H22ClNO4	48	472	.	24	1	5	3	"InChI=1S/C18H21NO4.ClH/c20-18-14(2-3-15(18)11-19-5-7-21-8-6-19)9-13-1-4-16-17(10-13)23-12-22-16;/h1,4,9-10,15H,2-3,5-8,11-12H2;1H/b14-9+;"	C1C/C(=C\\C2=CC3=C(C=C2)OCO3)/C(=O)C1CN4CCOCC4.Cl	SDWZNJCIENZVRP-KYIGKLDSSA-N
DG63665	[(2Z)-2-hydroxyiminocyclopentyl]methyl-trimethylazanium;iodide	6516931	NSC640394; CHEMBL1991486; NSC-640394	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640394	.	.	.	.	298.16	C9H19IN2O	32.6	182	.	13	1	3	2	"InChI=1S/C9H18N2O.HI/c1-11(2,3)7-8-5-4-6-9(8)10-12;/h8H,4-7H2,1-3H3;1H/b10-9-;"	C[N+](C)(C)CC\\1CCC/C1=N/O.[I-]	IIPKWZYFAQHLPP-KVVVOXFISA-N
DG63666	"Benzothiazole,Methiodide"	6518097	"NSC662251; Benzothiazole,Methiodide; CHEMBL1987628; NSC-662251"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662251	.	.	.	.	452.4	C19H21IN2OS	44.6	414	.	24	0	4	4	"InChI=1S/C19H21N2OS.HI/c1-20(2)15-11-9-14(13-17(15)22-4)10-12-19-21(3)16-7-5-6-8-18(16)23-19;/h5-13H,1-4H3;1H/q+1;/p-1"	C[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC(=C(C=C3)N(C)C)OC.[I-]	MBLDIFZSKMTADA-UHFFFAOYSA-M
DG63667	"(2E,5Z)-2-(1-benzylpyridin-1-ium-2-yl)imino-1,3-diphenyl-5-phenylimino-imidazolidine-4-thione"	6518831	"NSC671400; NSC-671400; (2E,5Z)-2-(1-benzylpyridin-1-ium-2-yl)imino-1,3-diphenyl-5-phenylimino-imidazolidine-4-thione; Pyridinium, 2-[[(2E,4Z)-1,3-diphenyl-4-(phenylimino)-5-thioxo-2-imidazolidinylidene]amino]-1-(phenylmethyl)-, bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671400	.	.	.	.	604.6	C33H26BrN5S	67.2	861	.	40	0	4	6	"InChI=1S/C33H26N5S.BrH/c39-32-31(34-27-17-7-2-8-18-27)37(28-19-9-3-10-20-28)33(38(32)29-21-11-4-12-22-29)35-30-23-13-14-24-36(30)25-26-15-5-1-6-16-26;/h1-24H,25H2;1H/q+1;/p-1"	C1=CC=C(C=C1)C[N+]2=CC=CC=C2/N=C/3\\N(C(=NC4=CC=CC=C4)C(=S)N3C5=CC=CC=C5)C6=CC=CC=C6.[Br-]	LOMJBXJXESETQC-UHFFFAOYSA-M
DG63668	"(E)-1-[3,5-bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-(4-fluorophenyl)prop-2-en-1-one;hydrochloride"	6519110	NSC677793; CHEMBL544894; NSC-677793	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677793	.	.	.	.	392.9	C21H26ClFN2O2	43.8	453	.	27	2	5	7	"InChI=1S/C21H25FN2O2.ClH/c1-23(2)13-17-11-16(12-18(21(17)26)14-24(3)4)20(25)10-7-15-5-8-19(22)9-6-15;/h5-12,26H,13-14H2,1-4H3;1H/b10-7+;"	CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)/C=C/C2=CC=C(C=C2)F.Cl	MEIDDOJVCKAUCZ-HCUGZAAXSA-N
DG63669	(E)-5-(diethylamino)-1-phenylpent-1-en-3-one;hydrochloride	6519127	NSC678343; CHEMBL544834; SCHEMBL11197211; NSC-678343	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678343	.	.	.	.	267.79	C15H22ClNO	20.3	237	.	18	1	2	7	"InChI=1S/C15H21NO.ClH/c1-3-16(4-2)13-12-15(17)11-10-14-8-6-5-7-9-14;/h5-11H,3-4,12-13H2,1-2H3;1H/b11-10+;"	CCN(CC)CCC(=O)/C=C/C1=CC=CC=C1.Cl	ITPJAXDRHSZEEJ-ASTDGNLGSA-N
DG63670	"1,3-bis[(Z)-[(E)-1-(4-chlorophenyl)-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-ylidene]amino]urea;hydrochloride"	6519178	CHEMBL1964359; NSC681135; NSC-681135	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681135	.	.	.	.	702.2	C37H51Cl3N6O	72.3	976	.	47	3	5	12	"InChI=1S/C37H50Cl2N6O.ClH/c1-36(2,27-44-23-7-5-8-24-44)33(21-15-29-11-17-31(38)18-12-29)40-42-35(46)43-41-34(22-16-30-13-19-32(39)20-14-30)37(3,4)28-45-25-9-6-10-26-45;/h11-22H,5-10,23-28H2,1-4H3,(H2,42,43,46);1H/b21-15+,22-16+,40-33-,41-34-;"	CC(/C(=N\\NC(=O)N/N=C(\\C(CN1CCCCC1)(C)C)/C=C/C2=CC=C(C=C2)Cl)/C=C/C3=CC=C(C=C3)Cl)(CN4CCCCC4)C.Cl	VUKIXGDYBZEWSX-WBBKZSMVSA-N
DG63671	"2-{4-[3-(3,4-Dichlorophenyl)-2-propenyloxy]phenyl}-methylene-6-dimethylaminomethyl cyclohexanone hydrochloride"	6519685	"MLS002702419; NSC693443; CHEMBL1901889; NSC-693443; SMR001565981; 2-{4-[3-(3,4-dichlorophenyl)-2-propenyloxy]phenyl}-methylene-6-dimethylaminomethyl cyclohexanone hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693443	.	.	.	.	494.8	C25H26Cl3NO3	46.6	682	.	32	1	4	7	"InChI=1S/C25H25Cl2NO3.ClH/c1-28(2)16-20-5-3-4-19(25(20)30)14-17-6-10-21(11-7-17)31-24(29)13-9-18-8-12-22(26)23(27)15-18;/h6-15,20H,3-5,16H2,1-2H3;1H/b13-9+,19-14+;"	CN(C)CC1CCC/C(=C\\C2=CC=C(C=C2)OC(=O)/C=C/C3=CC(=C(C=C3)Cl)Cl)/C1=O.Cl	OYQPNDAKJQAUBD-YITQAVLPSA-N
DG63672	(Z)-(2-Pyridyl)phenyl ketone (5-nitro-2-pyridyl)hydrazone	6519692	CHEMBL1967259; ZINC5933994; NSC693620; NSC-693620; (Z)-(2-Pyridyl)phenyl ketone (5-nitro-2-pyridyl)hydrazone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693620	.	.	.	.	319.32	C17H13N5O2	96	445	3.8	24	1	6	4	"InChI=1S/C17H13N5O2/c23-22(24)14-9-10-16(19-12-14)20-21-17(13-6-2-1-3-7-13)15-8-4-5-11-18-15/h1-12H,(H,19,20)/b21-17+"	C1=CC=C(C=C1)/C(=N\\NC2=NC=C(C=C2)[N+](=O)[O-])/C3=CC=CC=N3	VBORWHKZBJTTEU-HEHNFIMWSA-N
DG63673	"Androst-4-en-3-one, 3-O-[2-(diethylamino)ethyl]oxime, (17beta)-"	6520039	"CHEMBL1976294; NSC701573; NSC-701573; Androst-4-en-3-one, 3-O-[2-(diethylamino)ethyl]oxime, (17.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701573	.	.	.	.	426.6	C27H42N2O2	45.1	790	4.9	31	1	4	7	"InChI=1S/C27H42N2O2/c1-6-27(30)16-13-24-22-10-9-20-19-21(28-31-18-17-29(7-2)8-3)11-14-25(20,4)23(22)12-15-26(24,27)5/h1,19,22-24,30H,7-18H2,2-5H3/b28-21-/t22-,23+,24+,25+,26+,27+/m1/s1"	CCN(CC)CCO/N=C\\1/CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@]4(C#C)O)C)C	FRFIBWKMAMDHAY-IKGDYTMASA-N
DG63674	"Androst-4-en-3-one, 3-O-[2-(1-pyrrolidinyl)ethyl]oxime, (17beta)-"	6520040	"CHEMBL1996080; NSC701574; NSC-701574; Androst-4-en-3-one, 3-O-[2-(1-pyrrolidinyl)ethyl]oxime, (17.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701574	.	.	.	.	424.6	C27H40N2O2	45.1	818	4.6	31	1	4	5	"InChI=1S/C27H40N2O2/c1-4-27(30)14-11-24-22-8-7-20-19-21(28-31-18-17-29-15-5-6-16-29)9-12-25(20,2)23(22)10-13-26(24,27)3/h1,19,22-24,30H,5-18H2,2-3H3/b28-21-/t22-,23+,24+,25+,26+,27+/m1/s1"	C[C@]12CC/C(=N/OCCN3CCCC3)/C=C1CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@]5(C#C)O)C	MSACPCHIHVLAKU-IKGDYTMASA-N
DG63675	"Androst-4-en-3-one, 3-O-[2-(1-piperidinyl)ethyl]oxime, (17beta)-"	6520042	"CHEMBL1997445; NSC701575; NSC-701575; Androst-4-en-3-one, 3-O-[2-(1-piperidinyl)ethyl]oxime, (17.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701575	.	.	.	.	438.6	C28H42N2O2	45.1	834	5	32	1	4	5	"InChI=1S/C28H42N2O2/c1-4-28(31)15-12-25-23-9-8-21-20-22(29-32-19-18-30-16-6-5-7-17-30)10-13-26(21,2)24(23)11-14-27(25,28)3/h1,20,23-25,31H,5-19H2,2-3H3/b29-22-/t23-,24+,25+,26+,27+,28+/m1/s1"	C[C@]12CC/C(=N/OCCN3CCCCC3)/C=C1CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@]5(C#C)O)C	MLJQBZBIZKOJSO-GWSARYNTSA-N
DG63676	"(E)-2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[1-(3,5-dichlorophenyl)pyrrol-2-yl]prop-2-enenitrile"	6520161	NSC704319; CHEMBL2000458; NSC-704319	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704319	.	.	.	.	467.4	C22H20Cl2N8	109	795	4	32	1	7	4	"InChI=1S/C22H20Cl2N8/c1-13-11-22(2,3)32(30-13)21-28-19(27-20(26)29-21)14(12-25)7-17-5-4-6-31(17)18-9-15(23)8-16(24)10-18/h4-10H,11H2,1-3H3,(H2,26,27,28,29)/b14-7+"	CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)/C(=C/C3=CC=CN3C4=CC(=CC(=C4)Cl)Cl)/C#N	GALVMMJUMIYSMH-VGOFMYFVSA-N
DG63677	"(1S,5S,6R,10E,14R,15S,17R)-14-hydroxy-6,10,14-trimethyl-2-methylidene-4,16-dioxatricyclo[13.2.1.05,17]octadec-10-en-3-one"	6520568	NSC734918; NSC-734918	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734918	.	.	.	.	334.4	C20H30O4	55.8	552	3.4	24	1	4	0	"InChI=1S/C20H30O4/c1-12-7-5-9-13(2)17-18-15(14(3)19(21)24-17)11-16(23-18)20(4,22)10-6-8-12/h8,13,15-18,22H,3,5-7,9-11H2,1-2,4H3/b12-8+/t13-,15+,16+,17+,18-,20-/m1/s1"	C[C@@H]1CCC/C(=C/CC[C@@]([C@@H]2C[C@@H]3[C@H]([C@H]1OC(=O)C3=C)O2)(C)O)/C	RDFQYGQCGXTVIC-DQZSCPCJSA-N
DG63678	NSC718504	6520746	"2-(3-Ethyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-ylidenemethyl)-3-methyl-5-(ethoxycarbonyl)-1H-pyrrole-4-propionic acid ethyl ester; CHEMBL1986517; NSC718504; NSC-718504; 2-(3-Ethyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-ylidenemethyl)-3-methyl-5-(ethoxycarbonyl)-1H-pyrrole-4-propionic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718504	.	.	.	.	388.5	C21H28N2O5	97.5	682	2.7	28	2	5	10	"InChI=1S/C21H28N2O5/c1-6-14-13(5)20(25)23-17(14)11-16-12(4)15(9-10-18(24)27-7-2)19(22-16)21(26)28-8-3/h11,22H,6-10H2,1-5H3,(H,23,25)/b17-11-"	CCC\\1=C(C(=O)N/C1=C\\C2=C(C(=C(N2)C(=O)OCC)CCC(=O)OCC)C)C	QHLGEWFJGYRRAC-BOPFTXTBSA-N
DG63679	2-[(Z)-Methoxyimino]-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]acetic acid methyl ester	6520817	NSC718135; CHEMBL1981953; NSC-718135; 2-[(Z)-Methoxyimino]-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]acetic acid methyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718135	.	.	.	.	367.3	C18H16F3NO4	57.1	495	4.6	26	0	8	7	"InChI=1S/C18H16F3NO4/c1-24-17(23)16(22-25-2)15-9-4-3-6-12(15)11-26-14-8-5-7-13(10-14)18(19,20)21/h3-10H,11H2,1-2H3/b22-16+"	COC(=O)/C(=N/OC)/C1=CC=CC=C1COC2=CC=CC(=C2)C(F)(F)F	OJTNAYGNGOALRM-CJLVFECKSA-N
DG63680	2-[(Z)-Methoxyimino]-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetic acid methyl ester	6520923	NSC720765; 248582-73-2; CHEMBL1993121; DTXSID30424856; NSC-720765; Methyl (E)-O-methyloxyimino-2-[2-(trifluoromethyl)phenoxymethyl]phe nylacetate; 2-[(Z)-Methoxyimino]-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetic acid methyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720765	.	.	.	.	367.3	C18H16F3NO4	57.1	495	4.6	26	0	8	7	"InChI=1S/C18H16F3NO4/c1-24-17(23)16(22-25-2)13-8-4-3-7-12(13)11-26-15-10-6-5-9-14(15)18(19,20)21/h3-10H,11H2,1-2H3/b22-16+"	COC(=O)/C(=N/OC)/C1=CC=CC=C1COC2=CC=CC=C2C(F)(F)F	BMHRZODGWOUWQK-CJLVFECKSA-N
DG63681	2-[3-(4-Chloro-phenyl)-3-(6-ethoxy-benzothiazol-2-ylsulfanyl)-allylidene]-malononitrile	6522377	NSC727951; NSC-727951; 2-[3-(4-Chloro-phenyl)-3-(6-ethoxy-benzothiazol-2-ylsulfanyl )-allylidene]-malononitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727951	.	.	.	.	423.9	C21H14ClN3OS2	123	681	6.3	28	0	6	6	"InChI=1S/C21H14ClN3OS2/c1-2-26-17-8-9-18-20(11-17)28-21(25-18)27-19(10-3-14(12-23)13-24)15-4-6-16(22)7-5-15/h3-11H,2H2,1H3/b19-10+"	CCOC1=CC2=C(C=C1)N=C(S2)S/C(=C/C=C(C#N)C#N)/C3=CC=C(C=C3)Cl	SUSXABDYIIGQSX-VXLYETTFSA-N
DG63682	2-[3-(6-Ethoxy-benzothiazol-2-ylsulfanyl)-3-p-tolyl-allylide ne]-malononitrile	6529944	NSC728218; NSC-728218; 2-[3-(6-Ethoxy-benzothiazol-2-ylsulfanyl)-3-p-tolyl-allylide ne]-malononitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728218	.	.	.	.	403.5	C22H17N3OS2	123	675	6	28	0	6	6	"InChI=1S/C22H17N3OS2/c1-3-26-18-9-10-19-21(12-18)28-22(25-19)27-20(11-6-16(13-23)14-24)17-7-4-15(2)5-8-17/h4-12H,3H2,1-2H3/b20-11+"	CCOC1=CC2=C(C=C1)N=C(S2)S/C(=C/C=C(C#N)C#N)/C3=CC=C(C=C3)C	OHXWFXOVGDRAPA-RGVLZGJSSA-N
DG63683	1-Aza-9-oxafluorene deriv. 7d	6538870	"1-aza-9-oxafluorene deriv. 7d; BDBM7455; CHEMBL361565; NSC728336; NSC-728336; 3-Chlor-6-hydroxy-4-phenylbenzo[4,3-b]pyridine; 4-chloro-3-phenyl-8-oxa-6-azatricyclo[7.4.0.0;{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-12-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728336	.	.	.	.	295.7	C17H10ClNO2	46.3	374	4.8	21	1	3	1	"InChI=1S/C17H10ClNO2/c18-13-9-19-17-16(15(13)10-4-2-1-3-5-10)12-8-11(20)6-7-14(12)21-17/h1-9,20H"	C1=CC=C(C=C1)C2=C3C4=C(C=CC(=C4)O)OC3=NC=C2Cl	ZIQWKLHPPBMFJB-UHFFFAOYSA-N
DG63684	"Pyrazolo[1,5-b]pyridazine deriv. 22"	6539364	"GW805758X; pyrazolo[1,5-b]pyridazine deriv. 22; BDBM8131; CHEMBL359963; HMS3303O04; HMS3305L02; EX-A4959; NSC756364; NSC-756364; NCGC00241950-01; GW805758; AB01092404-01; N-(4-Isopropylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine; N-[4-(propan-2-yl)phenyl]-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756364	.	.	.	.	330.4	C19H18N6	68	422	3.6	25	1	5	4	"InChI=1S/C19H18N6/c1-13(2)14-5-7-15(8-6-14)23-19-20-11-9-17(24-19)16-12-22-25-18(16)4-3-10-21-25/h3-13H,1-2H3,(H,20,23,24)"	CC(C)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=C4C=CC=NN4N=C3	UODXTGBFBIFREQ-UHFFFAOYSA-N
DG63685	"Pyrazolo[1,5-b]pyridazine deriv. 40"	6539382	"pyrazolo[1,5-b]pyridazine deriv. 40; GW811761X; BDBM8149; CHEMBL183993; HMS3303M10; HMS3305A05; NSC756375; NSC-756375; NCGC00242026-01; AB01092292-01; 4-{6-ethoxypyrazolo[1,5-a]pyridazin-3-yl}-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine; 4-[6-(Ethyloxy)pyrazolo[1,5-b]pyridazin-3-yl]-N-[3-(trifluoromethyl)phenyl]-2-pyrimidinamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756375	.	.	.	.	400.4	C19H15F3N6O	77.2	539	4	29	1	9	5	"InChI=1S/C19H15F3N6O/c1-2-29-17-7-6-16-14(11-24-28(16)27-17)15-8-9-23-18(26-15)25-13-5-3-4-12(10-13)19(20,21)22/h3-11H,2H2,1H3,(H,23,25,26)"	CCOC1=NN2C(=C(C=N2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C(F)(F)F)C=C1	WNKSRDBBYKDORB-UHFFFAOYSA-N
DG63686	"Pyrazolo[1,5-b]pyridazine deriv. 43"	6539385	"pyrazolo[1,5-b]pyridazine deriv. 43; GW810372X; BDBM8152; CHEMBL365248; HMS3303K08; HMS3305C05; NSC756372; NSC-756372; NCGC00241993-01; AB01092290-01; 4-{6-methoxypyrazolo[1,5-a]pyridazin-3-yl}-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756372	.	.	.	.	402.3	C18H13F3N6O2	86.5	542	3.9	29	1	10	5	"InChI=1S/C18H13F3N6O2/c1-28-16-6-5-15-13(10-23-27(15)26-16)14-7-8-22-17(25-14)24-11-3-2-4-12(9-11)29-18(19,20)21/h2-10H,1H3,(H,22,24,25)"	COC1=NN2C(=C(C=N2)C3=NC(=NC=C3)NC4=CC(=CC=C4)OC(F)(F)F)C=C1	IXSZNCPQZGGHKB-UHFFFAOYSA-N
DG63687	"Pyrazolo[1,5-b]pyridazine deriv. 48"	6539390	"pyrazolo[1,5-b]pyridazine deriv. 48; GW807982X; 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{N}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine; BDBM8157; CHEMBL188426; HMS3303L08; HMS3305D12; NSC756369; NSC-756369; NCGC00241994-01; AB01092289-01; 4-{6-ethoxypyrazolo[1,5-a]pyridazin-3-yl}-N-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756369	.	.	.	.	430.4	C20H17F3N6O2	86.5	586	4	31	1	10	6	"InChI=1S/C20H17F3N6O2/c1-3-31-18-5-4-17-15(11-25-29(17)28-18)16-6-7-24-19(27-16)26-13-8-12(20(21,22)23)9-14(10-13)30-2/h4-11H,3H2,1-2H3,(H,24,26,27)"	CCOC1=NN2C(=C(C=N2)C3=NC(=NC=C3)NC4=CC(=CC(=C4)C(F)(F)F)OC)C=C1	FXUBIYKZSFWJQZ-UHFFFAOYSA-N
DG63688	"Pyrazolo[1,5-b]pyridazine deriv. 67"	6539409	"GW827099X; pyrazolo[1,5-b]pyridazine deriv. 67; BDBM8176; CHEMBL365297; SCHEMBL4479780; HMS3303P19; HMS3305G13; NSC756384; NSC-756384; NCGC00242155-01; AB01092294-01; N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridazin-3-yl]pyrimidin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756384	.	.	.	.	440.4	C24H17FN6O2	86.5	652	3.9	33	1	8	4	"InChI=1S/C24H17FN6O2/c25-16-5-3-15(4-6-16)23-22(19-2-1-10-27-31(19)30-23)18-9-11-26-24(29-18)28-17-7-8-20-21(14-17)33-13-12-32-20/h1-11,14H,12-13H2,(H,26,28,29)"	C1COC2=C(O1)C=CC(=C2)NC3=NC=CC(=N3)C4=C5C=CC=NN5N=C4C6=CC=C(C=C6)F	VCIUEFSUNSUNPA-UHFFFAOYSA-N
DG63689	"N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine"	6539414	"GW827106X; pyrazolo[1,5-b]pyridazine deriv. 72; N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine; 681432-07-5; BDBM8181; CHEMBL188257; SCHEMBL4487935; HMS3303M19; HMS3305J01; NSC756387; NSC-756387; NCGC00242152-01; AB01092297-01; N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridazin-3-yl]pyrimidin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756387	.	.	.	.	452.5	C25H20N6O3	95.7	665	3.8	34	1	8	5	"InChI=1S/C25H20N6O3/c1-32-18-7-4-16(5-8-18)24-23(20-3-2-11-27-31(20)30-24)19-10-12-26-25(29-19)28-17-6-9-21-22(15-17)34-14-13-33-21/h2-12,15H,13-14H2,1H3,(H,26,28,29)"	COC1=CC=C(C=C1)C2=NN3C(=C2C4=NC(=NC=C4)NC5=CC6=C(C=C5)OCCO6)C=CC=N3	PHMQSKGFSDGFMK-UHFFFAOYSA-N
DG63690	"Pyrazolo[1,5-b]pyridazine deriv. 80"	6539422	"pyrazolo[1,5-b]pyridazine deriv. 80; GW827102X; BDBM8189; CHEMBL362155; SCHEMBL4474674; HMS3303O19; HMS3305D09; NSC756385; NSC-756385; NCGC00242154-01; AB01092295-01; N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridazin-3-yl}pyrimidin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756385	.	.	.	.	490.4	C25H17F3N6O2	86.5	747	4.7	36	1	10	4	"InChI=1S/C25H17F3N6O2/c26-25(27,28)16-4-1-3-15(13-16)23-22(19-5-2-9-30-34(19)33-23)18-8-10-29-24(32-18)31-17-6-7-20-21(14-17)36-12-11-35-20/h1-10,13-14H,11-12H2,(H,29,31,32)"	C1COC2=C(O1)C=CC(=C2)NC3=NC=CC(=N3)C4=C5C=CC=NN5N=C4C6=CC(=CC=C6)C(F)(F)F	OIPORLPSIAFDJE-UHFFFAOYSA-N
DG63691	"4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine"	6539424	"GW829055X; pyrazolo[1,5-b]pyridazine deriv. 82; BDBM8191; CHEMBL189148; SCHEMBL4489350; HMS3303O20; HMS3305E02; NSC756391; NSC-756391; 4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine; NCGC00242169-01; AB01092301-01; 4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridazin-3-yl]-N-phenylpyrimidin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756391	.	.	.	.	398.8	C22H15ClN6	68	521	4.7	29	1	5	4	"InChI=1S/C22H15ClN6/c23-16-10-8-15(9-11-16)21-20(19-7-4-13-25-29(19)28-21)18-12-14-24-22(27-18)26-17-5-2-1-3-6-17/h1-14H,(H,24,26,27)"	C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=C4C=CC=NN4N=C3C5=CC=C(C=C5)Cl	KFMDNTIUGNJKPB-UHFFFAOYSA-N
DG63692	"Pyrazolo[1,5-b]pyridazine deriv. 88"	6539430	"pyrazolo[1,5-b]pyridazine deriv. 88; GW829906X; BDBM8197; CHEMBL434729; SCHEMBL4476648; HMS3303H17; HMS3305G23; NSC756395; NSC-756395; NCGC00242131-01; AB01092303-01; 4-{6-methyl-2-phenylpyrazolo[1,5-a]pyridazin-3-yl}-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756395	.	.	.	.	446.4	C24H17F3N6	68	642	5.4	33	1	8	4	"InChI=1S/C24H17F3N6/c1-15-10-11-20-21(22(32-33(20)31-15)16-6-3-2-4-7-16)19-12-13-28-23(30-19)29-18-9-5-8-17(14-18)24(25,26)27/h2-14H,1H3,(H,28,29,30)"	CC1=NN2C(=C(C(=N2)C3=CC=CC=C3)C4=NC(=NC=C4)NC5=CC=CC(=C5)C(F)(F)F)C=C1	YYNPIMSTDPEJPS-UHFFFAOYSA-N
DG63693	"Pyrazolo[1,5-b]pyridazine deriv. 97"	6539439	"pyrazolo[1,5-b]pyridazine deriv. 97; GW832467X; BDBM8206; CHEMBL188247; SCHEMBL8320682; HMS3303A16; HMS3305L01; NSC756401; NSC-756401; NCGC00242109-01; AB01092304-01; N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridazin-3-yl}pyrimidin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756401	.	.	.	.	504.5	C26H19F3N6O2	86.5	769	5.1	37	1	10	4	"InChI=1S/C26H19F3N6O2/c1-15-2-8-20-23(24(34-35(20)33-15)16-3-5-17(6-4-16)26(27,28)29)19-10-11-30-25(32-19)31-18-7-9-21-22(14-18)37-13-12-36-21/h2-11,14H,12-13H2,1H3,(H,30,31,32)"	CC1=NN2C(=C(C(=N2)C3=CC=C(C=C3)C(F)(F)F)C4=NC(=NC=C4)NC5=CC6=C(C=C5)OCCO6)C=C1	JLEUOCWABWBHQW-UHFFFAOYSA-N
DG63694	"4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine"	6539440	"GW833373X; gw 833373x; 681432-85-9; pyrazolo[1,5-b]pyridazine deriv. 98; 4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine; BDBM8207; CHEMBL189459; SCHEMBL4480568; HMS3303L19; HMS3305I02; NSC756402; ZINC13582752; NSC-756402; NCGC00242151-01; AB01092305-01; 4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridazin-3-yl]-N-phenylpyrimidin-2-amine; 4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]-n-phenyl-2-pyrimidinamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756402	.	.	.	.	396.4	C23H17FN6	68	550	4.6	30	1	6	4	"InChI=1S/C23H17FN6/c1-15-7-12-20-21(22(29-30(20)28-15)16-8-10-17(24)11-9-16)19-13-14-25-23(27-19)26-18-5-3-2-4-6-18/h2-14H,1H3,(H,25,26,27)"	CC1=NN2C(=C(C(=N2)C3=CC=C(C=C3)F)C4=NC(=NC=C4)NC5=CC=CC=C5)C=C1	QKEWQKWUSAUMEH-UHFFFAOYSA-N
DG63695	4-Arylmaleimide deriv. 6p	6539466	"SB-390527; 4-arylmaleimide deriv. 6p; BDBM8233; CHEMBL160937; HMS3303F04; HMS3305O05; NSC756448; NSC-756448; NCGC00241941-01; AB01092115-01; 2-(3-Hydroxyphenylamino)-3-(2-chlorophenyl)maleimide; 3-(2-chlorophenyl)-4-[(3-hydroxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756448	.	.	.	.	314.72	C16H11ClN2O3	78.4	506	3	22	3	4	3	"InChI=1S/C16H11ClN2O3/c17-12-7-2-1-6-11(12)13-14(16(22)19-15(13)21)18-9-4-3-5-10(20)8-9/h1-8,20H,(H2,18,19,21,22)"	C1=CC=C(C(=C1)C2=C(C(=O)NC2=O)NC3=CC(=CC=C3)O)Cl	RSOMSYHDLLNJGQ-UHFFFAOYSA-N
DG63696	4-Arylmaleimide deriv. 8g	6539522	"SB-361058; 4-arylmaleimide deriv. 8g; BDBM8292; CHEMBL347580; HMS3303L17; HMS3305C16; NSC756445; NSC-756445; NCGC00242135-01; AB01092112-01; 2-(Indoline-1-yl)-3-(4-methoxyphenyl)maleimide; 3-(2,3-dihydro-1H-indol-1-yl)-4-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756445	.	.	.	.	320.3	C19H16N2O3	58.6	563	2.8	24	1	4	3	"InChI=1S/C19H16N2O3/c1-24-14-8-6-13(7-9-14)16-17(19(23)20-18(16)22)21-11-10-12-4-2-3-5-15(12)21/h2-9H,10-11H2,1H3,(H,20,22,23)"	COC1=CC=C(C=C1)C2=C(C(=O)NC2=O)N3CCC4=CC=CC=C43	OXYHNOHLBLUYKQ-UHFFFAOYSA-N
DG63697	Pyrazolopyridazine deriv. 13	6539558	"SB-678557-A; pyrazolopyridazine deriv. 13; BDBM8333; CHEMBL406125; NSC756463; NSC-756463; NCGC00242148-01; AB01092122-01; 1-methyl-N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}piperidine-4-carboxamide; N-(5-Phenyl-1H-pyrazolo[3,4-c]pyridazine-3-yl)-1-methylpiperidine-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756463	.	.	.	.	336.4	C18H20N6O	86.8	461	1.5	25	2	5	3	"InChI=1S/C18H20N6O/c1-24-9-7-13(8-10-24)18(25)19-16-14-11-15(12-5-3-2-4-6-12)20-22-17(14)23-21-16/h2-6,11,13H,7-10H2,1H3,(H2,19,21,22,23,25)"	CN1CCC(CC1)C(=O)NC2=NNC3=NN=C(C=C32)C4=CC=CC=C4	DSHMUQCEERJXOA-UHFFFAOYSA-N
DG63698	Pyrazolopyridazine deriv. 16	6539561	"SB-675259-M; pyrazolopyridazine deriv. 16; CHEMBL35785; BDBM8336; NSC756462; NSC-756462; NCGC00241967-01; AB01092121-01; N-[5-(3-Pyridinyl)-1H-pyrazolo[3,4-c]pyridazine-3-yl]cyclopropanecarboxamide; N-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756462	.	.	.	.	280.28	C14H12N6O	96.4	401	0.4	21	2	5	3	"InChI=1S/C14H12N6O/c21-14(8-3-4-8)16-12-10-6-11(9-2-1-5-15-7-9)17-19-13(10)20-18-12/h1-2,5-8H,3-4H2,(H2,16,18,19,20,21)"	C1CC1C(=O)NC2=NNC3=NN=C(C=C32)C4=CN=CC=C4	AGSPQSKJPUNTNL-UHFFFAOYSA-N
DG63699	"N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]-1-ethylpiperidine-4-carboxamide"	6539563	"SB-686709-A; pyrazolopyridazine deriv. 18; CHEMBL39300; BDBM8338; NSC756465; NSC-756465; N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]-1-ethylpiperidine-4-carboxamide; NCGC00241960-01; AB01092123-01; N-[5-(2,3-Difluorophenyl)-1H-pyrazolo[3,4-c]pyridazine-3-yl]-1-ethylpiperidine-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756465	.	.	.	.	386.4	C19H20F2N6O	86.8	547	2	28	2	7	4	"InChI=1S/C19H20F2N6O/c1-2-27-8-6-11(7-9-27)19(28)22-17-13-10-15(23-25-18(13)26-24-17)12-4-3-5-14(20)16(12)21/h3-5,10-11H,2,6-9H2,1H3,(H2,22,24,25,26,28)"	CCN1CCC(CC1)C(=O)NC2=NNC3=NN=C(C=C32)C4=C(C(=CC=C4)F)F	XMLJBPQUTWBABY-UHFFFAOYSA-N
DG63700	"N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide"	6539564	"SB-698596-AC; pyrazolopyridazine deriv. 19; CHEMBL38425; BDBM8339; NSC756466; NSC-756466; NCGC00242138-01; N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide; AB01092519-01; N-[5-(2,3-Difluorophenyl)-1H-pyrazolo[3,4-c]pyridazine-3-yl]-1-ethylpiperidine-4-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756466	.	.	.	.	400.4	C20H22F2N6O	86.8	561	2.3	29	2	7	5	"InChI=1S/C20H22F2N6O/c1-2-28-8-6-12(7-9-28)10-17(29)23-19-14-11-16(24-26-20(14)27-25-19)13-4-3-5-15(21)18(13)22/h3-5,11-12H,2,6-10H2,1H3,(H2,23,25,26,27,29)"	CCN1CCC(CC1)CC(=O)NC2=NNC3=NN=C(C=C32)C4=C(C(=CC=C4)F)F	OGFGCRFMUGVFGM-UHFFFAOYSA-N
DG63701	N-(6-phenyl-1H-indazol-3-yl)cyclopropanecarboxamide	6539593	CHEMBL405021; SB-732941; indazole analogue 11; N-(6-phenyl-1H-indazol-3-yl)cyclopropanecarboxamide; BDBM8369; SCHEMBL4500013; NSC756471; NSC-756471; NCGC00242141-01; AB01092127-01; 3-(Cyclopropylcarbonylamino)-6-phenyl-1H-indazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756471	.	.	.	.	277.32	C17H15N3O	57.8	390	3.1	21	2	2	3	"InChI=1S/C17H15N3O/c21-17(12-6-7-12)18-16-14-9-8-13(10-15(14)19-20-16)11-4-2-1-3-5-11/h1-5,8-10,12H,6-7H2,(H2,18,19,20,21)"	C1CC1C(=O)NC2=NNC3=C2C=CC(=C3)C4=CC=CC=C4	XMBGRSAVBPRZAS-UHFFFAOYSA-N
DG63702	N-[6-(3-sulfamoylphenyl)-1H-indazol-3-yl]cyclopropanecarboxamide	6539598	CHEMBL407113; SB-741905; indazole analogue 16; BDBM8374; HMS3303L05; HMS3305D10; N-[6-(3-sulfamoylphenyl)-1H-indazol-3-yl]cyclopropanecarboxamide; NSC756482; NSC-756482; NCGC00241963-01; AB01092132-01; 3-(Cyclopropylcarbonylamino)-6-(3-sulfamoylphenyl)-1H-indazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756482	.	.	.	.	356.4	C17H16N4O3S	126	616	1.7	25	3	5	4	"InChI=1S/C17H16N4O3S/c18-25(23,24)13-3-1-2-11(8-13)12-6-7-14-15(9-12)20-21-16(14)19-17(22)10-4-5-10/h1-3,6-10H,4-5H2,(H2,18,23,24)(H2,19,20,21,22)"	C1CC1C(=O)NC2=NNC3=C2C=CC(=C3)C4=CC(=CC=C4)S(=O)(=O)N	AXXSVTAXFAAJTE-UHFFFAOYSA-N
DG63703	Indazole analogue 17	6539599	SB-742864; indazole analogue 17; BDBM8375; CHEMBL103080; HMS3303J04; HMS3305B16; NSC756483; NSC-756483; NCGC00241945-01; AB01092133-01; 3-(Cyclopropylcarbonylamino)-6-[3-(methylsulfonylamino)phenyl]-1H-indazole; N-[6-(3-methanesulfonamidophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756483	.	.	.	.	370.4	C18H18N4O3S	112	631	2.1	26	3	5	5	"InChI=1S/C18H18N4O3S/c1-26(24,25)22-14-4-2-3-12(9-14)13-7-8-15-16(10-13)20-21-17(15)19-18(23)11-5-6-11/h2-4,7-11,22H,5-6H2,1H3,(H2,19,20,21,23)"	CS(=O)(=O)NC1=CC=CC(=C1)C2=CC3=C(C=C2)C(=NN3)NC(=O)C4CC4	FUQAHBLEGDXXKS-UHFFFAOYSA-N
DG63704	"N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide"	6539611	"SB-739452; CHEMBL408564; pyrazolo[3,4-b]pyridine analogue 34; BDBM8392; HMS3303A02; HMS3305H17; NSC756481; NSC-756481; N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide; NCGC00241905-01; AB01092131-01; 3-(Cyclopropylcarbonylamino)-5-bromo-6-(2-furanyl)-1H-pyrazolo[3,4-b]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756481	.	.	.	.	347.17	C14H11BrN4O2	83.8	420	2.2	21	2	4	3	"InChI=1S/C14H11BrN4O2/c15-9-6-8-12(16-11(9)10-2-1-5-21-10)18-19-13(8)17-14(20)7-3-4-7/h1-2,5-7H,3-4H2,(H2,16,17,18,19,20)"	C1CC1C(=O)NC2=NNC3=NC(=C(C=C32)Br)C4=CC=CO4	GVYKLTFFLMMUEN-UHFFFAOYSA-N
DG63705	"Pyrazolo[3,4-b]pyridine analogue 37"	6539614	"CHEMBL101747; SB-739245-AC; pyrazolo[3,4-b]pyridine analogue 37; BDBM8395; NSC756480; NSC-756480; NCGC00242025-01; AB01092520-01; 2-(1-Ethylpiperidine-4-yl)-N-[5-bromo-6-(2-thienyl)-1H-pyrazolo[3,4-b]pyridine-3-yl]acetamide; N-[5-bromo-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756480	.	.	.	.	448.4	C19H22BrN5OS	102	518	3.5	27	2	5	5	"InChI=1S/C19H22BrN5OS/c1-2-25-7-5-12(6-8-25)10-16(26)21-18-13-11-14(20)17(15-4-3-9-27-15)22-19(13)24-23-18/h3-4,9,11-12H,2,5-8,10H2,1H3,(H2,21,22,23,24,26)"	CCN1CCC(CC1)CC(=O)NC2=NNC3=NC(=C(C=C32)Br)C4=CC=CS4	GHOXGYVOJHFBKS-UHFFFAOYSA-N
DG63706	Astrafloksin	6540442	"Basic Red 12; Astrafloksin; 6320-14-5; Cosmophloxine F; Brilliant Pink AS; Astraphloxin; C.I. Basic Red 12; Astraphloxine; Astra Phloxine; C.I. 48070; Acronol Phloxine FF; Astra Phloxine G Extra; Aizen Astra Phloxine FF; Tokyo Aniline Astraphloxine FF; NSC 31780; (2Z)-1,3,3-trimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole;chloride; (2Z)-1,3,3-trimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole,chloride; 3H-Indolium,2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl]-1,3,3-trimethyl-, chloride; C25H29N2.Cl; SCHEMBL16111523; NSC31780; MFCD00071911; NSC-31780; AS-13993; T303; A914840; 1, 3, 3- Trimethyl- 2- [3- (1, 3, 3- trimethyl- 1, 3- di; 3H-Indolium,3,3-trimethyl-2-[3-(1,3,3-trimethyl-2-indolinylidene)propenyl]-, chloride; 2-[3-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-propenyl]-1,3,3-trimethyl-3H-indolium chloride; 3H-Indolium,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl]-1,3,3-trimethyl-, chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	31780	.	.	.	.	393	C25H29ClN2	6.2	623	.	28	0	2	2	"InChI=1S/C25H29N2.ClH/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;/h7-17H,1-6H3;1H/q+1;/p-1"	CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C\\3/C(C4=CC=CC=C4N3C)(C)C)C)C.[Cl-]	QCGOYKXFFGQDFY-UHFFFAOYSA-M
DG63707	"Daunorubicin, benzoylhydrazone, monohydrochloride"	6540456	"NSC164011; RP-22,050 hydrochloride; Daunorubicin, benzoylhydrazone, monohydrochloride; SCHEMBL1651187; CHEMBL2009658; N-[(E)-1-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]benzamide; Benzoic acid, (1-(4-((3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy)-1,- 2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)ethylidene)hydrazide, monohydrochloride, (2S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	164011	.	.	.	.	645.7	C34H35N3O10	210	1230	3.8	47	6	12	6	"InChI=1S/C34H35N3O10/c1-15-28(38)20(35)12-23(46-15)47-22-14-34(44,16(2)36-37-33(43)17-8-5-4-6-9-17)13-19-25(22)32(42)27-26(30(19)40)29(39)18-10-7-11-21(45-3)24(18)31(27)41/h4-11,15,20,22-23,28,38,40,42,44H,12-14,35H2,1-3H3,(H,37,43)/b36-16+/t15 ,20 ,22-,23 ,28 ,34-/m0/s1"	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/NC(=O)C6=CC=CC=C6)/C)O)N)O	FBTUMDXHSRTGRV-KYIOHIHWSA-N
DG63708	"N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine"	6603857	"GW2974; 202272-68-2; EGFR/HER2 Inhibitor; CHEMBL30432; GW282974X; 4-N-(1-benzylindazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine; N4-(1-Benzyl-1H-indazol-5-yl)-N6,N6-dimethyl-pyrido [3,4-d]pyrimidine-4,6-diamine; N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine; GW 2974; GW-2974; Lopac-G-0668; Lopac0_000509; SCHEMBL1737530; CHEBI:95273; DTXSID40424963; HMS3261F19; HMS3303J07; HMS3305C14; Tox21_500509; BDBM50099963; GW-974; MFCD04974495; NSC756204; ZINC18371391; CCG-204600; LP00509; NSC-756204; SDCCGSBI-0050493.P002; N4-(1-Benzyl-1H-indazol-5-yl)-N6,N6-dimethyl-pyrido-[3,4-d]-pyrimidine-4,6-diamine; SMP2_000268; SMP2_000301; NCGC00015468-01; NCGC00015468-02; NCGC00015468-03; NCGC00015468-04; NCGC00015468-05; NCGC00015468-06; NCGC00015468-07; NCGC00093907-01; NCGC00093907-02; NCGC00261194-01; GW2974, >=98% (HPLC), solid; EU-0100509; G 0668; AB01092265-01; SR-01000075892; J-013131; SR-01000075892-1; Q27167122; N*4*-(1-Benzyl-1H-indazol-5-yl)-N*6*,N*6*-dimethyl-pyrido[3,4-d]pyrimidine-4,6-diamine; N4-(1-Benzyl-1H-indazol-5-yl)-N6,N6-dimethyl-pyrido[3,4-d]pyrimidine-4,6-diamine; N4-(1-Benzyl-1H-indazol-5-yl)-N6,N6-dimethyl-pyrido[3,4-d]pyrimidine4-4,6-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756204	.	.	.	.	395.5	C23H21N7	71.8	552	4	30	1	6	5	"InChI=1S/C23H21N7/c1-29(2)22-11-19-20(13-24-22)25-15-26-23(19)28-18-8-9-21-17(10-18)12-27-30(21)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,25,26,28)"	CN(C)C1=NC=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N(N=C4)CC5=CC=CC=C5	DYYZXRCFCVDSKD-UHFFFAOYSA-N
DG63709	NSC758667	6708778	"(8aR,9R)-5-[[(2R,4aR,6R,7R,8R)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one; Teniposide [USAN]; Spectrum_001549; SpecPlus_000792; Spectrum2_001647; Spectrum3_001898; Spectrum4_000585; Spectrum5_001111; BSPBio_003436; KBioGR_001050; KBioSS_002029; DivK1c_006888; SPECTRUM1504094; SPBio_001773; CHEMBL3039470; CHEBI:91649; KBio1_001832; KBio2_002029; KBio2_004597; KBio2_007165; KBio3_002939; HMS1922B15; HMS2093O15; Pharmakon1600-01504094; CCG-39074; NSC758667; NSC-758667; NCGC00178065-03; SBI-0052684.P002; AB00053187_02; SR-05000001886; SR-05000001886-1; BRD-A35588707-001-02-2; Q27163474; (8aR,9R)-5-[[(2R,4aR,6R,7R,8R)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758667	.	.	.	.	656.7	C32H32O13S	189	1090	1.2	46	3	14	6	"InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16 ,21-,23-,24+,26-,27-,28 ,29 ,31-,32+/m1/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H](C7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-OQMCATNJSA-N
DG63710	Pharmakon1600-01500903	6708815	Spectrum_000246; SpecPlus_000941; Spectrum2_000462; Spectrum3_000732; Spectrum4_001828; Spectrum5_000595; BSPBio_002284; KBioGR_002501; KBioSS_000726; DivK1c_007037; SPECTRUM1500903; SPBio_000564; SCHEMBL12211570; KBio1_001981; KBio2_000726; KBio2_003294; KBio2_005862; KBio3_001504; HMS1921M18; HMS2092O04; Pharmakon1600-01500903; CCG-38701; NSC757804; NSC-757804; SDCCGMLS-0066692.P001; AB00052436_02; SR-05000001729; SR-05000001729-1; BRD-A33280134-001-02-1; BRD-A33280134-001-03-9	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757804	.	.	.	.	588.6	C29H32O13	161	969	0.6	42	3	13	5	"InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11 ,15 ,20-,21-,22+,24-,25-,26 ,27-,29 /m1/s1"	CC1OC[C@@H]2[C@@H](O1)[C@@H]([C@H](C(O2)OC3C4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-GEGAHKOSSA-N
DG63711	Pharmakon1600-01504300	6710691	NSC-758881; Spectrum_001709; Spectrum2_001678; Spectrum3_001670; Spectrum4_000637; Spectrum5_001472; BSPBio_003459; KBioGR_001254; KBioSS_002189; SPECTRUM1504300; SPBio_001895; KBio2_002189; KBio2_004757; KBio2_007325; KBio3_002679; HMS1922J19; HMS2093G10; Pharmakon1600-01504300; 111466-62-7; CCG-39096; NSC758881; NCGC00178051-01; SBI-0206793.P001; AB01563297_01; SR-05000001995; SR-05000001995-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758881	.	.	.	.	495.7	C29H53NO5	81.7	579	10	35	1	5	23	"InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26+,27+/m0/s1"	CCCCCCCCCCC[C@@H](C[C@@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O	AHLBNYSZXLDEJQ-GWMMUDDPSA-N
DG63712	Drosophilin B	6711172	"Pleuromutilin; Drosophilin B; Drosopholin B; Glycolic acid, 8-ester with mutilin; BC 757; NSC121145; 125-65-5; NSC-121145; CHEMBL1976245; ZINC5047644; NCI60_000496; Acetic acid, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester, [3aS-(3a.alpha.,4.beta.,5.alpha.,6.alpha.,8.beta.,9.alpha.,9a.beta.,10S*)]-; Glycolic acid,8-dihydroxy-4,6,9,10-tetramethyl-6-vinyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121145	.	.	.	.	378.5	C22H34O5	83.8	645	3.5	27	2	5	4	"InChI=1S/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3/t13-,14+,16-,18+,19+,20-,21-,22+/m1/s1"	C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CO)C	ZRZNJUXESFHSIO-VYTKZBNOSA-N
DG63713	T-2 mycotoxin	6711181	"Insariotoxin; T-2 mycotoxin; Fusariotoxin T 2; T 2 Toxin; Toxin T 2; MYCOTOXIN T2; T-2 TOXIN; 21259-20-1; NSC138780; T-2toxin; 8-(3-Methylbutyryloxy)diacetoxyscirpenol; Scirpenol, 8-(3-methylbutyryloxy)-diacetoxy-; CHEMBL1989781; NP486; C24H34O9; STL578401; AKOS032429781; NSC-138780; NCI60_000873; 3.alpha.-Hydroxy-4.beta.,13-epoxy-trichothec-9-ene; Trichothec-9-ene-3.alpha.,8.alpha.,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-isovalerate; (3alpha,4beta,8alpha,12R)-4,15-bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate; Trichothec-9-ene-3,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-(3-methylbutanoate), (3.alpha.,4.beta.,8.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	138780	.	.	.	.	466.5	C24H34O9	121	881	0.9	33	1	9	9	"InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21 ,22+,23+,24+/m0/s1"	CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H](C([C@]34CO4)O2)O)OC(=O)C)C)COC(=O)C	BXFOFFBJRFZBQZ-PPFYZKLNSA-N
DG63714	Wln: GA N-O3*3	6711183	NCI60_001065; WLN: GA N-O3*3	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15200	.	.	.	.	132.736	GaHNO3	66	24.8	.	5	1	3	0	"InChI=1S/Ga.HNO3/c;2-1(3)4/h;(H,2,3,4)"	[N+](=O)(O)[O-].[Ga]	IKSPZYAETVSSHT-UHFFFAOYSA-N
DG63715	Theprubicin-HCl	6711233	"Theprubicin-HCl; THP-ADM; NSC333054; NSC-333054; NCI60_002918; 5, 10-[(3-amino-4-O-(tetrahydro-2H-pyran-2-yl)-2,3,6 -trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10- tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(hydroxyacetyl)-, (8S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	333054	.	.	.	.	627.6	C32H37NO12	204	1120	2.7	45	5	13	7	"InChI=1S/C32H37NO12/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3/t14 ,17 ,19 ,21 ,22 ,31 ,32-/m1/s1"	CC1C(C(CC(O1)OC2C[C@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)OC6CCCCO6	KMSKQZKKOZQFFG-MFVFBZRISA-N
DG63716	Formerly NSC 364575	6711241	Cephalostatin 3; Formerly NSC 364575; NSC363981; NSC-363981; NCI60_003345; B712496K599	.	.	Investigative Drug(s)	Investigative	Small molecular drug	363981	.	.	.	.	941.2	C55H76N2O11	201	2260	2.9	68	6	13	1	"InChI=1S/C55H76N2O11/c1-26-32-14-15-33-34-13-11-30-17-38-40(21-49(30,8)52(34,63)23-42(60)51(32,33)25-65-54(26)45(62)27(2)46(4,5)67-54)57-37-16-29-10-12-31-35(48(29,7)20-39(37)56-38)18-41(59)50(9)36(31)19-44-53(50,64)28(3)55(66-44)43(61)22-47(6,24-58)68-55/h15,19,26-32,34-35,41,43-45,58-59,61-64H,10-14,16-18,20-25H2,1-9H3/t26 ,27 ,28 ,29 ,30 ,31-,32-,34+,35 ,41-,43-,44+,45 ,47+,48+,49+,50-,51-,52 ,53-,54-,55+/m0/s1"	CC1[C@@H]2CC=C3[C@@]2(CO[C@@]14C(C(C(O4)(C)C)C)O)C(=O)CC5([C@@H]3CCC6[C@]5(CC7=NC8=C(C[C@@]9(C(C8)CC[C@H]1C9C[C@@H]([C@@]2(C1=C[C@@H]1[C@]2(C([C@]2(O1)[C@H](C[C@](O2)(C)CO)O)C)O)C)O)C)N=C7C6)C)O	RRIQAWNFJSPGFF-CZDQFVSGSA-N
DG63717	CID 6711243	6711243	Cephalostatin 4; NSC378727; NSC-378727; NCI60_003559; B712496K640	.	.	Investigative Drug(s)	Investigative	Small molecular drug	378727	.	.	.	.	943.2	C54H74N2O12	214	2260	2	68	6	14	1	"InChI=1S/C54H74N2O12/c1-25-30-16-43-52(65-43)37-12-10-28-14-34-36(19-47(28,7)50(37,62)22-39(59)49(30,52)24-64-53(25)40(60)20-44(3,4)67-53)56-33-13-27-9-11-29-31(46(27,6)18-35(33)55-34)15-38(58)48(8)32(29)17-42-51(48,63)26(2)54(66-42)41(61)21-45(5,23-57)68-54/h17,25-31,37-38,40-43,57-58,60-63H,9-16,18-24H2,1-8H3/t25 ,26 ,27 ,28 ,29-,30-,31 ,37-,38-,40 ,41-,42+,43-,45+,46+,47+,48-,49+,50 ,51-,52-,53-,54+/m0/s1"	CC1[C@@H]2C[C@H]3[C@@]4([C@@]2(CO[C@@]15C(CC(O5)(C)C)O)C(=O)CC6([C@@H]4CCC7[C@]6(CC8=NC9=C(C[C@@]1(C(C9)CC[C@H]2C1C[C@@H]([C@@]1(C2=C[C@@H]2[C@]1(C([C@]1(O2)[C@H](C[C@](O1)(C)CO)O)C)O)C)O)C)N=C8C7)C)O)O3	SEQUCTGXHCVPLA-DLCGXSAUSA-N
DG63718	Cephalostatin 5	6711244	Cephalostatin 5; NSC378731; NSC-378731; NCI60_003560; B712496K644	.	.	Investigative Drug(s)	Investigative	Small molecular drug	378731	.	.	.	.	909.2	C54H72N2O10	184	2060	4.7	66	6	12	1	"InChI=1S/C54H72N2O10/c1-24-31-16-39(58)44-30-13-11-28-15-36-37(20-49(28,7)32(30)17-40(45(31)44)63-53(24)46(61)25(2)47(4,5)65-53)55-35-14-27-10-12-29-33(50(27,8)21-38(35)56-36)18-41(59)51(9)34(29)19-43-52(51,62)26(3)54(64-43)42(60)22-48(6,23-57)66-54/h17,19,24-29,31,33,39,41-43,46,57-62H,10-16,18,20-23H2,1-9H3/t24-,25 ,26 ,27 ,28 ,29 ,31+,33 ,39 ,41+,42+,43-,46 ,48-,49-,50-,51+,52+,53 ,54-/m1/s1"	C[C@@H]1[C@@H]2CC(C3=C4CCC5CC6=C(C[C@]5(C4=CC(=C23)OC17C(C(C(O7)(C)C)C)O)C)N=C8CC9CCC1C([C@@]9(CC8=N6)C)C[C@@H]([C@@]2(C1=C[C@@H]1[C@]2(C([C@]2(O1)[C@H](C[C@](O2)(C)CO)O)C)O)C)O)O	RFXLQYCDXUKYKK-GJNJDTNOSA-N
DG63719	Cephalostatin 6	6711245	Cephalostatin 6; NSC378732; NSC-378732; NCI60_003561; B712496K645	.	.	Investigative Drug(s)	Investigative	Small molecular drug	378732	.	.	.	.	895.1	C53H70N2O10	184	2020	4.2	65	6	12	1	"InChI=1S/C53H70N2O10/c1-24-30-15-38(57)44-29-12-10-27-14-35-36(19-48(27,6)31(29)16-39(45(30)44)62-52(24)41(59)21-46(3,4)64-52)54-34-13-26-9-11-28-32(49(26,7)20-37(34)55-35)17-40(58)50(8)33(28)18-43-51(50,61)25(2)53(63-43)42(60)22-47(5,23-56)65-53/h16,18,24-28,30,32,38,40-43,56-61H,9-15,17,19-23H2,1-8H3/t24-,25 ,26 ,27 ,28 ,30+,32 ,38 ,40+,41 ,42+,43-,47-,48-,49-,50+,51+,52 ,53-/m1/s1"	C[C@@H]1[C@@H]2CC(C3=C4CCC5CC6=C(C[C@]5(C4=CC(=C23)OC17C(CC(O7)(C)C)O)C)N=C8CC9CCC1C([C@@]9(CC8=N6)C)C[C@@H]([C@@]2(C1=C[C@@H]1[C@]2(C([C@]2(O1)[C@H](C[C@](O2)(C)CO)O)C)O)C)O)O	GPCYNOXHQAAREG-NADGPVQSSA-N
DG63720	CID 6711246	6711246	NSC378734; NSC-378734; NCI60_003562; B712496K647	.	.	Investigative Drug(s)	Investigative	Small molecular drug	378734	.	.	.	.	913.2	C54H76N2O10	184	2120	4.4	66	6	12	2	"InChI=1S/C54H76N2O10/c1-26-45-40(63-52(26)14-13-46(3,4)65-52)17-35-31-12-10-29-16-37-39(22-49(29,7)33(31)19-42(60)51(35,45)25-58)56-36-15-28-9-11-30-32(48(28,6)21-38(36)55-37)18-41(59)50(8)34(30)20-44-53(50,62)27(2)54(64-44)43(61)23-47(5,24-57)66-54/h17,20,26-33,40-45,57-62H,9-16,18-19,21-25H2,1-8H3/t26 ,27 ,28 ,29 ,30 ,31 ,32 ,33 ,40-,41+,42+,43+,44-,45-,47-,48-,49-,50+,51+,52+,53+,54-/m1/s1"	CC1[C@@H]2[C@@H](C=C3[C@]2([C@H](CC4C3CCC5[C@]4(CC6=NC7=C(C[C@@]8(C(C7)CCC9C8C[C@@H]([C@@]2(C9=C[C@@H]3[C@]2(C([C@]2(O3)[C@H](C[C@](O2)(C)CO)O)C)O)C)O)C)N=C6C5)C)O)CO)O[C@]11CCC(O1)(C)C	AWYLYACMGLGJJG-XSSYFPCESA-N
DG63721	NSC378735	6711247	"(3'S,5R,5'R,8S,9S,10R,12R,14R,26R,30S,33R,35S)-33-(1,3-dihydroxy-3-methylbutyl)-3',8,10,33-tetrahydroxy-5'-(hydroxymethyl)-5,5',9,11,26,34-hexamethylspiro[13,32-dioxa-2,23-diazaundecacyclo[22.19.0.03,22.05,20.06,17.09,16.010,14.026,42.027,39.030,35.030,38]tritetraconta-1,3(22),15,23,37-pentaene-12,2'-oxolane]-29-one; Cephalostatin 9; NSC378735; NSC-378735; NCI60_003563; B712496K648"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	378735	.	.	.	.	929.2	C54H76N2O11	212	2150	2.7	67	7	13	4	"InChI=1S/C54H76N2O11/c1-26-32-13-14-33-30-11-9-28-15-37-40(21-49(28,7)35(30)18-42(59)51(32,33)25-65-53(26,64)43(60)22-46(3,4)62)56-38-16-29-10-12-31-34(48(29,6)20-39(38)55-37)17-41(58)50(8)36(31)19-45-52(50,63)27(2)54(66-45)44(61)23-47(5,24-57)67-54/h14,19,26-32,34-35,41,43-45,57-58,60-64H,9-13,15-18,20-25H2,1-8H3/t26 ,27 ,28 ,29 ,30 ,31 ,32-,34 ,35 ,41-,43 ,44-,45+,47+,48+,49+,50-,51-,52-,53+,54+/m0/s1"	CC1[C@@H]2CC=C3[C@@]2(CO[C@]1(C(CC(C)(C)O)O)O)C(=O)CC4C3CCC5[C@]4(CC6=NC7=C(C[C@@]8(C(C7)CCC9C8C[C@@H]([C@@]1(C9=C[C@@H]2[C@]1(C([C@]1(O2)[C@H](C[C@](O1)(C)CO)O)C)O)C)O)C)N=C6C5)C	XLBCKHQLKVRGAX-VZTJZOSUSA-N
DG63722	CID 6711248	6711248	NSC-378736; NCI60_003564; B712496K649	.	.	Investigative Drug(s)	Investigative	Small molecular drug	378736	.	.	.	.	913.2	C54H76N2O10	184	2150	4	66	6	12	1	"InChI=1S/C54H76N2O10/c1-26-51(15-14-45(3,4)65-51)63-43-20-34-30-12-10-28-16-36-38(22-47(28,6)32(30)18-40(58)49(34,8)52(26,43)61)55-37-17-29-11-13-31-33(48(29,7)23-39(37)56-36)19-41(59)50(9)35(31)21-44-53(50,62)27(2)54(64-44)42(60)24-46(5,25-57)66-54/h20-21,26-33,40-44,57-62H,10-19,22-25H2,1-9H3/t26 ,27 ,28 ,29 ,30 ,31 ,32 ,33 ,40-,41-,42-,43+,44+,46+,47+,48+,49-,50-,51-,52-,53-,54+/m0/s1"	CC1[C@@]2(CCC(O2)(C)C)O[C@H]3[C@@]1([C@@]4([C@H](CC5C(C4=C3)CCC6[C@]5(CC7=C(C6)N=C8C[C@@]9(C(CCC1C9C[C@@H]([C@@]2(C1=C[C@@H]1[C@]2(C([C@]2(O1)[C@H](C[C@](O2)(C)CO)O)C)O)C)O)CC8=N7)C)C)O)C)O	AGIMKWVJNZNTTM-WQBKIXSZSA-N
DG63723	NSC600220	6711254	"4-[(2R)-1-benzamido-3-[[(1S,9S,10S,12R)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-4-oxobutanoic acid; NSC600220; NSC-600220; NCI60_004474; NCI60_004475; Benzenepropanoic acid,4-dioxobutoxy)-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)- 2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro- 4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo- 7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600220	.	.	.	.	954	C51H55NO17	265	2050	2.5	69	4	17	19	"InChI=1S/C51H55NO17/c1-27-33(66-47(62)41(67-37(58)23-22-36(56)57)39(30-16-10-7-11-17-30)52-45(60)31-18-12-8-13-19-31)25-51(63)44(68-46(61)32-20-14-9-15-21-32)42-49(6,34(55)24-35-50(42,26-64-35)69-29(3)54)43(59)40(65-28(2)53)38(27)48(51,4)5/h7-21,33-35,39-42,44,55,63H,22-26H2,1-6H3,(H,52,60)(H,56,57)/t33 ,34-,35 ,39 ,40+,41+,42 ,44 ,49+,50 ,51+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](CC4C(C3C([C@@](C2(C)C)(CC1OC(=O)[C@@H](C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RBNOJYDPFALIQZ-VXXAQSFKSA-N
DG63724	NSC600222	6711255	"4-[[(1S,9S,10S,12R)-4,12-diacetyloxy-15-[(2R)-3-benzamido-2-(3-carboxypropanoyloxy)-3-phenylpropanoyl]oxy-2-benzoyloxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl]oxy]-4-oxobutanoic acid; NSC600222; NSC-600222; NCI60_004476; NCI60_004477; Benzenepropanoic acid,4-dioxobutoxy)-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)- 2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro- 11-hydroxy-4-(4-hydroxy-1,4-dioxobutoxy)- 4a,8,13,13-tetramethyl-5-oxo-7,11-methano- 1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600222	.	.	.	.	1054	C55H59NO20	308	2310	2.5	76	4	20	24	"InChI=1S/C55H59NO20/c1-29-35(72-51(68)45(74-41(64)25-23-39(61)62)43(32-16-10-7-11-17-32)56-49(66)33-18-12-8-13-19-33)27-55(69)48(75-50(67)34-20-14-9-15-21-34)46-53(6,47(65)44(71-30(2)57)42(29)52(55,4)5)36(73-40(63)24-22-38(59)60)26-37-54(46,28-70-37)76-31(3)58/h7-21,35-37,43-46,48,69H,22-28H2,1-6H3,(H,56,66)(H,59,60)(H,61,62)/t35 ,36-,37 ,43 ,44+,45+,46 ,48 ,53+,54 ,55+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](CC4C(C3C([C@@](C2(C)C)(CC1OC(=O)[C@@H](C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)CCC(=O)O)C)OC(=O)C	NZQWSYQBMNULIX-CDQLBASDSA-N
DG63725	Homohalichondrin B	6711269	Homohalichondrin B; From marine animal Axinella sp.; NSC609394; NSC-609394; NCI60_004763; B7722121F049(=K053)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	609394	.	.	.	.	1123.3	C61H86O19	205	2410	3.9	80	2	19	2	"InChI=1S/C61H86O19/c1-26-13-32-7-9-36-27(2)14-34(65-36)11-12-59-23-47-55(79-59)56-57(73-47)58(80-59)54-37(70-56)10-8-33(67-54)15-49(64)74-53-31(6)52-44(69-43(53)16-38(66-32)30(26)5)19-42-46(72-52)22-61(75-42)24-48-51(78-61)29(4)21-60(77-48)20-28(3)50-45(76-60)18-40-41(71-50)17-39(68-40)35(63)25-62/h26,28-29,31-48,50-58,62-63H,2,5,7-25H2,1,3-4,6H3/t26-,28 ,29 ,31 ,32 ,33-,34 ,35 ,36+,37+,38-,39 ,40 ,41 ,42 ,43+,44 ,45+,46 ,47 ,48+,50+,51+,52 ,53 ,54 ,55+,56 ,57-,58+,59+,60-,61+/m1/s1"	C[C@@H]1CC2CC[C@H]3C(=C)CC(O3)CC[C@]45CC6[C@H](O4)C7[C@@H](O6)[C@@H](O5)C8[C@@H](O7)CC[C@@H](O8)CC(=O)OC9[C@H](C[C@H](C1=C)O2)OC1CC2C(C[C@@]3(O2)C[C@H]2[C@@H](O3)C(C[C@]3(O2)CC([C@H]2[C@@H](O3)CC3C(O2)CC(O3)C(CO)O)C)C)OC1C9C	LMZKVILFCFSDGK-QTBWQIHVSA-N
DG63726	"From marine animal, Axinella sp."	6711270	"Halichondrin B; NSC609395; From marine animal, Axinella sp.; NSC-609395; NCI60_004764; B722121F050(=K054)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	609395	.	.	.	.	1111.3	C60H86O19	216	2340	3.6	79	3	19	4	"InChI=1S/C60H86O19/c1-26-13-33-7-9-37-27(2)14-35(65-37)11-12-58-23-46-54(78-58)55-56(72-46)57(79-58)53-38(69-55)10-8-34(67-53)16-48(64)73-52-31(6)51-43(68-42(52)17-39(66-33)30(26)5)19-41-45(71-51)22-60(74-41)24-47-50(77-60)29(4)21-59(76-47)20-28(3)49-44(75-59)18-40(70-49)36(63)15-32(62)25-61/h26,28-29,31-47,49-57,61-63H,2,5,7-25H2,1,3-4,6H3/t26-,28 ,29 ,31 ,32 ,33 ,34-,35 ,36 ,37+,38+,39-,40+,41 ,42+,43 ,44+,45 ,46 ,47+,49+,50+,51 ,52 ,53 ,54+,55 ,56-,57+,58+,59-,60+/m1/s1"	C[C@@H]1CC2CC[C@H]3C(=C)CC(O3)CC[C@]45CC6[C@H](O4)C7[C@@H](O6)[C@@H](O5)C8[C@@H](O7)CC[C@@H](O8)CC(=O)OC9[C@H](C[C@H](C1=C)O2)OC1CC2C(C[C@@]3(O2)C[C@H]2[C@@H](O3)C(C[C@]3(O2)CC([C@H]2[C@@H](O3)C[C@H](O2)C(CC(CO)O)O)C)C)OC1C9C	FXNFULJVOQMBCW-YAWMHOIFSA-N
DG63727	"4-[(13R)-2,13-dihydroxy-13-[(2R)-5-[(5R)-5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one"	6711271	Asimicin; NSC609700; CHEMBL1996175; NSC-609700; NCI60_004772; B627498K049	.	.	Investigative Drug(s)	Investigative	Small molecular drug	609700	.	.	.	.	622.9	C37H66O7	105	801	9.7	44	3	7	25	"InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28 ,30 ,31 ,32-,33-,34-,35 ,36 /m1/s1"	CCCCCCCCCCC([C@H]1CCC(O1)C2CC[C@@H](O2)[C@@H](CCCCCCCCCCC(CC3=CC(OC3=O)C)O)O)O	MBABCNBNDNGODA-XRLPKKPGSA-N
DG63728	"(1R,9R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-3-ol"	6711279	NSC611266; CHEMBL1984658; NSC-611266; NCI60_004832	.	.	Investigative Drug(s)	Investigative	Small molecular drug	611266	.	.	.	.	285.4	C18H23NO2	32.7	449	3.1	21	1	3	1	"InChI=1S/C18H23NO2/c1-19-10-9-18-8-4-3-5-13(18)14(19)11-12-6-7-15(21-2)17(20)16(12)18/h5-7,14,20H,3-4,8-11H2,1-2H3/t14-,18-/m1/s1"	CN1CC[C@]23CCCC=C2[C@H]1CC4=C3C(=C(C=C4)OC)O	REASKFPIAQOWDC-RDTXWAMCSA-N
DG63729	Tert-butyl(oxido)oxidanium;5-chloro-2-[(5-chloro-2-oxidophenyl)methylideneamino]phenolate;oxovanadium	6711291	NCI60_004959; NSC614925; NSC-614925	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614925	.	.	.	.	437.2	C17H17Cl2NO5V-2	99.6	411	.	26	1	5	1	"InChI=1S/C13H9Cl2NO2.C4H10O2.O.V/c14-9-2-4-12(17)8(5-9)7-16-11-3-1-10(15)6-13(11)18;1-4(2,3)6-5;;/h1-7,17-18H;6H,1-3H3;;/p-2"	CC(C)(C)[OH+][O-].C1=CC(=C(C=C1Cl)[O-])N=CC2=C(C=CC(=C2)Cl)[O-].O=[V]	AQHXNEQSLLRTFU-UHFFFAOYSA-L
DG63730	Asn-Gln-Trp-Ala-Val-Gly-(D)Phe-Leu-Met-NH2	6711308	NSC617347; CHEMBL1990515; NSC-617347; NCI60_005222; Asn-Gln-Trp-Ala-Val-Gly-(D)Phe-Leu-Met-NH2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617347	.	.	.	.	1064.3	C50H73N13O11S	429	1990	-0.2	75	13	13	32	"InChI=1S/C50H73N13O11S/c1-26(2)20-36(48(72)59-34(43(54)67)18-19-75-6)61-49(73)37(21-29-12-8-7-9-13-29)58-41(66)25-56-50(74)42(27(3)4)63-44(68)28(5)57-47(71)38(22-30-24-55-33-15-11-10-14-31(30)33)62-46(70)35(16-17-39(52)64)60-45(69)32(51)23-40(53)65/h7-15,24,26-28,32,34-38,42,55H,16-23,25,51H2,1-6H3,(H2,52,64)(H2,53,65)(H2,54,67)(H,56,74)(H,57,71)(H,58,66)(H,59,72)(H,60,69)(H,61,73)(H,62,70)(H,63,68)/t28-,32+,34-,35-,36-,37+,38-,42-/m0/s1"	C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](CC(=O)N)N	ACHZHXZVVIHDLU-HWVXLSRNSA-N
DG63731	"Acetonitrile, cis-"	6711318	"NSC617644; 96617-23-1; Acetonitrile, cis-; CHEMBL1999764; DTXSID20914418; NSC-617644; NCI60_005324; {Benzyl[2-hydroxy-2-(1-phenylethenyl)cyclobutyl]amino}acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617644	.	.	.	.	318.4	C21H22N2O	47.3	481	3.8	24	1	3	6	"InChI=1S/C21H22N2O/c1-17(19-10-6-3-7-11-19)21(24)13-12-20(21)23(15-14-22)16-18-8-4-2-5-9-18/h2-11,20,24H,1,12-13,15-16H2/t20-,21-/m0/s1"	C=C(C1=CC=CC=C1)[C@]2(CC[C@@H]2N(CC#N)CC3=CC=CC=C3)O	LLFYZUZEQWBNPP-SFTDATJTSA-N
DG63732	NSC618871	6711325	"(3R,7S,8S)-3-hydroxy-8-(3,4,5-trimethoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one; CHEMBL2374145; NSC618871; NSC-618871; NCI60_005658"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618871	.	.	.	.	416.4	C21H20O9	102	644	2	30	1	9	4	"InChI=1S/C21H20O9/c1-24-15-4-10(5-16(25-2)19(15)26-3)17-11-6-13-14(29-9-28-13)7-12(11)30-21(23)8-27-20(22)18(17)21/h4-7,17-18,23H,8-9H2,1-3H3/t17-,18+,21-/m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@@H]3C(=O)OC[C@@]3(OC4=CC5=C(C=C24)OCO5)O	OUONRLWTLLDLLY-UEXGIBASSA-N
DG63733	14-Fluoro-4-demethoxydaunorubicin	6711360	NSC623128; 14-Fluoro-4-demethoxydaunorubicin; NSC-623128; NCI60_006893	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623128	.	.	.	.	515.5	C26H26FNO9	177	934	1.8	37	5	11	4	"InChI=1S/C26H26FNO9/c1-10-21(30)14(28)6-17(36-10)37-15-8-26(35,16(29)9-27)7-13-18(15)25(34)20-19(24(13)33)22(31)11-4-2-3-5-12(11)23(20)32/h2-5,10,14-15,17,21,30,33-35H,6-9,28H2,1H3/t10 ,14 ,15 ,17 ,21 ,26-/m0/s1"	CC1C(C(CC(O1)OC2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CF)O)N)O	GGFDHOKVCVFSRP-WMPUSZARSA-N
DG63734	"Olean-12-en-23-oic acid, acetate, (3alpha,4beta)-"	6711382	".alpha.-Boswellic acid acetate; NSC624806; NSC-624806; NCI60_007543; Olean-12-en-23-oic acid, acetate, (3.alpha.,4.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624806	.	.	.	.	498.7	C32H50O4	63.6	996	8.4	36	1	4	3	"InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(5)23-10-9-21-22-19-27(2,3)15-16-28(22,4)17-18-30(21,6)31(23,7)14-11-24(29)32(25,8)26(34)35/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23 ,24 ,25 ,28 ,29+,30 ,31+,32+/m0/s1"	CC(=O)OC1CC[C@]2(C([C@@]1(C)C(=O)O)CC[C@@]3(C2CC=C4C3(CCC5([C@H]4CC(CC5)(C)C)C)C)C)C	IAWGZKRQDHPFCZ-RSFPQAFHSA-N
DG63735	17-Methoxy mycalamide A	6711419	Mycalamide B; 17-Methoxy mycalamide A; NSC626168; NSC-626168; NCI60_008286	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626168	.	.	.	.	517.6	C25H43NO10	134	778	0.4	36	3	10	9	"InChI=1S/C25H43NO10/c1-13-10-25(32-8,36-15(3)14(13)2)20(28)22(29)26-23-19-18(33-12-34-23)21(31-7)24(4,5)17(35-19)9-16(11-27)30-6/h14-21,23,27-28H,1,9-12H2,2-8H3,(H,26,29)/t14-,15-,16+,17-,18+,19 ,20 ,21 ,23+,25 /m1/s1"	C[C@H]1[C@H](OC(CC1=C)(C(C(=O)N[C@@H]2C3[C@@H](C(C([C@H](O3)C[C@@H](CO)OC)(C)C)OC)OCO2)O)OC)C	AAABMNXUOFPYQK-WQRPFLISSA-N
DG63736	"7,18-Trimethoxy mycalamide A"	6711422	"NSC626171; 7,18-TRIMETHOXY MYCALAMIDE A; NSC-626171; NCI60_008289"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626171	.	.	.	.	545.7	C27H47NO10	112	809	1.5	38	1	10	11	"InChI=1S/C27H47NO10/c1-15-12-27(34-10,38-17(3)16(15)2)23(33-9)24(29)28-25-21-20(35-14-36-25)22(32-8)26(4,5)19(37-21)11-18(31-7)13-30-6/h16-23,25H,1,11-14H2,2-10H3,(H,28,29)/t16-,17-,18+,19-,20+,21 ,22 ,23 ,25+,27 /m1/s1"	C[C@H]1[C@H](OC(CC1=C)(C(C(=O)N[C@@H]2C3[C@@H](C(C([C@H](O3)C[C@@H](COC)OC)(C)C)OC)OCO2)OC)OC)C	WHWTVBBYUVXRPA-GKILZHAESA-N
DG63737	"7,18-Trimethoxy, N-methyl mycalamide A"	6711423	"NSC626172; NSC-626172; NCI60_008290; 7,18-TRIMETHOXY, N-METHYL MYCALAMIDE A"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626172	.	.	.	.	559.7	C28H49NO10	103	839	1.7	39	0	10	11	"InChI=1S/C28H49NO10/c1-16-13-28(35-11,39-18(3)17(16)2)24(34-10)25(30)29(6)26-22-21(36-15-37-26)23(33-9)27(4,5)20(38-22)12-19(32-8)14-31-7/h17-24,26H,1,12-15H2,2-11H3/t17-,18-,19+,20-,21+,22 ,23 ,24 ,26+,28 /m1/s1"	C[C@H]1[C@H](OC(CC1=C)(C(C(=O)N(C)[C@@H]2C3[C@@H](C(C([C@H](O3)C[C@@H](COC)OC)(C)C)OC)OCO2)OC)OC)C	WPGKOWYPVGVUHI-MSWOGIACSA-N
DG63738	"1,3-Benzodioxol-5-yl(5,6,7-trimethoxy-1-isoquinolinyl)methyl benzoate"	6711456	"NSC627669; CHEMBL1972869; NSC-627669; NCI60_008843; 1,3-Benzodioxol-5-yl(5,6,7-trimethoxy-1-isoquinolinyl)methyl benzoate; [(S)-1,3-benzodioxol-5-yl-(5,6,7-trimethoxy-1-isoquinolyl)methyl] benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627669	.	.	.	.	473.5	C27H23NO7	85.3	701	4.9	35	0	8	8	"InChI=1S/C27H23NO7/c1-30-22-14-19-18(25(31-2)26(22)32-3)11-12-28-23(19)24(35-27(29)16-7-5-4-6-8-16)17-9-10-20-21(13-17)34-15-33-20/h4-14,24H,15H2,1-3H3/t24-/m0/s1"	COC1=C(C(=C2C=CN=C(C2=C1)[C@H](C3=CC4=C(C=C3)OCO4)OC(=O)C5=CC=CC=C5)OC)OC	OPPNSDQUATTZJH-DEOSSOPVSA-N
DG63739	"3-Hydroxy-7-nitro-1,4-benzotriazine 1-oxide"	6711495	"NCI60_009358; CHEMBL1974279; NSC628907; NSC-628907; 3-Hydroxy-7-nitro-1,4-benzotriazine 1-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628907	.	.	.	.	208.13	C7H4N4O4	116	480	-1.6	15	1	4	0	"InChI=1S/C7H4N4O4/c12-7-8-5-2-1-4(11(14)15)3-6(5)10(13)9-7/h1-3H,(H,8,9,12)"	C1=CC2=NC(=O)N[N+](=C2C=C1[N+](=O)[O-])[O-]	WZYFVLNMNMFAEC-UHFFFAOYSA-N
DG63740	"3-Chloro-7-nitro-1,4-benzotriazine 1-oxide"	6711496	"NCI60_009359; SCHEMBL6680261; CHEMBL2005583; NSC628908; NSC-628908; 3-Chloro-7-nitro-1,4-benzotriazine 1-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628908	.	.	.	.	226.58	C7H3ClN4O3	97.1	261	1	15	0	5	0	InChI=1S/C7H3ClN4O3/c8-7-9-5-2-1-4(12(14)15)3-6(5)11(13)10-7/h1-3H	C1=CC2=C(C=C1[N+](=O)[O-])[N+](=NC(=N2)Cl)[O-]	ZJLUWASPMQAXOJ-UHFFFAOYSA-N
DG63741	"7-Nitro-3-trifluoroacetamido-1,2,4-benzotriazine 1-oxide"	6711497	"7-Nitro-3-trifluoroacetamido-1,2,4-benzotriazine 1-oxide; NCI60_009360; SCHEMBL6371433; CHEMBL1975617; NSC628909; NSC-628909; 7-Nitro-3-trifluoroacetamido-1,2,4benzotriazine 1-oxide; 7-Nitro-3-trifluoroacetamido-1,4-benzotriazine 1-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628909	.	.	.	.	303.15	C9H4F3N5O4	126	429	0.7	21	1	9	1	"InChI=1S/C9H4F3N5O4/c10-9(11,12)7(18)14-8-13-5-2-1-4(17(20)21)3-6(5)16(19)15-8/h1-3H,(H,13,14,15,18)"	C1=CC2=C(C=C1[N+](=O)[O-])[N+](=NC(=N2)NC(=O)C(F)(F)F)[O-]	STOFILPYCPTKFT-UHFFFAOYSA-N
DG63742	"(1S,4R,8S,21R)-3',4,6,12,17,17-hexamethylspiro[9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane-8,5'-furan]-2',18-dione"	6711550	NSC630837; NSC-630837; NCI60_010047	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630837	.	.	.	.	466.7	C30H42O4	52.6	1040	6.6	34	0	4	0	"InChI=1S/C30H42O4/c1-17-13-30(14-18(2)24(32)34-30)33-19-15-27(6)21-8-7-20-25(3,4)22(31)9-10-28(20)16-29(21,28)12-11-26(27,5)23(17)19/h14,17,19-21,23H,7-13,15-16H2,1-6H3/t17 ,19 ,20 ,21 ,23 ,26-,27 ,28-,29+,30+/m1/s1"	CC1C[C@]2(C=C(C(=O)O2)C)OC3C1[C@]4(CC[C@@]56C[C@@]57CCC(=O)C(C7CCC6C4(C3)C)(C)C)C	ULWBDUNMGKITLY-IOHABJLPSA-N
DG63743	"Bis(2-benzoyl-1,3-indanedionato)nickel(II)dihydrate"	6711619	"NCI60_010779; NSC632814; NSC-632814; Bis(2-benzoyl-1,3-indanedionato)nickel(II)dihydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632814	.	.	.	.	557.2	C32H18NiO6	114	947	.	39	0	6	2	"InChI=1S/2C16H10O3.Ni/c2*17-14(10-6-2-1-3-7-10)13-15(18)11-8-4-5-9-12(11)16(13)19;/h2*1-9,17H;/q;;+2/p-2"	C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].[Ni+2]	QGPYKHMFKVHZQG-UHFFFAOYSA-L
DG63744	"Bis(2-benzoyl-1,3-indanedionato)manganese(II)dihydrate"	6711620	"NCI60_010781; NSC632816; NSC-632816; Bis(2-benzoyl-1,3-indanedionato)manganese(II)dihydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632816	.	.	.	.	553.4	C32H18MnO6	114	947	.	39	0	6	2	"InChI=1S/2C16H10O3.Mn/c2*17-14(10-6-2-1-3-7-10)13-15(18)11-8-4-5-9-12(11)16(13)19;/h2*1-9,17H;/q;;+2/p-2"	C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].[Mn+2]	GXJOHWYUYVOKMU-UHFFFAOYSA-L
DG63745	"Dicarbonyl[1-(4-N,N-dimethylamine-phenylazo)naphthaline-2-olato]iridium(I)"	6711626	"NCI60_010834; NSC632876; NSC-632876; Dicarbonyl[1-(4-N,N-dimethylamine-phenylazo)naphthaline- 2-olato]iridium(I)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632876	.	.	.	.	538.6	C20H16IrN3O3-	53	475	.	27	0	6	2	"InChI=1S/C18H17N3O.2CO.Ir/c1-21(2)15-10-8-14(9-11-15)19-20-18-16-6-4-3-5-13(16)7-12-17(18)22;2*1-2;/h3-12,22H,1-2H3;;;/p-1"	CN(C)C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)[O-].[C-]#[O+].[C-]#[O+].[Ir]	DAGZUZWQBLAXGA-UHFFFAOYSA-M
DG63746	"Dicarbonyl[1-(phenylazo)naphthaline-2-olato(O1,N1)]-iridium(I)"	6711627	"NCI60_010835; NSC632877; NSC-632877; Dicarbonyl[1-(phenylazo)naphthaline-2-olato(O1,N1)]- iridium(I)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632877	.	.	.	.	495.5	C18H11IrN2O3-	49.8	407	.	24	0	5	1	"InChI=1S/C16H12N2O.2CO.Ir/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13;2*1-2;/h1-11,19H;;;/p-1"	[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)[O-].[Ir]	SSNRRGDULXKBGF-UHFFFAOYSA-M
DG63747	"Dicarbonyl(1,3-propanedionato)iridium(I)"	6711630	"NCI60_010838; NSC632880; NSC-632880; Dicarbonyl(1,3-propanedionato)iridium(I)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632880	.	.	.	.	471.48	C17H11IrO4-	36.1	334	.	22	0	5	2	InChI=1S/C15H11O2.2CO.Ir/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-2;/h1-11H;;;/q-1;;;	[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Ir]	SOCAYSLRTNUPQH-UHFFFAOYSA-N
DG63748	"Dicarbonyl[1-(4-cyanaphenyl-NC-azomethyine)-naphthaline-2-olato(O1,N1)]iridium(I)"	6711631	"NCI60_010840; NSC632882; NSC-632882; Dicarbonyl[1-(4-cyanaphenyl-NC-azomethyine)- naphthaline-2-olato(O1,N1)]iridium(I)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632882	.	.	.	.	519.5	C20H11IrN2O3-	61.2	516	.	26	0	5	1	"InChI=1S/C18H12N2O.2CO.Ir/c19-11-13-5-8-15(9-6-13)20-12-17-16-4-2-1-3-14(16)7-10-18(17)21;2*1-2;/h1-10,12,21H;;;/p-1"	[C-]#[O+].[C-]#[O+].C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=C(C=C3)C#N)[O-].[Ir]	VEEOTBGXSVNKDQ-UHFFFAOYSA-M
DG63749	Trunculin-B methyl ester	6711772	NSC641036; Trunculin-B methyl ester; NSC-641036; NCI60_013739	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641036	.	.	.	.	420.6	C25H40O5	54	714	4.9	30	0	5	4	"InChI=1S/C25H40O5/c1-15-8-9-18-17(12-15)14-25(6)20(23(18,3)4)13-21(28-25)24(5)11-10-19(29-30-24)16(2)22(26)27-7/h12,16-21H,8-11,13-14H2,1-7H3/t16-,17+,18+,19-,20 ,21-,24+,25-/m1/s1"	CC1=C[C@H]2C[C@@]3(C(C[C@@H](O3)[C@@]4(CC[C@@H](OO4)[C@@H](C)C(=O)OC)C)C([C@H]2CC1)(C)C)C	PNOATZDSQDNWLZ-KHCMCSOFSA-N
DG63750	14-Chloro-20(S)-camptothecin hydrate	6711820	"NSC643833; SCHEMBL2125069; CHEMBL1967561; 14-Chloro-20(S)-camptothecin hydrate; NSC-643833; NCI60_014867; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 5-chloro-4-ethyl-4-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643833	.	.	.	.	382.8	C20H15ClN2O4	79.7	791	1.3	27	1	5	1	"InChI=1S/C20H15ClN2O4/c1-2-20(26)14-12(9-27-19(20)25)18(24)23-8-11-7-10-5-3-4-6-13(10)22-16(11)17(23)15(14)21/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2Cl)O	YSECKCJSQWAIGC-FQEVSTJZSA-N
DG63751	(+)-Galiellalactone	6711856	Galiellalactone; (+)-Galiellalactone; CHEMBL1993987; NSC645020; NSC-645020; NCI60_015293	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645020	.	.	.	.	194.23	C11H14O3	46.5	333	0.9	14	1	3	0	"InChI=1S/C11H14O3/c1-6-4-7-2-3-9-11(7,13)8(5-6)10(12)14-9/h5-7,9,13H,2-4H2,1H3/t6-,7+,9+,11-/m1/s1"	C[C@@H]1C[C@@H]2CC[C@H]3[C@@]2(C(=C1)C(=O)O3)O	SOIISBQQYAGDKM-VFYMIVFZSA-N
DG63752	Kalihinol Y	6711942	"Kalihinol Y; CHEMBL1974585; NSC647641; NSC-647641; NCI60_016582; 2-Naphthalenol,6,6-trimethyl-2H-pyran-2-yl)decahydro-1-isocyano-2-methyl-5-methylene-,"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647641	.	.	.	.	365.9	C21H32ClNO2	33.8	608	3.3	25	1	3	1	"InChI=1S/C21H32ClNO2/c1-13-7-8-15(21(5)12-10-16(22)19(2,3)25-21)17-14(13)9-11-20(4,24)18(17)23-6/h14-18,24H,1,7-12H2,2-5H3/t14-,15+,16+,17 ,18-,20-,21-/m1/s1"	C[C@@]1(CC[C@@H](C(O1)(C)C)Cl)[C@H]2CCC(=C)[C@@H]3C2[C@H]([C@](CC3)(C)O)[N+]#[C-]	WNCZWKCUIVEIGJ-ZWOJUXLASA-N
DG63753	Antineoplastic-D647752	6711944	NSC647752; ANTINEOPLASTIC-D647752; NSC-647752; NCI60_016608	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647752	.	.	.	.	888.3	C47H50ClNO14	221	1830	3.1	63	4	14	14	"InChI=1S/C47H50ClNO14/c1-24-31(61-43(57)36(53)35(27-13-9-7-10-14-27)49-41(55)28-17-19-30(48)20-18-28)22-47(58)40(62-42(56)29-15-11-8-12-16-29)38-45(6,32(52)21-33-46(38,23-59-33)63-26(3)51)39(54)37(60-25(2)50)34(24)44(47,4)5/h7-20,31-33,35-38,40,52-53,58H,21-23H2,1-6H3,(H,49,55)/t31-,32-,33+,35-,36 ,37+,38 ,40 ,45+,46-,47+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3C([C@@](C2(C)C)(C[C@@H]1OC(=O)C([C@H](C5=CC=CC=C5)NC(=O)C6=CC=C(C=C6)Cl)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	CFCVIJYLRRCBFF-WCYRVBQBSA-N
DG63754	Antineoplastic-D647753	6711945	NSC647753; ANTINEOPLASTIC-D647753; NSC-647753; NCI60_016609	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647753	.	.	.	.	888.3	C47H50ClNO14	221	1830	3.1	63	4	14	14	"InChI=1S/C47H50ClNO14/c1-24-31(61-43(57)36(53)35(27-17-19-30(48)20-18-27)49-41(55)28-13-9-7-10-14-28)22-47(58)40(62-42(56)29-15-11-8-12-16-29)38-45(6,32(52)21-33-46(38,23-59-33)63-26(3)51)39(54)37(60-25(2)50)34(24)44(47,4)5/h7-20,31-33,35-38,40,52-53,58H,21-23H2,1-6H3,(H,49,55)/t31-,32-,33+,35 ,36 ,37+,38 ,40 ,45+,46-,47+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3C([C@@](C2(C)C)(C[C@@H]1OC(=O)C(C(C5=CC=C(C=C5)Cl)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	HUSNEEVUDJQTBT-SUMUEXJXSA-N
DG63755	2'-Bromo-4'-epi-daunorubicin	6711997	2'-bromo-4'-epi-daunorubicin; CHEMBL2000243; NSC650931; 2'-BROMO-4'-EPI-DAUNDRUBICIN; NSC-650931; NCI60_017775	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650931	.	.	.	.	606.4	C27H28BrNO10	186	998	2.3	39	5	11	4	"InChI=1S/C27H28BrNO10/c1-9-21(31)20(29)19(28)26(38-9)39-14-8-27(36,10(2)30)7-12-16(14)25(35)18-17(23(12)33)22(32)11-5-4-6-13(37-3)15(11)24(18)34/h4-6,9,14,19-21,26,31,33,35-36H,7-8,29H2,1-3H3/t9 ,14-,19 ,20 ,21 ,26 ,27-/m0/s1"	CC1C(C(C(C(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)Br)N)O	RNTSDANIDLGPLQ-ZFXDRNAVSA-N
DG63756	Antineoplastic-651195	6712004	NSC651195; ANTINEOPLASTIC-651195; NSC-651195; NCI60_017878	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651195	.	.	.	.	867.9	C48H53NO14	221	1830	2.9	63	4	14	14	"InChI=1S/C48H53NO14/c1-25-18-20-30(21-19-25)42(55)49-36(29-14-10-8-11-15-29)37(53)44(57)61-32-23-48(58)41(62-43(56)31-16-12-9-13-17-31)39-46(7,33(52)22-34-47(39,24-59-34)63-28(4)51)40(54)38(60-27(3)50)35(26(32)2)45(48,5)6/h8-21,32-34,36-39,41,52-53,58H,22-24H2,1-7H3,(H,49,55)/t32 ,33-,34+,36 ,37 ,38+,39 ,41 ,46+,47-,48+/m0/s1"	CC1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)C(C(=O)OC3C[C@]4(C(C5[C@@]([C@H](C[C@@H]6[C@]5(CO6)OC(=O)C)O)(C(=O)[C@@H](C(=C3C)C4(C)C)OC(=O)C)C)OC(=O)C7=CC=CC=C7)O)O	AEJKKYFZJQTDMD-AHCJXFNUSA-N
DG63757	NSC651196	6712005	"[(1S,4S,7R,9S,10S,12R)-4,12-diacetyloxy-15-[3-benzamido-2-hydroxy-3-(4-methylphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC651196; NSC-651196; NCI60_017879"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651196	.	.	.	.	867.9	C48H53NO14	221	1830	2.9	63	4	14	14	"InChI=1S/C48H53NO14/c1-25-18-20-29(21-19-25)36(49-42(55)30-14-10-8-11-15-30)37(53)44(57)61-32-23-48(58)41(62-43(56)31-16-12-9-13-17-31)39-46(7,33(52)22-34-47(39,24-59-34)63-28(4)51)40(54)38(60-27(3)50)35(26(32)2)45(48,5)6/h8-21,32-34,36-39,41,52-53,58H,22-24H2,1-7H3,(H,49,55)/t32 ,33-,34+,36 ,37 ,38+,39 ,41 ,46+,47-,48+/m0/s1"	CC1=CC=C(C=C1)C(C(C(=O)OC2C[C@]3(C(C4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O)NC(=O)C7=CC=CC=C7	LMXOIOZYGWKKOY-AHCJXFNUSA-N
DG63758	"17-beta-Hydroxy-11-beta-(4-dimethylaminophenyl)-17-alpha-(1-propynyl)-estra-4,9-dien-3-one"	6712024	"CHEMBL1987697; SCHEMBL19236544; NSC652104; NSC-652104; NCI60_018219; 17-.beta.-Hydroxy-11-.beta.-(4-dimethylaminophenyl)-17-.alpha.-(1-propynyl)-estra-4,9-dien-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652104	.	.	.	.	429.6	C29H35NO2	40.5	921	3.8	32	1	3	3	"InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26 ,28-,29-/m0/s1"	CC#C[C@@]1(CCC2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O	VKHAHZOOUSRJNA-VIQYZFISSA-N
DG63759	3-Isopropyl-1-methoxy-1-triazene 2-oxide	6712035	NCI60_018574; SCHEMBL8775905; CHEMBL1983132; NSC-653049; 3-isopropyl-1-methoxy-1-triazene 2-oxide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653049	.	.	.	.	133.15	C4H11N3O2	62.4	102	1	9	1	4	3	"InChI=1S/C4H11N3O2/c1-4(2)5-7(8)6-9-3/h4H,1-3H3,(H,5,6)"	CC(C)N=[N+](NOC)[O-]	ABPPGZXBYYLLGF-UHFFFAOYSA-N
DG63760	NSC653244	6712036	"[(1S,4S,7R,9S,10S,12R)-4,12-diacetyloxy-1,9-dihydroxy-15-[2-hydroxy-3-phenyl-3-[[4-(trifluoromethyl)benzoyl]amino]propanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC653244; NSC-653244; NCI60_018596"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653244	.	.	.	.	921.9	C48H50F3NO14	221	1940	3.4	66	4	17	14	"InChI=1S/C48H50F3NO14/c1-24-31(64-43(60)36(56)35(27-13-9-7-10-14-27)52-41(58)28-17-19-30(20-18-28)48(49,50)51)22-47(61)40(65-42(59)29-15-11-8-12-16-29)38-45(6,32(55)21-33-46(38,23-62-33)66-26(3)54)39(57)37(63-25(2)53)34(24)44(47,4)5/h7-20,31-33,35-38,40,55-56,61H,21-23H2,1-6H3,(H,52,58)/t31 ,32-,33+,35 ,36 ,37+,38 ,40 ,45+,46-,47+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3C([C@@](C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=C(C=C6)C(F)(F)F)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	FJKXRFDTELYEGH-HXZKEHTGSA-N
DG63761	Boc-Val-DL-N(Me)Val-N(Me)Val-Pro-N(Me)Phe-OBn	6712043	NSC653624; CHEMBL2001175; NSC-653624; NCI60_018695	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653624	.	.	.	.	792	C44H65N5O8	146	1370	7.1	57	1	8	19	"InChI=1S/C44H65N5O8/c1-28(2)35(45-43(55)57-44(7,8)9)39(51)47(11)36(29(3)4)40(52)48(12)37(30(5)6)41(53)49-25-19-24-33(49)38(50)46(10)34(26-31-20-15-13-16-21-31)42(54)56-27-32-22-17-14-18-23-32/h13-18,20-23,28-30,33-37H,19,24-27H2,1-12H3,(H,45,55)/t33-,34-,35-,36 ,37-/m0/s1"	CC(C)[C@@H](C(=O)N(C)C(C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C	NBPDCCDFSFTGBG-AFFBGLGGSA-N
DG63762	"(4R)-4-[(1S)-3,3-diethoxy-1-hydroxy-propyl]-1,3-oxathiolane-2-thione"	6712076	"NSC655077; 138560-04-0; CHEMBL1974459; SCHEMBL21225429; DTXSID30425141; NSC-655077; NCI60_019053; (4R)-4-[(1S)-3,3-diethoxy-1-hydroxy-propyl]-1,3-oxathiolane-2-thione; [4R,(1'S)]-4-[(3,3-Bis(ethoxy)-1-hydroxy-propyl]-[1,3]oxathiolane-2-thione; D-erythro-Pentose, 2-deoxy-4-thio-, diethyl acetal, cyclic 4,5-carbonodithioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655077	.	.	.	.	266.4	C10H18O4S2	105	219	1.8	16	1	6	7	"InChI=1S/C10H18O4S2/c1-3-12-9(13-4-2)5-7(11)8-6-14-10(15)16-8/h7-9,11H,3-6H2,1-2H3/t7-,8+/m0/s1"	CCOC(C[C@@H]([C@H]1COC(=S)S1)O)OCC	JEWSOKJFFIJVSC-JGVFFNPUSA-N
DG63763	"(3S,4S)-3-acetyl-5-ethoxy-3,4-dimethyloxolan-2-one"	6712082	NSC655619; NSC-655619; NCI60_019306	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655619	.	.	.	.	200.23	C10H16O4	52.6	261	1.3	14	0	4	3	"InChI=1S/C10H16O4/c1-5-13-8-6(2)10(4,7(3)11)9(12)14-8/h6,8H,5H2,1-4H3/t6-,8 ,10+/m1/s1"	CCOC1[C@H]([C@@](C(=O)O1)(C)C(=O)C)C	ABNYWYXJKSMNKE-KODUZNSBSA-N
DG63764	"(3R,4S,5R)-3-acetyl-5-ethoxy-3,4-dimethyloxolan-2-one"	6712083	"148840-17-9; (3R,4S,5R)-3-acetyl-5-ethoxy-3,4-dimethyloxolan-2-one; 2(3H)-Furanone,3-acetyl-5-ethoxydihydro-3,4-dimethyl-,(3alpha,4bta,5bta)-(9CI); NSC655620; CHEMBL165894; NSC-655620; NCI60_019307"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655620	.	.	.	.	200.23	C10H16O4	52.6	261	1.3	14	0	4	3	"InChI=1S/C10H16O4/c1-5-13-8-6(2)10(4,7(3)11)9(12)14-8/h6,8H,5H2,1-4H3/t6-,8-,10-/m1/s1"	CCO[C@H]1[C@H]([C@](C(=O)O1)(C)C(=O)C)C	ABNYWYXJKSMNKE-GTNGPMTGSA-N
DG63765	Epoxy-chiromodine	6712084	Epoxy-chiromodine; NSC655737; NSC-655737; NCI60_019310	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655737	.	.	.	.	360.4	C21H28O5	69	618	2.9	26	0	5	5	"InChI=1S/C21H28O5/c1-19(11-15(22)13-8-10-25-12-13)14(18(23)24-4)7-9-20(2)16(19)5-6-17-21(20,3)26-17/h8,10,12,14,16-17H,5-7,9,11H2,1-4H3/t14 ,16-,17 ,19+,20 ,21-/m1/s1"	C[C@]1([C@H]2CCC3[C@](C2(CCC1C(=O)OC)C)(O3)C)CC(=O)C4=COC=C4	DCCBVOUCNYLYEK-VTHJUZLRSA-N
DG63766	NSC656177	6712095	"[(1S,4S,7R,10S,12R)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC656177; NSC-656177; NCI60_019432"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656177	.	.	.	.	811.9	C45H49NO13	215	1680	1.9	59	5	13	12	"InChI=1S/C45H49NO13/c1-24-29(57-41(54)35(50)33(26-15-9-6-10-16-26)46-39(52)27-17-11-7-12-18-27)22-45(55)38(58-40(53)28-19-13-8-14-20-28)36-43(5,37(51)34(49)32(24)42(45,3)4)30(48)21-31-44(36,23-56-31)59-25(2)47/h6-20,29-31,33-36,38,48-50,55H,21-23H2,1-5H3,(H,46,52)/t29 ,30 ,31-,33+,34-,35-,36 ,38 ,43-,44+,45-/m1/s1"	CC1=C2[C@H](C(=O)[C@@]3(C(C[C@@H]4[C@](C3C([C@@](C2(C)C)(CC1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)O	TYLVGQKNNUHXIP-WHQJTFKHSA-N
DG63767	NSC656178	6712096	"[(1S,4S,7R,10S,12R)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC656178; NSC-656178; NCI60_019433"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656178	.	.	.	.	544.6	C29H36O10	160	1090	0.6	39	4	10	5	"InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17 ,18 ,19-,21-,22 ,24 ,27-,28+,29-/m1/s1"	CC1=C2[C@H](C(=O)[C@@]3(C(C[C@@H]4[C@](C3C([C@@](C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O	YWLXLRUDGLRYDR-NPFWFQCCSA-N
DG63768	"(+/-) Ethyl trans-2-(3,4-dihydroxyphenyl) cyclopropane-carboxylate"	6712121	"CHEMBL1965830; NSC657270; NSC-657270; NCI60_019821; (+/-) Ethyl trans-2-(3,4-dihydroxyphenyl) cyclopropane-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657270	.	.	.	.	222.24	C12H14O4	66.8	266	1.6	16	2	4	4	"InChI=1S/C12H14O4/c1-2-16-12(15)9-6-8(9)7-3-4-10(13)11(14)5-7/h3-5,8-9,13-14H,2,6H2,1H3/t8-,9+/m0/s1"	CCOC(=O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)O)O	SWRWEMYWKUYJNN-DTWKUNHWSA-N
DG63769	"(+/-) Ethyl cis-2-(3,4-dihydroxyphenyl) cyclopropane-carboxylate"	6712122	"NSC657271; CHEMBL2006931; NSC-657271; NCI60_019822; (+/-) Ethyl cis-2-(3,4-dihydroxyphenyl) cyclopropane-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657271	.	.	.	.	222.24	C12H14O4	66.8	266	1.6	16	2	4	4	"InChI=1S/C12H14O4/c1-2-16-12(15)9-6-8(9)7-3-4-10(13)11(14)5-7/h3-5,8-9,13-14H,2,6H2,1H3/t8-,9-/m1/s1"	CCOC(=O)[C@@H]1C[C@@H]1C2=CC(=C(C=C2)O)O	SWRWEMYWKUYJNN-RKDXNWHRSA-N
DG63770	NSC658831	6712194	"[(1S,4S,7R,10S,12R)-4-acetyloxy-15-[(3S)-3-(hexanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-(3,4,5-trihydroxyoxan-2-yl)oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC658831; NSC-658831; NCI60_020686"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658831	.	.	.	.	938	C49H63NO17	274	1880	0.6	67	7	17	17	"InChI=1S/C49H63NO17/c1-7-8-11-20-33(53)50-35(27-16-12-9-13-17-27)38(56)44(60)64-30-22-49(61)42(66-43(59)28-18-14-10-15-19-28)40-47(6,41(58)37(55)34(25(30)2)46(49,4)5)31(21-32-48(40,24-63-32)67-26(3)51)65-45-39(57)36(54)29(52)23-62-45/h9-10,12-19,29-32,35-40,42,45,52,54-57,61H,7-8,11,20-24H2,1-6H3,(H,50,53)/t29 ,30 ,31 ,32-,35+,36 ,37-,38 ,39 ,40 ,42 ,45 ,47-,48+,49-/m1/s1"	CCCCCC(=O)N[C@@H](C1=CC=CC=C1)C(C(=O)OC2C[C@]3(C(C4[C@@](C(C[C@@H]5[C@]4(CO5)OC(=O)C)OC6C(C(C(CO6)O)O)O)(C(=O)[C@@H](C(=C2C)C3(C)C)O)C)OC(=O)C7=CC=CC=C7)O)O	XGWGQEYABFGJID-DUDRIPDSSA-N
DG63771	"7-O-(2,6-Trideoxy-2-fluoro-alpha-L-talo-hexopyranosyl)-4-demethoxydaunomycinone"	6712215	"NSC659948; NSC-659948; NCI60_021064; 7-O-(2,6-Trideoxy-2-fluoro-.alpha.-L-talo-hexopyranosyl)-4-demethoxydaunomycinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659948	.	.	.	.	516.5	C26H25FO10	171	944	2.2	37	5	11	3	"InChI=1S/C26H25FO10/c1-9-19(29)24(34)18(27)25(36-9)37-14-8-26(35,10(2)28)7-13-15(14)23(33)17-16(22(13)32)20(30)11-5-3-4-6-12(11)21(17)31/h3-6,9,14,18-19,24-25,29,32-35H,7-8H2,1-2H3/t9 ,14 ,18 ,19 ,24 ,25 ,26-/m0/s1"	CC1C(C(C(C(O1)OC2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)F)O)O	NGJXJNTVSNDJSI-WMTCIOGSSA-N
DG63772	"14-Bromo-7-O-(2,6-trideoxy-2-fluoro-alpha-L-talo-hexo-pyranosyl)-4-demethoxydaunomycinone"	6712216	"NSC659949; NSC-659949; NCI60_021065; 14-Bromo-7-O-(2,6-trideoxy-2-fluoro-.alpha.-L-talo-hexo- pyranosyl)-4-demethoxydaunomycinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659949	.	.	.	.	595.4	C26H24BrFO10	171	966	2.5	38	5	11	4	"InChI=1S/C26H24BrFO10/c1-9-19(30)24(35)18(28)25(37-9)38-13-7-26(36,14(29)8-27)6-12-15(13)23(34)17-16(22(12)33)20(31)10-4-2-3-5-11(10)21(17)32/h2-5,9,13,18-19,24-25,30,33-36H,6-8H2,1H3/t9 ,13 ,18 ,19 ,24 ,25 ,26-/m0/s1"	CC1C(C(C(C(O1)OC2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CBr)O)F)O)O	YSPAGBZXAVKHPD-VFQFLLOGSA-N
DG63773	"7-O-(3,3,6-trideoxy-2-fluoro-alpha-L-talo-hexopyranosyl)-4-demethoxydaunomycinone"	6712217	"NSC659950; NSC-659950; NCI60_021066; 7-O-(3,3,6-trideoxy-2-fluoro-.alpha.-L-talo-hexopyranosyl)-4-demethoxydaunomycinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659950	.	.	.	.	600.5	C30H29FO12	183	1160	3.3	43	3	13	7	"InChI=1S/C30H29FO12/c1-11-27(41-13(3)33)28(42-14(4)34)22(31)29(40-11)43-18-10-30(39,12(2)32)9-17-19(18)26(38)21-20(25(17)37)23(35)15-7-5-6-8-16(15)24(21)36/h5-8,11,18,22,27-29,37-39H,9-10H2,1-4H3/t11 ,18 ,22 ,27 ,28 ,29 ,30-/m0/s1"	CC1C(C(C(C(O1)OC2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)F)OC(=O)C)OC(=O)C	KSPIDFVFEYXKKS-FWBYHSKOSA-N
DG63774	"2-Debenzoyl-2-(3',5'-difluorobenzoyl)-A-nortaxol"	6712230	"NSC661746; NSC-661746; NCI60_021433; 2-Debenzoyl-2-(3',5'-difluorobenzoyl)-A-nortaxol; 2-Debenzoyl-2-(3',5'-difluorobenzoyl)-15(16)-anhydro-11(15->1)-abeotaxol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661746	.	.	.	.	871.9	C47H47F2NO13	201	1870	3.9	63	3	15	15	"InChI=1S/C47H47F2NO13/c1-23(2)46-21-32(61-44(58)37(54)36(27-13-9-7-10-14-27)50-42(56)28-15-11-8-12-16-28)24(3)35(46)38(60-25(4)51)40(55)45(6)33(53)20-34-47(22-59-34,63-26(5)52)39(45)41(46)62-43(57)29-17-30(48)19-31(49)18-29/h7-19,32-34,36-39,41,53-54H,1,20-22H2,2-6H3,(H,50,56)/t32 ,33-,34+,36-,37 ,38+,39 ,41 ,45+,46-,47-/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3C([C@@]2(CC1OC(=O)C([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)C(=C)C)OC(=O)C7=CC(=CC(=C7)F)F)(CO4)OC(=O)C)O)C)OC(=O)C	PAMGAKKRYNEWMG-BCAIOGNXSA-N
DG63775	NSC662158	6712240	"[(1S,4S,7R,9S,10S,12R)-4,12-diacetyloxy-15-[3-[(3-chlorobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC662158; NSC-662158; NCI60_021563"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662158	.	.	.	.	888.3	C47H50ClNO14	221	1840	3.1	63	4	14	14	"InChI=1S/C47H50ClNO14/c1-24-31(61-43(57)36(53)35(27-14-9-7-10-15-27)49-41(55)29-18-13-19-30(48)20-29)22-47(58)40(62-42(56)28-16-11-8-12-17-28)38-45(6,32(52)21-33-46(38,23-59-33)63-26(3)51)39(54)37(60-25(2)50)34(24)44(47,4)5/h7-20,31-33,35-38,40,52-53,58H,21-23H2,1-6H3,(H,49,55)/t31 ,32-,33+,35 ,36 ,37+,38 ,40 ,45+,46-,47+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3C([C@@](C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC(=CC=C6)Cl)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	OXEKAIRPEWMBFZ-HXZKEHTGSA-N
DG63776	NSC662160	6712242	"[(1S,4S,7R,9S,10S,12R)-4,12-diacetyloxy-15-[3-benzamido-3-(4-fluorophenyl)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC662160; NSC-662160; NCI60_021565"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662160	.	.	.	.	871.9	C47H50FNO14	221	1830	2.6	63	4	15	14	"InChI=1S/C47H50FNO14/c1-24-31(61-43(57)36(53)35(27-17-19-30(48)20-18-27)49-41(55)28-13-9-7-10-14-28)22-47(58)40(62-42(56)29-15-11-8-12-16-29)38-45(6,32(52)21-33-46(38,23-59-33)63-26(3)51)39(54)37(60-25(2)50)34(24)44(47,4)5/h7-20,31-33,35-38,40,52-53,58H,21-23H2,1-6H3,(H,49,55)/t31 ,32-,33+,35 ,36 ,37+,38 ,40 ,45+,46-,47+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3C([C@@](C2(C)C)(CC1OC(=O)C(C(C5=CC=C(C=C5)F)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	FEAWFVLPLSRVKF-HXZKEHTGSA-N
DG63777	NSC662161	6712243	"[(1S,4S,7R,9S,10S,12R)-4,12-diacetyloxy-15-[3-(butoxycarbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC662161; NSC-662161; NCI60_021566"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662161	.	.	.	.	849.9	C45H55NO15	231	1730	2.5	61	4	15	17	"InChI=1S/C45H55NO15/c1-8-9-20-56-41(54)46-33(27-16-12-10-13-17-27)34(50)40(53)59-29-22-45(55)38(60-39(52)28-18-14-11-15-19-28)36-43(7,30(49)21-31-44(36,23-57-31)61-26(4)48)37(51)35(58-25(3)47)32(24(29)2)42(45,5)6/h10-19,29-31,33-36,38,49-50,55H,8-9,20-23H2,1-7H3,(H,46,54)/t29 ,30-,31+,33 ,34 ,35+,36 ,38 ,43+,44-,45+/m0/s1"	CCCCOC(=O)NC(C1=CC=CC=C1)C(C(=O)OC2C[C@]3(C(C4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O	RQFZIBKSUVOOCI-RIDOBZAASA-N
DG63778	(-)-ent-Bullatacin	6712244	(-)-ent-Bullatacin; NSC662303; NSC-662303; NCI60_021593	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662303	.	.	.	.	622.9	C37H66O7	105	801	9.7	44	3	7	25	"InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28 ,30 ,31-,32+,33+,34+,35+,36+/m1/s1"	CCCCCCCCCC[C@H]([C@@H]1CC[C@H](O1)[C@@H]2CC[C@H](O2)[C@H](CCCCCCCCCCC(CC3=CC(OC3=O)C)O)O)O	MBABCNBNDNGODA-MWEJZUJISA-N
DG63779	2-Chloro-3-(N-(L)-tyrosinamido)naphthazarin	6712245	NSC662376; CHEMBL1991294; NSC-662376; NCI60_021603; 2-Chloro-3-(N-(L)-tyrosinamido)naphthazarin	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662376	.	.	.	.	402.8	C19H15ClN2O6	150	663	3	28	5	7	5	"InChI=1S/C19H15ClN2O6/c20-15-16(18(27)14-12(25)6-5-11(24)13(14)17(15)26)22-10(19(21)28)7-8-1-3-9(23)4-2-8/h1-6,10,22-23,26-27H,7H2,(H2,21,28)/t10-/m0/s1"	C1=CC(=CC=C1C[C@@H](C(=O)N)NC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O)O	LCOPGVLOUQXVDH-JTQLQIEISA-N
DG63780	2-Chloro-3-(N-L-phenylalanino)naphthazarin benzyl ester	6712246	NSC662378; CHEMBL1965945; NSC-662378; NCI60_021605; 2-Chloro-3-(N-L-phenylalanino)naphthazarin benzyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662378	.	.	.	.	477.9	C26H20ClNO6	113	775	5.9	34	3	7	8	"InChI=1S/C26H20ClNO6/c27-22-23(25(32)21-19(30)12-11-18(29)20(21)24(22)31)28-17(13-15-7-3-1-4-8-15)26(33)34-14-16-9-5-2-6-10-16/h1-12,17,28,31-32H,13-14H2/t17-/m0/s1"	C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC3=C(C4=C(C(=O)C=CC4=O)C(=C3Cl)O)O	MYMMJDIIMXOXGG-KRWDZBQOSA-N
DG63781	2-Chloro-3-(N-L-alanino)naphthazarin p-nitrophenylamide	6712248	NSC662380; CHEMBL1984020; NSC-662380; NCI60_021607; 2-Chloro-3-(N-L-alanino)naphthazarin p-nitrophenylamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662380	.	.	.	.	431.8	C19H14ClN3O7	162	747	3.6	30	4	8	4	"InChI=1S/C19H14ClN3O7/c1-8(19(28)22-9-2-4-10(5-3-9)23(29)30)21-16-15(20)17(26)13-11(24)6-7-12(25)14(13)18(16)27/h2-8,21,26-27H,1H3,(H,22,28)/t8-/m0/s1"	C[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O	BWWHZEWDBOVAHI-QMMMGPOBSA-N
DG63782	NSC663008	6712254	"[6-[[(8R,10S)-3-acetyloxy-17-[(2S)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate; NSC663008; NSC-663008; NCI60_021723"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663008	.	.	.	.	753	C41H68O12	181	1380	4.1	53	5	12	13	"InChI=1S/C41H68O12/c1-21(18-25(44)35(48)38(6,7)49-11)24-12-13-27-39(24,8)16-14-28-40(9)17-15-30(51-23(3)43)37(4,5)29(40)19-31(41(27,28)10)53-36-34(47)33(46)32(45)26(52-36)20-50-22(2)42/h13,21,24-26,28-36,44-48H,12,14-20H2,1-11H3/t21-,24 ,25 ,26 ,28 ,29 ,30 ,31 ,32 ,33 ,34 ,35 ,36 ,39 ,40+,41-/m0/s1"	C[C@@H](CC(C(C(C)(C)OC)O)O)C1CC=C2C1(CCC3[C@]2(C(CC4[C@@]3(CCC(C4(C)C)OC(=O)C)C)OC5C(C(C(C(O5)COC(=O)C)O)O)O)C)C	LMBYRQRHBGASEU-HACDAJBJSA-N
DG63783	NSC664402	6712269	"[(1S,3R,4S,7R,9S,10S,12R)-4,12-diacetyloxy-15-[(3S)-3-(2,2-dimethylpropanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC664402; NSC-664402; NCI60_022213"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664402	.	.	.	.	833.9	C45H55NO14	221	1750	2.2	60	4	14	14	"InChI=1S/C45H55NO14/c1-23-28(58-39(53)33(50)32(26-16-12-10-13-17-26)46-40(54)41(4,5)6)21-45(55)37(59-38(52)27-18-14-11-15-19-27)35-43(9,29(49)20-30-44(35,22-56-30)60-25(3)48)36(51)34(57-24(2)47)31(23)42(45,7)8/h10-19,28-30,32-35,37,49-50,55H,20-22H2,1-9H3,(H,46,54)/t28 ,29-,30+,32-,33 ,34+,35-,37 ,43+,44-,45+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3C([C@@](C2(C)C)(CC1OC(=O)C([C@H](C5=CC=CC=C5)NC(=O)C(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C	KNOHTDDBTZZQSM-MORJDCNNSA-N
DG63784	NSC664403	6712270	"[(1S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(3S)-3-(3,3-dimethylbutanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC664403; NSC-664403; NCI60_022214"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664403	.	.	.	.	847.9	C46H57NO14	221	1770	2.5	61	4	14	15	"InChI=1S/C46H57NO14/c1-24-29(59-41(55)35(52)34(27-16-12-10-13-17-27)47-32(51)22-42(4,5)6)21-46(56)39(60-40(54)28-18-14-11-15-19-28)37-44(9,30(50)20-31-45(37,23-57-31)61-26(3)49)38(53)36(58-25(2)48)33(24)43(46,7)8/h10-19,29-31,34-37,39,50,52,56H,20-23H2,1-9H3,(H,47,51)/t29-,30-,31+,34-,35 ,36+,37-,39 ,44+,45-,46+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3C([C@@](C2(C)C)(C[C@@H]1OC(=O)C([C@H](C5=CC=CC=C5)NC(=O)CC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C	YGLFDWOOFAIXQJ-UJPCJXGTSA-N
DG63785	NSC664404	6712271	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-(3-methylbutanoylamino)-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC664404; CHEMBL304139; NSC-664404; NCI60_022215"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664404	.	.	.	.	833.9	C45H55NO14	221	1730	2.1	60	4	14	15	"InChI=1S/C45H55NO14/c1-23(2)19-32(50)46-34(27-15-11-9-12-16-27)35(51)41(54)58-29-21-45(55)39(59-40(53)28-17-13-10-14-18-28)37-43(8,30(49)20-31-44(37,22-56-31)60-26(5)48)38(52)36(57-25(4)47)33(24(29)3)42(45,6)7/h9-18,23,29-31,34-37,39,49,51,55H,19-22H2,1-8H3,(H,46,50)/t29-,30-,31+,34-,35+,36+,37-,39-,43+,44-,45+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)CC(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C	GLNMJUMVLZLAFL-IMIIKSCNSA-N
DG63786	"(1S,5S,8R,11R,12R)-5-methoxy-2,12-dimethyl-6-methylidene-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-7,17-dione"	6712298	NSC666385; NSC-666385; NCI60_023067	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666385	.	.	.	.	344.4	C21H28O4	52.6	727	2.7	25	0	4	1	"InChI=1S/C21H28O4/c1-13-15(22)19-9-6-14-17(2)7-5-8-21(14,25-16(17)23)18(19,3)10-11-20(13,12-19)24-4/h14H,1,5-12H2,2-4H3/t14-,17-,18 ,19+,20+,21+/m1/s1"	C[C@@]12CCC[C@@]3([C@@H]1CC[C@]45C3(CC[C@](C4)(C(=C)C5=O)OC)C)OC2=O	UCXBBKCPRLOQQA-HBXWJTHTSA-N
DG63787	"(+)-3,17beta-Trihydroxyestra-1,3,5(10)-triene-3-acetate-11,17-dinitrate ester"	6712303	"NSC666570; CHEMBL1986925; NSC-666570; NCI60_023200; (+)-3,17.beta.-Trihydroxyestra-1,3,5(10)-triene-3-acetate-11,17-dinitrate ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666570	.	.	.	.	420.4	C20H24N2O8	136	706	4.8	30	0	8	4	"InChI=1S/C20H24N2O8/c1-11(23)28-13-4-6-14-12(9-13)3-5-15-16-7-8-18(30-22(26)27)20(16,2)10-17(19(14)15)29-21(24)25/h4,6,9,15-19H,3,5,7-8,10H2,1-2H3/t15-,16 ,17-,18-,19 ,20-/m0/s1"	CC(=O)OC1=CC2=C(C=C1)C3[C@@H](CC2)C4CC[C@@H]([C@]4(C[C@@H]3O[N+](=O)[O-])C)O[N+](=O)[O-]	JAKAWTKVXSESHC-SZMDNOMZSA-N
DG63788	"2,4,6-Tris[(1-oxidopyridin-1-ium-2-yl)sulfanyl]-1,3,5-triazine"	6712326	NCI60_024208; CHEMBL1982212; NSC669393; NSC-669393	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669393	.	.	.	.	456.5	C18H12N6O3S3	191	458	2	30	0	9	6	InChI=1S/C18H12N6O3S3/c25-22-10-4-1-7-13(22)28-16-19-17(29-14-8-2-5-11-23(14)26)21-18(20-16)30-15-9-3-6-12-24(15)27/h1-12H	C1=CC=[N+](C(=C1)SC2=NC(=NC(=N2)SC3=CC=CC=[N+]3[O-])SC4=CC=CC=[N+]4[O-])[O-]	XRKVBUSAGFBTQO-UHFFFAOYSA-N
DG63789	"3-Bromo-2,6-dichloro-3-(chloromethyl)-7-methyloct-1-ene;2,3-dibromo-6-chloro-3-(chloromethyl)-7-methyloct-1-ene"	6712340	NCI60_024947; CHEMBL2006488; NSC670798; NSC-670798	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670798	.	.	.	.	689.4	C20H32Br3Cl5	0	388	.	28	0	0	12	"InChI=1S/C10H16Br2Cl2.C10H16BrCl3/c1-7(2)9(14)4-5-10(12,6-13)8(3)11;1-7(2)9(14)4-5-10(11,6-12)8(3)13/h2*7,9H,3-6H2,1-2H3"	CC(C)C(CCC(CCl)(C(=C)Cl)Br)Cl.CC(C)C(CCC(CCl)(C(=C)Br)Br)Cl	LNVPKWIMTSCNDO-UHFFFAOYSA-N
DG63790	NSC676810	6712364	"[6-[(3R,3'S,5R,5'R,7R,8R,9R,10S,13S,14R,17R)-3-acetyloxy-5'-[(1S)-1-hydroxy-2-methoxy-2-methylpropyl]-3',4,4,8,10,14-hexamethylspiro[1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate; NSC676810; CHEMBL1975449; NSC-676810; NCI60_027258; Spiro[18-norandrostane-17,7-diol, 3-O-acetyl-7-O-(6-O-acetyl-.beta.-D-glucopyranosyl)- 4',5'-dihydro-5'-(1-.alpha.-hydroxy-2-methoxy- 2-methylpropyl)-3',4,4,8-tetramethyl-(3-.alpha.,3'-beta.,5-.alpha.,7-.alpha,17-.beta.)-; Spiro[furan-2(3H),7'-diol, 3'-O-acetyl-7'-O-(6-O-acetyl-.beta.-D-glucopyranosyl)- 4,5-dihydro-5-(1-.alpha.-hydroxy-2-methoxy-2-methylpropyl)- 3,4',4',8',10',14'-hexamethyl-, (3-.beta.,3'-.alpha.,5'-.alpha.,7'-.alpha.,8'-.beta., 14'-.alpha.,17'-.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676810	.	.	.	.	753	C41H68O12	170	1390	4.3	53	4	12	10	"InChI=1S/C41H68O12/c1-21-18-24(34(47)37(6,7)48-11)53-41(21)17-16-39(9)27(41)13-12-26-38(8)15-14-29(50-23(3)43)36(4,5)28(38)19-30(40(26,39)10)52-35-33(46)32(45)31(44)25(51-35)20-49-22(2)42/h21,24-35,44-47H,12-20H2,1-11H3/t21-,24+,25 ,26+,27-,28-,29+,30+,31 ,32 ,33 ,34-,35 ,38+,39+,40-,41+/m0/s1"	C[C@H]1C[C@@H](O[C@]12CC[C@@]3([C@@H]2CC[C@H]4[C@]3([C@@H](C[C@@H]5[C@@]4(CC[C@H](C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C)C)[C@@H](C(C)(C)OC)O	AYUSIRGMJHDARB-ISQHVAAISA-N
DG63791	"(3S,6S)-3,6-bis(5-bromo-1H-indol-3-yl)piperazine-2,5-dione"	6712394	NCI60_028557; CHEMBL1967610; NSC679833; NSC-679833	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679833	.	.	.	.	502.2	C20H14Br2N4O2	89.8	596	3.7	28	4	2	2	"InChI=1S/C20H14Br2N4O2/c21-9-1-3-15-11(5-9)13(7-23-15)17-19(27)26-18(20(28)25-17)14-8-24-16-4-2-10(22)6-12(14)16/h1-8,17-18,23-24H,(H,25,28)(H,26,27)/t17-,18-/m0/s1"	C1=CC2=C(C=C1Br)C(=CN2)[C@H]3C(=O)N[C@H](C(=O)N3)C4=CNC5=C4C=C(C=C5)Br	QPIZORHRHWBUQI-ROUUACIJSA-N
DG63792	"Dihydroartemisinyl ether, stereoisomer of NSC-685989"	6712439	"NCIChal_000034; CHEMBL1973659; NSC685988; NSC-685988; NCI60_030970; Dihydroartemisinyl ether, stereoisomer of NSC-685989; 3,3-j]-1,2-benzodioxepin, 10,10'-(oxy)bis[decahydro-3,6,9-trimethyl-, stereoisomer, stereoisomer of NSC-685989"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685988	.	.	.	.	550.7	C30H46O9	83.1	920	6	39	0	9	2	"InChI=1S/C30H46O9/c1-15-7-9-21-17(3)23(32-25-29(21)19(15)11-13-27(5,34-25)36-38-29)31-24-18(4)22-10-8-16(2)20-12-14-28(6)35-26(33-24)30(20,22)39-37-28/h15-26H,7-14H2,1-6H3/t15-,16-,17-,18-,19 ,20 ,21 ,22 ,23-,24+,25-,26-,27-,28-,29-,30-/m1/s1"	C[C@@H]1CCC2[C@H]([C@H](O[C@H]3[C@@]24C1CC[C@](O3)(OO4)C)O[C@H]5[C@@H](C6CC[C@H](C7[C@]68[C@H](O5)O[C@@](CC7)(OO8)C)C)C)C	DFPBBOCDGYBNBR-VDUGFFJNSA-N
DG63793	"Dihydroartemisinyl ether, stereoisomer of NSC-685988"	6712440	"Dihydroartemisinyl ether, stereoisomer of NSC-685988; CHEMBL2004091; NSC685989; NSC-685989; NCI60_030971; 3,3-j]-1,2-benzodioxepin, 10,10'-(oxy)bis[decahydro-3,6,9-trimethyl-, stereoisomer, stereoisomer of NSC-685988"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685989	.	.	.	.	550.7	C30H46O9	83.1	920	6	39	0	9	2	"InChI=1S/C30H46O9/c1-15-7-9-21-17(3)23(32-25-29(21)19(15)11-13-27(5,34-25)36-38-29)31-24-18(4)22-10-8-16(2)20-12-14-28(6)35-26(33-24)30(20,22)39-37-28/h15-26H,7-14H2,1-6H3/t15-,16-,17-,18-,19 ,20 ,21 ,22 ,23+,24+,25-,26-,27-,28-,29-,30-/m1/s1"	C[C@@H]1CCC2[C@H]([C@H](O[C@H]3[C@@]24C1CC[C@](O3)(OO4)C)O[C@@H]5[C@@H](C6CC[C@H](C7[C@]68[C@H](O5)O[C@@](CC7)(OO8)C)C)C)C	DFPBBOCDGYBNBR-OOZODUPISA-N
DG63794	NSC687103	6712445	"[(1R,2R,4S,8R,9S,10R,15S)-9-hydroxy-1,10-dimethyl-5,14-dimethylidene-6-oxo-7,18-dioxatricyclo[13.2.1.04,8]octadecan-2-yl] acetate; NSC687103; CHEMBL2000907; NSC-687103; NCI60_031385"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687103	.	.	.	.	392.5	C22H32O6	82.1	670	2.9	28	1	6	2	"InChI=1S/C22H32O6/c1-12-7-6-8-13(2)19(24)20-16(14(3)21(25)27-20)11-18(26-15(4)23)22(5)10-9-17(12)28-22/h13,16-20,24H,1,3,6-11H2,2,4-5H3/t13-,16+,17+,18-,19+,20-,22-/m1/s1"	C[C@@H]1CCCC(=C)[C@@H]2CC[C@@](O2)([C@@H](C[C@@H]3[C@H]([C@H]1O)OC(=O)C3=C)OC(=O)C)C	VZRGSEITNXYROX-GRLGMJMGSA-N
DG63795	NSC687963	6712448	"(2S)-4-[(13S)-13-hydroxy-13-[(5R)-5-[(5R)-5-[(1S)-1,5,10-trihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one; NSC687963; NSC-687963; NCI60_031747"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687963	.	.	.	.	638.9	C37H66O8	126	833	7.8	45	4	8	25	"InChI=1S/C37H66O8/c1-27(38)16-13-14-18-30(39)19-15-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)20-12-10-8-6-4-3-5-7-9-11-17-29-26-28(2)43-37(29)42/h26-28,30-36,38-41H,3-25H2,1-2H3/t27 ,28-,30 ,31-,32-,33 ,34+,35+,36 /m0/s1"	C[C@H]1C=C(C(=O)O1)CCCCCCCCCCCC[C@@H](C2CC[C@@H](O2)C3CC[C@@H](O3)[C@H](CCCC(CCCCC(C)O)O)O)O	NHLVTOZHHUKGNO-BMOUAGQVSA-N
DG63796	Deoxyartemisitene	6712468	deoxyartemisitene; NSC690035; CHEMBL462718; NSC-690035; NCI60_032365	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690035	.	.	.	.	264.32	C15H20O4	44.8	473	2.6	19	0	4	0	"InChI=1S/C15H20O4/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-15/h8,10-11,13H,2,4-7H2,1,3H3/t8-,10+,11+,13-,14-,15-/m1/s1"	C[C@@H]1CC[C@H]2C(=C)C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(O4)C	DUQONUJDFSRMQE-KPHNHPKPSA-N
DG63797	NSC690440	6712470	"(1R,8R,9R)-8-[(1R,8R,9R)-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene; NSC690440; NSC-690440; NCI60_032475"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690440	.	.	.	.	498.7	C34H34N4	51.6	827	6	38	0	4	3	"InChI=1S/C34H34N4/c1-33(2)23-15-25(33)31(19-13-29(37-17-21(19)23)27-9-5-7-11-35-27)32-20-14-30(28-10-6-8-12-36-28)38-18-22(20)24-16-26(32)34(24,3)4/h5-14,17-18,23-26,31-32H,15-16H2,1-4H3/t23-,24-,25+,26+,31+,32+/m0/s1"	CC1([C@@H]2C[C@H]1C3=CN=C(C=C3[C@H]2[C@H]4[C@H]5C[C@H](C5(C)C)C6=CN=C(C=C46)C7=CC=CC=N7)C8=CC=CC=N8)C	VOXCICWDOQIAJB-POGJZYIOSA-N
DG63798	NSC690441	6712471	"(1S,8R,9S)-8-[[3-[[(1S,8R,9S)-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]methyl]phenyl]methyl]-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene; CHEMBL1986782; NSC690441; NSC-690441; NCI60_032476"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690441	.	.	.	.	602.8	C42H42N4	51.6	1000	8.2	46	0	4	6	"InChI=1S/C42H42N4/c1-41(2)33-21-35(41)31-23-45-39(37-12-5-7-14-43-37)19-27(31)29(33)17-25-10-9-11-26(16-25)18-30-28-20-40(38-13-6-8-15-44-38)46-24-32(28)36-22-34(30)42(36,3)4/h5-16,19-20,23-24,29-30,33-36H,17-18,21-22H2,1-4H3/t29-,30-,33-,34-,35+,36+/m0/s1"	CC1([C@H]2C[C@@H]1C3=CN=C(C=C3[C@@H]2CC4=CC(=CC=C4)C[C@@H]5[C@@H]6C[C@@H](C6(C)C)C7=CN=C(C=C57)C8=CC=CC=N8)C9=CC=CC=N9)C	BKBCQMDTIWHCSA-BPUVTEHRSA-N
DG63799	NSC696077	6712544	(2R)-2-[[(2S)-2-[[2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[2-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]ethyl]pentanediamide; NSC696077; CHEMBL1979701; NSC-696077; NCI60_034335	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696077	.	.	.	.	848.9	C40H48N8O13	315	1550	0.8	61	9	15	19	"InChI=1S/C40H48N8O13/c1-21(44-31(52)20-59-37-34(45-22(2)50)40(61-29(18-49)36(37)54)60-19-23-8-4-3-5-9-23)39(56)47-27(38(41)55)13-15-30(51)43-17-16-42-26-12-14-28(48(57)58)33-32(26)35(53)24-10-6-7-11-25(24)46-33/h3-12,14,21,27,29,34,36-37,40,42,49,54H,13,15-20H2,1-2H3,(H2,41,55)(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,47,56)/t21-,27+,29 ,34 ,36 ,37 ,40 /m0/s1"	C[C@@H](C(=O)N[C@H](CCC(=O)NCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C	GYAVOWHOELUWTK-XVGXCWDFSA-N
DG63800	Mimuscopic acid	6712545	Mimuscopic acid; Mimusopic acid; NCI60_034341; CHEMBL2004250; NSC696122; NSC-696122	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696122	.	.	.	.	486.7	C30H46O5	98	1010	5	35	4	5	2	"InChI=1S/C30H46O5/c1-25(2)9-13-30(24(34)35)14-12-27(4)19(21(30)16-25)8-7-18-20-15-22(32)23(33)29(6,17-31)28(20,5)11-10-26(18,27)3/h8,21-23,31-33H,7,9-17H2,1-6H3,(H,34,35)/t21-,22-,23-,26+,27+,28-,29+,30-/m0/s1"	C[C@@]12CC[C@]3(C(=C1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C[C@@H]([C@@H]([C@@]3(C)CO)O)O)C	LCZNLGJYHVTTAT-RALSZBTISA-N
DG63801	"1beta-(Chloromethyl)-3-[(5,6,7-trimethoxy-1H-indole-2-yl)carbonyl]-2,3-dihydro-1H-benzo[e]indole-5-amine"	6712547	"SCHEMBL5623207; CHEMBL1965974; NSC696127; NSC-696127; NCI60_034346; 1beta-(Chloromethyl)-3-[(5,6,7-trimethoxy-1H-indole-2-yl)carbonyl]-2,3-dihydro-1H-benzo[e]indole-5-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696127	.	.	.	.	465.9	C25H24ClN3O4	89.8	713	4.3	33	2	5	5	"InChI=1S/C25H24ClN3O4/c1-31-20-9-13-8-18(28-22(13)24(33-3)23(20)32-2)25(30)29-12-14(11-26)21-16-7-5-4-6-15(16)17(27)10-19(21)29/h4-10,14,28H,11-12,27H2,1-3H3/t14-/m0/s1"	COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3C[C@@H](C4=C3C=C(C5=CC=CC=C54)N)CCl)OC)OC	BMQWJFCUALXVCK-AWEZNQCLSA-N
DG63802	"1alpha-(Chloromethyl)-3-[(5,6,7-trimethoxy-1H-indole-2-yl)carbonyl]-2,3-dihydro-1H-benzo[e]indole-5-amine"	6712548	"SCHEMBL5624264; CHEMBL1982491; NSC696128; NSC-696128; NCI60_034347; 1H-Benz[e]indol-5-amine,3-dihydro- 3-(5,6,7-trimethoxy-1H-indol-2-ylcarbonyl)-, (1S)-; 1alpha-(Chloromethyl)-3-[(5,6,7-trimethoxy-1H-indole-2-yl)carbonyl]-2,3-dihydro-1H-benzo[e]indole-5-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696128	.	.	.	.	465.9	C25H24ClN3O4	89.8	713	4.3	33	2	5	5	"InChI=1S/C25H24ClN3O4/c1-31-20-9-13-8-18(28-22(13)24(33-3)23(20)32-2)25(30)29-12-14(11-26)21-16-7-5-4-6-15(16)17(27)10-19(21)29/h4-10,14,28H,11-12,27H2,1-3H3/t14-/m1/s1"	COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3C[C@H](C4=C3C=C(C5=CC=CC=C54)N)CCl)OC)OC	BMQWJFCUALXVCK-CQSZACIVSA-N
DG63803	N-(4-Amino-4-deoxy-N10-methypteroyl)-L-homocysteic acid	6712549	CHEMBL1999985; NSC696559; NSC-696559; NCI60_034432; N-(4-Amino-4-deoxy-N10-methypteroyl)-L-homocysteic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696559	.	.	.	.	490.5	C19H22N8O6S	236	818	-2.5	34	5	13	9	"InChI=1S/C19H22N8O6S/c1-27(9-11-8-22-16-14(23-11)15(20)25-19(21)26-16)12-4-2-10(3-5-12)17(28)24-13(18(29)30)6-7-34(31,32)33/h2-5,8,13H,6-7,9H2,1H3,(H,24,28)(H,29,30)(H,31,32,33)(H4,20,21,22,25,26)/t13-/m0/s1"	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCS(=O)(=O)O)C(=O)O	AZBMALLCUFVCHQ-ZDUSSCGKSA-N
DG63804	NSC697264	6712557	"(1R,2S,4S,8R,9S,10R,14R,15S)-9-hydroxy-2,14-diiodo-1,10,14-trimethyl-5-methylidene-7,18-dioxatricyclo[13.2.1.04,8]octadecan-6-one; NSC697264; CHEMBL1965731; NSC-697264; NCI60_034699"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697264	.	.	.	.	588.3	C20H30I2O4	55.8	582	5.2	26	1	4	0	"InChI=1S/C20H30I2O4/c1-11-6-5-8-19(3,22)15-7-9-20(4,26-15)14(21)10-13-12(2)18(24)25-17(13)16(11)23/h11,13-17,23H,2,5-10H2,1,3-4H3/t11-,13+,14+,15+,16+,17-,19-,20-/m1/s1"	C[C@@H]1CCC[C@@]([C@@H]2CC[C@@](O2)([C@H](C[C@@H]3[C@H]([C@H]1O)OC(=O)C3=C)I)C)(C)I	HAHQOIVSSFBLHO-ZZCSQFIKSA-N
DG63805	N-acetyl-1-benzyl-nor-muramyl-L-alanyl-D-isoglutamyl-N-delta-butylamino-N[4'-nitroacridone-9'(10H)]	6712566	NCI60_034765; CHEMBL1969865; NSC-697469; N-acetyl-1-benzyl-nor-muramyl-L-alanyl-D-isoglutamyl-N- .delta.-butylamino-N[4'-nitroacridone-9'(10H)]	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617570	.	.	.	.	876.9	C42H52N8O13	315	1580	1.5	63	9	15	21	"InChI=1S/C42H52N8O13/c1-23(46-33(54)22-61-39-36(47-24(2)52)42(63-31(20-51)38(39)56)62-21-25-10-4-3-5-11-25)41(58)49-29(40(43)57)15-17-32(53)45-19-9-8-18-44-28-14-16-30(50(59)60)35-34(28)37(55)26-12-6-7-13-27(26)48-35/h3-7,10-14,16,23,29,31,36,38-39,42,44,51,56H,8-9,15,17-22H2,1-2H3,(H2,43,57)(H,45,53)(H,46,54)(H,47,52)(H,48,55)(H,49,58)"	CC(C(=O)NC(CCC(=O)NCCCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C	YWIKBQNWKPHAKZ-UHFFFAOYSA-N
DG63806	N-acetyl-1-benzyl-muramyl-L-valil-D-isoglutamyl-[N-(2-aminoethyl)-2-aminoethyl]-4-nitro-9-aminoacridine	6712568	NCI60_034768; CHEMBL1991703; NSC697472; NSC-697472; N-acetyl-1-benzyl-muramyl-L-valil-D-isoglutamyl-[N-(2-aminoethyl)-2-aminoethyl]-4-nitro-9-aminoacridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697472	.	.	.	.	918	C45H59N9O12	310	1600	1.7	66	9	15	23	"InChI=1S/C45H59N9O12/c1-25(2)37(53-43(60)26(3)65-41-39(50-27(4)56)45(66-34(23-55)40(41)58)64-24-28-11-6-5-7-12-28)44(61)52-32(42(46)59)17-18-35(57)48-21-19-47-20-22-49-38-29-13-8-9-14-30(29)51-31-15-10-16-33(36(31)38)54(62)63/h5-16,25-26,32,34,37,39-41,45,47,55,58H,17-24H2,1-4H3,(H2,46,59)(H,48,57)(H,49,51)(H,50,56)(H,52,61)(H,53,60)/t26 ,32-,34 ,37 ,39 ,40 ,41 ,45 /m0/s1"	CC(C)C(C(=O)N[C@@H](CCC(=O)NCCNCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C	CYPPHZSQAAJLTI-LOHJYSQPSA-N
DG63807	17-hydroxyjolkinolide A	6712606	17-hydroxyjolkinolide A; CHEBI:69826; Caudicifolin; NCI60_035895; CHEMBL1988221; NSC700086; NSC-700086; Q27138167; 65388-16-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700086	.	.	.	.	330.4	C20H26O4	59.1	702	3.2	24	1	4	1	"InChI=1S/C20H26O4/c1-18(2)6-4-7-19(3)13(18)5-8-20-14(19)9-12-15(16(20)24-20)11(10-21)17(22)23-12/h9,13-14,16,21H,4-8,10H2,1-3H3/t13-,14+,16-,19-,20+/m1/s1"	C[C@@]12CCCC([C@H]1CC[C@]34[C@H]2C=C5C(=C(C(=O)O5)CO)[C@H]3O4)(C)C	DIJWCRKTZVUBDY-PHJMNMFVSA-N
DG63808	17-Hydroxyjolkinolide B	6712607	17-Hydroxyjolkinolide B; CHEBI:69828; NCI60_035897; CHEMBL1992827; CHEMBL2373855; NSC700088; NSC-700088; Q27138169	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700088	.	.	.	.	346.4	C20H26O5	71.6	740	2.5	25	1	5	1	"InChI=1S/C20H26O5/c1-17(2)6-4-7-18(3)11(17)5-8-19-13(18)15-20(24-15)12(14(19)23-19)10(9-21)16(22)25-20/h11,13-15,21H,4-9H2,1-3H3/t11-,13+,14-,15-,18-,19+,20-/m1/s1"	C[C@@]12CCCC([C@H]1CC[C@]34[C@H]2[C@@H]5[C@@]6(O5)C(=C(C(=O)O6)CO)[C@H]3O4)(C)C	ORPHDWFMIUUKJM-MCDHERAVSA-N
DG63809	"3',4'-Ethylendithio-avarone"	6712611	"NCI60_036115; 3',4'-Ethylendithio-avarone; CHEMBL2003484; NSC700504; NSC-700504"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700504	.	.	.	.	404.6	C23H32O2S2	84.7	724	5.8	27	0	4	2	"InChI=1S/C23H32O2S2/c1-14-6-5-7-18-22(14,3)9-8-15(2)23(18,4)13-16-12-17(24)20-21(19(16)25)27-11-10-26-20/h6,12,15,18,20-21H,5,7-11,13H2,1-4H3/t15-,18+,20 ,21 ,22+,23+/m0/s1"	C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=CC(=O)C4C(C3=O)SCCS4)CCC=C2C)C	AXFPIUJESBLGJQ-LZMUAGCCSA-N
DG63810	"8H-5,3-dioxolo[4,5-h][2]benzoxepin, 9,11-epoxymethano-9-(3,4,5-trimethoxyphenyl)-"	6712626	"NSC701561; CHEMBL1985959; NSC-701561; NCI60_036422; 8H-5,3-dioxolo[4,5-h][2]benzoxepin, 9,11-epoxymethano-9-(3,4,5-trimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701561	.	.	.	.	398.4	C22H22O7	64.599	616	2.3	29	0	7	4	"InChI=1S/C22H22O7/c1-23-18-4-11(5-19(24-2)21(18)25-3)22-14-7-17-16(27-10-28-17)6-12(14)20-13(8-29-22)15(22)9-26-20/h4-7,13,15,20H,8-10H2,1-3H3/t13-,15-,20-,22-/m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@]23[C@H]4CO[C@H]([C@H]4CO2)C5=CC6=C(C=C35)OCO6	XDKZFFURXVOVOH-QPHVIBCCSA-N
DG63811	"(1R,2R,5R,9R,10S,13R)-13-hydroxy-5,9,13-trimethyl-3,14,15-trioxatetracyclo[8.5.0.01,6.02,12]pentadecan-4-one"	6712631	NSC702214; CHEMBL2006544; NSC-702214; NCI60_036617	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702214	.	.	.	.	282.33	C15H22O5	65	465	2.1	20	1	5	0	"InChI=1S/C15H22O5/c1-7-4-5-9-8(2)13(16)18-12-11-6-10(7)15(9,12)20-19-14(11,3)17/h7-12,17H,4-6H2,1-3H3/t7-,8-,9 ,10+,11 ,12-,14-,15+/m1/s1"	C[C@@H]1CCC2[C@H](C(=O)O[C@H]3[C@@]24[C@H]1CC3[C@](OO4)(C)O)C	DYABNPFXBUUVRL-WHTANUSXSA-N
DG63812	"(alphaS,5S)-alpha-amino-3-bromo-4,5-dihydro-5-isoxazole acetic acid"	6712634	"CHEMBL1971775; SCHEMBL10627545; NSC702655; NSC702656; NSC-702655; NSC-702656; NCI60_036723; (alphaS,5s)-alpha-amino-3-bromo-4,5-dihydroisoxazol-5-acetic acid; (alphaS,5S)-alpha-amino-3-bromo-4,5dihydro-5-isoxazole acetic acid; (alphaS,5S)-alpha-amino-3-bromo-4,5-dihydro-5-isoxazole acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702655	.	.	.	.	223.02	C5H7BrN2O3	84.9	206	-2.6	11	2	5	2	"InChI=1S/C5H7BrN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)/t2-,4-/m0/s1"	C1[C@H](ON=C1Br)[C@@H](C(=O)O)N	LDDHTAJMMDSEME-OKKQSCSOSA-N
DG63813	Strychnopentamine	6712640	Strychnopentamine; CHEMBL1979186; C35H43N5O; CHEBI:141956; NSC703770; NSC-703770; NCI60_037024	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703770	.	.	.	.	549.7	C35H43N5O	61.5	961	5.4	41	3	4	4	"InChI=1S/C35H43N5O/c1-4-21-20-40-17-14-26-24-11-12-31(41)32(28-10-7-15-38(28)2)35(24)37-34(26)30(40)19-22(21)18-29-33-25(13-16-39(29)3)23-8-5-6-9-27(23)36-33/h4-6,8-9,11-12,21-22,28-30,36-37,41H,1,7,10,13-20H2,2-3H3/t21-,22-,28+,29-,30-/m0/s1"	CN1CCC[C@@H]1C2=C(C=CC3=C2NC4=C3CCN5[C@H]4C[C@@H]([C@H](C5)C=C)C[C@H]6C7=C(CCN6C)C8=CC=CC=C8N7)O	PHLJPJICTIGOKC-XKYMZAEISA-N
DG63814	Isostrychnopentamine A	6712642	Isostrychnopentamine A; CHEMBL1213395; CHEBI:141915; NSC703772; NSC-703772; NCI60_037026; NCI60_040514	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703772	.	.	.	.	549.7	C35H43N5O	61.5	961	5.4	41	3	4	4	"InChI=1S/C35H43N5O/c1-4-21-20-40-17-14-26-24-11-12-31(41)32(28-10-7-15-38(28)2)35(24)37-34(26)30(40)19-22(21)18-29-33-25(13-16-39(29)3)23-8-5-6-9-27(23)36-33/h4-6,8-9,11-12,21-22,28-30,36-37,41H,1,7,10,13-20H2,2-3H3/t21-,22-,28-,29-,30-/m0/s1"	CN1CCC[C@H]1C2=C(C=CC3=C2NC4=C3CCN5[C@H]4C[C@@H]([C@H](C5)C=C)C[C@H]6C7=C(CCN6C)C8=CC=CC=C8N7)O	PHLJPJICTIGOKC-RZVVXSKCSA-N
DG63815	NSC704065	6712644	"(1S,4S,5R,9R,12R,13R)-1,5,9-trimethyl-10-[2-[[(1S,4S,5R,9R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane; NSC704065; CHEMBL2448516; NSC-704065; NCI60_037113"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704065	.	.	.	.	562.7	C32H50O8	73.8	931	5.8	40	0	8	5	"InChI=1S/C32H50O8/c1-17-7-9-23-19(3)25(35-27-31(23)21(17)11-13-29(5,37-27)39-31)33-15-16-34-26-20(4)24-10-8-18(2)22-12-14-30(6)38-28(36-26)32(22,24)40-30/h17-28H,7-16H2,1-6H3/t17-,18-,19-,20-,21+,22+,23 ,24 ,25 ,26 ,27-,28-,29-,30-,31-,32-/m1/s1"	C[C@@H]1CCC2[C@H](C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(O4)C)OCCOC5[C@@H](C6CC[C@H]([C@H]7[C@]68[C@H](O5)O[C@](O8)(CC7)C)C)C)C	ITARMHUQBFBLID-HNKUJWQESA-N
DG63816	"[4,7-dimethoxy-1-methyl-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazol-2-yl]methyl acetate"	6712700	NCI60_038001; CHEMBL1994439; NSC706838; NSC-706838	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706838	.	.	.	.	479.5	C24H29N7O4	111	739	1.9	35	1	9	7	"InChI=1S/C24H29N7O4/c1-14(32)35-13-19-26-20-21(30(19)3)17(33-4)12-15(22(20)34-5)23-25-16-6-7-18(27-24(16)28-23)31-10-8-29(2)9-11-31/h6-7,12H,8-11,13H2,1-5H3,(H,25,27,28)"	CC(=O)OCC1=NC2=C(C(=CC(=C2N1C)OC)C3=NC4=C(N3)C=CC(=N4)N5CCN(CC5)C)OC	BKDOSMQFNDTFQK-UHFFFAOYSA-N
DG63817	NSC707492	6712734	"(4R,4aS,7S,7aR,12bS)-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol;2,3-dihydroxybutanedioic acid; NCI60_038191; CHEMBL1984477; NSC707492; NSC-707492"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707492	.	.	.	.	467.5	C22H29NO10	177	649	.	33	6	11	4	"InChI=1S/C18H23NO4.C4H6O6/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10;5-1(3(7)8)2(6)4(9)10/h3-4,11,13,16,20-21H,5-9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-,13+,16-,17-,18+;/m0./s1"	CN1CC[C@]23[C@@H]4[C@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O)O.C(C(C(=O)O)O)(C(=O)O)O	VGMFWEOFABLKOH-GQLHWMNBSA-N
DG63818	Silatecan	6712744	"Silatecan; AR-67; 220913-32-6; DB-67; AR67; DB 67; Silatecan; UNII-3YEA04NV6H; 3YEA04NV6H; DB67; DB 67; NSC-708298; (S)-11-(tert-Butyldimethylsilyl)-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; (20S)-7-t-Butyldimethylsilyl-10-hydroxycamptothecin; NCI60_038363; AR 67 cpd; AR-67 cpd; C26H30N2O5Si; CHEMBL412309; GTPL8919; SCHEMBL1266162; DTXSID00176592; AR 67; 7555AD; NSC708298; ZINC170020689; compound 14 [PMID:11052802]; DB12384; NSC 708298; Z3398; Q27074492; (19S)-10-[tert-butyl(dimethyl)silyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione; 1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 11-((1,1-dimethylethyl)dimethylsilyl)-4-ethyl-4,9-dihydroxy-, (4S)-; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)dione, 11-[(1,1-dimethylethyl)dimethylsilyl]-4-ethyl-4,9-dihydroxy-, (4S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708298	.	.	.	.	478.6	C26H30N2O5Si	100	982	.	34	2	6	3	"InChI=1S/C26H30N2O5Si/c1-7-26(32)18-11-20-21-16(12-28(20)23(30)17(18)13-33-24(26)31)22(34(5,6)25(2,3)4)15-10-14(29)8-9-19(15)27-21/h8-11,29,32H,7,12-13H2,1-6H3/t26-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=CC(=C5)O)N=C4C3=C2)[Si](C)(C)C(C)(C)C)O	XUSKJHCMMWAAHV-SANMLTNESA-N
DG63819	"tert-butyl (1S,9R)-4-amino-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene-16-carboxylate"	6712746	NCI60_038479; CHEMBL1988248; NSC708852; NSC-708852	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708852	.	.	.	.	336.4	C21H24N2O2	55.6	543	3.5	25	1	3	2	"InChI=1S/C21H24N2O2/c1-20(2,3)25-19(24)23-18-11-13-9-10-14(22)12-17(13)21(23,4)16-8-6-5-7-15(16)18/h5-10,12,18H,11,22H2,1-4H3/t18-,21-/m1/s1"	C[C@]12C3=CC=CC=C3[C@H](N1C(=O)OC(C)(C)C)CC4=C2C=C(C=C4)N	PTDWCQNGXMGUHR-WIYYLYMNSA-N
DG63820	NSC708962	6712750	"2-[(2R,6S,14S)-5-(2-aminoethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]pentan-2-ol; NCI60_038503; CHEMBL2005225; NSC708962; NSC-708962"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708962	.	.	.	.	454.6	C27H38N2O4	77.2	822	2.5	33	2	6	7	"InChI=1S/C27H38N2O4/c1-5-8-24(2,30)19-16-25-9-10-27(19,32-4)23-26(25)11-13-29(14-12-28)20(25)15-17-6-7-18(31-3)22(33-23)21(17)26/h6-7,9-10,19-20,23,30H,5,8,11-16,28H2,1-4H3/t19 ,20-,23-,24 ,25 ,26+,27 /m0/s1"	CCCC(C)(C1CC23C=CC1([C@@H]4[C@]25CCN([C@H]3CC6=C5C(=C(C=C6)OC)O4)CCN)OC)O	FPDPXKLLTMUGLJ-FQVGRBKKSA-N
DG63821	"3-(2-Bromoacridin-9-yl)-5-methyl-1,3,5-thiadiazinane-2-thione"	6712756	NCI60_038577; CHEMBL1990933; NSC709319; NSC-709319	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709319	.	.	.	.	404.4	C17H14BrN3S2	76.8	463	5.1	23	0	4	1	"InChI=1S/C17H14BrN3S2/c1-20-9-21(17(22)23-10-20)16-12-4-2-3-5-14(12)19-15-7-6-11(18)8-13(15)16/h2-8H,9-10H2,1H3"	CN1CN(C(=S)SC1)C2=C3C=C(C=CC3=NC4=CC=CC=C42)Br	RJFLSKQOHAYUJH-UHFFFAOYSA-N
DG63822	"3,7-Diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-8-one"	6712761	NCI60_038779; CHEMBL1991861; NSC710116; NSC-710116	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710116	.	.	.	.	238.28	C15H14N2O	32.299	356	2	18	1	2	0	"InChI=1S/C15H14N2O/c18-15-12-7-2-5-10-4-1-6-11(13(10)12)14-16-8-3-9-17(14)15/h1-2,4-7,14,16H,3,8-9H2"	C1CNC2C3=CC=CC4=C3C(=CC=C4)C(=O)N2C1	GCAPKUKTUYGOSO-UHFFFAOYSA-N
DG63823	"5-(4-Methylpiperazino)-2-[2-(acetoxymethyl)-4,7-dimethoxy-1H-benzimidazole-5-yl]-3H-imidazo[4,5-b]pyridine"	6712765	"NCI60_038809; CHEMBL1980007; NSC710287; NSC-710287; 5-(4-Methylpiperazino)-2-[2-(acetoxymethyl)-4,7-dimethoxy-1H-benzimidazole-5-yl]-3H-imidazo[4,5-b]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710287	.	.	.	.	465.5	C23H27N7O4	122	709	1.9	34	2	9	7	"InChI=1S/C23H27N7O4/c1-13(31)34-12-17-25-19-16(32-3)11-14(21(33-4)20(19)26-17)22-24-15-5-6-18(27-23(15)28-22)30-9-7-29(2)8-10-30/h5-6,11H,7-10,12H2,1-4H3,(H,25,26)(H,24,27,28)"	CC(=O)OCC1=NC2=C(C=C(C(=C2N1)OC)C3=NC4=C(N3)C=CC(=N4)N5CCN(CC5)C)OC	ULDFBGYGONQCDE-UHFFFAOYSA-N
DG63824	NSC710485	6712769	"Methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]-4-methylsulfanylbutanoate; NCI60_038887; CHEMBL1970609; NSC710485; NSC-710485"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710485	.	.	.	.	578.1	C25H28ClN5O5S2	175	756	3.7	38	2	9	15	"InChI=1S/C25H28ClN5O5S2/c1-35-24(34)20(12-13-37-2)28-22(32)14-27-23(33)16-38-25-30-29-21(31(25)18-6-4-3-5-7-18)15-36-19-10-8-17(26)9-11-19/h3-11,20H,12-16H2,1-2H3,(H,27,33)(H,28,32)"	COC(=O)C(CCSC)NC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl	BAAZDHYFOMCJRE-UHFFFAOYSA-N
DG63825	"Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenylpropanoate"	6712770	NCI60_038888; CHEMBL2006652; NSC710486; NSC-710486	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710486	.	.	.	.	537	C27H25ClN4O4S	121	715	5.3	37	1	7	12	"InChI=1S/C27H25ClN4O4S/c1-35-26(34)23(16-19-8-4-2-5-9-19)29-25(33)18-37-27-31-30-24(32(27)21-10-6-3-7-11-21)17-36-22-14-12-20(28)13-15-22/h2-15,23H,16-18H2,1H3,(H,29,33)"	COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)Cl	MLANANLYALZKPQ-UHFFFAOYSA-N
DG63826	"2,2'-Bi[1-hydroxy-3-methyl-6-methoxy-9H-carbazole]"	6712792	"NCI60_039445; CHEMBL8181; NSC713162; NSC-713162; 2,2'-Bi[1-hydroxy-3-methyl-6-methoxy-9H-carbazole]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713162	.	.	.	.	452.5	C28H24N2O4	90.5	677	6.4	34	4	4	3	"InChI=1S/C28H24N2O4/c1-13-9-19-17-11-15(33-3)5-7-21(17)29-25(19)27(31)23(13)24-14(2)10-20-18-12-16(34-4)6-8-22(18)30-26(20)28(24)32/h5-12,29-32H,1-4H3"	CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)C5=C(N4)C=CC(=C5)OC)O)O)NC6=C2C=C(C=C6)OC	LOTTYLIBOWVVMM-UHFFFAOYSA-N
DG63827	NSC715092	6712813	"(3R,5R,5aS,7aalpha,11balpha)-3,5-Epidioxy-5a,6alpha-epoxy-3beta-isopropyl-8,11abeta-dimethyltetradecahydronaphtho[2,1-c]oxepin-8alpha-carboxylic acid methyl ester; NSC715092; CHEMBL1995316; NSC-715092; NCI60_039759; (3R,5R,5aS,7aalpha,11balpha)-3,5-Epidioxy-5a,6alpha-epoxy-3beta-isopropyl-8,11abeta-dimethyltetradecahydronaphtho[2,1-c]oxepin-8alpha-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715092	.	.	.	.	380.5	C21H32O6	66.5	665	4	27	0	6	3	"InChI=1S/C21H32O6/c1-12(2)20-10-7-13-18(3)8-6-9-19(4,16(22)23-5)14(18)11-15-21(13,24-15)17(25-20)26-27-20/h12-15,17H,6-11H2,1-5H3/t13-,14-,15-,17-,18-,19-,20-,21+/m1/s1"	CC(C)[C@]12CC[C@@H]3[C@]4(CCC[C@@]([C@@H]4C[C@@H]5[C@]3(O5)[C@H](O1)OO2)(C)C(=O)OC)C	MZRIDUZEWYOSMJ-FBKCGWEPSA-N
DG63828	phenyl 4-(1-hydroxypropan-2-yl)-2-(3-phenylmethoxyprop-1-ynyl)-2H-quinoline-1-carboxylate	6712814	NCI60_039822; CHEMBL1995432; NSC715327; NSC-715327	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715327	.	.	.	.	453.5	C29H27NO4	59	753	4.7	34	1	4	7	"InChI=1S/C29H27NO4/c1-22(20-31)27-19-24(13-10-18-33-21-23-11-4-2-5-12-23)30(28-17-9-8-16-26(27)28)29(32)34-25-14-6-3-7-15-25/h2-9,11-12,14-17,19,22,24,31H,18,20-21H2,1H3"	CC(CO)C1=CC(N(C2=CC=CC=C21)C(=O)OC3=CC=CC=C3)C#CCOCC4=CC=CC=C4	NCJYCHFVSNVILT-UHFFFAOYSA-N
DG63829	Boc-DL-Tyr(Unk)-DL-Ala-DL-Phe-Gly-NH2	6712835	NCI60_040320; CHEMBL1982647; NSC716688; NSC-716688	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716688	.	.	.	.	641.8	C33H49N6O7+	178	1010	2.3	46	5	7	18	"InChI=1S/C33H48N6O7/c1-22(29(41)37-26(30(42)35-21-28(34)40)19-23-11-9-8-10-12-23)36-31(43)27(38-32(44)46-33(2,3)4)20-24-13-15-25(16-14-24)45-18-17-39(5,6)7/h8-16,22,26-27H,17-21H2,1-7H3,(H5-,34,35,36,37,38,40,41,42,43,44)/p+1"	CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)N)NC(=O)C(CC2=CC=C(C=C2)OCC[N+](C)(C)C)NC(=O)OC(C)(C)C	ZLDPJFBIUFFIKL-UHFFFAOYSA-O
DG63830	"2-[4-[[2-(2,4-dinitrophenyl)hydrazinyl]diazenyl]phenyl]-1H-benzimidazole"	6712853	NCI60_040435; CHEMBL1964611; NSC716951; NSC-716951	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716951	.	.	.	.	418.4	C19H14N8O4	169	660	5.8	31	3	9	5	"InChI=1S/C19H14N8O4/c28-26(29)14-9-10-17(18(11-14)27(30)31)23-25-24-22-13-7-5-12(6-8-13)19-20-15-3-1-2-4-16(15)21-19/h1-11H,(H,20,21)(H,22,25)(H,23,24)"	C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=NNNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]	NDXHIBJFEHJULU-UHFFFAOYSA-N
DG63831	1-O-Octadecyl-[(2.fwdarw.5')-3'-C-ethinyl-cytidylyl]-rac-glycerylyl-(3.fwdarw.5')-5-fluoro-2'-deoxyuridine	6712908	NCI60_041054; CHEMBL1967588; NSC719661; NSC722307; NSC-719661; NSC-722307; 1-O-Octadecyl-(2->5')-(3'-C-ethinylcytidylyl)-(3->5')-(5-flu oro-2'-desoxyuridylyl)-L-glycerol; 1-O-Octadecyl-[(2.fwdarw.5')-3'-C-ethinyl-cytidylyl]-rac-glycerylyl-(3.fwdarw.5')-5-fluoro-2'-deoxyuridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719661	.	.	.	.	981.9	C41H66FN5O17P2	308	1850	2.6	66	7	18	33	"InChI=1S/C41H66FN5O17P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-58-25-29(26-59-65(54,55)60-27-32-31(48)23-35(62-32)47-24-30(42)37(50)45-40(47)52)64-66(56,57)61-28-33-41(53,4-2)36(49)38(63-33)46-21-20-34(43)44-39(46)51/h2,20-21,24,29,31-33,35-36,38,48-49,53H,3,5-19,22-23,25-28H2,1H3,(H,54,55)(H,56,57)(H2,43,44,51)(H,45,50,52)"	CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)(C#C)O	CBSVWOFEDIRIAW-UHFFFAOYSA-N
DG63832	NSC719736	6712912	"methyl (2S)-2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate; NSC719736; CHEMBL1968097; NSC-719736; NCI60_041084"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719736	.	.	.	.	656.6	C32H38BrN3O7	132	1120	4	43	4	9	8	"InChI=1S/C32H38BrN3O7/c1-5-30-11-6-13-36-14-12-31(26(30)36)20-16-21(33)24(42-3)17-23(20)35(2)27(31)32(41,28(30)39)29(40)34-22(25(38)43-4)15-18-7-9-19(37)10-8-18/h6-11,16-17,22,26-28,37,39,41H,5,12-15H2,1-4H3,(H,34,40)/t22-,26-,27+,28+,30+,31+,32-/m0/s1"	CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2O)(C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)OC)O)N(C6=CC(=C(C=C46)Br)OC)C	XRIKLRARWDXCAQ-QPHAFLMPSA-N
DG63833	NSC719737	6712913	"methyl (2S,3S)-2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-methylpentanoate; NSC719737; CHEMBL1996653; NSC-719737; NCI60_041085"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719737	.	.	.	.	606.5	C29H40BrN3O6	112	1010	4.1	39	3	8	8	"InChI=1S/C29H40BrN3O6/c1-7-16(3)21(22(34)39-6)31-26(36)29(37)24-28(17-14-18(30)20(38-5)15-19(17)32(24)4)11-13-33-12-9-10-27(8-2,23(28)33)25(29)35/h9-10,14-16,21,23-25,35,37H,7-8,11-13H2,1-6H3,(H,31,36)/t16-,21-,23-,24+,25+,27+,28+,29-/m0/s1"	CC[C@H](C)[C@@H](C(=O)OC)NC(=O)[C@@]1([C@H]2[C@]3(CCN4[C@H]3[C@]([C@H]1O)(C=CC4)CC)C5=CC(=C(C=C5N2C)OC)Br)O	IJDDLJXMDLFBQS-NDXOVNRRSA-N
DG63834	"1,3-benzothiazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene"	6712917	NCI60_041143; CHEMBL2003312; NSC720196; NSC-720196	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720196	.	.	.	.	284.34	C14H12N4OS	89.3	486	4	20	1	6	2	"InChI=1S/C14H12N4OS/c1-10(12-7-4-5-9-18(12)19)16-17-14-15-11-6-2-3-8-13(11)20-14/h2-9,19H,1H3/b12-10+,17-16 "	C/C(=C\\1/C=CC=CN1O)/N=NC2=NC3=CC=CC=C3S2	MAUSMKVTDCHTQS-NPYZNLJBSA-N
DG63835	"1,3-benzoxazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene"	6712918	NCI60_041145; CHEMBL215178; NSC720198; NSC-720198	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720198	.	.	.	.	268.27	C14H12N4O2	74.2	484	3.4	20	1	6	2	"InChI=1S/C14H12N4O2/c1-10(12-7-4-5-9-18(12)19)16-17-14-15-11-6-2-3-8-13(11)20-14/h2-9,19H,1H3/b12-10+,17-16 "	C/C(=C\\1/C=CC=CN1O)/N=NC2=NC3=CC=CC=C3O2	YEMUSZWPPSMZQB-NPYZNLJBSA-N
DG63836	Silver methylsulfonate	6712944	"Silver methylsulfonate; Methanesulfonic acid, silver salt; Silver methanesulfonate, silver salt; Silver methanesulfonate (Ag(CH2SO3)); NCI60_041828; SCHEMBL564772; Silver methanesulfonate, 98%; CHEMBL1996983; CAA38652; NSC83223; NSC-83223; WLN: WS1&O &-AG- &9/5; CS-0035248"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83223	.	.	.	.	203.98	CH4AgO3S	62.8	92.6	.	6	1	3	0	"InChI=1S/CH4O3S.Ag/c1-5(2,3)4;/h1H3,(H,2,3,4);"	CS(=O)(=O)O.[Ag]	GTBQRHOYAUGRPV-UHFFFAOYSA-N
DG63837	"Benzoic acid, silver(1+) salt"	6712949	"Benzoic acid, silver(1+) salt; Silver benzoate, AgOBz; Silver(1+) benzoate; Silver benzoate (AgOBz), AgOBz; NCI60_042175; SCHEMBL27264; CHEMBL2001454; NSC88938; NSC97388; NSC-88938; NSC-97388; FT-0696272"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	97388	.	.	.	.	229.99	C7H6AgO2	37.3	104	.	10	1	2	1	"InChI=1S/C7H6O2.Ag/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);"	C1=CC=C(C=C1)C(=O)O.[Ag]	GQCYXEOBZQXHPO-UHFFFAOYSA-N
DG63838	N'-[(1E)-(3-fluorophenyl)methylene]isonicotinohydrazide	6791533	NSC624738; CHEMBL351343; ZINC31820392; AKOS001025006; NSC-624738; 3-Fluorobenzaldehydeisonicotinoylhydrazone; SR-01000080974; SR-01000080974-1; N'-[(1E)-(3-fluorophenyl)methylene]isonicotinohydrazide; N-[(E)-(3-fluorophenyl)methyleneamino]pyridine-4-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624738	.	.	.	.	243.24	C13H10FN3O	54.4	303	1.9	18	1	4	3	"InChI=1S/C13H10FN3O/c14-12-3-1-2-10(8-12)9-16-17-13(18)11-4-6-15-7-5-11/h1-9H,(H,17,18)/b16-9+"	C1=CC(=CC(=C1)F)/C=N/NC(=O)C2=CC=NC=C2	IRBHNKPBXBJIAJ-CXUHLZMHSA-N
DG63839	Ispinesib	6851740	"Ispinesib; 336113-53-2; Ispinesib (SB-715992); SB-715992; UNII-BKT5F9C2NI; SB 715992; Ispinesib mesilate; BKT5F9C2NI; (R)-N-(3-aminopropyl)-N-(1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl)-4-methylbenzamide; SB715992; CHEMBL2347651; Ispinesib [INN]; N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide; CK 0238273; G7X; N-(3-Aminopropyl)-N-[(1R)-1-[7-chloro-3,4-dihydro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-2-methylpropyl]-4-methylbenzamide; Ispinesib; SB-715992; Ispinesib - SB-715992; CHEMBL228814; SCHEMBL3582165; CHEBI:94692; DTXSID20187307; BCPP000200; AOB87364; BCP02450; EX-A2078; BDBM50382559; BDBM50431891; NSC755386; s1452; ZINC11680799; AKOS025147361; BCP9000797; CCG-264892; CS-0891; DB06188; NSC-755386; NCGC00263174-01; AC-32851; AS-56089; HY-50759; Ispinesib,SB-715992, CK0238273; SW219747-1; C74727; J-019272; J-521615; BRD-K64881305-001-01-1; Q27166496; (R)-N-(3-amino-propyl)-N-[1-(3-benzyl-7-chloro-4-oxo-3,4-dihydro-quinazolin-2-yl)-2-methyl-propyl]-4-methyl-benzamide; (R)-N-(3-amino-propyl)-N-[1-(3-benzyl-7-chloro-4-oxo-3,4-dihydro-quinazolin-2-yl)-2-methyl-propyl]4-methyl-benzamide; Benzamide, N-(3-aminopropyl)-N-((1R)-1-(7-chloro-3,4-dihydro-4-oxo-3-(phenylmethyl)-2-quinazolinyl)-2-methylpropyl)-4-methyl-; n-(3-aminopropyl)-n-[(1r)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755386	.	.	.	.	517.1	C30H33ClN4O2	79	803	5.3	37	1	4	9	"InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1"	CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C	QJZRFPJCWMNVAV-HHHXNRCGSA-N
DG63840	"N-{(1E)-[1-(4-chlorobenzyl)-1H-indol-3-yl]methylene}-4H-1,2,4-triazol-4-amine"	6858424	"N-{(1E)-[1-(4-chlorobenzyl)-1H-indol-3-yl]methylene}-4H-1,2,4-triazol-4-amine; SMR000020826; NSC717530; MLS000085697; MLS002589537; CHEMBL2004794; STK365136; AKOS005430362; MCULE-7992715851; NSC-717530; SR-01000103713; SR-01000103713-1; N-{(E)-[1-(4-chlorobenzyl)-1H-indol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717530	.	.	.	.	335.8	C18H14ClN5	48	431	3.5	24	0	3	4	"InChI=1S/C18H14ClN5/c19-16-7-5-14(6-8-16)10-23-11-15(9-22-24-12-20-21-13-24)17-3-1-2-4-18(17)23/h1-9,11-13H,10H2/b22-9+"	C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)/C=N/N4C=NN=C4	OSYZHUXDDUDBGX-LSFURLLWSA-N
DG63841	"3,4,5-Trimethoxy-N'-(3-nitrobenzylidene)benzohydrazide"	6861410	"NSC326420; STK730473; ZINC31769004; AKOS001701067; MCULE-1064137718; NSC-326420; 3,4,5-Trimethoxy-N'-(3-nitrobenzylidene)benzohydrazide; 3,4,5-trimethoxy-N'-[(E)-(3-nitrophenyl)methylidene]benzohydrazide; Benzoic acid,4,5-trimethoxy, [(3-nitrophenyl)methylene]hydrazide; Benzoic acid,4,5-trimethoxy-, [(3-nitrophenyl)methylene]hydrazide; 3,4,5-trimethoxy-N'~1~-[(E)-1-(3-nitrophenyl)methylidene]benzohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	326420	.	.	.	.	359.3	C17H17N3O6	115	495	2.6	26	1	7	6	"InChI=1S/C17H17N3O6/c1-24-14-8-12(9-15(25-2)16(14)26-3)17(21)19-18-10-11-5-4-6-13(7-11)20(22)23/h4-10H,1-3H3,(H,19,21)/b18-10+"	COC1=CC(=CC(=C1OC)OC)C(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]	IRWQJZALPNFBKW-VCHYOVAHSA-N
DG63842	3-((4-(Dimethylamino)benzylidene)amino)-2-methyl-4(3H)-quinazolinone	6861487	"NSC685850; MLS000055609; CHEMBL1999418; STK710498; AKOS001036719; NSC-685850; SMR000060137; 3-[4-(Dimethylamino)benzylideneamino]-2-methylquinazolin-4(3H)-one; 3-((4-(Dimethylamino)benzylidene)amino)-2-methyl-4(3H)-quinazolinone; 3-[(E)-(4-dimethylaminophenyl)methyleneamino]-2-methyl-quinazolin-4-one; 3-(((E)-[4-(Dimethylamino)phenyl]methylidene)amino)-2-methyl-4(3H)-quinazolinone #; 3-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-2-methylquinazolin-4(3H)-one; Quinazolin-4(1H)-one, 2,3-dihydro-2-methyl-3-(4-dimethylaminobenzylidenamino)-; 1236769-25-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685850	.	.	.	.	306.4	C18H18N4O	48.3	491	2.6	23	0	4	3	"InChI=1S/C18H18N4O/c1-13-20-17-7-5-4-6-16(17)18(23)22(13)19-12-14-8-10-15(11-9-14)21(2)3/h4-12H,1-3H3/b19-12+"	CC1=NC2=CC=CC=C2C(=O)N1/N=C/C3=CC=C(C=C3)N(C)C	CHPVRKFQEYCBJU-XDHOZWIPSA-N
DG63843	N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]formamide	6861592	NSC121754; ZINC31686901; NSC-121754; SR-01000032218; SR-01000032218-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121754	.	.	.	.	227.6	C8H6ClN3O3	87.3	266	1.5	15	1	4	2	"InChI=1S/C8H6ClN3O3/c9-7-2-1-6(4-10-11-5-13)3-8(7)12(14)15/h1-5H,(H,11,13)/b10-4+"	C1=CC(=C(C=C1/C=N/NC=O)[N+](=O)[O-])Cl	ZKQOFWLDKTUXRE-ONNFQVAWSA-N
DG63844	(2E)-((Aminocarbonothioyl)hydrazono)acetic acid	6864590	(2E)-((Aminocarbonothioyl)hydrazono)acetic acid; (2E)-2-(carbamothioylhydrazinylidene)acetic acid; 763901-34-4; 2-(2-Carbamothioylhydrazono)acetic acid; (E)-2-(2-carbamothioylhydrazono)acetic acid; (2E)-2-[(carbamothioylamino)imino]acetic acid; 928-74-5; NSC103752; MFCD00194073; MFCD06009416; STL194061; ZINC13513177; AKOS002252494; AKOS002352498; NSC-103752; BB 0218321; (2E)-(2-carbamothioylhydrazinylidene)ethanoic acid; F3249-0068	.	.	Investigative Drug(s)	Investigative	Small molecular drug	103752	.	.	.	.	147.16	C3H5N3O2S	120	155	0.1	9	3	4	2	"InChI=1S/C3H5N3O2S/c4-3(9)6-5-1-2(7)8/h1H,(H,7,8)(H3,4,6,9)/b5-1+"	C(=N/NC(=S)N)\\C(=O)O	LBPGMKDNBOKEEF-ORCRQEGFSA-N
DG63845	ethyl 2-[3-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]-2-methylindol-1-yl]acetate	6876386	"ethyl 2-[3-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]-2-methylindol-1-yl]acetate; 1578247-29-6; 371135-20-5; STK899704; SCHEMBL16867521; NSC803052; ZINC16682908; AKOS005607992; NSC-803052; ethyl (2-methyl-3-{(E)-[2-(naphtho[2,1-b]furan-2-ylcarbonyl)hydrazinylidene]methyl}-1H-indol-1-yl)acetate; Ethyl (E)-2-(2-methyl-3-((2-(naphtho[2,1-b]furan-2-carbonyl)hydrazono)methyl)-1H-indol-1-yl)acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803052	.	.	.	.	453.5	C27H23N3O4	85.8	773	5.7	34	1	5	7	"InChI=1S/C27H23N3O4/c1-3-33-26(31)16-30-17(2)22(20-10-6-7-11-23(20)30)15-28-29-27(32)25-14-21-19-9-5-4-8-18(19)12-13-24(21)34-25/h4-15H,3,16H2,1-2H3,(H,29,32)/b28-15+"	CCOC(=O)CN1C(=C(C2=CC=CC=C21)/C=N/NC(=O)C3=CC4=C(O3)C=CC5=CC=CC=C54)C	LRJLDVJFMBTCOG-RWPZCVJISA-N
DG63846	N'-[2-(benzyloxy)benzylidene]-2-(2-pyrimidinylsulfanyl)acetohydrazide	6877444	NSC717499; CHEMBL1968099; STK711315; AKOS001715949; MCULE-6932173107; NSC-717499; AG-205/36871048; N'-[2-(benzyloxy)benzylidene]-2-(2-pyrimidinylsulfanyl)acetohydrazide; N'-{(E)-[2-(benzyloxy)phenyl]methylidene}-2-(pyrimidin-2-ylsulfanyl)acetohydrazide; N'~1~-{(E)-1-[2-(benzyloxy)phenyl]methylidene}-2-(2-pyrimidinylsulfanyl)acetohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717499	.	.	.	.	378.4	C20H18N4O2S	102	465	3.5	27	1	6	8	"InChI=1S/C20H18N4O2S/c25-19(15-27-20-21-11-6-12-22-20)24-23-13-17-9-4-5-10-18(17)26-14-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,24,25)/b23-13+"	C1=CC=C(C=C1)COC2=CC=CC=C2/C=N/NC(=O)CSC3=NC=CC=N3	ZZCICVCTQYNJBR-YDZHTSKRSA-N
DG63847	1-benzyl-3-[(E)-2-pyridylmethyleneamino]thiourea	6892730	NSC670969; CHEMBL1765796; SCHEMBL5182156; HMS1717B12; BDBM50341552; NSC-670969; NCGC00335063-01; 2-Pyridinecarbaldehyde N-benzylthiosemicarbazone; AB01327238-02; AB01327238-03; 1-benzyl-3-[(E)-2-pyridylmethyleneamino]thiourea; SR-01000057115; SR-01000057115-1; (E)-N-Benzyl-2-(pyridin-2-ylmethylene)hydrazinecarbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670969	.	.	.	.	270.35	C14H14N4S	81.4	300	2.4	19	2	3	4	"InChI=1S/C14H14N4S/c19-14(16-10-12-6-2-1-3-7-12)18-17-11-13-8-4-5-9-15-13/h1-9,11H,10H2,(H2,16,18,19)/b17-11+"	C1=CC=C(C=C1)CNC(=S)N/N=C/C2=CC=CC=N2	QQVHGUFLVAECFU-GZTJUZNOSA-N
DG63848	N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide	6899201	NSC746498; NSC-746498	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746498	.	.	.	.	309.32	C17H15N3O3	86.7	443	2.6	23	3	4	4	"InChI=1S/C17H15N3O3/c1-23-15-6-5-11(9-14(15)21)10-19-20-17(22)13-4-2-3-12-7-8-18-16(12)13/h2-10,18,21H,1H3,(H,20,22)/b19-10+"	COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC=CC3=C2NC=C3)O	HFIKRHZIORYZHL-VXLYETTFSA-N
DG63849	Fostriecin	6913994	"fostriecin; Phosphotrienin; UNII-ZO1648L551; 87810-56-8; ZO1648L551; NSC-339638; [(1E,3R,4R,6R,7Z,9Z,11E)-3,6,13-trihydroxy-3-methyl-1-[(2R)-6-oxo-2,3-dihydropyran-2-yl]trideca-1,7,9,11-tetraen-4-yl] dihydrogen phosphate; Fostriecina; Fostriecine; Fostriecinum; CL 1565A; Pyranone phosphate; Fostriecin [INN]; Fostriecine [French]; Fostriecinum [Latin]; NSC339638; Antibiotic CI 920; Fostriecina [Spanish]; Antibiotic CL 1565A; CI 920; [(1R,3R,4Z,6Z,8E)-3,10-dihydroxy-1-[(E,1R)-1-hydroxy-1-methyl-3-[(2R)-6-oxo-2,3-dihydropyran-2-yl]allyl]deca-4,6,8-trienyl] dihydrogen phosphate; 87860-39-7; PD 110,161; CHEMBL17377; SCHEMBL10030539; DTXSID00868985; ZINC5707379; BDBM50110690; Q27295794; (6r)-5,6-dihydro-6-[(1e,3r,4r,6r,7z,9z,11e)-3,6,13-trihydroxy-3-methyl-4-(phosphonooxy)-1,7,9,11-tridecatetraenyl]-2h-pyran-2-one; 2H-Pyran-2-one, 5,6-dihydro-6-(3,6,13-trihydroxy-3-methyl-4-(phosphonooxy)-1,7,9,11-tridecatetraenyl)-; 2H-Pyran-2-one, 5,6-dihydro-6-[(1E,3R,4R,6R,7Z,9Z,11E)-3,6,13-trihydroxy-3-methyl-4-(phosphonooxy)-1,7,9,11-tridecatetraenyl]-, (6R)-; Phosphoric acid mono-{3,10-dihydroxy-1-[1-hydroxy-1-methyl-3-(6-oxo-3,6-dihydro-2H-pyran-2-yl)-allyl]-deca-4,6,8-trienyl} ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339638	.	.	.	.	430.4	C19H27O9P	154	719	-0.5	29	5	9	11	"InChI=1S/C19H27O9P/c1-19(23,12-11-16-9-7-10-18(22)27-16)17(28-29(24,25)26)14-15(21)8-5-3-2-4-6-13-20/h2-8,10-12,15-17,20-21,23H,9,13-14H2,1H3,(H2,24,25,26)/b3-2-,6-4+,8-5-,12-11+/t15-,16+,17+,19+/m0/s1"	C[C@@](/C=C/[C@H]1CC=CC(=O)O1)([C@@H](C[C@H](/C=C\\C=C/C=C/CO)O)OP(=O)(O)O)O	ZMQRJWIYMXZORG-DSWNLJKISA-N
DG63850	Daporinad	6914657	"Daporinad; 658084-64-1; FK866; FK-866; APO-866; APO866; FK 866; APO 866; UNII-V71TF6V9M7; Daporinad [INN]; (E)-N-(4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL)-3-(PYRIDIN-3-YL)ACRYLAMIDE; 201034-75-5; (E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide; FK866 hydrochloride hydrate; V71TF6V9M7; N-(4-(1-benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)acrylamide; FK-866 HCl; FK866 (APO866); (2E)-N-(4-(1-Benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)prop-2-enamide; (E)-N-[4-(1-Benzoyl-piperidin-4-yl)-butyl]-3-pyridin-3-yl-acrylamide; (2e)-N-{4-[1-(Benzenecarbonyl)piperidin-4-Yl]butyl}-3-(Pyridin-3-Yl)prop-2-Enamide; (2E)-N-[4-(1-Benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide; 2gvj; DGB; 4o1b; 4o1d; Daporinad (APO866); CHEMBL566757; Daporinad(FK866,APO866); GTPL7745; BDBM81395; CHEBI:94671; EX-A430; 2g97; CHEBI:187413; Daporinad (FK866, APO866); BCP01909; ZINC3828115; 2411AH; FD5006; MFCD10565943; NSC760442; NSC777194; s2799; AKOS015994576; BCP9000687; CCG-208012; DB12731; ES-0047; NSC 751605; NSC-760442; NSC-777194; NCGC00182868-04; QC-11600; A850039; A930135; K 22.175; BRD-K58550667-001-01-2; Q27076984; (E)-N-[4-[1-(benzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide; n-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2e-propenamide; FK 866;(E)-N-(4-(1-benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)acrylamide; Nicotinamide Phosphoribosyltransferase Inhibitor, FK866 - CAS 658084-64-1; 1198425-96-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760442	.	.	.	.	391.5	C24H29N3O2	62.3	534	3.7	29	1	3	8	"InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+"	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N
DG63851	NSC759155	6916127	"(7S,9S)-7-[[(4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; NSC-759155; SCHEMBL1898193; CHEBI:91746; HMS2093N11; Pharmakon1600-01505483; (7S,9S)-7-[(4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; NSC759155; CCG-213465; SBI-0206795.P001; AB01563319_01; SR-05000001645; SR-05000001645-1; BRD-A52530684-001-01-1; BRD-A52530684-003-01-7; Q27163556; (7S,9S)-7-[(4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; (7S,9S)-7-[[(4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759155	.	.	.	.	543.5	C27H29NO11	206	977	1.3	39	6	12	5	"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17 ,22+,27-/m0/s1"	C[C@H]1[C@H]([C@H](CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-BLSUDJMZSA-N
DG63852	Anthracenedione diacetate	6917684	"NSC-287513; CI 881; CI-881; NSC 287513; 70711-40-9; HAQ; Anthracenedione diacetate; DTXSID80990970; NSC287513; 9, 1,4-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-, diacetate (salt); Acetic acid--1,4-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	287513	.	.	.	.	472.5	C24H32N4O6	160	544	.	34	7	10	12	"InChI=1S/C22H28N4O4.C2H4O2/c27-13-11-23-7-9-25-17-5-6-18(26-10-8-24-12-14-28)20-19(17)21(29)15-3-1-2-4-16(15)22(20)30;1-2(3)4/h1-6,23-28H,7-14H2;1H3,(H,3,4)"	CC(=O)O.C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNCCO)NCCNCCO	IAGMBSXKAGFBJT-UHFFFAOYSA-N
DG63853	Ombrabulin	6918405	"Ombrabulin; 181816-48-8; AVE8062; (S,Z)-2-Amino-3-hydroxy-N-(2-methoxy-5-(3,4,5-trimethoxystyryl)phenyl)propanamide; UNII-82JB1524Q6; AC7700; AVE 8062; CHEMBL572284; (2S)-2-amino-3-hydroxy-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide; 82JB1524Q6; AVE-8062; Ombrabulin [INN]; Propanamide, 2-amino-3-hydroxy-N-[2-methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-, (2S)-; 253426-24-3; SCHEMBL235101; ZINC1892617; 9526AA; BDBM50147363; NSC759223; NSC778229; NSC778448; CS-6669; DB12882; NSC-759223; NSC-778229; NSC-778448; HY-14797; 816O488; Q7089934"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	778448	.	.	.	.	402.4	C21H26N2O6	112	517	2.2	29	3	7	9	"InChI=1S/C21H26N2O6/c1-26-17-8-7-13(9-16(17)23-21(25)15(22)12-24)5-6-14-10-18(27-2)20(29-4)19(11-14)28-3/h5-11,15,24H,12,22H2,1-4H3,(H,23,25)/b6-5-/t15-/m0/s1"	COC1=C(C=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)[C@H](CO)N	IXWNTLSTOZFSCM-YVACAVLKSA-N
DG63855	Belinostat	6918638	"Belinostat; 414864-00-9; PXD101; Belinostat (PXD101); 866323-14-0; PXD-101; Beleodaq; (E)-N-hydroxy-3-(3-(N-phenylsulfamoyl)phenyl)acrylamide; NSC726630; N-HYDROXY-3-(3-PHENYLSULFAMOYLPHENYL)ACRYLAMIDE; PXD 101; UNII-F4H96P17NZ; PX105684; PX-105684; F4H96P17NZ; (2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide; CHEBI:61076; N-HYDROXY-3-[3-[(PHENYLAMINO)SULFONYL]PHENYL]-2-PROPENAMIDE; 2-Propenamide, N-hydroxy-3-[3-[(phenylamino)sulfonyl]phenyl]-, (2E)-; PX 105684; (E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide; (2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]acrylamide; N-hydroxy-3-(3-(phenylsulfamoyl)phenyl)prop-2-enamide; (E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide.; E-Belinostat; Belinostat [USAN:INN]; 2-Propenamide, N-hydroxy-3-(3-((phenylamino)sulfonyl)phenyl)-, (2E)-; Belinostat Ph3; Beleodaq (TN); N-Hydroxy-3-(3-(N-phenylsulfamoyl)phenyl)acrylamide; Belinostat - PXD101; Belinostat (USAN/INN); Belinostat  (PXD101); N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]-2-propenamide; N-Hydroxy-3-(3-phenylsulphamoylphenyl)acrylamide; MLS006011091; CHEMBL408513; GTPL7496; BDBM25150; CHEBI:94531; AMY1792; DTXSID60194378; EX-A180; QCR-181; (E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enehydroxamic acid; BCPP000351; AOB87787; BCP01741; ZINC3818726; Belinostat,PXD101, PX105684; MFCD08064035; NSC758774; s1085; AKOS025401741; BCP9000386; CCG-208758; DB05015; LS41098; NSC-726630; NSC-758774; NCGC00263155-02; NCGC00263155-05; AC-25046; AS-17068; SMR004702879; SW219445-1; EC-000.2286; A25012; D08870; J-523584; Q4882925; BRD-K17743125-001-01-9; N-Hydroxy-3-[(phenylamino)sulfonyl]-trans-cinnamamide; (E)-N-Hydroxy-3-(3-phenylsulfamoyl-phenyl)-acrylamide; 5OG"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726630	.	.	.	.	318.3	C15H14N2O4S	104	492	1.7	22	3	5	5	"InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+"	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO	NCNRHFGMJRPRSK-MDZDMXLPSA-N
DG63857	"(4-Amino-2-((1-(methylsulfonyl)piperidin-4-yl)amino)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone"	6918852	"741713-40-6; R547; R-547; (4-amino-2-((1-(methylsulfonyl)piperidin-4-yl)amino)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone; R 547; Ro 4584820; RO-4584820; [4-Amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone; UNII-T61871RKRI; T61871RKRI; [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone; 741713-40-6 (free base); 5-[(2,3-difluoro-6-Methoxyphenyl)carbonyl]-2-N-(1-Methanesulfonylpiperidin-4-yl)pyriMidine-2,4-diaMine; (4-Amino-2-((1-methylsulfonylpiperidin-4-yl)amino)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone; (4-Amino-2-{[1-(Methylsulfonyl)piperidin-4-Yl]amino}pyrimidin-5-Yl)(2,3-Difluoro-6-Methoxyphenyl)methanone; 4-Amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone; 2fvd; (4-amino-2-([1-(methylsulfonyl)piperidin-4-yl]amino)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone; LIA; MLS006010282; CHEMBL384304; GTPL5707; SCHEMBL2397067; C18H21F2N5O4S; BDBM12621; DTXSID30225143; EX-A105; HMS3656L13; 2,4-Diamino-5-ketopyrimidine 39; BCP02856; MFCD09970629; NSC773094; NSC800859; RG-547; s2688; ZINC13983251; AKOS025149095; CCG-269137; CS-0022; DB08094; NSC-773094; NSC-800859; SB19228; CID 6918852; NCGC00346632-01; NCGC00346632-06; HY-10014; SMR004701352; R547, >=98% (HPLC); RO4584820; FT-0687511; SW220191-1; Y0369; 713A406; J-502762; Q27088507; (4-amino-2-(1-(methylsulfonyl)piperidin-4-ylamino)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone; [4-amino-2-(1-methanesulfonyl-piperidin-4-ylamino)-pyrimidin-5-yl]-(2,3-difluoro-6-methoxy-phenyl)-methanone; [4-amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone; [4-Amino-2-[[1-(methylsulfonyl)-4-piperidinyl]amino]-5-pyrimidinyl](2,3-difluoro-6-methoxyphenyl)methanone; 4-Amino-2-(1-methylsulfonylpiperidin-4-yl)aminopyrimidin-5-yl(2,3-difluoro-6-methoxyphenyl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773094	.	.	.	.	441.5	C18H21F2N5O4S	136	701	2.1	30	2	11	6	"InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)"	COC1=C(C(=C(C=C1)F)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C	JRNJNYBQQYBCLE-UHFFFAOYSA-N
DG63858	[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate	7004070	[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate; [3-(4-Methoxyphenyl)-3-oxoprop-1-enyl] methyl cyanocarbonimidodithioate; 299461-79-3; NSC723917; CHEMBL1981594; MFCD08461881; ZINC16216131; AKOS024373067; ZINC100662010; NSC-723917; [3-(4-methoxyphenyl)-3-oxoprop-1-enyl] methylcyanocarbonimidodithioate; S-[3-(4-Methoxy-phneyl)-3-oxo-prop-1-en-1-yl]-S'-methyl cyanimidodithiocarbonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723917	.	.	.	.	292.4	C13H12N2O2S2	113	404	3.4	19	0	6	6	"InChI=1S/C13H12N2O2S2/c1-17-11-5-3-10(4-6-11)12(16)7-8-19-13(18-2)15-9-14/h3-8H,1-2H3/b8-7+,15-13 "	COC1=CC=C(C=C1)C(=O)/C=C/SC(=NC#N)SC	VFJOWVMRXRBZPA-DPZRFJKGSA-N
DG63859	[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]sulfanyl-methylsulfanylmethylidene]cyanamide	7021609	[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]sulfanyl-methylsulfanylmethylidene]cyanamide; 284496-06-6; [3-(4-Chlorophenyl)-3-oxoprop-1-enyl] methyl cyanocarbonimidodithioate; NSC724284; RARECHEM AL FB 0058; CHEMBL1991542; MFCD08461880; ZINC16248582; AKOS024359846; ZINC100661926; NSC-724284; [3-(4-chlorophenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate; [3-(4-chlorophenyl)-3-oxoprop-1-enyl] methylcyanocarbonimidodithioate; S-[3-(4-Chloro-phenyl)-3-oxo-prop-1-en-1-yl] S'-methyl cyanimidodithiocarbonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724284	.	.	.	.	296.8	C12H9ClN2OS2	104	392	4	18	0	5	5	"InChI=1S/C12H9ClN2OS2/c1-17-12(15-8-14)18-7-6-11(16)9-2-4-10(13)5-3-9/h2-7H,1H3/b7-6+,15-12 "	CSC(=NC#N)S/C=C/C(=O)C1=CC=C(C=C1)Cl	VQOLKYYMLBSEJT-AXUHJDFSSA-N
DG63860	methyl (2R)-3-(1H-indol-3-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate	7033619	ZINC3070258; NSC772451; NSC-772451	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772451	.	.	.	.	348.4	C21H20N2O3	71.2	513	3.5	26	2	3	7	"InChI=1S/C21H20N2O3/c1-26-21(25)19(13-16-14-22-18-10-6-5-9-17(16)18)23-20(24)12-11-15-7-3-2-4-8-15/h2-12,14,19,22H,13H2,1H3,(H,23,24)/b12-11+/t19-/m1/s1"	COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)/C=C/C3=CC=CC=C3	YKNHOQVMMAPARH-TZZQJPOUSA-N
DG63861	"N-(4-butylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide"	7161317	CHEMBL591890; MMV001255; NSC766494; MCULE-3497077009; NSC-766494; SJ000269304; SR-01000914759; SR-01000914759-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766494	.	.	.	.	384.5	C21H24N2O3S	74.9	636	4	27	1	4	6	"InChI=1S/C21H24N2O3S/c1-2-3-4-15-5-8-18(9-6-15)22-27(25,26)19-13-16-7-10-20(24)23-12-11-17(14-19)21(16)23/h5-6,8-9,13-14,22H,2-4,7,10-12H2,1H3"	CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3	GDEYSCBSQAECPV-UHFFFAOYSA-N
DG63862	5-[1-(4-chlorophenyl)-1H-tetraazol-5-yl]-2-(1-pyrrolidinyl)-4-(trifluoromethyl)pyrimidine	7285296	"MLS000324560; SMR000163482; 5-[1-(4-chlorophenyl)-1H-tetraazol-5-yl]-2-(1-pyrrolidinyl)-4-(trifluoromethyl)pyrimidine; CHEMBL1329907; BDBM77353; cid_7285296; REGID_for_CID_7285296; HMS2367O17; ZINC4568143; NSC735173; AKOS024385120; MCULE-6946799343; NSC-735173; 5-[1-(4-chlorophenyl)tetrazol-5-yl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine; AG-401/43237619; 5-[1-(4-Chloro-phenyl)-1H-tetrazol-5-yl]-2-pyrrolidin-1-yl-4 -trifluoromethyl-pyrimidine; 5-[1-(4-chlorophenyl)-5-tetrazolyl]-2-(1-pyrrolidinyl)-4-(trifluoromethyl)pyrimidine; 5-[1-(4-chlorophenyl)tetrazol-5-yl]-2-pyrrolidino-4-(trifluoromethyl)pyrimidine; 5-[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735173	.	.	.	.	395.77	C16H13ClF3N7	72.6	497	3.7	27	0	9	3	"InChI=1S/C16H13ClF3N7/c17-10-3-5-11(6-4-10)27-14(23-24-25-27)12-9-21-15(26-7-1-2-8-26)22-13(12)16(18,19)20/h3-6,9H,1-2,7-8H2"	C1CCN(C1)C2=NC=C(C(=N2)C(F)(F)F)C3=NN=NN3C4=CC=C(C=C4)Cl	ITEQRTWMTYJAIE-UHFFFAOYSA-N
DG63863	1-ethyl-3-[(E)-2-pyridylmethyleneamino]thiourea	7728685	NSC673832; CHEMBL1765792; SCHEMBL5180987; BDBM50341546; NSC-673832; 2-Pyridinecarbaldehyde N-ethylthiosemicarbazone; 1-ethyl-3-[(E)-2-pyridylmethyleneamino]thiourea; (E)-N-Ethyl-2-(pyridin-2-ylmethylene)hydrazinecarbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673832	.	.	.	.	208.29	C9H12N4S	81.4	205	1.2	14	2	3	3	"InChI=1S/C9H12N4S/c1-2-10-9(14)13-12-7-8-5-3-4-6-11-8/h3-7H,2H2,1H3,(H2,10,13,14)/b12-7+"	CCNC(=S)N/N=C/C1=CC=CC=N1	BSARYNMULKHEMH-KPKJPENVSA-N
DG63864	2-[[a-(4-METHOXYBENZOYLOXY)ACETYL]AMINO]-4-CARBETHOXYMETHYLT HIAZOLE	7861871	NSC736268; NSC-736268; 2-[[a-(4-METHOXYBENZOYLOXY)ACETYL]AMINO]-4-CARBETHOXYMETHYLT HIAZOLE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736268	.	.	.	.	378.4	C17H18N2O6S	132	496	2.2	26	1	8	10	"InChI=1S/C17H18N2O6S/c1-3-24-15(21)8-12-10-26-17(18-12)19-14(20)9-25-16(22)11-4-6-13(23-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,20)"	CCOC(=O)CC1=CSC(=N1)NC(=O)COC(=O)C2=CC=C(C=C2)OC	CSMKRAVEJNVPDZ-UHFFFAOYSA-N
DG63865	"1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2-hydroxybenzene"	7897244	"ZINC6144256; MFCD06009110; NSC727962; AKOS002257960; MCULE-6794619073; NSC-727962; 1-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]-2-hydroxybenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727962	.	.	.	.	447.9	C24H18ClN3O4	98.7	764	4	32	3	5	6	"InChI=1S/C24H18ClN3O4/c25-20-21(24(32)28(23(20)31)14-15-7-2-1-3-8-15)26-17-10-6-9-16(13-17)22(30)27-18-11-4-5-12-19(18)29/h1-13,26,29H,14H2,(H,27,30)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4O	DQYZDGHFAMFPDU-UHFFFAOYSA-N
DG63866	"2-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamidomethyl]furan"	7897249	"ZINC6144308; NSC732853; AKOS002351264; MCULE-2226358608; NSC-732853; 2-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamidomethyl]furan"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732853	.	.	.	.	435.9	C23H18ClN3O4	91.6	726	3.4	31	2	5	7	"InChI=1S/C23H18ClN3O4/c24-19-20(23(30)27(22(19)29)14-15-5-2-1-3-6-15)26-17-10-8-16(9-11-17)21(28)25-13-18-7-4-12-31-18/h1-12,26H,13-14H2,(H,25,28)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NCC4=CC=CO4	AYSUVZDADWJSIT-UHFFFAOYSA-N
DG63867	"(E)-3-(2,4-dichlorophenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one"	7947301	NSC733143; NSC-733143	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733143	.	.	.	.	357.2	C20H14Cl2O2	26.3	465	6.2	24	0	2	4	"InChI=1S/C20H14Cl2O2/c1-24-18-8-5-14-10-16(3-2-15(14)11-18)20(23)9-6-13-4-7-17(21)12-19(13)22/h2-12H,1H3/b9-6+"	COC1=CC2=C(C=C1)C=C(C=C2)C(=O)/C=C/C3=C(C=C(C=C3)Cl)Cl	UMWUIWAFLCARLS-RMKNXTFCSA-N
DG63868	1-(6-Methoxy-2-naphthyl)-3-(3-methoxyphenyl)-2-propen-1-one	7947309	ZINC6340442; NSC729974; NSC-729974; AR-685/43307762; 1-(6-methoxy-2-naphthyl)-3-(3-methoxyphenyl)-2-propen-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729974	.	.	.	.	318.4	C21H18O3	35.5	444	4.9	24	0	3	5	"InChI=1S/C21H18O3/c1-23-19-5-3-4-15(12-19)6-11-21(22)18-8-7-17-14-20(24-2)10-9-16(17)13-18/h3-14H,1-2H3/b11-6+"	COC1=CC2=C(C=C1)C=C(C=C2)C(=O)/C=C/C3=CC(=CC=C3)OC	GGQNSEKBLAIFSQ-IZZDOVSWSA-N
DG63869	"3-(2,3-Dimethoxyphenyl)-1-(6-methoxy-2-naphthyl)-2-propen-1-one"	8108844	"ZINC6897855; NSC733142; AKOS000991728; NSC-733142; AR-685/43307781; 3-(2,3-dimethoxyphenyl)-1-(6-methoxy-2-naphthyl)-2-propen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733142	.	.	.	.	348.4	C22H20O4	44.8	489	4.9	26	0	4	6	"InChI=1S/C22H20O4/c1-24-19-11-9-16-13-18(8-7-17(16)14-19)20(23)12-10-15-5-4-6-21(25-2)22(15)26-3/h4-14H,1-3H3/b12-10+"	COC1=CC2=C(C=C1)C=C(C=C2)C(=O)/C=C/C3=C(C(=CC=C3)OC)OC	VZFVGMQFNWHMSO-ZRDIBKRKSA-N
DG63870	"(E)-3-(3,4-dimethoxyphenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one"	8857297	NSC729531; AKOS000991760; NSC-729531	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729531	.	.	.	.	348.4	C22H20O4	44.8	489	4.9	26	0	4	6	"InChI=1S/C22H20O4/c1-24-19-9-8-16-13-18(7-6-17(16)14-19)20(23)10-4-15-5-11-21(25-2)22(12-15)26-3/h4-14H,1-3H3/b10-4+"	COC1=CC2=C(C=C1)C=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC	XAPFKURXRAJDRX-ONNFQVAWSA-N
DG63871	"1-(2,4-Dichlorophenyl)-3-(2-thienyl)-2-propen-1-one"	8858308	"1-(2,4-dichlorophenyl)-3-(2-thienyl)-2-propen-1-one; (E)-1-(2,4-dichlorophenyl)-3-thiophen-2-ylprop-2-en-1-one; 940291-99-6; CHEMBL4648256; ZINC7743518; MFCD05364198; NSC733134; NSC-733134; AR-685/40364930; (2E)-1-(2,4-Dichlorophenyl)-3-(thiophen-2-yl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733134	.	.	.	.	283.2	C13H8Cl2OS	45.3	306	4.7	17	0	2	3	InChI=1S/C13H8Cl2OS/c14-9-3-5-11(12(15)8-9)13(16)6-4-10-2-1-7-17-10/h1-8H/b6-4+	C1=CSC(=C1)/C=C/C(=O)C2=C(C=C(C=C2)Cl)Cl	VTGXROIWNWMNKF-GQCTYLIASA-N
DG63872	"1-(2,4-Dichloro-5-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one"	9448385	"ZINC8322564; NSC736591; NSC-736591; AR-685/43306209; 1-(2,4-dichloro-5-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736591	.	.	.	.	385.2	C18H15Cl2FO4	44.8	462	5	25	0	5	6	"InChI=1S/C18H15Cl2FO4/c1-23-16-6-10(7-17(24-2)18(16)25-3)4-5-15(22)11-8-14(21)13(20)9-12(11)19/h4-9H,1-3H3/b5-4+"	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=CC(=C(C=C2Cl)Cl)F	FUPRFHKOAGSTLA-SNAWJCMRSA-N
DG63873	9-Nitro-10-methoxy-20(S)-camptothecin	9549071	"CHEMBL76032; NSC603074; NSC-603074; 9-Nitro-10-methoxy-20(S)-camptothecin; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 4-ethyl-4-hydroxy-9-methoxy-10-nitro-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603074	.	.	.	.	423.4	C21H17N3O7	135	909	0.8	31	1	8	2	"InChI=1S/C21H17N3O7/c1-3-21(27)13-7-15-17-10(8-23(15)19(25)12(13)9-31-20(21)26)6-11-14(22-17)4-5-16(30-2)18(11)24(28)29/h4-7,27H,3,8-9H2,1-2H3/t21-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5[N+](=O)[O-])OC)N=C4C3=C2)O	OYYBCAZAGJZTCD-NRFANRHFSA-N
DG63874	"N-(2-(4-Ethylpiperazin-1-yl)-4-methylquinolin-6-yl)-3,4-dimethoxybenzamide"	9550693	"TCMDC-123598; SMR000127624; MLS000522356; MLS002585970; CHEMBL547269; SCHEMBL5910589; HMS1811D10; HMS2257J06; MMV019074; NSC766523; NSC-766523; NCGC00103844-01; SR-01000549014; SR-01000549014-1; C095-0296; N-(2-(4-Ethylpiperazin-1-yl)-4-methylquinolin-6-yl)-3,4-dimethoxybenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766523	.	.	.	.	434.5	C25H30N4O3	66.9	612	4	32	1	6	6	"InChI=1S/C25H30N4O3/c1-5-28-10-12-29(13-11-28)24-14-17(2)20-16-19(7-8-21(20)27-24)26-25(30)18-6-9-22(31-3)23(15-18)32-4/h6-9,14-16H,5,10-13H2,1-4H3,(H,26,30)"	CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)OC)C(=C2)C	YGHVMEYBSUHIGF-UHFFFAOYSA-N
DG63875	"Pyruvaldehyde bis(N4,N4-dimethylthiosemicarbazone)"	9552058	"PTSM; 673-68-7; Pyruvaldehyde bis(N4,N4-dimethylthiosemicarbazone); pyruvaldehyde bis(n4-methylthiosemicarbazone); 1-methyl-3-[(E)-[(1E)-1-(methylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]thiourea; 19482-79-2; Hydrazinecarbothioamide,2-[2-[2-(aminothioxomethyl)-2-methylhydrazinylidene]propylidene]-N-methyl-; methylglyoxal bis-4-methylthiosemicarbazone; NSC 23345; AI3-61028; Pyruvaldehyde, bis(4-methyl-3-thiosemicarbazone); CHEMBL29906; SCHEMBL22101949; NSC23345; NSC-23345; AKOS015914572; Hydrazinecarbothioamide, 2,2'-(1-methyl-1,2-ethanediylidene)bis(N-methyl-; ZINC104334071; Pyruvaldehyde, bis(4-methyl-3-thiosemicarbazone) (8CI); Hydrazinecarbothioamide,2'-(1-methyl-1,2-ethanediylidene)bis[N-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23345	.	.	.	.	246.4	C7H14N6S2	137	285	0	15	4	4	3	"InChI=1S/C7H14N6S2/c1-5(11-13-7(15)9-3)4-10-12-6(14)8-2/h4H,1-3H3,(H2,8,12,14)(H2,9,13,15)/b10-4+,11-5+"	C/C(=N\\NC(=S)NC)/C=N/NC(=S)NC	VEXRMMJOMMTPKJ-ZVSIBQGLSA-N
DG63876	2-hydroxy-N'-[(E)-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene]benzohydrazide	9552577	2-hydroxy-N'-[(E)-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene]benzohydrazide; NSC717514; MLS000585925; CHEMBL1982545; CHEBI:121300; STK673452; AKOS005593179; MCULE-1213779794; NSC-717514; SMR000207706; SR-01000117553; SR-01000117553-1; 2-hydroxy-N'-((1E)-{4-[(1-methyl-1H-imidazol-2-yl)thio]-3-nitrophenyl}methylene)benzohydrazide; 2-hydroxy-N-[(E)-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]methylideneamino]benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717514	.	.	.	.	397.4	C18H15N5O4S	151	587	3.4	28	2	7	5	"InChI=1S/C18H15N5O4S/c1-22-9-8-19-18(22)28-16-7-6-12(10-14(16)23(26)27)11-20-21-17(25)13-4-2-3-5-15(13)24/h2-11,24H,1H3,(H,21,25)/b20-11+"	CN1C=CN=C1SC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3O)[N+](=O)[O-]	PLHDFTJRGZEFCG-RGVLZGJSSA-N
DG63877	"N-(1,3-Dihydro-1-methyl-3-(phenylsulfonyl)-2H-benzimidazol-2-ylidene)benzenesulfonamide"	9554122	"NSC690404; 173374-94-2; SCHEMBL979661; CHEMBL1966750; NSC-690404; N-(1,3-Dihydro-1-methyl-3-(phenylsulfonyl)-2H-benzimidazol-2-ylidene)benzenesulfonamide; (NE)-N-[1-(benzenesulfonyl)-3-methyl-benzimidazol-2-ylidene]benzenesulfonamide; N-(1-Methyl-3-(phenylsulfonyl)-1,3-dihydro-2H-benzimidazol-2-ylidene)benzenesulfonamide; N-(1-Methyl-3-(phenylsulfonyl)-1H-benzo[d]imidazol-2(3H)-ylidene)benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690404	.	.	.	.	427.5	C20H17N3O4S2	104	817	3.5	29	0	5	4	"InChI=1S/C20H17N3O4S2/c1-22-18-14-8-9-15-19(18)23(29(26,27)17-12-6-3-7-13-17)20(22)21-28(24,25)16-10-4-2-5-11-16/h2-15H,1H3/b21-20+"	CN\\1C2=CC=CC=C2N(/C1=N/S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4	ZRXATGJHZBPJSG-QZQOTICOSA-N
DG63878	"1-N,4-N-bis[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]benzene-1,4-dicarboxamide"	9554616	NSC164878; ZINC150384657; NSC-164878	.	.	Investigative Drug(s)	Investigative	Small molecular drug	164878	.	.	.	.	650.4	C30H32Cl4N6O2	89.4	762	6.4	42	2	6	16	"InChI=1S/C30H32Cl4N6O2/c31-13-17-39(18-14-32)27-9-1-23(2-10-27)21-35-37-29(41)25-5-7-26(8-6-25)30(42)38-36-22-24-3-11-28(12-4-24)40(19-15-33)20-16-34/h1-12,21-22H,13-20H2,(H,37,41)(H,38,42)/b35-21+,36-22+"	C1=CC(=CC=C1/C=N/NC(=O)C2=CC=C(C=C2)C(=O)N/N=C/C3=CC=C(C=C3)N(CCCl)CCCl)N(CCCl)CCCl	IJFFQBLNPZTBAM-JTOYJDTJSA-N
DG63879	"1-Piperazinecarbothioicacid, 4-(2-pyridinyl)-, (1-(6-methyl-2-pyridinyl)ethylidene)hydrazide"	9554702	"NSC335787; 86919-59-7; 1-Piperazinecarbothioicacid, 4-(2-pyridinyl)-, (1-(6-methyl-2-pyridinyl)ethylidene)hydrazide; 1-Piperazinecarbothioicacid, 4-(2-pyridinyl)-, [1-(6-methyl-2-pyridinyl)ethylidene]hydrazide; NSC 335787; CHEMBL1982367; NSC-335787; 1-Piperazinecarbothioic acid, [1-(6-methyl-2-pyridinyl)ethylidene]hydrazide; N-[(E)-1-(6-methyl-2-pyridyl)ethylideneamino]-4-(2-pyridyl)piperazine-1-carbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	335787	.	.	.	.	354.5	C18H22N6S	88.7	474	2.5	25	1	5	3	"InChI=1S/C18H22N6S/c1-14-6-5-7-16(20-14)15(2)21-22-18(25)24-12-10-23(11-13-24)17-8-3-4-9-19-17/h3-9H,10-13H2,1-2H3,(H,22,25)/b21-15+"	CC1=NC(=CC=C1)/C(=N/NC(=S)N2CCN(CC2)C3=CC=CC=N3)/C	JIBKQOYQTHHUSH-RCCKNPSSSA-N
DG63880	4-(2-Pyridinyl)-N'-(1-(8-quinolinyl)ethylidene)-1-piperazinecarbothiohydrazide	9554716	NSC363952; CHEMBL1968001; ZINC5551188; NSC-363952; 4-(2-Pyridinyl)-N'-(1-(8-quinolinyl)ethylidene)-1-piperazinecarbothiohydrazide; 4-(2-pyridyl)-N-[(E)-1-(8-quinolyl)ethylideneamino]piperazine-1-carbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	363952	.	.	.	.	390.5	C21H22N6S	88.7	559	3.1	28	1	5	3	"InChI=1S/C21H22N6S/c1-16(18-8-4-6-17-7-5-11-23-20(17)18)24-25-21(28)27-14-12-26(13-15-27)19-9-2-3-10-22-19/h2-11H,12-15H2,1H3,(H,25,28)/b24-16+"	C/C(=N\\NC(=S)N1CCN(CC1)C2=CC=CC=N2)/C3=CC=CC4=C3N=CC=C4	NGNGDVSSBXKDOU-LFVJCYFKSA-N
DG63881	[(E)-[1-(2-chloroethyl)indol-3-yl]methyleneamino]thiourea	9554732	NSC649010; CHEMBL1969347; NSC-649010; [(E)-[1-(2-chloroethyl)indol-3-yl]methyleneamino]thiourea; 1-(2-Chloroethyl)-1H-indole-3-carbaldehyde thiosemicarbazone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649010	.	.	.	.	280.78	C12H13ClN4S	87.4	323	1.8	18	2	2	4	"InChI=1S/C12H13ClN4S/c13-5-6-17-8-9(7-15-16-12(14)18)10-3-1-2-4-11(10)17/h1-4,7-8H,5-6H2,(H3,14,16,18)/b15-7+"	C1=CC=C2C(=C1)C(=CN2CCCl)/C=N/NC(=S)N	DHXKFYXCSHBACM-VIZOYTHASA-N
DG63882	1-[(E)-1-(2-pyridyl)ethylideneamino]-3-[2-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]ethyl]thiourea	9554737	NSC667877; CHEMBL1975236; NSC-667877; 1-(2-Pyridinyl)ethanone N-(2-(((2-(1-(2-pyridinyl)ethylidene)hydrazino)carbothioyl)amino)ethyl)thiosemicarbazone; 1-[(E)-1-(2-pyridyl)ethylideneamino]-3-[2-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]ethyl]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667877	.	.	.	.	414.6	C18H22N8S2	163	528	1.9	28	4	6	7	"InChI=1S/C18H22N8S2/c1-13(15-7-3-5-9-19-15)23-25-17(27)21-11-12-22-18(28)26-24-14(2)16-8-4-6-10-20-16/h3-10H,11-12H2,1-2H3,(H2,21,25,27)(H2,22,26,28)/b23-13+,24-14+"	C/C(=N\\NC(=S)NCCNC(=S)N/N=C(/C1=CC=CC=N1)\\C)/C2=CC=CC=N2	OCOPLUDKYCFUIL-RNIAWFEPSA-N
DG63883	NSC667880	9554738	1-methyl-1-[2-[methyl-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioyl]amino]ethyl]-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea; NSC667880; CHEMBL1975050; NSC-667880; 1-(2-Pyridinyl)ethanone N-methyl-N-(2-(methyl((2-(1-(2-pyridinyl)ethylidene)hydrazino)carbothioyl)amino)ethyl)thiosemicarbazone; 1-methyl-1-[2-[methyl-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioyl]amino]ethyl]-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667880	.	.	.	.	442.6	C20H26N8S2	145	582	2.3	30	2	6	7	"InChI=1S/C20H26N8S2/c1-15(17-9-5-7-11-21-17)23-25-19(29)27(3)13-14-28(4)20(30)26-24-16(2)18-10-6-8-12-22-18/h5-12H,13-14H2,1-4H3,(H,25,29)(H,26,30)/b23-15+,24-16+"	C/C(=N\\NC(=S)N(CCN(C(=S)N/N=C(/C1=CC=CC=N1)\\C)C)C)/C2=CC=CC=N2	AJPLVDXOZKHRDV-DFEHQXHXSA-N
DG63884	"Hydrazinecarbothioamide, N,N-diethyl-2-[1-(6-methyl-2-pyridinyl)ethylidene]-"	9554740	"NSC673829; CHEMBL1966388; NSC-673829; 1,1-diethyl-3-[(E)-1-(6-methyl-2-pyridyl)ethylideneamino]thiourea; Hydrazinecarbothioamide,N-diethyl-2-[1-(6-methyl- 2-pyridinyl)ethylidene]-; Hydrazinecarbothioamide, N,N-diethyl-2-[1-(6-methyl-2-pyridinyl)ethylidene]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673829	.	.	.	.	264.39	C13H20N4S	72.6	299	2.4	18	1	3	4	"InChI=1S/C13H20N4S/c1-5-17(6-2)13(18)16-15-11(4)12-9-7-8-10(3)14-12/h7-9H,5-6H2,1-4H3,(H,16,18)/b15-11+"	CCN(CC)C(=S)N/N=C(\\C)/C1=CC=CC(=N1)C	GHPKSEZQVVOUAE-RVDMUPIBSA-N
DG63885	Mimdtc	9554742	"Mimdtc; NSC614795; 24898-58-6; methyl N-[(E)-isoquinolin-1-ylmethylideneamino]carbamodithioate; S-Methyl-N-(1-isolquinolyl)methylendithiocarbazate; CHEMBL1966558; NSC-614795; Methyl 2-(1-isoquinolinylmethylene)hydrazinecarbodithioate; methyl N-[(E)-1-isoquinolylmethyleneamino]carbamodithioate; Hydrazinecarbodithioic acid, (1-isoquinolinylmethylene)-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614795	.	.	.	.	261.399	C12H11N3S2	94.7	294	3.2	17	1	4	3	"InChI=1S/C12H11N3S2/c1-17-12(16)15-14-8-11-10-5-3-2-4-9(10)6-7-13-11/h2-8H,1H3,(H,15,16)/b14-8+"	CSC(=S)N/N=C/C1=NC=CC2=CC=CC=C21	LNZQMYBCXYTKMH-RIYZIHGNSA-N
DG63886	"1,1-dipropyl-3-[(E)-2-pyridylmethyleneamino]thiourea"	9554743	"NSC667870; CHEMBL1987955; NSC-667870; 2-Pyridinecarbaldehyde N,N-dipropylthiosemicarbazone; 1,1-dipropyl-3-[(E)-2-pyridylmethyleneamino]thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667870	.	.	.	.	264.39	C13H20N4S	72.6	262	2.8	18	1	3	6	"InChI=1S/C13H20N4S/c1-3-9-17(10-4-2)13(18)16-15-11-12-7-5-6-8-14-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,18)/b15-11+"	CCCN(CCC)C(=S)N/N=C/C1=CC=CC=N1	ARFYQGPGBDRRSP-RVDMUPIBSA-N
DG63887	"2-Formylpyridine, diethylthiosemicarbazone"	9554745	"2-Formylpyridine, diethylthiosemicarbazone; NSC673833; CHEMBL1973064; NSC-673833; 2-Pyridinecarbaldehyde N,N-diethylthiosemicarbazone; 1,1-diethyl-3-[(E)-2-pyridylmethyleneamino]thiourea; Hydrazinecarbothioamide,N-diethyl-2-(2-pyridinyl-methylene)-; Hydrazinecarbothioamide, N,N-diethyl-2-(2-pyridinyl-methylene)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673833	.	.	.	.	236.34	C11H16N4S	72.6	238	1.8	16	1	3	4	"InChI=1S/C11H16N4S/c1-3-15(4-2)11(16)14-13-9-10-7-5-6-8-12-10/h5-9H,3-4H2,1-2H3,(H,14,16)/b13-9+"	CCN(CC)C(=S)N/N=C/C1=CC=CC=N1	QVEJUAHZDHVQOV-UKTHLTGXSA-N
DG63888	"1H-Azepine-1-thiocarboxylic acid, hexahydro-, (2-pyridylmethylene)hydrazide"	9554747	"NSC667872; 1H-AZEPINE-1-THIOCARBOXYLIC ACID, HEXAHYDRO-, (2-PYRIDYLMETHYLENE)HYDRAZIDE; 16553-00-7; BRN 1473449; Hexahydro-1H-azepine-1-thiocarboxylic acid (2-pyridylmethylene)hydrazide; CHEMBL2006335; DTXSID60167961; NSC-667872; N'-(2-Pyridinylmethylene)-1-azepanecarbothiohydrazide; N-[(E)-2-pyridylmethyleneamino]azepane-1-carbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667872	.	.	.	.	262.38	C13H18N4S	72.6	285	2.2	18	1	3	2	"InChI=1S/C13H18N4S/c18-13(17-9-5-1-2-6-10-17)16-15-11-12-7-3-4-8-14-12/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,18)/b15-11+"	C1CCCN(CC1)C(=S)N/N=C/C2=CC=CC=N2	YELXJUBURDMCLZ-RVDMUPIBSA-N
DG63889	"3-[(E)-(6-methyl-2-pyridyl)methyleneamino]-1,1-dipropyl-thiourea"	9554748	"NSC667874; CHEMBL1985040; NSC-667874; 6-Methyl-2-pyridinecarbaldehyde N,N-dipropylthiosemicarbazone; 3-[(E)-(6-methyl-2-pyridyl)methyleneamino]-1,1-dipropyl-thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667874	.	.	.	.	278.42	C14H22N4S	72.6	287	3.2	19	1	3	6	"InChI=1S/C14H22N4S/c1-4-9-18(10-5-2)14(19)17-15-11-13-8-6-7-12(3)16-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,17,19)/b15-11+"	CCCN(CCC)C(=S)N/N=C/C1=CC=CC(=N1)C	FRWBTUMOMNIVOB-RVDMUPIBSA-N
DG63890	N'-((6-Methyl-2-pyridinyl)methylene)-1-azepanecarbothiohydrazide	9554750	NSC667876; CHEMBL2006930; NSC-667876; N'-((6-Methyl-2-pyridinyl)methylene)-1-azepanecarbothiohydrazide; N-[(E)-(6-methyl-2-pyridyl)methyleneamino]azepane-1-carbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667876	.	.	.	.	276.4	C14H20N4S	72.6	311	2.7	19	1	3	2	"InChI=1S/C14H20N4S/c1-12-7-6-8-13(16-12)11-15-17-14(19)18-9-4-2-3-5-10-18/h6-8,11H,2-5,9-10H2,1H3,(H,17,19)/b15-11+"	CC1=NC(=CC=C1)/C=N/NC(=S)N2CCCCCC2	WCELUABOGMNLGI-RVDMUPIBSA-N
DG63891	1-(2-methoxyphenyl)-3-[(E)-2-pyridylmethyleneamino]thiourea	9554753	NSC668298; CHEMBL2006269; NSC-668298; 2-Pyridinecarbaldehyde N-(2-methoxyphenyl)thiosemicarbazone; 1-(2-methoxyphenyl)-3-[(E)-2-pyridylmethyleneamino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668298	.	.	.	.	286.35	C14H14N4OS	90.6	337	2.4	20	2	4	4	"InChI=1S/C14H14N4OS/c1-19-13-8-3-2-7-12(13)17-14(20)18-16-10-11-6-4-5-9-15-11/h2-10H,1H3,(H2,17,18,20)/b16-10+"	COC1=CC=CC=C1NC(=S)N/N=C/C2=CC=CC=N2	DOVQMBJFJCZODZ-MHWRWJLKSA-N
DG63892	N-[(E)-1-(2-pyridyl)ethylideneamino]-azacyclotridecane-1-carbothioamide	9554758	"NSC293074; 71555-44-7; CHEMBL1990073; DTXSID20429592; NSC-293074; N'-[(1E)-1-(2-Pyridinyl)ethylidene]azacyclotridecane-1-carbothiohydrazide; N'-[(E)-1-(2-Pyridinyl)ethylidene]azacyclotridecane-1-carbothiohydrazide #; N-[(E)-1-(2-pyridyl)ethylideneamino]-azacyclotridecane-1-carbothioamide; 1-Azacyclotridecane-1-thiocarboxylic acid, 2-[1-[2-pyridyl]ethylidene]hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	293074	.	.	.	.	360.6	C20H32N4S	72.6	397	5.7	25	1	3	2	"InChI=1S/C20H32N4S/c1-18(19-14-10-11-15-21-19)22-23-20(25)24-16-12-8-6-4-2-3-5-7-9-13-17-24/h10-11,14-15H,2-9,12-13,16-17H2,1H3,(H,23,25)/b22-18+"	C/C(=N\\NC(=S)N1CCCCCCCCCCCC1)/C2=CC=CC=N2	BTSHWGAQAYYNFK-RELWKKBWSA-N
DG63893	"[(E)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate"	9555370	MLS003115894; NSC310340; CHEMBL1983586; ZINC31761598; CCG-242057; NSC-310340	.	.	Investigative Drug(s)	Investigative	Small molecular drug	310340	.	.	.	.	483.9	C25H26ClN3O5	86.4	704	4.2	34	0	8	8	"InChI=1S/C25H26ClN3O5/c1-16(18-8-9-22(31-3)19(14-18)15-29-10-12-32-13-11-29)27-34-25(30)23-17(2)33-28-24(23)20-6-4-5-7-21(20)26/h4-9,14H,10-13,15H2,1-3H3/b27-16+"	CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)O/N=C(\\C)/C3=CC(=C(C=C3)OC)CN4CCOCC4	RWFOAHFPQQDTQL-JVWAILMASA-N
DG63894	N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]quinolin-4-amine	9555375	NSC313935; CHEMBL1999545; 91919-55-0; ZINC104208334; NSC-313935	.	.	Investigative Drug(s)	Investigative	Small molecular drug	313935	.	.	.	.	387.3	C20H20Cl2N4	40.5	420	5.1	26	1	4	8	"InChI=1S/C20H20Cl2N4/c21-10-13-26(14-11-22)17-7-5-16(6-8-17)15-24-25-20-9-12-23-19-4-2-1-3-18(19)20/h1-9,12,15H,10-11,13-14H2,(H,23,25)/b24-15+"	C1=CC=C2C(=C1)C(=CC=N2)N/N=C/C3=CC=C(C=C3)N(CCCl)CCCl	BEIQUHPCCPRYMS-BUVRLJJBSA-N
DG63895	"Hydrazinecarbothioamide, N-2-pyridinyl-2-(2-pyridinylmethylene)-"	9555487	"Hydrazinecarbothioamide, N-2-pyridinyl-2-(2-pyridinylmethylene)-; 51984-13-5; MLS003106950; NSC185062; SCHEMBL11830724; DTXSID50429782; ZINC5011688; NSC-185062; 2-Pyridinecarbaldehyde N-(2-pyridinyl)thiosemicarbazone #; 2-pyridinecarboxaldehyde 4-[2-pyridyl]-3-thiosemicarbazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	185062	.	.	.	.	257.32	C12H11N5S	94.3	294	1.7	18	2	4	3	"InChI=1S/C12H11N5S/c18-12(16-11-6-2-4-8-14-11)17-15-9-10-5-1-3-7-13-10/h1-9H,(H2,14,16,17,18)/b15-9+"	C1=CC=NC(=C1)/C=N/NC(=S)NC2=CC=CC=N2	WAMAMGLRPFVEBR-OQLLNIDSSA-N
DG63896	[6-[(E)-(carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-phenoxyacetate	9555563	NSC185057; 51984-27-1; DTXSID90429807; ZINC5203041; NSC-185057	.	.	Investigative Drug(s)	Investigative	Small molecular drug	185057	.	.	.	.	330.4	C15H14N4O3S	131	427	1.9	23	2	6	7	"InChI=1S/C15H14N4O3S/c16-15(23)19-18-8-11-6-7-13(9-17-11)22-14(20)10-21-12-4-2-1-3-5-12/h1-9H,10H2,(H3,16,19,23)/b18-8+"	C1=CC=C(C=C1)OCC(=O)OC2=CN=C(C=C2)/C=N/NC(=S)N	ZFVVIAZMYUDWHW-QGMBQPNBSA-N
DG63897	1-[bis(dimethylamino)phosphoryl]-N-(4-nitroanilino)formamidine	9555597	"NSC652139; CHEMBL1986745; NSC-652139; 1-[bis(dimethylamino)phosphoryl]-N-(4-nitroanilino)formamidine; P-((2-(4-(Hydroxy(oxido)amino)phenyl)hydrazino)(imino)methyl)-N,N,N',N'-tetramethylphosphonic diamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652139	.	.	.	.	314.28	C11H19N6O3P	120	428	1.6	21	2	7	5	"InChI=1S/C11H19N6O3P/c1-15(2)21(20,16(3)4)11(12)14-13-9-5-7-10(8-6-9)17(18)19/h5-8,13H,1-4H3,(H2,12,14)"	CN(C)P(=O)(/C(=N/NC1=CC=C(C=C1)[N+](=O)[O-])/N)N(C)C	ALDMZBBSWIXUTK-UHFFFAOYSA-N
DG63898	"Hydrazinecarbothioamide, 2-[[3-(methylamino)-2-pyridinyl]methylene]-"	9555629	"CHEMBL87471; MLS002702113; NSC266748; ZINC5438965; BDBM50051768; NSC-266748; Hydrazinecarbothioamide, 2-[[3-(methylamino)-2-pyridinyl]methylene]-; (1Z,N''E)-N''-((3-(methylamino)pyridin-2-yl)methylene)carbamohydrazonothioic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	266748	.	.	.	.	209.27	C8H11N5S	107	218	0.4	14	3	4	3	"InChI=1S/C8H11N5S/c1-10-6-3-2-4-11-7(6)5-12-13-8(9)14/h2-5,10H,1H3,(H3,9,13,14)/b12-5+"	CNC1=C(N=CC=C1)/C=N/NC(=S)N	PRSZSMVFSUELRT-LFYBBSHMSA-N
DG63899	"Hydrazinecarbothioamide, 2-[[5-(acetyloxy)-2-pyridinyl]methylene]-"	9555726	"NSC144055; 28321-28-0; 5-acetoxy-pyridine-2-carbaldehyde thiosemicarbazone; DTXSID00429853; ZINC5085833; Hydrazinecarbothioamide, 2-[[5-(acetyloxy)-2-pyridinyl]methylene]-; NSC-144055; Picolinaldehyde, thiosemicarbazone, acetate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144055	.	.	.	.	238.27	C9H10N4O2S	122	295	1.1	16	2	5	4	"InChI=1S/C9H10N4O2S/c1-6(14)15-8-3-2-7(11-5-8)4-12-13-9(10)16/h2-5H,1H3,(H3,10,13,16)/b12-4+"	CC(=O)OC1=CN=C(C=C1)/C=N/NC(=S)N	NXYPCAZJCPMVNA-UUILKARUSA-N
DG63900	[(E)-[5-(dimethylamino)pyridin-2-yl]methylideneamino]thiourea	9555761	NSC144054; 31181-51-8; DTXSID20429855; ZINC5085832; NSC-144054	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144054	.	.	.	.	223.3	C9H13N5S	98.6	241	1.5	15	2	4	3	"InChI=1S/C9H13N5S/c1-14(2)8-4-3-7(11-6-8)5-12-13-9(10)15/h3-6H,1-2H3,(H3,10,13,15)/b12-5+"	CN(C)C1=CN=C(C=C1)/C=N/NC(=S)N	NZEDUBYVLGQVSN-LFYBBSHMSA-N
DG63901	methyl N-[(Z)-[2-(3-hydroxy-5-nitro-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]carbamate	9555771	NSC618447; CHEMBL1982037; NSC-618447	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618447	.	.	.	.	384.3	C18H16N4O6	146	657	1.4	28	3	7	5	"InChI=1S/C18H16N4O6/c1-28-17(24)21-20-15(11-5-3-2-4-6-11)10-18(25)13-9-12(22(26)27)7-8-14(13)19-16(18)23/h2-9,25H,10H2,1H3,(H,19,23)(H,21,24)/b20-15-"	COC(=O)N/N=C(/CC1(C2=C(C=CC(=C2)[N+](=O)[O-])NC1=O)O)\\C3=CC=CC=C3	NVGPURSIRSECPC-HKWRFOASSA-N
DG63902	"N-[(Z)-[4-(1,3-benzothiazol-2-yl)-2,5,6-trioxo-1-thiazol-2-yl-3-piperidylidene]amino]-2-hydroxy-benzamide"	9555785	"NSC623765; CHEMBL1987880; NSC-623765; N'-[4-(1,3-Benzothiazol-2-yl)-2,5,6-trioxo-1-(1,3-thiazol-2-yl)piperidin-3-ylidene]-2-hydroxybenzohydrazide; N-[(Z)-[4-(1,3-benzothiazol-2-yl)-2,5,6-trioxo-1-thiazol-2-yl-3-piperidylidene]amino]-2-hydroxy-benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623765	.	.	.	.	491.5	C22H13N5O5S2	198	901	4.5	34	2	10	4	"InChI=1S/C22H13N5O5S2/c28-13-7-3-1-5-11(13)18(30)26-25-16-15(19-24-12-6-2-4-8-14(12)34-19)17(29)21(32)27(20(16)31)22-23-9-10-33-22/h1-10,15,28H,(H,26,30)/b25-16-"	C1=CC=C(C(=C1)C(=O)N/N=C\\2/C(C(=O)C(=O)N(C2=O)C3=NC=CS3)C4=NC5=CC=CC=C5S4)O	AFOVBFGUFQEADK-XYGWBWBKSA-N
DG63903	[(E)-(4-hexoxyphenyl)methylideneamino]thiourea	9555790	NSC19728; NSC-19728; ZINC33729299; AKOS024371896	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19728	.	.	.	.	279.4	C14H21N3OS	91.7	276	3.5	19	2	3	8	"InChI=1S/C14H21N3OS/c1-2-3-4-5-10-18-13-8-6-12(7-9-13)11-16-17-14(15)19/h6-9,11H,2-5,10H2,1H3,(H3,15,17,19)/b16-11+"	CCCCCCOC1=CC=C(C=C1)/C=N/NC(=S)N	DCMWDGWVNSYRGF-LFIBNONCSA-N
DG63904	"N-methyl-2,4,6-trinitro-N-[(E)-8-quinolylmethyleneamino]aniline"	9555797	"NSC629872; CHEMBL1981167; NSC-629872; N-methyl-2,4,6-trinitro-N-[(E)-8-quinolylmethyleneamino]aniline; 8-Quinolinecarbaldehyde methyl(2,4,6-tris(hydroxy(oxido)amino)phenyl)hydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629872	.	.	.	.	396.3	C17H12N6O6	166	634	3.4	29	0	9	3	"InChI=1S/C17H12N6O6/c1-20(19-10-12-5-2-4-11-6-3-7-18-16(11)12)17-14(22(26)27)8-13(21(24)25)9-15(17)23(28)29/h2-10H,1H3/b19-10+"	CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])/N=C/C2=CC=CC3=C2N=CC=C3	DOZORKGTBWIABA-VXLYETTFSA-N
DG63905	"(4E)-N-(2,5-dimethylphenyl)-4-[(2-hydroxy-1-naphthoyl)hydrazono]-6-(4-hydroxyphenyl)-5-methyl-6-oxohexanamide"	9555801	"NSC630357; CHEMBL1996777; AKOS024423432; NSC-630357; (4E)-N-(2,5-dimethylphenyl)-4-[(2-hydroxy-1-naphthoyl)hydrazono]-6-(4-hydroxyphenyl)-5-methyl-6-oxohexanamide; 1-Naphthalenecarboxylic acid, 2-hydroxy-, [(1E)-4-[(2,5-dimethylphenyl)amino]-1-[2-(4-hydroxyphenyl)-1-methyl-2-oxoethyl]-4-oxobutylidene]hydrazide; N-[(E)-[4-(2,5-dimethylanilino)-1-[2-(4-hydroxyphenyl)-1-methyl-2-oxo-ethyl]-4-oxo-butylidene]amino]-2-hydroxy-naphthalene-1-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630357	.	.	.	.	537.6	C32H31N3O5	128	914	6	40	4	6	9	"InChI=1S/C32H31N3O5/c1-19-8-9-20(2)27(18-19)33-29(38)17-15-26(21(3)31(39)23-10-13-24(36)14-11-23)34-35-32(40)30-25-7-5-4-6-22(25)12-16-28(30)37/h4-14,16,18,21,36-37H,15,17H2,1-3H3,(H,33,38)(H,35,40)/b34-26+"	CC1=CC(=C(C=C1)C)NC(=O)CC/C(=N\\NC(=O)C2=C(C=CC3=CC=CC=C32)O)/C(C)C(=O)C4=CC=C(C=C4)O	DARIHMOCHDYXKU-JJNGWGCYSA-N
DG63906	"5-(1,3-Benzothiazol-2-yl)-N-(4-chlorophenyl)-4-((hydrazino(oxo)acetyl)hydrazono)pentanamide"	9555802	"NSC630365; CHEMBL1988375; NSC-630365; (4E)-5-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-4-[(2-hydrazino-2-oxo-acetyl)hydrazono]pentanamide; 5-(1,3-Benzothiazol-2-yl)-N-(4-chlorophenyl)-4-((hydrazino(oxo)acetyl)hydrazono)pentanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630365	.	.	.	.	458.9	C20H19ClN6O3S	167	686	2.7	31	4	7	7	"InChI=1S/C20H19ClN6O3S/c21-12-5-7-13(8-6-12)23-17(28)10-9-14(26-27-20(30)19(29)25-22)11-18-24-15-3-1-2-4-16(15)31-18/h1-8H,9-11,22H2,(H,23,28)(H,25,29)(H,27,30)/b26-14+"	C1=CC=C2C(=C1)N=C(S2)C/C(=N/NC(=O)C(=O)NN)/CCC(=O)NC3=CC=C(C=C3)Cl	JJVCUBLXFVLAPB-VULFUBBASA-N
DG63907	"8-Quinolinecarboxaldehyde, 2-(2,4-dinitrophenyl)-2-methyl-hydrazone"	9555808	"NSC630684; MLS002701642; SMR001565243; cid_364424; CHEMBL2001032; BDBM83709; ZINC5889738; 8-Quinolinecarboxaldehyde, 2-(2,4-dinitrophenyl)-2-methyl- hydrazone; NSC-630684; (2,4-dinitrophenyl)-methyl-(8-quinolylmethyleneamino)amine; 8-Quinolinecarboxaldehyde,4-dinitrophenyl)-2-methyl- hydrazone; N-methyl-2,4-dinitro-N-(8-quinolinylmethylideneamino)aniline; N-methyl-2,4-dinitro-N-(quinolin-8-ylmethylideneamino)aniline; N-methyl-2,4-dinitro-N-[(E)-8-quinolylmethyleneamino]aniline; 8-Quinolinecarbaldehyde (2,4-bis(hydroxy(oxido)amino)phenyl)(methyl)hydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630684	.	.	.	.	351.32	C17H13N5O4	120	546	3.6	26	0	7	3	"InChI=1S/C17H13N5O4/c1-20(15-8-7-14(21(23)24)10-16(15)22(25)26)19-11-13-5-2-4-12-6-3-9-18-17(12)13/h2-11H,1H3/b19-11+"	CN(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/N=C/C2=CC=CC3=C2N=CC=C3	MFRQPZWPZFPOGU-YBFXNURJSA-N
DG63908	"N'-[(3Z)-4-(1,3-Benzothiazol-2-yl)-1-(2,6-dimethylphenyl)-2,5,6-trioxopiperidin-3-ylidene]-2-hydroxybenzohydrazide"	9555810	"NSC631520; CHEMBL2005862; NSC-631520; N'-[(3Z)-4-(1,3-Benzothiazol-2-yl)-1-(2,6-dimethylphenyl)-2,5,6-trioxopiperidin-3-ylidene]-2-hydroxybenzohydrazide; N-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(2,6-dimethylphenyl)-2,5,6-trioxo-3-piperidylidene]amino]-2-hydroxy-benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631520	.	.	.	.	512.5	C27H20N4O5S	157	962	5.8	37	2	8	4	"InChI=1S/C27H20N4O5S/c1-14-8-7-9-15(2)22(14)31-26(35)21(29-30-24(34)16-10-3-5-12-18(16)32)20(23(33)27(31)36)25-28-17-11-4-6-13-19(17)37-25/h3-13,20,32H,1-2H3,(H,30,34)/b29-21-"	CC1=C(C(=CC=C1)C)N2C(=O)/C(=N\\NC(=O)C3=CC=CC=C3O)/C(C(=O)C2=O)C4=NC5=CC=CC=C5S4	RMXTVFZMTXEHGA-ANYBSYGZSA-N
DG63909	5-(1H-benzimidazol-2-yl)-4-[(E)-benzylideneamino]-3-phenyl-thiazol-2-one	9555816	"NSC633190; CHEMBL1989085; NSC-633190; 5-(1H-benzimidazol-2-yl)-4-[(E)-benzylideneamino]-3-phenyl-thiazol-2-one; 2(3H)-Thiazolone, 5-(1H-benzimidazol-2-yl)-3-phenyl-4-[[(1E)-phenylmethylene]amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633190	.	.	.	.	396.5	C23H16N4OS	86.6	666	4.7	29	1	4	4	"InChI=1S/C23H16N4OS/c28-23-27(17-11-5-2-6-12-17)22(24-15-16-9-3-1-4-10-16)20(29-23)21-25-18-13-7-8-14-19(18)26-21/h1-15H,(H,25,26)/b24-15+"	C1=CC=C(C=C1)/C=N/C2=C(SC(=O)N2C3=CC=CC=C3)C4=NC5=CC=CC=C5N4	BEMABGSRTGXYOF-BUVRLJJBSA-N
DG63910	N'-[(E)-[4-[2-cyanoethyl(methylsulfonyl)amino]phenyl]methyleneamino]-N-(4-methoxyphenyl)propanediamide	9555827	NSC638220; CHEMBL1993003; ZINC31830105; NSC-638220; 3-((2E)-2-{4-[(2-Cyanoethyl)(methylsulfonyl)amino]benzylidene}hydrazino)-N-(4-methoxyphenyl)-3-oxopropanamide; N'-[(E)-[4-[2-cyanoethyl(methylsulfonyl)amino]phenyl]methyleneamino]-N-(4-methoxyphenyl)propanediamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638220	.	.	.	.	457.5	C21H23N5O5S	149	800	1.5	32	2	8	10	"InChI=1S/C21H23N5O5S/c1-31-19-10-6-17(7-11-19)24-20(27)14-21(28)25-23-15-16-4-8-18(9-5-16)26(13-3-12-22)32(2,29)30/h4-11,15H,3,13-14H2,1-2H3,(H,24,27)(H,25,28)/b23-15+"	COC1=CC=C(C=C1)NC(=O)CC(=O)N/N=C/C2=CC=C(C=C2)N(CCC#N)S(=O)(=O)C	QOJYIHLPYYOQDO-HZHRSRAPSA-N
DG63911	"N-(5,6-diphenyl-1,2,4-triazin-3-yl)-4-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide"	9555833	"NSC640636; CHEMBL1999405; ZINC104290017; NSC-640636; Benzenesulfonic acid, 4-methyl-, 1-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-[(1E,2E)-3-phenyl-2-propenylidene]hydrazide; N-(5,6-diphenyl-1,2,4-triazin-3-yl)-4-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640636	.	.	.	.	531.6	C31H25N5O2S	96.8	892	6	39	0	7	8	"InChI=1S/C31H25N5O2S/c1-24-19-21-28(22-20-24)39(37,38)36(32-23-11-14-25-12-5-2-6-13-25)31-33-29(26-15-7-3-8-16-26)30(34-35-31)27-17-9-4-10-18-27/h2-23H,1H3/b14-11+,32-23+"	CC1=CC=C(C=C1)S(=O)(=O)N(C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)/N=C/C=C/C5=CC=CC=C5	CFXWVTWKHHLPGS-WEWOMUTJSA-N
DG63912	N-[(E)-1-[2-[5-[(E)-N-anilino-C-methyl-carbonimidoyl]-4-methyl-thiazol-2-yl]-4-methyl-thiazol-5-yl]ethylideneamino]aniline	9555852	"NSC642071; CHEMBL1971002; ZINC17211657; AKOS024423241; NSC-642071; 4,4'-DIMETHYL-5,5'-BIS((E)-1-(2-PHENYLHYDRAZONO)ETHYL)-2,2'-BITHIAZOLE; Ethanone, 1,1'-(4,4'-dimethyl[2,2'-bithiazole]-5,5'-diyl)bis-, bis(phenylhydrazone), (1E,1'E)-; N-[(E)-1-[2-[5-[(E)-N-anilino-C-methyl-carbonimidoyl]-4-methyl-thiazol-2-yl]-4-methyl-thiazol-5-yl]ethylideneamino]aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642071	.	.	.	.	460.6	C24H24N6S2	131	603	6.8	32	2	8	7	"InChI=1S/C24H24N6S2/c1-15-21(17(3)27-29-19-11-7-5-8-12-19)31-23(25-15)24-26-16(2)22(32-24)18(4)28-30-20-13-9-6-10-14-20/h5-14,29-30H,1-4H3/b27-17+,28-18+"	CC1=C(SC(=N1)C2=NC(=C(S2)/C(=N/NC3=CC=CC=C3)/C)C)/C(=N/NC4=CC=CC=C4)/C	LRXLIASYQGTLOH-XUIWWLCJSA-N
DG63913	"(2Z)-N-(2-cyanophenyl)-2-[(4-nitrophenyl)hydrazono]-2-(2,4,6-trioxohexahydropyrimidin-5-yl)acetamide"	9555876	"NSC646382; CHEMBL1967447; ZINC16958016; NSC-646382; (2Z)-N-(2-cyanophenyl)-2-[(4-nitrophenyl)hydrazono]-2-(2,4,6-trioxohexahydropyrimidin-5-yl)acetamide; N-(2-Cyanophenyl)-2-((4-(hydroxy(oxido)amino)phenyl)hydrazono)-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646382	.	.	.	.	435.3	C19H13N7O6	198	860	2.6	32	4	9	5	"InChI=1S/C19H13N7O6/c20-9-10-3-1-2-4-13(10)21-18(29)15(14-16(27)22-19(30)23-17(14)28)25-24-11-5-7-12(8-6-11)26(31)32/h1-8,14,24H,(H,21,29)(H2,22,23,27,28,30)/b25-15-"	C1=CC=C(C(=C1)C#N)NC(=O)/C(=N\\NC2=CC=C(C=C2)[N+](=O)[O-])/C3C(=O)NC(=O)NC3=O	WAFQHDTXVORHPL-MYYYXRDXSA-N
DG63914	"N-[(E)-[4,5-bis(2-chlorophenyl)-3-nitro-2-furyl]methyleneamino]-4-methyl-benzenesulfonamide"	9555882	"NSC647122; CHEMBL1979566; ZINC5824140; NSC-647122; N'-{(1E)-[4,5-Bis(2-chlorophenyl)-3-nitro-2-furyl]methylene}-4-methylbenzenesulfonohydrazide; N-[(E)-[4,5-bis(2-chlorophenyl)-3-nitro-2-furyl]methyleneamino]-4-methyl-benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647122	.	.	.	.	530.4	C24H17Cl2N3O5S	126	856	6.7	35	1	7	6	"InChI=1S/C24H17Cl2N3O5S/c1-15-10-12-16(13-11-15)35(32,33)28-27-14-21-23(29(30)31)22(17-6-2-4-8-19(17)25)24(34-21)18-7-3-5-9-20(18)26/h2-14,28H,1H3/b27-14+"	CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=C(C(=C(O2)C3=CC=CC=C3Cl)C4=CC=CC=C4Cl)[N+](=O)[O-]	CQDNVKPMJNYADB-MZJWZYIUSA-N
DG63915	"N-[(E)-[4,5-bis(1,3-benzodioxol-5-yl)-3-nitro-2-furyl]methyleneamino]aniline"	9555889	"NSC647257; CHEMBL1964974; SCHEMBL16606140; SCHEMBL18400471; ZINC5824199; NSC-647257; 4,5-Bis(1,3-benzodioxol-5-yl)-3-nitro-2-furaldehyde phenylhydrazone; N-[(E)-[4,5-bis(1,3-benzodioxol-5-yl)-3-nitro-2-furyl]methyleneamino]aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647257	.	.	.	.	471.4	C25H17N3O7	120	773	5.7	35	1	9	5	"InChI=1S/C25H17N3O7/c29-28(30)24-22(12-26-27-17-4-2-1-3-5-17)35-25(16-7-9-19-21(11-16)34-14-32-19)23(24)15-6-8-18-20(10-15)33-13-31-18/h1-12,27H,13-14H2/b26-12+"	C1OC2=C(O1)C=C(C=C2)C3=C(OC(=C3[N+](=O)[O-])/C=N/NC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6	KGUAPQNIHXQLAW-RPPGKUMJSA-N
DG63916	"2-[(2E)-2-[[4,5-bis(3,4-dimethoxyphenyl)-3-nitro-2-furyl]methylene]hydrazino]allyl-trimethyl-ammonium"	9555890	"NSC647260; CHEMBL1988887; NSC-647260; 2-((2E)-2-{[4,5-Bis(3,4-dimethoxyphenyl)-3-nitro-2-furyl]methylene}hydrazino)-N,N,N-trimethylprop-2-en-1-aminium chloride; 2-[(2E)-2-[[4,5-bis(3,4-dimethoxyphenyl)-3-nitro-2-furyl]methylene]hydrazino]allyl-trimethyl-ammonium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647260	.	.	.	.	561	C27H33ClN4O7	120	814	.	39	1	10	11	"InChI=1S/C27H33N4O7.ClH/c1-17(16-31(2,3)4)29-28-15-24-26(30(32)33)25(18-9-11-20(34-5)22(13-18)36-7)27(38-24)19-10-12-21(35-6)23(14-19)37-8;/h9-15,29H,1,16H2,2-8H3;1H/q+1;/p-1/b28-15+;"	C[N+](C)(C)CC(=C)N/N=C/C1=C(C(=C(O1)C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC)[N+](=O)[O-].[Cl-]	GHCHRNKZPGRXRX-JVIVJJPTSA-M
DG63917	"N-[(E)-[4,5-bis(2-chlorophenyl)-2-furyl]methyleneamino]pyridine-4-carboxamide"	9555893	"NSC647263; CHEMBL1986368; ZINC5824205; NSC-647263; Isonicotinic acid, (4,5-bis(2-chlorophenyl)-2-furfurylidene)hydrazide; N-[(E)-[4,5-bis(2-chlorophenyl)-2-furyl]methyleneamino]pyridine-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647263	.	.	.	.	436.3	C23H15Cl2N3O2	67.5	599	5.7	30	1	4	5	"InChI=1S/C23H15Cl2N3O2/c24-20-7-3-1-5-17(20)19-13-16(30-22(19)18-6-2-4-8-21(18)25)14-27-28-23(29)15-9-11-26-12-10-15/h1-14H,(H,28,29)/b27-14+"	C1=CC=C(C(=C1)C2=C(OC(=C2)/C=N/NC(=O)C3=CC=NC=C3)C4=CC=CC=C4Cl)Cl	XDKREKTVUNWKHY-MZJWZYIUSA-N
DG63918	"Furazan-3-carboxaldehyde, 4-methyl-, (phenylsulfonyl)hydra-zone, 5-oxide"	9555896	"NSC647714; CHEMBL1970915; ZINC17215623; Furazan-3-carboxaldehyde, 4-methyl-, (phenylsulfonyl)hydra- zone, 5-oxide; NSC-647714; Furazan-3-carboxaldehyde, (phenylsulfonyl)hydra- zone, 5-oxide; N'-((4-Methyl-5-oxido-4,5-dihydro-1,2,5-oxadiazol-3-yl)methylene)benzenesulfonohydrazide; N-[(E)-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methyleneamino]benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647714	.	.	.	.	282.28	C10H10N4O4S	118	416	1.3	19	1	7	4	"InChI=1S/C10H10N4O4S/c1-8-10(12-18-14(8)15)7-11-13-19(16,17)9-5-3-2-4-6-9/h2-7,13H,1H3/b11-7+"	CC1=[N+](ON=C1/C=N/NS(=O)(=O)C2=CC=CC=C2)[O-]	RKIBFIWUSZXGCO-YRNVUSSQSA-N
DG63919	"2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-N'-(4-(hydroxy(oxido)amino)benzylidene)-3-methylbutanohydrazide"	9555906	"NSC650814; CHEMBL1974576; NSC-650814; 2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-N'-(4-(hydroxy(oxido)amino)benzylidene)-3-methylbutanohydrazide; 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-methyl-N-[(E)-(4-nitrophenyl)methyleneamino]butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650814	.	.	.	.	499.6	C27H25N5O3S	141	740	6.4	36	2	6	8	"InChI=1S/C27H25N5O3S/c1-18(2)25(26(33)31-28-17-19-13-15-22(16-14-19)32(34)35)36-27-29-23(20-9-5-3-6-10-20)24(30-27)21-11-7-4-8-12-21/h3-18,25H,1-2H3,(H,29,30)(H,31,33)/b28-17+"	CC(C)C(C(=O)N/N=C/C1=CC=C(C=C1)[N+](=O)[O-])SC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4	GOFSCAUHNXGMPD-OGLMXYFKSA-N
DG63920	"N'-(4-Chlorobenzylidene)-2-((4,5-diphenyl-1H-imidazol-2-yl)thio)-3-methylbutanohydrazide"	9555907	"NSC650815; CHEMBL1982417; NSC-650815; N'-(4-Chlorobenzylidene)-2-((4,5-diphenyl-1H-imidazol-2-yl)thio)-3-methylbutanohydrazide; N-[(E)-(4-chlorophenyl)methyleneamino]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-methyl-butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650815	.	.	.	.	489	C27H25ClN4OS	95.4	657	7.2	34	2	4	8	"InChI=1S/C27H25ClN4OS/c1-18(2)25(26(33)32-29-17-19-13-15-22(28)16-14-19)34-27-30-23(20-9-5-3-6-10-20)24(31-27)21-11-7-4-8-12-21/h3-18,25H,1-2H3,(H,30,31)(H,32,33)/b29-17+"	CC(C)C(C(=O)N/N=C/C1=CC=C(C=C1)Cl)SC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4	FJTSPNNKJFEJEL-STBIYBPSSA-N
DG63921	(1Z)-1-diisopropoxyphosphoryl-N-(4-nitrophenyl)methanehydrazonoyl chloride	9555908	NSC652137; CHEMBL1973508; NSC-652137; Diisopropyl chloro-4-(hydroxy(oxido)amino)benzohydrazonoylphosphonate; (1Z)-1-diisopropoxyphosphoryl-N-(4-nitrophenyl)methanehydrazonoyl chloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652137	.	.	.	.	363.73	C13H19ClN3O5P	106	459	4.4	23	1	7	7	"InChI=1S/C13H19ClN3O5P/c1-9(2)21-23(20,22-10(3)4)13(14)16-15-11-5-7-12(8-6-11)17(18)19/h5-10,15H,1-4H3/b16-13+"	CC(C)OP(=O)(/C(=N/NC1=CC=C(C=C1)[N+](=O)[O-])/Cl)OC(C)C	QOKQRXXZPBPCKX-DTQAZKPQSA-N
DG63922	"4-Chlorobenzaldehyde (7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone"	9555913	"NSC653512; CHEMBL1981894; NSC-653512; 4-Chlorobenzaldehyde (7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone; N-[(E)-(4-chlorophenyl)methyleneamino]-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653512	.	.	.	.	356.9	C18H17ClN4S	78.4	454	5.8	24	1	5	3	"InChI=1S/C18H17ClN4S/c1-11-2-7-14-15(8-11)24-18-16(14)17(20-10-21-18)23-22-9-12-3-5-13(19)6-4-12/h3-6,9-11H,2,7-8H2,1H3,(H,20,21,23)/b22-9+"	CC1CCC2=C(C1)SC3=NC=NC(=C23)N/N=C/C4=CC=C(C=C4)Cl	SWYIRPDKBLMFEC-LSFURLLWSA-N
DG63923	"4-Pyridinecarbohydrazonic acid, N-[(1E)-[3-(trifluoromethyl)phenyl]methylene]-, methyl ester"	9555922	"NSC655509; CHEMBL2001155; NSC-655509; methyl (NE,4Z)-N-[[3-(trifluoromethyl)phenyl]methylene]pyridine-4-carbohydrazonate; 4-Pyridinecarbohydrazonic acid, N-[(1E)-[3-(trifluoromethyl)phenyl]methylene]-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655509	.	.	.	.	307.27	C15H12F3N3O	46.8	403	3.5	22	0	7	4	"InChI=1S/C15H12F3N3O/c1-22-14(12-5-7-19-8-6-12)21-20-10-11-3-2-4-13(9-11)15(16,17)18/h2-10H,1H3/b20-10+,21-14-"	CO/C(=N\\N=C\\C1=CC(=CC=C1)C(F)(F)F)/C2=CC=NC=C2	YONVHTJZFTZPJS-XAMHROORSA-N
DG63924	4-chloro-N-methyl-2-nitro-N-[(E)-2-thienylmethyleneamino]aniline	9555937	NSC658009; CHEMBL1973202; NSC-658009; 4-chloro-N-methyl-2-nitro-N-[(E)-2-thienylmethyleneamino]aniline; 2-Thiophenecarbaldehyde (4-chloro-2-(hydroxy(oxido)amino)phenyl)(methyl)hydrazone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658009	.	.	.	.	295.75	C12H10ClN3O2S	89.7	350	4.1	19	0	5	3	"InChI=1S/C12H10ClN3O2S/c1-15(14-8-10-3-2-6-19-10)11-5-4-9(13)7-12(11)16(17)18/h2-8H,1H3/b14-8+"	CN(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])/N=C/C2=CC=CS2	OPRXYNAMDXRDDE-RIYZIHGNSA-N
DG63925	"N'-carbazol-9-yl-N,N-dimethyl-formamidine"	9556163	"NSC664947; CHEMBL1997406; NSC-664947; N'-carbazol-9-yl-N,N-dimethyl-formamidine; N'-(9H-Carbazol-9-yl)-N,N-dimethylimidoformamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664947	.	.	.	.	237.3	C15H15N3	20.5	291	3.4	18	0	1	2	"InChI=1S/C15H15N3/c1-17(2)11-16-18-14-9-5-3-7-12(14)13-8-4-6-10-15(13)18/h3-11H,1-2H3/b16-11+"	CN(C)/C=N/N1C2=CC=CC=C2C3=CC=CC=C31	ZMZQESQRPVVTKB-LFIBNONCSA-N
DG63926	"N-(3,4-dichlorophenyl)-4-[(2E)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide"	9556166	NSC666977; CHEMBL1972951; NSC-666977	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666977	.	.	.	.	485.1	C19H13Cl4N5O2	95	772	5.2	30	3	3	5	"InChI=1S/C19H13Cl4N5O2/c1-9-16(18(29)26-11-3-5-13(21)15(23)7-11)17(27-19(30)25-9)28-24-8-10-2-4-12(20)14(22)6-10/h2-8H,1H3,(H,26,29)(H2,25,27,28,30)/b24-8+"	CC1=C(C(=NC(=O)N1)N/N=C/C2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC(=C(C=C3)Cl)Cl	DUOXYBJYDNDANW-KTZMUZOWSA-N
DG63927	NSC669020	9556167	"N-[(E)-(2-methoxyphenyl)methylideneamino]-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaen-5-amine; NSC669020; CHEMBL1985614; NSC-669020; N-[(E)-(2-methoxyphenyl)methyleneamino][ ]amine; 2-Methoxybenzaldehyde benzo[h][1,2,4]triazino[5,6-f]quinolin-3-ylhydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669020	.	.	.	.	380.4	C22H16N6O	85.2	574	3.1	29	1	7	4	"InChI=1S/C22H16N6O/c1-29-18-11-5-2-7-14(18)13-24-27-22-25-20-17-10-6-12-23-19(17)15-8-3-4-9-16(15)21(20)26-28-22/h2-13H,1H3,(H,25,27,28)/b24-13+"	COC1=CC=CC=C1/C=N/NC2=NC3=C(C4=CC=CC=C4C5=C3C=CC=N5)N=N2	ZABCSDGWSVEAJI-ZMOGYAJESA-N
DG63928	"[5'-[(E)-hydroxyiminomethyl]-2,2'-spirobi[1,3-dihydroindene]-5-yl]methanol"	9556171	"NSC670425; CHEMBL1999259; NSC-670425; (5'E)-5-(hydroxymethyl)-2,2'-spirobi[indane]-5'-carbaldehyde oxime; 2,2'-Spirobi[2H-indene]-5-carboxaldehyde, 1,1',3,3'-tetrahydro-5'-(hydroxymethyl)-, oxime"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670425	.	.	.	.	293.4	C19H19NO2	52.8	437	3.2	22	2	3	2	"InChI=1S/C19H19NO2/c21-12-14-2-4-16-8-19(10-18(16)6-14)7-15-3-1-13(11-20-22)5-17(15)9-19/h1-6,11,21-22H,7-10,12H2/b20-11+"	C1C2=C(CC13CC4=C(C3)C=C(C=C4)/C=N/O)C=C(C=C2)CO	CHDRZHBBGGMLPG-RGVLZGJSSA-N
DG63929	"3-[(E)-[(4Z,5Z)-3-phenyl-4,5-bis(phenylimino)-2-thioxo-imidazolidin-1-yl]iminomethyl]chromen-2-one"	9556177	"NSC671408; CHEMBL1988166; ZINC104311708; ZINC104311712; ZINC104311715; ZINC104311720; NSC-671408; 2H-1-Benzopyran-2-one, 3-[(E)-[[(4Z,5Z)-3-phenyl-4,5-bis(phenylimino)-2-thioxo-1-imidazolidinyl]imino]methyl]-; 3-[(E)-[(4Z,5Z)-3-phenyl-4,5-bis(phenylimino)-2-thioxo-imidazolidin-1-yl]iminomethyl]chromen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671408	.	.	.	.	527.6	C31H21N5O2S	102	1030	7.1	39	0	6	5	"InChI=1S/C31H21N5O2S/c37-30-23(20-22-12-10-11-19-27(22)38-30)21-32-36-29(34-25-15-6-2-7-16-25)28(33-24-13-4-1-5-14-24)35(31(36)39)26-17-8-3-9-18-26/h1-21H/b32-21+,33-28 ,34-29 "	C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)N(C(=S)N2C4=CC=CC=C4)/N=C/C5=CC6=CC=CC=C6OC5=O	FSDBHZYYZJONEK-PYTNSIDASA-N
DG63930	"N-(1-(((3,4-Dichloroanilino)carbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethoxy)-2-methylpropanimidoyl chloride"	9556182	"NSC671971; CHEMBL1998440; NSC-671971; (1Z)-N-[1-[(3,4-dichlorophenyl)carbamoylamino]-2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-2-methyl-propanimidoyl chloride; N-(1-(((3,4-Dichloroanilino)carbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethoxy)-2-methylpropanimidoyl chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671971	.	.	.	.	474.6	C14H12Cl3F6N3O2	62.7	572	6.6	28	2	9	5	"InChI=1S/C14H12Cl3F6N3O2/c1-6(2)10(17)26-28-12(13(18,19)20,14(21,22)23)25-11(27)24-7-3-4-8(15)9(16)5-7/h3-6H,1-2H3,(H2,24,25,27)/b26-10-"	CC(C)/C(=N/OC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=CC(=C(C=C1)Cl)Cl)/Cl	QGYVDWPILQOUST-KALUYTGESA-N
DG63931	N-(((4-Fluoroanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride	9556188	NSC672045; ZINC73113832; N-(((4-Fluoroanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride; [(Z)-(1-chloro-2-methyl-propylidene)amino] N-(4-fluorophenyl)carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672045	.	.	.	.	258.67	C11H12ClFN2O2	50.7	289	3.7	17	1	4	4	"InChI=1S/C11H12ClFN2O2/c1-7(2)10(12)15-17-11(16)14-9-5-3-8(13)4-6-9/h3-7H,1-2H3,(H,14,16)/b15-10-"	CC(C)/C(=N/OC(=O)NC1=CC=C(C=C1)F)/Cl	BPTQFEISWMIPEQ-GDNBJRDFSA-N
DG63932	N-(((4-(Aminosulfonyl)anilino)carbonyl)oxy)-2-methylpropanimidoyl chloride	9556194	NSC672051; ZINC73173779; [(Z)-(1-chloro-2-methyl-propylidene)amino] N-(4-sulfamoylphenyl)carbamate; N-(((4-(Aminosulfonyl)anilino)carbonyl)oxy)-2-methylpropanimidoyl chloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672051	.	.	.	.	319.77	C11H14ClN3O4S	119	465	2.1	20	2	6	5	"InChI=1S/C11H14ClN3O4S/c1-7(2)10(12)15-19-11(16)14-8-3-5-9(6-4-8)20(13,17)18/h3-7H,1-2H3,(H,14,16)(H2,13,17,18)/b15-10-"	CC(C)/C(=N/OC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)/Cl	DKAJMQRQZTWDRM-GDNBJRDFSA-N
DG63933	[(Z)-(1-chloro-2-methyl-propylidene)amino] N-[4-(trifluoromethoxy)phenyl]carbamate	9556199	NSC672056; CHEMBL1964440; NSC-672056; [(Z)-(1-chloro-2-methyl-propylidene)amino] N-[4-(trifluoromethoxy)phenyl]carbamate; N-(4-trifluoromethoxyphenyl)-o-(2-chloro-3-methyl-1-azabut-1-eN-1-yl)carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672056	.	.	.	.	324.68	C12H12ClF3N2O3	59.9	380	4.7	21	1	7	5	"InChI=1S/C12H12ClF3N2O3/c1-7(2)10(13)18-21-11(19)17-8-3-5-9(6-4-8)20-12(14,15)16/h3-7H,1-2H3,(H,17,19)/b18-10-"	CC(C)/C(=N/OC(=O)NC1=CC=C(C=C1)OC(F)(F)F)/Cl	ZTVMANIEPQFOCX-ZDLGFXPLSA-N
DG63934	N-(((2-Methoxy-5-(trifluoromethyl)anilino)carbonyl)oxy)butanimidoyl chloride	9556202	NSC672059; CHEMBL1979442; AKOS003320153; ZINC100228736; NSC-672059; [(Z)-1-chlorobutylideneamino] N-[2-methoxy-5-(trifluoromethyl)phenyl]carbamate; N-(((2-Methoxy-5-(trifluoromethyl)anilino)carbonyl)oxy)butanimidoyl chloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672059	.	.	.	.	338.71	C13H14ClF3N2O3	59.9	405	4.2	22	1	7	6	"InChI=1S/C13H14ClF3N2O3/c1-3-4-11(14)19-22-12(20)18-9-7-8(13(15,16)17)5-6-10(9)21-2/h5-7H,3-4H2,1-2H3,(H,18,20)/b19-11-"	CCC/C(=N/OC(=O)NC1=C(C=CC(=C1)C(F)(F)F)OC)/Cl	ZZHGIYUQMJULBM-ODLFYWEKSA-N
DG63935	5-Chloro-N-(3-((5-chloro-2-pyridinyl)imino)-1-propenyl)-2-pyridinamine	9556220	"NSC676473; CHEMBL1967482; ZINC18252307; ZINC104313303; NSC-676473; 5-Chloro-N-(3-((5-chloro-2-pyridinyl)imino)-1-propenyl)-2-pyridinamine; 5-chloro-N-[(E,3E)-3-[(5-chloro-2-pyridyl)imino]prop-1-enyl]pyridin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676473	.	.	.	.	293.15	C13H10Cl2N4	50.2	322	3.1	19	1	4	4	"InChI=1S/C13H10Cl2N4/c14-10-2-4-12(18-8-10)16-6-1-7-17-13-5-3-11(15)9-19-13/h1-9H,(H,16,18)/b6-1+,17-7 "	C1=CC(=NC=C1Cl)N/C=C/C=NC2=NC=C(C=C2)Cl	QQOYEDBNQKVVDM-QEGNHXSSSA-N
DG63936	"3-ethyl-4-[(E)-p-tolylmethyleneamino]-1H-1,2,4-triazol-5-one"	9556228	"NSC680863; CHEMBL1969316; ZINC31870776; NSC-680863; 3-ethyl-4-[(E)-p-tolylmethyleneamino]-1H-1,2,4-triazol-5-one; 3H-1,2,4-Triazol-3-one, 5-ethyl-2,4-dihydro-4-[[(1E)-(4-methylphenyl)methylene]amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680863	.	.	.	.	230.27	C12H14N4O	57.1	342	1.8	17	1	3	3	"InChI=1S/C12H14N4O/c1-3-11-14-15-12(17)16(11)13-8-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,15,17)/b13-8+"	CCC1=NNC(=O)N1/N=C/C2=CC=C(C=C2)C	VEOAWUOCQUFUTB-MDWZMJQESA-N
DG63937	"5-amino-1-[(E)-benzylideneamino]-2-phenyl-2H-pyrrole-3,3,4-tricarbonitrile"	9556239	"NSC681761; CHEMBL1972703; STL325708; AKOS022133104; NSC-681761; 5-Amino-1-(benzylideneamino)-2-phenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile; 5-amino-1-[(E)-benzylideneamino]-2-phenyl-2H-pyrrole-3,3,4-tricarbonitrile; 5-amino-2-phenyl-1-{[(E)-phenylmethylidene]amino}-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile; 88078-21-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681761	.	.	.	.	338.4	C20H14N6	113	723	2.8	26	1	6	3	"InChI=1S/C20H14N6/c21-11-17-19(24)26(25-12-15-7-3-1-4-8-15)18(20(17,13-22)14-23)16-9-5-2-6-10-16/h1-10,12,18H,24H2/b25-12+"	C1=CC=C(C=C1)/C=N/N2C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=CC=C3	AUBYSFDBSAOOQJ-BRJLIKDPSA-N
DG63938	"3-(Dimethylhydrazono)-5-methyl-1,1,2,2-cyclopentanetetracarbonitrile"	9556242	"NSC681861; CHEMBL1992688; AKOS030505816; NSC-681861; (3E)-3-(dimethylhydrazono)-5-methyl-cyclopentane-1,1,2,2-tetracarbonitrile; 3-(Dimethylhydrazono)-5-methyl-1,1,2,2-cyclopentanetetracarbonitrile; Cyclopentane-1,2-tetracarbonitrile, 3-methyl- 5-(dimethylhydrazono)-; 154141-62-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681861	.	.	.	.	240.26	C12H12N6	111	558	0.5	18	0	6	1	"InChI=1S/C12H12N6/c1-9-4-10(17-18(2)3)12(7-15,8-16)11(9,5-13)6-14/h9H,4H2,1-3H3/b17-10+"	CC1C/C(=N\\N(C)C)/C(C1(C#N)C#N)(C#N)C#N	ARQPVZOOZHAUMO-LICLKQGHSA-N
DG63939	2-Methyl-N-((3-toluidinocarbonyl)oxy)propanimidoyl chloride	9556244	"NSC682821; CHEMBL2001158; ZINC100228920; NSC-682821; 2-Methyl-N-((3-toluidinocarbonyl)oxy)propanimidoyl chloride; [(Z)-(1-chloro-2-methyl-propylidene)amino] N-(m-tolyl)carbamate; Propanimidoyl chloride, 2-methyl-N-[[[(3-methylphenyl) amino]carbonyl]oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682821	.	.	.	.	254.71	C12H15ClN2O2	50.7	292	4.3	17	1	3	4	"InChI=1S/C12H15ClN2O2/c1-8(2)11(13)15-17-12(16)14-10-6-4-5-9(3)7-10/h4-8H,1-3H3,(H,14,16)/b15-11-"	CC1=CC(=CC=C1)NC(=O)O/N=C(/C(C)C)\\Cl	JDHTWBLVIOBGGM-PTNGSMBKSA-N
DG63940	2-Methyl-N-((2-toluidinocarbonyl)oxy)propanimidoyl chloride	9556245	"NSC682822; CHEMBL1982565; NSC-682822; 2-Methyl-N-((2-toluidinocarbonyl)oxy)propanimidoyl chloride; [(Z)-(1-chloro-2-methyl-propylidene)amino] N-(o-tolyl)carbamate; Propanimidoyl chloride, 2-methyl-N-[[[(2-methylphenyl) amino]carbonyl]oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682822	.	.	.	.	254.71	C12H15ClN2O2	50.7	292	3.8	17	1	3	4	"InChI=1S/C12H15ClN2O2/c1-8(2)11(13)15-17-12(16)14-10-7-5-4-6-9(10)3/h4-8H,1-3H3,(H,14,16)/b15-11-"	CC1=CC=CC=C1NC(=O)O/N=C(/C(C)C)\\Cl	IMQRTBJMEAJDOI-PTNGSMBKSA-N
DG63941	"N-(((3,4-Dichloroanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride"	9556246	"NSC682823; CHEMBL1975157; ZINC97956082; NSC-682823; N-(((3,4-Dichloroanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride; Propanimidoyl chloride,4-dichlorophenyl)amino] carbonyl]oxy]-2-methyl-; [(Z)-(1-chloro-2-methyl-propylidene)amino] N-(3,4-dichlorophenyl)carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682823	.	.	.	.	309.6	C11H11Cl3N2O2	50.7	323	5.6	18	1	3	4	"InChI=1S/C11H11Cl3N2O2/c1-6(2)10(14)16-18-11(17)15-7-3-4-8(12)9(13)5-7/h3-6H,1-2H3,(H,15,17)/b16-10-"	CC(C)/C(=N/OC(=O)NC1=CC(=C(C=C1)Cl)Cl)/Cl	YSIAAVBFFUMJIS-YBEGLDIGSA-N
DG63942	N-(((3-Chloro-4-fluoroanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride	9556247	"NSC682824; CHEMBL1977996; NSC-682824; N-(((3-Chloro-4-fluoroanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride; [(Z)-(1-chloro-2-methyl-propylidene)amino] N-(3-chloro-4-fluoro-phenyl)carbamate; Propanimidoyl chloride, N-[[[(3-chloro-4-fluorophenyl) amino]carbonyl]oxy]-2-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682824	.	.	.	.	293.12	C11H11Cl2FN2O2	50.7	326	4.3	18	1	4	4	"InChI=1S/C11H11Cl2FN2O2/c1-6(2)10(13)16-18-11(17)15-7-3-4-9(14)8(12)5-7/h3-6H,1-2H3,(H,15,17)/b16-10-"	CC(C)/C(=N/OC(=O)NC1=CC(=C(C=C1)F)Cl)/Cl	JOUSUXBSQKEFDO-YBEGLDIGSA-N
DG63943	N-(((4-Bromoanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride	9556248	"NSC682825; CHEMBL1991427; NSC-682825; N-(((4-Bromoanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride; [(Z)-(1-chloro-2-methyl-propylidene)amino] N-(4-bromophenyl)carbamate; Propanimidoyl chloride, N-[[[(4-bromophenyl)amino] carbonyl]oxy]-2-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682825	.	.	.	.	319.58	C11H12BrClN2O2	50.7	289	4.3	17	1	3	4	"InChI=1S/C11H12BrClN2O2/c1-7(2)10(13)15-17-11(16)14-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H,14,16)/b15-10-"	CC(C)/C(=N/OC(=O)NC1=CC=C(C=C1)Br)/Cl	SBRHCMDMRTVYMD-GDNBJRDFSA-N
DG63944	N-(((4-Methoxy-3-methylanilino)carbonyl)oxy)propanimidoyl chloride	9556249	NSC682826; N-(((4-Methoxy-3-methylanilino)carbonyl)oxy)propanimidoyl chloride; [(Z)-1-chloropropylideneamino] N-(4-methoxy-3-methyl-phenyl)carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682826	.	.	.	.	270.71	C12H15ClN2O3	59.9	310	3.3	18	1	4	5	"InChI=1S/C12H15ClN2O3/c1-4-11(13)15-18-12(16)14-9-5-6-10(17-3)8(2)7-9/h5-7H,4H2,1-3H3,(H,14,16)/b15-11-"	CC/C(=N/OC(=O)NC1=CC(=C(C=C1)OC)C)/Cl	BQQRRAPKJQAAEF-PTNGSMBKSA-N
DG63945	"Propanimidoyl chloride, 2-methyl-N-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]oxy]-"	9556250	"NSC682827; CHEMBL1968539; ZINC100080060; NSC-682827; [(Z)-(1-chloro-2-methyl-propylidene)amino] N-[3-(trifluoromethyl)phenyl]carbamate; 2-Methyl-N-(((3-(trifluoromethyl)anilino)carbonyl)oxy)propanimidoyl chloride; Propanimidoyl chloride, 2-methyl- N-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682827	.	.	.	.	308.68	C12H12ClF3N2O2	50.7	372	4.8	20	1	6	4	"InChI=1S/C12H12ClF3N2O2/c1-7(2)10(13)18-20-11(19)17-9-5-3-4-8(6-9)12(14,15)16/h3-7H,1-2H3,(H,17,19)/b18-10-"	CC(C)/C(=N/OC(=O)NC1=CC=CC(=C1)C(F)(F)F)/Cl	SBOFGAVSIVHESL-ZDLGFXPLSA-N
DG63946	N-(((4-Fluoroanilino)carbonyl)oxy)butanimidoyl chloride	9556251	NSC682828; ZINC73370915; N-(((4-Fluoroanilino)carbonyl)oxy)butanimidoyl chloride; [(Z)-1-chlorobutylideneamino] N-(4-fluorophenyl)carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682828	.	.	.	.	258.67	C11H12ClFN2O2	50.7	279	3.5	17	1	4	5	"InChI=1S/C11H12ClFN2O2/c1-2-3-10(12)15-17-11(16)14-9-6-4-8(13)5-7-9/h4-7H,2-3H2,1H3,(H,14,16)/b15-10-"	CCC/C(=N/OC(=O)NC1=CC=C(C=C1)F)/Cl	OQUACCLBOWIBQX-GDNBJRDFSA-N
DG63947	Methyl 4-(((((1-chloro-2-methylpropylidene)amino)oxy)carbonyl)amino)benzoate	9556252	"NSC682829; CHEMBL1979269; NSC-682829; Methyl 4-(((((1-chloro-2-methylpropylidene)amino)oxy)carbonyl)amino)benzoate; methyl 4-[[(Z)-(1-chloro-2-methyl-propylidene)amino]oxycarbonylamino]benzoate; Propanimidoyl chloride, 2-methyl-N-[[[[4-(methoxy- carbonyl)phenyl]amino]carbonyl]oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682829	.	.	.	.	298.72	C13H15ClN2O4	77	377	3.4	20	1	5	6	"InChI=1S/C13H15ClN2O4/c1-8(2)11(14)16-20-13(18)15-10-6-4-9(5-7-10)12(17)19-3/h4-8H,1-3H3,(H,15,18)/b16-11-"	CC(C)/C(=N/OC(=O)NC1=CC=C(C=C1)C(=O)OC)/Cl	OTPODGQXPCDHKS-WJDWOHSUSA-N
DG63948	N-(((3-Fluoroanilino)carbonyl)oxy)butanimidoyl chloride	9556253	"NSC682831; 317840-35-0; N-(((3-Fluoroanilino)carbonyl)oxy)butanimidoyl chloride; N-{[(3-fluoroanilino)carbonyl]oxy}butanimidoyl chloride; [(Z)-1-chlorobutylideneamino] N-(3-fluorophenyl)carbamate; CHEMBL2007615; MFCD00446318; AKOS003310939; ZINC100162864; NSC-682831; Butanimidoyl chloride, N-[[[(3-fluorophenyl)amino] carbonyl]oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682831	.	.	.	.	258.67	C11H12ClFN2O2	50.7	287	3.5	17	1	4	5	"InChI=1S/C11H12ClFN2O2/c1-2-4-10(12)15-17-11(16)14-9-6-3-5-8(13)7-9/h3,5-7H,2,4H2,1H3,(H,14,16)/b15-10-"	CCC/C(=N/OC(=O)NC1=CC(=CC=C1)F)/Cl	VHYKGGYZKOXRQT-GDNBJRDFSA-N
DG63949	N-(((4-Methoxyanilino)carbonyl)oxy)propanimidoyl chloride	9556255	NSC682833; ZINC73315234; AKOS003320034; N-(((4-Methoxyanilino)carbonyl)oxy)propanimidoyl chloride; [(Z)-1-chloropropylideneamino] N-(4-methoxyphenyl)carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682833	.	.	.	.	256.68	C11H13ClN2O3	59.9	276	3	17	1	4	5	"InChI=1S/C11H13ClN2O3/c1-3-10(12)14-17-11(15)13-8-4-6-9(16-2)7-5-8/h4-7H,3H2,1-2H3,(H,13,15)/b14-10-"	CC/C(=N/OC(=O)NC1=CC=C(C=C1)OC)/Cl	VEEMNYFRFIZRPA-UVTDQMKNSA-N
DG63950	"N-(((2,4-Difluoroanilino)carbonyl)oxy)propanimidoyl chloride"	9556256	"NSC682834; ZINC73330958; AKOS003318011; [(Z)-1-chloropropylideneamino] N-(2,4-difluorophenyl)carbamate; N-(((2,4-Difluoroanilino)carbonyl)oxy)propanimidoyl chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682834	.	.	.	.	262.64	C10H9ClF2N2O2	50.7	302	3.2	17	1	5	4	"InChI=1S/C10H9ClF2N2O2/c1-2-9(11)15-17-10(16)14-8-4-3-6(12)5-7(8)13/h3-5H,2H2,1H3,(H,14,16)/b15-9-"	CC/C(=N/OC(=O)NC1=C(C=C(C=C1)F)F)/Cl	XCFSXBDWACVBHR-DHDCSXOGSA-N
DG63951	N-(((5-Fluoro-2-methylanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride	9556257	"NSC682835; N-(((5-Fluoro-2-methylanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride; N-{[(5-fluoro-2-methylanilino)carbonyl]oxy}-2-methylpropanimidoyl chloride; CHEMBL2003300; AKOS003318013; NSC-682835; AG-389/32207013; [(Z)-(1-chloro-2-methyl-propylidene)amino] N-(5-fluoro-2-methyl-phenyl)carbamate; Propanimidoyl chloride, N-[[[(5-fluoro-2-methylphenyl) amino]carbonyl]oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682835	.	.	.	.	272.7	C12H14ClFN2O2	50.7	323	4	18	1	4	4	"InChI=1S/C12H14ClFN2O2/c1-7(2)11(13)16-18-12(17)15-10-6-9(14)5-4-8(10)3/h4-7H,1-3H3,(H,15,17)/b16-11-"	CC1=C(C=C(C=C1)F)NC(=O)O/N=C(/C(C)C)\\Cl	IPWGXHOJRNOZAV-WJDWOHSUSA-N
DG63952	N-(((2-(Trifluoromethoxy)anilino)carbonyl)oxy)propanimidoyl chloride	9556258	NSC682836; N-(((2-(Trifluoromethoxy)anilino)carbonyl)oxy)propanimidoyl chloride; [(Z)-1-chloropropylideneamino] N-[2-(trifluoromethoxy)phenyl]carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682836	.	.	.	.	310.65	C11H10ClF3N2O3	59.9	363	4.2	20	1	7	5	"InChI=1S/C11H10ClF3N2O3/c1-2-9(12)17-20-10(18)16-7-5-3-4-6-8(7)19-11(13,14)15/h3-6H,2H2,1H3,(H,16,18)/b17-9-"	CC/C(=N/OC(=O)NC1=CC=CC=C1OC(F)(F)F)/Cl	SCUXNDZQBZNNKT-MFOYZWKCSA-N
DG63953	N-(((5-Chloro-2-methoxyanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride	9556260	"NSC682838; CHEMBL1995271; AKOS003318198; NSC-682838; N-(((5-Chloro-2-methoxyanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride; [(Z)-(1-chloro-2-methyl-propylidene)amino] N-(5-chloro-2-methoxy-phenyl)carbamate; Propanimidoyl chloride, N-[[[(5-chloro-2-methoxyphenyl) amino]carbonyl]oxy]-2-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682838	.	.	.	.	305.15	C12H14Cl2N2O3	59.9	337	4.2	19	1	4	5	"InChI=1S/C12H14Cl2N2O3/c1-7(2)11(14)16-19-12(17)15-9-6-8(13)4-5-10(9)18-3/h4-7H,1-3H3,(H,15,17)/b16-11-"	CC(C)/C(=N/OC(=O)NC1=C(C=CC(=C1)Cl)OC)/Cl	SAERCGDIGOQNCX-WJDWOHSUSA-N
DG63954	N-(((2-Methoxy-5-(trifluoromethyl)anilino)carbonyl)oxy)-2-methylpropanimidoyl chloride	9556261	NSC682839; N-(((2-Methoxy-5-(trifluoromethyl)anilino)carbonyl)oxy)-2-methylpropanimidoyl chloride; N-({[2-methoxy-5-(trifluoromethyl)anilino]carbonyl}oxy)-2-methylpropanimidoyl chloride; ZINC73332572; AKOS003318200; AG-389/32208029; [(Z)-(1-chloro-2-methyl-propylidene)amino] N-[2-methoxy-5-(trifluoromethyl)phenyl]carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682839	.	.	.	.	338.71	C13H14ClF3N2O3	59.9	416	4.4	22	1	7	5	"InChI=1S/C13H14ClF3N2O3/c1-7(2)11(14)19-22-12(20)18-9-6-8(13(15,16)17)4-5-10(9)21-3/h4-7H,1-3H3,(H,18,20)/b19-11-"	CC(C)/C(=N/OC(=O)NC1=C(C=CC(=C1)C(F)(F)F)OC)/Cl	ZYQLQBDROPYYOL-ODLFYWEKSA-N
DG63955	N-(((4-(Trifluoromethoxy)anilino)carbonyl)oxy)butanimidoyl chloride	9556262	NSC682840; ZINC73258429; AKOS003320096; N-(((4-(Trifluoromethoxy)anilino)carbonyl)oxy)butanimidoyl chloride; [(Z)-1-chlorobutylideneamino] N-[4-(trifluoromethoxy)phenyl]carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682840	.	.	.	.	324.68	C12H12ClF3N2O3	59.9	369	4.5	21	1	7	6	"InChI=1S/C12H12ClF3N2O3/c1-2-3-10(13)18-21-11(19)17-8-4-6-9(7-5-8)20-12(14,15)16/h4-7H,2-3H2,1H3,(H,17,19)/b18-10-"	CCC/C(=N/OC(=O)NC1=CC=C(C=C1)OC(F)(F)F)/Cl	JSPBSPMWHACCLI-ZDLGFXPLSA-N
DG63956	3-Methyl-2-thiophenecarbaldehyde 2-pyridinylhydrazone	9556267	NSC683900; CHEMBL1971753; AKOS000985081; NSC-683900; 3-Methyl-2-thiophenecarbaldehyde 2-pyridinylhydrazone; N-[(E)-(3-methyl-2-thienyl)methyleneamino]pyridin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683900	.	.	.	.	217.29	C11H11N3S	65.5	220	3.2	15	1	4	3	"InChI=1S/C11H11N3S/c1-9-5-7-15-10(9)8-13-14-11-4-2-3-6-12-11/h2-8H,1H3,(H,12,14)/b13-8+"	CC1=C(SC=C1)/C=N/NC2=CC=CC=N2	NEICKWRBEAFLRB-MDWZMJQESA-N
DG63957	3-Methyl-2-thiophenecarbaldehyde 2-pyrimidinylhydrazone	9556268	NSC683901; CHEMBL1990063; NSC-683901; 3-Methyl-2-thiophenecarbaldehyde 2-pyrimidinylhydrazone; N-[(E)-(3-methyl-2-thienyl)methyleneamino]pyrimidin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683901	.	.	.	.	218.28	C10H10N4S	78.4	216	2.5	15	1	5	3	"InChI=1S/C10H10N4S/c1-8-3-6-15-9(8)7-13-14-10-11-4-2-5-12-10/h2-7H,1H3,(H,11,12,14)/b13-7+"	CC1=C(SC=C1)/C=N/NC2=NC=CC=N2	NUMRXTYTJYWACC-NTUHNPAUSA-N
DG63958	"2-Thiophenecarboxaldehyde, 3-methyl-, pyrazinylhydrazone"	9556269	"NSC683902; CHEMBL1973527; NSC-683902; 2-Thiophenecarboxaldehyde, 3-methyl-, pyrazinylhydrazone; N-[(E)-(3-methyl-2-thienyl)methyleneamino]pyrazin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683902	.	.	.	.	218.28	C10H10N4S	78.4	222	2.1	15	1	5	3	"InChI=1S/C10H10N4S/c1-8-2-5-15-9(8)6-13-14-10-7-11-3-4-12-10/h2-7H,1H3,(H,12,14)/b13-6+"	CC1=C(SC=C1)/C=N/NC2=NC=CN=C2	KAFSXAUEAFRYEE-AWNIVKPZSA-N
DG63959	"3-Methylthiophene-2-carbaldehyde 1,3-benzothiazol-2-ylhydrazone"	9556270	"NSC683903; 3-methylthiophene-2-carbaldehyde 1,3-benzothiazol-2-ylhydrazone; CHEMBL1965298; STK029050; AKOS001003771; NSC-683903; SR-01000102031; SR-01000102031-1; 3-Methyl-2-thiophenecarbaldehyde 1,3-benzothiazol-2-ylhydrazone; N-[(E)-(3-methyl-2-thienyl)methyleneamino]-1,3-benzothiazol-2-amine; 2-{(2E)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl}-1,3-benzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683903	.	.	.	.	273.4	C13H11N3S2	93.8	311	4.7	18	1	5	3	"InChI=1S/C13H11N3S2/c1-9-6-7-17-12(9)8-14-16-13-15-10-4-2-3-5-11(10)18-13/h2-8H,1H3,(H,15,16)/b14-8+"	CC1=C(SC=C1)/C=N/NC2=NC3=CC=CC=C3S2	ZRMZMTYKLUGUOI-RIYZIHGNSA-N
DG63960	3-Methyl-2-thiophenecarbaldehyde 2-quinolinylhydrazone	9556272	NSC683905; CHEMBL1971527; AKOS000987129; NSC-683905; 3-Methyl-2-thiophenecarbaldehyde 2-quinolinylhydrazone; N-[(E)-(3-methyl-2-thienyl)methyleneamino]quinolin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683905	.	.	.	.	267.4	C15H13N3S	65.5	321	4.5	19	1	4	3	"InChI=1S/C15H13N3S/c1-11-8-9-19-14(11)10-16-18-15-7-6-12-4-2-3-5-13(12)17-15/h2-10H,1H3,(H,17,18)/b16-10+"	CC1=C(SC=C1)/C=N/NC2=NC3=CC=CC=C3C=C2	PIKARIPADNTNGU-MHWRWJLKSA-N
DG63961	3-Methyl-2-thiophenecarbaldehyde (4-methyl-2-quinolinyl)hydrazone	9556273	NSC683906; CHEMBL1971383; AKOS000983123; NSC-683906; 3-Methyl-2-thiophenecarbaldehyde (4-methyl-2-quinolinyl)hydrazone; 4-methyl-N-[(E)-(3-methyl-2-thienyl)methyleneamino]quinolin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683906	.	.	.	.	281.4	C16H15N3S	65.5	347	4.9	20	1	4	3	"InChI=1S/C16H15N3S/c1-11-7-8-20-15(11)10-17-19-16-9-12(2)13-5-3-4-6-14(13)18-16/h3-10H,1-2H3,(H,18,19)/b17-10+"	CC1=C(SC=C1)/C=N/NC2=NC3=CC=CC=C3C(=C2)C	OYLMZCNRGXPYJP-LICLKQGHSA-N
DG63962	"3-Methyl-2-thiophenecarbaldehyde (4,6-dimethyl-2-quinolinyl)hydrazone"	9556274	"NSC683907; CHEMBL1990428; NSC-683907; 3-Methyl-2-thiophenecarbaldehyde (4,6-dimethyl-2-quinolinyl)hydrazone; 4,6-dimethyl-N-[(E)-(3-methyl-2-thienyl)methyleneamino]quinolin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683907	.	.	.	.	295.4	C17H17N3S	65.5	373	5.2	21	1	4	3	"InChI=1S/C17H17N3S/c1-11-4-5-15-14(8-11)13(3)9-17(19-15)20-18-10-16-12(2)6-7-21-16/h4-10H,1-3H3,(H,19,20)/b18-10+"	CC1=CC2=C(C=C1)N=C(C=C2C)N/N=C/C3=C(C=CS3)C	YAZYTYCQEMTVJD-VCHYOVAHSA-N
DG63963	"3-Methyl-2-thiophenecarbaldehyde (4,8-dimethyl-2-quinolinyl)hydrazone"	9556275	"NSC683908; CHEMBL1975755; NSC-683908; 3-Methyl-2-thiophenecarbaldehyde (4,8-dimethyl-2-quinolinyl)hydrazone; 4,8-dimethyl-N-[(E)-(3-methyl-2-thienyl)methyleneamino]quinolin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683908	.	.	.	.	295.4	C17H17N3S	65.5	373	5.2	21	1	4	3	"InChI=1S/C17H17N3S/c1-11-7-8-21-15(11)10-18-20-16-9-13(3)14-6-4-5-12(2)17(14)19-16/h4-10H,1-3H3,(H,19,20)/b18-10+"	CC1=C2C(=CC=C1)C(=CC(=N2)N/N=C/C3=C(C=CS3)C)C	ZGMZAURNMJNSSB-VCHYOVAHSA-N
DG63964	3-Methyl-2-thiophenecarbaldehyde (6-methoxy-4-methyl-2-quinolinyl)hydrazone	9556276	NSC683909; CHEMBL1994951; NSC-683909; 3-Methyl-2-thiophenecarbaldehyde (6-methoxy-4-methyl-2-quinolinyl)hydrazone; 6-methoxy-4-methyl-N-[(E)-(3-methyl-2-thienyl)methyleneamino]quinolin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683909	.	.	.	.	311.4	C17H17N3OS	74.8	392	4.9	22	1	5	4	"InChI=1S/C17H17N3OS/c1-11-6-7-22-16(11)10-18-20-17-8-12(2)14-9-13(21-3)4-5-15(14)19-17/h4-10H,1-3H3,(H,19,20)/b18-10+"	CC1=C(SC=C1)/C=N/NC2=NC3=C(C=C(C=C3)OC)C(=C2)C	IPTDWJNJTAFLED-VCHYOVAHSA-N
DG63965	3-Methyl-2-thiophenecarbaldehyde (7-methoxy-4-methyl-2-quinolinyl)hydrazone	9556277	NSC683910; CHEMBL2001744; NSC-683910; 3-Methyl-2-thiophenecarbaldehyde (7-methoxy-4-methyl-2-quinolinyl)hydrazone; 7-methoxy-4-methyl-N-[(E)-(3-methyl-2-thienyl)methyleneamino]quinolin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683910	.	.	.	.	311.4	C17H17N3OS	74.8	392	4.9	22	1	5	4	"InChI=1S/C17H17N3OS/c1-11-6-7-22-16(11)10-18-20-17-8-12(2)14-5-4-13(21-3)9-15(14)19-17/h4-10H,1-3H3,(H,19,20)/b18-10+"	CC1=C(SC=C1)/C=N/NC2=NC3=C(C=CC(=C3)OC)C(=C2)C	LJJUOEXAPQICEI-VCHYOVAHSA-N
DG63966	"5-Methyl-2-thiophenecarbaldehyde 4,5-dihydro-1H-imidazol-2-ylhydrazone"	9556278	"NSC683911; CHEMBL1969700; NSC-683911; 5-Methyl-2-thiophenecarbaldehyde 4,5-dihydro-1H-imidazol-2-ylhydrazone; N-[(E)-(5-methyl-2-thienyl)methyleneamino]-4,5-dihydro-1H-imidazol-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683911	.	.	.	.	208.29	C9H12N4S	77	251	1.1	14	2	3	3	"InChI=1S/C9H12N4S/c1-7-2-3-8(14-7)6-12-13-9-10-4-5-11-9/h2-3,6H,4-5H2,1H3,(H2,10,11,13)/b12-6+"	CC1=CC=C(S1)/C=N/NC2=NCCN2	PCPIXSRMKGPMEL-WUXMJOGZSA-N
DG63967	5-Methyl-2-thiophenecarbaldehyde 2-pyridinylhydrazone	9556279	NSC683912; MLS001174791; CHEMBL1998852; AKOS000985452; NSC-683912; SMR000595268; 5-Methyl-2-thiophenecarbaldehyde 2-pyridinylhydrazone; N-[(E)-(5-methyl-2-thienyl)methyleneamino]pyridin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683912	.	.	.	.	217.29	C11H11N3S	65.5	220	3.2	15	1	4	3	"InChI=1S/C11H11N3S/c1-9-5-6-10(15-9)8-13-14-11-4-2-3-7-12-11/h2-8H,1H3,(H,12,14)/b13-8+"	CC1=CC=C(S1)/C=N/NC2=CC=CC=N2	FIUOGEOQFLPJCI-MDWZMJQESA-N
DG63968	"5-Methyl-2-thiophenecarbaldehyde 1,3-benzothiazol-2-ylhydrazone"	9556282	"NSC683915; CHEMBL1968503; AKOS001004109; NSC-683915; 5-Methyl-2-thiophenecarbaldehyde 1,3-benzothiazol-2-ylhydrazone; N-[(E)-(5-methyl-2-thienyl)methyleneamino]-1,3-benzothiazol-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683915	.	.	.	.	273.4	C13H11N3S2	93.8	311	4.7	18	1	5	3	"InChI=1S/C13H11N3S2/c1-9-6-7-10(17-9)8-14-16-13-15-11-4-2-3-5-12(11)18-13/h2-8H,1H3,(H,15,16)/b14-8+"	CC1=CC=C(S1)/C=N/NC2=NC3=CC=CC=C3S2	PROQIBHESKWZBX-RIYZIHGNSA-N
DG63969	5-Methyl-2-thiophenecarbaldehyde 2-quinolinylhydrazone	9556284	NSC683917; CHEMBL1989978; AKOS000988634; NSC-683917; NCGC00325949-01; AB01321011-02; 5-Methyl-2-thiophenecarbaldehyde 2-quinolinylhydrazone; N-[(E)-(5-methyl-2-thienyl)methyleneamino]quinolin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683917	.	.	.	.	267.4	C15H13N3S	65.5	321	4.6	19	1	4	3	"InChI=1S/C15H13N3S/c1-11-6-8-13(19-11)10-16-18-15-9-7-12-4-2-3-5-14(12)17-15/h2-10H,1H3,(H,17,18)/b16-10+"	CC1=CC=C(S1)/C=N/NC2=NC3=CC=CC=C3C=C2	LLUZDLQWFNLXAP-MHWRWJLKSA-N
DG63970	5-Methyl-2-thiophenecarbaldehyde (4-methyl-2-quinolinyl)hydrazone	9556285	NSC683918; CHEMBL1984767; AKOS000983334; NSC-683918; NCGC00333844-01; AB01329105-02; 5-Methyl-2-thiophenecarbaldehyde (4-methyl-2-quinolinyl)hydrazone; 4-methyl-N-[(E)-(5-methyl-2-thienyl)methyleneamino]quinolin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683918	.	.	.	.	281.4	C16H15N3S	65.5	347	4.9	20	1	4	3	"InChI=1S/C16H15N3S/c1-11-9-16(18-15-6-4-3-5-14(11)15)19-17-10-13-8-7-12(2)20-13/h3-10H,1-2H3,(H,18,19)/b17-10+"	CC1=CC=C(S1)/C=N/NC2=NC3=CC=CC=C3C(=C2)C	SZDNAIARPOBGAJ-LICLKQGHSA-N
DG63971	"5-Methyl-2-thiophenecarbaldehyde (4,8-dimethyl-2-quinolinyl)hydrazone"	9556287	"NSC683920; CHEMBL1966857; NSC-683920; 4,8-dimethyl-N-[(E)-(5-methyl-2-thienyl)methyleneamino]quinolin-2-amine; 5-Methyl-2-thiophenecarbaldehyde (4,8-dimethyl-2-quinolinyl)hydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683920	.	.	.	.	295.4	C17H17N3S	65.5	373	5.3	21	1	4	3	"InChI=1S/C17H17N3S/c1-11-5-4-6-15-12(2)9-16(19-17(11)15)20-18-10-14-8-7-13(3)21-14/h4-10H,1-3H3,(H,19,20)/b18-10+"	CC1=C2C(=CC=C1)C(=CC(=N2)N/N=C/C3=CC=C(S3)C)C	FBDVYMUXPCSYIP-VCHYOVAHSA-N
DG63972	5-Methyl-2-thiophenecarbaldehyde (6-methoxy-4-methyl-2-quinolinyl)hydrazone	9556288	NSC683921; CHEMBL1975580; NSC-683921; 5-Methyl-2-thiophenecarbaldehyde (6-methoxy-4-methyl-2-quinolinyl)hydrazone; 6-methoxy-4-methyl-N-[(E)-(5-methyl-2-thienyl)methyleneamino]quinolin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683921	.	.	.	.	311.4	C17H17N3OS	74.8	392	4.9	22	1	5	4	"InChI=1S/C17H17N3OS/c1-11-8-17(20-18-10-14-6-4-12(2)22-14)19-16-7-5-13(21-3)9-15(11)16/h4-10H,1-3H3,(H,19,20)/b18-10+"	CC1=CC=C(S1)/C=N/NC2=NC3=C(C=C(C=C3)OC)C(=C2)C	FVLSZGOTTZCLEG-VCHYOVAHSA-N
DG63973	5-Methyl-2-thiophenecarbaldehyde (7-methoxy-4-methyl-2-quinolinyl)hydrazone	9556289	NSC683922; CHEMBL1974611; NSC-683922; 5-Methyl-2-thiophenecarbaldehyde (7-methoxy-4-methyl-2-quinolinyl)hydrazone; 7-methoxy-4-methyl-N-[(E)-(5-methyl-2-thienyl)methyleneamino]quinolin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683922	.	.	.	.	311.4	C17H17N3OS	74.8	392	4.9	22	1	5	4	"InChI=1S/C17H17N3OS/c1-11-8-17(20-18-10-14-6-4-12(2)22-14)19-16-9-13(21-3)5-7-15(11)16/h4-10H,1-3H3,(H,19,20)/b18-10+"	CC1=CC=C(S1)/C=N/NC2=NC3=C(C=CC(=C3)OC)C(=C2)C	VVHZVOCKIDIYIJ-VCHYOVAHSA-N
DG63974	"4(3H)-Quinazolinone, 3-[[(2-nitrophenyl)methylene]amino]-2-phenyl-"	9556295	"NSC685848; CHEMBL1992119; ZINC8665871; CCG-36444; NSC-685848; 3-[(E)-(2-nitrophenyl)methyleneamino]-2-phenyl-quinazolin-4-one; 4(3H)-Quinazolinone, 3-[[(2-nitrophenyl)methylene]amino]-2-phenyl-; 3-((2-(Hydroxy(oxido)amino)benzylidene)amino)-2-phenyl-4(3H)-quinazolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685848	.	.	.	.	370.4	C21H14N4O3	90.8	651	4	28	0	5	3	InChI=1S/C21H14N4O3/c26-21-17-11-5-6-12-18(17)23-20(15-8-2-1-3-9-15)24(21)22-14-16-10-4-7-13-19(16)25(27)28/h1-14H/b22-14+	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2/N=C/C4=CC=CC=C4[N+](=O)[O-]	OLFBCAHNOFQEPC-HYARGMPZSA-N
DG63975	"3-(4-nitrophenyl)-4-[(E)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazol-5-one"	9556307	"NSC690622; CHEMBL1987903; ZINC1652387; NSC-690622; 3-(4-nitrophenyl)-4-[(E)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazol-5-one; 4-((4-(Hydroxy(oxido)amino)benzylidene)amino)-5-(4-(hydroxy(oxido)amino)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690622	.	.	.	.	354.28	C15H10N6O5	149	623	2.3	26	1	7	3	"InChI=1S/C15H10N6O5/c22-15-18-17-14(11-3-7-13(8-4-11)21(25)26)19(15)16-9-10-1-5-12(6-2-10)20(23)24/h1-9H,(H,18,22)/b16-9+"	C1=CC(=CC=C1/C=N/N2C(=NNC2=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]	WQXQQZYSAJQZFY-CXUHLZMHSA-N
DG63976	"Hydrazinecarbothioamide, 2-[[5-(1-oxopropoxy)-2-pyridinyl]methylene]-"	9556312	"NSC185049; 51984-20-4; ZINC5203032; NSC-185049; Hydrazinecarbothioamide, 2-[[5-(1-oxopropoxy)-2-pyridinyl]methylene]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	185049	.	.	.	.	252.3	C10H12N4O2S	122	309	1.6	17	2	5	5	"InChI=1S/C10H12N4O2S/c1-2-9(15)16-8-4-3-7(12-6-8)5-13-14-10(11)17/h3-6H,2H2,1H3,(H3,11,14,17)/b13-5+"	CCC(=O)OC1=CN=C(C=C1)/C=N/NC(=S)N	OYUAXYHBKMCVFP-WLRTZDKTSA-N
DG63977	(Z)-bis(4-chlorophenyl)methyl-methoxycarbonylimino-oxido-ammonium	9556321	NSC692596; CHEMBL2004856; NSC-692596; (Z)-bis(4-chlorophenyl)methyl-methoxycarbonylimino-oxido-ammonium; Methyl 2-(bis(4-chlorophenyl)methyl)-2-hydroxy-2.lambda.~5~-diazenecarboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692596	.	.	.	.	339.2	C15H12Cl2N2O3	67.4	382	4.7	22	0	3	4	"InChI=1S/C15H12Cl2N2O3/c1-22-15(20)18-19(21)14(10-2-6-12(16)7-3-10)11-4-8-13(17)9-5-11/h2-9,14H,1H3/b19-18-"	COC(=O)/N=[N+](/C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)\\[O-]	ZYHCCMXZZJEYNG-HNENSFHCSA-N
DG63978	(Z)-[cyclohexyl-(4-methoxyphenyl)methyl]-methoxycarbonylimino-oxido-ammonium	9556322	NSC692597; CHEMBL1995531; NSC-692597; (Z)-[cyclohexyl-(4-methoxyphenyl)methyl]-methoxycarbonylimino-oxido-ammonium; Methyl 2-(cyclohexyl(4-methoxyphenyl)methyl)-2-hydroxy-2.lambda.~5~-diazenecarboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692597	.	.	.	.	306.36	C16H22N2O4	76.6	386	4.1	22	0	4	5	"InChI=1S/C16H22N2O4/c1-21-14-10-8-13(9-11-14)15(12-6-4-3-5-7-12)18(20)17-16(19)22-2/h8-12,15H,3-7H2,1-2H3/b18-17-"	COC1=CC=C(C=C1)C(C2CCCCC2)/[N+](=N/C(=O)OC)/[O-]	HPXCZPHXMGWMRR-ZCXUNETKSA-N
DG63979	[(Z)-1-chloropropylideneamino] N-(4-fluoro-3-nitro-phenyl)carbamate	9556326	NSC693882; ZINC73291826; AKOS003317934; [(Z)-1-chloropropylideneamino] N-(4-fluoro-3-nitro-phenyl)carbamate; N-(((4-Fluoro-3-(hydroxy(oxido)amino)anilino)carbonyl)oxy)propanimidoyl chloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693882	.	.	.	.	289.65	C10H9ClFN3O4	96.5	374	2.9	19	1	6	4	"InChI=1S/C10H9ClFN3O4/c1-2-9(11)14-19-10(16)13-6-3-4-7(12)8(5-6)15(17)18/h3-5H,2H2,1H3,(H,13,16)/b14-9-"	CC/C(=N/OC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])/Cl	DAJABQXEJOLMQY-ZROIWOOFSA-N
DG63980	[(Z)-1-chloroethylideneamino] N-(4-fluoro-3-nitro-phenyl)carbamate	9556327	"NSC693883; CHEMBL2006555; ZINC100228525; NSC-693883; [(Z)-1-chloroethylideneamino] N-(4-fluoro-3-nitro-phenyl)carbamate; Acetaldehyde, O-[[(4-fluoro-3-nitrophenyl) amino]carbonyl]oxime; N-(((4-Fluoro-3-(hydroxy(oxido)amino)anilino)carbonyl)oxy)ethanimidoyl chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693883	.	.	.	.	275.62	C9H7ClFN3O4	96.5	360	2.5	18	1	6	3	"InChI=1S/C9H7ClFN3O4/c1-5(10)13-18-9(15)12-6-2-3-7(11)8(4-6)14(16)17/h2-4H,1H3,(H,12,15)/b13-5-"	C/C(=N/OC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])/Cl	SXKGICHRSILUQU-ACAGNQJTSA-N
DG63981	N-(((4-Fluoro-3-(hydroxy(oxido)amino)anilino)carbonyl)oxy)-2-methylpropanimidoyl chloride	9556329	NSC693885; AKOS003317935; [(Z)-(1-chloro-2-methyl-propylidene)amino] N-(4-fluoro-3-nitro-phenyl)carbamate; N-(((4-Fluoro-3-(hydroxy(oxido)amino)anilino)carbonyl)oxy)-2-methylpropanimidoyl chloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693885	.	.	.	.	303.67	C11H11ClFN3O4	96.5	400	3.5	20	1	6	4	"InChI=1S/C11H11ClFN3O4/c1-6(2)10(12)15-20-11(17)14-7-3-4-8(13)9(5-7)16(18)19/h3-6H,1-2H3,(H,14,17)/b15-10-"	CC(C)/C(=N/OC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])/Cl	KZPBNWWJDKUBNU-GDNBJRDFSA-N
DG63982	"11-[4-[(E)-[(2,4-dinitrophenyl)hydrazono]methyl]phenoxy]undecan-1-ol"	9556330	"NSC694536; CHEMBL1996027; NSC-694536; 11-[4-[(E)-[(2,4-dinitrophenyl)hydrazono]methyl]phenoxy]undecan-1-ol; 4-((11-Hydroxyundecyl)oxy)benzaldehyde (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694536	.	.	.	.	472.5	C24H32N4O6	146	601	5.9	34	2	8	15	"InChI=1S/C24H32N4O6/c29-16-8-6-4-2-1-3-5-7-9-17-34-22-13-10-20(11-14-22)19-25-26-23-15-12-21(27(30)31)18-24(23)28(32)33/h10-15,18-19,26,29H,1-9,16-17H2/b25-19+"	C1=CC(=CC=C1/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OCCCCCCCCCCCO	VQZGAGKEIIVWIV-NCELDCMTSA-N
DG63983	[6-[(E)-(carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-(4-chlorophenoxy)acetate	9556337	NSC185054; 51984-30-6; ZINC5203036; NSC-185054	.	.	Investigative Drug(s)	Investigative	Small molecular drug	185054	.	.	.	.	364.8	C15H13ClN4O3S	131	458	2.5	24	2	6	7	"InChI=1S/C15H13ClN4O3S/c16-10-1-4-12(5-2-10)22-9-14(21)23-13-6-3-11(18-8-13)7-19-20-15(17)24/h1-8H,9H2,(H3,17,20,24)/b19-7+"	C1=CC(=CC=C1OCC(=O)OC2=CN=C(C=C2)/C=N/NC(=S)N)Cl	MMDRMMMYUBKHFV-FBCYGCLPSA-N
DG63984	"3-[(4-chlorophenyl)methyl]-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one"	9556342	NSC698051; CHEMBL1980255; NSC-698051	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698051	.	.	.	.	302.71	C14H11ClN4O2	70.2	446	2.6	21	1	4	4	"InChI=1S/C14H11ClN4O2/c15-11-5-3-10(4-6-11)8-13-17-18-14(20)19(13)16-9-12-2-1-7-21-12/h1-7,9H,8H2,(H,18,20)/b16-9+"	C1=COC(=C1)/C=N/N2C(=NNC2=O)CC3=CC=C(C=C3)Cl	XNASOMWPYMBKJQ-CXUHLZMHSA-N
DG63985	"4-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one"	9556343	NSC698052; CHEMBL1993870; NSC-698052	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698052	.	.	.	.	254.24	C13H10N4O2	70.2	401	2.1	19	1	4	3	"InChI=1S/C13H10N4O2/c18-13-16-15-12(10-5-2-1-3-6-10)17(13)14-9-11-7-4-8-19-11/h1-9H,(H,16,18)/b14-9+"	C1=CC=C(C=C1)C2=NNC(=O)N2/N=C/C3=CC=CO3	CKOVOOSIFLSJCE-NTEUORMPSA-N
DG63986	"3-methyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one"	9556348	NSC698057; CHEMBL1999746; NSC-698057	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698057	.	.	.	.	237.17	C8H7N5O4	116	401	0.6	17	1	6	2	"InChI=1S/C8H7N5O4/c1-5-10-11-8(14)12(5)9-4-6-2-3-7(17-6)13(15)16/h2-4H,1H3,(H,11,14)/b9-4+"	CC1=NNC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-]	YDISGXWJLLQGGJ-RUDMXATFSA-N
DG63987	"4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one"	9556349	NSC698058; CHEMBL1984013; NSC-698058	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698058	.	.	.	.	299.24	C13H9N5O4	116	509	2.2	22	1	6	3	"InChI=1S/C13H9N5O4/c19-13-16-15-12(9-4-2-1-3-5-9)17(13)14-8-10-6-7-11(22-10)18(20)21/h1-8H,(H,16,19)/b14-8+"	C1=CC=C(C=C1)C2=NNC(=O)N2/N=C/C3=CC=C(O3)[N+](=O)[O-]	CCBCFFSRPUCXIV-RIYZIHGNSA-N
DG63988	"3-benzyl-4-[(E)-(3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one"	9556355	NSC698064; CHEMBL1987649; NSC-698064	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698064	.	.	.	.	308.33	C17H16N4O2	66.3	471	2.6	23	1	4	5	"InChI=1S/C17H16N4O2/c1-23-15-9-5-8-14(10-15)12-18-21-16(19-20-17(21)22)11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,20,22)/b18-12+"	COC1=CC=CC(=C1)/C=N/N2C(=NNC2=O)CC3=CC=CC=C3	OLRONPQDUJKJJR-LDADJPATSA-N
DG63989	"3-[(4-chlorophenyl)methyl]-4-[(E)-(3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one"	9556356	NSC698065; CHEMBL1994122; NSC-698065	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698065	.	.	.	.	342.8	C17H15ClN4O2	66.3	503	3.2	24	1	4	5	"InChI=1S/C17H15ClN4O2/c1-24-15-4-2-3-13(9-15)11-19-22-16(20-21-17(22)23)10-12-5-7-14(18)8-6-12/h2-9,11H,10H2,1H3,(H,21,23)/b19-11+"	COC1=CC=CC(=C1)/C=N/N2C(=NNC2=O)CC3=CC=C(C=C3)Cl	KQPGZLXJMDQZKV-YBFXNURJSA-N
DG63990	"4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one"	9556358	NSC698067; CHEMBL1979813; NSC-698067	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698067	.	.	.	.	262.26	C12H14N4O3	75.5	396	1	19	1	5	4	"InChI=1S/C12H14N4O3/c1-8-14-15-12(17)16(8)13-7-9-4-5-10(18-2)6-11(9)19-3/h4-7H,1-3H3,(H,15,17)/b13-7+"	CC1=NNC(=O)N1/N=C/C2=C(C=C(C=C2)OC)OC	FKKGRLADIIPGRK-NTUHNPAUSA-N
DG63991	"3-methyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one"	9556359	NSC698068; CHEMBL1998385; NSC-698068	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698068	.	.	.	.	292.29	C13H16N4O4	84.8	426	0.9	21	1	6	5	"InChI=1S/C13H16N4O4/c1-8-15-16-13(18)17(8)14-7-9-5-10(19-2)12(21-4)11(6-9)20-3/h5-7H,1-4H3,(H,16,18)/b14-7+"	CC1=NNC(=O)N1/N=C/C2=CC(=C(C(=C2)OC)OC)OC	ITTIXTFRJUHYCD-VGOFMYFVSA-N
DG63992	"3-[(4-chlorophenyl)methyl]-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one"	9556360	NSC698069; CHEMBL2006285; NSC-698069	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698069	.	.	.	.	402.8	C19H19ClN4O4	84.8	581	3.1	28	1	6	7	"InChI=1S/C19H19ClN4O4/c1-26-15-8-13(9-16(27-2)18(15)28-3)11-21-24-17(22-23-19(24)25)10-12-4-6-14(20)7-5-12/h4-9,11H,10H2,1-3H3,(H,23,25)/b21-11+"	COC1=CC(=CC(=C1OC)OC)/C=N/N2C(=NNC2=O)CC3=CC=C(C=C3)Cl	XHUOJPOGQORZTR-SRZZPIQSSA-N
DG63993	N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-[2-[[(E)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]anilino]benzamide	9556371	"NSC698451; CHEMBL1971342; NSC-698451; Benzoic acid, 2,2'-iminobis-, bis[[(1E,2E)-3-phenyl-2-propenylidene]hydrazide]; N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-[2-[[(E)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]anilino]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698451	.	.	.	.	513.6	C32H27N5O2	95	800	6.7	39	3	5	10	"InChI=1S/C32H27N5O2/c38-31(36-33-23-11-17-25-13-3-1-4-14-25)27-19-7-9-21-29(27)35-30-22-10-8-20-28(30)32(39)37-34-24-12-18-26-15-5-2-6-16-26/h1-24,35H,(H,36,38)(H,37,39)/b17-11+,18-12+,33-23+,34-24+"	C1=CC=C(C=C1)/C=C/C=N/NC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)N/N=C/C=C/C4=CC=CC=C4	GJYVKGCNQSPMNZ-FLBAODLISA-N
DG63994	"N'-[6-(4-chlorophenyl)-5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide"	9556374	NSC699667; CHEMBL1971205; NSC-699667	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699667	.	.	.	.	397.9	C14H12ClN5O3S2	134	618	2.5	25	0	7	5	"InChI=1S/C14H12ClN5O3S2/c1-19(2)8-16-25(22,23)14-18-20-11(7-21)12(17-13(20)24-14)9-3-5-10(15)6-4-9/h3-8H,1-2H3/b16-8+"	CN(C)/C=N/S(=O)(=O)C1=NN2C(=C(N=C2S1)C3=CC=C(C=C3)Cl)C=O	OWWLPPXVCJSSED-LZYBPNLTSA-N
DG63995	"N'-[5-formyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide"	9556375	NSC699668; CHEMBL1995506; NSC-699668	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699668	.	.	.	.	408.4	C14H12N6O5S2	179	698	1.7	27	0	9	5	"InChI=1S/C14H12N6O5S2/c1-18(2)8-15-27(24,25)14-17-19-11(7-21)12(16-13(19)26-14)9-3-5-10(6-4-9)20(22)23/h3-8H,1-2H3/b15-8+"	CN(C)/C=N/S(=O)(=O)C1=NN2C(=C(N=C2S1)C3=CC=C(C=C3)[N+](=O)[O-])C=O	PJBIYCFFSDKDFJ-OVCLIPMQSA-N
DG63996	"(E)-N-pyridin-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine"	9556386	NSC702334; CHEMBL1977184; NSC-702334	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702334	.	.	.	.	272.3	C15H16N2O3	52.9	298	2.4	20	0	5	5	"InChI=1S/C15H16N2O3/c1-18-12-8-11(9-13(19-2)15(12)20-3)10-17-14-6-4-5-7-16-14/h4-10H,1-3H3/b17-10+"	COC1=CC(=CC(=C1OC)OC)/C=N/C2=CC=CC=N2	ZRCLIVDBJWAMPG-LICLKQGHSA-N
DG63997	"3-benzyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one"	9556387	NSC702395; CHEMBL1992469; NSC-702395	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702395	.	.	.	.	313.27	C14H11N5O4	116	524	2.2	23	1	6	4	"InChI=1S/C14H11N5O4/c20-14-17-16-12(8-10-4-2-1-3-5-10)18(14)15-9-11-6-7-13(23-11)19(21)22/h1-7,9H,8H2,(H,17,20)/b15-9+"	C1=CC=C(C=C1)CC2=NNC(=O)N2/N=C/C3=CC=C(O3)[N+](=O)[O-]	MOBXSSKAFOJMRE-OQLLNIDSSA-N
DG63998	"3-[(4-chlorophenyl)methyl]-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one"	9556388	NSC702396; CHEMBL1985366; NSC-702396	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702396	.	.	.	.	347.71	C14H10ClN5O4	116	556	2.8	24	1	6	4	"InChI=1S/C14H10ClN5O4/c15-10-3-1-9(2-4-10)7-12-17-18-14(21)19(12)16-8-11-5-6-13(24-11)20(22)23/h1-6,8H,7H2,(H,18,21)/b16-8+"	C1=CC(=CC=C1CC2=NNC(=O)N2/N=C/C3=CC=C(O3)[N+](=O)[O-])Cl	SALZHTFMSVUBNK-LZYBPNLTSA-N
DG63999	"3-benzyl-4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one"	9556389	NSC702397; CHEMBL1965859; NSC-702397	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702397	.	.	.	.	338.4	C18H18N4O3	75.5	517	2.5	25	1	5	6	"InChI=1S/C18H18N4O3/c1-24-15-9-8-14(16(11-15)25-2)12-19-22-17(20-21-18(22)23)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H,21,23)/b19-12+"	COC1=CC(=C(C=C1)/C=N/N2C(=NNC2=O)CC3=CC=CC=C3)OC	LHLZYHGLORSCDQ-XDHOZWIPSA-N
DG64000	"4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one"	9556391	NSC702399; CHEMBL1968743; NSC-702399	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702399	.	.	.	.	324.33	C17H16N4O3	75.5	502	2.6	24	1	5	5	"InChI=1S/C17H16N4O3/c1-23-14-9-8-13(15(10-14)24-2)11-18-21-16(19-20-17(21)22)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,22)/b18-11+"	COC1=CC(=C(C=C1)/C=N/N2C(=NNC2=O)C3=CC=CC=C3)OC	IYGJFPUEAFSDHZ-WOJGMQOQSA-N
DG64001	"3-phenyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one"	9556392	NSC702400; CHEMBL1991374; NSC-702400	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702400	.	.	.	.	354.4	C18H18N4O4	84.8	533	2.6	26	1	6	6	"InChI=1S/C18H18N4O4/c1-24-14-9-12(10-15(25-2)16(14)26-3)11-19-22-17(20-21-18(22)23)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,21,23)/b19-11+"	COC1=CC(=CC(=C1OC)OC)/C=N/N2C(=NNC2=O)C3=CC=CC=C3	NKDCDUBMDHRUOO-YBFXNURJSA-N
DG64002	[[4-(3-Aminophenyl)-2-pyridyl]methyleneamino]thiourea	9556427	4-APPT; MLS003107042; NSC195327; 52583-84-3; SMR001821923; CHEMBL4296909; BDBM96292; cid_4040288; DTXSID10429889; ZINC5011812; NSC-195327; [[4-(3-aminophenyl)-2-pyridyl]methyleneamino]thiourea; [[4-(3-aminophenyl)-2-pyridinyl]methylideneamino]thiourea; [[4-(3-aminophenyl)pyridin-2-yl]methylideneamino]thiourea; 1-[[4-(3-aminophenyl)pyridin-2-yl]methylideneamino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	195327	.	.	.	.	271.34	C13H13N5S	121	333	1.4	19	3	4	3	"InChI=1S/C13H13N5S/c14-11-3-1-2-9(6-11)10-4-5-16-12(7-10)8-17-18-13(15)19/h1-8H,14H2,(H3,15,18,19)/b17-8+"	C1=CC(=CC(=C1)N)C2=CC(=NC=C2)/C=N/NC(=S)N	HUJXMLQQCAEBCK-CAOOACKPSA-N
DG64003	"1-(1-adamantyl)-3-[(E)-(3,5-dichlorophenyl)methylideneamino]thiourea"	9556459	NSC121934; 32403-18-2; DTXSID70429901; ZINC34720818; NSC-121934	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121934	.	.	.	.	382.3	C18H21Cl2N3S	68.5	473	5.5	24	2	2	3	"InChI=1S/C18H21Cl2N3S/c19-15-4-14(5-16(20)6-15)10-21-23-17(24)22-18-7-11-1-12(8-18)3-13(2-11)9-18/h4-6,10-13H,1-3,7-9H2,(H2,22,23,24)/b21-10+"	C1C2CC3CC1CC(C2)(C3)NC(=S)N/N=C/C4=CC(=CC(=C4)Cl)Cl	ZRWPRNIYISSONX-UFFVCSGVSA-N
DG64004	"Hydrazinecarbothioamide, 2-[(5-amino-2-pyridinyl)methylene]-"	9556467	"NSC266743; 5-aminopyridine-2-carboxaldehyde thiosemicarbazone; Hydrazinecarbothioamide, 2-[(5-amino-2-pyridinyl)methylene]-; CHEMBL123661; ZINC5438956; NSC-266743"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	266743	.	.	.	.	195.25	C7H9N5S	121	205	0.7	13	3	4	2	"InChI=1S/C7H9N5S/c8-5-1-2-6(10-3-5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4+"	C1=CC(=NC=C1N)/C=N/NC(=S)N	AUTPZEFNZJADCK-NYYWCZLTSA-N
DG64005	4-acetamido-2-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzamide	9559219	NSC716197; CHEMBL2003349; NSC-716197	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716197	.	.	.	.	315.32	C16H17N3O4	92.9	441	1.7	23	2	5	6	"InChI=1S/C16H17N3O4/c1-3-22-15-9-12(18-11(2)20)6-7-14(15)16(21)19-17-10-13-5-4-8-23-13/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21)/b17-10+"	CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)N/N=C/C2=CC=CO2	PHJHDIIHHLEKIE-LICLKQGHSA-N
DG64006	"[6-[(E)-(carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-(2,4,5-trichlorophenoxy)acetate"	9560945	MLS003106946; 51984-32-8; NSC185055; DTXSID20429951; ZINC5203038; NSC-185055	.	.	Investigative Drug(s)	Investigative	Small molecular drug	185055	.	.	.	.	433.7	C15H11Cl3N4O3S	131	528	3.8	26	2	6	7	"InChI=1S/C15H11Cl3N4O3S/c16-10-3-12(18)13(4-11(10)17)24-7-14(23)25-9-2-1-8(20-6-9)5-21-22-15(19)26/h1-6H,7H2,(H3,19,22,26)/b21-5+"	C1=CC(=NC=C1OC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl)/C=N/NC(=S)N	RVBSAHUEAWPHMO-IGCPIRJNSA-N
DG64007	O-Phenethylnicotinaldoxime	9561248	"NSC37943; O-Phenethylnicotinaldoxime; Nicotinaldehyde, phenethyloxime; CHEMBL1972144; ZINC4577925; NSC-37943; 3-Pyridinecarboxaldehyde, O-(2-phenylethyl)oxime"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37943	.	.	.	.	226.27	C14H14N2O	34.5	224	2.9	17	0	3	5	"InChI=1S/C14H14N2O/c1-2-5-13(6-3-1)8-10-17-16-12-14-7-4-9-15-11-14/h1-7,9,11-12H,8,10H2/b16-12+"	C1=CC=C(C=C1)CCO/N=C/C2=CN=CC=C2	JCVYFJONAJNXEU-FOWTUZBSSA-N
DG64008	"Hydrazinecarboximidamide, 2-((4-(diethylamino)phenyl)methylene)-"	9561622	"NSC65814; N-(4-DIETHYLAMINOBENZYLIDENEAMINO)GUANIDINE; SCHEMBL7743104; NSC-65814; ZINC31518110; Hydrazinecarboximidamide, 2-((4-(diethylamino)phenyl)methylene)-; 102632-29-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	65814	.	.	.	.	233.31	C12H19N5	80	258	1.3	17	2	3	5	"InChI=1S/C12H19N5/c1-3-17(4-2)11-7-5-10(6-8-11)9-15-16-12(13)14/h5-9H,3-4H2,1-2H3,(H4,13,14,16)/b15-9+"	CCN(CC)C1=CC=C(C=C1)/C=N/N=C(N)N	USSKVRINIDXTJL-OQLLNIDSSA-N
DG64009	"5-chloro-4-[(2E)-2-(2-oxo-1,2-diphenylethylidene)hydrazinyl]-1H-pyridazin-6-one"	9561703	NSC69049; CHEMBL1978505; NSC-69049; ZINC104391853	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69049	.	.	.	.	352.8	C18H13ClN4O2	82.9	615	4	25	2	5	5	"InChI=1S/C18H13ClN4O2/c19-15-14(11-20-23-18(15)25)21-22-16(12-7-3-1-4-8-12)17(24)13-9-5-2-6-10-13/h1-11H,(H2,21,23,25)/b22-16+"	C1=CC=C(C=C1)/C(=N\\NC2=C(C(=O)NN=C2)Cl)/C(=O)C3=CC=CC=C3	QFAOICFSALFBQW-CJLVFECKSA-N
DG64010	2-[(E)-furan-2-ylmethylideneamino]guanidine;4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid	9561735	NSC69911; NSC-69911	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69911	.	.	.	.	382.4	C16H22N4O5S	173	477	.	26	4	7	4	"InChI=1S/C10H14O4S.C6H8N4O/c1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11;7-6(8)10-9-4-5-2-1-3-11-5/h4-6,11H,1-3H3,(H,12,13,14);1-4H,(H4,7,8,10)/b;9-4+"	CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O.C1=COC(=C1)/C=N/N=C(N)N	HVACGIAUTUPJDG-CDPAKSFWSA-N
DG64011	2-[(Z)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]guanidine	9561739	NSC69917; CHEMBL1289322; NSC-69917	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69917	.	.	.	.	278.35	C17H18N4	76.8	393	3.1	21	2	2	4	"InChI=1S/C17H18N4/c1-13-7-9-14(10-8-13)11-12-16(20-21-17(18)19)15-5-3-2-4-6-15/h2-12H,1H3,(H4,18,19,21)/b12-11+,20-16-"	CC1=CC=C(C=C1)/C=C/C(=N/N=C(N)N)/C2=CC=CC=C2	XZHIIDSBDZACFH-TXXYZZINSA-N
DG64012	2-[(E)-1-(4-fluorophenyl)pentylideneamino]guanidine	9561770	NSC71717; NSC-71717; ZINC17327438	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71717	.	.	.	.	236.29	C12H17FN4	76.8	276	2.2	17	2	3	5	"InChI=1S/C12H17FN4/c1-2-3-4-11(16-17-12(14)15)9-5-7-10(13)8-6-9/h5-8H,2-4H2,1H3,(H4,14,15,17)/b16-11+"	CCCC/C(=N\\N=C(N)N)/C1=CC=C(C=C1)F	DFCSMZLIPXUWKR-LFIBNONCSA-N
DG64013	"(8R,9S,13S,14S,16E)-16-Hydroxyimino-13-methyl-3-prop-2-enoxy-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one"	9561873	"60834-45-9; (8R,9S,13S,14S,16E)-16-Hydroxyimino-13-methyl-3-prop-2-enoxy-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one; NSC82489; NSC-82489"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82489	.	.	.	.	339.4	C21H25NO3	58.9	586	4.6	25	1	4	3	"InChI=1S/C21H25NO3/c1-3-10-25-14-5-7-15-13(11-14)4-6-17-16(15)8-9-21(2)18(17)12-19(22-24)20(21)23/h3,5,7,11,16-18,24H,1,4,6,8-10,12H2,2H3/b22-19+/t16-,17-,18+,21+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1C/C(=N\\O)/C2=O)CCC4=C3C=CC(=C4)OCC=C	YEDFYMKASYROKP-BODGLHNHSA-N
DG64014	[(E)-(3-ethoxypyridin-2-yl)methylideneamino]thiourea	9562139	NSC104960; 6839-92-5; DTXSID90430256; ZINC17419119; NSC-104960	.	.	Investigative Drug(s)	Investigative	Small molecular drug	104960	.	.	.	.	224.29	C9H12N4OS	105	234	0.8	15	2	4	4	"InChI=1S/C9H12N4OS/c1-2-14-8-4-3-5-11-7(8)6-12-13-9(10)15/h3-6H,2H2,1H3,(H3,10,13,15)/b12-6+"	CCOC1=C(N=CC=C1)/C=N/NC(=S)N	HVSPGPWUVBAKPF-WUXMJOGZSA-N
DG64015	2-benzyl-N-[(E)-benzylideneamino]tetrazol-5-amine	9562683	MLS003106693; 25857-64-1; NSC168225; CHEMBL4296842; DTXSID00430328; ZINC31719956; NSC-168225	.	.	Investigative Drug(s)	Investigative	Small molecular drug	168225	.	.	.	.	278.31	C15H14N6	68	322	3.7	21	1	5	5	"InChI=1S/C15H14N6/c1-3-7-13(8-4-1)11-16-17-15-18-20-21(19-15)12-14-9-5-2-6-10-14/h1-11H,12H2,(H,17,19)/b16-11+"	C1=CC=C(C=C1)CN2N=C(N=N2)N/N=C/C3=CC=CC=C3	KFHMAIBXGBCAJT-LFIBNONCSA-N
DG64016	NSC731654	9567684	"7-[4-[[(3Z)-3-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]imino-5-fluoro-2-oxo-indolin-1-yl]methyl]-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid; CHEMBL4470411; NSC731654; NSC-731654; 3-Quinolinecarboxylic acid, 7-[4-[[(3Z)-3-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-2-pyrimidinyl]imino]-5-fluoro-2,3-dihydro-2-oxo-1H-indol-1-yl]methyl]-3-methyl-1-piperazinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-; 7-[4-[[(3Z)-3-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]imino-5-fluoro-2-oxo-indolin-1-yl]methyl]-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731654	.	.	.	.	824.8	C42H42F2N8O8	186	1640	3.5	60	2	17	12	"InChI=1S/C42H42F2N8O8/c1-21-18-49(35-29(44)16-27-34(38(35)60-5)51(25-7-8-25)19-28(36(27)53)41(55)56)10-11-50(21)20-52-30-9-6-24(43)15-26(30)33(40(52)54)47-42-46-17-23(39(45)48-42)12-22-13-31(57-2)37(59-4)32(14-22)58-3/h6,9,13-17,19,21,25H,7-8,10-12,18,20H2,1-5H3,(H,55,56)(H2,45,46,48)/b47-33-"	CC1CN(CCN1CN2C3=C(C=C(C=C3)F)/C(=N/C4=NC=C(C(=N4)N)CC5=CC(=C(C(=C5)OC)OC)OC)/C2=O)C6=C(C=C7C(=C6OC)N(C=C(C7=O)C(=O)O)C8CC8)F	VBDSJLHZQMUOLC-GYHSTGKTSA-N
DG64017	2-amino-N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide	9568284	NSC82587; NSC-82587	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82587	.	.	.	.	423.3	C20H24Cl2N4O2	91	473	3.2	28	3	5	10	"InChI=1S/C20H24Cl2N4O2/c21-9-11-26(12-10-22)17-5-1-16(2-6-17)14-24-25-20(28)19(23)13-15-3-7-18(27)8-4-15/h1-8,14,19,27H,9-13,23H2,(H,25,28)/b24-14+"	C1=CC(=CC=C1CC(C(=O)N/N=C/C2=CC=C(C=C2)N(CCCl)CCCl)N)O	WBMLOIZUPQOBPX-ZVHZXABRSA-N
DG64018	"5-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-1,3-thiazole-2-carbonitrile"	9568291	MLS002694159; NSC83343; NSC-83343; 92550-28-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83343	.	.	.	.	353.3	C15H14Cl2N4S	80.5	398	3.9	22	0	5	7	"InChI=1S/C15H14Cl2N4S/c16-5-7-21(8-6-17)13-3-1-12(2-4-13)10-19-15-11-20-14(9-18)22-15/h1-4,10-11H,5-8H2/b19-10+"	C1=CC(=CC=C1/C=N/C2=CN=C(S2)C#N)N(CCCl)CCCl	QCLYSNBFASOOKB-VXLYETTFSA-N
DG64019	3-[(E)-[[4-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol	9568401	NSC103832; CHEMBL1970611; 27703-97-5; ZINC31670013; NSC-103832	.	.	Investigative Drug(s)	Investigative	Small molecular drug	103832	.	.	.	.	398.4	C22H18N6O2	115	538	4.3	30	4	8	6	"InChI=1S/C22H18N6O2/c29-17-7-3-5-15(11-17)13-23-25-21-19-9-1-2-10-20(19)22(28-27-21)26-24-14-16-6-4-8-18(30)12-16/h1-14,29-30H,(H,25,27)(H,26,28)/b23-13+,24-14+"	C1=CC=C2C(=NN=C(C2=C1)N/N=C/C3=CC(=CC=C3)O)N/N=C/C4=CC(=CC=C4)O	GWXOMCKJFPEHFY-RNIAWFEPSA-N
DG64020	N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide	9568495	MLS002706629; NSC115980; ZINC31672178; NSC-115980	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115980	.	.	.	.	351.8	C20H18ClN3O	44.7	482	4.8	25	1	3	4	"InChI=1S/C20H18ClN3O/c1-24(2)16-11-10-15(19(21)12-16)13-22-23-20(25)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3,(H,23,25)/b22-13+"	CN(C)C1=CC(=C(C=C1)/C=N/NC(=O)C2=CC=CC3=CC=CC=C32)Cl	DRFOYVAYYXQSPB-LPYMAVHISA-N
DG64021	"Hydantoin, 1-((5-(p-fluorophenyl)-2-furanyl)methyleneamino)-"	9568687	"16118-18-6; 1-((5-(p-Fluorophenyl)-2-furanyl)methyleneamino)hydantoin; Hydantoin, 1-((5-(p-fluorophenyl)-2-furanyl)methyleneamino)-; 1-((5-(p-Fluorophenyl)-2-furanyl)methyleneamino)-2,4-imidazolidinedione; 1-[[[5-(4-Fluorophenyl)furan-2-yl]methylene]amino]-2,4-imidazolidinedione; 1-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione; NSC 305530; BRN 0686023; 1-[[5-(p-Fluorophenyl)-2-furanyl]methyleneamino]hydantoin; Hydantoin, 1-[[5-(p-fluorophenyl)-2-furanyl]methyleneamino]-; 1-[[5-(p-Fluorophenyl)-2-furanyl]methyleneamino]-2,4-imidazolidinedione; NSC305530; SCHEMBL6581887; CHEMBL1969939; ZINC17109586; NSC-305530; A810592; 2, 1-[[[5-(4-fluorophenyl)-2-furanyl]methylene]amino]-; 2,4-Imidazolidinedione, 1-(((5-(4-fluorophenyl)-2-furanyl)methylene)amino)- (9CI); 1-[(E)-[5-(4-fluorophenyl)-2-furyl]methyleneamino]imidazolidine-2,4-dione;Methyl 5-acetylsalicylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305530	.	.	.	.	287.25	C14H10FN3O3	74.9	449	2	21	1	5	3	"InChI=1S/C14H10FN3O3/c15-10-3-1-9(2-4-10)12-6-5-11(21-12)7-16-18-8-13(19)17-14(18)20/h1-7H,8H2,(H,17,19,20)/b16-7+"	C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)F	HPRIXHPEHLVITL-FRKPEAEDSA-N
DG64022	"Stannane, dibutyldithiocyanato-"	9569306	"Stannane, dibutyldithiocyanato-; 23654-18-4; NSC202858; DTXSID30430356; ZINC195904731; NSC-202858; NCI60_001706"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	202858	.	.	.	.	349.1	C10H18N2S2Sn	98.2	235	.	15	0	4	8	"InChI=1S/2C4H9.2CHNS.Sn/c2*1-3-4-2;2*2-1-3;/h2*1,3-4H2,2H3;2*3H;/q;;;;+2/p-2"	CCCC[Sn](CCCC)(SC#N)SC#N	JHZWKDMAVKVNDM-UHFFFAOYSA-L
DG64023	"2-Pyridinecarboxaldehyde, (4-methyl-2-quinolinyl)hydrazone"	9569341	"MLS003170807; 2-Pyridinecarboxaldehyde, (4-methyl-2-quinolinyl)hydrazone; 71508-71-9; 4-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinolin-2-amine; NSC332425; DTXSID70430370; ZINC17127123; NSC-332425"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332425	.	.	.	.	262.31	C16H14N4	50.2	330	3.8	20	1	4	3	"InChI=1S/C16H14N4/c1-12-10-16(19-15-8-3-2-7-14(12)15)20-18-11-13-6-4-5-9-17-13/h2-11H,1H3,(H,19,20)/b18-11+"	CC1=CC(=NC2=CC=CC=C12)N/N=C/C3=CC=CC=N3	IGPVPTZWRCVXDL-WOJGMQOQSA-N
DG64024	4-Methyl-N-[(E)-1-pyridin-2-ylethylideneamino]quinolin-2-amine	9569343	70845-37-3; 4-Methyl-N-[(E)-1-pyridin-2-ylethylideneamino]quinolin-2-amine; MLS003170808; NSC332427; ZINC17127129; AKOS000983363; NSC-332427; 4-Methyl-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)quinoline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332427	.	.	.	.	276.34	C17H16N4	50.2	368	4	21	1	4	3	"InChI=1S/C17H16N4/c1-12-11-17(19-16-9-4-3-7-14(12)16)21-20-13(2)15-8-5-6-10-18-15/h3-11H,1-2H3,(H,19,21)/b20-13+"	CC1=CC(=NC2=CC=CC=C12)N/N=C(\\C)/C3=CC=CC=N3	CVDUGZRMCGEUJY-DEDYPNTBSA-N
DG64025	"4,6-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]quinolin-2-amine"	9569345	MLS003170809; NSC332430; ZINC17127135; NSC-332430	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332430	.	.	.	.	290.4	C18H18N4	50.2	395	4.4	22	1	4	3	"InChI=1S/C18H18N4/c1-12-7-8-17-15(10-12)13(2)11-18(20-17)22-21-14(3)16-6-4-5-9-19-16/h4-11H,1-3H3,(H,20,22)/b21-14+"	CC1=CC2=C(C=C1)N=C(C=C2C)N/N=C(\\C)/C3=CC=CC=N3	MQAAKPITBPYSEY-KGENOOAVSA-N
DG64026	6-methoxy-4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]quinolin-2-amine	9569350	MLS002701821; NSC332436; ZINC5552743; NSC-332436	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332436	.	.	.	.	306.4	C18H18N4O	59.4	414	4	23	1	5	4	"InChI=1S/C18H18N4O/c1-12-10-18(20-17-8-7-14(23-3)11-15(12)17)22-21-13(2)16-6-4-5-9-19-16/h4-11H,1-3H3,(H,20,22)/b21-13+"	CC1=CC(=NC2=C1C=C(C=C2)OC)N/N=C(\\C)/C3=CC=CC=N3	JMBDCADTMYGNQO-FYJGNVAPSA-N
DG64027	"2-[(E)-(benzoylhydrazinylidene)methyl]-4,6-dichlorophenolate;cobalt(2+)"	9569757	NSC615376; NSC-615376	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615376	.	.	.	.	675.2	C28H18Cl4CoN4O4	129	793	.	41	2	6	2	"InChI=1S/2C14H10Cl2N2O2.Co/c2*15-11-6-10(13(19)12(16)7-11)8-17-18-14(20)9-4-2-1-3-5-9;/h2*1-8,19H,(H,18,20);/q;;+2/p-2/b2*17-8+;"	C1=CC=C(C=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)[O-].C1=CC=C(C=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)[O-].[Co+2]	NNNWPVZEOMHZHA-QZYMEUQESA-L
DG64028	"2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;manganese(2+)"	9569769	NSC617574; NSC-617574	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617574	.	.	.	.	703.2	C28H18Cl4MnN4O6	170	868	.	43	4	8	2	"InChI=1S/2C14H10Cl2N2O3.Mn/c2*15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19;/h2*1-7,19-20H,(H,18,21);/q;;+2/p-2/b2*17-7+;"	C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Mn+2]	KZNGFHUNEWYTGK-CNHJQGRJSA-L
DG64029	"2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(3+);chloride"	9569770	NSC617575; NSC-617575	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617575	.	.	.	.	739.6	C28H18Cl5FeN4O6	170	868	.	44	4	9	2	"InChI=1S/2C14H10Cl2N2O3.ClH.Fe/c2*15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19;;/h2*1-7,19-20H,(H,18,21);1H;/q;;;+3/p-3/b2*17-7+;;"	C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Cl-].[Fe+3]	IOSVCLKYAMUXDO-FNSWOEPPSA-K
DG64030	"2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(2+)"	9569771	NSC617576; NSC-617576	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617576	.	.	.	.	704.1	C28H18Cl4FeN4O6	170	868	.	43	4	8	2	"InChI=1S/2C14H10Cl2N2O3.Fe/c2*15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19;/h2*1-7,19-20H,(H,18,21);/q;;+2/p-2/b2*17-7+;"	C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Fe+2]	QATSFXRRCSSNTE-CNHJQGRJSA-L
DG64031	"cobalt(2+);2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate"	9569772	NSC617577; NSC-617577	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617577	.	.	.	.	707.2	C28H18Cl4CoN4O6	170	868	.	43	4	8	2	"InChI=1S/2C14H10Cl2N2O3.Co/c2*15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19;/h2*1-7,19-20H,(H,18,21);/q;;+2/p-2/b2*17-7+;"	C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Co+2]	MXAPWQBGUKNBCH-CNHJQGRJSA-L
DG64032	"2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;nickel(2+)"	9569773	NSC617578; NSC-617578	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617578	.	.	.	.	707	C28H18Cl4N4NiO6	170	868	.	43	4	8	2	"InChI=1S/2C14H10Cl2N2O3.Ni/c2*15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19;/h2*1-7,19-20H,(H,18,21);/q;;+2/p-2/b2*17-7+;"	C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Ni+2]	KPYXOSGYQCFFJJ-CNHJQGRJSA-L
DG64033	"copper;2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate"	9569774	NSC617579; NSC-617579	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617579	.	.	.	.	711.8	C28H18Cl4CuN4O6	170	868	.	43	4	8	2	"InChI=1S/2C14H10Cl2N2O3.Cu/c2*15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19;/h2*1-7,19-20H,(H,18,21);/q;;+2/p-2/b2*17-7+;"	C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Cu+2]	YVROQYVQEJQOGT-CNHJQGRJSA-L
DG64034	"zinc;2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate"	9569775	NSC617580; NSC-617580	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617580	.	.	.	.	713.7	C28H18Cl4N4O6Zn	170	868	.	43	4	8	2	"InChI=1S/2C14H10Cl2N2O3.Zn/c2*15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19;/h2*1-7,19-20H,(H,18,21);/q;;+2/p-2/b2*17-7+;"	C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Zn+2]	KHUFPNHXBAPEEZ-CNHJQGRJSA-L
DG64035	"2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;manganese(2+)"	9569776	NSC617582; NSC-617582	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617582	.	.	.	.	881	C28H18Br4MnN4O6	170	868	.	43	4	8	2	"InChI=1S/2C14H10Br2N2O3.Mn/c2*15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19;/h2*1-7,19-20H,(H,18,21);/q;;+2/p-2/b2*17-7+;"	C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Br)Br)[O-])O.[Mn+2]	ZVDCPMNPYIGRQM-CNHJQGRJSA-L
DG64036	"2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(3+);chloride"	9569777	NSC617583; NSC-617583	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617583	.	.	.	.	917.4	C28H18Br4ClFeN4O6	170	868	.	44	4	9	2	"InChI=1S/2C14H10Br2N2O3.ClH.Fe/c2*15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19;;/h2*1-7,19-20H,(H,18,21);1H;/q;;;+3/p-3/b2*17-7+;;"	C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Br)Br)[O-])O.[Cl-].[Fe+3]	IVUNCVVTLRCFGA-FNSWOEPPSA-K
DG64037	"2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(2+)"	9569778	NSC617584; NSC-617584	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617584	.	.	.	.	881.9	C28H18Br4FeN4O6	170	868	.	43	4	8	2	"InChI=1S/2C14H10Br2N2O3.Fe/c2*15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19;/h2*1-7,19-20H,(H,18,21);/q;;+2/p-2/b2*17-7+;"	C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Br)Br)[O-])O.[Fe+2]	YCGGVMSIBWSMML-CNHJQGRJSA-L
DG64038	"cobalt(2+);2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate"	9569779	NSC617585; NSC-617585	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617585	.	.	.	.	885	C28H18Br4CoN4O6	170	868	.	43	4	8	2	"InChI=1S/2C14H10Br2N2O3.Co/c2*15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19;/h2*1-7,19-20H,(H,18,21);/q;;+2/p-2/b2*17-7+;"	C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Br)Br)[O-])O.[Co+2]	PFEVDZPNJOJMSN-CNHJQGRJSA-L
DG64039	"2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;nickel(2+)"	9569780	NSC617586; NSC-617586	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617586	.	.	.	.	884.8	C28H18Br4N4NiO6	170	868	.	43	4	8	2	"InChI=1S/2C14H10Br2N2O3.Ni/c2*15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19;/h2*1-7,19-20H,(H,18,21);/q;;+2/p-2/b2*17-7+;"	C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Br)Br)[O-])O.[Ni+2]	QOTVMIDLSPOOGV-CNHJQGRJSA-L
DG64040	"copper;2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate"	9569781	NSC617587; NSC-617587	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617587	.	.	.	.	889.6	C28H18Br4CuN4O6	170	868	.	43	4	8	2	"InChI=1S/2C14H10Br2N2O3.Cu/c2*15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19;/h2*1-7,19-20H,(H,18,21);/q;;+2/p-2/b2*17-7+;"	C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Br)Br)[O-])O.[Cu+2]	UQKNQZDRXBFIPR-CNHJQGRJSA-L
DG64041	"zinc;2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate"	9569782	NSC617588; NSC-617588	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617588	.	.	.	.	891.5	C28H18Br4N4O6Zn	170	868	.	43	4	8	2	"InChI=1S/2C14H10Br2N2O3.Zn/c2*15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19;/h2*1-7,19-20H,(H,18,21);/q;;+2/p-2/b2*17-7+;"	C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Br)Br)[O-])O.[Zn+2]	NHSHEPZQAWHBKP-CNHJQGRJSA-L
DG64042	N'-(1-phenylethylidene)benzenesulfonohydrazide	9569840	N'-(1-phenylethylidene)benzenesulfonohydrazide; 1667723-82-1; N-[(E)-1-phenylethylideneamino]benzenesulfonamide; (E)-N'-(1-phenylethylidene)benzenesulfonohydrazide; NSC622084; MLS000714108; SCHEMBL6634232; CHEMBL1998701; ZINC13140226; AKOS000599121; NSC-622084; SMR000273588; AG-205/06490006; SR-01000358510; SR-01000358510-1; F0777-1626; N'-[(E)-1-PHENYLETHYLIDENE]BENZENESULFONOHYDRAZIDE; 56975-77-0	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622084	.	.	.	.	274.34	C14H14N2O2S	66.9	400	2.7	19	1	4	4	"InChI=1S/C14H14N2O2S/c1-12(13-8-4-2-5-9-13)15-16-19(17,18)14-10-6-3-7-11-14/h2-11,16H,1H3/b15-12+"	C/C(=N\\NS(=O)(=O)C1=CC=CC=C1)/C2=CC=CC=C2	WXWKWIKTRTXOIW-NTCAYCPXSA-N
DG64043	"(3Z)-1,1-dimethyl-3-(4-phenyl-5-phenylimino-1,2,4-dithiazolidin-3-ylidene)thiourea"	9569854	NSC622577; CHEMBL2004262; NSC-622577	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622577	.	.	.	.	372.5	C17H16N4S3	114	506	4.6	24	0	4	2	"InChI=1S/C17H16N4S3/c1-20(2)15(22)19-17-21(14-11-7-4-8-12-14)16(23-24-17)18-13-9-5-3-6-10-13/h3-12H,1-2H3/b18-16 ,19-17-"	CN(C)C(=S)/N=C\\1/N(C(=NC2=CC=CC=C2)SS1)C3=CC=CC=C3	DXNDTEDEDHZVKV-BGPQIKKZSA-N
DG64044	"(3Z)-3-[(5Z)-5-(benzenesulfonylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	9569855	NSC622578; CHEMBL1997092; NSC-622578	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622578	.	.	.	.	436.6	C17H16N4O2S4	156	703	4.2	27	0	6	3	"InChI=1S/C17H16N4O2S4/c1-20(2)15(24)18-16-21(13-9-5-3-6-10-13)17(26-25-16)19-27(22,23)14-11-7-4-8-12-14/h3-12H,1-2H3/b18-16-,19-17-"	CN(C)C(=S)/N=C\\1/N(/C(=N/S(=O)(=O)C2=CC=CC=C2)/SS1)C3=CC=CC=C3	DDYHZFMYFSEZGK-YGGBKCGDSA-N
DG64045	"Carbamimidothioic acid,N-dimethyl-N'-[(phenylimino) (methylthio)methyl]-, phenylmethyl ester, hydroiodide"	9569856	"NSC622579; CHEMBL1967955; NSC-622579; Carbamimidothioic acid,N-dimethyl-N'-[(phenylimino) (methylthio)methyl]-, phenylmethyl ester, hydroiodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622579	.	.	.	.	471.4	C18H22IN3S2	78.6	395	.	24	1	3	7	"InChI=1S/C18H21N3S2.HI/c1-21(2)18(23-14-15-10-6-4-7-11-15)20-17(22-3)19-16-12-8-5-9-13-16;/h4-13H,14H2,1-3H3;1H/b19-17 ,20-18-;"	CN(C)/C(=N/C(=NC1=CC=CC=C1)SC)/SCC2=CC=CC=C2.I	GLYBAERSCQCHDX-IOVNUJLDSA-N
DG64046	"(3Z)-3-[(5Z)-4-[4-(dimethylamino)phenyl]-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	9569857	NSC622582; CHEMBL2005016; NSC-622582	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622582	.	.	.	.	426.7	C16H22N6S4	153	556	3.6	26	0	5	2	"InChI=1S/C16H22N6S4/c1-19(2)11-7-9-12(10-8-11)22-15(17-13(23)20(3)4)25-26-16(22)18-14(24)21(5)6/h7-10H,1-6H3/b17-15-,18-16-"	CN(C1=CC=C(C=C1)N\\2/C(=N/C(=S)N(C)C)/SS/C2=N\\C(=S)N(C)C)C	GUMQXHUNOMRTJY-IQRFGFHNSA-N
DG64047	"(3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-(4-methoxyphenyl)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	9569860	NSC622586; CHEMBL2007166; CCG-35620; NSC-622586	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622586	.	.	.	.	413.6	C15H19N5OS4	158	532	3.4	25	0	5	2	"InChI=1S/C15H19N5OS4/c1-18(2)12(22)16-14-20(10-6-8-11(21-5)9-7-10)15(25-24-14)17-13(23)19(3)4/h6-9H,1-5H3/b16-14-,17-15-"	CN(C(=S)/N=C/1\\SS/C(=N\\C(=S)N(C)C)/N1C2=CC=C(C=C2)OC)C	BXJMRIJZCFXCDB-RYOQUFEFSA-N
DG64048	"[5-(N-[(Z)-N-(dimethylcarbamothioyl)-C-methylsulfanylcarbonimidoyl]anilino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium;iodide"	9569862	NSC622588; CHEMBL1978538; NSC-622588	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622588	.	.	.	.	525.5	C15H20IN5S4	142	560	.	25	0	5	4	"InChI=1S/C15H20N5S4.HI/c1-18(2)12(21)16-14(22-5)20(11-9-7-6-8-10-11)15-17-13(19(3)4)23-24-15;/h6-10H,1-5H3;1H/q+1;/p-1/b16-14-;"	CN(C)C(=S)/N=C(/N(C1=CC=CC=C1)C2=NC(=[N+](C)C)SS2)\\SC.[I-]	NXCIIUUQQOTZQO-ULQCMBKMSA-M
DG64049	"(3Z)-3-[(5Z)-4-(1,3-benzodioxol-5-yl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	9569863	NSC622589; CHEMBL2001565; SCHEMBL20526876; CCG-35581; NSC-622589	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622589	.	.	.	.	427.6	C15H17N5O2S4	168	602	3.3	26	0	6	1	"InChI=1S/C15H17N5O2S4/c1-18(2)12(23)16-14-20(15(26-25-14)17-13(24)19(3)4)9-5-6-10-11(7-9)22-8-21-10/h5-7H,8H2,1-4H3/b16-14-,17-15-"	CN(C(=S)/N=C/1\\SS/C(=N\\C(=S)N(C)C)/N1C2=CC3=C(OCO3)C=C2)C	XUGJFKHVMVEQAN-RYOQUFEFSA-N
DG64050	"(3Z)-3-[(5Z)-4-cyclohexyl-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	9569864	NSC622592; CHEMBL1996806; NSC-622592	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622592	.	.	.	.	389.6	C14H23N5S4	149	485	3.7	23	0	4	1	"InChI=1S/C14H23N5S4/c1-17(2)11(20)15-13-19(10-8-6-5-7-9-10)14(23-22-13)16-12(21)18(3)4/h10H,5-9H2,1-4H3/b15-13-,16-14-"	CN(C(=S)/N=C/1\\SS/C(=N\\C(=S)N(C)C)/N1C2CCCCC2)C	CAOPUZXLQRIKTB-VMNXYWKNSA-N
DG64051	"(3Z)-3-[(5Z)-4-(4-chlorophenyl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	9569867	NSC622595; CHEMBL1964691; NSC-622595	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622595	.	.	.	.	418	C14H16ClN5S4	149	517	4.1	24	0	4	1	"InChI=1S/C14H16ClN5S4/c1-18(2)11(21)16-13-20(10-7-5-9(15)6-8-10)14(24-23-13)17-12(22)19(3)4/h5-8H,1-4H3/b16-13-,17-14-"	CN(C(=S)/N=C/1\\SS/C(=N\\C(=S)N(C)C)/N1C2=CC=C(C=C2)Cl)C	FOEQEQZVBLLSBB-YKVSKMSXSA-N
DG64052	"ethyl (NZ)-N-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]carbamate"	9569868	NSC622598; CHEMBL1968261; NSC-622598	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622598	.	.	.	.	368.5	C14H16N4O2S3	140	516	3.6	23	0	5	3	"InChI=1S/C14H16N4O2S3/c1-4-20-14(19)16-13-18(10-8-6-5-7-9-10)12(22-23-13)15-11(21)17(2)3/h5-9H,4H2,1-3H3/b15-12-,16-13-"	CCOC(=O)/N=C\\1/N(/C(=N/C(=S)N(C)C)/SS1)C2=CC=CC=C2	OCCPLNGXISLYIY-BNXAACBSSA-N
DG64053	"(3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylurea"	9569869	NSC622600; CHEMBL1974182; NSC-622600	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622600	.	.	.	.	367.5	C14H17N5OS3	134	527	2.9	23	0	4	1	"InChI=1S/C14H17N5OS3/c1-17(2)11(20)15-13-19(10-8-6-5-7-9-10)14(23-22-13)16-12(21)18(3)4/h5-9H,1-4H3/b15-13-,16-14-"	CN(C)C(=O)/N=C\\1/N(/C(=N/C(=S)N(C)C)/SS1)C2=CC=CC=C2	ICECZHHAXIVRJW-VMNXYWKNSA-N
DG64054	"N-(4-(Dimethylamino)-5-(((dimethylamino)carbothioyl)imino)-1,2,4-dithiazolidin-3-ylidene)benzenesulfonamide"	9569870	"NSC622606; CHEMBL1999273; NSC-622606; (3Z)-3-[(5Z)-5-(benzenesulfonylimino)-4-(dimethylamino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethyl-thiourea; N-(4-(Dimethylamino)-5-(((dimethylamino)carbothioyl)imino)-1,2,4-dithiazolidin-3-ylidene)benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622606	.	.	.	.	403.6	C13H17N5O2S4	160	633	2.9	24	0	7	3	"InChI=1S/C13H17N5O2S4/c1-16(2)11(21)14-12-18(17(3)4)13(23-22-12)15-24(19,20)10-8-6-5-7-9-10/h5-9H,1-4H3/b14-12-,15-13-"	CN(C)C(=S)/N=C\\1/N(/C(=N/S(=O)(=O)C2=CC=CC=C2)/SS1)N(C)C	IXTLPIZOWXPZND-DZDAAMPGSA-N
DG64055	1-(1-adamantyl)-3-[(E)-benzylideneamino]thiourea	9569873	NSC622624; CHEMBL2003113; ZINC33488827; NSC-622624; Benzaldehyde N-(1-adamantyl)thiosemicarbazone; 1-(1-adamantyl)-3-[(E)-benzylideneamino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622624	.	.	.	.	313.5	C18H23N3S	68.5	412	4.3	22	2	2	3	"InChI=1S/C18H23N3S/c22-17(21-19-12-13-4-2-1-3-5-13)20-18-9-14-6-15(10-18)8-16(7-14)11-18/h1-5,12,14-16H,6-11H2,(H2,20,21,22)/b19-12+"	C1C2CC3CC1CC(C2)(C3)NC(=S)N/N=C/C4=CC=CC=C4	BWRCFVJIJQGTIW-XDHOZWIPSA-N
DG64056	"N,N-Dimethyl-N'-(5-(methylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene)thiourea"	9569880	"NSC622673; CHEMBL1984088; NSC-622673; (3Z)-1,1-dimethyl-3-[(5Z)-5-methylimino-4-phenyl-1,2,4-dithiazolidin-3-ylidene]thiourea; N,N-Dimethyl-N'-(5-(methylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene)thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622673	.	.	.	.	310.5	C12H14N4S3	114	400	3	19	0	4	1	"InChI=1S/C12H14N4S3/c1-13-11-16(9-7-5-4-6-8-9)12(19-18-11)14-10(17)15(2)3/h4-8H,1-3H3/b13-11 ,14-12-"	CN=C1N(/C(=N/C(=S)N(C)C)/SS1)C2=CC=CC=C2	CLWMHGBILJEHBA-GZEYDJJDSA-N
DG64057	N-(Imino(1-piperidinyl)methyl)-1-piperidinecarbothioamide	9569882	NSC622676; CHEMBL1971421; NSC-622676; NCI60_006716; N-(Imino(1-piperidinyl)methyl)-1-piperidinecarbothioamide; N-(piperidine-1-carboximidoyl)piperidine-1-carbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622676	.	.	.	.	254.4	C12H22N4S	77	291	1.5	17	1	1	1	"InChI=1S/C12H22N4S/c13-11(15-7-3-1-4-8-15)14-12(17)16-9-5-2-6-10-16/h1-10H2,(H2,13,14,17)"	C1CCN(CC1)/C(=N/C(=S)N2CCCCC2)/N	DZWLSYYQJOCSEI-UHFFFAOYSA-N
DG64058	"N,N-Dimethyl-N'-(4-phenyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)thiourea"	9569883	"NSC622680; CHEMBL1998726; NSC-622680; N,N-Dimethyl-N'-(4-phenyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)thiourea; (3Z)-1,1-dimethyl-3-(4-phenyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622680	.	.	.	.	313.5	C11H11N3S4	134	375	3.4	18	0	4	1	"InChI=1S/C11H11N3S4/c1-13(2)9(15)12-10-14(11(16)18-17-10)8-6-4-3-5-7-8/h3-7H,1-2H3/b12-10-"	CN(C)C(=S)/N=C\\1/N(C(=S)SS1)C2=CC=CC=C2	DIAZUBDZEAMEMY-BENRWUELSA-N
DG64059	"[(E)-1-(3,4-dimethylphenyl)ethylideneamino]thiourea"	9569886	NSC622698; CHEMBL1970332; ZINC17189101; NSC-622698	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622698	.	.	.	.	221.32	C11H15N3S	82.5	263	2.2	15	2	2	2	"InChI=1S/C11H15N3S/c1-7-4-5-10(6-8(7)2)9(3)13-14-11(12)15/h4-6H,1-3H3,(H3,12,14,15)/b13-9+"	CC1=C(C=C(C=C1)/C(=N/NC(=S)N)/C)C	MMRXEGMXAFJIBQ-UKTHLTGXSA-N
DG64060	"2',4'-Dimethylacetophenone thiosemicarbazone"	9569887	"NSC622701; CHEMBL1993168; ZINC17189106; NSC-622701; 2',4'-dimethylacetophenone thiosemicarbazone; 132898-29-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622701	.	.	.	.	221.32	C11H15N3S	82.5	263	2.2	15	2	2	2	"InChI=1S/C11H15N3S/c1-7-4-5-10(8(2)6-7)9(3)13-14-11(12)15/h4-6H,1-3H3,(H3,12,14,15)/b13-9+"	CC1=CC(=C(C=C1)/C(=N/NC(=S)N)/C)C	LTHOLBGWPSXPJV-UKTHLTGXSA-N
DG64061	[chloro(diphenyl)stannyl] (1E)-1-cyano-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]methanimidothioate	9569898	NSC623158; NSC-623158	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623158	.	.	.	.	539.7	C23H21ClN4SSn	77	621	.	30	0	5	7	"InChI=1S/C11H12N4S.2C6H5.ClH.Sn/c1-15(2)10-5-3-9(4-6-10)8-13-14-11(16)7-12;2*1-2-4-6-5-3-1;;/h3-6,8H,1-2H3,(H,14,16);2*1-5H;1H;/q;;;;+2/p-2/b13-8+;;;;"	CN(C)C1=CC=C(C=C1)/C=N/N=C(\\C#N)/S[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)Cl	ZUJGOQTYEGYBMW-MEVDHSCASA-L
DG64062	N-[(E)-[4-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]methylideneamino]benzenesulfonamide	9569900	NSC623229; CHEMBL1978676; ZINC34171920; NSC-623229	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623229	.	.	.	.	442.5	C20H18N4O4S2	134	712	3.1	30	2	8	8	"InChI=1S/C20H18N4O4S2/c25-29(26,19-7-3-1-4-8-19)23-21-15-17-11-13-18(14-12-17)16-22-24-30(27,28)20-9-5-2-6-10-20/h1-16,23-24H/b21-15+,22-16+"	C1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=CC=C(C=C2)/C=N/NS(=O)(=O)C3=CC=CC=C3	RXDKVYZMLCDVMV-YHARCJFQSA-N
DG64063	1-[(E)-benzylideneamino]-3-(2-phenylchroman-4-yl)thiourea	9569902	"NSC623626; CHEMBL2002198; NSC-623626; 1-[(E)-benzylideneamino]-3-(2-phenylchroman-4-yl)thiourea; Benzaldehyde N-(2-phenyl-3,4-dihydro-2H-chromen-4-yl)thiosemicarbazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623626	.	.	.	.	387.5	C23H21N3OS	77.7	528	4.8	28	2	3	4	"InChI=1S/C23H21N3OS/c28-23(26-24-16-17-9-3-1-4-10-17)25-20-15-22(18-11-5-2-6-12-18)27-21-14-8-7-13-19(20)21/h1-14,16,20,22H,15H2,(H2,25,26,28)/b24-16+"	C1C(C2=CC=CC=C2OC1C3=CC=CC=C3)NC(=S)N/N=C/C4=CC=CC=C4	SUZFIXDOJRIJQR-LFVJCYFKSA-N
DG64064	N-[(E)-[3-(dimethylamino)-1-phenylpropylidene]amino]aniline;hydrochloride	9569913	NSC625220; CHEMBL1995545; NSC-625220	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625220	.	.	.	.	303.8	C17H22ClN3	27.6	287	.	21	2	3	6	"InChI=1S/C17H21N3.ClH/c1-20(2)14-13-17(15-9-5-3-6-10-15)19-18-16-11-7-4-8-12-16;/h3-12,18H,13-14H2,1-2H3;1H/b19-17+;"	CN(C)CC/C(=N\\NC1=CC=CC=C1)/C2=CC=CC=C2.Cl	WMNKLMSUHCZMDI-ZJSKVYKZSA-N
DG64065	[(E)-1-(4-phenoxyphenyl)ethylideneamino]thiourea	9569914	NSC625223; CHEMBL109893; SCHEMBL5531907; ZINC5503003; BDBM50148050; STL297573; AKOS022096380; NSC-625223; 1-(4-Phenoxyphenyl)ethanone thiosemicarbazone; [(E)-1-(4-phenoxyphenyl)ethylideneamino]thiourea; (1E)-1-(4-phenoxyphenyl)ethan-1-one thiosemicarbazone; (2E)-2-[1-(4-phenoxyphenyl)ethylidene]hydrazinecarbothioamide; 712349-48-9	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625223	.	.	.	.	285.4	C15H15N3OS	91.7	345	3	20	2	3	4	"InChI=1S/C15H15N3OS/c1-11(17-18-15(16)20)12-7-9-14(10-8-12)19-13-5-3-2-4-6-13/h2-10H,1H3,(H3,16,18,20)/b17-11+"	C/C(=N\\NC(=S)N)/C1=CC=C(C=C1)OC2=CC=CC=C2	WHIVBHRWDXJLBI-GZTJUZNOSA-N
DG64066	"1-Benzyl-3,4,5-tris(benzyloxy)-2-piperidinecarbaldehyde oxime"	9569915	"NSC625418; NSC625417; CHEMBL1971714; NSC-625417; NSC-625418; 1-Benzyl-3,4,5-tris(benzyloxy)-2-piperidinecarbaldehyde oxime; (2E)-1-benzyl-3,4,5-tribenzyloxy-piperidine-2-carbaldehyde oxime; N-Benzyl-2(R)-formyl-3(R),4(R),5(S)-tribenzyloxy piperidine oxime, 0.5 hydrate; N-Benzyl-2(R)-formyl-3(R),5(S)-tribenzyloxy piperidine oxime, 0.5 hydrate; N-Benzyl-2(S)-formyl-3(R),4(R),5(S)- tribenzyloxypiperidine oxime, 0.5 hydrate; N-Benzyl-2(S)-formyl-3(R),5(S)- tribenzyloxypiperidine oxime, 0.5 hydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625418	.	.	.	.	536.7	C34H36N2O4	63.5	711	5.6	40	1	6	12	"InChI=1S/C34H36N2O4/c37-35-21-31-33(39-25-29-17-9-3-10-18-29)34(40-26-30-19-11-4-12-20-30)32(38-24-28-15-7-2-8-16-28)23-36(31)22-27-13-5-1-6-14-27/h1-21,31-34,37H,22-26H2/b35-21+"	C1C(C(C(C(N1CC2=CC=CC=C2)/C=N/O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5	IQGGUGHLOLGMLY-XICOUIIWSA-N
DG64067	2-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid	9569917	NSC625733; NSC-625733	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625733	.	.	.	.	485	C23H21ClN4O4S	146	624	.	33	4	6	4	"InChI=1S/C16H13ClN4O.C7H8O3S/c17-15-12-7-3-1-5-10(12)14(9-19-20-16(18)21-22)11-6-2-4-8-13(11)15;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,22H,(H3,18,20,21);2-5H,1H3,(H,8,9,10)/b19-9-;"	CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Cl)/C=N\\N=C(/N)\\NO	WIWXYOQIKBEVIB-MYOVXYCFSA-N
DG64068	"2-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid"	9569923	NSC625736; NSC-625736	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625736	.	.	.	.	408.4	C17H20N4O6S	164	514	.	28	4	8	4	"InChI=1S/C10H12N4O3.C7H8O3S/c11-10(14-15)13-12-6-7-1-2-8-9(5-7)17-4-3-16-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5-6,15H,3-4H2,(H3,11,13,14);2-5H,1H3,(H,8,9,10)/b12-6+;"	CC1=CC=C(C=C1)S(=O)(=O)O.C1COC2=C(O1)C=CC(=C2)/C=N/N=C(\\N)/NO	CHLSZIIGELHFCY-WXIWBVQFSA-N
DG64069	"2,3-Dichloro-4-((3-hydroxy-2-naphthoyl)hydrazono)-2-butenoic acid"	9569937	"NSC625817; CHEMBL1980347; NSC-625817; 2,3-Dichloro-4-((3-hydroxy-2-naphthoyl)hydrazono)-2-butenoic acid; (E,4E)-2,3-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)hydrazono]but-2-enoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625817	.	.	.	.	353.2	C15H10Cl2N2O4	99	536	4.1	23	3	5	4	"InChI=1S/C15H10Cl2N2O4/c16-11(13(17)15(22)23)7-18-19-14(21)10-5-8-3-1-2-4-9(8)6-12(10)20/h1-7,20H,(H,19,21)(H,22,23)/b13-11+,18-7+"	C1=CC=C2C=C(C(=CC2=C1)C(=O)N/N=C/C(=C(/C(=O)O)\\Cl)/Cl)O	XWFAWFZGTCKBSI-NXEYJXPOSA-N
DG64070	"N-(3,4-Dimethylphenyl)-4-(2-((3-hydroxy-2-naphthoyl)hydrazono)-5-oxocyclohexyl)-4-oxobutanamide"	9569938	"NSC625894; CHEMBL1999761; NSC-625894; N-(3,4-Dimethylphenyl)-4-(2-((3-hydroxy-2-naphthoyl)hydrazono)-5-oxocyclohexyl)-4-oxobutanamide; N-[(E)-[2-[4-(3,4-dimethylanilino)-4-oxo-butanoyl]-4-oxo-cyclohexylidene]amino]-3-hydroxy-naphthalene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625894	.	.	.	.	499.6	C29H29N3O5	125	902	3.7	37	3	6	7	"InChI=1S/C29H29N3O5/c1-17-7-8-21(13-18(17)2)30-28(36)12-11-26(34)23-16-22(33)9-10-25(23)31-32-29(37)24-14-19-5-3-4-6-20(19)15-27(24)35/h3-8,13-15,23,35H,9-12,16H2,1-2H3,(H,30,36)(H,32,37)/b31-25+"	CC1=C(C=C(C=C1)NC(=O)CCC(=O)C\\2CC(=O)CC/C2=N\\NC(=O)C3=CC4=CC=CC=C4C=C3O)C	DWOPCJAXIGCQEV-QCKNELIISA-N
DG64071	Dibenzyl-bis(8-quinolylsulfanyl)stannane	9569947	NSC628590; ZINC195905499; NSC-628590; dibenzyl-bis(8-quinolylsulfanyl)stannane; NCI60_009232; 8-((Dibenzyl(8-quinolinylthio)stannyl)thio)quinoline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628590	.	.	.	.	621.4	C32H26N2S2Sn	76.4	636	.	37	0	4	8	"InChI=1S/2C9H7NS.2C7H7.Sn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-7-5-3-2-4-6-7;/h2*1-6,11H;2*2-6H,1H2;/q;;;;+2/p-2"	C1=CC=C(C=C1)C[Sn](CC2=CC=CC=C2)(SC3=CC=CC4=C3N=CC=C4)SC5=CC=CC6=C5N=CC=C6	ZAKBFTNZHVZBOI-UHFFFAOYSA-L
DG64072	Diphenyl-bis(8-quinolylsulfanyl)stannane	9569948	NSC628592; ZINC195905504; NSC-628592; diphenyl-bis(8-quinolylsulfanyl)stannane; NCI60_009234; 8-((Diphenyl(8-quinolinylthio)stannyl)thio)quinoline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628592	.	.	.	.	593.4	C30H22N2S2Sn	76.4	609	.	35	0	4	6	"InChI=1S/2C9H7NS.2C6H5.Sn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-2-4-6-5-3-1;/h2*1-6,11H;2*1-5H;/q;;;;+2/p-2"	C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(SC3=CC=CC4=C3N=CC=C4)SC5=CC=CC6=C5N=CC=C6	QSTLOYBHYBPUMN-UHFFFAOYSA-L
DG64073	Bis(8-quinolylsulfanyl)-divinyl-stannane	9569949	NSC628594; ZINC195905511; NSC-628594; bis(8-quinolylsulfanyl)-divinyl-stannane; NCI60_009236; Ethylene compound with 8-(((8-quinolinylthio)-.lambda.~2~-stannanyl)thio)quinoline (2:1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628594	.	.	.	.	493.2	C22H18N2S2Sn	76.4	482	.	27	0	4	6	"InChI=1S/2C9H7NS.2C2H3.Sn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-2;/h2*1-6,11H;2*1H,2H2;/q;;;;+2/p-2"	C=C[Sn](C=C)(SC1=CC=CC2=C1N=CC=C2)SC3=CC=CC4=C3N=CC=C4	MCSOMHUOVIBKIY-UHFFFAOYSA-L
DG64074	NSC629221	9569952	"[(3E,8R,10R,13S,17S)-3-(ethylcarbamoyloxyimino)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate; NSC629221; CHEMBL1967484; NSC-629221"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629221	.	.	.	.	445.6	C25H39N3O4	89	809	4.6	32	2	5	6	"InChI=1S/C25H39N3O4/c1-5-26-22(29)31-21-10-9-19-18-8-7-16-15-17(28-32-23(30)27-6-2)11-13-24(16,3)20(18)12-14-25(19,21)4/h15,18-21H,5-14H2,1-4H3,(H,26,29)(H,27,30)/b28-17+/t18-,19 ,20 ,21-,24-,25-/m0/s1"	CCNC(=O)O[C@H]1CCC2[C@@]1(CCC3[C@H]2CCC4=C/C(=N/OC(=O)NCC)/CC[C@]34C)C	ODSCMQMBEHYDCG-OFUCJYHJSA-N
DG64075	NSC629222	9569953	"[(3E,8R,10R,13S,17S)-10,13-dimethyl-3-(phenylcarbamoyloxyimino)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-phenylcarbamate; NSC629222; CHEMBL1997464; NSC-629222"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629222	.	.	.	.	541.7	C33H39N3O4	89	1010	7	40	2	5	6	"InChI=1S/C33H39N3O4/c1-32-19-17-25(36-40-31(38)35-24-11-7-4-8-12-24)21-22(32)13-14-26-27-15-16-29(33(27,2)20-18-28(26)32)39-30(37)34-23-9-5-3-6-10-23/h3-12,21,26-29H,13-20H2,1-2H3,(H,34,37)(H,35,38)/b36-25+/t26-,27 ,28 ,29-,32-,33-/m0/s1"	C[C@]12CCC3[C@H](C1CC[C@@H]2OC(=O)NC4=CC=CC=C4)CCC5=C/C(=N/OC(=O)NC6=CC=CC=C6)/CC[C@]35C	KXCPDFHIHPGJME-VGVXAYGVSA-N
DG64076	NSC629224	9569955	"3-[(E)-[(3S,8R,10R,13S)-10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]amino]oxypropanenitrile; NSC629224; CHEMBL1985910; NSC-629224"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629224	.	.	.	.	440.6	C27H40N2O3	63.8	813	4.9	32	0	5	5	"InChI=1S/C27H40N2O3/c1-26-13-11-20(32-25-6-3-4-16-30-25)18-19(26)7-8-21-22-9-10-24(29-31-17-5-15-28)27(22,2)14-12-23(21)26/h7,20-23,25H,3-6,8-14,16-18H2,1-2H3/b29-24+/t20-,21-,22 ,23 ,25 ,26-,27-/m0/s1"	C[C@]1\\2CCC3[C@H](C1CC/C2=N\\OCCC#N)CC=C4[C@@]3(CC[C@@H](C4)OC5CCCCO5)C	WIZOEYDUOXKTRB-HRTJURLTSA-N
DG64077	NSC629225	9569956	"[(E)-[(3S,8R,10R,13S)-10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]amino] N-ethylcarbamate; NSC629225; CHEMBL1977396; NSC-629225"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629225	.	.	.	.	458.6	C27H42N2O4	69.2	810	5.2	33	1	5	5	"InChI=1S/C27H42N2O4/c1-4-28-25(30)33-29-23-11-10-21-20-9-8-18-17-19(32-24-7-5-6-16-31-24)12-14-26(18,2)22(20)13-15-27(21,23)3/h8,19-22,24H,4-7,9-17H2,1-3H3,(H,28,30)/b29-23+/t19-,20-,21 ,22 ,24 ,26-,27-/m0/s1"	CCNC(=O)O/N=C/1\\CCC2[C@@]1(CCC3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC5CCCCO5)C)C	PFRLVNVJKGKXOK-HPWKMWPCSA-N
DG64078	NSC629227	9569958	"[(3S,8R,10R,13S,17E)-17-(ethylcarbamoyloxyimino)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-ethylcarbamate; NSC629227; CHEMBL1972317; NSC-629227"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629227	.	.	.	.	445.6	C25H39N3O4	89	809	4.6	32	2	5	6	"InChI=1S/C25H39N3O4/c1-5-26-22(29)31-17-11-13-24(3)16(15-17)7-8-18-19-9-10-21(28-32-23(30)27-6-2)25(19,4)14-12-20(18)24/h7,17-20H,5-6,8-15H2,1-4H3,(H,26,29)(H,27,30)/b28-21+/t17-,18-,19 ,20 ,24-,25-/m0/s1"	CCNC(=O)O[C@H]1CC[C@@]2(C3CC[C@]\\4(C([C@@H]3CC=C2C1)CC/C4=N\\OC(=O)NCC)C)C	SNAZURKPPNBWIB-MTRGYMOUSA-N
DG64079	NSC629228	9569959	"[(3S,8R,10R,13S,17E)-10,13-dimethyl-17-(propan-2-ylcarbamoyloxyimino)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-propan-2-ylcarbamate; NSC629228; CHEMBL1994948; NSC-629228"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629228	.	.	.	.	473.6	C27H43N3O4	89	866	5.4	34	2	5	6	"InChI=1S/C27H43N3O4/c1-16(2)28-24(31)33-19-11-13-26(5)18(15-19)7-8-20-21-9-10-23(27(21,6)14-12-22(20)26)30-34-25(32)29-17(3)4/h7,16-17,19-22H,8-15H2,1-6H3,(H,28,31)(H,29,32)/b30-23+/t19-,20-,21 ,22 ,26-,27-/m0/s1"	CC(C)NC(=O)O[C@H]1CC[C@@]2(C3CC[C@]\\4(C([C@@H]3CC=C2C1)CC/C4=N\\OC(=O)NC(C)C)C)C	YXEKBLFIQYTWRW-JKLLGFKGSA-N
DG64080	NSC629229	9569960	"[(3S,8R,10R,13S,17E)-10,13-dimethyl-17-(phenylcarbamoyloxyimino)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-phenylcarbamate; NSC629229; CHEMBL1976910; NSC-629229"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629229	.	.	.	.	541.7	C33H39N3O4	89	1010	6.9	40	2	5	6	"InChI=1S/C33H39N3O4/c1-32-19-17-25(39-30(37)34-23-9-5-3-6-10-23)21-22(32)13-14-26-27-15-16-29(33(27,2)20-18-28(26)32)36-40-31(38)35-24-11-7-4-8-12-24/h3-13,25-28H,14-21H2,1-2H3,(H,34,37)(H,35,38)/b36-29+/t25-,26-,27 ,28 ,32-,33-/m0/s1"	C[C@]1\\2CCC3[C@H](C1CC/C2=N\\OC(=O)NC4=CC=CC=C4)CC=C5[C@@]3(CC[C@@H](C5)OC(=O)NC6=CC=CC=C6)C	VSUCFBFLXLOUDT-HRIYISDVSA-N
DG64081	6-Cyano-5-((3-hydroxy-2-naphthoyl)hydrazono)-N-(3-(hydroxy(oxido)amino)phenyl)-6-phenylhexanamide	9569985	NSC630310; CHEMBL2001884; NSC-630310; 6-Cyano-5-((3-hydroxy-2-naphthoyl)hydrazono)-N-(3-(hydroxy(oxido)amino)phenyl)-6-phenylhexanamide; N-[(E)-[1-[cyano(phenyl)methyl]-5-(3-nitroanilino)-5-oxo-pentylidene]amino]-3-hydroxy-naphthalene-2-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630310	.	.	.	.	535.5	C30H25N5O5	160	965	5.3	40	3	7	9	"InChI=1S/C30H25N5O5/c31-19-26(20-8-2-1-3-9-20)27(14-7-15-29(37)32-23-12-6-13-24(18-23)35(39)40)33-34-30(38)25-16-21-10-4-5-11-22(21)17-28(25)36/h1-6,8-13,16-18,26,36H,7,14-15H2,(H,32,37)(H,34,38)/b33-27+"	C1=CC=C(C=C1)C(C#N)/C(=N/NC(=O)C2=CC3=CC=CC=C3C=C2O)/CCCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]	UCQHQOUILVBNLC-MUGXBBEHSA-N
DG64082	NSC630341	9569990	"2-{(2E)-2-[1-{[(2,5-Dichlorophenyl)amino]carbonyl}-3-(7-methoxy-3-methyl-1,4-dioxidoquinoxalin-2-yl)-3-oxopropylidene]hydrazino}-N,N,N-trimethyl-2-oxoethanaminium chloride; NSC630341; CHEMBL1982022; NSC-630341; [2-[(2E)-2-[1-[(2,5-dichlorophenyl)carbamoyl]-3-(7-methoxy-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-3-oxo-propylidene]hydrazino]-2-oxo-ethyl]-trimethyl-ammonium; 2-{(2E)-2-[1-{[(2,5-Dichlorophenyl)amino]carbonyl}-3-(7-methoxy-3-methyl-1,4-dioxidoquinoxalin-2-yl)-3-oxopropylidene]hydrazino}-N,N,N-trimethyl-2-oxoethanaminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630341	.	.	.	.	613.9	C25H27Cl3N6O6	143	1040	.	40	2	9	9	"InChI=1S/C25H26Cl2N6O6.ClH/c1-14-24(32(38)21-11-16(39-5)7-9-20(21)31(14)37)22(34)12-19(29-30-23(35)13-33(2,3)4)25(36)28-18-10-15(26)6-8-17(18)27;/h6-11H,12-13H2,1-5H3,(H-,28,30,35,36);1H"	CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)C(=O)C/C(=N\\NC(=O)C[N+](C)(C)C)/C(=O)NC3=C(C=CC(=C3)Cl)Cl.[Cl-]	SIDSBLWDIWMFBP-UHFFFAOYSA-N
DG64083	7-(4-Hydroxy-3-methoxyphenyl)-5-((3-hydroxy-2-naphthoyl)hydrazono)-N-(2-(hydroxy(oxido)amino)phenyl)-7-oxoheptanamide	9569991	NSC630373; CHEMBL1970075; AKOS024423205; ZINC104282443; NSC-630373; (5E)-7-(4-hydroxy-3-methoxyphenyl)-5-[(3-hydroxy-2-naphthoyl)hydrazono]-N-(2-nitrophenyl)-7-oxoheptanamide; 3-hydroxy-N-[(E)-[1-[2-(4-hydroxy-3-methoxy-phenyl)-2-oxo-ethyl]-5-(2-nitroanilino)-5-oxo-pentylidene]amino]naphthalene-2-carboxamide; 7-(4-Hydroxy-3-methoxyphenyl)-5-((3-hydroxy-2-naphthoyl)hydrazono)-N-(2-(hydroxy(oxido)amino)phenyl)-7-oxoheptanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630373	.	.	.	.	584.6	C31H28N4O8	183	1020	5.4	43	4	9	11	"InChI=1S/C31H28N4O8/c1-43-29-17-21(13-14-26(29)36)27(37)18-22(9-6-12-30(39)32-24-10-4-5-11-25(24)35(41)42)33-34-31(40)23-15-19-7-2-3-8-20(19)16-28(23)38/h2-5,7-8,10-11,13-17,36,38H,6,9,12,18H2,1H3,(H,32,39)(H,34,40)/b33-22+"	COC1=C(C=CC(=C1)C(=O)C/C(=N/NC(=O)C2=CC3=CC=CC=C3C=C2O)/CCCC(=O)NC4=CC=CC=C4[N+](=O)[O-])O	DXKQDINBZYIUQK-STKMKYKTSA-N
DG64084	"4-((Aminocarbothioyl)hydrazono)-N,1-bis(4-chloro-2-methylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide"	9569995	"NSC630901; CHEMBL1998694; NSC-630901; (4Z)-4-(carbamothioylhydrazono)-N,1-bis(4-chloro-2-methyl-phenyl)-2,5-dioxo-pyrrolidine-3-carboxamide; 4-((Aminocarbothioyl)hydrazono)-N,1-bis(4-chloro-2-methylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630901	.	.	.	.	478.4	C20H17Cl2N5O3S	149	795	4.3	31	3	5	4	"InChI=1S/C20H17Cl2N5O3S/c1-9-7-11(21)3-5-13(9)24-17(28)15-16(25-26-20(23)31)19(30)27(18(15)29)14-6-4-12(22)8-10(14)2/h3-8,15H,1-2H3,(H,24,28)(H3,23,26,31)/b25-16-"	CC1=C(C=CC(=C1)Cl)NC(=O)C2/C(=N/NC(=S)N)/C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)C	MBJQXDBYLCCINT-XYGWBWBKSA-N
DG64085	2-((3-Hydroxy-2-naphthoyl)hydrazono)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)acetamide	9570015	NSC632012; CHEMBL2001802; NSC-632012; 2-((3-Hydroxy-2-naphthoyl)hydrazono)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)acetamide; N-[(Z)-[2-amino-1-(3-imino-5-oxo-1-phenyl-pyrazolidin-4-yl)-2-oxo-ethylidene]amino]-3-hydroxy-naphthalene-2-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632012	.	.	.	.	430.4	C22H18N6O4	164	821	2.8	32	4	6	5	"InChI=1S/C22H18N6O4/c23-19-17(22(32)28(27-19)14-8-2-1-3-9-14)18(20(24)30)25-26-21(31)15-10-12-6-4-5-7-13(12)11-16(15)29/h1-11,17,29H,(H2,23,27)(H2,24,30)(H,26,31)/b25-18-"	C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)/C(=N/NC(=O)C3=CC4=CC=CC=C4C=C3O)/C(=O)N	KMXALHWMNYJUND-BWAHOGKJSA-N
DG64086	"1-amino-3-[(Z)-[2-(5,7-dichloro-3-hydroxy-2-oxo-indolin-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]urea"	9570017	"NSC632023; CHEMBL1977183; NSC-632023; 1-amino-3-[(Z)-[2-(5,7-dichloro-3-hydroxy-2-oxo-indolin-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]urea; N''-(2-(5,7-Dichloro-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene)carbonohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632023	.	.	.	.	544.4	C25H23Cl2N5O5	147	849	3.1	37	5	7	7	"InChI=1S/C25H23Cl2N5O5/c1-36-16-7-3-13(4-8-16)20(25(35)18-11-15(26)12-19(27)22(18)29-23(25)33)21(31-32-24(34)30-28)14-5-9-17(37-2)10-6-14/h3-12,20,35H,28H2,1-2H3,(H,29,33)(H2,30,32,34)/b31-21+"	COC1=CC=C(C=C1)C(/C(=N/NC(=O)NN)/C2=CC=C(C=C2)OC)C3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O	FDKCZXRZFFRTEI-NJZRLIGZSA-N
DG64087	"5-chloro-6-[2-[(2E)-2-[(3,4-dimethoxyphenyl)methylene]hydrazino]thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one"	9570019	"NSC632134; CHEMBL1994745; NSC-632134; 3,4-Dimethoxybenzaldehyde (4-(5-chloro-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl)hydrazone; 5-chloro-6-[2-[(2E)-2-[(3,4-dimethoxyphenyl)methylene]hydrazino]thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632134	.	.	.	.	444.9	C20H17ClN4O4S	114	644	4.5	30	1	8	6	"InChI=1S/C20H17ClN4O4S/c1-25-15-8-13(21)12(7-17(15)29-20(25)26)14-10-30-19(23-14)24-22-9-11-4-5-16(27-2)18(6-11)28-3/h4-10H,1-3H3,(H,23,24)/b22-9+"	CN1C2=C(C=C(C(=C2)Cl)C3=CSC(=N3)N/N=C/C4=CC(=C(C=C4)OC)OC)OC1=O	NMZCVFJKRYFQSK-LSFURLLWSA-N
DG64088	"2-[(3E)-3-[(2,4-dinitrophenyl)hydrazono]butyl]-1H-pyridazine-3,6-dione"	9570027	"NSC633923; CHEMBL1985590; ZINC17196473; NSC-633923; 2-[(3E)-3-[(2,4-dinitrophenyl)hydrazono]butyl]-1H-pyridazine-3,6-dione; 1-(3-((2,4-Bis(hydroxy(oxido)amino)phenyl)hydrazono)butyl)-1,2-dihydro-3,6-pyridazinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633923	.	.	.	.	362.3	C14H14N6O6	165	651	1.2	26	2	8	5	"InChI=1S/C14H14N6O6/c1-9(6-7-18-14(22)5-4-13(21)17-18)15-16-11-3-2-10(19(23)24)8-12(11)20(25)26/h2-5,8,16H,6-7H2,1H3,(H,17,21)/b15-9+"	C/C(=N\\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/CCN2C(=O)C=CC(=O)N2	BIPFPNMXWSKNLN-OQLLNIDSSA-N
DG64089	N'-(3-(4-Bromophenyl)-1-((4-bromophenyl)(cyano)methyl)-3-cyano-2-oxopropylidene)-2-hydroxybenzohydrazide	9570041	NSC635339; CHEMBL1991226; NSC-635339; N'-(3-(4-Bromophenyl)-1-((4-bromophenyl)(cyano)methyl)-3-cyano-2-oxopropylidene)-2-hydroxybenzohydrazide; N-[(E)-[3-(4-bromophenyl)-1-[(4-bromophenyl)-cyano-methyl]-3-cyano-2-oxo-propylidene]amino]-2-hydroxy-benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635339	.	.	.	.	580.2	C25H16Br2N4O3	126	860	6.3	34	2	6	7	"InChI=1S/C25H16Br2N4O3/c26-17-9-5-15(6-10-17)20(13-28)23(30-31-25(34)19-3-1-2-4-22(19)32)24(33)21(14-29)16-7-11-18(27)12-8-16/h1-12,20-21,32H,(H,31,34)/b30-23+"	C1=CC=C(C(=C1)C(=O)N/N=C(\\C(C#N)C2=CC=C(C=C2)Br)/C(=O)C(C#N)C3=CC=C(C=C3)Br)O	JRHDLKYYKPTMNO-JJKYIXSRSA-N
DG64090	"Methyl 2-((4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazono)-3-cyano-3-phenylpropanoate"	9570044	"NSC635397; CHEMBL1983149; NSC-635397; Methyl 2-((4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazono)-3-cyano-3-phenylpropanoate; methyl (2Z)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)hydrazono]-3-cyano-3-phenyl-propanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635397	.	.	.	.	313.31	C14H15N7O2	131	495	2.3	23	2	8	6	"InChI=1S/C14H15N7O2/c1-9-17-19-14(21(9)16)20-18-12(13(22)23-2)11(8-15)10-6-4-3-5-7-10/h3-7,11H,16H2,1-2H3,(H,19,20)/b18-12-"	CC1=NN=C(N1N)N/N=C(/C(C#N)C2=CC=CC=C2)\\C(=O)OC	HJKFDIZUKKRJIA-PDGQHHTCSA-N
DG64091	"3-(4-chlorophenyl)-4-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-1H-1,2,4-triazole-5-thione"	9570063	"NSC638050; CHEMBL1976926; NSC-638050; 3-(4-chlorophenyl)-4-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-1H-1,2,4-triazole-5-thione; 5-(4-Chlorophenyl)-4-(((5-(4-(hydroxy(oxido)amino)phenyl)-2-furyl)methylene)amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638050	.	.	.	.	425.8	C19H12ClN5O3S	131	684	4.8	29	1	6	4	"InChI=1S/C19H12ClN5O3S/c20-14-5-1-13(2-6-14)18-22-23-19(29)24(18)21-11-16-9-10-17(28-16)12-3-7-15(8-4-12)25(26)27/h1-11H,(H,23,29)/b21-11+"	C1=CC(=CC=C1C2=CC=C(O2)/C=N/N3C(=NNC3=S)C4=CC=C(C=C4)Cl)[N+](=O)[O-]	ABBCHJOXFDNERT-SRZZPIQSSA-N
DG64092	Gloxazone	9571200	"Contrapar; Gloxazon; GLOXAZONE; KTS, pharmaceutical; NSC82116; BW 356C61; KC 1331; WR 9838; (1-Ethoxyethyl)glyoxal bis(thiosemicarbazone); Kethoxal bis(thiosemicarbazone); .alpha.-Ethoxyethylglyoxal dithiosemicarbazone; 2507-91-7; 3-Ethoxy-2-oxobutyraldehyde bis(thiosemicarbazone); NSC-82116; KTS; B.W. 356-C-61; B. W. 356-C-61; U7726; U 7726; Butyraldehyde, 3-ethoxy-2-oxo-, bis(thiosemicarbazone); SCHEMBL782251; Butyraldehyde, bis(thiosemicarbazone); WLN: SUYZMNUYY1&O2&1UNMYZUS; Butyraldehyde, bis(thiosemicarbazone, hemihydrate; 2-((Aminocarbothioyl)hydrazono)-3-ethoxybutanal thiosemicarbazone; Butyraldehyde, 3-ethoxy-2-oxo-, bis(thiosemicarbazone, hemihydrate; [(E)-[(2E)-2-(carbamothioylhydrazono)-3-ethoxy-butylidene]amino]thiourea; Hydrazinecarbothioamide,2'-[1-(1-ethoxyethyl)-1,2-ethanediylidene]bis-; Hydrazinecarbothioamide, 2, {2'-[1-(1-ethoxyethyl)-1,2-ethanediylidene]bis-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82116	.	.	.	.	276.4	C8H16N6OS2	174	330	-0.1	17	4	5	6	"InChI=1S/C8H16N6OS2/c1-3-15-5(2)6(12-14-8(10)17)4-11-13-7(9)16/h4-5H,3H2,1-2H3,(H3,9,13,16)(H3,10,14,17)/b11-4+,12-6+"	CCOC(C)/C(=N/NC(=S)N)/C=N/NC(=S)N	ARIFZLJIERKKEL-RYYWOMKVSA-N
DG64093	N'-(1-(2-Pyridinyl)ethylidene)-3-azabicyclo[3.2.2]nonane-3-carboselenohydrazide	9571210	"NSC323241; CHEMBL126609; 79514-43-5; CCG-35596; NSC-323241; {3-Azabicyclo[3.2.2]nonane-3-carboselenoic} acid, {[1-(2-pyridinyl)ethylidene]hydrazide}; 3-Azabicyclo[3.2.2]nonane-3-carboselenoic acid, [1-(2-pyridinyl)ethylidene]hydrazide; N'-(1-(2-Pyridinyl)ethylidene)-3-azabicyclo[3.2.2]nonane-3-carboselenohydrazide; N-[(E)-1-(2-pyridyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carboselenoamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	323241	.	.	.	.	348.3	C16H21N4Se	40.8	399	.	21	0	3	3	"InChI=1S/C16H21N4Se/c1-12(15-4-2-3-9-17-15)18-19-16(21)20-10-13-5-6-14(11-20)8-7-13/h2-4,9,13-14H,5-8,10-11H2,1H3/b18-12+,19-16-"	C/C(=N\\N=C(\\N1CC2CCC(C1)CC2)/[Se])/C3=CC=CC=N3	QZCGQJFNGZOSQK-UHIRCJBMSA-N
DG64094	4-(2-Pyridinyl)-N'-(1-(2-pyridinyl)ethylidene)-1-piperazinecarboselenohydrazide	9571212	"4-(2-Pyridinyl)-N'-(1-(2-pyridinyl)ethylidene)-1-piperazinecarboselenohydrazide; 79514-41-3; NSC328784; NSC 328784; CHEMBL1965352; (E)-4-(Pyridin-2-yl)-N'-(1-(pyridin-2-yl)ethylidene)piperazine-1-carboselenohydrazide; 1-Piperazinecarboselenoic acid, 4-(2-pyridinyl)-, (1-(2-pyridinyl)ethylidene)hydrazide; 1-Piperazinecarboselenoic acid, 4-(2-pyridinyl)-, {[1-(2-pyridinyl)ethylidene]hydrazide}; 4-(2-Pyridinyl)-N'-[(E)-1-(2-pyridinyl)ethylidene]-1-piperazinecarboselenohydrazide #; 4-(2-pyridyl)-N-[(E)-1-(2-pyridyl)ethylideneamino]piperazine-1-carboselenoamide; 4-[[2-Pyridyl]piperazine]-1-selenocarboxylic acid 2-[1-[2-pyridyl]ethylidene]hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328784	.	.	.	.	386.3	C17H19N6Se	57	458	.	24	0	5	4	"InChI=1S/C17H19N6Se/c1-14(15-6-2-4-8-18-15)20-21-17(24)23-12-10-22(11-13-23)16-7-3-5-9-19-16/h2-9H,10-13H2,1H3/b20-14+,21-17-"	C/C(=N\\N=C(\\N1CCN(CC1)C2=CC=CC=N2)/[Se])/C3=CC=CC=N3	XHOWLJGNFHYYAE-RRIKXJNJSA-N
DG64095	NSC630456	9571253	"N-[(Z)-[benzylsulfanyl-[[(Z)-C-benzylsulfanyl-N-[(Z)-1-(2-pyridyl)ethylideneamino]carbonimidoyl]sulfanyl-dimethyl-stannyl]sulfanyl-methylene]amino]-1-(2-pyridyl)ethanimine; NSC630456; 6,6-Dimethyl-1,11-diphenyl-5,7-bis(1-(2-pyridinyl)ethylidene)-2,10-dithia-4,5.lambda.~5~,7.lambda.~5~,8-tetraaza-6-stannaundeca-3,8-diene-3,9-dithiol; N-[(Z)-[benzylsulfanyl-[[(Z)-C-benzylsulfanyl-N-[(Z)-1-(2-pyridyl)ethylideneamino]carbonimidoyl]sulfanyl-dimethyl-stannyl]sulfanyl-methylene]amino]-1-(2-pyridyl)ethanimine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630456	.	.	.	.	749.6	C32H34N6S4Sn	176	886	.	43	0	10	14	"InChI=1S/2C15H15N3S2.2CH3.Sn/c2*1-12(14-9-5-6-10-16-14)17-18-15(19)20-11-13-7-3-2-4-8-13;;;/h2*2-10H,11H2,1H3,(H,18,19);2*1H3;/q;;;;+2/p-2/b2*17-12-;;;"	C/C(=N/N=C(\\S[Sn](S/C(=N\\N=C(/C1=CC=CC=N1)\\C)/SCC2=CC=CC=C2)(C)C)/SCC3=CC=CC=C3)/C4=CC=CC=N4	XWANMTWJIIWBRA-WBDBHDCFSA-L
DG64096	NSC630457	9571254	"N-[(Z)-[benzylsulfanyl-[[(Z)-C-benzylsulfanyl-N-[(Z)-1-(2-pyridyl)ethylideneamino]carbonimidoyl]sulfanyl-dibutyl-stannyl]sulfanyl-methylene]amino]-1-(2-pyridyl)ethanimine; NSC630457; 1,11-Diphenyl-5,7-bis(1-(2-pyridinyl)ethylidene)-2,10-dithia-4,5.lambda.~5~,7.lambda.~5~,8-tetraaza-6.lambda.~2~-stannaundeca-3,8-diene-3,9-dithiol compound with butane (1:2); N-[(Z)-[benzylsulfanyl-[[(Z)-C-benzylsulfanyl-N-[(Z)-1-(2-pyridyl)ethylideneamino]carbonimidoyl]sulfanyl-dibutyl-stannyl]sulfanyl-methylene]amino]-1-(2-pyridyl)ethanimine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630457	.	.	.	.	833.8	C38H46N6S4Sn	176	975	.	49	0	10	20	"InChI=1S/2C15H15N3S2.2C4H9.Sn/c2*1-12(14-9-5-6-10-16-14)17-18-15(19)20-11-13-7-3-2-4-8-13;2*1-3-4-2;/h2*2-10H,11H2,1H3,(H,18,19);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*17-12-;;;"	CCCC[Sn](S/C(=N\\N=C(/C1=CC=CC=N1)\\C)/SCC2=CC=CC=C2)(S/C(=N\\N=C(/C3=CC=CC=N3)\\C)/SCC4=CC=CC=C4)CCCC	SWTSHSQXWSZFSU-WBDBHDCFSA-L
DG64097	NSC630459	9571256	"1-benzylsulfanyl-1-[[(Z)-C-benzylsulfanyl-N-[(Z)-2-furylmethyleneamino]carbonimidoyl]sulfanyl-dibutyl-stannyl]sulfanyl-N-[(Z)-2-furylmethyleneamino]methanimine; NSC630459; 1-benzylsulfanyl-1-[[(Z)-C-benzylsulfanyl-N-[(Z)-2-furylmethyleneamino]carbonimidoyl]sulfanyl-dibutyl-stannyl]sulfanyl-N-[(Z)-2-furylmethyleneamino]methanimine; 5,7-Bis(2-furylmethylene)-1,11-diphenyl-2,10-dithia-4,5.lambda.~5~,7.lambda.~5~,8-tetraaza-6.lambda.~2~-stannaundeca-3,8-diene-3,9-dithiol compound with butane (1:2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630459	.	.	.	.	783.7	C34H40N4O2S4Sn	177	867	.	45	0	10	20	"InChI=1S/2C13H12N2OS2.2C4H9.Sn/c2*17-13(15-14-9-12-7-4-8-16-12)18-10-11-5-2-1-3-6-11;2*1-3-4-2;/h2*1-9H,10H2,(H,15,17);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*14-9-;;;"	CCCC[Sn](S/C(=N\\N=C/C1=CC=CO1)/SCC2=CC=CC=C2)(S/C(=N\\N=C/C3=CC=CO3)/SCC4=CC=CC=C4)CCCC	OXEGFBBZHYKFKG-FCLRIJKTSA-L
DG64098	"N-[(E)-2-(1,3-dioxoisoindolin-2-yl)ethylideneamino]-3-nitro-benzenesulfonamide"	9571275	"NSC637083; CHEMBL1989166; NSC-637083; N-[(E)-2-(1,3-dioxoisoindolin-2-yl)ethylideneamino]-3-nitro-benzenesulfonamide; N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-3-(hydroxy(oxido)amino)benzenesulfonohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637083	.	.	.	.	388.4	C16H12N4O6S	150	717	1.4	27	1	8	5	"InChI=1S/C16H12N4O6S/c21-15-13-6-1-2-7-14(13)16(22)19(15)9-8-17-18-27(25,26)12-5-3-4-11(10-12)20(23)24/h1-8,10,18H,9H2/b17-8+"	C1=CC=C2C(=C1)C(=O)N(C2=O)C/C=N/NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]	VJXKWLDYCVSMFJ-CAOOACKPSA-N
DG64099	"(2Z)-N-(3,4-dichlorophenyl)-4-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-2-(methylhydrazono)-4-oxo-butanamide"	9571292	"NSC641431; CHEMBL1970150; ZINC104291026; NSC-641431; (2Z)-N-(3,4-dichlorophenyl)-4-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-2-(methylhydrazono)-4-oxo-butanamide; N-(3,4-Dichlorophenyl)-4-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-2-(methylhydrazono)-4-oxobutanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641431	.	.	.	.	603.5	C30H24Cl2N6O2S	130	931	8.3	41	2	7	9	"InChI=1S/C30H24Cl2N6O2S/c1-18-28(27(39)17-25(36-33-2)29(40)35-21-13-14-22(31)23(32)15-21)41-30(34-18)38-26(20-11-7-4-8-12-20)16-24(37-38)19-9-5-3-6-10-19/h3-16,33H,17H2,1-2H3,(H,35,40)/b36-25-"	CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C/C(=N/NC)/C(=O)NC5=CC(=C(C=C5)Cl)Cl	HZALSSOMBXGOSR-LAKKEJQSSA-N
DG64100	"Methyl 4-(2,5-dichloroanilino)-3-hydrazono-2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-4-oxobutanoate"	9571294	"NSC641435; CHEMBL1964363; NSC-641435; methyl (3Z)-4-(2,5-dichloroanilino)-3-hydrazinylidene-2-(3-hydroxy-6-nitro-quinoxalin-2-yl)-4-oxo-butanoate; Methyl 4-(2,5-dichloroanilino)-3-hydrazono-2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-4-oxobutanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641435	.	.	.	.	493.3	C19H14Cl2N6O6	181	877	3.3	33	3	9	6	"InChI=1S/C19H14Cl2N6O6/c1-33-19(30)14(16(26-22)18(29)24-12-6-8(20)2-4-10(12)21)15-17(28)25-13-7-9(27(31)32)3-5-11(13)23-15/h2-7,14H,22H2,1H3,(H,24,29)(H,25,28)/b26-16-"	COC(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)/C(=N/N)/C(=O)NC3=C(C=CC(=C3)Cl)Cl	VRDYVBUXWBMQOP-QQXSKIMKSA-N
DG64101	"Methyl 5-(2-(aminocarbonyl)anilino)-4-hydrazono-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2,5-dioxopentanoate"	9571296	"NSC641445; CHEMBL1969378; NSC-641445; methyl (4Z)-5-(2-carbamoylanilino)-4-hydrazinylidene-3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2,5-dioxo-pentanoate; Methyl 5-(2-(aminocarbonyl)anilino)-4-hydrazono-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2,5-dioxopentanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641445	.	.	.	.	495.4	C21H17N7O8	241	1020	1.3	36	4	11	8	"InChI=1S/C21H17N7O8/c1-36-21(33)17(29)14(15-19(31)26-13-8-9(28(34)35)6-7-12(13)24-15)16(27-23)20(32)25-11-5-3-2-4-10(11)18(22)30/h2-8,14H,23H2,1H3,(H2,22,30)(H,25,32)(H,26,31)/b27-16-"	COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)/C(=N/N)/C(=O)NC3=CC=CC=C3C(=O)N	MNQWXMRVTCNVEM-YUMHPJSZSA-N
DG64102	"Dibutyl-bis(4,5-dihydrothiazol-2-ylsulfanyl)stannane"	9571331	"NSC643864; ZINC195906758; NSC-643864; NCI60_014898; dibutyl-bis(4,5-dihydrothiazol-2-ylsulfanyl)stannane; 2-((Dibutyl(4,5-dihydro-1,3-thiazol-2-ylthio)stannyl)thio)-4,5-dihydro-1,3-thiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643864	.	.	.	.	469.3	C14H26N2S4Sn	126	351	.	21	0	6	10	"InChI=1S/2C4H9.2C3H5NS2.Sn/c2*1-3-4-2;2*5-3-4-1-2-6-3;/h2*1,3-4H2,2H3;2*1-2H2,(H,4,5);/q;;;;+2/p-2"	CCCC[Sn](CCCC)(SC1=NCCS1)SC2=NCCS2	NEZLJOHJOMWGEY-UHFFFAOYSA-L
DG64103	(2Z)-2-(tert-butylhydrazono)-N-(4-chloro-2-methyl-phenyl)-3-cyano-3-[4-(4-nitrophenyl)thiazol-2-yl]propanamide	9571345	"NSC646801; CHEMBL1988069; NSC-646801; (2Z)-2-(tert-butylhydrazono)-N-(4-chloro-2-methyl-phenyl)-3-cyano-3-[4-(4-nitrophenyl)thiazol-2-yl]propanamide; 2-(tert-Butylhydrazono)-N-(4-chloro-2-methylphenyl)-3-cyano-3-(4-(4-(hydroxy(oxido)amino)phenyl)-1,3-thiazol-2-yl)propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646801	.	.	.	.	511	C24H23ClN6O3S	164	842	6.2	35	2	8	7	"InChI=1S/C24H23ClN6O3S/c1-14-11-16(25)7-10-19(14)27-22(32)21(29-30-24(2,3)4)18(12-26)23-28-20(13-35-23)15-5-8-17(9-6-15)31(33)34/h5-11,13,18,30H,1-4H3,(H,27,32)/b29-21-"	CC1=C(C=CC(=C1)Cl)NC(=O)/C(=N\\NC(C)(C)C)/C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]	BAANCNSHMRIDJD-ANYBSYGZSA-N
DG64104	"N-[(E)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]ethylideneamino]-2,4-dinitro-aniline"	9571359	"NSC648587; CHEMBL2007110; ZINC104296998; NSC-648587; 1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)ethanone (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone; N-[(E)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]ethylideneamino]-2,4-dinitro-aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648587	.	.	.	.	539.6	C27H21N7O4S	175	886	7.4	39	1	9	6	"InChI=1S/C27H21N7O4S/c1-17-26(18(2)29-30-22-14-13-21(33(35)36)15-25(22)34(37)38)39-27(28-17)32-24(20-11-7-4-8-12-20)16-23(31-32)19-9-5-3-6-10-19/h3-16,30H,1-2H3/b29-18+"	CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)/C(=N/NC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])/C	DTRCKSZJHHNCMQ-RDRPBHBLSA-N
DG64105	Dimethyl 2-((hydrazinocarbothioyl)hydrazono)-3-(oxo(3-(trifluoromethyl)anilino)acetyl)succinate	9571361	NSC648617; CHEMBL1983401; NSC-648617; dimethyl (2Z)-2-(aminocarbamothioylhydrazono)-3-[2-oxo-2-[3-(trifluoromethyl)anilino]acetyl]butanedioate; Dimethyl 2-((hydrazinocarbothioyl)hydrazono)-3-(oxo(3-(trifluoromethyl)anilino)acetyl)succinate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648617	.	.	.	.	463.4	C16H16F3N5O6S	193	761	1.9	31	4	12	9	"InChI=1S/C16H16F3N5O6S/c1-29-13(27)9(10(14(28)30-2)23-24-15(31)22-20)11(25)12(26)21-8-5-3-4-7(6-8)16(17,18)19/h3-6,9H,20H2,1-2H3,(H,21,26)(H2,22,24,31)/b23-10-"	COC(=O)C(/C(=N/NC(=S)NN)/C(=O)OC)C(=O)C(=O)NC1=CC=CC(=C1)C(F)(F)F	CKXCWLMEONDJCR-RMORIDSASA-N
DG64106	"Methyl 2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3-hydrazono-4-oxo-4-(2,4,5-trichloroanilino)butanoate"	9571367	"NSC648656; CHEMBL1973912; NSC-648656; methyl (3Z)-2-(6-chloro-3-hydroxy-quinoxalin-2-yl)-3-hydrazinylidene-4-oxo-4-(2,4,5-trichloroanilino)butanoate; Methyl 2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3-hydrazono-4-oxo-4-(2,4,5-trichloroanilino)butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648656	.	.	.	.	517.1	C19H13Cl4N5O4	135	826	4.7	32	3	7	6	"InChI=1S/C19H13Cl4N5O4/c1-32-19(31)14(15-17(29)27-13-4-7(20)2-3-11(13)25-15)16(28-24)18(30)26-12-6-9(22)8(21)5-10(12)23/h2-6,14H,24H2,1H3,(H,26,30)(H,27,29)/b28-16-"	COC(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)/C(=N/N)/C(=O)NC3=CC(=C(C=C3Cl)Cl)Cl	HBHZLDRKDHJHNJ-NTFVMDSBSA-N
DG64107	"N-Benzylidene-2-tert-butyl-3,3-dimethyl-1-butene-1-sulfinamide"	9571369	"NSC649100; CHEMBL1990944; NSC-649100; N-Benzylidene-2-tert-butyl-3,3-dimethyl-1-butene-1-sulfinamide; (NE)-N-benzylidene-2-tert-butyl-3,3-dimethyl-but-1-ene-1-sulfinamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649100	.	.	.	.	291.5	C17H25NOS	48.6	374	5.2	20	0	3	5	"InChI=1S/C17H25NOS/c1-16(2,3)15(17(4,5)6)13-20(19)18-12-14-10-8-7-9-11-14/h7-13H,1-6H3/b18-12+"	CC(C)(C)C(=CS(=O)/N=C/C1=CC=CC=C1)C(C)(C)C	IFJIHDZDVFQSKL-LDADJPATSA-N
DG64108	"(2E)-2-(tert-butylhydrazono)-N-(3-chloro-1,4-dioxo-2-naphthyl)-2-(1,1-dioxo-2,5-dihydrothiophen-2-yl)acetamide"	9571372	"NSC649576; CHEMBL1976405; NSC-649576; (2E)-2-(tert-butylhydrazono)-N-(3-chloro-1,4-dioxo-2-naphthyl)-2-(1,1-dioxo-2,5-dihydrothiophen-2-yl)acetamide; 2-(tert-Butylhydrazono)-N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-(1,1-dioxido-2,5-dihydro-2-thienyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649576	.	.	.	.	449.9	C20H20ClN3O5S	130	969	3.5	30	2	7	5	"InChI=1S/C20H20ClN3O5S/c1-20(2,3)24-23-15(13-9-6-10-30(13,28)29)19(27)22-16-14(21)17(25)11-7-4-5-8-12(11)18(16)26/h4-9,13,24H,10H2,1-3H3,(H,22,27)/b23-15-"	CC(C)(C)N/N=C(/C1C=CCS1(=O)=O)\\C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl	JRLARNMLECNTMH-HAHDFKILSA-N
DG64109	"1(4H)-Naphthalenone, 2-((3,4-dimethyl-5-isoxazolyl)amino)-4-((3,4-dimethyl-5-isoxazolyl)imino)-"	9571373	"NSC649748; 1(4H)-Naphthalenone, 2-((3,4-dimethyl-5-isoxazolyl)amino)-4-((3,4-dimethyl-5-isoxazolyl)imino)-; 81620-99-7; (4E)-2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-4-[(3,4-dimethyl-1,2-oxazol-5-yl)imino]naphthalen-1-one; 2-Didin; CHEMBL2001693; NSC-649748; (4E)-2-[(3,4-dimethylisoxazol-5-yl)amino]-4-(3,4-dimethylisoxazol-5-yl)imino-naphthalen-1-one; 2-((3,4-Dimethyl-5-isoxazolyl)amino)-4-((3,4-dimethyl-5-isoxazolyl)imino)-1(4H)-naphthalenone; 2-(3,4-Dimethyl-5-isoxazolylamine)-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone-4-imine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649748	.	.	.	.	362.4	C20H18N4O3	93.5	649	4.1	27	1	7	3	"InChI=1S/C20H18N4O3/c1-10-12(3)23-26-19(10)21-16-9-17(22-20-11(2)13(4)24-27-20)18(25)15-8-6-5-7-14(15)16/h5-9,22H,1-4H3/b21-16+"	CC1=C(ON=C1C)NC2=C/C(=N\\C3=C(C(=NO3)C)C)/C4=CC=CC=C4C2=O	YOVXBSRIHBCXAV-LTGZKZEYSA-N
DG64110	N-(4-Chloro-3-iodophenyl)-2-(hydroxyimino)acetamide	9571384	NSC651038; CHEMBL1985927; NSC-651038; N-(4-Chloro-3-iodophenyl)-2-(hydroxyimino)acetamide; (2E)-N-(4-chloro-3-iodo-phenyl)-2-hydroxyimino-acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651038	.	.	.	.	324.5	C8H6ClIN2O2	61.7	237	3.1	14	2	3	2	"InChI=1S/C8H6ClIN2O2/c9-6-2-1-5(3-7(6)10)12-8(13)4-11-14/h1-4,14H,(H,12,13)/b11-4+"	C1=CC(=C(C=C1NC(=O)/C=N/O)I)Cl	PWQNPEVJGCXARI-NYYWCZLTSA-N
DG64111	"3,5-Dibromo-N'-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)-2-hydroxybenzohydrazide"	9571390	"NSC651704; 101868-30-8; 3,5-Dibromo-N'-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)-2-hydroxybenzohydrazide; NSC 651704; CHEMBL1969143; AKOS025395210; NSC-651704; Salicylic acid,5-dibromo-,(antipyrinylmethylene)hydrazide; 3,5-dibromo-N-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]-2-hydroxy-benzamide; Benzoic acid,5-dibromo-2-hydroxy-, [(2,5-dihydro-2,3-dimethyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)methylene]hydrazide; Salicylic acid,5-dibromo-, [(2,5-dihydro-2,3-dimethyl-5-oxo-1-phenyl-1H-pyrazol-4-yl) methylene]hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651704	.	.	.	.	508.2	C19H16Br2N4O3	85.2	678	4.7	28	2	5	4	"InChI=1S/C19H16Br2N4O3/c1-11-15(19(28)25(24(11)2)13-6-4-3-5-7-13)10-22-23-18(27)14-8-12(20)9-16(21)17(14)26/h3-10,26H,1-2H3,(H,23,27)/b22-10+"	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=N/NC(=O)C3=C(C(=CC(=C3)Br)Br)O	MCHSUKWGSALGLY-LSHDLFTRSA-N
DG64112	"5-(2-(Benzoyloxy)ethylidene)-2-(benzoyl(phenyl)hydrazono)-2,5-dihydro-3-furanyl benzoate"	9571391	"NSC651782; [(2Z)-2-[(5Z)-4-benzoyloxy-5-[benzoyl(phenyl)hydrazono]-2-furylidene]ethyl] benzoate; 5-(2-(Benzoyloxy)ethylidene)-2-(benzoyl(phenyl)hydrazono)-2,5-dihydro-3-furanyl benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651782	.	.	.	.	544.6	C33H24N2O6	94.5	1010	6.9	41	0	7	10	"InChI=1S/C33H24N2O6/c36-31(24-13-5-1-6-14-24)35(27-19-11-4-12-20-27)34-30-29(41-33(38)26-17-9-3-10-18-26)23-28(40-30)21-22-39-32(37)25-15-7-2-8-16-25/h1-21,23H,22H2/b28-21-,34-30-"	C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)/N=C\\3/C(=C/C(=C/COC(=O)C4=CC=CC=C4)/O3)OC(=O)C5=CC=CC=C5	NJJPNPFXKXYMPU-LNICGBIXSA-N
DG64113	"4-Amino-N'-benzylidene-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide"	9571392	"NSC652024; CHEMBL1991803; ZINC31851273; NSC-652024; 4-Amino-N'-benzylidene-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide; 4-amino-N-[(E)-benzylideneamino]-3-phenyl-2-thioxo-thiazole-5-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652024	.	.	.	.	354.5	C17H14N4OS2	128	549	3.8	24	2	5	4	"InChI=1S/C17H14N4OS2/c18-15-14(16(22)20-19-11-12-7-3-1-4-8-12)24-17(23)21(15)13-9-5-2-6-10-13/h1-11H,18H2,(H,20,22)/b19-11+"	C1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N	RYVNVHBCCXWZPT-YBFXNURJSA-N
DG64114	"4-Amino-N'-(4-methoxybenzylidene)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide"	9571393	"NSC652025; CHEMBL1999903; CCG-44526; NSC-652025; 4-Amino-N'-(4-methoxybenzylidene)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide; SR-01000634355-1; 4-amino-N-[(E)-(4-methoxyphenyl)methyleneamino]-3-phenyl-2-thioxo-thiazole-5-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652025	.	.	.	.	384.5	C18H16N4O2S2	137	594	3.8	26	2	6	5	"InChI=1S/C18H16N4O2S2/c1-24-14-9-7-12(8-10-14)11-20-21-17(23)15-16(19)22(18(25)26-15)13-5-3-2-4-6-13/h2-11H,19H2,1H3,(H,21,23)/b20-11+"	COC1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N	BAXOWMDQYOVWPU-RGVLZGJSSA-N
DG64115	"4-Amino-N'-(4-chlorobenzylidene)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide"	9571394	"NSC652026; CHEMBL2000690; CCG-237959; NSC-652026; 4-Amino-N'-(4-chlorobenzylidene)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide; 4-amino-N-[(E)-(4-chlorophenyl)methyleneamino]-3-phenyl-2-thioxo-thiazole-5-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652026	.	.	.	.	388.9	C17H13ClN4OS2	128	581	4.4	25	2	5	4	"InChI=1S/C17H13ClN4OS2/c18-12-8-6-11(7-9-12)10-20-21-16(23)14-15(19)22(17(24)25-14)13-4-2-1-3-5-13/h1-10H,19H2,(H,21,23)/b20-10+"	C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N/N=C/C3=CC=C(C=C3)Cl)N	VFJOXPGYHJYBEL-KEBDBYFISA-N
DG64116	"6-[(E)-(4-methoxyphenyl)methyleneamino]-3-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one"	9571399	"NSC652031; MLS001181840; CHEMBL1991920; CCG-237848; NSC-652031; SMR000567610; 6-[(E)-(4-methoxyphenyl)methyleneamino]-3-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one; 6-((4-Methoxybenzylidene)amino)-3-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652031	.	.	.	.	394.5	C19H14N4O2S2	115	692	3.6	27	0	6	4	"InChI=1S/C19H14N4O2S2/c1-25-15-9-7-13(8-10-15)11-21-22-12-20-17-16(18(22)24)27-19(26)23(17)14-5-3-2-4-6-14/h2-12H,1H3/b21-11+"	COC1=CC=C(C=C1)/C=N/N2C=NC3=C(C2=O)SC(=S)N3C4=CC=CC=C4	DPMGIKOJHXBZMW-SRZZPIQSSA-N
DG64117	4-chloro-N-methyl-2-nitro-N-[(E)-4-quinolylmethyleneamino]aniline	9571424	NSC659332; CHEMBL1990879; NSC-659332; 4-chloro-N-methyl-2-nitro-N-[(E)-4-quinolylmethyleneamino]aniline; N-(4-Chloro-2-nitrophenyl)-N-methyl-N'-(quinolin-4-ylmethylene)hydrazine; 4-Quinolinecarbaldehyde (4-chloro-2-(hydroxy(oxido)amino)phenyl)(methyl)hydrazone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659332	.	.	.	.	340.8	C17H13ClN4O2	74.3	470	4.4	24	0	5	3	"InChI=1S/C17H13ClN4O2/c1-21(16-7-6-13(18)10-17(16)22(23)24)20-11-12-8-9-19-15-5-3-2-4-14(12)15/h2-11H,1H3/b20-11+"	CN(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])/N=C/C2=CC=NC3=CC=CC=C23	JPLZHBVRIVEUKV-RGVLZGJSSA-N
DG64118	"2-[(2E)-2-(dimethylhydrazono)-4,6,6-trimethyl-cyclohex-3-en-1-yl]-1,1,1,3,3,3-hexafluoro-propan-2-ol"	9571443	"NSC663997; CHEMBL1986772; NSC-663997; 2-[(2E)-2-(dimethylhydrazono)-4,6,6-trimethyl-cyclohex-3-en-1-yl]-1,1,1,3,3,3-hexafluoro-propan-2-ol; 3,5,5-Trimethyl-6-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)-2-cyclohexen-1-one dimethylhydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663997	.	.	.	.	346.31	C14H20F6N2O	35.8	502	3.8	23	1	9	2	"InChI=1S/C14H20F6N2O/c1-8-6-9(21-22(4)5)10(11(2,3)7-8)12(23,13(15,16)17)14(18,19)20/h6,10,23H,7H2,1-5H3/b21-9+"	CC1=C/C(=N\\N(C)C)/C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O	MGDUYPZRGRNIPL-ZVBGSRNCSA-N
DG64119	2-[(2E)-2-[(4-nitrophenyl)methylene]hydrazino]-3-phenyl-quinazolin-4-one	9571453	"NSC666355; CHEMBL2004343; NSC-666355; 2-[(2E)-2-[(4-nitrophenyl)methylene]hydrazino]-3-phenyl-quinazolin-4-one; 4-(Hydroxy(oxido)amino)benzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666355	.	.	.	.	385.4	C21H15N5O3	103	660	3.7	29	1	5	4	"InChI=1S/C21H15N5O3/c27-20-18-8-4-5-9-19(18)23-21(25(20)16-6-2-1-3-7-16)24-22-14-15-10-12-17(13-11-15)26(28)29/h1-14H,(H,23,24)/b22-14+"	C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2N/N=C/C4=CC=C(C=C4)[N+](=O)[O-]	GSYLIBKONXYFGQ-HYARGMPZSA-N
DG64120	"4-Methoxybenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone"	9571454	"NSC666356; CHEMBL1995423; AKOS003674150; NSC-666356; 4-Methoxybenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone; 2-[(2E)-2-[(4-methoxyphenyl)methylene]hydrazino]-3-phenyl-quinazolin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666356	.	.	.	.	370.4	C22H18N4O2	66.3	591	3.9	28	1	4	5	"InChI=1S/C22H18N4O2/c1-28-18-13-11-16(12-14-18)15-23-25-22-24-20-10-6-5-9-19(20)21(27)26(22)17-7-3-2-4-8-17/h2-15H,1H3,(H,24,25)/b23-15+"	COC1=CC=C(C=C1)/C=N/NC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4	BUUNURYMLXPEPA-HZHRSRAPSA-N
DG64121	"4-Chlorobenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone"	9571455	"NSC666360; CHEMBL1967636; NSC-666360; 2-[(2E)-2-[(4-chlorophenyl)methylene]hydrazino]-3-phenyl-quinazolin-4-one; 4-Chlorobenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone; 4-chlorobenzaldehyde (4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)hydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666360	.	.	.	.	374.8	C21H15ClN4O	57.1	579	4.5	27	1	3	4	"InChI=1S/C21H15ClN4O/c22-16-12-10-15(11-13-16)14-23-25-21-24-19-9-5-4-8-18(19)20(27)26(21)17-6-2-1-3-7-17/h1-14H,(H,24,25)/b23-14+"	C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2N/N=C/C4=CC=C(C=C4)Cl	NIGOYNDAWKIPBD-OEAKJJBVSA-N
DG64122	"4-(Dimethylamino)benzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone"	9571456	"NSC666362; CHEMBL1971499; AKOS001590068; NSC-666362; 2-[(2E)-2-[(4-dimethylaminophenyl)methylene]hydrazino]-3-phenyl-quinazolin-4-one; 4-(Dimethylamino)benzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone; 4-(dimethylamino)benzaldehyde 1-(4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666362	.	.	.	.	383.4	C23H21N5O	60.3	617	4	29	1	4	5	"InChI=1S/C23H21N5O/c1-27(2)18-14-12-17(13-15-18)16-24-26-23-25-21-11-7-6-10-20(21)22(29)28(23)19-8-4-3-5-9-19/h3-16H,1-2H3,(H,25,26)/b24-16+"	CN(C)C1=CC=C(C=C1)/C=N/NC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4	ABJMLCCVOGYIJW-LFVJCYFKSA-N
DG64123	4-methyl-N-[(E)-(9-phenylfluoren-9-yl)methyleneamino]benzenesulfonamide	9571458	NSC666398; CHEMBL1998722; ZINC17251066; NSC-666398; 4-Methyl-N'-((9-phenyl-9H-fluoren-9-yl)methylene)benzenesulfonohydrazide; 4-methyl-N-[(E)-(9-phenylfluoren-9-yl)methyleneamino]benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666398	.	.	.	.	438.5	C27H22N2O2S	66.9	737	5.7	32	1	4	5	"InChI=1S/C27H22N2O2S/c1-20-15-17-22(18-16-20)32(30,31)29-28-19-27(21-9-3-2-4-10-21)25-13-7-5-11-23(25)24-12-6-8-14-26(24)27/h2-19,29H,1H3/b28-19+"	CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5	IQWDOFYXFDSDPM-TURZUDJPSA-N
DG64124	"4-methyl-N-[(E)-4-tricyclo[4.3.0.03,7]nonanylideneamino]benzenesulfonamide"	9571460	"NSC666425; CHEMBL1976102; NSC-666425; Benzenesulfonic acid, 4-methyl-, [(2E)-hexahydro-1,4-methanopentalen-2(1H)-ylidene]hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666425	.	.	.	.	304.4	C16H20N2O2S	66.9	543	3	21	1	4	3	"InChI=1S/C16H20N2O2S/c1-10-2-5-12(6-3-10)21(19,20)18-17-16-9-14-11-4-7-13(14)15(16)8-11/h2-3,5-6,11,13-15,18H,4,7-9H2,1H3/b17-16+"	CC1=CC=C(C=C1)S(=O)(=O)N/N=C/2\\CC3C4CCC3C2C4	WOLMIBMBHRRSSH-WUKNDPDISA-N
DG64125	[(Z)-[2-[2-(2-hydroxy-1-oxo-tetralin-2-yl)ethyl]tetralin-1-ylidene]amino]thiourea	9571467	"NSC667064; CHEMBL1986751; NSC-667064; [(Z)-[2-[2-(2-hydroxy-1-oxo-tetralin-2-yl)ethyl]tetralin-1-ylidene]amino]thiourea; Hydrazinecarbothioamide, 2-[3,4-dihydro-2-[2-(1,2,3,4-tetrahydro-2-hydroxy-1-oxo-2-naphthalenyl)ethyl]-1(2H)-naphthalenylidene]-, (2Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667064	.	.	.	.	407.5	C23H25N3O2S	120	667	3.7	29	3	4	4	"InChI=1S/C23H25N3O2S/c24-22(29)26-25-20-17(10-9-15-5-1-3-7-18(15)20)12-14-23(28)13-11-16-6-2-4-8-19(16)21(23)27/h1-8,17,28H,9-14H2,(H3,24,26,29)/b25-20-"	C1CC2=CC=CC=C2/C(=N\\NC(=S)N)/C1CCC3(CCC4=CC=CC=C4C3=O)O	HLNWYZBGDBIXCE-QQTULTPQSA-N
DG64126	1-(2-methoxyphenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea	9571481	NSC670962; CHEMBL2006781; NSC-670962; 6-Methyl-2-pyridinecarbaldehyde N-(2-methoxyphenyl)thiosemicarbazone; 1-(2-methoxyphenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670962	.	.	.	.	300.4	C15H16N4OS	90.6	364	2.8	21	2	4	4	"InChI=1S/C15H16N4OS/c1-11-6-5-7-12(17-11)10-16-19-15(21)18-13-8-3-4-9-14(13)20-2/h3-10H,1-2H3,(H2,18,19,21)/b16-10+"	CC1=NC(=CC=C1)/C=N/NC(=S)NC2=CC=CC=C2OC	NPLDVFDLXXEHQN-MHWRWJLKSA-N
DG64127	1-(4-methoxyphenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea	9571482	NSC670963; CHEMBL1996879; NSC-670963; 6-Methyl-2-pyridinecarbaldehyde N-(4-methoxyphenyl)thiosemicarbazone; 1-(4-methoxyphenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670963	.	.	.	.	300.4	C15H16N4OS	90.6	356	2.8	21	2	4	4	"InChI=1S/C15H16N4OS/c1-11-4-3-5-13(17-11)10-16-19-15(21)18-12-6-8-14(20-2)9-7-12/h3-10H,1-2H3,(H2,18,19,21)/b16-10+"	CC1=NC(=CC=C1)/C=N/NC(=S)NC2=CC=C(C=C2)OC	JTROJADUGZRALX-MHWRWJLKSA-N
DG64128	1-(4-chlorophenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea	9571483	NSC670964; CHEMBL1982818; NSC-670964; 6-Methyl-2-pyridinecarbaldehyde N-(4-chlorophenyl)thiosemicarbazone; 1-(4-chlorophenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670964	.	.	.	.	304.8	C14H13ClN4S	81.4	342	3.5	20	2	3	3	"InChI=1S/C14H13ClN4S/c1-10-3-2-4-13(17-10)9-16-19-14(20)18-12-7-5-11(15)6-8-12/h2-9H,1H3,(H2,18,19,20)/b16-9+"	CC1=NC(=CC=C1)/C=N/NC(=S)NC2=CC=C(C=C2)Cl	KLBCCHSJGGXGIS-CXUHLZMHSA-N
DG64129	1-(4-chlorophenyl)-3-[(E)-2-pyridylmethyleneamino]thiourea	9571484	NSC670965; CHEMBL1973715; NSC-670965; 2-Pyridinecarbaldehyde N-(4-chlorophenyl)thiosemicarbazone; 1-(4-chlorophenyl)-3-[(E)-2-pyridylmethyleneamino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670965	.	.	.	.	290.77	C13H11ClN4S	81.4	316	3.1	19	2	3	3	"InChI=1S/C13H11ClN4S/c14-10-4-6-11(7-5-10)17-13(19)18-16-9-12-3-1-2-8-15-12/h1-9H,(H2,17,18,19)/b16-9+"	C1=CC=NC(=C1)/C=N/NC(=S)NC2=CC=C(C=C2)Cl	GRYWNXFAJVPYFP-CXUHLZMHSA-N
DG64130	"2-hydroxy-6,6-dimethyl-4-[(E)-(p-tolylhydrazono)methyl]cyclohexa-2,4-diene-1,1,3-tricarbonitrile"	9571495	"NSC672219; CHEMBL2000883; NSC-672219; 2-Hydroxy-6,6-dimethyl-4-(2-(4-methylphenyl)carbohydrazonoyl)-2,4-cyclohexadiene-1,1,3-tricarbonitrile; 2-hydroxy-6,6-dimethyl-4-[(E)-(p-tolylhydrazono)methyl]cyclohexa-2,4-diene-1,1,3-tricarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672219	.	.	.	.	331.4	C19H17N5O	116	765	3.3	25	2	6	3	"InChI=1S/C19H17N5O/c1-13-4-6-15(7-5-13)24-23-10-14-8-18(2,3)19(11-21,12-22)17(25)16(14)9-20/h4-8,10,24-25H,1-3H3/b23-10+"	CC1=CC=C(C=C1)N/N=C/C2=CC(C(C(=C2C#N)O)(C#N)C#N)(C)C	NBQQVPILPPDYOB-AUEPDCJTSA-N
DG64131	"[(4E)-4-(3,4-dimethylisoxazol-5-yl)imino-1-oxo-2-naphthyl] 4-methylbenzenesulfonate"	9571500	"NSC673788; CHEMBL1975968; NSC-673788; [(4E)-4-(3,4-dimethylisoxazol-5-yl)imino-1-oxo-2-naphthyl] 4-methylbenzenesulfonate; 4-((3,4-Dimethyl-5-isoxazolyl)imino)-1-oxo-1,4-dihydro-2-naphthalenyl 4-methylbenzenesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673788	.	.	.	.	422.5	C22H18N2O5S	107	823	4.5	30	0	7	4	"InChI=1S/C22H18N2O5S/c1-13-8-10-16(11-9-13)30(26,27)29-20-12-19(23-22-14(2)15(3)24-28-22)17-6-4-5-7-18(17)21(20)25/h4-12H,1-3H3/b23-19+"	CC1=CC=C(C=C1)S(=O)(=O)OC2=C/C(=N\\C3=C(C(=NO3)C)C)/C4=CC=CC=C4C2=O	PTJQWEXIOZXVGQ-FCDQGJHFSA-N
DG64132	N'-(4-tert-Butyl-2-methylcyclohexylidene)-4-methylbenzenesulfonohydrazide	9571502	NSC673921; N'-(4-tert-Butyl-2-methylcyclohexylidene)-4-methylbenzenesulfonohydrazide; N-[(E)-(4-tert-butyl-2-methyl-cyclohexylidene)amino]-4-methyl-benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673921	.	.	.	.	336.5	C18H28N2O2S	66.9	520	4.4	23	1	4	4	"InChI=1S/C18H28N2O2S/c1-13-6-9-16(10-7-13)23(21,22)20-19-17-11-8-15(12-14(17)2)18(3,4)5/h6-7,9-10,14-15,20H,8,11-12H2,1-5H3/b19-17+"	CC\\1CC(CC/C1=N\\NS(=O)(=O)C2=CC=C(C=C2)C)C(C)(C)C	CTEFDTSRFYPZRD-HTXNQAPBSA-N
DG64133	"4-[(E)-(4-nitrophenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one"	9571512	"NSC675223; CHEMBL1965282; CCG-36388; ZINC31862305; NSC-675223; 4-[(E)-(4-nitrophenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one; 1H-1,4-Triazole-5(4H)-one, 4-[[(4-nitrophenyl)methylene] amino]-3-phenyl-; 4-((4-(Hydroxy(oxido)amino)benzylidene)amino)-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675223	.	.	.	.	309.28	C15H11N5O3	103	514	2.5	23	1	5	3	"InChI=1S/C15H11N5O3/c21-15-18-17-14(12-4-2-1-3-5-12)19(15)16-10-11-6-8-13(9-7-11)20(22)23/h1-10H,(H,18,21)/b16-10+"	C1=CC=C(C=C1)C2=NNC(=O)N2/N=C/C3=CC=C(C=C3)[N+](=O)[O-]	FXOUZPHNQHTBME-MHWRWJLKSA-N
DG64134	"2-Acetyl-2,4-cyclopentadien-1-one phenylhydrazone"	9571513	"NSC675371; CHEMBL1989151; NSC-675371; 2-Acetyl-2,4-cyclopentadien-1-one phenylhydrazone; 1-[(5E)-5-(phenylhydrazono)cyclopenta-1,3-dien-1-yl]ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675371	.	.	.	.	212.25	C13H12N2O	41.5	360	2.9	16	1	3	3	"InChI=1S/C13H12N2O/c1-10(16)12-8-5-9-13(12)15-14-11-6-3-2-4-7-11/h2-9,14H,1H3/b15-13+"	CC(=O)C\\1=CC=C/C1=N\\NC2=CC=CC=C2	KDBBHGQEKHITEO-FYWRMAATSA-N
DG64135	2-Amino-4-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-5-pyrimidinecarbaldehyde oxime	9571514	NSC676318; CHEMBL1991609; NSC-676318; (5E)-2-amino-4-[[1-(hydroxymethyl)-3-phenethyl-cyclobutyl]methylamino]pyrimidine-5-carbaldehyde oxime; 2-Amino-4-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-5-pyrimidinecarbaldehyde oxime	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676318	.	.	.	.	355.4	C19H25N5O2	117	449	3.1	26	4	7	8	"InChI=1S/C19H25N5O2/c20-18-21-10-16(11-23-26)17(24-18)22-12-19(13-25)8-15(9-19)7-6-14-4-2-1-3-5-14/h1-5,10-11,15,25-26H,6-9,12-13H2,(H3,20,21,22,24)/b23-11+"	C1C(CC1(CNC2=NC(=NC=C2/C=N/O)N)CO)CCC3=CC=CC=C3	KIVFUQCQDIUXCF-FOKLQQMPSA-N
DG64136	"2-Amino-4-chloro-6-((3-hydroxy-2,2-dimethylpropyl)amino)-5-pyrimidinecarbaldehyde oxime"	9571515	"NSC676324; CHEMBL1976292; NSC-676324; 2-Amino-4-chloro-6-((3-hydroxy-2,2-dimethylpropyl)amino)-5-pyrimidinecarbaldehyde oxime; (5E)-2-amino-4-chloro-6-[(3-hydroxy-2,2-dimethyl-propyl)amino]pyrimidine-5-carbaldehyde oxime"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676324	.	.	.	.	273.72	C10H16ClN5O2	117	289	1.9	18	4	7	5	"InChI=1S/C10H16ClN5O2/c1-10(2,5-17)4-13-8-6(3-14-18)7(11)15-9(12)16-8/h3,17-18H,4-5H2,1-2H3,(H3,12,13,15,16)/b14-3+"	CC(C)(CNC1=C(C(=NC(=N1)N)Cl)/C=N/O)CO	FBGUPTDFHQQDPB-LZWSPWQCSA-N
DG64137	"2-(2-Chlorophenyl)-4-phenyl-2,3-benzodiazocin-1(2H)-one"	9571516	"NSC676437; CHEMBL1984334; NSC-676437; 2-(2-Chlorophenyl)-4-phenyl-2,3-benzodiazocin-1(2H)-one; (3E,5Z)-2-(2-chlorophenyl)-4-phenyl-2,3-benzodiazocin-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676437	.	.	.	.	358.8	C22H15ClN2O	32.7	567	5.5	26	0	2	2	"InChI=1S/C22H15ClN2O/c23-19-12-6-7-13-21(19)25-22(26)18-11-5-4-8-16(18)14-15-20(24-25)17-9-2-1-3-10-17/h1-15H/b15-14-,24-20+"	C1=CC=C(C=C1)/C/2=N/N(C(=O)C3=CC=CC=C3/C=C2)C4=CC=CC=C4Cl	ZAROSUOTGVTDJF-DDDDRTNFSA-N
DG64138	"(NE)-N-acenaphthyleno[1,2-b]quinoxalin-7-ium-6b-id-7-ylidene-2-bromo-propanamide"	9571521	"NSC676859; (NE)-N-acenaphthyleno[1,2-b]quinoxalin-7-ium-6b-id-7-ylidene-2-bromo-propanamide; N-(6b,7-Dihydro-7.lambda.~5~-acenaphtho[1,2-b]quinoxalin-7-ylidene)-2-bromopropanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676859	.	.	.	.	404.3	C21H14BrN3O	52.2	570	6	26	0	3	2	"InChI=1S/C21H14BrN3O/c1-12(22)21(26)24-25-17-11-3-2-10-16(17)23-19-14-8-4-6-13-7-5-9-15(18(13)14)20(19)25/h2-12H,1H3"	CC(/C(=N/[N+]1=C2C3=CC=CC4=C3C(=CC=C4)C2=NC5=CC=CC=C51)/[O-])Br	FYOSFIBIQACHAD-UHFFFAOYSA-N
DG64139	"5-Amino-2-(2-furyl)-1-[(2-furylmethylene)amino]-1H-pyrrole-3,4-dicarbonitrile"	9571538	"NSC681776; CHEMBL1967981; ZINC1647970; NSC-681776; 2-amino-5-(2-furyl)-1-[(E)-2-furylmethyleneamino]pyrrole-3,4-dicarbonitrile; 2-Amino-5-(2-furyl)-1-{[(1E)-2-furylmethylene]amino}-1H-pyrrole-3,4-dicarbonitrile; 5-Amino-2-(2-furyl)-1-[(2-furylmethylene)amino]-1H-pyrrole-3,4-dicarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681776	.	.	.	.	291.26	C15H9N5O2	117	533	2.2	22	1	6	3	"InChI=1S/C15H9N5O2/c16-7-11-12(8-17)15(18)20(14(11)13-4-2-6-22-13)19-9-10-3-1-5-21-10/h1-6,9H,18H2/b19-9+"	C1=COC(=C1)/C=N/N2C(=C(C(=C2N)C#N)C#N)C3=CC=CO3	XNIVBTJMWLISEX-DJKKODMXSA-N
DG64140	"3-(Dimethylhydrazono)-5-phenyl-1,1,2,2-cyclopentanetetracarbonitrile"	9571539	"NSC681858; CHEMBL1981761; STL325606; AKOS022109646; NSC-681858; (3E)-3-(dimethylhydrazono)-5-phenyl-cyclopentane-1,1,2,2-tetracarbonitrile; 3-(Dimethylhydrazono)-5-phenyl-1,1,2,2-cyclopentanetetracarbonitrile; (3E)-3-(dimethylhydrazinylidene)-5-phenylcyclopentane-1,1,2,2-tetracarbonitrile; (E)-3-(2,2-dimethylhydrazono)-5-phenylcyclopentane-1,1,2,2-tetracarbonitrile; 213836-76-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681858	.	.	.	.	302.33	C17H14N6	111	671	1.4	23	0	6	2	"InChI=1S/C17H14N6/c1-23(2)22-15-8-14(13-6-4-3-5-7-13)16(9-18,10-19)17(15,11-20)12-21/h3-7,14H,8H2,1-2H3/b22-15+"	CN(C)/N=C/1\\CC(C(C1(C#N)C#N)(C#N)C#N)C2=CC=CC=C2	CXUJDDXXXCSOIH-PXLXIMEGSA-N
DG64141	N'-(4-(Bis(2-cyanoethyl)amino)-2-methylbenzylidene)benzohydrazide	9571551	"NSC681968; CHEMBL1983386; ZINC31870916; NSC-681968; N'-(4-(Bis(2-cyanoethyl)amino)-2-methylbenzylidene)benzohydrazide; Benzoic acid, [[2-methyl-4-[bis(2-cyanoethyl)amino]phenyl]methylene] hydrazide; N-[(E)-[4-[bis(2-cyanoethyl)amino]-2-methyl-phenyl]methyleneamino]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681968	.	.	.	.	359.4	C21H21N5O	92.3	572	2.7	27	1	5	8	"InChI=1S/C21H21N5O/c1-17-15-20(26(13-5-11-22)14-6-12-23)10-9-19(17)16-24-25-21(27)18-7-3-2-4-8-18/h2-4,7-10,15-16H,5-6,13-14H2,1H3,(H,25,27)/b24-16+"	CC1=C(C=CC(=C1)N(CCC#N)CCC#N)/C=N/NC(=O)C2=CC=CC=C2	ZSEGDHLISCXXDD-LFVJCYFKSA-N
DG64142	"2-ethoxy-3,17-dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one hydrazone"	9571560	"NSC682597; 2-Ethoxy-3,17-dihydroxyestra-1,3,5(10)-trien-6-one hydrazone; 2-ethoxy-3,17-dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one hydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682597	.	.	.	.	344.4	C20H28N2O3	88.1	539	3.1	25	3	5	2	"InChI=1S/C20H28N2O3/c1-3-25-18-10-12-11-6-7-20(2)15(4-5-19(20)24)13(11)8-16(22-21)14(12)9-17(18)23/h9-11,13,15,19,23-24H,3-8,21H2,1-2H3/b22-16+"	CCOC1=C(C=C2/C(=N/N)/CC3C(C2=C1)CCC4(C3CCC4O)C)O	FAWYOZHQZVQBPR-CJLVFECKSA-N
DG64143	"N'-Benzylidene-4-((2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide"	9571571	"NSC683746; CHEMBL1982914; NSC-683746; N'-Benzylidene-4-((2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide; N-[(E)-benzylideneamino]-4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683746	.	.	.	.	370.4	C17H14N4O4S	125	697	1.7	26	3	6	5	"InChI=1S/C17H14N4O4S/c22-16-15(19-17(23)20-16)10-12-6-8-14(9-7-12)26(24,25)21-18-11-13-4-2-1-3-5-13/h1-11,21H,(H2,19,20,22,23)/b15-10-,18-11+"	C1=CC=C(C=C1)/C=N/NS(=O)(=O)C2=CC=C(C=C2)/C=C\\3/C(=O)NC(=O)N3	UEVVJSUCCBFDOD-ODXRKRKHSA-N
DG64144	"N'-Benzylidene-4-((1-methyl-2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide"	9571572	"NSC683747; CHEMBL1967870; NSC-683747; N'-Benzylidene-4-((1-methyl-2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide; N-[(E)-benzylideneamino]-4-[(Z)-(1-methyl-2,5-dioxo-imidazolidin-4-ylidene)methyl]benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683747	.	.	.	.	384.4	C18H16N4O4S	116	727	1.9	27	2	6	5	"InChI=1S/C18H16N4O4S/c1-22-17(23)16(20-18(22)24)11-13-7-9-15(10-8-13)27(25,26)21-19-12-14-5-3-2-4-6-14/h2-12,21H,1H3,(H,20,24)/b16-11-,19-12+"	CN1C(=O)/C(=C/C2=CC=C(C=C2)S(=O)(=O)N/N=C/C3=CC=CC=C3)/NC1=O	CHXSPISSSOQPOX-XRWSEXJESA-N
DG64145	"1,3-bis[(E)-(4-bromophenyl)methyleneamino]urea"	9571579	"NSC683856; CHEMBL2003890; BDBM222431; ZINC31871366; NSC-683856; 1,3-bis[(E)-(4-bromophenyl)methyleneamino]urea; N'',N'''-Bis(4-bromobenzylidene)carbonohydrazide; N'''',N'''''-Bis[(E)-(4-bromophenyl)methylidene]carbonic dihydrazide (4)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683856	.	.	.	.	424.09	C15H12Br2N4O	65.8	364	4	22	2	3	4	"InChI=1S/C15H12Br2N4O/c16-13-5-1-11(2-6-13)9-18-20-15(22)21-19-10-12-3-7-14(17)8-4-12/h1-10H,(H2,20,21,22)/b18-9+,19-10+"	C1=CC(=CC=C1/C=N/NC(=O)N/N=C/C2=CC=C(C=C2)Br)Br	HOVJSLVQBXFGGS-VNIJRHKQSA-N
DG64146	"N-[3-(3-methylbenzimidazol-3-ium-1-yl)-1,4-dioxo-2-naphthyl]benzenesulfonamide"	9571591	"NSC685891; CHEMBL1998917; NSC-685891; N-[3-(3-methylbenzimidazol-3-ium-1-yl)-1,4-dioxo-2-naphthyl]benzenesulfonamide; N-(3-(1-Methyl-3H-benzimidazol-3-yl)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685891	.	.	.	.	443.5	C24H17N3O4S	104	916	4.4	32	0	5	3	"InChI=1S/C24H17N3O4S/c1-26-15-27(20-14-8-7-13-19(20)26)22-21(25-32(30,31)16-9-3-2-4-10-16)23(28)17-11-5-6-12-18(17)24(22)29/h2-15H,1H3"	C[N+]1=CN(C2=CC=CC=C21)C\\3=C(C4=CC=CC=C4C(=O)/C3=N\\S(=O)(=O)C5=CC=CC=C5)[O-]	JFHCYKQDKJZBPW-UHFFFAOYSA-N
DG64147	"N-[3-(4-benzylpyridin-1-ium-1-yl)-1,4-dioxo-2-naphthyl]benzenesulfonamide"	9571592	"NSC685894; CHEMBL1999603; NSC-685894; N-[3-(4-benzylpyridin-1-ium-1-yl)-1,4-dioxo-2-naphthyl]benzenesulfonamide; N-(3-(4-Benzyl-1.lambda.~5~-pyridin-1-yl)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685894	.	.	.	.	480.5	C28H20N2O4S	98.9	931	5.8	35	0	5	5	"InChI=1S/C28H20N2O4S/c31-27-23-13-7-8-14-24(23)28(32)26(25(27)29-35(33,34)22-11-5-2-6-12-22)30-17-15-21(16-18-30)19-20-9-3-1-4-10-20/h1-18H,19H2"	C1=CC=C(C=C1)CC2=CC=[N+](C=C2)C\\3=C(C4=CC=CC=C4C(=O)/C3=N\\S(=O)(=O)C5=CC=CC=C5)[O-]	VQSHSHLMIALHJN-UHFFFAOYSA-N
DG64148	N-[(E)-benzylideneamino]-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide	9571605	"NSC686367; CHEMBL1982449; NSC-686367; Acetic acid,4-dihydro-4-oxo- 2-quinazolinyl)thio]-, (phenylmethylene)hydrazide; N'-Benzylidene-2-((3-ethyl-4-oxo-3,4-dihydro-2-quinazolinyl)thio)acetohydrazide; N-[(E)-benzylideneamino]-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686367	.	.	.	.	366.4	C19H18N4O2S	99.4	572	3.2	26	1	5	6	"InChI=1S/C19H18N4O2S/c1-2-23-18(25)15-10-6-7-11-16(15)21-19(23)26-13-17(24)22-20-12-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,22,24)/b20-12+"	CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N/N=C/C3=CC=CC=C3	SVHMJVCNNBOTLB-UDWIEESQSA-N
DG64149	"N'-Benzylidene-2-(methylthio)imidazo[2,1-a]isoquinoline-3-carbohydrazide"	9571608	"NSC686660; CHEMBL2005293; NSC-686660; N'-Benzylidene-2-(methylthio)imidazo[2,1-a]isoquinoline-3-carbohydrazide; N-[(E)-benzylideneamino]-2-methylsulfanyl-imidazo[2,1-a]isoquinoline-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686660	.	.	.	.	360.4	C20H16N4OS	84.1	522	5.1	26	1	4	4	"InChI=1S/C20H16N4OS/c1-26-20-17(19(25)23-21-13-14-7-3-2-4-8-14)24-12-11-15-9-5-6-10-16(15)18(24)22-20/h2-13H,1H3,(H,23,25)/b21-13+"	CSC1=C(N2C=CC3=CC=CC=C3C2=N1)C(=O)N/N=C/C4=CC=CC=C4	WTKOEWWTPGFMGH-FYJGNVAPSA-N
DG64150	1-(2-(Aminocarbothioyl)carbohydrazonoyl)-4-methyl-5-isoquinolinyl acetate	9571611	"NSC687304; 171880-39-0; 1-(2-(Aminocarbothioyl)carbohydrazonoyl)-4-methyl-5-isoquinolinyl acetate; NSC 687304; CHEMBL1985160; NSC-687304; [1-[(E)-(carbamothioylhydrazono)methyl]-4-methyl-5-isoquinolyl] acetate; Hydrazinecarbothioamide, 2-[[4-(acetyloxy)-5-methyl- 1-isoquinolinyl]methylene]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687304	.	.	.	.	302.35	C14H14N4O2S	122	429	1.8	21	2	5	4	"InChI=1S/C14H14N4O2S/c1-8-6-16-11(7-17-18-14(15)21)10-4-3-5-12(13(8)10)20-9(2)19/h3-7H,1-2H3,(H3,15,18,21)/b17-7+"	CC1=CN=C(C2=C1C(=CC=C2)OC(=O)C)/C=N/NC(=S)N	HNJCGFUDXDBNGY-REZTVBANSA-N
DG64151	N-(1-(2-(Aminocarbothioyl)carbohydrazonoyl)-4-isoquinolinyl)-N-ethylacetamide	9571612	NSC687305; MLS002702369; 171880-49-2; N-(1-(2-(Aminocarbothioyl)carbohydrazonoyl)-4-isoquinolinyl)-N-ethylacetamide; SMR001565931; NSC 687305; CHEMBL1972328; BDBM87378; cid_3005256; ZINC33493189; NSC-687305; 4-(N-acetyl-N-ethylamino)isoquinoline-1-carboxaldehyde thiosemicarbazone; N-[1-[(E)-(carbamothioylhydrazono)methyl]-4-isoquinolyl]-N-ethyl-acetamide; N-ethyl-N-[1-[(thiocarbamoylhydrazono)methyl]-4-isoquinolyl]acetamide; N-[1-[(carbamothioylhydrazinylidene)methyl]-4-isoquinolinyl]-N-ethylacetamide; N-[1-[(carbamothioylhydrazinylidene)methyl]isoquinolin-4-yl]-N-ethyl-ethanamide; N-[1-[(carbamothioylhydrazinylidene)methyl]isoquinolin-4-yl]-N-ethylacetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687305	.	.	.	.	315.4	C15H17N5OS	116	442	1.4	22	2	4	4	"InChI=1S/C15H17N5OS/c1-3-20(10(2)21)14-9-17-13(8-18-19-15(16)22)11-6-4-5-7-12(11)14/h4-9H,3H2,1-2H3,(H3,16,19,22)/b18-8+"	CCN(C1=CN=C(C2=CC=CC=C21)/C=N/NC(=S)N)C(=O)C	WUJQBTMYHQXKTJ-QGMBQPNBSA-N
DG64152	"Hydrazinecarbothioamide, 2-[(2-pyridinyl)phenylmethylene]-N-[2-(2-pyridinyl)ethyl]-"	9571616	"NSC689531; CHEMBL2001256; NSC-689531; (E)-Phenyl(2-pyridinyl)methanone N-(2-(2-pyridinyl)ethyl)thiosemicarbazone; 1-[(E)-[phenyl(2-pyridyl)methylene]amino]-3-[2-(2-pyridyl)ethyl]thiourea; Hydrazinecarbothioamide, 2-[(2-pyridinyl)phenylmethylene]-N-[2-(2-pyridinyl)ethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689531	.	.	.	.	361.5	C20H19N5S	94.3	461	3.7	26	2	4	6	"InChI=1S/C20H19N5S/c26-20(23-15-12-17-10-4-6-13-21-17)25-24-19(16-8-2-1-3-9-16)18-11-5-7-14-22-18/h1-11,13-14H,12,15H2,(H2,23,25,26)/b24-19+"	C1=CC=C(C=C1)/C(=N\\NC(=S)NCCC2=CC=CC=N2)/C3=CC=CC=N3	HCWGGXUHVCIBHX-LYBHJNIJSA-N
DG64153	1-methyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]-1-[2-(2-pyridyl)ethyl]thiourea	9571617	NSC689532; CHEMBL1971719; NSC-689532; (E)-Phenyl(2-pyridinyl)methanone N-methyl-N-(2-(2-pyridinyl)ethyl)thiosemicarbazone; 1-methyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]-1-[2-(2-pyridyl)ethyl]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689532	.	.	.	.	375.5	C21H21N5S	85.5	489	3.8	27	1	4	6	"InChI=1S/C21H21N5S/c1-26(16-13-18-11-5-7-14-22-18)21(27)25-24-20(17-9-3-2-4-10-17)19-12-6-8-15-23-19/h2-12,14-15H,13,16H2,1H3,(H,25,27)/b24-20+"	CN(CCC1=CC=CC=N1)C(=S)N/N=C(\\C2=CC=CC=C2)/C3=CC=CC=N3	WMWKYCLHXOCJDY-HIXSDJFHSA-N
DG64154	"Ethyl 5-cyano-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-1,4-dihydropyrano[2,3-c]pyrazol-6-ylimidoformate"	9571629	"NSC691417; CHEMBL1992521; NSC-691417; ethyl (1E)-N-[5-cyano-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-4H-pyrano[2,3-c]pyrazol-6-yl]methanimidate; Ethyl 5-cyano-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-1,4-dihydropyrano[2,3-c]pyrazol-6-ylimidoformate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691417	.	.	.	.	506.6	C30H26N4O4	90.9	888	5.7	38	0	7	8	"InChI=1S/C30H26N4O4/c1-4-37-19-32-29-23(18-31)26(21-15-16-24(35-2)25(17-21)36-3)27-28(20-11-7-5-8-12-20)33-34(30(27)38-29)22-13-9-6-10-14-22/h5-17,19,26H,4H2,1-3H3/b32-19+"	CCO/C=N/C1=C(C(C2=C(O1)N(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC)C#N	VOXLHSVVVNMELG-BIZUNTBRSA-N
DG64155	(E)-Phenyl(2-pyridinyl)methanone (6-chloro-4-pyrimidinyl)hydrazone	9571636	NSC693248; CHEMBL1983402; NSC-693248; (E)-Phenyl(2-pyridinyl)methanone (6-chloro-4-pyrimidinyl)hydrazone; 6-chloro-N-[(E)-[phenyl(2-pyridyl)methylene]amino]pyrimidin-4-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693248	.	.	.	.	309.75	C16H12ClN5	63.1	370	4.3	22	1	5	4	"InChI=1S/C16H12ClN5/c17-14-10-15(20-11-19-14)21-22-16(12-6-2-1-3-7-12)13-8-4-5-9-18-13/h1-11H,(H,19,20,21)/b22-16+"	C1=CC=C(C=C1)/C(=N\\NC2=CC(=NC=N2)Cl)/C3=CC=CC=N3	JDPHMKIKVPGTDG-CJLVFECKSA-N
DG64156	"2,3,8,9-Tetramethoxydibenzo[a,e]cycloocten-5(6H)-one oxime"	9571640	"NSC693414; CHEMBL1988602; NSC-693414; 2,3,8,9-Tetramethoxydibenzo[a,e]cycloocten-5(6H)-one oxime; (5Z)-2,3,8,9-tetramethoxy-11H-dibenzo[[ ],[ ]][8]annulen-12-one oxime"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693414	.	.	.	.	355.4	C20H21NO5	69.5	522	3.9	26	1	6	4	"InChI=1S/C20H21NO5/c1-23-17-8-12-5-6-13-9-18(24-2)20(26-4)11-15(13)16(21-22)7-14(12)10-19(17)25-3/h5-6,8-11,22H,7H2,1-4H3/b6-5-,21-16+"	COC1=C(C=C2/C=C\\C3=CC(=C(C=C3/C(=N/O)/CC2=C1)OC)OC)OC	AZWBOKQODFMQQM-GTQDDMLFSA-N
DG64157	"1-(4-chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea"	9571647	"NSC695065; CHEMBL1967774; NSC-695065; 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-(4-chlorophenyl)thiosemicarbazone; 1-(4-chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695065	.	.	.	.	399.9	C19H18ClN5OS	92.1	624	2.7	27	2	4	4	"InChI=1S/C19H18ClN5OS/c1-13-17(18(26)25(24(13)2)16-6-4-3-5-7-16)12-21-23-19(27)22-15-10-8-14(20)9-11-15/h3-12H,1-2H3,(H2,22,23,27)/b21-12+"	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=N/NC(=S)NC3=CC=C(C=C3)Cl	YGVMMJFZOUIBOL-CIAFOILYSA-N
DG64158	"1-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]-3-(4-nitrophenyl)thiourea"	9571650	"NSC695331; CHEMBL1990119; NSC-695331; 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-(4-(hydroxy(oxido)amino)phenyl)thiosemicarbazone; 1-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]-3-(4-nitrophenyl)thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695331	.	.	.	.	410.5	C19H18N6O3S	138	705	3.3	29	2	6	4	"InChI=1S/C19H18N6O3S/c1-13-17(18(26)24(23(13)2)15-6-4-3-5-7-15)12-20-22-19(29)21-14-8-10-16(11-9-14)25(27)28/h3-12H,1-2H3,(H2,21,22,29)/b20-12+"	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=N/NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]	GGBNDBSELJVPFT-UDWIEESQSA-N
DG64159	"1-(3-chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea"	9571652	"NSC695333; CHEMBL2000682; NSC-695333; 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-(3-chlorophenyl)thiosemicarbazone; 1-(3-chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695333	.	.	.	.	399.9	C19H18ClN5OS	92.1	632	4.1	27	2	4	4	"InChI=1S/C19H18ClN5OS/c1-13-17(18(26)25(24(13)2)16-9-4-3-5-10-16)12-21-23-19(27)22-15-8-6-7-14(20)11-15/h3-12H,1-2H3,(H2,22,23,27)/b21-12+"	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=N/NC(=S)NC3=CC(=CC=C3)Cl	ZXSRYRYIWSVIGW-CIAFOILYSA-N
DG64160	(3E)-N-(3-nitrophenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]butanamide	9571666	NSC641860; CHEMBL2000227; NSC-641860; (3E)-N-(3-nitrophenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]butanamide; 1-[2-((2E)-2-{1-Methyl-3-[(3-nitrophenyl)amino]-3-oxopropylidene}hydrazino)-2-oxoethyl]pyridinium chloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641860	.	.	.	.	391.8	C17H18ClN5O4	120	540	.	27	2	6	6	"InChI=1S/C17H17N5O4.ClH/c1-13(19-20-17(24)12-21-8-3-2-4-9-21)10-16(23)18-14-6-5-7-15(11-14)22(25)26;/h2-9,11H,10,12H2,1H3,(H-,18,20,23,24);1H/b19-13+;"	C/C(=N\\NC(=O)C[N+]1=CC=CC=C1)/CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-].[Cl-]	OMKNVATZFAWIGI-XTWSRORZSA-N
DG64161	"(3Z)-1,1-dimethyl-3-[4-(pyridin-2-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea"	9571678	NSC645617; CHEMBL1994987; NSC-645617	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645617	.	.	.	.	328.5	C11H12N4S4	147	396	2.3	19	0	5	2	"InChI=1S/C11H12N4S4/c1-14(2)9(16)13-10-15(11(17)19-18-10)7-8-5-3-4-6-12-8/h3-6H,7H2,1-2H3/b13-10-"	CN(C)C(=S)/N=C\\1/N(C(=S)SS1)CC2=CC=CC=N2	CHRQMWFBTUXQFM-RAXLEYEMSA-N
DG64162	"(3Z)-1,1-dimethyl-3-[4-(pyridin-3-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea"	9571679	NSC645619; CHEMBL2002421; NSC-645619	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645619	.	.	.	.	328.5	C11H12N4S4	147	396	2.2	19	0	5	2	"InChI=1S/C11H12N4S4/c1-14(2)9(16)13-10-15(11(17)19-18-10)7-8-4-3-5-12-6-8/h3-6H,7H2,1-2H3/b13-10-"	CN(C)C(=S)/N=C\\1/N(C(=S)SS1)CC2=CN=CC=C2	AZOVJLSFJSTPPL-RAXLEYEMSA-N
DG64163	"(3Z)-1,1-dimethyl-3-[4-(pyridin-4-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea"	9571680	NSC645620; CHEMBL1988930; NSC-645620	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645620	.	.	.	.	328.5	C11H12N4S4	147	390	2.2	19	0	5	2	"InChI=1S/C11H12N4S4/c1-14(2)9(16)13-10-15(11(17)19-18-10)7-8-3-5-12-6-4-8/h3-6H,7H2,1-2H3/b13-10-"	CN(C)C(=S)/N=C\\1/N(C(=S)SS1)CC2=CC=NC=C2	FINOSAKDLMRRQE-RAXLEYEMSA-N
DG64164	dimethyl 2-[[(E)-1-quinoxalin-2-ylethylideneamino]carbamothioylamino]pentanedioate	9571690	NSC645633; CHEMBL1999403; NSC-645633	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645633	.	.	.	.	403.5	C18H21N5O4S	147	601	1.6	28	2	8	9	"InChI=1S/C18H21N5O4S/c1-11(15-10-19-12-6-4-5-7-13(12)20-15)22-23-18(28)21-14(17(25)27-3)8-9-16(24)26-2/h4-7,10,14H,8-9H2,1-3H3,(H2,21,23,28)/b22-11+"	C/C(=N\\NC(=S)NC(CCC(=O)OC)C(=O)OC)/C1=NC2=CC=CC=C2N=C1	NYHJGTUKUXZASS-SSDVNMTOSA-N
DG64165	2-[[[(E)-(5-bromothiophen-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate	9571695	NSC645639; CHEMBL1967732; NSC-645639	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645639	.	.	.	.	380.3	C11H14BrN3O3S2	132	358	2.5	20	2	6	8	"InChI=1S/C11H14BrN3O3S2/c1-8(16)18-5-4-17-7-13-11(19)15-14-6-9-2-3-10(12)20-9/h2-3,6H,4-5,7H2,1H3,(H2,13,15,19)/b14-6+"	CC(=O)OCCOCNC(=S)N/N=C/C1=CC=C(S1)Br	WOPZYIWBURQISS-MKMNVTDBSA-N
DG64166	2-[[[(E)-(5-nitrothiophen-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate	9571696	NSC645640; CHEMBL2002167; NSC-645640	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645640	.	.	.	.	346.4	C11H14N4O5S2	178	429	1.6	22	2	8	8	"InChI=1S/C11H14N4O5S2/c1-8(16)20-5-4-19-7-12-11(21)14-13-6-9-2-3-10(22-9)15(17)18/h2-3,6H,4-5,7H2,1H3,(H2,12,14,21)/b13-6+"	CC(=O)OCCOCNC(=S)N/N=C/C1=CC=C(S1)[N+](=O)[O-]	LZMVHTFJBDZFHR-AWNIVKPZSA-N
DG64167	"(2Z)-2-(carbamothioylhydrazono)-N-(3,4-dichlorophenyl)-2-[3-(3-nitrophenyl)-5-oxo-2-phenyl-3,4-dihydropyridazin-6-yl]acetamide"	9571700	"NSC646782; CHEMBL1980798; NSC-646782; (2Z)-2-(carbamothioylhydrazono)-N-(3,4-dichlorophenyl)-2-[3-(3-nitrophenyl)-5-oxo-2-phenyl-3,4-dihydropyridazin-6-yl]acetamide; 3-Pyridazineacetamide, a-[(aminothioxomethyl)hydrazono]-N-(3,4-dichlorophenyl)-1,4,5,6-tetrahydro-6-(3-nitrophenyl)-4-oxo-1-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646782	.	.	.	.	584.4	C25H19Cl2N7O4S	190	1020	5.5	39	3	8	6	"InChI=1S/C25H19Cl2N7O4S/c26-18-10-9-15(12-19(18)27)29-24(36)23(30-31-25(28)39)22-21(35)13-20(14-5-4-8-17(11-14)34(37)38)33(32-22)16-6-2-1-3-7-16/h1-12,20H,13H2,(H,29,36)(H3,28,31,39)/b30-23-"	C1C(N(N=C(C1=O)/C(=N/NC(=S)N)/C(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]	ZBRGNYWRFMEJDS-WMMMYUQOSA-N
DG64168	1-methyl-1-phenyl-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea	9571796	NSC655909; CHEMBL1997927; ZINC17220761; NSC-655909; 1-methyl-1-phenyl-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea; N-Methyl-N-phenyl-2-{[(2E)-2-(1-pyridin-2-ylethylidene)hydrazino]carbonothioyl}hydrazinecarbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655909	.	.	.	.	358.5	C16H18N6S2	129	462	2.8	24	3	4	3	"InChI=1S/C16H18N6S2/c1-12(14-10-6-7-11-17-14)18-19-15(23)20-21-16(24)22(2)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,21,24)(H2,19,20,23)/b18-12+"	C/C(=N\\NC(=S)NNC(=S)N(C)C1=CC=CC=C1)/C2=CC=CC=N2	YEYJNOULIUIAFD-LDADJPATSA-N
DG64169	(E)-N-[2-(Pyridin-2-yl)isoindolin-1-ylidene]pyridin-2-amine	9571798	NSC657194; CHEMBL2003279; NSC-657194; (E)-N-[2-(Pyridin-2-yl)isoindolin-1-ylidene]pyridin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657194	.	.	.	.	286.3	C18H14N4	41.4	408	2.9	22	0	3	2	"InChI=1S/C18H14N4/c1-2-8-15-14(7-1)13-22(17-10-4-6-12-20-17)18(15)21-16-9-3-5-11-19-16/h1-12H,13H2/b21-18+"	C1C2=CC=CC=C2/C(=N\\C3=CC=CC=N3)/N1C4=CC=CC=N4	YRMQBVFWBSSPRJ-DYTRJAOYSA-N
DG64170	N'-((6-Methyl-2-pyridinyl)methylene)-1-pyrrolidinecarbothiohydrazide	9571830	NSC661734; CHEMBL1965448; NSC-661734; N'-((6-Methyl-2-pyridinyl)methylene)-1-pyrrolidinecarbothiohydrazide; N'-((6-Methylpyridin-2-yl)methylene)pyrrolidine-1-carbothiohydrazide; N-[(E)-(6-methyl-2-pyridyl)methyleneamino]pyrrolidine-1-carbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661734	.	.	.	.	248.35	C12H16N4S	72.6	286	1.9	17	1	3	2	"InChI=1S/C12H16N4S/c1-10-5-4-6-11(14-10)9-13-15-12(17)16-7-2-3-8-16/h4-6,9H,2-3,7-8H2,1H3,(H,15,17)/b13-9+"	CC1=NC(=CC=C1)/C=N/NC(=S)N2CCCC2	NTPQBGPSNWNHFH-UKTHLTGXSA-N
DG64171	Triapine	9571836	"Triapine; 236392-56-6; 143621-35-6; 200933-27-3; 3-AP; 3-Aminopyridine-2-carboxaldehyde thiosemicarbazone; OCX 191; UNII-U4XIL4091C; 2-((3-Aminopyridin-2-yl)methylene)hydrazinecarbothioamide; PAN-811; U4XIL4091C; [(E)-(3-aminopyridin-2-yl)methylideneamino]thiourea; NSC-663249; 3-Apct; 3-aminopyridine-2-carbaldehyde-thiosemicarbazone; Pan 811; (E)-2-((3-aminopyridin-2-yl)methylene)hydrazinecarbothioamide; Hydrazinecarbothioamide, 2-[(3-amino-2-pyridinyl)methylene]-, (E)-; NSC 663249; PAN811; 2-[(3-Amino-2-pyridinyl)methylene]hydrazinecarbothioamide; [(E)-(3-amino-2-pyridyl)methyleneamino]thiourea; SCHEMBL29370; CHEMBL231616; DTXSID90893923; OCX-191; Hydrazinecarbothioamide, 2-((3-amino-2-pyridinyl)methylene)-; EX-A1926; OCX-0191; ZINC8665373; 7050AA; BDBM50198892; MFCD00924747; NSC759096; s7470; AKOS006273720; CCG-266543; DB11940; NSC-759096; QC-5408; AS-16679; HY-10082; Y1881; A14306; 392T566; A857776; A879844; A936642; 3-Aminopyridine-2-carboxaldehyde- thiosemicarbazone; Hydrazinecarbothioamide,2-(3-amino-2-pyridinyl)methylene-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759096	.	.	.	.	195.25	C7H9N5S	121	205	-0.2	13	3	4	2	"InChI=1S/C7H9N5S/c8-5-2-1-3-10-6(5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4+"	C1=CC(=C(N=C1)/C=N/NC(=S)N)N	XMYKNCNAZKMVQN-NYYWCZLTSA-N
DG64172	(2Z)-3-phenyl-2-[[9-(p-tolyl)purin-6-yl]hydrazono]thiazolidin-4-one	9571867	"NSC667705; CHEMBL1998602; ZINC5553462; NSC-667705; (2Z)-3-phenyl-2-[[9-(p-tolyl)purin-6-yl]hydrazono]thiazolidin-4-one; 2,4-Thiazolidinedione, 3-phenyl-, 2-[[9-(4-methylphenyl)-9H-purin-6-yl]hydrazone], (2Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667705	.	.	.	.	415.5	C21H17N7OS	114	647	4.5	30	1	7	4	"InChI=1S/C21H17N7OS/c1-14-7-9-15(10-8-14)27-13-24-18-19(22-12-23-20(18)27)25-26-21-28(17(29)11-30-21)16-5-3-2-4-6-16/h2-10,12-13H,11H2,1H3,(H,22,23,25)/b26-21-"	CC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)N/N=C\\4/N(C(=O)CS4)C5=CC=CC=C5	YNRRSQXTOLYURT-QLYXXIJNSA-N
DG64173	"(2Z)-2-[[5-(4-chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]hydrazono]-3-methyl-thiazolidin-4-one"	9571868	"NSC667708; CHEMBL1991528; NSC-667708; (2Z)-2-[[5-(4-chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]hydrazono]-3-methyl-thiazolidin-4-one; 2,4-Thiazolidinedione, 3-methyl-, 2-[[5-(4-chlorophenyl)-7-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]hydrazone], (2Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667708	.	.	.	.	463	C23H19ClN6OS	101	709	5.7	32	1	6	4	"InChI=1S/C23H19ClN6OS/c1-14-3-9-17(10-4-14)30-11-18(15-5-7-16(24)8-6-15)20-21(25-13-26-22(20)30)27-28-23-29(2)19(31)12-32-23/h3-11,13H,12H2,1-2H3,(H,25,26,27)/b28-23-"	CC1=CC=C(C=C1)N2C=C(C3=C(N=CN=C32)N/N=C\\4/N(C(=O)CS4)C)C5=CC=C(C=C5)Cl	HYKRHCVSTJOSQY-NFFVHWSESA-N
DG64174	1-[2-(2-pyridyl)ethyl]-3-[(E)-2-pyridylmethyleneamino]thiourea	9571904	NSC670779; CHEMBL1971835; NSC-670779; 1-[2-(2-pyridyl)ethyl]-3-[(E)-2-pyridylmethyleneamino]thiourea; 2-Pyridinecarbaldehyde N-(2-(2-pyridinyl)ethyl)thiosemicarbazone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670779	.	.	.	.	285.37	C14H15N5S	94.3	321	1.8	20	2	4	5	"InChI=1S/C14H15N5S/c20-14(17-10-7-12-5-1-3-8-15-12)19-18-11-13-6-2-4-9-16-13/h1-6,8-9,11H,7,10H2,(H2,17,19,20)/b18-11+"	C1=CC=NC(=C1)CCNC(=S)N/N=C/C2=CC=CC=N2	YDGUQTMRXAWNNJ-WOJGMQOQSA-N
DG64175	1-methyl-1-[2-(2-pyridyl)ethyl]-3-[(E)-2-pyridylmethyleneamino]thiourea	9571905	NSC670780; CHEMBL1986208; NSC-670780; 1-methyl-1-[2-(2-pyridyl)ethyl]-3-[(E)-2-pyridylmethyleneamino]thiourea; 2-Pyridinecarbaldehyde N-methyl-N-(2-(2-pyridinyl)ethyl)thiosemicarbazone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670780	.	.	.	.	299.4	C15H17N5S	85.5	347	2	21	1	4	5	"InChI=1S/C15H17N5S/c1-20(11-8-13-6-2-4-9-16-13)15(21)19-18-12-14-7-3-5-10-17-14/h2-7,9-10,12H,8,11H2,1H3,(H,19,21)/b18-12+"	CN(CCC1=CC=CC=N1)C(=S)N/N=C/C2=CC=CC=N2	KQFOTJZIJFADKP-LDADJPATSA-N
DG64176	1-[(E)-(6-methyl-2-pyridyl)methyleneamino]-3-propyl-thiourea	9571906	NSC670781; CHEMBL1968369; NSC-670781; 6-Methyl-2-pyridinecarbaldehyde N-propylthiosemicarbazone; 1-[(E)-(6-methyl-2-pyridyl)methyleneamino]-3-propyl-thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670781	.	.	.	.	236.34	C11H16N4S	81.4	242	2.2	16	2	3	4	"InChI=1S/C11H16N4S/c1-3-7-12-11(16)15-13-8-10-6-4-5-9(2)14-10/h4-6,8H,3,7H2,1-2H3,(H2,12,15,16)/b13-8+"	CCCNC(=S)N/N=C/C1=CC=CC(=N1)C	MHUYOCMNHSGPCA-MDWZMJQESA-N
DG64177	1-cyclohexyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea	9571907	NSC670782; CHEMBL1993281; NSC-670782; 6-Methyl-2-pyridinecarbaldehyde N-cyclohexylthiosemicarbazone; 1-cyclohexyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670782	.	.	.	.	276.4	C14H20N4S	81.4	313	3.1	19	2	3	3	"InChI=1S/C14H20N4S/c1-11-6-5-9-13(16-11)10-15-18-14(19)17-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H2,17,18,19)/b15-10+"	CC1=NC(=CC=C1)/C=N/NC(=S)NC2CCCCC2	UGJAURNWOLHLMV-XNTDXEJSSA-N
DG64178	1-tert-butyl-3-[(E)-2-pyridylmethyleneamino]thiourea	9571908	NSC670786; CHEMBL2006241; NSC-670786; 1-tert-butyl-3-[(E)-2-pyridylmethyleneamino]thiourea; 2-Pyridinecarbaldehyde N-(tert-butyl)thiosemicarbazone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670786	.	.	.	.	236.34	C11H16N4S	81.4	257	1.8	16	2	3	3	"InChI=1S/C11H16N4S/c1-11(2,3)14-10(16)15-13-8-9-6-4-5-7-12-9/h4-8H,1-3H3,(H2,14,15,16)/b13-8+"	CC(C)(C)NC(=S)N/N=C/C1=CC=CC=N1	ULLQNBIDEXPKQN-MDWZMJQESA-N
DG64179	1-tert-butyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea	9571909	NSC670787; CHEMBL1988882; NSC-670787; 6-Methyl-2-pyridinecarbaldehyde N-(tert-butyl)thiosemicarbazone; 1-tert-butyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670787	.	.	.	.	250.37	C12H18N4S	81.4	283	2.2	17	2	3	3	"InChI=1S/C12H18N4S/c1-9-6-5-7-10(14-9)8-13-16-11(17)15-12(2,3)4/h5-8H,1-4H3,(H2,15,16,17)/b13-8+"	CC1=NC(=CC=C1)/C=N/NC(=S)NC(C)(C)C	WOZWUGLWBHDQPN-MDWZMJQESA-N
DG64180	1-methyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]-1-[2-(2-pyridyl)ethyl]thiourea	9571920	NSC670968; CHEMBL1966871; NSC-670968; 1-methyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]-1-[2-(2-pyridyl)ethyl]thiourea; 6-Methyl-2-pyridinecarbaldehyde N-methyl-N-(2-(2-pyridinyl)ethyl)thiosemicarbazone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670968	.	.	.	.	313.4	C16H19N5S	85.5	374	2.4	22	1	4	5	"InChI=1S/C16H19N5S/c1-13-6-5-8-15(19-13)12-18-20-16(22)21(2)11-9-14-7-3-4-10-17-14/h3-8,10,12H,9,11H2,1-2H3,(H,20,22)/b18-12+"	CC1=NC(=CC=C1)/C=N/NC(=S)N(C)CCC2=CC=CC=N2	VXLQGSTWRCRJRA-LDADJPATSA-N
DG64181	"(Z)-3-[[(4Z)-4-(5,5-dimethyl-4-methyliminofuran-2-yl)imino-5,5-dimethylfuran-2-yl]amino]-4-hydroxy-4-methylpent-2-enenitrile"	9571921	NSC670995; CHEMBL1997128; NSC-670995	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670995	.	.	.	.	358.4	C19H26N4O3	99.2	802	1.9	26	2	7	4	"InChI=1S/C19H26N4O3/c1-17(2,24)12(8-9-20)22-16-11-14(19(5,6)26-16)23-15-10-13(21-7)18(3,4)25-15/h8,10-11,22,24H,1-7H3/b12-8-,21-13 ,23-14-"	CC1(/C(=N\\C2=CC(=NC)C(O2)(C)C)/C=C(O1)N/C(=C\\C#N)/C(C)(C)O)C	GKQOLCCUJNAKTN-CHIDIZNZSA-N
DG64182	"17-[O-(2-pyrrolidinoethyl)]oximino-3-methoxy-1,5(10)-estratriene hydrochloride"	9571967	"NSC680095; CHEMBL1965446; NSC-680095; 17-[O-(2-pyrrolidinoethyl)]oximino-3-methoxy-1,5(10)- estratriene hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680095	.	.	.	.	433	C25H37ClN2O2	34.1	602	.	30	1	4	5	"InChI=1S/C25H36N2O2.ClH/c1-25-12-11-21-20-8-6-19(28-2)17-18(20)5-7-22(21)23(25)9-10-24(25)26-29-16-15-27-13-3-4-14-27;/h6,8,17,21-23H,3-5,7,9-16H2,1-2H3;1H/b26-24+;/t21-,22-,23+,25+;/m1./s1"	C[C@]1\\2CC[C@H]3[C@H]([C@@H]1CC/C2=N\\OCCN4CCCC4)CCC5=C3C=CC(=C5)OC.Cl	DHCVWBOAEGTZDS-JPTFXBEYSA-N
DG64183	"tert-butyl N-[2-[[(5S,6E)-5-hydroxy-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]amino]-2-oxo-ethyl]carbamate"	9571977	"NSC681947; CHEMBL1964723; NSC-681947; Carbamic acid, [2-[[(5S,6E)-5,6-dihydro-5-hydroxy-6-(hydroxyimino)-4H-cyclopenta[b]thien-4-yl]amino]-2-oxoethyl]-, 1,1-dimethylethyl ester; tert-butyl N-[2-[[(5S,6E)-5-hydroxy-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]amino]-2-oxo-ethyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681947	.	.	.	.	341.38	C14H19N3O5S	149	505	1.6	23	4	7	5	"InChI=1S/C14H19N3O5S/c1-14(2,3)22-13(20)15-6-8(18)16-9-7-4-5-23-12(7)10(17-21)11(9)19/h4-5,9,11,19,21H,6H2,1-3H3,(H,15,20)(H,16,18)/b17-10+/t9 ,11-/m0/s1"	CC(C)(C)OC(=O)NCC(=O)NC1[C@@H](/C(=N\\O)/C2=C1C=CS2)O	ZSGYMOFSOULYKR-GGHAQYGFSA-N
DG64184	"(4Z)-2-methyl-4-pyridin-2-yliminobenzo[f][1,3]benzoxazol-9-one"	9571984	NSC682435; CHEMBL1993751; NSC-682435	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682435	.	.	.	.	289.29	C17H11N3O2	68.4	479	3.5	22	0	5	1	"InChI=1S/C17H11N3O2/c1-10-19-15-14(20-13-8-4-5-9-18-13)11-6-2-3-7-12(11)16(21)17(15)22-10/h2-9H,1H3/b20-14-"	CC1=NC\\2=C(O1)C(=O)C3=CC=CC=C3/C2=N/C4=CC=CC=N4	STSWKZPCZLWPBD-ZHZULCJRSA-N
DG64185	NSC683784	9571993	"[(E)-[(8R,9S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-oxo-10H-acridine-4-carboxylate; NSC683784; CHEMBL1974560; NSC-683784"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683784	.	.	.	.	548.7	C35H36N2O4	88	1200	6.4	41	2	6	5	"InChI=1S/C35H36N2O4/c1-3-34-18-16-24-23-15-13-22(20-21(23)12-14-25(24)29(34)17-19-35(34,40)4-2)37-41-33(39)28-10-7-9-27-31(28)36-30-11-6-5-8-26(30)32(27)38/h2,5-11,20,23-25,29,40H,3,12-19H2,1H3,(H,36,38)/b37-22+/t23 ,24-,25-,29+,34+,35+/m1/s1"	CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C/C(=N/OC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)/CCC34	LNSRLWLDTBUMPE-SCFHEKCPSA-N
DG64186	NSC684408	9572000	"[(E)-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-17-(2-hexanoyloxyacetyl)-11-hydroxy-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-oxo-10H-acridine-4-carboxylate; NSC684408; CHEMBL1983617; NSC-684408"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684408	.	.	.	.	710.8	C42H47FN2O7	131	1520	7.9	52	2	10	11	"InChI=1S/C42H47FN2O7/c1-5-6-7-15-35(48)51-22-34(47)36-23(2)18-29-28-20-31(43)30-19-24(16-17-41(30,3)37(28)33(46)21-42(29,36)4)45-52-40(50)27-13-10-12-26-38(27)44-32-14-9-8-11-25(32)39(26)49/h8-14,16-17,19,23,28-29,31,33,36-37,46H,5-7,15,18,20-22H2,1-4H3,(H,44,49)/b45-24+/t23-,28+,29+,31+,33+,36-,37-,41+,42+/m1/s1"	CCCCCC(=O)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=C/C(=N/OC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)/C=C[C@]34C)F)O)C)C	SWWFYEFPGVFWNB-GLOFCQFWSA-N
DG64187	"18-Norestr-4-en-3-one,2-[(9,10-dihydro-10-oxo-4-acridinyl)carbonyl]hydrazone"	9572001	"NSC684409; CHEMBL2005562; NSC-684409; 18-Norestr-4-en-3-one,2-[(9,10-dihydro-10-oxo-4-acridinyl)carbonyl]hydrazone; Acridine-4-carboxylic acid,10-dihydro-9-oxo-, 2-(17-ethynyl-13-ethyl-17.beta.-hydroxy- 4-gonen-3-ylidene)hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684409	.	.	.	.	547.7	C35H37N3O3	90.8	1200	5.8	41	3	5	4	"InChI=1S/C35H37N3O3/c1-3-34-18-16-24-23-15-13-22(20-21(23)12-14-25(24)29(34)17-19-35(34,41)4-2)37-38-33(40)28-10-7-9-27-31(28)36-30-11-6-5-8-26(30)32(27)39/h2,5-11,20,23-25,29,41H,3,12-19H2,1H3,(H,36,39)(H,38,40)/b37-22+/t23 ,24-,25-,29+,34+,35+/m1/s1"	CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C/C(=N/NC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)/CCC34	MMPFAQBCJMMYGH-SCFHEKCPSA-N
DG64188	"(2R,4R)-2,6,6-trimethyl-4-pentadecyl-1,3,6,2lambda5-dioxazaphosphocan-6-ium 2-oxide;bromide"	9572011	MLS002702377; NSC688027; CHEMBL1993589; NSC-688027	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688027	.	.	.	.	484.5	C22H47BrNO3P	35.5	414	.	28	0	4	14	"InChI=1S/C22H47NO3P.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-21-23(2,3)19-20-25-27(4,24)26-22;/h22H,5-21H2,1-4H3;1H/q+1;/p-1/t22-,27-;/m1./s1"	CCCCCCCCCCCCCCC[C@@H]1C[N+](CCO[P@@](=O)(O1)C)(C)C.[Br-]	JMQIBMOTGMRNKZ-OHHMFLEWSA-M
DG64189	NSC690777	9572021	"(3E,10R,13S,17S)-3-[2-(diethylamino)ethoxyimino]-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol; NSC690777; CHEMBL1990600; NSC-690777"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690777	.	.	.	.	416.6	C26H44N2O2	45.1	699	4.7	30	1	4	6	"InChI=1S/C26H44N2O2/c1-6-28(7-2)16-17-30-27-20-10-13-24(3)19(18-20)8-9-21-22(24)11-14-25(4)23(21)12-15-26(25,5)29/h18,21-23,29H,6-17H2,1-5H3/b27-20+/t21 ,22 ,23 ,24-,25-,26-/m0/s1"	CCN(CC)CCO/N=C/1\\CC[C@@]2(C3CC[C@]4(C(C3CCC2=C1)CC[C@]4(C)O)C)C	NUFNKKADZZCMSV-YEDICODJSA-N
DG64190	NSC690778	9572022	"(3E,10R,13S,17S)-10,13,17-trimethyl-3-(2-pyrrolidin-1-ylethoxyimino)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol; NSC690778; CHEMBL1983956; NSC-690778"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690778	.	.	.	.	414.6	C26H42N2O2	45.1	727	4.5	30	1	4	4	"InChI=1S/C26H42N2O2/c1-24-11-8-20(27-30-17-16-28-14-4-5-15-28)18-19(24)6-7-21-22(24)9-12-25(2)23(21)10-13-26(25,3)29/h18,21-23,29H,4-17H2,1-3H3/b27-20+/t21 ,22 ,23 ,24-,25-,26-/m0/s1"	C[C@]12CC/C(=N\\OCCN3CCCC3)/C=C1CCC4C2CC[C@]5(C4CC[C@]5(C)O)C	PDWOMRLKPDZJKU-YEDICODJSA-N
DG64191	methyl N-[(E)-1-[4-[methyl(phenyl)sulfamoyl]phenyl]ethylideneamino]carbamodithioate	9572027	"NSC691414; CHEMBL1996314; ZINC5831001; NSC-691414; methyl N-[(E)-1-[4-[methyl(phenyl)sulfamoyl]phenyl]ethylideneamino]carbamodithioate; Hydrazinecarbodithioic acid, 2-[1-[4-[(methylphenylamino)sulfonyl]phenyl]ethylidene]-, methyl ester, (2E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691414	.	.	.	.	393.6	C17H19N3O2S3	128	572	3.6	25	1	6	6	"InChI=1S/C17H19N3O2S3/c1-13(18-19-17(23)24-3)14-9-11-16(12-10-14)25(21,22)20(2)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,19,23)/b18-13+"	C/C(=N\\NC(=S)SC)/C1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2	XMMVECJQUUJIMV-QGOAFFKASA-N
DG64192	N-[(Z)-(3-allyl-4-oxo-thiazolidin-2-ylidene)amino]-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide	9572029	"NSC691527; CHEMBL1994469; NSC-691527; N'-[(2Z)-3-Allyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-[(3-ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio]acetohydrazide; N-[(Z)-(3-allyl-4-oxo-thiazolidin-2-ylidene)amino]-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691527	.	.	.	.	417.5	C18H19N5O3S2	145	724	2.7	28	1	7	7	"InChI=1S/C18H19N5O3S2/c1-3-9-23-15(25)11-28-18(23)21-20-14(24)10-27-17-19-13-8-6-5-7-12(13)16(26)22(17)4-2/h3,5-8H,1,4,9-11H2,2H3,(H,20,24)/b21-18-"	CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N/N=C\\3/N(C(=O)CS3)CC=C	DLXWUDSTKSLEEV-UZYVYHOESA-N
DG64193	N-[(Z)-(3-ethyl-5-methyl-4-oxo-thiazolidin-2-ylidene)amino]-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide	9572031	"NSC691529; CHEMBL1978739; NSC-691529; N'-[(2Z)-3,5-Dimethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-[(3-ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio]acetohydrazide; N-[(Z)-(3-ethyl-5-methyl-4-oxo-thiazolidin-2-ylidene)amino]-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691529	.	.	.	.	419.5	C18H21N5O3S2	145	711	2.8	28	1	7	6	"InChI=1S/C18H21N5O3S2/c1-4-22-15(25)11(3)28-18(22)21-20-14(24)10-27-17-19-13-9-7-6-8-12(13)16(26)23(17)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,20,24)/b21-18-"	CCN\\1C(=O)C(S/C1=N\\NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC)C	AVRQOBSJGKPFJG-UZYVYHOESA-N
DG64194	"N-[(E)-1-pyridazin-3-ylethylideneamino]-1,3-benzothiazol-2-amine"	9572043	NSC693630; CHEMBL2006591; NSC-693630	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693630	.	.	.	.	269.33	C13H11N5S	91.3	335	2.8	19	1	6	3	"InChI=1S/C13H11N5S/c1-9(10-6-4-8-14-17-10)16-18-13-15-11-5-2-3-7-12(11)19-13/h2-8H,1H3,(H,15,18)/b16-9+"	C/C(=N\\NC1=NC2=CC=CC=C2S1)/C3=NN=CC=C3	YWCYOZDRZBDPOA-CXUHLZMHSA-N
DG64195	"N-[(E)-1-pyrazin-2-ylethylideneamino]-1,3-benzothiazol-2-amine"	9572044	NSC693631; CHEMBL1971064; NSC-693631	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693631	.	.	.	.	269.33	C13H11N5S	91.3	335	2.7	19	1	6	3	"InChI=1S/C13H11N5S/c1-9(11-8-14-6-7-15-11)17-18-13-16-10-4-2-3-5-12(10)19-13/h2-8H,1H3,(H,16,18)/b17-9+"	C/C(=N\\NC1=NC2=CC=CC=C2S1)/C3=NC=CN=C3	SKRYPHLFZNQIPE-RQZCQDPDSA-N
DG64196	"N-[(E)-1-(6-methylpyrimidin-4-yl)ethylideneamino]-1,3-benzothiazol-2-amine"	9572045	NSC693633; CHEMBL1994717; NSC-693633	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693633	.	.	.	.	283.35	C14H13N5S	91.3	362	3.6	20	1	6	3	"InChI=1S/C14H13N5S/c1-9-7-12(16-8-15-9)10(2)18-19-14-17-11-5-3-4-6-13(11)20-14/h3-8H,1-2H3,(H,17,19)/b18-10+"	CC1=CC(=NC=N1)/C(=N/NC2=NC3=CC=CC=C3S2)/C	SEJMSFFDFURLDL-VCHYOVAHSA-N
DG64197	"5-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine"	9572046	NSC693634; CHEMBL1992567; SCHEMBL17963013; NSC-693634	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693634	.	.	.	.	286.33	C14H11FN4S	78.4	365	3.9	20	1	6	3	"InChI=1S/C14H11FN4S/c1-9(11-4-2-3-7-16-11)18-19-14-17-12-8-10(15)5-6-13(12)20-14/h2-8H,1H3,(H,17,19)/b18-9+"	C/C(=N\\NC1=NC2=C(S1)C=CC(=C2)F)/C3=CC=CC=N3	BVNKDAAWEJTNOD-GIJQJNRQSA-N
DG64198	"N-[(E)-1-pyridin-2-ylethylideneamino]-[1,3]thiazolo[5,4-b]pyridin-2-amine"	9572047	NSC693635; CHEMBL1969842; SCHEMBL19449266; NSC-693635	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693635	.	.	.	.	269.33	C13H11N5S	91.3	335	3.1	19	1	6	3	"InChI=1S/C13H11N5S/c1-9(10-5-2-3-7-14-10)17-18-13-16-11-6-4-8-15-12(11)19-13/h2-8H,1H3,(H,16,18)/b17-9+"	C/C(=N\\NC1=NC2=C(S1)N=CC=C2)/C3=CC=CC=N3	ANMRRQRSIVOLHB-RQZCQDPDSA-N
DG64199	"N-[(E)-1-pyrimidin-2-ylethylideneamino]-1,3-benzothiazol-2-amine"	9572048	MLS002702427; NSC693636; CHEMBL1989044; NSC-693636	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693636	.	.	.	.	269.33	C13H11N5S	91.3	329	3.2	19	1	6	3	"InChI=1S/C13H11N5S/c1-9(12-14-7-4-8-15-12)17-18-13-16-10-5-2-3-6-11(10)19-13/h2-8H,1H3,(H,16,18)/b17-9+"	C/C(=N\\NC1=NC2=CC=CC=C2S1)/C3=NC=CC=N3	UWEYFUAPWACRTE-RQZCQDPDSA-N
DG64200	"N-[(E)-1-(6-methylpyrimidin-4-yl)ethylideneamino]-1,3-benzoxazol-2-amine"	9572049	NSC-693637; NSC693637; CHEMBL385309	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693637	.	.	.	.	267.29	C14H13N5O	76.2	362	2.9	20	1	6	3	"InChI=1S/C14H13N5O/c1-9-7-12(16-8-15-9)10(2)18-19-14-17-11-5-3-4-6-13(11)20-14/h3-8H,1-2H3,(H,17,19)/b18-10+"	CC1=CC(=NC=N1)/C(=N/NC2=NC3=CC=CC=C3O2)/C	ITNLPLBIHXHFPI-VCHYOVAHSA-N
DG64201	"N-[(E)-1-isoquinolin-3-ylethylideneamino]-1,3-benzoxazol-2-amine"	9572050	NSC-693638; MLS002702428; NSC693638; CHEMBL386573; BRD-K86180128-001-01-7	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693638	.	.	.	.	302.3	C18H14N4O	63.3	441	4.4	23	1	5	3	"InChI=1S/C18H14N4O/c1-12(16-10-13-6-2-3-7-14(13)11-19-16)21-22-18-20-15-8-4-5-9-17(15)23-18/h2-11H,1H3,(H,20,22)/b21-12+"	C/C(=N\\NC1=NC2=CC=CC=C2O1)/C3=CC4=CC=CC=C4C=N3	CQYWNLWTQUEJRG-CIAFOILYSA-N
DG64202	"N-[(E)-1-pyrimidin-2-ylethylideneamino]-1,3-benzoxazol-2-amine"	9572051	NSC-693639; MLS002702429; NSC693639; CHEMBL217229	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693639	.	.	.	.	253.26	C13H11N5O	76.2	329	2.3	19	1	6	3	"InChI=1S/C13H11N5O/c1-9(12-14-7-4-8-15-12)17-18-13-16-10-5-2-3-6-11(10)19-13/h2-8H,1H3,(H,16,18)/b17-9+"	C/C(=N\\NC1=NC2=CC=CC=C2O1)/C3=NC=CC=N3	FTVKANYOVYWVHC-RQZCQDPDSA-N
DG64203	"(NE)-N-(6-amino-1,3-diiodo-5,6-dihydrocyclopenta[c]thiophen-4-ylidene)hydroxylamine;hydrochloride"	9572057	NSC697524; CHEMBL1979231; NSC-697524	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697524	.	.	.	.	456.47	C7H7ClI2N2OS	86.8	251	.	14	3	4	0	"InChI=1S/C7H6I2N2OS.ClH/c8-6-4-2(10)1-3(11-12)5(4)7(9)13-6;/h2,12H,1,10H2;1H/b11-3+;"	C\\1C(C2=C(SC(=C2/C1=N/O)I)I)N.Cl	GEMPNSJAMLYORI-KODGKZAJSA-N
DG64204	"(NE)-N-(6-amino-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-ylidene)hydroxylamine;hydrochloride"	9572058	NSC697525; CHEMBL2003322; NSC-697525	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697525	.	.	.	.	273.6	C7H7Cl3N2OS	86.8	251	.	14	3	4	0	"InChI=1S/C7H6Cl2N2OS.ClH/c8-6-4-2(10)1-3(11-12)5(4)7(9)13-6;/h2,12H,1,10H2;1H/b11-3+;"	C\\1C(C2=C(SC(=C2/C1=N/O)Cl)Cl)N.Cl	ISFFOBTVVAKNTM-KODGKZAJSA-N
DG64205	[[(Z)-[3-allyl-4-(4-nitrophenyl)thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid	9572060	"NSC697581; CHEMBL2001976; NSC-697581; [[(Z)-[3-allyl-4-(4-nitrophenyl)thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid; Phosphonic acid, [[[(2Z)-4-(4-nitrophenyl)-3-(2-propenyl)-2(3H)-thiazolylidene]amino]methylene]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697581	.	.	.	.	435.29	C13H15N3O8P2S	202	725	-0.8	27	4	10	6	"InChI=1S/C13H15N3O8P2S/c1-2-7-15-11(9-3-5-10(6-4-9)16(17)18)8-27-12(15)14-13(25(19,20)21)26(22,23)24/h2-6,8,13H,1,7H2,(H2,19,20,21)(H2,22,23,24)/b14-12-"	C=CCN\\1C(=CS/C1=N\\C(P(=O)(O)O)P(=O)(O)O)C2=CC=C(C=C2)[N+](=O)[O-]	RPQVNOFEHXJEKF-OWBHPGMISA-N
DG64206	[[(Z)-(3-ethyl-4-phenyl-thiazol-2-ylidene)amino]-phosphono-methyl]phosphonic acid	9572062	"NSC697583; CHEMBL1997334; NSC-697583; [[(Z)-(3-ethyl-4-phenyl-thiazol-2-ylidene)amino]-phosphono-methyl]phosphonic acid; Phosphonic acid, [[[(2Z)-3-ethyl-4-phenyl-2(3H)-thiazolylidene]amino]methylene]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697583	.	.	.	.	378.28	C12H16N2O6P2S	156	570	-0.9	23	4	8	5	"InChI=1S/C12H16N2O6P2S/c1-2-14-10(9-6-4-3-5-7-9)8-23-11(14)13-12(21(15,16)17)22(18,19)20/h3-8,12H,2H2,1H3,(H2,15,16,17)(H2,18,19,20)/b13-11-"	CCN\\1C(=CS/C1=N\\C(P(=O)(O)O)P(=O)(O)O)C2=CC=CC=C2	SPPXMHOVMADHNE-QBFSEMIESA-N
DG64207	[[(Z)-[3-ethyl-4-(p-tolyl)thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid	9572063	"NSC697584; CHEMBL2006346; NSC-697584; [[(Z)-[3-ethyl-4-(p-tolyl)thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid; Phosphonic acid, [[[(2Z)-3-ethyl-4-(4-methylphenyl)-2(3H)-thiazolylidene]amino]methylene]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697584	.	.	.	.	392.31	C13H18N2O6P2S	156	598	-0.5	24	4	8	5	"InChI=1S/C13H18N2O6P2S/c1-3-15-11(10-6-4-9(2)5-7-10)8-24-12(15)14-13(22(16,17)18)23(19,20)21/h4-8,13H,3H2,1-2H3,(H2,16,17,18)(H2,19,20,21)/b14-12-"	CCN\\1C(=CS/C1=N\\C(P(=O)(O)O)P(=O)(O)O)C2=CC=C(C=C2)C	QZJZHHHGCXRDLZ-OWBHPGMISA-N
DG64208	"1-[(E)-[2-chloro-6-(4-chlorophenyl)imidazo[2,1-b]thiazol-5-yl]methyleneamino]guanidine"	9572070	"NSC698274; NSC-698274; CHEMBL1910749; 1-[(E)-[2-chloro-6-(4-chlorophenyl)imidazo[2,1-b]thiazol-5-yl]methyleneamino]guanidine; Hydrazinecarboximidamide, 2-[[2-chloro-6-(4-chlorophenyl)imidazo[2,1-b]thiazol-5-yl]methylene]-, (2E)-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698274	.	.	.	.	389.7	C13H11Cl3N6S	122	450	.	23	3	4	3	"InChI=1S/C13H10Cl2N6S.ClH/c14-8-3-1-7(2-4-8)11-9(5-18-20-12(16)17)21-6-10(15)22-13(21)19-11;/h1-6H,(H4,16,17,20);1H/b18-5+;"	C1=CC(=CC=C1C2=C(N3C=C(SC3=N2)Cl)/C=N/N=C(N)N)Cl.Cl	CVBNMKAMTNOTLK-RZFZGDDESA-N
DG64209	N-[(E)-(1-oxoaceanthrylen-2-ylidene)amino]benzamide	9572075	NSC701027; CHEMBL1994110; NSC-701027	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701027	.	.	.	.	350.4	C23H14N2O2	58.5	636	5.5	27	1	3	2	"InChI=1S/C23H14N2O2/c26-22-20-17-11-5-4-9-15(17)13-16-10-6-12-18(19(16)20)21(22)24-25-23(27)14-7-2-1-3-8-14/h1-13H,(H,25,27)/b24-21+"	C1=CC=C(C=C1)C(=O)N/N=C/2\\C3=CC=CC4=CC5=CC=CC=C5C(=C43)C2=O	BALPFFAJNOVRKR-DARPEHSRSA-N
DG64210	4-methyl-N-[(E)-(1-oxoaceanthrylen-2-ylidene)amino]benzamide	9572076	NSC701029; CHEMBL1978486; NSC-701029	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701029	.	.	.	.	364.4	C24H16N2O2	58.5	664	5.9	28	1	3	2	"InChI=1S/C24H16N2O2/c1-14-9-11-15(12-10-14)24(28)26-25-22-19-8-4-6-17-13-16-5-2-3-7-18(16)21(20(17)19)23(22)27/h2-13H,1H3,(H,26,28)/b25-22+"	CC1=CC=C(C=C1)C(=O)N/N=C/2\\C3=CC=CC4=CC5=CC=CC=C5C(=C43)C2=O	GAALKPIJVPPVTE-YYDJUVGSSA-N
DG64211	"Androst-5-en-17-one, 17-oxime, (3beta)-"	9572078	"NSC701570; CHEMBL1974758; NSC-701570; Androst-5-en-17-one, 17-oxime, (3.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701570	.	.	.	.	433.6	C28H35NO3	58.9	851	5.9	32	1	4	3	"InChI=1S/C28H35NO3/c1-18(30)32-22-11-13-27(2)21(17-22)9-10-23-24(27)12-14-28(3)25(23)16-20(26(28)29-31)15-19-7-5-4-6-8-19/h4-9,15,22-25,31H,10-14,16-17H2,1-3H3/b20-15-,29-26+/t22-,23+,24-,25-,27-,28-/m0/s1"	CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]\\4([C@H]([C@@H]3CC=C2C1)C/C(=C/C5=CC=CC=C5)/C4=N\\O)C)C	YDTGQMYBRWVALF-SDKGPYMASA-N
DG64212	"1,3-bis[(E)-dimethylsulfamoyliminomethyl]benzene"	9572083	NSC702422; CHEMBL1984779; NSC-702422	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702422	.	.	.	.	346.4	C12H18N4O4S2	116	559	0.4	22	0	8	6	"InChI=1S/C12H18N4O4S2/c1-15(2)21(17,18)13-9-11-6-5-7-12(8-11)10-14-22(19,20)16(3)4/h5-10H,1-4H3/b13-9+,14-10+"	CN(C)S(=O)(=O)/N=C/C1=CC(=CC=C1)/C=N/S(=O)(=O)N(C)C	YVEUTFCURGCAEP-UTLPMFLDSA-N
DG64213	1-methyl-N-[(E)-1-pyrazin-2-ylethylideneamino]benzimidazol-2-amine	9572088	NSC703102; CHEMBL1972012; NSC-703102	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703102	.	.	.	.	266.3	C14H14N6	68	358	1.8	20	1	5	3	"InChI=1S/C14H14N6/c1-10(12-9-15-7-8-16-12)18-19-14-17-11-5-3-4-6-13(11)20(14)2/h3-9H,1-2H3,(H,17,19)/b18-10+"	C/C(=N\\NC1=NC2=CC=CC=C2N1C)/C3=NC=CN=C3	NUKIAKUHCYASBD-VCHYOVAHSA-N
DG64214	N-[(E)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine	9572090	NSC703104; CHEMBL1986936; NSC-703104	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703104	.	.	.	.	252.27	C13H12N6	78.8	331	2.3	19	2	5	3	"InChI=1S/C13H12N6/c1-9(10-6-7-14-8-15-10)18-19-13-16-11-4-2-3-5-12(11)17-13/h2-8H,1H3,(H2,16,17,19)/b18-9+"	C/C(=N\\NC1=NC2=CC=CC=C2N1)/C3=NC=NC=C3	GSVZQYFWGJGZGV-GIJQJNRQSA-N
DG64215	1-methyl-N-[(E)-1-pyrimidin-4-ylethylideneamino]benzimidazol-2-amine	9572091	NSC703105; CHEMBL2005920; SCHEMBL19449239; NSC-703105	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703105	.	.	.	.	266.3	C14H14N6	68	358	2.2	20	1	5	3	"InChI=1S/C14H14N6/c1-10(11-7-8-15-9-16-11)18-19-14-17-12-5-3-4-6-13(12)20(14)2/h3-9H,1-2H3,(H,17,19)/b18-10+"	C/C(=N\\NC1=NC2=CC=CC=C2N1C)/C3=NC=NC=C3	OSAIKAVHADRYSU-VCHYOVAHSA-N
DG64216	N-[(E)-1-isoquinolin-3-ylethylideneamino]-1H-benzimidazol-2-amine	9572092	NSC703107; CHEMBL1980850; NSC-703107	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703107	.	.	.	.	301.3	C18H15N5	66	437	4.2	23	2	4	3	"InChI=1S/C18H15N5/c1-12(17-10-13-6-2-3-7-14(13)11-19-17)22-23-18-20-15-8-4-5-9-16(15)21-18/h2-11H,1H3,(H2,20,21,23)/b22-12+"	C/C(=N\\NC1=NC2=CC=CC=C2N1)/C3=CC4=CC=CC=C4C=N3	RYXAIOOEHKWXEI-WSDLNYQXSA-N
DG64217	N-[(E)-1-isoquinolin-3-ylethylideneamino]-1-methylbenzimidazol-2-amine	9572093	NSC703108; CHEMBL1999335; NSC-703108	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703108	.	.	.	.	315.4	C19H17N5	55.1	465	4.1	24	1	4	3	"InChI=1S/C19H17N5/c1-13(17-11-14-7-3-4-8-15(14)12-20-17)22-23-19-21-16-9-5-6-10-18(16)24(19)2/h3-12H,1-2H3,(H,21,23)/b22-13+"	C/C(=N\\NC1=NC2=CC=CC=C2N1C)/C3=CC4=CC=CC=C4C=N3	UXHLNOYNGJUBBR-LPYMAVHISA-N
DG64218	"5-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine"	9572094	NSC703109; CHEMBL1965411; NSC-703109	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703109	.	.	.	.	282.4	C15H14N4S	78.4	360	4.2	20	1	5	3	"InChI=1S/C15H14N4S/c1-10-6-7-14-13(9-10)17-15(20-14)19-18-11(2)12-5-3-4-8-16-12/h3-9H,1-2H3,(H,17,19)/b18-11+"	CC1=CC2=C(C=C1)SC(=N2)N/N=C(\\C)/C3=CC=CC=N3	LIWHRJNCBZCQNJ-WOJGMQOQSA-N
DG64219	"N-[(E)-1-pyridin-2-ylethylideneamino]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine"	9572095	NSC703110; CHEMBL1993808; SCHEMBL20101035; NSC-703110	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703110	.	.	.	.	336.3	C15H11F3N4S	78.4	443	4.7	23	1	8	3	"InChI=1S/C15H11F3N4S/c1-9(11-4-2-3-7-19-11)21-22-14-20-12-8-10(15(16,17)18)5-6-13(12)23-14/h2-8H,1H3,(H,20,22)/b21-9+"	C/C(=N\\NC1=NC2=C(S1)C=CC(=C2)C(F)(F)F)/C3=CC=CC=N3	SVLOHIQKILEKEY-ZVBGSRNCSA-N
DG64220	"5-chloro-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine"	9572096	NSC703111; CHEMBL1981734; NSC-703111	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703111	.	.	.	.	302.8	C14H11ClN4S	78.4	365	4.4	20	1	5	3	"InChI=1S/C14H11ClN4S/c1-9(11-4-2-3-7-16-11)18-19-14-17-12-8-10(15)5-6-13(12)20-14/h2-8H,1H3,(H,17,19)/b18-9+"	C/C(=N\\NC1=NC2=C(S1)C=CC(=C2)Cl)/C3=CC=CC=N3	KFQBMSAOITVDSR-GIJQJNRQSA-N
DG64221	"N-[(E)-(3,5-dimethyl-6-methylsulfanyl-1,1-dioxo-2-phenylthiazin-4-yl)methylideneamino]-4-nitroaniline"	9572097	NSC703162; CHEMBL1977187; NSC-703162	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703162	.	.	.	.	444.5	C20H20N4O4S2	141	841	3.8	30	1	8	5	"InChI=1S/C20H20N4O4S2/c1-14-19(13-21-22-16-9-11-18(12-10-16)24(25)26)15(2)23(17-7-5-4-6-8-17)30(27,28)20(14)29-3/h4-13,22H,1-3H3/b21-13+"	CC1=C(S(=O)(=O)N(C(=C1/C=N/NC2=CC=C(C=C2)[N+](=O)[O-])C)C3=CC=CC=C3)SC	GACRJEZHCPBXTP-FYJGNVAPSA-N
DG64222	"N-[(E)-1-isoquinolin-3-ylethylideneamino]-1,3-benzothiazol-2-amine"	9572098	NSC703165; CHEMBL1980332; NSC-703165	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703165	.	.	.	.	318.4	C18H14N4S	78.4	441	5.1	23	1	5	3	"InChI=1S/C18H14N4S/c1-12(16-10-13-6-2-3-7-14(13)11-19-16)21-22-18-20-15-8-4-5-9-17(15)23-18/h2-11H,1H3,(H,20,22)/b21-12+"	C/C(=N\\NC1=NC2=CC=CC=C2S1)/C3=CC4=CC=CC=C4C=N3	YITHSFNNFSPBCY-CIAFOILYSA-N
DG64223	NSC703874	9572109	"N-[(E)-[(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]acridine-4-carboxamide; NSC703874; CHEMBL2006324; NSC-703874"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703874	.	.	.	.	531.7	C35H37N3O2	74.6	1120	6	40	2	4	4	"InChI=1S/C35H37N3O2/c1-3-34-18-16-27-26-15-13-25(21-22(26)12-14-28(27)30(34)17-19-35(34,40)4-2)37-38-33(39)29-10-7-9-24-20-23-8-5-6-11-31(23)36-32(24)29/h2,5-11,20-21,26-28,30,40H,3,12-19H2,1H3,(H,38,39)/b37-25+/t26-,27+,28+,30-,34-,35-/m0/s1"	CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C/C(=N/NC(=O)C5=CC=CC6=CC7=CC=CC=C7N=C65)/CC[C@H]34	QFLMVJADQLUMMQ-PDHQMZKCSA-N
DG64224	N-[(Z)-[2-(4-nitrophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide	9572115	NSC703889; CHEMBL1982390; NSC-703889	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703889	.	.	.	.	404.4	C20H16N6O4	135	615	2.3	30	1	7	7	"InChI=1S/C20H16N6O4/c27-20(16-7-11-22-12-8-16)25-24-19(23-13-15-5-9-21-10-6-15)14-30-18-3-1-17(2-4-18)26(28)29/h1-13H,14H2,(H,25,27)/b23-13 ,24-19-"	C1=CC(=CC=C1[N+](=O)[O-])OC/C(=N/NC(=O)C2=CC=NC=C2)/N=CC3=CC=NC=C3	WDAMHJASFWQREE-LGPRKWHSSA-N
DG64225	"(NE)-N-[(4E)-1,3-dibromo-4-hydroxyiminocyclopenta[c]thiophen-6-ylidene]hydroxylamine"	9572130	NSC704124; CHEMBL1965346; NSC-704124	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704124	.	.	.	.	339.99	C7H4Br2N2O2S	93.4	282	3.6	14	2	5	0	"InChI=1S/C7H4Br2N2O2S/c8-6-4-2(10-12)1-3(11-13)5(4)7(9)14-6/h12-13H,1H2/b10-2+,11-3+"	C\\1/C(=N\\O)/C2=C(SC(=C2/C1=N/O)Br)Br	PUIUOZJBQWAZHU-NXOFHUPFSA-N
DG64226	"2-butan-2-yl-N,N'-bis[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]propanediamide"	9572137	NSC704600; CHEMBL1996348; NSC-704600	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704600	.	.	.	.	414.5	C15H22N6O4S2	174	656	1.9	27	2	8	6	"InChI=1S/C15H22N6O4S2/c1-5-8(2)11(12(24)16-18-14-20(3)9(22)6-26-14)13(25)17-19-15-21(4)10(23)7-27-15/h8,11H,5-7H2,1-4H3,(H,16,24)(H,17,25)/b18-14+,19-15+"	CCC(C(C(=O)N/N=C\\1/SCC(=O)N1C)C(=O)N/N=C\\2/SCC(=O)N2C)C	NYNFYQSQKXBYMK-JSAVKQRWSA-N
DG64227	NSC704615	9572139	"[(3S,8R,9S,10R,13S,14S,16E,17E)-17-hydroxyimino-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; NSC704615; CHEMBL2000637; NSC-704615"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704615	.	.	.	.	523.7	C31H41NO6	86.6	990	5.9	38	1	7	6	"InChI=1S/C31H41NO6/c1-18(33)38-22-9-11-30(2)21(17-22)7-8-23-24(30)10-12-31(3)25(23)16-20(29(31)32-34)13-19-14-26(35-4)28(37-6)27(15-19)36-5/h7,13-15,22-25,34H,8-12,16-17H2,1-6H3/b20-13+,32-29+/t22-,23+,24-,25-,30-,31-/m0/s1"	CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]\\4([C@H]([C@@H]3CC=C2C1)C/C(=C\\C5=CC(=C(C(=C5)OC)OC)OC)/C4=N\\O)C)C	DHMSZZBPGVEVKA-MMOVUQPMSA-N
DG64228	1-Amino-2-[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonyl-3-(4-chlorophenyl)guanidine	9572176	NSC706444; CHEMBL1975925; NSC-706444	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706444	.	.	.	.	476.3	C20H15Cl2N5O3S	138	765	4.6	31	3	6	7	"InChI=1S/C20H15Cl2N5O3S/c21-13-4-6-14(7-5-13)25-20(26-24)27-31(28,29)16-10-8-15(9-11-16)30-19-3-1-2-18(22)17(19)12-23/h1-11H,24H2,(H2,25,26,27)"	C1=CC(=C(C(=C1)Cl)C#N)OC2=CC=C(C=C2)S(=O)(=O)/N=C(/NC3=CC=C(C=C3)Cl)\\NN	KREBXXOPVOEKKF-UHFFFAOYSA-N
DG64229	1-Amino-3-(4-chlorophenyl)-2-(5-pyridin-2-ylthiophen-2-yl)sulfonylguanidine	9572178	NSC706446; CHEMBL1996424; NSC-706446	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706446	.	.	.	.	407.9	C16H14ClN5O2S2	146	590	3.4	26	3	6	6	"InChI=1S/C16H14ClN5O2S2/c17-11-4-6-12(7-5-11)20-16(21-18)22-26(23,24)15-9-8-14(25-15)13-3-1-2-10-19-13/h1-10H,18H2,(H2,20,21,22)"	C1=CC=NC(=C1)C2=CC=C(S2)S(=O)(=O)/N=C(/NC3=CC=C(C=C3)Cl)\\NN	SAMFRTCQHAYMAV-UHFFFAOYSA-N
DG64230	1-Amino-2-(1-benzofuran-2-ylsulfonyl)-3-(4-chlorophenyl)guanidine	9572181	NSC706449; CHEMBL1983061; NSC-706449	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706449	.	.	.	.	364.8	C15H13ClN4O3S	118	558	3.5	24	3	5	5	"InChI=1S/C15H13ClN4O3S/c16-11-5-7-12(8-6-11)18-15(19-17)20-24(21,22)14-9-10-3-1-2-4-13(10)23-14/h1-9H,17H2,(H2,18,19,20)"	C1=CC=C2C(=C1)C=C(O2)S(=O)(=O)/N=C(/NC3=CC=C(C=C3)Cl)\\NN	VHOZNXDWJBTFID-UHFFFAOYSA-N
DG64231	1-Amino-3-(4-chlorophenyl)-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylguanidine	9572182	NSC706450; NSC-706450; NCI60_037934	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706450	.	.	.	.	478.9	C16H14ClF3N6O2S2	151	728	3.7	30	3	9	6	"InChI=1S/C16H14ClF3N6O2S2/c1-26-13(16(18,19)20)8-11(24-26)12-6-7-14(29-12)30(27,28)25-15(23-21)22-10-4-2-9(17)3-5-10/h2-8H,21H2,1H3,(H2,22,23,25)"	CN1C(=CC(=N1)C2=CC=C(S2)S(=O)(=O)/N=C(/NC3=CC=C(C=C3)Cl)\\NN)C(F)(F)F	OOUHZVRRJCWAFQ-UHFFFAOYSA-N
DG64232	2-(Benzenesulfonyl)-1-(4-chlorophenyl)-3-hydroxyguanidine	9572188	NSC707031; CHEMBL75619; NSC-707031	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707031	.	.	.	.	325.77	C13H12ClN3O3S	99.2	450	3	21	3	4	5	"InChI=1S/C13H12ClN3O3S/c14-10-6-8-11(9-7-10)15-13(16-18)17-21(19,20)12-4-2-1-3-5-12/h1-9,18H,(H2,15,16,17)"	C1=CC=C(C=C1)S(=O)(=O)/N=C(/NC2=CC=C(C=C2)Cl)\\NO	OHOCEEISGJSVIO-UHFFFAOYSA-N
DG64233	1-(4-Chlorophenyl)-3-hydroxy-2-(5-pyridin-2-ylthiophen-2-yl)sulfonylguanidine	9572194	NSC707037; SCHEMBL8408809; CHEMBL1989932; NSC-707037	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707037	.	.	.	.	408.9	C16H13ClN4O3S2	140	591	3.7	26	3	6	6	"InChI=1S/C16H13ClN4O3S2/c17-11-4-6-12(7-5-11)19-16(20-22)21-26(23,24)15-9-8-14(25-15)13-3-1-2-10-18-13/h1-10,22H,(H2,19,20,21)"	C1=CC=NC(=C1)C2=CC=C(S2)S(=O)(=O)/N=C(/NC3=CC=C(C=C3)Cl)\\NO	KYILXLVCXMKUDB-UHFFFAOYSA-N
DG64234	"2-Thiophenesulfonamide,3-dihydro-5-(3-isoxazolyl)-"	9572195	"NSC707038; CHEMBL1967322; NSC-707038; 2-Thiophenesulfonamide,3-dihydro-5-(3-isoxazolyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707038	.	.	.	.	400.9	C14H13ClN4O4S2	151	629	2.9	25	3	7	6	"InChI=1S/C14H13ClN4O4S2/c15-9-1-3-10(4-2-9)16-14(17-20)19-25(21,22)13-6-5-12(24-13)11-7-8-23-18-11/h1-5,7-8,13,20H,6H2,(H2,16,17,19)"	C1C=C(SC1S(=O)(=O)/N=C(/NC2=CC=C(C=C2)Cl)\\NO)C3=NOC=C3	YTIJSBFBJUVJOG-UHFFFAOYSA-N
DG64235	2-[4-(2-Chloro-6-nitrophenoxy)phenyl]sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine	9572199	NSC707042; CHEMBL306168; SCHEMBL8411336; NSC-707042	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707042	.	.	.	.	497.3	C19H14Cl2N4O6S	154	759	5	32	3	7	7	"InChI=1S/C19H14Cl2N4O6S/c20-12-4-6-13(7-5-12)22-19(23-26)24-32(29,30)15-10-8-14(9-11-15)31-18-16(21)2-1-3-17(18)25(27)28/h1-11,26H,(H2,22,23,24)"	C1=CC(=C(C(=C1)Cl)OC2=CC=C(C=C2)S(=O)(=O)/N=C(/NC3=CC=C(C=C3)Cl)\\NO)[N+](=O)[O-]	XXEWYKRGVJSEOT-UHFFFAOYSA-N
DG64236	"1-(4-Chlorophenyl)-2-[3,5-dichloro-4-(4-nitrophenoxy)phenyl]sulfonyl-3-hydroxyguanidine"	9572200	NSC707043; CHEMBL76245; SCHEMBL8408910; NSC-707043	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707043	.	.	.	.	531.8	C19H13Cl3N4O6S	154	780	5.6	33	3	7	7	"InChI=1S/C19H13Cl3N4O6S/c20-11-1-3-12(4-2-11)23-19(24-27)25-33(30,31)15-9-16(21)18(17(22)10-15)32-14-7-5-13(6-8-14)26(28)29/h1-10,27H,(H2,23,24,25)"	C1=CC(=CC=C1N/C(=N/S(=O)(=O)C2=CC(=C(C(=C2)Cl)OC3=CC=C(C=C3)[N+](=O)[O-])Cl)/NO)Cl	WUJIVTLYXHIWEG-UHFFFAOYSA-N
DG64237	"2-[2,6-Bis(trifluoromethyl)phenyl]sulfonyl-1-(4-chlorophenyl)guanidine"	9572209	NSC707400; CHEMBL1975862; NSC-707400; NCI60_038126	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707400	.	.	.	.	445.8	C15H10ClF6N3O2S	92.9	647	4.9	28	2	9	4	"InChI=1S/C15H10ClF6N3O2S/c16-8-4-6-9(7-5-8)24-13(23)25-28(26,27)12-10(14(17,18)19)2-1-3-11(12)15(20,21)22/h1-7H,(H3,23,24,25)"	C1=CC(=C(C(=C1)C(F)(F)F)S(=O)(=O)/N=C(\\N)/NC2=CC=C(C=C2)Cl)C(F)(F)F	MYQLXLGLKAOCDH-UHFFFAOYSA-N
DG64238	"2-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-1-(4-chlorophenyl)guanidine"	9572213	NSC707404; NSC-707404; NCI60_038130	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707404	.	.	.	.	367.8	C13H10ClN5O2S2	147	545	3	23	2	6	4	"InChI=1S/C13H10ClN5O2S2/c14-8-4-6-9(7-5-8)16-13(15)19-23(20,21)11-3-1-2-10-12(11)18-22-17-10/h1-7H,(H3,15,16,19)"	C1=CC2=NSN=C2C(=C1)S(=O)(=O)/N=C(\\N)/NC3=CC=C(C=C3)Cl	FXJWHAYOWPXRAU-UHFFFAOYSA-N
DG64239	N'-(4-chloroanilino)pyrazine-2-carboximidamide	9572225	NSC709079; CHEMBL1982214; NSC-709079	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709079	.	.	.	.	247.68	C11H10ClN5	76.2	263	1.8	17	2	4	3	"InChI=1S/C11H10ClN5/c12-8-1-3-9(4-2-8)16-17-11(13)10-7-14-5-6-15-10/h1-7,16H,(H2,13,17)"	C1=CC(=CC=C1N/N=C(/C2=NC=CN=C2)\\N)Cl	RDCPRUPOXJDSNW-UHFFFAOYSA-N
DG64240	4-[(2Z)-2-[amino(pyrazin-2-yl)methylidene]hydrazinyl]benzoic acid	9572226	NSC709080; CHEMBL1982943; NSC-709080	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709080	.	.	.	.	257.25	C12H11N5O2	114	339	0.7	19	3	6	4	"InChI=1S/C12H11N5O2/c13-11(10-7-14-5-6-15-10)17-16-9-3-1-8(2-4-9)12(18)19/h1-7,16H,(H2,13,17)(H,18,19)"	C1=CC(=CC=C1C(=O)O)N/N=C(/C2=NC=CN=C2)\\N	XRNRPHOUMVXVSZ-UHFFFAOYSA-N
DG64241	N'-(3-chloroanilino)pyridine-3-carboximidamide	9572231	NSC709085; CHEMBL1979889; NSC-709085	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709085	.	.	.	.	246.69	C12H11ClN4	63.3	269	2.5	17	2	3	3	"InChI=1S/C12H11ClN4/c13-10-4-1-5-11(7-10)16-17-12(14)9-3-2-6-15-8-9/h1-8,16H,(H2,14,17)"	C1=CC(=CC(=C1)Cl)N/N=C(/C2=CN=CC=C2)\\N	VXDGEEJMQLWOHB-UHFFFAOYSA-N
DG64242	"2-[(E)-[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	9572239	NSC-709136; CHEMBL1910633; NSC709136	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709136	.	.	.	.	365.8	C13H12ClN7O2S	168	497	.	24	3	6	3	"InChI=1S/C13H11N7O2S.ClH/c14-12(15)18-16-7-10-11(17-13-19(10)5-6-23-13)8-1-3-9(4-2-8)20(21)22;/h1-7H,(H4,14,15,18);1H/b16-7+;"	C1=CC(=CC=C1C2=C(N3C=CSC3=N2)/C=N/N=C(N)N)[N+](=O)[O-].Cl	PPWFLEPSNYTIQD-OYXUYBEVSA-N
DG64243	"2-[(E)-[6-(4-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	9572241	NSC709137; CHEMBL2004494; NSC-709137	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709137	.	.	.	.	367.82	C13H14ClN7O2S	166	497	.	24	3	6	3	"InChI=1S/C13H13N7O2S.ClH/c14-12(15)18-16-7-10-11(17-13-19(10)5-6-23-13)8-1-3-9(4-2-8)20(21)22;/h1-4,7H,5-6H2,(H4,14,15,18);1H/b16-7+;"	C1CSC2=NC(=C(N21)/C=N/N=C(N)N)C3=CC=C(C=C3)[N+](=O)[O-].Cl	DJZBEVFNUNEDMH-OYXUYBEVSA-N
DG64244	"2-[(E)-[6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	9572243	NSC-709138; CHEMBL1910629; NSC709138	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709138	.	.	.	.	400.2	C13H11Cl2N7O2S	168	539	.	25	3	6	3	"InChI=1S/C13H10ClN7O2S.ClH/c14-8-2-1-7(5-9(8)21(22)23)11-10(6-17-19-12(15)16)20-3-4-24-13(20)18-11;/h1-6H,(H4,15,16,19);1H/b17-6+;"	C1=CC(=C(C=C1C2=C(N3C=CSC3=N2)/C=N/N=C(N)N)[N+](=O)[O-])Cl.Cl	DERWTJGOMRFXEM-ZDEOBDHWSA-N
DG64245	"(3Z)-5-chloro-1-(1-piperidylmethyl)-3-[[3-(4-pyridyl)-5-sulfanyl-1,2,4-triazol-4-yl]imino]indolin-2-one"	9572273	"NSC710103; CHEMBL1967628; NSC-710103; (3Z)-5-chloro-1-(1-piperidylmethyl)-3-[[3-(4-pyridyl)-5-sulfanyl-1,2,4-triazol-4-yl]imino]indolin-2-one; 5-chloro-1-(piperidinomethyl)-3[3'-(4''-pyridyl)-5'-mercapto-1',2',4'-triazol-2'-yl]iminoisatin; 5-chloro-1-(piperidinomethyl)-3[3'-(4-pyridyl)-5'-mercapto-1',2',4'-triazol-2'-yl]iminoisatin"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710103	.	.	.	.	453.9	C21H20ClN7OS	109	778	3.3	31	1	6	4	"InChI=1S/C21H20ClN7OS/c22-15-4-5-17-16(12-15)18(20(30)28(17)13-27-10-2-1-3-11-27)26-29-19(24-25-21(29)31)14-6-8-23-9-7-14/h4-9,12H,1-3,10-11,13H2,(H,25,31)/b26-18-"	C1CCN(CC1)CN2C3=C(C=C(C=C3)Cl)/C(=N/N4C(=NNC4=S)C5=CC=NC=C5)/C2=O	HOOPXKBLUIMULK-ITYLOYPMSA-N
DG64246	(3Z)-5-chloro-3-[4-(4-chlorophenyl)-6-(p-tolyl)pyrimidin-2-yl]imino-1-(morpholinomethyl)indolin-2-one	9572277	NSC710107; CHEMBL1971190; NSC-710107; (3Z)-5-chloro-3-[4-(4-chlorophenyl)-6-(p-tolyl)pyrimidin-2-yl]imino-1-(morpholinomethyl)indolin-2-one; 5-Chloro-1-(morpholinomethyl)-3-[4'-(p-chlorophenyl)-6'-(p-methylphenyl)pyrimidin-2'-yl]iminoisatin	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710107	.	.	.	.	558.5	C30H25Cl2N5O2	70.9	869	6.1	39	0	6	5	"InChI=1S/C30H25Cl2N5O2/c1-19-2-4-20(5-3-19)25-17-26(21-6-8-22(31)9-7-21)34-30(33-25)35-28-24-16-23(32)10-11-27(24)37(29(28)38)18-36-12-14-39-15-13-36/h2-11,16-17H,12-15,18H2,1H3/b35-28-"	CC1=CC=C(C=C1)C2=CC(=NC(=N2)/N=C\\3/C4=C(C=CC(=C4)Cl)N(C3=O)CN5CCOCC5)C6=CC=C(C=C6)Cl	HHTDMNZPYPMVFK-NUDFZHEQSA-N
DG64247	3-[(Z)-[5-chloro-2-oxo-1-(1-piperidylmethyl)indolin-3-ylidene]amino]-2-methylsulfanyl-quinazolin-4-one	9572278	NSC710109; CHEMBL1968067; NSC-710109; 5-Chloro-1-(piperidinomethyl)-3-[3'-methylmercaptoquinolin-4'-one-3'-yl]iminoisatin; 3-[(Z)-[5-chloro-2-oxo-1-(1-piperidylmethyl)indolin-3-ylidene]amino]-2-methylsulfanyl-quinazolin-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710109	.	.	.	.	468	C23H22ClN5O2S	93.9	814	4.6	32	0	6	4	"InChI=1S/C23H22ClN5O2S/c1-32-23-25-18-8-4-3-7-16(18)21(30)29(23)26-20-17-13-15(24)9-10-19(17)28(22(20)31)14-27-11-5-2-6-12-27/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3/b26-20-"	CSC1=NC2=CC=CC=C2C(=O)N1/N=C\\3/C4=C(C=CC(=C4)Cl)N(C3=O)CN5CCCCC5	IZSYFVAQBLEMGR-QOMWVZHYSA-N
DG64248	3-[(Z)-[5-chloro-1-(morpholinomethyl)-2-oxo-indolin-3-ylidene]amino]-2-methylsulfanyl-quinazolin-4-one	9572279	NSC710110; CHEMBL1997730; NSC-710110; 5-Chloro-1-(morpholinomethyl)-3-[3'-methylmercaptoquinolin-4'-one-3'-yl]iminoisatin; 3-[(Z)-[5-chloro-1-(morpholinomethyl)-2-oxo-indolin-3-ylidene]amino]-2-methylsulfanyl-quinazolin-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710110	.	.	.	.	469.9	C22H20ClN5O3S	103	817	3.4	32	0	7	4	"InChI=1S/C22H20ClN5O3S/c1-32-22-24-17-5-3-2-4-15(17)20(29)28(22)25-19-16-12-14(23)6-7-18(16)27(21(19)30)13-26-8-10-31-11-9-26/h2-7,12H,8-11,13H2,1H3/b25-19-"	CSC1=NC2=CC=CC=C2C(=O)N1/N=C\\3/C4=C(C=CC(=C4)Cl)N(C3=O)CN5CCOCC5	PGASGTXWCBXNQD-PLRJNAJWSA-N
DG64249	NSC710111	9572280	"7-[4-[[(3Z)-3-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]imino-5-chloro-2-oxo-indolin-1-yl]methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid; NSC710111; CHEMBL1096332; NSC-710111; 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-{[N4-5'-chloro-3'(2 trimethoprimimino)-1'- isatino)methyl] N'-piperazinyl}-3-quinoline carboxylic acid; 7-[4-[[(3Z)-3-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]imino-5-chloro-2-oxo-indolin-1-yl]methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710111	.	.	.	.	785.2	C39H38ClFN8O7	176	1490	3.4	56	2	15	11	"InChI=1S/C39H38ClFN8O7/c1-5-47-19-26(38(52)53)34(50)25-16-27(41)30(17-29(25)47)48-10-8-46(9-11-48)20-49-28-7-6-23(40)15-24(28)33(37(49)51)44-39-43-18-22(36(42)45-39)12-21-13-31(54-2)35(56-4)32(14-21)55-3/h6-7,13-19H,5,8-12,20H2,1-4H3,(H,52,53)(H2,42,43,45)/b44-33-"	CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CN4C5=C(C=C(C=C5)Cl)/C(=N/C6=NC=C(C(=N6)N)CC7=CC(=C(C(=C7)OC)OC)OC)/C4=O)F)C(=O)O	NHAYDCQKWSASQT-SWYSEXKRSA-N
DG64250	"2-acetyl-5-phenyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,2,4-triazol-3-one"	9572282	NSC710181; CHEMBL1980293; NSC-710181	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710181	.	.	.	.	396.4	C20H20N4O5	93	647	2.5	29	0	7	6	"InChI=1S/C20H20N4O5/c1-13(25)23-20(26)24(19(22-23)15-8-6-5-7-9-15)21-12-14-10-16(27-2)18(29-4)17(11-14)28-3/h5-12H,1-4H3/b21-12+"	CC(=O)N1C(=O)N(C(=N1)C2=CC=CC=C2)/N=C/C3=CC(=C(C(=C3)OC)OC)OC	NMDHLFFHLRIBAM-CIAFOILYSA-N
DG64251	NSC710336	9572290	"dimethyl 1-[(Z)-[[(Z)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]sulfanyl-(4-methylphenyl)methylidene]amino]-2-(4-methylphenyl)pyrrole-3,4-dicarboxylate; NSC710336; CHEMBL1972420; NSC-710336"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710336	.	.	.	.	564.6	C29H28N2O8S	148	983	5.5	40	0	10	13	"InChI=1S/C29H28N2O8S/c1-17-7-11-19(12-8-17)25-24(29(35)39-6)21(27(33)37-4)16-31(25)30-26(20-13-9-18(2)10-14-20)40-22(28(34)38-5)15-23(32)36-3/h7-16H,1-6H3/b22-15-,30-26-"	CC1=CC=C(C=C1)C2=C(C(=CN2/N=C(/C3=CC=C(C=C3)C)\\S/C(=C\\C(=O)OC)/C(=O)OC)C(=O)OC)C(=O)OC	USLIIUZNBRDMEM-HXDMXOOOSA-N
DG64252	"N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-1,3-benzothiazole-2-carboxamide"	9572291	NSC710359; CHEMBL1990837; NSC-710359	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710359	.	.	.	.	297.34	C14H11N5OS	122	416	2.3	21	2	5	3	"InChI=1S/C14H11N5OS/c15-12(10-6-3-4-8-16-10)18-19-13(20)14-17-9-5-1-2-7-11(9)21-14/h1-8H,(H2,15,18)(H,19,20)"	C1=CC=C2C(=C1)N=C(S2)C(=O)N/N=C(/C3=CC=CC=N3)\\N	OXCNPSRJNIOXPR-UHFFFAOYSA-N
DG64253	2-[(E)-benzylideneamino]-4-methyl-4-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)amino]-5-phenylpyrazol-3-one	9572292	NSC710374; CHEMBL1990310; NSC-710374	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710374	.	.	.	.	448.5	C27H24N6O	85.7	765	5.7	34	2	5	6	"InChI=1S/C27H24N6O/c1-19-23(21-14-8-4-9-15-21)30-31-25(19)29-27(2)24(22-16-10-5-11-17-22)32-33(26(27)34)28-18-20-12-6-3-7-13-20/h3-18H,1-2H3,(H2,29,30,31)/b28-18+"	CC1=C(NN=C1NC2(C(=NN(C2=O)/N=C/C3=CC=CC=C3)C4=CC=CC=C4)C)C5=CC=CC=C5	AJTQOKLLMRRUHR-MTDXEUNCSA-N
DG64254	"2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide"	9572297	NSC710441; CHEMBL1967956; NSC-710441	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710441	.	.	.	.	517.6	C26H23N5O5S	160	759	5	37	2	8	9	"InChI=1S/C26H23N5O5S/c1-35-21-11-5-18(6-12-21)24-25(19-7-13-22(36-2)14-8-19)29-26(28-24)37-16-23(32)30-27-15-17-3-9-20(10-4-17)31(33)34/h3-15H,16H2,1-2H3,(H,28,29)(H,30,32)/b27-15+"	COC1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC	CHGFMAJACQYKOR-JFLMPSFJSA-N
DG64255	"1-N,4-N-bis[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzene-1,4-dicarboxamide"	9572304	NSC710904; CHEMBL1964633; NSC-710904	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710904	.	.	.	.	492.4	C22H16N6O8	201	843	3.1	36	2	10	8	"InChI=1S/C22H16N6O8/c29-21(25-23-13-1-3-17-9-11-19(35-17)27(31)32)15-5-7-16(8-6-15)22(30)26-24-14-2-4-18-10-12-20(36-18)28(33)34/h1-14H,(H,25,29)(H,26,30)/b3-1+,4-2+,23-13+,24-14+"	C1=CC(=CC=C1C(=O)N/N=C/C=C/C2=CC=C(O2)[N+](=O)[O-])C(=O)N/N=C/C=C/C3=CC=C(O3)[N+](=O)[O-]	YNZMEJUCGATQOO-OMUNZOLNSA-N
DG64256	"1-N,4-N-bis[(E)-(5-nitrofuran-2-yl)methylideneamino]benzene-1,4-dicarboxamide"	9572305	NSC710905; CHEMBL1996112; AKOS003888175; NSC-710905	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710905	.	.	.	.	440.3	C18H12N6O8	201	706	2.9	32	2	10	6	"InChI=1S/C18H12N6O8/c25-17(21-19-9-13-5-7-15(31-13)23(27)28)11-1-2-12(4-3-11)18(26)22-20-10-14-6-8-16(32-14)24(29)30/h1-10H,(H,21,25)(H,22,26)/b19-9+,20-10+"	C1=CC(=CC=C1C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])C(=O)N/N=C/C3=CC=C(O3)[N+](=O)[O-]	CWRZLLPKFXJVOW-LQGKIZFRSA-N
DG64257	2-{(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl}-1H-benzimidazole	9572306	NSC710916; CHEMBL1978582; STL257912; AKOS002783841; NSC-710916; 2-{(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl}-1H-benzimidazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710916	.	.	.	.	271.23	C12H9N5O3	112	386	3	20	2	6	3	"InChI=1S/C12H9N5O3/c18-17(19)11-6-5-8(20-11)7-13-16-12-14-9-3-1-2-4-10(9)15-12/h1-7H,(H2,14,15,16)/b13-7+"	C1=CC=C2C(=C1)NC(=N2)N/N=C/C3=CC=C(O3)[N+](=O)[O-]	NYANUJCLKSCNMT-NTUHNPAUSA-N
DG64258	"N,N'-bis[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide"	9572307	NSC710917; CHEMBL1970456; NSC-710917	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710917	.	.	.	.	416.3	C16H12N6O8	201	705	1.9	30	2	10	6	"InChI=1S/C16H12N6O8/c23-15(19-17-9-1-3-11-5-7-13(29-11)21(25)26)16(24)20-18-10-2-4-12-6-8-14(30-12)22(27)28/h1-10H,(H,19,23)(H,20,24)/b3-1+,4-2+,17-9-,18-10-"	C1=C(OC(=C1)[N+](=O)[O-])/C=C/C=N\\NC(=O)C(=O)N/N=C\\C=C\\C2=CC=C(O2)[N+](=O)[O-]	PEJCPYNDRBAGFF-BOCWCJRTSA-N
DG64259	(5Z)-3-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one	9572330	NSC711898; CHEMBL2003047; NSC-711898	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711898	.	.	.	.	454.9	C26H19ClN4O2	71.1	806	5.8	33	0	5	5	"InChI=1S/C26H19ClN4O2/c1-17-9-11-22-19(14-17)15-20(24(27)29-22)16-28-31-25(18-6-3-2-4-7-18)30-23(26(31)32)12-10-21-8-5-13-33-21/h2-9,11-16H,10H2,1H3/b23-12-,28-16+"	CC1=CC2=CC(=C(N=C2C=C1)Cl)/C=N/N3C(=N/C(=C\\CC4=CC=CO4)/C3=O)C5=CC=CC=C5	XQWLDCZERNDJGU-HLVUAULZSA-N
DG64260	(5Z)-3-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one	9572334	NSC711902; CHEMBL1994917; NSC-711902	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711902	.	.	.	.	483	C27H19ClN4OS	58.9	839	6.5	34	1	5	4	"InChI=1S/C27H19ClN4OS/c1-17-11-12-22-20(13-17)14-21(25(28)30-22)16-29-32-26(18-7-3-2-4-8-18)31-23(27(32)33)15-19-9-5-6-10-24(19)34/h2-16,34H,1H3/b23-15-,29-16+"	CC1=CC2=CC(=C(N=C2C=C1)Cl)/C=N/N3C(=N/C(=C\\C4=CC=CC=C4S)/C3=O)C5=CC=CC=C5	NNWGRVIPRWMCEO-KWOCPRBISA-N
DG64261	"N-Allyl-2-[(E)-hydroxyimino]-3-(2-hydroxy-3,5-dibromo-4-methoxyphenyl)propanamide"	9572344	"NSC712304; CHEMBL1993680; NSC-712304; N-Allyl-2-[(E)-hydroxyimino]-3-(2-hydroxy-3,5-dibromo-4-methoxyphenyl)propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712304	.	.	.	.	422.07	C13H14Br2N2O4	91.2	406	3.5	21	3	5	6	"InChI=1S/C13H14Br2N2O4/c1-3-4-16-13(19)9(17-20)6-7-5-8(14)12(21-2)10(15)11(7)18/h3,5,18,20H,1,4,6H2,2H3,(H,16,19)/b17-9-"	COC1=C(C=C(C(=C1Br)O)C/C(=N/O)/C(=O)NCC=C)Br	ANPKNZZDEYWXSS-MFOYZWKCSA-N
DG64262	2-[4-[(2Z)-2-(2-oxooxolan-3-ylidene)hydrazinyl]phenyl]sulfonylguanidine	9572347	NSC712430; CHEMBL1966988; NSC-712430	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712430	.	.	.	.	311.32	C11H13N5O4S	158	554	-0.1	21	3	7	4	"InChI=1S/C11H13N5O4S/c12-11(13)16-21(18,19)8-3-1-7(2-4-8)14-15-9-5-6-20-10(9)17/h1-4,14H,5-6H2,(H4,12,13,16)/b15-9-"	C\\1COC(=O)/C1=N\\NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N	LOLNFYQUHDUQSL-DHDCSXOGSA-N
DG64263	NSC713023	9572352	[(Z)-N-(4-chloro-5-methyl-2-sulfanylphenyl)sulfonyl-C-[4-(dimethylamino)pyridin-1-ium-1-yl]carbonimidoyl]-(4-chlorophenyl)sulfonylazanide; NSC713023; NSC-713023	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713023	.	.	.	.	559.5	C21H20Cl2N4O4S3	107	921	5.1	34	1	8	7	"InChI=1S/C21H20Cl2N4O4S3/c1-14-12-20(19(32)13-18(14)23)34(30,31)25-21(27-10-8-16(9-11-27)26(2)3)24-33(28,29)17-6-4-15(22)5-7-17/h4-13H,1-3H3,(H-,24,25,32)"	CC1=CC(=C(C=C1Cl)S)S(=O)(=O)/N=C(\\[N-]S(=O)(=O)C2=CC=C(C=C2)Cl)/[N+]3=CC=C(C=C3)N(C)C	CVGRGQFASLXFMO-UHFFFAOYSA-N
DG64264	[(Z)-N-(4-chloro-5-methyl-2-sulfanylphenyl)sulfonyl-C-(triethylazaniumyl)carbonimidoyl]-(4-chlorophenyl)sulfonylazanide	9572355	NSC713026; CHEMBL2006584; NSC-713026	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713026	.	.	.	.	538.5	C20H25Cl2N3O4S3	99.4	851	5.3	32	1	7	9	"InChI=1S/C20H25Cl2N3O4S3/c1-5-25(6-2,7-3)20(23-31(26,27)16-10-8-15(21)9-11-16)24-32(28,29)19-12-14(4)17(22)13-18(19)30/h8-13H,5-7H2,1-4H3,(H-,23,24,30)"	CC[N+](CC)(CC)/C(=N/S(=O)(=O)C1=C(C=C(C(=C1)C)Cl)S)/[N-]S(=O)(=O)C2=CC=C(C=C2)Cl	KTIIHSILGYTEHA-UHFFFAOYSA-N
DG64265	methyl (2E)-2-(methylsulfanylcarbothioylhydrazinylidene)propanoate	9572357	NSC713064; CHEMBL1980176; NSC-713064	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713064	.	.	.	.	206.3	C6H10N2O2S2	108	216	1.9	12	1	5	4	"InChI=1S/C6H10N2O2S2/c1-4(5(9)10-2)7-8-6(11)12-3/h1-3H3,(H,8,11)/b7-4+"	C/C(=N\\NC(=S)SC)/C(=O)OC	CMWLZXFGUQHLHR-QPJJXVBHSA-N
DG64266	NSC713290	9572360	"2-[(3-chloro-4-fluoroanilino)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1,2,4-triazole-3-thione; NSC713290; CHEMBL1975001; NSC-713290"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713290	.	.	.	.	510.8	C21H15Cl3FN5OS	88.5	746	6.6	32	1	6	6	"InChI=1S/C21H15Cl3FN5OS/c1-12-28-29(11-26-14-3-6-19(25)18(24)9-14)21(32)30(12)27-10-15-4-7-20(31-15)16-5-2-13(22)8-17(16)23/h2-10,26H,11H2,1H3/b27-10+"	CC1=NN(C(=S)N1/N=C/C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)CNC4=CC(=C(C=C4)F)Cl	LRVMMGGOHGFILZ-YPXUMCKCSA-N
DG64267	"4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione"	9572366	NSC713296; CHEMBL1994560; NSC-713296	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713296	.	.	.	.	527.5	C25H24Cl2N6OS	82.9	801	5.7	35	0	6	6	"InChI=1S/C25H24Cl2N6OS/c1-30-11-13-31(14-12-30)17-32-25(35)33(24(29-32)18-5-3-2-4-6-18)28-16-20-8-10-23(34-20)21-9-7-19(26)15-22(21)27/h2-10,15-16H,11-14,17H2,1H3/b28-16+"	CN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)/N=C/C4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl	PTXZTKDVPNPMOG-LQKURTRISA-N
DG64268	NSC713298	9572368	"5-[(4-chlorophenoxy)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione; NSC713298; CHEMBL1982507; NSC-713298"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713298	.	.	.	.	591.9	C26H25Cl3N6O2S	92.1	868	6.4	38	0	7	8	"InChI=1S/C26H25Cl3N6O2S/c1-32-10-12-33(13-11-32)17-34-26(38)35(25(31-34)16-36-20-5-2-18(27)3-6-20)30-15-21-7-9-24(37-21)22-8-4-19(28)14-23(22)29/h2-9,14-15H,10-13,16-17H2,1H3/b30-15+"	CN1CCN(CC1)CN2C(=S)N(C(=N2)COC3=CC=C(C=C3)Cl)/N=C/C4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl	ZLGUDHXWPMHDTE-FJEPWZHXSA-N
DG64269	"(E,4Z)-N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-imine"	9572374	NSC713649; CHEMBL1982213; NSC-713649	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713649	.	.	.	.	455	C26H19ClN4S	69.1	785	7.3	32	0	4	4	"InChI=1S/C26H19ClN4S/c1-18-22(14-7-11-19-9-3-2-4-10-19)25(31(30-18)21-13-8-12-20(27)17-21)29-26-28-23-15-5-6-16-24(23)32-26/h2-17H,1H3/b11-7+,22-14-,29-25+"	CC\\1=NN(/C(=N/C2=NC3=CC=CC=C3S2)/C1=C\\C=C\\C4=CC=CC=C4)C5=CC(=CC=C5)Cl	CKNPWBDTMZUQJU-RYNKFETMSA-N
DG64270	NSC713831	9572381	"(3S,10R,13S,16E,17E)-16-[(3,4-dimethoxyphenyl)methylidene]-17-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol; NSC713831; CHEMBL1977573; NSC-713831"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713831	.	.	.	.	451.6	C28H37NO4	71.3	849	5.3	33	2	5	3	"InChI=1S/C28H37NO4/c1-27-11-9-20(30)16-19(27)6-7-21-22(27)10-12-28(2)23(21)15-18(26(28)29-31)13-17-5-8-24(32-3)25(14-17)33-4/h5-6,8,13-14,20-23,30-31H,7,9-12,15-16H2,1-4H3/b18-13+,29-26+/t20-,21 ,22 ,23 ,27-,28-/m0/s1"	C[C@]12CC[C@@H](CC1=CCC3C2CC[C@]\\4(C3C/C(=C\\C5=CC(=C(C=C5)OC)OC)/C4=N\\O)C)O	SQVIPVHRFBDAFK-LWHFHLNYSA-N
DG64271	NSC714121	9572384	"[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] (S)-2,4,6-trimethylbenzenesulfinate; NSC714121; CHEMBL1982764; NSC-714121"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714121	.	.	.	.	426.5	C21H30O7S	91.7	627	3	29	0	8	4	"InChI=1S/C21H30O7S/c1-11-8-12(2)18(13(3)9-11)29(22)28-16-15(14-10-23-20(4,5)25-14)24-19-17(16)26-21(6,7)27-19/h8-9,14-17,19H,10H2,1-7H3/t14-,15-,16+,17-,19-,29+/m1/s1"	CC1=CC(=C(C(=C1)C)[S@@](=O)O[C@H]2[C@H](O[C@H]3[C@@H]2OC(O3)(C)C)[C@H]4COC(O4)(C)C)C	FIQAIBUCIBDYRD-CVONMXRASA-N
DG64272	2-Phenyl-4-oxo-4H-1-benzopyran-6-carbaldehyde O-ethyloxime	9572386	"NSC715142; CHEMBL2002234; NSC-715142; 4H-1-Benzopyran-6-carboxaldehyde, 6-[O-(ethyl)oxime]; 2-Phenyl-4-oxo-4H-1-benzopyran-6-carbaldehyde O-ethyloxime; 4H-1-Benzopyran-4-one,6-[[(ethoxy)imino]methyl]-2-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715142	.	.	.	.	293.3	C18H15NO3	47.9	451	4.4	22	0	4	4	"InChI=1S/C18H15NO3/c1-2-21-19-12-13-8-9-17-15(10-13)16(20)11-18(22-17)14-6-4-3-5-7-14/h3-12H,2H2,1H3/b19-12-"	CCO/N=C\\C1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3	MUXBPGNSFGGFPI-UNOMPAQXSA-N
DG64273	"1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2-chlorophenyl)urea"	9572409	NSC715192; CHEMBL2006984; NSC-715192	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715192	.	.	.	.	317.72	C15H12ClN3O3	72	421	3	22	2	4	3	"InChI=1S/C15H12ClN3O3/c16-11-3-1-2-4-12(11)18-15(20)19-17-8-10-5-6-13-14(7-10)22-9-21-13/h1-8H,9H2,(H2,18,19,20)/b17-8+"	C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)NC3=CC=CC=C3Cl	NQEHPFRGTXEVFX-CAOOACKPSA-N
DG64274	"N,N-dimethyl-4-[(E)-(5-methyl-2-phenylpyrazol-3-yl)iminomethyl]aniline"	9572411	NSC715227; CHEMBL1987946; AKOS024385193; NSC-715227	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715227	.	.	.	.	304.4	C19H20N4	33.4	381	4	23	0	3	4	"InChI=1S/C19H20N4/c1-15-13-19(23(21-15)18-7-5-4-6-8-18)20-14-16-9-11-17(12-10-16)22(2)3/h4-14H,1-3H3/b20-14+"	CC1=NN(C(=C1)/N=C/C2=CC=C(C=C2)N(C)C)C3=CC=CC=C3	FPYFASSPUICUGK-XSFVSMFZSA-N
DG64275	methyl 4-[(E)-(5-methyl-2-phenylpyrazol-3-yl)iminomethyl]benzoate	9572413	NSC715229; CHEMBL1992543; NSC-715229	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715229	.	.	.	.	319.4	C19H17N3O2	56.5	440	3.8	24	0	4	5	"InChI=1S/C19H17N3O2/c1-14-12-18(22(21-14)17-6-4-3-5-7-17)20-13-15-8-10-16(11-9-15)19(23)24-2/h3-13H,1-2H3/b20-13+"	CC1=NN(C(=C1)/N=C/C2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3	HKFLGFZCYVFDIQ-DEDYPNTBSA-N
DG64276	ethyl (1E)-N-[2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]methanehydrazonate	9572421	NSC715715; CHEMBL1968352; NSC-715715	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715715	.	.	.	.	522.4	C20H19IN4O3S	109	639	4.1	29	1	6	8	"InChI=1S/C20H19IN4O3S/c1-2-28-13-22-24-18(26)12-29-20-23-17-9-8-15(21)10-16(17)19(27)25(20)11-14-6-4-3-5-7-14/h3-10,13H,2,11-12H2,1H3,(H,24,26)/b22-13+"	CCO/C=N/NC(=O)CSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3	JBMXSOPAIYYZKI-LPYMAVHISA-N
DG64277	N-[(E)-benzylideneamino]-2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide	9572422	NSC715740; CHEMBL1987045; NSC-715740	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715740	.	.	.	.	554.4	C24H19IN4O2S	99.4	719	4.9	32	1	5	7	"InChI=1S/C24H19IN4O2S/c25-19-11-12-21-20(13-19)23(31)29(15-18-9-5-2-6-10-18)24(27-21)32-16-22(30)28-26-14-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,28,30)/b26-14+"	C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)N/N=C/C4=CC=CC=C4	COZVAAPKIUAPPE-VULFUBBASA-N
DG64278	NSC716002	9572423	"1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[methoxy(methyl)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione; NSC716002; CHEMBL1991366; NSC-716002"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716002	.	.	.	.	652.7	C33H37N2O8PS	137	1080	5.3	45	1	9	12	"InChI=1S/C33H37N2O8PS/c1-22-20-35(32(37)34-31(22)36)30-19-28(43-44(5,45)40-4)29(42-30)21-41-33(23-9-7-6-8-10-23,24-11-15-26(38-2)16-12-24)25-13-17-27(39-3)18-14-25/h6-18,20,28-30H,19,21H2,1-5H3,(H,34,36,37)/t28-,29+,30+,44+/m0/s1"	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O[P@@](=S)(C)OC	GNXXDTSYDREFSR-KFEFBBAKSA-N
DG64279	"2-(6-benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide"	9572426	NSC716125; CHEMBL1976688; NSC-716125	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716125	.	.	.	.	616.7	C28H15Cl5N4O2	87.2	897	8.5	39	2	4	6	"InChI=1S/C28H15Cl5N4O2/c29-17-9-6-14(7-10-17)13-34-37-28(39)21-20(22(30)24(32)25(33)23(21)31)27-35-18-11-8-16(12-19(18)36-27)26(38)15-4-2-1-3-5-15/h1-13H,(H,35,36)(H,37,39)/b34-13+"	C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)N/N=C/C5=CC=C(C=C5)Cl	UUCNFXPTEGQNOG-RPUDKEGQSA-N
DG64280	"4-acetamido-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide"	9572428	NSC716142; CHEMBL1971769; NSC-716142	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716142	.	.	.	.	380.2	C17H15Cl2N3O3	79.8	504	3.2	25	2	4	5	"InChI=1S/C17H15Cl2N3O3/c1-10(23)21-13-5-6-14(16(8-13)25-2)17(24)22-20-9-11-3-4-12(18)7-15(11)19/h3-9H,1-2H3,(H,21,23)(H,22,24)/b20-9+"	CC(=O)NC1=CC(=C(C=C1)C(=O)N/N=C/C2=C(C=C(C=C2)Cl)Cl)OC	WFHPCMCVSQHXJU-AWQFTUOYSA-N
DG64281	"N-[(E)-furan-2-ylmethylideneamino]-2-hydroxy-3,5-diiodobenzamide"	9572431	NSC716156; CHEMBL1965008; NSC-716156	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716156	.	.	.	.	482.01	C12H8I2N2O3	74.8	354	3.7	19	2	4	3	"InChI=1S/C12H8I2N2O3/c13-7-4-9(11(17)10(14)5-7)12(18)16-15-6-8-2-1-3-19-8/h1-6,17H,(H,16,18)/b15-6+"	C1=COC(=C1)/C=N/NC(=O)C2=C(C(=CC(=C2)I)I)O	IJOVHVFASZRTMF-GIDUJCDVSA-N
DG64282	(E)-1-phenyl-N-(5-phenylsulfanyl-1H-indol-2-yl)methanimine	9572432	NSC716167; CHEMBL2005979; NSC-716167	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716167	.	.	.	.	328.4	C21H16N2S	53.4	412	5.8	24	1	2	4	"InChI=1S/C21H16N2S/c1-3-7-16(8-4-1)15-22-21-14-17-13-19(11-12-20(17)23-21)24-18-9-5-2-6-10-18/h1-15,23H/b22-15+"	C1=CC=C(C=C1)/C=N/C2=CC3=C(N2)C=CC(=C3)SC4=CC=CC=C4	UMEOQAFFXDDTCT-PXLXIMEGSA-N
DG64283	(E)-1-(furan-2-yl)-N-(5-propylsulfanyl-1H-indol-2-yl)methanimine	9572435	NSC716175; CHEMBL1975362; NSC-716175	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716175	.	.	.	.	284.4	C16H16N2OS	66.6	336	4.5	20	1	3	5	"InChI=1S/C16H16N2OS/c1-2-8-20-14-5-6-15-12(9-14)10-16(18-15)17-11-13-4-3-7-19-13/h3-7,9-11,18H,2,8H2,1H3/b17-11+"	CCCSC1=CC2=C(C=C1)NC(=C2)/N=C/C3=CC=CO3	XXJZMLLUAMMNPN-GZTJUZNOSA-N
DG64284	"N-[2,5-dimethoxy-4-[[(E)-[(E)-3-phenylprop-2-enylidene]amino]sulfamoyl]phenyl]acetamide"	9572438	NSC716178; CHEMBL1984081; NSC-716178	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716178	.	.	.	.	403.5	C19H21N3O5S	115	653	2.1	28	2	7	8	"InChI=1S/C19H21N3O5S/c1-14(23)21-16-12-18(27-3)19(13-17(16)26-2)28(24,25)22-20-11-7-10-15-8-5-4-6-9-15/h4-13,22H,1-3H3,(H,21,23)/b10-7+,20-11+"	CC(=O)NC1=CC(=C(C=C1OC)S(=O)(=O)N/N=C/C=C/C2=CC=CC=C2)OC	ZXILGYZDVQAFMR-OZNFINNBSA-N
DG64285	1-(2-methoxy-5-methylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea	9572440	NSC716181; CHEMBL1984616; NSC-716181	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716181	.	.	.	.	329.4	C17H19N3O2S	87	397	3.5	23	2	4	5	"InChI=1S/C17H19N3O2S/c1-12-4-9-16(22-3)15(10-12)19-17(23)20-18-11-13-5-7-14(21-2)8-6-13/h4-11H,1-3H3,(H2,19,20,23)/b18-11+"	CC1=CC(=C(C=C1)OC)NC(=S)N/N=C/C2=CC=C(C=C2)OC	MWXCSPXTLQOAJT-WOJGMQOQSA-N
DG64286	1-[(E)-furan-2-ylmethylideneamino]-3-(2-methoxy-5-methylphenyl)thiourea	9572441	NSC716182; CHEMBL1998109; NSC-716182	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716182	.	.	.	.	289.35	C14H15N3O2S	90.9	351	2.9	20	2	4	4	"InChI=1S/C14H15N3O2S/c1-10-5-6-13(18-2)12(8-10)16-14(20)17-15-9-11-4-3-7-19-11/h3-9H,1-2H3,(H2,16,17,20)/b15-9+"	CC1=CC(=C(C=C1)OC)NC(=S)N/N=C/C2=CC=CO2	PIBRNLZLSMHZDL-OQLLNIDSSA-N
DG64287	NSC716258	9572442	"[(3S,8R,9S,10R,13S,14S,16E,17E)-16-[(3,4-dimethoxyphenyl)methylidene]-17-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; NSC716258; CHEMBL1975648; NSC-716258"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716258	.	.	.	.	493.6	C30H39NO5	77.4	955	5.9	36	1	6	5	"InChI=1S/C30H39NO5/c1-18(32)36-22-10-12-29(2)21(17-22)7-8-23-24(29)11-13-30(3)25(23)16-20(28(30)31-33)14-19-6-9-26(34-4)27(15-19)35-5/h6-7,9,14-15,22-25,33H,8,10-13,16-17H2,1-5H3/b20-14+,31-28+/t22-,23+,24-,25-,29-,30-/m0/s1"	CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]\\4([C@H]([C@@H]3CC=C2C1)C/C(=C\\C5=CC(=C(C=C5)OC)OC)/C4=N\\O)C)C	VGDMOUVTAYOVRG-ZQCDUPHKSA-N
DG64288	NSC716260	9572443	"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-16-[(3,4-dimethoxyphenyl)methylidene]-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine; NSC716260; CHEMBL1978185; NSC-716260"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716260	.	.	.	.	464.6	C28H36N2O4	83.6	923	5.5	34	2	6	3	"InChI=1S/C28H36N2O4/c1-27-11-9-20(29-31)16-19(27)6-7-21-22(27)10-12-28(2)23(21)15-18(26(28)30-32)13-17-5-8-24(33-3)25(14-17)34-4/h5,8,13-14,16,21-23,31-32H,6-7,9-12,15H2,1-4H3/b18-13+,29-20+,30-26+/t21-,22+,23+,27+,28+/m1/s1"	C[C@]12CC/C(=N\\O)/C=C1CC[C@@H]3[C@@H]2CC[C@]\\4([C@H]3C/C(=C\\C5=CC(=C(C=C5)OC)OC)/C4=N\\O)C	TXTMCSYQNDSQST-MBHGGMOTSA-N
DG64289	NSC716262	9572444	"(3S,8R,9S,10R,13S,14S,16E,17E)-17-hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol; NSC716262; CHEMBL1988365; NSC-716262"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716262	.	.	.	.	436.5	C26H32N2O4	98.6	866	5.2	32	2	5	1	"InChI=1S/C26H32N2O4/c1-25-11-9-20(29)15-18(25)5-8-21-22(25)10-12-26(2)23(21)14-17(24(26)27-30)13-16-3-6-19(7-4-16)28(31)32/h3-7,13,20-23,29-30H,8-12,14-15H2,1-2H3/b17-13+,27-24+/t20-,21+,22-,23-,25-,26-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]\\4([C@H]3C/C(=C\\C5=CC=C(C=C5)[N+](=O)[O-])/C4=N\\O)C)O	XBRLAACNYRXSOQ-GRCUBCSMSA-N
DG64290	"N-[4-[2-[(Z)-benzylideneamino]-1,3-thiazol-4-yl]phenyl]-4-chloro-3-methoxybenzenesulfonamide"	9572445	NSC716293; CHEMBL1972923; NSC-716293	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716293	.	.	.	.	484	C23H18ClN3O3S2	117	719	5.4	32	1	7	7	"InChI=1S/C23H18ClN3O3S2/c1-30-22-13-19(11-12-20(22)24)32(28,29)27-18-9-7-17(8-10-18)21-15-31-23(26-21)25-14-16-5-3-2-4-6-16/h2-15,27H,1H3/b25-14-"	COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)/N=C\\C4=CC=CC=C4)Cl	LSIKWRWKBBATLB-QFEZKATASA-N
DG64291	"4-chloro-3-methoxy-N-[4-[2-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	9572447	NSC716297; CHEMBL1985858; NSC-716297	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716297	.	.	.	.	576.1	C29H22ClN3O4S2	127	890	6.9	39	1	8	9	"InChI=1S/C29H22ClN3O4S2/c1-36-28-17-25(14-15-26(28)30)39(34,35)33-22-12-10-21(11-13-22)27-19-38-29(32-27)31-18-20-6-5-9-24(16-20)37-23-7-3-2-4-8-23/h2-19,33H,1H3/b31-18-"	COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)/N=C\\C4=CC(=CC=C4)OC5=CC=CC=C5)Cl	LFRNVADZSXHLHC-MNBJERMJSA-N
DG64292	"4-chloro-3-methoxy-N-[4-[2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	9572448	NSC716298; CHEMBL1990122; NSC-716298	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716298	.	.	.	.	510	C25H20ClN3O3S2	117	790	5.8	34	1	7	8	"InChI=1S/C25H20ClN3O3S2/c1-32-24-16-21(13-14-22(24)26)34(30,31)29-20-11-9-19(10-12-20)23-17-33-25(28-23)27-15-5-8-18-6-3-2-4-7-18/h2-17,29H,1H3/b8-5+,27-15-"	COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)/N=C\\C=C\\C4=CC=CC=C4)Cl	DCJAXHQQRKVNAT-VPCCHDSYSA-N
DG64293	"2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide"	9572449	NSC716339; CHEMBL1999917; NSC-716339	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716339	.	.	.	.	512.6	C21H11Cl5N4O	70.1	662	7.2	31	2	3	4	"InChI=1S/C21H11Cl5N4O/c22-11-7-5-10(6-8-11)9-27-30-21(31)15-14(16(23)18(25)19(26)17(15)24)20-28-12-3-1-2-4-13(12)29-20/h1-9H,(H,28,29)(H,30,31)/b27-9+"	C1=CC=C2C(=C1)NC(=N2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)N/N=C/C4=CC=C(C=C4)Cl	UOIFDDNRANCICK-OXUBWTJQSA-N
DG64294	NSC716564	9572454	"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-16-[(4-methoxyphenyl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine; NSC716564; CHEMBL1979118; NSC-716564"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716564	.	.	.	.	434.6	C27H34N2O3	74.4	866	5.6	32	2	5	2	"InChI=1S/C27H34N2O3/c1-26-12-10-20(28-30)16-19(26)6-9-22-23(26)11-13-27(2)24(22)15-18(25(27)29-31)14-17-4-7-21(32-3)8-5-17/h4-5,7-8,14,16,22-24,30-31H,6,9-13,15H2,1-3H3/b18-14+,28-20+,29-25+/t22-,23+,24+,26+,27+/m1/s1"	C[C@]12CC/C(=N\\O)/C=C1CC[C@@H]3[C@@H]2CC[C@]\\4([C@H]3C/C(=C\\C5=CC=C(C=C5)OC)/C4=N\\O)C	NWZJBNJSYJRIAZ-VKVNZMKESA-N
DG64295	"N-[(E)-benzylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide"	9572470	NSC716803; CHEMBL2000147; NSC-716803	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716803	.	.	.	.	355.4	C16H13N5OS2	134	431	2.8	24	1	7	6	"InChI=1S/C16H13N5OS2/c22-14(19-18-10-12-6-2-1-3-7-12)11-23-16-21-20-15(24-16)13-8-4-5-9-17-13/h1-10H,11H2,(H,19,22)/b18-10+"	C1=CC=C(C=C1)/C=N/NC(=O)CSC2=NN=C(S2)C3=CC=CC=N3	OINNYWWMTYBGMS-VCHYOVAHSA-N
DG64296	"N-[(E)-(4-nitrophenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide"	9572471	NSC716804; CHEMBL1976203; NSC-716804	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716804	.	.	.	.	400.4	C16H12N6O3S2	180	539	2.6	27	1	9	6	"InChI=1S/C16H12N6O3S2/c23-14(19-18-9-11-4-6-12(7-5-11)22(24)25)10-26-16-21-20-15(27-16)13-3-1-2-8-17-13/h1-9H,10H2,(H,19,23)/b18-9+"	C1=CC=NC(=C1)C2=NN=C(S2)SCC(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-]	FZVGBZMKMOTWTQ-GIJQJNRQSA-N
DG64297	N'-{3-nitro-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]benzylidene}octanohydrazide	9572482	NSC717478; CHEMBL1964515; STK673269; AKOS001716040; MCULE-9959167974; NSC-717478; AG-205/36697008; N'-[(E)-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene]octanehydrazide; N'-{3-nitro-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]benzylidene}octanohydrazide; N'~1~-((E)-1-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)octanohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717478	.	.	.	.	403.5	C19H25N5O3S	130	528	4.5	28	1	6	10	"InChI=1S/C19H25N5O3S/c1-3-4-5-6-7-8-18(25)22-21-14-15-9-10-17(16(13-15)24(26)27)28-19-20-11-12-23(19)2/h9-14H,3-8H2,1-2H3,(H,22,25)/b21-14+"	CCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)SC2=NC=CN2C)[N+](=O)[O-]	QGMSIYWYHKUQCH-KGENOOAVSA-N
DG64298	"N'-{(E)-[4-(benzyloxy)phenyl]methylidene}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propanehydrazide"	9572485	"NSC717519; CHEMBL1994583; STK756286; AKOS001722146; MCULE-7588636423; NSC-717519; N'-{(E)-[4-(benzyloxy)phenyl]methylidene}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propanehydrazide; N'~1~-{(E)-1-[4-(benzyloxy)phenyl]methylidene}-2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]propanohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717519	.	.	.	.	420.5	C23H24N4O2S	102	537	4.7	30	1	6	8	"InChI=1S/C23H24N4O2S/c1-16-13-17(2)26-23(25-16)30-18(3)22(28)27-24-14-19-9-11-21(12-10-19)29-15-20-7-5-4-6-8-20/h4-14,18H,15H2,1-3H3,(H,27,28)/b24-14+"	CC1=CC(=NC(=N1)SC(C)C(=O)N/N=C/C2=CC=C(C=C2)OCC3=CC=CC=C3)C	VQXXVQALDYYTMQ-ZVHZXABRSA-N
DG64299	N-[(E)-(4-nitrophenyl)methylideneamino]phenazine-1-carboxamide	9572500	NSC718155; CHEMBL1992177; NSC-718155	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718155	.	.	.	.	371.3	C20H13N5O3	113	599	3.4	28	1	6	3	"InChI=1S/C20H13N5O3/c26-20(24-21-12-13-8-10-14(11-9-13)25(27)28)15-4-3-7-18-19(15)23-17-6-2-1-5-16(17)22-18/h1-12H,(H,24,26)/b21-12+"	C1=CC=C2C(=C1)N=C3C=CC=C(C3=N2)C(=O)N/N=C/C4=CC=C(C=C4)[N+](=O)[O-]	AMHFGXOHFJJBSJ-CIAFOILYSA-N
DG64300	"1-Phenazinecarboxylic acid, (phenylmethylene)hydrazide"	9572501	"NSC718156; CHEMBL1967985; NSC-718156; 1-Phenazinecarboxylic acid, (phenylmethylene)hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718156	.	.	.	.	326.4	C20H14N4O	67.2	488	3.5	25	1	4	3	"InChI=1S/C20H14N4O/c25-20(24-21-13-14-7-2-1-3-8-14)15-9-6-12-18-19(15)23-17-11-5-4-10-16(17)22-18/h1-13H,(H,24,25)/b21-13+"	C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=CC3=NC4=CC=CC=C4N=C32	NCDQQKMTJHWNED-FYJGNVAPSA-N
DG64301	NSC718182	9572505	"[(3S,8R,9S,10R,13S,14S,16E,17E)-17-hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; NSC718182; CHEMBL1994413; NSC-718182"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718182	.	.	.	.	478.6	C28H34N2O5	105	972	5.8	35	1	6	3	"InChI=1S/C28H34N2O5/c1-17(31)35-22-10-12-27(2)20(16-22)6-9-23-24(27)11-13-28(3)25(23)15-19(26(28)29-32)14-18-4-7-21(8-5-18)30(33)34/h4-8,14,22-25,32H,9-13,15-16H2,1-3H3/b19-14+,29-26+/t22-,23+,24-,25-,27-,28-/m0/s1"	CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]\\4([C@H]([C@@H]3CC=C2C1)C/C(=C\\C5=CC=C(C=C5)[N+](=O)[O-])/C4=N\\O)C)C	BSDBXUPFVLTTMJ-VGPXVDLESA-N
DG64302	NSC718183	9572506	"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine; NSC718183; CHEMBL1970477; NSC-718183"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718183	.	.	.	.	449.5	C26H31N3O4	111	940	5.4	33	2	6	1	"InChI=1S/C26H31N3O4/c1-25-11-9-19(27-30)15-18(25)5-8-21-22(25)10-12-26(2)23(21)14-17(24(26)28-31)13-16-3-6-20(7-4-16)29(32)33/h3-4,6-7,13,15,21-23,30-31H,5,8-12,14H2,1-2H3/b17-13+,27-19+,28-24+/t21-,22+,23+,25+,26+/m1/s1"	C[C@]12CC/C(=N\\O)/C=C1CC[C@@H]3[C@@H]2CC[C@]\\4([C@H]3C/C(=C\\C5=CC=C(C=C5)[N+](=O)[O-])/C4=N\\O)C	DESWPBOUGFADNV-MSABATKVSA-N
DG64303	NSC718185	9572507	"(3S,8R,9S,10R,13S,14S,16E,17E)-17-hydroxyimino-16-[(4-methoxyphenyl)methylidene]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol; NSC718185; CHEMBL1969039; NSC-718185"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718185	.	.	.	.	421.6	C27H35NO3	62	792	5.3	31	2	4	2	"InChI=1S/C27H35NO3/c1-26-12-10-20(29)16-19(26)6-9-22-23(26)11-13-27(2)24(22)15-18(25(27)28-30)14-17-4-7-21(31-3)8-5-17/h4-8,14,20,22-24,29-30H,9-13,15-16H2,1-3H3/b18-14+,28-25+/t20-,22+,23-,24-,26-,27-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]\\4([C@H]3C/C(=C\\C5=CC=C(C=C5)OC)/C4=N\\O)C)O	ATWMXNRCCIAGGO-YMVYNNDNSA-N
DG64304	NSC718810	9572510	"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-(pyridin-3-ylmethylidene)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine; NSC718810; CHEMBL1997640; NSC-718810"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718810	.	.	.	.	405.5	C25H31N3O2	78.1	828	4.5	30	2	5	1	"InChI=1S/C25H31N3O2/c1-24-9-7-19(27-29)14-18(24)5-6-20-21(24)8-10-25(2)22(20)13-17(23(25)28-30)12-16-4-3-11-26-15-16/h3-4,11-12,14-15,20-22,29-30H,5-10,13H2,1-2H3/b17-12+,27-19+,28-23+/t20-,21+,22+,24+,25+/m1/s1"	C[C@]12CC/C(=N\\O)/C=C1CC[C@@H]3[C@@H]2CC[C@]\\4([C@H]3C/C(=C\\C5=CN=CC=C5)/C4=N\\O)C	BROWXOPUZORSLX-IQBHFBCUSA-N
DG64305	"4-amino-3-phenyl-5[(1-phenyl-3,5-dimethylpyrazol-4-yl)methylidinehydrazinocarbonyl]thiazole-2(3H)-thione"	9572519	"NSC720054; CHEMBL1971170; NSC-720054; 4-amino-3-phenyl-5[(1-phenyl-3,5-dimethylpyrazol-4- yl)methylidinehydrazinocarbonyl]thiazole-2(3H)-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720054	.	.	.	.	448.6	C22H20N6OS2	146	744	4.6	31	2	6	5	"InChI=1S/C22H20N6OS2/c1-14-18(15(2)28(26-14)17-11-7-4-8-12-17)13-24-25-21(29)19-20(23)27(22(30)31-19)16-9-5-3-6-10-16/h3-13H,23H2,1-2H3,(H,25,29)/b24-13+"	CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N/NC(=O)C3=C(N(C(=S)S3)C4=CC=CC=C4)N	RDIMAXBLZJLZKT-ZMOGYAJESA-N
DG64306	"4-amino-3-(p-chlorophenyl)-5-[(1-phenyl-3,5-dimethylpyrazol-4-yl)methylidenehydrazinocarbonyl]thiazole-2(3H)-thione"	9572520	"NSC720055; CHEMBL1973078; NSC-720055; 4-amino-3-(p-chlorophenyl)-5-[(1-phenyl-3,5-dimethylpyrazol -4-yl)methylidenehydrazinocarbonyl]thiazole-2(3H)-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720055	.	.	.	.	483	C22H19ClN6OS2	146	778	5.2	32	2	6	5	"InChI=1S/C22H19ClN6OS2/c1-13-18(14(2)29(27-13)17-6-4-3-5-7-17)12-25-26-21(30)19-20(24)28(22(31)32-19)16-10-8-15(23)9-11-16/h3-12H,24H2,1-2H3,(H,26,30)/b25-12+"	CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N/NC(=O)C3=C(N(C(=S)S3)C4=CC=C(C=C4)Cl)N	FUHWKCDGKNQLHR-BRJLIKDPSA-N
DG64307	"5-(p-Chlorobenzylidene)-3-phenyl-2-[(1-phenyl-3,5-dimethylpyrazol-4-yl)methylidenehydrazono]thiazolidin-4-one"	9572522	"NSC720057; CHEMBL1999792; NSC-720057; 5-(p-chlorobenzylidene)-3-phenyl-2-[(1-phenyl-3,5- dimethylpyrazol-4-yl)methylidenehydrazono]thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720057	.	.	.	.	512	C28H22ClN5OS	88.2	858	7.2	36	0	5	5	"InChI=1S/C28H22ClN5OS/c1-19-25(20(2)34(32-19)24-11-7-4-8-12-24)18-30-31-28-33(23-9-5-3-6-10-23)27(35)26(36-28)17-21-13-15-22(29)16-14-21/h3-18H,1-2H3/b26-17-,30-18+,31-28-"	CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N/N=C\\3/N(C(=O)/C(=C/C4=CC=C(C=C4)Cl)/S3)C5=CC=CC=C5	CFANTLXTUQINTO-RCZXBRRHSA-N
DG64308	NSC720134	9572528	"2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-4,11-diphenyl-1,3,6,10-tetrazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-12-yl]methylideneamino]guanidine;hydrochloride; NSC720134; CHEMBL2007492; NSC-720134"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720134	.	.	.	.	515	C24H23ClN12	189	893	.	37	5	6	6	"InChI=1S/C24H22N12.ClH/c25-22(26)33-29-13-17-20(15-7-3-1-4-8-15)32-24-35(17)12-11-19-31-21(16-9-5-2-6-10-16)18(36(19)24)14-30-34-23(27)28;/h1-14H,(H4,25,26,33)(H4,27,28,34);1H/b29-13+,30-14+;"	C1=CC=C(C=C1)C2=C(N3C=CC4=NC(=C(N4C3=N2)/C=N/N=C(N)N)C5=CC=CC=C5)/C=N/N=C(N)N.Cl	JGDMDDPVJWCJJS-VHPMZGPXSA-N
DG64309	"2-[(E)-[2-chloro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	9572530	NSC-720135; CHEMBL1910625; NSC720135	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720135	.	.	.	.	400.2	C13H11Cl2N7O2S	168	531	.	25	3	6	3	"InChI=1S/C13H10ClN7O2S.ClH/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-1-3-8(4-2-7)21(22)23;/h1-6H,(H4,15,16,19);1H/b17-5+;"	C1=CC(=CC=C1C2=C(N3C=C(SC3=N2)Cl)/C=N/N=C(N)N)[N+](=O)[O-].Cl	ULUHQSBBWXVOGZ-YAKHFBBESA-N
DG64310	"2-[(E)-[2-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	9572534	NSC-720137; CHEMBL1910626; NSC720137	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720137	.	.	.	.	379.8	C14H14ClN7O2S	168	526	.	25	3	6	3	"InChI=1S/C14H13N7O2S.ClH/c1-8-7-20-11(6-17-19-13(15)16)12(18-14(20)24-8)9-2-4-10(5-3-9)21(22)23;/h2-7H,1H3,(H4,15,16,19);1H/b17-6+;"	CC1=CN2C(=C(N=C2S1)C3=CC=C(C=C3)[N+](=O)[O-])/C=N/N=C(N)N.Cl	IBUINFFXLYSXIK-ZDEOBDHWSA-N
DG64311	"2-[(E)-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	9572538	NSC720139; CHEMBL1987656; NSC-720139	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720139	.	.	.	.	379.8	C14H14ClN7O2S	168	534	.	25	3	6	3	"InChI=1S/C14H13N7O2S.ClH/c1-8-7-24-14-18-12(9-3-2-4-10(5-9)21(22)23)11(20(8)14)6-17-19-13(15)16;/h2-7H,1H3,(H4,15,16,19);1H/b17-6+;"	CC1=CSC2=NC(=C(N12)/C=N/N=C(N)N)C3=CC(=CC=C3)[N+](=O)[O-].Cl	NBXGZHXXNAEADY-ZDEOBDHWSA-N
DG64312	"2-[(E)-[3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	9572540	NSC720140; CHEMBL1998332; NSC-720140	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720140	.	.	.	.	379.8	C14H14ClN7O2S	168	526	.	25	3	6	3	"InChI=1S/C14H13N7O2S.ClH/c1-8-7-24-14-18-12(9-2-4-10(5-3-9)21(22)23)11(20(8)14)6-17-19-13(15)16;/h2-7H,1H3,(H4,15,16,19);1H/b17-6+;"	CC1=CSC2=NC(=C(N12)/C=N/N=C(N)N)C3=CC=C(C=C3)[N+](=O)[O-].Cl	HVMUZPRGTARBTF-ZDEOBDHWSA-N
DG64313	"2-[(E)-[2,3-dimethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	9572550	NSC720147; CHEMBL1975182; NSC-720147	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720147	.	.	.	.	393.9	C15H16ClN7O2S	168	555	.	26	3	6	3	"InChI=1S/C15H15N7O2S.ClH/c1-8-9(2)25-15-19-13(10-3-5-11(6-4-10)22(23)24)12(21(8)15)7-18-20-14(16)17;/h3-7H,1-2H3,(H4,16,17,20);1H/b18-7+;"	CC1=C(SC2=NC(=C(N12)/C=N/N=C(N)N)C3=CC=C(C=C3)[N+](=O)[O-])C.Cl	BCBPYUFZBCHQLG-CWSPIBBISA-N
DG64314	2-Acetylphenoxathin thiosemicarbazone	9572553	NSC720190; CHEMBL2001365; 2-Acetylphenoxathin thiosemicarbazone; NSC-720190; (1E)-1-(2-Phenoxathiinyl)ethanone thiosemicarbazone #	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720190	.	.	.	.	315.4	C15H13N3OS2	117	429	3.1	21	2	4	2	"InChI=1S/C15H13N3OS2/c1-9(17-18-15(16)20)10-6-7-12-14(8-10)21-13-5-3-2-4-11(13)19-12/h2-8H,1H3,(H3,16,18,20)/b17-9+"	C/C(=N\\NC(=S)N)/C1=CC2=C(C=C1)OC3=CC=CC=C3S2	LQMMRSIRHDRUMX-RQZCQDPDSA-N
DG64315	N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1H-benzimidazol-2-amine	9572555	NSC720193; CHEMBL1986775; NSC-720193	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720193	.	.	.	.	313.4	C19H15N5	66	432	4.6	24	2	4	4	"InChI=1S/C19H15N5/c1-2-8-14(9-3-1)18(17-12-6-7-13-20-17)23-24-19-21-15-10-4-5-11-16(15)22-19/h1-13H,(H2,21,22,24)/b23-18+"	C1=CC=C(C=C1)/C(=N\\NC2=NC3=CC=CC=C3N2)/C4=CC=CC=N4	ANXLJXKOSUQTNO-PTGBLXJZSA-N
DG64316	N-[(E)-(2-phenyl-1-pyridin-2-ylethylidene)amino]-1H-benzimidazol-2-amine	9572556	NSC720194; CHEMBL1995753; NSC-720194	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720194	.	.	.	.	327.4	C20H17N5	66	445	4.5	25	2	4	5	"InChI=1S/C20H17N5/c1-2-8-15(9-3-1)14-19(16-10-6-7-13-21-16)24-25-20-22-17-11-4-5-12-18(17)23-20/h1-13H,14H2,(H2,22,23,25)/b24-19+"	C1=CC=C(C=C1)C/C(=N\\NC2=NC3=CC=CC=C3N2)/C4=CC=CC=N4	SVPNJSFFVYPLIM-LYBHJNIJSA-N
DG64317	"N-[(E)-[cyclohexyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine"	9572557	NSC720197; CHEMBL1979978; NSC-720197	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720197	.	.	.	.	336.5	C19H20N4S	78.4	435	5.9	24	1	5	4	"InChI=1S/C19H20N4S/c1-2-8-14(9-3-1)18(16-11-6-7-13-20-16)22-23-19-21-15-10-4-5-12-17(15)24-19/h4-7,10-14H,1-3,8-9H2,(H,21,23)/b22-18+"	C1CCC(CC1)/C(=N\\NC2=NC3=CC=CC=C3S2)/C4=CC=CC=N4	WIILCPRVAPFCTN-RELWKKBWSA-N
DG64318	"N-[(E)-(2-phenyl-1-pyridin-2-ylethylidene)amino]-1,3-benzoxazol-2-amine"	9572558	NSC720199; CHEMBL384061; NSC-720199	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720199	.	.	.	.	328.4	C20H16N4O	63.3	449	4.8	25	1	5	5	"InChI=1S/C20H16N4O/c1-2-8-15(9-3-1)14-18(16-10-6-7-13-21-16)23-24-20-22-17-11-4-5-12-19(17)25-20/h1-13H,14H2,(H,22,24)/b23-18+"	C1=CC=C(C=C1)C/C(=N\\NC2=NC3=CC=CC=C3O2)/C4=CC=CC=N4	PAYACXPKLIXROI-PTGBLXJZSA-N
DG64319	"2-(2,4-dichlorophenoxy)-N'-[(1E,2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]acetohydrazide"	9572559	"NSC720236; CHEMBL1982296; STK979731; AKOS000361124; NSC-720236; 2-(2,4-dichlorophenoxy)-N'-[(1E,2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]acetohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720236	.	.	.	.	384.2	C15H11Cl2N3O5	110	526	3.8	25	1	6	6	"InChI=1S/C15H11Cl2N3O5/c16-10-3-5-13(12(17)8-10)24-9-14(21)19-18-7-1-2-11-4-6-15(25-11)20(22)23/h1-8H,9H2,(H,19,21)/b2-1+,18-7+"	C1=CC(=C(C=C1Cl)Cl)OCC(=O)N/N=C/C=C/C2=CC=C(O2)[N+](=O)[O-]	QGAPJHGYXYHYAL-RFFZPADBSA-N
DG64320	5-bromo-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide	9572560	NSC720238; CHEMBL1978033; NSC-720238	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720238	.	.	.	.	370.18	C12H8BrN3O4S	129	454	3.6	21	1	6	4	"InChI=1S/C12H8BrN3O4S/c13-10-5-4-9(21-10)12(17)15-14-7-1-2-8-3-6-11(20-8)16(18)19/h1-7H,(H,15,17)/b2-1+,14-7+"	C1=C(OC(=C1)[N+](=O)[O-])/C=C/C=N/NC(=O)C2=CC=C(S2)Br	ZWLOUSZGJLDFGD-KGYSUWQBSA-N
DG64321	"2-butyl-N,N'-bis[(E)-(5-nitrofuran-2-yl)methylideneamino]propanediamide"	9572561	NSC720240; CHEMBL1987397; NSC-720240	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720240	.	.	.	.	434.4	C17H18N6O8	201	662	3.4	31	2	10	9	"InChI=1S/C17H18N6O8/c1-2-3-4-13(16(24)20-18-9-11-5-7-14(30-11)22(26)27)17(25)21-19-10-12-6-8-15(31-12)23(28)29/h5-10,13H,2-4H2,1H3,(H,20,24)(H,21,25)/b18-9+,19-10+"	CCCCC(C(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-])C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]	PIUDTBWQMAVTBF-VNIJRHKQSA-N
DG64322	"5-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4,6-dinitro-1,3-dihydrobenzimidazol-2-one"	9572562	NSC720250; CHEMBL1990008; NSC-720250	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720250	.	.	.	.	411.2	C14H8Cl2N6O5	157	641	3.6	27	3	7	3	"InChI=1S/C14H8Cl2N6O5/c15-7-2-1-6(8(16)3-7)5-17-20-12-10(21(24)25)4-9-11(13(12)22(26)27)19-14(23)18-9/h1-5,20H,(H2,18,19,23)/b17-5+"	C1=CC(=C(C=C1Cl)Cl)/C=N/NC2=C(C=C3C(=C2[N+](=O)[O-])NC(=O)N3)[N+](=O)[O-]	RYDRUOYKIQTZLU-YAXRCOADSA-N
DG64323	[1-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzimidazol-2-yl]methanol	9572565	NSC720255; CHEMBL1994517; NSC-720255	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720255	.	.	.	.	286.24	C13H10N4O4	109	414	1.9	21	1	6	3	"InChI=1S/C13H10N4O4/c18-8-12-15-10-3-1-2-4-11(10)16(12)14-7-9-5-6-13(21-9)17(19)20/h1-7,18H,8H2/b14-7+"	C1=CC=C2C(=C1)N=C(N2/N=C/C3=CC=C(O3)[N+](=O)[O-])CO	AGVXQVLNGAJRIL-VGOFMYFVSA-N
DG64324	"(NE)-N-[1-[4-(furo[2,3-b]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine"	9572568	NSC720553; SCHEMBL6714254; CHEMBL1802730; SCHEMBL15065069; NSC-720553	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720553	.	.	.	.	317.3	C19H15N3O2	70.6	462	4.2	24	2	5	3	"InChI=1S/C19H15N3O2/c1-12(22-23)13-6-8-14(9-7-13)20-18-15-4-2-3-5-17(15)21-19-16(18)10-11-24-19/h2-11,23H,1H3,(H,20,21)/b22-12+"	C/C(=N\\O)/C1=CC=C(C=C1)NC2=C3C=COC3=NC4=CC=CC=C42	BVRYLKZGGGMMGM-WSDLNYQXSA-N
DG64325	"N-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine"	9572569	NSC720554; SCHEMBL6719011; SCHEMBL6719016; CHEMBL1802731; NSC-720554	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720554	.	.	.	.	331.4	C20H17N3O2	59.6	476	4.5	25	1	5	4	"InChI=1S/C20H17N3O2/c1-13(23-24-2)14-7-9-15(10-8-14)21-19-16-5-3-4-6-18(16)22-20-17(19)11-12-25-20/h3-12H,1-2H3,(H,21,22)/b23-13+"	C/C(=N\\OC)/C1=CC=C(C=C1)NC2=C3C=COC3=NC4=CC=CC=C42	PCUKNVFZQNHBBM-YDZHTSKRSA-N
DG64326	"(NE)-N-[1-[3-(furo[2,3-b]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine"	9572570	NSC720556; SCHEMBL6715983; SCHEMBL6715994; CHEMBL1993266; NSC-720556	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720556	.	.	.	.	317.3	C19H15N3O2	70.6	470	4.2	24	2	5	3	"InChI=1S/C19H15N3O2/c1-12(22-23)13-5-4-6-14(11-13)20-18-15-7-2-3-8-17(15)21-19-16(18)9-10-24-19/h2-11,23H,1H3,(H,20,21)/b22-12+"	C/C(=N\\O)/C1=CC(=CC=C1)NC2=C3C=COC3=NC4=CC=CC=C42	FKMZLVVEWLPHHR-WSDLNYQXSA-N
DG64327	"N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine"	9572571	NSC720557; CHEMBL1979381; NSC-720557	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720557	.	.	.	.	331.4	C20H17N3O2	59.6	484	4.5	25	1	5	4	"InChI=1S/C20H17N3O2/c1-13(23-24-2)14-6-5-7-15(12-14)21-19-16-8-3-4-9-18(16)22-20-17(19)10-11-25-20/h3-12H,1-2H3,(H,21,22)/b23-13+"	C/C(=N\\OC)/C1=CC(=CC=C1)NC2=C3C=COC3=NC4=CC=CC=C42	RWIMYYCFWKUDTR-YDZHTSKRSA-N
DG64328	"(NE)-N-[1-[4-(furo[3,2-c]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine"	9572572	NSC720561; CHEMBL1984060; NSC-720561	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720561	.	.	.	.	317.3	C19H15N3O2	70.6	462	4.4	24	2	5	3	"InChI=1S/C19H15N3O2/c1-12(22-23)13-6-8-14(9-7-13)20-19-16-10-11-24-18(16)15-4-2-3-5-17(15)21-19/h2-11,23H,1H3,(H,20,21)/b22-12+"	C/C(=N\\O)/C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4	BDCDYSPYGPCUPP-WSDLNYQXSA-N
DG64329	"(NE)-N-[1-[3-(furo[3,2-c]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine"	9572574	NSC720565; CHEMBL1997355; NSC-720565	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720565	.	.	.	.	317.3	C19H15N3O2	70.6	470	4.4	24	2	5	3	"InChI=1S/C19H15N3O2/c1-12(22-23)13-5-4-6-14(11-13)20-19-16-9-10-24-18(16)15-7-2-3-8-17(15)21-19/h2-11,23H,1H3,(H,20,21)/b22-12+"	C/C(=N\\O)/C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4	PHLZTBMCHHIBOJ-WSDLNYQXSA-N
DG64330	"N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]furo[3,2-c]quinolin-4-amine"	9572575	NSC720566; CHEMBL1994238; NSC-720566	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720566	.	.	.	.	331.4	C20H17N3O2	59.6	484	4.7	25	1	5	4	"InChI=1S/C20H17N3O2/c1-13(23-24-2)14-6-5-7-15(12-14)21-20-17-10-11-25-19(17)16-8-3-4-9-18(16)22-20/h3-12H,1-2H3,(H,21,22)/b23-13+"	C/C(=N\\OC)/C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4	CIXWBIQSPWKJFF-YDZHTSKRSA-N
DG64331	"8-[(2E)-2-(3-butyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,3-dimethyl-7H-purine-2,6-dione"	9572578	NSC720616; CHEMBL1982788; NSC-720616	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720616	.	.	.	.	365.41	C14H19N7O3S	139	613	1.7	25	2	7	5	"InChI=1S/C14H19N7O3S/c1-4-5-6-21-8(22)7-25-13(21)18-17-12-15-9-10(16-12)19(2)14(24)20(3)11(9)23/h4-7H2,1-3H3,(H2,15,16,17)/b18-13+"	CCCCN\\1C(=O)CS/C1=N/NC2=NC3=C(N2)C(=O)N(C(=O)N3C)C	PVSHNUROCTURGI-QGOAFFKASA-N
DG64332	"8-[(2E)-2-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,3,7-trimethylpurine-2,6-dione"	9572581	NSC720619; CHEMBL1997784; NSC-720619	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720619	.	.	.	.	413.5	C18H19N7O3S	128	726	1.9	29	1	7	4	"InChI=1S/C18H19N7O3S/c1-22-13-14(23(2)18(28)24(3)15(13)27)19-16(22)20-21-17-25(12(26)10-29-17)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,19,20)/b21-17+"	CN1C2=C(N=C1N/N=C/3\\N(C(=O)CS3)CC4=CC=CC=C4)N(C(=O)N(C2=O)C)C	HJLKRSCOGVIVDY-HEHNFIMWSA-N
DG64333	"(NZ)-N-[1-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)phenyl]ethylidene]hydroxylamine"	9572584	NSC721040; CHEMBL1982225; NSC-721040	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721040	.	.	.	.	366.4	C23H18N4O	73.3	581	5.5	28	3	4	3	"InChI=1S/C23H18N4O/c1-14(27-28)15-7-6-8-16(13-15)24-23-21-17-9-2-4-11-19(17)25-22(21)18-10-3-5-12-20(18)26-23/h2-13,25,28H,1H3,(H,24,26)/b27-14-"	C/C(=N/O)/C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C5=CC=CC=C5N4	CFFACRWPWIZWGJ-VYYCAZPPSA-N
DG64334	"N-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-11H-indolo[3,2-c]quinolin-6-amine"	9572585	NSC721041; CHEMBL1968081; NSC-721041	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721041	.	.	.	.	380.4	C24H20N4O	62.3	595	5.8	29	2	4	4	"InChI=1S/C24H20N4O/c1-15(28-29-2)16-8-7-9-17(14-16)25-24-22-18-10-3-5-12-20(18)26-23(22)19-11-4-6-13-21(19)27-24/h3-14,26H,1-2H3,(H,25,27)/b28-15-"	C/C(=N/OC)/C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C5=CC=CC=C5N4	QHCLTICCHDALMM-MBTHVWNTSA-N
DG64335	"9-[(2E)-2-(4-chlorophenyl)-2-hydroxyiminoethoxy]chromeno[3,4-b]chromene-6,12-dione"	9572588	NSC721045; CHEMBL1998991; NSC-721045	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721045	.	.	.	.	447.8	C24H14ClNO6	94.4	817	5.1	32	1	7	4	"InChI=1S/C24H14ClNO6/c25-14-7-5-13(6-8-14)18(26-29)12-30-15-9-10-17-20(11-15)31-23-21(22(17)27)16-3-1-2-4-19(16)32-24(23)28/h1-11,29H,12H2/b26-18-"	C1=CC=C2C(=C1)C3=C(C(=O)O2)OC4=C(C3=O)C=CC(=C4)OC/C(=N/O)/C5=CC=C(C=C5)Cl	JZRBAKFQJKBJKQ-ITYLOYPMSA-N
DG64336	3-(1-aza-2-phenylvinyl)-6-iodo-2-(2-thienyl)-3H-quinazolin-4-one	9572590	NSC721279; CHEMBL551096; NSC-721279; 3-(1-aza-2-phenylvinyl)-6-iodo-2-(2-thienyl)-3H-quinazolin-4 -one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721279	.	.	.	.	457.3	C19H12IN3OS	73.3	561	4.8	25	0	4	3	InChI=1S/C19H12IN3OS/c20-14-8-9-16-15(11-14)19(24)23(18(22-16)17-7-4-10-25-17)21-12-13-5-2-1-3-6-13/h1-12H/b21-12+	C1=CC=C(C=C1)/C=N/N2C(=NC3=C(C2=O)C=C(C=C3)I)C4=CC=CS4	NGQLVJFUGVELDC-CIAFOILYSA-N
DG64337	N-[(E)-1-quinolin-2-ylethylideneamino]-1H-benzimidazol-2-amine	9572606	NSC722315; CHEMBL2005818; NSC-722315	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722315	.	.	.	.	301.3	C18H15N5	66	437	4.3	23	2	4	3	"InChI=1S/C18H15N5/c1-12(14-11-10-13-6-2-3-7-15(13)19-14)22-23-18-20-16-8-4-5-9-17(16)21-18/h2-11H,1H3,(H2,20,21,23)/b22-12+"	C/C(=N\\NC1=NC2=CC=CC=C2N1)/C3=NC4=CC=CC=C4C=C3	WJYSFNUFWNKEOX-WSDLNYQXSA-N
DG64338	1-methyl-N-[(E)-1-quinolin-2-ylethylideneamino]benzimidazol-2-amine	9572607	NSC722316; CHEMBL1964917; NSC-722316	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722316	.	.	.	.	315.4	C19H17N5	55.1	465	4.2	24	1	4	3	"InChI=1S/C19H17N5/c1-13(15-12-11-14-7-3-4-8-16(14)20-15)22-23-19-21-17-9-5-6-10-18(17)24(19)2/h3-12H,1-2H3,(H,21,23)/b22-13+"	C/C(=N\\NC1=NC2=CC=CC=C2N1C)/C3=NC4=CC=CC=C4C=C3	WRMHOSDOJVKXLZ-LPYMAVHISA-N
DG64339	"N-[(E)-1-quinolin-2-ylethylideneamino]-1,3-benzoxazol-2-amine"	9572608	NSC722317; CHEMBL216385; NSC-722317	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722317	.	.	.	.	302.3	C18H14N4O	63.3	441	4.5	23	1	5	3	"InChI=1S/C18H14N4O/c1-12(14-11-10-13-6-2-3-7-15(13)19-14)21-22-18-20-16-8-4-5-9-17(16)23-18/h2-11H,1H3,(H,20,22)/b21-12+"	C/C(=N\\NC1=NC2=CC=CC=C2O1)/C3=NC4=CC=CC=C4C=C3	CBBXHKJWAJOIPF-CIAFOILYSA-N
DG64340	"N-[(E)-1-quinolin-2-ylethylideneamino]-1,3-benzothiazol-2-amine"	9572609	NSC722318; CHEMBL1965066; NSC-722318	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722318	.	.	.	.	318.4	C18H14N4S	78.4	441	5.2	23	1	5	3	"InChI=1S/C18H14N4S/c1-12(14-11-10-13-6-2-3-7-15(13)19-14)21-22-18-20-16-8-4-5-9-17(16)23-18/h2-11H,1H3,(H,20,22)/b21-12+"	C/C(=N\\NC1=NC2=CC=CC=C2S1)/C3=NC4=CC=CC=C4C=C3	YNGWHJOBGXTPJZ-CIAFOILYSA-N
DG64341	2-[(2E)-2-benzylidenehydrazinyl]-1-methyl-4-(4-nitrophenyl)-6-oxopyrimidine-5-carbonitrile	9572610	NSC722325; CHEMBL1990453; NSC-722325	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722325	.	.	.	.	374.4	C19H14N6O3	127	758	2.3	28	1	6	4	"InChI=1S/C19H14N6O3/c1-24-18(26)16(11-20)17(14-7-9-15(10-8-14)25(27)28)22-19(24)23-21-12-13-5-3-2-4-6-13/h2-10,12H,1H3,(H,22,23)/b21-12+"	CN1C(=O)C(=C(N=C1N/N=C/C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C#N	HYCQEKLJURPIJZ-CIAFOILYSA-N
DG64342	"4-(1,3-benzodioxol-5-yl)-2-[(2E)-2-benzylidenehydrazinyl]-1-methyl-6-oxopyrimidine-5-carbonitrile"	9572611	NSC722326; CHEMBL1999453; NSC-722326	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722326	.	.	.	.	373.4	C20H15N5O3	99.3	759	2.3	28	1	6	4	"InChI=1S/C20H15N5O3/c1-25-19(26)15(10-21)18(14-7-8-16-17(9-14)28-12-27-16)23-20(25)24-22-11-13-5-3-2-4-6-13/h2-9,11H,12H2,1H3,(H,23,24)/b22-11+"	CN1C(=O)C(=C(N=C1N/N=C/C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C#N	VWSBWOBVIKFZOP-SSDVNMTOSA-N
DG64343	4-(4-chlorophenyl)-2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-methyl-6-oxopyrimidine-5-carbonitrile	9572612	NSC722327; CHEMBL1976835; NSC-722327	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722327	.	.	.	.	398.2	C19H13Cl2N5O	80.8	707	3.7	27	1	4	4	"InChI=1S/C19H13Cl2N5O/c1-26-18(27)16(10-22)17(13-4-8-15(21)9-5-13)24-19(26)25-23-11-12-2-6-14(20)7-3-12/h2-9,11H,1H3,(H,24,25)/b23-11+"	CN1C(=O)C(=C(N=C1N/N=C/C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C#N	KCUGCLUEEAVVSH-FOKLQQMPSA-N
DG64344	"2-[(E)-[2-chloro-6-(3,6-dimethoxy-2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	9572615	NSC722866; CHEMBL1978837; NSC-722866	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722866	.	.	.	.	460.3	C15H15Cl2N7O4S	187	632	.	29	3	8	5	"InChI=1S/C15H14ClN7O4S.ClH/c1-26-8-3-4-9(27-2)13(23(24)25)11(8)12-7(5-19-21-14(17)18)22-6-10(16)28-15(22)20-12;/h3-6H,1-2H3,(H4,17,18,21);1H/b19-5+;"	COC1=C(C(=C(C=C1)OC)[N+](=O)[O-])C2=C(N3C=C(SC3=N2)Cl)/C=N/N=C(N)N.Cl	DCFFBRZUBNBVIK-JKEJZTEDSA-N
DG64345	"2-[(E)-[2-chloro-6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	9572619	NSC-722868; CHEMBL1910634; NSC722868	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722868	.	.	.	.	434.7	C13H10Cl3N7O2S	168	571	.	26	3	6	3	"InChI=1S/C13H9Cl2N7O2S.ClH/c14-7-2-1-6(3-8(7)22(23)24)11-9(4-18-20-12(16)17)21-5-10(15)25-13(21)19-11;/h1-5H,(H4,16,17,20);1H/b18-4+;"	C1=CC(=C(C=C1C2=C(N3C=C(SC3=N2)Cl)/C=N/N=C(N)N)[N+](=O)[O-])Cl.Cl	ZRPFPSBIWKABOK-BLSWVXOOSA-N
DG64346	"2-[(E)-[6-(3,6-dimethoxy-2-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	9572621	NSC722869; CHEMBL1975349; NSC-722869	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722869	.	.	.	.	439.9	C16H18ClN7O4S	187	627	.	29	3	8	5	"InChI=1S/C16H17N7O4S.ClH/c1-8-7-22-9(6-19-21-15(17)18)13(20-16(22)28-8)12-10(26-2)4-5-11(27-3)14(12)23(24)25;/h4-7H,1-3H3,(H4,17,18,21);1H/b19-6+;"	CC1=CN2C(=C(N=C2S1)C3=C(C=CC(=C3[N+](=O)[O-])OC)OC)/C=N/N=C(N)N.Cl	FNPZLAUQCHRTCG-HKPLGMKZSA-N
DG64347	"2-[(E)-[2-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	9572625	NSC-722871; CHEMBL1910750; NSC722871	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722871	.	.	.	.	379.8	C14H14ClN7O2S	168	534	.	25	3	6	3	"InChI=1S/C14H13N7O2S.ClH/c1-8-7-20-11(6-17-19-13(15)16)12(18-14(20)24-8)9-3-2-4-10(5-9)21(22)23;/h2-7H,1H3,(H4,15,16,19);1H/b17-6+;"	CC1=CN2C(=C(N=C2S1)C3=CC(=CC=C3)[N+](=O)[O-])/C=N/N=C(N)N.Cl	NHNCOMYJWGQWGL-ZDEOBDHWSA-N
DG64348	"2-[(E)-[6-(2,4-dichloro-5-nitrophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	9572629	NSC722873; CHEMBL1987058; NSC-722873	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722873	.	.	.	.	448.7	C14H12Cl3N7O2S	168	600	.	27	3	6	3	"InChI=1S/C14H11Cl2N7O2S.ClH/c1-6-5-26-14-20-12(11(22(6)14)4-19-21-13(17)18)7-2-10(23(24)25)9(16)3-8(7)15;/h2-5H,1H3,(H4,17,18,21);1H/b19-4+;"	CC1=CSC2=NC(=C(N12)/C=N/N=C(N)N)C3=CC(=C(C=C3Cl)Cl)[N+](=O)[O-].Cl	QDZZJBTYRIBDJW-RLNUVCJQSA-N
DG64349	"2-[(E)-[6-(2,4-dichloro-5-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	9572631	NSC-722877; CHEMBL1910760; NSC722877	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722877	.	.	.	.	462.7	C15H14Cl3N7O2S	168	630	.	28	3	6	3	"InChI=1S/C15H13Cl2N7O2S.ClH/c1-6-7(2)27-15-21-13(12(23(6)15)5-20-22-14(18)19)8-3-11(24(25)26)10(17)4-9(8)16;/h3-5H,1-2H3,(H4,18,19,22);1H/b20-5+;"	CC1=C(SC2=NC(=C(N12)/C=N/N=C(N)N)C3=CC(=C(C=C3Cl)Cl)[N+](=O)[O-])C.Cl	UDKVLEBRBOKCJV-BKBNNMJSSA-N
DG64350	4-chloro-5-methyl-2-[4-nitrophenylhydrazone-N-(4-chlorobenzy lidenethio)]benzenesulfonamide	9572648	NSC723155; CHEMBL1982932; NSC-723155; 4-chloro-5-methyl-2-[4-nitrophenylhydrazone-N-(4-chlorobenzy lidenethio)]benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723155	.	.	.	.	511.4	C20H16Cl2N4O4S2	164	773	6	32	2	8	6	"InChI=1S/C20H16Cl2N4O4S2/c1-12-10-19(32(23,29)30)18(11-17(12)22)31-20(13-2-4-14(21)5-3-13)25-24-15-6-8-16(9-7-15)26(27)28/h2-11,24H,1H3,(H2,23,29,30)/b25-20-"	CC1=CC(=C(C=C1Cl)S/C(=N\\NC2=CC=C(C=C2)[N+](=O)[O-])/C3=CC=C(C=C3)Cl)S(=O)(=O)N	AAJYRZAVXMUIKB-QQTULTPQSA-N
DG64351	"2-[(E)-[6-(3,6-dimethoxy-2-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	9572654	NSC723548; CHEMBL2000223; NSC-723548	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723548	.	.	.	.	467.9	C18H22ClN7O4S	187	657	.	31	3	8	7	"InChI=1S/C18H21N7O4S.ClH/c1-4-5-10-9-24-11(8-21-23-17(19)20)15(22-18(24)30-10)14-12(28-2)6-7-13(29-3)16(14)25(26)27;/h6-9H,4-5H2,1-3H3,(H4,19,20,23);1H/b21-8+;"	CCCC1=CN2C(=C(N=C2S1)C3=C(C=CC(=C3[N+](=O)[O-])OC)OC)/C=N/N=C(N)N.Cl	BTRYYQOYOMBURH-LQGGPMKRSA-N
DG64352	"2-[(E)-[6-(3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	9572660	NSC-723551; CHEMBL1910747; NSC723551	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723551	.	.	.	.	407.9	C16H18ClN7O2S	168	563	.	27	3	6	5	"InChI=1S/C16H17N7O2S.ClH/c1-2-4-12-9-22-13(8-19-21-15(17)18)14(20-16(22)26-12)10-5-3-6-11(7-10)23(24)25;/h3,5-9H,2,4H2,1H3,(H4,17,18,21);1H/b19-8+;"	CCCC1=CN2C(=C(N=C2S1)C3=CC(=CC=C3)[N+](=O)[O-])/C=N/N=C(N)N.Cl	HEXABTQHVPFUEO-BTSUEJIHSA-N
DG64353	"2-[(E)-[6-(4-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	9572662	NSC-723552; CHEMBL1910754; NSC723552	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723552	.	.	.	.	407.9	C16H18ClN7O2S	168	555	.	27	3	6	5	"InChI=1S/C16H17N7O2S.ClH/c1-2-3-12-9-22-13(8-19-21-15(17)18)14(20-16(22)26-12)10-4-6-11(7-5-10)23(24)25;/h4-9H,2-3H2,1H3,(H4,17,18,21);1H/b19-8+;"	CCCC1=CN2C(=C(N=C2S1)C3=CC=C(C=C3)[N+](=O)[O-])/C=N/N=C(N)N.Cl	FFYOHYMEMSLTDO-BTSUEJIHSA-N
DG64354	"2-[(E)-[6-(2,4-dichloro-5-methylphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	9572664	NSC723553; CHEMBL1987310	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723553	.	.	.	.	431.8	C16H17Cl3N6S	122	529	.	26	3	4	4	"InChI=1S/C16H16Cl2N6S.ClH/c1-3-9-7-24-13(6-21-23-15(19)20)14(22-16(24)25-9)10-4-8(2)11(17)5-12(10)18;/h4-7H,3H2,1-2H3,(H4,19,20,23);1H/b21-6+;"	CCC1=CN2C(=C(N=C2S1)C3=C(C=C(C(=C3)C)Cl)Cl)/C=N/N=C(N)N.Cl	MJKNHJRONUHVMF-XLDILFPASA-N
DG64355	(3-Nitro-benzylidene-hydrazinocarbonylmethylsulfanyl)-acetic acid (3-nitro-benzylidene)-hydrazide	9572668	NSC724063; CHEMBL1980691; NSC-724063; (3-nitro-benzylidene-hydrazinocarbonylmethylsulfanyl)-acetic acid (3-nitro-benzylidene)-hydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724063	.	.	.	.	444.4	C18H16N6O6S	200	649	2.5	31	2	9	8	"InChI=1S/C18H16N6O6S/c25-17(21-19-9-13-3-1-5-15(7-13)23(27)28)11-31-12-18(26)22-20-10-14-4-2-6-16(8-14)24(29)30/h1-10H,11-12H2,(H,21,25)(H,22,26)/b19-9-,20-10-"	C1=CC(=CC(=C1)[N+](=O)[O-])/C=N\\NC(=O)CSCC(=O)N/N=C\\C2=CC(=CC=C2)[N+](=O)[O-]	BWSGFTCCTCBPTE-QJUDHZBZSA-N
DG64356	(3-Bromo-benzylidene-hydrazinocarbonylmethylsulfanyl)acetic acid (3-bromo-benzylidene)-hydrazide	9572671	NSC724067; CHEMBL2003092; NSC-724067; (3-bromo-benzylidene-hydrazinocarbonylmethylsulfanyl)acetic acid (3-bromo-benzylidene)-hydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724067	.	.	.	.	512.2	C18H16Br2N4O2S	108	502	4.2	27	2	5	8	"InChI=1S/C18H16Br2N4O2S/c19-15-5-1-3-13(7-15)9-21-23-17(25)11-27-12-18(26)24-22-10-14-4-2-6-16(20)8-14/h1-10H,11-12H2,(H,23,25)(H,24,26)/b21-9-,22-10-"	C1=CC(=CC(=C1)Br)/C=N\\NC(=O)CSCC(=O)N/N=C\\C2=CC(=CC=C2)Br	SRBSSBJJZYHIJO-KGIZCEIGSA-N
DG64357	4-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2H-phthalazin-1-one	9572673	NSC724112; CHEMBL1979190; NSC-724112	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724112	.	.	.	.	298.73	C15H11ClN4O	65.8	443	2.8	21	2	3	3	"InChI=1S/C15H11ClN4O/c16-11-7-5-10(6-8-11)9-17-18-14-12-3-1-2-4-13(12)15(21)20-19-14/h1-9H,(H,18,19)(H,20,21)/b17-9-"	C1=CC=C2C(=C1)C(=O)NN=C2N/N=C\\C3=CC=C(C=C3)Cl	UCCFIDQIOVTJPG-MFOYZWKCSA-N
DG64358	"4-[(2Z)-2-[3-butyl-4-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]hydrazinyl]-2H-phthalazin-1-one"	9572675	NSC724117; CHEMBL2006854; NSC-724117	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724117	.	.	.	.	428	C21H22ClN5OS	94.4	649	4.6	29	2	4	6	"InChI=1S/C21H22ClN5OS/c1-2-3-12-27-18(14-8-10-15(22)11-9-14)13-29-21(27)26-24-19-16-6-4-5-7-17(16)20(28)25-23-19/h4-11,18H,2-3,12-13H2,1H3,(H,23,24)(H,25,28)/b26-21-"	CCCCN\\1C(CS/C1=N\\NC2=NNC(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl	LVCRBPPARDFEHP-QLYXXIJNSA-N
DG64359	"6-Ethylthio-1-hydroxymethyl-4-thienylidenehydrazino pyrazolo[3,4-d]pyrimidine"	9572681	"NSC724130; CHEMBL1978114; NSC-724130; 6-Ethylthio-1-hydroxymethyl-4-thienylidenehydrazino pyrazolo[3,4-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724130	.	.	.	.	334.4	C13H14N6OS2	142	388	2.7	22	2	8	6	"InChI=1S/C13H14N6OS2/c1-2-21-13-16-11(18-14-6-9-4-3-5-22-9)10-7-15-19(8-20)12(10)17-13/h3-7,20H,2,8H2,1H3,(H,16,17,18)/b14-6+"	CCSC1=NC(=C2C=NN(C2=N1)CO)N/N=C/C3=CC=CS3	ZGLGROHLZGHDDU-MKMNVTDBSA-N
DG64360	(4-t-Butyl-benzylidene-hydrazino-carbonylmethylsulfanyl)acet ic acid (4-t-butyl-benzylidene)-hydrazide	9572685	NSC724294; CHEMBL1997708; NSC-724294; (4-t-butyl-benzylidene-hydrazino-carbonylmethylsulfanyl)acet ic acid (4-t-butyl-benzylidene)-hydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724294	.	.	.	.	466.6	C26H34N4O2S	108	619	6.2	33	2	5	10	"InChI=1S/C26H34N4O2S/c1-25(2,3)21-11-7-19(8-12-21)15-27-29-23(31)17-33-18-24(32)30-28-16-20-9-13-22(14-10-20)26(4,5)6/h7-16H,17-18H2,1-6H3,(H,29,31)(H,30,32)/b27-15+,28-16+"	CC(C1=CC=C(C=C1)/C=N/NC(=O)CSCC(=O)N/N=C/C2=CC=C(C=C2)C(C)(C)C)(C)C	IWMHUAAVFREZMP-DPCVLPDWSA-N
DG64361	(3-Trifluoromethyl-benzylidene-hydrazinocarbonylmethylsulfan yl)acetic acid (3-trifluoromethyl-benzylidene)-hydrazide	9572690	NSC724342; CHEMBL2003005; NSC-724342; (3-trifluoromethyl-benzylidene-hydrazinocarbonylmethylsulfan yl)acetic acid (3-trifluoromethyl-benzylidene)-hydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724342	.	.	.	.	490.4	C20H16F6N4O2S	108	656	4.6	33	2	11	8	"InChI=1S/C20H16F6N4O2S/c21-19(22,23)15-5-1-3-13(7-15)9-27-29-17(31)11-33-12-18(32)30-28-10-14-4-2-6-16(8-14)20(24,25)26/h1-10H,11-12H2,(H,29,31)(H,30,32)/b27-9+,28-10+"	C1=CC(=CC(=C1)C(F)(F)F)/C=N/NC(=O)CSCC(=O)N/N=C/C2=CC(=CC=C2)C(F)(F)F	CPGPWOKEKXEKFI-YEBYOEETSA-N
DG64362	"4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione"	9572705	NSC724643; NSC-724643	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724643	.	.	.	.	345.34	C14H11N5O4S	140	552	2.5	24	1	7	4	"InChI=1S/C14H11N5O4S/c1-22-9-2-4-11(12(6-9)19(20)21)13-5-3-10(23-13)7-16-18-8-15-17-14(18)24/h2-8H,1H3,(H,17,24)/b16-7+"	COC1=CC(=C(C=C1)C2=CC=C(O2)/C=N/N3C=NNC3=S)[N+](=O)[O-]	NPIKXFPCEMAPOD-FRKPEAEDSA-N
DG64363	"3-[(4-chlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione"	9572707	NSC724645; NSC-724645	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724645	.	.	.	.	485.9	C21H16ClN5O5S	150	773	4.8	33	1	8	7	"InChI=1S/C21H16ClN5O5S/c1-30-15-6-8-17(18(10-15)27(28)29)19-9-7-16(32-19)11-23-26-20(24-25-21(26)33)12-31-14-4-2-13(22)3-5-14/h2-11H,12H2,1H3,(H,25,33)/b23-11+"	COC1=CC(=C(C=C1)C2=CC=C(O2)/C=N/N3C(=NNC3=S)COC4=CC=C(C=C4)Cl)[N+](=O)[O-]	GPGIDQQQSVUHEL-FOKLQQMPSA-N
DG64364	"3-[(2,4-dichlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione"	9572709	NSC724647; NSC-724647	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724647	.	.	.	.	520.299	C21H15Cl2N5O5S	150	815	5.4	34	1	8	7	"InChI=1S/C21H15Cl2N5O5S/c1-31-13-3-5-15(17(9-13)28(29)30)18-7-4-14(33-18)10-24-27-20(25-26-21(27)34)11-32-19-6-2-12(22)8-16(19)23/h2-10H,11H2,1H3,(H,26,34)/b24-10+"	COC1=CC(=C(C=C1)C2=CC=C(O2)/C=N/N3C(=NNC3=S)COC4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]	ZALPMVZTIHWIJY-YSURURNPSA-N
DG64365	NSC724652	9572714	"5-[(2,4-dichlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione; NSC724652; NSC-724652"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724652	.	.	.	.	619.5	C26H24Cl2N6O6S	153	985	5.4	41	0	10	9	"InChI=1S/C26H24Cl2N6O6S/c1-37-18-3-5-20(22(13-18)34(35)36)23-7-4-19(40-23)14-29-33-25(15-39-24-6-2-17(27)12-21(24)28)30-32(26(33)41)16-31-8-10-38-11-9-31/h2-7,12-14H,8-11,15-16H2,1H3/b29-14+"	COC1=CC(=C(C=C1)C2=CC=C(O2)/C=N/N3C(=NN(C3=S)CN4CCOCC4)COC5=C(C=C(C=C5)Cl)Cl)[N+](=O)[O-]	RTMIMNFMDGUCTF-IPPBACCNSA-N
DG64366	NSC724657	9572719	"5-[(2,4-dichlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione; NSC724657; NSC-724657"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724657	.	.	.	.	632.5	C27H27Cl2N7O5S	147	1010	5.6	42	0	10	9	"InChI=1S/C27H27Cl2N7O5S/c1-32-9-11-33(12-10-32)17-34-27(42)35(26(31-34)16-40-25-7-3-18(28)13-22(25)29)30-15-20-5-8-24(41-20)21-6-4-19(39-2)14-23(21)36(37)38/h3-8,13-15H,9-12,16-17H2,1-2H3/b30-15+"	CN1CCN(CC1)CN2C(=S)N(C(=N2)COC3=C(C=C(C=C3)Cl)Cl)/N=C/C4=CC=C(O4)C5=C(C=C(C=C5)OC)[N+](=O)[O-]	WJCBXHNAPCZDLE-FJEPWZHXSA-N
DG64367	"1-Piperazinecarboxylic acid, 4-((2,4-dinitrophenoxy)-nno-azoxy)-, ethyl ester"	9572720	"JS-K; UNII-80P1Q21652; 1-Piperazinecarboxylic acid, 4-((2,4-dinitrophenoxy)-nno-azoxy)-, ethyl ester; 205432-12-8; 80P1Q21652; (Z)-(2,4-dinitrophenoxy)imino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium; NSC-724771; NSC724771; CHEMBL455983; SCHEMBL12465432; SCHEMBL20520603; DTXSID70174545; HMS3261L12; Tox21_500615; CCG-221919; SDCCGSBI-0633737.P001; 1-Piperazinecarboxylic acid, 4-(2-(2,4-dinitrophenoxy)-1-oxidodiazenyl)-, ethyl ester; CAS Number:  205432-12-8; JS-K, >=97%; O2-(2,4-Dinitrophenyl) 1-((4-ethoxycarbonyl)piperazin-1-yl)diazen-1-ium-1,2-diolate; NCGC00165815-01; NCGC00165815-02; NCGC00165815-04; NCGC00165815-08; NCGC00261300-01; HY-126193; CS-0092547; J-013395; Osup2-(2,4-Dinitrophenyl) 1-[(4-Ethoxycarbonyl)piperazin-1-yl]diazen-1-ium-1,2-diolate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724771	.	.	.	.	384.3	C13H16N6O8	175	582	2	27	0	10	5	"InChI=1S/C13H16N6O8/c1-2-26-13(20)15-5-7-16(8-6-15)19(25)14-27-12-4-3-10(17(21)22)9-11(12)18(23)24/h3-4,9H,2,5-8H2,1H3/b19-14-"	CCOC(=O)N1CCN(CC1)/[N+](=N/OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/[O-]	DNJRNBYZLPKSHV-RGEXLXHISA-N
DG64368	4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-methylbenzylidenethio]benzenesulfonamide	9572722	NSC724873; NSC-724873; 4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-methylbenzylidenethio]benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724873	.	.	.	.	491	C21H19ClN4O4S2	164	770	5.8	32	2	8	6	"InChI=1S/C21H19ClN4O4S2/c1-13-3-5-15(6-4-13)21(25-24-16-7-9-17(10-8-16)26(27)28)31-19-12-18(22)14(2)11-20(19)32(23,29)30/h3-12,24H,1-2H3,(H2,23,29,30)/b25-21-"	CC1=CC=C(C=C1)/C(=N/NC2=CC=C(C=C2)[N+](=O)[O-])/SC3=C(C=C(C(=C3)Cl)C)S(=O)(=O)N	KRBYHTCXVMIRSC-DAFNUICNSA-N
DG64369	4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-methoxybenzylidenethio)]benzenesulfonamide	9572723	NSC724874; NSC-724874; 4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-methoxybenzylidenethio)]benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724874	.	.	.	.	507	C21H19ClN4O5S2	173	788	5.4	33	2	9	7	"InChI=1S/C21H19ClN4O5S2/c1-13-11-20(33(23,29)30)19(12-18(13)22)32-21(14-3-9-17(31-2)10-4-14)25-24-15-5-7-16(8-6-15)26(27)28/h3-12,24H,1-2H3,(H2,23,29,30)/b25-21-"	CC1=CC(=C(C=C1Cl)S/C(=N\\NC2=CC=C(C=C2)[N+](=O)[O-])/C3=CC=C(C=C3)OC)S(=O)(=O)N	XCUYMSJMZMQDSE-DAFNUICNSA-N
DG64370	4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(2-naphtylidenethio)]benzenesulfonamide	9572725	NSC724877; NSC-724877; 4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(2-naphtylidenethio)]benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724877	.	.	.	.	527	C24H19ClN4O4S2	164	870	6.7	35	2	8	6	"InChI=1S/C24H19ClN4O4S2/c1-15-12-23(35(26,32)33)22(14-21(15)25)34-24(18-7-6-16-4-2-3-5-17(16)13-18)28-27-19-8-10-20(11-9-19)29(30)31/h2-14,27H,1H3,(H2,26,32,33)/b28-24-"	CC1=CC(=C(C=C1Cl)S/C(=N\\NC2=CC=C(C=C2)[N+](=O)[O-])/C3=CC4=CC=CC=C4C=C3)S(=O)(=O)N	DHMLISYVBDUBAE-COOPMVRXSA-N
DG64371	N-methylamino-N'-[(5-nitro-2-thienyl)methylidene]-N''-(2-ben zylthio-4-chloro-5-methylbenzenesulfonyl)-guanidine	9572730	MLS002702498; NSC724904; NSC-724904; N-methylamino-N'-[(5-nitro-2-thienyl)methylidene]-N''-(2-ben zylthio-4-chloro-5-methylbenzenesulfonyl)-guanidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724904	.	.	.	.	538.1	C21H20ClN5O4S3	191	842	5.6	34	2	8	9	"InChI=1S/C21H20ClN5O4S3/c1-14-10-19(18(11-17(14)22)32-13-15-6-4-3-5-7-15)34(30,31)26-21(25-23-2)24-12-16-8-9-20(33-16)27(28)29/h3-12,23H,13H2,1-2H3,(H,25,26)/b24-12+"	CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)/N=C(\\NNC)/N=C/C3=CC=C(S3)[N+](=O)[O-]	UGQREAFUSDFXAN-WYMPLXKRSA-N
DG64372	S-Methyl S'-(3-naphth-1-yl-3-oxo-prop-1-en-1-yl) cyanimidodithiocarbonate	9572732	NSC725057; ZINC5527636; AKOS024370195; NSC-725057; S-Methyl S'-(3-naphth-1-yl-3-oxo-prop-1-en-1-yl) cyanimidodithiocarbonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725057	.	.	.	.	312.4	C16H12N2OS2	104	478	4.7	21	0	5	5	"InChI=1S/C16H12N2OS2/c1-20-16(18-11-17)21-10-9-15(19)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,1H3/b10-9+,18-16 "	CSC(=NC#N)S/C=C/C(=O)C1=CC=CC2=CC=CC=C21	QLWCLXSQTYEDPY-TXDNOQHQSA-N
DG64373	S-Benzyl S'-(3-oxo-3-m-tolyl-prop-1-en-1-yl) cyanimidodithiocarbonate	9572733	NSC725058; AKOS024370792; ZINC104839527; NSC-725058; S-Benzyl S'-(3-oxo-3-m-tolyl-prop-1-en-1-yl) cyanimidodithiocarbonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725058	.	.	.	.	352.5	C19H16N2OS2	104	515	5.3	24	0	5	7	"InChI=1S/C19H16N2OS2/c1-15-6-5-9-17(12-15)18(22)10-11-23-19(21-14-20)24-13-16-7-3-2-4-8-16/h2-12H,13H2,1H3/b11-10+,21-19 "	CC1=CC(=CC=C1)C(=O)/C=C/SC(=NC#N)SCC2=CC=CC=C2	PNRQPBLLIOPXRQ-OCSQOWRYSA-N
DG64374	S-Methyl S'-(3-oxo-3-phenyl-prop-1-en-1-yl) cyan-imidodithiocarbonate	9572734	NSC725067; ZINC5721287; AKOS024373065; NSC-725067; S-Methyl S'-(3-oxo-3-phenyl-prop-1-en-1-yl) cyan-imidodithiocarbonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725067	.	.	.	.	262.4	C12H10N2OS2	104	362	3.4	17	0	5	5	"InChI=1S/C12H10N2OS2/c1-16-12(14-9-13)17-8-7-11(15)10-5-3-2-4-6-10/h2-8H,1H3/b8-7+,14-12 "	CSC(=NC#N)S/C=C/C(=O)C1=CC=CC=C1	CJNJNNWNMMJZQB-BAHDFAMRSA-N
DG64375	"2-[(E)-[6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	9572735	NSC-725093; CHEMBL1910630; NSC725093	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725093	.	.	.	.	425.9	C15H16ClN7O4S	187	597	.	28	3	8	5	"InChI=1S/C15H15N7O4S.ClH/c1-25-11-6-9(22(23)24)12(26-2)5-8(11)13-10(7-18-20-14(16)17)21-3-4-27-15(21)19-13;/h3-7H,1-2H3,(H4,16,17,20);1H/b18-7+;"	COC1=CC(=C(C=C1C2=C(N3C=CSC3=N2)/C=N/N=C(N)N)OC)[N+](=O)[O-].Cl	BMSHXEIARYQJKV-CWSPIBBISA-N
DG64376	"N'-carbamimidoyl-6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride"	9572737	NSC725104; NSC-725104	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725104	.	.	.	.	380.9	C15H17ClN6O2S	152	504	.	25	4	5	5	"InChI=1S/C15H16N6O2S.ClH/c1-22-9-4-3-8(7-10(9)23-2)11-12(13(16)20-14(17)18)21-5-6-24-15(21)19-11;/h3-7H,1-2H3,(H5,16,17,18,20);1H"	COC1=C(C=C(C=C1)C2=C(N3C=CSC3=N2)/C(=N/C(=N)N)/N)OC.Cl	UAHSNMKLIOYNOW-UHFFFAOYSA-N
DG64377	NSC 109555 dimesylate	9573495	"NSC109555; NSC219749; 15427-93-7; NSC 109555 dimesylate; NSC-219749; 4,4'-Diacetyldiphenylurea bis(guanylhydrazone)ditosylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109555	.	.	.	.	504.6	C20H28N10O4S	257	725	.	35	7	8	6	"InChI=1S/C19H24N10O.CH4O3S/c1-11(26-28-17(20)21)13-3-7-15(8-4-13)24-19(30)25-16-9-5-14(6-10-16)12(2)27-29-18(22)23;1-5(2,3)4/h3-10H,1-2H3,(H4,20,21,28)(H4,22,23,29)(H2,24,25,30);1H3,(H,2,3,4)/b26-11+,27-12+;"	C/C(=N\\N=C(N)N)/C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)/C(=N/N=C(N)N)/C.CS(=O)(=O)O	LBLNHPYIFITUDF-NJFKTRIISA-N
DG64378	Actinomycin X4357G methoxime	9573583	NSC237671; ACTINOMYCIN X4357G METHOXIME; Actinomycin X4357g-methoxime; Actinomycin X4357 gamma-methoxime; NSC-237671	.	.	Investigative Drug(s)	Investigative	Small molecular drug	237671	.	.	.	.	1330.4	C63H87N13O19	418	3250	2	95	7	22	9	"InChI=1S/C63H87N13O19/c1-25(2)42-58(86)75-29(8)20-35(70-92-17)49(75)60(88)71(13)22-38(79)73(15)32(11)62(90)94-37(24-77)46(57(85)67-42)69-55(83)40-41(64)51(81)31(10)53-47(40)65-45-34(19-18-28(7)52(45)95-53)54(82)68-44-33(12)93-63(91)48(27(5)6)74(16)39(80)23-72(14)61(89)50-36(78)21-30(9)76(50)59(87)43(26(3)4)66-56(44)84/h18-19,25-27,29-30,32-33,36-37,42-44,46,48-50,77-78H,20-24,64H2,1-17H3,(H,66,84)(H,67,85)(H,68,82)(H,69,83)/b70-35+"	CC1CC(C2N1C(=O)C(NC(=O)C(C(OC(=O)C(N(C(=O)CN(C2=O)C)C)C(C)C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7/C(=N/OC)/CC(N7C(=O)C(NC6=O)C(C)C)C)C)C)C)CO)N)C)C(C)C)O	LKRXOOYADFIOCG-MLWWKLAPSA-N
DG64379	NSC266210	9573613	"N,N'-bis[(E)-1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]butanediamide; NSC266210; 70095-83-9; DTXSID30430492; NSC-266210; Butanedioic acid,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]hydrazide], dihydrochloride, [2S-[2.alpha.,2(2R*,4R*),4.alpha.]]-; Butanedioic acid,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]hydrazide], dihydrochloride, stereoisomer; Butanedioic acid,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	266210	.	.	.	.	1165.2	C58H64N6O20	421	2410	3.5	84	12	24	13	"InChI=1S/C58H64N6O20/c1-21-47(67)29(59)15-37(81-21)83-33-19-57(77,17-27-41(33)55(75)45-43(51(27)71)49(69)25-9-7-11-31(79-5)39(25)53(45)73)23(3)61-63-35(65)13-14-36(66)64-62-24(4)58(78)18-28-42(34(20-58)84-38-16-30(60)48(68)22(2)82-38)56(76)46-44(52(28)72)50(70)26-10-8-12-32(80-6)40(26)54(46)74/h7-12,21-22,29-30,33-34,37-38,47-48,67-68,71-72,75-78H,13-20,59-60H2,1-6H3,(H,63,65)(H,64,66)/b61-23+,62-24+"	CC1OC(CC(C1O)N)OC2C3=C(C(=C4C(=O)C5=C(C(=O)C4=C3O)C(=CC=C5)OC)O)CC(C2)(O)/C(=N/NC(=O)CCC(=O)N/N=C(/C6(CC7=C(C(=C8C(=O)C9=C(C(=O)C8=C7O)C=CC=C9OC)O)C(C6)OC1OC(C(C(C1)N)O)C)O)\\C)/C	ACPOUBCJPBQMFD-BCNBNTECSA-N
DG64380	NSC273432	9573626	"Hexanedioic acid,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]hydrazide], dihydrochloride; NSC273432; NSC-273432; 70074-19-0; Hexanedioic acid,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]hydrazide], dihydrochloride; Hexanedioic acid,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))-; Hexanedioic acid,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]hydrazide], dihydrochloride, [2S-[2.alpha.,2(2R*,4R*),4.alpha.]]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	273432	.	.	.	.	1193.2	C60H68N6O20	421	2440	4.2	86	12	24	15	"InChI=1S/C60H68N6O20/c1-23-49(69)31(61)17-39(83-23)85-35-21-59(79,19-29-43(35)57(77)47-45(53(29)73)51(71)27-11-9-13-33(81-5)41(27)55(47)75)25(3)63-65-37(67)15-7-8-16-38(68)66-64-26(4)60(80)20-30-44(36(22-60)86-40-18-32(62)50(70)24(2)84-40)58(78)48-46(54(30)74)52(72)28-12-10-14-34(82-6)42(28)56(48)76/h9-14,23-24,31-32,35-36,39-40,49-50,69-70,73-74,77-80H,7-8,15-22,61-62H2,1-6H3,(H,65,67)(H,66,68)/b63-25+,64-26+"	CC1OC(CC(C1O)N)OC2C3=C(C(=C4C(=O)C5=C(C(=O)C4=C3O)C(=CC=C5)OC)O)CC(C2)(O)/C(=N/NC(=O)CCCCC(=O)N/N=C(/C6(CC7=C(C(=C8C(=O)C9=C(C(=O)C8=C7O)C=CC=C9OC)O)C(C6)OC1OC(C(C(C1)N)O)C)O)\\C)/C	WWVGIBNAHCRGSA-JCAINFKWSA-N
DG64381	"1-[(E)-(2-bromo-4,5-dimethoxy-phenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid"	9574162	"NSC646101; CHEMBL2004905; NSC-646101; N1-Hydroxy-N3[(6-bromo-3,4-dimethoxybenzylidene)amino]guanidine tosylate; 1-[(E)-(2-bromo-4,5-dimethoxy-phenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid; Hydrazinecarboximidamide, 2-[(2-bromo-4,5-dimethoxyphenyl)methylene]-N-hydroxy-, mono(4-methylbenzenesulfonate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646101	.	.	.	.	489.3	C17H21BrN4O6S	164	520	.	29	4	8	6	"InChI=1S/C10H13BrN4O3.C7H8O3S/c1-17-8-3-6(5-13-14-10(12)15-16)7(11)4-9(8)18-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,16H,1-2H3,(H3,12,14,15);2-5H,1H3,(H,8,9,10)/b13-5+;"	CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=C(C(=C1)/C=N/N=C(\\N)/NO)Br)OC	YJXCQHUVUSAOOJ-CMZQJCRFSA-N
DG64382	1-[(E)-(2-chloro-3-hydroxy-4-methoxy-phenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid	9574172	NSC646106; CHEMBL1974668; NSC-646106; N1-Hydroxy-N3[(2-chloro-3-hydroxy-4-methoxybenzylidene)amino]guanidine tosylate; 1-[(E)-(2-chloro-3-hydroxy-4-methoxy-phenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646106	.	.	.	.	430.9	C16H19ClN4O6S	175	506	.	28	5	8	5	"InChI=1S/C9H11ClN4O3.C7H8O3S/c1-17-6-3-2-5(7(10)8(6)15)4-12-13-9(11)14-16;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,15-16H,1H3,(H3,11,13,14);2-5H,1H3,(H,8,9,10)/b12-4+;"	CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C(=C(C=C1)/C=N/N=C(\\N)/NO)Cl)O	KGBUQFVHVSEMGP-AQCBZIOHSA-N
DG64383	"1-[(E)-(2,4-dimethoxy-3-methyl-phenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid"	9574176	"NSC646108; CHEMBL1980951; NSC-646108; N1-Hydroxy-N3[(2,4-dimethoxy-3-methylbenzylidene)amino]guanidine tosylate; 1-[(E)-(2,4-dimethoxy-3-methyl-phenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646108	.	.	.	.	424.5	C18H24N4O6S	164	515	.	29	4	8	6	"InChI=1S/C11H16N4O3.C7H8O3S/c1-7-9(17-2)5-4-8(10(7)18-3)6-13-14-11(12)15-16;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,16H,1-3H3,(H3,12,14,15);2-5H,1H3,(H,8,9,10)/b13-6+;"	CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C(C=CC(=C1OC)/C=N/N=C(\\N)/NO)OC	HZBUELSLRDPRAD-AWFSDRIXSA-N
DG64384	Methyl 2-(1-(6-methyl-2-pyridinyl)ethylidene)hydrazinecarbodithioate	9574347	NSC600060; MLS002701730; CHEMBL1978699; ZINC8652438; NSC-600060; BRD-K08690662-001-01-2; Methyl 3-[1-[6-methyl-2-pyridyl]ethylidene]hydrazinecarbodithioate; Methyl 2-(1-(6-methyl-2-pyridinyl)ethylidene)hydrazinecarbodithioate; methyl N-[(E)-1-(6-methyl-2-pyridyl)ethylideneamino]carbamodithioate; Methyl (2E)-2-[1-(6-methyl-2-pyridinyl)ethylidene]hydrazinecarbodithioate #	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600060	.	.	.	.	239.4	C10H13N3S2	94.7	253	2.6	15	1	4	3	"InChI=1S/C10H13N3S2/c1-7-5-4-6-9(11-7)8(2)12-13-10(14)15-3/h4-6H,1-3H3,(H,13,14)/b12-8+"	CC1=NC(=CC=C1)/C(=N/NC(=S)SC)/C	FBWSJSWNFLLJJB-XYOKQWHBSA-N
DG64385	NSC642061	9574385	"[2-[(2Z)-2-[1-[(3-chloro-1,4-dioxo-2-naphthyl)carbamoyl]-2-cyano-2-[4-(4-nitrophenyl)thiazol-2-yl]ethylidene]hydrazino]-2-oxo-ethyl]-trimethyl-ammonium; NSC642061; CHEMBL2006071; NSC-642061; [2-[(2Z)-2-[1-[(3-chloro-1,4-dioxo-2-naphthyl)carbamoyl]-2-cyano-2-[4-(4-nitrophenyl)thiazol-2-yl]ethylidene]hydrazino]-2-oxo-ethyl]-trimethyl-ammonium; 2-[(2Z)-2-(2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]-1-{cyano[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methyl}-2-oxoethylidene)hydrazino]-N,N,N-trimethyl-2-oxoethanaminium chloride; Propanamide,4-dioxo-3-naphthalenyl)-3-cyano- 2-[2-[(trimethylamino)-1-oxoethyl]hydrazono]- 3-[4-(4-nitrophenyl)-2-thiazolyl]-, chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642061	.	.	.	.	656.5	C28H23Cl2N7O6S	215	1270	.	44	2	11	8	"InChI=1S/C28H22ClN7O6S.ClH/c1-36(2,3)13-21(37)33-34-23(27(40)32-24-22(29)25(38)17-6-4-5-7-18(17)26(24)39)19(12-30)28-31-20(14-43-28)15-8-10-16(11-9-15)35(41)42;/h4-11,14,19H,13H2,1-3H3,(H-,32,33,37,38,40);1H"	C[N+](C)(C)CC(=O)N/N=C(/C(C#N)C1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-])\\C(=O)NC3=C(C(=O)C4=CC=CC=C4C3=O)Cl.[Cl-]	YXKZPPBTPDQPQW-UHFFFAOYSA-N
DG64386	4-(2-pyridyl)-N-[(E)-1-pyrimidin-2-ylethylideneamino]piperazine-1-carbothioamide	9574395	"NSC374998; CHEMBL1971852; ZINC18190880; NSC-374998; 1-Piperazinecarbothioic acid, [1-(2-pyrimidinyl)ethylidene] hydrazide; 4-(2-Pyridinyl)-N'-[(E)-1-(2-pyrimidinyl)ethylidene]-1-piperazinecarbothiohydrazide #; 4-(2-pyridyl)-N-[(E)-1-pyrimidin-2-ylethylideneamino]piperazine-1-carbothioamide; 4-[2-Pyridyl]piperazine-1-carbothioic acid, 2-[1-[2-pyrimidyl]ethylidene]hydrazide; 4-Pyridin-2-yl-N'-[(1E)-1-pyrimidin-2-ylethylidene]piperazine-1-carbothiohydrazide; 4-(2-PYRIDINYL)-1-PIPERAZINECARBOTHIOIC ACID, [1-(2-PYRIMIDINYL)ETHYLIDINE]HYDRAZIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	374998	.	.	.	.	341.4	C16H19N7S	102	442	1.5	24	1	6	3	"InChI=1S/C16H19N7S/c1-13(15-18-7-4-8-19-15)20-21-16(24)23-11-9-22(10-12-23)14-5-2-3-6-17-14/h2-8H,9-12H2,1H3,(H,21,24)/b20-13+"	C/C(=N\\NC(=S)N1CCN(CC1)C2=CC=CC=N2)/C3=NC=CC=N3	JLEOLHIYYWXFTJ-DEDYPNTBSA-N
DG64387	"Imidazo[1,2-a]pyridinium der. with 4-methylbenzenesulfonic acid (1:2)"	9574596	"NSC370656; Imidazo[1,2-a]pyridinium der. with 4-methylbenzenesulfonic acid (1:2); 2-(4-(2-aza-2-(4-(1-aza-2-(4-(1-methylimidazolo[1,2-a]azin-2-yl)phenyl)vinyl)piperazinyl)vinyl)phenyl)-1-methylimidazolo[1,2-a]azine, salt with 4-methylbenzenesulfonic acid (1:2); 4-methylbenzenesulfonic acid; 1-[4-(1-methylimidazo[1,2-a]pyridin-1-ium-2-yl)phenyl]-N-[4-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-1-ium-2-yl)phenyl]methyleneamino]piperazin-1-yl]methanimine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	370656	.	.	.	.	897.1	C48H48N8O6S2	180	1040	.	64	0	10	6	"InChI=1S/C34H34N8.2C7H8O3S/c1-37-31(25-39-17-5-3-7-33(37)39)29-13-9-27(10-14-29)23-35-41-19-21-42(22-20-41)36-24-28-11-15-30(16-12-28)32-26-40-18-6-4-8-34(40)38(32)2;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-18,23-26H,19-22H2,1-2H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2/b35-23+,36-24+;;"	CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C(=C[N+]2=CC=CC=C12)C3=CC=C(C=C3)/C=N/N4CCN(CC4)/N=C/C5=CC=C(C=C5)C6=C[N+]7=CC=CC=C7N6C	ISLMQQJPZDUNPW-GLGPYLFJSA-L
DG64388	Ethyl 4-(3-(benzylideneamino)-4-{[4-(ethoxycarbonyl)phenyl]imino}-2-imino-5-thioxoimidazolidin-1-yl)benzoate	9574762	"NSC671404; ethyl 4-(3-(benzylideneamino)-4-{[4-(ethoxycarbonyl)phenyl]imino}-2-imino-5-thioxoimidazolidin-1-yl)benzoate; MLS000549213; CHEMBL1969747; CHEMBL2369281; ZINC73368940; ZINC103711705; NSC-671404; SMR000115356; AN-689/41741114; Benzoic acid, 4-[(4Z)-4-[[4-(ethoxycarbonyl)phenyl]imino]-2-imino-3-[[(1E)-phenylmethylene]amino]-5-thioxo-1-imidazolidinyl]-, ethyl ester; ethyl 4-[(Z)-[3-[(E)-benzylideneamino]-1-(4-ethoxycarbonylphenyl)-2-imino-5-thioxo-imidazolidin-4-ylidene]amino]benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671404	.	.	.	.	527.6	C28H25N5O4S	140	932	5.6	38	1	8	10	"InChI=1S/C28H25N5O4S/c1-3-36-26(34)20-10-14-22(15-11-20)31-24-25(38)32(23-16-12-21(13-17-23)27(35)37-4-2)28(29)33(24)30-18-19-8-6-5-7-9-19/h5-18,29H,3-4H2,1-2H3/b29-28 ,30-18+,31-24 "	CCOC(=O)C1=CC=C(C=C1)N=C2C(=S)N(C(=N)N2/N=C/C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OCC	PPWWMEHILXUKFM-MZKVBFHMSA-N
DG64389	(5Z)-2-imino-3-phenyl-5-phenylimino-1-[(E)-2-pyridylmethyleneamino]imidazolidine-4-thione	9574763	"NSC671405; CHEMBL2000855; ZINC17255851; NSC-671405; (5Z)-2-imino-3-phenyl-5-phenylimino-1-[(E)-2-pyridylmethyleneamino]imidazolidine-4-thione; 4-Imidazolidinethione, 2-imino-3-phenyl-5-(phenylimino)-1-[[(1E)-2-pyridinylmethylene]amino]-, (5Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671405	.	.	.	.	384.5	C21H16N6S	100	633	4.4	28	1	5	4	"InChI=1S/C21H16N6S/c22-21-26(18-12-5-2-6-13-18)20(28)19(25-16-9-3-1-4-10-16)27(21)24-15-17-11-7-8-14-23-17/h1-15,22H/b22-21 ,24-15+,25-19 "	C1=CC=C(C=C1)N=C2C(=S)N(C(=N)N2/N=C/C3=CC=CC=N3)C4=CC=CC=C4	IWAGBPSMUGVYPU-PRSDJWIOSA-N
DG64390	NSC658485	9574807	"(NE)-N-[(4Z)-4-[(2,4-dichlorophenyl)methylene]-1-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]-3-methyl-5-oxo-imidazolidin-2-ylidene]acetamide; NSC658485; CHEMBL1970400; ZINC31852856; ZINC104301960; NSC-658485; (NE)-N-[(4Z)-4-[(2,4-dichlorophenyl)methylene]-1-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]-3-methyl-5-oxo-imidazolidin-2-ylidene]acetamide; Acetamide, N-[(2E,4Z)-4-[(2,4-dichlorophenyl)methylene]-1-[(Z)-(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]-3-methyl-5-oxo-2-imidazolidinylidene]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658485	.	.	.	.	484.3	C23H15Cl2N3O5	96.4	975	4	33	0	5	2	"InChI=1S/C23H15Cl2N3O5/c1-12(29)26-23-27(2)18(9-13-7-8-14(24)10-17(13)25)21(31)28(23)11-16-20(30)15-5-3-4-6-19(15)33-22(16)32/h3-11H,1-2H3/b16-11-,18-9-,26-23 "	CC(=O)N=C1N(/C(=C\\C2=C(C=C(C=C2)Cl)Cl)/C(=O)N1/C=C\\3/C(=O)C4=CC=CC=C4OC3=O)C	NJPVKXDGHZNBHC-XOOCMLMRSA-N
DG64391	NSC658490	9574808	"(NE)-N-[(4Z)-4-[(2,3-dichlorophenyl)methylene]-1-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]-3-methyl-5-oxo-imidazolidin-2-ylidene]acetamide; NSC658490; CHEMBL1993403; ZINC31852861; ZINC104301987; NSC-658490; (NE)-N-[(4Z)-4-[(2,3-dichlorophenyl)methylene]-1-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]-3-methyl-5-oxo-imidazolidin-2-ylidene]acetamide; Acetamide, N-[(2E,4Z)-4-[(2,3-dichlorophenyl)methylene]-1-[(Z)-(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]-3-methyl-5-oxo-2-imidazolidinylidene]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658490	.	.	.	.	484.3	C23H15Cl2N3O5	96.4	975	4	33	0	5	2	"InChI=1S/C23H15Cl2N3O5/c1-12(29)26-23-27(2)17(10-13-6-5-8-16(24)19(13)25)21(31)28(23)11-15-20(30)14-7-3-4-9-18(14)33-22(15)32/h3-11H,1-2H3/b15-11-,17-10-,26-23 "	CC(=O)N=C1N(/C(=C\\C2=C(C(=CC=C2)Cl)Cl)/C(=O)N1/C=C\\3/C(=O)C4=CC=CC=C4OC3=O)C	UKXVCJGUOQNXLD-UPNRPPMLSA-N
DG64392	NSC658492	9574810	"(NE)-N-[(4Z)-4-[(3,4-dimethoxyphenyl)methylene]-1-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]-3-methyl-5-oxo-imidazolidin-2-ylidene]acetamide; NSC658492; CHEMBL1990738; ZINC31852880; ZINC104302008; NSC-658492; (NE)-N-[(4Z)-4-[(3,4-dimethoxyphenyl)methylene]-1-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]-3-methyl-5-oxo-imidazolidin-2-ylidene]acetamide; Acetamide, N-[(2E,4Z)-4-[(3,4-dimethoxyphenyl)methylene]-1-[(Z)-(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]-3-methyl-5-oxo-2-imidazolidinylidene]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658492	.	.	.	.	475.4	C25H21N3O7	115	1000	2.7	35	0	7	4	"InChI=1S/C25H21N3O7/c1-14(29)26-25-27(2)18(11-15-9-10-20(33-3)21(12-15)34-4)23(31)28(25)13-17-22(30)16-7-5-6-8-19(16)35-24(17)32/h5-13H,1-4H3/b17-13-,18-11-,26-25 "	CC(=O)N=C1N(/C(=C\\C2=CC(=C(C=C2)OC)OC)/C(=O)N1/C=C\\3/C(=O)C4=CC=CC=C4OC3=O)C	BCBYRGIBXNMMSF-MWFAYXFGSA-N
DG64393	"N-[4-(2-Chloro-benzylidene)-1-(2,4-dioxo-chroman-3-ylidenemethyl)-3-methyl-5-oxo-imidazolidin-2-ylidene]-acetamide"	9574811	"NSC658494; CHEMBL2004321; ZINC31852884; ZINC104302025; NSC-658494; (NE)-N-[(4Z)-4-[(2-chlorophenyl)methylene]-1-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]-3-methyl-5-oxo-imidazolidin-2-ylidene]acetamide; N-[4-(2-Chloro-benzylidene)-1-(2,4-dioxo-chroman-3-ylidenemethyl)-3-methyl-5-oxo-imidazolidin-2-ylidene]-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658494	.	.	.	.	449.8	C23H16ClN3O5	96.4	940	3.4	32	0	5	2	"InChI=1S/C23H16ClN3O5/c1-13(28)25-23-26(2)18(11-14-7-3-5-9-17(14)24)21(30)27(23)12-16-20(29)15-8-4-6-10-19(15)32-22(16)31/h3-12H,1-2H3/b16-12-,18-11-,25-23 "	CC(=O)N=C1N(/C(=C\\C2=CC=CC=C2Cl)/C(=O)N1/C=C\\3/C(=O)C4=CC=CC=C4OC3=O)C	JPGQVJYUUXYLIE-DSSLYWTHSA-N
DG64394	"Imidazo[1,2-a]pyridine-6-carboxaldehyde, 2-[4-[[(4,5-dihydro-1H-imidazol-2-yl)hydrazono]methyl]phenyl]-"	9574819	"NSC375162; Imidazo[1,2-a]pyridine-6-carboxaldehyde, 2-[4-[[(4,5-dihydro-1H-imidazol-2-yl)hydrazono]methyl]phenyl]-; N-[(E)-[4-[6-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazono)methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]methyleneamino]-4,5-dihydro-1H-imidazol-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	375162	.	.	.	.	670.3	C21H24I2N10	115	724	.	33	6	5	7	"InChI=1S/C21H22N10.2HI/c1-4-17(5-2-15(1)11-26-29-20-22-7-8-23-20)18-14-31-13-16(3-6-19(31)28-18)12-27-30-21-24-9-10-25-21;;/h1-6,11-14H,7-10H2,(H2,22,23,29)(H2,24,25,30);2*1H/b26-11+,27-12+;;"	C1CN=C(N1)N/N=C/C2=CC=C(C=C2)C3=CN4C=C(C=CC4=N3)/C=N/NC5=NCCN5.I.I	SMWZVPYJYKTRCH-XMDRLFCYSA-N
DG64395	"4-[(E)-(2-chlorophenyl)methyleneamino]-3-ethyl-1H-1,2,4-triazol-5-one"	9574950	"NSC680862; CHEMBL2003904; NSC-680862; 4-[(E)-(2-chlorophenyl)methyleneamino]-3-ethyl-1H-1,2,4-triazol-5-one; 3H-1,2,4-Triazol-3-one, 4-[[(1E)-(2-chlorophenyl)methylene]amino]-5-ethyl-2,4-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680862	.	.	.	.	250.68	C11H11ClN4O	57.1	355	2.1	17	1	3	3	"InChI=1S/C11H11ClN4O/c1-2-10-14-15-11(17)16(10)13-7-8-5-3-4-6-9(8)12/h3-7H,2H2,1H3,(H,15,17)/b13-7+"	CCC1=NNC(=O)N1/N=C/C2=CC=CC=C2Cl	WVODHJCZZFEZTR-NTUHNPAUSA-N
DG64396	"3-benzyl-4-[(E)-(2-chlorophenyl)methyleneamino]-1H-1,2,4-triazol-5-one"	9574951	"NSC681538; CHEMBL1990196; NSC-681538; 3-benzyl-4-[(E)-(2-chlorophenyl)methyleneamino]-1H-1,2,4-triazol-5-one; 3H-1,2,4-Triazol-3-one, 4-[[(1E)-(2-chlorophenyl)methylene]amino]-2,4-dihydro-5-(phenylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681538	.	.	.	.	312.75	C16H13ClN4O	57.1	459	3.2	22	1	3	4	"InChI=1S/C16H13ClN4O/c17-14-9-5-4-8-13(14)11-18-21-15(19-20-16(21)22)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,20,22)/b18-11+"	C1=CC=C(C=C1)CC2=NNC(=O)N2/N=C/C3=CC=CC=C3Cl	IEILFYPIEAQFDQ-WOJGMQOQSA-N
DG64397	N'-[(E)-benzothiophen-2-ylmethyleneamino]pyrazine-2-carboxamidine	9575101	NSC709089; CHEMBL1983159; NSC-709089; 2-Pyrazinecarbox-N-(2-benzothienylmethylene)amidrazone; N'-[(E)-benzothiophen-2-ylmethyleneamino]pyrazine-2-carboxamidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709089	.	.	.	.	281.34	C14H11N5S	105	384	2.3	20	1	5	3	"InChI=1S/C14H11N5S/c15-14(12-9-16-5-6-17-12)19-18-8-11-7-10-3-1-2-4-13(10)20-11/h1-9H,(H2,15,19)/b18-8+"	C1=CC=C2C(=C1)C=C(S2)/C=N/N=C(/C3=NC=CN=C3)\\N	VHBBABWHQDVYQH-QGMBQPNBSA-N
DG64398	"N'-[(E)-1,3-benzoxazol-2-ylmethyleneamino]pyrazine-2-carboxamidine"	9575105	"NSC709090; CHEMBL1968049; NSC-709090; 2-Pyrazinecarbox-N-(2-benzoxazolylmethylene)amidrazone; N'-[(E)-1,3-benzoxazol-2-ylmethyleneamino]pyrazine-2-carboxamidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709090	.	.	.	.	266.26	C13H10N6O	103	385	1.1	20	1	6	3	"InChI=1S/C13H10N6O/c14-13(10-7-15-5-6-16-10)19-17-8-12-18-9-3-1-2-4-11(9)20-12/h1-8H,(H2,14,19)/b17-8+"	C1=CC=C2C(=C1)N=C(O2)/C=N/N=C(/C3=NC=CN=C3)\\N	AJGIVPALLOUAFZ-CAOOACKPSA-N
DG64399	Gimatecan	9577124	"Gimatecan; 292618-32-7; UNII-7KKS9R192F; ST 1481; ST1481; 7KKS9R192F; Gimatecan [INN]; (19S)-19-ethyl-19-hydroxy-10-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-11-carboxaldehyde, 4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-, 11-(O-(1,1-dimethylethyl)oxime), (C(E),4S)-; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-11-carboxaldehyde, 4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-, 11-[O-(1,1-dimethylethyl)oxime], [C(E),4S]-; LBQ707; 7-t-Butoxyiminomethylcamptothecin; CPT 184; LBQ 707; LBQ-707; 7-tert-Butoxyiminomethylcamptothecin; ST-1481; DSSTox_CID_31491; DSSTox_RID_97376; DSSTox_GSID_57702; (4S)-11-((E)-((1,1-DImethylethoxy)imino)methyl)-4-ethyl-4-hydroxy-1,12-dihydro-14H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H)-dione; SCHEMBL130586; CHEMBL113051; DTXSID0057702; CPT-184; HY-B0063; Tox21_113726; NSC793724; DB06721; NSC-793724; NCGC00253588-01; 292620-90-7; CAS-292618-32-7; CS-0006524; 618G327; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-11-carboxaldehyde, 4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-, 11-(O-(1,1-dimethylethyl)oxime), (4S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	793724	.	.	.	.	447.5	C25H25N3O5	101	948	2	33	1	7	4	"InChI=1S/C25H25N3O5/c1-5-25(31)18-10-20-21-16(12-28(20)22(29)17(18)13-32-23(25)30)15(11-26-33-24(2,3)4)14-8-6-7-9-19(14)27-21/h6-11,31H,5,12-13H2,1-4H3/b26-11+/t25-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N/OC(C)(C)C)O	UIVFUQKYVFCEKJ-OPTOVBNMSA-N
DG64400	"4-Amino-2-((4-methoxybenzylidene)amino)-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile"	9578738	"NSC697047; CHEMBL1966124; NSC-697047; 4-Amino-2-((4-methoxybenzylidene)amino)-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile; 4-amino-2-[(E)-(4-methoxyphenyl)methyleneamino]-1,3-dioxo-6,7-diphenyl-isoindoline-5-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697047	.	.	.	.	472.5	C29H20N4O3	109	876	5.3	36	1	6	5	"InChI=1S/C29H20N4O3/c1-36-21-14-12-18(13-15-21)17-32-33-28(34)25-24(20-10-6-3-7-11-20)23(19-8-4-2-5-9-19)22(16-30)27(31)26(25)29(33)35/h2-15,17H,31H2,1H3/b32-17+"	COC1=CC=C(C=C1)/C=N/N2C(=O)C3=C(C(=C(C(=C3C2=O)N)C#N)C4=CC=CC=C4)C5=CC=CC=C5	QCPLFIMBHQCIBJ-VTNSRFBWSA-N
DG64401	"Azepane-1-carbothioyl-(9-chloro-7-methyl-1,8-diazonia-9$l^{3}-cuprabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-8-yl)azanide"	9578788	"NSC324979; azepane-1-carbothioyl-(9-chloro-7-methyl-1,8-diazonia-9$l^{3}-cuprabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-8-yl)azanide; Copper, {chloro[hexahydro-1H-azepine-1-carbothioic} acid {[1-(2-pyridinyl)ethylidene]hydrazidato]-,} (SP-4-3)-; Copper, chloro[hexahydro-1H-azepine-1-carbothioic acid [1-(2-pyridinyl)ethylidene]hydrazidato]-, (SP-4-3)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	324979	.	.	.	.	374.4	C14H19ClCuN4S-	41.8	344	.	21	0	4	2	"InChI=1S/C14H20N4S.ClH.Cu/c1-12(13-8-4-5-9-15-13)16-17-14(19)18-10-6-2-3-7-11-18;;/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,17,19);1H;/q;;+1/p-2/b16-12+;;"	C/C(=N\\N=C(\\N1CCCCCC1)/[S-])/C2=CC=CC=N2.Cl[Cu]	ZAFCDPCAMTVGIS-LPMXOWGUSA-L
DG64402	"Iron, dichloro(hexahydro-1H-azepine-1-carbothioic acid (1-(2-pyridinyl)ethylidene)hydraziato)"	9578789	"82641-25-6; Iron, dichloro(hexahydro-1H-azepine-1-carbothioic acid (1-(2-pyridinyl)ethylidene)hydraziato); NSC 338304; Iron, dichloro[hexahydro-1H-azepine-1-carbothioic acid [1-(2-pyridinyl)ethylidene]hydraziato]; NSC338304; azepane-1-carbothioyl-(9,9-dichloro-7-methyl-1,8-diazonia-9$l^{4}-ferrabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-8-yl)azanide; Iron, {dichloro[hexahydro-1H-azepine-1-carbothioic} acid {[1-(2-pyridinyl)ethylidene]hydraziato]}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338304	.	.	.	.	402.1	C14H19Cl2FeN4S-	41.8	361	.	22	0	4	2	"InChI=1S/C14H20N4S.2ClH.Fe/c1-12(13-8-4-5-9-15-13)16-17-14(19)18-10-6-2-3-7-11-18;;;/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,17,19);2*1H;/q;;;+2/p-3/b16-12+;;;"	C/C(=N\\N=C(/N1CCCCCC1)\\[S-])/C2=CC=CC=N2.Cl[Fe]Cl	UAGKTCUFZIVLQS-SYBKDYESSA-K
DG64403	N-[(Z)-1-(2-pyridyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide; trichloroplatinum	9578793	NSC364433; N-[(Z)-1-(2-pyridyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide; trichloroplatinum	.	.	Investigative Drug(s)	Investigative	Small molecular drug	364433	.	.	.	.	603.9	C16H22Cl3N4PtS	72.6	395	.	25	1	3	2	"InChI=1S/C16H22N4S.3ClH.Pt/c1-12(15-4-2-3-9-17-15)18-19-16(21)20-10-13-5-6-14(11-20)8-7-13;;;;/h2-4,9,13-14H,5-8,10-11H2,1H3,(H,19,21);3*1H;/q;;;;+3/p-3/b18-12-;;;;"	C/C(=N/NC(=S)N1CC2CCC(C1)CC2)/C3=CC=CC=N3.Cl[Pt](Cl)Cl	RBYQSSRKPYJAJV-QBRLXWTBSA-K
DG64404	dichloroplatinum; methyl N-[(E)-1-isoquinolylmethyleneamino]carbamodithioate	9578810	"NSC614802; dichloroplatinum; methyl N-[(E)-1-isoquinolylmethyleneamino]carbamodithioate; Hydrazinecarbodithioic acid, 2-(1-isoquinolinylmethylene)-, methyl ester, (2E)-, compd. with dichloroplatinum (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614802	.	.	.	.	527.4	C12H11Cl2N3PtS2	94.7	296	.	20	1	4	3	"InChI=1S/C12H11N3S2.2ClH.Pt/c1-17-12(16)15-14-8-11-10-5-3-2-4-9(10)6-7-13-11;;;/h2-8H,1H3,(H,15,16);2*1H;/q;;;+2/p-2/b14-8+;;;"	CSC(=S)N/N=C/C1=NC=CC2=CC=CC=C21.Cl[Pt]Cl	ZUECWGKBUXIIED-ORHNGELRSA-L
DG64405	N-[(E)-[phenyl(2-pyridyl)methylene]amino]pyridin-2-amine; trichloroiron	9578814	"NSC625539; Iron, {trichloro[phenyl-2-pyridinylmethanone(2-pyridinyl-hydrazonato)]-}; Iron, trichloro[phenyl-2-pyridinylmethanone(2-pyridinyl-hydrazonato)]-; Methanone, phenyl-2-pyridinyl-, 2-pyridinylhydrazone, trichloroiron complex; N-[(E)-[phenyl(2-pyridyl)methylene]amino]pyridin-2-amine; trichloroiron"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625539	.	.	.	.	436.5	C17H14Cl3FeN4	50.2	344	.	25	1	4	4	"InChI=1S/C17H14N4.3ClH.Fe/c1-2-8-14(9-3-1)17(15-10-4-6-12-18-15)21-20-16-11-5-7-13-19-16;;;;/h1-13H,(H,19,20);3*1H;/q;;;;+3/p-3/b21-17+;;;;"	C1=CC=C(C=C1)/C(=N\\NC2=CC=CC=N2)/C3=CC=CC=N3.Cl[Fe](Cl)Cl	YZAJEUKVMUAHMS-CKMZVDQUSA-K
DG64406	dichlorocobalt; N-[(E)-[phenyl(2-pyridyl)methylene]amino]pyridin-2-amine	9578816	"NSC625541; dichlorocobalt; N-[(E)-[phenyl(2-pyridyl)methylene]amino]pyridin-2-amine; Methanone, phenyl-2-pyridinyl-, 2-pyridinylhydrazone, (E)-, compd. with dichlorocobalt (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625541	.	.	.	.	404.2	C17H14Cl2CoN4	50.2	338	.	24	1	4	4	"InChI=1S/C17H14N4.2ClH.Co/c1-2-8-14(9-3-1)17(15-10-4-6-12-18-15)21-20-16-11-5-7-13-19-16;;;/h1-13H,(H,19,20);2*1H;/q;;;+2/p-2/b21-17+;;;"	C1=CC=C(C=C1)/C(=N\\NC2=CC=CC=N2)/C3=CC=CC=N3.Cl[Co]Cl	AQGDPJGPUIOJBS-XQKVXRCISA-L
DG64407	dichlorocopper; N-[(E)-[phenyl(2-pyridyl)methylene]amino]pyridin-2-amine	9578818	"NSC625543; dichlorocopper; N-[(E)-[phenyl(2-pyridyl)methylene]amino]pyridin-2-amine; Methanone, phenyl-2-pyridinyl-, 2-pyridinylhydrazone, (E)-, compd. with dichlorocopper (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625543	.	.	.	.	408.8	C17H14Cl2CuN4	50.2	338	.	24	1	4	4	"InChI=1S/C17H14N4.2ClH.Cu/c1-2-8-14(9-3-1)17(15-10-4-6-12-18-15)21-20-16-11-5-7-13-19-16;;;/h1-13H,(H,19,20);2*1H;/q;;;+2/p-2/b21-17+;;;"	C1=CC=C(C=C1)/C(=N\\NC2=CC=CC=N2)/C3=CC=CC=N3.Cl[Cu]Cl	SCSYTJFEQZQZBD-XQKVXRCISA-L
DG64408	[6-[(E)-N-(3-azabicyclo[3.2.2]nonane-3-carbothioylamino)-C-methyl-carbonimidoyl]pyridazin-1-ium-1-yl]iron	9578851	"NSC633268; [6-[(E)-N-(3-azabicyclo[3.2.2]nonane-3-carbothioylamino)-C-methyl-carbonimidoyl]pyridazin-1-ium-1-yl]iron; 3-Azabicyclo[3.2.2]nonane-3-carbothioic acid, [(1E)-1-(3-pyridazinyl)ethylidene]hydrazide, iron(1+) salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633268	.	.	.	.	358.3	C15H20FeN5S-	54.7	406	.	22	0	5	3	"InChI=1S/C15H21N5S.Fe/c1-11(14-3-2-8-16-18-14)17-19-15(21)20-9-12-4-5-13(10-20)7-6-12;/h2-3,8,12-13H,4-7,9-10H2,1H3,(H,19,21);/p-1/b17-11+;"	C/C(=N\\N=C(\\N1CC2CCC(C1)CC2)/[S-])/C3=NN=CC=C3.[Fe]	OOAKJMXTFAHSBX-SJDTYFKWSA-M
DG64409	[6-[(E)-N-(3-azabicyclo[3.2.2]nonane-3-carbothioylamino)-C-methyl-carbonimidoyl]-3-methyl-pyridazin-1-ium-1-yl]iron	9578853	"NSC633270; [6-[(E)-N-(3-azabicyclo[3.2.2]nonane-3-carbothioylamino)-C-methyl-carbonimidoyl]-3-methyl-pyridazin-1-ium-1-yl]iron; 3-Azabicyclo[3.2.2]nonane-3-carbothioic acid, [(1E)-1-(6-methyl-3-pyridazinyl)ethylidene]hydrazide, iron(1+) salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633270	.	.	.	.	372.3	C16H22FeN5S-	54.7	434	.	23	0	5	3	"InChI=1S/C16H23N5S.Fe/c1-11-3-8-15(19-17-11)12(2)18-20-16(22)21-9-13-4-5-14(10-21)7-6-13;/h3,8,13-14H,4-7,9-10H2,1-2H3,(H,20,22);/p-1/b18-12+;"	CC1=NN=C(C=C1)/C(=N/N=C(/N2CC3CCC(C2)CC3)\\[S-])/C.[Fe]	KDINXJHTIDWLRX-XMMWENQYSA-M
DG64410	NSC633271	9578854	"3-Azabicyclo[3.2.2]nonane-3-carbothioyl-(3,7-dimethyl-2-aza-1,8-diazonia-9$l^{2}-cuprabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-8-yl)azanide; NSC633271; 3-azabicyclo[3.2.2]nonane-3-carbothioyl-(3,7-dimethyl-2-aza-1,8-diazonia-9$l^{2}-cuprabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-8-yl)azanide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633271	.	.	.	.	380	C16H22CuN5S-	54.7	434	.	23	0	5	2	"InChI=1S/C16H23N5S.Cu/c1-11-3-8-15(19-17-11)12(2)18-20-16(22)21-9-13-4-5-14(10-21)7-6-13;/h3,8,13-14H,4-7,9-10H2,1-2H3,(H,20,22);/p-1/b18-12+;"	CC1=NN=C(C=C1)/C(=N/N=C(/N2CC3CCC(C2)CC3)\\[S-])/C.[Cu]	CHZRYTZSUXLPRA-XMMWENQYSA-M
DG64411	[6-[(E)-N-(3-azabicyclo[3.2.2]nonane-3-carbothioylamino)-C-methyl-carbonimidoyl]pyrimidin-1-ium-1-yl]iron	9578857	"NSC633274; [6-[(E)-N-(3-azabicyclo[3.2.2]nonane-3-carbothioylamino)-C-methyl-carbonimidoyl]pyrimidin-1-ium-1-yl]iron; 3-Azabicyclo[3.2.2]nonane-3-carbothioic acid, [(1E)-1-(4-pyrimidinyl)ethylidene]hydrazide, iron(1+) salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633274	.	.	.	.	358.3	C15H20FeN5S-	54.7	406	.	22	0	5	3	"InChI=1S/C15H21N5S.Fe/c1-11(14-6-7-16-10-17-14)18-19-15(21)20-8-12-2-3-13(9-20)5-4-12;/h6-7,10,12-13H,2-5,8-9H2,1H3,(H,19,21);/p-1/b18-11+;"	C/C(=N\\N=C(\\N1CC2CCC(C1)CC2)/[S-])/C3=NC=NC=C3.[Fe]	FTFSVXVFMJMQSB-NWBUNABESA-M
DG64412	NSC633275	9578858	"3-Azabicyclo[3.2.2]nonane-3-carbothioyl-(7-methyl-3-aza-1,8-diazonia-9$l^{2}-cuprabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-8-yl)azanide; NSC633275; 3-Azabicyclo(3.2.2)nonan-3-ylcarbothioic acid, 1-(4-pyrimidinyl)ethylidene)hydrazide, copper complex; 3-azabicyclo[3.2.2]nonane-3-carbothioyl-(7-methyl-3-aza-1,8-diazonia-9$l^{2}-cuprabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-8-yl)azanide; Copper, [3-azabicyclo(3.2.2)nonan-3-ylcarbothioic acid[1-(4-pyrimidinyl)ethylidene)hydrazidato]]-; Copper, {[3-azabicyclo(3.2.2)nonan-3-ylcarbothioic} {acid[1-(4-pyrimidinyl)ethylidene)hydrazidato]]-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633275	.	.	.	.	366	C15H20CuN5S-	54.7	406	.	22	0	5	2	"InChI=1S/C15H21N5S.Cu/c1-11(14-6-7-16-10-17-14)18-19-15(21)20-8-12-2-3-13(9-20)5-4-12;/h6-7,10,12-13H,2-5,8-9H2,1H3,(H,19,21);/p-1/b18-11+;"	C/C(=N\\N=C(\\N1CC2CCC(C1)CC2)/[S-])/C3=NC=NC=C3.[Cu]	ICSWXWLEWPDCKC-NWBUNABESA-M
DG64413	[6-[(E)-(3-azabicyclo[3.2.2]nonane-3-carbothioylhydrazono)methyl]pyridazin-1-ium-1-yl]iron	9578859	"NSC633276; [6-[(E)-(3-azabicyclo[3.2.2]nonane-3-carbothioylhydrazono)methyl]pyridazin-1-ium-1-yl]iron; 3-Azabicyclo[3.2.2]nonane-3-carbothioic acid, [(1E)-3-pyridazinylmethylene]hydrazide, iron(1+) salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633276	.	.	.	.	344.24	C14H18FeN5S-	54.7	368	.	21	0	5	3	"InChI=1S/C14H19N5S.Fe/c20-14(18-16-8-13-2-1-7-15-17-13)19-9-11-3-4-12(10-19)6-5-11;/h1-2,7-8,11-12H,3-6,9-10H2,(H,18,20);/p-1/b16-8+;"	C1CC2CCC1CN(C2)/C(=N/N=C/C3=NN=CC=C3)/[S-].[Fe]	OKGPPKYFPSKJIM-OHGISNTKSA-M
DG64414	"bromocopper; 1,1-dimethyl-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea"	9578864	"NSC635448; bromocopper; 1,1-dimethyl-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea; Copper, bromo[2-[1-(2-pyridinyl)ethylidene][N, N-dimethyl-hydrazinecarbothioamidato-N,N,S]-; Hydrazinecarbothioamide, 2-[1-(2-pyridinyl)ethylidene]-N, N-dimethyl-, copper bromide complex"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635448	.	.	.	.	365.76	C10H14BrCuN4S	72.6	252	.	17	1	3	2	"InChI=1S/C10H14N4S.BrH.Cu/c1-8(9-6-4-5-7-11-9)12-13-10(15)14(2)3;;/h4-7H,1-3H3,(H,13,15);1H;/q;;+1/p-1/b12-8+;;"	C/C(=N\\NC(=S)N(C)C)/C1=CC=CC=N1.[Cu]Br	CEKOQJPIENAUKW-BPWZRWDXSA-M
DG64415	"chlorocopper; 1,1-dipropyl-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea"	9578865	"NSC635449; chlorocopper; 1,1-dipropyl-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea; Copper, chloro[2-[1-(2-pyridinyl)ethylidene][N,N-dipropyl-hydrazinecarbothioamidato-N,N,S]-; Hydrazinecarbothioamide, 2-[1-(2-pyridinyl)ethylidene]-N,N-dipropyl-, copper chloride complex"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635449	.	.	.	.	377.4	C14H22ClCuN4S	72.6	300	.	21	1	3	6	"InChI=1S/C14H22N4S.ClH.Cu/c1-4-10-18(11-5-2)14(19)17-16-12(3)13-8-6-7-9-15-13;;/h6-9H,4-5,10-11H2,1-3H3,(H,17,19);1H;/q;;+1/p-1/b16-12+;;"	CCCN(CCC)C(=S)N/N=C(\\C)/C1=CC=CC=N1.Cl[Cu]	ZKGVKGANNCHCIF-LPMXOWGUSA-M
DG64416	chlorocopper(1+); N-[(E)-1-(2-pyridyl)ethylideneamino]azepane-1-carbothioamide	9578866	"NSC635450; chlorocopper(1+); N-[(E)-1-(2-pyridyl)ethylideneamino]azepane-1-carbothioamide; 1H-Azepine-1-carbothioic acid, hexahydro-, [(1E)-1-(2-pyridinyl)ethylidene]hydrazide, compd. wiith copper(1+), chloro- (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635450	.	.	.	.	375.4	C14H20ClCuN4S+	72.6	323	.	21	1	3	2	"InChI=1S/C14H20N4S.ClH.Cu/c1-12(13-8-4-5-9-15-13)16-17-14(19)18-10-6-2-3-7-11-18;;/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,17,19);1H;/q;;+2/p-1/b16-12+;;"	C/C(=N\\NC(=S)N1CCCCCC1)/C2=CC=CC=N2.Cl[Cu+]	OCAZRLAYHZSEEW-LPMXOWGUSA-M
DG64417	"dibromocopper; 1,1-dipropyl-3-[(E)-2-pyridylmethyleneamino]thiourea"	9578867	"NSC635451; dibromocopper; 1,1-dipropyl-3-[(E)-2-pyridylmethyleneamino]thiourea; Hydrazinecarbothioamide, 2-[(2-pyridinyl)methylene]-N,N-dipropyl-, copper dibromide complex; Cuprate(1-), dibromo[2-[(2-pyridinyl)methylene][N,N-dipropylhydrazinecarbothioamidato-N,N,S]-, hydrogen"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635451	.	.	.	.	487.75	C13H20Br2CuN4S	72.6	265	.	21	1	3	6	"InChI=1S/C13H20N4S.2BrH.Cu/c1-3-9-17(10-4-2)13(18)16-15-11-12-7-5-6-8-14-12;;;/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,18);2*1H;/q;;;+2/p-2/b15-11+;;;"	CCCN(CCC)C(=S)N/N=C/C1=CC=CC=N1.[Cu](Br)Br	XWZMJEKWSUMDDX-AKHNGERGSA-L
DG64418	"dichlorocopper; 1,1-dimethyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea"	9578889	"NSC647133; dichlorocopper; 1,1-dimethyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea; Hydrazinecarbothioamide, N,N-dimethyl-2-[(6-methyl-2-pyridinyl)methylene]-, (2E)-, compd. with dichlorocopper (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647133	.	.	.	.	356.8	C10H14Cl2CuN4S	72.6	242	.	18	1	3	2	"InChI=1S/C10H14N4S.2ClH.Cu/c1-8-5-4-6-9(12-8)7-11-13-10(15)14(2)3;;;/h4-7H,1-3H3,(H,13,15);2*1H;/q;;;+2/p-2/b11-7+;;;"	CC1=NC(=CC=C1)/C=N/NC(=S)N(C)C.Cl[Cu]Cl	UIOVDNOMRWRYAN-DLEJXUKQSA-L
DG64419	"[(5E)-2,3,4-triacetoxy-5-[acetyl-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]sulfonyl-hydrazono]pentyl] acetate"	9579059	"NSC683764; NSC683763; CHEMBL1976291; NSC-683764; [(5E)-2,3,4-triacetoxy-5-[acetyl-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]sulfonyl-hydrazono]pentyl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683764	.	.	.	.	624.6	C25H28N4O13S	239	1300	-0.3	43	2	14	16	"InChI=1S/C25H28N4O13S/c1-13(30)29(43(37,38)19-8-6-18(7-9-19)10-20-24(35)28-25(36)27-20)26-11-21(40-15(3)32)23(42-17(5)34)22(41-16(4)33)12-39-14(2)31/h6-11,21-23H,12H2,1-5H3,(H2,27,28,35,36)/b20-10-,26-11+"	CC(=O)N(/N=C/C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)S(=O)(=O)C1=CC=C(C=C1)/C=C\\2/C(=O)NC(=O)N2	PTKZKUXFGJMTHX-QIJBAEMQSA-N
DG64420	"N'-(5-formyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfonyl-N,N-dimethylmethanimidamide"	9601322	NSC699666; CHEMBL1989364; NSC-699666	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699666	.	.	.	.	363.4	C14H13N5O3S2	134	586	1.9	24	0	7	5	"InChI=1S/C14H13N5O3S2/c1-18(2)9-15-24(21,22)14-17-19-11(8-20)12(16-13(19)23-14)10-6-4-3-5-7-10/h3-9H,1-2H3/b15-9+"	CN(C)/C=N/S(=O)(=O)C1=NN2C(=C(N=C2S1)C3=CC=CC=C3)C=O	FIIFFYLAGZRXJM-OQLLNIDSSA-N
DG64421	"N'-[5-formyl-6-(2-oxochromen-3-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide"	9601323	NSC699669; CHEMBL2005005; NSC-699669	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699669	.	.	.	.	431.5	C17H13N5O5S2	160	840	1.9	29	0	9	5	"InChI=1S/C17H13N5O5S2/c1-21(2)9-18-29(25,26)17-20-22-12(8-23)14(19-16(22)28-17)11-7-10-5-3-4-6-13(10)27-15(11)24/h3-9H,1-2H3/b18-9+"	CN(C)/C=N/S(=O)(=O)C1=NN2C(=C(N=C2S1)C3=CC4=CC=CC=C4OC3=O)C=O	LXYWIOXQGRZBOI-GIJQJNRQSA-N
DG64422	"N'-[5-formyl-6-[5-(4-nitrophenyl)furan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide"	9601324	NSC699670; CHEMBL1990688; NSC-699670	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699670	.	.	.	.	474.5	C18H14N6O6S2	193	838	2.5	32	0	10	6	"InChI=1S/C18H14N6O6S2/c1-22(2)10-19-32(28,29)18-21-23-13(9-25)16(20-17(23)31-18)15-8-7-14(30-15)11-3-5-12(6-4-11)24(26)27/h3-10H,1-2H3/b19-10+"	CN(C)/C=N/S(=O)(=O)C1=NN2C(=C(N=C2S1)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C=O	ULLRDSBDZSEJER-VXLYETTFSA-N
DG64423	"N'-[5-formyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide"	9601325	NSC699671; CHEMBL1972208; NSC-699671	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699671	.	.	.	.	439.5	C20H17N5O3S2	134	727	3.5	30	0	7	6	"InChI=1S/C20H17N5O3S2/c1-24(2)13-21-30(27,28)20-23-25-17(12-26)18(22-19(25)29-20)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,1-2H3/b21-13+"	CN(C)/C=N/S(=O)(=O)C1=NN2C(=C(N=C2S1)C3=CC=C(C=C3)C4=CC=CC=C4)C=O	MIULDYSRBPMQEI-FYJGNVAPSA-N
DG64424	"1-Piperidinecarbothioic acid, 2-ethyl-, (1-(2-pyridinyl)ethylidene)hydrazide"	9602153	"MLS003170673; 71555-32-3; NSC326061; DTXSID90430610; 1-Piperidinecarbothioic acid, 2-ethyl-, (1-(2-pyridinyl)ethylidene)hydrazide; NSC-326061; 1-Piperidinecarbothioic acid, [1-(2-pyridinyl)ethylidene]hydrazide; 1-Piperidinecarbothioic acid, [1-(2-pyridinyl)ethylidine]hydrazide; 2-Ethylpiperidinethiocarboxylic acid 2-[1-[2-pyridyl]ethylidene]hydrazide; 1-Piperidinecarbothioic acid, 2-ethyl-, (1-(2-pyridinyl)ethylidine)hydrazide; 2-Ethyl-N'-[(E)-1-(2-pyridinyl)ethylidene]-1-piperidinecarbothiohydrazide #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	326061	.	.	.	.	290.4	C15H22N4S	72.6	356	3.1	20	1	3	3	"InChI=1S/C15H22N4S/c1-3-13-8-5-7-11-19(13)15(20)18-17-12(2)14-9-4-6-10-16-14/h4,6,9-10,13H,3,5,7-8,11H2,1-2H3,(H,18,20)/b17-12+"	CCC1CCCCN1C(=S)N/N=C(\\C)/C2=CC=CC=N2	MZACWVULBYILQW-SFQUDFHCSA-N
DG64425	"1-(3-methoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine"	9604911	GW784752X; CHEMBL306865; SCHEMBL8344352; HMS3304D01; HMS3305G12; BDBM50219339; NSC756350; NSC-756350; AB01092393-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756350	.	.	.	.	345.4	C18H15N7O	90.1	471	2.7	26	1	7	5	"InChI=1S/C18H15N7O/c1-26-15-4-2-3-14(9-15)25-18-16(11-23-25)17(20-12-21-18)24-22-10-13-5-7-19-8-6-13/h2-12H,1H3,(H,20,21,24)/b22-10+"	COC1=CC=CC(=C1)N2C3=NC=NC(=C3C=N2)N/N=C/C4=CC=NC=C4	PVIMTNAWPMEBAK-LSHDLFTRSA-N
DG64426	"7-(3-methoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]-5H-pyrrolo[3,2-d]pyrimidin-4-amine"	9604912	GW814408X; CHEMBL206010; SCHEMBL18330739; HMS3303G04; NSC756377; NSC-756377; AB01092395-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756377	.	.	.	.	344.4	C19H16N6O	88.1	469	2.9	26	2	6	5	"InChI=1S/C19H16N6O/c1-26-15-4-2-3-14(9-15)16-11-21-18-17(16)22-12-23-19(18)25-24-10-13-5-7-20-8-6-13/h2-12,21H,1H3,(H,22,23,25)/b24-10+"	COC1=CC=CC(=C1)C2=CNC3=C2N=CN=C3N/N=C/C4=CC=NC=C4	YMOZGQKWFWKZJV-YSURURNPSA-N
DG64427	"1-[3-(propylamino)phenyl]-N-[(E)-pyridin-4-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine"	9604926	GW794607X; CHEMBL67241; HMS3303D20; HMS3305P07; NSC756355; NSC-756355; AB01092279-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756355	.	.	.	.	372.4	C20H20N8	92.9	495	3.6	28	2	7	7	"InChI=1S/C20H20N8/c1-2-8-22-16-4-3-5-17(11-16)28-20-18(13-26-28)19(23-14-24-20)27-25-12-15-6-9-21-10-7-15/h3-7,9-14,22H,2,8H2,1H3,(H,23,24,27)/b25-12+"	CCCNC1=CC(=CC=C1)N2C3=NC=NC(=C3C=N2)N/N=C/C4=CC=NC=C4	UUZWUKJJOLIQMT-BRJLIKDPSA-N
DG64428	Pyrazolopyrimidine 2	9604948	GW811168X; PYRAZOLOPYRIMIDINE 2; CHEMBL66292; SCHEMBL8342670; HMS3303J24; HMS3305E12; BDBM50219327; NSC756374; NSC-756374; AB01092281-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756374	.	.	.	.	422.5	C20H18N6O3S	120	691	3	30	1	8	6	"InChI=1S/C20H18N6O3S/c1-29-16-5-3-4-15(10-16)26-20-18(12-24-26)19(21-13-22-20)25-23-11-14-6-8-17(9-7-14)30(2,27)28/h3-13H,1-2H3,(H,21,22,25)/b23-11+"	COC1=CC=CC(=C1)N2C3=NC=NC(=C3C=N2)N/N=C/C4=CC=C(C=C4)S(=O)(=O)C	WKJFLAJZSWRICW-FOKLQQMPSA-N
DG64429	"1-(3-methoxyphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine"	9604958	GW829877X; CHEMBL303687; HMS3304B01; HMS3305O16; NSC756394; NSC-756394; AB01092285-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756394	.	.	.	.	358.4	C20H18N6O	77.2	495	4.1	27	1	6	5	"InChI=1S/C20H18N6O/c1-14-6-8-15(9-7-14)11-23-25-19-18-12-24-26(20(18)22-13-21-19)16-4-3-5-17(10-16)27-2/h3-13H,1-2H3,(H,21,22,25)/b23-11+"	CC1=CC=C(C=C1)/C=N/NC2=C3C=NN(C3=NC=N2)C4=CC(=CC=C4)OC	QRNLICFNSFQHBO-FOKLQQMPSA-N
DG64430	"N-[2-(dimethylamino)ethyl]-4-[(E)-[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzamide"	9604962	CHEMBL67374; BDBM50219005; NSC756348; NSC-756348; AB01092278-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756348	.	.	.	.	458.5	C24H26N8O2	110	669	3.1	34	2	8	9	"InChI=1S/C24H26N8O2/c1-31(2)12-11-25-24(33)18-9-7-17(8-10-18)14-28-30-22-21-15-29-32(23(21)27-16-26-22)19-5-4-6-20(13-19)34-3/h4-10,13-16H,11-12H2,1-3H3,(H,25,33)(H,26,27,30)/b28-14+"	CN(C)CCNC(=O)C1=CC=C(C=C1)/C=N/NC2=C3C=NN(C3=NC=N2)C4=CC(=CC=C4)OC	PGJTVDLNKJZVEU-CCVNUDIWSA-N
DG64431	"1-(3-methoxyphenyl)-3-methyl-N-[(E)-1-pyridin-4-ylethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine"	9604970	GW809885X; CHEMBL442363; HMS3303A04; HMS3305L14; NSC756370; NSC-756370; AB01092280-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756370	.	.	.	.	373.4	C20H19N7O	90.1	539	3.3	28	1	7	5	"InChI=1S/C20H19N7O/c1-13(15-7-9-21-10-8-15)24-25-19-18-14(2)26-27(20(18)23-12-22-19)16-5-4-6-17(11-16)28-3/h4-12H,1-3H3,(H,22,23,25)/b24-13+"	CC1=NN(C2=NC=NC(=C12)N/N=C(\\C)/C3=CC=NC=C3)C4=CC(=CC=C4)OC	MMXTYLZRZDGJDX-ZMOGYAJESA-N
DG64432	[(E)-[(1E)-1-(carbamothioylhydrazinylidene)-3-(2-methoxyethoxy)butan-2-ylidene]amino]thiourea	9614290	NSC101319; 2447-05-4; DTXSID30430639; NSC-101319	.	.	Investigative Drug(s)	Investigative	Small molecular drug	101319	.	.	.	.	306.4	C9H18N6O2S2	184	361	-0.6	19	4	6	8	"InChI=1S/C9H18N6O2S2/c1-6(17-4-3-16-2)7(13-15-9(11)19)5-12-14-8(10)18/h5-6H,3-4H2,1-2H3,(H3,10,14,18)(H3,11,15,19)/b12-5+,13-7+"	CC(/C(=N/NC(=S)N)/C=N/NC(=S)N)OCCOC	LSTBLFGRQOSBQF-HBGINIEDSA-N
DG64433	"(2E)-2-hydroxyimino-1-(2,4,5-triphenyl-1H-pyrrol-3-yl)ethanone"	9614301	NSC131530; CHEMBL1997632; ZINC104119845; NSC-131530	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131530	.	.	.	.	366.4	C24H18N2O2	65.4	531	5.8	28	2	3	5	"InChI=1S/C24H18N2O2/c27-20(16-25-28)22-21(17-10-4-1-5-11-17)23(18-12-6-2-7-13-18)26-24(22)19-14-8-3-9-15-19/h1-16,26,28H/b25-16+"	C1=CC=C(C=C1)C2=C(NC(=C2C(=O)/C=N/O)C3=CC=CC=C3)C4=CC=CC=C4	GFOPCAHBNNNKQR-PCLIKHOPSA-N
DG64434	N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide	9615407	14522-20-4; N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide; N-[[4-[BIS(2-CHLOROETHYL)AMINO]PHENYL]METHYLIDENEAMINO]-2-(7-HYDROXY-2 -OXO-CHROMEN-4-YL)ACETAMIDE; NSC79687; CHEMBL1997614; NSC-79687; ZINC73011820	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79687	.	.	.	.	462.3	C22H21Cl2N3O4	91.2	674	3.3	31	2	6	9	"InChI=1S/C22H21Cl2N3O4/c23-7-9-27(10-8-24)17-3-1-15(2-4-17)14-25-26-21(29)11-16-12-22(30)31-20-13-18(28)5-6-19(16)20/h1-6,12-14,28H,7-11H2,(H,26,29)/b25-14+"	C1=CC(=CC=C1/C=N/NC(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O)N(CCCl)CCCl	RALUPMDCOQIOIS-AFUMVMLFSA-N
DG64435	"2-(methylamino)-N'-[(E,2E)-3-phenyl-2-propenylidene]benzohydrazide"	9615408	"NSC205506; ZINC17024624; AKOS024340750; NSC-205506; 2-(methylamino)-N'-[(E,2E)-3-phenyl-2-propenylidene]benzohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	205506	.	.	.	.	279.34	C17H17N3O	53.5	372	3.8	21	2	3	5	"InChI=1S/C17H17N3O/c1-18-16-12-6-5-11-15(16)17(21)20-19-13-7-10-14-8-3-2-4-9-14/h2-13,18H,1H3,(H,20,21)/b10-7+,19-13+"	CNC1=CC=CC=C1C(=O)N/N=C/C=C/C2=CC=CC=C2	MTSBRDPBWBAJEY-CIOYMBLNSA-N
DG64436	(E)-(2-Pyridyl)(4-methoxyphenyl) ketone (2-pyridyl)hydrazone	9630043	NSC693622; CHEMBL1983944; NSC-693622; (E)-(2-Pyridyl)(4-methoxyphenyl) ketone (2-pyridyl)hydrazone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693622	.	.	.	.	304.3	C18H16N4O	59.4	379	3.9	23	1	5	5	"InChI=1S/C18H16N4O/c1-23-15-10-8-14(9-11-15)18(16-6-2-4-12-19-16)22-21-17-7-3-5-13-20-17/h2-13H,1H3,(H,20,21)/b22-18+"	COC1=CC=C(C=C1)/C(=N\\NC2=CC=CC=N2)/C3=CC=CC=N3	WISOJXSGCJIHCX-RELWKKBWSA-N
DG64437	MK-0752	9803433	"MK-0752; 471905-41-6; MK0752; cis-4-[(4-Chlorophenyl)sulfonyl]-4-(2,5-difluorophenyl)cyclohexanepropanoic acid; UNII-9JD9B4S53T; 3-((1r,4s)-4-((4-chlorophenyl)sulfonyl)-4-(2,5-difluorophenyl)cyclohexyl)propanoic acid; 9JD9B4S53T; 952578-68-6; 3-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]propanoic Acid; 3-((1r,4s)-4-(4-chlorophenylsulfonyl)-4-(2,5-difluorophenyl)cyclohexyl)propanoic acid; 3-((1r,4s)-4-((4-chlorophenyl)sulfonyl)-4-(2,5-difluorophenyl)cyclohexyl)propanoic acid.; MK 0752; C21H21ClF2O4S; MLS006011072; SCHEMBL756247; SCHEMBL756248; SCHEMBL756249; CHEMBL3392635; CHEMBL4205422; CHEMBL4744852; SCHEMBL18288908; GTPL11360; DTXSID70915051; HMS3656H09; HMS3884B14; AOB87197; BCP05305; EX-A2100; BDBM50458158; MFCD21608529; NSC762829; NSC762832; s2660; ZINC33965716; AKOS026750568; AKOS037644997; ZINC100015572; ZINC100015575; BCP9000935; BCP9000936; CCG-264974; CS-0253; DB12852; NSC-762829; NSC-762832; QC-1905; SB16673; SRI-013070; Cyclohexanepropanoic acid, 4-((4-chlorophenyl)sulfonyl)-4-(2,5-difluorophenyl)-, cis-; s11589; NCGC00263184-01; NCGC00263184-02; NCGC00263184-03; AC-32716; AS-55943; HY-10974; SMR004702862; DB-080203; FT-0752638; FT-0774682; SW219755-1; X7591; J-520085; Q27272627; L-000891675; 3-[4-(4-Chlorobenzene-1-sulfonyl)-4-(2,5-difluorophenyl)cyclohexyl]propanoic acid; 4beta-[(4-Chlorophenyl)sulfonyl]-4-(2,5-difluorophenyl)cyclohexane-1beta-propanoic acid; 3-((1R,4S)-4-(4-chlorophenylsulfonyl)-4-(2,5-difluorophenyl)cyclohexyl)propanoic acid, 98%, a moderately potent ; A-secretase inhibitor"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762832	.	.	.	.	442.9	C21H21ClF2O4S	79.8	665	4.7	29	1	6	6	"InChI=1S/C21H21ClF2O4S/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26/h2-7,13-14H,1,8-12H2,(H,25,26)"	C1CC(CCC1CCC(=O)O)(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl	XCGJIFAKUZNNOR-UHFFFAOYSA-N
DG64438	RHPS 4 methosulfate	9804187	"RHPS4; 390362-78-4; RHPS 4 methosulfate; RHPS4 methosulfate; NSC714187; 3,11-Difluoro-6,8,13-trimethyl-8H-quino[4,3,2-kl]acridiniumMethylSulfate; CHEMBL158083; 3,11-Difluoro-6,8,13-trimethyl-8H-quinolino[4,3,2-kl]acridin-13-ium methyl sulfate; SCHEMBL384548; SCHEMBL17819002; s8118; AKOS027470169; CCG-269319; NSC-714187; 4,16-difluoro-8,11,20-trimethyl-8-aza-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14(19),15,17-decaene;methyl sulfate; HY-101089; CS-0020800; A16354; 3,8,13-trimethyl-8H-quino[4,3,2-kl]acridinium methosulfate; 3,11-difluoro-6,8,13-trimethylquino [4,3,2-kl]acridinium methylsulfate; 3,11-Difluoro-6,8,13-trimethylquino[4,3,2-kl]acridinium methylsulfate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714187	.	.	.	.	458.5	C23H20F2N2O4S	81.9	633	.	32	0	7	0	"InChI=1S/C22H17F2N2.CH4O4S/c1-12-8-16-15-10-13(23)4-6-18(15)26(3)22-17-11-14(24)5-7-19(17)25(2)20(9-12)21(16)22;1-5-6(2,3)4/h4-11H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1"	CC1=CC2=C3C(=C1)N(C4=C(C3=[N+](C5=C2C=C(C=C5)F)C)C=C(C=C4)F)C.COS(=O)(=O)[O-]	VRWGYMXWYZBBGF-UHFFFAOYSA-M
DG64440	N-(4-(3-(trifluoromethyl)benzyloxy)phenyl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4-amine	9808725	CHEMBL214419; N-(4-(3-(trifluoromethyl)benzyloxy)phenyl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4-amine; SCHEMBL2103884; BDBM50189125; NSC756254; NSC-756254; NCGC00242179-01; AB01092309-01; 6-[5-({[2-(methanesulphonyl)ethyl]amino}methyl)-2-furyl]-N-(4-{[3-(trifiuoromethyl) benzyl]oxy}phenyl)-4-quinazolinamine; 6-[5-({[2-(methanesulphonyl)ethyl]amino}methyl)-2-furyl]-N-(4-{[3-(trifluoromethyl) benzyl]oxy}phenyl)-4-quinazolinamine; 6-[5-({[2-(methanesulphonyl)ethyl]amino}methyl)-2-furyl]-N-(4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-4-quinazolinamine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756254	.	.	.	.	596.6	C30H27F3N4O4S	115	944	5.3	42	2	11	11	"InChI=1S/C30H27F3N4O4S/c1-42(38,39)14-13-34-17-25-10-12-28(41-25)21-5-11-27-26(16-21)29(36-19-35-27)37-23-6-8-24(9-7-23)40-18-20-3-2-4-22(15-20)30(31,32)33/h2-12,15-16,19,34H,13-14,17-18H2,1H3,(H,35,36,37)"	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC(=CC=C5)C(F)(F)F	AERGSELXAOHCKG-UHFFFAOYSA-N
DG64441	Telatinib	9808844	"Telatinib; 332012-40-5; Bay 57-9352; Telatinib (BAY 57-9352); UNII-18P7197Q7J; 4-[[4-(4-Chloroanilino)furo[2,3-d]pyridazin-7-yl]oxymethyl]-N-methyl-pyridine-2-carboxamide; 4-[[4-(4-chloroanilino)furo[2,3-d]pyridazin-7-yl]oxymethyl]-N-methylpyridine-2-carboxamide; BAY-579352; BAY57-9352; BAY-57-9352; CHEMBL2079588; 18P7197Q7J; 4-(((4-((4-chlorophenyl)amino)furo[2,3-d]pyridazin-7-yl)oxy)methyl)-N-methylpicolinamide; 4-((4-(4-chlorophenylamino)furo[2,3-d]pyridazin-7-yloxy)methyl)-N-methylpicolinamide; Telatinib [INN]; MLS006010950; SCHEMBL1250560; Bay 57-9352 (Telatinib); GTPL10476; Telatinib - BAY 57-9352; DTXSID70954809; EX-A007; QCR-162; BCPP000050; HMS3655F14; ZINC590964; BCP02409; BAY579352; BDBM50399538; MFCD18251453; NSC776017; NSC800944; s2231; AKOS015909525; BAY 579352; CCG-264951; CS-3722; DB15393; EX-8672; NSC-776017; NSC-800944; PB30302; SB13250; NCGC00249392-01; NCGC00249392-05; 2-Pyridinecarboxamide, 4-(((4-((4-chlorophenyl)amino)furo(2,3-d)pyridazin-7-yl)oxy)methyl)-N-methyl-; AC-25239; example 14 [WO2001023375A2]; HY-10527; SMR004702754; FT-0674832; SW220176-1; X7508; A25614; J-524317; Q27252023; 4-({[4-(4-Chloroanilino)furo[2,3-d]pyridazin-7-yl]oxy}methyl)-N-methylpyridine-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	776017	.	.	.	.	409.8	C20H16ClN5O3	102	548	3.1	29	2	7	6	"InChI=1S/C20H16ClN5O3/c1-22-19(27)16-10-12(6-8-23-16)11-29-20-17-15(7-9-28-17)18(25-26-20)24-14-4-2-13(21)3-5-14/h2-10H,11H2,1H3,(H,22,27)(H,24,25)"	CNC(=O)C1=NC=CC(=C1)COC2=NN=C(C3=C2OC=C3)NC4=CC=C(C=C4)Cl	QFCXANHHBCGMAS-UHFFFAOYSA-N
DG64442	6-[5-[[2-(benzenesulfonyl)ethylamino]methyl]furan-2-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine	9809611	CHEMBL1794063; GW633459A; SCHEMBL14572854; BDBM50370758; NSC756293; NSC-756293; NCGC00242210-01; AB01092321-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756293	.	.	.	.	643.1	C34H28ClFN4O4S	115	1020	6.7	45	2	9	12	"InChI=1S/C34H28ClFN4O4S/c35-30-19-26(10-13-33(30)43-21-23-5-4-6-25(36)17-23)40-34-29-18-24(9-12-31(29)38-22-39-34)32-14-11-27(44-32)20-37-15-16-45(41,42)28-7-2-1-3-8-28/h1-14,17-19,22,37H,15-16,20-21H2,(H,38,39,40)"	C1=CC=C(C=C1)S(=O)(=O)CCNCC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)Cl	MTHDVQYDQJZAFB-UHFFFAOYSA-N
DG64443	Aldoxorubicin	9810709	"ALDOXORUBICIN; INNO-206; 1361644-26-9; Doxorubicin-EMCH; DOXO-EMCH; UNII-C28MV4IM0B; N-[(E)-[1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene]amino]-6-(2,5-dioxopyrrol-1-yl)hexanamide; 151038-96-9; C28MV4IM0B; Aldoxorubicin (USAN); CHEMBL2107818; SCHEMBL15221892; EX-A3971; Aldoxorubicin;INNO 206;INNO206; NSC784722; ZINC163337436; CS-1186; DB06013; NSC-784722; HY-16261; D10383; (8S)-1-Methoxy-6,8alpha,11-trihydroxy-8-[1-[2-[6-(2,5-dioxo-3-pyrroline-1-yl)hexanoyl]hydrazono]-2-hydroxyethyl]-10alpha-(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyloxy)-7,8,9,10-tetrahydronaphthacene-5,12-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	784722	.	.	.	.	750.7	C37H42N4O13	268	1510	1.3	54	7	15	12	"InChI=1S/C37H42N4O13/c1-17-32(46)20(38)13-27(53-17)54-22-15-37(51,23(16-42)39-40-24(43)9-4-3-5-12-41-25(44)10-11-26(41)45)14-19-29(22)36(50)31-30(34(19)48)33(47)18-7-6-8-21(52-2)28(18)35(31)49/h6-8,10-11,17,20,22,27,32,42,46,48,50-51H,3-5,9,12-16,38H2,1-2H3,(H,40,43)/b39-23+/t17-,20-,22-,27-,32+,37-/m0/s1"	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/NC(=O)CCCCCN6C(=O)C=CC6=O)/CO)O)N)O	OBMJQRLIQQTJLR-USGQOSEYSA-N
DG64444	"3-((4-Bromo-2,6-difluorobenzyl)oxy)-5-(3-(4-(pyrrolidin-1-yl)butyl)ureido)isothiazole-4-carboxamide"	9811611	"252003-65-9; CP-547632; 3-((4-Bromo-2,6-difluorobenzyl)oxy)-5-(3-(4-(pyrrolidin-1-yl)butyl)ureido)isothiazole-4-carboxamide; CP 547632; CP-547,632; UNII-W1B375O5M2; CHEMBL253969; OSI-632; W1B375O5M2; 3-(4-bromo-2,6-difluorobenzyloxy)-5-(3-(4-(pyrrolidin-1-yl)butyl)ureido)isothiazole-4-carboxamide; 3-(4-Bromo-2,6-difluorobenzyloxy)-5-(3-(4-pyrrolidin-1-ylbutyl)ureido)isothiazole-4-carboxylic acid amide; 4-Isothiazolecarboxamide, 3-((4-bromo-2,6-difluorophenyl)methoxy)-5-((((4-(1-pyrrolidinyl)butyl)amino)carbonyl)amino)-; 3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide; 3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide; 4-Isothiazolecarboxamide, 3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-[[[[4-(1-pyrrolidinyl)butyl]amino]carbonyl]amino]-; Kinome_3755; 3-[(4-BROMO-2,6-DIFLUOROBENZYL)OXY]-5-[3-[4-(PYRROLIDIN-1-YL)BUTYL]UREIDO]ISOTHIAZOLE-4-CARBOXAMIDE; CP547632; C20H24BrF2N5O3S; SCHEMBL187261; GTPL7881; BDBM25115; DTXSID00179866; BCP22974; PAN90806; ZINC3834191; CP-632; NSC800077; PAN 90806; PAN-90806; AKOS016008145; BCP9000545; DB12962; NSC-800077; QC-4580; NCGC00263100-01; NCGC00263100-02; NCGC00263100-04; 3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-[[[[4-(1-pyrrolidinyl)butyl]amino]carbonyl]amino]-4-isothiazolecarboxamide; AC-25487; BFF; HY-13302; BCP0726000165; CP 547,632; CS-0003189; FT-0749856; X5494; CP547632, 24; 003B659; A846827; J-515608; Q27076896; 3-(4-Bromo-2,6-difluoro-benzyloxy)-5-[3-(4-pyrrolidin-1-yl-butyl)-ureido]-isothiazole-4-carboxylic acid amide; 3-(4-Bromo-2,6-difluoro-benzyloxy)-5-[3-(4-pyrrolidin-1yl-butyl)-ureido]-isothiazole-4-carboxylic Acid Amide; 3-(4-bromo-2,6-difluorobenzyloxy)-5-[3-[4-(1-pyrrolidinyl)butyl]ureido]isothiazole-4-carboxamide; 3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(pyrrolidin-1-yl)butyl]carbamoyl}amino)-1,2-thiazole-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800077	.	.	.	.	532.4	C20H24BrF2N5O3S	138	622	3.7	32	3	8	10	"InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)"	C1CCN(C1)CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Br)F)C(=O)N	HXHAJRMTJXHJJZ-UHFFFAOYSA-N
DG64445	CID 9821433	9821433	Artesunate; SCHEMBL4752698; Pharmakon1600-01504829; AMY25808; NSC759817; ZINC100036930; NSC-759817	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759817	.	.	.	.	384.4	C19H28O8	101	623	2.5	27	1	8	5	"InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18+,19-/m1/s1"	C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)OC(=O)CCC(=O)O)C	FIHJKUPKCHIPAT-AXFKQHSWSA-N
DG64447	"N~4~-(3-Methyl-1h-Indazol-6-Yl)-N~2~-(3,4,5-Trimethoxyphenyl)pyrimidine-2,4-Diamine"	9822610	"GW612286X; N~4~-(3-Methyl-1h-Indazol-6-Yl)-N~2~-(3,4,5-Trimethoxyphenyl)pyrimidine-2,4-Diamine; pyrimidine, 5a; 3cjf; SAV; CHEMBL479079; SCHEMBL21067484; BDBM26479; 4o78; HMS3303E14; HMS3305P05; NSC756278; DB08519; NSC-756278; 4-N-(3-methyl-1H-indazol-6-yl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine; NCGC00242081-01; AB01092211-01; Q27097718"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756278	.	.	.	.	406.4	C21H22N6O3	106	529	3.9	30	3	8	7	"InChI=1S/C21H22N6O3/c1-12-15-6-5-13(9-16(15)27-26-12)23-19-7-8-22-21(25-19)24-14-10-17(28-2)20(30-4)18(11-14)29-3/h5-11H,1-4H3,(H,26,27)(H2,22,23,24,25)"	CC1=C2C=CC(=CC2=NN1)NC3=NC(=NC=C3)NC4=CC(=C(C(=C4)OC)OC)OC	SQQAPOSROFWHIB-UHFFFAOYSA-N
DG64449	"5-(3-Phenylmethoxyphenyl)-7-[3-(pyrrolidin-1-ylmethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-4-amine"	9825149	"NVP-ADW742; 475488-23-4; ADW-742; 475489-15-7; ADW742; UNII-MXS2N5862L; cis-NVP-ADW742; GSK 621659A; 5-(3-phenylmethoxyphenyl)-7-[3-(pyrrolidin-1-ylmethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-4-amine; CHEMBL399021; MXS2N5862L; 5-(3-(Benzyloxy)phenyl)-7-((1r,3r)-3-(pyrrolidin-1-ylmethyl)-cyclobutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine; 5-(3-(benzyloxy)phenyl)-7-((1r,3r)-3-(pyrrolidin-1-ylmethyl)cyclobutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine; 5-(3-Benzyloxyphenyl)-7-[trans-3-[(pyrrolidin-1-yl)methyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine; C28H31N5O; 5-(3-(Benzyloxy)phenyl)-7-(cis-3-(pyrrolidin-1-ylmethyl)cyclobutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine; GSK-552602A; Kinome_2540; SCHEMBL95142; NVP ADW 742; SCHEMBL1983470; SCHEMBL1983472; CHEMBL1988370; DTXSID70431367; NVP-ADW742;ADW-742; HMS3654M17; BCP25985; EX-A2114; GSK 552602A; ZINC3963017; BDBM50219355; GSK-552602-A; NSC767746; s1088; AKOS024458545; AKOS026750356; ZINC100015653; ZINC103588519; BCP9001005; CCG-269275; CS-0450; NSC-767746; SB19377; NCGC00346485-01; NCGC00386129-03; 7H-Pyrrolo(2,3-d)pyrimidin-4-amine, 5-(3-(phenylmethoxy)phenyl)-7-(trans-3-(1-pyrrolidinylmethyl)cyclobutyl)-; AC-32801; AS-56233; DA-42361; HY-10252; DB-070828; FT-0698450; FT-0707043; SW219932-1; X7472; C15838; J-516157; BRD-K15179513-001-01-8; Q27284280; 5-(3-(benzyloxy)phenyl)-7-(3-(pyrrolidin-1-ylmethyl)cyclobutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine; 5-(3-Benzyloxyphenyl)-7-[trans-3-[(pyrrolidin-1-yl)methyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine/NVP-ADW742; 5-[3-(Phenylmethoxy)phenyl]-7-[trans-3-(1-pyrrolidinylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine; ADW"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767746	.	.	.	.	453.6	C28H31N5O	69.2	645	4.6	34	1	5	7	"InChI=1S/C28H31N5O/c29-27-26-25(22-9-6-10-24(15-22)34-18-20-7-2-1-3-8-20)17-33(28(26)31-19-30-27)23-13-21(14-23)16-32-11-4-5-12-32/h1-3,6-10,15,17,19,21,23H,4-5,11-14,16,18H2,(H2,29,30,31)"	C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	LSFLAQVDISHMNB-UHFFFAOYSA-N
DG64450	"N-[4-amino-1-(2-chloroethyl)-2-naphthyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide"	9825161	"413577-16-9; CHEBI:82669; UNII-866DFL3TMF; 866DFL3TMF; AS-I-145; N-[4-amino-1-(2-chloroethyl)-2-naphthyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide; N-[4-amino-1-(2-chloroethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide; Centanamycin; CHEMBL192069; SCHEMBL5733476; DTXSID30431368; AS-I 145; NSC716970; AS-1145; NSC 716970; NSC-716970; 1H-Indole-2-carboxamide,6,7-trimethoxy-; Q27156187; 1H-Indole-2-carboxamide, N-(4-amino-1-(2-chloroethyl)-2-naphthalenyl)-5,6,7-trimethoxy-; 4-(2-chloroethyl)-3-(5,6,7-trimethoxyindole-2-carboxamido)-1-naphthylamine; N-(4-Azanyl-1-(2-chloroethyl)naphthalen-2-yl)-5,6,7-trimethoxy-1H-indole-2-carboxamide; N-[1-(2-Chloroethyl)-4-amino-2-naphthyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716970	.	.	.	.	453.9	C24H24ClN3O4	98.6	640	4.6	32	3	5	7	"InChI=1S/C24H24ClN3O4/c1-30-20-11-13-10-19(27-21(13)23(32-3)22(20)31-2)24(29)28-18-12-17(26)15-7-5-4-6-14(15)16(18)8-9-25/h4-7,10-12,27H,8-9,26H2,1-3H3,(H,28,29)"	COC1=C(C(=C2C(=C1)C=C(N2)C(=O)NC3=C(C4=CC=CC=C4C(=C3)N)CCCl)OC)OC	MNFPZBOQEWMBOK-UHFFFAOYSA-N
DG64451	"5-(5,6-Dimethoxy-1-benzimidazolyl)-3-[[2-(trifluoromethyl)phenyl]methoxy]-2-thiophenecarboxamide"	9826308	"GW843682X; 660868-91-7; GW 843682X; GW843682; GW-843682X; 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide; 5-(5,6-dimethoxy-1-benzimidazolyl)-3-[[2-(trifluoromethyl)phenyl]methoxy]-2-thiophenecarboxamide; C22H18F3N3O4S; GW843682,  5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)-benzyl]oxy}thiophene-2-carboxamide; Kinome_3462; thiophene deriv., 20; MLS006010260; BMCL191018 Compound 2; CHEMBL514499; SCHEMBL1286884; BDBM25120; CHEBI:91334; DTXSID80431373; BCPP000216; HMS3265C07; HMS3265C08; HMS3265D07; HMS3265D08; HMS3267H10; HMS3303O23; HMS3305I14; HMS3413H06; HMS3677H06; BCP27639; ZINC3939511; MFCD09971143; NSC756404; AKOS022178986; BCP9000750; CS-0070; NSC-756404; NCGC00242217-01; NCGC00242217-02; NCGC00242217-04; 3-(2-(Trifluoromethyl)benzyloxy)-5-(5,6-dimethoxy-1H-benzo[d]imidazol-1-yl)thiophene-2-carboxamide; 5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)-benzyl]oxy}thiophene-2-carboxamide; HY-11003; SMR004701333; FT-0765666; Y0254; GW843682X, >=98% (HPLC), solid; GW 843682X; GW-843682X; AB01092184-01; 868G917; A835326; SR-03000003273; SR-03000003273-1; BRD-K90382497-001-01-6; Q27163216; GW 843682X;GW843682;GW-843682X; Polo-like Kinase Inhibitor III - CAS 660868-91-7; 5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carboxamide; 5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]-2-thiophenecarboxamide; 5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide; 5-(5,6-Dimethoxy-benzoimidazol-1-yl-3-(2-trifluoromethyl-benzyloxy)-thiophene-2-carboxylic acid amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756404	.	.	.	.	477.5	C22H18F3N3O4S	117	688	4.6	33	1	9	7	"InChI=1S/C22H18F3N3O4S/c1-30-16-7-14-15(8-17(16)31-2)28(11-27-14)19-9-18(20(33-19)21(26)29)32-10-12-5-3-4-6-13(12)22(23,24)25/h3-9,11H,10H2,1-2H3,(H2,26,29)"	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC	JSKUWFIZUALZLX-UHFFFAOYSA-N
DG64452	"5-Bromo-3-(5-bromo-6-hydroxy-2''-methoxy-biphenyl-3-ylmethylene)-1,3-dihydro-pyrrolo[2,3-b]pyridin-2-one"	9827373	"CHEMBL176857; GW442130X; HMS3303A10; HMS3305L16; BDBM50142025; NSC756238; ZINC28089408; NSC-756238; AB01092199-01; 5-Bromo-3-(5-bromo-6-hydroxy-2''-methoxy-biphenyl-3-ylmethylene)-1,3-dihydro-pyrrolo[2,3-b]pyridin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756238	.	.	.	.	502.2	C21H14Br2N2O3	71.4	617	4.8	28	2	4	3	"InChI=1S/C21H14Br2N2O3/c1-28-18-5-3-2-4-13(18)14-6-11(8-17(23)19(14)26)7-16-15-9-12(22)10-24-20(15)25-21(16)27/h2-10,26H,1H3,(H,24,25,27)/b16-7-"	COC1=CC=CC=C1C2=C(C(=CC(=C2)/C=C\\3/C4=C(NC3=O)N=CC(=C4)Br)Br)O	RIJBDOXTEPVDPJ-APSNUPSMSA-N
DG64453	Gemcitabine elaidate	9828310	"Gemcitabine elaidate; 210829-30-4; CP-4126; CO-101; Gemcitabine (elaidate); UNII-231C73W7LG; 231C73W7LG; CO-1.01; (E)-((2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4,4-difluoro-3-hydroxytetrahydrofuran-2-yl)methyl octadec-9-enoate.; gemcitabine-elaidate; Gemcitabine 5'-elaidate; CP-4126 (LVT DERIVATIVE OF GEMCITABINE); SCHEMBL582034; SCHEMBL582036; CHEMBL3039516; DTXSID00175308; CHEBI:177710; Gemcitabine elaidate (USAN/INN); Gemcitabine elaidate [USAN:INN]; Gemcitabine 5'-elaidateCP-4126; NSC765775; ZINC14208575; CP 4126; CS-3744; DB12564; NSC-765775; HY-13538; D10222; J-520106; Q27253699; 2'-Deoxy-2',2'-difluorocytidine 5'-(9E)-octadec-9-enoate; Cytidine, 2'-deoxy-2',2'-difluoro-, 5'-(9E)-9-octadecenoate; [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl (E)-octadec-9-enoate; [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-diluoro-3-hydroxyoxolan-2-yl]methyl (E)-octadec-9-enoate; 4-Amino-1-(2-deoxy-2,2-difluoro-5-O-((9E)-octadec-9-enoyl)-alpha-D-erythro- pentofuranosyl)pyrimidin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765775	.	.	.	.	527.6	C27H43F2N3O5	114	803	6.2	37	2	7	19	"InChI=1S/C27H43F2N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(33)36-20-21-24(34)27(28,29)25(37-21)32-19-18-22(30)31-26(32)35/h9-10,18-19,21,24-25,34H,2-8,11-17,20H2,1H3,(H2,30,31,35)/b10-9+/t21-,24-,25-/m1/s1"	CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H]1[C@H](C([C@@H](O1)N2C=CC(=NC2=O)N)(F)F)O	HESSNRGIEVBPRB-QDDPNBLJSA-N
DG64454	N-[4-(benzyloxy)phenyl]-6-[4-({[2-(methanesulphonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine	9828335	GW566221A; CHEMBL377437; SCHEMBL2100342; NSC756253; NSC-756253; NCGC00242220-01; AB01092308-01; N-[4-(benzyloxy)phenyl]-6-[4-({[2-(methanesulphonyl)ethyl]amino}methyl)-2 furyl]-4-quinazolinamine; N-[4-(benzyloxy)phenyl]-6-[4-({[2-(methanesulphonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756253	.	.	.	.	528.6	C29H28N4O4S	115	810	4.4	38	2	8	11	"InChI=1S/C29H28N4O4S/c1-38(34,35)14-13-30-17-22-15-28(37-19-22)23-7-12-27-26(16-23)29(32-20-31-27)33-24-8-10-25(11-9-24)36-18-21-5-3-2-4-6-21/h2-12,15-16,19-20,30H,13-14,17-18H2,1H3,(H,31,32,33)"	CS(=O)(=O)CCNCC1=COC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5	UJYWZVPEMTYMBL-UHFFFAOYSA-N
DG64455	N-(4-(benzyloxy)phenyl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4-amine	9828336	CHEMBL213342; SCHEMBL2099497; BDBM50189116; NSC756245; NSC-756245; NCGC00242165-01; AB01092307-01; N-(4-(benzyloxy)phenyl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756245	.	.	.	.	528.6	C29H28N4O4S	115	810	4.4	38	2	8	11	"InChI=1S/C29H28N4O4S/c1-38(34,35)16-15-30-18-25-12-14-28(37-25)22-7-13-27-26(17-22)29(32-20-31-27)33-23-8-10-24(11-9-23)36-19-21-5-3-2-4-6-21/h2-14,17,20,30H,15-16,18-19H2,1H3,(H,31,32,33)"	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5	PMNXVLOADVXDDY-UHFFFAOYSA-N
DG64457	[3-Chloro-4-(3-fluoro-benzyloxy)-phenyl]-{6-[5-(1-oxo-1lambda*4*-thiomorpholin-4-ylmethyl)-furan-2-yl]-quinazolin-4-yl}-amine	9829680	CHEMBL212954; BDBM50189109; NSC756267; NSC-756267; NCGC00242206-01; AB01092314-01; [3-chloro-4-(3-fluoro-benzyloxy)-phenyl]-{6-[5-(1-oxo-1lambda*4*-thiomorpholin-4-ylmethyl)-furan-2-yl]-quinazolin-4-yl}-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756267	.	.	.	.	577.1	C30H26ClFN4O3S	99.7	837	5	40	1	9	8	"InChI=1S/C30H26ClFN4O3S/c31-26-16-23(5-8-29(26)38-18-20-2-1-3-22(32)14-20)35-30-25-15-21(4-7-27(25)33-19-34-30)28-9-6-24(39-28)17-36-10-12-40(37)13-11-36/h1-9,14-16,19H,10-13,17-18H2,(H,33,34,35)"	C1CS(=O)CCN1CC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)Cl	BHZWACACNOOTKB-UHFFFAOYSA-N
DG64458	CID 9832825	9832825	Vincristine sulfate; SR-05000001799; 2068-78-2; HMS2093B22; Pharmakon1600-01505672; NSC759174; CCG-213504; NSC-759174; SR-05000001799-1; SR-05000001799-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759174	.	.	.	.	923	C46H58N4O14S	254	1830	.	65	5	16	10	"InChI=1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28 ,37-,38+,39+,42-,43+,44+,45-,46-;/m0./s1"	CC[C@@]1(CC2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O	AQTQHPDCURKLKT-FCIBFBFCSA-N
DG64459	Sonolisib	9849735	"Sonolisib; PX-866; 502632-66-8; Sonolisib (PX-866); PX866; PX 866; CHEBI:65345; UNII-987796874T; (4S,4aR,5R,6aS,9aR,E)-1-((diallylamino)methylene)-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-2,7,10-trioxo-1,2,4,4a,5,6,6a,7,8,9,9a,10-dodecahydroindeno[4,5-h]isochromen-5-yl acetate; 987796874T; (1E,4S,4aR,5R,6aS,9aR)-1-{[di(prop-2-en-1-yl)amino]methylidene}-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-2,7,10-trioxo-1,2,4,4a,5,6,6a,7,8,9,9a,10-dodecahydroindeno[4,5-h]isochromen-5-yl acetate; NSC-722134; Sonolisib [INN]; CHEMBL411907; GTPL7941; SCHEMBL10020803; DJM-166; DTXSID80198257; HY-N6775; DJM-2-166; NSC800933; ZINC29134545; DB12601; NSC-800933; BP162743; CS-0002501; Q27088839; (4E)-4-(((Bis(prop-2-en-1-yl)amino)methylidene)-6-hydroxy-1alpha-(methoxymethyl)-3,7,17-trioxo-2-oxaandrosta-5,8-dien-11alpha-yl acetate; [(3aR,6E,9S,9aR,10R,11aS)-6-[(di(prop-2-enyl)amino)methylidene]-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-2,3,3a,9,10,11-hexahydroindeno[7,6-h]isochromen-10-yl] acetate; [(3aR,6E,9S,9aR,10R,11aS)-6-[[bis(prop-2-enyl)amino]methylidene]-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-10-yl] acetate; Cyclopenta(5,6)naphtho(1,2-c)pyran-2,7,10(1H)-trione, 5-(acetyloxy)-1-((di-2-propen-1-ylamino)methylene)-4,4a,5,6,6a,8,9,9a-octahydro-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-, (1E,4S,4ar,5R,6as,9ar)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800933	.	.	.	.	525.6	C29H35NO8	119	1200	1.7	38	1	9	9	"InChI=1S/C29H35NO8/c1-7-11-30(12-8-2)14-17-23-26(34)25(33)22-18-9-10-20(32)28(18,4)13-19(37-16(3)31)24(22)29(23,5)21(15-36-6)38-27(17)35/h7-8,14,18-19,21,34H,1-2,9-13,15H2,3-6H3/b17-14+/t18-,19+,21+,28-,29-/m0/s1"	CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(CC=C)CC=C)/C4=C(C3=O)O)COC)C)C	QIUASFSNWYMDFS-NILGECQDSA-N
DG64460	MK-0429	9853559	"MK-0429; 227963-15-7; MK-429; UNII-1JL033A2D0; CHEMBL145085; 1JL033A2D0; (S)-3-(6-methoxypyridin-3-yl)-3-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoic acid; (3S)-3-(6-methoxypyridin-3-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid; Alpha-V Beta-3 Antagonist; GTPL9689; SCHEMBL2064856; BDBM50134778; MK0429; NSC776790; compound 6 [PMID:14561098]; NSC-776790; HY-15102; CS-0003761; J1.969.455K; Q27252505; (3S)-3-(6-Methoxy-3-pyridyl)-3-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoic acid; (betaS)-beta-(2-Methoxy-5-pyridyl)-3-[3-(1,2,3,4-tetrahydro-1,8-naphthyridine-7-yl)propyl]-2-oxoimidazolidine-1-propanoic acid; (S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-propyl]-imidazolidin-1-yl}-propionic acid; 3-Pyridinepropanoic acid, 6-methoxy-beta-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)-1-imidazolidinyl)-, (betaS)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	776790	.	.	.	.	439.5	C23H29N5O4	108	650	1.8	32	2	7	9	"InChI=1S/C23H29N5O4/c1-32-20-9-7-17(15-25-20)19(14-21(29)30)28-13-12-27(23(28)31)11-3-5-18-8-6-16-4-2-10-24-22(16)26-18/h6-9,15,19H,2-5,10-14H2,1H3,(H,24,26)(H,29,30)/t19-/m0/s1"	COC1=NC=C(C=C1)[C@H](CC(=O)O)N2CCN(C2=O)CCCC3=NC4=C(CCCN4)C=C3	HGFOOLONGOBCMP-IBGZPJMESA-N
DG64461	Mocetinostat	9865515	"Mocetinostat; 726169-73-9; MGCD0103; MGCD-0103; N-(2-AMINOPHENYL)-4-([[4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO]METHYL)BENZAMIDE; MGCD 0103; Mocetinostat (MGCD0103); N-(2-aminophenyl)-4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide; 9003-99-0; UNII-A6GWB8T96J; MG0103; Mocetinostat (MGCD-0103); MG 0103; Mocetinostat (MGCD0103, MG0103); A6GWB8T96J; CHEMBL272980; MG-0103; N-(2-Aminophenyl)-4-((4-pyridin-3-ylpyrimidin-2-ylamino)methyl)benzamide; 726169-73-9 (free base); Mocetinostat (USAN/INN); N-(2-aminophenyl)-4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzamide; N-(2-aminophenyl)-4-[[[4-(3-pyridyl)pyrimidin-2-yl]amino]methyl]benzamide; n-(2-aminophenyl)-4-[(4-pyridin-3-ylpyrimidin-2-ylamino)methyl]benzamide; N-(2-aminophenyl)-4-(((4-(pyridin-3-yl)pyrimidin-2-yl)amino)methyl)benzamide; Mocetinostat [USAN:INN]; MGCD0103 (Mocetinostat); Horseradish peroxidase; Myeloperoxidase (USAN); MGCD010,3Mocetinostat; MGCD0103 - Mocetinostat; MLS006010181; SCHEMBL157027; GTPL7008; BDBM24624; CHEBI:94525; DTXSID80222945; EX-A049; QCR-116; BCPP000163; HMS3426I07; HMS3654K06; AOB87751; BCP01814; BBL102287; MFCD10565970; NSC760143; s1122; STL556086; ZINC13986811; AKOS016340325; BCP9000925; BD-0114; CCG-208763; CS-0502; DB11830; NSC-760143; SB16666; NCGC00263182-01; NCGC00263182-02; NCGC00263182-11; AC-30281; HY-12164; SMR004701289; FT-0627651; FT-0741876; SW218130-2; X7532; EC-000.2284; D09641; D09643; 169M739; AU-004/43508107; Q424869; J-522866; BRD-K16485616-001-01-4; BRD-K16485616-001-04-8; Benzamide, N-(2-aminophenyl)-4-(((4-(3-pyridinyl)-2-pyrimidinyl)amino)methyl)-; N-(2-aminophenyl)-4-((4-(pyridin-3-yl)pyrimidin-2-ylamino)methyl)benzamide; N-(2-aminophenyl)-4-({[4-(3-pyridinyl)-2-pyrimidinyl]amino}methyl)benzamide; N-(2-Aminophenyl)-4-([[4-(pyridin-3-yl)pyrimidin-2-yl]amino]methyl)benzamide;MGCD0103;Mocetinostat;MGCD0103(Mocetinostat)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760143	.	.	.	.	396.4	C23H20N6O	106	538	2.8	30	3	6	6	"InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)"	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC3=NC=CC(=N3)C4=CN=CC=C4	HRNLUBSXIHFDHP-UHFFFAOYSA-N
DG64462	"2,3-Dihydro-3(R)-[4'hydroxyphenylsulfinyl]brefeldin A"	9866928	"MLS002702912; 2,3-Dihydro-3(R)-[4'hydroxyphenylsulfinyl]brefeldin A; CHEMBL332272; NSC692303; NSC-692303; SMR001566727"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692303	.	.	.	.	422.5	C22H30O6S	123	600	2.6	29	3	7	2	"InChI=1S/C22H30O6S/c1-14-5-3-2-4-6-15-11-17(24)12-19(15)22(26)20(13-21(25)28-14)29(27)18-9-7-16(23)8-10-18/h4,6-10,14-15,17,19-20,22-24,26H,2-3,5,11-13H2,1H3/b6-4+/t14-,15+,17-,19+,20+,22-,29 /m0/s1"	C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H]([C@@H](CC(=O)O1)S(=O)C3=CC=C(C=C3)O)O)O	CWDPXIRMHATEAZ-BOKOGIDUSA-N
DG64463	Crestor	9869776	"rosuvastatin(1-); Rosuvastatin; Crestor; ZD4522; 147098-20-2; rosuvastatin anion; CHEBI:77313; BDBM50371228; NSC779708; NSC-779708; NCGC00263883-02; NCGC00263883-04; NCGC00263883-05; J3.568.107H; AB01563049_01; Q27146872; (3R,5S,6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoate; (3R,5S,E)-7-(4-(4-Fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid hemi-calcium salt; (3R,5S,E)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-(N-methylmethanesulfonylamino)pyrimidine-5-yl]-3,5-dihydroxy-6-heptenoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	779708	.	.	.	.	480.5	C22H27FN3O6S-	152	761	2.3	33	2	10	9	"InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/p-1/b10-9+/t16-,17-/m1/s1"	CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C	BPRHUIZQVSMCRT-VEUZHWNKSA-M
DG64464	N-(4-(benzyloxy)-3-chlorophenyl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4-amine	9872621	CHEMBL380247; SCHEMBL13332770; BDBM50189108; NSC756263; NSC-756263; NCGC00242204-01; AB01092312-01; N-(4-(benzyloxy)-3-chlorophenyl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756263	.	.	.	.	563.1	C29H27ClN4O4S	115	855	5	39	2	8	11	"InChI=1S/C29H27ClN4O4S/c1-39(35,36)14-13-31-17-23-9-12-27(38-23)21-7-10-26-24(15-21)29(33-19-32-26)34-22-8-11-28(25(30)16-22)37-18-20-5-3-2-4-6-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34)"	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl	HTIFVTQSFKUCDX-UHFFFAOYSA-N
DG64465	NSC756280	9873849	2-(((5-(4-(4-(3-Fluorobenzyloxy)-3-chlorophenylamino)quinazolin-6-yl)furan-2-yl)methyl)(2-(methylsulfonyl)ethyl)amino)acetonitrile; CHEMBL384407; GW616030X; SCHEMBL4003698; HMS3303N23; HMS3305M16; BDBM50189117; NSC756280; NSC-756280; NCGC00242216-01; AB01092319-01; 2-(((5-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamino)quinazolin-6-yl)furan-2-yl)methyl)(2-(methylsulfonyl)ethyl)amino)acetonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756280	.	.	.	.	620.1	C31H27ClFN5O4S	130	1040	5.4	43	1	10	12	"InChI=1S/C31H27ClFN5O4S/c1-43(39,40)14-13-38(12-11-34)18-25-7-10-29(42-25)22-5-8-28-26(16-22)31(36-20-35-28)37-24-6-9-30(27(32)17-24)41-19-21-3-2-4-23(33)15-21/h2-10,15-17,20H,12-14,18-19H2,1H3,(H,35,36,37)"	CS(=O)(=O)CCN(CC#N)CC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	JGUKCUUOQNQOBB-UHFFFAOYSA-N
DG64466	2-Methoxy-N-[(2E)-3-[4-[[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]amino]-6-quinazolinyl]-2-propen-1-yl]acetamide	9874913	"CP-724714; 383432-38-0; CP 724714; CP724714; CP-724,714; (E)-2-methoxy-N-(3-(4-(3-methyl-4-(6-methylpyridin-3-yloxy)phenylamino)quinazolin-6-yl)allyl)acetamide; UNII-I05QZ0S4V3; CHEMBL483321; I05QZ0S4V3; 2-Methoxy-N-[(2E)-3-[4-[[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]amino]-6-quinazolinyl]-2-propen-1-yl]acetamide; 2-methoxy-N-[(E)-3-[4-[3-methyl-4-(6-methylpyridin-3-yl)oxyanilino]quinazolin-6-yl]prop-2-enyl]acetamide; (E/Z)-CP-724714; 2-Methoxy-N-[3-[4-[[3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl]amino]quinazolin-6-yl]allyl]acetamide; 845680-17-3; C27H27N5O3; (E)-2-methoxy-N-(3-(4-(3-methyl-4-(6-methylpyridin-3-yloxy)phenylamino)quinazolin-6-yl)allyl)acetamide.; E-2-Methoxy-N-(3-{4-[3-methyl-4-(6-methyl-pyridin-3-yloxy)-phenylamino]-quinazolin-6-yl}-allyl)-acetamide; 2-Methoxy-N-((2E)-3-(4-((3-methyl-4-((6-methyl-3-pyridinyl)oxy)phenyl)amino)-6-quinazolinyl)-2-propen-1-yl)acetamide; 2-methoxy-N-(3-(4-((3-methyl-4-((6-methylpyridin-3-yl)oxy)phenyl)amino)quinazolin-6-yl)allyl)acetamide; Acetamide, 2-methoxy-N-(3-(4-((3-methyl-4-((6-methyl-3-pyridinyl)oxy)phenyl)amino)-6-quinazolinyl)-2-propen-1-yl)-; ACETAMIDE, 2-METHOXY-N-[3-[4-[[3-METHYL-4-[(6-METHYL-3-PYRIDINYL)OXY]PHENYL]AMINO]-6-QUINAZOLINYL]-2-PROPEN-1-YL]-; SCHEMBL95109; 2-Methoxy-N-(3-(4-((3-methyl-4-((6-methyl-3-pyridinyl)oxy)phenyl)amino)-6-quinazolinyl)-2-propenyl)acetamide; MLS006011185; GTPL7883; SCHEMBL4617807; BDBM31340; CHEBI:91331; cid_9874913; SYN1033; CHEBI:167658; BCPP000275; 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide; BCP01844; EX-A2355; ZINC3817105; 2337AH; NSC780042; NSC800078; s1167; AKOS005146427; BCP9000546; CCG-269443; CS-W009630; DB12302; EX-8511; HY-W008914; NSC-780042; NSC-800078; NCGC00263101-04; NCGC00263101-07; (E)-2-methoxy-N-(3-(4-((3-methyl-4-((6-methylpyridin-3-yl)oxy)phenyl)amino)quinazolin-6-yl)allyl)acetamide; 2-methoxy-N-[(2E)-3-[4-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)quinazolin-6-yl]prop-2-en-1-yl]acetamide; 2-methoxy-N-[(E)-3-[4-[3-methyl-4-[(6-methyl-3-pyridyl)oxy]anilino]quinazolin-6-yl]allyl]acetamide; AC-32043; AM808085; AS-16200; BC165637; SMR004702954; DB-028138; SW219420-1; X7480; CP724714, >=98% (HPLC); A923517; J-501857; BRD-K76908866-001-02-7; Q27076902; (E)-Ethyl (3-(4-((3-methyl-4-((6-methylpyridin-3-yl)oxy)pheny)amino)quinazolin-6-yl)allyl)carbamate; 2-Methoxy-N-((E)-3-{4-[3-methyl-4-(6-methyl-pyridin-3-yloxy)-phenylamino]-quinazolin-6-yl}-allyl)-acetamide; 2-methoxy-N-[(2E)-3-(4-{3-methyl-4-[(6-methylpyridin-3-yl)oxy]anilino}quinazolin-6-yl)prop-2-en-1-yl]acetamide; 2-methoxy-N-[(E)-3-[4-[[3-methyl-4-(6-methylpyridin-3-yl)oxy-phenyl]amino]quinazolin-6-yl]prop-2-enyl]ethanamide; 2-methoxy-N-[(E)-3-[4-[[3-methyl-4-(6-methylpyridin-3-yl)oxyphenyl]amino]quinazolin-6-yl]prop-2-enyl]acetamide; 2-methoxy-N-[(E)-3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide; Acetamide,2-methoxy-N-[3-[4-[[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]amino]-6-quinazolinyl]-2-propenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780042	.	.	.	.	469.5	C27H27N5O3	98.3	692	4.3	35	2	7	9	"InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+"	CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C	LLVZBTWPGQVVLW-SNAWJCMRSA-N
DG64467	NSC759850	9877265	"(1S,2S,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)(hydroxy)methylidene]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate; C43H53NO14; SCHEMBL903452; GLXC-03044; Pharmakon1600-01502273; NSC759850; s1148; AKOS032440644; AKOS037515759; CCG-264837; MCULE-5751666036; NSC-759850; NCGC00386132-02; AB01274778-01; AB01274778_02; AB01274778_03; BRD-A05821830-001-01-5; (1S,2S,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)(hydroxy)methylidene]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate; 1,7beta,10beta-trihydroxy-9-oxo-5beta,20-epoxytax-11-ene-2alpha,4,13alpha-triyl 4-acetate 2-benzoate 13-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoate}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759850	.	.	.	.	807.9	C43H53NO14	224	1660	1.6	58	5	14	13	"InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33 ,35-,41+,42-,43+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-JXHJHTFNSA-N
DG64468	"1H-Indole, 3,3'-methylenebis[5-fluoro-"	9882204	"1H-Indole, 3,3'-methylenebis[5-fluoro-; 215997-93-6; PSB-15160; Di(5-fluoro-1H-indole-3-yl)methane; 3,3'-Methylenebis(5-fluoro-1H-indole); 3,5'-difluoroindolyl)methane; CHEMBL4101728; SCHEMBL18383118; 5-fluoro-3-[(5-fluoro-1H-indol-3-yl)methyl]-1H-indole; DTXSID70432334; NSC734100; NSC-734100; 3,3'-Methylenebis(5-fluoro-1H-indole); 5,5'-Difluoro-3,3'-methanediyl-bis-indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734100	.	.	.	.	282.29	C17H12F2N2	31.6	344	4.3	21	2	2	2	"InChI=1S/C17H12F2N2/c18-12-1-3-16-14(6-12)10(8-20-16)5-11-9-21-17-4-2-13(19)7-15(11)17/h1-4,6-9,20-21H,5H2"	C1=CC2=C(C=C1F)C(=CN2)CC3=CNC4=C3C=C(C=C4)F	BEBUKYWOUXBVEE-UHFFFAOYSA-N
DG64469	PI-103	9884685	"PI-103; 371935-74-9; PI103; 3-(4-morpholinopyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol; PI 103; UNII-YQX02F616F; Phenol, 3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]-; PIK-103; YQX02F616F; CHEBI:90524; 371935-74-9 (free base); 3-[4-(4-Morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol; PI-103 hydrobromide; 3-[6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenol; 3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenol; 3-(4-(4-Morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol; 3-(4-Morpholin-4-Ylpyrido[3',2':4,5]furo[3,2-D]pyrimidin-2-Yl)phenol; Phenol, 3-(4-(4-morpholinyl)pyrido(3',2':4,5)furo(3,2-d)pyrimidin-2-yl)-; X6K; PI 103 hydrobromide; Kinome_3597; 2x6k; mTOR Inhibitor, PI103; PI-103 HCl; MLS006010988; SCHEMBL258242; CHEMBL573339; GTPL5701; BDBM25045; cid_9884685; DTXSID40190676; EX-A039; PIK 103; QCR-256; SYN1065; 4l23; pyridofuropyrimidine derivative, 2; BCPP000107; HMS3229C15; HMS3244E11; HMS3244E12; HMS3244F11; HMS3295E19; HMS3650M10; HMS3654E09; AMY23717; BCP01923; BCP19373; ZINC3963016; MFCD11983145; NSC759676; NSC776996; s1038; AKOS024462563; CCG-101301; compound 2 [PMID: 17601739]; CS-0127; NSC-759676; NSC-776996; NCGC00187906-01; NCGC00187906-02; NCGC00187906-03; NCGC00187906-15; 3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol; 3-[6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl]phenol; AC-31514; AS-16221; HY-10115; SMR002530603; FT-0712341; SW218117-2; X7432; EC-000.2123; 935P749; SR-01000946304; SR-01000946304-1; BRD-K67868012-003-01-5; Q27088379; 3-(4-morpholinopyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenol; 3-[4-(4-morpholinyl)-2-pyrido[2,3]furo[2,4-b]pyrimidinyl]phenol; 3-(4-(4-morpholinyl)pyrido[3 ,2 :4,5]furo[3,2-d]pyrimidin-2- yl)phenol; 3-(4-morpholin-4-ylpyrido[3 ,2 :4,5]furo[3,2-d]pyrimidin-2-yl)phenol; 3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]; 3-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol; 3-[6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-4-yl]phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759676	.	.	.	.	348.4	C19H16N4O3	84.5	489	2.7	26	1	7	2	"InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2"	C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O	TUVCWJQQGGETHL-UHFFFAOYSA-N
DG64470	Unii-O5YT36mst0	9885748	"UNII-O5YT36MST0; O5YT36MST0; EF-24; CHEMBL379849; 342808-40-6; SCHEMBL8119310; BDBM50431030; NSC716993; NSC762346; ZINC34009101; NSC-716993; NSC-762346; 917813-75-3; EF-24, >=98% (HPLC); 3,5-bis(2-flurobenzylidene) piperidin-4-one; (3E,5E)-3,5-Bis((2-fluorophenyl)methylene)-4-piperidinone; 4-Piperidinone, 3,5-bis((2-fluorophenyl)methylene)-, (3E,5E)-; 4-Piperidinone, 3,5-bis[(2-fluorophenyl)methylene]-, acetate, (3E,5E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716993	.	.	.	.	311.3	C19H15F2NO	29.1	458	3.4	23	1	4	2	"InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2/b15-9+,16-10+"	C\\1NC/C(=C\\C2=CC=CC=C2F)/C(=O)/C1=C/C3=CC=CC=C3F	NIVYQYSNRUIFIF-KAVGSWPWSA-N
DG64471	Unii-Q2L4XU3YX6	9886593	"346689-77-8; XR-11576; MLN-576; UNII-Q2L4XU3YX6; Q2L4XU3YX6; (R)-N-(1-(dimethylamino)propan-2-yl)-4-methoxybenzo[a]phenazine-11-carboxamide; Benzo(a)phenazine-11-carboxamide, N-((1R)-2-(dimethylamino)-1-methylethyl)-4-methoxy-; Benzo[a]phenazine-11-carboxamide, N-[(1R)-2-(dimethylamino)-1-methylethyl]-4-methoxy-; CHEMBL162781; SCHEMBL23583616; NSC754365; NSC-754365; XR11576; 4-Methoxy-benzo[a]phenazine-11-carboxylic acid (2-dimethylamino-1(R)-methyl-ethyl)-amide; 4-Methoxy-benzo[a]phenazine-11-carboxylic acid (2-dimethylamino-1-(R)-methyl-ethyl)-amide,; N-((1R)-2-(Dimethylamino)-1-methyl-ethyl)-4-methoxy-benzo(a)phenazine-11-carboxamide; N-[(2R)-1-(dimethylamino)propan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide; 4-methoxy-benzo[a]phenazine-11-carboxylic acid (2-(dimethylamino)-1-(r)-methyl-ethyl)-amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754365	.	.	.	.	388.5	C23H24N4O2	67.4	571	3.6	29	1	5	5	"InChI=1S/C23H24N4O2/c1-14(13-27(2)3)24-23(28)17-8-5-9-18-22(17)26-21-16-7-6-10-20(29-4)15(16)11-12-19(21)25-18/h5-12,14H,13H2,1-4H3,(H,24,28)/t14-/m1/s1"	C[C@H](CN(C)C)NC(=O)C1=C2C(=CC=C1)N=C3C=CC4=C(C3=N2)C=CC=C4OC	ACAXGYADTLFREX-CQSZACIVSA-N
DG64472	Unii-5TT4A4mblr	9886720	"UNII-5TT4A4MBLR; CT-32228; 5TT4A4MBLR; 521064-34-6; CHEMBL36501; 2-N-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2,4-diamine; CT 32228; SCHEMBL13622457; BDBM50141287; NSC762419; NSC-762419; Q27262860; 1,3,5-Triazine-2,4-diamine, N-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-; N-(4-Bromo-phenyl)-6-(5-chloro-2-methyl-phenyl)-[1,3,5]triazine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762419	.	.	.	.	390.7	C16H13BrClN5	76.7	380	4.8	23	2	5	3	"InChI=1S/C16H13BrClN5/c1-9-2-5-11(18)8-13(9)14-21-15(19)23-16(22-14)20-12-6-3-10(17)4-7-12/h2-8H,1H3,(H3,19,20,21,22,23)"	CC1=C(C=C(C=C1)Cl)C2=NC(=NC(=N2)NC3=CC=C(C=C3)Br)N	NUPGPJBRKLLVNK-UHFFFAOYSA-N
DG64473	Hmn-214	9888590	"HMN-214; 173529-46-9; IVX-214; UNII-94E9UR0RFR; 94E9UR0RFR; HMN214; (E)-4-(2-(N-((4-methoxyphenyl)sulfonyl)acetamido)styryl)pyridine 1-oxide; (E)-4-(2-(2-(N-Acetyl-N-((p-methoxyphenyl)sulfonyl)amino)phenyl)ethenyl)pyridine 1-oxide; C22H20N2O5S; (E)-4-[2-[2-[N-acetyl-N-[(4-methoxyphenyl)sulfonyl]amino]phenyl]ethenyl]pyridine 1-oxide; HMN 214; (E)-4-[2-[2-[N-Acetyl-N-[(p-methoxyphenyl)sulfonyl]amino]phenyl]ethenyl]pyridine 1-oxide; N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]acetamide; Acetamide, N-((4-methoxyphenyl)sulfonyl)-N-(2-((1E)-2-(1-oxido-4-pyridinyl)ethenyl)phenyl)-; Acetamide, N-[(4-methoxyphenyl)sulfonyl]-N-[2-[(1E)-2-(1-oxido-4-pyridinyl)ethenyl]phenyl]-; MLS006011062; SCHEMBL5173713; SCHEMBL5173720; CHEMBL3991927; CHEBI:91440; AOB4473; BCPP000212; ZINC602090; EX-A1158; MFCD12756255; NSC800767; s1485; AKOS027270086; BCP9000762; CCG-268936; CS-0202; NSC-800767; (E)-4-(2-(2-(N-Acetyl-N-(4-methoxybenzenesulfonyl)amino)stilbazole)) 1-oxide; AC-32847; AS-74407; HY-12045; SMR004702854; SW219842-1; X7375; A811525; SR-03000003276; SR-03000003276-1; BRD-K70511574-001-01-0; Q27271675; 4-[(1E)-2-{2-[N-(4-methoxybenzenesulfonyl)acetamido]phenyl}ethenyl]pyridin-1-ium-1-olate; N-[(4-Methoxyphenyl)sulfonyl]-N-[2-[(1E)-2-(1-oxido-4-pyridinyl)ethenyl]phenyl]-acetamide; Acetamide, N-((4-methoxyphenyl)sulfonyl)-N-(2-(2-(1-oxido-4-pyridinyl)ethenyl)phenyl)-, (E)-; Acetamide, N-[(4-methoxyphenyl)sulfonyl]-N-[2-[(1E)-2-(1-oxido-4-pyridinyl)ethenyl]phenyl]; N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-(1-oxidanidylpyridin-1-ium-4-yl)ethenyl]phenyl]ethanamide; N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-(1-oxido-4-pyridin-1-iumyl)ethenyl]phenyl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800767	.	.	.	.	424.5	C22H20N2O5S	97.5	689	2.6	30	0	5	6	"InChI=1S/C22H20N2O5S/c1-17(25)24(30(27,28)21-11-9-20(29-2)10-12-21)22-6-4-3-5-19(22)8-7-18-13-15-23(26)16-14-18/h3-16H,1-2H3/b8-7+"	CC(=O)N(C1=CC=CC=C1/C=C/C2=CC=[N+](C=C2)[O-])S(=O)(=O)C3=CC=C(C=C3)OC	OCKHRKSTDPOHEN-BQYQJAHWSA-N
DG64474	6-[3-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine	9893150	GW568377A; CHEMBL213822; SCHEMBL2101850; NSC756256; NSC-756256; NCGC00242222-01; AB01092310-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756256	.	.	.	.	528.6	C29H28N4O4S	115	810	4.4	38	2	8	11	"InChI=1S/C29H28N4O4S/c1-38(34,35)16-14-30-18-23-13-15-36-28(23)22-7-12-27-26(17-22)29(32-20-31-27)33-24-8-10-25(11-9-24)37-19-21-5-3-2-4-6-21/h2-13,15,17,20,30H,14,16,18-19H2,1H3,(H,31,32,33)"	CS(=O)(=O)CCNCC1=C(OC=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5	ZBBOYUJFPDIEDF-UHFFFAOYSA-N
DG64475	NSC631941	9893161	"6-[9-[1-formyl-(Z)-ethylidene]-1,6-dihydroxy-10-(3-hydroxypropyl)-6-methyl-(5S,6S)-spiro[4.5]dec-2-yl]-2-(4-methyl-3-pentenyl)-(2Z,4E)-2,4,6-heptatrienyl acetate; CHEMBL123519; NSC-631941; NSC631941; 29-Acetoxyspiroiridal; 16,15-dihydro-spiroiridal; KPFIRSWIEJGVNZ-DDKMFYJYSA-; BDBM50106244; (+)-(6R,11S,14S,26R)-29-Acetoxy-26-hydroxy-15,28; 6-[9-[1-formyl-(Z)-ethylidene]-1,6-dihydroxy-10-(3-hydroxypropyl)-6-methyl-(5S,6S)-spiro[4.5]dec-2-yl]-2-(4-methyl-3-pentenyl)-(2Z,4E)-2,4,6-heptatrienyl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631941	.	.	.	.	528.7	C32H48O6	104	982	4.8	38	3	6	13	"InChI=1S/C32H48O6/c1-22(2)10-7-12-26(21-38-25(5)35)13-8-11-23(3)28-16-18-32(30(28)36)29(14-9-19-33)27(24(4)20-34)15-17-31(32,6)37/h8,10-11,13,20,28-30,33,36-37H,3,7,9,12,14-19,21H2,1-2,4-6H3/b11-8+,26-13-,27-24-/t28-,29+,30+,31-,32-/m0/s1"	CC(=CCC/C(=C/C=C/C(=C)[C@@H]1CC[C@@]2([C@@H]1O)[C@@H](/C(=C(/C)\\C=O)/CC[C@]2(C)O)CCCO)/COC(=O)C)C	KPFIRSWIEJGVNZ-DDKMFYJYSA-N
DG64476	Kahalalide F	9898671	"Kahalalide F; UNII-BQD6E2ZXEA; BQD6E2ZXEA; 149204-42-2; Kahalide F; SCHEMBL60285; CHEMBL513639; NSC668814; NSC-668814; Q27274814; 1-Oxa-4,10,13,16-pentaazacyclononadecane, cyclic peptide derivative; L-Valine, N-(5-methyl-1-oxohexyl)-D-valyl-L-threonyl-L-valyl-D-valyl-D-prolyl-L-ornithyl-D-alloisoleucyl-D-allothreonyl-D-alloisoleucyl-D-valyl-L-phenylalanyl-(2Z)-2-amino-2-butenoly-(13.fwdarw.8)-lactone; Valine, N-(5-methyl-1-oxohexyl)valylthreonylvalylvalyl-D-prolyl-L-ornithyl-D-alloisoleucylthreonyl-D-alloisoleucylvalyl-L-phenylalanyl-(Z)-2,3-didehydro-2-aminobutanoyl-, rho-lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668814	.	.	.	.	1477.9	C75H124N14O16	442	2990	7.4	105	14	17	33	"InChI=1S/C75H124N14O16/c1-20-44(16)59(71(100)88-62-47(19)105-75(104)58(43(14)15)84-63(92)49(22-3)77-65(94)51(37-48-30-24-23-25-31-48)79-67(96)55(40(8)9)81-70(99)60(45(17)21-2)86-73(62)102)85-64(93)50(32-27-35-76)78-66(95)52-33-28-36-89(52)74(103)57(42(12)13)83-69(98)56(41(10)11)82-72(101)61(46(18)90)87-68(97)54(39(6)7)80-53(91)34-26-29-38(4)5/h22-25,30-31,38-47,50-52,54-62,90H,20-21,26-29,32-37,76H2,1-19H3,(H,77,94)(H,78,95)(H,79,96)(H,80,91)(H,81,99)(H,82,101)(H,83,98)(H,84,92)(H,85,93)(H,86,102)(H,87,97)(H,88,100)/b49-22-/t44-,45-,46+,47+,50-,51-,52+,54+,55+,56-,57+,58-,59+,60+,61-,62+/m0/s1"	CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N/C(=C\\C)/C(=O)N[C@H](C(=O)O[C@@H]([C@H](C(=O)N1)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C(C)C)NC(=O)CCCC(C)C)C)C(C)C)CC3=CC=CC=C3)C(C)C	RCGXNDQKCXNWLO-YUHQQKLOSA-N
DG64477	"2-(2,7-dimethyl-1H-isoindole-1,3(2H)-dio ne"	9900551	"CPS42; CHEMBL68691; SCHEMBL4386590; NSC726794; NSC-726794; 2-(2,7-dimethyl-1H-isoindole-1,3(2H)-dio ne"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726794	.	.	.	.	287.26	C16H11F2NO2	37.4	428	3.4	21	0	4	1	"InChI=1S/C16H11F2NO2/c1-8-3-4-9(2)14-13(8)15(20)19(16(14)21)12-6-5-10(17)7-11(12)18/h3-7H,1-2H3"	CC1=C2C(=C(C=C1)C)C(=O)N(C2=O)C3=C(C=C(C=C3)F)F	GGHDSBMLSIVVPC-UHFFFAOYSA-N
DG64478	4'-Thio-fac	9903330	"4'-Thio-fac; FF-10502; UNII-R5B1HX1HUY; R5B1HX1HUY; 184302-49-6; SCHEMBL1986004; NSC802004; NSC-802004; 4-amino-1-[(2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one; 2'beta-Fluoro-4'-O-thia-2'-deoxycytidine; HY-115528; CS-0087390; 1-(2-deoxy-2-fluoro-4-thio-beta-d-arabinofuranosyl)cytosine; 4-amino-1-((2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl)pyrimidin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	802004	.	.	.	.	261.279	C9H12FN3O3S	124	390	-0.8	17	3	5	2	"InChI=1S/C9H12FN3O3S/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7-,8-/m1/s1"	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](S2)CO)O)F	NIDPJRZOVFIBQB-PXBUCIJWSA-N
DG64479	"2-(2,4-difluorophenyl)-4,5,6,7-tetrafluoro-1H-isoindole-1,3(2H)-dione"	9905583	"2-(2,4-difluorophenyl)-4,5,6,7-tetrafluoro-1H-isoindole-1,3(2H)-dione; 352017-52-8; 2-(2,4-difluorophenyl)-4,5,6,7-tetrafluoroisoindole-1,3-dione; CPS 49; CPS49; CHEMBL302582; SCHEMBL4386600; DTXSID2091544; NSC726796; NSC-726796; 2-(2,5,6,7-tetrafluoro-1H-isoindole-1,3 (2H)-dione; 4,5,6,7-tetrafluoro-2-(2,4-difluorophenyl)isoindol-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726796	.	.	.	.	331.17	C14H3F6NO2	37.4	488	3.1	23	0	8	1	InChI=1S/C14H3F6NO2/c15-4-1-2-6(5(16)3-4)21-13(22)7-8(14(21)23)10(18)12(20)11(19)9(7)17/h1-3H	C1=CC(=C(C=C1F)F)N2C(=O)C3=C(C2=O)C(=C(C(=C3F)F)F)F	YSJCNZQEYLMVPJ-UHFFFAOYSA-N
DG64480	2-(4-Fluorophenoxy)-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine	9910722	CHEMBL269450; SB-242717; SCHEMBL4915591; HMS3303L23; HMS3305A08; BDBM50099362; NSC756424; NSC-756424; NCGC00242214-01; AB01092358-01; 2-(4-Fluorophenoxy)-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine; 2-(4-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756424	.	.	.	.	433.5	C24H21F2N5O	64.9	579	3.7	32	1	7	5	"InChI=1S/C24H21F2N5O/c25-17-3-1-16(2-4-17)22-23(31(15-29-22)19-9-12-27-13-10-19)21-11-14-28-24(30-21)32-20-7-5-18(26)6-8-20/h1-8,11,14-15,19,27H,9-10,12-13H2"	C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=C(C=C4)F)C5=CC=C(C=C5)F	XRMIXMGGCDFGRF-UHFFFAOYSA-N
DG64481	Agn-PC-0mvjz6	9911352	"453531-58-3; AGN-PC-0MVJZ6; DTXSID00432726; NSC727152; NSC-727152; 1,5-Cyclohexanetriamine, N,N',N''-tris[(3-methyl-2-pyridinyl)methyl]-, (1.alpha.,3.alpha.,5.alpha.)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727152	.	.	.	.	444.6	C27H36N6	74.8	471	2.5	33	3	6	9	"InChI=1S/C27H36N6/c1-19-7-4-10-28-25(19)16-31-22-13-23(32-17-26-20(2)8-5-11-29-26)15-24(14-22)33-18-27-21(3)9-6-12-30-27/h4-12,22-24,31-33H,13-18H2,1-3H3"	CC1=C(N=CC=C1)CNC2CC(CC(C2)NCC3=C(C=CC=N3)C)NCC4=C(C=CC=N4)C	NBJZSAVTZXVLDY-UHFFFAOYSA-N
DG64482	Tivozanib	9911830	"Tivozanib; 475108-18-0; AV-951; Tivozanib (AV-951); KRN-951; AV 951; AV951; KRN951; 1-(2-Chloro-4-((6,7-dimethoxyquinolin-4-yl)oxy)phenyl)-3-(5-methylisoxazol-3-yl)urea; KRN 951; N-[2-CHLORO-4-[(6,7-DIMETHOXY-4-QUINOLYL)OXY]PHENYL]-N'-(5-METHYL-3-ISOXAZOLYL)UREA; UNII-172030934T; CHEMBL1289494; AV-951;KRN951; 1-(2-CHLORO-4-(6,7-DIMETHOXYQUINOLIN-4-YLOXY)PHENYL)-3-(5-METHYLISOXAZOL-3-YL)UREA; 1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea; 172030934T; fotivda; Kil-8951; 1-(2-Chloro-4-((6,7-dimethoxyquinolin-4-yl)-oxy)phenyl)-3-(5-methylisoxazol-3-yl)urea; N-(2-Chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea; ASP-4130; Tivozanib [USAN:INN]; 4ase; KIL8951; N-{2-Chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}-N'-(5-methyl-3-isoxazolyl)urea; AV-951,Tivozanib; Tivozanib(AV-951); AV951 cpd; Tivozanib (USAN/INN); Tivozanib - AV-951; MLS006011287; SCHEMBL172883; GTPL6058; CHEBI:91327; DTXSID20963865; EX-A472; SYN1013; HMS3229O09; HMS3244C19; HMS3244C20; HMS3244D19; HMS3265A11; HMS3265A12; HMS3265B11; HMS3265B12; HMS3654G22; HMS3745C05; AMY39975; AOB87139; BCP01980; ZINC1489430; VEGFR Tyrosine Kinase Inhibitor IV; BDBM50331095; MFCD15146788; NSC758007; NSC800952; s1207; AKOS022177607; AV951 (KRN951, TIVOZANIB); BCP9000343; CCG-206805; CS-0103; DB11800; EX-8600; NSC-758007; NSC-800952; PB28569; NCGC00249390-01; NCGC00249390-05; NCGC00249390-12; AC-24702; AS-16997; BT160380; HY-10977; SMR004703037; FT-0700315; SW219364-1; X4932; A24970; D09683; 108K180; J-502964; Q7810457; BRD-K53414658-001-01-7; 1-{2-chloro-4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-3-(5-methyl-1,2-oxazol-3-yl)urea; N-{2-Chloro-4-[(6,7-dimethoxy-4-quinolyl)-oxy]phenyl}-N'-(5-methyl-3-isoxazolyl)urea; Urea, N-(2-chloro-4-((6,7-dimethoxy-4-quinolinyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)-; 1-(2-chloro-4-(6,7-dimethoxyquinolin-4-yloxy)phenyl)-3-(5-methylisoxazol-3-yl)urea;AV-951; 1-{2-chloro-4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-3-[(3E)-5-methylisoxazol-3(2H)-ylidene]urea; AV9; N'-{2-Chloro-4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-N-(5-methyl-1,2-oxazol-3(2H)-ylidene)carbamimidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758007	.	.	.	.	454.9	C22H19ClN4O5	108	631	4	32	2	7	6	"InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28)"	CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl	SPMVMDHWKHCIDT-UHFFFAOYSA-N
DG64483	(E)-But-2-enedioic acid;N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide	9912089	FORMOTEROL FUMARATE; 169375-55-7; MLS003115739; (E)-But-2-enedioic acid;N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide; Oxis; NSC-299587; SCHEMBL3670606; CHEMBL1893395; SCHEMBL15421797; NSC299587; AKOS025401373; SMR001831310	.	.	Investigative Drug(s)	Investigative	Small molecular drug	299587	.	.	.	.	460.5	C23H28N2O8	165	507	.	33	6	9	10	"InChI=1S/C19H24N2O4.C4H4O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22;5-3(6)1-2-4(7)8/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+"	CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O.C(=C/C(=O)O)\\C(=O)O	ZDUPYZMAPCZGJO-WLHGVMLRSA-N
DG64484	(Bis-allyl)amino-wortmannin	9914803	PX-866; NSC-722134; (Bis-allyl)amino-wortmannin; SCHEMBL12506213; SCHEMBL19148132; 502632-66-8; NSC722134; ZINC97972505; 1351998-83-8	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722134	.	.	.	.	525.6	C29H35NO8	119	1200	1.7	38	1	9	9	"InChI=1S/C29H35NO8/c1-7-11-30(12-8-2)14-17-23-26(34)25(33)22-18-9-10-20(32)28(18,4)13-19(37-16(3)31)24(22)29(23,5)21(15-36-6)38-27(17)35/h7-8,14,18-19,21,34H,1-2,9-13,15H2,3-6H3/b17-14-/t18-,19+,21+,28-,29-/m0/s1"	CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)/C(=C\\N(CC=C)CC=C)/C4=C(C3=O)O)COC)C)C	QIUASFSNWYMDFS-BMALJEQOSA-N
DG64485	N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)-6-(5-((2-(phenylsulfonyl)ethoxy)methyl)furan-2-yl)quinazolin-4-amine	9917474	CHEMBL212250; GW615311X; SCHEMBL4006420; HMS3303B22; HMS3305K04; BDBM50189128; NSC756279; NSC-756279; NCGC00242188-01; AB01092318-01; N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)-6-(5-((2-(phenylsulfonyl)ethoxy)methyl)furan-2-yl)quinazolin-4-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756279	.	.	.	.	644.1	C34H27ClFN3O5S	112	1020	7	45	1	9	12	"InChI=1S/C34H27ClFN3O5S/c35-30-19-26(10-13-33(30)43-20-23-5-4-6-25(36)17-23)39-34-29-18-24(9-12-31(29)37-22-38-34)32-14-11-27(44-32)21-42-15-16-45(40,41)28-7-2-1-3-8-28/h1-14,17-19,22H,15-16,20-21H2,(H,37,38,39)"	C1=CC=C(C=C1)S(=O)(=O)CCOCC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)Cl	JLBVWHHVKVXOOR-UHFFFAOYSA-N
DG64486	Avn-944	9918559	"AVN-944; 297730-17-7; AVN944; AVN 944; UNII-I3NPL1V48Q; I3NPL1V48Q; (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(3-methoxy-4-(oxazol-5-yl)phenyl)ureido)phenyl)ethyl)carbamate; VX-944; 501345-02-4; CHEMBL3349001; SCHEMBL19784823; AOB5557; DTXSID80183921; EX-A778; XLA73017; ZINC3963015; MFCD22200574; NSC767601; CS-3427; NSC-767601; NCGC00345803-01; NCGC00345803-05; AS-16899; HY-13560; A13652; F13061; Q27280339; (2R)-1-cyanobutan-2-yl N-[(1S)-1-[3-({[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoyl}amino)phenyl]ethyl]carbamate; [(2R)-1-cyanobutan-2-yl] N-[(1S)-1-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]ethyl]carbamate; Carbamic acid, ((1S)-1-(3-((((3-methoxy-4-(5-  oxazolyl)phenyl)amino)carbonyl)amino)phenyl)ethyl)-, (1R)-1-(cyanomethyl)propyl ester; Carbamic acid, ((1S)-1-(3-((((3-methoxy-4-(5-oxazolyl)phenyl)amino)carbonyl)amino)phenyl)ethyl)-, (1R)-1-(cyanomethyl)propyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767601	.	.	.	.	477.5	C25H27N5O5	139	743	3.1	35	3	7	10	"InChI=1S/C25H27N5O5/c1-4-20(10-11-26)35-25(32)28-16(2)17-6-5-7-18(12-17)29-24(31)30-19-8-9-21(22(13-19)33-3)23-14-27-15-34-23/h5-9,12-16,20H,4,10H2,1-3H3,(H,28,32)(H2,29,30,31)/t16-,20+/m0/s1"	CC[C@H](CC#N)OC(=O)N[C@@H](C)C1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)C3=CN=CO3)OC	GYCPCOJTCINIFZ-OXJNMPFZSA-N
DG64487	Dmapt	9926121	DMAPT; NSC734325; Dimethyl amino parthenolide; CHEMBL1197202; CHEMBL3582134; SCHEMBL16419384; dimethylaminomethyl(dimethyl)[ ]one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734325	.	.	.	.	293.4	C17H27NO3	42.1	459	1.9	21	0	4	2	"InChI=1S/C17H27NO3/c1-11-6-5-9-17(2)15(21-17)14-12(8-7-11)13(10-18(3)4)16(19)20-14/h6,12-15H,5,7-10H2,1-4H3/b11-6+/t12-,13-,14-,15-,17+/m0/s1"	C/C/1=C\\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)[C@@H](C(=O)O3)CN(C)C)C	UJNSFDHVIBGEJZ-ONGJMVGKSA-N
DG64488	4-Methyl-3-{[6-(Methylsulfonyl)quinolin-4-Yl]amino}phenol	9927432	"GW559768X; 4-Methyl-3-{[6-(Methylsulfonyl)quinolin-4-Yl]amino}phenol; CHEMBL237347; SCHEMBL2592805; BDBM25198; HMS3303K17; HMS3305H13; NSC756251; 6-substituted 4-anilinoquinoline, 38; NSC-756251; NCGC00242134-01; J3.496.859D; AB01092413-01; Q27456386; 3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methylphenol; 6GE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756251	.	.	.	.	328.4	C17H16N2O3S	87.7	505	3	23	2	5	3	"InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19)"	CC1=C(C=C(C=C1)O)NC2=C3C=C(C=CC3=NC=C2)S(=O)(=O)C	BVHZLDLRNBQWRF-UHFFFAOYSA-N
DG64489	"(2S,3S)-2-[(3-Methoxy-5-methyl-1-naphthalenylcarbonyl)oxy]-3-methyl-3,4-epoxybutanamide"	9927456	"CHEMBL78703; SCHEMBL13698606; NSC727012; NSC-727012; (2S,4-Epoxy-2-(3-methoxy-5-methyl-1-naphthoyloxy)-3-methylbutanamide; (2S,3S)-2-[(3-Methoxy-5-methyl-1-naphthalenylcarbonyl)oxy]-3-methyl-3,4-epoxybutanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727012	.	.	.	.	329.3	C18H19NO5	91.2	510	2.2	24	1	5	6	"InChI=1S/C18H19NO5/c1-10-5-4-6-12-13(10)7-11(22-3)8-14(12)17(21)24-15(16(19)20)18(2)9-23-18/h4-8,15H,9H2,1-3H3,(H2,19,20)/t15-,18+/m1/s1"	CC1=C2C=C(C=C(C2=CC=C1)C(=O)O[C@H](C(=O)N)[C@@]3(CO3)C)OC	KDYGKLQSWCCUFT-QAPCUYQASA-N
DG64490	5-Ethyl-1-phenyl-5-(tetrafluorophthalimido)barbituric acid	9933393	5-ethyl-1-phenyl-5-(tetrafluorophthalimido)barbituric acid; CPS45; SCHEMBL826295; CHEMBL305043; NSC726795; NSC-726795	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726795	.	.	.	.	449.3	C20H11F4N3O5	104	849	2.5	32	1	9	3	"InChI=1S/C20H11F4N3O5/c1-2-20(17(30)25-19(32)26(18(20)31)8-6-4-3-5-7-8)27-15(28)9-10(16(27)29)12(22)14(24)13(23)11(9)21/h3-7H,2H2,1H3,(H,25,30,32)"	CCC1(C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C(=C(C(=C4F)F)F)F	VEOGKKIBNYROKA-UHFFFAOYSA-N
DG64493	Birabresib	9936746	"birabresib; 202590-98-5; OTX015; OTX-015; OTX 015; MK-8628; OTX-015 anhydrous; UNII-X40LKS49S3; X40LKS49S3; (S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide; (S)-2-(4-(4-Chlorophenyl)-2,3,9-triMethyl-6H-thieno[3,2-f][1,2,4]-triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetaMide; 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6S)-; (6S)-4-(4-Chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide; (S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide.; 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-hydroxyphenyl)acetamide; 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-6-acetamide, 4-(4-chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6S)-; Birabresib [USAN]; Y-803 anhydrous; MK-8628;Birabresib; OTX015 (Birabresib); Birabresib (USAN/INN); OTX015 ANHYDROUS; GTPL8359; SCHEMBL2898131; CHEMBL3581647; AOB1627; EX-A640; ZINC3960759; 2619AH; BDBM50092312; MFCD26960949; NSC778747; s7360; AKOS027323345; CCG-264724; CS-1598; DB15189; NSC-778747; NCGC00356067-01; NCGC00356067-12; (S)-4-(4-Chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide; BP-25368; HY-15743; OTX015, >=98% (HPLC); D10911; OTX015  pound MK 8628/Birabresib pound(c); J-690257; Q27075296; (S)-2-(4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide, AldrichCPR; (S)-2-(4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide;; (S)-N-(4-hydroxyphenyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide; 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f]-[1, 2, 4] triazolo [4,3-a] [1, 4] diazepin-6-yl]-N-(4-hydroxyphenyl)-acetamide dehydrate; 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(4-hydroxyphenyl)acetamide; 6JE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	778747	.	.	.	.	492	C25H22ClN5O2S	121	770	4.5	34	2	6	4	"InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1"	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C	GNMUEVRJHCWKTO-FQEVSTJZSA-N
DG64494	(4-Benzyloxy-3-chloro-phenyl)-{6-[5-(1-oxo-1lambda*4*-thiomorpholin-4-ylmethyl)-furan-2-yl]-quinazolin-4-yl}-amine	9937660	CHEMBL212965; BDBM50189123; NSC756274; NSC-756274; NCGC00242177-01; AB01092317-01; (4-benzyloxy-3-chloro-phenyl)-{6-[5-(1-oxo-1lambda*4*-thiomorpholin-4-ylmethyl)-furan-2-yl]-quinazolin-4-yl}-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756274	.	.	.	.	559.1	C30H27ClN4O3S	99.7	794	4.9	39	1	8	8	"InChI=1S/C30H27ClN4O3S/c31-26-17-23(7-10-29(26)37-19-21-4-2-1-3-5-21)34-30-25-16-22(6-9-27(25)32-20-33-30)28-11-8-24(38-28)18-35-12-14-39(36)15-13-35/h1-11,16-17,20H,12-15,18-19H2,(H,32,33,34)"	C1CS(=O)CCN1CC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC=CC=C6)Cl	BDCAOKLPNVNFEL-UHFFFAOYSA-N
DG64495	NSC760091	9941647	"Methyl (19E,21E,23E,25E,27E,29E,31E)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,7,9,13,37-heptahydroxy-17-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate; Methyl (19E,21E,23E,25E,27E,29E,31E)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,7,9,13,37-heptahydroxy-17-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate; 11121-32-7; Methyl (19E,21E,23Z,25Z,27E,29E,31E)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,7,9,13,37-heptahydroxy-17-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate; 62534-68-3; NCGC00095053-01; Spectrum5_001711; DSSTox_CID_25900; DSSTox_RID_81212; DSSTox_GSID_45900; BSPBio_002366; SPECTRUM1503432; SCHEMBL8422822; HMS1922C20; HMS2094O21; Pharmakon1600-01503432; Tox21_111405; CCG-40262; NSC760091; SBI-0052887.P002; CAS-11121-32-7; AB00053384_02"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760091	.	.	.	.	1141.3	C60H88N2O19	355	2140	3.6	81	12	21	12	"InChI=1S/C60H88N2O19/c1-36-18-16-14-12-10-8-6-7-9-11-13-15-17-19-48(79-59-56(74)54(61)55(73)38(3)78-59)33-51-53(58(75)77-5)50(71)35-60(76,81-51)34-47(69)30-45(67)28-43(65)26-42(64)27-44(66)29-46(68)32-52(72)80-57(36)37(2)20-25-41(63)31-49(70)39-21-23-40(62-4)24-22-39/h6-19,21-24,36-38,41-43,45-48,50-51,53-57,59,62-65,67-69,71,73-74,76H,20,25-35,61H2,1-5H3/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16+,19-17+/t36 ,37 ,38-,41 ,42 ,43 ,45 ,46 ,47 ,48 ,50 ,51 ,53 ,54+,55-,56+,57 ,59+,60 /m1/s1"	C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC\\2CC3C(C(CC(O3)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC(C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C2)C)C(C)CCC(CC(=O)C4=CC=C(C=C4)NC)O)O)O)O)O)O)O)O)C(=O)OC)O)N)O	GVEVTKSEPQUIJA-FCUPBDNZSA-N
DG64496	"1,3-Dihydro-3-[(1-methyl-1H-indol-3-yl)methylene]-2H-pyrrolo[3,2-b]pyridin-2-one"	9943465	"504433-23-2; GW 441756; 1,3-Dihydro-3-[(1-methyl-1H-indol-3-yl)methylene]-2H-pyrrolo[3,2-b]pyridin-2-one; GW441756; GW-441756; GW441756 hydrochloride; CHEMBL176544; (Z)-3-((1-methyl-1H-indol-3-yl)methylene)-1H-pyrrolo[3,2-b]pyridin-2(3H)-one; 504433-24-3; C17H13N3O; QCR-77; SCHEMBL5787769; (3Z)-3-[(1-methylindol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one; CHEBI:92072; SYN1044; HMS3303P17; HMS3305D02; HMS3884D22; EX-A1842; ZINC3988917; 2452AH; BDBM50142026; NSC756236; s2891; AKOS022488649; BCP9000748; CCG-267200; CS-1409; NSC-756236; NCGC00161398-07; AC-32805; AS-16205; HY-18314; G-190; EC-000.2406; AB01092198-01; J-502592; BRD-K04146668-001-01-3; (3Z)-3-[(1-methylindol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one.; 3-((1-Methyl-1H-indol-3-yl)methylene)-1,3-dihydro-2H-pyrrolo[3,2-b]pyridin-2-one; 3-((1-Methyl-1H-indol-3-yl)methylene)-1H-pyrrolo[3,2-b]pyridin-2(3H)-one; 3-(1-Methyl-1H-indol-3-ylmethylene)-1,3-dihydro-pyrrolo[3,2-b]pyridin-2-one; 3-[(Z)-(1-Methyl-1H-indole-3-yl)methylene]-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-2-one; 3-[1-(1-Methyl-1H-indol-3-yl)-meth-(Z)-ylidene]-1,3-dihydro-pyrrolo[3,2-b]pyridin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756236	.	.	.	.	275.3	C17H13N3O	46.9	461	1.9	21	1	2	1	"InChI=1S/C17H13N3O/c1-20-10-11(12-5-2-3-7-15(12)20)9-13-16-14(19-17(13)21)6-4-8-18-16/h2-10H,1H3,(H,19,21)/b13-9-"	CN1C=C(C2=CC=CC=C21)/C=C\\3/C4=C(C=CC=N4)NC3=O	NXNQLECPAXXYTR-LCYFTJDESA-N
DG64497	"1H-Indole, 3,3'-methylenebis[5-methoxy-"	9944370	"1H-Indole, 3,3'-methylenebis[5-methoxy-; 215997-98-1; 3,5'-dimethoxyindolyl)methane; CHEMBL246298; SCHEMBL5431365; DTXSID10433183; 5-methoxy-3-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole; NSC731013; NSC-731013; 3,3'-Methylenebis(5-methoxy-1H-indole)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731013	.	.	.	.	306.4	C19H18N2O2	50	369	4	23	2	2	4	"InChI=1S/C19H18N2O2/c1-22-14-3-5-18-16(8-14)12(10-20-18)7-13-11-21-19-6-4-15(23-2)9-17(13)19/h3-6,8-11,20-21H,7H2,1-2H3"	COC1=CC2=C(C=C1)NC=C2CC3=CNC4=C3C=C(C=C4)OC	JTPGESPWPBXUEF-UHFFFAOYSA-N
DG64498	"2,3-Dichloro-4-(2,6-diethylanilino)-4-oxo-2-butenoic acid"	9948812	"NSC618605; CHEMBL1985695; ZINC17176596; AKOS024319666; NSC-618605; 2,3-DICHLORO-4-(2,6-DIETHYLANILINO)-4-OXO-2-BUTENOIC ACID; 2-Butenoic acid,3-dichloro-4-[(2,6-diethylphenyl) amino]-4-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618605	.	.	.	.	316.2	C14H15Cl2NO3	66.4	397	4.1	20	2	3	5	"InChI=1S/C14H15Cl2NO3/c1-3-8-6-5-7-9(4-2)12(8)17-13(18)10(15)11(16)14(19)20/h5-7H,3-4H2,1-2H3,(H,17,18)(H,19,20)/b11-10-"	CCC1=C(C(=CC=C1)CC)NC(=O)/C(=C(\\C(=O)O)/Cl)/Cl	JDSFJBVJTZVNIT-KHPPLWFESA-N
DG64499	Plinabulin	9949641	"Plinabulin; 714272-27-2; NPI-2358; Plinabulin (NPI-2358); Plinabulin(NPI-2358); NPI-2358 (Plinabulin); UNII-986FY7F8XR; (3z,6z)-3-Benzylidene-6-[(5-Tert-Butyl-1h-Imidazol-4-Yl)methylidene]piperazine-2,5-Dione; 986FY7F8XR; (3E,6E)-3-Benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione; (3Z,6Z)-3-benzylidene-6-((5-(tert-butyl)-1H-imidazol-4-yl)methylene)piperazine-2,5-dione; Plinabulin [USAN:INN]; NPI 2358; Plinabulin (USAN/INN); KPU-2; SCHEMBL79095; MLS006011262; CHEMBL1096380; EX-A292; NPI2358; CHEBI:177413; AOB87757; ZINC3819466; BDBM50030765; NSC797934; s1176; AKOS005145762; AKOS024463284; BCP9000994; CCG-264849; CS-0506; DB05992; NSC-797934; AC-32812; HY-14444; SMR004703013; BCP0726000116; SW219827-1; X7519; D09655; BRD-K99498722-001-01-8; Q15269699; (3Z,6Z)-3-[[5-(1,1-dimethylethyl)-1H-imidazol-4-yl]methylene]-6-(phenylmethylene)-2,5-Piperazinedione; 2,5-Piperazinedione, 3-((5-(1,1-dimethylethyl)-1H-imidazol-4-yl)methylene)-6-(phenylmethylene)-, (3Z,6Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797934	.	.	.	.	336.4	C19H20N4O2	86.9	597	2.8	25	3	3	3	"InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-"	CC(C)(C)C1=C(N=CN1)/C=C\\2/C(=O)N/C(=C\\C3=CC=CC=C3)/C(=O)N2	UNRCMCRRFYFGFX-TYPNBTCFSA-N
DG64500	Voreloxin	9952884	"Voreloxin; vosaroxin; 175414-77-4; SNS-595; AG 7352; AG-7352; SPC-595; UNII-K6A90IIZ19; K6A90IIZ19; 7-((3S,4S)-3-methoxy-4-(methylamino)pyrrolidin-1-yl)-4-oxo-1-(thiazol-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; C18H19N5O4S; Quinprezo; 7-((3S,4S)-3-methoxy-4-(methylamino)pyrrolidin-1-yl)-4-oxo-1-(thiazol-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid.; SNS 595; SPC 595; Vosaroxin [USAN:INN]; Vosaroxin (USAN); AG7352; 1,4-Dihydro-7-(3-methoxy-4-methylamino-1-pyrrolidinyl)-4-oxo-1-(2-thiazolyl)-1,8-naphthyridine-3-carboxylic acid; (+)-AG-7352; CHEMBL68117; SCHEMBL674441; DTXSID50938662; EX-A847; Voreloxin;SNS-595;AG 7352; 7-[(3S,4S)-3-methoxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid; 2795AH; MFCD13185156; NSC760764; ZINC26186622; AKOS030526660; CS-0790; DB11999; NSC-760764; HY-10534; Vosaroxin hydrochloride, >=98% (HPLC); SW219924-1; D08024; A911613; J-690243; Q18395775; (+)-7-[3(S)-methoxy-4(s)-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(2-thiazolyl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-methoxy-4-(methylamino)-1-pyrrolidinyl)-4-oxo-1-(2-thiazolyl)-, (3S-trans)-; 174726-60-4; 7-[(3S,4S)-3-methoxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; 7-[3-Methoxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; 960398-99-6; trans-7-(3-Methoxy-4-(methylamino)pyrrolidin-1-yl)-4-oxo-1-(thiazol-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760764	.	.	.	.	401.4	C18H19N5O4S	136	662	-0.3	28	2	10	5	"InChI=1S/C18H19N5O4S/c1-19-12-8-22(9-13(12)27-2)14-4-3-10-15(24)11(17(25)26)7-23(16(10)21-14)18-20-5-6-28-18/h3-7,12-13,19H,8-9H2,1-2H3,(H,25,26)/t12-,13-/m0/s1"	CN[C@H]1CN(C[C@@H]1OC)C2=NC3=C(C=C2)C(=O)C(=CN3C4=NC=CS4)C(=O)O	XZAFZXJXZHRNAQ-STQMWFEESA-N
DG64501	"2-N-(5-ethylsulfonyl-2-methoxyphenyl)-4-N-methyl-4-N-(3-methyl-2H-indazol-6-yl)pyrimidine-2,4-diamine"	9955516	GW654652C; CHEMBL475932; SCHEMBL10151177; NSC756300; NSC-756300; NCGC00242175-01; AB01092212-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756300	.	.	.	.	452.5	C22H24N6O3S	122	719	3.7	32	2	8	7	"InChI=1S/C22H24N6O3S/c1-5-32(29,30)16-7-9-20(31-4)19(13-16)24-22-23-11-10-21(25-22)28(3)15-6-8-17-14(2)26-27-18(17)12-15/h6-13H,5H2,1-4H3,(H,26,27)(H,23,24,25)"	CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=CC(=N2)N(C)C3=CC4=NNC(=C4C=C3)C	VTXJRGSOKKDRGH-UHFFFAOYSA-N
DG64502	Pharmakon1600-01502374	9955951	Pitavastatin calcium; NSC-760423; 147511-69-1; Pharmakon1600-01502374; NSC760423	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760423	.	.	.	.	461.5	C25H24CaFNO4+2	90.6	631	.	32	3	6	8	"InChI=1S/C25H24FNO4.Ca/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;+2/b12-11+;/t18-,19-;/m1./s1"	C1CC1C2=NC3=CC=CC=C3C(=C2/C=C/[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F.[Ca+2]	VSQHXQMFUCHGBD-NRFPMOEYSA-N
DG64503	CDDO-Im	9958995	"CDDO-Im; 443104-02-7; MLS002702501; CDDO Imidazolide; NSC727038; (4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-(imidazole-1-carbonyl)-4,4,6a,6b,11,11,14b-heptamethyl-3,13-dioxo-4a,5,6,6a,7,8,9,10,12,12a-decahydropicene-2-carbonitrile; SMR001566062; CDDO-imidazolide; (4aR,6aS,6bR,8aS,12aS,12bR,14bS)-8a-(1H-imidazole-1-carbonyl)-4,4,6a,6b,11,11,14b-heptamethyl-3,13-dioxo-3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-2-carbonitrile; CCDO-Im; CDDO Im; 1-(2-Cyano-3,12,28-trioxooleana-1,9(11)-dien-28-yl)-1H-imidazole; CDDO-Im, 1; CDDO-ImidazolideRTA-403; SCHEMBL2582911; CHEMBL1720855; BDBM80086; cid_9958995; DTXSID60433315; RTA-403; KUC109744N; EX-A2717; ZINC3916235; s9723; TP-235; ACN-054463; NSC-727038; CDDO-Im; RTA 403; TP 235; HY-15725; RTA-403; TP-235; CDDO-Imidazolide; KSC-241-081-1; E76863; (4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-(imidazole-1-carbonyl)-3,13-diketo-4,4,6a,6b,11,11,14b-heptamethyl-4a,5,6,6a,7,8,9,10,12,12a-decahydropicene-2-carbonitrile; (4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-[1-imidazolyl(oxo)methyl]-4,4,6a,6b,11,11,14b-heptamethyl-3,13-dioxo-4a,5,6,6a,7,8,9,10,12,12a-decahydropicene-2-carbonitrile; (4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-imidazol-1-ylcarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-3,13-bis(oxidanylidene)-4a,5,6,6a,7,8,9,10,12,12a-decahydropicene-2-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727038	.	.	.	.	541.7	C34H43N3O3	92.8	1310	6.5	40	0	5	1	"InChI=1S/C34H43N3O3/c1-29(2)10-12-34(28(40)37-15-14-36-20-37)13-11-33(7)26(22(34)18-29)23(38)16-25-31(5)17-21(19-35)27(39)30(3,4)24(31)8-9-32(25,33)6/h14-17,20,22,24,26H,8-13,18H2,1-7H3/t22-,24-,26-,31-,32+,33+,34-/m0/s1"	C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)N6C=CN=C6	ITFBYYCNYVFPKD-FMIDTUQUSA-N
DG64504	N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)-6-(5-(((2-(methylsulfonyl)ethyl)(propyl)amino)methyl)furan-2-yl)quinazolin-4-amine	9960734	CHEMBL212251; GW621823A; SCHEMBL4004635; BDBM50189127; NSC756284; NSC-756284; NCGC00241965-01; AB01092320-01; N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)-6-(5-(((2-(methylsulfonyl)ethyl)(propyl)amino)methyl)furan-2-yl)quinazolin-4-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756284	.	.	.	.	623.1	C32H32ClFN4O4S	106	960	6.5	43	1	9	13	"InChI=1S/C32H32ClFN4O4S/c1-3-13-38(14-15-43(2,39)40)19-26-9-12-30(42-26)23-7-10-29-27(17-23)32(36-21-35-29)37-25-8-11-31(28(33)18-25)41-20-22-5-4-6-24(34)16-22/h4-12,16-18,21H,3,13-15,19-20H2,1-2H3,(H,35,36,37)"	CCCN(CCS(=O)(=O)C)CC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	LOWIJALPIWAMBK-UHFFFAOYSA-N
DG64505	Teglarinad	9961435	"Teglarinad; 766501-75-1; UNII-NUG9P5GWZB; NUG9P5GWZB; [4-[[N'-[6-(4-chlorophenoxy)hexyl]-N-cyanocarbamimidoyl]amino]pyridin-1-ium-1-yl]methyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl carbonate; PyridiniuM, 4-[[[[6-(4-chlorophenoxy)hexyl]iMino](cyanoaMino)Methyl]aMino]-1-(3-oxo-2,4,7,10,13,16-hexaoxaheptadec-1-yl)-; Pyridinium,4-[[[[6-(4-chlorophenoxy)hexyl]imino](cyanoamino)methyl]amino]-1-(3-oxo-2,4,7,10,13,16-hexaoxaheptadec-1-yl)-; Teglarinad [WHO-DD]; Teglarinad ion; Teglarinad cation; CHEMBL1181731; SCHEMBL17074712; ZINC3961863; NSC761189; NSC-761189; 4-((N'-(6-(4-Chlorophenoxy)hexyl))-N''-cyanocarbamimidamido)-1-(3-oxo-2,4,7,10,13,16-hexaoxaheptadecyl)pyridin-1-ium; Q27285065"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761189	.	.	.	.	637.1	C30H43ClN5O8+	146	802	4.2	44	2	10	27	"InChI=1S/C30H42ClN5O8/c1-38-16-17-39-18-19-40-20-21-41-22-23-43-30(37)44-25-36-13-10-27(11-14-36)35-29(34-24-32)33-12-4-2-3-5-15-42-28-8-6-26(31)7-9-28/h6-11,13-14H,2-5,12,15-23,25H2,1H3,(H,33,34)/p+1"	COCCOCCOCCOCCOC(=O)OC[N+]1=CC=C(C=C1)NC(=NCCCCCCOC2=CC=C(C=C2)Cl)NC#N	RXXJCNMVVRGOJB-UHFFFAOYSA-O
DG64506	NSC757384	9962911	"methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;sulfuric acid; Vinblastine sulfate; 1212440-53-3; 143-67-9; SR-05000001738; MFCD08706468; SPECTRUM1500611; HMS2092C18; Pharmakon1600-01500611; CCG-39040; NSC757384; NSC-757384; SR-05000001738-1; SR-05000001738-2; rel-(3aR,3a1R,4R,5S,5aR,10bR)-Methyl 4-acetoxy-3a-ethyl-9-((5S,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-2,4,5,6,7,8,9,10-octahydro-1H-3,7-methano[1]azacycloundecino[5,4-b]indol-9-yl)-5-hydroxy-8-methoxy-6-methyl-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indoliz"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757384	.	.	.	.	909.1	C46H60N4O13S	237	1780	.	64	5	16	10	"InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28 ,37-,38+,39+,42-,43+,44+,45-,46-;/m0./s1"	CC[C@@]1(CC2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O	KDQAABAKXDWYSZ-FCIBFBFCSA-N
DG64507	Chk2 Inhibitor II	9969021	"BML-277; 516480-79-8; Chk2 Inhibitor II; 2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxamide; ML-277 (Chk2 Inhibitor II); BML277; CHEMBL179583; MFCD08276917; C20H14ClN3O2; 2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide; 2-[4-(4-Chlorophenoxy)phenyl]-1h-Benzimidazole-6-Carboxamide; 2-[4-(4-chlorophenoxy)phenyl]-1H-1,3-benzodiazole-6-carboxamide; Chk2 Inhibitor II hydrate; 2-arylbenzimidazole; 4a9r; MLS006010751; GTPL5954; SCHEMBL1723139; BDBM34064; BML 277; DTXSID40433479; Chk2 Inhibitor II (BML-277); HMS3229E12; HMS3745A07; BCP09077; EX-A1077; ZINC3815901; 2-(4-(4-chlorophenoxy)phenyl)-1H-benzo[d]imidazole-6-carboxamide; 3495AH; NSC741899; s8632; AKOS026750319; CCG-206833; CS-1809; NSC-741899; NCGC00165768-01; NCGC00165768-02; NCGC00165768-05; NCGC00165768-08; AS-55907; HY-13946; SMR004701704; FT-0700052; Chk2 Inhibitor II hydrate, >=98% (HPLC); C 3742; Q27075966; 2-(4-(4-chlorophenoxy)phenyl)-1h-benzimidazole -5-carboxamide; 2-[4-(4-Chlorophenoxy)phenyl]-1H-benzoimidazole-5-carboxamide; C-3742; ; ; 2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide; RU5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741899	.	.	.	.	363.8	C20H14ClN3O2	81	489	4.3	26	2	3	4	"InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)"	C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(=O)N)OC4=CC=C(C=C4)Cl	UXGJAOIJSROTTN-UHFFFAOYSA-N
DG64508	Eunicin-cyclobilactone	9976935	Eunicin-cyclobilactone; NSC730664; NSC-730664	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730664	.	.	.	.	378.5	C21H30O6	78.9	653	2	27	0	6	6	"InChI=1S/C21H30O6/c1-12(5-4-6-13(2)22)17-18-14(21(9-10-21)19(24)26-18)11-15(25-17)20(3)8-7-16(23)27-20/h12,14-15,17-18H,4-11H2,1-3H3/t12-,14 ,15+,17+,18-,20-/m1/s1"	C[C@H](CCCC(=O)C)[C@H]1[C@H]2C(C[C@H](O1)[C@]3(CCC(=O)O3)C)C4(CC4)C(=O)O2	WBUQWMFAJPNMJE-DEYCRONHSA-N
DG64509	"11-(3'Aminopropylidene)-5,3-dimethoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline"	9978660	"SCHEMBL14349345; NSC724562; NSC-724562; 11-(3'Aminopropylidene)-5,3-dimethoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline; 2,3-Dimethoxy-6-methyl-8,9-methylenedioxy-11-(3-aminopropylidene)-6,11-dihydro-5H-indeno[1,2-c]isoquinoline-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724562	.	.	.	.	406.4	C23H22N2O5	83.2	765	1.8	30	1	6	4	"InChI=1S/C23H22N2O5/c1-25-22-15-9-20-19(29-11-30-20)7-13(15)12(5-4-6-24)21(22)14-8-17(27-2)18(28-3)10-16(14)23(25)26/h5,7-10H,4,6,11,24H2,1-3H3/b12-5+"	CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)/C(=C/CCN)/C4=CC5=C(C=C42)OCO5	JVLFFLPZENYPFH-LFYBBSHMSA-N
DG64510	MMP-9/MMP-13 Inhibitor I	9983251	MMP-9/MMP-13 Inhibitor I; 204140-01-2; CHEMBL125598; N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenylbenzoyl)piperazine-2-carboxamide; N-Hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-biphenylcarbonyl)piperazine-2-carboxamide; SCHEMBL1272867; BDBM50084726; NSC727680; NSC-727680; J-013296; MMP-9/MMP-13 Inhibitor l CalBioChem Cat. No. 444252; 4-(Biphenyl-4-carbonyl)-1-(4-methoxy-benzenesulfonyl)-piperazine-2-carboxylic acid hydroxyamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727680	.	.	.	.	495.5	C25H25N3O6S	125	825	2.5	35	2	7	6	"InChI=1S/C25H25N3O6S/c1-34-21-11-13-22(14-12-21)35(32,33)28-16-15-27(17-23(28)24(29)26-31)25(30)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-14,23,31H,15-17H2,1H3,(H,26,29)"	COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4	KXZZWRQJKQVMKR-UHFFFAOYSA-N
DG64511	"6-(Bromomethyl)anthracene-1,4-dione"	9995010	"6-(bromomethyl)anthracene-1,4-dione; SCHEMBL13146655; NSC727286; 6-(bromomethyl)-1,4-anthracenedione.; NSC-727286"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727286	.	.	.	.	301.13	C15H9BrO2	34.1	401	3.3	18	0	2	1	"InChI=1S/C15H9BrO2/c16-8-9-1-2-10-6-12-13(7-11(10)5-9)15(18)4-3-14(12)17/h1-7H,8H2"	C1=CC2=CC3=C(C=C2C=C1CBr)C(=O)C=CC3=O	YZTASELZZRJKCU-UHFFFAOYSA-N
DG64512	Lissoclinidine	10005246	Lissoclinidine; CHEMBL2205093; NSC722357; NSC-722357	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722357	.	.	.	.	363.4	C20H17N3O2S	88.6	547	3.4	26	2	5	3	"InChI=1S/C20H17N3O2S/c1-11(24)21-8-7-14-17-16-13(12-4-2-3-5-15(12)23-17)6-9-22-18(16)19-20(14)26-10-25-19/h2-6,9,23H,7-8,10H2,1H3,(H,21,24)"	CC(=O)NCCC1=C2C3=C(C=CN=C3C4=C1SCO4)C5=CC=CC=C5N2	GOVYAIZYFGHCQC-UHFFFAOYSA-N
DG64513	2-N-Methyl-6-oxaellipticinium acetate	10018975	"CHEMBL71131; NSC638788; 2-N-Methyl-6-oxaellipticinium acetate; NSC-638788; Benzofuro[2, 2,5,11-trimethyl-,acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638788	.	.	.	.	321.4	C20H19NO3	57.2	396	.	24	0	3	0	"InChI=1S/C18H16NO.C2H4O2/c1-11-15-10-19(3)9-8-13(15)12(2)18-17(11)14-6-4-5-7-16(14)20-18;1-2(3)4/h4-10H,1-3H3;1H3,(H,3,4)/q+1;/p-1"	CC1=C2C=C[N+](=CC2=C(C3=C1OC4=CC=CC=C43)C)C.CC(=O)[O-]	OATQJNXWSKQCBZ-UHFFFAOYSA-M
DG64514	"3-(3,4,5-Trimethoxyphenyl)-4-(2-naphthyl)-2,5-dihydrofuran-2-one"	10022395	"CHEMBL349479; NSC727209; NSC-727209; 3-(3,5-trimethoxy)-4-(2-naphtyl)-2(5H)-furanone; 3-(3,4,5-Trimethoxyphenyl)-4-(2-naphthyl)-2,5-dihydrofuran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727209	.	.	.	.	376.4	C23H20O5	54	586	4.2	28	0	5	5	"InChI=1S/C23H20O5/c1-25-19-11-17(12-20(26-2)22(19)27-3)21-18(13-28-23(21)24)16-9-8-14-6-4-5-7-15(14)10-16/h4-12H,13H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2=C(COC2=O)C3=CC4=CC=CC=C4C=C3	LDGKCQXGMWOFDM-UHFFFAOYSA-N
DG64515	(5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride	10027011	NSC639624; CHEMBL328503; NSC-639624	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639624	.	.	.	.	454.8	C22H29BrClNO2	29.5	583	.	27	1	3	6	"InChI=1S/C22H28BrNO2.ClH/c1-24(2)13-12-22(18-6-4-5-7-18)11-10-17(21(22)25)14-16-8-9-20(26-3)19(23)15-16;/h6,8-9,14-15H,4-5,7,10-13H2,1-3H3;1H/b17-14+;"	CN(C)CCC1(CC/C(=C\\C2=CC(=C(C=C2)OC)Br)/C1=O)C3=CCCC3.Cl	GRAGNGDPFTWMFH-KLSJZZFUSA-N
DG64516	PDK1 inhibitor AR-12	10027278	"OSU-03012; 742112-33-0; AR-12; OSU 03012; PDK1 inhibitor AR-12; OSU03012; OSU-03012 (AR-12); 2-amino-N-(4-(5-(phenanthren-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)acetamide; 2-amino-N-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide; UNII-EX3O2Q61UV; AR 12; EX3O2Q61UV; CHEMBL1650595; AR-12 (OSU-03012); 2-Amino-N-[4-[5-(2-phenanthrenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl]acetamide; N-{4-[5-(phenanthren-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}glycinamide; MLS006010170; SCHEMBL570472; GTPL8005; C26H19F3N4O; DTXSID50225206; EX-A253; CHEBI:131196; BCPP000134; HMS3654O21; HMS3750G15; BCP01835; ZINC3960083; BDBM50430630; MFCD12912272; NSC756657; s1106; AKOS025117573; BCP9001039; CCG-269335; CS-0151; NSC-756657; SB16557; 1,2-Ethanediamine, N-(4-(5-(2-phenanthrenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-; N-(4-(5-(2-Phenanthryl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)ethane-1,2-diamine; NCGC00346490-01; NCGC00346490-05; AC-30302; AS-19550; HY-10547; SMR004701278; FT-0721533; SW219927-1; Y0267; EC-000.2346; A25444; US8741944, 70; BRD-K90497590-001-02-6; Q15425297; OSU-03012; 742112-33-0; OSU03012; OSU 03012; 2-amino-N-[4-[5-(2-phenanthryl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide; 2-amino-n-{4-[5-(2-phenanthrenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]-phenyl} acetamide; 2-Amino-N-{4-[5-(2-phenanthryl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}acetamide; M4J"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756657	.	.	.	.	460.4	C26H19F3N4O	72.9	711	5.2	34	2	6	4	"InChI=1S/C26H19F3N4O/c27-26(28,29)24-14-23(33(32-24)20-10-8-19(9-11-20)31-25(34)15-30)18-7-12-22-17(13-18)6-5-16-3-1-2-4-21(16)22/h1-14H,15,30H2,(H,31,34)"	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	YULUCECVQOCQFQ-UHFFFAOYSA-N
DG64517	NSC772198	10029385	"3-(9-Fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]indol-7-yl)-4-(imidazo[1,2-a]pyridin-3-yl)-1H-pyrrole-2,5-dione; LY2090314; 603288-22-8; LY-2090314; LY 2090314; Kinome_3681; UNII-822M3GYM67; 3-(9-Fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]indol-7-yl)-4-(imidazo[1,2-a]pyridin-3-yl)-1H-pyrrole-2,5-dione; CHEMBL362558; 822M3GYM67; SCHEMBL633455; GTPL7958; DTXSID90209085; CHEBI:167661; HMS3673E17; HMS3747E07; BCP07855; EX-A2214; ZINC3817327; BDBM50150699; MFCD20526532; NSC772198; NSC801005; s7063; Kinome_3681, LY2090314; AKOS026750195; AKOS032950045; CCG-269790; CS-1633; DB11913; NSC-772198; NSC-801005; SB16558; NCGC00378942-02; NCGC00378942-05; AC-32724; AS-56097; HY-16294; QC-11735; FT-0698670; LY2090314, >=98% (HPLC); A868999; Q27082598; 2-(Imidazo[1,2-a]pyridine-3-yl)-3-[2-(piperidinocarbonyl)-9-fluoro-1,2,3,4-tetrahydropyrrolo[3,2,1-jk][1,4]benzodiazepine-7-yl]maleimide; 3-(9-fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]indol-7-yl)-4-(H-imidazo[1,2-a]pyridin-3-yl)-1H-pyrrole-2,5-dione; 3-[6-Fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione; 3-[9-fluoro-1,2,3,4-tetrahydro-2-(1-piperidinylcarbonyl)pyrrolo[3,2,1-jk][1,4]benzodiazepin-7-yl]-4-imidazo[1,2-a]pyridin-3-yl-1H-pyrrole-2,5-dione; 3-[9-fluoro-2-(piperidin-1-ylcarbonyl)-1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indol-7-yl]-4-(imidazo[1,2-a]pyridin-3-yl)-1H-pyrrole-2,5-dione; 3-[9-Fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]indol-7-yl]-4-imidazo[1,2-a]pyridin-3-yl-pyrrole-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772198	.	.	.	.	512.5	C28H25FN6O3	92	1030	2.5	38	1	5	2	"InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)"	C1CCN(CC1)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)F)C5=C(C(=O)NC5=O)C6=CN=C7N6C=CC=C7	HRJWTAWVFDCTGO-UHFFFAOYSA-N
DG64518	NSC728035	10032352	"1N-{2-[7-methoxy-5-oxo-(11aS)-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yloxy]ethyl}-2-[8-benzyloxy-7-methoxy-5-oxo-(11aS)-2,3,5,11a-tetrahydro-1H-benzo[e]pyrro lo[1,2-a][1,4]diazepin-2-yliden]acetamide.; NSC728035; NSC-728035; 1N-{2-[7-methoxy-5-oxo-(11aS)-2,5,11a-tetrahydro-1H-benzo[ e]pyrrolo[1,2-a][1,4]diazepin-8-yloxy]ethyl}-2-[8-benzyloxy- 7-methoxy-5-oxo-(11aS)-2,3,5,11a-tetrahydro-1H-benzo[e]pyrro lo[1,2-a][1,4]diazepin-2-yliden]acetamide."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728035	.	.	.	.	663.7	C37H37N5O7	131	1300	2.2	49	1	9	10	"InChI=1S/C37H37N5O7/c1-46-31-15-27-29(39-19-25-9-6-11-41(25)36(27)44)17-33(31)48-12-10-38-35(43)14-24-13-26-20-40-30-18-34(49-22-23-7-4-3-5-8-23)32(47-2)16-28(30)37(45)42(26)21-24/h3-5,7-8,14-20,25-26H,6,9-13,21-22H2,1-2H3,(H,38,43)/b24-14+/t25-,26-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OCCNC(=O)/C=C/4\\C[C@H]5C=NC6=CC(=C(C=C6C(=O)N5C4)OC)OCC7=CC=CC=C7	FAXFZRWLMDMLIN-SPONOFJTSA-N
DG64519	NSC733396	10050740	"1,3-Dioxolo(4,5-g)isoquinoline, 9-bromo-5-((1S)-1,3-dihydro-4,5-dimethoxy-1-isobenzofuranyl)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-, (5R)-; UNII-74K735LP9T; EM-012; 74K735LP9T; SCHEMBL682197; CHEMBL3597110; NSC733396; NSC-733396; 1,3-Dioxolo(4,5-g)isoquinoline, 9-bromo-5-((1S)-1,3-dihydro-4,5-dimethoxy-1-isobenzofuranyl)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-, (5R)-; 565418-40-8; Q27266283; 1-alpha-methyl-8-methoxy-5-bromo-6,-methylenedioxy-1-(6,7, -dimethoxy-3-benzofuran)-1,2,3,4-tetrahydroisoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733396	.	.	.	.	478.3	C22H24BrNO6	58.6	612	3.2	30	0	7	4	"InChI=1S/C22H24BrNO6/c1-24-8-7-12-15(20(27-4)22-21(16(12)23)29-10-30-22)17(24)19-11-5-6-14(25-2)18(26-3)13(11)9-28-19/h5-6,17,19H,7-10H2,1-4H3/t17-,19+/m1/s1"	CN1CCC2=C([C@@H]1[C@@H]3C4=C(CO3)C(=C(C=C4)OC)OC)C(=C5C(=C2Br)OCO5)OC	VVSDXCUYQGHQTE-MJGOQNOKSA-N
DG64520	2-[[[2-(1-Hydroxybutan-2-ylamino)-9-propan-2-yl-6-purinyl]amino]methyl]phenol	10067756	"500735-47-7; 2-[[[2-(1-hydroxybutan-2-ylamino)-9-propan-2-yl-6-purinyl]amino]methyl]phenol; 2-[[[2-(1-hydroxybutan-2-ylamino)-9-propan-2-ylpurin-6-yl]amino]methyl]phenol; OlomoucineII; IN1181; SCHEMBL3514137; CHEBI:95098; DTXSID60435137; NSC736738; NSC-736738; Olomoucine II, >=97% (HPLC), powder; Olomoucine II - CAS 500735-47-7; Q27166865; olomoucine II, 6-[(2-hydroxybenzyl)amino]-2-[1-(hydroxymethyl)propylamino]- 9-isopropylpurine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736738	.	.	.	.	370.4	C19H26N6O2	108	454	2.8	27	4	7	8	"InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)"	CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3O	NDUVSANREQEDRE-UHFFFAOYSA-N
DG64521	"6-(3-Azidopropyl)-5,9-methylenedioxy-3-nitro-5,1 1-dioxo-11H-indeno[1,2-c]isoquinoline"	10070686	"CHEMBL331529; NSC728979; NSC-728979; 6-(3-Azidopropyl)-5,9-methylenedioxy-3-nitro-5,1 1-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728979	.	.	.	.	419.3	C20H13N5O6	116	893	3.3	31	0	8	4	"InChI=1S/C20H13N5O6/c21-23-22-4-1-5-24-18-12-7-15-16(31-9-30-15)8-13(12)19(26)17(18)11-3-2-10(25(28)29)6-14(11)20(24)27/h2-3,6-8H,1,4-5,9H2"	C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCN=[N+]=[N-]	VFQHMKRQVRHHLQ-UHFFFAOYSA-N
DG64522	Masitinib	10074640	"Masitinib; 790299-79-5; AB1010; Masatinib; Masitinib (AB1010); AB-1010; Masivet; AB 1010; UNII-M59NC4E26P; Masitinib [INN]; Masitinib mesilate; M59NC4E26P; 4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-thiazolyl]amino]phenyl]benzamide; 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide; N-(4-Methyl-3-((4-(pyridin-3-yl)thiazol-2-yl)amino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide; CHEMBL1908391; CHEBI:63450; Masitinib (INN); MFCD09954132; 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)benzamide; N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide; 4-((4-Methylpiperazin-1-yl)methyl)-N-(4-methyl-3-((4-(pyridin-3-yl)-1,3-thiazol-2-yl)amino)phenyl)benzamide; C28H30N6OS; masican; Masiviera; N-(4-methyl-3-(4-(pyridin-3-yl)thiazol-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide; Kinavet CA-1; masitinib methanesulfonate; Mastinib; G65; MLS006010167; Masican (proposed trade name); SCHEMBL717239; GTPL5656; EX-A080; SYN1053; DTXSID001000207; HMS3244J04; HMS3244J08; HMS3244J12; HMS3295G03; HMS3654I13; HMS3884E03; AMY14908; BCP01820; BDBM50355495; NSC755400; NSC800789; s1064; ZINC34177219; AKOS005146325; AC-1908; BCP9000897; CCG-269680; CS-0134; DB11526; GS-6164; NSC-755400; NSC-800789; SB14844; NCGC00241103-01; NCGC00241103-03; NCGC00241103-04; NCGC00241103-06; NCGC00241103-09; AC-30632; HY-10209; N-[4-Methyl-3-[[4-(3-Pyridyl)-2-thiazolyl]amino]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide; SMR004701275; SY259010; FT-0652399; SW219247-1; EC-000.2316; D10229; AB01274735-01; AB01274735_02; 299M795; A839556; Q-201339; Q1907109; BRD-K71035033-001-01-4; 4-(4-Methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-thiazol-2-ylamino) -phenyl]-benzamide; 4-(4-Methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-thiazol-2-ylamino)-phenyl]-benzamide; 4-[(4-Methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2(3H)-ylidene]amino}phenyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755400	.	.	.	.	498.6	C28H30N6OS	102	696	4.3	36	2	7	7	"InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)"	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5	WJEOLQLKVOPQFV-UHFFFAOYSA-N
DG64523	Ethylenediaminetetraacetic acid bis-(5-amino salicylic acid methyl ester)	10077122	"NSC742629; NSC-742629; Ethylenediaminetetraacetic acid bis-(5-amino salicylic acid methyl ester); 3,6-Bis[2-[[4-hydroxy-3-(methoxycarbonyl)phenyl]amino]-2-oxoethyl]-3,6-diazaoctanedioic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742629	.	.	.	.	590.5	C26H30N4O12	232	903	-3.2	42	6	14	17	"InChI=1S/C26H30N4O12/c1-41-25(39)17-9-15(3-5-19(17)31)27-21(33)11-29(13-23(35)36)7-8-30(14-24(37)38)12-22(34)28-16-4-6-20(32)18(10-16)26(40)42-2/h3-6,9-10,31-32H,7-8,11-14H2,1-2H3,(H,27,33)(H,28,34)(H,35,36)(H,37,38)"	COC(=O)C1=C(C=CC(=C1)NC(=O)CN(CCN(CC(=O)NC2=CC(=C(C=C2)O)C(=O)OC)CC(=O)O)CC(=O)O)O	RZYSTUVAIIZHPV-UHFFFAOYSA-N
DG64524	Distomadine A	10087738	Distomadine A; NSC721294; NSC-721294	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721294	.	.	.	.	326.31	C16H14N4O4	133	601	0	24	3	6	3	"InChI=1S/C16H14N4O4/c17-16(18)20-6-4-10-13-12-8(21)2-1-7-11(12)9(3-5-19-7)23-14(13)15(22)24-10/h1-3,5,10,21H,4,6H2,(H4,17,18,20)"	C1=CC2=NC=CC3=C2C(=C1O)C4=C(O3)C(=O)OC4CCN=C(N)N	YTJQNXMCZWEMBC-UHFFFAOYSA-N
DG64525	Endoxifen	10090750	"Endoxifen; 112093-28-4; Z-Endoxifen; Endoxifen Z-Isomer; 4-Hydroxy-N-desmethyltamoxifen; N-Desmethyl-4-hydroxytamoxifen; (Z)-Endoxifen; UNII-46AF8680RC; 110025-28-0; (Z)-4-Hydroxy-N-desmethyl Tamoxifen (mixture of isomers); 4OHNDtam; 4-Hydroxy-N-desmethyl-tamoxifen; CHEBI:80555; 46AF8680RC; NSC-749798; 4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol; C25H27NO2; 4-(1-(4-(2-(methylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenol; N-Desmethyl-4-hydroxy Tamoxifen (approx. 1:1 E/Z Mixture); 4-hydroxy-N-desmethyltamoxifen, (Z)-isomer; MFCD09840374; 4-hydroxy-N-desmethyl tamoxifen; (Z)-4-(1-(4-(2-(methylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenol; Endoxifen(E/Z=1:1); CHEMBL1093458; SCHEMBL10107920; GTPL10203; DTXSID80149880; EX-A645; BCP15866; EX-A1970; (Z)-4-Hydroxy-N-desmethyl Tamoxifen (contains up to 10% E isomer); BDBM50435003; HY-18719E; NSC746494; NSC749798; NSC777380; ZINC22056306; 4-[(1Z)-1-{4-[2-(methylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol; ACN-053042; NSC 749798; NSC-746494; NSC-777380; NCGC00386714-01; BE172975; BS-42369; B7481; CS-0028594; X5886; (Z)-4-Hydroxy-N-Desmethyl Tamoxifen (Endoxifen); A894656; N-Desmethyl-4-hydroxytamoxifen, mixture of isomers; 4-Hydroxy-N-Desmethyl Tamoxifen ((E/Z)-Endoxifen); J-002363; W-200834; Q27149598; 4-[1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol; (E/Z)-4-(1-(4-(2-(methylamino)ethoxy)phenyl)-2-phenylbut-1-enyl)phenol; (Z)-4-(1-(4-(2-(methylamino)ethoxy)phenyl)-2-phenylbut-1-enyl)phenol; 4-[(~{Z})-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol; N-Desmethyl-4-hydroxytamoxifen, mixture of isomers, analytical standard; (E/Z)-4-[1-[4-[2-(Methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-phenol; N-Methyl-2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenyl-1-butenyl]phenoxy]ethanamine; Phenol, 4-(1-(4-(2-(methylamino)ethoxy]phenyl)-2-phenyl-1-butenyl)-, (Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749798	.	.	.	.	373.5	C25H27NO2	41.5	467	6.3	28	2	3	8	"InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-"	CC/C(=C(\\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3	MHJBZVSGOZTKRH-IZHYLOQSSA-N
DG64526	"cis-6-(3-Bromopropyl)-5,12,13-tetrahydro-2,3-dimethoxy-9,1 0-methylenedioxy-3-nitro-5,11-dioxo-11H-indeno{1,2-c]isoquin oline"	10095710	"CHEMBL331106; SCHEMBL13924035; NSC727625; NSC-727625; cis-6-(3-Bromopropyl)-5,12,13-tetrahydro-2,3-dimethoxy-9,1 0-methylenedioxy-3-nitro-5,11-dioxo-11H-indeno{1,2-c]isoquin oline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727625	.	.	.	.	459.2	C20H15BrN2O6	102	714	2.9	29	0	6	3	"InChI=1S/C20H15BrN2O6/c21-4-1-5-22-18-12-7-15-16(29-9-28-15)8-13(12)19(24)17(18)11-3-2-10(23(26)27)6-14(11)20(22)25/h2-3,6-8,17-18H,1,4-5,9H2/t17-,18-/m1/s1"	C1OC2=C(O1)C=C3C(=C2)[C@@H]4[C@H](C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCBr	CSQJIIYGYVBEJH-QZTJIDSGSA-N
DG64527	Aurantimycin A	10102093	"AURANTIMYCIN A; Aurantimycin; 162478-50-4; (2R)-N-[(6S,9R,16S,17S,20R,23S)-7,21-dihydroxy-6-(methoxymethyl)-20-methyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl]-2-hydroxy-2-[(2S,5S,6S)-2-hydroxy-6-methyl-5-(2-methylpropyl)oxan-2-yl]propanamide; CHEMBL1241097; NSC777195; NSC-777195"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777195	.	.	.	.	857	C38H64N8O14	289	1600	0.1	60	8	16	8	"InChI=1S/C38H64N8O14/c1-20(2)17-24-13-14-38(55,60-23(24)6)37(7,54)36(53)42-29-30(21(3)4)59-35(52)22(5)45(56)32(49)25-11-9-15-40-43(25)28(47)18-39-31(48)27(19-58-8)46(57)33(50)26-12-10-16-41-44(26)34(29)51/h20-27,29-30,40-41,54-57H,9-19H2,1-8H3,(H,39,48)(H,42,53)/t22-,23+,24+,25+,26-,27+,29+,30+,37+,38+/m1/s1"	C[C@H]1[C@@H](CC[C@](O1)([C@](C)(C(=O)N[C@H]2[C@@H](OC(=O)[C@H](N(C(=O)[C@@H]3CCCNN3C(=O)CNC(=O)[C@@H](N(C(=O)[C@H]4CCCNN4C2=O)O)COC)O)C)C(C)C)O)O)CC(C)C	JSVPJXYQXDNLRD-NSCUIBACSA-N
DG64528	"5-Aziridinyl-3-hydroxymethyl-1-methylindole-4,7-dione"	10105331	"CHEMBL74816; NSC732423; NSC-732423; 5-aziridinyl-3-hydroxymethyl-1-methylindole-4,7-dione; 1-Methyl-3-(hydroxymethyl)-5-(1-aziridinyl)-1H-indole-4,7-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732423	.	.	.	.	232.23	C12H12N2O3	62.3	414	-0.3	17	1	4	2	"InChI=1S/C12H12N2O3/c1-13-5-7(6-15)10-11(13)9(16)4-8(12(10)17)14-2-3-14/h4-5,15H,2-3,6H2,1H3"	CN1C=C(C2=C1C(=O)C=C(C2=O)N3CC3)CO	USDGEBQRMOVMBD-UHFFFAOYSA-N
DG64529	"3-(4-{4-Aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea"	10113568	"TIE-2/VEGFR-2 kinase-IN-2; 501693-48-7; GW770249X; 3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea; 4-Amino-5-[4-[[[[2-fluoro-5-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenyl]furo[2,3-d]pyrimidine; GW770249A; 1-(4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea; 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea; CHEMBL247228; SCHEMBL5652411; BDBM15003; GTPL10133; NSC756335; NSC756336; NSC-756335; NSC-756336; SB19208; compound 27 [PMID: 24900635]; NCGC00241973-01; NCGC00241973-02; HY-12572; CS-0012042; 4-amino-5-diarylurea-furo[2,3-d]pyrimidine 8a; AB01092336-01; AB01092336-02"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756335	.	.	.	.	431.3	C20H13F4N5O2	106	631	3.8	31	3	9	3	"InChI=1S/C20H13F4N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)"	C1=CC(=CC=C1C2=COC3=NC=NC(=C23)N)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F	KNDPXYAMINMLED-UHFFFAOYSA-N
DG64530	Pazopanib	10113978	"Pazopanib; 444731-52-6; GW786034; UNII-7RN5DR86CK; Pazopanib (GW-786034); GW 786034; 5-((4-((2,3-dimethyl-2H-indazol-6-yl)(methyl)amino)pyrimidin-2-yl)amino)-2-methylbenzenesulfonamide; 5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)-2-methylbenzene-1-sulfonamide; 7RN5DR86CK; GW 78603; CHEBI:71219; MFCD11616589; NSC-752782; NCGC00188865-01; 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide; DSSTox_CID_28659; DSSTox_RID_82929; DSSTox_GSID_48733; 5-(4-((2,3-dimethyl-2H-indazol-6-yl)(methyl)amino)pyrimidin-2-ylamino)-2-methylbenzenesulfonamide; 5-[[4-[(2,3-dimethyl-2h-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methylbenzenesulfonamide; 5-[4-[(2,3-Dimethyl-2H-indazol-6-yl)-methyl-amino]-pyrimidin-2-ylamino]-2-methyl-benzenesulfonamide; GW-786034; C21H23N7O2S; 5-({4-[(2,3-Dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)-2-methylbenzenesulfonamide; CAS-444731-52-6; 790713-33-6; Pazopanib [INN:BAN]; pazopanibum; HSDB 8210; Pazopanib- Bio-X; Benzenesulfonamide, 5-((4-((2,3-dimethyl-2H-indazol-6-yl)methylamino)-2-pyrimidinyl)amino)-2-methyl-; Benzenesulfonamide, 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-; GW 786034B; indazolylpyrimidine 13; Pazopanib (free base); Kinome_3790; GW780604; GW-780604; Pazopanib-d6 (deuterated); 5-[[4-[(2,3-dimethylindazol-6-yl)-methyl-amino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide; SCHEMBL588608; CHEMBL477772; GTPL5698; JMC514632 Compound 13; DTXSID8048733; BDBM26474; QCR-110; SYN1058; cid_10113978; BCPP000129; HMS3244C21; HMS3244C22; HMS3244D21; HMS3656L14; HMS3745G05; AOB87179; BCP01839; EX-A1241; Tox21_113174; NSC752782; NSC800839; s3012; ZINC11617039; AKOS005145819; Tox21_113174_1; AC-8522; BCP9001053; CCG-265010; CS-0269; DB06589; MCULE-2193898201; NSC 752782; NSC-800839; SB17290; NCGC00188865-02; NCGC00188865-03; NCGC00188865-10; AS-11066; BD164238; HY-10208; AM20090659; FT-0659928; FT-0684794; SW218082-3; A19406; P-6706; AB01273967-01; AB01273967-02; AB01273967_05; AB01273967_06; A839572; AR-270/43507999; Q-101400; Q7157043; BRD-K74514084-003-02-7; Z1541638525; 5-(3-((2,3-dimethyl-2H-indazol-6-yl)(methyl)amino)phenylamino)-2-methylbenzenesulfonamide; 5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino]-2-pyrimidinyl}amino)-2-methylbenzenesulfonamide; 5-({4-[(2,3-dimethyl-2h-indazol-6-yl)methylamino]pyrimidin-2-yl}amino)-2-methylbenzenesulfonamide; 5-[[4-[(2,3-Dimethyl-2H-indazol-6-yl)(methyl)amino]-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide; 5-[[4-[(2,3-dimethyl-6-indazolyl)-methylamino]-2-pyrimidinyl]amino]-2-methylbenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752782	.	.	.	.	437.5	C21H23N7O2S	127	717	3.1	31	2	8	5	"InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)"	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CUIHSIWYWATEQL-UHFFFAOYSA-N
DG64531	Sepantronium	10126189	"Sepantronium; UNII-UZ77T1VFBM; UZ77T1VFBM; 753440-91-4; 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione; 1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-3-(2-methoxyethyl)-2-methyl-4,9-dioxo-1-(2-pyrazinylmethyl)-; Sepantronium [USAN]; Sepantronium ion; Sepantronium cation; SCHEMBL2814857; CHEMBL2110734; CHEBI:94552; DTXSID70226316; BDBM420311; ZINC1908550; NSC755387; NSC764936; NSC-755387; NSC-764936; NCGC00242514-01; 1H-Naphth(2,3-d)imidazolium, 4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-; FT-0753417; BRD-K24681473-004-01-4; BRD-K76703230-001-01-3; Q27166390; 1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(pyrazin-2-ylmethyl)-4,9-dihydro-1h-naphtho[2,3-d]imidazol-3-ium; 4,9-Dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-1H-naphtho[2,3-d]imidazole-3-ium; GXU"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755387	.	.	.	.	363.4	C20H19N4O3+	78	571	1.4	27	0	5	5	"InChI=1S/C20H19N4O3/c1-13-23(9-10-27-2)17-18(24(13)12-14-11-21-7-8-22-14)20(26)16-6-4-3-5-15(16)19(17)25/h3-8,11H,9-10,12H2,1-2H3/q+1"	CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4	OTSOOHRUMBRSHZ-UHFFFAOYSA-N
DG64533	"(S,Z)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-N-(2-hydroxy-3-morpholinopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide"	10138259	"452105-23-6; SU14813 double bond Z; UNII-ZZ6VH5MZ17; SU-14813; SU14813; SU 14813; (S,Z)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-N-(2-hydroxy-3-morpholinopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide; ZZ6VH5MZ17; SU014813; 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide; 627908-92-3; SU-014813; 1H-Pyrrole-3-carboxamide, 5-((5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-N-((2S)-2-hydroxy-3-(4-morpholinyl)propyl)-2,4-dimethyl-; 5-((5-Fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide; SCHEMBL902507; CHEMBL1721885; BDBM31095; cid_10138259; CTA10523; 4072AH; HY-10501B; NSC800936; ZINC18825344; CS-1159; NSC-800936; QC-1159; NCGC00379021-01; 1H-Pyrrole-3-carboxamide, 5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-N-(2-hydroxy-3-(4-morpholinyl)propyl)-2,4-dimethyl-; 5-((Z)-(5-Fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide; A924643; SU14813 double bond Z; 452105-23-6; SU 14813; (S)-5-((5-Fluoro-2-oxoindolin-3-ylidene)methyl)-N-(2-hydroxy-3-morpholinopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide; 1H-Pyrrole-3-carboxamide,5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-(4-morpholinyl)propyl]-2,4-diMethyl-; 5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(2S)-3-morpholin-4-yl-2-oxidanyl-propyl]-1H-pyrrole-3-carboxamide; 5-[(Z)-(5-fluoro-2-keto-indolin-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholino-propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide; 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-(4-morpholinyl)propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800936	.	.	.	.	442.5	C23H27FN4O4	107	729	0.9	32	4	6	6	"InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1"	CC1=C(NC(=C1C(=O)NC[C@@H](CN2CCOCC2)O)C)/C=C\\3/C4=C(C=CC(=C4)F)NC3=O	CTNPALGJUAXMMC-PMFHANACSA-N
DG64534	9-Chlorocamptothecin	10156768	"CHEMBL2115019; 9-chlorocamptothecin; SCHEMBL1006809; 10-chloro-20(S)-camptothecin; ANTINEOPLASTIC-652525; ZINC5140055; BDBM50406995; NSC652525; NSC-652525; (4S)-4alpha-Ethyl-4-hydroxy-9-chloro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652525	.	.	.	.	382.8	C20H15ClN2O4	79.7	778	1.6	27	1	5	1	"InChI=1S/C20H15ClN2O4/c1-2-20(26)14-7-16-17-11(5-10-6-12(21)3-4-15(10)22-17)8-23(16)18(24)13(14)9-27-19(20)25/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)Cl)O	MXIBGRFZFZXAKG-FQEVSTJZSA-N
DG64535	"methyl N-[6-(4-{[(3-ethylphenyl)carbamoyl]amino}phenoxy)-1H-1,3-benzodiazol-2-yl]carbamate"	10160775	"GW673715X; benzimidazole-urea, 19; CHEMBL243907; SCHEMBL5342162; BDBM17791; HMS3303P04; HMS3305I17; NSC756303; NSC-756303; NCGC00241951-01; AB01092227-01; methyl N-[6-(4-{[(3-ethylphenyl)carbamoyl]amino}phenoxy)-1H-1,3-benzodiazol-2-yl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756303	.	.	.	.	445.5	C24H23N5O4	117	657	4.4	33	4	5	7	"InChI=1S/C24H23N5O4/c1-3-15-5-4-6-17(13-15)26-23(30)25-16-7-9-18(10-8-16)33-19-11-12-20-21(14-19)28-22(27-20)29-24(31)32-2/h4-14H,3H2,1-2H3,(H2,25,26,30)(H2,27,28,29,31)"	CCC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)OC3=CC4=C(C=C3)N=C(N4)NC(=O)OC	IDBPJJQGJZOVMW-UHFFFAOYSA-N
DG64536	"methyl N-[6-(4-{[(3-bromophenyl)carbamoyl]amino}phenoxy)-1H-1,3-benzodiazol-2-yl]carbamate"	10163749	"benzimidazole-urea, 20; CHEMBL243908; SCHEMBL5351011; BDBM17792; NSC756318; NSC-756318; NCGC00242027-01; AB01092231-01; methyl N-[6-(4-{[(3-bromophenyl)carbamoyl]amino}phenoxy)-1H-1,3-benzodiazol-2-yl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756318	.	.	.	.	496.3	C22H18BrN5O4	117	648	4.3	32	4	5	6	"InChI=1S/C22H18BrN5O4/c1-31-22(30)28-20-26-18-10-9-17(12-19(18)27-20)32-16-7-5-14(6-8-16)24-21(29)25-15-4-2-3-13(23)11-15/h2-12H,1H3,(H2,24,25,29)(H2,26,27,28,30)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)Br	MZWXPLVBKPHKNC-UHFFFAOYSA-N
DG64537	"3-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide"	10180652	"GW771127A; SCHEMBL589379; CHEMBL514838; 3-aminobenzene sulfonamide, 12c; BDBM26469; NSC756337; NSC-756337; NCGC00242044-01; AB01092214-01; 3-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756337	.	.	.	.	423.5	C20H21N7O2S	127	687	2.7	30	2	8	5	"InChI=1S/C20H21N7O2S/c1-13-17-8-7-15(12-18(17)25-27(13)3)26(2)19-9-10-22-20(24-19)23-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,23,24)"	CC1=C2C=CC(=CC2=NN1C)N(C)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N	RLIRKBLVQDRMIA-UHFFFAOYSA-N
DG64538	"Benzimidazole-urea, 34"	10186269	"benzimidazole-urea, 34; GW607049C; CHEMBL243912; SCHEMBL5341168; SCHEMBL14444793; BDBM17807; NSC756276; NSC-756276; NCGC00242230-01; AB01092225-01; methyl N-(6-{[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]sulfanyl}-1H-1,3-benzodiazol-2-yl)carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756276	.	.	.	.	519.5	C23H17F4N5O3S	133	771	5	36	4	9	6	"InChI=1S/C23H17F4N5O3S/c1-35-22(34)32-20-29-17-9-7-15(11-19(17)30-20)36-14-5-3-13(4-6-14)28-21(33)31-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F	KBJVFZCXZGSCFO-UHFFFAOYSA-N
DG64539	Atorvastatin Dehydro Lactone	10186417	"Atorvastatin Dehydro Lactone; 442851-50-5; 5-(4-fluorophenyl)-1-[2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide; 3-Dehydroxy 2,3-Dehydro Atorvastatin Lactone; SCHEMBL4980905; ATORVASTATIN IMPURITY 10; NSC800382; ZINC67664918; NSC-800382; 1-[2-[(2S)-3,6-Dihydro-6-oxo-2H-pyran-2-yl]ethyl]-5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1H-pyrrole-3-carboxamide; 1-[2-[(2S)-3,6-Dihydro-6-oxo-2H-pyran-2-yl]ethyl]-5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1H-pyrrole-3-carboxamide (Atorvastatin eliminated Lactone); 5-(4-fluorophenyl)-2-isopropyl-1-[2-((S)-6-oxo-3,6-dihydro-2H-pyran-2-y1)-ethyl]-4-phenyl-1H-pyrrole-3-carboxylic acid phenylamide; 5-(4-fluorophenyl)-2-isopropyl-1-[2-((S)-6-oxo-3,6-dihydro-2H-pyran-2-yl)-ethyl]-4-phenyl-1H-pyrrole-3-carboxylic acid phenylamide; 5-(4-fluorophenyl)-2-isopropyl-1-[2-((S)-6-oxo-3,6-dihydro-2H-pyran-2-yl)-ethyl]4-phenyl-1H-pyrrole-3-carboxylic acid phenylamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800382	.	.	.	.	522.6	C33H31FN2O3	60.3	842	6.9	39	1	4	8	"InChI=1S/C33H31FN2O3/c1-22(2)31-30(33(38)35-26-12-7-4-8-13-26)29(23-10-5-3-6-11-23)32(24-16-18-25(34)19-17-24)36(31)21-20-27-14-9-15-28(37)39-27/h3-13,15-19,22,27H,14,20-21H2,1-2H3,(H,35,38)/t27-/m0/s1"	CC(C)C1=C(C(=C(N1CC[C@@H]2CC=CC(=O)O2)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5	GYIXAUAZYJKKST-MHZLTWQESA-N
DG64540	BAY-61-3606 free base	10200390	"BAY 61-3606; 732983-37-8; BAY-61-3606 free base; 2-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide; Syk inhibitor IV; UNII-61G8S0H9KX; 61G8S0H9KX; CHEMBL1190711; 2-[[7-(3,4-Dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-3-pyridinecarboxamide; BAY-613606; BAY61-3606; CHEMBL1242100; Kinome_3125; SCHEMBL373774; BAY 61-3606 free base; GTPL9693; CHEBI:91426; DTXSID101017352; HMS3295M09; BCP08946; EX-A1437; ZINC3817793; BDBM50325991; NSC766992; ACN-053214; BAY-61-360; CCG-102604; CS-0235; NSC-766992; 3-Pyridinecarboxamide, 2-((7-(3,4-dimethoxyphenyl)imidazo(1,2-C)pyrimidin-5-yl)amino)-; NCGC00346945-01; NCGC00346945-06; AC-29888; HY-76474; J-507625; BRD-K53281329-001-01-9; Q27163275; 2-((7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl)amino)nicotinamide; 2-(7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-ylamino)nicotinamide hydrochloride; 2-[[7-(3,4-Dimethoxyphenyl)imidazo[1,2-c]pyrimidine-5-yl]amino]-3-pyridinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766992	.	.	.	.	390.4	C20H18N6O3	117	566	3.3	29	2	7	6	"InChI=1S/C20H18N6O3/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19/h3-11H,1-2H3,(H2,21,27)(H,23,24,25)"	COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC	JWQOJVOKBAAAAR-UHFFFAOYSA-N
DG64541	methyl N-(5-(4-((3-chlorophenyl)aminocarbonylamino)phenoxy)-1H-benzimidazol-2-yl)carbamate	10204357	"benzimidazole-urea, 21; CHEMBL396283; SCHEMBL5342304; BDBM17793; NSC756275; NSC-756275; NCGC00241918-01; AB01092224-01; methyl N-(5-(4-((3-chlorophenyl)aminocarbonylamino)phenoxy)-1H-benzimidazol-2-yl)carbamate; Methyl N-(5-(4-((3-chlorophenyl) aminocarbonylamino) phenoxy)-1H-benzimidazol-2-yl)carbamate; methyl N-[6-(4-{[(3-chlorophenyl)carbamoyl]amino}phenoxy)-1H-1,3-benzodiazol-2-yl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756275	.	.	.	.	451.9	C22H18ClN5O4	117	648	4.2	32	4	5	6	"InChI=1S/C22H18ClN5O4/c1-31-22(30)28-20-26-18-10-9-17(12-19(18)27-20)32-16-7-5-14(6-8-16)24-21(29)25-15-4-2-3-13(23)11-15/h2-12H,1H3,(H2,24,25,29)(H2,26,27,28,30)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)Cl	XOMNBLZPGBTSHU-UHFFFAOYSA-N
DG64542	"Benzimidazole-urea, 49"	10230568	"benzimidazole-urea, 49; CHEMBL244297; SCHEMBL5344631; BDBM17821; NSC756312; NSC-756312; NCGC00242234-01; AB01092229-01; B6E; N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1H-1,3-benzodiazol-2-yl}furan-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756312	.	.	.	.	539.4	C26H17F4N5O4	121	859	5.1	39	4	9	6	"InChI=1S/C26H17F4N5O4/c27-18-9-3-14(26(28,29)30)12-20(18)34-25(37)31-15-4-6-16(7-5-15)39-17-8-10-19-21(13-17)33-24(32-19)35-23(36)22-2-1-11-38-22/h1-13H,(H2,31,34,37)(H2,32,33,35,36)"	C1=COC(=C1)C(=O)NC2=NC3=C(N2)C=C(C=C3)OC4=CC=C(C=C4)NC(=O)NC5=C(C=CC(=C5)C(F)(F)F)F	ODKIFGJQIHHLAP-UHFFFAOYSA-N
DG64543	[3-Amino-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate	10236235	"Aredia; PAMIDRONATE DISODIUM; 57248-88-1; Sodium;(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid; [3-amino-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate; NSC720699; NSC722600; NSC-720699; NSC-722600; 3-amino-1-hydroxy-propane-1,1-bisphosphonate (sodium salt)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722600	.	.	.	.	258.06	C3H11NNaO7P2+	161	243	.	14	6	8	4	"InChI=1S/C3H11NO7P2.Na/c4-2-1-3(5,12(6,7)8)13(9,10)11;/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11);/q;+1"	C(CN)C(O)(P(=O)(O)O)P(=O)(O)O.[Na+]	AFICAMMULQSNNG-UHFFFAOYSA-N
DG64544	"1,4-Bis(5-acetyl-4,7-dimethoxybenzofuran-6-yloxy)butane"	10239474	"CHEMBL78267; SCHEMBL4482527; BDBM50145052; NSC743185; NSC-743185; 1,7-dimethoxybenzofuran-6-yloxy)butane; 1,4-bis(5-acetyl-4,7-dimethoxybenzofuran-6-yloxy)butane; 1-{6-[4-(5-Acetyl-4,7-dimethoxy-benzofuran-6-yloxy)-butoxy]-4,7-dimethoxy-benzofuran-5-yl}-ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743185	.	.	.	.	526.5	C28H30O10	116	728	4.3	38	0	10	13	"InChI=1S/C28H30O10/c1-15(29)19-21(31-3)17-9-13-37-23(17)27(33-5)25(19)35-11-7-8-12-36-26-20(16(2)30)22(32-4)18-10-14-38-24(18)28(26)34-6/h9-10,13-14H,7-8,11-12H2,1-6H3"	CC(=O)C1=C(C2=C(C(=C1OCCCCOC3=C(C4=C(C=CO4)C(=C3C(=O)C)OC)OC)OC)OC=C2)OC	COMZVXDOQNNTIT-UHFFFAOYSA-N
DG64545	4-Fluoro-4'-(trifluoromethyl)benzophenone guanylhydrazone hydrochloride	10248002	"WR 09792; MLS002701985; 19982-87-7; CHEMBL1966938; NSC127923; NSC-127923; 4-Fluoro-4'-(trifluoromethyl)benzophenone guanylhydrazone hydrochloride; Guanidine,.alpha.,.alpha.-trifluoro-p-tolyl)benzylidene]amino]-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127923	.	.	.	.	360.74	C15H13ClF4N4	76.8	441	.	24	3	6	3	"InChI=1S/C15H12F4N4.ClH/c16-12-7-3-10(4-8-12)13(22-23-14(20)21)9-1-5-11(6-2-9)15(17,18)19;/h1-8H,(H4,20,21,23);1H/b22-13-;"	C1=CC(=CC=C1/C(=N/N=C(N)N)/C2=CC=C(C=C2)F)C(F)(F)F.Cl	SGDJEEPRBXBRJK-BWLGBDCWSA-N
DG64546	"4-(2-Pyridinyl)-1-piperazinecarbothioic acid, dihydrochloride"	10248991	"MLS002702962; 71555-55-0; 4-(2-PYRIDINYL)-1-PIPERAZINECARBOTHIOIC ACID, DIHYDROCHLORIDE; 4-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]piperazine-1-carbothioamide;hydrochloride; CHEMBL1995240; DTXSID20437339; NSC348977; NSC-348977; 1-Piperazinecarbothioic acid, [1-(2-pyridinyl)ethylidene]hydrazide, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	348977	.	.	.	.	376.9	C17H21ClN6S	88.7	446	.	25	2	5	3	"InChI=1S/C17H20N6S.ClH/c1-14(15-6-2-4-8-18-15)20-21-17(24)23-12-10-22(11-13-23)16-7-3-5-9-19-16;/h2-9H,10-13H2,1H3,(H,21,24);1H/b20-14+;"	C/C(=N\\NC(=S)N1CCN(CC1)C2=CC=CC=N2)/C3=CC=CC=N3.Cl	IKTIHHRILHMURF-RANVTSCRSA-N
DG64547	9-Bromonoscapine	10255081	"9-Bromonoscapine; UNII-R2YRH3UHW9; R2YRH3UHW9; CHEMBL3323240; (S)-3-((R)-9-Bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro-(1,3)dioxolo(4,5-g)isoquinolin-5-yl)-6,7-dimethoxyisobenzofuran-1(3H)-one; (S)-3-((R)-9-bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,7-dimethoxyisobenzofuran-1(3H)-one; SCHEMBL676698; BDBM50055041; EM-011; NSC733397; ZINC21948348; AKOS021664082; MCULE-1459531578; NSC-733397; (-)-EM-011; (3S)-3-((5R)-9-Bromo-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-6,7-dimethoxy-1(3H)-isobenzofuranone; (3S)-3-[(5R)-9-bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxyisobenzofuran-1(3H)-one; 1(3H)-Isobenzofuranone, 3-((5R)-9-bromo-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-6,7-dimethoxy-, (3S)-; 1-alpha-methyl-8-methoxy-5-bromo-6,-methylenedioxy-1-(6,7, -dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline; 488721-01-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733397	.	.	.	.	492.3	C22H22BrNO7	75.7	682	3.4	31	0	8	4	"InChI=1S/C22H22BrNO7/c1-24-8-7-10-13(19(28-4)21-20(15(10)23)29-9-30-21)16(24)17-11-5-6-12(26-2)18(27-3)14(11)22(25)31-17/h5-6,16-17H,7-9H2,1-4H3/t16-,17+/m1/s1"	CN1CCC2=C([C@@H]1[C@@H]3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)C(=C5C(=C2Br)OCO5)OC	PLMUFLAOTAHIIZ-SJORKVTESA-N
DG64548	"(3,5-Di-tert-butyl-4-hydroxybenzyl)triphenylphosphonium bromide"	10257261	"62546-89-8; (3,5-Di-tert-butyl-4-hydroxybenzyl)triphenylphosphonium bromide; SCHEMBL3240925; CHEMBL3229247; NSC157371; AKOS024430192; MCULE-3991093289; NSC-157371; Phosphonium,5-di-tert-butyl-4-hydroxybenzyl)triphenyl-, bromide; (3,5-ditert-butyl-4-hydroxyphenyl)methyl-triphenylphosphanium;bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157371	.	.	.	.	561.5	C33H38BrOP	20.2	569	.	36	1	2	7	"InChI=1S/C33H37OP.BrH/c1-32(2,3)29-22-25(23-30(31(29)34)33(4,5)6)24-35(26-16-10-7-11-17-26,27-18-12-8-13-19-27)28-20-14-9-15-21-28;/h7-23H,24H2,1-6H3;1H"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]	SBGJXXOQQZZMGU-UHFFFAOYSA-N
DG64549	Superstolide A	10258400	"Superstolide A; 156368-64-8; [(1R,2E,4E,6R,7R,10E,12Z,14E,16R,17R,19S,21S,22R)-7-[(2R,3S,4R)-4-acetamido-3-hydroxypentan-2-yl]-19-methoxy-3,6,13,16-tetramethyl-9-oxo-8-oxatricyclo[14.8.0.017,22]tetracosa-2,4,10,12,14,23-hexaen-21-yl] carbamate; 7H-Napth[2, acetamide deriv.; CHEMBL1987099; SCHEMBL15549458; NSC680074; NSC 680074; NSC-680074; Acetamide, N-((1R,2S,3R)-3-((1E,3Z,5E,9R,10R,11E,13E,14aR,16aR,17S,19S,20a     R,20bR)-17-((aminocarbonyl)oxy)-9,10,14a,16a,17,18,19,20,20a,20b-decahydro-19-methoxy-3,10,13,20b-tetramethyl-7-oxo-7H-naphth(2,1-h)oxacyclohexadecin-9-yl)-2-hydroxy-1-methylbutyl)-; Acetamide, N-(3-(17-((aminocarbonyl)oxy)-9,10,14a,16a,17,18,19,20,20a,20b-decahydro-19-methoxy-3,10,13,20b-tetramethyl-7-oxo-7H-naphth(2,1-h)oxacyclohexadecin-9-yl)-2-hydroxy-1-methylbutyl)-, (9R-(1E,3Z,5E,9R*(1R*,2S*,3R*),10R*,11E,13E,14aR*,16aR*,17S*,19S*,20aR*,20bR*))-; Acetamide,10,14a,16a, 17,18,19,20,20a,20b-decahydro-19-methoxy-3,10,13,13,20b- tetramethyl-7-oxo-7H-naphth[2,1-h]oxacyclohexadecin-9-yl]- 2-hydroxy-1-methylbutyl]-, [9R-[1E,3Z,5E,9R*(1R*,2S*,3R*),10R*,11E,13E,14aR*,16aR*,17S*,19S*,20aR*,20bR*]]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680074	.	.	.	.	624.8	C36H52N2O7	137	1260	5.4	45	3	7	7	"InChI=1S/C36H52N2O7/c1-21-10-9-11-32(40)45-34(24(4)33(41)25(5)38-26(6)39)23(3)13-12-22(2)18-27-14-15-29-30(36(27,7)17-16-21)19-28(43-8)20-31(29)44-35(37)42/h9-18,23-25,27-31,33-34,41H,19-20H2,1-8H3,(H2,37,42)(H,38,39)/b11-9+,13-12+,17-16+,21-10-,22-18+/t23-,24-,25-,27-,28+,29-,30-,31+,33+,34-,36+/m1/s1"	C[C@@H]1/C=C/C(=C/[C@H]2C=C[C@@H]3[C@H]([C@]2(/C=C/C(=C\\C=C\\C(=O)O[C@H]1[C@H](C)[C@@H]([C@@H](C)NC(=O)C)O)/C)C)C[C@@H](C[C@@H]3OC(=O)N)OC)/C	ZHDISDMFKHVMGN-ZFDTYWKFSA-N
DG64550	"6-[4-(1-cyclohexenyl)-1,3-butadiyn-1-yl]-2(2H)-pyranone"	10263039	"NSC726863; NSC-726863; 6-[4-(1-Cyclohexenyl)-1,3-butadiynyl]-2H-pyran-2-one; 6-[4-(1-cyclohexenyl)-1,3-butadiyn-1-yl]-2(2H)-pyranone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726863	.	.	.	.	224.25	C15H12O2	26.3	547	3.3	17	0	2	3	"InChI=1S/C15H12O2/c16-15-12-6-11-14(17-15)10-5-4-9-13-7-2-1-3-8-13/h6-7,11-12H,1-3,8H2"	C1CCC(=CC1)C#CC#CC2=CC=CC(=O)O2	XJLKHSOVACIIDZ-UHFFFAOYSA-N
DG64551	Amaminol A	10265530	"Amaminol A; 261622-18-8; (3S,4S)-1-[(3aR,4S,5R,7aS)-5-[(E)-but-1-enyl]-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]-4-aminopentan-3-ol; DTXSID10437621; NSC746541; NSC-746541"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746541	.	.	.	.	277.4	C18H31NO	46.2	349	3.9	20	2	2	6	"InChI=1S/C18H31NO/c1-3-4-6-14-9-10-15-7-5-8-16(15)17(14)11-12-18(20)13(2)19/h4,6,9-10,13-18,20H,3,5,7-8,11-12,19H2,1-2H3/b6-4+/t13-,14+,15-,16+,17+,18-/m0/s1"	CC/C=C/[C@@H]1C=C[C@@H]2CCC[C@H]2[C@@H]1CC[C@@H]([C@H](C)N)O	JCMLOIKRBBQIBA-HKYLSEBASA-N
DG64552	4-[(E)-2-benzyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenol	10274131	SCHEMBL7598246; NSC783098; NSC-783098	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783098	.	.	.	.	427.6	C29H33NO2	32.7	560	7.6	32	1	3	9	"InChI=1S/C29H33NO2/c1-2-24(22-23-8-4-3-5-9-23)29(25-10-14-27(31)15-11-25)26-12-16-28(17-13-26)32-21-20-30-18-6-7-19-30/h3-5,8-17,31H,2,6-7,18-22H2,1H3/b29-24+"	CC/C(=C(/C1=CC=C(C=C1)O)\\C2=CC=C(C=C2)OCCN3CCCC3)/CC4=CC=CC=C4	ZQQGJAQVSJHPOA-RMLRFSFXSA-N
DG64553	"3-({[4-({2-[(methoxycarbonyl)amino]-1H-1,3-benzodiazol-6-yl}oxy)phenyl]carbamoyl}amino)benzoic acid"	10276395	"benzimidazole-urea, 26; CHEMBL244097; SCHEMBL5359214; BDBM17798; NSC756323; NSC-756323; NCGC00241922-01; AB01092234-01; 3-({[4-({2-[(methoxycarbonyl)amino]-1H-1,3-benzodiazol-6-yl}oxy)phenyl]carbamoyl}amino)benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756323	.	.	.	.	461.4	C23H19N5O6	155	731	3.1	34	5	7	7	"InChI=1S/C23H19N5O6/c1-33-23(32)28-21-26-18-10-9-17(12-19(18)27-21)34-16-7-5-14(6-8-16)24-22(31)25-15-4-2-3-13(11-15)20(29)30/h2-12H,1H3,(H,29,30)(H2,24,25,31)(H2,26,27,28,32)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=CC(=C4)C(=O)O	GUDLICATRRESCW-UHFFFAOYSA-N
DG64554	"Benzthiazole-urea, 40"	10279624	"benzthiazole-urea, 40; GW693917A; CHEMBL244482; SCHEMBL5343542; BDBM17813; NSC756317; NSC-756317; NCGC00242048-01; AB01092230-01; methyl N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756317	.	.	.	.	520.5	C23H16F4N4O4S	130	771	5.4	36	3	10	6	"InChI=1S/C23H16F4N4O4S/c1-34-22(33)31-21-30-17-9-7-15(11-19(17)36-21)35-14-5-3-13(4-6-14)28-20(32)29-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,29,32)(H,30,31,33)"	COC(=O)NC1=NC2=C(S1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F	CLOKCIDZTVIDMJ-UHFFFAOYSA-N
DG64556	Genz-644282	10294813	"GENZ-644282; 529488-28-6; genz644282; Genz 644282; 2,3-dimethoxy-12-(2-(methylamino)ethyl)-[1,3]dioxolo[4',5':4,5]benzo[1,2-h]benzo[c][1,6]naphthyridin-13(12H)-one; UNII-717I541I2R; 529488-28-6 (free base); 717I541I2R; SCHEMBL241696; CHEMBL191958; EX-A481; AMY27674; AOB87160; BCP20983; ZINC6718458; NSC768112; AKOS030526835; CS-1525; GNZ-644282; NSC-768112; AS-82896; Benzo(C)(1,3)benzodioxolo(5,6-H)(1,6)naphthyridin-13(12H)-one, 2,3-dimethoxy-12-(2-(methylamino)ethyl)-; DA-42192; HY-16228; FT-0700324; A13206; A870863; Q27265941; GENZ644282;  GENZ 644282; SAR402674; SAR 402674; SAR-402674; 16,17-dimethoxy-21-[2-(methylamino)ethyl]-5,7-dioxa-11,21-diazapentacyclo[11.8.0.0^{2,10.0^{4,8.0^{14,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one; 16,17-dimethoxy-21-[2-(methylamino)ethyl]-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one; 8,9-dimethoxy-2,3-methylenedioxy-5-[2-(n-methylamino)ethyl]-5h-dibenzo[c,h]1,6-naphthyridin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768112	.	.	.	.	407.4	C22H21N3O5	82.2	636	2.2	30	1	7	5	"InChI=1S/C22H21N3O5/c1-23-4-5-25-21-14-8-19-20(30-11-29-19)9-16(14)24-10-15(21)12-6-17(27-2)18(28-3)7-13(12)22(25)26/h6-10,23H,4-5,11H2,1-3H3"	CNCCN1C2=C(C=NC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)OC)OC	BAORCAMWLWRZQG-UHFFFAOYSA-N
DG64558	"Benzimidazole-urea, 30"	10300768	"benzimidazole-urea, 30; CHEMBL244289; SCHEMBL5346834; BDBM17802; NSC756301; NSC-756301; NCGC00242060-01; AB01092226-01; methyl N-{6-[3-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1H-1,3-benzodiazol-2-yl}carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756301	.	.	.	.	503.4	C23H17F4N5O4	117	775	4.5	36	4	9	6	"InChI=1S/C23H17F4N5O4/c1-35-22(34)32-20-29-17-8-6-15(11-19(17)30-20)36-14-4-2-3-13(10-14)28-21(33)31-18-9-12(23(25,26)27)5-7-16(18)24/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC=CC(=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F	LQCMQMYFSPQXKA-UHFFFAOYSA-N
DG64559	N-hydroxy-2-(4-(naphthalen-2-ylsulfonyl)piperazin-1-yl)pyrimidine-5-carboxamide	10309899	"604769-01-9; N-hydroxy-2-(4-(naphthalen-2-ylsulfonyl)piperazin-1-yl)pyrimidine-5-carboxamide; R306465; UNII-5WD7KK1IIQ; JNJ-16241199; R-306465; 5WD7KK1IIQ; N-Hydroxy-2-(4-(naphthalen-2-ylsulfonyl)-piperazin-1-yl)pyrimidine-5-carboxamide; CHEMBL609583; 5-Pyrimidinecarboxamide, N-hydroxy-2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]- (9CI); SCHEMBL1663202; DTXSID00209218; ZINC3818418; 9013AB; BDBM50304782; MFCD13186898; NSC773264; AKOS015899841; N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide; DB12382; NSC-773264; QC-2503; 5-Pyrimidinecarboxamide, N-hydroxy-2-(4-(2-naphthalenylsulfonyl)-1-piperazinyl)-; N-Hydroxy-2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-5-pyrimidinecarboxamide; NCGC00351481-01; S10391; R306465(JNJ-16241199); Q27262965; 5-Pyrimidinecarboxamide,N-hydroxy-2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773264	.	.	.	.	413.5	C19H19N5O4S	124	669	1.3	29	2	8	4	"InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)"	C1CN(CCN1C2=NC=C(C=N2)C(=O)NO)S(=O)(=O)C3=CC4=CC=CC=C4C=C3	MUTBJZVSRNUIHA-UHFFFAOYSA-N
DG64560	NSC737064	10320046	"N-[3-(dimethylamino)propyl]-13-methyl-4-nitro-11-oxo-8,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1,3,5,7,9,12(16),14-heptaene-14-carboxamide; CHEMBL495147; NSC737064; NSC-737064"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737064	.	.	.	.	422.4	C21H22N6O4	125	713	2.2	31	2	7	5	"InChI=1S/C21H22N6O4/c1-25(2)8-4-7-22-21(29)17-10-16-19(26(17)3)20(28)14-11-23-15-6-5-12(27(30)31)9-13(15)18(14)24-16/h5-6,9-11H,4,7-8H2,1-3H3,(H,22,29)(H,24,28)"	CN1C(=CC2=C1C(=O)C3=CN=C4C=CC(=CC4=C3N2)[N+](=O)[O-])C(=O)NCCCN(C)C	ICHBPAFVIXUXIS-UHFFFAOYSA-N
DG64562	"6,7-Dichloro-3-methyl-4-oxido-2-phenylsulfanylquinoxalin-1-ium 1-oxide"	10338132	CHEMBL576503; NSC732317; NSC-732317	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732317	.	.	.	.	353.2	C15H10Cl2N2O2S	71.7	482	3.9	22	0	4	2	"InChI=1S/C15H10Cl2N2O2S/c1-9-15(22-10-5-3-2-4-6-10)19(21)14-8-12(17)11(16)7-13(14)18(9)20/h2-8H,1H3"	CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)SC3=CC=CC=C3	GUHFHLOCDAIDRQ-UHFFFAOYSA-N
DG64563	"5,11-dioxo-11H-indeno{1,2-c] isoquinoline Hydrochloride"	10338254	"CHEMBL187863; NSC726769; NSC-726769; 5,11-dioxo-11H-indeno{1,2-c] isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726769	.	.	.	.	354.8	C20H19ClN2O2	63.4	568	.	25	2	3	4	"InChI=1S/C20H18N2O2.ClH/c21-11-5-6-12-22-18-14-8-2-3-9-15(14)19(23)17(18)13-7-1-4-10-16(13)20(22)24;/h1-4,7-10H,5-6,11-12,21H2;1H"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCN.Cl	DPVMCOIVRZSKKX-UHFFFAOYSA-N
DG64564	NSC725774	10346993	"6-[3-(Bis-hydroxyethylamino)-1-propyl]-5,3-~ dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride; CHEMBL157005; NSC725774; NSC-725774; 6-[3-(Bis-hydroxyethylamino)-1-propyl]-5,3-~ dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725774	.	.	.	.	533	C26H29ClN2O8	118	859	.	37	3	9	10	"InChI=1S/C26H28N2O8.ClH/c1-33-19-10-15-18(13-20(19)34-2)26(32)28(5-3-4-27(6-8-29)7-9-30)24-16-11-21-22(36-14-35-21)12-17(16)25(31)23(15)24;/h10-13,29-30H,3-9,14H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN(CCO)CCO)OC.Cl	WLYJHORQQHFUSE-UHFFFAOYSA-N
DG64565	Waol A FD-211	10354084	"Waol A FD-211; 162341-24-4; (2R,3R,7S,7aR)-3-hydroxy-2,7-bis[(E)-prop-1-enyl]-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-5-one; Waol A; (2R,3R,7S,7aR)-2,3,7,7a-tetrahydro-3-hydroxy-2,7-di-(1E)-1-propen-1-yl-5H-furo[3,4-b]pyran-5-one; NSC726144; NSC-726144"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726144	.	.	.	.	236.26	C13H16O4	55.8	394	0.9	17	1	4	2	"InChI=1S/C13H16O4/c1-3-5-10-9(14)7-8-12(16-10)11(6-4-2)17-13(8)15/h3-7,9-12,14H,1-2H3/b5-3+,6-4+/t9-,10-,11+,12-/m1/s1"	C/C=C/[C@@H]1[C@@H](C=C2[C@@H](O1)[C@@H](OC2=O)/C=C/C)O	QXZDESIVIREXNJ-XQJSVKFYSA-N
DG64566	Gymnasterkoreayne F	10355169	"GYMNASTERKOREAYNE F; (2E,9Z)-2,9,16-heptadecatrien-4,6-diyn-1,8-diol; CHEMBL465856; NSC735472; NSC-735472"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735472	.	.	.	.	258.35	C17H22O2	40.5	417	3.7	19	2	2	9	"InChI=1S/C17H22O2/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18/h2,10-11,13-14,17-19H,1,3-6,8,16H2/b13-10+,14-11-/t17-/m0/s1"	C=CCCCCC/C=C\\[C@@H](C#CC#C/C=C/CO)O	UOQDNDFAPLNEJQ-RZTJKQGCSA-N
DG64568	NSC787047	10369242	"(S)-5-(4-Hydroxy-4-methylisoxazolidine-2-carbonyl)-1-isopropyl-3-methyl-6-((5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione; AZD3965; 1448671-31-5; AZD-3965; AZD 3965; UNII-39OM5Y4K2F; 39OM5Y4K2F; (S)-5-(4-Hydroxy-4-methylisoxazolidine-2-carbonyl)-1-isopropyl-3-methyl-6-((5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione; (S)-5-(4-hydroxy-4-methylisoxazolidine-2-carbonyl)-1-isopropyl-3-methyl-6-((3-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione; 5-[(4S)-4-hydroxy-4-methyl-1,2-oxazolidine-2-carbonyl]-3-methyl-6-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione; 733809-45-5; CID 10369242; SCHEMBL2875156; GTPL10605; EX-A806; AZD 3965 [WHO-DD]; HMS3873L03; BCP09948; BCP17734; NSC787047; s7339; ZINC38662649; CCG-269813; NSC-787047; NCGC00415059-01; AC-33040; AS-75322; BA164976; HY-12750; A14186; J-690346; 4-(2-{[5-Methyl-1-(2-naphthyl)-1H-pyrazol-3-yl]oxy}ethyl)morpholine hydrochloride; 5-(((4S)-4-Hydroxy-4-methyl-2-isoxazolidinyl)carbonyl)-3-methyl-1-(1-methylethyl)-6-((5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)thieno(2,3-d)pyrimidine-2,4(1H,3H)-dione; 5-[(4s)-4-hydroxy-4-methyl-1,2-oxazolidine-2-carbonyl]-1-isopropyl-3-methyl-6-{[3-methyl-5-(trifluoromethyl)-2h-pyrazol-4-yl]methyl}thieno[2,3-d]pyrimidine-2,4-dione; 5-[(4S)-4-hydroxy-4-methyl-1,2-oxazolidine-2-carbonyl]-3-methyl-6-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-1-(propan-2-yl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione; 5-[[(4S)-4-Hydroxy-4-methyl-2-isoxazolidinyl]carbonyl]-3-methyl-1-(1-methylethyl)-6-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787047	.	.	.	.	515.5	C21H24F3N5O5S	147	894	2	35	2	10	4	"InChI=1S/C21H24F3N5O5S/c1-9(2)29-18-14(16(30)27(5)19(29)32)13(17(31)28-7-20(4,33)8-34-28)12(35-18)6-11-10(3)25-26-15(11)21(22,23)24/h9,33H,6-8H2,1-5H3,(H,25,26)/t20-/m0/s1"	CC1=C(C(=NN1)C(F)(F)F)CC2=C(C3=C(S2)N(C(=O)N(C3=O)C)C(C)C)C(=O)N4C[C@](CO4)(C)O	PRNXOFBDXNTIFG-FQEVSTJZSA-N
DG64569	Cryptocaryone	10379026	"Cryptocaryone; 39012-05-0; (3aR,4Z,7aS)-4-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-3a,7a-dihydro-3H-1-benzofuran-2,5-dione; CHEMBL1782085; DTXSID60439014; CHEBI:184734; NSC752463; NSC-752463; (4Z)-3a,4-dihydro-4-((E)-1-hydroxy-3-phenylallylidene)benzofuran-2,5(3H,7aH)-dione; (3aR,4Z,7aS)-4-[(E)-1-hydroxy-3-phenyl-prop-2-enylidene]-3a,7a-dihydro-3H-benzofuran-2,5-dione; (3aR,4Z,7aS)-4-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-3a,7a-dihydro-3H-1-benzouran-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752463	.	.	.	.	282.29	C17H14O4	63.6	535	2.6	21	1	4	2	"InChI=1S/C17H14O4/c18-13(7-6-11-4-2-1-3-5-11)17-12-10-16(20)21-15(12)9-8-14(17)19/h1-9,12,15,18H,10H2/b7-6+,17-13-/t12-,15-/m0/s1"	C1[C@H]\\2[C@H](C=CC(=O)/C2=C(/C=C/C3=CC=CC=C3)\\O)OC1=O	PTLQMLWEJRHXDU-VHIARPGFSA-N
DG64570	"9-Chloro-2-methylellipticinium acetate, hydrate"	10383530	"CHEMBL68820; NSC632855; NSC-632855; 9-Chloro-2-methylellipticinium acetate, hydrate; 6H-Pyrido[4, 9-chloro-2,5,11-trimethyl-, acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632855	.	.	.	.	354.8	C20H19ClN2O2	59.8	426	.	25	1	2	0	"InChI=1S/C18H15ClN2.C2H4O2/c1-10-15-9-21(3)7-6-13(15)11(2)18-17(10)14-8-12(19)4-5-16(14)20-18;1-2(3)4/h4-9H,1-3H3;1H3,(H,3,4)"	CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)Cl)C)C.CC(=O)[O-]	TUDWARPSAGMNMB-UHFFFAOYSA-N
DG64571	7-ethyl-9-amino-20(S)-camptothecin	10385778	"SCHEMBL2980991; NSC673595; 7-ethyl-9-amino-20(S)-camptothecin; NSC-673595; 4alpha-Ethyl-4beta-hydroxy-10-amino-11-ethyl-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673595	.	.	.	.	391.4	C22H21N3O4	106	821	1.1	29	2	6	2	"InChI=1S/C22H21N3O4/c1-3-11-12-9-25-17(19(12)24-16-7-5-6-15(23)18(11)16)8-14-13(20(25)26)10-29-21(27)22(14,28)4-2/h5-8,28H,3-4,9-10,23H2,1-2H3/t22-/m0/s1"	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=CC=CC(=C51)N	XEZHQWJDQCESCS-QFIPXVFZSA-N
DG64572	"2-Bromo-3-methoxy-6-(methylamino)-9,10-[1,2]be nzenoanthracene-1,4,5,8-tetraone."	10389134	"NSC727284; NSC-727284; 2-Bromo-3-methoxy-6-(methylamino)-9,10-[1,2]be nzenoanthracene-1,4,5,8-tetraone."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727284	.	.	.	.	452.3	C22H14BrNO5	89.5	1040	2.4	29	1	6	2	"InChI=1S/C22H14BrNO5/c1-24-10-7-11(25)14-12-8-5-3-4-6-9(8)13(15(14)19(10)26)17-16(12)20(27)18(23)22(29-2)21(17)28/h3-7,12-13,24H,1-2H3"	CNC1=CC(=O)C2=C(C1=O)C3C4=CC=CC=C4C2C5=C3C(=O)C(=C(C5=O)Br)OC	WNABUEWSBVIKOQ-UHFFFAOYSA-N
DG64573	2-[(alphaZ)-5-Nitrofurfurylidene]benzofuran-3(2H)-one	10400204	CHEMBL331350; NSC772281; NSC-772281; 2-[(5-Nitro-2-furyl)methylene]benzofuran-3(2H)-one; 2-[(alphaZ)-5-Nitrofurfurylidene]benzofuran-3(2H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772281	.	.	.	.	257.2	C13H7NO5	85.3	427	2.9	19	0	5	1	InChI=1S/C13H7NO5/c15-13-9-3-1-2-4-10(9)19-11(13)7-8-5-6-12(18-8)14(16)17/h1-7H/b11-7-	C1=CC=C2C(=C1)C(=O)/C(=C/C3=CC=C(O3)[N+](=O)[O-])/O2	OLSVXAMJDQNRMO-XFFZJAGNSA-N
DG64574	"(1S,7S,9R,10S)-1,9-Dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecane-5,12-dione"	10400578	"(1S,7S,9R,10S)-1,9-Dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecane-5,12-dione; 16983-23-6; NSC-136718; CHEMBL1975417; NSC136718; Furo[2',6]cycloheepta[1,2-c]pyran-2,7(3H,4H)-dione, 3a,4a,5,8,8a.alpha.,9,10a.beta.-octahydro-4a.beta.,9.alpha.-dimethyl-3-methylene-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136718	.	.	.	.	264.32	C15H20O4	52.6	455	2.4	19	0	4	0	"InChI=1S/C15H20O4/c1-8-4-12-10(9(2)14(17)19-12)6-15(3)7-18-13(16)5-11(8)15/h8,10-12H,2,4-7H2,1,3H3/t8-,10 ,11+,12+,15-/m1/s1"	C[C@@H]1C[C@H]2C(C[C@]3([C@H]1CC(=O)OC3)C)C(=C)C(=O)O2	GKYRUDQNQRLJRF-XGOSFXCESA-N
DG64575	5-Methoxy-2-[(alphaZ)-5-nitrofurfurylidene]benzofuran-3(2H)-one	10401775	CHEMBL122734; NSC772277; NSC-772277; 5-Methoxy-2-[(5-nitro-2-furyl)methylene]benzofuran-3(2H)-one; 5-Methoxy-2-[(alphaZ)-5-nitrofurfurylidene]benzofuran-3(2H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772277	.	.	.	.	287.22	C14H9NO6	94.5	471	2.8	21	0	6	2	"InChI=1S/C14H9NO6/c1-19-8-2-4-11-10(6-8)14(16)12(21-11)7-9-3-5-13(20-9)15(17)18/h2-7H,1H3/b12-7-"	COC1=CC2=C(C=C1)O/C(=C\\C3=CC=C(O3)[N+](=O)[O-])/C2=O	ZKJCFDIOIGKLOB-GHXNOFRVSA-N
DG64576	"N-Hexyl-5-(2,5-dihydroxybenzylamino)-2-hydroxybenzamide"	10406106	"CHEMBL122397; BDBM50102414; NSC798525; NSC-798525; N-Hexyl-5-(2,5-dihydroxybenzylamino)-2-hydroxybenzamide; 5-(2,5-Dihydroxy-benzylamino)-N-hexyl-2-hydroxy-benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798525	.	.	.	.	358.4	C20H26N2O4	102	421	4.5	26	5	5	9	"InChI=1S/C20H26N2O4/c1-2-3-4-5-10-21-20(26)17-12-15(6-8-19(17)25)22-13-14-11-16(23)7-9-18(14)24/h6-9,11-12,22-25H,2-5,10,13H2,1H3,(H,21,26)"	CCCCCCNC(=O)C1=C(C=CC(=C1)NCC2=C(C=CC(=C2)O)O)O	MFNPKZBKWKGSLK-UHFFFAOYSA-N
DG64577	NSC726528	10415114	"7-Methoxy-8-{4-[7-methoxy-(11aS)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one-8-yloxy]butoxy}-(11aS)-1,2,3,11a-tetrahy-dro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one; SCHEMBL6489057; NSC726528; NSC-726528; 7-Methoxy-8-{4-[7-methoxy-(11aS)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one-8-yloxy]butoxy}-(11aS)-1,2,3,11a-tetrahy-dro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one; 7-methoxy-8-{4-[7-methoxy-(11aS)-1,3,10,11,11a-hexahydro-5 H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one-8-yloxy]butoxy}-(11 aS)-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazine- 5-one."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726528	.	.	.	.	548.6	C30H36N4O6	102	934	3.2	40	1	8	9	"InChI=1S/C30H36N4O6/c1-37-25-13-21-23(31-17-19-7-5-9-33(19)29(21)35)15-27(25)39-11-3-4-12-40-28-16-24-22(14-26(28)38-2)30(36)34-10-6-8-20(34)18-32-24/h13-17,19-20,32H,3-12,18H2,1-2H3/t19-,20-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3CN2)OCCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC	VCGUOFPHHADNOU-PMACEKPBSA-N
DG64578	3-Bromo-4-phenylethynyl-2(5H)-furanone	10422840	3-Bromo-4-phenylethynyl-2(5H)-furanone; NSC726329; NSC-726329; 672304-81-3; 3-Bromo-4-(phenylethynyl)furan-2(5H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726329	.	.	.	.	263.09	C12H7BrO2	26.3	364	2.7	15	0	2	2	"InChI=1S/C12H7BrO2/c13-11-10(8-15-12(11)14)7-6-9-4-2-1-3-5-9/h1-5H,8H2"	C1C(=C(C(=O)O1)Br)C#CC2=CC=CC=C2	VAXZWKWVUPCXFX-UHFFFAOYSA-N
DG64579	"2-Methyl-5-[(6,7-dimethoxyquinazoline-4-yl)amino]phenol"	10425574	"GW410563A; quinazoline, 2; CHEMBL478442; SCHEMBL5651286; BDBM26477; NSC756225; NSC-756225; NCGC00242162-01; AB01092210-01; 5-(6,7-dimethoxy-quinazolin-4-ylamino)-2-methyl-phenol; 5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenol; 2-Methyl-5-[(6,7-dimethoxyquinazoline-4-yl)amino]phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756225	.	.	.	.	311.33	C17H17N3O3	76.5	384	3.4	23	2	6	4	"InChI=1S/C17H17N3O3/c1-10-4-5-11(6-14(10)21)20-17-12-7-15(22-2)16(23-3)8-13(12)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)"	CC1=C(C=C(C=C1)NC2=NC=NC3=CC(=C(C=C32)OC)OC)O	XRFFUVUJIBWJII-UHFFFAOYSA-N
DG64580	"2,5,11-trimethyl-9-phenoxy-6H-pyrido[4,3-b]carbazol-2-ium;acetate"	10431819	CHEMBL293549; NSC650269; NSC-650269	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650269	.	.	.	.	412.5	C26H24N2O3	69	544	.	31	1	3	2	"InChI=1S/C24H20N2O.C2H4O2/c1-15-21-14-26(3)12-11-19(21)16(2)24-23(15)20-13-18(9-10-22(20)25-24)27-17-7-5-4-6-8-17;1-2(3)4/h4-14H,1-3H3;1H3,(H,3,4)"	CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC5=CC=CC=C5)C)C.CC(=O)[O-]	DWVYSEBPFZAVNE-UHFFFAOYSA-N
DG64581	1-Benzyl-3-cetyl-2-methylimidazolium iodide	10436839	"NH125; 278603-08-0; 1-Benzyl-3-cetyl-2-methylimidazolium iodide; eEF-2 Kinase Inhibitor, NH125; NH 125; nh-125; 1-Hexadecyl-2-methyl-3-(phenylmethyl)-1H-imidazolium iodide; 3-Benzyl-1-hexadecyl-2-methyl-1H-imidazol-3-ium iodide; CHEMBL1683636; MFCD07370143; SCHEMBL16178246; C27H45IN2; DTXSID20439853; C27H45N2.I; HMS3229F01; HMS3413N08; HMS3653H03; HMS3674I07; HMS3677N08; BCP29662; 2585AH; BDBM50555899; NSC717205; s7436; AKOS002375936; AKOS024457631; CCG-269881; NSC-717205; NH125, >=98% (HPLC), solid; AS-59744; HY-100576; CS-0019731; SW220089-1; EC-000.2372; A14307; C74441; A924174; 1-benzyl-3-hexadecyl-2-methylimidazol-1-ium;iodide; J-016899; NH-125; NH 125;eEF-2 Kinase Inhibitor, NH125; 1-Hexadecyl-2-methyl-3-(phenylmethyl)-1H-imidazoliumiodide; eEF-2 Kinase Inhibitor, NH125 - CAS 278603-08-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717205	.	.	.	.	524.6	C27H45IN2	8.8	364	.	30	0	1	17	"InChI=1S/C27H45N2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-28-23-24-29(26(28)2)25-27-20-17-16-18-21-27;/h16-18,20-21,23-24H,3-15,19,22,25H2,1-2H3;1H/q+1;/p-1"	CCCCCCCCCCCCCCCCN1C=C[N+](=C1C)CC2=CC=CC=C2.[I-]	RVWOHCBHAGBLLT-UHFFFAOYSA-M
DG64582	"(S)-Morpholin-3-ylmethyl (4-((1-(3-fluorobenzyl)-1H-indazol-5-yl)amino)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate"	10437018	"BMS-599626; 714971-09-2; AC480; AC-480; BMS 599626; (S)-Morpholin-3-ylmethyl (4-((1-(3-fluorobenzyl)-1H-indazol-5-yl)amino)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate; BMS599626; AC480 (BMS-599626); UNII-2252724U5N; CHEMBL1645462; 2252724U5N; C27H27FN8O3; [(3S)-morpholin-3-yl]methyl N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate; AC1480 (free base); GTPL7647; SCHEMBL12065349; AOB5594; DTXSID60221714; SYN1142; EX-A2296; ZINC6717782; BDBM50333373; C27H44O11; MFCD10565678; NSC764135; NSC799323; s1056; AKOS015999853; BCP9000428; CCG-269915; CS-0407; DB12318; NSC-764135; NSC-799323; NCGC00346483-01; NCGC00346483-05; NCGC00346483-11; AC-32830; AS-16281; Carbamic acid, N-(4-((1-((3-fluorophenyl)methyl)-1H-indazol-5-yl)amino)-5-methylpyrrolo(2,1-F)(1,2,4)triazin-6-yl)-, (3S)-3-morpholinylmethyl ester; HY-10251; BMS-599626 (AC480); X7467; Y0348; BMS-599626, >=98% (HPLC); J-502499; J-519990; Q27075357; 1,2,3,4-Tetra-O-pivaloyl-  -D-glucopyranuronic acid methyl ester; (S)-morpholin-3-ylmethyl 4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-ylcarbamate; (S)-morpholin-3-ylmethyl 4-(3-(4-fluorobenzyl)-1H-indazol-6-ylamino)pyrrolo[1,2-f][1,2,4]triazin-6-ylcarbamate; (S)-morpholin-3-ylmethyl-4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-ylcarbamate; [(3S)-Morpholin-3-yl]methyl N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate; [4-[[1-(3-Fluorobenzyl)-1H-indazole-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-yl]carbamic acid [(3S)-morpholine-3-yl]methyl ester; [4-[[1-(3-fluorophenyl)methyl]-1H-indazol-5-ylamino]-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl]-carbamic acid; Carbamic acid, [4-[[1-[(3-Fluorophenyl)methyl]-1h-indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]-, (3s)-3-morpholiny lmethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764135	.	.	.	.	530.6	C27H27FN8O3	120	828	2.8	39	3	9	8	"InChI=1S/C27H27FN8O3/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33)/t22-/m0/s1"	CC1=C2C(=NC=NN2C=C1NC(=O)OC[C@@H]3COCCN3)NC4=CC5=C(C=C4)N(N=C5)CC6=CC(=CC=C6)F	LUJZZYWHBDHDQX-QFIPXVFZSA-N
DG64583	"(3E)-3-[(6-Phenylimidazo[2,1-b]thiazol-5-yl)methylene]-1,3-dihydro-2H-indol-2-one"	10450131	"NSC726900; NSC-726900; (3E)-3-[(6-Phenylimidazo[2,1-b]thiazol-5-yl)methylene]-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726900	.	.	.	.	343.4	C20H13N3OS	74.6	559	4.5	25	1	3	2	"InChI=1S/C20H13N3OS/c24-19-15(14-8-4-5-9-16(14)21-19)12-17-18(13-6-2-1-3-7-13)22-20-23(17)10-11-25-20/h1-12H,(H,21,24)/b15-12+"	C1=CC=C(C=C1)C2=C(N3C=CSC3=N2)/C=C/4\\C5=CC=CC=C5NC4=O	AKDLJYXQWHRAPB-NTCAYCPXSA-N
DG64584	20(S)-Camptothecin-21-lactam	10450357	"CHEMBL415745; 20(S)-Camptothecin-21-lactam; SCHEMBL17779637; NSC613799; NSC-613799; 4beta-Hydroxy-4-ethyl-2H-2,6,12a-triaza-1H-dibenzo[b,h]fluorene-3,13(4H,12H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	613799	.	.	.	.	347.4	C20H17N3O3	82.5	743	0.4	26	2	4	1	"InChI=1S/C20H17N3O3/c1-2-20(26)14-8-16-17-12(7-11-5-3-4-6-15(11)22-17)10-23(16)18(24)13(14)9-21-19(20)25/h3-8,26H,2,9-10H2,1H3,(H,21,25)/t20-/m0/s1"	CC[C@@]1(C2=C(CNC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	BADYCAWLXKLLMB-FQEVSTJZSA-N
DG64585	Volasertib	10461508	"Volasertib; 755038-65-4; BI 6727; Volasertib (BI 6727); BI6727 (Volasertib); BI-6727; UNII-6EM57086EA; 6EM57086EA; BI6727; Bi6727(volasertib); N-((1s,4S)-4-(4-(cyclopropylmethyl)piperazin-1-yl)cyclohexyl)-4-(((R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino)-3-methoxybenzamide; N-(Trans-4-(4-(cyclopropylMethyl)piperazin-1-yl)cyclohexyl)-4-(((R)-7-ethyl-8-isopropyl-5-Methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)aMino)-3-MethoxybenzaMide; N-{trans-4-[4-(Cyclopropylmethyl)piperazin-1-Yl]cyclohexyl}-4-{[(7r)-7-Ethyl-5-Methyl-8-(1-Methylethyl)-6-Oxo-5,6,7,8-Tetrahydropteridin-2-Yl]amino}-3-Methoxybenzamide; Volasertib [USAN:INN]; IBI; Volasertib (USAN); BI6727,Volasertib; Volasertib(BI6727); BI6727 - Volasertib; Volasertib (BI6727); MLS006011195; SCHEMBL738946; GTPL7947; SCHEMBL2169101; SCHEMBL9888052; CHEMBL1233528; CHEMBL4284151; SCHEMBL21916558; BCPP000341; C34H50N8O3; AOB87138; BCP02405; EX-A1364; BDBM50402023; MFCD20926414; NSC757149; NSC800965; s2235; ZINC39716290; AKOS030257530; ZINC100071772; ZINC248087828; BCP9000403; CCG-264952; CS-0274; DB12062; NSC-757149; NSC-800965; NCGC00263087-01; NCGC00263087-02; NCGC00263087-03; NCGC00263087-12; NCGC00263087-15; NCGC00485964-01; AC-32844; AS-16996; HY-12137; SMR004702964; SW218140-2; X7437; D10182; SR-03000003275; Q7939986; SR-03000003275-1; Benzamide, N-(trans-4-(4-(cyclopropylmethyl)-1-piperazinyl)cyclohexyl)-4-(((7R)-7-ethyl-5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl)amino)-3-methoxy-; N-((trans)-4-(4-(cyclopropylmethyl)piperazin-1-yl)cyclohexyl)-4-((R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-ylamino)-3-methoxybenzamide; N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-4-[[(7R)-7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxybenzamide; n-[trans-4-[4-(cyclopropylmethyl)-1-piperazinyl]cyclohexyl]-4-[[(7r)-7-ethyl-5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl]amino]-3-methoxy-benzamide; n-[trans-4-[4-(cyclopropylmethyl)-1-piperazinyl]cyclohexyl]-4-[[(7r)-7-ethyl-5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl]amino]-3-methoxybenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757149	.	.	.	.	618.8	C34H50N8O3	106	996	4.6	45	2	9	10	"InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25 ,26 ,28-/m1/s1"	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C(C)C)NC3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N5CCN(CC5)CC6CC6)OC)C	SXNJFOWDRLKDSF-XKHVUIRMSA-N
DG64586	Pha-665752	10461815	"PHA-665752; 477575-56-7; PHA665752; PHA 665752; TCMDC-125885; UNII-0VXU5T5R3J; (2R)-1-[[5-[(Z)-[5-[[(2,6-DICHLOROPHENYL)METHYL]SULFONYL]-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE]METHYL]-2,4-DIMETHYL-1H-PYRROL-3-YL]CARBONYL]-2-(1-PYRROLIDINYLMETHYL)PYRROLIDINE; (R,Z)-5-((2,6-dichlorobenzyl)sulfonyl)-3-((3,5-dimethyl-4-(2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl)-1H-pyrrol-2-yl)methylene)indolin-2-one; PHA-665752 hydrate; 0VXU5T5R3J; CHEMBL450786; CHEBI:90197; (R,Z)-5-(2,6-dichlorobenzylsulfonyl)-3-((3,5-dimethyl-4-(2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl)-1H-pyrrol-2-yl)methylene)indolin-2-one; (3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one; (2R)-1-[[5-[(Z)-[5-[[(2,6-Dichlorophenyl)methyl]sulfonyl]-1,2-dihydro-2-oxo-3H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]c arbonyl]-2-(1-pyrrolidinylmethyl)pyrrolidine; SCHEMBL93654; C32H34Cl2N4O4S; GTPL5700; DTXSID30197270; EX-A019; BCPP000112; HMS3269N19; HMS3413B20; HMS3677B20; AMY24192; ZINC3938668; 2650AH; BDBM50242737; MFCD07772270; MFCD18632554; NSC748798; NSC766271; AKOS015896678; CCG-264805; CS-0137; NSC-748798; NSC-766271; QC-7247; 2H-Indol-2-one, 5-(((2,6-dichlorophenyl)methyl)sulfonyl)-3-((3,5-dimethyl-4-(((2R)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl)carbonyl)-1H-pyrrol-2-yl)methylene)-1,3-dihydro-, (3Z)-; AC-30914; HY-11107; S1070; EC-000.2429; A15588; J-500906; BRD-K95435023-001-01-0; BRD-K95435023-001-10-1; Q27088356; (3Z)-5-[(2,6-dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one; (3Z)-5-[[(2,6-Dichlorophenyl)methyl]sulfonyl]-3-[[3,5-dimethyl-4-[[(2R)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl]-1H-pyrrol-2-yl]methylene]-1,3-dihydro-2H-indol-2-one; (3Z)-5-[[(2,6-Dichlorophenyl)methyl]sulfonyl]-3-[[3,5-dimethyl-4-[[(2R)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl]-1H-pyrrol-2-yl]methylene]-1,3-dihydro-2H-indol-2-one hydrate; (3Z)-5-{[(2,6-dichlorophenyl)methane]sulfonyl}-3-[(3,5-dimethyl-4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one; 5-(2,6-dichloro-phenylmethanesulfonyl)-3-[1-[3,5-dimethyl-4-((r)-2-pyrrolidin-1-ylmethyl-pyrrolidine-1-carbonyl)-1h-pyrrol-2-yl]-meth-(z)-ylidene]-1,3-dihydro-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766271	.	.	.	.	641.6	C32H34Cl2N4O4S	111	1180	5	43	2	5	7	"InChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/b24-16-/t21-/m1/s1"	CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	OYONTEXKYJZFHA-SSHUPFPWSA-N
DG64587	3-bromo-4-(1-hexynyl)-2(5H)-furanone	10466937	NSC726327; NSC-726327; 3-bromo-4-(1-hexynyl)-2(5H)-furanone; 3-Bromo-4-(1-hexynyl)furan-2(5H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726327	.	.	.	.	243.1	C10H11BrO2	26.3	303	2.9	13	0	2	3	"InChI=1S/C10H11BrO2/c1-2-3-4-5-6-8-7-13-10(12)9(8)11/h2-4,7H2,1H3"	CCCCC#CC1=C(C(=O)OC1)Br	KJEKSVOBQOQQKR-UHFFFAOYSA-N
DG64588	Pareitropone	10469514	PAREITROPONE; CHEMBL157560; NSC725752; NSC-725752	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725752	.	.	.	.	291.3	C18H13NO3	48.4	577	2.2	22	0	4	2	"InChI=1S/C18H13NO3/c1-21-14-9-10-7-8-19-17-13-6-4-11(20)3-5-12(13)16(15(10)17)18(14)22-2/h3-9H,1-2H3"	COC1=C(C2=C3C(=C1)C=CN=C3C4=C2C=CC(=O)C=C4)OC	KWTAOJVETXMPDJ-UHFFFAOYSA-N
DG64589	"2,9-Dimethylellipticinium acetate"	10472068	"CHEMBL68107; 2,9-Dimethylellipticinium acetate; NSC639364; NSC-639364; 2-N-Methyl-9-methylellipticinium acetate; 6H-Pyrido[4, 2,5,9,11-tetramethyl-,acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639364	.	.	.	.	334.4	C21H22N2O2	59.8	421	.	25	1	2	0	"InChI=1S/C19H18N2.C2H4O2/c1-11-5-6-17-15(9-11)18-12(2)16-10-21(4)8-7-14(16)13(3)19(18)20-17;1-2(3)4/h5-10H,1-4H3;1H3,(H,3,4)"	CC1=CC2=C(C=C1)NC3=C2C(=C4C=[N+](C=CC4=C3C)C)C.CC(=O)[O-]	UFHIGSVKGJUWBM-UHFFFAOYSA-N
DG64590	"Propyl 6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium-5-carboxylate;iodide"	10499110	NSC741776; NSC-741776	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741776	.	.	.	.	366.22	C11H15IN2O2S	63.6	275	.	17	0	4	4	"InChI=1S/C11H15N2O2S.HI/c1-4-6-15-10(14)9-8(2)12(3)11-13(9)5-7-16-11;/h5,7H,4,6H2,1-3H3;1H/q+1;/p-1"	CCCOC(=O)C1=C(N(C2=[N+]1C=CS2)C)C.[I-]	HZRZPXWBGQZGQW-UHFFFAOYSA-M
DG64591	"(3E)-3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	10542358	NSC726899; NSC-726899	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726899	.	.	.	.	301.8	C14H8ClN3OS	74.6	458	3.8	20	1	3	1	"InChI=1S/C14H8ClN3OS/c15-12-11(18-5-6-20-14(18)17-12)7-9-8-3-1-2-4-10(8)16-13(9)19/h1-7H,(H,16,19)/b9-7+"	C1=CC=C2C(=C1)/C(=C\\C3=C(N=C4N3C=CS4)Cl)/C(=O)N2	JLTIPTKNMTUOBO-VQHVLOKHSA-N
DG64592	"2,2-syn-2-[4'-methoxyphenylsulfenyl] Brefeldin A"	10550891	"CHEMBL326974; NSC690980; NSC-690980; 2,2-syn-2-[4'-methoxyphenylsulfenyl] Brefeldin A; 2,2-syn-(3R)-[4'-methoxyphenylsulfinyl] brefeldin A"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690980	.	.	.	.	436.6	C23H32O6S	112	615	3	30	2	7	3	"InChI=1S/C23H32O6S/c1-15-6-4-3-5-7-16-12-17(24)13-20(16)23(26)21(14-22(25)29-15)30(27)19-10-8-18(28-2)9-11-19/h5,7-11,15-17,20-21,23-24,26H,3-4,6,12-14H2,1-2H3/b7-5+/t15-,16+,17-,20+,21+,23-,30 /m0/s1"	C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H]([C@@H](CC(=O)O1)S(=O)C3=CC=C(C=C3)OC)O)O	LNLIDCISFIYWLB-HENMLQJWSA-N
DG64593	"2,2':5',2''-Terfuran-5,5''-bismethanol"	10563267	"SCHEMBL8411578; NSC672348; NSC-672348; 2,2':5',2''-Terfuran-5,5''-bismethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672348	.	.	.	.	260.24	C14H12O5	79.9	270	0.8	19	2	5	4	"InChI=1S/C14H12O5/c15-7-9-1-3-11(17-9)13-5-6-14(19-13)12-4-2-10(8-16)18-12/h1-6,15-16H,7-8H2"	C1=C(OC(=C1)C2=CC=C(O2)C3=CC=C(O3)CO)CO	KSYJABTUUWKBFC-UHFFFAOYSA-N
DG64594	"2-(2,3-Dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diol"	10585764	NSC732197; AKOS005144784; NSC-732197	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732197	.	.	.	.	234.28	C11H10N2O2S	83.6	266	1.5	16	2	4	1	"InChI=1S/C11H10N2O2S/c14-7-1-2-10(15)8(5-7)9-6-13-3-4-16-11(13)12-9/h1-2,5-6,14-15H,3-4H2"	C1CSC2=NC(=CN21)C3=C(C=CC(=C3)O)O	CBEZIIZBJCVGML-UHFFFAOYSA-N
DG64595	"1-Methyl-5-(2-methyl-1-aziridinyl)-3-(hydroxymethyl)-1H-indole-4,7-dione"	10610417	"CHEMBL307039; NSC732424; NSC-732424; 1-Methyl-5-(2-methyl-1-aziridinyl)-3-(hydroxymethyl)-1H-indole-4,7-dione; 23-(hydroxymethyl)-5-(2-methylaziridin-1-yl)-1-methylindole- 4,7-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732424	.	.	.	.	246.26	C13H14N2O3	62.3	446	0.2	18	1	4	2	"InChI=1S/C13H14N2O3/c1-7-4-15(7)9-3-10(17)12-11(13(9)18)8(6-16)5-14(12)2/h3,5,7,16H,4,6H2,1-2H3"	CC1CN1C2=CC(=O)C3=C(C2=O)C(=CN3C)CO	JOCMROYVEUOFBY-UHFFFAOYSA-N
DG64596	"1H-Phenalen-1-one, 2-hydroxy-3,6,9-trimethyl-4-(2-methyl-1-propenyl)-"	10637400	"Elisabatin B; DTXSID90442879; NSC734921; 1H-Phenalen-1-one, 2-hydroxy-3,6,9-trimethyl-4-(2-methyl-1-propenyl)-; NSC-734921; 237749-85-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734921	.	.	.	.	292.4	C20H20O2	37.3	538	5.3	22	1	2	1	"InChI=1S/C20H20O2/c1-10(2)8-14-9-12(4)15-7-6-11(3)16-18(15)17(14)13(5)19(21)20(16)22/h6-9,21H,1-5H3"	CC1=C2C3=C(C=C1)C(=CC(=C3C(=C(C2=O)O)C)C=C(C)C)C	QPEDAMHNYYMCLK-UHFFFAOYSA-N
DG64597	3-[2-Phenyl-4-(Pyridin-4-Yl)-1h-Imidazol-5-Yl]phenol	10638921	CHEMBL304624; 3-[2-Phenyl-4-(Pyridin-4-Yl)-1h-Imidazol-5-Yl]phenol; 4o7e; BDBM50077961; NSC756457; NSC-756457; NCGC00241934-01; AB01092415-01; Q27453213; 3-(2-phenyl-5-(pyridin-4-yl)-1H-imidazol-4-yl)phenol; 3-(2-Phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-phenol; 3-[2-Phenyl-5-(4-pyridyl)-1H-imidazole-4-yl]phenol; 2RN	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756457	.	.	.	.	313.4	C20H15N3O	61.8	392	3.6	24	2	3	3	"InChI=1S/C20H15N3O/c24-17-8-4-7-16(13-17)19-18(14-9-11-21-12-10-14)22-20(23-19)15-5-2-1-3-6-15/h1-13,24H,(H,22,23)"	C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC(=CC=C4)O	KPDQHNUZQHJLSJ-UHFFFAOYSA-N
DG64598	"(3E)-5-methoxy-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	10662822	NSC726901; NSC-726901	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726901	.	.	.	.	311.4	C16H13N3O2S	83.9	498	3.2	22	1	4	2	"InChI=1S/C16H13N3O2S/c1-9-14(19-5-6-22-16(19)17-9)8-12-11-7-10(21-2)3-4-13(11)18-15(12)20/h3-8H,1-2H3,(H,18,20)/b12-8+"	CC1=C(N2C=CSC2=N1)/C=C/3\\C4=C(C=CC(=C4)OC)NC3=O	MJQYBQSWXFHJAH-XYOKQWHBSA-N
DG64599	[(4-Methylphenyl)methyl](triphenyl)arsanium bromide	10672721	60430-80-0; ANTINEOPLASTIC-131513; DTXSID10443282; NSC131513; NSC-131513; [(4-Methylphenyl)methyl](triphenyl)arsanium bromide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131513	.	.	.	.	491.3	C26H24AsBr	0	372	.	28	0	1	5	"InChI=1S/C26H24As.BrH/c1-22-17-19-23(20-18-22)21-27(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1"	CC1=CC=C(C=C1)C[As+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]	BHDARVXTPHCSMI-UHFFFAOYSA-M
DG64600	"Phosphonium, bromide, (E)-"	10714966	"Phosphonium, bromide, (E)-; SCHEMBL3963166; CHEMBL1993585; NSC289922; NSC-289922; 28691-76-1; Triphenyl(prop-1-en-1-yl)phosphonium bromide; 7301-94-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	289922	.	.	.	.	383.3	C21H20BrP	0	295	.	23	0	1	4	"InChI=1S/C21H20P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-18H,1H3;1H/q+1;/p-1/b18-2+;"	C/C=C/[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]	DEQBDPCMPVARSX-QMUAEARGSA-M
DG64601	"(3E)-3-[(6-Methylimidazo[2,1-b]thiazol-5-yl)methylene]-1,3-dihydro-2H-indol-2-one"	10755270	"NSC726902; NSC-726902; (3E)-3-[(6-Methylimidazo[2,1-b]thiazol-5-yl)methylene]-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726902	.	.	.	.	281.3	C15H11N3OS	74.6	452	3.3	20	1	3	1	"InChI=1S/C15H11N3OS/c1-9-13(18-6-7-20-15(18)16-9)8-11-10-4-2-3-5-12(10)17-14(11)19/h2-8H,1H3,(H,17,19)/b11-8+"	CC1=C(N2C=CSC2=N1)/C=C/3\\C4=CC=CC=C4NC3=O	OKOBUJBJGIGFLK-DHZHZOJOSA-N
DG64602	"2,3-dihydroxy-brefeldin A"	10757635	"2,3-dihydroxy-brefeldin A; CHEMBL115219; NSC694610; NSC-694610; (1S,6S,10E,11aS,13S,14aR)-1,2,3,6,7,8,9,11a,12,13,14,14a-Dodecahydro-1,2,3,13-tetrahydroxy-6-methyl-4H-cyclopenta[f]oxacyclotridecin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694610	.	.	.	.	314.37	C16H26O6	107	409	0.5	22	4	6	0	"InChI=1S/C16H26O6/c1-9-5-3-2-4-6-10-7-11(17)8-12(10)13(18)14(19)15(20)16(21)22-9/h4,6,9-15,17-20H,2-3,5,7-8H2,1H3/b6-4+/t9-,10+,11-,12+,13-,14 ,15 /m0/s1"	C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](C(C(C(=O)O1)O)O)O)O	ZACUXJNBMSDSMR-LQZAQQFOSA-N
DG64603	"2-Imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol"	10775929	CHEMBL2430196; BDBM50441056; NSC732205; NSC-732205	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732205	.	.	.	.	232.26	C11H8N2O2S	86	266	2.8	16	2	4	1	"InChI=1S/C11H8N2O2S/c14-7-1-2-10(15)8(5-7)9-6-13-3-4-16-11(13)12-9/h1-6,14-15H"	C1=CC(=C(C=C1O)C2=CN3C=CSC3=N2)O	RNSZNZFGNZQNSJ-UHFFFAOYSA-N
DG64604	(3E)-3-[(2-chloro-5-methoxy-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one	10784359	NSC726893; NSC-726893	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726893	.	.	.	.	354.8	C19H15ClN2O3	63.4	555	3.9	25	2	3	3	"InChI=1S/C19H15ClN2O3/c1-24-10-3-5-16-12(7-10)14(18(20)21-16)9-15-13-8-11(25-2)4-6-17(13)22-19(15)23/h3-9,21H,1-2H3,(H,22,23)/b15-9+"	COC1=CC2=C(C=C1)NC(=C2/C=C/3\\C4=C(C=CC(=C4)OC)NC3=O)Cl	CXCRHKKZYFIBFO-OQLLNIDSSA-N
DG64605	NSC791871	10788645	"2beta-(3,4-Dimethoxyphenyl)-5-[(E)-2-(methoxycarbonyl)ethenyl]-7-methoxy-2,3-dihydrobenzofuran-3alpha-carboxylic acid methyl ester; CHEMBL152901; NSC791871; NSC-791871; 165817-31-2; 2beta-(3,4-Dimethoxyphenyl)-5-[(E)-2-(methoxycarbonyl)ethenyl]-7-methoxy-2,3-dihydrobenzofuran-3alpha-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791871	.	.	.	.	428.4	C23H24O8	89.5	650	3.2	31	0	8	9	"InChI=1S/C23H24O8/c1-26-16-8-7-14(12-17(16)27-2)21-20(23(25)30-5)15-10-13(6-9-19(24)29-4)11-18(28-3)22(15)31-21/h6-12,20-21H,1-5H3/b9-6+/t20-,21+/m1/s1"	COC1=C(C=C(C=C1)[C@H]2[C@@H](C3=C(O2)C(=CC(=C3)/C=C/C(=O)OC)OC)C(=O)OC)OC	PSIYZHFYCJVWJB-ULJFZEHQSA-N
DG64606	"(3E)-3-[[6-(2,5-Dimethoxyphenyl)imidazo[2,1-b]thiazol-5-yl]methylene]-5-methoxy-1,3-dihydro-2H-indol-2-one"	10812683	"NSC726897; NSC-726897; (3E)-3-[[6-(2,5-Dimethoxyphenyl)imidazo[2,1-b]thiazol-5-yl]methylene]-5-methoxy-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726897	.	.	.	.	433.5	C23H19N3O4S	102	706	4.4	31	1	6	5	"InChI=1S/C23H19N3O4S/c1-28-13-4-6-18-15(10-13)16(22(27)24-18)12-19-21(25-23-26(19)8-9-31-23)17-11-14(29-2)5-7-20(17)30-3/h4-12H,1-3H3,(H,24,27)/b16-12+"	COC1=CC\\2=C(C=C1)NC(=O)/C2=C/C3=C(N=C4N3C=CS4)C5=C(C=CC(=C5)OC)OC	GBJXMKYXAPJYSX-FOWTUZBSSA-N
DG64607	Uzbspdgymabpmi-uhfffaoysa-	10856274	"UZBSPDGYMABPMI-UHFFFAOYSA-; NSC727197; NSC-727197; 3-(pyridin-3-yl)6,1-c][1,2,4]oxadiazo le; 3-(3-Pyridyl)-3,4,5,6-tetrahydro-1,3a,6-triaza-2-oxapentalene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727197	.	.	.	.	190.2	C9H10N4O	49.8	255	-0.4	14	1	3	1	"InChI=1S/C9H10N4O/c1-2-7(6-10-3-1)8-13-5-4-11-9(13)12-14-8/h1-3,6,8H,4-5H2,(H,11,12)"	C1CN2C(ONC2=N1)C3=CN=CC=C3	UZBSPDGYMABPMI-UHFFFAOYSA-N
DG64608	"2,2-syn-3-[benzylseleno]brefeldin A"	10874069	"CHEMBL340922; NSC701556; 2,2-syn-3-[benzylseleno]brefeldin A; NSC-701556"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701556	.	.	.	.	451.5	C23H32O4Se	66.8	517	.	28	2	4	3	"InChI=1S/C23H32O4Se/c1-16-8-4-2-7-11-18-12-19(24)13-20(18)23(26)21(14-22(25)27-16)28-15-17-9-5-3-6-10-17/h3,5-7,9-11,16,18-21,23-24,26H,2,4,8,12-15H2,1H3/b11-7+/t16-,18+,19-,20+,21+,23-/m0/s1"	C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H]([C@@H](CC(=O)O1)[Se]CC3=CC=CC=C3)O)O	ZGBSHMOYPHIUMT-LHHYAPNZSA-N
DG64609	"4-(3,4,5-trihydroxyphenyl)-2(5H)-fur anone"	10881608	"NSC726247; NSC-726247; 4-(3,4,5-trihydroxyphenyl)-2(5H)-fur anone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726247	.	.	.	.	316.26	C16H12O7	127	491	1.3	23	5	7	2	"InChI=1S/C16H12O7/c17-10-2-1-7(3-11(10)18)9-6-23-16(22)14(9)8-4-12(19)15(21)13(20)5-8/h1-5,17-21H,6H2"	C1C(=C(C(=O)O1)C2=CC(=C(C(=C2)O)O)O)C3=CC(=C(C=C3)O)O	AEHZEVFSVXFCIV-UHFFFAOYSA-N
DG64610	5-Bromo-2-[(alphaZ)-5-nitrofurfurylidene]benzofuran-3(2H)-one	10893040	CHEMBL333498; NSC772271; NSC-772271; 5-Bromo-2-[(5-nitro-2-furyl)methylene]benzofuran-3(2H)-one; 5-Bromo-2-[(alphaZ)-5-nitrofurfurylidene]benzofuran-3(2H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772271	.	.	.	.	336.09	C13H6BrNO5	85.3	460	3.6	20	0	5	1	InChI=1S/C13H6BrNO5/c14-7-1-3-10-9(5-7)13(16)11(20-10)6-8-2-4-12(19-8)15(17)18/h1-6H/b11-6-	C1=CC2=C(C=C1Br)C(=O)/C(=C/C3=CC=C(O3)[N+](=O)[O-])/O2	OHDFDJFHYCARPR-WDZFZDKYSA-N
DG64611	"11-(4'-Bromobutylidene)-5,3-dimethoxy-6-methyl-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinoline"	10896187	"CHEMBL320263; SCHEMBL14349349; NSC720325; NSC-720325; 11-(4'-Bromobutylidene)-5,3-dimethoxy-6-methyl-8 ,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720325	.	.	.	.	484.3	C24H22BrNO5	57.2	782	3.8	31	0	5	5	"InChI=1S/C24H22BrNO5/c1-26-23-16-10-21-20(30-12-31-21)8-14(16)13(6-4-5-7-25)22(23)15-9-18(28-2)19(29-3)11-17(15)24(26)27/h6,8-11H,4-5,7,12H2,1-3H3/b13-6+"	CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)/C(=C/CCCBr)/C4=CC5=C(C=C42)OCO5	RSBWWFKWURUQER-AWNIVKPZSA-N
DG64612	"2,2-syn-3-[4'-chlorophenylseleno]brefeldin A"	10906804	"CHEMBL423147; NSC701557; NSC-701557; 2,2-syn-3-[4'-chlorophenylseleno]brefeldin A"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701557	.	.	.	.	471.9	C22H29ClO4Se	66.8	535	.	28	2	4	2	"InChI=1S/C22H29ClO4Se/c1-14-5-3-2-4-6-15-11-17(24)12-19(15)22(26)20(13-21(25)27-14)28-18-9-7-16(23)8-10-18/h4,6-10,14-15,17,19-20,22,24,26H,2-3,5,11-13H2,1H3/b6-4+/t14-,15+,17-,19+,20+,22-/m0/s1"	C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H]([C@@H](CC(=O)O1)[Se]C3=CC=C(C=C3)Cl)O)O	UENUIIRHVWNSPH-BAJBADSPSA-N
DG64613	"2,3-Dihydro-(3R)-(4'-methoxybenzylthio)brefeldin A"	10917077	"CHEMBL338229; NSC710071; NSC-710071; 2,3-Dihydro-(3R)-(4'-methoxybenzylthio)brefeldin A"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710071	.	.	.	.	434.6	C24H34O5S	101	560	3.8	30	2	6	4	"InChI=1S/C24H34O5S/c1-16-6-4-3-5-7-18-12-19(25)13-21(18)24(27)22(14-23(26)29-16)30-15-17-8-10-20(28-2)11-9-17/h5,7-11,16,18-19,21-22,24-25,27H,3-4,6,12-15H2,1-2H3/b7-5+/t16-,18+,19-,21+,22+,24-/m0/s1"	C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H]([C@@H](CC(=O)O1)SCC3=CC=C(C=C3)OC)O)O	ZRNAFRGYJDHEFT-DADGVEKRSA-N
DG64614	NSC725734	10918644	"4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[4-[4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]butyl]-1H-1,2,4-triazole-5-thione; NSC725734; NSC-725734"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725734	.	.	.	.	548.7	C26H32N10S2	151	868	3.8	38	2	8	11	"InChI=1S/C26H32N10S2/c1-33(2)21-13-9-19(10-14-21)17-27-35-23(29-31-25(35)37)7-5-6-8-24-30-32-26(38)36(24)28-18-20-11-15-22(16-12-20)34(3)4/h9-18H,5-8H2,1-4H3,(H,31,37)(H,32,38)/b27-17+,28-18+"	CN(C1=CC=C(C=C1)/C=N/N2C(=S)NN=C2CCCCC3=NNC(=S)N3/N=C/C4=CC=C(C=C4)N(C)C)C	AXKUKUQECKEOHZ-XUIWWLCJSA-N
DG64615	"4-Amino-6H-pyrido[2,3,4-kl]acridine-6-one"	10944751	"NSC706992; NSC-706992; 4-Amino-6H-pyrido[2,3,4-kl]acridine-6-one; 6H-Pyrido[2,3,4-kl]acridin-6-one, 4-amino-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706992	.	.	.	.	247.25	C15H9N3O	68.9	433	1.8	19	1	4	0	"InChI=1S/C15H9N3O/c16-10-7-12(19)15-13-9(5-6-17-14(10)13)8-3-1-2-4-11(8)18-15/h1-7H,16H2"	C1=CC=C2C(=C1)C3=C4C(=NC=C3)C(=CC(=O)C4=N2)N	PIBOVIRTUIQUCT-UHFFFAOYSA-N
DG64616	"3-(1,3-Benzodioxole-5-yl)-2-(2-pyridyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole"	10946675	"CHEMBL268889; SB-400868-A; SCHEMBL373378; BDBM50110206; NSC756449; ZINC13472530; NSC-756449; NCGC00241932-01; AB01092256-01; 3-(1,3-Benzodioxole-5-yl)-2-(2-pyridyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole; 3-(benzo[d][1,3]dioxol-5-yl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole; 3-Benzo[1,3]dioxol-5-yl-2-pyridin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756449	.	.	.	.	305.3	C18H15N3O2	49.2	435	2.5	23	0	4	2	"InChI=1S/C18H15N3O2/c1-2-8-19-13(4-1)17-18(21-9-3-5-16(21)20-17)12-6-7-14-15(10-12)23-11-22-14/h1-2,4,6-8,10H,3,5,9,11H2"	C1CC2=NC(=C(N2C1)C3=CC4=C(C=C3)OCO4)C5=CC=CC=N5	MUYFXUIFVHSJSW-UHFFFAOYSA-N
DG64617	"2,2-syn-3-[methylseleno]brefeldin A"	10970813	"CHEMBL128947; NSC701755; 2,2-syn-3-[methylseleno]brefeldin A; NSC-701755"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701755	.	.	.	.	375.4	C17H28O4Se	66.8	398	.	22	2	4	1	"InChI=1S/C17H28O4Se/c1-11-6-4-3-5-7-12-8-13(18)9-14(12)17(20)15(22-2)10-16(19)21-11/h5,7,11-15,17-18,20H,3-4,6,8-10H2,1-2H3/b7-5+/t11-,12+,13-,14+,15+,17-/m0/s1"	C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H]([C@@H](CC(=O)O1)[Se]C)O)O	CCNATFPAWRYEPF-OFOOJMDESA-N
DG64618	"[3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)naphthalen-2-yl] benzoate"	10981661	NSC729056; NSC-729056	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729056	.	.	.	.	375.4	C21H17N3O2S	86	602	4.7	27	1	4	5	"InChI=1S/C21H17N3O2S/c1-2-24-19(22-23-21(24)27)17-12-15-10-6-7-11-16(15)13-18(17)26-20(25)14-8-4-3-5-9-14/h3-13H,2H2,1H3,(H,23,27)"	CCN1C(=NNC1=S)C2=CC3=CC=CC=C3C=C2OC(=O)C4=CC=CC=C4	MNNWUVXUCMICDW-UHFFFAOYSA-N
DG64619	"2,2-syn-3-[phenylseleno]brefeldin A"	10982991	"CHEMBL129397; NSC701555; 2,2-syn-3-[phenylseleno]brefeldin A; NSC-701555"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701555	.	.	.	.	437.4	C22H30O4Se	66.8	503	.	27	2	4	2	"InChI=1S/C22H30O4Se/c1-15-8-4-2-5-9-16-12-17(23)13-19(16)22(25)20(14-21(24)26-15)27-18-10-6-3-7-11-18/h3,5-7,9-11,15-17,19-20,22-23,25H,2,4,8,12-14H2,1H3/b9-5+/t15-,16+,17-,19+,20+,22-/m0/s1"	C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H]([C@@H](CC(=O)O1)[Se]C3=CC=CC=C3)O)O	LPADNYFBEMZNNM-LJJFVIJXSA-N
DG64620	Qycyijpgpxswmm-uhfffaoysa-	10987186	"QYCYIJPGPXSWMM-UHFFFAOYSA-; NSC727192; NSC-727192; 3,3-(3-Methyl-3-azapentane-1,5-diyl)-3,4,5,6-tetrahydro-1,3a,6-triaza-2-oxapentalene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727192	.	.	.	.	196.25	C9H16N4O	40.1	270	-0.4	14	1	3	0	"InChI=1S/C9H16N4O/c1-12-5-2-9(3-6-12)13-7-4-10-8(13)11-14-9/h2-7H2,1H3,(H,10,11)"	CN1CCC2(CC1)N3CCN=C3NO2	QYCYIJPGPXSWMM-UHFFFAOYSA-N
DG64621	4-(6-Chloroquinoxalin-2-yloxy)phenol	10989408	"76578-79-5; 4-(6-CHLOROQUINOXALIN-2-YLOXY)PHENOL; 4-(6-chloroquinoxalin-2-yl)oxyphenol; Phenol, 4-[(6-chloro-2-quinoxalinyl)oxy]-; 4-((6-Chloroquinoxalin-2-yl)oxy)phenol; 4-[(6-Chloroquinoxalin-2-yl)oxy]phenol; 6-CHLORO-2-[(4-HYDROXYPHENYL)OXY]QUINOXALINE; 4-[(6-chloro-2-quinoxalinyl)oxy]Phenol; SCHEMBL6238201; DTXSID50451008; NSC752339; ZINC40448822; 4-(6-Chloro-2-quinoxalinyloxy)phenol; NSC-752339; 2-(4-hydroxyphenoxy)-6-chloroquinoxaline; AS-62541; DB-075149; FT-0647384; D93236; 578C795"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752339	.	.	.	.	272.68	C14H9ClN2O2	55.2	297	3.3	19	1	4	2	"InChI=1S/C14H9ClN2O2/c15-9-1-6-12-13(7-9)16-8-14(17-12)19-11-4-2-10(18)3-5-11/h1-8,18H"	C1=CC(=CC=C1O)OC2=CN=C3C=C(C=CC3=N2)Cl	UVYFSLAJRJHGJB-UHFFFAOYSA-N
DG64622	12-Nitrocamptothecin	11014705	"12-nitrocamptothecin; SCHEMBL707716; 12NC; CHEMBL306181; 12-Nitro-20(S)-camptothecin; NSC603072; NSC-603072; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 4-ethyl-4-hydroxy-7-nitro-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603072	.	.	.	.	393.3	C20H15N3O6	126	861	0.8	29	1	7	1	"InChI=1S/C20H15N3O6/c1-2-20(26)13-7-15-17-11(8-22(15)18(24)12(13)9-29-19(20)25)6-10-4-3-5-14(23(27)28)16(10)21-17/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C(=C4)C=CC=C5[N+](=O)[O-])O	XQHHKVBMHNTWSH-FQEVSTJZSA-N
DG64623	NSC737077	11015858	"(2S,2aR,3R,5aR,6R,9S,9aS,9bS,12R,13R)-Decahydro-13-hydroxy-12-methoxy-3,6,9,13-tetramethyl-7-oxo-2,9-pentano-2H-furo[2,3,4-ef][3]benzoxepin-3-ylbutanoate; NSC737077; NSC-737077; (2S,2aR,3R,5aR,6R,9S,9aS,9bS,12R,13R)-Decahydro-13-hydroxy-12-methoxy-3,6,9,13-tetramethyl-7-oxo-2,9-pentano-2H-furo[2,3,4-ef][3]benzoxepin-3-ylbutanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737077	.	.	.	.	452.6	C25H40O7	91.3	755	3	32	1	7	5	"InChI=1S/C25H40O7/c1-7-8-18(26)31-24(4)11-9-15-14(2)22(27)32-25(5)12-10-17(29-6)23(3,28)13-16-20(24)19(15)21(25)30-16/h14-17,19-21,28H,7-13H2,1-6H3/t14-,15+,16+,17-,19+,20+,21+,23-,24-,25+/m1/s1"	CCCC(=O)O[C@@]1(CC[C@H]2[C@H](C(=O)O[C@]3(CC[C@H]([C@](C[C@H]4[C@H]1[C@H]2[C@@H]3O4)(C)O)OC)C)C)C	IPJWOGNRRLDDDL-QMPJCHAXSA-N
DG64624	"2,3-Dihydro-(3R)-[2-(diethylphosphono)ethylseleno]brefeldin A"	11016831	"CHEMBL129746; NSC704066; NSC-704066; 2,3-Dihydro-(3R)-[2-(diethylphosphono)ethylseleno]brefeldin A"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704066	.	.	.	.	525.5	C22H39O7PSe	102	619	.	31	2	7	8	"InChI=1S/C22H39O7PSe/c1-4-27-30(26,28-5-2)11-12-31-20-15-21(24)29-16(3)9-7-6-8-10-17-13-18(23)14-19(17)22(20)25/h8,10,16-20,22-23,25H,4-7,9,11-15H2,1-3H3/b10-8+/t16-,17+,18-,19+,20+,22-/m0/s1"	CCOP(=O)(CC[Se][C@@H]1CC(=O)O[C@H](CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H]1O)O)C)OCC	SVODLVHGASURPP-UGIPEQGYSA-N
DG64625	NSC737078	11037490	"(2S,2aR,3R,5aR,6R,9S,9aS,9bS,12R)-Decahydro-12-hydroperoxy-3,6,9-trimethyl-13-methylene-7-oxo-2,9-pentano-2H-furo[2,3,4-ef][3]benzoxepin-3-ylbutanoate; NSC737078; NSC-737078; (2S,2aR,3R,5aR,6R,9S,9aS,9bS,12R)-Decahydro-12-hydroperoxy-3,6,9-trimethyl-13-methylene-7-oxo-2,9-pentano-2H-furo[2,3,4-ef][3]benzoxepin-3-ylbutanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737078	.	.	.	.	436.5	C24H36O7	91.3	750	3	31	1	7	5	"InChI=1S/C24H36O7/c1-6-7-18(25)29-23(4)10-8-15-14(3)22(26)30-24(5)11-9-16(31-27)13(2)12-17-20(23)19(15)21(24)28-17/h14-17,19-21,27H,2,6-12H2,1,3-5H3/t14-,15+,16-,17+,19+,20+,21+,23-,24+/m1/s1"	CCCC(=O)O[C@@]1(CC[C@H]2[C@H](C(=O)O[C@]3(CC[C@H](C(=C)C[C@H]4[C@H]1[C@H]2[C@@H]3O4)OO)C)C)C	MRBZRDGTPZIYOC-IUROXWAKSA-N
DG64626	"3-(3-Chlorophenyl)-1-(2,4-dichlorophenyl)-2-propen-1-one"	11045166	"3-(3-CHLOROPHENYL)-1-(2,4-DICHLOROPHENYL)- 2-PROPEN-1-ONE; ZINC6888811; MFCD04585896; NSC729972; NSC-729972; (2E)-3-(3-Chlorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one; 1444957-46-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729972	.	.	.	.	311.6	C15H9Cl3O	17.1	342	5.6	19	0	1	3	InChI=1S/C15H9Cl3O/c16-11-3-1-2-10(8-11)4-7-15(19)13-6-5-12(17)9-14(13)18/h1-9H/b7-4+	C1=CC(=CC(=C1)Cl)/C=C/C(=O)C2=C(C=C(C=C2)Cl)Cl	SKCBOPNZFPCHRQ-QPJJXVBHSA-N
DG64627	Combretastatin A4-analogue	11069089	Combretastatin A4-analogue; NSC726217; NSC-726217	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726217	.	.	.	.	386.4	C21H22O7	72.4	561	2.9	28	0	7	7	"InChI=1S/C21H22O7/c1-23-15-7-6-12(8-16(15)24-2)14-11-28-21(22)19(14)13-9-17(25-3)20(27-5)18(10-13)26-4/h6-10H,11H2,1-5H3"	COC1=C(C=C(C=C1)C2=C(C(=O)OC2)C3=CC(=C(C(=C3)OC)OC)OC)OC	XPOAHAZAFIXEFR-UHFFFAOYSA-N
DG64628	"2-Methyl-3-(phenyltelluro)-1,4-naphthoquinone"	11090122	"SCHEMBL6681616; CHEMBL1256130; NSC748878; NSC-748878; 2-Methyl-3-(phenyltelluro)-1,4-naphthoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748878	.	.	.	.	375.9	C17H12O2Te	34.1	446	.	20	0	2	2	"InChI=1S/C17H12O2Te/c1-11-15(18)13-9-5-6-10-14(13)16(19)17(11)20-12-7-3-2-4-8-12/h2-10H,1H3"	CC1=C(C(=O)C2=CC=CC=C2C1=O)[Te]C3=CC=CC=C3	BKVMNWGUHUWTBP-UHFFFAOYSA-N
DG64629	2-(Nitromethyl)cyclohept-2-en-1-one	11095045	113526-10-6; 2-(nitromethyl)cyclohept-2-en-1-one; DTXSID70454955; NSC742884; 2-(Nitromethyl)-2-cyclohepten-1-one; NSC-742884	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742884	.	.	.	.	169.18	C8H11NO3	62.9	227	1.2	12	0	3	1	"InChI=1S/C8H11NO3/c10-8-5-3-1-2-4-7(8)6-9(11)12/h4H,1-3,5-6H2"	C1CCC(=O)C(=CC1)C[N+](=O)[O-]	QKCZSBAMWCUNSI-UHFFFAOYSA-N
DG64630	Dumijwxaoiemim-uhfffaoysa-	11106127	"DUMIJWXAOIEMIM-UHFFFAOYSA-; NSC727194; NSC-727194; 3-phenyl-6,1-c][1,2,4]oxadiazole; 3-Phenyl-3,4,5,6-tetrahydro-1,3a,6-triaza-2-oxapentalene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727194	.	.	.	.	189.21	C10H11N3O	36.9	248	0.7	14	1	2	1	"InChI=1S/C10H11N3O/c1-2-4-8(5-3-1)9-13-7-6-11-10(13)12-14-9/h1-5,9H,6-7H2,(H,11,12)"	C1CN2C(ONC2=N1)C3=CC=CC=C3	DUMIJWXAOIEMIM-UHFFFAOYSA-N
DG64631	Phenyl(prop-1-ynyl)iodanium;trifluoromethanesulfonate	11111958	CHEMBL3350642; NSC646703; NSC-646703; phenyl(prop-1-ynyl)iodanium;trifluoromethanesulfonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646703	.	.	.	.	392.14	C10H8F3IO3S	65.6	287	.	18	0	6	2	"InChI=1S/C9H8I.CHF3O3S/c1-2-8-10-9-6-4-3-5-7-9;2-1(3,4)8(5,6)7/h3-7H,1H3;(H,5,6,7)/q+1;/p-1"	CC#C[I+]C1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-]	CTCCFJOOGLASKQ-UHFFFAOYSA-M
DG64632	1-[(2-Imidazoline-2-yloxy)amino]-4-methylcyclohexane-1-carbonitrile	11148771	"NSC730735; NSC-730735; 1-[(2-Imidazoline-2-yloxy)amino]-4-methylcyclohexane-1-carbonitrile; 1-[(4,5-Dihydro-1H-imidazol-2-yloxy)amino]-4-methylcyclohexa necarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730735	.	.	.	.	222.29	C11H18N4O	69.4	322	1	16	2	4	3	"InChI=1S/C11H18N4O/c1-9-2-4-11(8-12,5-3-9)15-16-10-13-6-7-14-10/h9,15H,2-7H2,1H3,(H,13,14)"	CC1CCC(CC1)(C#N)NOC2=NCCN2	APILMGJQVBNJPB-UHFFFAOYSA-N
DG64633	(S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide	11152667	"AZD7762; 860352-01-8; AZD-7762; (S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide; AZD 7762; UNII-5D822Y3L1H; 3-(Carbamoylamino)-5-(3-Fluorophenyl)-N-[(3s)-Piperidin-3-Yl]thiophene-2-Carboxamide; 860352-01-8 (free base); CHEMBL2041933; 5D822Y3L1H; AZD7762 hydrochloride; 5-(3-Fluorophenyl)-N-[(3s)-3-Piperidyl]-3-Ureido-Thiophene-2-Carboxamide; YDJ; GTPL7713; SCHEMBL1127614; AOB1915; QCR-261; CHEBI:131156; BCPP000366; EX-A1548; WZB09478; BDBM50389803; NSC757148; NSC799350; s1532; ZINC33359230; AKOS005266646; BCP9000356; CCG-264907; CS-0025; DB12242; NSC-757148; NSC-799350; NCGC00242481-01; NCGC00242481-02; NCGC00242481-03; NCGC00242481-08; AC-24499; AS-16691; HY-10992; SW218139-2; C76784; J-502468; Q27074790; 2-Thiophenecarboxamide, 3-((aminocarbonyl)amino)-5-(3-fluorophenyl)-N-(3S)-3-piperidinyl-; 5-(3-Fluoro-phenyl)-3-ureido-thiophene-2-carboxylic acid (S)-Piperidin-3-ylamide; 1019773-80-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757148	.	.	.	.	362.4	C17H19FN4O2S	125	495	2.3	25	4	5	4	"InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1"	C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N	IAYGCINLNONXHY-LBPRGKRZSA-N
DG64634	"(Z)-[5-(4-carboxy-N-methylanilino)-2,4-dinitrophenoxy]imino-(dimethylamino)-oxidoazanium"	11154356	NSC731703; NSC-731703	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731703	.	.	.	.	420.33	C16H16N6O8	186	670	3.2	30	1	11	6	"InChI=1S/C16H16N6O8/c1-18(2)22(29)17-30-15-9-12(13(20(25)26)8-14(15)21(27)28)19(3)11-6-4-10(5-7-11)16(23)24/h4-9H,1-3H3,(H,23,24)/b22-17-"	CN(C)/[N+](=N/OC1=C(C=C(C(=C1)N(C)C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-])/[O-]	MRCBZTBFHKYOKS-XLNRJJMWSA-N
DG64635	Brivanib alaninate	11154925	"Brivanib alaninate; 649735-63-7; BMS-582664; Brivanib alaninate (BMS-582664); BMS582664; BMS 582664; Brivanib (alaninate); UNII-U2Y5OFN795; U2Y5OFN795; (2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-yl (2S)-2-aminopropanoate; [(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] (2S)-2-aminopropanoate; brivanib alinate; Brivanib alaninate [USAN:INN]; Brivanib-alaninate; alaninati brivanibum; alaninate de brivanib; alaninato de brivanib; Brivanib l-alanine ester; SCHEMBL483382; CHEMBL270995; GTPL8097; Brivanib alaninateBMS-582664; DTXSID20215295; EX-A012; SYN1135; Brivanib alaninate,BMS-582664; CHEBI:167656; AMY31934; BCP01783; Brivanib alaninate (JAN/USAN/INN); Brivanib alaninate - BMS-582664; NSC764481; NSC799369; s1138; ZINC29134440; AKOS025401744; CCG-269138; CS-0159; DB11865; NSC-764481; NSC-799369; NCGC00386131-01; AC-25066; AS-16274; HY-10336; L-Alanine, (1R)-2-((4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-5-methylpyrrolo(2,1-f)(1,2,4)triazin-6-yl)oxy)-1-methylethyl ester; BMS-582664-02; A2633; SW219897-1; A20636; D08878; J-519933; Q4971701; (1R)-2-((4-((4-Fluoro-2-methyl-1H-indol-5-yl)oxy)-5-methylpyrrolo(2,1- f)(1,2,4)triazin-6-yl)oxy)-1-methylethyl (2S)-2-aminopropanoate; (1R,2S)-2-aminopropionic acid 2-[4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy]-1-methylethyl ester; (2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-yl L-alaninate; (S)-((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-yloxy)propan-2-yl) 2-aminopropanoate; [(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[5,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] (2S)-2-aminopropanoate; L-Alanine, (1R)-2-((4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-5- methylpyrrolo(2,1-f)(1,2,4)triazin-6-yl)oxy)-1-methylethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764481	.	.	.	.	441.5	C22H24FN5O4	117	660	3.1	32	2	8	8	"InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14+/m1/s1"	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)OC(=O)[C@H](C)N)C	LTEJRLHKIYCEOX-OCCSQVGLSA-N
DG64636	1-phenyl-5-(4-(trifluoromethyl)phenyl)-1H-imidazole	11162021	1-phenyl-5-(4-(trifluoromethyl)phenyl)-1H-imidazole; 1-Phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazole; NSC734604; NSC-734604	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734604	.	.	.	.	288.27	C16H11F3N2	17.8	331	4.2	21	0	4	2	"InChI=1S/C16H11F3N2/c17-16(18,19)13-8-6-12(7-9-13)15-10-20-11-21(15)14-4-2-1-3-5-14/h1-11H"	C1=CC=C(C=C1)N2C=NC=C2C3=CC=C(C=C3)C(F)(F)F	YKXFNILFIUDROS-UHFFFAOYSA-N
DG64637	"N-(3,5-dimethoxyphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine"	11163861	GW801372X; CHEMBL359999; SCHEMBL4472952; HMS3303F11; HMS3305N23; BDBM50506295; NSC756362; GW-801372X; NSC-756362; NCGC00242035-01; AB01092287-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756362	.	.	.	.	348.4	C18H16N6O2	86.5	443	2.4	26	1	7	5	"InChI=1S/C18H16N6O2/c1-25-13-8-12(9-14(10-13)26-2)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)"	COC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=C4C=CC=NN4N=C3)OC	XSJMSGALWUODPK-UHFFFAOYSA-N
DG64638	"8,3-methylenedioxy-11H-indeno[1,2-c]isoquinoli ne hydrochloride"	11164186	"CHEMBL427345; SCHEMBL2974418; NSC729475; NSC-729475; 8,3-methylenedioxy-11H-indeno[1,2-c]isoquinoli ne hydrochloride; 8,9-Dimethoxy-2,3-methylenedioxy-11H-indeno [1,2-c]isoquinoline hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729475	.	.	.	.	357.8	C19H16ClNO4	49.8	474	.	25	1	5	2	"InChI=1S/C19H15NO4.ClH/c1-21-15-4-10-3-14-12-6-18-17(23-9-24-18)5-11(12)8-20-19(14)13(10)7-16(15)22-2;/h4-8H,3,9H2,1-2H3;1H"	COC1=C(C=C2C(=C1)CC3=C2N=CC4=CC5=C(C=C34)OCO5)OC.Cl	GVWYMPHKICKPKH-UHFFFAOYSA-N
DG64639	"5,11-dioxo-11H-indeno[1,2-c]isoquinoline Trifluoroacetate."	11167068	"CHEMBL359585; NSC728854; NSC-728854; 5,11-dioxo-11H-indeno[ 1,2-c]isoquinoline Trifluoroacetate."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728854	.	.	.	.	460.4	C22H19F3N4O4	139	748	.	33	3	8	4	"InChI=1S/C20H18N4O2.C2HF3O2/c21-20(22)23-10-5-11-24-17-13-7-2-3-8-14(13)18(25)16(17)12-6-1-4-9-15(12)19(24)26;3-2(4,5)1(6)7/h1-4,6-9H,5,10-11H2,(H4,21,22,23);(H,6,7)"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN=C(N)N.C(=O)(C(F)(F)F)O	MECYMJPEQHSCNZ-UHFFFAOYSA-N
DG64640	"2-Benzylthio-4-chloro-5-cyano-N-(5,2,4-triazin-3-yl)benzenesulfonamide"	11169080	"NSC731388; NSC-731388; 2-Benzylthio-4-chloro-5-cyano-N-(5,2,4-triazin- 3-yl)benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731388	.	.	.	.	570.1	C29H20ClN5O2S2	142	922	5.7	39	1	8	8	"InChI=1S/C29H20ClN5O2S2/c30-24-17-25(38-19-20-10-4-1-5-11-20)26(16-23(24)18-31)39(36,37)35-29-32-27(21-12-6-2-7-13-21)28(33-34-29)22-14-8-3-9-15-22/h1-17H,19H2,(H,32,34,35)"	C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C#N)S(=O)(=O)NC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5	JOGZMFNOCOVZOI-UHFFFAOYSA-N
DG64641	Trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)amide	11181836	"460092-03-9; Trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)amide; Trihexyl(tetradecyl)phosphonium bis(trifluoromethanesulfonyl)amide; Trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)imide; bis(trifluoromethylsulfonyl)azanide;trihexyl(tetradecyl)phosphanium; TRIHEXYL(TETRADECYL)PHOSPHONIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE; MFCD04117695; DSSTox_CID_29160; DSSTox_RID_83379; DSSTox_GSID_49304; SCHEMBL451878; CHEMBL3183021; DTXSID1049304; Tox21_202614; NSC747251; AKOS015913634; AT25631; NSC 747251; NSC-747251; NCGC00260162-01; CAS-460092-03-9; Trihexyl(tetradecyl)Phosphonium Bis (Trifluoromethylsulfonylmide); TRIHEXYL(TETRADECYL)PHOSPHONIUM BIS((TRIFLUOROMETHYL)SULFONYL)AMIDE; Trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)amide, >=95.0%; Phosphonium, trihexyltetradecyl-, salt with 1,1,1-trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747251	.	.	.	.	764	C34H68F6NO4PS2	86	693	.	48	0	11	30	"InChI=1S/C32H68P.C2F6NO4S2/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-32H2,1-4H3;/q+1;-1"	CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F	HYNYWFRJHNNLJA-UHFFFAOYSA-N
DG64642	"1,3-Trimethoxy-7,8-methylenedioxy-11H-indeno[1,2-c]isoquin oline Hydrychloride"	11188373	"CHEMBL187464; NSC730921; NSC-730921; 1,3-Trimethoxy-7,8-methylenedioxy-11H-indeno[1,2-c]isoquin oline Hydrychloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730921	.	.	.	.	387.8	C20H18ClNO5	59	518	.	27	1	6	3	"InChI=1S/C20H17NO5.ClH/c1-22-17-7-12-13-4-10-5-15-16(26-9-25-15)6-11(10)18(13)21-8-14(12)19(23-2)20(17)24-3;/h5-8H,4,9H2,1-3H3;1H"	COC1=C(C(=C2C=NC3=C(C2=C1)CC4=CC5=C(C=C43)OCO5)OC)OC.Cl	BSHLVRXBSUNJCD-UHFFFAOYSA-N
DG64643	"N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]aniline"	11198142	NSC726270; NSC-726270	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726270	.	.	.	.	325.4	C16H12FN5S	83.4	387	3.5	23	1	6	4	"InChI=1S/C16H12FN5S/c17-12-8-6-11(7-9-12)15-21-22-14(19-20-16(22)23-15)10-18-13-4-2-1-3-5-13/h1-9,18H,10H2"	C1=CC=C(C=C1)NCC2=NN=C3N2N=C(S3)C4=CC=C(C=C4)F	XGHBFUDGNDUSIQ-UHFFFAOYSA-N
DG64645	"6-(5-fluoro-2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-ylamino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one"	11213558	"841290-80-0; R-406; R406 (free base); tamatinib; R406 free base; 6-(5-fluoro-2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-ylamino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one; Tamatinib free base; 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one; R 406; UNII-RC3A285J2G; CHEMBL475251; RC3A285J2G; 6-({5-Fluoro-2-[(3,4,5-Trimethoxyphenyl)amino]pyrimidin-4-Yl}amino)-2,2-Dimethyl-2h-Pyrido[3,2-B][1,4]oxazin-3(4h)-One; 841290-80-0 (free base); 6-((5-fluoro-2-((3,4,5-trimethoxyphenyl)amino)pyrimidin-4-yl)amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one; R406(free base); C22H23FN6O5; BDBM50249542; 6-(5-fluoro-2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-ylamino)-2,2-dimethyl-2H-pyrido[3,2-b]; 6-[5-FLUORO-2-(3,4,5-TRIMETHOXY-PHENYLAMINO)-PYRIMIDIN-4-YLAMINO]-2,2-DIMETHYL-4H-PYRIDO[3,2-B][1,4]OXAZIN-3-ONE; 3fqs; 3piy; 6-(5-Fluoro-2-(3,4,5-trimethoxy-phenylamino)-pyrimidin-4-ylamino)-2,2-dimethyl-4H-pyrido(3,2-b)(1,4)oxazin-3-one; Kinome_1211; 6-(5-fluoro-2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-ylamino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one benzenesulfonate; QCR-9; MLS006011151; C28H29FN6O8S; GTPL5706; SCHEMBL1200144; BDBM60665; CHEBI:91348; AMY9174; DTXSID30458939; EX-A103; SYN1121; BCPP000094; HMS3265G15; HMS3265G16; HMS3265H15; HMS3265H16; HMS3654F22; AOB87473; BCP01933; ZINC6745792; MFCD09970820; NSC772498; NSC800858; s1533; AKOS015951111; R406 (freebase) - Adooq Bioscience; CCG-264908; CS-0436; DB07159; NSC-772498; NSC-800858; PB13129; SB16611; NCGC00182051-02; NCGC00182051-03; NCGC00182051-12; NCGC00182051-18; 6-((5-fluoro-2-((3,4,5-trimethoxyphenyl)amino)-4-pyrimidinyl)amino)-2,2-dimethyl-2h-pyrido(3,2-b)-1,4-oxazin-3(4h)-one; 6-[5-Fluoro-2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-ylamino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one; 6-{[5-Fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino}-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one; AC-32820; AS-16262; HY-11108; SMR004702925; FT-0650726; SW219254-1; US9145414, R406; X7372; X7500; R940406; J-517971; BRD-K20285085-001-01-4; Q27088935; 2H-Pyrido(3,2-b)-1,4-oxazin-3(4H)-one, 6-((5-fluoro-2-((3,4,5-trimethoxyphenyl)amino)-4-pyrimidinyl)amino)-2,2-dimethyl-; 2H-PYRIDO[3,2-B]-1,4-OXAZIN-3(4H)-ONE,6-[[5-FLUORO-2-[(3,4,5-TRIMETHOXPHENYL)AMINO]-4-PYRIMIDINYL]AMINO]-2,2-DIMETHYL; 6-[[5-Fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-2H-pyrido[3,2-b]-1,4-oxazine-3(4H)-one; 6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[2,3-e][1,4]oxazin-3-one; 6-[5-Fluoro-2-(3,4,5-trimethoxy-phenylamino)-pyrimidin-4-ylamino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-(5-fluoro-2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-ylamino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one;6-[[5-Fluoro-2-[(3,4,5-trim; 6-5-Fluoro-2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-ylamino-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800858	.	.	.	.	470.5	C22H23FN6O5	129	691	3.1	34	3	11	7	"InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)"	CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)C	NHHQJBCNYHBUSI-UHFFFAOYSA-N
DG64646	NSC729352	11215802	"2,3-Dimethoxy-6-[3-[(9H-fluorene-9-ylmethoxycarbonyl)amino]propyl]-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline-5,11(6H)-dione; NSC729352; NSC-729352; 2,3-Dimethoxy-6-[3-[(9H-fluorene-9-ylmethoxycarbonyl)amino]propyl]-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline-5,11(6H)-dione; 2,6-dihydro-5,11-diketo-6-(9H-fluoren-9-yl-met hoxy-carboxyamino)-propyl-8,9-methylenedioxy-11H-ideno[1,2-c ]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729352	.	.	.	.	630.6	C37H30N2O8	113	1230	5.3	47	1	8	9	"InChI=1S/C37H30N2O8/c1-43-29-14-24-27(17-30(29)44-2)36(41)39(34-25-15-31-32(47-19-46-31)16-26(25)35(40)33(24)34)13-7-12-38-37(42)45-18-28-22-10-5-3-8-20(22)21-9-4-6-11-23(21)28/h3-6,8-11,14-17,28H,7,12-13,18-19H2,1-2H3,(H,38,42)"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68)OC	HGIMQZBKEQOVBC-UHFFFAOYSA-N
DG64647	NSC740028	11222845	"(1S,2E,5S,8E,10Z,14E,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraene-5-carbaldehyde; CHEMBL4288175; NSC740028; NSC-740028"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740028	.	.	.	.	384.5	C23H28O5	69.7	738	2.7	28	0	5	1	"InChI=1S/C23H28O5/c1-16-6-4-9-23(26)28-22(15-24)14-18(3)13-21-12-17(2)11-20(27-21)8-5-7-19(25)10-16/h4-7,9,13,15,20-22H,2,8,10-12,14H2,1,3H3/b7-5+,9-4+,16-6-,18-13+/t20-,21-,22-/m0/s1"	C/C/1=C\\[C@@H]2CC(=C)C[C@@H](O2)C/C=C/C(=O)C/C(=C\\C=C\\C(=O)O[C@@H](C1)C=O)/C	JSRXONXXGPZPDD-WVXVWMMWSA-N
DG64648	1-(2-Benzylthio-4-chloro-5-phenylcarbamoylbenzenesulfonyl)-3-(2-oxobutane-3-ylideneimino)guanidine	11226727	NSC728509; NSC-728509; 1-(2-Benzylthio-4-chloro-5-phenylcarbamoylbenzenesulfonyl)-3 -(2-oxobutane-3-ylideneimino)guanidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728509	.	.	.	.	558.1	C25H24ClN5O4S2	177	957	4.2	37	3	7	10	"InChI=1S/C25H24ClN5O4S2/c1-16(17(2)32)29-30-25(27)31-37(34,35)23-13-20(24(33)28-19-11-7-4-8-12-19)21(26)14-22(23)36-15-18-9-5-3-6-10-18/h3-14H,15H2,1-2H3,(H,28,33)(H3,27,30,31)/b29-16+"	C/C(=N\\N/C(=N\\S(=O)(=O)C1=C(C=C(C(=C1)C(=O)NC2=CC=CC=C2)Cl)SCC3=CC=CC=C3)/N)/C(=O)C	RMOCNWKVNQLRGE-MUFRIFMGSA-N
DG64649	Abt-737	11228183	"ABT-737; 852808-04-9; ABT 737; ABT737; UNII-Z5NFR173NV; 4-[4-[(4'-Chloro[1,1'-biphenyl]-2-yl)methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl]benzamide; Z5NFR173NV; CHEMBL376408; (R)-4-(4-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((4-((4-(dimethylamino)-1-(phenylthio)butan-2-yl)amino)-3-nitrophenyl)sulfonyl)benzamide; 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide; C42H45ClN6O5S2; 4-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide; 4-{4-[(4'-Chlorobiphenyl-2-Yl)methyl]piperazin-1-Yl}-N-{[4-({(1r)-3-(Dimethylamino)-1-[(Phenylthio)methyl]propyl}amino)-3-Nitrophenyl]sulfonyl}benzamide; 2yxj; N3C; SCHEMBL158942; GTPL8320; QCR-51; DTXSID7042641; N-Benylpiperazine derivative, 2; BDBM21447; CHEBI:47575; AOB2880; EX-A056; SYN1001; MFCD12756212; NSC758873; s1002; ZINC94303099; compound 2 [PMID 17256834]; AKOS016003299; AM81254; CCG-264769; CS-0014; NSC-758873; NCGC00253562-01; NCGC00253562-02; BP-25381; HY-50907; SW218108-2; X7536; 808A049; BRD-K56301217-001-01-7; Q25105040; (R)-4-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)-N-(4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrophenylsulfonyl)benzamide; 4-(4-((4'-chloro-1,1'-biphenyl-2-yl)methyl)-1-piperazinyl)-N-((4-(((1R)-3-(dimethylamino)-1-((phenylsulfanyl)methyl)propyl)amino)-3-nitrophenyl)sulfony)benzamide; 4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]benzamide; 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-dimethylamino-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide; 4-{4-[(4'-chloro[1,1'-biphenyl]-2-yl)methyl]piperazin-1-yl}-N-(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene-1-sulfonyl)benzamide; 4-{4-[(4'-chloro[biphenyl]-2-yl)methyl]piperazin-1-yl}-N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]benzamide; Benzamide, 4-[4-[(4'-chloro[1,1'-biphenyl]-2-yl)methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758873	.	.	.	.	813.4	C42H45ClN6O5S2	165	1320	9	56	2	10	15	"InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1"	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]	HPLNQCPCUACXLM-PGUFJCEWSA-N
DG64650	4-Epi-7-oxo-phomopsolide E	11231822	"4-Epi-7-oxo-phomopsolide E; NSC740605; NSC-740605; (5R)-5beta-(Tigloyloxy)-6alpha-[[(S)-2-hydroxypropionyl]oxymethyl]-5,6-dihydro-2H-pyran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740605	.	.	.	.	298.29	C14H18O7	99.1	478	1	21	1	7	7	"InChI=1S/C14H18O7/c1-4-8(2)13(17)21-10-5-6-12(16)20-11(10)7-19-14(18)9(3)15/h4-6,9-11,15H,7H2,1-3H3/b8-4+/t9-,10+,11-/m0/s1"	C/C=C(\\C)/C(=O)O[C@@H]1C=CC(=O)O[C@H]1COC(=O)[C@H](C)O	FKBITCOIJAFLNT-LYDMWOGYSA-N
DG64651	"1-(3,4,5-Trimethoxyphenyl)-2-(4-methoxyphenyl)-1H-imidazole"	11233092	"NSC-735355; CHEMBL218590; DTXSID60459631; NSC735355; 882971-07-5; 1-(3,4,5-Trimethoxyphenyl)-2-(4-methoxyphenyl)-1H-imidazole; 2-(4-methoxyphenyl)-1-(3,5-trimethoxyphenyl)-1H-imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735355	.	.	.	.	340.4	C19H20N2O4	54.7	389	3.2	25	0	5	6	"InChI=1S/C19H20N2O4/c1-22-15-7-5-13(6-8-15)19-20-9-10-21(19)14-11-16(23-2)18(25-4)17(12-14)24-3/h5-12H,1-4H3"	COC1=CC=C(C=C1)C2=NC=CN2C3=CC(=C(C(=C3)OC)OC)OC	NRFSVLJKNUSJIN-UHFFFAOYSA-N
DG64652	Cladosporol B	11233399	Cladosporol B; NSC783200; NSC-783200	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783200	.	.	.	.	350.3	C20H14O6	104	659	2.9	26	2	6	1	"InChI=1S/C20H14O6/c21-11-3-1-2-9-8(4-6-12(22)14(9)11)10-5-7-13(23)16-15(10)17(24)19-20(26-19)18(16)25/h1-3,5,7-8,19-21,23H,4,6H2/t8-,19-,20+/m0/s1"	C1CC(=O)C2=C([C@H]1C3=C4C(=O)[C@H]5[C@H](O5)C(=O)C4=C(C=C3)O)C=CC=C2O	MQBNXACTQPQCQX-JMBWCGFRSA-N
DG64653	"1-(3,4,5-Trimethoxyphenyl)-5-(3-fluoro-4-methoxyphenyl)-1H-imidazole"	11233655	"NSC-736359; CHEMBL376683; DTXSID70459642; NSC736359; 852525-35-0; 1-(3,4,5-Trimethoxyphenyl)-5-(3-fluoro-4-methoxyphenyl)-1H-imidazole; 5-(3-fluoro-4-methoxyphenyl)-1-(3,5-trimethoxyphenyl)-1H-i midazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736359	.	.	.	.	358.4	C19H19FN2O4	54.7	430	3.3	26	0	6	6	"InChI=1S/C19H19FN2O4/c1-23-16-6-5-12(7-14(16)20)15-10-21-11-22(15)13-8-17(24-2)19(26-4)18(9-13)25-3/h5-11H,1-4H3"	COC1=C(C=C(C=C1)C2=CN=CN2C3=CC(=C(C(=C3)OC)OC)OC)F	FAISKABSGVBZCD-UHFFFAOYSA-N
DG64654	"4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide"	11233873	"GSK180736A; 817194-38-0; 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide; GSK180736; CHEMBL384073; SCHEMBL2569804; HMS3303C07; HMS3305J10; BCP25022; EX-A2531; GSK-180736A; BDBM50173320; NSC756146; s8489; AKOS037515516; CCG-268228; CS-6388; NSC-756146; NCGC00241970-01; 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide; BS-17604; HY-18990; C76618; AB01092186-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756146	.	.	.	.	365.4	C19H16FN5O2	98.9	632	1.7	27	4	4	3	"InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)"	CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)NN=C4	HEAIGWIZTYAQTC-UHFFFAOYSA-N
DG64655	"1,3,7,8-Pentamethoxy-11H-indeno[1,2-c]isoquinoline Hydrychloride"	11235079	"CHEMBL188490; NSC730919; NSC-730919; 1,3,7,8-Pentamethoxy-11H-indeno[1,2-c]isoquinoline Hydrychloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730919	.	.	.	.	403.9	C21H22ClNO5	59	505	.	28	1	6	5	"InChI=1S/C21H21NO5.ClH/c1-23-16-7-11-6-14-13-9-18(25-3)21(27-5)20(26-4)15(13)10-22-19(14)12(11)8-17(16)24-2;/h7-10H,6H2,1-5H3;1H"	COC1=C(C=C2C(=C1)CC3=C2N=CC4=C(C(=C(C=C34)OC)OC)OC)OC.Cl	YWCZFYOBXXIEGG-UHFFFAOYSA-N
DG64656	"3-[(4-Chlorophenoxy)methyl]-6-(4-fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	11236342	NSC726272; NSC-726272	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726272	.	.	.	.	452.9	C22H14ClFN4O2S	89.8	582	5.7	31	0	7	6	"InChI=1S/C22H14ClFN4O2S/c23-15-7-9-16(10-8-15)29-13-20-25-26-22-28(20)27-21(31-22)14-6-11-18(24)19(12-14)30-17-4-2-1-3-5-17/h1-12H,13H2"	C1=CC=C(C=C1)OC2=C(C=CC(=C2)C3=NN4C(=NN=C4S3)COC5=CC=C(C=C5)Cl)F	FZCYPELGZKLKRT-UHFFFAOYSA-N
DG64657	"3-[(2,4-Dichlorophenoxy)methyl]-6-(4-fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	11237125	NSC726273; NSC-726273	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726273	.	.	.	.	487.3	C22H13Cl2FN4O2S	89.8	623	6.3	32	0	7	6	"InChI=1S/C22H13Cl2FN4O2S/c23-14-7-9-18(16(24)11-14)30-12-20-26-27-22-29(20)28-21(32-22)13-6-8-17(25)19(10-13)31-15-4-2-1-3-5-15/h1-11H,12H2"	C1=CC=C(C=C1)OC2=C(C=CC(=C2)C3=NN4C(=NN=C4S3)COC5=C(C=C(C=C5)Cl)Cl)F	WAZFXOZTSDPDPA-UHFFFAOYSA-N
DG64658	"(6S,9aS)-N-benzyl-6-(4-hydroxybenzyl)-8-(naphthalen-1-ylmethyl)-4,7-dioxooctahydro-1H-pyrazino[1,2-a]pyrimidine-1-carboxamide"	11238147	"ICG-001; 847591-62-2; 780757-88-2; ICG 001; ICG001; (6S,9aS)-N-benzyl-6-(4-hydroxybenzyl)-8-(naphthalen-1-ylmethyl)-4,7-dioxooctahydro-1H-pyrazino[1,2-a]pyrimidine-1-carboxamide; CHEMBL2312139; C33H32N4O4; (S,S)-ICG 001; (6S,9aS)-6-(4-hydroxybenzyl)-N-benzyl-8-(naphthalen-1-ylmethyl)-4,7-dioxo-hexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide; (6S,9AS)-HEXAHYDRO-6-[(4-HYDROXYPHENYL)METHYL]-8-(1-NAPHTHALENYLMETHYL)-4,7-DIOXO-N-(PHENYLMETHYL)-2H-PYRAZINO[1,2-A]PYRIMIDINE-1(6H)-CARBOXAMIDE; 780757-88-2 (ICG001); (6S,9aS)-6-(4-Hydroxybenzyl)-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydropyrazino[1,2-a]pyrimidine-1-carboxylic acid N-benzylamide; (6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-(naphthalen-1-ylmethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide; PRI 724; PRI-724 isomer; (6s,9as)-n-benzyl-6-(4-hydroxybenzyl)-8-(1-naphthylmethyl)-4,7-di Oxohexahydro-2h-pyrazino[1,2-a]pyrimidine-1(6h)-carboxamide; MLS006011197; SCHEMBL178745; CHEBI:95032; AOB1964; SYN5183; EX-A1745; XIB59162; ZINC3960089; BDBM50468575; MFCD12196918; NSC756641; s2662; s8262; AKOS015966600; BCP9000771; CCG-269997; CCG-269998; CS-0273; NSC-756641; NCGC00263116-01; AC-32988; AS-16543; HY-14428; SMR004702966; X7592; Y0312; J-501699; J-501702; BRD-K73261812-001-01-1; Q27166797; UNII-96C8Q7U2B3 component HQWTUOLCGKIECB-XZWHSSHBSA-N; (6R,9aR)-rel-Hexahydro-6-[(4-hydroxyphenyl)methyl]-8-(1-naphthalenylmethyl)-4,7-dioxo-N-(phenylmethyl)-2H-pyrazino[1,2-a]pyrimidine- 1(6H)-carboxamide; (6S,9aS)-6-[(4-hydroxyphenyl)methyl]-8-(1-naphthalenylmethyl)-4,7-dioxo-N-(phenylmethyl)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide; (6S,9as)-hexahydro-6-((4-hydroxyphenyl)methyl)-8-(1-naphthalenylmethyl)-4,7-dioxo-n-(phenylmethyl)-2h-pyrazino(1,2-a)pyrimidine-1(6h )-carboxamide; (6S,9aS)-N-benzyl-6-(4-hydroxybenzyl)-8-(naphthalen-1-ylmethyl)-4,7-dioxooctahydro-1H-pyrimido[1,2-a]pyrazine-1-carboxamide; 2H-PYRAZINO[1,2-A]PYRIMIDINE-1(6H)-CARBOXAMIDE,HEXAHYDRO-6-[(4-HYDROXYPHENYL)METHYL]-8-(1-NAPHTHALENYLMETHYL)-4,7-DIOXO-N-(PHENYLMETHYL)-,(6R,9AR)-REL-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756641	.	.	.	.	548.6	C33H32N4O4	93.2	930	4.1	41	2	4	6	"InChI=1S/C33H32N4O4/c38-27-15-13-23(14-16-27)19-29-32(40)35(21-26-11-6-10-25-9-4-5-12-28(25)26)22-30-36(18-17-31(39)37(29)30)33(41)34-20-24-7-2-1-3-8-24/h1-16,29-30,38H,17-22H2,(H,34,41)/t29-,30+/m0/s1"	C1CN([C@H]2CN(C(=O)[C@@H](N2C1=O)CC3=CC=C(C=C3)O)CC4=CC=CC5=CC=CC=C54)C(=O)NCC6=CC=CC=C6	HQWTUOLCGKIECB-XZWHSSHBSA-N
DG64659	Fluorocyclopentenylcytosine	11242315	"RX-3117; 865838-26-2; fluorocyclopentenylcytosine; Roducitabine; RX3117; RX 3117; TV-1360; UNII-0Z4A82I0JO; 0Z4A82I0JO; 4-amino-1-[(1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one; Roducitabine [USAN]; 1-[(1S,4R,5S)-2-Fluoro-3-(hydroxymethyl)-4,5-dihydroxy-2-cyclopentenyl]cytosine; 4-amino-1-[(1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-1,2-dihydropyrimidin-2-one; 4-Amino-1-((1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl)-2(1H)-pyrimidinone; 4-Amino-1-[(1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl]-2(1H)-pyrimidinone; fluorocyclopentenyl cytosine; fluorocyclopentenyl-cytosine; SCHEMBL4409591; CHEMBL2064455; CHEBI:147412; EX-A4776; NSC785657; WHO 11374; ZINC84651969; CS-3947; NSC-785657; NCGC00485875-01; NCGC00485875-02; HY-15228; B5828; A900305; S900007480; 4-amino-1-((1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)-cyclopent-2-en-1-yl)-pyrimidin-2(1H)-one; 4-amino-1-[(1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785657	.	.	.	.	257.22	C10H12FN3O4	119	474	-2.6	18	4	5	2	"InChI=1S/C10H12FN3O4/c11-6-4(3-15)8(16)9(17)7(6)14-2-1-5(12)13-10(14)18/h1-2,7-9,15-17H,3H2,(H2,12,13,18)/t7-,8-,9+/m1/s1"	C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H](C(=C2F)CO)O)O	QLLGKCJUPWYJON-HLTSFMKQSA-N
DG64660	"6-Phenyl-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine"	11243686	"NSC731103; NSC-731103; 6-Phenyl-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731103	.	.	.	.	305.8	C18H12ClN3	30.2	363	4.6	22	0	2	2	InChI=1S/C18H12ClN3/c19-15-8-6-14(7-9-15)17-18-20-10-11-22(18)12-16(21-17)13-4-2-1-3-5-13/h1-12H	C1=CC=C(C=C1)C2=CN3C=CN=C3C(=N2)C4=CC=C(C=C4)Cl	HVEPLVGFUNETRM-UHFFFAOYSA-N
DG64661	"(2E)-2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole"	11244031	GX15-070; NSC756663; GX15070; NSC-756663; GX15 070	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756663	.	.	.	.	317.4	C20H19N3O	49.4	777	3.3	24	2	3	2	"InChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21,23H,1-3H3/b18-17+,19-10+"	CC1=CC(=C(N1)/C=C/2\\C(=C/C(=C\\3/C=C4C=CC=CC4=N3)/N2)OC)C	CVCLJVVBHYOXDC-AMTOVTBASA-N
DG64662	"5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	11246320	"CHEMBL1773221; NSC726974; NSC-726974; 5,11-dioxo-11H-indeno[ 1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726974	.	.	.	.	391.8	C22H18ClN3O2	55.2	658	.	28	1	3	4	"InChI=1S/C22H17N3O2.ClH/c26-21-17-8-3-2-7-16(17)20-19(21)15-6-1-4-9-18(15)22(27)25(20)12-5-11-24-13-10-23-14-24;/h1-4,6-10,13-14H,5,11-12H2;1H"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN5C=CN=C5.Cl	VNOLZGUVFGEXEL-UHFFFAOYSA-N
DG64663	"2,4,7,8-Pentamethoxy-11H-indeno[1,2-c]isoquinoline Hydrychloride"	11246677	"CHEMBL190808; SCHEMBL2972759; NSC730925; NSC-730925; 2,4,7,8-Pentamethoxy-11H-indeno[1,2-c]isoquinoline Hydrychloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730925	.	.	.	.	403.9	C21H22ClNO5	59	505	.	28	1	6	5	"InChI=1S/C21H21NO5.ClH/c1-23-15-7-11-6-14-18-12(8-17(25-3)20(26-4)21(18)27-5)10-22-19(14)13(11)9-16(15)24-2;/h7-10H,6H2,1-5H3;1H"	COC1=C(C=C2C(=C1)CC3=C2N=CC4=CC(=C(C(=C34)OC)OC)OC)OC.Cl	UZELIUHSVHMTDC-UHFFFAOYSA-N
DG64664	"4-(3,4-dichlorophenyl)-N-1H-indazol-5-yl-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxamide"	11247002	"GSK299115A; 864082-35-9; 4-(3,4-dichlorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide; 4-(3,4-dichlorophenyl)-N-1H-indazol-5-yl-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxamide; CHEMBL374453; SCHEMBL3888838; BDBM14051; dihydropyridone indazole amide 11; HMS3303D10; HMS3305J24; NSC756164; NSC-756164; NCGC00242017-01; AB01092188-01; 4-(3,4-dichlorophenyl)-N-(1H-indazol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756164	.	.	.	.	415.3	C20H16Cl2N4O2	86.9	671	3.2	28	3	3	3	"InChI=1S/C20H16Cl2N4O2/c1-10-19(20(28)25-13-3-5-17-12(6-13)9-23-26-17)14(8-18(27)24-10)11-2-4-15(21)16(22)7-11/h2-7,9,14H,8H2,1H3,(H,23,26)(H,24,27)(H,25,28)"	CC1=C(C(CC(=O)N1)C2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC4=C(C=C3)NN=C4	RHTXWIKPNGROHZ-UHFFFAOYSA-N
DG64665	"N,12'-chrysenyl)-bis-[4-(1'-piperidinyl)-butane-1,4-di amine"	11250083	"CHEMBL1254724; NSC729108; NSC-729108; N,12'-chrysenyl)-bis-[4-(1'-piperidinyl)-butane-1,4-di amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729108	.	.	.	.	536.8	C36H48N4	30.5	656	8.8	40	2	4	12	"InChI=1S/C36H48N4/c1-9-21-39(22-10-1)25-13-7-19-37-35-27-33-30-16-4-6-18-32(30)36(28-34(33)29-15-3-5-17-31(29)35)38-20-8-14-26-40-23-11-2-12-24-40/h3-6,15-18,27-28,37-38H,1-2,7-14,19-26H2"	C1CCN(CC1)CCCCNC2=CC3=C(C=C(C4=CC=CC=C43)NCCCCN5CCCCC5)C6=CC=CC=C62	SARVALDVDXJZEV-UHFFFAOYSA-N
DG64666	"5,6-dioxo-11H-inden o[1,2-c]isoquinoline"	11256032	"CHEMBL425544; SCHEMBL15430143; BDBM50427894; NSC726975; STL523869; ZINC28461321; AKOS030486370; NSC-726975; 5,6-dioxo-11H-inden o[1,2-c]isoquinoline; 6-[3-(dimethylamino)propyl]-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726975	.	.	.	.	332.4	C21H20N2O2	40.6	595	2.8	25	0	3	4	"InChI=1S/C21H20N2O2/c1-22(2)12-7-13-23-19-15-9-4-5-10-16(15)20(24)18(19)14-8-3-6-11-17(14)21(23)25/h3-6,8-11H,7,12-13H2,1-2H3"	CN(C)CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42	FYGFCQLVSPTQEJ-UHFFFAOYSA-N
DG64667	"(S)-N1-((1H-Benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine"	11256587	"558447-26-0; AMD-070; Mavorixafor; (S)-N1-((1H-Benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine; AMD070; AMD 070; AMD11070; UNII-0G9LGB5O2W; AMD-11070; X4P-001; 0G9LGB5O2W; CHEMBL518924; X4p001; Mavorixafor (USAN); Mavorixafor [USAN]; N'-(1H-benzimidazol-2-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine; AMD-070 (AMD11070); X 4P-001; C21H27N5; AMD 11070; compound 2 [PMID: 20297846]; AMD-070; Mavorixafor; Cxcr4 inhibitor x4p-001; GTPL8580; SCHEMBL2511950; DTXSID60971247; QCR-228; CHEBI:138865; X4P-001-IO; X4P-001-LD; BCP07108; EX-A2661; 8157AB; BDBM50315305; MFCD11977316; NSC775637; WHO 10724; ZINC33359232; AMD-070 HCl 75%(w/w%); CS-0352; CS-1257; DB05501; NSC-775637; NCGC00378947-01; NCGC00378947-02; NCGC00378947-03; HY-50101; N~1~-[(1H-Benzimidazol-2-yl)methyl]-N~1~-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine; C20266; D11510; F31237; Q27074430; (S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-aminobutyl)-5,6,7,8-tetrahydroquinolin-8-amine; N'-((1H-benzo(d)imidazol-2-yl)methyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine; N-(1H-benzimidazol-2-ylmethyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775637	.	.	.	.	349.5	C21H27N5	70.8	431	2.4	26	2	4	7	"InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1"	C1C[C@@H](C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3	WVLHHLRVNDMIAR-IBGZPJMESA-N
DG64668	"5,11-dioxo-11H-indeno[1,2-c]isoquinoline bromide"	11259930	"NSC730630; NSC-730630; 5,11-dioxo-11H -indeno[1,2-c]isoquinoline bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730630	.	.	.	.	469.4	C25H29BrN2O2	37.4	670	.	30	0	3	7	"InChI=1S/C25H29N2O2.BrH/c1-4-27(5-2,6-3)17-11-16-26-23-19-13-8-9-14-20(19)24(28)22(23)18-12-7-10-15-21(18)25(26)29;/h7-10,12-15H,4-6,11,16-17H2,1-3H3;1H/q+1;/p-1"	CC[N+](CC)(CC)CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42.[Br-]	OXFUYESFCBLMBB-UHFFFAOYSA-M
DG64669	"2-Benzylthio-4-chloro-2-(4-chlorophenylcarbamoyl)-N-(5,2,4-triazin-3-yl)-benzenesulfonamide"	11262540	"NSC728506; NSC-728506; 2-Benzylthio-4-chloro-2-(4-chlorophenylcarbamoyl)-N-(5,2,4-triazin-3-yl)-benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728506	.	.	.	.	698.6	C35H25Cl2N5O3S2	148	1090	7.5	47	2	8	10	"InChI=1S/C35H25Cl2N5O3S2/c36-26-16-18-27(19-17-26)38-34(43)28-20-31(30(21-29(28)37)46-22-23-10-4-1-5-11-23)47(44,45)42-35-39-32(24-12-6-2-7-13-24)33(40-41-35)25-14-8-3-9-15-25/h1-21H,22H2,(H,38,43)(H,39,41,42)"	C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl)S(=O)(=O)NC4=NC(=C(N=N4)C5=CC=CC=C5)C6=CC=CC=C6	DSQJLYQTDWUCFV-UHFFFAOYSA-N
DG64670	"1,5-bis(4-methoxyphenyl)-1H-imidazole"	11265974	"NSC-734603; 1,5-bis(4-methoxyphenyl)-1H-imidazole; 852525-32-7; CHEMBL220554; DTXSID30460618; NSC734603"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734603	.	.	.	.	280.32	C17H16N2O2	36.3	310	3.3	21	0	3	4	"InChI=1S/C17H16N2O2/c1-20-15-7-3-13(4-8-15)17-11-18-12-19(17)14-5-9-16(21-2)10-6-14/h3-12H,1-2H3"	COC1=CC=C(C=C1)C2=CN=CN2C3=CC=C(C=C3)OC	VWJKTSXAGACLQW-UHFFFAOYSA-N
DG64671	2-[2-[2-[2-(2-Aminophenyl)ethynyl]phenyl]ethynyl]aniline	11266822	NSC727178; NSC-727178	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727178	.	.	.	.	308.4	C22H16N2	52	489	4.6	24	2	2	4	"InChI=1S/C22H16N2/c23-21-11-5-3-9-19(21)15-13-17-7-1-2-8-18(17)14-16-20-10-4-6-12-22(20)24/h1-12H,23-24H2"	C1=CC=C(C(=C1)C#CC2=CC=CC=C2N)C#CC3=CC=CC=C3N	BZPJHLWWAGEDIZ-UHFFFAOYSA-N
DG64672	"N-(1H-indazol-5-yl)-2-methyl-4-(naphthalen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxamide"	11269477	"GSK270822A; 864082-23-5; N-(1H-indazol-5-yl)-2-methyl-4-(naphthalen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxamide; N-(1H-Indazol-5-yl)-2-methyl-4-(2-naphthyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxamide; N-(1H-indazol-5-yl)-6-methyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide; CHEMBL441702; SCHEMBL3860469; BDBM14052; dihydropyridone indazole amide 12; HMS3303K01; HMS3305C12; NSC756163; NSC-756163; NCGC00241899-01; AB01092187-01; N-1H-Indazol-5-yl-2-methyl-4-(2-naphthalenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756163	.	.	.	.	396.4	C24H20N4O2	86.9	720	3.2	30	3	3	3	"InChI=1S/C24H20N4O2/c1-14-23(24(30)27-19-8-9-21-18(11-19)13-25-28-21)20(12-22(29)26-14)17-7-6-15-4-2-3-5-16(15)10-17/h2-11,13,20H,12H2,1H3,(H,25,28)(H,26,29)(H,27,30)"	CC1=C(C(CC(=O)N1)C2=CC3=CC=CC=C3C=C2)C(=O)NC4=CC5=C(C=C4)NN=C5	ODLNBFNBEPOFNC-UHFFFAOYSA-N
DG64673	"3-[(N,6-dihydro-2,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	11270518	"CHEMBL151795; NSC724058; NSC-724058; 3-[(N,6-dihydro-2,3-dimethoxy-8 ,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724058	.	.	.	.	436.5	C24H24N2O6	77.5	797	2.5	32	0	7	6	"InChI=1S/C24H24N2O6/c1-25(2)6-5-7-26-22-14-9-19-20(32-12-31-19)10-15(14)23(27)21(22)13-8-17(29-3)18(30-4)11-16(13)24(26)28/h8-11H,5-7,12H2,1-4H3"	CN(C)CCCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5	UYIMRGCQWUTROS-UHFFFAOYSA-N
DG64674	NSC756148	11273032	"(3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl N,N-dimethylcarbamate; GSK182497A; CHEMBL517123; SCHEMBL6236347; BDBM28514; HMS3303D17; HMS3305G14; NSC756148; NSC-756148; AB01092419-01; pyrrolidinyl-acetylenic thieno[3,2-d]pyrimidine, 6d; (3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl N,N-dimethylcarbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756148	.	.	.	.	566	C28H25ClFN5O3S	117	905	5.3	39	2	9	8	"InChI=1S/C28H25ClFN5O3S/c1-35(2)28(36)38-21-11-19(31-14-21)6-8-22-13-24-26(39-22)27(33-16-32-24)34-20-7-9-25(23(29)12-20)37-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,31H,11,14-15H2,1-2H3,(H,32,33,34)/t19-,21-/m1/s1"	CN(C)C(=O)O[C@@H]1C[C@H](NC1)C#CC2=CC3=C(S2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	YEIAMNOHYKXSFB-TZIWHRDSSA-N
DG64675	NSC733625	11274076	"2-[6-[(11S,13S,17S)-17-hydroxy-13-methyl-3-oxo-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl]hexylamino]ethyl N-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]carbamate; NSC733625; 865070-37-7; SCHEMBL16640358; DTXSID50460751; NSC-733625; Carbamic acid, 2-[[6-[(11.beta.,17.beta.)-17-hydroxy-3-oxoestra-4,9-dien-11-yl]hexyl]amino]ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733625	.	.	.	.	716.8	C40H59Cl2N3O4	90.9	1130	6.8	49	3	6	20	"InChI=1S/C40H59Cl2N3O4/c1-40-28-31(38-34-16-14-33(46)27-30(34)11-15-35(38)36(40)17-18-37(40)47)8-4-2-3-5-21-43-23-26-49-39(48)44-22-6-7-29-9-12-32(13-10-29)45(24-19-41)25-20-42/h9-10,12-13,27,31,35-37,43,47H,2-8,11,14-26,28H2,1H3,(H,44,48)/t31-,35 ,36 ,37-,40-/m0/s1"	C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CCC3C1CC[C@@H]2O)CCCCCCNCCOC(=O)NCCCC5=CC=C(C=C5)N(CCCl)CCCl	NUVYGWMULLVQOM-YLUJQFMWSA-N
DG64676	Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate	11279826	CHEMBL187754; NSC726671; NSC-726671	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726671	.	.	.	.	359.3	C18H12F3N3O2	64.099	475	4.2	26	1	8	5	"InChI=1S/C18H12F3N3O2/c19-18(20,21)16-10-12(7-9-23-16)24-15-6-2-1-5-14(15)17(25)26-13-4-3-8-22-11-13/h1-11H,(H,23,24)"	C1=CC=C(C(=C1)C(=O)OC2=CN=CC=C2)NC3=CC(=NC=C3)C(F)(F)F	ODJBYXFDCRGEQH-UHFFFAOYSA-N
DG64677	"6-(3-Azidopropyl)-5,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	11280256	"NSC731543; NSC-731543; 6-(3-Azidopropyl)-5,9-methylenedioxy-5,11-dioxo- 11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731543	.	.	.	.	374.3	C20H14N4O4	70.2	774	3.5	28	0	6	4	"InChI=1S/C20H14N4O4/c21-23-22-6-3-7-24-18-13-8-15-16(28-10-27-15)9-14(13)19(25)17(18)11-4-1-2-5-12(11)20(24)26/h1-2,4-5,8-9H,3,6-7,10H2"	C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=CC=CC=C5C(=O)N4CCCN=[N+]=[N-]	BZTVVGVIZNCMCL-UHFFFAOYSA-N
DG64678	"3-(4-Amino-3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-7-yl)benzenesulfonamide"	11281930	"CHEMBL241517; GW856804X; SCHEMBL4471490; HMS3303G14; HMS3305H10; BDBM50195879; NSC756409; NSC-756409; NCGC00242083-01; AB01092175-01; 3-(4-amino-3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-7-yl)benzenesulfonamide; 4-Amino-3-(3-chloro-4-fluoro-phenyl)-7-(3-sulfamoylphenyl)thieno[3,2-c]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756409	.	.	.	.	433.9	C19H13ClFN3O2S2	136	664	4.1	28	2	7	3	"InChI=1S/C19H13ClFN3O2S2/c20-15-7-11(4-5-16(15)21)14-9-27-18-13(8-24-19(22)17(14)18)10-2-1-3-12(6-10)28(23,25)26/h1-9H,(H2,22,24)(H2,23,25,26)"	C1=CC(=CC(=C1)S(=O)(=O)N)C2=CN=C(C3=C2SC=C3C4=CC(=C(C=C4)F)Cl)N	PILHXMMEJPSZLL-UHFFFAOYSA-N
DG64679	Amuvatinib	11282283	"Amuvatinib; 850879-09-3; MP-470; MP470; MP 470; HPK 56; HPK56; Amuvatinib (MP-470); HPK-56; UNII-SO9S6QZB4R; N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide; Amuvatinib (MP-470, HPK 56); SO9S6QZB4R; N-(1,3-benzodioxol-5-ylmethyl)-4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide; N-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-(benzofuro-[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide; N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide.; Amuvatinib [USAN:INN]; 1-Piperazinecarbothioamide, N-(1,3-benzodioxol-5-ylmethyl)-4-benzofuro(3,2-d)pyrimidin-4-yl-; 1-Piperazinecarbothioamide, N-(1,3-benzodioxol-5-ylmethyl)-4-benzofuro[3,2-d]pyrimidin-4-yl-; Amuvatinib(MP470); Amuvatinib (USAN/INN); SCHEMBL93976; MLS006010954; GTPL7932; CHEMBL2103851; CHEBI:91389; DTXSID50234176; EX-A236; SYN1056; BCPP000157; HMS3244A11; HMS3244A12; HMS3244B11; HMS3295E01; HMS3654D07; MP-470 (RAD51); BDBM50172081; MFCD16038298; NSC754349; NSC799332; s1244; ZINC34951302; AKOS025149102; BCP9000965; CCG-264877; CS-0178; DB12742; NSC-754349; NSC-799332; QC-8281; SB19384; N-(1,3-Benzodioxol-5-ylmethyl)-4-benzofuro[3,2-d]pyrimidin-4-yl-1-piperazinecarbothioamide; NCGC00263158-01; NCGC00263158-07; AC-32058; AS-16213; HY-10206; N-(1,3-Benzodioxol-5-ylmethyl)-4-(benzofuro(3,2-d)pyrimidin-4-yl)piperazine-1- carbothioamide; SMR004702758; FT-0717843; SW219808-1; X7485; D09864; 879B093; J-523155; BRD-K66538826-001-01-5; Q27074458; 4-Benzo[4,5]furo[3,2-d]pyrimidin-4-yl-piperazine-1-carbothioic acid (benzo[1,3]-dioxol-5-ylmethyl)-amide; 4-Benzo[4,5]furo[3,2-d]pyrimidin-4-yl-piperazine-1-carbothioic acid (benzo[1,3]dioxol-5-ylmethyl)-amide; 4-Benzo[4,5]furo[3,2-d]pyrimidin-4-yl-piperazine-1-carbothioic acid(benzo[1,3]dioxol-5-ylmethyl)-amide; 4-Benzo[4.5]furo[3.2-d]pyrimidin-4-yl-piperazine-1-carbothioic acid (benzo[1.3]dioxol-5-ylmethyl)-amide; N-(1,3-benzodioxol-5-ylmethyl)-4-([1]benzoxolo[2,3-e]pyrimidin-4-yl)piperazine-1-carbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754349	.	.	.	.	447.5	C23H21N5O3S	108	678	3.5	32	1	7	3	"InChI=1S/C23H21N5O3S/c32-23(24-12-15-5-6-18-19(11-15)30-14-29-18)28-9-7-27(8-10-28)22-21-20(25-13-26-22)16-3-1-2-4-17(16)31-21/h1-6,11,13H,7-10,12,14H2,(H,24,32)"	C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6	FOFDIMHVKGYHRU-UHFFFAOYSA-N
DG64680	NSC756411	11284937	"(3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl morpholine-4-carboxylate; GW869810X; BMCL1921 Compound 6h; alkynyl thienopyrimidine, 15a; CHEMBL507329; SCHEMBL6236620; BDBM28489; HMS3303O14; HMS3305K12; NSC756411; NSC-756411; AB01092392-01; (3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl morpholine-4-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756411	.	.	.	.	608.1	C30H27ClFN5O4S	126	982	4.9	42	2	10	8	"InChI=1S/C30H27ClFN5O4S/c31-25-14-22(5-7-27(25)40-17-19-2-1-3-20(32)12-19)36-29-28-26(34-18-35-29)15-24(42-28)6-4-21-13-23(16-33-21)41-30(38)37-8-10-39-11-9-37/h1-3,5,7,12,14-15,18,21,23,33H,8-11,13,16-17H2,(H,34,35,36)/t21-,23-/m1/s1"	C1COCCN1C(=O)O[C@@H]2C[C@H](NC2)C#CC3=CC4=C(S3)C(=NC=N4)NC5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)Cl	NKOJMDRKLJSOJR-FYYLOGMGSA-N
DG64681	RGB-286638 free base	11285002	"RGB-286638 free base; 784210-88-4; RGB-286638; UNII-1GAJ98SC2X; 1-[3-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-4-oxo-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea; 784210-88-4 (free base); RGB286638; 1GAJ98SC2X; RGB 286638 free base; GTPL7744; CHEMBL3545083; SCHEMBL10087436; DTXSID00229072; EX-A557; BCP14399; BDBM50193093; HY-15504A; MFCD18633230; NSC800866; ZINC43128366; AKOS030526900; CS-3452; NSC-800866; NCGC00390582-01; DA-41357; Urea, N-(1,4-dihydro-3-(4-((4-(2-methoxyethyl)-1-piperazinyl)methyl)phenyl)-4-oxoindeno(1,2-c)pyrazol-5-yl)-n'-4-morpholinyl-; FT-0700365; A865030; J-690351; Q27088539; 1-[3-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea; N-[1,4-Dihydro-3-[4-[[4-(2-methoxyethyl)-1-piperazinyl]methyl]phenyl]-4-oxoindeno[1,2-c]pyrazol-5-yl]-N'-4-morpholinylurea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800866	.	.	.	.	545.6	C29H35N7O4	115	857	2	40	3	8	8	"InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38)"	COCCN1CCN(CC1)CC2=CC=C(C=C2)C3=NNC4=C3C(=O)C5=C4C=CC=C5NC(=O)NN6CCOCC6	XLSYZSRXVVCHLS-UHFFFAOYSA-N
DG64682	"4-(4-Fluorophenyl)-5-(1,5-naphthyridin-2-yl)thiazol-2-amine"	11290221	"CHEMBL361237; GW785804X; SCHEMBL373499; HMS3303N16; HMS3305M12; BDBM50151353; NSC756352; NSC-756352; NCGC00242121-01; AB01092248-01; 4-(4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)thiazol-2-amine; 4-(4-Fluoro-phenyl)-5-[1,5]naphthyridin-2-yl-thiazol-2-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756352	.	.	.	.	322.4	C17H11FN4S	92.9	404	3.4	23	1	6	2	"InChI=1S/C17H11FN4S/c18-11-5-3-10(4-6-11)15-16(23-17(19)22-15)14-8-7-12-13(21-14)2-1-9-20-12/h1-9H,(H2,19,22)"	C1=CC2=C(C=CC(=N2)C3=C(N=C(S3)N)C4=CC=C(C=C4)F)N=C1	WDANXJFHYRXNLL-UHFFFAOYSA-N
DG64683	"1-(3,4,5-Trimethoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazole"	11290749	"NSC-733436; CHEMBL376684; DTXSID80461433; NSC733436; 852525-33-8; 1-(3,4,5-Trimethoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazole; 5-(4-methoxyphenyl)-1-(3,5-trimethoxyphenyl)-1H-imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733436	.	.	.	.	340.4	C19H20N2O4	54.7	389	3.2	25	0	5	6	"InChI=1S/C19H20N2O4/c1-22-15-7-5-13(6-8-15)16-11-20-12-21(16)14-9-17(23-2)19(25-4)18(10-14)24-3/h5-12H,1-4H3"	COC1=CC=C(C=C1)C2=CN=CN2C3=CC(=C(C(=C3)OC)OC)OC	UJOMKZPXJHLOAT-UHFFFAOYSA-N
DG64684	"5,11-dioxo-6-(2-N-piperazine-1-ethyl)-11H-indeno [1,2-c]isoquinoline"	11291330	"CHEMBL187100; NSC725670; NSC-725670; 5,11-dioxo-6-(2-N-piperazine-1-ethyl)-11H-indeno [1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725670	.	.	.	.	359.4	C22H21N3O2	52.6	652	1.8	27	1	4	3	"InChI=1S/C22H21N3O2/c26-21-17-7-3-2-6-16(17)20-19(21)15-5-1-4-8-18(15)22(27)25(20)14-13-24-11-9-23-10-12-24/h1-8,23H,9-14H2"	C1CN(CCN1)CCN2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53	JRHPKTJYGSGQMS-UHFFFAOYSA-N
DG64685	(2-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate	11292294	CHEMBL362341; NSC731822; NSC-731822	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731822	.	.	.	.	392.8	C19H12ClF3N2O2	51.2	506	5.9	27	1	7	5	"InChI=1S/C19H12ClF3N2O2/c20-14-6-2-4-8-16(14)27-18(26)13-5-1-3-7-15(13)25-12-9-10-24-17(11-12)19(21,22)23/h1-11H,(H,24,25)"	C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2Cl)NC3=CC(=NC=C3)C(F)(F)F	OISCLGVVNMPCQX-UHFFFAOYSA-N
DG64686	Neocaesalpin G	11295185	Neocaesalpin G; NSC730815; NSC-730815; 626255-34-3	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730815	.	.	.	.	510.6	C30H38O7	102	994	4.1	37	2	7	5	"InChI=1S/C30H38O7/c1-18-20-16-23(32)37-29(20,35-5)17-21-24(18)25(33)26(30(34)27(2,3)14-9-15-28(21,30)4)36-22(31)13-12-19-10-7-6-8-11-19/h6-8,10-13,16,18,21,24-26,33-34H,9,14-15,17H2,1-5H3/b13-12+/t18-,21-,24-,25+,26+,28+,29+,30+/m0/s1"	C[C@@H]1[C@H]2[C@H](C[C@@]3(C1=CC(=O)O3)OC)[C@]4(CCCC([C@@]4([C@@H]([C@@H]2O)OC(=O)/C=C/C5=CC=CC=C5)O)(C)C)C	LJLXYFXCWJXAPZ-ZPZROSRQSA-N
DG64687	"7,8,9-Trimethoxy-2,3-methylenedioxy-11H-indeno[1,2-c]isoquinoline Hydrochloride"	11303773	"CHEMBL363065; SCHEMBL2969583; NSC730927; NSC-730927; 7,8,9-Trimethoxy-2,3-methylenedioxy-11H-indeno[1,2-c]isoquinoline Hydrochloride; 7,9-Trimethoxy-2,3-methylenedioxy-11H-indeno[1,2-c]isoquin oline Hydrychloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730927	.	.	.	.	387.8	C20H18ClNO5	59	518	.	27	1	6	3	"InChI=1S/C20H17NO5.ClH/c1-22-16-5-10-4-13-12-7-15-14(25-9-26-15)6-11(12)8-21-18(13)17(10)20(24-3)19(16)23-2;/h5-8H,4,9H2,1-3H3;1H"	COC1=C(C(=C2C(=C1)CC3=C2N=CC4=CC5=C(C=C34)OCO5)OC)OC.Cl	ASOIHPDMWAQBMW-UHFFFAOYSA-N
DG64688	"5,11-dioxo-5-(propyl-3'-t-butoxycarbamoyl)-11H-i ndeno[1,2-c]isoquinoline"	11304253	"NSC725047; NSC-725047; 5,11-dioxo-5-(propyl-3'-t-butoxycarbamoyl)-11H-i ndeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725047	.	.	.	.	404.5	C24H24N2O4	75.7	751	3.4	30	1	4	6	"InChI=1S/C24H24N2O4/c1-24(2,3)30-23(29)25-13-8-14-26-20-16-10-5-6-11-17(16)21(27)19(20)15-9-4-7-12-18(15)22(26)28/h4-7,9-12H,8,13-14H2,1-3H3,(H,25,29)"	CC(C)(C)OC(=O)NCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42	HOQOQCKVHSRAKU-UHFFFAOYSA-N
DG64689	"11-[2'(S),6-dihydro-5-keto-2,3-dimet hoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoli ne"	11305794	"NSC726764; NSC-726764; 11-[2'(S),6-dihydro-5-keto-2,3-dimet hoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoli ne"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726764	.	.	.	.	463.5	C26H29N3O5	109	844	1.5	34	2	7	7	"InChI=1S/C26H29N3O5/c1-29-25-18-11-23-22(33-13-34-23)9-15(18)16(8-14(28)6-4-5-7-27)24(25)17-10-20(31-2)21(32-3)12-19(17)26(29)30/h8-12,14H,4-7,13,27-28H2,1-3H3/b16-8+/t14-/m0/s1"	CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)/C(=C/[C@H](CCCCN)N)/C4=CC5=C(C=C42)OCO5	WTPOEZTUCYCZOW-BRSWLGOBSA-N
DG64690	NSC756149	11307581	"(3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl N-ethylcarbamate; GSK192082A; CHEMBL512076; SCHEMBL6241530; BDBM28513; HMS3303E07; HMS3305P09; NSC756149; NSC-756149; AB01092420-01; pyrrolidinyl-acetylenic thieno[3,2-d]pyrimidine, 6c; (3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl N-ethylcarbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756149	.	.	.	.	566	C28H25ClFN5O3S	126	892	5.5	39	3	9	9	"InChI=1S/C28H25ClFN5O3S/c1-2-31-28(36)38-21-11-19(32-14-21)6-8-22-13-24-26(39-22)27(34-16-33-24)35-20-7-9-25(23(29)12-20)37-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,32H,2,11,14-15H2,1H3,(H,31,36)(H,33,34,35)/t19-,21-/m1/s1"	CCNC(=O)O[C@@H]1C[C@H](NC1)C#CC2=CC3=C(S2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	IYINYGZMZPUBOK-TZIWHRDSSA-N
DG64691	"2-[(Z)-6-(2-aminophenyl)hex-3-en-1,5-diynyl]aniline"	11311467	NSC727180; NSC-727180	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727180	.	.	.	.	258.3	C18H14N2	52	421	3.6	20	2	2	2	"InChI=1S/C18H14N2/c19-17-13-7-5-11-15(17)9-3-1-2-4-10-16-12-6-8-14-18(16)20/h1-2,5-8,11-14H,19-20H2/b2-1-"	C1=CC=C(C(=C1)C#C/C=C\\C#CC2=CC=CC=C2N)N	JVRFMOVGPUGXCU-UPHRSURJSA-N
DG64692	"2,4-Trimethoxy-7,8-methylenedioxy-11H-indeno[1,2-c]isoquin oline Hydrychloride"	11315214	"CHEMBL361495; NSC730922; NSC-730922; 2,4-Trimethoxy-7,8-methylenedioxy-11H-indeno[1,2-c]isoquin oline Hydrychloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730922	.	.	.	.	387.8	C20H18ClNO5	59	518	.	27	1	6	3	"InChI=1S/C20H17NO5.ClH/c1-22-16-6-11-8-21-18-12-7-15-14(25-9-26-15)5-10(12)4-13(18)17(11)20(24-3)19(16)23-2;/h5-8H,4,9H2,1-3H3;1H"	COC1=C(C(=C2C3=C(C4=CC5=C(C=C4C3)OCO5)N=CC2=C1)OC)OC.Cl	HNPPPWUVNMUHSR-UHFFFAOYSA-N
DG64693	"6-[(3-Amino-n-propyl)amino-1-propyl]-5,3-dimetho xy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoli ne"	11317241	"CHEMBL421796; NSC724563; NSC-724563; 6-[(3-Amino-n-propyl)amino-1-propyl]-5,3-dimetho xy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoli ne"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724563	.	.	.	.	465.5	C25H27N3O6	112	819	1.5	34	2	8	9	"InChI=1S/C25H27N3O6/c1-31-18-9-14-17(12-19(18)32-2)25(30)28(8-4-7-27-6-3-5-26)23-15-10-20-21(34-13-33-20)11-16(15)24(29)22(14)23/h9-12,27H,3-8,13,26H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCCN)OC	ZHASIPINVXWTEX-UHFFFAOYSA-N
DG64694	"5-methyl-7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine"	11328632	"774460-98-9; 5-methyl-7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine; CHEMBL520037; CID 11328632; GW837331X; 5-Methyl-7-(3-(trifluoromethyl)phenyl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine; SCHEMBL3996619; DTXSID30462516; HMS3303L13; HMS3305L23; ZINC6716391; BDBM50275752; NSC756403; NSC-756403; NCGC00242072-01; AB01092260-01; 5-methyl-7-(3-(trifluoromethyl)phenyl)-N-(3,4,5-trimethoxyphenyl)imidazo[1,5-f][1,2,4]triazin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756403	.	.	.	.	459.4	C22H20F3N5O3	82.8	631	4.5	33	1	10	6	"InChI=1S/C22H20F3N5O3/c1-12-16-11-26-21(28-15-9-17(31-2)19(33-4)18(10-15)32-3)29-30(16)20(27-12)13-6-5-7-14(8-13)22(23,24)25/h5-11H,1-4H3,(H,28,29)"	CC1=C2C=NC(=NN2C(=N1)C3=CC(=CC=C3)C(F)(F)F)NC4=CC(=C(C(=C4)OC)OC)OC	FGUYNCHKIOFPMS-UHFFFAOYSA-N
DG64695	"6-(4-Methylphenyl)-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine"	11336170	"NSC731104; NSC-731104; 6-(4-Methylphenyl)-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731104	.	.	.	.	319.8	C19H14ClN3	30.2	388	5	23	0	2	2	"InChI=1S/C19H14ClN3/c1-13-2-4-14(5-3-13)17-12-23-11-10-21-19(23)18(22-17)15-6-8-16(20)9-7-15/h2-12H,1H3"	CC1=CC=C(C=C1)C2=CN3C=CN=C3C(=N2)C4=CC=C(C=C4)Cl	NYVLXPZNIVIRFN-UHFFFAOYSA-N
DG64696	"4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide"	11338033	"AT7519; 844442-38-2; AT-7519; AT 7519; 4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide; UNII-X1BF92PW9T; N-(4-Piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide; AT-7519 free base; 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; X1BF92PW9T; 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide; 844442-38-2 (free base),; 1H-Pyrazole-3-carboxamide, 4-((2,6-dichlorobenzoyl)amino)-n-4-piperidinyl; 4-(2,6-Dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acid N-(piperidin-4-yl)amide; 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide; LZE; pyrazole diamide, 33; Cdki at7519; MLS006010064; SCHEMBL955568; C16H17Cl2N5O2; CHEMBL445813; GTPL5662; JMC514986 Compound 33; SCHEMBL21134171; BDBM24654; CHEBI:91326; DTXSID30233420; EX-A225; BCPP000381; HMS3265A09; HMS3265A10; HMS3265B09; HMS3265B10; HMS3654F20; BCP02166; AT-519; BDBM50113281; MFCD13184820; NSC773394; NSC799338; s1524; ZINC16052857; 4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-5-carboxamide; AKOS026674096; AKOS037515688; BCP9000335; CCG-264904; CS-0017; DB08142; NSC-773394; NSC-799338; SB16654; NCGC00263091-01; NCGC00263091-02; NCGC00263091-15; NCGC00263091-16; AC-29010; AS-19551; HY-50940; QC-11815; SMR004701224; FT-0754016; SW219609-1; X7377; Y0270; J-523077; BRD-K13390322-001-01-4; Q27074569; 4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide; 4-N-(2,6-dichlorobenzene)-3-N-(piperidin-4-yl)-1H-pyrazole-3,4-diamido; 4-[(2,6-dichlorobenzene)amido]-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773394	.	.	.	.	382.2	C16H17Cl2N5O2	98.9	479	2.6	25	4	4	4	"InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)"	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl	OVPNQJVDAFNBDN-UHFFFAOYSA-N
DG64697	"(3R,4R)-4-Amino-1-[[4-[(3-methoxyphenyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol"	11349170	"BMS-690514; 859853-30-8; (3R,4R)-4-Amino-1-[[4-[(3-methoxyphenyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol; BMS 690514; UNII-VKU5X213Q7; VKU5X213Q7; (3R,4R)-4-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol; (3R,4R)-4-Amino-1-[[4-[(3-methoxyphenyl)amino]pyrrolo-[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol; BMS690514; (3R,4R)-4-amino-1-({4-[(3-methoxyphenyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl}methyl)piperidin-3-ol; EVRI; GTPL7879; SCHEMBL1219326; CHEMBL3545396; DTXSID3042689; QCR-141; BCPP000325; BDBM185148; Bms 6690514; 0913AF; MFCD18633295; NSC760765; NSC799363; ZINC43152599; AKOS005266712; AKOS015949393; BCP9000434; CS-0244; DB11665; NSC-760765; NSC-799363; BMS-6690514; NCGC00378630-01; (3R, 4R)-4-Amino-1-[4-(3-methoxy-phenylamino)-pyrrolo[2,1-f][1,2,4]triazin-5-ylmethyl]-piperidin-3-ol; 3-Piperidinol, 4-amino-1-((4-((3-methoxyphenyl)amino)pyrrolo(2,1-f)(1,2,4)triazin-5-yl)methyl)-, (3R,4R)-; HY-10333; A25026; P12423; J-501257; Q27075363; (3R,4R)-4-amino-1-((4-(3-methoxyphenylamino)pyrrolo[1,2-f][1,2,4]triazin-5-yl)methyl)piperidin-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760765	.	.	.	.	368.4	C19H24N6O2	101	483	0.7	27	3	7	5	"InChI=1S/C19H24N6O2/c1-27-15-4-2-3-14(9-15)23-19-18-13(5-8-25(18)22-12-21-19)10-24-7-6-16(20)17(26)11-24/h2-5,8-9,12,16-17,26H,6-7,10-11,20H2,1H3,(H,21,22,23)/t16-,17-/m1/s1"	COC1=CC=CC(=C1)NC2=NC=NN3C2=C(C=C3)CN4CC[C@H]([C@@H](C4)O)N	CSGQVNMSRKWUSH-IAGOWNOFSA-N
DG64698	N-Phenethyltriphenylacetamide	11349856	N-Phenethyltriphenylacetamide; CHEMBL521587; SCHEMBL13569353; NSC730690; NSC-730690	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730690	.	.	.	.	391.5	C28H25NO	29.1	459	6.3	30	1	1	7	"InChI=1S/C28H25NO/c30-27(29-22-21-23-13-5-1-6-14-23)28(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2,(H,29,30)"	C1=CC=C(C=C1)CCNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4	SFKTYTKEYBNZLR-UHFFFAOYSA-N
DG64699	Lexibulin	11351021	"LEXIBULIN; 917111-44-5; CYT997; CYT-997; CYT 997; CYT997 (Lexibulin); UNII-2GTU230HA1; 2GTU230HA1; Lexibulin hydrochloride; 1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]urea; C24H30N6O2; (S)-1-Ethyl-3-(2-methoxy-4-(5-methyl-4-((1-(pyridin-3-yl)butyl)amino)pyrimidin-2-yl)phenyl)urea; 1-Ethyl-3-(2-methoxy-4-(5-methyl-4-(((1S)-1-(pyridin-3-yl)butyl)amino)pyrimidin-2-yl)phenyl)urea; 1-Ethyl-3-[2-Methoxy-4-(5-Methyl-4-{[(1s)-1-(Pyridin-3-Yl)butyl]amino}pyrimidin-2-Yl)phenyl]urea; n-ethyl-n'-(2-methoxy-4-(5-methyl-4-(((1s)-1-(3-pyridinyl)butyl)amino)-2-pyrimidinyl)phenyl)urea; N-ethyl-N'-[2-methoxy-4-[5-methyl-4-[[(1S)-1-(3-pyridinyl)butyl]amino]-2-pyrimidinyl]phenyl]urea; Lexibulin [USAN:INN]; N-Ethyl-N'-[2-methoxy-4-(5-methyl-4-{[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl)phenyl]urea; N-Ethyl-N'-[2-methoxy-4-(5-methyl-4-{[(1S)-1-pyridin-3-ylbutyl]amino}pyrimidin-2-yl)phenyl]urea; Lexibulin (USAN); lexibulin (CYT997); Lexibulin; CYT-997; MLS006011265; CHEMBL552212; SCHEMBL1122311; CHEBI:95005; DTXSID10238675; EX-A2196; NSC758488; s2195; ZINC43024000; AKOS027422819; BCP9000572; CCG-269069; CS-3599; CYT9970000; NSC-758488; QC-8216; NCGC00346574-01; AC-32853; AS-55883; HY-10498; SMR004703016; Urea, N-ethyl-n'-(2-methoxy-4-(5-methyl-4-(((1S)-1-(3-pyridinyl)butyl)amino)-2-pyrimidinyl)phenyl)-; SW220198-1; X7569; C77138; D10073; A857768; J-523569; BRD-K23363278-001-01-3; Q27166766; (S)-1-ethyl-3-(2-methoxy-4-(5-methyl-4-(1-(pyridin-3-yl)butylamino)pyrimidin-2-yl)phenyl)urea; LXL; N-Ethyl-N'-[2-methoxy-4-(5-methyl-4-{[(1S)1-pyridin-3-ylbutyl]amino}pyrimidin-2-yl)phenyl]urea; N-Ethyl-N'-[2-methoxy-4-[5-methyl-4-[[(1S)-1-(3-pyridinyl)butyl]amino]-2-pyrimidinyl]phenyl]urea;Lexibulin"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758488	.	.	.	.	434.5	C24H30N6O2	101	565	3.6	32	3	6	9	"InChI=1S/C24H30N6O2/c1-5-8-19(18-9-7-12-25-15-18)28-22-16(3)14-27-23(30-22)17-10-11-20(21(13-17)32-4)29-24(31)26-6-2/h7,9-15,19H,5-6,8H2,1-4H3,(H2,26,29,31)(H,27,28,30)/t19-/m0/s1"	CCC[C@@H](C1=CN=CC=C1)NC2=NC(=NC=C2C)C3=CC(=C(C=C3)NC(=O)NCC)OC	MTJHLONVHHPNSI-IBGZPJMESA-N
DG64700	"2-[(Z)-6-thiophen-2-ylhex-3-en-1,5-diynyl]benzonitrile"	11357398	NSC725623; NSC-725623	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725623	.	.	.	.	259.3	C17H9NS	52	510	4.4	19	0	2	2	"InChI=1S/C17H9NS/c18-14-16-10-6-5-9-15(16)8-3-1-2-4-11-17-12-7-13-19-17/h1-2,5-7,9-10,12-13H/b2-1-"	C1=CC=C(C(=C1)C#C/C=C\\C#CC2=CC=CS2)C#N	CVNMRRVMSVVLJJ-UPHRSURJSA-N
DG64701	"6-[3-((2,6-dihydro-2,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c] isoquinoline"	11363962	"CHEMBL154599; NSC726332; NSC-726332; 6-[3-((2,6-dihydro-2,3- dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c] isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726332	.	.	.	.	496.5	C26H28N2O8	105	861	1.9	36	1	9	10	"InChI=1S/C26H28N2O8/c1-31-18-8-14-17(11-19(18)32-2)26(30)28(7-5-6-27-12-22(33-3)34-4)24-15-9-20-21(36-13-35-20)10-16(15)25(29)23(14)24/h8-11,22,27H,5-7,12-13H2,1-4H3"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCC(OC)OC)OC	PEKKBCHVPPPQBM-UHFFFAOYSA-N
DG64702	NSC755983	11364421	"4-{[(7r)-8-Cyclopentyl-7-Ethyl-5-Methyl-6-Oxo-5,6,7,8-Tetrahydropteridin-2-Yl]amino}-3-Methoxy-N-(1-Methylpiperidin-4-Yl)benzamide; BI 2536; 755038-02-9; BI-2536; BI2536; UNII-4LJG22T9C6; (R)-BI-2536; 4LJG22T9C6; CHEMBL513909; (R)-4-((8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide; 4-{[(7r)-8-Cyclopentyl-7-Ethyl-5-Methyl-6-Oxo-5,6,7,8-Tetrahydropteridin-2-Yl]amino}-3-Methoxy-N-(1-Methylpiperidin-4-Yl)benzamide; 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide; C28H39N7O3; 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide; US8598172, 5; R78; MLS006011060; SCHEMBL372489; GTPL5666; BDBM25121; AOB1365; DTXSID20226442; SYN1019; BCPP000342; AMY24180; EX-A2350; MFCD10565924; NSC755983; NSC799359; s1109; ZINC13986815; BCP9000402; CCG-264824; CS-0071; EX-8611; NSC-755983; NSC-799359; QC-7262; NCGC00253438-01; 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methyl-4-piperidyl)benzamide; AC-32625; AS-16191; BP-23384; HY-50698; SMR004702852; SW218289-2; X7373; A19139; 038B029; BRD-K64890080-001-01-3; Q27075215; ((R)-4-[(8-Cyclopentyl-7-Et-5,6,7,8-tetrahydro-5-Me-6-oxo-2-pteridinyl)amino]-3-methoxy-N-(1-Me-4-piperidinyl)benzamide; (R)-4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-ylamino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide; 4-((R)-8-Cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-pteridin-2-ylamino)-3-methoxy-N-(1-methyl-piperidin-4-yl)-benzamide; Benzamide, 4-(((7R)-8-cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl)amino)-3-methoxy-N-(1-methyl-4-piperidinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755983	.	.	.	.	521.7	C28H39N7O3	103	816	3.7	38	2	8	7	"InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1"	CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	XQVVPGYIWAGRNI-JOCHJYFZSA-N
DG64703	18-Benzoyloxy-19-benzoylfuranotriptolide	11365101	SCHEMBL12936351; NSC747712; NSC-747712; 18-benzoyloxy-19-benzoylfuranotriptolide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747712	.	.	.	.	568.6	C34H32O8	114	1180	4.9	42	1	8	6	"InChI=1S/C34H32O8/c1-17(2)32-26(41-32)27-34(42-27)31(3)15-14-20-23(21(31)16-22-33(34,40-22)30(32)37)25(24(35)18-10-6-4-7-11-18)38-29(20)39-28(36)19-12-8-5-9-13-19/h4-13,17,21-22,26-27,30,37H,14-16H2,1-3H3/t21-,22-,26-,27-,30+,31-,32-,33+,34+/m0/s1"	CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C(OC(=C6[C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)C(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)C	KVKIMCYNPUCLPB-FZIJBHDVSA-N
DG64704	"4-Imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,2-diol"	11368260	NSC734220; NSC-734220	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734220	.	.	.	.	232.26	C11H8N2O2S	86	266	2.8	16	2	4	1	"InChI=1S/C11H8N2O2S/c14-9-2-1-7(5-10(9)15)8-6-13-3-4-16-11(13)12-8/h1-6,14-15H"	C1=CC(=C(C=C1C2=CN3C=CSC3=N2)O)O	XQIPURLLTAKOMI-UHFFFAOYSA-N
DG64705	"5,11-dioxo-6-(2-amino-1-ethyl)-11H-indeno[1,2-c] isoquinoline hydrochloride"	11370830	"CHEMBL188130; NSC725669; NSC-725669; 5,11-dioxo-6-(2-amino-1-ethyl)-11H-indeno[1,2-c] isoquinoline hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725669	.	.	.	.	326.8	C18H15ClN2O2	63.4	539	.	23	2	3	2	"InChI=1S/C18H14N2O2.ClH/c19-9-10-20-16-12-6-2-3-7-13(12)17(21)15(16)11-5-1-4-8-14(11)18(20)22;/h1-8H,9-10,19H2;1H"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCN.Cl	SVMKVYMGTWVYQV-UHFFFAOYSA-N
DG64706	"6,8-Bis(4-chlorophenyl)imidazo[1,2-a]pyrazine"	11371203	NSC731106; NSC-731106	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731106	.	.	.	.	340.2	C18H11Cl2N3	30.2	392	5.3	23	0	2	2	InChI=1S/C18H11Cl2N3/c19-14-5-1-12(2-6-14)16-11-23-10-9-21-18(23)17(22-16)13-3-7-15(20)8-4-13/h1-11H	C1=CC(=CC=C1C2=CN3C=CN=C3C(=N2)C4=CC=C(C=C4)Cl)Cl	MFEFXLIBUHBLRX-UHFFFAOYSA-N
DG64707	"2,4,7,8,9-Hexamethoxy-11H-indeno[1,2-c]isoquinoline Hydrychloride"	11373887	"CHEMBL360388; SCHEMBL2969570; NSC730924; NSC-730924; 2,4,7,8,9-Hexamethoxy-11H-indeno[1,2-c]isoquinoline Hydrychloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730924	.	.	.	.	433.9	C22H24ClNO6	68.3	549	.	30	1	7	6	"InChI=1S/C22H23NO6.ClH/c1-24-14-8-11-7-13-16-12(9-15(25-2)19(26-3)21(16)28-5)10-23-18(13)17(11)22(29-6)20(14)27-4;/h8-10H,7H2,1-6H3;1H"	COC1=C(C(=C2C(=C1)CC3=C2N=CC4=CC(=C(C(=C34)OC)OC)OC)OC)OC.Cl	ONQZENUQYXYUJM-UHFFFAOYSA-N
DG64708	"6-[(3-Trifluoroacetyl)oxy-1-propyl]-5,3-dimethox y-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinolin e"	11375566	"CHEMBL157061; NSC726972; NSC-726972; 6-[(3-Trifluoroacetyl)oxy-1-propyl]-5,3-dimethox y-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinolin e"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726972	.	.	.	.	505.4	C24H18F3NO8	101	952	3.5	36	0	11	7	"InChI=1S/C24H18F3NO8/c1-32-15-6-11-14(9-16(15)33-2)22(30)28(4-3-5-34-23(31)24(25,26)27)20-12-7-17-18(36-10-35-17)8-13(12)21(29)19(11)20/h6-9H,3-5,10H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCOC(=O)C(F)(F)F)OC	VFWZKRZOYVAGPX-UHFFFAOYSA-N
DG64709	"2,3-Dibenzoyl-4-thioxo-4H-thieno[3,2-c]thiopyran-6,7-dicarboxylic acid diethyl ester"	11376086	"NSC732990; NSC-732990; diethyl 2,2-c]thiopyran-6,7-dicarbo xylate; 2,3-Dibenzoyl-4-thioxo-4H-thieno[3,2-c]thiopyran-6,7-dicarboxylic acid diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732990	.	.	.	.	536.6	C27H20O6S3	172	932	6.2	36	0	9	10	"InChI=1S/C27H20O6S3/c1-3-32-25(30)19-22-18(27(34)36-24(19)26(31)33-4-2)17(20(28)15-11-7-5-8-12-15)23(35-22)21(29)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3"	CCOC(=O)C1=C(SC(=S)C2=C1SC(=C2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C(=O)OCC	SKBMOBHTDOTMBO-UHFFFAOYSA-N
DG64710	"1,8-methylenedioxy-11H-indeno[1,2-c]isoquinoli ne Hydrychloride"	11382758	"CHEMBL188853; SCHEMBL2979641; NSC730923; NSC-730923; 1,8-methylenedioxy-11H-indeno[1,2-c]isoquinoli ne Hydrychloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730923	.	.	.	.	357.8	C19H16ClNO4	49.8	474	.	25	1	5	2	"InChI=1S/C19H15NO4.ClH/c1-21-14-3-4-15(22-2)18-12-5-10-6-16-17(24-9-23-16)7-11(10)19(12)20-8-13(14)18;/h3-4,6-8H,5,9H2,1-2H3;1H"	COC1=C2C=NC3=C(C2=C(C=C1)OC)CC4=CC5=C(C=C43)OCO5.Cl	ZURIWWOSNUKPSV-UHFFFAOYSA-N
DG64711	"5-(2,4-Dichloro-5-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione"	11383327	NSC726616; NSC-726616	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726616	.	.	.	.	377.3	C14H15Cl2FN4OS	63.4	489	3.5	23	0	6	3	"InChI=1S/C14H15Cl2FN4OS/c1-19-2-4-20(5-3-19)8-21-14(23)22-13(18-21)9-6-12(17)11(16)7-10(9)15/h6-7H,2-5,8H2,1H3"	CN1CCN(CC1)CN2C(=S)OC(=N2)C3=CC(=C(C=C3Cl)Cl)F	AKPHPWMTQQJADP-UHFFFAOYSA-N
DG64712	Bafetinib	11387605	"Bafetinib; 859212-16-1; INNO-406; NS-187; UNII-NVW4Z03I9B; INNO406; INNO 406; (S)-N-(3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide; CNS-9; NVW4Z03I9B; CHEMBL206834; 4-[[(3S)-3-DIMETHYLAMINOPYRROLIDIN-1-YL]METHYL]-N-[4-METHYL-3-[(4-PYRIMIDIN-5-YLPYRIMIDIN-2-YL)AMINO]PHENYL]-3-(TRIFLUOROMETHYL)BENZAMIDE; (S)-N-(3-(4,5'-bipyrimidin-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide; N-[3-(4,5'-Bipyrimidin-2-Ylamino)-4-Methylphenyl]-4-{[(3s)-3-(Dimethylamino)pyrrolidin-1-Yl]methyl}-3-(Trifluoromethyl)benzamide; Bafetinib [USAN:INN]; Bafetinib (USAN); NS 187; Bafetinib - INNO-406; GTPL7906; QCR-84; SCHEMBL2684766; SYN1179; DTXSID001006512; BCP22045; EX-A1534; BDBM50178612; NSC788186; NSC799354; s1369; ZINC22940637; CCG-270114; CS-5142; DB11851; NSC-788186; NSC-799354; NCGC00386698-02; NCGC00386698-03; AS-16314; HY-50868; n-(3-((4,5'-bipyrimidin)-2-ylamino)-4-methylphenyl)-4-(((3s)-3-(dimethylamino)-1-pyrrolidinyl)methyl)-3-(trifluoromethyl)benzamide; D10202; D71165; 212D161; Q799775; J-522973; (S)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-N-(4-methyl-3-(4-(pyrimidin-5-yl)pyrimidin-2-ylamino)phenyl)-3-(trifluoromethyl)benzamide; 4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-N-(4-methyl-3-(4-(pyrimidin-5-yl)pyrimidin-2-ylamino)phenyl)-3-(trifluoromethyl)benzamide; Benzamide, N-(3-((4,5'-bipyrimidin)-2-ylamino)-4-methylphenyl)-4-(((3S)-3-(dimethylamino)-1-pyrrolidinyl)methyl)-3-(trifluoromethyl)-; N-[3-(4,5''-BIPYRIMIDIN-2-YLAMINO)-4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN-1-YL]METHYL}-3-(TRIFLUOROMETHYL)BENZAMIDE; N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)-4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN-1-YL]METHYL}-3-(TRIFLUOROMETHYL); N-{3-[([4,5'-Bipyrimidin]-2-yl)amino]-4-methylphenyl}-4-{[3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzene-1-carboximidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788186	.	.	.	.	576.6	C30H31F3N8O	99.2	872	4.2	42	2	11	8	"InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1"	CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CC[C@@H](C3)N(C)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CN=C5	ZGBAJMQHJDFTQJ-DEOSSOPVSA-N
DG64713	"5,9-methylenedioxy-5,11-dioxo-6-propyl-11H-inden o[1,2-c]isoquinoline"	11393445	"CHEMBL362157; NSC722453; NSC-722453; 5,9-methylenedioxy-5,11-dioxo-6-propyl-11H-inden o[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722453	.	.	.	.	333.3	C20H15NO4	55.8	642	3.1	25	0	4	2	"InChI=1S/C20H15NO4/c1-2-7-21-18-13-8-15-16(25-10-24-15)9-14(13)19(22)17(18)11-5-3-4-6-12(11)20(21)23/h3-6,8-9H,2,7,10H2,1H3"	CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC5=C(C=C42)OCO5	PWZSWARFJDGWPT-UHFFFAOYSA-N
DG64714	NSC782886	11400071	"(2R)-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide; SCHEMBL47250; NSC782886; NSC-782886; (2R)-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide; 850355-11-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782886	.	.	.	.	771.9	C43H48F3N5O5	103	1420	5.8	56	1	9	11	"InChI=1S/C43H48F3N5O5/c1-42(51-36(29-56-41(51)55)32-15-7-3-8-16-32)37(19-18-30-12-5-2-6-13-30)50(40(42)54)35(39(53)47-28-31-14-11-17-33(26-31)43(44,45)46)27-38(52)49-24-20-34(21-25-49)48-22-9-4-10-23-48/h2-3,5-8,11-19,26,34-37H,4,9-10,20-25,27-29H2,1H3,(H,47,53)/b19-18+/t35-,36-,37-,42+/m1/s1"	C[C@@]1([C@H](N(C1=O)[C@H](CC(=O)N2CCC(CC2)N3CCCCC3)C(=O)NCC4=CC(=CC=C4)C(F)(F)F)/C=C/C5=CC=CC=C5)N6[C@H](COC6=O)C7=CC=CC=C7	WACWXKFQHHCKNM-MSZJRMABSA-N
DG64715	"6-(Hydroxymethyl)-1,4-anthracenedione"	11402158	"SCHEMBL968293; NSC727285; 6-(hydroxymethyl)-1,4-anthracenedione; NSC-727285; 6-(hydroxymethyl)-1,4-anthracenedione."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727285	.	.	.	.	238.24	C15H10O3	54.4	399	1.8	18	1	3	1	"InChI=1S/C15H10O3/c16-8-9-1-2-10-6-12-13(7-11(10)5-9)15(18)4-3-14(12)17/h1-7,16H,8H2"	C1=CC2=CC3=C(C=C2C=C1CO)C(=O)C=CC3=O	RIEVVLNXNBBIHG-UHFFFAOYSA-N
DG64716	"2-[(Z)-6-thiophen-2-ylhex-3-en-1,5-diynyl]aniline"	11402431	NSC728594; NSC-728594	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728594	.	.	.	.	249.3	C16H11NS	54.3	425	4	18	1	2	2	"InChI=1S/C16H11NS/c17-16-12-6-5-9-14(16)8-3-1-2-4-10-15-11-7-13-18-15/h1-2,5-7,9,11-13H,17H2/b2-1-"	C1=CC=C(C(=C1)C#C/C=C\\C#CC2=CC=CS2)N	AGQIHONMKISVDX-UPHRSURJSA-N
DG64717	"Methyl 1,3-Dimethyl-5-oxo-6-phenyl-5H-pyrrolizine-2-carboxylate"	11403273	"NSC746993; NSC-746993; Methyl 1,3-Dimethyl-5-oxo-6-phenyl-5H-pyrrolizine-2-carboxylate; 1,3-Dimethyl-5-oxo-6-phenyl-5H-pyrrolizine-2-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746993	.	.	.	.	281.3	C17H15NO3	48.3	478	3.1	21	0	3	3	"InChI=1S/C17H15NO3/c1-10-14-9-13(12-7-5-4-6-8-12)16(19)18(14)11(2)15(10)17(20)21-3/h4-9H,1-3H3"	CC1=C2C=C(C(=O)N2C(=C1C(=O)OC)C)C3=CC=CC=C3	GBMHDLBRGXSVSK-UHFFFAOYSA-N
DG64718	4'-Methoxy-alpha-(9H-carbazole-2-yloxy)acetophenone O-methyloxime	11405724	NSC726373; NSC-726373; 4'-Methoxy-alpha-(9H-carbazole-2-yloxy)acetophenone O-methyloxime	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726373	.	.	.	.	360.4	C22H20N2O3	55.8	504	5.3	27	1	4	6	"InChI=1S/C22H20N2O3/c1-25-16-9-7-15(8-10-16)22(24-26-2)14-27-17-11-12-19-18-5-3-4-6-20(18)23-21(19)13-17/h3-13,23H,14H2,1-2H3/b24-22+"	COC1=CC=C(C=C1)/C(=N/OC)/COC2=CC3=C(C=C2)C4=CC=CC=C4N3	JSFZYWQUUVJBAB-ZNTNEXAZSA-N
DG64719	"1-(3,4,5-Trimethoxyphenyl)-2,5-bis(4-methoxyphenyl)-1H-imidazole"	11408209	"NSC735356; NSC-735356; 2,4,5-trimethoxyphenyl)-1H-imida zole; 1-(3,4,5-Trimethoxyphenyl)-2,5-bis(4-methoxyphenyl)-1H-imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735356	.	.	.	.	446.5	C26H26N2O5	64	565	4.9	33	0	6	8	"InChI=1S/C26H26N2O5/c1-29-20-10-6-17(7-11-20)22-16-27-26(18-8-12-21(30-2)13-9-18)28(22)19-14-23(31-3)25(33-5)24(15-19)32-4/h6-16H,1-5H3"	COC1=CC=C(C=C1)C2=CN=C(N2C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=C(C=C4)OC	IPAXFBGCELZYGL-UHFFFAOYSA-N
DG64720	6-Benzyloxy-2-[3-(4-nitrophenyloxycarbonyl)-3-methyl-triazen e-1-yl]-purine	11408262	CHEMBL387940; NSC729970; NSC-729970; 6-benzyloxy-2-[3-(4-nitrophenyloxycarbonyl)-3-methyl-triazen e-1-yl]-purine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729970	.	.	.	.	448.4	C20H16N8O5	164	692	3.9	33	1	10	7	"InChI=1S/C20H16N8O5/c1-27(20(29)33-15-9-7-14(8-10-15)28(30)31)26-25-19-23-17-16(21-12-22-17)18(24-19)32-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,21,22,23,24)/b26-25+"	CN(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])/N=N/C2=NC3=C(C(=N2)OCC4=CC=CC=C4)NC=N3	YUJWQSHNZAQYRG-OCEACIFDSA-N
DG64721	"3-Bromo-4-(3,3-dimethyl-but-1-ynyl)-2(5H)-furanone"	11413833	"NSC726328; NSC-726328; 3-Bromo-4-(3,3-dimethyl-1-butynyl)furan-2(5H)-one; 3-Bromo-4-(3,3-dimethyl-but-1-ynyl)-2(5H)-furanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726328	.	.	.	.	243.1	C10H11BrO2	26.3	333	2.7	13	0	2	2	"InChI=1S/C10H11BrO2/c1-10(2,3)5-4-7-6-13-9(12)8(7)11/h6H2,1-3H3"	CC(C)(C)C#CC1=C(C(=O)OC1)Br	FGQJABGBZLBMMZ-UHFFFAOYSA-N
DG64722	Verubulin	11414799	"Verubulin; 827031-83-4; N-(4-Methoxyphenyl)-N,2-dimethylquinazolin-4-amine; Azixa; MPC 6827; MPC-6827; UNII-X97O9FTB92; MX-128495; MPC-6827 (hydrochloride); X97O9FTB92; Verubulin (hydrochloride); N-(4-methoxyphenyl)-N,2-dimethyl-quinazolin-4-amine; Verubulin [USAN:INN]; Verubulin, MPC-6827; Verubulin (USAN/INN); CHEMBL492399; SCHEMBL2232326; AMY32185; BCP09127; CIB03183; 2781AC; BDBM50557539; NSC758773; ZINC35978229; AKOS015994561; DB05585; EE-0048; NSC-758773; SB19790; NCGC00387248-01; AC-25267; HY-14907; DB-075865; CS-0003626; FT-0703165; D10029; A864363; N-(4-methoxyphenyl)-N,2-dimethyl-4-Quinazolinamine; N-(4-Methoxyphenyl)-N,2-dimethylquinazoline-4-amine; Q27293718; (4-Methoxyphenyl)(methyl)(2-methylquinazolin-4-yl)amine; 88U"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758773	.	.	.	.	279.34	C17H17N3O	38.2	330	3.9	21	0	4	3	"InChI=1S/C17H17N3O/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13/h4-11H,1-3H3"	CC1=NC2=CC=CC=C2C(=N1)N(C)C3=CC=C(C=C3)OC	SNHCRNMVYDHVDT-UHFFFAOYSA-N
DG64723	Enigmol	11415391	"Enigmol; (2S,3S,5S)-2-aminooctadecane-3,5-diol; 2S-aminooctadecane-3S,5S-diol; S,S-Enigmol; CHEMBL1951761; SCHEMBL12126896; CHEBI:179061; LMSP01080058; NSC740932; NSC743820; NSC-740932; NSC-743820; (2S,5S)-2-amino-3,5-octadecanediol; (2S,5S)-2-aminooctadecane-3,5-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740932	.	.	.	.	301.5	C18H39NO2	66.5	211	5.5	21	3	3	15	"InChI=1S/C18H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(20)15-18(21)16(2)19/h16-18,20-21H,3-15,19H2,1-2H3/t16-,17-,18-/m0/s1"	CCCCCCCCCCCCC[C@@H](C[C@@H]([C@H](C)N)O)O	CILLLUONWCSDCK-BZSNNMDCSA-N
DG64724	[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-piperazin-1-ylmethanone	11427553	"KW-2449; 1000669-72-6; KW 2449; KW2449; (E)-(4-(2-(1H-indazol-3-yl)vinyl)phenyl)(piperazin-1-yl)methanone; [4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-piperazin-1-ylmethanone; 841258-76-2; UNII-2D9N67F58G; CHEMBL1908397; 2D9N67F58G; Methanone, [4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1-piperazinyl-; Methanone, (4-(2-(1H-indazol-3-yl)ethenyl)phenyl)-1-piperazinyl-; KW-2449 Hydrochloride; MLS006011271; GTPL5691; SCHEMBL1596894; SCHEMBL1596897; CHEBI:91441; [4-[2-(1H-Indazol-3-yl)ethenyl]phenyl]-1-piperazinylmethanone; BCP02848; EX-A2306; 897016-82-9 (free base); BDBM50355496; MFCD18385006; NSC759675; NSC800778; s2158; ZINC43201999; AKOS027460993; BCP9000826; CCG-267833; CS-0231; NSC-759675; NSC-800778; NCGC00346569-07; AC-28419; AS-71712; HY-10339; SMR004703021; SW219852-1; X7371; H11584; J-502761; (E)-1-{4-[2-(1H-indazol-3-yl)vinyl]benzoyl}piperazine; (4-(2-(1H-Indazol-3-yl)vinyl)phenyl)(piperazin-1-yl)methanone; 3-{2-[4-(PIPERAZINE-1-CARBONYL)PHENYL]ETHENYL}-1H-INDAZOLE; Piperazine, 1-(4-((1E)-2-(1H-indazol-3-yl)ethenyl)benzoyl)-; (4-((1E)-2-(1H-Indazol-3-yl)ethenyl)phenyl)-1-piperazinylmethanone; 3-[(E)-2-{4-[(piperazin-1-yl)carbonyl]phenyl}ethenyl]-2H-indazole; 841259-17-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759675	.	.	.	.	332.4	C20H20N4O	61	480	2.7	25	2	3	3	"InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+"	C1CN(CCN1)C(=O)C2=CC=C(C=C2)/C=C/C3=NNC4=CC=CC=C43	YYLKKYCXAOBSRM-JXMROGBWSA-N
DG64725	"5,11-dioxo-6-(3-amino-1-propyl)-11H-indeno[1,2-c]isoquinoline hydrochloride"	11427798	"CHEMBL333363; NSC725671; NSC-725671; 5,11-dioxo-6-(3-amino-1-propyl)-11H-indeno[1,2-c ]isoquinoline hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725671	.	.	.	.	340.8	C19H17ClN2O2	63.4	554	.	24	2	3	3	"InChI=1S/C19H16N2O2.ClH/c20-10-5-11-21-17-13-7-2-3-8-14(13)18(22)16(17)12-6-1-4-9-15(12)19(21)23;/h1-4,6-9H,5,10-11,20H2;1H"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN.Cl	XRCVODXFYLKFSO-UHFFFAOYSA-N
DG64726	"2,8-methylenedioxy-11H-indeno[1,2-c]isoqu inoline Hydrychloride"	11427824	"CHEMBL364009; SCHEMBL2982076; NSC730920; NSC-730920; 2,8-methylenedioxy-11H-indeno[1,2-c]isoqu inoline Hydrychloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730920	.	.	.	.	341.7	C18H12ClNO4	49.8	488	.	24	1	5	0	"InChI=1S/C18H11NO4.ClH/c1-9-2-14-17(23-7-20-14)5-12(9)18-13(1)11-4-16-15(21-8-22-16)3-10(11)6-19-18;/h2-6H,1,7-8H2;1H"	C1C2=CC3=C(C=C2C4=C1C5=CC6=C(C=C5C=N4)OCO6)OCO3.Cl	UVXHFVMFUKOCJH-UHFFFAOYSA-N
DG64727	nutlin-3A	11433190	"nutlin-3A; 675576-98-4; Nutlin 3a; Nutlin-3a chiral; (-)-Nutlin-3; 4-[[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]-2-Piperazinone; UNII-L7C92IOE65; nutlin 3; 4-((4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-2-one; CHEMBL191334; L7C92IOE65; 548472-68-0 (4R5S, and 4S5R); (+/-)-4-[4,5-bis-(4-chlorophenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-2-one; 4-[(4S,5R)-4,5-Bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one; ( )-Nutlin-3; C30H30Cl2N4O4; MFCD14636430; Nutlin3a; Nutlin (3a); 4hg7; 4j3e; (4S,5R)-Nutlin-3; Nutlin-3, (-)-; SCHEMBL1155752; CHEBI:95096; HMS3649P17; Nutlin-3a, >=98% (HPLC); EX-A1359; 1960AH; 2603AH; BDBM50229787; NSC756875; NSC756876; NSC763443; s8059; ZINC16051336; AKOS027422740; BCP9001003; CS-0296; NSC 732664; NSC-756875; NSC-756876; NSC-763443; NCGC00344347-05; 2-Piperazinone, 4-(((4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-(4-methoxy-2-(1-methylethoxy)phenyl)-1H-imidazol-1-yl)carbonyl)-; AS-75148; HY-10029; SR-01000946691; SR-01000946691-1; Q27166862; 675576-98-4 (4S5R); UNII-53IA0V845C component BDUHCSBCVGXTJM-WUFINQPMSA-N; (rac)-(4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl)(piperazin-1-yl)methanone; 4-(4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4, 5-dihydro-1H-imidazole-1-carbonyl)piperazin-2-one; 4-[(4s,5r)-4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-2-one; 4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazole-1-carbonyl]piperazin-2-one; 4-[(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-2-one; rac-4-(4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756876	.	.	.	.	581.5	C30H30Cl2N4O4	83.5	919	5.2	40	1	5	6	"InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1"	CC(C)OC1=C(C=CC(=C1)OC)C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-WUFINQPMSA-N
DG64728	3-Chloro-4-phenylethynyl-5H-furan-2-one	11435928	NSC728554; NSC-728554; 3-Chloro-4-phenylethynyl-5H-furan-2-one; 3-Chloro-4-(phenylethynyl)furan-2(5H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728554	.	.	.	.	218.63	C12H7ClO2	26.3	364	2.6	15	0	2	2	"InChI=1S/C12H7ClO2/c13-11-10(8-15-12(11)14)7-6-9-4-2-1-3-5-9/h1-5H,8H2"	C1C(=C(C(=O)O1)Cl)C#CC2=CC=CC=C2	VSSFJKNOZZWLPP-UHFFFAOYSA-N
DG64729	"2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine"	11436194	NSC731647; NSC-731647	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731647	.	.	.	.	232.24	C14H8N4	51.6	374	0.8	18	0	4	2	"InChI=1S/C14H8N4/c1(3-5-13-11-15-7-9-17-13)2-4-6-14-12-16-8-10-18-14/h1-2,7-12H/b2-1-"	C1=CN=C(C=N1)C#C/C=C\\C#CC2=NC=CN=C2	UMZOOOHWQLIHOG-UPHRSURJSA-N
DG64730	"6-(2,5-Dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde"	11436870	NSC734218; NSC-734218	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734218	.	.	.	.	260.269	C12H8N2O3S	103	330	2.6	18	2	5	2	"InChI=1S/C12H8N2O3S/c15-6-9-11(13-12-14(9)3-4-18-12)8-5-7(16)1-2-10(8)17/h1-6,16-17H"	C1=CC(=C(C=C1O)C2=C(N3C=CSC3=N2)C=O)O	MTECPXPMODJYGS-UHFFFAOYSA-N
DG64731	Danusertib	11442891	"Danusertib; 827318-97-8; PHA-739358; Danusertib (PHA-739358); PHA 739358; (R)-N-(5-(2-methoxy-2-phenylacetyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamide; UNII-M3X659D0FY; PHA739358; CHEMBL402548; M3X659D0FY; MMV676600; N-[5-((2R)-2-Methoxy-2-phenylethanoyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide; Danusertib [INN]; Danusertib, PHA-739358; 5-Amido-pyrrolopyrazole 9d; (R)-N-(5-(2-Methoxy-2-phenylacetyl)-1,4,5,6-tetrahydropyrrolo-[3,4-c]pyrazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamide; N-{5-[(2R)-2-methoxy-2-phenylethanoyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide; PHA-739358,Danusertib; MLS006011243; Danusertib; PHA-739358; SCHEMBL466509; PHA-739358 (danusertib); GTPL7937; Danusertib - PHA-739358; BDBM12985; CHEBI:94490; SYN1095; 2j50; BCPP000266; DTXSID301002864; BCP01750; EX-A1599; N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide; ZINC6718723; MFCD12024692; NSC784415; NSC800086; AKOS015896691; AKOS015995140; AC-8443; BCP9000582; CCG-264823; CS-0152; DB11778; NSC-784415; NSC-800086; PHA-739358;; NCGC00263203-01; NCGC00263203-02; AS-16243; HY-10179; N-(5-((2R)-2-methoxy-2-phenylacetyl)-1,4,5,6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamide; SMR004700684; S1107; SW219462-1; X7370; EC-000.2352; A24232; 995M512; SR-05000022541; J-502504; SR-05000022541-1; BRD-K07881437-001-01-2; Q27076981; (S)-N-(5-(2-methoxy-2-phenylacetyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamide; Benzamide, 4-(4-methyl-1-piperazinyl)-N-(1,4,5,6-tetrahydro-5-((2R)-     methoxyphenylacetyl)pyrrolo(3,4-c)pyrazol-3-yl)-; N-[5-((2R)-2-Methoxy-2-phenylethanoyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide, 95%; N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide; N-{5-[(2R)-2-methoxy-2-phenylacetyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide; N-{5-[Methoxy(phenyl)acetyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzene-1-carboximidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	784415	.	.	.	.	474.6	C26H30N6O3	93.8	731	1.8	35	2	6	6	"InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1"	CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NNC4=C3CN(C4)C(=O)[C@@H](C5=CC=CC=C5)OC	XKFTZKGMDDZMJI-HSZRJFAPSA-N
DG64732	Flavenochromane C	11451469	Flavenochromane C; NSC734926; NSC-734926	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734926	.	.	.	.	368.4	C21H20O6	85.2	618	3.6	27	2	6	2	"InChI=1S/C21H20O6/c1-21(2)9-8-13-14(27-21)10-15(25-3)16-17(23)18(24)19(26-20(13)16)11-4-6-12(22)7-5-11/h4-7,10,22,24H,8-9H2,1-3H3"	CC1(CCC2=C3C(=C(C=C2O1)OC)C(=O)C(=C(O3)C4=CC=C(C=C4)O)O)C	FHQZGKHNFJNQLJ-UHFFFAOYSA-N
DG64733	"12-(2'-Aminoethylidene)-5,11-diketo-2,3-dimethox y-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline"	11452147	"NSC725665; NSC-725665; 12-(2'-Aminoethylidene)-5,11-diketo-2,3-dimethox y-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725665	.	.	.	.	392.4	C22H20N2O5	83.2	750	1.3	29	1	6	3	"InChI=1S/C22H20N2O5/c1-24-21-14-8-19-18(28-10-29-19)6-12(14)11(4-5-23)20(21)13-7-16(26-2)17(27-3)9-15(13)22(24)25/h4,6-9H,5,10,23H2,1-3H3/b11-4+"	CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)/C(=C/CN)/C4=CC5=C(C=C42)OCO5	XDEBOWRGDIIBAU-NYYWCZLTSA-N
DG64734	Dihydropyridone indazole amide 13	11453116	"dihydropyridone indazole amide 13; GSK466314A; CHEMBL218720; SCHEMBL3883547; BDBM14053; HMS3303H03; HMS3305I09; NSC756174; NSC-756174; NCGC00241927-01; AB01092189-01; 2-Methyl-N-(3-methyl-1H-indazol-5-yl)-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydro-3-pyridinecarboxamide; 2-methyl-N-(3-methyl-1H-indazol-5-yl)-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756174	.	.	.	.	428.4	C22H19F3N4O2	86.9	746	3.2	31	3	6	3	"InChI=1S/C22H19F3N4O2/c1-11-16-9-15(7-8-18(16)29-28-11)27-21(31)20-12(2)26-19(30)10-17(20)13-3-5-14(6-4-13)22(23,24)25/h3-9,17H,10H2,1-2H3,(H,26,30)(H,27,31)(H,28,29)"	CC1=C2C=C(C=CC2=NN1)NC(=O)C3=C(NC(=O)CC3C4=CC=C(C=C4)C(F)(F)F)C	HKWUUOHQLQALHL-UHFFFAOYSA-N
DG64735	"N-(3-Methoxyphenethyl)-3,3,3-triphenylpropionamide"	11453337	"SCHEMBL13569355; NSC730691; NSC-730691; N-(3-Methoxyphenethyl)-3,3,3-triphenylpropionamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730691	.	.	.	.	435.6	C30H29NO2	38.3	526	6.5	33	1	2	9	"InChI=1S/C30H29NO2/c1-33-28-19-11-12-24(22-28)20-21-31-29(32)23-30(25-13-5-2-6-14-25,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-19,22H,20-21,23H2,1H3,(H,31,32)"	COC1=CC=CC(=C1)CCNC(=O)CC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4	ATYCXXPKHGTIRN-UHFFFAOYSA-N
DG64736	Phomopsolide D	11460721	"Phomopsolide D; 6,7-dihydrophomopsolide B; CHEMBL512404; NSC740602; NSC-740602"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740602	.	.	.	.	298.33	C15H22O6	93.1	439	1.3	21	2	6	7	"InChI=1S/C15H22O6/c1-4-9(2)15(19)21-13-7-8-14(18)20-12(13)6-5-11(17)10(3)16/h4,7-8,10-13,16-17H,5-6H2,1-3H3/b9-4+/t10-,11-,12-,13-/m0/s1"	C/C=C(\\C)/C(=O)O[C@H]1C=CC(=O)O[C@H]1CC[C@@H]([C@H](C)O)O	ZFVYHTGRRBKBJE-BUEHMHBYSA-N
DG64737	"2,2'-[1,2-Phenylenebis(2,1-ethynediyl)]bispyrazine"	11471574	"NSC728063; NSC-728063; 2,2'-[1,2-Phenylenebis(2,1-ethynediyl)]bispyrazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728063	.	.	.	.	282.3	C18H10N4	51.6	442	1.8	22	0	4	4	"InChI=1S/C18H10N4/c1-2-4-16(6-8-18-14-20-10-12-22-18)15(3-1)5-7-17-13-19-9-11-21-17/h1-4,9-14H"	C1=CC=C(C(=C1)C#CC2=NC=CN=C2)C#CC3=NC=CN=C3	JCOXWRIPTHFQGY-UHFFFAOYSA-N
DG64738	Nvp-aew541	11476171	"NVP-AEW541; 475489-16-8; AEW541; 475488-34-7; AEW-541; AVP-AEW541; NVP-AEW 541; AEW-541 free base; UNII-97QB5037VR; AEW 541; 7-((1s,3s)-3-(azetidin-1-ylmethyl)cyclobutyl)-5-(3-(benzyloxy)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine; 7-[TRANS-3-(1-AZETIDINYLMETHYL)CYCLOBUTYL]-5-[3-(PHENYLMETHOXY)PHENYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE; CHEMBL1614712; 97QB5037VR; 475488-34-7 (free base); 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine; 7-[cis-3-(Azetidin-1-Ylmethyl)cyclobutyl]-5-[3-(Benzyloxy)phenyl]-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine; C27H29N5O; [7-[cis-3-[(Azetidin-1-yl)methyl]cyclobutyl]-5-(3-benzyloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine; 7-((1r,3r)-3-(azetidin-1-ylmethyl)cyclobutyl)-5-(3-(benzyloxy)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine; NVP AEW541; NVP-AEW541-A; SCHEMBL94862; NVP-AEW-541; GTPL8067; SCHEMBL1441421; SCHEMBL1987652; CHEMBL3188172; DTXSID60467110; EX-A474; BCPP000146; BDBM185145; HMS3654O07; BCP02417; BDBM50157879; MFCD22741515; NSC767006; NSC799326; s1034; ZINC63308092; AKOS032947252; ZINC100073728; ZINC101793481; BCP9001006; CCG-269117; CS-0448; NSC-767006; NSC-799326; PB19343; SB20027; NCGC00346461-01; NCGC00386199-02; 7-[trans-3-[(Azetidin-1-yl)methyl]cyclobutyl]-5-(3-benzyloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine; 7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE, 7-[CIS-3-(1-AZETIDINYLMETHYL)CYCLOBUTYL]-5-[3-(PHENYLMETHOXY)PHENYL]-; AC-32800; AS-77237; HY-50866; CS-0006275; FT-0698451; FT-0744338; SW219740-1; Y0269; A900719; J-519063; Q27088111; Q27272024; Q27456231; 66A; 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(phenylmethoxy)phenyl]pyrrolo[3,2-e]pyrimidin-4-amine; 7H-Pyrrolo[2,3-d]pyriMidin-4-aMine,7-[trans-3-(1-azetidinylMethyl)cyclobutyl]-5-[3-(phenylMethoxy)phenyl]-; cis-7-(3-azetidin-1-ylmethyl-cyclobutyl)-5-(3-benzyloxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767006	.	.	.	.	439.6	C27H29N5O	69.2	632	4.2	33	1	5	7	"InChI=1S/C27H29N5O/c28-26-25-24(21-8-4-9-23(14-21)33-17-19-6-2-1-3-7-19)16-32(27(25)30-18-29-26)22-12-20(13-22)15-31-10-5-11-31/h1-4,6-9,14,16,18,20,22H,5,10-13,15,17H2,(H2,28,29,30)"	C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6	AECDBHGVIIRMOI-UHFFFAOYSA-N
DG64739	"6-(4-Methoxyphenyl)-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine"	11484463	"NSC731105; NSC-731105; 6-(4-Methoxyphenyl)-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731105	.	.	.	.	335.8	C19H14ClN3O	39.4	407	4.6	24	0	3	3	"InChI=1S/C19H14ClN3O/c1-24-16-8-4-13(5-9-16)17-12-23-11-10-21-19(23)18(22-17)14-2-6-15(20)7-3-14/h2-12H,1H3"	COC1=CC=C(C=C1)C2=CN3C=CN=C3C(=N2)C4=CC=C(C=C4)Cl	QAXLOTZYAKIOGP-UHFFFAOYSA-N
DG64740	"3-(3,4,5-Trimethoxyphenyl)-4-(phenylethynyl)furan-2(5H)-one"	11484899	"NSC728553; NSC-728553; 4-Phenylethynyl-3-(3,5-trimethoxy-phenyl)-5H-furan-2-one; 3-(3,4,5-Trimethoxyphenyl)-4-(phenylethynyl)furan-2(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728553	.	.	.	.	350.4	C21H18O5	54	590	3.3	26	0	5	6	"InChI=1S/C21H18O5/c1-23-17-11-16(12-18(24-2)20(17)25-3)19-15(13-26-21(19)22)10-9-14-7-5-4-6-8-14/h4-8,11-12H,13H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2=C(COC2=O)C#CC3=CC=CC=C3	DTUANMIMLOOHGH-UHFFFAOYSA-N
DG64741	"tert-butyl N-[4-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)butyl]carbamate"	11486911	"NSC726768; NSC-726768; 5,11- dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726768	.	.	.	.	418.5	C25H26N2O4	75.7	766	3.8	31	1	4	7	"InChI=1S/C25H26N2O4/c1-25(2,3)31-24(30)26-14-8-9-15-27-21-17-11-5-6-12-18(17)22(28)20(21)16-10-4-7-13-19(16)23(27)29/h4-7,10-13H,8-9,14-15H2,1-3H3,(H,26,30)"	CC(C)(C)OC(=O)NCCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42	OLWVGPOKDFWYTB-UHFFFAOYSA-N
DG64743	"2-Benzylthio-5-carbamoyl-4-chloro-N-(5,2,4-tria zin-3-yl)benzene-sulfonamide"	11490199	"NSC728503; NSC-728503; 2-Benzylthio-5-carbamoyl-4-chloro-N-(5,2,4-tria zin-3-yl)benzene-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728503	.	.	.	.	588.1	C29H22ClN5O3S2	162	919	4.9	40	2	8	9	"InChI=1S/C29H22ClN5O3S2/c30-23-17-24(39-18-19-10-4-1-5-11-19)25(16-22(23)28(31)36)40(37,38)35-29-32-26(20-12-6-2-7-13-20)27(33-34-29)21-14-8-3-9-15-21/h1-17H,18H2,(H2,31,36)(H,32,34,35)"	C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C(=O)N)S(=O)(=O)NC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5	XYWJTRWORNLFNS-UHFFFAOYSA-N
DG64745	N-(2-aminophenyl)-4-(3-benzamidoprop-1-en-2-yl)benzamide	11494465	SCHEMBL4898000; NSC733255; NSC-733255	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733255	.	.	.	.	371.4	C23H21N3O2	84.2	548	3.9	28	3	3	6	"InChI=1S/C23H21N3O2/c1-16(15-25-22(27)18-7-3-2-4-8-18)17-11-13-19(14-12-17)23(28)26-21-10-6-5-9-20(21)24/h2-14H,1,15,24H2,(H,25,27)(H,26,28)"	C=C(CNC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N	NHODPVPENYYXMI-UHFFFAOYSA-N
DG64746	Cyanoaminopyranopyridine derivatives	11494577	cyanoaminopyranopyridine derivatives; NSC731527; NSC-731527	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731527	.	.	.	.	377.4	C21H16FN3O3	90.4	599	3.6	28	1	7	3	"InChI=1S/C21H16FN3O3/c1-26-17-5-3-11(7-18(17)27-2)19-14(9-23)21(24)25-20-13-8-12(22)4-6-16(13)28-10-15(19)20/h3-8H,10H2,1-2H3,(H2,24,25)"	COC1=C(C=C(C=C1)C2=C3COC4=C(C3=NC(=C2C#N)N)C=C(C=C4)F)OC	VUDZKZYXJJIUPC-UHFFFAOYSA-N
DG64747	"1[(4-n-butyloxyCarbonyl)piperazine-1-yl]diazene-1-ium-1,2-di olate"	11495269	"NSC731701; NSC-731701; 1[(4-n-butyloxyCarbonyl)piperazine-1-yl]diazene-1-ium-1,2-di olate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731701	.	.	.	.	412.35	C15H20N6O8	175	613	2.9	29	0	10	7	"InChI=1S/C15H20N6O8/c1-2-3-10-28-15(22)17-6-8-18(9-7-17)21(27)16-29-14-5-4-12(19(23)24)11-13(14)20(25)26/h4-5,11H,2-3,6-10H2,1H3/b21-16-"	CCCCOC(=O)N1CCN(CC1)/[N+](=N/OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/[O-]	YAIVARQXVANOGR-PGMHBOJBSA-N
DG64748	"1-[(4-n-Propylcarbonyl)piperazine-1-yl]diazen-1-ium-1,2-diol ate"	11502167	"CHEMBL515670; NSC731699; NSC-731699; NCGC00168164-01; 1-[(4-n-Propylcarbonyl)piperazine-1-yl]diazen-1-ium-1,2-diol ate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731699	.	.	.	.	398.33	C14H18N6O8	175	598	2.6	28	0	10	6	"InChI=1S/C14H18N6O8/c1-2-9-27-14(21)16-5-7-17(8-6-16)20(26)15-28-13-4-3-11(18(22)23)10-12(13)19(24)25/h3-4,10H,2,5-9H2,1H3/b20-15-"	CCCOC(=O)N1CCN(CC1)/[N+](=N/OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/[O-]	DDMQMEHUBDWPBT-HKWRFOASSA-N
DG64749	"2,6-Bis(benzylamino)-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile"	11503312	NSC734409; NSC-734409	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734409	.	.	.	.	449.9	C27H20ClN5	84.5	642	7.3	33	2	5	7	"InChI=1S/C27H20ClN5/c28-22-13-11-21(12-14-22)25-23(15-29)26(31-17-19-7-3-1-4-8-19)33-27(24(25)16-30)32-18-20-9-5-2-6-10-20/h1-14H,17-18H2,(H2,31,32,33)"	C1=CC=C(C=C1)CNC2=C(C(=C(C(=N2)NCC3=CC=CC=C3)C#N)C4=CC=C(C=C4)Cl)C#N	PMRFLLWOUDZIAB-UHFFFAOYSA-N
DG64750	"2-amino-4-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile"	11509076	NSC733012; NSC-733012	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733012	.	.	.	.	376.2	C16H15Cl2N7	103	506	4.3	25	2	7	4	"InChI=1S/C16H15Cl2N7/c17-12-4-3-5-13(18)11(12)9-21-24-14-10(8-19)15(23-16(20)22-14)25-6-1-2-7-25/h3-5,9H,1-2,6-7H2,(H3,20,22,23,24)/b21-9+"	C1CCN(C1)C2=NC(=NC(=C2C#N)N/N=C/C3=C(C=CC=C3Cl)Cl)N	VHSIJSGWZJPKSG-ZVBGSRNCSA-N
DG64751	"1,7-Dichloro-3-(4-methyloxycarbonyl)p henyl quinoxaline"	11509356	"CHEMBL468284; NSC726185; NSC-726185; 1,7-dichloro-3-(4-methyloxycarbonyl)p henyl quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726185	.	.	.	.	390.2	C17H9Cl2N3O4	96.5	681	2.7	26	0	6	3	"InChI=1S/C17H9Cl2N3O4/c1-26-17(23)10-4-2-9(3-5-10)16-15(8-20)21(24)13-6-11(18)12(19)7-14(13)22(16)25/h2-7H,1H3"	COC(=O)C1=CC=C(C=C1)C2=C([N+](=O)C3=CC(=C(C=C3N2[O-])Cl)Cl)C#N	AEVGAMRENPQRCY-UHFFFAOYSA-N
DG64752	"(Z)-[5-(3-carboxyanilino)-2,4-dinitrophenoxy]imino-(dimethylamino)-oxidoazanium"	11509692	CHEMBL202300; NSC731706; NSC-731706	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731706	.	.	.	.	406.31	C15H14N6O8	195	648	3.6	29	2	11	6	"InChI=1S/C15H14N6O8/c1-18(2)21(28)17-29-14-7-11(12(19(24)25)8-13(14)20(26)27)16-10-5-3-4-9(6-10)15(22)23/h3-8,16H,1-2H3,(H,22,23)/b21-17-"	CN(C)/[N+](=N/OC1=C(C=C(C(=C1)NC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-])/[O-]	JMWYZQWHCQIRKO-FXBPSFAMSA-N
DG64754	"AG 490, m-CF3"	11516050	"AG490,m-CF3; AG 490, m-CF3; NSC722757; ZINC31812903; NSC-722757"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722757	.	.	.	.	362.3	C18H13F3N2O3	93.4	582	3.2	26	3	7	4	"InChI=1S/C18H13F3N2O3/c19-18(20,21)14-3-1-2-12(7-14)10-23-17(26)13(9-22)6-11-4-5-15(24)16(25)8-11/h1-8,24-25H,10H2,(H,23,26)/b13-6+"	C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N	CBZPIGMULPRVPO-AWNIVKPZSA-N
DG64755	"2-amino-4-(4-chlorophenyl)-6-oxo-1-[(E)-1-pyridin-4-ylethylideneamino]pyridine-3,5-dicarbonitrile"	11516616	NSC734788; NSC-734788	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734788	.	.	.	.	388.8	C20H13ClN6O	119	840	2.4	28	1	6	3	"InChI=1S/C20H13ClN6O/c1-12(13-6-8-25-9-7-13)26-27-19(24)16(10-22)18(17(11-23)20(27)28)14-2-4-15(21)5-3-14/h2-9H,24H2,1H3/b26-12+"	C/C(=N\\N1C(=C(C(=C(C1=O)C#N)C2=CC=C(C=C2)Cl)C#N)N)/C3=CC=NC=C3	LTUXUHKNXSJGLQ-RPPGKUMJSA-N
DG64756	N-(2-Amino-phenyl)-4-{1-[4-(3-chloro-4-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide	11518347	SCHEMBL4892032; NSC735405; NSC-735405; n-(2-aminophenyl)-4-(1-{[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]methyl}vinyl)benzamide; N-(2-Amino-phenyl)-4-{1-[4-(3-chloro-4-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735405	.	.	.	.	465	C26H26ClFN4O	61.6	663	5.3	33	2	5	6	"InChI=1S/C26H26ClFN4O/c1-18(17-31-12-14-32(15-13-31)21-10-11-23(28)22(27)16-21)19-6-8-20(9-7-19)26(33)30-25-5-3-2-4-24(25)29/h2-11,16H,1,12-15,17,29H2,(H,30,33)"	C=C(CN1CCN(CC1)C2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N	MSKFDACWWCUNHV-UHFFFAOYSA-N
DG64757	"Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline)-6-propylamino}propane Bis(trifluoroacetate)"	11520587	"CHEMBL2057323; NSC727357; NSC-727357; Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline)-6-propylamino}propane Bis(trifluoroacetate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727357	.	.	.	.	762.8	C43H37F3N4O6	136	1370	.	56	3	11	12	"InChI=1S/C41H36N4O4.C2HF3O2/c46-38-30-16-5-3-14-28(30)36-34(38)26-12-1-7-18-32(26)40(48)44(36)24-10-22-42-20-9-21-43-23-11-25-45-37-29-15-4-6-17-31(29)39(47)35(37)27-13-2-8-19-33(27)41(45)49;3-2(4,5)1(6)7/h1-8,12-19,42-43H,9-11,20-25H2;(H,6,7)"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCCNCCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O	LFBROBFDCPLXOA-UHFFFAOYSA-N
DG64758	Ridaforolimus	11520894	"Ridaforolimus; Deforolimus; AP23573; MK-8669; 572924-54-0; Taltorvic; AP-23573; UNII-48Z35KB15K; 48Z35KB15K; AP 23573; CHEBI:79700; MK 8669; Ridaforolimus (Deforolimus, MK-8669); Deforolimus (MK-8669); Ridaforolimus [USAN:INN]; Ridaforolimus (MK-8669); GTPL7884; SCHEMBL7719298; CHEMBL2103839; C53H84NO14P; MK8669; NSC757440; Rapamycin, 42-(dimethylphosphinate); s1022; ZINC169677038; CCG-270602; CS-0122; DB06233; NSC-757440; NCGC00346481-02; HY-50908; Rapamycin, 42- (dimethylphosphinate ) (9CI); Deforolimus,Ridaforolimus, AP23573, MK-8669; 924D540; Q2151796; BRD-K62304154-001-04-2; Deforolimus; ; ; AP-23573; ; ; MK-8669; ; ; Rapamycin 42-(dimethylphosphinate); (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-12-((1R)-2- ((1S,3R,4R)-4-((Dimethylphosphinoyl)oxy)-3-methoxycyclohexyl)-1-methylethyl)-1,18- dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4- azatricyclo(30.3.1.04,9)hexatriaconta-16,24,26,28-tetraene- 2,3,10,14,20-pentone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757440	.	.	.	.	990.2	C53H84NO14P	202	1940	5.9	69	2	14	8	"InChI=1S/C53H84NO14P/c1-32-18-14-13-15-19-33(2)44(63-8)30-40-23-21-38(7)53(61,67-40)50(58)51(59)54-25-17-16-20-41(54)52(60)66-45(35(4)28-39-22-24-43(46(29-39)64-9)68-69(11,12)62)31-42(55)34(3)27-37(6)48(57)49(65-10)47(56)36(5)26-32/h13-15,18-19,27,32,34-36,38-41,43-46,48-49,57,61H,16-17,20-26,28-31H2,1-12H3/b15-13+,18-14+,33-19+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1"	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OP(=O)(C)C)C)/C)O)OC)C)C)/C)OC	BUROJSBIWGDYCN-GAUTUEMISA-N
DG64759	1-[4-[(6-Methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone	11523527	NSC727472; NSC-727472	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727472	.	.	.	.	368.4	C24H20N2O2	51.2	511	5	28	1	4	5	"InChI=1S/C24H20N2O2/c1-16(27)17-8-10-19(11-9-17)25-24-15-23(18-6-4-3-5-7-18)26-22-13-12-20(28-2)14-21(22)24/h3-15H,1-2H3,(H,25,26)"	CC(=O)C1=CC=C(C=C1)NC2=CC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4	REFRFEOKNCSIRR-UHFFFAOYSA-N
DG64760	Yieldene malononitrile	11528605	yieldene malononitrile; NSC731294; NSC-731294	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731294	.	.	.	.	214.19	C12H7FN2O	56.8	393	1.7	16	0	4	0	"InChI=1S/C12H7FN2O/c13-9-1-2-12-11(5-9)10(3-4-16-12)8(6-14)7-15/h1-2,5H,3-4H2"	C1COC2=C(C1=C(C#N)C#N)C=C(C=C2)F	SZLMFXYGKQPTOK-UHFFFAOYSA-N
DG64761	Pyridone-4-CH3	11530049	Pyridone-4-CH3; NSC729297; NSC-729297	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729297	.	.	.	.	332.3	C20H13FN2O2	62.1	694	2.5	25	1	4	1	"InChI=1S/C20H13FN2O2/c1-11-2-4-12(5-3-11)18-15(9-22)20(24)23-19-14-8-13(21)6-7-17(14)25-10-16(18)19/h2-8H,10H2,1H3,(H,23,24)"	CC1=CC=C(C=C1)C2=C(C(=O)NC3=C2COC4=C3C=C(C=C4)F)C#N	MOTPMZYLWZXSAG-UHFFFAOYSA-N
DG64762	(E)-3-(4-chlorophenyl)-1-[5-methyl-1-[8-(trifluoromethyl)-4-quinolyl]triazol-4-yl]prop-2-en-1-one	11532324	"NSC736152; NSC-736152; (E)-3-(4-chlorophenyl)-1-[5-methyl-1-[8-(trifluoromethyl)-4-quinolyl]triazol-4-yl]prop-2-en-1-one; 3-(4-Chloro-phenyl)-1-[5-methyl-1-(8-trifluoromethyl-quinolin-4-yl)-1H-[1,2,3]triazol-4-yl]-propenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736152	.	.	.	.	442.8	C22H14ClF3N4O	60.7	668	5.6	31	0	7	4	"InChI=1S/C22H14ClF3N4O/c1-13-20(19(31)10-7-14-5-8-15(23)9-6-14)28-29-30(13)18-11-12-27-21-16(18)3-2-4-17(21)22(24,25)26/h2-12H,1H3/b10-7+"	CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C(=O)/C=C/C4=CC=C(C=C4)Cl	CRHOWRCLPIUCND-JXMROGBWSA-N
DG64763	Indotecan	11533060	"INDOTECAN; 915303-09-2; LMP-400; UNII-BTA69L5M8D; NSC-724998; BTA69L5M8D; 2,3-dimethoxy-6-(3-morpholinopropyl)-5H-[1,3]dioxolo[4',5':5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione; LMP400; NSC724998; Indotecan(LMP400); Indotecan (LMP400); CHEMBL216462; SCHEMBL7712572; DTXSID90238613; BCP34018; EX-A3020; Indotecan hydrochloride (LMP-400); ZB1545; NSC-724998LMP-400; SB16793; HY-18351; CS-0007476; LMP400; LMP-400; LMP 400; Q27274872; 15,16-dimethoxy-20-(3-morpholin-4-ylpropyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione; 3-[(Morpholine)-1-propyl]-5,3-dimethoxy-8,9-meth ylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724998	.	.	.	.	478.5	C26H26N2O7	86.8	872	2.2	35	0	8	6	"InChI=1S/C26H26N2O7/c1-31-19-10-15-18(13-20(19)32-2)26(30)28(5-3-4-27-6-8-33-9-7-27)24-16-11-21-22(35-14-34-21)12-17(16)25(29)23(15)24/h10-13H,3-9,14H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCOCC6)OC	FMFIFGLHVOZDEL-UHFFFAOYSA-N
DG64764	"N-(2-Amino-phenyl)-4-{1-[4-(3,5-bis-trifluoromethylphenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide"	11534053	"N-(2-Amino-phenyl)-4-{1-[4-(3,5-bis-trifluoromethylphenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide; SCHEMBL4898506; NSC735403; NSC-735403; n-(2-aminophenyl)-4-[1-({4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl}methyl)vinyl]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735403	.	.	.	.	548.5	C28H26F6N4O	61.6	811	6.3	39	2	10	6	"InChI=1S/C28H26F6N4O/c1-18(19-6-8-20(9-7-19)26(39)36-25-5-3-2-4-24(25)35)17-37-10-12-38(13-11-37)23-15-21(27(29,30)31)14-22(16-23)28(32,33)34/h2-9,14-16H,1,10-13,17,35H2,(H,36,39)"	C=C(CN1CCN(CC1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N	VVRQPEBOABQSGA-UHFFFAOYSA-N
DG64765	Flufenamic acid 2-chlorophenyl ester	11538385	CHEMBL112344; flufenamic acid 2-chlorophenyl ester; NSC733909; NSC-733909	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733909	.	.	.	.	391.8	C20H13ClF3NO2	38.3	502	7.8	27	1	6	5	"InChI=1S/C20H13ClF3NO2/c21-16-9-2-4-11-18(16)27-19(26)15-8-1-3-10-17(15)25-14-7-5-6-13(12-14)20(22,23)24/h1-12,25H"	C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2Cl)NC3=CC=CC(=C3)C(F)(F)F	YDPGGYAGKTWZDD-UHFFFAOYSA-N
DG64766	Quisinostat	11538455	"QUISINOSTAT; 875320-29-9; JNJ-26481585; N-Hydroxy-2-(4-((((1-methyl-1H-indol-3-yl)methyl)amino)methyl)piperidin-1-yl)pyrimidine-5-carboxamide; UNII-9BJ85K1J8S; JNJ26481585; JNJ 26481585; 9BJ85K1J8S; Quisinostat (JNJ-26481585); N-hydroxy-2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide; N-Hydroxy-2-(4-((((1-methyl-1H-indol-3-yl)methyl)amino)-methyl)piperidin-1-yl)pyrimidine-5-carboxamide; 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide; JNJ 26481585 dihydrochloride; N-hydroxy-2-(4-(((1-methyl-1H-indol-3-yl)methylamino)methyl)piperidin-1-yl)pyrimidine-5-carboxamide; Quisinostat [USAN:INN]; GOK; Quisinostat (USAN/INN); MLS006011096; GTPL7503; SCHEMBL2360460; CHEMBL2105763; CHEBI:94771; DTXSID90236376; HMS3654M19; HMS3747E21; BCP01811; BDBM50105327; MFCD17010272; NSC759657; ZINC35836133; AKOS016004011; BCP9000803; CS-5065; DB12985; NSC-759657; SB16528; NCGC00346487-01; NCGC00346487-04; 5-Pyrimidinecarboxamide, N-hydroxy-2-(4-((((1-methyl-1H-indol-3-yl)methyl)amino)methyl)-1-piperidinyl)-; AC-27415; AS-16361; HY-15433; N-Hydroxy-2-(4-((((1-methyl-1H-indol-3-yl)methyl)amino)methyl)piperidin-1-yl)pyrimidine-5-carboxamid; SMR004702884; FT-0700499; SW219796-1; X7529; EC-000.2337; D10321; A862539; Q7272620; BRD-K83837640-001-01-4; N-hydroxy-2-(4-(((1-methyl-1H-indol-3-yl)methylamino)methyl)piperidin-1-yl)pyrimidine-5-carboxamide dihydrochloride; N-Hydroxy-2-[4-[[[(1-methyl-1H-indol-3-yl)methyl]amino]methyl]-1-piperidinyl]-5-pyrimidinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759657	.	.	.	.	394.5	C21H26N6O2	95.3	533	1.3	29	3	6	6	"InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)"	CN1C=C(C2=CC=CC=C21)CNCC3CCN(CC3)C4=NC=C(C=N4)C(=O)NO	PAWIYAYFNXQGAP-UHFFFAOYSA-N
DG64767	Ralimetinib	11539025	"Ralimetinib; 862505-00-8; LY-2228820 free base; UNII-73I34XW4HD; Ralimetinib ( LY2228820); LY-2228820; 862505-00-8 (free base); 73I34XW4HD; 5-[2-(1,1-dimethylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)-3H-Imidazo[4,5-b]pyridin-2-amine; C24H29FN6; 3H-Imidazo[4,5-b]pyridin-2-amine,5-[2-(1,1-dimethylethyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-3-(2,2-dimethylpropyl)-; 5-(2-(tert-butyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl)-3-neopentyl-3H-imidazo[4,5-b]pyridin-2-amine; Ralimetinib [USAN:INN]; LY2228820 free base; 5-(2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl)-3-neopentyl-3H-imidazo[4,5-b]pyridin-2-amine dimethanesulfonate; Ralimetinib (USAN/INN); GTPL7959; SCHEMBL3989306; CHEMBL2364626; SCHEMBL13826263; DTXSID00235456; BCPP000180; HMS3674E21; LSN2322600 FREE BASE; BCP02033; LSN-2322600 FREE BASE; 2526AH; HY-13241A; NSC766820; NSC785335; ZINC34630490; AKOS027282678; BCP9000871; DB11787; NSC-766820; NSC-785335; SB16635; NCGC00346537-01; NCGC00346537-03; NCGC00346537-05; 3H-Imidazo(4,5-b)pyridin-2-amine, 5-(2-(1,1-dimethylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)-3-(2,2-dimethylpropyl)-; DB-076584; CS-0008496; FT-0727743; LY22288220; X7400; D10658; Q27088512; 5-(2-(tert-Butyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)-3-neopentyl-3H-imidazo[4,5-b]pyridin-2-amine; 5-(2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl)-3-neopentyl-3H-imidazo[4,5-b]pyridin-2-amine; 5-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine; 5-[2-tert-butyl-5-(4-fluoro-phenyl)-1H-imidazol-4-yl]-3-(2,2-dimethyl-propyl)-3H-imidazo[4,5-b]pyridin-2-ylamine; 5-[2-tert-butyl-5-(4-fluorophenyl)-3H-imidazol-4-yl]-3-(2,2-dimethylpropyl)imidazo[5,4-b]pyridin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766820	.	.	.	.	420.5	C24H29FN6	85.4	608	5.3	31	2	5	5	"InChI=1S/C24H29FN6/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30)"	CC(C)(C)CN1C2=C(C=CC(=N2)C3=C(N=C(N3)C(C)(C)C)C4=CC=C(C=C4)F)N=C1N	XPPBBJCBDOEXDN-UHFFFAOYSA-N
DG64768	Monomethyl auristatin E	11542188	"Monomethyl auristatin E; 474645-27-7; MMAE; Monomethylauristatin E; UNII-V7I58RC5EJ; MMAE (Monomethyl auristatin E); V7I58RC5EJ; (2S)-N-[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide; N-methyl-L-valyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide; MMAE peptide; Monomethyl auristatin E (MMAE); MFCD22124498; 4Q5; MMAE, monomethyl auristatin E; SCHEMBL5402144; CHEMBL2103835; AMY9235; AOB5196; C39H67N5O7; n-methyl-l-valyl-n-[(1s,2r)-4-[(2s)-2-[(1r,2r)-3-[[(1r,2s)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-n-methyl-l-valinamide; FD9056; NSC791792; NSC832263; s7721; ZINC85537145; CCG-270400; CS-0837; NSC-791792; NSC-832263; HY-15162; N-Methyl-L-valyl-N-((1S,2R)-4-((2S)-2-((1R,2R)-3-(((1R,2S)-2-hydroxy-1-methyl-2-phenylethyl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-2-methoxy-1-((1S)-1-methylpropyl)-4-oxobutyl)-N-methyl-L-valinamide; Y1831; Q6901739; (S)-N-((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-Hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)-N,3-dimethyl-2-((S)-3-methyl-2-(methylamino)butanamido)butanamide; L-Valinamide, N-methyl-L-valyl-N-((1S,2R)-4-((2S)-2-((1R,2R)-3-(((1R,2S)-2-hydroxy-1- methyl-2-phenylethyl)amino)-1-methoxy-2-methyl-3-oxopropyl)-1-pyrrolidinyl)-2- methoxy-1-((1S)-1-methylpropyl)-4-oxobutyl)-N-methyl-; N(sup 2)-(N-Methyl-L-valyl)-N(sup 1)-((1S,2R)-4-((2S)-2-((1R,2R)-3-(((1R,2S)-2-hydroxy-1-methyl-2- phenylethyl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-2-methoxy-1-((1S)- 1-methylpropyl)-4-oxobutyl)-N(sup 1)-methyl-L-valinamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	832263	.	.	.	.	718	C39H67N5O7	150	1100	4.1	51	4	8	20	"InChI=1S/C39H67N5O7/c1-13-25(6)34(43(10)39(49)33(24(4)5)42-38(48)32(40-9)23(2)3)30(50-11)22-31(45)44-21-17-20-29(44)36(51-12)26(7)37(47)41-27(8)35(46)28-18-15-14-16-19-28/h14-16,18-19,23-27,29-30,32-36,40,46H,13,17,20-22H2,1-12H3,(H,41,47)(H,42,48)/t25-,26+,27+,29-,30+,32-,33-,34-,35+,36+/m0/s1"	CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC	DASWEROEPLKSEI-UIJRFTGLSA-N
DG64769	cordyheptapeptide A	11542476	"cordyheptapeptide A; CHEBI:65658; (6S,9S,12S,15S,18R,23aS)-6,18-dibenzyl-12-[(2S)-butan-2-yl]-9-(4-hydroxybenzyl)-15-isobutyl-2,8,17-trimethylhexadecahydro-1H-pyrrolo[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosine-1,4,7,10,13,16,19-heptone; Cordyheptapepitde A; CHEMBL505624; NSC812201; NSC-812201; Q27134137; cyclo(N-methylglycyl-L-phenylalanyl-N-methyl-L-tyrosyl-L-isoleucyl-L-leucyl-D-phenylalanyl-L-prolyl); Cyclo(N-methylglycyl-L-phenylalanyl-N-methyl-L-tyrosyl-L-isoleucyl-L-leucyl-N-methyl-D-phenylalanyl-L-prolyl)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812201	.	.	.	.	880.1	C49H65N7O8	189	1610	5.7	64	4	8	10	"InChI=1S/C49H65N7O8/c1-8-32(4)43-45(60)51-37(26-31(2)3)46(61)55(7)41(29-34-18-13-10-14-19-34)49(64)56-25-15-20-39(56)48(63)53(5)30-42(58)50-38(27-33-16-11-9-12-17-33)47(62)54(6)40(44(59)52-43)28-35-21-23-36(57)24-22-35/h9-14,16-19,21-24,31-32,37-41,43,57H,8,15,20,25-30H2,1-7H3,(H,50,58)(H,51,60)(H,52,59)/t32-,37-,38-,39-,40-,41+,43-/m0/s1"	CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N([C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N[C@H](C(=O)N([C@H](C(=O)N1)CC3=CC=C(C=C3)O)C)CC4=CC=CC=C4)C)CC5=CC=CC=C5)C)CC(C)C	ZXPWAGZHBVVLJM-PPLXTMPISA-N
DG64770	(3-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate	11545634	CHEMBL363468; NSC731823; NSC-731823	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731823	.	.	.	.	392.8	C19H12ClF3N2O2	51.2	506	5.9	27	1	7	5	"InChI=1S/C19H12ClF3N2O2/c20-12-4-3-5-14(10-12)27-18(26)15-6-1-2-7-16(15)25-13-8-9-24-17(11-13)19(21,22)23/h1-11H,(H,24,25)"	C1=CC=C(C(=C1)C(=O)OC2=CC(=CC=C2)Cl)NC3=CC(=NC=C3)C(F)(F)F	ZQYISAAAUBFWMX-UHFFFAOYSA-N
DG64771	"(2,4-Dichlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate"	11546395	CHEMBL187532; NSC731820; NSC-731820	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731820	.	.	.	.	427.2	C19H11Cl2F3N2O2	51.2	538	6.5	28	1	7	5	"InChI=1S/C19H11Cl2F3N2O2/c20-11-5-6-16(14(21)9-11)28-18(27)13-3-1-2-4-15(13)26-12-7-8-25-17(10-12)19(22,23)24/h1-10H,(H,25,26)"	C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)Cl)Cl)NC3=CC(=NC=C3)C(F)(F)F	ZKSGADBLRQHPTK-UHFFFAOYSA-N
DG64772	"3,3,5(10)-Trien-ol-17b-yl)c innamide"	11546817	"NSC734307; NSC-734307; 3,3,5(10)-trien-ol-17b-yl)c innamide; (E)-N-[3-Methoxyestra-1,3,5(10)-triene-17beta-yl]-3-(3,4-dihydroxyphenyl)propeneamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734307	.	.	.	.	447.6	C28H33NO4	78.8	739	5.7	33	3	4	4	"InChI=1S/C28H33NO4/c1-28-14-13-21-20-8-6-19(33-2)16-18(20)5-7-22(21)23(28)9-11-26(28)29-27(32)12-4-17-3-10-24(30)25(31)15-17/h3-4,6,8,10,12,15-16,21-23,26,30-31H,5,7,9,11,13-14H2,1-2H3,(H,29,32)/b12-4+/t21-,22-,23+,26+,28+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2NC(=O)/C=C/C4=CC(=C(C=C4)O)O)CCC5=C3C=CC(=C5)OC	JHDZSYLXRDVGOK-RAUFMVRRSA-N
DG64774	"N-nonyl-3,4-dihydroxycinnamide"	11551263	"N-nonyl-3,4-dihydroxycinnamide; NSC734303; NSC-734303"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734303	.	.	.	.	305.4	C18H27NO3	69.6	330	5	22	3	3	10	"InChI=1S/C18H27NO3/c1-2-3-4-5-6-7-8-13-19-18(22)12-10-15-9-11-16(20)17(21)14-15/h9-12,14,20-21H,2-8,13H2,1H3,(H,19,22)/b12-10+"	CCCCCCCCCNC(=O)/C=C/C1=CC(=C(C=C1)O)O	BAIKPLYLOVAEGO-ZRDIBKRKSA-N
DG64775	"2,6-Bis(benzylamino)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile"	11553772	CHEMBL429638; NSC734406; NSC-734406	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734406	.	.	.	.	431.5	C27H21N5O	105	650	6.3	33	3	6	7	"InChI=1S/C27H21N5O/c28-15-23-25(21-12-7-13-22(33)14-21)24(16-29)27(31-18-20-10-5-2-6-11-20)32-26(23)30-17-19-8-3-1-4-9-19/h1-14,33H,17-18H2,(H2,30,31,32)"	C1=CC=C(C=C1)CNC2=C(C(=C(C(=N2)NCC3=CC=CC=C3)C#N)C4=CC(=CC=C4)O)C#N	XGQDMYPMBALAAI-UHFFFAOYSA-N
DG64776	Carfilzomib	11556711	"Carfilzomib; 868540-17-4; Kyprolis; Carfilzomib (PR-171); PR-171; UNII-72X6E3J5AR; Carfilzomib (PR171); 72X6E3J5AR; CHEMBL451887; CHEBI:65347; NSC-758252; NCGC00249613-01; DSSTox_CID_28616; DSSTox_RID_82886; DSSTox_GSID_48690; (alphaS)-alpha-[[2-(4-Morpholinyl)acetyl]amino]benzenebutanoyl-L-leucyl-N-[(1S)-3-methyl-1-[[(2R)-2-methyl-2-oxiranyl]carbonyl]butyl]-L-phenylalaninamide; (S)-4-methyl-N-((S)-1-(((S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamide; N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-{(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl}-L-phenylalaninamide; (2S)-4-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanamide; (S)-4-methyl-N-((S)-1-((S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamide; CAS-868540-17-4; Carfilzomib [USAN:INN]; MFCD11040997; Kyprolis (TN); Carfilzomib(PR171); Carfilzomib; PR171; SCHEMBL85165; MLS006011102; Carfilzomib (JAN/USAN/INN); GTPL7420; QCR-96; DTXSID4048690; AMY4357; C40H57N5O7; AOB87759; EX-A2037; ONO-7057; Tox21_113079; BDBM50277889; NSC756640; NSC758252; s2853; ZINC49841054; AKOS025401910; Tox21_113079_1; CCG-270405; CS-0984; CS-W004540; DB08889; NSC 758252; NSC-756640; NCGC00249613-02; NCGC00249613-03; NCGC00249613-08; NCGC00249613-11; NCGC00249613-13; AC-27051; AS-17059; HY-10455; SMR004660024; SW218090-2; Y0441; D08880; AB01565867_02; SR-01000941582; J-501773; SR-01000941582-1; Q15366934; (2S)-N-((1S)-1-Benzyl-2-(((1S)-3-methyl-1-(((2R)-2-methyloxiran-2-yl)carbonyl)butyl)amino)-2-oxoethyl)-4-methyl-2-(((2S)-2-((morpholin-4-ylacetyl)amino)-4-phenylbutanoyl)amino)pentanamide; (Alphas)-alpha-((4-morpholinylacetyl)amino)benzenebutanoyl-l-leucyl-n-((1s)-3-methyl-1-(((2r)-2-methyloxiranyl)carbonyl)butyl)-l-phe nylalaninamide; (S)-4-Methyl-N-((S)-1-((S)-4-Methyl-1-((R)-2- Methyloxiran-2-yl)-1 -oxopentan-2-ylaMino)-1-oxo-3-phenylpropan-2-yl)-2-((S)-2-(2-MorpholinoacetaMido)-4-phenylbutanaMido)pentanaMide; L-Phenylalaninamide, (alphaS)-alpha-((4-morpholinylacetyl)amino)benzenebutanoyl-L-leucyl-N-((1S)-3-methyl-1-(((2R)-2-methyloxiranyl)carbonyl)butyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758252	.	.	.	.	719.9	C40H57N5O7	159	1180	4.7	52	4	8	20	"InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1"	CC(C)C[C@@H](C(=O)[C@]1(CO1)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC3=CC=CC=C3)NC(=O)CN4CCOCC4	BLMPQMFVWMYDKT-NZTKNTHTSA-N
DG64777	"1-(3,4,5-Trimethoxyphenyl)-2-(2-naphthyl)-1H-imidazole"	11559546	"NSC-736993; CHEMBL374697; NSC736993; 1-(3,4,5-Trimethoxyphenyl)-2-(2-naphthyl)-1H-imidazole; 2-(naphthalen-2-yl)-1-(3,5-trimethoxyphenyl)-1H-imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736993	.	.	.	.	360.4	C22H20N2O3	45.5	463	4.5	27	0	4	5	"InChI=1S/C22H20N2O3/c1-25-19-13-18(14-20(26-2)21(19)27-3)24-11-10-23-22(24)17-9-8-15-6-4-5-7-16(15)12-17/h4-14H,1-3H3"	COC1=CC(=CC(=C1OC)OC)N2C=CN=C2C3=CC4=CC=CC=C4C=C3	NJSASTDWMGNLHN-UHFFFAOYSA-N
DG64778	"1-[4-Ethoxycarbonyl)homopiperazine-1-yl]diazen-1-ium-1,2-dio late."	11567470	"CHEMBL212378; SCHEMBL12458639; NSC731704; NSC-731704; NCGC00168170-01; JS-36-25; CAS RN: 903568-86-5; 1-[4-Ethoxycarbonyl)homopiperazine-1-yl]diazen-1-ium-1,2-dio late.; O2-(2,4-dinitrophenyl) 1-[(4-ethoxycarbonyl)-2,4-diazacycloheptan-1-yl]diazen-1-ium-1,2-diolate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731704	.	.	.	.	398.33	C14H18N6O8	175	606	2.4	28	0	10	5	"InChI=1S/C14H18N6O8/c1-2-27-14(21)16-6-3-7-17(9-8-16)20(26)15-28-13-5-4-11(18(22)23)10-12(13)19(24)25/h4-5,10H,2-3,6-9H2,1H3/b20-15-"	CCOC(=O)N1CCCN(CC1)/[N+](=N/OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/[O-]	CBRJDKTVZPKXFR-HKWRFOASSA-N
DG64779	"4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(6-(trifluoromethyl)pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxamide"	11569498	"GSK317354A; 874119-13-8; 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(6-(trifluoromethyl)pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxamide; 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[6-(trifluoromethyl)pyridin-3-yl]-1,4-dihydropyrimidine-5-carboxamide; Dihydropyrimidine, 16; CHEMBL485598; SCHEMBL4936028; BDBM25487; HMS3303B20; HMS3305O02; NSC756171; NSC-756171; NCGC00242157-01; AB01092375-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756171	.	.	.	.	494.4	C25H18F4N6O	95.1	884	3.5	36	3	8	4	"InChI=1S/C25H18F4N6O/c1-13-21(24(36)33-18-7-8-19-16(10-18)12-31-35-19)22(14-2-5-17(26)6-3-14)34-23(32-13)15-4-9-20(30-11-15)25(27,28)29/h2-12,22H,1H3,(H,31,35)(H,32,34)(H,33,36)"	CC1=C(C(N=C(N1)C2=CN=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)F)C(=O)NC4=CC5=C(C=C4)NN=C5	VTWIDKVFGFLBGO-UHFFFAOYSA-N
DG64780	Cenisertib	11569967	"Cenisertib; AS-703569; AS703569; 871357-89-0; UNII-5277GPA358; R-763; CHEMBL1614709; 5277GPA358; (1S,2S,3R,4R)-3-((5-fluoro-2-((3-methyl-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)bicyclo[2.2.1]hept-5-ene-2-carboxamide; AS 703569; R763; (1S,2S,3R,4R)-3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide; Cenisertib [INN]; SCHEMBL400147; GTPL9927; BDBM50389967; NSC763930; compound 2 [PMID: 22695126]; DB06347; NSC-763930; compound 60a [WO2005118544A2]; enantiomer E1 [WO2005118544A2]; HY-13072; CS-0003175; Q27260973; (1R,2R,3S,4S)-N4-(3-Aminocarbonylbicyclo[2.2.1]hept-5-en-2-yl)-5-fluoro-N2-[3-methyl-4-(4-methlypiperazin-1-yl)phenyl]-2,4-pyrimidinediamine; (1R,2R,3S,4S)-N4-(3-Aminocarbonylbicyclo[2.2.1]hept-5-en-2-yl)-5-fluoro-N2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2,4-pyrimidinediamine; Bicyclo(2.2.1)hept-5-ene-2-carboxamide, 3-((5-fluoro-2-((3-methyl-4-(4-methyl-1-piperazinyl)phenyl)amino)-4-pyrimidinyl)amino)-, (1S,2S,3R,4R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763930	.	.	.	.	451.5	C24H30FN7O	99.4	730	3.2	33	3	8	6	"InChI=1S/C24H30FN7O/c1-14-11-17(5-6-19(14)32-9-7-31(2)8-10-32)28-24-27-13-18(25)23(30-24)29-21-16-4-3-15(12-16)20(21)22(26)33/h3-6,11,13,15-16,20-21H,7-10,12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)/t15-,16+,20+,21-/m1/s1"	CC1=C(C=CC(=C1)NC2=NC=C(C(=N2)N[C@@H]3[C@@H]4C[C@H]([C@@H]3C(=O)N)C=C4)F)N5CCN(CC5)C	KSOVGRCOLZZTPF-QMKUDKLTSA-N
DG64781	"(E)-N-(2-aminophenyl)-3-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]prop-2-enamide"	11582279	SCHEMBL8269800; NSC733254; NSC-733254	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733254	.	.	.	.	409.5	C27H27N3O	58.4	636	4.9	31	2	3	6	"InChI=1S/C27H27N3O/c1-20(18-30-17-16-23-6-2-3-7-24(23)19-30)22-13-10-21(11-14-22)12-15-27(31)29-26-9-5-4-8-25(26)28/h2-15H,1,16-19,28H2,(H,29,31)/b15-12+"	C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)/C=C/C(=O)NC4=CC=CC=C4N	YRPFCLRPHUGURL-NTCAYCPXSA-N
DG64782	N-(2-aminophenyl)-4-{1-[(benzylamino)methyl]vinyl}benzamide	11588476	N-(2-aminophenyl)-4-{1-[(benzylamino)methyl]vinyl}benzamide; SCHEMBL4897948; NSC730002; NSC-730002	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730002	.	.	.	.	357.4	C23H23N3O	67.2	478	4	27	3	3	7	"InChI=1S/C23H23N3O/c1-17(15-25-16-18-7-3-2-4-8-18)19-11-13-20(14-12-19)23(27)26-22-10-6-5-9-21(22)24/h2-14,25H,1,15-16,24H2,(H,26,27)"	C=C(CNCC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N	YTUXOVDFKUAGIW-UHFFFAOYSA-N
DG64783	N-(2-amino-phenyl)-4-(1-{[benzyl(methyl)amino]methyl}vinyl)benzamide	11588795	SCHEMBL4899079; NSC729998; NSC-729998; N-(2-amino-phenyl)-4-(1-{[benzyl(methyl)amino]methyl}vinyl)benzamide; N-(2-aminophenyl)-4-[1-(methylbenzylamine-4-ylmethyl)vinyl]b enzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729998	.	.	.	.	371.5	C24H25N3O	58.4	506	4.4	28	2	3	7	"InChI=1S/C24H25N3O/c1-18(16-27(2)17-19-8-4-3-5-9-19)20-12-14-21(15-13-20)24(28)26-23-11-7-6-10-22(23)25/h3-15H,1,16-17,25H2,2H3,(H,26,28)"	CN(CC1=CC=CC=C1)CC(=C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N	KGKIJZLKEXXQMR-UHFFFAOYSA-N
DG64784	(NE)-N-[1-[4-[(6-methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethylidene]hydroxylamine	11589053	NSC727473; NSC-727473	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727473	.	.	.	.	383.4	C24H21N3O2	66.7	540	5.3	29	2	5	5	"InChI=1S/C24H21N3O2/c1-16(27-28)17-8-10-19(11-9-17)25-24-15-23(18-6-4-3-5-7-18)26-22-13-12-20(29-2)14-21(22)24/h3-15,28H,1-2H3,(H,25,26)/b27-16+"	C/C(=N\\O)/C1=CC=C(C=C1)NC2=CC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4	BYUSNMVMDMMGRC-JVWAILMASA-N
DG64785	"N-(2-aminophenyl)-4-[1-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-ylmethyl)vinyl]benzamide"	11589884	"SCHEMBL4897412; NSC730001; NSC-730001; N-(2-aminophenyl)-4-[1-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-ylmethyl)vinyl]benzamide; N-(2-aminophenyl)-4-[1-(1,4,5-tetrahydro-2H-indeno[1,2-c] pyridin-2-ylmethyl)vinyl]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730001	.	.	.	.	422.5	C27H26N4O	74.2	673	4.6	32	3	3	5	"InChI=1S/C27H26N4O/c1-18(16-31-15-14-22-21-6-2-4-8-24(21)29-26(22)17-31)19-10-12-20(13-11-19)27(32)30-25-9-5-3-7-23(25)28/h2-13,29H,1,14-17,28H2,(H,30,32)"	C=C(CN1CCC2=C(C1)NC3=CC=CC=C23)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N	YSQCHDWGPQOLNP-UHFFFAOYSA-N
DG64786	N-[(E)-(4-chlorophenyl)methyleneamino]-5-methyl-1-[8-(trifluoromethyl)-4-quinolyl]triazole-4-carboxamide	11590674	NSC736149; NSC-736149; N-[(E)-(4-chlorophenyl)methyleneamino]-5-methyl-1-[8-(trifluoromethyl)-4-quinolyl]triazole-4-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736149	.	.	.	.	458.8	C21H14ClF3N6O	85.1	687	4.8	32	1	8	4	"InChI=1S/C21H14ClF3N6O/c1-12-18(20(32)29-27-11-13-5-7-14(22)8-6-13)28-30-31(12)17-9-10-26-19-15(17)3-2-4-16(19)21(23,24)25/h2-11H,1H3,(H,29,32)/b27-11+"	CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C(=O)N/N=C/C4=CC=C(C=C4)Cl	GIHNTQKMGBKASZ-LUOAPIJWSA-N
DG64787	"2-Quinoxalinecarbonitrile, 3-(4-chlorophenyl)-, 1,4-dioxide"	11594562	"CHEMBL512752; NSC725539; NSC-725539; 1,4-di-N-oxide-2-cyano-3-(4-clhloro)phenylquinoxaline; 2-Quinoxalinecarbonitrile, 3-(4-chlorophenyl)-, 1,4-dioxide; 3-(4-chlorophenyl)-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725539	.	.	.	.	297.69	C15H8ClN3O2	70.2	516	2.2	21	0	4	1	InChI=1S/C15H8ClN3O2/c16-11-7-5-10(6-8-11)15-14(9-17)18(20)12-3-1-2-4-13(12)19(15)21/h1-8H	C1=CC=C2C(=C1)N(C(=C([N+]2=O)C#N)C3=CC=C(C=C3)Cl)[O-]	GHCITZLMAPABDB-UHFFFAOYSA-N
DG64788	NSC736513	11598010	"(2R,3R)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxoheptadeca-1,3,7,9-tetraenyl]-3-methyl-2,3-dihydropyran-6-one; CHEMBL200280; NSC736513; NSC-736513"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736513	.	.	.	.	470.7	C30H46O4	63.6	814	7.9	34	1	4	13	"InChI=1S/C30H46O4/c1-9-22(5)29(32)25(8)30(33)24(7)18-20(3)12-11-13-21(4)19-26(10-2)15-16-27-23(6)14-17-28(31)34-27/h11-12,14-19,21-25,27,29,32H,9-10,13H2,1-8H3/b12-11+,16-15+,20-18+,26-19-/t21-,22+,23-,24-,25+,27-,29-/m1/s1"	CC[C@H](C)[C@H]([C@H](C)C(=O)[C@H](C)/C=C(\\C)/C=C/C[C@@H](C)/C=C(/CC)\\C=C\\[C@@H]1[C@@H](C=CC(=O)O1)C)O	WWNRMMIDGQJVCO-MAGMZBKSSA-N
DG64789	"1,3-Dibenzyl-5-benzoyl-6-[(2-hydroxy-3-pyrrolizinopropyl)amino]pyrimidine-2,4(1H,3H)-dione"	11599109	"NSC735032; NSC-735032; 1,3-Dibenzyl-5-benzoyl-6-[(2-hydroxy-3-pyrrolizinopropyl)amino]pyrimidine-2,4(1H,3H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735032	.	.	.	.	538.6	C32H34N4O4	93.2	912	4.6	40	2	6	11	"InChI=1S/C32H34N4O4/c37-27(23-34-18-10-11-19-34)20-33-30-28(29(38)26-16-8-3-9-17-26)31(39)36(22-25-14-6-2-7-15-25)32(40)35(30)21-24-12-4-1-5-13-24/h1-9,12-17,27,33,37H,10-11,18-23H2"	C1CCN(C1)CC(CNC2=C(C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)C5=CC=CC=C5)O	VMHYHABHEHQWJM-UHFFFAOYSA-N
DG64790	NSC693702	11599836	"(Z)-4-[(2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid; gambogic acid; NSC693702; 2752-65-0; CHEMBL265955; SCHEMBL12045554; NSC-693702; NCGC00485239-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693702	.	.	.	.	628.7	C38H44O8	119	1490	7.3	46	2	8	8	"InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27 ,36-,37+,38-/m1/s1"	CC(=CCC[C@@]1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)O[C@@]45C6C[C@@H](C=C4C3=O)C(=O)[C@@]5(OC6(C)C)C/C=C(/C)\\C(=O)O)O)C)C	GEZHEQNLKAOMCA-JDDSCDDDSA-N
DG64791	"3-N-[4-(4-morpholin-4-ylcyclohexyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine"	11604142	CHEMBL1835870; CHEMBL1835871; SCHEMBL2877664; SCHEMBL13524857; SCHEMBL13524860; BDBM50355491; BDBM50355492; NSC771651; NSC-771651	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771651	.	.	.	.	419.5	C23H29N7O	94.1	544	3.4	31	2	7	5	"InChI=1S/C23H29N7O/c24-22-27-23(28-30(22)21-3-1-2-12-25-21)26-19-8-4-17(5-9-19)18-6-10-20(11-7-18)29-13-15-31-16-14-29/h1-5,8-9,12,18,20H,6-7,10-11,13-16H2,(H3,24,26,27,28)"	C1CC(CCC1C2=CC=C(C=C2)NC3=NN(C(=N3)N)C4=CC=CC=N4)N5CCOCC5	OYUDNKFIGXAIRZ-UHFFFAOYSA-N
DG64792	N-(2-aminophenyl)-4-[1-({4-[3-(trifluoromethyl)phenyl]pipera zin-1-yl}methyl)viny l]benzamide	11605406	N-(2-aminophenyl)-4-[1-({4-[3-(trifluoromethyl)phenyl]pipera zin-1-yl}methyl)viny l]benzamide; SCHEMBL8268732; NSC730003; NSC-730003	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730003	.	.	.	.	480.5	C27H27F3N4O	61.6	714	5.4	35	2	7	6	"InChI=1S/C27H27F3N4O/c1-19(20-9-11-21(12-10-20)26(35)32-25-8-3-2-7-24(25)31)18-33-13-15-34(16-14-33)23-6-4-5-22(17-23)27(28,29)30/h2-12,17H,1,13-16,18,31H2,(H,32,35)"	C=C(CN1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N	YETXDBRNKDIOQO-UHFFFAOYSA-N
DG64793	N-(3-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamino)pyrimidin-5-yl)ethynyl)benzyl)acetamide	11605761	GW807930X; CHEMBL207247; SCHEMBL5922784; HMS3303I09; HMS3305M24; BDBM50182897; NSC756368; NSC-756368; NCGC00242007-01; AB01092142-01; N-(3-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamino)pyrimidin-5-yl)ethynyl)benzyl)acetamide; N-(3-{[4-({3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)pyrimidin-5-yl]ethynyl}benzyl)acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756368	.	.	.	.	500.9	C28H22ClFN4O2	76.1	773	5.4	36	2	6	9	"InChI=1S/C28H22ClFN4O2/c1-19(35)32-15-21-5-2-4-20(12-21)8-9-23-16-31-18-33-28(23)34-25-10-11-27(26(29)14-25)36-17-22-6-3-7-24(30)13-22/h2-7,10-14,16,18H,15,17H2,1H3,(H,32,35)(H,31,33,34)"	CC(=O)NCC1=CC(=CC=C1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	IWKYADYEFPLAEG-UHFFFAOYSA-N
DG64794	"2-[4-Amino-6-(5-ethyl-4-methyl-4,3,5-triazin-2-yl]-2-{[4-dimethylamino)phenyl]imino}acetoni trile"	11610533	"NSC729115; NSC-729115; 2-[4-amino-6-(5-ethyl-4-methyl-4,3,5-triazin-2-yl]-2-{[4-dimethylamino)phenyl]imino}acetoni trile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729115	.	.	.	.	377.4	C19H23N9	120	629	3	28	1	9	5	"InChI=1S/C19H23N9/c1-5-16-12(2)11-22-28(16)19-25-17(24-18(21)26-19)15(10-20)23-13-6-8-14(9-7-13)27(3)4/h6-9,11-12,16H,5H2,1-4H3,(H2,21,24,25,26)"	CCC1C(C=NN1C2=NC(=NC(=N2)N)C(=NC3=CC=C(C=C3)N(C)C)C#N)C	FUVLRLMIEPJXAP-UHFFFAOYSA-N
DG64795	6-methoxy-N-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2-phenylquinolin-4-amine	11610967	NSC727474; NSC-727474	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727474	.	.	.	.	397.5	C25H23N3O2	55.7	555	5.6	30	1	5	6	"InChI=1S/C25H23N3O2/c1-17(28-30-3)18-9-11-20(12-10-18)26-25-16-24(19-7-5-4-6-8-19)27-23-14-13-21(29-2)15-22(23)25/h4-16H,1-3H3,(H,26,27)/b28-17+"	C/C(=N\\OC)/C1=CC=C(C=C1)NC2=CC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4	HSPUWWLOJQUMNP-OGLMXYFKSA-N
DG64796	N-(2-Aminophenyl)-4-{1-[(9-oxoacridin-10(9H)-yl)methyl]vinyl}benzamide	11612031	SCHEMBL4895649; NSC736098; NSC-736098; N-(2-Aminophenyl)-4-{1-[(9-oxoacridin-10(9H)-yl)methyl]vinyl}benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736098	.	.	.	.	445.5	C29H23N3O2	75.4	733	5.8	34	2	4	5	"InChI=1S/C29H23N3O2/c1-19(20-14-16-21(17-15-20)29(34)31-25-11-5-4-10-24(25)30)18-32-26-12-6-2-8-22(26)28(33)23-9-3-7-13-27(23)32/h2-17H,1,18,30H2,(H,31,34)"	C=C(CN1C2=CC=CC=C2C(=O)C3=CC=CC=C31)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N	VGHQGXLWUQBSQS-UHFFFAOYSA-N
DG64797	"2-Cyano-6,7-difluoro-3-(4-chloro)phenylquinoxaline"	11616421	"NSC727202; NSC-727202; 2-cyano-6,7-difluoro-3-(4-chloro)phenylquinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727202	.	.	.	.	301.68	C15H6ClF2N3	49.6	418	3.8	21	0	5	1	InChI=1S/C15H6ClF2N3/c16-9-3-1-8(2-4-9)15-14(7-19)20-12-5-10(17)11(18)6-13(12)21-15/h1-6H	C1=CC(=CC=C1C2=NC3=CC(=C(C=C3N=C2C#N)F)F)Cl	LHOXWWLUICHPDB-UHFFFAOYSA-N
DG64798	Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]pyridine-3-carboxylate	11617441	CHEMBL197324; NSC733465; NSC-733465	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733465	.	.	.	.	360.29	C17H11F3N4O2	77	477	3.5	26	1	9	5	"InChI=1S/C17H11F3N4O2/c18-17(19,20)14-9-11(5-8-22-14)24-15-13(4-2-7-23-15)16(25)26-12-3-1-6-21-10-12/h1-10H,(H,22,23,24)"	C1=CC(=CN=C1)OC(=O)C2=C(N=CC=C2)NC3=CC(=NC=C3)C(F)(F)F	MIPNSULCEZNCNG-UHFFFAOYSA-N
DG64799	"5-(3-Methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine"	11617559	"GW2580; 870483-87-7; GW-2580; GW 2580; UNII-SRV0JCF9LI; 5-(3-Methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine; GW632580X; 5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine; SRV0JCF9LI; SC-203877; cFMS Receptor Tyrosine Kinase Inhibitor; 5-{3-methoxy-4-[(4-methoxybenzyl)oxy]benzyl}pyrimidine-2,4-diamine; 5-(3-METHOXY-4-(4-METHOXYBENZYLOXY)BENZYL)PYRIMIDINE-2,4-DIAMINE; 2,4-Pyrimidinediamine, 5-((3-methoxy-4-((4-methoxyphenyl)methoxy)phenyl)methyl)-; 5-[3-Methoxy-4-[(4-methoxybenzyl)oxy]benzyl]pyrimidine-2,4-diamine; 2,4-Pyrimidinediamine, 5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-; 5-({3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl}methyl)pyrimidine-2,4-diamine; Kinome_3757; 4at5; CHEMBL261849; GTPL5685; SCHEMBL4326587; BDBM32362; AOB6789; DTXSID10236095; EX-A579; cid_11617559; HMS3229E11; HMS3303G12; HMS3305H21; HMS3653B06; HMS3673K11; BCP06918; MFCD12024701; NSC756292; s8042; ZINC13985942; AKOS022179064; AM81255; CCG-206754; CS-3490; NSC-756292; SB19390; NCGC00242051-01; NCGC00242051-11; AC-32806; AS-55846; HY-10917; GW-2580 (GW2580); FT-0700386; G-255; G0504; SW212674-2; Y0454; A11959; AB01092267-01; A862920; Q27077940; cFMS Receptor Tyrosine Kinase Inhibitor - CAS 870483-87-7; [2-amino-5-(3-methoxy-4-p-anisyloxy-benzyl)pyrimidin-4-yl]amine; 5-[3-Methoxy-4-(4-methoxybenzyloxy)-benzyl]pyrimidine-2,4-diamine; 5-[3-Methoxy-4-(4-methoxy-benzyloxy)-benzyl]-pyrimidine-2,4-diamine; 5-[[3-Methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-2,4-pyrimidinediamine; 5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine.; MUJ"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756292	.	.	.	.	366.4	C20H22N4O3	106	433	2.6	27	2	7	7	"InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24)"	COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC	MYQAUKPBNJWPIE-UHFFFAOYSA-N
DG64800	"N-(2-Aminophenyl)-4-[1-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-yl)methyl]vinyl]benzamide"	11619074	"SCHEMBL8268734; NSC733252; NSC-733252; J3.566.338J; N-(2-Aminophenyl)-4-[1-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-yl)methyl]vinyl]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733252	.	.	.	.	440.5	C27H25FN4O	74.2	708	4.7	33	3	4	5	"InChI=1S/C27H25FN4O/c1-17(15-32-13-12-25-22(16-32)21-14-20(28)10-11-24(21)30-25)18-6-8-19(9-7-18)27(33)31-26-5-3-2-4-23(26)29/h2-11,14,30H,1,12-13,15-16,29H2,(H,31,33)"	C=C(CN1CCC2=C(C1)C3=C(N2)C=CC(=C3)F)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N	CIXROPWNAJKHLB-UHFFFAOYSA-N
DG64801	Supinoxin	11619093	"Supinoxin; 888478-45-3; RX-5902; UNII-ZU8OM8V5WF; ZU8OM8V5WF; P-P68 inhibitor RX-5902; 4-(3,5-dimethoxyphenyl)-N-(7-fluoro-3-methoxy-quinoxalin-2-yl)piperazine-1-carboxamide; 4-(3,5-dimethoxyphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide; SCHEMBL1137972; CHEMBL1278118; RX-5902 (SUPINOXIN); EX-A4696; NSC779374; NSC793148; NSC-779374; NSC-793148; SB19791; HY-123611; CS-0083830; 1-(3,5-Dimethoxyphenyl)-4-((6-fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl) piperazine; 1-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3,5-dimethoxyphenyl)piperazine; 1-Piperazinecarboxamide, 4-(3,5-dimethoxyphenyl)-N-(7-fluoro-3-methoxy-2-quinoxalinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	779374	.	.	.	.	441.5	C22H24FN5O4	89	611	2.7	32	1	8	5	"InChI=1S/C22H24FN5O4/c1-30-16-11-15(12-17(13-16)31-2)27-6-8-28(9-7-27)22(29)26-20-21(32-3)25-18-5-4-14(23)10-19(18)24-20/h4-5,10-13H,6-9H2,1-3H3,(H,24,26,29)"	COC1=CC(=CC(=C1)N2CCN(CC2)C(=O)NC3=NC4=C(C=CC(=C4)F)N=C3OC)OC	KAKPGJJRYRYSTP-UHFFFAOYSA-N
DG64802	Tak-285	11620908	"TAK-285; 871026-44-7; TAK285; TAK 285; UNII-70CCB438L6; N-(2-(4-(3-CHLORO-4-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYLAMINO)-5H-PYRROLO[3,2-D]PYRIMIDIN-5-YL)ETHYL)-3-HYDROXY-3-METHYLBUTANAMIDE; CHEMBL1614725; 70CCB438L6; N-[2-[4-[3-chloro-4-[3-(trifluoromethyl)phenoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-3-hydroxy-3-methylbutanamide; N-{2-[4-({3-Chloro-4-[3-(Trifluoromethyl)phenoxy]phenyl}amino)-5h-Pyrrolo[3,2-D]pyrimidin-5-Yl]ethyl}-3-Hydroxy-3-Methylbutanamide; n-(2-(4-((3-chloro-4-(3-(trifluoromethyl)phenoxy)phenyl)amino)-5h-pyrrolo(3,2-d)pyrimidin-5-yl)ethyl)-3-hydroxy-3-methylbutanamide; C26H25ClF3N5O3; N-(2-(4-((3-chloro-4-(3-(trifluoromethyl)phenoxy)phenyl)amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethyl)-3-hydroxy-3-methylbutanamide; 3poz; 3rcd; 03P; N-[2-[4-[[3-Chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]amino]-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-3-hydroxy-3-methylbutanamide; 3w2o; MLS006011276; SCHEMBL982278; DTXSID10236136; EX-A088; SYN1153; TAK285/TAK-285; HMS3656J08; HMS3750E17; BCP04168; 2741AH; BDBM50358430; MFCD22124520; NSC800938; s2784; ZINC64746555; AKOS026674251; CCG-269993; CS-0774; NSC-800938; SB19365; NCGC00346699-01; NCGC00346699-06; AC-32052; AS-16291; HY-15196; SMR004703026; BCP0726000091; SW219902-1; A862854; J-522793; Q27265858; n-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutaneamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800938	.	.	.	.	548	C26H25ClF3N5O3	101	792	4.4	38	3	9	9	"InChI=1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)"	CC(C)(CC(=O)NCCN1C=CC2=C1C(=NC=N2)NC3=CC(=C(C=C3)OC4=CC=CC(=C4)C(F)(F)F)Cl)O	ZYQXEVJIFYIBHZ-UHFFFAOYSA-N
DG64804	"1[(4-benzyloxyCarbonyl)piperazine-1-yl]diazene-1-ium-1,2-dio late"	11626484	"CHEMBL1870563; NSC731700; NSC-731700; NCGC00183068-01; 1[(4-benzyloxyCarbonyl)piperazine-1-yl]diazene-1-ium-1,2-dio late"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731700	.	.	.	.	446.4	C18H18N6O8	175	697	3.2	32	0	10	6	"InChI=1S/C18H18N6O8/c25-18(31-13-14-4-2-1-3-5-14)20-8-10-21(11-9-20)24(30)19-32-17-7-6-15(22(26)27)12-16(17)23(28)29/h1-7,12H,8-11,13H2/b24-19-"	C1CN(CCN1C(=O)OCC2=CC=CC=C2)/[N+](=N/OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])/[O-]	IQCWTYLWIFKIDP-CLCOLTQESA-N
DG64805	N-(6-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamino)pyrimidin-5-yl)ethynyl)pyridin-2-yl)acetamide	11627264	CHEMBL205765; GW794726X; SCHEMBL5922814; HMS3303H16; HMS3305E23; BDBM50182913; NSC756356; NSC-756356; NCGC00242115-01; AB01092140-01; N-(6-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamino)pyrimidin-5-yl)ethynyl)pyridin-2-yl)acetamide; N-{6-[2-(4-{3-Chloro-4-[(3-fluorobenzyl)oxy]anilino}-5-pyrimidinyl)ethynyl]-2-pyridinyl}acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756356	.	.	.	.	487.9	C26H19ClFN5O2	89	761	4.8	35	2	7	8	"InChI=1S/C26H19ClFN5O2/c1-17(34)31-25-7-3-6-21(32-25)9-8-19-14-29-16-30-26(19)33-22-10-11-24(23(27)13-22)35-15-18-4-2-5-20(28)12-18/h2-7,10-14,16H,15H2,1H3,(H,29,30,33)(H,31,32,34)"	CC(=O)NC1=CC=CC(=N1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	CNRXAYAWNNSNLT-UHFFFAOYSA-N
DG64806	"1,3-Dibenzyl-5-benzoyl-6-[(2-hydroxy-3-morpholinopropyl)amino]pyrimidine-2,4(1H,3H)-dione"	11628216	"NSC735029; NSC-735029; 1,3-Dibenzyl-5-benzoyl-6-[(2-hydroxy-3-morpholinopropyl)amino]pyrimidine-2,4(1H,3H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735029	.	.	.	.	554.6	C32H34N4O5	102	930	3.7	41	2	7	11	"InChI=1S/C32H34N4O5/c37-27(23-34-16-18-41-19-17-34)20-33-30-28(29(38)26-14-8-3-9-15-26)31(39)36(22-25-12-6-2-7-13-25)32(40)35(30)21-24-10-4-1-5-11-24/h1-15,27,33,37H,16-23H2"	C1COCCN1CC(CNC2=C(C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)C5=CC=CC=C5)O	DJTLOPKCJKXUQN-UHFFFAOYSA-N
DG64807	"2-[4-(2-Chlorophenyl)piperazin-1-yl]-N-(1, 6-dihydro-4H-cyclopenta[c]thien-4-yl)acetamide dihydrochloride"	11628604	"NSC737071; NSC-737071; 2-[4-(2-Chlorophenyl)piperazin-1-yl]-N-(1, 6-dihydro-4H-cyclopenta[c]thien-4-yl)acetamide dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737071	.	.	.	.	598.2	C20H21Br2Cl2N3O2S	80.9	623	.	30	2	5	5	"InChI=1S/C20H20Br2ClN3O2S.ClH/c21-19-17-14(9-15(27)18(17)20(22)29-19)24-16(28)11-26-7-5-25(6-8-26)10-12-3-1-2-4-13(12)23;/h1-4,14H,5-11H2,(H,24,28);1H"	C1CN(CCN1CC2=CC=CC=C2Cl)CC(=O)NC3CC(=O)C4=C(SC(=C34)Br)Br.Cl	YSKFPFSYSBYTML-UHFFFAOYSA-N
DG64808	"(2Z,10E)-3-tert-butyl-7,11,15-trimethylhexadeca-2,6,10-tr ien-1-yl 5-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate"	11635544	"CHEMBL437167; NSC730233; NSC-730233; (2Z,10E)-3-tert-butyl-7,11,15-trimethylhexadeca-2,6,10-tr ien-1-yl 5-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730233	.	.	.	.	573.1	C28H46ClN2O6P	97.7	858	8.3	38	0	7	18	"InChI=1S/C28H46ClN2O6P/c1-23(2)12-10-13-24(3)14-11-15-25(28(4,5)6)18-21-35-38(34,30(7)20-9-8-19-29)36-22-26-16-17-27(37-26)31(32)33/h12,14,16-18H,8-11,13,15,19-22H2,1-7H3/b24-14+,25-18-"	CC(=CCC/C(=C/CC/C(=C/COP(=O)(N(C)CCCCCl)OCC1=CC=C(O1)[N+](=O)[O-])/C(C)(C)C)/C)C	CENMSNFMZUNZCJ-RDOXKSFNSA-N
DG64809	"1-(2-Naphthyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole"	11639084	"NSC-736994; CHEMBL373816; DTXSID90469869; NSC736994; 882971-13-3; 1-(2-Naphthyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole; 1-(naphthalen-2-yl)-2-(3,5-trimethoxyphenyl)-1H-imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736994	.	.	.	.	360.4	C22H20N2O3	45.5	463	4.5	27	0	4	5	"InChI=1S/C22H20N2O3/c1-25-19-13-17(14-20(26-2)21(19)27-3)22-23-10-11-24(22)18-9-8-15-6-4-5-7-16(15)12-18/h4-14H,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2=NC=CN2C3=CC4=CC=CC=C4C=C3	QHLHXSSILZPKFF-UHFFFAOYSA-N
DG64810	"[1-[(1,3-Dimethyl-2,6-dioxopyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-yl] benzoate"	11639615	NSC735033; NSC-735033	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735033	.	.	.	.	386.4	C20H26N4O4	82.2	624	1.7	28	1	6	8	"InChI=1S/C20H26N4O4/c1-22-17(12-18(25)23(2)20(22)27)21-13-16(14-24-10-6-7-11-24)28-19(26)15-8-4-3-5-9-15/h3-5,8-9,12,16,21H,6-7,10-11,13-14H2,1-2H3"	CN1C(=CC(=O)N(C1=O)C)NCC(CN2CCCC2)OC(=O)C3=CC=CC=C3	RLLNXIBFPJIJPW-UHFFFAOYSA-N
DG64811	(2-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]pyridine-3-carboxylate	11639785	CHEMBL198530; NSC733467; NSC-733467	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733467	.	.	.	.	393.7	C18H11ClF3N3O2	64.099	509	5.2	27	1	8	5	"InChI=1S/C18H11ClF3N3O2/c19-13-5-1-2-6-14(13)27-17(26)12-4-3-8-24-16(12)25-11-7-9-23-15(10-11)18(20,21)22/h1-10H,(H,23,24,25)"	C1=CC=C(C(=C1)OC(=O)C2=C(N=CC=C2)NC3=CC(=NC=C3)C(F)(F)F)Cl	MIMFHVQNXKUGAJ-UHFFFAOYSA-N
DG64812	Linsitinib	11640390	"Linsitinib; 867160-71-2; OSI-906; Linsitinib(OSI-906); OSI906; OSI 906; OSI-906 (Linsitinib); OSI-906AA; ASP-7487; UNII-15A52GPT8T; 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol; 15A52GPT8T; CHEMBL1091644; MMV676605; cis-3-[8-Amino-1-(2-phenyl-7-quinolinyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutanol; C26H23N5O; cis-3-(8-amino-1-(2-phenyl-7-quinolinyl)imidazo(1,5-a)pyrazin-3-yl)-1-methylcyclobutanol; (1r,3r)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutanol.; Kinome_3532; Linsitinib [USAN:INN]; Linsitinib; OSI-906; Linsitinib (USAN/INN); Linsitinib (OSI-906); MLS006010304; SCHEMBL400369; SCHEMBL400734; SCHEMBL400735; GTPL7423; CHEMBL1996234; SCHEMBL10255925; CHEBI:91402; EX-A719; QCR-128; BCPP000137; BDBM185150; DTXSID401007055; HMS3295G15; HMS3654C19; AOB87170; BCP01831; BDBM50315887; MFCD12912153; NSC756652; NSC800784; s1091; ZINC53239527; AKOS024464740; ZINC100071817; ZINC113742575; BCP9001035; CCG-264815; CS-0242; DB06075; NSC-756652; NSC-800784; PB22643; NCGC00250375-02; NCGC00250375-03; NCGC00250375-11; NCGC00250375-14; AC-26953; AS-16999; HY-10191; SMR004700744; FT-0670821; SW218150-2; X7473; D09925; SR-05000022538; J-520074; Q6554803; SR-05000022538-1; BRD-K07667918-001-01-3; Q27163260; 3-[8-amino-1-(2-phenyl-7-quinolinyl)-3-imidazo[1,5-a]pyrazinyl]-1-methyl-1-cyclobutanol; (1s,3r)-3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol; (1s,3s)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutanol; 1356958-77-4; 3-(8-amino-1-(2-phenylquinolin-7-yl)-2,3-dihydroimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutanol; 3-[8-AMINO-1-(2-PHENYL-QUINOLIN-7-YL)-IMIDAZO[1,5-A]PYRAZIN-3-YL]-1-METHYL-CYCLOBUTANOL; 3-[8-Imino-1-(2-phenylquinolin-7-yl)-7,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol; Cis-3-(8-Amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756652	.	.	.	.	421.5	C26H23N5O	89.3	663	4.2	32	2	5	3	"InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)"	CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O	PKCDDUHJAFVJJB-UHFFFAOYSA-N
DG64813	N-(2-Amino-phenyl)-4-{1-[4-(2-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide	11640567	SCHEMBL4895567; NSC735406; NSC-735406; N-(2-Amino-phenyl)-4-{1-[4-(2-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide; N-(2-Aminophenyl)-4-(1-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}vinyl)benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735406	.	.	.	.	430.5	C26H27FN4O	61.6	627	4.6	32	2	5	6	"InChI=1S/C26H27FN4O/c1-19(18-30-14-16-31(17-15-30)25-9-5-2-6-22(25)27)20-10-12-21(13-11-20)26(32)29-24-8-4-3-7-23(24)28/h2-13H,1,14-18,28H2,(H,29,32)"	C=C(CN1CCN(CC1)C2=CC=CC=C2F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N	KRYHMGNCIHZKPA-UHFFFAOYSA-N
DG64814	NSC731098	11643654	"7-[4-[[5-Bromo-3-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]imino-2-oxoindol-1-yl]methyl]-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid; NSC731098; NSC-731098"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731098	.	.	.	.	905.7	C40H38BrFN8O9S	205	1800	3.4	60	2	17	12	"InChI=1S/C40H38BrFN8O9S/c1-21-17-47(33-29(42)16-27-32(35(33)57-2)49(24-8-9-24)18-28(34(27)51)40(53)54)13-14-48(21)20-50-30-12-5-22(41)15-26(30)31(39(50)52)45-23-6-10-25(11-7-23)60(55,56)46-37-36(58-3)38(59-4)44-19-43-37/h5-7,10-12,15-16,18-19,21,24H,8-9,13-14,17,20H2,1-4H3,(H,53,54)(H,43,44,46)"	CC1CN(CCN1CN2C3=C(C=C(C=C3)Br)C(=NC4=CC=C(C=C4)S(=O)(=O)NC5=C(C(=NC=N5)OC)OC)C2=O)C6=C(C=C7C(=C6OC)N(C=C(C7=O)C(=O)O)C8CC8)F	VWSBGYNTZOPTSR-UHFFFAOYSA-N
DG64815	"N3-(4-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,4-diamine"	11644425	"CGP 57380; 522629-08-9; CGP-57380; MNK1 Inhibitor; N3-(4-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,4-diamine; CGP57380; 3-N-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine; CHEMBL1240885; C11H9FN6; SCHEMBL987991; GTPL6010; SCHEMBL16714452; CHEBI:92749; DTXSID50469941; HMS3229K20; HMS3263L14; HMS3269P13; HMS3413D16; HMS3648M14; HMS3653G22; HMS3673K05; HMS3677D16; BCP27993; Tox21_501256; 2314AH; BDBM50130693; BDBM50298223; MFCD03861062; NSC741567; s7421; ZINC13816313; AKOS024457265; CCG-206868; LP01256; NSC 741567; NSC-741567; SDCCGSBI-0086774.P002; CGP57380;CGP-57380; NCGC00162380-01; NCGC00162380-02; NCGC00162380-03; NCGC00162380-06; NCGC00162380-09; NCGC00261941-01; AS-56092; QC-10494; B3570; MNK1 Inhibitor - CAS 522629-08-9; SW219758-1; CGP 57380, >=98% (HPLC); C75450; A902707; SR-02000000869; SR-02000000869-2; BRD-K42500029-001-01-9; Q27087429; N-(4-fluorophenyl)-3H-pyrazolo[3,4-d]pyrimidine-3,4-diamine; 3-N-(4-Fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine; N3-(4-Fluorophenyl)-1H-pyrazolo-[3,4-d]pyrimidine-3,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741567	.	.	.	.	244.23	C11H9FN6	92.5	283	2.3	18	3	6	2	"InChI=1S/C11H9FN6/c12-6-1-3-7(4-2-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)"	C1=CC(=CC=C1NC2=C3C(=NC=NC3=NN2)N)F	UQPMANVRZYYQMD-UHFFFAOYSA-N
DG64816	"1-[(4-Methoxycarbonyl)piperazine-1-yl]diazene-1-ium-1,2-diol ate"	11646385	"CHEMBL512379; NSC731698; NSC-731698; NCGC00168167-01; 1-[(4-Methoxycarbonyl)piperazine-1-yl]diazene-1-ium-1,2-diol ate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731698	.	.	.	.	370.28	C12H14N6O8	175	567	1.7	26	0	10	4	"InChI=1S/C12H14N6O8/c1-25-12(19)14-4-6-15(7-5-14)18(24)13-26-11-3-2-9(16(20)21)8-10(11)17(22)23/h2-3,8H,4-7H2,1H3/b18-13-"	COC(=O)N1CCN(CC1)/[N+](=N/OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/[O-]	VUWQXQXCPDFPCD-AQTBWJFISA-N
DG64817	"4,4'-(6-(2-(Difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine"	11647372	"ZSTK474; 475110-96-4; ZSTK-474; 4,4'-(6-(2-(Difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine; ZSTK 474; TCMDC-137004; UNII-K0068GK39A; 2-(2-Difluoromethylbenzimidazol-1-yl)-4,6-bis(morpholino)-1,3,5-triazine; CHEMBL586702; CHEBI:90545; K0068GK39A; 2-(2-difluoromethylbenzimidazol-1-yl)-4,6-dimorpholino-1,3,5-triazine; 2-(Difluoromethyl)-1-(4,6-Dimorpholin-4-Yl-1,3,5-Triazin-2-Yl)-1h-Benzimidazole; C19H21F2N7O2; 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine; 2wxl; SCHEMBL373282; GTPL7965; QCR-72; DTXSID30197179; SYN1099; BCPP000001; HMS2043A02; HMS3265I19; HMS3265I20; HMS3265J19; HMS3265J20; HMS3654I15; BCP01867; EX-A2207; ZINC1912926; BDBM50315213; MFCD08705334; NSC764516; NSC800993; AKOS005145982; CCG-264806; CS-0083; DB12904; EX-3329; NSC-764516; NSC-800993; SB17043; NCGC00346484-01; NCGC00346484-08; AC-28418; AS-16245; HY-50847; ETHYL3-BROMOTHIOPHENE-2-CARBOXYLATE; FT-0651454; S1072; SW220182-1; X7419; EC-000.2321; F15198; 110Z964; J-513955; BRD-K63068307-001-01-4; Q27089303; 1-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]-2-(difluoromethyl)-1H-benzimidazole; 2-(difluoromethyl)-1-(4,6-dimorpholino-1,3,5-triazin-2-yl)-1H-benzo[d]imidazole;ZSTK474; 2-(difluoromethyl)-1-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]-1H-benzimidazole; 2-(difluoromethyl)-1-[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]benzimidazole; 4,4''-(6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine; 4,4-(6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine; ZS4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764516	.	.	.	.	417.4	C19H21F2N7O2	81.4	539	2.3	30	0	10	4	"InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2"	C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5	HGVNLRPZOWWDKD-UHFFFAOYSA-N
DG64818	"(2,4,6-Trichlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate"	11648315	CHEMBL362165; NSC731824; NSC-731824	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731824	.	.	.	.	461.6	C19H10Cl3F3N2O2	51.2	557	7.2	29	1	7	5	"InChI=1S/C19H10Cl3F3N2O2/c20-10-7-13(21)17(14(22)8-10)29-18(28)12-3-1-2-4-15(12)27-11-5-6-26-16(9-11)19(23,24)25/h1-9H,(H,26,27)"	C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)NC3=CC(=NC=C3)C(F)(F)F	SHZLSISLZMITNJ-UHFFFAOYSA-N
DG64819	6-[(2E)-2-hydroxyimino-2-phenylethoxy]-2-phenylchromen-4-one	11653610	CHEMBL472705; NSC729145; NSC-729145	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729145	.	.	.	.	371.4	C23H17NO4	68.1	602	5.6	28	1	5	5	"InChI=1S/C23H17NO4/c25-21-14-23(17-9-5-2-6-10-17)28-22-12-11-18(13-19(21)22)27-15-20(24-26)16-7-3-1-4-8-16/h1-14,26H,15H2/b24-20-"	C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)OC/C(=N/O)/C4=CC=CC=C4	SWLRPVVJEYDRSG-GFMRDNFCSA-N
DG64820	NSC780965	11655511	"(2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide; MK-0731; 845256-65-7; ALR-3456; UNII-8HIJ5G3O02; 8HIJ5G3O02; CHEMBL481931; (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide; (S)-4-(2,5-difluorophenyl)-N-((3R,4S)-3-fluoro-1-methylpiperidin-4-yl)-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide.; MK 0731; SCHEMBL367768; C25H28F3N3O2; EX-A1589; BDBM50252149; NSC780965; ZINC14209414; DB08037; NSC-780965; (S)-4-(2,5-difluorophenyl)-N-((3R,4S)-3-fluoro-1-methylpiperidin-4-yl)-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide; Y0331; (-)-MK-0731; Q27097270; (2s)-4-(2,5-difluorophenyl)-n-[(3r,4s)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-n-methyl-2-phenyl-2.5-dihydro-1h-pyrrole-1-carboxamide; (5S)-3-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-(hydroxymethyl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide; (S)-4-(2,5-difluorophenyl)-N-((3R,4S)-3-fluoro-1-methylpiperidin-4-yl)-2-(hydroxymethyl)-N-methyl-2-phenyl-2H-pyrrole-1(5H)-carboxamide; 1H-Pyrrole-1-carboxamide, 4-(2,5-difluorophenyl)-N-((3R,4S)-3-fluoro-1-methyl-4-piperidinyl)-2,5-dihydro-2-(hydroxymethyl)-N-methyl-2-phenyl-, (2S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780965	.	.	.	.	459.5	C25H28F3N3O2	47	732	2.8	33	1	6	4	"InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25-/m1/s1"	CN1CC[C@@H]([C@@H](C1)F)N(C)C(=O)N2CC(=C[C@@]2(CO)C3=CC=CC=C3)C4=C(C=CC(=C4)F)F	MYBGWENAVMIGMM-GIFXNVAJSA-N
DG64821	N-(3-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamino)pyrimidin-5-yl)ethynyl)phenyl)acetamide	11656050	GW703087X; CHEMBL205798; SCHEMBL5922836; HMS3303B15; HMS3305L21; BDBM50182891; NSC756324; NSC-756324; NCGC00242094-01; AB01092138-01; N-(3-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamino)pyrimidin-5-yl)ethynyl)phenyl)acetamide; N-(3-{[4-({3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)pyrimidin-5-yl]ethynyl}phenyl)acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756324	.	.	.	.	486.9	C27H20ClFN4O2	76.1	758	5.5	35	2	6	8	"InChI=1S/C27H20ClFN4O2/c1-18(34)32-23-7-3-4-19(13-23)8-9-21-15-30-17-31-27(21)33-24-10-11-26(25(28)14-24)35-16-20-5-2-6-22(29)12-20/h2-7,10-15,17H,16H2,1H3,(H,32,34)(H,30,31,33)"	CC(=O)NC1=CC=CC(=C1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	KHQLMFFPQINCMZ-UHFFFAOYSA-N
DG64823	Akt1 and Akt2-IN-1	11656753	"Akt1 and Akt2-IN-1; 893422-47-4; Akt Inhibitor 17; CHEMBL507130; 3-phenyl-2-[4-[[4-[5-(2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-piperidinyl]methyl]phenyl]-1,6-Naphthyridin-5(6H)-one; SCHEMBL1059047; BDBM50256713; NSC789224; ZINC42834601; AKOS030260386; CS-5181; NSC-789224; SB19240; NCGC00485474-01; HY-50862; DB-010910; FT-0765056; A856165; 3-phenyl-2-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)-1,6-naphthyridin-5(6H)-one; 3-phenyl-2-(4-{[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl}phenyl)-1,6-naphthyridin-5(6H)-one; 3-phenyl-2-[4-({4-[3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl}methyl)phenyl]-5,6-dihydro-1,6-naphthyridin-5-one; 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789224	.	.	.	.	539.6	C33H29N7O	99.7	892	4.4	41	2	6	6	"InChI=1S/C33H29N7O/c41-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)13-17-35-33)24-11-9-22(10-12-24)21-40-18-14-25(15-19-40)31-37-32(39-38-31)29-8-4-5-16-34-29/h1-13,16-17,20,25H,14-15,18-19,21H2,(H,35,41)(H,37,38,39)"	C1CN(CCC1C2=NC(=NN2)C3=CC=CC=N3)CC4=CC=C(C=C4)C5=C(C=C6C(=N5)C=CNC6=O)C7=CC=CC=C7	BTUWHHFNOHVCMQ-UHFFFAOYSA-N
DG64824	"N-(1,3-benzodioxol-5-yl)furo[2,3-b]quinolin-4-amine"	11659481	NSC727805; NSC-727805	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727805	.	.	.	.	304.3	C18H12N2O3	56.5	435	4.1	23	1	5	2	"InChI=1S/C18H12N2O3/c1-2-4-14-12(3-1)17(13-7-8-21-18(13)20-14)19-11-5-6-15-16(9-11)23-10-22-15/h1-9H,10H2,(H,19,20)"	C1OC2=C(O1)C=C(C=C2)NC3=C4C=COC4=NC5=CC=CC=C53	PNJWGZDYECNMMK-UHFFFAOYSA-N
DG64826	N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)-5-(2-(4-aminophenyl)ethynyl)pyrimidin-4-amine	11669455	GW659893X; CHEMBL205966; SCHEMBL5922876; HMS3304H01; HMS3305E20; BDBM50182910; NSC756302; NSC-756302; NCGC00242242-01; AB01092137-01; N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)-5-(2-(4-aminophenyl)ethynyl)pyrimidin-4-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756302	.	.	.	.	444.9	C25H18ClFN4O	73.1	646	5.6	32	2	6	7	"InChI=1S/C25H18ClFN4O/c26-23-13-22(10-11-24(23)32-15-18-2-1-3-20(27)12-18)31-25-19(14-29-16-30-25)7-4-17-5-8-21(28)9-6-17/h1-3,5-6,8-14,16H,15,28H2,(H,29,30,31)"	C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC=C3C#CC4=CC=C(C=C4)N)Cl	PTARQPWAPBTGAG-UHFFFAOYSA-N
DG64827	NSC736870	11670014	"(2R,3S)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxoheptadeca-1,3,7,9-tetraenyl]-3-methyl-2,3-dihydropyran-6-one; CHEMBL200306; NSC736870; NSC-736870"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736870	.	.	.	.	470.7	C30H46O4	63.6	814	7.9	34	1	4	13	"InChI=1S/C30H46O4/c1-9-22(5)29(32)25(8)30(33)24(7)18-20(3)12-11-13-21(4)19-26(10-2)15-16-27-23(6)14-17-28(31)34-27/h11-12,14-19,21-25,27,29,32H,9-10,13H2,1-8H3/b12-11+,16-15+,20-18+,26-19-/t21-,22+,23+,24-,25+,27-,29-/m1/s1"	CC[C@H](C)[C@H]([C@H](C)C(=O)[C@H](C)/C=C(\\C)/C=C/C[C@@H](C)/C=C(/CC)\\C=C\\[C@@H]1[C@H](C=CC(=O)O1)C)O	WWNRMMIDGQJVCO-ZSQVVOHQSA-N
DG64828	"[1-[(1,3-Dibenzyl-2,6-dioxopyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-yl] benzoate"	11671069	NSC735031; NSC-735031	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735031	.	.	.	.	538.6	C32H34N4O4	82.2	883	4.7	40	1	6	12	"InChI=1S/C32H34N4O4/c37-30-20-29(33-21-28(24-34-18-10-11-19-34)40-31(38)27-16-8-3-9-17-27)35(22-25-12-4-1-5-13-25)32(39)36(30)23-26-14-6-2-7-15-26/h1-9,12-17,20,28,33H,10-11,18-19,21-24H2"	C1CCN(C1)CC(CNC2=CC(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)OC(=O)C5=CC=CC=C5	UZFLHKCBIXEKQY-UHFFFAOYSA-N
DG64829	Fostamatinib	11671467	"Fostamatinib; 901119-35-5; R788; Fostamatinib (R788); Tavalisse; UNII-SQ8A3S5101; [6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate; Fostamatinib(R788); R-788 Free acid; R 788; R-788; R788 FREE ACID; R-935788 Free acid; R935788 FREE ACID; SQ8A3S5101; R7935788; [6-({5-Fluoro-2-[(3,4,5-Trimethoxyphenyl)amino]pyrimidin-4-Yl}amino)-2,2-Dimethyl-3-Oxo-2,3-Dihydro-4h-Pyrido[3,2-B][1,4]oxazin-4-Yl]methyl Dihydrogen Phosphate; 2H-Pyrido(3,2-b)-1,4-oxazin-3(4H)-one, 6-((5-fluoro-2-((3,4,5-trimethoxyphenyl)amino)-4-pyrimidinyl)amino)-2,2-dimethyl-4-((phosphonooxy)methyl)-; R788 compound; Fostamatinib [USAN:INN]; Tavlesse; R-935788; 2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-4-[(phosphonooxy)methyl]-; R 788 compound; Fostamatinib (USAN); R788 (Fostamatinib); GTPL7796; QCR-82; SCHEMBL1201371; CHEMBL2103830; EX-A108; BCPP000226; HMS3651H09; BCP01871; BDBM50431381; HY-13038A; MFCD16628163; NSC800102; s2625; ZINC43131420; AKOS025404920; AM81257; BCP9000704; CCG-270128; DB12010; NSC-800102; PB25570; NCGC00346622-01; NCGC00346622-02; [6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxo-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate; AC-30126; AS-56399; FT-0699180; SW219234-1; D09347; A857764; J-517972; Q5473550; R788;R7935788;R 788;R 7935788;R-788;R-7935788; (6-((5-Fluoro-2-((3,4,5-trimethoxyphenyl)amino)pyrimidin-4-yl)amino)-2,2-dimethyl-3-oxo-2H-pyrido[3,2-b][1,4]oxazin-4(3H)-yl)methyl dihydrogen phosphate; (6-(5-fluoro-2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-ylamino)-2,2-dimethyl-3-oxo-2H-pyrido[3,2-b][1,4]oxazin-4(3H)-yl)methyl dihydrogen phosphate; [6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[2,3-e][1,4]oxazin-4-yl]methyl dihydrogen phosphate; 2RC; 6-((5-Fluoro-2-((3,4,5-trimethoxyphenyl)amino)-4-pyrimidinyl)amino)-2,2-dimethyl-4-((phosphonooxy)methyl)-2h-pyrido(3,2-b)-1,4-oxazi n-3(4h)-one; 6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-4-[(phosphonooxy)methyl]-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one; R 788; 6-[[5-Fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-4-[(phosphonooxy)methyl]-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800102	.	.	.	.	580.5	C23H26FN6O9P	187	904	1.6	40	4	15	10	"InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29)"	CC1(C(=O)N(C2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)COP(=O)(O)O)C	GKDRMWXFWHEQQT-UHFFFAOYSA-N
DG64830	1-[3-[(6-Methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone	11675057	NSC727485; NSC-727485	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727485	.	.	.	.	368.4	C24H20N2O2	51.2	519	5	28	1	4	5	"InChI=1S/C24H20N2O2/c1-16(27)18-9-6-10-19(13-18)25-24-15-23(17-7-4-3-5-8-17)26-22-12-11-20(28-2)14-21(22)24/h3-15H,1-2H3,(H,25,26)"	CC(=O)C1=CC(=CC=C1)NC2=CC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4	YAFZXMZSXFRLPL-UHFFFAOYSA-N
DG64831	"1-[6-[(3-Chlorofuro[2,3-b]quinolin-4-yl)amino]-1,3-benzodioxol-5-yl]ethanone"	11675324	NSC727801; NSC-727801	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727801	.	.	.	.	380.8	C20H13ClN2O4	73.6	578	4.9	27	1	6	3	"InChI=1S/C20H13ClN2O4/c1-10(24)12-6-16-17(27-9-26-16)7-15(12)22-19-11-4-2-3-5-14(11)23-20-18(19)13(21)8-25-20/h2-8H,9H2,1H3,(H,22,23)"	CC(=O)C1=CC2=C(C=C1NC3=C4C(=COC4=NC5=CC=CC=C53)Cl)OCO2	CVQQQJCBXBNPRU-UHFFFAOYSA-N
DG64832	"N-(2-aminophenyl)-3-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]propanamide"	11675955	SCHEMBL8268262; NSC733253; NSC-733253	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733253	.	.	.	.	411.5	C27H29N3O	58.4	597	4.7	31	2	3	7	"InChI=1S/C27H29N3O/c1-20(18-30-17-16-23-6-2-3-7-24(23)19-30)22-13-10-21(11-14-22)12-15-27(31)29-26-9-5-4-8-25(26)28/h2-11,13-14H,1,12,15-19,28H2,(H,29,31)"	C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)CCC(=O)NC4=CC=CC=C4N	HHPCBQRXTLXFJC-UHFFFAOYSA-N
DG64833	"2-(4-Amino-6-phenylpiperazin-1-yl-1,5-triazin-2-yl)-2-{[4-(dimethylamino)phenyl]imino}-acetonitrile"	11676277	"NSC729113; NSC-729113; 2-(4-amino-6-phenylpiperazin-1-yl-1,5-triazin-2-yl)-2-{[4- (dimethylamino)phenyl]imino}-acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729113	.	.	.	.	427.5	C23H25N9	111	664	3.6	32	1	9	5	"InChI=1S/C23H25N9/c1-30(2)18-10-8-17(9-11-18)26-20(16-24)21-27-22(25)29-23(28-21)32-14-12-31(13-15-32)19-6-4-3-5-7-19/h3-11H,12-15H2,1-2H3,(H2,25,27,28,29)"	CN(C)C1=CC=C(C=C1)N=C(C#N)C2=NC(=NC(=N2)N3CCN(CC3)C4=CC=CC=C4)N	IVJUYPMFEPJWJQ-UHFFFAOYSA-N
DG64835	NSC754345	11676971	"4-cyano-N-(5-(1-(2-(dimethylamino)acetyl)piperidin-4-yl)-2',3',4',5'-tetrahydro-[1,1'-biphenyl]-2-yl)-1H-imidazole-2-carboxamide; 885692-52-4; JNJ-28312141; 4-cyano-N-(5-(1-(2-(dimethylamino)acetyl)piperidin-4-yl)-2',3',4',5'-tetrahydro-[1,1'-biphenyl]-2-yl)-1H-imidazole-2-carboxamide; JNJ-28312141 free base; UNII-YKQ241VJ92; JNJ-28312141 HCl; YKQ241VJ92; CHEMBL1908842; 1149939-55-8 (free base); 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide; C26H32N6O2; CHEMBL1908395; JNJ 28312141; 4-Cyano-1H-imidazole-2-carboxylic acid {2-cyclohex-1-enyl-4-[1-(2-dimethylamino-acetyl)-piperidin-4-yl]-phenyl]-amide; 4-Cyano-1H-imidazole-2-carboxylic acid {2-cyclohex-1-enyl-4-[1-(2-dimethylamino-acetyl)-piperidin-4-yl]-phenyl}-amide; GTPL5689; SCHEMBL4981038; SCHEMBL20484783; DTXSID70237129; SYN1154; BCP28018; BDBM50355499; NSC754345; ZINC38226716; NSC-754345; NCGC00345853-01; NCGC00345853-02; 1H-Imidazole-2-carboxamide, 5-cyano-n-(2-(1-cyclohexen-1-yl)-4-(1-(2-(dimethylamino)acetyl)-4-piperidinyl)phenyl)-; A900060; JNJ28312141; JNJ 28312141; HCl Salt of Free Base-JNJ-28312141 (CSFR-1); Q27887253; 1H-Imidazole-2 carboxamide, 5-cyano-N-[2-(1-cyclohexen-1-yl)-4-[1-[2(dimethylamino) acetyl]-4-piperidinyl] phenyl]-, hydrochloride (1:1); 4-cyano-1h-imidazole-2-carboxylic acid{2-cyclohex-1-enyl-4-[1-(2-dimethylamino-acetyl)-piperidin-4-yl]-phenyl}-amide; 4-cyano-N-[2-(cyclohex-1-en-1-yl)-4-{1-[2-(dimethylamino)acetyl]piperidin-4-yl}phenyl]-1H-imidazole-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754345	.	.	.	.	460.6	C26H32N6O2	105	809	3.1	34	2	5	6	"InChI=1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34)"	CN(C)CC(=O)N1CCC(CC1)C2=CC(=C(C=C2)NC(=O)C3=NC=C(N3)C#N)C4=CCCCC4	GUBJNPWVIUFSTR-UHFFFAOYSA-N
DG64836	Tyverb	11679357	Lapatinib Ditosylate; CHEMBL1076241; Tykerb; Tyverb; S1028; MLS004774143; SCHEMBL1374543; NSC727989; NSC-727989; SMR002544679; FT-0670729	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727989	.	.	.	.	753.3	C36H34ClFN4O7S2	178	1100	.	51	3	12	12	"InChI=1S/C29H26ClFN4O4S.C7H8O3S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19;1-6-2-4-7(5-3-6)11(8,9)10/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);2-5H,1H3,(H,8,9,10)"	CC1=CC=C(C=C1)S(=O)(=O)O.CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	OZDXXJABMOYNGY-UHFFFAOYSA-N
DG64837	"N-(2-aminophenyl)-4-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)prop-1-en-2-yl]benzamide"	11682081	SCHEMBL5159387; NSC736099; NSC-736099	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736099	.	.	.	.	364.4	C20H20N4O3	95.7	612	2	27	2	4	5	"InChI=1S/C20H20N4O3/c1-13(11-24-18(25)12-23(2)20(24)27)14-7-9-15(10-8-14)19(26)22-17-6-4-3-5-16(17)21/h3-10H,1,11-12,21H2,2H3,(H,22,26)"	CN1CC(=O)N(C1=O)CC(=C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N	IANVHDRKFUOXKU-UHFFFAOYSA-N
DG64838	(3-Methoxyphenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate	11682519	CHEMBL365282; NSC731819; NSC-731819	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731819	.	.	.	.	388.3	C20H15F3N2O3	60.4	517	5.2	28	1	8	6	"InChI=1S/C20H15F3N2O3/c1-27-14-5-4-6-15(12-14)28-19(26)16-7-2-3-8-17(16)25-13-9-10-24-18(11-13)20(21,22)23/h2-12H,1H3,(H,24,25)"	COC1=CC(=CC=C1)OC(=O)C2=CC=CC=C2NC3=CC(=NC=C3)C(F)(F)F	CKIDAJRBMGKAPF-UHFFFAOYSA-N
DG64839	(4-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate	11682621	CHEMBL185845; NSC731821; NSC-731821	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731821	.	.	.	.	392.8	C19H12ClF3N2O2	51.2	498	5.9	27	1	7	5	"InChI=1S/C19H12ClF3N2O2/c20-12-5-7-14(8-6-12)27-18(26)15-3-1-2-4-16(15)25-13-9-10-24-17(11-13)19(21,22)23/h1-11H,(H,24,25)"	C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)Cl)NC3=CC(=NC=C3)C(F)(F)F	UFWWXIDUDYRLLY-UHFFFAOYSA-N
DG64840	"1,3-Dibenzyl-6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-2,4-dione"	11683496	NSC735030; NSC-735030	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735030	.	.	.	.	434.5	C25H30N4O3	76.1	664	2.5	32	2	5	9	"InChI=1S/C25H30N4O3/c30-22(19-27-13-7-8-14-27)16-26-23-15-24(31)29(18-21-11-5-2-6-12-21)25(32)28(23)17-20-9-3-1-4-10-20/h1-6,9-12,15,22,26,30H,7-8,13-14,16-19H2"	C1CCN(C1)CC(CNC2=CC(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)O	HAJHEWRQJQZOMA-UHFFFAOYSA-N
DG64841	"1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole"	11688687	"NSC-735354; CHEMBL374750; DTXSID00470668; NSC735354; 882971-09-7; 1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole; 1-(4-methoxyphenyl)-2-(3,5-trimethoxyphenyl)-1H-imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735354	.	.	.	.	340.4	C19H20N2O4	54.7	389	3.2	25	0	5	6	"InChI=1S/C19H20N2O4/c1-22-15-7-5-14(6-8-15)21-10-9-20-19(21)13-11-16(23-2)18(25-4)17(12-13)24-3/h5-12H,1-4H3"	COC1=CC=C(C=C1)N2C=CN=C2C3=CC(=C(C(=C3)OC)OC)OC	PIGRRCXHADUOIM-UHFFFAOYSA-N
DG64842	"1-[3-[5-(4-Chlorophenyl)furan-2-yl]-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	11690083	NSC736165; NSC-736165	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736165	.	.	.	.	410.9	C22H19ClN2O2S	71.1	585	4.6	28	0	4	4	"InChI=1S/C22H19ClN2O2S/c1-14(26)25-20(13-19(24-25)15-5-9-18(28-2)10-6-15)22-12-11-21(27-22)16-3-7-17(23)8-4-16/h3-12,20H,13H2,1-2H3"	CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)SC)C3=CC=C(O3)C4=CC=C(C=C4)Cl	HKJLXVRERVMXLF-UHFFFAOYSA-N
DG64843	"2-amino-4-(4-chlorophenyl)-6-oxo-1-[(E)-1-pyridin-3-ylethylideneamino]pyridine-3,5-dicarbonitrile"	11696754	NSC734789; NSC-734789	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734789	.	.	.	.	388.8	C20H13ClN6O	119	846	2.4	28	1	6	3	"InChI=1S/C20H13ClN6O/c1-12(14-3-2-8-25-11-14)26-27-19(24)16(9-22)18(17(10-23)20(27)28)13-4-6-15(21)7-5-13/h2-8,11H,24H2,1H3/b26-12+"	C/C(=N\\N1C(=C(C(=C(C1=O)C#N)C2=CC=C(C=C2)Cl)C#N)N)/C3=CN=CC=C3	PUZDFLZNJZXOKP-RPPGKUMJSA-N
DG64844	"1,7-Difluoro-3-(4-methyl)phenylquinox aline"	11702372	"CHEMBL1209220; NSC726184; NSC-726184; 1,7-difluoro-3-(4-methyl)phenylquinox aline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726184	.	.	.	.	313.26	C16H9F2N3O2	70.2	577	2.2	23	0	6	1	"InChI=1S/C16H9F2N3O2/c1-9-2-4-10(5-3-9)16-15(8-19)20(22)13-6-11(17)12(18)7-14(13)21(16)23/h2-7H,1H3"	CC1=CC=C(C=C1)C2=C([N+](=O)C3=CC(=C(C=C3N2[O-])F)F)C#N	LGEONMJCMKTLMZ-UHFFFAOYSA-N
DG64845	N-(2-Amino-phenyl)-4-{1-[4-(3-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide	11704671	SCHEMBL4898854; NSC735407; NSC-735407; N-(2-Amino-phenyl)-4-{1-[4-(3-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide; n-(2-aminophenyl)-4-(1-{[4-(3-fluorophenyl)piperazin-1-yl]methyl}vinyl)benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735407	.	.	.	.	430.5	C26H27FN4O	61.6	627	4.6	32	2	5	6	"InChI=1S/C26H27FN4O/c1-19(18-30-13-15-31(16-14-30)23-6-4-5-22(27)17-23)20-9-11-21(12-10-20)26(32)29-25-8-3-2-7-24(25)28/h2-12,17H,1,13-16,18,28H2,(H,29,32)"	C=C(CN1CCN(CC1)C2=CC(=CC=C2)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N	RHPJERGEAGJTDM-UHFFFAOYSA-N
DG64846	Methyl 5-benzyl-11-methylidene-2-[(4-nitrophenyl)methoxycarbonyloxy]-6-oxobenzo[b]carbazole-1-carboxylate	11706969	NSC734758; NSC-734758	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734758	.	.	.	.	588.6	C34H24N2O8	130	1110	6.8	44	0	8	9	"InChI=1S/C34H24N2O8/c1-20-24-10-6-7-11-25(24)32(37)31-28(20)29-26(35(31)18-21-8-4-3-5-9-21)16-17-27(30(29)33(38)42-2)44-34(39)43-19-22-12-14-23(15-13-22)36(40)41/h3-17H,1,18-19H2,2H3"	COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=C)OC(=O)OCC6=CC=C(C=C6)[N+](=O)[O-]	XAXYFOYGFGDGJB-UHFFFAOYSA-N
DG64848	"1-[3-(4-Fluorophenyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	11709663	NSC736162; NSC-736162	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736162	.	.	.	.	328.4	C18H17FN2OS	58	454	3.3	23	0	4	3	"InChI=1S/C18H17FN2OS/c1-12(22)21-18(14-3-7-15(19)8-4-14)11-17(20-21)13-5-9-16(23-2)10-6-13/h3-10,18H,11H2,1-2H3"	CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)F	YTXPSXPDRDNSJL-UHFFFAOYSA-N
DG64849	"2-Cyano-6,7-dichloro-3-(4-chloro)phenylquinoxaline"	11709772	"NSC727200; NSC-727200; 2-cyano-6,7-dichloro-3-(4-chloro)phenylquinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727200	.	.	.	.	334.6	C15H6Cl3N3	49.6	416	4.8	21	0	3	1	InChI=1S/C15H6Cl3N3/c16-9-3-1-8(2-4-9)15-14(7-19)20-12-5-10(17)11(18)6-13(12)21-15/h1-6H	C1=CC(=CC=C1C2=NC3=CC(=C(C=C3N=C2C#N)Cl)Cl)Cl	PBGZBJWEADBMEQ-UHFFFAOYSA-N
DG64850	N-(2-aminophenyl)-4-{1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]vinyl}benzamide	11711325	SCHEMBL4895887; NSC729999; NSC-729999; N-(2-Amino-phenyl)-4-{1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]vinyl}benzamide; N-(2-aminophenyl)-4-{1-[(4-pyridin-2-ylpiperazin-1-yl)methyl ]vinyl}benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729999	.	.	.	.	413.5	C25H27N5O	74.5	595	3.8	31	2	5	6	"InChI=1S/C25H27N5O/c1-19(18-29-14-16-30(17-15-29)24-8-4-5-13-27-24)20-9-11-21(12-10-20)25(31)28-23-7-3-2-6-22(23)26/h2-13H,1,14-18,26H2,(H,28,31)"	C=C(CN1CCN(CC1)C2=CC=CC=N2)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N	XHKXHRHDEKHOBA-UHFFFAOYSA-N
DG64851	"4-Chloro-3-(5-methyl-3-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)amino)benzo[e][1,2,4]triazin-7-yl)phenol"	11712625	"867334-05-2; TG 100572; 4-chloro-3-(5-methyl-3-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)amino)benzo[e][1,2,4]triazin-7-yl)phenol; TG-100572; 4-chloro-3-(5-methyl-3-(4-(2-(pyrrolidin-1-yl)ethoxy)phenylamino)benzo[e][1,2,4]triazin-7-yl)phenol; TG100572; CHEMBL400402; 4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol; Phenol, 4-chloro-3-(5-methyl-3-((4-(2-(1-pyrrolidinyl)ethoxy)phenyl)amino)-1,2,4-benzotriazin-7-yl)-; Phenol, 4-chloro-3-[5-Methyl-3-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]aMino]-1,2,4-benzotriazin-7-yl]-; SCHEMBL4269019; AMY20612; BCP18234; 4121AH; BDBM50221566; NSC800949; ZINC14025557; CS-0783; NSC-800949; NCGC00378690-01; HY-10184; A916936; US8481536, 449; US8481536, 597"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800949	.	.	.	.	476	C26H26ClN5O2	83.4	630	5.3	34	2	7	7	"InChI=1S/C26H26ClN5O2/c1-17-14-18(22-16-20(33)6-9-23(22)27)15-24-25(17)29-26(31-30-24)28-19-4-7-21(8-5-19)34-13-12-32-10-2-3-11-32/h4-9,14-16,33H,2-3,10-13H2,1H3,(H,28,29,31)"	CC1=CC(=CC2=C1N=C(N=N2)NC3=CC=C(C=C3)OCCN4CCCC4)C5=C(C=CC(=C5)O)Cl	AQSSMEORRLJZLU-UHFFFAOYSA-N
DG64852	PF-00562271 free base	11713159	"PF-562271; 717907-75-0; PF562271; PF-562271 free base; PF 562271; PF-00562271 free base; CHEMBL1084546; N-METHYL-N-[3-[[[2-[(2-OXO-2,3-DIHYDRO-1H-INDOL-5-YL)AMINO]-5-TRIFLUOROMETHYLPYRIMIDIN-4-YL]AMINO]METHYL]PYRIDIN-2-YL]METHANESULFONAMIDE; UNII-K5BX8ZA7UF; 717907-75-0 (free base); K5BX8ZA7UF; N-[3-[[[2-[(2,3-Dihydro-2-oxo-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]-2-pyridinyl]-N-methyl-methanesulfonamide; N-methyl-N-(3-(((2-((2-oxoindolin-5-yl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)methyl)pyridin-2-yl)methanesulfonamide; PF562271 besylate;PF 562271 besylate; PF-562,271; N-methyl-N-(3-((2-(2-oxoindolin-5-ylamino)-5-(trifluoromethyl)pyrimidin-4-ylamino)methyl)pyridin-2-yl)methanesulfonamide; N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide; C21H20F3N7O3S; N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide; Kinome_3857; 3bz3; MLS006011245; GTPL9381; SCHEMBL1206959; CHEBI:91370; DTXSID10471000; SYN1064; BCPP000114; HMS3244K07; HMS3244K08; HMS3244L07; HMS3265M11; HMS3265M12; HMS3265N11; HMS3265N12; HMS3651D06; AMY21304; AOB87146; BCP01852; EX-A1385; 2646AH; BDBM50318884; MFCD16038299; NSC754356; NSC800849; s2890; ZINC34638188; AKOS015904318; CCG-265006; NSC-754356; NSC-800849; PF-562271- (FAK); NCGC00242495-01; NCGC00242495-18; AC-27466; AS-16220; HY-10459; QC-11817; SMR004703004; FT-0711878; SW219484-2; J3.654.805C; PF-562,271-26; 907M750; SR-00000003721; J-521695; SR-00000003721-2; BRD-K99545815-001-01-4; Q27163236; Methanesulfonamide, n-[3-[[[2-[(2,3-dihydro-2-oxo-1h-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]-2-pyridinyl]- n-methyl-; Methanesulfonamide, N-[3-[[[2-[(2,3-dihydro-2-oxo-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]-2-pyridinyl]-N-methyl; n-[3-[[[2-[(2,3-dihydro-2-oxo-1h-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]-2-pyridinyl]-n-methylmethanesulfonamide; N-[3-[[[2-[(2,3-H-2-oxo-1H-indol-5-yl)amino]-5-(trifluoroMe)-4-pyrimidinyl]amino]Me]-2-pyridinyl]-N-Me-methanesulfonamide 95%; N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]-2-pyridinyl]methanesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754356	.	.	.	.	507.5	C21H20F3N7O3S	138	856	2	35	3	12	7	"InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)"	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	MZDKLVOWGIOKTN-UHFFFAOYSA-N
DG64853	2-[4-isopropylphenyl]-4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]pyridine	11717091	GW682841X; CHEMBL206544; SCHEMBL412218; BDBM50184897; NSC756309; NSC-756309; NCGC00242036-01; J3.496.864K; AB01092207-01; 2-[4-isopropylphenyl]-4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]pyridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756309	.	.	.	.	340.4	C22H20N4	54.5	432	4.2	26	1	3	4	"InChI=1S/C22H20N4/c1-15(2)16-6-8-17(9-7-16)21-13-18(10-12-24-21)19-14-25-26-22(19)20-5-3-4-11-23-20/h3-15H,1-2H3,(H,25,26)"	CC(C)C1=CC=C(C=C1)C2=NC=CC(=C2)C3=C(NN=C3)C4=CC=CC=N4	VMRIQAPFNJVYQI-UHFFFAOYSA-N
DG64855	N-(2-aminophenyl)-4-(1-{[4-(2-methoxyphenyl)piperazin-1-yl]m ethyl}vinyl)benzamide	11719179	SCHEMBL4896610; NSC730004; NSC-730004; N-(2-aminophenyl)-4-(1-{[4-(2-methoxyphenyl)piperazin-1-yl]m ethyl}vinyl)benzamide; N-(2-aminophenyl)-4-{1-[4-(2-methoxy-phenyl)-piperazin-1-ylmethyl]vinyl}-benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730004	.	.	.	.	442.6	C27H30N4O2	70.8	640	4.5	33	2	5	7	"InChI=1S/C27H30N4O2/c1-20(19-30-15-17-31(18-16-30)25-9-5-6-10-26(25)33-2)21-11-13-22(14-12-21)27(32)29-24-8-4-3-7-23(24)28/h3-14H,1,15-19,28H2,2H3,(H,29,32)"	COC1=CC=CC=C1N2CCN(CC2)CC(=C)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N	AEBYMKMBNUABEF-UHFFFAOYSA-N
DG64856	N-(2-Amino-phenyl)-4-[1-(6-oxo-6H-phenanthridin-5-ylmethyl)-vinyl]-benzamide	11719256	SCHEMBL5161728; NSC735408; NSC-735408; N-(2-Amino-phenyl)-4-[1-(6-oxo-6H-phenanthridin-5-ylmethyl)-vinyl]-benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735408	.	.	.	.	445.5	C29H23N3O2	75.4	759	5.3	34	2	3	5	"InChI=1S/C29H23N3O2/c1-19(20-14-16-21(17-15-20)28(33)31-26-12-6-5-11-25(26)30)18-32-27-13-7-4-9-23(27)22-8-2-3-10-24(22)29(32)34/h2-17H,1,18,30H2,(H,31,33)"	C=C(CN1C2=CC=CC=C2C3=CC=CC=C3C1=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N	SNODZTYLEVBTTQ-UHFFFAOYSA-N
DG64857	1-[(2-Imidazoline-2-yloxy)amino]-3-methylcyclohexane-1-carbonitrile	11736196	"NSC730736; NSC-730736; 1-[(2-Imidazoline-2-yloxy)amino]-3-methylcyclohexane-1-carbonitrile; 1-[(4,5-Dihydro-1H-imidazol-2-yloxy)amino]-3-methylcyclohexa necarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730736	.	.	.	.	222.29	C11H18N4O	69.4	332	1.2	16	2	4	3	"InChI=1S/C11H18N4O/c1-9-3-2-4-11(7-9,8-12)15-16-10-13-5-6-14-10/h9,15H,2-7H2,1H3,(H,13,14)"	CC1CCCC(C1)(C#N)NOC2=NCCN2	WRTNENLRAPCLKW-UHFFFAOYSA-N
DG64858	"1,7,8-Tetramethoxy-11H-indeno[1,2-c]isoquinoline Hydrychloride"	11749136	"CHEMBL191148; NSC730926; NSC-730926; 1,7,8-Tetramethoxy-11H-indeno[1,2-c]isoquinoline Hydrychloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730926	.	.	.	.	373.8	C20H20ClNO4	49.8	461	.	26	1	5	4	"InChI=1S/C20H19NO4.ClH/c1-22-15-5-6-16(23-2)19-13-7-11-8-17(24-3)18(25-4)9-12(11)20(13)21-10-14(15)19;/h5-6,8-10H,7H2,1-4H3;1H"	COC1=C2C=NC3=C(C2=C(C=C1)OC)CC4=CC(=C(C=C43)OC)OC.Cl	TZEGISFYFXKRCN-UHFFFAOYSA-N
DG64859	"N-(7-chloro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide"	11751266	"GSK466317A; 864082-48-4; N-(7-chloro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide; CHEMBL427058; SCHEMBL3886838; BDBM14056; dihydropyridone indazole amide 16; HMS3303D04; HMS3305P17; NSC756175; NSC-756175; NCGC00241939-01; AB01092190-01; N-(7-Chloro-1H-indazol-5-yl)-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydro-3-pyridinecarboxamide; N-(7-chloro-1H-indazol-5-yl)-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756175	.	.	.	.	448.8	C21H16ClF3N4O2	86.9	751	3.5	31	3	6	3	"InChI=1S/C21H16ClF3N4O2/c1-10-18(20(31)28-14-6-12-9-26-29-19(12)16(22)7-14)15(8-17(30)27-10)11-2-4-13(5-3-11)21(23,24)25/h2-7,9,15H,8H2,1H3,(H,26,29)(H,27,30)(H,28,31)"	CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC4=C(C(=C3)Cl)NN=C4	OYNBTBJATZVIGH-UHFFFAOYSA-N
DG64860	N-[3-[[5-Bromo-4-[[2-(1H-imidazol-5-YL)ethyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide	11754511	"BX-912; 702674-56-4; BX912; N-[3-[[5-BROMO-4-[[2-(1H-IMIDAZOL-5-YL)ETHYL]AMINO]-2-PYRIMIDINYL]AMINO]PHENYL]-1-PYRROLIDINECARBOXAMIDE; BX 912; MFCD10565925; N-(3-((4-((2-(1H-imidazol-4-yl)ethyl)amino)-5-bromopyrimidin-2-yl)amino)phenyl)pyrrolidine-1-carboxamide; N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide; C20H23BrN8O; 1-Pyrrolidinecarboxamide, N-[3-[[5-bromo-4-[[2-(1H-imidazol-4-yl)ethyl]amino]-2-pyrimidinyl]amino]phenyl]-; Pyrrolidine-1-carboxylic acid (3-(5-bromo-4-[2-(1H-imidazol-4-yl)-ethylamino]-pyrimidin-2-ylamino)-phenyl)-amide; Pyrrolidine-1-carboxylic acid (3-{5-bromo-4-[2-(1H-imidazol-4-yl)-ethylamino]-pyrimidin-2-ylamino}-phenyl)-amide; CID 11754511; MLS006011015; GTPL8007; SCHEMBL3869633; CHEMBL3916849; SCHEMBL15825412; BDBM17052; CHEBI:91357; AOB2905; DTXSID30471901; EX-A945; SYN1027; BCPP000309; HMS3244G17; HMS3244G18; HMS3244H17; HMS3265I23; HMS3265I24; HMS3265J23; HMS3265J24; HMS3654D11; HMS3743G13; BCP01898; ZINC3820559; 2293AH; NSC758485; AKOS005266650; AKOS026750229; BX912; BX 912; BCP9000468; CCG-269454; CS-0079; NSC-758485; SB19281; NCGC00346687-01; AC-32073; AS-16197; HY-11005; N-(3-(4-(2-(1H-imidazol-4-yl)ethylamino)-5-bromopyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamide; N-[3-[[4-[[2-(4-Imidazolyl)ethyl]amino]-5-bromo-2-pyrimidinyl]amino]phenyl]pyrrolidine-1-carboxamide; SMR004702813; SY280412; FT-0700351; S1275; SW220162-1; 674P564; A866641; J-522977; BRD-K49669041-001-01-9; Q27075611; N-(3-((4-((2-(1H-imidazol-4-yl)ethyl)amino)-5-bromopyrimidin-2-yl)amino)phenyl)pyrrolidine-1-carboxamide;BX-912; N-[3-[[5-bromo-4-[2-(3H-imidazol-4-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide; N-{3-[(5-bromo-4-{[2-(1H-imidazol-4-yl)ethyl]amino}pyrimidin-2-yl)amino]phenyl}pyrrolidine-1-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758485	.	.	.	.	471.4	C20H23BrN8O	111	549	2.9	30	4	6	7	"InChI=1S/C20H23BrN8O/c21-17-12-24-19(28-18(17)23-7-6-16-11-22-13-25-16)26-14-4-3-5-15(10-14)27-20(30)29-8-1-2-9-29/h3-5,10-13H,1-2,6-9H2,(H,22,25)(H,27,30)(H2,23,24,26,28)"	C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br	DMMILYKXNCVKOJ-UHFFFAOYSA-N
DG64861	Cbz-leucinyl-leucinyl-norleucinal	11754711	Z-Leu-Leu-Nle-CHO; Z-Leu-Leu-Nle-aldehyde; SCHEMBL5065187; Cbz-leucinyl-leucinyl-norleucinal; MFCD02179375; NSC744338; ZINC15722248; NSC-744338; 407S837; N-carbobenzoxy-l-leucinyl -l-leucinyl-l-norleucinal	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744338	.	.	.	.	475.6	C26H41N3O5	114	632	4.9	34	3	5	16	"InChI=1S/C26H41N3O5/c1-6-7-13-21(16-30)27-24(31)22(14-18(2)3)28-25(32)23(15-19(4)5)29-26(33)34-17-20-11-9-8-10-12-20/h8-12,16,18-19,21-23H,6-7,13-15,17H2,1-5H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1"	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1	RNPDUXVFGTULLP-VABKMULXSA-N
DG64862	2-[Benzylthio-4-chloro-5-(4-chlorophenylcarbamoyl)benzenesul fonyl]-3-methylamino-1-(5-nitrothenylidene)guanidine	11763828	NSC728507; NSC-728507; 2-[Benzylthio-4-chloro-5-(4-chlorophenylcarbamoyl)benzenesul fonyl]-3-methylamino-1-(5-nitrothenylidene)guanidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728507	.	.	.	.	677.6	C27H22Cl2N6O5S3	220	1110	6.7	43	3	9	11	"InChI=1S/C27H22Cl2N6O5S3/c1-30-33-27(31-15-20-11-12-25(42-20)35(37)38)34-43(39,40)24-13-21(26(36)32-19-9-7-18(28)8-10-19)22(29)14-23(24)41-16-17-5-3-2-4-6-17/h2-15,30H,16H2,1H3,(H,32,36)(H,33,34)/b31-15+"	CNN/C(=N\\S(=O)(=O)C1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)Cl)Cl)SCC3=CC=CC=C3)/N=C/C4=CC=C(S4)[N+](=O)[O-]	ZHZSLUOGWFCHMQ-IBBHUPRXSA-N
DG64863	"6-(4-Methylphenyl)-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine"	11771442	"NSC730267; NSC-730267; 6-(4-Methylphenyl)-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730267	.	.	.	.	315.4	C20H17N3O	39.4	402	4.4	24	0	3	3	"InChI=1S/C20H17N3O/c1-14-3-5-15(6-4-14)18-13-23-12-11-21-20(23)19(22-18)16-7-9-17(24-2)10-8-16/h3-13H,1-2H3"	CC1=CC=C(C=C1)C2=CN3C=CN=C3C(=N2)C4=CC=C(C=C4)OC	IDDBUVVTZFNIJD-UHFFFAOYSA-N
DG64864	"6-(1,3-decadiyn-1-yl)-2(2H)-pyranone"	11775948	"NSC727040; NSC-727040; 6-(1,3-Decadiynyl)-2H-pyran-2-one; 6-(1,3-decadiyn-1-yl)-2(2H)-pyranone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727040	.	.	.	.	228.29	C15H16O2	26.3	454	4.5	17	0	2	6	"InChI=1S/C15H16O2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15(16)17-14/h10,12-13H,2-6H2,1H3"	CCCCCCC#CC#CC1=CC=CC(=O)O1	XNVYFLTWNDZFOA-UHFFFAOYSA-N
DG64865	"2-Carbamoylmethylthio-4-chloro-5-methyl-N-(5,2, 4-triazin-3-yl)benzene-sulfonamide"	11785806	"NSC728502; NSC-728502; 2-Carbamoylmethylthio-4-chloro-5-methyl-N-(5,2, 4-triazin-3-yl)benzene-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728502	.	.	.	.	526	C24H20ClN5O3S2	162	802	3.8	35	2	8	8	"InChI=1S/C24H20ClN5O3S2/c1-15-12-20(19(13-18(15)25)34-14-21(26)31)35(32,33)30-24-27-22(16-8-4-2-5-9-16)23(28-29-24)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H2,26,31)(H,27,29,30)"	CC1=CC(=C(C=C1Cl)SCC(=O)N)S(=O)(=O)NC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4	INWADYPHBQFPAY-UHFFFAOYSA-N
DG64866	Silvestrol	11787114	"silvestrol; (-)-silvestrol; 697235-38-4; CHEMBL555196; CHEBI:66484; methyl (1R,2R,3S,3aR,8bS)-6-[[(2S,3R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl]oxy]-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate; SCHEMBL732092; BDBM50335583; MFCD22417097; NSC783538; ZINC95099283; CS-0543; NSC-783538; NCGC00379005-02; HY-13251; Q27135085; methyl (1R,2R,3S,3aR,8bS)-6-({(2S,3R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl}oxy)-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-2-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783538	.	.	.	.	654.7	C34H38O13	172	1050	1.6	47	4	13	11	"InChI=1S/C34H38O13/c1-40-20-12-10-19(11-13-20)34-27(18-8-6-5-7-9-18)26(30(38)42-3)29(37)33(34,39)28-23(41-2)14-21(15-24(28)47-34)45-32-31(43-4)44-17-25(46-32)22(36)16-35/h5-15,22,25-27,29,31-32,35-37,39H,16-17H2,1-4H3/t22-,25-,26-,27-,29-,31-,32-,33+,34+/m1/s1"	CO[C@H]1[C@@H](O[C@H](CO1)[C@@H](CO)O)OC2=CC3=C(C(=C2)OC)[C@@]4([C@@H]([C@@H]([C@H]([C@@]4(O3)C5=CC=C(C=C5)OC)C6=CC=CC=C6)C(=O)OC)O)O	GVKXFVCXBFGBCD-QKDMMWSPSA-N
DG64867	Dmjpyxzdskfgeh-uhfffaoysa-	11790684	"DMJPYXZDSKFGEH-UHFFFAOYSA-; NSC727196; NSC-727196; 3-(4-methoxyphenyl)-6,1-c][1,2,4]oxad iazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727196	.	.	.	.	219.24	C11H13N3O2	46.1	287	0.7	16	1	3	2	"InChI=1S/C11H13N3O2/c1-15-9-4-2-8(3-5-9)10-14-7-6-12-11(14)13-16-10/h2-5,10H,6-7H2,1H3,(H,12,13)"	COC1=CC=C(C=C1)C2N3CCN=C3NO2	DMJPYXZDSKFGEH-UHFFFAOYSA-N
DG64868	(4-Methylbenzyl)triphenylphosphonium bromide	11797662	"(4-Methylbenzyl)triphenylphosphonium bromide; 2378-86-1; (4-methylphenyl)methyl-triphenylphosphanium;bromide; SCHEMBL2447513; CHEMBL2041841; DTXSID80946578; NSC77141; MFCD00031580; NSC-77141; AKOS001032175; MCULE-7267295247; BC002245; 4-methylbenzyl triphenylphosphonium bromide; DB-046248; CS-0357267; FT-0605020; (4-methylphenyl)methyl-triphenylphosphanium,bromide; (P-METHYLBENZYL)-TRIPHENYLPHOSPHOMIUMBROMIDE; A816906; [(4-Methylphenyl)methyl](triphenyl)phosphanium bromide; 1H-Imidazole, 2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-; PHOSPHONIUM, [(4-METHYLPHENYL)METHYL]TRIPHENYL-, BROMIDE (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	77141	.	.	.	.	447.3	C26H24BrP	0	372	.	28	0	1	5	"InChI=1S/C26H24P.BrH/c1-22-17-19-23(20-18-22)21-27(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1"	CC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]	CEEKCHGNKYVTTM-UHFFFAOYSA-M
DG64869	"11H-Indeno[1,2,3-dimethoxy-8,9-(methylenedioxy)-6-propyl-, chloride"	11811448	"CHEMBL84365; NSC701812; NSC-701812; 11H-Indeno[1,2,3-dimethoxy-8,9-(methylenedioxy)-6-propyl-, chloride; 12H-[1,6]indeno[1,2-c]isoquinolinium,2,3-dimethoxy-6-propyl-, chloride; 2,9-(methylenedioxy)-6-(1-propyl)-11H-indeno[1,2-c]isoquinolinium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701812	.	.	.	.	399.9	C22H22ClNO4	40.8	530	.	28	0	5	4	"InChI=1S/C22H22NO4.ClH/c1-4-5-23-11-14-8-18(24-2)19(25-3)9-15(14)17-6-13-7-20-21(27-12-26-20)10-16(13)22(17)23;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1"	CCC[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C3)OCO5)OC)OC.[Cl-]	IVCYJZKACORNAK-UHFFFAOYSA-M
DG64870	"6-[4-[(2R,3R)-3-(Hydroxymethyl)oxiranyl]-1,3-butadiynyl]-2H-pyran-2-one"	11816756	"NSC730868; NSC-730868; (+)-(2R,3-diyn yl}-2H-pyran-2-one; 6-[4-[(2R,3R)-3-(Hydroxymethyl)oxiranyl]-1,3-butadiynyl]-2H-pyran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730868	.	.	.	.	216.19	C12H8O4	59.1	500	0.4	16	1	4	3	"InChI=1S/C12H8O4/c13-8-11-10(16-11)6-2-1-4-9-5-3-7-12(14)15-9/h3,5,7,10-11,13H,8H2/t10-,11-/m1/s1"	C1=CC(=O)OC(=C1)C#CC#C[C@@H]2[C@H](O2)CO	MQOZGGCYMXWCPG-GHMZBOCLSA-N
DG64871	"1H-Indole-3-methanol, 1-[(4-chlorophenyl)methyl]-"	11821732	"NSC-741909; 92407-91-5; [1-[(4-chlorophenyl)methyl]indol-3-yl]methanol; 1H-Indole-3-methanol, 1-[(4-chlorophenyl)methyl]-; CHEMBL1775136; SCHEMBL16027030; DTXSID70473823; ZINC8701628; NSC741909; AKOS015152610"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741909	.	.	.	.	271.74	C16H14ClNO	25.2	291	3.3	19	1	1	3	"InChI=1S/C16H14ClNO/c17-14-7-5-12(6-8-14)9-18-10-13(11-19)15-3-1-2-4-16(15)18/h1-8,10,19H,9,11H2"	C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)CO	WOUBLGRNDINCJL-UHFFFAOYSA-N
DG64872	CID 11832956	11832956	Artenimol; 81496-81-3; 71939-50-9; CHEMBL470034; SCHEMBL12171172; NP266; Pharmakon1600-01504143; NSC758682; NSC-758682; BRD-A82452087-001-01-5	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758682	.	.	.	.	284.35	C15H24O5	57.2	415	2.5	20	1	5	0	"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12 ,13-,14+,15-/m1/s1"	C[C@@H]1CC[C@H]2[C@H](C(O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)O)C	BJDCWCLMFKKGEE-SUZORCHOSA-N
DG64873	6-Chloro-4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]chromen-2-one	11837127	GNF-Pf-2217; CHEMBL579300; MMV665786; Oprea1_352986; ZINC5773326; BDBM50518923; NSC766689; NSC-766689	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766689	.	.	.	.	396.9	C23H25ClN2O2	41.6	553	5.1	28	1	4	6	"InChI=1S/C23H25ClN2O2/c24-18-8-9-22-20(15-18)21(16-23(27)28-22)25-19-10-13-26(14-11-19)12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-9,15-16,19,25H,4,7,10-14H2"	C1CN(CCC1NC2=CC(=O)OC3=C2C=C(C=C3)Cl)CCCC4=CC=CC=C4	DBVHRKVRLJTZND-UHFFFAOYSA-N
DG64874	"3-(3,4-Dimethoxyphenyl)-1-[4-(methylsulfanyl)phenyl]-2-propen-1-one"	11842505	"AR-685/43306239; NSC733153; ZINC17197925; AKOS008685436; NSC-733153; 3-(3,4-dimethoxyphenyl)-1-[4-(methylsulfanyl)phenyl]-2-propen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733153	.	.	.	.	314.4	C18H18O3S	60.8	375	4.1	22	0	4	6	"InChI=1S/C18H18O3S/c1-20-17-11-5-13(12-18(17)21-2)4-10-16(19)14-6-8-15(22-3)9-7-14/h4-12H,1-3H3/b10-4+"	COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)SC)OC	AREMRVYTBWASKC-ONNFQVAWSA-N
DG64875	3-(2-Chlorophenyl)-1-[4-(methylsulfanyl)phenyl]-2-propen-1-one	11842511	AR-685/43306289; NSC733145; ZINC17197949; NSC-733145; 3-(2-chlorophenyl)-1-[4-(methylsulfanyl)phenyl]-2-propen-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733145	.	.	.	.	288.8	C16H13ClOS	42.4	321	4.8	19	0	2	4	"InChI=1S/C16H13ClOS/c1-19-14-9-6-13(7-10-14)16(18)11-8-12-4-2-3-5-15(12)17/h2-11H,1H3/b11-8+"	CSC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2Cl	CWZSALSXZKSLRA-DHZHZOJOSA-N
DG64876	"3-(2,5-Dimethoxyphenyl)-1-[4-(methylsulfanyl)phenyl]-2-propen-1-one"	11842566	"AR-685/43362993; CHEMBL2030208; NSC733154; ZINC17198365; NSC-733154; 3-(2,5-dimethoxyphenyl)-1-[4-(methylsulfanyl)phenyl]-2-propen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733154	.	.	.	.	314.4	C18H18O3S	60.8	375	4.1	22	0	4	6	"InChI=1S/C18H18O3S/c1-20-15-7-11-18(21-2)14(12-15)6-10-17(19)13-4-8-16(22-3)9-5-13/h4-12H,1-3H3/b10-6+"	COC1=CC(=C(C=C1)OC)/C=C/C(=O)C2=CC=C(C=C2)SC	IWLVKWLYIZMCMA-UXBLZVDNSA-N
DG64877	"Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline)-6-ethyl}amine"	11849558	"CHEMBL213020; NSC726241; NSC-726241; Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline) -6-ethyl}amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726241	.	.	.	.	563.6	C36H25N3O4	86.8	1190	4.1	43	1	5	6	"InChI=1S/C36H25N3O4/c40-33-25-13-5-3-11-23(25)31-29(33)21-9-1-7-15-27(21)35(42)38(31)19-17-37-18-20-39-32-24-12-4-6-14-26(24)34(41)30(32)22-10-2-8-16-28(22)36(39)43/h1-16,37H,17-20H2"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86	HYDKSXWAAFBPJF-UHFFFAOYSA-N
DG64878	"Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline)-6-propyl}methylamine"	11849561	"CHEMBL378233; NSC728320; NSC-728320; Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline) -6-propyl}methylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728320	.	.	.	.	605.7	C39H31N3O4	78	1250	5.3	46	0	5	8	"InChI=1S/C39H31N3O4/c1-40(20-10-22-41-34-26-14-4-6-16-28(26)36(43)32(34)24-12-2-8-18-30(24)38(41)45)21-11-23-42-35-27-15-5-7-17-29(27)37(44)33(35)25-13-3-9-19-31(25)39(42)46/h2-9,12-19H,10-11,20-23H2,1H3"	CN(CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42)CCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86	MOVWBVLCQRSBCB-UHFFFAOYSA-N
DG64879	"Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline)-6-ethyl-tert-BOCamino}propane"	11849594	"CHEMBL378884; NSC728321; NSC-728321; Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline)-6-ethyl-tert-BOCamino}propane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728321	.	.	.	.	820.9	C49H48N4O8	134	1710	6.7	61	0	8	14	"InChI=1S/C49H48N4O8/c1-48(2,3)60-46(58)50(26-28-52-40-32-18-9-11-20-34(32)42(54)38(40)30-16-7-13-22-36(30)44(52)56)24-15-25-51(47(59)61-49(4,5)6)27-29-53-41-33-19-10-12-21-35(33)43(55)39(41)31-17-8-14-23-37(31)45(53)57/h7-14,16-23H,15,24-29H2,1-6H3"	CC(C)(C)OC(=O)N(CCCN(CCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42)C(=O)OC(C)(C)C)CCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86	CBGYYNGEVSSMKV-UHFFFAOYSA-N
DG64880	"Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline)-(6-propyl-tertBOCamino)}ethane"	11849595	"CHEMBL377732; NSC728088; NSC-728088; Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline) -(6-propyl-tertBOCamino)}ethane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728088	.	.	.	.	835	C50H50N4O8	134	1720	7	62	0	8	15	"InChI=1S/C50H50N4O8/c1-49(2,3)61-47(59)51(25-15-27-53-41-33-19-9-11-21-35(33)43(55)39(41)31-17-7-13-23-37(31)45(53)57)29-30-52(48(60)62-50(4,5)6)26-16-28-54-42-34-20-10-12-22-36(34)44(56)40(42)32-18-8-14-24-38(32)46(54)58/h7-14,17-24H,15-16,25-30H2,1-6H3"	CC(C)(C)OC(=O)N(CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42)CCN(CCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86)C(=O)OC(C)(C)C	JDGDNRKZDISVHG-UHFFFAOYSA-N
DG64881	"Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline)-(6-propyl-tert-BOCamino)}butane"	11849640	"CHEMBL443070; NSC729358; NSC-729358; Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline) -(6-propyl-tert-BOCamino)}butane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729358	.	.	.	.	863	C52H54N4O8	134	1760	7.7	64	0	8	17	"InChI=1S/C52H54N4O8/c1-51(2,3)63-49(61)53(29-17-31-55-43-35-21-9-11-23-37(35)45(57)41(43)33-19-7-13-25-39(33)47(55)59)27-15-16-28-54(50(62)64-52(4,5)6)30-18-32-56-44-36-22-10-12-24-38(36)46(58)42(44)34-20-8-14-26-40(34)48(56)60/h7-14,19-26H,15-18,27-32H2,1-6H3"	CC(C)(C)OC(=O)N(CCCCN(CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42)C(=O)OC(C)(C)C)CCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86	XPLNCSQFUSGJPJ-UHFFFAOYSA-N
DG64882	"Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline)]-(6-ethyl,6'-propyl)ammonium Trifluoroacetate"	11849641	"NSC726766; NSC-726766; Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline) ]-(6-ethyl,6'-propyl)ammonium Trifluoroacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726766	.	.	.	.	691.6	C39H28F3N3O6	124	1380	.	51	2	10	7	"InChI=1S/C37H27N3O4.C2HF3O2/c41-34-26-14-5-3-12-24(26)32-30(34)22-10-1-7-16-28(22)36(43)39(32)20-9-18-38-19-21-40-33-25-13-4-6-15-27(25)35(42)31(33)23-11-2-8-17-29(23)37(40)44;3-2(4,5)1(6)7/h1-8,10-17,38H,9,18-21H2;(H,6,7)"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O	XBECTQFCAPXDFU-UHFFFAOYSA-N
DG64883	"Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline)}-(6-propyl,6'-butyl)amine Hydrochloride"	11849642	"NSC726771; NSC-726771; Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline) }-(6-propyl,6'-butyl)amine Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726771	.	.	.	.	642.1	C39H32ClN3O4	86.8	1330	.	47	2	5	9	"InChI=1S/C39H31N3O4.ClH/c43-36-28-16-5-3-14-26(28)34-32(36)24-12-1-7-18-30(24)38(45)41(34)22-10-9-20-40-21-11-23-42-35-27-15-4-6-17-29(27)37(44)33(35)25-13-2-8-19-31(25)39(42)46;/h1-8,12-19,40H,9-11,20-23H2;1H"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCNCCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.Cl	ZHAFWTGLWCXJCM-UHFFFAOYSA-N
DG64884	NSC730629	11849828	"{6-(3-tert-Butyloxycarbonylamino-1-propyl)-5,3-d imethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoq uinoline}-{5',6'-Dihydro-6'-(3'-tert-butyloxycarbonylamino-1'-propyl)-5',11'-dioxo-11'H-indeno[1,2-c]isoquinoline}propan e; NSC730629; NSC-730629; {6-(3-tert-Butyloxycarbonylamino-1-propyl)-5,3-d imethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoq uinoline}-{5',6'-Dihydro-6'-(3'-tert-butyloxycarbonylamino-1 '-propyl)-5',11'-dioxo-11'H-indeno[1,2-c]isoquinoline}propan e"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730629	.	.	.	.	953	C54H56N4O12	171	2110	7.1	70	0	12	18	"InChI=1S/C54H56N4O12/c1-53(2,3)69-51(63)55(22-14-24-57-45-32-17-10-11-18-33(32)47(59)43(45)31-16-9-12-19-34(31)49(57)61)20-13-21-56(52(64)70-54(4,5)6)23-15-25-58-46-36-27-41-42(68-30-67-41)28-37(36)48(60)44(46)35-26-39(65-7)40(66-8)29-38(35)50(58)62/h9-12,16-19,26-29H,13-15,20-25,30H2,1-8H3"	CC(C)(C)OC(=O)N(CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42)CCCN(CCCN5C6=C(C7=CC(=C(C=C7C5=O)OC)OC)C(=O)C8=CC9=C(C=C86)OCO9)C(=O)OC(C)(C)C	KTPJGZZJWIFJCZ-UHFFFAOYSA-N
DG64885	5-[3-Fluoro-4-[[6-methoxy-7-(3-morpholinopropoxy)quinolin-4-yl]oxy]phenyl]-2-(4-fluorophenylamino)-3-methylpyrimidin-4(3H)-one	11858109	"AMG-51; 890019-63-3; 5-[3-Fluoro-4-[[6-methoxy-7-(3-morpholinopropoxy)quinolin-4-yl]oxy]phenyl]-2-(4-fluorophenylamino)-3-methylpyrimidin-4(3H)-one; AMG51; 2-(4-fluoroanilino)-5-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-methylpyrimidin-4-one; pyrimidone, 51; CHEMBL453737; SCHEMBL2868963; AMG-51;AMG 51; BDBM24769; SYN1111; C34H33F2N5O5; BCP21618; NSC794646; ZINC43178754; AKOS037643398; NSC-794646; NCGC00263201-01; NCGC00263201-02; AS-16255; A900065; 5-[3-fluoro-4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinolin-4-yl}oxy)phenyl]-2-[(4-fluorophenyl)amino]-3-methyl-3,4-dihydropyrimidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794646	.	.	.	.	629.7	C34H33F2N5O5	97.8	1070	4.4	46	1	10	11	"InChI=1S/C34H33F2N5O5/c1-40-33(42)26(21-38-34(40)39-24-7-5-23(35)6-8-24)22-4-9-30(27(36)18-22)46-29-10-11-37-28-20-32(31(43-2)19-25(28)29)45-15-3-12-41-13-16-44-17-14-41/h4-11,18-21H,3,12-17H2,1-2H3,(H,38,39)"	CN1C(=O)C(=CN=C1NC2=CC=C(C=C2)F)C3=CC(=C(C=C3)OC4=C5C=C(C(=CC5=NC=C4)OCCCN6CCOCC6)OC)F	ONSZEUCTVQJHOZ-UHFFFAOYSA-N
DG64886	Unii-16720ver1H	11952856	"JNJ-26483327; BGB-102; 807640-87-5; UNII-16720VER1H; CHEMBL3109738; 16720VER1H; 4,6-Ethenopyrimido(4,5-b)(6,1,12)benzoxadiazacyclopentadecine, 17-bromo-1,8,9,10,11,12,13,14-octahydro-20-methoxy-13-methyl-; 4,6-Ethenopyrimido[4,5-b][6,1,12]benzoxadiazacyclopentadecine, 17-bromo-1,8,9,10,11,12,13,14-octahydro-20-methoxy-13-methyl-; SCHEMBL1901609; jnj26483327; BCP28258; 807640-87-5 (free base); BDBM50510885; NSC783249; NSC800775; ZINC43151225; CS-6817; NSC-783249; NSC-800775; JNJ 26483327 [WHO-DD]; HY-15732; JNJ26483327; JNJ 26483327;  BGB102; BGB-102; BGB 102; 17-Bromo-1,8,9,10,11,12,13,14-octahydro-20-methoxy-13-methyl-4,6-ethenopyrimido(4,5-b)(6,1,12)benzoxadiazacyclopentadecine; 35-bromo-17-methoxy-5-methyl-11-oxa-2,5-diaza-1(4,6)-quinazolina-3(1,2)-benzenacycloundecaphane; 5-Bromo-18-methoxy-10-methyl-16-oxa-2,10,21,23-tetrazatetracyclo[15.6.2.03,8.020,24]pentacosa-1(23),3(8),4,6,17,19,21,24-octaene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783249	.	.	.	.	457.4	C22H25BrN4O2	59.5	513	4.7	29	1	6	1	"InChI=1S/C22H25BrN4O2/c1-27-8-4-3-5-9-29-21-11-17-19(12-20(21)28-2)24-14-25-22(17)26-18-10-16(23)7-6-15(18)13-27/h6-7,10-12,14H,3-5,8-9,13H2,1-2H3,(H,24,25,26)"	CN1CCCCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C1)C=CC(=C4)Br)OC	JXDYOSVKVSQGJM-UHFFFAOYSA-N
DG64887	Onalespib	11955716	"Onalespib; 912999-49-6; AT13387; AT-13387; Onalespib (AT13387); (2,4-Dihydroxy-5-isopropylphenyl)(5-((4-methylpiperazin-1-yl)methyl)isoindolin-2-yl)methanone; AT 13387; UNII-Q7Y33N57ZZ; Q7Y33N57ZZ; ATI-13387X; 912999-49-6 (free base); (2,4-Dihydroxy-5-isopropylphenyl)-(5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl)methanone; C24H31N3O3; (2,4-Dihydroxy-5-propan-2-ylphenyl)-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone;(2,4-Dihydroxy-5-propan-2-ylphenyl)-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone; Onalespib [USAN:INN]; onalespibum; OnalespibAT-13387; Onalespib (USAN/INN); MLS006011085; SCHEMBL382780; CHEMBL1214827; ATI13387X; DTXSID80238485; CHEBI:140592; HMS3654O12; BCP03601; EX-A1798; OnalespibAT13387,ATI13387X; 2232AH; BDBM50005782; NSC749712; NSC763579; s1163; ZINC43208226; AKOS027338622; BCP9000333; CCG-264682; CS-0969; DB06306; NSC-749712; NSC-763579; SB16645; NCGC00346674-01; NCGC00346674-03; NCGC00346674-05; AC-33014; AS-74503; HY-14463; Methanone, (1,3-dihydro-5-((4-methyl-1-piperazinyl)methyl)-2H-isoindol-2-yl)(2,4-dihydroxy-5-(1-methylethyl)phenyl)-; SMR004702873; BCP0726000186; SW218138-2; D10719; A857901; Q27287092; (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(4-methyl-piperazin-1-ylmethyl)-1,3-dihydro-isoindol-2-yl]-methanone; (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(4-methyl-piperazin-1-ylmethyl)-1,3-dihydro-isoindol-2-yl]methanone; (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone, L-lactic acid salt; (2,4-dihydroxy-5-isopropylphenyl){5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydro-2H-isoindol-2-yl}methanone; (2,4-dihydroxy-5-propan-2-ylphenyl)-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone; [2,4-dihydroxy-5-(propan-2-yl)phenyl]{5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydro-2H-isoindol-2-yl}methanone; 4-{5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole-2-carbonyl}-6-(propan-2-yl)benzene-1,3-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749712	.	.	.	.	409.5	C24H31N3O3	67.2	592	3.1	30	2	5	4	"InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3"	CC(C)C1=CC(=C(C=C1O)O)C(=O)N2CC3=C(C2)C=C(C=C3)CN4CCN(CC4)C	IFRGXKKQHBVPCQ-UHFFFAOYSA-N
DG64888	Rabusertib	11955855	"LY2603618; Rabusertib; 911222-45-2; LY 2603618; LY-2603618; Rabusertib (LY2603618); IC-83; UNII-3S9L1NU6U7; ly2603618  IC-83; 3S9L1NU6U7; (S)-1-(5-bromo-4-methyl-2-(morpholin-2-ylmethoxy)phenyl)-3-(5-methylpyrazin-2-yl)urea; (S)-1-(5-bromo-4-methyl-2-(morpholin-2-ylmethoxy)phenyl)-3-(5-methylpyrazin-2-yl)urea.; n-(5-bromo-4-methyl-2-((2s)-2-morpholinylmethoxy)phenyl)-n'-(5-methyl-2-pyrazinyl)urea; Rabusertib [USAN:INN]; N-[5-Bromo-4-methyl-2-[(2S)-2-morpholinylmethoxy)phenyl]-N'-(5-methyl-2-pyrazinyl)urea; 1-[5-bromo-4-methyl-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea; LY2603618(IC-83); LY2603618 (IC-83); Rabusertib (USAN/INN); MLS006011026; SCHEMBL304747; GTPL7960; CHEMBL3039517; DTXSID50238417; EX-A426; CHEBI:124917; BCPP000178; BDBM50524309; NSC761188; NSC800860; s2626; ZINC70466463; AKOS027422721; BCP9000873; CCG-264970; CS-0472; DB11662; NSC-761188; NSC-800860; Urea, N-(5-bromo-4-methyl-2-((2S)-2-morpholinylmethoxy)phenyl)-N'-(5-methyl-2- pyrazinyl)-; NCGC00343768-01; AC-32839; AS-56111; BL166662; HY-14720; SMR004702821; LY2603618 - IC-83; SW219621-1; C77108; D10397; J-523102; Q27088510; IC-83;LY 2603618;LY-2603618; LY-2603618; ; ; 1-[5-Bromo-4-methyl-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea; N-(5-bromo-4-methyl-2-{[(2S)-morpholin-2-yl]methoxy}phenyl)-N'-(5-methylpyrazin-2-yl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761188	.	.	.	.	436.3	C18H22BrN5O3	97.4	486	1.4	27	3	6	5	"InChI=1S/C18H22BrN5O3/c1-11-5-16(27-10-13-8-20-3-4-26-13)15(6-14(11)19)23-18(25)24-17-9-21-12(2)7-22-17/h5-7,9,13,20H,3-4,8,10H2,1-2H3,(H2,22,23,24,25)/t13-/m0/s1"	CC1=CC(=C(C=C1Br)NC(=O)NC2=NC=C(N=C2)C)OC[C@@H]3CNCCO3	SYYBDNPGDKKJDU-ZDUSSCGKSA-N
DG64889	"5-[5,6-Bis(Methyloxy)-1h-Benzimidazol-1-Yl]-3-{[1-(2-Chlorophenyl)ethyl]oxy}-2-Thiophenecarboxamide"	11957417	"GSK237701A; 5-[5,6-Bis(Methyloxy)-1h-Benzimidazol-1-Yl]-3-{[1-(2-Chlorophenyl)ethyl]oxy}-2-Thiophenecarboxamide; CHEMBL222419; SCHEMBL4034890; BDBM28206; 2i40; HMS3303P11; HMS3305O01; NSC756167; benzimidazole thiophene carboxamide, 3; DB07471; NSC-756167; BLZ; AB01092177-01; Q27096692; 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide; 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(5,6-dimethoxy-1H-benzimidazol-1-yl)thiophene-2-carboxamide; 5-[5,6-bis(methyloxy)-1H-benzimidazol-1-yl]-3-{[(1R)-1-(2-chlorophenyl)ethyl]oxy}-2-thiophenecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756167	.	.	.	.	457.9	C22H20ClN3O4S	117	632	4.8	31	1	6	7	"InChI=1S/C22H20ClN3O4S/c1-12(13-6-4-5-7-14(13)23)30-19-10-20(31-21(19)22(24)27)26-11-25-15-8-17(28-2)18(29-3)9-16(15)26/h4-12H,1-3H3,(H2,24,27)/t12-/m1/s1"	C[C@H](C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=CC(=C(C=C43)OC)OC)C(=O)N	UHCHLTQBLNUYRT-GFCCVEGCSA-N
DG64890	"4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino-1-phenylethoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol"	11959314	"CHEMBL1099276; GSK1007102B; SCHEMBL4596179; BDBM50316192; NSC756133; NSC-756133; J3.496.856J; AB01092144-01; 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino-1-phenylethoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756133	.	.	.	.	447.5	C23H25N7O3	151	719	0.9	33	3	9	8	"InChI=1S/C23H25N7O3/c1-4-30-16-12-18(32-17(13-24)14-8-6-5-7-9-14)26-15(10-11-23(2,3)31)19(16)27-22(30)20-21(25)29-33-28-20/h5-9,12,17,31H,4,13,24H2,1-3H3,(H2,25,29)/t17-/m0/s1"	CCN1C2=CC(=NC(=C2N=C1C3=NON=C3N)C#CC(C)(C)O)O[C@@H](CN)C4=CC=CC=C4	VLGIYSJSJHPDHN-KRWDZBQOSA-N
DG64891	"4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-(pyrrolidin-1-ylmethyl)-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol"	11959377	"CHEMBL1096290; GSK1000163A; SCHEMBL4595315; HMS3303P13; HMS3305L19; BDBM50316188; NSC756132; NSC-756132; NCGC00242076-01; AB01092143-01; 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-(pyrrolidin-1-ylmethyl)-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756132	.	.	.	.	395.5	C20H25N7O2	119	641	0.3	29	2	8	6	"InChI=1S/C20H25N7O2/c1-4-27-15-11-13(12-26-9-5-6-10-26)22-14(7-8-20(2,3)28)16(15)23-19(27)17-18(21)25-29-24-17/h11,28H,4-6,9-10,12H2,1-3H3,(H2,21,25)"	CCN1C2=C(C(=NC(=C2)CN3CCCC3)C#CC(C)(C)O)N=C1C4=NON=C4N	JHBURLBWOXZZGX-UHFFFAOYSA-N
DG64892	"4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-(2-(methylamino)ethoxy)-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol"	11959600	"CHEMBL1098943; SCHEMBL5067900; BDBM50316198; NSC756190; NSC-756190; NCGC00242075-01; AB01092147-01; 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-(2-(methylamino)ethoxy)-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756190	.	.	.	.	385.4	C18H23N7O3	137	592	-0.1	28	3	9	8	"InChI=1S/C18H23N7O3/c1-5-25-12-10-13(27-9-8-20-4)21-11(6-7-18(2,3)26)14(12)22-17(25)15-16(19)24-28-23-15/h10,20,26H,5,8-9H2,1-4H3,(H2,19,24)"	CCN1C2=CC(=NC(=C2N=C1C3=NON=C3N)C#CC(C)(C)O)OCCNC	RYFDZZFKNCPTJF-UHFFFAOYSA-N
DG64893	"(S)-4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(2-amino-2-phenylethoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol"	11959682	"GSK938890A; CHEMBL1096626; 913640-57-0; (S)-4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(2-amino-2-phenylethoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol; SCHEMBL4595767; HMS3303M13; HMS3305B03; BDBM50316191; NSC756189; NSC-756189; AB01092145-01; 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((S)-2-amino-2-phenylethoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol; 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-[(2S)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756189	.	.	.	.	447.5	C23H25N7O3	151	719	0.9	33	3	9	8	"InChI=1S/C23H25N7O3/c1-4-30-17-12-18(32-13-15(24)14-8-6-5-7-9-14)26-16(10-11-23(2,3)31)19(17)27-22(30)20-21(25)29-33-28-20/h5-9,12,15,31H,4,13,24H2,1-3H3,(H2,25,29)/t15-/m1/s1"	CCN1C2=CC(=NC(=C2N=C1C3=NON=C3N)C#CC(C)(C)O)OC[C@H](C4=CC=CC=C4)N	NPRGDRYIMFLLIG-OAHLLOKOSA-N
DG64894	"4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino-2-phenylethoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol"	11959683	"CHEMBL1096634; GSK943949A; SCHEMBL4595763; HMS3303N13; HMS3305H11; BDBM50316190; NSC756208; NSC-756208; AB01092146-01; 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino-2-phenylethoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756208	.	.	.	.	447.5	C23H25N7O3	151	719	0.9	33	3	9	8	"InChI=1S/C23H25N7O3/c1-4-30-17-12-18(32-13-15(24)14-8-6-5-7-9-14)26-16(10-11-23(2,3)31)19(17)27-22(30)20-21(25)29-33-28-20/h5-9,12,15,31H,4,13,24H2,1-3H3,(H2,25,29)/t15-/m0/s1"	CCN1C2=CC(=NC(=C2N=C1C3=NON=C3N)C#CC(C)(C)O)OC[C@@H](C4=CC=CC=C4)N	NPRGDRYIMFLLIG-HNNXBMFYSA-N
DG64895	"2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline"	11960271	"APTO-253; 916151-99-0; LOR-253; LT-253; APTO253 free base; Lt-253(former code); Lor-253(former code); UNII-WB59MRW00U; WB59MRW00U; 2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline; 916151-99-0 (Free base); APTO253; APTO 253; LOR253; 2-(5-Fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo(4,5-F)(1,10)phenanthroline; CHEMBL4297261; SCHEMBL10067266; LT-253LOR-253; EX-A3460; NSC789042; s6963; ZINC137222115; CS-5226; NSC-789042; NCGC00484061-01; BA166663; HY-16291; A13838; E76865; A915416; 1H-Imidazo(4,5-F)(1,10)phenanthroline, 2-(5-fluoro-2-methyl-1H-indol-3-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789042	.	.	.	.	367.4	C22H14FN5	70.2	589	4.3	28	2	4	1	"InChI=1S/C22H14FN5/c1-11-17(15-10-12(23)6-7-16(15)26-11)22-27-20-13-4-2-8-24-18(13)19-14(21(20)28-22)5-3-9-25-19/h2-10,26H,1H3,(H,27,28)"	CC1=C(C2=C(N1)C=CC(=C2)F)C3=NC4=C5C=CC=NC5=C6C(=C4N3)C=CC=N6	NIRXBXIPHUTNNI-UHFFFAOYSA-N
DG64896	Veliparib	11960529	"Veliparib; 912444-00-9; ABT-888; ABT 888; ABT-888 (Veliparib); Veliparib free base; ABT888; (R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo[d]imidazole-4-carboxamide; UNII-01O4K0631N; 2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide; CHEBI:62880; 2-[(2R)-2-methyl-2-pyrrolidinyl]-1H-benzimidazole-7-carboxamide; 2-[(R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide; 912444-00-9 (free base); 01O4K0631N; 2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benimidazole-4-; (2r)-2-(7-Carbamoyl-1h-Benzimidazol-2-Yl)-2-Methylpyrrolidinium; 2-((r)-2-methylpyrrolidin-2-yl)-1h-benzimidazole-4-carboxamide; Veliparib (ABT-888); (R)-2-(2-Methylpyrrolidin-2-yl)-1H-benimidazole-4-carboxamide (VELIPARIB); 2-((2r)-2-methyl-2-pyrrolidinyl)-1h-benzimidazole-7-carboxamide; ABT-888(Veliparib); NSC-737664; Veliparib [USAN:INN]; 2-((2R)-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide; MFCD16661059; 78P; ABT888 (free base); (R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo[d]imidazole-7-carboxamide; benzimidazole carboxamide, 3a; MLS006010184; Veliparib (JAN/USAN/INN); SCHEMBL422318; CHEMBL506871; GTPL7417; QCR-33; BDBM27135; ABT-695; DTXSID90238456; EX-A001; BDBM209932; AOB87114; PARP-1 INHIBITOR ABT-888; Veliparib (ABT-888 hydrochloride); 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide; NSC737664; NSC752840; s1004; ZINC84610155; AKOS015951440; AKOS017343746; CCG-264771; CS-0076; DB07232; EX-7209; NSC 737664; NSC-752840; SB16480; NCGC00250404-01; NCGC00250404-15; AC-23330; AS-19397; HY-10129; SMR004701290; ABT-888 (Veliparib, NSC 737664); X7540; A24888; D09692; A 861695; A-861695; J-505211; Q7919041; BRD-K87142802-001-02-7; 1H-Benzimidazole-4-carboxamide, 2-((2R)-2-methyl-2-pyrrolidinyl)-; 2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benimidazole-4-carboxamide; 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide; 2-[(R)-2-Methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide;"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752840	.	.	.	.	244.29	C13H16N4O	83.8	348	0.5	18	3	3	2	"InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1"	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N	JNAHVYVRKWKWKQ-CYBMUJFWSA-N
DG64897	Camptothecin propylglycinate ester hydrochloride	11969638	"NSC606498; Camptothecin propylglycinate ester hydrochloride; CHEMBL2005017; NSC-606498; Glycine, 4-ethyl-3,4,12,14-tetrahydro-3,14- dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin- 4-yl ester, monohydrochloride, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606498	.	.	.	.	483.9	C25H26ClN3O5	97.8	912	.	34	2	7	7	"InChI=1S/C25H25N3O5.ClH/c1-3-9-26-12-21(29)33-25(4-2)18-11-20-22-16(10-15-7-5-6-8-19(15)27-22)13-28(20)23(30)17(18)14-32-24(25)31;/h5-8,10-11,26H,3-4,9,12-14H2,1-2H3;1H/t25-;/m0./s1"	CCCNCC(=O)O[C@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)CC.Cl	VYUPLCFEEDAYEN-UQIIZPHYSA-N
DG64898	Camptothecin butylglycinate ester hydrochloride	11969639	"NSC606499; Camptothecin butylglycinate ester hydrochloride; CHEMBL1979916; NSC-606499; Glycine, 4-ethyl-3,4,12,14-tetrahydro-3,14-dioxo- 1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl ester, monohydrochloride, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606499	.	.	.	.	498	C26H28ClN3O5	97.8	927	.	35	2	7	8	"InChI=1S/C26H27N3O5.ClH/c1-3-5-10-27-13-22(30)34-26(4-2)19-12-21-23-17(11-16-8-6-7-9-20(16)28-23)14-29(21)24(31)18(19)15-33-25(26)32;/h6-9,11-12,27H,3-5,10,13-15H2,1-2H3;1H/t26-;/m0./s1"	CCCCNCC(=O)O[C@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)CC.Cl	POYSNWNGOJKQBS-SNYZSRNZSA-N
DG64899	Camptothecin lysinate HCl	11969671	"Camptothecin lysinate HCl; NSC610457; CHEMBL1983906; NSC-610457; CAMPTOTHECIN LYSINATE HYDROCHLORIDE; L-Lysine,4,12,14-tetrahydro-3,14-dioxo-1H- pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl ester, dihydrochloride, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	610457	.	.	.	.	513	C26H29ClN4O5	138	961	.	36	3	8	8	"InChI=1S/C26H28N4O5.ClH/c1-2-26(35-24(32)19(28)8-5-6-10-27)18-12-21-22-16(11-15-7-3-4-9-20(15)29-22)13-30(21)23(31)17(18)14-34-25(26)33;/h3-4,7,9,11-12,19H,2,5-6,8,10,13-14,27-28H2,1H3;1H/t19 ,26-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)C(CCCCN)N.Cl	PHEXRCGDJLXLMB-UKBNZDFYSA-N
DG64900	Camptothecin glutamate HCl	11969672	"NSC610459; Camptothecin glutamate HCl; CHEMBL1980909; NSC-610459; L-Glutamic acid,4,12,14-tetrahydro-3,14-dioxo- 1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl ester, monohydrochloride, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	610459	.	.	.	.	513.9	C25H24ClN3O7	149	1020	.	36	3	9	7	"InChI=1S/C25H23N3O7.ClH/c1-2-25(35-23(32)17(26)7-8-20(29)30)16-10-19-21-14(9-13-5-3-4-6-18(13)27-21)11-28(19)22(31)15(16)12-34-24(25)33;/h3-6,9-10,17H,2,7-8,11-12,26H2,1H3,(H,29,30);1H/t17 ,25-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)C(CCC(=O)O)N.Cl	SYASZMQNOJFHDU-HPXLZEMXSA-N
DG64901	"Cyclopentaneethanol, 1A,2A,4A(E)"	11969729	"NSC617189; CHEMBL1998575; Cyclopentaneethanol, 1A,2A,4A(E); NSC-617189"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617189	.	.	.	.	378.5	C24H30N2O2	78.5	555	3.4	28	4	4	7	"InChI=1S/C24H30N2O2/c1-3-19(16-27)20-13-23(26-15-18-9-5-4-6-10-18)24(28,14-20)17(2)21-11-7-8-12-22(21)25/h3-12,20,23,26-28H,2,13-16,25H2,1H3/b19-3-/t20-,23+,24+/m1/s1"	C/C=C(/CO)\\[C@@H]1C[C@@H]([C@](C1)(C(=C)C2=CC=CC=C2N)O)NCC3=CC=CC=C3	FOVDKDBHNLNUIY-WRHPGBTQSA-N
DG64902	"Camptothecin-20-O-(N,N-dimethyl)glycinate HCl"	11969742	"NSC618939; Camptothecin-20-O-(N,N-dimethyl)glycinate HCl; CHEMBL1987275; NSC-618939; Glycine,N-dimethyl-, 4-ethyl-3,4,12,14-tetrahydro-3,14- dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl ester, monohydrochloride, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618939	.	.	.	.	469.9	C24H24ClN3O5	89	909	.	33	1	7	5	"InChI=1S/C24H23N3O5.ClH/c1-4-24(32-20(28)12-26(2)3)17-10-19-21-15(9-14-7-5-6-8-18(14)25-21)11-27(19)22(29)16(17)13-31-23(24)30;/h5-10H,4,11-13H2,1-3H3;1H/t24-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CN(C)C.Cl	AHCBDZJRJCTEHB-JIDHJSLPSA-N
DG64903	"5-Amino-1,4-B]pyrazin-7-ylcarbamic acid, 2-fluoroethyl ester, chloroformate, hydrate [20:4:15]"	11969855	"NSC628803; CHEMBL1995318; NSC-628803; 5-AMINO-1,4-B]PYRAZIN-7-YLCARBAMIC ACID, 2-FLUOROETHYL ESTER, CHLOROFORMATE, HYDRATE [20:4:15]; S-(-)Pyrido[3, 5-amino-1,2- dihydro-2-methyl-3-phenyl-, 2-fluoroethyl ester, chloroformate, hydrate [20:4:15]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628803	.	.	.	.	462.7	C18H19Cl3FN5O2	102	505	.	29	3	7	5	"InChI=1S/C17H18FN5O2.CHCl3/c1-10-14(11-5-3-2-4-6-11)23-15-12(20-10)9-13(21-16(15)19)22-17(24)25-8-7-18;2-1(3)4/h2-6,9-10,20H,7-8H2,1H3,(H3,19,21,22,24);1H/t10-;/m0./s1"	C[C@H]1C(=NC2=C(N=C(C=C2N1)NC(=O)OCCF)N)C3=CC=CC=C3.C(Cl)(Cl)Cl	LTVVRGOXJXZBGA-PPHPATTJSA-N
DG64904	NSC631570	11969872	"(12S)-24-[2-[[[2-[(12R)-12-hydroxy-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-24-yl]ethylamino]-[2-[(12S)-12-hydroxy-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-24-yl]ethylamino]phosphinothioyl]amino]ethyl]-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol;hydrate; NSC631570; SCHEMBL18991; CHEMBL1975415"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631570	.	.	.	.	1270.4	C66H74N6O16PS+3	241	2380	.	90	7	20	12	"InChI=1S/C66H72N6O15PS.H2O/c1-70(25-43-37(4-7-49-64(43)85-31-76-49)58-46(73)16-34-19-52-55(82-28-79-52)22-40(34)61(58)70)13-10-67-88(89,68-11-14-71(2)26-44-38(5-8-50-65(44)86-32-77-50)59-47(74)17-35-20-53-56(83-29-80-53)23-41(35)62(59)71)69-12-15-72(3)27-45-39(6-9-51-66(45)87-33-78-51)60-48(75)18-36-21-54-57(84-30-81-54)24-42(36)63(60)72;/h4-9,19-24,46-48,58-63,73-75H,10-18,25-33H2,1-3H3,(H3,67,68,69,89);1H2/q+3;/t46-,47-,48+,58 ,59 ,60 ,61 ,62 ,63 ,70 ,71 ,72 ,88 ;/m0./s1"	C[N+]1(CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5C[C@H]4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)C1C7C2=CC3=C(C=C2C[C@@H]1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)C2C1C1=CC3=C(C=C1C[C@@H]2O)OCO3)C.O	FPORNMFLKJTCFO-GIBOVVLPSA-N
DG64905	"(-)-(6R,11S,18R,22S)-26-Hydroxy-22-methyl-cycloirid-16-enal"	11969875	"NSC-631939; NSC631939; CHEMBL2007382; SCHEMBL14107115; (-)-(6R,11S,18R,22S)-26-Hydroxy-22-methyl-cycloirid-16-enal"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631939	.	.	.	.	486.7	C31H50O4	77.8	861	5.6	35	3	4	10	"InChI=1S/C31H50O4/c1-22(12-15-27-23(2)13-14-25(4)29(27,5)6)10-8-17-31(21-34)28(11-9-19-32)26(24(3)20-33)16-18-30(31,7)35/h10,12-13,15,20,25,27-28,32,34-35H,8-9,11,14,16-19,21H2,1-7H3/b15-12+,22-10+,26-24-/t25-,27 ,28+,30-,31+/m0/s1"	C[C@H]1CC=C(C(C1(C)C)/C=C/C(=C/CC[C@]2([C@@H](/C(=C(/C)\\C=O)/CC[C@]2(C)O)CCCO)CO)/C)C	CUWJDZXEDIUEEW-GISLAJJLSA-N
DG64906	NSC631940	11969876	"2-[(1R,2S,5S,6S,9Z,10R)-1,6-Dihydroxy-6-methyl-10-(3-hydroxypropyl)-2-[(2E,4E)-5,9-dimethyl-1-methylene-2,4,8-decatrienyl]spiro[4.5]decan-9-ylidene]propanal; NSC631940; CHEMBL508878; NSC-631940; (+)-(6R,11S,14S,26R)-26-Hydroxy-15-methylidenespiroirid-16-enal; 2-[(1R,2S,5S,6S,9Z,10R)-1,6-Dihydroxy-6-methyl-10-(3-hydroxypropyl)-2-[(2E,4E)-5,9-dimethyl-1-methylene-2,4,8-decatrienyl]spiro[4.5]decan-9-ylidene]propanal"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631940	.	.	.	.	470.7	C30H46O4	77.8	857	5.5	34	3	4	10	"InChI=1S/C30H46O4/c1-21(2)10-7-11-22(3)12-8-13-23(4)26-16-18-30(28(26)33)27(14-9-19-31)25(24(5)20-32)15-17-29(30,6)34/h8,10,12-13,20,26-28,31,33-34H,4,7,9,11,14-19H2,1-3,5-6H3/b13-8+,22-12+,25-24-/t26-,27+,28+,29-,30-/m0/s1"	CC(=CCC/C(=C/C=C/C(=C)[C@@H]1CC[C@@]2([C@@H]1O)[C@@H](/C(=C(/C)\\C=O)/CC[C@]2(C)O)CCCO)/C)C	CKYPHBIOFUNLLX-GUUGYBTRSA-N
DG64907	Uyshrhkohclbce-phrmgerwsa-	11969877	"CHEMBL1970520; UYSHRHKOHCLBCE-PHRMGERWSA-; NSC631942; NSC-631942; (6R,11R)-26.xi.-Hydroxy-13.xi.-oxaspiroirid-16-enal"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631942	.	.	.	.	486.7	C30H46O5	87	888	5.1	35	3	5	10	"InChI=1S/C30H46O5/c1-21(2)10-7-11-22(3)12-8-13-23(4)18-25-19-30(28(33)35-25)27(14-9-17-31)26(24(5)20-32)15-16-29(30,6)34/h8,10,12-13,18,20,25,27-28,31,33-34H,7,9,11,14-17,19H2,1-6H3/b13-8+,22-12+,23-18+,26-24-/t25 ,27-,28 ,29+,30+/m1/s1"	CC(=CCC/C(=C/C=C/C(=C/C1C[C@]2([C@@H](/C(=C(/C)\\C=O)/CC[C@]2(C)O)CCCO)C(O1)O)/C)/C)C	UYSHRHKOHCLBCE-PHRMGERWSA-N
DG64908	"(S)9-Amino-20-O-(N,N-dimethyl)glycinyl camptothecin.HCl"	11969927	"MLS002701687; NSC639176; NSC-639176; (S)9-Amino-20-O-(N,N-dimethyl)glycinyl camptothecin.HCl"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639176	.	.	.	.	484.9	C24H25ClN4O5	115	943	.	34	2	8	5	"InChI=1S/C24H24N4O5.ClH/c1-4-24(33-20(29)11-27(2)3)16-9-19-21-13(8-14-17(25)6-5-7-18(14)26-21)10-28(19)22(30)15(16)12-32-23(24)31;/h5-9H,4,10-12,25H2,1-3H3;1H/t24-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)OC(=O)CN(C)C.Cl	VCFQXXKUPMCLFP-JIDHJSLPSA-N
DG64909	NSC643547	11969948	"(2Z)-2-[(3R,4S,6R,10S)-4,10-dihydroxy-3-[(3E,5Z)-6-(hydroxymethyl)-10-methylundeca-1,3,5,9-tetraen-2-yl]-6-(3-hydroxypropyl)-10-methylspiro[4.5]decan-7-ylidene]propanal; NSC643547; CHEMBL1970500; NSC-643547; Spiroirida-15(28), 14,15-dihydro- 26(R),29-dihydroxy- (+)- (6R,10S,11S14S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643547	.	.	.	.	486.7	C30H46O5	98	875	4.2	35	4	5	11	"InChI=1S/C30H46O5/c1-21(2)9-6-11-24(20-33)12-7-10-22(3)26-15-17-30(28(26)34)27(13-8-18-31)25(23(4)19-32)14-16-29(30,5)35/h7,9-10,12,19,26-28,31,33-35H,3,6,8,11,13-18,20H2,1-2,4-5H3/b10-7+,24-12-,25-23-/t26-,27-,28+,29+,30 /m1/s1"	CC(=CCC/C(=C/C=C/C(=C)[C@H]1CCC2([C@H]1O)[C@@H](/C(=C(/C)\\C=O)/CC[C@]2(C)O)CCCO)/CO)C	PFWNRJSLKAVWGD-WHPGRMRZSA-N
DG64910	Homovinblastine methanesulfonate salt	11970002	NSC651726; Homovinblastine methanesulfonate salt; NSC-651726	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651726	.	.	.	.	937.1	C48H64N4O13S	226	1820	.	66	4	16	11	"InChI=1S/C47H60N4O9.CH4O4S/c1-8-43(55)24-29-25-46(41(53)58-6,37-31(15-12-19-50(26-29)27-43)30-14-10-11-16-34(30)48-37)33-22-32-35(23-36(33)57-5)49(4)39-45(32)18-21-51-20-13-17-44(9-2,38(45)51)40(60-28(3)52)47(39,56)42(54)59-7;1-5-6(2,3)4/h10-11,13-14,16-17,22-23,29,38-40,48,55-56H,8-9,12,15,18-21,24-27H2,1-7H3;1H3,(H,2,3,4)/t29 ,38 ,39 ,40 ,43-,44+,45 ,46-,47+;/m0./s1"	CC[C@@]1(CC2C[C@@](C3=C(CCCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7[C@@](C=CC9)(C([C@](C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.COS(=O)(=O)O	ZTESAYQRCHVTAU-RYQDKXBUSA-N
DG64911	alpha-Cyclopentoblastine methanesulfonate salt	11970004	NSC651727; NSC-651727; .alpha.-Cyclopentoblastine methanesulfonate salt	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651727	.	.	.	.	919.1	C48H62N4O12S	206	1820	.	65	3	15	10	"InChI=1S/C47H58N4O8.CH4O4S/c1-7-44-17-11-19-51-21-18-45(39(44)51)33-22-34(37(56-4)23-36(33)49(3)40(45)47(55,43(54)58-6)41(44)59-27(2)52)46(42(53)57-5)24-29-26-50(25-28-12-10-14-30(28)29)20-16-32-31-13-8-9-15-35(31)48-38(32)46;1-5-6(2,3)4/h8-9,11,13,15,17,22-23,28-30,39-41,48,55H,7,10,12,14,16,18-21,24-26H2,1-6H3;1H3,(H,2,3,4)/t28-,29 ,30-,39 ,40 ,41 ,44+,45 ,46-,47+;/m0./s1"	CC[C@@]12C=CCN3C1C4(CC3)C([C@@](C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)[C@]6(CC7CN(CCC8=C6NC9=CC=CC=C89)C[C@H]1[C@@H]7CCC1)C(=O)OC)OC)C.COS(=O)(=O)O	XUQAHZBKBGWRQR-UXIFXUQNSA-N
DG64912	"(3S,3aS,7E)-7-benzylidene-5-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-2-carbothioamide;hydrochloride"	11970010	NSC652821; CHEMBL1985265; NSC-652821	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652821	.	.	.	.	399	C21H23ClN4S	77	587	.	27	2	3	2	"InChI=1S/C21H22N4S.ClH/c1-24-13-17(12-15-8-4-2-5-9-15)19-18(14-24)20(25(23-19)21(22)26)16-10-6-3-7-11-16;/h2-12,18,20H,13-14H2,1H3,(H2,22,26);1H/b17-12+;/t18-,20-;/m1./s1"	CN1C[C@H]2[C@H](N(N=C2/C(=C/C3=CC=CC=C3)/C1)C(=S)N)C4=CC=CC=C4.Cl	ZYOPFPIGVXMDJN-JSZSVTAESA-N
DG64913	Aclarlubicin HCl	11970023	ACLACINOMYCIN HYDROCHLORIDE; Aclarlubicin HCl; Aclacinomycin HCl; NSC654508; NSC-654508	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654508	.	.	.	.	848.3	C42H54ClNO15	217	1530	.	59	5	16	10	"InChI=1S/C42H53NO15.ClH/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29;/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3;1H/t18 ,19 ,20 ,24 ,27 ,28-,29 ,30 ,31 ,35 ,39 ,40 ,42+;/m0./s1"	CC[C@]1(C[C@@H](C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O.Cl	KUSMIBXCRZTVML-GCYJRYRVSA-N
DG64914	THP-adriamycin HCl	11970024	Pirarubicin HCl; THP-adriamycin HCl; NSC654509; NSC-654509	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654509	.	.	.	.	664.1	C32H38ClNO12	204	1120	.	46	6	13	7	"InChI=1S/C32H37NO12.ClH/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38;/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3;1H/t14 ,17 ,19 ,21 ,22 ,31 ,32-;/m0./s1"	CC1C(C(CC(O1)OC2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)OC6CCCCO6.Cl	ZPHYPKKFSHAVOE-XFQXKDBGSA-N
DG64915	beta-Cyclohexanoblastine	11970034	.beta.-Cyclohexanoblastine; NSC655617; NSC-655617	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655617	.	.	.	.	933.1	C49H64N4O12S	206	1830	.	66	3	15	10	"InChI=1S/C48H60N4O8.CH4O4S/c1-7-45-18-12-20-52-22-19-46(40(45)52)34-23-35(38(57-4)24-37(34)50(3)41(46)48(56,44(55)59-6)42(45)60-28(2)53)47(43(54)58-5)25-30-27-51(26-29-13-8-9-14-31(29)30)21-17-33-32-15-10-11-16-36(32)49-39(33)47;1-5-6(2,3)4/h10-12,15-16,18,23-24,29-31,40-42,49,56H,7-9,13-14,17,19-22,25-27H2,1-6H3;1H3,(H,2,3,4)/t29 ,30 ,31 ,40-,41 ,42 ,45+,46 ,47-,48+;/m0./s1"	CC[C@@]12C=CCN3[C@@H]1C4(CC3)C([C@@](C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)[C@]6(CC7CN(CCC8=C6NC9=CC=CC=C89)CC1C7CCCC1)C(=O)OC)OC)C.COS(=O)(=O)O	QOTVOWMCBCDJIY-ZHGINRBASA-N
DG64916	NSC658002	11970052	"3-[(2S,3aR,9aS,9bS)-3a-(hydroxymethyl)-6,6,9a-trimethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]-2-hydroxy-2H-furan-5-one; NSC658002; CHEMBL2374115; NSC-658002"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658002	.	.	.	.	350.4	C20H30O5	76	611	2.5	25	2	5	2	"InChI=1S/C20H30O5/c1-18(2)6-4-7-19(3)14(18)5-8-20(11-21)15(19)10-13(25-20)12-9-16(22)24-17(12)23/h9,13-15,17,21,23H,4-8,10-11H2,1-3H3/t13-,14 ,15-,17 ,19-,20-/m0/s1"	C[C@]12CCCC(C1CC[C@@]3([C@H]2C[C@H](O3)C4=CC(=O)OC4O)CO)(C)C	KRFXWKURJSADKH-RTVRYBNZSA-N
DG64917	NSC659947	11970066	"(9S)-9-acetyl-7-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride; NSC659947; NSC-659947; 7-O-[3-O-93-Amino-2,6-trideoxy-.alpha.-L.lyxo-hexopyranosy l)-2,6-dideoxy-.alpha.-L-arabino-hexopyranosyl]-daunomycinone hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659947	.	.	.	.	694.1	C33H40ClNO13	225	1200	.	48	7	14	6	"InChI=1S/C33H39NO13.ClH/c1-12-27(36)17(34)8-21(44-12)46-19-9-22(45-13(2)28(19)37)47-20-11-33(42,14(3)35)10-16-24(20)32(41)26-25(30(16)39)29(38)15-6-5-7-18(43-4)23(15)31(26)40;/h5-7,12-13,17,19-22,27-28,36-37,39,41-42H,8-11,34H2,1-4H3;1H/t12 ,13 ,17 ,19 ,20 ,21 ,22 ,27 ,28 ,33-;/m0./s1"	CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3C[C@@](CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)C)O)N)O.Cl	SKRZBWIPHSSTDG-LBPHQPJGSA-N
DG64918	"Triacetyl 13,15-isocrambescidin 800 hydrochloride"	11970117	"CHEMBL2000256; NSC713160; NSC-713160; Triacetyl 13,15-isocrambescidin 800 hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713160	.	.	.	.	963.7	C51H87ClN6O9	177	1640	.	67	4	10	30	"InChI=1S/C51H86N6O9.ClH/c1-6-43-25-19-20-30-50(66-43)36-42-27-28-45-47(51(31-22-24-38(2)65-51)55-49(54-50)57(42)45)48(62)63-35-21-17-15-13-11-9-7-8-10-12-14-16-18-26-46(61)56(34-23-32-52-39(3)58)37-44(64-41(5)60)29-33-53-40(4)59;/h19,25,38,42-45,47H,6-18,20-24,26-37H2,1-5H3,(H3,52,53,54,55,58,59);1H/t38-,42+,43+,44+,45+,47+,50+,51+;/m1./s1"	CC[C@H]1C=CCC[C@]2(O1)C[C@@H]3CC[C@@H]4[N+]3=C(N2)N[C@@]5([C@@H]4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCNC(=O)C)C[C@H](CCNC(=O)C)OC(=O)C)CCC[C@H](O5)C.[Cl-]	SGKDPKUVWZUIQR-MHOCCOFMSA-N
DG64919	NSC688233	11972628	"[(1S,2R,3R,4S,5S,7R,8R,9S,10S,14R)-1,8,16-Triacetyloxy-2-(2-acetyloxyacetyl)oxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate; [(1S,2R,3R,4S,5S,7R,8R,9S,10S,14R)-1,8,16-Triacetyloxy-2-(2-acetyloxyacetyl)oxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate; 188939-75-5; NSC688233; MEGxp0_001935; CHEMBL1974411; ACon1_002283; NSC-688233; NCGC00169990-01; NCI60_031831"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688233	.	.	.	.	714.8	C37H46O14	195	1460	3.4	51	1	14	14	"InChI=1S/C37H46O14/c1-18-14-36(45)27(28(18)50-31(44)23-12-10-9-11-13-23)30(49-26(42)17-46-19(2)38)37(51-22(5)41)15-24-25(16-34(6,7)29(24)43)35(8,32(36)47-20(3)39)33(37)48-21(4)40/h9-13,18,24-25,27-28,30,32-33,45H,14-17H2,1-8H3/t18-,24+,25-,27+,28-,30+,32+,33 ,35-,36+,37-/m0/s1"	C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)[C@H]([C@]4(C[C@@H]5[C@H](CC(C5=O)(C)C)[C@@]([C@H]2OC(=O)C)(C4OC(=O)C)C)OC(=O)C)OC(=O)COC(=O)C)O	GVQACOLUOBLBLO-QLBLGQMTSA-N
DG64920	NSC688239	11972629	"[(1R,2R,3R,4S,5S,7R,8R,9S,10S,11S,14R)-1,8,11-triacetyloxy-2-(2-acetyloxyacetyl)oxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate; NSC688239; CHEMBL2004148; NSC-688239; NCI60_031837"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688239	.	.	.	.	714.8	C37H46O14	195	1460	3.4	51	1	14	14	"InChI=1S/C37H46O14/c1-18-14-37(45)27(28(18)50-32(44)23-12-10-9-11-13-23)31(49-25(42)16-46-19(2)38)36(51-22(5)41)15-24-26(35(8,17-36)33(37)48-21(4)40)30(47-20(3)39)34(6,7)29(24)43/h9-13,18,24,26-28,30-31,33,45H,14-17H2,1-8H3/t18-,24+,26+,27+,28-,30-,31+,33+,35-,36+,37+/m0/s1"	C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)[C@H]([C@]4(C[C@@H]5[C@H]([C@@H](C(C5=O)(C)C)OC(=O)C)[C@](C4)([C@H]2OC(=O)C)C)OC(=O)C)OC(=O)COC(=O)C)O	RCVCMLLRUPYTNC-QHAGBCAISA-N
DG64921	NSC715768	11972632	"methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10-acetyloxy-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate; NSC-715768; NSC715768; CHEMBL537957; NCI60_040022; 13,20-Epoxy-3-(acetyloxy)-11beta,12alpha-dihydroxy-15beta-[(3-methyl-1-oxo-2-butenyl)oxy]-2,16-dioxopicras-3-en-21-oic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715768	.	.	.	.	562.6	C28H34O12	172	1260	1	40	2	12	7	"InChI=1S/C28H34O12/c1-11(2)7-17(31)40-20-22-27-10-37-28(22,25(35)36-6)23(33)18(32)21(27)26(5)9-15(30)19(38-13(4)29)12(3)14(26)8-16(27)39-24(20)34/h7,14,16,18,20-23,32-33H,8-10H2,1-6H3/t14-,16+,18+,20+,21+,22+,23-,26-,27+,28-/m0/s1"	CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)OC(=O)C	TUCCRVXYEZZAAX-HKIXHUCJSA-N
DG64922	"4-Chloro-3-(5-methyl-3-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)amino)benzo[e][1,2,4]triazin-7-yl)phenyl benzoate"	11973736	"867331-82-6; TG 100801; TG100801; TG-100801; UNII-1VZO7A0J9S; 4-Chloro-3-(5-methyl-3-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)amino)benzo[e][1,2,4]triazin-7-yl)phenyl benzoate; 1VZO7A0J9S; 4-Chloro-3-(5-methyl-3-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-amino)benzo[e][1,2,4]triazin-7-yl)phenyl benzoate; 867331-82-6 (free base); [4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate; CID 11973736; C33H30ClN5O3; CHEMBL403989; SCHEMBL12198196; BDBM97971; DTXSID20235791; BCP02570; 3641AC; NSC800948; ZINC29136020; CS-0785; DB05075; NSC-800948; NCGC00378840-01; NCGC00378840-02; HY-10186; TG100-801; A916109; US8481536, 561; Q27252966; 4-Chloro-3-[5-methyl-3-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-1,2,4-benzotriazin-7-yl]phenol 1-benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800948	.	.	.	.	580.1	C33H30ClN5O3	89.5	848	7	42	1	8	10	"InChI=1S/C33H30ClN5O3/c1-22-19-24(28-21-27(13-14-29(28)34)42-32(40)23-7-3-2-4-8-23)20-30-31(22)36-33(38-37-30)35-25-9-11-26(12-10-25)41-18-17-39-15-5-6-16-39/h2-4,7-14,19-21H,5-6,15-18H2,1H3,(H,35,36,38)"	CC1=CC(=CC2=C1N=C(N=N2)NC3=CC=C(C=C3)OCCN4CCCC4)C5=C(C=CC(=C5)OC(=O)C6=CC=CC=C6)Cl	JMGXJHWTVBGOKG-UHFFFAOYSA-N
DG64923	N-(4-fluorophenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide	11975181	NSC735805; NSC-735805	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735805	.	.	.	.	373.4	C22H16FN3O2	61.8	609	3.5	28	1	4	4	"InChI=1S/C22H16FN3O2/c23-16-10-12-17(13-11-16)24-20(27)14-26-19-9-5-4-8-18(19)25-21(22(26)28)15-6-2-1-3-7-15/h1-13H,14H2,(H,24,27)"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)F	CVUIWSYQLQNQTG-UHFFFAOYSA-N
DG64924	"2,9-(methylenedioxy)-11H-indeno[1,2-c]isoquinoline Hydrochloride"	11976942	"CHEMBL190444; SCHEMBL5792807; NSC709756; NSC-709756; 2,9-(methylenedioxy)-11H-indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709756	.	.	.	.	357.8	C19H16ClNO4	49.8	474	.	25	1	5	2	"InChI=1S/C19H15NO4.ClH/c1-21-15-5-11-8-20-19-13-7-18-17(23-9-24-18)4-10(13)3-14(19)12(11)6-16(15)22-2;/h4-8H,3,9H2,1-2H3;1H"	COC1=C(C=C2C3=C(C4=CC5=C(C=C4C3)OCO5)N=CC2=C1)OC.Cl	XJFXRFAHVPNAHA-UHFFFAOYSA-N
DG64925	BGT-226 free base	11978790	"BGT-226 free base; BGT226; 915020-55-2; BGT226 free base; BGT-226; UNII-ZXE7F2GMJJ; BGT 226; ZXE7F2GMJJ; 915020-55-2 (free base); CHEBI:71967; 8-(6-Methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-trifluoromethylphenyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one; 8-(6-methoxypyridin-3-yl)-3-methyl-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]quinolin-2(3H)-one; 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one; 8-(6-Methoxypyridin-3-yl)-3-methyl-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one; BGT-226 (maleate salt); NPV-BGT226; SCHEMBL146939; GTPL7951; SYN1178A; CHEMBL3218578; DTXSID60238600; C28H25F3N6O2; BDBM185147; BCP26216; EX-A3430; HY-13334A; NSC773095; NSC799358; ZINC73069304; AKOS037643410; NSC-773095; NSC-799358; NCGC00346681-01; NCGC00346681-09; NCGC00346681-11; 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one; AS-16313; DA-18144; US9284315, BGT-226; CS-0034414; FT-0729257; Q27075202; BGT 226; BGT-226; NVP-BGT226; NVP-BGT-226; NVP-BGT 226; 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]imidazo[5,4-c]quinolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799358	.	.	.	.	534.5	C28H25F3N6O2	73.8	873	4	39	1	9	4	"InChI=1S/C28H25F3N6O2/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36/h3-8,13-16,32H,9-12H2,1-2H3"	CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCNCC5)C(F)(F)F)C6=CN=C(C=C6)OC	BMMXYEBLEBULND-UHFFFAOYSA-N
DG64926	"Tris(1,3-dionata)gallium(III)"	11979319	"NSC632573; Tris(1,3-dionata)gallium(III); NSC-632573; NCI60_010681"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632573	.	.	.	.	739.5	C45H33GaO6	102	873	.	52	0	9	6	InChI=1S/3C15H11O2.Ga/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h3*1-11H;/q3*-1;+3	C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Ga+3]	NMCLHOAZPRPGDQ-UHFFFAOYSA-N
DG64927	"Chlorotris(1,3-dionato)zirconium(IV)"	11979327	"NSC635899; Chlorotris(1,3-dionato)zirconium(IV); NSC-635899"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635899	.	.	.	.	796.4	C45H33ClO6Zr	102	873	.	53	0	10	6	InChI=1S/3C15H11O2.ClH.Zr/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;/h3*1-11H;1H;/q3*-1;;+4/p-1	C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Cl-].[Zr+4]	ZKOAAXSNAZELHB-UHFFFAOYSA-M
DG64928	"cis-Bis(1,3-dionato)titanium(IV)"	11979329	"NSC637219; cis-Bis(1,3- dionato)titanium(IV); NSC-637219"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637219	.	.	.	.	588.4	C32H28O8Ti	155	668	.	41	2	10	4	"InChI=1S/2C10H9O2.2C6H6O2.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*7-5-1-2-6(8)4-3-5;/h2*2-7H,1H3;2*1-4,7-8H;/q2*-1;;;+4/p-2"	CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC(=CC=C1O)[O-].C1=CC(=CC=C1O)[O-].[Ti+4]	IQXNQCWRFTUXFM-UHFFFAOYSA-L
DG64929	"Tris(1,10,12-tetraoxo-1,12-diphenyldodecanato)di-[neodymium(III)]-trihydrate"	11979347	"NSC647050; NSC-647050; Tris(1,10,12-tetraoxo-1,12-diphenyldodecanato)di- [neodymium(III)]-trihydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647050	.	.	.	.	1417.8	C72H72Nd2O12	241	1750	.	86	0	12	6	"InChI=1S/3C24H26O4.2Nd/c3*25-21(17-23(27)19-11-5-3-6-12-19)15-9-1-2-10-16-22(26)18-24(28)20-13-7-4-8-14-20;;/h3*3-8,11-14,17-18,27-28H,1-2,9-10,15-16H2;;/q;;;2*+3/p-6/b3*23-17-,24-18-;;"	C1=CC=C(C=C1)/C(=C/C(=O)CCCCCCC(=O)/C=C(\\[O-])/C2=CC=CC=C2)/[O-].C1=CC=C(C=C1)/C(=C/C(=O)CCCCCCC(=O)/C=C(\\[O-])/C2=CC=CC=C2)/[O-].C1=CC=C(C=C1)/C(=C/C(=O)CCCCCCC(=O)/C=C(\\[O-])/C2=CC=CC=C2)/[O-].[Nd+3].[Nd+3]	FDWIWARMDOEHHO-MICDYHQMSA-H
DG64930	4-Amino-N-(1-(6-hydroxy-2-mercapto-9H-purin-8-yl)-2-(3-(hydroxy(oxido)amino)phenyl)vinyl)benzamide	11979426	"NSC624420; CHEMBL1983271; NSC-624420; 4-amino-N-[(Z)-1-(6-hydroxy-2-sulfanyl-9H-purin-8-yl)-2-(3-nitrophenyl)vinyl]benzamide; Benzamide, 4-amino-N-[2-(3-nitrophenyl)-1- (2-thio-6-hydroxy-9H-purine-8-yl)ethenyl]-; 4-Amino-N-(1-(6-hydroxy-2-mercapto-9H-purin-8-yl)-2-(3-(hydroxy(oxido)amino)phenyl)vinyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624420	.	.	.	.	449.4	C20H15N7O4S	203	808	1.9	32	5	7	4	"InChI=1S/C20H15N7O4S/c21-12-6-4-11(5-7-12)18(28)22-14(9-10-2-1-3-13(8-10)27(30)31)16-23-15-17(24-16)25-20(32)26-19(15)29/h1-9H,21H2,(H,22,28)(H3,23,24,25,26,29,32)/b14-9-"	C1=CC(=CC(=C1)[N+](=O)[O-])/C=C(/C2=NC3=C(N2)C(=O)NC(=S)N3)\\NC(=O)C4=CC=C(C=C4)N	KGOUFUXEYDIKOB-ZROIWOOFSA-N
DG64931	"Mikamycin, B grade"	11979458	"NSC125176; Mikamycin B grade; Mikamycin, B grade; NSC-125176"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	125176	.	.	.	.	1392.5	C73H89N11O17	367	2730	.	101	6	20	8	"InChI=1S/C45H54N8O10.C28H35N3O7/c1-6-31-42(59)52-22-11-14-32(52)43(60)51(5)34(24-27-16-18-29(19-17-27)50(3)4)44(61)53-23-20-30(54)25-33(53)39(56)49-37(28-12-8-7-9-13-28)45(62)63-26(2)36(40(57)47-31)48-41(58)38-35(55)15-10-21-46-38;1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h7-10,12-13,15-19,21,26,31-34,36-37,55H,6,11,14,20,22-25H2,1-5H3,(H,47,57)(H,48,58)(H,49,56);5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b;7-5-,10-9+,18-13+"	CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=C(C=C6)N(C)C)C.CC1/C=C/C(=O)NC/C=C\\C(=C\\C(CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)OC1C(C)C)O)\\C	YVMBAUWDIGJRNY-RZZOLLLTSA-N
DG64932	"4,6-dinitro-5-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-1,3-dihydrobenzimidazol-2-one"	11979479	CHEMBL1981139; NSC710906; NSC-710906	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710906	.	.	.	.	403.26	C14H9N7O8	216	742	2.1	29	3	10	4	"InChI=1S/C14H9N7O8/c22-14-16-8-6-9(19(23)24)12(13(21(27)28)11(8)17-14)18-15-5-1-2-7-3-4-10(29-7)20(25)26/h1-6,18H,(H2,16,17,22)/b2-1+,15-5+"	C1=C(OC(=C1)[N+](=O)[O-])/C=C/C=N/NC2=C(C=C3C(=C2[N+](=O)[O-])NC(=O)N3)[N+](=O)[O-]	NUYSJUBYWNEZDM-RFLQISBHSA-N
DG64933	"4,6-Bis(acridin-9-ylamino)-5,7-dinitro-1,3-dihydrobenzimidazol-2-one"	11979480	CHEMBL1989916; NSC710907; NSC-710907; NCI60_039013	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710907	.	.	.	.	608.6	C33H20N8O5	183	1120	7.6	46	4	9	4	"InChI=1S/C33H20N8O5/c42-33-38-27-28(36-25-17-9-1-5-13-21(17)34-22-14-6-2-10-18(22)25)31(40(43)44)30(32(41(45)46)29(27)39-33)37-26-19-11-3-7-15-23(19)35-24-16-8-4-12-20(24)26/h1-16H,(H,34,36)(H,35,37)(H2,38,39,42)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=C(C(=C(C5=C4NC(=O)N5)[N+](=O)[O-])NC6=C7C=CC=CC7=NC8=CC=CC=C86)[N+](=O)[O-]	QRWUUGVTURCNBF-UHFFFAOYSA-N
DG64934	Bouvardia ternafolia	11979533	Bouvardia ternafolia; Mixture of NSC-259968 and 259969; CHEMBL1989449; Compound from Bouvardia ternafolia; Deoxybouvardin mixt. with bouvardin; NSC227262; BOUVARDIN-DEOXYBOUVARDIN MIXT.; NSC-227262; Mixture of NSC 259968 and 259969	.	.	Investigative Drug(s)	Investigative	Small molecular drug	227262	.	.	.	.	1529.7	C80H96N12O19	394	2830	.	111	9	19	6	"InChI=1S/C40H48N6O10.C40H48N6O9/c1-21-35(49)42-22(2)38(52)44(4)29(18-24-8-13-27(55-7)14-9-24)37(51)43-23(3)39(53)46(6)33-34(48)26-11-15-28(16-12-26)56-32-20-25(10-17-31(32)47)19-30(36(50)41-21)45(5)40(33)54;1-22-35(48)42-23(2)38(51)44(4)30(18-25-8-13-28(54-7)14-9-25)37(50)43-24(3)39(52)46(6)32-19-26-10-15-29(16-11-26)55-34-21-27(12-17-33(34)47)20-31(36(49)41-22)45(5)40(32)53/h8-17,20-23,29-30,33-34,47-48H,18-19H2,1-7H3,(H,41,50)(H,42,49)(H,43,51);8-17,21-24,30-32,47H,18-20H2,1-7H3,(H,41,49)(H,42,48)(H,43,50)"	CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)C)C)CC5=CC=C(C=C5)OC)C)C.CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2C(C3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)O)C)C)CC5=CC=C(C=C5)OC)C)C	UTRRTPWLDQPVJH-UHFFFAOYSA-N
DG64935	Piperidinium europium benzoyl trifluoroacetonate	11979537	"NSC253995; Piperidinium europium benzoyl trifluoroacetonate; NSC-253995; Europate(1-),4,4-trifluoro-1-phenyl-1,3-butanedionato-O,O')-, hydrogen, compd. with pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	253995	.	.	.	.	1091.7	C45H29EuF12NO8-	149	1260	.	67	0	25	4	"InChI=1S/4C10H6F3O2.C5H5N.Eu/c4*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;1-2-4-6-5-3-1;/h4*1-6H;1-5H;/q4*-1;;+3"	C1=CC=C(C=C1)C(=O)[CH-]C(=O)C(F)(F)F.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C(F)(F)F.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C(F)(F)F.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C(F)(F)F.C1=CC=NC=C1.[Eu+3]	QJHXRDPEDNNDLD-UHFFFAOYSA-N
DG64936	acetic acid;nickel;[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-pyridin-2-ylazanide	11979903	NSC625542; (phenyl[ ]yl) acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625542	.	.	.	.	392.1	C19H17N4NiO2-	76.4	428	.	26	1	6	1	"InChI=1S/C17H13N4.C2H4O2.Ni/c1-2-8-14(9-3-1)17(15-10-4-6-12-18-15)21-20-16-11-5-7-13-19-16;1-2(3)4;/h1-13H;1H3,(H,3,4);/q-1;;/b21-17+;;"	CC(=O)O.C1=CC=C(C=C1)/C(=N\\[N-]C2=CC=CC=N2)/C3=CC=CC=N3.[Ni]	VHHGATUWEBFZRU-PJPLBZAPSA-N
DG64937	"2,3-Bis(phenylmethylidene)naphthalene-1,4-dione;chloroiridium(2+);triphenylphosphane"	11979910	NSC630735; chloro(diphenyl)[ ]dione; triphenylphosphane	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630735	.	.	.	.	1086.6	C60H44ClIrO2P2	34.1	760	.	66	0	4	8	InChI=1S/C24H14O2.2C18H15P.ClH.Ir/c25-23-19-13-7-8-14-20(19)24(26)22(16-18-11-5-2-6-12-18)21(23)15-17-9-3-1-4-10-17;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-14H;2*1-15H;1H;/q-2;;;;+3/p-1	C1=CC=C(C=C1)[C-]=C2C(=[C-]C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ir+2]	WNUFTZHAILYCKS-UHFFFAOYSA-M
DG64938	"Acetic acid;acetonitrile;molybdenum;1,10-phenanthroline;ditetrafluoroborate"	11979917	"NSC654726; acetonitrile; [ ](acetoxy)molybdenum(1+); 1,10-phenanthroline; ditetrafluoroborate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654726	.	.	.	.	928.1	C32H30B2F8Mo2N6O4-2	174	312	.	54	2	20	0	"InChI=1S/2C12H8N2.2C2H3N.2C2H4O2.2BF4.2Mo/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-2-3;2*1-2(3)4;2*2-1(3,4)5;;/h2*1-8H;2*1H3;2*1H3,(H,3,4);;;;/q;;;;;;2*-1;;"	[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.CC(=O)O.CC(=O)O.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Mo].[Mo]	IRVXEKNDDDLTNJ-UHFFFAOYSA-N
DG64939	"tetraphenylboranuide; triphenyl-(4-phenyl-5-triphenylphosphaniumyl-4,5-dihydro-3H-diphosphol-3-yl)phosphonium"	11979921	"NSC676863; Phosphonium, (4,5-dihydro-4-phenyl-3H-1,2-diphosphole-3,5-diyl)bis[triphenyl-, compd. with borate(1-), tetraphenyl- (1:2); tetraphenylboranuide; triphenyl-(4-phenyl-5-triphenylphosphaniumyl-4,5-dihydro-3H-diphosphol-3-yl)phosphonium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676863	.	.	.	.	1341.1	C93H78B2P4	0	1150	.	99	0	2	17	"InChI=1S/C45H38P4.2C24H20B/c1-8-22-36(23-9-1)43-44(48(37-24-10-2-11-25-37,38-26-12-3-13-27-38)39-28-14-4-15-29-39)46-47-45(43)49(40-30-16-5-17-31-40,41-32-18-6-19-33-41)42-34-20-7-21-35-42;2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-35,43-45H;2*1-20H/q+2;2*-1"	[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)C2C(P=PC2[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8	QORLZMYCPVERDU-UHFFFAOYSA-N
DG64940	Basic red 6	11980862	NSC11241; basic red 6; C.I. Basic Red 6; CHEMBL2005461	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11241	.	.	.	.	930.9	C60H41Cl2N7	112	1380	.	69	3	7	2	"InChI=1S/C30H20N4.C30H19N3.2ClH/c31-24-16-27-29(22-13-5-3-11-20(22)24)33-30-23-14-6-4-12-21(23)25(32)17-28(30)34(27)26-15-7-9-18-8-1-2-10-19(18)26;31-25-18-28-30(24-14-6-5-13-23(24)25)32-29-22-12-4-2-9-20(22)16-17-27(29)33(28)26-15-7-10-19-8-1-3-11-21(19)26;;/h1-17H,(H3,31,32);1-18,31H;2*1H"	C1=CC=C2C(=C1)C=CC=C2[N+]3=C4C=C(C5=CC=CC=C5C4=NC6=C3C=CC7=CC=CC=C76)N.C1=CC=C2C(=C1)C=CC=C2[N+]3=C4C=C(C5=CC=CC=C5C4=NC6=C3C=C(C7=CC=CC=C76)N)N.[Cl-].[Cl-]	ZMVQHBODRYMWDG-UHFFFAOYSA-N
DG64941	NSC686305	11980934	"Methyl 2-acetamido-6-aminohexanoate;8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid; NCI60_031041; CHEMBL1976239; NSC686305; NSC-686305"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686305	.	.	.	.	1499.5	C60H58N8O26S6	615	3220	.	100	14	27	23	"InChI=1S/C51H40N6O23S6.C9H18N2O3/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80;1-7(12)11-8(9(13)14-2)5-3-4-6-10/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80);8H,3-6,10H2,1-2H3,(H,11,12)"	CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C.CC(=O)NC(CCCCN)C(=O)OC	WIIWOVFEVYYDKI-UHFFFAOYSA-N
DG64942	NSC710555	11980935	N-[2-(dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]-7-nitro-9-oxo-10H-acridin-1-yl]amino]propyl-methylamino]propylamino]-7-nitro-9-oxo-10H-acridine-4-carboxamide; CHEMBL104615; NSC710555; ZINC95546174; NSC-710555; NCI60_038916	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710555	.	.	.	.	849.9	C43H51N11O8	242	1460	5.8	62	6	15	18	"InChI=1S/C43H51N11O8/c1-50(2)22-18-46-42(57)28-10-14-34(36-38(28)48-32-12-8-26(53(59)60)24-30(32)40(36)55)44-16-6-20-52(5)21-7-17-45-35-15-11-29(43(58)47-19-23-51(3)4)39-37(35)41(56)31-25-27(54(61)62)9-13-33(31)49-39/h8-15,24-25,44-45H,6-7,16-23H2,1-5H3,(H,46,57)(H,47,58)(H,48,55)(H,49,56)"	CN(C)CCNC(=O)C1=C2C(=C(C=C1)NCCCN(C)CCCNC3=C4C(=C(C=C3)C(=O)NCCN(C)C)NC5=C(C4=O)C=C(C=C5)[N+](=O)[O-])C(=O)C6=C(N2)C=CC(=C6)[N+](=O)[O-]	LNERTESFKPZEMY-UHFFFAOYSA-N
DG64943	(11Z)-14-(furan-2-yl)-1-oxacyclotetradec-11-en-2-one	11994738	NSC735215; NSC-735215	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735215	.	.	.	.	276.4	C17H24O3	39.4	311	4.9	20	0	3	1	"InChI=1S/C17H24O3/c18-17-13-9-7-5-3-1-2-4-6-8-11-16(20-17)15-12-10-14-19-15/h6,8,10,12,14,16H,1-5,7,9,11,13H2/b8-6-"	C1CCCCC(=O)OC(C/C=C\\CCC1)C2=CC=CO2	IKLIDANFHXMHER-VURMDHGXSA-N
DG64944	Palomid 529	11998575	"Palomid 529; 914913-88-5; P529; Palomid-529; 8-(1-Hydroxyethyl)-2-methoxy-3-((4-methoxybenzyl)oxy)-6H-benzo[c]chromen-6-one; Palomid 529 (P529); SG 00529; SG-00529; P-529; 8-(1-hydroxyethyl)-2-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one; UNII-XV9409EWG4; 8-(1-Hydroxy-ethyl)-2-methoxy-3-(4-methoxy-benzyloxy)-benzo(c)chromen-6-one; 6H-Dibenzo(b,d)pyran-6-one, 8-(1-hydroxyethyl)-2-methoxy-3-((4-methoxyphenyl)methoxy)-; 8-(1-hydroxyethyl)-2-methoxy-3-(4-methoxybenzyloxy)-6H-benzo[c]chromen-6-one; Palomid529; 6H-Dibenzo[b,d]pyran-6-one, 8-(1-hydroxyethyl)-2-methoxy-3-[(4-methoxyphenyl)methoxy]-; 8-(1-hydroxy-ethyl)-2-methoxy-3-(4-methoxy-benzyloxy)-benzo[c]chromen-6-one; 8-(1-Hydroxyethyl)-2-methoxy-3-[(4-methoxybenzyl)oxy]-6H-benzo[c]chromen-6-one; RES-529; XV9409EWG4; Palomid 529,P529; MLS006011187; Palomid 529 - P529; SCHEMBL290034; C22H26Cl2N2O8; CHEMBL2141712; EX-A254; QCR-215; SYN5215; BCPP000131; HMS3655L14; HMS3673G05; AMY22735; BCP02474; MFCD18633224; NSC775306; NSC801008; s2238; AKOS024463339; ACN-030389; BCP9001049; CCG-268719; CS-0258; DB12812; NSC-775306; NSC-801008; SB16564; SG00529; 8-(1-hydroxyethyl)-2-methoxy-3-((4-methoxyphenyl)methoxy)-6h-dibenzo(b,d)pyran-6-one; NCGC00263125-01; NCGC00263125-10; AC-31523; AS-16573; HY-14581; SMR004702956; SW219676-1; Y0291; J-519339; Q27294013; P-529; ; ; 8-(1-Hydroxyethyl)-2-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775306	.	.	.	.	406.4	C24H22O6	74.2	574	4	30	1	6	6	"InChI=1S/C24H22O6/c1-14(25)16-6-9-18-19-11-22(28-3)23(12-21(19)30-24(26)20(18)10-16)29-13-15-4-7-17(27-2)8-5-15/h4-12,14,25H,13H2,1-3H3"	CC(C1=CC2=C(C=C1)C3=CC(=C(C=C3OC2=O)OCC4=CC=C(C=C4)OC)OC)O	YEAHTLOYHVWAKW-UHFFFAOYSA-N
DG64945	Gersemolide	12000066	"gersemolide; 106231-28-1; (4R,7Z,10R,11R)-7-METHYL-4,10-BIS(PROP-1-EN-2-YL)-12-OXABICYCLO[9.2.1]TETRADECA-1(14),7-DIENE-6,9,13-TRIONE; DTXSID10475543; NSC726175; NSC-726175"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726175	.	.	.	.	328.4	C20H24O4	60.4	678	3.9	24	0	4	2	"InChI=1S/C20H24O4/c1-11(2)14-6-7-15-10-18(24-20(15)23)19(12(3)4)17(22)8-13(5)16(21)9-14/h8,10,14,18-19H,1,3,6-7,9H2,2,4-5H3/b13-8-/t14-,18-,19+/m1/s1"	C/C/1=C/C(=O)[C@@H]([C@H]2C=C(CC[C@H](CC1=O)C(=C)C)C(=O)O2)C(=C)C	YEBDNBDBHUUVGR-OSGWYAKPSA-N
DG64946	Pluripotin	12003241	"Pluripotin; 839707-37-8; N-(3-(7-(1,3-dimethyl-1H-pyrazol-5-ylamino)-1-methyl-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)-4-methylphenyl)-3-(trifluoromethyl)benzamide; CHEMBL4213673; C27H25F3N8O2; N-(3-(7-((1,3-dimethyl-1H-pyrazol-5-yl)amino)-1-methyl-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)-4-methylphenyl)-3-(trifluoromethyl)benzamide; N-[3-[7-(2,5-Dimethyl-2H-pyrazol-3-ylamino)-1-methyl-2-oxo-1,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-trifluoromethyl-benzamide; N-[3-[7-[(2,5-dimethylpyrazol-3-yl)amino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide; SC1(Pluripotin); Stemolecule SC 1; Pluripotin (SC1); MLS006010719; SCHEMBL3135215; Pluripotin, >=98% (HPLC); BCP02463; EX-A1260; BDBM50459216; MFCD20527253; NSC763525; s7752; ZINC38141704; AKOS024458159; CCG-270003; CS-5597; NSC-763525; QC-8221; NCGC00167403-01; NCGC00167403-02; NCGC00167403-03; AC-33205; AS-77285; HY-10579; SMR004701683; X5707; A915250; N-[3-[7-[(1,3-Dimethyl-1H-pyrazol-5 -yl)amino]-1,4-dihydro-1-methyl-2-oxopyrimido[4,5- d]pyrimidin-3(2H)-yl]-4-methylphenyl]-3-(trifluoro methyl)benzamide; N-[3-[7-[(1,3-Dimethyl-1H-pyrazol-5-yl)amino]-1,4-dihydro-1-methyl-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763525	.	.	.	.	550.5	C27H25F3N8O2	108	925	4	40	2	9	5	"InChI=1S/C27H25F3N8O2/c1-15-8-9-20(32-24(39)17-6-5-7-19(11-17)27(28,29)30)12-21(15)38-14-18-13-31-25(34-23(18)36(3)26(38)40)33-22-10-16(2)35-37(22)4/h5-13H,14H2,1-4H3,(H,32,39)(H,31,33,34)"	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)N3CC4=CN=C(N=C4N(C3=O)C)NC5=CC(=NN5C)C	NBZFRTJWEIHFPF-UHFFFAOYSA-N
DG64947	"2,4-Dimethanol"	12013259	"2,4-dimethanol; NSC726086; NSC-726086"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726086	.	.	.	.	292.4	C14H12O3S2	110	274	2	19	2	5	4	"InChI=1S/C14H12O3S2/c15-7-9-10(8-16)14(12-4-2-6-19-12)17-13(9)11-3-1-5-18-11/h1-6,15-16H,7-8H2"	C1=CSC(=C1)C2=C(C(=C(O2)C3=CC=CS3)CO)CO	LSYXOPJDOQPYGR-UHFFFAOYSA-N
DG64948	5-Chloro-2-[(alphaZ)-5-nitrofurfurylidene]benzofuran-3(2H)-one	12024467	CHEMBL333990; NSC772280; NSC-772280; 5-Chloro-2-[(5-nitro-2-furyl)methylene]benzofuran-3(2H)-one; 5-Chloro-2-[(alphaZ)-5-nitrofurfurylidene]benzofuran-3(2H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772280	.	.	.	.	291.64	C13H6ClNO5	85.3	460	3.5	20	0	5	1	InChI=1S/C13H6ClNO5/c14-7-1-3-10-9(5-7)13(16)11(20-10)6-8-2-4-12(19-8)15(17)18/h1-6H/b11-6-	C1=CC2=C(C=C1Cl)C(=O)/C(=C/C3=CC=C(O3)[N+](=O)[O-])/O2	KZDFKLCZCSDWJP-WDZFZDKYSA-N
DG64949	NSC726197	12114764	"(5aR,10aS,10cR)-7,7,10a,10c-Tetramethyl-2,5a,6,6a,7,8,9, 10,10a,10c-decahydro-4H-5-oxa-acephenanthrylene-3-carboxylic acid methyl ester; NSC726197; NSC-726197; (5aR,10aS,10cR)-7,7,10a,10c-Tetramethyl-2,5a,6,6a,7,8,9, 10,10a,10c-decahydro-4H-5-oxa-acephenanthrylene-3-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726197	.	.	.	.	330.5	C21H30O3	35.5	656	4.2	24	0	3	2	"InChI=1S/C21H30O3/c1-19(2)9-6-10-20(3)15-8-7-13(18(22)23-5)14-12-24-17(11-16(19)20)21(14,15)4/h8,16-17H,6-7,9-12H2,1-5H3/t16-,17+,20+,21-/m0/s1"	C[C@]12CCCC([C@@H]1C[C@@H]3[C@@]4(C2=CCC(=C4CO3)C(=O)OC)C)(C)C	QRZYQIRNAWSAJE-NLEAXPPASA-N
DG64950	Agn-PC-0NI2ET	12201865	54785-20-5; NSC180966; AGN-PC-0NI2ET; CHEMBL1967922; DTXSID10480253; NSC-180966	.	.	Investigative Drug(s)	Investigative	Small molecular drug	180966	.	.	.	.	575.5	C26H22FNO11S	175	924	.	40	0	12	8	"InChI=1S/C26H22NO8.FHO3S/c1-13(28)32-22-8-17-6-7-19-20-10-24(34-15(3)30)23(33-14(2)29)9-18(20)12-27(5)26(19)21(17)11-25(22)35-16(4)31;1-5(2,3)4/h6-12H,1-5H3;(H,2,3,4)/q+1;/p-1"	CC(=O)OC1=C(C=C2C(=C1)C=CC3=C2[N+](=CC4=CC(=C(C=C34)OC(=O)C)OC(=O)C)C)OC(=O)C.[O-]S(=O)(=O)F	RZLSULLBCVGHLF-UHFFFAOYSA-M
DG64951	Agn-PC-0NI2EU	12201866	"54824-96-3; NSC179207; AGN-PC-0NI2EU; CHEMBL2000255; DTXSID70480254; Benzo[c]phenanthridinium,3,8,9-tetramethoxy-5-methyl-, fluorosulfate, hemihydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	179207	.	.	.	.	463.5	C22H22FNO7S	106	582	.	32	0	8	4	"InChI=1S/C22H22NO4.FHO3S/c1-23-12-14-9-19(25-3)20(26-4)10-16(14)15-7-6-13-8-18(24-2)21(27-5)11-17(13)22(15)23;1-5(2,3)4/h6-12H,1-5H3;(H,2,3,4)/q+1;/p-1"	C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)OC)OC)OC)OC.[O-]S(=O)(=O)F	QDSPTITWFHWOTF-UHFFFAOYSA-M
DG64952	"6-methyl-5H-indolo[2,3-b]quinolin-11-one"	12205646	NSC730514; NSC-730514	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730514	.	.	.	.	248.28	C16H12N2O	34	383	3.4	19	1	2	0	"InChI=1S/C16H12N2O/c1-18-13-9-5-3-7-11(13)14-15(19)10-6-2-4-8-12(10)17-16(14)18/h2-9H,1H3,(H,17,19)"	CN1C2=CC=CC=C2C3=C1NC4=CC=CC=C4C3=O	AMPOKYCOEAMJEQ-UHFFFAOYSA-N
DG64953	(E)-1-(6-hydroxy-4-methoxybenzofuran-5-yl)-3-(2-methoxyphenyl)prop-2-en-1-one	12211442	CHEMBL3291507; NSC753616; NSC-753616; (E)-1-(6-hydroxy-4-methoxybenzofuran-5-yl)-3-(2-methoxyphenyl)prop-2-en-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753616	.	.	.	.	324.3	C19H16O5	68.9	463	4.2	24	1	5	5	"InChI=1S/C19H16O5/c1-22-16-6-4-3-5-12(16)7-8-14(20)18-15(21)11-17-13(9-10-24-17)19(18)23-2/h3-11,21H,1-2H3/b8-7+"	COC1=CC=CC=C1/C=C/C(=O)C2=C(C3=C(C=C2O)OC=C3)OC	GADCYFCQKORMDY-BQYQJAHWSA-N
DG64954	(2E)-6-[2-(dimethylamino)ethoxy]-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-3H-inden-1-one;sulfuric acid	12214427	NSC277184	.	.	Investigative Drug(s)	Investigative	Small molecular drug	277184	.	.	.	.	454.5	C18H22N4O8S	176	655	.	31	2	10	5	"InChI=1S/C18H20N4O4.H2O4S/c1-20(2)6-7-26-14-5-4-12-8-13(18(23)15(12)10-14)9-16-19-11-17(21(16)3)22(24)25;1-5(2,3)4/h4-5,9-11H,6-8H2,1-3H3;(H2,1,2,3,4)/b13-9+;"	CN1C(=CN=C1/C=C/2\\CC3=C(C2=O)C=C(C=C3)OCCN(C)C)[N+](=O)[O-].OS(=O)(=O)O	QCDIRNSCHKOUIQ-KJEVSKRMSA-N
DG64955	Agn-PC-0NI726	12237796	56516-83-7; AGN-PC-0NI726; CHEMBL1986675; DTXSID50481825; NSC246012; NSC-246012	.	.	Investigative Drug(s)	Investigative	Small molecular drug	246012	.	.	.	.	339.8	C20H18ClNO2	22.3	414	.	24	0	3	2	"InChI=1S/C20H18NO2.ClH/c1-21-12-14-10-18(22-2)19(23-3)11-17(14)16-9-8-13-6-4-5-7-15(13)20(16)21;/h4-12H,1-3H3;1H/q+1;/p-1"	C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC=CC=C4C=C3)OC)OC.[Cl-]	OAQGFZSRPGOVME-UHFFFAOYSA-M
DG64956	Agn-PC-0NI92I	12254669	57164-75-7; AGN-PC-0NI92I; DTXSID00482625; NSC156302; NSC-156302; Methanesulfone-m-anisidine 4'-[(4-methyl-9-acridinyl)amino] hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	156302	.	.	.	.	443.9	C22H22ClN3O3S	88.7	652	.	30	3	6	5	"InChI=1S/C22H21N3O3S.ClH/c1-14-7-6-9-17-21(14)23-18-10-5-4-8-16(18)22(17)24-19-12-11-15(13-20(19)28-2)25-29(3,26)27;/h4-13,25H,1-3H3,(H,23,24);1H"	CC1=CC=CC2=C(C3=CC=CC=C3N=C12)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC.Cl	BYDVHCHTUDOXGJ-UHFFFAOYSA-N
DG64957	"12-Chloro-7,12-dihydro-9-phenylbenzo[a]phenarsazinine"	12283554	"NSC745540; NSC-745540; 12-chloro-7,12-dihydro-9-phenylbenzo[a]phenarsazinine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745540	.	.	.	.	403.7	C22H15AsClN	12	465	.	25	1	1	1	"InChI=1S/C22H15AsClN/c24-23-19-12-10-17(15-6-2-1-3-7-15)14-21(19)25-20-13-11-16-8-4-5-9-18(16)22(20)23/h1-14,25H"	C1=CC=C(C=C1)C2=CC3=C(C=C2)[As](C4=C(N3)C=CC5=CC=CC=C54)Cl	OSEDUNHAXMRVHL-UHFFFAOYSA-N
DG64958	Benzoanthracenone	12300036	benzoanthracenone; SCHEMBL1033982; NSC727350; NSC-727350	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727350	.	.	.	.	230.26	C17H10O	17.1	383	4.4	18	0	1	0	InChI=1S/C17H10O/c18-16-9-8-12-10-11-4-1-2-5-13(11)14-6-3-7-15(16)17(12)14/h1-10H	C1=CC=C2C3=C4C(=CC2=C1)C=CC(=O)C4=CC=C3	OVOJKKZRNREKOV-UHFFFAOYSA-N
DG64959	N-[4-[(5-methyl-3-nitroacridin-9-yl)amino]phenyl]methanesulfonamide;hydrochloride	12323850	59748-54-8; DTXSID30489102; NSC135757; NSC-135757; N-{4-[(5-Methyl-3-nitroacridin-9-yl)amino]phenyl}methanesulfonamide--hydrogen chloride (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135757	.	.	.	.	458.9	C21H19ClN4O4S	125	714	.	31	3	7	4	"InChI=1S/C21H18N4O4S.ClH/c1-13-4-3-5-18-20(13)23-19-12-16(25(26)27)10-11-17(19)21(18)22-14-6-8-15(9-7-14)24-30(2,28)29;/h3-12,24H,1-2H3,(H,22,23);1H"	CC1=C2C(=CC=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NC4=CC=C(C=C4)NS(=O)(=O)C.Cl	JBYWNNRDPKNTBT-UHFFFAOYSA-N
DG64960	"Methanesulfonamide, N-[3-methoxy-4-[(5-methyl-3-nitro-9-acridinyl)amino]phenyl]-, monohydrochloride"	12323851	"59987-97-2; DTXSID00975406; NSC139484; NSC-139484; DS-002281; Methanesulfonamide, N-[3-methoxy-4-[ (5-methyl-3-nitro-9-acridinyl)amino]phenyl]-, monohydrochloride; N-{3-Methoxy-4-[(5-methyl-3-nitroacridin-9(10H)-ylidene)amino]phenyl}methanesulfonamide--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	139484	.	.	.	.	488.9	C22H21ClN4O5S	135	769	.	33	3	8	5	"InChI=1S/C22H20N4O5S.ClH/c1-13-5-4-6-17-21(13)24-19-12-15(26(27)28)8-9-16(19)22(17)23-18-10-7-14(11-20(18)31-2)25-32(3,29)30;/h4-12,25H,1-3H3,(H,23,24);1H"	CC1=C2C(=CC=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NC4=C(C=C(C=C4)NS(=O)(=O)C)OC.Cl	KHPAANXZKKTBNE-UHFFFAOYSA-N
DG64961	7-Acetyl-6-hydroxy-3-methyl-benzofuran-2-carboxylic acid	12334349	7-acetyl-6-hydroxy-3-methyl-benzofuran-2-carboxylic acid; NSC726125; NSC-726125; 52599-92-5; 7-acetyl-6-hydroxy-3-methylbenzofuran carboxylic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726125	.	.	.	.	234.2	C12H10O5	87.7	340	2.4	17	2	5	2	"InChI=1S/C12H10O5/c1-5-7-3-4-8(14)9(6(2)13)11(7)17-10(5)12(15)16/h3-4,14H,1-2H3,(H,15,16)"	CC1=C(OC2=C1C=CC(=C2C(=O)C)O)C(=O)O	AQMCATUUSZRBCB-UHFFFAOYSA-N
DG64962	Indolcarbonsaureester	12402873	"Indolcarbonsaureester; NSC740470; NSC-740470; 1-Benzyl-2-methyl-4,5-dioxo-4,5-dihydro-1H-benzo[g]indole-3-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740470	.	.	.	.	373.4	C23H19NO4	65.4	626	3.6	28	0	4	5	"InChI=1S/C23H19NO4/c1-3-28-23(27)18-14(2)24(13-15-9-5-4-6-10-15)20-16-11-7-8-12-17(16)21(25)22(26)19(18)20/h4-12H,3,13H2,1-2H3"	CCOC(=O)C1=C(N(C2=C1C(=O)C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C	XNGBUJSADZRFNZ-UHFFFAOYSA-N
DG64963	(Z)-N'-(adamantan-1-ylmethyl)-2-chloroacetimidamide hydrochloride	12470660	"22545-59-1; DTXSID50499541; NSC187546; NSC-187546; Ethanimidamide,7)]dec-1-ylmethyl)-, monohydrochloride; Ethanimidamide,7)]dec-1-ylmethyl-, monohydrochloride; (Z)-N'-(adamantan-1-ylmethyl)-2-chloroacetimidamide hydrochloride; (1E)-Chloro-N'-[(tricyclo[3.3.1.1~3,7~]decan-1-yl)methyl]ethanimidamide--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	187546	.	.	.	.	277.23	C13H22Cl2N2	38.4	270	.	17	2	1	3	"InChI=1S/C13H21ClN2.ClH/c14-7-12(15)16-8-13-4-9-1-10(5-13)3-11(2-9)6-13;/h9-11H,1-8H2,(H2,15,16);1H"	C1C2CC3CC1CC(C2)(C3)CN=C(CCl)N.Cl	FHUZLMPCRVNWFE-UHFFFAOYSA-N
DG64964	(2E)-N-(Prop-2-yn-1-yl)-2-[1-(pyridin-2-yl)ethylidene]hydrazine-1-carbothioamide	12563275	71555-59-4; 2-Acetylpyridine 4-(2-propynyl)-3-thiosemicarbazone; DTXSID80502673; ZINC5648291; NSC317909; NSC-317909; (2E)-N-(Prop-2-yn-1-yl)-2-[1-(pyridin-2-yl)ethylidene]hydrazine-1-carbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	317909	.	.	.	.	232.31	C11H12N4S	81.4	315	1.2	16	2	3	3	"InChI=1S/C11H12N4S/c1-3-7-13-11(16)15-14-9(2)10-6-4-5-8-12-10/h1,4-6,8H,7H2,2H3,(H2,13,15,16)/b14-9+"	C/C(=N\\NC(=S)NCC#C)/C1=CC=CC=N1	MWYUXHHRPMWTPV-NTEUORMPSA-N
DG64965	Diethyl 1-phenyl-1-(diphenylmethylamino)-methanephosphonate	12753798	NSC732917; NSC-732917; Diethyl 1-phenyl-1-(diphenylmethylamino)-methanephosphonate; alpha-(Diphenylmethylamino)benzylphosphonic acid diethyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732917	.	.	.	.	409.5	C24H28NO3P	47.6	468	4.6	29	1	4	10	"InChI=1S/C24H28NO3P/c1-3-27-29(26,28-4-2)24(22-18-12-7-13-19-22)25-23(20-14-8-5-9-15-20)21-16-10-6-11-17-21/h5-19,23-25H,3-4H2,1-2H3"	CCOP(=O)(C(C1=CC=CC=C1)NC(C2=CC=CC=C2)C3=CC=CC=C3)OCC	XONOQQSOIRLVGU-UHFFFAOYSA-N
DG64966	"5-(2,4-dichlorophenyl)-5H-imidazo[2,1-a]isoindole"	12908673	"81450-60-4; 5-(2,4-dichlorophenyl)-5H-imidazo[2,1-a]isoindole; SCHEMBL11458537; DTXSID20512695; NSC742550; NSC-742550; 5H-Imidazo[2, 5-(2,4-dichlorophenyl)-; 5H-Imidazo[2,1-a]isoindole,5-(2,4-dichlorophenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742550	.	.	.	.	301.2	C16H10Cl2N2	17.8	364	4.3	20	0	1	1	"InChI=1S/C16H10Cl2N2/c17-10-5-6-13(14(18)9-10)15-11-3-1-2-4-12(11)16-19-7-8-20(15)16/h1-9,15H"	C1=CC=C2C(=C1)C(N3C2=NC=C3)C4=C(C=C(C=C4)Cl)Cl	MTRDZTOQPONGGS-UHFFFAOYSA-N
DG64967	N-[4-[(3-methoxyacridin-9-yl)amino]phenyl]methanesulfonamide	12999166	53250-93-4; DTXSID00967806; N-[4-[(3-methoxyacridin-9-yl)amino]phenyl]methanesulfonamide; NSC143103; NSC-143103; DS-002299; N-{4-[(3-Methoxyacridin-9(10H)-ylidene)amino]phenyl}methanesulfonamide--hydrogen chloride (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143103	.	.	.	.	429.9	C21H20ClN3O3S	88.7	615	.	29	3	6	5	"InChI=1S/C21H19N3O3S.ClH/c1-27-16-11-12-18-20(13-16)23-19-6-4-3-5-17(19)21(18)22-14-7-9-15(10-8-14)24-28(2,25)26;/h3-13,24H,1-2H3,(H,22,23);1H"	COC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NC4=CC=C(C=C4)NS(=O)(=O)C.Cl	IHPUDZSNMQRJEV-UHFFFAOYSA-N
DG64968	N-[4-[(3-chloroacridin-9-yl)amino]phenyl]methanesulfonamide	12999171	53251-02-8; DTXSID60967807; NSC143102; NSC-143102; DS-002300; N-[4-[(3-chloroacridin-9-yl)amino]phenyl]methanesulfonamide; N-{4-[(3-Chloroacridin-9(10H)-ylidene)amino]phenyl}methanesulfonamide--hydrogen chloride (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143102	.	.	.	.	434.3	C20H17Cl2N3O2S	79.5	603	.	28	3	5	4	"InChI=1S/C20H16ClN3O2S.ClH/c1-27(25,26)24-15-9-7-14(8-10-15)22-20-16-4-2-3-5-18(16)23-19-12-13(21)6-11-17(19)20;/h2-12,24H,1H3,(H,22,23);1H"	CS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)Cl.Cl	NXUYLJNWCVNYLN-UHFFFAOYSA-N
DG64969	N-[4-[(3-nitroacridin-9-yl)amino]phenyl]methanesulfonamide;hydrochloride	12999180	53251-04-0; DTXSID20967808; NSC128578; NSC-128578; N-{4-[(3-Nitroacridin-9(10H)-ylidene)amino]phenyl}methanesulfonamide--hydrogen chloride (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128578	.	.	.	.	444.9	C20H17ClN4O4S	125	684	.	30	3	7	4	"InChI=1S/C20H16N4O4S.ClH/c1-29(27,28)23-14-8-6-13(7-9-14)21-20-16-4-2-3-5-18(16)22-19-12-15(24(25)26)10-11-17(19)20;/h2-12,23H,1H3,(H,21,22);1H"	CS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)[N+](=O)[O-].Cl	OVSYEZGTQMCACX-UHFFFAOYSA-N
DG64970	N-[4-[(3-aminoacridin-9-yl)amino]phenyl]methanesulfonamide;hydrochloride	12999264	NSC128579; NSC-128579	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128579	.	.	.	.	414.9	C20H19ClN4O2S	106	600	.	28	4	6	4	"InChI=1S/C20H18N4O2S.ClH/c1-27(25,26)24-15-9-7-14(8-10-15)22-20-16-4-2-3-5-18(16)23-19-12-13(21)6-11-17(19)20;/h2-12,24H,21H2,1H3,(H,22,23);1H"	CS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)N.Cl	OWGULQJEIFFGLM-UHFFFAOYSA-N
DG64971	Kodak CD-3	13076776	"25646-71-3; Kodak CD-3; CD 3; N4-Ethyl-N4-(2-methanesulfonamidoethyl)-2-methyl-1,4-phenylenediamine sesquisulfate monohydrate; CD-III; SCHEMBL4912919; C24H48N6O16S5; Methanesulfonamide, sulfate (2:3); NSC164932; NSC-164932; Methanesulfonamide, N-[2-[(4-amino-3-methylphenyl)ethylamino]ethyl]-,sulfate (2:3); V1312; N-(2-((4-Amino-3-methylphenyl)ethylamino)ethyl)-methanesulfonamidsulfate; n-ethyl-n-(beta-methanesulfonamidoethyl)-3-methyl-4-aminoaniline sulfate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	164932	.	.	.	.	369.5	C12H23N3O6S2	167	421	.	23	4	9	6	"InChI=1S/C12H21N3O2S.H2O4S/c1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11;1-5(2,3)4/h5-6,9,14H,4,7-8,13H2,1-3H3;(H2,1,2,3,4)"	CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.OS(=O)(=O)O	CLJDCQWROXMJAZ-UHFFFAOYSA-N
DG64972	"(8E)-4-(4-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-1H-quinazolin-2-amine"	13170777	NSC763275; NSC-763275	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763275	.	.	.	.	384.3	C21H19Cl2N3	50.4	609	4.3	26	2	1	2	"InChI=1S/C21H19Cl2N3/c22-16-8-4-13(5-9-16)12-15-2-1-3-18-19(25-21(24)26-20(15)18)14-6-10-17(23)11-7-14/h4-12,19H,1-3H2,(H3,24,25,26)/b15-12+"	C1C/C(=C\\C2=CC=C(C=C2)Cl)/C3=C(C1)C(N=C(N3)N)C4=CC=C(C=C4)Cl	YURRPQLWNIWEOJ-NTCAYCPXSA-N
DG64973	"(8E)-4-(3,4-dimethoxyphenyl)-8-[(3,4-dimethoxyphenyl)methylidene]-4,5,6,7-tetrahydro-1H-quinazolin-2-amine"	13170781	NSC763277; NSC-763277	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763277	.	.	.	.	435.5	C25H29N3O4	87.3	750	2.9	32	2	5	6	"InChI=1S/C25H29N3O4/c1-29-19-10-8-15(13-21(19)31-3)12-16-6-5-7-18-23(16)27-25(26)28-24(18)17-9-11-20(30-2)22(14-17)32-4/h8-14,24H,5-7H2,1-4H3,(H3,26,27,28)/b16-12+"	COC1=C(C=C(C=C1)/C=C/2\\CCCC3=C2NC(=NC3C4=CC(=C(C=C4)OC)OC)N)OC	FVHHMVKWHZUZRD-FOWTUZBSSA-N
DG64974	diethyl 2-[(2-phenyl-1H-indol-3-yl)methylidene]propanedioate	13266383	CHEMBL3617169; NSC749024; NSC-749024	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749024	.	.	.	.	363.4	C22H21NO4	68.4	533	4.8	27	1	4	8	"InChI=1S/C22H21NO4/c1-3-26-21(24)18(22(25)27-4-2)14-17-16-12-8-9-13-19(16)23-20(17)15-10-6-5-7-11-15/h5-14,23H,3-4H2,1-2H3"	CCOC(=O)C(=CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)C(=O)OCC	AXSHIOSWRCGLLB-UHFFFAOYSA-N
DG64975	{1-[(3-Chlorophenyl)methyl]-1H-indol-3-yl}methanol	13288729	"Oncrasin-72; 92407-90-4; NSC-743380; 1-[(3-Chlorophenyl) methyl]-1H-indole-3-methanol; {1-[(3-Chlorophenyl)methyl]-1H-indol-3-yl}methanol; [1-(3-Chloro-benzyl)-1H-indol-3-yl]-methanol; SCHEMBL4357045; CHEMBL1775135; DTXSID90534900; NSC743380; ZINC71316087; AKOS015744705; [1-[(3-chlorophenyl)methyl]indol-3-yl]methanol; 1H-Indole-3-methanol, 1-[(3-chlorophenyl)methyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743380	.	.	.	.	271.74	C16H14ClNO	25.2	299	3.3	19	1	1	3	"InChI=1S/C16H14ClNO/c17-14-5-3-4-12(8-14)9-18-10-13(11-19)15-6-1-2-7-16(15)18/h1-8,10,19H,9,11H2"	C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)Cl)CO	LPIARNOLFFSUSO-UHFFFAOYSA-N
DG64976	(E)-1-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one	13432181	NSC743863; NSC-743863	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743863	.	.	.	.	414.9	C25H19ClN2O2	51.2	582	6.1	30	1	4	6	"InChI=1S/C25H19ClN2O2/c1-30-21-10-2-17(3-11-21)4-13-25(29)18-5-8-20(9-6-18)28-23-14-15-27-24-16-19(26)7-12-22(23)24/h2-16H,1H3,(H,27,28)/b13-4+"	COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl	PVQLLQJHKXURGF-YIXHJXPBSA-N
DG64977	p-Benzoyloxybenzylchloride	13486522	p-benzoyloxybenzylchloride; SCHEMBL11857748; NSC788822; NSC-788822	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788822	.	.	.	.	246.69	C14H11ClO2	26.3	241	4	17	0	2	4	"InChI=1S/C14H11ClO2/c15-10-11-6-8-13(9-7-11)17-14(16)12-4-2-1-3-5-12/h1-9H,10H2"	C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCl	NFJDWPJJWRNWNF-UHFFFAOYSA-N
DG64978	1-{[2-(Diethylamino)ethyl]amino}-7-hydroxy-4-methyl-9H-thioxanthen-9-one--hydrogen iodide (1/1)	13504750	MLS002702959; 80568-65-6; CHEMBL1973979; DTXSID10542481; NSC317921; NSC-317921; 1-{[2-(Diethylamino)ethyl]amino}-7-hydroxy-4-methyl-9H-thioxanthen-9-one--hydrogen iodide (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	317921	.	.	.	.	484.4	C20H25IN2O2S	77.9	457	.	26	3	5	6	"InChI=1S/C20H24N2O2S.HI/c1-4-22(5-2)11-10-21-16-8-6-13(3)20-18(16)19(24)15-12-14(23)7-9-17(15)25-20;/h6-9,12,21,23H,4-5,10-11H2,1-3H3;1H"	CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=C(C=C3)O.I	XNQPDXXSAUJASE-UHFFFAOYSA-N
DG64979	"9H-Thioxanthen-9-one,monohydriodide"	13504751	"NSC317003; 80568-29-2; CHEMBL1968826; DTXSID70542482; 9H-Thioxanthen-9-one,monohydriodide; NSC-317003; 1-{[2-(Dimethylamino)ethyl]amino}-7-hydroxy-4-methyl-9H-thioxanthen-9-one--hydrogen iodide (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	317003	.	.	.	.	456.3	C18H21IN2O2S	77.9	431	.	24	3	5	4	"InChI=1S/C18H20N2O2S.HI/c1-11-4-6-14(19-8-9-20(2)3)16-17(22)13-10-12(21)5-7-15(13)23-18(11)16;/h4-7,10,19,21H,8-9H2,1-3H3;1H"	CC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(S2)C=CC(=C3)O.I	WJOQXEPGKLCGCC-UHFFFAOYSA-N
DG64980	Ortho-topolin riboside	13506406	MLS002702505; ortho-topolin riboside; CHEMBL1698341; SCHEMBL20626411; NSC736740; NSC-736740; SMR001566065	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736740	.	.	.	.	373.4	C17H19N5O5	146	502	0.8	27	5	9	5	"InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-3-1-2-4-10(9)24/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)"	C1=CC=C(C(=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O)O	URVCVGNFSZHAOA-UHFFFAOYSA-N
DG64981	"methyl 11H-pyrido[2,3-a]carbazole-5-carboxylate"	13776879	NSC740203; NSC-740203	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740203	.	.	.	.	276.29	C17H12N2O2	55	414	3.5	21	1	3	2	"InChI=1S/C17H12N2O2/c1-21-17(20)13-9-12-10-5-2-3-7-14(10)19-16(12)15-11(13)6-4-8-18-15/h2-9,19H,1H3"	COC(=O)C1=C2C=CC=NC2=C3C(=C1)C4=CC=CC=C4N3	DMLHLXHSGXDLEI-UHFFFAOYSA-N
DG64982	3-(Dimethylamino)-7-(methylamino)phenothiazin-5-ium bromide	13797451	7508-40-9; 3-(Dimethylamino)-7-(methylamino)phenothiazin-5-ium bromide; Azure B bromide; DTXSID80996573; NSC16166; NSC-16166	.	.	Investigative Drug(s)	Investigative	Small molecular drug	16166	.	.	.	.	350.3	C15H16BrN3S	52.7	498	.	20	1	4	1	"InChI=1S/C15H15N3S.BrH/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;/h4-9H,1-3H3;1H"	CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Br-]	YZBBIPYXARUWAV-UHFFFAOYSA-N
DG64983	"5,7-dimethyl-3H-indolizin-4-ium;perchlorate"	13860657	CHEMBL1975723; NSC622503; NSC-622503	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622503	.	.	.	.	245.66	C10H12ClNO4	78.2	270	.	16	0	4	0	"InChI=1S/C10H12N.ClHO4/c1-8-6-9(2)11-5-3-4-10(11)7-8;2-1(3,4)5/h3-4,6-7H,5H2,1-2H3;(H,2,3,4,5)/q+1;/p-1"	CC1=CC(=[N+]2CC=CC2=C1)C.[O-]Cl(=O)(=O)=O	XTWYJDCHIYMWNN-UHFFFAOYSA-M
DG64984	"2-Propen-1-one,4,5-trimethoxyphenyl)-, hydrochloride"	13958694	"MLS002701712; CHEMBL1986461; NSC382005; NSC-382005; 2-Propen-1-one,4,5- trimethoxyphenyl)-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382005	.	.	.	.	315.79	C15H22ClNO4	48	343	.	21	1	5	7	"InChI=1S/C15H21NO4.ClH/c1-10(9-16(2)3)15(17)11-7-13(19-5)14(20-6)8-12(11)18-4;/h7-8H,1,9H2,2-6H3;1H"	CN(C)CC(=C)C(=O)C1=CC(=C(C=C1OC)OC)OC.Cl	FXRGJPIDIRVHAK-UHFFFAOYSA-N
DG64985	2-[(Dimethylamino)methyl]-1-(2-methylphenyl)prop-2-en-1-one;hydrochloride	13958695	CHEMBL1967573; NSC382002; NSC-382002	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382002	.	.	.	.	239.74	C13H18ClNO	20.3	245	.	16	1	2	4	"InChI=1S/C13H17NO.ClH/c1-10-7-5-6-8-12(10)13(15)11(2)9-14(3)4;/h5-8H,2,9H2,1,3-4H3;1H"	CC1=CC=CC=C1C(=O)C(=C)CN(C)C.Cl	WXFRSORPGACNGW-UHFFFAOYSA-N
DG64986	5-ethyl-7-methyl-3H-indolizin-4-ium;perchlorate	14114373	CHEMBL1992395; NSC622505; NSC-622505	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622505	.	.	.	.	259.68	C11H14ClNO4	78.2	281	.	17	0	4	1	"InChI=1S/C11H14N.ClHO4/c1-3-10-7-9(2)8-11-5-4-6-12(10)11;2-1(3,4)5/h4-5,7-8H,3,6H2,1-2H3;(H,2,3,4,5)/q+1;/p-1"	CCC1=CC(=CC2=[N+]1CC=C2)C.[O-]Cl(=O)(=O)=O	NPJUHTWTKICRPS-UHFFFAOYSA-M
DG64987	4-Carbamoyl-1-dodecylpyridin-1-ium bromide	14143619	83350-56-5; 4-carbamoyl-1-dodecylpyridin-1-ium bromide; 1-Dodecylpyridine-4-carboxamide; DTXSID20556498; NSC141257; AKOS024429240; MCULE-6829413264; NSC-141257; DS-002828	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141257	.	.	.	.	371.4	C18H31BrN2O	47	260	.	22	1	2	12	"InChI=1S/C18H30N2O.BrH/c1-2-3-4-5-6-7-8-9-10-11-14-20-15-12-17(13-16-20)18(19)21;/h12-13,15-16H,2-11,14H2,1H3,(H-,19,21);1H"	CCCCCCCCCCCC[N+]1=CC=C(C=C1)C(=O)N.[Br-]	HTJHOMQXYMEFFL-UHFFFAOYSA-N
DG64988	Basic violet 2	14454445	"BASIC VIOLET 2; New fuchsin; 3248-91-7; Magenta III; New fuchsine; Neofuchsine; New magenta; C.I. Basic Violet 2; Fuchsine SBP; Trimethyl fuchsin; Magenta ABN; Remacryl magenta B; Astrazon fuchsine GN; Calcozine New Fuchsine; New fuchsine G crystal; CHEBI:87671; UNII-A051F48W36; 4-[(4-amino-3-methylphenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline;hydrochloride; C.I. 42520; 4,4'-((4-Imino-3-methylcyclohexa-2,5-dien-1-ylidene)methylene)bis(2-methylaniline) hydrochloride; A051F48W36; new-fuchsin; 4,4'-[(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methylene]bis(2-methylaniline) hydrochloride; MFCD00012567; C.I. Basic Violet 2, monohydrochloride; Benzenamine, 4,4'-[(4-imino-3-methyl-2,5-cyclohexadien-1-ylidene)methylene]bis[2-methyl-, hydrochloride (1:1); SCHEMBL23591; C22H23N3.HCl; CHEMBL1979779; DTXSID80879817; NSC9858; NSC-9858; 6641AF; AKOS025116938; DB-048225; FT-0634747; Q7016415; 4-[bis(4-amino-3-methylphenyl)methylidene]-2-methylcyclohexa-2,5-dien-1-iminium chloride; 4,4'-((4-imino-3-methylcyclohexa-2,5-dienylidene)methylene)bis(2-methylaniline) hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9858	.	.	.	.	365.9	C22H24ClN3	75.9	585	.	26	4	3	2	"InChI=1S/C22H23N3.ClH/c1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18;/h4-12,23H,24-25H2,1-3H3;1H"	CC1=CC(=C(C2=CC(=C(C=C2)N)C)C3=CC(=C(C=C3)N)C)C=CC1=N.Cl	IPSIPYMEZZPCPY-UHFFFAOYSA-N
DG64989	"5-Methyl-9H-[1,3]dioxolo[4,5-j]phenanthridin-5-ium chloride"	14526905	"65367-81-9; CHEMBL2323165; DTXSID70561274; NSC271952; NSC-271952; [1,5-j]phenanthridinium, 5-methyl-, chloride; 5-Methyl-9H-[1,3]dioxolo[4,5-j]phenanthridin-5-ium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	271952	.	.	.	.	273.71	C15H12ClNO2	22.3	322	.	19	0	3	0	"InChI=1S/C15H12NO2.ClH/c1-16-8-10-6-14-15(18-9-17-14)7-12(10)11-4-2-3-5-13(11)16;/h2-8H,9H2,1H3;1H/q+1;/p-1"	C[N+]1=CC2=CC3=C(C=C2C4=CC=CC=C41)OCO3.[Cl-]	OOPDPMYYWQANBR-UHFFFAOYSA-M
DG64990	"(E)-1-(3,4-dichlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one;hydrochloride"	14532213	CHEMBL1991262; NSC378881; NSC-378881	.	.	Investigative Drug(s)	Investigative	Small molecular drug	378881	.	.	.	.	322.7	C14H18Cl3NO	20.3	304	.	19	1	2	5	"InChI=1S/C14H17Cl2NO.ClH/c1-10(9-17(2)3)14(18)7-5-11-4-6-12(15)13(16)8-11;/h4-8,10H,9H2,1-3H3;1H/b7-5+;"	CC(CN(C)C)C(=O)/C=C/C1=CC(=C(C=C1)Cl)Cl.Cl	QILMSWIUTNOIMW-GZOLSCHFSA-N
DG64991	"3,4-bis-(4-methoxyphenyl)-2(5H)-furanone"	14904973	"NSC727207; NSC-727207; 3,4-bis-(4-methoxyphenyl)-2(5H)-furanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727207	.	.	.	.	296.3	C18H16O4	44.8	426	3	22	0	4	4	"InChI=1S/C18H16O4/c1-20-14-7-3-12(4-8-14)16-11-22-18(19)17(16)13-5-9-15(21-2)10-6-13/h3-10H,11H2,1-2H3"	COC1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=C(C=C3)OC	IJFFKYIZAHUKCA-UHFFFAOYSA-N
DG64992	4-[[5-Methoxy-2-oxo-1H-indol-3(2H)-ylidene]methyl]pyridine 1-oxide	14952715	NSC734194; NSC-734194; note for the structure: it's a N-oxide derivative; 4-[[5-Methoxy-2-oxo-1H-indol-3(2H)-ylidene]methyl]pyridine 1-oxide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734194	.	.	.	.	268.27	C15H12N2O3	62.1	672	1.1	20	1	4	2	"InChI=1S/C15H12N2O3/c1-20-11-2-3-14-12(9-11)13(15(18)16-14)8-10-4-6-17(19)7-5-10/h2-9,19H,1H3"	COC1=CC2=C(C(=O)N=C2C=C1)C=C3C=CN(C=C3)O	PZAOKUHBYRWKSU-UHFFFAOYSA-N
DG64993	Methoxybrassenin B	15145690	Methoxybrassenin B; 142449-75-0; DTXSID90569030; CHEBI:174782; NSC732256; NSC 732256; NSC-732256; Dimethyl (1-methoxy-1H-indole-3-carbonyl)carbonodithioimidate; N-[bis(methylsulanyl)methylidene]-1-methoxyindole-3-carboxamide; N-[bis(methylsulfanyl)methylidene]-1-methoxy-1H-indole-3-carboxamide; Methoxybrassenin B 1-Methoxy-1H-indole-3-carboxylic acid bis-methylsulfanyl-methyleneamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732256	.	.	.	.	294.4	C13H14N2O2S2	94.2	357	3.8	19	0	4	4	"InChI=1S/C13H14N2O2S2/c1-17-15-8-10(9-6-4-5-7-11(9)15)12(16)14-13(18-2)19-3/h4-8H,1-3H3"	CON1C=C(C2=CC=CC=C21)C(=O)N=C(SC)SC	NFGCTENDKLNJTI-UHFFFAOYSA-N
DG64994	"Methyl 5-(methylamino)-2,2-diphenyl-2H,4H-1,3-dithiine-6-carboxylate"	15161940	"139101-76-1; DTXSID00569344; NSC733717; NSC-733717; Methyl 5-(methylamino)-2,2-diphenyl-2H,4H-1,3-dithiine-6-carboxylate; 5-Methylamino-2,3]dithiine-4-carboxylic acid methyl ester 4H-1,3-Dithiin-6-carboxylic acid, 5-(methylamino)-2,2-diphenyl-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733717	.	.	.	.	357.5	C19H19NO2S2	88.9	462	5	24	1	5	5	"InChI=1S/C19H19NO2S2/c1-20-16-13-23-19(14-9-5-3-6-10-14,15-11-7-4-8-12-15)24-17(16)18(21)22-2/h3-12,20H,13H2,1-2H3"	CNC1=C(SC(SC1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC	WUJITHYLOUDZIM-UHFFFAOYSA-N
DG64995	"2,3H)pyrimido dimethyltetrathiafulvalene,tetrabutylammonium salt"	15190630	"CHEMBL1993560; AKOS024350471; NSC-658467; 2,3H)pyrimido dimethyltetrathiafulvalene,tetrabutylammonium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658467	.	.	.	.	557.9	C26H43N3O2S4	166	689	.	35	1	7	12	"InChI=1S/C16H36N.C10H8N2O2S4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-4(2)16-8(15-3)9-17-5-6(13)11-10(14)12-7(5)18-9/h5-16H2,1-4H3;1-2H3,(H2,11,12,13,14)/q+1;/p-1"	CCCC[N+](CCCC)(CCCC)CCCC.CC1=C(SC(=C2SC3=C(S2)N=C(NC3=O)[O-])S1)C	AGYNEWFBXMLYFX-UHFFFAOYSA-M
DG64996	5-chloro-2[(E)-2-(4-nitrophenyl)vinyl]-1H-benzimidazole	15373173	NSC736042; NSC-736042; 5-chloro-2[(E)-2-(4-nitrophenyl)vinyl]-1H-benzimidazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736042	.	.	.	.	299.71	C15H10ClN3O2	74.5	404	4.7	21	1	3	2	"InChI=1S/C15H10ClN3O2/c16-11-4-7-13-14(9-11)18-15(17-13)8-3-10-1-5-12(6-2-10)19(20)21/h1-9H,(H,17,18)/b8-3+"	C1=CC(=CC=C1/C=C/C2=NC3=C(N2)C=C(C=C3)Cl)[N+](=O)[O-]	NVZVMJRWSLHMPR-FPYGCLRLSA-N
DG64997	1-Methyl-5-(1-hexynyl)-6-iodouracil	15476976	NSC743561; NSC-743561; 1-Methyl-5-(1-hexynyl)-6-iodouracil	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743561	.	.	.	.	332.14	C11H13IN2O2	49.4	414	2.2	16	1	2	3	"InChI=1S/C11H13IN2O2/c1-3-4-5-6-7-8-9(12)14(2)11(16)13-10(8)15/h3-5H2,1-2H3,(H,13,15,16)"	CCCCC#CC1=C(N(C(=O)NC1=O)C)I	FORKAPQDIYLFDI-UHFFFAOYSA-N
DG64998	"9-(3,4,5-Trimethoxyphenyl)-5-(2-hydroxyethyl)-5,9-dihydro-1,3-dioxolo[4,5-g]furo[3,4-b]quinoline-8(6H)-one"	15516367	"SCHEMBL7142202; CHEMBL3338342; NSC750210; NSC-750210; 9-(3,4,5-Trimethoxyphenyl)-5-(2-hydroxyethyl)-5,9-dihydro-1,3-dioxolo[4,5-g]furo[3,4-b]quinoline-8(6H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750210	.	.	.	.	441.4	C23H23NO8	95.9	730	2.1	32	1	9	6	"InChI=1S/C23H23NO8/c1-27-18-6-12(7-19(28-2)22(18)29-3)20-13-8-16-17(32-11-31-16)9-14(13)24(4-5-25)15-10-30-23(26)21(15)20/h6-9,20,25H,4-5,10-11H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCO4	LRYQORFWXVCXMN-UHFFFAOYSA-N
DG64999	"3,6-Diamino-10-methylacridinium chloride hydrochloride"	15558347	"3,6-Diamino-10-methylacridinium chloride hydrochloride; 10597-46-3; Trypaflavine HCl; 3,6-Diamino-10-methylacridinium chloride monohydrochloride; CHEBI:74727; UNII-0596YAL51J; 10-methylacridin-10-ium-3,6-diamine;chloride;hydrochloride; MLS002207307; 0596YAL51J; SMR001306812; trypaflavine.HCl; EINECS 234-213-7; 10-methylacridine-3,6-diamine, chloride, chloride; SCHEMBL865113; CHEMBL1721855; DTXSID00909842; NSC163949; AKOS024275423; MCULE-5205816732; NSC-163949; 3,6-diamino-10-methylacridinium chloride.HCl; 3-amino-6-ammonio-10-methylacridinium dichloride; Q27144860; UNII-1S73VW819C component OEGQPXPIKZELFM-UHFFFAOYSA-N; Acridinium,6-diamino-10-methyl-, chloride, monohydrochloride; 3,6-Diamino-10-methylacridin-10-ium chloride--hydrogen chloride (1/1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163949	.	.	.	.	296.2	C14H15Cl2N3	55.9	255	.	19	3	3	0	"InChI=1S/C14H13N3.2ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;;/h2-8H,1H3,(H3,15,16);2*1H"	C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.Cl.[Cl-]	OEGQPXPIKZELFM-UHFFFAOYSA-N
DG65000	"Naphtho[1',2':4,5]imidazo[1,2-a]pyrimidine-5,6-dione"	15760733	"Naphtho[1',2':4,5]imidazo[1,2-a]pyrimidine-5,6-dione; 109505-90-0; CHEMBL3763954; NSC795135; NSC-795135; Naphth[1',2':4,5]imidazo[1,2-a]pyrimidine-5,6-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795135	.	.	.	.	249.22	C14H7N3O2	64.3	425	2.2	19	0	4	0	InChI=1S/C14H7N3O2/c18-12-9-5-2-1-4-8(9)10-11(13(12)19)17-7-3-6-15-14(17)16-10/h1-7H	C1=CC=C2C(=C1)C3=C(C(=O)C2=O)N4C=CC=NC4=N3	GKTWMKZOHJRQNH-UHFFFAOYSA-N
DG65001	"9-Methylnaphtho[1',2':4,5]imidazo[1,2-a]pyridine-5,6-dione"	15813981	"192653-86-4; SCHEMBL8465101; CHEMBL3765007; DTXSID30578525; NSC742543; NSC-742543; 9-Methylnaphtho[1',2':4,5]imidazo[1,2-a]pyridine-5,6-dione; Naphth[1',5]imidazo[1,2-a]pyridine-5,6-dione, 9-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742543	.	.	.	.	262.26	C16H10N2O2	51.4	450	3.2	20	0	3	0	"InChI=1S/C16H10N2O2/c1-9-6-7-12-17-13-10-4-2-3-5-11(10)15(19)16(20)14(13)18(12)8-9/h2-8H,1H3"	CC1=CN2C(=NC3=C2C(=O)C(=O)C4=CC=CC=C43)C=C1	CKBXCZFOKKJSQY-UHFFFAOYSA-N
DG65002	NSC751642	15867606	"Triptolide N,N-dimethylacetate, (3bS,4aS,5aR,6R,6aS,7aS,7bS,8aS,8bS)-6a-isopropyl-8b-methyl-1-oxo-1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodecahydrotrisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-6-yl N,N-dimethylacetate; NSC751642; NSC-751642; Triptolide N,N-dimethylacetate, (3bS,4aS,5aR,6R,6aS,7aS,7bS,8aS,8bS)-6a-isopropyl-8b-methyl-1-oxo-1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodecahydrotrisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-6-yl N,N-dimethylacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751642	.	.	.	.	445.5	C24H31NO7	93.4	991	0.9	32	0	8	5	"InChI=1S/C24H31NO7/c1-11(2)22-17(31-22)18-24(32-18)21(3)7-6-12-13(10-28-19(12)27)14(21)8-15-23(24,30-15)20(22)29-16(26)9-25(4)5/h11,14-15,17-18,20H,6-10H2,1-5H3/t14-,15-,17-,18-,20+,21-,22-,23+,24+/m0/s1"	CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2OC(=O)CN(C)C)O7)COC6=O)C	NFUVUOYLXYYFGJ-NJXSKGHCSA-N
DG65003	2-[3-(Trifluoromethyl)phenoxy]-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine	15872407	SB-253226; CHEMBL275666; 2-[3-(Trifluoromethyl)phenoxy]-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine; SCHEMBL4916548; HMS3303C23; HMS3305A11; BDBM50099335; NSC756432; NSC-756432; NCGC00242205-01; AB01092366-01; 4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-2-(3-trifluoromethyl-phenoxy)-pyrimidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756432	.	.	.	.	483.5	C25H21F4N5O	64.9	671	4.5	35	1	9	5	"InChI=1S/C25H21F4N5O/c26-18-6-4-16(5-7-18)22-23(34(15-32-22)19-8-11-30-12-9-19)21-10-13-31-24(33-21)35-20-3-1-2-17(14-20)25(27,28)29/h1-7,10,13-15,19,30H,8-9,11-12H2"	C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=CC(=C4)C(F)(F)F)C5=CC=C(C=C5)F	INPGJMSTKSQOMI-UHFFFAOYSA-N
DG65004	"2-[2-[4-[(2,4-Diaminopteridin-6-yl)methylamino]phenyl]-2-oxoethyl]pentanedioic acid"	15950455	SCHEMBL11986728; NSC747292; NSC-747292	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747292	.	.	.	.	439.4	C20H21N7O5	207	673	-0.4	32	5	12	10	"InChI=1S/C20H21N7O5/c21-17-16-18(27-20(22)26-17)24-9-13(25-16)8-23-12-4-1-10(2-5-12)14(28)7-11(19(31)32)3-6-15(29)30/h1-2,4-5,9,11,23H,3,6-8H2,(H,29,30)(H,31,32)(H4,21,22,24,26,27)"	C1=CC(=CC=C1C(=O)CC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N	LRFMLHUPQULXRR-UHFFFAOYSA-N
DG65005	Diacetoxy-[[phenyl(2-pyridyl)methylene]-(2-pyridylamino)-$l^{5}-azanyl]manganese	15954129	"NSC625538; Manganese, bis(acetato-O)[(phenyl-2-pyridinyl-methanone(2-pyridinylhydrazonato)]-; diacetoxy-[[phenyl(2-pyridyl)methylene]-(2-pyridylamino)-$l^{5}-azanyl]manganese; Methanone, phenyl-2-pyridinyl-, 2-pyridinylhydrazone, manganese diacetate complex"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625538	.	.	.	.	449.4	C21H22MnN4O4	125	501	.	30	3	8	4	"InChI=1S/C17H14N4.2C2H4O2.Mn/c1-2-8-14(9-3-1)17(15-10-4-6-12-18-15)21-20-16-11-5-7-13-19-16;2*1-2(3)4;/h1-13H,(H,19,20);2*1H3,(H,3,4);/b21-17+;;;"	CC(=O)O.CC(=O)O.C1=CC=C(C=C1)/C(=N\\NC2=CC=CC=N2)/C3=CC=CC=N3.[Mn]	GZMPHTZMPRLCFL-XQKVXRCISA-N
DG65006	iron(1+); N-[(E)-1-pyrazin-2-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide	15954130	"NSC633272; 3-Azabicyclo[3.2.2]nonane-3-carbothioic acid, [(1E)-1-pyrazinylethylidene]hydrazide, iron(1+) salt; iron(1+); N-[(E)-1-pyrazin-2-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633272	.	.	.	.	358.3	C15H20FeN5S-	54.7	400	.	22	0	5	3	"InChI=1S/C15H21N5S.Fe/c1-11(14-8-16-6-7-17-14)18-19-15(21)20-9-12-2-3-13(10-20)5-4-12;/h6-8,12-13H,2-5,9-10H2,1H3,(H,19,21);/p-1/b18-11+;"	C/C(=N\\N=C(\\N1CC2CCC(C1)CC2)/[S-])/C3=NC=CN=C3.[Fe]	QQEPBFYCOMTQLH-NWBUNABESA-M
DG65007	Antineoplastic-633273	15954131	"Antineoplastic-633273; NSC633273; cuprous N-[(E)-1-pyrazin-2-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide; Copper (I), N'-[(1E)-1-pyrazin-2-ylethylidene]-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633273	.	.	.	.	366	C15H20CuN5S	54.7	400	.	22	0	5	3	"InChI=1S/C15H21N5S.Cu/c1-11(14-8-16-6-7-17-14)18-19-15(21)20-9-12-2-3-13(10-20)5-4-12;/h6-8,12-13H,2-5,9-10H2,1H3,(H,19,21);/q;+1/p-1/b18-11+;"	C/C(=N\\N=C(\\N1CC2CCC(C1)CC2)/[S-])/C3=NC=CN=C3.[Cu+]	JOTOTAWPPQCPPF-NWBUNABESA-M
DG65008	NSC731094	15954458	"1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[[(3Z)-2-oxo-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]imino-indolin-1-yl]methyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid; CHEMBL210891; NSC731094; NSC-731094; 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[[(3Z)-2-oxo-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]imino-indolin-1-yl]methyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid; 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-[4-[[(3Z)-2,3-dihydro-2-oxo-3-[[4-[(2-pyrimidinylamino)sulfonyl]phenyl]imino]-1H-indol-1-yl]methyl]-3-methyl-1-piperazinyl]-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731094	.	.	.	.	766.8	C38H35FN8O7S	186	1640	2.4	55	2	15	10	"InChI=1S/C38H35FN8O7S/c1-22-19-44(33-29(39)18-27-32(35(33)54-2)46(24-10-11-24)20-28(34(27)48)37(50)51)16-17-45(22)21-47-30-7-4-3-6-26(30)31(36(47)49)42-23-8-12-25(13-9-23)55(52,53)43-38-40-14-5-15-41-38/h3-9,12-15,18,20,22,24H,10-11,16-17,19,21H2,1-2H3,(H,50,51)(H,40,41,43)"	CC1CN(CCN1CN2C3=CC=CC=C3C(=NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)C2=O)C6=C(C=C7C(=C6OC)N(C=C(C7=O)C(=O)O)C8CC8)F	FIZGTEBBXYXZCS-UHFFFAOYSA-N
DG65009	"N'-(4-isopropyl-1,1-dioxo-1$l^{6},2,4-benzothiadiazin-3-yl)pyrazine-2-carbohydrazide"	15955468	"NSC737736; NSC-737736; N'-(4-Isopropyl-1,2,4-benzothiadiazin-3-yl)p yrazine-2-carbohydrazide; N'-(4-isopropyl-1,1-dioxo-1$l^{6},2,4-benzothiadiazin-3-yl)pyrazine-2-carbohydrazide; 2-Pyrazinecarboxylic acid, 2-[4-(1-methylethyl)-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl]hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737736	.	.	.	.	360.4	C15H16N6O3S	125	630	0.6	25	2	6	4	"InChI=1S/C15H16N6O3S/c1-10(2)21-12-5-3-4-6-13(12)25(23,24)20-15(21)19-18-14(22)11-9-16-7-8-17-11/h3-10H,1-2H3,(H,18,22)(H,19,20)"	CC(C)N1C2=CC=CC=C2S(=O)(=O)N=C1NNC(=O)C3=NC=CN=C3	KVPLUEWPTHKLFB-UHFFFAOYSA-N
DG65010	"Phenazine, 1,6-dimethoxy-, 5-oxide"	15957526	"Phenazine, 1,6-dimethoxy-, 5-oxide; 13925-10-5; NSC742307; 1,6-dimethoxyphenazine 5-oxide; CHEMBL4207895; SCHEMBL11709110; DTXSID20160978; 1,6-Dimethoxyphenazine mono-N-oxide; NSC 742307; NSC-742307; 1,6-dimethoxy-5-oxido-phenazin-5-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742307	.	.	.	.	256.26	C14H12N2O3	56.8	315	1.6	19	0	4	2	"InChI=1S/C14H12N2O3/c1-18-11-7-4-6-10-13(11)15-9-5-3-8-12(19-2)14(9)16(10)17/h3-8H,1-2H3"	COC1=CC=CC2=C1[N+](=C3C=CC=C(C3=N2)OC)[O-]	YJPUKVVGBLRGID-UHFFFAOYSA-N
DG65011	"Phenazine, 1,6-dimethoxy-, 5,10-dioxide"	15957527	"Phenazine, 1,6-dimethoxy-, 5,10-dioxide; 13925-11-6; NSC742306; CHEMBL4217981; SCHEMBL11716403; DTXSID80160979; 1,6-Dimethoxyphenanzine di-N-oxide; NSC 742306; NSC-742306; 1,6-dimethoxy-5,10-dioxido-phenazine-5,10-diium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742306	.	.	.	.	272.26	C14H12N2O4	64.8	345	1.2	20	0	5	2	"InChI=1S/C14H12N2O4/c1-19-11-7-3-5-9-13(11)15(17)10-6-4-8-12(20-2)14(10)16(9)18/h3-8H,1-2H3"	COC1=CC=CC2=C1N(C3=C([N+]2=O)C(=CC=C3)OC)[O-]	OGNXLFBCXQYFDB-UHFFFAOYSA-N
DG65012	aziridin-1-yl-[4-[[(E)-[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]methyl]-1-piperidyl]methanone	15957528	"NSC742308; NSC-742308; 1-Piperidinecarboxamide,2-ethanediyl)-4-[[[10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2(10H)-phenazinylidene]amino]methyl]-; 4-Piperidinemethanamine, 1-(1-aziridinylcarbonyl)-N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2(10H)-phenazinylidene]-; aziridin-1-yl-[4-[[(E)-[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]methyl]-1-piperidyl]methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742308	.	.	.	.	597.5	C33H30Cl2N6O	63.3	1120	6.3	42	1	5	5	"InChI=1S/C33H30Cl2N6O/c34-23-5-9-25(10-6-23)37-29-19-30-32(20-28(29)36-21-22-13-15-39(16-14-22)33(42)40-17-18-40)41(26-11-7-24(35)8-12-26)31-4-2-1-3-27(31)38-30/h1-12,19-20,22,37H,13-18,21H2"	C1CN(CCC1CN=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)Cl)C=C2NC6=CC=C(C=C6)Cl)C(=O)N7CC7	VCTVVYZBLQLKGT-UHFFFAOYSA-N
DG65013	ethyl 2-[(5-ethoxycarbonyl-3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole-5-carboxylate	15981429	NSC756662; NSC-756662; 666752-22-3	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756662	.	.	.	.	418.5	C25H26N2O4	84.2	601	5.3	31	2	4	8	"InChI=1S/C25H26N2O4/c1-5-30-24(28)16-7-9-20-18(11-16)14(3)22(26-20)13-23-15(4)19-12-17(25(29)31-6-2)8-10-21(19)27-23/h7-12,26-27H,5-6,13H2,1-4H3"	CCOC(=O)C1=CC2=C(C=C1)NC(=C2C)CC3=C(C4=C(N3)C=CC(=C4)C(=O)OCC)C	IWFCPFKXQUHXBU-UHFFFAOYSA-N
DG65014	NSC754354	15983966	"(R)-5-(6-((4-methylpiperazin-1-yl)methyl)-1H-benzo[d]imidazol-1-yl)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxamide; GSK461364; 929095-18-1; GSK-461364; GSK 461364; (R)-5-(6-((4-methylpiperazin-1-yl)methyl)-1H-benzo[d]imidazol-1-yl)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxamide; GSK-461364A; UNII-8QO27TK6Q4; GSK461364A; 5-[6-[(4-Methyl-1-piperazinyl)methyl]-1h-benzimidazol-1-yl]-3-[(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy]-2-thiophenecarboxamide; 8QO27TK6Q4; CHEMBL1908394; 2-Thiophenecarboxamide, 5-(6-((4-methyl-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-3-((1R)-1-(2-(trifluoromethyl)phenyl)ethoxy)-; 2-THIOPHENECARBOXAMIDE, 5-[6-[(4-METHYL-1-PIPERAZINYL)METHYL]-1H-BENZIMIDAZOL-1-YL]-3-[(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY]-; 5-[6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide; SCHEMBL310080; GTPL5684; C27H28F3N5O2S; CHEBI:91333; GSK41364A; DTXSID60239197; BCP01720; EX-A1728; BDBM50355500; MFCD12755419; NSC754354; NSC800111; s2193; ZINC43154472; AKOS015904545; BCP9000744; CCG-264940; CS-0069; NSC-754354; NSC-800111; NCGC00263112-01; NCGC00263112-06; 5-(6-((4-Methylpiperazin-1-yl)methyl)-1H-benzimidazol-1-yl)-3-(((1R)-1-(2-(trifluoromethyl)phenyl)ethyl)oxy)thiophene-2-carboxamide; AC-23167; AS-56069; HY-50877; SW220052-1; X7374; GSK461364A, >=98% (HPLC); A25174; BRD-K92428232-001-01-5; Q27077906; 5-(6-((4-METHYLPIPERAZIN-1-YL)METHYL)-1H-BENZO[D]IMIDAZOL-1-YL)-3-((R)-1-(2-(TRIFLUOROMETHYL)PHENYL)ETHOXY)THIOPHENE-2-CARBOXAMIDE; 5-{6-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-1-yl}-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide; 5-{6-[(4-Methylpiperazin-1-yl)methyl]-1H-benzimidazol-1-yl}-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754354	.	.	.	.	543.6	C27H28F3N5O2S	105	814	4.7	38	1	9	7	"InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1"	C[C@H](C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)CN5CCN(CC5)C)C(=O)N	ZHJGWYRLJUCMRT-QGZVFWFLSA-N
DG65015	Bay 869766;rdea119	15985330	"923032-38-6; BAY 869766; BAY 869766;RDEA119; Refametinib R enantiomer; Refametinib R-Enantiomer; SCHEMBL345334; CHEMBL3349342; SCHEMBL10314890; HMS3654O17; BAY869766; NSC765866; NSC-765866; SB16881; NCGC00229510-01; NCGC00229510-02; N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide; n-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl) cyclopropane-1-sulfonamide; N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765866	.	.	.	.	572.3	C19H20F3IN2O5S	116	711	2.8	31	4	10	9	"InChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3"	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)CC(CO)O)NC3=C(C=C(C=C3)I)F)F)F	RDSACQWTXKSHJT-UHFFFAOYSA-N
DG65016	N-Hydroxy-E-3-(4''-methoxybiphenyl-4-yl)-acrylamide	15986509	CHEMBL561209; SCHEMBL3292536; SCHEMBL3292542; BDBM50293361; NSC762153; NSC-762153; ST-3595; N-Hydroxy-E-3-(4''-methoxybiphenyl-4-yl)-acrylamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762153	.	.	.	.	269.29	C16H15NO3	58.6	327	2.7	20	2	3	4	"InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+"	COC1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)NO	WKQPXLKFQLGQSM-NYYWCZLTSA-N
DG65017	"4,3-f]Indol e-5,10-dione"	16007259	"NSC-726436; CHEMBL469319; 4,3-f]indol e-5,10-dione; NSC726436"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726436	.	.	.	.	391.5	C22H25N5O2	98	600	3.2	29	5	6	8	"InChI=1S/C22H25N5O2/c1-23-9-11-26-18-15-7-8-25-19(15)20(27-12-10-24-2)17-16(18)21(28)13-5-3-4-6-14(13)22(17)29/h3-8,23-27H,9-12H2,1-2H3"	CNCCNC1=C2C(=C(C3=C1C=CN3)NCCNC)C(=O)C4=CC=CC=C4C2=O	AXSQZZOUJLWOOO-UHFFFAOYSA-N
DG65018	Azd-1152hqpa	16007391	"722544-51-6; AZD1152-HQPA; AZD-1152HQPA; barasertib-hQPA; Barasertib (AZD1152-HQPA); UNII-29P8LWS24N; AZD-1152-HQPA; 2-(3-((7-(3-(ethyl(2-hydroxyethyl)amino)propoxy)quinazolin-4-yl)amino)-1H-pyrazol-5-yl)-N-(3-fluorophenyl)acetamide; 2-(5-((7-(3-(ethyl(2-hydroxyethyl)amino)propoxy)quinazolin-4-yl)amino)-1H-pyrazol-3-yl)-N-(3-fluorophenyl)acetamide; AZD1152 HPQA; 29P8LWS24N; CHEMBL215152; INH-34; 2-[5-(7-{3-[Ethyl-(2-hydroxy-ethyl)-amino]-propoxy}-quinazolin-4-ylamino)-2H-pyrazol-3-yl]-N-(3-fluoro-phenyl)-acetamide; 5-[[7-[3-[Ethyl(2-hydroxyethyl)amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide; AZD2811; 2-(5-(7-(3-(ethyl(2-hydroxyethyl)amino)propoxy)quinazolin-4-ylamino)-1H-pyrazol-3-yl)-N-(3-fluorophenyl)acetamide; 2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide; 2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}quinazolin-4-yl)amino]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide; 2-{5-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}quinazolin-4-yl)amino]-1H-pyrazol-3-yl}-N-(3-fluorophenyl)acetamide; 1H-Pyrazole-3-acetamide, 5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-; 2-[5-[[7-[3-[ethyl(2-Hydroxyethyl)amino]propoxy]quinazolin-4-Yl]amino]-1h-Pyrazol-3-Yl]-N-(3-Fluorophenyl)ethanamide; INH 34; Barasertib_HQPA; 1H-Pyrazole-3-acetamide, 5-((7-(3-(ethyl(2-hydroxyethyl)amino)propoxy)-4-quinazolinyl)amino)-N-(3-fluorophenyl)-; Kinome_3323; AZD-1152 hqpa; 1H-Pyrazole-3-acetamide; AZD1152-HQPA,Barasertib; MLS006010643; AZD 1152-HQPA; GTPL5663; pyrazoloquinazoline deriv., 34; SCHEMBL1343965; AZD1152-HQPA - Barasertib; SCHEMBL10102580; BDBM26300; C26H30FN7O3; CHEBI:91367; DTXSID60222584; QCR-205; AZD 2811 [WHO-DD]; cid_16007391; BCPP000363; HMS3265M01; HMS3265M02; HMS3265N01; HMS3265N02; HMS3654I10; HMS3740I17; AOB87753; AZD-2811; BCP01736; EX-A1803; AZD1152-HQPA; AZD2811; BDBM50466808; MFCD10687152; NSC757444; NSC799356; s1147; ZINC16697102; AKOS025404840; AKOS026750558; AM81250; BCP9000359; CCG-264836; CS-0163; NSC-757444; NSC-799356; NCGC00263089-02; NCGC00263089-07; 1H-Pyrazole-3-acetamide, 5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-4-quinazolinyl]amino]-N-(3-fl; AC-30235; BS-17404; HY-10126; SMR004701644; A9415; AZD1152-HQPA, >=98% (HPLC); FT-0720820; SW219431-1; X7385; J-516595; BRD-K63923597-001-05-0; Q27074868; 1218904-24-5; 1H-Pyrazole-5-acetamide, 3-((7-(3-(ethyl(2-hydroxyethyl)amino)propoxy)-4-quinazolinyl)amino)-N-(3-fluorophenyl)-; 2-[5-(7-{3-[Ethyl-(2-hydroxy-ethyl)-amino]-propoxy}-quinazolin-4-ylamino)-1H-pyrazol-3-yl]-N-(3-fluoro-phenyl)-acetamide; 2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-quinazolin-4-yl)amino]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide; YJA"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757444	.	.	.	.	507.6	C26H30FN7O3	128	693	3	37	4	9	13	"InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)"	CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCO	QYZOGCMHVIGURT-UHFFFAOYSA-N
DG65019	"3-amino-6-benzyl-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide"	16008955	"CHEMBL1473104; HMS1830D18; NSC777081; STK886432; ZINC20289841; AKOS001505725; MCULE-2937606439; NSC-777081; NCGC00110660-01; J3.555.177H; C611-0445; 3-amino-6-benzyl-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]-1,6-naphthyridine-2-carboxamide; 3-amino-6-benzyl-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide; N-Phenyl-3-amino-6-benzyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777081	.	.	.	.	414.5	C24H22N4OS	99.5	592	4.6	30	2	5	4	"InChI=1S/C24H22N4OS/c25-21-19-13-17-15-28(14-16-7-3-1-4-8-16)12-11-20(17)27-24(19)30-22(21)23(29)26-18-9-5-2-6-10-18/h1-10,13H,11-12,14-15,25H2,(H,26,29)"	C1CN(CC2=CC3=C(N=C21)SC(=C3N)C(=O)NC4=CC=CC=C4)CC5=CC=CC=C5	OPZZLGCMFRQZFT-UHFFFAOYSA-N
DG65020	"3-(3,4-dimethoxyphenyl)-N-[3-(dipropylamino)propyl]-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide"	16020383	"MLS001199470; CHEMBL602127; HMS1825A15; HMS2885A15; MMV000561; NSC766564; NSC-766564; NCGC00108865-01; SMR000560328; SJ000071854; C453-0352; 3-(3,4-dimethoxyphenyl)-N-[3-(dipropylamino)propyl]-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766564	.	.	.	.	458.6	C24H34N4O3S	96.9	577	5	32	1	6	12	"InChI=1S/C24H34N4O3S/c1-6-12-28(13-7-2)14-8-11-25-23(29)21-16-18-22(26-27(3)24(18)32-21)17-9-10-19(30-4)20(15-17)31-5/h9-10,15-16H,6-8,11-14H2,1-5H3,(H,25,29)"	CCCN(CCC)CCCNC(=O)C1=CC2=C(S1)N(N=C2C3=CC(=C(C=C3)OC)OC)C	LEJZVWKPAYYUCZ-UHFFFAOYSA-N
DG65021	"2-(2-Chloro-benzenesulfonylimino)-imidazolidine-1-carbodithi oic acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester"	16038016	"CHEMBL377035; NSC736213; NSC-736213; 2-(2-Chloro-benzenesulfonylimino)-imidazolidine-1-carbodithi oic acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736213	.	.	.	.	493.1	C14H13ClN6O2S5	204	844	2.4	28	1	8	5	"InChI=1S/C14H13ClN6O2S5/c15-9-3-1-2-4-10(9)28(22,23)18-11-16-5-6-19(11)14(25)27-21-8-7-20-12(21)17-26-13(20)24/h1-4H,5-8H2,(H,16,18)"	C1CN(C(=N1)NS(=O)(=O)C2=CC=CC=C2Cl)C(=S)SN3CCN4C3=NSC4=S	AVPKOUBDQYTMQB-UHFFFAOYSA-N
DG65022	NSC735799	16040331	"7-Methoxy-8-{5-[4-(2-oxo-2H-4-chromenyl)hexahydro-1-pyrazinyl]pentoxy-(11aS)-2,5,11a-tetrahydro-1H-benzo[e] pyrrolo[1,2-a][1,4]diazepine-5-one; NSC735799; NSC-735799; 7-Methoxy-8-{5-[4-(2-oxo-2H-4-chromenyl)hexahydro-1- pyrazinyl]pentoxy-(11aS)-2,5,11a-tetrahydro-1H-benzo[e] pyrrolo[1,2-a][1,4]diazepine-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735799	.	.	.	.	544.6	C31H36N4O5	83.9	963	3.5	40	0	8	9	"InChI=1S/C31H36N4O5/c1-38-28-18-24-25(32-21-22-8-7-12-35(22)31(24)37)19-29(28)39-17-6-2-5-11-33-13-15-34(16-14-33)26-20-30(36)40-27-10-4-3-9-23(26)27/h3-4,9-10,18-22H,2,5-8,11-17H2,1H3/t22-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OCCCCCN4CCN(CC4)C5=CC(=O)OC6=CC=CC=C65	DFFSZOLPRQTKJP-QFIPXVFZSA-N
DG65023	(E)-N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-styrylpyrimidin-4-amine	16041424	"ENMD-2076; 934353-76-1; ENMD 2076; (E)-N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-styrylpyrimidin-4-amine; UNII-J6U9WP10T7; ENMD2076; 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine; CHEMBL482968; J6U9WP10T7; 934353-76-1 (free base); ENMD-981693; (E)-N-(5-methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-styrylpyrimidin-4-amine.; ENND-2076; 1291074-87-7; MLS006011042; SCHEMBL596481; GTPL7885; SCHEMBL10122872; SCHEMBL15668060; DTXSID60239430; EX-A235; AOB87159; BCP06358; BDBM50277584; HY-10987A; NSC800094; s1181; ZINC34885047; AKOS030527014; CCG-264851; CS-0836; NSC-800094; NCGC00263178-09; 4-Pyrimidinamine, 6-(4-methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-((1E)-2-phenylethenyl)-; 6-(4-METHYL-1-PIPERAZINYL)-N-(5-METHYL-1H-PYRAZOL-3-YL)-2-[(1E)-2-PHENYLETHENYL]-4-PYRIMIDINAMINE; AC-32957; SMR004702835; SW219567-1; J3.608.466I; J-518031; BRD-K68488863-001-01-5; Q27077188; N-(5-methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-styrylpyrimidin-4-amine; J3A"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800094	.	.	.	.	375.5	C21H25N7	73	499	3.7	28	2	6	5	"InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)/b9-8+"	CC1=CC(=NN1)NC2=CC(=NC(=N2)/C=C/C3=CC=CC=C3)N4CCN(CC4)C	BLQYVHBZHAISJM-CMDGGOBGSA-N
DG65024	"1-[4-(Methylsulfanyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one"	16044723	"NSC733149; ZINC19926864; AKOS008685380; NSC-733149; AR-685/43306228; 1-[4-(methylsulfanyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733149	.	.	.	.	344.4	C19H20O4S	70.1	404	4.1	24	0	5	7	"InChI=1S/C19H20O4S/c1-21-17-11-13(12-18(22-2)19(17)23-3)5-10-16(20)14-6-8-15(24-4)9-7-14/h5-12H,1-4H3/b10-5+"	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=CC=C(C=C2)SC	RYNQDMYNQOFGJT-BJMVGYQFSA-N
DG65025	3-(2-Furyl)-1-(6-methoxy-2-naphthyl)-2-propen-1-one	16044754	NSC729532; ZINC19927119; NSC-729532; AR-685/43307772; 3-(2-furyl)-1-(6-methoxy-2-naphthyl)-2-propen-1-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729532	.	.	.	.	278.3	C18H14O3	39.4	390	4	21	0	3	4	"InChI=1S/C18H14O3/c1-20-17-7-6-13-11-15(5-4-14(13)12-17)18(19)9-8-16-3-2-10-21-16/h2-12H,1H3/b9-8+"	COC1=CC2=C(C=C1)C=C(C=C2)C(=O)/C=C/C3=CC=CO3	QRJAJPBPJLEPCJ-CMDGGOBGSA-N
DG65026	"1-[4-[3-(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-cyclohexylurea"	16046109	NSC732734; NSC-732734	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732734	.	.	.	.	549.1	C29H29ClN4O3S	99.2	978	6.7	38	2	5	5	"InChI=1S/C29H29ClN4O3S/c30-21-12-10-19(11-13-21)28-26-18-20-6-4-5-9-25(20)27(26)32-34(28)23-14-16-24(17-15-23)38(36,37)33-29(35)31-22-7-2-1-3-8-22/h4-6,9-17,22,26,28H,1-3,7-8,18H2,(H2,31,33,35)"	C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)N3C(C4CC5=CC=CC=C5C4=N3)C6=CC=C(C=C6)Cl	SGXJLOLOIVPAEO-UHFFFAOYSA-N
DG65027	2-Amino-5-(4-fluorophenyl)-3-(pyridin-4-yl)benzamide	16048303	"GSK620503A; CHEMBL231623; SCHEMBL5303452; BDBM27464; HMS3303A24; HMS3305B19; NSC756184; Amino-substituted diarylbenzamide, 8e; NSC-756184; NCGC00242219-01; AB01092094-01; 2-amino-5-(4-fluorophenyl)-3-(pyridin-4-yl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756184	.	.	.	.	307.3	C18H14FN3O	82	405	3	23	2	4	3	"InChI=1S/C18H14FN3O/c19-14-3-1-11(2-4-14)13-9-15(12-5-7-22-8-6-12)17(20)16(10-13)18(21)23/h1-10H,20H2,(H2,21,23)"	C1=CC(=CC=C1C2=CC(=C(C(=C2)C(=O)N)N)C3=CC=NC=C3)F	INRJBVLMKPWSHK-UHFFFAOYSA-N
DG65028	2-Amino-3-phenyl-5-(pyridin-4-yl)benzamide	16048415	"GSK625137A; CHEMBL230911; SCHEMBL5305618; BDBM27475; HMS3303A20; HMS3305D21; NSC756185; Amino-substituted diarylbenzamide, 8p; NSC-756185; NCGC00242156-01; 2-amino-3-phenyl-5-(pyridin-4-yl)benzamide; AB01092095-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756185	.	.	.	.	289.3	C18H15N3O	82	375	2.9	22	2	3	3	"InChI=1S/C18H15N3O/c19-17-15(13-4-2-1-3-5-13)10-14(11-16(17)18(20)22)12-6-8-21-9-7-12/h1-11H,19H2,(H2,20,22)"	C1=CC=C(C=C1)C2=C(C(=CC(=C2)C3=CC=NC=C3)C(=O)N)N	KDDJEKWJEFRYAO-UHFFFAOYSA-N
DG65029	"6-(3-Piperazinyl-1-propyl)-5,3-dimethoxy-8,9-met hylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrochloride"	16049841	"NSC728316; NSC-728316; 6-(3-Piperazinyl-1-propyl)-5,3-dimethoxy-8,9-met hylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728316	.	.	.	.	514	C26H28ClN3O6	89.6	873	.	36	2	8	6	"InChI=1S/C26H27N3O6.ClH/c1-32-19-10-15-18(13-20(19)33-2)26(31)29(7-3-6-28-8-4-27-5-9-28)24-16-11-21-22(35-14-34-21)12-17(16)25(30)23(15)24;/h10-13,27H,3-9,14H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCNCC6)OC.Cl	XITNZLXDNSTFLW-UHFFFAOYSA-N
DG65030	3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide	16051023	"GSK579289A; 929095-23-8; GSK461364analogueI; 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide; compound 25 [PMID 19237286]; GSK-579289A; GSK461364 analogue I; GTPL8150; SCHEMBL2989105; CHEMBL1794070; BDBM28217; HMS3303M23; HMS3305E08; NSC756179; ZINC34948948; NSC-756179; benzimidazole thiophene carboxamide, 25; NCGC00242215-02; AB01092182-01; Q27077912; (R)-3-(1-(2-chlorophenyl)ethoxy)-5-(6-(1-methylpiperidin-4-yloxy)-1H-benzo[d]imidazol-1-yl)thiophene-2-carboxamide; 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodiazol-1-yl}thiophene-2-carboxamide; 3-{[(1R)-1-(2-Chlorophenyl)ethyl]oxy}-5-{6-[(1-methyl-4-piperidinyl)oxy]-1H-benzimidazol-1-yl}-2-thiophenecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756179	.	.	.	.	511	C26H27ClN4O3S	111	727	5.4	35	1	6	7	"InChI=1S/C26H27ClN4O3S/c1-16(19-5-3-4-6-20(19)27)33-23-14-24(35-25(23)26(28)32)31-15-29-21-8-7-18(13-22(21)31)34-17-9-11-30(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,28,32)/t16-/m1/s1"	C[C@H](C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OC5CCN(CC5)C)C(=O)N	GILNGUYOGYOZMP-MRXNPFEDSA-N
DG65031	"16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-4-and rostene-3,17-dione"	16051320	"SCHEMBL13838284; NSC728324; NSC-728324; 16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-4-and rostene-3,17-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728324	.	.	.	.	528.7	C33H40N2O4	70.4	1020	5.1	39	0	5	7	"InChI=1S/C33H40N2O4/c1-32-11-9-25(36)20-24(32)6-7-26-27(32)10-12-33(2)28(26)19-23(31(33)37)17-22-5-8-29(30(18-22)38-3)39-16-4-14-35-15-13-34-21-35/h5,8,13,15,17-18,20-21,26-28H,4,6-7,9-12,14,16,19H2,1-3H3/b23-17+/t26 ,27 ,28 ,32-,33-/m0/s1"	C[C@]12CCC(=O)C=C1CCC3C2CC[C@]4(C3C/C(=C\\C5=CC(=C(C=C5)OCCCN6C=CN=C6)OC)/C4=O)C	OINGZYUTNWDDFW-SYNRVTCLSA-N
DG65032	(hydroxymethoxy)N-methylpyrrolopyrrolizinones	16061747	NSC733670; NSC-733670; (hydroxymethoxy)N-methylpyrrolopyrrolizinones	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733670	.	.	.	.	294.3	C17H14N2O3	56.4	457	2.5	22	1	3	2	"InChI=1S/C17H14N2O3/c1-18-9-11(10-5-6-14(22-2)13(20)8-10)15-16(18)17(21)12-4-3-7-19(12)15/h3-9,20H,1-2H3"	CN1C=C(C2=C1C(=O)C3=CC=CN32)C4=CC(=C(C=C4)OC)O	LCXYQACKMYONLW-UHFFFAOYSA-N
DG65033	"2-(Trifluoromethyl)isoindolo[1,2-c][1,2,4]benzotriazine-11-carbonitrile"	16066791	CHEMBL3706869; NSC729500; NSC-729500	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729500	.	.	.	.	312.25	C16H7F3N4	54	513	4.4	23	0	6	0	"InChI=1S/C16H7F3N4/c17-16(18,19)9-5-6-12-13(7-9)23-14(8-20)10-3-1-2-4-11(10)15(23)22-21-12/h1-7H"	C1=CC2=C(N3C4=C(C=CC(=C4)C(F)(F)F)N=NC3=C2C=C1)C#N	ONLXHUFVMVWKDS-UHFFFAOYSA-N
DG65034	"(1,2-benzisothiazol-2(3H)-yl)methyl diethyldithiocarbamate"	16072143	"NSC735179; NSC-735179; (1,2-benzisothiazol-2(3H)-yl)methyl diethyldithiocarbamate; (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl N,N-diethylcarbamodithioate; Carbamodithioic acid, diethyl-, (1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735179	.	.	.	.	344.5	C13H16N2O3S3	124	511	2.5	21	0	5	5	"InChI=1S/C13H16N2O3S3/c1-3-14(4-2)13(19)20-9-15-12(16)10-7-5-6-8-11(10)21(15,17)18/h5-8H,3-4,9H2,1-2H3"	CCN(CC)C(=S)SCN1C(=O)C2=CC=CC=C2S1(=O)=O	RPOHTLLNFAMCOX-UHFFFAOYSA-N
DG65035	"O-ethyl (1,1,3-trioxo-1,2-benzothiazol-2-yl)methylsulfanylmethanethioate"	16072465	"NSC735184; NSC-735184; S-[(1,2-benzisothiazol-2(3H)-yl)methyl] O-ethyl dithiocarbonate; O-ethyl (1,1,3-trioxo-1,2-benzothiazol-2-yl)methylsulfanylmethanethioate; Carbonodithioic acid, S-[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl] O-ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735184	.	.	.	.	317.4	C11H11NO4S3	129	471	2.5	19	0	6	5	"InChI=1S/C11H11NO4S3/c1-2-16-11(17)18-7-12-10(13)8-5-3-4-6-9(8)19(12,14)15/h3-6H,2,7H2,1H3"	CCOC(=S)SCN1C(=O)C2=CC=CC=C2S1(=O)=O	LCVTVGXXRGWOGW-UHFFFAOYSA-N
DG65036	"(1,2-benzisothiazol-2(3H)-yl)methyl morpholine-4-carbodithioate"	16072469	"NSC735182; NSC-735182; (1,2-benzisothiazol-2(3H)-yl)methyl morpholine-4-carbodithioate; (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl morpholine-4-carbodithioate; 4-Morpholinecarbodithioic acid, (1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735182	.	.	.	.	358.5	C13H14N2O4S3	133	554	1.4	22	0	6	3	"InChI=1S/C13H14N2O4S3/c16-12-10-3-1-2-4-11(10)22(17,18)15(12)9-21-13(20)14-5-7-19-8-6-14/h1-4H,5-9H2"	C1COCCN1C(=S)SCN2C(=O)C3=CC=CC=C3S2(=O)=O	WKHYFMGCULHTDL-UHFFFAOYSA-N
DG65037	"(1,2-benzisothiazol-2(3H)-yl)methyl pyrrolidine-1-carbodithioate"	16072470	"NSC735183; NSC-735183; (1,2-benzisothiazol-2(3H)-yl)methyl pyrrolidine-1-carbodithioate; (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl pyrrolidine-1-carbodithioate; 1-Pyrrolidinecarbodithioic acid, (1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735183	.	.	.	.	342.5	C13H14N2O3S3	124	537	2.2	21	0	5	3	"InChI=1S/C13H14N2O3S3/c16-12-10-5-1-2-6-11(10)21(17,18)15(12)9-20-13(19)14-7-3-4-8-14/h1-2,5-6H,3-4,7-9H2"	C1CCN(C1)C(=S)SCN2C(=O)C3=CC=CC=C3S2(=O)=O	XWFZBYDAANKNFN-UHFFFAOYSA-N
DG65038	"(1,2-benzisothiazol-2(3H)-yl)methyl 4-methylpiperazine-1-carbodithioate"	16072473	"NSC735181; NSC-735181; (1,2-benzisothiazol-2(3H)-yl)methyl 4-methylpiperazine-1-carbodithioate; (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl 4-methylpiperazine-1-carbodithioate; 1-Piperazinecarbodithioic acid, 4-methyl-, (1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735181	.	.	.	.	371.5	C14H17N3O3S3	127	582	1.5	23	0	6	3	"InChI=1S/C14H17N3O3S3/c1-15-6-8-16(9-7-15)14(21)22-10-17-13(18)11-4-2-3-5-12(11)23(17,19)20/h2-5H,6-10H2,1H3"	CN1CCN(CC1)C(=S)SCN2C(=O)C3=CC=CC=C3S2(=O)=O	WISWTKJBQSFCCS-UHFFFAOYSA-N
DG65039	"(1,2-benzisothiazol-2(3H)-yl)methyl piperidine-1-carbodithioate"	16072475	"NSC735180; NSC-735180; (1,2-benzisothiazol-2(3H)-yl)methyl piperidine-1-carbodithioate; (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl piperidine-1-carbodithioate; 1-Piperidinecarbodithioic acid, (1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735180	.	.	.	.	356.5	C14H16N2O3S3	124	552	2.6	22	0	5	3	"InChI=1S/C14H16N2O3S3/c17-13-11-6-2-3-7-12(11)22(18,19)16(13)10-21-14(20)15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-10H2"	C1CCN(CC1)C(=S)SCN2C(=O)C3=CC=CC=C3S2(=O)=O	OXFAWARCXIPXID-UHFFFAOYSA-N
DG65040	N-(4-chlorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide	16079750	NSC734278; NSC-734278	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734278	.	.	.	.	405.9	C22H16ClN3OS	80.2	508	5.2	28	1	4	5	"InChI=1S/C22H16ClN3OS/c23-16-10-12-17(13-11-16)24-20(27)14-28-22-21(15-6-2-1-3-7-15)25-18-8-4-5-9-19(18)26-22/h1-13H,14H2,(H,24,27)"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)Cl	QIFNACABZQROSX-UHFFFAOYSA-N
DG65041	N-(4-fluorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide	16079751	NSC735806; NSC-735806	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735806	.	.	.	.	389.4	C22H16FN3OS	80.2	508	4.7	28	1	5	5	"InChI=1S/C22H16FN3OS/c23-16-10-12-17(13-11-16)24-20(27)14-28-22-21(15-6-2-1-3-7-15)25-18-8-4-5-9-19(18)26-22/h1-13H,14H2,(H,24,27)"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)F	UOYCHBFCRHMSFA-UHFFFAOYSA-N
DG65042	N-(4-fluorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfonylacetamide	16079755	NSC735807; NSC-735807	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735807	.	.	.	.	421.4	C22H16FN3O3S	97.4	684	4	30	1	6	5	"InChI=1S/C22H16FN3O3S/c23-16-10-12-17(13-11-16)24-20(27)14-30(28,29)22-21(15-6-2-1-3-7-15)25-18-8-4-5-9-19(18)26-22/h1-13H,14H2,(H,24,27)"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2S(=O)(=O)CC(=O)NC4=CC=C(C=C4)F	SEIUBZYCTWHKBO-UHFFFAOYSA-N
DG65043	miuraenamide A	16080416	"miuraenamide A; 905982-74-3; (3E,15E)-6-[(3-bromo-4-hydroxyphenyl)methyl]-3-[methoxy(phenyl)methylidene]-7,9,16,19-tetramethyl-1-oxa-4,7,10-triazacyclononadec-15-ene-2,5,8,11-tetrone; DTXSID40582052; NSC744763; NSC-744763"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744763	.	.	.	.	684.6	C34H42BrN3O7	134	1100	5.1	45	3	7	4	"InChI=1S/C34H42BrN3O7/c1-21-11-9-10-14-29(40)36-23(3)33(42)38(4)27(20-24-17-18-28(39)26(35)19-24)32(41)37-30(34(43)45-22(2)16-15-21)31(44-5)25-12-7-6-8-13-25/h6-8,11-13,17-19,22-23,27,39H,9-10,14-16,20H2,1-5H3,(H,36,40)(H,37,41)/b21-11+,31-30+"	CC1CC/C(=C/CCCC(=O)NC(C(=O)N(C(C(=O)N/C(=C(\\C2=CC=CC=C2)/OC)/C(=O)O1)CC3=CC(=C(C=C3)O)Br)C)C)/C	LOOHMHDNJMUEAT-SFHJFPFYSA-N
DG65044	cyclo(-(R)-b2hPhe-D-Pro-Lys-Phe)	16083382	NSC742380; cyclo(-(R)-b2hPhe-D-Pro-Lys-Phe); NSC-742380	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742380	.	.	.	.	533.7	C30H39N5O4	134	839	2.1	39	4	5	8	"InChI=1S/C30H39N5O4/c31-16-8-7-14-24-28(37)34-25(19-22-12-5-2-6-13-22)27(36)32-20-23(18-21-10-3-1-4-11-21)30(39)35-17-9-15-26(35)29(38)33-24/h1-6,10-13,23-26H,7-9,14-20,31H2,(H,32,36)(H,33,38)(H,34,37)/t23-,24+,25+,26-/m1/s1"	C1C[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NC[C@H](C(=O)N2C1)CC3=CC=CC=C3)CC4=CC=CC=C4)CCCCN	BZCYOJCHUSYJRM-KEVKATSASA-N
DG65045	"6-[3-Pyrazolyl-1-propyl]5,3-dimethoxy-8,9-methyl enedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	16090528	"CHEMBL385271; NSC735037; NSC-735037; 6-[3-Pyrazolyl-1-propyl]5,3-dimethoxy-8,9-methyl enedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735037	.	.	.	.	459.4	C25H21N3O6	92.1	864	2.4	34	0	7	6	"InChI=1S/C25H21N3O6/c1-31-18-9-14-17(12-19(18)32-2)25(30)28(8-4-7-27-6-3-5-26-27)23-15-10-20-21(34-13-33-20)11-16(15)24(29)22(14)23/h3,5-6,9-12H,4,7-8,13H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6C=CC=N6)OC	DMPDXMNLPKWCHZ-UHFFFAOYSA-N
DG65046	NSC737518	16090529	"6-[3-[2-[1,4]-Triazolyl-1-propyl]-5,6-dihydro-2,3-dimethox y-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinolin e Hydrochloride; CHEMBL557541; SCHEMBL1308419; NSC737518; NSC-737518; 6-[3-[2-[1,4]-Triazolyl-1-propyl]-5,6-dihydro-2,3-dimethox y-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinolin e Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737518	.	.	.	.	496.9	C24H21ClN4O6	105	866	.	35	1	8	6	"InChI=1S/C24H20N4O6.ClH/c1-31-17-6-13-16(9-18(17)32-2)24(30)28(5-3-4-27-11-25-10-26-27)22-14-7-19-20(34-12-33-19)8-15(14)23(29)21(13)22;/h6-11H,3-5,12H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6C=NC=N6)OC.Cl	PSSHRQLUYSNEPT-UHFFFAOYSA-N
DG65047	"6-[(3-Thiomorpholyl)-1-propyl)-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	16090534	"CHEMBL214485; SCHEMBL16004615; NSC727298; NSC-727298; 6-[(3-Thiomorpholyl)-1-propyl)-5,3-dimethoxy-8,9 -methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727298	.	.	.	.	494.6	C26H26N2O6S	103	876	3	35	0	8	6	"InChI=1S/C26H26N2O6S/c1-31-19-10-15-18(13-20(19)32-2)26(30)28(5-3-4-27-6-8-35-9-7-27)24-16-11-21-22(34-14-33-21)12-17(16)25(29)23(15)24/h10-13H,3-9,14H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCSCC6)OC	WXILFLQKTZOHLZ-UHFFFAOYSA-N
DG65048	"6-[3-(3-Hydroxypiperidinyl)-1-propyl]-5,3-dimeth oxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinol ine Hydrochloride"	16090535	"CHEMBL536780; SCHEMBL1309208; NSC728318; NSC-728318; 6-[3-(3-Hydroxypiperidinyl)-1-propyl]-5,3-dimeth oxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinol ine Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728318	.	.	.	.	529	C27H29ClN2O7	97.8	909	.	37	2	8	6	"InChI=1S/C27H28N2O7.ClH/c1-33-20-9-16-19(12-21(20)34-2)27(32)29(8-4-7-28-6-3-5-15(30)13-28)25-17-10-22-23(36-14-35-22)11-18(17)26(31)24(16)25;/h9-12,15,30H,3-8,13-14H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCCC(C6)O)OC.Cl	OMLXDEGLKQMBMU-UHFFFAOYSA-N
DG65049	"3-[(1-Methylpiperazine)-1-propyl]-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	16090538	"CHEMBL1188156; NSC725777; NSC-725777; 3-[(1-Methylpiperazine)-1-propyl]-5,3-dimethoxy- 8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725777	.	.	.	.	491.5	C27H29N3O6	80.8	902	2.3	36	0	8	6	"InChI=1S/C27H29N3O6/c1-28-7-9-29(10-8-28)5-4-6-30-25-17-12-22-23(36-15-35-22)13-18(17)26(31)24(25)16-11-20(33-2)21(34-3)14-19(16)27(30)32/h11-14H,4-10,15H2,1-3H3"	CN1CCN(CC1)CCCN2C3=C(C4=CC(=C(C=C4C2=O)OC)OC)C(=O)C5=CC6=C(C=C53)OCO6	NRKUWWSKJLFGMB-UHFFFAOYSA-N
DG65050	"3-[(4-Hydroxyethylpiperidine)-1-propyl]-5,3-dime thoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquin oline"	16090543	"CHEMBL217241; NSC724995; NSC-724995; 3-[(4-Hydroxyethylpiperidine)-1-propyl]-5,3-dime thoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquin oline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724995	.	.	.	.	521.6	C28H31N3O7	101	935	1.7	38	1	9	8	"InChI=1S/C28H31N3O7/c1-35-21-12-17-20(15-22(21)36-2)28(34)31(5-3-4-29-6-8-30(9-7-29)10-11-32)26-18-13-23-24(38-16-37-23)14-19(18)27(33)25(17)26/h12-15,32H,3-11,16H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCN(CC6)CCO)OC	JYHRUUYQZXLFOH-UHFFFAOYSA-N
DG65051	"6-[(5-Morpholyl-3-aminoethyl)-1-propyl]-5,3-dime thoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquin oline"	16090544	"CHEMBL214995; NSC725666; NSC-725666; 6-[(5-Morpholyl-3-aminoethyl)-1-propyl]-5,3-dime thoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquin oline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725666	.	.	.	.	521.6	C28H31N3O7	98.8	922	1.7	38	1	9	9	"InChI=1S/C28H31N3O7/c1-34-21-12-17-20(15-22(21)35-2)28(33)31(6-3-4-29-5-7-30-8-10-36-11-9-30)26-18-13-23-24(38-16-37-23)14-19(18)27(32)25(17)26/h12-15,29H,3-11,16H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCN6CCOCC6)OC	CYHZOMLNHVKVMJ-UHFFFAOYSA-N
DG65052	"2-Benzylthio-4-chloro-5-(4-fluorophenylcarbamoyl)-N-(1,3-ben zoxazol-2-yl)-benzenesulfonamide"	16092411	"NSC734054; NSC-734054; 2-Benzylthio-4-chloro-5-(4-fluorophenylcarbamoyl)-N-(1,3-ben zoxazol-2-yl)-benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734054	.	.	.	.	568	C27H19ClFN3O4S2	135	895	6.2	38	2	8	8	"InChI=1S/C27H19ClFN3O4S2/c28-21-15-24(37-16-17-6-2-1-3-7-17)25(14-20(21)26(33)30-19-12-10-18(29)11-13-19)38(34,35)32-27-31-22-8-4-5-9-23(22)36-27/h1-15H,16H2,(H,30,33)(H,31,32)"	C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C(=O)NC3=CC=C(C=C3)F)S(=O)(=O)NC4=NC5=CC=CC=C5O4	GSMYEYYUFIVKNK-UHFFFAOYSA-N
DG65053	"2-Benzylthio-4-chloro-5-methyl-N-(2,3-dihydro-1H-benzimidazo l-2-yl)benzenesulfonamide"	16092413	"CHEMBL4536328; NSC731399; NSC-731399; 2-Benzylthio-4-chloro-5-methyl-N-(2,3-dihydro-1H-benzimidazo l-2-yl)benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731399	.	.	.	.	444	C21H18ClN3O2S2	109	638	5.3	29	2	5	6	"InChI=1S/C21H18ClN3O2S2/c1-14-11-20(19(12-16(14)22)28-13-15-7-3-2-4-8-15)29(26,27)25-21-23-17-9-5-6-10-18(17)24-21/h2-12H,13H2,1H3,(H2,23,24,25)"	CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N3	BOBLDRSNASJIPU-UHFFFAOYSA-N
DG65054	"2-Benzylthio-4-chloro-5-cyano-N-(1,3-benzoxazol-2-yl)benzene sulfonamide"	16092415	"NSC734055; NSC-734055; 2-Benzylthio-4-chloro-5-cyano-N-(1,3-benzoxazol-2-yl)benzene sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734055	.	.	.	.	455.9	C21H14ClN3O3S2	130	732	5	30	1	7	6	"InChI=1S/C21H14ClN3O3S2/c22-16-11-19(29-13-14-6-2-1-3-7-14)20(10-15(16)12-23)30(26,27)25-21-24-17-8-4-5-9-18(17)28-21/h1-11H,13H2,(H,24,25)"	C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C#N)S(=O)(=O)NC3=NC4=CC=CC=C4O3	GXMOSDFGJBWXPG-UHFFFAOYSA-N
DG65055	"2-Benzylthio-4-chloro-5-methyl-N-(1,3-benzoxazol-2-yl)benzen esulfonamide"	16092421	"NSC731397; NSC-731397; 2-Benzylthio-4-chloro-5-methyl-N-(1,3-benzoxazol-2-yl)benzen esulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731397	.	.	.	.	445	C21H17ClN2O3S2	106	638	5.6	29	1	6	6	"InChI=1S/C21H17ClN2O3S2/c1-14-11-20(19(12-16(14)22)28-13-15-7-3-2-4-8-15)29(25,26)24-21-23-17-9-5-6-10-18(17)27-21/h2-12H,13H2,1H3,(H,23,24)"	CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NC4=CC=CC=C4O3	ZAQOAQZGQIDCGG-UHFFFAOYSA-N
DG65056	"N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-[2-(morpholin-4-yl)ethoxy]benzamide"	16095342	"GSK269962A; 850664-21-0; GSK 269962; GSK-269962A; GSK269962; GSK 269962A; 925213-63-4; Aminofurazanyl-azabenzimidazole 6n; UNII-F89KMM7TE2; F89KMM7TE2; CID 16095342; GSK269962B; N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-morpholin-4-ylethoxy)benzamide; GSK-269962; N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-[2-(morpholin-4-yl)ethoxy]benzamide; GSK269962A HCl; N-(3-((2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo(4,5-C)pyridin-6-yl)oxy)phenyl)-4-(2-(4-morpholinyl)ethoxy)benzamide; N-[3-[[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy]phenyl]-4-[2-(4-morpholinyl)ethoxy]benzamide; Kinome_3843; MLS006010261; ROCK inhibitor GS269962A; CHEMBL220241; GTPL8037; SCHEMBL1838346; BDBM14047; DTXSID40582496; EX-A674; C29H30N8O5; BCP27824; 3703AH; MFCD09970310; NSC756162; ZINC14954335; AKOS024457925; BCP9000742; NSC-756162; NCGC00241982-01; NCGC00241982-02; NCGC00241982-03; NCGC00241982-09; AS-56202; BG164808; HY-15556; SMR004701334; GSK269962; GSK269962A; FT-0700376; AB01092223-01; A860055; Q27077891; GSK 269962A;GSK-269962A;GSK269962;GSK 269962;GSK-269962; Benzamide, N-(3-((2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo(4,5-C)pyridin-6-yl)oxy)phenyl)-4-(2-(4-morpholinyl)ethoxy)-; N-(3-((2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl)oxy)phenyl)-4-(2-morpholinoethoxy)benzamide; N-(3-{[2-(4-amino-furazan-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-{[2-(4-morpholinyl)ethyl]oxy}benzamide; N-[3-[[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy]phenyl]-4-[2-(4-morpholinyl)ethoxy]-benzamide; N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[5,4-d]pyridin-6-yl]oxyphenyl]-4-(2-morpholin-4-ylethoxy)benzamide; N-{3-[2-(4-Amino-furazan-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yloxy]-phenyl}-4-(2-morpholin-4-yl-ethoxy)-benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756162	.	.	.	.	570.6	C29H30N8O5	156	860	2.2	42	2	11	10	"InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)"	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	YOVNFNXUCOWYSG-UHFFFAOYSA-N
DG65057	"[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-[(3S)-3-aminopyrrolidin-1-yl]methanone"	16095343	CHEMBL1956071; SB-772077B; SCHEMBL15799497; BDBM50365218; NSC756491; ZINC35076001; NSC-756491; SB-7720770B; NCGC00241969-05; AB01092286-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756491	.	.	.	.	342.36	C15H18N8O2	142	508	-1.4	25	2	8	3	"InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1"	CCN1C2=C(C=NC=C2C(=O)N3CC[C@@H](C3)N)N=C1C4=NON=C4N	PHWHNHYZZNJPLB-QMMMGPOBSA-N
DG65058	"1-(4-Chlorophenyl)-3,3' =indoline]=2',4-dione"	16096361	"NSC737780; NSC-737780; 1-(4-chlorophenyl)-3,3' =indoline]=2',4-dione; 1-(4-Chlorophenyl)-3,3-diphenyl-1'-methylspiro[azetidine-2,3'-indoline]-2',4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737780	.	.	.	.	464.9	C29H21ClN2O2	40.6	778	5.5	34	0	2	3	"InChI=1S/C29H21ClN2O2/c1-31-25-15-9-8-14-24(25)29(27(31)34)28(20-10-4-2-5-11-20,21-12-6-3-7-13-21)26(33)32(29)23-18-16-22(30)17-19-23/h2-19H,1H3"	CN1C2=CC=CC=C2C3(C1=O)C(C(=O)N3C4=CC=C(C=C4)Cl)(C5=CC=CC=C5)C6=CC=CC=C6	QTFBYRIOLWVHPI-UHFFFAOYSA-N
DG65059	"6-(3-Bromopropyl)-5,9-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline"	16098803	"CHEMBL376066; NSC734296; NSC-734296; 6-(3-Bromopropyl)-5,9-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734296	.	.	.	.	473.3	C21H17BrN2O6	102	765	3.3	30	0	6	5	"InChI=1S/C21H17BrN2O6/c1-29-16-9-13-14(10-17(16)30-2)20(25)18-12-5-4-11(24(27)28)8-15(12)21(26)23(19(13)18)7-3-6-22/h4-5,8-10H,3,6-7H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr)OC	KEJJCINVWHYGSV-UHFFFAOYSA-N
DG65060	"6-(3-Chloropropyl)-9-methoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione"	16098804	CHEMBL218810; SCHEMBL16312082; NSC733654; NSC-733654	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733654	.	.	.	.	398.8	C20H15ClN2O5	92.4	718	3.1	28	0	5	4	"InChI=1S/C20H15ClN2O5/c1-28-12-4-6-14-15(10-12)19(24)17-13-5-3-11(23(26)27)9-16(13)20(25)22(18(14)17)8-2-7-21/h3-6,9-10H,2,7-8H2,1H3"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCCl	BPHWXBCGOWKFEJ-UHFFFAOYSA-N
DG65061	"6-(3-Chloropropyl)-7-methoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione"	16098805	CHEMBL374783; NSC733883; NSC-733883	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733883	.	.	.	.	398.8	C20H15ClN2O5	92.4	718	3.1	28	0	5	4	"InChI=1S/C20H15ClN2O5/c1-28-15-5-2-4-13-16(15)18-17(19(13)24)12-7-6-11(23(26)27)10-14(12)20(25)22(18)9-3-8-21/h2,4-7,10H,3,8-9H2,1H3"	COC1=CC=CC2=C1C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCCl	GUDBMPKWSVEYSF-UHFFFAOYSA-N
DG65062	"6-(3-Azidopropyl)-5,9-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline"	16098806	"CHEMBL219170; NSC733653; NSC-733653; 6-(3-Azidopropyl)-5,9-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733653	.	.	.	.	435.4	C21H17N5O6	116	878	3.4	32	0	8	6	"InChI=1S/C21H17N5O6/c1-31-16-9-13-14(10-17(16)32-2)20(27)18-12-5-4-11(26(29)30)8-15(12)21(28)25(19(13)18)7-3-6-23-24-22/h4-5,8-10H,3,6-7H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-])OC	NDLSGLJKKMUKJQ-UHFFFAOYSA-N
DG65063	"6-(3-Azidopropyl)-9-methoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione"	16098807	CHEMBL219702; NSC733882; NSC-733882	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733882	.	.	.	.	405.4	C20H15N5O5	107	830	3.4	30	0	7	5	"InChI=1S/C20H15N5O5/c1-30-12-4-6-14-15(10-12)19(26)17-13-5-3-11(25(28)29)9-16(13)20(27)24(18(14)17)8-2-7-22-23-21/h3-6,9-10H,2,7-8H2,1H3"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-]	FQDYRTACDWAHEM-UHFFFAOYSA-N
DG65064	"6-(3-Aminopropyl)-5,8,9-trimethoxy-3-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	16098808	"NSC734287; NSC-734287; 6-(3-Aminopropyl)-5,8,9-trimethoxy-3-nitro-5,11- dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734287	.	.	.	.	475.9	C22H22ClN3O7	137	810	.	33	2	8	6	"InChI=1S/C22H21N3O7.ClH/c1-30-15-10-14-17(21(32-3)20(15)31-2)18-16(19(14)26)12-6-5-11(25(28)29)9-13(12)22(27)24(18)8-4-7-23;/h5-6,9-10H,4,7-8,23H2,1-3H3;1H"	COC1=C(C(=C2C(=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN)OC)OC.Cl	NQKWCQPQILVCOF-UHFFFAOYSA-N
DG65065	"6-(3-Aminopropyl)-5,11-dioxo-1 1H-indeno[1,2-c]isoquinoline Hydrochloride"	16098812	"NSC736679; NSC-736679; 6-(3-Aminopropyl)-5,11-dioxo-1 1H-indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736679	.	.	.	.	415.8	C20H18ClN3O5	118	715	.	29	2	6	4	"InChI=1S/C20H17N3O5.ClH/c1-28-15-5-2-4-13-16(15)18-17(19(13)24)12-7-6-11(23(26)27)10-14(12)20(25)22(18)9-3-8-21;/h2,4-7,10H,3,8-9,21H2,1H3;1H"	COC1=CC=CC2=C1C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl	GETQJKLTHBKBRW-UHFFFAOYSA-N
DG65066	"cis-6-(3-Bromopropyl)-12,9,10-trimethoxy-3-nitr o-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	16098814	"CHEMBL218885; NSC733502; NSC-733502; cis-6-(3-Bromopropyl)-12,9,10-trimethoxy-3-nitr o-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733502	.	.	.	.	505.3	C22H21BrN2O7	111	746	3	32	0	7	6	"InChI=1S/C22H21BrN2O7/c1-30-15-10-14-17(21(32-3)20(15)31-2)19(26)16-12-6-5-11(25(28)29)9-13(12)22(27)24(18(14)16)8-4-7-23/h5-6,9-10,16,18H,4,7-8H2,1-3H3/t16-,18-/m1/s1"	COC1=C(C(=C2C(=C1)[C@@H]3[C@H](C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr)OC)OC	CIEWUCHYUNPKCX-SJLPKXTDSA-N
DG65067	"6-(3-Bromopropyl)-5,8,9-trimethoxy-3-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	16098822	"CHEMBL219918; NSC733881; NSC-733881; 6-(3-Bromopropyl)-5,8,9-trimethoxy-3-nitro-5,11- dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733881	.	.	.	.	503.3	C22H19BrN2O7	111	813	3.2	32	0	7	6	"InChI=1S/C22H19BrN2O7/c1-30-15-10-14-17(21(32-3)20(15)31-2)18-16(19(14)26)12-6-5-11(25(28)29)9-13(12)22(27)24(18)8-4-7-23/h5-6,9-10H,4,7-8H2,1-3H3"	COC1=C(C(=C2C(=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCBr)OC)OC	ADZLHPTZIXUYPG-UHFFFAOYSA-N
DG65068	"6-(3-Bromopropyl)-5,8-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline"	16098823	"CHEMBL267181; NSC733880; NSC-733880; 6-(3-Bromopropyl)-5,8-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733880	.	.	.	.	473.3	C21H17BrN2O6	102	765	3.3	30	0	6	5	"InChI=1S/C21H17BrN2O6/c1-29-15-7-6-13-17(20(15)30-2)18-16(19(13)25)12-5-4-11(24(27)28)10-14(12)21(26)23(18)9-3-8-22/h4-7,10H,3,8-9H2,1-2H3"	COC1=C(C2=C(C=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCBr)OC	ZPVICIUELJKGAD-UHFFFAOYSA-N
DG65069	"6-(3-Azidopropyl)-5,8,9-trimethoxy-3-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	16098824	"CHEMBL219437; NSC734295; NSC-734295; 6-(3-Azidopropyl)-5,8,9-trimethoxy-3-nitro-5,11- dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734295	.	.	.	.	465.4	C22H19N5O7	125	927	3.4	34	0	9	7	"InChI=1S/C22H19N5O7/c1-32-15-10-14-17(21(34-3)20(15)33-2)18-16(19(14)28)12-6-5-11(27(30)31)9-13(12)22(29)26(18)8-4-7-24-25-23/h5-6,9-10H,4,7-8H2,1-3H3"	COC1=C(C(=C2C(=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN=[N+]=[N-])OC)OC	JWARDERTCDRHAM-UHFFFAOYSA-N
DG65070	"6-(3-Azidopropyl)-5,8-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline"	16098825	"CHEMBL409569; NSC734288; NSC-734288; 6-(3-Azidopropyl)-5,8-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734288	.	.	.	.	435.4	C21H17N5O6	116	878	3.4	32	0	8	6	"InChI=1S/C21H17N5O6/c1-31-15-7-6-13-17(20(15)32-2)18-16(19(13)27)12-5-4-11(26(29)30)10-14(12)21(28)25(18)9-3-8-23-24-22/h4-7,10H,3,8-9H2,1-2H3"	COC1=C(C2=C(C=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN=[N+]=[N-])OC	LIKRUARCALWBDA-UHFFFAOYSA-N
DG65071	"6-(3-Aminopropyl)-5,9-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	16098827	"NSC734141; NSC-734141; 6-(3-Aminopropyl)-5,9-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734141	.	.	.	.	445.9	C21H20ClN3O6	128	762	.	31	2	7	5	"InChI=1S/C21H19N3O6.ClH/c1-29-16-9-13-14(10-17(16)30-2)20(25)18-12-5-4-11(24(27)28)8-15(12)21(26)23(19(13)18)7-3-6-22;/h4-5,8-10H,3,6-7,22H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN)OC.Cl	PFHAHEOYVLNKRF-UHFFFAOYSA-N
DG65072	"6-(3-Aminopropropyl)-5,11-diox o-11H-indeno[1,2-c]isoquinoline"	16098829	"CHEMBL538586; NSC733884; NSC-733884; 6-(3-Aminopropropyl)-5,11-diox o-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733884	.	.	.	.	415.8	C20H18ClN3O5	118	715	.	29	2	6	4	"InChI=1S/C20H17N3O5.ClH/c1-28-12-4-6-14-15(10-12)19(24)17-13-5-3-11(23(26)27)9-16(13)20(25)22(18(14)17)8-2-7-21;/h3-6,9-10H,2,7-8,21H2,1H3;1H"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl	GRBOMQHBPDTXLA-UHFFFAOYSA-N
DG65073	"cis-6-(3-Bromopropyl)-12,9-dimethoxy-3-nitro-5, 11-dioxo-11H-indeno[1,2-c]isoquinoline"	16098831	"CHEMBL386302; NSC733503; NSC-733503; cis-6-(3-Bromopropyl)-12,9-dimethoxy-3-nitro-5, 11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733503	.	.	.	.	475.3	C21H19BrN2O6	102	700	3.1	30	0	6	5	"InChI=1S/C21H19BrN2O6/c1-29-16-9-13-14(10-17(16)30-2)20(25)18-12-5-4-11(24(27)28)8-15(12)21(26)23(19(13)18)7-3-6-22/h4-5,8-10,18-19H,3,6-7H2,1-2H3/t18-,19-/m1/s1"	COC1=C(C=C2C(=C1)[C@@H]3[C@H](C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr)OC	NOFPBGDZYDLRCL-RTBURBONSA-N
DG65074	"2-[(E)-[6-(2,4-dichloro-5-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine"	16099260	CHEMBL216663; NSC722867; NSC-722867	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722867	.	.	.	.	400.2	C13H11Cl2N7O2S	166	571	2.2	25	2	6	3	"InChI=1S/C13H11Cl2N7O2S/c14-7-4-8(15)9(22(23)24)3-6(7)11-10(5-18-20-12(16)17)21-1-2-25-13(21)19-11/h3-5H,1-2H2,(H4,16,17,20)/b18-5+"	C1CSC2=NC(=C(N21)/C=N/N=C(N)N)C3=CC(=C(C=C3Cl)Cl)[N+](=O)[O-]	JIWYWOKVQLKWSD-BLLMUTORSA-N
DG65075	"2-[(E)-[6-(4-chloro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	16099315	NSC728901; NSC-728901	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728901	.	.	.	.	402.3	C13H13Cl2N7O2S	166	539	.	25	3	6	3	"InChI=1S/C13H12ClN7O2S.ClH/c14-8-2-1-7(5-9(8)21(22)23)11-10(6-17-19-12(15)16)20-3-4-24-13(20)18-11;/h1-2,5-6H,3-4H2,(H4,15,16,19);1H/b17-6+;"	C1CSC2=NC(=C(N21)/C=N/N=C(N)N)C3=CC(=C(C=C3)Cl)[N+](=O)[O-].Cl	BICOAXDCPVRLBH-ZDEOBDHWSA-N
DG65076	"E2GG,7-bis[(4-methoxybenzyl)amino]-3-isopropylpyrazolo[4,3-d]py rimidine"	16099748	"SCHEMBL2905972; NSC736739; NSC-736739; E2GG,7-bis[(4-methoxybenzyl)amino]-3-isopropylpyrazolo[4,3-d]py rimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736739	.	.	.	.	432.5	C24H28N6O2	97	551	4.6	32	3	7	9	"InChI=1S/C24H28N6O2/c1-15(2)20-21-22(30-29-20)23(25-13-16-5-9-18(31-3)10-6-16)28-24(27-21)26-14-17-7-11-19(32-4)12-8-17/h5-12,15H,13-14H2,1-4H3,(H,29,30)(H2,25,26,27,28)"	CC(C)C1=C2C(=NN1)C(=NC(=N2)NCC3=CC=C(C=C3)OC)NCC4=CC=C(C=C4)OC	JLVOUKYHCMDIQP-UHFFFAOYSA-N
DG65077	"N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(dimethylamino)benzamide"	16099859	"GSK248233A; CHEMBL220465; SCHEMBL4004560; BDBM14041; Aminofurazanyl-azabenzimidazole 6h; HMS3303H09; HMS3305M21; NSC756160; NSC-756160; NCGC00242006-01; AB01092222-01; N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(dimethylamino)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756160	.	.	.	.	484.5	C25H24N8O3	137	736	2.7	36	2	9	7	"InChI=1S/C25H24N8O3/c1-4-33-20-13-21(27-14-19(20)29-24(33)22-23(26)31-36-30-22)35-18-7-5-6-16(12-18)28-25(34)15-8-10-17(11-9-15)32(2)3/h5-14H,4H2,1-3H3,(H2,26,31)(H,28,34)"	CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)N(C)C	KODFUVBIVXFWPF-UHFFFAOYSA-N
DG65078	2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methylidene]propanedinitrile	16101433	CHEMBL392660; SCHEMBL5158461; NSC749026; NSC-749026	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749026	.	.	.	.	299.3	C19H13N3O	72.6	526	3.8	23	1	3	3	"InChI=1S/C19H13N3O/c1-23-15-8-6-14(7-9-15)19-17(10-13(11-20)12-21)16-4-2-3-5-18(16)22-19/h2-10,22H,1H3"	COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=C(C#N)C#N	KGKWNULLCCJCPE-UHFFFAOYSA-N
DG65079	"2-(4-chlorophenoxy)-1-[5-(2,4-dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-5-hydroxy-4H-pyrazol-1-yl]ethanone"	16111793	CHEMBL388568; NSC742096; NSC-742096	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742096	.	.	.	.	553.8	C25H20Cl3FN2O5	80.6	802	6.1	36	1	7	7	"InChI=1S/C25H20Cl3FN2O5/c1-34-22-8-3-14(9-23(22)35-2)21-12-25(33,17-10-20(29)19(28)11-18(17)27)31(30-21)24(32)13-36-16-6-4-15(26)5-7-16/h3-11,33H,12-13H2,1-2H3"	COC1=C(C=C(C=C1)C2=NN(C(C2)(C3=CC(=C(C=C3Cl)Cl)F)O)C(=O)COC4=CC=C(C=C4)Cl)OC	TUKFWQHOBDWCLJ-UHFFFAOYSA-N
DG65080	NSC735797	16113135	"7-Methoxy-8-{3-[4-(7-metoxy-8-methyl-2-oxo-2H-4-chromenyl)he xahydro-1-pyrazinyl]propoxy}-(11aS)-2,5,11a-tetrahydro-1H-benzo[e] pyrrolo[1,2-a][1,4]diazepine-5-one; NSC735797; NSC-735797; 7-Methoxy-8-{3-[4-(7-metoxy-8-methyl-2-oxo-2H-4-chromenyl)he xahydro-1-pyrazinyl]propoxy}-(11aS)-2,5,11a-tetrahydro-1H- benzo[e] pyrrolo[1,2-a][1,4]diazepine-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735797	.	.	.	.	560.6	C31H36N4O6	93.1	1010	3.1	41	0	9	8	"InChI=1S/C31H36N4O6/c1-20-26(38-2)8-7-22-25(18-29(36)41-30(20)22)34-13-11-33(12-14-34)9-5-15-40-28-17-24-23(16-27(28)39-3)31(37)35-10-4-6-21(35)19-32-24/h7-8,16-19,21H,4-6,9-15H2,1-3H3/t21-/m0/s1"	CC1=C(C=CC2=C1OC(=O)C=C2N3CCN(CC3)CCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC)OC	ZSALECXXXJJTOC-NRFANRHFSA-N
DG65081	NSC735798	16113137	"7-Methoxy-8-{4-[4-(7-metoxy-8-methyl-2-oxo-2H-4-chromenyl) hexahydro-1-pyrazinyl]pentoxy-(11aS)-2,5,11a-tetrahydro 1H-benzo[e] pyrrolo[1,2-a][1,4]diazepine-5-one; NSC735798; NSC-735798; 7-Methoxy-8-{4-[4-(7-metoxy-8-methyl-2-oxo-2H-4-chromenyl) hexahydro-1-pyrazinyl]pentoxy-(11aS)-2,5,11a-tetrahydro 1H-benzo[e] pyrrolo[1,2-a][1,4]diazepine-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735798	.	.	.	.	588.7	C33H40N4O6	93.1	1040	3.8	43	0	9	10	"InChI=1S/C33H40N4O6/c1-22-28(40-2)10-9-24-27(20-31(38)43-32(22)24)36-15-13-35(14-16-36)11-5-4-6-17-42-30-19-26-25(18-29(30)41-3)33(39)37-12-7-8-23(37)21-34-26/h9-10,18-21,23H,4-8,11-17H2,1-3H3/t23-/m0/s1"	CC1=C(C=CC2=C1OC(=O)C=C2N3CCN(CC3)CCCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC)OC	ZJTCPJOZIYGGHO-QHCPKHFHSA-N
DG65082	Golvatinib	16118392	"Golvatinib; 928037-13-2; E-7050; Golvatinib (E7050); E7050; UNII-516Z3YP58E; 1-N'-[2-fluoro-4-[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; 516Z3YP58E; N-[2-Fluoro-4-[[2-[[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl]amino]pyridin-4-yl]oxy]phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; Golvatinib tartrate; N-(2-fluoro-4-(2-(4-(4-methylpiperazin-1-yl)piperidine-1-carboxamido)pyridin-4-yloxy)phenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; Golvatinib (USAN); Golvatinib [USAN:INN]; N-(2-Fluoro-4-{[2-({[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}amino)pyridin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; E7050;Golvatinib; GolvatinibE7050); E 7050; GTPL7956; SCHEMBL1727298; CHEMBL3039525; DTXSID40239155; EX-A830; QCR-198; C33H37F2N7O4; CHEBI:177746; HMS3651J19; AOB87101; BCP06122; BDBM50100615; MFCD22124462; NSC800107; NSC808608; s2859; ZINC43195317; AKOS025404927; CCG-270294; CS-0595; DB11977; NSC-800107; NSC-808608; SB16585; NCGC00386210-06; AC-30125; AS-56994; HY-13068; B1439; FT-0700410; SW219690-1; Y0446; D10224; E 7050;E7050; J-523320; Q27077829; 1,1-Cyclopropanedicarboxamide, N-(2-fluoro-4-((2-(((4-(4-methyl-1-piperazinyl)-1- piperidinyl)carbonyl)amino)-4-pyridinyl)oxy)phenyl)-N'-(4-fluorophenyl)-; 1-N'-[2-luoro-4-[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]pyridin-4-yl]oxyphenyl]-1-N-(4-luorophenyl)cyclopropane-1,1-dicarboxamide; 1-N\\'-[2-fluoro-4-[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; GV0; N'-[2-fluoro-4-[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]pyridin-4-yl]oxyphenyl]-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; N-(2-Fluoro-4-((2-(((4-(4-methylpiperazin-1-yl)piperidin-1-yl)carbonyl)amino)pyridin-4- yl)oxy)phenyl)-N'-(4- fluorophenyl)cyclopropane-1,1-dicarboxamide; N-(2-Fluoro-4-((2-(4-(4-methylpiperazin-1-yl)piperidine-1-carboxamido)pyridin-4-yl)oxy)phenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; N-[2-Fluoro-4-[[2-[[[4-(4-Methylpiperazin-1-yl)piperidin-1-yl]carbonyl]amino]pyridin-4-yl]oxy]phenyl]-n'-(4-Fluorophenyl)cyclopropan e-1,1-dicarboxamide; N~1~-{2-fluoro-4-[(2-{[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino}pyridin-4-yl)oxy]phenyl}-N'~1~-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800107	.	.	.	.	633.7	C33H37F2N7O4	119	1060	4.1	46	3	9	8	"InChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45)"	CN1CCN(CC1)C2CCN(CC2)C(=O)NC3=NC=CC(=C3)OC4=CC(=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	UQRCJCNVNUFYDX-UHFFFAOYSA-N
DG65084	"5-(3-(ethylsulfonyl)phenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide"	16124208	"TAK-901; 934541-31-8; 5-(3-(ethylsulfonyl)phenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide; TAK901; TAK 901; UNII-DM9UIR23R7; DM9UIR23R7; 5-[3-(Ethylsulfonyl)phenyl]-3,8-dimethyl-N-(1-methyl-4-piperidinyl)-9H-pyrido[2,3-b]indole-7-carboxamide; 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide; C28H32N4O3S; 5-[3-(ethanesulfonyl)phenyl]-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide; MLS006010174; SCHEMBL645679; CHEMBL3544932; DTXSID70583097; EX-A874; HMS3656F17; MFCD18782651; NSC762151; NSC803712; s2718; ZINC35310420; AKOS005266666; CCG-269734; CS-0243; DB12756; NSC-762151; NSC-803712; SB19309; NCGC00346645-01; NCGC00346645-03; NCGC00346645-04; NCGC00346645-05; AC-32836; AS-19385; HY-12201; QC-11807; SMR004701282; DB-044972; FT-0674794; SW220051-1; X7460; A844596; J-516603; Q27276478; 5-(4-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methyl-4-piperidyl)-9H-pyrido[2,3-b]indole-7-carboxamide; N-(1-Methyl-4-piperidinyl)-3,8-dimethyl-5-(m-ethylsulfonylphenyl)-9H-pyrido[2,3-b]indole-7-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762151	.	.	.	.	504.6	C28H32N4O3S	104	884	4.5	36	2	5	5	"InChI=1S/C28H32N4O3S/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33)"	CCS(=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C3=C2C4=C(N3)N=CC(=C4)C)C)C(=O)NC5CCN(CC5)C	WKDACQVEJIVHMZ-UHFFFAOYSA-N
DG65085	"2-Amino-9-chloro-3,5-bis(4-chlorophenyl)pyrimido[4,5-c]quinolin-1-one"	16126264	CHEMBL443844; NSC741296; NSC-741296	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741296	.	.	.	.	467.7	C23H13Cl3N4O	71.6	705	5.6	31	1	4	2	"InChI=1S/C23H13Cl3N4O/c24-14-5-1-12(2-6-14)20-21-19(17-11-16(26)9-10-18(17)28-20)23(31)30(27)22(29-21)13-3-7-15(25)8-4-13/h1-11H,27H2"	C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Cl)C4=C2N=C(N(C4=O)N)C5=CC=C(C=C5)Cl)Cl	SCEYVMIYTLSPLR-UHFFFAOYSA-N
DG65086	"2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide"	16126471	CHEMBL231606; NSC732332; NSC-732332	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732332	.	.	.	.	508.2	C20H13BrCl2N4OS	87	607	6.4	29	1	4	5	"InChI=1S/C20H13BrCl2N4OS/c21-14-4-1-12(2-5-14)18-10-27-16(11-29-20(27)25-18)8-19(28)26-24-9-13-3-6-15(22)7-17(13)23/h1-7,9-11H,8H2,(H,26,28)/b24-9+"	C1=CC(=CC=C1C2=CN3C(=CSC3=N2)CC(=O)N/N=C/C4=C(C=C(C=C4)Cl)Cl)Br	OZXYGHZNGFJKNT-PGGKNCGUSA-N
DG65087	"[6-(4-Bromofenil)imidazo[2,1-b]tiyazol-3-il]asetik asid benzilidenhidrazid"	16126511	"CHEMBL397484; NSC732327; NSC-732327; [6-(4-bromofenil)imidazo[2,1-b]tiyazol-3-il]asetik asid benzilidenhidrazid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732327	.	.	.	.	439.3	C20H15BrN4OS	87	534	5.1	27	1	4	5	"InChI=1S/C20H15BrN4OS/c21-16-8-6-15(7-9-16)18-12-25-17(13-27-20(25)23-18)10-19(26)24-22-11-14-4-2-1-3-5-14/h1-9,11-13H,10H2,(H,24,26)/b22-11+"	C1=CC=C(C=C1)/C=N/NC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br	PEPHAWLOSMXGJT-SSDVNMTOSA-N
DG65088	"[6-(4-Bromophenyl)imidazo[2,5-dimethoxybenzylidenehydrazide"	16126515	"NSC732334; NSC-732334; [6-(4-bromophenyl)imidazo[2,5-dimethoxybenzylidenehydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732334	.	.	.	.	499.4	C22H19BrN4O3S	106	634	5	31	1	6	7	"InChI=1S/C22H19BrN4O3S/c1-29-18-7-8-20(30-2)15(9-18)11-24-26-21(28)10-17-13-31-22-25-19(12-27(17)22)14-3-5-16(23)6-4-14/h3-9,11-13H,10H2,1-2H3,(H,26,28)/b24-11+"	COC1=CC(=C(C=C1)OC)/C=N/NC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br	PTQUSZRZEQMSGH-BHGWPJFGSA-N
DG65089	Bis-arylpurine derivatives	16126516	Bis-arylpurine derivatives; CHEMBL397699; NSC733893; NSC-733893	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733893	.	.	.	.	480.1	C18H10Cl4N8	87.2	555	5.2	30	0	6	4	"InChI=1S/C18H10Cl4N8/c19-13-11-15(27-17(21)25-13)29(7-23-11)5-9-3-1-2-4-10(9)6-30-8-24-12-14(20)26-18(22)28-16(12)30/h1-4,7-8H,5-6H2"	C1=CC=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)Cl)CN4C=NC5=C4N=C(N=C5Cl)Cl	NBXZVKDUQLHBDJ-UHFFFAOYSA-N
DG65090	PCI-32765 Racemate	16126651	"PCI-32765 Racemate; 936563-87-0; PCI-32765 (Racemate); Ibrutinib Racemate; Ibrutinib (Racemate); Ibrutinib D5; 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one; PCI32765; US8497277, 4; US8497277, 13; 1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one; 1-[3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one; 1553977-17-5; PCI32765 Racemate; SCHEMBL201642; BDBM1773; CHEMBL3182647; CHEBI:91397; SYN1171; BCPP000127; HMS3295G01; HMS3656P11; HMS3749K05; HMS3750C19; BCP02558; BCP24087; HY-10997A; NSC761910; s2680; AKOS026750227; BCP9001055; CCG-264978; EX-5965; NSC-761910; SB14736; NCGC00387861-02; NCGC00387861-03; AS-16305; DB-049805; DB-079642; FT-0696693; FT-0721194; US8476284, 4; AB01565866_02; A852882; A917174; BRD-A35869383-001-01-9; Q27163257; Ibrutinib Racemate;PCI32765 Racemate;PCI 32765 Racemate; 1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1yl)prop-2-en-1-one; 1-(3-(4-Amino-3-(4-phenyloxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one; 1-[3-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinyl]-2-propen-1-one; PCI 32765;1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one;Ibrutinib (PCI-32765)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761910	.	.	.	.	440.5	C25H24N6O2	99.2	678	3.6	33	1	6	5	"InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)"	C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-UHFFFAOYSA-N
DG65091	2-(4-Chloroanilino)-N'-[(4-acetylaminophenyl)sulphonyl]nicotino hydrazide	16126694	NSC-737147; CHEMBL228208; NSC737147; 2-(4-Chloroanilino)-N'-[(4-acetylaminophenyl)sulphonyl]nicotino hydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737147	.	.	.	.	459.9	C20H18ClN5O4S	138	716	3.2	31	4	7	7	"InChI=1S/C20H18ClN5O4S/c1-13(27)23-15-8-10-17(11-9-15)31(29,30)26-25-20(28)18-3-2-12-22-19(18)24-16-6-4-14(21)5-7-16/h2-12,26H,1H3,(H,22,24)(H,23,27)(H,25,28)"	CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(N=CC=C2)NC3=CC=C(C=C3)Cl	OTNYYPVKFLDBDD-UHFFFAOYSA-N
DG65092	NSC676825	16129719	"3,4,5,16,17,18-Hexahydroxy-8,13-dioxo-11-(3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-8,14,26,31-tetraoxo-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,27,29,33-dodecaen-10-yl)-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene-10-carbaldehyde; 3,4,5,16,17,18-Hexahydroxy-8,13-dioxo-11-(3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-8,14,26,31-tetraoxo-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,27,29,33-dodecaen-10-yl)-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene-10-carbaldehyde; CHEMBL1984101; HSDB 8106; DTXSID40894768; HY-N0063; NSC676825; s9131; CCG-270636; NSC-676825; NCI60_027272; CS-0007111; Q3410841; D-Glucose, cyclic 4,6-(2,2'-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo(1)benzopyrano(5,4,3-cde)(1)benzopyran-1,6-diyl)bis(3,4,5-trihydroxybenzoate)) cyclic 2,3-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate)-, (2(S),4(S,S))-; D-Glucose, cyclic4,6-[(2S,2'S)-2,2'-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1,6-diyl)bis[3,4,5-trihydroxybenzoate]]cyclic2,3-[(S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676825	.	.	.	.	1084.7	C48H28O30	519	2360	1.5	78	17	30	2	"InChI=1S/C48H28O30/c49-5-16-40(76-46(70)9-3-13(52)28(56)32(60)18(9)17-8(44(68)74-16)2-12(51)27(55)31(17)59)39-15(54)6-73-43(67)7-1-11(50)29(57)33(61)19(7)21-25-23-24-26(48(72)78-41(23)37(65)35(21)63)22(36(64)38(66)42(24)77-47(25)71)20-10(45(69)75-39)4-14(53)30(58)34(20)62/h1-5,15-16,39-40,50-66H,6H2"	C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C4C5=C3C(=O)OC6=C(C(=C(C7=C(C(=C(C=C7C(=O)O1)O)O)O)C(=C56)C(=O)O4)O)O)O)O)O)O)O)C8C(OC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)C=O)O	SKNLUADAGHCXKF-UHFFFAOYSA-N
DG65093	"3,10-Dihydroactinomycin D 3-phenyloxazinone"	16129726	"3,10-Dihydroactinomycin D 3-phenyloxazinone; 70570-56-8; NSC339281; ACTINOMYCIN D 3-PHENYLOXAZINONE; NSC 339281; DTXSID50220852; L-Valine, L-threonyl-D-valyl-L-prolyl-N-methylglycyl-N-methyl-, xi-lactone, 1,1'-diamide with 10,12-dimethyl-2-oxo-3-phenyl-2H,6H-1,4-oxazino(3,2-b)phenoxazine-5,7-dicarboxylic acid; L-Valine, L-threonyl-D-valyl-L-prolyl-N-methylglycyl-N-methyl-, (5.fwdarw.1)-lactone, 1,1'-diamide with 10,12-dimethyl-2-oxo-3-phenyl-2H,6H-1,4-oxazino[3,2-b]phenoxazine-5,7-dicarboxylic acid; N5,N7-bis[(3S,6S,7R,10R,16S)-3,10-diisopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-10,12-dimethyl-2-oxo-3-phenyl-6H-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339281	.	.	.	.	1371.5	C70H90N12O17	351	3150	6.1	99	5	19	9	"InChI=1S/C70H90N12O17/c1-32(2)47-66(91)81-28-20-24-42(81)64(89)77(13)30-44(83)79(15)55(34(5)6)69(94)96-38(11)49(62(87)73-47)75-60(85)41-27-26-36(9)57-52(41)72-53-46(54-59(37(10)58(53)98-57)99-68(93)51(71-54)40-22-18-17-19-23-40)61(86)76-50-39(12)97-70(95)56(35(7)8)80(16)45(84)31-78(14)65(90)43-25-21-29-82(43)67(92)48(33(3)4)74-63(50)88/h17-19,22-23,26-27,32-35,38-39,42-43,47-50,55-56,72H,20-21,24-25,28-31H2,1-16H3,(H,73,87)(H,74,88)(H,75,85)(H,76,86)/t38-,39-,42+,43+,47+,48+,49+,50+,55-,56-/m1/s1"	C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(N4)C(=C6C(=C5C)OC(=O)C(=N6)C7=CC=CC=C7)C(=O)N[C@H]8[C@H](OC(=O)[C@H](N(C(=O)CN(C(=O)[C@@H]9CCCN9C(=O)[C@@H](NC8=O)C(C)C)C)C)C(C)C)C	VGEQFUNTHQCTFN-AISCGCKQSA-N
DG65094	NSC629451	16129759	"N-[1-[[6-amino-1-[[(Z)-1-[[2-[[(17Z)-4-(2-amino-2-oxoethyl)-7-benzyl-23-[(4-hydroxyphenyl)methyl]-3,6,9,15,21,24-hexaoxo-12,19-dithia-2,5,8,16,22,25-hexazabicyclo[12.6.5]pentacos-17-en-10-yl]amino]-2-oxoethyl]amino]-1-oxobut-2-en-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]-3-[[12-(4-aminobutyl)-15-[2-[(2-amino-3-methylpentanoyl)amino]propanoylamino]-9-benzyl-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetrazacyclohexadecane-3-carbonyl]amino]-4-methyl-2,9,12-trioxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadecane-7-carboxamide; Gallidermin; NSC629451; CHEMBL1988301"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629451	.	.	.	.	2165.6	C98H141N25O23S4	845	4760	-1.4	150	25	30	36	"InChI=1S/C98H141N25O23S4/c1-9-52(5)78(102)97(145)107-54(7)81(129)118-71-48-149-49-72(121-86(134)63(38-51(3)4)113-87(135)64(39-56-22-13-11-14-23-56)114-85(133)62(112-93(71)141)27-18-20-34-100)95(143)122-79-55(8)150-50-73(109-77(127)44-105-96(144)74-28-21-36-123(74)98(79)146)91(139)106-53(6)80(128)111-61(26-17-19-33-99)84(132)110-60(10-2)82(130)104-43-76(126)108-69-47-148-46-68-83(131)103-35-37-147-45-70(94(142)116-66(89(137)119-68)41-58-29-31-59(124)32-30-58)120-90(138)67(42-75(101)125)117-88(136)65(115-92(69)140)40-57-24-15-12-16-25-57/h10-16,22-25,29-32,35,37,51-55,61-74,78-79,124H,9,17-21,26-28,33-34,36,38-50,99-100,102H2,1-8H3,(H2,101,125)(H,103,131)(H,104,130)(H,105,144)(H,106,139)(H,107,145)(H,108,126)(H,109,127)(H,110,132)(H,111,128)(H,112,141)(H,113,135)(H,114,133)(H,115,140)(H,116,142)(H,117,136)(H,118,129)(H,119,137)(H,120,138)(H,121,134)(H,122,143)/b37-35-,60-10-"	CCC(C)C(C(=O)NC(C)C(=O)NC1CSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCCCN)CC2=CC=CC=C2)CC(C)C)C(=O)NC3C(SCC(NC(=O)CNC(=O)C4CCCN4C3=O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)N/C(=C\\C)/C(=O)NCC(=O)NC5CSCC6C(=O)N/C=C\\SCC(C(=O)NC(C(=O)N6)CC7=CC=C(C=C7)O)NC(=O)C(NC(=O)C(NC5=O)CC8=CC=CC=C8)CC(=O)N)C)N	AHMZTHYNOXWCBS-JVRNKKCXSA-N
DG65095	NSC633248	16129764	"3-[5-[4-[4-[2-(3-Cyanophenyl)-1,3-dioxo-4,6,7-triphenyl-isoindolin-5-yl]phenyl]sulfanylphenyl]-1,3-dioxo-4,6,7-triphenyl-isoindolin-2-yl]benzonitrile; NSC633248; CHEMBL1964492; NSC-633248; NCI60_011036; 3,6'-(4,4'-thiobis(4,1-phenylene))bis(1,3-dioxo-4,5,7-triphenylisoindoline-6,2-diyl))dibenzonitrile; 3-(5-(4-((4-(2-(3-Cyanophenyl)-1,3-dioxo-4,6,7-triphenyl-2,3-dihydro-1H-isoindol-5-yl)phenyl)thio)phenyl)-1,3-dioxo-4,6,7-triphenyl-1,3-dihydro-2H-isoindol-2-yl)benzonitrile; 3-[5-[4-[4-[2-(3-cyanophenyl)-1,3-dioxo-4,6,7-triphenyl-isoindolin-5-yl]phenyl]sulfanylphenyl]-1,3-dioxo-4,6,7-triphenyl-isoindolin-2-yl]benzonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633248	.	.	.	.	1135.3	C78H46N4O4S	148	2290	17.5	87	0	7	12	InChI=1S/C78H46N4O4S/c79-47-49-21-19-35-59(45-49)81-75(83)71-67(53-27-11-3-12-28-53)63(51-23-7-1-8-24-51)65(69(73(71)77(81)85)55-31-15-5-16-32-55)57-37-41-61(42-38-57)87-62-43-39-58(40-44-62)66-64(52-25-9-2-10-26-52)68(54-29-13-4-14-30-54)72-74(70(66)56-33-17-6-18-34-56)78(86)82(76(72)84)60-36-20-22-50(46-60)48-80/h1-46H	C1=CC=C(C=C1)C2=C(C3=C(C(=C2C4=CC=C(C=C4)SC5=CC=C(C=C5)C6=C(C7=C(C(=C6C8=CC=CC=C8)C9=CC=CC=C9)C(=O)N(C7=O)C1=CC=CC(=C1)C#N)C1=CC=CC=C1)C1=CC=CC=C1)C(=O)N(C3=O)C1=CC=CC(=C1)C#N)C1=CC=CC=C1	VEPYENJITXQEIM-UHFFFAOYSA-N
DG65096	NSC633251	16129766	"2-(3-Ethynylphenyl)-5-[4-[[4-[2-(3-ethynylphenyl)-1,3-dioxo-4,6,7-triphenyl-isoindolin-5-yl]phenyl]methyl]phenyl]-4,6,7-triphenyl-isoindoline-1,3-dione; NSC633251; CHEMBL2000509; NSC-633251; NCI60_011039; 2-(3-Ethynylphenyl)-5-(4-(4-(2-(3-ethynylphenyl)-1,3-dioxo-4,6,7-triphenyl-2,3-dihydro-1H-isoindol-5-yl)benzyl)phenyl)-4,6,7-triphenyl-1H-isoindole-1,3(2H)-dione; 2-(3-ethynylphenyl)-5-[4-[[4-[2-(3-ethynylphenyl)-1,3-dioxo-4,6,7-triphenyl-isoindolin-5-yl]phenyl]methyl]phenyl]-4,6,7-triphenyl-isoindoline-1,3-dione; 6,4'-methylenebis(4,1-phenylene))bis(2-(3-ethynylphenyl)-4,5,7-triphenylisoindoline-1,3-dione)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633251	.	.	.	.	1115.3	C81H50N2O4	74.8	2280	18.4	87	0	4	14	"InChI=1S/C81H50N2O4/c1-3-52-25-23-39-64(50-52)82-78(84)74-70(58-31-15-7-16-32-58)66(56-27-11-5-12-28-56)68(72(76(74)80(82)86)60-35-19-9-20-36-60)62-45-41-54(42-46-62)49-55-43-47-63(48-44-55)69-67(57-29-13-6-14-30-57)71(59-33-17-8-18-34-59)75-77(73(69)61-37-21-10-22-38-61)81(87)83(79(75)85)65-40-24-26-53(4-2)51-65/h1-2,5-48,50-51H,49H2"	C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)CC7=CC=C(C=C7)C8=C(C9=C(C(=C8C1=CC=CC=C1)C1=CC=CC=C1)C(=O)N(C9=O)C1=CC=CC(=C1)C#C)C1=CC=CC=C1)C1=CC=CC=C1	PCUGFOAIDOVAPQ-UHFFFAOYSA-N
DG65097	"tert-butyl 2-[4-[bis[(2E)-2-methoxyimino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-5-oxo-1,2,4-triazol-1-yl]acetate"	16129786	"NSC660854; CHEMBL1971514; NSC-660854; tert-Butyl (4-(bis((methoxyimino)(2-(tritylamino)-1,3-thiazol-4-yl)acetyl)amino)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate; tert-butyl 2-[4-[bis[(2E)-2-methoxyimino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-5-oxo-1,2,4-triazol-1-yl]acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660854	.	.	.	.	1065.2	C58H52N10O7S2	249	1870	12.9	77	2	16	20	"InChI=1S/C58H52N10O7S2/c1-56(2,3)75-48(69)36-66-55(72)67(39-59-66)68(51(70)49(64-73-4)46-37-76-53(60-46)62-57(40-24-12-6-13-25-40,41-26-14-7-15-27-41)42-28-16-8-17-29-42)52(71)50(65-74-5)47-38-77-54(61-47)63-58(43-30-18-9-19-31-43,44-32-20-10-21-33-44)45-34-22-11-23-35-45/h6-35,37-39H,36H2,1-5H3,(H,60,62)(H,61,63)/b64-49+,65-50+"	CC(OC(=O)CN1N=CN(C1=O)N(C(=O)/C(=N/OC)/C2=CSC(=N2)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)/C(=N/OC)/C6=CSC(=N6)NC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)(C)C	DTSWFOVEOZBVFW-FSIJVJSDSA-N
DG65098	NSC672463	16129803	"Threoninamide, N-[(phenylmethoxy)carbonyl]phenylalanyl-S-(acetylmethylamino)cysteinylphenylalanyl-1-formyltryptophyl-N~6~-[(phenylmethoxy)carbonyl]lysyl-O-(phenylmethyl)threonyl-S-(acetylmethylamino)cysteinyl-O-(phenylmethyl)-; NSC672463; CHEMBL1995747; NSC-672463; NCI60_025755; Threoninamide, N-[(phenylmethoxy)carbonyl]phenylalanyl-S-(acetylmethylamino)cysteinylphenylalanyl-1-formyltryptophyl-N~6~-[(phenylmethoxy)carbonyl]lysyl-O-(phenylmethyl)threonyl-S-(acetylmethylamino)cysteinyl-O-(phenylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672463	.	.	.	.	1652.9	C86H101N13O17S2	455	3180	7.6	118	10	19	47	"InChI=1S/C86H101N13O17S2/c1-56(113-49-62-33-17-9-18-34-62)75(77(87)103)95-83(109)73(54-118-98(6)59(4)102)93-84(110)76(57(2)114-50-63-35-19-10-20-36-63)96-78(104)68(42-27-28-44-88-85(111)115-51-64-37-21-11-22-38-64)89-81(107)71(47-66-48-99(55-100)74-43-26-25-41-67(66)74)91-79(105)69(45-60-29-13-7-14-30-60)90-82(108)72(53-117-97(5)58(3)101)92-80(106)70(46-61-31-15-8-16-32-61)94-86(112)116-52-65-39-23-12-24-40-65/h7-26,29-41,43,48,55-57,68-73,75-76H,27-28,42,44-47,49-54H2,1-6H3,(H2,87,103)(H,88,111)(H,89,107)(H,90,108)(H,91,105)(H,92,106)(H,93,110)(H,94,112)(H,95,109)(H,96,104)"	CC(C(C(=O)N)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(C(C)OCC1=CC=CC=C1)NC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CN(C4=CC=CC=C43)C=O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(CC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7)OCC8=CC=CC=C8	YEHRJZGXYYZHST-UHFFFAOYSA-N
DG65099	NSC672464	16129804	"Benzyl 2-((4-(((1-(aminocarbonyl)-2-(benzyloxy)propyl)amino)carbonyl)-16-benzyl-10-(4-(((benzyloxy)carbonyl)amino)butyl)-7-(1-(benzyloxy)ethyl)-13-((1-formyl-1H-indol-3-yl)methyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-1-benzyl-2-oxoethylcarbamate; NSC672464; CHEMBL2007087; NSC-672464; NCI60_025756; Benzyl 2-((4-(((1-(aminocarbonyl)-2-(benzyloxy)propyl)amino)carbonyl)-16-benzyl-10-(4-(((benzyloxy)carbonyl)amino)butyl)-7-(1-(benzyloxy)ethyl)-13-((1-formyl-1H-indol-3-yl)methyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-1-benzyl-2-oxoethylcarbamate; benzyl N-[1-benzyl-2-[[16-benzyl-4-[(2-benzyloxy-1-carbamoyl-propyl)carbamoyl]-10-[4-(benzyloxycarbonylamino)butyl]-7-(1-benzyloxyethyl)-13-[(1-formylindol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-2-oxo-ethyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672464	.	.	.	.	1508.8	C80H89N11O15S2	415	2850	8.2	108	10	17	31	"InChI=1S/C80H89N11O15S2/c1-52(103-45-56-29-13-5-14-30-56)69(71(81)93)89-77(99)67-50-108-107-49-66(86-74(96)64(42-55-27-11-4-12-28-55)88-80(102)106-48-59-35-19-8-20-36-59)76(98)84-63(41-54-25-9-3-10-26-54)73(95)85-65(43-60-44-91(51-92)68-39-22-21-37-61(60)68)75(97)83-62(38-23-24-40-82-79(101)105-47-58-33-17-7-18-34-58)72(94)90-70(78(100)87-67)53(2)104-46-57-31-15-6-16-32-57/h3-22,25-37,39,44,51-53,62-67,69-70H,23-24,38,40-43,45-50H2,1-2H3,(H2,81,93)(H,82,101)(H,83,97)(H,84,98)(H,85,95)(H,86,96)(H,87,100)(H,88,102)(H,89,99)(H,90,94)"	CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCNC(=O)OCC2=CC=CC=C2)CC3=CN(C4=CC=CC=C43)C=O)CC5=CC=CC=C5)NC(=O)C(CC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7)C(=O)NC(C(C)OCC8=CC=CC=C8)C(=O)N)OCC9=CC=CC=C9	BLKXLTXEQJHNQN-UHFFFAOYSA-N
DG65100	"N-phenyl-4-[(1Z,4Z,9Z,15Z)-10,15,20-tris[4-(phenylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide"	16129816	"NSC681456; CHEMBL1977037; NSC-681456; NCI60_029082; 4,4',4'',4'''-[(2Z,6Z,11Z,17Z)-21,22,23,24-Tetraazapentacyclo[16.2.1.1~3,6~.1~8,11~.1~13,16~]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaene-2,7,12,17-tetrayl]tetrakis(N-phenylbenzenesulfonamide); N-phenyl-4-[(1Z,4Z,9Z,15Z)-10,15,20-tris[4-(phenylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681456	.	.	.	.	1235.4	C68H50N8O8S4	276	2320	12.5	88	6	14	16	"InChI=1S/C68H50N8O8S4/c77-85(78,73-49-13-5-1-6-14-49)53-29-21-45(22-30-53)65-57-37-39-59(69-57)66(46-23-31-54(32-24-46)86(79,80)74-50-15-7-2-8-16-50)61-41-43-63(71-61)68(48-27-35-56(36-28-48)88(83,84)76-52-19-11-4-12-20-52)64-44-42-62(72-64)67(60-40-38-58(65)70-60)47-25-33-55(34-26-47)87(81,82)75-51-17-9-3-10-18-51/h1-44,69,72-76H"	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=C4C=CC(=C(C5=NC(=C(C6=CC=C(N6)C(=C7C=CC3=N7)C8=CC=C(C=C8)S(=O)(=O)NC9=CC=CC=C9)C1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=C1)C=C5)C1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=C1)N4	OYXDAAHXOLWHHI-UHFFFAOYSA-N
DG65101	NSC695174	16129828	"N-(6,10-Bis((2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl)((4-methylphenyl)sulfonyl)amino)-12c-methyl-12cH-4,8,12-trioxadibenzo[cd,mn]pyren-2-yl)-N-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl)-4-methylbenzenesulfonamide; NSC695174; CHEMBL1981699; NSC-695174; NCI60_034053; N-(6,10-Bis((2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl)((4-methylphenyl)sulfonyl)amino)-12c-methyl-12cH-4,8,12-trioxadibenzo[cd,mn]pyren-2-yl)-N-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl)-4-methylbenzenesulfonamide; N-[bis[2-(1,3-dioxoisoindolin-2-yl)ethyl-(p-tolylsulfonyl)amino]-methyl-[ ]yl]-N-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-4-methyl-benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695174	.	.	.	.	1327.4	C71H54N6O15S3	277	2870	9.9	95	0	18	18	"InChI=1S/C71H54N6O15S3/c1-41-17-23-47(24-18-41)93(84,85)75(32-29-72-65(78)50-11-5-6-12-51(50)66(72)79)44-35-56-62-57(36-44)91-59-38-46(77(95(88,89)49-27-21-43(3)22-28-49)34-31-74-69(82)54-15-9-10-16-55(54)70(74)83)40-61-64(59)71(62,4)63-58(90-56)37-45(39-60(63)92-61)76(94(86,87)48-25-19-42(2)20-26-48)33-30-73-67(80)52-13-7-8-14-53(52)68(73)81/h5-28,35-40H,29-34H2,1-4H3"	CC1=CC=C(C=C1)S(=O)(=O)N(CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC5=C6C(=C4)OC7=CC(=CC8=C7C6(C9=C(O8)C=C(C=C9O5)N(CCN1C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)C1=CC=C(C=C1)C)C)N(CCN1C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)C1=CC=C(C=C1)C	GVMDNIZHNPOALQ-UHFFFAOYSA-N
DG65102	"2-Naphthalenecarboxylic acid,4'-methylenebis(3-hydroxy-, bis[tris(4-aminophenyl)methyl] ester"	16129848	"2-Naphthalenecarboxylic acid,4'-methylenebis(3-hydroxy-, bis[tris(4-aminophenyl)methyl] ester; 2-Naphthalenecarboxylic acid,4'-methylenebis[3-hydroxy-, bis[tris(4-aminophenyl)methyl] ester; NSC306107; ZINC150393390; NSC-306107"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	306107	.	.	.	.	963.1	C61H50N6O6	249	1540	11.7	73	8	12	14	"InChI=1S/C61H50N6O6/c62-44-21-9-38(10-22-44)60(39-11-23-45(63)24-12-39,40-13-25-46(64)26-14-40)72-58(70)54-33-36-5-1-3-7-50(36)52(56(54)68)35-53-51-8-4-2-6-37(51)34-55(57(53)69)59(71)73-61(41-15-27-47(65)28-16-41,42-17-29-48(66)30-18-42)43-19-31-49(67)32-20-43/h1-34,68-69H,35,62-67H2"	C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)OC(C5=CC=C(C=C5)N)(C6=CC=C(C=C6)N)C7=CC=C(C=C7)N)O)O)C(=O)OC(C8=CC=C(C=C8)N)(C9=CC=C(C=C9)N)C1=CC=C(C=C1)N	GJFCCJVMOXKTOV-UHFFFAOYSA-N
DG65103	NSC655525	16129877	"[7-(3,5-dihydroxyphenyl)-1-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5-hydroxy-2,6-bis(4-hydroxyphenyl)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]-(4-hydroxyphenyl)methanone; CHEMBL1988091; NSC655525; NSC-655525; NCI60_019297"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655525	.	.	.	.	922.9	C56H42O13	238	1700	8.9	69	10	13	8	"InChI=1S/C56H42O13/c57-32-9-1-26(2-10-32)47-48(31-19-38(63)22-39(64)20-31)53(54(67)27-3-11-33(58)12-4-27)52-50(47)43(66)25-45-51(52)49(56(69-45)29-7-15-35(60)16-8-29)40-23-41-44(24-42(40)65)68-55(28-5-13-34(59)14-6-28)46(41)30-17-36(61)21-37(62)18-30/h1-25,46-49,53,55-66H"	C1=CC(=CC=C1C2C(C(C3=C2C(=CC4=C3C(C(O4)C5=CC=C(C=C5)O)C6=CC7=C(C=C6O)OC(C7C8=CC(=CC(=C8)O)O)C9=CC=C(C=C9)O)O)C(=O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O	JQKTUYJRNDDQHK-UHFFFAOYSA-N
DG65104	Tannic acid (TN)	16129878	"TANNIC ACID; Gallotannin; Tannic Acid, A; Tannic acid (TN); NSC656273; NSC-656273; Tannin, Gallotanin; Tannic acid (JP17/USP); SCHEMBL743760; Tannic Acid (Industrial Grade); BDBM92479; NSC5031; NSC-5031; AKOS015896274; NCGC00187589-01; NCGC00187589-02; FT-0653900; D01959; D-Glucopyranose,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate]; 6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol pentakis[3-(3,4,5-trihydroxybenzoyloxy)-4,5-dihydroxybenzoate]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5031	.	.	.	.	1701.2	C76H52O46	778	3570	6.2	122	25	46	31	"InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2"	C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O	LRBQNJMCXXYXIU-UHFFFAOYSA-N
DG65105	NSC668432	16129895	"methyl 2-[[2-[[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate; NSC668432; CHEMBL1982649; NSC-668432; NCI60_023872; methyl 2-[[2-[[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate; Tryptophan, N-[(1,1-dimethylethoxy)carbonyl]tryptophyltryptophyltryptophyltryptophyltryptophyl-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668432	.	.	.	.	1249.4	C72H72N12O9	305	2570	10.3	93	12	9	27	"InChI=1S/C72H72N12O9/c1-72(2,3)93-71(91)84-63(33-45-39-77-57-27-15-9-21-51(45)57)69(89)82-61(31-43-37-75-55-25-13-7-19-49(43)55)67(87)80-59(29-41-35-73-53-23-11-5-17-47(41)53)65(85)79-60(30-42-36-74-54-24-12-6-18-48(42)54)66(86)81-62(32-44-38-76-56-26-14-8-20-50(44)56)68(88)83-64(70(90)92-4)34-46-40-78-58-28-16-10-22-52(46)58/h5-28,35-40,59-64,73-78H,29-34H2,1-4H3,(H,79,85)(H,80,87)(H,81,86)(H,82,89)(H,83,88)(H,84,91)"	CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)NC(CC9=CNC1=CC=CC=C19)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC	WHKDCRGQXMRNCR-UHFFFAOYSA-N
DG65106	NSC668473	16129896	"2-amino-1-N,9-N-bis(3-benzyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide; CHEMBL2002528; NSC668473; NSC-668473; NCI60_023908"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668473	.	.	.	.	1351.5	C70H86N12O16	356	3240	5	98	5	18	10	"InChI=1S/C70H86N12O16/c1-35(2)56-69(94)96-39(7)52(63(88)72-44(31-41-21-15-13-16-22-41)65(90)81-29-19-25-46(81)67(92)77(9)33-48(83)79(56)11)75-61(86)43-28-27-37(5)59-54(43)74-55-50(51(71)58(85)38(6)60(55)98-59)62(87)76-53-40(8)97-70(95)57(36(3)4)80(12)49(84)34-78(10)68(93)47-26-20-30-82(47)66(91)45(73-64(53)89)32-42-23-17-14-18-24-42/h13-18,21-24,27-28,35-36,39-40,44-47,52-53,56-57H,19-20,25-26,29-34,71H2,1-12H3,(H,72,88)(H,73,89)(H,75,86)(H,76,87)"	CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)CC3=CC=CC=C3)NC(=O)C4=C5C(=C(C=C4)C)OC6=C(C(=O)C(=C(C6=N5)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)CC9=CC=CC=C9)C)C)C(C)C)C)N)C	GVQMDKCFILZNNK-UHFFFAOYSA-N
DG65107	NSC668475	16129898	"2-amino-1-N,9-N-bis[3-[(4-methoxyphenyl)methyl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide; CHEMBL1975013; NSC668475; NSC-668475; NCI60_023910"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668475	.	.	.	.	1411.6	C72H90N12O18	374	3360	5	102	5	20	12	"InChI=1S/C72H90N12O18/c1-35(2)58-71(96)100-39(7)54(65(90)74-46(31-41-20-24-43(98-13)25-21-41)67(92)83-29-15-17-48(83)69(94)79(9)33-50(85)81(58)11)77-63(88)45-28-19-37(5)61-56(45)76-57-52(53(73)60(87)38(6)62(57)102-61)64(89)78-55-40(8)101-72(97)59(36(3)4)82(12)51(86)34-80(10)70(95)49-18-16-30-84(49)68(93)47(75-66(55)91)32-42-22-26-44(99-14)27-23-42/h19-28,35-36,39-40,46-49,54-55,58-59H,15-18,29-34,73H2,1-14H3,(H,74,90)(H,75,91)(H,77,88)(H,78,89)"	CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)CC3=CC=C(C=C3)OC)NC(=O)C4=C5C(=C(C=C4)C)OC6=C(C(=O)C(=C(C6=N5)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)CC9=CC=C(C=C9)OC)C)C)C(C)C)C)N)C	CMDXFGUFUFEHBG-UHFFFAOYSA-N
DG65108	NSC671032	16129905	"2-amino-1-N,9-N-bis[10-(1H-imidazol-5-ylmethyl)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide; CHEMBL1998856; NSC671032; NSC-671032; NCI60_025038"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671032	.	.	.	.	1331.4	C64H82N16O16	413	3230	1.4	96	7	20	10	"InChI=1S/C64H82N16O16/c1-29(2)46-61(90)79-19-13-15-38(79)59(88)75(9)25-42(81)77(11)40(21-35-23-66-27-68-35)63(92)94-33(7)48(57(86)71-46)73-55(84)37-18-17-31(5)53-50(37)70-51-44(45(65)52(83)32(6)54(51)96-53)56(85)74-49-34(8)95-64(93)41(22-36-24-67-28-69-36)78(12)43(82)26-76(10)60(89)39-16-14-20-80(39)62(91)47(30(3)4)72-58(49)87/h17-18,23-24,27-30,33-34,38-41,46-49H,13-16,19-22,25-26,65H2,1-12H3,(H,66,68)(H,67,69)(H,71,86)(H,72,87)(H,73,84)(H,74,85)"	CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)CC3=CN=CN3)C)C)C(C)C)NC(=O)C4=C5C(=C(C=C4)C)OC6=C(C(=O)C(=C(C6=N5)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)C(C)C)C)C)CC9=CN=CN9)C)N)C	CFTOSEOAKWYLNM-UHFFFAOYSA-N
DG65109	NSC674019	16129908	"2-chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-[[5-(naphthalen-2-ylamino)-1H-1,2,4-triazol-3-yl]sulfamoyl]phenyl]disulfanyl]-N-(4-chlorophenyl)-5-[[5-(naphthalen-2-ylamino)-1H-1,2,4-triazol-3-yl]sulfamoyl]benzamide; CHEMBL1981149; NSC674019; NSC-674019; NCI60_026191"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674019	.	.	.	.	1169	C50H34Cl4N12O6S4	325	2020	12.3	76	8	16	17	"InChI=1S/C50H34Cl4N12O6S4/c51-31-11-17-33(18-12-31)55-45(67)37-23-43(75(69,70)65-49-59-47(61-63-49)57-35-15-9-27-5-1-3-7-29(27)21-35)41(25-39(37)53)73-74-42-26-40(54)38(46(68)56-34-19-13-32(52)14-20-34)24-44(42)76(71,72)66-50-60-48(62-64-50)58-36-16-10-28-6-2-4-8-30(28)22-36/h1-26H,(H,55,67)(H,56,68)(H3,57,59,61,63,65)(H3,58,60,62,64,66)"	C1=CC=C2C=C(C=CC2=C1)NC3=NC(=NN3)NS(=O)(=O)C4=C(C=C(C(=C4)C(=O)NC5=CC=C(C=C5)Cl)Cl)SSC6=C(C=C(C(=C6)Cl)C(=O)NC7=CC=C(C=C7)Cl)S(=O)(=O)NC8=NNC(=N8)NC9=CC1=CC=CC=C1C=C9	ZOUSHUMEZOABDB-UHFFFAOYSA-N
DG65110	NSC679194	16129915	"5,17,29-Tritert-butyl-38,40,42-trimethoxy-37,39,41-tris[(3-nitrophenyl)methoxy]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene; CHEMBL1972392; NSC679194; NSC-679194; NCI60_028313"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	679194	.	.	.	.	1252.5	C78H81N3O12	193	2010	20.3	93	0	12	15	"InChI=1S/C78H81N3O12/c1-76(2,3)64-40-58-34-52-22-16-24-54(73(52)91-46-49-19-13-28-67(31-49)79(82)83)36-60-42-65(77(4,5)6)44-62(71(60)89-11)38-56-26-18-27-57(75(56)93-48-51-21-15-30-69(33-51)81(86)87)39-63-45-66(78(7,8)9)43-61(72(63)90-12)37-55-25-17-23-53(35-59(41-64)70(58)88-10)74(55)92-47-50-20-14-29-68(32-50)80(84)85/h13-33,40-45H,34-39,46-48H2,1-12H3"	CC(C)(C)C1=CC2=C(C(=C1)CC3=C(C(=CC=C3)CC4=C(C(=CC(=C4)C(C)(C)C)CC5=CC=CC(=C5OCC6=CC(=CC=C6)[N+](=O)[O-])CC7=CC(=CC(=C7OC)CC8=CC=CC(=C8OCC9=CC(=CC=C9)[N+](=O)[O-])C2)C(C)(C)C)OC)OCC1=CC(=CC=C1)[N+](=O)[O-])OC	MBMPGQUCEHEMIL-UHFFFAOYSA-N
DG65111	NSC705435	16129931	"[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl] 4-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]iminomethyl]benzoate; CHEMBL1999055; NSC705435; NSC-705435; NCI60_037638"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705435	.	.	.	.	1367.4	C76H74N2O22	323	3110	6.8	100	4	23	22	"InChI=1S/C76H74N2O22/c1-38-54(33-76(89)67(99-70(86)44-22-16-11-17-23-44)65-74(6,55(81)32-56-75(65,36-93-56)100-40(3)80)66(83)63(96-39(2)79)59(38)73(76,4)5)97-72(88)64(60(42-18-12-9-13-19-42)78-68(84)43-20-14-10-15-21-43)98-69(85)45-26-24-41(25-27-45)34-77-61-48-31-51-50(94-37-95-51)30-47(48)57(58-49(61)35-92-71(58)87)46-28-52(90-7)62(82)53(29-46)91-8/h9-31,34,49,54-58,60-61,63-65,67,81-82,89H,32-33,35-37H2,1-8H3,(H,78,84)/t49-,54-,55-,56+,57+,58-,60-,61+,63+,64+,65-,67-,74+,75-,76+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)C7=CC=C(C=C7)C=N[C@H]8[C@H]9COC(=O)[C@@H]9[C@@H](C1=CC2=C(C=C81)OCO2)C1=CC(=C(C(=C1)OC)O)OC)O)OC(=O)C1=CC=CC=C1)(CO4)OC(=O)C)O)C)OC(=O)C	NVWULXHPCFPAAV-VKGQPIDTSA-N
DG65112	NSC705436	16129932	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-15-[(2R,3S)-2-[4-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]iminomethyl]benzoyl]oxy-3-benzamido-3-phenylpropanoyl]oxy-4,12-diacetyloxy-2-benzoyloxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] 4-[[(5S,9R)-9-(4-hydroxy-3-methoxy-5-methylphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]iminomethyl]benzoate; CHEMBL1991820; NSC705436; NSC-705436; NCI60_037639"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705436	.	.	.	.	1864.9	C105H97N3O29	416	4510	11.4	137	4	31	29	"InChI=1S/C105H97N3O29/c1-51-34-62(35-74(122-8)88(51)111)80-64-38-70-72(130-49-128-70)40-66(64)86(68-46-125-99(118)82(68)80)106-44-55-26-30-60(31-27-55)96(115)134-78-42-79-104(48-127-79,137-54(4)110)92-94(136-98(117)59-24-18-13-19-25-59)105(121)43-77(52(2)84(102(105,5)6)90(132-53(3)109)93(113)103(78,92)7)133-101(120)91(85(57-20-14-11-15-21-57)108-95(114)58-22-16-12-17-23-58)135-97(116)61-32-28-56(29-33-61)45-107-87-67-41-73-71(129-50-131-73)39-65(67)81(83-69(87)47-126-100(83)119)63-36-75(123-9)89(112)76(37-63)124-10/h11-41,44-45,68-69,77-83,85-87,90-92,94,111-112,121H,42-43,46-50H2,1-10H3,(H,108,114)/t68 ,69-,77-,78-,79+,80+,81+,82 ,83-,85-,86+,87+,90+,91+,92-,94-,103+,104-,105+/m0/s1"	CC1=CC(=CC(=C1O)OC)[C@H]2C3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)N=CC6=CC=C(C=C6)C(=O)O[C@H]7C[C@@H]8[C@@](CO8)([C@@H]9[C@@]7(C(=O)[C@@H](C1=C([C@H](C[C@@]([C@H]9OC(=O)C2=CC=CC=C2)(C1(C)C)O)OC(=O)[C@@H]([C@H](C1=CC=CC=C1)NC(=O)C1=CC=CC=C1)OC(=O)C1=CC=C(C=C1)C=N[C@H]1[C@H]2COC(=O)[C@@H]2[C@@H](C2=CC3=C(C=C12)OCO3)C1=CC(=C(C(=C1)OC)O)OC)C)OC(=O)C)C)OC(=O)C	GNNDBXCALCOABJ-WVQIMNRWSA-N
DG65113	NSC705437	16129933	"[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl] 4-[[4-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]iminomethyl]benzoate; CHEMBL1970035; NSC705437; NSC-705437; NCI60_037640"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705437	.	.	.	.	1458.5	C82H79N3O22	335	3310	8.3	107	5	24	24	"InChI=1S/C82H79N3O22/c1-42-60(37-82(96)73(106-76(93)48-22-16-11-17-23-48)71-80(6,61(88)36-62-81(71,40-100-62)107-44(3)87)72(90)69(103-43(2)86)65(42)79(82,4)5)104-78(95)70(66(46-18-12-9-13-19-46)85-74(91)47-20-14-10-15-21-47)105-75(92)49-26-24-45(25-27-49)38-83-51-28-30-52(31-29-51)84-67-54-35-57-56(101-41-102-57)34-53(54)63(64-55(67)39-99-77(64)94)50-32-58(97-7)68(89)59(33-50)98-8/h9-35,38,55,60-64,66-67,69-71,73,84,88-89,96H,36-37,39-41H2,1-8H3,(H,85,91)/t55-,60-,61-,62+,63+,64-,66-,67+,69+,70+,71-,73-,80+,81-,82+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)C7=CC=C(C=C7)C=NC8=CC=C(C=C8)N[C@H]9[C@H]1COC(=O)[C@@H]1[C@@H](C1=CC2=C(C=C91)OCO2)C1=CC(=C(C(=C1)OC)O)OC)O)OC(=O)C1=CC=CC=C1)(CO4)OC(=O)C)O)C)OC(=O)C	SSPVPDMBKRINOE-DNZTZBJBSA-N
DG65114	GemMP[10]	16129935	GemMP[10]; Gemcitabinemonophosphate 10; CHEMBL1996442; NSC708070; NSC-708070; NCI60_038317	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708070	.	.	.	.	3036.6	C90H92F20N30O49P9+9	1040	8350	-10.9	198	12	69	56	"InChI=1S/C90H83F20N30O49P9/c91-81(92)51(142)32(172-61(81)131-11-1-41(111)121-71(131)143)22-162-190(153)182-53-34(174-63(83(53,95)96)133-13-3-43(113)123-73(133)145)24-164-192(155)184-55-36(176-65(85(55,99)100)135-15-5-45(115)125-75(135)147)26-166-194(157)186-57-38(178-67(87(57,103)104)137-17-7-47(117)127-77(137)149)28-168-196(159)188-59-40(180-69(89(59,107)108)139-19-9-49(119)129-79(139)151)30-170-198(161)189-60-39(179-70(90(60,109)110)140-20-10-50(120)130-80(140)152)29-169-197(160)187-58-37(177-68(88(58,105)106)138-18-8-48(118)128-78(138)150)27-167-195(158)185-56-35(175-66(86(56,101)102)136-16-6-46(116)126-76(136)148)25-165-193(156)183-54-33(173-64(84(54,97)98)134-14-4-44(114)124-74(134)146)23-163-191(154)181-52-31(21-141)171-62(82(52,93)94)132-12-2-42(112)122-72(132)144/h1-20,31-40,51-70,141-142H,21-30H2,(H11-9,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,143,144,145,146,147,148,149,150,151,152)/p+9"	C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO[P+](=O)OC3C(OC(C3(F)F)N4C=CC(=NC4=O)N)CO[P+](=O)OC5C(OC(C5(F)F)N6C=CC(=NC6=O)N)CO[P+](=O)OC7C(OC(C7(F)F)N8C=CC(=NC8=O)N)CO[P+](=O)OC9C(OC(C9(F)F)N1C=CC(=NC1=O)N)CO[P+](=O)OC1C(OC(C1(F)F)N1C=CC(=NC1=O)N)CO[P+](=O)OC1C(OC(C1(F)F)N1C=CC(=NC1=O)N)CO[P+](=O)OC1C(OC(C1(F)F)N1C=CC(=NC1=O)N)CO[P+](=O)OC1C(OC(C1(F)F)N1C=CC(=NC1=O)N)CO[P+](=O)OC1C(OC(C1(F)F)N1C=CC(=NC1=O)N)CO)O)(F)F	YGWQAZCOAPWRBC-UHFFFAOYSA-W
DG65115	NSC711891	16129940	(5Z)-3-[4-benzoyl-2-[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one; CHEMBL1987987; NSC711891; NSC-711891	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711891	.	.	.	.	858.9	C57H38N4O5	101	1810	11.9	66	0	7	12	"InChI=1S/C57H38N4O5/c62-53(41-20-6-1-7-21-41)44-32-33-51(60-54(42-22-8-2-9-23-42)58-49(56(60)63)36-39-18-16-30-47(34-39)65-45-26-12-4-13-27-45)52(38-44)61-55(43-24-10-3-11-25-43)59-50(57(61)64)37-40-19-17-31-48(35-40)66-46-28-14-5-15-29-46/h1-38H/b49-36-,50-37-"	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC(=CC=C3)OC4=CC=CC=C4)/C(=O)N2C5=C(C=C(C=C5)C(=O)C6=CC=CC=C6)N7C(=N/C(=C\\C8=CC(=CC=C8)OC9=CC=CC=C9)/C7=O)C1=CC=CC=C1	ZJAAHUZPFZQHEW-OPJUKZJOSA-N
DG65116	"N-[4-[15-(4-acetamidophenyl)-10,20-bis(1-methylquinolin-1-ium-3-yl)-21,23-dihydroporphyrin-5-yl]phenyl]acetamide;chloride"	16129941	NSC712202; NSC-712202	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712202	.	.	.	.	896.4	C56H44ClN8O2+	123	1530	.	67	4	5	6	"InChI=1S/C56H42N8O2.ClH/c1-33(65)57-41-17-13-35(14-18-41)53-43-21-25-47(59-43)55(39-29-37-9-5-7-11-51(37)63(3)31-39)49-27-23-45(61-49)54(36-15-19-42(20-16-36)58-34(2)66)46-24-28-50(62-46)56(48-26-22-44(53)60-48)40-30-38-10-6-8-12-52(38)64(4)32-40;/h5-32H,1-4H3,(H2-2,57,58,59,60,61,62,65,66);1H/p+1"	CC(=O)NC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC8=CC=CC=C8[N+](=C7)C)C9=CC=C(C=C9)NC(=O)C)C=C4)C1=CC2=CC=CC=C2[N+](=C1)C)N3.[Cl-]	SIBGZPRINGCUMK-UHFFFAOYSA-O
DG65117	"4,6-dinitro-5,7-bis[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1,3-dihydrobenzimidazol-2-one"	16129957	CHEMBL1976305; NSC715223; NSC-715223	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715223	.	.	.	.	530.3	C17H10N10O11	300	1020	3.7	38	4	15	6	"InChI=1S/C17H10N10O11/c28-17-20-11-12(21-17)15(26(33)34)14(23-19-6-8-2-4-10(38-8)25(31)32)16(27(35)36)13(11)22-18-5-7-1-3-9(37-7)24(29)30/h1-6,22-23H,(H2,20,21,28)/b18-5+,19-6+"	C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC2=C(C(=C(C3=C2NC(=O)N3)[N+](=O)[O-])N/N=C/C4=CC=C(O4)[N+](=O)[O-])[N+](=O)[O-]	XLXCUDNBBXNJQR-CKVFWYFXSA-N
DG65118	5-Fluoro deoxy uridine 10mer	16130072	5-Fluoro deoxy uridine 10mer; CHEMBL1996586; NSC697912; NSC-697912	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697912	.	.	.	.	3019.6	C90H101F10N20O68P9	1130	8460	-16.6	197	21	78	56	"InChI=1S/C90H101F10N20O68P9/c91-31-11-111(81(133)101-71(31)123)61-1-41(122)52(171-61)22-161-189(143,144)181-43-3-63(113-13-33(93)73(125)103-83(113)135)173-54(43)24-163-191(147,148)183-45-5-65(115-15-35(95)75(127)105-85(115)137)175-56(45)26-165-193(151,152)185-47-7-67(117-17-37(97)77(129)107-87(117)139)177-58(47)28-167-195(155,156)187-49-9-69(119-19-39(99)79(131)109-89(119)141)179-60(49)30-169-197(159,160)188-50-10-70(120-20-40(100)80(132)110-90(120)142)178-59(50)29-168-196(157,158)186-48-8-68(118-18-38(98)78(130)108-88(118)140)176-57(48)27-166-194(153,154)184-46-6-66(116-16-36(96)76(128)106-86(116)138)174-55(46)25-164-192(149,150)182-44-4-64(114-14-34(94)74(126)104-84(114)136)172-53(44)23-162-190(145,146)180-42-2-62(170-51(42)21-121)112-12-32(92)72(124)102-82(112)134/h11-20,41-70,121-122H,1-10,21-30H2,(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,159,160)(H,101,123,133)(H,102,124,134)(H,103,125,135)(H,104,126,136)(H,105,127,137)(H,106,128,138)(H,107,129,139)(H,108,130,140)(H,109,131,141)(H,110,132,142)"	C1C(C(OC1N2C=C(C(=O)NC2=O)F)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1CO)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)O	IACIPRCBXFNRDY-UHFFFAOYSA-N
DG65119	NSC672462	16130239	"benzyl N-[5-[[2-[[2-[[3-[acetyl(methyl)amino]sulfanyl-2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-[[1-[[1-[[acetyl(methyl)amino]sulfanylmethyl]-2-[(2-benzyloxy-1-carbamoyl-propyl)amino]-2-oxo-ethyl]carbamoyl]-2-benzyloxy-propyl]amino]-6-oxo-hexyl]carbamate; NSC672462; CHEMBL1999347; NSC-672462; NCI60_025754; benzyl N-[5-[[2-[[2-[[3-[acetyl(methyl)amino]sulfanyl-2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-[[1-[[1-[[acetyl(methyl)amino]sulfanylmethyl]-2-[(2-benzyloxy-1-carbamoyl-propyl)amino]-2-oxo-ethyl]carbamoyl]-2-benzyloxy-propyl]amino]-6-oxo-hexyl]carbamate; Threoninamide, N-[(phenylmethoxy)carbonyl]phenylalanyl-S-(acetylmethylamino)cysteinylphenylalanyltryptophyl-N~6~-[(phenylmethoxy)carbonyl]lysyl-O-(phenylmethyl)threonyl-S-(acetylmethylamino)cysteinyl-O-(phenylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672462	.	.	.	.	1624.9	C85H101N13O16S2	449	3090	7.8	116	11	18	47	"InChI=1S/C85H101N13O16S2/c1-55(111-49-61-33-17-9-18-34-61)74(76(86)101)95-82(107)73(54-116-98(6)58(4)100)93-83(108)75(56(2)112-50-62-35-19-10-20-36-62)96-77(102)68(43-27-28-44-87-84(109)113-51-63-37-21-11-22-38-63)89-80(105)71(47-65-48-88-67-42-26-25-41-66(65)67)91-78(103)69(45-59-29-13-7-14-30-59)90-81(106)72(53-115-97(5)57(3)99)92-79(104)70(46-60-31-15-8-16-32-60)94-85(110)114-52-64-39-23-12-24-40-64/h7-26,29-42,48,55-56,68-75,88H,27-28,43-47,49-54H2,1-6H3,(H2,86,101)(H,87,109)(H,89,105)(H,90,106)(H,91,103)(H,92,104)(H,93,108)(H,94,110)(H,95,107)(H,96,102)"	CC(C(C(=O)N)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(C(C)OCC1=CC=CC=C1)NC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(CC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7)OCC8=CC=CC=C8	JIYFPQBWNJZYOY-UHFFFAOYSA-N
DG65120	Antibiotic X 146	16130278	thiostrepton; Bryamycin; Thiactin; Antibiotic X 146; Antibiotic A 8506; NSC81722; NSC170365; 1393-48-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	170365	.	.	.	.	1664.9	C72H85N19O18S5	701	3940	0.6	114	17	31	12	"InChI=1S/C72H85N19O18S5/c1-14-26(3)47-63(105)78-30(7)57(99)75-28(5)56(98)76-31(8)58(100)91-72-19-18-40(66-85-43(22-111-66)59(101)77-29(6)55(97)74-27(4)54(73)96)81-52(72)42-21-112-67(83-42)49(34(11)109-69(107)41-20-37(32(9)92)36-16-17-39(79-47)51(95)50(36)80-41)89-60(102)44-24-113-68(86-44)53(71(13,108)35(12)94)90-62(104)45-23-110-65(84-45)38(15-2)82-64(106)48(33(10)93)88-61(103)46-25-114-70(72)87-46/h15-17,20-22,24-26,30-35,39,45,47-49,51-53,79,92-95,108H,4-6,14,18-19,23H2,1-3,7-13H3,(H2,73,96)(H,74,97)(H,75,99)(H,76,98)(H,77,101)(H,78,105)(H,82,106)(H,88,103)(H,89,102)(H,90,104)(H,91,100)/b38-15-/t26 ,30 ,31 ,32-,33+,34+,35+,39 ,45 ,47 ,48-,49-,51-,52+,53+,71+,72+/m0/s1"	CCC(C)C1C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)N[C@]23CCC(=N[C@@H]2C4=CSC(=N4)[C@H]([C@H](OC(=O)C5=NC6=C(C=CC([C@@H]6O)N1)C(=C5)[C@H](C)O)C)NC(=O)C7=CSC(=N7)[C@@H](NC(=O)C8CSC(=N8)/C(=C/C)/NC(=O)[C@@H](NC(=O)C9=CSC3=N9)[C@@H](C)O)[C@@](C)([C@@H](C)O)O)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C)C	NSFFHOGKXHRQEW-GLAXDNAISA-N
DG65121	NSC757363	16132496	"3-[9-(3-Aminopropyl)-3,24,27-tribenzyl-21-(carboxymethyl)-15-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanoic acid; 3-[9-(3-Aminopropyl)-3,24,27-tribenzyl-21-(carboxymethyl)-15-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanoic acid; NCGC00094807-01; Spectrum_000291; Spectrum3_001091; Spectrum4_001255; Spectrum5_001843; BSPBio_002762; KBioGR_001810; KBioSS_000771; DivK1c_000412; SPECTRUM1500603; BCBcMAP01_000073; HMS501E14; KBio1_000412; KBio2_000771; KBio2_003339; KBio2_005907; KBio3_001982; NINDS_000412; HMS1921I15; HMS2092C06; Pharmakon1600-01500603; NSC757363; NSC-757363; IDI1_000412; QTL1_000088; SMP1_000305; NCGC00094807-02; NCGC00094807-03; SBI-0051551.P002; SR-05000001927; SR-05000001927-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757363	.	.	.	.	1272.4	C66H85N11O15	403	2510	1.8	92	13	16	19	"InChI=1S/C66H85N11O15/c1-38(2)32-47-59(85)75-52(36-42-20-12-7-13-21-42)66(92)77-31-15-23-53(77)64(90)74-49(34-41-18-10-6-11-19-41)61(87)72-48(33-40-16-8-5-9-17-40)60(86)73-51(37-55(81)82)62(88)68-46(28-29-54(79)80)58(84)71-50(35-43-24-26-44(78)27-25-43)63(89)76-56(39(3)4)65(91)69-45(22-14-30-67)57(83)70-47/h5-13,16-21,24-27,38-39,45-53,56,78H,14-15,22-23,28-37,67H2,1-4H3,(H,68,88)(H,69,91)(H,70,83)(H,71,84)(H,72,87)(H,73,86)(H,74,90)(H,75,85)(H,76,89)(H,79,80)(H,81,82)"	CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN)C(C)C)CC3=CC=C(C=C3)O)CCC(=O)O)CC(=O)O)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6	BJSPSQYEAXWPOK-UHFFFAOYSA-N
DG65122	NSC285116	16133876	"N-[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]-2-[(11Z,15S,35R,46S,53S,59S)-18-[(2S,3R)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-(1-hydroxyethyl)-31-[(1R)-1-hydroxyethyl]-26,46-dimethyl-40,43-dimethylidene-6,9,16,23,28,38,41,44,47-nonaoxo-37-propan-2-yl-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carboxamide; Siomycin A; NSC285116; 12656-09-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	285116	.	.	.	.	1648.9	C71H81N19O18S5	701	3970	0.5	113	17	31	11	"InChI=1S/C71H81N19O18S5/c1-14-37-64-83-44(22-109-64)61(103)89-52(70(13,107)34(12)93)67-85-43(23-112-67)59(101)88-48-33(11)108-68(106)40-19-36(31(9)91)35-15-16-38(50(94)49(35)79-40)78-46(25(2)3)62(104)77-29(7)56(98)74-27(5)55(97)75-30(8)57(99)90-71(69-86-45(24-113-69)60(102)87-47(32(10)92)63(105)81-37)18-17-39(80-51(71)41-20-111-66(48)82-41)65-84-42(21-110-65)58(100)76-28(6)54(96)73-26(4)53(72)95/h14-16,19-21,23-25,30-34,38,44,46-48,50-52,78,91-94,107H,4-7,17-18,22H2,1-3,8-13H3,(H2,72,95)(H,73,96)(H,74,98)(H,75,97)(H,76,100)(H,77,104)(H,81,105)(H,87,102)(H,88,101)(H,89,103)(H,90,99)/b37-14-/t30-,31+,32 ,33 ,34+,38+,44+,46 ,47 ,48 ,50-,51+,52 ,70+,71 /m0/s1"	C/C=C\\1/C2=N[C@H](CS2)C(=O)NC(C3=NC(=CS3)C(=O)NC4C(OC(=O)C5=NC6=C(C=C[C@H]([C@@H]6O)NC(C(=O)NC(=C)C(=O)NC(=C)C(=O)N[C@H](C(=O)NC7(CCC(=N[C@@H]7C8=CSC4=N8)C9=NC(=CS9)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C2=NC(=CS2)C(=O)NC(C(=O)N1)C(C)O)C)C(C)C)C(=C5)[C@@H](C)O)C)[C@@](C)([C@@H](C)O)O	AKFVOKPQHFBYCA-GVJQEEFCSA-N
DG65123	NSC676821	16133881	"10-[(19R)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,27,29,33-dodecaene-8,14,26,31-tetrone; NSC636593; CHEMBL410634; NSC676821; NSC-676821; NCI60_027269"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676821	.	.	.	.	1084.7	C48H28O30	522	2390	0.9	78	18	30	1	"InChI=1S/C48H28O30/c49-8-1-5-12(27(56)24(8)53)15-20-18-19-21(47(71)76-39(18)36(65)31(15)60)16(32(61)37(66)40(19)75-46(20)70)13-6(2-9(50)25(54)28(13)57)44(68)74-38(11(52)4-73-43(5)67)42-41-34(63)23-22(48(72)77-41)17(30(59)35(64)33(23)62)14-7(45(69)78-42)3-10(51)26(55)29(14)58/h1-3,11,34,38,41-42,49-66H,4H2/t11 ,34-,38 ,41 ,42 /m1/s1"	C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C4C5=C3C(=O)OC6=C(C(=C(C7=C(C(=C(C=C7C(=O)O1)O)O)O)C(=C56)C(=O)O4)O)O)O)O)O)O)O)C8C9[C@@H](C1=C(C(=C(C(=C1C(=O)O9)C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)O)O	FESAEKUFXJFTFG-QOQCXZSNSA-N
DG65124	Pharmakon1600-01504105	16134267	"TANNIC ACID; SR-05000001967; NSC-758670; Spectrum_001585; SpecPlus_000817; Spectrum2_000543; Spectrum3_001616; Spectrum4_000588; Spectrum5_001292; KBioGR_001056; KBioSS_002065; DivK1c_006913; SPECTRUM1504105; SPBio_000585; CHEMBL3039201; SCHEMBL15032494; KBio1_001857; KBio2_002065; KBio2_004633; KBio2_007201; KBio3_002471; BDBM188219; HMS1922D03; HMS2093O21; Pharmakon1600-01504105; CCG-38722; NSC758670; SDCCGMLS-0066771.P001; AB00052472_02; US9073941, 35; SR-05000001967-1; SR-05000001967-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758670	.	.	.	.	1701.2	C76H52O46	778	3570	6.2	122	25	46	31	"InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76-/m1/s1"	C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O	LRBQNJMCXXYXIU-NRMVVENXSA-N
DG65125	Bradykinin Antagonist	16134278	Bradykinin Antagonist; NSC710295; NSC-710295; NCI60_038811	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710295	.	.	.	.	2813.3	C136H202N40O26	1070	6330	-1.6	202	40	34	79	"InChI=1S/C136H202N40O26/c137-105(159-89(35-17-47-151-131(139)140)113(183)161-91(37-19-49-153-133(143)144)123(193)171-53-23-43-99(171)125(195)173-69-87(179)65-101(173)117(187)157-67-107(181)167-109(83-55-73-25-5-6-26-74(73)56-83)121(191)165-95(71-177)115(185)169-111(85-59-77-29-9-10-30-78(77)60-85)127(197)175-97-41-15-13-33-81(97)63-103(175)119(189)163-93(129(199)200)39-21-51-155-135(147)148)45-3-1-2-4-46-106(138)160-90(36-18-48-152-132(141)142)114(184)162-92(38-20-50-154-134(145)146)124(194)172-54-24-44-100(172)126(196)174-70-88(180)66-102(174)118(188)158-68-108(182)168-110(84-57-75-27-7-8-28-76(75)58-84)122(192)166-96(72-178)116(186)170-112(86-61-79-31-11-12-32-80(79)62-86)128(198)176-98-42-16-14-34-82(98)64-104(176)120(190)164-94(130(201)202)40-22-52-156-136(149)150/h5-12,25-32,81-104,109-112,177-180H,1-4,13-24,33-72H2,(H2,137,159)(H2,138,160)(H,157,187)(H,158,188)(H,161,183)(H,162,184)(H,163,189)(H,164,190)(H,165,191)(H,166,192)(H,167,181)(H,168,182)(H,169,185)(H,170,186)(H,199,200)(H,201,202)(H4,139,140,151)(H4,141,142,152)(H4,143,144,153)(H4,145,146,154)(H4,147,148,155)(H4,149,150,156)/t81 ,82 ,87-,88-,89-,90-,91 ,92 ,93 ,94 ,95 ,96 ,97 ,98 ,99 ,100 ,101+,102+,103 ,104 ,109 ,110 ,111-,112-/m1/s1"	C1CCC2C(C1)CC(N2C(=O)[C@@H](C3CC4=CC=CC=C4C3)NC(=O)C(CO)NC(=O)C(C5CC6=CC=CC=C6C5)NC(=O)CNC(=O)[C@@H]7C[C@H](CN7C(=O)C8CCCN8C(=O)C(CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=N)CCCCCCC(=N)N[C@H](CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N9CCCC9C(=O)N1C[C@@H](C[C@H]1C(=O)NCC(=O)NC(C1CC2=CC=CC=C2C1)C(=O)NC(CO)C(=O)N[C@H](C1CC2=CC=CC=C2C1)C(=O)N1C2CCCCC2CC1C(=O)NC(CCCNC(=N)N)C(=O)O)O)O)C(=O)NC(CCCNC(=N)N)C(=O)O	UYRCOTSOPWOSJK-JXTBTVDRSA-N
DG65126	Vitilevuamide	16135684	vitilevuamide; NSC800698; NSC-800698; 191681-63-7	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800698	.	.	.	.	1603.9	C77H114N14O21S	528	3340	4.4	113	15	22	21	"InChI=1S/C77H114N14O21S/c1-14-41(6)32-49-67(100)87-60(40(4)5)76(109)90(12)63(57(93)37-111-13)74(107)85-53(36-92)77(110)112-46(11)62-73(106)84-52(35-48-26-21-18-22-27-48)75(108)91-31-23-28-56(91)71(104)86-55(70(103)88-61(43(8)16-3)72(105)79-45(10)65(98)81-49)39-113-38-54(80-58(94)29-30-59(95)96)69(102)83-51(34-47-24-19-17-20-25-47)66(99)78-44(9)64(97)82-50(68(101)89-62)33-42(7)15-2/h17-22,24-27,40-44,46,49-57,60-63,92-93H,10,14-16,23,28-39H2,1-9,11-13H3,(H,78,99)(H,79,105)(H,80,94)(H,81,98)(H,82,97)(H,83,102)(H,84,106)(H,85,107)(H,86,104)(H,87,100)(H,88,103)(H,89,101)(H,95,96)"	CCC(C)CC1C(=O)NC2C(OC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(NC(=O)C(=C)NC(=O)C(NC(=O)C(CSCC(C(=O)NC(C(=O)NC(C(=O)N1)C)CC3=CC=CC=C3)NC(=O)CCC(=O)O)NC(=O)C4CCCN4C(=O)C(NC2=O)CC5=CC=CC=C5)C(C)CC)CC(C)CC)C(C)C)C)C(COC)O)CO)C	UFOVYHGILLJGLP-UHFFFAOYSA-N
DG65127	Methyltrioctylammonium bis(trifluoromethylsulfonyl)imide	16211009	"375395-33-8; Methyltri-n-octylammonium Bis(trifluoromethanesulfonyl)imide; Methyltrioctylammonium bis(trifluoromethylsulfonyl)imide; Methyl-trioctylammonium bis(trifluoromethylsulfonyl)imide; NSC-747259; UNII-939A0J7H68; Methyltricaprylylammonium bistriflamide; NSC 747259; 939A0J7H68; bis(trifluoromethylsulfonyl)azanide;methyl(trioctyl)azanium; N-Methyl-N,N-dioctyloctan-1-aminium bis((trifluoromethyl)sulfonyl)amide; METHYL-TRIOCTYLAMMONIUM BIS(TRIFLUOROMET; Methyltrioctylammonium bistriflamide; Trioctylmethylammonium bis(trifluoromethylsulfonyl)imide; DSSTox_CID_27902; DSSTox_RID_82655; DSSTox_GSID_47926; CHEMBL561679; SCHEMBL1781779; DTXSID3047926; Methyltrioctylammonium bis(trifluoromethanesulfonyl)imide; Trioctylmethylammonium bis(trifluoromethane sulfone)imide; Tox21_200603; MFCD08275364; NSC747259; NCGC00248758-01; NCGC00258157-01; 1-Octanaminium, N-methyl-N,N-dioctyl-, salt with 1,1,1-trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide (1:1); AS-64435; CAS-375395-33-8; M1660; D83003; Q10860573; Trioctylmethylammonium Bis(trifluoromethanesulfonyl)imide; Methyl-Trioctylammonium Bis(Trifluoromethylsulfonyl)Imide For Energy Applications; Methyl-trioctylammonium bis(trifluoromethylsulfonyl)imide, for electrochemistry, >=99% (NMR); Methyl-trioctylammonium bis(trifluoromethylsulfonyl)imide, for energy applications; Methyl-trioctylammonium bis(trifluoromethylsulphonyl)imide, for electrochemistry; methyltrioctylazanium; trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747259	.	.	.	.	648.9	C27H54F6N2O4S2	86	594	.	41	0	11	23	"InChI=1S/C25H54N.C2F6NO4S2/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-25H2,1-4H3;/q+1;-1"	CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F	LAGQNGWYNLUQRI-UHFFFAOYSA-N
DG65128	Arypurine derivatives	16220246	arypurine derivatives; CHEMBL2262437; NSC733891; NSC-733891	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733891	.	.	.	.	327.6	C13H9Cl3N4	43.6	333	4	20	0	3	3	"InChI=1S/C13H9Cl3N4/c14-5-8-3-1-2-4-9(8)6-20-7-17-10-11(15)18-13(16)19-12(10)20/h1-4,7H,5-6H2"	C1=CC=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)Cl)CCl	CTVXHVIQINYLSY-UHFFFAOYSA-N
DG65129	"6-(7'-tert-BOC-aminoheptyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	16221147	"CHEMBL224967; NSC740269; NSC-740269; 6-(7'-tert-BOC-aminoheptyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740269	.	.	.	.	460.6	C28H32N2O4	75.7	812	5.1	34	1	4	10	"InChI=1S/C28H32N2O4/c1-28(2,3)34-27(33)29-17-11-5-4-6-12-18-30-24-20-14-8-9-15-21(20)25(31)23(24)19-13-7-10-16-22(19)26(30)32/h7-10,13-16H,4-6,11-12,17-18H2,1-3H3,(H,29,33)"	CC(C)(C)OC(=O)NCCCCCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42	MKGPVEKZHFOBNH-UHFFFAOYSA-N
DG65130	"6-(5-aminopentyl)-5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinoline hydrochloride"	16221201	"CHEMBL225093; SCHEMBL1308403; NSC736829; NSC-736829; 6-(5-Aminopentyl)-5,11-diketo-11H-indeno[1,2-c]i soquinoline Hydrochloride; 6-(5-aminopentyl)-5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinoline hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736829	.	.	.	.	368.9	C21H21ClN2O2	63.4	582	.	26	2	3	5	"InChI=1S/C21H20N2O2.ClH/c22-12-6-1-7-13-23-19-15-9-3-4-10-16(15)20(24)18(19)14-8-2-5-11-17(14)21(23)25;/h2-5,8-11H,1,6-7,12-13,22H2;1H"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCCN.Cl	QTQJHZZMWNNAFI-UHFFFAOYSA-N
DG65131	"6-(7-amonoheptyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	16221203	"CHEMBL225390; SCHEMBL1309755; NSC740508; NSC-740508; 6-(7-amonoheptyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740508	.	.	.	.	396.9	C23H25ClN2O2	63.4	612	.	28	2	3	7	"InChI=1S/C23H24N2O2.ClH/c24-14-8-2-1-3-9-15-25-21-17-11-5-6-12-18(17)22(26)20(21)16-10-4-7-13-19(16)23(25)27;/h4-7,10-13H,1-3,8-9,14-15,24H2;1H"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCCCCN.Cl	XZYQPYXTCVISKA-UHFFFAOYSA-N
DG65132	"6-(10'-tert-BOC-aminodecyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	16221318	"CHEMBL223965; NSC740270; NSC-740270; 6-(10'-tert-BOC-aminodecyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740270	.	.	.	.	502.6	C31H38N2O4	75.7	858	6.7	37	1	4	13	"InChI=1S/C31H38N2O4/c1-31(2,3)37-30(36)32-20-14-8-6-4-5-7-9-15-21-33-27-23-17-11-12-18-24(23)28(34)26(27)22-16-10-13-19-25(22)29(33)35/h10-13,16-19H,4-9,14-15,20-21H2,1-3H3,(H,32,36)"	CC(C)(C)OC(=O)NCCCCCCCCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42	DMMUQQPDXKDCIE-UHFFFAOYSA-N
DG65133	"6-(6-Aminohexyl)-5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	16221320	"CHEMBL390611; SCHEMBL2130875; NSC736832; NSC-736832; 6-(6-Aminohexyl)-5,11-diketo-11H-indeno[1,2-c]is oquinoline Hydrochloride; 6-(6-Aminohexyl)-5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736832	.	.	.	.	382.9	C22H23ClN2O2	63.4	597	.	27	2	3	6	"InChI=1S/C22H22N2O2.ClH/c23-13-7-1-2-8-14-24-20-16-10-4-5-11-17(16)21(25)19(20)15-9-3-6-12-18(15)22(24)26;/h3-6,9-12H,1-2,7-8,13-14,23H2;1H"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCCCN.Cl	RQCIYCGWTNGFCB-UHFFFAOYSA-N
DG65134	"6-(11-aminoundecyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	16221323	"CHEMBL223545; SCHEMBL1307608; NSC740510; NSC-740510; 6-(11-aminoundecyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740510	.	.	.	.	453	C27H33ClN2O2	63.4	670	.	32	2	3	11	"InChI=1S/C27H32N2O2.ClH/c28-18-12-6-4-2-1-3-5-7-13-19-29-25-21-15-9-10-16-22(21)26(30)24(25)20-14-8-11-17-23(20)27(29)31;/h8-11,14-17H,1-7,12-13,18-19,28H2;1H"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCCCCCCCCN.Cl	DQXVACRONSJIKO-UHFFFAOYSA-N
DG65136	Cobimetinib (R-enantiomer)	16222097	"Cobimetinib (R-enantiomer); 934660-94-3; Cobimetinib R-enantiomer; [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[(2R)-piperidin-2-yl]azetidin-1-yl]methanone; XL-518 R-enantiomer; GDC-0973 R-enantiomer; SCHEMBL188704; DTXSID70585319; Cobimetinib(GDC-0973; XL518); NSC768069; ZINC60325171; NSC-768069; NCGC00346455-01; HY-13079; [3,4-Difluoro-2-(2-fluoro-4-iodoanilino)phenyl]{3-hydroxy-3-[(2R)-piperidin-2-yl]azetidin-1-yl}methanone; {3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}{3-hydroxy-3-[(2R)-piperidin-2-yl]azetidin-1-yl}methanone; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}carbonyl)-3-[(2R)-piperidin-2-yl]azetidin-3-ol; VKD"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768069	.	.	.	.	531.3	C21H21F3IN3O2	64.599	624	3.9	30	3	7	4	"InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m1/s1"	C1CCN[C@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O	BSMCAPRUBJMWDF-QGZVFWFLSA-N
DG65137	Aminopyrimidine (Scaffold I)	16223204	Aminopyrimidine (Scaffold I); SCHEMBL597862; SCHEMBL10122871; BDBM153739; NSC759094; NSC-759094; 934353-75-0	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759094	.	.	.	.	373.5	C21H23N7	73	556	3.4	28	2	6	5	"InChI=1S/C21H23N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-7,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)"	CC1=CC(=NN1)NC2=CC(=NC(=N2)C#CC3=CC=CC=C3)N4CCN(CC4)C	YARGQNDSHRVPPT-UHFFFAOYSA-N
DG65138	"6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine"	16224745	"SCH900776 (Racemate); MK-8776 Racemate; MK-8776; MK-8776 S-isomer; CHEMBL1643208; 6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine; 891495-88-8; MK 8776; GTPL7943; SCHEMBL10380123; CHEBI:131165; HMS3656J19; 6-BROMO-3-(1-METHYLPYRAZOL-4-YL)-5-[(3R)-PIPERIDIN-3-YL]PYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE; BCP02883; BDBM50334854; NSC764659; AKOS026750519; NSC-764659; SB16656; NCGC00387868-02; DA-40779; BCP0726000317; (-)-SCH-900776; FT-0700501; FT-0771683; J3.517.083I; Q27086899; SCH 900776 (CAS:891494-64-7); 6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine; 6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[5,1-b]pyrimidin-7-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764659	.	.	.	.	376.25	C15H18BrN7	86.1	425	0.8	23	2	5	2	"InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3"	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)C4CCCNC4	GMIZZEXBPRLVIV-UHFFFAOYSA-N
DG65139	"3-[(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)amino]-N-[(furan-2-yl)methyl]benzamide"	16252025	"NSC732848; ZINC13149223; AKOS001107736; MCULE-8387528080; NSC-732848; Z99599168; 2-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamidomethyl]furan; 3-[(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)amino]-N-[(furan-2-yl)methyl]benzamide; 785845-35-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732848	.	.	.	.	435.9	C23H18ClN3O4	91.6	734	3.4	31	2	5	7	"InChI=1S/C23H18ClN3O4/c24-19-20(23(30)27(22(19)29)14-15-6-2-1-3-7-15)26-17-9-4-8-16(12-17)21(28)25-13-18-10-5-11-31-18/h1-12,26H,13-14H2,(H,25,28)"	C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NCC4=CC=CO4	DIAHQDVVAKSKLZ-UHFFFAOYSA-N
DG65140	"1-benzyl-3-(5-chloro-2-hydroxyanilino)-4-(4,5-dihydro-1H-2,5-pyrroledione"	16254141	"NSC743216; ZINC13150236; AKOS001137481; MCULE-7991234017; NSC-743216; AB00740786-01; 1-benzyl-3-(5-chloro-2-hydroxyanilino)-4-(4,5-dihydro-1H-2,5-pyrroledione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743216	.	.	.	.	466.9	C23H19ClN4O3S	121	735	4.7	32	2	7	6	"InChI=1S/C23H19ClN4O3S/c1-13-10-14(2)26-23(25-13)32-20-19(27-17-11-16(24)8-9-18(17)29)21(30)28(22(20)31)12-15-6-4-3-5-7-15/h3-11,27,29H,12H2,1-2H3"	CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=C(C=CC(=C4)Cl)O)C	ZWGOXQUHIXNDAM-UHFFFAOYSA-N
DG65141	"1-[5-(3-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	16257373	CHEMBL1224510; NSC744675; AKOS001152591; AKOS016891056; MCULE-5847147476; NSC-744675	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744675	.	.	.	.	384.4	C21H24N2O5	69.6	555	2.6	28	0	6	6	"InChI=1S/C21H24N2O5/c1-13(24)23-18(12-17(22-23)14-7-6-8-16(9-14)25-2)15-10-19(26-3)21(28-5)20(11-15)27-4/h6-11,18H,12H2,1-5H3"	CC(=O)N1C(CC(=N1)C2=CC(=CC=C2)OC)C3=CC(=C(C(=C3)OC)OC)OC	ZLRZNULDLZNBNY-UHFFFAOYSA-N
DG65142	"5-Chloro-2-((4-fluorobenzyl)sulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide"	16446482	"PK11007; 874146-69-7; 5-Chloro-2-((4-fluorobenzyl)sulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide; 5-chloro-2-[(4-fluorobenzyl)sulfonyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide; 5-chloro-2-[(4-fluorophenyl)methylsulfonyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide; SCHEMBL18542083; BCP32609; EX-A3834; ZINC8917013; ZJB14669; MFCD07427349; NSC789703; STK912406; AKOS001881684; MCULE-7917087044; NSC-789703; BS-17764; HY-128784; CS-0106640; D81407; A934179; 5-Chloro-2-[[(4-fluorophenyl)methyl]sulfonyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789703	.	.	.	.	427.9	C15H11ClFN5O3S2	151	629	2.3	27	1	9	5	"InChI=1S/C15H11ClFN5O3S2/c1-8-21-22-14(26-8)20-13(23)12-11(16)6-18-15(19-12)27(24,25)7-9-2-4-10(17)5-3-9/h2-6H,7H2,1H3,(H,20,22,23)"	CC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=C(C=C3)F	IVZQUWCWXYFPOQ-UHFFFAOYSA-N
DG65143	"1-(3-(Benzo[d][1,3]dioxol-5-yl)-4,5-dihydro-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl)ethanone"	16462904	"924873-78-9; 1-(3-(benzo[d][1,3]dioxol-5-yl)-4,5-dihydro-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl)ethanone; 1-[5-(1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone; CHEMBL3287767; NSC754198; STK922365; AKOS002321981; AKOS016322282; MCULE-8404384733; NSC-754198; VU0610926-1; F3328-0005; 1-(3-(benzo[d][1,3]dioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone; 1-[3-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754198	.	.	.	.	398.4	C21H22N2O6	78.8	614	2.4	29	0	7	5	"InChI=1S/C21H22N2O6/c1-12(24)23-16(14-8-19(25-2)21(27-4)20(9-14)26-3)10-15(22-23)13-5-6-17-18(7-13)29-11-28-17/h5-9,16H,10-11H2,1-4H3"	CC(=O)N1C(CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC(=C(C(=C4)OC)OC)OC	DSUSHVBFDNYXMR-UHFFFAOYSA-N
DG65145	"2,2',4,6,6'-Pentamethoxychalcone"	16655018	"CHEMBL260216; SCHEMBL4447934; NSC751955; 2,2',4,6,6'-Pentamethoxychalcone; NSC-751955"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751955	.	.	.	.	358.4	C20H22O6	63.2	439	3.5	26	0	6	8	"InChI=1S/C20H22O6/c1-22-13-11-18(25-4)14(19(12-13)26-5)9-10-15(21)20-16(23-2)7-6-8-17(20)24-3/h6-12H,1-5H3/b10-9+"	COC1=C(C(=CC=C1)OC)C(=O)/C=C/C2=C(C=C(C=C2OC)OC)OC	VTQYXZBKHCNCGL-MDZDMXLPSA-N
DG65147	"1-Naphthalenecarboxamide, N-[3-cyano-7-(cyclopropylcarbonyl)-4,5,6,7-tetrahydrothieno[2,3-b]pyridin-2-yl]-"	16664858	"929700-76-5; CHEMBL232601; GW846105X; 1-Naphthalenecarboxamide, N-[3-cyano-7-(cyclopropylcarbonyl)-4,5,6,7-tetrahydrothieno[2,3-b]pyridin-2-yl]-; 1-Naphthalenecarboxamide,N-[3-cyano-7-(cyclopropylcarbonyl)-4,5,6,7-tetrahydrothieno[2,3-b]pyridin-2-yl]-; HMS3303B14; HMS3305E09; BDBM50411406; NSC756405; ZINC28821925; NSC-756405; NCGC00242078-01; AB01092089-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756405	.	.	.	.	401.5	C23H19N3O2S	101	714	4.8	29	1	4	3	"InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)"	C1CC2=C(N(C1)C(=O)C3CC3)SC(=C2C#N)NC(=O)C4=CC=CC5=CC=CC=C54	KTBZRPANEUUZDW-UHFFFAOYSA-N
DG65149	"(2S,4S,5S,6R)-4-(Hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol;hydrochloride"	16667703	"(2S,4S,5S,6R)-4-(Hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol;hydrochloride; 10212-25-6; ANCITABINE HYDROCHLORIDE; SPECTRUM1505008; CHEMBL4303543; Pharmakon1600-01504137; NSC758671; AKOS030504230; CCG-213916; NSC-758671"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758671	.	.	.	.	261.66	C9H12ClN3O4	98.4	394	.	17	4	5	1	"InChI=1S/C9H11N3O4.ClH/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8;/h1-2,4,6-8,10,13-14H,3H2;1H/t4-,6-,7+,8-;/m0./s1"	C1=CN2[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O)OC2=NC1=N.Cl	KZOWNALBTMILAP-QFSSJCHDSA-N
DG65150	"2',4]Thiazinium chloride"	16680184	"2',4]thiazinium chloride; CHEMBL4166536; 5,2-b; NSC737216; NSC-737216"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737216	.	.	.	.	363.9	C20H14ClN3S	45.3	499	.	25	0	4	0	"InChI=1S/C20H14N3S.ClH/c1-3-7-15-13(5-1)11-17-19(21-15)23-10-9-22-16-8-4-2-6-14(16)12-18(24-17)20(22)23;/h1-8,11-12H,9-10H2;1H/q+1;/p-1"	C1C[N+]2=C3N1C4=NC5=CC=CC=C5C=C4SC3=CC6=CC=CC=C62.[Cl-]	WXRYUBHDCNNDGA-UHFFFAOYSA-M
DG65151	"Acetic acid--4,4'-[(E)-ethene-1,2-diyl]bis(6-methoxyquinoline) (1/1)"	16682406	"MLS000736529; 6281-85-2; SMR000445955; CHEMBL1507795; DTXSID90586601; NSC5907; HMS2804A10; NSC-5907; Acetic acid--4,4'-[(E)-ethene-1,2-diyl]bis(6-methoxyquinoline) (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5907	.	.	.	.	402.4	C24H22N2O4	81.5	472	.	30	1	6	4	"InChI=1S/C22H18N2O2.C2H4O2/c1-25-17-5-7-21-19(13-17)15(9-11-23-21)3-4-16-10-12-24-22-8-6-18(26-2)14-20(16)22;1-2(3)4/h3-14H,1-2H3;1H3,(H,3,4)/b4-3+;"	CC(=O)O.COC1=CC2=C(C=CN=C2C=C1)/C=C/C3=C4C=C(C=CC4=NC=C3)OC	VMKQUODOFZERKS-BJILWQEISA-N
DG65152	"Ethanol,4-quinazolinediamine (1:2)"	16682542	"MLS000757047; SMR000449852; CHEMBL1407169; HMS2788P12; Ethanol,4-quinazolinediamine (1:2); NSC305780; NSC-305780; Ethanol, compd. with 6- (2-naphthalenylthio)-2, 4-quinazolinediamine (1:2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305780	.	.	.	.	364.5	C20H20N4OS	123	409	.	26	3	6	2	"InChI=1S/C18H14N4S.C2H6O/c19-17-15-10-14(7-8-16(15)21-18(20)22-17)23-13-6-5-11-3-1-2-4-12(11)9-13;1-2-3/h1-10H,(H4,19,20,21,22);3H,2H2,1H3"	CCO.C1=CC=C2C=C(C=CC2=C1)SC3=CC4=C(C=C3)N=C(N=C4N)N	KEFLIPWUXAASFO-UHFFFAOYSA-N
DG65153	Phenylmercuric acetate	16682730	"phenylmercuric acetate; 62-38-4; phenylmercury acetate; acetoxyphenylmercury; Liquiphene; Anticon; Dyanacide; Gallotox; Hostaquik; Kwiksan; Meracen; Mercuron; Mersolite; Neantina; Norforms; Nylmerate; Phenmad; Programin; Quicksan; Trigosan; Verdasan; Ziarnik; Bufen; Femma; Riogen; Scutl; Phix; mercuriphenyl acetate; phenomercuric acetate; Contra Creme; Fungicide R; Hong nien; Antimucin WDR; Fungitox OR; Sanitized SPG; Mersolite 8; Spor-Kil; (acetoxymercuri)benzene; Phenyl mercuric acetate; Phenylmercuriacetate; Puraturf 10; Quicksan 20; (acetato-O)phenylmercury; Agrosan GN 5; Metasol 30; Panomatic; Sanmicron; Shimmerex; Cekusil; Celmer; Pamisan; Seedtox; Setrete; Volpar; PMAC; PMAL; PMAS; Purasan-SC-10; Tag Fungicide; Mersolite D; Spruce Seal; Antimucin WBR; Algimycin 200; phenylmercury(II) acetate; Pmacetate; Bufen 30; (Acetato)phenylmercury; Mercury, (acetato-O)phenyl-; Fenylmercuriacetat; Mercury, acetoxyphenyl-; Octan fenylrtutnaty; Hl-331; Mercury, (acetato)phenyl-; TAG 331; Benzene, (acetoxymercuri)-; Tag HL 331; Benzene, (acetoxymercurio)-; Phenylquecksilberacetat; SC-110; Mercury(II) acetate, phenyl-; Acetate phenylmercurique; Algimycin; Leytosan; acetyloxy(phenyl)mercury; Ceresan universal; Acetic acid, phenylmercury(II) salt; (aceto)phenylmercury; acetoxy(phenyl)mercury; Acetic acid, phenylmercury deriv.; (acetoxymercurio)-benzene; Phenylmercuric acetate [NF]; (acetato-kappaO)(phenyl)mercury; Hexasan, fungicide; NCGC00091050-02; Ceresol; Lorophyn; Mercron; Ruberon; Sanitol; Samtol; C.I. Pigment Green 2; DSSTox_CID_1150; Agrosan D; Seed Dressing R; PMA (fungicide); WLN: 1VO-HG-R; DSSTox_RID_75977; Intercide 60; Phenylmercuric acetate (NF); DSSTox_GSID_21150; Verdasan (VAN); Zaprawa Nasienna R; Troysan 30; Hexasan (fungicide); Intercide PMA 18; Troysan PMA 30; Nuodex PMA 18; Mergal A 25; Parasan (bactericide); Caswell No. 656; Phenylquecksilberacetate; Tag (VAN); C8H8HgO2; Fenylmerkuriacetat; Fenylmercuriacetat [Czech]; Fenylmerkuriacetat [Czech]; RCRA waste number P092; CAS-62-38-4; Octan fenylrtutnaty [Czech]; CCRIS 4858; Phenylquecksilberacetat [German]; HSDB 1670; Acetate phenylmercurique [French]; Acetate de phenylmercure; EINECS 200-532-5; NSC 35670; UN1674; RCRA waste no. P092; Acetate de phenylmercure [ISO-French]; EPA Pesticide Chemical Code 066003; Fungitox; Unisan; AI3-14668; Shimmer-ex; Mercury, (acetato-kappaO)phenyl-; Phenylmercury acetate [BSI:ISO]; Cosan PMA; Advacide PMA 18; Mercury, (acetato-.kappa.O)phenyl-; Phenylmercury deriv.; phenylmercuric-acetate; acetato(phenyl)mercury; Nildew AC 30; Phenyl mercurie acetate; Spectrum_000724; (Acetato)phenyl mercury; Phenylmercury(II)Acetate; Spectrum2_000943; Spectrum3_000779; Spectrum4_000394; Spectrum5_001660; Mergal       A25; NCIOpen2_007948; BSPBio_002458; KBioGR_000947; KBioSS_001204; Phenylmercuric acetate, 97%; DivK1c_000286; SPECTRUM1500644; Phenylmercury acetate [Mercury and mercury compounds]; SPBio_000906; Nuodex       PMA 18; DTXSID7021150; CHEBI:27684; HMS500O08; jm5b01461, Compound 168; KBio1_000286; KBio2_001204; KBio2_003772; KBio2_006340; KBio3_001678; NINDS_000286; BDBM429351; HMS1921O03; HMS2092E18; Pharmakon1600-01500644; NSC35670; NSC61321; Tag       HL-331; Tox21_111068; Tox21_202241; Tox21_300589; 8055AF; CCG-39751; MFCD00008691; NSC-35670; NSC-61321; NSC757402; AKOS015888302; Tox21_111068_1; NSC-757402; IDI1_000286; NCGC00091050-01; NCGC00091050-03; NCGC00091050-04; NCGC00091050-05; NCGC00091050-06; NCGC00091050-07; NCGC00091050-09; NCGC00164424-01; NCGC00254390-01; NCGC00259790-01; SBI-0051573.P002; Phenylmercuric acetate [UN1674]  [Poison]; D05464; Phenylmercury acetate, purum, >=98.0% (Hg); AB00052136_02; SR-05000001922; Q2364821; SR-05000001922-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757402	.	.	.	.	336.74	C8H8HgO2	26.3	130	.	11	0	2	3	"InChI=1S/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1"	CC(=O)O[Hg]C1=CC=CC=C1	XEBWQGVWTUSTLN-UHFFFAOYSA-M
DG65154	Dibutyltin diacetate	16682740	"DIBUTYLTIN DIACETATE; 1067-33-0; Stannane, bis(acetyloxy)dibutyl-; Diacetoxybutyltin; Diacetoxydibutyltin; Di-n-butyltin diacetate; Dibutyl tin diacetate; T 1 (Catalyst); Bis(acetyloxy)dibutylstannane; Diacetoxydibutylstannane; Fomrez sul-3; Stannane, diacetoxydibutyl-; Dibutylstannium diacetate; BA 2726; NCI-C02028; Tin, dibutyl-, diacetate; BC9AZH1UZG; UNII-BC9AZH1UZG; [acetyloxy(dibutyl)stannyl] Acetate; NSC 8786; bis(acetyloxy)(dibutyl)stannane; Acetic acid, 1,1'-(dibutylstannylene) ester; T 1; Diacetoxydibutlyltin; Bis(acetato)dibutyltin; Dibutyldiacetoxystannane; Dibutyltin di(acetate); Caswell No. 293A; CCRIS 218; Tin, diacetate; HSDB 4115; T 1 (VAN); Metacure T-1; EINECS 213-928-8; EINECS 241-521-5; DSSTox_CID_419; dibutylstannanediyl diacetate; DSSTox_RID_75572; DSSTox_GSID_20419; C12H24SO4n; DTXSID3020419; NSC8786; BAA06733; NSC-8786; WLN: 1VO-SN-4&4&OV1; Tox21_200116; [acetyloxy(dibutyl)stannyl] ethanoate; 6044AF; Dibutyltin diacetate, technical grade; MFCD00008697; AKOS006029123; ZINC170156313; NCGC00164363-01; NCGC00164363-02; NCGC00257670-01; 17523-06-7; NCI60_041940; CAS-1067-33-0; acetic acid [acetyloxy(dibutyl)stannyl] ester; EC 213-928-8; A801493; J-001638; Q27274595"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8786	.	.	.	.	351.03	C12H24O4Sn	52.6	227	.	17	0	4	10	"InChI=1S/2C4H9.2C2H4O2.Sn/c2*1-3-4-2;2*1-2(3)4;/h2*1,3-4H2,2H3;2*1H3,(H,3,4);/q;;;;+2/p-2"	CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C	JJLKTTCRRLHVGL-UHFFFAOYSA-L
DG65155	"2-Aminophenol; 2-hydroxy-1,3,2-dioxastibolane-4,5-dicarboxylic acid"	16682749	"NSC31660; NSC-31660; NCI60_002721; 2-aminophenol; 2-hydroxy-1,3,2-dioxastibolane-4,5-dicarboxylic acid; 2-hydroxy-1,3,2-dioxastibolane-4,5-dicarboxylic acid compound with 2-aminophenol (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	31660	.	.	.	.	396.97	C10H13NO8Sb	140	247	.	20	5	9	2	"InChI=1S/C6H7NO.C4H4O6.H2O.Sb/c7-5-3-1-2-4-6(5)8;5-1(3(7)8)2(6)4(9)10;;/h1-4,8H,7H2;1-2H,(H,7,8)(H,9,10);1H2;/q;-2;;+2"	C1=CC=C(C(=C1)N)O.C1(C(O[Sb]O1)C(=O)O)C(=O)O.O	LLUVXGRUWUQUGT-UHFFFAOYSA-N
DG65156	"1,3,2-Oxathiastannolan-5-one, 2,2-dibutyl-"	16682788	"Dibutyltin S,O-thioglycolate; Dibutyltin thioglycolate; Dibutyltin mercaptoacetate; 2,2-Dibutyl-1,3,2-oxathiastannolan-5-one; Dibutyltin O,S-mercaptoacetate; Stannane, dibutyl(thioacetoxy)-; Di-N-butylzinn thioglykolat; 1,3,2-Oxathiastannolan-5-one, 2,2-dibutyl-; 78-20-6; Tin, inner salt; Dibutyl((carboxymethyl)thio)hydroxytin, inner salt; Dibutyltin O,S-thioglycolate; 1,2-Oxathiastannolan-5-one, 2,2-dibutyl-; 1,2-Oxathiastannolane, 2,2-dibutyl-, 5-oxide; Dibutyl[(carboxymethyl)thio]hydroxytin, inner salt; EINECS 201-093-2; Di-n-butylzinn thioglykolat [German]; NSC 179732; 2,2-Dibutyl-1,3,2-oxathiastannolane 5-oxide; Tin, dibutyl((carboxymethyl)thio)hydroxy-, inner salt; 1,3,2-OXATHIASTANNOLANE, 2,2-DIBUTYL-, 5-OXIDE; NCIOpen2_008345; DTXSID4058813; 2,3,2-oxathiastannolane 5-oxide; NSC67015; NSC-67015; NSC179732; WLN: T5O-SN-SV EHJ B4 B4; ZINC195996086; NSC-179732; NCI60_024609"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67015	.	.	.	.	323.04	C10H20O2SSn	51.6	189	.	14	0	3	6	"InChI=1S/2C4H9.C2H4O2S.Sn/c2*1-3-4-2;3-2(4)1-5;/h2*1,3-4H2,2H3;5H,1H2,(H,3,4);/q;;;+2/p-2"	CCCC[Sn]1(OC(=O)CS1)CCCC	OLOQHZSCBTUIGQ-UHFFFAOYSA-L
DG65157	"1-(6-(hydroxymethyl)-2,2-diphenyltetrahydrofuro[3,4-d][1,3,2]dioxastannol-4-yl)-4-imino-3,4-dihydro-2(1H)-pyrimidinone"	16682876	"NSC268665; NSC-268665; NCI60_002174; 1-(6-(hydroxymethyl)-2,2-diphenyltetrahydrofuro[3,4-d][1,3,2]dioxastannol-4-yl)-4-imino-3,4-dihydro-2(1H)-pyrimidinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	268665	.	.	.	.	514.1	C21H21N3O5Sn	107	701	.	30	2	5	4	"InChI=1S/C9H11N3O5.2C6H5.Sn/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;2*1-2-4-6-5-3-1;/h1-2,4,6-8,13H,3H2,(H2,10,11,16);2*1-5H;/q-2;;;+2"	C1=CC=C(C=C1)[Sn]2(OC3C(OC(C3O2)N4C=CC(=NC4=O)N)CO)C5=CC=CC=C5	BZWSVBLGVDPVFX-UHFFFAOYSA-N
DG65158	Phenylmercury benzoate	16682929	"Phenylmercury benzoate; Phenyl mercuric benzoate; 94-43-9; benzoyloxy(phenyl)mercury; Mercury, (benzoato-O)phenyl-; PHENYLMERCURIC BENZOATE; (Benzoato-O)phenylmercury; Mercury, (benzoato)phenyl-; DTXSID70896891; NSC84248; EINECS 202-331-8; NSC 84248; NSC-84248; Q27275470"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84248	.	.	.	.	398.81	C13H10HgO2	26.3	218	.	16	0	2	4	"InChI=1S/C7H6O2.C6H5.Hg/c8-7(9)6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h1-5H,(H,8,9);1-5H;/q;;+1/p-1"	C1=CC=C(C=C1)C(=O)O[Hg]C2=CC=CC=C2	ZXFQZMVPEYERPI-UHFFFAOYSA-M
DG65159	Morsodren	16682942	"Agrosol; Morsodren; Pandrinox; Pano-drench; Panogen PX; Pano-drench 4; Panogen (old); Panogen 8; Panogen turf spray; Panospray 30; Morton Soil Drench; Panogen 15; Panogen 43; Panogen; R 8 (fungicide); Panodrin A-13; Morton Soil-Drench-C; Morton EP-227; Methylmercury dicyanodiamide; Methylmercuric cyanoguanidine; Panogen turf fungicide; (Cyanoguanidino)methylmercury; Cyano(methylmercuri)guanidine; Methyl mercuric dicyandiamide; Zaprawa nasienna plynna; METHYLMERCURIC DICYANAMIDE; Methylmercuric dicyandiamide; Guanidine, cyano(methylmercurio)-; Mercury, (cyanoguanidinato)methyl-; Mercury, (3-cyanoguanidino)methyl-; N-Cyano-N'-(methylmercury)guanidine; Methylmercury dicyandiamide; Mercury, (cyanoguanidinato-N')methyl-; Methylmerkuridikyandiamid; Mercury, (cyanoguanidine)methyl-; Methyl mercury dicyandiamide; NSC 20000; UNII-FO98N7765W; Guanidine, cyano-, methylmercury deriv.; Mercury, (cyanoguanidinato(1-))methyl-; (3-Cyanoguanidino)methylmercury; MMD; FO98N7765W; R 8; 502-39-6; Caswell No. 268; Morton Soil Drench-C; Mercury, [cyanoguanidinato(1-)]methyl-; HSDB 1551; Methylmerkuridikyandiamid [Czech]; 1-Cyano-3-(methylmercurio)guanidine; EINECS 207-935-5; EPA Pesticide Chemical Code 051909; NSC20000; AI3-28723; Mercury, (3-cyanoguanidinato-N')methyl-; SCHEMBL161078; DTXSID8040309; SCHEMBL11123038; NCI60_001661; Mercury, (cyanoguanidinato)methyl- (8CI); Mercury, (cyanoguanidinato-kappaN')methyl-; Mercury, {[cyanoguanidinato(1-)]methyl-}; [(N-cyanocarbamimidoyl)amino]-methyl-mercury; Mercury, (cyanoguanidinato-N')methyl- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	20000	.	.	.	.	298.7	C3H6HgN4	74.2	132	.	8	2	2	2	"InChI=1S/C2H3N4.CH3.Hg/c3-1-6-2(4)5;;/h(H3-,4,5,6);1H3;/q-1;;+1"	C[Hg]/N=C(\\N)/NC#N	JVJUWCMBRUMDDQ-UHFFFAOYSA-N
DG65160	"Mercury, (acetato)(2,3,5,6-tetramethylphenyl)-"	16683022	"UNII-M4M5Q8B43X; M4M5Q8B43X; 21450-81-7; MERCURY, (ACETATO)(2,3,5,6-TETRAMETHYLPHENYL)-; NSC 174177; (2,3,5,6-Tetramethylphenyl)mercury acetate; (Acetato)(2,3,5,6-tetramethylphenyl)mercury; SCHEMBL15646146; DTXSID90175731; Mercury,3,5,6-tetramethylphenyl)-; NSC174177; NSC-174177; (2,5,6-Tetramethylphenyl)mercury acetate; NCI60_001420; WLN: 1VO-HG-R B1 C1 E1 F1; (Acetato)(2,5,6-tetramethylphenyl)mercury; (Acetato-kappaO)(2,3,5,6-tetramethylphenyl)mercury; Mercury, (acetato-O)(2,3,5,6-tetramethylphenyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174177	.	.	.	.	392.85	C12H16HgO2	26.3	216	.	15	0	2	3	"InChI=1S/C10H13.C2H4O2.Hg/c1-7-5-9(3)10(4)6-8(7)2;1-2(3)4;/h5H,1-4H3;1H3,(H,3,4);/q;;+1/p-1"	CC1=CC(=C(C(=C1C)[Hg]OC(=O)C)C)C	HWRVQNMGKGGEAO-UHFFFAOYSA-M
DG65161	"1,3,2-Oxathiastannolane, 2,2-dibutyl-"	16683030	"1,3,2-OXATHIASTANNOLANE, 2,2-DIBUTYL-; 27371-95-5; Thiooxyethylenedibutyltin; Stannane, dibutyl(thioethanolato)-; NSC 512569; 2,3,2-OXATHIASTANNOLANE; DTXSID40181807; WLN: T5O-SN-STJ B4 B4; NSC512569; ZINC195997710; 1,2-Oxathiastannolane, 2,2-dibutyl-; NSC-512569; NCI60_004239"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	512569	.	.	.	.	309.06	C10H22OSSn	34.5	133	.	13	0	2	6	"InChI=1S/2C4H9.C2H5OS.Sn/c2*1-3-4-2;3-1-2-4;/h2*1,3-4H2,2H3;4H,1-2H2;/q;;-1;+2/p-1"	CCCC[Sn]1(OCCS1)CCCC	TWNAELGEYKMPLY-UHFFFAOYSA-M
DG65162	"2,2-Dibutyl-8-methyl-1,3,2-benzodioxastannin-4-one"	16683124	"NSC628559; ZINC195997864; NSC-628559; NCI60_009200; 2,2-dibutyl-8-methyl-1,3,2-benzodioxastannin-4-one; 2,2-Dibutyl-8-methyl-4H-1,3,2-benzodioxastannin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628559	.	.	.	.	383.1	C16H24O3Sn	35.5	324	.	20	0	3	6	"InChI=1S/C8H8O3.2C4H9.Sn/c1-5-3-2-4-6(7(5)9)8(10)11;2*1-3-4-2;/h2-4,9H,1H3,(H,10,11);2*1,3-4H2,2H3;/q;;;+2/p-2"	CCCC[Sn]1(OC2=C(C=CC=C2C(=O)O1)C)CCCC	UEGGYQQFNKOFFC-UHFFFAOYSA-L
DG65163	"2,2-Dibutyl-7-methyl-1,3,2-benzodioxastannin-4-one"	16683125	"NSC628560; ZINC195997873; NSC-628560; NCI60_009201; 2,2-dibutyl-7-methyl-1,3,2-benzodioxastannin-4-one; 2,2-Dibutyl-7-methyl-4H-1,3,2-benzodioxastannin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628560	.	.	.	.	383.1	C16H24O3Sn	35.5	324	.	20	0	3	6	"InChI=1S/C8H8O3.2C4H9.Sn/c1-5-2-3-6(8(10)11)7(9)4-5;2*1-3-4-2;/h2-4,9H,1H3,(H,10,11);2*1,3-4H2,2H3;/q;;;+2/p-2"	CCCC[Sn]1(OC2=C(C=CC(=C2)C)C(=O)O1)CCCC	UFQHVVQJRXWVSU-UHFFFAOYSA-L
DG65164	"4H-1,3,2-Benzodioxastannin-4-one, 7-amino-2,2-dibutyl-"	16683126	"NSC628561; Neuro_000266; 61500-37-6; 7-amino-2,2-dibutyl-1,3,2-benzodioxastannin-4-one; 4H-1,3,2-Benzodioxastannin-4-one, 7-amino-2,2-dibutyl-; DTXSID20586659; NCI60_009202; 4H-1,2-Benzodioxastannin-4-one, 7-amino-2,2-dibutyl-; 7-Amino-2,2-dibutyl-4H-1,3,2-benzodioxastannin-4-one; 7-Amino-2,2-dibutyl-2H,4H-1,3,2-benzodioxastannin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628561	.	.	.	.	384.06	C15H23NO3Sn	61.6	329	.	20	1	4	6	"InChI=1S/C7H7NO3.2C4H9.Sn/c8-4-1-2-5(7(10)11)6(9)3-4;2*1-3-4-2;/h1-3,9H,8H2,(H,10,11);2*1,3-4H2,2H3;/q;;;+2/p-2"	CCCC[Sn]1(OC2=C(C=CC(=C2)N)C(=O)O1)CCCC	DUBOSVIRXUWDTK-UHFFFAOYSA-L
DG65165	"7-Amino-2,2-diphenyl-1,3,2-benzodioxastannin-4-one"	16683127	"NSC628562; NCI60_009203; 7-amino-2,2-diphenyl-1,3,2-benzodioxastannin-4-one; 4H-1,2-Benzodioxastannin-4-one, 7-amino-2,2-diphenyl-; 4H-1,3,2-Benzodioxastannin-4-one, 7-amino-2,2-diphenyl-; 7-Amino-2,2-diphenyl-4H-1,3,2-benzodioxastannin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628562	.	.	.	.	424	C19H15NO3Sn	61.6	442	.	24	1	4	2	"InChI=1S/C7H7NO3.2C6H5.Sn/c8-4-1-2-5(7(10)11)6(9)3-4;2*1-2-4-6-5-3-1;/h1-3,9H,8H2,(H,10,11);2*1-5H;/q;;;+2/p-2"	C1=CC=C(C=C1)[Sn]2(OC3=C(C=CC(=C3)N)C(=O)O2)C4=CC=CC=C4	ZZZTUTZUPNGAHB-UHFFFAOYSA-L
DG65166	"2,2-Dibutyl-6,8-diiodo-1,3,2-benzodioxastannin-4-one"	16683128	"NSC628563; ZINC195997897; NSC-628563; NCI60_009204; 2,2-dibutyl-6,8-diiodo-1,3,2-benzodioxastannin-4-one; 2,2-Dibutyl-6,8-diiodo-4H-1,3,2-benzodioxastannin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628563	.	.	.	.	620.84	C15H20I2O3Sn	35.5	359	.	21	0	3	6	"InChI=1S/C7H4I2O3.2C4H9.Sn/c8-3-1-4(7(11)12)6(10)5(9)2-3;2*1-3-4-2;/h1-2,10H,(H,11,12);2*1,3-4H2,2H3;/q;;;+2/p-2"	CCCC[Sn]1(OC2=C(C=C(C=C2I)I)C(=O)O1)CCCC	SEMYGSGDQLBXEG-UHFFFAOYSA-L
DG65167	"2,2-Dibutyl-8-methoxy-1,3,2-benzodioxastannin-4-one"	16683129	"NSC628564; ZINC195997907; NSC-628564; NCI60_009205; 2,2-dibutyl-8-methoxy-1,3,2-benzodioxastannin-4-one; 2,2-Dibutyl-8-methoxy-4H-1,3,2-benzodioxastannin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628564	.	.	.	.	399.1	C16H24O4Sn	44.8	339	.	21	0	4	7	"InChI=1S/C8H8O4.2C4H9.Sn/c1-12-6-4-2-3-5(7(6)9)8(10)11;2*1-3-4-2;/h2-4,9H,1H3,(H,10,11);2*1,3-4H2,2H3;/q;;;+2/p-2"	CCCC[Sn]1(OC2=C(C=CC=C2OC)C(=O)O1)CCCC	XCMZNKMJIGQMJI-UHFFFAOYSA-L
DG65168	"2-(2,2-ditert-butyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol"	16683130	"NSC628565; 2-(2,2-ditert-butyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol; Phenol, 2-[2,2-bis(1,1-dimethylethyl)-5,6-dihydro-2H-1,3,6,2-benzoxadiazastannocin-3(4H)-yl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628565	.	.	.	.	475.2	C22H32N2O2Sn	44.7	486	.	27	2	4	3	"InChI=1S/C14H15N2O2.2C4H9.Sn/c17-13-7-3-1-5-11(13)15-9-10-16-12-6-2-4-8-14(12)18;2*1-4(2)3;/h1-8,15,17-18H,9-10H2;2*1-3H3;/q-1;;;+2/p-1"	CC(C)(C)[Sn]1(N(CCNC2=CC=CC=C2O1)C3=CC=CC=C3O)C(C)(C)C	ZYZJGUXFWRZNSZ-UHFFFAOYSA-M
DG65169	"Tin, dibutyl[N-[(carboxy-kappaO)methyl]-N-[2-(hydroxy-kappaO)ethyl]glycinato(2-)-kappaN,kappaO]-"	16683131	"68239-46-3; Tin, dibutyl[N-[(carboxy-.kappa.O)methyl]-N-[2-(hydroxy-.kappa.O)ethyl]glycinato(2-)-.kappa.N,.kappa.O]-; EINECS 269-443-7; Dibutyltin hydroxyethyliminodiacetic acid; DTXSID1071325; NSC628566; Tin, dibutyl(N-((carboxy-kappaO)methyl)-N-(2-(hydroxy-kappaO)ethyl)glycinato(2-)-kappaN,kappaO)-; Dibutyl(N-(carboxymethyl)-N-(2-hydroxyethyl)glycinato(2-))tin; Tin, dibutyl(N-(carboxymethyl)-N-(2-hydroxyethyl)glycinato(2-))-; 2,2-dibutyl-6-(2-hydroxyethyl)-1,3,6,2-dioxazastannocane-4,8-dione; 4H-1,3,6,2-Dioxazastannocine-4,8(5H)-dione, 2,2-dibutyldihydro-6-(2-hydroxyethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628566	.	.	.	.	408.08	C14H27NO5Sn	76.1	320	.	21	1	6	8	"InChI=1S/C6H11NO5.2C4H9.Sn/c8-2-1-7(3-5(9)10)4-6(11)12;2*1-3-4-2;/h8H,1-4H2,(H,9,10)(H,11,12);2*1,3-4H2,2H3;/q;;;+2/p-2"	CCCC[Sn]1(OC(=O)CN(CC(=O)O1)CCO)CCCC	VCLJYKDNLQXFRL-UHFFFAOYSA-L
DG65170	"2-(2,2-Dibutyl-4,8-dioxo-1,3,6,2-dioxazastannocan-6-yl)acetamide"	16683133	"NSC628568; 2-(2,2-dibutyl-4,8-dioxo-1,3,6,2-dioxazastannocan-6-yl)acetamide; 6H-1,3,6,2-Dioxazastannocine-6-acetamide, 2,2-dibutyltetrahydro-4,8-dioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628568	.	.	.	.	421.08	C14H26N2O5Sn	98.9	386	.	22	1	6	8	"InChI=1S/C6H10N2O5.2C4H9.Sn/c7-4(9)1-8(2-5(10)11)3-6(12)13;2*1-3-4-2;/h1-3H2,(H2,7,9)(H,10,11)(H,12,13);2*1,3-4H2,2H3;/q;;;+2/p-2"	CCCC[Sn]1(OC(=O)CN(CC(=O)O1)CC(=O)N)CCCC	VFWPWJARKQKKHU-UHFFFAOYSA-L
DG65171	"2-(2,2-Dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid"	16683135	"NSC628570; 2-(2,2-dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid; 1,3,2-Oxazastannolidine-3-acetic acid, 5-oxo-2,2-bis(phenylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628570	.	.	.	.	432.1	C18H19NO4Sn	66.8	438	.	24	1	5	6	"InChI=1S/2C7H7.C4H6NO4.Sn/c2*1-7-5-3-2-4-6-7;6-3(7)1-5-2-4(8)9;/h2*2-6H,1H2;1-2H2,(H,6,7)(H,8,9);/q;;-1;+2/p-1"	C1C(=O)O[Sn](N1CC(=O)O)(CC2=CC=CC=C2)CC3=CC=CC=C3	SHAGVVLQEINOPO-UHFFFAOYSA-M
DG65172	"2,2-Dibenzyl-6-methyl-1,3,6,2-dioxazastannocane-4,8-dione"	16683136	"NSC628571; 2,2-dibenzyl-6-methyl-1,3,6,2-dioxazastannocane-4,8-dione; 4H-1,3,6,2-Dioxazastannocine-4,8(5H)-dione, dihydro-6-methyl-2,2-bis(phenylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628571	.	.	.	.	446.1	C19H21NO4Sn	55.8	430	.	25	0	5	4	"InChI=1S/2C7H7.C5H9NO4.Sn/c2*1-7-5-3-2-4-6-7;1-6(2-4(7)8)3-5(9)10;/h2*2-6H,1H2;2-3H2,1H3,(H,7,8)(H,9,10);/q;;;+2/p-2"	CN1CC(=O)O[Sn](OC(=O)C1)(CC2=CC=CC=C2)CC3=CC=CC=C3	RAPLJRKNJJSABY-UHFFFAOYSA-L
DG65173	[[(2-Aminobenzoyl)oxy-dibutyl-stannyl]oxy-dibutyl-stannyl] 2-aminobenzoate	16683137	NSC628573; [[(2-aminobenzoyl)oxy-dibutyl-stannyl]oxy-dibutyl-stannyl] 2-aminobenzoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628573	.	.	.	.	754.1	C30H48N2O5Sn2	114	652	.	39	2	7	20	"InChI=1S/2C7H7NO2.4C4H9.O.2Sn/c2*8-6-4-2-1-3-5(6)7(9)10;4*1-3-4-2;;;/h2*1-4H,8H2,(H,9,10);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2"	CCCC[Sn](CCCC)(OC(=O)C1=CC=CC=C1N)O[Sn](CCCC)(CCCC)OC(=O)C2=CC=CC=C2N	VFPKQTFSBKDLSG-UHFFFAOYSA-L
DG65174	"2-(2,2-Dibutyl-8-oxo-1,3,6,2-oxadiazastannocan-3-yl)acetic acid"	16683138	"NSC628574; 2-(2,2-dibutyl-8-oxo-1,3,6,2-oxadiazastannocan-3-yl)acetic acid; 2H-1,3,6,2-Oxadiazastannocine-3(4H)-acetic acid, 2,2-dibutyltetrahydro-8-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628574	.	.	.	.	407.09	C14H28N2O4Sn	78.9	344	.	21	2	6	8	"InChI=1S/C6H11N2O4.2C4H9.Sn/c9-5(10)3-7-1-2-8-4-6(11)12;2*1-3-4-2;/h7H,1-4H2,(H,9,10)(H,11,12);2*1,3-4H2,2H3;/q-1;;;+2/p-1"	CCCC[Sn]1(N(CCNCC(=O)O1)CC(=O)O)CCCC	ZRDSDBZZIKPRHI-UHFFFAOYSA-M
DG65175	"2-(2,2-Dioctyl-8-oxo-1,3,6,2-oxadiazastannocan-3-yl)acetic acid"	16683139	"NSC628575; 2-(2,2-dioctyl-8-oxo-1,3,6,2-oxadiazastannocan-3-yl)acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628575	.	.	.	.	519.299	C22H44N2O4Sn	78.9	446	.	29	2	6	16	"InChI=1S/2C8H17.C6H11N2O4.Sn/c2*1-3-5-7-8-6-4-2;9-5(10)3-7-1-2-8-4-6(11)12;/h2*1,3-8H2,2H3;7H,1-4H2,(H,9,10)(H,11,12);/q;;-1;+2/p-1"	CCCCCCCC[Sn]1(N(CCNCC(=O)O1)CC(=O)O)CCCCCCCC	ULVKHAHTZFBZCX-UHFFFAOYSA-M
DG65176	"2-[2-(2,2-Dimethyl-5-oxo-1,3,2-oxazastannolidin-3-yl)ethylamino]acetic acid"	16683140	"NSC628576; Glycine, N-[2-(2,2-dimethyl-5-oxo-1,3,2-oxazastannolidin-3-yl)ethyl]-; 2-[2-(2,2-dimethyl-5-oxo-1,3,2-oxazastannolidin-3-yl)ethylamino]acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628576	.	.	.	.	322.93	C8H16N2O4Sn	78.9	269	.	15	2	6	5	"InChI=1S/C6H11N2O4.2CH3.Sn/c9-5(10)3-7-1-2-8-4-6(11)12;;;/h7H,1-4H2,(H,9,10)(H,11,12);2*1H3;/q-1;;;+2/p-1"	C[Sn]1(N(CC(=O)O1)CCNCC(=O)O)C	KEZOGKQAIHEDSP-UHFFFAOYSA-M
DG65177	"2-(2,2-dibutyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol"	16683141	"NSC628577; 2-(2,2-dibutyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol; Phenol, 2-(2,2-dibutyl-5,6-dihydro-2H-1,3,6,2-benzoxadiazastannocin-3(4H)-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628577	.	.	.	.	475.2	C22H32N2O2Sn	44.7	429	.	27	2	4	7	"InChI=1S/C14H15N2O2.2C4H9.Sn/c17-13-7-3-1-5-11(13)15-9-10-16-12-6-2-4-8-14(12)18;2*1-3-4-2;/h1-8,15,17-18H,9-10H2;2*1,3-4H2,2H3;/q-1;;;+2/p-1"	CCCC[Sn]1(N(CCNC2=CC=CC=C2O1)C3=CC=CC=C3O)CCCC	BTPJVKSGKIHNCX-UHFFFAOYSA-M
DG65178	"4,4-Dibutyl-3,5-dioxa-11-aza-4-stannabicyclo[5.3.1]undeca-1(10),7-diene-2,6,9-trione"	16683144	"NSC628580; 4,4-dibutyl-3,5-dioxa-11-aza-4-stannabicyclo[5.3.1]undeca-1(10),7-diene-2,6,9-trione; 4-Oxo-1-.lambda.~2~-stannanyl-1,4-dihydro-2,6-pyridinedicarboxylic acid compound with butane (1:2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628580	.	.	.	.	414.04	C15H21NO5Sn	81.7	506	.	22	1	6	6	"InChI=1S/C7H5NO5.2C4H9.Sn/c9-3-1-4(6(10)11)8-5(2-3)7(12)13;2*1-3-4-2;/h1-2H,(H,8,9)(H,10,11)(H,12,13);2*1,3-4H2,2H3;/q;;;+2/p-2"	CCCC[Sn]1(OC(=O)C2=CC(=O)C=C(N2)C(=O)O1)CCCC	ITOSYRCLADCCAX-UHFFFAOYSA-L
DG65179	Dibutyl-bis(8-quinolyloxy)stannane	16683146	NSC628587; GNF-Pf-448; dibutyl-bis(8-quinolyloxy)stannane; ZINC195998082; NSC-628587; NCI60_009229; 8-((Dibutyl(8-quinolinyloxy)stannyl)oxy)quinoline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628587	.	.	.	.	521.2	C26H30N2O2Sn	44.2	488	.	31	0	4	10	"InChI=1S/2C9H7NO.2C4H9.Sn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-3-4-2;/h2*1-6,11H;2*1,3-4H2,2H3;/q;;;;+2/p-2"	CCCC[Sn](CCCC)(OC1=CC=CC2=C1N=CC=C2)OC3=CC=CC4=C3N=CC=C4	RHELNBIZSJLYLJ-UHFFFAOYSA-L
DG65180	Diphenyl-bis(8-quinolyloxy)stannane	16683148	NSC628591; diphenyl-bis(8-quinolyloxy)stannane; ZINC195998101; NSC-628591; NCI60_009233; 8-((Diphenyl(8-quinolinyloxy)stannyl)oxy)quinoline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628591	.	.	.	.	561.2	C30H22N2O2Sn	44.2	609	.	35	0	4	6	"InChI=1S/2C9H7NO.2C6H5.Sn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-2-4-6-5-3-1;/h2*1-6,11H;2*1-5H;/q;;;;+2/p-2"	C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(OC3=CC=CC4=C3N=CC=C4)OC5=CC=CC6=C5N=CC=C6	AKJXSKGJAIBMJQ-UHFFFAOYSA-L
DG65181	Bis(8-quinolyloxy)-divinyl-stannane	16683149	NSC628593; bis(8-quinolyloxy)-divinyl-stannane; ZINC195998116; NSC-628593; NCI60_009235; Ethylene compound with 8-(((8-quinolinyloxy)-.lambda.~2~-stannanyl)oxy)quinoline (2:1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628593	.	.	.	.	461.1	C22H18N2O2Sn	44.2	482	.	27	0	4	6	"InChI=1S/2C9H7NO.2C2H3.Sn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-2;/h2*1-6,11H;2*1H,2H2;/q;;;;+2/p-2"	C=C[Sn](C=C)(OC1=CC=CC2=C1N=CC=C2)OC3=CC=CC4=C3N=CC=C4	DDASWQGZVMLOSU-UHFFFAOYSA-L
DG65182	[(2-Benzamidoacetyl)oxy-diphenyl-plumbyl] 2-benzamidoacetate	16683150	NSC628682; [(2-benzamidoacetyl)oxy-diphenyl-plumbyl] 2-benzamidoacetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628682	.	.	.	.	718	C30H26N2O6Pb	111	759	.	39	2	6	12	"InChI=1S/2C9H9NO3.2C6H5.Pb/c2*11-8(12)6-10-9(13)7-4-2-1-3-5-7;2*1-2-4-6-5-3-1;/h2*1-5H,6H2,(H,10,13)(H,11,12);2*1-5H;/q;;;;+2/p-2"	C1=CC=C(C=C1)C(=O)NCC(=O)O[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)CNC(=O)C4=CC=CC=C4	MBRYLPJVYBFSGO-UHFFFAOYSA-L
DG65183	[(2-Benzamido-4-methyl-pentanoyl)oxy-diphenyl-plumbyl] 2-benzamido-4-methyl-pentanoate	16683151	NSC628683; [(2-benzamido-4-methyl-pentanoyl)oxy-diphenyl-plumbyl] 2-benzamido-4-methyl-pentanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628683	.	.	.	.	830	C38H42N2O6Pb	111	930	.	47	2	6	16	"InChI=1S/2C13H17NO3.2C6H5.Pb/c2*1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10;2*1-2-4-6-5-3-1;/h2*3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17);2*1-5H;/q;;;;+2/p-2"	CC(C)CC(C(=O)O[Pb](C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C(CC(C)C)NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4	BZFUIJBYZCHBQU-UHFFFAOYSA-L
DG65184	[(2-Formamido-3-phenyl-propanoyl)oxy-diphenyl-plumbyl] 2-formamido-3-phenyl-propanoate	16683152	"NSC628684; [(2-formamido-3-phenyl-propanoyl)oxy-diphenyl-plumbyl] 2-formamido-3-phenyl-propanoate; Formamide, [2,6,9-trioxo-4,4-diphenyl-1,7-bis(phenylmethyl)-3,5-dioxa-8-aza-4-plumbanon-1-yl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628684	.	.	.	.	746	C32H30N2O6Pb	111	764	.	41	2	6	14	"InChI=1S/2C10H11NO3.2C6H5.Pb/c2*12-7-11-9(10(13)14)6-8-4-2-1-3-5-8;2*1-2-4-6-5-3-1;/h2*1-5,7,9H,6H2,(H,11,12)(H,13,14);2*1-5H;/q;;;;+2/p-2"	C1=CC=C(C=C1)CC(C(=O)O[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)C(CC4=CC=CC=C4)NC=O)NC=O	MXLHETUGCNIIPK-UHFFFAOYSA-L
DG65185	[(4-Aminobenzoyl)oxy-diphenyl-plumbyl] 4-aminobenzoate	16683154	"NSC628686; [(4-aminobenzoyl)oxy-diphenyl-plumbyl] 4-aminobenzoate; Benzenamine, 4,4'-[(diphenylplumbylene)bis(oxycarbonyl)]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628686	.	.	.	.	634	C26H22N2O4Pb	105	591	.	33	2	6	8	"InChI=1S/2C7H7NO2.2C6H5.Pb/c2*8-6-3-1-5(2-4-6)7(9)10;2*1-2-4-6-5-3-1;/h2*1-4H,8H2,(H,9,10);2*1-5H;/q;;;;+2/p-2"	C1=CC=C(C=C1)[Pb](C2=CC=CC=C2)(OC(=O)C3=CC=C(C=C3)N)OC(=O)C4=CC=C(C=C4)N	BPMGWPCNWITOQC-UHFFFAOYSA-L
DG65186	"Plumbane, diphenylbis[[(phenylthio)acetyl]oxy]-"	16683155	"NSC628687; Plumbane, diphenylbis[[(phenylthio)acetyl]oxy]-; [diphenyl-(2-phenylsulfanylacetyl)oxy-plumbyl] 2-phenylsulfanylacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628687	.	.	.	.	696	C28H24O4PbS2	103	595	.	35	0	6	12	"InChI=1S/2C8H8O2S.2C6H5.Pb/c2*9-8(10)6-11-7-4-2-1-3-5-7;2*1-2-4-6-5-3-1;/h2*1-5H,6H2,(H,9,10);2*1-5H;/q;;;;+2/p-2"	C1=CC=C(C=C1)SCC(=O)O[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)CSC4=CC=CC=C4	MHHROWFBLHTHPX-UHFFFAOYSA-L
DG65187	Triphenylplumbyl 2-benzamidoacetate	16683156	"triphenylplumbyl 2-benzamidoacetate; NSC628688; Benzamide, N-[2-oxo-2-[(triphenylplumbyl)oxy]ethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628688	.	.	.	.	617	C27H23NO3Pb	55.4	555	.	32	1	3	8	"InChI=1S/C9H9NO3.3C6H5.Pb/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;3*1-2-4-6-5-3-1;/h1-5H,6H2,(H,10,13)(H,11,12);3*1-5H;/q;;;;+1/p-1"	C1=CC=C(C=C1)C(=O)NCC(=O)O[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4	OCOHAFZLEQEPSR-UHFFFAOYSA-M
DG65188	Triphenylplumbyl 2-benzamido-4-methyl-pentanoate	16683157	"NSC628689; triphenylplumbyl 2-benzamido-4-methyl-pentanoate; Benzamide, N-[3-methyl-1-[[(triphenylplumbyl)oxy]carbonyl]butyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628689	.	.	.	.	673	C31H31NO3Pb	55.4	640	.	36	1	3	10	"InChI=1S/C13H17NO3.3C6H5.Pb/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10;3*1-2-4-6-5-3-1;/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17);3*1-5H;/q;;;;+1/p-1"	CC(C)CC(C(=O)O[Pb](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4	OYYAVILUDHUUGG-UHFFFAOYSA-M
DG65189	Triphenylplumbyl 2-formamido-3-phenyl-propanoate	16683158	"NSC628690; triphenylplumbyl 2-formamido-3-phenyl-propanoate; Formamide, [2-oxo-1-(phenylmethyl)-2-[(triphenylplumbyl)oxy]ethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628690	.	.	.	.	631	C28H25NO3Pb	55.4	557	.	33	1	3	9	"InChI=1S/C10H11NO3.3C6H5.Pb/c12-7-11-9(10(13)14)6-8-4-2-1-3-5-8;3*1-2-4-6-5-3-1;/h1-5,7,9H,6H2,(H,11,12)(H,13,14);3*1-5H;/q;;;;+1/p-1"	C1=CC=C(C=C1)CC(C(=O)O[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC=O	MZUNZAVGNHBCPJ-UHFFFAOYSA-M
DG65190	Triphenylplumbyl 2-acetamido-3-phenyl-propanoate	16683159	"NSC628691; triphenylplumbyl 2-acetamido-3-phenyl-propanoate; Acetamide, N-[2-oxo-1-(phenylmethyl)-2-[(triphenylplumbyl)oxy]ethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628691	.	.	.	.	645	C29H27NO3Pb	55.4	598	.	34	1	3	9	"InChI=1S/C11H13NO3.3C6H5.Pb/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9;3*1-2-4-6-5-3-1;/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15);3*1-5H;/q;;;;+1/p-1"	CC(=O)NC(CC1=CC=CC=C1)C(=O)O[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4	LZASNQRABFTQAD-UHFFFAOYSA-M
DG65191	Triphenylplumbyl 4-aminobenzoate	16683160	"triphenylplumbyl 4-aminobenzoate; NSC628692; Benzenamine, 4-[[(triphenylplumbyl)oxy]carbonyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628692	.	.	.	.	574	C25H21NO2Pb	52.3	467	.	29	1	3	6	"InChI=1S/C7H7NO2.3C6H5.Pb/c8-6-3-1-5(2-4-6)7(9)10;3*1-2-4-6-5-3-1;/h1-4H,8H2,(H,9,10);3*1-5H;/q;;;;+1/p-1"	C1=CC=C(C=C1)[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)N	ZWRZOSDBPKAYQR-UHFFFAOYSA-M
DG65192	Triphenylplumbyl 2-phenylsulfanylacetate	16683161	"NSC628693; triphenylplumbyl 2-phenylsulfanylacetate; Plumbane, triphenyl[[(phenylthio)acetyl]oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628693	.	.	.	.	606	C26H22O2PbS	51.6	470	.	30	0	3	8	"InChI=1S/C8H8O2S.3C6H5.Pb/c9-8(10)6-11-7-4-2-1-3-5-7;3*1-2-4-6-5-3-1;/h1-5H,6H2,(H,9,10);3*1-5H;/q;;;;+1/p-1"	C1=CC=C(C=C1)SCC(=O)O[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4	WHKHOCPHMKLDIW-UHFFFAOYSA-M
DG65193	"2,2-Dibutyl-[1,3,2]dioxastannino[4,5-b]pyridin-4-one"	16683162	"NSC633495; NSC-633495; NCI60_011134; 2,2-dibutyl-[1,3,2]dioxastannino[4,5-b]pyridin-4-one; 2,2-Dibutyl-4H-[1,3,2]dioxastannino[4,5-b]pyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633495	.	.	.	.	370.03	C14H21NO3Sn	48.4	303	.	19	0	4	6	"InChI=1S/C6H5NO3.2C4H9.Sn/c8-5-4(6(9)10)2-1-3-7-5;2*1-3-4-2;/h1-3H,(H,7,8)(H,9,10);2*1,3-4H2,2H3;/q;;;+2/p-2"	CCCC[Sn]1(OC2=C(C=CC=N2)C(=O)O1)CCCC	FQVZYUVDLURQDA-UHFFFAOYSA-L
DG65194	"2,2-Dibutyl-6-methyl-4H-[1,3,2]dioxastannino[5,4-b]pyridine"	16683164	"NSC633497; ZINC195998150; NSC-633497; NCI60_011136; 2,2-Dibutyl-6-methyl-4H-[1,3,2]dioxastannino[5,4-b]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633497	.	.	.	.	370.07	C15H25NO2Sn	31.4	267	.	19	0	3	6	"InChI=1S/C7H8NO2.2C4H9.Sn/c1-5-2-3-7(10)6(4-9)8-5;2*1-3-4-2;/h2-3,10H,4H2,1H3;2*1,3-4H2,2H3;/q-1;;;+2/p-1"	CCCC[Sn]1(OCC2=C(O1)C=CC(=N2)C)CCCC	PKONRJBNSRZWNS-UHFFFAOYSA-M
DG65195	"2,2-Dibutyl-1,3,4,2-benzodioxazastannepine"	16683165	"NSC633498; ZINC195998159; NSC-633498; NCI60_011137; 2,2-Dibutyl-1,3,4,2-benzodioxazastannepine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633498	.	.	.	.	368.06	C15H23NO2Sn	30.8	288	.	19	0	3	6	"InChI=1S/C7H7NO2.2C4H9.Sn/c9-7-4-2-1-3-6(7)5-8-10;2*1-3-4-2;/h1-5,9-10H;2*1,3-4H2,2H3;/q;;;+2/p-2"	CCCC[Sn]1(OC2=CC=CC=C2C=NO1)CCCC	HYDNNXIUXSPNHY-UHFFFAOYSA-L
DG65196	"2,2-Dibutyl-5-(2-pyridyl)-1,3,4,2-dioxathiastannolane 4,4-dioxide"	16683167	"NSC633501; NSC-633501; NCI60_011140; 2,2-dibutyl-5-(2-pyridyl)-1,3,4,2-dioxathiastannolane 4,4-dioxide; 2-(2,2-Dibutyl-4,4-dioxido-1,3,4,2-dioxathiastannolan-5-yl)pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633501	.	.	.	.	420.1	C14H23NO4SSn	73.9	415	.	21	0	5	7	"InChI=1S/C6H6NO4S.2C4H9.Sn/c8-6(12(9,10)11)5-3-1-2-4-7-5;2*1-3-4-2;/h1-4,6H,(H,9,10,11);2*1,3-4H2,2H3;/q-1;;;+2/p-1"	CCCC[Sn]1(OC(S(=O)(=O)O1)C2=CC=CC=N2)CCCC	IQIDREHHBOIYBU-UHFFFAOYSA-M
DG65197	"2,2-Dibutyl-[1,3,2]oxathiastannino[4,5-b]pyridin-4-one"	16683168	"NSC633502; ZINC195998202; NSC-633502; NCI60_011141; 2,2-dibutyl-[1,3,2]oxathiastannino[4,5-b]pyridin-4-one; 2,2-Dibutyl-4H-[1,3,2]oxathiastannino[4,5-b]pyridin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633502	.	.	.	.	386.1	C14H21NO2SSn	64.5	306	.	19	0	4	6	"InChI=1S/C6H5NO2S.2C4H9.Sn/c8-6(9)4-2-1-3-7-5(4)10;2*1-3-4-2;/h1-3H,(H,7,10)(H,8,9);2*1,3-4H2,2H3;/q;;;+2/p-2"	CCCC[Sn]1(OC(=O)C2=C(S1)N=CC=C2)CCCC	FVTUEYBZUJNBQU-UHFFFAOYSA-L
DG65198	"2,2-Dibutyl-6-methyl-1,3,2-benzodioxastannin-4-one"	16683171	"NSC633505; ZINC195998235; NSC-633505; NCI60_011144; 2,2-dibutyl-6-methyl-1,3,2-benzodioxastannin-4-one; 2,2-Dibutyl-6-methyl-4H-1,3,2-benzodioxastannin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633505	.	.	.	.	383.1	C16H24O3Sn	35.5	324	.	20	0	3	6	"InChI=1S/C8H8O3.2C4H9.Sn/c1-5-2-3-7(9)6(4-5)8(10)11;2*1-3-4-2;/h2-4,9H,1H3,(H,10,11);2*1,3-4H2,2H3;/q;;;+2/p-2"	CCCC[Sn]1(OC2=C(C=C(C=C2)C)C(=O)O1)CCCC	VETAQHGIJKJLOZ-UHFFFAOYSA-L
DG65199	"2-(8-Oxo-2,2-diphenyl-1,3,6,2-oxadiazastannocan-3-yl)acetic acid"	16683173	"NSC633507; 2-(8-oxo-2,2-diphenyl-1,3,6,2-oxadiazastannocan-3-yl)acetic acid; 2H-1,3,6,2-Oxadiazastannocine-3(4H)-acetic acid, tetrahydro-8-oxo-2,2-diphenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633507	.	.	.	.	447.1	C18H20N2O4Sn	78.9	458	.	25	2	6	4	"InChI=1S/C6H11N2O4.2C6H5.Sn/c9-5(10)3-7-1-2-8-4-6(11)12;2*1-2-4-6-5-3-1;/h7H,1-4H2,(H,9,10)(H,11,12);2*1-5H;/q-1;;;+2/p-1"	C1CN([Sn](OC(=O)CN1)(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O	HSTVUKNHRFGHEQ-UHFFFAOYSA-M
DG65200	"4-Benzyl-2,2-dibutyl-1,3,2-dioxastannolane"	16683174	"NSC633509; NSC-633509; NCI60_011148; 4-Benzyl-2,2-dibutyl-1,3,2-dioxastannolane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633509	.	.	.	.	383.1	C17H28O2Sn	18.5	256	.	20	0	2	8	"InChI=1S/C9H10O2.2C4H9.Sn/c10-7-9(11)6-8-4-2-1-3-5-8;2*1-3-4-2;/h1-5,9H,6-7H2;2*1,3-4H2,2H3;/q-2;;;+2"	CCCC[Sn]1(OCC(O1)CC2=CC=CC=C2)CCCC	ABHXUASUHISUOV-UHFFFAOYSA-N
DG65201	"1-((2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl)piperidine"	16683175	"NSC633510; 1-((2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl)piperidine; 1-[(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl]piperidine; NSC-633510; NCI60_011149"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633510	.	.	.	.	390.1	C16H33NO2Sn	21.7	261	.	20	0	3	8	"InChI=1S/C8H15NO2.2C4H9.Sn/c10-7-8(11)6-9-4-2-1-3-5-9;2*1-3-4-2;/h8H,1-7H2;2*1,3-4H2,2H3;/q-2;;;+2"	CCCC[Sn]1(OCC(O1)CN2CCCCC2)CCCC	HVGIUPJHENJJGG-UHFFFAOYSA-N
DG65202	"4-((2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl)morpholine"	16683176	"NSC633511; 4-((2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl)morpholine; 4-[(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl]morpholine; NSC-633511; NCI60_011150"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633511	.	.	.	.	392.12	C15H31NO3Sn	30.9	264	.	20	0	4	8	"InChI=1S/C7H13NO3.2C4H9.Sn/c9-6-7(10)5-8-1-3-11-4-2-8;2*1-3-4-2;/h7H,1-6H2;2*1,3-4H2,2H3;/q-2;;;+2"	CCCC[Sn]1(OCC(O1)CN2CCOCC2)CCCC	ZGBONOUZBPJZFF-UHFFFAOYSA-N
DG65203	"N-Benzyl(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine"	16683177	"NSC633512; NSC-633512; NCI60_011151; N-Benzyl(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine; N-Benzyl-N-((2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl)-N-methylamine; N-[(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl]-N-methyl-1-phenyl-methanamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633512	.	.	.	.	426.2	C19H33NO2Sn	21.7	313	.	23	0	3	10	"InChI=1S/C11H15NO2.2C4H9.Sn/c1-12(8-11(14)9-13)7-10-5-3-2-4-6-10;2*1-3-4-2;/h2-6,11H,7-9H2,1H3;2*1,3-4H2,2H3;/q-2;;;+2"	CCCC[Sn]1(OCC(O1)CN(C)CC2=CC=CC=C2)CCCC	VZPKQBKTFYTNPJ-UHFFFAOYSA-N
DG65204	[(2-Aminoacetyl)oxy-dibutyl-stannyl] 2-aminoacetate	16683179	NSC633514; ZINC195998360; NSC-633514; NCI60_011153; [(2-aminoacetyl)oxy-dibutyl-stannyl] 2-aminoacetate; 2-((((Aminoacetyl)oxy)(dibutyl)stannyl)oxy)-2-oxoethanamine; 2-((((Aminoacetyl)oxy)(dibutyl)stannyl)oxy)-2-oxoethylamine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633514	.	.	.	.	381.06	C12H26N2O4Sn	105	259	.	19	2	6	12	"InChI=1S/2C4H9.2C2H5NO2.Sn/c2*1-3-4-2;2*3-1-2(4)5;/h2*1,3-4H2,2H3;2*1,3H2,(H,4,5);/q;;;;+2/p-2"	CCCC[Sn](CCCC)(OC(=O)CN)OC(=O)CN	GRBLPHJTEPRUFT-UHFFFAOYSA-L
DG65205	[(2-Amino-3-methylsulfanyl-propanoyl)oxy-dibutyl-stannyl] 2-amino-3-methylsulfanyl-propanoate	16683180	"NSC633515; NSC-633515; NCI60_011154; 7,7-Dibutyl-5,9-dioxo-6,8-dioxa-2,12-dithia-7-stannatridecane-4,10-diamine; [(2-amino-3-methylsulfanyl-propanoyl)oxy-dibutyl-stannyl] 2-amino-3-methylsulfanyl-propanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633515	.	.	.	.	501.3	C16H34N2O4S2Sn	155	366	.	25	2	8	16	"InChI=1S/2C4H9NO2S.2C4H9.Sn/c2*1-8-2-3(5)4(6)7;2*1-3-4-2;/h2*3H,2,5H2,1H3,(H,6,7);2*1,3-4H2,2H3;/q;;;;+2/p-2"	CCCC[Sn](CCCC)(OC(=O)C(CSC)N)OC(=O)C(CSC)N	DETYOARHVFQRAC-UHFFFAOYSA-L
DG65206	[Dibutyl-(5-oxopyrrolidine-2-carbonyl)oxy-stannyl] 5-oxopyrrolidine-2-carboxylate	16683181	NSC633516; NSC-633516; NCI60_011155; [dibutyl-(5-oxopyrrolidine-2-carbonyl)oxy-stannyl] 5-oxopyrrolidine-2-carboxylate; 5-(((Dibutyl(((5-oxo-2-pyrrolidinyl)carbonyl)oxy)stannyl)oxy)carbonyl)-2-pyrrolidinone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633516	.	.	.	.	489.2	C18H30N2O6Sn	111	532	.	27	2	6	12	"InChI=1S/2C5H7NO3.2C4H9.Sn/c2*7-4-2-1-3(6-4)5(8)9;2*1-3-4-2;/h2*3H,1-2H2,(H,6,7)(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2"	CCCC[Sn](CCCC)(OC(=O)C1CCC(=O)N1)OC(=O)C2CCC(=O)N2	MPDSKQBYIDMGJJ-UHFFFAOYSA-L
DG65207	"2,2-Dibutyl-4-((2,4,6-trichlorophenoxy)methyl)-1,3,2-dioxastannolane"	16683182	"NSC636803; 2,2-Dibutyl-4-((2,4,6-trichlorophenoxy)methyl)-1,3,2-dioxastannolane; 2,2-dibutyl-4-[(2,4,6-trichlorophenoxy)methyl]-1,3,2-dioxastannolane; NSC-636803; NCI60_012195"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636803	.	.	.	.	502.4	C17H25Cl3O3Sn	27.7	355	.	24	0	3	9	"InChI=1S/C9H7Cl3O3.2C4H9.Sn/c10-5-1-7(11)9(8(12)2-5)15-4-6(14)3-13;2*1-3-4-2;/h1-2,6H,3-4H2;2*1,3-4H2,2H3;/q-2;;;+2"	CCCC[Sn]1(OCC(O1)COC2=C(C=C(C=C2Cl)Cl)Cl)CCCC	JRPGLHOGWXXNRS-UHFFFAOYSA-N
DG65208	"Dibutyl(bis((3,4,5-trimethoxybenzoyl)oxy))stannane"	16683185	"NSC643835; ZINC195998448; NSC-643835; NCI60_014869; Dibutyl(bis((3,4,5-trimethoxybenzoyl)oxy))stannane; [dibutyl-(3,4,5-trimethoxybenzoyl)oxy-stannyl] 3,4,5-trimethoxybenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643835	.	.	.	.	655.3	C28H40O10Sn	108	649	.	39	0	10	18	"InChI=1S/2C10H12O5.2C4H9.Sn/c2*1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;2*1-3-4-2;/h2*4-5H,1-3H3,(H,11,12);2*1,3-4H2,2H3;/q;;;;+2/p-2"	CCCC[Sn](CCCC)(OC(=O)C1=CC(=C(C(=C1)OC)OC)OC)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC	JFRMRNAMFYAHPG-UHFFFAOYSA-L
DG65209	"[Diethyl-(2,3,4-trimethoxybenzoyl)oxy-stannyl] 2,3,4-trimethoxybenzoate"	16683186	"NSC643836; diethyltin trimethoxybenzoate; NSC-643836; NCI60_014870; Diethyl(bis((2,3,4-trimethoxybenzoyl)oxy))stannane; [diethyl-(2,3,4-trimethoxybenzoyl)oxy-stannyl] 2,3,4-trimethoxybenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643836	.	.	.	.	599.2	C24H32O10Sn	108	621	.	35	0	10	14	"InChI=1S/2C10H12O5.2C2H5.Sn/c2*1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3;2*1-2;/h2*4-5H,1-3H3,(H,11,12);2*1H2,2H3;/q;;;;+2/p-2"	CC[Sn](CC)(OC(=O)C1=C(C(=C(C=C1)OC)OC)OC)OC(=O)C2=C(C(=C(C=C2)OC)OC)OC	OVUXKBCZVCGNNU-UHFFFAOYSA-L
DG65210	"[Dibutyl-(2,6-difluorobenzoyl)oxy-stannyl] 2,6-difluorobenzoate"	16683188	"NSC643841; NSC-643841; NCI60_014875; Dibutyl(bis((2,6-difluorobenzoyl)oxy))stannane; [dibutyl-(2,6-difluorobenzoyl)oxy-stannyl] 2,6-difluorobenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643841	.	.	.	.	547.1	C22H24F4O4Sn	52.6	524	.	31	0	8	12	"InChI=1S/2C7H4F2O2.2C4H9.Sn/c2*8-4-2-1-3-5(9)6(4)7(10)11;2*1-3-4-2;/h2*1-3H,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2"	CCCC[Sn](CCCC)(OC(=O)C1=C(C=CC=C1F)F)OC(=O)C2=C(C=CC=C2F)F	LFPHODRBEOHWJR-UHFFFAOYSA-L
DG65211	Di-n-butyltin bis(3-amino-4-methylbenzoate)	16683189	"Di-n-butyltin bis(3-amino-4-methylbenzoate); NSC643845; 141368-91-4; 3,3'-((Dibutylstannylene)bis(oxycarbonyl))bis(6-methylbenzenamine); Benzenamine, 3,3'-((dibutylstannylene)bis(oxycarbonyl))bis(6-methyl-; NSC-643845; NCI60_014879; [(3-amino-4-methyl-benzoyl)oxy-dibutyl-stannyl] 3-amino-4-methyl-benzoate; [(3-amino-4-methylbenzoyl)oxy-dibutylstannyl] 3-amino-4-methylbenzoate; 5-(((((3-Amino-4-methylbenzoyl)oxy)(dibutyl)stannyl)oxy)carbonyl)-2-methylaniline; 5-(((((3-Amino-4-methylbenzoyl)oxy)(dibutyl)stannyl)oxy)carbonyl)-2-methylphenylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643845	.	.	.	.	533.2	C24H34N2O4Sn	105	538	.	31	2	6	12	"InChI=1S/2C8H9NO2.2C4H9.Sn/c2*1-5-2-3-6(8(10)11)4-7(5)9;2*1-3-4-2;/h2*2-4H,9H2,1H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2"	CCCC[Sn](CCCC)(OC(=O)C1=CC(=C(C=C1)C)N)OC(=O)C2=CC(=C(C=C2)C)N	BOBXEBITHZKWLW-UHFFFAOYSA-L
DG65212	"1,1,3,3-Tetraethyl-1,3-bis((3,4,5-trimethoxybenzoyl)oxy)distannoxane"	16683190	"NSC643846; ZINC195998495; NSC-643846; NCI60_014880; 1,1,3,3-Tetraethyl-1,3-bis((3,4,5-trimethoxybenzoyl)oxy)distannoxane; [[diethyl-(3,4,5-trimethoxybenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 3,4,5-trimethoxybenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643846	.	.	.	.	792	C28H42O11Sn2	117	716	.	41	0	11	18	"InChI=1S/2C10H12O5.4C2H5.O.2Sn/c2*1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;4*1-2;;;/h2*4-5H,1-3H3,(H,11,12);4*1H2,2H3;;;/q;;;;;;;2*+1/p-2"	CC[Sn](CC)(OC(=O)C1=CC(=C(C(=C1)OC)OC)OC)O[Sn](CC)(CC)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC	NHHUXXBLMNRCPV-UHFFFAOYSA-L
DG65213	"1,1,3,3-Tetrabutyl-1,3-bis((2,3,4-trimethoxybenzoyl)oxy)distannoxane"	16683191	"NSC643847; Neuro_000324; NSC-643847; NCI60_014881; 1,1,3,3-Tetrabutyl-1,3-bis((2,3,4-trimethoxybenzoyl)oxy)distannoxane; [dibutyl-[dibutyl-(2,3,4-trimethoxybenzoyl)oxy-stannyl]oxy-stannyl] 2,3,4-trimethoxybenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643847	.	.	.	.	904.3	C36H58O11Sn2	117	853	.	49	0	11	26	"InChI=1S/2C10H12O5.4C4H9.O.2Sn/c2*1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3;4*1-3-4-2;;;/h2*4-5H,1-3H3,(H,11,12);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2"	CCCC[Sn](CCCC)(OC(=O)C1=C(C(=C(C=C1)OC)OC)OC)O[Sn](CCCC)(CCCC)OC(=O)C2=C(C(=C(C=C2)OC)OC)OC	GPLUHLHQOLIMEW-UHFFFAOYSA-L
DG65214	"1,1,3,3-Tetrabutyl-1,3-bis((2,4,5-trimethoxybenzoyl)oxy)distannoxane"	16683192	"NSC643848; NSC-643848; NCI60_014882; 1,1,3,3-Tetrabutyl-1,3-bis((2,4,5-trimethoxybenzoyl)oxy)distannoxane; [dibutyl-[dibutyl-(2,4,5-trimethoxybenzoyl)oxy-stannyl]oxy-stannyl] 2,4,5-trimethoxybenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643848	.	.	.	.	904.3	C36H58O11Sn2	117	853	.	49	0	11	26	"InChI=1S/2C10H12O5.4C4H9.O.2Sn/c2*1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12;4*1-3-4-2;;;/h2*4-5H,1-3H3,(H,11,12);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2"	CCCC[Sn](CCCC)(OC(=O)C1=CC(=C(C=C1OC)OC)OC)O[Sn](CCCC)(CCCC)OC(=O)C2=CC(=C(C=C2OC)OC)OC	QWMWCVZTYBLTQM-UHFFFAOYSA-L
DG65215	[[Diethyl-(2-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 2-fluorobenzoate	16683193	"NSC643849; NSC-643849; NCI60_014883; 1,1,3,3-Tetraethyl-1,3-bis((2-fluorobenzoyl)oxy)distannoxane; [[diethyl-(2-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 2-fluorobenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643849	.	.	.	.	647.9	C22H28F2O5Sn2	61.8	549	.	31	0	7	12	"InChI=1S/2C7H5FO2.4C2H5.O.2Sn/c2*8-6-4-2-1-3-5(6)7(9)10;4*1-2;;;/h2*1-4H,(H,9,10);4*1H2,2H3;;;/q;;;;;;;2*+1/p-2"	CC[Sn](CC)(OC(=O)C1=CC=CC=C1F)O[Sn](CC)(CC)OC(=O)C2=CC=CC=C2F	CNUUBERLCTZYSJ-UHFFFAOYSA-L
DG65216	[[Diethyl-(3-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 3-fluorobenzoate	16683194	"NSC643850; NSC-643850; NCI60_014884; 1,1,3,3-Tetraethyl-1,3-bis((3-fluorobenzoyl)oxy)distannoxane; [[diethyl-(3-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 3-fluorobenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643850	.	.	.	.	647.9	C22H28F2O5Sn2	61.8	549	.	31	0	7	12	"InChI=1S/2C7H5FO2.4C2H5.O.2Sn/c2*8-6-3-1-2-5(4-6)7(9)10;4*1-2;;;/h2*1-4H,(H,9,10);4*1H2,2H3;;;/q;;;;;;;2*+1/p-2"	CC[Sn](CC)(OC(=O)C1=CC(=CC=C1)F)O[Sn](CC)(CC)OC(=O)C2=CC(=CC=C2)F	UEFYXQVSHOACMZ-UHFFFAOYSA-L
DG65217	[[Diethyl-(4-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 4-fluorobenzoate	16683195	"NSC643851; NSC-643851; NCI60_014885; 1,1,3,3-Tetraethyl-1,3-bis((4-fluorobenzoyl)oxy)distannoxane; [[diethyl-(4-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 4-fluorobenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643851	.	.	.	.	647.9	C22H28F2O5Sn2	61.8	533	.	31	0	7	12	"InChI=1S/2C7H5FO2.4C2H5.O.2Sn/c2*8-6-3-1-5(2-4-6)7(9)10;4*1-2;;;/h2*1-4H,(H,9,10);4*1H2,2H3;;;/q;;;;;;;2*+1/p-2"	CC[Sn](CC)(OC(=O)C1=CC=C(C=C1)F)O[Sn](CC)(CC)OC(=O)C2=CC=C(C=C2)F	DLMMBRDXIFLIFO-UHFFFAOYSA-L
DG65218	"1,3-Bis((2,6-difluorobenzoyl)oxy)-1,1,3,3-tetraethyldistannoxane"	16683196	"NSC643852; ZINC195998555; NSC-643852; NCI60_014886; 1,3-Bis((2,6-difluorobenzoyl)oxy)-1,1,3,3-tetraethyldistannoxane; [[(2,6-difluorobenzoyl)oxy-diethyl-stannyl]oxy-diethyl-stannyl] 2,6-difluorobenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643852	.	.	.	.	683.9	C22H26F4O5Sn2	61.8	589	.	33	0	9	12	"InChI=1S/2C7H4F2O2.4C2H5.O.2Sn/c2*8-4-2-1-3-5(9)6(4)7(10)11;4*1-2;;;/h2*1-3H,(H,10,11);4*1H2,2H3;;;/q;;;;;;;2*+1/p-2"	CC[Sn](CC)(OC(=O)C1=C(C=CC=C1F)F)O[Sn](CC)(CC)OC(=O)C2=C(C=CC=C2F)F	JZGXIXXBIRSRTK-UHFFFAOYSA-L
DG65219	"1,1,3,3-Tetrabutyl-1,3-bis((2,3-difluorobenzoyl)oxy)distannoxane"	16683197	"NSC643853; Neuro_000325; NSC-643853; NCI60_014887; 1,1,3,3-Tetrabutyl-1,3-bis((2,3-difluorobenzoyl)oxy)distannoxane; [dibutyl-[dibutyl-(2,3-difluorobenzoyl)oxy-stannyl]oxy-stannyl] 2,3-difluorobenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643853	.	.	.	.	796.1	C30H42F4O5Sn2	61.8	714	.	41	0	9	20	"InChI=1S/2C7H4F2O2.4C4H9.O.2Sn/c2*8-5-3-1-2-4(6(5)9)7(10)11;4*1-3-4-2;;;/h2*1-3H,(H,10,11);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2"	CCCC[Sn](CCCC)(OC(=O)C1=C(C(=CC=C1)F)F)O[Sn](CCCC)(CCCC)OC(=O)C2=C(C(=CC=C2)F)F	FCPQKTGLJQPTDZ-UHFFFAOYSA-L
DG65220	"1,1,3,3-Tetrabutyl-1,3-bis((3,5-difluorobenzoyl)oxy)distannoxane"	16683198	"NSC643854; NSC-643854; NCI60_014888; 1,1,3,3-Tetrabutyl-1,3-bis((3,5-difluorobenzoyl)oxy)distannoxane; [dibutyl-[dibutyl-(3,5-difluorobenzoyl)oxy-stannyl]oxy-stannyl] 3,5-difluorobenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643854	.	.	.	.	796.1	C30H42F4O5Sn2	61.8	694	.	41	0	9	20	"InChI=1S/2C7H4F2O2.4C4H9.O.2Sn/c2*8-5-1-4(7(10)11)2-6(9)3-5;4*1-3-4-2;;;/h2*1-3H,(H,10,11);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2"	CCCC[Sn](CCCC)(OC(=O)C1=CC(=CC(=C1)F)F)O[Sn](CCCC)(CCCC)OC(=O)C2=CC(=CC(=C2)F)F	RIHQCXQQFQCSHW-UHFFFAOYSA-L
DG65221	"1,1,3,3-Tetrabutyl-1,3-bis((2,5-difluorobenzoyl)oxy)distannoxane"	16683199	"NSC643855; Neuro_000326; NSC-643855; NCI60_014889; 1,1,3,3-Tetrabutyl-1,3-bis((2,5-difluorobenzoyl)oxy)distannoxane; [dibutyl-[dibutyl-(2,5-difluorobenzoyl)oxy-stannyl]oxy-stannyl] 2,5-difluorobenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643855	.	.	.	.	796.1	C30H42F4O5Sn2	61.8	714	.	41	0	9	20	"InChI=1S/2C7H4F2O2.4C4H9.O.2Sn/c2*8-4-1-2-6(9)5(3-4)7(10)11;4*1-3-4-2;;;/h2*1-3H,(H,10,11);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2"	CCCC[Sn](CCCC)(OC(=O)C1=C(C=CC(=C1)F)F)O[Sn](CCCC)(CCCC)OC(=O)C2=C(C=CC(=C2)F)F	ARWUQPBNVOMPFK-UHFFFAOYSA-L
DG65222	[[Diethyl-(2-methoxybenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 2-methoxybenzoate	16683200	"NSC643856; NSC-643856; NCI60_014890; 1,1,3,3-Tetraethyl-1,3-bis((2-methoxybenzoyl)oxy)distannoxane; [[diethyl-(2-methoxybenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 2-methoxybenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643856	.	.	.	.	671.9	C24H34O7Sn2	80.3	570	.	33	0	7	14	"InChI=1S/2C8H8O3.4C2H5.O.2Sn/c2*1-11-7-5-3-2-4-6(7)8(9)10;4*1-2;;;/h2*2-5H,1H3,(H,9,10);4*1H2,2H3;;;/q;;;;;;;2*+1/p-2"	CC[Sn](CC)(OC(=O)C1=CC=CC=C1OC)O[Sn](CC)(CC)OC(=O)C2=CC=CC=C2OC	KNAIYLKQKWHPHW-UHFFFAOYSA-L
DG65223	[[Diethyl-(3-methoxybenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 3-methoxybenzoate	16683201	"NSC643857; ZINC195998607; NSC-643857; NCI60_014891; 1,1,3,3-Tetraethyl-1,3-bis((3-methoxybenzoyl)oxy)distannoxane; [[diethyl-(3-methoxybenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 3-methoxybenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643857	.	.	.	.	671.9	C24H34O7Sn2	80.3	570	.	33	0	7	14	"InChI=1S/2C8H8O3.4C2H5.O.2Sn/c2*1-11-7-4-2-3-6(5-7)8(9)10;4*1-2;;;/h2*2-5H,1H3,(H,9,10);4*1H2,2H3;;;/q;;;;;;;2*+1/p-2"	CC[Sn](CC)(OC(=O)C1=CC(=CC=C1)OC)O[Sn](CC)(CC)OC(=O)C2=CC(=CC=C2)OC	LGXJZWWKGOURHP-UHFFFAOYSA-L
DG65224	[Dibutyl-[2-(4-fluorophenyl)acetyl]oxy-stannyl] 2-(4-fluorophenyl)acetate	16683202	NSC643858; NSC-643858; NCI60_014892; Dibutyl(bis(((4-fluorophenyl)acetyl)oxy))stannane; [dibutyl-[2-(4-fluorophenyl)acetyl]oxy-stannyl] 2-(4-fluorophenyl)acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643858	.	.	.	.	539.2	C24H30F2O4Sn	52.6	496	.	31	0	6	14	"InChI=1S/2C8H7FO2.2C4H9.Sn/c2*9-7-3-1-6(2-4-7)5-8(10)11;2*1-3-4-2;/h2*1-4H,5H2,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2"	CCCC[Sn](CCCC)(OC(=O)CC1=CC=C(C=C1)F)OC(=O)CC2=CC=C(C=C2)F	RPNGBVBSFYVLTC-UHFFFAOYSA-L
DG65225	"1,3-Bis(((4-fluorophenyl)acetyl)oxy)-1,1,3,3-tetrapropyldistannoxane"	16683203	"NSC643859; Neuro_000327; NSC-643859; NCI60_014893; 1,3-Bis(((4-fluorophenyl)acetyl)oxy)-1,1,3,3-tetrapropyldistannoxane; [[[2-(4-fluorophenyl)acetyl]oxy-dipropyl-stannyl]oxy-dipropyl-stannyl] 2-(4-fluorophenyl)acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643859	.	.	.	.	732	C28H40F2O5Sn2	61.8	612	.	37	0	7	18	"InChI=1S/2C8H7FO2.4C3H7.O.2Sn/c2*9-7-3-1-6(2-4-7)5-8(10)11;4*1-3-2;;;/h2*1-4H,5H2,(H,10,11);4*1,3H2,2H3;;;/q;;;;;;;2*+1/p-2"	CCC[Sn](CCC)(OC(=O)CC1=CC=C(C=C1)F)O[Sn](CCC)(CCC)OC(=O)CC2=CC=C(C=C2)F	RFPWTNXAJAFLFR-UHFFFAOYSA-L
DG65226	Dibutyl(bis((3-(2-fluorophenyl)acryloyl)oxy))stannane	16683204	NSC643860; NSC-643860; Dibutyl(bis((3-(2-fluorophenyl)acryloyl)oxy))stannane; [dibutyl-[(E)-3-(2-fluorophenyl)prop-2-enoyl]oxy-stannyl] (E)-3-(2-fluorophenyl)prop-2-enoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643860	.	.	.	.	563.2	C26H30F2O4Sn	52.6	611	.	33	0	6	14	"InChI=1S/2C9H7FO2.2C4H9.Sn/c2*10-8-4-2-1-3-7(8)5-6-9(11)12;2*1-3-4-2;/h2*1-6H,(H,11,12);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*6-5+;;;"	CCCC[Sn](OC(=O)/C=C/C1=CC=CC=C1F)(OC(=O)/C=C/C2=CC=CC=C2F)CCCC	BZBGKPAQSJMVQS-LWJYSMRHSA-L
DG65227	[Dibutyl-(2-methylsulfanylpyridine-3-carbonyl)oxy-stannyl] 2-methylsulfanylpyridine-3-carboxylate	16683205	NSC643861; NSC-643861; NCI60_014895; [dibutyl-(2-methylsulfanylpyridine-3-carbonyl)oxy-stannyl] 2-methylsulfanylpyridine-3-carboxylate; 3-(((Dibutyl(((2-(methylthio)-3-pyridinyl)carbonyl)oxy)stannyl)oxy)carbonyl)-2-(methylthio)pyridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643861	.	.	.	.	569.3	C22H30N2O4S2Sn	129	522	.	31	0	8	14	"InChI=1S/2C7H7NO2S.2C4H9.Sn/c2*1-11-6-5(7(9)10)3-2-4-8-6;2*1-3-4-2;/h2*2-4H,1H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2"	CCCC[Sn](CCCC)(OC(=O)C1=C(N=CC=C1)SC)OC(=O)C2=C(N=CC=C2)SC	BTEGEIUATUJPQX-UHFFFAOYSA-L
DG65228	[[(2-Methylsulfanylpyridine-3-carbonyl)oxy-dipropyl-stannyl]oxy-dipropyl-stannyl] 2-methylsulfanylpyridine-3-carboxylate	16683206	"NSC643862; Neuro_000328; NSC-643862; NCI60_014896; [[(2-methylsulfanylpyridine-3-carbonyl)oxy-dipropyl-stannyl]oxy-dipropyl-stannyl] 2-methylsulfanylpyridine-3-carboxylate; 2-(Methylthio)-3-(((3-(((2-(methylthio)-3-pyridinyl)carbonyl)oxy)-1,1,3,3-tetrapropyldistannoxanyl)oxy)carbonyl)pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643862	.	.	.	.	762.2	C26H40N2O5S2Sn2	138	638	.	37	0	9	18	"InChI=1S/2C7H7NO2S.4C3H7.O.2Sn/c2*1-11-6-5(7(9)10)3-2-4-8-6;4*1-3-2;;;/h2*2-4H,1H3,(H,9,10);4*1,3H2,2H3;;;/q;;;;;;;2*+1/p-2"	CCC[Sn](CCC)(OC(=O)C1=C(N=CC=C1)SC)O[Sn](CCC)(CCC)OC(=O)C2=C(N=CC=C2)SC	RRTNLYJNODYCSX-UHFFFAOYSA-L
DG65229	[(3-Aminopyrazine-2-carbonyl)oxy-dibutyl-stannyl] 3-aminopyrazine-2-carboxylate	16683207	NSC643863; NSC-643863; NCI60_014897; [(3-aminopyrazine-2-carbonyl)oxy-dibutyl-stannyl] 3-aminopyrazine-2-carboxylate; 3-((((((3-Amino-2-pyrazinyl)carbonyl)oxy)(dibutyl)stannyl)oxy)carbonyl)-2-pyrazinamine; 3-((((((3-Amino-2-pyrazinyl)carbonyl)oxy)(dibutyl)stannyl)oxy)carbonyl)-2-pyrazinylamine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643863	.	.	.	.	509.1	C18H26N6O4Sn	156	495	.	29	2	10	12	"InChI=1S/2C5H5N3O2.2C4H9.Sn/c2*6-4-3(5(9)10)7-1-2-8-4;2*1-3-4-2;/h2*1-2H,(H2,6,8)(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2"	CCCC[Sn](CCCC)(OC(=O)C1=NC=CN=C1N)OC(=O)C2=NC=CN=C2N	SQZIOUNIRRFYJM-UHFFFAOYSA-L
DG65230	"(Z)-1,3-diphenyl-3-triphenylplumbyloxy-prop-2-en-1-one"	16683210	"NSC644908; (Z)-1,3-diphenyl-3-triphenylplumbyloxy-prop-2-en-1-one; 2-Propen-1-one, 1,3-diphenyl-3-[(triphenylplumbyl)oxy]-, (2Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644908	.	.	.	.	662	C33H26O2Pb	26.3	654	.	36	0	2	8	"InChI=1S/C15H12O2.3C6H5.Pb/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;3*1-2-4-6-5-3-1;/h1-11,16H;3*1-5H;/q;;;;+1/p-1/b14-11-;;;;"	C1=CC=C(C=C1)/C(=C/C(=O)C2=CC=CC=C2)/O[Pb](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5	FENYMSNLGWHJKX-VDOWVRHSSA-M
DG65231	"(Z)-3-[[(Z)-3-oxo-1,3-diphenyl-prop-1-enoxy]-diphenyl-stannyl]oxy-1,3-diphenyl-prop-2-en-1-one"	16683213	"NSC644911; (Z)-3-[[(Z)-3-oxo-1,3-diphenyl-prop-1-enoxy]-diphenyl-stannyl]oxy-1,3-diphenyl-prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644911	.	.	.	.	719.4	C42H32O4Sn	52.6	959	.	47	0	4	12	"InChI=1S/2C15H12O2.2C6H5.Sn/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-2-4-6-5-3-1;/h2*1-11,16H;2*1-5H;/q;;;;+2/p-2/b2*14-11-;;;"	C1=CC=C(C=C1)/C(=C/C(=O)C2=CC=CC=C2)/O[Sn](O/C(=C\\C(=O)C3=CC=CC=C3)/C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6	TXPMVYFQHSGVMQ-BGFMMZJESA-L
DG65232	"(Z)-3-[diiodo-[(Z)-3-oxo-1,3-diphenyl-prop-1-enoxy]stannyl]oxy-1,3-diphenyl-prop-2-en-1-one"	16683217	"NSC644920; (Z)-3-[diiodo-[(Z)-3-oxo-1,3-diphenyl-prop-1-enoxy]stannyl]oxy-1,3-diphenyl-prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644920	.	.	.	.	819	C30H22I2O4Sn	52.6	749	.	37	0	4	10	"InChI=1S/2C15H12O2.2HI.Sn/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;;/h2*1-11,16H;2*1H;/q;;;;+4/p-4/b2*14-11-;;;"	C1=CC=C(C=C1)/C(=C/C(=O)C2=CC=CC=C2)/O[Sn](I)(I)O/C(=C\\C(=O)C3=CC=CC=C3)/C4=CC=CC=C4	VUCSSVYYGZKKNU-BGFMMZJESA-J
DG65233	"2-Trimethylstannyloxycyclohepta-2,4,6-trien-1-one"	16683219	"NSC644923; 2-trimethylstannyloxycyclohepta-2,4,6-trien-1-one; 2,4,6-Cycloheptatrien-1-one, 2-[(trimethylstannyl)oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644923	.	.	.	.	284.93	C10H14O2Sn	26.3	293	.	13	0	2	2	"InChI=1S/C7H6O2.3CH3.Sn/c8-6-4-2-1-3-5-7(6)9;;;;/h1-5H,(H,8,9);3*1H3;/q;;;;+1/p-1"	C[Sn](C)(C)OC1=CC=CC=CC1=O	XFCQFDFKKVDSDG-UHFFFAOYSA-M
DG65234	"2-[Dibutyl-(7-oxocyclohepta-1,3,5-trien-1-yl)oxy-stannyl]oxycyclohepta-2,4,6-trien-1-one"	16683220	"NSC644924; 2,4,6-Cycloheptatrien-1-one, 2,2'-[(dibutylstannylene)bis(oxy)]bis-; 2-[dibutyl-(7-oxocyclohepta-1,3,5-trien-1-yl)oxy-stannyl]oxycyclohepta-2,4,6-trien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644924	.	.	.	.	475.2	C22H28O4Sn	52.6	661	.	27	0	4	10	"InChI=1S/2C7H6O2.2C4H9.Sn/c2*8-6-4-2-1-3-5-7(6)9;2*1-3-4-2;/h2*1-5H,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2"	CCCC[Sn](CCCC)(OC1=CC=CC=CC1=O)OC2=CC=CC=CC2=O	QJBYAJGWWPRWJG-UHFFFAOYSA-L
DG65235	"2,2'-[(Diphenylstannanediyl)bis(oxy)]di(cyclohepta-2,4,6-trien-1-one)"	16683221	"DTXSID60586799; NSC644925; 2,2'-[(Diphenylstannanediyl)bis(oxy)]di(cyclohepta-2,4,6-trien-1-one); 2-[(7-oxocyclohepta-1,3,5-trien-1-yl)oxy-diphenyl-stannyl]oxycyclohepta-2,4,6-trien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644925	.	.	.	.	515.1	C26H20O4Sn	52.6	790	.	31	0	4	6	"InChI=1S/2C7H6O2.2C6H5.Sn/c2*8-6-4-2-1-3-5-7(6)9;2*1-2-4-6-5-3-1;/h2*1-5H,(H,8,9);2*1-5H;/q;;;;+2/p-2"	C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(OC3=CC=CC=CC3=O)OC4=CC=CC=CC4=O	KZIZOICPXFJBED-UHFFFAOYSA-L
DG65236	"2-Tricyclohexylstannyloxycyclohepta-2,4,6-trien-1-one"	16683222	"NSC644926; 2-tricyclohexylstannyloxycyclohepta-2,4,6-trien-1-one; 2,4,6-Cycloheptatrien-1-one, 2-[(tricyclohexylstannyl)oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644926	.	.	.	.	489.3	C25H38O2Sn	26.3	569	.	28	0	2	5	"InChI=1S/C7H6O2.3C6H11.Sn/c8-6-4-2-1-3-5-7(6)9;3*1-2-4-6-5-3-1;/h1-5H,(H,8,9);3*1H,2-6H2;/q;;;;+1/p-1"	C1CCC(CC1)[Sn](C2CCCCC2)(C3CCCCC3)OC4=CC=CC=CC4=O	OFMSZZZAVCZZSO-UHFFFAOYSA-M
DG65237	(2-Hydroxy-2-phenylacetoxy)trimethyltin	16683226	NSC645568; NSC-645568; NCI60_015554; trimethylstannyl 2-hydroxy-2-phenyl-acetate; (2-HYDROXY-2-PHENYLACETOXY)TRIMETHYLTIN; 2-Oxo-1-phenyl-2-(.lambda.~2~-stannanyloxy)ethanol compound with methane (1:3)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645568	.	.	.	.	314.95	C11H16O3Sn	46.5	216	.	15	1	3	4	"InChI=1S/C8H8O3.3CH3.Sn/c9-7(8(10)11)6-4-2-1-3-5-6;;;;/h1-5,7,9H,(H,10,11);3*1H3;/q;;;;+1/p-1"	C[Sn](C)(C)OC(=O)C(C1=CC=CC=C1)O	LVPYOLPVOJTSIN-UHFFFAOYSA-M
DG65238	Trimethylstannyl 2-acetoxy-2-phenyl-acetate	16683227	NSC645569; NSC-645569; NCI60_015555; trimethylstannyl 2-acetoxy-2-phenyl-acetate; 2-Oxo-1-phenyl-2-(.lambda.~2~-stannanyloxy)ethyl acetate compound with methane (1:3)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645569	.	.	.	.	356.99	C13H18O4Sn	52.6	303	.	18	0	4	6	"InChI=1S/C10H10O4.3CH3.Sn/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8;;;;/h2-6,9H,1H3,(H,12,13);3*1H3;/q;;;;+1/p-1"	CC(=O)OC(C1=CC=CC=C1)C(=O)O[Sn](C)(C)C	ICDJRTYROVFNKZ-UHFFFAOYSA-M
DG65239	Triethylgermyl 2-phenyl-2-triethylgermyloxy-acetate	16683228	"NSC645570; NSC-645570; NCI60_015556; triethylgermyl 2-phenyl-2-triethylgermyloxy-acetate; 3,3,8,8-Tetraethyl-5-oxo-6-phenyl-4,7-dioxa-3,8-digermadecane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645570	.	.	.	.	469.8	C20H36Ge2O3	35.5	370	.	25	0	3	12	"InChI=1S/C20H36Ge2O3/c1-7-21(8-2,9-3)24-19(18-16-14-13-15-17-18)20(23)25-22(10-4,11-5)12-6/h13-17,19H,7-12H2,1-6H3"	CC[Ge](CC)(CC)OC(C1=CC=CC=C1)C(=O)O[Ge](CC)(CC)CC	BNCRCLGGJCZFIN-UHFFFAOYSA-N
DG65240	Tributylgermyl 2-hydroxy-2-phenyl-acetate	16683229	NSC645571; NSC-645571; NCI60_015557; tributylgermyl 2-hydroxy-2-phenyl-acetate; 2-Oxo-1-phenyl-2-((tributylgermyl)oxy)ethanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645571	.	.	.	.	395.1	C20H34GeO3	46.5	318	.	24	1	3	13	"InChI=1S/C20H34GeO3/c1-4-7-15-21(16-8-5-2,17-9-6-3)24-20(23)19(22)18-13-11-10-12-14-18/h10-14,19,22H,4-9,15-17H2,1-3H3"	CCCC[Ge](CCCC)(CCCC)OC(=O)C(C1=CC=CC=C1)O	IHDDJXDQIOXBRJ-UHFFFAOYSA-N
DG65241	Trimethylgermyl 2-acetoxy-2-phenyl-acetate	16683231	NSC645573; NSC-645573; NCI60_015559; trimethylgermyl 2-acetoxy-2-phenyl-acetate; 2-Oxo-1-phenyl-2-((trimethylgermyl)oxy)ethyl acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645573	.	.	.	.	310.91	C13H18GeO4	52.6	303	.	18	0	4	6	"InChI=1S/C13H18GeO4/c1-10(15)17-12(11-8-6-5-7-9-11)13(16)18-14(2,3)4/h5-9,12H,1-4H3"	CC(=O)OC(C1=CC=CC=C1)C(=O)O[Ge](C)(C)C	XGVJPIKLCWNRLA-UHFFFAOYSA-N
DG65242	Tributylgermyl 2-acetoxy-2-phenyl-acetate	16683233	NSC645575; NSC-645575; NCI60_015561; tributylgermyl 2-acetoxy-2-phenyl-acetate; 2-Oxo-1-phenyl-2-((tributylgermyl)oxy)ethyl acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645575	.	.	.	.	437.1	C22H36GeO4	52.6	410	.	27	0	4	15	"InChI=1S/C22H36GeO4/c1-5-8-16-23(17-9-6-2,18-10-7-3)27-22(25)21(26-19(4)24)20-14-12-11-13-15-20/h11-15,21H,5-10,16-18H2,1-4H3"	CCCC[Ge](CCCC)(CCCC)OC(=O)C(C1=CC=CC=C1)OC(=O)C	MOSKYZDHZOETFH-UHFFFAOYSA-N
DG65243	Tributyl((methoxy(phenyl)acetyl)oxy)germane	16683234	NSC645576; NSC-645576; NCI60_015562; tributylgermyl 2-methoxy-2-phenyl-acetate; Tributyl((methoxy(phenyl)acetyl)oxy)germane; Methyl 2-oxo-1-phenyl-2-((tributylgermyl)oxy)ethyl ether	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645576	.	.	.	.	409.1	C21H36GeO3	35.5	331	.	25	0	3	14	"InChI=1S/C21H36GeO3/c1-5-8-16-22(17-9-6-2,18-10-7-3)25-21(23)20(24-4)19-14-12-11-13-15-19/h11-15,20H,5-10,16-18H2,1-4H3"	CCCC[Ge](CCCC)(CCCC)OC(=O)C(C1=CC=CC=C1)OC	LNNLMZYFZFDDOI-UHFFFAOYSA-N
DG65244	Tributyl((methoxy(phenyl)acetyl)oxy)stannane	16683236	NSC645578; NSC-645578; NCI60_015564; tributylstannyl 2-methoxy-2-phenyl-acetate; Tributyl((methoxy(phenyl)acetyl)oxy)stannane; Methyl 2-oxo-1-phenyl-2-((tributylstannyl)oxy)ethyl ether	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645578	.	.	.	.	455.2	C21H36O3Sn	35.5	331	.	25	0	3	14	"InChI=1S/C9H10O3.3C4H9.Sn/c1-12-8(9(10)11)7-5-3-2-4-6-7;3*1-3-4-2;/h2-6,8H,1H3,(H,10,11);3*1,3-4H2,2H3;/q;;;;+1/p-1"	CCCC[Sn](CCCC)(CCCC)OC(=O)C(C1=CC=CC=C1)OC	UJNPNWZXIJKMGJ-UHFFFAOYSA-M
DG65245	3-(Dimethyl(phenylthio)germyl)propanenitrile	16683240	NSC650711; NSC-650711; NCI60_017643; 3-(Dimethyl(phenylthio)germyl)propanenitrile; 3-[dimethyl(phenylsulfanyl)germyl]propanenitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650711	.	.	.	.	265.94	C11H15GeNS	49.1	213	.	14	0	2	4	"InChI=1S/C11H15GeNS/c1-12(2,9-6-10-13)14-11-7-4-3-5-8-11/h3-5,7-8H,6,9H2,1-2H3"	C[Ge](C)(CCC#N)SC1=CC=CC=C1	SUILLRHGWSOZRM-UHFFFAOYSA-N
DG65246	Methyl 3-(dimethyl(phenylthio)germyl)propanoate	16683241	NSC650712; NSC-650712; NCI60_017644; Methyl 3-(dimethyl(phenylthio)germyl)propanoate; methyl 3-[dimethyl(phenylsulfanyl)germyl]propanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650712	.	.	.	.	298.97	C12H18GeO2S	51.6	225	.	16	0	3	6	"InChI=1S/C12H18GeO2S/c1-13(2,10-9-12(14)15-3)16-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3"	COC(=O)CC[Ge](C)(C)SC1=CC=CC=C1	HPVNMJGNMALGNH-UHFFFAOYSA-N
DG65247	Dimethyl 2-(dimethyl(phenylthio)germyl)succinate	16683242	NSC650713; NSC-650713; NCI60_017645; Dimethyl 2-(dimethyl(phenylthio)germyl)succinate; dimethyl 2-[dimethyl(phenylsulfanyl)germyl]butanedioate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650713	.	.	.	.	357	C14H20GeO4S	77.9	340	.	20	0	5	8	"InChI=1S/C14H20GeO4S/c1-15(2,20-11-8-6-5-7-9-11)12(14(17)19-4)10-13(16)18-3/h5-9,12H,10H2,1-4H3"	COC(=O)CC(C(=O)OC)[Ge](C)(C)SC1=CC=CC=C1	BCJPDPCRFUMDOA-UHFFFAOYSA-N
DG65248	[(2-Acetoxy-2-phenyl-acetyl)oxy-diethyl-stannyl] 2-acetoxy-2-phenyl-acetate	16683246	"NSC653551; NSC-653551; NCI60_018680; [(2-acetoxy-2-phenyl-acetyl)oxy-diethyl-stannyl] 2-acetoxy-2-phenyl-acetate; 4,4-Diethyl-2,6,9-trioxo-1,7-diphenyl-3,5,8-trioxa-4-stannadec-1-yl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653551	.	.	.	.	563.2	C24H28O8Sn	105	624	.	33	0	8	14	"InChI=1S/2C10H10O4.2C2H5.Sn/c2*1-7(11)14-9(10(12)13)8-5-3-2-4-6-8;2*1-2;/h2*2-6,9H,1H3,(H,12,13);2*1H2,2H3;/q;;;;+2/p-2"	CC[Sn](CC)(OC(=O)C(C1=CC=CC=C1)OC(=O)C)OC(=O)C(C2=CC=CC=C2)OC(=O)C	IJBYFXLZZMMXGP-UHFFFAOYSA-L
DG65249	Tributylgermyl 2-chloroacetate	16683248	NSC653556; tributylgermyl 2-chloroacetate; Tributyl((chloroacetyl)oxy)germane; NSC-653556; NCI60_018681	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653556	.	.	.	.	337.5	C14H29ClGeO2	26.3	200	.	18	0	2	12	"InChI=1S/C14H29ClGeO2/c1-4-7-10-16(11-8-5-2,12-9-6-3)18-14(17)13-15/h4-13H2,1-3H3"	CCCC[Ge](CCCC)(CCCC)OC(=O)CCl	MPEJSOKWKQVFFM-UHFFFAOYSA-N
DG65250	Tributylgermyl 3-oxo-3-phenyl-propanoate	16683249	NSC653557; NSC-653557; tributylgermyl 3-oxo-3-phenyl-propanoate; NCI60_018682; 3-Oxo-1-phenyl-3-((tributylgermyl)oxy)-1-propanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653557	.	.	.	.	407.1	C21H34GeO3	43.4	367	.	25	0	3	14	"InChI=1S/C21H34GeO3/c1-4-7-15-22(16-8-5-2,17-9-6-3)25-21(24)18-20(23)19-13-11-10-12-14-19/h10-14H,4-9,15-18H2,1-3H3"	CCCC[Ge](CCCC)(CCCC)OC(=O)CC(=O)C1=CC=CC=C1	UHNITIHSSRWMJK-UHFFFAOYSA-N
DG65251	"3,3-Dibutyl-6-nitro-2,4,3-benzodioxastannepine-1,5-dione"	16683294	NSC109072; NSC-109072; 23535-87-7	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109072	.	.	.	.	442.1	C16H21NO6Sn	98.4	483	.	24	0	6	6	"InChI=1S/C8H5NO6.2C4H9.Sn/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13;2*1-3-4-2;/h1-3H,(H,10,11)(H,12,13);2*1,3-4H2,2H3;/q;;;+2/p-2"	CCCC[Sn]1(OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O1)CCCC	HPRWXVGSBBPEPP-UHFFFAOYSA-L
DG65252	"2,2-diethyl-6-(hydroxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxastannolo[4,5-c]pyran-4,7-diol"	16683462	"NSC306911; NSC-306911; .beta.-D-Glucopyranose,3-O-(diethylstannylene)-; .beta.-D-Glucopyranose, 2,3-O-(diethylstannylene)-; 2,2-diethyl-6-(hydroxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxastannolo[4,5-c]pyran-4,7-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	306911	.	.	.	.	354.97	C10H20O6Sn	88.4	272	.	17	3	6	3	"InChI=1S/C6H10O6.2C2H5.Sn/c7-1-2-3(8)4(9)5(10)6(11)12-2;2*1-2;/h2-8,11H,1H2;2*1H2,2H3;/q-2;;;+2"	CC[Sn]1(OC2C(C(OC(C2O1)O)CO)O)CC	PKGOFPIELJQXTG-UHFFFAOYSA-N
DG65253	[Diphenyl(pyridine-2-carbonyloxy)stannyl] pyridine-2-carboxylate	16683508	NSC353500; ZINC196000241; NSC-353500	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353500	.	.	.	.	517.1	C24H18N2O4Sn	78.4	552	.	31	0	6	8	"InChI=1S/2C6H5NO2.2C6H5.Sn/c2*8-6(9)5-3-1-2-4-7-5;2*1-2-4-6-5-3-1;/h2*1-4H,(H,8,9);2*1-5H;/q;;;;+2/p-2"	C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(OC(=O)C3=CC=CC=N3)OC(=O)C4=CC=CC=N4	HQGMJWTVQKNFQG-UHFFFAOYSA-L
DG65254	"Bismuthine, (acetyloxy)diphenyl-"	16683509	"Bismuthine, (acetyloxy)diphenyl-; SCHEMBL11882918; NSC353739; NSC-353739; 4723-24-4; NCI60_003177"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353739	.	.	.	.	422.23	C14H13BiO2	26.3	225	.	17	0	2	4	"InChI=1S/2C6H5.C2H4O2.Bi/c2*1-2-4-6-5-3-1;1-2(3)4;/h2*1-5H;1H3,(H,3,4);/q;;;+1/p-1"	CC(=O)O[Bi](C1=CC=CC=C1)C2=CC=CC=C2	GQDHGSXQYMVUJR-UHFFFAOYSA-M
DG65255	"2,2,4,4-Tetraethyl-1,3,5,2,4-trioxadistanninan-6-one"	16683517	"NSC356200; 2,2,4,4-Tetraethyl-1,3,5,2,4-trioxadistanninan-6-one; 87880-63-5; NSC 356200; DTXSID00236680; ZINC196000272; NSC-356200; NCI60_003220; 1,3,5,2,4-Trioxadistannin-6-one der.; 1,5,2,4-Trioxadistannin-6-one, 2,2,4,4-tetraethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	356200	.	.	.	.	429.67	C9H20O4Sn2	44.8	214	.	15	0	4	4	"InChI=1S/4C2H5.CH2O3.O.2Sn/c4*1-2;2-1(3)4;;;/h4*1H2,2H3;(H2,2,3,4);;;/q;;;;;;2*+1/p-2"	CC[Sn]1(OC(=O)O[Sn](O1)(CC)CC)CC	NXQGPCOTDYVKOH-UHFFFAOYSA-L
DG65256	"12,12-Dibutyl-11,13-dioxa-16-aza-12-stannatricyclo[8.7.0.02,7]heptadeca-1(10),2,4,6,8,16-hexaen-14-one"	16683553	NSC630250; NSC-630250; NCI60_009799	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630250	.	.	.	.	460.2	C21H27NO3Sn	47.9	488	.	26	0	4	6	"InChI=1S/C13H11NO3.2C4H9.Sn/c15-12-6-5-9-3-1-2-4-10(9)11(12)7-14-8-13(16)17;2*1-3-4-2;/h1-7,15H,8H2,(H,16,17);2*1,3-4H2,2H3;/q;;;+2/p-2"	CCCC[Sn]1(OC(=O)CN=CC2=C(O1)C=CC3=CC=CC=C32)CCCC	GEIKTAYVJULEOV-UHFFFAOYSA-L
DG65257	"2,2-dibutyl-5-propan-2-yl-5H-1,3,6,2-benzodioxazastannonin-4-one"	16683554	NSC630251; NSC-630251; NCI60_009800	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630251	.	.	.	.	452.2	C20H31NO3Sn	47.9	444	.	25	0	4	7	"InChI=1S/C12H15NO3.2C4H9.Sn/c1-8(2)11(12(15)16)13-7-9-5-3-4-6-10(9)14;2*1-3-4-2;/h3-8,11,14H,1-2H3,(H,15,16);2*1,3-4H2,2H3;/q;;;+2/p-2"	CCCC[Sn]1(OC2=CC=CC=C2C=NC(C(=O)O1)C(C)C)CCCC	ZGTVWQPMRYBRFR-UHFFFAOYSA-L
DG65258	"2,2-dibutyl-5H-1,3,6,2-benzodioxazastannonin-4-one"	16683555	NSC630252; ZINC263605580; NSC-630252; NCI60_009801	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630252	.	.	.	.	410.1	C17H25NO3Sn	47.9	378	.	22	0	4	6	"InChI=1S/C9H9NO3.2C4H9.Sn/c11-8-4-2-1-3-7(8)5-10-6-9(12)13;2*1-3-4-2;/h1-5,11H,6H2,(H,12,13);2*1,3-4H2,2H3;/q;;;+2/p-2"	CCCC[Sn]1(OC(=O)CN=CC2=CC=CC=C2O1)CCCC	PXOOSSYRHFOALV-UHFFFAOYSA-L
DG65259	"2,2-dibutyl-7-methyl-5H-1,3,6,2-benzodioxazastannonin-4-one"	16683556	NSC630253; ZINC263592414; NSC-630253; NCI60_009802	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630253	.	.	.	.	424.1	C18H27NO3Sn	47.9	417	.	23	0	4	6	"InChI=1S/C10H11NO3.2C4H9.Sn/c1-7(11-6-10(13)14)8-4-2-3-5-9(8)12;2*1-3-4-2;/h2-5,12H,6H2,1H3,(H,13,14);2*1,3-4H2,2H3;/q;;;+2/p-2"	CCCC[Sn]1(OC(=O)CN=C(C2=CC=CC=C2O1)C)CCCC	ACBFDHMLROJCJI-UHFFFAOYSA-L
DG65260	"2,2-Dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine"	16683569	"NSC633500; NSC-633500; NCI60_011139; 2,2-Dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633500	.	.	.	.	458.2	C22H29NO2Sn	30.8	433	.	26	0	3	8	"InChI=1S/C14H12NO2.2C4H9.Sn/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11;2*1-3-4-2;/h1-10,14,17H;2*1,3-4H2,2H3;/q-1;;;+2/p-1"	CCCC[Sn]1(OC(C(=NO1)C2=CC=CC=C2)C3=CC=CC=C3)CCCC	YWAUFBMPZSGXNF-UHFFFAOYSA-M
DG65261	"2,2-Dibutyl-4-methyl-1,3,2-dioxastannolane"	16683570	NSC633508; SCHEMBL7162229; NSC-633508; NCI60_011147	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633508	.	.	.	.	307.02	C11H24O2Sn	18.5	153	.	14	0	2	6	"InChI=1S/2C4H9.C3H6O2.Sn/c2*1-3-4-2;1-3(5)2-4;/h2*1,3-4H2,2H3;3H,2H2,1H3;/q;;-2;+2"	CCCC[Sn]1(OCC(O1)C)CCCC	PSGQJORUIXABPI-UHFFFAOYSA-N
DG65262	"[4-(6-Amino-1,4,5,6-tetrahydropurin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol"	16683571	NSC634373; NSC-634373; NCI60_011410	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634373	.	.	.	.	387.97	C10H15N5O4Sn	114	451	.	20	3	7	2	"InChI=1S/C10H15N5O4.Sn/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;/h2-10,16H,1,11H2,(H,12,13);/q-2;+2"	C1=NC2C(C(N1)N)N=CN2C3C4C(C(O3)CO)O[Sn]O4	RBSLPHLABCKFJJ-UHFFFAOYSA-N
DG65263	"Dibutyl(bis((2,4,5-trimethoxybenzoyl)oxy))stannane"	16683573	"NSC643837; NSC-643837; NCI60_014871; Dibutyl(bis((2,4,5-trimethoxybenzoyl)oxy))stannane; [dibutyl-(2,4,5-trimethoxybenzoyl)oxy-stannyl] 2,4,5-trimethoxybenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643837	.	.	.	.	655.3	C28H40O10Sn	108	677	.	39	0	10	18	"InChI=1S/2C10H12O5.2C4H9.Sn/c2*1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12;2*1-3-4-2;/h2*4-5H,1-3H3,(H,11,12);2*1,3-4H2,2H3;/q;;;;+2/p-2"	CCCC[Sn](CCCC)(OC(=O)C1=CC(=C(C=C1OC)OC)OC)OC(=O)C2=CC(=C(C=C2OC)OC)OC	DJOGSWMGNUFBTG-UHFFFAOYSA-L
DG65264	[Diethyl-(2-fluorobenzoyl)oxy-stannyl] 2-fluorobenzoate	16683574	NSC643838; NSC-643838; NCI60_014872; Diethyl(bis((2-fluorobenzoyl)oxy))stannane; [diethyl-(2-fluorobenzoyl)oxy-stannyl] 2-fluorobenzoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643838	.	.	.	.	455	C18H18F2O4Sn	52.6	432	.	25	0	6	8	"InChI=1S/2C7H5FO2.2C2H5.Sn/c2*8-6-4-2-1-3-5(6)7(9)10;2*1-2;/h2*1-4H,(H,9,10);2*1H2,2H3;/q;;;;+2/p-2"	CC[Sn](CC)(OC(=O)C1=CC=CC=C1F)OC(=O)C2=CC=CC=C2F	RXLHRTUOGPUNHT-UHFFFAOYSA-L
DG65265	[Diethyl-(4-fluorobenzoyl)oxy-stannyl] 4-fluorobenzoate	16683575	NSC643840; diethyltin monofluorobenzoate; NSC-643840; NCI60_014874; Diethyl(bis((4-fluorobenzoyl)oxy))stannane; [diethyl-(4-fluorobenzoyl)oxy-stannyl] 4-fluorobenzoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643840	.	.	.	.	455	C18H18F2O4Sn	52.6	416	.	25	0	6	8	"InChI=1S/2C7H5FO2.2C2H5.Sn/c2*8-6-3-1-5(2-4-6)7(9)10;2*1-2;/h2*1-4H,(H,9,10);2*1H2,2H3;/q;;;;+2/p-2"	CC[Sn](CC)(OC(=O)C1=CC=C(C=C1)F)OC(=O)C2=CC=C(C=C2)F	GKNVYQKQEPQPNB-UHFFFAOYSA-L
DG65266	"[Dibutyl-(2,3-difluorobenzoyl)oxy-stannyl] 2,3-difluorobenzoate"	16683576	"NSC643842; di-n-butyltin-difluorobenzoate; NSC-643842; NCI60_014876; Dibutyl(bis((2,3-difluorobenzoyl)oxy))stannane; [dibutyl-(2,3-difluorobenzoyl)oxy-stannyl] 2,3-difluorobenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643842	.	.	.	.	547.1	C22H24F4O4Sn	52.6	544	.	31	0	8	12	"InChI=1S/2C7H4F2O2.2C4H9.Sn/c2*8-5-3-1-2-4(6(5)9)7(10)11;2*1-3-4-2;/h2*1-3H,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2"	CCCC[Sn](CCCC)(OC(=O)C1=C(C(=CC=C1)F)F)OC(=O)C2=C(C(=CC=C2)F)F	NJRFRYBNPJGKEI-UHFFFAOYSA-L
DG65267	"[Dibutyl-(3,5-difluorobenzoyl)oxy-stannyl] 3,5-difluorobenzoate"	16683577	"NSC643843; NSC-643843; NCI60_014877; Dibutyl(bis((3,5-difluorobenzoyl)oxy))stannane; [dibutyl-(3,5-difluorobenzoyl)oxy-stannyl] 3,5-difluorobenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643843	.	.	.	.	547.1	C22H24F4O4Sn	52.6	524	.	31	0	8	12	"InChI=1S/2C7H4F2O2.2C4H9.Sn/c2*8-5-1-4(7(10)11)2-6(9)3-5;2*1-3-4-2;/h2*1-3H,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2"	CCCC[Sn](CCCC)(OC(=O)C1=CC(=CC(=C1)F)F)OC(=O)C2=CC(=CC(=C2)F)F	VNMHVCHGHXASMI-UHFFFAOYSA-L
DG65268	"[Dibutyl-(2,5-difluorobenzoyl)oxy-stannyl] 2,5-difluorobenzoate"	16683578	"NSC643844; NSC-643844; NCI60_014878; Dibutyl(bis((2,5-difluorobenzoyl)oxy))stannane; [dibutyl-(2,5-difluorobenzoyl)oxy-stannyl] 2,5-difluorobenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643844	.	.	.	.	547.1	C22H24F4O4Sn	52.6	544	.	31	0	8	12	"InChI=1S/2C7H4F2O2.2C4H9.Sn/c2*8-4-1-2-6(9)5(3-4)7(10)11;2*1-3-4-2;/h2*1-3H,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2"	CCCC[Sn](CCCC)(OC(=O)C1=C(C=CC(=C1)F)F)OC(=O)C2=C(C=CC(=C2)F)F	UFWXWAVZQPTJFY-UHFFFAOYSA-L
DG65269	Bis(triethylgermyl) butanedioate	16683583	NSC653558; NCIMech_000758; CCG-36124; NSC-653558; NCI60_018683	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653558	.	.	.	.	435.7	C16H34Ge2O4	52.6	300	.	22	0	4	13	"InChI=1S/C16H34Ge2O4/c1-7-17(8-2,9-3)21-15(19)13-14-16(20)22-18(10-4,11-5)12-6/h7-14H2,1-6H3"	CC[Ge](CC)(CC)OC(=O)CCC(=O)O[Ge](CC)(CC)CC	WVWLQDVQVQCPPF-UHFFFAOYSA-N
DG65270	"Benzoyloxy-[[3-(benzoyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury"	16683643	NSC29443; NSC-29443	.	.	Investigative Drug(s)	Investigative	Small molecular drug	29443	.	.	.	.	757.6	C20H20Hg2O6	71.1	447	.	28	0	6	8	"InChI=1S/2C7H6O2.C6H10O2.2Hg/c2*8-7(9)6-4-2-1-3-5-6;1-5-6(2)8-4-3-7-5;;/h2*1-5H,(H,8,9);5-6H,1-4H2;;/q;;;2*+1/p-2"	C1COC(C(O1)C[Hg]OC(=O)C2=CC=CC=C2)C[Hg]OC(=O)C3=CC=CC=C3	JELHOUIGSAGPOA-UHFFFAOYSA-L
DG65271	"Benzoyloxy-[[6-(benzoyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury"	16683646	NSC30915; NSC-30915	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30915	.	.	.	.	757.6	C20H20Hg2O6	71.1	449	.	28	0	6	8	"InChI=1S/2C7H6O2.C6H10O2.2Hg/c2*8-7(9)6-4-2-1-3-5-6;1-5-3-7-4-6(2)8-5;;/h2*1-5H,(H,8,9);5-6H,1-4H2;;/q;;;2*+1/p-2"	C1C(OC(CO1)C[Hg]OC(=O)C2=CC=CC=C2)C[Hg]OC(=O)C3=CC=CC=C3	DIZHAVSYIMNDTL-UHFFFAOYSA-L
DG65272	"P-Dioxane,5-bis[(benzoyloxymercuri)methyl]-"	16683647	"NSC30916; MP 317; NSC-30916; SKI 23340; NCI60_002652; P-Dioxane,5-bis[(benzoyloxymercuri)methyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30916	.	.	.	.	757.6	C20H20Hg2O6	71.1	447	.	28	0	6	8	"InChI=1S/2C7H6O2.C6H10O2.2Hg/c2*8-7(9)6-4-2-1-3-5-6;1-5-3-8-6(2)4-7-5;;/h2*1-5H,(H,8,9);5-6H,1-4H2;;/q;;;2*+1/p-2"	C1C(OCC(O1)C[Hg]OC(=O)C2=CC=CC=C2)C[Hg]OC(=O)C3=CC=CC=C3	WDBSOHIEPCJJME-UHFFFAOYSA-L
DG65273	"Mercury, [mu-[orthoborato(2-)-O:O']]diphenyldi-"	16683655	"6273-99-0; [hydroxy(phenylmercuriooxy)boranyl]oxy-phenylmercury; Mercury, [mu-[orthoborato(2-)-O:O']]diphenyldi-; Mercury, (mu-(orthoborato(2-)-O:O'))diphenyldi-; Exomycol; Mercuryl; Mersolite 90; EINECS 228-465-7; Mercury, [.mu.-[orthoborato(2-)-O:O']]diphenyldi-; AI3-60045; (mu-(Orthoborato(2-)-O:O'))diphenyldimercury; Mercury, [.mu.-(hydrogen orthoborato)]diphenyldi-; SCHEMBL5934081; DTXSID80897334; NSC35683; NSC 35683; NSC-35683; Mercury, (u-(orthoborato(2-)-O:O'))diphenyldi-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35683	.	.	.	.	615.21	C12H11BHg2O3	38.7	199	.	18	1	3	6	InChI=1S/2C6H5.BHO3.2Hg/c2*1-2-4-6-5-3-1;2-1(3)4;;/h2*1-5H;2H;;/q;;-2;2*+1	B(O)(O[Hg]C1=CC=CC=C1)O[Hg]C2=CC=CC=C2	HCIUVGKUNYOVBM-UHFFFAOYSA-N
DG65274	"Mercury,5-diyldimethylene)bis[(octanoyloxy)-"	16683657	"NSC38186; NSC-38186; NCI60_003623; Mercury,5-diyldimethylene)bis[(octanoyloxy)-; Mercury,4-dioxane-2,5-diylbis(methylene)]]bis(octanoato-O)di-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38186	.	.	.	.	801.7	C22H40Hg2O6	71.1	409	.	30	0	6	18	"InChI=1S/2C8H16O2.C6H10O2.2Hg/c2*1-2-3-4-5-6-7-8(9)10;1-5-3-8-6(2)4-7-5;;/h2*2-7H2,1H3,(H,9,10);5-6H,1-4H2;;/q;;;2*+1/p-2"	CCCCCCCC(=O)O[Hg]CC1COC(CO1)C[Hg]OC(=O)CCCCCCC	XCIGTABUQFDIRT-UHFFFAOYSA-L
DG65275	2-[2-(Carboxylatomethyl-(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetate; mercury(+2) cation	16683706	NSC97345; NSC-97345; NCI97345; CCG-37285; NCGC00014012; NCGC00014012-02; NCGC00097121-01; 2-[2-(carboxylatomethyl-(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetate; mercury(+2) cation	.	.	Investigative Drug(s)	Investigative	Small molecular drug	97345	.	.	.	.	490.82	C10H14HgN2O8	134	391	.	21	2	10	4	"InChI=1S/C10H16N2O8.Hg/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+2/p-2"	C1CN(CC(=O)O[Hg]OC(=O)CN1CC(=O)O)CC(=O)O	HLPPLCMMZDXCQN-UHFFFAOYSA-L
DG65276	"Acetyloxy-[[5-(acetyloxymercuriomethyl)-2,5-dimethyl-1,4-dioxan-2-yl]methyl]mercury"	16683716	NSC114512; NSC-114512	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114512	.	.	.	.	661.47	C12H20Hg2O6	71.1	330	.	20	0	6	6	"InChI=1S/C8H14O2.2C2H4O2.2Hg/c1-7(2)5-10-8(3,4)6-9-7;2*1-2(3)4;;/h1,3,5-6H2,2,4H3;2*1H3,(H,3,4);;/q;;;2*+1/p-2"	CC(=O)O[Hg]CC1(COC(CO1)(C)C[Hg]OC(=O)C)C	DLRFJLVNKAUTJK-UHFFFAOYSA-L
DG65277	"2,3,4,5-Tetraacetoxymercurithiophene"	16683745	"40600-57-5; DTXSID50586783; PUBCHEM_16683745; NSC145801; 2,3,4,5-tetraacetoxymercurithiophene; AKOS015964924; Mercury,3,4,5-thiophenetetrayl)tetra-; NSC-145801"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	145801	.	.	.	.	1118.7	C12H12Hg4O8S	133	475	.	25	0	9	12	"InChI=1S/C4S.4C2H4O2.4Hg/c1-2-4-5-3-1;4*1-2(3)4;;;;/h;4*1H3,(H,3,4);;;;/q;;;;;4*+1/p-4"	CC(=O)O[Hg]C1=C(SC(=C1[Hg]OC(=O)C)[Hg]OC(=O)C)[Hg]OC(=O)C	HJQNAYSBLJGRJT-UHFFFAOYSA-J
DG65278	Diphenyllead diacetate	16683784	"Diphenyllead diacetate; DIPHENYL LEAD DIACETATE; 6928-68-3; Plumbane, bis(acetyloxy)diphenyl-; [acetyloxy(diphenyl)plumbyl] acetate; NSC173046; Diphenyllead acetate; Diacetoxydiphenyllead; Diphenyldiacetoxylead; Lead, diphenyl-, diacetate; Plumbane, diacetoxydiphenyl-; Bis(acetyloxy)diphenylplumbane; Diacetate de diphenylplomb [French]; EINECS 230-052-1; Diphenyl lead acetate; NSC 173046; NSC 179769; BRN 3977461; AI3-50636; Diacetate de diphenylplomb; NCIMech_000466; diphenylplumbanediyl diacetate; CCG-35931; NSC179769; NSC-173046; NSC-179769; Plumbane, bis(acetyloxy)diphenyl- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	173046	.	.	.	.	479	C16H16O4Pb	52.6	335	.	21	0	4	6	"InChI=1S/2C6H5.2C2H4O2.Pb/c2*1-2-4-6-5-3-1;2*1-2(3)4;/h2*1-5H;2*1H3,(H,3,4);/q;;;;+2/p-2"	CC(=O)O[Pb](C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C	SBXMABAVUXVYFZ-UHFFFAOYSA-L
DG65279	"Mercury, (acetyloxy)(pentamethylphenyl)-"	16683786	"NSC174176; 56457-41-1; DTXSID60586794; CCG-35902; NSC-174176; Mercury, (acetyloxy)(pentamethylphenyl)-; NCI60_001419; (Acetato-kappaO)(pentamethylphenyl)mercury"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174176	.	.	.	.	406.87	C13H18HgO2	26.3	238	.	16	0	2	3	"InChI=1S/C11H15.C2H4O2.Hg/c1-7-6-8(2)10(4)11(5)9(7)3;1-2(3)4;/h1-5H3;1H3,(H,3,4);/q;;+1/p-1"	CC1=C(C(=C(C(=C1C)C)[Hg]OC(=O)C)C)C	FOIVYARZYWJXBS-UHFFFAOYSA-M
DG65280	"(Acetato-kappaO)(2-amino-6-fluoro-3,5-dimethylphenyl)mercury"	16683793	"484-63-9; DTXSID20586795; NSC196550; NSC-196550; (Acetato-kappaO)(2-amino-6-fluoro-3,5-dimethylphenyl)mercury"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	196550	.	.	.	.	397.8	C10H12FHgNO2	52.3	240	.	15	1	4	3	"InChI=1S/C8H9FN.C2H4O2.Hg/c1-5-3-6(2)8(10)4-7(5)9;1-2(3)4;/h3H,10H2,1-2H3;1H3,(H,3,4);/q;;+1/p-1"	CC1=CC(=C(C(=C1N)[Hg]OC(=O)C)F)C	RYEJUAGYUFFAFL-UHFFFAOYSA-M
DG65281	"Acetoxy-[4-(acetoxymercurio)-2-chloro-3,6-dimethoxy-5-(3-oxobutanoylamino)phenyl]mercury"	16683866	"NSC635973; NSC-635973; NCI60_011995; acetoxy-[4-(acetoxymercurio)-2-chloro-3,6-dimethoxy-5-(3-oxobutanoylamino)phenyl]mercury"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635973	.	.	.	.	789	C16H18ClHg2NO8	117	593	.	28	1	8	11	"InChI=1S/C12H12ClNO4.2C2H4O2.2Hg/c1-7(15)4-12(16)14-9-6-10(17-2)8(13)5-11(9)18-3;2*1-2(3)4;;/h4H2,1-3H3,(H,14,16);2*1H3,(H,3,4);;/q;;;2*+1/p-2"	CC(=O)CC(=O)NC1=C(C(=C(C(=C1[Hg]OC(=O)C)OC)Cl)[Hg]OC(=O)C)OC	QGQVJDUSZGXLSL-UHFFFAOYSA-L
DG65282	"Acetoxy-[4-(acetoxymercurio)-2,5-dimethoxy-3-(3-oxobutanoylamino)phenyl]mercury"	16683868	"NSC635979; NSC-635979; NCI60_012001; acetoxy-[4-(acetoxymercurio)-2,5-dimethoxy-3-(3-oxobutanoylamino)phenyl]mercury"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635979	.	.	.	.	754.5	C16H19Hg2NO8	117	559	.	27	1	8	11	"InChI=1S/C12H13NO4.2C2H4O2.2Hg/c1-8(14)6-12(15)13-10-7-9(16-2)4-5-11(10)17-3;2*1-2(3)4;;/h4H,6H2,1-3H3,(H,13,15);2*1H3,(H,3,4);;/q;;;2*+1/p-2"	CC(=O)CC(=O)NC1=C(C(=CC(=C1OC)[Hg]OC(=O)C)OC)[Hg]OC(=O)C	IMZOVOAJFUBGPR-UHFFFAOYSA-L
DG65283	"[2-(Acetonylamino)-4-(acetoxymercurio)-6-chloro-3,5-dimethoxy-phenyl]-acetoxy-mercury"	16683869	"NSC637198; NSC-637198; NCI60_012329; [2-(acetonylamino)-4-(acetoxymercurio)-6-chloro-3,5-dimethoxy-phenyl]-acetoxy-mercury"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637198	.	.	.	.	760.9	C15H18ClHg2NO7	100	510	.	26	1	8	11	"InChI=1S/C11H12ClNO3.2C2H4O2.2Hg/c1-7(14)6-13-9-4-8(12)10(15-2)5-11(9)16-3;2*1-2(3)4;;/h13H,6H2,1-3H3;2*1H3,(H,3,4);;/q;;;2*+1/p-2"	CC(=O)CNC1=C(C(=C(C(=C1[Hg]OC(=O)C)Cl)OC)[Hg]OC(=O)C)OC	KJOAWFXSHYXYIH-UHFFFAOYSA-L
DG65284	(4-methoxyphenyl)-(6-thioxo-3H-purin-7-yl)mercury	16684392	"NSC631943; (4-methoxyphenyl)-(6-thioxo-3H-purin-7-yl)mercury; Methoxybenzene compound with 6H-1lambda~4~-[1,3,2]thiazamercurolo[3,4,5-gh]purine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631943	.	.	.	.	459.9	C12H11HgN4OS+	85.4	373	.	19	2	2	3	"InChI=1S/C7H7O.C5H4N4S.Hg/c1-8-7-5-3-2-4-6-7;10-5-3-4(7-1-6-3)8-2-9-5;/h3-6H,1H3;1-2H,(H2,6,7,8,9,10);/q;;+1"	COC1=CC=C(C=C1)[Hg][N+]2=CNC3=C2C(=S)N=CN3	UKWCPRTYIRIOHI-UHFFFAOYSA-N
DG65285	"2-Diphenylthallanyloxycyclohepta-2,4,6-trien-1-one"	16684399	"NSC644915; 2-diphenylthallanyloxycyclohepta-2,4,6-trien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644915	.	.	.	.	479.7	C19H15O2Tl	26.3	448	.	22	0	2	4	"InChI=1S/C7H6O2.2C6H5.Tl/c8-6-4-2-1-3-5-7(6)9;2*1-2-4-6-5-3-1;/h1-5H,(H,8,9);2*1-5H;/q;;;+1/p-1"	C1=CC=C(C=C1)[Tl](C2=CC=CC=C2)OC3=CC=CC=CC3=O	CNWJXLLLGKUXAB-UHFFFAOYSA-M
DG65286	"(Z)-3-diphenylthallanyloxy-1,3-diphenyl-prop-2-en-1-one"	16684400	"NSC644916; (Z)-3-diphenylthallanyloxy-1,3-diphenyl-prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644916	.	.	.	.	581.8	C27H21O2Tl	26.3	529	.	30	0	2	7	"InChI=1S/C15H12O2.2C6H5.Tl/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-2-4-6-5-3-1;/h1-11,16H;2*1-5H;/q;;;+1/p-1/b14-11-;;;"	C1=CC=C(C=C1)/C(=C/C(=O)C2=CC=CC=C2)/O[Tl](C3=CC=CC=C3)C4=CC=CC=C4	BXPXWXKKDQQWGR-MKQFFWQFSA-M
DG65287	"1-(2-phenyl-1,3,2,4-dioxaboralumetan-4-yl)-1-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea"	16684415	"NSC671954; 1-(2-phenyl-1,3,2,4-dioxaboralumetan-4-yl)-1-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671954	.	.	.	.	340.1	C14H14AlBN4O2S	105	458	.	23	1	5	4	"InChI=1S/C8H10N4S.C6H5BO2.Al/c1-6(11-12-8(9)13)7-4-2-3-5-10-7;8-7(9)6-4-2-1-3-5-6;/h2-5H,1H3,(H3,9,10,12,13);1-5H;/q;-2;+3/p-1"	B1(O[Al](O1)N(C(=S)N)/N=C(/C)\\C2=CC=CC=N2)C3=CC=CC=C3	MRHMKYJTWNTOEY-UHFFFAOYSA-M
DG65288	2-[[(2-Aminobenzoyl)oxy-dibutyl-stannyl]amino]benzoic acid	16684416	"NSC628572; bis(O-aminobenzoato-O,O')di-n-butyltin(IV); 2-[[(2-aminobenzoyl)oxy-dibutyl-stannyl]amino]benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628572	.	.	.	.	505.2	C22H30N2O4Sn	102	523	.	29	3	6	12	"InChI=1S/C7H7NO2.C7H6NO2.2C4H9.Sn/c2*8-6-4-2-1-3-5(6)7(9)10;2*1-3-4-2;/h1-4H,8H2,(H,9,10);1-4,8H,(H,9,10);2*1,3-4H2,2H3;/q;-1;;;+2/p-1"	CCCC[Sn](CCCC)(NC1=CC=CC=C1C(=O)O)OC(=O)C2=CC=CC=C2N	TXGDXSALYZXALJ-UHFFFAOYSA-M
DG65289	"5-Nitro-1,3,2lambda2-benzodioxastannole"	16684872	NSC634375; ZINC196005972; NSC-634375; NCI60_011412	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634375	.	.	.	.	271.8	C6H3NO4Sn	64.3	195	.	12	0	4	0	"InChI=1S/C6H5NO4.Sn/c8-5-2-1-4(7(10)11)3-6(5)9;/h1-3,8-9H;/q;+2/p-2"	C1=CC2=C(C=C1[N+](=O)[O-])O[Sn]O2	KMUJSTVXKHPLSD-UHFFFAOYSA-L
DG65290	Tin monocatecholate	16685274	tin monocatecholate; NSC634374; NSC-634374; NCI60_011411	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634374	.	.	.	.	226.8	C6H4O2Sn	18.5	95.2	.	9	0	2	0	"InChI=1S/C6H6O2.Sn/c7-5-3-1-2-4-6(5)8;/h1-4,7-8H;/q;+2/p-2"	C1=CC=C2C(=C1)O[Sn]O2	RQDBBXNPOUXZQZ-UHFFFAOYSA-L
DG65291	Acetyloxymercury;phenanthrene	16685698	NSC534	.	.	Investigative Drug(s)	Investigative	Small molecular drug	534	.	.	.	.	437.86	C16H13HgO2	26.3	217	.	19	0	2	0	"InChI=1S/C14H10.C2H4O2.Hg/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2(3)4;/h1-10H;1H3,(H,3,4);/q;;+1/p-1"	CC(=O)O[Hg].C1=CC=C2C(=C1)C=CC3=CC=CC=C32	IUCKCXIBYJJXJX-UHFFFAOYSA-M
DG65292	"Stannane,4,5-trichlorophenoxy)-"	16686044	"Stannane,4,5-trichlorophenoxy)-; Tributyl(2,5-trichlorophenoxy)tin; NSC-164914; NCI60_001261"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	164914	.	.	.	.	486.5	C18H29Cl3OSn-	9.2	295	.	23	0	2	11	"InChI=1S/C6H3Cl3O.3C4H9.Sn/c7-3-1-5(9)6(10)2-4(3)8;3*1-3-4-2;/h1-2,10H;3*1,3-4H2,2H3;/p-1"	CCCC[Sn-](CCCC)(CCCC)OC1=CC(=C(C=C1Cl)Cl)Cl	VSMHISQJZOTNJC-UHFFFAOYSA-M
DG65293	Milciclib	16718576	"Milciclib; PHA-848125; 802539-81-7; PHA 848125; Milciclib (PHA-848125); UNII-688000M8S8; PHA848125; 4,5-dihydro-N,1,4,4-tetramethyl-8-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-1H-Pyrazolo[4,3-h]quinazoline-3-carboxamide; MMV676602; 688000M8S8; N,1,4,4-tetramethyl-8-[4-(4-methylpiperazin-1-yl)anilino]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide; Milciclib [INN]; n,1,4,4-tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1h-pyrazolo(4,3-h)quinazoline-3-carboxamide; N,1,4,4-tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide; N,1,4,4-tetramethyl-8-(4-(4-methylpiperazin-1-yl)phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide; N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)phenyl]amino}-4,5-Dihydro-1h-Pyrazolo[4,3-H]quinazoline-3-Carboxamide; 4,5-Dihydro-n,1,4,4-Tetramethyl-8-((4-(4-Methyl-1-piperazinyl)phenyl)amino)-1h-pyrazolo(4,3-h)quinazoline-3-carboxamide; Milciclib; PHA 848125; MLS006011032; SCHEMBL619139; CHEMBL564829; GTPL7938; PHA-848125 - Milciclib; BDBM31545; C25H32N8O; DTXSID80230186; BCPP000109; HMS3656P21; AOB87199; BCP01918; EX-A2135; NSC800792; s2751; ZINC53119602; AKOS030231455; CCG-269340; CS-0579; NSC-800792; QC-2640; SB16657; NCGC00346673-01; NCGC00346673-05; 1H-Pyrazolo(4,3-h)quinazoline-3-carboxamide, 4,5-dihydro-n,1,4,4-tetramethyl-8-((4-(4-methyl-1-piperazinyl)phenyl)amino)-; AS-56203; HY-10424; SMR004700646; DB-075668; FT-0732566; SW219949-1; Y0330; D82291; pyrazolo[4,3-h]quinazoline-3-carboxamide, 28; SR-05000022565; J-523919; SR-05000022565-1; PHA-848125,CAS:802539-81-7; Q27086363; 8-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,4,4-trimethyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid methylamide; N,1,4,4-tetramethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800792	.	.	.	.	460.6	C25H32N8O	91.2	718	2.8	34	2	7	4	"InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29)"	CC1(CC2=CN=C(N=C2C3=C1C(=NN3C)C(=O)NC)NC4=CC=C(C=C4)N5CCN(CC5)C)C	RXZMYLDMFYNEIM-UHFFFAOYSA-N
DG65295	Ethyl 3-[1-(benzylamino)but-3-enyl]indole-1-carboxylate	16721048	CHEMBL226218; NSC732425; NSC-732425	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732425	.	.	.	.	348.4	C22H24N2O2	43.3	461	4.7	26	1	3	8	"InChI=1S/C22H24N2O2/c1-3-10-20(23-15-17-11-6-5-7-12-17)19-16-24(22(25)26-4-2)21-14-9-8-13-18(19)21/h3,5-9,11-14,16,20,23H,1,4,10,15H2,2H3"	CCOC(=O)N1C=C(C2=CC=CC=C21)C(CC=C)NCC3=CC=CC=C3	CDDPWFZMNQIGMN-UHFFFAOYSA-N
DG65296	"2-Amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile"	16721101	CHEMBL238615; NSC736022; NSC-736022	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736022	.	.	.	.	374.2	C17H13Cl2N5O	99	556	3.5	25	1	6	2	"InChI=1S/C17H13Cl2N5O/c18-12-2-1-3-13(19)15(12)14-10(8-20)16(22)23-17(11(14)9-21)24-4-6-25-7-5-24/h1-3H,4-7H2,(H2,22,23)"	C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=C(C=CC=C3Cl)Cl)C#N	ANYQIERYTIYGGT-UHFFFAOYSA-N
DG65298	"(S)-4-(2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol"	16725726	"937174-76-0; GSK690693; GSK-690693; GSK 690693; (S)-4-(2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol; 4-[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-3-piperidinylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl]-2-methyl-3-butyn-2-ol; UNII-GWH480321B; CHEBI:90677; GWH480321B; 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3S)-piperidin-3-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol; 4-{2-(4-Amino-1,2,5-Oxadiazol-3-Yl)-1-Ethyl-7-[(3s)-Piperidin-3-Ylmethoxy]-1h-Imidazo[4,5-C]pyridin-4-Yl}-2-Methylbut-3-Yn-2-Ol; C21H27N7O3; (R)-4-(2-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-1-ETHYL-7-(PIPERIDIN-3-YLMETHOXY)-1H-IMIDAZO[4,5-C]PYRIDIN-4-YL)-2-METHYLBUT-3-YN-2-OL; 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol; G93; compound 3g [PMID 18800763]; SCHEMBL310452; CHEMBL494089; GTPL5196; pan-Akt inhibitor GS690693; BDBM25013; AOB6674; DTXSID60239551; EX-A031; SYN1043; BCP01721; MFCD18711681; NSC766991; NSC800766; s1113; ZINC34285211; AKOS015904356; AT18727; BCP9000745; CCG-264825; DB12745; NSC-766991; NSC-800766; QC-7252; NCGC00263181-01; AC-23166; AS-16204; BG174974; HY-10249; GSK690693,GSK-690693; SW218127-2; Y0271; GSK690693, >=98% (HPLC); A25176; 174G760; J-502225; Q27077916; (R)-4-(2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-3-yl-MeO)-1H-imidazo[4,5-c]pyridin-4-yl)-2-Me-but-3-yn-2-ol; 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-piperidin-3-yl]methoxy}-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol; 4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766991	.	.	.	.	425.5	C21H27N7O3	137	680	0.3	31	3	9	7	"InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1"	CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	KGPGFQWBCSZGEL-ZDUSSCGKSA-N
DG65299	NSC177382	16727450	"(E)-N-[(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-hydroxy-ethyl]-4,5-dihydroxy-tetrahydropyran-3-yl]-5-methyl-hex-2-enamide; NSC177382; ZINC94437817; J-002488; (E)-N-[(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-hydroxy-ethyl]-4,5-dihydroxy-tetrahydropyran-3-yl]-5-methyl-hex-2-enamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	177382	.	.	.	.	718.7	C30H46N4O16	306	1290	-4.1	50	11	16	12	"InChI=1S/C30H46N4O16/c1-11(2)5-4-6-16(38)32-19-23(43)20(40)14(47-29(19)50-28-18(31-12(3)36)22(42)21(41)15(10-35)48-28)9-13(37)26-24(44)25(45)27(49-26)34-8-7-17(39)33-30(34)46/h4,6-8,11,13-15,18-29,35,37,40-45H,5,9-10H2,1-3H3,(H,31,36)(H,32,38)(H,33,39,46)/b6-4+/t13-,14-,15-,18-,19-,20+,21-,22-,23-,24+,25-,26-,27-,28-,29+/m1/s1"	CC(C)C/C=C/C(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)C[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O	ZHSGGJXRNHWHRS-JPMIJSCUSA-N
DG65300	"2,3-Bis-(4-chlorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol"	16730269	"CHEMBL388531; BDBM50241167; NSC743319; NSC-743319; 2,3-Bis-(4-chlorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol; (2R,3S,5R)-2,3-bis(4-chlorophenyl)-5-(hydroxymethyl)tetrahydrofuran-3-ol; (2R*, 3S*, 5R*)-2,3-bis-(4-chloro-phenyl)-5-hydroxymethyl-tetrahydro-furan-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743319	.	.	.	.	339.2	C17H16Cl2O3	49.7	365	3	22	2	3	3	"InChI=1S/C17H16Cl2O3/c18-13-5-1-11(2-6-13)16-17(21,9-15(10-20)22-16)12-3-7-14(19)8-4-12/h1-8,15-16,20-21H,9-10H2/t15-,16-,17+/m1/s1"	C1[C@@H](O[C@@H]([C@]1(C2=CC=C(C=C2)Cl)O)C3=CC=C(C=C3)Cl)CO	XXJIUIJJTWMURB-ZACQAIPSSA-N
DG65301	(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-fluoro-1H-indol-2-one	16735296	CHEMBL227278; NSC734185; NSC-734185	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734185	.	.	.	.	356.8	C19H14ClFN2O2	54.1	572	4.4	25	2	3	2	"InChI=1S/C19H14ClFN2O2/c1-9-5-16-12(8-17(9)25-2)13(18(20)22-16)7-14-11-6-10(21)3-4-15(11)23-19(14)24/h3-8,22H,1-2H3,(H,23,24)/b14-7+"	CC1=CC2=C(C=C1OC)C(=C(N2)Cl)/C=C/3\\C4=C(C=CC(=C4)F)NC3=O	RHVYKQQCYVAQEM-VGOFMYFVSA-N
DG65302	"(3E)-4-chloro-3-[(2-chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one"	16735298	CHEMBL226541; NSC732187; NSC-732187	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732187	.	.	.	.	387.3	C20H16Cl2N2O2	43.3	598	4.9	26	1	2	2	"InChI=1S/C20H16Cl2N2O2/c1-10-7-16-11(9-17(10)26-3)12(19(22)24(16)2)8-13-18-14(21)5-4-6-15(18)23-20(13)25/h4-9H,1-3H3,(H,23,25)/b13-8+"	CC1=CC2=C(C=C1OC)C(=C(N2C)Cl)/C=C/3\\C4=C(C=CC=C4Cl)NC3=O	IPOVLKUAZROXPJ-MDWZMJQESA-N
DG65303	"6-chloro-9-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-9H-purin-2-amine"	16736529	"BIIB021; 848695-25-0; 6-chloro-9-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-9H-purin-2-amine; BIIB-021; CNF2024; BIIB 021; CNF-2024; UNII-851B9FQ7Q0; 6-Chloro-9-[(4-Methoxy-3,5-Dimethylpyridin-2-Yl)methyl]-9h-Purin-2-Amine; CHEMBL467399; CHEBI:90687; 851B9FQ7Q0; 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]purin-2-amine; CNF 2024; 848695-25-0 (free base); (6-Chloro-9-(4-methoxy-3,5-dimethylpyridin-2-ylmethyl)-9h-purin-2-yl)amine; [6-Chloro-9-(4-methoxy-3,5-dimethylpyridin-2-ylmethyl)-9H-purin-2-yl]amine; 6-chloro-9-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)-9h-purin-2-amine; 6-chloro-9-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethyl)-9H-purin-2-ylamine; 6-Chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-9h-purin-2-amine; 94M; 3qdd; BIIB021, Free Base; MLS006011080; GTPL9258; SCHEMBL1791028; BIIB021,CNF2024; BDBM20800; AOB4502; EX-A681; QCR-185; BIIB021(CNF2024); BIIB021; CNF2024; BCPP000335; HMS3654G16; BCP02111; YIB69525; 2-amino-6-halopurine analogue, 20; MFCD15528939; NSC773265; s1175; ZINC14974583; 9H-purin-2-amine, 6-chloro-9-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)-; AKOS015969048; BCP9000411; CCG-264848; CS-0168; DB12359; NSC-773265; SB16641; NCGC00247877-01; AC-32860; AS-55914; HY-10212; SMR004702868; FT-0696777; SW220186-1; X7555; F14744; J-518605; BRD-K51967704-001-01-0; Q27075249"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773265	.	.	.	.	318.76	C14H15ClN6O	91.7	388	1.9	22	1	6	3	"InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)"	CC1=CN=C(C(=C1OC)C)CN2C=NC3=C2N=C(N=C3Cl)N	QULDDKSCVCJTPV-UHFFFAOYSA-N
DG65304	NSC730232	16736584	"(2Z,10E)-3-(Methylbut-2-enyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraen-1-yl 5-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate; CHEMBL229321; NSC730232; NSC-730232; (2Z,10E)-3-(Methylbut-2-enyl)-7,11,15-trimethylhexadeca-2 ,6,10,14-tetraen-1-yl 5-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730232	.	.	.	.	585.1	C29H46ClN2O6P	97.7	904	8.5	39	0	7	19	"InChI=1S/C29H46ClN2O6P/c1-24(2)11-9-12-26(5)13-10-14-27(16-15-25(3)4)19-22-36-39(35,31(6)21-8-7-20-30)37-23-28-17-18-29(38-28)32(33)34/h11,13,15,17-19H,7-10,12,14,16,20-23H2,1-6H3/b26-13+,27-19-"	CC(=CCC/C(=C/CC/C(=C/COP(=O)(N(C)CCCCCl)OCC1=CC=C(O1)[N+](=O)[O-])/CC=C(C)C)/C)C	AWDAFDZLUZUOKI-GGGHJSHRSA-N
DG65305	(3E)-3-[(1-benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-5-fluoro-1H-indol-2-one	16737377	CHEMBL226592; NSC734197; NSC-734197	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734197	.	.	.	.	446.9	C26H20ClFN2O2	43.3	727	6	32	1	3	4	"InChI=1S/C26H20ClFN2O2/c1-15-10-23-19(13-24(15)32-2)20(25(27)30(23)14-16-6-4-3-5-7-16)12-21-18-11-17(28)8-9-22(18)29-26(21)31/h3-13H,14H2,1-2H3,(H,29,31)/b21-12+"	CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=CC=C3)Cl)/C=C/4\\C5=C(C=CC(=C5)F)NC4=O	GGHWWBPESSSSBK-CIAFOILYSA-N
DG65306	"(3E)-3-[(2-chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-5-hydroxy-6-methyl-1H-indol-2-one"	16738491	CHEMBL226543; NSC734207; NSC-734207	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734207	.	.	.	.	382.8	C21H19ClN2O3	63.5	627	4.3	27	2	3	2	"InChI=1S/C21H19ClN2O3/c1-10-5-16-12(8-18(10)25)15(21(26)23-16)7-14-13-9-19(27-4)11(2)6-17(13)24(3)20(14)22/h5-9,25H,1-4H3,(H,23,26)/b15-7+"	CC1=CC2=C(C=C1O)/C(=C\\C3=C(N(C4=C3C=C(C(=C4)C)OC)C)Cl)/C(=O)N2	IJLJGESJNSOCON-VIZOYTHASA-N
DG65307	(3E)-5-chloro-3-[[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-1H-indol-2-one	16738493	CHEMBL226593; NSC734201; NSC-734201	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734201	.	.	.	.	497.8	C26H19Cl3N2O2	43.3	756	7.1	33	1	2	4	"InChI=1S/C26H19Cl3N2O2/c1-14-9-23-19(12-24(14)33-2)20(25(29)31(23)13-15-3-5-16(27)6-4-15)11-21-18-10-17(28)7-8-22(18)30-26(21)32/h3-12H,13H2,1-2H3,(H,30,32)/b21-11+"	CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=C(C=C3)Cl)Cl)/C=C/4\\C5=C(C=CC(=C5)Cl)NC4=O	MEKYKNTWHBWPSY-SRZZPIQSSA-N
DG65308	"(2Z,10E)-3-allyl-7,11,15-trimethylhexadeca-2,6,10,14-tetr aen-1-yl 5-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate"	16738556	"CHEMBL388611; NSC730231; NSC-730231; (2Z,10E)-3-allyl-7,11,15-trimethylhexadeca-2,6,10,14-tetr aen-1-yl 5-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730231	.	.	.	.	557.1	C27H42ClN2O6P	97.7	835	7.7	37	0	7	19	"InChI=1S/C27H42ClN2O6P/c1-6-11-25(15-10-14-24(4)13-9-12-23(2)3)18-21-34-37(33,29(5)20-8-7-19-28)35-22-26-16-17-27(36-26)30(31)32/h6,12,14,16-18H,1,7-11,13,15,19-22H2,2-5H3/b24-14+,25-18+"	CC(=CCC/C(=C/CC/C(=C/COP(=O)(N(C)CCCCCl)OCC1=CC=C(O1)[N+](=O)[O-])/CC=C)/C)C	ZLRMXSICFWQDNL-DFYPRORVSA-N
DG65309	"3,5-Diylbis(5-methoxy-1H-indole)"	16739281	"NSC740108; NSC-740108; 3,5-DIYLBIS(5-METHOXY-1H-INDOLE)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740108	.	.	.	.	374.5	C22H18N2O2S	78.3	477	5.1	27	2	3	4	"InChI=1S/C22H18N2O2S/c1-25-13-3-5-19-15(9-13)17(11-23-19)21-7-8-22(27-21)18-12-24-20-6-4-14(26-2)10-16(18)20/h3-12,23-24H,1-2H3"	COC1=CC2=C(C=C1)NC=C2C3=CC=C(S3)C4=CNC5=C4C=C(C=C5)OC	NNPXTSJASGWGIW-UHFFFAOYSA-N
DG65310	Zotiraciclib	16739650	"SB1317; Zotiraciclib; TG02; TG-02; 937270-47-8; SB-1317; SB-1317 free base; EX45; CHEMBL1944698; UNII-40D08182TT; 1204918-72-8; 40D08182TT; TG02 (SB1317); Zotiraciclib (USAN); Zotiraciclib [USAN]; C23H24N4O; 14-Methyl-20-oxa-5,7,14,27-tetraazatetracyclo [19.3.1.12,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene; 20-Oxa-5,7,14,27-tetraazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene, 14-methyl-; TG02 (Double bond E); (E/Z)-Zotiraciclib; Ex 45; SCHEMBL823947; TG02 [WHO-DD]; GTPL9095; SCHEMBL2298965; SCHEMBL17595943; EX-A239; 14-methyl-20-oxa-5,7,14,27-tetraazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene; AOB87361; BCP07033; 4029AH; BDBM50363196; MFCD22124499; NSC762673; WHO 11186; ZINC68251500; AKOS032950000; SB1317(TG-02); CS-0884; NSC-762673; SB 1317; compound 26h [PMID: 22148278]; NCGC00378999-05; AC-33131; BS-14812; BS167349; HY-15166; D11599; Q27088971; (E)-6-methyl-12-oxa-3,6-diaza-2(4,2)-pyrimidina-1,4(1,3)-dibenzenacyclododecaphan-8-ene; 14-Methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762673	.	.	.	.	372.5	C23H24N4O	50.3	499	4.2	28	1	5	0	"InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+"	CN1C/C=C/CCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1	VXBAJLGYBMTJCY-NSCUHMNNSA-N
DG65311	"4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide"	16747388	"NVP-BHG712; 940310-85-0; 4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide; 4-Methyl-3-[[1-methyl-6-(3-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide; 4-methyl-3-((1-methyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)-N-(3-(trifluoromethyl)phenyl)benzamide; 4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide; 4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide; 4-Methyl-3-{[1-methyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}-N-[3-(trifluoromethyl)phenyl]benzamide; DXH; NVPBHG712; MLS006011050; BHG712; SCHEMBL4699731; CHEMBL3752910; C26H20F3N7O; CHEBI:91447; BHG 712; BHG-712; DTXSID90587779; EX-A160; QCR-258; HMS3655D10; HMS3672C11; HMS3747I03; BCP02362; HY-13258A; MFCD20272929; NSC820919; s2202; ZINC70466439; AKOS027301529; BCP9001010; CCG-269716; NSC-820919; SB16586; NCGC00249391-01; AC-32065; BS-18262; SMR004702842; NVP-BHG712, >=98% (HPLC); CS-0094280; FT-0726029; SW219930-1; X7502; F17367; J-515740; Q27163294; 4-Methyl-3-(1-methyl-6-pyridin-3-yl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-N-(3-trifluoromethyl-phenyl)-benzamide; 4-Methyl-3-[[1-methyl-6-(3-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]-benzamide; 4-methyl-3-[[1-methyl-6-(3-pyridinyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	820919	.	.	.	.	503.5	C26H20F3N7O	97.6	786	4.7	37	2	9	5	"InChI=1S/C26H20F3N7O/c1-15-8-9-16(25(37)32-19-7-3-6-18(12-19)26(27,28)29)11-21(15)33-23-20-14-31-36(2)24(20)35-22(34-23)17-5-4-10-30-13-17/h3-14H,1-2H3,(H,32,37)(H,33,34,35)"	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C	ZCCPLJOKGAACRT-UHFFFAOYSA-N
DG65312	4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)pyrimidin-2-amine	16747683	"602306-29-6; AZD5438; AZD 5438; AZD-5438; 4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)pyrimidin-2-amine; CHEMBL488436; UNII-276Z913G29; MMV676604; 2-Pyrimidinamine,4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]-N-[4-(methylsulfonyl)phenyl]-; 276Z913G29; 4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine; C18H21N5O2S; 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine; 4-(1-isopropyl-2-methyl-1h-imidazol-5-yl)-N-[4-(methylsulfonyl)phenyl]pyrimidin-2-amine; 4-[2-METHYL-1-ISOPROPYL-1H-IMIDAZOL-5-YL]-N-[4-(METHYLSULFONYL)PHENYL]-2-PYRIMIDINAMINE; MLS006011033; GTPL8473; SCHEMBL5092360; CHEBI:91419; AMY2766; AOB2219; EX-A069; BCPP000368; HMS3295K15; HMS3656B05; HMS3750K15; ACT06825; BCP02271; AZD5438,AZD 5438; BDBM50246253; NSC799348; s2621; ZINC40442496; AKOS005145565; BCP9000353; CCG-268315; EX-8669; NSC-799348; SB19462; NCGC00346617-01; NCGC00346617-09; AC-30292; AS-56007; HY-10012; SMR004700644; FT-0724554; SW219680-1; X7441; A24976; 306P296; SR-05000022535; J-514234; SR-05000022535-1; BRD-K72414522-001-02-6; Q27074758; 4-(1-isopropyl-2-methylimidazol-5-yl)-2-(4-mesylanilino)pyrimidine; 4-(1-Isopropyl-2-methylimidazol-5-yl)-2-[4-(methylsulphonyl)anilino]pyrimidine; 2-Pyrimidinamine, 4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4-     (methylsulfonyl)phenyl)-; 4-[2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl]-N-[4-(methylsulfonyl)phenyl]-2-pyrimidinamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799348	.	.	.	.	371.5	C18H21N5O2S	98.2	556	2.2	26	1	6	5	"InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)"	CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C	WJRRGYBTGDJBFX-UHFFFAOYSA-N
DG65313	6-[2-[2-[2-(Trifluoromethyl)phenyl]ethynyl]phenyl]hex-5-yn-1-ol	16750522	CHEMBL226466; NSC735001; NSC-735001	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735001	.	.	.	.	342.4	C21H17F3O	20.2	539	5.5	25	1	4	6	"InChI=1S/C21H17F3O/c22-21(23,24)20-13-7-6-12-19(20)15-14-18-11-5-4-10-17(18)9-3-1-2-8-16-25/h4-7,10-13,25H,1-2,8,16H2"	C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=CC=C2C(F)(F)F	WNTFVUOLHLHQBE-UHFFFAOYSA-N
DG65314	"(E)-1-(2,4-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one"	16753966	CHEMBL406122; SCHEMBL4456570; NSC751956; NSC-751956	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751956	.	.	.	.	358.4	C20H22O6	63.2	451	3.5	26	0	6	8	"InChI=1S/C20H22O6/c1-22-13-6-7-15(18(10-13)24-3)17(21)9-8-16-19(25-4)11-14(23-2)12-20(16)26-5/h6-12H,1-5H3/b9-8+"	COC1=CC(=C(C=C1)C(=O)/C=C/C2=C(C=C(C=C2OC)OC)OC)OC	PIXBMGAQMUKHDT-CMDGGOBGSA-N
DG65315	"4-Chloro-5-phenoxy-3H-1,2-dithiole-3-thione"	16766044	"4-Chloro-5-phenoxy-3H-1,2-dithiole-3-thione; NSC729184; STK692373; ZINC15083198; AKOS005604461; MCULE-3285399080; NSC-729184"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729184	.	.	.	.	260.8	C9H5ClOS3	91.9	271	3.7	14	0	4	2	InChI=1S/C9H5ClOS3/c10-7-8(13-14-9(7)12)11-6-4-2-1-3-5-6/h1-5H	C1=CC=C(C=C1)OC2=C(C(=S)SS2)Cl	LEPYFTHFMLZGBB-UHFFFAOYSA-N
DG65316	"4-Chloro-5-(pyridin-2-ylthio)-3H-1,2-dithiole-3-thione"	16766538	"4-Chloro-5-(pyridin-2-ylthio)-3H-1,2-dithiole-3-thione; NSC729183; STK692640; ZINC15084433; AKOS005604440; MCULE-4216758266; NSC-729183; 4-chloro-5-(2-pyridylsulfanyl)-3H-1,2-dithiole-3-thione; 4-chloro-5-(pyridin-2-ylsulfanyl)-3H-1,2-dithiole-3-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729183	.	.	.	.	277.8	C8H4ClNS4	121	279	3.5	14	0	5	2	InChI=1S/C8H4ClNS4/c9-6-7(11)13-14-8(6)12-5-3-1-2-4-10-5/h1-4H	C1=CC=NC(=C1)SC2=C(C(=S)SS2)Cl	BCKPAYQKJKNEJU-UHFFFAOYSA-N
DG65317	"Dimethyl 2-{1-chloro-2-[(2-hydroxyphenyl)amino]-2-thioxoethylidene}-1,3-dithiole-4,5-dicarboxylate"	16766542	"NSC729189; STK692644; ZINC15084441; AKOS005604473; MCULE-1926423102; NSC-729189; Dimethyl 2-{1-chloro-2-[(2-hydroxyphenyl)amino]-2-thioxoethylidene}-1 ,5-dicarboxylate; dimethyl 2-[1-chloro-2-(2-hydroxyanilino)-2-thioxoethylidene]-1,3-dithiole-4,5-dicarboxylate; dimethyl 2-{1-chloro-2-[(2-hydroxyphenyl)amino]-2-thioxoethylidene}-1,3-dithiole-4,5-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729189	.	.	.	.	417.9	C15H12ClNO5S3	168	619	3.6	25	2	8	6	"InChI=1S/C15H12ClNO5S3/c1-21-13(19)10-11(14(20)22-2)25-15(24-10)9(16)12(23)17-7-5-3-4-6-8(7)18/h3-6,18H,1-2H3,(H,17,23)"	COC(=O)C1=C(SC(=C(C(=S)NC2=CC=CC=C2O)Cl)S1)C(=O)OC	VRYGXZUVQGDWAL-UHFFFAOYSA-N
DG65318	2-(4-methoxyphenyl)-5-{[2-(4-methoxyphenyl)-1H-benzimidazol-5-yl]methyl}-1H-benzimidazole	17325420	GNF-Pf-812; CHEMBL596852; MMV007384; NSC766470; MCULE-9875122150; NSC-766470; 2-(4-methoxyphenyl)-5-{[2-(4-methoxyphenyl)-1H-benzimidazol-5-yl]methyl}-1H-benzimidazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766470	.	.	.	.	460.5	C29H24N4O2	75.8	622	6.2	35	2	4	6	"InChI=1S/C29H24N4O2/c1-34-22-9-5-20(6-10-22)28-30-24-13-3-18(16-26(24)32-28)15-19-4-14-25-27(17-19)33-29(31-25)21-7-11-23(35-2)12-8-21/h3-14,16-17H,15H2,1-2H3,(H,30,32)(H,31,33)"	COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)CC4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)OC	UAHNYHPLYYIAEP-UHFFFAOYSA-N
DG65319	N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-3-yl)quinoline-4-carboxamide	17373844	TCMDC-125223; CHEMBL581187; MMV020490; NSC766615; STK446111; ZINC20522477; AKOS003326038; MCULE-4677417056; NSC-766615; N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-3-yl)quinoline-4-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766615	.	.	.	.	457	C27H25ClN4O	58.1	634	4.8	33	1	4	5	"InChI=1S/C27H25ClN4O/c28-21-8-9-25-23(15-21)24(16-26(31-25)20-7-4-12-29-17-20)27(33)30-22-10-13-32(14-11-22)18-19-5-2-1-3-6-19/h1-9,12,15-17,22H,10-11,13-14,18H2,(H,30,33)"	C1CN(CCC1NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4)CC5=CC=CC=C5	UVUCEFFMTRFLDP-UHFFFAOYSA-N
DG65320	N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-4-yl)quinoline-4-carboxamide	17375211	TCMDC-124995; CHEMBL529348; MMV020275; NSC766585; STK446932; ZINC20522479; AKOS003320891; MCULE-3104953403; NSC-766585; N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-4-yl)quinoline-4-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766585	.	.	.	.	457	C27H25ClN4O	58.1	628	4.8	33	1	4	5	"InChI=1S/C27H25ClN4O/c28-21-6-7-25-23(16-21)24(17-26(31-25)20-8-12-29-13-9-20)27(33)30-22-10-14-32(15-11-22)18-19-4-2-1-3-5-19/h1-9,12-13,16-17,22H,10-11,14-15,18H2,(H,30,33)"	C1CN(CCC1NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=NC=C4)CC5=CC=CC=C5	HGNKPMCVRMVSIK-UHFFFAOYSA-N
DG65321	"2,5-Dimethoxy-beta-methyl-beta-nitrostyrene"	17384199	"1,4-dimethoxy-2-[(Z)-2-nitroprop-1-enyl]benzene; 18790-57-3; Benzene, 1,4-dimethoxy-2-(2-nitro-1-propenyl)-; 2,5-Dimethoxy-.beta.-methyl-.beta.-nitrostyrene; SCHEMBL16429418; NSC151247; ZINC16974557; NSC-151247; Benzene,4-dimethoxy-2-(2-nitropropenyl)-; 1,4-Dimethoxy-2-(2-nitro-1-propenyl)benzene; Benzene,4-dimethoxy-2-(2-nitro-1-propenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	151247	.	.	.	.	223.22	C11H13NO4	64.3	272	2.5	16	0	4	3	"InChI=1S/C11H13NO4/c1-8(12(13)14)6-9-7-10(15-2)4-5-11(9)16-3/h4-7H,1-3H3/b8-6-"	C/C(=C/C1=C(C=CC(=C1)OC)OC)/[N+](=O)[O-]	MQFREHNTGKNSRH-VURMDHGXSA-N
DG65322	"6-amino-7-(benzenesulfonyl)-5-[(pyridin-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile"	17549909	"AB00985142-01; cid_17549909; BDBM200271; ZINC9156350; NSC743265; AKOS033816737; MCULE-2706735704; NSC-743265; Z223639760; 6-amino-7-(benzenesulfonyl)-5-[(pyridin-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile; 920902-29-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743265	.	.	.	.	415.4	C20H13N7O2S	160	819	1.9	30	1	8	4	"InChI=1S/C20H13N7O2S/c21-9-15-16(10-22)26-20-17(25-15)18(30(28,29)14-6-2-1-3-7-14)19(23)27(20)12-13-5-4-8-24-11-13/h1-8,11H,12,23H2"	C1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC(=C(N=C23)C#N)C#N)CC4=CN=CC=C4)N	VWVDIYNBWCHBQY-UHFFFAOYSA-N
DG65323	"6-amino-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[3-(morpholin-4-yl)propyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile"	17549910	"AB00985143-01; cid_17549910; BDBM200269; NSC743268; ZINC23983763; AKOS033816738; MCULE-8575398280; NSC-743268; Z223639762; 6-amino-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5-[3-(morpholin-4-yl)propyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile; 920929-21-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743268	.	.	.	.	441.5	C23H23N9O	135	785	1.2	33	1	8	5	"InChI=1S/C23H23N9O/c1-30-18-6-3-2-5-15(18)28-22(30)19-20-23(29-17(14-25)16(13-24)27-20)32(21(19)26)8-4-7-31-9-11-33-12-10-31/h2-3,5-6H,4,7-12,26H2,1H3"	CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC(=C(N=C34)C#N)C#N)CCCN5CCOCC5)N	MLSKKZILDUZBJG-UHFFFAOYSA-N
DG65324	"3-chloro-1-[(4-methoxyphenyl)methyl]-4-{[3-(trifluoromethyl)phenyl]amino}-2,5-dihydro-1H-pyrrole-2,5-dione"	17549914	"NSC743271; ZINC12623889; AKOS033816742; MCULE-1115987273; NSC-743271; Z223639772; 3-chloro-1-[(4-methoxyphenyl)methyl]-4-{[3-(trifluoromethyl)phenyl]amino}-2,5-dihydro-1H-pyrrole-2,5-dione; 924168-87-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743271	.	.	.	.	410.8	C19H14ClF3N2O3	58.6	645	4.4	28	1	7	5	"InChI=1S/C19H14ClF3N2O3/c1-28-14-7-5-11(6-8-14)10-25-17(26)15(20)16(18(25)27)24-13-4-2-3-12(9-13)19(21,22)23/h2-9,24H,10H2,1H3"	COC1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(F)(F)F	GFDIWNLTCFQFEQ-UHFFFAOYSA-N
DG65325	"6-amino-7-(4-chlorobenzenesulfonyl)-5-[3-(morpholin-4-yl)propyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile"	17549916	"AB00985146-01; cid_17549916; BDBM200268; NSC743264; ZINC23983304; AKOS033816744; MCULE-8320753562; NSC-743264; Z223639776; 6-amino-7-(4-chlorobenzenesulfonyl)-5-[3-(morpholin-4-yl)propyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile; 920941-53-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743264	.	.	.	.	485.9	C21H20ClN7O3S	159	883	2	33	1	9	6	"InChI=1S/C21H20ClN7O3S/c22-14-2-4-15(5-3-14)33(30,31)19-18-21(27-17(13-24)16(12-23)26-18)29(20(19)25)7-1-6-28-8-10-32-11-9-28/h2-5H,1,6-11,25H2"	C1COCCN1CCCN2C(=C(C3=NC(=C(N=C32)C#N)C#N)S(=O)(=O)C4=CC=C(C=C4)Cl)N	ISUHBEGRNWBKBD-UHFFFAOYSA-N
DG65326	Atorvastatin(1-)	17589822	"atorvastatin(1-); ATORVASTATIN CALCIUM; diphenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid; or (3R,5R)-7-[3-(phenylcarbamoyl)-2-isopropyl-4,5-; Atorvastatin Related Compound A (20 mg) (Desfluoro impurity,; CHEMBL393220; 134523-03-8; calcium bis{(3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate}; CHEBI:50690; BDBM50221993; NSC779709; NSC-779709; AB01566887_01; A1-01746; Q27122188; (3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	779709	.	.	.	.	557.6	C33H34FN2O5-	115	817	5.6	41	3	6	11	"InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/p-1/t26-,27-/m1/s1"	CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4	XUKUURHRXDUEBC-KAYWLYCHSA-M
DG65327	"4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine"	17751819	"CCT128930; 885499-61-6; 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine; CCT-128930; CCT 128930; CHEMBL263664; 4-[(4-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine; 4-Piperidinamine, 4-[(4-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-; C18H20ClN5; 4-[(4-chlorophenyl)methyl]-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidin-4-amine; M05; MLS006010998; SCHEMBL1002126; DTXSID80590818; HMS3656J07; HMS3750O13; BCP02903; BDBM50237622; MFCD13177916; NSC761387; s2635; ZINC16052630; AKOS025395962; AM86141; BCP9000496; CCG-267939; CS-0473; NSC-761387; SB19264; 4-((4-chlorophenyl)methyl)-1-(7h-pyrrolo(2,3-d)pyrimidin-4-yl)-4-piperidinamine; NCGC00346621-01; NCGC00346621-02; NCGC00346621-05; AC-32074; HY-13260; SMR004702796; BCP0726000272; PR-1-0083; SW218209-2; X7446; F17888; US8796293, 17; J-513161; 4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-; 4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761387	.	.	.	.	341.8	C18H20ClN5	70.8	418	3.1	24	2	4	3	"InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)"	C1CN(CCC1(CC2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	RZIDZIGAXXNODG-UHFFFAOYSA-N
DG65328	"2-(4-(1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol"	17754438	"PF-04217903; 956905-27-4; PF04217903; 2-(4-(1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol; 1159490-85-3; PF 04217903; UNII-CYJ9ATV1IJ; PF-4217903; CYJ9ATV1IJ; CHEMBL2001019; Met tyrosine kinase inhibitor PF-04217903; 2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol; 956905-27-4 (free base); PF-04217903 (phenolsulfonate); C19H16N8O; 2-[4-(3-Quinolin-6-ylmethyl-3H-[1,2,3]triazolo[4,5-b]pyrazin-5-yl)-pyrazol-1-yl]-ethanol; 2-(4-(1-(Quinolin-6-ylmethyl)-1H-(1,2,3)triazolo(4,5-b)pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol; 2-(4-(3-(quinolin-6-ylmethyl)-3H-[1,2,3]triazolo[4,5-b]pyrazin-5-yl)-1H-pyrazol-1-yl)ethanol; 2-{4-[1-(QUINOLIN-6-YLMETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRAZIN-6-YL]-1H-PYRAZOL-1-YL}ETHANOL; 3zxz; 2-[4-[1-(Quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl]-1H-pyrazol-1-yl]ethanol; Kinome_3829; SCHEMBL93550; MLS006010959; CHEBI:91425; EX-A478; QCR-189; SYN1060; HMS3244G11; HMS3244G12; HMS3244H11; HMS3295M07; HMS3654I19; AMY23856; AOB87137; BCP01847; BDBM50396934; MFCD12407410; NSC763931; NSC800845; s1094; ZINC43195316; AKOS026750596; CCG-264818; CS-0147; DB12848; NSC-763931; NSC-800845; SB19372; 1H-Pyrazole-1-ethanol, 4-(1-(6-quinolinylmethyl)-1H-1,2,3-triazolo(4,5-b)pyrazin-6-yl); NCGC00263161-01; NCGC00263161-03; NCGC00263161-11; 2-(4-(1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethan-1-ol; AS-16216; HY-12017; SMR004702763; FT-0700423; SW218126-2; X7368; EC-000.2351; 407Q410; A858951; J-505841; BRD-K73319509-001-01-5; PF-04217903,PF-4217903; Q27163274; 2-(4-(1-(isoquinolin-7-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol; 2-{4-[1-(6-Quinolinylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-y l]-1H-pyrazol-1-yl}ethanol; KRW"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763931	.	.	.	.	372.4	C19H16N8O	107	524	0.7	28	1	7	5	"InChI=1S/C19H16N8O/c28-7-6-26-12-15(9-22-26)17-10-21-18-19(23-17)27(25-24-18)11-13-3-4-16-14(8-13)2-1-5-20-16/h1-5,8-10,12,28H,6-7,11H2"	C1=CC2=C(C=CC(=C2)CN3C4=NC(=CN=C4N=N3)C5=CN(N=C5)CCO)N=C1	PDMUGYOXRHVNMO-UHFFFAOYSA-N
DG65329	1-[5-(11-Hydroxyundec-1-ynyl)furan-2-yl]tridecan-1-ol	17754962	NSC732217; NSC-732217	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732217	.	.	.	.	432.7	C28H48O3	53.6	450	9.7	31	2	3	21	"InChI=1S/C28H48O3/c1-2-3-4-5-6-7-10-13-16-19-22-27(30)28-24-23-26(31-28)21-18-15-12-9-8-11-14-17-20-25-29/h23-24,27,29-30H,2-17,19-20,22,25H2,1H3"	CCCCCCCCCCCCC(C1=CC=C(O1)C#CCCCCCCCCCO)O	PIKPEMADOWAIRR-UHFFFAOYSA-N
DG65330	"6-(3-Azidopropyl)-5,11-dioxo-9-thiomethy l-11H-indeno[1,2-c]isoquinoline"	17755020	"CHEMBL245201; NSC736624; NSC-736624; 6-(3-Azidopropyl)-5,11-dioxo-9-thiomethy l-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736624	.	.	.	.	421.4	C20H15N5O4S	123	834	4	30	0	7	5	"InChI=1S/C20H15N5O4S/c1-30-12-4-6-14-15(10-12)19(26)17-13-5-3-11(25(28)29)9-16(13)20(27)24(18(14)17)8-2-7-22-23-21/h3-6,9-10H,2,7-8H2,1H3"	CSC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-]	AMTSSVBONDVENH-UHFFFAOYSA-N
DG65331	"6-(3-Azidopropyl)-5,11-dioxo-3-nitro-11H-indeno[1,2-c]isoquinoline"	17755021	"CHEMBL123600; SCHEMBL13924032; NSC731153; NSC-731153; 6-(3-Azidopropyl)-5,11-dioxo-3-nitro-11H-indeno[ 1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731153	.	.	.	.	375.3	C19H13N5O4	97.6	782	3.5	28	0	6	4	"InChI=1S/C19H13N5O4/c20-22-21-8-3-9-23-17-13-4-1-2-5-14(13)18(25)16(17)12-7-6-11(24(27)28)10-15(12)19(23)26/h1-2,4-7,10H,3,8-9H2"	C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-]	LXCKTBKQPKICDR-UHFFFAOYSA-N
DG65332	"6-(3-Azidopropyl)5,11-dioxo-11H-i ndeno[1,2-c]isoquinoline"	17755023	"CHEMBL241979; NSC736202; NSC-736202; 6-(3-Azidopropyl)5,11-dioxo-11H-i ndeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736202	.	.	.	.	501.2	C19H12IN5O4	97.6	818	4.1	29	0	6	4	"InChI=1S/C19H12IN5O4/c20-10-2-4-13-14(8-10)18(26)16-12-5-3-11(25(28)29)9-15(12)19(27)24(17(13)16)7-1-6-22-23-21/h2-5,8-9H,1,6-7H2"	C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)I)CCCN=[N+]=[N-]	IFQGELMUHIDTGV-UHFFFAOYSA-N
DG65333	"6-(3-Azidopropyl)-9-cyano-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	17755024	"CHEMBL241980; NSC740974; NSC-740974; 6-(3-Azidopropyl)-9-cyano-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740974	.	.	.	.	400.3	C20H12N6O4	121	908	3.2	30	0	7	4	"InChI=1S/C20H12N6O4/c21-10-11-2-4-14-15(8-11)19(27)17-13-5-3-12(26(29)30)9-16(13)20(28)25(18(14)17)7-1-6-23-24-22/h2-5,8-9H,1,6-7H2"	C1=CC2=C(C=C1C#N)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN=[N+]=[N-]	KAMMDTWJOXJLIA-UHFFFAOYSA-N
DG65334	"6-(3-Aminopropyl)-9-ethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	17755025	"NSC740645; NSC-740645; 6-(3-Aminopropyl)-9-ethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740645	.	.	.	.	429.9	C21H20ClN3O5	118	730	.	30	2	6	5	"InChI=1S/C21H19N3O5.ClH/c1-2-29-13-5-7-15-16(11-13)20(25)18-14-6-4-12(24(27)28)10-17(14)21(26)23(19(15)18)9-3-8-22;/h4-7,10-11H,2-3,8-9,22H2,1H3;1H"	CCOC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl	NAZXLFMWXGIWEZ-UHFFFAOYSA-N
DG65336	"6-(3-Amonopropyl)-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline Hydrochloride"	17755118	"NSC736116; NSC-736116; 6-(3-Amonopropyl)-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736116	.	.	.	.	399.8	C20H18ClN3O4	109	698	.	28	2	5	3	"InChI=1S/C20H17N3O4.ClH/c1-11-3-5-14-15(9-11)19(24)17-13-6-4-12(23(26)27)10-16(13)20(25)22(18(14)17)8-2-7-21;/h3-6,9-10H,2,7-8,21H2,1H3;1H"	CC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl	KQYKHXWUEJKHDY-UHFFFAOYSA-N
DG65337	"6-(3-Aminopropyl)-5,11-dioxo-9-phenyl-1 1H[1,2-c]isoquinoline Hydrochloride"	17755120	"NSC737671; NSC-737671; 6-(3-Aminopropyl)-5,11-dioxo-9-phenyl-1 1H[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737671	.	.	.	.	461.9	C25H20ClN3O4	109	813	.	33	2	5	4	"InChI=1S/C25H19N3O4.ClH/c26-11-4-12-27-23-19-9-7-16(15-5-2-1-3-6-15)13-20(19)24(29)22(23)18-10-8-17(28(31)32)14-21(18)25(27)30;/h1-3,5-10,13-14H,4,11-12,26H2;1H"	C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCN.Cl	HODQATQLONCASF-UHFFFAOYSA-N
DG65338	"6-(3-Aminopropyl)-9-fluoro-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline Hydrochloride"	17755122	"NSC736394; NSC-736394; 6-(3-Aminopropyl)-9-fluoro-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736394	.	.	.	.	403.8	C19H15ClFN3O4	109	704	.	28	2	6	3	"InChI=1S/C19H14FN3O4.ClH/c20-10-2-4-13-14(8-10)18(24)16-12-5-3-11(23(26)27)9-15(12)19(25)22(17(13)16)7-1-6-21;/h2-5,8-9H,1,6-7,21H2;1H"	C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)F)CCCN.Cl	QNAFRBBDLMXZEZ-UHFFFAOYSA-N
DG65339	"6-(3-Aminopropyl)-9-bromo-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	17755124	"NSC734562; NSC-734562; 6-(3-Aminopropyl)-9-bromo-5,11-dioxo-11H -indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734562	.	.	.	.	464.7	C19H15BrClN3O4	109	704	.	28	2	5	3	"InChI=1S/C19H14BrN3O4.ClH/c20-10-2-4-13-14(8-10)18(24)16-12-5-3-11(23(26)27)9-15(12)19(25)22(17(13)16)7-1-6-21;/h2-5,8-9H,1,6-7,21H2;1H"	C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)Br)CCCN.Cl	NXGGPXFLOUDJQA-UHFFFAOYSA-N
DG65340	"6-(3-Aminopropyl)-5,11-dioxo-11H-i ndeno[1,2-c]isoquinoline Hydrochloride"	17755126	"NSC736493; NSC-736493; 6-(3-Aminopropyl)-5,11-dioxo-11H-i ndeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736493	.	.	.	.	511.7	C19H15ClIN3O4	109	704	.	28	2	5	3	"InChI=1S/C19H14IN3O4.ClH/c20-10-2-4-13-14(8-10)18(24)16-12-5-3-11(23(26)27)9-15(12)19(25)22(17(13)16)7-1-6-21;/h2-5,8-9H,1,6-7,21H2;1H"	C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)I)CCCN.Cl	SWGXNDOHGNTPPR-UHFFFAOYSA-N
DG65341	"6-(3-Aminopropyl)-9-cyano-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	17755128	"NSC741107; NSC-741107; 6-(3-Aminopropyl)-9-cyano-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741107	.	.	.	.	410.8	C20H15ClN4O4	133	792	.	29	2	6	3	"InChI=1S/C20H14N4O4.ClH/c21-6-1-7-23-18-14-4-2-11(10-22)8-15(14)19(25)17(18)13-5-3-12(24(27)28)9-16(13)20(23)26;/h2-5,8-9H,1,6-7,21H2;1H"	C1=CC2=C(C=C1C#N)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN.Cl	ORWUSSJLUPFYCH-UHFFFAOYSA-N
DG65342	"methyl N-(6-{4-[(phenylcarbamoyl)amino]phenoxy}-1H-1,3-benzodiazol-2-yl)carbamate"	17755137	"GW694590A; benzimidazole-urea, 15; CHEMBL243891; BDBM17787; NSC756319; NSC-756319; NCGC00241924-01; AB01092232-01; methyl N-(6-{4-[(phenylcarbamoyl)amino]phenoxy}-1H-1,3-benzodiazol-2-yl)carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756319	.	.	.	.	417.4	C22H19N5O4	117	607	3.6	31	4	5	6	"InChI=1S/C22H19N5O4/c1-30-22(29)27-20-25-18-12-11-17(13-19(18)26-20)31-16-9-7-15(8-10-16)24-21(28)23-14-5-3-2-4-6-14/h2-13H,1H3,(H2,23,24,28)(H2,25,26,27,29)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4	LSYSLIJSKJGOJX-UHFFFAOYSA-N
DG65343	"9-Acetamido-6-(3-bromopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	17755222	"CHEMBL241999; NSC737672; NSC-737672; 9-Acetamido-6-(3-bromopropyl)-5,11-dioxo -11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737672	.	.	.	.	485.3	C23H21BrN2O5	84.9	784	2.6	31	1	5	6	"InChI=1S/C23H21BrN2O5/c1-12(27)25-13-5-6-14-16(9-13)22(28)20-15-10-18(30-2)19(31-3)11-17(15)23(29)26(21(14)20)8-4-7-24/h5-6,9-11H,4,7-8H2,1-3H3,(H,25,27)"	CC(=O)NC1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCBr)OC)OC	OXZQMVSSOIXHLM-UHFFFAOYSA-N
DG65344	"Benzimidazole-urea, 47"	17755232	"benzimidazole-urea, 47; GW709042A; CHEMBL243917; SCHEMBL5358866; BDBM17819; NSC756327; NSC-756327; NCGC00241909-01; AB01092235-01; N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1H-1,3-benzodiazol-2-yl}benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756327	.	.	.	.	549.5	C28H19F4N5O3	108	865	5.7	40	4	8	6	"InChI=1S/C28H19F4N5O3/c29-21-12-6-17(28(30,31)32)14-23(21)36-27(39)33-18-7-9-19(10-8-18)40-20-11-13-22-24(15-20)35-26(34-22)37-25(38)16-4-2-1-3-5-16/h1-15H,(H2,33,36,39)(H2,34,35,37,38)"	C1=CC=C(C=C1)C(=O)NC2=NC3=C(N2)C=C(C=C3)OC4=CC=C(C=C4)NC(=O)NC5=C(C=CC(=C5)C(F)(F)F)F	BUBCSTHPMRUDOR-UHFFFAOYSA-N
DG65345	"6-(3-Chloropropyl)-5,3-dimethyoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	17755315	"CHEMBL230946; NSC732659; NSC-732659; 6-(3-Chloropropyl)-5,3-dimethyoxy-5,11-dioxo-11H -indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732659	.	.	.	.	383.8	C21H18ClNO4	55.8	648	3.3	27	0	4	5	"InChI=1S/C21H18ClNO4/c1-26-16-10-14-15(11-17(16)27-2)21(25)23(9-5-8-22)19-12-6-3-4-7-13(12)20(24)18(14)19/h3-4,6-7,10-11H,5,8-9H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCl)OC	RBNJUOSLYWNDIY-UHFFFAOYSA-N
DG65346	"6-(3-Chloro-propyl)-2,11-dioxo-5,11-dihydro-6H-indeno[1,2-c]isoquinoline-9-carboxylic acid methyl ester"	17755316	"CHEMBL230948; NSC734797; NSC-734797; 6-(3-Chloro-propyl)-2,11-dioxo-5,11-dihydro-6H -indeno[1,2-c]isoquinoline-9-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734797	.	.	.	.	441.9	C23H20ClNO6	82.1	782	3.1	31	0	6	7	"InChI=1S/C23H20ClNO6/c1-29-17-10-14-16(11-18(17)30-2)22(27)25(8-4-7-24)20-13-6-5-12(23(28)31-3)9-15(13)21(26)19(14)20/h5-6,9-11H,4,7-8H2,1-3H3"	COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)C(=O)OC)N(C2=O)CCCCl)OC	BFAVXUQHJBIJQU-UHFFFAOYSA-N
DG65347	"6-(3-chloropropyl)-6,3-dimethoxy-5,11-dioxo-5H-indeno[1,2-c]isoquinoline-9-carbonitrile"	17755317	"CHEMBL231054; NSC734561; NSC-734561; 6-(3-chloropropyl)-6,3-dimethoxy-5,11-dioxo-5H- indeno[1,2-c]isoquinoline-9-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734561	.	.	.	.	408.8	C22H17ClN2O4	79.6	772	3	29	0	5	5	"InChI=1S/C22H17ClN2O4/c1-28-17-9-14-16(10-18(17)29-2)22(27)25(7-3-6-23)20-13-5-4-12(11-24)8-15(13)21(26)19(14)20/h4-5,8-10H,3,6-7H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)C#N)N(C2=O)CCCCl)OC	RQABYVCEIGEDGO-UHFFFAOYSA-N
DG65348	"9-Amino-6-(3-azidopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	17755320	"CHEMBL230212; NSC740033; NSC-740033; 9-Amino-6-(3-azidopropyl)-5,11-dioxo-11H -indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740033	.	.	.	.	405.4	C21H19N5O4	96.2	792	2.9	30	1	7	6	"InChI=1S/C21H19N5O4/c1-29-16-9-13-15(10-17(16)30-2)21(28)26(7-3-6-24-25-23)19-12-5-4-11(22)8-14(12)20(27)18(13)19/h4-5,8-10H,3,6-7,22H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)N)N(C2=O)CCCN=[N+]=[N-])OC	XJGSUBISCUNULI-UHFFFAOYSA-N
DG65349	"6-(3-Azidopropyl)-5,3,9-trimethoxy-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline"	17755406	"CHEMBL267477; NSC737342; NSC-737342; 6-(3-Azidopropyl)-5,3,9-trimethoxy-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737342	.	.	.	.	420.4	C22H20N4O5	79.4	808	3.6	31	0	7	7	"InChI=1S/C22H20N4O5/c1-29-12-5-6-13-15(9-12)21(27)19-14-10-17(30-2)18(31-3)11-16(14)22(28)26(20(13)19)8-4-7-24-25-23/h5-6,9-11H,4,7-8H2,1-3H3"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCN=[N+]=[N-])OC)OC	VTFXWANSFWRZBM-UHFFFAOYSA-N
DG65350	"6-(3-Azidopropyl)-5,3-dimethoxy-5,11-dioxo-11H-i ndeno[1,2-c]isoquinoline"	17755408	"CHEMBL230318; NSC732937; NSC-732937; 6-(3-Azidopropyl)-5,3-dimethoxy-5,11-dioxo-11H-i ndeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732937	.	.	.	.	390.4	C21H18N4O4	70.2	760	3.6	29	0	6	6	"InChI=1S/C21H18N4O4/c1-28-16-10-14-15(11-17(16)29-2)21(27)25(9-5-8-23-24-22)19-12-6-3-4-7-13(12)20(26)18(14)19/h3-4,6-7,10-11H,5,8-9H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN=[N+]=[N-])OC	JBTBHCRLGRFDCK-UHFFFAOYSA-N
DG65351	"6-(3-Azidopropyl)-9-fluoro-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	17755409	"CHEMBL230319; NSC740524; NSC-740524; 6-(3-Azidopropyl)-9-fluoro-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740524	.	.	.	.	408.4	C21H17FN4O4	70.2	796	3.7	30	0	7	6	"InChI=1S/C21H17FN4O4/c1-29-16-9-13-15(10-17(16)30-2)21(28)26(7-3-6-24-25-23)19-12-5-4-11(22)8-14(12)20(27)18(13)19/h4-5,8-10H,3,6-7H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)F)N(C2=O)CCCN=[N+]=[N-])OC	CXYWBXHQOFSIJB-UHFFFAOYSA-N
DG65352	"6-(3-Azido-propyl)-2,11-dioxo-5,11-dihydro-6H-indeno[1,2-c]isoquinoline-9-carboxylic acid methyl ester"	17755410	"CHEMBL388941; NSC734905; NSC-734905; 6-(3-Azido-propyl)-2,11-dioxo-5,11-dihydro-6H- indeno[1,2-c]isoquinoline-9-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734905	.	.	.	.	448.4	C23H20N4O6	96.5	897	3.4	33	0	8	8	"InChI=1S/C23H20N4O6/c1-31-17-10-14-16(11-18(17)32-2)22(29)27(8-4-7-25-26-24)20-13-6-5-12(23(30)33-3)9-15(13)21(28)19(14)20/h5-6,9-11H,4,7-8H2,1-3H3"	COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)C(=O)OC)N(C2=O)CCCN=[N+]=[N-])OC	JKTYFKHQOKTNRA-UHFFFAOYSA-N
DG65353	"6-(3-Azido-propyl)-2,11-dioxo-5,11-dihydro-6 H-indeno[1,2-c]isoquinoline-9-carbonitrile"	17755511	"CHEMBL230422; NSC734749; NSC-734749; 6-(3-Azido-propyl)-2,11-dioxo-5,11-dihydro-6 H-indeno[1,2-c]isoquinoline-9-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734749	.	.	.	.	415.4	C22H17N5O4	94	886	3.3	31	0	7	6	"InChI=1S/C22H17N5O4/c1-30-17-9-14-16(10-18(17)31-2)22(29)27(7-3-6-25-26-24)20-13-5-4-12(11-23)8-15(13)21(28)19(14)20/h4-5,8-10H,3,6-7H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)C#N)N(C2=O)CCCN=[N+]=[N-])OC	CHNNBYMXFXINAT-UHFFFAOYSA-N
DG65354	"6-(3-Azidopropyl)-5,3-dimethoxy-9-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	17755512	"CHEMBL230423; NSC740563; NSC-740563; 6-(3-Azidopropyl)-5,3-dimethoxy-9-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740563	.	.	.	.	435.4	C21H17N5O6	116	878	3.4	32	0	8	6	"InChI=1S/C21H17N5O6/c1-31-16-9-13-15(10-17(16)32-2)21(28)25(7-3-6-23-24-22)19-12-5-4-11(26(29)30)8-14(12)20(27)18(13)19/h4-5,8-10H,3,6-7H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])N(C2=O)CCCN=[N+]=[N-])OC	RLIDCXQQPTVQRM-UHFFFAOYSA-N
DG65355	"9-Amino-6-(3-aminopropyl)-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrochloride"	17755513	"NSC740267; NSC-740267; 9-Amino-6-(3-aminopropyl)-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740267	.	.	.	.	415.9	C21H22ClN3O4	108	679	.	29	3	6	5	"InChI=1S/C21H21N3O4.ClH/c1-27-16-9-13-15(10-17(16)28-2)21(26)24(7-3-6-22)19-12-5-4-11(23)8-14(12)20(25)18(13)19;/h4-5,8-10H,3,6-7,22-23H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)N)N(C2=O)CCCN)OC.Cl	PATYTGNISWRCGY-UHFFFAOYSA-N
DG65356	"6-(3-Aminopropyl)-5,3-dimethoxy-9-dimethylamino-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrocloride"	17755515	"NSC740506; NSC-740506; 6-(3-Aminopropyl)-5,3-dimethoxy-9-dimethylamino-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrocloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740506	.	.	.	.	443.9	C23H26ClN3O4	85.1	721	.	31	2	6	6	"InChI=1S/C23H25N3O4.ClH/c1-25(2)13-6-7-14-16(10-13)22(27)20-15-11-18(29-3)19(30-4)12-17(15)23(28)26(21(14)20)9-5-8-24;/h6-7,10-12H,5,8-9,24H2,1-4H3;1H"	CN(C)C1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCN)OC)OC.Cl	ZXHLDDURBYMMMW-UHFFFAOYSA-N
DG65357	"6-(3-Aminopropyl)-5,3,9-trimethoxy-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline Hydrochloride"	17755517	"NSC737344; NSC-737344; 6-(3-Aminopropyl)-5,3,9-trimethoxy-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737344	.	.	.	.	430.9	C22H23ClN2O5	91.1	693	.	30	2	6	6	"InChI=1S/C22H22N2O5.ClH/c1-27-12-5-6-13-15(9-12)21(25)19-14-10-17(28-2)18(29-3)11-16(14)22(26)24(20(13)19)8-4-7-23;/h5-6,9-11H,4,7-8,23H2,1-3H3;1H"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCN)OC)OC.Cl	QTQUYDAACMUGIW-UHFFFAOYSA-N
DG65358	"6-(3-Aminopropyl)-9-ethyl-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	17755519	"NSC740272; NSC-740272; 6-(3-Aminopropyl)-9-ethyl-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740272	.	.	.	.	428.9	C23H25ClN2O4	81.9	690	.	30	2	5	6	"InChI=1S/C23H24N2O4.ClH/c1-4-13-6-7-14-16(10-13)22(26)20-15-11-18(28-2)19(29-3)12-17(15)23(27)25(21(14)20)9-5-8-24;/h6-7,10-12H,4-5,8-9,24H2,1-3H3;1H"	CCC1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCN)OC)OC.Cl	QTQJTAKJJYEFIL-UHFFFAOYSA-N
DG65359	"6-(3-Aminopropyl)-5,3-dimethoxy-5,11-dioxo-11H-i ndeno[1,2-c]isoquinoline Hydrochloride"	17755622	"NSC733501; NSC-733501; 6-(3-Aminopropyl)-5,3-dimethoxy-5,11-dioxo-11H-i ndeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733501	.	.	.	.	400.9	C21H21ClN2O4	81.9	646	.	28	2	5	5	"InChI=1S/C21H20N2O4.ClH/c1-26-16-10-14-15(11-17(16)27-2)21(25)23(9-5-8-22)19-12-6-3-4-7-13(12)20(24)18(14)19;/h3-4,6-7,10-11H,5,8-9,22H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN)OC.Cl	IQFQLZVJPMXAQB-UHFFFAOYSA-N
DG65360	"6-(3-Aminopropyl)-9-fluoro-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	17755624	"NSC740564; NSC-740564; 6-(3-Aminopropyl)-9-fluoro-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740564	.	.	.	.	418.8	C21H20ClFN2O4	81.9	681	.	29	2	6	5	"InChI=1S/C21H19FN2O4.ClH/c1-27-16-9-13-15(10-17(16)28-2)21(26)24(7-3-6-23)19-12-5-4-11(22)8-14(12)20(25)18(13)19;/h4-5,8-10H,3,6-7,23H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)F)N(C2=O)CCCN)OC.Cl	RHCXFNZISKKIPX-UHFFFAOYSA-N
DG65361	"6-(3-Amino-propyl)-2,11-dioxo-5,11-dihydro-6H-indeno[1,2-c]isoquinoline-9-carboxylic acid methyl ester"	17755626	"NSC735010; NSC-735010; 6-(3-Amino-propyl)-2,11-dioxo-5,11-dihydro-6H- indeno[1,2-c]isoquinoline-9-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735010	.	.	.	.	458.9	C23H23ClN2O6	108	780	.	32	2	7	7	"InChI=1S/C23H22N2O6.ClH/c1-29-17-10-14-16(11-18(17)30-2)22(27)25(8-4-7-24)20-13-6-5-12(23(28)31-3)9-15(13)21(26)19(14)20;/h5-6,9-11H,4,7-8,24H2,1-3H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)C(=O)OC)N(C2=O)CCCN)OC.Cl	XTXIDQVCPFCENN-UHFFFAOYSA-N
DG65362	"6-(3-Amino-propyl)-2,11-dioxo-5,11-dihydro-6H-indeno[1,2-c]isoquinoline-9-carbonitrile Hydrochloride"	17755628	"NSC734796; NSC-734796; 6-(3-Amino-propyl)-2,11-dioxo-5,11-dihydro-6H- indeno[1,2-c]isoquinoline-9-carbonitrile Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734796	.	.	.	.	425.9	C22H20ClN3O4	106	769	.	30	2	6	5	"InChI=1S/C22H19N3O4.ClH/c1-28-17-9-14-16(10-18(17)29-2)22(27)25(7-3-6-23)20-13-5-4-12(11-24)8-15(13)21(26)19(14)20;/h4-5,8-10H,3,6-7,23H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)C#N)N(C2=O)CCCN)OC.Cl	XGCVXWLVDCSARU-UHFFFAOYSA-N
DG65363	"6-(3-Aminopropyl)-5,3-dimethoxy-9-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	17755630	"NSC740649; NSC-740649; 6-(3-Aminopropyl)-5,3-dimethoxy-9-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740649	.	.	.	.	445.9	C21H20ClN3O6	128	762	.	31	2	7	5	"InChI=1S/C21H19N3O6.ClH/c1-29-16-9-13-15(10-17(16)30-2)21(26)23(7-3-6-22)19-12-5-4-11(24(27)28)8-14(12)20(25)18(13)19;/h4-5,8-10H,3,6-7,22H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])N(C2=O)CCCN)OC.Cl	BTEDTMKQLBHEHP-UHFFFAOYSA-N
DG65364	"6-(3-Azidopropyl)-5,11-dioxo-11H-inden o[1,2-c]isoquinoline"	17755637	"CHEMBL242855; NSC736873; NSC-736873; 6-(3-Azidopropyl)-5,11-dioxo-11H-inden o[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736873	.	.	.	.	360.4	C20H16N4O3	61	712	3.6	27	0	5	5	"InChI=1S/C20H16N4O3/c1-27-12-7-8-14-16(11-12)19(25)17-13-5-2-3-6-15(13)20(26)24(18(14)17)10-4-9-22-23-21/h2-3,5-8,11H,4,9-10H2,1H3"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4C(=O)N3CCCN=[N+]=[N-]	QKLHJXNWYGPWJU-UHFFFAOYSA-N
DG65365	"6-(3-Iodopropyl)-9-methoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione"	17755638	CHEMBL241998; NSC740268; NSC-740268	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740268	.	.	.	.	490.2	C20H15IN2O5	92.4	718	3.6	28	0	5	4	"InChI=1S/C20H15IN2O5/c1-28-12-4-6-14-15(10-12)19(24)17-13-5-3-11(23(26)27)9-16(13)20(25)22(18(14)17)8-2-7-21/h3-6,9-10H,2,7-8H2,1H3"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCI	UUJPBZJHYIEZMS-UHFFFAOYSA-N
DG65366	"6-(3-Morpholin-4-ylpropyl)-3-nitroindeno[1,2-c]isoquinoline-5,11-dione;hydrochloride"	17755735	NSC740609; NSC-740609	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740609	.	.	.	.	455.9	C23H22ClN3O5	95.7	785	.	32	1	6	4	"InChI=1S/C23H21N3O5.ClH/c27-22-18-5-2-1-4-17(18)21-20(22)16-7-6-15(26(29)30)14-19(16)23(28)25(21)9-3-8-24-10-12-31-13-11-24;/h1-2,4-7,14H,3,8-13H2;1H"	C1COCCN1CCCN2C3=C(C4=C(C2=O)C=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C53.Cl	XPGCQLBJOWMPAO-UHFFFAOYSA-N
DG65367	"9-Methoxy-6-(3-morpholin-4-ylpropyl)-3-nitroindeno[1,2-c]isoquinoline-5,11-dione;hydrochloride"	17755737	NSC740505; NSC-740505	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740505	.	.	.	.	485.9	C24H24ClN3O6	105	833	.	34	1	7	5	"InChI=1S/C24H23N3O6.ClH/c1-32-16-4-6-18-19(14-16)23(28)21-17-5-3-15(27(30)31)13-20(17)24(29)26(22(18)21)8-2-7-25-9-11-33-12-10-25;/h3-6,13-14H,2,7-12H2,1H3;1H"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN5CCOCC5.Cl	OGCVCYXSNQNGPK-UHFFFAOYSA-N
DG65368	"6-[3-(2-Hydroxyethylamino)propyl]-3-nitroindeno[1,2-c]isoquinoline-5,11-dione;hydrochloride"	17755739	NSC740504; NSC-740504	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740504	.	.	.	.	429.9	C21H20ClN3O5	116	716	.	30	3	6	6	"InChI=1S/C21H19N3O5.ClH/c25-11-9-22-8-3-10-23-19-15-4-1-2-5-16(15)20(26)18(19)14-7-6-13(24(28)29)12-17(14)21(23)27;/h1-2,4-7,12,22,25H,3,8-11H2;1H"	C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCNCCO.Cl	IYWXVRZSIDJINY-UHFFFAOYSA-N
DG65369	"6-[3-(2-Hydroxyethylamino)propyl]-9-methoxyindeno[1,2-c]isoquinoline-5,11-dione;hydrochloride"	17755741	NSC740650; NSC-740650	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740650	.	.	.	.	414.9	C22H23ClN2O4	78.9	646	.	29	3	5	7	"InChI=1S/C22H22N2O4.ClH/c1-28-14-7-8-16-18(13-14)21(26)19-15-5-2-3-6-17(15)22(27)24(20(16)19)11-4-9-23-10-12-25;/h2-3,5-8,13,23,25H,4,9-12H2,1H3;1H"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4C(=O)N3CCCNCCO.Cl	KCBBYYCZXUKTBM-UHFFFAOYSA-N
DG65370	"6-[3-(Dimethylamino)propyl]-9-methoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione;hydrochloride"	17755743	NSC740521; NSC-740521	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740521	.	.	.	.	443.9	C22H22ClN3O5	95.7	758	.	31	1	6	5	"InChI=1S/C22H21N3O5.ClH/c1-23(2)9-4-10-24-20-16-8-6-14(30-3)12-17(16)21(26)19(20)15-7-5-13(25(28)29)11-18(15)22(24)27;/h5-8,11-12H,4,9-10H2,1-3H3;1H"	CN(C)CCCN1C2=C(C3=C(C1=O)C=C(C=C3)[N+](=O)[O-])C(=O)C4=C2C=CC(=C4)OC.Cl	CRAFOOBIZFOZPT-UHFFFAOYSA-N
DG65371	"6-(3-Imidazol-1-ylpropyl)-9-methoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione"	17755745	CHEMBL390010; NSC740507; NSC-740507	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740507	.	.	.	.	430.4	C23H18N4O5	110	824	2.3	32	0	6	5	"InChI=1S/C23H18N4O5/c1-32-15-4-6-17-18(12-15)22(28)20-16-5-3-14(27(30)31)11-19(16)23(29)26(21(17)20)9-2-8-25-10-7-24-13-25/h3-7,10-13H,2,8-9H2,1H3"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN5C=CN=C5	MDJMFHZWTHWWJV-UHFFFAOYSA-N
DG65372	"6-(3-Bromopropyl)-9-ethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	17755846	"CHEMBL395302; NSC740644; NSC-740644; 6-(3-Bromopropyl)-9-ethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740644	.	.	.	.	457.3	C21H17BrN2O5	92.4	733	3.7	29	0	5	5	"InChI=1S/C21H17BrN2O5/c1-2-29-13-5-7-15-16(11-13)20(25)18-14-6-4-12(24(27)28)10-17(14)21(26)23(19(15)18)9-3-8-22/h4-7,10-11H,2-3,8-9H2,1H3"	CCOC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr	ABVKNJFRUQGYPY-UHFFFAOYSA-N
DG65373	"6-(3-Bromopropyl)-5,11-dioxo-9-thiomethyl-11H-indeno[1,2-c]isoquinoline"	17755847	"CHEMBL442969; NSC736200; NSC-736200; 6-(3-Bromopropyl)-5,11-dioxo-9-thiomethyl -11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736200	.	.	.	.	459.3	C20H15BrN2O4S	109	722	3.8	28	0	5	4	"InChI=1S/C20H15BrN2O4S/c1-28-12-4-6-14-15(10-12)19(24)17-13-5-3-11(23(26)27)9-16(13)20(25)22(18(14)17)8-2-7-21/h3-6,9-10H,2,7-8H2,1H3"	CSC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr	AJJKUSXYIMDOBG-UHFFFAOYSA-N
DG65374	"6-(3-Chloropropyl)-5,11-dioxo-3-nitro-11H-indeno [1,2-c]isoquinoline"	17755848	"CHEMBL121007; SCHEMBL13924030; NSC731154; NSC-731154; 6-(3-Chloropropyl)-5,11-dioxo-3-nitro-11H-indeno [1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731154	.	.	.	.	368.8	C19H13ClN2O4	83.2	671	3.2	26	0	4	3	"InChI=1S/C19H13ClN2O4/c20-8-3-9-21-17-13-4-1-2-5-14(13)18(23)16(17)12-7-6-11(22(25)26)10-15(12)19(21)24/h1-2,4-7,10H,3,8-9H2"	C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCCl	QTEJRWOMCQIKFH-UHFFFAOYSA-N
DG65375	"6-(3-Bromopropyl)-9-chloro-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline"	17755849	"CHEMBL438107; NSC736198; NSC-736198; 6-(3-Bromopropyl)-9-chloro-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736198	.	.	.	.	447.7	C19H12BrClN2O4	83.2	706	4	27	0	4	3	"InChI=1S/C19H12BrClN2O4/c20-6-1-7-22-17-13-4-2-10(21)8-14(13)18(24)16(17)12-5-3-11(23(26)27)9-15(12)19(22)25/h2-5,8-9H,1,6-7H2"	C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)Cl)CCCBr	SBUGLDCVZLGRMA-UHFFFAOYSA-N
DG65376	"Methyl 6-(3-chloropropyl)-3-nitro-5,11-dioxoindeno[1,2-c]isoquinoline-9-carboxylate"	17755850	CHEMBL387828; NSC740972; NSC-740972	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740972	.	.	.	.	426.8	C21H15ClN2O6	110	806	3	30	0	6	5	"InChI=1S/C21H15ClN2O6/c1-30-21(27)11-3-5-14-15(9-11)19(25)17-13-6-4-12(24(28)29)10-16(13)20(26)23(18(14)17)8-2-7-22/h3-6,9-10H,2,7-8H2,1H3"	COC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCCl	XVKYVWWGTBOVEM-UHFFFAOYSA-N
DG65377	"6-(3-Imidazol-1-ylpropyl)-9-methoxyindeno[1,2-c]isoquinoline-5,11-dione"	17755851	CHEMBL244978; NSC740648; NSC-740648	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740648	.	.	.	.	385.4	C23H19N3O3	64.4	706	2.4	29	0	4	5	"InChI=1S/C23H19N3O3/c1-29-15-7-8-17-19(13-15)22(27)20-16-5-2-3-6-18(16)23(28)26(21(17)20)11-4-10-25-12-9-24-14-25/h2-3,5-9,12-14H,4,10-11H2,1H3"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4C(=O)N3CCCN5C=CN=C5	OKCJDJQBTRWAIM-UHFFFAOYSA-N
DG65378	"6-(3-Bromopropyl)-5,6-dihydro-5,11-dioxo-3-nitro-11H-indeno[1,2-c]isoquinoline"	17755853	"CHEMBL333971; SCHEMBL1308414; NSC730451; NSC-730451; 6-(3-Bromopropyl)-5,11-dioxo-3-nitro-11H-indeno[ 1,2-c]isoquinoline; 6-(3-Bromopropyl)-5,6-dihydro-5,11-dioxo-3-nitro-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730451	.	.	.	.	413.2	C19H13BrN2O4	83.2	671	3.3	26	0	4	3	"InChI=1S/C19H13BrN2O4/c20-8-3-9-21-17-13-4-1-2-5-14(13)18(23)16(17)12-7-6-11(22(25)26)10-15(12)19(21)24/h1-2,4-7,10H,3,8-9H2"	C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr	FITHFPHFIGGTGK-UHFFFAOYSA-N
DG65379	"6-(3-Aminopropyl)-5,11-dioxo-11H-inden o[1,2-c]isoquinoline Hydrochloride"	17755854	"NSC736988; NSC-736988; 6-(3-Aminopropyl)-5,11-dioxo-11H-inden o[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736988	.	.	.	.	370.8	C20H19ClN2O3	72.6	600	.	26	2	4	4	"InChI=1S/C20H18N2O3.ClH/c1-25-12-7-8-14-16(11-12)19(23)17-13-5-2-3-6-15(13)20(24)22(18(14)17)10-4-9-21;/h2-3,5-8,11H,4,9-10,21H2,1H3;1H"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4C(=O)N3CCCN.Cl	QTQXPPPSCGWDHW-UHFFFAOYSA-N
DG65380	"9-Methoxy-6-(3-morpholin-4-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride"	17755858	NSC740646; NSC-740646	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740646	.	.	.	.	440.9	C24H25ClN2O4	59.1	714	.	31	1	5	5	"InChI=1S/C24H24N2O4.ClH/c1-29-16-7-8-18-20(15-16)23(27)21-17-5-2-3-6-19(17)24(28)26(22(18)21)10-4-9-25-11-13-30-14-12-25;/h2-3,5-8,15H,4,9-14H2,1H3;1H"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4C(=O)N3CCCN5CCOCC5.Cl	UPUOWNCVODXIQM-UHFFFAOYSA-N
DG65381	"9-(Benzyloxycarbonyloxymethyl)-6-(3-bromopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	17755968	"CHEMBL395749; NSC737345; NSC-737345; 9-(Benzyloxycarbonyloxymethyl)-6-(3-bromopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737345	.	.	.	.	501.3	C22H17BrN2O7	119	839	3.4	32	0	7	7	"InChI=1S/C22H17BrN2O7/c1-31-22(28)32-11-12-3-5-15-16(9-12)20(26)18-14-6-4-13(25(29)30)10-17(14)21(27)24(19(15)18)8-2-7-23/h3-6,9-10H,2,7-8,11H2,1H3"	COC(=O)OCC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr	SJQJMQBUXDMDLU-UHFFFAOYSA-N
DG65382	"6-(3-Bromopropyl)-5,11-dioxo-9-sulfonylm ethyl-11H-indeno[1,2-c]isoquinoline"	17755969	"CHEMBL244980; NSC736681; NSC-736681; 6-(3-Bromopropyl)-5,11-dioxo-9-sulfonylm ethyl-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736681	.	.	.	.	491.3	C20H15BrN2O6S	126	905	2.6	30	0	6	4	"InChI=1S/C20H15BrN2O6S/c1-30(28,29)12-4-6-14-15(10-12)19(24)17-13-5-3-11(23(26)27)9-16(13)20(25)22(18(14)17)8-2-7-21/h3-6,9-10H,2,7-8H2,1H3"	CS(=O)(=O)C1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr	NDMSKMPNYLLAMP-UHFFFAOYSA-N
DG65383	"6-(3-Azidopropyl)-5,11-dioxo-9-phenyl-11 H-indeno[1,2-c]isoquinoline"	17755971	"CHEMBL245202; NSC737668; NSC-737668; 6-(3-Azidopropyl)-5,11-dioxo-9-phenyl-11 H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737668	.	.	.	.	451.4	C25H17N5O4	97.6	930	5.1	34	0	6	5	"InChI=1S/C25H17N5O4/c26-28-27-11-4-12-29-23-19-9-7-16(15-5-2-1-3-6-15)13-20(19)24(31)22(23)18-10-8-17(30(33)34)14-21(18)25(29)32/h1-3,5-10,13-14H,4,11-12H2"	C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCN=[N+]=[N-]	MQDHUCKFWIVZQT-UHFFFAOYSA-N
DG65384	"6-(3-Azidopropyl)-9-fluoro-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline"	17755972	"CHEMBL395537; NSC736201; NSC-736201; 6-(3-Azidopropyl)-9-fluoro-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736201	.	.	.	.	393.3	C19H12FN5O4	97.6	818	3.6	29	0	7	4	"InChI=1S/C19H12FN5O4/c20-10-2-4-13-14(8-10)18(26)16-12-5-3-11(25(28)29)9-15(12)19(27)24(17(13)16)7-1-6-22-23-21/h2-5,8-9H,1,6-7H2"	C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)F)CCCN=[N+]=[N-]	LQGLOUDGFFIQNH-UHFFFAOYSA-N
DG65385	"6-(3-Azidopropyl)-9-bromo-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	17755973	"CHEMBL241978; NSC734289; NSC-734289; 6-(3-Azidopropyl)-9-bromo-5,11-dioxo-11H -indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734289	.	.	.	.	454.2	C19H12BrN5O4	97.6	818	4.2	29	0	6	4	"InChI=1S/C19H12BrN5O4/c20-10-2-4-13-14(8-10)18(26)16-12-5-3-11(25(28)29)9-15(12)19(27)24(17(13)16)7-1-6-22-23-21/h2-5,8-9H,1,6-7H2"	C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)Br)CCCN=[N+]=[N-]	QKWFJZQRLCJDSG-UHFFFAOYSA-N
DG65386	"6-[3-(2-Hydroxyethylamino)propyl]-9-methoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione;hydrochloride"	17755974	NSC740277; NSC-740277	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740277	.	.	.	.	459.9	C22H22ClN3O6	125	763	.	32	3	7	7	"InChI=1S/C22H21N3O6.ClH/c1-31-14-4-6-16-17(12-14)21(27)19-15-5-3-13(25(29)30)11-18(15)22(28)24(20(16)19)9-2-7-23-8-10-26;/h3-6,11-12,23,26H,2,7-10H2,1H3;1H"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCNCCO.Cl	HTVOCSHHHZRNSZ-UHFFFAOYSA-N
DG65387	"5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloide"	17755976	"NSC740276; NSC-740276; 5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740276	.	.	.	.	384.9	C21H21ClN2O3	69.6	600	.	27	3	4	6	"InChI=1S/C21H20N2O3.ClH/c24-13-11-22-10-5-12-23-19-15-7-2-3-8-16(15)20(25)18(19)14-6-1-4-9-17(14)21(23)26;/h1-4,6-9,22,24H,5,10-13H2;1H"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCO.Cl	CHZGUGHKQTVQTD-UHFFFAOYSA-N
DG65388	"6-[3-(Dimethylamino)propyl]-9-methoxyindeno[1,2-c]isoquinoline-5,11-dione;hydrochloride"	17755977	NSC740647; NSC-740647	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740647	.	.	.	.	398.9	C22H23ClN2O3	49.8	642	.	28	1	4	5	"InChI=1S/C22H22N2O3.ClH/c1-23(2)11-6-12-24-20-16-10-9-14(27-3)13-18(16)21(25)19(20)15-7-4-5-8-17(15)22(24)26;/h4-5,7-10,13H,6,11-12H2,1-3H3;1H"	CN(C)CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=C2C=CC(=C4)OC.Cl	PELUBCPNADFUQS-UHFFFAOYSA-N
DG65389	"Methyl 6-(3-azidopropyl)-3-nitro-5,11-dioxoindeno[1,2-c]isoquinoline-9-carboxylate"	17756080	CHEMBL437947; NSC740973; NSC-740973	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740973	.	.	.	.	433.4	C21H15N5O6	124	920	3.3	32	0	8	6	"InChI=1S/C21H15N5O6/c1-32-21(29)11-3-5-14-15(9-11)19(27)17-13-6-4-12(26(30)31)10-16(13)20(28)25(18(14)17)8-2-7-23-24-22/h3-6,9-10H,2,7-8H2,1H3"	COC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-]	KSOXIPMQOVYYLL-UHFFFAOYSA-N
DG65390	"6-(3-Aminopropyl)-5,11-dioxo-9-thiomethy l-11H-indeno[1,2-c]isoquinoline Hydrochloride"	17756083	"NSC736680; NSC-736680; 6-(3-Aminopropyl)-5,11-dioxo-9-thiomethy l-11H-indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736680	.	.	.	.	431.9	C20H18ClN3O4S	135	719	.	29	2	6	4	"InChI=1S/C20H17N3O4S.ClH/c1-28-12-4-6-14-15(10-12)19(24)17-13-5-3-11(23(26)27)9-16(13)20(25)22(18(14)17)8-2-7-21;/h3-6,9-10H,2,7-8,21H2,1H3;1H"	CSC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl	OJMHNCMPKJEMAQ-UHFFFAOYSA-N
DG65391	"6-(3-Aminopropyl)-5,11-dioxo-3-nitro-11H-indeno[1,2-c]isoquinoline Hydrochloride salt"	17756085	"CHEMBL558016; NSC731155; NSC-731155; 6-(3-Aminopropyl)-5,11-dioxo-3-nitro-11H-indeno[ 1,2-c]isoquinoline Hydrochloride salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731155	.	.	.	.	385.8	C19H16ClN3O4	109	668	.	27	2	5	3	"InChI=1S/C19H15N3O4.ClH/c20-8-3-9-21-17-13-4-1-2-5-14(13)18(23)16(17)12-7-6-11(22(25)26)10-15(12)19(21)24;/h1-2,4-7,10H,3,8-9,20H2;1H"	C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl	PIDKEDFMLRLYDS-UHFFFAOYSA-N
DG65392	"6-(3-Aminopropyl)-9-chloro-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline Hydrochloride"	17756087	"NSC736494; NSC-736494; 6-(3-Aminopropyl)-9-chloro-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736494	.	.	.	.	420.2	C19H15Cl2N3O4	109	704	.	28	2	5	3	"InChI=1S/C19H14ClN3O4.ClH/c20-10-2-4-13-14(8-10)18(24)16-12-5-3-11(23(26)27)9-15(12)19(25)22(17(13)16)7-1-6-21;/h2-5,8-9H,1,6-7,21H2;1H"	C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)Cl)CCCN.Cl	XTKGQTSHYLAVAZ-UHFFFAOYSA-N
DG65393	"6-(3-Aminopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	17756089	"NSC741106; NSC-741106; 6-(3-Aminopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741106	.	.	.	.	443.8	C21H18ClN3O6	136	803	.	31	2	7	5	"InChI=1S/C21H17N3O6.ClH/c1-30-21(27)11-3-5-14-15(9-11)19(25)17-13-6-4-12(24(28)29)10-16(13)20(26)23(18(14)17)8-2-7-22;/h3-6,9-10H,2,7-8,22H2,1H3;1H"	COC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl	NQWBFTIDOATMLE-UHFFFAOYSA-N
DG65394	"6-(3-Chloropropyl)-5,3,9-trimethoxy-5,11-dioxo-1 1H-indeno[1,2-c]isoquinoline"	17756199	"CHEMBL242216; NSC737318; NSC-737318; 6-(3-Chloropropyl)-5,3,9-trimethoxy-5,11-dioxo-1 1H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737318	.	.	.	.	413.8	C22H20ClNO5	65.099	695	3.2	29	0	5	6	"InChI=1S/C22H20ClNO5/c1-27-12-5-6-13-15(9-12)21(25)19-14-10-17(28-2)18(29-3)11-16(14)22(26)24(20(13)19)8-4-7-23/h5-6,9-11H,4,7-8H2,1-3H3"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCCl)OC)OC	ADWFGEGXOSXQPU-UHFFFAOYSA-N
DG65395	"6-(3-Bromopropyl)-9-fluoro-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	17756300	"CHEMBL397262; NSC740520; NSC-740520; 6-(3-Bromopropyl)-9-fluoro-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740520	.	.	.	.	446.3	C21H17BrFNO4	55.8	683	3.5	28	0	5	5	"InChI=1S/C21H17BrFNO4/c1-27-16-9-13-15(10-17(16)28-2)21(26)24(7-3-6-22)19-12-5-4-11(23)8-14(12)20(25)18(13)19/h4-5,8-10H,3,6-7H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)F)N(C2=O)CCCBr)OC	YUACRRHCSGGWGA-UHFFFAOYSA-N
DG65396	"6-(3-Bromopropyl)-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline"	17756502	"CHEMBL242188; NSC736005; NSC-736005; 6-(3-Bromopropyl)-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736005	.	.	.	.	427.2	C20H15BrN2O4	83.2	701	3.7	27	0	4	3	"InChI=1S/C20H15BrN2O4/c1-11-3-5-14-15(9-11)19(24)17-13-6-4-12(23(26)27)10-16(13)20(25)22(18(14)17)8-2-7-21/h3-6,9-10H,2,7-8H2,1H3"	CC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr	LMJUNGCSONHLOB-UHFFFAOYSA-N
DG65397	"6-(3-Bromopropyl)-9-fluoro-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline"	17756504	"CHEMBL244343; NSC734799; NSC-734799; 6-(3-Bromopropyl)-9-fluoro-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734799	.	.	.	.	431.2	C19H12BrFN2O4	83.2	706	3.4	27	0	5	3	"InChI=1S/C19H12BrFN2O4/c20-6-1-7-22-17-13-4-2-10(21)8-14(13)18(24)16(17)12-5-3-11(23(26)27)9-15(12)19(22)25/h2-5,8-9H,1,6-7H2"	C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)F)CCCBr	ZWWTYVZYDXXIBG-UHFFFAOYSA-N
DG65398	"9-Bromo-6-(3-chloropropyl)-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline"	17756600	"CHEMBL244344; NSC734294; NSC-734294; 9-Bromo-6-(3-chloropropyl)-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734294	.	.	.	.	447.7	C19H12BrClN2O4	83.2	706	3.9	27	0	4	3	"InChI=1S/C19H12BrClN2O4/c20-10-2-4-13-14(8-10)18(24)16-12-5-3-11(23(26)27)9-15(12)19(25)22(17(13)16)7-1-6-21/h2-5,8-9H,1,6-7H2"	C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)Br)CCCCl	IPMGWDXKIJNYRU-UHFFFAOYSA-N
DG65399	"6-(3-Chloropropyl)-9-cyano-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	17756602	"CHEMBL244763; NSC740975; NSC-740975; 6-(3-Chloropropyl)-9-cyano-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740975	.	.	.	.	393.8	C20H12ClN3O4	107	795	2.9	28	0	5	3	"InChI=1S/C20H12ClN3O4/c21-6-1-7-23-18-14-4-2-11(10-22)8-15(14)19(25)17(18)13-5-3-12(24(27)28)9-16(13)20(23)26/h2-5,8-9H,1,6-7H2"	C1=CC2=C(C=C1C#N)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCCl	VJIWBTFNKPNLEQ-UHFFFAOYSA-N
DG65400	"6-(3-Azidopropyl)-9-ethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	17756604	"CHEMBL244981; NSC740643; NSC-740643; 6-(3-Azidopropyl)-9-ethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740643	.	.	.	.	419.4	C21H17N5O5	107	846	3.8	31	0	7	6	"InChI=1S/C21H17N5O5/c1-2-31-13-5-7-15-16(11-13)20(27)18-14-6-4-12(26(29)30)10-17(14)21(28)25(19(15)18)9-3-8-23-24-22/h4-7,10-11H,2-3,8-9H2,1H3"	CCOC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-]	UZELVQXOBSGOKP-UHFFFAOYSA-N
DG65401	"6-(3-Azidopropyl)-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline"	17756605	"CHEMBL244982; NSC736115; NSC-736115; 6-(3-Azidopropyl)-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736115	.	.	.	.	389.4	C20H15N5O4	97.6	812	3.8	29	0	6	4	"InChI=1S/C20H15N5O4/c1-11-3-5-14-15(9-11)19(26)17-13-6-4-12(25(28)29)10-16(13)20(27)24(18(14)17)8-2-7-22-23-21/h3-6,9-10H,2,7-8H2,1H3"	CC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-]	RIWGJOJRKFJJKH-UHFFFAOYSA-N
DG65402	1-Allyl-2-[4-chloro-5-(4-chlorophenylcarbamoyl)-2-methylthio benzenesulfonyl]-3-(5-nitro-2-furfulienimino)guanidine	17756726	NSC728512; NSC-728512; 1-Allyl-2-[4-chloro-5-(4-chlorophenylcarbamoyl)-2-methylthio benzenesulfonyl]-3-(5-nitro-2-furfulienimino)guanidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728512	.	.	.	.	611.5	C23H20Cl2N6O6S2	205	1030	5.2	39	3	9	11	"InChI=1S/C23H20Cl2N6O6S2/c1-3-10-26-23(29-27-13-16-8-9-21(37-16)31(33)34)30-39(35,36)20-11-17(18(25)12-19(20)38-2)22(32)28-15-6-4-14(24)5-7-15/h3-9,11-13H,1,10H2,2H3,(H,28,32)(H2,26,29,30)/b27-13+"	CSC1=C(C=C(C(=C1)Cl)C(=O)NC2=CC=C(C=C2)Cl)S(=O)(=O)NC(=NCC=C)N/N=C/C3=CC=C(O3)[N+](=O)[O-]	VBTVERYCBSUONF-UVHMKAGCSA-N
DG65403	N-Phenyl-4-[1-(1-methylpiperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine-2-amine	17892742	CHEMBL318892; SB-236687; SCHEMBL6957344; HMS3303O08; HMS3305L20; BDBM50105746; NSC756422; NSC-756422; NCGC00241997-01; AB01092388-01; {4-[5-(4-Fluoro-phenyl)-3-(1-methyl-piperidin-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-yl}-phenyl-amine; N-Phenyl-4-[1-(1-methylpiperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756422	.	.	.	.	428.5	C25H25FN6	58.9	571	4.1	32	1	6	5	"InChI=1S/C25H25FN6/c1-31-15-12-21(13-16-31)32-17-28-23(18-7-9-19(26)10-8-18)24(32)22-11-14-27-25(30-22)29-20-5-3-2-4-6-20/h2-11,14,17,21H,12-13,15-16H2,1H3,(H,27,29,30)"	CN1CCC(CC1)N2C=NC(=C2C3=NC(=NC=C3)NC4=CC=CC=C4)C5=CC=C(C=C5)F	DOJXCIZDAFPMQV-UHFFFAOYSA-N
DG65404	(E)-N-[4-(1-benzoylpiperidine-4-yl)butyl]-3-(pyridin-3-yl)acrylamide	18425712	NSC751605; NSC-751605; (E)-N-[4-(1-benzoylpiperidine-4-yl)butyl]-3-(pyridin-3-yl)acrylamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751605	.	.	.	.	391.5	C24H29N3O2	62.3	542	3.5	29	1	3	8	"InChI=1S/C24H29N3O2/c28-23(14-13-20-9-6-15-25-18-20)26-16-5-4-8-21-10-7-17-27(19-21)24(29)22-11-2-1-3-12-22/h1-3,6,9,11-15,18,21H,4-5,7-8,10,16-17,19H2,(H,26,28)/b14-13+"	C1CC(CN(C1)C(=O)C2=CC=CC=C2)CCCCNC(=O)/C=C/C3=CN=CC=C3	BMDQNDLEOMSJTJ-BUHFOSPRSA-N
DG65405	2-[3-(2-Chloro-4-fluoro-phenylsulfanyl)-3-(4-chloro-phenyl)-allylidene]-malononitrile	18526618	ZINC5569155; NSC727948; AKOS024351113; NSC-727948; 2-[3-(2-Chloro-4-fluoro-phenylsulfanyl)-3-(4-chloro-phenyl)- allylidene]-malononitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727948	.	.	.	.	375.2	C18H9Cl2FN2S	72.9	575	5.9	24	0	4	4	InChI=1S/C18H9Cl2FN2S/c19-14-4-2-13(3-5-14)17(7-1-12(10-22)11-23)24-18-8-6-15(21)9-16(18)20/h1-9H/b17-7-	C1=CC(=CC=C1/C(=C/C=C(C#N)C#N)/SC2=C(C=C(C=C2)F)Cl)Cl	IPOZZDWMWVRBCD-IDUWFGFVSA-N
DG65406	2-[3-(3-Chloro-4-fluoro-phenylsulfanyl)-3-(4-chloro-phenyl)-allylidene]-malononitrile	18527565	ZINC2572979; NSC735431; AKOS024356282; NSC-735431; 2-[3-(3-Chloro-4-fluoro-phenylsulfanyl)-3-(4-chloro-phenyl)- allylidene]-malononitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735431	.	.	.	.	375.2	C18H9Cl2FN2S	72.9	575	5.9	24	0	4	4	InChI=1S/C18H9Cl2FN2S/c19-14-4-2-13(3-5-14)18(8-1-12(10-22)11-23)24-15-6-7-17(21)16(20)9-15/h1-9H/b18-8-	C1=CC(=CC=C1/C(=C/C=C(C#N)C#N)/SC2=CC(=C(C=C2)F)Cl)Cl	ZZBHKVIOLKCSRC-LSCVHKIXSA-N
DG65407	2-[3-Benzothiazol-2-ylsulfanyl)-3-p-tolyl-allylidene]-malono nitrile	18530973	ZINC1038985; NSC727947; AKOS024374760; NSC-727947; 2-[3-Benzothiazol-2-ylsulfanyl)-3-p-tolyl-allylidene]-malono nitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727947	.	.	.	.	359.5	C20H13N3S2	114	610	5.7	25	0	5	4	"InChI=1S/C20H13N3S2/c1-14-6-9-16(10-7-14)18(11-8-15(12-21)13-22)24-20-23-17-4-2-3-5-19(17)25-20/h2-11H,1H3/b18-11-"	CC1=CC=C(C=C1)/C(=C/C=C(C#N)C#N)/SC2=NC3=CC=CC=C3S2	OLTJFLPYMRERFI-WQRHYEAKSA-N
DG65408	2-(4-tert-Butylphenoxy)-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine	18536613	CHEMBL275200; SB-278538; SCHEMBL6949284; HMS3303M21; HMS3305N14; BDBM50099340; NSC756437; NSC-756437; NCGC00242183-01; AB01092371-01; 2-(4-tert-Butylphenoxy)-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine; 2-(4-tert-Butyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756437	.	.	.	.	471.6	C28H30FN5O	64.9	652	5.3	35	1	6	6	"InChI=1S/C28H30FN5O/c1-28(2,3)20-6-10-23(11-7-20)35-27-31-17-14-24(33-27)26-25(19-4-8-21(29)9-5-19)32-18-34(26)22-12-15-30-16-13-22/h4-11,14,17-18,22,30H,12-13,15-16H2,1-3H3"	CC(C)(C)C1=CC=C(C=C1)OC2=NC=CC(=N2)C3=C(N=CN3C4CCNCC4)C5=CC=C(C=C5)F	ILMZGRFZRBXPAP-UHFFFAOYSA-N
DG65409	"N4,N4-diisobutyl-6-methyl-4-quinazolinamine diisobutyl(6-methyl-4-quinazolinyl)amine hydrochloride"	18558695	"NSC727846; AKOS016395472; MCULE-2437772402; NSC-727846; SR-01000482478; SR-01000482478-1; N4,N4-diisobutyl-6-methyl-4-quinazolinamine diisobutyl(6-methyl-4-quinazolinyl)amine hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727846	.	.	.	.	307.9	C17H26ClN3	29	280	.	21	1	3	5	"InChI=1S/C17H25N3.ClH/c1-12(2)9-20(10-13(3)4)17-15-8-14(5)6-7-16(15)18-11-19-17;/h6-8,11-13H,9-10H2,1-5H3;1H"	CC1=CC2=C(C=C1)N=CN=C2N(CC(C)C)CC(C)C.Cl	HCIQMRMHTMEDMQ-UHFFFAOYSA-N
DG65410	"3-{[5-(4-Methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}phenol hydrochloride"	18590612	"3-{[5-(4-Methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}phenol hydrochloride; MFCD03619289; NSC732807; AKOS015947967; MCULE-9823548722; NSC-732807; hydrochloride 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-ylamino]phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732807	.	.	.	.	369.9	C19H16ClN3OS	86.3	415	.	25	3	5	3	"InChI=1S/C19H15N3OS.ClH/c1-12-5-7-13(8-6-12)16-10-24-19-17(16)18(20-11-21-19)22-14-3-2-4-15(23)9-14;/h2-11,23H,1H3,(H,20,21,22);1H"	CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=CC=C4)O.Cl	BQODDQILXCOHCH-UHFFFAOYSA-N
DG65411	"N4,4-dichlorophenyl)-4-quinazolinamine 2-(2,4-dichlorophenyl)-4-quinazolinyl(diethyl)amine hydrochloride"	18593627	"NSC727967; AKOS005170253; MCULE-3288735563; NSC-727967; N4,4-dichlorophenyl)-4-quinazolinamine 2-(2,4-dichlorophenyl)-4-quinazolinyl(diethyl)amine hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727967	.	.	.	.	382.7	C18H18Cl3N3	29	377	.	24	1	3	4	"InChI=1S/C18H17Cl2N3.ClH/c1-3-23(4-2)18-14-7-5-6-8-16(14)21-17(22-18)13-10-9-12(19)11-15(13)20;/h5-11H,3-4H2,1-2H3;1H"	CCN(CC)C1=NC(=NC2=CC=CC=C21)C3=C(C=C(C=C3)Cl)Cl.Cl	CWTDGLBSTBSLGG-UHFFFAOYSA-N
DG65412	Dodecyldimethylsulfonium iodide	19021065	"18412-81-2; DODECYLDIMETHYLSULFONIUM IODIDE; dodecyl(dimethyl)sulfanium;iodide; Dodecyl(dimethyl)sulfanium iodide; Sulfonium, dodecyldimethyl-, iodide; SCHEMBL3841593; CHEMBL2003446; DTXSID50597455; NSC72055; NSC-72055"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72055	.	.	.	.	358.37	C14H31IS	1	110	.	16	0	1	11	"InChI=1S/C14H31S.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;/h4-14H2,1-3H3;1H/q+1;/p-1"	CCCCCCCCCCCC[S+](C)C.[I-]	CWMLLWRTIPJOKV-UHFFFAOYSA-M
DG65413	"(2E)-1-(2,4-Dichlorophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one"	19562945	"1177972-08-5; (2E)-1-(2,4-Dichlorophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one; ZINC6897888; MFCD04687527; NSC730590; NSC-730590; (E)-1-(2,4-dichlorophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730590	.	.	.	.	307.2	C16H12Cl2O2	26.3	356	4.9	20	0	2	4	"InChI=1S/C16H12Cl2O2/c1-20-13-4-2-3-11(9-13)5-8-16(19)14-7-6-12(17)10-15(14)18/h2-10H,1H3/b8-5+"	COC1=CC=CC(=C1)/C=C/C(=O)C2=C(C=C(C=C2)Cl)Cl	GQMNYPOMIRUVCM-VMPITWQZSA-N
DG65414	"9-Chloronaphtho[1',2':4,5]imidazo[1,2-a]pyridine-5,6-dione"	19610848	"110178-30-8; SCHEMBL8468193; CHEMBL3765372; DTXSID10599071; NSC742544; NSC-742544; 9-Chloronaphtho[1',2':4,5]imidazo[1,2-a]pyridine-5,6-dione; Naphth[1',5]imidazo[1,2-a]pyridine-5,6-dione, 9-chloro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742544	.	.	.	.	282.68	C15H7ClN2O2	51.4	455	3.5	20	0	3	0	InChI=1S/C15H7ClN2O2/c16-8-5-6-11-17-12-9-3-1-2-4-10(9)14(19)15(20)13(12)18(11)7-8/h1-7H	C1=CC=C2C(=C1)C3=C(C(=O)C2=O)N4C=C(C=CC4=N3)Cl	VZYGUWNBWRRBMX-UHFFFAOYSA-N
DG65415	4-(1-methylpyrrol-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile	19656591	CHEMBL3410015; NSC735019; AKOS003815964; NSC-735019	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735019	.	.	.	.	275.3	C17H13N3O	57.8	546	1.7	21	1	2	2	"InChI=1S/C17H13N3O/c1-20-9-5-8-16(20)13-10-15(12-6-3-2-4-7-12)19-17(21)14(13)11-18/h2-10H,1H3,(H,19,21)"	CN1C=CC=C1C2=C(C(=O)NC(=C2)C3=CC=CC=C3)C#N	PVDBMSLQOOZNIO-UHFFFAOYSA-N
DG65416	"6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile"	19656600	CHEMBL2235177; NSC735021; AKOS003816062; NSC-735021	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735021	.	.	.	.	335.4	C19H17N3O3	76.3	646	1.7	25	1	4	4	"InChI=1S/C19H17N3O3/c1-22-8-4-5-16(22)13-10-15(21-19(23)14(13)11-20)12-6-7-17(24-2)18(9-12)25-3/h4-10H,1-3H3,(H,21,23)"	CN1C=CC=C1C2=C(C(=O)NC(=C2)C3=CC(=C(C=C3)OC)OC)C#N	BFQYRDFDFHLBLX-UHFFFAOYSA-N
DG65417	"(E)-3-(2,4-dichlorophenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one"	19824717	SCHEMBL9342443; SCHEMBL9342451; NSC734473; NSC-734473	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734473	.	.	.	.	323.2	C16H12Cl2OS	42.4	350	5.3	20	0	2	4	"InChI=1S/C16H12Cl2OS/c1-20-14-7-3-12(4-8-14)16(19)9-5-11-2-6-13(17)10-15(11)18/h2-10H,1H3/b9-5+"	CSC1=CC=C(C=C1)C(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl	HNKYXQXCZQBYNM-WEVVVXLNSA-N
DG65418	Dimethyldithiocarbamate sodium salt	19877808	"Dimethyldithiocarbamate sodium salt; sodium;dimethylcarbamodithioic acid; Dibam; Methyl namate; Thiostop N; Vulnopol NM; Alcobam NM; Dibam A; Wing Stop B; Sharstop 204; Brogdex 555; DMDK; SDDC; Sta-fresh 615; Aceto SDD 40; Steriseal liquid #40; Sodium dimethylaminecarbodithioate; Sodium dimethylaminocarbodithioate; N,N-Dimethyldithiocarbamate sodium salt; DIMETHYLDITHIOCARBAMIC ACID, SODIUM SALT; MSL; NCI-C02835; NSC85566; NSC-85566; WLN: SUYSHN1 & 1 &-NA-; Carbamic acid, dimethyldithio- sodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85566	.	.	.	.	144.22	C3H7NNaS2+	36.3	59.8	.	7	1	2	0	"InChI=1S/C3H7NS2.Na/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1"	CN(C)C(=S)S.[Na+]	VMSRVIHUFHQIAL-UHFFFAOYSA-N
DG65419	"Benzo[b]quinolizinium, 6-methyl-bromide"	19921723	"SCHEMBL9228113; CHEMBL1967582; NSC77809; 6-methylbenzo[b]quinolizinium bromide; NSC-77809; Benzo[b]quinolizinium, 6-methyl- bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	77809	.	.	.	.	274.15	C14H12BrN	4.1	225	.	16	0	1	0	"InChI=1S/C14H12N.BrH/c1-11-14-8-3-2-6-12(14)10-13-7-4-5-9-15(11)13;/h2-10H,1H3;1H/q+1;/p-1"	CC1=[N+]2C=CC=CC2=CC3=CC=CC=C13.[Br-]	UGLNRXTUFNEJJL-UHFFFAOYSA-M
DG65420	Antacin	20071791	"28751-45-3; NSC-77541; Antacin; Indolag.potassium; Artrivia potassium salt; Inflazon potassium salt; Metindol potassium salt; Confortid potassium salt; Indoremed potassium salt; Indacin R potassium salt; Indomethacin, potassium salt; DTXSID50602134; PUBCHEM_20071791; NSC77541"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	77541	.	.	.	.	396.9	C19H16ClKNO4+	68.5	506	.	26	1	4	4	"InChI=1S/C19H16ClNO4.K/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12;/h3-9H,10H2,1-2H3,(H,22,23);/q;+1"	CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.[K+]	CTLBXOFGMSQAQY-UHFFFAOYSA-N
DG65421	"Naphtho[1, 10,13-dimethyl-chloride"	20245316	"SCHEMBL10910322; NSC78629; NSC-78629; Naphtho[1, 10,13-dimethyl- chloride; Naphtho[1, 10,13-dimethyl-, chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	78629	.	.	.	.	293.8	C19H16ClN	4.1	352	.	21	0	1	0	"InChI=1S/C19H16N.ClH/c1-13-7-10-18-14(2)19-16(12-20(18)11-13)9-8-15-5-3-4-6-17(15)19;/h3-12H,1-2H3;1H/q+1;/p-1"	CC1=C[N+]2=C(C=C1)C(=C3C(=C2)C=CC4=CC=CC=C43)C.[Cl-]	MAIGGFGOVPYCPM-UHFFFAOYSA-M
DG65422	"N-[6-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]hexyl]-1H-indole-2-carboxamide"	20826872	NSC726367; NSC-726367	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726367	.	.	.	.	488.6	C28H32N4O4	96	792	4	36	2	5	10	"InChI=1S/C28H32N4O4/c1-35-25-16-21-23(30-18-20-10-8-13-32(20)28(21)34)17-26(25)36-14-7-3-2-6-12-29-27(33)24-15-19-9-4-5-11-22(19)31-24/h4-5,9,11,15-18,20,31H,2-3,6-8,10,12-14H2,1H3,(H,29,33)"	COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCCNC(=O)C4=CC5=CC=CC=C5N4	UWGVFEIQEGDMFX-UHFFFAOYSA-N
DG65423	"N-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butyl]-1H-indole-2-carboxamide"	20826874	NSC726365; NSC-726365	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726365	.	.	.	.	460.5	C26H28N4O4	96	761	3.2	34	2	5	8	"InChI=1S/C26H28N4O4/c1-33-23-14-19-21(28-16-18-8-6-11-30(18)26(19)32)15-24(23)34-12-5-4-10-27-25(31)22-13-17-7-2-3-9-20(17)29-22/h2-3,7,9,13-16,18,29H,4-6,8,10-12H2,1H3,(H,27,31)"	COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCNC(=O)C4=CC5=CC=CC=C5N4	BQFHQEUKXWUMSR-UHFFFAOYSA-N
DG65424	"1-methyl-4-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium;iodide"	20832445	NSC186945; NSC-186945	.	.	Investigative Drug(s)	Investigative	Small molecular drug	186945	.	.	.	.	463.3	C21H22INO3	31.6	427	.	26	0	4	5	"InChI=1S/C21H22NO3.HI/c1-22-12-11-15(17-7-5-6-8-19(17)22)9-10-18-20(24-3)13-16(23-2)14-21(18)25-4;/h5-14H,1-4H3;1H/q+1;/p-1/b10-9+;"	C[N+]1=CC=C(C2=CC=CC=C21)/C=C/C3=C(C=C(C=C3OC)OC)OC.[I-]	PZJGTAYMFXHBRM-RRABGKBLSA-M
DG65425	"Isoquinolinium,4,6-trimethoxyphenyl)ethenyl]-, iodide"	20832450	"NSC236620; NSC-236620; Isoquinolinium,4,6-trimethoxyphenyl)ethenyl]-, iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	236620	.	.	.	.	463.3	C21H22INO3	31.6	427	.	26	0	4	5	"InChI=1S/C21H22NO3.HI/c1-22-12-11-15-7-5-6-8-17(15)19(22)10-9-18-20(24-3)13-16(23-2)14-21(18)25-4;/h5-14H,1-4H3;1H/q+1;/p-1/b10-9+;"	C[N+]1=C(C2=CC=CC=C2C=C1)/C=C/C3=C(C=C(C=C3OC)OC)OC.[I-]	LNYHJGVYJMZOJX-RRABGKBLSA-M
DG65426	"3-Pyridinecarboxamide, sodium salt"	20835846	"3-Pyridinecarboxamide, sodium salt; NSC-600292"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600292	.	.	.	.	189.13	C6H6N4NaO2+	97.4	184	.	13	2	5	2	"InChI=1S/C6H6N4O2.Na/c7-6(11)4-1-2-5(8-3-4)9-10-12;/h1-3H,(H2,7,11)(H,8,9,12);/q;+1"	C1=CC(=NC=C1C(=O)N)NN=O.[Na+]	MZEBKTIGHIILQX-UHFFFAOYSA-N
DG65427	Methyl-[2-methyl-2-(4-methylphenyl)propyl]-diphenylphosphanium;iodide	20835892	CHEMBL1975954; NSC176098; NSC-176098	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176098	.	.	.	.	474.4	C24H28IP	0	374	.	26	0	1	5	"InChI=1S/C24H28P.HI/c1-20-15-17-21(18-16-20)24(2,3)19-25(4,22-11-7-5-8-12-22)23-13-9-6-10-14-23;/h5-18H,19H2,1-4H3;1H/q+1;/p-1"	CC1=CC=C(C=C1)C(C)(C)C[P+](C)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]	LSGNRXUZNBYRAO-UHFFFAOYSA-M
DG65428	Maiq I	20843053	"MAIQ I; Sartorelli's thiosemicarbazone; CHEMBL1965932; Hydrazinecarbothioamide, hydrochloride; NSC246112; NSC-246112; Hydrazinecarbothioamide, hydrochloride (2:3)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	246112	.	.	.	.	295.79	C12H14ClN5S	121	332	.	19	4	4	2	"InChI=1S/C12H13N5S.ClH/c1-7-5-15-10(6-16-17-12(14)18)8-3-2-4-9(13)11(7)8;/h2-6H,13H2,1H3,(H3,14,17,18);1H/b16-6-;"	CC1=CN=C(C2=C1C(=CC=C2)N)/C=N\\NC(=S)N.Cl	UBNPKGRKOMHQDD-NKBLJONXSA-N
DG65429	"N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxyphenyl)-1-methylthieno[2,3-c]pyrazole-5-carboxamide"	20856297	TCMDC-123585; CHEMBL586962; MMV019064; NSC766544; NSC-766544	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766544	.	.	.	.	493.6	C26H28FN5O2S	90.9	711	4.6	35	1	7	7	"InChI=1S/C26H28FN5O2S/c1-30-26-20(24(29-30)18-6-5-7-19(16-18)34-2)17-23(35-26)25(33)28-10-11-31-12-14-32(15-13-31)22-9-4-3-8-21(22)27/h3-9,16-17H,10-15H2,1-2H3,(H,28,33)"	CN1C2=C(C=C(S2)C(=O)NCCN3CCN(CC3)C4=CC=CC=C4F)C(=N1)C5=CC(=CC=C5)OC	LCUDPYILJFKBKX-UHFFFAOYSA-N
DG65430	"3-amino-6-benzyl-N-mesityl-5,6,7,8-tetrahydrothieno[2,3-b]-1,6-naphthyridine-2-carboxamide"	20866560	"CHEMBL4745852; ZINC9612071; NSC777082; STK826901; AKOS001505527; MCULE-5205171708; NSC-777082; 3-amino-6-benzyl-N-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide; 3-amino-6-benzyl-N-mesityl-5,6,7,8-tetrahydrothieno[2,3-b]-1,6-naphthyridine-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777082	.	.	.	.	456.6	C27H28N4OS	99.5	673	5.7	33	2	5	4	"InChI=1S/C27H28N4OS/c1-16-11-17(2)24(18(3)12-16)30-26(32)25-23(28)21-13-20-15-31(14-19-7-5-4-6-8-19)10-9-22(20)29-27(21)33-25/h4-8,11-13H,9-10,14-15,28H2,1-3H3,(H,30,32)"	CC1=CC(=C(C(=C1)C)NC(=O)C2=C(C3=C(S2)N=C4CCN(CC4=C3)CC5=CC=CC=C5)N)C	DWFYCGQYBTWPIY-UHFFFAOYSA-N
DG65431	"3-amino-6-benzyl-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide"	20866562	"CHEMBL4746056; ZINC9612073; NSC777084; STK826904; AKOS001505650; MCULE-8960012584; NSC-777084; J3.555.176J; 3-amino-6-benzyl-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]-1,6-naphthyridine-2-carboxamide; 3-amino-6-benzyl-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide; N-(3-Methoxyphenyl)-3-amino-6-benzyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777084	.	.	.	.	444.6	C25H24N4O2S	109	645	4.6	32	2	6	5	"InChI=1S/C25H24N4O2S/c1-31-19-9-5-8-18(13-19)27-24(30)23-22(26)20-12-17-15-29(14-16-6-3-2-4-7-16)11-10-21(17)28-25(20)32-23/h2-9,12-13H,10-11,14-15,26H2,1H3,(H,27,30)"	COC1=CC=CC(=C1)NC(=O)C2=C(C3=C(S2)N=C4CCN(CC4=C3)CC5=CC=CC=C5)N	PMAJJWRGHROGIS-UHFFFAOYSA-N
DG65432	"4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide"	20916937	"STF-118804; 894187-61-2; STF 118804; STF118804; 4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide; 4-(5-Methyl-4-(tosylmethyl)oxazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide; C25H23N3O4S; 4-(5-Methyl-4-{[(4-methylphenyl)sulfonyl]methyl}-1,3-oxazol-2-yl)-N-(3-pyridinylmethyl)benzamide; CHEMBL4303625; SCHEMBL12468873; AOB2357; EX-A666; SYN5148; HMS3653C12; BCP09741; ZINC9212098; 2731AH; MFCD14918065; NSC832262; s7316; AKOS001906141; CCG-269355; CS-4184; MCULE-5035356713; NSC-832262; NCGC00351609-08; NCGC00351609-09; AC-32881; AS-16511; HY-12808; FT-0700399; SW219872-1; A14072; STF-118804, >=98% (HPLC); J-690382; BRD-K39171998-001-02-9; 4-(5-methyl-4-{[(4-methylphenyl)sulfonyl]methyl}-1,3-oxazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide; 4-[5-Methyl-4-[[(4-methylphenyl)sulfonyl]methyl]-2-oxazolyl]-N-(3-pyridinylmethyl)benzamide; Benzamide, 4-[5-methyl-4-[[(4-methylphenyl)sulfonyl]methyl]-2-oxazolyl]-N-(3-pyridinylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	832262	.	.	.	.	461.5	C25H23N3O4S	111	739	3.2	33	1	6	7	"InChI=1S/C25H23N3O4S/c1-17-5-11-22(12-6-17)33(30,31)16-23-18(2)32-25(28-23)21-9-7-20(8-10-21)24(29)27-15-19-4-3-13-26-14-19/h3-14H,15-16H2,1-2H3,(H,27,29)"	CC1=CC=C(C=C1)S(=O)(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)C	DLFCEZOMHBPDGI-UHFFFAOYSA-N
DG65433	"1, N1,N1-dimethyl-N2-(1-nitro-9-acridinyl)-, dihydrochloride"	21120490	"CHEMBL1991119; NSC295505; NSC-295505; 1, N1,N1-dimethyl-N2-(1-nitro-9-acridinyl)-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295505	.	.	.	.	360.8	C18H21ClN4O2	74	439	.	25	2	5	4	"InChI=1S/C18H20N4O2.ClH/c1-12(11-21(2)3)19-18-13-7-4-5-8-14(13)20-15-9-6-10-16(17(15)18)22(23)24;/h4-10,12H,11H2,1-3H3,(H,19,20);1H"	CC(CN(C)C)NC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl	BOPNKHNWJNHXPR-UHFFFAOYSA-N
DG65434	"Benzeneethanamine, monohydrochloride"	21123049	"CB 3034 hydrochloride; NIOSH/SH0261600; Benzeneethanamine, monohydrochloride; NSC240533; NSC516456; NSC-240533; NSC-516456; SH02616000; p-N,N-Di-(2-chloroethyl)aminophenylethylamine hydrochloride; Phenethylamine, p-(bis(2-chloroethyl)amino)-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	240533	.	.	.	.	297.6	C12H19Cl3N2	29.3	164	.	17	2	2	7	"InChI=1S/C12H18Cl2N2.ClH/c13-6-9-16(10-7-14)12-3-1-11(2-4-12)5-8-15;/h1-4H,5-10,15H2;1H"	C1=CC(=CC=C1CCN)N(CCCl)CCCl.Cl	YFXVBSNLPLQRNQ-UHFFFAOYSA-N
DG65435	2-Methylellipticinium iodide	21123185	"2-Methylellipticinium iodide; 66604-68-0; 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;iodide; CHEMBL69233; NSC351710; NSC-351710; 6H-Pyrido[4, 2,5,11-trimethyl-,iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	351710	.	.	.	.	388.2	C18H17IN2	19.7	368	.	21	1	1	0	"InChI=1S/C18H16N2.HI/c1-11-15-10-20(3)9-8-13(15)12(2)18-17(11)14-6-4-5-7-16(14)19-18;/h4-10H,1-3H3;1H"	CC1=C2C=C[N+](=CC2=C(C3=C1NC4=CC=CC=C43)C)C.[I-]	IEBAEDRKJIAQLM-UHFFFAOYSA-N
DG65436	1-(2-Chloroethyl)-2-(chloromethyl)piperidine hydrochloride	21123220	6274-88-0; 1-(2-CHLOROETHYL)-2-(CHLOROMETHYL)PIPERIDINE HYDROCHLORIDE; CAP 1 hydrochloride; CHEMBL1978455; DTXSID60610902; NSC33765; NSC-33765; 1-(2-Chloroethyl)-2-(chloromethyl)piperidine--hydrogen chloride (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33765	.	.	.	.	232.6	C8H16Cl3N	3.2	108	.	12	1	1	3	"InChI=1S/C8H15Cl2N.ClH/c9-4-6-11-5-2-1-3-8(11)7-10;/h8H,1-7H2;1H"	C1CCN(C(C1)CCl)CCCl.Cl	FVTCGYNXQSQUAO-UHFFFAOYSA-N
DG65437	"1,4-Dichloro-2,5-bis[(E)-2-nitroethenyl]benzene"	21140908	"90876-90-7; CHEMBL2004036; DTXSID70610978; NSC351239; NSC-351239; Benzene,4-dichloro-2,5-bis(2-nitroethenyl)-; 1,4-Dichloro-2,5-bis[(E)-2-nitroethenyl]benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	351239	.	.	.	.	289.07	C10H6Cl2N2O4	91.6	339	3.7	18	0	4	2	"InChI=1S/C10H6Cl2N2O4/c11-9-6-8(2-4-14(17)18)10(12)5-7(9)1-3-13(15)16/h1-6H/b3-1+,4-2+"	C1=C(C(=CC(=C1Cl)/C=C/[N+](=O)[O-])Cl)/C=C/[N+](=O)[O-]	DFJKZFPZBIIMAS-ZPUQHVIOSA-N
DG65438	(5E)-2-[(dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one;hydrochloride	21141929	CHEMBL1976244; NSC639498; NSC-639498	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639498	.	.	.	.	231.76	C12H22ClNO	20.3	241	.	15	1	2	3	"InChI=1S/C12H21NO.ClH/c1-9(2)7-10-5-6-11(12(10)14)8-13(3)4;/h7,9,11H,5-6,8H2,1-4H3;1H/b10-7+;"	CC(C)/C=C/1\\CCC(C1=O)CN(C)C.Cl	QECUABWGFUZPAT-HCUGZAAXSA-N
DG65439	(2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride	21141930	CHEMBL1970262; NSC639503; NSC-639503	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639503	.	.	.	.	301.9	C16H28ClNO2	29.5	319	.	20	1	3	6	"InChI=1S/C16H27NO2.ClH/c1-2-3-4-5-6-14-7-8-15(16(14)18)13-17-9-11-19-12-10-17;/h6,15H,2-5,7-13H2,1H3;1H/b14-6+;"	CCCCC/C=C/1\\CCC(C1=O)CN2CCOCC2.Cl	XTEDSHVEEBVSPK-JSSTZBRYSA-N
DG65440	(5E)-2-[(dimethylamino)methyl]-5-[2-[4-(2-methylpropyl)phenyl]propylidene]cyclopentan-1-one;hydrochloride	21141933	CHEMBL1990352; NSC639509; NSC-639509	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639509	.	.	.	.	349.9	C21H32ClNO	20.3	416	.	24	1	2	6	"InChI=1S/C21H31NO.ClH/c1-15(2)12-17-6-8-18(9-7-17)16(3)13-19-10-11-20(21(19)23)14-22(4)5;/h6-9,13,15-16,20H,10-12,14H2,1-5H3;1H/b19-13+;"	CC(C)CC1=CC=C(C=C1)C(C)/C=C/2\\CCC(C2=O)CN(C)C.Cl	AZWGVADTJQETFH-XTWSRORZSA-N
DG65441	(5E)-2-[(dimethylamino)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride	21141935	CHEMBL1973251; NSC639511; NSC-639511	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639511	.	.	.	.	295.8	C16H22ClNO2	29.5	341	.	20	1	3	4	"InChI=1S/C16H21NO2.ClH/c1-17(2)11-14-7-6-13(16(14)18)10-12-4-8-15(19-3)9-5-12;/h4-5,8-10,14H,6-7,11H2,1-3H3;1H/b13-10+;"	CN(C)CC1CC/C(=C\\C2=CC=C(C=C2)OC)/C1=O.Cl	ITZMZWGTPDFLEN-RSGUCCNWSA-N
DG65442	(5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride	21141937	CHEMBL1969960; NSC639513; NSC-639513	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639513	.	.	.	.	295.8	C16H22ClNO2	29.5	349	.	20	1	3	4	"InChI=1S/C16H21NO2.ClH/c1-17(2)11-14-8-7-13(16(14)18)9-12-5-4-6-15(10-12)19-3;/h4-6,9-10,14H,7-8,11H2,1-3H3;1H/b13-9+;"	CN(C)CC1CC/C(=C\\C2=CC(=CC=C2)OC)/C1=O.Cl	ZSAVQJDANLEEPS-KJEVSKRMSA-N
DG65443	"Cyclopentanone,3-benzodioxol-5-ylmethylene)-, hydrochloride"	21141939	"CHEMBL1985541; NSC639515; NSC-639515; Cyclopentanone,3- benzodioxol-5-ylmethylene)-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639515	.	.	.	.	309.79	C16H20ClNO3	38.8	405	.	21	1	4	3	"InChI=1S/C16H19NO3.ClH/c1-17(2)9-13-5-4-12(16(13)18)7-11-3-6-14-15(8-11)20-10-19-14;/h3,6-8,13H,4-5,9-10H2,1-2H3;1H/b12-7+;"	CN(C)CC1CC/C(=C\\C2=CC3=C(C=C2)OCO3)/C1=O.Cl	VASGZDQVUKDLCZ-RRAJOLSVSA-N
DG65444	"Cyclopentanone,4-dimethoxyphenyl)methylene]-, hydrochloride"	21141940	"CHEMBL1989248; NSC639516; NSC-639516; Cyclopentanone,4- dimethoxyphenyl)methylene]-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639516	.	.	.	.	325.8	C17H24ClNO3	38.8	392	.	22	1	4	5	"InChI=1S/C17H23NO3.ClH/c1-18(2)11-14-7-6-13(17(14)19)9-12-5-8-15(20-3)16(10-12)21-4;/h5,8-10,14H,6-7,11H2,1-4H3;1H/b13-9+;"	CN(C)CC1CC/C(=C\\C2=CC(=C(C=C2)OC)OC)/C1=O.Cl	MOXLWOCZURQQRY-KJEVSKRMSA-N
DG65445	(2E)-2-[2-[4-(2-methylpropyl)phenyl]propylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride	21141970	CHEMBL2001367; NSC639976; NSC-639976	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639976	.	.	.	.	392	C23H34ClNO2	29.5	484	.	27	1	3	6	"InChI=1S/C23H33NO2.ClH/c1-17(2)14-19-4-6-20(7-5-19)18(3)15-21-8-9-22(23(21)25)16-24-10-12-26-13-11-24;/h4-7,15,17-18,22H,8-14,16H2,1-3H3;1H/b21-15+;"	CC(C)CC1=CC=C(C=C1)C(C)/C=C/2\\CCC(C2=O)CN3CCOCC3.Cl	LVCKGKWXARUNET-NEMIEIFKSA-N
DG65446	4-Methyl-1-(2-piperidin-1-ylethylamino)thioxanthen-9-one;hydrochloride	21144135	NSC15791; NSC-15791	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15791	.	.	.	.	389	C21H25ClN2OS	57.6	465	.	26	2	4	4	"InChI=1S/C21H24N2OS.ClH/c1-15-9-10-17(22-11-14-23-12-5-2-6-13-23)19-20(24)16-7-3-4-8-18(16)25-21(15)19;/h3-4,7-10,22H,2,5-6,11-14H2,1H3;1H"	CC1=C2C(=C(C=C1)NCCN3CCCCC3)C(=O)C4=CC=CC=C4S2.Cl	DAUORLBXMJFZCZ-UHFFFAOYSA-N
DG65447	8-Amino-5-methyl-6-phenylphenanthridin-5-ium bromide	21144180	"67240-30-6; DTXSID70610993; NSC35441; NSC-35441; Phenanthridinium, 8-amino-5-methyl-6-phenyl-bromide; 8-AMINO-5-METHYL-6-PHENYLPHENANTHRIDIN-5-IUM BROMIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35441	.	.	.	.	365.3	C20H17BrN2	29.9	376	.	23	1	2	1	"InChI=1S/C20H17N2.BrH/c1-22-19-10-6-5-9-17(19)16-12-11-15(21)13-18(16)20(22)14-7-3-2-4-8-14;/h2-13H,21H2,1H3;1H/q+1;/p-1"	C[N+]1=C(C2=C(C=CC(=C2)N)C3=CC=CC=C31)C4=CC=CC=C4.[Br-]	ZWHJMVSYRFESFE-UHFFFAOYSA-M
DG65448	"Naphtho(1,2-b)quinolizinium, 13-methyl-, chloride"	21144197	"CHEMBL1990431; NIOSH/QL6500000; NSC39310; NSC 39310; NSC-39310; QL65000000; 13-Methylnaphtho(1,2-b)quinolizinium chloride; Naphtho(1,2-b)quinolizinium, 13-methyl-, chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39310	.	.	.	.	279.8	C18H14ClN	4.1	326	.	20	0	1	0	"InChI=1S/C18H14N.ClH/c1-13-17-8-4-5-11-19(17)12-15-10-9-14-6-2-3-7-16(14)18(13)15;/h2-12H,1H3;1H/q+1;/p-1"	CC1=C2C(=C[N+]3=CC=CC=C13)C=CC4=CC=CC=C42.[Cl-]	KZMZPJUNOIINPX-UHFFFAOYSA-M
DG65449	"Benzenemethanaminium,N,N-trimethyl-alpha-undecyl-, salt with 4-methylbenzenesulfonic acid (1:1)"	21144271	"NSC69509; NSC-69509; Benzenemethanaminium,N,N-trimethyl-.alpha.-undecyl-, salt with 4-methylbenzenesulfonic acid (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69509	.	.	.	.	475.7	C28H45NO3S	65.6	440	.	33	0	3	12	"InChI=1S/C21H38N.C7H8O3S/c1-5-6-7-8-9-10-11-12-16-19-21(22(2,3)4)20-17-14-13-15-18-20;1-6-2-4-7(5-3-6)11(8,9)10/h13-15,17-18,21H,5-12,16,19H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1"	CCCCCCCCCCCC(C1=CC=CC=C1)[N+](C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]	YHWONCKMYWPLOG-UHFFFAOYSA-M
DG65450	"Naphtho[1, 9-methyl-, bromide"	21144314	"CHEMBL2001172; Naphtho[1, 9-methyl-, bromide; NSC77810; NSC-77810"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	77810	.	.	.	.	324.2	C18H14BrN	4.1	326	.	20	0	1	0	"InChI=1S/C18H14N.BrH/c1-13-5-4-7-16-11-18-15(12-19(13)16)10-9-14-6-2-3-8-17(14)18;/h2-12H,1H3;1H/q+1;/p-1"	CC1=[N+]2C=C3C=CC4=CC=CC=C4C3=CC2=CC=C1.[Br-]	MNRUFPOWYUXULY-UHFFFAOYSA-M
DG65451	"Naphtho[2, 7,10-dimethyl-perchlorate"	21144325	"MLS002701915; CHEMBL1790033; NSC78627; NSC-78627; Naphtho[2, 7,10-dimethyl- perchlorate; Naphtho[2, 7,10-dimethyl-, perchlorate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	78627	.	.	.	.	357.8	C19H16ClNO4	78.4	448	.	25	0	4	0	"InChI=1S/C19H16N.ClHO4/c1-13-7-10-19-14(2)16-9-8-15-5-3-4-6-17(15)18(16)12-20(19)11-13;2-1(3,4)5/h3-12H,1-2H3;(H,2,3,4,5)/q+1;/p-1"	CC1=C[N+]2=C(C=C1)C(=C3C=CC4=CC=CC=C4C3=C2)C.[O-]Cl(=O)(=O)=O	HATVKTFKFQUYGO-UHFFFAOYSA-M
DG65452	"Naphtho[2, 5-chloro-7-methyl-perchlorate"	21144372	"NSC93866; NSC-93866; Naphtho[2, 5-chloro-7-methyl- perchlorate; Naphtho[2, 5-chloro-7-methyl-, perchlorate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93866	.	.	.	.	378.2	C18H13Cl2NO4	78.4	453	.	25	0	4	0	"InChI=1S/C18H13ClN.ClHO4/c1-12-15-10-17(19)14-7-3-2-6-13(14)16(15)11-20-9-5-4-8-18(12)20;2-1(3,4)5/h2-11H,1H3;(H,2,3,4,5)/q+1;/p-1"	CC1=C2C=C(C3=CC=CC=C3C2=C[N+]4=CC=CC=C14)Cl.[O-]Cl(=O)(=O)=O	QRRUVNQIBKBGBN-UHFFFAOYSA-M
DG65453	"Naphtho[1, 3,13-dimethyl-perchlorate"	21144373	"CHEMBL2003096; NSC93868; NSC-93868; Naphtho[1, 3,13-dimethyl- perchlorate; Naphtho[1, 3,13-dimethyl-, perchlorate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93868	.	.	.	.	357.8	C19H16ClNO4	78.4	448	.	25	0	4	0	"InChI=1S/C19H16N.ClHO4/c1-13-6-9-17-15(11-13)7-8-16-12-20-10-4-3-5-18(20)14(2)19(16)17;2-1(3,4)5/h3-12H,1-2H3;(H,2,3,4,5)/q+1;/p-1"	CC1=CC2=C(C=C1)C3=C(C4=CC=CC=[N+]4C=C3C=C2)C.[O-]Cl(=O)(=O)=O	AXTOSAHNNDYMRB-UHFFFAOYSA-M
DG65454	"Thiazolo[3, 2-methyl-perchlorate"	21144387	"CHEMBL2004465; NSC98883; Thiazolo[3, 2-methyl- perchlorate; NSC-98883; Thiazolo[3, 2-methyl-, perchlorate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98883	.	.	.	.	349.8	C16H12ClNO4S	107	414	.	23	0	5	0	"InChI=1S/C16H12NS.ClHO4/c1-11-10-17-15-9-5-4-7-13(15)12-6-2-3-8-14(12)16(17)18-11;2-1(3,4)5/h2-10H,1H3;(H,2,3,4,5)/q+1;/p-1"	CC1=C[N+]2=C(S1)C3=CC=CC=C3C4=CC=CC=C42.[O-]Cl(=O)(=O)=O	NFPBZGXLIAKHKP-UHFFFAOYSA-M
DG65455	"13-Methylnaphtho[1,2-c]quinolizin-5-ium;chloride"	21144417	NSC110383; NSC-110383	.	.	Investigative Drug(s)	Investigative	Small molecular drug	110383	.	.	.	.	279.8	C18H14ClN	4.1	326	.	20	0	1	0	"InChI=1S/C18H14N.ClH/c1-13-12-16-15-7-3-2-6-14(15)9-10-18(16)19-11-5-4-8-17(13)19;/h2-12H,1H3;1H/q+1;/p-1"	CC1=CC2=C(C=CC3=CC=CC=C32)[N+]4=CC=CC=C14.[Cl-]	NPZNZMKCACZBLM-UHFFFAOYSA-M
DG65456	"Propylamine, monohydrobromide"	21144443	"25313-21-7; Propylamine, monohydrobromide; CHEMBL1981026; DTXSID40611013; NSC123516; NSC-123516; 3-(2-Chloro-4-nitrophenoxy)propan-1-amine--hydrogen bromide (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123516	.	.	.	.	311.56	C9H12BrClN2O3	81.1	210	.	16	2	4	4	"InChI=1S/C9H11ClN2O3.BrH/c10-8-6-7(12(13)14)2-3-9(8)15-5-1-4-11;/h2-3,6H,1,4-5,11H2;1H"	C1=CC(=C(C=C1[N+](=O)[O-])Cl)OCCCN.Br	HMKONULKOQQNTG-UHFFFAOYSA-N
DG65457	"Pentanamide, monohydrochloride"	21144481	"Pentanamide, monohydrochloride; Valeranilide, monohydrochloride; NSC143106; NSC-143106"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143106	.	.	.	.	529	C25H25ClN4O5S	134	849	.	36	2	7	7	"InChI=1S/C25H24N4O5S.ClH/c1-3-4-9-24(30)28(35(2,33)34)18-12-10-17(11-13-18)26-25-20-7-5-6-8-22(20)27-23-16-19(29(31)32)14-15-21(23)25;/h5-8,10-16H,3-4,9H2,1-2H3,(H,26,27);1H"	CCCCC(=O)N(C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)[N+](=O)[O-])S(=O)(=O)C.Cl	QNMSACFQAONRRH-UHFFFAOYSA-N
DG65458	"10-(4-Butoxyphenoxy)-N,N,N-trimethyldecan-1-aminium bromide"	21144582	"31657-33-7; CHEMBL1975319; DTXSID40611033; NSC175996; NSC-175996; 10-(4-Butoxyphenoxy)-N,N,N-trimethyldecan-1-aminium bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175996	.	.	.	.	444.5	C23H42BrNO2	18.5	306	.	27	0	3	16	"InChI=1S/C23H42NO2.BrH/c1-5-6-20-25-22-15-17-23(18-16-22)26-21-14-12-10-8-7-9-11-13-19-24(2,3)4;/h15-18H,5-14,19-21H2,1-4H3;1H/q+1;/p-1"	CCCCOC1=CC=C(C=C1)OCCCCCCCCCC[N+](C)(C)C.[Br-]	XLFNXXSMHSQRJZ-UHFFFAOYSA-M
DG65459	"Pyrrolidinium, ethyl sulfate"	21144597	"Pyrrolidinium, ethyl sulfate; NSC186266; NSC-186266"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	186266	.	.	.	.	449.7	C24H51NO4S	74.8	346	.	30	0	4	17	"InChI=1S/C22H46N.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(4-2)21-18-19-22-23;1-2-6-7(3,4)5/h3-22H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1"	CCCCCCCCCCCCCCCC[N+]1(CCCC1)CC.CCOS(=O)(=O)[O-]	PBKZHUDIUKNEIP-UHFFFAOYSA-M
DG65460	"Piperidinium,1-didodecyl-3-methyl-, bromide"	21144608	"NSC194124; NSC-194124; Piperidinium,1-didodecyl-3-methyl-, bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	194124	.	.	.	.	516.7	C30H62BrN	0	339	.	32	0	1	22	"InChI=1S/C30H62N.BrH/c1-4-6-8-10-12-14-16-18-20-22-26-31(28-24-25-30(3)29-31)27-23-21-19-17-15-13-11-9-7-5-2;/h30H,4-29H2,1-3H3;1H/q+1;/p-1"	CCCCCCCCCCCC[N+]1(CCCC(C1)C)CCCCCCCCCCCC.[Br-]	LQEPGIXKXOCKDY-UHFFFAOYSA-M
DG65461	"1, 1'-Decyl-, monohydrochloride"	21144609	"1, 1'-decyl-, monohydrochloride; NSC194126; NSC-194126"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	194126	.	.	.	.	345	C20H41ClN2	6.5	252	.	23	1	2	10	"InChI=1S/C20H40N2.ClH/c1-2-3-4-5-6-7-8-10-15-21-18-13-20(14-19-21)22-16-11-9-12-17-22;/h20H,2-19H2,1H3;1H"	CCCCCCCCCCN1CCC(CC1)N2CCCCC2.Cl	DRWIQEOKDNJQSU-UHFFFAOYSA-N
DG65462	"Decanediimidamide, monohydrochloride"	21144633	"Decanediimidamide, monohydrochloride; NSC237343; NSC-237343"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	237343	.	.	.	.	234.77	C10H23ClN4	99.7	157	.	15	5	2	9	"InChI=1S/C10H22N4.ClH/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;/h1-8H2,(H3,11,12)(H3,13,14);1H"	C(CCCCC(=N)N)CCCC(=N)N.Cl	LMBZJGBFQYMSAI-UHFFFAOYSA-N
DG65463	N-(2-Hydroxyethyl)-N-[(1H-imidazol-5-yl)methyl]-N-methylhexadecan-1-aminium chloride	21144688	"57879-46-6; DTXSID90611043; NSC265875; 1H-Imidazole-4-methanaminium, chloride; NSC-265875; N-(2-Hydroxyethyl)-N-[(1H-imidazol-5-yl)methyl]-N-methylhexadecan-1-aminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	265875	.	.	.	.	416.1	C23H46ClN3O	48.9	327	.	28	2	3	19	"InChI=1S/C23H46N3O.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(2,18-19-27)21-23-20-24-22-25-23;/h20,22,27H,3-19,21H2,1-2H3,(H,24,25);1H/q+1;/p-1"	CCCCCCCCCCCCCCCC[N+](C)(CCO)CC1=CN=CN1.[Cl-]	MXQQSGPXGZJFFC-UHFFFAOYSA-M
DG65464	"Benzenamine,N-bis(2-chloroethyl)-4-ethoxy-, hydrochloride"	21144784	"NSC309455; NSC-309455; Benzenamine,N-bis(2-chloroethyl)-4-ethoxy-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	309455	.	.	.	.	298.6	C12H18Cl3NO	12.5	166	.	17	1	2	7	"InChI=1S/C12H17Cl2NO.ClH/c1-2-16-12-5-3-11(4-6-12)15(9-7-13)10-8-14;/h3-6H,2,7-10H2,1H3;1H"	CCOC1=CC=C(C=C1)N(CCCl)CCCl.Cl	VZFGFONAKJJBAD-UHFFFAOYSA-N
DG65465	"Benzo[c]phenanthridinium,3,8,9,12-pentamethoxy-5-methyl-, methanesulfonate"	21144847	"CHEMBL1982030; NSC344688; NSC-344688; Benzo[c]phenanthridinium,3,8,9,12-pentamethoxy-5-methyl-, methanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	344688	.	.	.	.	489.5	C24H27NO8S	116	627	.	34	0	8	5	"InChI=1S/C23H24NO5.CH4O3S/c1-24-12-13-7-19(26-3)20(27-4)8-14(13)16-10-18(25-2)15-9-21(28-5)22(29-6)11-17(15)23(16)24;1-5(2,3)4/h7-12H,1-6H3;1H3,(H,2,3,4)/q+1;/p-1"	C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C(=C3)OC)OC)OC)OC)OC.CS(=O)(=O)[O-]	OKNKOJMMBDZXLQ-UHFFFAOYSA-M
DG65466	"Benzofuran, monohydrochloride"	21144903	"Benzofuran, monohydrochloride; NSC377467; NSC-377467"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	377467	.	.	.	.	393.3	C20H22Cl2N2O2	28.8	435	.	26	1	4	3	"InChI=1S/C20H21ClN2O2.ClH/c1-22-9-11-23(12-10-22)19-17-13-16(24-2)7-8-18(17)25-20(19)14-3-5-15(21)6-4-14;/h3-8,13H,9-12H2,1-2H3;1H"	CN1CCN(CC1)C2=C(OC3=C2C=C(C=C3)OC)C4=CC=C(C=C4)Cl.Cl	WEKHTFMDMBQDAV-UHFFFAOYSA-N
DG65467	"(5,5-Dimethyl-4,5-dihydro-1H-pyrazol-3-yl)(triphenyl)phosphanium bromide"	21157570	"32251-63-1; DTXSID20611096; NSC219241; AKOS024325547; MCULE-2069280819; NSC-219241; (5,5-Dimethyl-4,5-dihydro-1H-pyrazol-3-yl)(triphenyl)phosphanium bromide; Phosphonium,5-dihydro-5,5-dimethyl-1H-pyrazol-3-yl)triphenyl-, bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	219241	.	.	.	.	439.3	C23H24BrN2P	24.4	449	.	27	1	3	4	"InChI=1S/C23H24N2P.BrH/c1-23(2)18-22(24-25-23)26(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17,25H,18H2,1-2H3;1H/q+1;/p-1"	CC1(CC(=NN1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]	LROCHYALKGVSHL-UHFFFAOYSA-M
DG65468	Cyclopenta[a]naphthalen-3-one	21218162	cyclopenta[a]naphthalen-3-one; SCHEMBL8641042; NSC727347; NSC-727347	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727347	.	.	.	.	180.2	C13H8O	17.1	279	3.2	14	0	1	0	InChI=1S/C13H8O/c14-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)13/h1-8H	C1=CC=C2C(=C1)C=CC3=C2C=CC3=O	OHLWLEWXJYNHQM-UHFFFAOYSA-N
DG65469	"Sodium;4-(3,5-dibromo-4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one"	21276631	"sodium;4-(3,5-dibromo-4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one; NSC11216; NSC-11216; Indophenol,6-dibromo-, monosodium salt; 2, 2,6-dibromo-4-[(4-hydroxyphenyl)imino]-, sodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11216	.	.	.	.	379.99	C12H7Br2NNaO2+	49.7	373	.	18	1	3	1	"InChI=1S/C12H7Br2NO2.Na/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7;/h1-6,17H;/q;+1"	C1=CC(=O)C=CC1=NC2=CC(=C(C(=C2)Br)O)Br.[Na+]	FJYSJARYQAYJGE-UHFFFAOYSA-N
DG65470	Furospongolide	21637526	Furospongolide; CHEBI:67727; CHEMBL1077108; BDBM50481802; NSC775913; NSC-775913; Q27136200; 76343-80-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775913	.	.	.	.	328.4	C21H28O3	39.4	499	5.3	24	0	3	10	"InChI=1S/C21H28O3/c1-17(8-4-10-19-12-13-23-15-19)6-3-7-18(2)9-5-11-20-14-21(22)24-16-20/h7-8,12-15H,3-6,9-11,16H2,1-2H3/b17-8+,18-7+"	C/C(=C\\CC/C(=C/CCC1=COC=C1)/C)/CCCC2=CC(=O)OC2	WCHKEOQZUQGPSS-ZTRBTYSCSA-N
DG65471	"2H-Cyclohepta[b]furan-2-one, octahydro-5-hydroxy-6-methyl-8-(2-methyl-1-oxobutoxy)-3-methylene-7-(1-oxo-2-butenyl)-"	21672237	"CHEMBL1993001; NSC701593; NSC-701593; 2H-Cyclohepta[b]furan-2-one, octahydro-5-hydroxy- 6-methyl-8-(2-methyl-1-oxobutoxy)-3-methylene-7- (1-oxo-2-butenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701593	.	.	.	.	380.4	C20H28O7	110	667	2	27	2	7	6	"InChI=1S/C20H28O7/c1-6-8-15(22)20(25)12(5)14(21)9-13-11(4)19(24)26-16(13)17(20)27-18(23)10(3)7-2/h6,8,10,12-14,16-17,21,25H,4,7,9H2,1-3,5H3/b8-6+/t10 ,12-,13-,14+,16+,17-,20+/m0/s1"	CCC(C)C(=O)O[C@H]1[C@H]2[C@@H](C[C@H]([C@@H]([C@]1(C(=O)/C=C/C)O)C)O)C(=C)C(=O)O2	WFHINDLSACGWNX-WWAUHBDUSA-N
DG65472	Triacetylandrographolide	21679044	"UNII-6V668B97GS; 6V668B97GS; Triacetylandrographolide; 3,14,19-Ac-Andrographolide; CHEMBL1933972; Andrographolide 3,14,19-triacetate; NSC780381; ZINC15415107; NSC-780381; Andrographolide triacetyl derivative [MI]; 2(3H)-Furanone, 4-(acetyloxy)-3-(2-((1R,4aS,5R,6R,8aS)-6-(acetyloxy)-5-((acetyloxy)methyl)decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethylidene)dihydro-, (3E,4S)-; 79233-05-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780381	.	.	.	.	476.6	C26H36O8	105	905	3.3	34	0	8	9	"InChI=1S/C26H36O8/c1-15-7-10-22-25(5,12-11-23(34-18(4)29)26(22,6)14-32-16(2)27)20(15)9-8-19-21(33-17(3)28)13-31-24(19)30/h8,20-23H,1,7,9-14H2,2-6H3/b19-8+/t20-,21-,22+,23-,25+,26+/m1/s1"	CC(=O)OC[C@]1([C@H]2CCC(=C)[C@H]([C@@]2(CC[C@H]1OC(=O)C)C)C/C=C/3\\[C@@H](COC3=O)OC(=O)C)C	KJFJXGDQSMGFTO-GSGGYZLZSA-N
DG65473	"3-(4-methoxyphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole"	21792363	NSC744693; NSC-744693	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744693	.	.	.	.	278.3	C18H18N2O	33.6	400	3.7	21	1	3	2	"InChI=1S/C18H18N2O/c1-21-14-9-6-13(7-10-14)17-16-11-8-12-4-2-3-5-15(12)18(16)20-19-17/h2-7,9-10,16-17,19H,8,11H2,1H3"	COC1=CC=C(C=C1)C2C3CCC4=CC=CC=C4C3=NN2	UVKSVLMOLNOULA-UHFFFAOYSA-N
DG65474	1-[(2Z)-3-amino-3-phenylprop-2-enoyl]-3-phenyl-1H-pyrazol-5-amine	21825201	NSC749518; NSC-749518; 1-[(2Z)-3-amino-3-phenylprop-2-enoyl]-3-phenyl-1H-pyrazol-5-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749518	.	.	.	.	304.3	C18H16N4O	86.9	438	3.2	23	2	4	3	"InChI=1S/C18H16N4O/c19-15(13-7-3-1-4-8-13)11-18(23)22-17(20)12-16(21-22)14-9-5-2-6-10-14/h1-12H,19-20H2/b15-11-"	C1=CC=C(C=C1)C2=NN(C(=C2)N)C(=O)/C=C(/C3=CC=CC=C3)\\N	GFEWMFOBMTXLAQ-PTNGSMBKSA-N
DG65475	Spiro 32	21872718	"NSC192965; Spiro 32; Spirogermanium compound; S 99 A; NSC-192965; SCHEMBL4551; SPRIOGERMANIUM HYDROCHLORIDE; 2-Aza-8-germaspiro[4.5]decane-2-propanamine,8-diethyl-N,N-dimethyl-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	192965	.	.	.	.	377.6	C17H37ClGeN2	6.5	289	.	21	1	2	6	"InChI=1S/C17H36GeN2.ClH/c1-5-18(6-2)11-8-17(9-12-18)10-15-20(16-17)14-7-13-19(3)4;/h5-16H2,1-4H3;1H"	CC[Ge]1(CCC2(CCN(C2)CCCN(C)C)CC1)CC.Cl	FYXUOECINAVYTO-UHFFFAOYSA-N
DG65476	(4-Methoxyphenyl)(phenyl)iodanium trifluoroacetate	21910132	330-88-1; SCHEMBL761109; DTXSID70954622; NSC141351; NSC-141351; (4-Methoxyphenyl)(phenyl)iodanium trifluoroacetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141351	.	.	.	.	424.15	C15H12F3IO3	49.4	247	.	22	0	6	3	"InChI=1S/C13H12IO.C2HF3O2/c1-15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;3-2(4,5)1(6)7/h2-10H,1H3;(H,6,7)/q+1;/p-1"	COC1=CC=C(C=C1)[I+]C2=CC=CC=C2.C(=O)(C(F)(F)F)[O-]	XXCQVFAKDMZVLF-UHFFFAOYSA-M
DG65477	N-(4-(benzyloxy)-3-bromophenyl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4-amine	21952043	CHEMBL214689; SCHEMBL2099119; BDBM50189105; NSC756271; NSC-756271; NCGC00242211-01; AB01092316-01; N-(4-(benzyloxy)-3-bromophenyl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756271	.	.	.	.	607.5	C29H27BrN4O4S	115	855	5.1	39	2	8	11	"InChI=1S/C29H27BrN4O4S/c1-39(35,36)14-13-31-17-23-9-12-27(38-23)21-7-10-26-24(15-21)29(33-19-32-26)34-22-8-11-28(25(30)16-22)37-18-20-5-3-2-4-6-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34)"	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Br	RRURVOSFXQLYQR-UHFFFAOYSA-N
DG65478	CID 21977446	21977446	482635-81-4; CID 21977446; NSC-747273; CHEMBL539201; DTXSID00621037; NSC747273; Tetrabutylammonium tris(pentafluoroethyl)trifluorophosphate; Tetrabutylphosphanium trifluoro[tris(pentafluoroethyl)]phosphate(1-); TETRABUTYLPHOSPHONIUM TRIS(PENTAFLUOROETHYL)TRIFLUOROPHOSPHATE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747273	.	.	.	.	704.4	C22H36F18P2	0	585	.	42	0	19	15	"InChI=1S/C16H36P.C6F18P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;7-1(8,9)4(16,17)25(22,23,24,5(18,19)2(10,11)12)6(20,21)3(13,14)15/h5-16H2,1-4H3;/q+1;-1"	CCCC[P+](CCCC)(CCCC)CCCC.C(C(F)(F)[P-](C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)(F)F)(F)(F)F	MPHWFTFOTMAHTJ-UHFFFAOYSA-N
DG65479	NSC750324	22149181	"9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-(3-oxoprop-1-en-2-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid; NSC750324; NSC-750324"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750324	.	.	.	.	470.7	C30H46O4	74.6	908	6.8	34	2	4	3	"InChI=1S/C30H46O4/c1-18(17-31)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-27(4)12-11-23(32)26(2,3)21(27)10-13-29(22,28)6/h17,19-24,32H,1,7-16H2,2-6H3,(H,33,34)"	CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC5(C4C(CC5)C(=C)C=O)C(=O)O)C)C)C	OTNMMCVDNMEIGO-UHFFFAOYSA-N
DG65480	"6-Chloro-5-(2-piperazin-1-YL-ethyl)-1,3-dihydro-indol-2-one"	22181640	"188797-79-7; UNII-J8Q2SF4XUL; J8Q2SF4XUL; 6-CHLORO-5-(2-PIPERAZIN-1-YL-ETHYL)-1,3-DIHYDRO-INDOL-2-ONE; Ziprasidone ox-p; Ziprasidone (m4a); Lurasidone Impurity 21; SCHEMBL5858746; CHEMBL3987019; NSC762889; NSC-762889; SB34676; 6-Chloro-5-(2-piperazin-1-ylethyl)indolin-2-one; 6-Chloro-5-(2-(piperazin-1-yl)ethyl)indolin-2-one; 6-chloro-5-(2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one; 2H-Indol-2-one, 6-chloro-1,3-dihydro-5-(2-(1-piperazinyl)ethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762889	.	.	.	.	279.76	C14H18ClN3O	44.4	333	1	19	2	3	3	"InChI=1S/C14H18ClN3O/c15-12-9-13-11(8-14(19)17-13)7-10(12)1-4-18-5-2-16-3-6-18/h7,9,16H,1-6,8H2,(H,17,19)"	C1CN(CCN1)CCC2=C(C=C3C(=C2)CC(=O)N3)Cl	LLNIWWGUWKFGLE-UHFFFAOYSA-N
DG65481	5-{2-[4-(aminomethyl)phenyl]-5-(pyridin-4-yl)-1H-imidazol-4-yl}-2-chlorophenol	22185379	CHEMBL200320; SB-476429-A; Rhodamine green labeled ligand; SCHEMBL2214546; BDBM26040; NSC756455; NSC-756455; NCGC00242005-01; AB01092414-01; 5-{2-[4-(aminomethyl)phenyl]-5-(pyridin-4-yl)-1H-imidazol-4-yl}-2-chlorophenol; Rhodamine green labeled 5-{2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl}-2-chlorophenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756455	.	.	.	.	376.8	C21H17ClN4O	87.8	467	3.1	27	3	4	4	"InChI=1S/C21H17ClN4O/c22-17-6-5-16(11-18(17)27)20-19(14-7-9-24-10-8-14)25-21(26-20)15-3-1-13(12-23)2-4-15/h1-11,27H,12,23H2,(H,25,26)"	C1=CC(=CC=C1CN)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC(=C(C=C4)Cl)O	UOHHVCYLYIQXFG-UHFFFAOYSA-N
DG65482	"Phosphonium,2-propadienyl-, bromide"	22210403	"CHEMBL1967182; Phosphonium,2-propadienyl-, bromide; NSC-110602"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	110602	.	.	.	.	381.2	C21H18BrP	0	329	.	23	0	1	4	"InChI=1S/C21H18P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-18H,1H2;1H/q+1;/p-1"	C=C=C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]	IEJSECDWUIWJNJ-UHFFFAOYSA-M
DG65483	"Benzamide, N-(3-aminopropyl)-N-[(1R)-1-[7-chloro-4-oxo-3-(phenylmethyl)-4H-1-benzopyran-2-yl]-2-methylpropyl]-4-methyl-"	22345245	"SB-743291; Benzamide, N-(3-aminopropyl)-N-[(1R)-1-[7-chloro-4-oxo-3-(phenylmethyl)-4H-1-benzopyran-2-yl]-2-methylpropyl]-4-methyl-; 618430-39-0; SCHEMBL647316; CHEMBL4590257; NSC773261; NSC-773261; SB16648; NCGC00389279-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773261	.	.	.	.	517.1	C31H33ClN2O3	72.6	813	6.2	37	1	4	9	"InChI=1S/C31H33ClN2O3/c1-20(2)28(34(17-7-16-33)31(36)23-12-10-21(3)11-13-23)30-26(18-22-8-5-4-6-9-22)29(35)25-15-14-24(32)19-27(25)37-30/h4-6,8-15,19-20,28H,7,16-18,33H2,1-3H3"	CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=C(C(=O)C3=C(O2)C=C(C=C3)Cl)CC4=CC=CC=C4)C(C)C	PGXYIBJJCLWJST-UHFFFAOYSA-N
DG65484	4-[1-(1-Methylpiperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine-2-amine	22464113	CHEMBL95207; SB-220455; SCHEMBL4584741; HMS3303O07; HMS3305E14; BDBM50105750; NSC756418; NSC-756418; NCGC00241981-01; NCGC00241981-02; AB01092384-01; 4-[1-(1-Methylpiperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine-2-amine; 4-[5-(4-Fluoro-phenyl)-3-(1-methyl-piperidin-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756418	.	.	.	.	352.4	C19H21FN6	72.9	449	1.9	26	1	6	3	"InChI=1S/C19H21FN6/c1-25-10-7-15(8-11-25)26-12-23-17(13-2-4-14(20)5-3-13)18(26)16-6-9-22-19(21)24-16/h2-6,9,12,15H,7-8,10-11H2,1H3,(H2,21,22,24)"	CN1CCC(CC1)N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F	SVRAGOOKTLUHES-UHFFFAOYSA-N
DG65485	4-[5-(2-Azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol	22464120	SB-223133; CHEMBL319988; 4-[5-(2-azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol; SCHEMBL4912960; CHEMBL1888586; HMS3303E04; HMS3305J03; BDBM50105765; NSC756420; NSC-756420; NCGC00241940-01; AB01092386-01; 4-[5-(2-Amino-pyrimidin-4-yl)-4-(4-fluoro-phenyl)-imidazol-1-yl]-cyclohexanol; 4beta-[4-(4-Fluorophenyl)-5-(2-amino-4-pyrimidinyl)-1-imidazolyl]cyclohexane-1alpha-ol; F92	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756420	.	.	.	.	353.4	C19H20FN5O	89.8	453	2	26	2	6	3	"InChI=1S/C19H20FN5O/c20-13-3-1-12(2-4-13)17-18(16-9-10-22-19(21)24-16)25(11-23-17)14-5-7-15(26)8-6-14/h1-4,9-11,14-15,26H,5-8H2,(H2,21,22,24)"	C1CC(CCC1N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F)O	YNEJNUAUXPCFAS-UHFFFAOYSA-N
DG65486	(4-Benzyloxy-phenyl)-(6-furan-2-yl-quinazolin-4-yl)-amine	22609796	GW284372X; CHEMBL215993; SCHEMBL6768662; HMS3303J03; HMS3305P10; NSC756205; NSC-756205; NCGC00241929-01; AB01092306-01; (4-Benzyloxy-phenyl)-(6-furan-2-yl-quinazolin-4-yl)-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756205	.	.	.	.	393.4	C25H19N3O2	60.2	519	5.6	30	1	5	6	"InChI=1S/C25H19N3O2/c1-2-5-18(6-3-1)16-30-21-11-9-20(10-12-21)28-25-22-15-19(24-7-4-14-29-24)8-13-23(22)26-17-27-25/h1-15,17H,16H2,(H,26,27,28)"	C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=CO5	CJQVGTFFDYKCRG-UHFFFAOYSA-N
DG65487	"3-(2-N,2,4-benzotriazine 1-oxide. Hydrochloride"	22609881	"SCHEMBL6365708; CHEMBL1982605; NSC628910; NSC-628910; 3-(2-N,2,4- benzotriazine 1-oxide. Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628910	.	.	.	.	342.78	C13H19ClN6O3	112	362	.	23	2	7	6	"InChI=1S/C13H18N6O3.ClH/c1-3-17(4-2)8-7-14-13-15-11-6-5-10(19(21)22)9-12(11)18(20)16-13;/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15,16);1H"	CCN(CC)CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=N1)[O-].Cl	BKNHJBIDSDNQNZ-UHFFFAOYSA-N
DG65488	"2-Bromo-3-methoxy-9,10-[1,2]benzenoanthracene-1,4,5,8-tetraone."	22629990	"SCHEMBL6850490; NSC727282; NSC-727282; 2-Bromo-3-methoxy-9,10-[1,2]benzenoanthracene-1 ,4,5,8-tetraone.; 3-Bromo-2-methoxy-9,10-dihydro-9,10-[1,2]benzenoanthracene-1,4,5,8-tetrone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727282	.	.	.	.	423.2	C21H11BrO5	77.5	977	2.2	27	0	5	1	"InChI=1S/C21H11BrO5/c1-27-21-18(22)19(25)16-12-8-4-2-3-5-9(8)13(17(16)20(21)26)15-11(24)7-6-10(23)14(12)15/h2-7,12-13H,1H3"	COC1=C(C(=O)C2=C(C1=O)C3C4=CC=CC=C4C2C5=C3C(=O)C=CC5=O)Br	DMKIHWHRRCVLFV-UHFFFAOYSA-N
DG65489	"N-(2-Benzyl-1H-benzimidazole-5-yl)-N',N'-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine"	22727427	"TCMDC-137304; GW301888X; CHEMBL531804; SCHEMBL6765469; HMS3303N20; HMS3305N17; NSC756216; NSC-756216; NCGC00242168-01; AB01092266-01; N-(2-Benzyl-1H-benzimidazole-5-yl)-N',N'-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756216	.	.	.	.	395.5	C23H21N7	82.6	552	4.3	30	2	6	5	"InChI=1S/C23H21N7/c1-30(2)22-12-17-20(13-24-22)25-14-26-23(17)27-16-8-9-18-19(11-16)29-21(28-18)10-15-6-4-3-5-7-15/h3-9,11-14H,10H2,1-2H3,(H,28,29)(H,25,26,27)"	CN(C)C1=NC=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N=C(N4)CC5=CC=CC=C5	RCDUEGIHNAMABT-UHFFFAOYSA-N
DG65490	"N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-2-(4-chlorophenyl)sulfanylacetamide"	22781840	NSC750838; ZINC19643126; AKOS003994976; NSC-750838	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750838	.	.	.	.	445.4	C21H14Cl2N2OS2	95.5	533	6.7	28	1	4	5	"InChI=1S/C21H14Cl2N2OS2/c22-13-5-8-15(9-6-13)27-12-20(26)24-14-7-10-16(17(23)11-14)21-25-18-3-1-2-4-19(18)28-21/h1-11H,12H2,(H,24,26)"	C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl)Cl	AXCAOCRLJVKZRE-UHFFFAOYSA-N
DG65491	"4-(5,6-Dimethoxybenzo[b]thiophen-2-yl)-4-oxobutanoic acid"	23035251	"MSA-2; 129425-81-6; 4-(5,6-dimethoxybenzo[b]thiophen-2-yl)-4-oxobutanoic acid; 4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid; MSA2; SCHEMBL9208326; CHEMBL4434776; BDBM453551; EX-A4363; US10730849, Example 16; NSC828583; s9681; NSC-828583; BS-46613; HY-136927; CS-0135308; E75421; A937166; 4-(5,6-dimethoxy-benzo[b]thien-2-yl)-4-oxo-butanoic acid; 5,6-dimethoxy-gamma-oxo-benzo[b]thiophene-2-Butanoic Acid; 4-(5,6-dimethoxybenzo[b]thiophen-2-yl)-4- oxobutanoic acid; QAD"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	828583	.	.	.	.	294.32	C14H14O5S	101	373	2.3	20	1	6	6	"InChI=1S/C14H14O5S/c1-18-10-5-8-6-13(9(15)3-4-14(16)17)20-12(8)7-11(10)19-2/h5-7H,3-4H2,1-2H3,(H,16,17)"	COC1=C(C=C2C(=C1)C=C(S2)C(=O)CCC(=O)O)OC	APCLRHPWFCQIMG-UHFFFAOYSA-N
DG65492	2-hydroxy-4-[[(Z)-(2-hydroxy-4-oxochromen-3-ylidene)methyl]amino]benzoic acid	23245656	NSC747803; NSC-747803	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747803	.	.	.	.	327.29	C17H13NO6	116	533	2.2	24	4	7	3	"InChI=1S/C17H13NO6/c19-13-7-9(5-6-10(13)16(21)22)18-8-12-15(20)11-3-1-2-4-14(11)24-17(12)23/h1-8,17-19,23H,(H,21,22)/b12-8+"	C1=CC=C2C(=C1)C(=O)/C(=C\\NC3=CC(=C(C=C3)C(=O)O)O)/C(O2)O	VNIIWSZMMVFLNF-XYOKQWHBSA-N
DG65493	"1-(1H-indazol-3-yl)-1,3-dihydro-benzoimidazol-2-one"	23279830	"NSC741615; NSC-741615; 1-(1H-indazol-3-yl)-1,3-dihydro-benzoimidazol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741615	.	.	.	.	250.25	C14H10N4O	61	375	2.3	19	2	2	1	"InChI=1S/C14H10N4O/c19-14-15-11-7-3-4-8-12(11)18(14)13-9-5-1-2-6-10(9)16-17-13/h1-8H,(H,15,19)(H,16,17)"	C1=CC=C2C(=C1)C(=NN2)N3C4=CC=CC=C4NC3=O	GOVWKHQAFOWYCU-UHFFFAOYSA-N
DG65494	Ara AMP disodium salt	23443702	"NSC259272; Ara AMP disodium salt; NSC-259272; 9H-Purin-6-amine, disodium salt; NSC139033; NSC-139033; ADENINE, 9-PENTOFURANOSYL-5'-PHOSPHATE; ADENOSINE ARABINOSIDE-5'-PHOSPHATE , NA SALT"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	259272	.	.	.	.	370.21	C10H14N5NaO7P+	186	481	.	24	5	11	4	"InChI=1S/C10H14N5O7P.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);/q;+1"	C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N.[Na+]	FYWLYWMEGHCZAX-UHFFFAOYSA-N
DG65495	"(Z)-5-((4-(pyridin-4-yl)quinolin-6-yl)methylene)thiazolidine-2,4-dione"	23582824	"GSK1059615; 958852-01-2; GSK-1059615; GSK 1059615; (Z)-5-((4-(pyridin-4-yl)quinolin-6-yl)methylene)thiazolidine-2,4-dione; UNII-07YMO87363; 5-[[4-(4-Pyridinyl)-6-quinolinyl]methylene]-2,4-thiazolidenedione; (5Z)-5-[(4-pyridin-4-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione; GSK-615; GSK 1059615 sodium salt hydrate; 07YMO87363; C18H11N3O2S; 5-{[4-(pyridin-4-yl)quinolin-6-yl]methylene}-1,3-thiazolidine-2,4-dione; GSK615; GTPL9826; SCHEMBL1805557; SCHEMBL1805561; CHEMBL3544966; CHEBI:71955; DTXSID00242004; EX-A2223; NSC801012; s1360; ZINC43176569; AKOS024457937; BCP9000732; CCG-267842; CS-0187; DB11962; NSC-801012; NCGC00346509-02; AC-32797; HY-12036; SW219415-1; X7431; A25166; A858796; BRD-K06750613-001-01-6; Q27139828; Q27236330; 5-[(Z)-[4-(4-Pyridyl)-6-quinolyl]methylene]thiazolidine-2,4-dione; (5Z)-5-{[4-(4-pyridinyl)-6-quinolinyl]methylidene}-1,3-thiazolidine-2,4-dione; 5-[[4-(4-Pyridinyl)-6-quinolinyl]methylene]-2,4-thiazolidenedione;GSK1059615"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801012	.	.	.	.	333.4	C18H11N3O2S	97.2	544	3	24	1	5	2	"InChI=1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23)/b16-10-"	C1=CC2=NC=CC(=C2C=C1/C=C\\3/C(=O)NC(=O)S3)C4=CC=NC=C4	QDITZBLZQQZVEE-YBEGLDIGSA-N
DG65496	1-Allyl-2-[4-chloro-2-(carbamoylmethylthio)-5-(phenylcarbamo yl)benzenesulfonyl]-3-(5-nitro-2-furfurylidenimino)guanidine	23583768	NSC734057; NSC-734057; 1-Allyl-2-[4-chloro-2-(carbamoylmethylthio)-5-(phenylcarbamo yl)benzenesulfonyl]-3-(5-nitro-2-furfurylidenimino)guanidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734057	.	.	.	.	620.1	C24H22ClN7O7S2	248	1110	3.5	41	4	10	13	"InChI=1S/C24H22ClN7O7S2/c1-2-10-27-24(30-28-13-16-8-9-22(39-16)32(35)36)31-41(37,38)20-11-17(18(25)12-19(20)40-14-21(26)33)23(34)29-15-6-4-3-5-7-15/h2-9,11-13H,1,10,14H2,(H2,26,33)(H,29,34)(H2,27,30,31)/b28-13+"	C=CCN=C(N/N=C/C1=CC=C(O1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=CC=C3)Cl)SCC(=O)N	GQFRUBCFSSUMNB-XODNFHPESA-N
DG65497	2-(4-Chloro-2-carbamoylmethylthio-5-methylbenzenesulfonyl)-3-(5-nitrofurfulidenimino)-1-(2-propynyl)guanidine	23583910	NSC728518; NSC-728518; 2-(4-Chloro-2-carbamoylmethylthio-5-methylbenzenesulfonyl)-3 -(5-nitrofurfulidenimino)-1-(2-propynyl)guanidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728518	.	.	.	.	513	C18H17ClN6O6S2	219	925	2.5	33	3	9	10	"InChI=1S/C18H17ClN6O6S2/c1-3-6-21-18(23-22-9-12-4-5-17(31-12)25(27)28)24-33(29,30)15-7-11(2)13(19)8-14(15)32-10-16(20)26/h1,4-5,7-9H,6,10H2,2H3,(H2,20,26)(H2,21,23,24)/b22-9+"	CC1=CC(=C(C=C1Cl)SCC(=O)N)S(=O)(=O)NC(=NCC#C)N/N=C/C2=CC=C(O2)[N+](=O)[O-]	KSAOIUFPGWFVRR-LSFURLLWSA-N
DG65498	"methyl 1-(3-(hydroxymethyl)quinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate"	23584224	"NSC742033; NSC-742033; 1-[3-(Hydroxymethyl)-2-quinolinyl]-beta-carboline-3-carboxylic acid methyl ester; methyl 1-(3-(hydroxymethyl)quinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742033	.	.	.	.	383.4	C23H17N3O3	88.1	602	3.6	29	2	5	4	"InChI=1S/C23H17N3O3/c1-29-23(28)19-11-16-15-7-3-5-9-18(15)25-21(16)22(26-19)20-14(12-27)10-13-6-2-4-8-17(13)24-20/h2-11,25,27H,12H2,1H3"	COC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=NC5=CC=CC=C5C=C4CO	QFIHNMXPRNRZBI-UHFFFAOYSA-N
DG65499	7-[[4-(3-Chlorophenyl)piperazin-1-yl]methyl]-5-(propan-2-yloxymethyl)quinolin-8-ol	23604751	CHEMBL591183; MMV000788; NSC766563; CCG-142897; NSC-766563; SJ000117455	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766563	.	.	.	.	425.9	C24H28ClN3O2	48.8	529	4.3	30	1	5	6	"InChI=1S/C24H28ClN3O2/c1-17(2)30-16-19-13-18(24(29)23-22(19)7-4-8-26-23)15-27-9-11-28(12-10-27)21-6-3-5-20(25)14-21/h3-8,13-14,17,29H,9-12,15-16H2,1-2H3"	CC(C)OCC1=C2C=CC=NC2=C(C(=C1)CN3CCN(CC3)C4=CC(=CC=C4)Cl)O	IENYQAIEIIEHTE-UHFFFAOYSA-N
DG65500	"Cacodylic acid, sodium salt"	23615615	"Cacodylic acid, sodium salt; sodium;dimethylarsinic acid; Alkarsodyl; Arsecodile; Arsycodile; Ansar 160; Ansar 560; Arsine oxide, sodium salt; Arsinic acid, sodium salt; Dimethylarsinic acid, sodium salt; NSC1910; NSC-1910; Hydroxydimethylarsine oxide sodium salt; WLN: Q-AS-O & 1 & 1 &-NA-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1910	.	.	.	.	160.99	C2H7AsNaO2+	37.3	62	.	6	1	2	0	"InChI=1S/C2H7AsO2.Na/c1-3(2,4)5;/h1-2H3,(H,4,5);/q;+1"	C[As](=O)(C)O.[Na+]	IHQKEDIOMGYHEB-UHFFFAOYSA-N
DG65501	N-(4-Methoxyphenyl)acridin-9-amine--hydrogen chloride (1/1)	23621357	75651-12-6; DTXSID60635216; NSC165715; AKOS024330716; MCULE-3676905223; NSC-165715; N-(4-Methoxyphenyl)acridin-9-amine--hydrogen chloride (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	165715	.	.	.	.	336.8	C20H17ClN2O	34.2	358	.	24	2	3	3	"InChI=1S/C20H16N2O.ClH/c1-23-15-12-10-14(11-13-15)21-20-16-6-2-4-8-18(16)22-19-9-5-3-7-17(19)20;/h2-13H,1H3,(H,21,22);1H"	COC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42.Cl	MOOVWGYSDVQCIE-UHFFFAOYSA-N
DG65502	"2-[4-Chloro-5-(4-chlorophenylcarbamoyl)-2-mercaptobenzenesul fonyl]-3,1-dioxo-2H-1,2,4,6-thiatriazine"	23624974	"NSC734046; NSC-734046; 2-[4-Chloro-5-(4-chlorophenylcarbamoyl)-2-mercaptobenzenesul fonyl]-3,1-dioxo-2H-1,2,4,6-thiatriazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734046	.	.	.	.	525.4	C15H10Cl2N4O7S3	177	958	2.1	31	4	8	4	"InChI=1S/C15H10Cl2N4O7S3/c16-7-1-3-8(4-2-7)18-13(22)9-5-12(11(29)6-10(9)17)30(25,26)21-15(24)19-14(23)20-31(21,27)28/h1-6,29H,(H,18,22)(H2,19,20,23,24)"	C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2Cl)S)S(=O)(=O)N3C(=O)NC(=O)NS3(=O)=O)Cl	PCUWVXIPZZKUPB-UHFFFAOYSA-N
DG65503	(4S)-Parectadial	23625545	(4S)-Parectadial; SCHEMBL1301857; NSC746540; NSC-746540	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746540	.	.	.	.	164.2	C10H12O2	34.1	238	1.3	12	0	2	3	"InChI=1S/C10H12O2/c1-8(6-11)10-4-2-9(7-12)3-5-10/h2,6-7,10H,1,3-5H2/t10-/m1/s1"	C=C(C=O)[C@H]1CCC(=CC1)C=O	LMTPRFICCZFNBL-SNVBAGLBSA-N
DG65504	NSC763564	23634407	"1-(2-(dimethylamino)ethyl)-3-(((2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl)methyl)urea; 858668-07-2; EMD534085; EMD-534085; EMD 534085; UNII-AL67QX8036; 1-(2-(dimethylamino)ethyl)-3-(((2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl)methyl)urea; CHEMBL1077204; AL67QX8036; 1-(2-(Dimethylamino)ethyl)-3-(((2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano(3,2-C)quinolin-2-yl)methyl)urea; 1-[2-(dimethylamino)ethyl]-3-{[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl}urea; (-)-EMD-534085; SCHEMBL369891; DTXSID90235147; EX-A2369; BDBM50313428; NSC763564; ZINC44460257; BCP9000643; CS-6279; NSC-763564; 1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea; HY-15000; Urea, N-(2-(dimethylamino)ethyl)-N'-(((2R,4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-5-phenyl-9-(trifluoromethyl)-2H-pyrano(3,2-C)quinolin-2-yl)methyl)-; BCP0726000144; A15956; Q27273980"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763564	.	.	.	.	476.5	C25H31F3N4O2	65.6	671	3.8	34	3	7	6	"InChI=1S/C25H31F3N4O2/c1-32(2)13-12-29-24(33)30-15-18-9-10-19-22(16-6-4-3-5-7-16)31-21-11-8-17(25(26,27)28)14-20(21)23(19)34-18/h3-8,11,14,18-19,22-23,31H,9-10,12-13,15H2,1-2H3,(H2,29,30,33)/t18-,19+,22+,23+/m1/s1"	CN(C)CCNC(=O)NC[C@H]1CC[C@H]2[C@@H](NC3=C([C@H]2O1)C=C(C=C3)C(F)(F)F)C4=CC=CC=C4	MARIUIDCPUZLKZ-FUKQBSRTSA-N
DG65505	"7-Fluoro-2-benzoyl-3-trifluoromethylquioxaline 1,4-dioxide"	23635154	"CHEMBL240483; NSC740385; NSC-740385; 7-fluoro-2-benzoyl-3-trifluoromethylquioxaline 1,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740385	.	.	.	.	352.24	C16H8F4N2O3	63.4	599	2.6	25	0	8	2	"InChI=1S/C16H8F4N2O3/c17-10-6-7-11-12(8-10)21(24)13(15(22(11)25)16(18,19)20)14(23)9-4-2-1-3-5-9/h1-8H"	C1=CC=C(C=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)F)[O-])C(F)(F)F	VXDIWJXVNFQVJJ-UHFFFAOYSA-N
DG65506	"[4-Oxido-1-oxo-3,7-bis(trifluoromethyl)quinoxalin-1-ium-2-yl]-phenylmethanone"	23635282	CHEMBL240698; NSC740384; NSC-740384	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740384	.	.	.	.	402.25	C17H8F6N2O3	63.4	681	3.4	28	0	10	2	"InChI=1S/C17H8F6N2O3/c18-16(19,20)10-6-7-11-12(8-10)24(27)13(15(25(11)28)17(21,22)23)14(26)9-4-2-1-3-5-9/h1-8H"	C1=CC=C(C=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)C(F)(F)F)[O-])C(F)(F)F	HFBKXUNSNBXHFR-UHFFFAOYSA-N
DG65507	"[4-Oxido-1-oxo-3,6-bis(trifluoromethyl)quinoxalin-1-ium-2-yl]-phenylmethanone"	23635283	CHEMBL240280; NSC741437; NSC-741437	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741437	.	.	.	.	402.25	C17H8F6N2O3	63.4	681	3.4	28	0	10	2	"InChI=1S/C17H8F6N2O3/c18-16(19,20)10-6-7-11-12(8-10)25(28)15(17(21,22)23)13(24(11)27)14(26)9-4-2-1-3-5-9/h1-8H"	C1=CC=C(C=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=CC(=C3)C(F)(F)F)[O-])C(F)(F)F	FKCFMPSVCOGQQS-UHFFFAOYSA-N
DG65508	"[6,7-Difluoro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]-naphthalen-2-ylmethanone"	23635284	CHEMBL238060; NSC736435; NSC-736435	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736435	.	.	.	.	420.3	C20H9F5N2O3	63.4	755	3.9	30	0	9	2	"InChI=1S/C20H9F5N2O3/c21-13-8-15-16(9-14(13)22)27(30)19(20(23,24)25)17(26(15)29)18(28)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H"	C1=CC=C2C=C(C=CC2=C1)C(=O)C3=C(N(C4=CC(=C(C=C4[N+]3=O)F)F)[O-])C(F)(F)F	OCKSPPHQWAREQY-UHFFFAOYSA-N
DG65509	"7-Fluoro-3-trifluoromethyl-2-naftoylquioxaline 1,4-dioxide"	23635287	"CHEMBL393536; NSC736437; NSC-736437; 7-fluoro-3-trifluoromethyl-2-naftoylquioxaline 1,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736437	.	.	.	.	402.3	C20H10F4N2O3	63.4	723	3.8	29	0	8	2	"InChI=1S/C20H10F4N2O3/c21-14-7-8-15-16(10-14)25(28)17(19(26(15)29)20(22,23)24)18(27)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H"	C1=CC=C2C=C(C=CC2=C1)C(=O)C3=C(N(C4=C([N+]3=O)C=C(C=C4)F)[O-])C(F)(F)F	SKQQHTSKZMDXTL-UHFFFAOYSA-N
DG65511	"Naphthalen-2-yl-[4-oxido-1-oxo-3,7-bis(trifluoromethyl)quinoxalin-1-ium-2-yl]methanone"	23635411	CHEMBL236613; NSC741425; NSC-741425	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741425	.	.	.	.	452.3	C21H10F6N2O3	63.4	808	4.6	32	0	10	2	"InChI=1S/C21H10F6N2O3/c22-20(23,24)14-7-8-15-16(10-14)28(31)17(19(29(15)32)21(25,26)27)18(30)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H"	C1=CC=C2C=C(C=CC2=C1)C(=O)C3=C(N(C4=C([N+]3=O)C=C(C=C4)C(F)(F)F)[O-])C(F)(F)F	GVUYIQYXHJGNGP-UHFFFAOYSA-N
DG65512	"(1,6-Bis-trifluoromethyl-quinoxalin-2-yl)-naphthalen-2-yl-methanone"	23635412	"CHEMBL235549; NSC741433; NSC-741433; (1,6-bis-trifluoromethyl-quinoxalin-2-yl)-naphthalen-2-yl-methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741433	.	.	.	.	452.3	C21H10F6N2O3	63.4	808	4.6	32	0	10	2	"InChI=1S/C21H10F6N2O3/c22-20(23,24)14-7-8-15-16(10-14)29(32)19(21(25,26)27)17(28(15)31)18(30)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H"	C1=CC=C2C=C(C=CC2=C1)C(=O)C3=C(N(C4=C([N+]3=O)C=CC(=C4)C(F)(F)F)[O-])C(F)(F)F	FOQOVCMPHXNQQC-UHFFFAOYSA-N
DG65513	"[6,7-Dimethyl-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]-thiophen-2-ylmethanone"	23635414	CHEMBL394133; NSC729176; NSC-729176	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729176	.	.	.	.	368.3	C16H11F3N2O3S	91.7	622	3.2	25	0	8	2	"InChI=1S/C16H11F3N2O3S/c1-8-6-10-11(7-9(8)2)21(24)15(16(17,18)19)13(20(10)23)14(22)12-4-3-5-25-12/h3-7H,1-2H3"	CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C(F)(F)F)C(=O)C3=CC=CS3	BJUVRLKHMYWIFC-UHFFFAOYSA-N
DG65514	"[6,7-Difluoro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]-thiophen-2-ylmethanone"	23635415	CHEMBL267148; NSC728085; NSC-728085	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728085	.	.	.	.	376.26	C14H5F5N2O3S	91.7	626	2.7	25	0	10	2	"InChI=1S/C14H5F5N2O3S/c15-6-4-8-9(5-7(6)16)21(24)13(14(17,18)19)11(20(8)23)12(22)10-2-1-3-25-10/h1-5H"	C1=CSC(=C1)C(=O)C2=C(N(C3=CC(=C(C=C3[N+]2=O)F)F)[O-])C(F)(F)F	RIDRYNQDWAPQOS-UHFFFAOYSA-N
DG65515	"2-Carboxy-(2'-theonyl)-6,4-dioxide"	23635522	"CHEMBL240907; SCHEMBL18597958; NSC728083; 2-carboxy-(2'-theonyl)-6,4-dioxide; NSC-728083"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728083	.	.	.	.	409.2	C14H5Cl2F3N2O3S	91.7	631	3.7	25	0	8	2	"InChI=1S/C14H5Cl2F3N2O3S/c15-6-4-8-9(5-7(6)16)21(24)13(14(17,18)19)11(20(8)23)12(22)10-2-1-3-25-10/h1-5H"	C1=CSC(=C1)C(=O)C2=C(N(C3=CC(=C(C=C3[N+]2=O)Cl)Cl)[O-])C(F)(F)F	MKAGEBVRBXBJKL-UHFFFAOYSA-N
DG65516	"7-Methoxy-2-(thien-2-ylcarbonyl)-3-trifluoromethylquinoxalin e 1,4-dioxide"	23635524	"CHEMBL241123; NSC729178; NSC-729178; 7-methoxy-2-(thien-2-ylcarbonyl)-3-trifluoromethylquinoxalin e 1,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729178	.	.	.	.	370.3	C15H9F3N2O4S	101	610	2.5	25	0	9	3	"InChI=1S/C15H9F3N2O4S/c1-24-8-4-5-9-10(7-8)19(22)12(13(21)11-3-2-6-25-11)14(20(9)23)15(16,17)18/h2-7H,1H3"	COC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C3=CC=CS3)C(F)(F)F)[O-]	AQWVDTQWUZDZLY-UHFFFAOYSA-N
DG65517	"7-Fluoro-2-(thien-2-ilcarbonyl)-3-trifluoromethylquioxaline 1,4-dioxide"	23635525	"CHEMBL397537; NSC736442; NSC-736442; 7-fluoro-2-(thien-2-ilcarbonyl)-3-trifluoromethylquioxaline 1,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736442	.	.	.	.	358.27	C14H6F4N2O3S	91.7	595	2.6	24	0	9	2	"InChI=1S/C14H6F4N2O3S/c15-7-3-4-8-9(6-7)19(22)11(12(21)10-2-1-5-24-10)13(20(8)23)14(16,17)18/h1-6H"	C1=CSC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)F)[O-])C(F)(F)F	GLLQQOCPLFPVOE-UHFFFAOYSA-N
DG65518	"7-Chloro-2-(thien-2-yl)carbonyl-3-trifluoromethylquinoxaline 1,4-dioxide"	23635526	"CHEMBL241543; NSC728084; NSC-728084; 7-Chloro-2-(thien-2-yl)carbonyl-3-trifluoromethylquinoxaline 1,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728084	.	.	.	.	374.7	C14H6ClF3N2O3S	91.7	598	3.1	24	0	8	2	"InChI=1S/C14H6ClF3N2O3S/c15-7-3-4-8-9(6-7)19(22)11(12(21)10-2-1-5-24-10)13(20(8)23)14(16,17)18/h1-6H"	C1=CSC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)Cl)[O-])C(F)(F)F	DTAURENBPDRJRX-UHFFFAOYSA-N
DG65519	"[4-Oxido-1-oxo-3,7-bis(trifluoromethyl)quinoxalin-1-ium-2-yl]-thiophen-2-ylmethanone"	23635527	"CHEMBL394152; NSC740383; NSC-740383; [4-oxido-1-oxo-3,7-bis(trifluoromethyl)quinoxalin-1-ium-2-yl]-thiophen-2-ylmethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740383	.	.	.	.	408.28	C15H6F6N2O3S	91.7	677	3.4	27	0	11	2	"InChI=1S/C15H6F6N2O3S/c16-14(17,18)7-3-4-8-9(6-7)22(25)11(12(24)10-2-1-5-27-10)13(23(8)26)15(19,20)21/h1-6H"	C1=CSC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)C(F)(F)F)[O-])C(F)(F)F	KQNAKEWNMALXGU-UHFFFAOYSA-N
DG65520	"[4-Oxido-1-oxo-3,6-bis(trifluoromethyl)quinoxalin-1-ium-2-yl]-thiophen-2-ylmethanone"	23635528	CHEMBL238563; NSC740109; NSC-740109	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740109	.	.	.	.	408.28	C15H6F6N2O3S	91.7	677	3.4	27	0	11	2	"InChI=1S/C15H6F6N2O3S/c16-14(17,18)7-3-4-8-9(6-7)23(26)13(15(19,20)21)11(22(8)25)12(24)10-2-1-5-27-10/h1-6H"	C1=CSC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=CC(=C3)C(F)(F)F)[O-])C(F)(F)F	QCDYYHPFNWFQLO-UHFFFAOYSA-N
DG65521	"2-Carboxy-(2'-furyl)-3-trifluoromethylquinoxaline 1,4-dioxide"	23635641	"CHEMBL238564; NSC728086; NSC-728086; 2-carboxy-(2'-furyl)-3-trifluoromethylquinoxaline 1,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728086	.	.	.	.	324.21	C14H7F3N2O4	76.6	561	1.9	23	0	8	2	"InChI=1S/C14H7F3N2O4/c15-14(16,17)13-11(12(20)10-6-3-7-23-10)18(21)8-4-1-2-5-9(8)19(13)22/h1-7H"	C1=CC=C2C(=C1)N(C(=C([N+]2=O)C(=O)C3=CC=CO3)C(F)(F)F)[O-]	GEEDPTKNQZYVOW-UHFFFAOYSA-N
DG65522	"[6,7-Difluoro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]-(furan-2-yl)methanone"	23635642	CHEMBL235551; NSC728076; NSC-728076	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728076	.	.	.	.	360.19	C14H5F5N2O4	76.6	623	2.1	25	0	10	2	"InChI=1S/C14H5F5N2O4/c15-6-4-8-9(5-7(6)16)21(24)13(14(17,18)19)11(20(8)23)12(22)10-2-1-3-25-10/h1-5H"	C1=COC(=C1)C(=O)C2=C(N(C3=CC(=C(C=C3[N+]2=O)F)F)[O-])C(F)(F)F	AIEXZIYFQBCCGK-UHFFFAOYSA-N
DG65523	"[6,7-Dichloro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]-(furan-2-yl)methanone"	23635643	CHEMBL238080; NSC728074; NSC-728074	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728074	.	.	.	.	393.1	C14H5Cl2F3N2O4	76.6	628	3.1	25	0	8	2	"InChI=1S/C14H5Cl2F3N2O4/c15-6-4-8-9(5-7(6)16)21(24)13(14(17,18)19)11(20(8)23)12(22)10-2-1-3-25-10/h1-5H"	C1=COC(=C1)C(=O)C2=C(N(C3=CC(=C(C=C3[N+]2=O)Cl)Cl)[O-])C(F)(F)F	XOUTXLYWMUBXJK-UHFFFAOYSA-N
DG65524	Furan-2-yl-[7-methoxy-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]methanone	23635645	"CHEMBL394915; NSC731198; NSC-731198; 2-carboxy-(2 -furyl)-7-methoxy-3-trifluoromethylquinoxaline 1,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731198	.	.	.	.	354.24	C15H9F3N2O5	85.8	607	1.8	25	0	9	3	"InChI=1S/C15H9F3N2O5/c1-24-8-4-5-9-10(7-8)19(22)12(13(21)11-3-2-6-25-11)14(20(9)23)15(16,17)18/h2-7H,1H3"	COC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C3=CC=CO3)C(F)(F)F)[O-]	YUHJHKUHFJPQMS-UHFFFAOYSA-N
DG65525	"7-Fluoro-2-(2-furoyl)-3-trifluoromethylquioxaline 1,4-dioxide"	23635646	"CHEMBL238253; NSC736443; NSC-736443; 7-fluoro-2-(2-furoyl)-3-trifluoromethylquioxaline 1,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736443	.	.	.	.	342.2	C14H6F4N2O4	76.6	592	2	24	0	9	2	"InChI=1S/C14H6F4N2O4/c15-7-3-4-8-9(6-7)19(22)11(12(21)10-2-1-5-24-10)13(20(8)23)14(16,17)18/h1-6H"	C1=COC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)F)[O-])C(F)(F)F	CFVGKMVHLIVURA-UHFFFAOYSA-N
DG65526	"2-Carboxy-(2'-furyl)-7-chloro-3-trifluoromethylquinoxaline 1,4-dioxide"	23635647	"CHEMBL400832; NSC728078; NSC-728078; 2-carboxy-(2'-furyl)-7-chloro-3-trifluoromethylquinoxaline 1,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728078	.	.	.	.	358.65	C14H6ClF3N2O4	76.6	595	2.5	24	0	8	2	"InChI=1S/C14H6ClF3N2O4/c15-7-3-4-8-9(6-7)19(22)11(12(21)10-2-1-5-24-10)13(20(8)23)14(16,17)18/h1-6H"	C1=COC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)Cl)[O-])C(F)(F)F	JNACFPPEAPAHCP-UHFFFAOYSA-N
DG65527	"Furan-2-yl-[4-oxido-1-oxo-3,7-bis(trifluoromethyl)quinoxalin-1-ium-2-yl]methanone"	23635775	CHEMBL441140; NSC740386; NSC-740386	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740386	.	.	.	.	392.21	C15H6F6N2O4	76.6	674	2.8	27	0	11	2	"InChI=1S/C15H6F6N2O4/c16-14(17,18)7-3-4-8-9(6-7)22(25)11(12(24)10-2-1-5-27-10)13(23(8)26)15(19,20)21/h1-6H"	C1=COC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)C(F)(F)F)[O-])C(F)(F)F	DMMKPEKMJWYVOQ-UHFFFAOYSA-N
DG65528	"Furan-2-yl-[4-oxido-1-oxo-3,6-bis(trifluoromethyl)quinoxalin-1-ium-2-yl]methanone"	23635776	CHEMBL393737; NSC740110; NSC-740110	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740110	.	.	.	.	392.21	C15H6F6N2O4	76.6	674	2.8	27	0	11	2	"InChI=1S/C15H6F6N2O4/c16-14(17,18)7-3-4-8-9(6-7)23(26)13(15(19,20)21)11(22(8)25)12(24)10-2-1-5-27-10/h1-6H"	C1=COC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=CC(=C3)C(F)(F)F)[O-])C(F)(F)F	DGBWTDCILDELEX-UHFFFAOYSA-N
DG65529	"Furan-2-yl-(1-oxy-3,7-bis-trifluoromethyl-quinoxalin-2-yl)-methanone"	23635780	"CHEMBL393738; NSC741428; NSC-741428; furan-2-yl-(1-oxy-3,7-bis-trifluoromethyl-quinoxalin-2-yl)-methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741428	.	.	.	.	376.21	C15H6F6N2O3	68.6	541	3.1	26	0	10	2	"InChI=1S/C15H6F6N2O3/c16-14(17,18)7-3-4-8-9(6-7)23(25)11(13(22-8)15(19,20)21)12(24)10-2-1-5-26-10/h1-6H"	C1=COC(=C1)C(=O)C2=[N+](C3=C(C=CC(=C3)C(F)(F)F)N=C2C(F)(F)F)[O-]	LYUHMKBXRGAIQB-UHFFFAOYSA-N
DG65530	"2-(2-chlorophenyl)-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one"	23643976	"riviciclib; CHEMBL3969723; 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(2r,3s)-2-(hydroxymethyl)-1-methyl-3-pyrrolidinyl]-, rel-; 647019-54-3; P-276-00; 920113-02-6; 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one; SCHEMBL665749; GTPL7934; ZINC3937395; BDBM50193086; HY-16559A; NSC800813; NSC-800813; CS-0011013; P16835; A903151; Q27088556; (+)-trans-2-(2-chloro-phenyl)-5,7-dihydroxy-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-chromen-4-one; (+)-trans-2-(2-chlorophenyl)-5,7-dihydroxy-8-(2-hydroxy methyl-1-methyl-pyrrolidin-3-yl)-chromen-4-one; (+)-trans-2-(2-Chlorophenyl)-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-5,7-dihydroxy-chromen-4-one; (+/-)-trans-2-(2-chloro-phenyl)-5,7-dihydroxy-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-chromen-4-one; 2-(2-Chlorophenyl)-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methyl-3-pyrrolidinyl]-4H-1-benzopyran-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800813	.	.	.	.	401.8	C21H20ClNO5	90.2	628	3.3	28	3	6	3	"InChI=1S/C21H20ClNO5/c1-23-7-6-12(14(23)10-24)19-15(25)8-16(26)20-17(27)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,14,24-26H,6-7,10H2,1H3/t12-,14+/m1/s1"	CN1CC[C@H]([C@@H]1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	QLUYMIVVAYRECT-OCCSQVGLSA-N
DG65531	"3-(4-{4-Aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[3,5-bis(trifluoromethyl)phenyl]urea"	23646936	"GW795486X; 3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[3,5-bis(trifluoromethyl)phenyl]urea; CHEMBL396107; BDBM15004; HMS3303A15; HMS3305I20; NSC756357; NSC-756357; NCGC00242093-01; 4-amino-5-diarylurea-furo[2,3-d]pyrimidine 8b; AB01092337-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756357	.	.	.	.	481.3	C21H13F6N5O2	106	693	4.5	34	3	11	3	"InChI=1S/C21H13F6N5O2/c22-20(23,24)11-5-12(21(25,26)27)7-14(6-11)32-19(33)31-13-3-1-10(2-4-13)15-8-34-18-16(15)17(28)29-9-30-18/h1-9H,(H2,28,29,30)(H2,31,32,33)"	C1=CC(=CC=C1C2=COC3=NC=NC(=C23)N)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F	VLTNUYNTYZRWQD-UHFFFAOYSA-N
DG65532	"3-(4-{4-Aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[3-(trifluoromethyl)phenyl]urea"	23646938	"GW795493X; 3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[3-(trifluoromethyl)phenyl]urea; CHEMBL273564; BDBM15006; HMS3304L01; HMS3305H12; NSC756358; NSC-756358; NCGC00242246-01; J3.496.869A; 4-amino-5-diarylurea-furo[2,3-d]pyrimidine 8d; AB01092338-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756358	.	.	.	.	413.4	C20H14F3N5O2	106	600	3.7	30	3	8	3	"InChI=1S/C20H14F3N5O2/c21-20(22,23)12-2-1-3-14(8-12)28-19(29)27-13-6-4-11(5-7-13)15-9-30-18-16(15)17(24)25-10-26-18/h1-10H,(H2,24,25,26)(H2,27,28,29)"	C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C3=COC4=NC=NC(=C34)N)C(F)(F)F	LSVIBAPJYUUVJJ-UHFFFAOYSA-N
DG65533	Actb-1003	23653175	"ACTB-1003; 939805-30-8; UNII-44750KD9OE; EOC317; ACTB 1003; 44750KD9OE; 1-[4-[4-amino-6-(methoxymethyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-fluorophenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea; 1-(4-(4-amino-6-(methoxymethyl)-7-(morpholinomethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea; N-[4-[4-amino-6-(methoxymethyl)-7-(4-morpholinylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-fluorophenyl]-N'-[2-fluoro-5-(trifluoromethyl)phenyl]urea; SCHEMBL275751; ACTB1003; CHEMBL3991934; EX-A536; BCP13578; MFCD25976782; NSC799324; ZINC68247511; CS-3723; NSC-799324; SB17196; NCGC00481611-02; DA-40320; HY-16025; QC-11754; Urea, N-(4-(4-amino-6-(methoxymethyl)-7-(4-morpholinylmethyl)pyrrolo(2,1-F)(1,2,4)triazin-5-yl)-2-fluorophenyl)-N'-(2-fluoro-5-(trifluoromethyl)phenyl)-; FT-0700418; A14431; F17368; A859604; Q27258717; 1-{4-[4-Amino-6-(methoxymethyl)-7-(4-morpholinylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-fluorophenyl}-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799324	.	.	.	.	591.5	C27H26F5N7O3	119	901	2.5	42	3	12	7	"InChI=1S/C27H26F5N7O3/c1-41-13-17-22(12-38-6-8-42-9-7-38)39-24(25(33)34-14-35-39)23(17)15-2-5-20(19(29)10-15)36-26(40)37-21-11-16(27(30,31)32)3-4-18(21)28/h2-5,10-11,14H,6-9,12-13H2,1H3,(H2,33,34,35)(H2,36,37,40)"	COCC1=C(N2C(=C1C3=CC(=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F)F)C(=NC=N2)N)CN5CCOCC5	GZPJCJKUZPUFAL-UHFFFAOYSA-N
DG65534	"2,3,8,8a-Tetrahydro-7-(4-methoxyphenyl)-6-phenyl-5(1H)-indolizinone"	23661578	"NSC-707904; CHEMBL398866; NSC707904; 2,3,8,8a-Tetrahydro-7-(4-methoxyphenyl)-6-phenyl-5(1H)-indolizinone; 950567-39-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707904	.	.	.	.	319.4	C21H21NO2	29.5	498	3.6	24	0	2	3	"InChI=1S/C21H21NO2/c1-24-18-11-9-15(10-12-18)19-14-17-8-5-13-22(17)21(23)20(19)16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3"	COC1=CC=C(C=C1)C2=C(C(=O)N3CCCC3C2)C4=CC=CC=C4	KQFPTEUZYOCIGQ-UHFFFAOYSA-N
DG65535	"Acrylic acid, 3-p-anisoyl-3-bromo-, sodium salt"	23663958	"UNII-CQ35023DF7; CQ35023DF7; Acrylic acid, 3-p-anisoyl-3-bromo-, sodium salt; 16170-75-5; 2126-70-7; Sodium (Z)-3-bromo-4-(4-methoxyphenyl)-4-oxo-2-butenoate; NSC104801; NSC-104801; NSC 104801; Bromebrate sodium; (Z)-sodium bromebrate; Bromebric acid, sodium salt, (Z)-isomer; Sodium bromebrate, (Z)-; 3-p-Anisoryl-3-bromoacrylic acid, sodium salt; Sodium beta-4-methoxybenzoyl-beta-bromoacryalte; CHEMBL2028393; SCHEMBL14973867; Acrylic acid, 3-bromo-3-(4-methoxybenzoyl)-, sodium salt, (Z)-; ACRYLIC ACID, 3-p-ANISOYL-3-BROMO-, SODIUM SALT, (Z)-; 2-Butenoic acid, 3-bromo-4-(4-methoxyphenyl)-4-oxo-, sodium salt; 2-Butenoic acid, 3-bromo-4-(4-methoxyphenyl)-4-oxo-, sodium salt,(Z)-; AKOS024333082; 2-Butenoic acid, 3-bromo-4-(4-methoxyphenyl)-4-oxo-, sodium salt, (Z)- (9CI); (Z)-3-(p-Anisoyl)-3-bromoacrylic acid sodium salt; Q27275627; sodium;(Z)-3-bromo-4-(4-methoxyphenyl)-4-oxobut-2-enoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	104801	.	.	.	.	307.07	C11H8BrNaO4	66.4	309	.	17	0	4	4	"InChI=1S/C11H9BrO4.Na/c1-16-8-4-2-7(3-5-8)11(15)9(12)6-10(13)14;/h2-6H,1H3,(H,13,14);/q;+1/p-1/b9-6-;"	COC1=CC=C(C=C1)C(=O)/C(=C/C(=O)[O-])/Br.[Na+]	DVDCIQWIGOVWEX-BORNJIKYSA-M
DG65536	Camptothecin sodium salt	23667303	"Camptothecin sodium salt; NSC100880; 25387-67-1; CHEMBL80536; 1531628-77-9; (R)-2-Hydroxy-2-[[9,11-dihydro-8-(hydroxymethyl)-9-oxoindolizino[1,2-b]quinolin]-7-yl]butyric acid sodium salt; Sodium (R)-2-hydroxy-2-(8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl)butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	100880	.	.	.	.	388.3	C20H17N2NaO5	114	736	.	28	2	6	4	"InChI=1S/C20H18N2O5.Na/c1-2-20(27,19(25)26)14-8-16-17-12(9-22(16)18(24)13(14)10-23)7-11-5-3-4-6-15(11)21-17;/h3-8,23,27H,2,9-10H2,1H3,(H,25,26);/q;+1/p-1/t20-;/m1./s1"	CC[C@@](C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)CO)(C(=O)[O-])O.[Na+]	HPSUBMDJBRNXKK-VEIFNGETSA-M
DG65537	Sodium;1-oxidopyridin-1-ium-2-thiol	23673459	"sodium;1-oxidopyridin-1-ium-2-thiol; Sodium, N-oxide; 2-Pyridinethiol, sodium salt; SCHEMBL143434; NSC4483; WLN: T6NJ AO BSH &-NA-; (1-Hydroxy-2-pyridinethione), tech."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4483	.	.	.	.	150.16	C5H5NNaOS+	26.5	83.4	.	9	1	2	0	"InChI=1S/C5H5NOS.Na/c7-6-4-2-1-3-5(6)8;/h1-4,8H;/q;+1"	C1=CC=[N+](C(=C1)S)[O-].[Na+]	WNGMMIYXPIAYOB-UHFFFAOYSA-N
DG65538	"Antibiotic X-14766A Noboritomycin A,6-chloro-, monosodium salt"	23675938	"NSC359239; 75283-06-6; SCHEMBL11384267; Antibiotic X-14766A Noboritomycin A,6-chloro-, monosodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	359239	.	.	.	.	861.4	C43H62ClNaO14	211	1520	.	59	4	14	14	"InChI=1S/C43H63ClO14.Na/c1-12-54-40(52)37-28(45)18-30(55-37)41(10)38(53-11)26(9)43(57-41)29(46)13-14-42(58-43)23(6)16-22(5)36(56-42)25(8)35(49)24(7)33(47)20(3)15-19(2)31-27(44)17-21(4)34(48)32(31)39(50)51;/h13-14,17,19-20,22-26,28-30,33,36-38,45-48H,12,15-16,18H2,1-11H3,(H,50,51);/q;+1/p-1"	CCOC(=O)C1C(CC(O1)C2(C(C(C3(O2)C(C=CC4(O3)C(CC(C(O4)C(C)C(=O)C(C)C(C(C)CC(C)C5=C(C=C(C(=C5C(=O)[O-])O)C)Cl)O)C)C)O)C)OC)C)O.[Na+]	ZXHULWAQMRKZKV-UHFFFAOYSA-M
DG65539	"2-Furansulfonic acid, 5,5'-(3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl)bis-, monosodium salt"	23675941	"NSC601364; 90358-66-0; DTXSID50920446; AKOS024370939; 2-Furansulfonic acid, 5,5'-(3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl)bis-, monosodium salt; Sodium 5-[3-(pyridin-2-yl)-6-(5-sulfofuran-2-yl)-1,2,4-triazin-5-yl]furan-2-sulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601364	.	.	.	.	472.4	C16H9N4NaO8S2	206	821	.	31	1	12	5	"InChI=1S/C16H10N4O8S2.Na/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9;/h1-8H,(H,21,22,23)(H,24,25,26);/q;+1/p-1"	C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(O3)S(=O)(=O)O)C4=CC=C(O4)S(=O)(=O)[O-].[Na+]	CGAHGMQKUPCZKN-UHFFFAOYSA-M
DG65540	"[(4E,6E,8E)-3-hydroxy-2-methyl-1-[3-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)butyl]deca-4,6,8-trienyl] dihydrogen phosphate"	23675948	"Cytostatin; NSC675266; 156856-30-3; 156856-30-3 (as free acid); 457070-06-3 (as sodium salt); J-009345; (8Z,10Z,12E)-2-[(3-Methyl-6-oxo-3,6-dihydro-2H-pyran)-2-yl]-6-methyl-8,10,12-tetradecatriene-5,7-diol 5-(phosphoric acid sodium) salt; [(4E,6E,8E)-3-hydroxy-2-methyl-1-[3-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)butyl]deca-4,6,8-trienyl] dihydrogen phosphate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675266	.	.	.	.	450.4	C21H32NaO7P	116	689	.	30	2	7	11	"InChI=1S/C21H33O7P.Na/c1-5-6-7-8-9-10-18(22)17(4)19(28-29(24,25)26)13-11-15(2)21-16(3)12-14-20(23)27-21;/h5-10,12,14-19,21-22H,11,13H2,1-4H3,(H2,24,25,26);/q;+1/p-1/b6-5+,8-7+,10-9+;"	C/C=C/C=C/C=C/C(C(C)C(CCC(C)C1C(C=CC(=O)O1)C)OP(=O)(O)[O-])O.[Na+]	DXWSCXWALSKXSD-GTQQMNRMSA-M
DG65541	"[6-[2,3-Di(octadecanoyloxy)propoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methanesulfonic acid"	23697151	"NSC649275; NSC623619; NSC626719; CHEMBL2028465; [6-[2,3-di(octadecanoyloxy)propoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methanesulfonic acid; Octadecanoic acid, 2-[(6-deoxy-6-sulfohexopyranosyl)oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, monosodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623619	.	.	.	.	873.2	C45H85NaO12S	197	1090	.	59	3	12	42	"InChI=1S/C45H86O12S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(46)54-35-38(36-55-45-44(50)43(49)42(48)39(57-45)37-58(51,52)53)56-41(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h38-39,42-45,48-50H,3-37H2,1-2H3,(H,51,52,53);/q;+1/p-1"	CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)[O-])O)O)O)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]	ZJZCMDVKJVQZOK-UHFFFAOYSA-M
DG65542	2-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylidene]propanedinitrile	23861723	Oprea1_267196; CHEMBL3617171; NSC749027; ZINC143112601; NSC-749027	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749027	.	.	.	.	299.3	C19H13N3O	72.6	528	3.8	23	1	3	3	"InChI=1S/C19H13N3O/c1-23-15-7-8-18-16(10-15)17(9-13(11-20)12-21)19(22-18)14-5-3-2-4-6-14/h2-10,22H,1H3"	COC1=CC2=C(C=C1)NC(=C2C=C(C#N)C#N)C3=CC=CC=C3	SKVACZJXRXRELQ-UHFFFAOYSA-N
DG65543	Pharmakon1600-01500122	23863720	SR-05000001562; 1397-89-3; Spectrum5_000397; Pharmakon1600-01500122; NSC755871; NSC-755871; SR-05000001562-1; SR-05000001562-4; SR-05000001562-11	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755871	.	.	.	.	924.1	C47H73NO17	320	1670	0	65	12	18	3	"InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30 ,31 ,32 ,33 ,34-,35 ,36 ,37-,38 ,40 ,41+,42+,43 ,44 ,46 ,47+/m0/s1"	C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](CC2C([C@H](C[C@](O2)(CC(CC(C(CCC(CC(CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C([C@@H](C(C(O3)C)O)N)O	APKFDSVGJQXUKY-BFZQMCKISA-N
DG65544	NSC748695	23947580	"3-(4-Chlorophenyl)-4-[[[(4-chlorophenyl)amino]carbonyl]hydroxyamino]-5,5-dimethyl-2-oxo-1-imidazolidineaceticacid2-[3-(5-nitro-2-furanyl)-2-propen-1-ylidene]hydrazide; eeyarestatin I; CHEMBL3220938; 412960-54-4; 3-(4-Chlorophenyl)-4-[[[(4-chlorophenyl)amino]carbonyl]hydroxyamino]-5,5-dimethyl-2-oxo-1-imidazolidineaceticacid2-[3-(5-nitro-2-furanyl)-2-propen-1-ylidene]hydrazide; ERAD inhibitor 1; p97 inhibitor 1; Eeyarestatin I -E isomer; Probes1_000502; Probes2_000077; SCHEMBL13028090; DTXSID60893495; BDBM50514012; NSC748695; AKOS024457875; NSC-748695; HY-110078; CS-0032921; 1310099-63-8; 2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide; 3-(4-chlorophenyl)-1-(3-(4-chlorophenyl)-5,5-dimethyl-1-(2-((E)-2-((E)-3-(5-nitrofuran-2-yl)allylidene)hydrazinyl)-2-oxoethyl)-2-oxoimidazolidin-4-yl)-1-hydroxyurea; Eeyarestatin I (EER-1: N'-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-5,5-dimethyl-1-(2-{2-[3-(5-nitro-2-furyl)-2-propen-1-ylidene]hydrazino}-2-oxoethyl)-2-oxo-4-imidazolidinyl]-N-hydroxyurea)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748695	.	.	.	.	630.4	C27H25Cl2N7O7	177	1090	4.2	43	3	8	8	"InChI=1S/C27H25Cl2N7O7/c1-27(2)24(35(40)25(38)31-19-9-5-17(28)6-10-19)34(20-11-7-18(29)8-12-20)26(39)33(27)16-22(37)32-30-15-3-4-21-13-14-23(43-21)36(41)42/h3-15,24,40H,16H2,1-2H3,(H,31,38)(H,32,37)/b4-3+,30-15+"	CC1(C(N(C(=O)N1CC(=O)N/N=C/C=C/C2=CC=C(O2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)N(C(=O)NC4=CC=C(C=C4)Cl)O)C	JTUXTPWYZXWOIB-LWWHHIEBSA-N
DG65545	"6-amino-N-pyridin-2-yl-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide"	24053470	Oprea1_477998; NSC796024; NSC-796024	.	.	Investigative Drug(s)	Investigative	Small molecular drug	796024	.	.	.	.	352.5	C19H20N4OS	109	476	4.8	25	2	5	2	"InChI=1S/C19H20N4OS/c20-16-13-11-12-7-3-1-2-4-8-14(12)22-19(13)25-17(16)18(24)23-15-9-5-6-10-21-15/h5-6,9-11H,1-4,7-8,20H2,(H,21,23,24)"	C1CCCC2=NC3=C(C=C2CC1)C(=C(S3)C(=O)NC4=CC=CC=N4)N	PXZKPQKZNUPXMY-UHFFFAOYSA-N
DG65546	"6-amino-N-pyridin-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide"	24135362	Oprea1_658586; NSC796023; NSC-796023	.	.	Investigative Drug(s)	Investigative	Small molecular drug	796023	.	.	.	.	338.4	C18H18N4OS	109	462	4.3	24	2	5	2	"InChI=1S/C18H18N4OS/c19-15-12-10-11-6-2-1-3-7-13(11)21-18(12)24-16(15)17(23)22-14-8-4-5-9-20-14/h4-5,8-10H,1-3,6-7,19H2,(H,20,22,23)"	C1CCC2=CC3=C(N=C2CC1)SC(=C3N)C(=O)NC4=CC=CC=N4	CZLZVQFTTGXIRY-UHFFFAOYSA-N
DG65548	"Chloro-9-[[3-(diethylamino)propyl]amino]-2-methoxyacridine, dihydrate"	24180741	"5336-65-2; NSC353; SCHEMBL15061364; DTXSID70967994; NSC-353; CHLORO-9-[[3-(DIETHYLAMINO)PROPYL]AMINO]-2-METHOXYACRIDINE, DIHYDRATE; 3-[(6-Chloro-2-methoxyacridin-9(10H)-ylidene)amino]-N,N-diethylpropan-1-amine--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353	.	.	.	.	408.4	C21H27Cl2N3O	37.4	420	.	27	2	4	8	"InChI=1S/C21H26ClN3O.ClH/c1-4-25(5-2)12-6-11-23-21-17-9-7-15(22)13-20(17)24-19-10-8-16(26-3)14-18(19)21;/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,23,24);1H"	CCN(CC)CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl	JQXKUFYMRDWBEU-UHFFFAOYSA-N
DG65549	1-Dodecyl-4-nonylpyridinium chloride	24180869	NSC2012; NSC-2012; 1-DODECYL-4-NONYLPYRIDINIUM CHLORIDE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2012	.	.	.	.	410.1	C26H48ClN	3.9	280	.	28	0	1	19	"InChI=1S/C26H48N.ClH/c1-3-5-7-9-11-12-13-15-17-19-23-27-24-21-26(22-25-27)20-18-16-14-10-8-6-4-2;/h21-22,24-25H,3-20,23H2,1-2H3;1H/q+1;/p-1"	CCCCCCCCCCCC[N+]1=CC=C(C=C1)CCCCCCCCC.[Cl-]	LPAFDDIIVPMWRB-UHFFFAOYSA-M
DG65550	"Phenylacetic acid, sodium salt"	24180949	"PHENYLACETIC ACID, SODIUM SALT; Sodium benzeneacetate; NSC-3039; sodium 2-phenylacetic acid; sodium;2-phenylacetic acid; sodium 2-phenylethanoic acid; NSC3039; Pharmakon1600-01300039; NSC755886; NSC-755886; A803217; SR-05000001451; SR-05000001451-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3039	.	.	.	.	159.14	C8H8NaO2+	37.3	114	.	11	1	2	2	"InChI=1S/C8H8O2.Na/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1"	C1=CC=C(C=C1)CC(=O)O.[Na+]	HZOREEUASZHZBI-UHFFFAOYSA-N
DG65551	"1-(3-chlorophenyl)-2-hexyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride"	24180956	"5337-96-2; DTXSID40636105; NSC3083; NSC-3083; 1-(3-Chlorophenyl)-6-hexyl-1,6-dihydro-1,3,5-triazine-2,4-diamine--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3083	.	.	.	.	344.3	C15H23Cl2N5	80	396	.	22	3	1	6	"InChI=1S/C15H22ClN5.ClH/c1-2-3-4-5-9-13-19-14(17)20-15(18)21(13)12-8-6-7-11(16)10-12;/h6-8,10,13H,2-5,9H2,1H3,(H4,17,18,19,20);1H"	CCCCCCC1N=C(N=C(N1C2=CC(=CC=C2)Cl)N)N.Cl	JZGYUALYVXVDCI-UHFFFAOYSA-N
DG65552	Mepacrine mustard dihydrochloride	24180972	"quinacrine mustard; Atabrine mustard dihydrochloride; ICR 10; Mepacrine mustard dihydrochloride; NSC-3424; NSC3424; ETHYL2-CYANO-2-CYCLOHEPTYLIDENACETATE; WLN: T C666 BNJ EG IMY3N2G2G LO1 &GH &GH; 1, N1,N1-bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-, dihydrochloride; 2-Methoxy-6-chloro-9-[[4-[bis(2-chloroethyl)amino]-1-methylbutyl]amino]acridine dihydrochloride; 9-[[4-[Bis(2-chloroethyl)amino]-1-methylbutyl]amino]-6-chloro-2-methoxyacridine dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3424	.	.	.	.	505.3	C23H29Cl4N3O	37.4	494	.	31	2	4	11	"InChI=1S/C23H28Cl3N3O.ClH/c1-16(4-3-11-29(12-9-24)13-10-25)27-23-19-7-5-17(26)14-22(19)28-21-8-6-18(30-2)15-20(21)23;/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,27,28);1H"	CC(CCCN(CCCl)CCCl)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl	GBQNIQYUTXKVHN-UHFFFAOYSA-N
DG65553	1-[2-(4-Nitrophenyl)-2-oxoethyl]-4-pentylpyridin-1-ium bromide	24181037	5397-95-5; DTXSID50636131; NSC4290; NSC-4290; 1-[2-(4-Nitrophenyl)-2-oxoethyl]-4-pentylpyridin-1-ium bromide; 1-(4-NITROPHENYL)-2-(4-PENTYLPYRIDIN-1-IUM-1-YL)ETHANONE BROMIDE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4290	.	.	.	.	393.3	C18H21BrN2O3	66.8	378	.	24	0	4	7	"InChI=1S/C18H21N2O3.BrH/c1-2-3-4-5-15-10-12-19(13-11-15)14-18(21)16-6-8-17(9-7-16)20(22)23;/h6-13H,2-5,14H2,1H3;1H/q+1;/p-1"	CCCCCC1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]	PTQWFSQVOFQVCI-UHFFFAOYSA-M
DG65554	1-[7-Chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;hydrochloride	24181064	NSC4378; NSC-4378	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4378	.	.	.	.	425.8	C21H23Cl3N2O	36.4	426	.	27	2	3	6	"InChI=1S/C21H22Cl2N2O.ClH/c1-3-25(4-2)13-21(26)18-12-19(14-5-7-15(22)8-6-14)24-20-11-16(23)9-10-17(18)20;/h5-12,21,26H,3-4,13H2,1-2H3;1H"	CCN(CC)CC(C1=CC(=NC2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl)O.Cl	ZIIAVIREADSDCE-UHFFFAOYSA-N
DG65555	Pubchem_24181093	24181093	5393-29-3; DTXSID40636145; NSC4681; PUBCHEM_24181093; NSC-4681; DS-000756	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4681	.	.	.	.	249.17	C10H10NaO6+	93.1	218	.	17	2	6	6	"InChI=1S/C10H10O6.Na/c11-9(12)5-15-7-1-2-8(4-3-7)16-6-10(13)14;/h1-4H,5-6H2,(H,11,12)(H,13,14);/q;+1"	C1=CC(=CC=C1OCC(=O)O)OCC(=O)O.[Na+]	SSBYCKHLFJLRDJ-UHFFFAOYSA-N
DG65556	"N-Benzyl-N,N-dimethylhexadecan-1-aminium hexafluorophosphate"	24181101	"2932-51-6; DTXSID00636146; NSC4844; NSC-4844; N-Benzyl-N,N-dimethylhexadecan-1-aminium hexafluorophosphate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4844	.	.	.	.	505.6	C25H46F6NP	0	353	.	33	0	7	17	"InChI=1S/C25H46N.F6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;1-7(2,3,4,5)6/h17-19,21-22H,4-16,20,23-24H2,1-3H3;/q+1;-1"	CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.F[P-](F)(F)(F)(F)F	QLHDZCGJKUISDO-UHFFFAOYSA-N
DG65557	"1-(3-Bromophenyl)-2-undecyl-2H-1,3,5-triazine-4,6-diamine hydrochloride"	24181145	"6333-47-7; 1-(3-BROMOPHENYL)-2-UNDECYL-2H-1,3,5-TRIAZINE-4,6-DIAMINE HYDROCHLORIDE; DTXSID40636165; NSC5206; NSC-5206; 1-(3-Bromophenyl)-6-undecyl-1,6-dihydro-1,3,5-triazine-2,4-diamine--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5206	.	.	.	.	458.9	C20H33BrClN5	80	465	.	27	3	1	11	"InChI=1S/C20H32BrN5.ClH/c1-2-3-4-5-6-7-8-9-10-14-18-24-19(22)25-20(23)26(18)17-13-11-12-16(21)15-17;/h11-13,15,18H,2-10,14H2,1H3,(H4,22,23,24,25);1H"	CCCCCCCCCCCC1N=C(N=C(N1C2=CC(=CC=C2)Br)N)N.Cl	JGDZYCDGFBTNJM-UHFFFAOYSA-N
DG65558	"7-N,7-N-diethyl-1-imino-8-methylphenoxazine-3,7-diamine;hydrochloride"	24181324	NSC7813; NSC-7813	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7813	.	.	.	.	332.8	C17H21ClN4O	74.7	559	.	23	3	5	3	"InChI=1S/C17H20N4O.ClH/c1-4-21(5-2)14-9-15-13(6-10(14)3)20-17-12(19)7-11(18)8-16(17)22-15;/h6-9,19H,4-5,18H2,1-3H3;1H"	CCN(CC)C1=CC2=C(C=C1C)N=C3C(=CC(=CC3=N)N)O2.Cl	FOTVOYDDINMVOK-UHFFFAOYSA-N
DG65559	Hofmann's Violet	24181402	"Hofmann's Violet; Hoffmann's Violet; Triethylrosaniline, hydrochloride; NSC8672; NSC-8672"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8672	.	.	.	.	422	C26H32ClN3	41.6	627	.	30	2	3	6	"InChI=1S/C26H31N3.ClH/c1-5-28-24-15-10-21(11-16-24)26(20-8-13-23(27)14-9-20)22-12-17-25(19(4)18-22)29(6-2)7-3;/h8-18H,5-7,27H2,1-4H3;1H"	CCN=C1C=CC(=C(C2=CC=C(C=C2)N)C3=CC(=C(C=C3)N(CC)CC)C)C=C1.Cl	PHWHSHNIIPVVHF-UHFFFAOYSA-N
DG65560	Pubchem_24181416	24181416	6293-65-8; DTXSID30636250; NSC8982; PUBCHEM_24181416; NSC-8982	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8982	.	.	.	.	510.2	C18H13IN3O7+	158	408	.	29	1	7	2	"InChI=1S/C12H10I.C6H3N3O7/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-10H;1-2,10H/q+1;"	C1=CC=C(C=C1)[I+]C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]	DIMWQKOJXMFPSG-UHFFFAOYSA-N
DG65561	"N-Ethyl-N,N-dimethyl-2-[2-(4-octylphenoxy)ethoxy]ethan-1-aminium dodecane-1-sulfonate"	24181516	"6292-31-5; DTXSID90636276; NSC9667; NSC-9667; N-Ethyl-N,N-dimethyl-2-[2-(4-octylphenoxy)ethoxy]ethan-1-aminium dodecane-1-sulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9667	.	.	.	.	600	C34H65NO5S	84	514	.	41	0	5	25	"InChI=1S/C22H40NO2.C12H26O3S/c1-5-7-8-9-10-11-12-21-13-15-22(16-14-21)25-20-19-24-18-17-23(3,4)6-2;1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h13-16H,5-12,17-20H2,1-4H3;2-12H2,1H3,(H,13,14,15)/q+1;/p-1"	CCCCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCC1=CC=C(C=C1)OCCOCC[N+](C)(C)CC	RYWSGLQSGYKTBQ-UHFFFAOYSA-M
DG65562	"1-Naphthalenemethanol,1-dimethylethyl]-4-methoxy, hydrochloride"	24181636	"5414-58-4; DTXSID40636322; NSC10587; NSC-10587; 1-Naphthalenemethanol,1-dimethylethyl]-4-methoxy, hydrochloride; 1-Naphthalenemethanol,1-dimethylethyl]-4-methoxy-, hydrochloride; 3-(Dibutylamino)-1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10587	.	.	.	.	408	C24H38ClNO2	32.7	403	.	28	2	3	11	"InChI=1S/C24H37NO2.ClH/c1-6-8-16-25(17-9-7-2)18-24(3,4)23(26)21-14-15-22(27-5)20-13-11-10-12-19(20)21;/h10-15,23,26H,6-9,16-18H2,1-5H3;1H"	CCCCN(CCCC)CC(C)(C)C(C1=CC=C(C2=CC=CC=C21)OC)O.Cl	KNQFKZABVQPTFY-UHFFFAOYSA-N
DG65563	"N-(2,3-dimethoxy-6-nitroacridin-9-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine;hydrochloride"	24181641	NSC10594; NSC-10594	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10594	.	.	.	.	539.1	C29H35ClN4O4	92.4	696	.	38	2	7	11	"InChI=1S/C29H34N4O4.ClH/c1-5-32(6-2)15-14-21(20-10-8-7-9-11-20)19-30-29-23-13-12-22(33(34)35)16-25(23)31-26-18-28(37-4)27(36-3)17-24(26)29;/h7-13,16-18,21H,5-6,14-15,19H2,1-4H3,(H,30,31);1H"	CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])C4=CC=CC=C4.Cl	JBANJYHYPHFVFW-UHFFFAOYSA-N
DG65564	1-(5-Chloro-2-methoxyphenyl)-2-(dipentylamino)ethanol;hydrochloride	24181655	NSC10641; NSC-10641	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10641	.	.	.	.	378.4	C19H33Cl2NO2	32.7	281	.	24	2	3	12	"InChI=1S/C19H32ClNO2.ClH/c1-4-6-8-12-21(13-9-7-5-2)15-18(22)17-14-16(20)10-11-19(17)23-3;/h10-11,14,18,22H,4-9,12-13,15H2,1-3H3;1H"	CCCCCN(CCCCC)CC(C1=C(C=CC(=C1)Cl)OC)O.Cl	UYKZCNJYTZGPCZ-UHFFFAOYSA-N
DG65565	1-(4-Chloronaphthalen-1-yl)-2-(dipentylamino)ethanol;hydrochloride	24181664	NSC10660; NSC-10660	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10660	.	.	.	.	398.4	C22H33Cl2NO	23.5	341	.	26	2	2	11	"InChI=1S/C22H32ClNO.ClH/c1-3-5-9-15-24(16-10-6-4-2)17-22(25)20-13-14-21(23)19-12-8-7-11-18(19)20;/h7-8,11-14,22,25H,3-6,9-10,15-17H2,1-2H3;1H"	CCCCCN(CCCCC)CC(C1=CC=C(C2=CC=CC=C21)Cl)O.Cl	UYEYPFAQJAPXQJ-UHFFFAOYSA-N
DG65566	"N,N-Dibutyl-7-(diethylamino)-9-methyl-3H-phenothiazin-3-iminium chloride"	24181669	"6285-83-2; DTXSID50636338; NSC10667; NSC-10667; Phenothiazin-5-ium (9CI), chloride; N,N-Dibutyl-7-(diethylamino)-9-methyl-3H-phenothiazin-3-iminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10667	.	.	.	.	446.1	C25H36ClN3S	43.9	662	.	30	0	4	9	"InChI=1S/C25H36N3S.ClH/c1-6-10-14-28(15-11-7-2)20-12-13-22-23(17-20)29-24-18-21(27(8-3)9-4)16-19(5)25(24)26-22;/h12-13,16-18H,6-11,14-15H2,1-5H3;1H/q+1;/p-1"	CCCC[N+](=C1C=CC2=NC3=C(C=C(C=C3C)N(CC)CC)SC2=C1)CCCC.[Cl-]	RMODMLJGOYRGMV-UHFFFAOYSA-M
DG65567	2-Benzyl-6-[[2-[(3-benzyl-5-chloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]-4-chlorophenol;hydrochloride	24181851	NSC11963; NSC-11963	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11963	.	.	.	.	557.9	C30H31Cl3N2O2	64.5	562	.	37	5	4	11	"InChI=1S/C30H30Cl2N2O2.ClH/c31-27-15-23(13-21-7-3-1-4-8-21)29(35)25(17-27)19-33-11-12-34-20-26-18-28(32)16-24(30(26)36)14-22-9-5-2-6-10-22;/h1-10,15-18,33-36H,11-14,19-20H2;1H"	C1=CC=C(C=C1)CC2=C(C(=CC(=C2)Cl)CNCCNCC3=CC(=CC(=C3O)CC4=CC=CC=C4)Cl)O.Cl	IGSGORWPRDFXAD-UHFFFAOYSA-N
DG65568	"4-(6-Chloro-2-methoxyacridin-9-ylamino)-2-(pyrrolidin-1-ylmethyl)phenol, hydrochloride"	24181914	"NSC-12516; NSC12516; 4-(6-Chloro-2-methoxyacridin-9-ylamino)-2-(pyrrolidin-1-ylmethyl)phenol, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12516	.	.	.	.	470.4	C25H25Cl2N3O2	57.6	589	.	32	3	5	5	"InChI=1S/C25H24ClN3O2.ClH/c1-31-19-6-8-22-21(14-19)25(20-7-4-17(26)13-23(20)28-22)27-18-5-9-24(30)16(12-18)15-29-10-2-3-11-29;/h4-9,12-14,30H,2-3,10-11,15H2,1H3,(H,27,28);1H"	COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC(=C(C=C4)O)CN5CCCC5.Cl	ASUQZHXPGCWMCY-UHFFFAOYSA-N
DG65569	"N-benzyl-1-methyl-7-propan-2-yl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-amine;hydrochloride"	24181915	NSC12517; NSC-12517	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12517	.	.	.	.	384	C25H34ClN	12	451	.	27	2	1	4	"InChI=1S/C25H33N.ClH/c1-18(2)20-11-13-22-21(16-20)12-14-24-23(22)10-7-15-25(24,3)26-17-19-8-5-4-6-9-19;/h4-6,8-9,11,13,16,18,23-24,26H,7,10,12,14-15,17H2,1-3H3;1H"	CC(C)C1=CC2=C(C=C1)C3CCCC(C3CC2)(C)NCC4=CC=CC=C4.Cl	HEWPBVHYNWPTHT-UHFFFAOYSA-N
DG65570	2-[2-[(2-Methoxyacridin-9-yl)amino]ethylamino]ethanol	24181963	38915-78-5; DTXSID20636481; NSC13006; NSC-13006; DS-003839; 2-[2-[(2-methoxyacridin-9-yl)amino]ethylamino]ethanol; 2-({2-[(2-Methoxyacridin-9-yl)amino]ethyl}amino)ethan-1-ol--hydrogen chloride (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13006	.	.	.	.	347.8	C18H22ClN3O2	66.4	355	.	24	4	5	7	"InChI=1S/C18H21N3O2.ClH/c1-23-13-6-7-17-15(12-13)18(20-9-8-19-10-11-22)14-4-2-3-5-16(14)21-17;/h2-7,12,19,22H,8-11H2,1H3,(H,20,21);1H"	COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCNCCO.Cl	DNXHYKAEDGGTER-UHFFFAOYSA-N
DG65571	"5,6-Dimethoxy-N-[2-(piperidin-2-yl)ethyl]quinolin-8-amine--hydrogen iodide (1/1)"	24182013	"5428-60-4; DTXSID40636504; NSC13275; NSC-13275; 5,6-Dimethoxy-N-[2-(piperidin-2-yl)ethyl]quinolin-8-amine--hydrogen iodide (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13275	.	.	.	.	443.3	C18H26IN3O2	55.4	355	.	24	3	5	6	"InChI=1S/C18H25N3O2.HI/c1-22-16-12-15(20-11-8-13-6-3-4-9-19-13)17-14(18(16)23-2)7-5-10-21-17;/h5,7,10,12-13,19-20H,3-4,6,8-9,11H2,1-2H3;1H"	COC1=C(C2=C(C(=C1)NCCC3CCCCN3)N=CC=C2)OC.I	SFXJJDBNSMYEDP-UHFFFAOYSA-N
DG65572	"N~4~-(7-Chloro-3-phenylquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine--hydrogen iodide (1/1)"	24182056	"5431-03-8; DTXSID00636520; NSC13477; NSC-13477; N~4~-(7-Chloro-3-phenylquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine--hydrogen iodide (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13477	.	.	.	.	523.9	C24H31ClIN3	28.2	436	.	29	2	3	9	"InChI=1S/C24H30ClN3.HI/c1-4-28(5-2)15-9-10-18(3)27-24-21-14-13-20(25)16-23(21)26-17-22(24)19-11-7-6-8-12-19;/h6-8,11-14,16-18H,4-5,9-10,15H2,1-3H3,(H,26,27);1H"	CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1C3=CC=CC=C3)Cl.I	OTZHYAWSJGUWHI-UHFFFAOYSA-N
DG65573	1-Tetradecylpyridin-1-ium-3-carboxamide;bromide	24182122	5442-84-2; NSC13835; NSC-13835	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13835	.	.	.	.	399.4	C20H35BrN2O	47	293	.	24	1	2	14	"InChI=1S/C20H34N2O.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-17-14-15-19(18-22)20(21)23;/h14-15,17-18H,2-13,16H2,1H3,(H-,21,23);1H"	CCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N.[Br-]	PDKQYPVFZJXIBB-UHFFFAOYSA-N
DG65574	2-[3-[(6-Chloro-2-methoxyacridin-9-yl)amino]propylamino]ethanol;hydrochloride	24182153	38915-18-3; DTXSID70959718; NSC14071; NSC-14071; 2-({3-[(6-Chloro-2-methoxyacridin-9(10H)-ylidene)amino]propyl}amino)ethan-1-ol--hydrogen chloride (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14071	.	.	.	.	396.3	C19H23Cl2N3O2	66.4	401	.	26	4	5	8	"InChI=1S/C19H22ClN3O2.ClH/c1-25-14-4-6-17-16(12-14)19(22-8-2-7-21-9-10-24)15-5-3-13(20)11-18(15)23-17;/h3-6,11-12,21,24H,2,7-10H2,1H3,(H,22,23);1H"	COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCNCCO.Cl	HPTNFTTURYHANM-UHFFFAOYSA-N
DG65575	"1-[3-[(2,3-Dimethoxy-6-nitroacridin-9-yl)amino]propylamino]-2-methylpropan-2-ol;chloride"	24182209	NSC14657; NSC-14657	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14657	.	.	.	.	463.9	C22H28ClN4O5-	122	587	.	32	3	9	9	"InChI=1S/C22H28N4O5.ClH/c1-22(2,27)13-23-8-5-9-24-21-15-7-6-14(26(28)29)10-17(15)25-18-12-20(31-4)19(30-3)11-16(18)21;/h6-7,10-12,23,27H,5,8-9,13H2,1-4H3,(H,24,25);1H/p-1"	CC(C)(CNCCCNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])O.[Cl-]	VUTWKJOBQDFUAW-UHFFFAOYSA-M
DG65576	"3-[2-[(6-Chloro-2-methoxyacridin-9-yl)amino]ethylamino]propane-1,2-diol;hydrochloride"	24182211	NSC14659; NSC-14659	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14659	.	.	.	.	412.3	C19H23Cl2N3O3	86.6	431	.	27	5	6	8	"InChI=1S/C19H22ClN3O3.ClH/c1-26-14-3-5-17-16(9-14)19(22-7-6-21-10-13(25)11-24)15-4-2-12(20)8-18(15)23-17;/h2-5,8-9,13,21,24-25H,6-7,10-11H2,1H3,(H,22,23);1H"	COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNCC(CO)O.Cl	MXCSLVSVSDKKNT-UHFFFAOYSA-N
DG65577	CID 24182331	24182331	NSC15608; NSC-15608; NSC15609; NSC-15609	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15609	.	.	.	.	356.9	C6H12NaO8Sb+	117	211	.	16	5	8	4	"InChI=1S/C6H10O7.Na.H2O.Sb/c7-1-2(8)3(9)4(10)5(11)6(12)13;;;/h2-5,7,10-11H,1H2,(H,12,13);;1H2;/q-2;+1;;+2"	C(C1C(O[Sb]O1)C(C(C(=O)O)O)O)O.O.[Na+]	XETIDWFADSADOA-UHFFFAOYSA-N
DG65578	6-Chloro-1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-methylthioxanthen-9-one;hydrochloride	24182355	NSC15795; NSC-15795	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15795	.	.	.	.	455.4	C22H28Cl2N2O2S	77.9	547	.	29	3	5	7	"InChI=1S/C22H27ClN2O2S.ClH/c1-5-25(13-22(3,4)27)11-10-24-17-9-6-14(2)21-19(17)20(26)16-8-7-15(23)12-18(16)28-21;/h6-9,12,24,27H,5,10-11,13H2,1-4H3;1H"	CCN(CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC(=C3)Cl)CC(C)(C)O.Cl	LRMGFZIKMBRTFB-UHFFFAOYSA-N
DG65579	Propyl quinacrine mustard	24182496	"Propyl quinacrine mustard; Propylquinacrine mustard dihydrochloride; 10072-27-2; PQM; CHEMBL1967797; DTXSID00905708; NSC17273; NSC-17273; 1, N,N-bis(2-chloroethyl)-N'-(6-chloro-2-methoxy-9-acridinyl)-, dihydrochloride; N,N-Bis(2-chloroethyl)-3-[(6-chloro-2-methoxyacridin-9(10H)-ylidene)amino]propan-1-amine--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17273	.	.	.	.	477.2	C21H25Cl4N3O	37.4	453	.	29	2	4	10	"InChI=1S/C21H24Cl3N3O.ClH/c1-28-16-4-6-19-18(14-16)21(17-5-3-15(24)13-20(17)26-19)25-9-2-10-27(11-7-22)12-8-23;/h3-6,13-14H,2,7-12H2,1H3,(H,25,26);1H"	COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN(CCCl)CCCl.Cl	GRWWEYSVLARNEX-UHFFFAOYSA-N
DG65580	NSC17275	24182498	2-[Bis(2-chloroethyl)aminomethyl]-4-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxy-5-prop-2-enylphenyl]-6-prop-2-enylphenol;hydrochloride; CHEMBL1996735; NSC17275; NSC-17275	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17275	.	.	.	.	610.9	C28H37Cl5N2O2	46.9	564	.	37	3	4	17	"InChI=1S/C28H36Cl4N2O2.ClH/c1-3-5-21-15-23(17-25(27(21)35)19-33(11-7-29)12-8-30)24-16-22(6-4-2)28(36)26(18-24)20-34(13-9-31)14-10-32;/h3-4,15-18,35-36H,1-2,5-14,19-20H2;1H"	C=CCC1=C(C(=CC(=C1)C2=CC(=C(C(=C2)CN(CCCl)CCCl)O)CC=C)CN(CCCl)CCCl)O.Cl	RJTVSFIITKMNEI-UHFFFAOYSA-N
DG65581	"2-[Hydroxy(phenyl)methyl]-N,N-dimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]dodecan-1-aminium chloride"	24183021	"7146-18-1; DTXSID20636663; NSC22994; NSC-22994; 2-[Hydroxy(phenyl)methyl]-N,N-dimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]dodecan-1-aminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	22994	.	.	.	.	472.1	C30H46ClNO	20.2	473	.	33	1	2	16	"InChI=1S/C30H46NO.ClH/c1-4-5-6-7-8-9-10-15-24-29(30(32)28-22-16-12-17-23-28)26-31(2,3)25-18-21-27-19-13-11-14-20-27;/h11-14,16-23,29-30,32H,4-10,15,24-26H2,1-3H3;1H/q+1;/p-1/b21-18+;"	CCCCCCCCCCC(C[N+](C)(C)C/C=C/C1=CC=CC=C1)C(C2=CC=CC=C2)O.[Cl-]	BBWWFHNKOMNRNG-GOSREXKOSA-M
DG65582	"4-Quinolinamine, dihydrochloride"	24183684	"4-Quinolinamine, dihydrochloride; NSC29459; NSC-29459"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	29459	.	.	.	.	475.2	C21H23Cl4N3O	37.4	453	.	29	2	4	9	"InChI=1S/C21H22Cl3N3O.ClH/c1-28-21-5-3-17(12-15(21)14-27(10-7-22)11-8-23)26-19-6-9-25-20-13-16(24)2-4-18(19)20;/h2-6,9,12-13H,7-8,10-11,14H2,1H3,(H,25,26);1H"	COC1=C(C=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)CN(CCCl)CCCl.Cl	FGMBYMQIZGQOSC-UHFFFAOYSA-N
DG65583	"9-(3,4-Dichlorophenyl)purine-2,6-diamine;hydrochloride"	24183689	CHEMBL1983555; NSC29604; NSC-29604	.	.	Investigative Drug(s)	Investigative	Small molecular drug	29604	.	.	.	.	331.6	C11H9Cl3N6	95.6	332	.	20	3	5	1	"InChI=1S/C11H8Cl2N6.ClH/c12-6-2-1-5(3-7(6)13)19-4-16-8-9(14)17-11(15)18-10(8)19;/h1-4H,(H4,14,15,17,18);1H"	C1=CC(=C(C=C1N2C=NC3=C(N=C(N=C32)N)N)Cl)Cl.Cl	YHXVFDYWHYTVMN-UHFFFAOYSA-N
DG65584	"(2,4-Dinitrophenyl)methyl carbamimidothioate;chloride"	24183838	NSC30637; NSC-30637	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30637	.	.	.	.	291.69	C8H8ClN4O4S-	167	327	.	18	2	7	3	"InChI=1S/C8H8N4O4S.ClH/c9-8(10)17-4-5-1-2-6(11(13)14)3-7(5)12(15)16;/h1-3H,4H2,(H3,9,10);1H/p-1"	C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CSC(=N)N.[Cl-]	RUUXKEMQCXREMP-UHFFFAOYSA-M
DG65585	"2-Allyl-4-(6-chloro-2-methoxyacridin-9-ylamino)-6-((diethylamino)methyl)phenol, dihydrochloride"	24183911	"7511-61-7; NSC-31711; DTXSID60636748; NSC31711; 2-Allyl-4-(6-chloro-2-methoxyacridin-9-ylamino)-6-((diethylamino)methyl)phenol, dihydrochloride; 4-[(6-Chloro-2-methoxyacridin-9-yl)amino]-2-[(diethylamino)methyl]-6-(prop-2-en-1-yl)phenol--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	31711	.	.	.	.	512.5	C28H31Cl2N3O2	57.6	647	.	35	3	5	9	"InChI=1S/C28H30ClN3O2.ClH/c1-5-8-18-13-21(14-19(28(18)33)17-32(6-2)7-3)30-27-23-11-9-20(29)15-26(23)31-25-12-10-22(34-4)16-24(25)27;/h5,9-16,33H,1,6-8,17H2,2-4H3,(H,30,31);1H"	CCN(CC)CC1=CC(=CC(=C1O)CC=C)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC.Cl	BZMQTXWIPPYINJ-UHFFFAOYSA-N
DG65586	2-Chloro-5-methyl-8-phenylphenazin-5-ium;methyl sulfate	24184082	CHEMBL1973309; NSC32924; NSC-32924	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32924	.	.	.	.	416.9	C20H17ClN2O4S	91.6	472	.	28	0	5	1	"InChI=1S/C19H14ClN2.CH4O4S/c1-22-18-9-7-14(13-5-3-2-4-6-13)11-16(18)21-17-12-15(20)8-10-19(17)22;1-5-6(2,3)4/h2-12H,1H3;1H3,(H,2,3,4)/q+1;/p-1"	C[N+]1=C2C=CC(=CC2=NC3=C1C=CC(=C3)C4=CC=CC=C4)Cl.COS(=O)(=O)[O-]	BAXZCEWTXBTBBK-UHFFFAOYSA-M
DG65587	"N-(7-chloro-3-methoxyphenazin-1-yl)-N',N'-diethylpropane-1,3-diamine;hydrochloride"	24184086	NSC32930; NSC-32930	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32930	.	.	.	.	409.3	C20H26Cl2N4O	50.3	423	.	27	2	5	8	"InChI=1S/C20H25ClN4O.ClH/c1-4-25(5-2)10-6-9-22-18-12-15(26-3)13-19-20(18)24-16-8-7-14(21)11-17(16)23-19;/h7-8,11-13,22H,4-6,9-10H2,1-3H3;1H"	CCN(CC)CCCNC1=CC(=CC2=NC3=C(C=CC(=C3)Cl)N=C12)OC.Cl	BFLZFIKKOWKPCI-UHFFFAOYSA-N
DG65588	"Acridan, dihydrochloride"	24184090	"Acridan, dihydrochloride; NSC32937; NSC-32937; Benzenamine,10-dihydro-9-acridinyl)-N,N-dimethyl-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32937	.	.	.	.	399.4	C23H24Cl2N2	6.5	447	.	27	1	2	3	"InChI=1S/C23H23ClN2.ClH/c1-4-26-21-11-7-5-9-19(21)23(24,20-10-6-8-12-22(20)26)17-13-15-18(16-14-17)25(2)3;/h5-16H,4H2,1-3H3;1H"	CCN1C2=CC=CC=C2C(C3=CC=CC=C31)(C4=CC=C(C=C4)N(C)C)Cl.Cl	BTXWLNFACRARPI-UHFFFAOYSA-N
DG65589	"Isoquinolinium (8CI),2'-decamethylenedi-, dibromide"	24184168	"MLS002703060; 1465-74-3; DTXSID90636832; PUBCHEM_24184168; NSC33434; NSC-33434; Isoquinolinium (8CI),2'-decamethylenedi-, dibromide; Isoquinolinium,2'-decamethylenebis-, bromide, dihydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33434	.	.	.	.	478.5	C28H34BrN2+	7.8	422	.	31	0	1	11	"InChI=1S/C28H34N2.BrH/c1(3-5-11-19-29-21-17-25-13-7-9-15-27(25)23-29)2-4-6-12-20-30-22-18-26-14-8-10-16-28(26)24-30;/h7-10,13-18,21-24H,1-6,11-12,19-20H2;1H/q+2;/p-1"	C1=CC=C2C=[N+](C=CC2=C1)CCCCCCCCCC[N+]3=CC4=CC=CC=C4C=C3.[Br-]	MCKBJUDGVNKWAP-UHFFFAOYSA-M
DG65590	"1,1-Bis(2-hydroxyethyl)-2-pentadecyl-4,5-dihydro-1H-imidazol-1-ium chloride"	24184220	"6265-43-6; DTXSID20636845; NSC33574; NSC-33574; 1,1-Bis(2-hydroxyethyl)-2-pentadecyl-4,5-dihydro-1H-imidazol-1-ium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33574	.	.	.	.	405.1	C22H45ClN2O2	52.8	352	.	27	2	4	18	"InChI=1S/C22H45N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-23-16-17-24(22,18-20-25)19-21-26;/h25-26H,2-21H2,1H3;1H/q+1;/p-1"	CCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CCO.[Cl-]	XSNYFBOKNHNFTJ-UHFFFAOYSA-M
DG65591	"4-[4-(dibutylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride"	24184222	NSC33577; NSC-33577	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33577	.	.	.	.	388	C23H34ClN3	30.3	382	.	27	2	3	10	"InChI=1S/C23H33N3.ClH/c1-5-7-17-26(18-8-6-2)22-15-11-20(12-16-22)23(24)19-9-13-21(14-10-19)25(3)4;/h9-16,24H,5-8,17-18H2,1-4H3;1H"	CCCCN(CCCC)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl	CJRPCHQWAFGBMM-UHFFFAOYSA-N
DG65592	"N-(2,3-dimethoxy-6-nitroacridin-9-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine;chloride"	24184591	NSC34927; NSC-34927	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34927	.	.	.	.	538.1	C29H34ClN4O4-	92.4	696	.	38	1	8	11	"InChI=1S/C29H34N4O4.ClH/c1-5-32(6-2)15-14-21(20-10-8-7-9-11-20)19-30-29-23-13-12-22(33(34)35)16-25(23)31-26-18-28(37-4)27(36-3)17-24(26)29;/h7-13,16-18,21H,5-6,14-15,19H2,1-4H3,(H,30,31);1H/p-1"	CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])C4=CC=CC=C4.[Cl-]	JBANJYHYPHFVFW-UHFFFAOYSA-M
DG65593	Ethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium;iodide	24185840	NSC43684; NSC-43684	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43684	.	.	.	.	665.7	C34H46IN6+	51.6	579	.	41	0	5	17	"InChI=1S/C34H46N6.HI/c1-3-39(31-21-11-15-25-35-31,32-22-12-16-26-36-32)29-19-9-7-5-6-8-10-20-30-40(4-2,33-23-13-17-27-37-33)34-24-14-18-28-38-34;/h11-18,21-28H,3-10,19-20,29-30H2,1-2H3;1H/q+2;/p-1"	CC[N+](CCCCCCCCCC[N+](CC)(C1=CC=CC=N1)C2=CC=CC=N2)(C3=CC=CC=N3)C4=CC=CC=N4.[I-]	VZSPHRCKCNAPEQ-UHFFFAOYSA-M
DG65594	"7,8-Dichloro-10-[3-(dimethylamino)propyl]-4-hydroxybenzo[g]pteridin-2(10H)-one--hydrogen chloride (1/1)"	24185927	"97864-38-5; DTXSID80913609; NSC44684; NSC-44684; 7,8-Dichloro-10-[3-(dimethylamino)propyl]-4-hydroxybenzo[g]pteridin-2(10H)-one--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	44684	.	.	.	.	404.7	C15H16Cl3N5O2	77.4	607	.	25	2	4	4	"InChI=1S/C15H15Cl2N5O2.ClH/c1-21(2)4-3-5-22-11-7-9(17)8(16)6-10(11)18-12-13(22)19-15(24)20-14(12)23;/h6-7H,3-5H2,1-2H3,(H,20,23,24);1H"	CN(C)CCCN1C2=CC(=C(C=C2N=C3C1=NC(=O)NC3=O)Cl)Cl.Cl	HNRHHFLHZSXOJL-UHFFFAOYSA-N
DG65595	"N-benzyl-N,2,4,4-tetramethylpentyl)phenoxy)ethoxy)ethanaminium chloride"	24186107	"NSC45831; NSC-45831; N-benzyl-N,2,4,4-tetramethylpentyl)phenoxy)ethoxy)ethanaminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45831	.	.	.	.	462.1	C28H44ClNO2	18.5	480	.	32	0	3	13	"InChI=1S/C28H44NO2.ClH/c1-27(2,3)23-28(4,5)21-24-13-15-26(16-14-24)31-20-19-30-18-17-29(6,7)22-25-11-9-8-10-12-25;/h8-16H,17-23H2,1-7H3;1H/q+1;/p-1"	CC(C)(C)CC(C)(C)CC1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]	PVHBPHNVNIBLFU-UHFFFAOYSA-M
DG65596	1-[2-(Dimethylamino)ethylamino]-4-nitrothioxanthen-9-one;chloride	24186124	NSC46085; NSC-46085	.	.	Investigative Drug(s)	Investigative	Small molecular drug	46085	.	.	.	.	378.9	C17H17ClN3O3S-	104	482	.	25	1	7	4	"InChI=1S/C17H17N3O3S.ClH/c1-19(2)10-9-18-12-7-8-13(20(22)23)17-15(12)16(21)11-5-3-4-6-14(11)24-17;/h3-8,18H,9-10H2,1-2H3;1H/p-1"	CN(C)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O.[Cl-]	AYTRJONFOQGXKE-UHFFFAOYSA-M
DG65597	1-[1-(Diethylamino)propan-2-ylamino]-4-nitrothioxanthen-9-one;chloride	24186469	NSC51146; NSC-51146; WIN 20226	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51146	.	.	.	.	420.9	C20H23ClN3O3S-	104	537	.	28	1	7	6	"InChI=1S/C20H23N3O3S.ClH/c1-4-22(5-2)12-13(3)21-15-10-11-16(23(25)26)20-18(15)19(24)14-8-6-7-9-17(14)27-20;/h6-11,13,21H,4-5,12H2,1-3H3;1H/p-1"	CCN(CC)CC(C)NC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O.[Cl-]	GSOJJHJLNPCZCN-UHFFFAOYSA-M
DG65598	10-[3-[1-(2-Hydroxyethoxyethyl)-4-piperazinyl]propyl]-2-trifluoromethylphenothiazine dihydrochloride	24186696	"Fluorophenothiazine dihydrochloride; NDR A-3682; SKF 7261; SKF 7621; 1827-91-4; 238A; CHEMBL2003398; NDR A3682; DTXSID10939615; NSC53638; NSC-53638; WLN: T C666 BN ISJ EXFFF B3- AT6N DNTJ D2O2Q &GH 2; 10-[3-[1-(2-Hydroxyethoxyethyl)-4-piperazinyl]propyl]-2-trifluoromethylphenothiazine 2HCl; 10-[3-[1-(2-Hydroxyethoxyethyl)-4-piperazinyl]propyl]-2-trifluoromethylphenothiazine dihydrochloride; 2-[2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethoxy]ethan-1-ol--hydrogen chloride (1/1); Ethanol, 2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-1-piperazinyl]ethoxy]-dihydrochloride; Piperazine, 1-(2-hydroxyethoxyethyl)-4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl] dihydrochloride; Piperazine, 1-(2-hydroxyethoxyethyl)-4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	53638	.	.	.	.	518	C24H31ClF3N3O2S	64.5	592	.	34	2	9	9	"InChI=1S/C24H30F3N3O2S.ClH/c25-24(26,27)19-6-7-23-21(18-19)30(20-4-1-2-5-22(20)33-23)9-3-8-28-10-12-29(13-11-28)14-16-32-17-15-31;/h1-2,4-7,18,31H,3,8-17H2;1H"	C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCOCCO.Cl	JESCMLGRQMHNDA-UHFFFAOYSA-N
DG65599	2-[5-[(6-Methoxyquinolin-8-yl)amino]pentyl]guanidine;nitric acid	24186907	NSC56633; NSC-56633	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56633	.	.	.	.	364.4	C16H24N6O4	165	370	.	26	4	7	8	"InChI=1S/C16H23N5O.HNO3/c1-22-13-10-12-6-5-9-20-15(12)14(11-13)19-7-3-2-4-8-21-16(17)18;2-1(3)4/h5-6,9-11,19H,2-4,7-8H2,1H3,(H4,17,18,21);(H,2,3,4)"	COC1=CC(=C2C(=C1)C=CC=N2)NCCCCCN=C(N)N.[N+](=O)(O)[O-]	MFJALNWZUBAFAU-UHFFFAOYSA-N
DG65600	"4-[(5,6-dichloro-1H-benzimidazol-2-yl)methylamino]benzoic acid;hydrochloride"	24187152	"17033-59-9; DTXSID80637338; NSC60044; NSC-60044; 4-{[(5,6-Dichloro-1H-benzimidazol-2-yl)methyl]amino}benzoic acid--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	60044	.	.	.	.	372.6	C15H12Cl3N3O2	78	404	.	23	4	4	4	"InChI=1S/C15H11Cl2N3O2.ClH/c16-10-5-12-13(6-11(10)17)20-14(19-12)7-18-9-3-1-8(2-4-9)15(21)22;/h1-6,18H,7H2,(H,19,20)(H,21,22);1H"	C1=CC(=CC=C1C(=O)O)NCC2=NC3=CC(=C(C=C3N2)Cl)Cl.Cl	ROIVUENVOLNBNN-UHFFFAOYSA-N
DG65601	4-Hexadecyl-4-methylmorpholin-4-ium methyl sulfate	24187598	6964-15-4; DTXSID80989748; NSC66323; NSC-66323; 4-Hexadecyl-4-methylmorpholin-4-ium methyl sulfate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66323	.	.	.	.	437.7	C22H47NO5S	84	339	.	29	0	5	15	"InChI=1S/C21H44NO.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(2)18-20-23-21-19-22;1-5-6(2,3)4/h3-21H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1"	CCCCCCCCCCCCCCCC[N+]1(CCOCC1)C.COS(=O)(=O)[O-]	DNRNWJIWFBADEU-UHFFFAOYSA-M
DG65602	8-[Bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-methylchromen-2-one;hydrochloride	24188551	"14522-19-1; CHEMBL1974997; DTXSID30637489; NSC77039; NSC-77039; DS-004106; 2H-1-BENZOPYRAN-2-ONE,8-[[BIS(2-CHLOROETHYL)AMINO]METHYL]-7-HYDROXY-4-METHYL-, HYDROCHLORIDE (1:1); 8-{[Bis(2-chloroethyl)amino]methyl}-7-hydroxy-4-methyl-2H-1-benzopyran-2-one--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	77039	.	.	.	.	366.7	C15H18Cl3NO3	49.8	396	.	22	2	4	6	"InChI=1S/C15H17Cl2NO3.ClH/c1-10-8-14(20)21-15-11(10)2-3-13(19)12(15)9-18(6-4-16)7-5-17;/h2-3,8,19H,4-7,9H2,1H3;1H"	CC1=CC(=O)OC2=C1C=CC(=C2CN(CCCl)CCCl)O.Cl	UNHNQQCNQQBVAN-UHFFFAOYSA-N
DG65603	6-Chloro-9-[5-(diethylamino)pentan-2-ylamino]acridin-2-ol;hydrochloride	24188580	NSC77643; NSC-77643	.	.	Investigative Drug(s)	Investigative	Small molecular drug	77643	.	.	.	.	422.4	C22H29Cl2N3O	48.4	447	.	28	3	4	8	"InChI=1S/C22H28ClN3O.ClH/c1-4-26(5-2)12-6-7-15(3)24-22-18-10-8-16(23)13-21(18)25-20-11-9-17(27)14-19(20)22;/h8-11,13-15,27H,4-7,12H2,1-3H3,(H,24,25);1H"	CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)O.Cl	CPISHJJVECCICH-UHFFFAOYSA-N
DG65604	"3H-Pyrrolo[3, 2,3,6,7-tetramethyl-, iodide"	24188629	"NSC78018; NSC-78018; 3H-Pyrrolo[3, 2,3,6,7-tetramethyl-, iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	78018	.	.	.	.	352.21	C15H17IN2	8.8	291	.	18	0	1	0	"InChI=1S/C15H17N2.HI/c1-10-5-6-12-13-9-11(2)17(4)15(13)8-7-14(12)16(10)3;/h5-9H,1-4H3;1H/q+1;/p-1"	CC1=[N+](C2=C(C=C1)C3=C(C=C2)N(C(=C3)C)C)C.[I-]	LUJQRRNPLBVUCY-UHFFFAOYSA-M
DG65605	"1H-Naphth[2, 4,9-dihydro-1,2-dimethyl-3-(2-methylpropyl)-4,9-dioxo-, iodide"	24188900	"CHEMBL1976482; NSC80466; NSC-80466; 1H-Naphth[2, 4,9-dihydro-1,2-dimethyl-3-(2-methylpropyl)-4,9-dioxo-, iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80466	.	.	.	.	410.25	C17H19IN2O2	43	448	.	22	0	3	2	"InChI=1S/C17H19N2O2.HI/c1-10(2)9-19-11(3)18(4)14-15(19)17(21)13-8-6-5-7-12(13)16(14)20;/h5-8,10H,9H2,1-4H3;1H/q+1;/p-1"	CC1=[N+](C2=C(N1CC(C)C)C(=O)C3=CC=CC=C3C2=O)C.[I-]	KUFZQQLYCHGYNI-UHFFFAOYSA-M
DG65606	"N''-[(E)-([1,1'-Biphenyl]-4-yl)methylidene]-N-nitrocarbonohydrazonic diamide"	24189043	"41467-89-4; DTXSID80637535; NSC82655; NSC-82655; N''-[(E)-([1,1'-Biphenyl]-4-yl)methylidene]-N-nitrocarbonohydrazonic diamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82655	.	.	.	.	283.29	C14H13N5O2	109	391	2.7	21	2	4	4	"InChI=1S/C14H13N5O2/c15-14(18-19(20)21)17-16-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H,(H3,15,17,18)/b16-10+"	C1=CC=C(C=C1)C2=CC=C(C=C2)/C=N/N=C(\\N)/N[N+](=O)[O-]	NNQOUGSRYAOXIV-MHWRWJLKSA-N
DG65607	(2-Ethoxyethyl)triphenylphosphoniuM broMide	24189128	(2-Ethoxyethyl)triphenylphosphoniuM broMide; 25361-69-7; 2-ethoxyethyl(triphenyl)phosphanium;bromide; SCHEMBL17511368; DTXSID70637549; NSC84061; NSC-84061; (2-Ethoxyethyl)(triphenyl)phosphanium bromide; C78099	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84061	.	.	.	.	415.3	C22H24BrOP	9.2	292	.	25	0	2	7	"InChI=1S/C22H24OP.BrH/c1-2-23-18-19-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17H,2,18-19H2,1H3;1H/q+1;/p-1"	CCOCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]	SXPXVPGJBRZVLW-UHFFFAOYSA-M
DG65608	(2-(Benzyloxy)ethyl)triphenylphosphonium bromide	24189130	"103535-06-4; (2-(Benzyloxy)ethyl)triphenylphosphonium bromide; Phosphonium,triphenyl[2-(phenylmethoxy)ethyl]-, bromide (1:1); triphenyl(2-phenylmethoxyethyl)phosphanium;bromide; [2-(Benzyloxy)ethyl](triphenyl)phosphanium bromide; SCHEMBL19715567; DTXSID80637550; NSC84064; NSC-84064"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84064	.	.	.	.	477.4	C27H26BrOP	9.2	394	.	30	0	2	8	"InChI=1S/C27H26OP.BrH/c1-5-13-24(14-6-1)23-28-21-22-29(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27;/h1-20H,21-23H2;1H/q+1;/p-1"	C1=CC=C(C=C1)COCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]	BICVQFBELAVBIE-UHFFFAOYSA-M
DG65609	"2H-Tetrazolium,5-diphenyl-chloride"	24189419	"NSC89172; 2H-Tetrazolium,5-diphenyl- chloride; NSC-89172"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89172	.	.	.	.	410.9	C25H19ClN4	34.6	493	.	30	0	3	4	InChI=1S/C25H19N4.ClH/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)29-27-25(21-14-6-2-7-15-21)26-28(29)22-16-8-3-9-17-22;/h1-19H;1H/q+1;/p-1	C1=CC=C(C=C1)C2=CC=CC=C2[N+]3=NC(=NN3C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]	ULTPUDJGJBDADN-UHFFFAOYSA-M
DG65610	Menisperine iodide	24189461	"Menisperine iodide; 17669-18-0; (6aS)-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-11-ol;iodide; CHEMBL508300; (+)-N-methylisocorydinium iodide; DTXSID40637591; NSC90558; NSC-90558; (6aS)-11-Hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90558	.	.	.	.	483.3	C21H26INO4	47.9	512	.	27	1	5	3	"InChI=1S/C21H25NO4.HI/c1-22(2)9-8-13-11-16(25-4)21(26-5)19-17(13)14(22)10-12-6-7-15(24-3)20(23)18(12)19;/h6-7,11,14H,8-10H2,1-5H3;1H/t14-;/m0./s1"	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC)C.[I-]	HPIWMGFECDATDK-UQKRIMTDSA-N
DG65611	"3-Methyl-3,5-diphenyl-1,3-thiazol-3-ium-2-thione;iodide"	24189815	CHEMBL1968573; NSC96517; NSC-96517	.	.	Investigative Drug(s)	Investigative	Small molecular drug	96517	.	.	.	.	411.3	C16H14INS2	57.4	378	.	20	0	3	2	"InChI=1S/C16H14NS2.HI/c1-17(14-10-6-3-7-11-14)12-15(19-16(17)18)13-8-4-2-5-9-13;/h2-12H,1H3;1H/q+1;/p-1"	C[N+]1(C=C(SC1=S)C2=CC=CC=C2)C3=CC=CC=C3.[I-]	KHIIQMNLHGUWOG-UHFFFAOYSA-M
DG65612	"4-[[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]iminomethyl]-N,N-bis(2-chloroethyl)-3-methylaniline;hydrochloride"	24190089	"19749-63-4; DTXSID70637726; NSC100770; NSC-100770; 4-[(E)-{[4-(2-Benzyl-1,3-thiazol-4-yl)phenyl]imino}methyl]-N,N-bis(2-chloroethyl)-3-methylaniline--hydrogen chloride (1/1); Benzenamine,N-bis(2-chloroethyl)-3-methyl-4-[[[4-[2-(phenylmethyl)-4-thiazoyl]phenyl]imino]methyl]-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	100770	.	.	.	.	545	C28H28Cl3N3S	56.7	601	.	35	1	4	10	"InChI=1S/C28H27Cl2N3S.ClH/c1-21-17-26(33(15-13-29)16-14-30)12-9-24(21)19-31-25-10-7-23(8-11-25)27-20-34-28(32-27)18-22-5-3-2-4-6-22;/h2-12,17,19-20H,13-16,18H2,1H3;1H"	CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=CC=C(C=C2)C3=CSC(=N3)CC4=CC=CC=C4.Cl	LDUCWEKRZVOYAS-UHFFFAOYSA-N
DG65613	"1, N,N'-bis[p-[bis(2-chloroethyl)amino]benzyl]-, dihydrochloride"	24190229	"CHEMBL1999935; NSC103508; NSC-103508; 1, N,N'-bis[p-[bis(2-chloroethyl)amino]benzyl]-, dihydrochloride; 1, N,N'-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	103508	.	.	.	.	570.8	C25H37Cl5N4	30.5	406	.	34	3	4	18	"InChI=1S/C25H36Cl4N4.ClH/c26-10-16-32(17-11-27)24-6-2-22(3-7-24)20-30-14-1-15-31-21-23-4-8-25(9-5-23)33(18-12-28)19-13-29;/h2-9,30-31H,1,10-21H2;1H"	C1=CC(=CC=C1CNCCCNCC2=CC=C(C=C2)N(CCCl)CCCl)N(CCCl)CCCl.Cl	BJPYEHGIXHYUKX-UHFFFAOYSA-N
DG65614	(3-Nitrophenyl)(phenyl)iodanium bromide	24190300	23351-89-5; DTXSID80637797; NSC106640; NSC-106640; (3-Nitrophenyl)(phenyl)iodanium bromide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106640	.	.	.	.	406.01	C12H9BrINO2	45.8	236	.	17	0	3	2	InChI=1S/C12H9INO2.BrH/c15-14(16)12-8-4-7-11(9-12)13-10-5-2-1-3-6-10;/h1-9H;1H/q+1;/p-1	C1=CC=C(C=C1)[I+]C2=CC=CC(=C2)[N+](=O)[O-].[Br-]	YADZVEBHDOVDJJ-UHFFFAOYSA-M
DG65615	Bis(2-methoxy-5-nitrophenyl)iodanium;bromide	24190303	CHEMBL1984983; NSC106648; NSC-106648	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106648	.	.	.	.	511.06	C14H12BrIN2O6	110	389	.	24	0	7	4	"InChI=1S/C14H12IN2O6.BrH/c1-22-13-5-3-9(16(18)19)7-11(13)15-12-8-10(17(20)21)4-6-14(12)23-2;/h3-8H,1-2H3;1H/q+1;/p-1"	COC1=C(C=C(C=C1)[N+](=O)[O-])[I+]C2=C(C=CC(=C2)[N+](=O)[O-])OC.[Br-]	XYCGNDHPWKSJED-UHFFFAOYSA-M
DG65616	"4-[(2,4-Diaminopyrimidin-5-yl)methyl-methyl-amino]benzoic acid"	24190776	"20781-12-8; DTXSID50637921; NSC114514; NSC-114514; DS-005174; 4-[(2,4-diaminopyrimidin-5-yl)methyl-methyl-amino]benzoic acid; 4-{[(2,4-Diaminopyrimidin-5-yl)methyl](methyl)amino}benzoic acid--hydrogen bromide (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114514	.	.	.	.	354.2	C13H16BrN5O2	118	333	.	21	4	7	4	"InChI=1S/C13H15N5O2.BrH/c1-18(7-9-6-16-13(15)17-11(9)14)10-4-2-8(3-5-10)12(19)20;/h2-6H,7H2,1H3,(H,19,20)(H4,14,15,16,17);1H"	CN(CC1=CN=C(N=C1N)N)C2=CC=C(C=C2)C(=O)O.Br	MKMPEIZCHMFFKL-UHFFFAOYSA-N
DG65617	"4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;hydrochloride"	24191132	NSC120050; NSC-120050	.	.	Investigative Drug(s)	Investigative	Small molecular drug	120050	.	.	.	.	213.62	C7H8ClN5O	111	221	.	14	4	4	1	"InChI=1S/C7H7N5O.ClH/c8-5-4-3(6(9)13)1-10-7(4)12-2-11-5;/h1-2H,(H2,9,13)(H3,8,10,11,12);1H"	C1=C(C2=C(N=CN=C2N1)N)C(=O)N.Cl	KGIXBIWPBJXGOH-UHFFFAOYSA-N
DG65618	2-(9-Methylpentadecan-7-ylamino)ethyl 4-nitrobenzoate;hydrochloride	24191363	CHEMBL1965508; NSC121129; NSC-121129	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121129	.	.	.	.	471.1	C25H43ClN2O4	84.2	473	.	32	2	5	18	"InChI=1S/C25H42N2O4.ClH/c1-4-6-8-10-12-21(3)20-23(13-11-9-7-5-2)26-18-19-31-25(28)22-14-16-24(17-15-22)27(29)30;/h14-17,21,23,26H,4-13,18-20H2,1-3H3;1H"	CCCCCCC(C)CC(CCCCCC)NCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].Cl	FVFWVEMTLBWZHH-UHFFFAOYSA-N
DG65619	"N,N-bis(2-chloroethyl)-3-methyl-4-(naphthalen-2-yliminomethyl)aniline;hydrochloride"	24191452	NSC121879; NSC-121879	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121879	.	.	.	.	421.8	C22H23Cl3N2	15.6	436	.	27	1	2	7	"InChI=1S/C22H22Cl2N2.ClH/c1-17-14-22(26(12-10-23)13-11-24)9-7-20(17)16-25-21-8-6-18-4-2-3-5-19(18)15-21;/h2-9,14-16H,10-13H2,1H3;1H"	CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=CC3=CC=CC=C3C=C2.Cl	MJOYPAVVHXOXPI-UHFFFAOYSA-N
DG65620	"1-[3-Chloro-4-(4-phenylbutyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride"	24191814	"15986-26-2; DTXSID20638066; NSC128184; NSC-128184; 1-[3-Chloro-4-(4-phenylbutyl)phenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128184	.	.	.	.	420.4	C21H27Cl2N5	80	553	.	28	3	1	6	"InChI=1S/C21H26ClN5.ClH/c1-21(2)26-19(23)25-20(24)27(21)17-13-12-16(18(22)14-17)11-7-6-10-15-8-4-3-5-9-15;/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H4,23,24,25,26);1H"	CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=CC=CC=C3)Cl)N)N)C.Cl	OZKRFLRSUHXGBX-UHFFFAOYSA-N
DG65621	4-Tert-butyl-2-cyclohexyl-6-[(dimethylamino)methyl]phenol;hydrochloride	24192538	CHEMBL1965581; NSC141103; NSC-141103	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141103	.	.	.	.	325.9	C19H32ClNO	23.5	314	.	22	2	2	4	"InChI=1S/C19H31NO.ClH/c1-19(2,3)16-11-15(13-20(4)5)18(21)17(12-16)14-9-7-6-8-10-14;/h11-12,14,21H,6-10,13H2,1-5H3;1H"	CC(C)(C)C1=CC(=C(C(=C1)C2CCCCC2)O)CN(C)C.Cl	CWUYYTWRNOSHLE-UHFFFAOYSA-N
DG65622	Adriamycin nicotinate	24193195	"51898-40-9; Adriamycin nicotinate; Adriamycin, monohydrochloride; DTXSID80638300; NSC149583; NSC-149583; 2-{(2S,4S)-4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}-2-oxoethyl pyridine-3-carboxylate--hydrogen chloride (1/1); 3-Pyridinecarboxylic acid,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl ester, monohydrochloride, (2S-cis)- (MF1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	149583	.	.	.	.	685.1	C33H33ClN2O12	225	1220	.	48	6	14	8	"InChI=1S/C33H32N2O12.ClH/c1-14-27(37)18(34)9-22(46-14)47-20-11-33(43,21(36)13-45-32(42)15-5-4-8-35-12-15)10-17-24(20)31(41)26-25(29(17)39)28(38)16-6-3-7-19(44-2)23(16)30(26)40;/h3-8,12,14,18,20,22,27,37,39,41,43H,9-11,13,34H2,1-2H3;1H/t14 ,18 ,20-,22 ,27 ,33-;/m0./s1"	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC(=O)C6=CN=CC=C6)O)N)O.Cl	DFTYWNVALAXKHG-PAMQHEOOSA-N
DG65623	"Adriamycin 14-octanoate, hydrochloride"	24193197	"51898-39-6; Doxorubicin 14-octanoate HCl; Adriamycin 14-octanoate, hydrochloride; Adriamycin octanoate; NSC-149584; DTXSID70966220; NSC149584; 2-{4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}-2-oxoethyl octanoate--hydrogen chloride (1/1); Octanoic acid,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl ester, hydrochloride, (2S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	149584	.	.	.	.	706.2	C35H44ClNO12	212	1180	.	49	6	13	13	"InChI=1S/C35H43NO12.ClH/c1-4-5-6-7-8-12-24(38)46-16-23(37)35(44)14-19-27(22(15-35)48-25-13-20(36)30(39)17(2)47-25)34(43)29-28(32(19)41)31(40)18-10-9-11-21(45-3)26(18)33(29)42;/h9-11,17,20,22,25,30,39,41,43-44H,4-8,12-16,36H2,1-3H3;1H/t17 ,20 ,22-,25 ,30 ,35-;/m0./s1"	CCCCCCCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)N)O.Cl	PCIHZBKBBKWVRO-WLMNPPFISA-N
DG65624	Adriamycin benzoate	24193199	"41962-28-1; Adriamycin benzoate; DTXSID40638301; NSC149585; NSC-149585; 2-{(2S,4S)-4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}-2-oxoethyl benzoate--hydrogen chloride (1/1); 5, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-8-[[benzoyloxy]acetyl]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)- (MF1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	149585	.	.	.	.	684.1	C34H34ClNO12	212	1210	.	48	6	13	8	"InChI=1S/C34H33NO12.ClH/c1-15-28(37)19(35)11-23(46-15)47-21-13-34(43,22(36)14-45-33(42)16-7-4-3-5-8-16)12-18-25(21)32(41)27-26(30(18)39)29(38)17-9-6-10-20(44-2)24(17)31(27)40;/h3-10,15,19,21,23,28,37,39,41,43H,11-14,35H2,1-2H3;1H/t15 ,19 ,21-,23 ,28 ,34-;/m0./s1"	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC(=O)C6=CC=CC=C6)O)N)O.Cl	MIYPZEOVBCFNMU-JEVKMULKSA-N
DG65625	"2-Propenone, hydrobromide, (Z)-"	24193247	"CHEMBL2005727; 2-Propenone, hydrobromide, (Z)-; NSC150311; NSC-150311"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150311	.	.	.	.	467.2	C20H21Br2NO2	29.5	431	.	25	1	3	5	"InChI=1S/C20H20BrNO2.BrH/c21-19-8-6-17(7-9-19)20(23)18(14-16-4-2-1-3-5-16)15-22-10-12-24-13-11-22;/h1-9,14H,10-13,15H2;1H/b18-14-;"	C1COCCN1C/C(=C/C2=CC=CC=C2)/C(=O)C3=CC=C(C=C3)Br.Br	WBINJDOUDKYOKE-NYAKATHWSA-N
DG65626	1-Tetradecylpyridin-1-ium-4-carboxamide;bromide	24193325	NSC151060; AKOS024429241; MCULE-2252227415; NSC-151060	.	.	Investigative Drug(s)	Investigative	Small molecular drug	151060	.	.	.	.	399.4	C20H35BrN2O	47	285	.	24	1	2	14	"InChI=1S/C20H34N2O.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-17-14-19(15-18-22)20(21)23;/h14-15,17-18H,2-13,16H2,1H3,(H-,21,23);1H"	CCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(=O)N.[Br-]	LJSRDWAEJDLUSN-UHFFFAOYSA-N
DG65627	Dihydrocoralyne sulfoacetate	24193635	Dihydrocoralyne sulfoacetate; CHEMBL2001055; NSC154889; NSC191961; NSC-154889; NSC-191961	.	.	Investigative Drug(s)	Investigative	Small molecular drug	191961	.	.	.	.	505.5	C24H27NO9S	144	668	.	35	1	9	5	"InChI=1S/C22H24NO4.C2H4O5S/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18;3-2(4)1-8(5,6)7/h8-12H,6-7H2,1-5H3;1H2,(H,3,4)(H,5,6,7)/q+1;/p-1"	CC1=[N+]2CCC3=CC(=C(C=C3C2=CC4=CC(=C(C=C14)OC)OC)OC)OC.C(C(=O)[O-])S(=O)(=O)O	PFWOYQZDHZOKEE-UHFFFAOYSA-M
DG65628	"4-[(3-chlorophenyl)iminomethyl]-N,N-bis(3-chloropropyl)aniline"	24193638	"60625-48-1; CHEMBL1997679; DTXSID60638383; NSC154894; NSC-154894; DS-005182; 4-[(3-chlorophenyl)iminomethyl]-N,N-bis(3-chloropropyl)aniline; 4-{(E)-[(3-Chlorophenyl)imino]methyl}-N,N-bis(3-chloropropyl)aniline--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	154894	.	.	.	.	420.2	C19H22Cl4N2	15.6	349	.	25	1	2	9	"InChI=1S/C19H21Cl3N2.ClH/c20-10-2-12-24(13-3-11-21)19-8-6-16(7-9-19)15-23-18-5-1-4-17(22)14-18;/h1,4-9,14-15H,2-3,10-13H2;1H"	C1=CC(=CC(=C1)Cl)N=CC2=CC=C(C=C2)N(CCCCl)CCCCl.Cl	ADOKPIXPXIWSKR-UHFFFAOYSA-N
DG65629	"4-((3-chlorophenylimino)methyl)-N, hydrochloride"	24193640	"60625-50-5; CHEMBL1981334; DTXSID80638385; NSC154896; NSC-154896; 4-((3-chlorophenylimino)methyl)-N, hydrochloride; 4-{(E)-[(3-Chlorophenyl)imino]methyl}-N,N-bis(3-chloropropyl)-3-methylaniline--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	154896	.	.	.	.	434.2	C20H24Cl4N2	15.6	383	.	26	1	2	9	"InChI=1S/C20H23Cl3N2.ClH/c1-16-13-20(25(11-3-9-21)12-4-10-22)8-7-17(16)15-24-19-6-2-5-18(23)14-19;/h2,5-8,13-15H,3-4,9-12H2,1H3;1H"	CC1=C(C=CC(=C1)N(CCCCl)CCCCl)C=NC2=CC(=CC=C2)Cl.Cl	SQBYINFHSFGZQP-UHFFFAOYSA-N
DG65630	"1-Methyl-3-phenylanthra[1,9-bc]thiopyran-3-ium chloride"	24193713	"41135-00-6; NSC156526; DTXSID20638400; NSC-156526; Anthra[1, 1-methyl-3-phenyl-, chloride; 1-Methyl-3-phenylanthra[1,9-bc]thiopyran-3-ium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	156526	.	.	.	.	360.9	C23H17ClS	1	488	.	25	0	1	1	"InChI=1S/C23H17S.ClH/c1-16-15-24(19-10-3-2-4-11-19)21-13-7-9-18-14-17-8-5-6-12-20(17)22(16)23(18)21;/h2-15H,1H3;1H/q+1;/p-1"	CC1=C[S+](C2=CC=CC3=CC4=CC=CC=C4C1=C32)C5=CC=CC=C5.[Cl-]	VMKSVEZAPHWOQO-UHFFFAOYSA-M
DG65631	"1, N-9-acridinyl-, monohydrochloride"	24194215	"37045-34-4; CHEMBL1980476; DTXSID80638461; NSC165707; 1, N-9-acridinyl-, monohydrochloride; NSC-165707; N~1~-(Acridin-9-yl)benzene-1,4-diamine--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	165707	.	.	.	.	321.8	C19H16ClN3	50.9	342	.	23	3	3	2	"InChI=1S/C19H15N3.ClH/c20-13-9-11-14(12-10-13)21-19-15-5-1-3-7-17(15)22-18-8-4-2-6-16(18)19;/h1-12H,20H2,(H,21,22);1H"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)N.Cl	VPURWASZOVQHLK-UHFFFAOYSA-N
DG65632	"Ethanol,2'-[[4-[[(3-chlorophenyl)imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester), monohydrochloride"	24194260	"56966-92-8; CHEMBL1984067; DTXSID20638480; NSC166224; NSC-166224; [(4-{(E)-[(3-Chlorophenyl)imino]methyl}phenyl)azanediyl]di(ethane-2,1-diyl) dimethanesulfonate--hydrogen chloride (1/1); Ethanol,2'-[[4-[[(3-chlorophenyl)imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester), monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166224	.	.	.	.	511.4	C19H24Cl2N2O6S2	119	702	.	31	1	8	11	"InChI=1S/C19H23ClN2O6S2.ClH/c1-29(23,24)27-12-10-22(11-13-28-30(2,25)26)19-8-6-16(7-9-19)15-21-18-5-3-4-17(20)14-18;/h3-9,14-15H,10-13H2,1-2H3;1H"	CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C=NC2=CC(=CC=C2)Cl.Cl	KFQGOULRNSNHQS-UHFFFAOYSA-N
DG65633	NSC166237	24194270	"Ethanol,2'-[[3-methyl-4-[[[4-(2-methyl-4-thiazolyl)phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester), monohydrochloride; 58423-50-0; CHEMBL1984907; DTXSID60638489; NSC166237; NSC-166237; ({3-Methyl-4-[(E)-{[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imino}methyl]phenyl}azanediyl)di(ethane-2,1-diyl) dimethanesulfonate--hydrogen chloride (1/1); Ethanol,2'-[[3-methyl-4-[[[4-(2-methyl-4-thiazolyl)phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester), monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166237	.	.	.	.	588.2	C24H30ClN3O6S3	160	872	.	37	1	10	12	"InChI=1S/C24H29N3O6S3.ClH/c1-18-15-23(27(11-13-32-35(3,28)29)12-14-33-36(4,30)31)10-7-21(18)16-25-22-8-5-20(6-9-22)24-17-34-19(2)26-24;/h5-10,15-17H,11-14H2,1-4H3;1H"	CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=NC2=CC=C(C=C2)C3=CSC(=N3)C.Cl	VDURMSXGWSWXFG-UHFFFAOYSA-N
DG65634	NSC166240	24194273	"2-[4-[[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]iminomethyl]-3-chloro-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate;hydrochloride; 58423-65-7; CHEMBL2004715; DTXSID90638492; NSC166240; NSC-166240; ({4-[(E)-{[4-(2-Benzyl-1,3-thiazol-4-yl)phenyl]imino}methyl]-3-chlorophenyl}azanediyl)di(ethane-2,1-diyl) dimethanesulfonate--hydrogen chloride (1/1); Ethanol,2'-[[3-chloro-4-[[[4-[2-(phenylmethyl)-4-thiazolyl]phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester), monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166240	.	.	.	.	684.7	C29H31Cl2N3O6S3	160	1020	.	43	1	10	14	"InChI=1S/C29H30ClN3O6S3.ClH/c1-41(34,35)38-16-14-33(15-17-39-42(2,36)37)26-13-10-24(27(30)19-26)20-31-25-11-8-23(9-12-25)28-21-40-29(32-28)18-22-6-4-3-5-7-22;/h3-13,19-21H,14-18H2,1-2H3;1H"	CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC(=C(C=C1)C=NC2=CC=C(C=C2)C3=CSC(=N3)CC4=CC=CC=C4)Cl.Cl	LDZFBZLOKUWRQT-UHFFFAOYSA-N
DG65635	"Sulfonium, salt with 4-methylbenzenesulfonic acid (1:1)"	24194318	"CHEMBL1977217; NSC166616; NSC-166616; Sulfonium, salt with 4-methylbenzenesulfonic acid (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166616	.	.	.	.	430.7	C23H42O3S2	66.6	325	.	28	0	3	13	"InChI=1S/C16H35S.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h4-16H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1"	CCCCCCCCCCCCCC[S+](C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]	XPKKHLWELALBPN-UHFFFAOYSA-M
DG65636	"Acridinium, bromide, monohydrobromide"	24194755	"63345-25-5; DTXSID20638586; Acridinium, bromide, monohydrobromide; NSC172774; NSC-172774; 3-Amino-9-[4-({4-[(diaminomethylidene)amino]butane-1-sulfonyl}amino)anilino]-10-methylacridin-10-ium bromide--hydrogen bromide (1/1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	172774	.	.	.	.	653.4	C25H31Br2N7O2S	161	805	.	37	6	7	9	"InChI=1S/C25H29N7O2S.2BrH/c1-32-22-7-3-2-6-20(22)24(21-13-8-17(26)16-23(21)32)30-18-9-11-19(12-10-18)31-35(33,34)15-5-4-14-29-25(27)28;;/h2-3,6-13,16,31H,4-5,14-15H2,1H3,(H6,26,27,28,29,30);2*1H"	C[N+]1=C2C=C(C=CC2=C(C3=CC=CC=C31)NC4=CC=C(C=C4)NS(=O)(=O)CCCCN=C(N)N)N.Br.[Br-]	PMKQKWUPHXCWCO-UHFFFAOYSA-N
DG65637	[2-(Morpholin-4-ylmethyl)phenyl]methyl 3-bromobenzoate;hydrochloride	24194965	CHEMBL1969650; NSC175202; NSC-175202	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175202	.	.	.	.	426.7	C19H21BrClNO3	38.8	400	.	25	1	4	6	"InChI=1S/C19H20BrNO3.ClH/c20-18-7-3-6-15(12-18)19(22)24-14-17-5-2-1-4-16(17)13-21-8-10-23-11-9-21;/h1-7,12H,8-11,13-14H2;1H"	C1COCCN1CC2=CC=CC=C2COC(=O)C3=CC(=CC=C3)Br.Cl	UPJYERYVCLVKKF-UHFFFAOYSA-N
DG65638	Methyltris(2-methylphenyl)phosphanium bromide	24195677	61249-24-9; SCHEMBL9067697; CHEMBL1991607; DTXSID20638703; NSC193771; NSC-193771; Methyltris(2-methylphenyl)phosphanium bromide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	193771	.	.	.	.	399.3	C22H24BrP	0	321	.	24	0	1	3	"InChI=1S/C22H24P.BrH/c1-17-11-5-8-14-20(17)23(4,21-15-9-6-12-18(21)2)22-16-10-7-13-19(22)3;/h5-16H,1-4H3;1H/q+1;/p-1"	CC1=CC=CC=C1[P+](C)(C2=CC=CC=C2C)C3=CC=CC=C3C.[Br-]	CXANYJTYGRIEPW-UHFFFAOYSA-M
DG65639	Bis(4-chlorophenyl)(methyl)phenylphosphanium iodide	24195814	81542-36-1; CHEMBL2005773; DTXSID90638730; NSC201724; NSC-201724; Bis(4-chlorophenyl)(methyl)phenylphosphanium iodide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201724	.	.	.	.	473.1	C19H16Cl2IP	0	315	.	23	0	1	3	"InChI=1S/C19H16Cl2P.HI/c1-22(17-5-3-2-4-6-17,18-11-7-15(20)8-12-18)19-13-9-16(21)10-14-19;/h2-14H,1H3;1H/q+1;/p-1"	C[P+](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.[I-]	RKXRMWRCNNNAKR-UHFFFAOYSA-M
DG65640	"1-{[3-Chloro-4-(fluorosulfonyl)phenyl]methyl}-3-[2-(3,4-dichlorophenoxy)acetamido]pyridin-1-ium bromide"	24196248	"25480-73-3; CHEMBL1967181; DTXSID80638840; NSC212068; NSC-212068; 1-{[3-Chloro-4-(fluorosulfonyl)phenyl]methyl}-3-[2-(3,4-dichlorophenoxy)acetamido]pyridin-1-ium bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	212068	.	.	.	.	584.7	C20H15BrCl3FN2O4S	84.7	711	.	32	1	6	7	"InChI=1S/C20H14Cl3FN2O4S.BrH/c21-16-5-4-15(9-17(16)22)30-12-20(27)25-14-2-1-7-26(11-14)10-13-3-6-19(18(23)8-13)31(24,28)29;/h1-9,11H,10,12H2;1H"	C1=CC(=C[N+](=C1)CC2=CC(=C(C=C2)S(=O)(=O)F)Cl)NC(=O)COC3=CC(=C(C=C3)Cl)Cl.[Br-]	LGNTXNBVFLSKEV-UHFFFAOYSA-N
DG65641	"1-Propanone,4,5,6-tetrahydro-2-pyrimidinyl)thio]-, monohydrochloride"	24196628	"MLS002702088; CHEMBL2001429; NSC230683; NSC-230683; 1-Propanone,4,5,6-tetrahydro-2-pyrimidinyl)thio]-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	230683	.	.	.	.	302.8	C13H16ClFN2OS	66.8	314	.	19	2	4	5	"InChI=1S/C13H15FN2OS.ClH/c14-11-4-2-10(3-5-11)12(17)6-9-18-13-15-7-1-8-16-13;/h2-5H,1,6-9H2,(H,15,16);1H"	C1CNC(=NC1)SCCC(=O)C2=CC=C(C=C2)F.Cl	BKJIVSARVARZOC-UHFFFAOYSA-N
DG65642	14-Morpholinodaunomycin monohydrochloride	24196812	"60833-14-9; CHEMBL1979966; DTXSID30638916; NSC239400; NSC-239400; 14-Morpholinodaunomycin monohydrochloride; (1S,3S)-3,5,12-Trihydroxy-10-methoxy-3-[(morpholin-4-yl)acetyl]-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1); 5, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(4-morpholinylacetyl)-, monohydrochloride, (8S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	239400	.	.	.	.	649.1	C31H37ClN2O11	198	1100	.	45	6	13	6	"InChI=1S/C31H36N2O11.ClH/c1-14-26(35)17(32)10-21(43-14)44-19-12-31(40,20(34)13-33-6-8-42-9-7-33)11-16-23(19)30(39)25-24(28(16)37)27(36)15-4-3-5-18(41-2)22(15)29(25)38;/h3-5,14,17,19,21,26,35,37,39-40H,6-13,32H2,1-2H3;1H/t14 ,17 ,19-,21 ,26 ,31-;/m0./s1"	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CN6CCOCC6)O)N)O.Cl	FBMCFPYWAZGHQG-PYBHCKQVSA-N
DG65643	NSC245426	24197028	"3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(trimethylazaniumyl)hexopyranoside chloride; 80324-54-5; CHEMBL2007141; DTXSID10638934; NSC245426; NSC-245426; 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(trimethylazaniumyl)hexopyranoside chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	245426	.	.	.	.	606.1	C30H36ClNO10	160	1040	.	42	4	11	5	"InChI=1S/C30H35NO10.ClH/c1-13-25(33)17(31(3,4)5)10-20(40-13)41-19-12-30(38,14(2)32)11-16-22(19)29(37)24-23(27(16)35)26(34)15-8-7-9-18(39-6)21(15)28(24)36;/h7-9,13,17,19-20,25,33,38H,10-12H2,1-6H3,(H-,34,35,36,37);1H"	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)[N+](C)(C)C)O.[Cl-]	ZFNCGVKUDIVKOY-UHFFFAOYSA-N
DG65644	"Benzenamine,10-dihydro-8-imino-7-methyl-10-phenyl-2-phenazinyl)azo]-N,N-dimethyl-, monohydrochloride"	24197339	"NSC260642; NSC-260642; Benzenamine,10-dihydro-8-imino-7-methyl-10-phenyl-2-phenazinyl)azo]-N,N-dimethyl-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	260642	.	.	.	.	469	C27H25ClN6	67.4	854	.	34	2	6	4	"InChI=1S/C27H24N6.ClH/c1-18-15-25-27(17-23(18)28)33(22-7-5-4-6-8-22)26-16-20(11-14-24(26)29-25)31-30-19-9-12-21(13-10-19)32(2)3;/h4-17,28H,1-3H3;1H"	CC1=CC2=NC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)N(C)C)N(C2=CC1=N)C5=CC=CC=C5.Cl	GEKAQVYZDJWDOO-UHFFFAOYSA-N
DG65645	Eloxatin (TN) (Sanofi Synthelab)	24197464	"Eloxatin (TN) (Sanofi Synthelab); AB01273940-01; Platinum,2R)-1,2-cyclohexanediamine-.kappa.N, .kappa.N'][ethanedioato(2-)-.kappa.O1,.kappa.O2]-,(SP-4-2)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	266046	.	.	.	.	397.29	C8H14N2O4Pt+2	132	191	.	15	2	6	0	"InChI=1S/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;+4/p-2/t5-,6-;;/m1../s1"	C1CC[C@H]([C@@H](C1)N)N.C(=O)(C(=O)[O-])[O-].[Pt+4]	PCRKGXHIGVOZKB-BNTLRKBRSA-L
DG65646	NSC268239	24197596	"(7S,9S)-7-[4-(diethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride; 70844-09-6; CHEMBL2004550; DTXSID80991109; NSC-268239; (8S-CIS)-7,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(HYDROXYACETYL)-1-METHOXY-10-[[2,3,6-TRIDEOXY-3-(DIETHYLAMINO)-.ALPHA.-L-LYXO-HEXOPYRANOSYL]OXY]-5,12-NAPHTHACENEDIONE, HYDROCHLORIDE; 3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(diethylamino)hexopyranoside--hydrogen chloride (1/1); 5, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-(diethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, hydrochloride, (8S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	268239	.	.	.	.	636.1	C31H38ClNO11	183	1050	.	44	6	12	8	"InChI=1S/C31H37NO11.ClH/c1-5-32(6-2)17-10-21(42-14(3)26(17)35)43-19-12-31(40,20(34)13-33)11-16-23(19)30(39)25-24(28(16)37)27(36)15-8-7-9-18(41-4)22(15)29(25)38;/h7-9,14,17,19,21,26,33,35,37,39-40H,5-6,10-13H2,1-4H3;1H/t14 ,17 ,19-,21 ,26 ,31-;/m0./s1"	CCN(CC)C1CC(OC(C1O)C)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O.Cl	GDIORRHLBKYQCZ-PYBHCKQVSA-N
DG65647	NSC268708	24197650	"(1S,3S)-3,5,12-Trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1); 75363-85-8; NSC-268708; CHEMBL1993639; DTXSID30639024; NSC268708; (1S,3S)-3,5,12-Trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1); 5, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	268708	.	.	.	.	521.9	C25H28ClNO9	169	825	.	36	6	10	3	"InChI=1S/C25H27NO9.ClH/c1-9-21(28)13(26)8-16(34-9)35-15-7-10(27)6-12-18(15)25(32)20-19(23(12)30)22(29)11-4-3-5-14(33-2)17(11)24(20)31;/h3-5,9-10,13,15-16,21,27-28,30,32H,6-8,26H2,1-2H3;1H/t9 ,10-,13 ,15-,16 ,21 ;/m0./s1"	CC1C(C(CC(O1)O[C@H]2C[C@H](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)O)N)O.Cl	OFTDQPCDVVYOSS-MGDVTPSISA-N
DG65648	Thalphenine chloride	24197663	"39027-97-9; THALPHENINE CHLORIDE; CHEMBL1982937; DTXSID50639026; NSC269191; NSC-269191; 1-Methoxy-5,5-dimethyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene chloride; 3H,3]Benzodioxolo[4',5',6':4, 5][2]benzopyrano[1,8,7-hij]isoquinolinium, 4,5,5a,11-tetrahydro-1-methoxy-5,5-dimethyl-, chloride, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269191	.	.	.	.	387.9	C21H22ClNO4	36.9	582	.	27	0	5	1	"InChI=1S/C21H22NO4.ClH/c1-22(2)5-4-11-7-15(23-3)21-19-17-12(6-14(22)18(11)19)8-16-20(26-10-25-16)13(17)9-24-21;/h7-8,14H,4-6,9-10H2,1-3H3;1H/q+1;/p-1"	C[N+]1(CCC2=CC(=C3C4=C2C1CC5=CC6=C(C(=C54)CO3)OCO6)OC)C.[Cl-]	YTXCQFDRRJSMRN-UHFFFAOYSA-M
DG65649	Nybomycin deriv	24197834	"NSC275428; NYBOMYCIN DERIV; MLS002702951; Nybomycin deriv. hydrochloride; CHEMBL2000037; NSC-275428; 2H,4,3-ij]pyrido[3,2-g]quinoline-4,10(11H)-dione, 8-[(dimethylamino)methyl]-6,11-dimethyl-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	275428	.	.	.	.	361.8	C18H20ClN3O3	53.1	654	.	25	1	4	2	"InChI=1S/C18H19N3O3.ClH/c1-10-5-15(23)21-9-24-18-16-13(7-12(10)17(18)21)11(8-19(2)3)6-14(22)20(16)4;/h5-7H,8-9H2,1-4H3;1H"	CC1=CC(=O)N2COC3=C2C1=CC4=C3N(C(=O)C=C4CN(C)C)C.Cl	FALWMIAEJSRSFM-UHFFFAOYSA-N
DG65650	"Quino[8,7-diamine, N,N'-bis[3-(dimethylamino)propyl]-3,9-dimethyl-, tetrahydrochloride"	24198873	"NSC-306365; CHEMBL1773157; NSC306365; Quino[8,7-diamine, N,N'-bis[3-(dimethylamino)propyl]-3,9-dimethyl-, tetrahydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	306365	.	.	.	.	495.1	C28H39ClN6	56.3	560	.	35	3	6	10	"InChI=1S/C28H38N6.ClH/c1-19-17-25(29-13-7-15-33(3)4)23-11-10-22-21(27(23)31-19)9-12-24-26(18-20(2)32-28(22)24)30-14-8-16-34(5)6;/h9-12,17-18H,7-8,13-16H2,1-6H3,(H,29,31)(H,30,32);1H"	CC1=CC(=C2C=CC3=C(C2=N1)C=CC4=C(C=C(N=C34)C)NCCCN(C)C)NCCCN(C)C.Cl	HTGDFPPUIOQBQB-UHFFFAOYSA-N
DG65651	"7H-Pyrrolo[3,3-diamine, 7-[(4-aminophenyl)methyl]-, dihydrochloride"	24198955	"NSC309401; MLS002701801; CHEMBL2002870; DTXSID90998881; NSC-309401; 2H-Pyrrolo[3,4(3H)-diamine, 3-[(3-aminophenyl)methyl]-, dihydrochloride; 7H-Pyrrolo[3,3-diamine, 7-[(4-aminophenyl)methyl]-, dihydrochloride; 4-[(1,3-Diimino-1,2,3,4-tetrahydro-7H-pyrrolo[3,2-f]quinazolin-7-yl)methyl]aniline--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	309401	.	.	.	.	340.8	C17H17ClN6	109	410	.	24	4	5	2	"InChI=1S/C17H16N6.ClH/c18-11-3-1-10(2-4-11)9-23-8-7-12-14(23)6-5-13-15(12)16(19)22-17(20)21-13;/h1-8H,9,18H2,(H4,19,20,21,22);1H"	C1=CC(=CC=C1CN2C=CC3=C2C=CC4=C3C(=NC(=N4)N)N)N.Cl	XHQRYJPFWYWKGX-UHFFFAOYSA-N
DG65652	NSC330500	24199492	"[(4E,6Z,10Z)-20,22-dihydroxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-9-yl] carbamate; Macbecin II; NSC330500; MLS002702878; NSC-330500; 73341-73-8; CHEMBL2001484; Geldanamycin,21-didehydro-6,17-didemethoxy-18,21-dideoxo-18,21-dihydroxy-15-methoxy-6-methyl-11-O-methyl-; Geldanamycin,21-didehydro-6,17-didemethoxy-18,21-dideoxo-18,21-dihydroxy-15-methoxy-6-methyl-11-o-methyl-, (6S,15R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	330500	.	.	.	.	560.7	C30H44N2O8	150	935	3.6	40	4	8	5	"InChI=1S/C30H44N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28,33-34H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9-,17-11+,18-12-"	CC1CC(C(C(/C=C(\\C(C(/C=C\\C=C(\\C(=O)NC2=CC(=CC(=C2O)C1OC)O)/C)C)OC(=O)N)/C)C)OC)OC	SVSFCSOFEPJFSF-FOKZELFKSA-N
DG65653	S-trityl-D-cysteine methyl ester hydrochloride	24199543	S-trityl-D-cysteine methyl ester hydrochloride; SCHEMBL13736621; DTXSID20639290; NSC333329; NSC-333329; Methyl S-(triphenylmethyl)cysteinate--hydrogen chloride (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	333329	.	.	.	.	414	C23H24ClNO2S	77.6	406	.	28	2	4	8	"InChI=1S/C23H23NO2S.ClH/c1-26-22(25)21(24)17-27-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16,21H,17,24H2,1H3;1H"	COC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N.Cl	BBLIVDURNAQWLB-UHFFFAOYSA-N
DG65654	"2-Methyl-4,4-diphenyl-1,4-benzoxaphosphinin-4-ium;bromide"	24199840	CHEMBL2005846; NSC346098; NSC-346098	.	.	Investigative Drug(s)	Investigative	Small molecular drug	346098	.	.	.	.	397.2	C21H18BrOP	13.1	365	.	24	0	2	2	"InChI=1S/C21H18OP.BrH/c1-17-16-23(18-10-4-2-5-11-18,19-12-6-3-7-13-19)21-15-9-8-14-20(21)22-17;/h2-16H,1H3;1H/q+1;/p-1"	CC1=C[P+](C2=CC=CC=C2O1)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]	DFDZUIVWSKZAGG-UHFFFAOYSA-M
DG65655	2-Methylellipticinium methanesulfonate	24199985	"CHEMBL419064; NSC352299; 2-Methylellipticinium methanesulfonate; NSC-352299; 6H-Pyrido[4, 2,5,11-trimethyl-,methanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	352299	.	.	.	.	356.4	C19H20N2O3S	85.2	448	.	25	1	3	0	"InChI=1S/C18H16N2.CH4O3S/c1-11-15-10-20(3)9-8-13(15)12(2)18-17(11)14-6-4-5-7-16(14)19-18;1-5(2,3)4/h4-10H,1-3H3;1H3,(H,2,3,4)"	CC1=C2C=C[N+](=CC2=C(C3=C1NC4=CC=CC=C43)C)C.CS(=O)(=O)[O-]	ONCJTUSIELMHLW-UHFFFAOYSA-N
DG65656	1-methyl-N'-phenylpiperidine-4-carbohydrazide;hydrochloride	24200122	CHEMBL1989747; NSC359415; NSC-359415	.	.	Investigative Drug(s)	Investigative	Small molecular drug	359415	.	.	.	.	269.77	C13H20ClN3O	44.4	243	.	18	3	3	3	"InChI=1S/C13H19N3O.ClH/c1-16-9-7-11(8-10-16)13(17)15-14-12-5-3-2-4-6-12;/h2-6,11,14H,7-10H2,1H3,(H,15,17);1H"	CN1CCC(CC1)C(=O)NNC2=CC=CC=C2.Cl	AZLZCZKSVWJKEE-UHFFFAOYSA-N
DG65657	"Methanesulfonate;3,8,9-trimethoxy-5-methyl-2,12-bis(phenylmethoxy)benzo[c]phenanthridin-5-ium"	24200166	CHEMBL1980664; NSC361589; NSC-361589	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361589	.	.	.	.	641.7	C36H35NO8S	116	879	.	46	0	8	9	"InChI=1S/C35H32NO5.CH4O3S/c1-36-20-25-15-31(37-2)32(38-3)16-26(25)28-18-30(40-21-23-11-7-5-8-12-23)27-17-34(33(39-4)19-29(27)35(28)36)41-22-24-13-9-6-10-14-24;1-5(2,3)4/h5-20H,21-22H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1"	C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C(=C3)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC)OC)OC.CS(=O)(=O)[O-]	XDTSICZBTKKSSD-UHFFFAOYSA-M
DG65658	"Benzo[c]phenanthridinium,12-dihydroxy-3,8,9-trimethoxy-5-methyl-, chloride"	24200207	"CHEMBL1981878; NSC363250; NSC-363250; Benzo[c]phenanthridinium,12-dihydroxy-3,8,9-trimethoxy-5-methyl-, chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	363250	.	.	.	.	401.8	C21H20ClNO5	72	519	.	28	2	6	3	"InChI=1S/C21H19NO5.ClH/c1-22-10-11-5-19(26-3)20(27-4)8-12(11)14-7-16(23)13-6-17(24)18(25-2)9-15(13)21(14)22;/h5-10,23H,1-4H3;1H"	C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C(=C3)O)O)OC)OC)OC.[Cl-]	SLTUNUCMPATMJX-UHFFFAOYSA-N
DG65659	"(2-Methoxy-9,10-dihydrophenanthren-3-yl)methyl-dimethyl-(phenylsulfanylmethyl)azanium;bromide"	24200489	CHEMBL38640; JUNCUSOL DERIV (COMPOUND 1); NSC378135; NSC-378135	.	.	Investigative Drug(s)	Investigative	Small molecular drug	378135	.	.	.	.	470.5	C25H28BrNOS	34.5	489	.	29	0	3	6	"InChI=1S/C25H28NOS.BrH/c1-26(2,18-28-22-10-5-4-6-11-22)17-21-15-24-20(16-25(21)27-3)14-13-19-9-7-8-12-23(19)24;/h4-12,15-16H,13-14,17-18H2,1-3H3;1H/q+1;/p-1"	C[N+](C)(CC1=C(C=C2CCC3=CC=CC=C3C2=C1)OC)CSC4=CC=CC=C4.[Br-]	DZCJDDQISGMFGR-UHFFFAOYSA-M
DG65660	4'-I-Adriamycin	24200508	"83943-83-3; 4'-I-Adriamycin; NSC-378901; CHEMBL2004890; ANTINEOPLASTIC-D378901; DTXSID801004122; NSC378901; 4'-Deoxy-4'-iododoxorubicin hydrochloride; 10-[(4-Amino-5-iodo-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione--hydrogen chloride (1/1); 5, 10-[(4-aminotetrahydro-5-iodo- 6-methyl-2H-pyran-2-yl)oxy]-7,8,9,10-tetrahydro-6,8,11- trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, [2R-[2.alpha.(8S*,10S*),4.beta.,5.beta.,6.beta.]]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	378901	.	.	.	.	689.9	C27H29ClINO10	186	982	.	40	6	11	5	"InChI=1S/C27H28INO10.ClH/c1-10-22(28)13(29)6-17(38-10)39-15-8-27(36,16(31)9-30)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,30,33,35-36H,6-9,29H2,1-2H3;1H"	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)I.Cl	RIXHOXYAFWQBGU-UHFFFAOYSA-N
DG65661	"1H-1, 1-(p-bromo-alpha-phenylbenzyl)hexahydro-4-methyl-, dihydrochloride"	24200713	"7505-68-2; DTXSID20639452; NSC400717; NSC-400717; 1H-1, 1-(p-bromo-.alpha.-phenylbenzyl)hexahydro-4-methyl-, dihydrochloride; 1-[(4-Bromophenyl)(phenyl)methyl]-4-methyl-1,4-diazepane--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400717	.	.	.	.	395.8	C19H24BrClN2	6.5	321	.	23	1	2	3	"InChI=1S/C19H23BrN2.ClH/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17;/h2-4,6-11,19H,5,12-15H2,1H3;1H"	CN1CCCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Br.Cl	HPHGFXLNEPHRIW-UHFFFAOYSA-N
DG65662	"1, N,N'-bis(2-cyclohexylethyl)-N,N'-dimethyl-, dihydrochloride"	24200736	"NSC400806; NSC-400806; 1, N,N'-bis(2-cyclohexylethyl)-N,N'-dimethyl-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400806	.	.	.	.	359	C21H43ClN2	6.5	252	.	24	1	2	10	"InChI=1S/C21H42N2.ClH/c1-22(18-14-20-10-5-3-6-11-20)16-9-17-23(2)19-15-21-12-7-4-8-13-21;/h20-21H,3-19H2,1-2H3;1H"	CN(CCCN(C)CCC1CCCCC1)CCC2CCCCC2.Cl	NOVFQUCSBVOZMJ-UHFFFAOYSA-N
DG65663	Hexyl O-methyltyrosinate--hydrogen chloride (1/1)	24200836	7507-61-1; CHEMBL2003530; DTXSID20639518; NSC401586; NSC-401586; Hexyl O-methyltyrosinate--hydrogen chloride (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401586	.	.	.	.	315.83	C16H26ClNO3	61.6	262	.	21	2	4	10	"InChI=1S/C16H25NO3.ClH/c1-3-4-5-6-11-20-16(18)15(17)12-13-7-9-14(19-2)10-8-13;/h7-10,15H,3-6,11-12,17H2,1-2H3;1H"	CCCCCCOC(=O)C(CC1=CC=C(C=C1)OC)N.Cl	VDCTXPMBBCZHOQ-UHFFFAOYSA-N
DG65664	Antineoplastic-402867	24201040	ANTINEOPLASTIC-402867; NSC402867; NSC-402867	.	.	Investigative Drug(s)	Investigative	Small molecular drug	402867	.	.	.	.	398.59	C14H17As2ClN2	52	268	.	19	3	2	2	"InChI=1S/C14H16As2N2.ClH/c1-9-3-5-11(17)7-13(9)15-16-14-8-12(18)6-4-10(14)2;/h3-8H,17-18H2,1-2H3;1H"	CC1=C(C=C(C=C1)N)[As]=[As]C2=C(C=CC(=C2)N)C.Cl	STTMRDLBAHAVCB-UHFFFAOYSA-N
DG65665	NSC403163	24201072	"[8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 2-pyridin-1-ium-1-ylacetate;chloride; NSC403163; NSC-403163"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403163	.	.	.	.	570	C29H28ClNO9	103	867	.	40	0	10	8	"InChI=1S/C29H28NO9.ClH/c1-33-22-9-16(10-23(34-2)28(22)35-3)25-17-11-20-21(38-15-37-20)12-18(17)27(19-14-36-29(32)26(19)25)39-24(31)13-30-7-5-4-6-8-30;/h4-12,19,25-27H,13-15H2,1-3H3;1H/q+1;/p-1"	COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC(=O)C[N+]6=CC=CC=C6.[Cl-]	SDUGGZXPGJTZJV-UHFFFAOYSA-M
DG65666	"10-Methylimidazo[1,2-a:3,4-a']diquinolin-15-ium iodide"	24201701	"5485-84-7; DTXSID70639760; NSC524442; NSC-524442; 10-Methylimidazo[1,2-a:3,4-a']diquinolin-15-ium iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	524442	.	.	.	.	410.2	C20H15IN2	8.5	422	.	23	0	1	0	"InChI=1S/C20H15N2.HI/c1-14-6-10-19-16(12-14)7-9-17-13-21-18-5-3-2-4-15(18)8-11-20(21)22(17)19;/h2-13H,1H3;1H/q+1;/p-1"	CC1=CC2=C(C=C1)N3C(=C[N+]4=C3C=CC5=CC=CC=C54)C=C2.[I-]	RZOZVQMWYPDIGA-UHFFFAOYSA-M
DG65667	"1, 2-Amino-, platinum complex"	24201925	"1, 2-amino-, platinum complex; NSC606092; NSC-606092; Platinum,3-propanedioato(2-)-O,O'] (1,2-cyclohexanediamine-N,N')-, (SP-4-2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606092	.	.	.	.	426.33	C9H17N3O4Pt+2	158	228	.	17	3	7	0	"InChI=1S/C6H14N2.C3H5NO4.Pt/c7-5-3-1-2-4-6(5)8;4-1(2(5)6)3(7)8;/h5-6H,1-4,7-8H2;1H,4H2,(H,5,6)(H,7,8);/q;;+4/p-2"	C1CCC(C(C1)N)N.C(C(=O)[O-])(C(=O)[O-])N.[Pt+4]	PJTUCKWWEKSCSB-UHFFFAOYSA-L
DG65668	"2-(2-Ethoxy-1,5,6-trimethoxyphenanthren-4-yl)ethyl-trimethylazanium;methyl sulfate"	24201960	CHEMBL1968773; NSC611267; NSC-611267	.	.	Investigative Drug(s)	Investigative	Small molecular drug	611267	.	.	.	.	509.6	C25H35NO8S	112	598	.	35	0	8	8	"InChI=1S/C24H32NO4.CH4O4S/c1-8-29-20-15-17(13-14-25(2,3)4)21-18(23(20)27-6)11-9-16-10-12-19(26-5)24(28-7)22(16)21;1-5-6(2,3)4/h9-12,15H,8,13-14H2,1-7H3;1H3,(H,2,3,4)/q+1;/p-1"	CCOC1=C(C2=C(C(=C1)CC[N+](C)(C)C)C3=C(C=C2)C=CC(=C3OC)OC)OC.COS(=O)(=O)[O-]	DBRTWHYKJDTQOD-UHFFFAOYSA-M
DG65669	"Platinum,2-cyclohexanediamine-N,N')bis (4-morpholinepropanesulfonato-O)-, (SP-4-2)"	24201983	"NSC614887; NSC-614887; Platinum,2-cyclohexanediamine-N,N')bis (4-morpholinepropanesulfonato-O)-, (SP-4-2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614887	.	.	.	.	725.8	C20H42N4O8PtS2+2	208	660	.	35	2	12	10	"InChI=1S/2C7H15NO4S.C6H14N2.Pt/c2*9-13(10,11)7-1-2-8-3-5-12-6-4-8;7-5-3-1-2-4-6(5)8;/h2*1-7H2,(H,9,10,11);5-6H,1-4,7-8H2;/q;;;+4/p-2"	C1CCC(C(C1)N)N.C1COCCN1CCCS(=O)(=O)[O-].C1COCCN1CCCS(=O)(=O)[O-].[Pt+4]	UVFZWEZFJMQERF-UHFFFAOYSA-L
DG65670	"1-Piperazinepropanesulfonic acid, platinum complex"	24201990	"NSC615590; NSC-615590; 1-Piperazinepropanesulfonic acid, platinum complex; Platinum,2-cyclohexanediamine-N,N') bis[4-(2-hydroxyethyl)-1-piperazinepropanesulfonato-O)-, (SP-4-2)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615590	.	.	.	.	811.9	C24H52N6O8PtS2+2	237	777	.	41	4	14	14	"InChI=1S/2C9H20N2O4S.C6H14N2.Pt/c2*12-8-7-11-5-3-10(4-6-11)2-1-9-16(13,14)15;7-5-3-1-2-4-6(5)8;/h2*12H,1-9H2,(H,13,14,15);5-6H,1-4,7-8H2;/q;;;+4/p-2"	C1CCC(C(C1)N)N.C1CN(CCN1CCCS(=O)(=O)[O-])CCO.C1CN(CCN1CCCS(=O)(=O)[O-])CCO.[Pt+4]	NXILDJGBNZIRLE-UHFFFAOYSA-L
DG65671	"Benzenesulfonic acid,5-cyclohexadien-1-ylidene)methyl]-, platinum complex"	24201992	"NSC615592; NSC-615592; Benzenesulfonic acid,5-cyclohexadien-1-ylidene)methyl]-, platinum complex; Platinum,2-cyclohexanediamine-N,N')bis[2-[(3-bromo- 4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene) methyl]-1-benzenesulfonato-O]-, (SP-4-2)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615592	.	.	.	.	1331.6	C44H36Br4N2O10PtS2+2	258	1910	.	63	4	12	8	"InChI=1S/2C19H12Br2O5S.C6H14N2.Pt/c2*20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26;7-5-3-1-2-4-6(5)8;/h2*1-10,22H,(H,24,25,26);5-6H,1-4,7-8H2;/q;;;+4/p-2/b2*19-12+;;"	C1CC(C(CC1)N)N.C1=CC=C(C(=C1)/C(=C\\2/C=C(C(=O)C=C2)Br)/C3=CC(=C(C=C3)O)Br)S(=O)(=O)[O-].C1=CC=C(C(=C1)/C(=C\\2/C=C(C(=O)C=C2)Br)/C3=CC(=C(C=C3)O)Br)S(=O)(=O)[O-].[Pt+4]	HTVOVHCTWVQJGK-SKFNRWCWSA-L
DG65672	1-[(4-Methylphenyl)methyl]-1-phenylphosphinan-1-ium;perchlorate	24202004	CHEMBL1999478; NSC617043; NSC-617043	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617043	.	.	.	.	382.8	C19H24ClO4P	74.3	374	.	25	0	4	3	"InChI=1S/C19H24P.ClHO4/c1-17-10-12-18(13-11-17)16-20(14-6-3-7-15-20)19-8-4-2-5-9-19;2-1(3,4)5/h2,4-5,8-13H,3,6-7,14-16H2,1H3;(H,2,3,4,5)/q+1;/p-1"	CC1=CC=C(C=C1)C[P+]2(CCCCC2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O	CHOMHMUCGCTXJI-UHFFFAOYSA-M
DG65673	NSC617564	24202006	zinc;N-[(E)-1-[6-[(E)-C-methyl-N-(pyridine-3-carbonylamino)carbonimidoyl]pyridin-2-yl]ethylideneamino]pyridine-3-carboxamide;diacetate; NSC617564; NSC-617564	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617564	.	.	.	.	584.9	C25H25N7O6Zn	202	734	.	39	2	11	3	"InChI=1S/C21H19N7O2.2C2H4O2.Zn/c1-14(25-27-20(29)16-6-4-10-22-12-16)18-8-3-9-19(24-18)15(2)26-28-21(30)17-7-5-11-23-13-17;2*1-2(3)4;/h3-13H,1-2H3,(H,27,29)(H,28,30);2*1H3,(H,3,4);/q;;;+2/p-2/b25-14+,26-15+;;;"	C/C(=N\\NC(=O)C1=CN=CC=C1)/C2=NC(=CC=C2)/C(=N/NC(=O)C3=CN=CC=C3)/C.CC(=O)[O-].CC(=O)[O-].[Zn+2]	LPGDVYAETMLLQN-LKXWJTICSA-L
DG65674	NSC617568	24202007	2-hydroxy-N-[(E)-1-[6-[(E)-N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]benzamide;iron(2+);sulfate; NSC617568; NSC-617568	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617568	.	.	.	.	583.4	C23H21FeN5O8S	225	871	.	38	4	11	2	"InChI=1S/C23H21N5O4.Fe.H2O4S/c1-14(25-27-22(31)16-8-3-5-12-20(16)29)18-10-7-11-19(24-18)15(2)26-28-23(32)17-9-4-6-13-21(17)30;;1-5(2,3)4/h3-13,29-30H,1-2H3,(H,27,31)(H,28,32);;(H2,1,2,3,4)/q;+2;/p-2/b25-14+,26-15+;;"	C/C(=N\\NC(=O)C1=CC=CC=C1O)/C2=NC(=CC=C2)/C(=N/NC(=O)C3=CC=CC=C3O)/C.[O-]S(=O)(=O)[O-].[Fe+2]	VJJGJNGQCJLNKU-UMYJKDMASA-L
DG65675	copper;1-(1-methylimidazol-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine;acetate;perchlorate	24202012	NSC618144; NSC-618144	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618144	.	.	.	.	427.3	C12H18ClCuN5O6	162	358	.	25	1	9	1	"InChI=1S/C10H15N5.C2H4O2.ClHO4.Cu/c1-14-5-3-12-9(14)7-11-8-10-13-4-6-15(10)2;1-2(3)4;2-1(3,4)5;/h3-6,11H,7-8H2,1-2H3;1H3,(H,3,4);(H,2,3,4,5);/q;;;+2/p-2"	CC(=O)[O-].CN1C=CN=C1CNCC2=NC=CN2C.[O-]Cl(=O)(=O)=O.[Cu+2]	PRVIXYMUDAIKIE-UHFFFAOYSA-L
DG65676	"2-(2-Ethyl-6-propan-2-ylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione;perchlorate"	24202023	CHEMBL1991551; NSC618659; NSC-618659	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618659	.	.	.	.	511	C27H27ClN2O6	124	800	.	36	1	7	5	"InChI=1S/C27H26N2O2.ClHO4/c1-5-19-9-8-12-20(17(2)3)23(19)28-24-25(29-15-13-18(4)14-16-29)27(31)22-11-7-6-10-21(22)26(24)30;2-1(3,4)5/h6-17H,5H2,1-4H3;(H,2,3,4,5)"	CCC1=C(C(=CC=C1)C(C)C)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=C(C=C4)C.[O-]Cl(=O)(=O)=O	ZMTCPDWBWZPDAG-UHFFFAOYSA-N
DG65677	Antineoplastic-619178	24202028	ANTINEOPLASTIC-619178; NSC619178; NSC-619178	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619178	.	.	.	.	1202.2	C76H50CoN6O6-	204	1560	.	89	0	12	7	"InChI=1S/3C24H16N2.C4H4O6.Co/c3*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;5-1(3(7)8)2(6)4(9)10;/h3*1-16H;1-2H,(H,7,8)(H,9,10);/q;;;-2;+3/p-2"	C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C(C(C(=O)[O-])[O-])(C(=O)[O-])[O-].[Co+3]	HPXVTOJGSHZXBP-UHFFFAOYSA-L
DG65678	"dimethyl-[5-(N-(C-methylsulfanyl-N-phenylcarbonimidoyl)anilino)-1,2,4-dithiazol-3-ylidene]azanium;perchlorate"	24202068	CHEMBL1977130; NSC622580; NSC-622580	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622580	.	.	.	.	487	C18H19ClN4O4S3	181	638	.	30	0	8	5	"InChI=1S/C18H19N4S3.ClHO4/c1-21(2)16-20-18(25-24-16)22(15-12-8-5-9-13-15)17(23-3)19-14-10-6-4-7-11-14;2-1(3,4)5/h4-13H,1-3H3;(H,2,3,4,5)/q+1;/p-1"	C[N+](=C1N=C(SS1)N(C2=CC=CC=C2)C(=NC3=CC=CC=C3)SC)C.[O-]Cl(=O)(=O)=O	BWQGMKDQIUSEPL-UHFFFAOYSA-M
DG65679	"3-[5-(1-Adamantylamino)-1,3,4-thiadiazol-2-yl]-1,1-dimethylthiourea;perchloric acid"	24202069	CHEMBL1987364; NSC622590; NSC-622590	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622590	.	.	.	.	438	C15H24ClN5O4S2	185	528	.	27	3	9	3	"InChI=1S/C15H23N5S2.ClHO4/c1-20(2)14(21)16-12-18-19-13(22-12)17-15-6-9-3-10(7-15)5-11(4-9)8-15;2-1(3,4)5/h9-11H,3-8H2,1-2H3,(H,17,19)(H,16,18,21);(H,2,3,4,5)"	CN(C)C(=S)NC1=NN=C(S1)NC23CC4CC(C2)CC(C4)C3.OCl(=O)(=O)=O	CXMIBXUKZSXCMO-UHFFFAOYSA-N
DG65680	"Mercury;naphthalene-1,8-dicarboxylic acid"	24202090	NSC625635; NSC-625635	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625635	.	.	.	.	416.78	C12H8HgO4	74.6	271	.	17	2	4	2	"InChI=1S/C12H8O4.Hg/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16;/h1-6H,(H,13,14)(H,15,16);"	C1=CC2=C(C(=C1)C(=O)O)C(=CC=C2)C(=O)O.[Hg]	SHGOQYAHXCRJOQ-UHFFFAOYSA-N
DG65681	Dioxidanium;benzeneseleninate;platinum(2+)	24202093	NSC626669; NSC-626669	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626669	.	.	.	.	609.3	C12H16O6PtSe2+2	82.3	242	.	21	2	4	0	"InChI=1S/2C6H6O2Se.2H2O.Pt/c2*7-9(8)6-4-2-1-3-5-6;;;/h2*1-5H,(H,7,8);2*1H2;/q;;;;+2"	C1=CC=C(C=C1)[Se](=O)[O-].C1=CC=C(C=C1)[Se](=O)[O-].[OH3+].[OH3+].[Pt+2]	JHSMOPZJQRUIPB-UHFFFAOYSA-N
DG65682	"trans-[Bis-2,2'-bipyridinedioxoruthenium(VI)]-perchlorate-hydrate"	24202183	"NSC631481; NSC-631481; trans-[Bis-2,2'-bipyridinedioxoruthenium(VI)]- perchlorate -hydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631481	.	.	.	.	544.9	C20H16ClN4O6Ru-	160	447	.	32	0	10	0	"InChI=1S/2C10H8N2.ClHO4.2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)5;;;/h2*1-8H;(H,2,3,4,5);;;/p-1"	C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.[O-]Cl(=O)(=O)=O.O=[Ru]=O	IWIJUKYJDICEHX-UHFFFAOYSA-M
DG65683	cis-Diamminedimorpholinoplatinum(II)chloride	24202186	NSC631896; NSC-631896; cis-Diamminedimorpholinoplatinum(II)chloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631896	.	.	.	.	438.84	C8H24ClN4O2Pt+	44.5	90.6	.	16	4	7	0	"InChI=1S/2C4H9NO.ClH.2H3N.Pt/c2*1-3-6-4-2-5-1;;;;/h2*5H,1-4H2;1H;2*1H3;/q;;;;;+2/p-1"	C1COCCN1.C1COCCN1.N.N.[Cl-].[Pt+2]	GTUVPULBYNQDRU-UHFFFAOYSA-M
DG65684	Pentaamminenitrogenosmium(II)chloride	24202194	Pentaamminenitrogenosmium(II)chloride; NSC632566; NSC-632566	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632566	.	.	.	.	338.8	ClH15N7Os+6	52.6	12.3	.	9	5	8	0	InChI=1S/ClH.N2.5H3N.Os/c;1-2;;;;;;/h1H;;5*1H3;/q;;;;;;;+7/p-1	N.N.N.N.N.N#N.[Cl-].[Os+7]	ALKKJJZVIPBWJX-UHFFFAOYSA-M
DG65685	"Tris(2,2'-bipyridyle)neodymium(III)-trithiocyanate"	24202206	"NSC632729; NSC-632729; Tris(2,2'-bipyridyle)neodymium(III)- trithiocyanate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632729	.	.	.	.	670.9	C31H24N7NdS+2	102	473	.	40	0	8	0	InChI=1S/3C10H8N2.CHNS.Nd/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1-3;/h3*1-8H;3H;/q;;;;+3/p-1	C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C(#N)[S-].[Nd+3]	CRPVJUULEBZHOL-UHFFFAOYSA-M
DG65686	"Tris(1,10-phenanthroline)neodymium(III)-trithiocyanate"	24202207	"NSC632730; NSC-632730; Tris(1,10-phenanthroline)neodymium(III)-trithiocyanate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632730	.	.	.	.	742.9	C37H24N7NdS+2	102	690	.	46	0	8	0	InChI=1S/3C12H8N2.CHNS.Nd/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1-3;/h3*1-8H;3H;/q;;;;+3/p-1	C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C(#N)[S-].[Nd+3]	YJJKUZBNAYVIJQ-UHFFFAOYSA-M
DG65687	"Tris(1,10-phenanthroline)cerium(III)-trithiocyanate"	24202209	"NSC632734; NSC-632734; Tris(1,10-phenanthroline)cerium(III)-trithiocyanate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632734	.	.	.	.	738.8	C37H24CeN7S+2	102	690	.	46	0	8	0	InChI=1S/3C12H8N2.CHNS.Ce/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1-3;/h3*1-8H;3H;/q;;;;+3/p-1	C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C(#N)[S-].[Ce+3]	PMFAKUXJOOCVRI-UHFFFAOYSA-M
DG65688	"Tris(1,10-phenanthroline)lanthanum(III)-trithiocyanate"	24202211	"NSC632737; NSC-632737; Tris(1,10-phenanthroline)lanthanum(III)-trithiocyanate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632737	.	.	.	.	737.6	C37H24LaN7S+2	102	690	.	46	0	8	0	InChI=1S/3C12H8N2.CHNS.La/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1-3;/h3*1-8H;3H;/q;;;;+3/p-1	C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C(#N)[S-].[La+3]	GFNHYZAZHNTKIE-UHFFFAOYSA-M
DG65689	"Bis(carboxydiphenylmethanolato)bis(1-phenylbutane-1,3-dionato)titanium(IV)"	24202319	"NSC638385; NSC-638385; Bis(carboxydiphenylmethanolato)bis(1-phenylbutane-1,3- dionato)titanium(IV)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638385	.	.	.	.	822.7	C48H38O10Ti-2	195	1130	.	59	0	12	8	"InChI=1S/2C14H11O3.2C10H9O2.Ti/c2*15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-8(11)7-10(12)9-5-3-2-4-6-9;/h2*1-10H,(H,15,16);2*2-7H,1H3;/q4*-1;+4/p-2"	CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])[O-].C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])[O-].[Ti+4]	WSNATHJNXHSFDH-UHFFFAOYSA-L
DG65690	"Cyclohexane-1,2-diamine;platinum(4+);selenite"	24202320	NSC-638728	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638728	.	.	.	.	436.24	C6H14N2O3PtSe+2	115	136	.	13	2	5	0	"InChI=1S/C6H14N2.H2O3Se.Pt/c7-5-3-1-2-4-6(5)8;1-4(2)3;/h5-6H,1-4,7-8H2;(H2,1,2,3);/q;;+4/p-2"	C1CCC(C(C1)N)N.[O-][Se](=O)[O-].[Pt+4]	BKPWVSBNDWXWJY-UHFFFAOYSA-L
DG65691	Diisopropoxybis(chinoline-8-olato)titanium(IV)	24202322	NSC638737; NSC-638737; Diisopropoxybis(chinoline-8-olato)titanium(IV)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638737	.	.	.	.	454.3	C24H26N2O4Ti	118	390	.	31	0	6	2	"InChI=1S/2C9H7NO.2C3H7O.Ti/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-3(2)4;/h2*1-6,11H;2*3H,1-2H3;/q;;2*-1;+4/p-2"	CC(C)[O-].CC(C)[O-].C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Ti+4]	OMVMRNPAGFQJLL-UHFFFAOYSA-L
DG65692	Ethoxytris(2-methyl-8-chinolineolato)titanium(IV)	24202327	NSC638844; NSC-638844; Ethoxytris(2-methyl-8-chinolineolato)titanium(IV)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638844	.	.	.	.	567.5	C32H29N3O4Ti	131	640	.	40	0	7	2	"InChI=1S/3C10H9NO.C2H5O.Ti/c3*1-7-5-6-8-3-2-4-9(12)10(8)11-7;1-2-3;/h3*2-6,12H,1H3;2H2,1H3;/q;;;-1;+4/p-3"	CC[O-].CC1=NC2=C(C=CC=C2[O-])C=C1.CC1=NC2=C(C=CC=C2[O-])C=C1.CC1=NC2=C(C=CC=C2[O-])C=C1.[Ti+4]	NPGDPPNQWCACOV-UHFFFAOYSA-K
DG65693	"Bis[2-((phenylaminyl)(phenyl)methyl)indane-1,3-dionato] nickel(II)-dihydrate"	24202332	"NSC639094; NSC-639094; Bis[2-((phenylaminyl)(phenyl)methyl)indane-1,3-dionato] nickel(II)-dihydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639094	.	.	.	.	711.4	C44H32N2NiO4	104	1130	.	51	2	6	4	"InChI=1S/2C22H17NO2.Ni/c2*24-21-17-13-7-8-14-18(17)22(25)19(21)20(15-9-3-1-4-10-15)23-16-11-5-2-6-12-16;/h2*1-14,20,23-24H;/q;;+2/p-2"	C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C2=O)[O-])NC4=CC=CC=C4.C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C2=O)[O-])NC4=CC=CC=C4.[Ni+2]	GKSMQNNJCCYGAH-UHFFFAOYSA-L
DG65694	Antineoplastic-641318	24202346	"ANTINEOPLASTIC-641318; NSC641318; NSC-641318; 5, 10-[[3-[[4,4-di(acetyloxy)butyl]amino]- 2,3,6-trideoxy-.alpha.-L-lyxohexopyranosyl]oxy]- 7,8,9,10-tetrahydro-6,8,11-trihydroxy- 8-(hydroxyacetyl)-1-methoxy-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641318	.	.	.	.	752.2	C35H42ClNO15	245	1300	.	52	7	16	14	"InChI=1S/C35H41NO15.ClH/c1-15-30(41)20(36-10-6-9-24(49-16(2)38)50-17(3)39)11-25(48-15)51-22-13-35(46,23(40)14-37)12-19-27(22)34(45)29-28(32(19)43)31(42)18-7-5-8-21(47-4)26(18)33(29)44;/h5,7-8,15,20,22,24-25,30,36-37,41,43,45-46H,6,9-14H2,1-4H3;1H/t15 ,20 ,22 ,25 ,30 ,35-;/m0./s1"	CC1C(C(CC(O1)OC2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NCCCC(OC(=O)C)OC(=O)C)O.Cl	ARYOZYVUZMGJCZ-XJVHOXIISA-N
DG65695	Antineoplastic-641319	24202347	"ANTINEOPLASTIC-641319; NSC641319; NSC-641319; 5, 10-[[3-[[5,5-di(acetyloxy)pentyl]amino]- 2,3,6-trideoxy-.alpha.-L-lyxohexopyranosyl]oxy]- 7,8,9,10-tetrahydro-6,8,11-trihydroxy- 8-(hydroxyacetyl)-1-methoxy-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641319	.	.	.	.	766.2	C36H44ClNO15	245	1310	.	53	7	16	15	"InChI=1S/C36H43NO15.ClH/c1-16-31(42)21(37-11-6-5-10-25(50-17(2)39)51-18(3)40)12-26(49-16)52-23-14-36(47,24(41)15-38)13-20-28(23)35(46)30-29(33(20)44)32(43)19-8-7-9-22(48-4)27(19)34(30)45;/h7-9,16,21,23,25-26,31,37-38,42,44,46-47H,5-6,10-15H2,1-4H3;1H/t16 ,21 ,23 ,26 ,31 ,36-;/m0./s1"	CC1C(C(CC(O1)OC2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NCCCCC(OC(=O)C)OC(=O)C)O.Cl	VRIXQRXJYLPDBG-MHRQJLALSA-N
DG65696	"Azane;hexane-1,6-diamine;platinum(4+);propanedioate"	24202350	NSC641457; NSC-641457	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641457	.	.	.	.	744.5	C12H26N4O8Pt2+4	215	293	.	26	4	12	5	"InChI=1S/C6H16N2.2C3H4O4.2H3N.2Pt/c7-5-3-1-2-4-6-8;2*4-2(5)1-3(6)7;;;;/h1-8H2;2*1H2,(H,4,5)(H,6,7);2*1H3;;/q;;;;;2*+4/p-4"	C(CCCN)CCN.C(C(=O)[O-])C(=O)[O-].C(C(=O)[O-])C(=O)[O-].N.N.[Pt+4].[Pt+4]	JRJQSFZVKGKJTK-UHFFFAOYSA-J
DG65697	"Platinum,N''-(1,6-hexanediyl)bis[diamino[2-ethyl-1,3-propanedioato(2-)-O,O']-, (SP-4-3,SP-4-3)"	24202351	"NSC641458; NSC-641458; Platinum,N''-(1,6-hexanediyl)bis[diamino[2-ethyl- 1,3-propanedioato(2-)-O,O']-, (SP-4-3,SP-4-3)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641458	.	.	.	.	800.6	C16H34N4O8Pt2+4	215	366	.	30	4	12	7	"InChI=1S/C6H16N2.2C5H8O4.2H3N.2Pt/c7-5-3-1-2-4-6-8;2*1-2-3(4(6)7)5(8)9;;;;/h1-8H2;2*3H,2H2,1H3,(H,6,7)(H,8,9);2*1H3;;/q;;;;;2*+4/p-4"	CCC(C(=O)[O-])C(=O)[O-].CCC(C(=O)[O-])C(=O)[O-].C(CCCN)CCN.N.N.[Pt+4].[Pt+4]	RWONMZAIYWZPDY-UHFFFAOYSA-J
DG65698	"Azane;2-chloroacetate;hexane-1,6-diamine;platinum(4+)"	24202352	NSC641459; NSC-641459	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641459	.	.	.	.	914.4	C14H30Cl4N4O8Pt2+4	215	333	.	32	4	12	13	"InChI=1S/C6H16N2.4C2H3ClO2.2H3N.2Pt/c7-5-3-1-2-4-6-8;4*3-1-2(4)5;;;;/h1-8H2;4*1H2,(H,4,5);2*1H3;;/q;;;;;;;2*+4/p-4"	C(CCCN)CCN.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.N.N.[Pt+4].[Pt+4]	MIBZZXNFPHWVEX-UHFFFAOYSA-J
DG65699	"Azane;2-chloroacetate;pentane-1,5-diamine;platinum(4+)"	24202354	NSC641461; NSC-641461	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641461	.	.	.	.	900.4	C13H28Cl4N4O8Pt2+4	215	320	.	31	4	12	12	"InChI=1S/C5H14N2.4C2H3ClO2.2H3N.2Pt/c6-4-2-1-3-5-7;4*3-1-2(4)5;;;;/h1-7H2;4*1H2,(H,4,5);2*1H3;;/q;;;;;;;2*+4/p-4"	C(CCN)CCN.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.N.N.[Pt+4].[Pt+4]	HSVKVHHYGZTTSX-UHFFFAOYSA-J
DG65700	NSC642899	24202359	"Methanesulfonate;2,3,8,9-tetramethoxy-5-methyl-12-[8-(2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium-12-yl)oxyoctoxy]benzo[c]phenanthridin-5-ium; NSC642899; NSC-642899"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642899	.	.	.	.	966.1	C53H61N2O13S+	166	1390	.	69	0	13	19	"InChI=1S/C52H58N2O10.CH4O3S/c1-53-29-31-19-43(55-3)45(57-5)21-33(31)37-25-41(35-23-47(59-7)49(61-9)27-39(35)51(37)53)63-17-15-13-11-12-14-16-18-64-42-26-38-34-22-46(58-6)44(56-4)20-32(34)30-54(2)52(38)40-28-50(62-10)48(60-8)24-36(40)42;1-5(2,3)4/h19-30H,11-18H2,1-10H3;1H3,(H,2,3,4)/q+2;/p-1"	C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C(=C3)OCCCCCCCCOC5=CC6=C(C7=CC(=C(C=C75)OC)OC)[N+](=CC8=CC(=C(C=C86)OC)OC)C)OC)OC)OC)OC.CS(=O)(=O)[O-]	IZUJAGHJSLSQAE-UHFFFAOYSA-M
DG65701	"1-[2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]ethyl]-2,4,6-trimethylpyridin-1-ium;perchlorate"	24202368	CHEMBL1981110; NSC644614; NSC-644614	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644614	.	.	.	.	554.5	C30H29Cl2NO5	87.4	697	.	38	0	5	7	"InChI=1S/C30H29ClNO.ClHO4/c1-22-20-23(2)32(24(3)21-22)18-19-33-28-16-14-26(15-17-28)29(25-10-6-4-7-11-25)30(31)27-12-8-5-9-13-27;2-1(3,4)5/h4-17,20-21H,18-19H2,1-3H3;(H,2,3,4,5)/q+1;/p-1/b30-29+;"	CC1=CC(=[N+](C(=C1)C)CCOC2=CC=C(C=C2)/C(=C(\\C3=CC=CC=C3)/Cl)/C4=CC=CC=C4)C.[O-]Cl(=O)(=O)=O	RVKSVTNBTDRXHT-BXGDTPBJSA-M
DG65702	"Ethane-1,2-diimine;pentane-2,4-dione;tin(2+)"	24202369	NSC-644934	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644934	.	.	.	.	372.99	C12H18N2O4Sn	116	272	.	19	2	8	0	"InChI=1S/2C5H7O2.C2H4N2.Sn/c2*1-4(6)3-5(2)7;3-1-2-4;/h2*3H,1-2H3;1-4H;/q2*-1;;+2"	CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.C(=N)C=N.[Sn+2]	PFDWUPZGEDOJKZ-UHFFFAOYSA-N
DG65703	Oxidanium;ZINC;2-(2-carboxylatoanilino)benzoate	24202387	NSC646290; NSC-646290	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646290	.	.	.	.	339.6	C14H12NO5Zn+	93.3	320	.	21	2	5	0	"InChI=1S/C14H11NO4.H2O.Zn/c16-13(17)9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14(18)19;;/h1-8,15H,(H,16,17)(H,18,19);1H2;/q;;+2/p-1"	C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=C2C(=O)[O-].[OH3+].[Zn+2]	KBTXGJMBCWQUNY-UHFFFAOYSA-M
DG65704	Trifluoromethanesulfonate;triphenyl(prop-1-ynyl)phosphanium	24202391	CHEMBL1984546; NSC646702; NSC-646702	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646702	.	.	.	.	450.4	C22H18F3O3PS	65.6	493	.	30	0	6	4	"InChI=1S/C21H18P.CHF3O3S/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;2-1(3,4)8(5,6)7/h3-17H,1H3;(H,5,6,7)/q+1;/p-1"	CC#C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]	XDPIKSUDNQJSLB-UHFFFAOYSA-M
DG65705	Pentamine-osmium(III)trifluoromethane sulfonate	24202392	NSC646863; NSC-646863; Pentamine-osmium(III)trifluoromethane sulfonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646863	.	.	.	.	573.5	C2H15F6N5O6OsS2+6	136	320	.	22	5	17	1	"InChI=1S/2CHF3O3S.5H3N.Os/c2*2-1(3,4)8(5,6)7;;;;;;/h2*(H,5,6,7);5*1H3;/q;;;;;;;+8/p-2"	C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].N.N.N.N.N.[Os+8]	ATNOOPWDLXFPSQ-UHFFFAOYSA-L
DG65706	"Aquatris(1,3-dionato)neodymium(III)"	24202395	"NSC647040; Aquatris(1,3-dionato)neodymium(III); NSC-647040"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647040	.	.	.	.	833	C45H36NdO7+	103	876	.	53	1	9	6	InChI=1S/3C15H11O2.Nd.H2O/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;/h3*1-11H;;1H2/q3*-1;+3;/p+1	C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[OH3+].[Nd+3]	YQAOZIYOSNSVFM-UHFFFAOYSA-O
DG65707	"Aquahydroxobis(1,3-dionato)neodymium(III)-hemihydrate"	24202397	"NSC647042; NSC-647042; Aquahydroxobis(1,3-dionato)neodymium(III)-hemihydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647042	.	.	.	.	626.8	C30H26NdO6+	70.3	556	.	37	2	7	4	InChI=1S/2C15H11O2.Nd.2H2O/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;;/h2*1-11H;;2*1H2/q2*-1;+3;;	C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[OH3+].[OH-].[Nd+3]	QLFPWQGIPLOPHW-UHFFFAOYSA-N
DG65708	"Acetatobis(1,3-dionato)neodymium(III)"	24202398	"NSC647044; NSC-647044; Acetatobis(1,3-dionato)neodymium(III)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647044	.	.	.	.	655.8	C32H31NdO6	121	551	.	39	6	9	4	"InChI=1S/2C15H13O2.C2H5O2.Nd/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-2(3)4;/h2*1-11,16-17H;3-4H,1H3;/q3*-1;+3/b2*14-11-;;"	C[C-](O)O.C1=CC=C(C=C1)[C-](O)/C=C(\\O)/C2=CC=CC=C2.C1=CC=C(C=C1)[C-](O)/C=C(\\O)/C2=CC=CC=C2.[Nd+3]	QRDIRZPDDRCBIB-IWSPYOOBSA-N
DG65709	"Aquahydroxobis(1,3-dionato)lanthane(III) hemihydrate"	24202399	"NSC647048; NSC-647048; Aquahydroxobis(1,3-dionato)lanthane(III) hemihydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647048	.	.	.	.	621.4	C30H26LaO6+	70.3	556	.	37	2	7	4	InChI=1S/2C15H11O2.La.2H2O/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;;/h2*1-11H;;2*1H2/q2*-1;+3;;	C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[OH3+].[OH-].[La+3]	SYYNCBAEFXNFKA-UHFFFAOYSA-N
DG65710	"Brefeldin A bis-(N,N-dimethylglycine) ester hydrochloride monohydrate"	24202420	"NSC652680; NSC-652680; Brefeldin A bis-(N,N-dimethylglycine) ester hydrochloride monohydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652680	.	.	.	.	487	C24H39ClN2O6	85.4	703	.	33	1	8	8	"InChI=1S/C24H38N2O6.ClH/c1-17-9-7-6-8-10-18-13-19(31-23(28)15-25(2)3)14-20(18)21(11-12-22(27)30-17)32-24(29)16-26(4)5;/h8,10-12,17-21H,6-7,9,13-16H2,1-5H3;1H/b10-8+,12-11+;/t17-,18 ,19 ,20 ,21 ;/m0./s1"	C[C@H]1CCC/C=C/C2CC(CC2C(/C=C/C(=O)O1)OC(=O)CN(C)C)OC(=O)CN(C)C.Cl	NACCDLGSDFWLGW-FNVRRHJVSA-N
DG65711	Benzoylstaurosporine	24202429	"Benzoylstaurosporine; C35H30N4O4; N-Benzoylstaurosporine; 120685-11-2; N-[(2R,3S,4S,6S)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide; NSC-656576; CHEMBL338448; BDBM31094; cid_24202429; CPG 41251; NSC656576; ZINC100070719; X6312; Benzamide,10R,11R,13R)-2,3,10,11,12,13- hexahydro-10-methoxy-9-methyl-1-oxo-9,13-epoxy-1H,9H- diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-11-yl]-N-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656576	.	.	.	.	570.6	C35H30N4O4	77.7	1140	4.8	43	1	4	3	"InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m0/s1"	C[C@]12[C@H]([C@H](C[C@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-PZFYLCKJSA-N
DG65712	"2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;perchlorate"	24202432	CHEMBL2000699; NSC656677; NSC-656677	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656677	.	.	.	.	487.8	C21H18ClN5O7	160	721	.	34	0	9	4	"InChI=1S/C21H18N5O3.ClHO4/c1-29-20-13-11-18(12-14-20)25-15-24(17-5-3-2-4-6-17)22-21(23-25)16-7-9-19(10-8-16)26(27)28;2-1(3,4)5/h2-14H,15H2,1H3;(H,2,3,4,5)/q+1;/p-1"	COC1=CC=C(C=C1)[N+]2=NC(=NN(C2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-].[O-]Cl(=O)(=O)=O	IMMKGUBYCGURGU-UHFFFAOYSA-M
DG65713	"[3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl pentanoate;iodide"	24202441	CHEMBL2000286; NSC658083; NSC-658083	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658083	.	.	.	.	656.6	C28H41IN4O6	112	778	.	39	2	7	15	"InChI=1S/C28H40N4O6.HI/c1-6-7-12-25(33)38-18-31-13-8-10-21(15-31)26-23(17-37-28(35)30-20(4)5)22(24-11-9-14-32(24)26)16-36-27(34)29-19(2)3;/h8,10,13,15,19-20H,6-7,9,11-12,14,16-18H2,1-5H3,(H-,29,30,34,35);1H"	CCCCC(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]	GRKSEJKGGBCZRY-UHFFFAOYSA-N
DG65714	"[4-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl heptanoate;iodide"	24202442	CHEMBL1971457; NSC658104; NSC-658104	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658104	.	.	.	.	684.6	C30H45IN4O6	112	801	.	41	2	7	17	"InChI=1S/C30H44N4O6.HI/c1-6-7-8-9-12-27(35)40-20-33-16-13-23(14-17-33)28-25(19-39-30(37)32-22(4)5)24(26-11-10-15-34(26)28)18-38-29(36)31-21(2)3;/h13-14,16-17,21-22H,6-12,15,18-20H2,1-5H3,(H-,31,32,36,37);1H"	CCCCCCC(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]	LUYWSGDFNPTPIK-UHFFFAOYSA-N
DG65715	"[4-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl pentanoate;iodide"	24202443	CHEMBL1984305; NSC658106; NSC-658106	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658106	.	.	.	.	656.6	C28H41IN4O6	112	770	.	39	2	7	15	"InChI=1S/C28H40N4O6.HI/c1-6-7-10-25(33)38-18-31-14-11-21(12-15-31)26-23(17-37-28(35)30-20(4)5)22(24-9-8-13-32(24)26)16-36-27(34)29-19(2)3;/h11-12,14-15,19-20H,6-10,13,16-18H2,1-5H3,(H-,29,30,34,35);1H"	CCCCC(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]	BBAJSZQIFKAJBO-UHFFFAOYSA-N
DG65716	"(2E,4E,6Z,8E)-N-(1,3-benzodioxol-5-yl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide"	24202490	NSC672131; NSC-672131	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672131	.	.	.	.	419.6	C27H33NO3	47.6	812	7.1	31	1	3	6	"InChI=1S/C27H33NO3/c1-19(11-13-23-21(3)10-7-15-27(23,4)5)8-6-9-20(2)16-26(29)28-22-12-14-24-25(17-22)31-18-30-24/h6,8-9,11-14,16-17H,7,10,15,18H2,1-5H3,(H,28,29)/b9-6+,13-11+,19-8-,20-16+"	CC1=C(C(CCC1)(C)C)/C=C/C(=C\\C=C\\C(=C\\C(=O)NC2=CC3=C(C=C2)OCO3)\\C)/C	DOOSIIKTOPOTGM-FEILZYSXSA-N
DG65717	"N,N-diethylethanamine;6-[2-(4-hydroxy-3-nitrophenyl)ethylamino]-1H-benzimidazole-4,7-dione"	24202492	CHEMBL1996096; NSC673320; NSC-673320	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673320	.	.	.	.	429.5	C21H27N5O5	144	598	.	31	3	8	7	"InChI=1S/C15H12N4O5.C6H15N/c20-11-2-1-8(5-10(11)19(23)24)3-4-16-9-6-12(21)13-14(15(9)22)18-7-17-13;1-4-7(5-2)6-3/h1-2,5-7,16,20H,3-4H2,(H,17,18);4-6H2,1-3H3"	CCN(CC)CC.C1=CC(=C(C=C1CCNC2=CC(=O)C3=C(C2=O)NC=N3)[N+](=O)[O-])O	AEHSNFQJTOLLID-UHFFFAOYSA-N
DG65718	Concanamycin C	24202503	Concanamycin C; 81552-34-3; CHEMBL1991091; NSC674621; NSC-674621	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674621	.	.	.	.	823.1	C45H74O13	194	1460	6	58	6	13	10	"InChI=1S/C45H74O13/c1-13-16-34-28(7)37(56-38-22-33(46)42(50)31(10)55-38)23-45(52,58-34)30(9)41(49)29(8)43-35(53-11)18-15-17-24(3)19-26(5)39(47)32(14-2)40(48)27(6)20-25(4)21-36(54-12)44(51)57-43/h13,15-18,20-21,26-35,37-43,46-50,52H,14,19,22-23H2,1-12H3/b16-13+,18-15+,24-17+,25-20+,36-21-/t26-,27-,28-,29+,30+,31 ,32+,33 ,34-,35+,37+,38 ,39+,40-,41-,42 ,43-,45-/m1/s1"	CC[C@H]1[C@H]([C@@H](C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@@H]([C@@H]([C@H](O2)/C=C/C)C)OC3CC(C(C(O3)C)O)O)O)O)OC)/C)C)O	XKYYLWWOGLVPOR-SVJPWFAWSA-N
DG65719	"2,2-syn-2-[2',3'-dihydroxypropylmercapto] brefeldin A"	24202568	"NSC690978; NSC-690978; 2,2-syn-2-[2',3'-dihydroxypropylmercapto] brefeldin A"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690978	.	.	.	.	388.5	C19H32O6S	133	471	1.1	26	4	7	4	"InChI=1S/C19H32O6S/c1-12-5-3-2-4-6-13-7-14(21)8-16(13)19(24)17(9-18(23)25-12)26-11-15(22)10-20/h4,6,12-17,19-22,24H,2-3,5,7-11H2,1H3/b6-4+/t12-,13+,14-,15 ,16+,17-,19-/m0/s1"	C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H]([C@H](CC(=O)O1)SCC(CO)O)O)O	OGJVIHGFTHNAGM-CQGJOIFTSA-N
DG65720	"2,3-Dihydro-3(R)-[S-(L)-cysteinyl-]-brefeldin A"	24202569	"NSC691433; NSC-691433; 2,3-Dihydro-3(R)-[S-(L)-cysteinyl-]-brefeldin A"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691433	.	.	.	.	401.5	C19H31NO6S	155	542	-1.2	27	4	8	4	"InChI=1S/C19H31NO6S/c1-11-5-3-2-4-6-12-7-13(21)8-14(12)18(23)16(9-17(22)26-11)27-10-15(20)19(24)25/h4,6,11-16,18,21,23H,2-3,5,7-10,20H2,1H3,(H,24,25)/b6-4+/t11-,12+,13-,14+,15-,16-,18-/m0/s1"	C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H]([C@H](CC(=O)O1)SC[C@@H](C(=O)O)N)O)O	UTLVQKPJUSBZSP-UYPORCOCSA-N
DG65721	"2,2-syn-2-[2'-aminopropylsulfenyl]-brefeldin A"	24202571	"NSC692306; NSC-692306; 2,2-syn-2-[2'-aminopropylsulfenyl]-brefeldin A"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692306	.	.	.	.	373.5	C18H31NO5S	129	498	0.3	25	3	7	3	"InChI=1S/C18H31NO5S/c1-12-5-3-2-4-6-13-9-14(20)10-15(13)18(22)16(11-17(21)24-12)25(23)8-7-19/h4,6,12-16,18,20,22H,2-3,5,7-11,19H2,1H3/b6-4+/t12-,13+,14-,15+,16-,18-,25 /m0/s1"	C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H]([C@H](CC(=O)O1)S(=O)CCN)O)O	IRCDUPSHISIJOZ-FINUKYLLSA-N
DG65722	"2,6-Dipyridin-2-ylpyridine;4-methylpyridine;platinum(2+);tetrafluoroborate"	24202574	NSC694500; NSC-694500	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694500	.	.	.	.	608.3	C21H18BF4N4Pt+	51.6	357	.	31	0	9	0	"InChI=1S/C15H11N3.C6H7N.BF4.Pt/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-6-2-4-7-5-3-6;2-1(3,4)5;/h1-11H;2-5H,1H3;;/q;;-1;+2"	[B-](F)(F)(F)F.CC1=CC=NC=C1.C1=CC=NC(=C1)C2=NC(=CC=C2)C3=CC=CC=N3.[Pt+2]	YHBIZGKETGAKNE-UHFFFAOYSA-N
DG65723	"1,3,10,11-tetrahydro-2,3,10,11-tetrahydroxy-brefeldin A"	24202575	"NSC694611; NSC-694611; 1,3,10,11-tetrahydro-2,3,10,11-tetrahydroxy-brefeldin A"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694611	.	.	.	.	576.9	C28H56O8Si2	126	791	.	38	4	8	6	"InChI=1S/C28H56O8Si2/c1-17-13-12-14-21(29)22(30)19-15-18(35-37(8,9)27(2,3)4)16-20(19)25(23(31)24(32)26(33)34-17)36-38(10,11)28(5,6)7/h17-25,29-32H,12-16H2,1-11H3/t17-,18-,19+,20+,21 ,22 ,23 ,24 ,25-/m0/s1"	C[C@H]1CCCC(C([C@@H]2C[C@@H](C[C@H]2[C@@H](C(C(C(=O)O1)O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O)O	NLARHYFRFHJEHV-RWEOQDGOSA-N
DG65724	"2,2-syn-2-[carbomethoxymethylsulphonyl]-10,11-epoxy-brefeldin A"	24202576	"NSC694612; NSC-694612; 2,2-syn-2-[carbomethoxymethylsulphonyl]-10,11-epoxy-brefeldin A"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694612	.	.	.	.	434.5	C19H30O9S	148	716	0.8	29	2	9	4	"InChI=1S/C19H30O9S/c1-10-4-3-5-14-19(28-14)13-7-11(20)6-12(13)18(23)15(8-16(21)27-10)29(24,25)9-17(22)26-2/h10-15,18-20,23H,3-9H2,1-2H3/t10-,11+,12+,13+,14 ,15-,18-,19 /m0/s1"	C[C@H]1CCCC2C(O2)[C@@H]3C[C@@H](C[C@H]3[C@@H]([C@H](CC(=O)O1)S(=O)(=O)CC(=O)OC)O)O	XYODRWJTLUUCLC-GTFMIFQYSA-N
DG65725	"2,2-syn-2-[N,N-dimethylaminoethylsulfenyl]-brefeldin A"	24202582	"NSC695859; NSC-695859; 2,2-syn-2-[N,N-dimethylaminoethylsulfenyl]-brefeldin A"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	695859	.	.	.	.	401.6	C20H35NO5S	106	539	1.3	27	2	7	4	"InChI=1S/C20H35NO5S/c1-14-7-5-4-6-8-15-11-16(22)12-17(15)20(24)18(13-19(23)26-14)27(25)10-9-21(2)3/h6,8,14-18,20,22,24H,4-5,7,9-13H2,1-3H3/b8-6+/t14-,15+,16-,17+,18-,20-,27 /m0/s1"	C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H]([C@H](CC(=O)O1)S(=O)CCN(C)C)O)O	GXQNJTBOERVAFD-XEGASWIMSA-N
DG65726	"2,2-syn-2-[S-(L)-cysteinylsulfoxide-]-brefeldin A"	24202584	"NSC696257; NSC-696257; 2,2-syn-2-[S-(L)-cysteinylsulfoxide-]-brefeldin A"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696257	.	.	.	.	417.5	C19H31NO7S	166	611	-2.3	28	4	9	4	"InChI=1S/C19H31NO7S/c1-11-5-3-2-4-6-12-7-13(21)8-14(12)18(23)16(9-17(22)27-11)28(26)10-15(20)19(24)25/h4,6,11-16,18,21,23H,2-3,5,7-10,20H2,1H3,(H,24,25)/b6-4+/t11-,12+,13-,14+,15+,16-,18-,28 /m0/s1"	C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H]([C@H](CC(=O)O1)S(=O)C[C@H](C(=O)O)N)O)O	GWXPRYCNCLTKGI-ABZSLSCJSA-N
DG65727	Doxoform	24202589	Doxoform; CHEMBL406294; NSC699490; NSC-699490	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699490	.	.	.	.	1123.1	C57H58N2O22	345	2290	5.1	81	8	24	12	"InChI=1S/C57H58N2O22/c1-22-54-28(11-36(78-22)80-32-15-56(72,34(62)17-60)13-26-40(32)52(70)44-42(48(26)66)46(64)24-7-5-9-30(74-3)38(24)50(44)68)58(20-76-54)19-59-21-77-55-23(2)79-37(12-29(55)59)81-33-16-57(73,35(63)18-61)14-27-41(33)53(71)45-43(49(27)67)47(65)25-8-6-10-31(75-4)39(25)51(45)69/h5-10,22-23,28-29,32-33,36-37,54-55,60-61,66-67,70-73H,11-21H2,1-4H3/t22 ,23 ,28 ,29 ,32-,33-,36 ,37 ,54 ,55 ,56-,57-/m0/s1"	CC1C2C(CC(O1)O[C@H]3C[C@@](CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)CO)O)N(CO2)CN7COC8C7CC(OC8C)O[C@H]9C[C@@](CC1=C9C(=C2C(=C1O)C(=O)C1=C(C2=O)C(=CC=C1)OC)O)(C(=O)CO)O	ZZUVBKWGQQCRMJ-BCNYZFJLSA-N
DG65728	"Card-20(22)-enolide, (3beta,5.beta)-"	24202596	"Odoroside H; 18810-25-8; NSC707148; NSC-707148; Card-20(22)-enolide, (3.beta.,5.beta)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707148	.	.	.	.	534.7	C30H46O8	115	968	2.1	38	3	8	4	"InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16 ,18-,19+,20 ,21+,22-,24 ,25 ,26 ,27 ,28+,29-,30+/m1/s1"	CC1C(C(C(C(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O	VPUNMTHWNSJUOG-QWKCNQPQSA-N
DG65729	"6,7-bis(4-methoxyphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one"	24202597	CHEMBL249484; NSC707907; NSC-707907	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707907	.	.	.	.	349.4	C22H23NO3	38.8	542	3.6	26	0	3	4	"InChI=1S/C22H23NO3/c1-25-18-9-5-15(6-10-18)20-14-17-4-3-13-23(17)22(24)21(20)16-7-11-19(26-2)12-8-16/h5-12,17H,3-4,13-14H2,1-2H3"	COC1=CC=C(C=C1)C2=C(C(=O)N3CCCC3C2)C4=CC=C(C=C4)OC	UAYCRIGNNUIBHW-UHFFFAOYSA-N
DG65730	"6-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one"	24202598	CHEMBL250096; NSC707909; NSC-707909	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707909	.	.	.	.	379.4	C23H25NO4	48	595	3.6	28	0	4	5	"InChI=1S/C23H25NO4/c1-26-18-9-6-15(7-10-18)19-14-17-5-4-12-24(17)23(25)22(19)16-8-11-20(27-2)21(13-16)28-3/h6-11,13,17H,4-5,12,14H2,1-3H3"	COC1=CC=C(C=C1)C2=C(C(=O)N3CCCC3C2)C4=CC(=C(C=C4)OC)OC	NFGKYXUHHNKSTQ-UHFFFAOYSA-N
DG65731	"Brefeldin A,3-dihydro-(2R)-(3'-aminophenylsulfinyl)-"	24202618	"376648-13-4; CHEMBL129810; DTXSID80639796; PUBCHEM_24202618; NSC713771; NSC-713771; Brefeldin A,3-dihydro-(2R)-(3'-aminophenylsulfinyl)-; 4H-Cyclopent[f]oxacyclotridecin-4-one,2,3,6,7,8,9,11a,12,13,14,14a-dodecahydro- 1,13-dihydroxy-6-methyl-, (1S,2R,6S,10E,11aS,13S,14aR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713771	.	.	.	.	421.6	C22H31NO5S	129	612	2.3	29	3	7	2	"InChI=1S/C22H31NO5S/c1-14-6-3-2-4-7-15-10-17(24)12-19(15)22(26)20(13-21(25)28-14)29(27)18-9-5-8-16(23)11-18/h4-5,7-9,11,14-15,17,19-20,22,24,26H,2-3,6,10,12-13,23H2,1H3/b7-4+/t14-,15+,17-,19+,20+,22-,29 /m0/s1"	C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H]([C@@H](CC(=O)O1)S(=O)C3=CC=CC(=C3)N)O)O	SNQFDHZTBOVQLH-NUGSJCHZSA-N
DG65732	"(8E)-8-[(3,4-dichlorophenyl)methylidene]-2-methyl-5-phenyl-2-azabicyclo[3.3.1]nonan-7-one;perchloric acid"	24202621	CHEMBL1987501; NSC715577; NSC-715577	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715577	.	.	.	.	486.8	C22H22Cl3NO5	91.8	685	.	31	1	6	2	"InChI=1S/C22H21Cl2NO.ClHO4/c1-25-10-9-22(16-5-3-2-4-6-16)13-20(25)17(21(26)14-22)11-15-7-8-18(23)19(24)12-15;2-1(3,4)5/h2-8,11-12,20H,9-10,13-14H2,1H3;(H,2,3,4,5)/b17-11+;"	CN1CCC2(CC1/C(=C\\C3=CC(=C(C=C3)Cl)Cl)/C(=O)C2)C4=CC=CC=C4.OCl(=O)(=O)=O	OPWPTFFUELNNBS-SJDTYFKWSA-N
DG65733	methyl (E)-3-[2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]phenyl]prop-2-enoate	24202623	CHEMBL1992237; NSC716715; NSC-716715	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716715	.	.	.	.	329.4	C18H19NO3S	64.099	541	4.2	23	0	4	5	"InChI=1S/C18H19NO3S/c1-14-8-11-16(12-9-14)23(3,21)19-17-7-5-4-6-15(17)10-13-18(20)22-2/h4-13H,1-3H3/b13-10+/t23-/m1/s1"	CC1=CC=C(C=C1)[S@](=NC2=CC=CC=C2/C=C/C(=O)OC)(=O)C	HXCNQNHQQXBSSI-UQNNOOFXSA-N
DG65734	"2-[(3Z,9Z)-12-(2-cyanophenyl)dodeca-3,9-dien-1,5,7,11-tetraynyl]benzonitrile"	24202651	NSC725625; NSC-725625	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725625	.	.	.	.	352.4	C26H12N2	47.6	897	5.8	28	0	2	3	"InChI=1S/C26H12N2/c27-21-25-19-13-11-17-23(25)15-9-7-5-3-1-2-4-6-8-10-16-24-18-12-14-20-26(24)22-28/h5-8,11-14,17-20H/b7-5-,8-6-"	C1=CC=C(C(=C1)C#C/C=C\\C#CC#C/C=C\\C#CC2=CC=CC=C2C#N)C#N	CEFMGRGJIKKDLF-SFECMWDFSA-N
DG65735	"N(2-Pyridyl),N'{2-(4-phenylene)benzothiazole}thiourea"	24202656	"NSC725660; NSC-725660; N(2-Pyridyl),N'{2-(4-phenylene)benzothiazole}thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725660	.	.	.	.	362.5	C19H14N4S2	110	453	4.7	25	2	4	3	"InChI=1S/C19H14N4S2/c24-19(23-17-7-3-4-12-20-17)21-14-10-8-13(9-11-14)18-22-15-5-1-2-6-16(15)25-18/h1-12H,(H2,20,21,23,24)"	C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=CC=CC=N4	GJBBHYXCNUZRBG-UHFFFAOYSA-N
DG65736	"N(p-Chlorophenyl),N'{2-(4-phenylene)benzoxazole}thiourea"	24202660	"CHEMBL4536096; BDBM50507565; NSC725664; NSC-725664; N(p-Chlorophenyl),N'{2-(4-phenylene)benzoxazole}thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725664	.	.	.	.	379.9	C20H14ClN3OS	82.2	478	5.2	26	2	3	3	"InChI=1S/C20H14ClN3OS/c21-14-7-11-16(12-8-14)23-20(26)22-15-9-5-13(6-10-15)19-24-17-3-1-2-4-18(17)25-19/h1-12H,(H2,22,23,26)"	C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)Cl	ZSAQTQMZKKFNOU-UHFFFAOYSA-N
DG65737	"N 4-(2-Phenylbenzothiazole),N'(p-chlorophenyl)thiourea"	24202662	"NSC725674; NSC-725674; N 4-(2-Phenylbenzothiazole),N'(p-chlorophenyl)thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725674	.	.	.	.	395.9	C20H14ClN3S2	97.3	476	6.1	26	2	3	3	"InChI=1S/C20H14ClN3S2/c21-14-7-11-16(12-8-14)23-20(25)22-15-9-5-13(6-10-15)19-24-17-3-1-2-4-18(17)26-19/h1-12H,(H2,22,23,25)"	C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)Cl	SVDMFZXSRALRAJ-UHFFFAOYSA-N
DG65738	isobutyryl(-3)[butanoyl(-4)]6-deoxy-Hex( 1-2)[isobutyryl(-4)][isobutyryl(-6)]Hex-O-Bu	24202677	NSC725700; NSC-725700	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725700	.	.	.	.	662.8	C32H54O14	183	984	3.8	46	2	14	20	"InChI=1S/C32H54O14/c1-10-12-14-39-32-27(22(34)25(44-29(37)17(5)6)20(42-32)15-40-28(36)16(3)4)46-31-23(35)26(45-30(38)18(7)8)24(19(9)41-31)43-21(33)13-11-2/h16-20,22-27,31-32,34-35H,10-15H2,1-9H3"	CCCCOC1C(C(C(C(O1)COC(=O)C(C)C)OC(=O)C(C)C)O)OC2C(C(C(C(O2)C)OC(=O)CCC)OC(=O)C(C)C)O	OYXOEGDEVNJWDM-UHFFFAOYSA-N
DG65739	"N-(3-benzyl-4-oxo-thieno[3,4-d]pyrimidin-2-yl)-4-chloro-5-methyl-2-sulfanyl-benzenesulfonamide"	24202747	"CHEMBL462344; BDBM50479223; NSC725846; NSC-725846; N-[3-Benzyl-3,4-e]pyrimidin-2-yl]-4- chloro-2-mercapto-5-methylbenzenesulfonamide; N-(3-benzyl-4-oxo-thieno[3,4-d]pyrimidin-2-yl)-4-chloro-5-methyl-2-sulfanyl-benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725846	.	.	.	.	478	C20H16ClN3O3S3	117	782	4.1	30	2	6	5	"InChI=1S/C20H16ClN3O3S3/c1-12-7-18(17(28)8-15(12)21)30(26,27)23-20-22-16-11-29-10-14(16)19(25)24(20)9-13-5-3-2-4-6-13/h2-8,10-11,28H,9H2,1H3,(H,22,23)"	CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CSC=C3C(=O)N2CC4=CC=CC=C4	KXBLDOASQRKYMG-UHFFFAOYSA-N
DG65740	"4-Chloro-N-[3-furfuryl-3,4-dihydro-4-oxoquinazolin-3-yl)-2-m ercapto-5-methyl-benzenesulfonamide"	24202749	"CHEMBL518513; BDBM50479213; NSC725848; NSC-725848; 4-Chloro-N-[3-furfuryl-3,4-dihydro-4-oxoquinazolin-3-yl)-2-m ercapto-5-methyl-benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725848	.	.	.	.	461.9	C20H16ClN3O4S2	101	787	3.6	30	2	6	5	"InChI=1S/C20H16ClN3O4S2/c1-12-9-18(17(29)10-15(12)21)30(26,27)23-20-22-16-7-3-2-6-14(16)19(25)24(20)11-13-5-4-8-28-13/h2-10,29H,11H2,1H3,(H,22,23)"	CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4	GWCWBBJIAQRAOI-UHFFFAOYSA-N
DG65741	"4,4-Piperazinediyl)bisbenzenecarboximidamide, dihydrochloride"	24202755	"123885-92-7; NSC725901; NSC-725901; 4,4-piperazinediyl)bisbenzenecarboximidamide, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725901	.	.	.	.	358.9	C18H23ClN6	106	398	.	25	5	4	4	"InChI=1S/C18H22N6.ClH/c19-17(20)13-1-5-15(6-2-13)23-9-11-24(12-10-23)16-7-3-14(4-8-16)18(21)22;/h1-8H,9-12H2,(H3,19,20)(H3,21,22);1H"	C1CN(CCN1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N.Cl	PGIPCFMMASQELS-UHFFFAOYSA-N
DG65742	"N,4'-(1,4-piperazinediyl)bisbenzenecarboxamidamide, dihydrochloride"	24202756	"NSC725903; NSC-725903; N,4'-(1,4-piperazinediyl)bisbenzenecarboxamidamide, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725903	.	.	.	.	471.1	C26H39ClN6	83.2	527	.	33	3	4	10	"InChI=1S/C26H38N6.ClH/c1-3-5-15-29-25(27)21-7-11-23(12-8-21)31-17-19-32(20-18-31)24-13-9-22(10-14-24)26(28)30-16-6-4-2;/h7-14H,3-6,15-20H2,1-2H3,(H2,27,29)(H2,28,30);1H"	CCCCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCCC)N)N.Cl	LVFKNORPDTVTMQ-UHFFFAOYSA-N
DG65743	3'-C-ethynylcytidylyl-(5'->5')-5-fluoro-2'-deoxyuridine	24202801	NSC725985; NSC-725985; 3'-C-ethynylcytidylyl-(5'->5')-5-fluoro-2'-deoxyuridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725985	.	.	.	.	575.4	C20H23FN5O12P	243	1250	-4.9	39	6	13	9	"InChI=1S/C20H23FN5O12P/c1-2-20(32)12(38-17(15(20)28)25-4-3-13(22)23-18(25)30)8-36-39(33,34)35-7-11-10(27)5-14(37-11)26-6-9(21)16(29)24-19(26)31/h1,3-4,6,10-12,14-15,17,27-28,32H,5,7-8H2,(H,33,34)(H2,22,23,30)(H,24,29,31)"	C#CC1(C(OC(C1O)N2C=CC(=NC2=O)N)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)O)O	VBMGTDYZLRFRRJ-UHFFFAOYSA-N
DG65744	N'-benzyl-4-[4-[4-(N'-benzylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride	24202803	NSC725987; NSC-725987	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725987	.	.	.	.	539.1	C32H35ClN6	83.2	680	.	39	3	4	8	"InChI=1S/C32H34N6.ClH/c33-31(35-23-25-7-3-1-4-8-25)27-11-15-29(16-12-27)37-19-21-38(22-20-37)30-17-13-28(14-18-30)32(34)36-24-26-9-5-2-6-10-26;/h1-18H,19-24H2,(H2,33,35)(H2,34,36);1H"	C1CN(CCN1C2=CC=C(C=C2)C(=NCC3=CC=CC=C3)N)C4=CC=C(C=C4)C(=NCC5=CC=CC=C5)N.Cl	XRIJNOSFZVKRGJ-UHFFFAOYSA-N
DG65745	"1,4-bis[4-(1H-benzimidazol-2-yl)phenyl]piperazine"	24202806	"NSC725993; NSC-725993; 1,4-bis[4-(1H-benzimidazol-2-yl)phenyl]piperazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725993	.	.	.	.	507	C30H27ClN6	63.8	648	.	37	3	4	4	"InChI=1S/C30H26N6.ClH/c1-2-6-26-25(5-1)31-29(32-26)21-9-13-23(14-10-21)35-17-19-36(20-18-35)24-15-11-22(12-16-24)30-33-27-7-3-4-8-28(27)34-30;/h1-16H,17-20H2,(H,31,32)(H,33,34);1H"	C1CN(CCN1C2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)C6=NC7=CC=CC=C7N6.Cl	JSKIPOMMYWRTKJ-UHFFFAOYSA-N
DG65746	2-cyano-3-(9-ethyl-9H-carbazol-3-yl)thioacrylamide	24202813	MLS002702499; 2-cyano-3-(9-ethyl-9H-carbazol-3-yl)thioacrylamide; CHEMBL1718825; NSC726031; NSC-726031; SMR001566060	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726031	.	.	.	.	305.4	C18H15N3S	86.8	518	3.5	22	1	2	3	"InChI=1S/C18H15N3S/c1-2-21-16-6-4-3-5-14(16)15-10-12(7-8-17(15)21)9-13(11-19)18(20)22/h3-10H,2H2,1H3,(H2,20,22)/b13-9-"	CCN1C2=C(C=C(C=C2)/C=C(/C#N)\\C(=S)N)C3=CC=CC=C31	FZRIEBKAYQIEOT-LCYFTJDESA-N
DG65747	2-[[(E)-(Benzo[b]thiophene-3-yl)methylene]amino]-3-aminomaleonitrile	24202815	NSC726033; NSC-726033; 2-[[(E)-(Benzo[b]thiophene-3-yl)methylene]amino]-3-aminomaleonitrile; (2Z)-2-amino-3-{[(1E)-1-benzothien-3-ylmethylene]amino}but-2 -enedinitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726033	.	.	.	.	252.3	C13H8N4S	114	476	2	18	1	5	2	"InChI=1S/C13H8N4S/c14-5-11(16)12(6-15)17-7-9-8-18-13-4-2-1-3-10(9)13/h1-4,7-8H,16H2/b12-11-,17-7 "	C1=CC=C2C(=C1)C(=CS2)C=N/C(=C(/C#N)\\N)/C#N	NUUNIYSJLDAZHW-JYARQQABSA-N
DG65748	Sarcoviolin	24202820	sarcoviolin; NSC726045; NSC-726045	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726045	.	.	.	.	594.6	C30H30N2O11	192	1300	3.9	43	5	11	6	"InChI=1S/C30H30N2O11/c1-5-14(3)23-28(38)32(41)30(15(4)6-2,29(39)31(23)40)42-20-13-17(9-12-19(20)43-32)22-26(36)24(34)21(25(35)27(22)37)16-7-10-18(33)11-8-16/h7-15,33-34,37-38,40H,5-6H2,1-4H3"	CCC(C)C1=C([N+]2(C(C(=O)N1O)(OC3=C(O2)C=CC(=C3)C4=C(C(=O)C(=C(C4=O)O)C5=CC=C(C=C5)O)O)C(C)CC)[O-])O	HEXAABFDZKPMQT-UHFFFAOYSA-N
DG65749	"Acetic acid [4-(3,4-dimethoxyphenyl)-7-keto-6-methylene-4,5-dihydrobenzothiophen-5-yl]methyl ester"	24202844	"MLS002702500; SMR001566061; CHEMBL1711797; BDBM83281; cid_24202844; NSC726085; NSC-726085; [4-(3,4-dimethoxyphenyl)-6-methylidene-7-oxidanylidene-4,5-dihydro-1-benzothiophen-5-yl]methyl ethanoate; [4-(3,4-dimethoxyphenyl)-6-methylidene-7-oxo-4,5-dihydro-1-benzothiophen-5-yl]methyl acetate; acetic acid [4-(3,4-dimethoxyphenyl)-6-methylene-7-oxo-4,5-dihydro-1-benzothiophen-5-yl]methyl ester; acetic acid [4-(3,4-dimethoxyphenyl)-7-keto-6-methylene-4,5-dihydrobenzothiophen-5-yl]methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726085	.	.	.	.	372.4	C20H20O5S	90.1	562	3.7	26	0	6	6	"InChI=1S/C20H20O5S/c1-11-15(10-25-12(2)21)18(14-7-8-26-20(14)19(11)22)13-5-6-16(23-3)17(9-13)24-4/h5-9,15,18H,1,10H2,2-4H3"	CC(=O)OCC1C(C2=C(C(=O)C1=C)SC=C2)C3=CC(=C(C=C3)OC)OC	PVXHLLQGGGFFSZ-UHFFFAOYSA-N
DG65750	"1,5-a]Indolium trifluoromethanesulfonate"	24202845	"NSC726087; NSC-726087; 1,5-a ]indolium trifluoromethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726087	.	.	.	.	541.6	C28H26F3N3O3S	77.6	758	.	38	0	7	3	"InChI=1S/C27H26N3.CHF3O3S/c1-19-10-15-23-24(17-20-11-13-22(14-12-20)28(2)3)27-18-25(21-8-6-5-7-9-21)29(4)30(27)26(23)16-19;2-1(3,4)8(5,6)7/h5-18H,1-4H3;(H,5,6,7)/q+1;/p-1"	CC1=CC2=C(C=C1)/C(=C/C3=CC=C(C=C3)N(C)C)/C4=CC(=[N+](N42)C)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]	FCBDAWQXMGEGFO-UHFFFAOYSA-M
DG65751	"11-(4-dimethylaminobenzyliden)-8-methoxy-5-methyl-11H-indolo [1,2-b]indazolium trifluoromethanesulfonate"	24202849	"NSC726089; NSC-726089; 11-(4-dimethylaminobenzyliden)-8-methoxy-5-methyl-11H-indolo [1,2-b]indazolium trifluoromethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726089	.	.	.	.	531.5	C26H24F3N3O4S	86.9	756	.	37	0	8	3	"InChI=1S/C25H24N3O.CHF3O3S/c1-26(2)18-11-9-17(10-12-18)15-22-20-7-5-6-8-23(20)28-25(22)21-14-13-19(29-4)16-24(21)27(28)3;2-1(3,4)8(5,6)7/h5-16H,1-4H3;(H,5,6,7)/q+1;/p-1"	C[N+]1=C2C=C(C=CC2=C\\3N1C4=CC=CC=C4/C3=C/C5=CC=C(C=C5)N(C)C)OC.C(F)(F)(F)S(=O)(=O)[O-]	RFZPAEVEBWMZQT-UHFFFAOYSA-M
DG65752	"4a,5a-Epoxyhelianol"	24202869	"4a,5a-Epoxyhelianol; NSC726133; NSC-726133"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726133	.	.	.	.	444.7	C30H52O2	32.8	735	8.6	32	1	2	7	"InChI=1S/C30H52O2/c1-21(2)11-9-12-22(3)23-14-16-29(8)24-15-17-30(26(4,5)32-30)25(13-10-20-31)27(24,6)18-19-28(23,29)7/h11,22-25,31H,9-10,12-20H2,1-8H3/t22-,23-,24 ,25 ,27+,28-,29+,30-/m0/s1"	C[C@@H](CCC=C(C)C)[C@@H]1CC[C@]2([C@]1(CC[C@@]3(C2CC[C@]4(C3CCCO)C(O4)(C)C)C)C)C	AYKJELVQNBIBDG-HVNHQXPWSA-N
DG65753	"(2S,3S,7aS)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-5-one"	24202877	NSC726146; NSC-726146	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726146	.	.	.	.	196.2	C10H12O4	55.8	305	-0.1	14	1	4	1	"InChI=1S/C10H12O4/c1-2-3-8-7(11)4-6-9(14-8)5-13-10(6)12/h2-4,7-9,11H,5H2,1H3/b3-2+/t7-,8-,9+/m0/s1"	C/C=C/[C@H]1[C@H](C=C2[C@H](O1)COC2=O)O	IYMLXBSWXCVNJO-FLIYXMKFSA-N
DG65754	"N,4,5,6-tetrahydropyrimidine-2-yl)phenyl]homopip erazine"	24202881	"NSC726150; NSC-726150; N,4,5,6-tetrahydropyrimidine-2-yl)phenyl]homopip erazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726150	.	.	.	.	453	C25H33ClN6	55.3	576	.	32	3	4	4	"InChI=1S/C25H32N6.ClH/c1-12-26-24(27-13-1)20-4-8-22(9-5-20)30-16-3-17-31(19-18-30)23-10-6-21(7-11-23)25-28-14-2-15-29-25;/h4-11H,1-3,12-19H2,(H,26,27)(H,28,29);1H"	C1CNC(=NC1)C2=CC=C(C=C2)N3CCCN(CC3)C4=CC=C(C=C4)C5=NCCCN5.Cl	IBBGPHIMJSBWON-UHFFFAOYSA-N
DG65755	"N,N'-bis(4-amidinophenyl)homopiperazine"	24202882	"NSC726151; NSC-726151; N,N'-bis(4-amidinophenyl)homopiperazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726151	.	.	.	.	372.9	C19H25ClN6	106	421	.	26	5	4	4	"InChI=1S/C19H24N6.ClH/c20-18(21)14-2-6-16(7-3-14)24-10-1-11-25(13-12-24)17-8-4-15(5-9-17)19(22)23;/h2-9H,1,10-13H2,(H3,20,21)(H3,22,23);1H"	C1CN(CCN(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N.Cl	QYEPSCYCZPVVGL-UHFFFAOYSA-N
DG65756	"1,4,5,6-Tetrahydropyrimidine-2-yl)phenyl]piperazi ne"	24202883	"NSC726152; NSC-726152; 1,4,5,6-tetrahydropyrimidine-2-yl)phenyl]piperazi ne"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726152	.	.	.	.	439	C24H31ClN6	55.3	553	.	31	3	4	4	"InChI=1S/C24H30N6.ClH/c1-11-25-23(26-12-1)19-3-7-21(8-4-19)29-15-17-30(18-16-29)22-9-5-20(6-10-22)24-27-13-2-14-28-24;/h3-10H,1-2,11-18H2,(H,25,26)(H,27,28);1H"	C1CNC(=NC1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C5=NCCCN5.Cl	VRNJJNCUBKYMTE-UHFFFAOYSA-N
DG65757	NSC726178	24202892	"2-[2-(5-bromo-2,6,6-trimethyloxan-2-yl)-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-6-(2-hydroxy-3-methoxy-4-methylpent-4-enyl)-2,6-dimethyloxan-4-ol; NSC726178; NSC-726178"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726178	.	.	.	.	617.7	C31H53BrO7	86.6	898	4.5	39	2	7	7	"InChI=1S/C31H53BrO7/c1-19(2)26(35-9)21(34)18-28(5)16-20(33)17-31(8,39-28)25-11-10-23-29(6,37-25)15-13-24(36-23)30(7)14-12-22(32)27(3,4)38-30/h20-26,33-34H,1,10-18H2,2-9H3"	CC(=C)C(C(CC1(CC(CC(O1)(C)C2CCC3C(O2)(CCC(O3)C4(CCC(C(O4)(C)C)Br)C)C)O)C)O)OC	YPKLZEROPGNXPU-UHFFFAOYSA-N
DG65758	"methyl 1-[(1R,6E,10E,14R)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]cyclopropane-1-carboxylate"	24202894	NSC726180; NSC-726180	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726180	.	.	.	.	346.5	C22H34O3	38.8	570	4.2	25	0	3	3	"InChI=1S/C22H34O3/c1-16-7-5-8-17(2)10-11-18(22(13-14-22)20(23)24-4)15-19-21(3,25-19)12-6-9-16/h8-9,18-19H,5-7,10-15H2,1-4H3/b16-9+,17-8+/t18 ,19-,21-/m1/s1"	C/C/1=C\\CC[C@@]2([C@H](O2)CC(CC/C(=C/CC1)/C)C3(CC3)C(=O)OC)C	ZJLINNRFYKKXGE-AOOWCRJMSA-N
DG65759	"(4S,7S,8E,12R)-4,12-dimethyl-9-propan-2-yl-7-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridec-8-en-6-one"	24202895	NSC726181; NSC-726181	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726181	.	.	.	.	304.5	C20H32O2	29.6	474	4.7	22	0	2	2	"InChI=1S/C20H32O2/c1-13(2)16-9-10-20(6)19(22-20)8-7-15(5)11-18(21)17(12-16)14(3)4/h12-13,15,17,19H,3,7-11H2,1-2,4-6H3/b16-12+/t15-,17-,19 ,20+/m0/s1"	C[C@H]1CCC2[C@](O2)(CC/C(=C\\[C@H](C(=O)C1)C(=C)C)/C(C)C)C	XCLKNXURBGEDOT-UIGJQEFRSA-N
DG65760	"1,4-di-N-oxide-2-isopropylcarbonyl-3-trifluoromethylquinoxal ine"	24202896	"CHEMBL1774863; NSC726186; NSC-726186; 1,4-di-N-oxide-2-isopropylcarbonyl-3-trifluoromethylquinoxal ine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726186	.	.	.	.	300.23	C13H11F3N2O3	63.4	499	1.9	21	0	7	2	"InChI=1S/C13H11F3N2O3/c1-7(2)11(19)10-12(13(14,15)16)18(21)9-6-4-3-5-8(9)17(10)20/h3-7H,1-2H3"	CC(C)C(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])C(F)(F)F	VYXLHTDRCABXDG-UHFFFAOYSA-N
DG65761	"21-(2-N,3,5(10)-triene-3-O-sulfamate"	24202898	"CHEMBL3805944; BDBM50168228; NSC732011; NSC-732011; 21-(2-N,3,5(10)-triene-3-O-sulfamate; 3-O-Sulfamoyloxy-7.alpha.-methyl-21-(2-N,3,5(10)-triene; 19-Norpregna-1,5(10)-trien-3-ol, 21-[2-(diethylamino)ethoxy]-7-methyl-, 3-sulfamate, (7.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732011	.	.	.	.	492.7	C27H44N2O4S	90.2	767	5.8	34	1	6	10	"InChI=1S/C27H44N2O4S/c1-5-29(6-2)14-16-32-15-12-21-7-10-25-26-19(3)17-20-18-22(33-34(28,30)31)8-9-23(20)24(26)11-13-27(21,25)4/h8-9,18-19,21,24-26H,5-7,10-17H2,1-4H3,(H2,28,30,31)/t19-,21-,24-,25+,26-,27-/m1/s1"	CCN(CC)CCOCC[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=C3C=CC(=C4)OS(=O)(=O)N)C)C	ASNNHMZDKNSENI-FYUXVVBBSA-N
DG65762	"2-Ethyl 3-[(6-ethyl, 5-(4-chlorophenyl) pyrimidin-2-yl)] quinazolin-4-one"	24202901	"NSC726194; NSC-726194; 2-ethyl 3-[(6-ethyl, 5-(4-chlorophenyl) pyrimidin-2-yl)] quinazolin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726194	.	.	.	.	405.9	C22H20ClN5O	84.5	620	4.3	29	1	5	4	"InChI=1S/C22H20ClN5O/c1-3-16-19(13-9-11-14(23)12-10-13)20(24)27-22(26-16)28-18(4-2)25-17-8-6-5-7-15(17)21(28)29/h5-12H,3-4H2,1-2H3,(H2,24,26,27)"	CCC1=C(C(=NC(=N1)N2C(=NC3=CC=CC=C3C2=O)CC)N)C4=CC=C(C=C4)Cl	QBFNQOTVIHNUGO-UHFFFAOYSA-N
DG65763	"2-Phenyl 3-[(6-ethyl, 5-(4-chlorophenyl) pyrimidin-2-yl)] quinazolin-4-one"	24202902	"NSC726195; NSC-726195; 2-phenyl 3-[(6-ethyl, 5-(4-chlorophenyl) pyrimidin-2-yl)] quinazolin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726195	.	.	.	.	453.9	C26H20ClN5O	84.5	718	5.4	33	1	5	4	"InChI=1S/C26H20ClN5O/c1-2-20-22(16-12-14-18(27)15-13-16)23(28)31-26(30-20)32-24(17-8-4-3-5-9-17)29-21-11-7-6-10-19(21)25(32)33/h3-15H,2H2,1H3,(H2,28,30,31)"	CCC1=C(C(=NC(=N1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4)N)C5=CC=C(C=C5)Cl	LDINHMNXBAKQAN-UHFFFAOYSA-N
DG65764	NSC726198	24202903	"(3aS,5aR,6aS,10aS,10cS)-4-Methoxy-7,7,10a,10c-tetramethyl-2,3a,4,5a,6,6a,7,8,9,10,10a,10c-dodecahydro-3H-5-oxa-acephe nanthrylene; NSC726198; NSC-726198; (3aS,5aR,6aS,10aS,10cS)-4-Methoxy-7,7,10a,10c-tetramethyl -2,3a,4,5a,6,6a,7,8,9,10,10a,10c-dodecahydro-3H-5-oxa-acephe nanthrylene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726198	.	.	.	.	304.5	C20H32O2	18.5	508	5.2	22	0	2	1	"InChI=1S/C20H32O2/c1-18(2)10-7-11-19(3)14-9-6-8-13-17(21-5)22-16(12-15(18)19)20(13,14)4/h9,13,15-17H,6-8,10-12H2,1-5H3/t13 ,15-,16+,17 ,19+,20-/m0/s1"	C[C@]12CCCC([C@@H]1C[C@@H]3[C@@]4(C2=CCCC4C(O3)OC)C)(C)C	JHOAYGACEGHGEA-MVJQVOQTSA-N
DG65765	"3-(3,5-trimethoxyphenyl)-4-phenyl-2(5H)-furanone"	24202904	"NSC726216; NSC-726216; 3-(3,5-trimethoxyphenyl)-4-phenyl-2(5H)-furanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726216	.	.	.	.	326.3	C19H18O5	54	466	2.9	24	0	5	5	"InChI=1S/C19H18O5/c1-21-15-9-13(10-16(22-2)18(15)23-3)17-14(11-24-19(17)20)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2=C(COC2=O)C3=CC=CC=C3	AMVBBIDADWUNEN-UHFFFAOYSA-N
DG65766	NSC726262	24202913	"(3aR)-7-[3-[4-[3-[[(3aR)-8-methoxy-10-oxo-2,3,3a,10a-tetrahydro-1H-cyclopenta[c][1]benzazepin-7-yl]oxy]propyl]piperazin-1-yl]propoxy]-8-methoxy-2,3,3a,10a-tetrahydro-1H-cyclopenta[c][1]benzazepin-10-one; NSC726262; NSC-726262"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726262	.	.	.	.	656.8	C38H48N4O6	102	1070	4	48	0	10	12	"InChI=1S/C38H48N4O6/c1-45-33-19-29-31(39-23-25-7-3-9-27(25)37(29)43)21-35(33)47-17-5-11-41-13-15-42(16-14-41)12-6-18-48-36-22-32-30(20-34(36)46-2)38(44)28-10-4-8-26(28)24-40-32/h19-28H,3-18H2,1-2H3/t25-,26-,27 ,28 /m0/s1"	COC1=C(C=C2C(=C1)C(=O)C3CCC[C@H]3C=N2)OCCCN4CCN(CC4)CCCOC5=C(C=C6C(=C5)N=C[C@@H]7CCCC7C6=O)OC	HZHKSNHWIUGOBJ-DZKOAGKBSA-N
DG65767	Dehydrospongistatin 2	24202926	dehydrospongistatin 2; NSC726291; NSC-726291	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726291	.	.	.	.	1171.4	C63H94O20	282	2390	5.2	83	6	20	11	"InChI=1S/C63H94O20/c1-12-13-17-43(66)22-35(2)23-53-55(70)57-40(7)58(77-53)59(71)63(73)21-20-36(3)52(83-63)19-16-14-15-18-45-25-44(67)30-61(79-45)32-48(74-11)26-46(80-61)28-51(68)39(6)56(76-42(9)65)38(5)37(4)24-50-31-60(10,72)34-62(82-50)33-49(75-41(8)64)27-47(81-62)29-54(69)78-57/h12-13,15,17-18,20-21,36,38-40,43-50,52-53,55-59,66-67,70-73H,1-2,4,14,16,19,22-34H2,3,5-11H3/b17-13+,18-15-/t36-,38-,39-,40-,43-,44+,45+,46+,47-,48+,49+,50+,52-,53-,55-,56+,57-,58 ,59+,60+,61 ,62-,63-/m1/s1"	C[C@@H]1C=C[C@@]2([C@H](C3[C@@H]([C@H]([C@@H]([C@H](O3)CC(=C)C[C@@H](/C=C/C=C)O)O)OC(=O)C[C@H]4C[C@@H](C[C@]5(O4)C[C@@](C[C@@H](O5)CC(=C)[C@H]([C@@H]([C@@H](C(=O)C[C@@H]6C[C@@H](CC7(O6)C[C@H](C[C@@H](O7)/C=C\\CCC[C@H]1O2)O)OC)C)OC(=O)C)C)(C)O)OC(=O)C)C)O)O	CBSUYSJPVZOMOZ-LTEJQQKOSA-N
DG65768	"4-[(E)-(4-fluoro-3-phenoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione"	24202928	NSC726305; NSC-726305	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726305	.	.	.	.	328.4	C16H13FN4OS	81.3	493	3.2	23	1	5	4	"InChI=1S/C16H13FN4OS/c1-11-19-20-16(23)21(11)18-10-12-7-8-14(17)15(9-12)22-13-5-3-2-4-6-13/h2-10H,1H3,(H,20,23)/b18-10+"	CC1=NNC(=S)N1/N=C/C2=CC(=C(C=C2)F)OC3=CC=CC=C3	PNKKFMQHQVFVGF-VCHYOVAHSA-N
DG65769	"N'-carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride"	24202930	NSC726310; NSC-726310	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726310	.	.	.	.	427.9	C15H18ClN7O4S	196	616	.	28	4	7	5	"InChI=1S/C15H17N7O4S.ClH/c1-25-9-6-8(22(23)24)10(26-2)5-7(9)11-12(13(16)20-14(17)18)21-3-4-27-15(21)19-11;/h5-6H,3-4H2,1-2H3,(H5,16,17,18,20);1H"	COC1=CC(=C(C=C1C2=C(N3CCSC3=N2)/C(=N/C(=N)N)/N)OC)[N+](=O)[O-].Cl	WOOBXCKNSVKASR-UHFFFAOYSA-N
DG65770	"N'-carbamimidoyl-2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride"	24202932	NSC726311; NSC-726311	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726311	.	.	.	.	460.3	C15H15Cl2N7O4S	198	650	.	29	4	7	5	"InChI=1S/C15H14ClN7O4S.ClH/c1-26-8-4-7(23(24)25)9(27-2)3-6(8)11-12(13(17)21-14(18)19)22-5-10(16)28-15(22)20-11;/h3-5H,1-2H3,(H5,17,18,19,21);1H"	COC1=CC(=C(C=C1C2=C(N3C=C(SC3=N2)Cl)/C(=N/C(=N)N)/N)OC)[N+](=O)[O-].Cl	RCMMAAQSOWONSK-UHFFFAOYSA-N
DG65771	"N'-carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride"	24202934	NSC726312; NSC-726312	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726312	.	.	.	.	439.9	C16H18ClN7O4S	198	645	.	29	4	7	5	"InChI=1S/C16H17N7O4S.ClH/c1-7-6-22-13(14(17)21-15(18)19)12(20-16(22)28-7)8-4-11(27-3)9(23(24)25)5-10(8)26-2;/h4-6H,1-3H3,(H5,17,18,19,21);1H"	CC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3OC)[N+](=O)[O-])OC)/C(=N/C(=N)N)/N.Cl	DTKROJJXYPVUCZ-UHFFFAOYSA-N
DG65772	"N'-carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride"	24202940	NSC726315; NSC-726315	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726315	.	.	.	.	453.9	C17H20ClN7O4S	198	675	.	30	4	7	5	"InChI=1S/C17H19N7O4S.ClH/c1-7-8(2)29-17-21-13(14(23(7)17)15(18)22-16(19)20)9-5-12(28-4)10(24(25)26)6-11(9)27-3;/h5-6H,1-4H3,(H5,18,19,20,22);1H"	CC1=C(SC2=NC(=C(N12)/C(=N/C(=N)N)/N)C3=CC(=C(C=C3OC)[N+](=O)[O-])OC)C.Cl	CRMSNPKJWZBDKT-UHFFFAOYSA-N
DG65773	"(8R)-8-hydroxy-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one"	24202949	NSC726364; NSC-726364	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726364	.	.	.	.	352.4	C20H20N2O4	71.4	534	1.6	26	1	5	4	"InChI=1S/C20H20N2O4/c1-25-18-8-16-17(9-19(18)26-12-13-5-3-2-4-6-13)21-10-14-7-15(23)11-22(14)20(16)24/h2-6,8-10,14-15,23H,7,11-12H2,1H3/t14 ,15-/m1/s1"	COC1=C(C=C2C(=C1)C(=O)N3C[C@@H](CC3C=N2)O)OCC4=CC=CC=C4	NPYAWVPHHKZHCW-YSSOQSIOSA-N
DG65774	7-[(2E)-2-hydroxyimino-2-phenylethoxy]-3-phenylchromen-4-one	24202958	CHEMBL473526; NSC726390; NSC-726390	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726390	.	.	.	.	371.4	C23H17NO4	68.1	602	4.8	28	1	5	5	"InChI=1S/C23H17NO4/c25-23-19-12-11-18(27-15-21(24-26)17-9-5-2-6-10-17)13-22(19)28-14-20(23)16-7-3-1-4-8-16/h1-14,26H,15H2/b24-21-"	C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC/C(=N/O)/C4=CC=CC=C4	HTIKZAXQEFXMHI-FLFQWRMESA-N
DG65775	7-[(2E)-2-(4-fluorophenyl)-2-hydroxyiminoethoxy]-3-phenylchromen-4-one	24202959	CHEMBL510776; NSC726391; NSC-726391	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726391	.	.	.	.	389.4	C23H16FNO4	68.1	635	4.9	29	1	6	5	"InChI=1S/C23H16FNO4/c24-17-8-6-16(7-9-17)21(25-27)14-28-18-10-11-19-22(12-18)29-13-20(23(19)26)15-4-2-1-3-5-15/h1-13,27H,14H2/b25-21-"	C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC/C(=N/O)/C4=CC=C(C=C4)F	JBAIQISLXKYHKG-DAFNUICNSA-N
DG65776	7-[(2E)-2-methoxyiminopropoxy]-3-phenylchromen-4-one	24202961	CHEMBL460519; NSC726393; NSC-726393	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726393	.	.	.	.	323.3	C19H17NO4	57.1	508	3.5	24	0	5	5	"InChI=1S/C19H17NO4/c1-13(20-22-2)11-23-15-8-9-16-18(10-15)24-12-17(19(16)21)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3/b20-13+"	C/C(=N\\OC)/COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3	YBARNPXKIUAWTO-DEDYPNTBSA-N
DG65777	3-[(2Z)-2-methoxyimino-2-phenylethoxy]xanthen-9-one	24202966	NSC726398; NSC-726398	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726398	.	.	.	.	359.4	C22H17NO4	57.1	542	4.9	27	0	5	5	"InChI=1S/C22H17NO4/c1-25-23-19(15-7-3-2-4-8-15)14-26-16-11-12-18-21(13-16)27-20-10-6-5-9-17(20)22(18)24/h2-13H,14H2,1H3/b23-19+"	CO/N=C(\\COC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)/C4=CC=CC=C4	BUSXVXGHGCLXJQ-FCDQGJHFSA-N
DG65778	Arylidene-4-chloro	24202977	arylidene-4-chloro; NSC726423; NSC-726423	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726423	.	.	.	.	300.8	C18H14ClFO	17.1	411	5.4	21	0	2	1	"InChI=1S/C18H14ClFO/c19-15-7-4-12(5-8-15)10-14-3-1-2-13-6-9-16(20)11-17(13)18(14)21/h4-11H,1-3H2/b14-10+"	C1CC2=C(C=C(C=C2)F)C(=O)/C(=C/C3=CC=C(C=C3)Cl)/C1	RPOYMOIGJVKJII-GXDHUFHOSA-N
DG65779	"4-Amino-6-(3,4-dimethoxyphenyl)-14-fluoro-3-oxatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),4,12,14-pentaene-5-carbonitrile"	24202985	NSC726431; NSC-726431	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726431	.	.	.	.	392.4	C23H21FN2O3	77.5	740	4.2	29	1	6	3	"InChI=1S/C23H21FN2O3/c1-27-19-9-7-14(10-20(19)28-2)21-16-5-3-4-13-6-8-15(24)11-17(13)22(16)29-23(26)18(21)12-25/h6-11,21H,3-5,26H2,1-2H3"	COC1=C(C=C(C=C1)C2C3=C(C4=C(CCC3)C=CC(=C4)F)OC(=C2C#N)N)OC	UUNIOFWUJYBVGQ-UHFFFAOYSA-N
DG65780	"4-Amino-6-(3,4-dimethoxyphenyl)-14-fluoro-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene-5-carbonitrile"	24202986	NSC726432; NSC-726432	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726432	.	.	.	.	389.4	C23H20FN3O2	81.2	610	4.9	29	1	6	3	"InChI=1S/C23H20FN3O2/c1-28-19-9-7-14(10-20(19)29-2)21-16-5-3-4-13-6-8-15(24)11-17(13)22(16)27-23(26)18(21)12-25/h6-11H,3-5H2,1-2H3,(H2,26,27)"	COC1=C(C=C(C=C1)C2=C3CCCC4=C(C3=NC(=C2C#N)N)C=C(C=C4)F)OC	UFVOGEFUBGJSIA-UHFFFAOYSA-N
DG65781	"4,3-f]Indo le-5,10-dione diacetate"	24202987	"NSC726434; 4,3-f]indo le-5,10-dione diacetate; NSC-726434"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726434	.	.	.	.	437.5	C23H27N5O4	153	630	.	32	5	8	6	"InChI=1S/C21H23N5O2.C2H4O2/c1-26-11-6-14-17(24-9-7-22)15-16(18(19(14)26)25-10-8-23)21(28)13-5-3-2-4-12(13)20(15)27;1-2(3)4/h2-6,11,24-25H,7-10,22-23H2,1H3;1H3,(H,3,4)"	CC(=O)O.CN1C=CC2=C(C3=C(C(=C21)NCCN)C(=O)C4=CC=CC=C4C3=O)NCCN	JCGRNDINOJWIGN-UHFFFAOYSA-N
DG65782	"4,11-bis[2-(dimethylamino)ethylamino]-3-[(dimethylamino)methyl]-1H-naphtho[2,3-f]indole-5,10-dione"	24203002	NSC726444; NSC-726444	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726444	.	.	.	.	476.6	C27H36N6O2	83.7	743	4	35	3	7	10	"InChI=1S/C27H36N6O2/c1-31(2)13-11-28-23-20-17(16-33(5)6)15-30-24(20)25(29-12-14-32(3)4)22-21(23)26(34)18-9-7-8-10-19(18)27(22)35/h7-10,15,28-30H,11-14,16H2,1-6H3"	CN(C)CCNC1=C2C(=C(C3=C1C(=CN3)CN(C)C)NCCN(C)C)C(=O)C4=CC=CC=C4C2=O	DPWADAZNRUICMW-UHFFFAOYSA-N
DG65783	"4,11-bis[2-(dimethylamino)ethylamino]-3-(hydroxymethyl)-1H-naphtho[2,3-f]indole-5,10-dione"	24203003	NSC726445; NSC-726445	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726445	.	.	.	.	449.5	C25H31N5O3	101	702	3.3	33	4	7	9	"InChI=1S/C25H31N5O3/c1-29(2)11-9-26-21-18-15(14-31)13-28-22(18)23(27-10-12-30(3)4)20-19(21)24(32)16-7-5-6-8-17(16)25(20)33/h5-8,13,26-28,31H,9-12,14H2,1-4H3"	CN(C)CCNC1=C2C(=C(C3=C1C(=CN3)CO)NCCN(C)C)C(=O)C4=CC=CC=C4C2=O	MTPSICXSXPVYIX-UHFFFAOYSA-N
DG65784	"4,3-f] Indole-5,10-dione diacetate"	24203007	"NSC726449; 4,3-f] indole-5,10-dione diacetate; NSC-726449"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726449	.	.	.	.	453.5	C23H27N5O5	184	648	.	33	7	9	7	"InChI=1S/C21H23N5O3.C2H4O2/c22-5-7-24-17-14-11(10-27)9-26-18(14)19(25-8-6-23)16-15(17)20(28)12-3-1-2-4-13(12)21(16)29;1-2(3)4/h1-4,9,24-27H,5-8,10,22-23H2;1H3,(H,3,4)"	CC(=O)O.C1=CC=C2C(=C1)C(=O)C3=C(C4=C(C(=C3C2=O)NCCN)NC=C4CO)NCCN	OUYONVLGFXWCQL-UHFFFAOYSA-N
DG65785	phloeodictine A 1	24203015	"155070-29-4; phloeodictine A 1; DTXSID70639801; NSC726512; NSC-726512; 1-{5-[(Diaminomethylidene)amino]pentyl}-6-(dodec-11-en-1-yl)-6-hydroxy-2,3,4,6-tetrahydropyrrolo[1,2-a]pyrimidin-1-ium chloride--hydrogen chloride (1/1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726512	.	.	.	.	504.6	C25H47Cl2N5O	90.9	623	.	33	4	3	17	"InChI=1S/C25H46N5O.2ClH/c1-2-3-4-5-6-7-8-9-10-12-17-25(31)18-16-23-29(21-15-22-30(23)25)20-14-11-13-19-28-24(26)27;;/h2,16,18,31H,1,3-15,17,19-22H2,(H4,26,27,28);2*1H/q+1;;/p-1"	C=CCCCCCCCCCCC1(C=CC2=[N+](CCCN21)CCCCCN=C(N)N)O.Cl.[Cl-]	QFKQZEJNXPZISH-UHFFFAOYSA-M
DG65786	Dechlorinated rebeccamycin	24203043	"dechlorinated rebeccamycin; CHEMBL47243; BDBM50054420; NSC726576; NSC-726576; 12-(3,4-dihydroxy-6-hydroxymethyl-5-methoxytetrahydro-2H-2-pyranyl)-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726576	.	.	.	.	501.5	C27H23N3O7	146	936	1.4	37	5	7	3	"InChI=1S/C27H23N3O7/c1-36-24-15(10-31)37-27(23(33)22(24)32)30-14-9-5-3-7-12(14)17-19-18(25(34)29-26(19)35)16-11-6-2-4-8-13(11)28-20(16)21(17)30/h2-9,15,22-24,27-28,31-33H,10H2,1H3,(H,29,34,35)"	COC1C(OC(C(C1O)O)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)NC5=O)CO	JNMXCWUKDUQJFF-UHFFFAOYSA-N
DG65787	NSC726577	24203044	"[2-(12,14-Dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl] 2,6-diaminohexanoate;hydrochloride; NSC726577; NSC-726577"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726577	.	.	.	.	666.1	C33H36ClN5O8	204	1160	.	47	7	10	10	"InChI=1S/C33H35N5O8.ClH/c1-44-28-20(14-39)45-32(29(27(28)40)46-33(43)17(35)10-6-7-13-34)38-19-12-5-3-9-16(19)22-24-23(30(41)37-31(24)42)21-15-8-2-4-11-18(15)36-25(21)26(22)38;/h2-5,8-9,11-12,17,20,27-29,32,36,39-40H,6-7,10,13-14,34-35H2,1H3,(H,37,41,42);1H"	COC1C(OC(C(C1O)OC(=O)C(CCCCN)N)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)NC5=O)CO.Cl	CSNQFLRPIBROIH-UHFFFAOYSA-N
DG65788	NSC726578	24203046	"[2-(12,14-Dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)-3-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-4-yl] 2,6-diaminohexanoate;hydrochloride; NSC726578; NSC-726578"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726578	.	.	.	.	666.1	C33H36ClN5O8	204	1160	.	47	7	10	10	"InChI=1S/C33H35N5O8.ClH/c1-44-28-20(14-39)45-32(27(40)29(28)46-33(43)17(35)10-6-7-13-34)38-19-12-5-3-9-16(19)22-24-23(30(41)37-31(24)42)21-15-8-2-4-11-18(15)36-25(21)26(22)38;/h2-5,8-9,11-12,17,20,27-29,32,36,39-40H,6-7,10,13-14,34-35H2,1H3,(H,37,41,42);1H"	COC1C(OC(C(C1OC(=O)C(CCCCN)N)O)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)NC5=O)CO.Cl	OCTLTXXEHGFQSA-UHFFFAOYSA-N
DG65789	"3,6-bis(2,4-dichloro-5-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	24203066	CHEMBL571932; NSC726625; NSC-726625	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726625	.	.	.	.	466.1	C16H6Cl4F2N4S	68.4	591	6.3	27	0	6	2	"InChI=1S/C16H6Cl4F2N4S/c17-8-3-10(19)12(21)1-6(8)14-5-27-16-24-23-15(26(16)25-14)7-2-13(22)11(20)4-9(7)18/h1-4H,5H2"	C1C(=NN2C(=NN=C2S1)C3=CC(=C(C=C3Cl)Cl)F)C4=CC(=C(C=C4Cl)Cl)F	DYGWFOIIUPEKNB-UHFFFAOYSA-N
DG65790	"6-(4-chlorophenyl)-3-(2,4-dichloro-5-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	24203068	CHEMBL571490; NSC726627; NSC-726627	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726627	.	.	.	.	413.7	C16H8Cl3FN4S	68.4	520	5.6	25	0	5	2	"InChI=1S/C16H8Cl3FN4S/c17-9-3-1-8(2-4-9)14-7-25-16-22-21-15(24(16)23-14)10-5-13(20)12(19)6-11(10)18/h1-6H,7H2"	C1C(=NN2C(=NN=C2S1)C3=CC(=C(C=C3Cl)Cl)F)C4=CC=C(C=C4)Cl	SWVUTDGNXSDLAF-UHFFFAOYSA-N
DG65791	"3-(Benzothiazol-6-ylimino)-7-chloro-2,1-dioxo-4H-1,5,2-benzodithiazepin-4-ylideneacetic acid"	24203095	"NSC726717; NSC726718; NSC-726717; NSC-726718; 3-(Benzothiazol-6-ylamino)-7-chloro-8-methyl-1,-dioxo-4H-1 ,5,2-benzodithiazepin-4-ylideneacetic acid; 3-(Benzothiazol-6-ylimino)-7-chloro-2,1 -dioxo-4H-1,5,2-benzodithiazepin-4-ylideneacetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726718	.	.	.	.	466	C18H12ClN3O4S3	171	829	3.9	29	2	8	3	"InChI=1S/C18H12ClN3O4S3/c1-9-4-16-14(6-11(9)19)28-15(7-17(23)24)18(22-29(16,25)26)21-10-2-3-12-13(5-10)27-8-20-12/h2-8H,1H3,(H,21,22)(H,23,24)/b15-7+"	CC1=CC2=C(C=C1Cl)S/C(=C/C(=O)O)/C(=NS2(=O)=O)NC3=CC4=C(C=C3)N=CS4	HLUDVTHWMJHLGU-VIZOYTHASA-N
DG65792	"8-Chloro-3-phenyl-7-methyl-5,3-c][1,5,2]benzodithiazepin-2-one"	24203097	"NSC726721; NSC-726721; 8-Chloro-3-phenyl-7-methyl-5,3-c][1,5,2 ]benzodithiazepin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726721	.	.	.	.	390.9	C17H11ClN2O3S2	101	738	3.6	25	0	5	1	"InChI=1S/C17H11ClN2O3S2/c1-10-7-15-13(8-12(10)18)24-14-9-16(21)20(11-5-3-2-4-6-11)17(14)19-25(15,22)23/h2-9H,1H3"	CC1=CC2=C(C=C1Cl)SC3=CC(=O)N(C3=NS2(=O)=O)C4=CC=CC=C4	ZCPPGNWHNUHZHA-UHFFFAOYSA-N
DG65793	6-(hexynyl)-2(2H)-pyranone	24203137	6-(hexynyl)-2(2H)-pyranone; 6-(1-Hexynyl)-2H-pyran-2-one; NSC726858; NSC-726858	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726858	.	.	.	.	176.21	C11H12O2	26.3	310	3.1	13	0	2	3	"InChI=1S/C11H12O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h6,8-9H,2-4H2,1H3"	CCCCC#CC1=CC=CC(=O)O1	SOXKIWKNGLVASY-UHFFFAOYSA-N
DG65794	6-(5-tetrahydropyranylossi-1-pentynyl)-2(2H)-pyranone	24203140	NSC726861; NSC-726861; 6-(5-tetrahydropyranylossi-1-pentynyl)-2(2H)-pyranone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726861	.	.	.	.	262.3	C15H18O4	44.8	436	2.5	19	0	4	6	"InChI=1S/C15H18O4/c16-14-9-5-8-13(19-14)7-3-1-2-4-11-17-15-10-6-12-18-15/h5,8-9,15H,1-2,4,6,10-12H2"	C1CC(OC1)OCCCCC#CC2=CC=CC(=O)O2	BTWATBHXZHIZLY-UHFFFAOYSA-N
DG65795	"2-[(E)-(2-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	24203146	NSC726885; NSC-726885	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726885	.	.	.	.	335.82	C13H14ClN7S	135	423	.	22	3	5	3	"InChI=1S/C13H13N7S.ClH/c1-8-7-20-10(6-17-19-12(14)15)11(18-13(20)21-8)9-3-2-4-16-5-9;/h2-7H,1H3,(H4,14,15,19);1H/b17-6+;"	CC1=CN2C(=C(N=C2S1)C3=CN=CC=C3)/C=N/N=C(N)N.Cl	QLOLNNNMOUJFAK-ZDEOBDHWSA-N
DG65796	"ethyl 2-chloro-5-[(E)-(diaminomethylidenehydrazinylidene)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxylate;hydrochloride"	24203150	NSC726890; NSC-726890	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726890	.	.	.	.	351.2	C10H12Cl2N6O2S	149	430	.	21	3	6	5	"InChI=1S/C10H11ClN6O2S.ClH/c1-2-19-8(18)7-5(3-14-16-9(12)13)17-4-6(11)20-10(17)15-7;/h3-4H,2H2,1H3,(H4,12,13,16);1H/b14-3+;"	CCOC(=O)C1=C(N2C=C(SC2=N1)Cl)/C=N/N=C(N)N.Cl	POVTYZVZWYFLMO-UFJIHACCSA-N
DG65797	(3E)-3-[(2-chloro-1-methylindol-3-yl)methylidene]-1H-indol-2-one	24203155	NSC726904; NSC-726904	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726904	.	.	.	.	308.8	C18H13ClN2O	34	492	3.9	22	1	1	1	"InChI=1S/C18H13ClN2O/c1-21-16-9-5-3-7-12(16)13(17(21)19)10-14-11-6-2-4-8-15(11)20-18(14)22/h2-10H,1H3,(H,20,22)/b14-10+"	CN1C2=CC=CC=C2C(=C1Cl)/C=C/3\\C4=CC=CC=C4NC3=O	RUQJXNALMGSKGI-GXDHUFHOSA-N
DG65798	1-Methyl-3-[(2-chloro-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one	24203156	NSC726905; NSC-726905; 1-Methyl-3-[(2-chloro-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726905	.	.	.	.	308.8	C18H13ClN2O	36.1	492	4.2	22	1	1	1	"InChI=1S/C18H13ClN2O/c1-21-16-9-5-3-7-12(16)14(18(21)22)10-13-11-6-2-4-8-15(11)20-17(13)19/h2-10,20H,1H3/b14-10+"	CN1C2=CC=CC=C2/C(=C\\C3=C(NC4=CC=CC=C43)Cl)/C1=O	CXZKAEUTBZROPA-GXDHUFHOSA-N
DG65799	1-Methyl-3-[(1-methyl-2-chloro-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one	24203157	NSC726906; AKOS005145334; NSC-726906; 1-Methyl-3-[(1-methyl-2-chloro-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726906	.	.	.	.	322.8	C19H15ClN2O	25.2	520	4.1	23	0	1	1	"InChI=1S/C19H15ClN2O/c1-21-16-9-5-3-7-12(16)14(18(21)20)11-15-13-8-4-6-10-17(13)22(2)19(15)23/h3-11H,1-2H3/b15-11+"	CN1C2=CC=CC=C2C(=C1Cl)/C=C/3\\C4=CC=CC=C4N(C3=O)C	FSSPYJWODXQJLZ-RVDMUPIBSA-N
DG65800	[(1S)-2-amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxynaphthalene-1-carboxylate	24203159	NSC727013; NSC-727013	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727013	.	.	.	.	315.32	C17H17NO5	91.2	482	1.9	23	1	5	6	"InChI=1S/C17H17NO5/c1-17(9-22-17)14(15(18)19)23-16(20)13-8-11(21-2)7-10-5-3-4-6-12(10)13/h3-8,14H,9H2,1-2H3,(H2,18,19)/t14-,17+/m1/s1"	C[C@]1(CO1)[C@@H](C(=O)N)OC(=O)C2=CC(=CC3=CC=CC=C32)OC	GTVDXIMMFXZZQK-PBHICJAKSA-N
DG65801	[(1S)-2-amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 5-methylnaphthalene-1-carboxylate	24203160	NSC727015; NSC-727015	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727015	.	.	.	.	299.32	C17H17NO4	81.9	466	2.2	22	1	4	5	"InChI=1S/C17H17NO4/c1-10-5-3-7-12-11(10)6-4-8-13(12)16(20)22-14(15(18)19)17(2)9-21-17/h3-8,14H,9H2,1-2H3,(H2,18,19)/t14-,17+/m1/s1"	CC1=C2C=CC=C(C2=CC=C1)C(=O)O[C@H](C(=O)N)[C@@]3(CO3)C	RNBMYKNOSKPLJT-PBHICJAKSA-N
DG65802	2-[[2-Propynyl(4-methylphenyl)amino]methyl]-3-phenyl-7-trifl uoromethylquinoxaline	24203165	CHEMBL3121447; BDBM50448343; NSC727023; NSC-727023; 2-[[2-propynyl(4-methylphenyl)amino]methyl]-3-phenyl-7-trifl uoromethylquinoxaline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727023	.	.	.	.	431.5	C26H20F3N3	29	642	5.9	32	0	6	5	"InChI=1S/C26H20F3N3/c1-3-15-32(21-12-9-18(2)10-13-21)17-24-25(19-7-5-4-6-8-19)31-22-14-11-20(26(27,28)29)16-23(22)30-24/h1,4-14,16H,15,17H2,2H3"	CC1=CC=C(C=C1)N(CC#C)CC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4	KAZMSSGLBPOWAP-UHFFFAOYSA-N
DG65803	16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-3a-pyrrolidino-5-androsten-17a-yl acetate	24203175	NSC727081; NSC-727081; 16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-3a-pyrrolidino-5-androsten-17a-yl acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727081	.	.	.	.	630.9	C40H58N2O4	51.2	1140	7.3	46	0	6	9	"InChI=1S/C40H58N2O4/c1-28(43)46-38-30(24-29-10-13-36(37(25-29)44-4)45-23-22-41-18-6-5-7-19-41)26-35-33-12-11-31-27-32(42-20-8-9-21-42)14-16-39(31,2)34(33)15-17-40(35,38)3/h10-11,13,24-25,32-35,38H,5-9,12,14-23,26-27H2,1-4H3/b30-24+/t32-,33 ,34 ,35 ,38-,39-,40-/m0/s1"	CC(=O)O[C@H]1/C(=C/C2=CC(=C(C=C2)OCCN3CCCCC3)OC)/CC4[C@@]1(CCC5C4CC=C6[C@@]5(CC[C@@H](C6)N7CCCC7)C)C	XJJOZTYKEFGELH-MCSFNHJBSA-N
DG65804	16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-17-oxo-5-androsten-3a-yl acetate	24203176	NSC727082; NSC-727082; 16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-17-oxo-5-androsten-3a-yl acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727082	.	.	.	.	575.8	C36H49NO5	65.099	1080	6.5	42	0	6	8	"InChI=1S/C36H49NO5/c1-24(38)42-28-12-14-35(2)27(23-28)9-10-29-30(35)13-15-36(3)31(29)22-26(34(36)39)20-25-8-11-32(33(21-25)40-4)41-19-18-37-16-6-5-7-17-37/h8-9,11,20-21,28-31H,5-7,10,12-19,22-23H2,1-4H3/b26-20+/t28-,29 ,30 ,31 ,35-,36-/m0/s1"	CC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)C/C(=C\\C5=CC(=C(C=C5)OCCN6CCCCC6)OC)/C4=O)C)C	HIJQUAJKHDZCTK-MYRNEKRJSA-N
DG65805	"16-[4-(2-Diethylaminoethoxy)3-methoxy benzylidene]-4-androstene-3,17-dione"	24203178	"NSC727084; NSC-727084; 16-[4-(2-diethylaminoethoxy)3-methoxy benzylidene]-4-androstene-3,17-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727084	.	.	.	.	519.7	C33H45NO4	55.8	966	5.8	38	0	5	8	"InChI=1S/C33H45NO4/c1-6-34(7-2)16-17-38-29-11-8-22(19-30(29)37-5)18-23-20-28-26-10-9-24-21-25(35)12-14-32(24,3)27(26)13-15-33(28,4)31(23)36/h8,11,18-19,21,26-28H,6-7,9-10,12-17,20H2,1-5H3/b23-18+/t26 ,27 ,28 ,32-,33-/m0/s1"	CCN(CC)CCOC1=C(C=C(C=C1)/C=C/2\\CC3C4CCC5=CC(=O)CC[C@@]5(C4CC[C@@]3(C2=O)C)C)OC	HOZVFMYVRZZOLE-YINTVVNPSA-N
DG65806	16-[4-(2-Diethylaminoethoxy)3-methoxy benzylidene]-3a-pyrrolidino-5-androsten-17a-yl acetate	24203180	NSC727086; NSC-727086; 16-[4-(2-diethylaminoethoxy)3-methoxy benzylidene]-3a-pyrrolidino-5-androsten-17a-yl acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727086	.	.	.	.	618.9	C39H58N2O4	51.2	1090	7.1	45	0	6	11	"InChI=1S/C39H58N2O4/c1-7-40(8-2)21-22-44-35-14-11-28(24-36(35)43-6)23-29-25-34-32-13-12-30-26-31(41-19-9-10-20-41)15-17-38(30,4)33(32)16-18-39(34,5)37(29)45-27(3)42/h11-12,14,23-24,31-34,37H,7-10,13,15-22,25-26H2,1-6H3/b29-23+/t31-,32 ,33 ,34 ,37-,38-,39-/m0/s1"	CCN(CC)CCOC1=C(C=C(C=C1)/C=C/2\\CC3C4CC=C5C[C@H](CC[C@@]5(C4CC[C@@]3([C@H]2OC(=O)C)C)C)N6CCCC6)OC	ICANLWFUVCJEEH-PRGHMZJASA-N
DG65807	16-[4-(2-Diethylaminoethoxy)3-methoxy benzylidene]-17-oxo-5-androsten-3a-yl acetate	24203181	NSC727087; NSC-727087; 16-[4-(2-diethylaminoethoxy)3-methoxy benzylidene]-17-oxo-5-androsten-3a-yl acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727087	.	.	.	.	563.8	C35H49NO5	65.099	1030	6.4	41	0	6	10	"InChI=1S/C35H49NO5/c1-7-36(8-2)17-18-40-31-12-9-24(20-32(31)39-6)19-25-21-30-28-11-10-26-22-27(41-23(3)37)13-15-34(26,4)29(28)14-16-35(30,5)33(25)38/h9-10,12,19-20,27-30H,7-8,11,13-18,21-22H2,1-6H3/b25-19+/t27-,28 ,29 ,30 ,34-,35-/m0/s1"	CCN(CC)CCOC1=C(C=C(C=C1)/C=C/2\\CC3C4CC=C5C[C@H](CC[C@@]5(C4CC[C@@]3(C2=O)C)C)OC(=O)C)OC	GNICQVHYZVEBMX-QOZOMQMKSA-N
DG65808	"16-[3-Methoxy-4-(2-pyrrolidin-1-yl ethoxy)benzylidene]-4-androsten-3,17-dione"	24203183	"NSC727089; NSC-727089; 16-[3-Methoxy-4-(2- pyrrolidin-1-yl ethoxy)benzylidene]-4-androsten-3,17-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727089	.	.	.	.	517.7	C33H43NO4	55.8	995	5.5	38	0	5	6	"InChI=1S/C33H43NO4/c1-32-12-10-25(35)21-24(32)7-8-26-27(32)11-13-33(2)28(26)20-23(31(33)36)18-22-6-9-29(30(19-22)37-3)38-17-16-34-14-4-5-15-34/h6,9,18-19,21,26-28H,4-5,7-8,10-17,20H2,1-3H3/b23-18+/t26 ,27 ,28 ,32-,33-/m0/s1"	C[C@]12CCC(=O)C=C1CCC3C2CC[C@]4(C3C/C(=C\\C5=CC(=C(C=C5)OCCN6CCCC6)OC)/C4=O)C	ANEFYXNGVXDHDA-YINTVVNPSA-N
DG65809	2-[2-Furfuryl-5)p-phenylene] benzothiazole	24203185	NSC727091; NSC-727091; 2-[2 - furfuryl - 5)p-phenylene] benzothiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727091	.	.	.	.	305.4	C18H11NO2S	71.3	397	4.8	22	0	4	3	InChI=1S/C18H11NO2S/c20-11-14-9-10-16(21-14)12-5-7-13(8-6-12)18-19-15-3-1-2-4-17(15)22-18/h1-11H	C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C4=CC=C(O4)C=O	KIJNXIZDJRSHRB-UHFFFAOYSA-N
DG65810	"2 [5(Furfuryl-2-yl.1,1-dicyanoethylene)p-phenylene]benzothiazole"	24203186	"NSC727092; NSC-727092; 2 [5(furfuryl- 2- yl.1,1 - dicyanoethylene)p - phenylene]benzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727092	.	.	.	.	353.4	C21H11N3OS	102	618	5.1	26	0	5	3	InChI=1S/C21H11N3OS/c22-12-14(13-23)11-17-9-10-19(25-17)15-5-7-16(8-6-15)21-24-18-3-1-2-4-20(18)26-21/h1-11H	C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C4=CC=C(O4)C=C(C#N)C#N	QFXCZOWOVFKMGU-UHFFFAOYSA-N
DG65811	"({5-[4-(1,3-Benzoxazol-2-yl)phenyl]-2-furyl}methylene)malono nitrile"	24203194	"NSC727100; NSC-727100; ({5-[4-(1,3-benzoxazol-2-yl)phenyl]-2-furyl}methylene)malono nitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727100	.	.	.	.	337.3	C21H11N3O2	86.8	616	4.3	26	0	5	3	InChI=1S/C21H11N3O2/c22-12-14(13-23)11-17-9-10-19(25-17)15-5-7-16(8-6-15)21-24-18-3-1-2-4-20(18)26-21/h1-11H	C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C4=CC=C(O4)C=C(C#N)C#N	VEBRWVWONCGJCM-UHFFFAOYSA-N
DG65812	NSC727112	24203200	"Ethyl 15-[(2,4-dichlorophenyl)methyl]-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate; NSC727112; NSC-727112"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727112	.	.	.	.	526.4	C27H21Cl2NO6	104	1100	4.3	36	2	7	5	"InChI=1S/C27H21Cl2NO6/c1-3-36-25(34)21-14(2)30(13-15-8-9-16(28)12-19(15)29)26(35)11-10-20(31)22-23(32)17-6-4-5-7-18(17)24(33)27(21,22)26/h4-12,32,35H,3,13H2,1-2H3"	CCOC(=O)C1=C(N(C2(C13C(=C(C4=CC=CC=C4C3=O)O)C(=O)C=C2)O)CC5=C(C=C(C=C5)Cl)Cl)C	KMMRSCMIHXNJOU-UHFFFAOYSA-N
DG65813	"17-Acetyl-15-benzyl-9,14-dihydroxy-16-methyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione"	24203201	NSC727113; NSC-727113	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727113	.	.	.	.	427.4	C26H21NO5	94.9	984	2.5	32	2	6	3	"InChI=1S/C26H21NO5/c1-15-21(16(2)28)26-22(23(30)18-10-6-7-11-19(18)24(26)31)20(29)12-13-25(26,32)27(15)14-17-8-4-3-5-9-17/h3-13,30,32H,14H2,1-2H3"	CC1=C(C23C(=C(C4=CC=CC=C4C2=O)O)C(=O)C=CC3(N1CC5=CC=CC=C5)O)C(=O)C	GBBCBCPUGHROAN-UHFFFAOYSA-N
DG65814	"N-[3-[4-[(Z)-6-(2-cyanophenyl)hex-3-en-1,5-diynyl]phenoxy]propyl]-1H-indole-2-carboxamide"	24203205	NSC727185; NSC-727185	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727185	.	.	.	.	469.5	C31H23N3O2	77.9	943	6.5	36	2	3	8	"InChI=1S/C31H23N3O2/c32-23-27-14-6-5-12-25(27)11-4-2-1-3-10-24-16-18-28(19-17-24)36-21-9-20-33-31(35)30-22-26-13-7-8-15-29(26)34-30/h1-2,5-8,12-19,22,34H,9,20-21H2,(H,33,35)/b2-1-"	C1=CC=C2C(=C1)C=C(N2)C(=O)NCCCOC3=CC=C(C=C3)C#C/C=C\\C#CC4=CC=CC=C4C#N	DIRBKHRIJUCUFK-UPHRSURJSA-N
DG65815	(2R)-4-[(12S)-12-hydroxy-12-[(2S)-5-oxooxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one	24203209	NSC727189; NSC-727189	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727189	.	.	.	.	366.5	C21H34O5	72.8	485	5.3	26	1	5	13	"InChI=1S/C21H34O5/c1-16-15-17(21(24)25-16)11-9-7-5-3-2-4-6-8-10-12-18(22)19-13-14-20(23)26-19/h15-16,18-19,22H,2-14H2,1H3/t16-,18+,19+/m1/s1"	C[C@@H]1C=C(C(=O)O1)CCCCCCCCCCC[C@@H]([C@@H]2CCC(=O)O2)O	IZTIFTPQZRSUOB-NEWSRXKRSA-N
DG65816	"2,4-tri-O-acetyl-1-S-dimethylarsino-1-thio-a-D-xylose"	24203220	"NSC727219; NSC-727219; 2,4-tri-O-acetyl-1-S-dimethylarsino-1-thio- a -D-xylose"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727219	.	.	.	.	396.29	C13H21AsO7S	113	429	.	22	0	8	8	"InChI=1S/C13H21AsO7S/c1-7(15)19-10-6-18-13(22-14(4)5)12(21-9(3)17)11(10)20-8(2)16/h10-13H,6H2,1-5H3"	CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)S[As](C)C	TYZRUJGDDNEADN-UHFFFAOYSA-N
DG65817	"2,5-tri-O-acetyl-1-S-dimethylarsino-1-thio-D-ribose"	24203221	"NSC727220; NSC-727220; 2,5-tri-O-acetyl-1-S-dimethylarsino-1-thio-D-ribose"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727220	.	.	.	.	396.29	C13H21AsO7S	113	429	.	22	0	8	9	"InChI=1S/C13H21AsO7S/c1-7(15)18-6-10-11(19-8(2)16)12(20-9(3)17)13(21-10)22-14(4)5/h10-13H,6H2,1-5H3"	CC(=O)OCC1C(C(C(O1)S[As](C)C)OC(=O)C)OC(=O)C	SADBBJNFJLFSMU-UHFFFAOYSA-N
DG65818	1-S-dimethylarsino-1-thio-  	24203222	1-S-dimethylarsino-1-thio-&acirc; NSC727221; NSC-727221	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727221	.	.	.	.	270.18	C7H15AsO4S	95.2	169	.	13	3	5	2	"InChI=1S/C7H15AsO4S/c1-8(2)13-7-6(11)5(10)4(9)3-12-7/h4-7,9-11H,3H2,1-2H3"	C[As](C)SC1C(C(C(CO1)O)O)O	KWUPACLXXTYLJP-UHFFFAOYSA-N
DG65819	1-S-dimethylarsino-1-thio-D-ribose	24203223	1-S-dimethylarsino-1-thio-D-ribose; NSC727222; NSC-727222	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727222	.	.	.	.	270.18	C7H15AsO4S	95.2	169	.	13	3	5	3	"InChI=1S/C7H15AsO4S/c1-8(2)13-7-6(11)5(10)4(3-9)12-7/h4-7,9-11H,3H2,1-2H3"	C[As](C)SC1C(C(C(O1)CO)O)O	CBTJUISHFWCGCG-UHFFFAOYSA-N
DG65820	1-(3-dimethylarsino-3-thio-2-methyl-1-oxopropyl)-L-proline	24203224	NSC727223; NSC-727223; 1-(3-dimethylarsino-3-thio-2-methyl-1-oxopropyl)-L-proline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727223	.	.	.	.	321.27	C11H20AsNO3S	82.9	298	.	17	1	4	5	"InChI=1S/C11H20AsNO3S/c1-8(7-17-12(2)3)10(14)13-6-4-5-9(13)11(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)/t8-,9-/m0/s1"	C[C@@H](CS[As](C)C)C(=O)N1CCC[C@H]1C(=O)O	ZJXAMHNLAOQLDS-IUCAKERBSA-N
DG65821	1-(3-diethylarsino-3-thio-2-methyl-1-oxopropyl)-L-proline	24203225	NSC727224; NSC-727224; 1-(3-diethylarsino-3-thio-2-methyl-1-oxopropyl)-L-proline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727224	.	.	.	.	349.32	C13H24AsNO3S	82.9	323	.	19	1	4	7	"InChI=1S/C13H24AsNO3S/c1-4-14(5-2)19-9-10(3)12(16)15-8-6-7-11(15)13(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)/t10-,11-/m0/s1"	CC[As](CC)SC[C@H](C)C(=O)N1CCC[C@H]1C(=O)O	LTJVTLRUQNETTC-QWRGUYRKSA-N
DG65822	"9,10-Bis{[-2-(piperazin-1-yl)etyl]aminometyl}antracene"	24203232	"NSC727241; NSC-727241; 9,10-bis{[-2-(piperazin-1-yl)etyl]aminometyl}antracene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727241	.	.	.	.	497.1	C28H41ClN6	54.6	501	.	35	5	6	10	"InChI=1S/C28H40N6.ClH/c1-2-6-24-23(5-1)27(21-31-13-19-33-15-9-29-10-16-33)25-7-3-4-8-26(25)28(24)22-32-14-20-34-17-11-30-12-18-34;/h1-8,29-32H,9-22H2;1H"	C1CN(CCN1)CCNCC2=C3C=CC=CC3=C(C4=CC=CC=C42)CNCCN5CCNCC5.Cl	WCWMOTGTWPQKQO-UHFFFAOYSA-N
DG65823	"3-methylsulfanyl-5-[(1R,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]-1H-pyrazole"	24203242	NSC727287; NSC-727287	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727287	.	.	.	.	320.4	C16H20N2O3S	81.7	359	2.9	22	1	5	6	"InChI=1S/C16H20N2O3S/c1-19-13-5-9(6-14(20-2)16(13)21-3)10-7-11(10)12-8-15(22-4)18-17-12/h5-6,8,10-11H,7H2,1-4H3,(H,17,18)/t10-,11+/m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@@H]2C[C@H]2C3=CC(=NN3)SC	WANWQZGNPBQHPI-WDEREUQCSA-N
DG65824	"5-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-3-methylsulfanyl-1,2-oxazole"	24203243	NSC727288; NSC-727288	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727288	.	.	.	.	265.76	C13H12ClNOS	51.3	270	3.8	17	0	3	3	"InChI=1S/C13H12ClNOS/c1-17-13-7-12(16-15-13)11-6-10(11)8-2-4-9(14)5-3-8/h2-5,7,10-11H,6H2,1H3/t10-,11+/m0/s1"	CSC1=NOC(=C1)[C@@H]2C[C@H]2C3=CC=C(C=C3)Cl	YPGCUULTGXDYBG-WDEREUQCSA-N
DG65825	"1,5-dihydro-1H-imidazol-2-yl)phenyl]piperazine, dihydrochloride salt"	24203245	"NSC727339; NSC-727339; 1,5-dihydro-1H-imidazol-2-yl)phenyl]piperazine, dihydrochloride salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727339	.	.	.	.	410.9	C22H27ClN6	55.3	526	.	29	3	4	4	"InChI=1S/C22H26N6.ClH/c1-5-19(6-2-17(1)21-23-9-10-24-21)27-13-15-28(16-14-27)20-7-3-18(4-8-20)22-25-11-12-26-22;/h1-8H,9-16H2,(H,23,24)(H,25,26);1H"	C1CN=C(N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C5=NCCN5.Cl	WUWIHPJXJSXSNX-UHFFFAOYSA-N
DG65826	Antipain hydrochloride	24203250	"Antipain 2HCI; Antipain hydrochloride; 37682-72-7; L-Valinamide,hydrochloride; NSC727367; NSC-727367"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727367	.	.	.	.	641.2	C27H45ClN10O6	283	975	.	44	10	8	19	"InChI=1S/C27H44N10O6.ClH/c1-16(2)21(23(40)34-18(15-38)10-6-12-32-25(28)29)37-22(39)19(11-7-13-33-26(30)31)35-27(43)36-20(24(41)42)14-17-8-4-3-5-9-17;/h3-5,8-9,15-16,18-21H,6-7,10-14H2,1-2H3,(H,34,40)(H,37,39)(H,41,42)(H4,28,29,32)(H4,30,31,33)(H2,35,36,43);1H"	CC(C)C(C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C(CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O.Cl	RJRYYNKRPUWLRZ-UHFFFAOYSA-N
DG65827	"(2S,3R)-3-Amino-2-hydroxy-4-(4-nitrophenyl)butanoyl-L-leucine hydrochloride"	24203255	"115795-15-8; (2S,3R)-3-Amino-2-hydroxy-4-(4-nitrophenyl)butanoyl-L-leucine hydrochloride; (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoyl]amino]-4-methylpentanoic acid;hydrochloride; DTXSID50639804; NSC727372; NSC-727372; N-[(2S,3R)-3-Amino-2-hydroxy-4-(4-nitrophenyl)butanoyl]-L-leucine--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727372	.	.	.	.	389.8	C16H24ClN3O6	159	471	.	26	5	7	8	"InChI=1S/C16H23N3O6.ClH/c1-9(2)7-13(16(22)23)18-15(21)14(20)12(17)8-10-3-5-11(6-4-10)19(24)25;/h3-6,9,12-14,20H,7-8,17H2,1-2H3,(H,18,21)(H,22,23);1H/t12-,13+,14+;/m1./s1"	CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](CC1=CC=C(C=C1)[N+](=O)[O-])N)O.Cl	CSTSIZFZZXWOTL-UDYGKFQRSA-N
DG65828	1-[4-[[2-(Benzotriazol-1-yl)quinolin-4-yl]amino]phenyl]ethanone	24203257	NSC727450; NSC-727450	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727450	.	.	.	.	379.4	C23H17N5O	72.7	578	4.6	29	1	5	4	"InChI=1S/C23H17N5O/c1-15(29)16-10-12-17(13-11-16)24-21-14-23(25-19-7-3-2-6-18(19)21)28-22-9-5-4-8-20(22)26-27-28/h2-14H,1H3,(H,24,25)"	CC(=O)C1=CC=C(C=C1)NC2=CC(=NC3=CC=CC=C32)N4C5=CC=CC=C5N=N4	LKUVKOSDQSURPE-UHFFFAOYSA-N
DG65829	(NZ)-N-[1-[3-[[2-(benzotriazol-1-yl)quinolin-4-yl]amino]phenyl]ethylidene]hydroxylamine	24203263	NSC727456; NSC-727456	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727456	.	.	.	.	394.4	C23H18N6O	88.2	615	4.9	30	2	6	4	"InChI=1S/C23H18N6O/c1-15(27-30)16-7-6-8-17(13-16)24-21-14-23(25-19-10-3-2-9-18(19)21)29-22-12-5-4-11-20(22)26-28-29/h2-14,30H,1H3,(H,24,25)/b27-15-"	C/C(=N/O)/C1=CC(=CC=C1)NC2=CC(=NC3=CC=CC=C32)N4C5=CC=CC=C5N=N4	JJHNTJPJDYVKOQ-DICXZTSXSA-N
DG65830	2-(benzotriazol-1-yl)-N-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]quinolin-4-amine	24203264	NSC727457; NSC-727457	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727457	.	.	.	.	408.5	C24H20N6O	77.2	629	5.2	31	1	6	5	"InChI=1S/C24H20N6O/c1-16(28-31-2)17-8-7-9-18(14-17)25-22-15-24(26-20-11-4-3-10-19(20)22)30-23-13-6-5-12-21(23)27-29-30/h3-15H,1-2H3,(H,25,26)/b28-16-"	C/C(=N/OC)/C1=CC(=CC=C1)NC2=CC(=NC3=CC=CC=C32)N4C5=CC=CC=C5N=N4	AFBTVVOSTGSRLC-NTFVMDSBSA-N
DG65831	1-[4-[(2-Imidazol-1-ylquinolin-4-yl)amino]phenyl]ethanone	24203274	NSC727476; NSC-727476	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727476	.	.	.	.	328.4	C20H16N4O	59.8	463	3.5	25	1	4	4	"InChI=1S/C20H16N4O/c1-14(25)15-6-8-16(9-7-15)22-19-12-20(24-11-10-21-13-24)23-18-5-3-2-4-17(18)19/h2-13H,1H3,(H,22,23)"	CC(=O)C1=CC=C(C=C1)NC2=CC(=NC3=CC=CC=C32)N4C=CN=C4	FLYUHVCBHQDMMN-UHFFFAOYSA-N
DG65832	"6-Methyl-N-phenyl-6H-indolo[2,3-B]quinolin-11-amine"	24203281	"DTXSID30639807; NSC727483; NSC-727483; 824935-70-8; 6-METHYL-N-PHENYL-6H-INDOLO[2,3-B]QUINOLIN-11-AMINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727483	.	.	.	.	323.4	C22H17N3	29.8	460	5.3	25	1	2	2	"InChI=1S/C22H17N3/c1-25-19-14-8-6-12-17(19)20-21(23-15-9-3-2-4-10-15)16-11-5-7-13-18(16)24-22(20)25/h2-14H,1H3,(H,23,24)"	CN1C2=CC=CC=C2C3=C(C4=CC=CC=C4N=C31)NC5=CC=CC=C5	PPEMCIOSQLXPRB-UHFFFAOYSA-N
DG65833	(NZ)-N-[1-[3-[(6-methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethylidene]hydroxylamine	24203283	NSC727486; NSC-727486	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727486	.	.	.	.	383.4	C24H21N3O2	66.7	548	5.3	29	2	5	5	"InChI=1S/C24H21N3O2/c1-16(27-28)18-9-6-10-19(13-18)25-24-15-23(17-7-4-3-5-8-17)26-22-12-11-20(29-2)14-21(22)24/h3-15,28H,1-2H3,(H,25,26)/b27-16-"	C/C(=N/O)/C1=CC(=CC=C1)NC2=CC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4	KAGMDPAMBBYQEG-YUMHPJSZSA-N
DG65834	6-methoxy-N-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2-phenylquinolin-4-amine	24203284	NSC727487; NSC-727487	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727487	.	.	.	.	397.5	C25H23N3O2	55.7	563	5.6	30	1	5	6	"InChI=1S/C25H23N3O2/c1-17(28-30-3)19-10-7-11-20(14-19)26-25-16-24(18-8-5-4-6-9-18)27-23-13-12-21(29-2)15-22(23)25/h4-16H,1-3H3,(H,26,27)/b28-17-"	C/C(=N/OC)/C1=CC(=CC=C1)NC2=CC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4	GQFVNJNRZLNLMA-QRQIAZFYSA-N
DG65835	6-[2-(2-Phenylethynyl)phenyl]hex-5-yn-1-ol	24203326	CHEMBL225865; NSC727544; NSC-727544	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727544	.	.	.	.	274.4	C20H18O	20.2	418	4.6	21	1	1	6	"InChI=1S/C20H18O/c21-17-9-2-1-6-12-19-13-7-8-14-20(19)16-15-18-10-4-3-5-11-18/h3-5,7-8,10-11,13-14,21H,1-2,9,17H2"	C1=CC=C(C=C1)C#CC2=CC=CC=C2C#CCCCCO	XISJXWAPAVOZTH-UHFFFAOYSA-N
DG65836	"ethyl (Z)-3-(benzylamino)-2-(3,4-dioxonaphthalen-1-yl)but-2-enoate"	24203338	NSC727571; NSC-727571	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727571	.	.	.	.	375.4	C23H21NO4	72.5	685	3.9	28	1	5	7	"InChI=1S/C23H21NO4/c1-3-28-23(27)21(15(2)24-14-16-9-5-4-6-10-16)19-13-20(25)22(26)18-12-8-7-11-17(18)19/h4-13,24H,3,14H2,1-2H3/b21-15-"	CCOC(=O)/C(=C(/C)\\NCC1=CC=CC=C1)/C2=CC(=O)C(=O)C3=CC=CC=C32	YFADNQBSQLCXKO-QNGOZBTKSA-N
DG65837	"Methyl 4a-acetyloxy-5-benzyl-2,6,11-trioxobenzo[b]carbazole-1-carboxylate"	24203339	NSC727572; NSC-727572	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727572	.	.	.	.	469.4	C27H19NO7	107	1110	2.9	35	0	8	6	"InChI=1S/C27H19NO7/c1-15(29)35-27-13-12-19(30)20(26(33)34-2)22(27)21-23(28(27)14-16-8-4-3-5-9-16)25(32)18-11-7-6-10-17(18)24(21)31/h3-13H,14H2,1-2H3"	CC(=O)OC12C=CC(=O)C(=C1C3=C(N2CC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O)C(=O)OC	FBWOAFHQKYREPM-UHFFFAOYSA-N
DG65838	"17-Acetyl-9,14-dihydroxy-15,16-dimethyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione"	24203340	NSC727573; NSC-727573	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727573	.	.	.	.	351.4	C20H17NO5	94.9	850	1	26	2	6	1	"InChI=1S/C20H17NO5/c1-10-15(11(2)22)20-16(14(23)8-9-19(20,26)21(10)3)17(24)12-6-4-5-7-13(12)18(20)25/h4-9,24,26H,1-3H3"	CC1=C(C23C(=C(C4=CC=CC=C4C2=O)O)C(=O)C=CC3(N1C)O)C(=O)C	HTNWZJFQMCNNFU-UHFFFAOYSA-N
DG65839	H-4Abz-Gly-Pro-D-Gly(tBu)-D-Ala-NHOH	24203342	NSC727629; NSC-727629	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727629	.	.	.	.	490.6	C23H34N6O6	183	805	0.3	35	6	7	9	"InChI=1S/C23H34N6O6/c1-13(19(31)28-35)26-22(34)18(23(2,3)4)27-21(33)16-6-5-11-29(16)17(30)12-25-20(32)14-7-9-15(24)10-8-14/h7-10,13,16,18,35H,5-6,11-12,24H2,1-4H3,(H,25,32)(H,26,34)(H,27,33)(H,28,31)/t13-,16+,18+/m1/s1"	C[C@H](C(=O)NO)NC(=O)[C@@H](C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C2=CC=C(C=C2)N	RLXHXKXXKBARQZ-SKDZVZGDSA-N
DG65840	"4,3-Phenylenebis(methyleneoxy)] bisbenzenecarboximidamide, dihydrochloride salt"	24203365	"CHEMBL3277920; 118499-92-6; DTXSID20639811; BDBM50016525; NSC727667; NSC-727667; 4,3-phenylenebis(methyleneoxy)] bisbenzenecarboximidamide, dihydrochloride salt; 4,4'-[1,3-Phenylenebis(methyleneoxy)]di(benzene-1-carboximidamide)--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727667	.	.	.	.	410.9	C22H23ClN4O2	118	467	.	29	5	4	8	"InChI=1S/C22H22N4O2.ClH/c23-21(24)17-4-8-19(9-5-17)27-13-15-2-1-3-16(12-15)14-28-20-10-6-18(7-11-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H"	C1=CC(=CC(=C1)COC2=CC=C(C=C2)C(=N)N)COC3=CC=C(C=C3)C(=N)N.Cl	OHYCPCMYFBOJMX-UHFFFAOYSA-N
DG65841	"3,2-Phenylenebis(methyleneoxy)] bisbenzonitrile"	24203366	"NSC727668; NSC-727668; 3,2-phenylenebis(methyleneoxy)] bisbenzonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727668	.	.	.	.	340.4	C22H16N2O2	66	483	4.3	26	0	4	6	"InChI=1S/C22H16N2O2/c23-13-17-5-3-9-21(11-17)25-15-19-7-1-2-8-20(19)16-26-22-10-4-6-18(12-22)14-24/h1-12H,15-16H2"	C1=CC=C(C(=C1)COC2=CC=CC(=C2)C#N)COC3=CC=CC(=C3)C#N	YLWZKWVGHGOWAG-UHFFFAOYSA-N
DG65842	"4,2-Pohenylenebis(oxymethylene)]bisbenzenecarboximidam ide, dihydrochloride salt"	24203367	"118499-90-4; NSC727670; NSC-727670; 4,2-pohenylenebis(oxymethylene)]bisbenzenecarboximidam ide, dihydrochloride salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727670	.	.	.	.	410.9	C22H23ClN4O2	118	465	.	29	5	4	8	"InChI=1S/C22H22N4O2.ClH/c23-21(24)17-9-5-15(6-10-17)13-27-19-3-1-2-4-20(19)28-14-16-7-11-18(12-8-16)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H"	C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C(=N)N)OCC3=CC=C(C=C3)C(=N)N.Cl	SUAVPMRTKRWMAF-UHFFFAOYSA-N
DG65843	Ethyl 2-[[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoyl]amino]acetate	24203371	CHEMBL365644; NSC727687; NSC-727687	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727687	.	.	.	.	367.32	C17H16F3N3O3	80.3	488	3.4	26	2	8	7	"InChI=1S/C17H16F3N3O3/c1-2-26-15(24)10-22-16(25)12-5-3-4-6-13(12)23-11-7-8-21-14(9-11)17(18,19)20/h3-9H,2,10H2,1H3,(H,21,23)(H,22,25)"	CCOC(=O)CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2)C(F)(F)F	OQXQPZRGJISKEX-UHFFFAOYSA-N
DG65844	NSC727718	24203379	"[(3S,13R,15S)-3-methoxy-18-methyl-13-[(E)-4-methylpent-1-enyl]-11-oxo-12,19,20-trioxatricyclo[13.3.1.15,9]icosan-7-yl] (Z)-5-[2-[(Z)-3-(methoxycarbonylamino)prop-1-enyl]-1,3-oxazol-4-yl]pent-2-enoate; (+)-Leucascandrolide A; NSC727718; NSC-727718"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727718	.	.	.	.	700.9	C38H56N2O10	145	1160	6	50	1	11	14	"InChI=1S/C38H56N2O10/c1-25(2)10-8-12-28-18-29-16-15-26(3)34(48-29)22-30(44-4)19-31-20-32(21-33(47-31)23-37(42)49-28)50-36(41)14-7-6-11-27-24-46-35(40-27)13-9-17-39-38(43)45-5/h7-9,12-14,24-26,28-34H,6,10-11,15-23H2,1-5H3,(H,39,43)/b12-8+,13-9-,14-7-/t26 ,28-,29-,30-,31 ,32 ,33 ,34 /m0/s1"	CC1CC[C@H]2C[C@@H](OC(=O)CC3CC(CC(O3)C[C@@H](CC1O2)OC)OC(=O)/C=C\\CCC4=COC(=N4)/C=C\\CNC(=O)OC)/C=C/CC(C)C	ZZQYLRUTULGFDB-YVZUCCLMSA-N
DG65845	(-)-Leucascandrolide A	24203380	(-)-Leucascandrolide A; NSC727719; NSC-727719	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727719	.	.	.	.	700.9	C38H56N2O10	145	1160	6	50	1	11	14	"InChI=1S/C38H56N2O10/c1-25(2)10-8-12-28-18-29-16-15-26(3)34(48-29)22-30(44-4)19-31-20-32(21-33(47-31)23-37(42)49-28)50-36(41)14-7-6-11-27-24-46-35(40-27)13-9-17-39-38(43)45-5/h7-9,12-14,24-26,28-34H,6,10-11,15-23H2,1-5H3,(H,39,43)/b12-8+,13-9-,14-7-/t26 ,28-,29-,30-,31 ,32 ,33 ,34 /m1/s1"	CC1CC[C@@H]2C[C@H](OC(=O)CC3CC(CC(O3)C[C@H](CC1O2)OC)OC(=O)/C=C\\CCC4=COC(=N4)/C=C\\CNC(=O)OC)/C=C/CC(C)C	ZZQYLRUTULGFDB-JMMBLYJWSA-N
DG65846	"2-Fluoro-8-hydroxy-7-methoxy-1,3,11a-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-one"	24203385	"CHEMBL330122; SCHEMBL17930977; NSC727726; NSC-727726; 2-Fluoro-8-hydroxy-7-methoxy-1,3,11a- tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727726	.	.	.	.	264.25	C13H13FN2O3	62.1	403	0.8	19	1	5	1	"InChI=1S/C13H13FN2O3/c1-19-12-3-9-10(4-11(12)17)15-5-8-2-7(14)6-16(8)13(9)18/h3-5,7-8,17H,2,6H2,1H3/t7-,8+/m1/s1"	COC1=C(C=C2C(=C1)C(=O)N3C[C@@H](C[C@H]3C=N2)F)O	KJOULUMUODMRMP-SFYZADRCSA-N
DG65847	"1,5-diyl)dioxy]bis(11as)-2-fluoro-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one"	24203387	"NSC727729; NSC-727729; 1,5-diyl)dioxy]bis(11as)-2-fluoro-7-methoxy-1,2,3 ,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727729	.	.	.	.	596.6	C31H34F2N4O6	102	985	3.1	43	0	10	10	"InChI=1S/C31H34F2N4O6/c1-40-26-10-22-24(34-14-20-8-18(32)16-36(20)30(22)38)12-28(26)42-6-4-3-5-7-43-29-13-25-23(11-27(29)41-2)31(39)37-17-19(33)9-21(37)15-35-25/h10-15,18-21H,3-9,16-17H2,1-2H3/t18 ,19 ,20-,21-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CC(C[C@H]3C=N2)F)OCCCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CC(CN6C5=O)F)OC	SNIOWECMHONVCJ-JSRAGOMMSA-N
DG65848	"4-[(3-Chlorofuro[2,3-b]quinolin-4-yl)amino]phenol"	24203390	NSC727798; NSC-727798	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727798	.	.	.	.	310.7	C17H11ClN2O2	58.3	389	4.5	22	2	4	2	"InChI=1S/C17H11ClN2O2/c18-13-9-22-17-15(13)16(12-3-1-2-4-14(12)20-17)19-10-5-7-11(21)8-6-10/h1-9,21H,(H,19,20)"	C1=CC=C2C(=C1)C(=C3C(=COC3=N2)Cl)NC4=CC=C(C=C4)O	JVSYXUIPLMUBKE-UHFFFAOYSA-N
DG65849	NSC727908	24203399	"[6-[[(4S,6S,6aR,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate; NSC727908; NSC-727908"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727908	.	.	.	.	488.6	C28H40O7	105	794	5.2	35	3	7	5	"InChI=1S/C28H40O7/c1-12(2)10-18-11-14(4)19-9-8-13(3)20-22(19)21(18)15(5)26(23(20)30)35-28-25(32)24(31)27(16(6)33-28)34-17(7)29/h10,13-14,16,18-19,24-25,27-28,30-32H,8-9,11H2,1-7H3/t13-,14-,16 ,18+,19+,24 ,25 ,27 ,28 /m0/s1"	C[C@H]1CC[C@@H]2[C@H](C[C@H](C3=C(C(=C(C1=C23)O)OC4C(C(C(C(O4)C)OC(=O)C)O)O)C)C=C(C)C)C	ATSLYOOWNWXAIQ-HACPQOHYSA-N
DG65850	NSC727909	24203400	"[6-[[(4S,6S,6aR,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-4,5-dihydroxyoxan-3-yl] acetate; NSC727909; NSC-727909"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727909	.	.	.	.	474.6	C27H38O7	105	764	4.7	34	3	7	5	"InChI=1S/C27H38O7/c1-12(2)9-17-10-14(4)18-8-7-13(3)20-22(18)21(17)15(5)26(24(20)30)34-27-25(31)23(29)19(11-32-27)33-16(6)28/h9,13-14,17-19,23,25,27,29-31H,7-8,10-11H2,1-6H3/t13-,14-,17+,18+,19 ,23 ,25 ,27 /m0/s1"	C[C@H]1CC[C@@H]2[C@H](C[C@H](C3=C(C(=C(C1=C23)O)OC4C(C(C(CO4)OC(=O)C)O)O)C)C=C(C)C)C	GKCBYTVPJRUVKI-MQDOAEPYSA-N
DG65851	"(4R,6S,9E)-6,10-dimethyl-13-prop-1-en-2-yl-5,15-dioxatricyclo[12.2.1.04,6]heptadeca-1(17),9-dien-16-one"	24203410	NSC727920; NSC-727920	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727920	.	.	.	.	316.4	C20H28O3	38.8	571	4.1	23	0	3	1	"InChI=1S/C20H28O3/c1-13(2)16-9-7-14(3)6-5-11-20(4)18(23-20)10-8-15-12-17(16)22-19(15)21/h6,12,16-18H,1,5,7-11H2,2-4H3/b14-6+/t16 ,17 ,18-,20+/m1/s1"	C/C/1=C\\CC[C@]2([C@H](O2)CCC3=CC(C(CC1)C(=C)C)OC3=O)C	BWXZMHLZAGUSQW-PVCCPOOOSA-N
DG65852	"dimethyl 4-(2,5-dimethoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate"	24203414	NSC727926; NSC-727926	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727926	.	.	.	.	467.5	C25H25NO8	108	955	1.9	34	0	9	9	"InChI=1S/C25H25NO8/c1-14-8-21(28)15(9-20(14)27)11-26-12-18(24(29)33-4)23(19(13-26)25(30)34-5)17-10-16(31-2)6-7-22(17)32-3/h6-10,12-13,23H,11H2,1-5H3"	CC1=CC(=O)C(=CC1=O)CN2C=C(C(C(=C2)C(=O)OC)C3=C(C=CC(=C3)OC)OC)C(=O)OC	VGZOPBBAWKLNJT-UHFFFAOYSA-N
DG65853	"dimethyl 4-(3-methoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate"	24203415	NSC727927; NSC-727927	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727927	.	.	.	.	437.4	C24H23NO7	99.2	906	1.9	32	0	8	8	"InChI=1S/C24H23NO7/c1-14-8-21(27)16(10-20(14)26)11-25-12-18(23(28)31-3)22(19(13-25)24(29)32-4)15-6-5-7-17(9-15)30-2/h5-10,12-13,22H,11H2,1-4H3"	CC1=CC(=O)C(=CC1=O)CN2C=C(C(C(=C2)C(=O)OC)C3=CC(=CC=C3)OC)C(=O)OC	YIHMCFFDVLOLDW-UHFFFAOYSA-N
DG65854	"dimethyl 4-(2-methoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate"	24203416	NSC727928; NSC-727928	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727928	.	.	.	.	437.4	C24H23NO7	99.2	906	1.9	32	0	8	8	"InChI=1S/C24H23NO7/c1-14-9-20(27)15(10-19(14)26)11-25-12-17(23(28)31-3)22(18(13-25)24(29)32-4)16-7-5-6-8-21(16)30-2/h5-10,12-13,22H,11H2,1-4H3"	CC1=CC(=O)C(=CC1=O)CN2C=C(C(C(=C2)C(=O)OC)C3=CC=CC=C3OC)C(=O)OC	ZOLCFPNFBVTSOQ-UHFFFAOYSA-N
DG65855	"dimethyl 4-(2,3-dimethoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate"	24203417	NSC727929; NSC-727929	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727929	.	.	.	.	467.5	C25H25NO8	108	955	1.9	34	0	9	9	"InChI=1S/C25H25NO8/c1-14-9-20(28)15(10-19(14)27)11-26-12-17(24(29)33-4)22(18(13-26)25(30)34-5)16-7-6-8-21(31-2)23(16)32-3/h6-10,12-13,22H,11H2,1-5H3"	CC1=CC(=O)C(=CC1=O)CN2C=C(C(C(=C2)C(=O)OC)C3=C(C(=CC=C3)OC)OC)C(=O)OC	HKUFJXIUHJRNQQ-UHFFFAOYSA-N
DG65856	"Dimethyl 4-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-1,4-dihydropyridine-3,5-dicarboxylate"	24203418	NSC727930; NSC-727930	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727930	.	.	.	.	317.29	C16H15NO6	98.8	691	0.3	23	1	7	5	"InChI=1S/C16H15NO6/c1-8-4-13(19)9(5-12(8)18)14-10(15(20)22-2)6-17-7-11(14)16(21)23-3/h4-7,14,17H,1-3H3"	CC1=CC(=O)C(=CC1=O)C2C(=CNC=C2C(=O)OC)C(=O)OC	UJIJDIOONPWVDL-UHFFFAOYSA-N
DG65857	"5-(Benzothiazol-2-ylsulfanyl)-5-(4-chloro-phenyl)-2-cyano-pe nta-2,4-dienoic acid ethyl ester"	24203419	"NSC727950; NSC-727950; 5-(Benzothiazol-2-ylsulfanyl)-5-(4-chloro-phenyl)-2-cyano-pe nta-2,4-dienoic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727950	.	.	.	.	426.9	C21H15ClN2O2S2	117	665	6.4	28	0	6	7	"InChI=1S/C21H15ClN2O2S2/c1-2-26-20(25)15(13-23)9-12-18(14-7-10-16(22)11-8-14)27-21-24-17-5-3-4-6-19(17)28-21/h3-12H,2H2,1H3/b15-9-,18-12+"	CCOC(=O)/C(=C\\C=C(/C1=CC=C(C=C1)Cl)\\SC2=NC3=CC=CC=C3S2)/C#N	YNGHCTKDAMUIKL-OZKBIJRCSA-N
DG65858	[3-(4-Chloro-phenyl)-3-oxo-propenylamino]-acetonitrile	24203420	NSC727955; ZINC16400608; AKOS024385154; NSC-727955; [3-(4-Chloro-phenyl)-3-oxo-propenylamino]-acetonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727955	.	.	.	.	220.65	C11H9ClN2O	52.9	284	2.8	15	1	3	4	"InChI=1S/C11H9ClN2O/c12-10-3-1-9(2-4-10)11(15)5-7-14-8-6-13/h1-5,7,14H,8H2/b7-5-"	C1=CC(=CC=C1C(=O)/C=C\\NCC#N)Cl	SREQUKUKPHWDDP-ALCCZGGFSA-N
DG65859	"1-Ethyl-6-(Ethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-amine"	24203438	"NSC728028; NSC-728028; 1 - Ethyl -6 - (Ethylthio) - 1H - pyrazolo[3,4-d]pyrimidin - 4 - amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728028	.	.	.	.	223.3	C9H13N5S	94.9	215	1.3	15	1	5	3	"InChI=1S/C9H13N5S/c1-3-14-8-6(5-11-14)7(10)12-9(13-8)15-4-2/h5H,3-4H2,1-2H3,(H2,10,12,13)"	CCN1C2=NC(=NC(=C2C=N1)N)SCC	RCYYIEGGXUPAJO-UHFFFAOYSA-N
DG65860	"6'-Amino-2'-oxo-2',3H-spiro[1,3-benzothiazole-2, 4'-pyrimidine]-5'-carbonitrile"	24203439	"NSC728030; NSC-728030; 6'- Amino-2'-oxo-2',3H-spiro[1,3-benzothiazole-2, 4'-pyrimidine]-5'-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728030	.	.	.	.	259.29	C11H9N5OS	128	481	0.9	18	4	5	0	"InChI=1S/C11H9N5OS/c12-5-6-9(13)14-10(17)16-11(6)15-7-3-1-2-4-8(7)18-11/h1-4,15H,13H2,(H2,14,16,17)"	C1=CC=C2C(=C1)NC3(S2)C(=C(NC(=O)N3)N)C#N	QUAKQGMFVXKFGY-UHFFFAOYSA-N
DG65861	"6'-Amino-2'-thioxo-1',3,3'-tetrahydro-1H-spiro[benzimidaz ole-2,4'-pyrimidine]-5'-carbonitrile"	24203441	"NSC728032; NSC-728032; 6'-Amino-2'-thioxo-1',3,3'-tetrahydro-1H-spiro[benzimidaz ole-2,4'-pyrimidine]-5'-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728032	.	.	.	.	258.3	C11H10N6S	130	461	1	18	5	5	0	"InChI=1S/C11H10N6S/c12-5-6-9(13)14-10(18)17-11(6)15-7-3-1-2-4-8(7)16-11/h1-4,15-16H,13H2,(H2,14,17,18)"	C1=CC=C2C(=C1)NC3(N2)C(=C(NC(=S)N3)N)C#N	ZWKBHADRJUKWQT-UHFFFAOYSA-N
DG65862	"2-(3,4-Dichlorophenoxy)-3-phenylquinoxaline-5,7-diamine"	24203443	CHEMBL482438; NSC728036; NSC-728036	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728036	.	.	.	.	397.3	C20H14Cl2N4O	87	493	4.6	27	2	5	3	"InChI=1S/C20H14Cl2N4O/c21-14-7-6-13(10-15(14)22)27-20-18(11-4-2-1-3-5-11)26-19-16(24)8-12(23)9-17(19)25-20/h1-10H,23-24H2"	C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2OC4=CC(=C(C=C4)Cl)Cl)N)N	TZKVFIQELBFAKJ-UHFFFAOYSA-N
DG65863	"2-[(3,4-Dichloro-phenyl)amino]-3-phenyl-5,7-diaminoquinoxaline"	24203444	"CHEMBL465890; BDBM50251163; NSC728037; NSC-728037; 2-[(3,4-Dichloro-phenyl)amino]-3-phenyl-5,7-diaminoquinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728037	.	.	.	.	396.3	C20H15Cl2N5	89.8	489	4.6	27	3	5	3	"InChI=1S/C20H15Cl2N5/c21-14-7-6-13(10-15(14)22)25-20-18(11-4-2-1-3-5-11)27-19-16(24)8-12(23)9-17(19)26-20/h1-10H,23-24H2,(H,25,26)"	C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2NC4=CC(=C(C=C4)Cl)Cl)N)N	BJJFDFPYWNZIKB-UHFFFAOYSA-N
DG65864	"2[(3,7-Diamino quinoxaline"	24203445	"2[(3,7-diamino quinoxaline; CHEMBL520184; NSC728038; NSC-728038"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728038	.	.	.	.	410.3	C21H17Cl2N5	89.8	503	4.6	28	3	5	4	"InChI=1S/C21H17Cl2N5/c22-15-7-6-12(8-16(15)23)11-26-21-19(13-4-2-1-3-5-13)28-20-17(25)9-14(24)10-18(20)27-21/h1-10H,11,24-25H2,(H,26,27)"	C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2NCC4=CC(=C(C=C4)Cl)Cl)N)N	NNGOKNNYOCPIFG-UHFFFAOYSA-N
DG65865	"2-[4-(Methoxy)anilino]-6,8-diamino quinoxaline"	24203446	"NSC728039; NSC-728039; 2-[4-(methoxy)anilino]-6,8-diamino quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728039	.	.	.	.	281.31	C15H15N5O	99.1	334	1.7	21	3	6	3	"InChI=1S/C15H15N5O/c1-21-11-4-2-10(3-5-11)19-14-8-18-13-7-9(16)6-12(17)15(13)20-14/h2-8H,16-17H2,1H3,(H,19,20)"	COC1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3N=C2)N)N	NNPSCCQILJDCPL-UHFFFAOYSA-N
DG65866	"2-[4-(Methoxy)phenyltio]-3-phenyl-5,7-diamino quinoxaline"	24203447	"CHEMBL519372; NSC728040; NSC-728040; 2-[4-(methoxy)phenyltio]-3-phenyl-5,7-diamino quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728040	.	.	.	.	374.5	C21H18N4OS	112	467	3.9	27	2	6	4	"InChI=1S/C21H18N4OS/c1-26-15-7-9-16(10-8-15)27-21-19(13-5-3-2-4-6-13)25-20-17(23)11-14(22)12-18(20)24-21/h2-12H,22-23H2,1H3"	COC1=CC=C(C=C1)SC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N	YAMJDKJAVOJLBD-UHFFFAOYSA-N
DG65867	3-[2-[2-[4-[2-[2-(3-Hydroxyprop-1-ynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]prop-2-yn-1-ol	24203456	NSC728071; NSC-728071	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728071	.	.	.	.	386.4	C28H18O2	40.5	749	5	30	2	2	6	"InChI=1S/C28H18O2/c29-21-5-11-25-7-1-3-9-27(25)19-17-23-13-15-24(16-14-23)18-20-28-10-4-2-8-26(28)12-6-22-30/h1-4,7-10,13-16,29-30H,21-22H2"	C1=CC=C(C(=C1)C#CCO)C#CC2=CC=C(C=C2)C#CC3=CC=CC=C3C#CCO	YEVMHLDIYTUKSV-UHFFFAOYSA-N
DG65868	"2-Carboxyphenyl-6,4-dioxide"	24203458	"2-carboxyphenyl-6,4-dioxide; CHEMBL1774801; NSC728075; NSC-728075"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728075	.	.	.	.	316.26	C16H10F2N2O3	63.4	545	2.2	23	0	6	2	"InChI=1S/C16H10F2N2O3/c1-9-15(16(21)10-5-3-2-4-6-10)20(23)14-8-12(18)11(17)7-13(14)19(9)22/h2-8H,1H3"	CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)C(=O)C3=CC=CC=C3	RALRPYNIKWPWHZ-UHFFFAOYSA-N
DG65869	"2-Cyano-6,7-difluoro-3-(4'-methoxycarbonyl)phenylquinoxaline"	24203459	"NSC728077; NSC-728077; 2-cyano-6,7-difluoro-3-(4'-methoxycarbonyl)phenylquinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728077	.	.	.	.	325.27	C17H9F2N3O2	75.9	515	3	24	0	7	3	"InChI=1S/C17H9F2N3O2/c1-24-17(23)10-4-2-9(3-5-10)16-15(8-20)21-13-6-11(18)12(19)7-14(13)22-16/h2-7H,1H3"	COC(=O)C1=CC=C(C=C1)C2=NC3=CC(=C(C=C3N=C2C#N)F)F	IXPRPRSCPKDGFR-UHFFFAOYSA-N
DG65870	"2-Carboxy-tert-butyl-6,4-dioxide"	24203460	"2-carboxy-tert-butyl-6,4-dioxide; NSC728079; NSC-728079"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728079	.	.	.	.	342.31	C16H17F3N2O3	63.4	592	2.9	24	0	7	2	"InChI=1S/C16H17F3N2O3/c1-8-6-10-11(7-9(8)2)21(24)13(16(17,18)19)12(20(10)23)14(22)15(3,4)5/h6-7H,1-5H3"	CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C(F)(F)F)C(=O)C(C)(C)C	DNXLODGLEDKKSJ-UHFFFAOYSA-N
DG65871	"7-Chloro-4-(4,4-d] pyrimidine-1-yl)-Quinoline"	24203467	"NSC728188; NSC-728188; 7-Chloro -4- ( 4,4-d] pyrimidine-1-yl)-Quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728188	.	.	.	.	373.9	C16H12ClN5S2	107	445	4.4	24	0	6	3	"InChI=1S/C16H12ClN5S2/c1-23-15-11-8-19-22(14(11)20-16(21-15)24-2)13-5-6-18-12-7-9(17)3-4-10(12)13/h3-8H,1-2H3"	CSC1=NC(=NC2=C1C=NN2C3=C4C=CC(=CC4=NC=C3)Cl)SC	HQUNKQKSRZLCBU-UHFFFAOYSA-N
DG65872	"1-(2-Chloro,6-fluorophenyl)-5,6-dimethyl-benzimidazole"	24203473	"NSC728195; NSC-728195; 1-(2-chloro,6-fluorophenyl)-5,6- dimethyl-benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728195	.	.	.	.	417.3	C22H16Cl2F2N2	17.8	539	6.9	28	0	3	3	"InChI=1S/C22H16Cl2F2N2/c1-12-9-19-20(10-13(12)2)28(11-14-15(23)5-3-7-17(14)25)22(27-19)21-16(24)6-4-8-18(21)26/h3-10H,11H2,1-2H3"	CC1=CC2=C(C=C1C)N(C(=N2)C3=C(C=CC=C3Cl)F)CC4=C(C=CC=C4Cl)F	XKIDVUQKLQEGID-UHFFFAOYSA-N
DG65873	1-(3-Bromo-phenyl)-3-(pyridin-2-ylsulfanyl)-propenone	24203485	NSC728220; ZINC12367763; NSC-728220; 1-(3-Bromo-phenyl)-3-(pyridin-2-ylsulfanyl)-propenone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728220	.	.	.	.	320.21	C14H10BrNOS	55.3	308	3.9	18	0	3	4	InChI=1S/C14H10BrNOS/c15-12-5-3-4-11(10-12)13(17)7-9-18-14-6-1-2-8-16-14/h1-10H/b9-7-	C1=CC=NC(=C1)S/C=C\\C(=O)C2=CC(=CC=C2)Br	GJWHSAKIWYZZJY-CLFYSBASSA-N
DG65874	"5,3,5,6-Tetrachloro-pyridin-4-ylsulfanyl)-vinyl]-cyclohex-2-enone"	24203486	"NSC728221; ZINC16577608; AKOS024386746; NSC-728221; 5,3,5,6-tetrachloro-pyridin-4-ylsulfanyl) -vinyl]-cyclohex-2-enone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728221	.	.	.	.	397.1	C15H13Cl4NOS	55.3	480	5.9	22	0	3	3	"InChI=1S/C15H13Cl4NOS/c1-15(2)6-8(5-9(21)7-15)3-4-22-12-10(16)13(18)20-14(19)11(12)17/h3-5H,6-7H2,1-2H3/b4-3+"	CC1(CC(=CC(=O)C1)/C=C/SC2=C(C(=NC(=C2Cl)Cl)Cl)Cl)C	WZTBFQXAKDOOBP-ONEGZZNKSA-N
DG65875	"N-[3-[4-[(Z)-6-(2-aminophenyl)hex-3-en-1,5-diynyl]phenoxy]propyl]-1H-indole-2-carboxamide"	24203495	NSC728271; NSC-728271	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728271	.	.	.	.	459.5	C30H25N3O2	80.1	848	6.1	35	3	3	8	"InChI=1S/C30H25N3O2/c31-27-14-7-5-12-24(27)11-4-2-1-3-10-23-16-18-26(19-17-23)35-21-9-20-32-30(34)29-22-25-13-6-8-15-28(25)33-29/h1-2,5-8,12-19,22,33H,9,20-21,31H2,(H,32,34)/b2-1-"	C1=CC=C2C(=C1)C=C(N2)C(=O)NCCCOC3=CC=C(C=C3)C#C/C=C\\C#CC4=CC=CC=C4N	YHSIXAXEEMBGII-UPHRSURJSA-N
DG65876	16-[3-Methoxy-4-(2-pyrrolidine-1-yl ethoxy)benzylidene]-3a-pyrrolidino-5-androsten-17a-yl acetate	24203498	NSC728322; NSC-728322; 16-[3-Methoxy-4-(2-pyrrolidine-1-yl ethoxy)benzylidene]-3a-pyrrolidino-5-androsten-17a-yl acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728322	.	.	.	.	616.9	C39H56N2O4	51.2	1120	6.9	45	0	6	9	"InChI=1S/C39H56N2O4/c1-27(42)45-37-29(23-28-9-12-35(36(24-28)43-4)44-22-21-40-17-5-6-18-40)25-34-32-11-10-30-26-31(41-19-7-8-20-41)13-15-38(30,2)33(32)14-16-39(34,37)3/h9-10,12,23-24,31-34,37H,5-8,11,13-22,25-26H2,1-4H3/b29-23+/t31 ,32 ,33 ,34 ,37 ,38-,39-/m0/s1"	CC(=O)OC1/C(=C/C2=CC(=C(C=C2)OCCN3CCCC3)OC)/CC4[C@@]1(CCC5C4CC=C6[C@@]5(CCC(C6)N7CCCC7)C)C	SCIMMAWSTPIOIP-GYGLUOJWSA-N
DG65877	16-[3-Methoxy-4-(2-pyrrolidine-1-yl ethoxy)benzylidene]-17-oxo-5-androsten-3a-yl acetate	24203499	NSC728323; NSC-728323; 16-[3-Methoxy-4-(2-pyrrolidine-1-yl ethoxy)benzylidene]-17-oxo-5-androsten-3a-yl acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728323	.	.	.	.	561.7	C35H47NO5	65.099	1060	6.2	41	0	6	8	"InChI=1S/C35H47NO5/c1-23(37)41-27-11-13-34(2)26(22-27)8-9-28-29(34)12-14-35(3)30(28)21-25(33(35)38)19-24-7-10-31(32(20-24)39-4)40-18-17-36-15-5-6-16-36/h7-8,10,19-20,27-30H,5-6,9,11-18,21-22H2,1-4H3/b25-19+/t27 ,28 ,29 ,30 ,34-,35-/m0/s1"	CC(=O)OC1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)C/C(=C\\C5=CC(=C(C=C5)OCCN6CCCC6)OC)/C4=O)C)C	HNASGHCUVZFGAO-BJLNDYMUSA-N
DG65878	16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-17-ox o-5-androsten-3b-ol	24203500	NSC728325; NSC-728325; 16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-17-ox o-5-androsten-3b-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728325	.	.	.	.	530.7	C33H42N2O4	73.6	979	5.1	39	1	5	7	"InChI=1S/C33H42N2O4/c1-32-11-9-25(36)20-24(32)6-7-26-27(32)10-12-33(2)28(26)19-23(31(33)37)17-22-5-8-29(30(18-22)38-3)39-16-4-14-35-15-13-34-21-35/h5-6,8,13,15,17-18,21,25-28,36H,4,7,9-12,14,16,19-20H2,1-3H3/b23-17+/t25-,26 ,27 ,28 ,32-,33-/m0/s1"	C[C@]12CC[C@@H](CC1=CCC3C2CC[C@]4(C3C/C(=C\\C5=CC(=C(C=C5)OCCCN6C=CN=C6)OC)/C4=O)C)O	URDRTXKGQFKHDU-CCZVNGOBSA-N
DG65879	4-Fluoro-N-{4[-3-(4-hydroxy-phenyl)-acryloyl]-phenyl}-benzen esulfonamide	24203513	NSC728413; NSC-728413; 4-Fluoro-N-{4[-3-(4-hydroxy-phenyl)-acryloyl]-phenyl}-benzen esulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728413	.	.	.	.	427.4	C22H18FNO5S	101	691	3.9	30	2	7	7	"InChI=1S/C22H18FNO5S/c1-29-22-14-19(11-12-20(22)23)30(27,28)24-17-7-5-16(6-8-17)21(26)13-4-15-2-9-18(25)10-3-15/h2-14,24-25H,1H3/b13-4+"	COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)O)F	DBTWQXYEXLZZBK-YIXHJXPBSA-N
DG65880	"4-Fluoro-3-methoxy-N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-y l)-phenyl]-benzenesulfonamide"	24203515	"NSC728415; NSC-728415; 4-Fluoro-3-methoxy-N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-y l)-phenyl]-benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728415	.	.	.	.	425.5	C22H20FN3O3S	88.2	697	3.9	30	2	7	6	"InChI=1S/C22H20FN3O3S/c1-29-22-13-18(11-12-19(22)23)30(27,28)26-17-9-7-16(8-10-17)21-14-20(24-25-21)15-5-3-2-4-6-15/h2-13,20,24,26H,14H2,1H3"	COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NNC(C3)C4=CC=CC=C4)F	VSCCKYKQQJZJNI-UHFFFAOYSA-N
DG65881	1-[3-[6-(Benzenesulfonyl)hex-4-ynoxy]prop-1-ynyl]-2-[3-(benzenesulfonyl)prop-1-ynyl]benzene	24203526	NSC728450; NSC-728450	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728450	.	.	.	.	530.7	C30H26O5S2	94.3	1120	4.9	37	0	5	10	"InChI=1S/C30H26O5S2/c31-36(32,29-19-5-3-6-20-29)25-12-2-1-11-23-35-24-13-17-27-15-9-10-16-28(27)18-14-26-37(33,34)30-21-7-4-8-22-30/h3-10,15-16,19-22H,1,11,23-26H2"	C1=CC=C(C=C1)S(=O)(=O)CC#CCCCOCC#CC2=CC=CC=C2C#CCS(=O)(=O)C3=CC=CC=C3	ZHIGRRNZMQIZGY-UHFFFAOYSA-N
DG65882	"2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]aniline"	24203529	NSC728456; NSC-728456	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728456	.	.	.	.	245.28	C16H11N3	51.8	440	2.2	19	1	3	2	"InChI=1S/C16H11N3/c17-16-10-6-5-8-14(16)7-3-1-2-4-9-15-13-18-11-12-19-15/h1-2,5-6,8,10-13H,17H2/b2-1-"	C1=CC=C(C(=C1)C#C/C=C\\C#CC2=NC=CN=C2)N	WQIICJJBZWLNQM-UPHRSURJSA-N
DG65883	"2-Acetyl-7-chloro-3-trifluoromethylquinoxaline 1,4-dioxide"	24203530	"NSC728457; NSC-728457; 2-acetyl-7-chloro-3-trifluoromethylquinoxaline 1,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728457	.	.	.	.	306.62	C11H6ClF3N2O3	63.4	492	1.4	20	0	7	1	"InChI=1S/C11H6ClF3N2O3/c1-5(18)9-10(11(13,14)15)17(20)7-3-2-6(12)4-8(7)16(9)19/h2-4H,1H3"	CC(=O)C1=C(N(C2=C([N+]1=O)C=C(C=C2)Cl)[O-])C(F)(F)F	CDYWUOADKPSTQO-UHFFFAOYSA-N
DG65884	"2-Acetyl-7-methyl-3-trifluoromethylquinoxaline 1,4-dioxide"	24203531	"NSC728458; NSC-728458; 2-acetyl-7-methyl-3-trifluoromethylquinoxaline 1,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728458	.	.	.	.	286.21	C12H9F3N2O3	63.4	487	1.2	20	0	7	1	"InChI=1S/C12H9F3N2O3/c1-6-3-4-8-9(5-6)16(19)10(7(2)18)11(17(8)20)12(13,14)15/h3-5H,1-2H3"	CC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C)C(F)(F)F)[O-]	PUWOZIADALSNEF-UHFFFAOYSA-N
DG65885	Fluoro quinolone derivatives	24203532	FLUORO QUINOLONE DERIVATIVES; NSC728459; NSC-728459	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728459	.	.	.	.	563	C28H24ClFN6O4	127	1000	2	40	3	10	7	"InChI=1S/C28H24ClFN6O4/c29-19-3-1-17(2-4-19)24(33-34-27(38)18-5-7-31-8-6-18)16-35-9-11-36(12-10-35)25-14-23-20(13-22(25)30)26(37)21(15-32-23)28(39)40/h1-8,13-15H,9-12,16H2,(H,32,37)(H,34,38)(H,39,40)/b33-24+"	C1CN(CCN1C/C(=N\\NC(=O)C2=CC=NC=C2)/C3=CC=C(C=C3)Cl)C4=C(C=C5C(=C4)NC=C(C5=O)C(=O)O)F	UGCCHJXVOWZZMH-IWBSIUBASA-N
DG65886	5[(4-Hydroxy)-benzyliden]-2-phenylimino-3-propyl-4-thyazolid inone	24203565	NSC728574; NSC-728574; 5[(4-hydroxy)-benzyliden]-2-phenylimino-3-propyl-4-thyazolid inone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728574	.	.	.	.	338.4	C19H18N2O2S	78.2	504	4.8	24	1	4	4	"InChI=1S/C19H18N2O2S/c1-2-12-21-18(23)17(13-14-8-10-16(22)11-9-14)24-19(21)20-15-6-4-3-5-7-15/h3-11,13,22H,2,12H2,1H3/b17-13-,20-19 "	CCCN1C(=O)/C(=C/C2=CC=C(C=C2)O)/SC1=NC3=CC=CC=C3	JIVJBHXMEOLWQZ-KLAKZEAMSA-N
DG65887	2-[2-[2-(2-Pyrazin-2-ylethynyl)phenyl]ethynyl]aniline	24203580	NSC728598; NSC-728598	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728598	.	.	.	.	295.3	C20H13N3	51.8	514	3.2	23	1	3	4	"InChI=1S/C20H13N3/c21-20-8-4-3-7-18(20)10-9-16-5-1-2-6-17(16)11-12-19-15-22-13-14-23-19/h1-8,13-15H,21H2"	C1=CC=C(C(=C1)C#CC2=CC=CC=C2N)C#CC3=NC=CN=C3	BJWREBDQBRWMNN-UHFFFAOYSA-N
DG65888	2-[2-[2-(2-Thiophen-2-ylethynyl)phenyl]ethynyl]aniline	24203581	NSC728599; NSC-728599	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728599	.	.	.	.	299.4	C20H13NS	54.3	499	5	22	1	2	4	"InChI=1S/C20H13NS/c21-20-10-4-3-8-18(20)12-11-16-6-1-2-7-17(16)13-14-19-9-5-15-22-19/h1-10,15H,21H2"	C1=CC=C(C(=C1)C#CC2=CC=CC=C2N)C#CC3=CC=CS3	PYJYXNYRUBZNII-UHFFFAOYSA-N
DG65889	"2-[(Z)-6-(2-methylsulfanylphenyl)hex-3-en-1,5-diynyl]aniline"	24203586	NSC728666; NSC-728666	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728666	.	.	.	.	289.4	C19H15NS	51.3	481	4.8	21	1	2	3	"InChI=1S/C19H15NS/c1-21-19-15-9-7-13-17(19)12-5-3-2-4-10-16-11-6-8-14-18(16)20/h2-3,6-9,11,13-15H,20H2,1H3/b3-2-"	CSC1=CC=CC=C1C#C/C=C\\C#CC2=CC=CC=C2N	ABGMGRWKYRXUSZ-IHWYPQMZSA-N
DG65890	"2-[(Z)-6-phenylhex-3-en-1,5-diynyl]aniline"	24203587	NSC728667; NSC-728667	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728667	.	.	.	.	243.3	C18H13N	26	427	4.3	19	1	1	2	"InChI=1S/C18H13N/c19-18-15-9-8-14-17(18)13-7-2-1-4-10-16-11-5-3-6-12-16/h1-3,5-6,8-9,11-12,14-15H,19H2/b2-1-"	C1=CC=C(C=C1)C#C/C=C\\C#CC2=CC=CC=C2N	HDUUPYWKPHLUJG-UPHRSURJSA-N
DG65891	"2-[(E)-[6-(2,5-dimethylthiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	24203627	NSC728905; NSC-728905	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728905	.	.	.	.	368.9	C14H17ClN6S2	151	466	.	23	3	5	3	"InChI=1S/C14H16N6S2.ClH/c1-7-4-10(9(3)21-7)12-11(5-17-19-13(15)16)20-6-8(2)22-14(20)18-12;/h4-6H,1-3H3,(H4,15,16,19);1H/b17-5+;"	CC1=CC(=C(S1)C)C2=C(N3C=C(SC3=N2)C)/C=N/N=C(N)N.Cl	PHHLSLAKSIUNQU-YAKHFBBESA-N
DG65892	"2-[(E)-(6-thiophen-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	24203631	NSC728907; NSC-728907	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728907	.	.	.	.	326.8	C11H11ClN6S2	151	383	.	20	3	5	3	"InChI=1S/C11H10N6S2.ClH/c12-10(13)16-14-5-8-9(7-1-3-18-6-7)15-11-17(8)2-4-19-11;/h1-6H,(H4,12,13,16);1H/b14-5+;"	C1=CSC=C1C2=C(N3C=CSC3=N2)/C=N/N=C(N)N.Cl	OBMMMQCIZOLGQL-OCSIRBNJSA-N
DG65893	"2-[(E)-(2-methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	24203636	NSC728910; NSC-728910	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728910	.	.	.	.	335.82	C13H14ClN7S	135	417	.	22	3	5	3	"InChI=1S/C13H13N7S.ClH/c1-8-7-20-10(6-17-19-12(14)15)11(18-13(20)21-8)9-2-4-16-5-3-9;/h2-7H,1H3,(H4,14,15,19);1H/b17-6+;"	CC1=CN2C(=C(N=C2S1)C3=CC=NC=C3)/C=N/N=C(N)N.Cl	TVWAEZMLYZXIJY-ZDEOBDHWSA-N
DG65894	1'-beta-(4-nitro-5-amino-1-imidazolyl)-5'-D-ribosyl 5-nitrofurfuryl N-methyl-N-(4-chorobutyl) phosphoramidate	24203651	NSC729025; NSC-729025; 1'-beta-(4-nitro-5-amino-1-imidazolyl)-5'-D-ribosyl 5-nitrofurfuryl N-methyl-N-(4-chorobutyl) phosphoramidate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729025	.	.	.	.	568.9	C18H26ClN6O11P	237	837	0.4	37	3	14	12	"InChI=1S/C18H26ClN6O11P/c1-22(7-3-2-6-19)37(32,33-8-11-4-5-13(35-11)24(28)29)34-9-12-14(26)15(27)18(36-12)23-10-21-17(16(23)20)25(30)31/h4-5,10,12,14-15,18,26-27H,2-3,6-9,20H2,1H3"	CN(CCCCCl)P(=O)(OCC1C(C(C(O1)N2C=NC(=C2N)[N+](=O)[O-])O)O)OCC3=CC=C(O3)[N+](=O)[O-]	BFYXOALVCUWMQB-UHFFFAOYSA-N
DG65895	2-[5-(2-Thiophenaldehyde-5-yy)p-phenylene]benzoxazole	24203652	NSC729027; NSC-729027; 2-[5-(2-Thiophenaldehyde-5-yy)p-phenylene]benzoxazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729027	.	.	.	.	305.4	C18H11NO2S	71.3	397	4.6	22	0	4	3	InChI=1S/C18H11NO2S/c20-11-14-9-10-17(22-14)12-5-7-13(8-6-12)18-19-15-3-1-2-4-16(15)21-18/h1-11H	C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C4=CC=C(S4)C=O	CHOSKXGIVHUCCC-UHFFFAOYSA-N
DG65896	2[5(2-Thiophenaldehyde-5-yl)p-phenylene]benzimidazole	24203654	NSC729029; NSC-729029; 2[5(2-Thiophenaldehyde-5-yl)p-phenylene]benzimidazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729029	.	.	.	.	304.4	C18H12N2OS	74	397	4.4	22	1	3	3	"InChI=1S/C18H12N2OS/c21-11-14-9-10-17(22-14)12-5-7-13(8-6-12)18-19-15-3-1-2-4-16(15)20-18/h1-11H,(H,19,20)"	C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)C4=CC=C(S4)C=O	RNIHRDPOMOQIAI-UHFFFAOYSA-N
DG65897	"6'-Amino-2'-thioxo-2',3'-tetrahydro spiro[benzothiazole-2,4'-pyrimidine]-5'-carbonitrile"	24203655	"NSC729031; NSC-729031; 6'-Amino-2'-thioxo-2',3'-tetrahydro spiro[benzothiazole-2,4'-pyrimidine]-5'-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729031	.	.	.	.	275.4	C11H9N5S2	143	479	1.5	18	4	5	0	"InChI=1S/C11H9N5S2/c12-5-6-9(13)14-10(17)16-11(6)15-7-3-1-2-4-8(7)18-11/h1-4,15H,13H2,(H2,14,16,17)"	C1=CC=C2C(=C1)NC3(S2)C(=C(NC(=S)N3)N)C#N	VWECLVSDAKTFBS-UHFFFAOYSA-N
DG65898	"6'-Amino-2'-thioxo-2',3'-tetrahydro spiro[benzoxazole-2,4'-pyrimidine]-5'-carbonitrile"	24203657	"NSC729033; NSC-729033; 6'-Amino-2'-thioxo-2',3'-tetrahydro spiro[benzoxazole-2,4'-pyrimidine]-5'-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729033	.	.	.	.	259.29	C11H9N5OS	127	481	1	18	4	5	0	"InChI=1S/C11H9N5OS/c12-5-6-9(13)14-10(18)16-11(6)15-7-3-1-2-4-8(7)17-11/h1-4,15H,13H2,(H2,14,16,18)"	C1=CC=C2C(=C1)NC3(O2)C(=C(NC(=S)N3)N)C#N	IGNKULLNNARJCD-UHFFFAOYSA-N
DG65899	"6'-Amino-2'-morpholin-4-yl-1'H,3-benzimidazole-2, 4'-pyrimidine]-5'carbonitrile"	24203661	"NSC729037; NSC-729037; 6'-Amino-2'-morpholin-4-yl-1'H,3-benzimidazole-2, 4'-pyrimidine]-5'carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729037	.	.	.	.	311.34	C15H17N7O	111	584	0.3	23	4	6	1	"InChI=1S/C15H17N7O/c16-9-10-13(17)18-14(22-5-7-23-8-6-22)21-15(10)19-11-3-1-2-4-12(11)20-15/h1-4,19-20H,5-8,17H2,(H,18,21)"	C1COCCN1C2=NC3(C(=C(N2)N)C#N)NC4=CC=CC=C4N3	DTCMWHGGAASIBO-UHFFFAOYSA-N
DG65900	trans-N-(6-chrysenyl)-3-mesyloxy-4-phenyl-2-azetidinone	24203669	NSC729109; NSC-729109; trans-N-(6-chrysenyl)-3-mesyloxy-4-phenyl-2-azetidinone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729109	.	.	.	.	467.5	C28H21NO4S	72.1	862	5.8	34	0	4	4	"InChI=1S/C28H21NO4S/c1-34(31,32)33-27-26(19-10-3-2-4-11-19)29(28(27)30)25-17-24-20-12-6-5-9-18(20)15-16-22(24)21-13-7-8-14-23(21)25/h2-17,26-27H,1H3/t26-,27-/m1/s1"	CS(=O)(=O)O[C@@H]1[C@H](N(C1=O)C2=CC3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52)C6=CC=CC=C6	LIXJMPNUXCZYFE-KAYWLYCHSA-N
DG65901	3-[(2E)-2-hydroxyimino-2-phenylethoxy]-2-phenylchromen-4-one	24203676	CHEMBL460520; NSC729141; NSC-729141	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729141	.	.	.	.	371.4	C23H17NO4	68.1	614	5.4	28	1	5	5	"InChI=1S/C23H17NO4/c25-21-18-13-7-8-14-20(18)28-22(17-11-5-2-6-12-17)23(21)27-15-19(24-26)16-9-3-1-4-10-16/h1-14,26H,15H2/b24-19-"	C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC/C(=N/O)/C4=CC=CC=C4	KPEWBHRDJZLSNX-CLCOLTQESA-N
DG65902	3-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one	24203678	CHEMBL516953; NSC729143; NSC-729143	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729143	.	.	.	.	401.4	C24H19NO5	77.4	659	5.4	30	1	6	6	"InChI=1S/C24H19NO5/c1-28-18-13-11-16(12-14-18)20(25-27)15-29-24-22(26)19-9-5-6-10-21(19)30-23(24)17-7-3-2-4-8-17/h2-14,27H,15H2,1H3/b25-20-"	COC1=CC=C(C=C1)/C(=N\\O)/COC2=C(OC3=CC=CC=C3C2=O)C4=CC=CC=C4	LCPAZPQJGMQMSF-QQTULTPQSA-N
DG65903	6-[(2E)-2-hydroxyiminopropoxy]-2-phenylchromen-4-one	24203679	CHEMBL462637; NSC729144; NSC-729144	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729144	.	.	.	.	309.3	C18H15NO4	68.1	493	4	23	1	5	4	"InChI=1S/C18H15NO4/c1-12(19-21)11-22-14-7-8-17-15(9-14)16(20)10-18(23-17)13-5-3-2-4-6-13/h2-10,21H,11H2,1H3/b19-12+"	C/C(=N\\O)/COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3	FGHPWYWFVQUZPC-XDHOZWIPSA-N
DG65904	6-[(2E)-2-(4-fluorophenyl)-2-hydroxyiminoethoxy]-2-phenylchromen-4-one	24203680	CHEMBL472706; NSC729146; NSC-729146	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729146	.	.	.	.	389.4	C23H16FNO4	68.1	635	5.7	29	1	6	5	"InChI=1S/C23H16FNO4/c24-17-8-6-15(7-9-17)20(25-27)14-28-18-10-11-22-19(12-18)21(26)13-23(29-22)16-4-2-1-3-5-16/h1-13,27H,14H2/b25-20-"	C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)OC/C(=N/O)/C4=CC=C(C=C4)F	UCYIEEBWOXKTDZ-QQTULTPQSA-N
DG65905	"6-[(Z)-hydrazinylidenemethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one"	24203689	NSC729156; NSC-729156	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729156	.	.	.	.	277.28	C16H11N3O2	67.9	514	2	21	1	4	1	"InChI=1S/C16H11N3O2/c17-18-9-12-10-5-1-2-6-11(10)15(20)19-13-7-3-4-8-14(13)21-16(12)19/h1-9H,17H2/b18-9-"	C1=CC=C2C(=C1)C(=C3N(C2=O)C4=CC=CC=C4O3)/C=N\\N	UBFYCYWUQUHNNF-NVMNQCDNSA-N
DG65906	"6-[(Z)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one"	24203690	NSC729157; NSC-729157	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729157	.	.	.	.	345.4	C19H15N5O2	78.3	685	1.4	26	2	4	3	"InChI=1S/C19H15N5O2/c25-17-13-6-2-1-5-12(13)14(11-22-23-19-20-9-10-21-19)18-24(17)15-7-3-4-8-16(15)26-18/h1-8,11H,9-10H2,(H2,20,21,23)/b22-11-"	C1CN=C(N1)N/N=C\\C2=C3N(C4=CC=CC=C4O3)C(=O)C5=CC=CC=C52	CWRBEYUWBTVLJE-JJFYIABZSA-N
DG65907	N'-cycloheptyl-4-[4-[4-(N'-cycloheptylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride	24203696	NSC729164; NSC-729164	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729164	.	.	.	.	551.2	C32H47ClN6	83.2	676	.	39	3	4	6	"InChI=1S/C32H46N6.ClH/c33-31(35-27-9-5-1-2-6-10-27)25-13-17-29(18-14-25)37-21-23-38(24-22-37)30-19-15-26(16-20-30)32(34)36-28-11-7-3-4-8-12-28;/h13-20,27-28H,1-12,21-24H2,(H2,33,35)(H2,34,36);1H"	C1CCCC(CC1)N=C(C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C(=NC5CCCCCC5)N)N.Cl	OJCVNSPPFQMPMW-UHFFFAOYSA-N
DG65908	N'-octyl-4-[4-[4-(N'-octylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride	24203697	NSC729165; NSC-729165	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729165	.	.	.	.	583.3	C34H55ClN6	83.2	637	.	41	3	4	18	"InChI=1S/C34H54N6.ClH/c1-3-5-7-9-11-13-23-37-33(35)29-15-19-31(20-16-29)39-25-27-40(28-26-39)32-21-17-30(18-22-32)34(36)38-24-14-12-10-8-6-4-2;/h15-22H,3-14,23-28H2,1-2H3,(H2,35,37)(H2,36,38);1H"	CCCCCCCCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCCCCCCC)N)N.Cl	XOTCJTCWGZKLRG-UHFFFAOYSA-N
DG65909	N'-decyl-4-[4-[4-(N'-decylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride	24203698	NSC729166; NSC-729166	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729166	.	.	.	.	639.4	C38H63ClN6	83.2	693	.	45	3	4	22	"InChI=1S/C38H62N6.ClH/c1-3-5-7-9-11-13-15-17-27-41-37(39)33-19-23-35(24-20-33)43-29-31-44(32-30-43)36-25-21-34(22-26-36)38(40)42-28-18-16-14-12-10-8-6-4-2;/h19-26H,3-18,27-32H2,1-2H3,(H2,39,41)(H2,40,42);1H"	CCCCCCCCCCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCCCCCCCCC)N)N.Cl	LYLJINVMDWJQIM-UHFFFAOYSA-N
DG65910	N'-heptyl-4-[4-[4-(N'-heptylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride	24203700	NSC729168; NSC-729168	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729168	.	.	.	.	555.2	C32H51ClN6	83.2	609	.	39	3	4	16	"InChI=1S/C32H50N6.ClH/c1-3-5-7-9-11-21-35-31(33)27-13-17-29(18-14-27)37-23-25-38(26-24-37)30-19-15-28(16-20-30)32(34)36-22-12-10-8-6-4-2;/h13-20H,3-12,21-26H2,1-2H3,(H2,33,35)(H2,34,36);1H"	CCCCCCCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCCCCCC)N)N.Cl	HBNMZKAFRGCBQR-UHFFFAOYSA-N
DG65911	N'-cyclooctyl-4-[4-[4-(N'-cyclooctylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride	24203701	NSC729169; NSC-729169	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729169	.	.	.	.	579.3	C34H51ClN6	83.2	704	.	41	3	4	6	"InChI=1S/C34H50N6.ClH/c35-33(37-29-11-7-3-1-4-8-12-29)27-15-19-31(20-16-27)39-23-25-40(26-24-39)32-21-17-28(18-22-32)34(36)38-30-13-9-5-2-6-10-14-30;/h15-22,29-30H,1-14,23-26H2,(H2,35,37)(H2,36,38);1H"	C1CCCC(CCC1)N=C(C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C(=NC5CCCCCCC5)N)N.Cl	UJROTHOAEMBEOB-UHFFFAOYSA-N
DG65912	N'-(3-methylbutyl)-4-[4-[4-[N'-(3-methylbutyl)carbamimidoyl]phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride	24203702	NSC729170; NSC-729170	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729170	.	.	.	.	499.1	C28H43ClN6	83.2	577	.	35	3	4	10	"InChI=1S/C28H42N6.ClH/c1-21(2)13-15-31-27(29)23-5-9-25(10-6-23)33-17-19-34(20-18-33)26-11-7-24(8-12-26)28(30)32-16-14-22(3)4;/h5-12,21-22H,13-20H2,1-4H3,(H2,29,31)(H2,30,32);1H"	CC(C)CCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCC(C)C)N)N.Cl	FSIDJGTTXNRQGA-UHFFFAOYSA-N
DG65913	N'-dodecyl-4-[4-[4-(N'-dodecylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride	24203703	NSC729171; NSC-729171	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729171	.	.	.	.	695.5	C42H71ClN6	83.2	750	.	49	3	4	26	"InChI=1S/C42H70N6.ClH/c1-3-5-7-9-11-13-15-17-19-21-31-45-41(43)37-23-27-39(28-24-37)47-33-35-48(36-34-47)40-29-25-38(26-30-40)42(44)46-32-22-20-18-16-14-12-10-8-6-4-2;/h23-30H,3-22,31-36H2,1-2H3,(H2,43,45)(H2,44,46);1H"	CCCCCCCCCCCCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCCCCCCCCCCC)N)N.Cl	MLMOUIILOYIQGU-UHFFFAOYSA-N
DG65914	N'-(2-methylbutyl)-4-[4-[4-[N'-(2-methylbutyl)carbamimidoyl]phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride	24203704	NSC729172; NSC-729172	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729172	.	.	.	.	499.1	C28H43ClN6	83.2	581	.	35	3	4	10	"InChI=1S/C28H42N6.ClH/c1-5-21(3)19-31-27(29)23-7-11-25(12-8-23)33-15-17-34(18-16-33)26-13-9-24(10-14-26)28(30)32-20-22(4)6-2;/h7-14,21-22H,5-6,15-20H2,1-4H3,(H2,29,31)(H2,30,32);1H"	CCC(C)CN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCC(C)CC)N)N.Cl	OJVLELGNLAVXEN-UHFFFAOYSA-N
DG65915	1-[7-Methyl-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]propan-1-one	24203707	NSC729179; NSC-729179	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729179	.	.	.	.	300.23	C13H11F3N2O3	63.4	501	1.6	21	0	7	2	"InChI=1S/C13H11F3N2O3/c1-3-10(19)11-12(13(14,15)16)18(21)8-5-4-7(2)6-9(8)17(11)20/h4-6H,3H2,1-2H3"	CCC(=O)C1=C(N(C2=C([N+]1=O)C=C(C=C2)C)[O-])C(F)(F)F	UPPXQYINBFSWBA-UHFFFAOYSA-N
DG65916	"N-[(3Z)-5-Anilino-4-chloro-3H-1,2-dithiol-3-ylidene]-4-methy lbenzenesulfonamide"	24203709	"NSC729181; NSC-729181; N-[(3Z)-5-Anilino-4-chloro-3H-1,2-dithiol-3-ylidene]-4-methy lbenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729181	.	.	.	.	396.9	C16H13ClN2O2S3	118	614	4.9	24	1	6	4	"InChI=1S/C16H13ClN2O2S3/c1-11-7-9-13(10-8-11)24(20,21)19-16-14(17)15(22-23-16)18-12-5-3-2-4-6-12/h2-10,18H,1H3/b19-16-"	CC1=CC=C(C=C1)S(=O)(=O)/N=C\\2/C(=C(SS2)NC3=CC=CC=C3)Cl	HKCYAYAJQBWBOV-MNDPQUGUSA-N
DG65917	"Ethyl (3Z)-4,2-dithiol-3-ylidenecarbamate"	24203710	"NSC729186; NSC-729186; Ethyl (3Z)-4,2-dithiol-3-ylidenecarbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729186	.	.	.	.	258.1	C6H5Cl2NO2S2	89.3	290	3.1	13	0	4	2	"InChI=1S/C6H5Cl2NO2S2/c1-2-11-6(10)9-5-3(7)4(8)12-13-5/h2H2,1H3/b9-5-"	CCOC(=O)/N=C\\1/C(=C(SS1)Cl)Cl	VYCHFRGGTOXYKC-UITAMQMPSA-N
DG65918	"Dimethyl 2-{2-[(2-aminophenyl)thio]-1-chloro-2-thioxoethylidene}-1,5-dicarboxylate"	24203712	"NSC729190; NSC-729190; Dimethyl 2-{2-[(2-aminophenyl)thio]-1-chloro-2-thioxoethylidene}-1,5-dicarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729190	.	.	.	.	434	C15H12ClNO4S4	187	619	4.3	25	1	9	7	"InChI=1S/C15H12ClNO4S4/c1-20-12(18)10-11(13(19)21-2)25-15(24-10)9(16)14(22)23-8-6-4-3-5-7(8)17/h3-6H,17H2,1-2H3"	COC(=O)C1=C(SC(=C(C(=S)SC2=CC=CC=C2N)Cl)S1)C(=O)OC	KFXUBNKSUGHRQA-UHFFFAOYSA-N
DG65919	"2'-Benzyloxy-5,7,8-trimethoxyflavone"	24203714	"NSC729193; 2'-benzyloxy-5,7,8-trimethoxyflavone; NSC-729193"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729193	.	.	.	.	418.4	C25H22O6	63.2	628	4.6	31	0	6	7	"InChI=1S/C25H22O6/c1-27-21-14-22(28-2)24(29-3)25-23(21)18(26)13-20(31-25)17-11-7-8-12-19(17)30-15-16-9-5-4-6-10-16/h4-14H,15H2,1-3H3"	COC1=CC(=C(C2=C1C(=O)C=C(O2)C3=CC=CC=C3OCC4=CC=CC=C4)OC)OC	ZNKDXKFJMGWICD-UHFFFAOYSA-N
DG65920	"(2Z)-2-[4-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfanylimino-3-phenyl-1,3-thiazinan-5-one"	24203715	NSC729194; NSC-729194	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729194	.	.	.	.	496.7	C28H24N4OS2	101	779	6.5	35	0	5	4	"InChI=1S/C28H24N4OS2/c1-19-25-16-11-20-7-5-6-10-26(20)27(25)29-32(19)22-12-14-24(15-13-22)35-30-28-31(17-23(33)18-34-28)21-8-3-2-4-9-21/h2-10,12-15H,11,16-18H2,1H3/b30-28-"	CC1=C2CCC3=CC=CC=C3C2=NN1C4=CC=C(C=C4)S/N=C\\5/N(CC(=O)CS5)C6=CC=CC=C6	VPKKNGABQBXKLS-HYOGKJQXSA-N
DG65921	"(2Z)-3-benzyl-2-[4-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfanylimino-1,3-thiazinan-5-one"	24203716	NSC729195; NSC-729195	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729195	.	.	.	.	510.7	C29H26N4OS2	101	794	6.4	36	0	5	5	"InChI=1S/C29H26N4OS2/c1-20-26-16-11-22-9-5-6-10-27(22)28(26)30-33(20)23-12-14-25(15-13-23)36-31-29-32(18-24(34)19-35-29)17-21-7-3-2-4-8-21/h2-10,12-15H,11,16-19H2,1H3/b31-29-"	CC1=C2CCC3=CC=CC=C3C2=NN1C4=CC=C(C=C4)S/N=C\\5/N(CC(=O)CS5)CC6=CC=CC=C6	WIANQJGEMUEOFF-YCNYHXFESA-N
DG65922	"1-[4-(3-Methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfonyl-3-phenylthiourea"	24203721	NSC729200; NSC-729200	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729200	.	.	.	.	474.6	C25H22N4O2S2	117	787	5.5	33	2	4	4	"InChI=1S/C25H22N4O2S2/c1-17-22-16-11-18-7-5-6-10-23(18)24(22)27-29(17)20-12-14-21(15-13-20)33(30,31)28-25(32)26-19-8-3-2-4-9-19/h2-10,12-15H,11,16H2,1H3,(H2,26,28,32)"	CC1=C2CCC3=CC=CC=C3C2=NN1C4=CC=C(C=C4)S(=O)(=O)NC(=S)NC5=CC=CC=C5	KMLYNLXPQGJHFN-UHFFFAOYSA-N
DG65923	"N-[[4-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfonylcarbamothioyl]benzamide"	24203723	NSC729202; NSC-729202	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729202	.	.	.	.	502.6	C26H22N4O3S2	134	878	5.4	35	2	5	4	"InChI=1S/C26H22N4O3S2/c1-17-22-16-11-18-7-5-6-10-23(18)24(22)28-30(17)20-12-14-21(15-13-20)35(32,33)29-26(34)27-25(31)19-8-3-2-4-9-19/h2-10,12-15H,11,16H2,1H3,(H2,27,29,31,34)"	CC1=C2CCC3=CC=CC=C3C2=NN1C4=CC=C(C=C4)S(=O)(=O)NC(=S)NC(=O)C5=CC=CC=C5	SJRXKSWWHYZWHC-UHFFFAOYSA-N
DG65924	cis-3-O-p-hydroxycinnamoyl ursolic acid	24203732	331243-42-6; DTXSID80639812; NSC729211; NSC-729211; cis-3-O-p-hydroxycinnamoyl ursolic acid; Ursolic acid (cis-3-O-hydroxycinnamoyl-); 3beta-(4-Hydroxy-cis-cinnamoyloxy)urs-12-ene-28-oic acid; (3beta)-3-{[(2Z)-3-(4-Hydroxyphenyl)prop-2-enoyl]oxy}urs-12-en-28-oic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729211	.	.	.	.	602.8	C39H54O5	83.8	1210	9.6	44	2	5	5	"InChI=1S/C39H54O5/c1-24-16-21-39(34(42)43)23-22-37(6)28(33(39)25(24)2)13-14-30-36(5)19-18-31(35(3,4)29(36)17-20-38(30,37)7)44-32(41)15-10-26-8-11-27(40)12-9-26/h8-13,15,24-25,29-31,33,40H,14,16-23H2,1-7H3,(H,42,43)/b15-10-/t24-,25+,29+,30-,31+,33+,36+,37-,38-,39+/m1/s1"	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)/C=C\\C6=CC=C(C=C6)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O	ZOXDAGKKDOEJBW-HNPRZPGGSA-N
DG65925	"9-amino-7-(4-chlorophenyl)-2-fluoro-6H-benzo[c]chromene-8,10-dicarbonitrile"	24203752	NSC729305; NSC-729305	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729305	.	.	.	.	375.8	C21H11ClFN3O	82.8	648	4.8	27	1	5	1	"InChI=1S/C21H11ClFN3O/c22-12-3-1-11(2-4-12)19-15(8-24)21(26)16(9-25)20-14-7-13(23)5-6-18(14)27-10-17(19)20/h1-7H,10,26H2"	C1C2=C(C(=C(C(=C2C3=C(O1)C=CC(=C3)F)C#N)N)C#N)C4=CC=C(C=C4)Cl	JLPSJOTVDJEZQM-UHFFFAOYSA-N
DG65926	NSC729470	24203773	"(13S,17S)-17-[2-[4-[(Z)-6-(2-aminophenyl)hex-3-en-1,5-diynyl]phenyl]ethynyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol; NSC729470; NSC-729470"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729470	.	.	.	.	537.7	C38H35NO2	66.5	1190	7.8	41	3	3	4	"InChI=1S/C38H35NO2/c1-37-23-21-33-32-19-17-31(40)26-30(32)16-18-34(33)35(37)22-25-38(37,41)24-20-28-14-12-27(13-15-28)8-4-2-3-5-9-29-10-6-7-11-36(29)39/h2-3,6-7,10-15,17,19,26,33-35,40-41H,16,18,21-23,25,39H2,1H3/b3-2-/t33 ,34 ,35 ,37-,38-/m0/s1"	C[C@]12CCC3C(C1CC[C@]2(C#CC4=CC=C(C=C4)C#C/C=C\\C#CC5=CC=CC=C5N)O)CCC6=C3C=CC(=C6)O	PXSFENQINMHMIC-LTDKXCTPSA-N
DG65927	"4-(3-chlorophenyl)-N-(3,4-dichlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide"	24203775	NSC729476; NSC-729476	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729476	.	.	.	.	426.7	C18H14Cl3N3OS	85.2	600	4.5	26	3	2	3	"InChI=1S/C18H14Cl3N3OS/c1-9-15(17(25)23-12-5-6-13(20)14(21)8-12)16(24-18(26)22-9)10-3-2-4-11(19)7-10/h2-8,16H,1H3,(H,23,25)(H2,22,24,26)"	CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)Cl)C(=O)NC3=CC(=C(C=C3)Cl)Cl	JLNLXMDMJCOELG-UHFFFAOYSA-N
DG65928	2-[(3-Benzoyl-2-sulfanylideneimidazolidin-1-yl)methylidene]propanedinitrile	24203785	CHEMBL511496; NSC729517; NSC-729517	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729517	.	.	.	.	282.32	C14H10N4OS	103	526	1.3	20	0	4	2	"InChI=1S/C14H10N4OS/c15-8-11(9-16)10-17-6-7-18(14(17)20)13(19)12-4-2-1-3-5-12/h1-5,10H,6-7H2"	C1CN(C(=S)N1C=C(C#N)C#N)C(=O)C2=CC=CC=C2	XGOZXIBAXJYORL-UHFFFAOYSA-N
DG65929	methyl (Z)-2-cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enoate	24203786	NSC729518; NSC-729518	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729518	.	.	.	.	305.31	C13H11N3O4S	119	551	0.9	21	0	6	4	"InChI=1S/C13H11N3O4S/c1-19-12(18)9(7-14)8-15-4-5-16(13(15)21)11(17)10-3-2-6-20-10/h2-3,6,8H,4-5H2,1H3/b9-8-"	COC(=O)/C(=C\\N1CCN(C1=S)C(=O)C2=CC=CO2)/C#N	IOBKECCKVFEPRK-HJWRWDBZSA-N
DG65930	"3-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]pentane-2,4-dione"	24203787	CHEMBL472614; NSC729519; NSC-729519	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729519	.	.	.	.	306.34	C14H14N2O4S	103	513	0.7	21	0	5	4	"InChI=1S/C14H14N2O4S/c1-9(17)11(10(2)18)8-15-5-6-16(14(15)21)13(19)12-4-3-7-20-12/h3-4,7-8H,5-6H2,1-2H3"	CC(=O)C(=CN1CCN(C1=S)C(=O)C2=CC=CO2)C(=O)C	MQOOWTQPTCJGRV-UHFFFAOYSA-N
DG65931	2-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]propanedinitrile	24203788	CHEMBL504862; NSC729520; NSC-729520	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729520	.	.	.	.	272.28	C12H8N4O2S	116	520	0.7	19	0	5	2	"InChI=1S/C12H8N4O2S/c13-6-9(7-14)8-15-3-4-16(12(15)19)11(17)10-2-1-5-18-10/h1-2,5,8H,3-4H2"	C1CN(C(=S)N1C=C(C#N)C#N)C(=O)C2=CC=CO2	CLGWIGVBGZMMMS-UHFFFAOYSA-N
DG65932	(Z)-2-benzoyl-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enenitrile	24203789	NSC729521; NSC-729521	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729521	.	.	.	.	351.4	C18H13N3O3S	110	645	2.4	25	0	5	4	"InChI=1S/C18H13N3O3S/c19-11-14(16(22)13-5-2-1-3-6-13)12-20-8-9-21(18(20)25)17(23)15-7-4-10-24-15/h1-7,10,12H,8-9H2/b14-12-"	C1CN(C(=S)N1/C=C(/C#N)\\C(=O)C2=CC=CC=C2)C(=O)C3=CC=CO3	OEMRYFFWEDEBOW-OWBHPGMISA-N
DG65933	ethyl (E)-2-benzoyl-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enoate	24203790	CHEMBL513219; NSC729522; NSC-729522	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729522	.	.	.	.	398.4	C20H18N2O5S	112	672	2.9	28	0	6	7	"InChI=1S/C20H18N2O5S/c1-2-26-19(25)15(17(23)14-7-4-3-5-8-14)13-21-10-11-22(20(21)28)18(24)16-9-6-12-27-16/h3-9,12-13H,2,10-11H2,1H3/b15-13+"	CCOC(=O)/C(=C/N1CCN(C1=S)C(=O)C2=CC=CO2)/C(=O)C3=CC=CC=C3	GQTQCVIZIBBRGW-FYWRMAATSA-N
DG65934	"(2Z)-2-[[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-1-phenylbutane-1,3-dione"	24203791	CHEMBL515702; NSC729523; NSC-729523	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729523	.	.	.	.	368.4	C19H16N2O4S	103	640	2.3	26	0	5	5	"InChI=1S/C19H16N2O4S/c1-13(22)15(17(23)14-6-3-2-4-7-14)12-20-9-10-21(19(20)26)18(24)16-8-5-11-25-16/h2-8,11-12H,9-10H2,1H3/b15-12-"	CC(=O)/C(=C/N1CCN(C1=S)C(=O)C2=CC=CO2)/C(=O)C3=CC=CC=C3	WXWUCBCHDJBFOS-QINSGFPZSA-N
DG65935	(Z)-N-(4-chlorophenyl)-2-cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enamide	24203792	NSC729524; NSC-729524	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729524	.	.	.	.	400.8	C18H13ClN4O3S	122	696	3	27	1	5	4	"InChI=1S/C18H13ClN4O3S/c19-13-3-5-14(6-4-13)21-16(24)12(10-20)11-22-7-8-23(18(22)27)17(25)15-2-1-9-26-15/h1-6,9,11H,7-8H2,(H,21,24)/b12-11-"	C1CN(C(=S)N1/C=C(/C#N)\\C(=O)NC2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3	XOEBLQNXRXTYEU-QXMHVHEDSA-N
DG65936	(Z)-2-cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enamide	24203793	NSC729525; NSC-729525	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729525	.	.	.	.	290.3	C12H10N4O3S	136	536	-0.1	20	1	5	3	"InChI=1S/C12H10N4O3S/c13-6-8(10(14)17)7-15-3-4-16(12(15)20)11(18)9-2-1-5-19-9/h1-2,5,7H,3-4H2,(H2,14,17)/b8-7-"	C1CN(C(=S)N1/C=C(/C#N)\\C(=O)N)C(=O)C2=CC=CO2	RBYJODBJASYLSV-FPLPWBNLSA-N
DG65937	"2-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-1,3-diphenylpropane-1,3-dione"	24203794	CHEMBL470723; NSC729526; NSC-729526	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729526	.	.	.	.	430.5	C24H18N2O4S	103	721	4	31	0	5	6	"InChI=1S/C24H18N2O4S/c27-21(17-8-3-1-4-9-17)19(22(28)18-10-5-2-6-11-18)16-25-13-14-26(24(25)31)23(29)20-12-7-15-30-20/h1-12,15-16H,13-14H2"	C1CN(C(=S)N1C=C(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CO4	WAAOKSVZOBDCTF-UHFFFAOYSA-N
DG65938	methyl (2E)-2-[[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-3-oxobutanoate	24203795	NSC729527; NSC-729527	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729527	.	.	.	.	322.34	C14H14N2O5S	112	545	0.8	22	0	6	5	"InChI=1S/C14H14N2O5S/c1-9(17)10(13(19)20-2)8-15-5-6-16(14(15)22)12(18)11-4-3-7-21-11/h3-4,7-8H,5-6H2,1-2H3/b10-8+"	CC(=O)/C(=C\\N1CCN(C1=S)C(=O)C2=CC=CO2)/C(=O)OC	CVNBWTYCCZPDJH-CSKARUKUSA-N
DG65939	"N-[2-(dimethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide"	24203799	NSC729604; NSC-729604	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729604	.	.	.	.	349.4	C20H19N3O3	61.9	603	2.2	26	1	4	4	"InChI=1S/C20H19N3O3/c1-22(2)10-9-21-19(24)14-7-8-16-17(11-14)26-18-12-13-5-3-4-6-15(13)20(25)23(16)18/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)"	CN(C)CCNC(=O)C1=CC2=C(C=C1)N3C(=CC4=CC=CC=C4C3=O)O2	FTAKZLTUYWFDOU-UHFFFAOYSA-N
DG65940	"N-[2-(2-hydroxyethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide"	24203801	NSC729606; NSC-729606	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729606	.	.	.	.	365.4	C20H19N3O4	90.9	608	1.1	27	3	5	6	"InChI=1S/C20H19N3O4/c24-10-9-21-7-8-22-19(25)14-5-6-16-17(11-14)27-18-12-13-3-1-2-4-15(13)20(26)23(16)18/h1-6,11-12,21,24H,7-10H2,(H,22,25)"	C1=CC=C2C(=C1)C=C3N(C2=O)C4=C(O3)C=C(C=C4)C(=O)NCCNCCO	YOXPEXDWXAKPDW-UHFFFAOYSA-N
DG65941	"N-[2-(dimethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-2-carboxamide"	24203802	NSC729607; NSC-729607	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729607	.	.	.	.	349.4	C20H19N3O3	61.9	603	2.2	26	1	4	4	"InChI=1S/C20H19N3O3/c1-22(2)10-9-21-19(24)14-7-8-17-16(11-14)23-18(26-17)12-13-5-3-4-6-15(13)20(23)25/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)"	CN(C)CCNC(=O)C1=CC2=C(C=C1)OC3=CC4=CC=CC=C4C(=O)N32	HBDQAHHTOVIUBS-UHFFFAOYSA-N
DG65942	"6'-Amino-2'-thioxo-1',3,3'-tetrahydro-1H-spiro[benzothiaz ol-2,4'-pyrimidine]-1',5'-dicarbonitrile"	24203808	"NSC729613; NSC-729613; 6'-Amino-2'-thioxo-1',3,3'-tetrahydro-1H-spiro[benzothiaz ol-2,4'-pyrimidine]-1',5'-dicarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729613	.	.	.	.	299.4	C13H9N5S2	155	594	1.5	20	3	6	0	"InChI=1S/C13H9N5S2/c14-5-7-11(16)17-12(19)8(6-15)13(7)18-9-3-1-2-4-10(9)20-13/h1-4,8,18H,16H2,(H,17,19)"	C1=CC=C2C(=C1)NC3(S2)C(C(=S)NC(=C3C#N)N)C#N	ROXZUKCCBBZMKY-UHFFFAOYSA-N
DG65943	"6-Amino-2-piperdine-1-yl-3H,4'-pyridi ne)-3',5'-dicarbonitrile"	24203809	"NSC729614; NSC-729614; 6- Amino-2-piperdine-1-yl-3H,4'-pyridi ne)-3',5'-dicarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729614	.	.	.	.	350.4	C18H18N6S	127	718	2	25	2	6	1	"InChI=1S/C18H18N6S/c19-10-12-16(21)22-17(24-8-4-1-5-9-24)13(11-20)18(12)23-14-6-2-3-7-15(14)25-18/h2-3,6-7,13,23H,1,4-5,8-9,21H2"	C1CCN(CC1)C2=NC(=C(C3(C2C#N)NC4=CC=CC=C4S3)C#N)N	WTFJKUOGCYDHNJ-UHFFFAOYSA-N
DG65944	"N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(4-chlorophenyl)imidofo rmamide"	24203813	"NSC729672; NSC-729672; N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(4-chlorophenyl)imidofo rmamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729672	.	.	.	.	347.8	C20H14ClN3O	50.4	444	5.1	25	1	3	4	"InChI=1S/C20H14ClN3O/c21-15-7-11-17(12-8-15)23-13-22-16-9-5-14(6-10-16)20-24-18-3-1-2-4-19(18)25-20/h1-13H,(H,22,23)"	C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC=NC4=CC=C(C=C4)Cl	ADLRCJKUDSIDCU-UHFFFAOYSA-N
DG65945	"2-[4-(1,3-thiazol-4(5H)-one"	24203819	"NSC729677; 2-[4-(1,3-thiazol-4(5H)-one; NSC-729677"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729677	.	.	.	.	310.4	C16H10N2OS2	95.9	446	4.3	21	0	4	2	"InChI=1S/C16H10N2OS2/c19-14-9-20-15(18-14)10-5-7-11(8-6-10)16-17-12-3-1-2-4-13(12)21-16/h1-8H,9H2"	C1C(=O)N=C(S1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3	SZPBKBSUZUCSSV-UHFFFAOYSA-N
DG65946	"5'-Amino-1,2',3-tetrahydrospiro[benzimidazole-2,3'-pyrazo le]-4'-carbonitrile"	24203820	"NSC729678; NSC-729678; 5'-Amino-1,2',3-tetrahydrospiro[benzimidazole-2,3'-pyrazo le]-4'-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729678	.	.	.	.	214.23	C10H10N6	98.3	366	1.3	16	4	5	0	"InChI=1S/C10H10N6/c11-5-6-9(12)15-16-10(6)13-7-3-1-2-4-8(7)14-10/h1-4,6,13-14,16H,(H2,12,15)"	C1=CC=C2C(=C1)NC3(N2)C(C(=NN3)N)C#N	UKSKCCXBPLJTOH-UHFFFAOYSA-N
DG65947	"6'-Amino-2'-morpholin-4-yl-1'H,3-benzothiazole-2, 4'-pyrimidine]-1',5'-dicarbonitrile"	24203822	"NSC729680; NSC-729680; 6'-Amino-2'-morpholin-4-yl-1'H,3-benzothiazole-2, 4'-pyrimidine]-1',5'-dicarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729680	.	.	.	.	352.4	C17H16N6OS	136	724	0.8	25	2	7	1	"InChI=1S/C17H16N6OS/c18-9-11-15(20)21-16(23-5-7-24-8-6-23)12(10-19)17(11)22-13-3-1-2-4-14(13)25-17/h1-4,12,22H,5-8,20H2"	C1COCCN1C2=NC(=C(C3(C2C#N)NC4=CC=CC=C4S3)C#N)N	XSAIBKBTPGRANK-UHFFFAOYSA-N
DG65948	"4-Aryl-6-Methyl-2-thioxo-1,3,4-tetrahydro-pyrimidine-5-car boxylic acid (3,4-dichloro-phenyl)-amide"	24203839	"CHEMBL2261269; NSC729775; NSC-729775; 4-Aryl-6-Methyl-2-thioxo-1,3,4-tetrahydro-pyrimidine-5-car boxylic acid (3,4-dichloro-phenyl)-amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729775	.	.	.	.	422.3	C19H17Cl2N3O2S	94.5	616	3.8	27	3	3	4	"InChI=1S/C19H17Cl2N3O2S/c1-10-16(18(25)23-12-6-7-14(20)15(21)9-12)17(24-19(27)22-10)11-4-3-5-13(8-11)26-2/h3-9,17H,1-2H3,(H,23,25)(H2,22,24,27)"	CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC)C(=O)NC3=CC(=C(C=C3)Cl)Cl	JBWUQPZVHSZQCI-UHFFFAOYSA-N
DG65949	"N-(3-chloro-4-fluorophenyl)-4-(2-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide"	24203840	NSC729776; NSC-729776	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729776	.	.	.	.	391.8	C18H15ClFN3O2S	106	603	3	26	4	4	3	"InChI=1S/C18H15ClFN3O2S/c1-9-15(17(25)22-10-6-7-13(20)12(19)8-10)16(23-18(26)21-9)11-4-2-3-5-14(11)24/h2-8,16,24H,1H3,(H,22,25)(H2,21,23,26)"	CC1=C(C(NC(=S)N1)C2=CC=CC=C2O)C(=O)NC3=CC(=C(C=C3)F)Cl	OFAHDVOHZSYRGX-UHFFFAOYSA-N
DG65950	"4-(2-chlorophenyl)-N-(3,4-dichlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide"	24203841	CHEMBL2259654; NSC729777; NSC-729777	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729777	.	.	.	.	426.7	C18H14Cl3N3OS	85.2	600	4.5	26	3	2	3	"InChI=1S/C18H14Cl3N3OS/c1-9-15(17(25)23-10-6-7-13(20)14(21)8-10)16(24-18(26)22-9)11-4-2-3-5-12(11)19/h2-8,16H,1H3,(H,23,25)(H2,22,24,26)"	CC1=C(C(NC(=S)N1)C2=CC=CC=C2Cl)C(=O)NC3=CC(=C(C=C3)Cl)Cl	DVHVBKOTRHCVSK-UHFFFAOYSA-N
DG65951	"N-(3,4-dichlorophenyl)-6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide"	24203842	CHEMBL2261268; NSC729778; NSC-729778	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729778	.	.	.	.	484.4	C24H19Cl2N3O2S	94.5	728	5.4	32	3	3	5	"InChI=1S/C24H19Cl2N3O2S/c1-14-21(23(30)28-16-10-11-19(25)20(26)13-16)22(29-24(32)27-14)15-6-5-9-18(12-15)31-17-7-3-2-4-8-17/h2-13,22H,1H3,(H,28,30)(H2,27,29,32)"	CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)Cl	ORQHQFLFZFJGKY-UHFFFAOYSA-N
DG65952	N-[4-(1H-benzo[d]imidazol-2-yl)phenyl]-N'-(4-chlorophenyl)im idoformamide	24203851	NSC729792; NSC-729792; N-[4-(1H-benzo[d]imidazol-2-yl)phenyl]-N'-(4-chlorophenyl)im idoformamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729792	.	.	.	.	346.8	C20H15ClN4	53.1	441	4.9	25	2	2	4	"InChI=1S/C20H15ClN4/c21-15-7-11-17(12-8-15)23-13-22-16-9-5-14(6-10-16)20-24-18-3-1-2-4-19(18)25-20/h1-13H,(H,22,23)(H,24,25)"	C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC=NC4=CC=C(C=C4)Cl	DGZSCFNGLCMPPI-UHFFFAOYSA-N
DG65953	"3-Amino-5-{5-[4-(benzo[d]oxazol-2-yl)phenyl]furan-2-yl}-4,5-dihydro-1H-pyrazole-4-carbonitrile"	24203859	"NSC729801; NSC-729801; 3-Amino-5-{5-[4-(benzo[d]oxazol-2-yl)phenyl]furan-2-yl}-4,5- dihydro-1H-pyrazole-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729801	.	.	.	.	369.4	C21H15N5O2	113	652	3.6	28	2	6	3	"InChI=1S/C21H15N5O2/c22-11-14-19(25-26-20(14)23)18-10-9-16(27-18)12-5-7-13(8-6-12)21-24-15-3-1-2-4-17(15)28-21/h1-10,14,19,25H,(H2,23,26)"	C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C4=CC=C(O4)C5C(C(=NN5)N)C#N	YYAUCBMWLFUFCC-UHFFFAOYSA-N
DG65954	2-{4-[(1E)-3-pyridine-4-yltriaz-1-enyl]phenyl}-1H-benzimidaz ole	24203869	NSC729831; NSC-729831; 2-{4-[(1E)-3-pyridine-4-yltriaz-1-enyl]phenyl}-1H-benzimidaz ole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729831	.	.	.	.	314.3	C18H14N6	78.3	414	4.3	24	2	5	4	"InChI=1S/C18H14N6/c1-2-4-17-16(3-1)20-18(21-17)13-5-7-14(8-6-13)22-24-23-15-9-11-19-12-10-15/h1-12H,(H,20,21)(H,19,22,23)"	C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NN=NC4=CC=NC=C4	QGPPFPVSISOJET-UHFFFAOYSA-N
DG65955	2-{(2E)-3-[4-(1H-benzimidazol-2-yl)phenyl]-1-(2-hydroxyethyl)triaz-2-enyl}ethanol	24203870	NSC729832; NSC-729832; 2-{(2E)-3-[4-(1H-benzimidazol-2-yl)phenyl]-1-(2-hydroxyethyl )triaz-2-enyl}ethanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729832	.	.	.	.	325.4	C17H19N5O2	97.1	394	2.5	24	3	6	7	"InChI=1S/C17H19N5O2/c23-11-9-22(10-12-24)21-20-14-7-5-13(6-8-14)17-18-15-3-1-2-4-16(15)19-17/h1-8,23-24H,9-12H2,(H,18,19)"	C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=NN(CCO)CCO	CKDRTRDPEUFMOY-UHFFFAOYSA-N
DG65956	3-{(2E)-3-[4-(1H-benzimidazol-2-yl)phenyl]triaz-2-enyl}propa n-1-ol	24203876	NSC729838; NSC-729838; 3-{(2E)-3-[4-(1H-benzimidazol-2-yl)phenyl]triaz-2-enyl}propa n-1-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729838	.	.	.	.	295.34	C16H17N5O	85.7	356	3.3	22	3	5	6	"InChI=1S/C16H17N5O/c22-11-3-10-17-21-20-13-8-6-12(7-9-13)16-18-14-4-1-2-5-15(14)19-16/h1-2,4-9,22H,3,10-11H2,(H,17,20)(H,18,19)"	C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NN=NCCCO	SKXVQEGVHDSUBV-UHFFFAOYSA-N
DG65957	"(E)-3-(2,5-dimethoxyphenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one"	24203887	NSC729978; NSC-729978	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729978	.	.	.	.	348.4	C22H20O4	44.8	489	4.9	26	0	4	6	"InChI=1S/C22H20O4/c1-24-19-8-6-15-12-17(5-4-16(15)13-19)21(23)10-7-18-14-20(25-2)9-11-22(18)26-3/h4-14H,1-3H3/b10-7+"	COC1=CC2=C(C=C1)C=C(C=C2)C(=O)/C=C/C3=C(C=CC(=C3)OC)OC	ZMGNNUJRZMPNER-JXMROGBWSA-N
DG65958	"4,2-diyl}bi s[N-(2-aminophenyl)b enzamide]"	24203889	"NSC730006; NSC-730006; 4,2-diyl}bi s[N-(2-aminophenyl)b enzamide]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730006	.	.	.	.	630.8	C38H42N6O3	126	960	5.3	47	4	7	13	"InChI=1S/C38H42N6O3/c1-27(29-11-15-31(16-12-29)37(45)41-35-9-5-3-7-33(35)39)25-44(20-19-43-21-23-47-24-22-43)26-28(2)30-13-17-32(18-14-30)38(46)42-36-10-6-4-8-34(36)40/h3-18H,1-2,19-26,39-40H2,(H,41,45)(H,42,46)"	C=C(CN(CCN1CCOCC1)CC(=C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N	SZJXZAIAHBKAOO-UHFFFAOYSA-N
DG65959	"3-[2-[(Z)-6-(2-aminophenyl)hex-3-en-1,5-diynyl]phenyl]prop-2-yn-1-ol"	24203899	NSC730085; NSC-730085	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730085	.	.	.	.	297.3	C21H15NO	46.2	606	3.8	23	2	2	3	"InChI=1S/C21H15NO/c22-21-16-8-7-14-20(21)13-4-2-1-3-10-18-11-5-6-12-19(18)15-9-17-23/h1-2,5-8,11-12,14,16,23H,17,22H2/b2-1-"	C1=CC=C(C(=C1)C#CCO)C#C/C=C\\C#CC2=CC=CC=C2N	QRAVXZQSCXACBE-UPHRSURJSA-N
DG65960	3-(2-Oct-1-ynylphenyl)prop-2-yn-1-ol	24203903	NSC730089; NSC-730089	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730089	.	.	.	.	240.34	C17H20O	20.2	343	4.8	18	1	1	6	"InChI=1S/C17H20O/c1-2-3-4-5-6-7-11-16-12-8-9-13-17(16)14-10-15-18/h8-9,12-13,18H,2-6,15H2,1H3"	CCCCCCC#CC1=CC=CC=C1C#CCO	VCNKDVVNLXZTPI-UHFFFAOYSA-N
DG65961	"2-[(Z)-6-(2-nitrophenyl)hex-3-en-1,5-diynyl]aniline"	24203905	CHEMBL466150; NSC730091; NSC-730091	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730091	.	.	.	.	288.3	C18H12N2O2	71.8	549	4.1	22	1	3	2	"InChI=1S/C18H12N2O2/c19-17-13-7-5-10-15(17)9-3-1-2-4-11-16-12-6-8-14-18(16)20(21)22/h1-2,5-8,10,12-14H,19H2/b2-1-"	C1=CC=C(C(=C1)C#C/C=C\\C#CC2=CC=CC=C2[N+](=O)[O-])N	MINDMMVLVQSNEF-UPHRSURJSA-N
DG65962	"N-(4-fluorophenyl)furo[3,2-c]quinolin-4-amine"	24203907	NSC730137; NSC-730137	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730137	.	.	.	.	278.28	C17H11FN2O	38.1	359	4.6	21	1	4	2	"InChI=1S/C17H11FN2O/c18-11-5-7-12(8-6-11)19-17-14-9-10-21-16(14)13-3-1-2-4-15(13)20-17/h1-10H,(H,19,20)"	C1=CC=C2C(=C1)C3=C(C=CO3)C(=N2)NC4=CC=C(C=C4)F	DZHXRJANCHTFCG-UHFFFAOYSA-N
DG65963	"N-(4-chlorophenyl)furo[3,2-c]quinolin-4-amine"	24203908	NSC730138; NSC-730138	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730138	.	.	.	.	294.7	C17H11ClN2O	38.1	359	5.1	21	1	3	2	"InChI=1S/C17H11ClN2O/c18-11-5-7-12(8-6-11)19-17-14-9-10-21-16(14)13-3-1-2-4-15(13)20-17/h1-10H,(H,19,20)"	C1=CC=C2C(=C1)C3=C(C=CO3)C(=N2)NC4=CC=C(C=C4)Cl	MZTAZSNEQHBLOH-UHFFFAOYSA-N
DG65964	"N-(3-methoxyphenyl)furo[3,2-c]quinolin-4-amine"	24203912	NSC730142; NSC-730142	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730142	.	.	.	.	290.3	C18H14N2O2	47.3	378	4.4	22	1	4	3	"InChI=1S/C18H14N2O2/c1-21-13-6-4-5-12(11-13)19-18-15-9-10-22-17(15)14-7-2-3-8-16(14)20-18/h2-11H,1H3,(H,19,20)"	COC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4	ZXZKJIWJYQMQCJ-UHFFFAOYSA-N
DG65965	"N-(4-methoxyphenyl)furo[3,2-c]quinolin-4-amine"	24203913	NSC730143; NSC-730143	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730143	.	.	.	.	290.3	C18H14N2O2	47.3	370	4.4	22	1	4	3	"InChI=1S/C18H14N2O2/c1-21-13-8-6-12(7-9-13)19-18-15-10-11-22-17(15)14-4-2-3-5-16(14)20-18/h2-11H,1H3,(H,19,20)"	COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4	AFEOFLGKCMYRMC-UHFFFAOYSA-N
DG65966	"2-(Furo[3,2-c]quinolin-4-ylamino)phenol"	24203914	NSC730144; NSC-730144	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730144	.	.	.	.	276.29	C17H12N2O2	58.3	365	4.1	21	2	4	2	"InChI=1S/C17H12N2O2/c20-15-8-4-3-7-14(15)19-17-12-9-10-21-16(12)11-5-1-2-6-13(11)18-17/h1-10,20H,(H,18,19)"	C1=CC=C2C(=C1)C3=C(C=CO3)C(=N2)NC4=CC=CC=C4O	XZQAAUSZUZDCPU-UHFFFAOYSA-N
DG65967	"3-(Furo[3,2-c]quinolin-4-ylamino)phenol"	24203915	NSC730145; NSC-730145	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730145	.	.	.	.	276.29	C17H12N2O2	58.3	365	4.1	21	2	4	2	"InChI=1S/C17H12N2O2/c20-12-5-3-4-11(10-12)18-17-14-8-9-21-16(14)13-6-1-2-7-15(13)19-17/h1-10,20H,(H,18,19)"	C1=CC=C2C(=C1)C3=C(C=CO3)C(=N2)NC4=CC(=CC=C4)O	OEDYUOCSIFQNNH-UHFFFAOYSA-N
DG65968	"N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide"	24203929	CHEMBL2261263; NSC730188; NSC-730188	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730188	.	.	.	.	410.3	C18H14Cl2FN3OS	85.2	603	4	26	3	3	3	"InChI=1S/C18H14Cl2FN3OS/c1-9-15(17(25)23-12-5-6-14(21)13(20)8-12)16(24-18(26)22-9)10-3-2-4-11(19)7-10/h2-8,16H,1H3,(H,23,25)(H2,22,24,26)"	CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)Cl)C(=O)NC3=CC(=C(C=C3)F)Cl	MXWJTZYGVILJDJ-UHFFFAOYSA-N
DG65969	"(4E)-4-(1,3-benzothiazol-2-ylhydrazinylidene)-3-methyl-2-methylsulfanyl-2,3-dihydronaphthalen-1-one"	24203938	NSC730198; NSC-730198	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730198	.	.	.	.	367.5	C19H17N3OS2	108	541	5.4	25	1	6	3	"InChI=1S/C19H17N3OS2/c1-11-16(12-7-3-4-8-13(12)17(23)18(11)24-2)21-22-19-20-14-9-5-6-10-15(14)25-19/h3-11,18H,1-2H3,(H,20,22)/b21-16+"	CC\\1C(C(=O)C2=CC=CC=C2/C1=N/NC3=NC4=CC=CC=C4S3)SC	TXNPOUZYFIEATP-LTGZKZEYSA-N
DG65970	"4-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-2-amine"	24203947	NSC730246; NSC-730246	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730246	.	.	.	.	379.5	C20H17N3OS2	104	447	5.6	26	1	6	5	"InChI=1S/C20H17N3OS2/c1-13-21-19(11-25-13)15-4-3-5-16(10-15)22-20-23-18(12-26-20)14-6-8-17(24-2)9-7-14/h3-12H,1-2H3,(H,22,23)"	CC1=NC(=CS1)C2=CC(=CC=C2)NC3=NC(=CS3)C4=CC=C(C=C4)OC	SVVAQFGRWZBBFP-UHFFFAOYSA-N
DG65971	"4-(4-chlorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-2-amine"	24203948	NSC730247; NSC-730247	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730247	.	.	.	.	383.9	C19H14ClN3S2	94.3	433	6.2	25	1	5	4	"InChI=1S/C19H14ClN3S2/c1-12-21-18(10-24-12)14-3-2-4-16(9-14)22-19-23-17(11-25-19)13-5-7-15(20)8-6-13/h2-11H,1H3,(H,22,23)"	CC1=NC(=CS1)C2=CC(=CC=C2)NC3=NC(=CS3)C4=CC=C(C=C4)Cl	VKOSYNOOATZXNT-UHFFFAOYSA-N
DG65972	"N-[4-[2-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]-1,3-thiazol-4-yl]phenyl]acetamide"	24203951	NSC730254; NSC-730254	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730254	.	.	.	.	468.6	C26H20N4OS2	123	630	6	33	2	6	6	"InChI=1S/C26H20N4OS2/c1-17(31)27-21-11-7-19(8-12-21)24-16-33-26(30-24)28-22-13-9-18(10-14-22)23-15-32-25(29-23)20-5-3-2-4-6-20/h2-16H,1H3,(H,27,31)(H,28,30)"	CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)C4=CSC(=N4)C5=CC=CC=C5	AVOKQAKNAQDCEZ-UHFFFAOYSA-N
DG65973	"2-[(Z)-6-[2-(trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]aniline"	24203959	"CHEMBL466341; NSC730269; NSC-730269; 2-[(Z)-6-[2-(trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730269	.	.	.	.	311.3	C19H12F3N	26	549	5.2	23	1	4	2	"InChI=1S/C19H12F3N/c20-19(21,22)17-13-7-5-10-15(17)9-3-1-2-4-11-16-12-6-8-14-18(16)23/h1-2,5-8,10,12-14H,23H2/b2-1-"	C1=CC=C(C(=C1)C#C/C=C\\C#CC2=CC=CC=C2N)C(F)(F)F	RIVMZDYIDPOHHA-UPHRSURJSA-N
DG65974	"2-[(E)-(2-chloro-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	24203971	NSC730290; NSC-730290	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730290	.	.	.	.	356.2	C12H11Cl2N7S	135	428	.	22	3	5	3	"InChI=1S/C12H10ClN7S.ClH/c13-9-6-20-8(5-17-19-11(14)15)10(18-12(20)21-9)7-3-1-2-4-16-7;/h1-6H,(H4,14,15,19);1H/b17-5+;"	C1=CC=NC(=C1)C2=C(N3C=C(SC3=N2)Cl)/C=N/N=C(N)N.Cl	ZEEYQTYICXYHES-YAKHFBBESA-N
DG65975	(3E)-5-methoxy-3-(pyridin-4-ylmethylidene)-1H-indol-2-one	24203974	NSC730294; NSC-730294	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730294	.	.	.	.	252.27	C15H12N2O2	51.2	374	1.8	19	1	3	2	"InChI=1S/C15H12N2O2/c1-19-11-2-3-14-12(9-11)13(15(18)17-14)8-10-4-6-16-7-5-10/h2-9H,1H3,(H,17,18)/b13-8+"	COC1=CC\\2=C(C=C1)NC(=O)/C2=C/C3=CC=NC=C3	AXUOLMPHNRLWPJ-MDWZMJQESA-N
DG65976	(E)-N-(4-(Benzo[d]thiazol-2-yl)phenyl)-N'-(3-chlorophenyl)fo rmamidine	24203981	NSC730302; NSC-730302; (E)-N-(4-(Benzo[d]thiazol-2-yl)phenyl)-N'-(3-chlorophenyl)fo rmamidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730302	.	.	.	.	363.9	C20H14ClN3S	65.5	452	5.9	25	1	3	4	"InChI=1S/C20H14ClN3S/c21-15-4-3-5-17(12-15)23-13-22-16-10-8-14(9-11-16)20-24-18-6-1-2-7-19(18)25-20/h1-13H,(H,22,23)"	C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N=CNC4=CC(=CC=C4)Cl	AYZQBKMWBXRWCW-UHFFFAOYSA-N
DG65977	"5'-Amino-2',3-benzothiazole-2,3'-pyraz ole]-4'-carbonitrile"	24203986	"NSC730307; NSC-730307; 5'-Amino-2',3-benzothiazole-2,3'-pyraz ole]-4'-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730307	.	.	.	.	231.28	C10H9N5S	112	386	1.8	16	3	5	0	"InChI=1S/C10H9N5S/c11-5-6-9(12)14-15-10(6)13-7-3-1-2-4-8(7)16-10/h1-4,6,13,15H,(H2,12,14)"	C1=CC=C2C(=C1)NC3(S2)C(C(=NN3)N)C#N	XBUYYQZXMFESAO-UHFFFAOYSA-N
DG65978	"4-(Dimethylamino)benzaldehyde[4-(1,3-benzimidazol-2-yl)pheny l]hydrazone"	24204003	"NSC730323; NSC-730323; 4-(Dimethylamino)benzaldehyde[4-(1,3-benzimidazol-2-yl)pheny l]hydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730323	.	.	.	.	355.4	C22H21N5	56.3	477	5	27	2	4	5	"InChI=1S/C22H21N5/c1-27(2)19-13-7-16(8-14-19)15-23-26-18-11-9-17(10-12-18)22-24-20-5-3-4-6-21(20)25-22/h3-15,26H,1-2H3,(H,24,25)/b23-15+"	CN(C)C1=CC=C(C=C1)/C=N/NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3	YKPKFFYRXFABPY-HZHRSRAPSA-N
DG65979	"2-amino-1-[(E)-[6-(4-chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	24204006	NSC-730326; NSC730326	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730326	.	.	.	.	429.3	C14H14Cl2N8O2S	180	588	.	27	4	7	4	"InChI=1S/C14H13ClN8O2S.ClH/c1-7-6-22-11(5-18-21-13(16)20-17)12(19-14(22)26-7)8-2-3-9(15)10(4-8)23(24)25;/h2-6H,17H2,1H3,(H3,16,20,21);1H/b18-5+;"	CC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/C=N/N/C(=N\\N)/N.Cl	ZSCXJKTXFRSPRT-RZFZGDDESA-N
DG65980	NSC730327	24204008	"N-[(E)-[6-(4-chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide; NSC-730327; NSC730327"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730327	.	.	.	.	484.8	C16H15BrClN7O2S	140	630	.	28	3	6	4	"InChI=1S/C16H14ClN7O2S.BrH/c1-9-8-23-13(7-20-22-15-18-4-5-19-15)14(21-16(23)27-9)10-2-3-11(17)12(6-10)24(25)26;/h2-3,6-8H,4-5H2,1H3,(H2,18,19,22);1H/b20-7+;"	CC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/C=N/NC4=NCCN4.Br	NRPMDCPOMLBRHB-YYJLQXKGSA-N
DG65981	"N-[(E)-[6-(4-chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]pyridin-2-amine;hydrochloride"	24204010	NSC730328; NSC-730328	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730328	.	.	.	.	449.3	C18H14Cl2N6O2S	129	593	.	29	2	7	4	"InChI=1S/C18H13ClN6O2S.ClH/c1-11-10-24-15(9-21-23-16-4-2-3-7-20-16)17(22-18(24)28-11)12-5-6-13(19)14(8-12)25(26)27;/h2-10H,1H3,(H,20,23);1H/b21-9+;"	CC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/C=N/NC4=CC=CC=N4.Cl	OGZIGVKEDRSEPW-CSFJJMQLSA-N
DG65982	16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-3b-py rrolidino-5-androsten-17b-YL acetate	24204019	NSC730460; NSC-730460; 16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-3b-py rrolidino-5-androsten-17b-YL acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730460	.	.	.	.	627.9	C39H53N3O4	65.8	1150	6.4	46	0	6	10	"InChI=1S/C39H53N3O4/c1-27(43)46-37-29(22-28-8-11-35(36(23-28)44-4)45-21-7-17-41-20-16-40-26-41)24-34-32-10-9-30-25-31(42-18-5-6-19-42)12-14-38(30,2)33(32)13-15-39(34,37)3/h8-9,11,16,20,22-23,26,31-34,37H,5-7,10,12-15,17-19,21,24-25H2,1-4H3/b29-22+/t31-,32 ,33 ,34 ,37-,38-,39-/m0/s1"	CC(=O)O[C@H]1/C(=C/C2=CC(=C(C=C2)OCCCN3C=CN=C3)OC)/CC4[C@@]1(CCC5C4CC=C6[C@@]5(CC[C@@H](C6)N7CCCC7)C)C	ZKZZQKXLQROTGA-DYFGQVMESA-N
DG65983	16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-17-ox o-5-androsten-3b-yl acetate	24204020	NSC730461; NSC-730461; 16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-17-ox o-5-androsten-3b-yl acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730461	.	.	.	.	572.7	C35H44N2O5	79.6	1090	5.7	42	0	6	9	"InChI=1S/C35H44N2O5/c1-23(38)42-27-10-12-34(2)26(21-27)7-8-28-29(34)11-13-35(3)30(28)20-25(33(35)39)18-24-6-9-31(32(19-24)40-4)41-17-5-15-37-16-14-36-22-37/h6-7,9,14,16,18-19,22,27-30H,5,8,10-13,15,17,20-21H2,1-4H3/b25-18+/t27-,28 ,29 ,30 ,34-,35-/m0/s1"	CC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)C/C(=C\\C5=CC(=C(C=C5)OCCCN6C=CN=C6)OC)/C4=O)C)C	KQUBHKVGWVYYJA-IPSKMFDYSA-N
DG65984	"16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-5-androstene-3b,17b-diol diacetate"	24204032	"NSC730473; NSC-730473; 16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-5-androstene-3b,17b-diol diacetate; 16-[3-Methoxy-4-(2-piperidinoethoxy)benzylidene]androsta-5-ene-3beta,17beta-diol diacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730473	.	.	.	.	619.8	C38H53NO6	74.3	1140	6.6	45	0	7	10	"InChI=1S/C38H53NO6/c1-25(40)44-30-13-15-37(3)29(24-30)10-11-31-32(37)14-16-38(4)33(31)23-28(36(38)45-26(2)41)21-27-9-12-34(35(22-27)42-5)43-20-19-39-17-7-6-8-18-39/h9-10,12,21-22,30-33,36H,6-8,11,13-20,23-24H2,1-5H3/b28-21+/t30-,31+,32-,33-,36-,37-,38-/m0/s1"	CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)C/C(=C\\C5=CC(=C(C=C5)OCCN6CCCCC6)OC)/[C@@H]4OC(=O)C)C)C	HKRGOGAJVBWURS-YWVWQYHSSA-N
DG65985	"16-[4-(2-Diethylaminoethoxy)3-methoxy benzylidene]-3a-pyrrolidino-5-androsten-3b,17b-diol"	24204033	"NSC730474; NSC-730474; 16-[4-(2-diethylaminoethoxy)3-methoxy benzylidene]-3a-pyrrolidino-5-androsten-3b,17b-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730474	.	.	.	.	523.7	C33H49NO4	62.2	882	5.4	38	2	5	8	"InChI=1S/C33H49NO4/c1-6-34(7-2)16-17-38-29-11-8-22(19-30(29)37-5)18-23-20-28-26-10-9-24-21-25(35)12-14-32(24,3)27(26)13-15-33(28,4)31(23)36/h8-9,11,18-19,25-28,31,35-36H,6-7,10,12-17,20-21H2,1-5H3/b23-18+/t25-,26-,27-,28-,31-,32-,33-/m0/s1"	CCN(CC)CCOC1=C(C=C(C=C1)/C=C/2\\C[C@H]3[C@H]4CC=C5C[C@H](CC[C@@]5([C@H]4CC[C@@]3([C@H]2O)C)C)O)OC	XZZYPRJIOYWVHG-HBGNFOAYSA-N
DG65986	"16-[3-Methoxy-4-[2-(diethylamino)ethoxy]benzylidene]androsta-5-ene-3beta,17beta-diol diacetate"	24204034	"NSC730475; NSC-730475; 16-[3-Methoxy-4-[2-(diethylamino)ethoxy]benzylidene]androsta-5-ene-3beta,17beta-diol diacetate; 16-[4-(2-diethylaminoethoxy)3-methoxy benzylidene]-3a-pyrrolidino-5-androsten-3b,17b-diol diacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730475	.	.	.	.	607.8	C37H53NO6	74.3	1100	6.5	44	0	7	12	"InChI=1S/C37H53NO6/c1-8-38(9-2)18-19-42-33-13-10-26(21-34(33)41-7)20-27-22-32-30-12-11-28-23-29(43-24(3)39)14-16-36(28,5)31(30)15-17-37(32,6)35(27)44-25(4)40/h10-11,13,20-21,29-32,35H,8-9,12,14-19,22-23H2,1-7H3/b27-20+/t29-,30+,31-,32-,35-,36-,37-/m0/s1"	CCN(CC)CCOC1=C(C=C(C=C1)/C=C/2\\C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@@]5([C@H]4CC[C@@]3([C@H]2OC(=O)C)C)C)OC(=O)C)OC	RWOVVSIYUZJNGX-QAUQPLIHSA-N
DG65987	"16-[3-Methoxy-4-(2-pyrrolidin-1-yl ethoxy)benzylidene]-5-androsten-3beta,17beta-diol"	24204035	"NSC730476; NSC-730476; 16-[3-Methoxy-4-(2-pyrrolidin-1-yl ethoxy)benzylidene]-5-androsten-3.beta.,17.beta.-diol; 16-[3-Methoxy-4-(2-pyrrolizinoethoxy)benzylidene]androsta-5-ene-3beta,17beta-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730476	.	.	.	.	521.7	C33H47NO4	62.2	911	5.1	38	2	5	6	"InChI=1S/C33H47NO4/c1-32-12-10-25(35)21-24(32)7-8-26-27(32)11-13-33(2)28(26)20-23(31(33)36)18-22-6-9-29(30(19-22)37-3)38-17-16-34-14-4-5-15-34/h6-7,9,18-19,25-28,31,35-36H,4-5,8,10-17,20-21H2,1-3H3/b23-18+/t25-,26+,27-,28-,31-,32-,33-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\\C5=CC(=C(C=C5)OCCN6CCCC6)OC)/[C@@H]4O)C)O	VCLDMHVVXPBUSD-JLTJRFMRSA-N
DG65988	"16-[3-Methoxy-4-(2-pyrrolidin-1-yl ethoxy)benzylidene]-5-androsten-3beta,17beta-diol diacetate"	24204036	"NSC730477; NSC-730477; 16-[3-Methoxy-4-(2-pyrrolidin-1-yl ethoxy)benzylidene]-5-androsten-3.beta.,17.beta.-diol diacetate; 16-[3-Methoxy-4-(2-pyrrolizinoethoxy)benzylidene]androsta-5-ene-3beta,17beta-diol diacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730477	.	.	.	.	605.8	C37H51NO6	74.3	1130	6.3	44	0	7	10	"InChI=1S/C37H51NO6/c1-24(39)43-29-12-14-36(3)28(23-29)9-10-30-31(36)13-15-37(4)32(30)22-27(35(37)44-25(2)40)20-26-8-11-33(34(21-26)41-5)42-19-18-38-16-6-7-17-38/h8-9,11,20-21,29-32,35H,6-7,10,12-19,22-23H2,1-5H3/b27-20+/t29-,30+,31-,32-,35-,36-,37-/m0/s1"	CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)C/C(=C\\C5=CC(=C(C=C5)OCCN6CCCC6)OC)/[C@@H]4OC(=O)C)C)C	FBOZIATXMZJQOG-QAUQPLIHSA-N
DG65989	"16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-5-androsten-3beta,17beta-diol"	24204037	"CHEMBL3623212; NSC730478; NSC-730478; 16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-5-androsten-3.beta.,17.beta.-diol; 16-[4-[3-(1H-Imidazole-1-yl)propoxy]-3-methoxybenzylidene]androsta-5-ene-3beta,17beta-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730478	.	.	.	.	532.7	C33H44N2O4	76.7	937	4.7	39	2	5	7	"InChI=1S/C33H44N2O4/c1-32-11-9-25(36)20-24(32)6-7-26-27(32)10-12-33(2)28(26)19-23(31(33)37)17-22-5-8-29(30(18-22)38-3)39-16-4-14-35-15-13-34-21-35/h5-6,8,13,15,17-18,21,25-28,31,36-37H,4,7,9-12,14,16,19-20H2,1-3H3/b23-17+/t25-,26+,27-,28-,31-,32-,33-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\\C5=CC(=C(C=C5)OCCCN6C=CN=C6)OC)/[C@@H]4O)C)O	IFCWLEZORUYIOR-FURYIAKLSA-N
DG65990	"16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-5-androsten-3beta,17beta-diol diacetate"	24204038	"NSC730479; NSC-730479; 16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-5-androsten-3.beta.,17.beta.-diol diacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730479	.	.	.	.	616.8	C37H48N2O6	88.9	1150	5.8	45	0	7	11	"InChI=1S/C37H48N2O6/c1-24(40)44-29-11-13-36(3)28(22-29)8-9-30-31(36)12-14-37(4)32(30)21-27(35(37)45-25(2)41)19-26-7-10-33(34(20-26)42-5)43-18-6-16-39-17-15-38-23-39/h7-8,10,15,17,19-20,23,29-32,35H,6,9,11-14,16,18,21-22H2,1-5H3/b27-19+/t29-,30+,31-,32-,35-,36-,37-/m0/s1"	CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)C/C(=C\\C5=CC(=C(C=C5)OCCCN6C=CN=C6)OC)/[C@@H]4OC(=O)C)C)C	MBGKEGQCXUEIST-ZNSNMJBFSA-N
DG65991	Fluoroquinolonr DR	24204048	FLUOROQUINOLONR DR; NSC730505; NSC-730505	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730505	.	.	.	.	802.2	C38H33ClFN7O8S	184	1680	3.2	56	1	15	10	"InChI=1S/C38H33ClFN7O8S/c1-54-34-35(55-2)41-19-42-36(34)56(52,53)24-8-4-22(5-9-24)43-32-25-15-21(39)3-10-29(25)47(37(32)49)20-44-11-13-45(14-12-44)31-17-30-26(16-28(31)40)33(48)27(38(50)51)18-46(30)23-6-7-23/h3-5,8-10,15-19,23H,6-7,11-14,20H2,1-2H3,(H,50,51)"	COC1=C(N=CN=C1S(=O)(=O)C2=CC=C(C=C2)N=C3C4=C(C=CC(=C4)Cl)N(C3=O)CN5CCN(CC5)C6=C(C=C7C(=C6)N(C=C(C7=O)C(=O)O)C8CC8)F)OC	CDFZXNGIZZOSCW-UHFFFAOYSA-N
DG65992	Iqdma	24204050	"IQDMA; 401463-02-3; 6-[2-(Dimethylamino)ethylamino]-11H-indolo[3,2-c]quinoline; n'-(11h-indolo[3,2-c]quinolin-6-yl)-n,n-dimethylethane-1,2-diamine; CHEMBL599054; SCHEMBL3510262; NSC730507; NSC-730507; N-(11H-indolo[3,2-c]quinolin-6-yl)-N',N'-dimethylethane-1,2-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730507	.	.	.	.	304.4	C19H20N4	44	399	4	23	2	3	4	"InChI=1S/C19H20N4/c1-23(2)12-11-20-19-17-13-7-3-5-9-15(13)21-18(17)14-8-4-6-10-16(14)22-19/h3-10,21H,11-12H2,1-2H3,(H,20,22)"	CN(C)CCNC1=NC2=CC=CC=C2C3=C1C4=CC=CC=C4N3	UROLFQZUYMCOHV-UHFFFAOYSA-N
DG65993	"N-(11H-indolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine"	24204051	CHEMBL597419; NSC730508; NSC-730508	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730508	.	.	.	.	318.4	C20H22N4	44	412	4.4	24	2	3	5	"InChI=1S/C20H22N4/c1-24(2)13-7-12-21-20-18-14-8-3-5-10-16(14)22-19(18)15-9-4-6-11-17(15)23-20/h3-6,8-11,22H,7,12-13H2,1-2H3,(H,21,23)"	CN(C)CCCNC1=NC2=CC=CC=C2C3=C1C4=CC=CC=C4N3	YDDJZBOVSWPZMR-UHFFFAOYSA-N
DG65994	"[2-(11H-indolo[3,2-c]quinolin-6-ylamino)ethylamino]methanol"	24204052	NSC730509; NSC-730509	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730509	.	.	.	.	306.4	C18H18N4O	73	393	3	23	4	4	5	"InChI=1S/C18H18N4O/c23-11-19-9-10-20-18-16-12-5-1-3-7-14(12)21-17(16)13-6-2-4-8-15(13)22-18/h1-8,19,21,23H,9-11H2,(H,20,22)"	C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4N=C3NCCNCO	YJVYYMZSBOGKLS-UHFFFAOYSA-N
DG65995	"N-(4-methoxyphenyl)-6H-indolo[2,3-b]quinolin-11-amine"	24204053	"DTXSID60639815; NSC730510; NSC-730510; 824935-66-2; N-(4-methoxyphenyl)-6H-indolo[2,3-b]quinolin-11-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730510	.	.	.	.	339.4	C22H17N3O	49.9	478	5.3	26	2	3	3	"InChI=1S/C22H17N3O/c1-26-15-12-10-14(11-13-15)23-21-17-7-3-5-9-19(17)25-22-20(21)16-6-2-4-8-18(16)24-22/h2-13H,1H3,(H2,23,24,25)"	COC1=CC=C(C=C1)NC2=C3C4=CC=CC=C4NC3=NC5=CC=CC=C52	CAUOQMWTNLBZLY-UHFFFAOYSA-N
DG65996	"N-(4-Methoxyphenyl)-6-methyl-6H-indolo[2,3-B]quinolin-11-amine"	24204057	"DTXSID20639816; NSC730515; NSC-730515; 824935-73-1; 11-(4-methoxyanilino)-6-methyl-6h-indolo[2,3-b]quinoline; N-(4-METHOXYPHENYL)-6-METHYL-6H-INDOLO[2,3-B]QUINOLIN-11-AMINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730515	.	.	.	.	353.4	C23H19N3O	39.1	506	5.2	27	1	3	3	"InChI=1S/C23H19N3O/c1-26-20-10-6-4-8-18(20)21-22(24-15-11-13-16(27-2)14-12-15)17-7-3-5-9-19(17)25-23(21)26/h3-14H,1-2H3,(H,24,25)"	CN1C2=CC=CC=C2C3=C(C4=CC=CC=C4N=C31)NC5=CC=C(C=C5)OC	ZOXGKOUNWFPEKB-UHFFFAOYSA-N
DG65997	NSC730518	24204060	"(5E)-5-benzylidene-2-[[4-[2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one; NSC730518; NSC-730518"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730518	.	.	.	.	572.7	C26H16N6O2S4	216	968	6.2	38	2	8	7	"InChI=1S/C26H16N6O2S4/c33-21-19(11-15-7-3-1-4-8-15)37-25(29-21)31-23-27-17(13-35-23)18-14-36-24(28-18)32-26-30-22(34)20(38-26)12-16-9-5-2-6-10-16/h1-14H,(H,27,29,31,33)(H,28,30,32,34)/b19-11+,20-12+"	C1=CC=C(C=C1)/C=C\\2/SC(=NC2=O)NC3=NC(=CS3)C4=CSC(=N4)NC5=NC(=O)/C(=C\\C6=CC=CC=C6)/S5	ODEXMQQKNBMQLZ-AYKLPDECSA-N
DG65998	NSC730519	24204061	"(5E)-5-[(4-methylphenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one; NSC730519; NSC-730519"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730519	.	.	.	.	600.8	C28H20N6O2S4	216	1020	6.9	40	2	8	7	"InChI=1S/C28H20N6O2S4/c1-15-3-7-17(8-4-15)11-21-23(35)31-27(39-21)33-25-29-19(13-37-25)20-14-38-26(30-20)34-28-32-24(36)22(40-28)12-18-9-5-16(2)6-10-18/h3-14H,1-2H3,(H,29,31,33,35)(H,30,32,34,36)/b21-11+,22-12+"	CC1=CC=C(C=C1)/C=C\\2/SC(=NC2=O)NC3=NC(=CS3)C4=CSC(=N4)NC5=NC(=O)/C(=C\\C6=CC=C(C=C6)C)/S5	DFDIKEAYXPECRA-XHQRYOPUSA-N
DG65999	NSC730520	24204062	"(5E)-5-[(4-chlorophenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one; NSC730520; NSC-730520"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730520	.	.	.	.	641.6	C26H14Cl2N6O2S4	216	1030	7.4	40	2	8	7	"InChI=1S/C26H14Cl2N6O2S4/c27-15-5-1-13(2-6-15)9-19-21(35)31-25(39-19)33-23-29-17(11-37-23)18-12-38-24(30-18)34-26-32-22(36)20(40-26)10-14-3-7-16(28)8-4-14/h1-12H,(H,29,31,33,35)(H,30,32,34,36)/b19-9+,20-10+"	C1=CC(=CC=C1/C=C\\2/SC(=NC2=O)NC3=NC(=CS3)C4=CSC(=N4)NC5=NC(=O)/C(=C\\C6=CC=C(C=C6)Cl)/S5)Cl	OONMAMOJCDABPF-LQGKIZFRSA-N
DG66000	NSC730522	24204064	"(5E)-5-benzylidene-2-[[4-[2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]amino]-5-methyl-1,3-thiazol-4-yl]-5-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one; NSC730522; NSC-730522"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730522	.	.	.	.	600.8	C28H20N6O2S4	216	1030	7	40	2	8	7	"InChI=1S/C28H20N6O2S4/c1-15-21(29-25(37-15)33-27-31-23(35)19(39-27)13-17-9-5-3-6-10-17)22-16(2)38-26(30-22)34-28-32-24(36)20(40-28)14-18-11-7-4-8-12-18/h3-14H,1-2H3,(H,29,31,33,35)(H,30,32,34,36)/b19-13+,20-14+"	CC1=C(N=C(S1)NC2=NC(=O)/C(=C\\C3=CC=CC=C3)/S2)C4=C(SC(=N4)NC5=NC(=O)/C(=C\\C6=CC=CC=C6)/S5)C	PFKHTPULULIICX-IWGRKNQJSA-N
DG66001	NSC730523	24204065	"(5E)-2-[[5-methyl-4-[5-methyl-2-[[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one; NSC730523; NSC-730523"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730523	.	.	.	.	628.8	C30H24N6O2S4	216	1080	7.7	42	2	8	7	"InChI=1S/C30H24N6O2S4/c1-15-5-9-19(10-6-15)13-21-25(37)33-29(41-21)35-27-31-23(17(3)39-27)24-18(4)40-28(32-24)36-30-34-26(38)22(42-30)14-20-11-7-16(2)8-12-20/h5-14H,1-4H3,(H,31,33,35,37)(H,32,34,36,38)/b21-13+,22-14+"	CC1=CC=C(C=C1)/C=C\\2/SC(=NC2=O)NC3=NC(=C(S3)C)C4=C(SC(=N4)NC5=NC(=O)/C(=C\\C6=CC=C(C=C6)C)/S5)C	HSFLLEBDPKELNM-JFMUQQRKSA-N
DG66002	NSC730524	24204066	"(5E)-5-[(4-methoxyphenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-5-methyl-1,3-thiazol-4-yl]-5-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one; NSC730524; NSC-730524"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730524	.	.	.	.	660.8	C30H24N6O4S4	234	1120	6.9	44	2	10	9	"InChI=1S/C30H24N6O4S4/c1-15-23(31-27(41-15)35-29-33-25(37)21(43-29)13-17-5-9-19(39-3)10-6-17)24-16(2)42-28(32-24)36-30-34-26(38)22(44-30)14-18-7-11-20(40-4)12-8-18/h5-14H,1-4H3,(H,31,33,35,37)(H,32,34,36,38)/b21-13+,22-14+"	CC1=C(N=C(S1)NC2=NC(=O)/C(=C\\C3=CC=C(C=C3)OC)/S2)C4=C(SC(=N4)NC5=NC(=O)/C(=C\\C6=CC=C(C=C6)OC)/S5)C	KUGCTFSTYXYJFY-JFMUQQRKSA-N
DG66003	Miliusane A	24204084	Miliusane A; SCHEMBL17340024; NSC730563; NSC-730563	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730563	.	.	.	.	304.4	C18H24O4	63.6	551	2.6	22	1	4	4	"InChI=1S/C18H24O4/c1-12(2)5-4-6-13(3)9-16-18(11-17(21)22-16)10-14(19)7-8-15(18)20/h5,7-9,14,16,19H,4,6,10-11H2,1-3H3/b13-9+/t14-,16-,18 /m1/s1"	CC(=CCC/C(=C/[C@@H]1C2(C[C@@H](C=CC2=O)O)CC(=O)O1)/C)C	LZYGZWJAFQLDDH-IZHUOMKQSA-N
DG66004	Miliusane B	24204085	Miliusane B; SCHEMBL17340029; NSC730564; NSC-730564	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730564	.	.	.	.	336.4	C19H28O5	72.8	558	2.2	24	1	5	5	"InChI=1S/C19H28O5/c1-12(2)6-5-7-13(3)8-17-19(11-18(22)24-17)10-14(20)15(23-4)9-16(19)21/h6,8,14-15,17,20H,5,7,9-11H2,1-4H3/b13-8+/t14-,15+,17+,19 /m0/s1"	CC(=CCC/C(=C/[C@@H]1C2(C[C@@H]([C@@H](CC2=O)OC)O)CC(=O)O1)/C)C	RNXGMPDMYPADJI-IMGGVRDPSA-N
DG66005	"[(1R,9S)-1-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3,6-dioxo-2-oxaspiro[4.5]dec-7-en-9-yl] acetate"	24204086	Miliusate; SCHEMBL17340022; NSC730565; NSC-730565	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730565	.	.	.	.	346.4	C20H26O5	69.7	651	3.2	25	0	5	6	"InChI=1S/C20H26O5/c1-13(2)6-5-7-14(3)10-18-20(12-19(23)25-18)11-16(24-15(4)21)8-9-17(20)22/h6,8-10,16,18H,5,7,11-12H2,1-4H3/b14-10+/t16-,18-,20 /m1/s1"	CC(=CCC/C(=C/[C@@H]1C2(C[C@@H](C=CC2=O)OC(=O)C)CC(=O)O1)/C)C	PXCPYWFVMWHLIE-VFDYJAQGSA-N
DG66006	"(2E)-1-(2,4-Dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one"	24204099	"918495-89-3; (2E)-1-(2,4-Dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one; 2-Propen-1-one, 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-, (2E)-; CHEMBL3329262; ZINC6641600; MFCD04687521; NSC730586; NSC-730586; (E)-1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730586	.	.	.	.	307.2	C16H12Cl2O2	26.3	348	4.9	20	0	2	4	"InChI=1S/C16H12Cl2O2/c1-20-13-6-2-11(3-7-13)4-9-16(19)14-8-5-12(17)10-15(14)18/h2-10H,1H3/b9-4+"	COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)Cl)Cl	ZMEDBKYDRYWFLR-RUDMXATFSA-N
DG66007	"3-(5-Methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	24204100	NSC730594; NSC-730594	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730594	.	.	.	.	366.5	C16H18N2O4S2	114	442	3	24	0	7	5	"InChI=1S/C16H18N2O4S2/c1-9-7-17-16(24-9)18-13(19)8-23-15(18)10-5-11(20-2)14(22-4)12(6-10)21-3/h5-7,15H,8H2,1-4H3"	CC1=CN=C(S1)N2C(SCC2=O)C3=CC(=C(C(=C3)OC)OC)OC	JVFIYTWWMNJCEX-UHFFFAOYSA-N
DG66008	N-[4-[(4Z)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]propanamide	24204102	NSC730601; NSC-730601	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730601	.	.	.	.	425.5	C26H23N3O3	71	725	4.3	32	1	4	6	"InChI=1S/C26H23N3O3/c1-3-24(30)27-20-11-13-21(14-12-20)29-25(19-7-5-4-6-8-19)28-23(26(29)31)17-18-9-15-22(32-2)16-10-18/h4-17H,3H2,1-2H3,(H,27,30)/b23-17-"	CCC(=O)NC1=CC=C(C=C1)N2C(=N/C(=C\\C3=CC=C(C=C3)OC)/C2=O)C4=CC=CC=C4	JPISZJHQSORFKF-QJOMJCCJSA-N
DG66009	NSC730661	24204112	"[(1R,2S,4S,6S,8S,9S,13S,14S,16S,19S)-6,9,14-trihydroxy-10,14-dimethyl-5-methylidene-18-oxo-7,17,20-trioxahexacyclo[11.5.1.19,12.01,12.04,8.016,19]icos-10-en-2-yl] acetate; NSC730661; NSC-730661"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730661	.	.	.	.	434.4	C22H26O9	132	974	-1.6	31	3	9	2	"InChI=1S/C22H26O9/c1-8-6-20-15-14-12(7-19(15,4)26)29-18(25)21(14,20)13(28-10(3)23)5-11-9(2)17(24)30-16(11)22(8,27)31-20/h6,11-17,24,26-27H,2,5,7H2,1,3-4H3/t11-,12-,13-,14-,15-,16-,17-,19-,20 ,21+,22-/m0/s1"	CC1=CC23[C@H]4[C@H]5[C@]2([C@H](C[C@@H]6[C@@H]([C@]1(O3)O)O[C@@H](C6=C)O)OC(=O)C)C(=O)O[C@H]5C[C@]4(C)O	BILSMHBWRCOPGJ-VKCINZSHSA-N
DG66010	Eunicin-cyclo	24204113	Eunicin-cyclo; NSC730662; NSC-730662	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730662	.	.	.	.	348.5	C21H32O4	55.8	578	3.3	25	1	4	0	"InChI=1S/C21H32O4/c1-13-6-4-8-14(2)17-18-15(21(10-11-21)19(22)25-18)12-16(24-17)20(3,23)9-5-7-13/h7,14-18,23H,4-6,8-12H2,1-3H3/b13-7+/t14-,15 ,16+,17+,18-,20-/m1/s1"	C[C@@H]1CCC/C(=C/CC[C@@]([C@@H]2CC3[C@H]([C@H]1O2)OC(=O)C34CC4)(C)O)/C	YXLAWQUFWHSHLQ-KKXFEYRMSA-N
DG66011	Eunicin-alkene	24204115	Eunicin-alkene; NSC730665; NSC-730665	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730665	.	.	.	.	348.5	C21H32O4	55.8	578	3.6	25	1	4	0	"InChI=1S/C21H32O4/c1-5-15-16-12-17-21(4,23)11-7-9-13(2)8-6-10-14(3)18(24-17)19(16)25-20(15)22/h5,9,14,16-19,23H,6-8,10-12H2,1-4H3/b13-9+,15-5-/t14-,16 ,17+,18+,19-,21-/m1/s1"	C/C=C\\1/C2C[C@H]3[C@](CC/C=C(/CCC[C@H]([C@@H]([C@@H]2OC1=O)O3)C)\\C)(C)O	XTONXHQLOHQXBT-VAVFTYMPSA-N
DG66012	"2-[1-(4-Bromophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,5-dihydroxyphenyl)ethanone"	24204134	CHEMBL2262667; NSC730711; NSC-730711	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730711	.	.	.	.	401.3	C19H17BrN2O3	75.4	470	4.5	25	2	4	4	"InChI=1S/C19H17BrN2O3/c1-11-16(10-19(25)17-9-15(23)7-8-18(17)24)12(2)22(21-11)14-5-3-13(20)4-6-14/h3-9,23-24H,10H2,1-2H3"	CC1=C(C(=NN1C2=CC=C(C=C2)Br)C)CC(=O)C3=C(C=CC(=C3)O)O	GYGWZXNSIUJGMP-UHFFFAOYSA-N
DG66013	NSC730813	24204173	"(3S,4S,4aS,5R,6R,6aS,7R,11aS,11bR)-3,5-dibenzoyloxy-4a-hydroxy-6-methoxy-4,7,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylic acid; NSC730813; NSC-730813"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730813	.	.	.	.	602.7	C35H38O9	133	1100	5.9	44	2	9	8	"InChI=1S/C35H38O9/c1-20-23-16-18-42-25(23)19-24-27(20)28(41-4)29(44-31(37)22-13-9-6-10-14-22)35(40)33(24,2)17-15-26(34(35,3)32(38)39)43-30(36)21-11-7-5-8-12-21/h5-14,16,18,20,24,26-29,40H,15,17,19H2,1-4H3,(H,38,39)/t20-,24-,26-,27-,28+,29+,33+,34+,35-/m0/s1"	C[C@@H]1[C@H]2[C@H](CC3=C1C=CO3)[C@]4(CC[C@@H]([C@]([C@@]4([C@@H]([C@@H]2OC)OC(=O)C5=CC=CC=C5)O)(C)C(=O)O)OC(=O)C6=CC=CC=C6)C	HPZBZNRIQFDDIT-MPOKFLJKSA-N
DG66014	3-bromo-4-(2-(4-methoxyphenyl)ethynyl)furan-2(5H)-one	24204187	NSC730944; NSC-730944; 3-bromo-4-(2-(4-methoxyphenyl)ethynyl)furan-2(5H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730944	.	.	.	.	293.11	C13H9BrO3	35.5	405	2.7	17	0	3	3	"InChI=1S/C13H9BrO3/c1-16-11-6-3-9(4-7-11)2-5-10-8-17-13(15)12(10)14/h3-4,6-7H,8H2,1H3"	COC1=CC=C(C=C1)C#CC2=C(C(=O)OC2)Br	ORLYFVOVRNFNJE-UHFFFAOYSA-N
DG66015	"4-(2-(4-methoxyphenyl)ethynyl)-3-(3,5-trimethoxyphenyl)fur an-2(5H)-one"	24204189	"NSC730946; NSC-730946; 4-(2-(4-methoxyphenyl)ethynyl)-3-(3,5-trimethoxyphenyl)fur an-2(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730946	.	.	.	.	380.4	C22H20O6	63.2	634	3.3	28	0	6	7	"InChI=1S/C22H20O6/c1-24-17-9-6-14(7-10-17)5-8-15-13-28-22(23)20(15)16-11-18(25-2)21(27-4)19(12-16)26-3/h6-7,9-12H,13H2,1-4H3"	COC1=CC=C(C=C1)C#CC2=C(C(=O)OC2)C3=CC(=C(C(=C3)OC)OC)OC	LBHUYUANCIPXDM-UHFFFAOYSA-N
DG66016	7-[3-[2-[3-(7-Hydroxyhept-5-ynoxy)prop-1-ynyl]phenyl]prop-2-ynoxy]hept-2-yn-1-ol	24204212	NSC730973; NSC-730973	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730973	.	.	.	.	406.5	C26H30O4	58.9	651	3.1	30	2	4	12	"InChI=1S/C26H30O4/c27-19-9-3-1-5-11-21-29-23-13-17-25-15-7-8-16-26(25)18-14-24-30-22-12-6-2-4-10-20-28/h7-8,15-16,27-28H,1-2,5-6,11-12,19-24H2"	C1=CC=C(C(=C1)C#CCOCCCCC#CCO)C#CCOCCCCC#CCO	MIJIUSNZWWXXBI-UHFFFAOYSA-N
DG66017	3-[2-[2-[4-(2-Phenylethynyl)phenyl]ethynyl]phenyl]prop-2-yn-1-ol	24204228	NSC731014; NSC-731014	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731014	.	.	.	.	332.4	C25H16O	20.2	634	5.5	26	1	1	5	"InChI=1S/C25H16O/c26-20-6-11-24-9-4-5-10-25(24)19-18-23-16-14-22(15-17-23)13-12-21-7-2-1-3-8-21/h1-5,7-10,14-17,26H,20H2"	C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=CC=C3C#CCO	QYDWYTDTWUZDTN-UHFFFAOYSA-N
DG66018	"methyl (4S,5R,9R,12S,13R)-10-hydroxy-5,9,12-trimethyl-16-oxatetracyclo[11.3.1.01,10.04,9]heptadec-14-ene-5-carboxylate"	24204229	NSC731015; NSC-731015	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731015	.	.	.	.	348.5	C21H32O4	55.8	615	3.6	25	1	4	2	"InChI=1S/C21H32O4/c1-14-12-21(23)19(3)9-5-8-18(2,17(22)24-4)16(19)6-10-20(21)13-15(14)7-11-25-20/h7,11,14-16,23H,5-6,8-10,12-13H2,1-4H3/t14-,15+,16+,18+,19+,20 ,21 /m0/s1"	C[C@H]1CC2([C@@]3(CCC[C@@]([C@H]3CCC24C[C@H]1C=CO4)(C)C(=O)OC)C)O	IZTXURNBNMYWSO-CTXYIHRHSA-N
DG66019	"1-[(4R,6S)-14-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-6-yl]ethanone"	24204235	NSC731022; NSC-731022	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731022	.	.	.	.	330.5	C21H30O3	49.8	639	3	24	1	3	1	"InChI=1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,14-18,23H,4-9,11H2,1-3H3/t14 ,15 ,16 ,17 ,18-,19 ,20 ,21-/m1/s1"	CC(=O)[C@]12[C@H](O1)CC3C2(CCC4C3CCC5=CC(CCC45C)O)C	DDRAGVMBTDXIII-QJYPHQRNSA-N
DG66020	5-[(4-Trifluoromethylthio)benzyliden]-2(4-methoxy)phenylimin o-3-propyl-4-thyazolidinone	24204241	NSC731057; NSC-731057; 5-[(4-trifluoromethylthio)benzyliden]-2(4-methoxy)phenylimin o-3-propyl-4-thyazolidinone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731057	.	.	.	.	452.5	C21H19F3N2O2S2	92.5	653	6.8	30	0	8	6	"InChI=1S/C21H19F3N2O2S2/c1-3-12-26-19(27)18(13-14-4-10-17(11-5-14)30-21(22,23)24)29-20(26)25-15-6-8-16(28-2)9-7-15/h4-11,13H,3,12H2,1-2H3/b18-13-,25-20 "	CCCN1C(=O)/C(=C/C2=CC=C(C=C2)SC(F)(F)F)/SC1=NC3=CC=C(C=C3)OC	WJVLSYCEOYWKJO-IVTJCWFQSA-N
DG66021	NSC731093	24204246	"7-[4-[(5-Chloro-2,3-dioxoindol-1-yl)methyl]-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid; NSC731093; NSC-731093"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731093	.	.	.	.	569	C28H26ClFN4O6	111	1120	2.1	40	1	10	6	"InChI=1S/C28H26ClFN4O6/c1-14-11-31(7-8-32(14)13-34-21-6-3-15(29)9-17(21)25(36)27(34)37)23-20(30)10-18-22(26(23)40-2)33(16-4-5-16)12-19(24(18)35)28(38)39/h3,6,9-10,12,14,16H,4-5,7-8,11,13H2,1-2H3,(H,38,39)"	CC1CN(CCN1CN2C3=C(C=C(C=C3)Cl)C(=O)C2=O)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F	JSFSIFAKBYNKLA-UHFFFAOYSA-N
DG66022	"2[4-(Fluoro)phenoxy]-3-phenyl-5,7-diaminoquinoxaline"	24204258	"CHEMBL519676; NSC731128; NSC-731128; 2[4-(fluoro)phenoxy]-3-phenyl-5,7-diaminoquinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731128	.	.	.	.	346.4	C20H15FN4O	87	453	3.5	26	2	6	3	"InChI=1S/C20H15FN4O/c21-13-6-8-15(9-7-13)26-20-18(12-4-2-1-3-5-12)25-19-16(23)10-14(22)11-17(19)24-20/h1-11H,22-23H2"	C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2OC4=CC=C(C=C4)F)N)N	MBKJCNYBKFBOEH-UHFFFAOYSA-N
DG66023	"2-[3,5(Trimethoxy)benzylamino]-3-phenyl-5,7-diamino quinoxaline"	24204259	"CHEMBL485102; NSC731129; NSC-731129; 2-[3,5(trimethoxy)benzylamino]-3-phenyl-5,7-diamino quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731129	.	.	.	.	431.5	C24H25N5O3	118	564	3.2	32	3	8	7	"InChI=1S/C24H25N5O3/c1-30-19-9-14(10-20(31-2)23(19)32-3)13-27-24-21(15-7-5-4-6-8-15)29-22-17(26)11-16(25)12-18(22)28-24/h4-12H,13,25-26H2,1-3H3,(H,27,28)"	COC1=CC(=CC(=C1OC)OC)CNC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N	OMZKQPBRHRPQRH-UHFFFAOYSA-N
DG66024	"2-[4-(Fluoro)anilino]-3-phenyl-5,7-diaminoquinoxaline"	24204260	"CHEMBL465891; BDBM50251164; NSC731130; NSC-731130; 2-[4-(fluoro)anilino]-3-phenyl-5,7-diaminoquinoxaline; 2-[(4-Fluoro-phenyl)amino]-3-phenyl-5,7-diamino-quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731130	.	.	.	.	345.4	C20H16FN5	89.8	450	3.5	26	3	6	3	"InChI=1S/C20H16FN5/c21-13-6-8-15(9-7-13)24-20-18(12-4-2-1-3-5-12)26-19-16(23)10-14(22)11-17(19)25-20/h1-11H,22-23H2,(H,24,25)"	C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2NC4=CC=C(C=C4)F)N)N	NIUYHJHZOHMWPP-UHFFFAOYSA-N
DG66025	"2-[4-(Fluoro)benzylamino]-3-phenyl-5,7-diaminoquinoxaline"	24204261	"CHEMBL485305; NSC731131; NSC-731131; 2-[4-(fluoro)benzylamino]-3-phenyl-5,7-diaminoquinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731131	.	.	.	.	359.4	C21H18FN5	89.8	464	3.4	27	3	6	4	"InChI=1S/C21H18FN5/c22-15-8-6-13(7-9-15)12-25-21-19(14-4-2-1-3-5-14)27-20-17(24)10-16(23)11-18(20)26-21/h1-11H,12,23-24H2,(H,25,26)"	C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2NCC4=CC=C(C=C4)F)N)N	ZTKRLJYHHPMLPZ-UHFFFAOYSA-N
DG66026	4-{[2-Ethoxy-6-methyl-4-oxo-chroman-ylidenemethyl]-amino}-be nzenesulfonamide	24204276	NSC731162; NSC-731162; 4-{[2-Ethoxy-6-methyl-4-oxo-chroman-ylidenemethyl]-amino}-be nzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731162	.	.	.	.	388.4	C19H20N2O5S	116	664	2.3	27	2	7	5	"InChI=1S/C19H20N2O5S/c1-3-25-19-16(18(22)15-10-12(2)4-9-17(15)26-19)11-21-13-5-7-14(8-6-13)27(20,23)24/h4-11,19,21H,3H2,1-2H3,(H2,20,23,24)/b16-11+"	CCOC1/C(=C/NC2=CC=C(C=C2)S(=O)(=O)N)/C(=O)C3=C(O1)C=CC(=C3)C	HSMKUZHMLVJRRM-LFIBNONCSA-N
DG66027	"2-[3-Amino-4-oxo-2-thioxo-thiazolidin-ylidenemethyl]-4-benzy l-4H-furo[3,2-b]pyrrole-5-carboxylic acid"	24204277	"NSC731164; NSC-731164; 2-[3-Amino-4-oxo-2-thioxo-thiazolidin-ylidenemethyl]-4-benzy l-4H-furo[3,2-b]pyrrole-5-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731164	.	.	.	.	455.5	C21H17N3O5S2	151	798	3.5	31	1	7	5	"InChI=1S/C21H17N3O5S2/c1-12(25)22-24-19(26)18(31-21(24)30)9-14-8-15-17(29-14)10-16(20(27)28-2)23(15)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,22,25)/b18-9-"	CC(=O)NN1C(=O)/C(=C/C2=CC3=C(O2)C=C(N3CC4=CC=CC=C4)C(=O)OC)/SC1=S	HWRWBHPQBAOICZ-NVMNQCDNSA-N
DG66028	Tert-butyl 3-[(phenylcarbamothioylamino)methyl]indole-1-carboxylate	24204278	CHEMBL2442577; NSC731166; NSC-731166; tert-Butyl 3-[(anilinocarbothioyl)amino]methyl-1H-1-indolecarboxylate N-[1-(tert-Butoxycarbonyl)indol-3-yl]methyl-N -phenylthioure a	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731166	.	.	.	.	381.5	C21H23N3O2S	87.4	528	4.4	27	2	3	5	"InChI=1S/C21H23N3O2S/c1-21(2,3)26-20(25)24-14-15(17-11-7-8-12-18(17)24)13-22-19(27)23-16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3,(H2,22,23,27)"	CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CNC(=S)NC3=CC=CC=C3	VMMRMAUNGFOCNX-UHFFFAOYSA-N
DG66029	"beta-N-ribofuranosylbenzocamalexin,7a-dihydro-indol-1-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol"	24204284	"NSC731178; NSC-731178; beta-N-ribofuranosylbenzocamalexin,7a-dihydro-indol-1-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731178	.	.	.	.	384.5	C20H20N2O4S	114	668	2.1	27	3	7	3	"InChI=1S/C20H20N2O4S/c23-10-15-17(24)18(25)20(26-15)22-9-12(11-5-1-3-7-14(11)22)19-21-13-6-2-4-8-16(13)27-19/h1-9,11,14-15,17-18,20,23-25H,10H2"	C1=CC=C2C(=C1)N=C(S2)C3=CN(C4C3C=CC=C4)C5C(C(C(O5)CO)O)O	BLKXLIRWXMOUGQ-UHFFFAOYSA-N
DG66030	Furan-2-yl-[6-methyl-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]methanone	24204285	"NSC731197; NSC-731197; 2-carboxy-(2 -furyl)-6(7)-methyl-3-trifluoromethylquinoxalin e 1,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731197	.	.	.	.	338.24	C15H9F3N2O4	76.6	590	2.2	24	0	8	2	"InChI=1S/C15H9F3N2O4/c1-8-4-5-9-10(7-8)20(23)14(15(16,17)18)12(19(9)22)13(21)11-3-2-6-24-11/h2-7H,1H3"	CC1=CC2=C(C=C1)[N+](=O)C(=C(N2[O-])C(F)(F)F)C(=O)C3=CC=CO3	NYTAEMUSNDJDIR-UHFFFAOYSA-N
DG66031	"Ethyl 6,7-dichloro-1-oxido-4-oxo-3-phenylquinoxalin-4-ium-2-carboxylate"	24204287	CHEMBL454944; NSC731201; NSC-731201	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731201	.	.	.	.	379.2	C17H12Cl2N2O4	72.7	577	3.3	25	0	5	4	"InChI=1S/C17H12Cl2N2O4/c1-2-25-17(22)16-15(10-6-4-3-5-7-10)20(23)13-8-11(18)12(19)9-14(13)21(16)24/h3-9H,2H2,1H3"	CCOC(=O)C1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C3=CC=CC=C3	BRHZSLZKEOOOLJ-UHFFFAOYSA-N
DG66032	"Ethyl 7-chloro-3-phenyl-2-quinoxalincarboxylate 1,4-dioxide"	24204289	"CHEMBL453122; NSC731203; NSC-731203; ethyl 7-chloro-3-phenyl-2-quinoxalincarboxylate 1,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731203	.	.	.	.	344.7	C17H13ClN2O4	72.7	545	2.7	24	0	5	4	"InChI=1S/C17H13ClN2O4/c1-2-24-17(21)16-15(11-6-4-3-5-7-11)19(22)13-9-8-12(18)10-14(13)20(16)23/h3-10H,2H2,1H3"	CCOC(=O)C1=C([N+](=O)C2=C(N1[O-])C=C(C=C2)Cl)C3=CC=CC=C3	VQJUUMXAWFDGRT-UHFFFAOYSA-N
DG66033	"Ethyl 6,7-difluoro-1-oxido-4-oxo-3-phenylquinoxalin-4-ium-2-carboxylate"	24204290	CHEMBL509458; NSC731204; NSC-731204	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731204	.	.	.	.	346.28	C17H12F2N2O4	72.7	577	2.3	25	0	7	4	"InChI=1S/C17H12F2N2O4/c1-2-25-17(22)16-15(10-6-4-3-5-7-10)20(23)13-8-11(18)12(19)9-14(13)21(16)24/h3-9H,2H2,1H3"	CCOC(=O)C1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)C3=CC=CC=C3	HMJXCGDMUMKQNF-UHFFFAOYSA-N
DG66034	NSC731283	24204297	"(NE)-N-[1-[(3R,6E,8R,11S,12S,15S,16R)-6-hydroxyimino-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]ethylidene]hydroxylamine; NSC731283; NSC-731283"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731283	.	.	.	.	386.6	C24H38N2O2	65.2	773	5.9	28	2	4	1	"InChI=1S/C24H38N2O2/c1-15(25-27)16-8-10-22(5)18-7-6-17-20(2,3)19(26-28)9-11-23(17)14-24(18,23)13-12-21(16,22)4/h16-18,27-28H,6-14H2,1-5H3/b25-15+,26-19+/t16-,17+,18+,21-,22+,23-,24 /m1/s1"	C/C(=N\\O)/[C@H]1CC[C@@]2([C@@]1(CCC34[C@H]2CC[C@@H]5[C@]3(C4)CC/C(=N\\O)/C5(C)C)C)C	FELIHRKJMZGYPM-JNQJMZCHSA-N
DG66035	"9-Isobutyl-8-methyl-3,4-dihydro-9H-5-oxa-1,2a,9-tr iaza-cyclopental[d]acenaphthylene-7-carboxylic acid ethyl ester"	24204305	"NSC731291; NSC-731291; 9-Isobutyl-8-methyl-3,4-dihydro-9H-5-oxa-1,2a,9-tr iaza-cyclopental[d]acenaphthylene-7-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731291	.	.	.	.	369.4	C19H19N3O5	92.4	653	3.2	27	0	6	5	"InChI=1S/C19H19N3O5/c1-5-26-18(24)13-10(4)21(7-9(2)3)15-11(13)6-12-16-14(15)20-8-22(16)17(23)19(25)27-12/h6,8-9H,5,7H2,1-4H3"	CCOC(=O)C1=C(N(C2=C3C4=C(C=C12)OC(=O)C(=O)N4C=N3)CC(C)C)C	WRRVOAFTLVHYFU-UHFFFAOYSA-N
DG66036	"9-Benzyl-8-methyl-3,4-dihydro-9H-5-oxa-1,2a,9-tria za-cyclopenta[d]acenaphthylene-7-carboxylic acid ethyl ester"	24204306	"NSC731292; NSC-731292; 9-Benzyl-8-methyl-3,4-dihydro-9H-5-oxa-1,2a,9-tria za-cyclopenta[d]acenaphthylene-7-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731292	.	.	.	.	403.4	C22H17N3O5	92.4	724	3.5	30	0	6	5	"InChI=1S/C22H17N3O5/c1-3-29-21(27)16-12(2)24(10-13-7-5-4-6-8-13)18-14(16)9-15-19-17(18)23-11-25(19)20(26)22(28)30-15/h4-9,11H,3,10H2,1-2H3"	CCOC(=O)C1=C(N(C2=C3C4=C(C=C12)OC(=O)C(=O)N4C=N3)CC5=CC=CC=C5)C	NYEOJLVUQGCIPZ-UHFFFAOYSA-N
DG66037	"7-(Benzylthio)-5-(furan-2-yl)-1,3,4-tetrahydro-2,4-dithiox opyrido[2,3-d]pyrimidine-6-carbonitrile"	24204316	"NSC731358; NSC-731358; 7-(Benzylthio)-5-(furan-2-yl)-1,3,4-tetrahydro-2,4-dithiox opyrido[2,3-d]pyrimidine-6-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731358	.	.	.	.	408.5	C19H12N4OS3	163	630	3.7	27	2	6	4	"InChI=1S/C19H12N4OS3/c20-9-12-14(13-7-4-8-24-13)15-16(22-19(26)23-17(15)25)21-18(12)27-10-11-5-2-1-3-6-11/h1-8H,10H2,(H2,21,22,23,25,26)"	C1=CC=C(C=C1)CSC2=NC3=C(C(=C2C#N)C4=CC=CO4)C(=S)NC(=S)N3	OPJYXTXPZVNNEA-UHFFFAOYSA-N
DG66038	"2,7-Tris(ethylthio)-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]py rimidine-6-carbonitrile"	24204320	"NSC731362; NSC-731362; 2,7-Tris(ethylthio)-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]py rimidine-6-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731362	.	.	.	.	472.7	C22H24N4O2S3	157	607	5.7	31	0	9	9	"InChI=1S/C22H24N4O2S3/c1-6-29-20-14(12-23)17(13-9-10-15(27-4)16(11-13)28-5)18-19(24-20)25-22(31-8-3)26-21(18)30-7-2/h9-11H,6-8H2,1-5H3"	CCSC1=NC2=C(C(=C1C#N)C3=CC(=C(C=C3)OC)OC)C(=NC(=N2)SCC)SCC	BGUZIEPZTIMLAE-UHFFFAOYSA-N
DG66039	"6-Chloro-3-(4-chlorophenylimino)-7-methyl-2-(phenylsulfonyl)-1,3-dihydro-1,4,2-benzodithiazine"	24204334	"NSC731392; NSC-731392; 6-Chloro-3-(4-chlorophenylimino)-7-methyl-2-(phenylsulfonyl) -1,3-dihydro-1,4,2-benzodithiazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731392	.	.	.	.	513.4	C20H14Cl2N2O4S3	126	886	6	31	0	6	3	"InChI=1S/C20H14Cl2N2O4S3/c1-13-11-19-18(12-17(13)22)29-20(23-15-9-7-14(21)8-10-15)24(31(19,27)28)30(25,26)16-5-3-2-4-6-16/h2-12H,1H3"	CC1=CC2=C(C=C1Cl)SC(=NC3=CC=C(C=C3)Cl)N(S2(=O)=O)S(=O)(=O)C4=CC=CC=C4	AAYNZZNJVJETRL-UHFFFAOYSA-N
DG66040	"2-(5-Bromothiophene-2-sulfonyl)-6-chloro-2-(4-chlorophenylim ino)-7-methyl-1,3-dihydro-1,4,2-benzodithiazine"	24204335	"NSC731393; NSC-731393; 2-(5-Bromothiophene-2-sulfonyl)-6-chloro-2-(4-chlorophenylim ino)-7-methyl-1,3-dihydro-1,4,2-benzodithiazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731393	.	.	.	.	598.4	C18H11BrCl2N2O4S4	154	916	7.1	31	0	7	3	"InChI=1S/C18H11BrCl2N2O4S4/c1-10-8-15-14(9-13(10)21)28-18(22-12-4-2-11(20)3-5-12)23(30(15,24)25)31(26,27)17-7-6-16(19)29-17/h2-9H,1H3"	CC1=CC2=C(C=C1Cl)SC(=NC3=CC=C(C=C3)Cl)N(S2(=O)=O)S(=O)(=O)C4=CC=C(S4)Br	MDWFQQLMNFUWFY-UHFFFAOYSA-N
DG66041	"2-Acetyl-7-chloro-8-methyl-3-(4-methoxyphenyl)-1,5,2-benzo[f]dithiazepine"	24204341	"NSC731402; NSC-731402; 2-Acetyl-7-chloro-8-methyl-3-(4-methoxyphenyl)-1,5,2-benzo[f]dithiazepine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731402	.	.	.	.	409.9	C18H16ClNO4S2	97.4	667	3.7	26	0	5	2	"InChI=1S/C18H16ClNO4S2/c1-11-8-18-17(9-15(11)19)25-10-16(20(12(2)21)26(18,22)23)13-4-6-14(24-3)7-5-13/h4-10H,1-3H3"	CC1=CC2=C(C=C1Cl)SC=C(N(S2(=O)=O)C(=O)C)C3=CC=C(C=C3)OC	ULFFBXSLENRHOV-UHFFFAOYSA-N
DG66042	6-Chloro-9-[[4-[4-(chloromethyl)phenyl]phenyl]methyl]purin-2-amine	24204344	NSC731406; NSC-731406	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731406	.	.	.	.	384.3	C19H15Cl2N5	69.6	451	4.3	26	1	4	4	"InChI=1S/C19H15Cl2N5/c20-9-12-1-5-14(6-2-12)15-7-3-13(4-8-15)10-26-11-23-16-17(21)24-19(22)25-18(16)26/h1-8,11H,9-10H2,(H2,22,24,25)"	C1=CC(=CC=C1CN2C=NC3=C2N=C(N=C3Cl)N)C4=CC=C(C=C4)CCl	ALDGERMNKOCLST-UHFFFAOYSA-N
DG66043	6-Chloro-9-[[4-[4-(chloromethyl)phenyl]phenyl]methyl]purine	24204346	NSC731408; NSC-731408	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731408	.	.	.	.	369.2	C19H14Cl2N4	43.6	422	5	25	0	3	4	"InChI=1S/C19H14Cl2N4/c20-9-13-1-5-15(6-2-13)16-7-3-14(4-8-16)10-25-12-24-17-18(21)22-11-23-19(17)25/h1-8,11-12H,9-10H2"	C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3Cl)C4=CC=C(C=C4)CCl	WJCRSRKYZYMZJT-UHFFFAOYSA-N
DG66044	6-Chloro-9-[[4-(chloromethyl)phenyl]methyl]purine	24204347	CHEMBL2262440; NSC731409; NSC-731409	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731409	.	.	.	.	293.15	C13H10Cl2N4	43.6	296	3.4	19	0	3	3	"InChI=1S/C13H10Cl2N4/c14-5-9-1-3-10(4-2-9)6-19-8-18-11-12(15)16-7-17-13(11)19/h1-4,7-8H,5-6H2"	C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3Cl)CCl	WLJFOTSEPCLQLR-UHFFFAOYSA-N
DG66045	"(11R,14S,15S,17S)-5,7-dioxa-1-azapentacyclo[9.7.1.02,10.04,8.012,17]nonadeca-2,4(8),9,12-tetraene-14,15-diol"	24204350	NSC731435; NSC-731435	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731435	.	.	.	.	287.31	C16H17NO4	62.2	481	0.5	21	2	5	0	"InChI=1S/C16H17NO4/c18-13-1-8-5-17-6-11(9(8)2-14(13)19)10-3-15-16(4-12(10)17)21-7-20-15/h2-4,8,11,13-14,18-19H,1,5-7H2/t8-,11-,13+,14+/m1/s1"	C1[C@@H]2CN3C[C@H](C2=C[C@@H]([C@H]1O)O)C4=CC5=C(C=C43)OCO5	JBWRMXUUXFXFTA-BLJJELEKSA-N
DG66046	NSC731589	24204369	"5-[(E)-2-[(7R,8aR,10aR)-7-hydroxy-4-methoxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-yl]ethenyl]-2-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienyl]benzene-1,3-diol; NSC731589; NSC-731589"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731589	.	.	.	.	562.7	C35H46O6	99.4	942	7.6	41	4	6	9	"InChI=1S/C35H46O6/c1-22(8-7-9-23(2)21-36)10-13-27-28(37)17-25(18-29(27)38)12-11-24-16-26-20-31-34(3,4)32(39)14-15-35(31,5)41-33(26)30(19-24)40-6/h9-12,16-19,31-32,36-39H,7-8,13-15,20-21H2,1-6H3/b12-11+,22-10+,23-9+/t31-,32-,35-/m1/s1"	C/C(=C\\CC1=C(C=C(C=C1O)/C=C/C2=CC3=C(C(=C2)OC)O[C@@]4(CC[C@H](C([C@H]4C3)(C)C)O)C)O)/CC/C=C(\\C)/CO	MCYIQAGFDHUBHQ-SCHXCMLESA-N
DG66047	Trans-N-{4-[N'-(4-chlorophenyl)hydrazinocarbonyl]cyclohexylm ethyl}-2-chlorobenzenesulfonamide	24204371	NSC731615; NSC-731615; Trans-N-{4-[N'-(4-chlorophenyl)hydrazinocarbonyl]cyclohexylm ethyl}-2-chlorobenzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731615	.	.	.	.	456.4	C20H23Cl2N3O3S	95.7	627	4.8	29	3	5	7	"InChI=1S/C20H23Cl2N3O3S/c21-16-9-11-17(12-10-16)24-25-20(26)15-7-5-14(6-8-15)13-23-29(27,28)19-4-2-1-3-18(19)22/h1-4,9-12,14-15,23-24H,5-8,13H2,(H,25,26)"	C1CC(CCC1CNS(=O)(=O)C2=CC=CC=C2Cl)C(=O)NNC3=CC=C(C=C3)Cl	BDGJZYZTLCONOI-UHFFFAOYSA-N
DG66048	"Trans-N-{4-[N'-(4-fluorophenyl)hydrazinocarbonyl]cyclohexylm ethyl}-3,4-dichlorobenzenesulfonamide"	24204377	"NSC731621; NSC-731621; Trans-N-{4-[N'-(4-fluorophenyl)hydrazinocarbonyl]cyclohexylm ethyl} -3,4-dichlorobenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731621	.	.	.	.	474.4	C20H22Cl2FN3O3S	95.7	663	4.9	30	3	6	7	"InChI=1S/C20H22Cl2FN3O3S/c21-18-10-9-17(11-19(18)22)30(28,29)24-12-13-1-3-14(4-2-13)20(27)26-25-16-7-5-15(23)6-8-16/h5-11,13-14,24-25H,1-4,12H2,(H,26,27)"	C1CC(CCC1CNS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NNC3=CC=C(C=C3)F	IXYDQLZVUTXAFC-UHFFFAOYSA-N
DG66049	Diethyl 1-(1'-naphthyl)-1-(diphenylmethylamino)-methanephosphonate	24204395	NSC731721; NSC-731721; Diethyl 1-(1'-naphthyl)-1-(diphenylmethylamino)-methanephosphonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731721	.	.	.	.	459.5	C28H30NO3P	47.6	588	5.8	33	1	4	10	"InChI=1S/C28H30NO3P/c1-3-31-33(30,32-4-2)28(26-21-13-19-22-14-11-12-20-25(22)26)29-27(23-15-7-5-8-16-23)24-17-9-6-10-18-24/h5-21,27-29H,3-4H2,1-2H3"	CCOP(=O)(C(C1=CC=CC2=CC=CC=C21)NC(C3=CC=CC=C3)C4=CC=CC=C4)OCC	AYWDCPIOHASCIC-UHFFFAOYSA-N
DG66050	4-Trifluoromethyl-benzoic acid N-[1-biphenyl-4-sulfonyl)-piperidine-4-carbonyl]-hydrazide	24204399	NSC731726; NSC-731726; 4-Trifluoromethyl-benzoic acid N-[1-biphenyl-4-sulfonyl)-piperidine-4-carbonyl]-hydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731726	.	.	.	.	531.5	C26H24F3N3O4S	104	878	4.5	37	2	8	5	"InChI=1S/C26H24F3N3O4S/c27-26(28,29)22-10-6-20(7-11-22)24(33)30-31-25(34)21-14-16-32(17-15-21)37(35,36)23-12-8-19(9-13-23)18-4-2-1-3-5-18/h1-13,21H,14-17H2,(H,30,33)(H,31,34)"	C1CN(CCC1C(=O)NNC(=O)C2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4	VQMRNRSNLOCULG-UHFFFAOYSA-N
DG66051	"4-[5-(1,4-Benzoquinonyl)-3-p-tolyl-pyrazol-1-yl]benzenesulfonamide"	24204410	"CHEMBL2262476; NSC731745; NSC-731745; 4-[5-(1,4-benzoquinonyl)-3-p-tolyl-pyrazol-1-yl]benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731745	.	.	.	.	419.5	C22H17N3O4S	121	844	2.3	30	1	6	4	"InChI=1S/C22H17N3O4S/c1-14-2-4-15(5-3-14)20-13-21(19-12-17(26)8-11-22(19)27)25(24-20)16-6-9-18(10-7-16)30(23,28)29/h2-13H,1H3,(H2,23,28,29)"	CC1=CC=C(C=C1)C2=NN(C(=C2)C3=CC(=O)C=CC3=O)C4=CC=C(C=C4)S(=O)(=O)N	URKDNKMYDJCCMD-UHFFFAOYSA-N
DG66052	"4-[5-(1,4-Benzoquinonyl)-3-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide"	24204413	"CHEMBL2262477; NSC731748; NSC-731748; 4-[5-(1,4-benzoquinonyl)-3-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731748	.	.	.	.	439.9	C21H14ClN3O4S	121	850	2.5	30	1	6	4	"InChI=1S/C21H14ClN3O4S/c22-14-3-1-13(2-4-14)19-12-20(18-11-16(26)7-10-21(18)27)25(24-19)15-5-8-17(9-6-15)30(23,28)29/h1-12H,(H2,23,28,29)"	C1=CC(=CC=C1C2=NN(C(=C2)C3=CC(=O)C=CC3=O)C4=CC=C(C=C4)S(=O)(=O)N)Cl	DRJABONNZWUMCN-UHFFFAOYSA-N
DG66053	"3-(4-Chlorophenyl)-5-(2,5-dimethoxyphenyl)-1-phenylpyrazole"	24204419	"CHEMBL2262670; NSC731803; NSC-731803; 3-(4-chlorophenyl)-5-(2,5-dimethoxyphenyl)-1-phenylpyrazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731803	.	.	.	.	390.9	C23H19ClN2O2	36.3	479	5.8	28	0	3	5	"InChI=1S/C23H19ClN2O2/c1-27-19-12-13-23(28-2)20(14-19)22-15-21(16-8-10-17(24)11-9-16)25-26(22)18-6-4-3-5-7-18/h3-15H,1-2H3"	COC1=CC(=C(C=C1)OC)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl	YDLJGGIUQYIPPQ-UHFFFAOYSA-N
DG66054	"4-[3-(4-Chlorophenyl)-5-(2,5-dimethoxyphenyl)pyrazol-1-yl]benzenesulfonamide"	24204421	"SCHEMBL8123442; CHEMBL2262672; NSC731805; NSC-731805; 4-[3-(4-chlorophenyl)-5-(2,5-dimethoxyphenyl)pyrazol-1-yl]benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731805	.	.	.	.	469.9	C23H20ClN3O4S	105	705	4.4	32	1	6	6	"InChI=1S/C23H20ClN3O4S/c1-30-18-9-12-23(31-2)20(13-18)22-14-21(15-3-5-16(24)6-4-15)26-27(22)17-7-10-19(11-8-17)32(25,28)29/h3-14H,1-2H3,(H2,25,28,29)"	COC1=CC(=C(C=C1)OC)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)Cl	FFRBEYUQPOJYOG-UHFFFAOYSA-N
DG66055	"N-acetyl-4-[5-(2,5-dimethoxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide"	24204422	"CHEMBL2262673; NSC731806; NSC-731806; N-acetyl-4-[5-(2,5-dimethoxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731806	.	.	.	.	477.5	C25H23N3O5S	108	774	3.9	34	1	6	7	"InChI=1S/C25H23N3O5S/c1-17(29)27-34(30,31)21-12-9-19(10-13-21)28-24(16-23(26-28)18-7-5-4-6-8-18)22-15-20(32-2)11-14-25(22)33-3/h4-16H,1-3H3,(H,27,29)"	CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)OC)OC	CCVGHMCVJVQJQZ-UHFFFAOYSA-N
DG66056	"N-[4-[3-(4-chlorophenyl)-5-(2,5-dimethoxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide"	24204423	CHEMBL2262674; NSC731807; NSC-731807	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731807	.	.	.	.	512	C25H22ClN3O5S	108	808	4.5	35	1	6	7	"InChI=1S/C25H22ClN3O5S/c1-16(30)28-35(31,32)21-11-8-19(9-12-21)29-24(22-14-20(33-2)10-13-25(22)34-3)15-23(27-29)17-4-6-18(26)7-5-17/h4-15H,1-3H3,(H,28,30)"	CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=C(C=CC(=C4)OC)OC	YNWHICWLXCJMSU-UHFFFAOYSA-N
DG66057	Calendulaglycoside D2	24204446	Calendulaglycoside D2; NSC731921; NSC-731921	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731921	.	.	.	.	795	C42H66O14	233	1560	4.3	56	8	14	7	"InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21 ,22 ,23 ,24 ,25-,26 ,27 ,28 ,29 ,30 ,31 ,32 ,34 ,35 ,39 ,40+,41 ,42 /m0/s1"	C[C@@]12CCC3(CCC(CC3C1=CCC4C2(CCC5C4(CC[C@@H](C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)(C)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O	YOSRLTNUOCHBEA-JHUQDTEWSA-N
DG66058	haterumalide NA methyl esters	24204452	"634606-69-2; haterumalide NA methyl esters; DTXSID50639829; NSC731928; NSC-731928; Methyl (3E)-5-[(1R,5R,6Z,9Z,13R,15R)-5-(acetyloxy)-10-chloro-6-methyl-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731928	.	.	.	.	485	C24H33ClO8	108	815	2.8	33	1	8	7	"InChI=1S/C24H33ClO8/c1-14(11-22(28)30-4)10-19(27)24-21-12-18(32-24)9-8-17(25)7-5-6-15(2)20(31-16(3)26)13-23(29)33-21/h6-7,10,18-21,24,27H,5,8-9,11-13H2,1-4H3/b14-10+,15-6-,17-7-/t18-,19-,20-,21-,24-/m1/s1"	C/C/1=C/C/C=C(/CC[C@@H]2C[C@H]([C@H](O2)[C@@H](/C=C(\\C)/CC(=O)OC)O)OC(=O)C[C@H]1OC(=O)C)\\Cl	ONIIFUCGUYMWTD-IPUHWJITSA-N
DG66059	Haterumalide ring system	24204453	haterumalide ring system; NSC731929; NSC-731929	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731929	.	.	.	.	372.8	C18H25ClO6	82.1	556	1.9	25	1	6	3	"InChI=1S/C18H25ClO6/c1-11-4-3-5-13(19)6-7-14-8-16(17(10-20)24-14)25-18(22)9-15(11)23-12(2)21/h4-5,14-17,20H,3,6-10H2,1-2H3/b11-4-,13-5-/t14-,15-,16-,17-/m1/s1"	C/C/1=C/C/C=C(/CC[C@@H]2C[C@H]([C@H](O2)CO)OC(=O)C[C@H]1OC(=O)C)\\Cl	UIEQQRMCTQTUCP-WBNBLHGKSA-N
DG66060	"5'(2',2'-difluoro-2'-deoxycytidine) 5-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate"	24204454	"NSC731981; NSC-731981; 5'(2',2'-difluoro-2'-deoxycytidine) 5-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731981	.	.	.	.	571.9	C19H25ClF2N5O9P	186	955	0.3	37	2	12	12	"InChI=1S/C19H25ClF2N5O9P/c1-25(8-3-2-7-20)37(32,33-10-12-4-5-15(35-12)27(30)31)34-11-13-16(28)19(21,22)17(36-13)26-9-6-14(23)24-18(26)29/h4-6,9,13,16-17,28H,2-3,7-8,10-11H2,1H3,(H2,23,24,29)"	CN(CCCCCl)P(=O)(OCC1C(C(C(O1)N2C=CC(=NC2=O)N)(F)F)O)OCC3=CC=C(O3)[N+](=O)[O-]	VYOGFXOEPZYEJF-UHFFFAOYSA-N
DG66061	Ethyl-1-amino-5-{[1-methyl-5-nitro-1H-indol-2-yl) carbonyl] amino}-1H-indole-2-carboxylate	24204472	NSC732001; NSC-732001; Ethyl-1-amino-5-{[1-methyl-5-nitro-1H-indol-2-yl) carbonyl] amino}-1H-indole-2-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732001	.	.	.	.	420.4	C22H20N4O5	111	713	3.6	31	1	5	5	"InChI=1S/C22H20N4O5/c1-4-31-22(28)20-12-13-9-15(5-7-17(13)25(20)3)23-21(27)19-11-14-10-16(26(29)30)6-8-18(14)24(19)2/h5-12H,4H2,1-3H3,(H,23,27)"	CCOC(=O)C1=CC2=C(N1C)C=CC(=C2)NC(=O)C3=CC4=C(N3C)C=CC(=C4)[N+](=O)[O-]	AKIUCTJFIQCQLX-UHFFFAOYSA-N
DG66062	Methyl-1-methyl-4-[1-methyl-4-(1-methyl-5-nitro-3-carboxamid o)-pyrrole-2-carboxamido]-2-carboxylate	24204476	NSC732004; NSC-732004; Methyl-1-methyl-4-[1-methyl-4-(1-methyl-5-nitro-3-carboxamid o)-pyrrole-2-carboxamido]-2-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732004	.	.	.	.	428.4	C19H20N6O6	145	729	0.5	31	2	6	6	"InChI=1S/C19H20N6O6/c1-22-9-12(20-17(26)11-5-16(25(29)30)24(3)8-11)6-14(22)18(27)21-13-7-15(19(28)31-4)23(2)10-13/h5-10H,1-4H3,(H,20,26)(H,21,27)"	CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)OC)C)NC(=O)C3=CN(C(=C3)[N+](=O)[O-])C	CYFUQNDPSWYVTQ-UHFFFAOYSA-N
DG66063	"(1S,4S,6S,9E,13R,14R)-13-hydroxy-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one"	24204492	NSC732061; NSC-732061	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732061	.	.	.	.	334.4	C20H30O4	59.1	566	3	24	1	4	0	"InChI=1S/C20H30O4/c1-13-6-5-10-19(3,22)17-12-15(14(2)18(21)23-17)9-11-20(4)16(24-20)8-7-13/h6,15-17,22H,2,5,7-12H2,1,3-4H3/b13-6+/t15-,16-,17+,19+,20-/m0/s1"	C/C/1=C\\CC[C@@]([C@H]2C[C@H](CC[C@]3([C@@H](O3)CC1)C)C(=C)C(=O)O2)(C)O	YKKJETNBRNDYKN-XAFJVBEQSA-N
DG66064	6-Chloro-7-{[4-(chloromethyl)phenyl]methyl}-7H-purine	24204506	"924904-15-4; 6-Chloro-7-(4-(chloromethyl)benzyl)-7H-purine; N/A.; CHEMBL2262433; DTXSID60639830; NSC732087; ZINC90500356; AKOS030559734; NSC-732087; 6-Chloro-7-{[4-(chloromethyl)phenyl]methyl}-7H-purine; Benzeneacetic acid, alpha-methyl-alpha-propyl-, Methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732087	.	.	.	.	293.15	C13H10Cl2N4	43.6	296	3	19	0	3	3	"InChI=1S/C13H10Cl2N4/c14-5-9-1-3-10(4-2-9)6-19-8-18-13-11(19)12(15)16-7-17-13/h1-4,7-8H,5-6H2"	C1=CC(=CC=C1CN2C=NC3=C2C(=NC=N3)Cl)CCl	ZWJCVKMMYBZQLN-UHFFFAOYSA-N
DG66065	"6-Chloro-9-[[3-(chloromethyl)-2,4,6-trimethylphenyl]methyl]purine"	24204509	NSC732090; NSC-732090	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732090	.	.	.	.	335.2	C16H16Cl2N4	43.6	383	4.5	22	0	3	3	"InChI=1S/C16H16Cl2N4/c1-9-4-10(2)13(11(3)12(9)5-17)6-22-8-21-14-15(18)19-7-20-16(14)22/h4,7-8H,5-6H2,1-3H3"	CC1=CC(=C(C(=C1CN2C=NC3=C2N=CN=C3Cl)C)CCl)C	IQGGXLREDJRWQF-UHFFFAOYSA-N
DG66066	5-Bromo-7-hydroxy-6-methoxy-benzofuran-2-carboxylic acid methyl ester	24204520	NSC732109; NSC-732109; 5-bromo-7-hydroxy-6-methoxy-benzofuran-2-carboxylic acid methyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732109	.	.	.	.	315.12	C12H11BrO5	68.9	324	3.2	18	1	5	3	"InChI=1S/C12H11BrO5/c1-5-6-4-7(13)11(16-2)8(14)10(6)18-9(5)12(15)17-3/h4,14H,1-3H3"	CC1=C(OC2=C(C(=C(C=C12)Br)OC)O)C(=O)OC	YLMDLKJVHWRZOO-UHFFFAOYSA-N
DG66067	methyl 6-[2-(diethylamino)ethoxy]-7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carboxylate;hydrochloride	24204523	NSC732112; NSC-732112; 6-(O-ethyl-2 -diethylamino)-7-(p-methoxycinnamoyl)-3-methyl- benzofuran-2-carboxylic acid ethyl ester hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732112	.	.	.	.	502	C27H32ClNO6	78.2	685	.	35	1	7	12	"InChI=1S/C27H31NO6.ClH/c1-6-28(7-2)16-17-33-23-15-13-21-18(3)25(27(30)32-5)34-26(21)24(23)22(29)14-10-19-8-11-20(31-4)12-9-19;/h8-15H,6-7,16-17H2,1-5H3;1H/b14-10+;"	CCN(CC)CCOC1=C(C2=C(C=C1)C(=C(O2)C(=O)OC)C)C(=O)/C=C/C3=CC=C(C=C3)OC.Cl	YNUHRLKNTQNFBQ-KMZJGFRYSA-N
DG66068	Methyl 6-acetyl-5-(2-diethylaminoethyloxy)-2-methyl-benzofuran-3-carboxylate	24204525	"NSC732113; NSC-732113; 6-Acetyl-5-(O-ethyl-2 -diethylamino)-2-methyl-benzofuran-3-c arboxylic acid methyl ester; methyl 6-acetyl-5-(2-diethylaminoethyloxy)-2-methyl-benzofuran-3-carboxylate; methyl 6-acetyl-5-[2-(N,N-diethylamino)ethoxy]-2-methyl-3-benzofurancarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732113	.	.	.	.	347.4	C19H25NO5	69	465	3	25	0	6	9	"InChI=1S/C19H25NO5/c1-6-20(7-2)8-9-24-16-11-15-17(10-14(16)12(3)21)25-13(4)18(15)19(22)23-5/h10-11H,6-9H2,1-5H3"	CCN(CC)CCOC1=C(C=C2C(=C1)C(=C(O2)C)C(=O)OC)C(=O)C	LLRKPPKHCYSLCN-UHFFFAOYSA-N
DG66069	Methyl 5-bromo-7-[2-(diethylamino)ethoxy]-6-methoxy-3-methyl-1-benzofuran-2-carboxylate	24204526	NSC732114; NSC-732114; 5-Bromo-7-(O-ethyl-2 -diethylamino)-6-methoxy-benzofuran-2-c arboxylic acid methyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732114	.	.	.	.	414.3	C18H24BrNO5	61.1	434	4.3	25	0	6	9	"InChI=1S/C18H24BrNO5/c1-6-20(7-2)8-9-24-17-15-12(10-13(19)16(17)22-4)11(3)14(25-15)18(21)23-5/h10H,6-9H2,1-5H3"	CCN(CC)CCOC1=C2C(=CC(=C1OC)Br)C(=C(O2)C(=O)OC)C	FGGRFLRQPQOIOL-UHFFFAOYSA-N
DG66070	"2-[(E)-(6-thiophen-2-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	24204543	NSC732175; NSC-732175	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732175	.	.	.	.	328.8	C11H13ClN6S2	148	383	.	20	3	5	3	"InChI=1S/C11H12N6S2.ClH/c12-10(13)16-14-6-7-9(8-2-1-4-18-8)15-11-17(7)3-5-19-11;/h1-2,4,6H,3,5H2,(H4,12,13,16);1H/b14-6+;"	C1CSC2=NC(=C(N21)/C=N/N=C(N)N)C3=CC=CS3.Cl	XRJFHQRSYWLVIE-JSSTZBRYSA-N
DG66071	"2-[(E)-(6-thiophen-3-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	24204545	NSC732176; NSC-732176	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732176	.	.	.	.	328.8	C11H13ClN6S2	148	383	.	20	3	5	3	"InChI=1S/C11H12N6S2.ClH/c12-10(13)16-14-5-8-9(7-1-3-18-6-7)15-11-17(8)2-4-19-11;/h1,3,5-6H,2,4H2,(H4,12,13,16);1H/b14-5+;"	C1CSC2=NC(=C(N21)/C=N/N=C(N)N)C3=CSC=C3.Cl	YDPKLHLTWULYFQ-OCSIRBNJSA-N
DG66072	"2-[(E)-[6-(2,5-dichlorothiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	24204547	NSC732177; NSC-732177	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732177	.	.	.	.	397.7	C11H11Cl3N6S2	148	446	.	22	3	5	3	"InChI=1S/C11H10Cl2N6S2.ClH/c12-7-3-5(9(13)21-7)8-6(4-16-18-10(14)15)19-1-2-20-11(19)17-8;/h3-4H,1-2H2,(H4,14,15,18);1H/b16-4+;"	C1CSC2=NC(=C(N21)/C=N/N=C(N)N)C3=C(SC(=C3)Cl)Cl.Cl	DIRJYKYODNDOCZ-CQCNNJTASA-N
DG66073	"2-[(E)-(2-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	24204549	NSC732178; NSC-732178	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732178	.	.	.	.	340.9	C12H13ClN6S2	151	411	.	21	3	5	3	"InChI=1S/C12H12N6S2.ClH/c1-7-6-18-8(5-15-17-11(13)14)10(16-12(18)20-7)9-3-2-4-19-9;/h2-6H,1H3,(H4,13,14,17);1H/b15-5+;"	CC1=CN2C(=C(N=C2S1)C3=CC=CS3)/C=N/N=C(N)N.Cl	PBDGMDIDQMHKPU-GBDQXREISA-N
DG66074	"2-[(E)-(2-methyl-6-thiophen-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	24204551	NSC732179; NSC-732179	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732179	.	.	.	.	340.9	C12H13ClN6S2	151	411	.	21	3	5	3	"InChI=1S/C12H12N6S2.ClH/c1-7-5-18-9(4-15-17-11(13)14)10(16-12(18)20-7)8-2-3-19-6-8;/h2-6H,1H3,(H4,13,14,17);1H/b15-4+;"	CC1=CN2C(=C(N=C2S1)C3=CSC=C3)/C=N/N=C(N)N.Cl	PQRZFBZEIKRJBT-HDNKIUSMSA-N
DG66075	"2-[(E)-[6-(2,5-dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	24204555	NSC-732181; CHEMBL1910757; NSC732181	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732181	.	.	.	.	395.7	C11H9Cl3N6S2	151	446	.	22	3	5	3	"InChI=1S/C11H8Cl2N6S2.ClH/c12-7-3-5(9(13)21-7)8-6(4-16-18-10(14)15)19-1-2-20-11(19)17-8;/h1-4H,(H4,14,15,18);1H/b16-4+;"	C1=CSC2=NC(=C(N21)/C=N/N=C(N)N)C3=C(SC(=C3)Cl)Cl.Cl	SUWSJVKZXQFVBW-CQCNNJTASA-N
DG66076	NSC732183	24204559	"N-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide; NSC732183; NSC-732183"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732183	.	.	.	.	530.8	C17H17BrClN7O4S	159	696	.	31	3	8	6	"InChI=1S/C17H16ClN7O4S.BrH/c1-28-12-6-10(25(26)27)13(29-2)5-9(12)15-11(7-21-23-16-19-3-4-20-16)24-8-14(18)30-17(24)22-15;/h5-8H,3-4H2,1-2H3,(H2,19,20,23);1H/b21-7+;"	COC1=CC(=C(C=C1C2=C(N3C=C(SC3=N2)Cl)/C=N/NC4=NCCN4)OC)[N+](=O)[O-].Br	PGZUQYANSPRCFK-RTXBPYFBSA-N
DG66077	"N-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]pyridin-2-amine;hydrochloride"	24204563	NSC732185; NSC-732185	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732185	.	.	.	.	495.3	C19H16Cl2N6O4S	147	657	.	32	2	9	6	"InChI=1S/C19H15ClN6O4S.ClH/c1-29-14-8-12(26(27)28)15(30-2)7-11(14)18-13(25-10-16(20)31-19(25)23-18)9-22-24-17-5-3-4-6-21-17;/h3-10H,1-2H3,(H,21,24);1H/b22-9+;"	COC1=CC(=C(C=C1C2=C(N3C=C(SC3=N2)Cl)/C=N/NC4=CC=CC=N4)OC)[N+](=O)[O-].Cl	QTIRMKAJKIYJTK-PXSFLOMMSA-N
DG66078	"(3E)-3-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1H-indol-2-one"	24204572	CHEMBL457932; NSC732191; NSC-732191	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732191	.	.	.	.	392.9	C20H13ClN4OS	87.5	623	4.5	27	1	4	2	"InChI=1S/C20H13ClN4OS/c1-11-24-25-17(10-15-14-4-2-3-5-16(14)22-19(15)26)18(23-20(25)27-11)12-6-8-13(21)9-7-12/h2-10H,1H3,(H,22,26)/b15-10+"	CC1=NN2C(=C(N=C2S1)C3=CC=C(C=C3)Cl)/C=C/4\\C5=CC=CC=C5NC4=O	YLLMBFRLPCWIHH-XNTDXEJSSA-N
DG66079	"(3E)-3-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one"	24204573	CHEMBL486947; NSC732192; NSC-732192	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732192	.	.	.	.	391.9	C21H14ClN3OS	74.6	621	5.6	27	1	3	2	"InChI=1S/C21H14ClN3OS/c1-12-11-25-18(10-16-15-4-2-3-5-17(15)23-20(16)26)19(24-21(25)27-12)13-6-8-14(22)9-7-13/h2-11H,1H3,(H,23,26)/b16-10+"	CC1=CN2C(=C(N=C2S1)C3=CC=C(C=C3)Cl)/C=C/4\\C5=CC=CC=C5NC4=O	LMDQYKKGNZYMBB-MHWRWJLKSA-N
DG66080	1'-beta-(5-ethynyl-4-carboxamido-1-imidazolyl)-D-ribosyl 5-nitrofuryl N-methyl-N-(4-chlorobutyl) phosphoramidate	24204578	NSC732226; NSC-732226; 1'-beta-(5-ethynyl-4-carboxamido-1-imidazolyl)-D-ribosyl 5-nitrofuryl N-methyl-N-(4-chlorobutyl) phosphoramidate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732226	.	.	.	.	575.9	C21H27ClN5O10P	208	934	-0.4	38	3	12	14	"InChI=1S/C21H27ClN5O10P/c1-3-14-17(20(23)30)24-12-26(14)21-19(29)18(28)15(37-21)11-35-38(33,25(2)9-5-4-8-22)34-10-13-6-7-16(36-13)27(31)32/h1,6-7,12,15,18-19,21,28-29H,4-5,8-11H2,2H3,(H2,23,30)"	CN(CCCCCl)P(=O)(OCC1C(C(C(O1)N2C=NC(=C2C#C)C(=O)N)O)O)OCC3=CC=C(O3)[N+](=O)[O-]	ADAUASBJUPIOLB-UHFFFAOYSA-N
DG66081	4-{[2-Ethoxy-6-methyl-4-oxo-chroman-ylidenemethyl]-amino}-be nzamide	24204580	NSC732252; NSC-732252; 4-{[2-Ethoxy-6-methyl-4-oxo-chroman-ylidenemethyl]-amino}-be nzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732252	.	.	.	.	352.4	C20H20N2O4	90.6	554	2.6	26	2	5	5	"InChI=1S/C20H20N2O4/c1-3-25-20-16(11-22-14-7-5-13(6-8-14)19(21)24)18(23)15-10-12(2)4-9-17(15)26-20/h4-11,20,22H,3H2,1-2H3,(H2,21,24)/b16-11+"	CCOC1/C(=C/NC2=CC=C(C=C2)C(=O)N)/C(=O)C3=C(O1)C=CC(=C3)C	GXIDETNWEHHODM-LFIBNONCSA-N
DG66082	NSC732277	24204592	"methyl 6-benzyl-2-[(E)-[3-(diacetylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furo[2,3-b]pyrrole-5-carboxylate; NSC732277; NSC-732277"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732277	.	.	.	.	497.5	C23H19N3O6S2	159	904	3.7	34	0	8	5	"InChI=1S/C23H19N3O6S2/c1-13(27)25(14(2)28)26-20(29)19(34-23(26)33)11-17-9-16-10-18(22(30)31-3)24(21(16)32-17)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3/b19-11+"	CC(=O)N(C(=O)C)N1C(=O)/C(=C\\C2=CC3=C(O2)N(C(=C3)C(=O)OC)CC4=CC=CC=C4)/SC1=S	XJICINTZDUMAOB-YBFXNURJSA-N
DG66083	2-(5-Chloro-2-methyl-anilino)-6-(trifluoromethyl)pyridine-3-carboxamide	24204601	CHEMBL404952; NSC732287; NSC-732287; 2-(5-chloro-2-methyl-anilino)-6-(trifluoromethyl)pyridine-3-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732287	.	.	.	.	329.7	C14H11ClF3N3O	68	407	4.1	22	2	6	3	"InChI=1S/C14H11ClF3N3O/c1-7-2-3-8(15)6-10(7)20-13-9(12(19)22)4-5-11(21-13)14(16,17)18/h2-6H,1H3,(H2,19,22)(H,20,21)"	CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N	ZQDOAXCERUPUFD-UHFFFAOYSA-N
DG66084	"(1R,2S,6R,7S)-5-hydroxy-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one"	24204611	NSC732298; NSC-732298	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732298	.	.	.	.	170.16	C8H10O4	55.8	239	-0.2	12	1	4	0	"InChI=1S/C8H10O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-7,9H,1-2H2/t3-,4+,5-,6+,7 /m0/s1"	C1C[C@@H]2[C@@H]3[C@H]([C@H]1O2)C(OC3=O)O	RVXZUWLWZREXRM-GKYMIPFJSA-N
DG66085	"(1R,2S,6R,7S)-5-ethoxy-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one"	24204612	"CHEMBL47461; BDBM50090506; NSC732299; NSC-732299; (1R,2S,6R,7S)-5-Ethoxy-4,10-dioxa-tricyclo[5.2.1.0*2,6*]decan-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732299	.	.	.	.	198.22	C10H14O4	44.8	265	0.7	14	0	4	2	"InChI=1S/C10H14O4/c1-2-12-10-8-6-4-3-5(13-6)7(8)9(11)14-10/h5-8,10H,2-4H2,1H3/t5-,6+,7-,8+,10 /m1/s1"	CCOC1[C@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O1)O3	PWPOIJNVVZDGIH-VITGYUQNSA-N
DG66086	"4-(3a,4-Dihydro-3-(2-thienyl)-3h-indeno[1,2-c]pyrazol-2-yl)-benzene-sulfonamide"	24204638	"CHEMBL2263251; NSC732390; NSC-732390; 4-(3a,4-dihydro-3-(2-thienyl)-3h-indeno[1,2-c]pyrazol-2-yl)-benzene-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732390	.	.	.	.	395.5	C20H17N3O2S2	112	697	3.4	27	1	6	3	"InChI=1S/C20H17N3O2S2/c21-27(24,25)15-9-7-14(8-10-15)23-20(18-6-3-11-26-18)17-12-13-4-1-2-5-16(13)19(17)22-23/h1-11,17,20H,12H2,(H2,21,24,25)"	C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)N)C5=CC=CS5	MPPNHFUJLAPHKV-UHFFFAOYSA-N
DG66087	"1-phenyl-3-[4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylthiourea"	24204641	CHEMBL2263482; NSC732393; NSC-732393	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732393	.	.	.	.	530.7	C27H22N4O2S3	143	937	6.1	36	2	6	5	"InChI=1S/C27H22N4O2S3/c32-36(33,30-27(34)28-19-8-2-1-3-9-19)21-14-12-20(13-15-21)31-26(24-11-6-16-35-24)23-17-18-7-4-5-10-22(18)25(23)29-31/h1-16,23,26H,17H2,(H2,28,30,34)"	C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)NC(=S)NC5=CC=CC=C5)C6=CC=CS6	JYCMGFZEHOILAU-UHFFFAOYSA-N
DG66088	"N-[[4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylcarbamothioyl]benzamide"	24204642	CHEMBL2263483; NSC732394; NSC-732394	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732394	.	.	.	.	558.7	C28H22N4O3S3	160	1030	6	38	2	7	5	"InChI=1S/C28H22N4O3S3/c33-27(18-7-2-1-3-8-18)29-28(36)31-38(34,35)21-14-12-20(13-15-21)32-26(24-11-6-16-37-24)23-17-19-9-4-5-10-22(19)25(23)30-32/h1-16,23,26H,17H2,(H2,29,31,33,36)"	C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)NC(=S)NC(=O)C5=CC=CC=C5)C6=CC=CS6	FDWBXUKGRJIEII-UHFFFAOYSA-N
DG66089	"(NE)-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide"	24204649	NSC732401; NSC-732401	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732401	.	.	.	.	630.8	C35H26N4O2S3	127	1240	7.9	44	0	7	6	"InChI=1S/C35H26N4O2S3/c40-44(41,37-35-38(26-13-5-2-6-14-26)31(23-43-35)24-10-3-1-4-11-24)28-19-17-27(18-20-28)39-34(32-16-9-21-42-32)30-22-25-12-7-8-15-29(25)33(30)36-39/h1-21,23,30,34H,22H2/b37-35+"	C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)/N=C/5\\N(C(=CS5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CS8	JIBSJWOKGFTYCU-MHAUTQJVSA-N
DG66090	"(NE)-N-(5-oxo-3-phenyl-1,3-thiazinan-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide"	24204650	NSC732402; NSC-732402	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732402	.	.	.	.	584.7	C30H24N4O3S3	144	1120	6.2	40	0	8	5	"InChI=1S/C30H24N4O3S3/c35-23-18-33(21-8-2-1-3-9-21)30(39-19-23)32-40(36,37)24-14-12-22(13-15-24)34-29(27-11-6-16-38-27)26-17-20-7-4-5-10-25(20)28(26)31-34/h1-16,26,29H,17-19H2/b32-30+"	C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)/N=C/5\\N(CC(=O)CS5)C6=CC=CC=C6)C7=CC=CS7	UOSBZFAOACWLQM-NHQGMKOOSA-N
DG66091	NSC732404	24204652	"(NZ)-N-(3-benzoyl-4-phenyl-1,3-thiazol-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide; CHEMBL2263486; NSC732404; NSC-732404"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732404	.	.	.	.	658.8	C36H26N4O3S3	144	1340	7.8	46	0	8	6	"InChI=1S/C36H26N4O3S3/c41-35(25-12-5-2-6-13-25)39-31(24-10-3-1-4-11-24)23-45-36(39)38-46(42,43)28-19-17-27(18-20-28)40-34(32-16-9-21-44-32)30-22-26-14-7-8-15-29(26)33(30)37-40/h1-21,23,30,34H,22H2/b38-36-"	C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)/N=C\\5/N(C(=CS5)C6=CC=CC=C6)C(=O)C7=CC=CC=C7)C8=CC=CS8	FOFXLQUHNSTOPF-WASYMBJWSA-N
DG66092	NSC732405	24204653	"(NZ)-N-(3-benzoyl-4-oxo-1,3-thiazinan-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide; CHEMBL2263488; NSC732405; NSC-732405"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732405	.	.	.	.	612.7	C31H24N4O4S3	161	1220	5.9	42	0	9	5	"InChI=1S/C31H24N4O4S3/c36-27-16-18-41-31(34(27)30(37)20-7-2-1-3-8-20)33-42(38,39)23-14-12-22(13-15-23)35-29(26-11-6-17-40-26)25-19-21-9-4-5-10-24(21)28(25)32-35/h1-15,17,25,29H,16,18-19H2/b33-31-"	C1CS/C(=N\\S(=O)(=O)C2=CC=C(C=C2)N3C(C4CC5=CC=CC=C5C4=N3)C6=CC=CS6)/N(C1=O)C(=O)C7=CC=CC=C7	MCXNHKYNJCADQB-FPODKLOTSA-N
DG66093	"4-(3-thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide"	24204664	CHEMBL2259673; NSC732416; NSC-732416	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732416	.	.	.	.	393.5	C20H15N3O2S2	115	644	3.5	27	1	5	3	"InChI=1S/C20H15N3O2S2/c21-27(24,25)15-9-7-14(8-10-15)23-20(18-6-3-11-26-18)17-12-13-4-1-2-5-16(13)19(17)22-23/h1-11H,12H2,(H2,21,24,25)"	C1C2=CC=CC=C2C3=NN(C(=C31)C4=CC=CS4)C5=CC=C(C=C5)S(=O)(=O)N	UKMPQSFMFAXXFL-UHFFFAOYSA-N
DG66094	"1-phenyl-3-[4-(3-thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylurea"	24204665	CHEMBL2263481; NSC732417; NSC-732417	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732417	.	.	.	.	512.6	C27H20N4O3S2	130	882	5.6	36	2	5	5	"InChI=1S/C27H20N4O3S2/c32-27(28-19-8-2-1-3-9-19)30-36(33,34)21-14-12-20(13-15-21)31-26(24-11-6-16-35-24)23-17-18-7-4-5-10-22(18)25(23)29-31/h1-16H,17H2,(H2,28,30,32)"	C1C2=CC=CC=C2C3=NN(C(=C31)C4=CC=CS4)C5=CC=C(C=C5)S(=O)(=O)NC(=O)NC6=CC=CC=C6	APAXIOIBXNLKJM-UHFFFAOYSA-N
DG66095	ethyl 3-[1-[[(1S)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]indole-1-carboxylate	24204667	NSC732427; NSC-732427	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732427	.	.	.	.	378.5	C23H26N2O3	63.5	506	4	28	2	4	9	"InChI=1S/C23H26N2O3/c1-3-10-20(24-21(16-26)17-11-6-5-7-12-17)19-15-25(23(27)28-4-2)22-14-9-8-13-18(19)22/h3,5-9,11-15,20-21,24,26H,1,4,10,16H2,2H3/t20 ,21-/m1/s1"	CCOC(=O)N1C=C(C2=CC=CC=C21)C(CC=C)N[C@H](CO)C3=CC=CC=C3	OSXLLUZZWLMSAV-BPGUCPLFSA-N
DG66096	(2S)-2-[1-[1-(4-methylphenyl)sulfonylindol-3-yl]but-3-enylamino]-2-phenylethanol	24204669	NSC732429; NSC-732429	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732429	.	.	.	.	460.6	C27H28N2O3S	79.7	722	4.9	33	2	4	9	"InChI=1S/C27H28N2O3S/c1-3-9-25(28-26(19-30)21-10-5-4-6-11-21)24-18-29(27-13-8-7-12-23(24)27)33(31,32)22-16-14-20(2)15-17-22/h3-8,10-18,25-26,28,30H,1,9,19H2,2H3/t25 ,26-/m1/s1"	CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(CC=C)N[C@H](CO)C4=CC=CC=C4	UCHUFZZTDAHJQQ-FXDYGKIASA-N
DG66097	"5[2-(3,2-b]In dol-10-one"	24204670	"CHEMBL1957206; 5[2-(3,2-b]in dol-10-one; NSC732430; NSC-732430"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732430	.	.	.	.	399.4	C25H21NO4	60.7	626	4.7	30	1	4	5	"InChI=1S/C25H21NO4/c1-29-20-11-10-15(14-21(20)30-2)12-13-26-18-8-5-9-19(27)22(18)23-24(26)16-6-3-4-7-17(16)25(23)28/h3-11,14,27H,12-13H2,1-2H3"	COC1=C(C=C(C=C1)CCN2C3=C(C(=CC=C3)O)C4=C2C5=CC=CC=C5C4=O)OC	ZYFLRTZQQARDEX-UHFFFAOYSA-N
DG66098	"N-[2-(dimethylamino)ethyl]-4-(furo[3,2-c]quinolin-4-ylamino)benzamide"	24204686	NSC732490; NSC-732490	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732490	.	.	.	.	374.4	C22H22N4O2	70.4	521	3.8	28	2	5	6	"InChI=1S/C22H22N4O2/c1-26(2)13-12-23-22(27)15-7-9-16(10-8-15)24-21-18-11-14-28-20(18)17-5-3-4-6-19(17)25-21/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,25)"	CN(C)CCNC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4	XUQUZUKINCJCRA-UHFFFAOYSA-N
DG66099	"4-(furo[3,2-c]quinolin-4-ylamino)-N-[2-(2-hydroxyethylamino)ethyl]benzamide"	24204687	NSC732491; NSC-732491	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732491	.	.	.	.	390.4	C22H22N4O3	99.4	526	2.6	29	4	6	8	"InChI=1S/C22H22N4O3/c27-13-12-23-10-11-24-22(28)15-5-7-16(8-6-15)25-21-18-9-14-29-20(18)17-3-1-2-4-19(17)26-21/h1-9,14,23,27H,10-13H2,(H,24,28)(H,25,26)"	C1=CC=C2C(=C1)C3=C(C=CO3)C(=N2)NC4=CC=C(C=C4)C(=O)NCCNCCO	OGYQXUQGTBEJTK-UHFFFAOYSA-N
DG66100	"4-(furo[3,2-c]quinolin-4-ylamino)-N-(2-piperazin-1-ylethyl)benzamide"	24204688	NSC732492; NSC-732492	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732492	.	.	.	.	415.5	C24H25N5O2	82.4	591	3.1	31	3	6	6	"InChI=1S/C24H25N5O2/c30-24(26-12-15-29-13-10-25-11-14-29)17-5-7-18(8-6-17)27-23-20-9-16-31-22(20)19-3-1-2-4-21(19)28-23/h1-9,16,25H,10-15H2,(H,26,30)(H,27,28)"	C1CN(CCN1)CCNC(=O)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4C5=C3C=CO5	ZDTDUATXVXDAAE-UHFFFAOYSA-N
DG66101	"4-(furo[3,2-c]quinolin-4-ylamino)-N-[(2S)-octan-2-yl]benzamide"	24204689	NSC732493; NSC-732493	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732493	.	.	.	.	415.5	C26H29N3O2	67.2	563	7.1	31	2	4	9	"InChI=1S/C26H29N3O2/c1-3-4-5-6-9-18(2)27-26(30)19-12-14-20(15-13-19)28-25-22-16-17-31-24(22)21-10-7-8-11-23(21)29-25/h7-8,10-18H,3-6,9H2,1-2H3,(H,27,30)(H,28,29)/t18-/m0/s1"	CCCCCC[C@H](C)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4	QXFQLSQLKJRLMT-SFHVURJKSA-N
DG66102	"4-(furo[3,2-c]quinolin-4-ylamino)-N-[(2R)-octan-2-yl]benzamide"	24204690	NSC732494; NSC-732494	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732494	.	.	.	.	415.5	C26H29N3O2	67.2	563	7.1	31	2	4	9	"InChI=1S/C26H29N3O2/c1-3-4-5-6-9-18(2)27-26(30)19-12-14-20(15-13-19)28-25-22-16-17-31-24(22)21-10-7-8-11-23(21)29-25/h7-8,10-18H,3-6,9H2,1-2H3,(H,27,30)(H,28,29)/t18-/m1/s1"	CCCCCC[C@@H](C)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4	QXFQLSQLKJRLMT-GOSISDBHSA-N
DG66103	"N-[(2S)-octan-2-yl]furo[3,2-c]quinolin-4-amine"	24204691	NSC732495; NSC-732495	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732495	.	.	.	.	296.4	C19H24N2O	38.1	335	6.2	22	1	3	7	"InChI=1S/C19H24N2O/c1-3-4-5-6-9-14(2)20-19-16-12-13-22-18(16)15-10-7-8-11-17(15)21-19/h7-8,10-14H,3-6,9H2,1-2H3,(H,20,21)/t14-/m0/s1"	CCCCCC[C@H](C)NC1=NC2=CC=CC=C2C3=C1C=CO3	WVPYOFPSJXVRPA-AWEZNQCLSA-N
DG66104	"N-[(2R)-octan-2-yl]furo[3,2-c]quinolin-4-amine"	24204692	NSC732496; NSC-732496	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732496	.	.	.	.	296.4	C19H24N2O	38.1	335	6.2	22	1	3	7	"InChI=1S/C19H24N2O/c1-3-4-5-6-9-14(2)20-19-16-12-13-22-18(16)15-10-7-8-11-17(15)21-19/h7-8,10-14H,3-6,9H2,1-2H3,(H,20,21)/t14-/m1/s1"	CCCCCC[C@@H](C)NC1=NC2=CC=CC=C2C3=C1C=CO3	WVPYOFPSJXVRPA-CQSZACIVSA-N
DG66105	"Indolizino[2,3-b]quinoxaline"	24204693	"indolizino[2,3-b]quinoxaline; NSC732497; NSC-732497"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732497	.	.	.	.	219.24	C14H9N3	30.2	293	3.5	17	0	2	0	InChI=1S/C14H9N3/c1-2-7-12-11(6-1)15-13-9-10-5-3-4-8-17(10)14(13)16-12/h1-9H	C1=CC=C2C(=C1)N=C3C=C4C=CC=CN4C3=N2	YNRRTISNKYYOPB-UHFFFAOYSA-N
DG66106	"3-(dimethylamino)-N-(indolizino[2,3-b]quinoxalin-12-ylmethyl)propanamide"	24204700	NSC732504; NSC-732504	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732504	.	.	.	.	347.4	C20H21N5O	62.5	499	2.6	26	1	4	5	"InChI=1S/C20H21N5O/c1-24(2)12-10-18(26)21-13-14-17-9-5-6-11-25(17)20-19(14)22-15-7-3-4-8-16(15)23-20/h3-9,11H,10,12-13H2,1-2H3,(H,21,26)"	CN(C)CCC(=O)NCC1=C2C=CC=CN2C3=NC4=CC=CC=C4N=C13	LDCJDHRRYDWENQ-UHFFFAOYSA-N
DG66107	"6-[(3-Methoxyphenyl)iminomethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one"	24204703	NSC732507; NSC-732507	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732507	.	.	.	.	368.4	C23H16N2O3	51.1	673	3.9	28	0	4	3	"InChI=1S/C23H16N2O3/c1-27-16-8-6-7-15(13-16)24-14-19-17-9-2-3-10-18(17)22(26)25-20-11-4-5-12-21(20)28-23(19)25/h2-14H,1H3"	COC1=CC=CC(=C1)N=CC2=C3N(C4=CC=CC=C4O3)C(=O)C5=CC=CC=C52	WXOZQEIZTZBEEF-UHFFFAOYSA-N
DG66108	"6-[[3-(1-Hydroxyethyl)anilino]methyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one"	24204704	NSC732508; NSC-732508	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732508	.	.	.	.	384.4	C24H20N2O3	61.8	663	3.4	29	2	4	4	"InChI=1S/C24H20N2O3/c1-15(27)16-7-6-8-17(13-16)25-14-20-18-9-2-3-10-19(18)23(28)26-21-11-4-5-12-22(21)29-24(20)26/h2-13,15,25,27H,14H2,1H3"	CC(C1=CC(=CC=C1)NCC2=C3N(C4=CC=CC=C4O3)C(=O)C5=CC=CC=C52)O	SWSHDRUMXGQHGL-UHFFFAOYSA-N
DG66109	"(E)-4-(4-chloro-N-phenacylanilino)-1,1,1-trifluorobut-3-en-2-one"	24204717	NSC732545; NSC-732545	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732545	.	.	.	.	367.7	C18H13ClF3NO2	37.4	493	5	25	0	6	6	"InChI=1S/C18H13ClF3NO2/c19-14-6-8-15(9-7-14)23(11-10-17(25)18(20,21)22)12-16(24)13-4-2-1-3-5-13/h1-11H,12H2/b11-10+"	C1=CC=C(C=C1)C(=O)CN(/C=C/C(=O)C(F)(F)F)C2=CC=C(C=C2)Cl	XPWVRQXOVOIMPF-ZHACJKMWSA-N
DG66110	"4-[(4-chlorophenyl)methyl-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoic acid"	24204721	NSC732549; NSC-732549	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732549	.	.	.	.	383.7	C18H13ClF3NO3	57.6	522	4.6	26	1	7	6	"InChI=1S/C18H13ClF3NO3/c19-14-5-1-12(2-6-14)11-23(10-9-16(24)18(20,21)22)15-7-3-13(4-8-15)17(25)26/h1-10H,11H2,(H,25,26)/b10-9+"	C1=CC(=CC=C1CN(/C=C/C(=O)C(F)(F)F)C2=CC=C(C=C2)C(=O)O)Cl	ZRXOORNRDVFGLQ-MDZDMXLPSA-N
DG66111	"3-(5-Amino-[1, 4] Thiadiazole-2-yl Methyl)-6-Bromo-2-Methyl-3H Quinazolone 4-0ne"	24204727	"NSC732562; NSC-732562; 3-(5-Amino -[1, 4] Thiadiazole - 2-yl Methyl) -6-Bromo -2- Methyl- 3H Quinazolone 4-0ne"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732562	.	.	.	.	414.3	C17H12BrN5OS	113	541	2.9	25	1	6	3	"InChI=1S/C17H12BrN5OS/c18-11-6-7-13-12(8-11)16(24)23(9-14-21-22-17(19)25-14)15(20-13)10-4-2-1-3-5-10/h1-8H,9H2,(H2,19,22)"	C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=O)N2CC4=NN=C(S4)N	GSJBWTNJXNAUNS-UHFFFAOYSA-N
DG66112	"4-Amino-7-(2,3-d] pyrimidine-2-thione"	24204728	"NSC732563; NSC-732563; 4-Amino - 7 - (2,3-d] pyrimidine-2-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732563	.	.	.	.	429.3	C20H14Cl2N4OS	104	783	3.9	28	2	3	3	"InChI=1S/C20H14Cl2N4OS/c1-27-12-5-2-10(3-6-12)13-9-16(14-8-11(21)4-7-15(14)22)24-19-17(13)18(23)25-20(28)26-19/h2-9H,1H3,(H3,23,24,25,26,28)"	COC1=CC=C(C=C1)C2=CC(=NC3=NC(=S)NC(=C23)N)C4=C(C=CC(=C4)Cl)Cl	KIBQHFWVYQNMJS-UHFFFAOYSA-N
DG66113	"2-(2,5-dichloro-phenyl)-5-(4'-methoxy phenyl)-1H-[1,8] naphthyridine-4-one."	24204731	"NSC732566; NSC-732566; 2-(2,5 - dichloro - phenyl)-5 - (4'- methoxy phenyl)-1H-[1,8] naphthyridine - 4 - one."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732566	.	.	.	.	560.2	C27H15Cl4FN2O2	51.2	826	8.3	36	1	5	4	"InChI=1S/C27H15Cl4FN2O2/c1-36-15-5-2-13(3-6-15)16-10-23(17-8-14(28)4-7-19(17)29)33-27-26(16)25(35)12-24(34-27)18-9-22(32)21(31)11-20(18)30/h2-12H,1H3,(H,33,34,35)"	COC1=CC=C(C=C1)C2=CC(=NC3=C2C(=O)C=C(N3)C4=CC(=C(C=C4Cl)Cl)F)C5=C(C=CC(=C5)Cl)Cl	NXHFWUMZCCJNNY-UHFFFAOYSA-N
DG66114	"3-[5-Amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-6,8-dibromo-2-methylquinazolin-4-one"	24204732	"NSC732567; NSC-732567; 6,3  -dichlorophenyl)1,2 ,4-triazin-3-yl]quinazolin- 4(3H)-one (SPC-1Br)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732567	.	.	.	.	557	C18H10Br2Cl2N6O	97.4	672	4	29	1	6	2	"InChI=1S/C18H10Br2Cl2N6O/c1-7-24-14-10(5-8(19)6-11(14)20)17(29)28(7)18-25-16(23)15(26-27-18)9-3-2-4-12(21)13(9)22/h2-6H,1H3,(H2,23,25,27)"	CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=NC(=C(N=N3)C4=C(C(=CC=C4)Cl)Cl)N	LGIDCUZTCRKVTG-UHFFFAOYSA-N
DG66115	"3-[5-Amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-6,8-dibromo-2-phenylquinazolin-4-one"	24204733	"NSC732568; NSC-732568; 6,3  -dichlorophenyl)1, 2,4-triazin-3-yl]quinazolin-4(3H)-one (SPC-IIIBr)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732568	.	.	.	.	619.1	C23H12Br2Cl2N6O	97.4	787	5.7	34	1	6	3	"InChI=1S/C23H12Br2Cl2N6O/c24-12-9-14-18(15(25)10-12)29-21(11-5-2-1-3-6-11)33(22(14)34)23-30-20(28)19(31-32-23)13-7-4-8-16(26)17(13)27/h1-10H,(H2,28,30,32)"	C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3Br)Br)C(=O)N2C4=NC(=C(N=N4)C5=C(C(=CC=C5)Cl)Cl)N	OGIVUQPWHFTLAU-UHFFFAOYSA-N
DG66116	"(3-Thioxo-5,1-c][1,2,4]thiadiazol-7-yl)-acetonitrile"	24204736	"NSC732632; NSC-732632; (3-Thioxo-5,1-c][1,2,4]thiadiazol-7-yl)- acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732632	.	.	.	.	198.3	C6H6N4S2	100	302	0.3	12	0	4	1	InChI=1S/C6H6N4S2/c7-1-2-9-3-4-10-5(9)8-12-6(10)11/h2-4H2	C1CN2C(=NSC2=S)N1CC#N	XZBKCMAFXBTITL-UHFFFAOYSA-N
DG66117	"1-cyclohexyl-3-[4-(3-thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylurea"	24204749	CHEMBL2263480; NSC732730; NSC-732730	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732730	.	.	.	.	518.7	C27H26N4O3S2	130	882	5.9	36	2	5	5	"InChI=1S/C27H26N4O3S2/c32-27(28-19-8-2-1-3-9-19)30-36(33,34)21-14-12-20(13-15-21)31-26(24-11-6-16-35-24)23-17-18-7-4-5-10-22(18)25(23)29-31/h4-7,10-16,19H,1-3,8-9,17H2,(H2,28,30,32)"	C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)N3C(=C4CC5=CC=CC=C5C4=N3)C6=CC=CS6	XLUBDOGELRJOOC-UHFFFAOYSA-N
DG66118	"4-[3-(4-chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide"	24204751	NSC732732; NSC-732732	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732732	.	.	.	.	421.9	C22H16ClN3O2S	86.4	683	4.4	29	1	4	3	"InChI=1S/C22H16ClN3O2S/c23-16-7-5-14(6-8-16)22-20-13-15-3-1-2-4-19(15)21(20)25-26(22)17-9-11-18(12-10-17)29(24,27)28/h1-12H,13H2,(H2,24,27,28)"	C1C2=CC=CC=C2C3=NN(C(=C31)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)S(=O)(=O)N	BGWIPENYCKLGFA-UHFFFAOYSA-N
DG66119	"1-[4-[3-(4-chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea"	24204754	NSC732736; NSC-732736	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732736	.	.	.	.	541	C29H21ClN4O3S	102	923	6.5	38	2	4	5	"InChI=1S/C29H21ClN4O3S/c30-21-12-10-19(11-13-21)28-26-18-20-6-4-5-9-25(20)27(26)32-34(28)23-14-16-24(17-15-23)38(36,37)33-29(35)31-22-7-2-1-3-8-22/h1-17H,18H2,(H2,31,33,35)"	C1C2=CC=CC=C2C3=NN(C(=C31)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)S(=O)(=O)NC(=O)NC6=CC=CC=C6	GGRIZADTFDPUQU-UHFFFAOYSA-N
DG66120	"1-[4-[3-(4-chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-cyclohexylurea"	24204755	NSC732737; NSC-732737	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732737	.	.	.	.	547.1	C29H27ClN4O3S	102	923	6.8	38	2	4	5	"InChI=1S/C29H27ClN4O3S/c30-21-12-10-19(11-13-21)28-26-18-20-6-4-5-9-25(20)27(26)32-34(28)23-14-16-24(17-15-23)38(36,37)33-29(35)31-22-7-2-1-3-8-22/h4-6,9-17,22H,1-3,7-8,18H2,(H2,31,33,35)"	C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)N3C(=C4CC5=CC=CC=C5C4=N3)C6=CC=C(C=C6)Cl	SWDFYMAJVBVZJQ-UHFFFAOYSA-N
DG66121	NSC732738	24204756	"(NZ)-4-[3-(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide; NSC732738; NSC-732738"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732738	.	.	.	.	599.1	C31H23ClN4O3S2	116	1150	7	41	0	7	5	"InChI=1S/C31H23ClN4O3S2/c32-22-12-10-20(11-13-22)30-27-18-21-6-4-5-9-26(21)29(27)33-36(30)24-14-16-25(17-15-24)41(38,39)34-31-35(28(37)19-40-31)23-7-2-1-3-8-23/h1-17,27,30H,18-19H2/b34-31-"	C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)/N=C\\5/N(C(=O)CS5)C6=CC=CC=C6)C7=CC=C(C=C7)Cl	YDSCWZVNGNBYGS-NMSHJFGGSA-N
DG66122	"1-[4-[3-(4-methylphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea"	24204759	NSC732741; NSC-732741	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732741	.	.	.	.	522.6	C30H26N4O3S	99.2	972	6.1	38	2	5	5	"InChI=1S/C30H26N4O3S/c1-20-11-13-21(14-12-20)29-27-19-22-7-5-6-10-26(22)28(27)32-34(29)24-15-17-25(18-16-24)38(36,37)33-30(35)31-23-8-3-2-4-9-23/h2-18,27,29H,19H2,1H3,(H2,31,33,35)"	CC1=CC=C(C=C1)C2C3CC4=CC=CC=C4C3=NN2C5=CC=C(C=C5)S(=O)(=O)NC(=O)NC6=CC=CC=C6	HYEMBRXHDQGLMS-UHFFFAOYSA-N
DG66123	"4-[3-(4-methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide"	24204768	NSC732750; NSC-732750	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732750	.	.	.	.	401.5	C23H19N3O2S	86.4	677	4.1	29	1	4	3	"InChI=1S/C23H19N3O2S/c1-15-6-8-16(9-7-15)23-21-14-17-4-2-3-5-20(17)22(21)25-26(23)18-10-12-19(13-11-18)29(24,27)28/h2-13H,14H2,1H3,(H2,24,27,28)"	CC1=CC=C(C=C1)C2=C3CC4=CC=CC=C4C3=NN2C5=CC=C(C=C5)S(=O)(=O)N	AVXMUMZPFXCHDZ-UHFFFAOYSA-N
DG66124	"1-[4-[3-(4-methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea"	24204769	NSC732751; NSC-732751	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732751	.	.	.	.	520.6	C30H24N4O3S	102	916	6.3	38	2	4	5	"InChI=1S/C30H24N4O3S/c1-20-11-13-21(14-12-20)29-27-19-22-7-5-6-10-26(22)28(27)32-34(29)24-15-17-25(18-16-24)38(36,37)33-30(35)31-23-8-3-2-4-9-23/h2-18H,19H2,1H3,(H2,31,33,35)"	CC1=CC=C(C=C1)C2=C3CC4=CC=CC=C4C3=NN2C5=CC=C(C=C5)S(=O)(=O)NC(=O)NC6=CC=CC=C6	WJVZYONZWILBNX-UHFFFAOYSA-N
DG66125	"1-cyclohexyl-3-[4-[3-(4-methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonylurea"	24204770	NSC732752; NSC-732752	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732752	.	.	.	.	526.7	C30H30N4O3S	102	916	6.5	38	2	4	5	"InChI=1S/C30H30N4O3S/c1-20-11-13-21(14-12-20)29-27-19-22-7-5-6-10-26(22)28(27)32-34(29)24-15-17-25(18-16-24)38(36,37)33-30(35)31-23-8-3-2-4-9-23/h5-7,10-18,23H,2-4,8-9,19H2,1H3,(H2,31,33,35)"	CC1=CC=C(C=C1)C2=C3CC4=CC=CC=C4C3=NN2C5=CC=C(C=C5)S(=O)(=O)NC(=O)NC6CCCCC6	UYMZRFBLNKXCJY-UHFFFAOYSA-N
DG66126	2-Chloro-1-(benzenesulfonyl)piperidine-4-carboxilic acid biphenylamide.	24204776	NSC732859; NSC-732859; 2-chloro-1-(benzenesulfonyl)piperidine-4-carboxilic acid biphenylamide.	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732859	.	.	.	.	455	C24H23ClN2O3S	74.9	688	4.7	31	1	4	5	"InChI=1S/C24H23ClN2O3S/c25-22-8-4-5-9-23(22)31(29,30)27-16-14-20(15-17-27)24(28)26-21-12-10-19(11-13-21)18-6-2-1-3-7-18/h1-13,20H,14-17H2,(H,26,28)"	C1CN(CCC1C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4Cl	NMWVTLQEYGTNGQ-UHFFFAOYSA-N
DG66127	"(4E,8E,11E,13R,15R)-4,8,12,15-tetramethyl-14-oxabicyclo[11.2.1]hexadeca-4,8,11-triene-15-carbaldehyde"	24204792	NSC732950; NSC-732950	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732950	.	.	.	.	302.5	C20H30O2	26.3	498	3.5	22	0	2	1	"InChI=1S/C20H30O2/c1-15-7-5-8-16(2)11-12-18-13-19(17(3)10-6-9-15)22-20(18,4)14-21/h8-10,14,18-19H,5-7,11-13H2,1-4H3/b15-9+,16-8+,17-10+/t18 ,19-,20+/m1/s1"	C/C/1=C\\CC/C(=C/C/C=C(/[C@H]2CC(CC1)[C@](O2)(C)C=O)\\C)/C	XPGMBBWAAYJZIK-CAOVILBDSA-N
DG66128	"(1S,4E,8E,12R,13R)-12-hydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one"	24204797	NSC732954; NSC-732954	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732954	.	.	.	.	318.4	C20H30O3	46.5	529	3.8	23	1	3	0	"InChI=1S/C20H30O3/c1-14-7-5-8-15(2)10-11-17-13-18(23-19(21)16(17)3)20(4,22)12-6-9-14/h8-9,17-18,22H,3,5-7,10-13H2,1-2,4H3/b14-9+,15-8+/t17-,18+,20+/m0/s1"	C/C/1=C\\CC[C@@]([C@H]2C[C@H](CC/C(=C/CC1)/C)C(=C)C(=O)O2)(C)O	VCLOBFBJUDXQFF-LNBGVRSBSA-N
DG66129	"9-Hydroxy-5(3-phenylpropyl)-5H-indeno[1,2-b]indol-10-one"	24204800	"NSC732980; NSC-732980; 9-Hydroxy-5(3-phenylpropyl)-5H-indeno[1,2-b]indol-10-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732980	.	.	.	.	353.4	C24H19NO2	42.2	543	5.1	27	1	2	4	"InChI=1S/C24H19NO2/c26-20-14-6-13-19-21(20)22-23(17-11-4-5-12-18(17)24(22)27)25(19)15-7-10-16-8-2-1-3-9-16/h1-6,8-9,11-14,26H,7,10,15H2"	C1=CC=C(C=C1)CCCN2C3=C(C(=CC=C3)O)C4=C2C5=CC=CC=C5C4=O	GZTRCXAQUUGAOR-UHFFFAOYSA-N
DG66130	"2-[2-Ethyl(3,4-dimethoxyphenyl)amino]methyl]3-phenyl-7-trifl uoromethylquinoxaline"	24204808	"CHEMBL3121443; BDBM50448354; NSC732995; NSC-732995; 2-[2-ethyl(3,4-dimethoxyphenyl)amino]methyl]3-phenyl-7-trifl uoromethylquinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732995	.	.	.	.	467.5	C26H24F3N3O2	47.5	631	5.7	34	0	8	7	"InChI=1S/C26H24F3N3O2/c1-4-32(19-11-13-23(33-2)24(15-19)34-3)16-22-25(17-8-6-5-7-9-17)31-20-12-10-18(26(27,28)29)14-21(20)30-22/h5-15H,4,16H2,1-3H3"	CCN(CC1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC	AKZDCXDJASVSLK-UHFFFAOYSA-N
DG66131	"2-amino-4-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidine-5-carbonitrile"	24204821	NSC733008; NSC-733008	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733008	.	.	.	.	392.2	C16H15Cl2N7O	112	526	3.4	26	2	8	4	"InChI=1S/C16H15Cl2N7O/c17-12-2-1-3-13(18)11(12)9-21-24-14-10(8-19)15(23-16(20)22-14)25-4-6-26-7-5-25/h1-3,9H,4-7H2,(H3,20,22,23,24)/b21-9+"	C1COCCN1C2=NC(=NC(=C2C#N)N/N=C/C3=C(C=CC=C3Cl)Cl)N	WDOOOBADBIRXCV-ZVBGSRNCSA-N
DG66132	"2-amino-4-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile"	24204824	NSC733011; NSC-733011	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733011	.	.	.	.	376.2	C16H15Cl2N7	103	516	4.3	25	2	7	4	"InChI=1S/C16H15Cl2N7/c17-11-4-3-10(13(18)7-11)9-21-24-14-12(8-19)15(23-16(20)22-14)25-5-1-2-6-25/h3-4,7,9H,1-2,5-6H2,(H3,20,22,23,24)/b21-9+"	C1CCN(C1)C2=NC(=NC(=C2C#N)N/N=C/C3=C(C=C(C=C3)Cl)Cl)N	DSHLCTPNESCPOQ-ZVBGSRNCSA-N
DG66133	(5Z)-5-[(2-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimidazol-4-one	24204861	NSC733164; NSC-733164	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733164	.	.	.	.	362.8	C21H15ClN2O2	45.8	583	4.4	26	0	3	4	"InChI=1S/C21H15ClN2O2/c22-18-11-5-4-9-16(18)13-19-21(25)24(14-17-10-6-12-26-17)20(23-19)15-7-2-1-3-8-15/h1-13H,14H2/b19-13-"	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=CC=C3Cl)/C(=O)N2CC4=CC=CO4	FTSYJADOLAAZHP-UYRXBGFRSA-N
DG66134	(NZ)-N-[1-[4-[(4-imidazol-1-ylquinolin-2-yl)amino]phenyl]ethylidene]hydroxylamine	24204871	NSC733301; NSC-733301	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733301	.	.	.	.	343.4	C20H17N5O	75.3	491	3.8	26	2	5	4	"InChI=1S/C20H17N5O/c1-14(24-26)15-6-8-16(9-7-15)22-20-12-19(25-11-10-21-13-25)17-4-2-3-5-18(17)23-20/h2-13,26H,1H3,(H,22,23)/b24-14-"	C/C(=N/O)/C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)N4C=CN=C4	DLIQDTCDTLRXIS-OYKKKHCWSA-N
DG66135	(NE)-N-[1-[3-[(4-imidazol-1-ylquinolin-2-yl)amino]phenyl]ethylidene]hydroxylamine	24204873	NSC733303; NSC-733303	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733303	.	.	.	.	343.4	C20H17N5O	75.3	499	3.8	26	2	5	4	"InChI=1S/C20H17N5O/c1-14(24-26)15-5-4-6-16(11-15)22-20-12-19(25-10-9-21-13-25)17-7-2-3-8-18(17)23-20/h2-13,26H,1H3,(H,22,23)/b24-14+"	C/C(=N\\O)/C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C(=C2)N4C=CN=C4	SWTWFHPLHCSIEM-ZVHZXABRSA-N
DG66136	(NE)-N-[1-[3-[[4-(triazol-1-yl)quinolin-2-yl]amino]phenyl]ethylidene]hydroxylamine	24204874	NSC733304; NSC-733304	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733304	.	.	.	.	344.4	C19H16N6O	88.2	500	3.4	26	2	6	4	"InChI=1S/C19H16N6O/c1-13(23-26)14-5-4-6-15(11-14)21-19-12-18(25-10-9-20-24-25)16-7-2-3-8-17(16)22-19/h2-12,26H,1H3,(H,21,22)/b23-13+"	C/C(=N\\O)/C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C(=C2)N4C=CN=N4	IKIYUTFWLWRNIO-YDZHTSKRSA-N
DG66137	"3-Benzoyloxy-1-hydroxy-2,8,9-tetrakis(methoxycarbonyl)-7-(2-methoxyphenyl)bicyclo[3.3.1]non-3-ene"	24204886	"NSC733340; NSC-733340; 3-Benzoyloxy-1-hydroxy-2,8,9-tetrakis(methoxycarbonyl)-7-( 2-methoxyphenyl)bicyclo[3.3.1]non-3-ene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733340	.	.	.	.	596.6	C31H32O12	161	1120	2.9	43	1	12	13	"InChI=1S/C31H32O12/c1-38-20-14-10-9-13-17(20)18-15-19-21(27(33)39-2)25(43-26(32)16-11-7-6-8-12-16)24(30(36)42-5)31(37,22(18)28(34)40-3)23(19)29(35)41-4/h6-14,18-19,22-24,37H,15H2,1-5H3/t18 ,19 ,22-,23-,24 ,31-/m1/s1"	COC1=CC=CC=C1C2CC3[C@@H]([C@]([C@H]2C(=O)OC)(C(C(=C3C(=O)OC)OC(=O)C4=CC=CC=C4)C(=O)OC)O)C(=O)OC	LXGQVSLEWHRSNO-BNUIVUBKSA-N
DG66138	"3-(4-Chlorobenzoyloxy)-7-(2-chlorophenyl)-1-hydroxy-2,8,9-tetrakis(methoxycarbonyl)bicyclo[3.3.1]non-3-ene"	24204891	"NSC733345; NSC-733345; 3-(4-Chlorobenzoyloxy)-7-(2-chlorophenyl)-1-hydroxy-2,8,9- tetrakis(methoxycarbonyl)bicyclo[3.3.1]non-3-ene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733345	.	.	.	.	635.4	C30H28Cl2O11	152	1150	4.2	43	1	11	12	"InChI=1S/C30H28Cl2O11/c1-39-26(34)20-18-13-17(16-7-5-6-8-19(16)32)21(27(35)40-2)30(38,22(18)28(36)41-3)23(29(37)42-4)24(20)43-25(33)14-9-11-15(31)12-10-14/h5-12,17-18,21-23,38H,13H2,1-4H3/t17 ,18-,21+,22+,23 ,30+/m0/s1"	COC(=O)[C@H]1[C@H]2CC([C@@H]([C@@]1(C(C(=C2C(=O)OC)OC(=O)C3=CC=C(C=C3)Cl)C(=O)OC)O)C(=O)OC)C4=CC=CC=C4Cl	BAUHNBPMZSBCLH-UXPFSPKWSA-N
DG66139	"3-(4-Chlorobenzoyloxy)-7-(2-trifluoromethylphenyl)-1-hydroxy-2,8,9-tetrakis(methoxycarbonyl)bicyclo[3.3.1]non-3-ene"	24204894	"NSC733348; NSC-733348; 3-(4-Chlorobenzoyloxy)-7-(2-trifluoromethylphenyl)-1-hydroxy -2,8,9-tetrakis(methoxycarbonyl)bicyclo[3.3.1]non-3-ene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733348	.	.	.	.	669	C31H28ClF3O11	152	1240	4.5	46	1	14	12	"InChI=1S/C31H28ClF3O11/c1-42-26(37)20-18-13-17(16-7-5-6-8-19(16)31(33,34)35)21(27(38)43-2)30(41,22(18)28(39)44-3)23(29(40)45-4)24(20)46-25(36)14-9-11-15(32)12-10-14/h5-12,17-18,21-23,41H,13H2,1-4H3/t17 ,18-,21+,22+,23 ,30+/m0/s1"	COC(=O)[C@H]1[C@H]2CC([C@@H]([C@@]1(C(C(=C2C(=O)OC)OC(=O)C3=CC=C(C=C3)Cl)C(=O)OC)O)C(=O)OC)C4=CC=CC=C4C(F)(F)F	ONGLEULSQGOKBU-UXPFSPKWSA-N
DG66140	"4-[[2-(4-fluorophenyl)-2-oxoethyl]-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzenesulfonamide"	24204925	CHEMBL3235169; BDBM50008334; NSC733464; NSC-733464	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733464	.	.	.	.	430.4	C18H14F4N2O4S	106	717	3.1	29	1	10	7	"InChI=1S/C18H14F4N2O4S/c19-13-3-1-12(2-4-13)16(25)11-24(10-9-17(26)18(20,21)22)14-5-7-15(8-6-14)29(23,27)28/h1-10H,11H2,(H2,23,27,28)/b10-9+"	C1=CC(=CC=C1C(=O)CN(/C=C/C(=O)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N)F	AOTXFCOLABDNJL-MDZDMXLPSA-N
DG66141	"(E)-4-(4-chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one"	24204927	NSC733472; NSC-733472	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733472	.	.	.	.	385.7	C18H12ClF4NO2	37.4	522	5.1	26	0	7	6	"InChI=1S/C18H12ClF4NO2/c19-13-3-7-15(8-4-13)24(10-9-17(26)18(21,22)23)11-16(25)12-1-5-14(20)6-2-12/h1-10H,11H2/b10-9+"	C1=CC(=CC=C1C(=O)CN(/C=C/C(=O)C(F)(F)F)C2=CC=C(C=C2)Cl)F	YQPFBEKWAGMPCF-MDZDMXLPSA-N
DG66142	"(E)-4-(4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one"	24204931	NSC733476; NSC-733476	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733476	.	.	.	.	402.2	C18H12Cl2F3NO2	37.4	523	5.7	26	0	6	6	"InChI=1S/C18H12Cl2F3NO2/c19-13-3-1-12(2-4-13)16(25)11-24(10-9-17(26)18(21,22)23)15-7-5-14(20)6-8-15/h1-10H,11H2/b10-9+"	C1=CC(=CC=C1C(=O)CN(/C=C/C(=O)C(F)(F)F)C2=CC=C(C=C2)Cl)Cl	WYIATDGRNIKEFS-MDZDMXLPSA-N
DG66143	"(E)-1,1,1-trifluoro-4-(N-[2-(4-fluorophenyl)-2-oxoethyl]anilino)but-3-en-2-one"	24204935	NSC733480; NSC-733480	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733480	.	.	.	.	351.3	C18H13F4NO2	37.4	490	4.5	25	0	7	6	"InChI=1S/C18H13F4NO2/c19-14-8-6-13(7-9-14)16(24)12-23(15-4-2-1-3-5-15)11-10-17(25)18(20,21)22/h1-11H,12H2/b11-10+"	C1=CC=C(C=C1)N(CC(=O)C2=CC=C(C=C2)F)/C=C/C(=O)C(F)(F)F	MNCXUMVMZMFFST-ZHACJKMWSA-N
DG66144	NSC733632	24204949	"(4S,6R,7S,9E)-6,16-dihydroxy-4-[(6-methoxypyridin-3-yl)methyl]-7-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one; NSC733632; NSC-733632"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733632	.	.	.	.	397.5	C23H27NO5	88.9	553	4.9	29	2	6	3	"InChI=1S/C23H27NO5/c1-15-6-3-4-7-17-8-5-9-19(25)22(17)23(27)29-18(13-20(15)26)12-16-10-11-21(28-2)24-14-16/h3-5,8-11,14-15,18,20,25-26H,6-7,12-13H2,1-2H3/b4-3+/t15-,18-,20+/m0/s1"	C[C@H]1C/C=C/CC2=C(C(=CC=C2)O)C(=O)O[C@H](C[C@H]1O)CC3=CN=C(C=C3)OC	JNKIUALTDDIIPQ-DZLHGEMNSA-N
DG66145	"2-[(Z)-6-(2-fluorophenyl)hex-3-en-1,5-diynyl]aniline"	24204954	CHEMBL468379; NSC733691; NSC-733691	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733691	.	.	.	.	261.3	C18H12FN	26	467	4.4	20	1	2	2	"InChI=1S/C18H12FN/c19-17-13-7-5-10-15(17)9-3-1-2-4-11-16-12-6-8-14-18(16)20/h1-2,5-8,10,12-14H,20H2/b2-1-"	C1=CC=C(C(=C1)C#C/C=C\\C#CC2=CC=CC=C2F)N	AFNOGZGAZZYSRQ-UPHRSURJSA-N
DG66146	"2-[(Z)-6-(2,4-difluorophenyl)hex-3-en-1,5-diynyl]aniline"	24204955	CHEMBL466342; NSC733692; NSC-733692	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733692	.	.	.	.	279.3	C18H11F2N	26	498	4.5	21	1	3	2	"InChI=1S/C18H11F2N/c19-16-12-11-14(17(20)13-16)7-3-1-2-4-8-15-9-5-6-10-18(15)21/h1-2,5-6,9-13H,21H2/b2-1-"	C1=CC=C(C(=C1)C#C/C=C\\C#CC2=C(C=C(C=C2)F)F)N	PABVIXOFQRSXOC-UPHRSURJSA-N
DG66147	"2-[(Z)-6-(2,4-dichlorophenyl)hex-3-en-1,5-diynyl]aniline"	24204956	NSC733693; NSC-733693	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733693	.	.	.	.	312.2	C18H11Cl2N	26	498	5.6	21	1	1	2	"InChI=1S/C18H11Cl2N/c19-16-12-11-14(17(20)13-16)7-3-1-2-4-8-15-9-5-6-10-18(15)21/h1-2,5-6,9-13H,21H2/b2-1-"	C1=CC=C(C(=C1)C#C/C=C\\C#CC2=C(C=C(C=C2)Cl)Cl)N	TUJSLXBPJOQHNT-UPHRSURJSA-N
DG66148	NSC733752	24204960	"[(5R,9E,14S,15R,15aR)-5-hydroxy-10,14-dimethyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,12,13,14,15,15a-decahydro-3aH-cyclotetradeca[b]furan-15-yl] acetate; NSC733752; NSC-733752"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733752	.	.	.	.	376.5	C22H32O5	72.8	633	3.6	27	1	5	2	"InChI=1S/C22H32O5/c1-13-8-6-10-14(2)19(24)12-18-16(4)22(25)27-21(18)20(26-17(5)23)15(3)11-7-9-13/h8,15,18-21,24H,2,4,6-7,9-12H2,1,3,5H3/b13-8+/t15-,18 ,19+,20+,21+/m0/s1"	C[C@H]1CCC/C(=C/CCC(=C)[C@@H](CC2[C@H]([C@@H]1OC(=O)C)OC(=O)C2=C)O)/C	IIHISVFXWMWKEB-DMLPQHMSSA-N
DG66149	NSC733753	24204961	"[(5R,6E,9E,14S,15R,15aR)-5-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,11,12,13,14,15,15a-decahydrocyclotetradeca[b]furan-15-yl] acetate; NSC733753; NSC-733753"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733753	.	.	.	.	376.5	C22H32O5	72.8	645	3.6	27	1	5	2	"InChI=1S/C22H32O5/c1-13-8-6-10-14(2)19(24)12-18-16(4)22(25)27-21(18)20(26-17(5)23)15(3)11-7-9-13/h8,10,15,18-21,24H,4,6-7,9,11-12H2,1-3,5H3/b13-8+,14-10+/t15-,18 ,19+,20+,21+/m0/s1"	C[C@H]1CCC/C(=C/C/C=C(/[C@@H](CC2[C@H]([C@@H]1OC(=O)C)OC(=O)C2=C)O)\\C)/C	HDOQBECKQQQPJB-BQSHZVMRSA-N
DG66150	"methyl 2-[(1S,4E,9S,10S,12S,14R)-10,14-dihydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]prop-2-enoate"	24204963	NSC733755; NSC-733755	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733755	.	.	.	.	366.5	C21H34O5	76	555	3	26	2	5	3	"InChI=1S/C21H34O5/c1-13-8-6-10-14(2)18(23)19-16(15(3)20(24)25-5)12-17(22)21(4,26-19)11-7-9-13/h9,14,16-19,22-23H,3,6-8,10-12H2,1-2,4-5H3/b13-9+/t14-,16-,17+,18-,19 ,21-/m0/s1"	C[C@H]1CCC/C(=C/CC[C@]2([C@@H](C[C@H](C([C@H]1O)O2)C(=C)C(=O)OC)O)C)/C	ZFLFURLGKKNRBY-HFOFVVMNSA-N
DG66151	NSC733756	24204964	"[(3R,5R,8E,13S,14R,15R)-5,9,13-trimethyl-17-oxospiro[4,16-dioxatricyclo[13.3.0.03,5]octadec-8-ene-18,1'-cyclopropane]-14-yl] acetate; NSC733756; NSC-733756"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733756	.	.	.	.	390.5	C23H34O5	65.099	679	3.9	28	0	5	2	"InChI=1S/C23H34O5/c1-14-7-5-9-15(2)19(26-16(3)24)20-17(23(11-12-23)21(25)27-20)13-18-22(4,28-18)10-6-8-14/h8,15,17-20H,5-7,9-13H2,1-4H3/b14-8+/t15-,17 ,18+,19+,20+,22+/m0/s1"	C[C@H]1CCC/C(=C/CC[C@@]2([C@H](O2)CC3[C@H]([C@@H]1OC(=O)C)OC(=O)C34CC4)C)/C	ZCMSZTPVBJJZSP-DDYAOXFSSA-N
DG66152	"(1S,2E,10E,14R)-3-(hydroxymethyl)-11-methyl-7-methylidene-14-prop-1-en-2-ylcyclotetradeca-2,10-diene-1,6-diol"	24204966	NSC733758; NSC-733758	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733758	.	.	.	.	320.5	C20H32O3	60.7	473	2.3	23	3	3	2	"InChI=1S/C20H32O3/c1-14(2)18-10-8-15(3)6-5-7-16(4)19(22)11-9-17(13-21)12-20(18)23/h6,12,18-23H,1,4-5,7-11,13H2,2-3H3/b15-6+,17-12+/t18-,19 ,20+/m1/s1"	C/C/1=C\\CCC(=C)C(CC/C(=C\\[C@@H]([C@H](CC1)C(=C)C)O)/CO)O	KYPQXVOXYHSDSZ-VETQSTDLSA-N
DG66153	"(4E,6S,7R,10E)-6-hydroxy-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-one"	24204967	NSC733759; NSC-733759	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733759	.	.	.	.	320.5	C20H32O3	57.5	473	2.7	23	2	3	2	"InChI=1S/C20H32O3/c1-14(2)18-10-8-15(3)6-5-7-16(4)19(22)11-9-17(13-21)12-20(18)23/h6,12,16,18,20-21,23H,1,5,7-11,13H2,2-4H3/b15-6+,17-12+/t16 ,18-,20+/m1/s1"	CC1CC/C=C(/CC[C@@H]([C@H](/C=C(\\CCC1=O)/CO)O)C(=C)C)\\C	YMCWKPZXTYQNSW-YLKRIFPQSA-N
DG66154	NSC733760	24204968	"[4-acetyloxy-6-[[(4S,6S,6aR,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-5-hydroxyoxan-3-yl] acetate; NSC733760; NSC-733760"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733760	.	.	.	.	516.6	C29H40O8	112	868	5.3	37	2	8	7	"InChI=1S/C29H40O8/c1-13(2)10-19-11-15(4)20-9-8-14(3)22-24(20)23(19)16(5)27(25(22)32)37-29-26(33)28(36-18(7)31)21(12-34-29)35-17(6)30/h10,14-15,19-21,26,28-29,32-33H,8-9,11-12H2,1-7H3/t14-,15-,19+,20+,21 ,26 ,28 ,29 /m0/s1"	C[C@H]1CC[C@@H]2[C@H](C[C@H](C3=C(C(=C(C1=C23)O)OC4C(C(C(CO4)OC(=O)C)OC(=O)C)O)C)C=C(C)C)C	AXXBUCAUNFEVQG-NQHLMHTISA-N
DG66155	"3-O-Methyl-16-formyl-17-(2'-furyl)estra-1,5(10),16-tetraen-3-ol"	24204972	"NSC733795; NSC-733795; 3-O-Methyl-16-formyl-17-(2'-furyl)estra-1,5(10),16-tetraen -3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733795	.	.	.	.	362.5	C24H26O3	39.4	625	4.8	27	0	3	3	"InChI=1S/C24H26O3/c1-24-10-9-19-18-8-6-17(26-2)12-15(18)5-7-20(19)21(24)13-16(14-25)23(24)22-4-3-11-27-22/h3-4,6,8,11-12,14,19-21H,5,7,9-10,13H2,1-2H3/t19-,20-,21+,24+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=C2C4=CC=CO4)C=O)CCC5=C3C=CC(=C5)OC	XHRARAYRNOJEQI-YOEKFXIASA-N
DG66156	6-Chloro-9-[[3-(chloromethyl)phenyl]methyl]purine	24204973	CHEMBL2262438; NSC733885; NSC-733885	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733885	.	.	.	.	293.15	C13H10Cl2N4	43.6	304	3.4	19	0	3	3	"InChI=1S/C13H10Cl2N4/c14-5-9-2-1-3-10(4-9)6-19-8-18-11-12(15)16-7-17-13(11)19/h1-4,7-8H,5-6H2"	C1=CC(=CC(=C1)CCl)CN2C=NC3=C2N=CN=C3Cl	VNNWFAAEYXWINT-UHFFFAOYSA-N
DG66157	6-Chloro-7-{[3-(chloromethyl)phenyl]methyl}-7H-purine	24204974	924904-12-1; 6-Chloro-7-(3-(chloromethyl)benzyl)-7H-purine; CHEMBL2262445; DTXSID20639831; NSC733886; NSC-733886; 6-Chloro-7-{[3-(chloromethyl)phenyl]methyl}-7H-purine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733886	.	.	.	.	293.15	C13H10Cl2N4	43.6	304	3	19	0	3	3	"InChI=1S/C13H10Cl2N4/c14-5-9-2-1-3-10(4-9)6-19-8-18-13-11(19)12(15)16-7-17-13/h1-4,7-8H,5-6H2"	C1=CC(=CC(=C1)CCl)CN2C=NC3=C2C(=NC=N3)Cl	PNSXRFFIYAVJKO-UHFFFAOYSA-N
DG66158	6-Chloro-9-[[2-(chloromethyl)phenyl]methyl]purine	24204975	CHEMBL2262436; NSC733888; NSC-733888	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733888	.	.	.	.	293.15	C13H10Cl2N4	43.6	304	3.4	19	0	3	3	"InChI=1S/C13H10Cl2N4/c14-5-9-3-1-2-4-10(9)6-19-8-18-11-12(15)16-7-17-13(11)19/h1-4,7-8H,5-6H2"	C1=CC=C(C(=C1)CN2C=NC3=C2N=CN=C3Cl)CCl	CVDHPMAOKRJQPH-UHFFFAOYSA-N
DG66159	"2,6-Dichloro-7-{[2-(chloromethyl)phenyl]methyl}-7H-purine"	24204977	"924904-10-9; CHEMBL2262443; DTXSID40639833; NSC733892; NSC-733892; 2,6-Dichloro-7-(2-(chloromethyl)benzyl)-7H-purine; 2,6-Dichloro-7-{[2-(chloromethyl)phenyl]methyl}-7H-purine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733892	.	.	.	.	327.6	C13H9Cl3N4	43.6	333	4	20	0	3	3	"InChI=1S/C13H9Cl3N4/c14-5-8-3-1-2-4-9(8)6-20-7-17-12-10(20)11(15)18-13(16)19-12/h1-4,7H,5-6H2"	C1=CC=C(C(=C1)CN2C=NC3=C2C(=NC(=N3)Cl)Cl)CCl	SDFSFCHSLBWZKS-UHFFFAOYSA-N
DG66160	(3-Methoxyphenyl) 2-(5-chloro-2-methyl-anilino)-6-(trifluoromethyl)pyridine-3-carboxylate	24204985	CHEMBL408441; NSC733901; NSC-733901; (3-methoxyphenyl) 2-(5-chloro-2-methyl-anilino)-6-(trifluoromethyl)pyridine-3-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733901	.	.	.	.	436.8	C21H16ClF3N2O3	60.4	580	6.6	30	1	8	6	"InChI=1S/C21H16ClF3N2O3/c1-12-6-7-13(22)10-17(12)26-19-16(8-9-18(27-19)21(23,24)25)20(28)30-15-5-3-4-14(11-15)29-2/h3-11H,1-2H3,(H,26,27)"	CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)OC3=CC=CC(=C3)OC	ODKQCNGPDKXKSG-UHFFFAOYSA-N
DG66161	(4-Chlorophenyl) 2-(5-chloro-2-methyl-anilino)-6-(trifluoromethyl)pyridine-3-carboxylate	24204990	CHEMBL270729; NSC733906; NSC-733906; (4-chlorophenyl) 2-(5-chloro-2-methyl-anilino)-6-(trifluoromethyl)pyridine-3-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733906	.	.	.	.	441.2	C20H13Cl2F3N2O2	51.2	558	7.2	29	1	7	5	"InChI=1S/C20H13Cl2F3N2O2/c1-11-2-3-13(22)10-16(11)26-18-15(8-9-17(27-18)20(23,24)25)19(28)29-14-6-4-12(21)5-7-14/h2-10H,1H3,(H,26,27)"	CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)OC3=CC=C(C=C3)Cl	ZKEXZNHAMVKSPS-UHFFFAOYSA-N
DG66162	"(1S,9E,13R,14R)-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-13-ol"	24205017	NSC733975; NSC-733975	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733975	.	.	.	.	320.5	C20H32O3	42	497	2.6	23	1	3	0	"InChI=1S/C20H32O3/c1-14-6-5-10-19(3,21)18-12-16(15(2)13-22-18)9-11-20(4)17(23-20)8-7-14/h6,16-18,21H,2,5,7-13H2,1,3-4H3/b14-6+/t16-,17 ,18+,19+,20 /m0/s1"	C/C/1=C\\CC[C@@]([C@H]2C[C@H](CCC3(C(O3)CC1)C)C(=C)CO2)(C)O	YHNMCCUZIVINBV-AZIOPETGSA-N
DG66163	NSC733981	24205019	gamma-glutamyl-alpha-amino-beta-[[2-ethyl(5-fluoro-2'deoxyur idyl) N-methyl-N-(4-chlorobutyl)phosphoramidoyl]sulfonyl] propionyl-(R)-(-)-phenylglycine; NSC733981; NSC-733981; gamma-glutamyl-alpha-amino-beta-[[2-ethyl(5-fluoro-2'deoxyur idyl) N-methyl-N-(4-chlorobutyl)phosphoramidoyl]sulfonyl] propionyl-(R)-(-)-phenylglycine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733981	.	.	.	.	871.2	C32H45ClFN6O15PS	319	1650	-4	57	7	18	24	"InChI=1S/C32H45ClFN6O15PS/c1-39(12-6-5-11-33)56(50,54-17-24-23(41)15-26(55-24)40-16-20(34)28(43)38-32(40)49)53-13-14-57(51,52)18-22(36-25(42)10-9-21(35)30(45)46)29(44)37-27(31(47)48)19-7-3-2-4-8-19/h2-4,7-8,16,21-24,26-27,41H,5-6,9-15,17-18,35H2,1H3,(H,36,42)(H,37,44)(H,45,46)(H,47,48)(H,38,43,49)"	CN(CCCCCl)P(=O)(OCCS(=O)(=O)CC(C(=O)NC(C1=CC=CC=C1)C(=O)O)NC(=O)CCC(C(=O)O)N)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)F)O	PHUKCJQFMFKXBU-UHFFFAOYSA-N
DG66164	"N-(2-benzylsulfanylethyl)-N',N'-bis[2-(2-benzylsulfanylethylamino)ethyl]ethane-1,2-diamine;hydrochloride"	24205027	NSC734002; NSC-734002	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734002	.	.	.	.	633.4	C33H49ClN4S3	115	476	.	41	4	7	24	"InChI=1S/C33H48N4S3.ClH/c1-4-10-31(11-5-1)28-38-25-19-34-16-22-37(23-17-35-20-26-39-29-32-12-6-2-7-13-32)24-18-36-21-27-40-30-33-14-8-3-9-15-33;/h1-15,34-36H,16-30H2;1H"	C1=CC=C(C=C1)CSCCNCCN(CCNCCSCC2=CC=CC=C2)CCNCCSCC3=CC=CC=C3.Cl	QXAOVRFEEYDQBA-UHFFFAOYSA-N
DG66165	"6-Chloro-2-(4-chlorophenylsulfonyl)-7-cyano-1,-dioxo-3-(ph enylimino)-2,3-dihydro-1,4,2-benzodithiazine"	24205032	"NSC734036; NSC-734036; 6-Chloro-2-(4-chlorophenylsulfonyl)-7-cyano-1,-dioxo-3-(ph enylimino)-2,3-dihydro-1,4,2-benzodithiazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734036	.	.	.	.	524.4	C20H11Cl2N3O4S3	150	985	5.4	32	0	7	3	"InChI=1S/C20H11Cl2N3O4S3/c21-14-6-8-16(9-7-14)31(26,27)25-20(24-15-4-2-1-3-5-15)30-18-11-17(22)13(12-23)10-19(18)32(25,28)29/h1-11H"	C1=CC=C(C=C1)N=C2N(S(=O)(=O)C3=C(S2)C=C(C(=C3)C#N)Cl)S(=O)(=O)C4=CC=C(C=C4)Cl	RKVBYVZTYKGNBD-UHFFFAOYSA-N
DG66166	"2-(5-Bromothien-2-ylsulfonyl)-6-chloro-7-cyano-1,3-dihydro-1,4,2-benzodithiazine"	24205033	"NSC734037; NSC-734037; 2-(5-Bromothien-2-ylsulfonyl)-6-chloro-7-cyano-1,3-dihydro-1,4,2-benzodithiazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734037	.	.	.	.	574.9	C18H9BrClN3O4S4	178	982	5.8	31	0	8	3	"InChI=1S/C18H9BrClN3O4S4/c19-16-6-7-17(29-16)31(26,27)23-18(22-12-4-2-1-3-5-12)28-14-9-13(20)11(10-21)8-15(14)30(23,24)25/h1-9H"	C1=CC=C(C=C1)N=C2N(S(=O)(=O)C3=C(S2)C=C(C(=C3)C#N)Cl)S(=O)(=O)C4=CC=C(S4)Br	OGOWSPNXDAWXCW-UHFFFAOYSA-N
DG66167	"Ethyl 2-(5-bromothien-2-ylsulfonyl)-6-chloro-1,3-dihydro-1,4,2-benzodithiazine-7-carboxylate"	24205035	"NSC734039; NSC-734039; Ethyl 2-(5-bromothien-2-ylsulfonyl)-6-chloro-1,3-dihydro-1,4,2-benzodithiazine-7-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734039	.	.	.	.	622	C20H14BrClN2O6S4	181	1010	6.3	34	0	9	6	"InChI=1S/C20H14BrClN2O6S4/c1-2-30-19(25)13-10-16-15(11-14(13)22)31-20(23-12-6-4-3-5-7-12)24(33(16,26)27)34(28,29)18-9-8-17(21)32-18/h3-11H,2H2,1H3"	CCOC(=O)C1=CC2=C(C=C1Cl)SC(=NC3=CC=CC=C3)N(S2(=O)=O)S(=O)(=O)C4=CC=C(S4)Br	MDNZGGKOIWRIAV-UHFFFAOYSA-N
DG66168	1-[2-Benzylthio-4-chloro-5-(4-fluorophenylcarbamoyl)benzenes ulfonyl]-3-(2-hydroxyphenyl)guanidine	24205038	NSC734059; NSC-734059; 1-[2-Benzylthio-4-chloro-5-(4-fluorophenylcarbamoyl)benzenes ulfonyl]-3-(2-hydroxyphenyl)guanidine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734059	.	.	.	.	585.1	C27H22ClFN4O4S2	168	939	5.7	39	4	7	9	"InChI=1S/C27H22ClFN4O4S2/c28-21-15-24(38-16-17-6-2-1-3-7-17)25(14-20(21)26(35)31-19-12-10-18(29)11-13-19)39(36,37)33-27(30)32-22-8-4-5-9-23(22)34/h1-15,34H,16H2,(H,31,35)(H3,30,32,33)"	C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C(=O)NC3=CC=C(C=C3)F)S(=O)(=O)/N=C(/N)\\NC4=CC=CC=C4O	ABEGYZMDLDGKLG-UHFFFAOYSA-N
DG66169	MP 122-123 oC STOR DRI	24205044	CHEMBL2262439; MP 122-123 oC STOR DRI; NSC734076; NSC-734076	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734076	.	.	.	.	327.6	C13H9Cl3N4	43.6	333	4	20	0	3	3	"InChI=1S/C13H9Cl3N4/c14-5-8-2-1-3-9(4-8)6-20-7-17-10-11(15)18-13(16)19-12(10)20/h1-4,7H,5-6H2"	C1=CC(=CC(=C1)CCl)CN2C=NC3=C2N=C(N=C3Cl)Cl	KTYYLJQCFXBJMC-UHFFFAOYSA-N
DG66170	"2,6-Dichloro-7-{[3-(chloromethyl)phenyl]methyl}-7H-purine"	24205045	"924904-13-2; CHEMBL2262431; DTXSID20639836; NSC734077; NSC-734077; 2,6-Dichloro-7-(3-(chloromethyl)benzyl)-7H-purine; 2,6-Dichloro-7-{[3-(chloromethyl)phenyl]methyl}-7H-purine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734077	.	.	.	.	327.6	C13H9Cl3N4	43.6	333	4	20	0	3	3	"InChI=1S/C13H9Cl3N4/c14-5-8-2-1-3-9(4-8)6-20-7-17-12-10(20)11(15)18-13(16)19-12/h1-4,7H,5-6H2"	C1=CC(=CC(=C1)CCl)CN2C=NC3=C2C(=NC(=N3)Cl)Cl	SMTGTLMLUZLZRX-UHFFFAOYSA-N
DG66171	4-[2-[2-(4-Carbamimidoylphenoxy)ethoxy]ethoxy]benzenecarboximidamide;hydrochloride	24205052	"1,5-bis(4-amidinophenoxy)-3-oxapentane dihydrochloride; CHEMBL3287153; NSC734102; NSC-734102"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734102	.	.	.	.	378.9	C18H23ClN4O3	127	379	.	26	5	5	10	"InChI=1S/C18H22N4O3.ClH/c19-17(20)13-1-5-15(6-2-13)24-11-9-23-10-12-25-16-7-3-14(4-8-16)18(21)22;/h1-8H,9-12H2,(H3,19,20)(H3,21,22);1H"	C1=CC(=CC=C1C(=N)N)OCCOCCOC2=CC=C(C=C2)C(=N)N.Cl	UFNJMEIGXONYEV-UHFFFAOYSA-N
DG66172	"6-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine"	24205054	NSC734129; NSC-734129	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734129	.	.	.	.	385.2	C19H14Cl2N4O	76.8	477	5	26	2	4	3	"InChI=1S/C19H14Cl2N4O/c1-26-12-5-2-10(3-6-12)13-9-16(14-8-11(20)4-7-15(14)21)23-19-17(13)18(22)24-25-19/h2-9H,1H3,(H3,22,23,24,25)"	COC1=CC=C(C=C1)C2=CC(=NC3=NNC(=C23)N)C4=C(C=CC(=C4)Cl)Cl	PTZPDGXEKATIBA-UHFFFAOYSA-N
DG66173	"Ethyl 1-amino-6-methyl-4-(4-methylphenyl)-2-thioxo-1, 3, 4-tetrahydropyrimidine-5-carboxylate"	24205057	"NSC734132; NSC-734132; Ethyl 1-amino-6-methyl-4-(4-methylphenyl)-2-thioxo-1, 3, 4-tetrahydropyrimidine-5-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734132	.	.	.	.	305.4	C15H19N3O2S	99.7	456	1.8	21	2	4	4	"InChI=1S/C15H19N3O2S/c1-4-20-14(19)12-10(3)18(16)15(21)17-13(12)11-7-5-9(2)6-8-11/h5-8,13H,4,16H2,1-3H3,(H,17,21)"	CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)C)N)C	GTGDCTHCJZCAPT-UHFFFAOYSA-N
DG66174	"6-(2,5-dichlorophenyl)-4-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine"	24205058	NSC734133; NSC-734133	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734133	.	.	.	.	373.2	C18H11Cl2FN4	67.6	462	5.1	25	2	4	2	"InChI=1S/C18H11Cl2FN4/c19-10-3-6-14(20)13(7-10)15-8-12(9-1-4-11(21)5-2-9)16-17(22)24-25-18(16)23-15/h1-8H,(H3,22,23,24,25)"	C1=CC(=CC=C1C2=CC(=NC3=NNC(=C23)N)C4=C(C=CC(=C4)Cl)Cl)F	SKGJUQFJXSWQSM-UHFFFAOYSA-N
DG66175	"2-(4-Chloro-benzenesulfonylimino)-imidazolidine-1-carbodithi oic acid 3-thioxo-5,1-c][1,2,4] thiadiazol-7-yl ester"	24205066	"CHEMBL446183; NSC734148; NSC-734148; 2-(4-Chloro-benzenesulfonylimino)-imidazolidine-1-carbodithi oic acid 3-thioxo-5,1-c][1,2,4] thiadiazol-7-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734148	.	.	.	.	493.1	C14H13ClN6O2S5	204	836	2.4	28	1	8	5	"InChI=1S/C14H13ClN6O2S5/c15-9-1-3-10(4-2-9)28(22,23)18-11-16-5-6-19(11)14(25)27-21-8-7-20-12(21)17-26-13(20)24/h1-4H,5-8H2,(H,16,18)"	C1CN(C(=N1)NS(=O)(=O)C2=CC=C(C=C2)Cl)C(=S)SN3CCN4C3=NSC4=S	KSWCVGJYBQXXTR-UHFFFAOYSA-N
DG66176	"2-(4-Methoxy-benzenesulfonylimino)-imidazolidine-1-carbodith ioic acid 3-thioxo-5,1-c][1,2,4] thiadiazol-7-yl ester"	24205067	"CHEMBL208987; NSC734149; NSC-734149; 2-(4-Methoxy-benzenesulfonylimino)-imidazolidine-1-carbodith ioic acid 3-thioxo-5,1-c][1,2,4] thiadiazol-7-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734149	.	.	.	.	488.7	C15H16N6O3S5	213	849	1.7	29	1	9	6	"InChI=1S/C15H16N6O3S5/c1-24-10-2-4-11(5-3-10)29(22,23)18-12-16-6-7-19(12)15(26)28-21-9-8-20-13(21)17-27-14(20)25/h2-5H,6-9H2,1H3,(H,16,18)"	COC1=CC=C(C=C1)S(=O)(=O)NC2=NCCN2C(=S)SN3CCN4C3=NSC4=S	WAGGPKJMAYNWJX-UHFFFAOYSA-N
DG66177	"2-[(E)-[2-(4-chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride"	24205073	NSC-734179; CHEMBL1910627; NSC734179	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734179	.	.	.	.	394.2	C15H13Cl2N7O2	140	549	.	26	3	5	3	"InChI=1S/C15H12ClN7O2.ClH/c16-10-5-4-9(7-11(10)23(24)25)14-12(8-19-21-15(17)18)22-6-2-1-3-13(22)20-14;/h1-8H,(H4,17,18,21);1H/b19-8+;"	C1=CC2=NC(=C(N2C=C1)/C=N/N=C(N)N)C3=CC(=C(C=C3)Cl)[N+](=O)[O-].Cl	XBWFASOQFKEYKD-BTSUEJIHSA-N
DG66178	(3Z)-5-hydroxy-3-[(5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one	24205079	NSC734186; NSC-734186	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734186	.	.	.	.	334.4	C20H18N2O3	65.6	563	3.2	25	2	3	2	"InChI=1S/C20H18N2O3/c1-11-6-17-14(9-19(11)25-3)12(10-21-17)7-16-15-8-13(23)4-5-18(15)22(2)20(16)24/h4-10,21,23H,1-3H3/b16-7-"	CC1=CC2=C(C=C1OC)C(=CN2)/C=C\\3/C4=C(C=CC(=C4)O)N(C3=O)C	LTZJROJEKGEBHC-APSNUPSMSA-N
DG66179	(3Z)-3-[(5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one	24205080	NSC734187; NSC-734187	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734187	.	.	.	.	318.4	C20H18N2O2	45.3	532	3.5	24	1	2	2	"InChI=1S/C20H18N2O2/c1-12-8-17-15(10-19(12)24-3)13(11-21-17)9-16-14-6-4-5-7-18(14)22(2)20(16)23/h4-11,21H,1-3H3/b16-9-"	CC1=CC2=C(C=C1OC)C(=CN2)/C=C\\3/C4=CC=CC=C4N(C3=O)C	ANUDEEIEJAULHM-SXGWCWSVSA-N
DG66180	(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-ethylindol-2-one	24205083	NSC734208; NSC-734208	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734208	.	.	.	.	366.8	C21H19ClN2O2	45.3	580	4.9	26	1	2	3	"InChI=1S/C21H19ClN2O2/c1-4-24-18-8-6-5-7-13(18)16(21(24)25)10-15-14-11-19(26-3)12(2)9-17(14)23-20(15)22/h5-11,23H,4H2,1-3H3/b16-10+"	CCN1C2=CC=CC=C2/C(=C\\C3=C(NC4=C3C=C(C(=C4)C)OC)Cl)/C1=O	NKMFMGLPYLRSGB-MHWRWJLKSA-N
DG66181	"4-Imidazo[2,1-b][1,3]thiazol-6-yl-5-nitrobenzene-1,2-diol"	24205086	NSC734219; NSC-734219	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734219	.	.	.	.	277.26	C11H7N3O4S	132	366	2.6	19	2	6	1	"InChI=1S/C11H7N3O4S/c15-9-3-6(8(14(17)18)4-10(9)16)7-5-13-1-2-19-11(13)12-7/h1-5,15-16H"	C1=CSC2=NC(=CN21)C3=CC(=C(C=C3[N+](=O)[O-])O)O	ZZKFODLJYUVDHB-UHFFFAOYSA-N
DG66182	"2[4'Aminobiphenyl]5,6dichlorobenzimidazole"	24205088	"NSC734231; NSC-734231; 2[4'aminobiphenyl]5,6dichlorobenzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734231	.	.	.	.	354.2	C19H13Cl2N3	54.7	419	5.7	24	2	2	2	"InChI=1S/C19H13Cl2N3/c20-15-9-17-18(10-16(15)21)24-19(23-17)13-3-1-11(2-4-13)12-5-7-14(22)8-6-12/h1-10H,22H2,(H,23,24)"	C1=CC(=CC=C1C2=CC=C(C=C2)N)C3=NC4=CC(=C(C=C4N3)Cl)Cl	ZDMGQQVDRCHQSE-UHFFFAOYSA-N
DG66183	"Isoindolo[2,1-a]quinoxaline-6(5H)-one"	24205090	"CHEMBL405989; NSC734235; NSC-734235; isoindolo[2,1-a]quinoxalin-6(5h)-one; isoindolo[1,2-a]quinoxalin-4(5H)-one; Isoindolo[2,1-a]quinoxaline-6(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734235	.	.	.	.	234.25	C15H10N2O	34	356	2.8	18	1	1	0	"InChI=1S/C15H10N2O/c18-15-14-11-6-2-1-5-10(11)9-17(14)13-8-4-3-7-12(13)16-15/h1-9H,(H,16,18)"	C1=CC=C2C(=C1)NC(=O)C3=C4C=CC=CC4=CN23	SCMIDKNBCPXKLK-UHFFFAOYSA-N
DG66184	"6-methylisoindolo[1,2-a]quinoxalin-4(5H)-one"	24205091	"CHEMBL258890; SCHEMBL4730341; NSC734236; NSC-734236; 6-methylisoindolo[1,2-a]quinoxalin-4(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734236	.	.	.	.	248.28	C16H12N2O	34	383	3.2	19	1	1	0	"InChI=1S/C16H12N2O/c1-10-5-4-8-13-14(10)17-16(19)15-12-7-3-2-6-11(12)9-18(13)15/h2-9H,1H3,(H,17,19)"	CC1=C2C(=CC=C1)N3C=C4C=CC=CC4=C3C(=O)N2	SYDOFTITSJEAJU-UHFFFAOYSA-N
DG66185	"7-methoxyisoindolo[1,2-a]quinoxalin-4(5H)one"	24205092	"CHEMBL406836; SCHEMBL4731360; NSC734237; NSC-734237; 7-methoxyisoindolo[1,2-a]quinoxalin-4(5H)one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734237	.	.	.	.	264.28	C16H12N2O2	43.3	400	2.8	20	1	2	1	"InChI=1S/C16H12N2O2/c1-20-11-6-7-14-13(8-11)17-16(19)15-12-5-3-2-4-10(12)9-18(14)15/h2-9H,1H3,(H,17,19)"	COC1=CC2=C(C=C1)N3C=C4C=CC=CC4=C3C(=O)N2	MKSBPJHYGYRHHG-UHFFFAOYSA-N
DG66186	"2,3-dichloro-5H-isoindolo[2,1-a]quinoxalin-6-one"	24205093	CHEMBL264932; SCHEMBL4726905; NSC734238; NSC-734238	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734238	.	.	.	.	303.1	C15H8Cl2N2O	34	419	4.1	20	1	1	0	"InChI=1S/C15H8Cl2N2O/c16-10-5-12-13(6-11(10)17)19-7-8-3-1-2-4-9(8)14(19)15(20)18-12/h1-7H,(H,18,20)"	C1=CC2=CN3C4=CC(=C(C=C4NC(=O)C3=C2C=C1)Cl)Cl	XGYXOXWOFSQIGI-UHFFFAOYSA-N
DG66187	"1-Aminomethyl-2-hydroxy-5-p-tolyl-5a,12,12a-tetrahydro-5H-benzo[5,6]cyclohepta[1,2-b]indol-one"	24205100	"NSC734257; NSC-734257; 1-Aminomethyl-2-hydroxy-5-p-tolyl-5a,12,12a-tetrahydro-5H -benzo[5,6]cyclohepta[1,2-b]indol-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734257	.	.	.	.	418.9	C25H23ClN2O2	68.2	602	.	30	3	3	2	"InChI=1S/C25H22N2O2.ClH/c1-15-6-9-17(10-7-15)27-21-12-13-22(28)20(14-26)23(21)19-11-8-16-4-2-3-5-18(16)25(29)24(19)27;/h2-7,9-10,12-13,28H,8,11,14,26H2,1H3;1H"	CC1=CC=C(C=C1)N2C3=C(C4=C2C(=O)C5=CC=CC=C5CC4)C(=C(C=C3)O)CN.Cl	SXQFTTLJLBVXCP-UHFFFAOYSA-N
DG66188	N-(4-chlorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfinylacetamide	24205108	NSC734280; NSC-734280	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734280	.	.	.	.	421.9	C22H16ClN3O2S	91.2	578	4.5	29	1	5	5	"InChI=1S/C22H16ClN3O2S/c23-16-10-12-17(13-11-16)24-20(27)14-29(28)22-21(15-6-2-1-3-7-15)25-18-8-4-5-9-19(18)26-22/h1-13H,14H2,(H,24,27)"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2S(=O)CC(=O)NC4=CC=C(C=C4)Cl	QLVNCXOREMRVNA-UHFFFAOYSA-N
DG66189	"2-Amino-6-(benzylamino)-4-(2,4-dichlorophenyl)pyridine-3,5-dicarbonitrile"	24205131	NSC734395; NSC-734395	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734395	.	.	.	.	394.3	C20H13Cl2N5	98.5	590	5.7	27	2	5	4	"InChI=1S/C20H13Cl2N5/c21-13-6-7-14(17(22)8-13)18-15(9-23)19(25)27-20(16(18)10-24)26-11-12-4-2-1-3-5-12/h1-8H,11H2,(H3,25,26,27)"	C1=CC=C(C=C1)CNC2=C(C(=C(C(=N2)N)C#N)C3=C(C=C(C=C3)Cl)Cl)C#N	NTSDXNRKOZICHM-UHFFFAOYSA-N
DG66190	"2-Amino-6-(benzylamino)-4-(2-chlorophenyl)pyridine-3,5-dicarbonitrile"	24205132	NSC734396; NSC-734396	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734396	.	.	.	.	359.8	C20H14ClN5	98.5	557	5.1	26	2	5	4	"InChI=1S/C20H14ClN5/c21-17-9-5-4-8-14(17)18-15(10-22)19(24)26-20(16(18)11-23)25-12-13-6-2-1-3-7-13/h1-9H,12H2,(H3,24,25,26)"	C1=CC=C(C=C1)CNC2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3Cl)C#N	RAQSSEOQYWZRJK-UHFFFAOYSA-N
DG66191	"5-Fluoro-2'-deoxyuridyl 5-nitrofurfuryl N-(2,3-dihydroxypropyl)-N-(4-chlorobutyl) phosphoramidate"	24205136	"NSC734430; NSC-734430; 5-Fluoro-2'-deoxyuridyl 5-nitrofurfuryl N-(2,3-dihydroxypropyl)-N-(4-chlorobutyl) phosphoramidate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734430	.	.	.	.	614.9	C21H29ClFN4O12P	217	990	-0.6	40	4	14	15	"InChI=1S/C21H29ClFN4O12P/c22-5-1-2-6-25(8-13(29)10-28)40(35,36-11-14-3-4-18(38-14)27(33)34)37-12-17-16(30)7-19(39-17)26-9-15(23)20(31)24-21(26)32/h3-4,9,13,16-17,19,28-30H,1-2,5-8,10-12H2,(H,24,31,32)"	C1C(C(OC1N2C=C(C(=O)NC2=O)F)COP(=O)(N(CCCCCl)CC(CO)O)OCC3=CC=C(O3)[N+](=O)[O-])O	FWMIRWKCPBNBDD-UHFFFAOYSA-N
DG66192	nitrobenzooxepenearylmethylene (F)	24205148	nitrobenzooxepenearylmethylene (F); NSC734468; NSC-734468	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734468	.	.	.	.	313.28	C17H12FNO4	72.1	493	3.7	23	0	5	1	"InChI=1S/C17H12FNO4/c18-13-3-1-11(2-4-13)9-12-7-8-23-16-6-5-14(19(21)22)10-15(16)17(12)20/h1-6,9-10H,7-8H2/b12-9+"	C\\1COC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)/C1=C/C3=CC=C(C=C3)F	UFVWQOMBDNGMOT-FMIVXFBMSA-N
DG66193	"(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimidazol-4-one;hydrofluoride"	24205160	NSC734479; NSC-734479	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734479	.	.	.	.	417.3	C21H15Cl2FN2O2	45.8	615	.	28	1	4	4	"InChI=1S/C21H14Cl2N2O2.FH/c22-16-9-8-15(18(23)12-16)11-19-21(26)25(13-17-7-4-10-27-17)20(24-19)14-5-2-1-3-6-14;/h1-12H,13H2;1H/b19-11-;"	C1=CC=C(C=C1)C2=N/C(=C\\C3=C(C=C(C=C3)Cl)Cl)/C(=O)N2CC4=CC=CO4.F	DLJCJOUXRQBNFU-XHFAFUTOSA-N
DG66194	"(2E)-1-(2,4-Dichlorophenyl)-3-(6-methoxy-2-naphthyl)prop-2-en-1-one"	24205165	"NSC734482; NSC-734482; (2E)-1-(2,4-Dichlorophenyl)-3-(6-methoxy-2-naphthyl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734482	.	.	.	.	357.2	C20H14Cl2O2	26.3	465	6.2	24	0	2	4	"InChI=1S/C20H14Cl2O2/c1-24-17-7-5-14-10-13(2-4-15(14)11-17)3-9-20(23)18-8-6-16(21)12-19(18)22/h2-12H,1H3/b9-3+"	COC1=CC2=C(C=C1)C=C(C=C2)/C=C/C(=O)C3=C(C=C(C=C3)Cl)Cl	WBKJYHBRUZNOHK-YCRREMRBSA-N
DG66195	2-benzhydrylsulfanyl-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide	24205182	NSC734502; NSC-734502	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734502	.	.	.	.	394.9	C22H19ClN2OS	66.8	457	5.7	27	1	3	7	"InChI=1S/C22H19ClN2OS/c23-20-13-7-8-17(14-20)15-24-25-21(26)16-27-22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-15,22H,16H2,(H,25,26)/b24-15+"	C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)N/N=C/C3=CC(=CC=C3)Cl	JNSHIGOJGXSHQW-BUVRLJJBSA-N
DG66196	2-benzhydrylsulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide	24205189	NSC734509; NSC-734509	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734509	.	.	.	.	350.4	C20H18N2O2S	79.9	413	4.4	25	1	4	7	"InChI=1S/C20H18N2O2S/c23-19(22-21-14-18-12-7-13-24-18)15-25-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20H,15H2,(H,22,23)/b21-14+"	C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)N/N=C/C3=CC=CO3	LFYXKHLPWIENNE-KGENOOAVSA-N
DG66197	"Trans-N-{4-(3,4-dimetoxiphenyl-4-aminocarbonyl)cyclohexylmet hyl}benzene sulfonamide."	24205195	"NSC734529; NSC-734529; Trans-N-{4-(3,4-dimetoxiphenyl-4-aminocarbonyl)cyclohexylmet hyl}benzene sulfonamide."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734529	.	.	.	.	432.5	C22H28N2O5S	102	636	3.1	30	2	6	8	"InChI=1S/C22H28N2O5S/c1-28-20-13-12-18(14-21(20)29-2)24-22(25)17-10-8-16(9-11-17)15-23-30(26,27)19-6-4-3-5-7-19/h3-7,12-14,16-17,23H,8-11,15H2,1-2H3,(H,24,25)"	COC1=C(C=C(C=C1)NC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3)OC	AYBMHGXFBDWJKE-UHFFFAOYSA-N
DG66198	"6-[2-(Dimethylamino)ethylamino]-9-methoxyindeno[1,2-c]quinolin-11-one"	24205207	CHEMBL2047424; NSC734625; NSC-734625	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734625	.	.	.	.	347.4	C21H21N3O2	54.5	512	3.7	26	1	5	5	"InChI=1S/C21H21N3O2/c1-24(2)11-10-22-21-19-14-9-8-13(26-3)12-16(14)20(25)18(19)15-6-4-5-7-17(15)23-21/h4-9,12H,10-11H2,1-3H3,(H,22,23)"	CN(C)CCNC1=NC2=CC=CC=C2C3=C1C4=C(C3=O)C=C(C=C4)OC	MYWIUUPHQNZRLA-UHFFFAOYSA-N
DG66199	"6-[3-(Dimethylamino)propylamino]-9-methoxyindeno[1,2-c]quinolin-11-one"	24205208	SCHEMBL3742852; CHEMBL2047425; NSC734626; NSC-734626	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734626	.	.	.	.	361.4	C22H23N3O2	54.5	526	4	27	1	5	6	"InChI=1S/C22H23N3O2/c1-25(2)12-6-11-23-22-20-15-10-9-14(27-3)13-17(15)21(26)19(20)16-7-4-5-8-18(16)24-22/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,23,24)"	CN(C)CCCNC1=NC2=CC=CC=C2C3=C1C4=C(C3=O)C=C(C=C4)OC	JABMALRNMHHOAJ-UHFFFAOYSA-N
DG66200	"6-(4-Acetylanilino)-9-methoxyindeno[1,2-c]quinolin-11-one"	24205210	SCHEMBL3738487; CHEMBL2047435; NSC734628; NSC-734628	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734628	.	.	.	.	394.4	C25H18N2O3	68.3	659	4.9	30	1	5	4	"InChI=1S/C25H18N2O3/c1-14(28)15-7-9-16(10-8-15)26-25-23-18-12-11-17(30-2)13-20(18)24(29)22(23)19-5-3-4-6-21(19)27-25/h3-13H,1-2H3,(H,26,27)"	CC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C5=C(C4=O)C=C(C=C5)OC	HBUCBICCPODGNL-UHFFFAOYSA-N
DG66201	"6-(3-Acetylanilino)-9-methoxyindeno[1,2-c]quinolin-11-one"	24205211	CHEMBL2047434; NSC734629; NSC-734629	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734629	.	.	.	.	394.4	C25H18N2O3	68.3	667	4.9	30	1	5	4	"InChI=1S/C25H18N2O3/c1-14(28)15-6-5-7-16(12-15)26-25-23-18-11-10-17(30-2)13-20(18)24(29)22(23)19-8-3-4-9-21(19)27-25/h3-13H,1-2H3,(H,26,27)"	CC(=O)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C5=C(C4=O)C=C(C=C5)OC	DOAOMJYDQIZIPK-UHFFFAOYSA-N
DG66202	"(NE)-N-[1-[4-[(9-methoxy-11-nitroso-5H-indeno[1,2-c]quinolin-6-yl)amino]phenyl]ethylidene]hydroxylamine"	24205213	CHEMBL2047439; NSC734631; NSC-734631	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734631	.	.	.	.	424.5	C25H20N4O3	99.1	695	5.4	32	3	6	4	"InChI=1S/C25H20N4O3/c1-14(28-30)15-7-9-16(10-8-15)26-25-23-18-12-11-17(32-2)13-20(18)24(29-31)22(23)19-5-3-4-6-21(19)27-25/h3-13,26-27,30H,1-2H3/b28-14+"	C/C(=N\\O)/C1=CC=C(C=C1)NC2=C3C4=C(C=C(C=C4)OC)C(=C3C5=CC=CC=C5N2)N=O	JAJITLIZYOPRFB-CCVNUDIWSA-N
DG66203	"(NZ)-N-[1-[3-[(9-methoxy-11-nitroso-5H-indeno[1,2-c]quinolin-6-yl)amino]phenyl]ethylidene]hydroxylamine"	24205215	NSC734633; NSC-734633	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734633	.	.	.	.	424.5	C25H20N4O3	99.1	703	5.4	32	3	6	4	"InChI=1S/C25H20N4O3/c1-14(28-30)15-6-5-7-16(12-15)26-25-23-18-11-10-17(32-2)13-20(18)24(29-31)22(23)19-8-3-4-9-21(19)27-25/h3-13,26-27,30H,1-2H3/b28-14-"	C/C(=N/O)/C1=CC(=CC=C1)NC2=C3C4=C(C=C(C=C4)OC)C(=C3C5=CC=CC=C5N2)N=O	ARZPKOMJZQRMCB-MUXKCCDJSA-N
DG66204	"9-methoxy-N-(2,3,4-trifluorophenyl)-11-(2,3,4-trifluorophenyl)iminoindeno[1,2-c]quinolin-6-amine"	24205222	NSC734640; NSC-734640	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734640	.	.	.	.	535.4	C29H15F6N3O	46.5	897	7.6	39	1	10	4	"InChI=1S/C29H15F6N3O/c1-39-13-6-7-14-16(12-13)28(36-20-10-8-17(30)24(32)26(20)34)22-15-4-2-3-5-19(15)37-29(23(14)22)38-21-11-9-18(31)25(33)27(21)35/h2-12H,1H3,(H,37,38)"	COC1=CC2=C(C=C1)C3=C(C2=NC4=C(C(=C(C=C4)F)F)F)C5=CC=CC=C5N=C3NC6=C(C(=C(C=C6)F)F)F	ODWFMOXMFKYNDS-UHFFFAOYSA-N
DG66205	"6-(4-Chloroanilino)-9-methoxyindeno[1,2-c]quinolin-11-one"	24205228	CHEMBL2047426; NSC734646; NSC-734646	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734646	.	.	.	.	386.8	C23H15ClN2O2	51.2	579	5.8	28	1	4	3	"InChI=1S/C23H15ClN2O2/c1-28-15-10-11-16-18(12-15)22(27)20-17-4-2-3-5-19(17)26-23(21(16)20)25-14-8-6-13(24)7-9-14/h2-12H,1H3,(H,25,26)"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N=C3NC5=CC=C(C=C5)Cl	KMUSSTSNBHDCHD-UHFFFAOYSA-N
DG66206	"(11Z)-N,9-dimethoxy-11-methoxyiminoindeno[1,2-c]quinolin-6-amine"	24205237	NSC734655; NSC-734655	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734655	.	.	.	.	335.4	C19H17N3O3	65	500	4.2	25	1	6	4	"InChI=1S/C19H17N3O3/c1-23-11-8-9-12-14(10-11)18(21-24-2)16-13-6-4-5-7-15(13)20-19(17(12)16)22-25-3/h4-10H,1-3H3,(H,20,22)/b21-18-"	COC1=CC\\2=C(C=C1)C3=C(/C2=N\\OC)C4=CC=CC=C4N=C3NOC	LUQCLZAWHFUFPP-UZYVYHOESA-N
DG66207	"Benzoic acid 10-hydroxy-11-oxo-5,5]imidazo[1,2-b]isoqu inolin-7-yl ester"	24205252	"NSC734755; NSC-734755; Benzoic acid 10-hydroxy-11-oxo-5,5]imidazo[1,2-b]isoqu inolin-7-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734755	.	.	.	.	370.4	C22H14N2O4	78.9	671	4.5	28	2	5	3	"InChI=1S/C22H14N2O4/c25-17-10-11-18(28-22(27)13-6-2-1-3-7-13)14-12-19-23-15-8-4-5-9-16(15)24(19)21(26)20(14)17/h1-12,23,25H"	C1=CC=C(C=C1)C(=O)OC2=C3C=C4NC5=CC=CC=C5N4C(=O)C3=C(C=C2)O	LDLYUQCKNLCPSZ-UHFFFAOYSA-N
DG66208	"7,6-dimethyl-4-oxo-4H-pyrrolo(3,2,1-ij)quinoli ne-1-carboxylic acid ethyl ester"	24205254	"NSC734757; NSC-734757; 7,6-dimethyl-4-oxo-4H-pyrrolo(3,2,1-ij)quinoli ne-1-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734757	.	.	.	.	301.29	C16H15NO5	88.8	531	1.9	22	2	5	3	"InChI=1S/C16H15NO5/c1-4-22-16(21)13-8(3)17-11(19)5-7(2)12-14(17)9(13)6-10(18)15(12)20/h5-6,18,20H,4H2,1-3H3"	CCOC(=O)C1=C(N2C(=O)C=C(C3=C2C1=CC(=C3O)O)C)C	NBZKPFFUDGFMEE-UHFFFAOYSA-N
DG66209	"4-Ethenyl-4a-hydroxy-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one"	24205264	NSC734791; NSC-734791	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734791	.	.	.	.	372.4	C17H24O9	146	591	-1.7	26	5	9	4	"InChI=1S/C17H24O9/c1-2-8-10(25-7-9-16(22)24-4-3-17(8,9)23)5-11-13(19)15(21)14(20)12(6-18)26-11/h2,7-8,10-15,18-21,23H,1,3-6H2"	C=CC1C(OC=C2C1(CCOC2=O)O)CC3C(C(C(C(O3)CO)O)O)O	CJBJSMYPBGZCNN-UHFFFAOYSA-N
DG66210	"9-Hydroxy-5-propyl-5H-indeno[1,2-b]indol-10-one"	24205265	"NSC734793; NSC-734793; 9-Hydroxy-5-propyl-5H-indeno[1,2-b]indol-10-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734793	.	.	.	.	277.3	C18H15NO2	42.2	423	3.6	21	1	2	2	"InChI=1S/C18H15NO2/c1-2-10-19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-9,20H,2,10H2,1H3"	CCCN1C2=C(C(=CC=C2)O)C3=C1C4=CC=CC=C4C3=O	NMWCXWMDMBFQNU-UHFFFAOYSA-N
DG66211	"9-Hydroxy-5-(4-methoxybenzyl)-5H-indeno[1,2-b]indol-10-one"	24205266	"NSC734794; NSC-734794; 9-Hydroxy-5-(4-methoxybenzyl)-5H-indeno[1,2-b]indol-10-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734794	.	.	.	.	355.4	C23H17NO3	51.5	558	4.4	27	1	3	3	"InChI=1S/C23H17NO3/c1-27-15-11-9-14(10-12-15)13-24-18-7-4-8-19(25)20(18)21-22(24)16-5-2-3-6-17(16)23(21)26/h2-12,25H,13H2,1H3"	COC1=CC=C(C=C1)CN2C3=C(C(=CC=C3)O)C4=C2C5=CC=CC=C5C4=O	IRXVDPURZSJEEU-UHFFFAOYSA-N
DG66212	"9-Hydroxy-5-phenyl-5H-indeno[1,2-b]indol-10-one"	24205267	"NSC734795; NSC-734795; 9-Hydroxy-5-phenyl-5H-indeno[1,2-b]indol-10-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734795	.	.	.	.	311.3	C21H13NO2	42.2	500	4.5	24	1	2	1	"InChI=1S/C21H13NO2/c23-17-12-6-11-16-18(17)19-20(22(16)13-7-2-1-3-8-13)14-9-4-5-10-15(14)21(19)24/h1-12,23H"	C1=CC=C(C=C1)N2C3=C(C(=CC=C3)O)C4=C2C5=CC=CC=C5C4=O	NIWYKJYQHIINEX-UHFFFAOYSA-N
DG66213	"5-O-Methyl 1,3,4-tetrakis(p-tolyl)-7-thiabicyclo[2.2.1]hept-en-5-carb oxylate S-oxide"	24205269	"NSC734875; NSC-734875; 5-O-Methyl 1,3,4-tetrakis(p-tolyl)-7-thiabicyclo[2.2.1]hept-en-5-carb oxylate S-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734875	.	.	.	.	546.7	C36H34O3S	62.6	986	6.7	40	0	4	6	"InChI=1S/C36H34O3S/c1-23-6-14-27(15-7-23)32-33(28-16-8-24(2)9-17-28)36(30-20-12-26(4)13-21-30)31(34(37)39-5)22-35(32,40(36)38)29-18-10-25(3)11-19-29/h6-21,31H,22H2,1-5H3"	CC1=CC=C(C=C1)C2=C(C3(C(CC2(S3=O)C4=CC=C(C=C4)C)C(=O)OC)C5=CC=C(C=C5)C)C6=CC=C(C=C6)C	SUUHTUUSDRWXBW-UHFFFAOYSA-N
DG66214	"5,2,3,4-tetrakis(p-tolyl)7-thiabicyclo[2.2.1]hep t-2-ene S-oxide"	24205271	"NSC734877; NSC-734877; 5,2,3,4-tetrakis(p-tolyl)7-thiabicyclo[2.2.1]hep t-2-ene S-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734877	.	.	.	.	538.7	C36H30N2OS	83.9	1020	5.9	40	0	4	4	"InChI=1S/C36H30N2OS/c1-23-5-13-27(14-6-23)33-34(28-15-7-24(2)8-16-28)36(30-19-11-26(4)12-20-30)32(22-38)31(21-37)35(33,40(36)39)29-17-9-25(3)10-18-29/h5-20,31-32H,1-4H3/t31-,32-,35 ,36 ,40 /m0/s1"	CC1=CC=C(C=C1)C2=C(C3([C@H]([C@@H](C2(S3=O)C4=CC=C(C=C4)C)C#N)C#N)C5=CC=C(C=C5)C)C6=CC=C(C=C6)C	AGERCZBJANMYQO-LDJSEGPWSA-N
DG66215	NSC734912	24205275	"(1S,4R,6R,9R,11R,14R,15R)-14-hydroxy-4,9,14-trimethyl-18-methylidene-5,10,16-trioxatetracyclo[13.3.1.04,6.09,11]nonadecan-17-one; NSC734912; NSC-734912"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734912	.	.	.	.	350.4	C20H30O5	71.6	603	2.3	25	1	5	0	"InChI=1S/C20H30O5/c1-12-13-5-9-19(3)15(25-19)7-10-20(4)14(24-20)6-8-18(2,22)16(11-13)23-17(12)21/h13-16,22H,1,5-11H2,2-4H3/t13-,14+,15+,16+,18+,19+,20+/m0/s1"	C[C@@]12CC[C@H]3C[C@H]([C@](CC[C@@H]4[C@](O4)(CC[C@H]1O2)C)(C)O)OC(=O)C3=C	NSYYMNPKVDJSPB-YDEBIOCVSA-N
DG66216	NSC734913	24205276	"(1S,4S,6S,9R,11R,14R,15R)-14-hydroxy-4,9,14-trimethyl-18-methylidene-5,10,16-trioxatetracyclo[13.3.1.04,6.09,11]nonadecan-17-one; NSC734913; NSC-734913"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734913	.	.	.	.	350.4	C20H30O5	71.6	603	2.3	25	1	5	0	"InChI=1S/C20H30O5/c1-12-13-5-9-19(3)15(25-19)7-10-20(4)14(24-20)6-8-18(2,22)16(11-13)23-17(12)21/h13-16,22H,1,5-11H2,2-4H3/t13-,14+,15-,16+,18+,19-,20+/m0/s1"	C[C@]12CC[C@H]3C[C@H]([C@](CC[C@@H]4[C@](O4)(CC[C@@H]1O2)C)(C)O)OC(=O)C3=C	NSYYMNPKVDJSPB-JTBPYRKJSA-N
DG66217	NSC734916	24205279	"[(1S,3R,13S,14R,15R)-3-hydroxy-9,13-dimethyl-18-methylidene-17-oxospiro[8,16-dioxatricyclo[13.3.0.07,9]octadecane-4,2'-oxirane]-14-yl] acetate; NSC734916; NSC-734916"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734916	.	.	.	.	408.5	C22H32O7	97.9	705	2.1	29	1	7	2	"InChI=1S/C22H32O7/c1-12-6-5-8-21(4)17(29-21)7-9-22(11-26-22)16(24)10-15-13(2)20(25)28-19(15)18(12)27-14(3)23/h12,15-19,24H,2,5-11H2,1,3-4H3/t12-,15-,16+,17 ,18+,19+,21 ,22 /m0/s1"	C[C@H]1CCCC2(C(O2)CCC3(CO3)[C@@H](C[C@@H]4[C@H]([C@@H]1OC(=O)C)OC(=O)C4=C)O)C	HEYHFTKRUGDUMY-KVBDNKRGSA-N
DG66218	"N-(4-aminophenyl)-4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]benzamide"	24205282	NSC734945; NSC-734945	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734945	.	.	.	.	383.5	C25H25N3O	58.4	560	4.5	29	2	3	5	"InChI=1S/C25H25N3O/c1-18(16-28-15-14-20-4-2-3-5-22(20)17-28)19-6-8-21(9-7-19)25(29)27-24-12-10-23(26)11-13-24/h2-13H,1,14-17,26H2,(H,27,29)"	C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N	KCWZDFHMODGEBY-UHFFFAOYSA-N
DG66219	"N-(2-aminophenyl)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]butanamide"	24205285	NSC734948; NSC-734948	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734948	.	.	.	.	425.6	C28H31N3O	58.4	612	5.1	32	2	3	8	"InChI=1S/C28H31N3O/c1-21(19-31-18-17-24-8-2-3-9-25(24)20-31)23-15-13-22(14-16-23)7-6-12-28(32)30-27-11-5-4-10-26(27)29/h2-5,8-11,13-16H,1,6-7,12,17-20,29H2,(H,30,32)"	C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)CCCC(=O)NC4=CC=CC=C4N	NHPGSZALINOFGE-UHFFFAOYSA-N
DG66220	"4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]-N-pyrazin-2-ylbenzamide"	24205286	NSC734949; NSC-734949	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734949	.	.	.	.	370.4	C23H22N4O	58.1	543	3.3	28	1	4	5	"InChI=1S/C23H22N4O/c1-17(15-27-13-10-19-4-2-3-5-21(19)16-27)18-6-8-20(9-7-18)23(28)26-22-14-24-11-12-25-22/h2-9,11-12,14H,1,10,13,15-16H2,(H,25,26,28)"	C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)C(=O)NC4=NC=CN=C4	JWQQPUFFARWDTJ-UHFFFAOYSA-N
DG66221	Ethyl 3-(tolan-4'-yl)acrylate	24205295	Ethyl 3-(tolan-4'-yl)acrylate; NSC734969; NSC-734969	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734969	.	.	.	.	276.3	C19H16O2	26.3	409	5	21	0	2	6	"InChI=1S/C19H16O2/c1-2-21-19(20)15-14-18-12-10-17(11-13-18)9-8-16-6-4-3-5-7-16/h3-7,10-15H,2H2,1H3/b15-14+"	CCOC(=O)/C=C/C1=CC=C(C=C1)C#CC2=CC=CC=C2	FWXQQVCPLUTFCM-CCEZHUSRSA-N
DG66222	"4-[2-(1H-imidazol-4-yl)ethylamino-4-oxobutyl]-10-methyl-3-ph enyl-4H-indolo[3,2,3]triazolo[1,5-a]pyrimidin-5(10H)-one"	24205296	"CHEMBL260638; NSC734970; NSC-734970; 4-[2-(1H-imidazol-4-yl)ethylamino-4-oxobutyl]-10-methyl-3-ph enyl-4H-indolo[3,2,3]triazolo[1,5-a]pyrimidin-5(10H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734970	.	.	.	.	494.5	C27H26N8O2	114	822	2.6	37	2	5	8	"InChI=1S/C27H26N8O2/c1-33-21-11-6-5-10-20(21)23-25(33)35-26(24(31-32-35)18-8-3-2-4-9-18)34(27(23)37)15-7-12-22(36)29-14-13-19-16-28-17-30-19/h2-6,8-11,16-17H,7,12-15H2,1H3,(H,28,30)(H,29,36)"	CN1C2=CC=CC=C2C3=C1N4C(=C(N=N4)C5=CC=CC=C5)N(C3=O)CCCC(=O)NCCC6=CN=CN6	QTKVHGJQEWRSKU-UHFFFAOYSA-N
DG66223	"4-[3-(dibutylamino)propyl]-10-methyl-3-phenyl-4H-indolo[3,2,3]triazolo[1,5-a]pyrimidin-5(10H)-one"	24205298	"CHEMBL260443; NSC734972; NSC-734972; 4-[3-(dibutylamino)propyl]-10-methyl-3-phenyl-4H-indolo[3,2,3]triazolo[1,5-a]pyrimidin-5(10H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734972	.	.	.	.	484.6	C29H36N6O	59.2	706	5.7	36	0	4	11	"InChI=1S/C29H36N6O/c1-4-6-18-33(19-7-5-2)20-13-21-34-28-26(22-14-9-8-10-15-22)30-31-35(28)27-25(29(34)36)23-16-11-12-17-24(23)32(27)3/h8-12,14-17H,4-7,13,18-21H2,1-3H3"	CCCCN(CCCC)CCCN1C2=C(N=NN2C3=C(C1=O)C4=CC=CC=C4N3C)C5=CC=CC=C5	IRBIDSSCMZPFBK-UHFFFAOYSA-N
DG66224	"2,4,9-Tetrahydrothiazolo[2,3:2',3']pyrimido[5,6-b]indol-4-one"	24205299	"NSC734974; NSC-734974; 2,4,9-Tetrahydrothiazolo[2,3:2',3']pyrimido[5,6-b]indol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734974	.	.	.	.	243.29	C12H9N3OS	73.8	397	2.1	17	1	3	0	"InChI=1S/C12H9N3OS/c16-11-9-7-3-1-2-4-8(7)13-10(9)14-12-15(11)5-6-17-12/h1-4,13H,5-6H2"	C1CSC2=NC3=C(C4=CC=CC=C4N3)C(=O)N21	ZBETZKHOTKMFKP-UHFFFAOYSA-N
DG66225	"6,2-d][1,3]thiazolo[3,2-a]pyrimidin-9(1H)-one"	24205300	"NSC734975; NSC-734975; 6,2-d][1,3]thiazolo[3,2-a]pyrimidin-9(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734975	.	.	.	.	193.23	C8H7N3OS	73.8	291	0.7	13	1	3	0	"InChI=1S/C8H7N3OS/c12-7-6-5(1-2-9-6)10-8-11(7)3-4-13-8/h1-2,9H,3-4H2"	C1CSC2=NC3=C(C(=O)N21)NC=C3	NIEOGBLOEWVJTJ-UHFFFAOYSA-N
DG66226	"Ethyl N-[4-(10-methyl-3-phenyl-4H-indolo[3,2,3]triazolo [1,5-a]pyrimidin-4-yl)butanoyl]glycinate"	24205302	"CHEMBL408916; NSC734977; NSC-734977; Ethyl N-[4-(10-methyl-3-phenyl-4H-indolo[3,2,3]triazolo [1,5-a]pyrimidin-4-yl)butanoyl]glycinate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734977	.	.	.	.	486.5	C26H26N6O4	111	820	2.7	36	1	6	9	"InChI=1S/C26H26N6O4/c1-3-36-21(34)16-27-20(33)14-9-15-31-25-23(17-10-5-4-6-11-17)28-29-32(25)24-22(26(31)35)18-12-7-8-13-19(18)30(24)2/h4-8,10-13H,3,9,14-16H2,1-2H3,(H,27,33)"	CCOC(=O)CNC(=O)CCCN1C2=C(N=NN2C3=C(C1=O)C4=CC=CC=C4N3C)C5=CC=CC=C5	WRRZPXGZABTAFS-UHFFFAOYSA-N
DG66227	"4-[4-N,2-e][1,2,3]triazolo[1,5-a]pyrimidin-5(10H)-one"	24205303	"NSC734978; NSC-734978; 4-[4-N,2-e][1,2,3]triazolo[1,5-a]pyrimidin-5(10H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734978	.	.	.	.	664.8	C37H44N8O4	136	1180	6.2	49	2	7	12	"InChI=1S/C37H44N8O4/c1-43-29-21-12-11-20-28(29)32-34(43)45-35(33(41-42-45)25-14-5-2-6-15-25)44(36(32)48)23-13-22-30(46)38-24-31(47)49-37(39-26-16-7-3-8-17-26)40-27-18-9-4-10-19-27/h2,5-6,11-12,14-15,20-21,26-27H,3-4,7-10,13,16-19,22-24H2,1H3,(H,38,46)(H,39,40)"	CN1C2=CC=CC=C2C3=C1N4C(=C(N=N4)C5=CC=CC=C5)N(C3=O)CCCC(=O)NCC(=O)OC(=NC6CCCCC6)NC7CCCCC7	VJKLMGJDTHEJKA-UHFFFAOYSA-N
DG66228	"Ethyl 3-[2-(methylsulfanyl)-4-oxo-5-phenyl-4,3-d]pyrimidin-3-yl]propanoate"	24205305	"NSC734980; NSC-734980; Ethyl 3-[2-(methylsulfanyl)-4-oxo-5-phenyl-4,3-d]pyrimidin-3-yl]propanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734980	.	.	.	.	371.5	C19H21N3O3S	100	548	3.3	26	1	5	8	"InChI=1S/C19H21N3O3S/c1-3-11-25-15(23)9-10-22-18(24)16-14(13-7-5-4-6-8-13)12-20-17(16)21-19(22)26-2/h4-8,12,20H,3,9-11H2,1-2H3"	CCCOC(=O)CCN1C(=O)C2=C(NC=C2C3=CC=CC=C3)N=C1SC	QQUSHXRJHGMLND-UHFFFAOYSA-N
DG66229	"Ethyl 4-[2-(methylsulfanyl)-4-oxo-5-phenyl-4,3-d]pyrimidin-3-yl]butanoate"	24205306	"NSC734981; NSC-734981; Ethyl 4-[2-(methylsulfanyl)-4-oxo-5-phenyl-4,3-d]pyrimidin-3-yl]butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734981	.	.	.	.	371.5	C19H21N3O3S	100	548	3.1	26	1	5	8	"InChI=1S/C19H21N3O3S/c1-3-25-15(23)10-7-11-22-18(24)16-14(13-8-5-4-6-9-13)12-20-17(16)21-19(22)26-2/h4-6,8-9,12,20H,3,7,10-11H2,1-2H3"	CCOC(=O)CCCN1C(=O)C2=C(NC=C2C3=CC=CC=C3)N=C1SC	XULUWPMSWGDKEI-UHFFFAOYSA-N
DG66230	"Ethyl 4-[6-(2-furyl)-2-(methylsulfanyl)-4-oxo-4,2-d]pyrimidin-3-yl]butanoate"	24205307	"NSC734982; NSC-734982; Ethyl 4-[6-(2-furyl)-2-(methylsulfanyl)-4-oxo-4,2-d]pyrimidin-3-yl]butanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734982	.	.	.	.	361.4	C17H19N3O4S	113	542	2.3	25	1	6	8	"InChI=1S/C17H19N3O4S/c1-3-23-14(21)7-4-8-20-16(22)15-12(19-17(20)25-2)10-11(18-15)13-6-5-9-24-13/h5-6,9-10,18H,3-4,7-8H2,1-2H3"	CCOC(=O)CCCN1C(=O)C2=C(C=C(N2)C3=CC=CO3)N=C1SC	XHAVMRPHKVLXRT-UHFFFAOYSA-N
DG66231	N-[4-[3-[2-[3-(benzenesulfonyl)prop-1-ynyl]phenyl]prop-2-ynoxy]butyl]-1H-indole-2-carboxamide	24205308	NSC734996; NSC-734996	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734996	.	.	.	.	524.6	C31H28N2O4S	96.6	1000	5.2	38	2	4	11	"InChI=1S/C31H28N2O4S/c34-31(30-24-27-14-6-7-19-29(27)33-30)32-20-8-9-21-37-22-10-15-25-12-4-5-13-26(25)16-11-23-38(35,36)28-17-2-1-3-18-28/h1-7,12-14,17-19,24,33H,8-9,20-23H2,(H,32,34)"	C1=CC=C(C=C1)S(=O)(=O)CC#CC2=CC=CC=C2C#CCOCCCCNC(=O)C3=CC4=CC=CC=C4N3	JDEHUGJBNGDFDF-UHFFFAOYSA-N
DG66232	6-[2-[2-(2-Methoxyphenyl)ethynyl]phenyl]hex-5-yn-1-ol	24205309	CHEMBL225919; NSC734997; NSC-734997	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734997	.	.	.	.	304.4	C21H20O2	29.5	469	4.6	23	1	2	7	"InChI=1S/C21H20O2/c1-23-21-14-8-7-13-20(21)16-15-19-12-6-5-11-18(19)10-4-2-3-9-17-22/h5-8,11-14,22H,2-3,9,17H2,1H3"	COC1=CC=CC=C1C#CC2=CC=CC=C2C#CCCCCO	VMQKRCQNXSTSCB-UHFFFAOYSA-N
DG66233	6-[2-(2-Thiophen-2-ylethynyl)phenyl]hex-5-yn-1-ol	24205311	CHEMBL389018; NSC734999; NSC-734999	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734999	.	.	.	.	280.4	C18H16OS	48.5	416	4.3	20	1	2	6	"InChI=1S/C18H16OS/c19-14-6-2-1-3-8-16-9-4-5-10-17(16)12-13-18-11-7-15-20-18/h4-5,7,9-11,15,19H,1-2,6,14H2"	C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=CS2	UHBDIEGBSKMSHL-UHFFFAOYSA-N
DG66234	6-[2-[2-(2-Methylsulfanylphenyl)ethynyl]phenyl]hex-5-yn-1-ol	24205312	CHEMBL226465; NSC735000; NSC-735000	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735000	.	.	.	.	320.4	C21H20OS	45.5	471	5.1	23	1	2	7	"InChI=1S/C21H20OS/c1-23-21-14-8-7-13-20(21)16-15-19-12-6-5-11-18(19)10-4-2-3-9-17-22/h5-8,11-14,22H,2-3,9,17H2,1H3"	CSC1=CC=CC=C1C#CC2=CC=CC=C2C#CCCCCO	LQRAQTIILMNGBL-UHFFFAOYSA-N
DG66235	"1-Methoxy-2-[2-[2-[9-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]nona-1,8-diynyl]phenyl]ethynyl]benzene"	24205313	NSC735002; NSC-735002	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735002	.	.	.	.	532.7	C39H32O2	18.5	977	10.5	41	0	2	12	"InChI=1S/C39H32O2/c1-40-38-26-16-14-24-36(38)30-28-34-22-12-10-20-32(34)18-8-6-4-3-5-7-9-19-33-21-11-13-23-35(33)29-31-37-25-15-17-27-39(37)41-2/h10-17,20-27H,3-7H2,1-2H3"	COC1=CC=CC=C1C#CC2=CC=CC=C2C#CCCCCCC#CC3=CC=CC=C3C#CC4=CC=CC=C4OC	RMUKRHVOEHOOPC-UHFFFAOYSA-N
DG66236	"2-[(3Z,9Z)-12-(2-aminophenyl)dodeca-3,9-dien-1,5,7,11-tetraynyl]aniline"	24205315	CHEMBL468761; NSC735004; NSC-735004	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735004	.	.	.	.	332.4	C24H16N2	52	720	5	26	2	2	3	"InChI=1S/C24H16N2/c25-23-19-13-11-17-21(23)15-9-7-5-3-1-2-4-6-8-10-16-22-18-12-14-20-24(22)26/h5-8,11-14,17-20H,25-26H2/b7-5-,8-6-"	C1=CC=C(C(=C1)C#C/C=C\\C#CC#C/C=C\\C#CC2=CC=CC=C2N)N	FAKSDBCCQYESPK-SFECMWDFSA-N
DG66237	"6,4' Dihydroxy flavone 7-o rhamnoside"	24205317	"NSC735007; NSC-735007; 6,4' dihydroxy flavone 7-o rhamnoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735007	.	.	.	.	476.4	C23H24O11	164	751	1.3	34	5	11	5	"InChI=1S/C23H24O11/c1-9-15(26)17(28)18(29)23(32-9)34-22-20(30-2)16(27)14-12(25)8-13(33-19(14)21(22)31-3)10-4-6-11(24)7-5-10/h4-9,15,17-18,23-24,26-29H,1-3H3"	CC1C(C(C(C(O1)OC2=C(C(=C3C(=O)C=C(OC3=C2OC)C4=CC=C(C=C4)O)O)OC)O)O)O	NRONFVSSFSHDMS-UHFFFAOYSA-N
DG66238	2-Amino-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyridine-3-carbonitrile	24205319	CHEMBL3410020; NSC735026; NSC-735026	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735026	.	.	.	.	280.3	C15H12N4S	95.9	393	2.6	20	1	4	2	"InChI=1S/C15H12N4S/c1-19-6-2-4-13(19)10-8-12(14-5-3-7-20-14)18-15(17)11(10)9-16/h2-8H,1H3,(H2,17,18)"	CN1C=CC=C1C2=CC(=NC(=C2C#N)N)C3=CC=CS3	WIKWYPXMLGXRIS-UHFFFAOYSA-N
DG66239	NSC735040	24205323	"10-(1,3-Dihydroxypropan-2-yloxymethyl)-5,12-dimethyl-7-methylsulfanyl-11-phenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one; NSC735040; NSC-735040"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735040	.	.	.	.	428.5	C21H24N4O4S	125	707	1.6	30	2	6	7	"InChI=1S/C21H24N4O4S/c1-12-16-18(23-21(30-3)25-13(2)20(28)22-19(16)25)24(11-29-15(9-26)10-27)17(12)14-7-5-4-6-8-14/h4-8,13,15,26-27H,9-11H2,1-3H3"	CC1C(=O)N=C2N1C(=NC3=C2C(=C(N3COC(CO)CO)C4=CC=CC=C4)C)SC	JTOFKOHIHMZIEI-UHFFFAOYSA-N
DG66240	NSC735041	24205324	"10-(1,3-Dihydroxypropan-2-yloxymethyl)-5,11,12-trimethyl-7-methylsulfanyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one; NSC735041; NSC-735041"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735041	.	.	.	.	366.4	C16H22N4O4S	125	595	0.3	25	2	6	6	"InChI=1S/C16H22N4O4S/c1-8-9(2)19(7-24-11(5-21)6-22)13-12(8)14-17-15(23)10(3)20(14)16(18-13)25-4/h10-11,21-22H,5-7H2,1-4H3"	CC1C(=O)N=C2N1C(=NC3=C2C(=C(N3COC(CO)CO)C)C)SC	QISWESIGNNQKBY-UHFFFAOYSA-N
DG66241	NSC735043	24205326	"5-(1,3-Dihydroxypropan-2-yloxymethyl)-3,4,10-trimethyl-8-methylsulfanyl-5,7,9,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one; NSC735043; NSC-735043"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735043	.	.	.	.	380.5	C17H24N4O4S	125	610	0.2	26	2	6	6	"InChI=1S/C17H24N4O4S/c1-9-5-13(24)18-16-14-10(2)11(3)20(8-25-12(6-22)7-23)15(14)19-17(26-4)21(9)16/h9,12,22-23H,5-8H2,1-4H3"	CC1CC(=O)N=C2N1C(=NC3=C2C(=C(N3COC(CO)CO)C)C)SC	SKEXALPDIHSTOG-UHFFFAOYSA-N
DG66242	NSC735045	24205328	"10-(1,3-Dihydroxypropan-2-yloxymethyl)-12-methyl-7-methylsulfanyl-11-phenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one; NSC735045; NSC-735045"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735045	.	.	.	.	414.5	C20H22N4O4S	125	677	1.2	29	2	6	7	"InChI=1S/C20H22N4O4S/c1-12-16-18-21-15(27)8-23(18)20(29-2)22-19(16)24(11-28-14(9-25)10-26)17(12)13-6-4-3-5-7-13/h3-7,14,25-26H,8-11H2,1-2H3"	CC1=C(N(C2=C1C3=NC(=O)CN3C(=N2)SC)COC(CO)CO)C4=CC=CC=C4	PQMXTVAAHAHXAR-UHFFFAOYSA-N
DG66243	1-Ethynyl-2-carboethoxyethenylnaphthalene	24205329	NSC735063; NSC-735063; 1-ethynyl-2-carboethoxyethenylnaphthalene	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735063	.	.	.	.	250.29	C17H14O2	26.3	387	4.1	19	0	2	5	"InChI=1S/C17H14O2/c1-3-15-14(11-12-17(18)19-4-2)10-9-13-7-5-6-8-16(13)15/h1,5-12H,4H2,2H3/b12-11+"	CCOC(=O)/C=C/C1=C(C2=CC=CC=C2C=C1)C#C	HFCLILYMRONETA-VAWYXSNFSA-N
DG66244	2-[3-(Pyridin-2-ylsulfanyl)-3-p-tolyl-allylidene]-malononitr ile	24205332	ZINC6275934; NSC735165; NSC-735165; 2-[3-(Pyridin-2-ylsulfanyl)-3-p-tolyl-allylidene]-malononitr ile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735165	.	.	.	.	303.4	C18H13N3S	85.8	505	4.1	22	0	4	4	"InChI=1S/C18H13N3S/c1-14-5-8-16(9-6-14)17(10-7-15(12-19)13-20)22-18-4-2-3-11-21-18/h2-11H,1H3/b17-10-"	CC1=CC=C(C=C1)/C(=C/C=C(C#N)C#N)/SC2=CC=CC=N2	DKYWCQUURFCQDN-YVLHZVERSA-N
DG66245	"4-[2-Chloro-2-(3,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboylic dimethyl ester"	24205333	"NSC735167; ZINC19691791; AKOS024385597; NSC-735167; 4-[2-Chloro-2-(3,6-dimethyl-1,4- dihydro-pyridine-3,5-dicarboylic dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735167	.	.	.	.	430.7	C19H18Cl3NO4	64.599	676	4.9	27	1	5	6	"InChI=1S/C19H18Cl3NO4/c1-9-16(18(24)26-3)12(17(10(2)23-9)19(25)27-4)8-14(21)11-5-6-13(20)15(22)7-11/h5-8,12,23H,1-4H3/b14-8-"	CC1=C(C(C(=C(N1)C)C(=O)OC)/C=C(/C2=CC(=C(C=C2)Cl)Cl)\\Cl)C(=O)OC	DPEAWYLALVJGPN-ZSOIEALJSA-N
DG66246	1-(4-Bromo-phenyl)-3-(4-trifluoromethyl-pyrimidin-2-ylsulfan yl)-propenone	24205335	NSC735170; ZINC16400643; AKOS024386183; NSC-735170; 1-(4-Bromo-phenyl)-3-(4-trifluoromethyl-pyrimidin-2-ylsulfan yl)-propenone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735170	.	.	.	.	389.19	C14H8BrF3N2OS	68.2	411	4.1	22	0	7	4	"InChI=1S/C14H8BrF3N2OS/c15-10-3-1-9(2-4-10)11(21)6-8-22-13-19-7-5-12(20-13)14(16,17)18/h1-8H/b8-6-"	C1=CC(=CC=C1C(=O)/C=C\\SC2=NC=CC(=N2)C(F)(F)F)Br	ZZJWHXCDBSDRLP-VURMDHGXSA-N
DG66247	"4'-(1H-benzimidazol-2-yl)1,1biphenyl-4-amine"	24205338	"NSC735186; NSC-735186; 4'-(1H-benzimidazol-2-yl)1,1biphenyl-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735186	.	.	.	.	285.3	C19H15N3	54.7	356	4.2	22	2	2	2	"InChI=1S/C19H15N3/c20-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-21-17-3-1-2-4-18(17)22-19/h1-12H,20H2,(H,21,22)"	C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)C4=CC=C(C=C4)N	CAJHFCSQQKIMLW-UHFFFAOYSA-N
DG66248	"(2S)-1-[(2-methoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-2-carboxylic acid"	24205343	CHEMBL231290; NSC735207; NSC-735207	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735207	.	.	.	.	393.4	C23H23NO5	68.2	600	2.2	29	1	6	4	"InChI=1S/C23H23NO5/c1-27-16-5-6-17-15(12-24-7-3-2-4-20(24)23(25)26)8-14-9-21-22(29-13-28-21)11-18(14)19(17)10-16/h5-6,8-11,20H,2-4,7,12-13H2,1H3,(H,25,26)/t20-/m0/s1"	COC1=CC2=C3C=C4C(=CC3=CC(=C2C=C1)CN5CCCC[C@H]5C(=O)O)OCO4	ZYUSPOJDSQTADH-FQEVSTJZSA-N
DG66249	"(2S)-1-[(2-phenylmethoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-2-carboxylic acid"	24205345	CHEMBL229088; NSC735209; NSC-735209	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735209	.	.	.	.	469.5	C29H27NO5	68.2	726	3.7	35	1	6	6	"InChI=1S/C29H27NO5/c31-29(32)26-8-4-5-11-30(26)16-21-12-20-13-27-28(35-18-34-27)15-24(20)25-14-22(9-10-23(21)25)33-17-19-6-2-1-3-7-19/h1-3,6-7,9-10,12-15,26H,4-5,8,11,16-18H2,(H,31,32)/t26-/m0/s1"	C1CCN([C@@H](C1)C(=O)O)CC2=C3C=CC(=CC3=C4C=C5C(=CC4=C2)OCO5)OCC6=CC=CC=C6	BDDNZLVIKIKTNJ-SANMLTNESA-N
DG66250	NSC735211	24205348	"N-[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-tris(3-aminopropoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]octan-1-amine; CSA13; NSC735211; NSC-735211"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735211	.	.	.	.	677.1	C41H80N4O3	118	879	7.3	48	4	7	24	"InChI=1S/C41H80N4O3/c1-5-6-7-8-9-10-23-45-24-11-15-31(2)34-16-17-35-39-36(30-38(41(34,35)4)48-27-14-22-44)40(3)19-18-33(46-25-12-20-42)28-32(40)29-37(39)47-26-13-21-43/h31-39,45H,5-30,42-44H2,1-4H3/t31-,32-,33-,34-,35+,36+,37-,38+,39+,40+,41-/m1/s1"	CCCCCCCCNCCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)OCCCN)C)OCCCN)OCCCN)C	YDYLISNLJUDIGF-QLFRQJPNSA-N
DG66251	NSC735212	24205349	"N'-[3-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-tris(3-aminopropoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]propyl]propane-1,3-diamine; NSC735212; NSC-735212"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735212	.	.	.	.	679.1	C39H78N6O3	156	885	3.2	48	6	9	24	"InChI=1S/C39H78N6O3/c1-29(10-4-19-44-21-9-22-45-20-5-15-40)32-11-12-33-37-34(28-36(39(32,33)3)48-25-8-18-43)38(2)14-13-31(46-23-6-16-41)26-30(38)27-35(37)47-24-7-17-42/h29-37,44-45H,4-28,40-43H2,1-3H3/t29-,30-,31-,32-,33+,34+,35-,36+,37+,38+,39-/m1/s1"	C[C@H](CCCNCCCNCCCN)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)OCCCN)C)OCCCN)OCCCN)C	AUUTYQUDFHNMLF-LUQWFGBKSA-N
DG66252	"1,3-bis[(2-chlorophenyl)methyl]-5-[1-[[(1S)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]pyrimidine-2,4-dione"	24205357	NSC735306; NSC-735306	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735306	.	.	.	.	550.5	C30H29Cl2N3O3	72.9	847	5.5	38	2	4	11	"InChI=1S/C30H29Cl2N3O3/c1-2-10-27(33-28(20-36)21-11-4-3-5-12-21)24-19-34(17-22-13-6-8-15-25(22)31)30(38)35(29(24)37)18-23-14-7-9-16-26(23)32/h2-9,11-16,19,27-28,33,36H,1,10,17-18,20H2/t27 ,28-/m1/s1"	C=CCC(C1=CN(C(=O)N(C1=O)CC2=CC=CC=C2Cl)CC3=CC=CC=C3Cl)N[C@H](CO)C4=CC=CC=C4	RGCWMUIONDSNMA-PLYLYKGUSA-N
DG66253	1-[4-[(8-Hydroxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone	24205367	NSC735318; NSC-735318	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735318	.	.	.	.	354.4	C23H18N2O2	62.2	497	4.7	27	2	4	4	"InChI=1S/C23H18N2O2/c1-15(26)16-10-12-18(13-11-16)24-21-14-20(17-6-3-2-4-7-17)25-23-19(21)8-5-9-22(23)27/h2-14,27H,1H3,(H,24,25)"	CC(=O)C1=CC=C(C=C1)NC2=CC(=NC3=C2C=CC=C3O)C4=CC=CC=C4	LSYWEUUKZDERGX-UHFFFAOYSA-N
DG66254	4-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol	24205369	NSC735320; NSC-735320	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735320	.	.	.	.	369.4	C23H19N3O2	77.7	526	5	28	3	5	4	"InChI=1S/C23H19N3O2/c1-15(26-28)16-10-12-18(13-11-16)24-21-14-20(17-6-3-2-4-7-17)25-23-19(21)8-5-9-22(23)27/h2-14,27-28H,1H3,(H,24,25)/b26-15+"	C/C(=N\\O)/C1=CC=C(C=C1)NC2=CC(=NC3=C2C=CC=C3O)C4=CC=CC=C4	AQVOIBXLIULZML-CVKSISIWSA-N
DG66255	4-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol	24205371	NSC735322; NSC-735322	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735322	.	.	.	.	369.4	C23H19N3O2	77.7	534	5	28	3	5	4	"InChI=1S/C23H19N3O2/c1-15(26-28)17-9-5-10-18(13-17)24-21-14-20(16-7-3-2-4-8-16)25-23-19(21)11-6-12-22(23)27/h2-14,27-28H,1H3,(H,24,25)/b26-15+"	C/C(=N\\O)/C1=CC(=CC=C1)NC2=CC(=NC3=C2C=CC=C3O)C4=CC=CC=C4	YSGKLRLZNFIBON-CVKSISIWSA-N
DG66256	4-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol	24205372	NSC735323; NSC-735323	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735323	.	.	.	.	383.4	C24H21N3O2	66.7	548	5.3	29	2	5	5	"InChI=1S/C24H21N3O2/c1-16(27-29-2)18-10-6-11-19(14-18)25-22-15-21(17-8-4-3-5-9-17)26-24-20(22)12-7-13-23(24)28/h3-15,28H,1-2H3,(H,25,26)/b27-16+"	C/C(=N\\OC)/C1=CC(=CC=C1)NC2=CC(=NC3=C2C=CC=C3O)C4=CC=CC=C4	YIZACHMFXPPPJM-JVWAILMASA-N
DG66257	N-[2-(dimethylamino)ethyl]-4-[(8-methoxy-2-phenylquinolin-4-yl)amino]benzamide	24205373	NSC735324; NSC-735324	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735324	.	.	.	.	440.5	C27H28N4O2	66.5	601	4.7	33	2	5	8	"InChI=1S/C27H28N4O2/c1-31(2)17-16-28-27(32)20-12-14-21(15-13-20)29-24-18-23(19-8-5-4-6-9-19)30-26-22(24)10-7-11-25(26)33-3/h4-15,18H,16-17H2,1-3H3,(H,28,32)(H,29,30)"	CN(C)CCNC(=O)C1=CC=C(C=C1)NC2=CC(=NC3=C2C=CC=C3OC)C4=CC=CC=C4	AASMCSSSISYXOJ-UHFFFAOYSA-N
DG66258	N-[2-(2-hydroxyethylamino)ethyl]-4-[(8-methoxy-2-phenylquinolin-4-yl)amino]benzamide	24205374	NSC735325; NSC-735325	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735325	.	.	.	.	456.5	C27H28N4O3	95.5	607	3.5	34	4	6	10	"InChI=1S/C27H28N4O3/c1-34-25-9-5-8-22-24(18-23(31-26(22)25)19-6-3-2-4-7-19)30-21-12-10-20(11-13-21)27(33)29-15-14-28-16-17-32/h2-13,18,28,32H,14-17H2,1H3,(H,29,33)(H,30,31)"	COC1=CC=CC2=C1N=C(C=C2NC3=CC=C(C=C3)C(=O)NCCNCCO)C4=CC=CC=C4	UAGXHPABIXCVMP-UHFFFAOYSA-N
DG66259	3-[(2Z)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-8-methoxybenzo[c]chromen-6-one	24205376	NSC735328; NSC-735328	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735328	.	.	.	.	405.4	C23H19NO6	86.6	617	4.6	30	1	7	6	"InChI=1S/C23H19NO6/c1-27-15-5-3-14(4-6-15)21(24-26)13-29-17-8-10-19-18-9-7-16(28-2)11-20(18)23(25)30-22(19)12-17/h3-12,26H,13H2,1-2H3/b24-21+"	COC1=CC=C(C=C1)/C(=N/O)/COC2=CC3=C(C=C2)C4=C(C=C(C=C4)OC)C(=O)O3	WVYFTZCWGWQWPN-DARPEHSRSA-N
DG66260	3-[(2Z)-2-hydroxyimino-2-(3-methoxyphenyl)ethoxy]-8-methoxybenzo[c]chromen-6-one	24205378	NSC735330; NSC-735330	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735330	.	.	.	.	405.4	C23H19NO6	86.6	625	4.6	30	1	7	6	"InChI=1S/C23H19NO6/c1-27-15-5-3-4-14(10-15)21(24-26)13-29-17-7-9-19-18-8-6-16(28-2)11-20(18)23(25)30-22(19)12-17/h3-12,26H,13H2,1-2H3/b24-21+"	COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OC/C(=N\\O)/C4=CC(=CC=C4)OC)OC2=O	DKPLLWGRXPMOSN-DARPEHSRSA-N
DG66261	4-[(2Z)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one	24205379	NSC735331; NSC-735331	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735331	.	.	.	.	272.25	C15H12O5	61.8	477	1.6	20	0	5	3	"InChI=1S/C15H12O5/c16-14-6-5-10(19-14)7-8-18-13-9-15(17)20-12-4-2-1-3-11(12)13/h1-4,7,9H,5-6,8H2/b10-7-"	C\\1CC(=O)O/C1=C\\COC2=CC(=O)OC3=CC=CC=C32	UNIIBMGMLNSWEH-YFHOEESVSA-N
DG66262	"6,7-dimethyl-4-[(2Z)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one"	24205380	NSC735332; NSC-735332	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735332	.	.	.	.	300.3	C17H16O5	61.8	533	2.4	22	0	5	3	"InChI=1S/C17H16O5/c1-10-7-13-14(9-17(19)22-15(13)8-11(10)2)20-6-5-12-3-4-16(18)21-12/h5,7-9H,3-4,6H2,1-2H3/b12-5-"	CC1=CC2=C(C=C1C)OC(=O)C=C2OC/C=C\\3/CCC(=O)O3	MQOQCBKCAACGAA-XGICHPGQSA-N
DG66263	4-methyl-6-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one	24205381	NSC735333; NSC-735333	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735333	.	.	.	.	286.28	C16H14O5	61.8	505	1.8	21	0	5	3	"InChI=1S/C16H14O5/c1-10-8-16(18)21-14-4-2-12(9-13(10)14)19-7-6-11-3-5-15(17)20-11/h2,4,6,8-9H,3,5,7H2,1H3/b11-6+"	CC1=CC(=O)OC2=C1C=C(C=C2)OC/C=C/3\\CCC(=O)O3	IJDIHXPFYRELIU-IZZDOVSWSA-N
DG66264	7-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one	24205382	NSC735334; NSC-735334	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735334	.	.	.	.	272.25	C15H12O5	61.8	465	1.9	20	0	5	3	"InChI=1S/C15H12O5/c16-14-6-4-11(19-14)7-8-18-12-3-1-10-2-5-15(17)20-13(10)9-12/h1-3,5,7,9H,4,6,8H2/b11-7+"	C\\1CC(=O)O/C1=C/COC2=CC3=C(C=C2)C=CC(=O)O3	XVVQLBLKFRGBEN-YRNVUSSQSA-N
DG66265	4-methyl-7-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one	24205383	NSC735335; NSC-735335	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735335	.	.	.	.	286.28	C16H14O5	61.8	505	2.2	21	0	5	3	"InChI=1S/C16H14O5/c1-10-8-16(18)21-14-9-12(2-4-13(10)14)19-7-6-11-3-5-15(17)20-11/h2,4,6,8-9H,3,5,7H2,1H3/b11-6+"	CC1=CC(=O)OC2=C1C=CC(=C2)OC/C=C/3\\CCC(=O)O3	XVEHIFLVGSYJHF-IZZDOVSWSA-N
DG66266	3-[(2Z)-2-hydroxyiminopropoxy]-8-methoxybenzo[c]chromen-6-one	24205389	NSC735341; NSC-735341	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735341	.	.	.	.	313.3	C17H15NO5	77.4	466	3	23	1	6	4	"InChI=1S/C17H15NO5/c1-10(18-20)9-22-12-4-6-14-13-5-3-11(21-2)7-15(13)17(19)23-16(14)8-12/h3-8,20H,9H2,1-2H3/b18-10-"	C/C(=N/O)/COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OC)C(=O)O2	IQHRIIDMTAUVFB-ZDLGFXPLSA-N
DG66267	"1'-beta-7-(1H-benzoquinazoline-2,4-dione)-2'-deoxy-D-ribofuranose"	24205394	"NSC735362; NSC-735362; 1'-.beta.-7-(1H-benzoquinazoline-2,4-dione)-2'-deoxy-D-ribofuranose"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735362	.	.	.	.	328.32	C17H16N2O5	108	527	0.8	24	4	5	2	"InChI=1S/C17H16N2O5/c20-7-15-13(21)6-14(24-15)9-2-1-8-5-12-11(4-10(8)3-9)16(22)19-17(23)18-12/h1-5,13-15,20-21H,6-7H2,(H2,18,19,22,23)"	C1C(C(OC1C2=CC3=CC4=C(C=C3C=C2)NC(=O)NC4=O)CO)O	YIMUZUWFACTGKI-UHFFFAOYSA-N
DG66268	(3-Methoxyphenyl) 2-(2-chloro-6-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate	24205396	NSC735364; NSC-735364	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735364	.	.	.	.	436.8	C21H16ClF3N2O3	60.4	580	6.6	30	1	8	6	"InChI=1S/C21H16ClF3N2O3/c1-12-5-3-8-16(22)18(12)27-19-15(9-10-17(26-19)21(23,24)25)20(28)30-14-7-4-6-13(11-14)29-2/h3-11H,1-2H3,(H,26,27)"	CC1=C(C(=CC=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)OC3=CC=CC(=C3)OC	GJBCZCMRLDTVFV-UHFFFAOYSA-N
DG66269	"2-Amino-4-(2-chlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile"	24205398	CHEMBL238614; NSC735366; NSC-735366	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735366	.	.	.	.	339.8	C17H14ClN5O	99	534	2.8	24	1	6	2	"InChI=1S/C17H14ClN5O/c18-14-4-2-1-3-11(14)15-12(9-19)16(21)22-17(13(15)10-20)23-5-7-24-8-6-23/h1-4H,5-8H2,(H2,21,22)"	C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3Cl)C#N	UQZMPJFSOLDTGW-UHFFFAOYSA-N
DG66270	"2-Amino-4-(3-hydroxyphenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile"	24205400	CHEMBL395828; NSC735368; NSC-735368	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735368	.	.	.	.	321.33	C17H15N5O2	119	532	1.8	24	2	7	2	"InChI=1S/C17H15N5O2/c18-9-13-15(11-2-1-3-12(23)8-11)14(10-19)17(21-16(13)20)22-4-6-24-7-5-22/h1-3,8,23H,4-7H2,(H2,20,21)"	C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=CC(=CC=C3)O)C#N	SWGZNEVMZZMMLK-UHFFFAOYSA-N
DG66271	"2-Amino-4-(4-chlorophenyl)-6-morpholinopyridine-3,5-dicarbonitrile"	24205401	"CHEMBL241805; NSC735369; NSC-735369; 2-Amino-4-(4-chlorophenyl)-6-morpholinopyridine-3,5-dicarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735369	.	.	.	.	339.8	C17H14ClN5O	99	526	2.8	24	1	6	2	"InChI=1S/C17H14ClN5O/c18-12-3-1-11(2-4-12)15-13(9-19)16(21)22-17(14(15)10-20)23-5-7-24-8-6-23/h1-4H,5-8H2,(H2,21,22)"	C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)Cl)C#N	DETBPYKKSBZMFZ-UHFFFAOYSA-N
DG66272	6-[2-[2-(2-Aminophenyl)ethynyl]phenyl]hex-5-yn-1-ol	24205403	NSC735432; NSC-735432	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735432	.	.	.	.	289.4	C20H19NO	46.2	457	3.9	22	2	2	6	"InChI=1S/C20H19NO/c21-20-13-7-6-12-19(20)15-14-18-11-5-4-10-17(18)9-3-1-2-8-16-22/h4-7,10-13,22H,1-2,8,16,21H2"	C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=CC=C2N	PDXXQBBYKBODQH-UHFFFAOYSA-N
DG66273	"1-[2-[(Z)-6-[2-(trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]piperidin-2-one"	24205406	CHEMBL596576; NSC735435; NSC-735435	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735435	.	.	.	.	393.4	C24H18F3NO	20.3	742	5.6	29	0	4	3	"InChI=1S/C24H18F3NO/c25-24(26,27)21-15-7-5-12-19(21)11-3-1-2-4-13-20-14-6-8-16-22(20)28-18-10-9-17-23(28)29/h1-2,5-8,12,14-16H,9-10,17-18H2/b2-1-"	C1CCN(C(=O)C1)C2=CC=CC=C2C#C/C=C\\C#CC3=CC=CC=C3C(F)(F)F	CDHWFOMAUSEMLA-UPHRSURJSA-N
DG66274	"2-[(Z)-6-(2,3,4,5,6-pentafluorophenyl)hex-3-en-1,5-diynyl]aniline"	24205408	CHEMBL453774; NSC735437; NSC-735437	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735437	.	.	.	.	333.3	C18H8F5N	26	576	4.8	24	1	6	2	"InChI=1S/C18H8F5N/c19-14-12(15(20)17(22)18(23)16(14)21)9-4-2-1-3-7-11-8-5-6-10-13(11)24/h1-2,5-6,8,10H,24H2/b2-1-"	C1=CC=C(C(=C1)C#C/C=C\\C#CC2=C(C(=C(C(=C2F)F)F)F)F)N	JVPLDIVSKCIRML-UPHRSURJSA-N
DG66275	4-[2-[2-(6-Hydroxyhex-1-ynyl)phenyl]ethynyl]phenol	24205412	CHEMBL226363; NSC735441; NSC-735441	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735441	.	.	.	.	290.4	C20H18O2	40.5	447	4.3	22	2	2	6	"InChI=1S/C20H18O2/c21-16-6-2-1-3-7-18-8-4-5-9-19(18)13-10-17-11-14-20(22)15-12-17/h4-5,8-9,11-12,14-15,21-22H,1-2,6,16H2"	C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=C(C=C2)O	ZTMMUWGZXNOEOD-UHFFFAOYSA-N
DG66276	6-[2-[2-[4-(Trifluoromethyl)phenyl]ethynyl]phenyl]hex-5-yn-1-ol	24205415	CHEMBL390072; NSC735444; NSC-735444	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735444	.	.	.	.	342.4	C21H17F3O	20.2	531	5.5	25	1	4	6	"InChI=1S/C21H17F3O/c22-21(23,24)20-14-11-17(12-15-20)10-13-19-9-5-4-8-18(19)7-3-1-2-6-16-25/h4-5,8-9,11-12,14-15,25H,1-2,6,16H2"	C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=C(C=C2)C(F)(F)F	PZINZNCLFVLIBB-UHFFFAOYSA-N
DG66277	10(4-Chloro phenyl)-3-(4-methyl piperazin-1-yl)phenazin-2(10H)-imine	24205416	NSC735465; NSC-735465; 10(4-Chloro phenyl)-3-(4-methyl piperazin-1-yl)phenazin-2(10H)-imine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735465	.	.	.	.	403.9	C23H22ClN5	45.9	740	4.1	29	1	5	2	"InChI=1S/C23H22ClN5/c1-27-10-12-28(13-11-27)22-15-20-23(14-18(22)25)29(17-8-6-16(24)7-9-17)21-5-3-2-4-19(21)26-20/h2-9,14-15,25H,10-13H2,1H3"	CN1CCN(CC1)C2=CC3=NC4=CC=CC=C4N(C3=CC2=N)C5=CC=C(C=C5)Cl	VPIKKFBSCJWEFK-UHFFFAOYSA-N
DG66278	"2-Hydroxy-1-piperidin-1-ylmethyl-5-p-tolyl-11,6]cyclohepta[1,2-b]indol-6-one"	24205417	"NSC735467; NSC-735467; 2-Hydroxy-1-piperidin-1-ylmethyl-5-p-tolyl-11,6]cyclohepta[1,2-b]indol-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735467	.	.	.	.	450.6	C30H30N2O2	45.5	713	6.4	34	1	3	3	"InChI=1S/C30H30N2O2/c1-20-9-12-22(13-10-20)32-26-15-16-27(33)25(19-31-17-5-2-6-18-31)28(26)24-14-11-21-7-3-4-8-23(21)30(34)29(24)32/h3-4,7-10,12-13,15-16,33H,2,5-6,11,14,17-19H2,1H3"	CC1=CC=C(C=C1)N2C3=C(C4=C2C(=O)C5=CC=CC=C5CC4)C(=C(C=C3)O)CN6CCCCC6	HWAXMFSRLXMUMM-UHFFFAOYSA-N
DG66279	"2-Hydroxy-1-morpholin-4-ylmethyl-5-p-tolyl-11,6]cyclohepta[1,2-b]indol-6-one"	24205419	"NSC735469; NSC-735469; 2-Hydroxy-1-morpholin-4-ylmethyl-5-p-tolyl-11,6]cyclohepta[1,2-b]indol-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735469	.	.	.	.	452.5	C29H28N2O3	54.7	716	5.2	34	1	4	3	"InChI=1S/C29H28N2O3/c1-19-6-9-21(10-7-19)31-25-12-13-26(32)24(18-30-14-16-34-17-15-30)27(25)23-11-8-20-4-2-3-5-22(20)29(33)28(23)31/h2-7,9-10,12-13,32H,8,11,14-18H2,1H3"	CC1=CC=C(C=C1)N2C3=C(C4=C2C(=O)C5=CC=CC=C5CC4)C(=C(C=C3)O)CN6CCOCC6	RDDIETKPKJIJDX-UHFFFAOYSA-N
DG66280	"2-Hydroxy-5-(4methoxyphenyl)-1-morpholin-4-ylmethyl-11,6]cyclohepta[1,2-b]indol-6-one"	24205421	"NSC735471; NSC-735471; 2-Hydroxy-5-(4methoxyphenyl)-1-morpholin-4-ylmethyl-11,6]cyclohepta[1,2-b]indol-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735471	.	.	.	.	468.5	C29H28N2O4	63.9	734	4.8	35	1	5	4	"InChI=1S/C29H28N2O4/c1-34-21-9-7-20(8-10-21)31-25-12-13-26(32)24(18-30-14-16-35-17-15-30)27(25)23-11-6-19-4-2-3-5-22(19)29(33)28(23)31/h2-5,7-10,12-13,32H,6,11,14-18H2,1H3"	COC1=CC=C(C=C1)N2C3=C(C4=C2C(=O)C5=CC=CC=C5CC4)C(=C(C=C3)O)CN6CCOCC6	FXVVXGOZPPELEX-UHFFFAOYSA-N
DG66281	"(2E,9Z)-2,9,16-heptadecatrien-4,6-diyn-1,8-diol"	24205422	"(2E,9Z)-2,9,16-heptadecatrien-4,6-diyn-1,8-diol; NSC735473; NSC-735473; (2E,8R,9Z)-2,9,16-Heptadecatriene-4,6-diyne-1,8-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735473	.	.	.	.	258.35	C17H22O2	40.5	417	3.7	19	2	2	9	"InChI=1S/C17H22O2/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18/h2,10-11,13-14,17-19H,1,3-6,8,16H2/b13-10+,14-11-/t17-/m1/s1"	C=CCCCCC/C=C\\[C@H](C#CC#C/C=C/CO)O	UOQDNDFAPLNEJQ-BWWIHZRHSA-N
DG66282	"N-(2,6-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-5-methyl-3-phenyl-1H-indole-2-carboxamide"	24205425	NSC735519; NSC-735519	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735519	.	.	.	.	447.6	C26H29N3O2S	90.5	726	6.4	32	2	3	2	"InChI=1S/C26H29N3O2S/c1-16-12-13-21-20(15-16)22(19-10-5-4-6-11-19)23(27-21)24(30)28-29-25(31)18(3)32-26(29)14-8-7-9-17(26)2/h4-6,10-13,15,17-18,27H,7-9,14H2,1-3H3,(H,28,30)"	CC1CCCCC12N(C(=O)C(S2)C)NC(=O)C3=C(C4=C(N3)C=CC(=C4)C)C5=CC=CC=C5	CNSZBMGIEYPERN-UHFFFAOYSA-N
DG66283	5-methyl-N-(7-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide	24205426	NSC735520; NSC-735520	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735520	.	.	.	.	433.6	C25H27N3O2S	90.5	696	6	31	2	3	2	"InChI=1S/C25H27N3O2S/c1-16-10-11-20-19(13-16)22(18-8-4-3-5-9-18)23(26-20)24(30)27-28-21(29)15-31-25(28)12-6-7-17(2)14-25/h3-5,8-11,13,17,26H,6-7,12,14-15H2,1-2H3,(H,27,30)"	CC1CCCC2(C1)N(C(=O)CS2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)C)C5=CC=CC=C5	KAIPMRPERIKUSK-UHFFFAOYSA-N
DG66284	5-bromo-N-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide	24205438	NSC735532; NSC-735532	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735532	.	.	.	.	498.4	C24H24BrN3O2S	90.5	694	6.2	31	2	3	2	"InChI=1S/C24H24BrN3O2S/c1-15-23(30)28(24(31-15)12-6-3-7-13-24)27-22(29)21-20(16-8-4-2-5-9-16)18-14-17(25)10-11-19(18)26-21/h2,4-5,8-11,14-15,26H,3,6-7,12-13H2,1H3,(H,27,29)"	CC1C(=O)N(C2(S1)CCCCC2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)Br)C5=CC=CC=C5	QVXVNCRZHRJCEN-UHFFFAOYSA-N
DG66285	5-fluoro-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]de c-4-yl)-3-phenyl-1H-indole-2-carboxamide	24205446	NSC735540; NSC-735540; 5-fluoro-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]de c-4-yl)-3-phenyl-1H-indole-2-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735540	.	.	.	.	513.6	C30H28FN3O2S	90.5	837	6.9	37	2	4	3	"InChI=1S/C30H28FN3O2S/c1-19-29(36)34(30(37-19)16-14-21(15-17-30)20-8-4-2-5-9-20)33-28(35)27-26(22-10-6-3-7-11-22)24-18-23(31)12-13-25(24)32-27/h2-13,18-19,21,32H,14-17H2,1H3,(H,33,35)"	CC1C(=O)N(C2(S1)CCC(CC2)C3=CC=CC=C3)NC(=O)C4=C(C5=C(N4)C=CC(=C5)F)C6=CC=CC=C6	NHSMMMMHDJHGKL-UHFFFAOYSA-N
DG66286	"N-(4'-Hydroxy-3'-methoxy-cinnamoyl)-3-O-methyl-17alpha(amino methyl)estra-1,5(10)-trien-3,17b-diol"	24205448	"NSC735779; NSC-735779; N-(4'-Hydroxy-3'-methoxy-cinnamoyl)-3-O-methyl-17alpha(amino methyl)estra-1,5(10)-trien-3,17b-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735779	.	.	.	.	491.6	C30H37NO5	88	817	5.1	36	3	5	6	"InChI=1S/C30H37NO5/c1-29-14-12-23-22-9-7-21(35-2)17-20(22)6-8-24(23)25(29)13-15-30(29,34)18-31-28(33)11-5-19-4-10-26(32)27(16-19)36-3/h4-5,7,9-11,16-17,23-25,32,34H,6,8,12-15,18H2,1-3H3,(H,31,33)/b11-5+/t23 ,24 ,25 ,29-,30+/m0/s1"	C[C@]12CCC3C(C1CC[C@]2(CNC(=O)/C=C/C4=CC(=C(C=C4)O)OC)O)CCC5=C3C=CC(=C5)OC	ALPYCJKNTCKLGE-JPJKIRGJSA-N
DG66287	"3-(E)-Ethoxycarbonylethenyl-4-(thien-2'-yl)-1,2-dihydronapht halene"	24205449	"NSC735780; NSC-735780; 3-(E)-Ethoxycarbonylethenyl-4-(thien-2'-yl)-1,2-dihydronapht halene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735780	.	.	.	.	310.4	C19H18O2S	54.5	466	4.1	22	0	3	5	"InChI=1S/C19H18O2S/c1-2-21-18(20)12-11-15-10-9-14-6-3-4-7-16(14)19(15)17-8-5-13-22-17/h3-8,11-13H,2,9-10H2,1H3/b12-11+"	CCOC(=O)/C=C/C1=C(C2=CC=CC=C2CC1)C3=CC=CS3	URTMJUAMFCFWJD-VAWYXSNFSA-N
DG66288	"(5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol"	24205451	NSC735809; NSC-735809	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735809	.	.	.	.	368.4	C19H20N4O4	131	475	1.2	27	5	8	7	"InChI=1S/C19H20N4O4/c24-11-16(26)18(27)15(25)10-20-23-19-17(12-6-2-1-3-7-12)21-13-8-4-5-9-14(13)22-19/h1-10,15-16,18,24-27H,11H2,(H,22,23)/b20-10+"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2N/N=C/C(C(C(CO)O)O)O	XTHMAXOETJHZRF-KEBDBYFISA-N
DG66289	"N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide"	24205454	CHEMBL519194; NSC735812; NSC-735812	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735812	.	.	.	.	394.2	C18H14Cl2FN3O2	70.2	601	3.4	26	3	3	3	"InChI=1S/C18H14Cl2FN3O2/c1-9-15(17(25)23-12-5-6-14(21)13(20)8-12)16(24-18(26)22-9)10-3-2-4-11(19)7-10/h2-8,16H,1H3,(H,23,25)(H2,22,24,26)"	CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)Cl)C(=O)NC3=CC(=C(C=C3)F)Cl	RUAGSHFYMGECDP-UHFFFAOYSA-N
DG66290	"N-(3-chloro-4-fluorophenyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide"	24205456	NSC735814; NSC-735814	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735814	.	.	.	.	375.8	C18H15ClFN3O3	90.5	600	2.4	26	4	4	3	"InChI=1S/C18H15ClFN3O3/c1-9-15(17(25)22-11-5-6-14(20)13(19)8-11)16(23-18(26)21-9)10-3-2-4-12(24)7-10/h2-8,16,24H,1H3,(H,22,25)(H2,21,23,26)"	CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)O)C(=O)NC3=CC(=C(C=C3)F)Cl	YIPHLPARQMKDPQ-UHFFFAOYSA-N
DG66291	"N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide"	24205457	NSC735815; NSC-735815	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735815	.	.	.	.	394.2	C18H14Cl2FN3O2	70.2	593	3.4	26	3	3	3	"InChI=1S/C18H14Cl2FN3O2/c1-9-15(17(25)23-12-6-7-14(21)13(20)8-12)16(24-18(26)22-9)10-2-4-11(19)5-3-10/h2-8,16H,1H3,(H,23,25)(H2,22,24,26)"	CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)F)Cl	KAHFQGWVFTXRIF-UHFFFAOYSA-N
DG66292	"Thieno[2,10-dihydrophenanthrene"	24205461	"Thieno[2,10-dihydrophenanthrene; NSC735819; NSC-735819"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735819	.	.	.	.	278.4	C18H14OS	45.3	393	4.5	20	0	2	1	"InChI=1S/C18H14OS/c1-11(19)16-10-13-7-6-12-4-2-3-5-14(12)17(13)15-8-9-20-18(15)16/h2-5,8-10H,6-7H2,1H3"	CC(=O)C1=C2C(=C3C(=C1)CCC4=CC=CC=C43)C=CS2	PJGSBKJPAKPKFW-UHFFFAOYSA-N
DG66293	NSC735821	24205463	"2-(2-hexahydro-1-pyrazinylethyl)-6-[4-[2-(2-hexahydro-1-pyra zinylethyl)-1,3-dihydro-1H-benzo[de]isoquinolin-6-yl]hexahydro-1-pyrazinyl}-2,3-dihyudro-1H-benzo[de]isoquinol ine-1,3-dione; NSC735821; NSC-735821; 2-(2-hexahydro-1-pyrazinylethyl)-6-[4-[2-(2-hexahydro-1-pyra zinylethyl)-1,3-dihydro-1H-benzo[de]isoquinolin-6- yl]hexahydro-1-pyrazinyl}-2,3-dihyudro-1H-benzo[de]isoquinol ine-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735821	.	.	.	.	700.8	C40H44N8O4	112	1240	2.9	52	2	10	8	"InChI=1S/C40H44N8O4/c49-37-29-5-1-3-27-33(9-7-31(35(27)29)39(51)47(37)25-19-43-15-11-41-12-16-43)45-21-23-46(24-22-45)34-10-8-32-36-28(34)4-2-6-30(36)38(50)48(40(32)52)26-20-44-17-13-42-14-18-44/h1-10,41-42H,11-26H2"	C1CN(CCN1)CCN2C(=O)C3=C4C(=C(C=C3)N5CCN(CC5)C6=C7C=CC=C8C7=C(C=C6)C(=O)N(C8=O)CCN9CCNCC9)C=CC=C4C2=O	ACJSPSJJRDOWBP-UHFFFAOYSA-N
DG66294	NSC735823	24205465	"2-{2-[4-(3-{4-[2-(6-(4-methylhexahydro-1-pyrazinyl-1,3-dihydro-1H-benzo[de]isoquinolin-2-yl)ethyl]hexahydro-1-pyrazinyl}propyl)hexahydro-1-pyrazinyl]ethyl}-6-(4-methylhex ahydro-1-pyrazinyl)-2,3-dihydro-1H-benzo[de]isoquinoline-1,3-dione; NSC735823; NSC-735823; 2-{2-[4-(3-{4-[2-(6-(4-methylhexahydro-1-pyrazinyl-1,3-dihydro-1H-benzo[de]isoquinolin-2-yl)ethyl]hexahydro-1- pyrazinyl}propyl)hexahydro-1-pyrazinyl]ethyl}-6-(4-methylhex ahydro-1-pyrazinyl)-2,3-dihydro-1H-benzo[de]isoquinoline-1,3 -dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735823	.	.	.	.	855.1	C49H62N10O4	101	1500	4	63	0	12	12	"InChI=1S/C49H62N10O4/c1-50-16-30-56(31-17-50)42-12-10-40-44-36(42)6-3-8-38(44)46(60)58(48(40)62)34-28-54-24-20-52(21-25-54)14-5-15-53-22-26-55(27-23-53)29-35-59-47(61)39-9-4-7-37-43(57-32-18-51(2)19-33-57)13-11-41(45(37)39)49(59)63/h3-4,6-13H,5,14-35H2,1-2H3"	CN1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCN5CCN(CC5)CCCN6CCN(CC6)CCN7C(=O)C8=C9C(=C(C=C8)N1CCN(CC1)C)C=CC=C9C7=O	VWXKLMVZDYKXDU-UHFFFAOYSA-N
DG66295	5-hydroxy-7-{5-[4-(2-oxo-2H-4-chromenyl)hexahydro-1-pyrazinyl]pentyloxy}-2-phenyl-4H-4-chromenone	24205466	NSC735824; NSC-735824; 5-hydroxy-7-{5-[4-(2-oxo-2H-4-chromenyl)hexahydro-1-pyrazinyl]pentyloxy}-2-phenyl-4H-4-chromenone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735824	.	.	.	.	552.6	C33H32N2O6	88.5	982	5.8	41	1	8	9	"InChI=1S/C33H32N2O6/c36-27-19-24(20-31-33(27)28(37)22-30(40-31)23-9-3-1-4-10-23)39-18-8-2-7-13-34-14-16-35(17-15-34)26-21-32(38)41-29-12-6-5-11-25(26)29/h1,3-6,9-12,19-22,36H,2,7-8,13-18H2"	C1CN(CCN1CCCCCOC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O)C5=CC(=O)OC6=CC=CC=C65	YUZMKVMPQAYLPH-UHFFFAOYSA-N
DG66296	"4,6,7-Tetrakis(p-tolyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarb oxanhydride 7-oxide"	24205469	"NSC735843; NSC-735843; 4,6,7-Tetrakis(p-tolyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarb oxanhydride 7-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735843	.	.	.	.	558.7	C36H30O4S	79.6	1030	5.8	41	0	5	4	"InChI=1S/C36H30O4S/c1-21-5-13-25(14-6-21)29-30(26-15-7-22(2)8-16-26)36(28-19-11-24(4)12-20-28)32-31(33(37)40-34(32)38)35(29,41(36)39)27-17-9-23(3)10-18-27/h5-20,31-32H,1-4H3"	CC1=CC=C(C=C1)C2=C(C3(C4C(C2(S3=O)C5=CC=C(C=C5)C)C(=O)OC4=O)C6=CC=C(C=C6)C)C7=CC=C(C=C7)C	SCOPZTOOPMSUIU-UHFFFAOYSA-N
DG66297	"N-(4'-Hydroxy-3'-methoxycinnamoyl)-17a-aminomethyl-estra-1,5(10)-trien-3,17b-diol"	24205473	"NSC735946; NSC-735946; N-(4'-Hydroxy-3'-methoxycinnamoyl)-17a-aminomethyl-estra-1,5(10)-trien-3,17b-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735946	.	.	.	.	477.6	C29H35NO5	99	802	4.7	35	4	5	5	"InChI=1S/C29H35NO5/c1-28-13-11-22-21-8-6-20(31)16-19(21)5-7-23(22)24(28)12-14-29(28,34)17-30-27(33)10-4-18-3-9-25(32)26(15-18)35-2/h3-4,6,8-10,15-16,22-24,31-32,34H,5,7,11-14,17H2,1-2H3,(H,30,33)/b10-4+/t22 ,23 ,24 ,28 ,29-/m1/s1"	CC12CCC3C(C1CC[C@]2(CNC(=O)/C=C/C4=CC(=C(C=C4)O)OC)O)CCC5=C3C=CC(=C5)O	UZUMSBZARFGUGT-ZTCDFVCCSA-N
DG66298	"N-(3',3,5(10)-trien-17b-ol"	24205474	"NSC735947; NSC-735947; N-(3',3,5(10)-trien-17b-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735947	.	.	.	.	477.6	C29H35NO5	99	802	4.7	35	4	5	5	"InChI=1S/C29H35NO5/c1-28-13-11-22-21-8-6-20(35-2)16-19(21)5-7-23(22)24(28)12-14-29(28,34)17-30-27(33)10-4-18-3-9-25(31)26(32)15-18/h3-4,6,8-10,15-16,22-24,31-32,34H,5,7,11-14,17H2,1-2H3,(H,30,33)/b10-4+/t22 ,23 ,24 ,28 ,29-/m1/s1"	CC12CCC3C(C1CC[C@]2(CNC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)CCC5=C3C=CC(=C5)OC	SLGOTVZDYWJTOU-ZTCDFVCCSA-N
DG66299	"2-Amino-4-(5-methylfuran-2-yl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile"	24205478	CHEMBL397882; NSC736016; NSC-736016	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736016	.	.	.	.	309.32	C16H15N5O2	112	517	1.7	23	1	7	2	"InChI=1S/C16H15N5O2/c1-10-2-3-13(23-10)14-11(8-17)15(19)20-16(12(14)9-18)21-4-6-22-7-5-21/h2-3H,4-7H2,1H3,(H2,19,20)"	CC1=CC=C(O1)C2=C(C(=NC(=C2C#N)N3CCOCC3)N)C#N	XUWOAKPBXLKUPS-UHFFFAOYSA-N
DG66300	"2-Amino-6-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile"	24205480	CHEMBL239894; NSC736018; NSC-736018	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736018	.	.	.	.	395.4	C20H21N5O4	127	625	2.1	29	1	9	5	"InChI=1S/C20H21N5O4/c1-26-15-8-12(9-16(27-2)18(15)28-3)17-13(10-21)19(23)24-20(14(17)11-22)25-4-6-29-7-5-25/h8-9H,4-7H2,1-3H3,(H2,23,24)"	COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=C2C#N)N3CCOCC3)N)C#N	GXVDUQFXCRLSSI-UHFFFAOYSA-N
DG66301	"2-Amino-4-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile"	24205481	CHEMBL239678; NSC736019; NSC-736019	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736019	.	.	.	.	335.4	C18H17N5O2	108	538	2.2	25	1	7	3	"InChI=1S/C18H17N5O2/c1-24-13-4-2-12(3-5-13)16-14(10-19)17(21)22-18(15(16)11-20)23-6-8-25-9-7-23/h2-5H,6-9H2,1H3,(H2,21,22)"	COC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)N3CCOCC3)N)C#N	PGRIQJCMNMMQNZ-UHFFFAOYSA-N
DG66302	"2-Amino-6-morpholin-4-yl-4-pyridin-2-ylpyridine-3,5-dicarbonitrile"	24205484	CHEMBL442091; NSC736023; NSC-736023	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736023	.	.	.	.	306.32	C16H14N6O	112	501	1.2	23	1	7	2	"InChI=1S/C16H14N6O/c17-9-11-14(13-3-1-2-4-20-13)12(10-18)16(21-15(11)19)22-5-7-23-8-6-22/h1-4H,5-8H2,(H2,19,21)"	C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=N3)C#N	ODARKOGOAOHPEG-UHFFFAOYSA-N
DG66303	"5-hydroxy-7-[5-(1,4-oxazinan-4-yl)pentyloxy]-2-phenyl-4H-4-c hromenone"	24205486	"NSC736039; NSC-736039; 5-hydroxy-7-[5-(1,4-oxazinan-4-yl)pentyloxy]-2-phenyl-4H-4-c hromenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736039	.	.	.	.	409.5	C24H27NO5	68.2	582	3.2	30	1	6	8	"InChI=1S/C24H27NO5/c26-20-15-19(29-12-6-2-5-9-25-10-13-28-14-11-25)16-23-24(20)21(27)17-22(30-23)18-7-3-1-4-8-18/h1,3-4,7-8,15-17,26H,2,5-6,9-14H2"	C1COCCN1CCCCCOC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O	QCCUOGVSLZZRLA-UHFFFAOYSA-N
DG66304	5-hydroxy-7-[5-(4-methylhexahydro-1-pyrazinyl)pentyloxy]-2-p henyl-4H-4-chromenone	24205487	NSC736040; NSC-736040; 5-hydroxy-7-[5-(4-methylhexahydro-1-pyrazinyl)pentyloxy]-2-p henyl-4H-4-chromenone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736040	.	.	.	.	422.5	C25H30N2O4	62.2	611	3.3	31	1	6	8	"InChI=1S/C25H30N2O4/c1-26-11-13-27(14-12-26)10-6-3-7-15-30-20-16-21(28)25-22(29)18-23(31-24(25)17-20)19-8-4-2-5-9-19/h2,4-5,8-9,16-18,28H,3,6-7,10-15H2,1H3"	CN1CCN(CC1)CCCCCOC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O	DNEYFGXKNRBITD-UHFFFAOYSA-N
DG66305	7-(5-diethylaminopentyloxy)-5-hydroxy-2-phenyl-4H-4-chromeno ne	24205488	NSC736041; NSC-736041; 7-(5-diethylaminopentyloxy)-5-hydroxy-2-phenyl-4H-4-chromeno ne	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736041	.	.	.	.	395.5	C24H29NO4	59	539	4.3	29	1	5	10	"InChI=1S/C24H29NO4/c1-3-25(4-2)13-9-6-10-14-28-19-15-20(26)24-21(27)17-22(29-23(24)16-19)18-11-7-5-8-12-18/h5,7-8,11-12,15-17,26H,3-4,6,9-10,13-14H2,1-2H3"	CCN(CC)CCCCCOC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O	VJHJZVCXVAREJT-UHFFFAOYSA-N
DG66306	"N-(3',3,5(1 0)-triene-3,17b-diol"	24205489	"NSC736043; NSC-736043; N-(3',3,5(1 0)-triene-3,17b-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736043	.	.	.	.	463.6	C28H33NO5	110	787	4.4	34	5	5	4	"InChI=1S/C28H33NO5/c1-27-12-10-21-20-7-5-19(30)15-18(20)4-6-22(21)23(27)11-13-28(27,34)16-29-26(33)9-3-17-2-8-24(31)25(32)14-17/h2-3,5,7-9,14-15,21-23,30-32,34H,4,6,10-13,16H2,1H3,(H,29,33)/b9-3+/t21 ,22 ,23 ,27-,28+/m0/s1"	C[C@]12CCC3C(C1CC[C@]2(CNC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)CCC5=C3C=CC(=C5)O	PVMDSXBGJJZDOU-NWTVKOBKSA-N
DG66307	"N-[2-(4-chlorophenyl)-4-oxo-1,2-a]pyridin-3-yl)urea"	24205494	"NSC736048; NSC-736048; N-[2-(4-chlorophenyl)-4-oxo-1,2-a]pyridin-3-yl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736048	.	.	.	.	401.9	C18H16ClN5O2S	104	574	3.9	27	2	4	2	"InChI=1S/C18H16ClN5O2S/c1-11-16(23-9-3-2-4-14(23)20-11)21-18(26)22-24-15(25)10-27-17(24)12-5-7-13(19)8-6-12/h2-9,17H,10H2,1H3,(H2,21,22,26)"	CC1=C(N2C=CC=CC2=N1)NC(=O)NN3C(SCC3=O)C4=CC=C(C=C4)Cl	MDFHVYCNWPNOPI-UHFFFAOYSA-N
DG66308	"N-[2-(4-methoxyphenyl)-4-oxo-1,2-a]pyridin-3-yl)urea"	24205495	"NSC736049; NSC-736049; N-[2-(4-methoxyphenyl)-4-oxo-1,2-a]pyridin-3-yl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736049	.	.	.	.	397.5	C19H19N5O3S	113	586	3.2	28	2	5	3	"InChI=1S/C19H19N5O3S/c1-12-17(23-10-4-3-5-15(23)20-12)21-19(26)22-24-16(25)11-28-18(24)13-6-8-14(27-2)9-7-13/h3-10,18H,11H2,1-2H3,(H2,21,22,26)"	CC1=C(N2C=CC=CC2=N1)NC(=O)NN3C(SCC3=O)C4=CC=C(C=C4)OC	CSWCCLZIOBHOJN-UHFFFAOYSA-N
DG66309	2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine	24205505	CHEMBL271338; SCHEMBL22828089; BDBM50373527; NSC736060; NSC-736060	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736060	.	.	.	.	413.4	C17H14F3N3O2S2	109	589	3.5	27	1	9	5	"InChI=1S/C17H14F3N3O2S2/c1-27(24,25)13-6-4-11(5-7-13)16-22-14(17(18,19)20)9-15(23-16)21-10-12-3-2-8-26-12/h2-9H,10H2,1H3,(H,21,22,23)"	CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CC=CS3)C(F)(F)F	NHWBUIULKLBZEC-UHFFFAOYSA-N
DG66310	"2-(Toluene-4-sulfonylimino)-imidazolidine-1-carbodithioic acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester"	24205507	"CHEMBL210687; NSC736062; NSC-736062; 2-(Toluene-4-sulfonylimino)-imidazolidine-1-carbodithioic acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736062	.	.	.	.	472.7	C15H16N6O2S5	204	830	2.1	28	1	8	5	"InChI=1S/C15H16N6O2S5/c1-10-2-4-11(5-3-10)28(22,23)18-12-16-6-7-19(12)15(25)27-21-9-8-20-13(21)17-26-14(20)24/h2-5H,6-9H2,1H3,(H,16,18)"	CC1=CC=C(C=C1)S(=O)(=O)NC2=NCCN2C(=S)SN3CCN4C3=NSC4=S	UTMMGDYTYRXGIE-UHFFFAOYSA-N
DG66311	"2-(Naphthalene-1-sulfonylimino)-imidazolidine-1-carbodithioi c acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester"	24205508	"CHEMBL209639; NSC736063; NSC-736063; 2-(Naphthalene-1-sulfonylimino)-imidazolidine-1-carbodithioi c acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736063	.	.	.	.	508.7	C18H16N6O2S5	204	932	3	31	1	8	5	"InChI=1S/C18H16N6O2S5/c25-31(26,14-7-3-5-12-4-1-2-6-13(12)14)21-15-19-8-9-22(15)18(28)30-24-11-10-23-16(24)20-29-17(23)27/h1-7H,8-11H2,(H,19,21)"	C1CN(C(=N1)NS(=O)(=O)C2=CC=CC3=CC=CC=C32)C(=S)SN4CCN5C4=NSC5=S	FAHLYZHSAIWBKO-UHFFFAOYSA-N
DG66312	"2-(4-Bromo-benzenesulfonylimino)-imidazolidine-1-car bodithioic acid 3-thioxo-5,1-c][1,2, 4]thiadiazol-7-yl ester"	24205509	"CHEMBL207001; NSC736064; NSC-736064; 2-(4-Bromo-benzenesulfonylimino)-imidazolidine-1-car bodithioic acid 3-thioxo-5,1-c][1,2, 4]thiadiazol-7-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736064	.	.	.	.	537.5	C14H13BrN6O2S5	204	836	2.4	28	1	8	5	"InChI=1S/C14H13BrN6O2S5/c15-9-1-3-10(4-2-9)28(22,23)18-11-16-5-6-19(11)14(25)27-21-8-7-20-12(21)17-26-13(20)24/h1-4H,5-8H2,(H,16,18)"	C1CN(C(=N1)NS(=O)(=O)C2=CC=C(C=C2)Br)C(=S)SN3CCN4C3=NSC4=S	OPHLBAWCOGSTNY-UHFFFAOYSA-N
DG66313	"2-(4-Trifluoromethoxy-benzenesulfonylimino)-imidazolidine-1-carbodithioic acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester"	24205510	"CHEMBL207439; NSC736065; NSC-736065; 2-(4-Trifluoromethoxy-benzenesulfonylimino)-imidazolidine-1- carbodithioic acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736065	.	.	.	.	542.6	C15H13F3N6O3S5	213	945	2.9	32	1	12	6	"InChI=1S/C15H13F3N6O3S5/c16-15(17,18)27-9-1-3-10(4-2-9)32(25,26)21-11-19-5-6-22(11)14(29)31-24-8-7-23-12(24)20-30-13(23)28/h1-4H,5-8H2,(H,19,21)"	C1CN(C(=N1)NS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)C(=S)SN3CCN4C3=NSC4=S	WXZKRRQPTAOTBE-UHFFFAOYSA-N
DG66314	"2-(4-Phenoxy-benzenesulfonylimino)-imidazolidine-1-carbodith ioic acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester"	24205512	"CHEMBL380107; NSC736067; NSC-736067; 2-(4-Phenoxy-benzenesulfonylimino)-imidazolidine-1-carbodith ioic acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736067	.	.	.	.	550.7	C20H18N6O3S5	213	970	3.3	34	1	9	7	"InChI=1S/C20H18N6O3S5/c27-34(28,16-8-6-15(7-9-16)29-14-4-2-1-3-5-14)23-17-21-10-11-24(17)20(31)33-26-13-12-25-18(26)22-32-19(25)30/h1-9H,10-13H2,(H,21,23)"	C1CN(C(=N1)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C(=S)SN4CCN5C4=NSC5=S	PEMDVGAKLROJCT-UHFFFAOYSA-N
DG66315	"2-(3-Trifluoromethoxy-benzenesulfonylimino)-imidazolidine-1-carbodithioic acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester"	24205513	"CHEMBL378951; NSC736068; NSC-736068; 2-(3-Trifluoromethoxy-benzenesulfonylimino)-imidazolidine-1- carbodithioic acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736068	.	.	.	.	542.6	C15H13F3N6O3S5	213	953	2.9	32	1	12	6	"InChI=1S/C15H13F3N6O3S5/c16-15(17,18)27-9-2-1-3-10(8-9)32(25,26)21-11-19-4-5-22(11)14(29)31-24-7-6-23-12(24)20-30-13(23)28/h1-3,8H,4-7H2,(H,19,21)"	C1CN(C(=N1)NS(=O)(=O)C2=CC=CC(=C2)OC(F)(F)F)C(=S)SN3CCN4C3=NSC4=S	UWEMRDAZSRCRSC-UHFFFAOYSA-N
DG66316	NSC736070	24205515	"(3-Sulfanylidene-5,6-dihydroimidazo[2,1-c][1,2,4]thiadiazol-7-yl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]-4,5-dihydroimidazole-1-carbodithioate; CHEMBL384448; NSC736070; NSC-736070"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736070	.	.	.	.	518.7	C16H18N6O4S5	222	907	1.7	31	1	10	7	"InChI=1S/C16H18N6O4S5/c1-25-11-4-3-10(9-12(11)26-2)31(23,24)19-13-17-5-6-20(13)16(28)30-22-8-7-21-14(22)18-29-15(21)27/h3-4,9H,5-8H2,1-2H3,(H,17,19)"	COC1=C(C=C(C=C1)S(=O)(=O)NC2=NCCN2C(=S)SN3CCN4C3=NSC4=S)OC	ZQRYRWIRCZCNTF-UHFFFAOYSA-N
DG66317	"4-[(Z)-2-(5-nitro-thiophen-2-yl)ethenyl]-6-(4-phenylpiperazi n-1-yl)-1,5-triazin-2-ylamine"	24205521	"NSC736076; NSC-736076; 4-[(Z)-2-(5-nitro-thiophen-2-yl)ethenyl]-6-(4-phenylpiperazi n-1-yl)-1,5-triazin-2-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736076	.	.	.	.	409.5	C19H19N7O2S	145	575	3.9	29	1	9	4	"InChI=1S/C19H19N7O2S/c20-18-21-16(8-6-15-7-9-17(29-15)26(27)28)22-19(23-18)25-12-10-24(11-13-25)14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,20,21,22,23)/b8-6-"	C1CN(CCN1C2=CC=CC=C2)C3=NC(=NC(=N3)N)/C=C\\C4=CC=C(S4)[N+](=O)[O-]	WTCAWLVKUCGNFY-VURMDHGXSA-N
DG66318	"4-[(Z)-2-(5-nitro-thiophen-2-yl)ethenyl]-6-pyrrolidin-1-yl-1,5-triazin-2-ylamine"	24205524	"NSC736079; NSC-736079; 4-[(Z)-2-(5-nitro-thiophen-2-yl)ethenyl]-6-pyrrolidin-1-yl-1 ,5-triazin-2-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736079	.	.	.	.	318.36	C13H14N6O2S	142	425	2.8	22	1	8	3	"InChI=1S/C13H14N6O2S/c14-12-15-10(16-13(17-12)18-7-1-2-8-18)5-3-9-4-6-11(22-9)19(20)21/h3-6H,1-2,7-8H2,(H2,14,15,16,17)/b5-3-"	C1CCN(C1)C2=NC(=NC(=N2)N)/C=C\\C3=CC=C(S3)[N+](=O)[O-]	RWZGMCJKDYCZBW-HYXAFXHYSA-N
DG66319	"4-morpholin-4-yl-6[(Z)-2-(5-nitro-thiophen-2-yl)ethenyl]-1,5-triazin-2-ylamine"	24205526	"NSC736081; NSC-736081; 4-morpholin-4-yl-6[(Z)-2-(5-nitro-thiophen-2-yl)ethenyl]-1,5-triazin-2-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736081	.	.	.	.	334.36	C13H14N6O3S	151	442	1.9	23	1	9	3	"InChI=1S/C13H14N6O3S/c14-12-15-10(3-1-9-2-4-11(23-9)19(20)21)16-13(17-12)18-5-7-22-8-6-18/h1-4H,5-8H2,(H2,14,15,16,17)/b3-1-"	C1COCCN1C2=NC(=NC(=N2)N)/C=C\\C3=CC=C(S3)[N+](=O)[O-]	KDKMGIDTAGPTIE-IWQZZHSRSA-N
DG66320	NSC736100	24205527	"4-[3-[(6aR)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]but-1-en-2-yl]-N-(2-aminophenyl)-N-methylbenzamide; NSC736100; NSC-736100"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736100	.	.	.	.	494.6	C30H30N4O3	87	897	4.3	37	1	4	5	"InChI=1S/C30H30N4O3/c1-19(21-14-16-22(17-15-21)28(35)32(3)26-12-7-5-10-24(26)31)20(2)34-25-11-6-4-9-23(25)29(36)33-18-8-13-27(33)30(34)37/h4-7,9-12,14-17,20,27H,1,8,13,18,31H2,2-3H3/t20 ,27-/m1/s1"	CC(C(=C)C1=CC=C(C=C1)C(=O)N(C)C2=CC=CC=C2N)N3C4=CC=CC=C4C(=O)N5CCC[C@@H]5C3=O	QZLGNGGTBXOXGO-MQBBKVSDSA-N
DG66321	N-(2-aminophenyl)-4-(3-phenothiazin-10-ylprop-1-en-2-yl)benzamide	24205528	NSC736101; NSC-736101	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736101	.	.	.	.	449.6	C28H23N3OS	83.7	669	6.4	33	2	4	5	"InChI=1S/C28H23N3OS/c1-19(18-31-24-10-4-6-12-26(24)33-27-13-7-5-11-25(27)31)20-14-16-21(17-15-20)28(32)30-23-9-3-2-8-22(23)29/h2-17H,1,18,29H2,(H,30,32)"	C=C(CN1C2=CC=CC=C2SC3=CC=CC=C31)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N	WBUBSTOUMGJZTF-UHFFFAOYSA-N
DG66322	"4-[3-[5-[2-(4-Carboxyphenyl)prop-2-enyl]-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]prop-1-en-2-yl]benzoic acid"	24205530	NSC736104; NSC-736104	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736104	.	.	.	.	476.5	C26H24N2O7	132	865	4.1	35	2	7	8	"InChI=1S/C26H24N2O7/c1-15(17-5-9-19(10-6-17)21(29)30)13-26(23(33)27(3)25(35)28(4)24(26)34)14-16(2)18-7-11-20(12-8-18)22(31)32/h5-12H,1-2,13-14H2,3-4H3,(H,29,30)(H,31,32)"	CN1C(=O)C(C(=O)N(C1=O)C)(CC(=C)C2=CC=C(C=C2)C(=O)O)CC(=C)C3=CC=C(C=C3)C(=O)O	SMEHOWYRRKLGPS-UHFFFAOYSA-N
DG66323	"5-methoxy,3-prenyl 7-O-rhamnopyranosido flavone"	24205532	"NSC736112; NSC-736112; 5-methoxy,3-prenyl 7-O-rhamnopyranosido flavone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736112	.	.	.	.	498.5	C27H30O9	135	842	3.1	36	4	9	6	"InChI=1S/C27H30O9/c1-13(2)5-10-18-23(30)21-19(33-4)11-17(35-27-25(32)24(31)22(29)14(3)34-27)12-20(21)36-26(18)15-6-8-16(28)9-7-15/h5-9,11-12,14,22,24-25,27-29,31-32H,10H2,1-4H3"	CC1C(C(C(C(O1)OC2=CC3=C(C(=C2)OC)C(=O)C(=C(O3)C4=CC=C(C=C4)O)CC=C(C)C)O)O)O	UAQRDUFPTMEXHQ-UHFFFAOYSA-N
DG66324	"3,3',5'(10'),6'-Tetraene-1 7'b-yl)cinnamide"	24205536	"NSC736118; NSC-736118; 3,3',5'(10'),6'-tetraene-1 7'b-yl)cinnamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736118	.	.	.	.	445.5	C28H31NO4	78.8	780	5.4	33	3	4	4	"InChI=1S/C28H31NO4/c1-28-14-13-21-20-8-6-19(33-2)16-18(20)5-7-22(21)23(28)9-11-26(28)29-27(32)12-4-17-3-10-24(30)25(31)15-17/h3-8,10,12,15-16,21-23,26,30-31H,9,11,13-14H2,1-2H3,(H,29,32)/b12-4+/t21 ,22 ,23 ,26 ,28-/m0/s1"	C[C@]12CCC3C(C1CCC2NC(=O)/C=C/C4=CC(=C(C=C4)O)O)C=CC5=C3C=CC(=C5)OC	UFYLEPGRBXFLEV-FEEXEYOXSA-N
DG66325	"1-(Benzothien-3'-yl)-3,4-dihydronaphthalene-2-acrylic acid ethyl ester"	24205538	"NSC736122; NSC-736122; 1-(Benzothien-3'-yl)-3,4-dihydronaphthalene-2-acrylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736122	.	.	.	.	360.5	C23H20O2S	54.5	579	5.4	26	0	3	5	"InChI=1S/C23H20O2S/c1-2-25-22(24)14-13-17-12-11-16-7-3-4-8-18(16)23(17)20-15-26-21-10-6-5-9-19(20)21/h3-10,13-15H,2,11-12H2,1H3/b14-13+"	CCOC(=O)/C=C/C1=C(C2=CC=CC=C2CC1)C3=CSC4=CC=CC=C43	QLKWKJREQWEGIG-BUHFOSPRSA-N
DG66326	"N-(1',3,5(10)-triene"	24205539	"N-(1',3,5(10)-triene; NSC736123; NSC-736123"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736123	.	.	.	.	503.8	C28H41NO3S2	109	722	5.2	34	2	5	8	"InChI=1S/C28H41NO3S2/c1-27-14-11-23-22-10-8-20(32-2)17-19(22)7-9-24(23)25(27)12-15-28(27,31)18-29-26(30)6-4-3-5-21-13-16-33-34-21/h8,10,17,21,23-25,31H,3-7,9,11-16,18H2,1-2H3,(H,29,30)"	CC12CCC3C(C1CCC2(CNC(=O)CCCCC4CCSS4)O)CCC5=C3C=CC(=C5)OC	ZKPBHABTXYVMJA-UHFFFAOYSA-N
DG66327	5-methyl-N-[(E)-(4-methylthiophen-2-yl)methylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide	24205551	NSC736151; NSC-736151	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736151	.	.	.	.	444.4	C20H15F3N6OS	113	680	4.5	31	1	9	4	"InChI=1S/C20H15F3N6OS/c1-11-8-13(31-10-11)9-25-27-19(30)17-12(2)29(28-26-17)16-6-7-24-18-14(16)4-3-5-15(18)20(21,22)23/h3-10H,1-2H3,(H,27,30)/b25-9+"	CC1=CSC(=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=C4C=CC=C(C4=NC=C3)C(F)(F)F)C	IVNVUEHTZOKTJJ-YCPBAFNGSA-N
DG66328	(E)-3-(4-hydroxyphenyl)-1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]prop-2-en-1-one	24205552	NSC736153; NSC-736153	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736153	.	.	.	.	424.4	C22H15F3N4O2	80.9	666	4.6	31	1	8	4	"InChI=1S/C22H15F3N4O2/c1-13-20(19(31)10-7-14-5-8-15(30)9-6-14)27-28-29(13)18-11-12-26-21-16(18)3-2-4-17(21)22(23,24)25/h2-12,30H,1H3/b10-7+"	CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C(=O)/C=C/C4=CC=C(C=C4)O	WFRNLZBWGXNHIF-JXMROGBWSA-N
DG66329	"3-(3-Chloro-4-fluorophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	24205555	NSC736156; NSC-736156	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736156	.	.	.	.	348.8	C15H7ClF2N4S	71.3	426	4.4	23	0	6	2	InChI=1S/C15H7ClF2N4S/c16-11-7-9(3-6-12(11)18)13-19-20-15-22(13)21-14(23-15)8-1-4-10(17)5-2-8/h1-7H	C1=CC(=CC=C1C2=NN3C(=NN=C3S2)C4=CC(=C(C=C4)F)Cl)F	LQHKWMOLKUPLJW-UHFFFAOYSA-N
DG66330	"3-(3-Chloro-4-fluorophenyl)-6-(3,5-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	24205556	NSC736157; NSC-736157	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736157	.	.	.	.	399.7	C15H6Cl3FN4S	71.3	454	5.6	24	0	5	2	InChI=1S/C15H6Cl3FN4S/c16-9-3-8(4-10(17)6-9)14-22-23-13(20-21-15(23)24-14)7-1-2-12(19)11(18)5-7/h1-6H	C1=CC(=C(C=C1C2=NN=C3N2N=C(S3)C4=CC(=CC(=C4)Cl)Cl)Cl)F	FSBQPZATLUQZPD-UHFFFAOYSA-N
DG66331	"3-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	24205559	NSC736160; NSC-736160	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736160	.	.	.	.	374.8	C17H12ClFN4OS	77.6	505	4.3	25	0	6	3	"InChI=1S/C17H12ClFN4OS/c1-24-12-5-2-10(3-6-12)15-9-25-17-21-20-16(23(17)22-15)11-4-7-14(19)13(18)8-11/h2-8H,9H2,1H3"	COC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2)C4=CC(=C(C=C4)F)Cl	PEFNTVHMNXHEIS-UHFFFAOYSA-N
DG66332	"3-(3-chloro-4-fluorophenyl)-6-(4-methylsulfanylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	24205560	NSC736161; NSC-736161	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736161	.	.	.	.	390.9	C17H12ClFN4S2	93.7	503	4.8	25	0	6	3	"InChI=1S/C17H12ClFN4S2/c1-24-12-5-2-10(3-6-12)15-9-25-17-21-20-16(23(17)22-15)11-4-7-14(19)13(18)8-11/h2-8H,9H2,1H3"	CSC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2)C4=CC(=C(C=C4)F)Cl	RMWIRAPIZSYYQR-UHFFFAOYSA-N
DG66333	"(4-Fluorophenyl)-[3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]methanone"	24205561	NSC736163; NSC-736163	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736163	.	.	.	.	408.5	C23H18F2N2OS	58	592	5.1	29	0	5	4	"InChI=1S/C23H18F2N2OS/c1-29-20-12-6-15(7-13-20)21-14-22(16-2-8-18(24)9-3-16)27(26-21)23(28)17-4-10-19(25)11-5-17/h2-13,22H,14H2,1H3"	CSC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)F	DSZLMLJWMRYRJX-UHFFFAOYSA-N
DG66334	"(4-Aminophenyl)-[3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]methanone"	24205562	NSC736164; NSC-736164	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736164	.	.	.	.	405.5	C23H20FN3OS	84	591	4.3	29	1	5	4	"InChI=1S/C23H20FN3OS/c1-29-20-12-6-15(7-13-20)21-14-22(16-2-8-18(24)9-3-16)27(26-21)23(28)17-4-10-19(25)11-5-17/h2-13,22H,14,25H2,1H3"	CSC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)N	JCXOZSOZLXGMAB-UHFFFAOYSA-N
DG66335	1N-[4-chloro-2-(2-chloro benzoyl)phenyl]-2-{4-[3-(4-0x0-2-phenyl-4-H-3-chromenyloxy)p ropyl}hexahydro-1-pyrazinyl]acetamide	24205570	SCHEMBL13240126; NSC736178; NSC-736178; 1N-[4-chloro-2-(2-chloro benzoyl)phenyl]-2-{4-[3-(4-0x0-2-phenyl-4-H-3-chromenyloxy)p ropyl}hexahydro-1-pyrazinyl]acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736178	.	.	.	.	670.6	C37H33Cl2N3O5	88.2	1120	7.6	47	1	7	11	"InChI=1S/C37H33Cl2N3O5/c38-26-15-16-31(29(23-26)34(44)27-11-4-6-13-30(27)39)40-33(43)24-42-20-18-41(19-21-42)17-8-22-46-37-35(45)28-12-5-7-14-32(28)47-36(37)25-9-2-1-3-10-25/h1-7,9-16,23H,8,17-22,24H2,(H,40,43)"	C1CN(CCN1CCCOC2=C(OC3=CC=CC=C3C2=O)C4=CC=CC=C4)CC(=O)NC5=C(C=C(C=C5)Cl)C(=O)C6=CC=CC=C6Cl	ULIQALYPWBJSJA-UHFFFAOYSA-N
DG66336	"1,3',5'(10')-Triene-1 7'b-yl)pentanamide"	24205571	"NSC736179; NSC-736179; 1,3',5'(10')-triene-1 7'b-yl)pentanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736179	.	.	.	.	473.7	C27H39NO2S2	88.9	660	4.9	32	1	4	7	"InChI=1S/C27H39NO2S2/c1-27-15-13-22-21-10-8-19(30-2)17-18(21)7-9-23(22)24(27)11-12-25(27)28-26(29)6-4-3-5-20-14-16-31-32-20/h8,10,17,20,22-25H,3-7,9,11-16H2,1-2H3,(H,28,29)"	CC12CCC3C(C1CCC2NC(=O)CCCCC4CCSS4)CCC5=C3C=CC(=C5)OC	JIJOZCQZONMZOR-UHFFFAOYSA-N
DG66337	5-nitro-2'-deoxy-5'-uridyl 4-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate	24205572	NSC736181; NSC-736181; 5-nitro-2'-deoxy-5'-uridyl 4-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736181	.	.	.	.	581.9	C19H25ClN5O12P	222	990	0.4	38	2	13	12	"InChI=1S/C19H25ClN5O12P/c1-22(7-3-2-6-20)38(33,34-10-12-4-5-16(36-12)25(31)32)35-11-15-14(26)8-17(37-15)23-9-13(24(29)30)18(27)21-19(23)28/h4-5,9,14-15,17,26H,2-3,6-8,10-11H2,1H3,(H,21,27,28)"	CN(CCCCCl)P(=O)(OCC1C(CC(O1)N2C=C(C(=O)NC2=O)[N+](=O)[O-])O)OCC3=CC=C(O3)[N+](=O)[O-]	BXIMOHZTGMRCKE-UHFFFAOYSA-N
DG66338	"(9-methoxy-11H-indeno[1,2-c]quinolin-6-yl)hydrazine"	24205577	NSC736186; NSC-736186	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736186	.	.	.	.	277.32	C17H15N3O	60.2	377	3.4	21	2	4	2	"InChI=1S/C17H15N3O/c1-21-11-6-7-12-10(8-11)9-14-13-4-2-3-5-15(13)19-17(20-18)16(12)14/h2-8H,9,18H2,1H3,(H,19,20)"	COC1=CC2=C(C=C1)C3=C(C2)C4=CC=CC=C4N=C3NN	BCNAWKXETTYPNX-UHFFFAOYSA-N
DG66339	3-chloro-N-[3-(3-chlorobutanoylamino)-6-oxobenzo[c]chromen-8-yl]butanamide	24205586	NSC736195; NSC-736195	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736195	.	.	.	.	435.3	C21H20Cl2N2O4	84.5	632	3.3	29	2	4	6	"InChI=1S/C21H20Cl2N2O4/c1-11(22)7-19(26)24-13-3-5-15-16-6-4-14(25-20(27)8-12(2)23)10-18(16)29-21(28)17(15)9-13/h3-6,9-12H,7-8H2,1-2H3,(H,24,26)(H,25,27)"	CC(CC(=O)NC1=CC2=C(C=C1)C3=C(C=C(C=C3)NC(=O)CC(C)Cl)OC2=O)Cl	URXZJNIWQIDISL-UHFFFAOYSA-N
DG66340	"3-Methoxy-estra-1,5(10)-triene-(17,16-c)pyrazole"	24205614	"CHEMBL2205682; BDBM50400840; NSC736241; NSC-736241; 3-Methoxy-estra-1,5(10)-triene-(17,16-c)pyrazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736241	.	.	.	.	308.4	C20H24N2O	37.9	469	4.4	23	1	2	1	"InChI=1S/C20H24N2O/c1-20-8-7-16-15-6-4-14(23-2)9-12(15)3-5-17(16)18(20)10-13-11-21-22-19(13)20/h4,6,9,11,16-18H,3,5,7-8,10H2,1-2H3,(H,21,22)/t16-,17-,18+,20+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC4=C2NN=C4)CCC5=C3C=CC(=C5)OC	RMERJKLVPVISOZ-XSYGEPLQSA-N
DG66341	"4-(Benzothien-2''-yl)-3-acetylethenyl-1,-dihydronaphthalen e"	24205615	"NSC736242; NSC-736242; 4-(Benzothien-2''-yl)-3-acetylethenyl-1,-dihydronaphthalen e"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736242	.	.	.	.	330.4	C22H18OS	45.3	546	4.9	24	0	2	3	"InChI=1S/C22H18OS/c1-15(23)10-11-17-13-12-16-6-2-4-8-19(16)22(17)21-14-18-7-3-5-9-20(18)24-21/h2-11,14H,12-13H2,1H3/b11-10+"	CC(=O)/C=C/C1=C(C2=CC=CC=C2CC1)C3=CC4=CC=CC=C4S3	TWLAAKDEEIVIIY-ZHACJKMWSA-N
DG66342	4-Carbethoxymethyl-2-[2-[(1-pyrolidinyl)thiocarbamoylthio]he xanoylamino]thiazole	24205626	NSC736283; NSC-736283; 4-carbethoxymethyl-2-[2-[(1-pyrolidinyl)thiocarbamoylthio]he xanoylamino]thiazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736283	.	.	.	.	429.6	C18H27N3O3S3	157	515	4	27	1	7	11	"InChI=1S/C18H27N3O3S3/c1-3-5-8-14(27-18(25)21-9-6-7-10-21)16(23)20-17-19-13(12-26-17)11-15(22)24-4-2/h12,14H,3-11H2,1-2H3,(H,19,20,23)"	CCCCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)SC(=S)N2CCCC2	ZLPLVIUKYHPOAQ-UHFFFAOYSA-N
DG66343	"(2E)-2-cyano-2-(6-oxo-2,5-dihydro-[1,2,4]triazolo[3,4-a]phthalazin-3-ylidene)-N-phenylethanethioamide"	24205673	NSC736356; NSC-736356	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736356	.	.	.	.	360.4	C18H12N6OS	125	729	2.9	26	3	5	2	"InChI=1S/C18H12N6OS/c19-10-14(18(26)20-11-6-2-1-3-7-11)16-22-21-15-12-8-4-5-9-13(12)17(25)23-24(15)16/h1-9,22H,(H,20,26)(H,23,25)/b16-14+"	C1=CC=C(C=C1)NC(=S)/C(=C/2\\NN=C3N2NC(=O)C4=CC=CC=C43)/C#N	IWMBVPIUWDCJIB-JQIJEIRASA-N
DG66344	"2-[2-[(N,N-diethylamino)thiocarbamoylthio]hexanoylamino]thia zole"	24205695	"NSC736391; NSC-736391; 2-[2-[(N,N-diethylamino)thiocarbamoylthio]hexanoylamino]thia zole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736391	.	.	.	.	431.6	C18H29N3O3S3	157	490	4.3	27	1	7	13	"InChI=1S/C18H29N3O3S3/c1-5-9-10-14(27-18(25)21(6-2)7-3)16(23)20-17-19-13(12-26-17)11-15(22)24-8-4/h12,14H,5-11H2,1-4H3,(H,19,20,23)"	CCCCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)SC(=S)N(CC)CC	LVVIXBQFWYVYMN-UHFFFAOYSA-N
DG66345	"N'-[2-(1,3-benzoxazol-2-ylamino)-6-methylpyrimidin-4-yl]-2-hydroxybenzohydrazide"	24205702	NSC736401; NSC-736401	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736401	.	.	.	.	376.4	C19H16N6O3	125	538	4.3	28	4	8	5	"InChI=1S/C19H16N6O3/c1-11-10-16(24-25-17(27)12-6-2-4-8-14(12)26)22-18(20-11)23-19-21-13-7-3-5-9-15(13)28-19/h2-10,26H,1H3,(H,25,27)(H2,20,21,22,23,24)"	CC1=CC(=NC(=N1)NC2=NC3=CC=CC=C3O2)NNC(=O)C4=CC=CC=C4O	PAPBSZJINJNVHO-UHFFFAOYSA-N
DG66346	"7-Fluoro-3-trifluoromethyl-6-piperazinyl-2-propanoylquioxali ne 1,4-dioxide"	24205716	"NSC736448; NSC-736448; 7-fluoro-3-trifluoromethyl-6-piperazinyl-2-propanoylquioxali ne 1,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736448	.	.	.	.	388.32	C16H16F4N4O3	78.7	648	0.9	27	1	10	3	"InChI=1S/C16H16F4N4O3/c1-2-13(25)14-15(16(18,19)20)24(27)12-8-10(22-5-3-21-4-6-22)9(17)7-11(12)23(14)26/h7-8,21H,2-6H2,1H3"	CCC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)F)N3CCNCC3)[O-])C(F)(F)F	UIXJAOUOYJRQCU-UHFFFAOYSA-N
DG66347	"Ethyl 3-[4'-(thien-3''-yl)-1',2'-dihydronaphthalen-3'-yl]acrylate"	24205739	"NSC736553; NSC-736553; Ethyl 3-[4'-(thien-3''-yl)-1',2'-dihydronaphthalen-3'-yl]acrylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736553	.	.	.	.	340.4	C20H20O3S	63.8	511	4	24	0	4	6	"InChI=1S/C20H20O3S/c1-3-23-19(21)9-6-14-4-5-15-12-17(22-2)7-8-18(15)20(14)16-10-11-24-13-16/h6-13H,3-5H2,1-2H3/b9-6+"	CCOC(=O)/C=C/C1=C(C2=C(CC1)C=C(C=C2)OC)C3=CSC=C3	QLRFJMGSVNUCGC-RMKNXTFCSA-N
DG66348	"5-hydroxy-3-phenylpyrano[3,2-c]chromen-2(5H)-one"	24205741	"NSC736555; NSC-736555; 5-hydroxy-3-phenylpyrano[3,2-c]chromen-2(5H)-one; alpha-Phenyl-2,4-dihydroxy-2H-1-benzopyran-3-acrylic acid 3,4-lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736555	.	.	.	.	292.3	C18H12O4	55.8	527	2.6	22	1	4	1	"InChI=1S/C18H12O4/c19-17-13(11-6-2-1-3-7-11)10-14-16(22-17)12-8-4-5-9-15(12)21-18(14)20/h1-10,18,20H"	C1=CC=C(C=C1)C2=CC3=C(C4=CC=CC=C4OC3O)OC2=O	DPRQIAWOUAPLMK-UHFFFAOYSA-N
DG66349	"3-(p-tolylthio)-5-ethoxypyrano[3,2-c]chromen-2(5H)-one"	24205749	"NSC736564; NSC-736564; 3-(p-tolylthio)-5-ethoxypyrano[3,2-c]chromen-2(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736564	.	.	.	.	366.4	C21H18O4S	70.1	603	4.5	26	0	5	4	"InChI=1S/C21H18O4S/c1-3-23-21-16-12-18(26-14-10-8-13(2)9-11-14)20(22)25-19(16)15-6-4-5-7-17(15)24-21/h4-12,21H,3H2,1-2H3"	CCOC1C2=C(C3=CC=CC=C3O1)OC(=O)C(=C2)SC4=CC=C(C=C4)C	MPICXUDZYFVPHX-UHFFFAOYSA-N
DG66350	(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-[4-(ethoxymethylamino)phenyl]-2-phenylimidazol-4-one	24205751	NSC736567; NSC-736567	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736567	.	.	.	.	468.6	C29H32N4O2	57.2	725	5.9	35	1	5	10	"InChI=1S/C29H32N4O2/c1-4-32(5-2)25-16-12-22(13-17-25)20-27-29(34)33(28(31-27)23-10-8-7-9-11-23)26-18-14-24(15-19-26)30-21-35-6-3/h7-20,30H,4-6,21H2,1-3H3/b27-20-"	CCN(CC)C1=CC=C(C=C1)/C=C\\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)NCOCC	KNVYLVORIHDNJZ-OOAXWGSJSA-N
DG66351	"2-(11H-indolo[3,2-c]quinolin-6-ylamino)ethanol"	24205771	CHEMBL598855; NSC736606; NSC-736606	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736606	.	.	.	.	277.32	C17H15N3O	60.9	364	3.3	21	3	3	3	"InChI=1S/C17H15N3O/c21-10-9-18-17-15-11-5-1-3-7-13(11)19-16(15)12-6-2-4-8-14(12)20-17/h1-8,19,21H,9-10H2,(H,18,20)"	C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4N=C3NCCO	BKCCPNSLLMMITP-UHFFFAOYSA-N
DG66352	"N-(2-piperazin-1-ylethyl)-11H-indolo[3,2-c]quinolin-6-amine"	24205772	CHEMBL596604; SCHEMBL2963581; NSC736607; NSC-736607	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736607	.	.	.	.	345.4	C21H23N5	56	465	3.4	26	3	4	4	"InChI=1S/C21H23N5/c1-3-7-17-15(5-1)19-20(24-17)16-6-2-4-8-18(16)25-21(19)23-11-14-26-12-9-22-10-13-26/h1-8,22,24H,9-14H2,(H,23,25)"	C1CN(CCN1)CCNC2=NC3=CC=CC=C3C4=C2C5=CC=CC=C5N4	NTOBLLFSZMNFMP-UHFFFAOYSA-N
DG66353	"4-[2-(11H-indolo[3,2-c]quinolin-6-ylamino)ethyl]phenol"	24205773	CHEMBL599640; SCHEMBL2969441; NSC736608; NSC-736608	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736608	.	.	.	.	353.4	C23H19N3O	60.9	492	5.6	27	3	3	4	"InChI=1S/C23H19N3O/c27-16-11-9-15(10-12-16)13-14-24-23-21-17-5-1-3-7-19(17)25-22(21)18-6-2-4-8-20(18)26-23/h1-12,25,27H,13-14H2,(H,24,26)"	C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4N=C3NCCC5=CC=C(C=C5)O	VREWPBBKZDUFKM-UHFFFAOYSA-N
DG66354	"4-[2-(11H-indolo[3,2-c]quinolin-6-ylamino)ethyl]benzene-1,2-diol"	24205774	CHEMBL603250; SCHEMBL2961638; NSC736609; NSC-736609	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736609	.	.	.	.	369.4	C23H19N3O2	81.2	532	5.2	28	4	4	4	"InChI=1S/C23H19N3O2/c27-19-10-9-14(13-20(19)28)11-12-24-23-21-15-5-1-3-7-17(15)25-22(21)16-6-2-4-8-18(16)26-23/h1-10,13,25,27-28H,11-12H2,(H,24,26)"	C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4N=C3NCCC5=CC(=C(C=C5)O)O	WXKWOYVHNCHUOX-UHFFFAOYSA-N
DG66355	"N'-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]propane-1,3-diamine"	24205776	NSC736611; NSC-736611	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736611	.	.	.	.	347.5	C21H25N5	78.8	431	3.9	26	4	4	8	"InChI=1S/C21H25N5/c22-11-5-12-23-13-6-14-24-21-19-15-7-1-3-9-17(15)25-20(19)16-8-2-4-10-18(16)26-21/h1-4,7-10,23,25H,5-6,11-14,22H2,(H,24,26)"	C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4N=C3NCCCNCCCN	ZTGIGQNMIURYRU-UHFFFAOYSA-N
DG66356	"N'-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine"	24205777	NSC736612; NSC-736612	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736612	.	.	.	.	361.5	C22H27N5	70	458	3.8	27	3	4	8	"InChI=1S/C22H27N5/c1-27(14-6-12-23)15-7-13-24-22-20-16-8-2-4-10-18(16)25-21(20)17-9-3-5-11-19(17)26-22/h2-5,8-11,25H,6-7,12-15,23H2,1H3,(H,24,26)"	CN(CCCN)CCCNC1=NC2=CC=CC=C2C3=C1C4=CC=CC=C4N3	KKQPCTDVEDKULV-UHFFFAOYSA-N
DG66357	"N-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-11H-indolo[3,2-c]quinolin-6-amine"	24205778	CHEMBL3233351; SCHEMBL13243587; NSC736613; NSC-736613	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736613	.	.	.	.	416.6	C25H32N6	73.2	550	3.6	31	3	5	8	"InChI=1S/C25H32N6/c26-11-5-13-30-15-17-31(18-16-30)14-6-12-27-25-23-19-7-1-3-9-21(19)28-24(23)20-8-2-4-10-22(20)29-25/h1-4,7-10,28H,5-6,11-18,26H2,(H,27,29)"	C1CN(CCN1CCCN)CCCNC2=NC3=CC=CC=C3C4=C2C5=CC=CC=C5N4	XJCAAZGZKVKEMB-UHFFFAOYSA-N
DG66358	"5-(6-methoxy-napht-2-yl)-6-(3,5-trimethoxyphenyl)-2H-pyran-2-one"	24205789	"NSC736735; NSC-736735; 5-(6-methoxy-napht-2-yl)-6-(3,5-trimethoxyphenyl)-2H-pyran -2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736735	.	.	.	.	418.4	C25H22O6	63.2	686	4.7	31	0	6	6	"InChI=1S/C25H22O6/c1-27-19-8-7-15-11-17(6-5-16(15)12-19)20-9-10-31-25(26)23(20)18-13-21(28-2)24(30-4)22(14-18)29-3/h5-14H,1-4H3"	COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C(=O)OC=C3)C4=CC(=C(C(=C4)OC)OC)OC	CHNLINNFYTYYMX-UHFFFAOYSA-N
DG66359	"16-[3-(2-Morpholin-1-yl ethoxy)benzylidene]-4-androsten-3,17-dione"	24205793	"NSC736753; NSC-736753; 16-[3-(2-morpholin-1-yl ethoxy)benzylidene]-4-androsten-3,17-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736753	.	.	.	.	503.7	C32H41NO4	55.8	964	4.7	37	0	5	5	"InChI=1S/C32H41NO4/c1-31-10-8-25(34)21-24(31)6-7-27-28(31)9-11-32(2)29(27)20-23(30(32)35)18-22-4-3-5-26(19-22)37-17-14-33-12-15-36-16-13-33/h3-5,18-19,21,27-29H,6-17,20H2,1-2H3/b23-18+/t27-,28+,29+,31+,32+/m1/s1"	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\\C5=CC(=CC=C5)OCCN6CCOCC6)/C4=O)C	GKWITWBLAGXYRF-VESJMLDVSA-N
DG66360	16-[3-(2-Morpholin-1-yl ethoxy)benzylidene]-3a-pyrrolidino-5-androsten-17a-ol	24205794	NSC736754; NSC-736754; 16-[3-(2-morpholin-1-yl ethoxy)benzylidene]-3a-pyrrolidino-5-androsten-17a-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736754	.	.	.	.	560.8	C36H52N2O3	45.2	983	5.5	41	1	5	6	"InChI=1S/C36H52N2O3/c1-35-12-10-29(38-14-3-4-15-38)25-28(35)8-9-31-32(35)11-13-36(2)33(31)24-27(34(36)39)22-26-6-5-7-30(23-26)41-21-18-37-16-19-40-20-17-37/h5-8,22-23,29,31-34,39H,3-4,9-21,24-25H2,1-2H3/b27-22+/t29-,31+,32-,33-,34-,35-,36-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\\C5=CC(=CC=C5)OCCN6CCOCC6)/[C@@H]4O)C)N7CCCC7	RITQJTOQIMRAIT-XDFFISRTSA-N
DG66361	"16-[3-(2-Morpholin-1-yl ethoxy)benzylidene]-5-androstene-3b,17b-diol"	24205796	"NSC736756; NSC-736756; 16-[3-(2-morpholin-1-yl ethoxy)benzylidene]-5-androstene-3b,17b-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736756	.	.	.	.	507.7	C32H45NO4	62.2	880	4.3	37	2	5	5	"InChI=1S/C32H45NO4/c1-31-10-8-25(34)21-24(31)6-7-27-28(31)9-11-32(2)29(27)20-23(30(32)35)18-22-4-3-5-26(19-22)37-17-14-33-12-15-36-16-13-33/h3-6,18-19,25,27-30,34-35H,7-17,20-21H2,1-2H3/b23-18+/t25-,27+,28-,29-,30-,31-,32-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\\C5=CC(=CC=C5)OCCN6CCOCC6)/[C@@H]4O)C)O	DEHJSBCAOOHJDC-MELWFMDBSA-N
DG66362	"16-[3-(2-Morpholin-1-yl ethoxy)benzylidene]-5-androstene-3b,17b-diol diacetate"	24205801	"NSC736761; NSC-736761; 16-[3-(2-morpholin-1-yl ethoxy)benzylidene]-5-androstene-3b,17b-diol diacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736761	.	.	.	.	591.8	C36H49NO6	74.3	1100	5.4	43	0	7	9	"InChI=1S/C36H49NO6/c1-24(38)42-30-10-12-35(3)28(23-30)8-9-31-32(35)11-13-36(4)33(31)22-27(34(36)43-25(2)39)20-26-6-5-7-29(21-26)41-19-16-37-14-17-40-18-15-37/h5-8,20-21,30-34H,9-19,22-23H2,1-4H3/b27-20+/t30-,31+,32-,33-,34-,35-,36-/m0/s1"	CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)C/C(=C\\C5=CC(=CC=C5)OCCN6CCOCC6)/[C@@H]4OC(=O)C)C)C	JJZLEINGFDTWEF-DCUZUEFZSA-N
DG66363	"16-[3-{(3-Imidazol-1-yl)propoxy}benzylidene]-3b-pyrrolidino-5-androsten-3b,17b-diol"	24205804	"CHEMBL2282053; BDBM50488173; NSC736764; NSC-736764; 16-[3-{(3-Imidazol-1-yl)propoxy}benzylidene]-3b-pyrrolidino- 5-androsten-3b,17b-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736764	.	.	.	.	502.7	C32H42N2O3	67.5	887	4.7	37	2	4	6	"InChI=1S/C32H42N2O3/c1-31-11-9-25(35)20-24(31)7-8-27-28(31)10-12-32(2)29(27)19-23(30(32)36)17-22-5-3-6-26(18-22)37-16-4-14-34-15-13-33-21-34/h3,5-7,13,15,17-18,21,25,27-30,35-36H,4,8-12,14,16,19-20H2,1-2H3/b23-17+/t25-,27+,28-,29-,30-,31-,32-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C\\C5=CC(=CC=C5)OCCCN6C=CN=C6)/[C@@H]4O)C)O	JHJDBJDQRPDOBI-HXCWGJBXSA-N
DG66364	"(2Z,4-dienethi oamide"	24205810	"(2Z,4-dienethi oamide; NSC736780; NSC-736780"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736780	.	.	.	.	285.4	C16H19N3S	85.1	418	3.3	20	1	3	6	"InChI=1S/C16H19N3S/c1-3-19(4-2)15-10-8-13(9-11-15)6-5-7-14(12-17)16(18)20/h5-11H,3-4H2,1-2H3,(H2,18,20)/b6-5+,14-7-"	CCN(CC)C1=CC=C(C=C1)/C=C/C=C(/C#N)\\C(=S)N	UJMGMXXAIVMBAY-JEZZUBLBSA-N
DG66365	"(3E)-3-[[6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-5-methoxy-1-methylindol-2-one"	24205813	CHEMBL520250; NSC736790; NSC-736790	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736790	.	.	.	.	461.5	C25H23N3O4S	93.5	766	5	33	0	6	5	"InChI=1S/C25H23N3O4S/c1-14-13-28-21(12-18-17-10-15(30-3)6-8-20(17)27(2)24(18)29)23(26-25(28)33-14)19-11-16(31-4)7-9-22(19)32-5/h6-13H,1-5H3/b18-12+"	CC1=CN2C(=C(N=C2S1)C3=C(C=CC(=C3)OC)OC)/C=C/4\\C5=C(C=CC(=C5)OC)N(C4=O)C	KRKGARCBNUBNMN-LDADJPATSA-N
DG66366	"(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one"	24205817	CHEMBL486784; NSC736793; NSC-736793	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736793	.	.	.	.	309.4	C17H15N3OS	65.8	508	3.9	22	0	3	1	"InChI=1S/C17H15N3OS/c1-10-9-20-15(11(2)18-17(20)22-10)8-13-12-6-4-5-7-14(12)19(3)16(13)21/h4-9H,1-3H3/b13-8+"	CC1=CN2C(=C(N=C2S1)C)/C=C/3\\C4=CC=CC=C4N(C3=O)C	MTEYENIQDHFBTE-MDWZMJQESA-N
DG66367	"(3Z)-4-chloro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one"	24205821	NSC736797; AKOS005145085; NSC-736797	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736797	.	.	.	.	345.8	C18H16ClNO4	56.8	483	3.4	24	1	4	4	"InChI=1S/C18H16ClNO4/c1-22-14-8-10(9-15(23-2)17(14)24-3)7-11-16-12(19)5-4-6-13(16)20-18(11)21/h4-9H,1-3H3,(H,20,21)/b11-7-"	COC1=CC(=CC(=C1OC)OC)/C=C\\2/C3=C(C=CC=C3Cl)NC2=O	QFNDMZQPAINLDZ-XFFZJAGNSA-N
DG66368	"(3Z)-5-hydroxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one"	24205822	NSC736802; AKOS005145095; NSC-736802	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736802	.	.	.	.	327.3	C18H17NO5	77	480	2.5	24	2	5	4	"InChI=1S/C18H17NO5/c1-22-15-7-10(8-16(23-2)17(15)24-3)6-13-12-9-11(20)4-5-14(12)19-18(13)21/h4-9,20H,1-3H3,(H,19,21)/b13-6-"	COC1=CC(=CC(=C1OC)OC)/C=C\\2/C3=C(C=CC(=C3)O)NC2=O	JFFWXTOQRVDLAC-MLPAPPSSSA-N
DG66369	"(3Z)-1-phenyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one"	24205823	NSC736804; AKOS005145460; NSC-736804	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736804	.	.	.	.	387.4	C24H21NO4	48	586	4.6	29	0	4	5	"InChI=1S/C24H21NO4/c1-27-21-14-16(15-22(28-2)23(21)29-3)13-19-18-11-7-8-12-20(18)25(24(19)26)17-9-5-4-6-10-17/h4-15H,1-3H3/b19-13-"	COC1=CC(=CC(=C1OC)OC)/C=C\\2/C3=CC=CC=C3N(C2=O)C4=CC=CC=C4	OFHRWFXRXGUJHM-UYRXBGFRSA-N
DG66370	"(3Z)-5-chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one"	24205825	NSC736807; NSC-736807	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736807	.	.	.	.	330.8	C15H11ClN4OS	87.5	516	3.3	22	1	4	1	"InChI=1S/C15H11ClN4OS/c1-7-13(20-15(17-7)22-8(2)19-20)6-11-10-5-9(16)3-4-12(10)18-14(11)21/h3-6H,1-2H3,(H,18,21)/b11-6-"	CC1=C(N2C(=N1)SC(=N2)C)/C=C\\3/C4=C(C=CC(=C4)Cl)NC3=O	KCYKAXWZSSFVCG-WDZFZDKYSA-N
DG66371	"(3Z)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one"	24205826	NSC736808; NSC-736808	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736808	.	.	.	.	326.4	C16H14N4O2S	96.8	528	2.6	23	1	5	2	"InChI=1S/C16H14N4O2S/c1-8-14(20-16(17-8)23-9(2)19-20)7-12-11-6-10(22-3)4-5-13(11)18-15(12)21/h4-7H,1-3H3,(H,18,21)/b12-7-"	CC1=C(N2C(=N1)SC(=N2)C)/C=C\\3/C4=C(C=CC(=C4)OC)NC3=O	VSBUDAPYBIPUJQ-GHXNOFRVSA-N
DG66372	"(3Z)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one"	24205829	NSC736811; NSC-736811	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736811	.	.	.	.	296.3	C15H12N4OS	87.5	482	2.7	21	1	4	1	"InChI=1S/C15H12N4OS/c1-8-13(19-15(16-8)21-9(2)18-19)7-11-10-5-3-4-6-12(10)17-14(11)20/h3-7H,1-2H3,(H,17,20)/b11-7-"	CC1=C(N2C(=N1)SC(=N2)C)/C=C\\3/C4=CC=CC=C4NC3=O	PNHQBFVRTUYIFT-XFFZJAGNSA-N
DG66373	"(3Z)-5-methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one"	24205833	NSC736815; NSC-736815	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736815	.	.	.	.	401.5	C23H19N3O2S	83.9	663	5.3	29	1	4	3	"InChI=1S/C23H19N3O2S/c1-13-4-6-15(7-5-13)21-20(26-12-14(2)29-23(26)25-21)11-18-17-10-16(28-3)8-9-19(17)24-22(18)27/h4-12H,1-3H3,(H,24,27)/b18-11-"	CC1=CC=C(C=C1)C2=C(N3C=C(SC3=N2)C)/C=C\\4/C5=C(C=CC(=C5)OC)NC4=O	ZQIPXXOEAXPMOU-WQRHYEAKSA-N
DG66374	"(3Z)-5-chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one"	24205835	NSC736817; NSC-736817	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736817	.	.	.	.	343.8	C17H14ClN3OS	65.8	542	4.5	23	0	3	1	"InChI=1S/C17H14ClN3OS/c1-9-8-21-15(10(2)19-17(21)23-9)7-13-12-6-11(18)4-5-14(12)20(3)16(13)22/h4-8H,1-3H3/b13-7-"	CC1=CN2C(=C(N=C2S1)C)/C=C\\3/C4=C(C=CC(=C4)Cl)N(C3=O)C	HRWWQTGGSBWADB-QPEQYQDCSA-N
DG66375	"(3Z)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1-methylindol-2-one"	24205836	NSC736818; NSC-736818	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736818	.	.	.	.	325.4	C17H15N3O2S	86.1	540	3.5	23	1	4	1	"InChI=1S/C17H15N3O2S/c1-9-8-20-15(10(2)18-17(20)23-9)7-13-12-6-11(21)4-5-14(12)19(3)16(13)22/h4-8,21H,1-3H3/b13-7-"	CC1=CN2C(=C(N=C2S1)C)/C=C\\3/C4=C(C=CC(=C4)O)N(C3=O)C	HDKSLTJASNZBSB-QPEQYQDCSA-N
DG66376	"ethyl 7-methyl-8-(2-methylpropyl)-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate"	24205837	NSC736912; NSC-736912	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736912	.	.	.	.	329.35	C17H19N3O4	94	550	1.8	24	1	5	5	"InChI=1S/C17H19N3O4/c1-5-24-17(23)10-9(4)20(6-8(2)3)14-11(10)15(21)16(22)13-12(14)18-7-19-13/h7-8H,5-6H2,1-4H3,(H,18,19)"	CCOC(=O)C1=C(N(C2=C1C(=O)C(=O)C3=C2N=CN3)CC(C)C)C	IBBPIUWPHWPFDW-UHFFFAOYSA-N
DG66377	"ethyl 8-benzyl-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate"	24205838	NSC736913; NSC-736913	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736913	.	.	.	.	363.4	C20H17N3O4	94	618	2.1	27	1	5	5	"InChI=1S/C20H17N3O4/c1-3-27-20(26)13-11(2)23(9-12-7-5-4-6-8-12)17-14(13)18(24)19(25)16-15(17)21-10-22-16/h4-8,10H,3,9H2,1-2H3,(H,21,22)"	CCOC(=O)C1=C(N(C2=C1C(=O)C(=O)C3=C2N=CN3)CC4=CC=CC=C4)C	QKHWCZLTFLEUJH-UHFFFAOYSA-N
DG66378	"ethyl 8-[(2,4-dichlorophenyl)methyl]-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate"	24205839	NSC736914; NSC-736914	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736914	.	.	.	.	432.3	C20H15Cl2N3O4	94	693	3.4	29	1	5	5	"InChI=1S/C20H15Cl2N3O4/c1-3-29-20(28)13-9(2)25(7-10-4-5-11(21)6-12(10)22)17-14(13)18(26)19(27)16-15(17)23-8-24-16/h4-6,8H,3,7H2,1-2H3,(H,23,24)"	CCOC(=O)C1=C(N(C2=C1C(=O)C(=O)C3=C2N=CN3)CC4=C(C=C(C=C4)Cl)Cl)C	MTQFAKHLRPTCBD-UHFFFAOYSA-N
DG66379	NSC736915	24205840	"Ethyl 3-[(2,4-dichlorophenyl)methyl]-4-methyl-10,11-dioxo-9-oxa-3,12,14-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1,4,6,8(15),13-pentaene-5-carboxylate; NSC736915; NSC-736915"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736915	.	.	.	.	472.3	C22H15Cl2N3O5	92.4	800	4.8	32	0	6	5	"InChI=1S/C22H15Cl2N3O5/c1-3-31-21(29)16-10(2)26(8-11-4-5-12(23)6-14(11)24)18-13(16)7-15-19-17(18)25-9-27(19)20(28)22(30)32-15/h4-7,9H,3,8H2,1-2H3"	CCOC(=O)C1=C(N(C2=C3C4=C(C=C12)OC(=O)C(=O)N4C=N3)CC5=C(C=C(C=C5)Cl)Cl)C	FCTOYDJDKNVGNM-UHFFFAOYSA-N
DG66380	NSC736916	24205841	"ethyl 8-[(2,4-dichlorophenyl)methyl]-5-[(dimethylamino)methyl]-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate;hydrochloride; NSC736916; NSC-736916"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736916	.	.	.	.	511.8	C23H25Cl3N4O3	83.4	671	.	33	3	5	7	"InChI=1S/C23H24Cl2N4O3.ClH/c1-5-32-23(31)17-12(2)29(9-13-6-7-14(24)8-16(13)25)21-18(17)15(10-28(3)4)22(30)20-19(21)26-11-27-20;/h6-8,11,30H,5,9-10H2,1-4H3,(H,26,27);1H"	CCOC(=O)C1=C(N(C2=C3C(=C(C(=C12)CN(C)C)O)NC=N3)CC4=C(C=C(C=C4)Cl)Cl)C.Cl	SHBJLMOUNLFPAI-UHFFFAOYSA-N
DG66381	"(5-Hydroxy-9,10a-diaza-pentaleno[1,2-a]napht halen-7-yl)-phenyl-methanon"	24205844	"NSC736918; NSC-736918; (5-Hydroxy-9,10a-diaza-pentaleno[1,2-a]napht halen-7-yl)-phenyl-methanon"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736918	.	.	.	.	328.4	C21H16N2O2	54.3	518	4.3	25	2	3	2	"InChI=1S/C21H16N2O2/c24-17-12-16-18(20(25)13-6-2-1-3-7-13)21-22-10-11-23(21)19(16)15-9-5-4-8-14(15)17/h1-9,12,22,24H,10-11H2"	C1CN2C3=C(C=C(C4=CC=CC=C43)O)C(=C2N1)C(=O)C5=CC=CC=C5	NZKYVWWXTZJWIO-UHFFFAOYSA-N
DG66382	"5,7a-Dicyano-4,7-dihydroxy-i ndol-3-cabonacidethylester"	24205845	"NSC736919; NSC-736919; 5,7a-dicyano-4,7-dihydroxy-i ndol-3-cabonacidethylester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736919	.	.	.	.	466.7	C20H14Cl3N3O4	118	993	4.2	30	2	7	4	"InChI=1S/C20H14Cl3N3O4/c1-3-30-18(29)13-10(2)26(12-6-4-11(21)5-7-12)20(9-25)17(28)15(23)14(22)16(27)19(13,20)8-24/h4-7,27-28H,3H2,1-2H3/t19-,20+/m0/s1"	CCOC(=O)C1=C(N([C@]2([C@@]1(C(=C(C(=C2O)Cl)Cl)O)C#N)C#N)C3=CC=C(C=C3)Cl)C	WFHWZRBFDPYQNQ-VQTJNVASSA-N
DG66383	"ethyl (3aR,7aR)-5,6-dichloro-3a,7a-dicyano-1-[(2,4-dichlorophenyl)methyl]-4,7-dihydroxy-2-methylindole-3-carboxylate"	24205846	NSC736920; NSC-736920	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736920	.	.	.	.	515.2	C21H15Cl4N3O4	118	1050	4.8	32	2	7	5	"InChI=1S/C21H15Cl4N3O4/c1-3-32-19(31)14-10(2)28(7-11-4-5-12(22)6-13(11)23)21(9-27)18(30)16(25)15(24)17(29)20(14,21)8-26/h4-6,29-30H,3,7H2,1-2H3/t20-,21+/m0/s1"	CCOC(=O)C1=C(N([C@]2([C@@]1(C(=C(C(=C2O)Cl)Cl)O)C#N)C#N)CC3=C(C=C(C=C3)Cl)Cl)C	INXDXFZDTNVTKO-LEWJYISDSA-N
DG66384	"5,7a-Dicyano-4,7-dihydroxy-indol-3-carbonacidethylester"	24205847	"NSC736921; NSC-736921; 5,7a-dicyano-4,7-dihydroxy- indol-3-carbonacidethylester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736921	.	.	.	.	524.3	C26H19Cl2N3O5	127	1130	4.8	36	2	8	6	"InChI=1S/C26H19Cl2N3O5/c1-3-36-24(34)18-21(15-7-5-4-6-8-15)31(16-9-11-17(35-2)12-10-16)26(14-30)23(33)20(28)19(27)22(32)25(18,26)13-29/h4-12,32-33H,3H2,1-2H3/t25-,26+/m0/s1"	CCOC(=O)C1=C(N([C@]2([C@@]1(C(=C(C(=C2O)Cl)Cl)O)C#N)C#N)C3=CC=C(C=C3)OC)C4=CC=CC=C4	UIOROZPWBOJTSS-IZZNHLLZSA-N
DG66385	"5,4-Difluorphenyl)-3a,7a-dicyano-4,7-dihydrox y-indol-3-carbonacidethylester"	24205848	"NSC736922; NSC-736922; 5,4-difluorphenyl)-3a,7a-dicyano-4,7-dihydrox y-indol-3-carbonacidethylester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736922	.	.	.	.	468.2	C20H13Cl2F2N3O4	118	1040	3.8	31	2	9	4	"InChI=1S/C20H13Cl2F2N3O4/c1-3-31-18(30)13-9(2)27(12-5-4-10(23)6-11(12)24)20(8-26)17(29)15(22)14(21)16(28)19(13,20)7-25/h4-6,28-29H,3H2,1-2H3/t19-,20+/m0/s1"	CCOC(=O)C1=C(N([C@]2([C@@]1(C(=C(C(=C2O)Cl)Cl)O)C#N)C#N)C3=C(C=C(C=C3)F)F)C	RRVFNMVBXPKDAL-VQTJNVASSA-N
DG66386	"5-(naphthalen-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole"	24205849	"NSC-736992; CHEMBL221473; DTXSID90639843; NSC736992; 915954-53-9; 1-(3,4,5-Trimethoxyphenyl)-5-(2-naphthyl)-1H-imidazole; 5-(naphthalen-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole; 5-(naphthalen-2-yl)-1-(3,5-trimethoxyphenyl)-1H-imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736992	.	.	.	.	360.4	C22H20N2O3	45.5	463	4.5	27	0	4	5	"InChI=1S/C22H20N2O3/c1-25-20-11-18(12-21(26-2)22(20)27-3)24-14-23-13-19(24)17-9-8-15-6-4-5-7-16(15)10-17/h4-14H,1-3H3"	COC1=CC(=CC(=C1OC)OC)N2C=NC=C2C3=CC4=CC=CC=C4C=C3	VQIFHAGEERVOKJ-UHFFFAOYSA-N
DG66387	"1-[(7E)-3-(3,4-dimethoxyphenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone"	24205852	NSC737018; NSC-737018	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737018	.	.	.	.	464.6	C27H32N2O5	69.6	783	4.2	34	0	6	6	"InChI=1S/C27H32N2O5/c1-16-11-20(13-18-7-9-22(31-3)24(14-18)33-5)26-21(12-16)27(29(28-26)17(2)30)19-8-10-23(32-4)25(15-19)34-6/h7-10,13-16,21,27H,11-12H2,1-6H3/b20-13+"	CC1CC2C(N(N=C2/C(=C/C3=CC(=C(C=C3)OC)OC)/C1)C(=O)C)C4=CC(=C(C=C4)OC)OC	IYAWTKUKPKSZKS-DEDYPNTBSA-N
DG66388	"(7E)-3-(3,4-dimethoxyphenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole"	24205857	NSC737023; NSC-737023	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737023	.	.	.	.	498.6	C31H34N2O4	52.5	809	6.6	37	0	6	7	"InChI=1S/C31H34N2O4/c1-20-15-23(17-21-11-13-26(34-2)28(18-21)36-4)30-25(16-20)31(33(32-30)24-9-7-6-8-10-24)22-12-14-27(35-3)29(19-22)37-5/h6-14,17-20,25,31H,15-16H2,1-5H3/b23-17+"	CC1CC2C(N(N=C2/C(=C/C3=CC(=C(C=C3)OC)OC)/C1)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC	PDYDEQMVTASUAN-HAVVHWLPSA-N
DG66389	palmitoyl-DL-Pro-Gly-DL-Phe-DL-Pro-DL-Ser-DL-Tyr-DL-Lys-DL-Leu-DL-Arg-DL-Pro-Gly-NH2	24205858	NSC737024; NSC-737024	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737024	.	.	.	.	1455.8	C74H118N16O14	468	2760	5.5	104	14	16	48	"InChI=1S/C74H118N16O14/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-33-64(95)88-40-23-30-59(88)69(100)81-47-63(94)82-57(45-50-26-17-16-18-27-50)73(104)90-42-25-32-61(90)71(102)87-58(48-91)68(99)86-56(44-51-34-36-52(92)37-35-51)67(98)83-53(28-20-21-38-75)65(96)85-55(43-49(2)3)66(97)84-54(29-22-39-79-74(77)78)72(103)89-41-24-31-60(89)70(101)80-46-62(76)93/h16-18,26-27,34-37,49,53-61,91-92H,4-15,19-25,28-33,38-48,75H2,1-3H3,(H2,76,93)(H,80,101)(H,81,100)(H,82,94)(H,83,98)(H,84,97)(H,85,96)(H,86,99)(H,87,102)(H4,77,78,79)"	CCCCCCCCCCCCCCCC(=O)N1CCCC1C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N5CCCC5C(=O)NCC(=O)N	QREASIAFPQXMBI-UHFFFAOYSA-N
DG66390	[(Palm-Pro-Gly)1 D-Phe2 Ala3 D-Lys6]-LH-RH	24205861	NSC737027; NSC-737027; [(Palm-Pro-Gly)1 D-Phe2 Ala3 D-Lys6]-LH-RH	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737027	.	.	.	.	1429.8	C72H116N16O14	477	2670	5.1	102	15	16	49	"InChI=1S/C72H116N16O14/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-32-62(93)87-39-24-30-58(87)69(100)79-45-61(92)81-55(42-49-26-18-17-19-27-49)65(96)80-48(4)63(94)86-57(46-89)68(99)85-56(43-50-33-35-51(90)36-34-50)67(98)82-52(28-21-22-37-73)64(95)84-54(41-47(2)3)66(97)83-53(29-23-38-77-72(75)76)71(102)88-40-25-31-59(88)70(101)78-44-60(74)91/h17-19,26-27,33-36,47-48,52-59,89-90H,5-16,20-25,28-32,37-46,73H2,1-4H3,(H2,74,91)(H,78,101)(H,79,100)(H,80,96)(H,81,92)(H,82,98)(H,83,97)(H,84,95)(H,85,99)(H,86,94)(H4,75,76,77)"	CCCCCCCCCCCCCCCC(=O)N1CCCC1C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N4CCCC4C(=O)NCC(=O)N	FSDTVYGKLANONT-UHFFFAOYSA-N
DG66391	[(Palm-D-Lys(Pro-Lys-Lys-Lys-Arg-Lys-Val)Pro-Gly)1D-Phe2 Pro3 D-Lys6]-LH-RH	24205862	NSC737028; NSC-737028; [(Palm-D-Lys(Pro-Lys-Lys-Lys-Arg-Lys-Val)Pro-Gly)1D-Phe2 Pro3 D-Lys6]-LH-RH	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737028	.	.	.	.	2449.1	C120H206N32O22	881	5000	2.8	174	30	31	91	"InChI=1S/C120H206N32O22/c1-6-7-8-9-10-11-12-13-14-15-16-20-53-100(157)137-82(41-26-32-63-132-112(168)95-50-36-67-150(95)116(172)88(46-25-31-62-125)144-106(162)84(43-22-28-59-122)140-103(159)83(42-21-27-58-121)139-105(161)87(47-33-64-133-119(128)129)141-104(160)86(45-24-30-61-124)143-115(171)102(127)78(4)5)98(155)75-149-66-35-49-94(149)111(167)136-74-101(158)138-92(72-79-39-18-17-19-40-79)118(174)152-69-38-52-97(152)114(170)148-93(76-153)110(166)147-91(71-80-54-56-81(154)57-55-80)109(165)142-85(44-23-29-60-123)107(163)146-90(70-77(2)3)108(164)145-89(48-34-65-134-120(130)131)117(173)151-68-37-51-96(151)113(169)135-73-99(126)156/h17-19,39-40,54-57,77-78,82-97,102,153-154H,6-16,20-38,41-53,58-76,121-125,127H2,1-5H3,(H2,126,156)(H,132,168)(H,135,169)(H,136,167)(H,137,157)(H,138,158)(H,139,161)(H,140,159)(H,141,160)(H,142,165)(H,143,171)(H,144,162)(H,145,164)(H,146,163)(H,147,166)(H,148,170)(H4,128,129,133)(H4,130,131,134)"	CCCCCCCCCCCCCCC(=O)NC(CCCCNC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(C(C)C)N)C(=O)CN2CCCC2C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)NC(CO)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N6CCCC6C(=O)NCC(=O)N	NYHACKDXDUZEHY-UHFFFAOYSA-N
DG66392	[(Palm-Pro-Gly)1 D-Phe2 Pro3 D-Lys(H-Pro-Lys-Lys-Lys-Arg-Lys-Val) 6]-LH-RH	24205863	NSC737029; NSC-737029; [(Palm-Pro-Gly)1 D-Phe2 Pro3 D-Lys(H-Pro-Lys-Lys-Lys-Arg-Lys-Val) 6]-LH-RH	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737029	.	.	.	.	2320.9	C114H194N30O21	826	4720	3.8	165	28	28	84	"InChI=1S/C114H194N30O21/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-52-94(149)141-64-35-48-88(141)106(159)129-71-93(148)140-96(76-39-20-19-21-40-76)112(165)144-67-38-51-91(144)108(161)139-87(72-145)104(157)138-86(69-75-53-55-77(146)56-54-75)103(156)133-80(101(154)137-85(68-73(2)3)102(155)136-84(47-34-63-127-114(123)124)111(164)143-66-37-50-90(143)107(160)128-70-92(119)147)44-27-32-61-125-105(158)89-49-36-65-142(89)110(163)83(45-26-31-60-118)135-100(153)79(42-24-29-58-116)131-97(150)78(41-23-28-57-115)130-99(152)82(46-33-62-126-113(121)122)132-98(151)81(43-25-30-59-117)134-109(162)95(120)74(4)5/h19-21,39-40,53-56,73-74,78-91,95-96,145-146H,6-18,22-38,41-52,57-72,115-118,120H2,1-5H3,(H2,119,147)(H,125,158)(H,128,160)(H,129,159)(H,130,152)(H,131,150)(H,132,151)(H,133,156)(H,134,162)(H,135,153)(H,136,155)(H,137,154)(H,138,157)(H,139,161)(H,140,148)(H4,121,122,126)(H4,123,124,127)"	CCCCCCCCCCCCCCCCC(=O)N1CCCC1C(=O)NCC(=O)NC(C2=CC=CC=C2)C(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(CCCCNC(=O)C5CCCN5C(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(C(C)C)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N6CCCC6C(=O)NCC(=O)N	DMWOWVCBABDXOT-UHFFFAOYSA-N
DG66393	N'-cyclohexylidene-5-fluoro-3-phenyl-1H-indole-2-carbohydraz ide	24205864	NSC737030; NSC-737030; N'-cyclohexylidene-5-fluoro-3-phenyl-1H-indole-2-carbohydraz ide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737030	.	.	.	.	349.4	C21H20FN3O	57.2	523	4.6	26	2	3	3	"InChI=1S/C21H20FN3O/c22-15-11-12-18-17(13-15)19(14-7-3-1-4-8-14)20(23-18)21(26)25-24-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,23H,2,5-6,9-10H2,(H,25,26)"	C1CCC(=NNC(=O)C2=C(C3=C(N2)C=CC(=C3)F)C4=CC=CC=C4)CC1	GDXZUXVEDUAWJR-UHFFFAOYSA-N
DG66394	"N-(1,6-dihydro-4H-cyclopenta[c]thien-4-yl)-4-(1H-indol-3-yl)-butanamide"	24205884	"NSC737073; NSC-737073; N-(1,6-dihydro-4H-cyclopenta[c]thien-4-yl) -4-(1H-indol-3-yl)-butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737073	.	.	.	.	496.2	C19H16Br2N2O2S	90.2	564	4.7	26	2	3	5	"InChI=1S/C19H16Br2N2O2S/c20-18-16-13(8-14(24)17(16)19(21)26-18)23-15(25)7-3-4-10-9-22-12-6-2-1-5-11(10)12/h1-2,5-6,9,13,22H,3-4,7-8H2,(H,23,25)"	C1C(C2=C(SC(=C2C1=O)Br)Br)NC(=O)CCCC3=CNC4=CC=CC=C43	LUPIQGLOJCOYND-UHFFFAOYSA-N
DG66395	NSC737081	24205888	"2-[[(4S,6S,6aR,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-6-methyloxane-3,4,5-triol; NSC737081; NSC-737081"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737081	.	.	.	.	446.6	C26H38O6	99.4	692	4.6	32	4	6	3	"InChI=1S/C26H38O6/c1-11(2)9-16-10-13(4)17-8-7-12(3)18-20(17)19(16)14(5)25(22(18)28)32-26-24(30)23(29)21(27)15(6)31-26/h9,12-13,15-17,21,23-24,26-30H,7-8,10H2,1-6H3/t12-,13-,15 ,16+,17+,21 ,23 ,24 ,26 /m0/s1"	C[C@H]1CC[C@@H]2[C@H](C[C@H](C3=C(C(=C(C1=C23)O)OC4C(C(C(C(O4)C)O)O)O)C)C=C(C)C)C	LIAAPIYLHKRUNZ-XOSITHTRSA-N
DG66396	"(E)-1-[4-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-chlorophenyl)prop-2-en-1-one"	24205903	NSC737222; NSC-737222	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737222	.	.	.	.	555	C30H21ClF2N6O	91.8	774	8.2	40	3	9	9	"InChI=1S/C30H21ClF2N6O/c31-21-6-1-19(2-7-21)3-18-27(40)20-4-12-24(13-5-20)34-28-37-29(35-25-14-8-22(32)9-15-25)39-30(38-28)36-26-16-10-23(33)11-17-26/h1-18H,(H3,34,35,36,37,38,39)/b18-3+"	C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F)Cl	JPLIGKVFUJUHFF-JFQJCAQQSA-N
DG66397	"(E)-1-[4-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one"	24205905	NSC737224; NSC-737224	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737224	.	.	.	.	550.6	C31H24F2N6O2	101	787	7.5	41	3	10	10	"InChI=1S/C31H24F2N6O2/c1-41-27-17-2-20(3-18-27)4-19-28(40)21-5-11-24(12-6-21)34-29-37-30(35-25-13-7-22(32)8-14-25)39-31(38-29)36-26-15-9-23(33)10-16-26/h2-19H,1H3,(H3,34,35,36,37,38,39)/b19-4+"	COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F	PPPUHSFDOMOMIT-RMOCHZDMSA-N
DG66398	"(E)-1-[4-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one"	24205906	NSC737225; NSC-737225	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737225	.	.	.	.	550.6	C31H24F2N6O2	101	795	7.5	41	3	10	10	"InChI=1S/C31H24F2N6O2/c1-41-28-5-3-2-4-21(28)8-19-27(40)20-6-13-24(14-7-20)34-29-37-30(35-25-15-9-22(32)10-16-25)39-31(38-29)36-26-17-11-23(33)12-18-26/h2-19H,1H3,(H3,34,35,36,37,38,39)/b19-8+"	COC1=CC=CC=C1/C=C/C(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F	AJLRONSNHPYIBF-UFWORHAWSA-N
DG66399	"(E)-1-[4-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one"	24205907	NSC737226; NSC-737226	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737226	.	.	.	.	510.5	C28H20F2N6O2	105	734	6.7	38	3	10	9	"InChI=1S/C28H20F2N6O2/c29-19-5-11-22(12-6-19)32-27-34-26(35-28(36-27)33-23-13-7-20(30)8-14-23)31-21-9-3-18(4-10-21)25(37)16-15-24-2-1-17-38-24/h1-17H,(H3,31,32,33,34,35,36)/b16-15+"	C1=COC(=C1)/C=C/C(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F	CNLZMDBMHWVACB-FOCLMDBBSA-N
DG66400	"(E)-1-[4-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-thiophen-2-ylprop-2-en-1-one"	24205908	NSC737227; NSC-737227	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737227	.	.	.	.	526.6	C28H20F2N6OS	120	736	7.3	38	3	10	9	"InChI=1S/C28H20F2N6OS/c29-19-5-11-22(12-6-19)32-27-34-26(35-28(36-27)33-23-13-7-20(30)8-14-23)31-21-9-3-18(4-10-21)25(37)16-15-24-2-1-17-38-24/h1-17H,(H3,31,32,33,34,35,36)/b16-15+"	C1=CSC(=C1)/C=C/C(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F	SVPBWZCDXROTPM-FOCLMDBBSA-N
DG66401	"(E)-1-[4-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	24205912	NSC737231; NSC-737231	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737231	.	.	.	.	610.6	C33H28F2N6O4	120	881	7.5	45	3	12	12	"InChI=1S/C33H28F2N6O4/c1-43-28-18-20(19-29(44-2)30(28)45-3)4-17-27(42)21-5-11-24(12-6-21)36-31-39-32(37-25-13-7-22(34)8-14-25)41-33(40-31)38-26-15-9-23(35)10-16-26/h4-19H,1-3H3,(H3,36,37,38,39,40,41)/b17-4+"	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F	IKFBUWZZHKQZNK-HAVNEIBRSA-N
DG66402	"1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]ethanone"	24205913	NSC737232; NSC-737232	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737232	.	.	.	.	432.4	C23H18F2N6O	91.8	557	5.5	32	3	9	7	"InChI=1S/C23H18F2N6O/c1-14(32)15-2-8-18(9-3-15)26-21-29-22(27-19-10-4-16(24)5-11-19)31-23(30-21)28-20-12-6-17(25)7-13-20/h2-13H,1H3,(H3,26,27,28,29,30,31)"	CC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)NC4=CC=C(C=C4)F	PAOYYANTBCCAHG-UHFFFAOYSA-N
DG66403	N-(2-iodylphenyl)-N-methylpivalamide	24205923	NSC737260; N-(2-iodylphenyl)-N-methylpivalamide; N-Methyl-N-(2-iodylphenyl)pivalamide; NSC-737260	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737260	.	.	.	.	349.16	C12H16INO3	54.4	344	2.2	17	0	3	2	"InChI=1S/C12H16INO3/c1-12(2,3)11(15)14(4)10-8-6-5-7-9(10)13(16)17/h5-8H,1-4H3"	CC(C)(C)C(=O)N(C)C1=CC=CC=C1I(=O)=O	BQNOALGNYUOPBP-UHFFFAOYSA-N
DG66404	N-benzyl-N-(2-iodylphenyl)acetamide	24205925	N-benzyl-N-(2-iodylphenyl)acetamide; NSC737262; NSC-737262	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737262	.	.	.	.	383.18	C15H14INO3	54.4	388	2.3	20	0	3	3	"InChI=1S/C15H14INO3/c1-12(18)17(11-13-7-3-2-4-8-13)15-10-6-5-9-14(15)16(19)20/h2-10H,11H2,1H3"	CC(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2I(=O)=O	YNUZDUVGRGRKKA-UHFFFAOYSA-N
DG66405	"(9-Hydroxy-10-oxo-10H-indeno[1,2-b]indol-5-yl)-acetic acid"	24205927	"NSC737303; NSC-737303; (9-Hydroxy-10-oxo-10H-indeno[1,2-b]indol-5-yl)-acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737303	.	.	.	.	293.27	C17H11NO4	79.5	493	2.5	22	2	4	2	"InChI=1S/C17H11NO4/c19-12-7-3-6-11-14(12)15-16(18(11)8-13(20)21)9-4-1-2-5-10(9)17(15)22/h1-7,19H,8H2,(H,20,21)"	C1=CC=C2C(=C1)C3=C(C2=O)C4=C(N3CC(=O)O)C=CC=C4O	UIWUTXGOPXEJDI-UHFFFAOYSA-N
DG66406	"(7E)-5-methyl-2-phenyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazole"	24205932	NSC737352; NSC-737352	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737352	.	.	.	.	558.7	C33H38N2O6	71	878	6.5	41	0	8	9	"InChI=1S/C33H38N2O6/c1-20-13-22(15-21-16-26(36-2)32(40-6)27(17-21)37-3)30-25(14-20)31(35(34-30)24-11-9-8-10-12-24)23-18-28(38-4)33(41-7)29(19-23)39-5/h8-12,15-20,25,31H,13-14H2,1-7H3/b22-15+"	CC1CC2C(N(N=C2/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/C1)C4=CC=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC	OORKEQDKCJRCLO-PXLXIMEGSA-N
DG66407	NSC737369	24205941	"7-[3-[3-[3,4-Dihydroxy-6-methyl-5-(3-methylbutanoyloxy)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-3-hydroxyhexadecanoic acid; SC-25; NSC737369; NSC-737369"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737369	.	.	.	.	989.1	C45H80O23	360	1460	0	68	12	23	28	"InChI=1S/C45H80O23/c1-6-7-8-9-10-11-12-15-25(16-13-14-24(47)18-28(48)49)63-44-40(35(56)32(53)27(65-44)20-60-42-37(58)33(54)30(51)22(4)61-42)68-45-41(34(55)31(52)26(19-46)64-45)67-43-38(59)36(57)39(23(5)62-43)66-29(50)17-21(2)3/h21-27,30-47,51-59H,6-20H2,1-5H3,(H,48,49)"	CCCCCCCCCC(CCCC(CC(=O)O)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)C)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)C)OC(=O)CC(C)C)O)O	NGBYHQPDYZVFJL-UHFFFAOYSA-N
DG66408	"6-amino-1,6-dihydro-4H-cyclopenta[c]thiophe n-4-one hydrochloride"	24205943	"NSC737375; NSC-737375; 6-amino-1,6-dihydro-4H-cyclopenta[c]thiophe n-4-one hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737375	.	.	.	.	353.9	C15H12ClNOS3	128	405	.	21	2	5	2	"InChI=1S/C15H11NOS3.ClH/c16-8-7-9(17)13-12(8)14(10-3-1-5-18-10)20-15(13)11-4-2-6-19-11;/h1-6,8H,7,16H2;1H"	C1C(C2=C(SC(=C2C1=O)C3=CC=CS3)C4=CC=CS4)N.Cl	NVJXXACQLRHUQC-UHFFFAOYSA-N
DG66409	2-(1-Adamantyl)-5-[(6-aminopurin-9-yl)methyl]phenol	24205952	NSC737427; NSC-737427	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737427	.	.	.	.	375.5	C22H25N5O	89.8	558	4.7	28	2	5	3	"InChI=1S/C22H25N5O/c23-20-19-21(25-11-24-20)27(12-26-19)10-13-1-2-17(18(28)6-13)22-7-14-3-15(8-22)5-16(4-14)9-22/h1-2,6,11-12,14-16,28H,3-5,7-10H2,(H2,23,24,25)"	C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=NC6=C(N=CN=C65)N)O	BELHNPQWAVSJSM-UHFFFAOYSA-N
DG66410	"2-(1-Adamantyl)-5-[(2,6-dichloropurin-9-yl)methyl]phenol"	24205953	NSC737428; NSC-737428	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737428	.	.	.	.	429.3	C22H22Cl2N4O	63.8	595	6.6	29	1	4	3	"InChI=1S/C22H22Cl2N4O/c23-19-18-20(27-21(24)26-19)28(11-25-18)10-12-1-2-16(17(29)6-12)22-7-13-3-14(8-22)5-15(4-13)9-22/h1-2,6,11,13-15,29H,3-5,7-10H2"	C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=NC6=C5N=C(N=C6Cl)Cl)O	FNEOPRKANJXZTD-UHFFFAOYSA-N
DG66411	2-(1-Adamantyl)-5-[(2-amino-6-chloropurin-9-yl)methyl]phenol	24205954	NSC737429; NSC-737429	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737429	.	.	.	.	409.9	C22H24ClN5O	89.8	593	5.3	29	2	5	3	"InChI=1S/C22H24ClN5O/c23-19-18-20(27-21(24)26-19)28(11-25-18)10-12-1-2-16(17(29)6-12)22-7-13-3-14(8-22)5-15(4-13)9-22/h1-2,6,11,13-15,29H,3-5,7-10H2,(H2,24,26,27)"	C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=NC6=C5N=C(N=C6Cl)N)O	AQEZBOZQPHPBCY-UHFFFAOYSA-N
DG66412	"9-[[4-(1-Adamantyl)-3-[(2,4,5-trifluorophenyl)methoxy]phenyl]methyl]purin-6-amine"	24205955	NSC737430; NSC-737430	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737430	.	.	.	.	519.6	C29H28F3N5O	78.8	810	6.5	38	1	8	6	"InChI=1S/C29H28F3N5O/c30-22-8-24(32)23(31)7-20(22)13-38-25-6-16(12-37-15-36-26-27(33)34-14-35-28(26)37)1-2-21(25)29-9-17-3-18(10-29)5-19(4-17)11-29/h1-2,6-8,14-15,17-19H,3-5,9-13H2,(H2,33,34,35)"	C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=NC6=C(N=CN=C65)N)OCC7=CC(=C(C=C7F)F)F	CBUZKZFTQWSBHQ-UHFFFAOYSA-N
DG66413	"9-[[4-(1-Adamantyl)-3-[(2,4,5-trifluorophenyl)methoxy]phenyl]methyl]-2,6-dichloropurine"	24205956	NSC737431; NSC-737431	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737431	.	.	.	.	573.4	C29H25Cl2F3N4O	52.8	848	8.7	39	0	7	6	"InChI=1S/C29H25Cl2F3N4O/c30-26-25-27(37-28(31)36-26)38(14-35-25)12-15-1-2-20(29-9-16-3-17(10-29)5-18(4-16)11-29)24(6-15)39-13-19-7-22(33)23(34)8-21(19)32/h1-2,6-8,14,16-18H,3-5,9-13H2"	C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=NC6=C5N=C(N=C6Cl)Cl)OCC7=CC(=C(C=C7F)F)F	KBZYXJUOZPHNEG-UHFFFAOYSA-N
DG66414	"9-[[4-(1-Adamantyl)-3-[(2,4,5-trifluorophenyl)methoxy]phenyl]methyl]-6-chloropurin-2-amine"	24205957	NSC737432; NSC-737432	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737432	.	.	.	.	554	C29H27ClF3N5O	78.8	847	7.4	39	1	8	6	"InChI=1S/C29H27ClF3N5O/c30-26-25-27(37-28(34)36-26)38(14-35-25)12-15-1-2-20(29-9-16-3-17(10-29)5-18(4-16)11-29)24(6-15)39-13-19-7-22(32)23(33)8-21(19)31/h1-2,6-8,14,16-18H,3-5,9-13H2,(H2,34,36,37)"	C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=NC6=C5N=C(N=C6Cl)N)OCC7=CC(=C(C=C7F)F)F	YBUGYCGOPKMAQS-UHFFFAOYSA-N
DG66415	1-(6-Chloropurin-9-yl)-3-(4-fluorophenoxy)propan-2-ol	24205958	NSC737433; NSC-737433	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737433	.	.	.	.	322.72	C14H12ClFN4O2	73.1	360	2.3	22	1	6	5	"InChI=1S/C14H12ClFN4O2/c15-13-12-14(18-7-17-13)20(8-19-12)5-10(21)6-22-11-3-1-9(16)2-4-11/h1-4,7-8,10,21H,5-6H2"	C1=CC(=CC=C1OCC(CN2C=NC3=C2N=CN=C3Cl)O)F	XWPNZGVQYWHNRU-UHFFFAOYSA-N
DG66416	1-(2-Deoxy-beta-D-ribofuranosyl)-5-carbomethoxy-2-pyrimidinone	24205959	NSC737453; NSC-737453; 1-(2-Deoxy-.beta.-D-ribofuranosyl)-5-carbomethoxy-2-pyrimidinone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737453	.	.	.	.	270.24	C11H14N2O6	109	447	-1	19	2	6	4	"InChI=1S/C11H14N2O6/c1-18-10(16)6-3-12-11(17)13(4-6)9-2-7(15)8(5-14)19-9/h3-4,7-9,14-15H,2,5H2,1H3"	COC(=O)C1=CN(C(=O)N=C1)C2CC(C(O2)CO)O	GSXLJRFPFXZXEV-UHFFFAOYSA-N
DG66417	"Hydroxybenzoestra-1,5(10),16-tetraen-3-ol"	24205962	"NSC737524; NSC-737524; Hydroxybenzoestra-1,5(10),16-tetraen-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737524	.	.	.	.	320.4	C22H24O2	40.5	490	5.5	24	2	2	0	"InChI=1S/C22H24O2/c1-22-9-8-18-17-7-5-15(23)10-13(17)3-6-19(18)21(22)11-14-2-4-16(24)12-20(14)22/h2,4-5,7,10,12,18-19,21,23-24H,3,6,8-9,11H2,1H3/t18 ,19 ,21 ,22-/m1/s1"	C[C@]12CCC3C(C1CC4=C2C=C(C=C4)O)CCC5=C3C=CC(=C5)O	JPCPTBJRYDEFGW-MAWFMLJDSA-N
DG66418	Bisarylpurines	24205965	Bisarylpurines; NSC737529; NSC-737529	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737529	.	.	.	.	672.7	C36H36N10O4	170	931	3.6	50	4	12	16	"InChI=1S/C36H36N10O4/c47-12-10-37-33-31-35(41-21-39-33)45(23-43-31)17-25-4-1-6-27(14-25)19-49-29-8-3-9-30(16-29)50-20-28-7-2-5-26(15-28)18-46-24-44-32-34(38-11-13-48)40-22-42-36(32)46/h1-9,14-16,21-24,47-48H,10-13,17-20H2,(H,37,39,41)(H,38,40,42)"	C1=CC(=CC(=C1)COC2=CC(=CC=C2)OCC3=CC=CC(=C3)CN4C=NC5=C(N=CN=C54)NCCO)CN6C=NC7=C(N=CN=C76)NCCO	KOPVIXLOMLITBL-UHFFFAOYSA-N
DG66419	"9-Methoxy-6-(piperazin-1-yl)-11H-indeno[1,2-c]quinolin-11-one"	24205986	"CHEMBL408668; SCHEMBL3738458; NSC737606; NSC-737606; 9-Methoxy-6-(piperazin-1-yl)-11H-indeno[1,2-c]quinolin-11-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737606	.	.	.	.	345.4	C21H19N3O2	54.5	535	3.1	26	1	5	2	"InChI=1S/C21H19N3O2/c1-26-13-6-7-14-16(12-13)20(25)18-15-4-2-3-5-17(15)23-21(19(14)18)24-10-8-22-9-11-24/h2-7,12,22H,8-11H2,1H3"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N=C3N5CCNCC5	DNTOUPQUQYDGOQ-UHFFFAOYSA-N
DG66420	"9-Methoxy-6-[4-(dimethylaminoacetyl)piperazino]-11H-indeno[1,2-c]quinoline-11-one"	24205989	"CHEMBL3585350; NSC737609; NSC-737609; 9-Methoxy-6-[4-(dimethylaminoacetyl)piperazino]-11H-indeno[1,2-c]quinoline-11-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737609	.	.	.	.	430.5	C25H26N4O3	66	707	3.1	32	0	6	4	"InChI=1S/C25H26N4O3/c1-27(2)15-21(30)28-10-12-29(13-11-28)25-23-17-9-8-16(32-3)14-19(17)24(31)22(23)18-6-4-5-7-20(18)26-25/h4-9,14H,10-13,15H2,1-3H3"	CN(C)CC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3C4=C2C5=C(C4=O)C=C(C=C5)OC	RBBSVHUIPGZMHB-UHFFFAOYSA-N
DG66421	"9-Methoxy-6-[4-[2-(dimethylamino)ethylaminoacetyl]piperazino]-11H-indeno[1,2-c]quinoline-11-one"	24205990	"CHEMBL3585492; NSC737610; NSC-737610; 9-Methoxy-6-[4-[2-(dimethylamino)ethylaminoacetyl]piperazino]-11H-indeno[1,2-c]quinoline-11-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737610	.	.	.	.	473.6	C27H31N5O3	78	755	2.7	35	1	7	7	"InChI=1S/C27H31N5O3/c1-30(2)11-10-28-17-23(33)31-12-14-32(15-13-31)27-25-19-9-8-18(35-3)16-21(19)26(34)24(25)20-6-4-5-7-22(20)29-27/h4-9,16,28H,10-15,17H2,1-3H3"	CN(C)CCNCC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3C4=C2C5=C(C4=O)C=C(C=C5)OC	PMUCSJCBCXSQLR-UHFFFAOYSA-N
DG66422	"6-[4-[3-[2-(2-Aminoethylamino)ethylamino]propanoyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one"	24205993	NSC737613; NSC-737613	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737613	.	.	.	.	502.6	C28H34N6O3	113	775	1.2	37	3	8	10	"InChI=1S/C28H34N6O3/c1-37-19-6-7-20-22(18-19)27(36)25-21-4-2-3-5-23(21)32-28(26(20)25)34-16-14-33(15-17-34)24(35)8-10-30-12-13-31-11-9-29/h2-7,18,30-31H,8-17,29H2,1H3"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N=C3N5CCN(CC5)C(=O)CCNCCNCCN	COBNUFINIGTBBR-UHFFFAOYSA-N
DG66423	"N-([1]benzofuro[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine"	24205997	NSC737618; NSC-737618	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737618	.	.	.	.	305.4	C19H19N3O	41.3	402	4.1	23	1	4	4	"InChI=1S/C19H19N3O/c1-22(2)12-11-20-18-13-7-3-5-9-15(13)21-19-17(18)14-8-4-6-10-16(14)23-19/h3-10H,11-12H2,1-2H3,(H,20,21)"	CN(C)CCNC1=C2C3=CC=CC=C3OC2=NC4=CC=CC=C41	KIBLWBZMGMREBL-UHFFFAOYSA-N
DG66424	"(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-fluoro-1H-indol-2-one"	24206017	CHEMBL518896; NSC737697; NSC-737697	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737697	.	.	.	.	313.4	C16H12FN3OS	74.6	514	3.8	22	1	4	1	"InChI=1S/C16H12FN3OS/c1-8-7-20-14(9(2)18-16(20)22-8)6-12-11-5-10(17)3-4-13(11)19-15(12)21/h3-7H,1-2H3,(H,19,21)/b12-6+"	CC1=CN2C(=C(N=C2S1)C)/C=C/3\\C4=C(C=CC(=C4)F)NC3=O	NMPQDJPTPTXMEU-WUXMJOGZSA-N
DG66425	"(3Z)-3-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-5-hydroxy-1H-indol-2-one"	24206018	NSC737699; NSC-737699	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737699	.	.	.	.	407.9	C21H14ClN3O2S	94.9	654	5.2	28	2	4	2	"InChI=1S/C21H14ClN3O2S/c1-11-10-25-18(9-16-15-8-14(26)6-7-17(15)23-20(16)27)19(24-21(25)28-11)12-2-4-13(22)5-3-12/h2-10,26H,1H3,(H,23,27)/b16-9-"	CC1=CN2C(=C(N=C2S1)C3=CC=C(C=C3)Cl)/C=C\\4/C5=C(C=CC(=C5)O)NC4=O	NLMZJILKTCBQGM-SXGWCWSVSA-N
DG66426	"(3Z)-3-[[6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one"	24206019	NSC737700; NSC-737700	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737700	.	.	.	.	431.5	C24H21N3O3S	84.3	718	5.1	31	0	5	4	"InChI=1S/C24H21N3O3S/c1-14-13-27-20(12-17-16-7-5-6-8-19(16)26(2)23(17)28)22(25-24(27)31-14)18-11-15(29-3)9-10-21(18)30-4/h5-13H,1-4H3/b17-12-"	CC1=CN2C(=C(N=C2S1)C3=C(C=CC(=C3)OC)OC)/C=C\\4/C5=CC=CC=C5N(C4=O)C	YTWRJKWUAPZLGC-ATVHPVEESA-N
DG66427	(3Z)-5-methoxy-6-methyl-3-[(4-phenoxyphenyl)methylidene]-1H-indol-2-one	24206022	NSC737707; AKOS005145263; NSC-737707	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737707	.	.	.	.	357.4	C23H19NO3	47.6	546	4.8	27	1	3	4	"InChI=1S/C23H19NO3/c1-15-12-21-19(14-22(15)26-2)20(23(25)24-21)13-16-8-10-18(11-9-16)27-17-6-4-3-5-7-17/h3-14H,1-2H3,(H,24,25)/b20-13-"	CC1=CC2=C(C=C1OC)/C(=C/C3=CC=C(C=C3)OC4=CC=CC=C4)/C(=O)N2	GELLHARTFNWRHV-MOSHPQCFSA-N
DG66428	Dimethyl 1-(Diphenylmethylamino)piperonylphosphonate	24206024	NSC737732; NSC-737732; Dimethyl 1-(Diphenylmethylamino)piperonylphosphonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737732	.	.	.	.	425.4	C23H24NO5P	66	552	3.7	30	1	6	8	"InChI=1S/C23H24NO5P/c1-26-30(25,27-2)23(19-13-14-20-21(15-19)29-16-28-20)24-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,22-24H,16H2,1-2H3"	COP(=O)(C(C1=CC2=C(C=C1)OCO2)NC(C3=CC=CC=C3)C4=CC=CC=C4)OC	LVEBSOJTMGFMTA-UHFFFAOYSA-N
DG66429	N1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-pyridyl)piperazino]acetamide	24206025	SCHEMBL2985990; NSC737733; NSC-737733; 1N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-pheridyl)hex ahydro-1-pyrazinyl]acetamide; N1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-pyridyl)piperazino]acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737733	.	.	.	.	469.4	C24H22Cl2N4O2	65.5	644	5.2	32	1	5	6	"InChI=1S/C24H22Cl2N4O2/c25-17-8-9-21(19(15-17)24(32)18-5-1-2-6-20(18)26)28-23(31)16-29-11-13-30(14-12-29)22-7-3-4-10-27-22/h1-10,15H,11-14,16H2,(H,28,31)"	C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl)C4=CC=CC=N4	UFXUUMCOBAZHNF-UHFFFAOYSA-N
DG66430	N1-[4-chloro-2-(2-chlorObenzoyl)phenyl]-2-[4-(2-pyrimidinyl)piperazino]acetamide	24206026	SCHEMBL2984890; NSC737734; NSC-737734; N1-[4-chloro-2-(2-chlorObenzoyl)phenyl]-2-[4-(2-pyrimidinyl)piperazino]acetamide; 1N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-pyrimidinyl) hexahydro-1-pyrazinyl]acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737734	.	.	.	.	470.3	C23H21Cl2N5O2	78.4	640	4.5	32	1	6	6	"InChI=1S/C23H21Cl2N5O2/c24-16-6-7-20(18(14-16)22(32)17-4-1-2-5-19(17)25)28-21(31)15-29-10-12-30(13-11-29)23-26-8-3-9-27-23/h1-9,14H,10-13,15H2,(H,28,31)"	C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl)C4=NC=CC=N4	GYSNKHLVKQRUNC-UHFFFAOYSA-N
DG66431	"2-(3-{4-[5-(4-methyl piperazino)-1H-benzo[d]imidazol-2-yl]phenoxy}propyl-2,3-dione"	24206027	"SCHEMBL12413496; NSC737735; NSC-737735; 2-(3-{4-[5-(4-methyl piperazino)-1H-benzo[d]imidazol-2-yl]phenoxy}propyl-2,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737735	.	.	.	.	545.6	C33H31N5O3	81.8	902	5.3	41	1	6	7	"InChI=1S/C33H31N5O3/c1-36-16-18-37(19-17-36)24-11-14-28-29(21-24)35-31(34-28)23-9-12-25(13-10-23)41-20-4-15-38-32(39)26-7-2-5-22-6-3-8-27(30(22)26)33(38)40/h2-3,5-14,21H,4,15-20H2,1H3,(H,34,35)"	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OCCCN5C(=O)C6=CC=CC7=C6C(=CC=C7)C5=O	KNRGNAFDDSPVOF-UHFFFAOYSA-N
DG66432	"3-(4-isonicotinoyl piperazin-1-yl)-4-phenyl-4H-1,4-benzothiadiazine 1,1-dioxide"	24206028	"NSC737737; NSC-737737; 3-(4-isonicotinoyl piperazin-1-yl)-4-phenyl-4H-1,4-benzothiadiazine 1,1-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737737	.	.	.	.	447.5	C23H21N5O3S	94.6	806	2	32	0	5	3	"InChI=1S/C23H21N5O3S/c29-22(18-10-12-24-13-11-18)26-14-16-27(17-15-26)23-25-32(30,31)21-9-5-4-8-20(21)28(23)19-6-2-1-3-7-19/h1-13H,14-17H2"	C1CN(CCN1C2=NS(=O)(=O)C3=CC=CC=C3N2C4=CC=CC=C4)C(=O)C5=CC=NC=C5	CZDYBPHWCWEKHG-UHFFFAOYSA-N
DG66433	"(E)-2-(1,3-benzoxazol-2-yl)-3-thiophen-3-ylprop-2-enenitrile"	24206036	NSC737747; NSC-737747	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737747	.	.	.	.	252.29	C14H8N2OS	78.1	387	3.3	18	0	4	2	"InChI=1S/C14H8N2OS/c15-8-11(7-10-5-6-18-9-10)14-16-12-3-1-2-4-13(12)17-14/h1-7,9H/b11-7+"	C1=CC=C2C(=C1)N=C(O2)/C(=C/C3=CSC=C3)/C#N	KHMHPBZCARGSGC-YRNVUSSQSA-N
DG66434	"(E)-2-(1,3-benzoxazol-2-yl)-3-pyridin-2-ylprop-2-enenitrile"	24206037	CHEMBL509840; NSC737749; NSC-737749	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737749	.	.	.	.	247.25	C15H9N3O	62.7	397	2.5	19	0	4	2	InChI=1S/C15H9N3O/c16-10-11(9-12-5-3-4-8-17-12)15-18-13-6-1-2-7-14(13)19-15/h1-9H/b11-9+	C1=CC=C2C(=C1)N=C(O2)/C(=C/C3=CC=CC=N3)/C#N	SWGJCVDRRFTLLF-PKNBQFBNSA-N
DG66435	"2-(4-((Oxiran-2-yl)methoxy)styryl)-4,5-dihydrooxazole"	24206038	"NSC737757; NSC-737757; 2-(4-((oxiran-2-yl)methoxy)styryl)-4,5-dihydrooxazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737757	.	.	.	.	245.27	C14H15NO3	43.4	332	1.5	18	0	4	5	"InChI=1S/C14H15NO3/c1(4-12-7-16-10-15-12)11-2-5-13(6-3-11)17-8-14-9-18-14/h1-6,14H,7-10H2/b4-1+"	C1C(O1)COC2=CC=C(C=C2)/C=C/C3=NCOC3	LDHDMCZFOAJJED-DAFODLJHSA-N
DG66436	"2-Benzoyloxymethyl-1,4-naphthoquinone"	24206039	"NSC737760; 2-benzoyloxymethyl-1,4-naphthoquinone; NSC-737760"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737760	.	.	.	.	292.3	C18H12O4	60.4	499	2.8	22	0	4	4	"InChI=1S/C18H12O4/c19-16-10-13(17(20)15-9-5-4-8-14(15)16)11-22-18(21)12-6-2-1-3-7-12/h1-10H,11H2"	C1=CC=C(C=C1)C(=O)OCC2=CC(=O)C3=CC=CC=C3C2=O	STAAWZODIFGDOL-UHFFFAOYSA-N
DG66437	"3-Methoxyestra-1,5(10),16(17H)-tetraeno[16,17:1',2']-(4-ac etylmethyl-1,4-dihydroanthraquinone)"	24206044	"NSC737781; NSC-737781; 3-Methoxyestra-1,5(10),16(17H)-tetraeno[16,17:1',2']-(4-ac etylmethyl-1,4-dihydroanthraquinone)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737781	.	.	.	.	524.6	C34H36O5	69.7	1060	5.7	39	0	5	4	"InChI=1S/C34H36O5/c1-18(35)39-17-21-14-20-16-28-25-10-8-19-15-22(38-3)9-11-23(19)24(25)12-13-34(28,2)31(20)30-29(21)32(36)26-6-4-5-7-27(26)33(30)37/h4-7,9,11,14-15,21,24-25,28-31H,8,10,12-13,16-17H2,1-3H3/t21 ,24 ,25 ,28 ,29 ,30 ,31 ,34-/m0/s1"	CC(=O)OCC1C=C2CC3C4CCC5=C(C4CC[C@@]3(C2C6C1C(=O)C7=CC=CC=C7C6=O)C)C=CC(=C5)OC	SDEFWQKXHUMHJI-FECQQWDWSA-N
DG66438	"2-amino-4-[(E)-2-(4-methoxyphenyl)vinyl]-5-oxo-5,7,8-tetra hydro-4H-chromene-3-carbonitrile"	24206054	"NSC737793; NSC-737793; 2-amino-4-[(E)-2-(4-methoxyphenyl)vinyl]-5-oxo-5,7,8-tetra hydro-4H-chromene-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737793	.	.	.	.	322.4	C19H18N2O3	85.3	657	2.6	24	1	5	3	"InChI=1S/C19H18N2O3/c1-23-13-8-5-12(6-9-13)7-10-14-15(11-20)19(21)24-17-4-2-3-16(22)18(14)17/h5-10,14H,2-4,21H2,1H3/b10-7+"	COC1=CC=C(C=C1)/C=C/C2C(=C(OC3=C2C(=O)CCC3)N)C#N	JOLTWOARDZXMCV-JXMROGBWSA-N
DG66439	(2Z)-2-amino-3-[((1Z)-{4-[2-(methoxymethyl)pyrrolidin-1-yl]p henyl}methylene)amino]but-2-enedinitrile	24206055	NSC737799; NSC-737799; (2Z)-2-amino-3-[((1Z)-{4-[2-(methoxymethyl)pyrrolidin-1-yl]p henyl}methylene)amino]but-2-enedinitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737799	.	.	.	.	309.4	C17H19N5O	98.4	556	1.5	23	1	6	5	"InChI=1S/C17H19N5O/c1-23-12-15-3-2-8-22(15)14-6-4-13(5-7-14)11-21-17(10-19)16(20)9-18/h4-7,11,15H,2-3,8,12,20H2,1H3/b17-16-,21-11 "	COCC1CCCN1C2=CC=C(C=C2)C=N/C(=C(/C#N)\\N)/C#N	BYFQRGBWWWKBII-YCQPAETHSA-N
DG66440	(2Z)-2-cyano-3-{4-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl}p rop-2-enethioamide	24206056	NSC737800; NSC-737800; (2Z)-2-cyano-3-{4-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl}p rop-2-enethioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737800	.	.	.	.	301.4	C16H19N3OS	94.4	446	2.3	21	1	4	5	"InChI=1S/C16H19N3OS/c1-20-11-15-3-2-8-19(15)14-6-4-12(5-7-14)9-13(10-17)16(18)21/h4-7,9,15H,2-3,8,11H2,1H3,(H2,18,21)/b13-9-"	COCC1CCCN1C2=CC=C(C=C2)/C=C(/C#N)\\C(=S)N	CMJBCNKEILSWAD-LCYFTJDESA-N
DG66441	"4-Chloro-N-(6-chloro-7-methyl-1,4,2-benzodithiazin-3-yl)-N-(dimethylamino)benzesulfonamide"	24206071	"CHEMBL234380; NSC740008; NSC-740008; 4-Chloro-N-(6-chloro-7-methyl-1,4,2-benzodithiazin -3-yl)-N-(dimethylamino)benzesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740008	.	.	.	.	480.4	C16H15Cl2N3O4S3	129	815	4.5	28	0	7	4	"InChI=1S/C16H15Cl2N3O4S3/c1-10-8-15-14(9-13(10)18)26-16(19-27(15,22)23)21(20(2)3)28(24,25)12-6-4-11(17)5-7-12/h4-9H,1-3H3"	CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)N(N(C)C)S(=O)(=O)C3=CC=C(C=C3)Cl	STCACWIWRZDSJT-UHFFFAOYSA-N
DG66442	"Methyl 6-chloro-3-[5-bromo-N-(dimethylamino)-3-thienylsulfonamido]-1,-dioxo-1,4,2-benzodithiazine-7-carboxylate"	24206073	"CHEMBL232861; NSC740010; NSC-740010; Methyl 6-chloro-3-[5-bromo-N-(dimethylamino)-3-thienylsulfonamido]- 1,-dioxo-1,4,2-benzodithiazine-7-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740010	.	.	.	.	574.9	C15H13BrClN3O6S4	184	920	4.4	30	0	10	6	"InChI=1S/C15H13BrClN3O6S4/c1-19(2)20(30(24,25)13-5-4-12(16)28-13)15-18-29(22,23)11-6-8(14(21)26-3)9(17)7-10(11)27-15/h4-7H,1-3H3"	CN(C)N(C1=NS(=O)(=O)C2=C(S1)C=C(C(=C2)C(=O)OC)Cl)S(=O)(=O)C3=CC=C(S3)Br	SDJKJGUEOCBRES-UHFFFAOYSA-N
DG66443	"Ethyl 6-chloro-3-[N-(4-fluorophenyl)-5-methoxybenzenesulfonamido]-1,4,2-benzodithiazine-7-carboxylate"	24206075	"CHEMBL233272; NSC740012; NSC-740012; Ethyl 6-chloro-3-[N-(4-fluorophenyl)-5-methoxybenzenesulfonamido]- 1,4,2-benzodithiazine-7-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740012	.	.	.	.	585	C23H18ClFN2O7S3	162	1060	5.1	37	0	10	8	"InChI=1S/C23H18ClFN2O7S3/c1-3-34-22(28)18-12-21-20(13-19(18)24)35-23(26-36(21,29)30)27(15-6-4-14(25)5-7-15)37(31,32)17-10-8-16(33-2)9-11-17/h4-13H,3H2,1-2H3"	CCOC(=O)C1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)N(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=C(C=C4)OC	PYTNSNPHCLJYHX-UHFFFAOYSA-N
DG66444	"8-Quinolyl 6-chloro-3-[N-(4-fluorophenyl)-5-bromo-2-thienylsulfonamido]-1,4,2-benzodithiazine-7-carboxylate"	24206076	"CHEMBL392631; NSC740013; NSC-740013; 8-Quinolyl 6-chloro-3-[N-(4-fluorophenyl)-5-bromo-2-thienylsulfonamido] -1,4,2-benzodithiazine-7-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740013	.	.	.	.	739	C27H14BrClFN3O6S4	193	1290	7.6	43	0	11	7	"InChI=1S/C27H14BrClFN3O6S4/c28-23-10-11-24(41-23)43(37,38)33(17-8-6-16(30)7-9-17)27-32-42(35,36)22-13-18(19(29)14-21(22)40-27)26(34)39-20-5-1-3-15-4-2-12-31-25(15)20/h1-14H"	C1=CC2=C(C(=C1)OC(=O)C3=CC4=C(C=C3Cl)SC(=NS4(=O)=O)N(C5=CC=C(C=C5)F)S(=O)(=O)C6=CC=C(S6)Br)N=CC=C2	REYYNJDOUVLINY-UHFFFAOYSA-N
DG66445	"Ethyl 6-chloro-3-[N-(4-methoxyphenyl)-4-chlorobenzenesulfonamido]-1,4,2-benzodithiazine-7-carboxylate"	24206077	"CHEMBL233071; NSC740014; NSC-740014; Ethyl 6-chloro-3-[N-(4-methoxyphenyl)-4-chlorobenzenesulfonamido]- 1,4,2-benzodithiazine-7-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740014	.	.	.	.	601.5	C23H18Cl2N2O7S3	162	1060	5.6	37	0	9	8	"InChI=1S/C23H18Cl2N2O7S3/c1-3-34-22(28)18-12-21-20(13-19(18)25)35-23(26-36(21,29)30)27(15-6-8-16(33-2)9-7-15)37(31,32)17-10-4-14(24)5-11-17/h4-13H,3H2,1-2H3"	CCOC(=O)C1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)N(C3=CC=C(C=C3)OC)S(=O)(=O)C4=CC=C(C=C4)Cl	FUBJMCFDBDPAHE-UHFFFAOYSA-N
DG66446	"4-(2-Benzylthio-4-chloro-5-methylbenzenesulfonyl)-5,4-dihydro-[1,2,4]triazepin-3-ylideneamine"	24206087	"NSC740024; NSC-740024; 4-(2-Benzylthio-4-chloro-5-methylbenzenesulfonyl)-5,4-dihydro-[1,2,4]triazepin-3-ylideneamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740024	.	.	.	.	449	C20H21ClN4O2S2	122	785	4.9	29	1	5	5	"InChI=1S/C20H21ClN4O2S2/c1-13-9-19(18(11-17(13)21)28-12-16-7-5-4-6-8-16)29(26,27)25-15(3)10-14(2)23-24-20(25)22/h4-11H,12H2,1-3H3,(H2,22,24)"	CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)N3C(=CC(=NN=C3N)C)C	NDYWWIDREUJQAE-UHFFFAOYSA-N
DG66447	4-[2-[2-(4-Carbamimidoylanilino)ethoxy]ethylamino]benzenecarboximidamide;hydrochloride	24206088	"1,5-bis[(4-amidinophenyl)amino]-3-oxapentane dihydrochloride; CHEMBL3287152; NSC740025; NSC-740025"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740025	.	.	.	.	376.9	C18H25ClN6O	133	376	.	26	7	5	10	"InChI=1S/C18H24N6O.ClH/c19-17(20)13-1-5-15(6-2-13)23-9-11-25-12-10-24-16-7-3-14(4-8-16)18(21)22;/h1-8,23-24H,9-12H2,(H3,19,20)(H3,21,22);1H"	C1=CC(=CC=C1C(=N)N)NCCOCCNC2=CC=C(C=C2)C(=N)N.Cl	JSDJMXJOLQPQAM-UHFFFAOYSA-N
DG66448	"1,6-Dimetoxyphenoxy]-3-oxapentane"	24206089	"1,6-dimetoxyphenoxy]-3-oxapentane; NSC740026; NSC-740026"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740026	.	.	.	.	428.4	C22H24N2O7	112	536	2.7	31	0	9	12	"InChI=1S/C22H24N2O7/c1-25-17-9-15(13-23)10-18(26-2)21(17)30-7-5-29-6-8-31-22-19(27-3)11-16(14-24)12-20(22)28-4/h9-12H,5-8H2,1-4H3"	COC1=CC(=CC(=C1OCCOCCOC2=C(C=C(C=C2OC)C#N)OC)OC)C#N	QXBMPVBLQGJKNG-UHFFFAOYSA-N
DG66449	"(2E,5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-3-cyclopentyl-2-(phenylimino)-1,3-thiazolidin-4-one"	24214228	"NSC766417; STK324781; AKOS005430233; ZINC100618939; NSC-766417; SR-01000440625; SR-01000440625-1; (2E,5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-3-cyclopentyl-2-(phenylimino)-1,3-thiazolidin-4-one; (2Z,5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-cyclopentyl-2-(phenylimino)-1,3-thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766417	.	.	.	.	476	C27H26ClN3OS	62.9	765	7.3	33	0	3	4	"InChI=1S/C27H26ClN3OS/c1-18-16-20(19(2)30(18)24-14-12-21(28)13-15-24)17-25-26(32)31(23-10-6-7-11-23)27(33-25)29-22-8-4-3-5-9-22/h3-5,8-9,12-17,23H,6-7,10-11H2,1-2H3/b25-17-,29-27 "	CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)/C=C\\3/C(=O)N(C(=NC4=CC=CC=C4)S3)C5CCCC5	DHRLFEJASBKCIX-YMTQWUKOSA-N
DG66450	(s)-n-((s)-1-Cyclohexyl-2-((s)-2-(4-(4-fluorobenzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)-2-(methylamino)propanamide	24737642	"LCL161; 1005342-46-0; LCL-161; LCL 161; (s)-n-((s)-1-cyclohexyl-2-((s)-2-(4-(4-fluorobenzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)-2-(methylamino)propanamide; UNII-6TNS415Y3P; 6TNS415Y3P; CHEMBL2431768; (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide; Nvp-lcl 161; NVP-LCL161; C26H33FN4O3S; GTPL7912; SCHEMBL1275369; AOB4073; EX-A533; 2508AH; BDBM50441356; MFCD23160049; NSC772868; s7009; ZINC95929260; CCG-269696; CS-1630; DB12085; NSC-772868; NCGC00378579-07; AC-32971; BP-25378; HY-15518; J3.566.398C; Q27079405; (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylaminopropanamide; Propanamide, N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-2-thiazolyl]-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)-, (2S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772868	.	.	.	.	500.6	C26H33FN4O3S	120	757	4.3	35	2	7	8	"InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1"	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC	UFPFGVNKHCLJJO-SSKFGXFMSA-N
DG66451	Triazolothiadaizoles	24744454	"TRIAZOLOTHIADAIZOLES; NSC741321; NSC-741321; 3-(2,4-dichloro-5-fluorophenyl)-6-(4-methoxyphenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741321	.	.	.	.	395.2	C16H9Cl2FN4OS	80.6	473	4.9	25	0	6	3	"InChI=1S/C16H9Cl2FN4OS/c1-24-9-4-2-8(3-5-9)15-22-23-14(20-21-16(23)25-15)10-6-13(19)12(18)7-11(10)17/h2-7H,1H3"	COC1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C4=CC(=C(C=C4Cl)Cl)F	RGRMDSUIDOUXCS-UHFFFAOYSA-N
DG66452	MK-5108	24748204	"MK-5108; 1010085-13-8; VX-689; MK 5108; MK5108; MK-5108 (VX-689); UNII-H8J407531S; 4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid; CHEMBL3600873; H8J407531S; (1r,4r)-4-(3-chloro-2-fluorophenoxy)-1-((6-(thiazol-2-ylamino)pyridin-2-yl)methyl)cyclohexane-1-carboxylic acid; 4-(3-Chloranyl-2-Fluoranyl-Phenoxy)-1-[[6-(1,3-Thiazol-2-Ylamino)pyridin-2-Yl]methyl]cyclohexane-1-Carboxylic Acid; Cyclohexanecarboxylic acid, 4-(3-chloro-2-fluorophenoxy)-1-[[6-(2-thiazolylamino)-2-pyridinyl]methyl]-, trans-;Cyclohexanecarboxylic acid, 4-(3-chloro-2-fluorophenoxy)-1-[[6-(2-thiazolylamino)-2-pyridinyl]methyl]-, trans-; VX689; VX 689; MK-5198; C22H21ClFN3O3S; MLS006011047; GTPL8061; SCHEMBL1501371; SCHEMBL1501374; CHEMBL3182444; EX-A093; CHEBI:125340; BDBM109209; HMS3656D06; AOB87711; BCP04741; BDBM50175305; MFCD22124479; NSC773262; NSC800796; s2770; ZINC73069245; AKOS030257563; ZINC100015580; ZINC252670601; BCP9000941; CCG-269362; CS-0696; DB12556; NSC-773262; NSC-800796; SB19306; NCGC00346657-01; NCGC00381554-06; AC-28427; AS-17040; Cyclohexanecarboxylic acid, 4-(3-chloro-2-fluorophenoxy)-1-((6-(2-thiazolylamino)-2-pyridinyl)methyl)-, trans-; HY-13252; SMR004702839; BCP0726000016; SW220174-1; X5834; J3.559.814F; J3.596.755I; J-690006; BRD-K53665955-001-01-4; Q27086849; Q27456050; 4-(3-Chloro-2-fluorophenoxy)-1-[[6-(2-thiazoylamino)-2-pyridinyl]methyl]cyclohexanecarboxylic acid; 5VC; trans-4-(3-Chloro-2-fluorophenoxy)-1-((6-(thiazol-2-ylamino)pyridin-2-yl)methyl)cyclohexane-1-carboxylic acid; trans-4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid; trans-4-(3-Chloro-2-fluorophenoxy)-1-{[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl}cyclohexanecarboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773262	.	.	.	.	461.9	C22H21ClFN3O3S	113	611	5.4	31	2	8	7	"InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)"	C1CC(CCC1OC2=C(C(=CC=C2)Cl)F)(CC3=NC(=CC=C3)NC4=NC=CS4)C(=O)O	LCVIRAZGMYMNNT-UHFFFAOYSA-N
DG66453	Silmitasertib	24748573	"Silmitasertib; 1009820-21-6; CX-4945; 5-((3-Chlorophenyl)amino)benzo[c][2,6]naphthyridine-8-carboxylic acid; CX4945; CX-4945 (Silmitasertib); CX 4945; UNII-C6RWP0N0L2; CX4945 (Silmitasertib); 5-(3-chlorophenylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid; 5-[(3-chlorophenyl)amino]-Benzo[c]-2,6-naphthyridine-8-carboxylic acid; C6RWP0N0L2; Silmitasertib (CX-4945); CHEMBL1230165; 5-((3-Chlorophenyl)amino)benzo-[c][2,6]naphthyridine-8-carboxylic acid; 5-[(3-chlorophenyl)amino]benzo[c]2,6-naphthyridine-8-carboxylic acid; 5-[(3-Chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-Carboxylic Acid; C19H12ClN3O2; 5-(3-chlorophenylamino)benzo(c)(2,6)naphthyridine-8-carboxylic acid; Silmitasertib [INN]; 3NG; Cx-4945 free acid; 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid; Silmitasertib; CX 4945; CX-4945 (Silmitaserib); CX 4945 (Silmitasertib); CX-4945 - Silmitasertib; SCHEMBL629082; GTPL8126; AOB2757; DTXSID40143602; EX-A070; QCR-248; SYN1109; HMS3244M13; HMS3244M14; HMS3244N13; HMS3655F16; HMS3746E13; BCP02399; BDBM50335638; MFCD13184796; NSC761193; NSC800885; s2248; ZINC58638454; 5-[(3-Chlorophenyl)amino]benzo[c]-2,6-naphthyridine-8-carboxylic acid; AKOS005266722; ACN-029586; BCP9000560; CCG-264955; CS-0563; DB15408; EX-8673; NSC-761193; NSC-800885; SB17201; NCGC00263192-01; NCGC00263192-02; NCGC00263192-09; AC-28426; AS-16253; HY-50855; DB-016103; FT-0723994; SW218157-2; X7439; A25034; J-000296; J-516169; W-204393; CX-4945,CAS:1009820-21-6; Q27076934; 5-[(3-chlorophenyl)amino]pyrido[4,3-c]quinoline-8-carboxylic acid; Benzo[c]-2,6-naphthyridine-8-carboxylic acid, 5-[(3-chlorophenyl)amino]-; CX-4945; ; ; 5-(3-Chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761193	.	.	.	.	349.8	C19H12ClN3O2	75.1	491	4.4	25	2	5	3	"InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)"	C1=CC(=CC(=C1)Cl)NC2=NC3=C(C=CC(=C3)C(=O)O)C4=C2C=CN=C4	MUOKSQABCJCOPU-UHFFFAOYSA-N
DG66454	"2-bromo-N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline"	24756574	SCHEMBL13290925; NSC741594; NSC-741594	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741594	.	.	.	.	330.22	C16H16BrN3	20.5	336	4.6	20	0	2	2	"InChI=1S/C16H16BrN3/c1-11-4-7-16-18-14(10-20(16)9-11)12-5-6-15(19(2)3)13(17)8-12/h4-10H,1-3H3"	CC1=CN2C=C(N=C2C=C1)C3=CC(=C(C=C3)N(C)C)Br	PPBRMMFRJBQXTG-UHFFFAOYSA-N
DG66456	NSC825254	24764416	"(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32R,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one; NSC825254; NSC-825254"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	825254	.	.	.	.	729.9	C40H59NO11	146	1380	1.1	52	2	12	4	"InChI=1S/C40H59NO11/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,43H,2-3,5-18,41H2,1,4H3/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36-,37+,38-,39+,40+/m1/s1"	C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@@H](CN)O	UFNVPOGXISZXJD-NJYFXJPISA-N
DG66457	NSC754346	24764449	"1-(2-Hydroxy-2-methylpropyl)-N-(5-((7-methoxyquinolin-4-yl)oxy)pyridin-2-yl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide; AMG-458; 913376-83-7; AMG 458; AMG458; UNII-4535RW5Y3A; 1-(2-Hydroxy-2-methylpropyl)-N-(5-((7-methoxyquinolin-4-yl)oxy)pyridin-2-yl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide; 4535RW5Y3A; 1-(2-hydroxy-2-methylpropyl)-N-[5-(7-methoxyquinolin-4-yl)oxypyridin-2-yl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide; 1-(2-hydroxy-2-methylpropyl)-N-[5-[(7-methoxyquinolin-4-yl)oxy]pyridin-2-yl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide; C30H29N5O5; 1-(2-Hydroxy-2-methylpropyl)-N-(5-(7-methoxyquinolin-4-yloxy)pyridin-2-yl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide; 1-(2-hydroxy-2-methylpropyl)-N-{5-[(7-methoxyquinolin-4-yl)oxy]pyridin-2-yl}-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide; Substituted Pyrazolone, 17; AMG-458 (c-Met); MLS006010963; SCHEMBL197714; CHEMBL460472; BDBM24466; AMG-458,AMG458; DTXSID80238521; SYN1144; HMS3656H21; BCP01917; EX-A2447; 2209AH; NSC754346; s2747; ZINC43194549; AKOS027422876; CCG-269954; NSC-754346; SB19374; NCGC00346670-01; NCGC00346670-05; 1H-Pyrazole-4-carboxamide, 2,3-dihydro-1-(2-hydroxy-2-methylpropyl)-N-(5-((7-methoxy-4-quinolinyl)oxy)-2-pyridinyl)-5-methyl-3-oxo-2-phenyl-; AS-16283; HY-14723; SMR004702767; AMG-458(AMG458;AMG 458); CS-0003527; FT-0752842; SW220166-1; A24894; Q27258802; 1 1H-Pyrazole-4-carboxamide, 2,3-dihydro-1-(2-hydroxy-2-methylpropyl)-N-[5-[(7-methoxy-4-quinolinyl)oxy]-2-pyridinyl]-5-methyl-3-oxo-2-phenyl-; 2,3-dihydro-1-(2-hydroxy-2-methylpropyl)-N-[5-[(7-methoxy-4-quinolinyl)oxy]-2-pyridinyl]-5-methyl-3-oxo-2-phenyl-1H-Pyrazole-4-carboxamide;AMG-458"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754346	.	.	.	.	539.6	C30H29N5O5	117	951	4	40	2	8	8	"InChI=1S/C30H29N5O5/c1-19-27(29(37)35(20-8-6-5-7-9-20)34(19)18-30(2,3)38)28(36)33-26-13-11-22(17-32-26)40-25-14-15-31-24-16-21(39-4)10-12-23(24)25/h5-17,38H,18H2,1-4H3,(H,32,33,36)"	CC1=C(C(=O)N(N1CC(C)(C)O)C2=CC=CC=C2)C(=O)NC3=NC=C(C=C3)OC4=C5C=CC(=CC5=NC=C4)OC	GLBZSOQDAOLMGC-UHFFFAOYSA-N
DG66458	Pexmetinib	24765037	"Pexmetinib; 945614-12-0; ARRY-614; Pexmetinib (ARRY-614); UNII-3750D0U8B5; 3750D0U8B5; 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[[5-fluoro-2-[1-(2-hydroxyethyl)indazol-5-yl]oxyphenyl]methyl]urea; 1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(5-fluoro-2-((1-(2-hydroxyethyl)-1H-indazol-5-yl)oxy)benzyl)urea; Pexmetinib [INN]; Pexmetinib;ARRY-614; Pexmetinib(ARRY-614); ARRY614; SCHEMBL379035; GTPL9917; CHEMBL3991932; BCP28410; EX-A1421; BDBM50563437; NSC778367; NSC800844; s7799; ZINC41747181; CCG-270035; NSC-778367; NSC-800844; SB16914; NCGC00481573-01; AS-56216; HY-16782; N-(3-tert-Butyl-1-p-tolyl-1H-pyrazol-5-yl)-N'-(5-fluoro-2-(1-(2-hydroxyethyl)-1H-indazol-5-yloxy)benzyl)urea; Urea, N-(3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)-N'-((5-fluoro-2-((1-(2-hydroxyethyl)-1H-indazol-5-yl)oxy)phenyl)methyl)-; ARRY614; ARRY-614; ARRY 614; CS-0012413; D71161; A902738; Q27256630; 1-(3-tert-Butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-((5-fluoro-2-(1-(2-hydroxyethyl)-1H-indazol-5-yloxy)phenyl)methyl)urea; 1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(5-fluoro-2-(1-(2-hydroxyethyl)-1H-indazol-5-yloxy)benzyl)urea; 1073667-64-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	778367	.	.	.	.	556.6	C31H33FN6O3	106	852	5.3	41	3	6	9	"InChI=1S/C31H33FN6O3/c1-20-5-8-24(9-6-20)38-29(17-28(36-38)31(2,3)4)35-30(40)33-18-22-15-23(32)7-12-27(22)41-25-10-11-26-21(16-25)19-34-37(26)13-14-39/h5-12,15-17,19,39H,13-14,18H2,1-4H3,(H2,33,35,40)"	CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NCC3=C(C=CC(=C3)F)OC4=CC5=C(C=C4)N(N=C5)CCO	LNMRSSIMGCDUTP-UHFFFAOYSA-N
DG66459	"n-(5-Ethyl-hexahydro-1-isopropyl-2,4,6-trioxo-5-pyrimidinyl)-2,3,4,5-tetrafluorobenzamide"	24765568	"SCHEMBL825954; NSC748723; NSC-748723; n-(5-ethyl-hexahydro-1-isopropyl-2,4,6-trioxo-5-pyrimidinyl)-2,3,4,5-tetrafluorobenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748723	.	.	.	.	389.3	C16H15F4N3O4	95.6	662	2	27	2	8	4	"InChI=1S/C16H15F4N3O4/c1-4-16(13(25)21-15(27)23(6(2)3)14(16)26)22-12(24)7-5-8(17)10(19)11(20)9(7)18/h5-6H,4H2,1-3H3,(H,22,24)(H,21,25,27)"	CCC1(C(=O)NC(=O)N(C1=O)C(C)C)NC(=O)C2=CC(=C(C(=C2F)F)F)F	WEQZEPJNZZNZTG-UHFFFAOYSA-N
DG66460	"5-Ethyl-1-propyl-5-(4,5,6,7-tetrafluoro-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione"	24765667	"SCHEMBL825905; NSC748724; NSC-748724; 5-Ethyl-1-propyl-5-(4,5,6,7-tetrafluoro-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748724	.	.	.	.	415.3	C17H13F4N3O5	104	763	1.8	29	1	9	4	"InChI=1S/C17H13F4N3O5/c1-3-5-23-15(28)17(4-2,14(27)22-16(23)29)24-12(25)6-7(13(24)26)9(19)11(21)10(20)8(6)18/h3-5H2,1-2H3,(H,22,27,29)"	CCCN1C(=O)C(C(=O)NC1=O)(CC)N2C(=O)C3=C(C2=O)C(=C(C(=C3F)F)F)F	MWDYWHXATUVQTR-UHFFFAOYSA-N
DG66461	"1-Ethyl-5-methyl-5-(4,5,6,7-tetrafluoro-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione"	24765668	"SCHEMBL825911; NSC748722; NSC-748722; 1-Ethyl-5-methyl-5-(4,5,6,7-tetrafluoro-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748722	.	.	.	.	387.24	C15H9F4N3O5	104	732	0.8	27	1	9	2	"InChI=1S/C15H9F4N3O5/c1-3-21-13(26)15(2,12(25)20-14(21)27)22-10(23)4-5(11(22)24)7(17)9(19)8(18)6(4)16/h3H2,1-2H3,(H,20,25,27)"	CCN1C(=O)C(C(=O)NC1=O)(C)N2C(=O)C3=C(C2=O)C(=C(C(=C3F)F)F)F	NUGXXGLKPAJMEO-UHFFFAOYSA-N
DG66462	Salarin A	24766296	Salarin A; SCHEMBL13019986; NSC750153; NSC-750153	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750153	.	.	.	.	686.7	C35H46N2O12	188	1370	3.8	49	1	12	14	"InChI=1S/C35H46N2O12/c1-5-6-7-8-9-16-29(42)45-20-13-12-14-25-31(46-25)33-34(49-35(44)36-23(3)38)32-26(47-32)19-18-22(2)21-28(41)37(24(4)39)27(40)15-10-11-17-30(43)48-33/h10-12,14-15,17,21,25-26,31-34H,5-9,13,16,18-20H2,1-4H3,(H,36,38,44)/b14-12+,15-10+,17-11-,22-21-"	CCCCCCCC(=O)OCC/C=C/C1C(O1)C2C(C3C(O3)CC/C(=C\\C(=O)N(C(=O)/C=C/C=C\\C(=O)O2)C(=O)C)/C)OC(=O)NC(=O)C	KQVPLNKIWHZUGZ-VFVKEPLOSA-N
DG66463	Tak-593	24767976	"TAK-593; 1005780-62-0; UNII-H3I42X8XX7; TAK 593; H3I42X8XX7; CHEMBL2180604; 1H-Pyrazole-5-carboxamide, N-[5-[[2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]oxy]-2-methylphenyl]-1,3-dimethyl-;1H-Pyrazole-5-carboxamide, N-[5-[[2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]oxy]-2-methylphenyl]-1,3-dimethyl-; N-(5-((2-(cyclopropanecarboxamido)imidazo[1,2-b]pyridazin-6-yl)oxy)-2-methylphenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide; N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide; SCHEMBL2515478; BDBM50399537; NSC800939; ZINC95579919; DB13093; NSC-800939; NCGC00485933-01; 1H-Pyrazole-5-carboxamide, N-(5-((2-((cyclopropylcarbonyl)amino)imidazo(1,2-b)pyridazin-6-yl)oxy)-2-methylphenyl)-1,3-dimethyl-; HY-15506; B3268; A13555; C13977; Q27279595; N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-methylphenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800939	.	.	.	.	445.5	C23H23N7O3	115	735	2.4	33	2	6	6	"InChI=1S/C23H23N7O3/c1-13-4-7-16(11-17(13)24-23(32)18-10-14(2)27-29(18)3)33-21-9-8-20-25-19(12-30(20)28-21)26-22(31)15-5-6-15/h4,7-12,15H,5-6H2,1-3H3,(H,24,32)(H,26,31)"	CC1=C(C=C(C=C1)OC2=NN3C=C(N=C3C=C2)NC(=O)C4CC4)NC(=O)C5=CC(=NN5C)C	DZFZXPPHBWCXPQ-UHFFFAOYSA-N
DG66464	4-[5-(Phenyl)-3-(methylselenocyanide) pyrazol-1-yl]benzenesulfonamide	24770674	NSC750100; NSC-750100; 4-[5-(phenyl)-3-(methylselenocyanide) pyrazol-1-yl]benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750100	.	.	.	.	417.4	C17H14N4O2SSe	110	586	.	25	1	5	5	"InChI=1S/C17H14N4O2SSe/c18-12-25-11-14-10-17(13-4-2-1-3-5-13)21(20-14)15-6-8-16(9-7-15)24(19,22)23/h1-10H,11H2,(H2,19,22,23)"	C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C[Se]C#N	IGBJWNFJSAPHDY-UHFFFAOYSA-N
DG66465	Alisertib	24771867	"Alisertib; 1028486-01-2; MLN8237; MLN-8237; MLN 8237; MLN8237 (Alisertib); 4-((9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-yl)amino)-2-methoxybenzoic acid; UNII-T66ES73M18; 4-[[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid; CHEMBL483158; T66ES73M18; 4-((9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido-[4,5-e]azepin-2-yl)amino)-2-methoxybenzoic acid; 4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-ylamino)-2-methoxybenzoic acid; 4-{[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxybenzoic acid; Alisertib [USAN:INN]; Alisertib (USAN); MLN8237,Alisertib; Kinome_3770; Alisertib; MLN8237; Alisertib (MLN8237); MLN8237 - Alisertib; C27H20ClFN4O4; MLS006011041; SCHEMBL855823; GTPL7790; DTXSID30145539; EX-A024; MIN8237; CHEBI:125628; HMS3654E08; HMS3673I07; HMS3743E17; AMY24201; AOB87191; BCP01823; BDBM50277545; MFCD16621243; NSC759677; NSC799329; s1133; ZINC40939534; AKOS015924647; ACN-029381; BCP9000956; CCG-264832; CS-0106; DB05220; NSC-759677; NSC-799329; QC-9147; SB16658; NCGC00263271-01; NCGC00263271-02; NCGC00263271-10; AC-25236; AS-17005; HY-10971; SMR004702834; FT-0672433; SW219771-1; X7389; D10085; J-514220; BRD-K75295174-001-03-5; Q15633917; 4-((9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido-[4,5-e]azepin-2-yl)amino)-2-methoxy MLN 8237 (Contain 10% DMSO); 4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[e]pyrimido[5,4-c]azepin-2-ylamino)-2-methoxybenzoic acid; 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxy-benzoic acid; 4-{[9-chloro-7-(2-fluoro-6-methoxyphenyl) -5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxybenzoic acid; A5B; Benzoic acid, 4-((9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido(5,4-d)(2)benzazepin-2-yl)amino)-2-methoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759677	.	.	.	.	518.9	C27H20ClFN4O4	106	836	5	37	2	9	6	"InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)"	COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC	ZLHFILGSQDJULK-UHFFFAOYSA-N
DG66467	Sgx-523	24779724	"SGX-523; 1022150-57-7; SGX523; SGX 523; 6-(6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylthio)quinoline; UNII-WH8SQN09KJ; WH8SQN09KJ; CHEMBL1236107; CHEBI:90624; 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline; 6-((6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)quinoline; 6-[[6-(1-Methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]thio]quinoline; C18H13N7S; BDBM50355498; Quinoline, 6-[[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]thio]-;Quinoline, 6-[[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]thio]-; 3dkf; 3dkg; MLS006010279; GTPL5709; SCHEMBL4496422; BDBM60589; DTXSID70647300; SYN1155; HMS3295E13; HMS3654I04; AOB87181; BCP01772; EX-A1482; NSC758591; NSC800884; s1112; ZINC39129916; AKOS025117577; CCG-264717; CS-0154; DB06314; DB08584; NSC-758591; NSC-800884; SB19371; 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline; Quinoline, 6-((6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)thio)-; NCGC00263163-01; NCGC00263163-02; AC-28431; AS-16292; HY-12019; SMR004701349; FT-0697187; SW219713-1; X7475; EC-000.2355; A25498; J-518184; BRD-K19477839-001-01-9; Q27088796; Met Kinase Inhibitor VI, SGX523 - CAS 1022150-57-7; 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[5,4-f]pyridazin-3-yl]sulfanyl]quinoline; 6-[6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]-quinoline; 6-{[6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline (4)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758591	.	.	.	.	359.4	C18H13N7S	99.1	494	2.4	26	0	6	3	"InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3"	CN1C=C(C=N1)C2=NN3C(=NN=C3SC4=CC5=C(C=C4)N=CC=C5)C=C2	BCZUAADEACICHN-UHFFFAOYSA-N
DG66468	Unii-B68083E4YG	24780387	"CEP-9722; UNII-B68083E4YG; 916574-83-9; B68083E4YG; 11-methoxy-2-((4-methylpiperazin-1-yl)methyl)-4,5,6,7-tetrahydro-1H-cyclopenta[a]pyrrolo[3,4-c]carbazole-1,3(2H)-dione; SCHEMBL3359996; CHEMBL4297461; CEP 9722 [WHO-DD]; CEP 9722; NSC768593; DB14882; NSC-768593; HY-105303; CS-0025682; 14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione; 1H-Cyclopenta(a)pyrrolo(3,4-C)carbazole-1,3(2H)-dione, 4,5,6,7-tetrahydro-11-methoxy-2-((4-methyl-1-piperazinyl)methyl)-; 4,5,6,7-Tetrahydro-11-methoxy-2-((4-methyl-1-piperazinyl)methyl)-1H-cyclopenta(a)pyrrolo(3,4-C)carbazole-1,3(2H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768593	.	.	.	.	418.5	C24H26N4O3	68.9	738	3.1	31	1	5	3	"InChI=1S/C24H26N4O3/c1-26-9-11-27(12-10-26)13-28-23(29)18-14-5-3-6-15(14)22-20(21(18)24(28)30)19-16(25-22)7-4-8-17(19)31-2/h4,7-8,25H,3,5-6,9-13H2,1-2H3"	CN1CCN(CC1)CN2C(=O)C3=C(C2=O)C4=C(C5=C3CCC5)NC6=C4C(=CC=C6)OC	CTLOSZHDGZLOQE-UHFFFAOYSA-N
DG66469	NSC741459	24780427	"(11aS)-8-(3-[(11aS)-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxypropoxy)-2,2-difluoro-7-methoxy-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one; CHEMBL510024; NSC741459; NSC-741459; (11aS)-8-(3-[(11aS)-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxypropoxy)-2,2-difluoro-7-methoxy-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741459	.	.	.	.	604.5	C29H28F4N4O6	102	1040	2.9	43	0	12	8	"InChI=1S/C29H28F4N4O6/c1-40-22-6-18-20(34-12-16-10-28(30,31)14-36(16)26(18)38)8-24(22)42-4-3-5-43-25-9-21-19(7-23(25)41-2)27(39)37-15-29(32,33)11-17(37)13-35-21/h6-9,12-13,16-17H,3-5,10-11,14-15H2,1-2H3/t16-,17-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CC(C[C@H]3C=N2)(F)F)OCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CC(CN6C5=O)(F)F)OC	HWXGXRCAHRQTKR-IRXDYDNUSA-N
DG66470	10-(6'-Ubiquinolyl)decyltriphenylphosphonium	24783759	"336184-91-9; SCHEMBL362966; CHEMBL1223781; NSC745025; NSC-745025; 10-(6'-ubiquinolyl)decyltriphenylphosphonium; J-690299; (10-(4,5-Dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl)triphenylphosphonium bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745025	.	.	.	.	663.6	C37H44BrO4P	52.6	886	.	43	0	5	16	"InChI=1S/C37H44O4P.BrH/c1-29-33(35(39)37(41-3)36(40-2)34(29)38)27-19-8-6-4-5-7-9-20-28-42(30-21-13-10-14-22-30,31-23-15-11-16-24-31)32-25-17-12-18-26-32;/h10-18,21-26H,4-9,19-20,27-28H2,1-3H3;1H/q+1;/p-1"	CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]	DMRUQISFVFDWGE-UHFFFAOYSA-M
DG66471	Bms-754807	24785538	"BMS-754807; 1001350-96-4; BMS 754807; BMS754807; UNII-W9E3353E8J; CHEMBL575448; namide; CHEBI:88339; W9E3353E8J; (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide; (S)-1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide; 1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-prolinamide; (S)-1-(4-((5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO)PYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)-N-(6-FLUOROPYRIDIN-3-YL)-2-METHYLPYRROLIDINE-2-CARBOXAMIDE.; 2-Pyrrolidinecarboxamide, 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-2-methyl-, (2S)-;2-Pyrrolidinecarboxamide, 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-2-methyl-, (2S)-; (2S)-1-[4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoro-3-pyridyl)-2-methyl-pyrrolidine-2-car boxamide; MLS006011175; C23H24FN9O; GTPL7952; SCHEMBL1810808; AOB1968; EX-A711; BDBM107000; HMS3740K13; BCP01926; 2280AH; BDBM50299148; MFCD18633202; NSC758243; NSC799364; s1124; ZINC43203317; AKOS015949394; BCP9000431; CCG-269352; CS-0608; DB15399; NSC-758243; NSC-799364; SB21702; NCGC00346453-01; NCGC00346453-03; AC-28421; AS-16697; HY-10200; QC-11814; SMR004702944; BMS-754807, >=98% (HPLC); US8592579, 104; J-501009; W-204348; BRD-K13049116-001-02-4; BRD-K13049116-001-05-7; Q27075369; BMS-754807,CAS:1001350-96-4; (2S)-1-[4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-2-methyl-2-pyrrolidinecarboxamide; (S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrrolo[1,2-f][1,2,4]triazin-2-yl)-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide; 1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-proli; 1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-prolinamide; 2-Pyrrolidinecarboxamide, 1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo(2,1-f)(1,2,4)triazin-2-yl)-N-(6-fluoro-3-pyridinyl)-2- methyl-, (2S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758243	.	.	.	.	461.5	C23H24FN9O	116	756	2.9	34	3	8	6	"InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1"	C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	LQVXSNNAFNGRAH-QHCPKHFHSA-N
DG66475	Marinopyrrole A	24797083	"Marinopyrrole A; Maritoclax; 1227962-62-0; (-)-marinopyrrole A; 1010732-14-5; (-)-Maritoclax; CHEBI:66678; Marinopyrrole A (Maritoclax); CHEMBL3393621; (4,4',5,5'-tetrachloro-1'H-[1,3'-bipyrrole]-2,2'-diyl)bis((2-hydroxyphenyl)methanone); [4,5-dichloro-1-[4,5-dichloro-2-(2-hydroxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]-(2-hydroxyphenyl)methanone; (4,4',5,5'-tetrachloro-1'H-1,3'-bipyrrole-2,2'-diyl)bis[(2-hydroxyphenyl)methanone]; Marinopyrrole AMarinopyrrole A; SCHEMBL12320854; EX-A4638; BDBM50266967; NSC775790; NSC781008; s7126; ZINC43207346; AKOS025293495; CCG-269775; CS-1973; NSC-775790; NSC-781008; BS-14779; HY-15613; B1080; D83655; A906630; Q27135298; Maritoclax; ( inverted exclamation markA)-Marinopyrrole; 1,1'-(4,4',5,5'-Tetrachloro[1,3'-bi-1H-pyrrole]-2,2'-diyl)bis[1-2-hydroxyphenyl)methanone; Methanone, 1,1'-(4,4',5,5'-tetrachloro[1,3'-bi-1H-pyrrole]-2,2'-diyl)bis[1-(2-hydroxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781008	.	.	.	.	510.1	C22H12Cl4N2O4	95.3	715	8	32	3	4	5	"InChI=1S/C22H12Cl4N2O4/c23-12-9-13(19(31)10-5-1-3-7-14(10)29)28(22(12)26)18-16(24)21(25)27-17(18)20(32)11-6-2-4-8-15(11)30/h1-9,27,29-30H"	C1=CC=C(C(=C1)C(=O)C2=CC(=C(N2C3=C(NC(=C3Cl)Cl)C(=O)C4=CC=CC=C4O)Cl)Cl)O	QYPJBTMRYKRTFG-UHFFFAOYSA-N
DG66476	Delanzomib	24800541	"Delanzomib; 847499-27-8; CEP-18770; Delanzomib (CEP-18770); CEP 18770; ((R)-1-((2S,3R)-3-Hydroxy-2-(6-phenylpicolinamido)butanamido)-3-methylbutyl)boronic acid; UNII-6IF28942WO; CT-47098; NPH007098; NPH 007098; CHEMBL270515; 6IF28942WO; CEP18770; [(1R)-1-[(2S,3R)-3-hydroxy-2-[(6-phenylpyridin-2-yl)formamido]butanamido]-3-methylbutyl]boronic acid; [(1R)-1-[[(2S,3R)-3-Hydroxy-2-[[(6-phenylpyridin-2-yl)carbonyl]amino]-1-oxobutyl]amino]-3-methylbutyl]boronic acid; [(1R)-1-[[(2S,3R)-3-Hydroxy-2-[[(6-phenylpyridin-2-yl)carbonyl]amino]-1-oxobutyl]amino]-3-methylbutyl]boronic acid.; Boronic acid, ((1R)-1-(((2S,3R)-3-hydroxy-1-oxo-2-(((6-phenyl-2-pyridinyl)carbonyl)amino)butyl)amino)-3-methylbutyl)-; Delanzomib [USAN:INN]; delanzomibum; ((1R)-1-(((2s,3r)-3-hydroxy-2-(((6-phenylpyridin-2-yl)carbonyl)amino)-1-oxobutyl)amino)-3-methylbutyl)boronic acid; Delanzomib (USAN); CEP-18770; Delanzomib; Delanzomib (CEP18770); SCHEMBL555047; C21H28BN3O5; CHEBI:141530; AMY21646; AOB87155; EX-A2040; XIB49927; 2309AH; BDBM50329819; CIP 18770; CIP-18770; NSC764334; AKOS022185107; ZINC169748228; CS-1624; DB11956; NPH-007098; NSC-764334; NCGC00346469-01; NCGC00346469-05; NCGC00346469-08; AC-24847; CT 47098; HY-10454; D10110; J-500001; Q27264956; (R)-1-((2S,3R)-3-hydroxy-2-(6-phenylpicolinamido)butanamido)-3-methylbutylboronic acid; [(1R)-3-methyl-1-({N-[(6-phenylpyridin-2-yl)carbonyl]-L-threonyl}amino)butyl]boronic acid; [(1R)-1-[[(2S,3R)-3-hydroxy-1-oxo-2-[[oxo-(6-phenyl-2-pyridyl)methyl]amino]butyl]amino]-3-methylbutyl]boronic acid; [(1R)-1-[[(2S,3R)-3-hydroxy-2-[(6-phenylpyridin-2-yl)carbonylamino]butanoyl]amino]-3-methyl-butyl]boronic acid; [(1R)-1-[[(2S,3R)-3-hydroxy-2-[(6-phenylpyridine-2-carbonyl)amino]-1-oxobutyl]amino]-3-methylbutyl]boronic acid; [(1R)-1-[[(2S,3R)-3-hydroxy-2-[(6-phenylpyridine-2-carbonyl)amino]butanoyl]amino]-3-methylbutyl]boronic acid; CEP-18770; ; ; [(1R)-1-[[(2S,3R)-3-Hydroxy-2-[(6-phenylpyridine-2-carbonyl)amino]butanoyl]amino]-3-methylbutyl]boronic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764334	.	.	.	.	413.3	C21H28BN3O5	132	557	.	30	5	6	9	"InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1"	B([C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)C1=CC=CC(=N1)C2=CC=CC=C2)(O)O	SJFBTAPEPRWNKH-CCKFTAQKSA-N
DG66477	"7-O,8-O-Isopropylidene Iriomoteolide 3a"	24808220	"NSC753164; NSC-753164; 7-O,8-O-Isopropylidene Iriomoteolide 3a"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753164	.	.	.	.	474.6	C28H42O6	77.5	782	4.7	34	1	6	6	"InChI=1S/C28H42O6/c1-6-7-8-9-11-19(2)16-21(29)25-18-26-22(31-26)14-15-24-23(33-28(4,5)34-24)13-10-12-20(3)17-27(30)32-25/h6-7,9-11,13-15,19-26,29H,8,12,16-18H2,1-5H3/b7-6+,11-9+,13-10+,15-14+/t19-,20-,21-,22-,23-,24-,25-,26-/m0/s1"	C/C=C/C/C=C/[C@H](C)C[C@@H]([C@@H]1C[C@H]2[C@@H](O2)/C=C/[C@H]3[C@H](/C=C/C[C@@H](CC(=O)O1)C)OC(O3)(C)C)O	OMPWONMEHUFMDA-QWUKNQAUSA-N
DG66478	"4-(4-Methoxyphenyl)-2-(2,3,5-trichlorophenyl)-1,3-thiazole"	24814781	CHEMBL499704; NSC742840; NSC-742840	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742840	.	.	.	.	370.7	C16H10Cl3NOS	50.4	367	6.1	22	0	3	3	"InChI=1S/C16H10Cl3NOS/c1-21-11-4-2-9(3-5-11)14-8-22-16(20-14)12-6-10(17)7-13(18)15(12)19/h2-8H,1H3"	COC1=CC=C(C=C1)C2=CSC(=N2)C3=C(C(=CC(=C3)Cl)Cl)Cl	DEUXBTXGUQIKFE-UHFFFAOYSA-N
DG66479	"4-Pyridin-3-yl-2-(2,3,5-trichlorophenyl)-1,3-thiazole"	24814783	CHEMBL457681; NSC742842; NSC-742842	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742842	.	.	.	.	341.6	C14H7Cl3N2S	54	334	5.1	20	0	3	2	InChI=1S/C14H7Cl3N2S/c15-9-4-10(13(17)11(16)5-9)14-19-12(7-20-14)8-2-1-3-18-6-8/h1-7H	C1=CC(=CN=C1)C2=CSC(=N2)C3=C(C(=CC(=C3)Cl)Cl)Cl	LFISOAAWJLTVQZ-UHFFFAOYSA-N
DG66480	Livalo	24848419	"Pitavastatin calcium; Livalo; 147511-69-1; (3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate; pitavastatin cation; pitavastatin(1-); 147526-32-7; CHEBI:71260; BDBM50371229; NSC779706; NSC-779706; NCGC00164566-08; NCGC00386154-01; AB01274731-01; A808653; (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate; (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-3,5-dihydroxy-hept-6-enoate;Pitavastatin"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	779706	.	.	.	.	420.5	C25H23FNO4-	93.5	626	4.2	31	2	6	7	"InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/p-1/b12-11+/t18-,19-/m1/s1"	C1CC1C2=NC3=CC=CC=C3C(=C2/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C4=CC=C(C=C4)F	VGYFMXBACGZSIL-MCBHFWOFSA-M
DG66481	Lyn-IN-1	24853523	"887650-05-7; Lyn-IN-1; Bafetinib (INNO-406); N-[3-([5,5'-Bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzamide; 4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(5-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide; (S)-N-(3-(5,5'-bipyrimidin-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide; isomer of bafetinib; (S)-N-(3-(5,5'-Bipyrimidin-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)-pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide; Bafetinib analogBafetinib analog; SCHEMBL14698142; QCR-131; BCPP000355; (S)-N-(3-([5,5'-Bipyrimidin]-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide; BCP01377; EX-A2862; NSC773263; ZINC70471841; AKOS005145758; BCP9000374; BCP9000375; CS-0191; NSC-773263; NCGC00346514-01; AC-26967; AS-75179; HY-12039; SW220217-1; X2632; 650B057; Q-101401; Benzamide,N-[3-([5,5'-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773263	.	.	.	.	576.6	C30H31F3N8O	99.2	864	4.1	42	2	11	8	"InChI=1S/C30H31F3N8O/c1-19-4-7-24(11-27(19)39-29-36-14-23(15-37-29)22-12-34-18-35-13-22)38-28(42)20-5-6-21(26(10-20)30(31,32)33)16-41-9-8-25(17-41)40(2)3/h4-7,10-15,18,25H,8-9,16-17H2,1-3H3,(H,38,42)(H,36,37,39)/t25-/m0/s1"	CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CC[C@@H](C3)N(C)C)C(F)(F)F)NC4=NC=C(C=N4)C5=CN=CN=C5	ZOPBZHLJXQAQON-VWLOTQADSA-N
DG66482	N-(4-(3-(2-aminopyrimidin-4-yl)pyridin-2-yloxy)phenyl)-4-(4-methylthiophen-2-yl)phthalazin-1-amine	24856041	AMG-900; AMG 900; 945595-80-2; AMG900; N-(4-(3-(2-aminopyrimidin-4-yl)pyridin-2-yloxy)phenyl)-4-(4-methylthiophen-2-yl)phthalazin-1-amine; UNII-9R2G075611; N-(4-((3-(2-aminopyrimidin-4-yl)pyridin-2-yl)oxy)phenyl)-4-(4-methylthiophen-2-yl)phthalazin-1-amine; N-[4-[3-(2-aminopyrimidin-4-yl)pyridin-2-yl]oxyphenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine; 9R2G075611; N-(4-((3-(2-aminopyrimidin-4-yl)pyridin-2-yl)oxy)phenyl)-4-(4-methylthiophen-2-yl)phthalazin-1-amine.; ZINC43208325; MLS006011192; SCHEMBL503564; C28H21N7OS; GTPL8060; CHEMBL2140408; DTXSID90241526; HMS3656H17; BCP02552; EX-A1793; BDBM50466803; NSC761069; NSC799331; s2719; AKOS027276402; ACN-046180; BCP9000292; CCG-264985; CS-0485; NSC-761069; NSC-799331; QC-9197; SB16661; NCGC00263094-01; NCGC00263094-06; BS-17914; HY-13253; N-(4-((3-(2-amino-4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)-4-(4-methyl-2-thienyl)-1-phthalazinamine; N-(4-(3-(2-aminopyrimidin-4-yl)pyridin-2-yloxy)phenyl)-4-(4-methylthiophen- 2-yl)phthalazin-1-amine; SMR004702961; SW219731-1; X7461; J-523022; Q27074442; {4-[3-(2-Amino-pyrimidin-4-yl)-pyridin-2-yloxy]-phenyl}-[4-(4-methyl-thiophen-2-yl)-phthalazin-1-yl]-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761069	.	.	.	.	503.6	C28H21N7OS	140	725	5.1	37	2	9	6	"InChI=1S/C28H21N7OS/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23/h2-16H,1H3,(H,32,35)(H2,29,31,33)"	CC1=CSC(=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC5=C(C=CC=N5)C6=NC(=NC=C6)N	IVUGFMLRJOCGAS-UHFFFAOYSA-N
DG66484	"6-Nitro-2-(3-chloropropyl)-1h-benz[de]isoquinoline-1,3-dione"	24857311	"NSC767838; NSC-767838; 6-nitro-2-(3-chloropropyl)-1h-benz[de]isoquinoline-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767838	.	.	.	.	318.71	C15H11ClN2O4	83.2	492	2.9	22	0	4	3	"InChI=1S/C15H11ClN2O4/c16-7-2-8-17-14(19)10-4-1-3-9-12(18(21)22)6-5-11(13(9)10)15(17)20/h1,3-6H,2,7-8H2"	C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCCCl)[N+](=O)[O-]	LLJBMNWXSOWIFM-UHFFFAOYSA-N
DG66485	"N,N-Diethyl-6H-5,6,7-triaza-13-thiapentacene-6-ethaneamine"	24858011	"CHEMBL1938595; NSC744656; NSC-744656; 6-(diethylaminoethyl)diquino-1,4-thiazine; N,N-Diethyl-6H-5,6,7-triaza-13-thiapentacene-6-ethaneamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744656	.	.	.	.	400.5	C24H24N4S	57.6	503	5.2	29	0	5	5	"InChI=1S/C24H24N4S/c1-3-27(4-2)13-14-28-23-21(15-17-9-5-7-11-19(17)25-23)29-22-16-18-10-6-8-12-20(18)26-24(22)28/h5-12,15-16H,3-4,13-14H2,1-2H3"	CCN(CC)CCN1C2=NC3=CC=CC=C3C=C2SC4=CC5=CC=CC=C5N=C41	XDKDBQZAQPTXME-UHFFFAOYSA-N
DG66486	N-(4-((2-amino-6-methylpyrimidin-4-yl)amino)phenyl)-4-(quinolin-4-ylamino)benzamide	24858111	"SGI-1027; 1020149-73-8; N-(4-((2-amino-6-methylpyrimidin-4-yl)amino)phenyl)-4-(quinolin-4-ylamino)benzamide; SGI 1027; DNA Methyltransferase Inhibitor II; SGI1027; N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-(quinolin-4-ylamino)benzamide; CHEMBL2336409; N-[4-[(2-Amino-6-methyl-4-pyrimidinyl)amino]phenyl]-4-(4-quinolinylamino)benzamide; GTPL8891; SCHEMBL3655385; C27H23N7O; AOB6458; HMS3653O06; HMS3748A21; BCP09928; EX-A2160; VQB14973; BDBM50430056; FD5030; MFCD27937047; NSC783333; s7276; ZINC95591603; AKOS024458519; CCG-269354; NSC-783333; SB19043; Benzamide, N-[4-[(2-amino-6-methyl-4-pyrimidinyl)amino]phenyl]-4-(4-quinolinylamino)-; NCGC00381561-65; AC-33115; AS-74078; DA-48337; HY-13962; FT-0755513; SGI-1027, >=98% (HPLC); SW220204-1; Y1873; A14120; A857823; J-000537; Q27088794; N-{4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl}-4-[(quinolin-4-yl)amino]benzamide; 1020086-21-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783333	.	.	.	.	461.5	C27H23N7O	118	676	4.8	35	4	7	6	"InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)32-20-10-12-21(13-11-20)33-26(35)18-6-8-19(9-7-18)31-24-14-15-29-23-5-3-2-4-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)"	CC1=CC(=NC(=N1)N)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=CC=NC5=CC=CC=C54	QSYLKMKIVWJAAK-UHFFFAOYSA-N
DG66487	"1-[2-(6H-5,6,7-Triaza-13-thiapentacene-6-yl)ethyl]-3-(2-chloroethyl)urea"	24858160	"CHEMBL1938594; NSC744659; NSC-744659; 6-(chloroethylureidoethyl)diquino-1,4-thiazine; 1-[2-(6H-5,6,7-Triaza-13-thiapentacene-6-yl)ethyl]-3-(2-chloroethyl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744659	.	.	.	.	450	C23H20ClN5OS	95.4	589	4.1	31	2	5	5	"InChI=1S/C23H20ClN5OS/c24-9-10-25-23(30)26-11-12-29-21-19(13-15-5-1-3-7-17(15)27-21)31-20-14-16-6-2-4-8-18(16)28-22(20)29/h1-8,13-14H,9-12H2,(H2,25,26,30)"	C1=CC=C2C(=C1)C=C3C(=N2)N(C4=NC5=CC=CC=C5C=C4S3)CCNC(=O)NCCCl	UHFHGUCGIVHXGO-UHFFFAOYSA-N
DG66488	"N-[2-(6H-5,6,7-Triaza-13-thiapentacene-6-yl)ethyl]-4-methylbenzenesulfonamide"	24858161	"CHEMBL4173722; NSC744658; NSC-744658; 6-(p-toluenesulfonylaminoethyl)diquino-1,4-thiazine; N-[2-(6H-5,6,7-Triaza-13-thiapentacene-6-yl)ethyl]-4-methylbenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744658	.	.	.	.	498.6	C27H22N4O2S2	109	790	5.4	35	1	7	5	"InChI=1S/C27H22N4O2S2/c1-18-10-12-21(13-11-18)35(32,33)28-14-15-31-26-24(16-19-6-2-4-8-22(19)29-26)34-25-17-20-7-3-5-9-23(20)30-27(25)31/h2-13,16-17,28H,14-15H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)NCCN2C3=NC4=CC=CC=C4C=C3SC5=CC6=CC=CC=C6N=C52	HMIROELUYZRDFH-UHFFFAOYSA-N
DG66489	NSC744023	24863867	"(11aS)-8-(3-{4-[(E)-3-(2-hydroxyphenyl)-3-oxo-1-propenyl]-2-methoxyphenoxy}propoxy)-7-methoxy-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one; CHEMBL256443; NSC744023; NSC-744023; (11aS)-8-(3-{4-[(E)-3-(2-hydroxyphenyl)-3-oxo-1-propenyl]-2-methoxyphenoxy}propoxy)-7-methoxy-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744023	.	.	.	.	556.6	C32H32N2O7	107	941	5	41	1	8	11	"InChI=1S/C32H32N2O7/c1-38-29-17-21(10-12-27(36)23-8-3-4-9-26(23)35)11-13-28(29)40-15-6-16-41-31-19-25-24(18-30(31)39-2)32(37)34-14-5-7-22(34)20-33-25/h3-4,8-13,17-20,22,35H,5-7,14-16H2,1-2H3/b12-10+/t22-/m0/s1"	COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=CC=C2O)OCCCOC3=C(C=C4C(=C3)N=C[C@@H]5CCCN5C4=O)OC	IFVRGFMZYKIFQI-YUAYGMJFSA-N
DG66491	salarin C	24867082	salarin C; SCHEMBL13020051; NSC750154; NSC-750154	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750154	.	.	.	.	654.7	C35H46N2O10	159	1210	5.8	47	1	11	14	"InChI=1S/C35H46N2O10/c1-5-6-7-8-9-16-29(39)42-20-13-12-15-26-31(44-26)33-34(47-35(41)36-24(4)38)32-27(45-32)19-18-22(2)21-28-37-25(23(3)43-28)14-10-11-17-30(40)46-33/h10-12,14-15,17,21,26-27,31-34H,5-9,13,16,18-20H2,1-4H3,(H,36,38,41)/b14-10+,15-12+,17-11-,22-21-"	CCCCCCCC(=O)OCC/C=C/C1C(O1)C2C(C3C(O3)CC/C(=C\\C4=NC(=C(O4)C)/C=C/C=C\\C(=O)O2)/C)OC(=O)NC(=O)C	KHGGKINOQOIBEV-PRBAJBALSA-N
DG66492	"6-(4-chlorophenyl)-3-(2,3,5-trichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	24874046	CHEMBL460246; NSC742071; NSC-742071	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742071	.	.	.	.	430.1	C16H8Cl4N4S	68.4	516	6.1	25	0	4	2	"InChI=1S/C16H8Cl4N4S/c17-9-3-1-8(2-4-9)13-7-25-16-22-21-15(24(16)23-13)11-5-10(18)6-12(19)14(11)20/h1-6H,7H2"	C1C(=NN2C(=NN=C2S1)C3=C(C(=CC(=C3)Cl)Cl)Cl)C4=CC=C(C=C4)Cl	JIZBGZCJZLYXDK-UHFFFAOYSA-N
DG66493	"6-(4-methoxyphenyl)-3-(2,3,5-trichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	24874170	CHEMBL460245; NSC742066; NSC-742066	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742066	.	.	.	.	425.7	C17H11Cl3N4OS	77.6	534	5.4	26	0	5	3	"InChI=1S/C17H11Cl3N4OS/c1-25-11-4-2-9(3-5-11)14-8-26-17-22-21-16(24(17)23-14)12-6-10(18)7-13(19)15(12)20/h2-7H,8H2,1H3"	COC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2)C4=C(C(=CC(=C4)Cl)Cl)Cl	BWBLDIOPJDXGHY-UHFFFAOYSA-N
DG66494	"(2Z,4Z)-N-[3-(1-Oxo-8-hydroxy-3,4-dihydro-1H-2-benzopyran-3-yl)-1-propenyl]-2,4-heptadieneamide"	24878848	"CHEMBL513350; NSC743513; NSC-743513; (2Z,4Z)-N-[3-(1-Oxo-8-hydroxy-3,4-dihydro-1H-2-benzopyran-3-yl)-1-propenyl]-2,4-heptadieneamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743513	.	.	.	.	327.4	C19H21NO4	75.6	524	3.9	24	2	4	6	"InChI=1S/C19H21NO4/c1-2-3-4-5-11-17(22)20-12-7-9-15-13-14-8-6-10-16(21)18(14)19(23)24-15/h3-8,10-12,15,21H,2,9,13H2,1H3,(H,20,22)/b4-3-,11-5-,12-7+"	CC/C=C\\C=C/C(=O)N/C=C/CC1CC2=C(C(=CC=C2)O)C(=O)O1	FXLGTMRGILDRQI-UYSGNFFCSA-N
DG66495	NSC742296	24881122	"(6aS)-3-[5-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]pentoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one; SCHEMBL1345433; CHEMBL1171057; NSC742296; NSC-742296"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742296	.	.	.	.	571.7	C32H33N3O5S	111	893	5.9	41	0	8	11	"InChI=1S/C32H33N3O5S/c1-37-27-17-21(31-34-24-10-4-5-11-30(24)41-31)12-13-26(27)39-15-6-3-7-16-40-29-19-25-23(18-28(29)38-2)32(36)35-14-8-9-22(35)20-33-25/h4-5,10-13,17-20,22H,3,6-9,14-16H2,1-2H3/t22-/m0/s1"	COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OCCCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC	IHGYHLCXETVDTK-QFIPXVFZSA-N
DG66496	"2-(5-chloro-2-methyl-anilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide"	24882415	"CHEMBL404361; NSC740051; NSC-740051; 2-(5-chloro-2-methyl-anilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740051	.	.	.	.	495.9	C23H21ClF3N3O4	81.7	660	5.9	34	2	9	7	"InChI=1S/C23H21ClF3N3O4/c1-12-5-6-13(24)9-16(12)29-21-15(7-8-19(30-21)23(25,26)27)22(31)28-14-10-17(32-2)20(34-4)18(11-14)33-3/h5-11H,1-4H3,(H,28,31)(H,29,30)"	CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NC3=CC(=C(C(=C3)OC)OC)OC	PATVTQBKZZSIBN-UHFFFAOYSA-N
DG66497	"3-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-thione"	24882588	CHEMBL252471; NSC740128; NSC-740128	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740128	.	.	.	.	402.5	C20H22N2O5S	93.5	561	3	28	1	6	7	"InChI=1S/C20H22N2O5S/c1-23-15-7-6-13(10-16(15)24-2)22-11-14(21-20(22)28)12-8-17(25-3)19(27-5)18(9-12)26-4/h6-11H,1-5H3,(H,21,28)"	COC1=C(C=C(C=C1)N2C=C(NC2=S)C3=CC(=C(C(=C3)OC)OC)OC)OC	VXORSSUWWJBYLE-UHFFFAOYSA-N
DG66498	3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]benzamide	24896610	"GW782612X; 3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]benzamide; 3-{[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino}benzamide; CHEMBL251549; SCHEMBL1172536; 2,4-dianilino pyrimidine, 36; BDBM26179; HMS3303M24; HMS3305J04; NSC756345; NSC-756345; NCGC00242231-01; 916436-35-6; AB01092271-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756345	.	.	.	.	345.4	C18H15N7O	122	490	2.5	26	4	6	5	"InChI=1S/C18H15N7O/c19-17(26)11-3-1-4-12(9-11)22-18-20-8-7-16(24-18)23-14-5-2-6-15-13(14)10-21-25-15/h1-10H,(H2,19,26)(H,21,25)(H2,20,22,23,24)"	C1=CC(=CC(=C1)NC2=NC=CC(=N2)NC3=CC=CC4=C3C=NN4)C(=O)N	NQHLFCVNEBJHOT-UHFFFAOYSA-N
DG66499	"2alpha,3-Bis(4-fluorophenyl)-5beta-(ethylthiomethyl)tetrahydrofuran-3alpha-ol"	24901217	"NSC743047; NSC-743047; 2alpha,3-Bis(4-fluorophenyl)-5beta-(ethylthiomethyl)tetrahydrofuran-3alpha-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743047	.	.	.	.	350.4	C19H20F2O2S	54.8	395	3.7	24	1	5	5	"InChI=1S/C19H20F2O2S/c1-2-24-12-17-11-19(22,14-5-9-16(21)10-6-14)18(23-17)13-3-7-15(20)8-4-13/h3-10,17-18,22H,2,11-12H2,1H3/t17-,18+,19-/m0/s1"	CCSC[C@@H]1C[C@@]([C@H](O1)C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O	KSWBTGHFYZZVQQ-OTWHNJEPSA-N
DG66500	(S)-1-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-1-(4-chlorophenyl)ethanol	24905401	"1056901-62-2; AT13148; AT-13148; UNII-A49037RP1E; (S)-1-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-1-(4-chlorophenyl)ethanol; (1S)-2-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]ethanol; A49037RP1E; SCHEMBL851471; CHEMBL3544960; BCP08961; EX-A1797; 2231AH; BDBM50242733; MFCD25976789; NSC771650; NSC799337; s7563; ZINC95920747; (+)-(S)-2-Amino-1-(4-chlorophenyl)-1-(4-(1H-pyrazol-4-yl)phenyl)ethanol; CCG-267617; CS-3136; NSC-771650; NSC-799337; SB16880; Benzenemethanol, alpha-(aminomethyl)-alpha-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)-, (alphaS)-; NCGC00386423-03; AC-32943; AS-35164; AT 13148; HY-16071; A895961; Q27273616; (S)-1-(4-(1H-pyrazol-4-yl)phenyl)-2-amino-1-(4-chlorophenyl)ethan-1-ol; (s)-2-amino-1-(4-chloro-phenyl)-1-[4-(1h-pyrazol-4-yl)-phenyl]-ethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771650	.	.	.	.	313.8	C17H16ClN3O	74.9	354	2.2	22	3	3	4	"InChI=1S/C17H16ClN3O/c18-16-7-5-15(6-8-16)17(22,11-19)14-3-1-12(2-4-14)13-9-20-21-10-13/h1-10,22H,11,19H2,(H,20,21)/t17-/m0/s1"	C1=CC(=CC=C1C2=CNN=C2)[C@@](CN)(C3=CC=C(C=C3)Cl)O	IIRWNGPLJQXWFJ-KRWDZBQOSA-N
DG66501	"2-[(2S,4S)-4-hydroxy-4-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-oxooxolan-2-yl]acetonitrile"	24936179	CHEMBL252640; NSC743898; NSC-743898	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743898	.	.	.	.	410.4	C21H18N2O5S	118	792	2.5	29	1	6	4	"InChI=1S/C21H18N2O5S/c1-14-6-8-16(9-7-14)29(26,27)23-13-18(17-4-2-3-5-19(17)23)21(25)12-15(10-11-22)28-20(21)24/h2-9,13,15,25H,10,12H2,1H3/t15-,21-/m0/s1"	CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)[C@]4(C[C@@H](OC4=O)CC#N)O	PCCOPHVIKANNGU-BTYIYWSLSA-N
DG66502	"[(2R,4S)-4-hydroxy-4-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-oxooxolan-2-yl]methyl thiocyanate"	24936180	CHEMBL401947; NSC743897; NSC-743897	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743897	.	.	.	.	442.5	C21H18N2O5S2	143	811	3.5	30	1	7	5	"InChI=1S/C21H18N2O5S2/c1-14-6-8-16(9-7-14)30(26,27)23-11-18(17-4-2-3-5-19(17)23)21(25)10-15(12-29-13-22)28-20(21)24/h2-9,11,15,25H,10,12H2,1H3/t15-,21+/m1/s1"	CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)[C@]4(C[C@@H](OC4=O)CSC#N)O	MGBUCTJSPXJVHS-VFNWGFHPSA-N
DG66503	"1-(4-Fluorophenyl)-3-[5-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]-4-methyl-1,3-thiazol-2-yl]thiourea"	24936201	NSC745923; NSC-745923	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745923	.	.	.	.	478.6	C19H16F2N6OS3	183	644	4.2	31	5	7	4	"InChI=1S/C19H16F2N6OS3/c1-10-15(16(28)26-27-18(30)24-14-8-4-12(21)5-9-14)31-19(22-10)25-17(29)23-13-6-2-11(20)3-7-13/h2-9H,1H3,(H,26,28)(H2,24,27,30)(H2,22,23,25,29)"	CC1=C(SC(=N1)NC(=S)NC2=CC=C(C=C2)F)C(=O)NNC(=S)NC3=CC=C(C=C3)F	VFPJVNNQXFEJQZ-UHFFFAOYSA-N
DG66504	"N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-[2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethylamino]ethyl]propanamide"	24961094	"AZ505; 1035227-43-0; AZ-505; AZ 505; CHEMBL2169920; N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-[2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethylamino]ethyl]propanamide; N-Cyclohexyl-N~3~-[2-(3,4-Dichlorophenyl)ethyl]-N-(2-{[2-(5-Hydroxy-3-Oxo-3,4-Dihydro-2h-1,4-Benzoxazin-8-Yl)ethyl]amino}ethyl)-Beta-Alaninamide; AZ505 free base; GTPL7021; SCHEMBL3598040; BCP20970; EX-A2380; AZ505;AZ 505; BDBM50396022; NSC780404; ZINC72316825; CS-1735; NSC-780404; HY-15226; B1255; J3.616.679G; C14051; Q27074673; N-cyclohexyl-3-((3,4-dichlorophenethyl)amino)-N-(2-((2-(5-hydroxy-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)ethyl)amino)ethyl)propanamide; NH5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780404	.	.	.	.	577.5	C29H38Cl2N4O4	103	772	4.4	39	4	6	13	"InChI=1S/C29H38Cl2N4O4/c30-23-8-6-20(18-24(23)31)10-13-32-15-12-27(38)35(22-4-2-1-3-5-22)17-16-33-14-11-21-7-9-25(36)28-29(21)39-19-26(37)34-28/h6-9,18,22,32-33,36H,1-5,10-17,19H2,(H,34,37)"	C1CCC(CC1)N(CCNCCC2=C3C(=C(C=C2)O)NC(=O)CO3)C(=O)CCNCCC4=CC(=C(C=C4)Cl)Cl	LIBVHXXKHSODII-UHFFFAOYSA-N
DG66507	"[(1S,2S,4R)-4-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxycyclopentyl]methyl sulfamate"	24966999	MLN4924; 905579-51-3; BCP01927; NSC761192; NSC-761192; TAK-924; TAK 924; TAK924;MLN-4924;MLN 4924; Pevonedistat	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761192	.	.	.	.	443.5	C21H25N5O4S	141	734	1.7	31	3	8	6	"InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18 ,19-/m0/s1"	C1CC2=CC=CC=C2C1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	MPUQHZXIXSTTDU-VTLWGUCJSA-N
DG66508	Navitoclax	24978538	"Navitoclax; 923564-51-6; ABT-263; ABT 263; ABT263; ABT-263 (Navitoclax); UNII-XKJ5VVK2WD; Navitoclax (ABT-263); XKJ5VVK2WD; C47H55ClF3N5O6S3; CHEMBL443684; A-855071.0; (R)-4-(4-((4'-Chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((4-((4-morpholino-1-(phenylthio)butan-2-yl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonyl)benzamide; 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(4-morpholinyl)-1-[(phenylthio)methyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]phenyl]sulfonyl]benzamide; 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide; (R)-4-(4-((2-(4-Chlorophenyl)-5,5-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(4-(4-morpholino-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)p; (R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(4-(4-morpholino-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonyl)benzamide; 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-({4-({(1R)-3-morpholin-4-yl-1-[(phenylsulfanyl)methyl]propyl}amino)-3-[(trifluoromethyl)sulfonyl]phenyl}sulfonyl)benzamide; 4-(4-{[2-(4-Chlorophenyl)-5,5-Dimethylcyclohex-1-En-1-Yl]methyl}piperazin-1-Yl)-N-[(4-{[(2r)-4-(Morpholin-4-Yl)-1-(Phenylsulfanyl)butan-2-Yl]amino}-3-[(Trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide; Navitoclax [USAN:INN]; navitoclaxum; ABT-263,Navitoclax; Navitoclax, ABT-263; Navitoclax; ABT-263; Navitoclax (USAN/INN); ABT-263 - Navitoclax; MLS006011021; SCHEMBL522847; GTPL8319; DTXSID2042640; CHEBI:94128; AOB1912; EX-A055; CHEBI:131174; BDBM50270877; MFCD12756219; NSC759659; s1001; AKOS015896297; ZINC150338726; DB12340; NSC-759659; RG-7433; NCGC00188344-01; NCGC00188344-02; NCGC00188344-03; NCGC00188344-05; NCGC00188344-08; 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(4-mo; 4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(1R)-3-morpholino-1-(phenylsulfanylmethyl)propyl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide; AC-31055; AS-16690; HY-10087; SMR004702817; 4-[4-[[2-(4-chlorophenyl)-5,5-dimet; SW218055-2; X7535; D09935; 564A516; J-519525; BRD-K82746043-001-01-1; BRD-K82746043-001-02-9; BRD-K82746043-001-03-7; BRD-K82746043-001-04-5; Q18002993; (R)-4-(4-((4-chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((4-((4-morpholino-1-(phenylthio)butan-2-yl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonyl)benzamide; 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(4-morpholinyl)-1-[(phenylthio)methyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]phenyl]sulfonyl]benzamide;ABT 263;Benzamide, 4-(4-((2-(4-chlorophenyl)-5,5-dime; 4-{4-[(4'-chloro-4,4-dimethyl-3,4,5,6-tetrahydro[biphenyl]-2-yl)methyl]piperazin-1-yl}-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide; ABT-263; ; ; 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide; Benzamide, 4-(4-((2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl)methyl)-1-piperazinyl)-N-((4-(((1R)-3-(4-morpholinyl)-1-((phenylthio)methyl)propyl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonyl)-; N-(4-{4-[2-(4-chlorophenyl)-5,5-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-benzoyl)-4-((r)-3-morpholin-4-yl-1-phenylsulfanylmethyl-propylamino)-3-trifluoromethanesulfonyl-benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759659	.	.	.	.	974.6	C47H55ClF3N5O6S3	170	1800	9.6	65	2	14	16	"InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1"	CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C	JLYAXFNOILIKPP-KXQOOQHDSA-N
DG66509	Fadraciclib	24983461	"CYC065; 1070790-89-4; fadraciclib; CYC-065; Fadraciclib ;  CYC065; UNII-YET2XNU791; YET2XNU791; 1070790-89-4 (free base); (2R,3S)-3-((6-(((4,6-dimethylpyridin-3-yl)methyl)amino)-9-isopropyl-9H-purin-2-yl)amino)pentan-2-ol; (2R,3S)-3-[[6-[(4,6-dimethylpyridin-3-yl)methylamino]-9-propan-2-ylpurin-2-yl]amino]pentan-2-ol; CYC065 free base; CYC-065 free base; CHEMBL3655762; SCHEMBL13300946; GTPL10461; BDBM106950; BCP19571; EX-A2830; NSC806387; CS-7615; DB15425; NSC-806387; AC-31595; BC175840; HY-101212; US8592581, 1; A903453; 2-Pentanol, 3-((6-(((4,6-dimethyl-3-pyridinyl)methyl)amino)-9-(1-methylethyl)-9H-purin-2-yl)amino)-, (2R,3S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	806387	.	.	.	.	397.5	C21H31N7O	101	507	3.3	29	3	7	8	"InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-24-18)12(2)3)23-10-16-9-22-14(5)8-13(16)4/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,23,25,26,27)/t15-,17+/m1/s1"	CC[C@@H]([C@@H](C)O)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CN=C(C=C3C)C	DLPIYBKBHMZCJI-WBVHZDCISA-N
DG66510	"1-(3-Chlorophenyl)-3-{5-[2-(Thieno[3,2-D]pyrimidin-4-Ylamino)ethyl]-1,3-Thiazol-2-Yl}urea"	24995524	"SNS-314; 1057249-41-8; SNS 314; SNS314; UNII-802IFJ0Z8X; N-(3-chlorophenyl)-N'-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-2-thiazolyl]Urea; 802IFJ0Z8X; 1-(3-chlorophenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea; 1-(3-Chlorophenyl)-3-{5-[2-(Thieno[3,2-D]pyrimidin-4-Ylamino)ethyl]-1,3-Thiazol-2-Yl}urea; 1057249-41-8 (free base); C18H15ClN6OS2; 1-(3-chlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea; N-(3-Chlorophenyl)-N'-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-2-thiazolyl]urea.; SN-314; Kinome_3712; CHEMBL482767; GTPL9397; SCHEMBL3415843; BDBM26326; CHEBI:94720; AOB4643; DTXSID20147269; EX-A181; SYN1081; HMS3244O17; HMS3244O18; HMS3244P17; AMY24207; BCP01773; 4053AH; NSC758250; NSC800886; s8699; ZINC40393428; CCG-269017; DB06134; DB07361; NSC-758250; NSC-800886; SB16660; compound 21 [PMID: 18678489]; NCGC00242482-01; NCGC00242482-11; AK2; AS-16236; DB-059388; FT-0717912; 249C418; J-503125; BRD-K71512533-001-01-7; Q27096584; Urea, N-(3-chlorophenyl)-N'-(5-(2-(thieno(3,2-d)pyrimidin-4-ylamino)ethyl)-2-thiazolyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758250	.	.	.	.	430.9	C18H15ClN6OS2	148	532	4.2	28	3	7	6	"InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)"	C1=CC(=CC(=C1)Cl)NC(=O)NC2=NC=C(S2)CCNC3=NC=NC4=C3SC=C4	FAYAUAZLLLJJGH-UHFFFAOYSA-N
DG66511	NSC744022	25008105	"(11aR)-7-methoxy-8-(5-[2-(-1H-2-furyl)-1H-benzo[d]imidazol-1-yl]pentyloxy)-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one; CHEMBL410222; SCHEMBL2289881; NSC744022; NSC-744022; (11aR)-7-methoxy-8-(5-[2-( -1H-2-furyl)-1H-benzo[d]imidazol-1-yl]pentyloxy)-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744022	.	.	.	.	498.6	C29H30N4O4	82.1	811	4.1	37	0	6	9	"InChI=1S/C29H30N4O4/c1-35-26-17-21-23(30-19-20-9-7-14-32(20)29(21)34)18-27(26)37-15-6-2-5-13-33-24-11-4-3-10-22(24)31-28(33)25-12-8-16-36-25/h3-4,8,10-12,16-20H,2,5-7,9,13-15H2,1H3/t20-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OCCCCCN4C5=CC=CC=C5N=C4C6=CC=CO6	CXTGGRMXBGAYHF-FQEVSTJZSA-N
DG66512	2-[4-[5-[4-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole	25010379	"SCHEMBL465463; CHEMBL403651; NSC741910; NSC-741910; 2,5-pentanediylbis(oxy-1,4-phenylene)]bis-1H-benzimidazole; 2,2'-[1,5-pentanediylbis(oxy-1,4-phenylene)]-bis-1H-benzimidazole; 2,2'-[Pentamethylenebis(oxy-p-phenylene)]bis(1H-benzoimidazole); 2-[4-[5-[4-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741910	.	.	.	.	488.6	C31H28N4O2	75.8	622	7.1	37	2	4	10	"InChI=1S/C31H28N4O2/c1(6-20-36-24-16-12-22(13-17-24)30-32-26-8-2-3-9-27(26)33-30)7-21-37-25-18-14-23(15-19-25)31-34-28-10-4-5-11-29(28)35-31/h2-5,8-19H,1,6-7,20-21H2,(H,32,33)(H,34,35)"	C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)OCCCCCOC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5	FVYHAXWUPTYOAP-UHFFFAOYSA-N
DG66513	N1-(9H-9-fluorenyl)-2-amino-4-(benzyloxy)-5-methoxybenzamide	25014686	SCHEMBL1031348; NSC742259; NSC-742259; N1-(9H-9-fluorenyl)-2-amino-4-(benyloxy)-5-methoxy benzamide; N1-(9H-9-fluorenyl)-2-amino-4-(benzyloxy)-5-methoxybenzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742259	.	.	.	.	436.5	C28H24N2O3	73.6	629	5.4	33	2	4	6	"InChI=1S/C28H24N2O3/c1-32-25-15-23(24(29)16-26(25)33-17-18-9-3-2-4-10-18)28(31)30-27-21-13-7-5-11-19(21)20-12-6-8-14-22(20)27/h2-16,27H,17,29H2,1H3,(H,30,31)"	COC1=C(C=C(C(=C1)C(=O)NC2C3=CC=CC=C3C4=CC=CC=C24)N)OCC5=CC=CC=C5	VZROYKLGCSRARF-UHFFFAOYSA-N
DG66514	NSC762154	25015677	"4-[(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide; Ro3280; 1062243-51-9; PharmaGSID_48511; Ro5203280; Ro 3280; 4-((9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide; CHEMBL2392553; 4-[(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide; 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide; 79C; DSSTox_CID_28485; DSSTox_RID_82762; DSSTox_GSID_48511; GTPL9403; SCHEMBL1559146; DTXSID4048511; AOB5394; C27H35F2N7O3; HMS3653O21; Ro-3280; BCP07189; EX-A2150; Tox21_303518; BDBM50435735; NSC762154; s7248; ZINC96271651; AKOS026750574; CCG-269974; compound 7 [PMID: 22172702]; CS-1673; NSC-762154; SB19474; NCGC00257406-01; NCGC00386371-04; Ro-5203280; AS-78052; DA-48061; HY-15161; RO3280, >=98% (HPLC); FT-0744236; SW219316-1; X5810; CAS-1062243-51-9; 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(1-methyl-piperidin-4-yl)-benzamide; 4-(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide; 4-[(9-Cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762154	.	.	.	.	543.6	C27H35F2N7O3	103	868	3.5	39	2	10	6	"InChI=1S/C27H35F2N7O3/c1-34-12-10-18(11-13-34)31-24(37)17-8-9-20(22(14-17)39-3)32-26-30-15-21-23(33-26)36(19-6-4-5-7-19)16-27(28,29)25(38)35(21)2/h8-9,14-15,18-19H,4-7,10-13,16H2,1-3H3,(H,31,37)(H,30,32,33)"	CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC	DJNZZLZKAXGMMC-UHFFFAOYSA-N
DG66515	Anlotinib	25017411	"Anlotinib; 1058156-90-3; catequentinib; AL3818; AL-3818; UNII-GKF8S4C432; GKF8S4C432; AL 3818; 1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine; GTPL9601; SCHEMBL2063386; CHEMBL4303201; BCP24991; EX-A2427; NSC832523; ZINC117924202; CS-5396; DB11885; NSC-832523; SB19798; HY-19716; 4678B; C13643; Q27279141; 1-(((4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-6-methoxyquinolin-7-yl)oxy)methyl)cyclopropan-1-amine; 1-((4-(4-fluoro-2-methyl-1h-indol-5-yloxy)-6-methoxyquinolin-7-yloxy)methyl)cyclopropan-amine; Cyclopropanamine, 1-(((4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-6-methoxy-7-quinolinyl)oxy)methyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	832523	.	.	.	.	407.4	C23H22FN3O3	82.4	606	3.7	30	2	6	6	"InChI=1S/C23H22FN3O3/c1-13-9-15-16(27-13)3-4-19(22(15)24)30-18-5-8-26-17-11-21(20(28-2)10-14(17)18)29-12-23(25)6-7-23/h3-5,8-11,27H,6-7,12,25H2,1-2H3"	CC1=CC2=C(N1)C=CC(=C2F)OC3=C4C=C(C(=CC4=NC=C3)OCC5(CC5)N)OC	KSMZEXLVHXZPEF-UHFFFAOYSA-N
DG66516	Xevinapant	25022340	"1071992-99-8; AT-406; Debio-1143; N65WC8PXDD; SM-406; UNII-N65WC8PXDD; Xevinapant; AT406; (5S,8S,10aR)-N-benzhydryl-5-((S)-2-(methylamino)propanamido)-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide; AT 406; SM 406; CHEMBL2158051; QCR-136; Debio 1143; DeBio-1143 (AT-406); AT-406 (SM-406); 1071992-99-8 (free base); AT-406(AT406); (5S,8S,10aR)-N-(Diphenylmethyl)-5-[(N-methyl-L-alanyl)amino]-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide; (5S,8S,10aR)-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide; AT406 (SM-406); Xevinapant [INN]; Debio1143; Iap inhibitor AT-406; GTPL7729; SCHEMBL2724374; DTXSID50648496; EX-A104; BCP04668; BDBM50393505; MFCD22124467; NSC764757; s2754; ZINC43208643; CCG-270056; CS-0962; NSC-764757; NCGC00346675-01; NCGC00346675-03; AC-30282; AS-56453; HY-15454; Y0357; D 1143; D-1143; AT406 (SM-406, ARRY-334543); J-501625; Q27074566; 1071992-99-8, 1071992-57-8 (HCl); (5S,8S,10aR)-N-(Diphenylmethyl)decahydro-5-(((2S)-2-(methylamino)-1-oxopropyl)amino)-3-(3-methyl-1-oxobutyl)-6-oxopyrrolo(1,2-a)(1,5)diazocine-8-carboxamide; (5S,8S,10aR)-N-(Diphenylmethyl)decahydro-5-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-3-(3-methyl-1-oxobutyl)-6-oxopyrrolo[1,2-a][1,5 ]diazocine-8-carboxamide; (5S,8S,10aR)-N-benzhydryl-5-((S)-2-(methylamino)propanamido)-3-(3-methylbutanoyl)-6-oxo-decahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764757	.	.	.	.	561.7	C32H43N5O4	111	896	3.1	41	3	5	9	"InChI=1S/C32H43N5O4/c1-21(2)19-28(38)36-18-17-25-15-16-27(37(25)32(41)26(20-36)34-30(39)22(3)33-4)31(40)35-29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,21-22,25-27,29,33H,15-20H2,1-4H3,(H,34,39)(H,35,40)/t22-,25+,26-,27-/m0/s1"	C[C@@H](C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)CC(C)C)NC	LSXUTRRVVSPWDZ-MKKUMYSQSA-N
DG66517	"2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(methylamino)ethyl]-1H-imidazo[4,5-c]pyridine-7-carboxamide"	25023715	"GW876790X; CHEMBL506153; SCHEMBL4715674; BDBM24990; oxadiazole-containing compound, 2; HMS3304M01; HMS3305A16; NSC756413; NSC-756413; NCGC00242247-01; AB01092254-01; 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(methylamino)ethyl]-1H-imidazo[4,5-c]pyridine-7-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756413	.	.	.	.	330.35	C14H18N8O2	137	439	-1.3	24	3	8	6	"InChI=1S/C14H18N8O2/c1-3-22-11-8(14(23)18-5-4-16-2)6-17-7-9(11)19-13(22)10-12(15)21-24-20-10/h6-7,16H,3-5H2,1-2H3,(H2,15,21)(H,18,23)"	CCN1C2=C(C=NC=C2C(=O)NCCNC)N=C1C3=NON=C3N	RIIYKHQJSKRYKG-UHFFFAOYSA-N
DG66518	"4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol"	25023730	"GSK554170A; CHEMBL521658; SCHEMBL10053680; BDBM25008; oxadiazole-containing compound, 3b; NSC756176; NSC-756176; NCGC00242100-01; AB01092250-01; 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756176	.	.	.	.	425.5	C21H27N7O3	137	674	0.3	31	3	9	7	"InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-9-23-10-7-13)11-24-14(5-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4,6-7,9-10,12H2,1-3H3,(H2,22,27)"	CCN1C2=C(C(=NC=C2OCC3CCNCC3)C#CC(C)(C)O)N=C1C4=NON=C4N	NTPAYIOIMIUCMN-UHFFFAOYSA-N
DG66519	"4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-yloxy)-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol"	25023734	"GSK619487A; CHEMBL522857; BDBM25012; oxadiazole-containing compound, 3f; NSC756183; NSC-756183; NCGC00242102-01; AB01092253-01; 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-yloxy)-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756183	.	.	.	.	411.5	C20H25N7O3	137	659	0.1	30	3	9	6	"InChI=1S/C20H25N7O3/c1-4-27-17-14(29-12-6-9-22-10-7-12)11-23-13(5-8-20(2,3)28)15(17)24-19(27)16-18(21)26-30-25-16/h11-12,22,28H,4,6-7,9-10H2,1-3H3,(H2,21,26)"	CCN1C2=C(C(=NC=C2OC3CCNCC3)C#CC(C)(C)O)N=C1C4=NON=C4N	OEMAOMXEFJMDSR-UHFFFAOYSA-N
DG66520	"2-((3,5-difluoro-4-hydroxyphenyl)amino)-8-isopentyl-5,7-dimethyl-7,8-dihydropteridin-6(5H)-one"	25023738	"BI-D1870; 501437-28-1; 2-((3,5-difluoro-4-hydroxyphenyl)amino)-8-isopentyl-5,7-dimethyl-7,8-dihydropteridin-6(5H)-one; 2-(3,5-difluoro-4-hydroxyanilino)-5,7-dimethyl-8-(3-methylbutyl)-7H-pteridin-6-one; 2-[(3,5-DIFLUORO-4-HYDROXYPHENYL)AMINO]-7,8-DIHYDRO-5,7-DIMETHYL-8-(3-METHYLBUTYL)-6(5H)-PTERIDINONE; C19H23F2N5O2; 2-((3,5-difluoro-4-hydroxyphenyl)amino)-8-isopentyl-5,7-dimethyl-7,8-dihydropteridin-6(5H)-one.; CHEMBL573107; GTPL8038; SCHEMBL13881333; BDBM25017; BID1870; DTXSID40648506; SYN1020; BCPP000343; HMS3244C11; HMS3244C12; HMS3244D11; HMS3651D17; HMS3674C15; BCP01977; EX-A2471; BI-D-1870; MFCD11223662; NSC747342; s2843; AKOS015918879; BCP9000401; CCG-268540; CS-1243; NSC-747342; SB19282; 2-(3,5-difluoro-4-hydroxyphenylamino)-8-isopentyl-5,7-dimethyl-7,8-dihydropteridin-6(5H)-one; AC-32826; AS-16192; HY-10510; DB-071116; FT-0720677; SW219252-1; X5923; 437D281; J-505744; Q27075243; 2-(3,5-Difluoro-4-hydroxy-phenylamino)-5,7-dimethyl-8-(3-methyl-butyl)-7,8-dihydro-5H-pteridin-6-one; 2-(3,5-Difluoro-4-hydroxyanilino)-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one; 2-(3,5-difluoro-4-hydroxyphenylamino)-8-isopentyl-5,7-dimethyl-7,8-dihydropyrido[2,3-d]pyrimidin-6(5H)-one; 2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-5,6,7,8-tetrahydropteridin-6-one; 2-[(3,5-Difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one; 2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dihydro-5,7-dimethyl-8-(3-methylbutyl)-6(5h)-pteridone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747342	.	.	.	.	391.4	C19H23F2N5O2	81.6	542	3.6	28	2	8	5	"InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)"	CC1C(=O)N(C2=CN=C(N=C2N1CCC(C)C)NC3=CC(=C(C(=C3)F)O)F)C	DTEKTGDVSARYDS-UHFFFAOYSA-N
DG66521	4-Methyl-3-{[7-(pyridin-2-yl)quinolin-4-yl]amino}phenol	25023828	"GW440139A; CHEMBL395358; SCHEMBL12786897; BDBM25193; GW440139B; NSC756235; 7-substituted 4-anilinoquinoline, 33; NSC-756235; NCGC00242030-01; J3.496.860H; AB01092412-01; 4-methyl-3-{[7-(pyridin-2-yl)quinolin-4-yl]amino}phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756235	.	.	.	.	327.4	C21H17N3O	58	431	4.3	25	2	4	3	"InChI=1S/C21H17N3O/c1-14-5-7-16(25)13-20(14)24-19-9-11-23-21-12-15(6-8-17(19)21)18-4-2-3-10-22-18/h2-13,25H,1H3,(H,23,24)"	CC1=C(C=C(C=C1)O)NC2=C3C=CC(=CC3=NC=C2)C4=CC=CC=N4	BKDBTNDUTIFYHL-UHFFFAOYSA-N
DG66522	NSC740387	25030563	1N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(3-{4-(3-(4-flu orophenyl)-3-oxo-(E)-1-propenyl]-2-methoxyphenoxy}propyl)hex ahydro-1-pyrazinyl]acetamide; SCHEMBL13240115; NSC740387; NSC-740387; 1N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(3-{4-(3-(4-flu orophenyl)-3-oxo-(E)-1-propenyl]-2-methoxyphenoxy}propyl)hex ahydro-1-pyrazinyl]acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740387	.	.	.	.	704.6	C38H36Cl2FN3O5	88.2	1100	8	49	1	8	14	"InChI=1S/C38H36Cl2FN3O5/c1-48-36-23-26(7-15-34(45)27-9-12-29(41)13-10-27)8-16-35(36)49-22-4-17-43-18-20-44(21-19-43)25-37(46)42-33-14-11-28(39)24-31(33)38(47)30-5-2-3-6-32(30)40/h2-3,5-16,23-24H,4,17-22,25H2,1H3,(H,42,46)/b15-7+"	COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)F)OCCCN3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5Cl	OJHVNDYXOSBOPX-VIZOYTHASA-N
DG66523	"1N-[chloro-2-(2-chloro benzoyl)phenyl]-2-(4-{[2-tert-butyl) imidazo[1,2-a] pyridin-8-yl]corbonyl}piperazino)acetamide"	25030564	"SCHEMBL2989448; NSC743120; NSC-743120; 1N-[chloro-2-(2-chloro benzoyl)phenyl]-2-(4-{ [2-tert-butyl) imidazo[1,2-a] pyridin-8-yl]corbonyl}piperazino)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743120	.	.	.	.	592.5	C31H31Cl2N5O3	87	953	6.8	41	1	5	7	"InChI=1S/C31H31Cl2N5O3/c1-31(2,3)26-18-38-12-6-8-22(29(38)35-26)30(41)37-15-13-36(14-16-37)19-27(39)34-25-11-10-20(32)17-23(25)28(40)21-7-4-5-9-24(21)33/h4-12,17-18H,13-16,19H2,1-3H3,(H,34,39)"	CC(C)(C)C1=CN2C=CC=C(C2=N1)C(=O)N3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5Cl	BYCSNYSLYPDMQH-UHFFFAOYSA-N
DG66524	N1-[4-chloro-2-(2-chloro benzyol)phenyl]-2-[4-(4-quinazolinyl)piperazino)acetamide	25030791	SCHEMBL3093546; NSC742258; NSC-742258; N1-[ 4-chloro-2-(2-chloro benzyol)phenyl]-2-[4-(4-quinazolinyl)piperazino)acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742258	.	.	.	.	520.4	C27H23Cl2N5O2	78.4	764	5.9	36	1	6	6	"InChI=1S/C27H23Cl2N5O2/c28-18-9-10-24(21(15-18)26(36)19-5-1-3-7-22(19)29)32-25(35)16-33-11-13-34(14-12-33)27-20-6-2-4-8-23(20)30-17-31-27/h1-10,15,17H,11-14,16H2,(H,32,35)"	C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl)C4=NC=NC5=CC=CC=C54	AOUYGWBNVDGMES-UHFFFAOYSA-N
DG66525	Lucitanib	25031915	"Lucitanib; 1058137-23-7; E-3810; E-3810 amine; UNII-PP449XA4BH; E-3810 free base; PP449XA4BH; CHEBI:65209; 6-((7-((1-aminocyclopropyl)methoxy)-6-methoxyquinolin-4-yl)oxy)-N-methyl-1-naphthamide; 6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide; 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methyl-1-naphthamide; 6-(7-((1-aminocyclopropyl)methoxy)-6-methoxyquinolin-4-yloxy)-N-methyl-1-naphthamide; CHEMBL2180605; 6-((7-((1-Aminocyclopropyl)methoxy)-6-methoxyquinolin-4-yl)oxy)-n-methylnaphthalene-1-carboxamide; 6-({7-[(1-Aminocyclopropyl)methoxy]-6-Methoxyquinolin-4-Yl}oxy)-N-Methylnaphthalene-1-Carboxamide; Lucitanib [USAN:INN]; AL-3810; Lucitanib(E3810); E-3810; Lucitanib; Lucitanib (USAN/INN); SCHEMBL381394; GTPL7649; CHEMBL2220486; E 3810;E3810;Lucitanib; DTXSID30147356; AMY24149; BCP05747; EX-A2052; 3598AH; BDBM50399539; NSC782762; NSC800786; ZINC77024213; BCP9000632; CO-3810; CS-0782; DB11845; NSC-782762; NSC-800786; QC-4603; SB16928; NCGC00378878-02; NCGC00378878-03; 1-Naphthalenecarboxamide, 6-((7-((1-aminocyclopropyl)methoxy)-6-methoxy-4-quinolinyl)oxy)-n-methyl-; 6-[[7-[(1-Aminocyclopropyl)methoxy]-6-methoxy-4-quinolinyl]oxy]-N-methyl-1-naphthalenecarboxamide; AS-82279; DA-33429; HY-15391; FT-0704073; D11762; E-3810E-3810; S 80881; S-80881; Q27082198; 6-(7-((1-aminocyclopropyl)methoxy)-6-methoxy-quinolin-4-yloxy)-N-methyl-1-naphthamide; 3ZC"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782762	.	.	.	.	443.5	C26H25N3O4	95.7	686	3.6	33	2	6	7	"InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30)"	CNC(=O)C1=CC=CC2=C1C=CC(=C2)OC3=C4C=C(C(=CC4=NC=C3)OCC5(CC5)N)OC	CUDVHEFYRIWYQD-UHFFFAOYSA-N
DG66526	NSC767123	25033029	"N-[(3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-3',6',11,12b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-yl]methanesulfonamide; SCHEMBL12920859; 1037210-93-7; NSC767123; NSC-767123"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767123	.	.	.	.	504.8	C29H48N2O3S	75.8	988	4.6	35	2	5	2	"InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21 ,22-,23-,25-,26+,27-,28-,29-/m0/s1"	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC[C@@H]6CC(CC[C@@]6([C@H]5CC4=C(C3)C)C)NS(=O)(=O)C)C)NC1	HZLFFNCLTRVYJG-HKTDDREISA-N
DG66528	(E)-(2-(hydroxymethyl)-5-oxo-4-(4-(trifluoromethyl)benzylidene)tetrahydrofuran-2-yl)methyl 2-propylpentanoate	25053461	"CHEMBL453598; BDBM50244648; NSC749714; NSC-749714; (E)-(2-(hydroxymethyl)-5-oxo-4-(4-(trifluoromethyl)benzylidene)tetrahydrofuran-2-yl)methyl 2-propylpentanoate; rac-(E)-(2-(Hydroxymethyl)-5-oxo-4-{[4-(trifluoromethyl)phenyl-]methylene}-2-2,3-dihydrofuryl)methyl 2-Propylpentanoate; rac-(E/Z)-(4-(4-(trifluoromethyl)benzylidene)-2-(hydroxymethyl)-5-oxo-tetrahydrofuran-2-yl)methyl 2-propylpentanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749714	.	.	.	.	428.4	C22H27F3O5	72.8	617	5.1	30	1	8	10	"InChI=1S/C22H27F3O5/c1-3-5-16(6-4-2)19(27)29-14-21(13-26)12-17(20(28)30-21)11-15-7-9-18(10-8-15)22(23,24)25/h7-11,16,26H,3-6,12-14H2,1-2H3/b17-11+"	CCCC(CCC)C(=O)OCC1(C/C(=C\\C2=CC=C(C=C2)C(F)(F)F)/C(=O)O1)CO	BJUMSBYSPRWYAF-GZTJUZNOSA-N
DG66529	(E)-(4-(4-fluorobenzylidene)-2-(hydroxymethyl)-5-oxotetrahydrofuran-2-yl)methyl 2-propylpentanoate	25053525	"CHEMBL358095; BDBM50244690; NSC749713; NSC-749713; (E)-(4-(4-fluorobenzylidene)-2-(hydroxymethyl)-5-oxotetrahydrofuran-2-yl)methyl 2-propylpentanoate; rac-(E)-{4-[(4-Fluorophenyl)methylene]-2-(hydroxymethyl)-oxo-2-2,3-dihydrofuryl}methyl 2-Propylpentanoate; rac-(E/Z)-(4-(4-fluorobenzylidene)-2-(hydroxymethyl)-5-oxo-tetrahydrofuran-2-yl)methyl 2-propylpentanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749713	.	.	.	.	378.4	C21H27FO5	72.8	533	4.3	27	1	6	10	"InChI=1S/C21H27FO5/c1-3-5-16(6-4-2)19(24)26-14-21(13-23)12-17(20(25)27-21)11-15-7-9-18(22)10-8-15/h7-11,16,23H,3-6,12-14H2,1-2H3/b17-11+"	CCCC(CCC)C(=O)OCC1(C/C(=C\\C2=CC=C(C=C2)F)/C(=O)O1)CO	JOCWHXZDPSIDDS-GZTJUZNOSA-N
DG66530	Jerantinine A Acetate	25058087	"Jerantinine A Acetate; CHEMBL499064; NSC783516; NSC-783516; (5R,12R,19S)-15-Acetoxy-16-methoxy-2,3,6,7-tetradehydroaspidospermidine-3-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783516	.	.	.	.	424.5	C24H28N2O5	77.1	853	3.1	31	1	7	6	"InChI=1S/C24H28N2O5/c1-5-23-7-6-9-26-10-8-24(22(23)26)16-11-19(31-14(2)27)18(29-3)12-17(16)25-20(24)15(13-23)21(28)30-4/h6-7,11-12,22,25H,5,8-10,13H2,1-4H3/t22-,23-,24-/m0/s1"	CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC=C2)C5=CC(=C(C=C5N3)OC)OC(=O)C)C(=O)OC	IMCYDSFSAPKANT-HJOGWXRNSA-N
DG66531	"N-{[(3s)-3-Amino-1-(5-Ethyl-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)pyrrolidin-3-Yl]methyl}-2,4-Difluorobenzamide"	25061501	"akt inhibitor; 1004990-28-6; PF-AKT400; AKT protein kinase inhibitor; CHEMBL1171647; AKT-0286; N-{[(3s)-3-Amino-1-(5-Ethyl-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)pyrrolidin-3-Yl]methyl}-2,4-Difluorobenzamide; (S)-N-[[3-Amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2,4-difluorobenzamide; (S)-N-[[3-Amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2,4-difluorobenzamide.; (S)-N-((3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)methyl)-2,4-difluorobenzamide; N-[[(3S)-3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2,4-difluorobenzamide; SCHEMBL4725524; BCP16893; BDBM50322393; NSC768070; ZINC43178353; CS-5109; NSC-768070; NCGC00485473-01; HY-10721; PF-4176340; Q27467290; 1L-6-HYDROXYMETHYL-CHIRO-INOSITOL 2-(R)-2-O-METHYL-3-O-OCTADECYLCARBONATE; Benzamide,N-[[(3S)-3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-pyrrolidinyl]methyl]-2,4-difluoro-; N-[[(3S)-3-Amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-pyrrolidinyl]methyl]-2,4-difluoro-benzamide, AldrichCPR; N-{[(3s)-3-amino-1-(5-ethyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-methyl}-2,4-difluoro-benzamide; WFE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768070	.	.	.	.	400.4	C20H22F2N6O	99.9	597	2.2	29	3	7	5	"InChI=1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1"	CCC1=CNC2=C1C(=NC=N2)N3CC[C@@](C3)(CNC(=O)C4=C(C=C(C=C4)F)F)N	MOZRQQTUYAYCQT-FQEVSTJZSA-N
DG66533	Rebastinib	25066467	"REBASTINIB; DCC-2036; 1020172-07-9; DCC-2036 (Rebastinib); DCC 2036; 4-(4-(3-(3-(tert-butyl)-1-(quinolin-6-yl)-1H-pyrazol-5-yl)ureido)-3-fluorophenoxy)-N-methylpicolinamide; CHEBI:62166; UNII-75017Q6I97; 4-[4-({[3-Tert-Butyl-1-(Quinolin-6-Yl)-1h-Pyrazol-5-Yl]carbamoyl}amino)-3-Fluorophenoxy]-N-Methylpyridine-2-Carboxamide; DP-1919; N-[3-tert-Butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]-N'-[2-fluoro-4-[(2-(methylcarbamoyl)pyridin-4-yl)oxy]phenyl]urea; 75017Q6I97; 4-[4-[(5-tert-butyl-2-quinolin-6-ylpyrazol-3-yl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide; 1-[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]-3-{2-fluoro-4-[2-(methylcarbamoyl)pyridin-4-yloxy]phenyl}urea; 4-(4-(3-(3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl)ureido)-3-fluorophenoxy)-N-methylpicolinamide; 4-[4-[(5-Tert-butyl-2-quinolin-6-ylpyrazol-3-yl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide,4-methylbenzenesulfonic acid;4-[4-[(5-Tert-butyl-2-quinolin-6-ylpyrazol-3-yl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide,4-methylbenzenesulfonic acid; DCC2036; Rebastinib [USAN:INN]; 3qri; 3qrj; Rebastinib (USAN); DP 1919; DCC-2036; Rebastinib; Rebastinib(DCC-2036); MLS006011270; DCC-2036 FREE BASE; GTPL9173; SCHEMBL2034290; CHEMBL1738757; C30H28FN7O3; DTXSID40144533; QCR-201; BDBM185674; HMS3656H07; HMS3672I07; AMY39865; AOB87733; BCP02345; EX-A2046; MFCD19443646; NSC774831; NSC800863; s2634; ZINC63933734; AKOS025404839; BCP9000591; CCG-264972; CS-1038; DB13005; NSC-774831; NSC-800863; SB16618; NCGC00263172-01; NCGC00263172-09; AC-30301; AS-17048; DA-34916; HY-13024; SMR004703020; FT-0760974; SW219251-1; X7511; J3.653.310B; D10334; Q27088522; 2-Pyridinecarboxamide, 4-[4-[[[[3-(1,1-dimethylethyl)-1-(6-quinolinyl)-1H-pyrazol-5-yl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-; 4-(3-fluoro-4-(((3-(2-methyl-2-propanyl)-1-(6-quinolinyl)-1H-pyrazol-5-yl)carbamoyl)amino)phenoxy)-N-methyl-2-pyridinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774831	.	.	.	.	553.6	C30H28FN7O3	123	904	4.9	41	3	7	7	"InChI=1S/C30H28FN7O3/c1-30(2,3)26-17-27(38(37-26)19-7-9-23-18(14-19)6-5-12-33-23)36-29(40)35-24-10-8-20(15-22(24)31)41-21-11-13-34-25(16-21)28(39)32-4/h5-17H,1-4H3,(H,32,39)(H2,35,36,40)"	CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)NC)F)C4=CC5=C(C=C4)N=CC=C5	WVXNSAVVKYZVOE-UHFFFAOYSA-N
DG66534	"Benzamide, 2-[[2-[[2-methoxy-4-(4-morpholinyl)phenyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-"	25073775	"PND-1186; 1061353-68-1; VS-4718; PND1186; PND 1186; SR2516; UNII-L2BD0MW4OL; L2BD0MW4OL; 2-((2-((2-Methoxy-4-morpholinophenyl)amino)-5-(trifluoromethyl)pyridin-4-yl)amino)-N-methylbenzamide; SR-2516; PND-1186 (VS-4718); 2-(2-(2-methoxy-4-morpholinophenylamino)-5-(trifluoromethyl)pyridin-4-ylamino)-N-methylbenzamide; 2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyridin-4-yl]amino]-N-methylbenzamide; Benzamide, 2-[[2-[[2-methoxy-4-(4-morpholinyl)phenyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-; CHEMBL2430358; 2-((2-((2-methoxy-4-morpholinophenyl)amino)-5-(trifluoromethyl)pyridin-4-yl)amino)-N-methylbenzamide.; Benzamide, 2-((2-((2-methoxy-4-(4-morpholinyl)phenyl)amino)-5-(trifluoromethyl)-4-pyridinyl)amino)-N-methyl-; SR 2516; SR-2156; VS 4718; SCHEMBL47360; GTPL8742; CHEMBL3040440; Vs-4718(pnd1186); AOB6018; EX-A505; C25H26F3N5O3; HMS3673G09; BCP10711; 2664AH; BDBM50440659; MFCD28125506; NSC783102; s7653; ZINC43207772; AKOS026750279; CCG-269701; CS-1584; DB15273; NSC-783102; SB17061; NCGC00378620-04; PND- 1186, Vs-4718; AC-33052; AS-55857; DA-48063; HY-13917; QC-11683; FT-0729392; J3.509.928J; Q27089163; 2-(2-(2-Methoxy-4-morpholinophenylamino)-5-(trifluoromethyl)pyridine-4-ylamino)-N-methylbenzamide; 2-[(2-{[2-methoxy-4-(morpholin-4-yl)phenyl]amino}-5-(trifluoromethyl)pyridin-4-yl)amino]-N-methylbenzamide; N-Methyl-2-{[2-{[-2-(methyloxy)-4-(4-morpholinyl)phenyl]amino}-5-(trifluoromethyl)-4-pyridinyl]amino}benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783102	.	.	.	.	501.5	C25H26F3N5O3	87.8	709	4.7	36	3	10	7	"InChI=1S/C25H26F3N5O3/c1-29-24(34)17-5-3-4-6-19(17)31-21-14-23(30-15-18(21)25(26,27)28)32-20-8-7-16(13-22(20)35-2)33-9-11-36-12-10-33/h3-8,13-15H,9-12H2,1-2H3,(H,29,34)(H2,30,31,32)"	CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2C(F)(F)F)NC3=C(C=C(C=C3)N4CCOCC4)OC	IGUBBWJDMLCRIK-UHFFFAOYSA-N
DG66535	NSC704345	25077304	"2-chloro-4-[[5-chloro-2-[(6-chloro-4-phenyl-3,4-dihydroquinazolin-2-yl)sulfamoyl]-4-(phenylcarbamoyl)phenyl]disulfanyl]-5-[(6-chloro-4-phenyl-3,4-dihydroquinazolin-2-yl)sulfamoyl]-N-phenyl-benzamide; NSC704345; CHEMBL1971595; NSC-704345; NCI60_037256; {2-Chloro-4-[(5-chloro-2-{[(6-chloro-4-phenyl(3,4-dihydroquinazolin-2-yl))amino]sulfonyl}-4-(N-phenylcarbamoyl)phenyl)disulfanyl]-5-{[(6-chloro-4-phenyl(3,4-dihydroquinazolin-2-yl))amino]sulfonyl}phenyl}-N-benzamide; 2-chloro-4-[[5-chloro-2-[(6-chloro-4-phenyl-3,4-dihydroquinazolin-2-yl)sulfamoyl]-4-(phenylcarbamoyl)phenyl]disulfanyl]-5-[(6-chloro-4-phenyl-3,4-dihydroquinazolin-2-yl)sulfamoyl]-N-phenyl-benzamide; N,N'-Bis(3,4-dihydro-6-chloro-4-phenylquinazoline-2-yl)[2,2'-dithiobis[4-chloro-5-[(phenylamino)carbonyl]benzenesulfonamide]]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704345	.	.	.	.	1165	C54H38Cl4N8O6S4	267	2120	11.2	76	6	10	15	"InChI=1S/C54H38Cl4N8O6S4/c55-33-21-23-43-39(25-33)49(31-13-5-1-6-14-31)63-53(61-43)65-75(69,70)47-27-37(51(67)59-35-17-9-3-10-18-35)41(57)29-45(47)73-74-46-30-42(58)38(52(68)60-36-19-11-4-12-20-36)28-48(46)76(71,72)66-54-62-44-24-22-34(56)26-40(44)50(64-54)32-15-7-2-8-16-32/h1-30,49-50H,(H,59,67)(H,60,68)(H2,61,63,65)(H2,62,64,66)"	C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Cl)NC(=N2)NS(=O)(=O)C4=C(C=C(C(=C4)C(=O)NC5=CC=CC=C5)Cl)SSC6=C(C=C(C(=C6)Cl)C(=O)NC7=CC=CC=C7)S(=O)(=O)NC8=NC(C9=C(N8)C=CC(=C9)Cl)C1=CC=CC=C1	GCKLFWNZYAZILX-UHFFFAOYSA-N
DG66536	NSC704346	25077305	"2-chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-[(6-chloro-4-phenyl-3,4-dihydroquinazolin-2-yl)sulfamoyl]phenyl]disulfanyl]-N-(4-chlorophenyl)-5-[(6-chloro-4-phenyl-3,4-dihydroquinazolin-2-yl)sulfamoyl]benzamide; NSC704346; CHEMBL1983468; NSC-704346; NCI60_037257; {2-Chloro-4-[(5-chloro-2-{[(6-chloro-4-phenyl(3,4-dihydroquinazolin-2-yl))amino]sulfonyl}-4-[N-(4-chlorophenyl)carbamoyl]phenyl)disulfanyl]-5-{[(6-chloro-4-phenyl(3,4-dihydroquinazolin-2-yl))amino]sulfonyl}phenyl}-N-(4-chlorophenyl)carboxamide; 2-chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-[(6-chloro-4-phenyl-3,4-dihydroquinazolin-2-yl)sulfamoyl]phenyl]disulfanyl]-N-(4-chlorophenyl)-5-[(6-chloro-4-phenyl-3,4-dihydroquinazolin-2-yl)sulfamoyl]benzamide; N,N'-Bis(3,4-dihydro-6-chloro-4-phenylquinazoline-2-yl)[2,2'-dithiobis[4-chloro-5-[(4-chlorophenylamino)carbonyl]benzenesulfonamide]]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704346	.	.	.	.	1233.9	C54H36Cl6N8O6S4	267	2190	12.4	78	6	10	15	"InChI=1S/C54H36Cl6N8O6S4/c55-31-11-17-35(18-12-31)61-51(69)37-25-47(77(71,72)67-53-63-43-21-15-33(57)23-39(43)49(65-53)29-7-3-1-4-8-29)45(27-41(37)59)75-76-46-28-42(60)38(52(70)62-36-19-13-32(56)14-20-36)26-48(46)78(73,74)68-54-64-44-22-16-34(58)24-40(44)50(66-54)30-9-5-2-6-10-30/h1-28,49-50H,(H,61,69)(H,62,70)(H2,63,65,67)(H2,64,66,68)"	C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Cl)NC(=N2)NS(=O)(=O)C4=C(C=C(C(=C4)C(=O)NC5=CC=C(C=C5)Cl)Cl)SSC6=C(C=C(C(=C6)Cl)C(=O)NC7=CC=C(C=C7)Cl)S(=O)(=O)NC8=NC(C9=C(N8)C=CC(=C9)Cl)C1=CC=CC=C1	AXIDRSVROYJDIL-UHFFFAOYSA-N
DG66538	"6-(1,3-benzodioxol-5-yl)-8-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine"	25110634	CHEMBL487027; NSC743961; NSC-743961	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743961	.	.	.	.	404.4	C20H16N6O4	141	664	2.5	30	2	9	2	"InChI=1S/C20H16N6O4/c21-19-18-20(23-9-22-19)25-14(11-1-4-13(5-2-11)26(27)28)8-15(24-18)12-3-6-16-17(7-12)30-10-29-16/h1-7,9,14H,8,10H2,(H3,21,22,23,25)"	C1C(NC2=NC=NC(=C2N=C1C3=CC4=C(C=C3)OCO4)N)C5=CC=C(C=C5)[N+](=O)[O-]	HEZNLJMOBUEHHH-UHFFFAOYSA-N
DG66539	"6-(1,3-benzodioxol-5-yl)-8-(4-chlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine"	25110635	CHEMBL488208; NSC743962; NSC-743962	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743962	.	.	.	.	393.8	C20H16ClN5O2	94.6	585	3.3	28	2	7	2	"InChI=1S/C20H16ClN5O2/c21-13-4-1-11(2-5-13)14-8-15(12-3-6-16-17(7-12)28-10-27-16)25-18-19(22)23-9-24-20(18)26-14/h1-7,9,14H,8,10H2,(H3,22,23,24,26)"	C1C(NC2=NC=NC(=C2N=C1C3=CC4=C(C=C3)OCO4)N)C5=CC=C(C=C5)Cl	RPLUJBSVCSJQCG-UHFFFAOYSA-N
DG66540	NSC771644	25110841	"(R)-N-(3-Aminopropyl)-3-chloro-N-(1-(7-chloro-4-oxo-3-(phenylamino)-3,4-dihydroquinazolin-2-YL)but-3-YN-1-YL)-2-fluorobenzamide; ARQ 621; 1095253-39-6; ARQ-621; UNII-UU55190C8S; ARQ621; C28H24Cl2FN5O2; UU55190C8S; (R)-N-(3-AMINOPROPYL)-3-CHLORO-N-(1-(7-CHLORO-4-OXO-3-(PHENYLAMINO)-3,4-DIHYDROQUINAZOLIN-2-YL)BUT-3-YN-1-YL)-2-FLUOROBENZAMIDE; SCHEMBL361201; CHEMBL4303449; DTXSID80148974; EX-A857; BCP28395; VTB25339; 2122AH; NSC771644; s7355; ZINC68203755; CCG-270010; NSC-771644; NCGC00386362-01; AC-33009; HY-16062; CS-0006132; SW219929-1; A14234; J-690030; Q27291277; N-(3-amino-propyl)-3-chloro-N-[(R)-1-(7-chloro-4-oxo-3-phenylamino-3,4-dihydro-quinazolin-2-yl)-but-3-ynyl]-2-fluoro-benzamide; N-(3-aminopropyl)-3-chloro-N-[(1R)-1-[7-chloro-3,4-dihydro-4-oxo-3-(phenylamino)-2-quinazolinyl]-3-butyn-1-yl]-2-fluorobenzamide; N-(3-aminopropyl)-N-[(1R)-1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)but-3-ynyl]-3-chloro-2-fluorobenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771644	.	.	.	.	552.4	C28H24Cl2FN5O2	91	920	5.3	38	2	6	9	"InChI=1S/C28H24Cl2FN5O2/c1-2-8-24(35(16-7-15-32)27(37)21-11-6-12-22(30)25(21)31)26-33-23-17-18(29)13-14-20(23)28(38)36(26)34-19-9-4-3-5-10-19/h1,3-6,9-14,17,24,34H,7-8,15-16,32H2/t24-/m1/s1"	C#CC[C@H](C1=NC2=C(C=CC(=C2)Cl)C(=O)N1NC3=CC=CC=C3)N(CCCN)C(=O)C4=C(C(=CC=C4)Cl)F	UPJSUQWHUVLLNW-XMMPIXPASA-N
DG66541	"8-(1,3-benzodioxol-5-yl)-6-(4-methylphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine"	25112165	CHEMBL488889; NSC743957; NSC-743957	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743957	.	.	.	.	373.4	C21H19N5O2	94.6	579	3	28	2	7	2	"InChI=1S/C21H19N5O2/c1-12-2-4-13(5-3-12)15-9-16(14-6-7-17-18(8-14)28-11-27-17)26-21-19(25-15)20(22)23-10-24-21/h2-8,10,16H,9,11H2,1H3,(H3,22,23,24,26)"	CC1=CC=C(C=C1)C2=NC3=C(N=CN=C3NC(C2)C4=CC5=C(C=C4)OCO5)N	BQYTXPHSSBCJCD-UHFFFAOYSA-N
DG66542	(2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline;iodide	25113351	SCHEMBL5318635; NSC5491; NSC-5491	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5491	.	.	.	.	454.3	C23H23IN2	7.1	508	.	26	0	2	3	"InChI=1S/C23H23N2.HI/c1-3-24-16-15-19(21-10-6-8-12-23(21)24)17-20-14-13-18-9-5-7-11-22(18)25(20)4-2;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1"	CCN1/C(=C\\C2=CC=[N+](C3=CC=CC=C23)CC)/C=CC4=CC=CC=C41.[I-]	MYKATFBGLTVMQX-UHFFFAOYSA-M
DG66543	"2-Chloro-3-(2-methoxyethoxy)-[1,4]naphthoquinone, 2-chloro-3-(2-methoxyethoxy)naphthalene-1,4-dione"	25113707	"CHEMBL260544; NSC752641; NSC-752641; 2-Chloro-3-(2-methoxyethoxy)-[1,4]naphthoquinone, 2-chloro-3-(2-methoxyethoxy)naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752641	.	.	.	.	266.67	C13H11ClO4	52.6	389	2.6	18	0	4	4	"InChI=1S/C13H11ClO4/c1-17-6-7-18-13-10(14)11(15)8-4-2-3-5-9(8)12(13)16/h2-5H,6-7H2,1H3"	COCCOC1=C(C(=O)C2=CC=CC=C2C1=O)Cl	DOERRIQXBBYUMX-UHFFFAOYSA-N
DG66544	NSC744025	25113728	"diethyl 2-[4-(5-[(11aS)-7-methoxy-5-oxo-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxypentyl)piperazino]ethylphosphonate; CHEMBL464682; NSC744025; NSC-744025; diethyl 2-[4-(5-[(11aS)-7-methoxy-5-oxo-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxypentyl)piperazino]ethylphosphonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744025	.	.	.	.	564.7	C28H45N4O6P	93.1	829	2	39	0	9	15	"InChI=1S/C28H45N4O6P/c1-4-37-39(34,38-5-2)19-17-31-15-13-30(14-16-31)11-7-6-8-18-36-27-21-25-24(20-26(27)35-3)28(33)32-12-9-10-23(32)22-29-25/h20-23H,4-19H2,1-3H3/t23-/m0/s1"	CCOP(=O)(CCN1CCN(CC1)CCCCCOC2=C(C=C3C(=C2)N=C[C@@H]4CCCN4C3=O)OC)OCC	COOVHJHQCPOPQQ-QHCPKHFHSA-N
DG66545	1-Hexyl-3-[6-(hexylcarbamoylamino)acridin-3-yl]urea	25113761	CHEMBL1186289; NSC804279; NSC-804279	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804279	.	.	.	.	463.6	C27H37N5O2	95.2	566	6.2	34	4	3	12	"InChI=1S/C27H37N5O2/c1-3-5-7-9-15-28-26(33)30-22-13-11-20-17-21-12-14-23(19-25(21)32-24(20)18-22)31-27(34)29-16-10-8-6-4-2/h11-14,17-19H,3-10,15-16H2,1-2H3,(H2,28,30,33)(H2,29,31,34)"	CCCCCCNC(=O)NC1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)NC(=O)NCCCCCC	ZDAXDWFDWOBUOS-UHFFFAOYSA-N
DG66546	(E)-3-(4-chlorophenyl)-1-[4-[(7-chloroquinolin-4-yl)amino]phenyl]prop-2-en-1-one	25113941	CHEMBL486524; SCHEMBL4748932; SCHEMBL14024382; NSC743862; NSC-743862	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743862	.	.	.	.	419.3	C24H16Cl2N2O	42	567	6.8	29	1	3	5	"InChI=1S/C24H16Cl2N2O/c25-18-6-1-16(2-7-18)3-12-24(29)17-4-9-20(10-5-17)28-22-13-14-27-23-15-19(26)8-11-21(22)23/h1-15H,(H,27,28)/b12-3+"	C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)Cl	UHIAYSKMASNTPN-KGVSQERTSA-N
DG66547	Defactinib	25117126	"Defactinib; 1073154-85-4; PF-04554878; VS-6063; 1345713-71-4; UNII-53O87HA2QU; Defactinib (VS-6063, PF-04554878); N-methyl-4-((4-(((3-(N-methylmethylsulfonamido)pyrazin-2-yl)methyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzamide; 53O87HA2QU; N-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide; VS 6063; Benzamide, N-methyl-4-((4-(((3-(methyl(methylsulfonyl)amino)-2-pyrazinyl)methyl)amino)-5-(trifluoromethyl)-2-pyrimidinyl)amino)-; VS6063; Defactinib [USAN:INN]; Defactinib (USAN/INN); GTPL7910; SCHEMBL1627234; C20H21F3N8O3S; CHEMBL3137331; Defactinib (PF-04554878); BDBM418817; HMS3740O13; AMY42170; AOB87723; BCP11299; EX-A1037; EX-A1049; 2361AH; MFCD25977806; NSC778364; NSC781450; NSC782549; NSC800089; s7654; US10450297, Example 317; US10450297, Example 318; AKOS026750300; ZINC103297739; CCG-269780; CS-3410; DB12282; NSC-778364; NSC-781450; NSC-782549; NSC-800089; SB17060; NCGC00386425-06; NCGC00386425-11; AS-17045; DA-34914; DA-45890; HY-12289; FT-0706351; FT-0721609; J3.502.756D; PF 04554878; D10618; A887883; J-690021; Q27077009; 7KD; N-Methyl-4-((4-(((3-(methyl(methylsulfonyl)amino)pyrazin-2-yl)methyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzamide; N-methyl-4-((4-(((3-methyl(methylsulfonyl)aminopyrazin-2-yl)methyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzamide; N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]pyrazin-2- yl}methyl)amino]-5- (trifluoromethyl)pyrimidin-2- yl}amino)benzamide (317); N-methyl-4-(4-((3-(N-methylmethylsulfonamido)pyrazin-2-yl)methylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	778364	.	.	.	.	510.5	C20H21F3N8O3S	151	804	1.4	35	3	13	8	"InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)"	CNC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=NC=CN=C3N(C)S(=O)(=O)C)C(F)(F)F	FWLMVFUGMHIOAA-UHFFFAOYSA-N
DG66548	NSC750035	25121273	"[(4E)-4-[2-(3,3,6a,10b-tetramethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl)ethylidene]-5-oxooxolan-3-yl] acetate; NSC750035; NSC-750035"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750035	.	.	.	.	432.5	C25H36O6	71.1	813	3.7	31	0	6	4	"InChI=1S/C25H36O6/c1-15-7-10-20-24(5,12-11-21-25(20,6)14-29-23(3,4)31-21)18(15)9-8-17-19(30-16(2)26)13-28-22(17)27/h8,18-21H,1,7,9-14H2,2-6H3/b17-8+"	CC(=O)OC\\1COC(=O)/C1=C/CC2C(=C)CCC3C2(CCC4C3(COC(O4)(C)C)C)C	HQUZOQGUMKRRHU-CAOOACKPSA-N
DG66549	NSC767951	25124816	"N-(2,6-Difluorophenyl)-5-[3-[2-[[5-ethyl-2-(methyloxy)-4-[4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl]phenyl]amino]-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methyloxy)benzamide; GSK1904529A; 1089283-49-7; GSK-1904529A; N-(2,6-Difluorophenyl)-5-[3-[2-[[5-ethyl-2-(methyloxy)-4-[4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl]phenyl]amino]-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methyloxy)benzamide; CHEMBL466397; N-(2,6-difluorophenyl)-5-(3-(2-(5-ethyl-2-methoxy-4-(4-(4-(methylsulfonyl)piperazin-1-yl)piperidin-1-yl)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)-2-methoxybenzamide; N-(2,6-Difluorophenyl)-5-[3-[2-[[5-ethyl-2-(methyloxy)-4-[4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl]phenyl]amino]-4-pyrimidinyl]imidazo[1,2-a]pyridin-; GSK 1904529A; N-(2,6-difluorophenyl)-5-(3-{2-[(5-ethyl-2-(methyloxy)-4-{4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-2-(methyloxy)benzamide; MLS006010966; SCHEMBL309890; C44H47F2N9O5S; CHEBI:91401; DTXSID70648776; EX-A008; HMS3295G13; HMS3654G19; AMY24202; AOB87389; GSK 4529; IGF-1R inhibitor GS1904529A; BDBM50256480; MFCD17010271; NSC767951; s1093; AKOS030238962; ZINC150338709; CCG-264817; EX-8674; NSC-767951; QC-7246; SB19376; NCGC00253439-01; NCGC00253439-04; AC-28459; AS-17030; HY-10524; N-(2,6-difluorophenyl)-5-(3-(2-((5-ethyl-2-methoxy-4-(4-(4-(methylsulfonyl)piperazin-1-yl)piperidin-1-yl)phenyl)amino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)-2-methoxybenzamide; N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide; SMR004702770; FT-0733738; SW219610-1; Y0282; EC-000.2336; GSK 1904529A (GSK 4529); A24618; J-522846; BRD-K04833372-001-01-3; Q27163259; IGF-IR, IGF-IIR inhibitor;N-(2,6-Difluorophenyl)-5-[3-[2-[[5-ethyl-2-(methyloxy)-4-[4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl]phenyl]amino]-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methyloxy)benzamide;GSK 4529; N-(2,6-difluorophenyl)-5-(3-(2-(5-ethyl-2-methoxy-4-(4-(4-(methylsulfonyl)piperazin-1-yl)piperidin-1-yl)phenylamino)pyrimidin-4-yl)H-imidazo[1,2-a]pyridin-2-yl)-2-methoxybenzamide; N-(2,6-Difluorophenyl)-5-[3-[2-[[5-ethyl-2-(methyloxy)-4-[4-[4-(methylsulfonyl)-1-piperazinyl]-1-Piperidinyl]phenyl]amino]-4-pyrimid inyl]imidazo[1,2-a]pyridin-2-yl]-2-(methyloxy)benzamide; N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]-2-imidazo[1,2-a]pyridinyl]-2-methoxybenzamide; N-(2,6-Difluorophenyl)-5-{3-[2-(5-ethyl-4-{4-[4-(methanesulfonyl)piperazin-1-yl]piperidin-1-yl}-2-methoxyanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl}-2-methoxybenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767951	.	.	.	.	852	C44H47F2N9O5S	155	1530	6.8	61	2	14	12	"InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)"	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	MOSKATHMXWSZTQ-UHFFFAOYSA-N
DG66552	Unii-gvm730chww	25134692	"UNII-GVM730CHWW; GVM730CHWW; 1100598-15-9; EMD-1204831 free base; SCHEMBL2350245; CHEMBL3960488; BDBM237162; NSC767954; NSC-767954; EMD 1204831; US9403799, A1; US9403799, A2; US9403799, A3; US9403799, A4; US9403799, A5; US9403799, A6; 1362819-72-4; 4-(2-(2-(3-(3-(1-Methyl-1hpyrazol-4-yl)-6-oxo-1,6-dihydropyridazin-1-ylmethyl)-phenyl)-pyrimidin-5-yloxy)-ethyl)-morpholine); 6-(1-methyl-1H-pyrazol-4-yl)-2-{3-[5-(2-morpholin-4-yl-ethoxy)-pyrimidin-2-yl]-benzyl}-2H-pyridazin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767954	.	.	.	.	473.5	C25H27N7O3	98	764	0.8	35	0	8	8	"InChI=1S/C25H27N7O3/c1-30-18-21(14-28-30)23-5-6-24(33)32(29-23)17-19-3-2-4-20(13-19)25-26-15-22(16-27-25)35-12-9-31-7-10-34-11-8-31/h2-6,13-16,18H,7-12,17H2,1H3"	CN1C=C(C=N1)C2=NN(C(=O)C=C2)CC3=CC(=CC=C3)C4=NC=C(C=N4)OCCN5CCOCC5	CIUKPBWULKEZMF-UHFFFAOYSA-N
DG66553	Navelbine ditartrate (TN)	25136944	"Navelbine ditartrate (TN); Navelbine (TN) (GlaxoSmith); NSC608210; NSC-608210; Aspidospermidine-3-carboxylic acid,4-(acetyloxy)-6,7-didehydro-15-[(2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2b,3b,4b,5a,12R,19a)-,(2R,3R)-2,3-dihydroxybutanedioate (1:2) (salt)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	608210	.	.	.	.	929	C49H60N4O14	249	1820	.	67	6	17	13	"InChI=1S/C45H54N4O8.C4H6O6/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7;5-1(3(7)8)2(6)4(9)10/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3;1-2,5-6H,(H,7,8)(H,9,10)/t28-,37-,38+,39+,42+,43+,44-,45-;1-,2-/m01/s1"	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O	UUHYRRXICWUZHW-RPZOAHRESA-N
DG66554	3-({4-[(3-Hydroxy-4-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide	25138015	"GW575808A; 2,4-dianilino pyrimidine, 5; CHEMBL250322; BDBM26148; NSC756265; NSC-756265; NCGC00241894-01; AB01092269-01; 3-({4-[(3-hydroxy-4-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756265	.	.	.	.	335.4	C18H17N5O2	113	449	2.8	25	4	6	5	"InChI=1S/C18H17N5O2/c1-11-5-6-14(10-15(11)24)21-16-7-8-20-18(23-16)22-13-4-2-3-12(9-13)17(19)25/h2-10,24H,1H3,(H2,19,25)(H2,20,21,22,23)"	CC1=C(C=C(C=C1)NC2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)N)O	PKAORYXTBFAULF-UHFFFAOYSA-N
DG66555	Spiroleucettadine	25140521	813460-81-0; Spiroleucettadine; SCHEMBL20693019; NSC806527; NSC-806527	.	.	Investigative Drug(s)	Investigative	Small molecular drug	806527	.	.	.	.	369.4	C20H23N3O4	79.9	681	1	27	2	5	4	"InChI=1S/C20H23N3O4/c1-21-19-13-18(10-8-15(24)9-11-18)27-20(19,23(2)17(25)22-19)12-14-4-6-16(26-3)7-5-14/h4-11,21H,12-13H2,1-3H3,(H,22,25)/t19-,20+/m0/s1"	CN[C@]12CC3(C=CC(=O)C=C3)O[C@]1(N(C(=O)N2)C)CC4=CC=C(C=C4)OC	ZCTVQFBNZMKKCR-VQTJNVASSA-N
DG66557	"2-(Ethyl((5-((6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl)amino)isothiazol-3-yl)methyl)amino)-2-methylpropan-1-ol"	25144732	"1094069-99-4; SCH-1473759; 2-(Ethyl((5-((6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl)amino)isothiazol-3-yl)methyl)amino)-2-methylpropan-1-ol; SCH 1473759; CHEMBL1232515; 2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol; 2-{Ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}-1,2-thiazol-3-yl)methyl]amino}-2-methylpropan-1-ol; SCHEMBL13153153; DTXSID10648851; BDBM50329198; NSC761691; ZINC58660958; CS-1341; NSC-761691; SCH1473759; NCGC00378855-02; HY-10482; QC-11798; A14059; Q27459982; 1-Propanol,2-[ethyl[[5-[[6-Methyl-3-(1H-pyrazol-4-yl)iMidazo[1,2-a]pyrazin-8-yl]aMino]-3-isothiazolyl]Methyl]aMino]-2-Methyl-; 2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-ylamino)isothiazol-3-yl)methyl)amino)-2-methylpropan-1-ol; 2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761691	.	.	.	.	426.5	C20H26N8OS	136	569	2.5	30	3	8	8	"InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)"	CCN(CC1=NSC(=C1)NC2=NC(=CN3C2=NC=C3C4=CNN=C4)C)C(C)(C)CO	RHGZQGXELRMGES-UHFFFAOYSA-N
DG66558	"3,6-dihydropyrazolo[3,4-f][1,2,3,5]tetrazepin-4(3H)-one"	25148595	"3,6-dihydropyrazolo[3,4-f][1,2,3,5]tetrazepin-4(3H)-one; CHEMBL456918; NSC742790; NSC-742790"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742790	.	.	.	.	324.26	C13H11F3N6O	66.1	493	2.7	23	0	7	1	"InChI=1S/C13H11F3N6O/c1-20-11-9(17-19-21(2)12(20)23)10(13(14,15)16)18-22(11)8-6-4-3-5-7-8/h3-7H,1-2H3"	CN1C2=C(C(=NN2C3=CC=CC=C3)C(F)(F)F)N=NN(C1=O)C	ZSGOMKOCWBLQNL-UHFFFAOYSA-N
DG66559	"N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine"	25150857	"BIX-01294; 935693-62-2; N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine; BIX01294; BIX 01294 trihydrochloride hydrate; CHEMBL569864; BIX  01294,  2-(Hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-6,7-dimethoxy-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinazolinamine  hydrate  trihydrochloride; 2-(Hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-6,7-dimethoxy-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinazolinamine; SCHEMBL366593; GTPL7014; CHEBI:93986; AOB4774; EX-A698; C28H38N6O2; HMS3426K09; HMS3742K21; BCP06426; BDBM50300028; MFCD14560563; NSC777571; ZINC36382102; AKOS015994529; AF-0051; CS-0894; NSC-777571; SB19044; SDCCGSBI-0633794.P001; NCGC00185850-01; NCGC00185850-02; NCGC00185850-03; NCGC00185850-08; NCGC00185850-21; 4-Quinazolinamine, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-6,7-dimethoxy-N-[1-(phenylmethyl)-4-p; DA-40377; HY-10587; BIX-01294; BIX 01294; FT-0699828; X3565; A859729; BRD-K26818574-001-01-4; Q27075320; N-(1-benzyl-4-piperidyl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine; 4-Quinazolinamine, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-6,7-dimethoxy-N-[1-(phenylmethyl)-4-piperidinyl]-; Q4A"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777571	.	.	.	.	490.6	C28H38N6O2	66	656	4.5	36	1	8	7	"InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)"	CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)CC5=CC=CC=C5)OC)OC	OSXFATOLZGZLSK-UHFFFAOYSA-N
DG66560	(r)-2-(1-(6-Amino-5-chloropyrimidine-4-carboxamido)ethyl)-n-(5-chloro-4-(trifluoromethyl)pyridin-2-yl)thiazole-5-carboxamide	25161177	"1096708-71-2; MLN2480; BIIB-024; Tak-580; MLN 2480; MLN-2480; BIIB024; Tovorafenib; BIIB 024; UNII-ZN90E4027M; (r)-2-(1-(6-amino-5-chloropyrimidine-4-carboxamido)ethyl)-n-(5-chloro-4-(trifluoromethyl)pyridin-2-yl)thiazole-5-carboxamide; TAK-580 (MLN2480); Tak 580; AMG 2112819; DAY101; TAK580; ZN90E4027M; 2-[(1R)-1-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxamide; 6-AMINO-5-CHLORO-N-[(1R)-1-(5-{[5-CHLORO-4-(TRIFLUOROMETHYL)PYRIDIN-2-YL]CARBAMOYL}-1,3-THIAZOL-2-YL)ETHYL]PYRIMIDINE-4-CARBOXAMIDE; 6-Amino-5-chloro-N-((1R)-1-(5-(((5-chloro-4-(trifluoromethyl)-2-pyridinyl)amino)carbonyl)-2-thiazolyl)ethyl)-4-pyrimidinecarboxamide; 4-Pyrimidinecarboxamide, 6-amino-5-chloro-N-[(1R)-1-[5-[[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]carbonyl]-2-thiazolyl]ethyl]-; 4-Pyrimidinecarboxamide, 6-amino-5-chloro-N-((1R)-1-(5-(((5-chloro-4-(trifluoromethyl)-2-pyridinyl)amino)carbonyl)-2-thiazolyl)ethyl]-; 6-Amino-5-chloro-N-[(1R)-1-[5-[[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]carbonyl]-2-thiazolyl]ethyl]-4-pyrimidinecarboxamide; QOP; Tovorafenib [USAN]; C17H12Cl2F3N7O2S; GTPL9977; SCHEMBL4206123; CHEMBL3348923; DTXSID70149011; EX-A940; CHEBI:167672; BCP13797; 3301AH; MFCD22571730; NSC766906; NSC800798; s7121; WHO 11985; ZINC43202464; MLN 2480(BIIB-024); AKOS027323782; AMG2112819; CCG-269746; CS-0751; DB15266; NSC-766906; NSC-800798; AMG-2112819; NCGC00346458-01; NCGC00346458-02; example 10Da [US20090036419]; HY-15246; P13369; J-690031; Q27295775; (2Z,3Z)-Bis{amino[(2-aminophenyl)sulfanyl]methylene}succinonitrile - ethanol (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766906	.	.	.	.	506.3	C17H12Cl2F3N7O2S	164	695	3	32	3	11	5	"InChI=1S/C17H12Cl2F3N7O2S/c1-6(28-15(31)12-11(19)13(23)27-5-26-12)16-25-4-9(32-16)14(30)29-10-2-7(17(20,21)22)8(18)3-24-10/h2-6H,1H3,(H,28,31)(H2,23,26,27)(H,24,29,30)/t6-/m1/s1"	C[C@H](C1=NC=C(S1)C(=O)NC2=NC=C(C(=C2)C(F)(F)F)Cl)NC(=O)C3=C(C(=NC=N3)N)Cl	VWMJHAFYPMOMGF-ZCFIWIBFSA-N
DG66561	Litronesib	25167017	"Litronesib; 910634-41-2; KF 89617; LY2523355; LY-2523355; UNII-6611F8KYCV; KF89617; LY 2523355; KF-89617; 6611F8KYCV; (R)-N-(5-((2-(ethylamino)ethylsulfonamido)methyl)-5-phenyl-4-pivaloyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)pivalamide.; Litronesib [USAN:INN]; Litronesib (USAN/INN); SCHEMBL368284; CHEMBL2105661; N-[(5R)-4-(2,2-dimethylpropanoyl)-5-[[2-(ethylamino)ethylsulfonylamino]methyl]-5-phenyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide; BDBM50463316; NSC789722; ZINC56898863; CS-5194; DB11861; NSC-789722; SB18860; HY-14846; D09636; LY-2523355;KF-89617; 634D412; Q27263928; (-)-N-[4-(2,2-Dimethylpropanoyl)-5-[[2-(ethylamino)ethanesulfonamido]methyl]-5-phenyl-4,5-dihydro-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide; (-)-N-{4-(2,2-dimethylpropanoyl)-5-(({(2-(ethylamino)ethyl)sulfonyl}amino)methyl)-5- phenyl-4,5-dihydro-1,3,4-thiadiazol-2-yl}-2,2-dimethylpropanamide; (R)-N-{4-(2,2-dimethyl-propionyl)-5-((2-ethylamino-ethanesulfonylamino)-methyl)-5- phenyl-4,5-dihydro-(1,3,4)thiadiazol-2-yl}-2,2-dimethyl-propionamiden; Propanamide, N-(4-(2,2-dimethyl-1-oxopropyl)-5-((((2-(ethylamino)ethyl)sulfonyl) amino)methyl)-4,5-dihydro-5-phenyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-, (-)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789722	.	.	.	.	511.7	C23H37N5O4S2	154	865	3.1	34	3	8	11	"InChI=1S/C23H37N5O4S2/c1-8-24-14-15-34(31,32)25-16-23(17-12-10-9-11-13-17)28(19(30)22(5,6)7)27-20(33-23)26-18(29)21(2,3)4/h9-13,24-25H,8,14-16H2,1-7H3,(H,26,27,29)/t23-/m0/s1"	CCNCCS(=O)(=O)NC[C@@]1(N(N=C(S1)NC(=O)C(C)(C)C)C(=O)C(C)(C)C)C2=CC=CC=C2	YVAFBXLHPINSIK-QHCPKHFHSA-N
DG66563	(S)-1-(4-(4-(1-(cyclopropylsulfonyl)cyclopropyl)-6-(3-methylmorpholino)pyrimidin-2-yl)phenyl)-3-(2-hydroxyethyl)thiourea	25168990	1101810-02-9; AZD-3147; AZD3147; AZD 3147; CHEMBL3410672; (S)-1-(4-(4-(1-(cyclopropylsulfonyl)cyclopropyl)-6-(3-methylmorpholino)pyrimidin-2-yl)phenyl)-3-(2-hydroxyethyl)thiourea; N-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-N'-(2-hydroxyethyl)thiourea; N-[4-[4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methyl-4-morpholinyl]-2-pyrimidinyl]phenyl]-N'-(2-hydroxyethyl)-thiourea; SCHEMBL3926049; BCP24240; EX-A1597; BDBM50072961; NSC784815; AKOS027470230; ZINC147632641; NSC-784815; NCGC00475744-02; 1-(2-Hydroxyethyl)-3-[4-[4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholino]-2-pyrimidinyl]phenyl]thiourea; 1-[4-[4-(1-cyclopropylsulfonylcyclopropyl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]-3-(2-hydroxyethyl)thiourea; N-[4-[4-[1-(Cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methyl-4-morpholinyl]-2-pyrimidinyl]phenyl]-N'-(2-hydroxyethyl)thiourea; VQS	.	.	Investigative Drug(s)	Investigative	Small molecular drug	784815	.	.	.	.	517.7	C24H31N5O4S2	157	853	1.4	35	3	8	8	"InChI=1S/C24H31N5O4S2/c1-16-15-33-13-11-29(16)21-14-20(24(8-9-24)35(31,32)19-6-7-19)27-22(28-21)17-2-4-18(5-3-17)26-23(34)25-10-12-30/h2-5,14,16,19,30H,6-13,15H2,1H3,(H2,25,26,34)/t16-/m0/s1"	C[C@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C4CC4)C5=CC=C(C=C5)NC(=S)NCCO	JWGVUDPAMQEIJU-INIZCTEOSA-N
DG66564	"N-(azetidin-3-yl)-6-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine"	25169382	CHEMBL256963; NCGC00241410; SCHEMBL19900090; BDBM50377181; NSC767162; NSC-767162; NCGC00241410-01; NCGC00241410-02; 1044733-37-0	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767162	.	.	.	.	299.76	C15H14ClN5	54.2	364	2.7	21	2	4	3	"InChI=1S/C15H14ClN5/c16-10-4-5-15-18-8-13(21(15)9-10)12-2-1-3-14(20-12)19-11-6-17-7-11/h1-5,8-9,11,17H,6-7H2,(H,19,20)"	C1C(CN1)NC2=CC=CC(=N2)C3=CN=C4N3C=C(C=C4)Cl	RDTAHMIMQLRAMR-UHFFFAOYSA-N
DG66565	"(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-phenylmethoxyspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione"	25171633	GF 15; CHEMBL521969; NSC768102; NSC-768102; HY-12797; CS-0012506; 888042-13-5	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768102	.	.	.	.	428.9	C23H21ClO6	71.1	702	3.7	30	0	6	5	"InChI=1S/C23H21ClO6/c1-13-9-15(25)10-18(29-12-14-7-5-4-6-8-14)23(13)22(26)19-16(27-2)11-17(28-3)20(24)21(19)30-23/h4-8,10-11,13H,9,12H2,1-3H3/t13-,23+/m1/s1"	C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OCC4=CC=CC=C4	LAWAOYZSUFCPKY-ZLOXQWCVSA-N
DG66567	"4-(2-pyridinyl)-5H-1,3-dithiazole-5-thione"	25181424	"CHEMBL466410; NSC741898; NSC-741898; 4-(2-pyridinyl)-5H-1,3-dithiazole-5-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741898	.	.	.	.	212.3	C7H4N2S3	108	227	2.1	12	0	5	1	InChI=1S/C7H4N2S3/c10-7-6(9-12-11-7)5-3-1-2-4-8-5/h1-4H	C1=CC=NC(=C1)C2=NSSC2=S	ZUIAYOSSPICPCA-UHFFFAOYSA-N
DG66569	NSC766255	25182616	"2-((2-((1-(2-(Dimethylamino)acetyl)-5-methoxyindolin-6-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-6-fluoro-N-methylbenzamide; GSK1838705A; 1116235-97-2; GSK 1838705A; GSK-1838705A; GSK1838705; 2-((2-((1-(2-(Dimethylamino)acetyl)-5-methoxyindolin-6-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-6-fluoro-N-methylbenzamide; GSK 1838705; 2-(2-(1-(2-(dimethylamino)acetyl)-5-methoxyindolin-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-6-fluoro-N-methylbenzamide; 2-[[2-[[1-[(Dimethylamino)ethanoyl]-5-(methyloxy)-2,3-dihydro-1H-indol-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-6-fluoro-N-methylbenzamide; 2-[[2-[[1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-dihydroindol-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-6-fluoro-N-methylbenzamide; 2-[[2-[[1-[2-(Dimethylamino)acetyl]-2,3-dihydro-5-methoxy-1H-indol-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-6-fluoro-N-methylbenzamide; 2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluoro-N-methylbenzamide; MLS006010967; CHEMBL464552; GTPL5683; SCHEMBL2205605; SCHEMBL12428872; BDBM27817; C27H29FN8O3; CHEBI:93768; AOB5716; DTXSID50648971; EX-A301; HMS3656L15; BCP02847; MFCD19443644; NSC766255; ZINC43202844; AKOS024458500; AKOS025149101; BCP9000736; CCG-269927; CS-0695; NSC-766255; pyrrolo[2,3-d]pyrimidine deriv., 40; SB19386; NCGC00346647-01; NCGC00346647-09; NCGC00346647-15; 2-((2-((1-(dimethylglycyl)-5-methoxyindolin-6-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-6-fluoro-N-methylbenzamide; AC-32802; AS-16914; HY-13020; SMR004702771; SW220189-1; X7516; GSK 1838705A;GSK-1838705A; J-505193; Q27077879; 2-((2-((1-((Dimethylamino)ethanoyl)-5-(methyloxy)-2,3-dihydro-1h-indol-6-yl)amino)-7h-pyrrolo(2,3-d)pyrimidin-4-yl)amino)-6-fluoro-n -methylbenzamide; 2-[(2-{[1-(N,N-dimethylglycyl)-5-(methyloxy)-2,3-dihydro-1H-indol-6-yl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide; 2-[(2-{[1-(N,N-Dimethylglycyl)-5-methoxy-2,3-dihydro-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766255	.	.	.	.	532.6	C27H29FN8O3	128	867	3.8	39	4	9	8	"InChI=1S/C27H29FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-8,10,12-13H,9,11,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34)"	CNC(=O)C1=C(C=CC=C1F)NC2=NC(=NC3=C2C=CN3)NC4=C(C=C5CCN(C5=C4)C(=O)CN(C)C)OC	HZTYDQRUAWIZRE-UHFFFAOYSA-N
DG66570	"Urea, N-[6-[[6-(4-fluorophenyl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]thio]-2-benzothiazolyl]-N'-[2-(4-morpholinyl)ethyl]-"	25182860	"SAR125844; 1116743-46-4; SAR-125844; UNII-XH93U6NIJE; XH93U6NIJE; CHEMBL4461070; 1-(6-((6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)benzo[d]thiazol-2-yl)-3-(2-morpholinoethyl)urea; Urea, N-[6-[[6-(4-fluorophenyl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]thio]-2-benzothiazolyl]-N'-[2-(4-morpholinyl)ethyl]-; 1-(6-((6-(4-Fluorophenyl)(1,2,4)triazolo(4,3-b)pyridazin-3-yl)sulfanyl)-1,3-benzothiazol-2-yl)-3-(2-(morpholin-4-yl)ethyl)urea; 1-(6-{[6-(4-Fluorophenyl)[1,2,4]triazolo[4,3-B]pyridazin-3-Yl]sulfanyl}-1,3-Benzothiazol-2-Yl)-3-[2-(Morpholin-4-Yl)ethyl]urea; Urea, N-(6-((6-(4-fluorophenyl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)thio)-2-benzothiazolyl)-N'-(2-(4-morpholinyl)ethyl)-; SCHEMBL2801192; BCP28183; EX-A2198; BDBM50532757; NSC771652; s7564; DB15382; NSC-771652; SB16715; BS-14459; HY-16446; QC-11757; CS-0006341; J3.534.595G; N17079; SAR 125844; SAR-125844; 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulphanyl}-1,3-benzothiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea; 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulphanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea; 1-[6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea; 2-(4-Fluorophenyl)-7-[[2-[[[(2-morpholinoethyl)amino]carbonyl]amino]benzothiazole-6-yl]thio]-5,6-diazapyrrolo[1,2-b]pyridazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771652	.	.	.	.	550.6	C25H23FN8O2S2	163	791	3.4	38	2	10	7	"InChI=1S/C25H23FN8O2S2/c26-17-3-1-16(2-4-17)19-7-8-22-30-31-25(34(22)32-19)37-18-5-6-20-21(15-18)38-24(28-20)29-23(35)27-9-10-33-11-13-36-14-12-33/h1-8,15H,9-14H2,(H2,27,28,29,35)"	C1COCCN1CCNC(=O)NC2=NC3=C(S2)C=C(C=C3)SC4=NN=C5N4N=C(C=C5)C6=CC=C(C=C6)F	ODIUNTQOXRXOIV-UHFFFAOYSA-N
DG66571	Ixazomib	25183872	"Ixazomib; 1072833-77-2; MLN2238; MLN-2238; MLN 2238; (R)-(1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)boronic acid; (R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutylboronic acid; Ixazomib (MLN2238); UNII-71050168A2; CHEMBL2141296; [(1R)-1-{2-[(2,5-dichlorophenyl)formamido]acetamido}-3-methylbutyl]boronic acid; 71050168A2; [(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]boronic acid; Ixazomib [INN]; Ixazomib [USAN:INN]; Ixozamib; Ixazomib Impurity; Ixazomib (USAN); Ixazomib(MLN2238); MLN2238(Ixazomib); Ixazomib (MLN-2238); C14H19BCl2N2O4; GTPL8450; MLN-9708 FREE BASE; SCHEMBL3742758; CHEBI:90942; EX-A547; AMY19380; BCP02410; BCP24078; BDBM50398609; MFCD18251438; NSC766907; s2180; AKOS015995120; ZINC169946773; BCP9000953; CCG-264938; CS-1657; DB09570; NSC-766907; Boronic acid, b-((1R)-1-((2-((2,5-dichlorobenzoyl)amino)acetyl)amino)-3-methylbutyl)-; 1072833-77-2 (free); NCGC00249611-01; NCGC00249611-03; NCGC00249611-04; AC-28456; AS-55976; HY-10453; SW219743-1; X7547; J3.602.191H; A25328; D10130; J-001749; BRD-K78659596-001-01-3; Q20948663; N-[(1R)-1-borono-3-methylbutyl]-N(2)-(2,5-dichlorobenzoyl)glycinamide; (R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutylboronic acid;Ixazomib; [(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methyl-butyl]boronic acid; MLN-2238; ; ; [(1R)-1-[[2-[(2,5-Dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]boronic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766907	.	.	.	.	361	C14H19BCl2N2O4	98.7	412	.	23	4	4	7	"InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1"	B([C@H](CC(C)C)NC(=O)CNC(=O)C1=C(C=CC(=C1)Cl)Cl)(O)O	MXAYKZJJDUDWDS-LBPRGKRZSA-N
DG66572	"(2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol"	25190761	"(2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol; CHEMBL482193; SCHEMBL4162014; BDBM27217; GP0210; NSC743927; DB08285; NSC-743927; pyrazolo[1,5-a]-1,3,5-triazine, 7a; Q27097508; (2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743927	.	.	.	.	354.4	C19H26N6O	87.4	417	3.6	26	3	6	8	"InChI=1S/C19H26N6O/c1-4-15(12-26)22-18-23-17-16(13(2)3)11-21-25(17)19(24-18)20-10-14-8-6-5-7-9-14/h5-9,11,13,15,26H,4,10,12H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1"	CC[C@H](CO)NC1=NC2=C(C=NN2C(=N1)NCC3=CC=CC=C3)C(C)C	SQUNOCMDMIQIQK-OAHLLOKOSA-N
DG66573	1-(1H-indazol-3-yl)-3-(4-methoxyphenyl)urea	25197519	CHEMBL462843; NSC742798; AKOS011980818; NSC-742798; 1-(1H-indazol-3-yl)-3-(4-methoxyphenyl)urea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742798	.	.	.	.	282.3	C15H14N4O2	79	358	2.4	21	3	3	3	"InChI=1S/C15H14N4O2/c1-21-11-8-6-10(7-9-11)16-15(20)17-14-12-4-2-3-5-13(12)18-19-14/h2-9H,1H3,(H3,16,17,18,19,20)"	COC1=CC=C(C=C1)NC(=O)NC2=NNC3=CC=CC=C32	RUUAKWKBFMFTBO-UHFFFAOYSA-N
DG66574	1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea	25197520	CHEMBL463036; NSC742796; NSC-742796; 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742796	.	.	.	.	338.26	C15H10F4N4O	69.8	461	3.4	24	3	6	2	"InChI=1S/C15H10F4N4O/c16-10-6-5-8(15(17,18)19)7-12(10)20-14(24)21-13-9-3-1-2-4-11(9)22-23-13/h1-7H,(H3,20,21,22,23,24)"	C1=CC=C2C(=C1)C(=NN2)NC(=O)NC3=C(C=CC(=C3)C(F)(F)F)F	OQNGGPLHATVXAM-UHFFFAOYSA-N
DG66575	1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea	25197647	NSC742794; NSC-742794; 1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742794	.	.	.	.	331.17	C14H11BrN4O	69.8	346	3.1	20	3	2	2	"InChI=1S/C14H11BrN4O/c15-9-5-7-10(8-6-9)16-14(20)17-13-11-3-1-2-4-12(11)18-19-13/h1-8H,(H3,16,17,18,19,20)"	C1=CC=C2C(=C1)C(=NN2)NC(=O)NC3=CC=C(C=C3)Br	XSKJXAWBFOPOAW-UHFFFAOYSA-N
DG66576	3-Amino-N-(4-benzylphenyl)-1H-indazole-1-carboxamide	25197651	3-Amino-N-(4-benzylphenyl)-1H-indazole-1-carboxamide; CHEMBL463426; NSC742799; NSC-742799	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742799	.	.	.	.	342.4	C21H18N4O	72.9	471	4.4	26	2	3	3	"InChI=1S/C21H18N4O/c22-20-18-8-4-5-9-19(18)25(24-20)21(26)23-17-12-10-16(11-13-17)14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,22,24)(H,23,26)"	C1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)N3C4=CC=CC=C4C(=N3)N	UVRJXHGTVBSXBO-UHFFFAOYSA-N
DG66577	3-Amino-N-(2-methoxyphenyl)-1H-indazole-1-carboxamide	25197780	CHEMBL463625; NSC742803; NSC-742803; 3-Amino-N-(2-methoxyphenyl)-1H-indazole-1-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742803	.	.	.	.	282.3	C15H14N4O2	82.2	379	2.5	21	2	4	2	"InChI=1S/C15H14N4O2/c1-21-13-9-5-3-7-11(13)17-15(20)19-12-8-4-2-6-10(12)14(16)18-19/h2-9H,1H3,(H2,16,18)(H,17,20)"	COC1=CC=CC=C1NC(=O)N2C3=CC=CC=C3C(=N2)N	XSOXUCHMMGFZBD-UHFFFAOYSA-N
DG66578	1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea	25197926	CHEMBL463037; NSC742797; NSC-742797; 1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742797	.	.	.	.	336.27	C15H11F3N4O2	79	449	3.6	24	3	6	3	"InChI=1S/C15H11F3N4O2/c16-15(17,18)24-12-8-4-3-7-11(12)19-14(23)20-13-9-5-1-2-6-10(9)21-22-13/h1-8H,(H3,19,20,21,22,23)"	C1=CC=C2C(=C1)C(=NN2)NC(=O)NC3=CC=CC=C3OC(F)(F)F	LFHBWBDLAQDCMK-UHFFFAOYSA-N
DG66579	2-[2-[2-[2-[4-[6-[4-[2-[2-(2-Pyridin-2-ylethynyl)phenyl]ethynyl]phenoxy]hexoxy]phenyl]ethynyl]phenyl]ethynyl]pyridine	25198629	CHEMBL448140; NSC741695; NSC-741695	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741695	.	.	.	.	672.8	C48H36N2O2	44.2	1230	11	52	0	4	17	"InChI=1S/C48H36N2O2/c1(11-37-51-47-31-21-39(22-32-47)19-25-41-13-3-5-15-43(41)27-29-45-17-7-9-35-49-45)2-12-38-52-48-33-23-40(24-34-48)20-26-42-14-4-6-16-44(42)28-30-46-18-8-10-36-50-46/h3-10,13-18,21-24,31-36H,1-2,11-12,37-38H2"	C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)OCCCCCCOC3=CC=C(C=C3)C#CC4=CC=CC=C4C#CC5=CC=CC=N5)C#CC6=CC=CC=N6	QLJOBUPSRHZKBS-UHFFFAOYSA-N
DG66580	3-Amino-N-(4-butoxyphenyl)-1H-indazole-1-carboxamide	25199443	3-Amino-N-(4-butoxyphenyl)-1H-indazole-1-carboxamide; CHEMBL512402; NSC742801; NSC-742801	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742801	.	.	.	.	324.4	C18H20N4O2	82.2	412	3.7	24	2	4	5	"InChI=1S/C18H20N4O2/c1-2-3-12-24-14-10-8-13(9-11-14)20-18(23)22-16-7-5-4-6-15(16)17(19)21-22/h4-11H,2-3,12H2,1H3,(H2,19,21)(H,20,23)"	CCCCOC1=CC=C(C=C1)NC(=O)N2C3=CC=CC=C3C(=N2)N	WHIJZCACRXMLAI-UHFFFAOYSA-N
DG66581	NSC756152	25210971	"3-(2-(1-(2-(dimethylamino)acetyl)-6-methoxy-1,2,3,4-tetrahydroquinolin-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide; GSK2110236A; CHEMBL456252; SCHEMBL13393625; HMS3304K01; HMS3305M15; BDBM50265870; NSC756152; NSC-756152; NCGC00242245-01; AB01092328-01; 3-(2-(1-(2-(dimethylamino)acetyl)-6-methoxy-1,2,3,4-tetrahydroquinolin-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756152	.	.	.	.	520.6	C25H28N8O3S	170	821	3.6	37	4	9	8	"InChI=1S/C25H28N8O3S/c1-32(2)13-20(34)33-9-4-5-14-11-19(36-3)17(12-18(14)33)29-25-30-23-15(6-8-27-23)24(31-25)28-16-7-10-37-21(16)22(26)35/h6-8,10-12H,4-5,9,13H2,1-3H3,(H2,26,35)(H3,27,28,29,30,31)"	CN(C)CC(=O)N1CCCC2=CC(=C(C=C21)NC3=NC4=C(C=CN4)C(=N3)NC5=C(SC=C5)C(=O)N)OC	KKPGTCOUMOPLRX-UHFFFAOYSA-N
DG66582	NSC756153	25210972	"3-[(2-{[1-(N,N-Dimethylglycyl)-6-Methoxy-4,4-Dimethyl-1,2,3,4-Tetrahydroquinolin-7-Yl]amino}-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)amino]thiophene-2-Carboxamide; GSK2163632A; CHEMBL463931; 1123163-20-1; 3-[(2-{[1-(N,N-Dimethylglycyl)-6-Methoxy-4,4-Dimethyl-1,2,3,4-Tetrahydroquinolin-7-Yl]amino}-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)amino]thiophene-2-Carboxamide; SCHEMBL13393596; HMS3304E01; HMS3305F12; EX-A5214; BDBM50265871; NSC756153; NSC-756153; NCGC00242239-01; pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-; methoxy-4,4-dimethyl-7-quinolinyl]amino]-7H-; AB01092329-01; Q27462080; 3-[[2-[[1-[2-(Dimethylamino)acetyl]-1,2,3,4-tetrahydro-6-; 3-(2-(1-(2-(dimethylamino)acetyl)-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide; 3-[[2-[[1-[2-(Dimethylamino)acetyl]-1,2,3,4-tetrahydro-6-methoxy-4,4-dimethyl-7-quinolinyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-thiophenecarboxamide; 3-[[2-[[1-[2-(dimethylamino)acetyl]-6-methoxy-4,4-dimethyl-2,3-dihydroquinolin-7-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]thiophene-2-carboxamide; KQQ"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756153	.	.	.	.	548.7	C27H32N8O3S	170	893	4.5	39	4	9	8	"InChI=1S/C27H32N8O3S/c1-27(2)8-10-35(21(36)14-34(3)4)19-13-18(20(38-5)12-16(19)27)31-26-32-24-15(6-9-29-24)25(33-26)30-17-7-11-39-22(17)23(28)37/h6-7,9,11-13H,8,10,14H2,1-5H3,(H2,28,37)(H3,29,30,31,32,33)"	CC1(CCN(C2=CC(=C(C=C21)OC)NC3=NC4=C(C=CN4)C(=N3)NC5=C(SC=C5)C(=O)N)C(=O)CN(C)C)C	YNSCKPCDFIDINW-UHFFFAOYSA-N
DG66583	NSC756155	25211574	"2-[(2-{[5-[(N,N-dimethylglycyl)amino]-4-methyl-2-(methyloxy)phenyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluorobenzamide; GSK2213727A; CHEMBL511765; SCHEMBL2206654; SCHEMBL12430223; BDBM27793; HMS3304G01; HMS3305G05; NSC756155; NSC-756155; pyrrolo[2,3-d]pyrimidine deriv., 11; NCGC00242241-01; AB01092324-01; 2-[(2-{[5-[(N,N-dimethylglycyl)amino]-4-methyl-2-(methyloxy)phenyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluorobenzamide; 2-{[2-({5-[2-(dimethylamino)acetamido]-2-methoxy-4-methylphenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756155	.	.	.	.	506.5	C25H27FN8O3	150	791	3.5	37	5	9	9	"InChI=1S/C25H27FN8O3/c1-13-10-19(37-4)18(11-17(13)29-20(35)12-34(2)3)31-25-32-23-14(8-9-28-23)24(33-25)30-16-7-5-6-15(26)21(16)22(27)36/h5-11H,12H2,1-4H3,(H2,27,36)(H,29,35)(H3,28,30,31,32,33)"	CC1=CC(=C(C=C1NC(=O)CN(C)C)NC2=NC3=C(C=CN3)C(=N2)NC4=C(C(=CC=C4)F)C(=O)N)OC	IKWHWJFNGWUVIJ-UHFFFAOYSA-N
DG66584	Sitravatinib	25212148	"Sitravatinib; 1123837-84-2; MGCD516; MG-516; MGCD-516; UNII-CWG62Q1VTB; CWG62Q1VTB; Sitravatinib (MGCD516); MG516; 1-N'-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]pyridin-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; MG-91516; N-(3-fluoro-4-((2-(5-(((2-methoxyethyl)amino)methyl)pyridin-2-yl)thieno[3,2-b]pyridin-7-yl)oxy)phenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; 1,1-Cyclopropanedicarboxamide, N-[3-fluoro-4-[[2-[5-[[(2-methoxyethyl)amino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy]phenyl]-N'-(4- fluorophenyl)-; Sitravatinib [INN]; Sitravatinib (USAN/INN); Sitravatinib [USAN:INN]; SCHEMBL172015; GCD516; GTPL9920; CHEMBL3989926; MGCD516;MG516; GCD-516; BCP29099; EX-A2588; BDBM50467574; NSC788203; s8573; ZINC164334830; CCG-270287; CS-5652; DB15036; NSC-788203; SB17195; NCGC00483926-01; BS-14332; BS166446; HY-16961; D11140; D83649; A910305; Q27275860; MGCD516;MGCD-516;MGCD 516;MG516;MG 516;MG-516; 1,1-Cyclopropanedicarboxamide, N-(3-fluoro-4-((2-(5-(((2-methoxyethyl)amino)methyl)-2-pyridinyl)thieno(3,2-b)pyridin-7-yl)oxy)phenyl)-N'-(4-fluorophenyl)-; 1609655-67-5; N-(3-Fluoro-4-((2-(5-(((2-methoxyethyl)amino)methyl)pyridin-2-yl)thieno(3,2-b)pyridin-7-yl)oxy)phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788203	.	.	.	.	629.7	C33H29F2N5O4S	143	1000	5.2	45	3	10	12	"InChI=1S/C33H29F2N5O4S/c1-43-15-14-36-18-20-2-8-25(38-19-20)29-17-26-30(45-29)28(10-13-37-26)44-27-9-7-23(16-24(27)35)40-32(42)33(11-12-33)31(41)39-22-5-3-21(34)4-6-22/h2-10,13,16-17,19,36H,11-12,14-15,18H2,1H3,(H,39,41)(H,40,42)"	COCCNCC1=CN=C(C=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	WLAVZAAODLTUSW-UHFFFAOYSA-N
DG66585	NSC756144	25218571	"2-{[2-({4-chloro-2-methoxy-5-[(1-propylpiperidin-4-yl)oxy]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide; GSK1713088A; 1123162-72-0; 2-{[2-({4-Chloro-2-methoxy-5-[(1-propyl-4-piperidinyl)oxy]phenyl}amino)-1H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide; 2-{[2-({4-chloro-2-methoxy-5-[(1-propylpiperidin-4-yl)oxy]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide; CHEMBL517171; BDBM27791; HMS3303N12; HMS3305G19; NSC756144; pyrrolo[2,3-d]pyrimidine deriv., 9; NSC-756144; NCGC00242058-01; AB01092322-01; 2-[[2-[4-chloro-2-methoxy-5-(1-propylpiperidin-4-yl)oxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-6-fluorobenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756144	.	.	.	.	568	C28H31ClFN7O3	130	825	6	40	4	9	10	"InChI=1S/C28H31ClFN7O3/c1-3-11-37-12-8-16(9-13-37)40-22-15-21(23(39-2)14-18(22)29)34-28-35-26-17(7-10-32-26)27(36-28)33-20-6-4-5-19(30)24(20)25(31)38/h4-7,10,14-16H,3,8-9,11-13H2,1-2H3,(H2,31,38)(H3,32,33,34,35,36)"	CCCN1CCC(CC1)OC2=C(C=C(C(=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=C(C(=CC=C5)F)C(=O)N)OC)Cl	GGQTUXCKDZGJDL-UHFFFAOYSA-N
DG66586	NSC756156	25218573	"2-[(2-{[5-[(N,N-dimethylglycyl)(methyl)amino]-4-methyl-2-(methyloxy)phenyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluorobenzamide; GSK2219385A; CHEMBL467581; SCHEMBL2206944; SCHEMBL12430215; BDBM27795; HMS3304I01; HMS3305E05; NSC756156; NSC-756156; pyrrolo[2,3-d]pyrimidine deriv., 13; NCGC00242243-01; AB01092325-01; 2-[(2-{[5-[(N,N-dimethylglycyl)(methyl)amino]-4-methyl-2-(methyloxy)phenyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluorobenzamide; 2-{[2-({5-[2-(dimethylamino)-N-methylacetamido]-2-methoxy-4-methylphenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756156	.	.	.	.	520.6	C26H29FN8O3	142	821	3.7	38	4	9	9	"InChI=1S/C26H29FN8O3/c1-14-11-20(38-5)18(12-19(14)35(4)21(36)13-34(2)3)31-26-32-24-15(9-10-29-24)25(33-26)30-17-8-6-7-16(27)22(17)23(28)37/h6-12H,13H2,1-5H3,(H2,28,37)(H3,29,30,31,32,33)"	CC1=CC(=C(C=C1N(C)C(=O)CN(C)C)NC2=NC3=C(C=CN3)C(=N2)NC4=C(C(=CC=C4)F)C(=O)N)OC	ZUXJDKZUOTZPMQ-UHFFFAOYSA-N
DG66587	NSC756145	25218584	"2-fluoro-6-({2-[(5-methoxy-1-{2-[4-(propan-2-yl)piperazin-1-yl]acetyl}-2,3-dihydro-1H-indol-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)benzamide; GSK1751853A; CHEMBL505915; SCHEMBL2204699; SCHEMBL12429956; BDBM27808; HMS3303A12; HMS3305E22; NSC756145; NSC-756145; pyrrolo[2,3-d]pyrimidine deriv., 31; NCGC00242046-01; AB01092323-01; 2-fluoro-6-({2-[(5-methoxy-1-{2-[4-(propan-2-yl)piperazin-1-yl]acetyl}-2,3-dihydro-1H-indol-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756145	.	.	.	.	601.7	C31H36FN9O3	145	1000	4	44	4	10	9	"InChI=1S/C31H36FN9O3/c1-18(2)40-13-11-39(12-14-40)17-26(42)41-10-8-19-15-25(44-3)23(16-24(19)41)36-31-37-29-20(7-9-34-29)30(38-31)35-22-6-4-5-21(32)27(22)28(33)43/h4-7,9,15-16,18H,8,10-14,17H2,1-3H3,(H2,33,43)(H3,34,35,36,37,38)"	CC(C)N1CCN(CC1)CC(=O)N2CCC3=CC(=C(C=C32)NC4=NC5=C(C=CN5)C(=N4)NC6=C(C(=CC=C6)F)C(=O)N)OC	NYPPEWQPHYILTM-UHFFFAOYSA-N
DG66588	"2-[(2-{[2-methyl-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide"	25218593	"GSK994854A; CHEMBL513897; SCHEMBL2204102; SCHEMBL12429323; BDBM27818; HMS3303E11; HMS3305E07; NSC756195; NSC-756195; NCGC00242034-01; AB01092204-01; 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 1; 2-[(2-{[2-methyl-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756195	.	.	.	.	481.6	C28H31N7O	112	775	5.3	36	4	6	8	"InChI=1S/C28H31N7O/c1-3-14-35-15-6-7-20(17-35)19-10-11-23(18(2)16-19)32-28-33-26-22(12-13-30-26)27(34-28)31-24-9-5-4-8-21(24)25(29)36/h4-5,7-13,16H,3,6,14-15,17H2,1-2H3,(H2,29,36)(H3,30,31,32,33,34)"	CCCN1CCC=C(C1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=CC=CC=C5C(=O)N)C	MCHOTIIDAJHLED-UHFFFAOYSA-N
DG66589	"4-fluoro-2-[(2-{[2-methoxy-4-(1-propylpiperidin-3-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide"	25218600	"GSK1173862A; CHEMBL477069; SCHEMBL2206397; SCHEMBL12429522; BDBM27825; HMS3303G15; HMS3305B05; NSC756139; NSC-756139; NCGC00242099-01; AB01092200-01; 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 8; 4-fluoro-2-[(2-{[2-methoxy-4-(1-propylpiperidin-3-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756139	.	.	.	.	517.6	C28H32FN7O2	121	778	5.4	38	4	8	9	"InChI=1S/C28H32FN7O2/c1-3-12-36-13-4-5-18(16-36)17-6-9-22(24(14-17)38-2)33-28-34-26-21(10-11-31-26)27(35-28)32-23-15-19(29)7-8-20(23)25(30)37/h6-11,14-15,18H,3-5,12-13,16H2,1-2H3,(H2,30,37)(H3,31,32,33,34,35)"	CCCN1CCCC(C1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=C(C=CC(=C5)F)C(=O)N)OC	LZOWLPPKVLNYEG-UHFFFAOYSA-N
DG66590	"4-fluoro-2-[(2-{[2-methoxy-4-(1-propylpiperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide"	25218601	"GSK1326255A; 1116234-91-3; 4-Fluoro-2-[(2-{[2-methoxy-4-(1-propyl-4-piperidinyl)phenyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide; 4-fluoro-2-[(2-{[2-methoxy-4-(1-propylpiperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide; CHEMBL476259; SCHEMBL2205722; SCHEMBL12429516; BDBM27826; HMS3303N14; HMS3305H23; NSC756141; NSC-756141; NCGC00242090-01; J3.496.858F; AB01092202-01; 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 9; 4-fluoro-2-[[2-[2-methoxy-4-(1-propylpiperidin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756141	.	.	.	.	517.6	C28H32FN7O2	121	770	5.4	38	4	8	9	"InChI=1S/C28H32FN7O2/c1-3-12-36-13-9-17(10-14-36)18-4-7-22(24(15-18)38-2)33-28-34-26-21(8-11-31-26)27(35-28)32-23-16-19(29)5-6-20(23)25(30)37/h4-8,11,15-17H,3,9-10,12-14H2,1-2H3,(H2,30,37)(H3,31,32,33,34,35)"	CCCN1CCC(CC1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=C(C=CC(=C5)F)C(=O)N)OC	UKKOZAHWQFYYRW-UHFFFAOYSA-N
DG66591	"5-fluoro-2-{[2-({2-methoxy-4-[4-(propan-2-yl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide"	25218614	"GSK1220512A; CHEMBL458865; SCHEMBL2205662; SCHEMBL12429476; BDBM27839; HMS3303O12; HMS3305I19; NSC756140; NSC-756140; NCGC00242059-01; AB01092201-01; 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 25; 5-fluoro-2-{[2-({2-methoxy-4-[4-(propan-2-yl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756140	.	.	.	.	518.6	C27H31FN8O2	124	784	4.6	38	4	9	8	"InChI=1S/C27H31FN8O2/c1-16(2)35-10-12-36(13-11-35)18-5-7-22(23(15-18)38-3)32-27-33-25-19(8-9-30-25)26(34-27)31-21-6-4-17(28)14-20(21)24(29)37/h4-9,14-16H,10-13H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)"	CC(C)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=C(C=C(C=C5)F)C(=O)N)OC	IBROMPXLFSIBRF-UHFFFAOYSA-N
DG66593	NSC781470	25227462	"N-((1S)-2-(Dimethylamino)-1-phenylethyl)-6,6-dimethyl-3-((2-methylthieno(3,2-d)pyrimidin-4-yl)amino)-4,6-dihydropyrrolo(3,4-C)pyrazole-5(1H)-carboxamide; PF-3758309; 898044-15-0; PF-03758309; UNII-PK459EA5I2; PF3758309; PK459EA5I2; (S)-N-(2-(dimethylamino)-1-phenylethyl)-6,6-dimethyl-3-((2-methylthieno[3,2-d]pyrimidin-4-yl)amino)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxamide; CHEMBL3128043; 898044-15-0 (free base); N-((1S)-2-(Dimethylamino)-1-phenylethyl)-6,6-dimethyl-3-((2-methylthieno(3,2-d)pyrimidin-4-yl)amino)-4,6-dihydropyrrolo(3,4-C)pyrazole-5(1H)-carboxamide; N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide; (S)-N-(2-(DIMETHYLAMINO)-1-PHENYLETHYL)-6,6-DIMETHYL-3-((2-METHYLTHIENO[3,2-D]PYRIMIDIN-4-YL)AMINO)-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXAMIDE.; US8530652, 114; 7KC; n-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1h)-carboxamide; example 114 [US8530652]; PF-309; PF 3758309; C25H30N8OS; GTPL8937; SCHEMBL1369342; CHEBI:93751; DTXSID70649389; EX-A849; BDBM101536; BDBM101618; BCP08233; YKB04415; 2643AH; MFCD18633226; NSC781470; NSC800847; s7094; ZINC43203531; AKOS027422746; CCG-269617; compound 1 [PMID: 24432870]; CS-0773; DB11775; NSC-781470; NSC-800847; NCGC00345784-01; NCGC00345784-03; NCGC00345784-05; (S)-N-(2-(Dimethylamino)-1-phenylethyl)-6,6-dimethyl-3-((2-methylthieno[3,2-d]pyrimidin-4-yl)amino)-; AC-33020; AS-56208; HY-13007; SW219931-1; A11930; PF03758309 pound>>PF 03758309; J-690385; PF 3758309; PF3758309; PF-3758309;cas:898044-15-0; Q27088331; 4-tert-Butylcalix[4]arene-O,O',O,O'-tetraacetic acid tetraethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781470	.	.	.	.	490.6	C25H30N8OS	130	747	3.1	35	3	7	6	"InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1"	CC1=NC2=C(C(=N1)NC3=NNC4=C3CN(C4(C)C)C(=O)N[C@H](CN(C)C)C5=CC=CC=C5)SC=C2	AYCPARAPKDAOEN-LJQANCHMSA-N
DG66594	5-(4-Methoxyphenyl)-2-(3-(3-methoxyphenyl)pyridin-4-yl)oxazole	25235411	"PC-046; 1202401-59-9; 5-(4-methoxyphenyl)-2-(3-(3-methoxyphenyl)pyridin-4-yl)oxazole; SCHEMBL9606209; NSC756784; NSC-756784; 5-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)pyridin-4-yl]-1,3-oxazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756784	.	.	.	.	358.4	C22H18N2O3	57.4	455	4.2	27	0	5	5	"InChI=1S/C22H18N2O3/c1-25-17-8-6-15(7-9-17)21-14-24-22(27-21)19-10-11-23-13-20(19)16-4-3-5-18(12-16)26-2/h3-14H,1-2H3"	COC1=CC=C(C=C1)C2=CN=C(O2)C3=C(C=NC=C3)C4=CC(=CC=C4)OC	CTNUOHRUVZXVHX-UHFFFAOYSA-N
DG66596	2-[3-[5-[3-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole	25255579	"SCHEMBL465475; CHEMBL428119; NSC741911; NSC-741911; 2,5-pentanediylbis(oxy-1,3-phenylene)]bis-1H-benzimidazole; 2,2'-[1,5-pentanediylbis(oxy-1,3-phenylene)]-bis-1H-benzimidazole; 2-[3-[5-[3-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741911	.	.	.	.	488.6	C31H28N4O2	75.8	638	7.1	37	2	4	10	"InChI=1S/C31H28N4O2/c1(6-18-36-24-12-8-10-22(20-24)30-32-26-14-2-3-15-27(26)33-30)7-19-37-25-13-9-11-23(21-25)31-34-28-16-4-5-17-29(28)35-31/h2-5,8-17,20-21H,1,6-7,18-19H2,(H,32,33)(H,34,35)"	C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)OCCCCCOC4=CC=CC(=C4)C5=NC6=CC=CC=C6N5	QZPOASXCOYQSRX-UHFFFAOYSA-N
DG66597	NSC757334	25256150	N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxypyridin-3-yl]-N-methyl-4-(trifluoromethyl)benzamide; SCHEMBL10180512; NSC757334; NSC-757334; N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxypyridin-3-yl]-N-methyl-4-(trifluoromethyl)benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757334	.	.	.	.	693.7	C36H32F5N5O4	80.1	1130	6.7	50	0	11	9	"InChI=1S/C36H32F5N5O4/c1-43(33(47)24-5-7-26(8-6-24)36(39,40)41)27-9-14-32(42-21-27)49-29-12-13-30-25(19-29)20-31(44(30)2)34(48)46-17-15-45(16-18-46)22-23-3-10-28(11-4-23)50-35(37)38/h3-14,19-21,35H,15-18,22H2,1-2H3"	CN1C2=C(C=C(C=C2)OC3=NC=C(C=C3)N(C)C(=O)C4=CC=C(C=C4)C(F)(F)F)C=C1C(=O)N5CCN(CC5)CC6=CC=C(C=C6)OC(F)F	UBBWYZSITCQSJO-UHFFFAOYSA-N
DG66598	NSC782164	25257557	"2-(4-methyl-1,4-diazepan-1-yl)-N-((5-methylpyrazin-2-yl)methyl)-5-oxo-5H-benzo[4,5]thiazolo[3,2-a][1,8]naphthyridine-6-carboxamide; CX-5461; 1138549-36-6; CX5461; CX 5461; 2-(4-methyl-1,4-diazepan-1-yl)-N-((5-methylpyrazin-2-yl)methyl)-5-oxo-5H-benzo[4,5]thiazolo[3,2-a][1,8]naphthyridine-6-carboxamide; UNII-3R4C5YLB9I; 3R4C5YLB9I; 2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide; 2-(Hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-N-[(5-methyl-2-pyrazinyl)methyl]-5-oxo-5H-benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide; C27H27N7O2S; 2-(4-Methyl-1,4-diazepan-1-yl)-N-((5-methylpyrazin-2-yl)methyl)-5-oxo-5H-benzo(4,5)thiazolo(3,2-a)(1,8)naphthyridine-6-carboxamide; Pidnarulex; CHEMBL4303309; SCHEMBL12254622; CHEBI:95090; DTXSID20150591; SYN3031; CHEBI:156287; HMS3426K15; AOB87721; BCP02547; EX-A1303; NSC782164; s2684; AKOS026750351; ZINC100015134; BCP9000561; CS-0568; NSC-782164; SB17209; NCGC00346627-01; NCGC00346627-04; NCGC00346627-08; AC-32745; AS-16363; BC168026; HY-13323; Y0304; H11164; J-506426; CX-5461,CAS:1138549-36-6; Q27166854; 2-(4-Methyl-1,4-diazepan-1-yl)-N-((5-methylpyrazin-2-yl)methyl)-5-oxo-5H-benzo[4,5]thiazolo[3,2-a][1; 2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]; 2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-5H-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide; 2-(Hexahydro-4-methyl-1h-1,4-diazepin-1-yl)-n-[(5-Methyl-2-pyrazinyl)methyl]-5-oxo-5h-Benzothiazolo[3,2-a][1,8]naphthyridine-6-carbo xamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782164	.	.	.	.	513.6	C27H27N7O2S	120	915	3.3	37	1	9	4	"InChI=1S/C27H27N7O2S/c1-17-14-29-18(15-28-17)16-30-26(36)23-24(35)19-8-9-22(33-11-5-10-32(2)12-13-33)31-25(19)34-20-6-3-4-7-21(20)37-27(23)34/h3-4,6-9,14-15H,5,10-13,16H2,1-2H3,(H,30,36)"	CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C	XGPBJCHFROADCK-UHFFFAOYSA-N
DG66599	Vistusertib	25262792	"AZD2014; 1009298-59-2; Vistusertib; AZD-2014; AZD 2014; 3-[2,4-Bis((3S)-3-methylmorpholin-4-yl)pyrido[5,6-e]pyrimidin-7-yl]-N-methylbenzamide; UNII-0BSC3P4H5X; Vistusertib (AZD-2014); vistusertib (AZD2014); 0BSC3P4H5X; CHEMBL2336325; 3-(2,4-bis((S)-3-methylmorpholino)pyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide; 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide; C25H30N6O3; 3-(2,4-Bis((3S)-3-methylmorpholin-4-yl)pyrido(5,6-e)pyrimidin-7-yl)-N-methylbenzamide; Benzamide, 3-(2,4-bis((3S)-3-methyl-4-morpholinyl)pyrido(2,3-d)pyrimidin-7-yl)-N-methyl-; Vistusertib [INN]; cc-551; Benzamide, 3-[2,4-bis[(3S)-3-methyl-4-morpholinyl]pyrido[2,3-d]pyrimidin-7-yl]-N-methyl-; 3-[2,4-Bis((3S)-3-methyLmorpholin-4-yl)pyrido-[5,6-e]pyrimidin-7-yl]-N-methylbenzamide; Vistusertib [USAN]; Vistusertib (JAN/INN); Vistusertib [USAN:INN]; MLS006011011; SCHEMBL290672; GTPL7699; AOB3574; DTXSID20143584; EX-A155; SYN1167; AMY24188; BCP05748; BDBM50429701; MFCD22628784; NSC767189; NSC780879; NSC787289; NSC799345; s2783; ZINC59258964; AKOS024464879; BCP9000362; CCG-269370; CS-0701; DB11925; NSC-767189; NSC-780879; NSC-787289; NSC-799345; QC-4554; NCGC00346698-04; NCGC00346698-11; NCGC00346698-12; AC-28425; AS-16302; HY-15247; SMR004702809; SW219704-1; X3569; D10887; J-000268; Q27089147; 3-[2,4-Bis-[(3S)-3-methyl-4-morpholinyl]-pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767189	.	.	.	.	462.5	C25H30N6O3	92.7	698	2.8	34	1	8	4	"InChI=1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5-4-6-19(13-18)24(32)26-3)27-22(20)28-25(29-23)31-10-12-34-15-17(31)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,26,32)/t16-,17-/m0/s1"	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C	JUSFANSTBFGBAF-IRXDYDNUSA-N
DG66600	5-(1H-benzimidazol-1-yl)-3-[(3-methoxybenzyl)oxy]-2-thiophenecarboxamide	25263078	"GW804482X; CHEMBL516248; SCHEMBL5058212; BDBM28160; HMS3303F13; HMS3305B24; benzimidazole thiophene analogue, 11; NSC756363; NSC-756363; NCGC00242066-01; AB01092243-01; 5-(1H-benzimidazol-1-yl)-3-[(3-methoxybenzyl)oxy]-2-thiophenecarboxamide; 5-(1H-1,3-benzodiazol-1-yl)-3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756363	.	.	.	.	379.4	C20H17N3O3S	108	523	3.8	27	1	5	6	"InChI=1S/C20H17N3O3S/c1-25-14-6-4-5-13(9-14)11-26-17-10-18(27-19(17)20(21)24)23-12-22-15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3,(H2,21,24)"	COC1=CC=CC(=C1)COC2=C(SC(=C2)N3C=NC4=CC=CC=C43)C(=O)N	DSRCAFSFCNIHTE-UHFFFAOYSA-N
DG66601	"5-(1H-1,3-benzodiazol-1-yl)-3-[(2-bromophenyl)methoxy]thiophene-2-carboxamide"	25263083	"GSK1023156A; CHEMBL518953; BDBM28166; HMS3303O24; HMS3305C09; benzimidazole thiophene analogue, 17; NSC756134; NSC-756134; NCGC00242233-01; AB01092236-01; 5-(1H-1,3-benzodiazol-1-yl)-3-[(2-bromophenyl)methoxy]thiophene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756134	.	.	.	.	428.3	C19H14BrN3O2S	98.4	511	4.5	26	1	4	5	"InChI=1S/C19H14BrN3O2S/c20-13-6-2-1-5-12(13)10-25-16-9-17(26-18(16)19(21)24)23-11-22-14-7-3-4-8-15(14)23/h1-9,11H,10H2,(H2,21,24)"	C1=CC=C(C(=C1)COC2=C(SC(=C2)N3C=NC4=CC=CC=C43)C(=O)N)Br	BWZJWBWWGBNPLH-UHFFFAOYSA-N
DG66602	3-[(2-Bromophenyl)methoxy]-5-[6-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide	25263088	"GW853606X; GW853606; 3-[(2-bromophenyl)methoxy]-5-[6-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide; 660869-54-5; compound 22 [PMID: 19097784]; CHEMBL481510; GTPL8645; SCHEMBL5067383; BDBM28171; HMS3303F03; HMS3305P04; benzimidazole thiophene analogue, 22; NSC756407; NSC-756407; NCGC00241926-01; AB01092244-01; Q27077959; 3-[(2-bromophenyl)methoxy]-5-[6-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]thiophene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756407	.	.	.	.	496.3	C20H13BrF3N3O2S	98.4	629	5.4	30	1	7	5	"InChI=1S/C20H13BrF3N3O2S/c21-13-4-2-1-3-11(13)9-29-16-8-17(30-18(16)19(25)28)27-10-26-14-6-5-12(7-15(14)27)20(22,23)24/h1-8,10H,9H2,(H2,25,28)"	C1=CC=C(C(=C1)COC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)C(F)(F)F)C(=O)N)Br	LOKKVFGDJAVMLU-UHFFFAOYSA-N
DG66603	"3-[(2-chlorophenyl)methoxy]-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide"	25263092	"GW852849X; BMCL191694 Compound 2; CHEMBL514162; BDBM28178; HMS3303E24; HMS3305D14; benzimidazole thiophene analogue, 29; NSC756406; NSC-756406; NCGC00242223-01; AB01092185-01; 3-[(2-chlorophenyl)methoxy]-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756406	.	.	.	.	443.9	C21H18ClN3O4S	117	603	4.4	30	1	6	7	"InChI=1S/C21H18ClN3O4S/c1-27-16-7-14-15(8-17(16)28-2)25(11-24-14)19-9-18(20(30-19)21(23)26)29-10-12-5-3-4-6-13(12)22/h3-9,11H,10H2,1-2H3,(H2,23,26)"	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4Cl)OC	WRWFZZDBIJLBIJ-UHFFFAOYSA-N
DG66604	"5-[5,6-bis(methyloxy)-1H-benzimidazol-1-yl]-3-[(2-phenylethyl)oxy]-2-thiophenecarboxamide"	25263099	"GSK204925A; CHEMBL473629; SCHEMBL4367870; BDBM28188; HMS3303H24; HMS3305A14; benzimidazole thiophene analogue, 40; NSC756151; NSC-756151; NCGC00242226-01; J3.496.861F; AB01092241-01; 5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-(2-phenylethoxy)thiophene-2-carboxamide; 5-[5,6-bis(methyloxy)-1H-benzimidazol-1-yl]-3-[(2-phenylethyl)oxy]-2-thiophenecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756151	.	.	.	.	423.5	C22H21N3O4S	117	577	4.2	30	1	6	8	"InChI=1S/C22H21N3O4S/c1-27-17-10-15-16(11-18(17)28-2)25(13-24-15)20-12-19(21(30-20)22(23)26)29-9-8-14-6-4-3-5-7-14/h3-7,10-13H,8-9H2,1-2H3,(H2,23,26)"	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCCC4=CC=CC=C4)OC	WJXHPWZUPIMHJP-UHFFFAOYSA-N
DG66605	"5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-(thiophen-2-ylmethoxy)thiophene-2-carboxamide"	25263103	"GSK312948A; CHEMBL480382; SCHEMBL4037298; BDBM28192; HMS3303C10; HMS3305M03; benzimidazole thiophene analogue, 44; NSC756166; NSC-756166; NCGC00242016-01; AB01092242-01; 5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-(thiophen-2-ylmethoxy)thiophene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756166	.	.	.	.	415.5	C19H17N3O4S2	145	557	3.4	28	1	7	7	"InChI=1S/C19H17N3O4S2/c1-24-14-6-12-13(7-15(14)25-2)22(10-21-12)17-8-16(18(28-17)19(20)23)26-9-11-4-3-5-27-11/h3-8,10H,9H2,1-2H3,(H2,20,23)"	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CS4)OC	UKFXNDDYHAHTEM-UHFFFAOYSA-N
DG66606	"methyl 5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-[(2-trifluoromethylbenzyl)-oxy]thiophene-2-carboxylate"	25263110	"GSK1030058A; 660868-83-7; 2-Thiophenecarboxylic acid, 5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]-, methyl ester; methyl 5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-[(2-trifluoromethylbenzyl)-oxy]thiophene-2-carboxylate; methyl 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate; CHEMBL473420; SCHEMBL5058261; BDBM28199; HMS3303I13; HMS3305F20; benzimidazole thiophene analogue, 51; NSC756135; NSC-756135; NCGC00242069-01; AB01092237-01; methyl 5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756135	.	.	.	.	492.5	C23H19F3N2O5S	100	702	5.6	34	0	10	8	"InChI=1S/C23H19F3N2O5S/c1-30-17-8-15-16(9-18(17)31-2)28(12-27-15)20-10-19(21(34-20)22(29)32-3)33-11-13-6-4-5-7-14(13)23(24,25)26/h4-10,12H,11H2,1-3H3"	COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)OC)OCC4=CC=CC=C4C(F)(F)F)OC	QRODFHXJGMZHTM-UHFFFAOYSA-N
DG66607	"5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-N-methyl-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carboxamide"	25263115	"GSK1030061A; CHEMBL518968; BDBM28204; HMS3303G13; HMS3305K21; benzimidazole thiophene analogue, 57; NSC756137; NSC-756137; NCGC00242067-01; AB01092239-01; 5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-N-methyl-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756137	.	.	.	.	491.5	C23H20F3N3O4S	103	703	5	34	1	9	7	"InChI=1S/C23H20F3N3O4S/c1-27-22(30)21-19(33-11-13-6-4-5-7-14(13)23(24,25)26)10-20(34-21)29-12-28-15-8-17(31-2)18(32-3)9-16(15)29/h4-10,12H,11H2,1-3H3,(H,27,30)"	CNC(=O)C1=C(C=C(S1)N2C=NC3=CC(=C(C=C32)OC)OC)OCC4=CC=CC=C4C(F)(F)F	ZBDRKUGDFBDQJP-UHFFFAOYSA-N
DG66608	"3-[(1S)-1-(2-chlorophenyl)ethoxy]-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide"	25263117	"GSK237700A; CHEMBL521806; BDBM28207; HMS3303A23; HMS3305H19; NSC756158; benzimidazole thiophene carboxamide, 4; NSC-756158; AB01092176-01; 3-[(1S)-1-(2-chlorophenyl)ethoxy]-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756158	.	.	.	.	457.9	C22H20ClN3O4S	117	632	4.8	31	1	6	7	"InChI=1S/C22H20ClN3O4S/c1-12(13-6-4-5-7-14(13)23)30-19-10-20(31-21(19)22(24)27)26-11-25-15-8-17(28-2)18(29-3)9-16(15)26/h4-12H,1-3H3,(H2,24,27)/t12-/m0/s1"	C[C@@H](C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=CC(=C(C=C43)OC)OC)C(=O)N	UHCHLTQBLNUYRT-LBPRGKRZSA-N
DG66609	"3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide"	25263118	"GSK317314A; CHEMBL493326; BDBM28208; HMS3303P23; HMS3305P12; NSC756169; NSC-756169; benzimidazole thiophene carboxamide, 16; AB01092178-01; 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756169	.	.	.	.	427.9	C21H18ClN3O3S	108	585	4.8	29	1	5	6	"InChI=1S/C21H18ClN3O3S/c1-12(14-5-3-4-6-15(14)22)28-18-10-19(29-20(18)21(23)26)25-11-24-16-8-7-13(27-2)9-17(16)25/h3-12H,1-2H3,(H2,23,26)/t12-/m1/s1"	C[C@H](C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OC)C(=O)N	YWNUJKWNTHEOIR-GFCCVEGCSA-N
DG66610	"5-(6-methoxy-1H-1,3-benzodiazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide"	25263119	"5-(6-methoxy-1H-1,3-benzodiazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide; GSK317315A; CHEMBL522709; BDBM28209; HMS3303H14; HMS3305C23; NSC756170; NSC-756170; benzimidazole thiophene carboxamide, 17; AB01092179-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756170	.	.	.	.	461.5	C22H18F3N3O3S	108	670	5	32	1	8	6	"InChI=1S/C22H18F3N3O3S/c1-12(14-5-3-4-6-15(14)22(23,24)25)31-18-10-19(32-20(18)21(26)29)28-11-27-16-8-7-13(30-2)9-17(16)28/h3-12H,1-2H3,(H2,26,29)/t12-/m1/s1"	C[C@H](C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OC)C(=O)N	CVLJBLIMHPEZJC-GFCCVEGCSA-N
DG66611	"3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-{6-[(2S)-2,3-dihydroxypropoxy]-1H-1,3-benzodiazol-1-yl}thiophene-2-carboxamide"	25263120	"GSK978744A; CHEMBL1794067; BDBM28210; HMS3303E15; HMS3305A22; NSC756193; NSC-756193; benzimidazole thiophene carboxamide, 18; AB01092183-01; 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-{6-[(2S)-2,3-dihydroxypropoxy]-1H-1,3-benzodiazol-1-yl}thiophene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756193	.	.	.	.	488	C23H22ClN3O5S	148	664	3.5	33	3	7	9	"InChI=1S/C23H22ClN3O5S/c1-13(16-4-2-3-5-17(16)24)32-20-9-21(33-22(20)23(25)30)27-12-26-18-7-6-15(8-19(18)27)31-11-14(29)10-28/h2-9,12-14,28-29H,10-11H2,1H3,(H2,25,30)/t13-,14+/m1/s1"	C[C@H](C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OC[C@H](CO)O)C(=O)N	JVAPIYLPNKDKAQ-KGLIPLIRSA-N
DG66612	NSC756173	25263123	"5-{6-[(1-methylpiperidin-4-yl)methoxy]-1H-1,3-benzodiazol-1-yl}-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide; 5-{6-[(1-methylpiperidin-4-yl)methoxy]-1H-1,3-benzodiazol-1-yl}-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide; GSK326090A; CHEMBL1794068; BDBM28213; HMS3303E10; HMS3305G21; NSC756173; NSC-756173; benzimidazole thiophene carboxamide, 21; AB01092180-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756173	.	.	.	.	558.6	C28H29F3N4O3S	111	830	5.8	39	1	9	8	"InChI=1S/C28H29F3N4O3S/c1-17(20-5-3-4-6-21(20)28(29,30)31)38-24-14-25(39-26(24)27(32)36)35-16-33-22-8-7-19(13-23(22)35)37-15-18-9-11-34(2)12-10-18/h3-8,13-14,16-18H,9-12,15H2,1-2H3,(H2,32,36)/t17-/m1/s1"	C[C@H](C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OCC5CCN(CC5)C)C(=O)N	OPJOIUDMJCRLNO-QGZVFWFLSA-N
DG66613	"3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-{6-[(1-methylpiperidin-4-yl)methoxy]-1H-1,3-benzodiazol-1-yl}thiophene-2-carboxamide"	25263124	"GSK571989A; CHEMBL1794069; BDBM28214; HMS3304F01; HMS3305O14; NSC756178; NSC-756178; benzimidazole thiophene carboxamide, 22; AB01092181-01; 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-{6-[(1-methylpiperidin-4-yl)methoxy]-1H-1,3-benzodiazol-1-yl}thiophene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756178	.	.	.	.	525.1	C27H29ClN4O3S	111	742	5.6	36	1	6	8	"InChI=1S/C27H29ClN4O3S/c1-17(20-5-3-4-6-21(20)28)35-24-14-25(36-26(24)27(29)33)32-16-30-22-8-7-19(13-23(22)32)34-15-18-9-11-31(2)12-10-18/h3-8,13-14,16-18H,9-12,15H2,1-2H3,(H2,29,33)/t17-/m1/s1"	C[C@H](C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OCC5CCN(CC5)C)C(=O)N	FCJBLTLQBCHRIE-QGZVFWFLSA-N
DG66614	"(3R,5S)-5-(2-{4-[(4-benzylphenyl)amino]thieno[3,2-d]pyrimidin-6-yl}ethynyl)pyrrolidin-3-yl morpholine-4-carboxylate"	25263254	"GSK238583A; alkynyl thienopyrimidine, 15j; CHEMBL455434; SCHEMBL6233926; BDBM28498; NSC756159; NSC-756159; J3.496.863B; AB01092390-01; (3R,5S)-5-(2-{4-[(4-benzylphenyl)amino]thieno[3,2-d]pyrimidin-6-yl}ethynyl)pyrrolidin-3-yl morpholine-4-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756159	.	.	.	.	539.6	C30H29N5O3S	117	874	4.7	39	2	8	7	"InChI=1S/C30H29N5O3S/c36-30(35-12-14-37-15-13-35)38-25-17-24(31-19-25)10-11-26-18-27-28(39-26)29(33-20-32-27)34-23-8-6-22(7-9-23)16-21-4-2-1-3-5-21/h1-9,18,20,24-25,31H,12-17,19H2,(H,32,33,34)/t24-,25-/m1/s1"	C1COCCN1C(=O)O[C@@H]2C[C@H](NC2)C#CC3=CC4=C(S3)C(=NC=N4)NC5=CC=C(C=C5)CC6=CC=CC=C6	QAOIGWCWWITZTC-JWQCQUIFSA-N
DG66615	"(3R,5S)-5-(2-{4-[(1-benzyl-1H-indazol-5-yl)amino]thieno[3,2-d]pyrimidin-6-yl}ethynyl)pyrrolidin-3-yl morpholine-4-carboxylate"	25263257	"alkynyl thienopyrimidine, 15m; CHEMBL507821; SCHEMBL6236386; BDBM28501; NSC756150; NSC-756150; AB01092389-01; (3R,5S)-5-(2-{4-[(1-benzyl-1H-indazol-5-yl)amino]thieno[3,2-d]pyrimidin-6-yl}ethynyl)pyrrolidin-3-yl morpholine-4-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756150	.	.	.	.	579.7	C31H29N7O3S	135	996	4	42	2	9	7	"InChI=1S/C31H29N7O3S/c39-31(37-10-12-40-13-11-37)41-25-15-23(32-18-25)6-8-26-16-27-29(42-26)30(34-20-33-27)36-24-7-9-28-22(14-24)17-35-38(28)19-21-4-2-1-3-5-21/h1-5,7,9,14,16-17,20,23,25,32H,10-13,15,18-19H2,(H,33,34,36)/t23-,25-/m1/s1"	C1COCCN1C(=O)O[C@@H]2C[C@H](NC2)C#CC3=CC4=C(S3)C(=NC=N4)NC5=CC6=C(C=C5)N(N=C6)CC7=CC=CC=C7	SDHRCQGCPUPURT-ILBGXUMGSA-N
DG66616	NSC756168	25263274	"(3S,5R)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl N,N-dimethylcarbamate; GSK238063A; CHEMBL466412; SCHEMBL6241800; BDBM28521; HMS3303I07; HMS3305I24; NSC756168; NSC-756168; AB01092421-01; pyrrolidinyl-acetylenic thieno[3,2-d]pyrimidine, 15; (3S,5R)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl N,N-dimethylcarbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756168	.	.	.	.	566	C28H25ClFN5O3S	117	905	5.3	39	2	9	8	"InChI=1S/C28H25ClFN5O3S/c1-35(2)28(36)38-21-11-19(31-14-21)6-8-22-13-24-26(39-22)27(33-16-32-24)34-20-7-9-25(23(29)12-20)37-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,31H,11,14-15H2,1-2H3,(H,32,33,34)/t19-,21-/m0/s1"	CN(C)C(=O)O[C@H]1C[C@@H](NC1)C#CC2=CC3=C(S2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	YEIAMNOHYKXSFB-FPOVZHCZSA-N
DG66617	Unii-8KG95Q2dqh	25268906	"UNII-8KG95Q2DQH; 8KG95Q2DQH; JLK-1486; 1146365-12-9; CHEMBL478507; SCHEMBL2519855; JLK1486; BPM-18708; NSC755642; NSC-755642; SB17311; 5,5'-[[[4-(Trifluoromethyl)benzyl]imino]bismethylene]bis(quinoline-8-ol); 5,5-(4-(Trifluromethyl)benzylazanediyl)bis(methylene)diquinolin-8-ol; 5,5'-((((4-(Trifluoromethyl)phenyl)methyl)imino)bis(methylene))bis(8-quinolinol); 8-Quinolinol, 5,5'-((((4-(trifluoromethyl)phenyl)methyl)imino)bis(methylene))bis-; 5-(((8-Hydroxyquinolin-5-yl)methyl-((4-(trifluoromethyl)phenyl)methyl)amino)methyl)quinolin-8-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755642	.	.	.	.	489.5	C28H22F3N3O2	69.5	662	5.5	36	2	8	6	"InChI=1S/C28H22F3N3O2/c29-28(30,31)21-9-5-18(6-10-21)15-34(16-19-7-11-24(35)26-22(19)3-1-13-32-26)17-20-8-12-25(36)27-23(20)4-2-14-33-27/h1-14,35-36H,15-17H2"	C1=CC2=C(C=CC(=C2N=C1)O)CN(CC3=CC=C(C=C3)C(F)(F)F)CC4=C5C=CC=NC5=C(C=C4)O	JZARXLRJMQKPON-UHFFFAOYSA-N
DG66618	N-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide	25459838	TCMDC-124634; CHEMBL587923; MMV666071; NSC766548; NSC-766548	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766548	.	.	.	.	413.5	C26H27N3O2	61.3	598	4.4	31	2	3	5	"InChI=1S/C26H27N3O2/c1-18-6-11-23(31-18)17-29-14-12-20(13-15-29)26(30)27-22-9-7-19(8-10-22)25-16-21-4-2-3-5-24(21)28-25/h2-11,16,20,28H,12-15,17H2,1H3,(H,27,30)"	CC1=CC=C(O1)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=CC5=CC=CC=C5N4	OBJNNBMWUAKVOJ-UHFFFAOYSA-N
DG66619	(3Z)-6-chloro-3-[(4-hydroxyphenyl)methylidene]thiochromen-4-one	25676884	NSC747168; NSC-747168	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747168	.	.	.	.	302.8	C16H11ClO2S	62.6	401	4.1	20	1	3	1	"InChI=1S/C16H11ClO2S/c17-12-3-6-15-14(8-12)16(19)11(9-20-15)7-10-1-4-13(18)5-2-10/h1-8,18H,9H2/b11-7+"	C1/C(=C\\C2=CC=C(C=C2)O)/C(=O)C3=C(S1)C=CC(=C3)Cl	AHUGIMRREOKQIL-YRNVUSSQSA-N
DG66620	1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine	26325235	TCMDC-124632; CHEMBL533399; SCHEMBL18153453; MMV666069; NSC766538; MCULE-9244718280; NSC-766538	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766538	.	.	.	.	418.6	C26H34N4O	33.5	496	4.4	31	0	4	9	"InChI=1S/C26H34N4O/c1-28(20-24-18-27-30(21-24)25-6-4-3-5-7-25)19-23-13-16-29(17-14-23)15-12-22-8-10-26(31-2)11-9-22/h3-11,18,21,23H,12-17,19-20H2,1-2H3"	CN(CC1CCN(CC1)CCC2=CC=C(C=C2)OC)CC3=CN(N=C3)C4=CC=CC=C4	JKRALBAWWDRRPL-UHFFFAOYSA-N
DG66621	"3,3-bis(3-fluoro-4-hydroxyphenyl)-1,3-dihydro-2H-indol-2-one"	26367014	"NSC782154; STK509598; ZINC15017005; AKOS000359152; MCULE-9816277172; NSC-782154; 3,3-bis(3-fluoro-4-hydroxyphenyl)-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782154	.	.	.	.	353.3	C20H13F2NO3	69.6	519	3.4	26	3	5	2	"InChI=1S/C20H13F2NO3/c21-14-9-11(5-7-17(14)24)20(12-6-8-18(25)15(22)10-12)13-3-1-2-4-16(13)23-19(20)26/h1-10,24-25H,(H,23,26)"	C1=CC=C2C(=C1)C(C(=O)N2)(C3=CC(=C(C=C3)O)F)C4=CC(=C(C=C4)O)F	UDUWVSAYUKWTSI-UHFFFAOYSA-N
DG66622	"4-[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one"	26476961	NSC740617; NSC-740617	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740617	.	.	.	.	477.6	C29H27N5O2	59.5	947	5.1	36	0	5	5	"InChI=1S/C29H27N5O2/c1-20-26(29(36)34(32(20)4)24-13-9-6-10-14-24)33-27(22-11-7-5-8-12-22)30-25(28(33)35)19-21-15-17-23(18-16-21)31(2)3/h5-19H,1-4H3/b25-19+"	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=N/C(=C/C4=CC=C(C=C4)N(C)C)/C3=O)C5=CC=CC=C5	IDCQCSGMPQOWSQ-NCELDCMTSA-N
DG66623	Imidazole-5-one deri	26476967	Imidazole-5-one deri; NSC740613; NSC-740613	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740613	.	.	.	.	450.5	C27H22N4O3	76.4	911	4.6	34	1	5	4	"InChI=1S/C27H22N4O3/c1-18-24(27(34)31(29(18)2)21-14-7-4-8-15-21)30-25(19-11-5-3-6-12-19)28-22(26(30)33)17-20-13-9-10-16-23(20)32/h3-17,32H,1-2H3/b22-17+"	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=N/C(=C/C4=CC=CC=C4O)/C3=O)C5=CC=CC=C5	AFKAXPNLZZOGSZ-OQKWZONESA-N
DG66624	"N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]thio}acetamide"	27509345	"N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]thio}acetamide; CHEMBL2028053; SCHEMBL17206097; HTS014261; MMV396680; NSC766411; ZINC17051546; AKOS004991101; MCULE-2622970268; MMV-398660; NSC-766411; F3382-2009; 1021257-44-2; N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((2-(p-tolyl)pyrazolo[1,5-a]pyrazin-4-yl)thio)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766411	.	.	.	.	476.9	C22H16ClF3N4OS	84.6	649	5.3	32	1	7	5	"InChI=1S/C22H16ClF3N4OS/c1-13-2-4-14(5-3-13)17-11-19-21(27-8-9-30(19)29-17)32-12-20(31)28-18-10-15(22(24,25)26)6-7-16(18)23/h2-11H,12H2,1H3,(H,28,31)"	CC1=CC=C(C=C1)C2=NN3C=CN=C(C3=C2)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl	HKNNPGWJKJDXCN-UHFFFAOYSA-N
DG66625	"4-(3-{1-[2-(dimethylamino)ethyl]-1H-pyrazol-3-yl}phenyl)-N,N,5,6-tetramethyl-2-pyrimidinamine"	30876879	"NSC765369; ZINC23153457; NSC-765369; 4-(3-{1-[2-(dimethylamino)ethyl]-1H-pyrazol-3-yl}phenyl)-N,N,5,6-tetramethyl-2-pyrimidinamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765369	.	.	.	.	364.5	C21H28N6	50.1	456	3	27	0	5	6	"InChI=1S/C21H28N6/c1-15-16(2)22-21(26(5)6)23-20(15)18-9-7-8-17(14-18)19-10-11-27(24-19)13-12-25(3)4/h7-11,14H,12-13H2,1-6H3"	CC1=C(N=C(N=C1C2=CC=CC(=C2)C3=NN(C=C3)CCN(C)C)N(C)C)C	SVOZAMOPQXHFML-UHFFFAOYSA-N
DG66626	"(+)-(3R,5S)-fluvastatin"	37888681	"(3R,5S)-fluvastatin(1-); fluvastatin; cid_23663976; CHEMBL1078; (+)-(3R,5S)-fluvastatin; AB01274723-01; (+)-fluvastatin(1-); CHEBI:77600; BDBM200236; (+)-(3R,5S)-fluvastatin(1-); (3R,5S)-(+)-fluvastatin(1-); BDBM50160794; BDBM50368147; NSC765948; NSC-765948; AB00876292_06; Q27147200; (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoate; (3R,5S,6E)-3,5-Dihydroxy-7-(1-isopropyl-3-(4-fluorophenyl)-1H-indole-2-yl)-6-heptenoic acid anion"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765948	.	.	.	.	410.5	C24H25FNO4-	85.5	584	4.1	30	2	5	7	"InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/p-1/b12-11+/t18-,19-/m1/s1"	CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C3=CC=C(C=C3)F	FJLGEFLZQAZZCD-MCBHFWOFSA-M
DG66627	4-cyano-N-(4-methoxy-7-methylbenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide	40481904	"895426-24-1; 4-cyano-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]benzamide; 4-cyano-N-(4-methoxy-7-methylbenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide; CHEMBL601492; ZINC4273302; MMV001241; NSC766674; AKOS002065613; MCULE-1689114985; NSC-766674; SJ000260272; F2515-2445; 4-cyano-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766674	.	.	.	.	414.5	C23H18N4O2S	107	644	4.2	30	0	6	5	"InChI=1S/C23H18N4O2S/c1-15-5-10-19(29-2)20-21(15)30-23(26-20)27(14-17-4-3-11-25-13-17)22(28)18-8-6-16(12-24)7-9-18/h3-11,13H,14H2,1-2H3"	CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)C#N	SSIMQXGQNYOUGF-UHFFFAOYSA-N
DG66628	(Z)-1-(5-chloro-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one	40491342	MLS000736782; NSC-71097; CHEMBL4297040; NSC71097; ZINC4707806; 7209-75-8	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71097	.	.	.	.	309.7	C18H12ClNO2	50.2	425	4.8	22	1	3	3	"InChI=1S/C18H12ClNO2/c19-13-6-9-17(21)15(11-13)18(22)10-8-14-7-5-12-3-1-2-4-16(12)20-14/h1-11,21H/b10-8-"	C1=CC=C2C(=C1)C=CC(=N2)/C=C\\C(=O)C3=C(C=CC(=C3)Cl)O	MOGBASXXMDTQMD-NTMALXAHSA-N
DG66629	ethyl 2-(2-butanoylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate	42597063	CHEMBL470525; NSC741620; NSC-741620	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741620	.	.	.	.	345.4	C18H23N3O4	92.4	438	3.8	25	3	5	9	"InChI=1S/C18H23N3O4/c1-4-6-16(22)20-21-17-14(18(23)25-5-2)11-15(19-17)12-7-9-13(24-3)10-8-12/h7-11,19,21H,4-6H2,1-3H3,(H,20,22)"	CCCC(=O)NNC1=C(C=C(N1)C2=CC=C(C=C2)OC)C(=O)OCC	ZHAMCOBMFSUNMT-UHFFFAOYSA-N
DG66630	"4-(4-Anilinopyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide"	42612133	NSC742621; NSC-742621	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742621	.	.	.	.	366.4	C17H14N6O2S	124	568	2.3	26	2	7	4	"InChI=1S/C17H14N6O2S/c18-26(24,25)14-8-6-13(7-9-14)23-17-15(10-21-23)16(19-11-20-17)22-12-4-2-1-3-5-12/h1-11H,(H2,18,24,25)(H,19,20,22)"	C1=CC=C(C=C1)NC2=C3C=NN(C3=NC=N2)C4=CC=C(C=C4)S(=O)(=O)N	LOLNLRPYBIEWHP-UHFFFAOYSA-N
DG66631	2-(4-((4-Amino-2-methylphenyl)diazenyl)phenylsulfonyl)ethanesulfonoperoxoic acid	42614805	SCHEMBL1937885; CHEMBL1970726; NSC-676914; 2-(4-((4-amino-2-methylphenyl)diazenyl)phenylsulfonyl)ethanesulfonoperoxoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676914	.	.	.	.	399.4	C15H17N3O6S2	165	675	1.6	26	2	9	7	"InChI=1S/C15H17N3O6S2/c1-11-10-12(16)2-7-15(11)18-17-13-3-5-14(6-4-13)25(19,20)9-8-24-26(21,22)23/h2-7,10H,8-9,16H2,1H3,(H,21,22,23)"	CC1=C(C=CC(=C1)N)N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O	OHESCKQZCFTCNA-UHFFFAOYSA-N
DG66632	NSC722659	42616308	"(19E,21E,23E,25E,27E,29E,31E)-33-[3,5-dihydroxy-6-methyl-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]oxan-2-yl]oxy-N-[2-(dimethylamino)ethyl]-1,3,5,7,9,13,37-heptahydroxy-17-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxamide; NSC722659; DTXSID70420231; 143483-77-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722659	.	.	.	.	1337.6	C70H108N6O19	370	2550	3.2	95	13	23	17	"InChI=1S/C70H108N6O19/c1-45-20-18-16-14-12-10-8-9-11-13-15-17-19-21-57(93-69-66(89)64(65(88)47(3)92-69)73-61(86)44-76-32-30-75(7)31-33-76)41-60-63(68(90)72-28-29-74(5)6)59(85)43-70(91,95-60)42-56(83)38-54(81)36-52(79)34-51(78)35-53(80)37-55(82)40-62(87)94-67(45)46(2)22-27-50(77)39-58(84)48-23-25-49(71-4)26-24-48/h8-21,23-26,45-47,50-52,54-57,59-60,63-67,69,71,77-79,81-83,85,88-89,91H,22,27-44H2,1-7H3,(H,72,90)(H,73,86)/b9-8+,12-10+,13-11+,16-14+,17-15+,20-18+,21-19+"	CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCN(C)C)OC4C(C(C(C(O4)C)O)NC(=O)CN5CCN(CC5)C)O	QLRLSJWJNUKXJI-IDMZAWEHSA-N
DG66633	"Benzyloxyisoquinoline, 6"	42618163	"GSK980961A; benzyloxyisoquinoline, 6; CHEMBL483747; BDBM29430; HMS3304A01; HMS3305J15; NSC756194; NSC-756194; NCGC00242235-01; AB01092216-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756194	.	.	.	.	390.5	C22H18N2O3S	90.7	599	3.8	28	1	5	5	"InChI=1S/C22H18N2O3S/c23-28(25,26)20-8-4-7-18(11-20)21-12-17-9-10-24-14-19(17)13-22(21)27-15-16-5-2-1-3-6-16/h1-14H,15H2,(H2,23,25,26)"	C1=CC=C(C=C1)COC2=C(C=C3C=CN=CC3=C2)C4=CC(=CC=C4)S(=O)(=O)N	WFQYBHCSVMMJEF-UHFFFAOYSA-N
DG66634	N-(3-Methylisoxazole-5-yl)-2-[1-(4-fluorobenzyl)-4-methoxy-1H-indole-3-yl]-2-oxoacetamide	42624803	NSC746058; NSC-746058; N-(3-Methylisoxazole-5-yl)-2-[1-(4-fluorobenzyl)-4-methoxy-1H-indole-3-yl]-2-oxoacetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746058	.	.	.	.	407.4	C22H18FN3O4	86.4	628	3.6	30	1	6	6	"InChI=1S/C22H18FN3O4/c1-13-10-19(30-25-13)24-22(28)21(27)16-12-26(11-14-6-8-15(23)9-7-14)17-4-3-5-18(29-2)20(16)17/h3-10,12H,11H2,1-2H3,(H,24,28)"	CC1=NOC(=C1)NC(=O)C(=O)C2=CN(C3=C2C(=CC=C3)OC)CC4=CC=C(C=C4)F	RNDITTSQGPGIAB-UHFFFAOYSA-N
DG66635	"(2,3-Dihydroxyphenyl)-[1-[(4-fluorophenyl)methyl]-4-hydroxyindol-3-yl]methanone"	42624812	NSC746053; NSC-746053	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746053	.	.	.	.	377.4	C22H16FNO4	82.7	553	4.5	28	3	5	4	"InChI=1S/C22H16FNO4/c23-14-9-7-13(8-10-14)11-24-12-16(20-17(24)4-2-5-18(20)25)21(27)15-3-1-6-19(26)22(15)28/h1-10,12,25-26,28H,11H2"	C1=CC(=C(C(=C1)O)O)C(=O)C2=CN(C3=C2C(=CC=C3)O)CC4=CC=C(C=C4)F	XEMXFCLWYOSALC-UHFFFAOYSA-N
DG66636	(E)-1-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one	42631501	NSC743864; NSC-743864	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743864	.	.	.	.	374.8	C22H15ClN2O2	55.1	532	5.2	27	1	4	5	"InChI=1S/C22H15ClN2O2/c23-16-5-9-19-20(11-12-24-21(19)14-16)25-17-6-3-15(4-7-17)22(26)10-8-18-2-1-13-27-18/h1-14H,(H,24,25)/b10-8+"	C1=COC(=C1)/C=C/C(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl	BJPFCFLSWWNGTD-CSKARUKUSA-N
DG66638	Varlitinib	42642648	"VARLITINIB; 845272-21-1; ARRY-334543; ARRY334543; ARRY-543; ARRY 334543; Varlitinib (ARRY334543); UNII-846Y8197W1; ASLAN-001; 846Y8197W1; (R)-N4-(3-chloro-4-(thiazol-2-ylmethoxy)phenyl)-N6-(4-methyl-4,5-dihydrooxazol-2-yl)quinazoline-4,6-diamine; (R)-N4-(3-chloro-4-(thiazol-2-ylmethoxy)phenyl)-N6-(4-methyl-4,5-dihydrooxazol-2-yl)quinazoline-4,6-diamine.; 4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine; Varlitinib [USAN:INN]; Varlitinib free base; Varlitinib (USAN/INN); ASLAN001; MLS006011274; GTPL7645; SCHEMBL1384578; CHEMBL2103842; SYN1192; EX-A1005; VIB27221; BDBM50205268; NSC764823; NSC800962; s2755; ZINC13980035; AKOS027250815; CCG-269421; CS-5222; DB05944; NSC-764823; NSC-800962; NCGC00346724-01; NCGC00346724-02; HY-10530; SMR004703024; SW219901-1; AR-00334543; D09689; A900002; Q27089126; (R)-4-[[3-Chloro-4-[(thiazol-2-yl)methoxy]phenyl]amino]-6-[(4-methyl-4,5-dihydrooxazol-2-yl)amino]quinazoline;Varlitinib; 4,6-Quinazolinediamine, N(sup 4)-(3-chloro-4-(2-thiazolylmethoxy)phenyl)-N(sup 6)-((4R)-4,5- dihydro-4-methyl-2-oxazolyl)-; N(sup 4)-(3-Chloro-4-(thiazol-2-ylmethoxy)phenyl)-N(sup 6)-((4R)-4-methyl-4,5-dihydrooxazol-2- yl)quinazoline-4,6-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764823	.	.	.	.	466.9	C22H19ClN6O2S	122	660	4.2	32	2	8	7	"InChI=1S/C22H19ClN6O2S/c1-13-10-31-22(27-13)29-14-2-4-18-16(8-14)21(26-12-25-18)28-15-3-5-19(17(23)9-15)30-11-20-24-6-7-32-20/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,25,26,28)/t13-/m1/s1"	C[C@@H]1COC(=N1)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=NC=CS5)Cl	UWXSAYUXVSFDBQ-CYBMUJFWSA-N
DG66640	"N1-(6-methoxy-1,5-dioxo-10-phenyl-5,10-dihydro-5-benzo[e][1,2,4]triazolo[4,3-b][1,2,4]thiadiazin-3-yl)sulfanyl]acetamide"	42643013	"NSC743435; NSC-743435; N1-(6-methoxy-1,5-dioxo-10-phenyl-5,10-dihydro-5-benzo[e][1,2,4]triazolo[4,3-b][1,2,4]thiadiazin-3-yl)sulfanyl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743435	.	.	.	.	550.6	C24H18N6O4S3	181	932	4.8	37	1	10	6	"InChI=1S/C24H18N6O4S3/c1-34-16-11-12-17-19(13-16)36-22(25-17)26-21(31)14-35-24-28-27-23-29(15-7-3-2-4-8-15)18-9-5-6-10-20(18)37(32,33)30(23)24/h2-13H,14H2,1H3,(H,25,26,31)"	COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C4N3S(=O)(=O)C5=CC=CC=C5N4C6=CC=CC=C6	SBVXHZZEZANPCO-UHFFFAOYSA-N
DG66642	MK-2461	44137946	"MK-2461; 917879-39-1; MK 2461; UNII-4200RD53XF; 4200RD53XF; n-((2r)-1,4-dioxan-2-ylmethyl)-n-methyl-n'-[3-(1-methyl-1h-pyrazol-4-yl)-5-oxo-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]sulfamide; C24H25N5O5S; MK2461; N-[(2R)-1,4-dioxan-2-ylmethyl]-N-methyl-N'-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]sulfamide; Sulfamide, N-((2R)-1,4-dioxan-2-ylmethyl)-N-methyl-N'-(3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo(4,5)cyclohepta(1,2-b)pyridin-7-yl)-; Sulfamide, N-[(2R)-1,4-dioxan-2-ylmethyl]-N-methyl-N'-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-; SCHEMBL93526; GTPL7962; CHEMBL1802916; CHEMBL1822792; SYN1149; EX-A1566; 2549AH; BDBM50347659; NSC764580; NSC800795; s2774; ZINC34842284; CCG-264723; CS-5537; MK 2461;MK2461; NSC-764580; NSC-800795; NCGC00346695-01; NCGC00346695-02; NCGC00346695-05; AC-32072; AS-16288; HY-50703; SW219905-1; Q27086785; 14-[[[(2R)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]amino]-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene; 9-[[[(2R)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]amino]-2-(1-methylpyrazol-4-yl)-11-oxobenzo[1,2]cyclohepta[2,4-b]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764580	.	.	.	.	495.6	C24H25N5O5S	124	895	1.2	35	1	9	6	"InChI=1S/C24H25N5O5S/c1-28-13-18(12-26-28)17-9-22-23(25-11-17)6-4-16-3-5-19(10-21(16)24(22)30)27-35(31,32)29(2)14-20-15-33-7-8-34-20/h3-6,9-13,20,27H,7-8,14-15H2,1-2H3/t20-/m1/s1"	CN1C=C(C=N1)C2=CC3=C(C=CC4=C(C3=O)C=C(C=C4)NS(=O)(=O)N(C)C[C@@H]5COCCO5)N=C2	JGEBLDKNWBUGRZ-HXUWFJFHSA-N
DG66643	"methyl 10H-thieno[2,3-a]carbazole-4-carboxylate"	44139294	NSC740204; NSC-740204	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740204	.	.	.	.	281.3	C16H11NO2S	70.3	402	4.3	20	1	3	2	"InChI=1S/C16H11NO2S/c1-19-16(18)12-8-11-9-4-2-3-5-13(9)17-14(11)15-10(12)6-7-20-15/h2-8,17H,1H3"	COC(=O)C1=C2C=CSC2=C3C(=C1)C4=CC=CC=C4N3	VOIGBELPYFZGEV-UHFFFAOYSA-N
DG66644	"N-[2-(dimethylamino)ethyl]-11H-pyrido[2,3-a]carbazole-5-carboxamide"	44139298	CHEMBL551415; NSC741236; NSC-741236	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741236	.	.	.	.	332.4	C20H20N4O	61	482	3	25	2	3	4	"InChI=1S/C20H20N4O/c1-24(2)11-10-22-20(25)16-12-15-13-6-3-4-8-17(13)23-19(15)18-14(16)7-5-9-21-18/h3-9,12,23H,10-11H2,1-2H3,(H,22,25)"	CN(C)CCNC(=O)C1=C2C=CC=NC2=C3C(=C1)C4=CC=CC=C4N3	GKWOMDIWAUKWNX-UHFFFAOYSA-N
DG66645	"8-chloro-N-[2-(dimethylamino)ethyl]-11H-pyrido[2,3-a]carbazole-5-carboxamide"	44139299	CHEMBL562968; NSC741237; NSC-741237	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741237	.	.	.	.	366.8	C20H19ClN4O	61	516	3.6	26	2	3	4	"InChI=1S/C20H19ClN4O/c1-25(2)9-8-23-20(26)16-11-15-14-10-12(21)5-6-17(14)24-19(15)18-13(16)4-3-7-22-18/h3-7,10-11,24H,8-9H2,1-2H3,(H,23,26)"	CN(C)CCNC(=O)C1=C2C=CC=NC2=C3C(=C1)C4=C(N3)C=CC(=C4)Cl	AUDVSBATFORCND-UHFFFAOYSA-N
DG66646	"1-Piperazinepropionamide, dimaleate"	44144400	"NSC-78714; 1-Piperazinepropionamide, dimaleate; NSC78714; P 4385B; 1-Piperazinepropionamide, maleate (1:2); 1-Piperazinepropanamide, (E)-, (Z)-2-butenedioate (1:2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	78714	.	.	.	.	558.1	C28H32ClN3O5S	136	726	.	38	3	8	8	"InChI=1S/C24H28ClN3OS.C4H4O4/c1-26-24(29)10-12-28-15-13-27(14-16-28)11-4-6-19-20-5-2-3-7-22(20)30-23-9-8-18(25)17-21(19)23;5-3(6)1-2-4(7)8/h2-3,5-9,17H,4,10-16H2,1H3,(H,26,29);1-2H,(H,5,6)(H,7,8)/b19-6+;2-1-"	CNC(=O)CCN1CCN(CC1)CC/C=C/2\\C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C\\C(=O)O)\\C(=O)O	LNIQTKMWLVBWMX-LRAAMCGYSA-N
DG66647	Debio 0932	44156921	"1061318-81-7; Debio 0932; CUDC-305; DEBIO-0932; Debio-0932 (CUDC305); UNII-0V278OKN9G; 0V278OKN9G; 2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine; CHEMBL2419346; Debio 0932 ,CUDC-305; 1H-Imidazo[4,5-c]pyridine-1-ethanamine, 4-amino-2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]thio]-N-(2,2-dimethylpropyl)-; CUDC 305; Cudc305 (hsp90 inhibitor); Hsp90 inhibitor debio 0932; SCHEMBL2995626; CUDC-305,Debio 0932; DTXSID10657665; CUDC-305, Debio 0932; AOB87387; BCP27980; EX-A1555; BDBM50439622; NSC761194; ZINC72315658; CUDC-305(DEBIO 0932); CS-5630; NSC-761194; SB17222; NCGC00387824-03; AS-17028; HY-13469; Debio0932; Debio-0932; CUDC305; CUDC-305; CUDC 305; 2-((6-(dimethylamino)benzo[d][1,3]dioxol-5-yl)thio)-1-(2-(neopentylamino)ethyl)-1H-imidazo[4,5-c]pyridin-4-amine; 2-(6-(Dimethylamino)benoz[d][1,3]dioxol-5-yl-thio)-1-(2-neopentylamino)ethyl)-1H-imidazo[4,5-c]pyridin-4-amine; 2-(6-(Dimethylamino)benzo[d][1,3]dioxol-5-ylthio)-1-(2-(neopentylamino) ethyl)-1H-imidazo[4,5-c]pyridin-4-amine; 2-{[6-(Dimethylamino)-2H-1,3-benzodioxol-5-yl]sulfanyl}-1-{2-[(2,2-dimethylpropyl)amino]ethyl}-1H-imidazo[4,5-c]pyridin-4-amine; EOR"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761194	.	.	.	.	442.6	C22H30N6O2S	116	591	3.6	31	2	8	8	"InChI=1S/C22H30N6O2S/c1-22(2,3)12-24-8-9-28-14-6-7-25-20(23)19(14)26-21(28)31-18-11-17-16(29-13-30-17)10-15(18)27(4)5/h6-7,10-11,24H,8-9,12-13H2,1-5H3,(H2,23,25)"	CC(C)(C)CNCCN1C2=C(C(=NC=C2)N)N=C1SC3=CC4=C(C=C3N(C)C)OCO4	RVJIQAYFTOPTKK-UHFFFAOYSA-N
DG66649	"2,4-Bis(methylhydroxyamino)-6-morpholino-1,3,5-triazine"	44186462	"CHEMBL611341; NSC746616; NSC-746616; 2,4-Bis(methylhydroxyamino)-6-morpholino-1,3,5-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746616	.	.	.	.	256.26	C9H16N6O3	98.1	249	0	18	2	9	3	"InChI=1S/C9H16N6O3/c1-13(16)7-10-8(14(2)17)12-9(11-7)15-3-5-18-6-4-15/h16-17H,3-6H2,1-2H3"	CN(C1=NC(=NC(=N1)N2CCOCC2)N(C)O)O	JVZLNSBVPMBHGF-UHFFFAOYSA-N
DG66651	Snx-5422	44195571	"908115-27-5; SNX-5422; PF-04929113; SNX 5422; PF 04929113; SNX5422; PF-4929113; UNII-BF52J69Q8T; PF-04929113 (SNX-5422); PF-04929113 free base; PF04929113; BF52J69Q8T; 908115-27-5 (free base); (1r,4r)-4-((2-carbamoyl-5-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)phenyl)amino)cyclohexyl glycinate; [4-[2-carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]anilino]cyclohexyl] 2-aminoacetate; 908116-67-6; Glycine, 4-[[2-(aminocarbonyl)-5-[4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-3-(trifluoromethyl)-1H-indazol-1-yl]phenyl]amino]cyclohexyl ester; MLS006011083; SCHEMBL1220790; SCHEMBL1220791; CHEMBL1195136; SCHEMBL15604989; DTXSID50238270; C25H30F3N5O4; BCPP000065; HMS3656B09; BCP02427; EX-A2343; BDBM50514916; NSC768509; s2656; ZINC95616595; AKOS027276395; ZINC100071931; ZINC252517142; CCG-269865; CS-0272; DB06070; NSC-768509; SB16643; NCGC00346640-01; NCGC00346640-04; NCGC00386184-02; Glycine, trans-4-((2-(aminocarbonyl)-5-(4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-3-(trifluoromethyl)-1H-indazol-1-yl)phenyl)amino)cyclohexyl ester; HY-10213; SMR004702871; SW220153-1; X7589; SNX-5422(PF04929113); PF-0492911 - SNX-5422; PF-04929113; SNX-5422; A857805; J-521414; BRD-K73197500-066-01-7; Q27274626; (1r,4r)-4-((2-carbamoyl-5-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)phenyl)amino)cyclohexyl 2-aminoacetate; Glycine Trans-4-((2-(aminocarbonyl)-5-(4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-3-(trifluoromethyl)-1h-indazol-1-yl)phenyl)amino)cycloh exyl ester; Glycine trans-4-[[2-(aminocarbonyl)-5-[4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-3-(trifluoromethyl)-1H-indazol-1-yl]phenyl]amino]cyclohexyl ester;PF-04929113; SNX-5422; ; ; [4-[2-Carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]anilino]cyclohexyl] 2-aminoacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768509	.	.	.	.	521.5	C25H30F3N5O4	142	877	3.5	37	3	10	7	"InChI=1S/C25H30F3N5O4/c1-24(2)10-18-21(19(34)11-24)22(25(26,27)28)32-33(18)14-5-8-16(23(30)36)17(9-14)31-13-3-6-15(7-4-13)37-20(35)12-29/h5,8-9,13,15,31H,3-4,6-7,10-12,29H2,1-2H3,(H2,30,36)"	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)OC(=O)CN)C(F)(F)F)C	AVDSOVJPJZVBTC-UHFFFAOYSA-N
DG66652	NSC744331	44204058	"(2R,11aS)-C2-di-Fluoro-7-Methoxy-5-oxo-2,3,5,11a-tetrahydro-1-H-benzo[e]-pyrrolo[1,2-a][1,4]diazepine-8-yl}propyl)piperazino]propoxy}-C2-di-fluoro-7-Methoxy-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2a][1,4]diazepin-5one; CHEMBL446531; NSC744331; NSC-744331; (2R,11aS)-C2-di-Fluoro-7-Methoxy-5-oxo-2,3,5,11a-tetrahydro-1-H-benzo[e]-pyrrolo[1,2-a][1,4]diazepine-8-yl}propyl)piperazino]propoxy}-C2-di-fluoro-7-Methoxy-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2a][1,4]diazepin-5one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744331	.	.	.	.	730.7	C36H42F4N6O6	109	1240	3.1	52	0	14	12	"InChI=1S/C36H42F4N6O6/c1-49-29-13-25-27(41-19-23-17-35(37,38)21-45(23)33(25)47)15-31(29)51-11-3-5-43-7-9-44(10-8-43)6-4-12-52-32-16-28-26(14-30(32)50-2)34(48)46-22-36(39,40)18-24(46)20-42-28/h13-16,19-20,23-24H,3-12,17-18,21-22H2,1-2H3/t23-,24-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CC(C[C@H]3C=N2)(F)F)OCCCN4CCN(CC4)CCCOC5=C(C=C6C(=C5)N=C[C@@H]7CC(CN7C6=O)(F)F)OC	KYPJBYKWBGJIRJ-ZEQRLZLVSA-N
DG66653	"2-{4-[4-(4-{4-[6-(4-methyl piperazino)-1H-benzo[d]imidazole-2-yl]phenoxy}butyl)piperazino]butyl}-2,3-dione"	44218964	"NSC743430; NSC-743430; 2-{4-[4-(4-{4-[6-(4-methyl piperazino)-1H-benzo[d]imidazole-2-yl]phenoxy}butyl)piperazino]butyl}-2,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743430	.	.	.	.	699.9	C42H49N7O3	88.2	1140	6.3	52	1	8	13	"InChI=1S/C42H49N7O3/c1-45-21-27-48(28-22-45)33-14-17-37-38(30-33)44-40(43-37)32-12-15-34(16-13-32)52-29-5-4-19-47-25-23-46(24-26-47)18-2-3-20-49-41(50)35-10-6-8-31-9-7-11-36(39(31)35)42(49)51/h6-17,30H,2-5,18-29H2,1H3,(H,43,44)"	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OCCCCN5CCN(CC5)CCCCN6C(=O)C7=CC=CC8=C7C(=CC=C8)C6=O	MWKCVFBPBQWGJM-UHFFFAOYSA-N
DG66654	"2-{4-[4-(4-{4-[6-morpholino-1H-benzo[d]imidazole-2-yl]phenoxy}butyl)piperazino]butyl}-2,3-dione"	44219117	"NSC743431; NSC-743431; 2-{4-[4-(4-{4-[6-morpholino-1H-benzo[d]imidazole-2-yl]phenoxy}butyl)piperazino]butyl}-2,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743431	.	.	.	.	686.8	C41H46N6O4	94.2	1110	6.1	51	1	8	13	"InChI=1S/C41H46N6O4/c48-40-34-9-5-7-30-8-6-10-35(38(30)34)41(49)47(40)19-2-1-17-44-20-22-45(23-21-44)18-3-4-26-51-33-14-11-31(12-15-33)39-42-36-16-13-32(29-37(36)43-39)46-24-27-50-28-25-46/h5-16,29H,1-4,17-28H2,(H,42,43)"	C1CN(CCN1CCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CCCCOC5=CC=C(C=C5)C6=NC7=C(N6)C=C(C=C7)N8CCOCC8	INRUQJPTZWXKRO-UHFFFAOYSA-N
DG66655	"2-{5-[4-(5-{4-[6-morpholino-1H-benzo[d]imidazole-2-yl]phenoxy}pentyl)piperazino]pentyl}-2,3-dione"	44219118	"NSC743432; NSC-743432; 2-{5-[4-(5-{4-[6-morpholino-1H-benzo[d]imidazole-2-yl]phenoxy}pentyl)piperazino]pentyl}-2,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743432	.	.	.	.	714.9	C43H50N6O4	94.2	1140	6.8	53	1	8	15	"InChI=1S/C43H50N6O4/c50-42-36-11-7-9-32-10-8-12-37(40(32)36)43(51)49(42)21-5-1-3-19-46-22-24-47(25-23-46)20-4-2-6-28-53-35-16-13-33(14-17-35)41-44-38-18-15-34(31-39(38)45-41)48-26-29-52-30-27-48/h7-18,31H,1-6,19-30H2,(H,44,45)"	C1CN(CCN1CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CCCCCOC5=CC=C(C=C5)C6=NC7=C(N6)C=C(C=C7)N8CCOCC8	QUMCMHPFOMJAAK-UHFFFAOYSA-N
DG66656	1-Benzyl-3-hexadecyl-2-methylimidazolium chloride	44219704	SCHEMBL4366986; NSC745343; NSC-745343; 1-Benzyl-3-hexadecyl-2-methylimidazolium chloride; 1-benzyl-2-methyl-3-hexadecyl imidazolium chloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745343	.	.	.	.	433.1	C27H45ClN2	8.8	364	.	30	0	1	17	"InChI=1S/C27H45N2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-28-23-24-29(26(28)2)25-27-20-17-16-18-21-27;/h16-18,20-21,23-24H,3-15,19,22,25H2,1-2H3;1H/q+1;/p-1"	CCCCCCCCCCCCCCCCN1C=C[N+](=C1C)CC2=CC=CC=C2.[Cl-]	JFPBEFJMCFNEEH-UHFFFAOYSA-M
DG66657	NSC744336	44224281	"(11aS)-7-methoxy-8-(4-2-methoxy-4-[5-(3,5-trimethoxyphenyl)-4,5-dihydro-3-isoxazolyl]phenoxybutoxy)-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one; NSC744336; NSC-744336; (11aS)-7-methoxy-8-(4-2-methoxy-4-[5-(3,5-trimethoxyphenyl)-4,5-dihydro-3-isoxazolyl]phenoxybutoxy)-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744336	.	.	.	.	659.7	C36H41N3O9	119	1090	4.7	48	0	11	14	"InChI=1S/C36H41N3O9/c1-41-30-15-22(26-19-29(48-38-26)23-16-33(43-3)35(45-5)34(17-23)44-4)10-11-28(30)46-13-6-7-14-47-32-20-27-25(18-31(32)42-2)36(40)39-12-8-9-24(39)21-37-27/h10-11,15-18,20-21,24,29H,6-9,12-14,19H2,1-5H3/t24-,29 /m0/s1"	COC1=CC(=CC(=C1OC)OC)C2CC(=NO2)C3=CC(=C(C=C3)OCCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC)OC	JNOMYAFGRADGOL-CTLOQAHHSA-N
DG66658	14-methoxy-epothilone D	44225568	14-methoxy-epothilone D; CHEMBL3426551; (14S)-14-Methoxyepothilone D; NSC753573; NSC-753573	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753573	.	.	.	.	521.7	C28H43NO6S	134	825	4.4	36	2	8	3	"InChI=1S/C28H43NO6S/c1-16-10-9-11-17(2)25(32)19(4)27(33)28(6,7)23(30)14-24(31)35-26(22(12-16)34-8)18(3)13-21-15-36-20(5)29-21/h12-13,15,17,19,22-23,25-26,30,32H,9-11,14H2,1-8H3/b16-12-,18-13+/t17-,19+,22-,23-,25-,26+/m0/s1"	C[C@H]1CCC/C(=C\\[C@@H]([C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/C)OC)/C	HQZJRAPNHNYEMZ-UPBMFQQMSA-N
DG66659	"3-[(2-Methyl-1,4-dioxo-1,4-dihydronaphthalene-3-yl)thio]propanoic acid 2-[[3-(phenyltelluro)propyl]amino]-2-oxoethyl ester"	44226543	"CHEMBL3309875; NSC750912; NSC-750912; 2-Oxo-2-(3-phenyltellanyl)propylamino)ethyl 3-(3-methyl-1,4-dihydronaphthalen-2-ylthio)propanoate; 3-[(2-Methyl-1,4-dioxo-1,4-dihydronaphthalene-3-yl)thio]propanoic acid 2-[[3-(phenyltelluro)propyl]amino]-2-oxoethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750912	.	.	.	.	579.1	C25H25NO5STe	115	762	.	33	1	6	12	"InChI=1S/C25H25NO5STe/c1-17-23(29)19-10-5-6-11-20(19)24(30)25(17)32-14-12-22(28)31-16-21(27)26-13-7-15-33-18-8-3-2-4-9-18/h2-6,8-11H,7,12-16H2,1H3,(H,26,27)"	CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCC(=O)OCC(=O)NCCC[Te]C3=CC=CC=C3	SUQXITVMRWOPMJ-UHFFFAOYSA-N
DG66660	NSC750227	44226544	"N-(4-Methoxyphenyl)-N-[2-[[3-(phenyltelluro)propyl]amino]-2-oxoethyl]-3-[(2-methyl-1,4-dioxo-1,4-dihydronaphthalene-3-yl)thio]propanamide; CHEMBL3309874; NSC750227; NSC-750227; N-(4-Methoxyphenyl)-N-[2-[[3-(phenyltelluro)propyl]amino]-2-oxoethyl]-3-[(2-methyl-1,4-dioxo-1,4-dihydronaphthalene-3-yl)thio]propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750227	.	.	.	.	684.3	C32H32N2O5STe	118	958	.	41	1	6	13	"InChI=1S/C32H32N2O5STe/c1-22-30(37)26-11-6-7-12-27(26)31(38)32(22)40-19-17-29(36)34(23-13-15-24(39-2)16-14-23)21-28(35)33-18-8-20-41-25-9-4-3-5-10-25/h3-7,9-16H,8,17-21H2,1-2H3,(H,33,35)"	CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCC(=O)N(CC(=O)NCCC[Te]C3=CC=CC=C3)C4=CC=C(C=C4)OC	PSUFXDQNZRLCKA-UHFFFAOYSA-N
DG66661	NSC744016	44226901	"(11aS)-7-methoxy-8-4-[2-(2-thienyl)-1H-benzo[d]imidazol-1-yl]butoxy-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one; CHEMBL258839; SCHEMBL2290003; NSC744016; NSC-744016; (11aS)-7-methoxy-8-4-[2-(2-thienyl)-1H-benzo[d]imidazol-1-yl]butoxy-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744016	.	.	.	.	500.6	C28H28N4O3S	97.2	799	4.3	36	0	6	8	"InChI=1S/C28H28N4O3S/c1-34-24-16-20-22(29-18-19-8-6-13-31(19)28(20)33)17-25(24)35-14-5-4-12-32-23-10-3-2-9-21(23)30-27(32)26-11-7-15-36-26/h2-3,7,9-11,15-19H,4-6,8,12-14H2,1H3/t19-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OCCCCN4C5=CC=CC=C5N=C4C6=CC=CS6	MQADZBPHRACIML-IBGZPJMESA-N
DG66662	NSC744327	44227294	"(6aS)-3-[3-[4-[(E)-3-(2,4-dimethylquinolin-3-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]propoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one; NSC744327; NSC-744327"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744327	.	.	.	.	619.7	C37H37N3O6	99.6	1100	5.9	46	0	8	11	"InChI=1S/C37H37N3O6/c1-23-27-10-5-6-11-29(27)39-24(2)36(23)31(41)14-12-25-13-15-32(33(19-25)43-3)45-17-8-18-46-35-21-30-28(20-34(35)44-4)37(42)40-16-7-9-26(40)22-38-30/h5-6,10-15,19-22,26H,7-9,16-18H2,1-4H3/b14-12+/t26-/m0/s1"	CC1=C(C(=NC2=CC=CC=C12)C)C(=O)/C=C/C3=CC(=C(C=C3)OCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC)OC	VRFNOEICKIYEAD-FIUWIIBXSA-N
DG66663	NSC744989	44227495	"(6aS)-3-[4-[4-[(E)-3-(2,4-dimethylquinolin-3-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]butoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one; NSC744989; NSC-744989"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744989	.	.	.	.	633.7	C38H39N3O6	99.6	1120	6.2	47	0	8	12	"InChI=1S/C38H39N3O6/c1-24-28-11-5-6-12-30(28)40-25(2)37(24)32(42)15-13-26-14-16-33(34(20-26)44-3)46-18-7-8-19-47-36-22-31-29(21-35(36)45-4)38(43)41-17-9-10-27(41)23-39-31/h5-6,11-16,20-23,27H,7-10,17-19H2,1-4H3/b15-13+/t27-/m0/s1"	CC1=C(C(=NC2=CC=CC=C12)C)C(=O)/C=C/C3=CC(=C(C=C3)OCCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC)OC	VXLMCALNWIFZOP-RFYAYMHSSA-N
DG66664	"Pyrazolo[4,3-h]quinazoline-3-carboxamide, 29"	44236107	"CHEMBL564884; BDBM31546; NSC774830; NSC-774830; pyrazolo[4,3-h]quinazoline-3-carboxamide, 29"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774830	.	.	.	.	460.6	C25H32N8O	91.2	726	2.8	34	2	7	4	"InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-7-6-8-18(13-17)33-11-9-31(4)10-12-33/h6-8,13,15H,9-12,14H2,1-5H3,(H,26,34)(H,27,28,29)"	CC1(CC2=CN=C(N=C2C3=C1C(=NN3C)C(=O)NC)NC4=CC(=CC=C4)N5CCN(CC5)C)C	WXCBCOGGWQFFHG-UHFFFAOYSA-N
DG66665	4-(2-fluoro-4-(3-(2-phenylacetyl)thioureido)phenoxy)-7-methoxy-N-methylquinoline-6-carboxamide	44247727	"TAS-115; 1190836-34-0; pamufetinib; TAS-115 free base; UNII-H2OL3Q4XRD; H2OL3Q4XRD; 4-(2-fluoro-4-(3-(2-phenylacetyl)thioureido)phenoxy)-7-methoxy-N-methylquinoline-6-carboxamide; TAS115; CHEMBL3764045; TAS 115; 1190836-34-0 (free base); 4-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide; SCHEMBL1132590; TAS 115 [WHO-DD]; GTPL10460; BCP34014; EX-A2850; TAS 115, TAS115; Pamufetinib; BDBM50146163; NSC785306; s6764; ZB1546; ZINC115306389; CS-6820; NSC-785306; SB16885; HY-12423; J3.455.867A; A935727; 4-(2-Fluoro-4-((((2-phenylacetyl)amino)thioxomethyl)amino)phenoxy)-7-methoxy-N-methyl-6-quinolinecarboxamide; 4-[2-fluoro-4-[[[(2-phenylacetyl)amino]thioxomethyl]amino]-phenoxy]-7-methoxy-N-methyl-6-quinolinecarboxamide; 6-Quinolinecarboxamide, 4-(2-fluoro-4-((((2-phenylacetyl)amino)thioxomethyl)amino)phenoxy)-7-methoxy-N-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785306	.	.	.	.	518.6	C27H23FN4O4S	134	798	4.6	37	3	7	7	"InChI=1S/C27H23FN4O4S/c1-29-26(34)19-14-18-21(15-24(19)35-2)30-11-10-22(18)36-23-9-8-17(13-20(23)28)31-27(37)32-25(33)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,29,34)(H2,31,32,33,37)"	CNC(=O)C1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4)F	ORRNXRYWGDUDOG-UHFFFAOYSA-N
DG66666	"N-(1-Benzyl-1H-indazole-5-yl)-6,7-dimethoxyquinazoline-4-amine"	44279443	"CHEMBL416031; GW282449A; SCHEMBL8555349; BDBM50099960; NSC756202; NSC-756202; NCGC00242173-01; AB01092264-01; (1-Benzyl-1H-indazol-5-yl)-(6,7-dimethoxy-quinazolin-4-yl)-amine; N-(1-Benzyl-1H-indazole-5-yl)-6,7-dimethoxyquinazoline-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756202	.	.	.	.	411.5	C24H21N5O2	74.1	574	4.6	31	1	6	6	"InChI=1S/C24H21N5O2/c1-30-22-11-19-20(12-23(22)31-2)25-15-26-24(19)28-18-8-9-21-17(10-18)13-27-29(21)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,25,26,28)"	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N(N=C4)CC5=CC=CC=C5)OC	YILRBOLKDDWRKU-UHFFFAOYSA-N
DG66667	9-Amino-10-methoxy-20(S)-camptothecin	44315435	"CHEMBL76581; NSC603075; NSC-603075; 9-Amino-10-methoxy-20(S)-camptothecin; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 10-amino-4-ethyl-4-hydroxy-9-methoxy-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603075	.	.	.	.	393.4	C21H19N3O5	115	823	0.3	29	2	7	2	"InChI=1S/C21H19N3O5/c1-3-21(27)13-7-15-18-10(8-24(15)19(25)12(13)9-29-20(21)26)6-11-14(23-18)4-5-16(28-2)17(11)22/h4-7,27H,3,8-9,22H2,1-2H3/t21-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5N)OC)N=C4C3=C2)O	PIFKODMCMZLGGP-NRFANRHFSA-N
DG66668	9-Acetamido-10-hydroxy-20-(S)-camptothecin	44315616	"CHEMBL307206; NSC603077; NSC-603077; 9-Acetamido-10-hydroxy-20-(S)-camptothecin; Acetamide, N-[4-ethyl-3,4,12,14-tetrahydro-4,9-dihydroxy- 3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin- 10-yl]-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603077	.	.	.	.	421.4	C22H19N3O6	129	913	-0.2	31	3	7	2	"InChI=1S/C22H19N3O6/c1-3-22(30)14-7-16-18-11(8-25(16)20(28)13(14)9-31-21(22)29)6-12-15(24-18)4-5-17(27)19(12)23-10(2)26/h4-7,27,30H,3,8-9H2,1-2H3,(H,23,26)/t22-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5NC(=O)C)O)N=C4C3=C2)O	BGTVYLPIJYUNCW-QFIPXVFZSA-N
DG66669	Antineoplastic-616241	44324259	"CHEMBL545250; CHEMBL1193785; ANTINEOPLASTIC-616241; BDBM50045362; NSC616241; NSC-616241; Camptothecin, 10,11-methylenedioxy-20(RS)-20-glycinyl-, hydrochloride; (20RS)-7-ethyl-8,11-dioxo-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[5,4-g]pyrano[3'',4'':6,7]indolizino[1,2-b]quinolin-7-yl 2-aminoacetate; hydrochloride; Glycine, 7-ethyl-7,8,10a,11-tetrahydro-8,11-dioxo-10H- 1,3-dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b] quinolin-7-yl ester, hydrochloride (5:7) (+-)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	616241	.	.	.	.	449.4	C23H19N3O7	130	977	0.5	33	1	9	4	"InChI=1S/C23H19N3O7/c1-2-23(33-19(27)7-24)14-5-16-20-12(8-26(16)21(28)13(14)9-30-22(23)29)3-11-4-17-18(32-10-31-17)6-15(11)25-20/h3-6H,2,7-10,24H2,1H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C6C(=CC5=C4)OCO6)OC(=O)CN	ZCVLTIWFTLQSTM-UHFFFAOYSA-N
DG66670	"6-(3-Chloropropyl)-5,9-methylenedioxy-5,11-dioxo-3-nitro-11H-indeno[1,2-c]isoquinoline"	44346870	"CHEMBL120835; SCHEMBL13924023; NSC729812; NSC-729812; 6-(3-Chloropropyl)-5,9-methylenedioxy-5,11-dioxo -3-nitro-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729812	.	.	.	.	412.8	C20H13ClN2O6	102	779	3	29	0	6	3	"InChI=1S/C20H13ClN2O6/c21-4-1-5-22-18-12-7-15-16(29-9-28-15)8-13(12)19(24)17(18)11-3-2-10(23(26)27)6-14(11)20(22)25/h2-3,6-8H,1,4-5,9H2"	C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCCl	SDOYHGOHOXTXFO-UHFFFAOYSA-N
DG66671	"2-[(Dimethylamino)-1-ethyl]-5,3-dimethoxy-8,9-me thylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Formic Acid"	44369013	"CHEMBL152835; NSC724994; NSC-724994; 2-[(Dimethylamino)-1-ethyl]-5,3-dimethoxy-8,9-me thylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Formic Acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724994	.	.	.	.	468.5	C24H24N2O8	115	792	.	34	1	9	5	"InChI=1S/C23H22N2O6.CH2O2/c1-24(2)5-6-25-21-13-8-18-19(31-11-30-18)9-14(13)22(26)20(21)12-7-16(28-3)17(29-4)10-15(12)23(25)27;2-1-3/h7-10H,5-6,11H2,1-4H3;1H,(H,2,3)"	CN(C)CCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5.C(=O)O	KYHDBWFLNAWQFU-UHFFFAOYSA-N
DG66672	"Hydrazinecarbothioamide,N-dimethyl-2-[1-(2-pyridinyl)-ethylidene]-, N-oxide"	44384025	"CHEMBL173323; NSC351078; NSC-351078; Hydrazinecarbothioamide,N-dimethyl-2-[1-(2-pyridinyl)- ethylidene]-, N-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	351078	.	.	.	.	238.31	C10H14N4OS	83.5	396	2.1	16	1	4	1	"InChI=1S/C10H14N4OS/c1-8(11-12-10(16)13(2)3)9-6-4-5-7-14(9)15/h4-7,15H,1-3H3/b9-8-,12-11 "	C/C(=C/1\\C=CC=CN1O)/N=NC(=S)N(C)C	XIKVPEAAQLDJNN-RIWCBFQCSA-N
DG66673	"3-(5-Hydroxy-indan-1-ylidene)-1,3-dihydro-indol-2-one"	44386338	"CHEMBL175321; HMS3303J13; HMS3305P23; BDBM50142023; NSC756130; GR-105659X; NSC-756130; AB01092193-01; 3-(5-Hydroxy-indan-1-ylidene)-1,3-dihydro-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756130	.	.	.	.	263.29	C17H13NO2	49.3	456	2.5	20	2	2	0	"InChI=1S/C17H13NO2/c19-11-6-8-12-10(9-11)5-7-13(12)16-14-3-1-2-4-15(14)18-17(16)20/h1-4,6,8-9,19H,5,7H2,(H,18,20)/b16-13-"	C1C/C(=C/2\\C3=CC=CC=C3NC2=O)/C4=C1C=C(C=C4)O	VZCJCGYMMSXPBM-SSZFMOIBSA-N
DG66674	"4-(4-Ethoxy-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-furazan-3-ylamine"	44396990	"CHEMBL188240; SB-737198; SCHEMBL4716156; HMS3303B11; HMS3305B02; BDBM50168863; NSC756477; NSC-756477; NCGC00242031-01; AB01092104-01; 4-(4-Ethoxy-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-furazan-3-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756477	.	.	.	.	274.28	C12H14N6O2	105	333	0.5	20	1	7	4	"InChI=1S/C12H14N6O2/c1-3-18-7-5-6-14-12(19-4-2)8(7)15-11(18)9-10(13)17-20-16-9/h5-6H,3-4H2,1-2H3,(H2,13,17)"	CCN1C2=C(C(=NC=C2)OCC)N=C1C3=NON=C3N	ATTRJLKUPUIICC-UHFFFAOYSA-N
DG66675	"4-(1,4-Diethyl-1H-imidazo[4,5-c]pyridin-2-yl)-furazan-3-ylamine"	44397147	"CHEMBL365072; SB-751148; HMS3303G08; HMS3305H02; BDBM50168865; NSC756488; NSC-756488; NCGC00241989-01; AB01092107-01; 4-(1,4-Diethyl-1H-imidazo[4,5-c]pyridin-2-yl)-furazan-3-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756488	.	.	.	.	258.279	C12H14N6O	95.6	317	0.7	19	1	6	3	"InChI=1S/C12H14N6O/c1-3-7-9-8(5-6-14-7)18(4-2)12(15-9)10-11(13)17-19-16-10/h5-6H,3-4H2,1-2H3,(H2,13,17)"	CCC1=NC=CC2=C1N=C(N2CC)C3=NON=C3N	GMCZGAWPMLORCQ-UHFFFAOYSA-N
DG66676	"4-(1-Cyclopropyl-1H-imidazo[4,5-c]pyridin-2-yl)-furazan-3-ylamine"	44397250	"SB-736302; CHEMBL185962; SCHEMBL4718814; HMS3303G24; HMS3305N21; BDBM50168577; NSC756476; AKOS015064470; NSC-756476; NCGC00242225-01; NCGC00242225-02; AB01092102-01; 4-(1-Cyclopropyl-1H-imidazo[4,5-c]pyridin-2-yl)-furazan-3-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756476	.	.	.	.	242.24	C11H10N6O	95.6	325	0	18	1	6	2	"InChI=1S/C11H10N6O/c12-10-9(15-18-16-10)11-14-7-5-13-4-3-8(7)17(11)6-1-2-6/h3-6H,1-2H2,(H2,12,16)"	C1CC1N2C3=C(C=NC=C3)N=C2C4=NON=C4N	CTCKXCOHXZAARD-UHFFFAOYSA-N
DG66677	"4-[1-(4-Aminomethyl-phenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-furazan-3-ylamine"	44397453	"CHEMBL188268; SB-750140; SCHEMBL4714617; HMS3303A19; HMS3305M02; BDBM50168862; NSC756487; NSC-756487; NCGC00242140-01; AB01092106-01; 4-[1-(4-Aminomethyl-phenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-furazan-3-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756487	.	.	.	.	307.31	C15H13N7O	122	403	0.1	23	2	7	3	"InChI=1S/C15H13N7O/c16-7-9-1-3-10(4-2-9)22-12-5-6-18-8-11(12)19-15(22)13-14(17)21-23-20-13/h1-6,8H,7,16H2,(H2,17,21)"	C1=CC(=CC=C1CN)N2C3=C(C=NC=C3)N=C2C4=NON=C4N	AFDUEISTJMYVSO-UHFFFAOYSA-N
DG66678	"4-[1-(3-Dimethylamino-propyl)-1H-imidazo[4,5-c]pyridin-2-yl]-furazan-3-ylamine"	44397710	"CHEMBL191105; SB-751399; HMS3303B02; HMS3305A01; BDBM50168852; NSC756489; NSC-756489; NCGC00241906-01; AB01092108-01; 4-[1-(3-Dimethylamino-propyl)-1H-imidazo[4,5-c]pyridin-2-yl]-furazan-3-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756489	.	.	.	.	287.32	C13H17N7O	98.9	343	-0.1	21	1	7	5	"InChI=1S/C13H17N7O/c1-19(2)6-3-7-20-10-4-5-15-8-9(10)16-13(20)11-12(14)18-21-17-11/h4-5,8H,3,6-7H2,1-2H3,(H2,14,18)"	CN(C)CCCN1C2=C(C=NC=C2)N=C1C3=NON=C3N	KFWBJWDHALYVMK-UHFFFAOYSA-N
DG66679	"5,3-dimethoxy-6-(3-dimethylamino-1-propyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	44409870	"CHEMBL383462; SCHEMBL15435097; NSC735152; NSC-735152; 5,3-dimethoxy-6-(3-dimethylamino-1-propyl)-5,11- dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735152	.	.	.	.	392.4	C23H24N2O4	59.1	688	2.7	29	0	5	6	"InChI=1S/C23H24N2O4/c1-24(2)10-7-11-25-21-14-8-5-6-9-15(14)22(26)20(21)16-12-18(28-3)19(29-4)13-17(16)23(25)27/h5-6,8-9,12-13H,7,10-11H2,1-4H3"	CN(C)CCCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC=CC=C42	MDJMZUNJPZVUIG-UHFFFAOYSA-N
DG66680	"5,3-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	44409873	"CHEMBL203582; NSC732936; NSC-732936; 5,3-methylenedioxy- 5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732936	.	.	.	.	376.4	C22H20N2O4	59.1	703	2.6	28	0	5	4	"InChI=1S/C22H20N2O4/c1-23(2)8-5-9-24-20-13-6-3-4-7-14(13)21(25)19(20)15-10-17-18(28-12-27-17)11-16(15)22(24)26/h3-4,6-7,10-11H,5,8-9,12H2,1-2H3"	CN(C)CCCN1C2=C(C3=CC4=C(C=C3C1=O)OCO4)C(=O)C5=CC=CC=C52	VCEDYYXAJUDJQQ-UHFFFAOYSA-N
DG66681	"5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	44409874	"CHEMBL382475; SCHEMBL15435098; NSC734872; NSC-734872; 5,11-dioxo- 11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734872	.	.	.	.	377.4	C21H19N3O4	86.4	711	2.6	28	0	5	4	"InChI=1S/C21H19N3O4/c1-22(2)10-5-11-23-19-15-6-3-4-7-16(15)20(25)18(19)14-9-8-13(24(27)28)12-17(14)21(23)26/h3-4,6-9,12H,5,10-11H2,1-2H3"	CN(C)CCCN1C2=C(C3=C(C1=O)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C42	YCDQHUBKHGAHLN-UHFFFAOYSA-N
DG66682	3-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamino)pyrimidin-5-yl)ethynyl)-N-methylbenzamide	44410704	CHEMBL207410; GW772405X; HMS3303G01; HMS3305E10; BDBM50182912; NSC756338; NSC-756338; NCGC00241895-01; AB01092139-01; 3-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamino)pyrimidin-5-yl)ethynyl)-N-methylbenzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756338	.	.	.	.	486.9	C27H20ClFN4O2	76.1	758	5.6	35	2	6	8	"InChI=1S/C27H20ClFN4O2/c1-30-27(34)20-6-2-4-18(12-20)8-9-21-15-31-17-32-26(21)33-23-10-11-25(24(28)14-23)35-16-19-5-3-7-22(29)13-19/h2-7,10-15,17H,16H2,1H3,(H,30,34)(H,31,32,33)"	CNC(=O)C1=CC=CC(=C1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl	KOOYTOMPIPMGEP-UHFFFAOYSA-N
DG66683	Dactinomycin D	44415057	"actinomycin D; Lyovac cosmegen; Actinomycin Aiv; Dactinomycin D; Oncostatin K; Actinomycin 7; Actinomycin X 1; HBF 386; Acto-D; Actinomycin C(sub1); Dilactone actinomycin D acid; Dilactone actinomycindioic D acid; NSC3053; Actinomycindioic D acid, dilactone; Actactinomycin A IV; Antibiotic from Streptomyces parvullus; X 97; 50-76-0; NSC-3053; Actinomycin-[threo-val-pro-sar-meval]; Actinomycin I(sub1); Actinomycin C (sub1); Actinomycin I (sub1); CHEMBL412030; CHEBI:131148; NCGC00090796-02; AB01273943-01; BRD-K72561299-001-01-7; Q27224934; WLN: 16- AN FVN IVN LVO PVM SVTJ G1 J1 KY1&1 N1 RY1&1; 2-amino-4,6-dimethyl-3-oxo-N1,N9-bis[(3R,6S,7S,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide; 3H-Phenoxazine-1, 2-amino-N,N'-bis[hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-4,6-dimethyl-3-oxo-; L-Valine,N'-[(2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-diyl)bis[carbonylimino[2-(1-hydroxyethyl)-1-oxo-2,1-ethanediyl]imino[2-(1-methylethyl)-1-oxo-2,1-ethanediyl]-1,2-pyrrolidinediylcarbonyl(methylimino)(1-oxo-2,1-ethanediyl)]]bis[N-methyl-, di-.xi.-lactone; Specific stereoisomer of N,6-dimethyl-3-oxo-3H-phenoxazine-1,9-diyl)bis[carbonylimino(2-hydroxypropylidene)carbonyliminoisobutylidenecarbonyl-1,2-pyrrolidinediylcarbonyl(methylimino)methylenecarbonyl]]bis[N-methyl-L-valine] dilactone; WLN: T C666 BO EV INJ D1 FZ N1 GVM- OT5-16- AN FVN IVN LVO PVM SVTJ G1 J1 KY1&1 N1 RY1&1& KVM- OT5-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3053	.	.	.	.	1255.4	C62H86N12O16	356	3030	3.8	90	5	18	8	"InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36-,37-,42+,43+,44-,45-,48-,49-/m0/s1"	C[C@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-GIUPLMLQSA-N
DG66684	(4-Benzyloxy-3-fluoro-phenyl)-{6-[5-(1-oxo-1lambda*4*-thiomorpholin-4-ylmethyl)-furan-2-yl]-quinazolin-4-yl}-amine	44416243	CHEMBL215716; BDBM50189113; NSC756268; NSC-756268; NCGC00241946-01; AB01092315-01; (4-benzyloxy-3-fluoro-phenyl)-{6-[5-(1-oxo-1lambda*4*-thiomorpholin-4-ylmethyl)-furan-2-yl]-quinazolin-4-yl}-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756268	.	.	.	.	542.6	C30H27FN4O3S	99.7	794	4.4	39	1	9	8	"InChI=1S/C30H27FN4O3S/c31-26-17-23(7-10-29(26)37-19-21-4-2-1-3-5-21)34-30-25-16-22(6-9-27(25)32-20-33-30)28-11-8-24(38-28)18-35-12-14-39(36)15-13-35/h1-11,16-17,20H,12-15,18-19H2,(H,32,33,34)"	C1CS(=O)CCN1CC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC=CC=C6)F	QLLLIGGXRUNRDR-UHFFFAOYSA-N
DG66685	"methyl 5-[(E)-2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxylate"	44418532	GW406731X; CHEMBL220243; HMS3303M05; HMS3305O15; NSC756223; NSC-756223; AB01092151-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756223	.	.	.	.	283.32	C17H17NO3	59.4	370	3.3	21	1	4	4	"InChI=1S/C17H17NO3/c1-11-6-15(19)7-12(2)16(11)5-4-13-8-14(10-18-9-13)17(20)21-3/h4-10,19H,1-3H3/b5-4+"	CC1=CC(=CC(=C1/C=C/C2=CC(=CN=C2)C(=O)OC)C)O	OEEUGRMNVFZVEG-SNAWJCMRSA-N
DG66686	"5-[(E)-2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxamide"	44418540	CHEMBL218088; GW435821X; HMS3303C19; HMS3305J02; BDBM50375251; NSC756233; NSC-756233; AB01092154-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756233	.	.	.	.	268.31	C16H16N2O2	76.2	358	2.4	20	2	3	3	"InChI=1S/C16H16N2O2/c1-10-5-14(19)6-11(2)15(10)4-3-12-7-13(16(17)20)9-18-8-12/h3-9,19H,1-2H3,(H2,17,20)/b4-3+"	CC1=CC(=CC(=C1/C=C/C2=CC(=CN=C2)C(=O)N)C)O	WJVCASAEBZAPDS-ONEGZZNKSA-N
DG66687	"tert-butyl 5-[(E)-2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxylate"	44418545	GW439255X; CHEMBL374060; HMS3303I20; HMS3305D22; NSC756234; NSC-756234; AB01092155-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756234	.	.	.	.	325.4	C20H23NO3	59.4	442	4.3	24	1	4	5	"InChI=1S/C20H23NO3/c1-13-8-17(22)9-14(2)18(13)7-6-15-10-16(12-21-11-15)19(23)24-20(3,4)5/h6-12,22H,1-5H3/b7-6+"	CC1=CC(=CC(=C1/C=C/C2=CC(=CN=C2)C(=O)OC(C)(C)C)C)O	TZPMELZXMICXNO-VOTSOKGWSA-N
DG66688	"5-[(E)-2-(2,6-diethylphenyl)ethenyl]-N-methylpyridine-3-carboxamide"	44418546	GW450241X; CHEMBL385426; HMS3303M17; HMS3305K23; NSC756243; NSC-756243; AB01092161-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756243	.	.	.	.	294.4	C19H22N2O	42	368	4	22	1	2	5	"InChI=1S/C19H22N2O/c1-4-15-7-6-8-16(5-2)18(15)10-9-14-11-17(13-21-12-14)19(22)20-3/h6-13H,4-5H2,1-3H3,(H,20,22)/b10-9+"	CCC1=C(C(=CC=C1)CC)/C=C/C2=CC(=CN=C2)C(=O)NC	NLOKJGFIQFVGNZ-MDZDMXLPSA-N
DG66689	"6-(3-Aminopropyl)-5,9-methylenedioxy-5,11-dioxo-3-nitro-11H-indeno[1,2-c]isoquinoline Hydrochloride Salt"	44418792	"CHEMBL373552; SCHEMBL18319808; NSC729813; NSC-729813; 6-(3-Aminopropyl)-5,9-methylenedioxy-5,11-dioxo- 3-nitro-11H-indeno[1,2-c]isoquinoline Hydrochloride Salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729813	.	.	.	.	429.8	C20H16ClN3O6	128	777	.	30	2	7	3	"InChI=1S/C20H15N3O6.ClH/c21-4-1-5-22-18-12-7-15-16(29-9-28-15)8-13(12)19(24)17(18)11-3-2-10(23(26)27)6-14(11)20(22)25;/h2-3,6-8H,1,4-5,9,21H2;1H"	C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCN.Cl	YZLFXFGDWULIAW-UHFFFAOYSA-N
DG66690	"N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-fluoronaphthalene-1-carboxamide"	44431824	SB-814597; CHEMBL233002; HMS3303L03; HMS3305D03; BDBM50411419; NSC756492; NSC-756492; NCGC00241931-01; AB01092091-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756492	.	.	.	.	350.4	C20H15FN2OS	81.1	561	5.6	25	1	4	2	"InChI=1S/C20H15FN2OS/c21-17-10-9-15(12-5-1-2-6-13(12)17)19(24)23-20-16(11-22)14-7-3-4-8-18(14)25-20/h1-2,5-6,9-10H,3-4,7-8H2,(H,23,24)"	C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C4=CC=CC=C43)F)C#N	WTBQHGKQMCKGNX-UHFFFAOYSA-N
DG66691	4-(5-(6-methoxynaphthalen-2-yl)-1-methyl-2-(4-(methylsulfinyl)phenyl)-1H-imidazol-4-yl)pyridine	44433171	CHEMBL399410; SB-437013; HMS3303B01; HMS3305E03; BDBM50217604; NSC756454; NSC-756454; NCGC00241891-01; AB01092332-01; 4-(5-(6-methoxynaphthalen-2-yl)-1-methyl-2-(4-(methylsulfinyl)phenyl)-1H-imidazol-4-yl)pyridine; 4-[2-(4-methanesulfinyl-phenyl)-5-(6-methoxy-naphthalen-2-yl)-1-methyl-3H-imidazol-4-yl]-pyridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756454	.	.	.	.	453.6	C27H23N3O2S	76.2	664	4.3	33	0	5	5	"InChI=1S/C27H23N3O2S/c1-30-26(22-5-4-21-17-23(32-2)9-6-20(21)16-22)25(18-12-14-28-15-13-18)29-27(30)19-7-10-24(11-8-19)33(3)31/h4-17H,1-3H3"	CN1C(=C(N=C1C2=CC=C(C=C2)S(=O)C)C3=CC=NC=C3)C4=CC5=C(C=C4)C=C(C=C5)OC	GVSGFNAEUPRUIM-UHFFFAOYSA-N
DG66692	"3-3'-(1H-pyrazole-3,5-diyl)bis(1-methyl-1H-indole)"	44433919	"CHEMBL235217; NSC740345; NSC-740345; 3-3'-(1H-pyrazole-3,5-diyl)bis(1-methyl-1H-indole)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740345	.	.	.	.	326.4	C21H18N4	38.5	483	3.7	25	1	1	2	"InChI=1S/C21H18N4/c1-24-12-16(14-7-3-5-9-20(14)24)18-11-19(23-22-18)17-13-25(2)21-10-6-4-8-15(17)21/h3-13H,1-2H3,(H,22,23)"	CN1C=C(C2=CC=CC=C21)C3=CC(=NN3)C4=CN(C5=CC=CC=C54)C	YHFOLFSLWCSZMZ-UHFFFAOYSA-N
DG66693	2-[[5-methoxy-2-(4-methoxyphenyl)-1H-indol-3-yl]methylidene]propanedinitrile	44435255	CHEMBL238998; NSC749028; NSC-749028	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749028	.	.	.	.	329.4	C20H15N3O2	81.8	573	3.7	25	1	4	4	"InChI=1S/C20H15N3O2/c1-24-15-5-3-14(4-6-15)20-18(9-13(11-21)12-22)17-10-16(25-2)7-8-19(17)23-20/h3-10,23H,1-2H3"	COC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)OC)C=C(C#N)C#N	QFOWLDPQDYHOIU-UHFFFAOYSA-N
DG66694	(2Z)-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one	44444269	CHEMBL250980; NSC772257; NSC-772257	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772257	.	.	.	.	271.23	C13H9N3O4	89.9	459	1.9	20	0	5	1	"InChI=1S/C13H9N3O4/c1-15-11(14-7-12(15)16(18)19)6-10-13(17)8-4-2-3-5-9(8)20-10/h2-7H,1H3/b10-6-"	CN1C(=CN=C1/C=C\\2/C(=O)C3=CC=CC=C3O2)[N+](=O)[O-]	WBYWEHLFFOFMMD-POHAHGRESA-N
DG66695	(2Z)-5-chloro-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one	44444274	CHEMBL248921; NSC772258; NSC-772258	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772258	.	.	.	.	305.67	C13H8ClN3O4	89.9	492	2.5	21	0	5	1	"InChI=1S/C13H8ClN3O4/c1-16-11(15-6-12(16)17(19)20)5-10-13(18)8-4-7(14)2-3-9(8)21-10/h2-6H,1H3/b10-5-"	CN1C(=CN=C1/C=C\\2/C(=O)C3=C(O2)C=CC(=C3)Cl)[N+](=O)[O-]	FCVBLEXFCIZQCO-YHYXMXQVSA-N
DG66696	(2Z)-5-bromo-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one	44444277	CHEMBL249129; NSC772259; NSC-772259	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772259	.	.	.	.	350.12	C13H8BrN3O4	89.9	492	2.6	21	0	5	1	"InChI=1S/C13H8BrN3O4/c1-16-11(15-6-12(16)17(19)20)5-10-13(18)8-4-7(14)2-3-9(8)21-10/h2-6H,1H3/b10-5-"	CN1C(=CN=C1/C=C\\2/C(=O)C3=C(O2)C=CC(=C3)Br)[N+](=O)[O-]	YHRYEMLGRQUXSK-YHYXMXQVSA-N
DG66697	(2Z)-5-methyl-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one	44444278	CHEMBL249130; NSC772264; NSC-772264	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772264	.	.	.	.	285.25	C14H11N3O4	89.9	487	2.3	21	0	5	1	"InChI=1S/C14H11N3O4/c1-8-3-4-10-9(5-8)14(18)11(21-10)6-12-15-7-13(16(12)2)17(19)20/h3-7H,1-2H3/b11-6-"	CC1=CC2=C(C=C1)O/C(=C\\C3=NC=C(N3C)[N+](=O)[O-])/C2=O	OYRNHYUENQBODH-WDZFZDKYSA-N
DG66698	(2Z)-5-methoxy-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one	44444279	CHEMBL399555; NSC772261; NSC-772261	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772261	.	.	.	.	301.25	C14H11N3O5	99.2	503	1.9	22	0	6	2	"InChI=1S/C14H11N3O5/c1-16-12(15-7-13(16)17(19)20)6-11-14(18)9-5-8(21-2)3-4-10(9)22-11/h3-7H,1-2H3/b11-6-"	CN1C(=CN=C1/C=C\\2/C(=O)C3=C(O2)C=CC(=C3)OC)[N+](=O)[O-]	FTBQFBRYZNXQNS-WDZFZDKYSA-N
DG66699	(2Z)-6-chloro-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one	44444282	CHEMBL250354; NSC772265; NSC-772265	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772265	.	.	.	.	305.67	C13H8ClN3O4	89.9	492	2.5	21	0	5	1	"InChI=1S/C13H8ClN3O4/c1-16-11(15-6-12(16)17(19)20)5-10-13(18)8-3-2-7(14)4-9(8)21-10/h2-6H,1H3/b10-5-"	CN1C(=CN=C1/C=C\\2/C(=O)C3=C(O2)C=C(C=C3)Cl)[N+](=O)[O-]	VTPNBXGTZZLKHA-YHYXMXQVSA-N
DG66700	(2Z)-6-methoxy-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one	44444285	CHEMBL251563; NSC772274; NSC-772274	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772274	.	.	.	.	301.25	C14H11N3O5	99.2	503	1.9	22	0	6	2	"InChI=1S/C14H11N3O5/c1-16-12(15-7-13(16)17(19)20)6-11-14(18)9-4-3-8(21-2)5-10(9)22-11/h3-7H,1-2H3/b11-6-"	CN1C(=CN=C1/C=C\\2/C(=O)C3=C(O2)C=C(C=C3)OC)[N+](=O)[O-]	USJNTUCQFCQOLU-WDZFZDKYSA-N
DG66701	(2Z)-7-methyl-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one	44444295	CHEMBL248541; NSC772268; NSC-772268	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772268	.	.	.	.	285.25	C14H11N3O4	89.9	487	2.3	21	0	5	1	"InChI=1S/C14H11N3O4/c1-8-4-3-5-9-13(18)10(21-14(8)9)6-11-15-7-12(16(11)2)17(19)20/h3-7H,1-2H3/b10-6-"	CC1=C2C(=CC=C1)C(=O)/C(=C/C3=NC=C(N3C)[N+](=O)[O-])/O2	BZQFSNUNMJEMCG-POHAHGRESA-N
DG66702	(2Z)-7-methoxy-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one	44444297	CHEMBL248742; NSC772260; NSC-772260	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772260	.	.	.	.	301.25	C14H11N3O5	99.2	503	1.9	22	0	6	2	"InChI=1S/C14H11N3O5/c1-16-11(15-7-12(16)17(19)20)6-10-13(18)8-4-3-5-9(21-2)14(8)22-10/h3-7H,1-2H3/b10-6-"	CN1C(=CN=C1/C=C\\2/C(=O)C3=C(O2)C(=CC=C3)OC)[N+](=O)[O-]	GFNMYAMJZGFQKK-POHAHGRESA-N
DG66703	"(2Z)-6,7-dimethoxy-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one"	44444303	CHEMBL401645; NSC772266; NSC-772266	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772266	.	.	.	.	331.28	C15H13N3O6	108	548	1.8	24	0	7	3	"InChI=1S/C15H13N3O6/c1-17-11(16-7-12(17)18(20)21)6-10-13(19)8-4-5-9(22-2)15(23-3)14(8)24-10/h4-7H,1-3H3/b10-6-"	CN1C(=CN=C1/C=C\\2/C(=O)C3=C(O2)C(=C(C=C3)OC)OC)[N+](=O)[O-]	FMJAEMCDTDPGTL-POHAHGRESA-N
DG66704	"5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one"	44446870	CHEMBL402333; NSC740260; NSC-740260	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740260	.	.	.	.	326.3	C18H18N2O4	60	462	2.4	24	1	4	5	"InChI=1S/C18H18N2O4/c1-22-15-9-13(10-16(23-2)17(15)24-3)20-11-14(19-18(20)21)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,21)"	COC1=CC(=CC(=C1OC)OC)N2C=C(NC2=O)C3=CC=CC=C3	JDTMXEQWBKIDGP-UHFFFAOYSA-N
DG66705	"5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one"	44446871	CHEMBL252064; NSC740124; NSC-740124	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740124	.	.	.	.	360.8	C18H17ClN2O4	60	493	3.1	25	1	4	5	"InChI=1S/C18H17ClN2O4/c1-23-15-8-13(9-16(24-2)17(15)25-3)21-10-14(20-18(21)22)11-4-6-12(19)7-5-11/h4-10H,1-3H3,(H,20,22)"	COC1=CC(=CC(=C1OC)OC)N2C=C(NC2=O)C3=CC=C(C=C3)Cl	FCLMJANOGCULJL-UHFFFAOYSA-N
DG66706	"3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-2-one"	44446872	CHEMBL252065; NSC740261; NSC-740261	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740261	.	.	.	.	326.3	C18H18N2O4	60	474	2.4	24	1	4	5	"InChI=1S/C18H18N2O4/c1-22-14-7-4-12(5-8-14)15-11-20(18(21)19-15)13-6-9-16(23-2)17(10-13)24-3/h4-11H,1-3H3,(H,19,21)"	COC1=CC=C(C=C1)C2=CN(C(=O)N2)C3=CC(=C(C=C3)OC)OC	VJWXHXANNVMZOG-UHFFFAOYSA-N
DG66707	"1-(4-Chloro-phenyl)-4-(3,4,5-trimethoxy-phenyl)-1,3-dihydro-imidazol-2-one"	44446873	"CHEMBL402334; NSC740129; NSC-740129; 1-(4-chloro-phenyl)-4-(3,4,5-trimethoxy-phenyl)-1,3-dihydro-imidazol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740129	.	.	.	.	360.8	C18H17ClN2O4	60	493	3.1	25	1	4	5	"InChI=1S/C18H17ClN2O4/c1-23-15-8-11(9-16(24-2)17(15)25-3)14-10-21(18(22)20-14)13-6-4-12(19)5-7-13/h4-10H,1-3H3,(H,20,22)"	COC1=CC(=CC(=C1OC)OC)C2=CN(C(=O)N2)C3=CC=C(C=C3)Cl	SKNXIDOLEXJJAT-UHFFFAOYSA-N
DG66708	"3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-1H-imidazol-2-one"	44446876	CHEMBL404674; NSC740125; NSC-740125	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740125	.	.	.	.	339.6	C15H9Cl3N2O	32.299	435	4.4	21	1	1	2	"InChI=1S/C15H9Cl3N2O/c16-10-2-4-11(5-3-10)20-8-14(19-15(20)21)9-1-6-12(17)13(18)7-9/h1-8H,(H,19,21)"	C1=CC(=CC=C1N2C=C(NC2=O)C3=CC(=C(C=C3)Cl)Cl)Cl	XTFZRCJHKGRWTN-UHFFFAOYSA-N
DG66709	"3-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-thione"	44446878	CHEMBL404900; NSC740256; NSC-740256	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740256	.	.	.	.	406.9	C19H19ClN2O4S	84.3	550	3.6	27	1	5	6	"InChI=1S/C19H19ClN2O4S/c1-23-15-6-5-12(9-13(15)20)22-10-14(21-19(22)27)11-7-16(24-2)18(26-4)17(8-11)25-3/h5-10H,1-4H3,(H,21,27)"	COC1=C(C=C(C=C1)N2C=C(NC2=S)C3=CC(=C(C(=C3)OC)OC)OC)Cl	SPVTWWYLWLURQD-UHFFFAOYSA-N
DG66710	"3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole-2-thione"	44446879	CHEMBL252668; NSC741354; NSC-741354	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741354	.	.	.	.	346.8	C17H15ClN2O2S	65.8	466	3.7	23	1	3	4	"InChI=1S/C17H15ClN2O2S/c1-21-15-8-3-11(9-16(15)22-2)14-10-20(17(23)19-14)13-6-4-12(18)5-7-13/h3-10H,1-2H3,(H,19,23)"	COC1=C(C=C(C=C1)C2=CN(C(=S)N2)C3=CC=C(C=C3)Cl)OC	RDTQLNRKXHWWEI-UHFFFAOYSA-N
DG66711	"3-(3-chloro-4-methoxyphenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole-2-thione"	44446880	CHEMBL251894; NSC740264; NSC-740264	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740264	.	.	.	.	376.9	C18H17ClN2O3S	75	519	3.7	25	1	4	5	"InChI=1S/C18H17ClN2O3S/c1-22-15-7-5-12(9-13(15)19)21-10-14(20-18(21)25)11-4-6-16(23-2)17(8-11)24-3/h4-10H,1-3H3,(H,20,25)"	COC1=C(C=C(C=C1)C2=CN(C(=S)N2)C3=CC(=C(C=C3)OC)Cl)OC	ZCSHQSVJHFMQGA-UHFFFAOYSA-N
DG66712	[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone	44456731	CHEMBL411928; NSC740181; NSC-740181	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740181	.	.	.	.	492.9	C24H21ClF4N4O	48.5	682	6.3	34	1	8	4	"InChI=1S/C24H21ClF4N4O/c1-15-2-3-16(25)14-20(15)30-22-19(8-9-21(31-22)24(27,28)29)23(34)33-12-10-32(11-13-33)18-6-4-17(26)5-7-18/h2-9,14H,10-13H2,1H3,(H,30,31)"	CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F	SKCJLCZAXJYULM-UHFFFAOYSA-N
DG66713	[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone	44456732	CHEMBL273107; NSC740052; NSC-740052	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740052	.	.	.	.	504.9	C25H24ClF3N4O2	57.7	699	6.2	35	1	8	5	"InChI=1S/C25H24ClF3N4O2/c1-16-3-4-17(26)15-21(16)30-23-20(9-10-22(31-23)25(27,28)29)24(34)33-13-11-32(12-14-33)18-5-7-19(35-2)8-6-18/h3-10,15H,11-14H2,1-2H3,(H,30,31)"	CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC	VDBNLRDTSVSVFQ-UHFFFAOYSA-N
DG66714	[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone	44456733	CHEMBL273108; NSC740050; NSC-740050	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740050	.	.	.	.	509.3	C24H21Cl2F3N4O	48.5	692	6.9	34	1	7	4	"InChI=1S/C24H21Cl2F3N4O/c1-15-5-6-17(26)14-20(15)30-22-19(7-8-21(31-22)24(27,28)29)23(34)33-11-9-32(10-12-33)18-4-2-3-16(25)13-18/h2-8,13-14H,9-12H2,1H3,(H,30,31)"	CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl	PNBPHTPERICKHM-UHFFFAOYSA-N
DG66715	[2-(4-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone	44456760	CHEMBL269906; NSC740182; NSC-740182	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740182	.	.	.	.	509.3	C24H21Cl2F3N4O	48.5	692	6.9	34	1	7	4	"InChI=1S/C24H21Cl2F3N4O/c1-15-13-17(26)5-7-20(15)30-22-19(6-8-21(31-22)24(27,28)29)23(34)33-11-9-32(10-12-33)18-4-2-3-16(25)14-18/h2-8,13-14H,9-12H2,1H3,(H,30,31)"	CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl	PDNJPJWWXOBTHE-UHFFFAOYSA-N
DG66716	Ethyl 4-[2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carboxylate	44456786	CHEMBL408961; NSC740180; NSC-740180	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740180	.	.	.	.	470.9	C21H22ClF3N4O3	74.8	661	4.7	32	1	8	5	"InChI=1S/C21H22ClF3N4O3/c1-3-32-20(31)29-10-8-28(9-11-29)19(30)15-6-7-17(21(23,24)25)27-18(15)26-16-12-14(22)5-4-13(16)2/h4-7,12H,3,8-11H2,1-2H3,(H,26,27)"	CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C(F)(F)F)NC3=C(C=CC(=C3)Cl)C	OARRZLOEDHJRKZ-UHFFFAOYSA-N
DG66717	"3,8-Dimethoxy-9,10-[1,3]butadieno-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran"	44478252	"NSC740815; NSC-740815; 3,8-Dimethoxy-9,10-[1,3]butadieno-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740815	.	.	.	.	334.4	C21H18O4	36.9	483	4.2	25	0	4	2	"InChI=1S/C21H18O4/c1-22-12-7-8-15-19(9-12)24-11-17-16-10-18(23-2)13-5-3-4-6-14(13)20(16)25-21(15)17/h3-10,17,21H,11H2,1-2H3"	COC1=CC2=C(C=C1)C3C(CO2)C4=C(O3)C5=CC=CC=C5C(=C4)OC	SHYIHISNMYEDPX-UHFFFAOYSA-N
DG66718	"1H-Imidazo[2,1-f]purine-2,4(3H,8H)-dione, 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-"	44478401	"CHEMBL566515; 1192216-03-7; compound 66 [PMID: 19788238]; 1H-Imidazo[2,1-f]purine-2,4(3H,8H)-dione, 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-; 1H-Imidazo[2,1-f]purine-2,4(3H,8H)-dione,7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-; GTPL8141; BDBM50299218; NSC752203; ZINC45245466; NSC-752203; Q27076762; 7-(5-hydroxy-2-methylphenyl)-6-(2-methoxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione; 8-(2-Methoxyphenyl)-1-methyl-7-(2''-methyl-5''-hydroxyphenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752203	.	.	.	.	417.4	C22H19N5O4	101	722	3.6	31	2	5	3	"InChI=1S/C22H19N5O4/c1-12-8-9-13(28)10-14(12)16-11-26-18-19(25(2)22(30)24-20(18)29)23-21(26)27(16)15-6-4-5-7-17(15)31-3/h4-11,28H,1-3H3,(H,24,29,30)"	CC1=C(C=C(C=C1)O)C2=CN3C4=C(N=C3N2C5=CC=CC=C5OC)N(C(=O)NC4=O)C	JTWMOWRMSZZHDR-UHFFFAOYSA-N
DG66719	Fruquintinib	44480399	"Fruquintinib; 1194506-26-7; HMPL-013; Fruquintinib(HMPL-013); HMPL013; UNII-49DXG3M5ZW; 6-(6,7-dimethoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide; 49DXG3M5ZW; 6-(6,7-dimethoxyquinazolin-4-yloxy)-N,2-dimethylbenzofuran-3-carboxamide; 6-[(6,7-dimethoxyquinazolin-4-yl)oxy]-N,2-dimethyl-1-benzofuran-3-carboxamide; Fruquintinib [WHO-DD]; Elunate; Fruquintinib [USAN]; Fruquintinib; HMPL-013; Fruquintinib (HMPL-013); SCHEMBL947183; GTPL9428; CHEMBL4303214; BCP15692; EX-A2262; NSC801000; NSC829498; s5667; WHO 10348; 3-Benzofurancarboxamide, 6-((6,7-dimethoxy-4-quinazolinyl)oxy)-N,2-dimethyl-; 6-((6,7-dimethoxyquinazolin-4-yl)oxy)-N,2-dimethylbenzofuran-3-carboxamide; 6-[(6,7-Dimethoxy-4-quinazolinyl)oxy]-N,2-dimethyl-3-benzofurancarboxamide; AKOS026750586; ZINC114898570; CCG-268573; CS-5558; DB11679; NSC-801000; NSC-829498; SB17123; NCGC00481603-01; AS-73141; HMPL-013;HMPL013;HMPL 013; HY-19912; B5864; A14393; C71641; A898991; Q27259271"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	829498	.	.	.	.	393.4	C21H19N3O5	95.7	579	3.4	29	1	7	5	"InChI=1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25)"	CC1=C(C2=C(O1)C=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C(=O)NC	BALLNEJQLSTPIO-UHFFFAOYSA-N
DG66722	"6-[(1,4-dioxonaphthalen-2-yl)amino]-N-(3-phenyltellanylpropyl)hexanamide"	44521344	NSC748896; NSC-748896	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748896	.	.	.	.	532.1	C25H28N2O3Te	75.3	643	.	31	2	4	12	"InChI=1S/C25H28N2O3Te/c28-23-18-22(25(30)21-13-7-6-12-20(21)23)26-15-8-2-5-14-24(29)27-16-9-17-31-19-10-3-1-4-11-19/h1,3-4,6-7,10-13,18,26H,2,5,8-9,14-17H2,(H,27,29)"	C1=CC=C(C=C1)[Te]CCCNC(=O)CCCCCNC2=CC(=O)C3=CC=CC=C3C2=O	SWOLWANYRGUGNY-UHFFFAOYSA-N
DG66723	[1-[(2-Hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone	44522111	TCMDC-124631; CHEMBL529968; SCHEMBL21926591; MMV666060; NSC766721; NSC-766721; [1-[(2-Hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766721	.	.	.	.	393.4	C21H22F3NO3	49.8	520	4.1	28	1	7	5	"InChI=1S/C21H22F3NO3/c1-28-18-9-6-15(19(26)11-18)12-25-10-2-3-16(13-25)20(27)14-4-7-17(8-5-14)21(22,23)24/h4-9,11,16,26H,2-3,10,12-13H2,1H3"	COC1=CC(=C(C=C1)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)C(F)(F)F)O	FNGPGEHLNKUIHA-UHFFFAOYSA-N
DG66724	N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-3-(furan-2-yl)propanamide	44522210	TCMDC-124834; CHEMBL545880; MMV666108; NSC766511; ZINC45211287; AKOS030431114; NSC-766511	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766511	.	.	.	.	400.9	C23H29ClN2O2	45.5	509	4.5	28	1	3	7	"InChI=1S/C23H29ClN2O2/c24-19-6-4-18(5-7-19)23(12-2-13-23)17-26-14-10-20(11-15-26)25-22(27)9-8-21-3-1-16-28-21/h1,3-7,16,20H,2,8-15,17H2,(H,25,27)"	C1CC(C1)(CN2CCC(CC2)NC(=O)CCC3=CC=CO3)C4=CC=C(C=C4)Cl	SQSMBCLFXHSESJ-UHFFFAOYSA-N
DG66725	"N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-amine"	44555430	"CHEMBL4250191; N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-amine; SCHEMBL3123888; BDBM50463632; NSC748403; NSC-748403; J3.611.700A; C92211; N-(4-Methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidine-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748403	.	.	.	.	269.3	C15H15N3O2	51.4	320	3.3	20	0	5	3	"InChI=1S/C15H15N3O2/c1-10-8-20-15-13(10)14(16-9-17-15)18(2)11-4-6-12(19-3)7-5-11/h4-9H,1-3H3"	CC1=COC2=NC=NC(=C12)N(C)C3=CC=C(C=C3)OC	UVZUIESPIIIPQW-UHFFFAOYSA-N
DG66726	NSC756165	44571414	"N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)thiophen-3-yl)thieno[2,3-d]pyrimidin-4-amine; CHEMBL475599; GSK300014A; HMS3303O21; HMS3305L22; BDBM50255996; NSC756165; NSC-756165; NCGC00242185-01; AB01092422-01; N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)thiophen-3-yl)thieno[2,3-d]pyrimidin-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756165	.	.	.	.	603.2	C27H24ClFN4O3S3	158	887	5.7	39	2	10	11	"InChI=1S/C27H24ClFN4O3S3/c1-39(34,35)8-7-30-13-21-10-18(15-37-21)25-12-22-26(31-16-32-27(22)38-25)33-20-5-6-24(23(28)11-20)36-14-17-3-2-4-19(29)9-17/h2-6,9-12,15-16,30H,7-8,13-14H2,1H3,(H,31,32,33)"	CS(=O)(=O)CCNCC1=CC(=CS1)C2=CC3=C(N=CN=C3S2)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	NXPQOKLTKBGJEH-UHFFFAOYSA-N
DG66727	"N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-(1H-pyrrol-2-yl)thieno[3,2-d]pyrimidin-4-amine"	44571452	"CHEMBL473436; GW693881A; BDBM50256037; NSC756316; NSC-756316; NCGC00242013-01; AB01092425-01; N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-(1H-pyrrol-2-yl)thieno[3,2-d]pyrimidin-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756316	.	.	.	.	450.9	C23H16ClFN4OS	91.1	592	5.9	31	2	6	6	"InChI=1S/C23H16ClFN4OS/c24-17-10-16(6-7-20(17)30-12-14-3-1-4-15(25)9-14)29-23-22-19(27-13-28-23)11-21(31-22)18-5-2-8-26-18/h1-11,13,26H,12H2,(H,27,28,29)"	C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3SC(=C4)C5=CC=CN5)Cl	WVBOSBMDZYIKPK-UHFFFAOYSA-N
DG66728	"N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4-amine"	44571453	"CHEMBL506414; GW684626B; HMS3303H22; HMS3305H03; BDBM50256041; NSC756314; NSC-756314; NCGC00242194-01; AB01092424-01; N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756314	.	.	.	.	468	C23H15ClFN3OS2	104	593	7	31	1	7	6	"InChI=1S/C23H15ClFN3OS2/c24-18-10-16(6-7-19(18)29-12-14-3-1-4-15(25)9-14)28-22-17-11-21(20-5-2-8-30-20)31-23(17)27-13-26-22/h1-11,13H,12H2,(H,26,27,28)"	C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=C4C=C(SC4=NC=N3)C5=CC=CS5)Cl	PBIJKZCHYCDPPC-UHFFFAOYSA-N
DG66729	"6-Methyl-biphenyl-3,4''-dicarboxylic acid 3-cyclohexylamide 4''-cyclopropylmethyl-amide"	44578253	"CHEMBL477978; GW782907X; HMS3303P15; HMS3305F13; BDBM50262615; NSC756346; NSC-756346; NCGC00242108-01; AB01092165-01; 6-Methyl-biphenyl-3,4''-dicarboxylic acid 3-cyclohexylamide 4''-cyclopropylmethyl-amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756346	.	.	.	.	390.5	C25H30N2O2	58.2	559	5	29	2	2	6	"InChI=1S/C25H30N2O2/c1-17-7-10-21(25(29)27-22-5-3-2-4-6-22)15-23(17)19-11-13-20(14-12-19)24(28)26-16-18-8-9-18/h7,10-15,18,22H,2-6,8-9,16H2,1H3,(H,26,28)(H,27,29)"	CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)C3=CC=C(C=C3)C(=O)NCC4CC4	OALMGWWMKRZIDJ-UHFFFAOYSA-N
DG66730	"N-(4'-{[(Cyclopropylmethyl)amino]carbonyl}-6-methyl-1,1'-biphenyl-3-yl)-2-pyrrolidin-1-ylisonicotinamide"	44578672	"CHEMBL477182; GW769076X; SCHEMBL4814684; HMS3303F15; HMS3305B01; BDBM50263129; NSC756333; NSC-756333; NCGC00242098-01; AB01092069-01; N-(4'-{[(Cyclopropylmethyl)amino]carbonyl}-6-methyl-1,1'-biphenyl-3-yl)-2-pyrrolidin-1- ylisonicotinamide; N-(4'-{[(Cyclopropylmethyl)amino]carbonyl}-6-methyl-1,1'-biphenyl-3-yl)-2-pyrrolidin-1-ylisonicotinamide; N-[4''-(Cyclopropylmethyl-carbamoyl)-6-methyl-biphenyl-3-yl]-2-pyrrolidin-1-yl-isonicotinamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756333	.	.	.	.	454.6	C28H30N4O2	74.3	697	4.6	34	2	4	7	"InChI=1S/C28H30N4O2/c1-19-4-11-24(31-28(34)23-12-13-29-26(16-23)32-14-2-3-15-32)17-25(19)21-7-9-22(10-8-21)27(33)30-18-20-5-6-20/h4,7-13,16-17,20H,2-3,5-6,14-15,18H2,1H3,(H,30,33)(H,31,34)"	CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCCC3)C4=CC=C(C=C4)C(=O)NCC5CC5	CZXAZXLPPWLLGJ-UHFFFAOYSA-N
DG66731	"2-(dimethylamino)-1-(6-(4-(indolin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)-5-methoxyindolin-1-yl)ethanone"	44581222	"GSK2186269A; CHEMBL458415; HMS3304J01; HMS3305C20; BDBM50265848; NSC756154; NSC-756154; NCGC00242244-01; AB01092330-01; 2-(dimethylamino)-1-(6-(4-(indolin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)-5-methoxyindolin-1-yl)ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756154	.	.	.	.	483.6	C27H29N7O2	89.6	783	4	36	2	7	6	"InChI=1S/C27H29N7O2/c1-32(2)16-24(35)33-12-10-18-14-23(36-3)20(15-22(18)33)29-27-30-25-19(8-11-28-25)26(31-27)34-13-9-17-6-4-5-7-21(17)34/h4-8,11,14-15H,9-10,12-13,16H2,1-3H3,(H2,28,29,30,31)"	CN(C)CC(=O)N1CCC2=CC(=C(C=C21)NC3=NC4=C(C=CN4)C(=N3)N5CCC6=CC=CC=C65)OC	MUCIWJFQZDAZJT-UHFFFAOYSA-N
DG66732	"2-fluoro-6-[[2-[2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzoic acid"	44581245	GSK1819799A; CHEMBL514261; HMS3303C13; HMS3305E11; NSC756147; NSC-756147; NCGC00242063-01; AB01092327-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756147	.	.	.	.	519.6	C27H30FN7O3	119	786	3	38	4	10	8	"InChI=1S/C27H30FN7O3/c1-16(2)34-11-13-35(14-12-34)17-7-8-20(22(15-17)38-3)31-27-32-24-18(9-10-29-24)25(33-27)30-21-6-4-5-19(28)23(21)26(36)37/h4-10,15-16H,11-14H2,1-3H3,(H,36,37)(H3,29,30,31,32,33)"	CC(C)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=C(C(=CC=C5)F)C(=O)O)OC	CMBHUJIHAZQWHO-UHFFFAOYSA-N
DG66733	"N2-(4-(4-isopropylpiperazin-1-yl)-2-methoxyphenyl)-N4-(quinolin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine"	44581765	"GSK1511931A; GSK1511931; CHEMBL458438; GSK-1511931; compound 14 [PMID: 19081716]; GTPL8644; HMS3303A13; HMS3305I16; BDBM50266332; NSC756143; NSC-756143; NCGC00242061-01; AB01092326-01; Q27077874; 2-N-[2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-N-quinolin-5-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine; N2-(4-(4-isopropylpiperazin-1-yl)-2-methoxyphenyl)-N4-(quinolin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756143	.	.	.	.	508.6	C29H32N8O	94.2	748	5.4	38	3	8	7	"InChI=1S/C29H32N8O/c1-19(2)36-14-16-37(17-15-36)20-9-10-25(26(18-20)38-3)33-29-34-27-22(11-13-31-27)28(35-29)32-24-8-4-7-23-21(24)6-5-12-30-23/h4-13,18-19H,14-17H2,1-3H3,(H3,31,32,33,34,35)"	CC(C)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=CC=CC6=C5C=CC=N6)OC	PEPOAPKYASCEKL-UHFFFAOYSA-N
DG66734	"1-(4-(benzyloxy)phenyl)-3-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)urea"	44587530	"CHEMBL505187; GSK718429A; SCHEMBL13948735; HMS3303F14; HMS3305N13; BDBM50272816; NSC756188; NSC-756188; NCGC00242082-01; AB01092086-01; 1-(4-(benzyloxy)phenyl)-3-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756188	.	.	.	.	528.6	C32H28N6O2	96.9	800	5.2	40	3	4	8	"InChI=1S/C32H28N6O2/c1-2-38-20-29(27-15-17-33-31-28(27)16-18-34-31)30(37-38)23-9-6-10-25(19-23)36-32(39)35-24-11-13-26(14-12-24)40-21-22-7-4-3-5-8-22/h3-20H,2,21H2,1H3,(H,33,34)(H2,35,36,39)"	CCN1C=C(C(=N1)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4)C5=C6C=CNC6=NC=C5	QNTVJRSWYJREKJ-UHFFFAOYSA-N
DG66735	Cerdulatinib	44595079	"Cerdulatinib; 1198300-79-6; Cerdulatinib (PRT062070); PRT062070; UNII-D1LXQ45S1O; 4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide; D1LXQ45S1O; CHEMBL4116008; PRT-2070; PRT 062070; PRT-062070; 4-(Cyclopropylamino)-2-((4-(4-(ethanesulfonyl)piperazin-1-yl)phenyl)amino)pyrimidine-5-carboxamide; 5-Pyrimidinecarboxamide, 4-(cyclopropylamino)-2-((4-(4-(ethylsulfonyl)-1-piperazinyl)phenyl)amino)-; PRT2070; Cerdulatinib [INN]; 4-(cyclopropylamino)-2-({4-[4-(ethanesulfonyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide; Cerdulatinib (PRT2070); SCHEMBL736734; GTPL8957; RVT-502; BCP10681; EX-A2143; YXB30079; BDBM50468574; NSC800071; NSC825827; s3566; AKOS026750510; ZINC114483165; CS-3329; DB15499; NSC-800071; NSC-825827; SB16931; Cerdulatinib; PRT062070; PRT2070; NCGC00386415-04; AC-30243; AS-56368; DA-34986; HY-15999; B8023; FT-0741914; A14147; C71670; Q27075860; PRT2070; PRT-2070; PRT 2070; PRT-062070; PRT 062070; PRT062070; 4-(cyclopropylamino)-2-((4-(4-(ethylsulfonyl)piperazin-1-yl)phenyl)amino)pyrimidine-5-carboxamide; 4-(cyclopropylamino)-2-(4-(4-(ethylsulfonyl)piperazin-1-yl)phenylamino)pyrimidine-5-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	825827	.	.	.	.	445.5	C20H27N7O3S	142	711	1.9	31	3	9	8	"InChI=1S/C20H27N7O3S/c1-2-31(29,30)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-20-22-13-17(18(21)28)19(25-20)23-14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,28)(H2,22,23,24,25)"	CCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)C(=O)N	BGLPECHZZQDNCD-UHFFFAOYSA-N
DG66736	N'-hydroxy-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide	44601455	WT161; 1206731-57-8; WT-161; N'-hydroxy-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide; (E)-8-(2-(4-(diphenylamino)benzylidene)hydrazinyl)-N-hydroxy-8-oxooctanamide; SCHEMBL2608041; CHEBI:95034; EX-A2536; NSC797653; s8495; CCG-269322; CS-6516; NSC-797653; AC-33631; BS-14619; HY-100871	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797653	.	.	.	.	458.6	C27H30N4O3	94	603	4.9	34	3	5	12	"InChI=1S/C27H30N4O3/c32-26(15-9-1-2-10-16-27(33)30-34)29-28-21-22-17-19-25(20-18-22)31(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-14,17-21,34H,1-2,9-10,15-16H2,(H,29,32)(H,30,33)/b28-21+"	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)/C=N/NC(=O)CCCCCCC(=O)NO	KXWWYFKVBFUVIZ-SGWCAAJKSA-N
DG66738	NSC768637	44626421	2-chloro-N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzamide; vmy-1-103; 1209002-43-6; CHEMBL1765105; SCHEMBL13476353; NSC768637; ZINC72129829; NSC-768637	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768637	.	.	.	.	708.3	C34H42ClN9O4S	175	1180	5.6	49	5	11	14	"InChI=1S/C34H42ClN9O4S/c1-20(2)27(18-45)40-34-41-31(30-32(42-34)44(19-37-30)21(3)4)39-22-13-14-25(26(35)17-22)33(46)36-15-16-38-49(47,48)29-12-8-9-23-24(29)10-7-11-28(23)43(5)6/h7-14,17,19-21,27,38,45H,15-16,18H2,1-6H3,(H,36,46)(H2,39,40,41,42)/t27-/m0/s1"	CC(C)[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=C(C=C3)C(=O)NCCNS(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C)Cl	NJNQGMFCZFMREY-MHZLTWQESA-N
DG66741	"N-{4-[(1r,3s,5s)-3-Amino-5-Methylcyclohexyl]pyridin-3-Yl}-6-(2,6-Difluorophenyl)-5-Fluoropyridine-2-Carboxamide"	44814409	"PIM447; 1210608-43-7; LGH-447; PIM-447; LGH447; UNII-9TG5O4V25H; 9TG5O4V25H; N-{4-[(1r,3s,5s)-3-Amino-5-Methylcyclohexyl]pyridin-3-Yl}-6-(2,6-Difluorophenyl)-5-Fluoropyridine-2-Carboxamide; N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide; PIM447 (LGH447); PIM447 dihydrochloride; LGH447 2HCl; LGH-447 2HCl; GTPL9790; SCHEMBL3215332; CHEMBL3651966; PIM 447 [WHO-DD]; PIM447; LGH447; BDBM106870; NSC794109; NSC801006; ZINC116907270; compound 8 [PMID: 26505898]; CS-5929; DB14943; EX-A2399-1; NSC-794109; NSC-801006; AC-33632; HY-19322; J3.552.648J; US8592455, 70; A903354; yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide; Q27455763; N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-; 2-Pyridinecarboxamide, N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)-3-pyridinyl)-6-(2,6-difluorophenyl)-5-fluoro-; 5H7; N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)-3-pyridinyl)-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinecarboxamide; n-(4-((1r,3s,5s)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide; N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide;PIM-447"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794109	.	.	.	.	440.5	C24H23F3N4O	80.9	630	3.9	32	2	7	4	"InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1"	C[C@H]1C[C@H](C[C@H](C1)N)C2=C(C=NC=C2)NC(=O)C3=NC(=C(C=C3)F)C4=C(C=CC=C4F)F	VRQXRVAKPDCRCI-ZNMIVQPWSA-N
DG66742	N-(2-phenylphenyl)-8-[4-(3-pyridinyl)-1-triazolyl]octanamide	44819697	"GPP78; 1202580-59-3; CAY10618; CHEMBL568305; N-(2-phenylphenyl)-8-(4-pyridin-3-yltriazol-1-yl)octanamide; 1H-1,2,3-Triazole-1-octanamide,N-[1,1'-biphenyl]-2-yl-4-(3-pyridinyl)-; GPP 78; GPP-78; SCHEMBL23389980; CHEBI:94310; DTXSID40660728; BDBM50347441; NSC750421; ZINC45260367; NSC-750421; HY-14374; CS-0003321; BRD-K83289131-001-01-4; Q27166130; N-(2-phenylphenyl)-8-[4-(3-pyridinyl)-1-triazolyl]octanamide; N-([1,1'-Biphenyl]-2-yl)-8-[4-(pyridin-3-yl)-1H-1,2,3-triazol-1-yl]octanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750421	.	.	.	.	439.6	C27H29N5O	72.7	567	4.8	33	1	4	11	"InChI=1S/C27H29N5O/c33-27(29-25-16-9-8-15-24(25)22-12-5-4-6-13-22)17-7-2-1-3-10-19-32-21-26(30-31-32)23-14-11-18-28-20-23/h4-6,8-9,11-16,18,20-21H,1-3,7,10,17,19H2,(H,29,33)"	C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CCCCCCCN3C=C(N=N3)C4=CN=CC=C4	SJOLTIOPWDLDEB-UHFFFAOYSA-N
DG66743	[[(3Z)-3-amino-3-benzoyloxyimino-2-cyclohexylpropanoyl]amino] benzoate	44825805	MLS002693198; CHEMBL1899902; HMS3080P08; NSC58903; NSC-58903; SMR001559159	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58903	.	.	.	.	423.5	C23H25N3O5	120	648	5.1	31	2	6	9	"InChI=1S/C23H25N3O5/c24-20(25-30-22(28)17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(27)26-31-23(29)18-14-8-3-9-15-18/h2-3,6-9,12-16,19H,1,4-5,10-11H2,(H2,24,25)(H,26,27)"	C1CCC(CC1)C(/C(=N/OC(=O)C2=CC=CC=C2)/N)C(=O)NOC(=O)C3=CC=CC=C3	GVWUKOPRGKMIMS-UHFFFAOYSA-N
DG66744	NSC755841	45006140	"2-Amino-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxylic acid bis[1-[10,13-dimethyl-2,5,8,11,14-pentaoxo-3,9-di(propan-2-yl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl]ethyl] ester; SR-05000001547; CHEBI:91853; HMS2091C17; Pharmakon1600-00330001; NSC755841; CCG-213691; NSC-755841; SBI-0206669.P002; AB01563171_01; SR-05000001547-1; SR-05000001547-2; BRD-A73909368-001-01-5; Q27163649; 2-amino-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxylic acid bis[1-[10,13-dimethyl-2,5,8,11,14-pentaoxo-3,9-di(propan-2-yl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl]ethyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755841	.	.	.	.	1255.4	C62H86N12O16	356	3030	3.8	90	5	18	12	"InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)55(80)67-44(53(78)65-42)33(11)88-61(86)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)62(87)89-34(12)45-54(79)66-43(28(3)4)60(85)74-24-18-20-37(74)58(83)70(14)26-39(76)72(16)49(30(7)8)56(81)68-45/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,78)(H,66,79)(H,67,80)(H,68,81)"	CC1=C2C(=C(C=C1)C(=O)OC(C)C3C(=O)NC(C(=O)N4CCCC4C(=O)N(CC(=O)N(C(C(=O)N3)C(C)C)C)C)C(C)C)N=C5C(=C(C(=O)C(=C5O2)C)N)C(=O)OC(C)C6C(=O)NC(C(=O)N7CCCC7C(=O)N(CC(=O)N(C(C(=O)N6)C(C)C)C)C)C(C)C	QKRYGAZNLBVXHK-UHFFFAOYSA-N
DG66745	"11H-benzo[4,5]imidazo[2,1-a]isoindole hydrochlori"	45023740	"CHEMBL1966761; NSC163482; NSC-163482; SR-01000395022; 11H-benzo[4,5]imidazo[2,1-a]isoindole hydrochlori; SR-01000395022-1; F0013-0823"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163482	.	.	.	.	242.7	C14H11ClN2	17.8	278	.	17	1	1	0	"InChI=1S/C14H10N2.ClH/c1-2-6-11-10(5-1)9-16-13-8-4-3-7-12(13)15-14(11)16;/h1-8H,9H2;1H"	C1C2=CC=CC=C2C3=NC4=CC=CC=C4N31.Cl	HPXOLVTZGVSYLP-UHFFFAOYSA-N
DG66746	"2-[[(1S,5R)-1,5-dimethyl-9-methylidene-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]ethanol"	45027785	NSC711175; NSC-711175	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711175	.	.	.	.	326.4	C17H26O6	66.4	496	1.6	23	1	6	3	"InChI=1S/C17H26O6/c1-10-4-5-13-11(2)14(19-9-8-18)20-15-17(13)12(10)6-7-16(3,21-15)22-23-17/h10,12-15,18H,2,4-9H2,1,3H3/t10-,12 ,13 ,14 ,15 ,16+,17 /m1/s1"	C[C@@H]1CCC2C(=C)C(OC3C24C1CC[C@@](O3)(OO4)C)OCCO	YPWTVAGOIFEWNG-CIZRTWFWSA-N
DG66747	Ethyl 4-[bis(2-methylsulfonyloxyethyl)amino]-2-methylbenzoate	45027800	SCHEMBL4126480; NSC717120; NSC-717120	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717120	.	.	.	.	423.5	C16H25NO8S2	133	628	1.5	27	0	9	12	"InChI=1S/C16H25NO8S2/c1-5-23-16(18)15-7-6-14(12-13(15)2)17(8-10-24-26(3,19)20)9-11-25-27(4,21)22/h6-7,12H,5,8-11H2,1-4H3"	CCOC(=O)C1=C(C=C(C=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C	IIVWOVIPPFUTNX-UHFFFAOYSA-N
DG66748	"N-(3-Iodo-1-propyl)-5,3-dimethoxy-8,9-methylened ioxy-5,11-dioxo-11H-indeno-[1,2-c]isoquinoline"	45027806	"NSC722900; NSC-722900; N-(3-Iodo-1-propyl)-5,3-dimethoxy-8,9-methylened ioxy-5,11-dioxo-11H-indeno-[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722900	.	.	.	.	519.299	C22H18INO6	74.3	756	3.6	30	0	6	5	"InChI=1S/C22H18INO6/c1-27-15-6-11-14(9-16(15)28-2)22(26)24(5-3-4-23)20-12-7-17-18(30-10-29-17)8-13(12)21(25)19(11)20/h6-9H,3-5,10H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCI)OC	FPLRDWAICLYEFY-UHFFFAOYSA-N
DG66749	NSC724059	45027808	"6-{3-[2-(3-Amino-propylamino)-ethylamino]-1-propyl}-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride; NSC724059; NSC-724059; 6-{3-[2-(3-Amino-propylamino)-ethylamino]-1-propyl}-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1 ,2-c]isoquinoline hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724059	.	.	.	.	545	C27H33ClN4O6	124	868	.	38	4	9	12	"InChI=1S/C27H32N4O6.ClH/c1-34-20-11-16-19(14-21(20)35-2)27(33)31(10-4-7-30-9-8-29-6-3-5-28)25-17-12-22-23(37-15-36-22)13-18(17)26(32)24(16)25;/h11-14,29-30H,3-10,15,28H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCNCCCN)OC.Cl	BLYRLHUHKWDKKE-UHFFFAOYSA-N
DG66750	NSC724265	45027810	"6-{3-[2-(3-amino-propylamino)-propylamino]-1-propyl}-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride; NSC724265; NSC-724265; 6-{3-[2-(3-amino-propylamino)-propylamino]-1-propyl}-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[ 1,2-c]isoquinoline hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724265	.	.	.	.	559.1	C28H35ClN4O6	124	883	.	39	4	9	13	"InChI=1S/C28H34N4O6.ClH/c1-35-21-12-17-20(15-22(21)36-2)28(34)32(11-5-10-31-9-4-8-30-7-3-6-29)26-18-13-23-24(38-16-37-23)14-19(18)27(33)25(17)26;/h12-15,30-31H,3-11,16,29H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCCNCCCN)OC.Cl	SUNKMHBHQDNDCX-UHFFFAOYSA-N
DG66751	"12-[3'-N-(3'-Aminopropyl)-aminopropylidene]-5,-diketo-2,3-dimethoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoq uinoline"	45027811	"NSC724802; NSC-724802; 12-[3'-N-(3'-Aminopropyl)-aminopropylidene]-5,-diketo-2,3 -dimethoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoq uinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724802	.	.	.	.	463.5	C26H29N3O5	95.3	829	1.7	34	2	7	8	"InChI=1S/C26H29N3O5/c1-29-25-18-12-23-22(33-14-34-23)10-16(18)15(6-4-8-28-9-5-7-27)24(25)17-11-20(31-2)21(32-3)13-19(17)26(29)30/h6,10-13,28H,4-5,7-9,14,27H2,1-3H3/b15-6+"	CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)/C(=C/CCNCCCN)/C4=CC5=C(C=C42)OCO5	SSMROBDXXCACSJ-GIDUJCDVSA-N
DG66752	NSC724996	45027813	"6-{3-[2-(2-Amino-ethylamino]-ethylamino]-1propyl}-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride; CHEMBL536742; NSC724996; NSC-724996; 6-{3-[2-(2-Amino-ethylamino]-ethylamino]-1propyl}-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2 -c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724996	.	.	.	.	531	C26H31ClN4O6	124	852	.	37	4	9	11	"InChI=1S/C26H30N4O6.ClH/c1-33-19-10-15-18(13-20(19)34-2)26(32)30(9-3-5-28-7-8-29-6-4-27)24-16-11-21-22(36-14-35-21)12-17(16)25(31)23(15)24;/h10-13,28-29H,3-9,14,27H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCNCCN)OC.Cl	PUVQWEHIPHIZTQ-UHFFFAOYSA-N
DG66753	"6-{3-[3,6-dihydro-2,3-dimethoxy-8,9-methylenedioxy-5,11-di oxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	45027814	"NSC724997; NSC-724997; 6-{3-[3,6-dihydro-2,3-dimethoxy-8,9-methylenedioxy-5,11-di oxo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724997	.	.	.	.	616.1	C31H42ClN5O6	136	949	.	43	5	10	17	"InChI=1S/C31H41N5O6.ClH/c1-39-24-15-20-23(18-25(24)40-2)31(38)36(14-6-13-35-12-5-11-34-10-4-9-33-8-3-7-32)29-21-16-26-27(42-19-41-26)17-22(21)30(37)28(20)29;/h15-18,33-35H,3-14,19,32H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCCNCCCNCCCN)OC.Cl	RCSURWDPQMTCJT-UHFFFAOYSA-N
DG66754	"6-[(3-Thiazolylamino)-1-propyl]-5,3-dimethoxy-~ 8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride"	45027819	"NSC725775; NSC-725775; 6-[(3-Thiazolylamino)-1-propyl]-5,3-dimethoxy-~ 8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725775	.	.	.	.	530	C25H24ClN3O6S	124	940	.	36	2	8	7	"InChI=1S/C25H23N3O6S.ClH/c1-31-17-8-13-16(11-18(17)32-2)24(30)28(6-3-4-26-25-27-5-7-35-25)22-14-9-19-20(34-12-33-19)10-15(14)23(29)21(13)22;/h8-11H,3-7,12H2,1-2H3,(H,26,27);1H"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNC6=NCCS6)OC.Cl	DZUOYYFPEQVSPK-UHFFFAOYSA-N
DG66755	Indimitecan hydrochloride	45027820	"Indimitecan hydrochloride; UNII-898F769796; 915303-04-7; 898F769796; NSC-725776; DTXSID30238612; NSC725776; NSC 725776; 5H-(1,3)Dioxolo(4',5':5,6)indeno(1,2-c)isoquinoline-5,12(6H)-dione, 6-(3-(1H-imidazol-1-yl)propyl)-2,3-dimethoxy-, hydrochloride (1:1); Q27270022; 5H-[1,5':5,6]indeno[1,2-c]-isoquinoline-5,12(6H)-dione, 6-[3-(1H-imidazol-1-yl)propyl]-2,3-dimethoxy-, hydrochloride (1:1); 6-[3-[(1H-Imidazolyl)propyl]-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline HCl"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725776	.	.	.	.	495.9	C25H22ClN3O6	92.1	864	.	35	1	7	6	"InChI=1S/C25H21N3O6.ClH/c1-31-18-8-14-17(11-19(18)32-2)25(30)28(6-3-5-27-7-4-26-12-27)23-15-9-20-21(34-13-33-20)10-16(15)24(29)22(14)23;/h4,7-12H,3,5-6,13H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6C=CN=C6)OC.Cl	VZCPAXRDLDYWBE-UHFFFAOYSA-N
DG66756	"12-(4'-Phthalimidobutylidene)-5,11-diketo-2,3-di methoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquin oline"	45027827	"NSC726112; NSC-726112; 12-(4'-Phthalimidobutylidene)-5,11-diketo-2,3-di methoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquin oline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726112	.	.	.	.	550.6	C32H26N2O7	94.6	1140	3.7	41	0	7	6	"InChI=1S/C32H26N2O7/c1-33-29-22-14-27-26(40-16-41-27)12-20(22)17(28(29)21-13-24(38-2)25(39-3)15-23(21)30(33)35)8-6-7-11-34-31(36)18-9-4-5-10-19(18)32(34)37/h4-5,8-10,12-15H,6-7,11,16H2,1-3H3/b17-8+"	CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)/C(=C/CCCN4C(=O)C5=CC=CC=C5C4=O)/C6=CC7=C(C=C62)OCO7	IULDOFGWGVRABT-CAOOACKPSA-N
DG66757	"6-[2-Amino-1-ethyl]-5,3-dimethoxy-8,9-methylened ioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride"	45027828	"CHEMBL187631; NSC726331; NSC-726331; 6-[2-Amino-1-ethyl]-5,3-dimethoxy-8,9-methylened ioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726331	.	.	.	.	430.8	C21H19ClN2O6	100	739	.	30	2	7	4	"InChI=1S/C21H18N2O6.ClH/c1-26-14-5-10-13(8-15(14)27-2)21(25)23(4-3-22)19-11-6-16-17(29-9-28-16)7-12(11)20(24)18(10)19;/h5-8H,3-4,9,22H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCN)OC.Cl	HGKJLPYOQQNYSU-UHFFFAOYSA-N
DG66758	"12-(4'-Phthalylaminopentylidene)-5,11-diketo-2,3-dimethoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoq uinoline"	45027829	"NSC726510; NSC-726510; 12-(4'-Phthalylaminopentylidene)-5,11-diketo-2,3 -dimethoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoq uinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726510	.	.	.	.	564.6	C33H28N2O7	94.6	1160	4.1	42	0	7	7	"InChI=1S/C33H28N2O7/c1-34-30-23-15-28-27(41-17-42-28)13-21(23)18(29(30)22-14-25(39-2)26(40-3)16-24(22)31(34)36)9-5-4-8-12-35-32(37)19-10-6-7-11-20(19)33(35)38/h6-7,9-11,13-16H,4-5,8,12,17H2,1-3H3/b18-9+"	CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)/C(=C/CCCCN4C(=O)C5=CC=CC=C5C4=O)/C6=CC7=C(C=C62)OCO7	JCNVTOQNUMCVTI-GIJQJNRQSA-N
DG66759	"Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline)-6-propylamino}ethane Bis(trifluoroacetate"	45027830	"NSC726767; NSC-726767; Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline) -6-propylamino}ethane Bis(trifluoroacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726767	.	.	.	.	748.7	C42H35F3N4O6	136	1350	.	55	3	11	11	"InChI=1S/C40H34N4O4.C2HF3O2/c45-37-29-15-5-3-13-27(29)35-33(37)25-11-1-7-17-31(25)39(47)43(35)23-9-19-41-21-22-42-20-10-24-44-36-28-14-4-6-16-30(28)38(46)34(36)26-12-2-8-18-32(26)40(44)48;3-2(4,5)1(6)7/h1-8,11-18,41-42H,9-10,19-24H2;(H,6,7)"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCNCCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O	QIECWIJZHJJQCZ-UHFFFAOYSA-N
DG66760	NSC726770	45027831	"Cis-6-(2-dimethylamino-1-ethyl)-5,12,13-tetrahydro-2,3-dim ethoxy-8,9-(methylenedioxy)-5,11-dioxo-11H-indeno-[1,2-c]iso quinoline; NSC726770; NSC-726770; Cis-6-(2-dimethylamino-1-ethyl)-5,12,13-tetrahydro-2,3-dim ethoxy-8,9-(methylenedioxy)-5,11-dioxo-11H-indeno-[1,2-c]iso quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726770	.	.	.	.	424.4	C23H24N2O6	77.5	716	2	31	0	7	5	"InChI=1S/C23H24N2O6/c1-24(2)5-6-25-21-13-8-18-19(31-11-30-18)9-14(13)22(26)20(21)12-7-16(28-3)17(29-4)10-15(12)23(25)27/h7-10,20-21H,5-6,11H2,1-4H3/t20-,21-/m0/s1"	CN(C)CCN1[C@@H]2[C@H](C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C24)OCO5	LBMSKFHTLSHNPT-SFTDATJTSA-N
DG66761	"6-[3-(1,6-dihyd ro-2,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1, 2-c]isoquinoline Hydrochloride"	45027832	"NSC726971; NSC-726971; 6-[3-(1,6-dihyd ro-2,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1, 2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726971	.	.	.	.	517	C26H29ClN2O7	107	874	.	36	3	8	8	"InChI=1S/C26H28N2O7.ClH/c1-26(2,12-29)27-6-5-7-28-23-15-9-20-21(35-13-34-20)10-16(15)24(30)22(23)14-8-18(32-3)19(33-4)11-17(14)25(28)31;/h8-11,27,29H,5-7,12-13H2,1-4H3;1H"	CC(C)(CO)NCCCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5.Cl	KSRKNWDNPRGTGK-UHFFFAOYSA-N
DG66762	"Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline)-6-ethylamino}ethane Bis(trifluoroacetate)"	45027833	"NSC726973; NSC-726973; Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline) -6-ethylamino}ethane Bis(trifluoroacetate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726973	.	.	.	.	720.7	C40H31F3N4O6	136	1320	.	53	3	11	9	"InChI=1S/C38H30N4O4.C2HF3O2/c43-35-27-13-5-3-11-25(27)33-31(35)23-9-1-7-15-29(23)37(45)41(33)21-19-39-17-18-40-20-22-42-34-26-12-4-6-14-28(26)36(44)32(34)24-10-2-8-16-30(24)38(42)46;3-2(4,5)1(6)7/h1-16,39-40H,17-22H2;(H,6,7)"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNCCNCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O	ICBNKOHIZTWJDK-UHFFFAOYSA-N
DG66763	"11-(3'-Methylaminopropylidene]-5,3-dimeth oxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinolin e"	45027834	"NSC727048; NSC-727048; 11-(3'-Methylaminopropylidene]-5,3-dimeth oxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinolin e"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727048	.	.	.	.	420.5	C24H24N2O5	69.3	780	2.3	31	1	6	5	"InChI=1S/C24H24N2O5/c1-25-7-5-6-13-14-8-20-21(31-12-30-20)10-16(14)23-22(13)15-9-18(28-3)19(29-4)11-17(15)24(27)26(23)2/h6,8-11,25H,5,7,12H2,1-4H3/b13-6+"	CNCC/C=C/1\\C2=CC3=C(C=C2C4=C1C5=CC(=C(C=C5C(=O)N4C)OC)OC)OCO3	DAXQNHNQUJSUAW-AWNIVKPZSA-N
DG66764	"11-(6'-Aminohexylidene]-5,3-dimethoxy-6-m ethyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline"	45027835	"NSC727049; NSC-727049; 11-(6'-Aminohexylidene]-5,3-dimethoxy-6-m ethyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727049	.	.	.	.	448.5	C26H28N2O5	83.2	811	3	33	1	6	7	"InChI=1S/C26H28N2O5/c1-28-25-18-12-23-22(32-14-33-23)10-16(18)15(8-6-4-5-7-9-27)24(25)17-11-20(30-2)21(31-3)13-19(17)26(28)29/h8,10-13H,4-7,9,14,27H2,1-3H3/b15-8+"	CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)/C(=C/CCCCCN)/C4=CC5=C(C=C42)OCO5	HYKMWCYLCUWAHH-OVCLIPMQSA-N
DG66765	"11-[2'-N-Aminopropyl)-aminoethylidene]-5,3-dimethoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoq uinoline"	45027836	"NSC727212; NSC-727212; 11-[2'-N-Aminopropyl)-aminoethylidene]-5,3 -dimethoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoq uinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727212	.	.	.	.	449.5	C25H27N3O5	95.3	814	1.2	33	2	7	7	"InChI=1S/C25H27N3O5/c1-28-24-17-11-22-21(32-13-33-22)9-15(17)14(5-8-27-7-4-6-26)23(24)16-10-19(30-2)20(31-3)12-18(16)25(28)29/h5,9-12,27H,4,6-8,13,26H2,1-3H3/b14-5+"	CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)/C(=C/CNCCCN)/C4=CC5=C(C=C42)OCO5	RSMFWFVTQGYMOK-LHHJGKSTSA-N
DG66766	"6-[(4-FMOCamino)-1-butyl]-5,3-dimethoxy-8,9-meth ylenedioxy-5,11-dioxo-11H-indeno[1,2-c-isoquinoline"	45027837	"NSC727354; NSC-727354; 6-[(4-FMOCamino)-1-butyl]-5,3-dimethoxy-8,9-meth ylenedioxy-5,11-dioxo-11H-indeno[1,2-c-isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727354	.	.	.	.	644.7	C38H32N2O8	113	1250	5.7	48	1	8	10	"InChI=1S/C38H32N2O8/c1-44-30-15-25-28(18-31(30)45-2)37(42)40(35-26-16-32-33(48-20-47-32)17-27(26)36(41)34(25)35)14-8-7-13-39-38(43)46-19-29-23-11-5-3-9-21(23)22-10-4-6-12-24(22)29/h3-6,9-12,15-18,29H,7-8,13-14,19-20H2,1-2H3,(H,39,43)"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCCNC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68)OC	DMEZSHDZTBJXKD-UHFFFAOYSA-N
DG66767	"6-[(4-tert-BOCamino)-1-butyl]-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	45027838	"NSC727355; NSC-727355; 6-[(4-tert-BOCamino)-1-butyl]-5,3-dimethoxy-8,9- methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727355	.	.	.	.	522.5	C28H30N2O8	113	974	3.6	38	1	8	9	"InChI=1S/C28H30N2O8/c1-28(2,3)38-27(33)29-8-6-7-9-30-24-16-11-21-22(37-14-36-21)12-17(16)25(31)23(24)15-10-19(34-4)20(35-5)13-18(15)26(30)32/h10-13H,6-9,14H2,1-5H3,(H,29,33)"	CC(C)(C)OC(=O)NCCCCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5	SKVQLOWNASQCDB-UHFFFAOYSA-N
DG66768	"6-(4-Amino-1-butyl)-5,3-dimethoxy-8,9-methylened ioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride"	45027839	"NSC727356; NSC-727356; 6-(4-Amino-1-butyl)-5,3-dimethoxy-8,9-methylened ioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727356	.	.	.	.	458.9	C23H23ClN2O6	100	769	.	32	2	7	6	"InChI=1S/C23H22N2O6.ClH/c1-28-16-7-12-15(10-17(16)29-2)23(27)25(6-4-3-5-24)21-13-8-18-19(31-11-30-18)9-14(13)22(26)20(12)21;/h7-10H,3-6,11,24H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCCN)OC.Cl	ZHKMLSGJEXEARE-UHFFFAOYSA-N
DG66769	NSC727620	45027842	"6-[3-(2-Aminoethylamino)]-bis{1-propyl)-5,3-dime thoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquin oline} dihydrochloride; NSC727620; NSC-727620; 6-[3-(2-Aminoethylamino)]-bis{1-propyl)-5,3-dime thoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquin oline} dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727620	.	.	.	.	879.3	C46H43ClN4O12	178	1720	.	63	2	14	14	"InChI=1S/C46H42N4O12.ClH/c1-55-31-13-23-29(19-33(31)57-3)45(53)49(41-25-15-35-37(61-21-59-35)17-27(25)43(51)39(23)41)10-5-8-48(12-7-47)9-6-11-50-42-26-16-36-38(62-22-60-36)18-28(26)44(52)40(42)24-14-32(56-2)34(58-4)20-30(24)46(50)54;/h13-20H,5-12,21-22,47H2,1-4H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN(CCCN6C7=C(C8=CC(=C(C=C8C6=O)OC)OC)C(=O)C9=CC1=C(C=C97)OCO1)CCN)OC.Cl	MRCFKPHCMGUNSB-UHFFFAOYSA-N
DG66770	"11-(4'-Aminobutylidene)-5,3-dimethoxy-6-me thyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline"	45027844	"NSC727621; NSC-727621; 11-(4'-Aminobutylidene)-5,3-dimethoxy-6-me thyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727621	.	.	.	.	420.5	C24H24N2O5	83.2	780	2.1	31	1	6	5	"InChI=1S/C24H24N2O5/c1-26-23-16-10-21-20(30-12-31-21)8-14(16)13(6-4-5-7-25)22(23)15-9-18(28-2)19(29-3)11-17(15)24(26)27/h6,8-11H,4-5,7,12,25H2,1-3H3/b13-6+"	CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)/C(=C/CCCN)/C4=CC5=C(C=C42)OCO5	ZNZJHMVLEVDSND-AWNIVKPZSA-N
DG66771	"11-[2',6-dihydro-2,3-dimethoxy-6-me thyl-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinoline"	45027846	"NSC727722; NSC-727722; 11-[2',6-dihydro-2,3-dimethoxy-6-me thyl-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727722	.	.	.	.	421.4	C23H23N3O5	109	798	0.4	31	2	7	4	"InChI=1S/C23H23N3O5/c1-26-22-15-7-20-19(30-10-31-20)5-12(15)13(4-11(25)9-24)21(22)14-6-17(28-2)18(29-3)8-16(14)23(26)27/h4-8,11H,9-10,24-25H2,1-3H3/b13-4+"	CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)/C(=C/C(CN)N)/C4=CC5=C(C=C42)OCO5	PZXDFXMKTBLJRU-YIXHJXPBSA-N
DG66772	"Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline)-6-ethylamino}propane Bis(trifluoroacetate)"	45027847	"NSC728087; NSC-728087; Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline) -6-ethylamino}propane Bis(trifluoroacetate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728087	.	.	.	.	734.7	C41H33F3N4O6	136	1340	.	54	3	11	10	"InChI=1S/C39H32N4O4.C2HF3O2/c44-36-28-14-5-3-12-26(28)34-32(36)24-10-1-7-16-30(24)38(46)42(34)22-20-40-18-9-19-41-21-23-43-35-27-13-4-6-15-29(27)37(45)33(35)25-11-2-8-17-31(25)39(43)47;3-2(4,5)1(6)7/h1-8,10-17,40-41H,9,18-23H2;(H,6,7)"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNCCCNCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O	OZZDFYZMWFYOEK-UHFFFAOYSA-N
DG66773	"6-[3-(Aminobutylamino)-1-propyl]-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrochloride"	45027848	"NSC728089; NSC-728089; 6-[3-(Aminobutylamino)-1-propyl]-5,3-dimethoxy-8 ,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728089	.	.	.	.	516	C26H30ClN3O6	112	834	.	36	3	8	10	"InChI=1S/C26H29N3O6.ClH/c1-32-19-10-15-18(13-20(19)33-2)26(31)29(9-5-8-28-7-4-3-6-27)24-16-11-21-22(35-14-34-21)12-17(16)25(30)23(15)24;/h10-13,28H,3-9,14,27H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCCCN)OC.Cl	ATSIOJKSWLWVGN-UHFFFAOYSA-N
DG66774	"6-[3-(4-Aminopiperidine)-1-propyl]-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrochloride"	45027850	"NSC728090; NSC-728090; 6-[3-(4-Aminopiperidine)-1-propyl]-5,3-dimethoxy -8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728090	.	.	.	.	528	C27H30ClN3O6	104	902	.	37	2	8	6	"InChI=1S/C27H29N3O6.ClH/c1-33-20-10-16-19(13-21(20)34-2)27(32)30(7-3-6-29-8-4-15(28)5-9-29)25-17-11-22-23(36-14-35-22)12-18(17)26(31)24(16)25;/h10-13,15H,3-9,14,28H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCC(CC6)N)OC.Cl	BZZQIPXPDKBZTR-UHFFFAOYSA-N
DG66775	"5H-[1,6]indeno[1,2-c]-isoquinoline-5,12(6H)-dione, 2,3-dimethoxy-6-(3-hydroxypropyl)-"	45027851	"NSC728091; NSC-728091; 5H-[1,6]indeno[1,2-c]-isoquinoline-5,12(6H)-dione, 2,3-dimethoxy-6-(3-hydroxypropyl)-; 6-[(3-Hydroxy)-1-propyl]-5,3-dimethoxy-8,9-methy lenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728091	.	.	.	.	409.4	C22H19NO7	94.5	752	1.8	30	1	7	5	"InChI=1S/C22H19NO7/c1-27-15-6-11-14(9-16(15)28-2)22(26)23(4-3-5-24)20-12-7-17-18(30-10-29-17)8-13(12)21(25)19(11)20/h6-9,24H,3-5,10H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCO)OC	HVTQWKTVUPZVQA-UHFFFAOYSA-N
DG66776	"6-[(3-Diethoxybutylamino)-1-propyl]-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	45027852	"NSC728092; NSC-728092; 6-[(3-Diethoxybutylamino)-1-propyl]-5,3-dimethoxy -8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728092	.	.	.	.	552.6	C30H36N2O8	105	921	3.4	40	1	9	14	"InChI=1S/C30H36N2O8/c1-5-37-26(38-6-2)9-7-10-31-11-8-12-32-28-19-14-24-25(40-17-39-24)15-20(19)29(33)27(28)18-13-22(35-3)23(36-4)16-21(18)30(32)34/h13-16,26,31H,5-12,17H2,1-4H3"	CCOC(CCCNCCCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5)OCC	QZDYWJSYXCCEMB-UHFFFAOYSA-N
DG66777	"Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline)-6-propylamino}butane Bis(trifluoroacetate)"	45027853	"NSC728317; NSC-728317; Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline)-6-propylamino}butane Bis(trifluoroacetate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728317	.	.	.	.	778.8	C44H41F3N4O6	136	1410	.	57	3	11	13	"InChI=1S/C42H40N4O4.C2HF3O2/c47-39-31-17-5-3-15-29(31)37-35(39)27-13-1-7-19-33(27)41(49)45(37)25-11-23-43-21-9-10-22-44-24-12-26-46-38-30-16-4-6-18-32(30)40(48)36(38)28-14-2-8-20-34(28)42(46)50;3-2(4,5)1(6)7/h1-8,13-20,35,37,43-44H,9-12,21-26H2;(H,6,7)"	C1=CC=C2C(=C1)C3C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCCCNCCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O	GPDKBMBXTHQEES-UHFFFAOYSA-N
DG66778	"6-(3-Homopiperazinyl1-1-propyl)-5,3-dimethoxy-8, 9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrochloride"	45027855	"NSC728319; NSC-728319; 6-(3-Homopiperazinyl1-1-propyl)-5,3-dimethoxy-8, 9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728319	.	.	.	.	528	C27H30ClN3O6	89.6	895	.	37	2	8	6	"InChI=1S/C27H29N3O6.ClH/c1-33-20-11-16-19(14-21(20)34-2)27(32)30(9-4-8-29-7-3-5-28-6-10-29)25-17-12-22-23(36-15-35-22)13-18(17)26(31)24(16)25;/h11-14,28H,3-10,15H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCCNCC6)OC.Cl	LVVYOQAWYMWSTM-UHFFFAOYSA-N
DG66779	"Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline)-6-propyl}piperazine Bis(trifluoroacetate)"	45027856	"NSC728855; NSC-728855; Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline) -6-propyl}piperazine Bis(trifluoroacetate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728855	.	.	.	.	774.8	C44H37F3N4O6	119	1430	.	57	1	11	8	"InChI=1S/C42H36N4O4.C2HF3O2/c47-39-31-15-5-3-13-29(31)37-35(39)27-11-1-7-17-33(27)41(49)45(37)21-9-19-43-23-25-44(26-24-43)20-10-22-46-38-30-14-4-6-16-32(30)40(48)36(38)28-12-2-8-18-34(28)42(46)50;3-2(4,5)1(6)7/h1-8,11-18H,9-10,19-26H2;(H,6,7)"	C1CN(CCN1CCCN2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53)CCCN6C7=C(C8=CC=CC=C8C6=O)C(=O)C9=CC=CC=C97.C(=O)(C(F)(F)F)O	CZGURYVGBASXQS-UHFFFAOYSA-N
DG66780	"5,11-di oxo-11H-indeno[1,2-c]isoquinoline dihdrochloride"	45027857	"CHEMBL556587; NSC728856; NSC-728856; 5,11-di oxo-11H-indeno[1,2-c]isoquinoline dihdrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728856	.	.	.	.	448.9	C25H25ClN4O2	67.2	720	.	32	2	4	8	"InChI=1S/C25H24N4O2.ClH/c30-24-20-9-3-2-8-19(20)23-22(24)18-7-1-4-10-21(18)25(31)29(23)15-6-12-26-11-5-14-28-16-13-27-17-28;/h1-4,7-10,13,16-17,26H,5-6,11-12,14-15H2;1H"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCCN5C=CN=C5.Cl	FPRVRLGHOOLJRI-UHFFFAOYSA-N
DG66781	"6-(4-Trichloroacetyloxy-1-butyl)-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	45027858	"NSC728857; NSC-728857; 6-(4-Trichloroacetyloxy-1-butyl)-5,3-dimethoxy-8 ,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728857	.	.	.	.	568.8	C25H20Cl3NO8	101	968	4.6	37	0	8	8	"InChI=1S/C25H20Cl3NO8/c1-33-16-7-12-15(10-17(16)34-2)23(31)29(5-3-4-6-35-24(32)25(26,27)28)21-13-8-18-19(37-11-36-18)9-14(13)22(30)20(12)21/h7-10H,3-6,11H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCCOC(=O)C(Cl)(Cl)Cl)OC	ZNPUOQQCEJINCR-UHFFFAOYSA-N
DG66782	"11-(5'-Aminopentylidene)-5,3-dimethoxy-t-methyl-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinoline"	45027861	"NSC729635; NSC-729635; 11-(5'-Aminopentylidene)-5,3-dimethoxy-t-methyl- 8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729635	.	.	.	.	434.5	C25H26N2O5	83.2	795	2.5	32	1	6	6	"InChI=1S/C25H26N2O5/c1-27-24-17-11-22-21(31-13-32-22)9-15(17)14(7-5-4-6-8-26)23(24)16-10-19(29-2)20(30-3)12-18(16)25(27)28/h7,9-12H,4-6,8,13,26H2,1-3H3/b14-7+"	CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)/C(=C/CCCCN)/C4=CC5=C(C=C42)OCO5	LWZZVGRLAQAFSE-VGOFMYFVSA-N
DG66783	NSC729644	45027864	"[(2R,3R,4R,5R,6R)-2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; NSC729644; NSC-729644"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729644	.	.	.	.	770.7	C35H46O19	293	1210	-1.4	54	10	19	15	"InChI=1S/C35H46O19/c1-16-25(41)26(42)27(43)33(51-16)54-30-28(44)32(48-10-9-18-3-6-19(37)21(39)11-18)52-23(13-49-34-31(45)35(46,14-36)15-50-34)29(30)53-24(40)8-5-17-4-7-20(38)22(12-17)47-2/h3-8,11-12,16,23,25-34,36-39,41-46H,9-10,13-15H2,1-2H3/b8-5+/t16-,23+,25-,26+,27+,28+,29+,30+,31 ,32+,33-,34 ,35 /m0/s1"	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O	BVFLJHVBTFJPHJ-WDMJVSCCSA-N
DG66784	NSC729648	45027866	"[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6S)-4-[(3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; NSC729648; NSC-729648"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729648	.	.	.	.	756.7	C34H44O19	304	1190	-1.7	53	11	19	14	"InChI=1S/C34H44O19/c1-15-24(42)28(52-33-30(45)34(46,13-36)14-48-33)25(43)32(49-15)53-29-26(44)31(47-9-8-17-3-6-19(38)21(40)11-17)50-22(12-35)27(29)51-23(41)7-4-16-2-5-18(37)20(39)10-16/h2-7,10-11,15,22,24-33,35-40,42-46H,8-9,12-14H2,1H3/b7-4+/t15-,22+,24-,25+,26+,27+,28+,29+,30-,31+,32-,33 ,34+/m0/s1"	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)OC5[C@@H]([C@](CO5)(CO)O)O)O	KAKUSAKVVYFENV-QQJCWCMXSA-N
DG66785	NSC729652	45027867	"[4-[5-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; NSC729652; NSC-729652"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729652	.	.	.	.	756.7	C34H44O19	304	1190	-1.7	53	11	19	14	"InChI=1S/C34H44O19/c1-15-27(52-33-30(45)34(46,13-36)14-48-33)24(42)25(43)32(49-15)53-29-26(44)31(47-9-8-17-3-6-19(38)21(40)11-17)50-22(12-35)28(29)51-23(41)7-4-16-2-5-18(37)20(39)10-16/h2-7,10-11,15,22,24-33,35-40,42-46H,8-9,12-14H2,1H3/b7-4+"	CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)OC5C(C(CO5)(CO)O)O	MYTQIOQLRFFFEC-QPJJXVBHSA-N
DG66786	"cis-2,6,12,13-Pentahydro-6-methyl-(8,9-methylenedioxy)-3-n itro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	45027874	"NSC730009; NSC-730009; cis-2,6,12,13-Pentahydro-6-methyl-(8,9-methylenedioxy)-3-n itro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730009	.	.	.	.	471.7	C19H13Cl3N2O6	102	671	.	30	0	6	0	"InChI=1S/C18H12N2O6.CHCl3/c1-19-16-10-5-13-14(26-7-25-13)6-11(10)17(21)15(16)9-3-2-8(20(23)24)4-12(9)18(19)22;2-1(3)4/h2-6,15-16H,7H2,1H3;1H/t15-,16-;/m1./s1"	CN1[C@H]2[C@@H](C3=C(C1=O)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC5=C(C=C24)OCO5.C(Cl)(Cl)Cl	ZCHZWUHMHXXJPB-QNBGGDODSA-N
DG66787	NSC730435	45027875	"6-(3'-Aminopropyl)-11-[3'-aminopropylidene]5,3-d imethoxy-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinol ine Dihydrochloride; NSC730435; NSC-730435; 6-(3'-Aminopropyl)-11-[3'-aminopropylidene]5,3-d imethoxy-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinol ine Dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730435	.	.	.	.	486	C25H28ClN3O5	109	814	.	34	3	7	7	"InChI=1S/C25H27N3O5.ClH/c1-30-19-10-16-18(12-20(19)31-2)25(29)28(8-4-7-27)24-17-11-22-21(32-13-33-22)9-15(17)14(23(16)24)5-3-6-26;/h5,9-12H,3-4,6-8,13,26-27H2,1-2H3;1H/b14-5+;"	COC1=C(C=C2C(=C1)C\\3=C(C4=CC5=C(C=C4/C3=C\\CCN)OCO5)N(C2=O)CCCN)OC.Cl	UOSPTSMIFNCBAH-OCSIRBNJSA-N
DG66788	"3-Amino-6-(3-Chloropropyl)-5,9-methylenedioxy-5, 11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride salt"	45027877	"CHEMBL555185; NSC730453; NSC-730453; 3-Amino-6-(3-Chloropropyl)-5,9-methylenedioxy-5, 11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730453	.	.	.	.	419.3	C20H16Cl2N2O4	81.9	696	.	28	2	5	3	"InChI=1S/C20H15ClN2O4.ClH/c21-4-1-5-23-18-12-7-15-16(27-9-26-15)8-13(12)19(24)17(18)11-3-2-10(22)6-14(11)20(23)25;/h2-3,6-8H,1,4-5,9,22H2;1H"	C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)N)C(=O)N4CCCCl.Cl	OQSWATNASGVYPS-UHFFFAOYSA-N
DG66789	"Bis-{(5,11-diketo-11H[1,2-c]isoquinoline)-6-ethy lamino-ethylamino}ethane Tetra(trifluoroacetate)"	45027878	"NSC730631; NSC-730631; Bis-{(5,11-diketo-11H[1,2-c]isoquinoline)-6-ethy lamino-ethylamino}ethane Tetra(trifluoroacetate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730631	.	.	.	.	806.8	C44H41F3N6O6	160	1420	.	59	5	13	15	"InChI=1S/C42H40N6O4.C2HF3O2/c49-39-31-13-5-3-11-29(31)37-35(39)27-9-1-7-15-33(27)41(51)47(37)25-23-45-21-19-43-17-18-44-20-22-46-24-26-48-38-30-12-4-6-14-32(30)40(50)36(38)28-10-2-8-16-34(28)42(48)52;3-2(4,5)1(6)7/h1-16,43-46H,17-26H2;(H,6,7)"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNCCNCCNCCNCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O	BOOWIMAXPOBHAS-UHFFFAOYSA-N
DG66790	NSC730632	45027879	"{6-(3-Amino-1-propyl)-5,3-dimethoxy-8,9-methylen edioxy-5,11-dioxo-11H-indeno[1,2-c]-isoquinoline}-{5',6'-Dih ydro-6'-(3'-amino-1'-propyl)-5',11'-dioxo-11'H-indeno[1,2-c]-isoquinoline}propane Bis(trifluoroacetate); NSC730632; NSC-730632; {6-(3-Amino-1-propyl)-5,3-dimethoxy-8,9-methylen edioxy-5,11-dioxo-11H-indeno[1,2-c]-isoquinoline}-{5',6'-Dih ydro-6'-(3'-amino-1'-propyl)-5',11'-dioxo-11'H-indeno[1,2-c] -isoquinoline}propane Bis(trifluoroacetate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730632	.	.	.	.	866.8	C46H41F3N4O10	173	1700	.	63	3	15	14	"InChI=1S/C44H40N4O8.C2HF3O2/c1-53-33-20-29-32(23-34(33)54-2)44(52)48(40-30-21-35-36(56-24-55-35)22-31(30)42(50)38(29)40)19-9-17-46-15-7-14-45-16-8-18-47-39-26-11-4-5-12-27(26)41(49)37(39)25-10-3-6-13-28(25)43(47)51;3-2(4,5)1(6)7/h3-6,10-13,20-23,45-46H,7-9,14-19,24H2,1-2H3;(H,6,7)"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCCNCCCN6C7=C(C8=CC=CC=C8C6=O)C(=O)C9=CC=CC=C97)OC.C(=O)(C(F)(F)F)O	IBSYNDGWYPIQFC-UHFFFAOYSA-N
DG66791	"Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline)-6-ethylamino-ethyl}amine Tris(trifluoroacetate)"	45027880	"NSC730870; NSC-730870; Bis-{(5,11-diketo-11H-indeno[1,2-c]isoquinoline) -6-ethylamino-ethyl}amine Tris(trifluoroacetate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730870	.	.	.	.	763.8	C42H36F3N5O6	148	1370	.	56	4	12	12	"InChI=1S/C40H35N5O4.C2HF3O2/c46-37-29-13-5-3-11-27(29)35-33(37)25-9-1-7-15-31(25)39(48)44(35)23-21-42-19-17-41-18-20-43-22-24-45-36-28-12-4-6-14-30(28)38(47)34(36)26-10-2-8-16-32(26)40(45)49;3-2(4,5)1(6)7/h1-16,41-43H,17-24H2;(H,6,7)"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNCCNCCNCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O	SMDPKVRBWKREFD-UHFFFAOYSA-N
DG66792	"9-Bromo-6-(3-Chloropropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	45027881	"NSC732660; NSC-732660; 9-Bromo-6-(3-Chloropropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732660	.	.	.	.	402.7	C19H13BrClNO2	37.4	590	4	24	0	2	3	"InChI=1S/C19H13BrClNO2/c20-11-6-7-13-15(10-11)18(23)16-12-4-1-2-5-14(12)19(24)22(17(13)16)9-3-8-21/h1-2,4-7,10H,3,8-9H2"	C1=CC=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)Br)N(C2=O)CCCCl	XYPBWLXFMFUWGT-UHFFFAOYSA-N
DG66793	"6-(3-Chloropropyl)-5,11-dioxo-11H-indeno[1,2-c]i soquinoline"	45027882	"NSC732661; NSC-732661; 6-(3-Chloropropyl)-5,11-dioxo-11H-indeno[1,2-c]i soquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732661	.	.	.	.	323.8	C19H14ClNO2	37.4	556	3.3	23	0	2	3	"InChI=1S/C19H14ClNO2/c20-10-5-11-21-17-13-7-2-3-8-14(13)18(22)16(17)12-6-1-4-9-15(12)19(21)23/h1-4,6-9H,5,10-11H2"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCl	VJHGGUIIVNKENS-UHFFFAOYSA-N
DG66794	"6-(3-Chloropropyl)-5,3-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	45027883	"NSC732662; NSC-732662; 6-(3-Chloropropyl)-5,3-methylenedioxy-5,11-dioxo -11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732662	.	.	.	.	367.8	C20H14ClNO4	55.8	662	3.1	26	0	4	3	"InChI=1S/C20H14ClNO4/c21-6-3-7-22-18-11-4-1-2-5-12(11)19(23)17(18)13-8-15-16(26-10-25-15)9-14(13)20(22)24/h1-2,4-5,8-9H,3,6-7,10H2"	C1OC2=C(O1)C=C3C(=C2)C4=C(C5=CC=CC=C5C4=O)N(C3=O)CCCCl	JCHKWJCRWGSLDC-UHFFFAOYSA-N
DG66795	"6-(3-Azidopropyl)-5,3-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	45027884	"NSC732938; NSC-732938; 6-(3-Azidopropyl)-5,3-methylenedioxy-5,11-dioxo- 11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732938	.	.	.	.	374.3	C20H14N4O4	70.2	774	3.5	28	0	6	4	"InChI=1S/C20H14N4O4/c21-23-22-6-3-7-24-18-11-4-1-2-5-12(11)19(25)17(18)13-8-15-16(28-10-27-15)9-14(13)20(24)26/h1-2,4-5,8-9H,3,6-7,10H2"	C1OC2=C(O1)C=C3C(=C2)C4=C(C5=CC=CC=C5C4=O)N(C3=O)CCCN=[N+]=[N-]	FXXHNMNGYZIBJK-UHFFFAOYSA-N
DG66796	"Methyl 6,3-dimethoxy-5,11-dioxo-6-methyl-5H-indeno[1,2-c]isoquinoline-9-carboxylate"	45027888	"NSC734286; NSC-734286; Methyl 6,3-dimethoxy-5,11-dioxo-6-methyl-5H-indeno[1,2 -c]isoquinoline-9-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734286	.	.	.	.	379.4	C21H17NO6	82.1	730	2.2	28	0	6	4	"InChI=1S/C21H17NO6/c1-22-18-11-6-5-10(21(25)28-4)7-13(11)19(23)17(18)12-8-15(26-2)16(27-3)9-14(12)20(22)24/h5-9H,1-4H3"	CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=C2C=CC(=C4)C(=O)OC	AEAGQTLYHMAXBJ-UHFFFAOYSA-N
DG66797	"Bis-{(5,11-diketo-3-nitro-11H-indeno[1,2-c]isoqu inoline)-6-propylamino}propane Bis(trifluoroacetate)"	45027890	"NSC734798; NSC-734798; Bis-{(5,11-diketo-3-nitro-11H-indeno[1,2-c]isoqu inoline)-6-propylamino}propane Bis(trifluoroacetate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734798	.	.	.	.	852.8	C43H35F3N6O10	228	1730	.	62	3	15	12	"InChI=1S/C41H34N6O8.C2HF3O2/c48-38-29-10-3-2-9-28(29)36-35(38)27-14-12-25(47(54)55)23-33(27)41(51)44(36)20-6-18-42-16-5-17-43-19-7-21-45-37-32-22-24(46(52)53)13-15-30(32)39(49)34(37)26-8-1-4-11-31(26)40(45)50;3-2(4,5)1(6)7/h1-4,8-15,22-23,42-43H,5-7,16-21H2;(H,6,7)"	C1=CC=C2C(=C1)C3=C(C4=C(C3=O)C=CC(=C4)[N+](=O)[O-])N(C2=O)CCCNCCCNCCCN5C6=C(C7=C(C5=O)C=C(C=C7)[N+](=O)[O-])C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O	NIHQDICMLRQAKN-UHFFFAOYSA-N
DG66798	"Bis-{(5,11-diketo-3-nitro-11H-indeno[1,2-c]isoqu inoline)-6-ethylamino}propane Bis(trifluoroacetate)"	45027892	"NSC735012; NSC-735012; Bis-{(5,11-diketo-3-nitro-11H-indeno[1,2-c]isoqu inoline)-6-ethylamino}propane Bis(trifluoroacetate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735012	.	.	.	.	824.7	C41H31F3N6O10	228	1580	.	60	3	15	10	"InChI=1S/C39H30N6O8.C2HF3O2/c46-36-28-8-3-1-6-26(28)34-32(36)24-12-10-22(44(50)51)20-30(24)38(48)42(34)18-16-40-14-5-15-41-17-19-43-35-27-7-2-4-9-29(27)37(47)33(35)25-13-11-23(45(52)53)21-31(25)39(43)49;3-2(4,5)1(6)7/h1-4,6-13,20-21,40-41H,5,14-19H2;(H,6,7)"	C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCNCCCNCCN5C6=C(C7=C(C5=O)C=C(C=C7)[N+](=O)[O-])C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O	YQMUESYYLSUQBK-UHFFFAOYSA-N
DG66799	NSC735036	45027893	"6-[3-(2-Hydroxyethyl)-methylamino-1-propyl]-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]iso quinoline Hydrochloride; NSC735036; NSC-735036; 6-[3-(2-Hydroxyethyl)-methylamino-1-propyl]-5,3- dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]iso quinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735036	.	.	.	.	502.9	C25H27ClN2O7	97.8	832	.	35	2	8	8	"InChI=1S/C25H26N2O7.ClH/c1-26(7-8-28)5-4-6-27-23-15-10-20-21(34-13-33-20)11-16(15)24(29)22(23)14-9-18(31-2)19(32-3)12-17(14)25(27)30;/h9-12,28H,4-8,13H2,1-3H3;1H"	CN(CCCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5)CCO.Cl	OHQXNKDGRCBFHA-UHFFFAOYSA-N
DG66800	"Bis{(5,11-diketo-2,3-dimethoxy-11H-indeno[1,2-c] isoquinoline)-6-ethylamino}propane Bis(trifluoroacetate)"	45027895	"NSC735372; NSC-735372; Bis{(5,11-diketo-2,3-dimethoxy-11H-indeno[1,2-c] isoquinoline)-6-ethylamino}propane Bis(trifluoroacetate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735372	.	.	.	.	854.8	C45H41F3N4O10	173	1530	.	62	3	15	14	"InChI=1S/C43H40N4O8.C2HF3O2/c1-52-32-20-28-30(22-34(32)54-3)42(50)46(38-24-10-5-7-12-26(24)40(48)36(28)38)18-16-44-14-9-15-45-17-19-47-39-25-11-6-8-13-27(25)41(49)37(39)29-21-33(53-2)35(55-4)23-31(29)43(47)51;3-2(4,5)1(6)7/h5-8,10-13,20-23,44-45H,9,14-19H2,1-4H3;(H,6,7)"	COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNCCCNCCN5C6=C(C7=CC(=C(C=C7C5=O)OC)OC)C(=O)C8=CC=CC=C86)OC.C(=O)(C(F)(F)F)O	WUPOZEJYQITXRK-UHFFFAOYSA-N
DG66801	"Bis{(5,11-diketo-2,3-dimethoxy-11H-indeno[1,2-c] isoquinoline)-6-propylamino}propane Bis(trifluoroacetate)"	45027896	"NSC735373; NSC-735373; Bis{(5,11-diketo-2,3-dimethoxy-11H-indeno[1,2-c] isoquinoline)-6-propylamino}propane Bis(trifluoroacetate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735373	.	.	.	.	882.9	C47H45F3N4O10	173	1570	.	64	3	15	16	"InChI=1S/C45H44N4O8.C2HF3O2/c1-54-34-22-30-32(24-36(34)56-3)44(52)48(40-26-12-5-7-14-28(26)42(50)38(30)40)20-10-18-46-16-9-17-47-19-11-21-49-41-27-13-6-8-15-29(27)43(51)39(41)31-23-35(55-2)37(57-4)25-33(31)45(49)53;3-2(4,5)1(6)7/h5-8,12-15,22-25,46-47H,9-11,16-21H2,1-4H3;(H,6,7)"	COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCCNCCCN5C6=C(C7=CC(=C(C=C7C5=O)OC)OC)C(=O)C8=CC=CC=C86)OC.C(=O)(C(F)(F)F)O	ZWIRHUWDWAKRHU-UHFFFAOYSA-N
DG66802	"5,3-dimethoxy-5,11-dio xo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	45027897	"NSC735493; NSC-735493; 5,3-dimethoxy-5,11-dio xo-11H-indeno[1,2-c]isoquinoline Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735493	.	.	.	.	451.9	C24H22ClN3O4	73.7	753	.	32	1	5	6	"InChI=1S/C24H21N3O4.ClH/c1-30-19-12-17-18(13-20(19)31-2)24(29)27(10-5-9-26-11-8-25-14-26)22-15-6-3-4-7-16(15)23(28)21(17)22;/h3-4,6-8,11-14H,5,9-10H2,1-2H3;1H"	COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN5C=CN=C5)OC.Cl	RMDBTBAHJKQBBX-UHFFFAOYSA-N
DG66803	NSC735846	45027898	"2-[[1-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]-3-[[(1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]propan-2-ylidene]amino]oxyacetic acid; NSC735846; NSC-735846"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735846	.	.	.	.	695.8	C35H53NO13	151	1220	5.8	49	1	14	9	"InChI=1S/C35H53NO13/c1-18-7-9-25-20(3)28(42-30-34(25)23(18)11-13-32(5,44-30)46-48-34)39-15-22(36-41-17-27(37)38)16-40-29-21(4)26-10-8-19(2)24-12-14-33(6)45-31(43-29)35(24,26)49-47-33/h18-21,23-26,28-31H,7-17H2,1-6H3,(H,37,38)/t18-,19-,20-,21-,23+,24+,25+,26+,28+,29+,30-,31 ,32-,33-,34-,35-/m1/s1"	C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OCC(=NOCC(=O)O)CO[C@@H]5[C@@H]([C@@H]6CC[C@H]([C@H]7[C@]68C(O5)O[C@@](CC7)(OO8)C)C)C)C	ZNFQFXRNJVRFBO-YLAAHBJNSA-N
DG66804	"6-Propyl-2,9-methylenedioxy-11H-indeno-1, 2-c]isoquinolinium Nonaflate"	45027902	"NSC737132; NSC-737132; 6-Propyl-2,9-methylenedioxy-11H-indeno-1, 2-c]isoquinolinium Nonaflate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737132	.	.	.	.	647.5	C25H18F9NO7S	106	918	.	43	0	16	4	"InChI=1S/C21H18NO4.C4HF9O3S/c1-2-3-22-9-13-6-18-19(25-11-24-18)7-14(13)16-4-12-5-17-20(26-10-23-17)8-15(12)21(16)22;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h5-9H,2-4,10-11H2,1H3;(H,14,15,16)/q+1;/p-1"	CCC[N+]1=CC2=CC3=C(C=C2C4=C1C5=CC6=C(C=C5C4)OCO6)OCO3.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F	FUOIDOMSKFFDKZ-UHFFFAOYSA-M
DG66805	"Ent-9,17-dihydroxy-16-ketobeyeran-19-oic acid"	45027905	"NSC740053; NSC-740053; ent-9,17-dihydroxy-16-ketobeyeran-19-oic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740053	.	.	.	.	350.4	C20H30O5	94.8	646	2.1	25	3	5	2	"InChI=1S/C20H30O5/c1-16(15(23)24)5-3-6-17(2)13(16)4-7-19-10-14(22)18(11-19,12-21)8-9-20(17,19)25/h13,21,25H,3-12H2,1-2H3,(H,23,24)/t13 ,16-,17-,18+,19+,20-/m1/s1"	C[C@]1(CCC[C@@]2(C1CC[C@@]34[C@]2(CC[C@@](C3)(C(=O)C4)CO)O)C)C(=O)O	ZYHZNGUCLQZBOS-VGJWLYQPSA-N
DG66806	"Ent-9a,17-epoxy-kauran-19-oic acid"	45027906	"NSC740054; ent-9a,17-epoxy-kauran-19-oic acid; NSC-740054"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740054	.	.	.	.	350.4	C20H30O5	90.3	665	1.7	25	3	5	1	"InChI=1S/C20H30O5/c1-15(14(21)22)5-3-6-16(2)13(15)4-7-17-10-18(23,8-9-20(16,17)24)19(11-17)12-25-19/h13,23-24H,3-12H2,1-2H3,(H,21,22)/t13 ,15-,16-,17+,18+,19+,20-/m1/s1"	C[C@]1(CCC[C@@]2(C1CC[C@]34[C@]2(CC[C@](C3)([C@]5(C4)CO5)O)O)C)C(=O)O	YPCIKXMTKJCYQR-UPMSZIAASA-N
DG66807	"3-O-Methyl-16-benzoylethenyl-17-(thien-3-yl)-estra-1,5(10),16-tetraen-3-ol"	45027910	"NSC740083; NSC-740083; 3-O-Methyl-16-benzoylethenyl-17-(thien-3-yl)-estra-1,5(10) ,16-tetraen-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740083	.	.	.	.	480.7	C32H32O2S	54.5	854	7.6	35	0	3	5	"InChI=1S/C32H32O2S/c1-32-16-14-27-26-12-10-25(34-2)18-22(26)8-11-28(27)29(32)19-23(31(32)24-15-17-35-20-24)9-13-30(33)21-6-4-3-5-7-21/h3-7,9-10,12-13,15,17-18,20,27-29H,8,11,14,16,19H2,1-2H3/b13-9+/t27-,28-,29+,32+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=C2C4=CSC=C4)/C=C/C(=O)C5=CC=CC=C5)CCC6=C3C=CC(=C6)OC	VNQJZUDOVFXSON-RZDIZFASSA-N
DG66808	"N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-[(1,3-dioxoisoindol-2-yl)methylamino]benzenesulfonamide"	45027916	NSC740119; NSC-740119	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740119	.	.	.	.	426.4	C20H18N4O5S	130	738	2.7	30	2	8	6	"InChI=1S/C20H18N4O5S/c1-12-13(2)29-20(22-12)23-30(27,28)15-9-7-14(8-10-15)21-11-24-18(25)16-5-3-4-6-17(16)19(24)26/h3-10,21H,11H2,1-2H3,(H,22,23)"	CC1=C(OC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NCN3C(=O)C4=CC=CC=C4C3=O)C	HARRZLXORNVJBA-UHFFFAOYSA-N
DG66809	N-(2-Amino-phenyl)-4-{1-[4-(2-trifluoromethylphenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide	45027918	NSC740121; NSC-740121; N-(2-Amino-phenyl)-4-{1-[4-(2-trifluoromethylphenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740121	.	.	.	.	480.5	C27H27F3N4O	61.6	714	5.4	35	2	7	6	"InChI=1S/C27H27F3N4O/c1-19(20-10-12-21(13-11-20)26(35)32-24-8-4-3-7-23(24)31)18-33-14-16-34(17-15-33)25-9-5-2-6-22(25)27(28,29)30/h2-13H,1,14-18,31H2,(H,32,35)"	C=C(CN1CCN(CC1)C2=CC=CC=C2C(F)(F)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N	DUMBIPFGGCKNNC-UHFFFAOYSA-N
DG66810	N-(2-Amino-phenyl)-4-{1-[4-(4-trifluoromethylphenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide	45027919	NSC740122; NSC-740122; N-(2-Amino-phenyl)-4-{1-[4-(4-trifluoromethylphenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740122	.	.	.	.	480.5	C27H27F3N4O	61.6	706	5.4	35	2	7	6	"InChI=1S/C27H27F3N4O/c1-19(20-6-8-21(9-7-20)26(35)32-25-5-3-2-4-24(25)31)18-33-14-16-34(17-15-33)23-12-10-22(11-13-23)27(28,29)30/h2-13H,1,14-18,31H2,(H,32,35)"	C=C(CN1CCN(CC1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N	YAHMKOUMKSVLOM-UHFFFAOYSA-N
DG66811	"ethyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carboxylate"	45027922	NSC740127; NSC-740127	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740127	.	.	.	.	462.3	C22H21Cl2N3O4	84.9	601	6.3	31	2	6	9	"InChI=1S/C22H21Cl2N3O4/c1-4-31-22(28)14-11-18(13-8-9-19(29-2)20(10-13)30-3)26-21(14)27-25-12-15-16(23)6-5-7-17(15)24/h5-12,26-27H,4H2,1-3H3/b25-12+"	CCOC(=O)C1=C(NC(=C1)C2=CC(=C(C=C2)OC)OC)N/N=C/C3=C(C=CC=C3Cl)Cl	BUIDRDKYWLKGJF-BRJLIKDPSA-N
DG66812	"3-[[1-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile"	45027924	NSC740131; NSC-740131	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740131	.	.	.	.	517.6	C28H27N3O5S	113	739	5.2	37	0	8	10	"InChI=1S/C28H27N3O5S/c1-32-23-10-9-21(14-24(23)33-2)31-16-22(20-12-25(34-3)27(36-5)26(13-20)35-4)30-28(31)37-17-19-8-6-7-18(11-19)15-29/h6-14,16H,17H2,1-5H3"	COC1=C(C=C(C=C1)N2C=C(N=C2SCC3=CC(=CC=C3)C#N)C4=CC(=C(C(=C4)OC)OC)OC)OC	GRAPVSUTNMYFDM-UHFFFAOYSA-N
DG66813	"2-{4-[4-(5-morpholino-1H-benzo[d]imidazol-2-yl)phenoxy]butyl}-2,3-dione"	45027929	"NSC740160; NSC-740160; 2-{4-[4-(5-morpholino-1H-benzo[d]imidazol-2-yl)phenoxy]butyl }-2,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740160	.	.	.	.	546.6	C33H30N4O4	87.8	889	5.5	41	1	6	8	"InChI=1S/C33H30N4O4/c38-32-26-7-3-5-22-6-4-8-27(30(22)26)33(39)37(32)15-1-2-18-41-25-12-9-23(10-13-25)31-34-28-14-11-24(21-29(28)35-31)36-16-19-40-20-17-36/h3-14,21H,1-2,15-20H2,(H,34,35)"	C1COCCN1C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OCCCCN5C(=O)C6=CC=CC7=C6C(=CC=C7)C5=O	QGKRJVRREBVWCS-UHFFFAOYSA-N
DG66814	4-(N-tert-butoxycarbonyl-7-bromoindol-3-yl)but-3-en-2-one	45027931	NSC740193; NSC-740193; 4-(N-tert-butoxycarbonyl-7-bromoindol-3-yl)but-3-en-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740193	.	.	.	.	364.2	C17H18BrNO3	48.3	469	4.1	22	0	3	4	"InChI=1S/C17H18BrNO3/c1-11(20)5-6-12-10-19(16(21)22-17(2,3)4)15-8-7-13(18)9-14(12)15/h5-10H,1-4H3/b6-5+"	CC(=O)/C=C/C1=CN(C2=C1C=C(C=C2)Br)C(=O)OC(C)(C)C	OLUZANRCRCTYPZ-AATRIKPKSA-N
DG66815	5-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxamide	45027943	NSC740239; NSC-740239	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740239	.	.	.	.	524.9	C25H16ClF3N6O2	111	827	5.8	37	2	9	5	"InChI=1S/C25H16ClF3N6O2/c26-15-6-4-14(5-7-15)21-9-8-16(37-21)12-32-34-24(36)18-13-33-35(23(18)30)20-10-11-31-22-17(20)2-1-3-19(22)25(27,28)29/h1-13H,30H2,(H,34,36)/b32-12+"	C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)N3C(=C(C=N3)C(=O)N/N=C/C4=CC=C(O4)C5=CC=C(C=C5)Cl)N	MFTVMJKZPAZAGV-DPWJMMOYSA-N
DG66816	ethyl 2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate	45027953	NSC740252; NSC-740252	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740252	.	.	.	.	367.8	C20H18ClN3O2	66.5	474	5.7	26	2	4	7	"InChI=1S/C20H18ClN3O2/c1-2-26-20(25)17-12-18(15-6-4-3-5-7-15)23-19(17)24-22-13-14-8-10-16(21)11-9-14/h3-13,23-24H,2H2,1H3/b22-13+"	CCOC(=O)C1=C(NC(=C1)C2=CC=CC=C2)N/N=C/C3=CC=C(C=C3)Cl	CLIDABYVWYUABN-LPYMAVHISA-N
DG66817	"ethyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate"	45027954	NSC740253; NSC-740253	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740253	.	.	.	.	402.3	C20H17Cl2N3O2	66.5	504	6.3	27	2	4	7	"InChI=1S/C20H17Cl2N3O2/c1-2-27-20(26)14-11-18(13-7-4-3-5-8-13)24-19(14)25-23-12-15-16(21)9-6-10-17(15)22/h3-12,24-25H,2H2,1H3/b23-12+"	CCOC(=O)C1=C(NC(=C1)C2=CC=CC=C2)N/N=C/C3=C(C=CC=C3Cl)Cl	JHOLIVYKPQUWRS-FSJBWODESA-N
DG66818	"2-Benzylsulfanyl-1-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazole"	45027957	NSC740259; NSC-740259	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740259	.	.	.	.	462.6	C26H26N2O4S	80	557	5.6	33	0	6	9	"InChI=1S/C26H26N2O4S/c1-29-21-12-10-20(11-13-21)28-16-22(27-26(28)33-17-18-8-6-5-7-9-18)19-14-23(30-2)25(32-4)24(15-19)31-3/h5-16H,17H2,1-4H3"	COC1=CC=C(C=C1)N2C=C(N=C2SCC3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC	GUWTXQDDVIKJLH-UHFFFAOYSA-N
DG66819	"3-[[4-(4-Chlorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile"	45027958	NSC740263; NSC-740263	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740263	.	.	.	.	492	C26H22ClN3O3S	94.6	671	5.9	34	0	6	8	"InChI=1S/C26H22ClN3O3S/c1-31-23-12-21(13-24(32-2)25(23)33-3)30-15-22(19-7-9-20(27)10-8-19)29-26(30)34-16-18-6-4-5-17(11-18)14-28/h4-13,15H,16H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)N2C=C(N=C2SCC3=CC(=CC=C3)C#N)C4=CC=C(C=C4)Cl	CAZYPTCCLRMNDC-UHFFFAOYSA-N
DG66820	"6-(3-Morpholin-4-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride"	45027959	CHEMBL1773220; NSC740275; NSC-740275	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740275	.	.	.	.	410.9	C23H23ClN2O3	49.8	667	.	29	1	4	4	"InChI=1S/C23H22N2O3.ClH/c26-22-18-8-3-2-7-17(18)21-20(22)16-6-1-4-9-19(16)23(27)25(21)11-5-10-24-12-14-28-15-13-24;/h1-4,6-9H,5,10-15H2;1H"	C1COCCN1CCCN2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53.Cl	HOXXQYIEHRYRQT-UHFFFAOYSA-N
DG66821	"2,2,2-Trifluoro-1-[1-(4-methoxyphenyl)-2-methyl-4-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]ethanone"	45027962	NSC740353; NSC-740353	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740353	.	.	.	.	449.4	C23H22F3NO5	58.9	611	5	32	0	8	7	"InChI=1S/C23H22F3NO5/c1-13-20(22(28)23(24,25)26)17(12-27(13)15-6-8-16(29-2)9-7-15)14-10-18(30-3)21(32-5)19(11-14)31-4/h6-12H,1-5H3"	CC1=C(C(=CN1C2=CC=C(C=C2)OC)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C(F)(F)F	LAKYKMAFLCVVJB-UHFFFAOYSA-N
DG66822	"1-[1-(4-Chlorophenyl)-2-methyl-4-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]-2,2,2-trifluoroethanone"	45027963	NSC740354; NSC-740354	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740354	.	.	.	.	453.8	C22H19ClF3NO4	49.7	600	5.7	31	0	7	6	"InChI=1S/C22H19ClF3NO4/c1-12-19(21(28)22(24,25)26)16(11-27(12)15-7-5-14(23)6-8-15)13-9-17(29-2)20(31-4)18(10-13)30-3/h5-11H,1-4H3"	CC1=C(C(=CN1C2=CC=C(C=C2)Cl)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C(F)(F)F	NDSHIKMDMQDNOW-UHFFFAOYSA-N
DG66823	"2-Benzylsulfanyl-4-(4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazole"	45027965	NSC740356; NSC-740356	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740356	.	.	.	.	450.5	C25H23FN2O3S	70.8	545	5.7	32	0	6	8	"InChI=1S/C25H23FN2O3S/c1-29-22-13-20(14-23(30-2)24(22)31-3)28-15-21(18-9-11-19(26)12-10-18)27-25(28)32-16-17-7-5-4-6-8-17/h4-15H,16H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)N2C=C(N=C2SCC3=CC=CC=C3)C4=CC=C(C=C4)F	PDOAMWKBSHEPIQ-UHFFFAOYSA-N
DG66824	"3-[[4-(3,4-Dichlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile"	45027966	NSC740357; NSC-740357	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740357	.	.	.	.	466.4	C24H17Cl2N3OS	76.1	623	6.6	31	0	4	6	"InChI=1S/C24H17Cl2N3OS/c1-30-20-8-6-19(7-9-20)29-14-23(18-5-10-21(25)22(26)12-18)28-24(29)31-15-17-4-2-3-16(11-17)13-27/h2-12,14H,15H2,1H3"	COC1=CC=C(C=C1)N2C=C(N=C2SCC3=CC(=CC=C3)C#N)C4=CC(=C(C=C4)Cl)Cl	OGENUAIQPMSHHI-UHFFFAOYSA-N
DG66825	"2-Benzylsulfanyl-1-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazole"	45027967	NSC740358; NSC-740358	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740358	.	.	.	.	492.6	C27H28N2O5S	89.3	610	5.5	35	0	7	10	"InChI=1S/C27H28N2O5S/c1-30-22-12-11-20(15-23(22)31-2)29-16-21(28-27(29)35-17-18-9-7-6-8-10-18)19-13-24(32-3)26(34-5)25(14-19)33-4/h6-16H,17H2,1-5H3"	COC1=C(C=C(C=C1)N2C=C(N=C2SCC3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)OC	JARWZKHQXHVYDI-UHFFFAOYSA-N
DG66826	"4-(4-Chlorophenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)imidazol-2-one"	45027970	NSC740361; NSC-740361	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740361	.	.	.	.	436.9	C24H21ClN2O4	51.2	632	4.8	31	0	4	6	"InChI=1S/C24H21ClN2O4/c1-29-21-13-19(14-22(30-2)23(21)31-3)26-15-20(16-9-11-17(25)12-10-16)27(24(26)28)18-7-5-4-6-8-18/h4-15H,1-3H3"	COC1=CC(=CC(=C1OC)OC)N2C=C(N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl	YTZQTMLOOBAOMV-UHFFFAOYSA-N
DG66827	[4-(4-Methoxyphenyl)piperazin-1-yl]-[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]methanone	45027971	NSC740362; NSC-740362	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740362	.	.	.	.	456.5	C24H23F3N4O2	57.7	634	4.9	33	1	8	5	"InChI=1S/C24H23F3N4O2/c1-33-19-8-6-18(7-9-19)30-12-14-31(15-13-30)23(32)20-4-2-3-5-21(20)29-17-10-11-28-22(16-17)24(25,26)27/h2-11,16H,12-15H2,1H3,(H,28,29)"	COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC4=CC(=NC=C4)C(F)(F)F	VKAXZVICTQAAJV-UHFFFAOYSA-N
DG66828	[4-(3-Chlorophenyl)piperazin-1-yl]-[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]methanone	45027972	NSC740363; NSC-740363	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740363	.	.	.	.	460.9	C23H20ClF3N4O	48.5	629	5.5	32	1	7	4	"InChI=1S/C23H20ClF3N4O/c24-16-4-3-5-18(14-16)30-10-12-31(13-11-30)22(32)19-6-1-2-7-20(19)29-17-8-9-28-21(15-17)23(25,26)27/h1-9,14-15H,10-13H2,(H,28,29)"	C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3NC4=CC(=NC=C4)C(F)(F)F	GMKXSKIVGGWGDY-UHFFFAOYSA-N
DG66829	Naphtoindol	45027979	Naphtoindol; NSC740469; NSC-740469	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740469	.	.	.	.	410.4	C25H18N2O4	102	992	2.5	31	2	6	2	"InChI=1S/C25H18N2O4/c1-15-19(13-26)25-21(22(29)17-9-5-6-10-18(17)23(25)30)20(28)11-12-24(25,31)27(15)14-16-7-3-2-4-8-16/h2-12,29,31H,14H2,1H3"	CC1=C(C23C(=C(C4=CC=CC=C4C2=O)O)C(=O)C=CC3(N1CC5=CC=CC=C5)O)C#N	SIKRMAJJHIOIJU-UHFFFAOYSA-N
DG66830	NSC740475	45027980	"2-Amino-5-[[3-[2-[[5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-[4-chlorobutyl(methyl)amino]phosphoryl]oxyethylsulfonyl]-1-[[carboxy(phenyl)methyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid; NSC740475; NSC-740475"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740475	.	.	.	.	888.2	C32H45ClF2N7O14PS	328	1700	-4.4	58	7	18	24	"InChI=1S/C32H45ClF2N7O14PS/c1-41(13-6-5-12-33)57(51,55-17-22-26(44)32(34,35)30(56-22)42-14-11-23(37)39-31(42)50)54-15-16-58(52,53)18-21(38-24(43)10-9-20(36)28(46)47)27(45)40-25(29(48)49)19-7-3-2-4-8-19/h2-4,7-8,11,14,20-22,25-26,30,44H,5-6,9-10,12-13,15-18,36H2,1H3,(H,38,43)(H,40,45)(H,46,47)(H,48,49)(H2,37,39,50)"	CN(CCCCCl)P(=O)(OCCS(=O)(=O)CC(C(=O)NC(C1=CC=CC=C1)C(=O)O)NC(=O)CCC(C(=O)O)N)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)(F)F)O	WLGRBIGJNQQUJY-UHFFFAOYSA-N
DG66831	NSC740476	45027981	"2-Amino-5-[[3-[2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[4-chlorobutyl(methyl)amino]phosphoryl]oxyethylsulfonyl]-1-[[carboxy(phenyl)methyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid; NSC740476; NSC-740476"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740476	.	.	.	.	868.2	C32H47ClN7O15PS	349	1650	-5.7	57	8	17	24	"InChI=1S/C32H47ClN7O15PS/c1-39(13-6-5-12-33)56(50,54-17-22-26(42)27(43)29(55-22)40-14-11-23(35)37-32(40)49)53-15-16-57(51,52)18-21(36-24(41)10-9-20(34)30(45)46)28(44)38-25(31(47)48)19-7-3-2-4-8-19/h2-4,7-8,11,14,20-22,25-27,29,42-43H,5-6,9-10,12-13,15-18,34H2,1H3,(H,36,41)(H,38,44)(H,45,46)(H,47,48)(H2,35,37,49)"	CN(CCCCCl)P(=O)(OCCS(=O)(=O)CC(C(=O)NC(C1=CC=CC=C1)C(=O)O)NC(=O)CCC(C(=O)O)N)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O	AAPYRJHRMMWSDQ-UHFFFAOYSA-N
DG66832	"12-Methyl-1,10-diazatricyclo[8.3.1.03,8]tetradeca-3,5,7,12-tetraene-11,14-dione"	45027984	NSC740488; NSC-740488	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740488	.	.	.	.	228.25	C13H12N2O2	40.6	402	0.8	17	0	2	0	"InChI=1S/C13H12N2O2/c1-9-6-14-7-10-4-2-3-5-11(10)8-15(12(9)16)13(14)17/h2-6H,7-8H2,1H3"	CC1=CN2CC3=CC=CC=C3CN(C1=O)C2=O	SABDGXJFORMDKR-UHFFFAOYSA-N
DG66833	Bisarylpyrimidine	45027985	Bisarylpyrimidine; NSC740489; NSC-740489	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740489	.	.	.	.	403.3	C21H20Cl2N2O2	40.6	581	3.5	27	0	2	6	"InChI=1S/C21H20Cl2N2O2/c1-15-12-24(13-18-8-4-2-6-16(18)10-22)21(27)25(20(15)26)14-19-9-5-3-7-17(19)11-23/h2-9,12H,10-11,13-14H2,1H3"	CC1=CN(C(=O)N(C1=O)CC2=CC=CC=C2CCl)CC3=CC=CC=C3CCl	DLCGDVXPMIWIJC-UHFFFAOYSA-N
DG66834	"2,3-Bis(4-methoxyphenyl)-6,8-diphenylimidazo[1,2-a]pyrazine"	45027989	NSC740497; NSC-740497	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740497	.	.	.	.	483.6	C32H25N3O2	48.6	692	7.3	37	0	4	6	"InChI=1S/C32H25N3O2/c1-36-26-17-13-24(14-18-26)29-31(25-15-19-27(37-2)20-16-25)35-21-28(22-9-5-3-6-10-22)33-30(32(35)34-29)23-11-7-4-8-12-23/h3-21H,1-2H3"	COC1=CC=C(C=C1)C2=C(N3C=C(N=C(C3=N2)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)OC	FLJWCCOGFGYAIQ-UHFFFAOYSA-N
DG66835	"2-Benzylsulfanyl-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)imidazole"	45027997	NSC740536; NSC-740536	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740536	.	.	.	.	467	C25H23ClN2O3S	70.8	567	6.2	32	0	5	8	"InChI=1S/C25H23ClN2O3S/c1-29-22-12-10-19(14-20(22)26)28-15-21(18-9-11-23(30-2)24(13-18)31-3)27-25(28)32-16-17-7-5-4-6-8-17/h4-15H,16H2,1-3H3"	COC1=C(C=C(C=C1)C2=CN(C(=N2)SCC3=CC=CC=C3)C4=CC(=C(C=C4)OC)Cl)OC	MSXLETJPNPLYDC-UHFFFAOYSA-N
DG66836	"1.8-DIPHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,2-b]TRIAZINE"	45028001	"NSC740551; NSC-740551; 1.8-DIPHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,2-b]TRIAZINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740551	.	.	.	.	444.4	C26H16N6O2	90.1	1020	3.9	34	0	5	4	InChI=1S/C26H16N6O2/c33-21-16-20(17-10-4-1-5-11-17)27-26-28-25-23(30-32(21)26)22(24(34)18-12-6-2-7-13-18)29-31(25)19-14-8-3-9-15-19/h1-16H	C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)N=C4C(=N3)C(=NN4C5=CC=CC=C5)C(=O)C6=CC=CC=C6	MWQNNEIFECLINR-UHFFFAOYSA-N
DG66837	"1-[3-CHLOROPHENYL]-8-PHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,2-b]TRIAZINE"	45028002	"NSC740552; NSC-740552; 1-[3-CHLOROPHENYL]-8-PHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,2-b]TRIAZINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740552	.	.	.	.	478.9	C26H15ClN6O2	90.1	1060	4.5	35	0	5	4	InChI=1S/C26H15ClN6O2/c27-18-12-7-13-19(14-18)32-25-23(22(30-32)24(35)17-10-5-2-6-11-17)31-33-21(34)15-20(28-26(33)29-25)16-8-3-1-4-9-16/h1-15H	C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)N=C4C(=N3)C(=NN4C5=CC(=CC=C5)Cl)C(=O)C6=CC=CC=C6	UWFBSEVCLAEFEN-UHFFFAOYSA-N
DG66838	"1-[4-CHLOROPHENYL]-8-PHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,2-b]TRIAZINE"	45028003	"NSC740553; NSC-740553; 1-[4-CHLOROPHENYL]-8-PHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,2-b]TRIAZINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740553	.	.	.	.	478.9	C26H15ClN6O2	90.1	1060	4.5	35	0	5	4	InChI=1S/C26H15ClN6O2/c27-18-11-13-19(14-12-18)32-25-23(22(30-32)24(35)17-9-5-2-6-10-17)31-33-21(34)15-20(28-26(33)29-25)16-7-3-1-4-8-16/h1-15H	C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)N=C4C(=N3)C(=NN4C5=CC=C(C=C5)Cl)C(=O)C6=CC=CC=C6	LULPLICQKBZFMK-UHFFFAOYSA-N
DG66839	"10-(2,8,8-trimethyl-7,8,9,10-tetrahydro-1H-pyrido(2,3-b)carbazole-2,6-dion"	45028005	"NSC740555; NSC-740555; 10-(2,8,8-trimethyl-7,8,9,10-tetrahydro-1H-pyrido(2,3-b)carbazole-2,6-dion"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740555	.	.	.	.	469.4	C25H22Cl2N2O3	71.3	830	4.8	32	2	3	2	"InChI=1S/C25H22Cl2N2O3/c1-12-6-20(31)28-16-8-17-23(24(32)21(12)16)22-18(9-25(2,3)10-19(22)30)29(17)11-13-4-5-14(26)7-15(13)27/h4-8,32H,9-11H2,1-3H3,(H,28,31)"	CC1=CC(=O)NC2=CC3=C(C4=C(N3CC5=C(C=C(C=C5)Cl)Cl)CC(CC4=O)(C)C)C(=C12)O	QECNWTUMNNANBB-UHFFFAOYSA-N
DG66840	"5,10-Bis-epi-anamarine"	45028007	"5,10-bis-epi-anamarine; NSC740560; NSC-740560"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740560	.	.	.	.	426.4	C20H26O10	132	723	1.2	30	0	10	13	"InChI=1S/C20H26O10/c1-11(26-12(2)21)19(28-14(4)23)20(29-15(5)24)17(27-13(3)22)10-9-16-7-6-8-18(25)30-16/h6,8-11,16-17,19-20H,7H2,1-5H3/b10-9+/t11-,16-,17+,19+,20-/m0/s1"	C[C@@H]([C@H]([C@H]([C@@H](/C=C/[C@@H]1CC=CC(=O)O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	IIGKKKGWVQSBLY-CQDCALOPSA-N
DG66841	"3-Methoxy-17-hydroxyspiro[estra-1,5(10)-triene-16,1'-cyclohexane]"	45028008	"NSC740562; NSC-740562; 3-Methoxy-17-hydroxyspiro[estra-1,5(10)-triene-16,1'-cyclohexane]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740562	.	.	.	.	354.5	C24H34O2	29.5	524	4.9	26	1	2	1	"InChI=1S/C24H34O2/c1-23-13-10-19-18-9-7-17(26-2)14-16(18)6-8-20(19)21(23)15-24(22(23)25)11-4-3-5-12-24/h7,9,14,19-22,25H,3-6,8,10-13,15H2,1-2H3/t19-,20-,21+,22-,23+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC4([C@@H]2O)CCCCC4)CCC5=C3C=CC(=C5)OC	IFCXNXJPRVPWSC-ZQGJOIPISA-N
DG66842	Phomopsolide E	45028010	Phomopsolide E; CHEMBL4579634; NSC740603; NSC-740603	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740603	.	.	.	.	296.31	C15H20O6	89.9	477	1.2	21	1	6	7	"InChI=1S/C15H20O6/c1-4-9(2)15(19)21-13-7-8-14(18)20-12(13)6-5-11(17)10(3)16/h4,7-8,10,12-13,16H,5-6H2,1-3H3/b9-4+/t10-,12-,13-/m0/s1"	C/C=C(\\C)/C(=O)O[C@H]1C=CC(=O)O[C@H]1CCC(=O)[C@H](C)O	DZUFXUWCLMAHIK-VOUBRIMZSA-N
DG66843	5-epi-phomopsolide D	45028011	5-epi-phomopsolide D; NSC740606; NSC-740606	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740606	.	.	.	.	298.33	C15H22O6	93.1	439	1.3	21	2	6	7	"InChI=1S/C15H22O6/c1-4-9(2)15(19)21-13-7-8-14(18)20-12(13)6-5-11(17)10(3)16/h4,7-8,10-13,16-17H,5-6H2,1-3H3/b9-4+/t10-,11-,12+,13-/m0/s1"	C/C=C(\\C)/C(=O)O[C@H]1C=CC(=O)O[C@@H]1CC[C@@H]([C@H](C)O)O	ZFVYHTGRRBKBJE-CAWAPSHXSA-N
DG66844	4-Epi-7-aza-phomopsolide E	45028013	4-Epi-7-aza-phomopsolide E; NSC740608; NSC-740608	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740608	.	.	.	.	297.3	C14H19NO6	102	482	0.5	21	2	6	6	"InChI=1S/C14H19NO6/c1-4-8(2)14(19)21-10-5-6-12(17)20-11(10)7-15-13(18)9(3)16/h4-6,9-11,16H,7H2,1-3H3,(H,15,18)/b8-4+/t9-,10+,11-/m0/s1"	C/C=C(\\C)/C(=O)O[C@@H]1C=CC(=O)O[C@H]1CNC(=O)[C@H](C)O	XZYKRDKKCJVLNQ-LYDMWOGYSA-N
DG66845	(Z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(2-hydroxybenzylidene)-2-phenyl-1H-imidazol-5(4H)-one	45028018	NSC740618; NSC-740618; (Z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(2-hydroxybenzylidene)-2-phenyl-1H-imidazol-5(4H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740618	.	.	.	.	442.8	C23H14ClF3N2O2	52.9	733	5.9	31	1	6	3	"InChI=1S/C23H14ClF3N2O2/c24-17-11-10-16(23(25,26)27)13-19(17)29-21(14-6-2-1-3-7-14)28-18(22(29)31)12-15-8-4-5-9-20(15)30/h1-13,30H/b18-12-"	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=CC=C3O)/C(=O)N2C4=C(C=CC(=C4)C(F)(F)F)Cl	MVMVBCZWVZVEKB-PDGQHHTCSA-N
DG66846	"(Z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(3,4-dimethoxybenzylidene)-2-phenyl-1H-imidazol-5(4H)-one"	45028021	"NSC740621; NSC-740621; (Z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(3,4-dimethoxybenzylidene)-2-phenyl-1H-imidazol-5(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740621	.	.	.	.	486.9	C25H18ClF3N2O3	51.1	797	6.2	34	0	7	5	"InChI=1S/C25H18ClF3N2O3/c1-33-21-11-8-15(13-22(21)34-2)12-19-24(32)31(23(30-19)16-6-4-3-5-7-16)20-14-17(25(27,28)29)9-10-18(20)26/h3-14H,1-2H3/b19-12-"	COC1=C(C=C(C=C1)/C=C\\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)C(F)(F)F)Cl)OC	KGRIUPJPWNBBPQ-UNOMPAQXSA-N
DG66847	(Z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(4-(dimethylamino)benzylidene)-2-phenyl-1H-imidazol-5(4H)-one	45028023	NSC740623; NSC-740623; (Z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(4-(dimethylamino)benzylidene)-2-phenyl-1H-imidazol-5(4H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740623	.	.	.	.	469.9	C25H19ClF3N3O	35.9	767	6.4	33	0	6	4	"InChI=1S/C25H19ClF3N3O/c1-31(2)19-11-8-16(9-12-19)14-21-24(33)32(23(30-21)17-6-4-3-5-7-17)22-15-18(25(27,28)29)10-13-20(22)26/h3-15H,1-2H3/b21-14-"	CN(C)C1=CC=C(C=C1)/C=C\\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)C(F)(F)F)Cl	HFKAOQQFBIPNKT-STZFKDTASA-N
DG66848	NSC740642	45028024	"3-(9-amino-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,7-dimethoxy-3H-2-benzofuran-1-one;hydrochloride; NSC740642; NSC-740642"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740642	.	.	.	.	464.9	C22H25ClN2O7	102	680	.	32	2	9	4	"InChI=1S/C22H24N2O7.ClH/c1-24-8-7-10-13(19(28-4)21-20(15(10)23)29-9-30-21)16(24)17-11-5-6-12(26-2)18(27-3)14(11)22(25)31-17;/h5-6,16-17H,7-9,23H2,1-4H3;1H"	CN1CCC2=C(C1C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)C(=C5C(=C2N)OCO5)OC.Cl	MPAIWWBSBVZKPH-UHFFFAOYSA-N
DG66849	"Fluorobenzofurano[2,3"	45028028	"Fluorobenzofurano[2,3; 3,3,5(10)-trien-17-ol; NSC740792; NSC-740792"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740792	.	.	.	.	364.5	C24H25FO2	33.4	595	6.2	27	1	3	0	"InChI=1S/C24H25FO2/c1-24-9-8-15-16(20(24)6-7-23(24)26)4-2-13-10-21-19(12-18(13)15)17-5-3-14(25)11-22(17)27-21/h3,5,10-12,15-16,20,23,26H,2,4,6-9H2,1H3/t15-,16+,20-,23 ,24 /m0/s1"	CC12CC[C@H]3[C@H]([C@@H]1CCC2O)CCC4=CC5=C(C=C34)C6=C(O5)C=C(C=C6)F	WPUPURXAZQWXGG-IZTASLPDSA-N
DG66850	Methyl 4-[(6-oxobenzo[c]chromen-2-yl)carbamoylamino]benzoate	45028029	NSC740799; NSC-740799	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740799	.	.	.	.	388.4	C22H16N2O5	93.7	631	3.5	29	2	5	4	"InChI=1S/C22H16N2O5/c1-28-20(25)13-6-8-14(9-7-13)23-22(27)24-15-10-11-19-18(12-15)16-4-2-3-5-17(16)21(26)29-19/h2-12H,1H3,(H2,23,24,27)"	COC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OC(=O)C4=CC=CC=C43	VIWCAFVJTHPCMM-UHFFFAOYSA-N
DG66851	"12-Methyl-2,1':4,5][1,3,5]thiadiazino[2,3-b]quinazolin-5-thione"	45028033	"NSC740809; NSC-740809; 12-Methyl-2,1':4,5][1,3,5]thiadiazino[2,3-b]quinazolin-5-thione; 11-Methyl-2,3-dihydro-11H-1,3a,6,11a-tetraaza-5-thia-4H-cyclopenta[a]anthracene-4-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740809	.	.	.	.	288.4	C13H12N4S2	88.6	487	2.2	19	0	4	0	"InChI=1S/C13H12N4S2/c1-8-9-4-2-3-5-10(9)15-12-17(8)11-14-6-7-16(11)13(18)19-12/h2-5,8H,6-7H2,1H3"	CC1C2=CC=CC=C2N=C3N1C4=NCCN4C(=S)S3	NBSUDTUXMZAVFX-UHFFFAOYSA-N
DG66852	"1,6,8,12-Tetraene"	45028036	"1,6,8,12-tetraene; NSC740814; NSC-740814"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740814	.	.	.	.	262.33	C14H14O3S	51.8	532	1.4	18	0	3	0	"InChI=1S/C14H14O3S/c1-13-7-8-14(2,17-13)12-11(13)9-5-3-4-6-10(9)18(12,15)16/h3-8,11-12H,1-2H3"	CC12C=CC(O1)(C3C2C4=CC=CC=C4S3(=O)=O)C	XZRBGZRKIRQECA-UHFFFAOYSA-N
DG66853	"3,8-Dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c][1]benzopyran"	45028037	"20390-01-6; DTXSID50661620; NSC740816; NSC-740816; 3,8-Dimethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran; 3,8-Dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c][1]benzopyran"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740816	.	.	.	.	284.31	C17H16O4	36.9	374	2.9	21	0	4	2	"InChI=1S/C17H16O4/c1-18-10-4-6-15-13(7-10)14-9-20-16-8-11(19-2)3-5-12(16)17(14)21-15/h3-8,14,17H,9H2,1-2H3"	COC1=CC2=C(C=C1)OC3C2COC4=C3C=CC(=C4)OC	GHOLLDSBVAHGNB-UHFFFAOYSA-N
DG66854	"6a,2-c]Chromen-8-ol"	45028038	"6a,2-c]chromen-8-ol; NSC740817; NSC-740817"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740817	.	.	.	.	270.28	C16H14O4	47.9	360	2.6	20	1	4	1	"InChI=1S/C16H14O4/c1-18-10-3-4-11-15(7-10)19-8-13-12-6-9(17)2-5-14(12)20-16(11)13/h2-7,13,16-17H,8H2,1H3"	COC1=CC2=C(C=C1)C3C(CO2)C4=C(O3)C=CC(=C4)O	JEYBMRKJDYQSII-UHFFFAOYSA-N
DG66855	(+)-Membrenone B	45028040	"(+)-Membrenone B; 152273-82-0; DTXSID70661622; PUBCHEM_45028040; NSC740825; NSC-740825; 4H-Pyran-4-one,2S,3R)-1,3-dimethyl-4-oxo-2-(1-oxopropoxy)hexyl]-6-ethyl-2,3-dihydro-3,5-dimethyl-, (2R,3R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740825	.	.	.	.	352.5	C20H32O5	69.7	548	3.7	25	0	5	9	"InChI=1S/C20H32O5/c1-8-15(21)11(4)19(25-17(22)10-3)14(7)20-13(6)18(23)12(5)16(9-2)24-20/h11,13-14,19-20H,8-10H2,1-7H3/t11-,13-,14-,19+,20-/m0/s1"	CCC1=C(C(=O)[C@@H]([C@H](O1)[C@@H](C)[C@@H]([C@@H](C)C(=O)CC)OC(=O)CC)C)C	UBXYYFKDNAPTAL-DNFDJJHKSA-N
DG66856	"ethyl 2,8-dibenzyl-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate"	45028042	NSC740838; NSC-740838	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740838	.	.	.	.	439.5	C27H25N3O3	80.1	663	5.4	33	2	4	7	"InChI=1S/C27H25N3O3/c1-3-33-27(32)23-17(2)30(16-19-12-8-5-9-13-19)26-20(23)15-21(31)24-25(26)29-22(28-24)14-18-10-6-4-7-11-18/h4-13,15,31H,3,14,16H2,1-2H3,(H,28,29)"	CCOC(=O)C1=C(N(C2=C3C(=C(C=C12)O)NC(=N3)CC4=CC=CC=C4)CC5=CC=CC=C5)C	HYVYPMUFAUCFPT-UHFFFAOYSA-N
DG66857	"ethyl 2-benzyl-8-[(2,4-dichlorophenyl)methyl]-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate"	45028044	NSC740840; NSC-740840	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740840	.	.	.	.	508.4	C27H23Cl2N3O3	80.1	739	6.6	35	2	4	7	"InChI=1S/C27H23Cl2N3O3/c1-3-35-27(34)23-15(2)32(14-17-9-10-18(28)12-20(17)29)26-19(23)13-21(33)24-25(26)31-22(30-24)11-16-7-5-4-6-8-16/h4-10,12-13,33H,3,11,14H2,1-2H3,(H,30,31)"	CCOC(=O)C1=C(N(C2=C3C(=C(C=C12)O)NC(=N3)CC4=CC=CC=C4)CC5=C(C=C(C=C5)Cl)Cl)C	DZJIFIQXARESFU-UHFFFAOYSA-N
DG66858	NSC740842	45028046	"Ethyl 13-benzyl-3-[(2,4-dichlorophenyl)methyl]-4-methyl-10,11-dioxo-9-oxa-3,12,14-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1,4,6,8(15),13-pentaene-5-carboxylate; NSC740842; NSC-740842"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740842	.	.	.	.	562.4	C29H21Cl2N3O5	92.4	963	6.7	39	0	6	7	"InChI=1S/C29H21Cl2N3O5/c1-3-38-28(36)23-15(2)33(14-17-9-10-18(30)12-20(17)31)25-19(23)13-21-26-24(25)32-22(11-16-7-5-4-6-8-16)34(26)27(35)29(37)39-21/h4-10,12-13H,3,11,14H2,1-2H3"	CCOC(=O)C1=C(N(C2=C3C4=C(C=C12)OC(=O)C(=O)N4C(=N3)CC5=CC=CC=C5)CC6=C(C=C(C=C6)Cl)Cl)C	NHSQVWLRUSFVJT-UHFFFAOYSA-N
DG66859	"5-[2-(pyridin-2-yl)ethynyl]-6-(3,5-trimethoxyphenyl)-2H-pyran-2-one"	45028049	"NSC740845; NSC-740845; 5-[2-(pyridin-2-yl)ethynyl]-6-(3,5-trimethoxyphenyl)-2H-pyran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740845	.	.	.	.	363.4	C21H17NO5	66.9	657	2.9	27	0	6	6	"InChI=1S/C21H17NO5/c1-24-17-12-15(13-18(25-2)21(17)26-3)20-14(8-10-19(23)27-20)7-9-16-6-4-5-11-22-16/h4-6,8,10-13H,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2=C(C=CC(=O)O2)C#CC3=CC=CC=N3	ZSHLYSBYGINZJK-UHFFFAOYSA-N
DG66860	"6-(3-fluoro-4-methoxyphenyl)-5-(3,5-trimethoxyphenyl)-2H-pyran-2-one"	45028050	"NSC740846; NSC-740846; 6-(3-fluoro-4-methoxyphenyl)-5-(3,5-trimethoxyphenyl)-2H-pyran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740846	.	.	.	.	386.4	C21H19FO6	63.2	604	3.6	28	0	7	6	"InChI=1S/C21H19FO6/c1-24-16-7-5-12(9-15(16)22)20-14(6-8-19(23)28-20)13-10-17(25-2)21(27-4)18(11-13)26-3/h5-11H,1-4H3"	COC1=C(C=C(C=C1)C2=C(C=CC(=O)O2)C3=CC(=C(C(=C3)OC)OC)OC)F	RMENRUHVSNMAHN-UHFFFAOYSA-N
DG66861	(3Z)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one	45028054	NSC740940; NSC-740940	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740940	.	.	.	.	304.3	C19H16N2O2	54.1	504	3.4	23	2	2	2	"InChI=1S/C19H16N2O2/c1-11-7-17-14(9-18(11)23-2)15(19(22)21-17)8-12-10-20-16-6-4-3-5-13(12)16/h3-10,20H,1-2H3,(H,21,22)/b15-8-"	CC1=CC2=C(C=C1OC)/C(=C/C3=CNC4=CC=CC=C43)/C(=O)N2	DJZCQLOTDSVFMB-NVNXTCNLSA-N
DG66862	"1-(4-Chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one"	45028070	NSC740988; NSC-740988	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740988	.	.	.	.	436.9	C24H21ClN2O4	51.2	632	4.8	31	0	4	6	"InChI=1S/C24H21ClN2O4/c1-29-21-13-16(14-22(30-2)23(21)31-3)20-15-26(18-11-9-17(25)10-12-18)24(28)27(20)19-7-5-4-6-8-19/h4-15H,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2=CN(C(=O)N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl	BZOFSVJDHWVMFT-UHFFFAOYSA-N
DG66863	"4,6-Tribromo-7-(3-[4-(2-methoxyphenyl)-1-piperazinyl]-2-hydroxypropoxy)-2,3-dihydro-2,2-dimethyl-benzo[b]furan hydrochloride"	45028081	"NSC741083; NSC-741083; 4,6-tribromo-7-(3-[4-(2-methoxyphenyl)-1-piperazinyl]-2-hydroxypropoxy)-2,3-dihydro-2,2-dimethyl-benzo[b]furan hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741083	.	.	.	.	685.7	C24H30Br3ClN2O4	54.4	637	.	34	2	6	7	"InChI=1S/C24H29Br3N2O4.ClH/c1-24(2)12-16-19(25)20(26)21(27)23(22(16)33-24)32-14-15(30)13-28-8-10-29(11-9-28)17-6-4-5-7-18(17)31-3;/h4-7,15,30H,8-14H2,1-3H3;1H"	CC1(CC2=C(O1)C(=C(C(=C2Br)Br)Br)OCC(CN3CCN(CC3)C4=CC=CC=C4OC)O)C.Cl	GNYCBWFIZGHEQA-UHFFFAOYSA-N
DG66864	methyl 7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate;hydrochloride	45028089	NSC741087; NSC-741087; 6-(O-ethyl-2 -morpholino)-7-(p-methoxycinnamoyl)-3-methyl-2-benzo[b]furan carboxylic acid methyl ester hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741087	.	.	.	.	516	C27H30ClNO7	87.4	729	.	36	1	8	10	"InChI=1S/C27H29NO7.ClH/c1-18-21-9-11-23(34-17-14-28-12-15-33-16-13-28)24(26(21)35-25(18)27(30)32-3)22(29)10-6-19-4-7-20(31-2)8-5-19;/h4-11H,12-17H2,1-3H3;1H/b10-6+;"	CC1=C(OC2=C1C=CC(=C2C(=O)/C=C/C3=CC=C(C=C3)OC)OCCN4CCOCC4)C(=O)OC.Cl	FCYOMTWQXJOWHH-AAGWESIMSA-N
DG66865	methyl 7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-carboxylate;hydrochloride	45028091	NSC741088; NSC-741088; 6-(O-propyl-3 -piperidino)-7-(p-methoxycinnamoyl)-3-methyl-2-benzo[b]furan carboxylic acid methyl ester hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741088	.	.	.	.	528	C29H34ClNO6	78.2	742	.	37	1	7	11	"InChI=1S/C29H33NO6.ClH/c1-20-23-13-15-25(35-19-7-18-30-16-5-4-6-17-30)26(28(23)36-27(20)29(32)34-3)24(31)14-10-21-8-11-22(33-2)12-9-21;/h8-15H,4-7,16-19H2,1-3H3;1H/b14-10+;"	CC1=C(OC2=C1C=CC(=C2C(=O)/C=C/C3=CC=C(C=C3)OC)OCCCN4CCCCC4)C(=O)OC.Cl	ZHNILHNTRLIOFL-KMZJGFRYSA-N
DG66866	"7,6-dimethyl-4-oxo-4H-pyrrolo[3,2,1-ij]quinoline-1-carboxylic acid ethyl ester"	45028122	"NSC741202; NSC-741202; 7,6-dimethyl-4-oxo-4H-pyrrolo[3,2,1-ij]quinoline-1-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741202	.	.	.	.	385.4	C20H19NO7	101	730	2.2	28	0	7	7	"InChI=1S/C20H19NO7/c1-6-26-20(25)17-10(3)21-15(24)7-9(2)16-18(21)13(17)8-14(27-11(4)22)19(16)28-12(5)23/h7-8H,6H2,1-5H3"	CCOC(=O)C1=C(N2C(=O)C=C(C3=C2C1=CC(=C3OC(=O)C)OC(=O)C)C)C	HWWPFILBVRXMNW-UHFFFAOYSA-N
DG66867	"2-(5,2-Dihydro-quinoline-8-yl)-3-isobutylamino-but-2-enoic acid ethyl ester"	45028123	"NSC741203; NSC-741203; 2-(5,2-dihydro-quinoline-8-yl)-3-isobutylamino-but-2-enoic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741203	.	.	.	.	374.4	C20H26N2O5	108	640	3.2	27	4	6	7	"InChI=1S/C20H26N2O5/c1-6-27-20(26)17(12(5)21-9-10(2)3)13-8-14(23)19(25)16-11(4)7-15(24)22-18(13)16/h7-8,10,21,23,25H,6,9H2,1-5H3,(H,22,24)/b17-12-"	CCOC(=O)/C(=C(/C)\\NCC(C)C)/C1=CC(=C(C2=C1NC(=O)C=C2C)O)O	IRDFLHRAKNXOOX-ATVHPVEESA-N
DG66868	"3,5-diyl)bis(5-chloro-1-methyl-1H-indole)"	45028129	"NSC741212; NSC-741212; 3,5-diyl)bis(5-chloro-1-methyl-1H-indole)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741212	.	.	.	.	394.3	C22H17Cl2N3	25.6	500	5.4	27	1	0	2	"InChI=1S/C22H17Cl2N3/c1-26-11-17(15-9-13(23)3-7-21(15)26)19-5-6-20(25-19)18-12-27(2)22-8-4-14(24)10-16(18)22/h3-12,25H,1-2H3"	CN1C=C(C2=C1C=CC(=C2)Cl)C3=CC=C(N3)C4=CN(C5=C4C=C(C=C5)Cl)C	NCGZRQCAVPMZRF-UHFFFAOYSA-N
DG66869	"6-(phenylethynyl)-5-(3,5-trimethoxyphenyl)-2H-pyran-2-one"	45028146	"NSC741287; NSC-741287; 6-(phenylethynyl)-5-(3,5-trimethoxyphenyl)-2H-pyran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741287	.	.	.	.	362.4	C22H18O5	54	645	3.9	27	0	5	6	"InChI=1S/C22H18O5/c1-24-19-13-16(14-20(25-2)22(19)26-3)17-10-12-21(23)27-18(17)11-9-15-7-5-4-6-8-15/h4-8,10,12-14H,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2=C(OC(=O)C=C2)C#CC3=CC=CC=C3	KBJMQVSEFOSBNW-UHFFFAOYSA-N
DG66870	"6-(phenylethynyl)-5-[(3,5-trimethoxyphenyl)ethynyl]-2H-pyran-2-one"	45028147	"NSC741288; NSC-741288; 6-(phenylethynyl)-5-[(3,5-trimethoxyphenyl)ethynyl]-2H-pyran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741288	.	.	.	.	386.4	C24H18O5	54	776	4.3	29	0	5	7	"InChI=1S/C24H18O5/c1-26-21-15-18(16-22(27-2)24(21)28-3)9-11-19-12-14-23(25)29-20(19)13-10-17-7-5-4-6-8-17/h4-8,12,14-16H,1-3H3"	COC1=CC(=CC(=C1OC)OC)C#CC2=C(OC(=O)C=C2)C#CC3=CC=CC=C3	WTFMOKPCXXJBOF-UHFFFAOYSA-N
DG66871	"5-[(3-hydroxy-4-methoxyphenyl)ethynyl]-6-(3,5-trimethoxyphenyl)-2H-pyran-2-one"	45028148	"NSC741289; NSC-741289; 5-[(3-hydroxy-4-methoxyphenyl)ethynyl]-6-(3,5-trimethoxyphenyl)-2H-pyran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741289	.	.	.	.	408.4	C23H20O7	83.4	729	3.5	30	1	7	7	"InChI=1S/C23H20O7/c1-26-18-9-6-14(11-17(18)24)5-7-15-8-10-21(25)30-22(15)16-12-19(27-2)23(29-4)20(13-16)28-3/h6,8-13,24H,1-4H3"	COC1=C(C=C(C=C1)C#CC2=C(OC(=O)C=C2)C3=CC(=C(C(=C3)OC)OC)OC)O	MCQOKPBDVYAKPY-UHFFFAOYSA-N
DG66872	"5-(3-hydroxy-4-methoxyphenyl)-6-(3,5-trimethoxyphenyl)-2H-pyran-2-one"	45028149	"NSC741290; NSC-741290; 5-(3-hydroxy-4-methoxyphenyl)-6-(3,5-trimethoxyphenyl)-2H-pyran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741290	.	.	.	.	384.4	C21H20O7	83.4	600	3.1	28	1	7	6	"InChI=1S/C21H20O7/c1-24-16-7-5-12(9-15(16)22)14-6-8-19(23)28-20(14)13-10-17(25-2)21(27-4)18(11-13)26-3/h5-11,22H,1-4H3"	COC1=C(C=C(C=C1)C2=C(OC(=O)C=C2)C3=CC(=C(C(=C3)OC)OC)OC)O	UKDQCIHVKSGIHE-UHFFFAOYSA-N
DG66873	"6-(3-hydroxy-4-methoxyphenyl)-5-(3,5-trimethoxyphenyl)-2H-pyran-2-one"	45028150	"NSC741291; NSC-741291; 6-(3-hydroxy-4-methoxyphenyl)-5-(3,5-trimethoxyphenyl)-2H-pyran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741291	.	.	.	.	384.4	C21H20O7	83.4	600	3.1	28	1	7	6	"InChI=1S/C21H20O7/c1-24-16-7-5-12(9-15(16)22)20-14(6-8-19(23)28-20)13-10-17(25-2)21(27-4)18(11-13)26-3/h5-11,22H,1-4H3"	COC1=C(C=C(C=C1)C2=C(C=CC(=O)O2)C3=CC(=C(C(=C3)OC)OC)OC)O	XUSZWPNKUBJZAP-UHFFFAOYSA-N
DG66874	"6-(3-hydroxy-4-methoxyphenyl)-5-[(3,5-trimethoxyphenyl)ethynyl]-2H-pyran-2-one"	45028151	"NSC741292; NSC-741292; 6-(3-hydroxy-4-methoxyphenyl)-5-[(3,5-trimethoxyphenyl)ethynyl]-2H-pyran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741292	.	.	.	.	408.4	C23H20O7	83.4	729	3.5	30	1	7	7	"InChI=1S/C23H20O7/c1-26-18-9-7-16(13-17(18)24)22-15(8-10-21(25)30-22)6-5-14-11-19(27-2)23(29-4)20(12-14)28-3/h7-13,24H,1-4H3"	COC1=C(C=C(C=C1)C2=C(C=CC(=O)O2)C#CC3=CC(=C(C(=C3)OC)OC)OC)O	KZYFWCYVKMFMDW-UHFFFAOYSA-N
DG66875	"5-(3-hydroxy-4-methoxyphenyl)-6-[(3,5-trimethoxyphenyl)ethynyl]-2H-pyran-2-one"	45028152	"NSC741293; NSC-741293; 5-(3-hydroxy-4-methoxyphenyl)-6-[(3,5-trimethoxyphenyl)ethynyl]-2H-pyran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741293	.	.	.	.	408.4	C23H20O7	83.4	729	3.5	30	1	7	7	"InChI=1S/C23H20O7/c1-26-19-9-6-15(13-17(19)24)16-7-10-22(25)30-18(16)8-5-14-11-20(27-2)23(29-4)21(12-14)28-3/h6-7,9-13,24H,1-4H3"	COC1=C(C=C(C=C1)C2=C(OC(=O)C=C2)C#CC3=CC(=C(C(=C3)OC)OC)OC)O	HIWILIGTUKVAQC-UHFFFAOYSA-N
DG66876	"methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate"	45028154	NSC741299; NSC-741299	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741299	.	.	.	.	418.3	C20H17Cl2N3O3	75.7	533	6	28	2	5	7	"InChI=1S/C20H17Cl2N3O3/c1-27-13-8-6-12(7-9-13)18-10-14(20(26)28-2)19(24-18)25-23-11-15-16(21)4-3-5-17(15)22/h3-11,24-25H,1-2H3/b23-11+"	COC1=CC=C(C=C1)C2=CC(=C(N2)N/N=C/C3=C(C=CC=C3Cl)Cl)C(=O)OC	JVDJXOLMFJIQMD-FOKLQQMPSA-N
DG66877	"methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carboxylate"	45028155	NSC741300; NSC-741300	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741300	.	.	.	.	448.3	C21H19Cl2N3O4	84.9	587	5.9	30	2	6	8	"InChI=1S/C21H19Cl2N3O4/c1-28-18-8-7-12(9-19(18)29-2)17-10-13(21(27)30-3)20(25-17)26-24-11-14-15(22)5-4-6-16(14)23/h4-11,25-26H,1-3H3/b24-11+"	COC1=C(C=C(C=C1)C2=CC(=C(N2)N/N=C/C3=C(C=CC=C3Cl)Cl)C(=O)OC)OC	RMHKXLLWBNVOEL-BHGWPJFGSA-N
DG66878	"2-N-[2-(3,5-dimethoxyphenyl)ethyl]-3-phenylquinoxaline-2,5,7-triamine"	45028164	NSC741337; NSC-741337	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741337	.	.	.	.	415.5	C24H25N5O2	108	534	3.7	31	3	7	7	"InChI=1S/C24H25N5O2/c1-30-18-10-15(11-19(14-18)31-2)8-9-27-24-22(16-6-4-3-5-7-16)29-23-20(26)12-17(25)13-21(23)28-24/h3-7,10-14H,8-9,25-26H2,1-2H3,(H,27,28)"	COC1=CC(=CC(=C1)CCNC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N)OC	LBMYNUBKXLYKQW-UHFFFAOYSA-N
DG66879	"12-Benzyl-6-dimethylamino-12H-indeno[2',5]pyrrolo[3,2-c]chinolin-7-one"	45028167	"NSC741340; NSC-741340; 12-Benzyl-6-dimethylamino-12H-indeno[2',5]pyrrolo[3,2-c]chinolin-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741340	.	.	.	.	403.5	C27H21N3O	38.1	673	5.5	31	0	3	3	"InChI=1S/C27H21N3O/c1-29(2)27-23-22-24(18-12-6-7-13-19(18)26(22)31)30(16-17-10-4-3-5-11-17)25(23)20-14-8-9-15-21(20)28-27/h3-15H,16H2,1-2H3"	CN(C)C1=NC2=CC=CC=C2C3=C1C4=C(N3CC5=CC=CC=C5)C6=CC=CC=C6C4=O	NJRBMBHRQIJOFJ-UHFFFAOYSA-N
DG66880	"6-[4-(Dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile"	45028178	NSC741364; NSC-741364	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741364	.	.	.	.	474.6	C27H30N4O4	80.1	687	4	35	0	8	7	"InChI=1S/C27H30N4O4/c1-30(2)20-8-6-18(7-9-20)23-16-21(19-14-24(32-3)26(34-5)25(15-19)33-4)22(17-28)27(29-23)31-10-12-35-13-11-31/h6-9,14-16H,10-13H2,1-5H3"	CN(C)C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C(C(=C3)OC)OC)OC)C#N)N4CCOCC4	FYXQRFVJGWWYJQ-UHFFFAOYSA-N
DG66881	"2-(4,6-Dioxo-cyclohexa-1,4-dienylmethylene)-decanoic acid"	45028184	"NSC741402; NSC-741402; 2-(4,6-dioxo-cyclohexa-1,4-dienylmethylene)-decanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741402	.	.	.	.	364.4	C20H28O6	89.9	651	4.8	26	1	6	11	"InChI=1S/C20H28O6/c1-5-6-7-8-9-10-11-14(20(23)24)12-15-13(2)16(21)18(25-3)19(26-4)17(15)22/h12H,5-11H2,1-4H3,(H,23,24)/b14-12+"	CCCCCCCC/C(=C\\C1=C(C(=O)C(=C(C1=O)OC)OC)C)/C(=O)O	PHYCYYJXLLWDLJ-WYMLVPIESA-N
DG66882	4-(5'-Bromofuran-2'-yl)-3-bromo-but-3-en-2-one	45028185	NSC741412; NSC-741412; 4-(5'-bromofuran-2'-yl)-3-bromo-but-3-en-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741412	.	.	.	.	293.94	C8H6Br2O2	30.2	213	3.1	12	0	2	2	"InChI=1S/C8H6Br2O2/c1-5(11)7(9)4-6-2-3-8(10)12-6/h2-4H,1H3/b7-4-"	CC(=O)/C(=C/C1=CC=C(O1)Br)/Br	NAFYCKOMKHQPGG-DAXSKMNVSA-N
DG66883	5-Methoxy-3-[5-(5-methoxy-1-methylindol-3-yl)furan-2-yl]-1-methylindole	45028187	CHEMBL1165189; NSC741440; NSC-741440	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741440	.	.	.	.	386.4	C24H22N2O3	41.5	526	4.4	29	0	3	4	"InChI=1S/C24H22N2O3/c1-25-13-19(17-11-15(27-3)5-7-21(17)25)23-9-10-24(29-23)20-14-26(2)22-8-6-16(28-4)12-18(20)22/h5-14H,1-4H3"	CN1C=C(C2=C1C=CC(=C2)OC)C3=CC=C(O3)C4=CN(C5=C4C=C(C=C5)OC)C	HSGZDGBPDNLOFS-UHFFFAOYSA-N
DG66884	"1-(4-{3-[4-(2-methoxy phenyl)hexahydro-1-pyrazinyl]propoxy}phenyl)-2-(2-oxo-2,3-dihydro-1H-3-indolyliden)-1-ethanone"	45028190	"NSC741458; NSC-741458; 1-(4-{3-[4-(2-methoxy phenyl)hexahydro-1-pyrazinyl]propoxy}phenyl)-2-(2-oxo-2,3-dihydro-1H-3-indolyliden)-1-ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741458	.	.	.	.	497.6	C30H31N3O4	71.1	801	4.3	37	1	6	9	"InChI=1S/C30H31N3O4/c1-36-29-10-5-4-9-27(29)33-18-16-32(17-19-33)15-6-20-37-23-13-11-22(12-14-23)28(34)21-25-24-7-2-3-8-26(24)31-30(25)35/h2-5,7-14,21H,6,15-20H2,1H3,(H,31,35)/b25-21+"	COC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC=C(C=C3)C(=O)/C=C/4\\C5=CC=CC=C5NC4=O	CZWVQPPTHSWRMK-NJNXFGOHSA-N
DG66885	"1-Benzo[b]thiophen-3-yl-3-(4-quinoxalin-2-yl-[1,4]diazepan-1-yl)-propan-1-one"	45028192	"CHEMBL1782801; NSC741463; NSC-741463; 1-Benzo[b]thiophen-3-yl-3-(4-quinoxalin-2-yl-[1,4]diazepan-1-yl)-propan-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741463	.	.	.	.	416.5	C24H24N4OS	77.6	590	4.2	30	0	6	5	"InChI=1S/C24H24N4OS/c29-22(19-17-30-23-9-4-1-6-18(19)23)10-13-27-11-5-12-28(15-14-27)24-16-25-20-7-2-3-8-21(20)26-24/h1-4,6-9,16-17H,5,10-15H2"	C1CN(CCN(C1)C2=NC3=CC=CC=C3N=C2)CCC(=O)C4=CSC5=CC=CC=C54	PLUYBLULVPKJTP-UHFFFAOYSA-N
DG66886	"N2-(3,5,7-triamine"	45028195	"N2-(3,5,7-triamine; NSC741584; NSC-741584"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741584	.	.	.	.	424.3	C22H19Cl2N5	89.8	517	5	29	3	5	5	"InChI=1S/C22H19Cl2N5/c23-16-7-6-13(10-17(16)24)8-9-27-22-20(14-4-2-1-3-5-14)29-21-18(26)11-15(25)12-19(21)28-22/h1-7,10-12H,8-9,25-26H2,(H,27,28)"	C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2NCCC4=CC(=C(C=C4)Cl)Cl)N)N	MRJUELJRHRZODX-UHFFFAOYSA-N
DG66887	"2,6-Dichloro-9-[[4-[4-(chloromethyl)phenyl]phenyl]methyl]purine"	45028198	NSC741604; NSC-741604	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741604	.	.	.	.	403.7	C19H13Cl3N4	43.6	452	5.6	26	0	3	4	"InChI=1S/C19H13Cl3N4/c20-9-12-1-5-14(6-2-12)15-7-3-13(4-8-15)10-26-11-23-16-17(21)24-19(22)25-18(16)26/h1-8,11H,9-10H2"	C1=CC(=CC=C1CN2C=NC3=C2N=C(N=C3Cl)Cl)C4=CC=C(C=C4)CCl	LEZQXBODLBMOIT-UHFFFAOYSA-N
DG66888	Methyl (Z)-3-(5-bromoindol-3-yl)-2-bromoacrylate	45028205	NSC741638; NSC-741638; Methyl (Z)-3-(5-bromoindol-3-yl)-2-bromoacrylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741638	.	.	.	.	359.01	C12H9Br2NO2	42.1	333	3.9	17	1	2	3	"InChI=1S/C12H9Br2NO2/c1-17-12(16)10(14)4-7-6-15-11-3-2-8(13)5-9(7)11/h2-6,15H,1H3/b10-4-"	COC(=O)/C(=C/C1=CNC2=C1C=C(C=C2)Br)/Br	JTZWNQCPSRJHQQ-WMZJFQQLSA-N
DG66889	"1,6,6-trimethylcyclohex-1-en-1-yl)-1(E)-heptadiene-3,5-dione"	45028209	"SCHEMBL1761126; NSC741745; NSC-741745; 1,6,6-trimethylcyclohex-1-en-1-yl)-1(E)-heptadiene-3,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741745	.	.	.	.	368.6	C25H36O2	34.1	661	5.7	27	0	2	6	"InChI=1S/C25H36O2/c1-18-9-7-15-24(3,4)22(18)13-11-20(26)17-21(27)12-14-23-19(2)10-8-16-25(23,5)6/h11-14H,7-10,15-17H2,1-6H3/b13-11+,14-12+"	CC1=C(C(CCC1)(C)C)/C=C/C(=O)CC(=O)/C=C/C2=C(CCCC2(C)C)C	MHTFRRWVRDWQPA-PHEQNACWSA-N
DG66890	"(3Z)-3-[[6-(2-bromo-3,4,5-trimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one"	45028217	NSC-741769; NSC741769	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741769	.	.	.	.	526.4	C24H20BrN3O4S	102	772	5.5	33	1	6	5	"InChI=1S/C24H20BrN3O4S/c1-12-11-28-17(9-14-13-7-5-6-8-16(13)26-23(14)29)20(27-24(28)33-12)15-10-18(30-2)21(31-3)22(32-4)19(15)25/h5-11H,1-4H3,(H,26,29)/b14-9-"	CC1=CN2C(=C(N=C2S1)C3=CC(=C(C(=C3Br)OC)OC)OC)/C=C\\4/C5=CC=CC=C5NC4=O	HCQJJKOZXHHWNS-ZROIWOOFSA-N
DG66891	"(3Z)-5-bromo-3-[(2-chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one"	45028220	NSC741773; NSC-741773	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741773	.	.	.	.	431.7	C20H16BrClN2O2	43.3	600	5	26	1	2	2	"InChI=1S/C20H16BrClN2O2/c1-10-6-17-13(9-18(10)26-3)14(19(22)24(17)2)8-15-12-7-11(21)4-5-16(12)23-20(15)25/h4-9H,1-3H3,(H,23,25)/b15-8-"	CC1=CC2=C(C=C1OC)C(=C(N2C)Cl)/C=C\\3/C4=C(C=CC(=C4)Br)NC3=O	RHXAZNRSVNENCZ-NVNXTCNLSA-N
DG66892	"(3E)-3-[[2-chloro-5-methoxy-6-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]indol-3-yl]methylidene]-5-hydroxy-1H-indol-2-one"	45028221	CHEMBL3235824; NSC741774; NSC-741774	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741774	.	.	.	.	535	C29H27ClN2O6	91.2	860	5.4	38	2	6	7	"InChI=1S/C29H27ClN2O6/c1-15-8-23-19(13-24(15)35-2)20(12-21-18-11-17(33)6-7-22(18)31-29(21)34)28(30)32(23)14-16-9-25(36-3)27(38-5)26(10-16)37-4/h6-13,33H,14H2,1-5H3,(H,31,34)/b21-12+"	CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC(=C(C(=C3)OC)OC)OC)Cl)/C=C/4\\C5=C(C=CC(=C5)O)NC4=O	YLFKEARFNZKJSN-CIAFOILYSA-N
DG66893	"(3E)-3-[[6-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one"	45028236	NSC741799; NSC-741799	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741799	.	.	.	.	403.5	C20H13N5OS2	120	690	4.9	28	1	5	2	"InChI=1S/C20H13N5OS2/c1-11-17(25-7-9-27-19(25)21-11)16-15(24-6-8-28-20(24)23-16)10-13-12-4-2-3-5-14(12)22-18(13)26/h2-10H,1H3,(H,22,26)/b13-10+"	CC1=C(N2C=CSC2=N1)C3=C(N4C=CSC4=N3)/C=C/5\\C6=CC=CC=C6NC5=O	GQUFJESWAIQYQS-JLHYYAGUSA-N
DG66894	Acyclic trans-Butenebispurine	45028237	Acyclic trans-Butenebispurine; NSC741850; NSC-741850	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741850	.	.	.	.	430.1	C14H8Cl4N8	87.2	483	4.2	26	0	6	4	"InChI=1S/C14H8Cl4N8/c15-9-7-11(23-13(17)21-9)25(5-19-7)3-1-2-4-26-6-20-8-10(16)22-14(18)24-12(8)26/h1-2,5-6H,3-4H2/b2-1+"	C1=NC2=C(N1C/C=C/CN3C=NC4=C3N=C(N=C4Cl)Cl)N=C(N=C2Cl)Cl	QFBSXOFILLQVEF-OWOJBTEDSA-N
DG66895	"2,6-dichloro-7-[(Z)-4-(2,6-dichloropurin-9-yl)but-2-enyl]purine"	45028239	NSC741852; NSC-741852	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741852	.	.	.	.	430.1	C14H8Cl4N8	87.2	527	4.2	26	0	6	4	"InChI=1S/C14H8Cl4N8/c15-9-7-12(24-14(18)21-9)26(5-19-7)4-2-1-3-25-6-20-11-8(25)10(16)22-13(17)23-11/h1-2,5-6H,3-4H2/b2-1-"	C1=NC2=C(N1C/C=C\\CN3C=NC4=C3C(=NC(=N4)Cl)Cl)N=C(N=C2Cl)Cl	INKZPEHGVFMESZ-UPHRSURJSA-N
DG66896	Acyclic Butynebispurine	45028240	Acyclic Butynebispurine; NSC741853; NSC-741853	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741853	.	.	.	.	428.1	C14H6Cl4N8	87.2	538	4	26	0	6	2	"InChI=1S/C14H6Cl4N8/c15-9-7-11(23-13(17)21-9)25(5-19-7)3-1-2-4-26-6-20-8-10(16)22-14(18)24-12(8)26/h5-6H,3-4H2"	C1=NC2=C(N1CC#CCN3C=NC4=C3N=C(N=C4Cl)Cl)N=C(N=C2Cl)Cl	RRIJYUPXUPUNDA-UHFFFAOYSA-N
DG66897	"4,4'-[N-(2-iminoethylene) N-methyl imino)benzenecarboximidamide"	45028251	"NSC741916; NSC-741916; 4,4'-[N-(2-iminoethylene) N-methyl imino)benzenecarboximidamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741916	.	.	.	.	346.9	C17H23ClN6	115	394	.	24	6	4	7	"InChI=1S/C17H22N6.ClH/c1-23(15-8-4-13(5-9-15)17(20)21)11-10-22-14-6-2-12(3-7-14)16(18)19;/h2-9,22H,10-11H2,1H3,(H3,18,19)(H3,20,21);1H"	CN(CCNC1=CC=C(C=C1)C(=N)N)C2=CC=C(C=C2)C(=N)N.Cl	QZGXJSAMGVAJMU-UHFFFAOYSA-N
DG66898	"N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]aniline"	45028258	CHEMBL1224178; NSC741940; NSC-741940	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741940	.	.	.	.	355.4	C20H25N3O3	55.3	463	3.4	26	1	6	6	"InChI=1S/C20H25N3O3/c1-23(2)15-8-6-13(7-9-15)16-12-17(22-21-16)14-10-18(24-3)20(26-5)19(11-14)25-4/h6-11,16,21H,12H2,1-5H3"	CN(C)C1=CC=C(C=C1)C2CC(=NN2)C3=CC(=C(C(=C3)OC)OC)OC	NJUMGXRDWXQICJ-UHFFFAOYSA-N
DG66899	"5-(3-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole"	45028260	CHEMBL1224111; NSC741942; NSC-741942	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741942	.	.	.	.	342.4	C19H22N2O4	61.3	445	3.2	25	1	6	6	"InChI=1S/C19H22N2O4/c1-22-14-7-5-6-12(8-14)15-11-16(21-20-15)13-9-17(23-2)19(25-4)18(10-13)24-3/h5-10,15,20H,11H2,1-4H3"	COC1=CC=CC(=C1)C2CC(=NN2)C3=CC(=C(C(=C3)OC)OC)OC	QBHAJKKPBMRTJO-UHFFFAOYSA-N
DG66900	"N,N-diethyl-4-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]aniline"	45028261	CHEMBL1224179; NSC741943; NSC-741943	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741943	.	.	.	.	383.5	C22H29N3O3	55.3	489	4.1	28	1	6	8	"InChI=1S/C22H29N3O3/c1-6-25(7-2)17-10-8-15(9-11-17)18-14-19(24-23-18)16-12-20(26-3)22(28-5)21(13-16)27-4/h8-13,18,23H,6-7,14H2,1-5H3"	CCN(CC)C1=CC=C(C=C1)C2CC(=NN2)C3=CC(=C(C(=C3)OC)OC)OC	QSGXVBYFOGLRIO-UHFFFAOYSA-N
DG66901	Ethoxycurcumin trithiadiazolaminomethylcarbonte	45028266	"NSC742020; NSC-742020; Ethoxycurcumin trithiadiazolaminomethylcarbonte; Bis[[(5-methyl-1,3,4-thiadiazole-2-yl)amino]acetic acid][4-[[(5-methyl-1,3,4-thiadiazole-2-yl)amino]acetyl]3,5-dioxo-1,6-heptadiene-1,7-diyl]bis(3-ethoxy-1,4-phenylene) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742020	.	.	.	.	862	C38H39N9O9S3	320	1400	6.8	59	3	21	24	"InChI=1S/C38H39N9O9S3/c1-6-53-31-16-24(10-14-29(31)55-33(51)19-40-37-46-43-22(4)58-37)8-12-26(48)35(28(50)18-39-36-45-42-21(3)57-36)27(49)13-9-25-11-15-30(32(17-25)54-7-2)56-34(52)20-41-38-47-44-23(5)59-38/h8-17,35H,6-7,18-20H2,1-5H3,(H,39,45)(H,40,46)(H,41,47)/b12-8+,13-9+"	CCOC1=C(C=CC(=C1)/C=C/C(=O)C(C(=O)/C=C/C2=CC(=C(C=C2)OC(=O)CNC3=NN=C(S3)C)OCC)C(=O)CNC4=NN=C(S4)C)OC(=O)CNC5=NN=C(S5)C	FQZRCTLOIJPSEI-QHKWOANTSA-N
DG66902	Curcumin tri trithiadiazolaminoethylcarbonate	45028268	NSC742022; NSC-742022; curcumin tri trithiadiazolaminoethylcarbonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742022	.	.	.	.	876	C39H41N9O9S3	320	1410	7.4	60	3	21	25	"InChI=1S/C39H41N9O9S3/c1-22-43-46-37(58-22)40-17-14-29(51)36(27(49)10-6-25-8-12-30(32(20-25)54-4)56-34(52)15-18-41-38-47-44-23(2)59-38)28(50)11-7-26-9-13-31(33(21-26)55-5)57-35(53)16-19-42-39-48-45-24(3)60-39/h6-13,20-21,36H,14-19H2,1-5H3,(H,40,46)(H,41,47)(H,42,48)/b10-6+,11-7+"	CC1=NN=C(S1)NCCC(=O)C(C(=O)/C=C/C2=CC(=C(C=C2)OC(=O)CCNC3=NN=C(S3)C)OC)C(=O)/C=C/C4=CC(=C(C=C4)OC(=O)CCNC5=NN=C(S5)C)OC	MZBNBCXIVRFIPQ-JMQWPVDRSA-N
DG66903	"1,N-diethylaminoethylaminoacetyloxy)-3-ethoxyphenyl)-1,6-heptadien-3,5-dione"	45028273	"CHEMBL2259872; BDBM50487864; NSC742027; NSC-742027; 1,N-diethylaminoethylaminoacetyloxy)-3-ethoxyphenyl)-1,6-heptadien-3,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742027	.	.	.	.	708.9	C39H56N4O8	136	995	4.9	51	2	12	28	"InChI=1S/C39H56N4O8/c1-7-42(8-2)23-21-40-28-38(46)50-34-19-15-30(25-36(34)48-11-5)13-17-32(44)27-33(45)18-14-31-16-20-35(37(26-31)49-12-6)51-39(47)29-41-22-24-43(9-3)10-4/h13-20,25-26,40-41H,7-12,21-24,27-29H2,1-6H3/b17-13+,18-14+"	CCN(CCNCC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)OC(=O)CNCCN(CC)CC)OCC)OCC)CC	LFISOHASIAJBPL-HBKJEHTGSA-N
DG66904	"methyl 1-[7-[bis-(4-methylphenyl)sulfonylamino]-3-(hydroxymethyl)-6-methoxyquinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate"	45028275	NSC742035; NSC-742035	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742035	.	.	.	.	736.8	C38H32N4O8S2	186	1400	6.1	52	2	11	10	"InChI=1S/C38H32N4O8S2/c1-22-9-13-26(14-10-22)51(45,46)42(52(47,48)27-15-11-23(2)12-16-27)33-20-31-24(18-34(33)49-3)17-25(21-43)35(40-31)37-36-29(19-32(41-37)38(44)50-4)28-7-5-6-8-30(28)39-36/h5-20,39,43H,21H2,1-4H3"	CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=NC(=C(C=C3C=C2OC)CO)C4=C5C(=CC(=N4)C(=O)OC)C6=CC=CC=C6N5)S(=O)(=O)C7=CC=C(C=C7)C	RJLZRLDSQQXPBY-UHFFFAOYSA-N
DG66905	"1,9-[6-Methoxy-7-(ditosylamino)quinoline-2,3-diylcarbonyl]-beta-carboline-3-carboxylic acid methyl ester"	45028276	"NSC742036; NSC-742036; 1,9-[6-Methoxy-7-(ditosylamino)quinoline-2,3-diylcarbonyl]-beta-carboline-3-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742036	.	.	.	.	732.8	C38H28N4O8S2	172	1520	6.6	52	0	11	8	"InChI=1S/C38H28N4O8S2/c1-21-9-13-24(14-10-21)51(45,46)42(52(47,48)25-15-11-22(2)12-16-25)32-20-29-23(18-33(32)49-3)17-28-34(39-29)35-36-27(19-30(40-35)38(44)50-4)26-7-5-6-8-31(26)41(36)37(28)43/h5-20H,1-4H3"	CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=NC4=C(C=C3C=C2OC)C(=O)N5C6=CC=CC=C6C7=CC(=NC4=C75)C(=O)OC)S(=O)(=O)C8=CC=C(C=C8)C	BVLBWHFVIQTRFE-UHFFFAOYSA-N
DG66906	NSC742037	45028277	"Methyl 10-oxo-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(24),2(11),4,6,8,14,16,18,20,22-decaene-22-carboxylate; NSC742037; NSC-742037"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742037	.	.	.	.	381.4	C23H15N3O3	73.2	765	3.4	29	1	5	2	"InChI=1S/C23H15N3O3/c1-29-23(28)17-10-14-12-6-3-5-9-18(12)26-11-15-19(20(25-17)21(14)26)24-16-8-4-2-7-13(16)22(15)27/h2-10H,11H2,1H3,(H,24,27)"	COC(=O)C1=NC2=C3C(=C1)C4=CC=CC=C4N3CC5=C2NC6=CC=CC=C6C5=O	SHRBGQSJQADLQB-UHFFFAOYSA-N
DG66907	"2,6-Dichloro-9-[[4-[[3-[[4-[(2,6-dichloropurin-9-yl)methyl]phenyl]methoxy]phenoxy]methyl]phenyl]methyl]purine"	45028308	NSC742146; NSC-742146	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742146	.	.	.	.	692.4	C32H22Cl4N8O2	106	891	8.1	46	0	8	10	"InChI=1S/C32H22Cl4N8O2/c33-27-25-29(41-31(35)39-27)43(17-37-25)13-19-4-8-21(9-5-19)15-45-23-2-1-3-24(12-23)46-16-22-10-6-20(7-11-22)14-44-18-38-26-28(34)40-32(36)42-30(26)44/h1-12,17-18H,13-16H2"	C1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3C=NC4=C3N=C(N=C4Cl)Cl)OCC5=CC=C(C=C5)CN6C=NC7=C6N=C(N=C7Cl)Cl	CPORTUUHLXZVRG-UHFFFAOYSA-N
DG66908	"2,6-Dichloro-9-[[3-[[3-[[3-[(2,6-dichloropurin-9-yl)methyl]phenyl]methoxy]phenoxy]methyl]phenyl]methyl]purine"	45028311	NSC742149; NSC-742149	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742149	.	.	.	.	692.4	C32H22Cl4N8O2	106	907	8.1	46	0	8	10	"InChI=1S/C32H22Cl4N8O2/c33-27-25-29(41-31(35)39-27)43(17-37-25)13-19-4-1-6-21(10-19)15-45-23-8-3-9-24(12-23)46-16-22-7-2-5-20(11-22)14-44-18-38-26-28(34)40-32(36)42-30(26)44/h1-12,17-18H,13-16H2"	C1=CC(=CC(=C1)COC2=CC(=CC=C2)OCC3=CC=CC(=C3)CN4C=NC5=C4N=C(N=C5Cl)Cl)CN6C=NC7=C6N=C(N=C7Cl)Cl	BHLVVFVPOJWVFJ-UHFFFAOYSA-N
DG66909	"3-Amino-6-(3-chloropropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	45028325	"SCHEMBL16312072; NSC742222; NSC-742222; 3-Amino-6-(3-chloropropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742222	.	.	.	.	368.8	C20H17ClN2O3	72.6	635	2.6	26	1	4	4	"InChI=1S/C20H17ClN2O3/c1-26-12-4-6-14-15(10-12)19(24)17-13-5-3-11(22)9-16(13)20(25)23(18(14)17)8-2-7-21/h3-6,9-10H,2,7-8,22H2,1H3"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)N)C(=O)N3CCCCl	ULOUSILASNUWAJ-UHFFFAOYSA-N
DG66910	"4-N-(5,6-dimethoxy-4-methylquinolin-8-yl)pentane-1,4-diamine;phosphoric acid"	45028339	"NSC742253; NSC-742253; 8-(4-Amino-1-methylbutyl)-amino-4-methyl-5, diphosphate,"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742253	.	.	.	.	401.4	C17H28N3O6P	147	379	.	27	5	9	7	"InChI=1S/C17H25N3O2.H3O4P/c1-11-7-9-19-16-13(20-12(2)6-5-8-18)10-14(21-3)17(22-4)15(11)16;1-5(2,3)4/h7,9-10,12,20H,5-6,8,18H2,1-4H3;(H3,1,2,3,4)"	CC1=C2C(=C(C=C(C2=NC=C1)NC(C)CCCN)OC)OC.OP(=O)(O)O	DSNRNBJXFVCLPZ-UHFFFAOYSA-N
DG66911	"(6aS)-3-[4-[4-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one"	45028353	SCHEMBL1345696; CHEMBL1172409; NSC742293; NSC-742293	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742293	.	.	.	.	527.6	C30H29N3O4S	102	821	5.6	38	0	7	9	"InChI=1S/C30H29N3O4S/c1-35-26-17-23-25(31-19-21-7-6-14-33(21)30(23)34)18-27(26)37-16-5-4-15-36-22-12-10-20(11-13-22)29-32-24-8-2-3-9-28(24)38-29/h2-3,8-13,17-19,21H,4-7,14-16H2,1H3/t21-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OCCCCOC4=CC=C(C=C4)C5=NC6=CC=CC=C6S5	HIEUCCMEZNTHRS-NRFANRHFSA-N
DG66912	NSC742294	45028354	"(6aS)-3-[4-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]butoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one; SCHEMBL1347500; CHEMBL1172181; NSC742294; NSC-742294"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742294	.	.	.	.	557.7	C31H31N3O5S	111	878	5.6	40	0	8	10	"InChI=1S/C31H31N3O5S/c1-36-26-16-20(30-33-23-9-3-4-10-29(23)40-30)11-12-25(26)38-14-5-6-15-39-28-18-24-22(17-27(28)37-2)31(35)34-13-7-8-21(34)19-32-24/h3-4,9-12,16-19,21H,5-8,13-15H2,1-2H3/t21-/m0/s1"	COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OCCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC	HLLYDTKPUVTXKU-NRFANRHFSA-N
DG66913	"(6aS)-3-[5-[4-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one"	45028355	SCHEMBL1345166; CHEMBL1173034; NSC742295; NSC-742295	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742295	.	.	.	.	541.7	C31H31N3O4S	102	837	5.9	39	0	7	10	"InChI=1S/C31H31N3O4S/c1-36-27-18-24-26(32-20-22-8-7-15-34(22)31(24)35)19-28(27)38-17-6-2-5-16-37-23-13-11-21(12-14-23)30-33-25-9-3-4-10-29(25)39-30/h3-4,9-14,18-20,22H,2,5-8,15-17H2,1H3/t22-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OCCCCCOC4=CC=C(C=C4)C5=NC6=CC=CC=C6S5	BCGRYDWRKASEES-QFIPXVFZSA-N
DG66914	"6-(3-Chloropropyl)-3-(dimethylamino)-9-methoxyindeno[1,2-c]isoquinoline-5,11-dione"	45028367	NSC742343; NSC-742343	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742343	.	.	.	.	396.9	C22H21ClN2O3	49.8	677	3.4	28	0	4	5	"InChI=1S/C22H21ClN2O3/c1-24(2)13-5-7-15-18(11-13)22(27)25(10-4-9-23)20-16-8-6-14(28-3)12-17(16)21(26)19(15)20/h5-8,11-12H,4,9-10H2,1-3H3"	CN(C)C1=CC2=C(C=C1)C3=C(C4=C(C3=O)C=C(C=C4)OC)N(C2=O)CCCCl	UAFNDTUOEFYGLX-UHFFFAOYSA-N
DG66915	"6-(3-Azidopropyl)-3-(dimethylamino)-9-methoxyindeno[1,2-c]isoquinoline-5,11-dione"	45028368	NSC742344; NSC-742344	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742344	.	.	.	.	403.4	C22H21N5O3	64.2	788	3.7	30	0	6	6	"InChI=1S/C22H21N5O3/c1-26(2)13-5-7-15-18(11-13)22(29)27(10-4-9-24-25-23)20-16-8-6-14(30-3)12-17(16)21(28)19(15)20/h5-8,11-12H,4,9-10H2,1-3H3"	CN(C)C1=CC2=C(C=C1)C3=C(C4=C(C3=O)C=C(C=C4)OC)N(C2=O)CCCN=[N+]=[N-]	QPJCSRLYQFUZED-UHFFFAOYSA-N
DG66916	"3-Amino-6-(3-azidopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	45028369	"SCHEMBL16312081; NSC742345; NSC-742345; 3-Amino-6-(3-azidopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742345	.	.	.	.	375.4	C20H17N5O3	87	744	2.9	28	1	6	5	"InChI=1S/C20H17N5O3/c1-28-12-4-6-14-15(10-12)19(26)17-13-5-3-11(21)9-16(13)20(27)25(18(14)17)8-2-7-23-24-22/h3-6,9-10H,2,7-8,21H2,1H3"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)N)C(=O)N3CCCN=[N+]=[N-]	VCWAKEUZXYMMLL-UHFFFAOYSA-N
DG66917	Peptide PTD	45028373	Peptide PTD; NSC742350; NSC-742350; Peptide PTD - sequence RKKRRQRRR-GG	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742350	.	.	.	.	1453.7	C57H112N32O13	836	2850	-15.2	102	27	22	56	"InChI=1S/C57H112N32O13/c58-21-3-1-12-33(82-43(94)31(60)11-5-23-74-52(62)63)45(96)84-34(13-2-4-22-59)46(97)85-36(16-8-26-77-55(68)69)48(99)87-38(18-10-28-79-57(72)73)50(101)89-39(19-20-40(61)90)51(102)88-37(17-9-27-78-56(70)71)49(100)86-35(15-7-25-76-54(66)67)47(98)83-32(14-6-24-75-53(64)65)44(95)81-29-41(91)80-30-42(92)93/h31-39H,1-30,58-60H2,(H2,61,90)(H,80,91)(H,81,95)(H,82,94)(H,83,98)(H,84,96)(H,85,97)(H,86,100)(H,87,99)(H,88,102)(H,89,101)(H,92,93)(H4,62,63,74)(H4,64,65,75)(H4,66,67,76)(H4,68,69,77)(H4,70,71,78)(H4,72,73,79)"	C(CCN)CC(C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NCC(=O)O)NC(=O)C(CCCN=C(N)N)N	IVYQODXBAVAAMS-UHFFFAOYSA-N
DG66918	deca-N-(S)-1-phenyl ethyl b-Ala	45028382	deca-N-(S)-1-phenyl ethyl b-Ala; NSC742384; deca-N-(S)-1-phenyl ethyl b-peptoid; NSC-742384	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742384	.	.	.	.	1770.3	C110H132N10O11	232	3390	10.8	131	2	12	50	"InChI=1S/C110H132N10O11/c1-81(91-41-21-11-22-42-91)111-71-61-101(121)112(82(2)92-43-23-12-24-44-92)72-62-102(122)113(83(3)93-45-25-13-26-46-93)73-63-103(123)114(84(4)94-47-27-14-28-48-94)74-64-104(124)115(85(5)95-49-29-15-30-50-95)75-65-105(125)116(86(6)96-51-31-16-32-52-96)76-66-106(126)117(87(7)97-53-33-17-34-54-97)77-67-107(127)118(88(8)98-55-35-18-36-56-98)78-68-108(128)119(89(9)99-57-37-19-38-58-99)79-69-109(129)120(80-70-110(130)131)90(10)100-59-39-20-40-60-100/h11-60,81-90,111H,61-80H2,1-10H3,(H,130,131)/t81 ,82-,83-,84-,85-,86-,87-,88-,89-,90-/m1/s1"	C[C@H](C1=CC=CC=C1)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)O)[C@H](C)C2=CC=CC=C2)[C@H](C)C3=CC=CC=C3)[C@H](C)C4=CC=CC=C4)[C@H](C)C5=CC=CC=C5)[C@H](C)C6=CC=CC=C6)[C@H](C)C7=CC=CC=C7)[C@H](C)C8=CC=CC=C8)[C@H](C)C9=CC=CC=C9)C(=O)CCNC(C)C1=CC=CC=C1	OLZOJRBMXAIVKQ-XEDZSBAESA-N
DG66919	5-fluoro-2'-deoxyuridyly-(3'->5')-3'-C-ethynylcytosine	45028394	NSC742410; NSC-742410; 5- fluoro-2'-deoxyuridyly-(3'->5')-3'-C-ethynylcytosine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742410	.	.	.	.	575.4	C20H23FN5O12P	243	1250	-4.9	39	6	13	9	"InChI=1S/C20H23FN5O12P/c1-2-20(32)12(37-17(15(20)28)25-4-3-13(22)23-18(25)30)8-35-39(33,34)38-10-5-14(36-11(10)7-27)26-6-9(21)16(29)24-19(26)31/h1,3-4,6,10-12,14-15,17,27-28,32H,5,7-8H2,(H,33,34)(H2,22,23,30)(H,24,29,31)"	C#CC1(C(OC(C1O)N2C=CC(=NC2=O)N)COP(=O)(O)OC3CC(OC3CO)N4C=C(C(=O)NC4=O)F)O	LOKQZRKLMDNPBW-UHFFFAOYSA-N
DG66920	"N1-[4-(1,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxypentanamide"	45028395	"CHEMBL1171059; NSC742412; NSC-742412; N1-[4-(1,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxypentanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742412	.	.	.	.	554.7	C31H30N4O4S	121	912	4.7	40	1	7	9	"InChI=1S/C31H30N4O4S/c1-38-26-17-23-25(32-19-22-7-6-15-35(22)31(23)37)18-27(26)39-16-5-4-10-29(36)33-21-13-11-20(12-14-21)30-34-24-8-2-3-9-28(24)40-30/h2-3,8-9,11-14,17-19,22H,4-7,10,15-16H2,1H3,(H,33,36)/t22-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OCCCCC(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6S5	OSFALCKEXXJRRF-QFIPXVFZSA-N
DG66921	"Pyrido[2',5]pyrimido[1,2-a]indole-5,11-dione, 9-(3,6,9,12-tetraoxatridec-1-yloxy)-"	45028403	"NSC742553; NSC-742553; Pyrido[2',5]pyrimido[1,2-a]indole-5,11-dione, 9-(3,6,9,12-tetraoxatridec-1-yloxy)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742553	.	.	.	.	455.5	C23H25N3O7	109	704	0.7	33	0	9	13	"InChI=1S/C23H25N3O7/c1-29-7-8-30-9-10-31-11-12-32-13-14-33-16-4-5-19-18(15-16)20(27)22-25-21-17(3-2-6-24-21)23(28)26(19)22/h2-6,15H,7-14H2,1H3"	COCCOCCOCCOCCOC1=CC2=C(C=C1)N3C(=NC4=C(C3=O)C=CC=N4)C2=O	WZEKKKDZKOCTGU-UHFFFAOYSA-N
DG66922	BAS100 Monohydrate	45028404	"BAS100 Monohydrate; NSC742554; NSC-742554; 7H-Furo[3, 4-[[(2E)-5-[4'-[[(2E)-6,7-dihydroxy-3,7-dimethyl-2-octenyl]oxy]-5,5-dimethyl-spiro[1,3-dioxolane-2,7'-[7H]furo[3,2-g][1]benzopyran]-4-yl]-3-methyl-2-pentenyl]oxy]-, monohydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742554	.	.	.	.	728.8	C42H48O11	135	1430	7.3	53	2	11	13	"InChI=1S/C42H48O11/c1-25(7-10-35(43)40(3,4)45)14-19-49-39-28-13-18-42(51-34(28)24-32-30(39)17-22-47-32)52-36(41(5,6)53-42)11-8-26(2)15-20-48-38-27-9-12-37(44)50-33(27)23-31-29(38)16-21-46-31/h9,12-16,18,21,23-24,35-36,43,45H,7-8,10-11,17,19-20,22H2,1-6H3/b25-14+,26-15+"	C/C(=C\\COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/CCC4C(OC5(O4)C=CC6=C(O5)C=C7C(=C6OC/C=C(\\C)/CCC(C(C)(C)O)O)CCO7)(C)C	KXJKHOFHTOECCZ-LVSXPEEVSA-N
DG66923	N-(2-aminophenyl)-4-[3-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-1-en-2-yl]benzamide	45028413	NSC742611; NSC-742611	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742611	.	.	.	.	481.5	C26H26F3N5O	74.5	716	4.7	35	2	8	6	"InChI=1S/C26H26F3N5O/c1-18(19-9-11-20(12-10-19)25(35)31-22-6-3-2-5-21(22)30)17-33-13-15-34(16-14-33)24-8-4-7-23(32-24)26(27,28)29/h2-12H,1,13-17,30H2,(H,31,35)"	C=C(CN1CCN(CC1)C2=CC=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N	NWGZGNSMOKNZNW-UHFFFAOYSA-N
DG66924	N-1H-indazol-3-yl-3-methyl-4-nitro-1H-pyrazole-5-carboxamide	45028419	NSC742792; NSC-742792; N-1H-indazol-3-yl-3-methyl-4-nitro-1H-pyrazole-5-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742792	.	.	.	.	286.25	C12H10N6O3	132	428	1.6	21	3	5	2	"InChI=1S/C12H10N6O3/c1-6-10(18(20)21)9(16-14-6)12(19)13-11-7-4-2-3-5-8(7)15-17-11/h2-5H,1H3,(H,14,16)(H2,13,15,17,19)"	CC1=C(C(=NN1)C(=O)NC2=NNC3=CC=CC=C32)[N+](=O)[O-]	BJCZEMFQBDJFTB-UHFFFAOYSA-N
DG66925	1-[(3-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]-1H-indazol-3-amine	45028420	NSC742793; NSC-742793; 1-[(3-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]-1H-indazol-3-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742793	.	.	.	.	286.25	C12H10N6O3	135	441	1.6	21	2	6	1	"InChI=1S/C12H10N6O3/c1-6-10(18(20)21)9(15-14-6)12(19)17-8-5-3-2-4-7(8)11(13)16-17/h2-5H,1H3,(H2,13,16)(H,14,15)"	CC1=C(C(=NN1)C(=O)N2C3=CC=CC=C3C(=N2)N)[N+](=O)[O-]	HRTJHCCLKGWICX-UHFFFAOYSA-N
DG66926	3-amino-N-(4-phenoxyphenyl)-5-phenyl-1H-pyrazole-1-carboxamide	45028421	NSC742804; NSC-742804; 3-amino-N-(4-phenoxyphenyl)-5-phenyl-1H-pyrazole-1-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742804	.	.	.	.	370.4	C22H18N4O2	82.2	497	4.3	28	2	4	4	"InChI=1S/C22H18N4O2/c23-21-15-20(16-7-3-1-4-8-16)26(25-21)22(27)24-17-11-13-19(14-12-17)28-18-9-5-2-6-10-18/h1-15H,(H2,23,25)(H,24,27)"	C1=CC=C(C=C1)C2=CC(=NN2C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)N	GFGOPRXUYPJTON-UHFFFAOYSA-N
DG66927	SMA-838 (HCl salt of NSC 188491)	45028430	"164932-83-6; DTXSID10661641; NSC742838; NSC-742838; SMA-838 (HCl salt of NSC 188491); 7H-Pyrrolo[2, 4-amino-6-hydrazino-7-.beta.-D-ribofuranosyl-, hydrochloride; 4-Amino-6-hydrazinyl-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742838	.	.	.	.	375.77	C12H18ClN7O5	208	485	.	25	8	10	4	"InChI=1S/C12H17N7O5.ClH/c13-8-4-5(9(14)23)11(18-15)19(10(4)17-2-16-8)12-7(22)6(21)3(1-20)24-12;/h2-3,6-7,12,18,20-22H,1,15H2,(H2,14,23)(H2,13,16,17);1H"	C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)NN)C(=O)N)N.Cl	OLMWEAMAABKBBC-UHFFFAOYSA-N
DG66928	NSC742849	45028435	"N-[(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]-2,2-dimethyl-6-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide; NSC742849; NSC-742849"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742849	.	.	.	.	745.9	C39H63N5O9	142	1170	6.1	53	2	12	19	"InChI=1S/C39H63N5O9/c1-6-7-8-9-10-11-12-13-14-17-24-47-31-27(48-37-34(31)51-39(4,5)53-37)25-41-35(46)32-30(33-36(49-32)52-38(2,3)50-33)42-29(45)26-43-20-22-44(23-21-43)28-18-15-16-19-40-28/h15-16,18-19,27,30-34,36-37H,6-14,17,20-26H2,1-5H3,(H,41,46)(H,42,45)"	CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)CNC(=O)C3C(C4C(O3)OC(O4)(C)C)NC(=O)CN5CCN(CC5)C6=CC=CC=N6	OBDZXACOQQCYKY-UHFFFAOYSA-N
DG66929	NSC742851	45028437	"[2-[[6-(1,2-dihydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] N-phenylcarbamate; NSC742851; NSC-742851"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742851	.	.	.	.	709.9	C37H59NO12	153	1020	5.9	50	3	12	21	"InChI=1S/C37H59NO12/c1-6-7-8-9-10-11-12-13-14-18-21-42-29-28(46-34-31(29)48-37(4,5)50-34)26(44-35(41)38-24-19-16-15-17-20-24)23-43-33-32-30(47-36(2,3)49-32)27(45-33)25(40)22-39/h15-17,19-20,25-34,39-40H,6-14,18,21-23H2,1-5H3,(H,38,41)"	CCCCCCCCCCCCOC1C2C(OC1C(COC3C4C(C(O3)C(CO)O)OC(O4)(C)C)OC(=O)NC5=CC=CC=C5)OC(O2)(C)C	PEGIQNOKUZXIKK-UHFFFAOYSA-N
DG66930	NSC742853	45028439	"1-[5-[[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylamino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-[4-(trifluoromethyl)phenyl]urea; NSC742853; NSC-742853"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742853	.	.	.	.	715.8	C36H56F3N3O8	118	1060	7.7	50	3	12	18	"InChI=1S/C36H56F3N3O8/c1-6-7-8-9-10-11-12-13-14-15-20-44-28-26(46-32-30(28)48-35(4,5)50-32)22-40-21-25-27(29-31(45-25)49-34(2,3)47-29)42-33(43)41-24-18-16-23(17-19-24)36(37,38)39/h16-19,25-32,40H,6-15,20-22H2,1-5H3,(H2,41,42,43)"	CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)CNCC3C(C4C(O3)OC(O4)(C)C)NC(=O)NC5=CC=C(C=C5)C(F)(F)F	KRBLUZMCIMROMM-UHFFFAOYSA-N
DG66931	NSC742855	45028441	"1-(Benzenesulfonyl)-3-[2-[[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl]urea; NSC742855; NSC-742855"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742855	.	.	.	.	813	C40H64N2O13S	176	1370	6.5	56	2	13	20	"InChI=1S/C40H64N2O13S/c1-8-9-10-11-12-13-14-15-16-20-23-46-31-29(49-36-33(31)53-40(6,7)55-36)27(41-37(43)42-56(44,45)26-21-18-17-19-22-26)24-47-35-34-32(52-39(4,5)54-34)30(50-35)28-25-48-38(2,3)51-28/h17-19,21-22,27-36H,8-16,20,23-25H2,1-7H3,(H2,41,42,43)"	CCCCCCCCCCCCOC1C2C(OC1C(COC3C4C(C(O3)C5COC(O5)(C)C)OC(O4)(C)C)NC(=O)NS(=O)(=O)C6=CC=CC=C6)OC(O2)(C)C	KUYKQUHOYFQUND-UHFFFAOYSA-N
DG66932	NSC742856	45028442	"4-[[2-[[6-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl]carbamoylamino]benzoic acid; NSC742856; NSC-742856"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742856	.	.	.	.	793	C41H64N2O13	171	1280	6.4	56	3	13	20	"InChI=1S/C41H64N2O13/c1-8-9-10-11-12-13-14-15-16-17-22-47-31-29(50-37-33(31)54-41(6,7)56-37)27(43-38(46)42-26-20-18-25(19-21-26)35(44)45)23-48-36-34-32(53-40(4,5)55-34)30(51-36)28-24-49-39(2,3)52-28/h18-21,27-34,36-37H,8-17,22-24H2,1-7H3,(H,44,45)(H2,42,43,46)"	CCCCCCCCCCCCOC1C2C(OC1C(COC3C4C(C(O3)C5COC(O5)(C)C)OC(O4)(C)C)NC(=O)NC6=CC=C(C=C6)C(=O)O)OC(O2)(C)C	WSZRDNSEZXHMGT-UHFFFAOYSA-N
DG66933	NSC742857	45028443	"1-[1-(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-[[6-(1-hydroxy-2-piperidin-1-ylethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]ethyl]-3-phenylurea; NSC742857; NSC-742857"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742857	.	.	.	.	776	C42H69N3O10	138	1150	6.9	55	3	11	21	"InChI=1S/C42H69N3O10/c1-6-7-8-9-10-11-12-13-14-21-26-48-34-32(50-39-36(34)53-42(4,5)55-39)30(44-40(47)43-29-22-17-15-18-23-29)28-49-38-37-35(52-41(2,3)54-37)33(51-38)31(46)27-45-24-19-16-20-25-45/h15,17-18,22-23,30-39,46H,6-14,16,19-21,24-28H2,1-5H3,(H2,43,44,47)"	CCCCCCCCCCCCOC1C2C(OC1C(COC3C4C(C(O3)C(CN5CCCCC5)O)OC(O4)(C)C)NC(=O)NC6=CC=CC=C6)OC(O2)(C)C	AKTGPUOZBYDHQZ-UHFFFAOYSA-N
DG66934	NSC742860	45028446	"N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-oxopropyl]-3,5-dichlorobenzenesulfonamide; NSC742860; NSC-742860"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742860	.	.	.	.	826.9	C40H57Cl2N3O9S	134	1290	8.4	55	1	11	20	"InChI=1S/C40H57Cl2N3O9S/c1-4-5-6-7-8-9-10-11-12-13-20-49-37-36(52-39-38(37)53-40(2,3)54-39)32(43-55(47,48)31-23-29(41)22-30(42)24-31)25-35(46)45-18-16-44(17-19-45)26-28-14-15-33-34(21-28)51-27-50-33/h14-15,21-24,32,36-39,43H,4-13,16-20,25-27H2,1-3H3"	CCCCCCCCCCCCOC1C2C(OC1C(CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)NS(=O)(=O)C6=CC(=CC(=C6)Cl)Cl)OC(O2)(C)C	WJMKNBWTBXKSRL-UHFFFAOYSA-N
DG66935	"4-amino-N-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-propyl-2-sulfanylidene-1,3-thiazole-5-carboxamide"	45028462	NSC742906; NSC-742906	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742906	.	.	.	.	404.5	C18H20N4O3S2	151	667	4.1	27	2	7	6	"InChI=1S/C18H20N4O3S2/c1-4-8-22-16(19)15(27-18(22)26)17(23)21-20-10(2)13-9-11-6-5-7-12(24-3)14(11)25-13/h5-7,9H,4,8,19H2,1-3H3,(H,21,23)/b20-10-"	CCCN1C(=C(SC1=S)C(=O)N/N=C(/C)\\C2=CC3=C(O2)C(=CC=C3)OC)N	WLBLORPICZSZOI-JMIUGGIZSA-N
DG66936	2-Amino-5-(1-benzofuran-2-yl)furan-3-carbonitrile	45028480	NSC742925; NSC-742925	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742925	.	.	.	.	224.21	C13H8N2O2	76.1	338	3	17	1	4	1	"InChI=1S/C13H8N2O2/c14-7-9-6-12(17-13(9)15)11-5-8-3-1-2-4-10(8)16-11/h1-6H,15H2"	C1=CC=C2C(=C1)C=C(O2)C3=CC(=C(O3)N)C#N	KBZFHHZINUPWSR-UHFFFAOYSA-N
DG66937	"3-(4-Fluorophenyl)-2,2-c]chromen-5-yl acetate"	45028495	"NSC742946; NSC-742946; 3-(4-fluorophenyl)-2,2-c]chromen-5-yl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742946	.	.	.	.	352.3	C20H13FO5	61.8	659	3.3	26	0	6	3	"InChI=1S/C20H13FO5/c1-11(22)24-20-16-10-15(12-6-8-13(21)9-7-12)19(23)26-18(16)14-4-2-3-5-17(14)25-20/h2-10,20H,1H3"	CC(=O)OC1C2=C(C3=CC=CC=C3O1)OC(=O)C(=C2)C4=CC=C(C=C4)F	OIJQFUGPUDZCRR-UHFFFAOYSA-N
DG66938	"5-hydroxy-3-(7-methoxy-2-oxo-2H-chromen-3-yl)pyrano[3,2-c]chromen-2(5H)-one"	45028496	"NSC742947; NSC-742947; 5-hydroxy-3-(7-methoxy-2-oxo-2h-chromen-3-yl)-2h,5h-pyrano[3,2-c]chromen-2-one; 5-hydroxy-3-(7-methoxy-2-oxo-2H-chromen-3-yl)pyrano[3,2-c]chromen-2(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742947	.	.	.	.	390.3	C22H14O7	91.3	823	2.6	29	1	7	2	"InChI=1S/C22H14O7/c1-26-12-7-6-11-8-14(20(23)28-18(11)9-12)15-10-16-19(29-21(15)24)13-4-2-3-5-17(13)27-22(16)25/h2-10,22,25H,1H3"	COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC4=C(C5=CC=CC=C5OC4O)OC3=O	WWMQSQPDVDHQTL-UHFFFAOYSA-N
DG66939	"3-(7-(dimethylamino)-2-oxo-2H-chromen-3-yl)-2,2-c]chromen-5-yl acetate"	45028498	"NSC742949; NSC-742949; 3-(7-(dimethylamino)-2-oxo-2H-chromen-3-yl)-2,2-c]chromen-5-yl acetate; 3-[7-(N,N-dimethylamino)-2-oxo-2h-chromen-3-yl]-2-oxo-2h,5h-pyrano[3,2-c]chromen-5-yl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742949	.	.	.	.	445.4	C25H19NO7	91.4	962	3.3	33	0	8	4	"InChI=1S/C25H19NO7/c1-13(27)30-25-19-12-18(24(29)33-22(19)16-6-4-5-7-20(16)32-25)17-10-14-8-9-15(26(2)3)11-21(14)31-23(17)28/h4-12,25H,1-3H3"	CC(=O)OC1C2=C(C3=CC=CC=C3O1)OC(=O)C(=C2)C4=CC5=C(C=C(C=C5)N(C)C)OC4=O	JHQXIEOZOOBWEV-UHFFFAOYSA-N
DG66940	"3-(7-(dimethylamino)-2-oxo-2H-chromen-3-yl)-5-hydroxypyrano[3,2-c]chromen-2(5H)-one"	45028499	"NSC742950; NSC-742950; 3-(7-(dimethylamino)-2-oxo-2H-chromen-3-yl)-5-hydroxypyrano[3,2-c]chromen-2(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742950	.	.	.	.	403.4	C23H17NO6	85.3	856	2.7	30	1	7	2	"InChI=1S/C23H17NO6/c1-24(2)13-8-7-12-9-15(21(25)29-19(12)10-13)16-11-17-20(30-22(16)26)14-5-3-4-6-18(14)28-23(17)27/h3-11,23,27H,1-2H3"	CN(C)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC4=C(C5=CC=CC=C5OC4O)OC3=O	RDRHOWMSUBIJDP-UHFFFAOYSA-N
DG66941	"2alpha,3-Diphenyl-5beta-(ethylthiomethyl)tetrahydrofuran-3alpha-ol"	45028501	"NSC743045; NSC-743045; 2alpha,3-Diphenyl-5beta-(ethylthiomethyl)tetrahydrofuran-3alpha-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743045	.	.	.	.	314.4	C19H22O2S	54.8	336	3.5	22	1	3	5	"InChI=1S/C19H22O2S/c1-2-22-14-17-13-19(20,16-11-7-4-8-12-16)18(21-17)15-9-5-3-6-10-15/h3-12,17-18,20H,2,13-14H2,1H3/t17-,18+,19-/m0/s1"	CCSC[C@@H]1C[C@@]([C@H](O1)C2=CC=CC=C2)(C3=CC=CC=C3)O	RUUWBZKPWQALDA-OTWHNJEPSA-N
DG66942	4-Iodo-2-methyl-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol;hydrochloride	45028511	NSC743061; NSC-743061	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743061	.	.	.	.	410.72	C15H24ClIN2O	26.7	271	.	20	2	3	5	"InChI=1S/C15H23IN2O.ClH/c1-12-9-14(16)10-13(15(12)19)11-17(2)7-8-18-5-3-4-6-18;/h9-10,19H,3-8,11H2,1-2H3;1H"	CC1=CC(=CC(=C1O)CN(C)CCN2CCCC2)I.Cl	YDDBONWDAWRHQL-UHFFFAOYSA-N
DG66943	4-Iodo-2-methyl-6-[[methyl(3-piperidin-1-ylpropyl)amino]methyl]phenol;hydrochloride	45028514	NSC743063; NSC-743063	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743063	.	.	.	.	438.8	C17H28ClIN2O	26.7	297	.	22	2	3	6	"InChI=1S/C17H27IN2O.ClH/c1-14-11-16(18)12-15(17(14)21)13-19(2)7-6-10-20-8-4-3-5-9-20;/h11-12,21H,3-10,13H2,1-2H3;1H"	CC1=CC(=CC(=C1O)CN(C)CCCN2CCCCC2)I.Cl	QXINGRVGTRKYBN-UHFFFAOYSA-N
DG66944	2-[[3-(Dimethylamino)propyl-propan-2-ylamino]methyl]-4-iodo-6-methylphenol;hydrochloride	45028517	NSC743065; NSC-743065	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743065	.	.	.	.	426.8	C16H28ClIN2O	26.7	273	.	21	2	3	7	"InChI=1S/C16H27IN2O.ClH/c1-12(2)19(8-6-7-18(4)5)11-14-10-15(17)9-13(3)16(14)20;/h9-10,12,20H,6-8,11H2,1-5H3;1H"	CC1=CC(=CC(=C1O)CN(CCCN(C)C)C(C)C)I.Cl	NZQSJTZEQQLWQO-UHFFFAOYSA-N
DG66945	2-[[2-(Dimethylamino)ethyl-methylamino]methyl]-4-iodo-6-methylphenol;hydrochloride	45028519	NSC743066; NSC-743066	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743066	.	.	.	.	384.68	C13H22ClIN2O	26.7	226	.	18	2	3	5	"InChI=1S/C13H21IN2O.ClH/c1-10-7-12(14)8-11(13(10)17)9-16(4)6-5-15(2)3;/h7-8,17H,5-6,9H2,1-4H3;1H"	CC1=CC(=CC(=C1O)CN(C)CCN(C)C)I.Cl	DVPHKZKNWGJMLE-UHFFFAOYSA-N
DG66946	2-[[2-(Dimethylamino)ethylamino]methyl]-4-iodo-6-methylphenol;hydrochloride	45028521	NSC743067; NSC-743067	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743067	.	.	.	.	370.66	C12H20ClIN2O	35.5	202	.	17	3	3	5	"InChI=1S/C12H19IN2O.ClH/c1-9-6-11(13)7-10(12(9)16)8-14-4-5-15(2)3;/h6-7,14,16H,4-5,8H2,1-3H3;1H"	CC1=CC(=CC(=C1O)CNCCN(C)C)I.Cl	YMOBYNAYKZMMAR-UHFFFAOYSA-N
DG66947	2-[[3-(Dimethylamino)propyl-ethylamino]methyl]-4-iodo-6-methylphenol;hydrochloride	45028529	NSC743071; NSC-743071	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743071	.	.	.	.	412.74	C15H26ClIN2O	26.7	250	.	20	2	3	7	"InChI=1S/C15H25IN2O.ClH/c1-5-18(8-6-7-17(3)4)11-13-10-14(16)9-12(2)15(13)19;/h9-10,19H,5-8,11H2,1-4H3;1H"	CCN(CCCN(C)C)CC1=C(C(=CC(=C1)I)C)O.Cl	KYPIUAZTIUBVRW-UHFFFAOYSA-N
DG66948	2-[[3-(Dipropylamino)propylamino]methyl]-4-iodo-6-methylphenol;hydrochloride	45028531	NSC743072; NSC-743072	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743072	.	.	.	.	440.8	C17H30ClIN2O	35.5	259	.	22	3	3	10	"InChI=1S/C17H29IN2O.ClH/c1-4-8-20(9-5-2)10-6-7-19-13-15-12-16(18)11-14(3)17(15)21;/h11-12,19,21H,4-10,13H2,1-3H3;1H"	CCCN(CCC)CCCNCC1=C(C(=CC(=C1)I)C)O.Cl	FYKNDMQDUNRXRO-UHFFFAOYSA-N
DG66949	2-[[3-(Azocan-1-yl)propyl-methylamino]methyl]-4-iodo-6-methylphenol;hydrochloride	45028533	NSC743073; NSC-743073	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743073	.	.	.	.	466.8	C19H32ClIN2O	26.7	321	.	24	2	3	6	"InChI=1S/C19H31IN2O.ClH/c1-16-13-18(20)14-17(19(16)23)15-21(2)9-8-12-22-10-6-4-3-5-7-11-22;/h13-14,23H,3-12,15H2,1-2H3;1H"	CC1=CC(=CC(=C1O)CN(C)CCCN2CCCCCCC2)I.Cl	VNYGCPHOMBIXEB-UHFFFAOYSA-N
DG66950	N-(p-Fluorobenzoyl)-Paclitaxel	45028539	"N-(p-Fluorobenzoyl)-Paclitaxel; NSC743102; NSC-743102; Benzenepropanoic acid, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6-12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (.alpha.R,.beta.S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743102	.	.	.	.	871.9	C47H50FNO14	221	1830	2.7	63	4	15	14	"InChI=1S/C47H50FNO14/c1-24-30(61-43(57)36(52)35(26-13-9-7-10-14-26)49-40(54)27-17-19-29(48)20-18-27)22-47(58)39(62-41(55)28-15-11-8-12-16-28)37-45(5,31(51)21-32-46(37,23-60-32)63-25(2)50)38(53)33(42(56)59-6)34(24)44(47,3)4/h7-20,30-33,35-37,39,51-52,58H,21-23H2,1-6H3,(H,49,54)/t30-,31-,32+,33+,35-,36+,37-,39-,45+,46-,47+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=C(C=C6)F)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)C(=O)OC	SCSPTBVSCIZTKC-LKRQEUHESA-N
DG66951	"(11aS)-7-methoxy-8-3-[4-(4-quinazolinyl)piperazino]propoxy-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5-one"	45028540	"NSC743121; NSC-743121; (11aS)-7-methoxy-8-3-[4-(4-quinazolinyl)piperazino]propoxy-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743121	.	.	.	.	500.6	C28H32N6O3	83.4	805	3	37	0	8	7	"InChI=1S/C28H32N6O3/c1-36-25-16-22-24(29-18-20-6-4-10-34(20)28(22)35)17-26(25)37-15-5-9-32-11-13-33(14-12-32)27-21-7-2-3-8-23(21)30-19-31-27/h2-3,7-8,16-20H,4-6,9-15H2,1H3"	COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCN4CCN(CC4)C5=NC=NC6=CC=CC=C65	ZOMBISVGMSQISI-UHFFFAOYSA-N
DG66952	NSC743122	45028541	"N1-[4-chloro-2-(2-chlorobenzyl)phenyl]-2-[4-(5-[-(11aS)-7-methoxy-5-oxo-2,5,11a,-tetrahydro-1H-benzo[e]pyrrolo[1,2-a] [1,4]diazepin-8-yl]oxybutyl)piperazino]acetamide; NSC743122; NSC-743122; N1-[4-chloro-2-(2-chlorobenzyl)phenyl]-2-[4-(5-[-(11aS)-7-methoxy-5-oxo-2,5,11a,-tetrahydro-1H-benzo[e]pyrrolo[1,2-a] [1,4]diazepin-8-yl]oxybutyl)piperazino]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743122	.	.	.	.	692.6	C36H39Cl2N5O5	104	1140	5.7	48	1	8	12	"InChI=1S/C36H39Cl2N5O5/c1-47-32-20-28-31(39-22-25-7-6-13-43(25)36(28)46)21-33(32)48-18-5-4-12-41-14-16-42(17-15-41)23-34(44)40-30-11-10-24(37)19-27(30)35(45)26-8-2-3-9-29(26)38/h2-3,8-11,19-22,25H,4-7,12-18,23H2,1H3,(H,40,44)"	COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCN4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)Cl)C(=O)C6=CC=CC=C6Cl	ZLTJRBWBVYPAME-UHFFFAOYSA-N
DG66953	NSC743134	45028547	"N1-[4-chloro-2-(2-cholrobenzoyl)phenyl]-2-[4-(6-[(11aS)-7-methoxy-5-oxo-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxyhexyl)piperazino]acetamide; NSC743134; NSC-743134; N1-[4-chloro-2-(2-cholrobenzoyl)phenyl]-2-[4-(6-[(11aS)-7-methoxy-5-oxo-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxyhexyl)piperazino]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743134	.	.	.	.	720.7	C38H43Cl2N5O5	104	1170	6.4	50	1	8	14	"InChI=1S/C38H43Cl2N5O5/c1-49-34-22-30-33(41-24-27-9-8-15-45(27)38(30)48)23-35(34)50-20-7-3-2-6-14-43-16-18-44(19-17-43)25-36(46)42-32-13-12-26(39)21-29(32)37(47)28-10-4-5-11-31(28)40/h4-5,10-13,21-24,27H,2-3,6-9,14-20,25H2,1H3,(H,42,46)"	COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCCN4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)Cl)C(=O)C6=CC=CC=C6Cl	OVOQKQFNIMCAPH-UHFFFAOYSA-N
DG66954	"(11aS)-7-methoxy-8-(5-[4-(4-quinazolinyl)piperazino]pentyloxy)-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one"	45028548	"NSC743135; NSC-743135; (11aS)-7-methoxy-8-(5-[4-(4-quinazolinyl)piperazino]pentyloxy)-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743135	.	.	.	.	528.6	C30H36N6O3	83.4	836	3.7	39	0	8	9	"InChI=1S/C30H36N6O3/c1-38-27-18-24-26(31-20-22-8-7-12-36(22)30(24)37)19-28(27)39-17-6-2-5-11-34-13-15-35(16-14-34)29-23-9-3-4-10-25(23)32-21-33-29/h3-4,9-10,18-22H,2,5-8,11-17H2,1H3"	COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCN4CCN(CC4)C5=NC=NC6=CC=CC=C65	QDKRGBUDNUCBGJ-UHFFFAOYSA-N
DG66955	5-fluoro-3-[(5-fluoro-1H-indol-3-yl)disulfanyl]-1H-indole	45028549	NSC743186; NSC-743186	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743186	.	.	.	.	332.4	C16H10F2N2S2	82.2	364	4.5	22	2	4	3	"InChI=1S/C16H10F2N2S2/c17-9-1-3-13-11(5-9)15(7-19-13)21-22-16-8-20-14-4-2-10(18)6-12(14)16/h1-8,19-20H"	C1=CC2=C(C=C1F)C(=CN2)SSC3=CNC4=C3C=C(C=C4)F	BOINTPIZZVBYIN-UHFFFAOYSA-N
DG66956	"11-Ethyl-4,5,12-trimethyl-6-thia-1,8,11-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one"	45028557	NSC743244; NSC-743244	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743244	.	.	.	.	275.37	C14H17N3OS	64.2	473	2.5	19	0	4	1	"InChI=1S/C14H17N3OS/c1-5-16-7-11-15-13-12(9(3)10(4)19-13)14(18)17(11)6-8(16)2/h6H,5,7H2,1-4H3"	CCN1CC2=NC3=C(C(=C(S3)C)C)C(=O)N2C=C1C	KSNNLSHENDESFZ-UHFFFAOYSA-N
DG66957	NSC743247	45028560	"Propan-2-yl 4-[[3-[(4-chloro-2-methylphenyl)carbamoyl]-7,8-dimethoxy-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carbonyl]amino]benzoate; NSC743247; NSC-743247"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743247	.	.	.	.	635.1	C31H27ClN4O7S	161	1200	5.3	44	2	9	9	"InChI=1S/C31H27ClN4O7S/c1-15(2)43-30(40)17-6-9-19(10-7-17)33-28(38)26-25(27(37)34-21-11-8-18(32)12-16(21)3)36-29(39)20-13-23(41-4)24(42-5)14-22(20)35-31(36)44-26/h6-15H,1-5H3,(H,33,38)(H,34,37)"	CC1=C(C=CC(=C1)Cl)NC(=O)C2=C(SC3=NC4=CC(=C(C=C4C(=O)N23)OC)OC)C(=O)NC5=CC=C(C=C5)C(=O)OC(C)C	WCLJJWRVZNSGHY-UHFFFAOYSA-N
DG66958	NSC743396	45028585	"7-benzyl-3-[(E)-3-oxo-3-phenylprop-1-enyl]-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one; NSC743396; NSC-743396"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743396	.	.	.	.	466.6	C27H22N4O2S	96.3	794	5.1	34	0	5	5	"InChI=1S/C27H22N4O2S/c32-21(19-11-5-2-6-12-19)15-16-23-28-29-27-30(17-18-9-3-1-4-10-18)25(33)24-20-13-7-8-14-22(20)34-26(24)31(23)27/h1-6,9-12,15-16H,7-8,13-14,17H2/b16-15+"	C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4N(C3=O)CC5=CC=CC=C5)/C=C/C(=O)C6=CC=CC=C6	PERWQESDYTYKHP-FOCLMDBBSA-N
DG66959	"3-benzyl-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one"	45028588	NSC743399; NSC-743399	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743399	.	.	.	.	493.4	C24H21BrN4OS	85.3	702	5.8	31	1	4	5	"InChI=1S/C24H21BrN4OS/c25-18-12-10-16(11-13-18)14-26-28-24-27-22-21(19-8-4-5-9-20(19)31-22)23(30)29(24)15-17-6-2-1-3-7-17/h1-3,6-7,10-14H,4-5,8-9,15H2,(H,27,28)/b26-14+"	C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=CC=C4)N/N=C/C5=CC=C(C=C5)Br	IAMNNMKIKGYANO-VULFUBBASA-N
DG66960	"8-(4-{4-[6-(4-piperazinoquinazoline)-7-methoxy-2,5,11-atetrahydra-1H-benzo[e]pyrrolo[1,2-c][1,4]diazepin-5-one"	45028589	"NSC743433; NSC-743433; 8-(4-{4-[6-(4-piperazinoquinazoline)-7-methoxy-2,5,11-atetrahydra-1H-benzo[e]pyrrolo[1,2-c][1,4]diazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743433	.	.	.	.	542.7	C31H38N6O3	83.4	851	4.1	40	0	8	10	"InChI=1S/C31H38N6O3/c1-39-28-19-25-27(32-21-23-9-8-13-37(23)31(25)38)20-29(28)40-18-7-3-2-6-12-35-14-16-36(17-15-35)30-24-10-4-5-11-26(24)33-22-34-30/h4-5,10-11,19-23H,2-3,6-9,12-18H2,1H3"	COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCCN4CCN(CC4)C5=NC=NC6=CC=CC=C65	BOCPXUYVMAKHTQ-UHFFFAOYSA-N
DG66961	NSC743434	45028590	"8-(4-{5-[3-(4-fluoro phenyl)-3-oxo-1-prophenyl]-2-methoxy phenoxy}pentoxy)-7-methoxy-2,5,11-a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a],[1,4]diazepin-5-one; NSC743434; NSC-743434; 8-(4-{5-[3-(4-fluoro phenyl)-3-oxo-1-prophenyl]-2-methoxy phenoxy}pentoxy)-7-methoxy-2,5,11-a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a],[1,4]diazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743434	.	.	.	.	586.6	C34H35FN2O6	86.7	969	5.7	43	0	8	13	"InChI=1S/C34H35FN2O6/c1-40-31-19-23(8-14-29(38)24-10-12-25(35)13-11-24)9-15-30(31)42-17-4-3-5-18-43-33-21-28-27(20-32(33)41-2)34(39)37-16-6-7-26(37)22-36-28/h8-15,19-22,26H,3-7,16-18H2,1-2H3/b14-8+"	COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)F)OCCCCCOC3=C(C=C4C(=C3)N=CC5CCCN5C4=O)OC	ARZGLWFRVNUVDX-RIYZIHGNSA-N
DG66962	"7-Benzyl-3-(4-bromophenyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one"	45028599	NSC743479; NSC-743479	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743479	.	.	.	.	491.4	C24H19BrN4OS	79.3	668	5.6	31	0	4	3	"InChI=1S/C24H19BrN4OS/c25-17-12-10-16(11-13-17)21-26-27-24-28(14-15-6-2-1-3-7-15)22(30)20-18-8-4-5-9-19(18)31-23(20)29(21)24/h1-3,6-7,10-13H,4-5,8-9,14H2"	C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4N(C3=O)CC5=CC=CC=C5)C6=CC=C(C=C6)Br	SLJIYVZAJGVWTF-UHFFFAOYSA-N
DG66963	"2-[4-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	45028623	NSC743504; NSC-743504	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743504	.	.	.	.	378.4	C20H14N2O4S	106	589	3.8	27	1	6	5	"InChI=1S/C20H14N2O4S/c23-18(22-20-21-9-10-27-20)12-25-14-7-5-13(6-8-14)11-17-19(24)15-3-1-2-4-16(15)26-17/h1-11H,12H2,(H,21,22,23)/b17-11-"	C1=CC=C2C(=C1)C(=O)/C(=C/C3=CC=C(C=C3)OCC(=O)NC4=NC=CS4)/O2	HVKINGHGICBSIM-BOPFTXTBSA-N
DG66964	N-(benzo[d]thiazol-2-yl)-2-(4-((3-oxobenzofuran-2(3H)-ylidene)methyl)phenoxy)acetamide	45028625	NSC743506; NSC-743506; N-(benzo[d]thiazol-2-yl)-2-(4-((3-oxobenzofuran-2(3H)-ylidene)methyl)phenoxy)acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743506	.	.	.	.	428.5	C24H16N2O4S	106	706	5.3	31	1	6	5	"InChI=1S/C24H16N2O4S/c27-22(26-24-25-18-6-2-4-8-21(18)31-24)14-29-16-11-9-15(10-12-16)13-20-23(28)17-5-1-3-7-19(17)30-20/h1-13H,14H2,(H,25,26,27)/b20-13-"	C1=CC=C2C(=C1)C(=O)/C(=C/C3=CC=C(C=C3)OCC(=O)NC4=NC5=CC=CC=C5S4)/O2	LXNRSDAASSXVSM-MOSHPQCFSA-N
DG66965	"2-[4-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide"	45028626	NSC743507; NSC-743507	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743507	.	.	.	.	432.5	C24H20N2O4S	106	706	4.9	31	1	6	5	"InChI=1S/C24H20N2O4S/c27-22(26-24-25-18-6-2-4-8-21(18)31-24)14-29-16-11-9-15(10-12-16)13-20-23(28)17-5-1-3-7-19(17)30-20/h1,3,5,7,9-13H,2,4,6,8,14H2,(H,25,26,27)/b20-13-"	C1CCC2=C(C1)N=C(S2)NC(=O)COC3=CC=C(C=C3)/C=C\\4/C(=O)C5=CC=CC=C5O4	YZIISIIPDQNDLO-MOSHPQCFSA-N
DG66966	"2-[3-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	45028627	NSC743508; NSC-743508	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743508	.	.	.	.	378.4	C20H14N2O4S	106	597	3.8	27	1	6	5	"InChI=1S/C20H14N2O4S/c23-18(22-20-21-8-9-27-20)12-25-14-5-3-4-13(10-14)11-17-19(24)15-6-1-2-7-16(15)26-17/h1-11H,12H2,(H,21,22,23)/b17-11+"	C1=CC=C2C(=C1)C(=O)/C(=C\\C3=CC(=CC=C3)OCC(=O)NC4=NC=CS4)/O2	YLWWJQSJZVTASR-GZTJUZNOSA-N
DG66967	"(E)-1-[3-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(3-methoxyphenyl)prop-2-en-1-one"	45028634	NSC743528; NSC-743528	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743528	.	.	.	.	514.6	C31H26N6O2	101	740	7.3	39	3	8	10	"InChI=1S/C31H26N6O2/c1-39-27-17-8-10-22(20-27)18-19-28(38)23-11-9-16-26(21-23)34-31-36-29(32-24-12-4-2-5-13-24)35-30(37-31)33-25-14-6-3-7-15-25/h2-21H,1H3,(H3,32,33,34,35,36,37)/b19-18+"	COC1=CC=CC(=C1)/C=C/C(=O)C2=CC(=CC=C2)NC3=NC(=NC(=N3)NC4=CC=CC=C4)NC5=CC=CC=C5	GANVVABKWTZOKK-VHEBQXMUSA-N
DG66968	"(E)-1-[3-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(4-nitrophenyl)prop-2-en-1-one"	45028635	NSC743529; NSC-743529	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743529	.	.	.	.	529.5	C30H23N7O3	138	804	7.2	40	3	9	9	"InChI=1S/C30H23N7O3/c38-27(19-16-21-14-17-26(18-15-21)37(39)40)22-8-7-13-25(20-22)33-30-35-28(31-23-9-3-1-4-10-23)34-29(36-30)32-24-11-5-2-6-12-24/h1-20H,(H3,31,32,33,34,35,36)/b19-16+"	C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C5	IYLIVTCUZWVWAS-KNTRCKAVSA-N
DG66969	"(E)-1-[3-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	45028636	NSC743530; NSC-743530	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743530	.	.	.	.	574.6	C33H30N6O4	120	824	7.3	43	3	10	12	"InChI=1S/C33H30N6O4/c1-41-28-19-22(20-29(42-2)30(28)43-3)17-18-27(40)23-11-10-16-26(21-23)36-33-38-31(34-24-12-6-4-7-13-24)37-32(39-33)35-25-14-8-5-9-15-25/h4-21H,1-3H3,(H3,34,35,36,37,38,39)/b18-17+"	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=CC(=CC=C2)NC3=NC(=NC(=N3)NC4=CC=CC=C4)NC5=CC=CC=C5	DEQCTNXIALLGKH-ISLYRVAYSA-N
DG66970	"(E)-1-[3-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one"	45028638	NSC743532; NSC-743532	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743532	.	.	.	.	474.5	C28H22N6O2	105	680	6.5	36	3	8	9	"InChI=1S/C28H22N6O2/c35-25(17-16-24-15-8-18-36-24)20-9-7-14-23(19-20)31-28-33-26(29-21-10-3-1-4-11-21)32-27(34-28)30-22-12-5-2-6-13-22/h1-19H,(H3,29,30,31,32,33,34)/b17-16+"	C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)/C=C/C4=CC=CO4)NC5=CC=CC=C5	XSPWDVOYSALMLJ-WUKNDPDISA-N
DG66971	"(E)-1-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-[4-(diethylamino)phenyl]prop-2-en-1-one"	45028639	NSC743533; NSC-743533	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743533	.	.	.	.	555.7	C34H33N7O	95.1	779	8.2	42	3	8	12	"InChI=1S/C34H33N7O/c1-3-41(4-2)30-22-15-25(16-23-30)17-24-31(42)26-18-20-29(21-19-26)37-34-39-32(35-27-11-7-5-8-12-27)38-33(40-34)36-28-13-9-6-10-14-28/h5-24H,3-4H2,1-2H3,(H3,35,36,37,38,39,40)/b24-17+"	CCN(CC)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=CC=C4)NC5=CC=CC=C5	BSDWIIDHZIPBNX-JJIBRWJFSA-N
DG66972	"(2E,4E)-1-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]phenyl]-5-phenylpenta-2,4-dien-1-one"	45028640	NSC743534; NSC-743534	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743534	.	.	.	.	510.6	C32H26N6O	91.8	748	8	39	3	7	10	"InChI=1S/C32H26N6O/c39-29(19-11-10-14-24-12-4-1-5-13-24)25-20-22-28(23-21-25)35-32-37-30(33-26-15-6-2-7-16-26)36-31(38-32)34-27-17-8-3-9-18-27/h1-23H,(H3,33,34,35,36,37,38)/b14-10+,19-11+"	C1=CC=C(C=C1)/C=C/C=C/C(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=CC=C4)NC5=CC=CC=C5	DZMARDRFARGXJK-KMKPNOTNSA-N
DG66973	"2',6-Diyl)diimino]-3',3''-dipropyl-1,3-dithiazolidin-4-one"	45028644	"NSC743549; NSC-743549; 2',6-diyl)diimino]- 3',3'' - dipropyl - 1,3 - dithiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743549	.	.	.	.	528.1	C25H26ClN5O2S2	129	783	.	35	1	7	6	"InChI=1S/C25H25N5O2S2.ClH/c1-3-9-29-22(31)14-33-24(29)26-18-7-5-16-11-17-6-8-19(13-21(17)28-20(16)12-18)27-25-30(10-4-2)23(32)15-34-25;/h5-8,11-13H,3-4,9-10,14-15H2,1-2H3;1H"	CCCN1C(=O)CSC1=NC2=CC3=C(C=C2)C=C4C=CC(=CC4=N3)N=C5N(C(=O)CS5)CCC.Cl	JOMNMTLQPFIYRF-UHFFFAOYSA-N
DG66974	NSC743556	45028649	"1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-hex-1-ynyl-6-iodopyrimidine-2,4-dione; NSC743556; NSC-743556"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743556	.	.	.	.	604.5	C24H37IN2O6Si	86.3	929	.	34	1	6	8	"InChI=1S/C24H37IN2O6Si/c1-9-10-11-12-13-15-19(25)27(22(29)26-20(15)28)21-18-17(32-24(5,6)33-18)16(31-21)14-30-34(7,8)23(2,3)4/h16-18,21H,9-11,14H2,1-8H3,(H,26,28,29)"	CCCCC#CC1=C(N(C(=O)NC1=O)C2C3C(C(O2)CO[Si](C)(C)C(C)(C)C)OC(O3)(C)C)I	TVHVCMVULQFFSY-UHFFFAOYSA-N
DG66975	1-Methyl-5-(trimethylsilylethynyl)-6-iodouracil	45028650	NSC743557; NSC-743557; 1-Methyl-5-(trimethylsilylethynyl)-6-iodouracil	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743557	.	.	.	.	348.21	C10H13IN2O2Si	49.4	450	.	16	1	2	2	"InChI=1S/C10H13IN2O2Si/c1-13-8(11)7(5-6-16(2,3)4)9(14)12-10(13)15/h1-4H3,(H,12,14,15)"	CN1C(=C(C(=O)NC1=O)C#C[Si](C)(C)C)I	WJUICXGQWVPDEB-UHFFFAOYSA-N
DG66976	NSC743558	45028651	"1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-ethynyl-6-iodopyrimidine-2,4-dione; NSC743558; NSC-743558"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743558	.	.	.	.	548.4	C20H29IN2O6Si	86.3	840	.	30	1	6	6	"InChI=1S/C20H29IN2O6Si/c1-9-11-15(21)23(18(25)22-16(11)24)17-14-13(28-20(5,6)29-14)12(27-17)10-26-30(7,8)19(2,3)4/h1,12-14,17H,10H2,2-8H3,(H,22,24,25)"	CC1(OC2C(OC(C2O1)N3C(=C(C(=O)NC3=O)C#C)I)CO[Si](C)(C)C(C)(C)C)C	RULCQGVFYVAUBK-UHFFFAOYSA-N
DG66977	NSC743559	45028652	"1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-iodo-5-(2-trimethylsilylethynyl)pyrimidine-2,4-dione; NSC743559; NSC-743559"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743559	.	.	.	.	620.6	C23H37IN2O6Si2	86.3	969	.	34	1	6	7	"InChI=1S/C23H37IN2O6Si2/c1-22(2,3)34(9,10)29-13-15-16-17(32-23(4,5)31-16)20(30-15)26-18(24)14(11-12-33(6,7)8)19(27)25-21(26)28/h15-17,20H,13H2,1-10H3,(H,25,27,28)"	CC1(OC2C(OC(C2O1)N3C(=C(C(=O)NC3=O)C#C[Si](C)(C)C)I)CO[Si](C)(C)C(C)(C)C)C	CCLKJPVRLBZGGR-UHFFFAOYSA-N
DG66978	NSC743562	45028654	"3-Benzoyl-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-hex-1-ynyl-6-iodopyrimidine-2,4-dione; NSC743562; NSC-743562"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743562	.	.	.	.	708.7	C31H41IN2O7Si	94.6	1170	.	42	0	7	9	"InChI=1S/C31H41IN2O7Si/c1-9-10-11-15-18-21-25(32)33(29(37)34(27(21)36)26(35)20-16-13-12-14-17-20)28-24-23(40-31(5,6)41-24)22(39-28)19-38-42(7,8)30(2,3)4/h12-14,16-17,22-24,28H,9-11,19H2,1-8H3"	CCCCC#CC1=C(N(C(=O)N(C1=O)C(=O)C2=CC=CC=C2)C3C4C(C(O3)CO[Si](C)(C)C(C)(C)C)OC(O4)(C)C)I	JQISCAKENDJARC-UHFFFAOYSA-N
DG66979	NSC743564	45028656	2-[4-[tert-butyl(dimethyl)silyl]oxy-2-[(methylcarbamoylamino)methyl]-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]-N-methoxy-N-methylacetamide; NSC743564; NSC-743564	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743564	.	.	.	.	641.8	C29H43N9O6Si	174	1030	.	45	4	9	11	"InChI=1S/C29H43N9O6Si/c1-29(2,3)45(7,8)44-23-19(14-21(39)37(5)42-6)20(15-31-27(40)30-4)43-26(23)38-17-34-22-24(32-16-33-25(22)38)36-28(41)35-18-12-10-9-11-13-18/h9-13,16-17,19-20,23,26H,14-15H2,1-8H3,(H2,30,31,40)(H2,32,33,35,36,41)"	CC(C)(C)[Si](C)(C)OC1C(C(OC1N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)NC)CC(=O)N(C)OC	NYPBSVOEXWTKPG-UHFFFAOYSA-N
DG66980	NSC743565	45028657	Ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-[(methylcarbamoylamino)methyl]-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]acetate; NSC743565; NSC-743565	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743565	.	.	.	.	626.8	C29H42N8O6Si	171	993	.	44	4	9	12	"InChI=1S/C29H42N8O6Si/c1-8-41-21(38)14-19-20(15-31-27(39)30-5)42-26(23(19)43-44(6,7)29(2,3)4)37-17-34-22-24(32-16-33-25(22)37)36-28(40)35-18-12-10-9-11-13-18/h9-13,16-17,19-20,23,26H,8,14-15H2,1-7H3,(H2,30,31,39)(H2,32,33,35,36,40)"	CCOC(=O)CC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)NC	YQHLFPUVCMEHJI-UHFFFAOYSA-N
DG66981	"5-[3-[Tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-iodo-1-methylpyrimidine-2,4-dione"	45028660	NSC743568; NSC-743568	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743568	.	.	.	.	420.32	C14H21IN2O3Si	58.6	564	.	21	1	3	4	"InChI=1S/C14H21IN2O3Si/c1-14(2,3)21(5,6)20-9-7-8-10-11(15)17(4)13(19)16-12(10)18/h9H2,1-6H3,(H,16,18,19)"	CC(C)(C)[Si](C)(C)OCC#CC1=C(N(C(=O)NC1=O)C)I	BOGZBXQONMIESW-UHFFFAOYSA-N
DG66982	N1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-furylcarbonyl)piperazino]acetamide	45028671	NSC743640; NSC-743640; N1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2- furylcarbonyl)piperazino]acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743640	.	.	.	.	486.3	C24H21Cl2N3O4	82.9	716	4.6	33	1	5	6	"InChI=1S/C24H21Cl2N3O4/c25-16-7-8-20(18(14-16)23(31)17-4-1-2-5-19(17)26)27-22(30)15-28-9-11-29(12-10-28)24(32)21-6-3-13-33-21/h1-8,13-14H,9-12,15H2,(H,27,30)"	C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl)C(=O)C4=CC=CO4	NVLNOHDEOSDLHX-UHFFFAOYSA-N
DG66983	"(E)-3-(4-3-[4-(2-furylcarbonyl)piperazino]propoxy-3-methoxyphenyl)-1-(2,4-dimethyl-3-quinolyl)-2-propen-1-one"	45028672	"NSC743641; NSC-743641; (E)-3-(4-3-[4-(2-furylcarbonyl)piperazino]propoxy-3-methoxyphenyl)-1-(2,4-dimethyl-3-quinolyl)-2-propen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743641	.	.	.	.	553.6	C33H35N3O5	85.1	890	5.4	41	0	7	10	"InChI=1S/C33H35N3O5/c1-23-26-8-4-5-9-27(26)34-24(2)32(23)28(37)13-11-25-12-14-29(31(22-25)39-3)40-21-7-15-35-16-18-36(19-17-35)33(38)30-10-6-20-41-30/h4-6,8-14,20,22H,7,15-19,21H2,1-3H3/b13-11+"	CC1=C(C(=NC2=CC=CC=C12)C)C(=O)/C=C/C3=CC(=C(C=C3)OCCCN4CCN(CC4)C(=O)C5=CC=CO5)OC	UYYMAVPDWLUQSU-ACCUITESSA-N
DG66984	"N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide"	45028676	NSC743688; NSC-743688	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743688	.	.	.	.	436.5	C23H20N2O5S	115	702	4.6	31	1	7	6	"InChI=1S/C23H20N2O5S/c1-13-14(2)31-23(24-13)25-21(26)12-29-17-6-4-5-15(9-17)10-20-22(27)18-8-7-16(28-3)11-19(18)30-20/h4-11H,12H2,1-3H3,(H,24,25,26)/b20-10-"	CC1=C(SC(=N1)NC(=O)COC2=CC=CC(=C2)/C=C\\3/C(=O)C4=C(O3)C=C(C=C4)OC)C	QLYWGCVOWYAPIA-JMIUGGIZSA-N
DG66985	"N-(1,3-benzothiazol-2-yl)-2-[3-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide"	45028678	NSC743690; NSC-743690	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743690	.	.	.	.	458.5	C25H18N2O5S	115	761	5.2	33	1	7	6	"InChI=1S/C25H18N2O5S/c1-30-16-9-10-18-20(13-16)32-21(24(18)29)12-15-5-4-6-17(11-15)31-14-23(28)27-25-26-19-7-2-3-8-22(19)33-25/h2-13H,14H2,1H3,(H,26,27,28)/b21-12-"	COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=CC=C3)OCC(=O)NC4=NC5=CC=CC=C5S4)/O2	RKGGPBYPVBTFKN-MTJSOVHGSA-N
DG66986	"2-[3-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide"	45028679	NSC743691; NSC-743691	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743691	.	.	.	.	462.5	C25H22N2O5S	115	761	4.9	33	1	7	6	"InChI=1S/C25H22N2O5S/c1-30-16-9-10-18-20(13-16)32-21(24(18)29)12-15-5-4-6-17(11-15)31-14-23(28)27-25-26-19-7-2-3-8-22(19)33-25/h4-6,9-13H,2-3,7-8,14H2,1H3,(H,26,27,28)/b21-12-"	COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=CC=C3)OCC(=O)NC4=NC5=C(S4)CCCC5)/O2	RCFJRIASFJUXDF-MTJSOVHGSA-N
DG66987	(2Z)-2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]-5-methoxy-1-benzofuran-3-one	45028681	NSC743693; NSC-743693	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743693	.	.	.	.	420.8	C24H17ClO5	61.8	646	5.6	30	0	5	6	"InChI=1S/C24H17ClO5/c1-28-19-10-11-22-20(13-19)24(27)23(30-22)12-15-2-8-18(9-3-15)29-14-21(26)16-4-6-17(25)7-5-16/h2-13H,14H2,1H3/b23-12-"	COC1=CC2=C(C=C1)O/C(=C\\C3=CC=C(C=C3)OCC(=O)C4=CC=C(C=C4)Cl)/C2=O	GIIJFNDCQSBZAG-FMCGGJTJSA-N
DG66988	(2Z)-5-methoxy-2-[(3-phenacyloxyphenyl)methylidene]-1-benzofuran-3-one	45028682	NSC743694; NSC-743694	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743694	.	.	.	.	386.4	C24H18O5	61.8	621	5	29	0	5	6	"InChI=1S/C24H18O5/c1-27-18-10-11-22-20(14-18)24(26)23(29-22)13-16-6-5-9-19(12-16)28-15-21(25)17-7-3-2-4-8-17/h2-14H,15H2,1H3/b23-13-"	COC1=CC2=C(C=C1)O/C(=C\\C3=CC(=CC=C3)OCC(=O)C4=CC=CC=C4)/C2=O	HJHVYNBSGNQSLH-QRVIBDJDSA-N
DG66989	"2-[4-[(Z)-(5-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	45028683	NSC743695; NSC-743695	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743695	.	.	.	.	408.4	C21H16N2O5S	115	635	3.8	29	1	7	6	"InChI=1S/C21H16N2O5S/c1-26-15-6-7-17-16(11-15)20(25)18(28-17)10-13-2-4-14(5-3-13)27-12-19(24)23-21-22-8-9-29-21/h2-11H,12H2,1H3,(H,22,23,24)/b18-10-"	COC1=CC2=C(C=C1)O/C(=C\\C3=CC=C(C=C3)OCC(=O)NC4=NC=CS4)/C2=O	KRKKKJWBZCKTLR-ZDLGFXPLSA-N
DG66990	"N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-[(Z)-(5-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide"	45028684	NSC743696; NSC-743696	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743696	.	.	.	.	436.5	C23H20N2O5S	115	702	4.6	31	1	7	6	"InChI=1S/C23H20N2O5S/c1-13-14(2)31-23(24-13)25-21(26)12-29-17-6-4-5-15(9-17)10-20-22(27)18-11-16(28-3)7-8-19(18)30-20/h4-11H,12H2,1-3H3,(H,24,25,26)/b20-10-"	CC1=C(SC(=N1)NC(=O)COC2=CC=CC(=C2)/C=C\\3/C(=O)C4=C(O3)C=CC(=C4)OC)C	ZUGCFVKVDHHOMR-JMIUGGIZSA-N
DG66991	"2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-phenylpyridine-3-carbonitrile"	45028692	NSC743851; NSC-743851	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743851	.	.	.	.	616.5	C33H23Cl2N9	138	888	9	44	4	9	8	"InChI=1S/C33H23Cl2N9/c34-22-8-14-25(15-9-22)39-32-42-31(43-33(44-32)40-26-16-10-23(35)11-17-26)38-24-12-6-21(7-13-24)29-18-27(20-4-2-1-3-5-20)28(19-36)30(37)41-29/h1-18H,(H2,37,41)(H3,38,39,40,42,43,44)"	C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl	MENBUUBOOBDUKW-UHFFFAOYSA-N
DG66992	"2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(3-methoxyphenyl)pyridine-3-carbonitrile"	45028693	NSC743852; NSC-743852	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743852	.	.	.	.	646.5	C34H25Cl2N9O	147	947	9	46	4	10	9	"InChI=1S/C34H25Cl2N9O/c1-46-27-4-2-3-21(17-27)28-18-30(42-31(38)29(28)19-37)20-5-11-24(12-6-20)39-32-43-33(40-25-13-7-22(35)8-14-25)45-34(44-32)41-26-15-9-23(36)10-16-26/h2-18H,1H3,(H2,38,42)(H3,39,40,41,43,44,45)"	COC1=CC=CC(=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl	YSFTXQBUONPIGE-UHFFFAOYSA-N
DG66993	"2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(4-methoxyphenyl)pyridine-3-carbonitrile"	45028694	NSC743853; NSC-743853	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743853	.	.	.	.	646.5	C34H25Cl2N9O	147	939	9	46	4	10	9	"InChI=1S/C34H25Cl2N9O/c1-46-27-16-4-20(5-17-27)28-18-30(42-31(38)29(28)19-37)21-2-10-24(11-3-21)39-32-43-33(40-25-12-6-22(35)7-13-25)45-34(44-32)41-26-14-8-23(36)9-15-26/h2-18H,1H3,(H2,38,42)(H3,39,40,41,43,44,45)"	COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl	GNLHXOWLMMYGDU-UHFFFAOYSA-N
DG66994	"2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-[4-(dimethylamino)phenyl]pyridine-3-carbonitrile"	45028695	NSC743854; NSC-743854	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743854	.	.	.	.	659.6	C35H28Cl2N10	141	964	9.1	47	4	10	9	"InChI=1S/C35H28Cl2N10/c1-47(2)28-17-5-21(6-18-28)29-19-31(43-32(39)30(29)20-38)22-3-11-25(12-4-22)40-33-44-34(41-26-13-7-23(36)8-14-26)46-35(45-33)42-27-15-9-24(37)10-16-27/h3-19H,1-2H3,(H2,39,43)(H3,40,41,42,44,45,46)"	CN(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl	FXJYHXZREBXQFU-UHFFFAOYSA-N
DG66995	NSC743868	45028699	"1-[5-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone; NSC743868; NSC-743868"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743868	.	.	.	.	619.7	C34H31F2N9O	111	971	6.7	46	3	11	9	"InChI=1S/C34H31F2N9O/c1-21(46)45-31(23-6-18-29(19-7-23)44(2)3)20-30(43-45)22-4-12-26(13-5-22)37-32-40-33(38-27-14-8-24(35)9-15-27)42-34(41-32)39-28-16-10-25(36)11-17-28/h4-19,31H,20H2,1-3H3,(H3,37,38,39,40,41,42)"	CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F)C6=CC=C(C=C6)N(C)C	KUGPPKIELDRNIK-UHFFFAOYSA-N
DG66996	"2-N,4-N-bis(4-chlorophenyl)-6-N-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine"	45028705	NSC743874; NSC-743874	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743874	.	.	.	.	596.5	C31H23Cl2N7O2	110	768	8.6	42	3	9	9	"InChI=1S/C31H23Cl2N7O2/c1-41-26-16-4-20(5-17-26)28-18-27(40-42-28)19-2-10-23(11-3-19)34-29-37-30(35-24-12-6-21(32)7-13-24)39-31(38-29)36-25-14-8-22(33)9-15-25/h2-18H,1H3,(H3,34,35,36,37,38,39)"	COC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl	QDQKRFKGWHKZND-UHFFFAOYSA-N
DG66997	"2-N,4-N-bis(4-chlorophenyl)-6-N-[4-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine"	45028707	NSC743876; NSC-743876	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743876	.	.	.	.	656.5	C33H27Cl2N7O4	129	861	8.5	46	3	11	11	"InChI=1S/C33H27Cl2N7O4/c1-43-28-16-20(17-29(44-2)30(28)45-3)27-18-26(42-46-27)19-4-10-23(11-5-19)36-31-39-32(37-24-12-6-21(34)7-13-24)41-33(40-31)38-25-14-8-22(35)9-15-25/h4-18H,1-3H3,(H3,36,37,38,39,40,41)"	COC1=CC(=CC(=C1OC)OC)C2=CC(=NO2)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl	GYEDNOIGJOEIHP-UHFFFAOYSA-N
DG66998	"2-N,4-N-bis(4-chlorophenyl)-6-N-[4-[5-[4-(dimethylamino)phenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine"	45028708	NSC743877; NSC-743877	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743877	.	.	.	.	609.5	C32H26Cl2N8O	104	794	8.7	43	3	9	9	"InChI=1S/C32H26Cl2N8O/c1-42(2)27-17-5-21(6-18-27)29-19-28(41-43-29)20-3-11-24(12-4-20)35-30-38-31(36-25-13-7-22(33)8-14-25)40-32(39-30)37-26-15-9-23(34)10-16-26/h3-19H,1-2H3,(H3,35,36,37,38,39,40)"	CN(C)C1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl	FAONPZMTHQHAJU-UHFFFAOYSA-N
DG66999	"(E)-1-[4-[[4-(4-chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one"	45028711	NSC743880; NSC-743880	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743880	.	.	.	.	567	C31H24ClFN6O2	101	821	8.1	41	3	9	10	"InChI=1S/C31H24ClFN6O2/c1-41-27-17-2-20(3-18-27)4-19-28(40)21-5-11-24(12-6-21)34-29-37-30(35-25-13-7-22(32)8-14-25)39-31(38-29)36-26-15-9-23(33)10-16-26/h2-19H,1H3,(H3,34,35,36,37,38,39)/b19-4+"	COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)F	WTECLSBGIVRQJG-RMOCHZDMSA-N
DG67000	"(E)-1-[4-[[4-(4-chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	45028714	NSC743883; NSC-743883	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743883	.	.	.	.	627.1	C33H28ClFN6O4	120	915	8	45	3	11	12	"InChI=1S/C33H28ClFN6O4/c1-43-28-18-20(19-29(44-2)30(28)45-3)4-17-27(42)21-5-11-24(12-6-21)36-31-39-32(37-25-13-7-22(34)8-14-25)41-33(40-31)38-26-15-9-23(35)10-16-26/h4-19H,1-3H3,(H3,36,37,38,39,40,41)/b17-4+"	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)F	IIYURFKXYHGPOW-HAVNEIBRSA-N
DG67001	"(E)-1-[4-[[4-(4-chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one"	45028715	NSC743884; NSC-743884	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743884	.	.	.	.	580.1	C32H27ClFN7O	95.1	848	8.2	42	3	9	10	"InChI=1S/C32H27ClFN7O/c1-41(2)28-18-3-21(4-19-28)5-20-29(42)22-6-12-25(13-7-22)35-30-38-31(36-26-14-8-23(33)9-15-26)40-32(39-30)37-27-16-10-24(34)11-17-27/h3-20H,1-2H3,(H3,35,36,37,38,39,40)/b20-5+"	CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)F	FYAVSCQPISVICA-DENHBWNVSA-N
DG67002	6-(2-Hydroxy-3-methoxybenzyl)aminopurine-9-riboside	45028717	NSC743891; NSC-743891; 6-(2-hydroxy-3-methoxybenzyl)aminopurine-9-riboside	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743891	.	.	.	.	403.4	C18H21N5O6	155	547	0.7	29	5	10	6	"InChI=1S/C18H21N5O6/c1-28-10-4-2-3-9(13(10)25)5-19-16-12-17(21-7-20-16)23(8-22-12)18-15(27)14(26)11(6-24)29-18/h2-4,7-8,11,14-15,18,24-27H,5-6H2,1H3,(H,19,20,21)"	COC1=CC=CC(=C1O)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O	SJHYLQCPNOPCPE-UHFFFAOYSA-N
DG67003	"N-methyl-1,5-bis(4-cyanophenoxy)-3-aza-pentane"	45028719	"NSC743907; NSC-743907; N-methyl-1,5-bis(4-cyanophenoxy)-3-aza-pentane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743907	.	.	.	.	321.4	C19H19N3O2	69.3	406	3	24	0	5	8	"InChI=1S/C19H19N3O2/c1-22(10-12-23-18-6-2-16(14-20)3-7-18)11-13-24-19-8-4-17(15-21)5-9-19/h2-9H,10-13H2,1H3"	CN(CCOC1=CC=C(C=C1)C#N)CCOC2=CC=C(C=C2)C#N	DECQHPXHXYDZIQ-UHFFFAOYSA-N
DG67004	"1,5-Bis(4-amidinophenoxy)-3-(4-toluenesulphonyl)-3-aza-pentane dihydrochloride"	45028721	"NSC743909; NSC-743909; 1,5-bis(4-amidinophenoxy)-3-(4-toluenesulphonyl)-3-aza-pentane dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743909	.	.	.	.	564.5	C25H27Cl2N5O4S	141	802	5	37	2	7	12	"InChI=1S/C25H27Cl2N5O4S/c1-18-2-12-23(13-3-18)37(33,34)32(14-16-35-21-8-4-19(5-9-21)24(28)30-26)15-17-36-22-10-6-20(7-11-22)25(29)31-27/h2-13H,14-17H2,1H3,(H2,28,30)(H2,29,31)"	CC1=CC=C(C=C1)S(=O)(=O)N(CCOC2=CC=C(C=C2)/C(=N\\Cl)/N)CCOC3=CC=C(C=C3)/C(=N/Cl)/N	BONDLDMYIKKQGK-UHFFFAOYSA-N
DG67005	2-(5-Chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide	45028722	NSC743910; NSC-743910	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743910	.	.	.	.	360.72	C14H12ClF3N4O2	89.3	441	3.3	24	3	8	4	"InChI=1S/C14H12ClF3N4O2/c1-24-10-4-2-7(15)6-9(10)20-12-8(13(23)22-19)3-5-11(21-12)14(16,17)18/h2-6H,19H2,1H3,(H,20,21)(H,22,23)"	COC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN	FKILIECJPZJYGK-UHFFFAOYSA-N
DG67006	2-(5-chloro-2-methoxyanilino)-N-[(E)-(4-nitrophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide	45028724	CHEMBL595900; NSC743912; NSC-743912	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743912	.	.	.	.	493.8	C21H15ClF3N5O4	121	730	5.5	34	2	10	6	"InChI=1S/C21H15ClF3N5O4/c1-34-17-8-4-13(22)10-16(17)27-19-15(7-9-18(28-19)21(23,24)25)20(31)29-26-11-12-2-5-14(6-3-12)30(32)33/h2-11H,1H3,(H,27,28)(H,29,31)/b26-11+"	COC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-]	YLUGDBWUYWDSFI-KBKYJPHKSA-N
DG67007	2-(5-chloro-2-methoxyanilino)-N-[(E)-pyridin-3-ylmethylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide	45028726	CHEMBL595901; NSC743914; NSC-743914	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743914	.	.	.	.	449.8	C20H15ClF3N5O2	88.5	624	4.6	31	2	9	6	"InChI=1S/C20H15ClF3N5O2/c1-31-16-6-4-13(21)9-15(16)27-18-14(5-7-17(28-18)20(22,23)24)19(30)29-26-11-12-3-2-8-25-10-12/h2-11H,1H3,(H,27,28)(H,29,30)/b26-11+"	COC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N/N=C/C3=CN=CC=C3	UGHWFIPAWYKDKG-KBKYJPHKSA-N
DG67008	2-(5-chloro-2-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide	45028727	CHEMBL595198; NSC743915; NSC-743915	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743915	.	.	.	.	433.8	C20H15ClF3N5O	79.3	606	5	30	2	8	5	"InChI=1S/C20H15ClF3N5O/c1-12-4-5-14(21)9-16(12)27-18-15(6-7-17(28-18)20(22,23)24)19(30)29-26-11-13-3-2-8-25-10-13/h2-11H,1H3,(H,27,28)(H,29,30)/b26-11+"	CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N/N=C/C3=CN=CC=C3	ZZTIQJCZOPGNFV-KBKYJPHKSA-N
DG67009	N-[(E)-(4-nitrophenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide	45028731	NSC743919; NSC-743919	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743919	.	.	.	.	429.4	C20H14F3N5O3	112	647	4.6	31	2	9	5	"InChI=1S/C20H14F3N5O3/c21-20(22,23)18-11-14(9-10-24-18)26-17-4-2-1-3-16(17)19(29)27-25-12-13-5-7-15(8-6-13)28(30)31/h1-12H,(H,24,26)(H,27,29)/b25-12+"	C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC(=NC=C3)C(F)(F)F	NQJJZKQYMJEDHF-BRJLIKDPSA-N
DG67010	N-[(E)-pyridin-4-ylmethylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide	45028737	CHEMBL605305; NSC743925; NSC-743925	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743925	.	.	.	.	453.3	C20H13F6N5O	79.3	649	4.9	32	2	11	5	"InChI=1S/C20H13F6N5O/c21-19(22,23)13-2-1-3-14(10-13)29-17-15(4-5-16(30-17)20(24,25)26)18(32)31-28-11-12-6-8-27-9-7-12/h1-11H,(H,29,30)(H,31,32)/b28-11+"	C1=CC(=CC(=C1)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N/N=C/C3=CC=NC=C3)C(F)(F)F	XQMMLHNXJMPKBX-IPBVOBEMSA-N
DG67011	NSC744020	45028743	"methyl 1-(4-[(11aR)-7-methoxy-5-oxo-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxybutyl)-2-(1-methyl-1H-3-indolyl)-1H-benzo[d]imidazole-6-carboxylate; NSC744020; NSC-744020; methyl 1-(4-[(11aR)-7-methoxy-5-oxo-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxybutyl)-2-(1-methyl-1H-3-indolyl)-1H-benzo[d]imidazole-6-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744020	.	.	.	.	605.7	C35H35N5O5	100	1090	4.6	45	0	7	10	"InChI=1S/C35H35N5O5/c1-38-28-11-5-4-9-22(28)17-30(38)33-37-26-13-12-23(35(42)44-3)18-29(26)40(33)14-6-7-16-45-32-20-27-25(19-31(32)43-2)34(41)39-15-8-10-24(39)21-36-27/h4-5,9,11-13,17-21,24H,6-8,10,14-16H2,1-3H3/t24-/m0/s1"	CN1C2=CC=CC=C2C=C1C3=NC4=C(N3CCCCOC5=C(C=C6C(=C5)N=C[C@@H]7CCCN7C6=O)OC)C=C(C=C4)C(=O)OC	ZUCUXVICLPAASK-DEOSSOPVSA-N
DG67012	"2-[3-[(Z)-(5-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide"	45028746	NSC744048; NSC-744048	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744048	.	.	.	.	462.5	C25H22N2O5S	115	761	4.9	33	1	7	6	"InChI=1S/C25H22N2O5S/c1-30-16-9-10-20-18(13-16)24(29)21(32-20)12-15-5-4-6-17(11-15)31-14-23(28)27-25-26-19-7-2-3-8-22(19)33-25/h4-6,9-13H,2-3,7-8,14H2,1H3,(H,26,27,28)/b21-12-"	COC1=CC2=C(C=C1)O/C(=C\\C3=CC(=CC=C3)OCC(=O)NC4=NC5=C(S4)CCCC5)/C2=O	LEXCGYOATXBDSE-MTJSOVHGSA-N
DG67013	(3E)-3-[(3-phenacyloxyphenyl)methylidene]chromen-4-one	45028754	NSC744059; NSC-744059	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744059	.	.	.	.	370.4	C24H18O4	52.6	589	4.7	28	0	4	5	"InChI=1S/C24H18O4/c25-22(18-8-2-1-3-9-18)16-27-20-10-6-7-17(14-20)13-19-15-28-23-12-5-4-11-21(23)24(19)26/h1-14H,15-16H2/b19-13+"	C1/C(=C\\C2=CC(=CC=C2)OCC(=O)C3=CC=CC=C3)/C(=O)C4=CC=CC=C4O1	YEQLMEGOIOLLAD-CPNJWEJPSA-N
DG67014	(3E)-6-methoxy-3-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one	45028755	NSC744060; NSC-744060	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744060	.	.	.	.	430.4	C26H22O6	71.1	672	4.7	32	0	6	7	"InChI=1S/C26H22O6/c1-29-20-9-5-18(6-10-20)24(27)16-31-21-7-3-17(4-8-21)13-19-15-32-25-12-11-22(30-2)14-23(25)26(19)28/h3-14H,15-16H2,1-2H3/b19-13+"	COC1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)/C=C/3\\COC4=C(C3=O)C=C(C=C4)OC	NAHVUTFVYPGCET-CPNJWEJPSA-N
DG67015	(3E)-6-methoxy-3-[[3-[2-(4-nitrophenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one	45028756	NSC744061; NSC-744061	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744061	.	.	.	.	445.4	C25H19NO7	108	752	4.5	33	0	7	6	"InChI=1S/C25H19NO7/c1-31-20-9-10-24-22(13-20)25(28)18(14-33-24)11-16-3-2-4-21(12-16)32-15-23(27)17-5-7-19(8-6-17)26(29)30/h2-13H,14-15H2,1H3/b18-11+"	COC1=CC2=C(C=C1)OC/C(=C\\C3=CC(=CC=C3)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-])/C2=O	HSCOZMKANIYMSG-WOJGMQOQSA-N
DG67016	(3E)-6-chloro-3-[[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one	45028757	NSC744062; NSC-744062	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744062	.	.	.	.	439.3	C24H16Cl2O4	52.6	656	6	30	0	4	5	"InChI=1S/C24H16Cl2O4/c25-18-6-4-16(5-7-18)22(27)14-29-20-3-1-2-15(11-20)10-17-13-30-23-9-8-19(26)12-21(23)24(17)28/h1-12H,13-14H2/b17-10+"	C1/C(=C\\C2=CC(=CC=C2)OCC(=O)C3=CC=C(C=C3)Cl)/C(=O)C4=C(O1)C=CC(=C4)Cl	YBSWZBLVUHORAI-LICLKQGHSA-N
DG67017	"2-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	45028758	NSC744063; NSC-744063	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744063	.	.	.	.	392.4	C21H16N2O4S	106	603	3.6	28	1	6	5	"InChI=1S/C21H16N2O4S/c24-19(23-21-22-9-10-28-21)13-26-16-7-5-14(6-8-16)11-15-12-27-18-4-2-1-3-17(18)20(15)25/h1-11H,12-13H2,(H,22,23,24)/b15-11+"	C1/C(=C\\C2=CC=C(C=C2)OCC(=O)NC3=NC=CS3)/C(=O)C4=CC=CC=C4O1	LEOKKXPXZWEDBA-RVDMUPIBSA-N
DG67018	"2-[3-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	45028759	NSC744064; NSC-744064	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744064	.	.	.	.	392.4	C21H16N2O4S	106	611	3.6	28	1	6	5	"InChI=1S/C21H16N2O4S/c24-19(23-21-22-8-9-28-21)13-26-16-5-3-4-14(11-16)10-15-12-27-18-7-2-1-6-17(18)20(15)25/h1-11H,12-13H2,(H,22,23,24)/b15-10+"	C1/C(=C\\C2=CC(=CC=C2)OCC(=O)NC3=NC=CS3)/C(=O)C4=CC=CC=C4O1	AQLNOCXXBKJOHR-XNTDXEJSSA-N
DG67019	"N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide"	45028760	NSC744065; NSC-744065	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744065	.	.	.	.	420.5	C23H20N2O4S	106	670	4.4	30	1	6	5	"InChI=1S/C23H20N2O4S/c1-14-15(2)30-23(24-14)25-21(26)13-28-18-7-5-6-16(11-18)10-17-12-29-20-9-4-3-8-19(20)22(17)27/h3-11H,12-13H2,1-2H3,(H,24,25,26)/b17-10+"	CC1=C(SC(=N1)NC(=O)COC2=CC=CC(=C2)/C=C/3\\COC4=CC=CC=C4C3=O)C	UPGLSWSUWFICJA-LICLKQGHSA-N
DG67020	(3Z)-3-[[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one	45028763	NSC744068; NSC-744068	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744068	.	.	.	.	416.5	C25H20O4S	77.9	637	5.2	30	0	5	6	"InChI=1S/C25H20O4S/c1-28-20-11-9-18(10-12-20)23(26)15-29-21-6-4-5-17(14-21)13-19-16-30-24-8-3-2-7-22(24)25(19)27/h2-14H,15-16H2,1H3/b19-13+"	COC1=CC=C(C=C1)C(=O)COC2=CC=CC(=C2)/C=C/3\\CSC4=CC=CC=C4C3=O	WMQGVTTVSRUIAG-CPNJWEJPSA-N
DG67021	"2-[4-[(Z)-(4-oxothiochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	45028765	NSC744070; NSC-744070	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744070	.	.	.	.	408.5	C21H16N2O3S2	122	605	4.1	28	1	6	5	"InChI=1S/C21H16N2O3S2/c24-19(23-21-22-9-10-27-21)12-26-16-7-5-14(6-8-16)11-15-13-28-18-4-2-1-3-17(18)20(15)25/h1-11H,12-13H2,(H,22,23,24)/b15-11+"	C1/C(=C\\C2=CC=C(C=C2)OCC(=O)NC3=NC=CS3)/C(=O)C4=CC=CC=C4S1	GSODYGVZSYBGDW-RVDMUPIBSA-N
DG67022	"2-[3-[(Z)-(4-oxothiochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	45028766	NSC744071; NSC-744071	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744071	.	.	.	.	408.5	C21H16N2O3S2	122	613	4.1	28	1	6	5	"InChI=1S/C21H16N2O3S2/c24-19(23-21-22-8-9-27-21)12-26-16-5-3-4-14(11-16)10-15-13-28-18-7-2-1-6-17(18)20(15)25/h1-11H,12-13H2,(H,22,23,24)/b15-10+"	C1/C(=C\\C2=CC(=CC=C2)OCC(=O)NC3=NC=CS3)/C(=O)C4=CC=CC=C4S1	IGPYRHRGXTYWGN-XNTDXEJSSA-N
DG67023	(3Z)-3-[[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]-6-methylthiochromen-4-one	45028770	NSC744075; NSC-744075	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744075	.	.	.	.	430.5	C26H22O4S	77.9	666	5.6	31	0	5	6	"InChI=1S/C26H22O4S/c1-17-6-11-25-23(12-17)26(28)20(16-31-25)13-18-4-3-5-22(14-18)30-15-24(27)19-7-9-21(29-2)10-8-19/h3-14H,15-16H2,1-2H3/b20-13+"	CC1=CC2=C(C=C1)SC/C(=C\\C3=CC(=CC=C3)OCC(=O)C4=CC=C(C=C4)OC)/C2=O	QAUSYDQWMOJAMW-DEDYPNTBSA-N
DG67024	(3Z)-3-[[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]-6-methylthiochromen-4-one	45028771	NSC744076; NSC-744076	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744076	.	.	.	.	434.9	C25H19ClO3S	68.7	655	6.2	30	0	4	5	"InChI=1S/C25H19ClO3S/c1-16-5-10-24-22(11-16)25(28)19(15-30-24)12-17-3-2-4-21(13-17)29-14-23(27)18-6-8-20(26)9-7-18/h2-13H,14-15H2,1H3/b19-12+"	CC1=CC2=C(C=C1)SC/C(=C\\C3=CC(=CC=C3)OCC(=O)C4=CC=C(C=C4)Cl)/C2=O	URPDJNGRNCHXJL-XDHOZWIPSA-N
DG67025	"N-[2-[(Z)-6-[2-(trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]propanamide"	45028777	CHEMBL593615; NSC744165; NSC-744165	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744165	.	.	.	.	367.4	C22H16F3NO	29.1	667	5.5	27	1	4	4	"InChI=1S/C22H16F3NO/c1-2-21(27)26-20-16-10-8-14-18(20)13-6-4-3-5-11-17-12-7-9-15-19(17)22(23,24)25/h3-4,7-10,12,14-16H,2H2,1H3,(H,26,27)/b4-3-"	CCC(=O)NC1=CC=CC=C1C#C/C=C\\C#CC2=CC=CC=C2C(F)(F)F	JLDMNZOCZABNMV-ARJAWSKDSA-N
DG67026	"N-[2-[(Z)-6-(2-methylsulfanylphenyl)hex-3-en-1,5-diynyl]phenyl]propanamide"	45028778	CHEMBL593857; NSC744166; NSC-744166	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744166	.	.	.	.	345.5	C22H19NOS	54.4	597	5.1	25	1	2	5	"InChI=1S/C22H19NOS/c1-3-22(24)23-20-16-10-8-13-18(20)12-6-4-5-7-14-19-15-9-11-17-21(19)25-2/h4-5,8-11,13,15-17H,3H2,1-2H3,(H,23,24)/b5-4-"	CCC(=O)NC1=CC=CC=C1C#C/C=C\\C#CC2=CC=CC=C2SC	FADSVDANHJEFJG-PLNGDYQASA-N
DG67027	1-[6-[2-[2-(4-Nitrophenyl)ethynyl]phenyl]hex-5-ynyl]piperidin-2-one	45028780	NSC744168; NSC-744168	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744168	.	.	.	.	400.5	C25H24N2O3	66.1	721	5.1	30	0	3	7	"InChI=1S/C25H24N2O3/c28-25-12-6-8-20-26(25)19-7-2-1-3-9-22-10-4-5-11-23(22)16-13-21-14-17-24(18-15-21)27(29)30/h4-5,10-11,14-15,17-18H,1-2,6-8,12,19-20H2"	C1CCN(C(=O)C1)CCCCC#CC2=CC=CC=C2C#CC3=CC=C(C=C3)[N+](=O)[O-]	OBIVJCYSEWSBRP-UHFFFAOYSA-N
DG67028	"1-[2-[(Z)-6-(2-methylsulfanylphenyl)hex-3-en-1,5-diynyl]phenyl]pyrrolidin-2-one"	45028782	CHEMBL593822; NSC744170; NSC-744170	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744170	.	.	.	.	357.5	C23H19NOS	45.6	655	4.9	26	0	2	4	"InChI=1S/C23H19NOS/c1-26-22-16-9-7-14-20(22)13-5-3-2-4-11-19-12-6-8-15-21(19)24-18-10-17-23(24)25/h2-3,6-9,12,14-16H,10,17-18H2,1H3/b3-2-"	CSC1=CC=CC=C1C#C/C=C\\C#CC2=CC=CC=C2N3CCCC3=O	AGWLYCRMGHXGFZ-IHWYPQMZSA-N
DG67029	"(11aS)-7-methoxy-8-[3-(4-{3-[(7-methoxy-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one"	45028794	"NSC744329; NSC-744329; (11aS)-7-methoxy-8-[3-(4-{3-[(7-methoxy-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744329	.	.	.	.	618.8	C35H46N4O6	85.3	1030	4.2	45	0	9	12	"InChI=1S/C35H46N4O6/c1-35(2)10-9-25-20-32(31(42-4)23-29(25)45-35)43-18-6-11-37-14-16-38(17-15-37)12-7-19-44-33-22-28-27(21-30(33)41-3)34(40)39-13-5-8-26(39)24-36-28/h9-10,20-24,26H,5-8,11-19H2,1-4H3/t26-/m0/s1"	CC1(C=CC2=CC(=C(C=C2O1)OC)OCCCN3CCN(CC3)CCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC)C	AUSABBPUVJJYMF-SANMLTNESA-N
DG67030	NSC744330	45028795	"(2R,11aS)-2-Fluoro-7-Methoxy-5-oxo-2,3,5,11a-tetrahydro-1-H-benzo[e]-pyrrolo[1,2-a][1,4]diazepine-8-yl}propyl)piperazino]propoxy}-2-fluoro-7-Methoxy-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2a][1,4]diazepin-5one; NSC744330; NSC-744330; (2R,11aS)-2-Fluoro-7-Methoxy-5-oxo-2,3,5,11a-tetrahydro-1-H-benzo[e]-pyrrolo[1,2-a][1,4]diazepine-8-yl}propyl)piperazino]propoxy}-2-fluoro-7-Methoxy-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2a][1,4]diazepin-5one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744330	.	.	.	.	694.8	C36H44F2N6O6	109	1150	2.6	50	0	12	12	"InChI=1S/C36H44F2N6O6/c1-47-31-15-27-29(39-19-25-13-23(37)21-43(25)35(27)45)17-33(31)49-11-3-5-41-7-9-42(10-8-41)6-4-12-50-34-18-30-28(16-32(34)48-2)36(46)44-22-24(38)14-26(44)20-40-30/h15-20,23-26H,3-14,21-22H2,1-2H3/t23-,24-,25+,26+/m1/s1"	COC1=C(C=C2C(=C1)C(=O)N3C[C@@H](C[C@H]3C=N2)F)OCCCN4CCN(CC4)CCCOC5=C(C=C6C(=C5)N=C[C@@H]7C[C@H](CN7C6=O)F)OC	IFSWCDUZMRLVNK-XPGKHFPBSA-N
DG67031	"(11aS)-7-methoxy-8-6-[4-(2-methyl-4-oxo-3,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one"	45028796	"SCHEMBL2618920; CHEMBL1812759; NSC744332; NSC-744332; (11aS)-7-methoxy-8-6-[4-(2-methyl-4-oxo-3,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744332	.	.	.	.	566.6	C33H34N4O5	93	1010	4.3	42	0	7	10	"InChI=1S/C33H34N4O5/c1-22-35-28-11-5-4-10-26(28)33(39)37(22)23-12-14-25(15-13-23)41-17-6-3-7-18-42-31-20-29-27(19-30(31)40-2)32(38)36-16-8-9-24(36)21-34-29/h4-5,10-15,19-21,24H,3,6-9,16-18H2,1-2H3/t24-/m0/s1"	CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OCCCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC	GPDRVHRWVHPAOX-DEOSSOPVSA-N
DG67032	4-morpholino-6-phenyl-2-thioxo-1H-pyrimidine-5-carbonitrile	45028809	CHEMBL2415044; NSC744449; NSC-744449; 4-morpholino-6-phenyl-2-thioxo-1H-pyrimidine-5-carbonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744449	.	.	.	.	298.4	C15H14N4OS	92.7	533	1.1	21	1	3	2	"InChI=1S/C15H14N4OS/c16-10-12-13(11-4-2-1-3-5-11)17-15(21)18-14(12)19-6-8-20-9-7-19/h1-5H,6-9H2,(H,17,18,21)"	C1COCCN1C2=NC(=S)NC(=C2C#N)C3=CC=CC=C3	CCADPJPLVPHEJS-UHFFFAOYSA-N
DG67033	6-(2-furyl)-4-morpholino-2-thioxo-1H-pyrimidine-5-carbonitrile	45028810	CHEMBL2415046; NSC744450; NSC-744450; 6-(2-furyl)-4-morpholino-2-thioxo-1H-pyrimidine-5-carbonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744450	.	.	.	.	288.33	C13H12N4O2S	106	528	0.2	20	1	4	2	"InChI=1S/C13H12N4O2S/c14-8-9-11(10-2-1-5-19-10)15-13(20)16-12(9)17-3-6-18-7-4-17/h1-2,5H,3-4,6-7H2,(H,15,16,20)"	C1COCCN1C2=NC(=S)NC(=C2C#N)C3=CC=CO3	VYGRDYUATGUHGI-UHFFFAOYSA-N
DG67034	"3-cyano-3,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxypropyl)-1-piperazinecarbodithioate"	45028821	"SCHEMBL2131861; NSC744469; NSC-744469; 3-cyano-3,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxypropyl)-1-piperazinecarbodithioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744469	.	.	.	.	667.9	C37H41N5O3S2	139	1110	5.5	47	0	8	12	"InChI=1S/C37H41N5O3S2/c1-44-33-24-31-32(39-26-30-14-8-17-42(30)35(31)43)25-34(33)45-22-9-16-40-18-20-41(21-19-40)36(46)47-23-15-37(27-38,28-10-4-2-5-11-28)29-12-6-3-7-13-29/h2-7,10-13,24-26,30H,8-9,14-23H2,1H3/t30-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OCCCN4CCN(CC4)C(=S)SCCC(C#N)(C5=CC=CC=C5)C6=CC=CC=C6	OFPUBDPPVJXQNW-PMERELPUSA-N
DG67035	"3-cyano-3,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxybutyl)-1-piperazinecarbodithioate"	45028822	"SCHEMBL2131558; NSC744470; NSC-744470; 3-cyano-3,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxybutyl)-1-piperazinecarbodithioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744470	.	.	.	.	681.9	C38H43N5O3S2	139	1120	5.9	48	0	8	13	"InChI=1S/C38H43N5O3S2/c1-45-34-25-32-33(40-27-31-15-10-18-43(31)36(32)44)26-35(34)46-23-9-8-17-41-19-21-42(22-20-41)37(47)48-24-16-38(28-39,29-11-4-2-5-12-29)30-13-6-3-7-14-30/h2-7,11-14,25-27,31H,8-10,15-24H2,1H3/t31-/m0/s1"	COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OCCCCN4CCN(CC4)C(=S)SCCC(C#N)(C5=CC=CC=C5)C6=CC=CC=C6	YFXJRUFVZVFRIW-HKBQPEDESA-N
DG67036	N-(2-aminophenyl)-4-[3-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-1-en-2-yl]benzamide;hydrochloride	45028828	NSC744536; NSC-744536	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744536	.	.	.	.	518	C26H27ClF3N5O	74.5	716	.	36	3	8	6	"InChI=1S/C26H26F3N5O.ClH/c1-18(19-9-11-20(12-10-19)25(35)31-22-6-3-2-5-21(22)30)17-33-13-15-34(16-14-33)24-8-4-7-23(32-24)26(27,28)29;/h2-12H,1,13-17,30H2,(H,31,35);1H"	C=C(CN1CCN(CC1)C2=CC=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N.Cl	YKGDUTPHXZCJDU-UHFFFAOYSA-N
DG67037	"2-(5-chloro-2-methoxyanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide"	45028829	NSC744607; NSC-744607	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744607	.	.	.	.	517.7	C21H14Cl3F3N4O2	75.6	678	7	33	2	8	6	"InChI=1S/C21H14Cl3F3N4O2/c1-33-17-7-5-11(22)9-16(17)29-19-12(6-8-18(30-19)21(25,26)27)20(32)31-28-10-13-14(23)3-2-4-15(13)24/h2-10H,1H3,(H,29,30)(H,31,32)/b28-10+"	COC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N/N=C/C3=C(C=CC=C3Cl)Cl	XUXNWAYEERAMQV-ORBVJSQLSA-N
DG67038	2-(5-chloro-2-methoxyanilino)-N-[(E)-(4-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide	45028830	NSC744608; NSC-744608	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744608	.	.	.	.	483.3	C21H15Cl2F3N4O2	75.6	647	6.3	32	2	8	6	"InChI=1S/C21H15Cl2F3N4O2/c1-32-17-8-6-14(23)10-16(17)28-19-15(7-9-18(29-19)21(24,25)26)20(31)30-27-11-12-2-4-13(22)5-3-12/h2-11H,1H3,(H,28,29)(H,30,31)/b27-11+"	COC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N/N=C/C3=CC=C(C=C3)Cl	FYPWBCJERZWMLB-LUOAPIJWSA-N
DG67039	2-(4-chloro-2-methylanilino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide	45028831	CHEMBL596118; NSC744609; NSC-744609	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744609	.	.	.	.	448.8	C21H16ClF3N4O2	86.6	636	5.7	31	3	8	5	"InChI=1S/C21H16ClF3N4O2/c1-12-9-14(22)5-7-17(12)27-19-16(6-8-18(28-19)21(23,24)25)20(31)29-26-11-13-3-2-4-15(30)10-13/h2-11,30H,1H3,(H,27,28)(H,29,31)/b26-11+"	CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N/N=C/C3=CC(=CC=C3)O	LSHSVKJOTAEYAP-KBKYJPHKSA-N
DG67040	"N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]benzamide"	45028836	NSC744614; NSC-744614	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744614	.	.	.	.	452.3	C21H14Cl2F3N3O	53.5	605	7.1	30	2	6	5	"InChI=1S/C21H14Cl2F3N3O/c22-15-9-8-13(18(23)11-15)12-27-29-20(30)17-6-1-2-7-19(17)28-16-5-3-4-14(10-16)21(24,25)26/h1-12,28H,(H,29,30)/b27-12+"	C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C=C(C=C2)Cl)Cl)NC3=CC=CC(=C3)C(F)(F)F	QOGZXFGZIUYRGJ-KKMKTNMSSA-N
DG67041	NSC744622	45028841	"4,13,17,21-Pentamethyl-docosa-4,8,12,16,20-pentaenoic acid[1-(3,3-difluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2-oxo-1,2-dihydro-pyrimidin-4-yl]-amide; NSC744622; NSC-744622; 4,13,17,21-Pentamethyl-docosa-4,8,12,16,20-pentaenoic acid[1-(3,3-difluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2-oxo-1,2-dihydro-pyrimidin-4-yl]-amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744622	.	.	.	.	645.8	C36H53F2N3O5	112	1260	8.2	46	3	7	18	"InChI=1S/C36H53F2N3O5/c1-25(2)12-9-15-28(5)18-10-16-26(3)13-7-8-14-27(4)17-11-19-29(6)20-21-32(43)39-31-22-23-41(35(45)40-31)34-36(37,38)33(44)30(24-42)46-34/h12-14,18-19,22-23,30,33-34,42,44H,7-11,15-17,20-21,24H2,1-6H3,(H,39,40,43,45)/b26-13+,27-14+,28-18+,29-19+"	CC(=CCC/C(=C/CC/C(=C/CC/C=C(\\C)/CC/C=C(\\C)/CCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)(F)F)/C)/C)C	XHTNLZSBAIUJKQ-XBIRMSLCSA-N
DG67042	(3Z)-6-chloro-3-[[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one	45028842	NSC744623; NSC-744623	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744623	.	.	.	.	450.9	C25H19ClO4S	77.9	672	5.9	31	0	5	6	"InChI=1S/C25H19ClO4S/c1-29-20-8-5-17(6-9-20)23(27)14-30-21-4-2-3-16(12-21)11-18-15-31-24-10-7-19(26)13-22(24)25(18)28/h2-13H,14-15H2,1H3/b18-11+"	COC1=CC=C(C=C1)C(=O)COC2=CC=CC(=C2)/C=C/3\\CSC4=C(C3=O)C=C(C=C4)Cl	CPRVCSKKNMOCNP-WOJGMQOQSA-N
DG67043	(3Z)-6-chloro-3-[[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one	45028843	NSC744624; NSC-744624	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744624	.	.	.	.	455.4	C24H16Cl2O3S	68.7	659	6.5	30	0	4	5	"InChI=1S/C24H16Cl2O3S/c25-18-6-4-16(5-7-18)22(27)13-29-20-3-1-2-15(11-20)10-17-14-30-23-9-8-19(26)12-21(23)24(17)28/h1-12H,13-14H2/b17-10+"	C1/C(=C\\C2=CC(=CC=C2)OCC(=O)C3=CC=C(C=C3)Cl)/C(=O)C4=C(S1)C=CC(=C4)Cl	SUZWDLZOBXAFAO-LICLKQGHSA-N
DG67044	(2Z)-2-[[4-[2-(4-nitrophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one	45028846	NSC744627; NSC-744627	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744627	.	.	.	.	451.4	C27H17NO6	98.4	802	6.1	34	0	6	5	"InChI=1S/C27H17NO6/c29-23(19-7-10-20(11-8-19)28(31)32)16-33-21-12-5-17(6-13-21)15-25-27(30)26-22-4-2-1-3-18(22)9-14-24(26)34-25/h1-15H,16H2/b25-15-"	C1=CC=C2C(=C1)C=CC3=C2C(=O)/C(=C/C4=CC=C(C=C4)OCC(=O)C5=CC=C(C=C5)[N+](=O)[O-])/O3	CUIYETMXERLSMB-MYYYXRDXSA-N
DG67045	(2Z)-2-[[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one	45028847	NSC744628; NSC-744628	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744628	.	.	.	.	436.5	C28H20O5	61.8	737	6.2	33	0	5	6	"InChI=1S/C28H20O5/c1-31-21-12-9-20(10-13-21)24(29)17-32-22-7-4-5-18(15-22)16-26-28(30)27-23-8-3-2-6-19(23)11-14-25(27)33-26/h2-16H,17H2,1H3/b26-16-"	COC1=CC=C(C=C1)C(=O)COC2=CC=CC(=C2)/C=C\\3/C(=O)C4=C(O3)C=CC5=CC=CC=C54	QNQQXGJEEABXPT-QQXSKIMKSA-N
DG67046	(2Z)-2-[[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one	45028848	NSC744629; NSC-744629	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744629	.	.	.	.	440.9	C27H17ClO4	52.6	725	6.9	32	0	4	5	"InChI=1S/C27H17ClO4/c28-20-11-8-19(9-12-20)23(29)16-31-21-6-3-4-17(14-21)15-25-27(30)26-22-7-2-1-5-18(22)10-13-24(26)32-25/h1-15H,16H2/b25-15-"	C1=CC=C2C(=C1)C=CC3=C2C(=O)/C(=C/C4=CC(=CC=C4)OCC(=O)C5=CC=C(C=C5)Cl)/O3	GIVFQYLAYFHIIH-MYYYXRDXSA-N
DG67047	(2Z)-2-[[3-[2-(4-nitrophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one	45028849	NSC744630; NSC-744630	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744630	.	.	.	.	451.4	C27H17NO6	98.4	810	6.1	34	0	6	5	"InChI=1S/C27H17NO6/c29-23(19-8-11-20(12-9-19)28(31)32)16-33-21-6-3-4-17(14-21)15-25-27(30)26-22-7-2-1-5-18(22)10-13-24(26)34-25/h1-15H,16H2/b25-15-"	C1=CC=C2C(=C1)C=CC3=C2C(=O)/C(=C/C4=CC(=CC=C4)OCC(=O)C5=CC=C(C=C5)[N+](=O)[O-])/O3	XBJYVSFALZULRC-MYYYXRDXSA-N
DG67048	(2E)-2-[[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]benzo[f]chromen-1-one	45028852	NSC744633; NSC-744633	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744633	.	.	.	.	450.5	C29H22O5	61.8	752	5.9	34	0	5	6	"InChI=1S/C29H22O5/c1-32-23-12-9-21(10-13-23)26(30)18-33-24-7-4-5-19(16-24)15-22-17-34-27-14-11-20-6-2-3-8-25(20)28(27)29(22)31/h2-16H,17-18H2,1H3/b22-15+"	COC1=CC=C(C=C1)C(=O)COC2=CC=CC(=C2)/C=C/3\\COC4=C(C3=O)C5=CC=CC=C5C=C4	KRGPNNKHNQKOGE-PXLXIMEGSA-N
DG67049	"N-[4-[2-[3-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]phenyl]acetamide"	45028854	NSC744635; NSC-744635	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744635	.	.	.	.	425.5	C27H23NO4	72.5	721	4.6	32	1	4	6	"InChI=1S/C27H23NO4/c1-18(29)28-23-13-11-21(12-14-23)26(30)17-32-24-7-4-5-19(16-24)15-22-10-9-20-6-2-3-8-25(20)27(22)31/h2-8,11-16H,9-10,17H2,1H3,(H,28,29)/b22-15+"	CC(=O)NC1=CC=C(C=C1)C(=O)COC2=CC=CC(=C2)/C=C/3\\CCC4=CC=CC=C4C3=O	TUVVSFFOGSCTKJ-PXLXIMEGSA-N
DG67050	"(2E)-7-methoxy-2-[(3-phenacyloxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one"	45028855	NSC744636; NSC-744636	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744636	.	.	.	.	398.4	C26H22O4	52.6	633	5.4	30	0	4	6	"InChI=1S/C26H22O4/c1-29-22-13-12-19-10-11-21(26(28)24(19)16-22)14-18-6-5-9-23(15-18)30-17-25(27)20-7-3-2-4-8-20/h2-9,12-16H,10-11,17H2,1H3/b21-14+"	COC1=CC2=C(CC/C(=C\\C3=CC(=CC=C3)OCC(=O)C4=CC=CC=C4)/C2=O)C=C1	LOROVRJYZWVYKE-KGENOOAVSA-N
DG67051	NSC744646	45028865	"ethyl 2-[[2-[3-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate; NSC744646; NSC-744646"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744646	.	.	.	.	506.6	C27H26N2O6S	132	835	5.2	36	1	8	9	"InChI=1S/C27H26N2O6S/c1-4-34-26(32)25-16(2)28-27(36-25)29-23(30)15-35-21-7-5-6-17(13-21)12-19-9-8-18-14-20(33-3)10-11-22(18)24(19)31/h5-7,10-14H,4,8-9,15H2,1-3H3,(H,28,29,30)/b19-12+"	CCOC(=O)C1=C(N=C(S1)NC(=O)COC2=CC=CC(=C2)/C=C/3\\CCC4=C(C3=O)C=CC(=C4)OC)C	LLLFGHQEZVLOFU-XDHOZWIPSA-N
DG67052	NSC744647	45028866	"ethyl 2-[[2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate; NSC744647; NSC-744647"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744647	.	.	.	.	506.6	C27H26N2O6S	132	827	5.2	36	1	8	9	"InChI=1S/C27H26N2O6S/c1-4-34-26(32)25-16(2)28-27(36-25)29-23(30)15-35-20-9-5-17(6-10-20)13-19-8-7-18-14-21(33-3)11-12-22(18)24(19)31/h5-6,9-14H,4,7-8,15H2,1-3H3,(H,28,29,30)/b19-13+"	CCOC(=O)C1=C(N=C(S1)NC(=O)COC2=CC=C(C=C2)/C=C/3\\CCC4=C(C3=O)C=CC(=C4)OC)C	GRVDEBZOEWDDEY-CPNJWEJPSA-N
DG67053	"(2E)-5,6-dimethoxy-2-[(3-phenacyloxyphenyl)methylidene]-3H-inden-1-one"	45028869	NSC744650; NSC-744650	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744650	.	.	.	.	414.4	C26H22O5	61.8	665	5.1	31	0	5	7	"InChI=1S/C26H22O5/c1-29-24-14-19-13-20(26(28)22(19)15-25(24)30-2)11-17-7-6-10-21(12-17)31-16-23(27)18-8-4-3-5-9-18/h3-12,14-15H,13,16H2,1-2H3/b20-11+"	COC1=C(C=C2C(=C1)C/C(=C\\C3=CC(=CC=C3)OCC(=O)C4=CC=CC=C4)/C2=O)OC	DYSBPHAWJRAUAL-RGVLZGJSSA-N
DG67054	"1-[5-[4-(Dimethylamino)phenyl]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	45028872	CHEMBL1224578; NSC744677; NSC-744677	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744677	.	.	.	.	397.5	C22H27N3O4	63.6	575	2.7	29	0	6	6	"InChI=1S/C22H27N3O4/c1-14(26)25-19(16-11-20(27-4)22(29-6)21(12-16)28-5)13-18(23-25)15-7-9-17(10-8-15)24(2)3/h7-12,19H,13H2,1-6H3"	CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)N(C)C)C3=CC(=C(C(=C3)OC)OC)OC	AXJHFRFVPWAUQX-UHFFFAOYSA-N
DG67055	"5-(4-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-amine"	45028878	NSC744683; NSC-744683	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744683	.	.	.	.	359.8	C18H18ClN3O3	68.4	395	4	25	2	5	6	"InChI=1S/C18H18ClN3O3/c1-23-15-8-13(9-16(24-2)18(15)25-3)21-14-10-20-22-17(14)11-4-6-12(19)7-5-11/h4-10,21H,1-3H3,(H,20,22)"	COC1=CC(=CC(=C1OC)OC)NC2=C(NN=C2)C3=CC=C(C=C3)Cl	SKNOXMDFVCACAC-UHFFFAOYSA-N
DG67056	"1-Acetyl-5-(3,4,5-trimethoxyphenyl)-3-phenyl-4,5-di-(hydro(1H)pyrazole"	45028881	"CHEMBL1684638; BDBM50338859; NSC744686; NSC-744686; 1-Acetyl-5-(3,4,5-trimethoxyphenyl)-3-phenyl-4,5-di-(hydro(1H)pyrazole; 1-acetyl-5-(3,4,5-trimethoxyphenyl)-3-phenyl-4,5-dihydro-(1h)-pyrazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744686	.	.	.	.	354.4	C20H22N2O4	60.4	504	2.6	26	0	5	5	"InChI=1S/C20H22N2O4/c1-13(23)22-17(12-16(21-22)14-8-6-5-7-9-14)15-10-18(24-2)20(26-4)19(11-15)25-3/h5-11,17H,12H2,1-4H3"	CC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC	GPXBKWFDMRUFFY-UHFFFAOYSA-N
DG67057	"1-[5-(4-Methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	45028883	CHEMBL1224577; NSC744688; NSC-744688	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744688	.	.	.	.	400.5	C21H24N2O4S	85.7	551	3.1	28	0	6	6	"InChI=1S/C21H24N2O4S/c1-13(24)23-18(12-17(22-23)14-6-8-16(28-5)9-7-14)15-10-19(25-2)21(27-4)20(11-15)26-3/h6-11,18H,12H2,1-5H3"	CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)SC)C3=CC(=C(C(=C3)OC)OC)OC	WSHQABRXPCSCRM-UHFFFAOYSA-N
DG67058	"N-[4-(4-Fluorophenoxy)-3-pyridylsulfonyl]-N'-(3,4-dichlorophenyl)urea monoethanolate"	45028897	"NSC744703; NSC-744703; N-[4-(4-Fluorophenoxy)-3-pyridylsulfonyl]-N'-(3,4-dichlorophenyl)urea monoethanolate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744703	.	.	.	.	456.3	C18H12Cl2FN3O4S	106	658	4.4	29	2	6	5	"InChI=1S/C18H12Cl2FN3O4S/c19-14-6-3-12(9-15(14)20)23-18(25)24-29(26,27)17-10-22-8-7-16(17)28-13-4-1-11(21)2-5-13/h1-10H,(H2,23,24,25)"	C1=CC(=CC=C1OC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)F	ZYARUYWKWCMFDG-UHFFFAOYSA-N
DG67059	2-(2-Hydroxy-3-morpholino-propyl)sulfanyl-4-morpholino-6-phenyl-pyrimidine-5-carbonitrile	45028927	CHEMBL2415032; NSC744860; NSC-744860; 2-(2-hydroxy-3-morpholino-propyl)sulfanyl-4-morpholino-6-phenyl-pyrimidine-5-carbonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744860	.	.	.	.	441.5	C22H27N5O3S	120	587	1.6	31	1	9	7	"InChI=1S/C22H27N5O3S/c23-14-19-20(17-4-2-1-3-5-17)24-22(25-21(19)27-8-12-30-13-9-27)31-16-18(28)15-26-6-10-29-11-7-26/h1-5,18,28H,6-13,15-16H2"	C1COCCN1CC(CSC2=NC(=C(C(=N2)N3CCOCC3)C#N)C4=CC=CC=C4)O	XVBPHNRNGMNJTB-UHFFFAOYSA-N
DG67060	"3-Carboxy-2,5-dimethyl-1H-pyrrol-2-ylmethylene)-5-(1H-indol-2-yl)-3-methoxy-2H-pyrrolium, tartrate"	45028942	"NSC744912; NSC-744912; 3-Carboxy-2,5-dimethyl-1H-pyrrol-2-ylmethylene)-5-(1H-indol-2-yl)-3-methoxy-2H-pyrrolium, tartrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744912	.	.	.	.	467.5	C24H25N3O7	165	911	.	34	6	9	5	"InChI=1S/C20H19N3O.C4H6O6/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17;5-1(3(7)8)2(6)4(9)10/h4-11,21,23H,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/b18-17-,19-10-;"	CC1=CC(=C(N1)/C=C\\2/C(=C/C(=C/3\\C=C4C=CC=CC4=N3)/N2)OC)C.C(C(C(=O)O)O)(C(=O)O)O	VBAXTTBZODXRIZ-LZOXOEDVSA-N
DG67061	NSC744991	45028944	"(11aS)-8-[3-(4-6-[4-(3-[(11aR)-7-methoxy-5-oxo-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxypropoxy)phenyl]-[(4-methylphenyl)sulphonyl]-9H-3-carbazolylphenoxy)propoxy]-7-methoxy-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one; NSC744991; NSC-744991; (11aS)-8-[3-(4-6-[4-(3-[(11aR)-7-methoxy-5-oxo-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxypropoxy)phenyl]-[(4-methylphenyl)sulphonyl]-9H-3-carbazolylphenoxy)propoxy]-7-methoxy-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744991	.	.	.	.	1076.2	C63H57N5O10S	168	2220	8.7	79	0	12	18	"InChI=1S/C63H57N5O10S/c1-40-10-22-49(23-11-40)79(71,72)68-56-24-16-43(41-12-18-47(19-13-41)75-28-6-30-77-60-36-54-52(34-58(60)73-2)62(69)66-26-4-8-45(66)38-64-54)32-50(56)51-33-44(17-25-57(51)68)42-14-20-48(21-15-42)76-29-7-31-78-61-37-55-53(35-59(61)74-3)63(70)67-27-5-9-46(67)39-65-55/h10-14,16-20,22-25,32-39,45-46H,4-9,26-31H2,1-3H3/t45-,46-/m0/s1"	CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)OCCCOC5=C(C=C6C(=C5)N=C[C@@H]7CCCN7C6=O)OC)C8=C2C=CC(=C8)C9=C=C=C(C=C9)OCCCOC1=C(C=C2C(=C1)N=C[C@@H]1CCCN1C2=O)OC	PCIPXGSJKWTRII-ZYBCLOSLSA-N
DG67062	(3E)-3-[(4-hydroxyphenyl)methylidene]-6-phenylchromen-4-one	45028950	NSC744999; NSC-744999	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744999	.	.	.	.	328.4	C22H16O3	46.5	497	4.6	25	1	3	2	"InChI=1S/C22H16O3/c23-19-9-6-15(7-10-19)12-18-14-25-21-11-8-17(13-20(21)22(18)24)16-4-2-1-3-5-16/h1-13,23H,14H2/b18-12+"	C1/C(=C\\C2=CC=C(C=C2)O)/C(=O)C3=C(O1)C=CC(=C3)C4=CC=CC=C4	GCNFPNHAWYJBGT-LDADJPATSA-N
DG67063	1-[6-[3-(2-Pyridin-3-ylethynyl)phenyl]hex-5-ynyl]piperidin-2-one	45028957	NSC745018; NSC-745018	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745018	.	.	.	.	356.5	C24H24N2O	33.2	613	4.2	27	0	2	7	"InChI=1S/C24H24N2O/c27-24-13-4-6-18-26(24)17-5-2-1-3-9-21-10-7-11-22(19-21)14-15-23-12-8-16-25-20-23/h7-8,10-12,16,19-20H,1-2,4-6,13,17-18H2"	C1CCN(C(=O)C1)CCCCC#CC2=CC(=CC=C2)C#CC3=CN=CC=C3	FFADUVTXSJYHEL-UHFFFAOYSA-N
DG67064	6-methyl-N-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-3-carboxamide	45028963	NSC745062; NSC-745062	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745062	.	.	.	.	331.4	C20H17N3O2	63.6	448	3.7	25	1	4	5	"InChI=1S/C20H17N3O2/c1-15-10-11-17(14-21-15)20(24)23-22-13-16-6-5-9-19(12-16)25-18-7-3-2-4-8-18/h2-14H,1H3,(H,23,24)/b22-13+"	CC1=NC=C(C=C1)C(=O)N/N=C/C2=CC(=CC=C2)OC3=CC=CC=C3	XPJXCLBIQQPFFP-LPYMAVHISA-N
DG67065	"1-[5-(3-Bromophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	45028986	CHEMBL1224507; NSC745089; NSC-745089	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745089	.	.	.	.	433.3	C20H21BrN2O4	60.4	544	3.3	27	0	5	5	"InChI=1S/C20H21BrN2O4/c1-12(24)23-17(11-16(22-23)13-6-5-7-15(21)8-13)14-9-18(25-2)20(27-4)19(10-14)26-3/h5-10,17H,11H2,1-4H3"	CC(=O)N1C(CC(=N1)C2=CC(=CC=C2)Br)C3=CC(=C(C(=C3)OC)OC)OC	SZRVVNZEJHWCFG-UHFFFAOYSA-N
DG67066	"1-[5-[4-(Diethylamino)phenyl]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	45028987	CHEMBL1224579; NSC745090; NSC-745090	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745090	.	.	.	.	425.5	C24H31N3O4	63.6	602	3.5	31	0	6	8	"InChI=1S/C24H31N3O4/c1-7-26(8-2)19-11-9-17(10-12-19)20-15-21(27(25-20)16(3)28)18-13-22(29-4)24(31-6)23(14-18)30-5/h9-14,21H,7-8,15H2,1-6H3"	CCN(CC)C1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C	ZEQZWVXJKZPDND-UHFFFAOYSA-N
DG67067	"[3-(Furan-2-yl)-5-(4-methylsulfonylphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone"	45028994	NSC745097; NSC-745097	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745097	.	.	.	.	484.5	C24H24N2O7S	116	836	2.6	34	0	8	7	"InChI=1S/C24H24N2O7S/c1-30-21-12-16(13-22(31-2)23(21)32-3)24(27)26-19(20-6-5-11-33-20)14-18(25-26)15-7-9-17(10-8-15)34(4,28)29/h5-13,19H,14H2,1-4H3"	COC1=CC(=CC(=C1OC)OC)C(=O)N2C(CC(=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CO4	RLYCUMIJMBHPQE-UHFFFAOYSA-N
DG67068	NSC745102	45028995	"L-Valine,N-dimethyl-, (1R,2E,6S,10E,11aS,13S,14aR)-4,6,7,8,9,11a,12,13,14,14a-decahydro-13-hydroxy-6-methyl-4-oxo-1H-cyclopent[f]oxacyclotridecin-1-yl ester, hydrochloride; NSC745102; NSC-745102; L-Valine,N-dimethyl-, (1R,2E,6S,10E,11aS,13S,14aR)-4,6,7,8,9,11a,12,13,14,14a-decahydro-13-hydroxy-6-methyl-4-oxo-1H-cyclopent[f]oxacyclotridecin-1-yl ester, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745102	.	.	.	.	444	C23H38ClNO5	76.1	612	.	30	2	6	5	"InChI=1S/C23H37NO5.ClH/c1-15(2)22(24(4)5)23(27)29-20-11-12-21(26)28-16(3)9-7-6-8-10-17-13-18(25)14-19(17)20;/h8,10-12,15-20,22,25H,6-7,9,13-14H2,1-5H3;1H/b10-8+,12-11+;/t16-,17+,18-,19+,20+,22-;/m0./s1"	C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O1)OC(=O)[C@H](C(C)C)N(C)C)O.Cl	KGJLAKCYINPKMC-VJZMYGOLSA-N
DG67069	NSC745103	45028997	"D-Valine,N-dimethyl-, (1R,2E,6S,10E,11aS,13S,14aR)-4,6,7,8,9,11a,12,13,14,14a-decahydro-13-hydroxy-6-methyl-4-oxo-1H-cyclopent[f]oxacyclotridecin-1-yl ester, hydrochloride; NSC745103; NSC-745103; D-Valine,N-dimethyl-, (1R,2E,6S,10E,11aS,13S,14aR)-4,6,7,8,9,11a,12,13,14,14a-decahydro-13-hydroxy-6-methyl-4-oxo-1H-cyclopent[f]oxacyclotridecin-1-yl ester, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745103	.	.	.	.	444	C23H38ClNO5	76.1	612	.	30	2	6	5	"InChI=1S/C23H37NO5.ClH/c1-15(2)22(24(4)5)23(27)29-20-11-12-21(26)28-16(3)9-7-6-8-10-17-13-18(25)14-19(17)20;/h8,10-12,15-20,22,25H,6-7,9,13-14H2,1-5H3;1H/b10-8+,12-11+;/t16-,17+,18-,19+,20+,22+;/m0./s1"	C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O1)OC(=O)[C@@H](C(C)C)N(C)C)O.Cl	KGJLAKCYINPKMC-PKOYAMDNSA-N
DG67070	6-(1-Benzofuran-2-yl)-4-(4-chlorophenyl)-2-methylsulfanylpyridine-3-carbonitrile	45029032	NSC745287; NSC-745287	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745287	.	.	.	.	376.9	C21H13ClN2OS	75.1	529	5.8	26	0	4	3	"InChI=1S/C21H13ClN2OS/c1-26-21-17(12-23)16(13-6-8-15(22)9-7-13)11-18(24-21)20-10-14-4-2-3-5-19(14)25-20/h2-11H,1H3"	CSC1=C(C(=CC(=N1)C2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)Cl)C#N	ZIJQSUWQJPGPHF-UHFFFAOYSA-N
DG67071	"2,6-Dichloro-9-[2-(2-chloroethoxy)ethyl]purine"	45029046	NSC745301; NSC-745301	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745301	.	.	.	.	295.5	C9H9Cl3N4O	52.8	248	2.4	17	0	4	5	"InChI=1S/C9H9Cl3N4O/c10-1-3-17-4-2-16-5-13-6-7(11)14-9(12)15-8(6)16/h5H,1-4H2"	C1=NC2=C(N1CCOCCCl)N=C(N=C2Cl)Cl	PABIEFNWZUKKMB-UHFFFAOYSA-N
DG67072	"7-Methoxy-8-(4-2-methoxy-4-[(10-oxo-9,10-dihydro-9-nthracenyliden)methyl]"	45029072	"NSC745355; NSC-745355; 7-methoxy-8-(4-2-methoxy-4-[(10-oxo-9,10-dihydro-9-nthracenyliden)methyl]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745355	.	.	.	.	628.7	C39H36N2O6	86.7	1130	6.5	47	0	7	10	"InChI=1S/C39H36N2O6/c1-44-35-21-25(20-31-27-11-3-5-13-29(27)38(42)30-14-6-4-12-28(30)31)15-16-34(35)46-18-7-8-19-47-37-23-33-32(22-36(37)45-2)39(43)41-17-9-10-26(41)24-40-33/h3-6,11-16,20-24,26H,7-10,17-19H2,1-2H3"	COC1=C(C=CC(=C1)C=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42)OCCCCOC5=C(C=C6C(=C5)N=CC7CCCN7C6=O)OC	RPDVVSQGCUDZGT-UHFFFAOYSA-N
DG67073	"(3E)-3-[(3,4-dihydroxyphenyl)methylidene]-6-phenylchromen-4-one"	45029091	NSC745449; NSC-745449	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745449	.	.	.	.	344.4	C22H16O4	66.8	536	4.2	26	2	4	2	"InChI=1S/C22H16O4/c23-19-8-6-14(11-20(19)24)10-17-13-26-21-9-7-16(12-18(21)22(17)25)15-4-2-1-3-5-15/h1-12,23-24H,13H2/b17-10+"	C1/C(=C\\C2=CC(=C(C=C2)O)O)/C(=O)C3=C(O1)C=CC(=C3)C4=CC=CC=C4	ASDKBBJVMJRBTF-LICLKQGHSA-N
DG67074	2-(2-Benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone	45029092	CHEMBL1652098; NSC745450; NSC-745450	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745450	.	.	.	.	370.4	C23H18N2O3	61.2	552	4.6	28	0	4	6	"InChI=1S/C23H18N2O3/c1-28-18-13-11-16(12-14-18)21(26)15-25-20-10-6-5-9-19(20)24-23(25)22(27)17-7-3-2-4-8-17/h2-14H,15H2,1H3"	COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)C4=CC=CC=C4	BLEYEEGLQQKZIS-UHFFFAOYSA-N
DG67075	2-(2-Benzoylbenzimidazol-1-yl)-1-(4-fluorophenyl)ethanone	45029093	CHEMBL1652099; NSC745451; NSC-745451	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745451	.	.	.	.	358.4	C22H15FN2O2	52	540	4.7	27	0	4	5	"InChI=1S/C22H15FN2O2/c23-17-12-10-15(11-13-17)20(26)14-25-19-9-5-4-8-18(19)24-22(25)21(27)16-6-2-1-3-7-16/h1-13H,14H2"	C1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3N2CC(=O)C4=CC=C(C=C4)F	UOMLSIXKPMPUQO-UHFFFAOYSA-N
DG67076	2-[2-(4-Methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone	45029094	CHEMBL1649610; NSC745452; NSC-745452	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745452	.	.	.	.	400.4	C24H20N2O4	70.4	596	4.6	30	0	5	7	"InChI=1S/C24H20N2O4/c1-29-18-11-7-16(8-12-18)22(27)15-26-21-6-4-3-5-20(21)25-24(26)23(28)17-9-13-19(30-2)14-10-17/h3-14H,15H2,1-2H3"	COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)C4=CC=C(C=C4)OC	UTNYBTYLRXMDCJ-UHFFFAOYSA-N
DG67077	1-(4-Chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone	45029096	CHEMBL1652102; NSC745454; NSC-745454	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745454	.	.	.	.	404.8	C23H17ClN2O3	61.2	585	5.2	29	0	4	6	"InChI=1S/C23H17ClN2O3/c1-29-18-12-8-16(9-13-18)22(28)23-25-19-4-2-3-5-20(19)26(23)14-21(27)15-6-10-17(24)11-7-15/h2-13H,14H2,1H3"	COC1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3N2CC(=O)C4=CC=C(C=C4)Cl	OMNKHZNBQPNIHA-UHFFFAOYSA-N
DG67078	2-[2-(4-Chlorobenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone	45029097	CHEMBL1652103; NSC745455; NSC-745455	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745455	.	.	.	.	404.8	C23H17ClN2O3	61.2	585	5.2	29	0	4	6	"InChI=1S/C23H17ClN2O3/c1-29-18-12-8-15(9-13-18)21(27)14-26-20-5-3-2-4-19(20)25-23(26)22(28)16-6-10-17(24)11-7-16/h2-13H,14H2,1H3"	COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)C4=CC=C(C=C4)Cl	MCYUTFUFCIUNTB-UHFFFAOYSA-N
DG67079	4-[3-Ethoxycarbonyl-2-methyl-5-(4-nitrophenyl)pyrrol-1-yl]-2-hydroxybenzoic acid	45029113	NSC745471; NSC-745471	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745471	.	.	.	.	410.4	C21H18N2O7	135	644	4.2	30	2	7	6	"InChI=1S/C21H18N2O7/c1-3-30-21(27)17-11-18(13-4-6-14(7-5-13)23(28)29)22(12(17)2)15-8-9-16(20(25)26)19(24)10-15/h4-11,24H,3H2,1-2H3,(H,25,26)"	CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C=C3)C(=O)O)O)C	TWZMVJGZZBYAKV-UHFFFAOYSA-N
DG67080	"2-(5-chloro-2-methoxyanilino)-6-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide"	45029125	CHEMBL596093; NSC745484; NSC-745484	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745484	.	.	.	.	538.9	C24H22ClF3N4O5	103	750	5.6	37	2	11	9	"InChI=1S/C24H22ClF3N4O5/c1-34-17-7-5-14(25)11-16(17)30-22-15(6-8-20(31-22)24(26,27)28)23(33)32-29-12-13-9-18(35-2)21(37-4)19(10-13)36-3/h5-12H,1-4H3,(H,30,31)(H,32,33)/b29-12+"	COC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N/N=C/C3=CC(=C(C(=C3)OC)OC)OC	LSGGFMVHIWSKLA-XKJRVUDJSA-N
DG67081	"2-[3-(trifluoromethyl)anilino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide"	45029126	NSC745485; NSC-745485	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745485	.	.	.	.	473.4	C24H22F3N3O4	81.2	664	5.7	34	2	9	8	"InChI=1S/C24H22F3N3O4/c1-32-20-11-15(12-21(33-2)22(20)34-3)14-28-30-23(31)18-9-4-5-10-19(18)29-17-8-6-7-16(13-17)24(25,26)27/h4-14,29H,1-3H3,(H,30,31)/b28-14+"	COC1=CC(=CC(=C1OC)OC)/C=N/NC(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F	GBGGEWZUDJCWKI-CCVNUDIWSA-N
DG67082	"[3-[4-(Dimethylamino)phenyl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone"	45029127	NSC745486; NSC-745486	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745486	.	.	.	.	489.6	C28H31N3O5	72.8	732	4.4	36	0	7	8	"InChI=1S/C28H31N3O5/c1-30(2)21-11-7-19(8-12-21)24-17-23(18-9-13-22(33-3)14-10-18)29-31(24)28(32)20-15-25(34-4)27(36-6)26(16-20)35-5/h7-16,24H,17H2,1-6H3"	CN(C)C1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=C(C=C4)OC	FFYFPFWNZWRYNM-UHFFFAOYSA-N
DG67083	"[3-(3-Hydroxy-4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone"	45029128	NSC745487; NSC-745487	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745487	.	.	.	.	462.5	C26H26N2O6	89.8	697	3.9	34	1	7	7	"InChI=1S/C26H26N2O6/c1-31-22-11-10-17(12-21(22)29)20-15-19(16-8-6-5-7-9-16)27-28(20)26(30)18-13-23(32-2)25(34-4)24(14-18)33-3/h5-14,20,29H,15H2,1-4H3"	COC1=C(C=C(C=C1)C2CC(=NN2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4)O	ZQDIKFKVJMAEMW-UHFFFAOYSA-N
DG67084	"(8,9-dimethyl-2-oxo-3-phenyl-5H-pyrano[3,2-c]chromen-5-yl) acetate"	45029154	NSC745523; NSC-745523	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745523	.	.	.	.	362.4	C22H18O5	61.8	685	3.9	27	0	5	3	"InChI=1S/C22H18O5/c1-12-9-17-19(10-13(12)2)26-22(25-14(3)23)18-11-16(21(24)27-20(17)18)15-7-5-4-6-8-15/h4-11,22H,1-3H3"	CC1=CC2=C(C=C1C)OC(C3=C2OC(=O)C(=C3)C4=CC=CC=C4)OC(=O)C	FXAJWNWLWFZDIV-UHFFFAOYSA-N
DG67085	"4-[[1-[5-Cyano-4-(furan-2-yl)-1-methyl-6-oxopyrimidin-2-yl]-3,5-dioxopyrazolidin-4-yl]diazenyl]benzenesulfonamide"	45029189	NSC745582; NSC-745582	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745582	.	.	.	.	482.4	C19H14N8O6S	212	1150	-0.1	34	2	11	5	"InChI=1S/C19H14N8O6S/c1-26-17(29)12(9-20)14(13-3-2-8-33-13)22-19(26)27-18(30)15(16(28)25-27)24-23-10-4-6-11(7-5-10)34(21,31)32/h2-8,15H,1H3,(H,25,28)(H2,21,31,32)"	CN1C(=O)C(=C(N=C1N2C(=O)C(C(=O)N2)N=NC3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CO4)C#N	PMGAMKXZQPSIPB-UHFFFAOYSA-N
DG67086	4-Morpholino-2-(oxiran-2-ylmethylsulfanyl)-6-phenyl-pyrimidine-5-carbonitrile	45029198	CHEMBL2415030; NSC745591; NSC-745591; 4-morpholino-2-(oxiran-2-ylmethylsulfanyl)-6-phenyl-pyrimidine-5-carbonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745591	.	.	.	.	354.4	C18H18N4O2S	99.9	487	2.2	25	0	7	5	"InChI=1S/C18H18N4O2S/c19-10-15-16(13-4-2-1-3-5-13)20-18(25-12-14-11-24-14)21-17(15)22-6-8-23-9-7-22/h1-5,14H,6-9,11-12H2"	C1COCCN1C2=NC(=NC(=C2C#N)C3=CC=CC=C3)SCC4CO4	RJNDVEKZNZXAAU-UHFFFAOYSA-N
DG67087	"4-(2,4-Dichlorophenyl)-1,2-diphenylimidazole"	45029218	NSC745617; NSC-745617	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745617	.	.	.	.	365.3	C21H14Cl2N2	17.8	420	6.3	25	0	1	3	InChI=1S/C21H14Cl2N2/c22-16-11-12-18(19(23)13-16)20-14-25(17-9-5-2-6-10-17)21(24-20)15-7-3-1-4-8-15/h1-14H	C1=CC=C(C=C1)C2=NC(=CN2C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl	NLRQMPIVZYANHK-UHFFFAOYSA-N
DG67088	"4-Amino-8-chloro-2-(4-methoxyphenyl)iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile"	45029232	CHEMBL2297524; NSC745677; NSC-745677	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745677	.	.	.	.	381.8	C18H12ClN5OS	112	718	4	26	1	5	2	"InChI=1S/C18H12ClN5OS/c1-25-12-5-3-11(4-6-12)22-17-13(9-20)16(21)24-14-7-2-10(19)8-15(14)26-18(24)23-17/h2-8H,21H2,1H3"	COC1=CC=C(C=C1)N=C2C(=C(N3C4=C(C=C(C=C4)Cl)SC3=N2)N)C#N	ZVGIPJJSLKLCQY-UHFFFAOYSA-N
DG67089	"4-Amino-8-chloro-2-(4-chlorophenyl)iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile"	45029233	CHEMBL2297522; NSC745678; NSC-745678	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745678	.	.	.	.	386.3	C17H9Cl2N5S	103	701	4.7	25	1	4	1	"InChI=1S/C17H9Cl2N5S/c18-9-1-4-11(5-2-9)22-16-12(8-20)15(21)24-13-6-3-10(19)7-14(13)25-17(24)23-16/h1-7H,21H2"	C1=CC(=CC=C1N=C2C(=C(N3C4=C(C=C(C=C4)Cl)SC3=N2)N)C#N)Cl	DDGMOAQBVIKFSU-UHFFFAOYSA-N
DG67090	"3-Cyano-8-chloro-4-imino-2-methyl thio pyrimido[2,1-b]benzothiazole"	45029244	"CHEMBL2297523; BDBM50488884; NSC745689; NSC-745689; 3-Cyano-8-chloro-4-imino-2-methyl thio pyrimido[2,1-b]benzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745689	.	.	.	.	306.8	C12H7ClN4S2	114	547	3	19	1	5	1	"InChI=1S/C12H7ClN4S2/c1-18-11-7(5-14)10(15)17-8-3-2-6(13)4-9(8)19-12(17)16-11/h2-4,15H,1H3"	CSC1=C(C(=N)N2C3=C(C=C(C=C3)Cl)SC2=N1)C#N	DBXRPBBLKKNERM-UHFFFAOYSA-N
DG67091	"methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate"	45029263	NSC745939; NSC-745939	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745939	.	.	.	.	388.2	C19H15Cl2N3O2	66.5	489	6	26	2	4	6	"InChI=1S/C19H15Cl2N3O2/c1-26-19(25)13-10-17(12-6-3-2-4-7-12)23-18(13)24-22-11-14-15(20)8-5-9-16(14)21/h2-11,23-24H,1H3/b22-11+"	COC(=O)C1=C(NC(=C1)C2=CC=CC=C2)N/N=C/C3=C(C=CC=C3Cl)Cl	LBQYMYYMDKAZPF-SSDVNMTOSA-N
DG67092	"methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-3-carboxylate"	45029264	NSC745940; NSC-745940	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745940	.	.	.	.	478.3	C22H21Cl2N3O5	94.2	619	5.9	32	2	7	9	"InChI=1S/C22H21Cl2N3O5/c1-29-18-8-12(9-19(30-2)20(18)31-3)17-10-13(22(28)32-4)21(26-17)27-25-11-14-15(23)6-5-7-16(14)24/h5-11,26-27H,1-4H3/b25-11+"	COC1=CC(=CC(=C1OC)OC)C2=CC(=C(N2)N/N=C/C3=C(C=CC=C3Cl)Cl)C(=O)OC	ILKOFSMUTKQSAL-OPEKNORGSA-N
DG67093	NSC745943	45029265	"[3-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,5R,6aS,6bR,10S,12aR)-10-[3-acetamido-6-[[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-[(2E,6S)-6-[3,4-dihydroxy-5-[(2E)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-6-methyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate; NSC745943; NSC-745943"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745943	.	.	.	.	2083.3	C98H155NO46	732	4490	-3.9	145	25	46	38	"InChI=1S/C98H155NO46/c1-16-93(11,127)26-18-20-45(34-101)81(125)139-75-41(4)132-87(73(122)69(75)118)145-94(12,17-2)27-19-21-44(33-100)80(124)137-57-32-98(90(126)144-89-79(68(117)62(111)50(36-103)135-89)143-86-74(123)77(141-85-72(121)66(115)61(110)49(35-102)133-85)76(42(5)131-86)140-84-71(120)63(112)51(37-104)134-84)47(30-91(57,7)8)46-22-23-54-95(13)28-25-56(92(9,10)53(95)24-29-96(54,14)97(46,15)31-55(98)107)138-82-58(99-43(6)105)65(114)64(113)52(136-82)39-129-88-78(67(116)59(108)40(3)130-88)142-83-70(119)60(109)48(106)38-128-83/h16-17,20-22,40-42,47-79,82-89,100-104,106-123,127H,1-2,18-19,23-39H2,3-15H3,(H,99,105)/b44-21+,45-20+/t40 ,41 ,42 ,47 ,48 ,49 ,50 ,51 ,52 ,53 ,54 ,55-,56+,57+,58 ,59 ,60 ,61 ,62 ,63 ,64 ,65 ,66 ,67 ,68 ,69 ,70 ,71 ,72 ,73 ,74 ,75 ,76 ,77 ,78 ,79 ,82 ,83 ,84 ,85 ,86 ,87 ,88 ,89 ,93 ,94-,95+,96-,97-,98-/m1/s1"	CC1C(C(C(C(O1)OCC2C(C(C(C(O2)O[C@H]3CC[C@]4(C(C3(C)C)CC[C@@]5(C4CC=C6[C@]5(C[C@H]([C@@]7(C6CC([C@H](C7)OC(=O)/C(=C/CC[C@@](C)(C=C)OC8C(C(C(C(O8)C)OC(=O)/C(=C/CCC(C)(C=C)O)/CO)O)O)/CO)(C)C)C(=O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)C)OC1C(C(C(O1)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)C)NC(=O)C)O)O)OC1C(C(C(CO1)O)O)O)O)O	HKEDBKXRDHFCFB-YERWJWFHSA-N
DG67094	"2-Benzylthio-4-chloro-N-[imino(3,5-trimethylpyrazol-1-yl)methyl]-5-methylbenzenesulfonamide"	45029269	"NSC745957; NSC-745957; 2-Benzylthio-4-chloro-N-[imino(3,5-trimethylpyrazol-1-yl)methyl]-5-methylbenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745957	.	.	.	.	463	C21H23ClN4O2S2	124	708	5.1	30	1	5	6	"InChI=1S/C21H23ClN4O2S2/c1-13-10-20(19(11-18(13)22)29-12-17-8-6-5-7-9-17)30(27,28)25-21(23)26-16(4)14(2)15(3)24-26/h5-11H,12H2,1-4H3,(H2,23,25)"	CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)/N=C(\\N)/N3C(=C(C(=N3)C)C)C	GCLSBGNOYYNFDZ-UHFFFAOYSA-N
DG67095	5-Iodo-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide	45029271	CHEMBL1796403; NSC745962; NSC-745962; 5-iodo-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745962	.	.	.	.	392.19	C16H13IN2O2	72.2	405	3.3	21	2	2	4	"InChI=1S/C16H13IN2O2/c17-12-7-8-14(13(10-12)16(18)21)19-15(20)9-6-11-4-2-1-3-5-11/h1-10H,(H2,18,21)(H,19,20)/b9-6+"	C1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=C(C=C2)I)C(=O)N	XTLFIHQBWVSBQT-RMKNXTFCSA-N
DG67096	NSC746032	45029287	"(11aS)-7-methoxy-8-[3-(2-methoxy-4-(E)-3-oxo-3-[4-(3,5-trimethoxybenzoyl)piperazino]-1-propenylphenoxy)propoxy]-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one; CHEMBL1240647; NSC746032; NSC-746032; (11aS)-7-methoxy-8-[3-(2-methoxy-4-(E)-3-oxo-3-[4-(3,5-trimethoxybenzoyl)piperazino]-1-propenylphenoxy)propoxy]-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746032	.	.	.	.	742.8	C40H46N4O10	138	1300	3.8	54	0	11	14	"InChI=1S/C40H46N4O10/c1-48-32-20-26(10-12-37(45)42-14-16-43(17-15-42)39(46)27-21-35(50-3)38(52-5)36(22-27)51-4)9-11-31(32)53-18-7-19-54-34-24-30-29(23-33(34)49-2)40(47)44-13-6-8-28(44)25-41-30/h9-12,20-25,28H,6-8,13-19H2,1-5H3/b12-10+/t28-/m0/s1"	COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC)OC	PJJRQEJQCFPFNT-LNMUWQJVSA-N
DG67097	"2-4-[(5-2,4,5-Trimethoxyphenyl)-4,5-dihydro-3-isoxazolyl]phenoxypentyl)oxy]-3-methoxyphenyl-1,2,3,4-tetrahydro-4-quinazolinone"	45029290	"CHEMBL1668710; SCHEMBL13581713; NSC746035; NSC-746035; 2-4-[(5-2,4,5-trimethoxyphenyl)-4,5-dihydro-3-isoxazolyl]phenoxypentyl)oxy]-3-methoxyphenyl-1,2,3,4-tetrahydro-4-quinazolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746035	.	.	.	.	727.8	C40H45N3O10	137	1140	6.5	53	2	12	17	"InChI=1S/C40H45N3O10/c1-45-32-18-24(39-41-28-13-9-8-12-27(28)40(44)42-39)14-15-30(32)51-16-10-7-11-17-52-38-35(48-4)19-25(20-36(38)49-5)29-23-31(53-43-29)26-21-33(46-2)37(50-6)34(22-26)47-3/h8-9,12-15,18-22,31,39,41H,7,10-11,16-17,23H2,1-6H3,(H,42,44)"	COC1=CC(=CC(=C1OC)OC)C2CC(=NO2)C3=CC(=C(C(=C3)OC)OCCCCCOC4=C(C=C(C=C4)C5NC6=CC=CC=C6C(=O)N5)OC)OC	CUOBQICXGNMRDP-UHFFFAOYSA-N
DG67098	N-[(E)-(4-chlorophenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide	45029300	CHEMBL595429; NSC746060; NSC-746060	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746060	.	.	.	.	486.8	C21H13ClF6N4O	66.4	681	6.6	33	2	10	5	"InChI=1S/C21H13ClF6N4O/c22-14-6-4-12(5-7-14)11-29-32-19(33)16-8-9-17(21(26,27)28)31-18(16)30-15-3-1-2-13(10-15)20(23,24)25/h1-11H,(H,30,31)(H,32,33)/b29-11+"	C1=CC(=CC(=C1)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N/N=C/C3=CC=C(C=C3)Cl)C(F)(F)F	YZYOKRIVDBHSFB-VPUKRXIYSA-N
DG67099	"N-[(E)-(2,6-dichlorophenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide"	45029301	CHEMBL595426; NSC746061; NSC-746061	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746061	.	.	.	.	521.2	C21H12Cl2F6N4O	66.4	712	7.2	34	2	10	5	"InChI=1S/C21H12Cl2F6N4O/c22-15-5-2-6-16(23)14(15)10-30-33-19(34)13-7-8-17(21(27,28)29)32-18(13)31-12-4-1-3-11(9-12)20(24,25)26/h1-10H,(H,31,32)(H,33,34)/b30-10+"	C1=CC(=CC(=C1)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N/N=C/C3=C(C=CC=C3Cl)Cl)C(F)(F)F	WGQLIYPOKPCGPV-WXMAUWIXSA-N
DG67100	"6-(3-Hydroxy-4-methoxyphenyl)-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile"	45029303	NSC746063; NSC-746063	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746063	.	.	.	.	477.5	C26H27N3O6	106	698	3.5	35	1	9	7	"InChI=1S/C26H27N3O6/c1-31-22-6-5-16(11-21(22)30)20-14-18(17-12-23(32-2)25(34-4)24(13-17)33-3)19(15-27)26(28-20)29-7-9-35-10-8-29/h5-6,11-14,30H,7-10H2,1-4H3"	COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C(C(=C3)OC)OC)OC)C#N)N4CCOCC4)O	HFMTUGGWNRIMFE-UHFFFAOYSA-N
DG67101	"[5-(3-Methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone"	45029306	NSC746068; NSC-746068	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746068	.	.	.	.	476.5	C27H28N2O6	78.8	711	4.2	35	0	7	8	"InChI=1S/C27H28N2O6/c1-31-20-11-9-17(10-12-20)23-16-22(18-7-6-8-21(13-18)32-2)28-29(23)27(30)19-14-24(33-3)26(35-5)25(15-19)34-4/h6-15,23H,16H2,1-5H3"	COC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC(=CC=C4)OC	OVKHNTPJMKEIAV-UHFFFAOYSA-N
DG67102	"1-(7-Fluoro-3-methyl-quinoxalin-2-yl)-3-(3,5-trimethoxy-phenyl)-propenone"	45029310	"NSC746087; NSC-746087; 1-(7-Fluoro-3-methyl-quinoxalin-2-yl)-3-(3,5-trimethoxy-phenyl)-propenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746087	.	.	.	.	382.4	C21H19FN2O4	70.5	547	3.7	28	0	7	6	"InChI=1S/C21H19FN2O4/c1-12-20(24-16-11-14(22)6-7-15(16)23-12)17(25)8-5-13-9-18(26-2)21(28-4)19(10-13)27-3/h5-11H,1-4H3/b8-5+"	CC1=C(N=C2C=C(C=CC2=N1)F)C(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC	LJERGNRAKGRFBU-VMPITWQZSA-N
DG67103	"4-[5-(3,5-dihydropyrazol-1-yl]-N-carbamoylbenzenesulfonamide"	45029311	"NSC746098; NSC-746098; 4-[5-(3,5-dihydropyrazol-1-yl]-N-carbamoylbenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746098	.	.	.	.	548.4	C19H13F9N4O3S	113	929	4.4	36	2	14	4	"InChI=1S/C19H13F9N4O3S/c20-17(21,22)10-5-9(6-11(7-10)18(23,24)25)14-8-15(19(26,27)28)30-32(14)12-1-3-13(4-2-12)36(34,35)31-16(29)33/h1-7,14H,8H2,(H3,29,31,33)"	C1C(N(N=C1C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)NC(=O)N)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F	VRHDSMAPPIMGKO-UHFFFAOYSA-N
DG67104	"(E,2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-4-(furan-2-yl)but-3-enoic acid"	45029314	NSC746134; NSC-746134	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746134	.	.	.	.	373.8	C17H12ClN3O3S	116	523	5.2	25	2	7	6	"InChI=1S/C17H12ClN3O3S/c18-12-5-3-11(4-6-12)15-10-25-17(19-15)21-20-14(16(22)23)8-7-13-2-1-9-24-13/h1-10H,(H,19,21)(H,22,23)/b8-7+,20-14-"	C1=COC(=C1)/C=C/C(=N/NC2=NC(=CS2)C3=CC=C(C=C3)Cl)/C(=O)O	JUIOKADOFQGSPV-REDRJSMASA-N
DG67105	"N,N'-bis(4-bromo-2-fluorobenzoyl)-L-selenocystine bis(4-methoxyphenacyl) ester hemihydrate"	45029327	"CHEMBL4060364; NSC746149; NSC-746149; N,N'-bis(4-bromo-2-fluorobenzoyl)-L-selenocystine bis(4-methoxyphenacyl) ester hemihydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746149	.	.	.	.	1032.4	C38H32Br2F2N2O10Se2	163	1240	.	56	2	12	21	"InChI=1S/C38H32Br2F2N2O10Se2/c1-51-25-9-3-21(4-10-25)33(45)17-53-37(49)31(43-35(47)27-13-7-23(39)15-29(27)41)19-55-56-20-32(44-36(48)28-14-8-24(40)16-30(28)42)38(50)54-18-34(46)22-5-11-26(52-2)12-6-22/h3-16,31-32H,17-20H2,1-2H3,(H,43,47)(H,44,48)/t31-,32-/m0/s1"	COC1=CC=C(C=C1)C(=O)COC(=O)[C@H](C[Se][Se]C[C@@H](C(=O)OCC(=O)C2=CC=C(C=C2)OC)NC(=O)C3=C(C=C(C=C3)Br)F)NC(=O)C4=C(C=C(C=C4)Br)F	XMWMSWMZCQBTET-ACHIHNKUSA-N
DG67106	"2-(2-Chlorophenyl)-3-[5-(1,2,4-triazol-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazolidin-4-one"	45029357	NSC746513; NSC-746513	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746513	.	.	.	.	362.8	C14H11ClN6O2S	115	469	1.3	24	0	7	4	"InChI=1S/C14H11ClN6O2S/c15-10-4-2-1-3-9(10)13-21(12(22)6-24-13)14-19-18-11(23-14)5-20-7-16-17-8-20/h1-4,7-8,13H,5-6H2"	C1C(=O)N(C(S1)C2=CC=CC=C2Cl)C3=NN=C(O3)CN4C=NN=C4	YXGDFKBSAOSCJC-UHFFFAOYSA-N
DG67107	"7-{[2-(dimethylamino)ethyl]amino}-5-imino-1,6-triphenyl-5,6-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dithione"	45029397	"CHEMBL2440360; BDBM50493840; NSC746683; NSC-746683; 7-{[2-(dimethylamino)ethyl]amino}-5-imino-1,6-triphenyl-5,6-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dithione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746683	.	.	.	.	525.7	C28H27N7S2	128	954	4.5	37	1	5	6	"InChI=1S/C28H27N7S2/c1-32(2)19-18-30-27-31-25-23(24(29)33(27)20-12-6-3-7-13-20)26(36)35(22-16-10-5-11-17-22)28(37)34(25)21-14-8-4-9-15-21/h3-17H,18-19,29H2,1-2H3"	CN(C)CCN=C1N=C2C(=C(N1C3=CC=CC=C3)N)C(=S)N(C(=S)N2C4=CC=CC=C4)C5=CC=CC=C5	RXAIWAWRKCHFOA-UHFFFAOYSA-N
DG67108	"7-{[3-(dibutylamino)propyl]amino}-5-imino-1,6-triphenyl-5,6-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dithione"	45029398	"CHEMBL2443293; NSC746684; NSC-746684; 7-{[3-(dibutylamino)propyl]amino}-5-imino-1,6-triphenyl-5,6-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dithione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746684	.	.	.	.	623.9	C35H41N7S2	128	1060	7.4	44	1	5	13	"InChI=1S/C35H41N7S2/c1-3-5-24-39(25-6-4-2)26-16-23-37-34-38-32-30(31(36)40(34)27-17-10-7-11-18-27)33(43)42(29-21-14-9-15-22-29)35(44)41(32)28-19-12-8-13-20-28/h7-15,17-22H,3-6,16,23-26,36H2,1-2H3"	CCCCN(CCCC)CCCN=C1N=C2C(=C(N1C3=CC=CC=C3)N)C(=S)N(C(=S)N2C4=CC=CC=C4)C5=CC=CC=C5	IGBCYCNBGRBOKC-UHFFFAOYSA-N
DG67109	(2E)-3-(2-phenyl-1H-indol-3-yl)-2-(phenylsulfonyl)acrylonitrile	45029399	CHEMBL3617154; NSC746687; NSC-746687; J3.519.599H; 2-(Phenylsulfonyl)-3-(2-phenyl-1H-indole-3-yl)acrylonitrile; (2E)-3-(2-phenyl-1H-indol-3-yl)-2-(phenylsulfonyl)acrylonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746687	.	.	.	.	384.5	C23H16N2O2S	82.1	717	4.9	28	1	3	4	"InChI=1S/C23H16N2O2S/c24-16-19(28(26,27)18-11-5-2-6-12-18)15-21-20-13-7-8-14-22(20)25-23(21)17-9-3-1-4-10-17/h1-15,25H/b19-15+"	C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)/C=C(\\C#N)/S(=O)(=O)C4=CC=CC=C4	KXJCSTMYCGMREV-XDJHFCHBSA-N
DG67110	Methyl (2E)-2-(methylsulfonyl)-3-(2-phenyl-1H-indol-3-yl)acrylate	45029402	CHEMBL3617166; NSC746692; NSC-746692; Methyl (2E)-2-(methylsulfonyl)-3-(2-phenyl-1H-indol-3-yl)acrylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746692	.	.	.	.	355.4	C19H17NO4S	84.6	616	3.4	25	1	4	5	"InChI=1S/C19H17NO4S/c1-24-19(21)17(25(2,22)23)12-15-14-10-6-7-11-16(14)20-18(15)13-8-4-3-5-9-13/h3-12,20H,1-2H3/b17-12+"	COC(=O)/C(=C\\C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)/S(=O)(=O)C	OTUWOKNFQNEEBU-SFQUDFHCSA-N
DG67111	Methyl (2E)-3-(2-methyl-1H-indol-3-yl)-2-(phenylsulfonyl)acrylate	45029404	CHEMBL3617142; NSC746694; NSC-746694; Methyl (2E)-3-(2-methyl-1H-indol-3-yl)-2-(phenylsulfonyl)acrylate; (E)-3-(2-Methyl-1H-indole-3-yl)-2-(phenylsulfonyl)acrylic acid methyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746694	.	.	.	.	355.4	C19H17NO4S	84.6	616	3.7	25	1	4	5	"InChI=1S/C19H17NO4S/c1-13-16(15-10-6-7-11-17(15)20-13)12-18(19(21)24-2)25(22,23)14-8-4-3-5-9-14/h3-12,20H,1-2H3/b18-12+"	CC1=C(C2=CC=CC=C2N1)/C=C(\\C(=O)OC)/S(=O)(=O)C3=CC=CC=C3	OBAIWMSXUQQVAB-LDADJPATSA-N
DG67112	N-(4-Chlorophenyl)-N-({[2-(4-chlorophenyl)ethyl]amino]carbonothioyl)benzamide	45029410	NSC746701; NSC-746701; N-(4-Chlorophenyl)-N-({[2-(4-chlorophenyl)ethyl]amino]carbonothioyl)benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746701	.	.	.	.	429.4	C22H18Cl2N2OS	64.4	511	6.9	28	1	2	5	"InChI=1S/C22H18Cl2N2OS/c23-18-8-6-16(7-9-18)14-15-25-22(28)26(20-12-10-19(24)11-13-20)21(27)17-4-2-1-3-5-17/h1-13H,14-15H2,(H,25,28)"	C1=CC=C(C=C1)C(=O)N(C2=CC=C(C=C2)Cl)C(=S)NCCC3=CC=C(C=C3)Cl	PEOKEDZNFXQOMN-UHFFFAOYSA-N
DG67113	Desmethylbrefeldin A	45029415	Desmethylbrefeldin A; SCHEMBL4545221; CHEMBL2402342; NSC746708; NSC-746708	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746708	.	.	.	.	266.33	C15H22O4	66.8	361	1.6	19	2	4	0	"InChI=1S/C15H22O4/c16-12-9-11-5-3-1-2-4-8-19-15(18)7-6-14(17)13(11)10-12/h3,5-7,11-14,16-17H,1-2,4,8-10H2/b5-3+,7-6+/t11-,12+,13-,14-/m1/s1"	C1CCOC(=O)/C=C/[C@H]([C@@H]2C[C@H](C[C@H]2/C=C/C1)O)O	PDQKHANYIFONPI-BHTHFWORSA-N
DG67114	"3-[(Z)-(3-benzyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide"	45029420	CHEMBL2298717; NSC746754; NSC-746754	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746754	.	.	.	.	487.6	C25H21N5O2S2	145	907	4.3	34	1	6	5	"InChI=1S/C25H21N5O2S2/c1-15-20-23(34-21(15)22(26)31)27-16(2)30(24(20)32)28-25-29(13-17-9-5-3-6-10-17)19(14-33-25)18-11-7-4-8-12-18/h3-12,14H,13H2,1-2H3,(H2,26,31)/b28-25-"	CC1=C(SC2=C1C(=O)N(C(=N2)C)/N=C\\3/N(C(=CS3)C4=CC=CC=C4)CC5=CC=CC=C5)C(=O)N	KZVARHNNGCOEGO-FVDSYPCUSA-N
DG67115	"4,10,12-Triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2,4,6,8,11-pentaene"	45029436	NSC746803; NSC-746803	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746803	.	.	.	.	387.4	C25H17N5	46.3	617	5.1	30	0	4	3	InChI=1S/C25H17N5/c1-4-10-18(11-5-1)21-16-22-24(27-21)26-17-23-29(22)25(19-12-6-2-7-13-19)28-30(23)20-14-8-3-9-15-20/h1-17H	C1=CC=C(C=C1)C2=NC3=NC=C4N(N=C(N4C3=C2)C5=CC=CC=C5)C6=CC=CC=C6	UJUGDZLKPDORTG-UHFFFAOYSA-N
DG67116	NSC746807	45029440	"N-[2-(1H-imidazol-5-yl)ethyl]-4-(10-oxo-14-phenyl-8-thia-11,12,13,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,14-hexaen-16-yl)butanamide; CHEMBL2402314; NSC746807; NSC-746807"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746807	.	.	.	.	497.6	C26H23N7O2S	137	796	4.1	36	2	7	8	"InChI=1S/C26H23N7O2S/c34-21(28-13-12-18-15-27-16-29-18)11-6-14-32-23-19-9-4-5-10-20(19)36-24(23)26(35)33-25(32)22(30-31-33)17-7-2-1-3-8-17/h1-5,7-10,15-16H,6,11-14H2,(H,27,29)(H,28,34)"	C1=CC=C(C=C1)C2=C3N(C4=C(C(=O)N3N=N2)SC5=CC=CC=C54)CCCC(=O)NCCC6=CN=CN6	HTOXOOTVEVUPLA-UHFFFAOYSA-N
DG67117	NSC746809	45029442	"N-[2-(1H-imidazol-5-yl)ethyl]-4-(8-oxo-5-phenyl-10-thia-2,3,4,7-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),3,5,11,13,15-hexaen-7-yl)butanamide; CHEMBL2348309; NSC746809; NSC-746809"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746809	.	.	.	.	497.6	C26H23N7O2S	137	796	3.5	36	2	6	8	"InChI=1S/C26H23N7O2S/c34-21(28-13-12-18-15-27-16-29-18)11-6-14-32-25-22(17-7-2-1-3-8-17)30-31-33(25)23-19-9-4-5-10-20(19)36-24(23)26(32)35/h1-5,7-10,15-16H,6,11-14H2,(H,27,29)(H,28,34)"	C1=CC=C(C=C1)C2=C3N(C(=O)C4=C(N3N=N2)C5=CC=CC=C5S4)CCCC(=O)NCCC6=CN=CN6	HNIQIFJOXBLFKR-UHFFFAOYSA-N
DG67118	NSC746840	45029453	"[(1S,3R,5R,8E,13S,14R,15R)-5,9,13-trimethyl-17-oxo-18-(phenylsulfanylmethyl)-4,16-dioxatricyclo[13.3.0.03,5]octadec-8-en-14-yl] acetate; NSC746840; NSC-746840"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746840	.	.	.	.	486.7	C28H38O5S	90.4	760	5.8	34	0	6	5	"InChI=1S/C28H38O5S/c1-18-10-8-12-19(2)25(31-20(3)29)26-22(16-24-28(4,33-24)15-9-11-18)23(27(30)32-26)17-34-21-13-6-5-7-14-21/h5-7,11,13-14,19,22-26H,8-10,12,15-17H2,1-4H3/b18-11+/t19-,22-,23 ,24+,25+,26+,28+/m0/s1"	C[C@H]1CCC/C(=C/CC[C@@]2([C@H](O2)C[C@@H]3[C@H]([C@@H]1OC(=O)C)OC(=O)C3CSC4=CC=CC=C4)C)/C	ZZZGBNIZPJLASR-NFNCYGQMSA-N
DG67119	"(4'RS)-7',2',4',9'-tetrahydro-9'-methyl-1'-oxo-spiro[piperdine-4,3'-1'H-pyrido[3,4-b]indole]-4'-carbonitrile"	45029455	"CHEMBL1945557; NSC746886; NSC-746886; (4'RS)-7',2',4',9'-tetrahydro-9'-methyl-1'-oxo-spiro[piperdine-4,3'-1'H-pyrido[3,4-b]indole]-4'-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746886	.	.	.	.	391.3	C19H20Cl2N4O	61.1	626	3.1	26	1	3	1	"InChI=1S/C19H20Cl2N4O/c1-3-25-8-6-19(7-9-25)12(10-22)14-11-4-5-13(20)15(21)16(11)24(2)17(14)18(26)23-19/h4-5,12H,3,6-9H2,1-2H3,(H,23,26)"	CCN1CCC2(CC1)C(C3=C(C(=O)N2)N(C4=C3C=CC(=C4Cl)Cl)C)C#N	AFDBGHRXCSHKMT-UHFFFAOYSA-N
DG67120	"(3EZ)-3-[3,7-dichloro-1,3-dihydro-2H-indol-2-one"	45029459	"NSC746890; NSC-746890; (3EZ)-3-[3,7-dichloro-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746890	.	.	.	.	426.1	C17H7Cl2F6NO	29.1	598	5.9	27	1	7	1	"InChI=1S/C17H7Cl2F6NO/c18-12-2-1-10-11(15(27)26-14(10)13(12)19)5-7-3-8(16(20,21)22)6-9(4-7)17(23,24)25/h1-6H,(H,26,27)/b11-5+"	C1=CC(=C(C2=C1/C(=C\\C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)/C(=O)N2)Cl)Cl	WOUHHDSUCGPNJQ-VZUCSPMQSA-N
DG67121	"N,N'-[2-(Propylamino)-1,3,5-triazine-4,6-diyl]bis(N-methylhydroxylamine)"	45029482	"NSC746928; NSC-746928; N,N'-[2-(Propylamino)-1,3,5-triazine-4,6-diyl]bis(N-methylhydroxylamine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746928	.	.	.	.	228.25	C8H16N6O2	97.6	191	1.1	16	3	8	5	"InChI=1S/C8H16N6O2/c1-4-5-9-6-10-7(13(2)15)12-8(11-6)14(3)16/h15-16H,4-5H2,1-3H3,(H,9,10,11,12)"	CCCNC1=NC(=NC(=N1)N(C)O)N(C)O	AEWJTONYWGPPAK-UHFFFAOYSA-N
DG67122	"Methyl 2-[[4,6-bis[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]amino]acetate"	45029484	NSC746930; NSC-746930	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746930	.	.	.	.	258.24	C8H14N6O4	124	264	0.1	18	3	10	6	"InChI=1S/C8H14N6O4/c1-13(16)7-10-6(9-4-5(15)18-3)11-8(12-7)14(2)17/h16-17H,4H2,1-3H3,(H,9,10,11,12)"	CN(C1=NC(=NC(=N1)NCC(=O)OC)N(C)O)O	KAUQRWOUOJGTFF-UHFFFAOYSA-N
DG67123	NSC746931	45029485	"N-[4-[2-[2-[[4,6-bis[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl-propylamino]-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine; NSC746931; NSC-746931"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746931	.	.	.	.	532.7	C17H32N12O4S2	237	561	1.9	35	5	18	15	"InChI=1S/C17H32N12O4S2/c1-6-8-29(17-23-15(27(4)32)22-16(24-17)28(5)33)9-11-35-34-10-7-18-12-19-13(25(2)30)21-14(20-12)26(3)31/h30-33H,6-11H2,1-5H3,(H,18,19,20,21)"	CCCN(CCSSCCNC1=NC(=NC(=N1)N(C)O)N(C)O)C2=NC(=NC(=N2)N(C)O)N(C)O	GNZMMBRUORJHAZ-UHFFFAOYSA-N
DG67124	"6-Bromo-alpha-(diheptylaminomethyl)-9-phenanthrenemethanol hydrochloride, (+/-)-"	45049470	"NSC-13307; 23257-53-6; GNF-Pf-2607; NIH-1577 hydrochloride; SN-13465 hydrochloride; WR-33063 hydrochloride; CHEMBL599928; DTXSID30662296; NSC13307; 9-Phenanthrenemethanol, hydrochloride; AKOS024430747; MCULE-5643013537; 3-BROMO-10-(2-DIHEPTYLAMINO-1-HYDROXYETHYL)PHENANTHRENE; 1-(6-Bromophenanthren-9-yl)-2-(diheptylamino)ethan-1-ol--hydrogen chloride (1/1); 6-Bromo-alpha-(diheptylaminomethyl)-9-phenanthrenemethanol hydrochloride, (+/-)-; 9-Phenanthrenemethanol, 6-bromo-alpha-((diheptylamino)methyl)-, hydrochloride (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13307	.	.	.	.	549	C30H43BrClNO	23.5	500	.	34	2	2	15	"InChI=1S/C30H42BrNO.ClH/c1-3-5-7-9-13-19-32(20-14-10-8-6-4-2)23-30(33)29-21-24-15-11-12-16-26(24)28-22-25(31)17-18-27(28)29;/h11-12,15-18,21-22,30,33H,3-10,13-14,19-20,23H2,1-2H3;1H"	CCCCCCCN(CCCCCCC)CC(C1=CC2=CC=CC=C2C3=C1C=CC(=C3)Br)O.Cl	RMHGTXQFHHYEST-UHFFFAOYSA-N
DG67125	"3-(4-Fluorophenyl)-8,5-dihydropyrano[3,2-c]chromen-5-yl acetate"	45113107	"NSC747825; NSC-747825; 3-(4-fluorophenyl)-8,5-dihydropyrano[3,2-c]chromen-5-yl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747825	.	.	.	.	380.4	C22H17FO5	61.8	718	4	28	0	6	3	"InChI=1S/C22H17FO5/c1-11-8-17-19(9-12(11)2)27-22(26-13(3)24)18-10-16(21(25)28-20(17)18)14-4-6-15(23)7-5-14/h4-10,22H,1-3H3"	CC1=CC2=C(C=C1C)OC(C3=C2OC(=O)C(=C3)C4=CC=C(C=C4)F)OC(=O)C	KIXMBJTVRFRWOF-UHFFFAOYSA-N
DG67126	MK-8033	45142457	"MK-8033; 1001917-37-8; 3-(1-Methyl-1H-pyrazol-4-yl)-5-oxo-N-(2-pyridinylmethyl)-5H-benzo[4,5]cyclohepta[1,2-b]pyridine-7-methanesulfonamide; UNII-350H6PBQ5Q; MK8033; 350H6PBQ5Q; CHEMBL2323775; 1-(3-(1-Methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo(4,5)cyclohepta(1,2-b)pyridin-7-yl)-N-(pyridin-2-ylmethyl)methanesulfonamide; 1-(3-(1-Methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl)-N-(pyridin-2-ylmethyl)methanesulfonamide; 1-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide; MK 8033; SCHEMBL400306; QCR-58; DTXSID00143002; BCP21388; BQB91737; EX-A2612; 3861AH; BDBM50427138; NSC761692; NSC800797; ZINC68203670; AKOS022185323; CS-0560; NSC-761692; NSC-800797; SB16934; NCGC00378567-01; NCGC00378567-02; 1-[2-(1-methylpyrazol-4-yl)-11-oxobenzo[1,2]cyclohepta[2,4-b]pyridin-9-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide; 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine-7-methanesulfonamide, 3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-N-(2-pyridinylmethyl)-; HY-13299; A925504; Q27256405; 1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761692	.	.	.	.	471.5	C25H21N5O3S	115	859	2.1	34	1	7	6	"InChI=1S/C25H21N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h2-13,15,29H,14,16H2,1H3"	CN1C=C(C=N1)C2=CC3=C(C=CC4=C(C3=O)C=C(C=C4)CS(=O)(=O)NCC5=CC=CC=N5)N=C2	VMJFTOSOFDEKTM-UHFFFAOYSA-N
DG67127	1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide	45210433	CHEMBL607308; MMV666110; NSC766532; MCULE-4512812293; NSC-766532; SJ000217121	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766532	.	.	.	.	411.6	C26H41N3O	35.6	526	5.1	30	1	3	9	"InChI=1S/C26H41N3O/c1-21(2)9-10-22(3)28-19-14-25(15-20-28)29-17-12-24(13-18-29)26(30)27-16-11-23-7-5-4-6-8-23/h4-8,22,24-25H,1,9-20H2,2-3H3,(H,27,30)"	CC(CCC(=C)C)N1CCC(CC1)N2CCC(CC2)C(=O)NCCC3=CC=CC=C3	YOPKSOBTIYZVAH-UHFFFAOYSA-N
DG67128	NSC752779	45256728	3-[2-[3-(4-Tert-butylphenoxy)phenyl]-1-[3-(2-methylpiperidin-1-yl)propyl]benzimidazol-5-yl]-3-[(2-methylphenyl)carbamoylamino]propanamide; LLW15; SCHEMBL13433385; NSC752779; NSC-752779	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752779	.	.	.	.	700.9	C43H52N6O3	115	1140	7.7	52	3	5	13	"InChI=1S/C43H52N6O3/c1-29-12-6-7-16-36(29)46-42(51)47-37(28-40(44)50)31-17-22-39-38(27-31)45-41(49(39)25-11-24-48-23-9-8-13-30(48)2)32-14-10-15-35(26-32)52-34-20-18-33(19-21-34)43(3,4)5/h6-7,10,12,14-22,26-27,30,37H,8-9,11,13,23-25,28H2,1-5H3,(H2,44,50)(H2,46,47,51)"	CC1CCCCN1CCCN2C3=C(C=C(C=C3)C(CC(=O)N)NC(=O)NC4=CC=CC=C4C)N=C2C5=CC(=CC=C5)OC6=CC=C(C=C6)C(C)(C)C	TVFIPRJABJXUAJ-UHFFFAOYSA-N
DG67129	Lisavanbulin	45259014	"Lisavanbulin; BAL101553; BAL-101553; UNII-5PT0QP06X5; 5PT0QP06X5; 1263384-43-5; Lisavanbulin [INN]; Lisavanbulin [USAN]; Lisavanbulin (USAN/INN); Lisavanbulin [USAN:INN]; SCHEMBL1160313; CHEMBL4297595; EX-A4306; NSC764608; NSC789724; WHO 10401; BAL 101553; DB15224; NSC-764608; NSC-789724; MICROTUBULE-TARGETED AGENT BAL101553; D11494; Q27262705; (2S)-2,6-Diamino-N-(4-(2-(2-(4-((2-cyanoethyl)amino)-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl)acetyl)phenyl)hexanamide; Hexanamide, 2,6-diamino-N-(4-(2-(2-(4-((2-cyanoethyl)amino)-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl)acetyl)phenyl)-, (2S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764608	.	.	.	.	515.6	C26H29N9O3	191	828	1.5	38	4	10	13	"InChI=1S/C26H29N9O3/c27-13-4-3-6-19(29)26(37)31-18-11-9-17(10-12-18)22(36)16-35-21-8-2-1-7-20(21)32-25(35)23-24(34-38-33-23)30-15-5-14-28/h1-2,7-12,19H,3-6,13,15-16,27,29H2,(H,30,34)(H,31,37)/t19-/m0/s1"	C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)NC(=O)[C@H](CCCCN)N)C4=NON=C4NCCC#N	NIPZLALJRAHABJ-IBGZPJMESA-N
DG67130	Ametan-trone hydrochloride	45261553	"ametan-trone hydrochloride; CHEMBL545046; NSC290813; NSC-290813; 9, 1,4-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	290813	.	.	.	.	448.9	C22H29ClN4O4	123	513	.	31	7	8	12	"InChI=1S/C22H28N4O4.ClH/c27-13-11-23-7-9-25-17-5-6-18(26-10-8-24-12-14-28)20-19(17)21(29)15-3-1-2-4-16(15)22(20)30;/h1-6,23-28H,7-14H2;1H"	C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNCCO)NCCNCCO.Cl	LVBWWAWEJJHBBG-UHFFFAOYSA-N
DG67132	"(E/Z)-6,7-Dichloro-3-(3,5-dibromo-4-hydroxybenzylidene)-indolin-2-one"	45486324	"CHEMBL569449; BDBM50303770; NSC748498; NSC-748498; (E/Z)-6,7-Dichloro-3-(3,5-dibromo-4-hydroxybenzylidene)-indolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748498	.	.	.	.	463.9	C15H7Br2Cl2NO2	49.3	478	5.2	22	2	2	1	"InChI=1S/C15H7Br2Cl2NO2/c16-9-4-6(5-10(17)14(9)21)3-8-7-1-2-11(18)12(19)13(7)20-15(8)22/h1-5,21H,(H,20,22)/b8-3-"	C1=CC(=C(C2=C1/C(=C/C3=CC(=C(C(=C3)Br)O)Br)/C(=O)N2)Cl)Cl	XXEUCGGVUVJTEB-BAQGIRSFSA-N
DG67133	"1S, perchlorate"	45489959	"1S, perchlorate; CHEMBL2005102; NSC678345; NSC-678345"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678345	.	.	.	.	433.9	C22H24ClNO6	112	650	.	30	2	7	2	"InChI=1S/C22H23NO2.ClHO4/c1-23-11-10-22(17-8-5-9-18(24)13-17)14-20(23)19(21(25)15-22)12-16-6-3-2-4-7-16;2-1(3,4)5/h2-9,12-13,20,24H,10-11,14-15H2,1H3;(H,2,3,4,5)/b19-12+;/t20-,22+;/m1./s1"	CN1CC[C@@]2(C[C@@H]1/C(=C\\C3=CC=CC=C3)/C(=O)C2)C4=CC(=CC=C4)O.OCl(=O)(=O)=O	SCFMWKWWDWLGMY-QCXVAGDHSA-N
DG67134	"1R,4-Dichlorobenzylidene)-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one, hydrobromide"	45489960	"CHEMBL2007488; NSC678346; NSC-678346; 1R,4-Dichlorobenzylidene)-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one, hydrobromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678346	.	.	.	.	483.2	C22H22BrCl2NO2	40.5	609	.	28	2	3	2	"InChI=1S/C22H21Cl2NO2.BrH/c1-25-8-7-22(15-3-2-4-16(26)11-15)12-20(25)17(21(27)13-22)9-14-5-6-18(23)19(24)10-14;/h2-6,9-11,20,26H,7-8,12-13H2,1H3;1H/b17-9+;/t20-,22+;/m0./s1"	CN1CC[C@]2(C[C@H]1/C(=C\\C3=CC(=C(C=C3)Cl)Cl)/C(=O)C2)C4=CC(=CC=C4)O.Br	FMEWFJXMDBEOSS-SFDONHHISA-N
DG67135	"1S,4-Dichlorobenzylidene)-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one, hydrobromide"	45489961	"CHEMBL1965077; NSC678347; NSC-678347; 1S,4-Dichlorobenzylidene)-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one, hydrobromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678347	.	.	.	.	483.2	C22H22BrCl2NO2	40.5	609	.	28	2	3	2	"InChI=1S/C22H21Cl2NO2.BrH/c1-25-8-7-22(15-3-2-4-16(26)11-15)12-20(25)17(21(27)13-22)9-14-5-6-18(23)19(24)10-14;/h2-6,9-11,20,26H,7-8,12-13H2,1H3;1H/b17-9+;/t20-,22+;/m1./s1"	CN1CC[C@@]2(C[C@@H]1/C(=C\\C3=CC(=C(C=C3)Cl)Cl)/C(=O)C2)C4=CC(=CC=C4)O.Br	FMEWFJXMDBEOSS-ISNCNZHLSA-N
DG67136	NSC772885	46174270	"2-Amino-4-(4-chloro-2-(2-(4-fluoro-1H-pyrazol-1-yl)ethoxy)-6-methylphenyl)-N-(2,2-difluoropropyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxamide; 1207961-33-8; PF-494284; 2-Amino-4-(4-chloro-2-(2-(4-fluoro-1H-pyrazol-1-yl)ethoxy)-6-methylphenyl)-N-(2,2-difluoropropyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxamide; CHEMBL1774933; 2-amino-4-[4-chloro-2-[2-(4-fluoropyrazol-1-yl)ethoxy]-6-methylphenyl]-N-(2,2-difluoropropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide; 2-AMino-4-{4-chloro-2-[2-(4-fluoropyrazol-1-yl)ethoxy]-6-Methylphenyl}-5,7-dihydropyrrolo[3,4-d]pyri; SCHEMBL1935868; DTXSID30673009; BDBM50343353; NSC772885; ZINC68250876; NSC-772885; PF 494284; PF 04942847; 2-amino-4-{4-chloro-2-[2-(4-fluoro-1h-pyrazol-1-yl)ethoxy]-6-methylphenyl}-n-(2,2-difluoropropyl)-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidine-6-carboxamide; 2-Amino-4-{4-chloro-2-[2-(4-fluoropyrazol-1-yl)ethoxy]-6-methylphenyl}-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic Acid(2,2-Difluoropropyl)amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772885	.	.	.	.	509.9	C22H23ClF3N7O2	111	741	2.3	35	2	9	7	"InChI=1S/C22H23ClF3N7O2/c1-12-5-13(23)6-17(35-4-3-33-8-14(24)7-29-33)18(12)19-15-9-32(10-16(15)30-20(27)31-19)21(34)28-11-22(2,25)26/h5-8H,3-4,9-11H2,1-2H3,(H,28,34)(H2,27,30,31)"	CC1=CC(=CC(=C1C2=NC(=NC3=C2CN(C3)C(=O)NCC(C)(F)F)N)OCCN4C=C(C=N4)F)Cl	IRGGXYIIIARJBD-UHFFFAOYSA-N
DG67137	"N-(2-Chlorophenyl)-6-(4-piperidinyl)imidazo[1,2-a]pyridine-3-carboxamide"	46175113	"1198408-39-7; N-(2-Chlorophenyl)-6-(4-piperidinyl)imidazo[1,2-a]pyridine-3-carboxamide; N-(2-chlorophenyl)-6-piperidin-4-ylimidazo[1,2-a]pyridine-3-carboxamide; CHEMBL1077739; SCHEMBL2877577; CHEMBL1198514; BDBM50311316; MFCD24539338; NSC751644; ZINC48998306; NSC-751644; NCGC00402290-01; NCGC00402290-03; DA-47371; FT-0700113; J-690059; N-(2-chlorophenyl)-6-(piperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide, oxalate salt; N-[(5,6-Dimethoxy-2-pyridinyl)methyl]-5'-methyl-5-(1,3-thiazol-2-yl)-2,3'-bipyridine-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751644	.	.	.	.	354.8	C19H19ClN4O	58.4	470	3.7	25	2	3	3	"InChI=1S/C19H19ClN4O/c20-15-3-1-2-4-16(15)23-19(25)17-11-22-18-6-5-14(12-24(17)18)13-7-9-21-10-8-13/h1-6,11-13,21H,7-10H2,(H,23,25)"	C1CNCCC1C2=CN3C(=NC=C3C(=O)NC4=CC=CC=C4Cl)C=C2	DGSMEFWSLXFLQA-UHFFFAOYSA-N
DG67138	"1,3-Bis(naphthalen-2-ylmethyl)imidazol-1-ium"	46185647	CHEMBL1229032; NSC788911; NSC-788911; 1215070-19-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788911	.	.	.	.	349.4	C25H21N2+	8.8	435	5.8	27	0	0	4	"InChI=1S/C25H21N2/c1-3-7-24-15-20(9-11-22(24)5-1)17-26-13-14-27(19-26)18-21-10-12-23-6-2-4-8-25(23)16-21/h1-16,19H,17-18H2/q+1"	C1=CC=C2C=C(C=CC2=C1)CN3C=C[N+](=C3)CC4=CC5=CC=CC=C5C=C4	MRYKHZPXQWUCDY-UHFFFAOYSA-N
DG67140	"(2S)-2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide"	46189839	"ARRY-520 R-Enantiomer; (2S)-2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide; SCHEMBL368044; NSC772254; NSC772255; NSC-772254; NSC-772255; FT-0700396; A862161; (S)-2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3(2H)-carboxamide; 2-(3-aminopropyl)-5-(2,5-difluorophenyl)-n-methoxy-n-methyl-2-phenyl-1,3,4-thiadiazole-3(2h)-carboxamide; 2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772254	.	.	.	.	420.5	C20H22F2N4O2S	96.5	605	3.3	29	1	7	6	"InChI=1S/C20H22F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13H,6,11-12,23H2,1-2H3"	CN(C(=O)N1C(SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC	LLXISKGBWFTGEI-UHFFFAOYSA-N
DG67141	"N-(6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)-3-methylbutanamide"	46191454	"PHA-793887; 718630-59-2; 3-Methyl-N-[1,4,5,6-tetrahydro-6,6-dimethyl-5-[(1-methyl-4-piperidinyl)carbonyl]pyrrolo[3,4-c]pyrazol-3-yl]butanamide; N-(6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)-3-methylbutanamide; UNII-MKS45S912B; PHA 793887; MKS45S912B; CHEMBL1230607; 718630-59-2 (free base); PHA793887; N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-methylbutanamide; C19H31N5O2; N-(6,6-Dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4,5,6-tetrahydropyrrolo(3,4-C)pyrazol-3-yl)-3-methylbutanamide; N-{6,6-Dimethyl-5-[(1-methylpiperidin-4-yl)carbonyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-3-methylbutanamide; MLS006010173; SCHEMBL5110328; CHEBI:91371; DTXSID50222134; BCPP000110; HMS3265M13; HMS3265M14; HMS3265N13; HMS3265N14; HMS3654B16; AOB87190; BCP02036; EX-A2134; BDBM50378657; NSC800851; ZINC52509437; AKOS015995002; CCG-264898; DB12686; NSC-800851; QC-8186; SB19463; NCGC00263168-01; NCGC00263168-04; NCGC00263168-06; AC-32848; AS-19371; Butanamide, 3-methyl-N-(1,4,5,6-tetrahydro-6,6-dimethyl-5-((1-methyl-4-piperidinyl)carbonyl)pyrrolo(3,4-C)pyrazol-3-yl)-; HY-11001; SMR004701281; DB-074487; FT-0660374; S1487; SW220252-1; X7380; J3.661.625C; C76289; J-512917; BRD-K64800655-001-01-7; Q27163237"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800851	.	.	.	.	361.5	C19H31N5O2	81.3	542	1	26	2	4	4	"InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)"	CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C	HUXYBQXJVXOMKX-UHFFFAOYSA-N
DG67142	"4-Methoxy-2,3,5-triazine"	46191705	"4-methoxy-2,3,5-triazine; NSC749909; NSC-749909"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749909	.	.	.	.	201.18	C6H11N5O3	94.8	167	0.2	14	2	8	3	"InChI=1S/C6H11N5O3/c1-10(12)4-7-5(11(2)13)9-6(8-4)14-3/h12-13H,1-3H3"	CN(C1=NC(=NC(=N1)OC)N(C)O)O	HQAHWTQLPXNUQZ-UHFFFAOYSA-N
DG67143	1-Methyl-3-octadecylimidazolium bis(trifluoromethylsulfonyl)imide	46191760	1-Methyl-3-octadecylimidazolium bis(trifluoromethylsulfonyl)imide; 404001-51-0; NSC-747271; bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octadecylimidazol-1-ium; 3-METHYL-1-OCTADECYLIMIDAZOLIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE; CHEMBL595010; MFCD08458943; NSC747271; 1-octadecyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747271	.	.	.	.	615.7	C24H43F6N3O4S2	94.8	628	.	39	0	11	19	"InChI=1S/C22H43N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21-20-23(2)22-24;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h20-22H,3-19H2,1-2H3;/q+1;-1"	CCCCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F	DMEDSJKEUMLSKF-UHFFFAOYSA-N
DG67144	1-Methyl-3-octadecylimidazolium tris(pentafluoroethyl)trifluorophosphate	46191761	NSC-747272; 1-Methyl-3-octadecylimidazolium tris(pentafluoroethyl)trifluorophosphate; CHEMBL593914; NSC747272	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747272	.	.	.	.	780.6	C28H43F18N2P	8.8	723	.	49	0	19	20	"InChI=1S/C22H43N2.C6F18P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21-20-23(2)22-24;7-1(8,9)4(16,17)25(22,23,24,5(18,19)2(10,11)12)6(20,21)3(13,14)15/h20-22H,3-19H2,1-2H3;/q+1;-1"	CCCCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.C(C(F)(F)[P-](C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)(F)F)(F)(F)F	MWCBXOFCMFFOQR-UHFFFAOYSA-N
DG67145	Isopropyl diethylcarbamo(dithioperoxo)thioate	46197112	Isopropyl diethylcarbamo(dithioperoxo)thioate; SCHEMBL2238949; CHEMBL1097570; NSC749795; NSC-749795; Isopropyl(diethylthiocarbamoyl) persulfide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749795	.	.	.	.	223.4	C8H17NS3	85.9	132	2.8	12	0	3	5	"InChI=1S/C8H17NS3/c1-5-9(6-2)8(10)12-11-7(3)4/h7H,5-6H2,1-4H3"	CCN(CC)C(=S)SSC(C)C	VYORQLUXGQBXDY-UHFFFAOYSA-N
DG67146	Cyclohexyl diethylcarbamo(dithioperoxo)thioate	46197114	Cyclohexyl diethylcarbamo(dithioperoxo)thioate; 42267-48-1; SCHEMBL2238598; CHEMBL1099261; NSC749794; NSC-749794	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749794	.	.	.	.	263.5	C11H21NS3	85.9	186	3.8	15	0	3	5	"InChI=1S/C11H21NS3/c1-3-12(4-2)11(13)15-14-10-8-6-5-7-9-10/h10H,3-9H2,1-2H3"	CCN(CC)C(=S)SSC1CCCCC1	HPWDEMOJNYTTFK-UHFFFAOYSA-N
DG67147	Ilorasertib	46207586	"ILORASERTIB; ABT-348; 1227939-82-3; UNII-6L5D03D975; ABT 348; ABT348; A-968660.0; 6L5D03D975; 1-[4-[4-amino-7-[1-(2-hydroxyethyl)pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea; 1-(4-(4-amino-7-(1-(2-hydroxyethyl)-1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl)phenyl)-3-(3-fluorophenyl)urea; A-968660; Abbott-969660; Ilorasertib [USAN:INN]; 1-(4-(4-amino-7-(1-(2-hydroxyethyl)-1H-pyrazol-4-yl)thieno(3,2-c)pyridin-3-yl)phenyl)-3-(3-fluorophenyl)urea; Ilorasertib (USAN); Kinome_405; GTPL9914; SCHEMBL3381224; ABBOTT-968660; CHEMBL1980297; ABT-348ABT-348; DTXSID10153718; BCP07256; BDBM50381716; NSC765889; ZINC63298074; CS-6804; DB11694; NSC-765889; SB16853; HY-16018; D10423; E77316; US8722890, 1; US8722890, 2; A905680; Q27265085; N-(4-{4-amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-N'-(3-fluorophenyl)urea; Urea, N-(4-(4-amino-7-(1-(2-hydroxyethyl)-1H-pyrazol-4-yl)thieno(3,2-c)pyridin-3-yl)phenyl)-N'-(3-fluorophenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765889	.	.	.	.	488.5	C25H21FN6O2S	146	713	3	35	4	7	6	"InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)"	C1=CC(=CC(=C1)F)NC(=O)NC2=CC=C(C=C2)C3=CSC4=C3C(=NC=C4C5=CN(N=C5)CCO)N	WPHKIQPVPYJNAX-UHFFFAOYSA-N
DG67149	Tegatrabetan	46212391	"Tegatrabetan; Tegavivint; 1227637-23-1; BC2059; UNII-18AP231HUP; 18AP231HUP; CHEMBL3601411; BC-2059; N-[3,6-bis[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl]-10-nitrosoanthracen-9-yl]hydroxylamine; Tegavivint [INN]; SCHEMBL14947676; BDBM50108103; NSC785527; NSC-785527; BS-14778; HY-109103; CS-0039507; A14381; D71173; 2,7-Bis[((3R,5S)-3,5-dimethylpiperidine-1-yl)sulfonyl]anthracene-9,10-dione dioxime; rel-2,7-Bis(((3R,5S)-3,5-dimethylpiperidin-1-yl)sulfonyl)anthracene-9,10-dione dioxime; 9,10-Anthracenedione, 2,7-bis(((3R,5S)-3,5-dimethyl-1-piperidinyl)sulfonyl)-, 9,10-dioxime, rel-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785527	.	.	.	.	588.7	C28H36N4O6S2	153	1020	5	40	2	10	5	"InChI=1S/C28H36N4O6S2/c1-17-9-18(2)14-31(13-17)39(35,36)21-5-7-23-25(11-21)28(30-34)26-12-22(6-8-24(26)27(23)29-33)40(37,38)32-15-19(3)10-20(4)16-32/h5-8,11-12,17-20,29,33H,9-10,13-16H2,1-4H3/t17-,18+,19-,20+"	C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=C4C=CC(=CC4=C3N=O)S(=O)(=O)N5C[C@@H](C[C@@H](C5)C)C)NO)C	OMWCXCBGEFHCTN-FGYAAKKASA-N
DG67151	Bemcentinib	46215462	"Bemcentinib; 1037624-75-1; R428; BGB324; BGB-324; R-428; UNII-0ICW2LX8AS; 0ICW2LX8AS; CHEMBL3809489; SYN1131; (S)-1-(6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-c]pyridazin-3-yl)-N3-(7-(pyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1H-1,2,4-triazole-3,5-diamine; CS-1046; HY-15150; QC-11751; R 428; Bemcentinib [USAN]; Bemcentinib (R428); Bemcentinib intermediate; Bemcentinib (USAN/INN); W-5845; BemcentinibR428BGB324); SCHEMBL1639904; GTPL10478; BGB 324; DTXSID70673109; AMY16774; BCP21180; C30H34N8; EX-A1720; SYN-1131; BDBM50172079; NSC824183; s2841; WHO 10631; ZINC51951669; AKOS032947237; R428 (BGB324); ACN-037541; DB12411; NSC-824183; NCGC00386665-07; 1-(6,7-Dihydro-5H-benzo[6,7]cyclohepta[1,2-c]pyridazin-3-yl)-N~3~-[(7S)-7-(pyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-1H-1,2,4-triazole-3,5-diamine; 1H-1,2,4-Triazole-3,5-diamine, 1-(6,7-dihydro-5H-benzo(6,7)cyclohepta(1,2-C)pyridazin-3-yl)-N3-((7S)-6,7,8,9-tetrahydro-7-(1-pyrrolidinyl)-5H-benzocyclohepten-2-yl)-; AC-28444; AS-16270; KB-80319; D11438; A856079; Q27236818; BGB324; BGB-324; BGB 324; R 428; R-428; Bemcentinib; 1-(3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-3-N-[(7S)-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine; 1-(6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-c]pyridazin-3-yl)-N3-(7-(S)-(pyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-yl)-1H-1,2,4-triazole-3,5-diamine; 1-(6,7-Dihydro-5H-benzo[6,7]cyclohepta[1,2-c]pyridazin-3-yl)-N3-[(7S)-6,7,8,9-tetrahydro-7-(1-pyrrolidinyl)-5H-benzocyclohepten-2-yl]-1H-1,2,4-triazole-3,5-diamine;BGB324 ; BGB-324 ; BGB 324;R428 (BGB324; Bemcentinib)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	824183	.	.	.	.	506.6	C30H34N8	97.8	775	5.5	38	2	7	4	"InChI=1S/C30H34N8/c31-29-33-30(32-24-13-10-20-11-14-25(15-12-22(20)18-24)37-16-3-4-17-37)36-38(29)27-19-23-8-5-7-21-6-1-2-9-26(21)28(23)35-34-27/h1-2,6,9-10,13,18-19,25H,3-5,7-8,11-12,14-17H2,(H3,31,32,33,36)/t25-/m0/s1"	C1CCN(C1)[C@H]2CCC3=C(CC2)C=C(C=C3)NC4=NN(C(=N4)N)C5=NN=C6C(=C5)CCCC7=CC=CC=C76	KXMZDGSRSGHMMK-VWLOTQADSA-N
DG67152	"(3S,6R)-1-[6-(3-Amino-1H-indazol-6-yl)-2-(methylamino)-4-pyrimidinyl]-N-cyclohexyl-6-methyl-3-piperidinecarboxamide"	46215815	"GSK2334470; 1227911-45-6; GSK 2334470; GSK-2334470; UNII-QB5BF4GJ87; QB5BF4GJ87; CHEMBL1765740; (3S,6R)-1-[6-(3-Amino-1H-indazol-6-yl)-2-(methylamino)-4-pyrimidinyl]-N-cyclohexyl-6-methyl-3-piperidinecarboxamide; (3S,6R)-1-(6-(3-amino-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl)-N-cyclohexyl-6-methylpiperidine-3-carboxamide; (3S,6R)-1-[6-(3-amino-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl]-N-cyclohexyl-6-methylpiperidine-3-carboxamide; 3-Piperidinecarboxamide, 1-[6-(3-amino-1H-indazol-6-yl)-2-(methylamino)-4-pyrimidinyl]-N-cyclohexyl-6-methyl-, (3S,6R)-; (3S,6R)-1-(6-(3-Amino-1H-indazol-6-yl)-2-(methylamino)-4-pyrimidinyl)-N-cyclohexyl-6-methyl-3-piperidinecarboxamide; 3-Piperidinecarboxamide, 1-(6-(3-amino-1H-indazol-6-yl)-2-(methylamino)-4-pyrimidinyl)-N-cyclohexyl-6-methyl-, (3S,6R)-; MLS006011255; GTPL8008; SCHEMBL1317022; PDK1 inhibitor GS2334470; C25H34N8O; CHEBI:91465; AOB6843; DTXSID40673111; EX-A1544; 2445AH; BDBM50341243; NSC759658; s7087; ZINC68203217; AKOS024458000; CCG-269373; CS-0917; NSC-759658; QC-8425; AC-32824; AS-16973; HY-14981; SMR004703010; SW219485-1; C71892; GSK 2334470;GSK-2334470; GSK2334470, >=98% (HPLC); J-004855; BRD-K70642949-001-01-1; Q27077885"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759658	.	.	.	.	462.6	C25H34N8O	125	688	3.9	34	4	7	5	"InChI=1S/C25H34N8O/c1-15-8-9-17(24(34)28-18-6-4-3-5-7-18)14-33(15)22-13-20(29-25(27-2)30-22)16-10-11-19-21(12-16)31-32-23(19)26/h10-13,15,17-18H,3-9,14H2,1-2H3,(H,28,34)(H3,26,31,32)(H,27,29,30)/t15-,17+/m1/s1"	C[C@@H]1CC[C@@H](CN1C2=NC(=NC(=C2)C3=CC4=C(C=C3)C(=NN4)N)NC)C(=O)NC5CCCCC5	QLPHOXTXAKOFMU-WBVHZDCISA-N
DG67154	Nirogacestat	46224413	"Nirogacestat; PF-03084014; 1290543-63-3; PF-3084014; 865773-15-5; PF 3084014; UNII-QZ62892OFJ; PF 03084014; PF3084014; QZ62892OFJ; (2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide; (S)-2-(((S)-6,8-Difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino)-N-(1-(2-methyl-1-(neopentylamino)propan-2-yl)-1H-imidazol-4-yl)pentanamide; PF-03084014 (PF-3084014); (S)-2-((S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-ylamino)-N-(1-(2-methyl-1-(neopentylamino)propan-2-yl)-1H-imidazol-4-yl)pentanamide; Nirogacestat [USAN]; Nirogacestat (USAN/INN); Z-3181; GTPL7746; CHEMBL1770916; SCHEMBL13184754; DTXSID60235679; EX-A855; PF-3084014 (y-secratase); HMS3886P21; BDBM50458159; MFCD19980705; NSC754348; s8018; ZINC38217837; AKOS030526383; CCG-269609; CS-1689; DB12005; NSC-754348; NCGC00378713-01; 2-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-3-ylamino)-N-(1-(2-methyl-1-(neopentylamino)propan-2-yl)-1H-imidazol-4-yl)pentanamide; AS-56178; HY-15185; pf-03084014-pf-3084014; A11993; D10960; F17429; A910640; Nirogacestat (PF-03084014, PF-3084014); Q27088329; PF-03084014;PF-3084014;865773-15-5;; (2S)-2-{[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino}-N-(1-{1-[(2,2-dimethylpropyl)amino]-2-methylpropan-2-yl}-1H-imidazol-4-yl)pentanamide; Pentanamide, 2-((6,8-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl)amino)-N-(1-(2-((2,2-dimethylpropyl)amino)-1,1-dimethylethyl)-1H-imidazol-4-yl)-, (2S)-; Pentanamide, 2-[(6,8-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl)amino]-N-[1-[2-[(2,2-dimethylpropyl)amino]-1,1-dimethylethyl]-1H-imidazol-4-yl]-, (2S)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754348	.	.	.	.	489.6	C27H41F2N5O	71	685	4.8	35	3	6	11	"InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1"	CCC[C@@H](C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C)N[C@H]2CCC3=C(C2)C(=CC(=C3)F)F	VFCRKLWBYMDAED-REWPJTCUSA-N
DG67155	2-Cyclohexyl-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine	46224516	"UNC0638; 1255580-76-7; UNC-0638; UNC 0638; 2-Cyclohexyl-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine; UNII-26A103L2FO; 1255517-77-1; 2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine; CHEMBL1231795; 26A103L2FO; UNC06381; 2-Cyclohexyl-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamine; 2-cyclohexyl-6-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-4-amine; 2-Cyclohexyl-N-(1-isopropyl-4-piperidinyl)-6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamine; 4-Quinazolinamine, 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-; 2-Cyclohexyl-6-Methoxy-N-[1-(1-Methylethyl)piperidin-4-Yl]-7-(3-Pyrrolidin-1-Ylpropoxy)quinazolin-4-Amine; MLS006010242; GTPL7015; SCHEMBL14844528; CHEBI:95074; AOB1616; DTXSID30154787; C30H47N5O2; HMS3426M09; HMS3743O07; BCP06142; EX-A2205; 4142AH; BDBM50353128; NSC764517; s8071; ZINC58638344; AKOS024458105; CCG-208706; CS-2035; NSC-764517; SB19045; NCGC00189220-01; NCGC00189220-03; NCGC00189220-05; AC-32711; AS-74910; HY-15273; SMR004701318; C72005; A920192; J-509244; Q27089086; 2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amin"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764517	.	.	.	.	509.7	C30H47N5O2	62.8	660	6.3	37	1	7	10	"InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)"	CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5	QOECJCJVIMVJGX-UHFFFAOYSA-N
DG67156	"2-(5-chloro-2-methylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide"	46227829	CHEMBL596548; NSC747199; NSC-747199	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747199	.	.	.	.	501.7	C21H14Cl3F3N4O	66.4	659	7.4	32	2	7	5	"InChI=1S/C21H14Cl3F3N4O/c1-11-5-6-12(22)9-17(11)29-19-13(7-8-18(30-19)21(25,26)27)20(32)31-28-10-14-15(23)3-2-4-16(14)24/h2-10H,1H3,(H,29,30)(H,31,32)/b28-10+"	CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N/N=C/C3=C(C=CC=C3Cl)Cl	WNRVYWQARUSYHJ-ORBVJSQLSA-N
DG67157	"N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide"	46227858	CHEMBL606918; NSC747455; NSC-747455	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747455	.	.	.	.	453.2	C20H13Cl2F3N4O	66.4	597	6.3	30	2	7	5	"InChI=1S/C20H13Cl2F3N4O/c21-16-7-2-8-17(22)15(16)11-27-29-19(30)14-6-3-9-26-18(14)28-13-5-1-4-12(10-13)20(23,24)25/h1-11H,(H,26,28)(H,29,30)/b27-11+"	C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)N/N=C/C3=C(C=CC=C3Cl)Cl)C(F)(F)F	YGMCVGSFACWOCM-LUOAPIJWSA-N
DG67158	2-(4-chloro-2-methylanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide	46227884	CHEMBL596119; NSC747198; NSC-747198	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747198	.	.	.	.	467.3	C21H15Cl2F3N4O	66.4	636	6.7	31	2	7	5	"InChI=1S/C21H15Cl2F3N4O/c1-12-10-14(22)6-8-17(12)28-19-15(7-9-18(29-19)21(24,25)26)20(31)30-27-11-13-4-2-3-5-16(13)23/h2-11H,1H3,(H,28,29)(H,30,31)/b27-11+"	CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N/N=C/C3=CC=CC=C3Cl	OULWNDFPGAKKHX-LUOAPIJWSA-N
DG67159	(4-Nitrophenyl) 4-[(3-phenoxyphenyl)methyl]piperazine-1-carboxylate	46232606	"JZL195; 1210004-12-8; JZL 195; JZL-195; (4-nitrophenyl) 4-[(3-phenoxyphenyl)methyl]piperazine-1-carboxylate; 4-nitrophenyl 4-(3-phenoxybenzyl)piperazine-1-carboxylate; CHEMBL606201; MLS006010728; GTPL8606; SCHEMBL19744767; EX-A635; BCP23894; JZL-195; JZL 195; 3756AH; BDBM50307083; MFCD18382122; NSC763527; s6609; ZINC49771282; AKOS024458308; CS-3374; NSC-763527; NCGC00346837-01; NCGC00346837-02; BS-14525; HY-15250; JZL195, >=98% (HPLC); SMR004701690; B7701; FT-0700116; A12390; J-004424; Q6109295; 4-nitrophenyl 4-[(3-phenoxyphenyl)methyl]piperazine-1-carboxylate; 4-[(3-Phenoxyphenyl)methyl]-1-piperazinecarboxylic acid 4-nitrophenyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763527	.	.	.	.	433.5	C24H23N3O5	87.8	605	4.3	32	0	6	6	"InChI=1S/C24H23N3O5/c28-24(32-22-11-9-20(10-12-22)27(29)30)26-15-13-25(14-16-26)18-19-5-4-8-23(17-19)31-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2"	C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]	QNYRAEKLMNDRFY-UHFFFAOYSA-N
DG67160	NSC767470	46235922	"2-[[5-[3-(Dimethylamino)propyl]-2-methylpyridin-3-yl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione; MLN0905; 1228960-69-7; PLK1 Inhibitor; MLN-0905; 2-[[5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione; 2-(5-(3-(DIMETHYLAMINO)PROPYL)-2-METHYLPYRIDIN-3-YLAMINO)-9-(TRIFLUOROMETHYL)-5H-BENZO[B]PYRIMIDO[4,5-D]AZEPINE-6(7H)-THIONE; 2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-9-(trifluoromethyl)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thione; MLN 0905; GTPL9402; SCHEMBL2255230; CHEMBL1945805; C24H25F3N6S; DTXSID30673165; BCP05348; EX-A2105; 2556AH; NSC767470; s2898; ZINC82157362; AKOS026750606; CCG-269593; CS-1081; NSC-767470; PB23134; QC-9272; compound 12c [PMID: 22070629]; NCGC00386384-04; AC-32846; DA-47020; HY-15155; FT-0726524; 2-((5-(3-(dimethylamino)propyl)-2-methylpyridin-3-yl)amino)-9-(trifluoromethyl)-5,7-dihydro-6H-benzo[b]pyrimido[4,5-d]azepine-6-thione; 2-({5-[3-(Dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-9-(trifluoromethyl)-5,7-dihydro-6H-pyrimido[5,4-d][1]-benzazepine-6-thione; 2-[[5-[3-(DIMETHYLAMINO)PROPYL]-2-METHYL-3-PYRIDINYL]AMINO]-5,7-DIHYDRO-9-(TRIFLUOROMETHYL)-6H-PYRIMIDO[5,4-D][1]BENZAZEPINE-6-THIONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767470	.	.	.	.	486.6	C24H25F3N6S	98.1	692	4.1	34	2	9	6	"InChI=1S/C24H25F3N6S/c1-14-19(9-15(12-28-14)5-4-8-33(2)3)31-23-29-13-16-10-21(34)30-20-11-17(24(25,26)27)6-7-18(20)22(16)32-23/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,30,34)(H,29,31,32)"	CC1=C(C=C(C=N1)CCCN(C)C)NC2=NC=C3CC(=S)NC4=C(C3=N2)C=CC(=C4)C(F)(F)F	CODBZFJPKJDNDT-UHFFFAOYSA-N
DG67161	Sabutoclax	46236925	"Sabutoclax; 1228108-65-3; BI-97C1; (1R)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-N5,N5'-bis[(2R)-2-phenylpropyl]-[2,2'-binaphthalene]-5,5'-dicarboxamide; 2,3,5-trihydroxy-7-methyl-N-[(2R)-2-phenylpropyl]-6-[1,6,7-trihydroxy-3-methyl-5-[[(2R)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide; UNII-39Y89ZRK34; GTPL7920; CHEMBL1094250; SCHEMBL18213906; BI 97C1; DTXSID20153724; 39Y89ZRK34; C42H40N2O8; 2697AH; BDBM50316672; NSC787780; s8061; ZINC49615740; CCG-270386; NSC-787780; HY-15191; CS-0003805; SW219228-1; Q27088680; (R)-1,1'',6,6'',7,7''-Hexahydroxy-3,3''-dimethyl-N5-((R)-2-phenylpropyl)-N5''-((R)-2-phenylpropyl)-2,2''-binaphthyl-5,5''-dicarboxamide; 1,1',6,6',7,7'-HEXAHYDROXY-3,3'-DIMETHYL-N5-((R)-2-PHENYLPROPYL)-N5'-((R)-2-PHENYLPROPYL)-2,2'-BINAPHTHYL-5,5'-DICARBOXAMIDE (ATROPISOMERIC MIX)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787780	.	.	.	.	700.8	C42H40N2O8	180	1100	8.9	52	8	8	9	"InChI=1S/C42H40N2O8/c1-21-15-27-29(17-31(45)39(49)35(27)41(51)43-19-23(3)25-11-7-5-8-12-25)37(47)33(21)34-22(2)16-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-20-24(4)26-13-9-6-10-14-26/h5-18,23-24,45-50H,19-20H2,1-4H3,(H,43,51)(H,44,52)/t23-,24-/m0/s1"	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6	RAYNZUHYMMLQQA-ZEQRLZLVSA-N
DG67162	NSC749377	46239449	"(R)-4-((1R,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl)-3-(hydroxymethyl)thiazolidin-2-one; CHEMBL1243115; NSC749377; NSC-749377; (R)-4-((1R,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl)-3-(hydroxymethyl)thiazolidin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749377	.	.	.	.	451.6	C23H33NO6S	122	750	3.8	31	2	7	2	"InChI=1S/C23H33NO6S/c1-16-7-5-3-4-6-8-17(2)11-21(26)29-19-12-18(10-9-16)30-23(28,13-19)20-14-31-22(27)24(20)15-25/h3-5,7,11,16,18-20,25,28H,6,8-10,12-15H2,1-2H3/b4-3+,7-5-,17-11-/t16-,18-,19-,20+,23-/m1/s1"	C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3CO)O)OC(=O)/C=C(\\CC/C=C/C=C1)/C	KPHFCEHLXFRNMH-PGZQALPFSA-N
DG67163	NSC751494	46239554	"(4R)-4-[(1R,4Z,8E,10Z,12S,15R,17R)-5,12-dimethyl-3-oxo-17-(2-phenylethoxy)-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one; CHEMBL1242929; NSC751494; NSC-751494"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751494	.	.	.	.	525.7	C30H39NO5S	99.2	864	6.2	37	1	6	5	"InChI=1S/C30H39NO5S/c1-22-10-6-3-4-7-11-23(2)18-28(32)35-26-19-25(15-14-22)36-30(20-26,27-21-37-29(33)31-27)34-17-16-24-12-8-5-9-13-24/h3-6,8-10,12-13,18,22,25-27H,7,11,14-17,19-21H2,1-2H3,(H,31,33)/b4-3+,10-6-,23-18-/t22-,25-,26-,27+,30-/m1/s1"	C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)OCCC4=CC=CC=C4)OC(=O)/C=C(\\CC/C=C/C=C1)/C	JSGUCQKJFWSGJD-MACQFCPGSA-N
DG67164	Prexasertib	46700756	"Prexasertib; LY2606368; 1234015-52-1; UNII-820NH671E6; LY-2606368; 5-[[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile; 820NH671E6; Prexasertib (LY2606368); 5-((5-(2-(3-aminopropoxy)-6-methoxyphenyl)-1H-pyrazol-3-yl)amino)pyrazine-2-carbonitrile; 5-({5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl}amino)pyrazine-2-carbonitrile; 5-(5-(2-(3-aminopropoxy)-6-methoxyphenyl)-1H-pyrazol-3-ylamino)pyrazine-2-carbonitrile; Prexasertib [USAN]; Prexasertib (USAN/INN); LY2606368;Prexasertib; GTPL9549; SCHEMBL1975451; CHEMBL3544911; SCHEMBL18989301; SCHEMBL19457660; EX-A758; LY2606368 mesylate monohydrate; AOB87325; BCP14380; BDBM50524300; MFCD25977016; NSC758257; NSC789570; ZINC95837013; DB12008; NSC-758257; NSC-789570; SB16662; NCGC00390643-02; HY-18174; QC-11802; DB-100131; FT-0700138; LY 2606368;LY-2606368;Prexasertib; J3.517.082K; D11206; J-690088; Q27269284; 5-(5-(2-(3-aminopropoxy)-6-methoxyphenyl)-1H-pyrazol-3-yl)amino)pyrazine-2- carbonitrile; Sodium (2-(3-fluorophenyl)-6-methoxy-4-oxo-1,4-dihydroquinolin-5-yl)phosphonate; 2-Pyrazinecarbonitrile, 5-((5-(2-(3-aminopropoxy)-6-methoxyphenyl)-1H-pyrazol-3-yl)amino)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758257	.	.	.	.	365.4	C18H19N7O2	135	499	1.4	27	3	8	8	"InChI=1S/C18H19N7O2/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25)"	COC1=C(C(=CC=C1)OCCCN)C2=CC(=NN2)NC3=NC=C(N=C3)C#N	DOTGPNHGTYJDEP-UHFFFAOYSA-N
DG67165	Hexyl diethylcarbamo(dithioperoxo)thioate	46700805	hexyl diethylcarbamo(dithioperoxo)thioate; SCHEMBL2234530; CHEMBL1097571; Diethylcarbamo(dithioperoxo)thioate; NSC749792; Hexyl(diethylthiocarbamoyl) persulfide; NSC-749792; 95210-79-0	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749792	.	.	.	.	265.5	C11H23NS3	85.9	158	4.4	15	0	3	9	"InChI=1S/C11H23NS3/c1-4-7-8-9-10-14-15-11(13)12(5-2)6-3/h4-10H2,1-3H3"	CCCCCCSSC(=S)N(CC)CC	JMAKJOJFVMKPEI-UHFFFAOYSA-N
DG67166	2-Hydroxyethyl Diethylcarbamo(dithioperoxo)thioate	46700806	2-Hydroxyethyl Diethylcarbamo(dithioperoxo)thioate; 58185-45-8; SCHEMBL2242418; CHEMBL1094278; NSC749793; NSC-749793	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749793	.	.	.	.	225.4	C7H15NOS3	106	128	1.4	12	1	4	6	"InChI=1S/C7H15NOS3/c1-3-8(4-2)7(10)12-11-6-5-9/h9H,3-6H2,1-2H3"	CCN(CC)C(=S)SSCCO	QKJKMJPGOUUWOR-UHFFFAOYSA-N
DG67167	Epertinib	46701811	"Epertinib; 908305-13-5; UNII-60OIK33ZQR; 60OIK33ZQR; N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(Z)-N-[[(3R)-morpholin-3-yl]methoxy]-C-prop-1-ynylcarbonimidoyl]quinazolin-4-amine; Epertinib [INN]; S-22611,Epertinib; SCHEMBL9973640; EX-A2701; NSC804521; NSC-804521; HY-107367; CS-0028218; S222611; S-222611; 2-Butyn-1-one, 1-(4-((3-chloro-4-((3-fluorophenyl)methoxy)phenyl)amino)-6-quinazolinyl)-, O-((3R)-3-morpholinylmethyl)oxime, (1Z)-; N-(3-Chloro-4-((3-fluorophenyl)methoxy)phenyl)- 6-((1Z)-N-(((3R)-morpholin-3-yl)methoxy)but- 2-ynimidoyl)quinazolin-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804521	.	.	.	.	560	C30H27ClFN5O3	89.9	899	6.1	40	2	9	10	"InChI=1S/C30H27ClFN5O3/c1-2-4-27(37-40-18-24-17-38-12-11-33-24)21-7-9-28-25(14-21)30(35-19-34-28)36-23-8-10-29(26(31)15-23)39-16-20-5-3-6-22(32)13-20/h3,5-10,13-15,19,24,33H,11-12,16-18H2,1H3,(H,34,35,36)/b37-27+/t24-/m1/s1"	CC#C/C(=N\\OC[C@H]1COCCN1)/C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	IBCIAMOTBDGBJN-NRLRZRKLSA-N
DG67168	"4-[3-(1,3-Diphenylpyrazol-4-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide"	46703499	CHEMBL1165470; NSC776800; NSC-776800	.	.	Investigative Drug(s)	Investigative	Small molecular drug	776800	.	.	.	.	533.6	C31H27N5O2S	102	939	5.6	39	1	6	6	"InChI=1S/C31H27N5O2S/c1-22-12-14-23(15-13-22)29-20-30(36(33-29)26-16-18-27(19-17-26)39(32,37)38)28-21-35(25-10-6-3-7-11-25)34-31(28)24-8-4-2-5-9-24/h2-19,21,30H,20H2,1H3,(H2,32,37,38)"	CC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)S(=O)(=O)N	LVVXZNFMTRKBQM-UHFFFAOYSA-N
DG67169	"3-Fluoro-1,2-phenylene bis(3-hydroxybenzoate)"	46830365	"WZB117; 1223397-11-2; 3-Fluoro-1,2-phenylene bis(3-hydroxybenzoate); WZB 117; WZB-117; CHEMBL3092944; [3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate; WBZ117; SCHEMBL19183300; AOB5670; BCP24665; EX-A1492; BDBM50444088; NSC750937; s7927; AKOS032945159; ZINC103244507; CCG-268262; NSC-750937; AC-32898; BS-14666; BW167833; HY-19331; WZB-117, >=98% (HPLC); CS-0015243; C71842; A900965; Bis(3-hydroxybenzoic acid)3-fluoro-1,2-phenylene ester; Benzoic acid, 3-hydroxy-, 1,1'-(3-fluoro-1,2-phenylene) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750937	.	.	.	.	368.3	C20H13FO6	93.1	527	4.1	27	2	7	6	"InChI=1S/C20H13FO6/c21-16-8-3-9-17(26-19(24)12-4-1-6-14(22)10-12)18(16)27-20(25)13-5-2-7-15(23)11-13/h1-11,22-23H"	C1=CC(=CC(=C1)O)C(=O)OC2=C(C(=CC=C2)F)OC(=O)C3=CC(=CC=C3)O	FRSWCCBXIHFKKY-UHFFFAOYSA-N
DG67170	"10-(4-Chlorophenyl)-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine"	46838535	CHEMBL1171337; NSC749650; NSC-749650	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749650	.	.	.	.	390.9	C21H19ClN6	102	591	3.5	28	3	6	1	"InChI=1S/C21H19ClN6/c22-13-8-5-12(6-9-13)16-15-10-7-11-3-1-2-4-14(11)17(15)25-18-19(23)27-21(24)28-20(18)26-16/h1-6,8-9,15-16H,7,10H2,(H5,23,24,26,27,28)"	C1CC2=CC=CC=C2C3=NC4=C(N=C(N=C4NC(C31)C5=CC=C(C=C5)Cl)N)N	MSMNHRUJBYREDU-UHFFFAOYSA-N
DG67171	"10-(4-Fluorophenyl)-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine"	46838670	CHEMBL1171521; NSC749651; NSC-749651	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749651	.	.	.	.	374.4	C21H19FN6	102	591	3	28	3	7	1	"InChI=1S/C21H19FN6/c22-13-8-5-12(6-9-13)16-15-10-7-11-3-1-2-4-14(11)17(15)25-18-19(23)27-21(24)28-20(18)26-16/h1-6,8-9,15-16H,7,10H2,(H5,23,24,26,27,28)"	C1CC2=CC=CC=C2C3=NC4=C(N=C(N=C4NC(C31)C5=CC=C(C=C5)F)N)N	DNVQIUSHIPXGAR-UHFFFAOYSA-N
DG67172	"10-Phenyl-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine"	46838672	CHEMBL1172083; NSC749652; NSC-749652	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749652	.	.	.	.	356.4	C21H20N6	102	559	2.9	27	3	6	1	"InChI=1S/C21H20N6/c22-19-18-20(27-21(23)26-19)25-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17(15)24-18/h1-9,15-16H,10-11H2,(H5,22,23,25,26,27)"	C1CC2=CC=CC=C2C3=NC4=C(N=C(N=C4NC(C31)C5=CC=CC=C5)N)N	AECMDTLIMQWHQN-UHFFFAOYSA-N
DG67175	Octanethio isosampangine	46854321	octylsulfanyl[ ]one; Octanethio isosampangine; NSC723388; NSC-723388	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723388	.	.	.	.	376.5	C23H24N2OS	68.2	549	6.4	27	0	4	8	"InChI=1S/C23H24N2OS/c1-2-3-4-5-6-9-14-27-20-15-19(26)22-21-17(12-13-24-23(20)21)16-10-7-8-11-18(16)25-22/h7-8,10-13,15H,2-6,9,14H2,1H3"	CCCCCCCCSC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4	QPRWVOZNAPWHKA-UHFFFAOYSA-N
DG67176	Ethylpropionatethio isosampangine	46854322	Ethylpropionatethio isosampangine; NSC723389; ethyl 3-(oxo[ ]yl)sulfanylpropanoate; NSC-723389	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723389	.	.	.	.	364.4	C20H16N2O3S	94.4	594	3.2	26	0	6	6	"InChI=1S/C20H16N2O3S/c1-2-25-17(24)8-10-26-16-11-15(23)19-18-13(7-9-21-20(16)18)12-5-3-4-6-14(12)22-19/h3-7,9,11H,2,8,10H2,1H3"	CCOC(=O)CCSC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4	MWELEOLPOPGYPR-UHFFFAOYSA-N
DG67177	t-Butyl-oxycarbonyl ethylene diaminoisosampangine	46854488	NSC723394; NSC-723394; t-Butyl-oxycarbonyl ethylene diaminoisosampangine; tert-butyl N-[2-[(oxo[ ]yl)amino]ethyl]carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723394	.	.	.	.	390.4	C22H22N4O3	93.2	672	3.2	29	2	6	6	"InChI=1S/C22H22N4O3/c1-22(2,3)29-21(28)25-11-10-23-16-12-17(27)20-18-14(8-9-24-19(16)18)13-6-4-5-7-15(13)26-20/h4-9,12,23H,10-11H2,1-3H3,(H,25,28)"	CC(C)(C)OC(=O)NCCNC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4	DWDBKAGCMXLHIL-UHFFFAOYSA-N
DG67178	NSC723392	46854489	"12-(2-Aminoethylamino)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one;2,2,2-trifluoroacetic acid; NSC723392; NSC-723392"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723392	.	.	.	.	404.3	C19H15F3N4O3	118	561	.	29	3	10	3	"InChI=1S/C17H14N4O.C2HF3O2/c18-6-8-19-13-9-14(22)17-15-11(5-7-20-16(13)15)10-3-1-2-4-12(10)21-17;3-2(4,5)1(6)7/h1-5,7,9,19H,6,8,18H2;(H,6,7)"	C1=CC=C2C(=C1)C3=C4C(=NC=C3)C(=CC(=O)C4=N2)NCCN.C(=O)(C(F)(F)F)O	HPWOKHWHRKMOHQ-UHFFFAOYSA-N
DG67179	Phenyl thiourea ethylene diamino isosampangine	46854492	NSC723396; NSC-723396; Phenyl thiourea ethylene diamino isosampangine; 1-[2-[(oxo[ ]yl)amino]ethyl]-3-phenyl-thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723396	.	.	.	.	425.5	C24H19N5OS	111	706	3.8	31	3	5	5	"InChI=1S/C24H19N5OS/c30-20-14-19(25-12-13-27-24(31)28-15-6-2-1-3-7-15)22-21-17(10-11-26-22)16-8-4-5-9-18(16)29-23(20)21/h1-11,14,25H,12-13H2,(H2,27,28,31)"	C1=CC=C(C=C1)NC(=S)NCCNC2=CC(=O)C3=NC4=CC=CC=C4C5=C3C2=NC=C5	YHTZRIOZBJKOIY-UHFFFAOYSA-N
DG67180	Pyrazine carboxyethylenediamino isosampangine	46854493	"NSC723390; NSC-723390; Pyrazine carboxyethylenediamino isosampangine; N-[2-[(oxo[ ]yl)amino]ethyl]pyrazine-2-carboxamide; 4-[2-(Pyrazine-2-ylcarbonylamino)ethylamino]-6H-pyrido[2,3,4-kl]acridine-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723390	.	.	.	.	396.4	C22H16N6O2	110	697	1.6	30	2	7	5	"InChI=1S/C22H16N6O2/c29-18-11-16(24-9-10-27-22(30)17-12-23-7-8-25-17)20-19-14(5-6-26-20)13-3-1-2-4-15(13)28-21(18)19/h1-8,11-12,24H,9-10H2,(H,27,30)"	C1=CC=C2C(=C1)C3=C4C(=NC=C3)C(=CC(=O)C4=N2)NCCNC(=O)C5=NC=CN=C5	RBQLBPUVAQKGLZ-UHFFFAOYSA-N
DG67181	Ethanolamino isosampangine	46854494	"Ethanolamino isosampangine; (2-hydroxyethylamino)[ ]one; NSC723393; NSC-723393; 4-(2-Hydroxyethylamino)-6H-pyrido[2,3,4-kl]acridine-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723393	.	.	.	.	291.3	C17H13N3O2	75.1	479	1.8	22	2	5	3	"InChI=1S/C17H13N3O2/c21-8-7-18-13-9-14(22)17-15-11(5-6-19-16(13)15)10-3-1-2-4-12(10)20-17/h1-6,9,18,21H,7-8H2"	C1=CC=C2C(=C1)C3=C4C(=NC=C3)C(=CC(=O)C4=N2)NCCO	KPUHYSXFTFZNEN-UHFFFAOYSA-N
DG67182	"9H-Furo[2,3-b]pyrido[4,3,2-mn]acridine-11-carboxylic acid, 9-oxo-, methyl ester"	46854647	"NSC718544; NSC-718544; 9H-Furo[2,3-b]pyrido[4,3,2-mn]acridine-11-carboxylic acid, 9-oxo-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718544	.	.	.	.	330.3	C19H10N2O4	82.3	582	3.2	25	0	6	2	"InChI=1S/C19H10N2O4/c1-24-19(23)13-8-11-17(22)15-14-10(6-7-20-16(14)18(11)25-13)9-4-2-3-5-12(9)21-15/h2-8H,1H3"	COC(=O)C1=CC2=C(O1)C3=NC=CC4=C3C(=NC5=CC=CC=C45)C2=O	GLQGTGZBHNQVDM-UHFFFAOYSA-N
DG67183	"12-Imino-4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),9,19-tetraen-2-one"	46861729	"NSC-753790; CHEMBL2024484; NSC753790; 6-Imino-1,2,3,4,8,9,10,11-octahydropyrido[1,2-a]pyrido[1',2',1,2]imidazo[5,4-f]benzimidazol-13-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753790	.	.	.	.	295.34	C16H17N5O	76.6	523	1.9	22	1	4	0	"InChI=1S/C16H17N5O/c17-11-12-15(21-8-4-2-5-9(21)18-12)16(22)13-14(11)20-7-3-1-6-10(20)19-13/h17H,1-8H2"	C1CCN2C(=NC3=C2C(=O)C4=C(C3=N)N5CCCCC5=N4)C1	LSJYKGSGZXKCFX-UHFFFAOYSA-N
DG67184	"[1-(4-Chlorophenyl)-4-hydroxypyrazol-3-yl]-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)methanone"	46865789	CHEMBL1090207; NSC748383; NSC-748383	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748383	.	.	.	.	404.8	C22H17ClN4O2	72.9	614	5.3	29	1	4	2	"InChI=1S/C22H17ClN4O2/c1-13-17-11-6-14-4-2-3-5-18(14)20(17)25-27(13)22(29)21-19(28)12-26(24-21)16-9-7-15(23)8-10-16/h2-5,7-10,12,28H,6,11H2,1H3"	CC1=C2CCC3=CC=CC=C3C2=NN1C(=O)C4=NN(C=C4O)C5=CC=C(C=C5)Cl	DWTHWQFUKBSGGN-UHFFFAOYSA-N
DG67185	5-Amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile	46865790	CHEMBL1090208; NSC748382; NSC-748382	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748382	.	.	.	.	328.71	C14H9ClN6O2	123	503	2.8	23	2	6	2	"InChI=1S/C14H9ClN6O2/c15-9-1-3-10(4-2-9)20-7-11(22)12(19-20)14(23)21-13(17)8(5-16)6-18-21/h1-4,6-7,22H,17H2"	C1=CC(=CC=C1N2C=C(C(=N2)C(=O)N3C(=C(C=N3)C#N)N)O)Cl	QSXIDUKAGCAOKB-UHFFFAOYSA-N
DG67186	"2,5-dimethyl-N-[6-(morpholin-4-ylmethyl)quinolin-2-yl]-1-phenylpyrrole-3-carboxamide"	46869957	"VU-WS113; 1415921-09-3; SCHEMBL14246112; NSC755092; NSC-755092; 2,5-Dimethyl-N-(6-(morpholinomethyl)quinolin-2-yl)-1-phenyl-1H-pyrrole-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755092	.	.	.	.	440.5	C27H28N4O2	59.4	648	4	33	1	4	5	"InChI=1S/C27H28N4O2/c1-19-16-24(20(2)31(19)23-6-4-3-5-7-23)27(32)29-26-11-9-22-17-21(8-10-25(22)28-26)18-30-12-14-33-15-13-30/h3-11,16-17H,12-15,18H2,1-2H3,(H,28,29,32)"	CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NC3=NC4=C(C=C3)C=C(C=C4)CN5CCOCC5	GMGBZULUUMXUJI-UHFFFAOYSA-N
DG67187	Avagacestat	46883536	"Avagacestat; 1146699-66-2; BMS-708163; BMS 708163; BMS-708163 (Avagacestat); Avagacestat (BMS-708163); BMS-708163-01; UNII-TQ44WWY45Q; TQ44WWY45Q; (2R)-2-[N-[(4-CHLOROPHENYL)SULFONYL]-N-[2-FLUORO-4-(1,2,4-OXADIAZOL-3-YL)BENZYL]AMINO]-5,5,5-TRIFLUOROPENTANAMIDE; BMS-70816301; (2R)-5,5,5-trifluoro-2-(N-{[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl}4-chlorobenzenesulfonamido)pentanamide; (2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide; (2R)-2-[(4-Chlorophenyl)sulfonyl-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoro-pentanamide; (2R)-2-[[(4-Chlorophenyl)sulfonyl][[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoropentanamide; Avagacestat [USAN:INN]; BMS708163; Avagacestat (USAN); C20H17ClF4N4O4S; MLS006011074; SCHEMBL310019; Avagacestat; BMS-708163; GTPL6489; CHEMBL1090771; Avagacestat, >=98% (HPLC); DTXSID40150811; CHEBI:177493; BCPP000327; HMS3884O07; (2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoropentanamide; (2R)-2-[[(4-Chlorophenyl)sulfonyl][[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoro-pentanamide; BCP01770; EX-A2871; BBL102113; BDBM50458169; MFCD13195458; NSC761217; s1262; STL555912; ZINC43202993; AKOS005146523; AKOS016016280; BCP9000429; CCG-269860; CS-0180; DB11893; NSC-761217; MRF-0000009; NCGC00346504-01; (2R)-2-(N-((4-Chlorophenyl)sulfonyl)-N-((2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl)methyl)amino)-5,5,5-trifluoropentanamide; AS-75078; HY-50845; SMR004676648; BCP0726000124; DB-024955; SW218162-2; X7561; C71464; D09869; 699B662; A894166; Q27074630; (2R)-2-[(4-chlorophenyl)sulonyl-[[2-luoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-triluoropentanamide; BMS-708163;(R)-2-(4-chloro-N-(2-fluoro-4-(1,2,4-oxadiazol-3-yl)benzyl)phenylsulfonamido)-5,5,5-trifluoropentanamide; EN9; N~2~-[(4-chlorophenyl)sulfonyl]-5,5,5-trifluoro-N~2~-[2-fluoro-4-(1,2,4-oxadiazol-3-yl)benzyl]-D-norvalinamide; Pentanamide, 2-[[(4-chlorophenyl)sulfonyl][[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoro-, (2R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761217	.	.	.	.	520.9	C20H17ClF4N4O4S	128	792	4	34	1	11	9	"InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1"	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl	XEAOPVUAMONVLA-QGZVFWFLSA-N
DG67188	"[1-(4-Chlorophenyl)-4-hydroxypyrazol-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone"	46884875	CHEMBL1089878; NSC748378; NSC-748378	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748378	.	.	.	.	316.74	C15H13ClN4O2	72.9	416	3.7	22	1	4	2	"InChI=1S/C15H13ClN4O2/c1-9-7-10(2)20(17-9)15(22)14-13(21)8-19(18-14)12-5-3-11(16)4-6-12/h3-8,21H,1-2H3"	CC1=CC(=NN1C(=O)C2=NN(C=C2O)C3=CC=C(C=C3)Cl)C	NWTMCJPBPGKDQK-UHFFFAOYSA-N
DG67189	"1-[1-(4-Chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazolidine-3,5-dione"	46884877	CHEMBL1089880; NSC748381; NSC-748381	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748381	.	.	.	.	320.69	C13H9ClN4O4	105	494	1.7	22	2	5	2	"InChI=1S/C13H9ClN4O4/c14-7-1-3-8(4-2-7)17-6-9(19)12(16-17)13(22)18-11(21)5-10(20)15-18/h1-4,6,19H,5H2,(H,15,20)"	C1C(=O)NN(C1=O)C(=O)C2=NN(C=C2O)C3=CC=C(C=C3)Cl	APMGJGAIIAZKFY-UHFFFAOYSA-N
DG67190	"6,7-difluoro-N-[(4-methoxyphenyl)methyl]-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-carboxamide"	46885175	"CHEMBL1092591; NSC744579; NSC-744579; 6,4-dioxyquinoxaline-2-carboxylic acid 4-methoxybenzylamide; 6,7-Difluoro-1,4-di-N-oxide-3-methylquinoxaline-2-carboxylic acid 2-(4-methoxybenzyl)-amide; 6,7-difluoro-N-[(4-methoxyphenyl)methyl]-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744579	.	.	.	.	375.3	C18H15F2N3O4	84.7	622	2.1	27	1	7	4	"InChI=1S/C18H15F2N3O4/c1-10-17(18(24)21-9-11-3-5-12(27-2)6-4-11)23(26)16-8-14(20)13(19)7-15(16)22(10)25/h3-8H,9H2,1-2H3,(H,21,24)"	CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)C(=O)NCC3=CC=C(C=C3)OC	DFMKJCWZCAPMDC-UHFFFAOYSA-N
DG67191	"3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl)phenyl)-1,1-dimethylurea"	46885626	"GSK1070916; 942918-07-2; GSK-1070916; GSK-1070916A; GSK 1070916; UNII-8VLB51V7HO; 3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl)phenyl)-1,1-dimethylurea; 8VLB51V7HO; N'-[4-[4-[2-[3-[(Dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethyl-1H-pyrazol-3-yl]phenyl]-N,N-dimethylurea; CHEMBL1090479; 3-[4-[4-[2-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethylpyrazol-3-yl]phenyl]-1,1-dimethylurea; 3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl)phenyl)-1,1-dimethylurea.; N'-{4-[4-(2-{3-[(dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea; compound 17k [PMID 20420387]; GTPL8358; SCHEMBL4305006; CHEBI:91362; DTXSID70241403; EX-A021; HMS3265K13; HMS3265K14; HMS3265L13; HMS3265L14; HMS3750K05; ACT06827; AOB87380; BCP02610; BDBM50315769; GSK 1070916A; MFCD22420815; NSC777445; NSC800108; s2740; ZINC43170519; AKOS005145558; BCP9000733; CCG-269759; CS-0008; NSC-777445; NSC-800108; QC-7255; SB14574; NCGC00346648-01; NCGC00346648-07; NCGC00346648-10; AC-32837; AS-17024; HY-70044; DB-079843; FT-0703862; F17366; J-523344; BRD-K36740062-001-01-7; Q27077863; 4-[3-(4-N,N-Dimethylcarbamylaminophenyl)-1-ethyl-1H-pyrazol-4-yl]-2-[3-(dimethylaminomethyl)phenyl]-1H-pyrrolo[2,3-b]-pyridine; N''-[4-[4-[2-[3-[(Dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethyl-1H-pyrazol-3-y; N'-{4-[4-(2-{3-[(dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl) 1-ethyl-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777445	.	.	.	.	507.6	C30H33N7O	82.1	770	3.9	38	2	4	7	"InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)"	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C	QTBWCSQGBMPECM-UHFFFAOYSA-N
DG67192	"N-(3-(4-benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)phenyl)-4-morpholino-3-(trifluoromethyl)benzamide"	46890251	"CHEMBL1084450; N-(3-(4-benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)phenyl)-4-morpholino-3-(trifluoromethyl)benzamide; KIST-101029; BDBM50319500; NSC752893; NSC-752893; 1230788-45-0; N-[3-(4-Benzoylamino-pyrrolo[3,2-c]pyridin-1-yl)-phenyl]-4-(4-morpholin-4-yl)-3-trifluoromethyl-benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752893	.	.	.	.	585.6	C32H26F3N5O3	88.5	957	5.2	43	2	8	6	"InChI=1S/C32H26F3N5O3/c33-32(34,35)26-19-22(9-10-28(26)39-15-17-43-18-16-39)31(42)37-23-7-4-8-24(20-23)40-14-12-25-27(40)11-13-36-29(25)38-30(41)21-5-2-1-3-6-21/h1-14,19-20H,15-18H2,(H,37,42)(H,36,38,41)"	C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)N4C=CC5=C4C=CN=C5NC(=O)C6=CC=CC=C6)C(F)(F)F	FDCXXPBBHPICRU-UHFFFAOYSA-N
DG67193	NSC765776	46893585	"1-(4-(2-(4-(1-(3-(Trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl)phenoxy)ethyl)piperazin-1-yl)ethanone; AZD3514; 1240299-33-5; AZD-3514; 1-(4-(2-(4-(1-(3-(Trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl)phenoxy)ethyl)piperazin-1-yl)ethanone; CS-1443; UNII-127DSS8X7J; 127DSS8X7J; CHEMBL2346976; 1-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]ethyl]piperazin-1-yl]ethanone; SCHEMBL3056463; DTXSID80677133; AZD 3514 [WHO-DD]; C25H32F3N7O2; HMS3652H18; AOB87377; AZD 3514; BCP07896; EX-A1806; 2239AH; BDBM50432188; NSC765776; s7040; AKOS027422738; ZINC101673084; CCG-264708; NSC-765776; SB19559; NCGC00386284-02; NCGC00386284-05; DA-35308; HY-16079; FT-0735650; SW219684-1; 1-{4-[2-(4-{1-[3-(Trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl}phenoxy)ethyl]piperazin-1-yl}ethan-1-one; 6-(4-{4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl}piperidin-1-yl)-3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazine; Ethanone, 1-(4-(2-(4-(1-(7,8-dihydro-3-(trifluoromethyl)-1,2,4-triazolo(4,3-b)pyridazin-6-yl)-4-piperidinyl)phenoxy)ethyl)-1-piperazinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765776	.	.	.	.	519.6	C25H32F3N7O2	79.1	805	1.7	37	0	9	6	"InChI=1S/C25H32F3N7O2/c1-18(36)33-14-12-32(13-15-33)16-17-37-21-4-2-19(3-5-21)20-8-10-34(11-9-20)23-7-6-22-29-30-24(25(26,27)28)35(22)31-23/h2-5,20H,6-17H2,1H3"	CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4	JMEYDSHPKCSIJC-UHFFFAOYSA-N
DG67194	NSC789041	46898058	"3-Chloro-N-((S)-1-(2-(dimethylamino)acetamido)-3-(4-(8-((S)-1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl)phenyl)propan-2-yl)-4-isopropoxybenzamide; GSK-923295; 1088965-37-0; GSK923295; GSK 923295A; GSK-923295A; GSK 923295; UNII-072702W9QD; GSK-295; 072702W9QD; 3-Chloro-N-{(1S)-2-[(N,N-dimethylglycyl)amino]-1-[(4-{8-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-2-yl}phenyl)methyl]ethyl}-4-[(1-methylethyl)oxy]benzamide; 3-Chloro-N-((S)-1-(2-(dimethylamino)acetamido)-3-(4-(8-((S)-1-hydroxyethyl)-imidazo[1,2-a]pyridin-2-yl)phenyl)propan-2-yl)-4-isopropoxybenzamide; 3-Chloro-N-((S)-1-(2-(dimethylamino)acetamido)-3-(4-(8-((S)-1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl)phenyl)propan-2-yl)-4-isopropoxybenzamide; MLS006011170; SCHEMBL1492164; CHEMBL4303470; AOB5937; DTXSID50677145; EX-A633; 3-chloro-N-[(2S)-1-[[2-(dimethylamino)acetyl]amino]-3-[4-[8-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide; BCP09858; MFCD16038931; NSC789041; s7090; ZINC68151184; AKOS016005270; CCG-270165; CS-0056; NSC-789041; NCGC00346943-01; NCGC00346943-02; AS-56167; Benzamide, 3-chloro-N-[(1S)-2-[[2-(dimethylamino)acetyl]amino]-1-[[4-[8-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]methyl]ethyl]-4-(1-methylethoxy)-; HY-10299; SMR004702939; SW208097-4; J-690025; 3-Chloro-N-[(1S)-2-[[2-(dimethylamino)acetyl]amino]-1-[[4-[8-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]methyl]ethyl]-4-(1-methylethoxy)benzamide; 3-Chloro-N-[(2S)-1-[(N,N-dimethylglycyl)amino]-3-(4-{8-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-2-yl}phenyl)propan-2-yl]-4-[(propan-2-yl)oxy]benzamide; GSK-923295A; ; ; 3-Chloro-N-[(2S)-1-[[2-(dimethylamino)acetyl]amino]-3-[4-[8-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789041	.	.	.	.	592.1	C32H38ClN5O4	108	870	5	42	3	6	12	"InChI=1S/C32H38ClN5O4/c1-20(2)42-29-13-12-24(16-27(29)33)32(41)35-25(17-34-30(40)19-37(4)5)15-22-8-10-23(11-9-22)28-18-38-14-6-7-26(21(3)39)31(38)36-28/h6-14,16,18,20-21,25,39H,15,17,19H2,1-5H3,(H,34,40)(H,35,41)/t21-,25-/m0/s1"	C[C@@H](C1=CC=CN2C1=NC(=C2)C3=CC=C(C=C3)C[C@@H](CNC(=O)CN(C)C)NC(=O)C4=CC(=C(C=C4)OC(C)C)Cl)O	WHMXDBPHBVLYRC-OFVILXPXSA-N
DG67196	1-[2-(3-Chlorophenyl)-2-oxoethyl]-2-acetylbenzimidazole	46911792	NSC748533; NSC-748533; 1-[2-(3-Chlorophenyl)-2-oxoethyl]-2-acetylbenzimidazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748533	.	.	.	.	312.7	C17H13ClN2O2	52	442	3.6	22	0	3	4	"InChI=1S/C17H13ClN2O2/c1-11(21)17-19-14-7-2-3-8-15(14)20(17)10-16(22)12-5-4-6-13(18)9-12/h2-9H,10H2,1H3"	CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC(=CC=C3)Cl	MVANUQIGPAVACK-UHFFFAOYSA-N
DG67197	Jnj-38877605	46911863	"JNJ-38877605; 943540-75-8; JNJ38877605; JNJ 38877605; UNII-15UDG410PN; 6-(difluoro(6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)quinoline; 6-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline; 15UDG410PN; 6-[Difluoro[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline; 6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]-triazolo[4,3-b]pyridazin-3-yl)methyl)quinoline; C19H13F2N7; 1072116-03-0; 6-{difluoro[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}quinoline; Quinoline, 6-(difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)-; Quinoline, 6-[difluoro[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]methyl]-; MLS006010960; SCHEMBL182199; CHEMBL2133806; CHEBI:91417; DTXSID20677253; QCR-226; SYN1047; BDBM163243; HMS3244G09; HMS3244G10; HMS3244H09; HMS3295K11; HMS3654M04; HMS3750I11; AOB87321; BCP01812; EX-A2081; NSC759095; NSC800776; s1114; ZINC43170515; AKOS015896605; BCP9000804; CCG-264826; DB13113; NSC-759095; NSC-800776; SB16606; NCGC00263189-01; NCGC00263189-02; NCGC00263189-06; AC-27418; AS-16207; BJ165317; HY-50683; SMR004702764; DB-000659; FT-0737555; SW220206-1; X7476; A19401; C77250; 540D758; JNJ-38877605,JNJ38877605; J-518058; BRD-K02123250-001-01-8; Q27163270; US9062045, Comparator No. 1 (JNJ-38877605); 6-(Difluoro-[6-(1methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-methyl)-quinoline; 6-[Difluoro[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]methyl]-quinoline; 6-{difluoro[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]-triazolo[4,3-b]pyridazin-3-yl]methyl}quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759095	.	.	.	.	377.3	C19H13F2N7	73.8	564	2.1	28	0	7	3	"InChI=1S/C19H13F2N7/c1-27-11-13(10-23-27)16-6-7-17-24-25-18(28(17)26-16)19(20,21)14-4-5-15-12(9-14)3-2-8-22-15/h2-11H,1H3"	CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2	JRWCBEOAFGHNNU-UHFFFAOYSA-N
DG67199	"1-[3-[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	46912850	CHEMBL1171300; NSC749646; NSC-749646	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749646	.	.	.	.	470.9	C27H23ClN4O2	59.7	726	4.9	34	0	4	5	"InChI=1S/C27H23ClN4O2/c1-18(33)32-26(16-25(29-32)19-10-14-23(34-2)15-11-19)24-17-31(22-6-4-3-5-7-22)30-27(24)20-8-12-21(28)13-9-20/h3-15,17,26H,16H2,1-2H3"	CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5	CHIRQGSMASSQAS-UHFFFAOYSA-N
DG67200	NSC782362	46917355	"N-(4-(4-(2-(difluoromethyl)-4-methoxy-1H-benzo[d]imidazol-1-yl)-6-morpholino-1,3,5-triazin-2-yl)phenyl)-2-(dimethylamino)ethanesulfonamide; pwt-33597; 1246203-32-6; UNII-2H36UAA53E; 2H36UAA53E; N-(4-(4-(2-(difluoromethyl)-4-methoxy-1H-benzo[d]imidazol-1-yl)-6-morpholino-1,3,5-triazin-2-yl)phenyl)-2-(dimethylamino)ethanesulfonamide; NSC-782362; SCHEMBL477656; DTXSID70677349; VDC-597; PWT33597; NSC782362; PWT 33597; SB16923; SN-33597; 1428967-75-2; Ethanesulfonamide, N-(4-(4-(2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl)-6-(4-morpholinyl)-1,3,5-triazin-2-yl)phenyl)-2-(dimethylamino)-; N-(4-(4-(2-(Difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl)-6-(4-morpholinyl)-1,3,5-triazin-2-yl)phenyl)-2-(dimethylamino)ethanesulfonamide; N-(4-{4-[2-(Difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}phenyl)-2-(dimethylamino)ethane-1-sulfonamide; N-[4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-2-(dimethylamino)ethanesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782362	.	.	.	.	588.6	C26H30F2N8O4S	136	933	2.9	41	1	13	10	"InChI=1S/C26H30F2N8O4S/c1-34(2)13-16-41(37,38)33-18-9-7-17(8-10-18)23-30-25(35-11-14-40-15-12-35)32-26(31-23)36-19-5-4-6-20(39-3)21(19)29-24(36)22(27)28/h4-10,22,33H,11-16H2,1-3H3"	CN(C)CCS(=O)(=O)NC1=CC=C(C=C1)C2=NC(=NC(=N2)N3CCOCC3)N4C5=C(C(=CC=C5)OC)N=C4C(F)F	GDCJHDUWWAKBIW-UHFFFAOYSA-N
DG67201	"(R)-N-(4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopropanecarboxamide"	46917793	"GDC-0575; 1196541-47-5; GDC-0575 freebase; RG7741; (R)-N-(4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopropanecarboxamide; N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide; SCHEMBL618598; ARRY-575; EX-A3129; WXB54147; MFCD30530648; NSC808789; s8526; ZINC114234635; GDC0575ARRY-575RG7441; NSC-808789; RG-7741; BS-14610; HY-112167; CS-0043591; A16811; GDC-0575 (ARRY-575, RG7741); RG7741; ARRY575; AK-687476; (R)-N-(4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopropane carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	808789	.	.	.	.	378.27	C16H20BrN5O	87	460	1.4	23	3	4	3	"InChI=1S/C16H20BrN5O/c17-11-6-19-15-13(14(11)22-5-1-2-10(18)8-22)12(7-20-15)21-16(23)9-3-4-9/h6-7,9-10H,1-5,8,18H2,(H,19,20)(H,21,23)/t10-/m1/s1"	C1C[C@H](CN(C1)C2=C3C(=CNC3=NC=C2Br)NC(=O)C4CC4)N	BAZRWWGASYWYGB-SNVBAGLBSA-N
DG67202	"1-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]phenyl-4-phenyl-2,3-dihydro-1H-2-imidazolone"	46919705	"SCHEMBL2276834; CHEMBL1209000; SCHEMBL14761041; NSC748561; NSC-748561; 1-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]phenyl-4-phenyl-2,3-dihydro-1H-2-imidazolone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748561	.	.	.	.	412.4	C25H20N2O4	78.9	712	3.9	31	2	4	6	"InChI=1S/C25H20N2O4/c1-31-24-14-17(11-13-23(24)29)10-12-22(28)19-8-5-9-20(15-19)27-16-21(26-25(27)30)18-6-3-2-4-7-18/h2-16,29H,1H3,(H,26,30)/b12-10+"	COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=CC=C2)N3C=C(NC3=O)C4=CC=CC=C4)O	UPEXFYNBXNPNLB-ZRDIBKRKSA-N
DG67203	"1-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]phenyl-4-(4-methoxyphenyl)-2,3-dihydro-1H-2-imidazolone"	46919706	"SCHEMBL2272466; CHEMBL1208940; SCHEMBL14760768; NSC748560; NSC-748560; 1-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]phenyl-4-(4-methoxyphenyl)-2,3-dihydro-1H-2-imidazolone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748560	.	.	.	.	442.5	C26H22N2O5	88.1	758	3.9	33	2	5	7	"InChI=1S/C26H22N2O5/c1-32-21-10-8-18(9-11-21)22-16-28(26(31)27-22)20-5-3-4-19(15-20)23(29)12-6-17-7-13-24(30)25(14-17)33-2/h3-16,30H,1-2H3,(H,27,31)/b12-6+"	COC1=CC=C(C=C1)C2=CN(C(=O)N2)C3=CC=CC(=C3)C(=O)/C=C/C4=CC(=C(C=C4)O)OC	XDUAIQUMHPFQPB-WUXMJOGZSA-N
DG67204	"4-(4-chlorophenyl)-1-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone"	46919707	"SCHEMBL2266495; SCHEMBL2266502; CHEMBL1208939; NSC748559; NSC-748559; 4-(4-chlorophenyl)-1-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748559	.	.	.	.	446.9	C25H19ClN2O4	78.9	746	4.5	32	2	4	6	"InChI=1S/C25H19ClN2O4/c1-32-24-13-16(6-12-23(24)30)5-11-22(29)18-3-2-4-20(14-18)28-15-21(27-25(28)31)17-7-9-19(26)10-8-17/h2-15,30H,1H3,(H,27,31)/b11-5+"	COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=CC=C2)N3C=C(NC3=O)C4=CC=C(C=C4)Cl)O	MHEKBJLSZNJTFR-VZUCSPMQSA-N
DG67205	Dinaciclib	46926350	"Dinaciclib; 779353-01-4; SCH727965; Dinaciclib (SCH727965); SCH-727965; SCH 727965; MK-7965; (S)-3-(((3-ethyl-5-(2-(2-hydroxyethyl)piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl)amino)methyl)pyridine 1-oxide; (2S)-1-[3-Ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2-piperidineethanol; C21H28N6O2; 2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol; UNII-4V8ECV0NBQ; 1-[3-Ethyl-7[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2(s)-piperidineethanol; Dinaciclib (USAN/INN); 4V8ECV0NBQ; MLS006011034; GTPL7379; CHEMBL2103840; SCHEMBL12048446; CHEBI:95060; AOB87336; BDBM50139171; MFCD16037702; NSC747135; NSC764036; NSC800091; s2768; ZINC34894449; AKOS030526898; CCG-268610; CS-0541; DB12021; NSC-727135; NSC-747135; NSC-764036; NSC-800091; AC-32835; AS-17017; HY-10492; QC-11639; SMR004702827; PS-095760; SCH 727965,SCH727965, Dinaciclib; SW220016-1; Y0347; D09604; A855880; J-501008; BRD-K13662825-001-02-6; Q15723091; (S)-3-((3-ethyl-5-(2-(2-hydroxyethyl)piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide; SCH-727965; PS095760;(2S)-1-[3-Ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2-piperidineethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764036	.	.	.	.	396.5	C21H28N6O2	91.2	512	1.9	29	2	6	7	"InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1"	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO	PIMQWRZWLQKKBJ-SFHVURJKSA-N
DG67207	Gdc-0152	46940575	"GDC-0152; 873652-48-3; GDC-0152 free base; GDC0152; UNII-4KW1M48SHS; GDC 0152; (s)-1-((s)-2-cyclohexyl-2-((s)-2-(methylamino)propanamido)acetyl)-N-(4-phenyl-1,2,3-thiadiazol-5-yl)pyrrolidine-2-carboxamide; 4KW1M48SHS; CHEMBL2063869; 873652-48-3 (free base); (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide; GTPL7733; SCHEMBL10166489; DTXSID00236307; EX-A1658; BDBM50388975; NSC765898; ZINC84654490; CCG-269679; CS-3546; DB12380; NSC-765898; AC-32972; HY-13638; S7010; SW220303-1; A14135; D71050; A916910; Q27077778"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765898	.	.	.	.	498.6	C25H34N6O3S	145	743	3.4	35	3	7	8	"InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1"	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC3=C(N=NS3)C4=CC=CC=C4)NC	WZRFLSDVFPIXOV-LRQRDZAKSA-N
DG67208	"2-[(4s)-6-(4-Chlorophenyl)-8-Methoxy-1-Methyl-4h-[1,2,4]triazolo[4,3-A][1,4]benzodiazepin-4-Yl]-N-Ethylacetamide"	46943432	"1260907-17-2; molibresib; I-BET-762; GSK 525762A; GSK525762A; I-BET762; I-BET 762; GSK-525762; GSK525762; UNII-5QIO6SRZ2R; Bet inhibitor GSK525762; (S)-2-(6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide; 5QIO6SRZ2R; GSK-525762A (I-BET 762); 2-[(4s)-6-(4-Chlorophenyl)-8-Methoxy-1-Methyl-4h-[1,2,4]triazolo[4,3-A][1,4]benzodiazepin-4-Yl]-N-Ethylacetamide; CHEMBL1232461; GSK-525762A; CS-0717; 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetamide, 6-(4-chlorophenyl)-N-ethyl-8-methoxy-1-methyl-, (4S)-; 2yek; iBET; (S)-2-(6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo-[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide; EAM; Molibresib (USAN); 3p5o; Molibresib (I-BET-762); GTPL7033; SCHEMBL1872390; CHEBI:95082; AOB2188; DTXSID60677590; EX-A462; BCP07337; BDBM50365463; MFCD22417091; NSC774829; s7189; ZINC58655571; AKOS025404837; ACN-030386; CCG-208698; NSC-774829; NCGC00263621-02; NCGC00263621-04; NCGC00263621-06; AC-32712; AS-16364; BP-23442; HY-13032; QC-11690; GSK-525762A(I-BET-762); I-BET762, >=98% (HPLC); B1498; SW220225-1; Y1399; D11326; J-005327; Q27078016; (4S)-6-(4-Chlorophenyl)-N-ethyl-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4-acetamide; 2-((4S)-6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide; 2-[(4S)-6-(4-Chlorophenyl)-1-methyl-8-(methyloxy)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774829	.	.	.	.	423.9	C22H22ClN5O2	81.4	639	2.9	30	1	5	5	"InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1"	CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C	AAAQFGUYHFJNHI-SFHVURJKSA-N
DG67210	Lychnopholide	49767028	"Lychnopholide; (-)-Lychnopholide; 77448-64-7; NSC669145; 2-Butenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,11a-octahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aR-(3aR*,4S*(Z),6R*,10Z,11aR*))-; 2-Butenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,11a-octahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester, [3aR-[3aR*,4S*(Z),6R*,10Z,11aR*]]-; NSC 669145; CHEMBL4476580; (dimethyl-methylene-dioxo-[ ]yl) (Z)-2-methylbut-2-enoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669145	.	.	.	.	358.4	C20H22O6	78.9	799	2.4	26	0	6	3	"InChI=1S/C20H22O6/c1-6-10(2)18(22)25-15-9-20(5)16(21)8-13(26-20)11(3)7-14-17(15)12(4)19(23)24-14/h6-8,14-15,17H,4,9H2,1-3,5H3/b10-6-,11-7-/t14-,15+,17+,20-/m1/s1"	C/C=C(/C)\\C(=O)O[C@H]1C[C@@]2(C(=O)C=C(O2)/C(=C\\[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)C	QATUWZPYBIHFFR-UVXIKMMUSA-N
DG67212	1-[4-Chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]guanidine	49791547	"51387-68-9; Guanidine,.alpha.,.alpha.-trifluoro-m-tolyl)-3-[4-[[2-(diisopropylamino)ethyl]amino]-6-methyl-2-pyrimidinyl]-; Guanidine,.alpha.,.alpha.-trifluoro-m-tolyl]-3-[4-[[2-(diisopropylamino)ethyl]amino]-6-methyl-2-pyrimidinyl]-; DTXSID10965691; NSC127328; NSC-127328; N-[4-Chloro-3-(trifluoromethyl)phenyl]-N'-[6-({2-[di(propan-2-yl)amino]ethyl}imino)-4-methyl-1,6-dihydropyrimidin-2-yl]guanidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127328	.	.	.	.	471.9	C21H29ClF3N7	91.5	594	4.8	32	3	8	9	"InChI=1S/C21H29ClF3N7/c1-12(2)32(13(3)4)9-8-27-18-10-14(5)28-20(30-18)31-19(26)29-15-6-7-17(22)16(11-15)21(23,24)25/h6-7,10-13H,8-9H2,1-5H3,(H4,26,27,28,29,30,31)"	CC1=CC(=NC(=N1)/N=C(\\N)/NC2=CC(=C(C=C2)Cl)C(F)(F)F)NCCN(C(C)C)C(C)C	DINNMQMTOABTAT-UHFFFAOYSA-N
DG67213	"2,4-dimethoxy-1-[(Z)-2-nitrobut-1-enyl]benzene"	49791635	NSC14009; ZINC1592092; NSC-14009; 15804-83-8	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14009	.	.	.	.	237.25	C12H15NO4	64.3	285	2.9	17	0	4	4	"InChI=1S/C12H15NO4/c1-4-10(13(14)15)7-9-5-6-11(16-2)8-12(9)17-3/h5-8H,4H2,1-3H3/b10-7-"	CC/C(=C/C1=C(C=C(C=C1)OC)OC)/[N+](=O)[O-]	PQMRXWZJELZJOC-YFHOEESVSA-N
DG67214	Onvansertib	49792852	"NMS-1286937; 1034616-18-6; Onvansertib; NMS-P937; Onvansertib free base; UNII-67RM91WDHQ; NMS-P937 (NMS1286937); NMS1286937; 67RM91WDHQ; CHEMBL1738758; PCM-075; Onvansertib (USAN); Onvansertib [USAN]; NMS 1286937; 1-(2-Hydroxyethyl)-8-((5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl)amino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide; 1-(2-Hydroxyethyl)-8-[[5-(4-Methylpiperazin-1-Yl)-2-(Trifluoromethoxy)phenyl]amino]-4,5-Dihydropyrimido[5,4-G]indazole-3-Carboxamide; 1-(2-hydroxyethyl)-8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide; 1-(2-hydroxyethyl)-8-(5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino)-4,5-dihydropyrazolo(4,3-h)quinazoline-3-carboxamide; 1H-Pyrazolo[4,3-h]quinazoline-3-carboxamide, 4,5-dihydro-1-(2-hydroxyethyl)-8-[[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino]-;1H-Pyrazolo[4,3-h]quinazoline-3-carboxamide, 4,5-dihydro-1-(2-hydroxyethyl)-8-[[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino]-; GTPL7918; NMS P937; SCHEMBL1228019; C24H27F3N8O3; HMS3653G04; HMS3673E21; BCP28066; EX-A1590; 2590AH; BDBM50343559; NSC781344; NSC800806; s7255; WHO 11172; ZINC43196885; CCG-269924; CS-3146; DB15110; NSC-781344; NSC-800806; SB16941; NCGC00386361-03; 1H-Pyrazolo(4,3-H)quinazoline-3-carboxamide, 4,5-dihydro-1-(2-hydroxyethyl)-8-((5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl)amino)-; HY-15828; NMS-1286937,NMS-P937; B4094; SW219402-1; A13045; D11458; A896452; Q27087959; 1-(2-Hydroxy-ethyl)-8-[5-(4-methyl-piperazin-1-yl)-2-trifluoromethoxy-phenylamino]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide; 1-(2-hydroxyethyl)-8-(5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide; 1-(2-hydroxyethyl)-8-{[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino}-1H,4H,5H-pyrazolo[4,3-h]quinazoline-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781344	.	.	.	.	532.5	C24H27F3N8O3	135	817	2	38	3	12	7	"InChI=1S/C24H27F3N8O3/c1-33-6-8-34(9-7-33)15-3-5-18(38-24(25,26)27)17(12-15)30-23-29-13-14-2-4-16-20(22(28)37)32-35(10-11-36)21(16)19(14)31-23/h3,5,12-13,36H,2,4,6-11H2,1H3,(H2,28,37)(H,29,30,31)"	CN1CCN(CC1)C2=CC(=C(C=C2)OC(F)(F)F)NC3=NC=C4CCC5=C(C4=N3)N(N=C5C(=O)N)CCO	QHLVBNKYJGBCQJ-UHFFFAOYSA-N
DG67215	"3-(benzo[d]oxazol-2-yl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine, 2HCl salt"	49798416	"CHEMBL1170608; NSC748337; NSC-748337; 3-(benzo[d]oxazol-2-yl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine, 2HCl salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748337	.	.	.	.	396.9	C20H21ClN6O	94.8	501	.	28	3	6	3	"InChI=1S/C20H20N6O.ClH/c21-19-16(20-25-17-3-1-2-4-18(17)27-20)9-13(10-23-19)14-11-24-26(12-14)15-5-7-22-8-6-15;/h1-4,9-12,15,22H,5-8H2,(H2,21,23);1H"	C1CNCCC1N2C=C(C=N2)C3=CC(=C(N=C3)N)C4=NC5=CC=CC=C5O4.Cl	OABNRVVPPIKZHM-UHFFFAOYSA-N
DG67217	"N2-(3,5-dimorpholinophenyl)-N4-(1H-indazol-4-yl)-N4-methylpyrimidine-2,4-diamine"	49831162	"AZ12672857; CHEMBL1269858; SCHEMBL1171867; BDBM50329070; NSC828852; NSC-828852; HY-136895; CS-0134324; AZ-12672857; N2-(3,5-dimorpholinophenyl)-N4-(1H-indazol-4-yl)-N4-methylpyrimidine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	828852	.	.	.	.	486.6	C26H30N8O2	94.7	665	3.2	36	2	9	6	"InChI=1S/C26H30N8O2/c1-32(24-4-2-3-23-22(24)18-28-31-23)25-5-6-27-26(30-25)29-19-15-20(33-7-11-35-12-8-33)17-21(16-19)34-9-13-36-14-10-34/h2-6,15-18H,7-14H2,1H3,(H,28,31)(H,27,29,30)"	CN(C1=NC(=NC=C1)NC2=CC(=CC(=C2)N3CCOCC3)N4CCOCC4)C5=CC=CC6=C5C=NN6	QLFGDTPACJHLRY-UHFFFAOYSA-N
DG67218	N-hydroxy-4-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]benzamide	49831244	SCHEMBL2724240; NSC751166; NSC-751166	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751166	.	.	.	.	326.35	C17H18N4O3	88.4	415	1.9	24	3	5	6	"InChI=1S/C17H18N4O3/c1-24-11-10-21-15-5-3-2-4-14(15)19-17(21)18-13-8-6-12(7-9-13)16(22)20-23/h2-9,23H,10-11H2,1H3,(H,18,19)(H,20,22)"	COCCN1C2=CC=CC=C2N=C1NC3=CC=C(C=C3)C(=O)NO	NETRZYYYLKYBFU-UHFFFAOYSA-N
DG67219	Birinapant	49836020	"Birinapant; 1260251-31-7; Birinapant (TL32711); TL32711; TL-32711; UNII-6O4Z07B57R; TL 32711; (2S)-N-[(2S)-1-[(2R,4S)-2-[[6-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-hydroxy-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide; 6O4Z07B57R; (2S,2'S)-N,N'-((2S,2'S)-((3S,3'S,5R,5'R)-5,5'-((6,6'-difluoro-1H,1'H-[2,2'-biindole]-3,3'-diyl)bis(methylene))bis(3-hydroxypyrrolidine-5,1-diyl))bis(1-oxobutane-2,1-diyl))bis(2-(methylamino)propanamide); (2s,2's)-N,N'-[(6,6'-Difluoro-1h,1'h-2,2'-Biindole-3,3'-Diyl)bis{methanediyl[(2r,4s)-4-Hydroxypyrrolidine-2,1-Diyl][(2s)-1-Oxobutane-1,2-Diyl]}]bis[2-(Methylamino)propanamide]; Birinapant [USAN:INN]; Birinapant di-HCl; Birinapant (USAN/INN); MLS006011237; GTPL7432; TL32711 2HCl; CHEMBL3039522; SCHEMBL10049847; DTXSID30155057; EX-A258; TL-32711 2HCl; C42H56F2N8O6; CHEBI:177705; AOB87396; 2269AH; BDBM50071920; MFCD25976869; NSC767128; NSC816007; s7015; ZINC96941868; AKOS030526366; CCG-270498; CS-1719; DB11782; NSC-767128; NSC-816007; AC-32868; AS-17035; HY-16591; SMR004702997; SW220103-1; D10417; A852939; Q27075298; (2S)-N-[(2S)-1-[(2R,4S)-2-[[6-luoro-2-[6-luoro-3-[[(2R,4S)-4-hydroxy-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide; (2S,2'S)-N,N'-((2S,2'S)-1,1'-((3S,3'S,5R,5'R)-5,5'-(6,6'-difluoro-1H,1'H-2,2'-biindole-3,3'-diyl)bis(methylene)bis(3-hydroxypyrrolidine-5,1-diyl))bis(1-oxobutane-2,1-diyl))bis(2-(methylamino)propanamide); (2S,2'S)-N,N'-[(6,6'-difluoro-1H,1'H-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2R,4S)-4-hydroxypyrrolidine-2,1-diyl][(2S)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide] (non-preferred name); GT6; Propanamide, N,N'-[(6,6'-difluoro[2,2'-bi-1H-indole]-3,3'-diyl)bis[methylene[(2R,4S)-4-hydroxy-2,1-pyrrolidinediyl][(1S)-1-ethyl-2-oxo-2,1-ethanediyl]]]bis[2-(methylamino)-, (2S,2'S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767128	.	.	.	.	806.9	C42H56F2N8O6	195	1350	3.3	58	8	10	15	"InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1"	CC[C@@H](C(=O)N1C[C@H](C[C@H]1CC2=C(NC3=C2C=CC(=C3)F)C4=C(C5=C(N4)C=C(C=C5)F)C[C@@H]6C[C@@H](CN6C(=O)[C@H](CC)NC(=O)[C@H](C)NC)O)O)NC(=O)[C@H](C)NC	PKWRMUKBEYJEIX-DXXQBUJASA-N
DG67220	"(3Z)-1-(2,6-dichlorophenyl)-3-[(4-oxochromen-3-yl)methylidene]indol-2-one"	49844091	CHEMBL1811931; NSC750510; NSC-750510	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750510	.	.	.	.	434.3	C24H13Cl2NO3	46.6	768	5.5	30	0	3	2	InChI=1S/C24H13Cl2NO3/c25-18-8-5-9-19(26)22(18)27-20-10-3-1-6-15(20)17(24(27)29)12-14-13-30-21-11-4-2-7-16(21)23(14)28/h1-13H/b17-12-	C1=CC=C2C(=C1)/C(=C/C3=COC4=CC=CC=C4C3=O)/C(=O)N2C5=C(C=CC=C5Cl)Cl	HHZMLXUEMCFXBW-ATVHPVEESA-N
DG67221	"(3Z)-3-[[1-(2,6-dichlorobenzoyl)indol-3-yl]methylidene]-1H-indol-2-one"	49844546	CHEMBL1812981; NSC751864; NSC-751864	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751864	.	.	.	.	433.3	C24H14Cl2N2O2	51.1	716	5.8	30	1	2	2	"InChI=1S/C24H14Cl2N2O2/c25-18-8-5-9-19(26)22(18)24(30)28-13-14(15-6-2-4-11-21(15)28)12-17-16-7-1-3-10-20(16)27-23(17)29/h1-13H,(H,27,29)/b17-12-"	C1=CC=C2C(=C1)/C(=C/C3=CN(C4=CC=CC=C43)C(=O)C5=C(C=CC=C5Cl)Cl)/C(=O)N2	VZFWBLNAWKREPU-ATVHPVEESA-N
DG67222	"(3Z)-1-(2,6-dichlorophenyl)-3-(pyridin-2-ylmethylidene)indol-2-one"	49845169	CHEMBL1812993; NSC751278; NSC-751278	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751278	.	.	.	.	367.2	C20H12Cl2N2O	33.2	528	4.9	25	0	2	2	InChI=1S/C20H12Cl2N2O/c21-16-8-5-9-17(22)19(16)24-18-10-2-1-7-14(18)15(20(24)25)12-13-6-3-4-11-23-13/h1-12H/b15-12-	C1=CC=C2C(=C1)/C(=C/C3=CC=CC=N3)/C(=O)N2C4=C(C=CC=C4Cl)Cl	FFOJPWLKCHNOJO-QINSGFPZSA-N
DG67224	NSC787048	49847690	"(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1S,2R)-2-[6-[[(1S,2R)-1-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]oxy]hexa-2,4-diynoxy]-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide; AZD5582; AZD-5582; 1258392-53-8; AZD 5582; CHEMBL3108827; (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1S,2R)-2-[6-[[(1S,2R)-1-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]oxy]hexa-2,4-diynoxy]-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide; GTPL7710; SCHEMBL2724968; AOB5560; EX-A1396; BDBM50495451; NSC787048; s7362; AKOS037648604; CCG-270609; NSC-787048; BS-14829; HY-12600; C72040; A858204; Q27074760; (2S,2'S)-1,1'-((S,2S,2'S)-2,2'-(((1S,1'S,2R,2'R)-(Hexa-2,4-diyne-1,6-diylbis(oxy))bis(2,3-dihydro-1H-indene-2,1-diyl))bis(cyclohexane-3,1-diyl))bis(2-((S)-2-(methylamino)propanamido)acetyl))bis(pyrrolidine-2-carboxamide); (S,S,2S,2'S)-N,N'-((1S,1'S,2R,2'R)-2,2'-(Hexa-2,4-diyne-1,6-diylbis(oxy))bis(2,3-dihydro-1H-indene-2,1-diyl))bis(1-((S)-2-cyclohexyl-2-((S)-2-(methylamino)propanamido)acetyl)-pyrrolidine-2-carboxamide).; (S,S,2S,2a(2)S)-N,Na ((1S,1a(2)S,2R,2a(2)R)-2,2a (Hexa-2,4-diyne-1,6-diylbis(oxy))bis(2,3-dihydro-1H-indene-2,1-diyl))bis(1-((S)-2-cyclohexyl-2-((S)-2-(methylamino)propanamido)acetyl)-pyrrolidine-2-carboxamide)."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787048	.	.	.	.	1015.3	C58H78N8O8	200	1950	5.9	74	6	10	19	"InChI=1S/C58H78N8O8/c1-37(59-3)53(67)61-49(39-21-9-7-10-22-39)57(71)65-31-19-29-45(65)55(69)63-51-43-27-15-13-25-41(43)35-47(51)73-33-17-5-6-18-34-74-48-36-42-26-14-16-28-44(42)52(48)64-56(70)46-30-20-32-66(46)58(72)50(40-23-11-8-12-24-40)62-54(68)38(2)60-4/h13-16,25-28,37-40,45-52,59-60H,7-12,19-24,29-36H2,1-4H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t37-,38-,45-,46-,47+,48+,49-,50-,51-,52-/m0/s1"	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC	WLMCRYCCYXHPQF-ZVMUOSSASA-N
DG67225	N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide	49854703	SCHEMBL2701145; CHEMBL3335791; PKM2 (9); NSC772991; NSC-772991; 1260074-86-9	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772991	.	.	.	.	502.6	C27H26N4O4S	100	833	2.8	36	1	7	6	"InChI=1S/C27H26N4O4S/c1-35-24-9-3-2-8-23(24)30-16-18-31(19-17-30)27(32)21-11-13-22(14-12-21)29-36(33,34)25-10-4-6-20-7-5-15-28-26(20)25/h2-15,29H,16-19H2,1H3"	COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5	OTIZXEVJWJRNLB-UHFFFAOYSA-N
DG67226	Pracinostat	49855250	"Pracinostat; 929016-96-6; SB939; SB 939; Pracinostat (SB939); SB-939; UNII-GPO2JN4UON; (E)-3-(2-butyl-1-(2-(diethylamino)ethyl)-1H-benzo[d]imidazol-5-yl)-N-hydroxyacrylamide; GPO2JN4UON; CHEMBL1851943; Pracinostat [INN]; pracinostatum; (2E)-3-[2-Butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl]-N-hydroxyacrylamide; (2E)-3-{2-butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl}-N-hydroxyacrylamide; SB939,Pracinostat; Pracinostat(SB939); SB939 (Pracinostat); MLS006011217; SCHEMBL833105; GTPL8365; CHEBI:95071; DTXSID00239196; EX-A351; AOB87709; BCP02073; BDBM50105330; MFCD17215206; NSC758249; s1515; ZINC43152558; CCG-264903; CS-0567; DB05223; NSC-758249; NCGC00263136-04; AC-33161; AS-19395; HY-13322; QC-10486; SMR004702979; SW219429-1; X7533; EC-000.2481; A850037; Q18344027; (2E)-3-[2-Butyl-1-[2-(diethylaMino)ethyl]-1H-benziMidazol-5-yl]-N-hydroxy-2-propenaMide; (E)-3-[2-butyl-1-(2-diethylaminoethyl)benzimidazol-5-yl]prop-2-enehydroxamic acid; (E)-3-[2-butyl-1-[2-(diethylamino)ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide; (2E)-3-{2-butyl-1-[2-(diethylamino)ethyl]-1H-1,3-benzodiazol-5-yl}-N-hydroxyprop-2-enamide; 2-Propenamide, 3-(2-butyl-1-(2-(diethylamino)ethyl)-1H-benzimidazol-5-yl)-N-hydroxy-, (2E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758249	.	.	.	.	358.5	C20H30N4O2	70.4	453	3.1	26	2	4	10	"InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+"	CCCCC1=NC2=C(N1CCN(CC)CC)C=CC(=C2)/C=C/C(=O)NO	JHDKZFFAIZKUCU-ZRDIBKRKSA-N
DG67227	NSC364188	49861682	"4,4':3,4]cyclobut[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone, 3a,3b,4,4a,7a,8,8a,8b-octahydro-2,6-bis[(4-methyl-1-piperazinyl)methyl]-, dihydrochloride; CHEMBL1204263; NSC364188; NSC-364188; 4,4':3,4]cyclobut[1,2-f]isoindole- 1,3,5,7(2H,6H)-tetrone, 3a,3b,4,4a,7a,8,8a,8b-octahydro- 2,6-bis[(4-methyl-1-piperazinyl)methyl]-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	364188	.	.	.	.	533.1	C26H37ClN6O4	87.7	976	.	37	1	8	4	"InChI=1S/C26H36N6O4.ClH/c1-27-5-9-29(10-6-27)13-31-23(33)19-15-3-4-16(20(19)24(31)34)18-17(15)21-22(18)26(36)32(25(21)35)14-30-11-7-28(2)8-12-30;/h3-4,15-22H,5-14H2,1-2H3;1H"	CN1CCN(CC1)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)CN7CCN(CC7)C.Cl	IBNRBPVYVIHUCM-UHFFFAOYSA-N
DG67228	"4-(4-chlorophenyl)-1-3-[(E)-3-(3,5-trimethoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone"	49862040	"SCHEMBL2272651; CHEMBL1208875; SCHEMBL14760935; NSC750332; NSC-750332; 4-(4-chlorophenyl)-1-3-[(E)-3-(3,5-trimethoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750332	.	.	.	.	490.9	C27H23ClN2O5	77.1	795	4.8	35	1	5	8	"InChI=1S/C27H23ClN2O5/c1-33-24-13-17(14-25(34-2)26(24)35-3)7-12-23(31)19-5-4-6-21(15-19)30-16-22(29-27(30)32)18-8-10-20(28)11-9-18/h4-16H,1-3H3,(H,29,32)/b12-7+"	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=CC(=CC=C2)N3C=C(NC3=O)C4=CC=C(C=C4)Cl	OCNRWUCUXUXDQJ-KPKJPENVSA-N
DG67229	"4-(3,5-trimethoxyphenyl)-1-3-[(E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone"	49862041	"CHEMBL1208876; SCHEMBL12516937; SCHEMBL14760744; NSC750331; NSC-750331; 4-(3,5-trimethoxyphenyl)-1-3-[(E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750331	.	.	.	.	546.6	C30H30N2O8	105	897	4.1	40	1	8	11	"InChI=1S/C30H30N2O8/c1-35-24-12-18(13-25(36-2)28(24)39-5)10-11-23(33)19-8-7-9-21(14-19)32-17-22(31-30(32)34)20-15-26(37-3)29(40-6)27(16-20)38-4/h7-17H,1-6H3,(H,31,34)/b11-10+"	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=CC(=CC=C2)N3C=C(NC3=O)C4=CC(=C(C(=C4)OC)OC)OC	ROYJLAPNOPZWGK-ZHACJKMWSA-N
DG67230	"4-(4-methoxyphenyl)-1-3-[(E)-3-(3,5-trimethoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone"	49862042	"SCHEMBL2278436; SCHEMBL2278442; CHEMBL1208877; NSC750334; NSC-750334; 4-(4-methoxyphenyl)-1-3-[(E)-3-(3,5-trimethoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750334	.	.	.	.	486.5	C28H26N2O6	86.3	807	4.2	36	1	6	9	"InChI=1S/C28H26N2O6/c1-33-22-11-9-19(10-12-22)23-17-30(28(32)29-23)21-7-5-6-20(16-21)24(31)13-8-18-14-25(34-2)27(36-4)26(15-18)35-3/h5-17H,1-4H3,(H,29,32)/b13-8+"	COC1=CC=C(C=C1)C2=CN(C(=O)N2)C3=CC=CC(=C3)C(=O)/C=C/C4=CC(=C(C(=C4)OC)OC)OC	UTKPZWSWZNYVCD-MDWZMJQESA-N
DG67231	"4-phenyl-1-3-[(E)-3-(3,5-trimethoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone"	49862043	"SCHEMBL2275618; SCHEMBL2275621; CHEMBL1208878; NSC750330; NSC-750330; 4-phenyl-1-3-[(E)-3-(3,5-trimethoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750330	.	.	.	.	456.5	C27H24N2O5	77.1	761	4.2	34	1	5	8	"InChI=1S/C27H24N2O5/c1-32-24-14-18(15-25(33-2)26(24)34-3)12-13-23(30)20-10-7-11-21(16-20)29-17-22(28-27(29)31)19-8-5-4-6-9-19/h4-17H,1-3H3,(H,28,31)/b13-12+"	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=CC(=CC=C2)N3C=C(NC3=O)C4=CC=CC=C4	VCPJZPLCQNRARB-OUKQBFOZSA-N
DG67232	"4-(4-chlorophenyl)-1-3-[(E)-3-(3-hydroxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone"	49862080	"SCHEMBL2266929; CHEMBL1208937; SCHEMBL13823496; NSC749337; NSC-749337; 4-(4-chlorophenyl)-1-3-[(E)-3-(3-hydroxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749337	.	.	.	.	416.9	C24H17ClN2O3	69.6	699	4.6	30	2	3	5	"InChI=1S/C24H17ClN2O3/c25-19-10-8-17(9-11-19)22-15-27(24(30)26-22)20-5-2-4-18(14-20)23(29)12-7-16-3-1-6-21(28)13-16/h1-15,28H,(H,26,30)/b12-7+"	C1=CC(=CC(=C1)O)/C=C/C(=O)C2=CC(=CC=C2)N3C=C(NC3=O)C4=CC=C(C=C4)Cl	QNZNFNWPEPMEAV-KPKJPENVSA-N
DG67233	"1-3-[(E)-3-(3-hydroxyphenyl)-2-propenoyl]phenyl-4-phenyl-2,3-dihydro-1H-2-imidazolone"	49862081	"SCHEMBL2275661; SCHEMBL2275670; CHEMBL1208938; NSC749338; NSC-749338; 1-3-[(E)-3-(3-hydroxyphenyl)-2-propenoyl]phenyl-4-phenyl-2,3-dihydro-1H-2-imidazolone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749338	.	.	.	.	382.4	C24H18N2O3	69.6	665	3.9	29	2	3	5	"InChI=1S/C24H18N2O3/c27-21-11-4-6-17(14-21)12-13-23(28)19-9-5-10-20(15-19)26-16-22(25-24(26)29)18-7-2-1-3-8-18/h1-16,27H,(H,25,29)/b13-12+"	C1=CC=C(C=C1)C2=CN(C(=O)N2)C3=CC=CC(=C3)C(=O)/C=C/C4=CC(=CC=C4)O	PGIBHAZJSPMKRF-OUKQBFOZSA-N
DG67234	"5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole"	49865894	CHEMBL1224112; NSC748404; NSC-748404	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748404	.	.	.	.	342.4	C19H22N2O4	61.3	437	3.2	25	1	6	6	"InChI=1S/C19H22N2O4/c1-22-14-7-5-12(6-8-14)15-11-16(21-20-15)13-9-17(23-2)19(25-4)18(10-13)24-3/h5-10,15,20H,11H2,1-4H3"	COC1=CC=C(C=C1)C2CC(=NN2)C3=CC(=C(C(=C3)OC)OC)OC	KGCGIURDSZNLQS-UHFFFAOYSA-N
DG67235	"N-[4-({3-[(3,5-dimethoxyphenyl)amino]quinoxalin-2-yl}sulfamoyl)phenyl]-3-methoxy-4-methylbenzamide"	49867926	"XL765; 1349796-36-6; 1123889-87-1; XL-765; PI3K-IN-1; Voxtalisib Analogue; Voxtalisib-Analog; XL 765; XL765 Analogue; SAR245409 (XL765); N-[4-({3-[(3,5-dimethoxyphenyl)amino]quinoxalin-2-yl}sulfamoyl)phenyl]-3-methoxy-4-methylbenzamide; N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxy-4-methylbenzamide; N-(4-(N-(3-((3,5-dimethoxyphenyl)amino)quinoxalin-2-yl)sulfamoyl)phenyl)-3-methoxy-4-methylbenzamide; CHEBI:71958; Exelixis pI3K inhibitor; N-[4-[[[3-[(3,5-dimethoxyphenyl)amino]-2-quinoxalinyl]amino]sulfonyl]phenyl]-3-methoxy-4-methyl-benzamide; XL-147 derivative 1; CS-0230; Voxtalisib (SAR245409, XL765) Analogue; XL-765 ANALOGUE; MLS006011009; N-[2-[(3,5-Dimethoxyphenyl)amino]quinoxalin-3-yl]-4-[(4-methyl-3-methoxyphenyl)carbonyl]aminophenylsulfonamide; GTPL7964; SCHEMBL8739843; CHEMBL3349370; AOB2912; EX-A234; EX-A278; HMS3295O01; HMS3654D20; BCP02276; BCP32612; MFCD18252649; NSC755808; NSC768100; NSC800992; s1523; ZINC70471842; AKOS025401936; CCG-270195; NSC-755808; NSC-768100; NSC-800992; Voxtalisib (SAR245409, XL765); NCGC00346541-01; NCGC00346541-08; XL-765, SAR245409; AC-27422; AC-33163; DA-45835; HY-12068; LS-15306; SMR004702807; XL-765 (SAR245409); FT-0753985; FT-0761386; SW218114-2; X7418; A25640; A887772; J-006627; J-523311; BRD-K75308783-001-01-3; Q27089152; XL765;XL 765;SAR245409;SAR-245409;SAR 245409;Voxtalisib Analogue; N-[4-({[3-(3,5-Dimethoxyanilino)-2-quinoxalinyl]amino}sulfonyl)phenyl]-3-methoxy-4-methylbenzamide; N-[4-[[[3-[(3,5-dimethoxyphenyl)amino]-2-quinoxalinyl]amino]sulfonyl]phenyl]-3-methoxy-4-methyl-benzamide; ; ; SAR-245409; N-[4-[[[3-[(3,5-Dimethoxyphenyl)amino]-2-quinoxalinyl]amino]sulfonyl]phenyl]-3-methoxy-4-methylbenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768100	.	.	.	.	599.7	C31H29N5O6S	149	993	5.1	43	3	10	10	"InChI=1S/C31H29N5O6S/c1-19-9-10-20(15-28(19)42-4)31(37)33-21-11-13-25(14-12-21)43(38,39)36-30-29(34-26-7-5-6-8-27(26)35-30)32-22-16-23(40-2)18-24(17-22)41-3/h5-18H,1-4H3,(H,32,34)(H,33,37)(H,35,36)"	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC	HJSSPYJVWLTYHG-UHFFFAOYSA-N
DG67236	"4-(carboxymethyl)-2-((R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid"	49867936	"1201902-80-8; MLN9708; MLN-9708; 4-(carboxymethyl)-2-((R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid; MLN 9708; Ixazomib Citrate (MLN9708); 133876-92-3; 4-(carboxymethyl)-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid; CHEMBL1813256; 1,3,2-Dioxaborinane-4-acetic acid, 4-carboxy-2-((1R)-1-((2-((2,5-dichlorobenzoyl)amino)acetyl)amino)-3-methylbutyl)-6-oxo-; 4-(carboxymethyl)-2-[(1R)-1-{2-[(2,5-dichlorophenyl)formamido]acetamido}-3-methylbutyl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid; 1,3,2-Dioxaborinane-4-acetic acid, 4-carboxy-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-6-oxo-; C20H23BCl2N2O9; SCHEMBL4415508; MLN9708 (Ixazomib citrate)); DTXSID10152721; Ixazomib Citrate  (MLN-9708); BYB90280; EX-A2106; BDBM50462621; MFCD18251437; NSC758254; s2181; ixazomib citrate 1,3,2-dioxaborinane; AKOS015994885; ACN-041492; BCP9000957; CCG-264939; NSC-758254; NCGC00249612-01; NCGC00249612-06; 4-Carboxy-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-6-oxo-1,3,2-dioxaborinane-4-acetic acid; AC-32721; AS-75089; SW219744-1; X7548; C71684; J-514864; Q27277012; 4-(r,s)-(carboxymethyl)-2-((r)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid; 4-(RS)-(carboxymethyl)-2-((R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-6-oxo-1,3,2-dioxaborinane-4-carboxylic Acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758254	.	.	.	.	517.1	C20H23BCl2N2O9	168	815	.	34	4	9	10	"InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-17(29)8-20(34-21,19(31)32)7-16(27)28)25-15(26)9-24-18(30)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,30)(H,25,26)(H,27,28)(H,31,32)/t14-,20 /m0/s1"	B1(OC(=O)CC(O1)(CC(=O)O)C(=O)O)[C@H](CC(C)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)Cl)Cl	YTXSYWAKVMZICI-PVCZSOGJSA-N
DG67237	"13-(3,3-Diphenylpropyl)-5,6-dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium"	50899605	"CHEMBL3139987; NSC785285; NSC-785285; 13-(3,3-Diphenylpropyl)-5,6-dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785285	.	.	.	.	530.6	C35H32NO4+	40.8	793	7.8	40	0	4	7	"InChI=1S/C35H32NO4/c1-37-31-16-15-27-28(14-13-26(23-9-5-3-6-10-23)24-11-7-4-8-12-24)34-29-20-33-32(39-22-40-33)19-25(29)17-18-36(34)21-30(27)35(31)38-2/h3-12,15-16,19-21,26H,13-14,17-18,22H2,1-2H3/q+1"	COC1=C(C2=C[N+]3=C(C4=CC5=C(C=C4CC3)OCO5)C(=C2C=C1)CCC(C6=CC=CC=C6)C7=CC=CC=C7)OC	IAAALMLPFGQLFI-UHFFFAOYSA-N
DG67238	"5-(2-hydroxyethyl)-9-(3-methoxyphenyl)-6,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one"	50900735	"CHEMBL3338344; SCHEMBL18056668; NSC750717; NSC-750717; 5-(2-hydroxyethyl)-9-(3-methoxyphenyl)-6,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one; 9-(3-Methoxyphenyl)-5-(2-hydroxyethyl)-5,9-dihydro-1,3-dioxolo[4,5-g]furo[3,4-b]quinoline-8(6H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750717	.	.	.	.	381.4	C21H19NO6	77.5	651	2.2	28	1	7	4	"InChI=1S/C21H19NO6/c1-25-13-4-2-3-12(7-13)19-14-8-17-18(28-11-27-17)9-15(14)22(5-6-23)16-10-26-21(24)20(16)19/h2-4,7-9,19,23H,5-6,10-11H2,1H3"	COC1=CC=CC(=C1)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCO4	LJSYPLKJTXXEEK-UHFFFAOYSA-N
DG67239	"5-(2-hydroxyethyl)-9-phenyl-6,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one"	50900736	"CHEMBL3338345; SCHEMBL18056670; NSC750211; NSC-750211; 5-(2-hydroxyethyl)-9-phenyl-6,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one; 9-Phenyl-5-(2-hydroxyethyl)-5,9-dihydro-1,3-dioxolo[4,5-g]furo[3,4-b]quinoline-8(6H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750211	.	.	.	.	351.4	C20H17NO5	68.2	599	2.2	26	1	6	3	"InChI=1S/C20H17NO5/c22-7-6-21-14-9-17-16(25-11-26-17)8-13(14)18(12-4-2-1-3-5-12)19-15(21)10-24-20(19)23/h1-5,8-9,18,22H,6-7,10-11H2"	C1C2=C(C(C3=CC4=C(C=C3N2CCO)OCO4)C5=CC=CC=C5)C(=O)O1	MGBUUFXJDUAAKU-UHFFFAOYSA-N
DG67240	"9-(4-hydroxy-3,9-dihydro-[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one"	50900821	"SCHEMBL7150791; CHEMBL3338346; NSC750718; NSC-750718; 9-(4-hydroxy-3,9-dihydro-[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one; 9-(3,5-Dimethoxy-4-hydroxyphenyl)-5-(2-hydroxyethyl)-5,9-dihydro-1,3-dioxolo[4,5-g]furo[3,4-b]quinoline-8(6H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750718	.	.	.	.	427.4	C22H21NO8	107	714	1.8	31	2	9	5	"InChI=1S/C22H21NO8/c1-27-17-5-11(6-18(28-2)21(17)25)19-12-7-15-16(31-10-30-15)8-13(12)23(3-4-24)14-9-29-22(26)20(14)19/h5-8,19,24-25H,3-4,9-10H2,1-2H3"	COC1=CC(=CC(=C1O)OC)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCO4	KDRFYSQQLRPTPP-UHFFFAOYSA-N
DG67241	"4-(2-hydroxyethyl)-10-phenyl-3,6,7,8,10-hexahydro-1H-cyclopenta[g]furo[3,4-b]quinolin-1-one"	50900824	"CHEMBL3338352; NSC750213; NSC-750213; 10-Phenyl-4-(2-hydroxyethyl)-3,4,6,7,8,10-hexahydro-1H-2-oxa-4-azadicyclopenta[b,g]naphthalene-1-one; 4-(2-hydroxyethyl)-10-phenyl-3,6,7,8,10-hexahydro-1H-cyclopenta[g]furo[3,4-b]quinolin-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750213	.	.	.	.	347.4	C22H21NO3	49.8	594	3.2	26	1	4	3	"InChI=1S/C22H21NO3/c24-10-9-23-18-12-16-8-4-7-15(16)11-17(18)20(14-5-2-1-3-6-14)21-19(23)13-26-22(21)25/h1-3,5-6,11-12,20,24H,4,7-10,13H2"	C1CC2=CC3=C(C=C2C1)N(C4=C(C3C5=CC=CC=C5)C(=O)OC4)CCO	ZKKWNFUBKHRUMT-UHFFFAOYSA-N
DG67242	"11-(3,4,5-Trimethoxyphenyl)-4-(2-hydroxyethyl)-4,7,8,11-tetrahydro-3H-2,6,9-trioxa-4-aza-1H-cyclopenta[b]anthracene-1-one"	50900825	"CHEMBL3338358; NSC750720; NSC-750720; 11-(3,4,5-Trimethoxyphenyl)-4-(2-hydroxyethyl)-4,7,8,11-tetrahydro-3H-2,6,9-trioxa-4-aza-1H-cyclopenta[b]anthracene-1-one; 6-(2-hydroxyethyl)-10-(3,5-trimethoxyphenyl)-2,3,7,10-tetrahydro-[1,4]dioxino[2,3-g]furo[3,4-b]quinolin-9(6H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750720	.	.	.	.	455.5	C24H25NO8	95.9	745	2	33	1	9	6	"InChI=1S/C24H25NO8/c1-28-19-8-13(9-20(29-2)23(19)30-3)21-14-10-17-18(32-7-6-31-17)11-15(14)25(4-5-26)16-12-33-24(27)22(16)21/h8-11,21,26H,4-7,12H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCCO4	QZKWJWJZWYRWMR-UHFFFAOYSA-N
DG67243	"10-(3,3,7,10-tetrahydro-[1,4]dioxino[2,3-g]furo[3,4-b]quinolin-9(6H)-one"	50900826	"CHEMBL3338359; NSC750721; NSC-750721; 10-(3,3,7,10-tetrahydro-[1,4]dioxino[2,3-g]furo[3,4-b]quinolin-9(6H)-one; 11-(3,4-Dimethoxyphenyl)-4-(2-hydroxyethyl)-4,7,8,11-tetrahydro-3H-2,6,9-trioxa-4-aza-1H-cyclopenta[b]anthracene-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750721	.	.	.	.	425.4	C23H23NO7	86.7	712	2.1	31	1	8	5	"InChI=1S/C23H23NO7/c1-27-17-4-3-13(9-18(17)28-2)21-14-10-19-20(30-8-7-29-19)11-15(14)24(5-6-25)16-12-31-23(26)22(16)21/h3-4,9-11,21,25H,5-8,12H2,1-2H3"	COC1=C(C=C(C=C1)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCCO4)OC	LQMJEUZRRGSDKY-UHFFFAOYSA-N
DG67244	"11-(3-Methoxyphenyl)-4-(2-hydroxyethyl)-4,7,8,11-tetrahydro-3H-2,6,9-trioxa-4-aza-1H-cyclopenta[b]anthracene-1-one"	50900910	"CHEMBL3338360; NSC750722; NSC-750722; 11-(3-Methoxyphenyl)-4-(2-hydroxyethyl)-4,7,8,11-tetrahydro-3H-2,6,9-trioxa-4-aza-1H-cyclopenta[b]anthracene-1-one; 6-(2-hydroxyethyl)-10-(3-methoxyphenyl)-2,7,10-tetrahydro-[1,4]dioxino[2,3-g]furo[3,4-b]quinolin-9(6H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750722	.	.	.	.	395.4	C22H21NO6	77.5	666	2.1	29	1	7	4	"InChI=1S/C22H21NO6/c1-26-14-4-2-3-13(9-14)20-15-10-18-19(28-8-7-27-18)11-16(15)23(5-6-24)17-12-29-22(25)21(17)20/h2-4,9-11,20,24H,5-8,12H2,1H3"	COC1=CC=CC(=C1)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCCO4	LFLKZTIFAOFDNF-UHFFFAOYSA-N
DG67245	"11-Phenyl-4-(2-hydroxyethyl)-4,7,8,11-tetrahydro-3H-2,6,9-trioxa-4-aza-1H-cyclopenta[b]anthracene-1-one"	50900911	"CHEMBL3338361; NSC750723; NSC-750723; 11-Phenyl-4-(2-hydroxyethyl)-4,7,8,11-tetrahydro-3H-2,6,9-trioxa-4-aza-1H-cyclopenta[b]anthracene-1-one; 6-(2-hydroxyethyl)-10-phenyl-2,7,10-tetrahydro-[1,4]dioxino[2,3-g]furo[3,4-b]quinolin-9(6H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750723	.	.	.	.	365.4	C21H19NO5	68.2	614	2.1	27	1	6	3	"InChI=1S/C21H19NO5/c23-7-6-22-15-11-18-17(25-8-9-26-18)10-14(15)19(13-4-2-1-3-5-13)20-16(22)12-27-21(20)24/h1-5,10-11,19,23H,6-9,12H2"	C1COC2=C(O1)C=C3C(C4=C(COC4=O)N(C3=C2)CCO)C5=CC=CC=C5	CXXCBXYIACNDLN-UHFFFAOYSA-N
DG67247	"(E)-3-(6-(thiophen-2-yl)imidazo[2,4,5-trimethoxyphenyl)prop-2-en-1-one"	50908742	"NSC750743; NSC-750743; (E)-3-(6-(thiophen-2-yl)imidazo[2,4,5-trimethoxyphenyl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750743	.	.	.	.	426.5	C21H18N2O4S2	119	593	5	29	0	7	7	"InChI=1S/C21H18N2O4S2/c1-25-16-11-13(12-17(26-2)20(16)27-3)15(24)7-6-14-19(18-5-4-9-28-18)22-21-23(14)8-10-29-21/h4-12H,1-3H3/b7-6+"	COC1=CC(=CC(=C1OC)OC)C(=O)/C=C/C2=C(N=C3N2C=CS3)C4=CC=CS4	OASOYSSGCAOVFK-VOTSOKGWSA-N
DG67250	Metarrestin	50985821	"Metarrestin; 1443414-10-5; ML-246; UNII-Q6A9F9DSX5; Q6A9F9DSX5; MLS003678589; SMR002357104; 4-(7-benzyl-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl)cyclohexan-1-ol; Metarrestin (KUC109088N); KSC-212-20-P; (1r,4r)-4-(7-benzyl-4-imino-5,6-diphenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-yl)cyclohexanol; trans-4-(7-Benzyl-4-imino-5,6-diphenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-yl)cyclohexan-1-ol; Metarrestin (ML246); CHEMBL4594433; SCHEMBL15037996; SCHEMBL16193899; SCHEMBL18895903; KUC109037N; KUC109088N; KUC110052N; ML246ML246; EX-A3480; NSC766813; s3472; KUC109037N-02; KUC109088N-02; KUC109088N-03; NSC-766813; NCGC00247785-01; NCGC00247785-05; BM166959; KSC-212-98-1; KSC-251-95-1; KSC-251-137-3; HY-120118; CS-0069520; J3.616.158B; trans-4-(7-benzyl-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl)cyclohexan-1-ol; Cyclohexanol, 4-(4,7-dihydro-4-imino-5,6-diphenyl-7-(phenylmethyl)-3H-pyrrolo(2,3-d)pyrimidin-3-yl)-, trans-; trans-4-(4,7-Dihydro-4-imino-5,6-diphenyl-7-(phenylmethyl)-3H-pyrrolo(2,3-d)pyrimidin-3-yl)cyclohexanol; trans-4-(7-benzyl-4-imino-5,6-diphenyl-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-3-yl) cyclohexanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766813	.	.	.	.	474.6	C31H30N4O	64.599	759	5.6	36	2	3	5	"InChI=1S/C31H30N4O/c32-30-28-27(23-12-6-2-7-13-23)29(24-14-8-3-9-15-24)34(20-22-10-4-1-5-11-22)31(28)33-21-35(30)25-16-18-26(36)19-17-25/h1-15,21,25-26,32,36H,16-20H2"	C1CC(CCC1N2C=NC3=C(C2=N)C(=C(N3CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)O	WSMXAUJFLWRPNT-UHFFFAOYSA-N
DG67251	(2E)-2-[(4-chlorophenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride	50988453	CHEMBL2006476; NSC639517; NSC-639517	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639517	.	.	.	.	342.3	C17H21Cl2NO2	29.5	396	.	22	1	3	3	"InChI=1S/C17H20ClNO2.ClH/c18-16-5-1-13(2-6-16)11-14-3-4-15(17(14)20)12-19-7-9-21-10-8-19;/h1-2,5-6,11,15H,3-4,7-10,12H2;1H/b14-11+;"	C1C/C(=C\\C2=CC=C(C=C2)Cl)/C(=O)C1CN3CCOCC3.Cl	QPCHSZRRKHSPFF-JHGYPSGKSA-N
DG67252	"(2E)-2-[(3,4-dichlorophenyl)methylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride"	50988456	CHEMBL1988029; NSC639519; NSC-639519	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639519	.	.	.	.	334.7	C15H18Cl3NO	20.3	367	.	20	1	2	3	"InChI=1S/C15H17Cl2NO.ClH/c1-18(2)9-12-5-4-11(15(12)19)7-10-3-6-13(16)14(17)8-10;/h3,6-8,12H,4-5,9H2,1-2H3;1H/b11-7+;"	CN(C)CC1CC/C(=C\\C2=CC(=C(C=C2)Cl)Cl)/C1=O.Cl	WJNHVSUISWVSLV-RVDQCCQOSA-N
DG67253	[4-[(E)-[3-[(dimethylamino)methyl]-2-oxocyclopentylidene]methyl]phenoxy]methyl propanoate;hydrochloride	50988761	CHEMBL2004318; NSC639514; NSC-639514	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639514	.	.	.	.	367.9	C19H26ClNO4	55.8	464	.	25	1	5	8	"InChI=1S/C19H25NO4.ClH/c1-4-18(21)24-13-23-17-9-5-14(6-10-17)11-15-7-8-16(19(15)22)12-20(2)3;/h5-6,9-11,16H,4,7-8,12-13H2,1-3H3;1H/b15-11+;"	CCC(=O)OCOC1=CC=C(C=C1)/C=C/2\\CCC(C2=O)CN(C)C.Cl	MORPKCHZPIUPET-KRWCAOSLSA-N
DG67254	(2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride	50988763	CHEMBL1989503; NSC639986; NSC-639986	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639986	.	.	.	.	273.8	C14H24ClNO2	29.5	316	.	18	1	3	3	"InChI=1S/C14H23NO2.ClH/c1-3-11(2)13-5-4-12(14(13)16)10-15-6-8-17-9-7-15;/h12H,3-10H2,1-2H3;1H/b13-11+;"	CC/C(=C/1\\CCC(C1=O)CN2CCOCC2)/C.Cl	UHKKWYDYVDKPGS-BNSHTTSQSA-N
DG67255	(2E)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride	50988775	CHEMBL1976091; NSC639512; NSC-639512	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639512	.	.	.	.	337.8	C18H24ClNO3	38.8	407	.	23	1	4	4	"InChI=1S/C18H23NO3.ClH/c1-21-17-6-2-14(3-7-17)12-15-4-5-16(18(15)20)13-19-8-10-22-11-9-19;/h2-3,6-7,12,16H,4-5,8-11,13H2,1H3;1H/b15-12+;"	COC1=CC=C(C=C1)/C=C/2\\CCC(C2=O)CN3CCOCC3.Cl	ARWVGTNXBOJEJT-JRUHLWALSA-N
DG67256	2-[(E)-(3-fluoro-4-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid	50989442	CHEMBL1994779; NSC646098; NSC-646098	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646098	.	.	.	.	398.4	C16H19FN4O5S	155	479	.	27	4	8	5	"InChI=1S/C9H11FN4O2.C7H8O3S/c1-16-8-3-2-6(4-7(8)10)5-12-13-9(11)14-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,15H,1H3,(H3,11,13,14);2-5H,1H3,(H,8,9,10)/b12-5+;"	CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=C(C=C1)/C=N/N=C(\\N)/NO)F	UVFJJGDYLZOYSF-NKPNRJPBSA-N
DG67257	1-hydroxy-2-[(E)-(2-methoxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid	50990865	SCHEMBL916992; CHEMBL1973591; NSC646109; NSC-646109	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646109	.	.	.	.	380.4	C16H20N4O5S	155	449	.	26	4	7	5	"InChI=1S/C9H12N4O2.C7H8O3S/c1-15-8-5-3-2-4-7(8)6-11-12-9(10)13-14;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,14H,1H3,(H3,10,12,13);2-5H,1H3,(H,8,9,10)/b11-6+;"	CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=CC=C1/C=N/N=C(\\N)/NO	QNNJJKUOBDWCNW-ICSBZGNSSA-N
DG67260	"(4-methoxyphenyl)-(4,5,6-trimethoxy-1H-indol-2-yl)methanone"	51032645	CHEMBL1651915; NSC748399; NSC-748399	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748399	.	.	.	.	341.4	C19H19NO5	69.8	451	3.6	25	1	5	6	"InChI=1S/C19H19NO5/c1-22-12-7-5-11(6-8-12)17(21)15-9-13-14(20-15)10-16(23-2)19(25-4)18(13)24-3/h5-10,20H,1-4H3"	COC1=CC=C(C=C1)C(=O)C2=CC3=C(C(=C(C=C3N2)OC)OC)OC	DEINVPDAEWSYMQ-UHFFFAOYSA-N
DG67261	3-amino-N-(4-benzylphenyl)-5-chloro-1H-indazole-1-carboxamide	51033073	3-amino-N-(4-benzylphenyl)-5-chloro-1H-indazole-1-carboxamide; CHEMBL1652180; NSC749550; NSC-749550	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749550	.	.	.	.	376.8	C21H17ClN4O	72.9	504	5	27	2	3	3	"InChI=1S/C21H17ClN4O/c22-16-8-11-19-18(13-16)20(23)25-26(19)21(27)24-17-9-6-15(7-10-17)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H2,23,25)(H,24,27)"	C1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)N3C4=C(C=C(C=C4)Cl)C(=N3)N	BXYYLMAKXXHANI-UHFFFAOYSA-N
DG67262	"4-(4-cyano-2-fluorophenyl)-2-morpholino-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile"	51033720	"PF-4989216; 1276553-09-3; 4-(4-cyano-2-fluorophenyl)-2-morpholino-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile; CHEMBL2017654; 4-(4-cyano-2-fluorophenyl)-2-morpholin-4-yl-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile; PF4989216; SCHEMBL20768081; BBC55309; BCP15976; EX-A2310; BDBM50380321; NSC777877; s7675; ZINC84619044; CCG-268405; CS-5205; NSC-777877; NCGC00475739-02; HY-13864; B5948; PF 4989216; A921978"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777877	.	.	.	.	380.4	C18H13FN6OS	130	628	2.6	27	1	8	3	"InChI=1S/C18H13FN6OS/c19-14-7-11(8-20)1-2-12(14)15-13(9-21)18(25-3-5-26-6-4-25)27-16(15)17-22-10-23-24-17/h1-2,7,10H,3-6H2,(H,22,23,24)"	C1COCCN1C2=C(C(=C(S2)C3=NC=NN3)C4=C(C=C(C=C4)C#N)F)C#N	MUENOTXSRZEFJV-UHFFFAOYSA-N
DG67266	"5-methyl-N-(4-piperidin-1-ylphenyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine;chloride"	51051406	NSC-748394; CHEMBL1289828; NSC748394	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748394	.	.	.	.	443	C27H27ClN4	34.9	596	.	32	2	3	3	"InChI=1S/C27H26N4.ClH/c1-30-24-12-6-4-10-22(24)25(26-27(30)21-9-3-5-11-23(21)29-26)28-19-13-15-20(16-14-19)31-17-7-2-8-18-31;/h3-6,9-16H,2,7-8,17-18H2,1H3,(H,28,29);1H"	C[N+]1=C2C3=CC=CC=C3NC2=C(C4=CC=CC=C41)NC5=CC=C(C=C5)N6CCCCC6.[Cl-]	KKTYQIZMCZOJPP-UHFFFAOYSA-N
DG67267	"4-[(E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-methylpyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;iodide"	51062575	NSC343231; NSC-343231	.	.	Investigative Drug(s)	Investigative	Small molecular drug	343231	.	.	.	.	511.4	C26H30IN3	10.4	522	.	30	0	3	6	"InChI=1S/C26H30N3.HI/c1-27(2)24-13-8-21(9-14-24)6-7-23-18-19-29(5)26(20-23)17-12-22-10-15-25(16-11-22)28(3)4;/h6-20H,1-5H3;1H/q+1;/p-1"	C[N+]1=C(C=C(C=C1)/C=C/C2=CC=C(C=C2)N(C)C)/C=C/C3=CC=C(C=C3)N(C)C.[I-]	HCIKQMMYJWBWCY-UHFFFAOYSA-M
DG67268	"(E)-3-(6-(4-methoxyphenyl)-2-methylimidazo [2,4,5-trimethoxyphenyl) prop-2-en-1-one"	51353353	"SCHEMBL12709807; SCHEMBL13388504; NSC750742; NSC-750742; (E)-3-(6-(4-methoxyphenyl)-2-methylimidazo [2,4,5-trimethoxyphenyl) prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750742	.	.	.	.	464.5	C25H24N2O5S	99.5	672	5.6	33	0	7	8	"InChI=1S/C25H24N2O5S/c1-15-14-27-19(23(26-25(27)33-15)16-6-8-18(29-2)9-7-16)10-11-20(28)17-12-21(30-3)24(32-5)22(13-17)31-4/h6-14H,1-5H3/b11-10+"	CC1=CN2C(=C(N=C2S1)C3=CC=C(C=C3)OC)/C=C/C(=O)C4=CC(=C(C(=C4)OC)OC)OC	BZNCCKCOVXYWGE-ZHACJKMWSA-N
DG67269	"(E)-3-[6-(4-fluorophenyl)-2-methylimidazo[2,3]thiazol-5-yl]-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one"	51353357	"SCHEMBL12709788; SCHEMBL13388473; NSC749804; NSC-749804; (E)-3-[6-(4-fluorophenyl)-2-methylimidazo[2,3]thiazol-5-yl]-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749804	.	.	.	.	452.5	C24H21FN2O4S	90.3	660	5.7	32	0	7	7	"InChI=1S/C24H21FN2O4S/c1-14-13-27-18(22(26-24(27)32-14)15-5-7-17(25)8-6-15)9-10-19(28)16-11-20(29-2)23(31-4)21(12-16)30-3/h5-13H,1-4H3/b10-9+"	CC1=CN2C(=C(N=C2S1)C3=CC=C(C=C3)F)/C=C/C(=O)C4=CC(=C(C(=C4)OC)OC)OC	OKCSEIZNHKOFSY-MDZDMXLPSA-N
DG67270	"(E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one"	51353472	"SCHEMBL12709747; SCHEMBL13388056; NSC749802; NSC-749802; (E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749802	.	.	.	.	382.4	C17H13F3N2O3S	81.1	546	4.5	26	0	8	5	"InChI=1S/C17H13F3N2O3S/c1-24-13-6-3-10(9-14(13)25-2)12(23)5-4-11-15(17(18,19)20)21-16-22(11)7-8-26-16/h3-9H,1-2H3/b5-4+"	COC1=C(C=C(C=C1)C(=O)/C=C/C2=C(N=C3N2C=CS3)C(F)(F)F)OC	YFHAPMJANPJPAS-SNAWJCMRSA-N
DG67271	3-(3-chloro-5-methoxyphenyl)-N-(2-(4-methylpiperazin-1-yl)ethyl)-4-(pyridin-4-yl)-1H-pyrazole-1-carboxamide	51358119	NSC752879; NSC-752879; 3-(3-chloro-5-methoxyphenyl)-N-(2-(4-methylpiperazin-1-yl)ethyl)-4-(pyridin-4-yl)-1H-pyrazole-1-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752879	.	.	.	.	455	C23H27ClN6O2	75.5	599	2.6	32	1	6	6	"InChI=1S/C23H27ClN6O2/c1-28-9-11-29(12-10-28)8-7-26-23(31)30-16-21(17-3-5-25-6-4-17)22(27-30)18-13-19(24)15-20(14-18)32-2/h3-6,13-16H,7-12H2,1-2H3,(H,26,31)"	CN1CCN(CC1)CCNC(=O)N2C=C(C(=N2)C3=CC(=CC(=C3)Cl)OC)C4=CC=NC=C4	KOTQSPVARCRODJ-UHFFFAOYSA-N
DG67272	Sphaeropsidin A	51361447	"SPHAEROPSIDIN A; UNII-9F59Q9OS1I; 9F59Q9OS1I; CHEBI:69494; LL-S491beta; Antibiotic LL-S491beta; Sphaeropsidin A, (+)-; MLS003373242; CHEMBL1834675; NSC765878; NSC-765878; SMR002047999; Q27137833; (2R,4aR,4bR,8aS,9S)-4a,9-dihydroxy-2,8,8-trimethyl-2-vinyl-4,4a,5,6,7,8,8a,9-octahydro-2H-9,4b-(epoxymethano)phenanthrene-10,12(3H)-dione; (4aR,4bR,7R,10S,10aS)-7-Ethenyl-1,2,3,4,4b,5,6,7,10,10a-decahydro-4b,10-dihydroxy-1,1,7-trimethyl-9H-10,4a-(epoxymethano)phenanthrene-9,12-dione; 38991-80-9; 9H-10,4a-(Epoxymethano)phenanthrene-9,12-dione, 7-ethenyl-1,2,3,4,4b,5,6,7,10,10a-decahydro-4b,10-dihydroxy-1,1,7-trimethyl-, (4aR,4bR,7R,10S,10aS)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765878	.	.	.	.	346.4	C20H26O5	83.8	736	2.6	25	2	5	1	"InChI=1S/C20H26O5/c1-5-17(4)9-10-19(23)12(11-17)13(21)20(24)14-16(2,3)7-6-8-18(14,19)15(22)25-20/h5,11,14,23-24H,1,6-10H2,2-4H3/t14-,17-,18-,19+,20+/m0/s1"	C[C@@]1(CC[C@]2(C(=C1)C(=O)[C@@]3([C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)O)O)C=C	FEKFUWWVNCCROX-SQWSIXGCSA-N
DG67273	Pharmakon1600-01503875	51371311	NSC-759894; HMS3264D05; HMS3264F14; Pharmakon1600-01503875; NSC759894; CCG-213230	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759894	.	.	.	.	298.42	C16H30N2O3	86.8	376	.	21	3	4	4	"InChI=1S/C14H23NO2.C2H7NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;1-2(3)4/h6,8,11,17H,7,9H2,1-5H3;2,4H,3H2,1H3"	CC1=CC(=O)N(C(=C1)CC(C)CC(C)(C)C)O.CC(N)O	JUAUJJPBJGQPET-UHFFFAOYSA-N
DG67274	"4-[(2s,4r)-1-Acetyl-4-[(4-Chlorophenyl)amino]-2-Methyl-1,2,3,4-Tetrahydroquinolin-6-Yl]benzoic Acid"	52912222	"GSK1324726A; 1300031-52-0; I-BET-726; CHEMBL2177300; 4-[(2s,4r)-1-Acetyl-4-[(4-Chlorophenyl)amino]-2-Methyl-1,2,3,4-Tetrahydroquinolin-6-Yl]benzoic Acid; 4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoic acid; 4-((2S,4R)-1-Acetyl-4-((4-chlorophenyl)amino)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)benzoic acid; C25H23ClN2O3; GSK1324726A (I-BET726); GSK-1324726A; 4bjx; 4uyf; 4uyg; 4-{(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid; 73B; SCHEMBL1906368; AOB87104; EX-A2221; 2444AH; BDBM50028142; GSK 1324726A; MFCD28144683; NSC782763; s7620; ZINC95504909; CCG-269073; CS-1730; NSC-782763; GSK1324726A; I-BET726; NCGC00356069-06; AS-74777; Benzoic acid, 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-1,2,3,4-tetrahydro-2-methyl-6-quinolinyl]-; HY-13960; F51001; A925677; Q27456649; 4-((2S,4R)-1-Acetyl-4-(4-chlorophenylamino)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)benzoic acid; 4-{(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydro-6-quinolinyl}benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782763	.	.	.	.	434.9	C25H23ClN2O3	69.6	643	5.1	31	2	4	4	"InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1"	C[C@H]1C[C@H](C2=C(N1C(=O)C)C=CC(=C2)C3=CC=C(C=C3)C(=O)O)NC4=CC=C(C=C4)Cl	FAWSUKOIROHXAP-NPMXOYFQSA-N
DG67275	Azd-8186	52913813	"AZD8186; 1627494-13-6; AZD-8186; AIQ4OWD0RA; UNII-AIQ4OWD0RA; CHEMBL3408248; AZD 8186; (R)-8-(1-((3,5-difluorophenyl)amino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide; 8-[(1R)-1-[(3,5-Difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(4-morpholinyl)-4-oxo-4H-1-benzopyran-6-carboxamide; 8-[(1R)-1-[(3,5-difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(morpholin-4-yl)-4-oxo-4H-chromene-6-carboxamide; 1296270-45-5; 4H-1-Benzopyran-6-carboxamide, 8-((1R)-1-((3,5-difluorophenyl)amino)ethyl)-N,N-dimethyl-2-(4-morpholinyl)-4-oxo-; 4H-1-Benzopyran-6-carboxamide, 8-[(1R)-1-[(3,5-difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(4-morpholinyl)-4-oxo-; GTPL8527; SCHEMBL1636956; AMY16571; EX-A1649; BDBM50070322; MFCD27987908; NSC777572; NSC799352; s7694; AKOS025404922; ZINC116734639; ACN-037528; CCG-269309; CS-4975; DB15029; NSC-777572; NSC-799352; NCGC00475728-03; AC-29024; AS-74971; HY-12330; B5950; A14164; A882803; Q27074798; ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (AZD8186); (R)-8-(1-(3,5-difluorophenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777572	.	.	.	.	457.5	C24H25F2N3O4	71.1	748	3	33	1	8	5	"InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1"	C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F	LMJFJIDLEAWOQJ-CQSZACIVSA-N
DG67276	3-Amino-6-[4-[[2-(dimethylamino)-1-methylethyl]sulfonyl]phenyl]-N-phenyl-2-pyrazinecarboxamide	52915004	"1286238-55-8; 3-Amino-6-[4-[[2-(dimethylamino)-1-methylethyl]sulfonyl]phenyl]-N-phenyl-2-pyrazinecarboxamide; CHEMBL1766797; 3-amino-6-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide; 2-Pyrazinecarboxamide, 3-amino-6-[4-[[2-(dimethylamino)-1-methylethyl]sulfonyl]phenyl]-N-phenyl-; 2-Pyrazinecarboxamide,3-amino-6-[4-[[2-(dimethylamino)-1-methylethyl]sulfonyl]phenyl]-N-phenyl-; VECompound45; SCHEMBL19127433; BDBM50341751; NSC761693; NSC-761693; 2-Pyrazinecarboxamide,3-amino-6-[4-[[2-(dimethylamino)-1-methyl-ethyl]sulfonyl]phenyl]-N-phenyl-; 3-amino-6-(4-((1-(dimethylamino)propan-2-yl)sulfonyl)-phenyl)-N-phenylpyrazine-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761693	.	.	.	.	439.5	C22H25N5O3S	127	682	2.5	31	2	7	7	"InChI=1S/C22H25N5O3S/c1-15(14-27(2)3)31(29,30)18-11-9-16(10-12-18)19-13-24-21(23)20(26-19)22(28)25-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H2,23,24)(H,25,28)"	CC(CN(C)C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	GNEFGLFGNKFHAR-UHFFFAOYSA-N
DG67277	"(5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,25-triol 3-bromoacetate"	52918025	"CHEMBL1761066; NSC810423; NSC-810423; (5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,25-triol 3-bromoacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	810423	.	.	.	.	537.6	C29H45BrO4	66.8	813	6.4	34	2	4	9	"InChI=1S/C29H45BrO4/c1-19(8-6-14-28(3,4)33)24-12-13-25-21(9-7-15-29(24,25)5)10-11-22-16-23(34-27(32)18-30)17-26(31)20(22)2/h10-11,19,23-26,31,33H,2,6-9,12-18H2,1,3-5H3/b21-10+,22-11-/t19-,23-,24-,25+,26+,29-/m1/s1"	C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\\2[C@@]1(CCC/C2=C\\C=C/3\\C[C@H](C[C@@H](C3=C)O)OC(=O)CBr)C	SLFLGLKEAANGNN-RBDVLXGPSA-N
DG67279	Sulfatinib	52920501	"Sulfatinib; 1308672-74-3; surufatinib; N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide; HMPL-012; KDR-IN-1; HMPL012; UNII-B2K5L1L8S9; B2K5L1L8S9; 1816307-67-1; N-[2-(dimethylamino)ethyl]-1-[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide; Sulanda; Benzenemethanesulfonamide, N-(2-(dimethylamino)ethyl)-3-((4-((2-methyl-1H-indol-5-yl)oxy)-2-pyrimidinyl)amino)-; Benzenemethanesulfonamide, N-[2-(dimethylamino)ethyl]-3-[[4-[(2-methyl-1H-indol-5-yl)oxy]-2-pyrimidinyl]amino]-; N-[2-(dimethylamino)ethyl]-1-[3-({4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl}amino)phenyl]methanesulfonamide; Surufatinib [INN]; Surufatinib [USAN]; Sulfatinib [WHO-DD]; Sulfatinib; HMPL-012; GTPL9769; SCHEMBL1822601; CHEMBL4297190; BCP14757; EX-A2524; NSC797937; WHO 10349; AKOS030632837; ZINC117218067; CS-5949; DB15106; NSC-797937; AS-74954; HMPL-012;HMPL 012;HMPL012; HY-12297; VEGFR2 inhibitor [WO2011060746]; D71057; A926546; N-(2-(dimethylamino) ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797937	.	.	.	.	480.6	C24H28N6O3S	121	733	3.4	34	3	8	10	"InChI=1S/C24H28N6O3S/c1-17-13-19-15-21(7-8-22(19)27-17)33-23-9-10-25-24(29-23)28-20-6-4-5-18(14-20)16-34(31,32)26-11-12-30(2)3/h4-10,13-15,26-27H,11-12,16H2,1-3H3,(H,25,28,29)"	CC1=CC2=C(N1)C=CC(=C2)OC3=NC(=NC=C3)NC4=CC=CC(=C4)CS(=O)(=O)NCCN(C)C	TTZSNFLLYPYKIL-UHFFFAOYSA-N
DG67280	NSC781009	52938482	"(2'R,3S,4'S,5'R)-6-Chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1,2-dihydro-N-(trans-4-hydroxycyclohexyl)-2-oxospiro[3H-indole-3,3'-pyrrolidine]-5'-carboxamide; MI-773; 1303607-07-9; (2'R,3S,4'S,5'R)-6-Chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1,2-dihydro-N-(trans-4-hydroxycyclohexyl)-2-oxospiro[3H-indole-3,3'-pyrrolidine]-5'-carboxamide; C29H34Cl2FN3O3; SCHEMBL6882778; CHEMBL3986239; CHEMBL4537826; SCHEMBL15214439; SCHEMBL15214524; SCHEMBL15214577; SCHEMBL20360344; BDBM119713; (2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-N-((1r,4R)-4-hydroxycyclohexyl)-2'-neopentyl-2-oxospiro[indoline-3,3'-pyrrolidine]-5'-carboxamide; NSC781009; ZINC253387883; NSC-781009; HY-17493; X3770; US8680132, MI- 773; A14423; P14644; (2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-(4-hydroxycyclohexyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide; (2R,3S,4S,5R)-6-CHLORO-4-(3-CHLORO-2-FLUOROPHENYL)-N-((1R,4R)-4-HYDROXYCYCLOHEXYL)-2-NEOPENTYL-2-OXOSPIRO[INDOLINE-3,3-PYRROLIDINE]-5-CARBOXAMIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781009	.	.	.	.	562.5	C29H34Cl2FN3O3	90.5	895	5.3	38	4	5	5	"InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16 ,17 ,22-,23+,25-,29+/m1/s1"	CC(C)(C)C[C@@H]1[C@]2([C@H]([C@@H](N1)C(=O)NC3CCC(CC3)O)C4=C(C(=CC=C4)Cl)F)C5=C(C=C(C=C5)Cl)NC2=O	IDKAKZRYYDCJDU-YJRDPZTCSA-N
DG67282	NSC756161	53239942	"[(3R,5S)-5-[2-[4-[[1-[(2,5-difluorophenyl)methyl]indol-5-yl]amino]thieno[3,2-d]pyrimidin-6-yl]ethynyl]pyrrolidin-3-yl] morpholine-4-carboxylate; SCHEMBL6237056; CHEMBL1963561; NSC756161; NSC-756161; AB01092391-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756161	.	.	.	.	614.7	C32H28F2N6O3S	122	1070	4.6	44	2	10	7	"InChI=1S/C32H28F2N6O3S/c33-22-1-5-27(34)21(13-22)18-40-8-7-20-14-24(3-6-29(20)40)38-31-30-28(36-19-37-31)16-26(44-30)4-2-23-15-25(17-35-23)43-32(41)39-9-11-42-12-10-39/h1,3,5-8,13-14,16,19,23,25,35H,9-12,15,17-18H2,(H,36,37,38)/t23-,25-/m1/s1"	C1COCCN1C(=O)O[C@@H]2C[C@H](NC2)C#CC3=CC4=C(S3)C(=NC=N4)NC5=CC6=C(C=C5)N(C=C6)CC7=C(C=CC(=C7)F)F	MQEINKICQAEAMJ-ILBGXUMGSA-N
DG67283	"GSK screening, 25"	53239965	"GSK screening, 25; CHEMBL1963560; SCHEMBL17214553; BDBM153733; NSC756182; NSC-756182; AB01092252-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756182	.	.	.	.	411.5	C20H25N7O3	137	665	0.1	30	3	9	7	"InChI=1S/C20H25N7O3/c1-4-27-17-14(29-11-12-6-5-9-22-12)10-23-13(7-8-20(2,3)28)15(17)24-19(27)16-18(21)26-30-25-16/h10,12,22,28H,4-6,9,11H2,1-3H3,(H2,21,26)/t12-/m0/s1"	CCN1C2=C(C(=NC=C2OC[C@@H]3CCCN3)C#CC(C)(C)O)N=C1C4=NON=C4N	BKDRXZKRHMEDHE-LBPRGKRZSA-N
DG67284	NSC756157	53239988	"3-[[2-[[1-[2-(dimethylamino)acetyl]-6-methoxy-3,4-dihydro-2H-quinolin-7-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-2-carboxamide; GSK2220400A; CHEMBL1895450; SCHEMBL13393732; HMS3304C01; HMS3305I05; NSC756157; NSC-756157; NCGC00242237-01; AB01092331-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756157	.	.	.	.	529.6	C27H31N9O3	140	847	3.3	39	4	9	8	"InChI=1S/C27H31N9O3/c1-28-26(38)23-18(8-5-10-29-23)31-25-17-9-11-30-24(17)33-27(34-25)32-19-14-20-16(13-21(19)39-4)7-6-12-36(20)22(37)15-35(2)3/h5,8-11,13-14H,6-7,12,15H2,1-4H3,(H,28,38)(H3,30,31,32,33,34)"	CNC(=O)C1=C(C=CC=N1)NC2=NC(=NC3=C2C=CN3)NC4=C(C=C5CCCN(C5=C4)C(=O)CN(C)C)OC	OBMZKUNRGPCSLT-UHFFFAOYSA-N
DG67285	Nvp-cgm097	53240420	"NVP-CGM097; 1313363-54-0; CGM097; CGM-097; CGM 097; UNII-4UF6MSL0ZH; 4UF6MSL0ZH; NVP-CGM-097; (1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one; (S)-1-(4-Chlorophenyl)-7-Isopropoxy-6-Methoxy-2-(4-(Methyl(((1r,4s)-4-(4-Methyl-3-Oxopiperazin-1-Yl)cyclohexyl)methyl)amino)phenyl)-1,2-Dihydroisoquinolin-3(4h)-One; (S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-[methyl[4-(4-methyl-3-oxopiperazin-1-yl)-trans-cyclohexylmethyl]amino]phenyl)-1,4-dihydro-2H-isoquinolin-3-one; (1S)-1-(4-chlorophenyl)-1,4-dihydro-6-methoxy-7-(1-methylethoxy)-2-[4-[methyl[[trans-4-(4-methyl-3-oxo-1-piperazinyl)cyclohexyl]methyl]amino]phenyl]-3(2H)-isoquinolinone; NVP CGM097; C38H47ClN4O4; CGM097CGM097; SCHEMBL2391192; SCHEMBL2391196; CHEMBL3601398; SCHEMBL18458199; BDBM162123; BCP18308; EX-A1059; MFCD28144684; NSC783015; s7875; NVP-CGM097 (CGM-097); AKOS030526402; ZINC253387855; CCG-270337; CS-3138; NSC-783015; NCGC00390552-01; AC-32967; AS-75288; HY-15954; W5747; J3.509.326E; A16326; US9051279, 106; Q27454942; (1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl}amino)phenyl]-7-(propan-2-yloxy)-1,4-dihydroisoquinolin-3(2H)-one; (1S)-1-(4-chlorophenyl)-6-methoxy-2-{4-[methyl({[(1r,4r)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl})amino]phenyl}-7-(propan-2-yloxy)-1,2,3,4-tetrahydroisoquinolin-3-one; 4T4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783015	.	.	.	.	659.3	C38H47ClN4O4	65.6	1040	6.5	47	0	6	9	"InChI=1S/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26 ,31 ,38-/m0/s1"	CC(C)OC1=C(C=C2CC(=O)N([C@H](C2=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C)OC	CLRSLRWKONPSRQ-CPOWQTMSSA-N
DG67286	3-hydroxy-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide	53241629	SCHEMBL12575802; SCHEMBL14150625; NSC750908; NSC-750908	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750908	.	.	.	.	367.3	C18H13N3O6	137	604	3.5	27	3	6	3	"InChI=1S/C18H13N3O6/c22-15-10-12-4-2-1-3-11(12)9-14(15)18(24)20-19-16(23)7-5-13-6-8-17(27-13)21(25)26/h1-10,22H,(H,19,23)(H,20,24)/b7-5+"	C1=CC=C2C=C(C(=CC2=C1)C(=O)NNC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-])O	AIKMRUILKBFKCP-FNORWQNLSA-N
DG67287	"3-(E)-1-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methylidene-2-indolinone"	53248929	"CHEMBL1801587; NSC751896; NSC-751896; 3-(E)-1-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methylidene-2-indolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751896	.	.	.	.	355.4	C22H14FN3O	46.4	608	4.6	27	1	3	2	"InChI=1S/C22H14FN3O/c23-17-9-3-1-8-15(17)21-24-19(20-11-5-6-12-26(20)21)13-16-14-7-2-4-10-18(14)25-22(16)27/h1-13H,(H,25,27)/b16-13+"	C1=CC=C2C(=C1)/C(=C\\C3=C4C=CC=CN4C(=N3)C5=CC=CC=C5F)/C(=O)N2	NPJJOOOJIBYEHP-DTQAZKPQSA-N
DG67288	"6-(((1R,2S)-2-Aminocyclohexyl)amino)-7-fluoro-4-(1-methyl-1H-pyrazol-4-YL)-1,2-dihydro-3H-pyrrolo[3,4-C]pyridin-3-one"	53252276	"TAK-659; 1312691-33-0; Mivavotinib; UNII-8QR88H79VX; TAK659; 8QR88H79VX; TAK-659F; CHEMBL3979920; 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one; TAK-659 free base; TAK-659 HCl; 3H-Pyrrolo[3,4-c]pyridin-3-one, 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,2-dihydro-4-(1-methyl-1H-pyrazol-4-yl)-; 6-(((1R,2S)-2-AMINOCYCLOHEXYL)AMINO)-7-FLUORO-4-(1-METHYL-1H-PYRAZOL-4-YL)-1,2-DIHYDRO-3H-PYRROLO[3,4-C]PYRIDIN-3-ONE; 3H-Pyrrolo(3,4-C)pyridin-3-one, 6-(((1R,2S)-2-aminocyclohexyl)amino)-7-fluoro-1,2-dihydro-4-(1-methyl-1H-pyrazol-4-yl)-; 6-{[(1r,2s)-2-Aminocyclohexyl]amino}-7-Fluoro-4-(1-Methyl-1h-Pyrazol-4-Yl)-1,2-Dihydro-3h-Pyrrolo[3,4-C]pyridin-3-One; Mivavotinib [USAN]; Mivavotinib (USAN/INN); TAK659 2HCl; TAK-659 2HCl; GTPL9600; SCHEMBL1987799; TAK-659 free base(Mivavotinib); BCP28883; EX-A1401; BDBM50204290; NSC791967; NSC791968; WHO 10836; NSC-791967; NSC-791968; compound 3b [PMID: 27839918]; HY-100867; CS-0020533; D11789; 1312691-41-0; 6-((1R,2S)-2-Aminocyclohexylamino)-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one; cis-6-(2-Aminocyclohexylamino)-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791967	.	.	.	.	344.4	C17H21FN6O	97.9	508	0.5	25	3	6	3	"InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1"	CN1C=C(C=N1)C2=NC(=C(C3=C2C(=O)NC3)F)N[C@@H]4CCCC[C@@H]4N	MJHOMTRKVMKCNE-NWDGAFQWSA-N
DG67289	5-[2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-pentan-3-ylpurin-6-yl]pyrazin-2-amine	53258965	FT-1518; CHEMBL4279703; SCHEMBL1913379; BDBM50469458; FT1518; NSC802820; NSC-802820; HY-107363; CS-0028215; 1313026-58-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	802820	.	.	.	.	394.5	C20H26N8O	108	551	1.7	29	1	8	5	"InChI=1S/C20H26N8O/c1-3-12(4-2)28-11-24-18-17(15-7-23-16(21)8-22-15)25-20(26-19(18)28)27-9-13-5-6-14(10-27)29-13/h7-8,11-14H,3-6,9-10H2,1-2H3,(H2,21,23)"	CCC(CC)N1C=NC2=C(N=C(N=C21)N3CC4CCC(C3)O4)C5=CN=C(C=N5)N	VZZGNDREIXJEAB-UHFFFAOYSA-N
DG67291	NSC751619	53306274	"2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-[[3-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-hydroxyphenyl]methyl]phenol; CHEMBL1782990; NSC751619; NSC-751619"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751619	.	.	.	.	557.5	C31H26Cl2N4O2	89.2	816	7.2	39	4	6	6	"InChI=1S/C31H26Cl2N4O2/c32-22-7-3-20(4-8-22)26-16-28(36-34-26)24-14-18(1-11-30(24)38)13-19-2-12-31(39)25(15-19)29-17-27(35-37-29)21-5-9-23(33)10-6-21/h1-12,14-15,28-29,36-39H,13,16-17H2"	C1C(NN=C1C2=CC=C(C=C2)Cl)C3=C(C=CC(=C3)CC4=CC(=C(C=C4)O)C5CC(=NN5)C6=CC=C(C=C6)Cl)O	INMQHLIMMGRRJC-UHFFFAOYSA-N
DG67292	NSC751620	53306275	"4-[[4-hydroxy-3-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol; NSC751620; NSC-751620"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751620	.	.	.	.	548.6	C33H32N4O4	108	841	5.9	41	4	8	8	"InChI=1S/C33H32N4O4/c1-40-24-9-5-22(6-10-24)28-18-30(36-34-28)26-16-20(3-13-32(26)38)15-21-4-14-33(39)27(17-21)31-19-29(35-37-31)23-7-11-25(41-2)12-8-23/h3-14,16-17,30-31,36-39H,15,18-19H2,1-2H3"	COC1=CC=C(C=C1)C2=NNC(C2)C3=C(C=CC(=C3)CC4=CC(=C(C=C4)O)C5CC(=NN5)C6=CC=C(C=C6)OC)O	DOPFWCZEDUQYNO-UHFFFAOYSA-N
DG67293	5-Methyl-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide	53329052	CHEMBL1796384; NSC748147; NSC-748147; 5-methyl-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748147	.	.	.	.	280.32	C17H16N2O2	72.2	400	3	21	2	2	4	"InChI=1S/C17H16N2O2/c1-12-7-9-15(14(11-12)17(18)21)19-16(20)10-8-13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,21)(H,19,20)/b10-8+"	CC1=CC(=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2)C(=O)N	OQFPJSWMWKUZON-CSKARUKUSA-N
DG67294	5-Chloro-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide	53329233	CHEMBL1796385; NSC748145; NSC-748145; 5-chloro-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748145	.	.	.	.	300.74	C16H13ClN2O2	72.2	405	3.2	21	2	2	4	"InChI=1S/C16H13ClN2O2/c17-12-7-8-14(13(10-12)16(18)21)19-15(20)9-6-11-4-2-1-3-5-11/h1-10H,(H2,18,21)(H,19,20)/b9-6+"	C1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=C(C=C2)Cl)C(=O)N	HYPSGXHZSSDILX-RMKNXTFCSA-N
DG67295	5-Bromo-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide	53329234	CHEMBL1796386; NSC748146; NSC-748146; 5-bromo-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748146	.	.	.	.	345.19	C16H13BrN2O2	72.2	405	3.3	21	2	2	4	"InChI=1S/C16H13BrN2O2/c17-12-7-8-14(13(10-12)16(18)21)19-15(20)9-6-11-4-2-1-3-5-11/h1-10H,(H2,18,21)(H,19,20)/b9-6+"	C1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=C(C=C2)Br)C(=O)N	JZBSYFUDPOXALL-RMKNXTFCSA-N
DG67296	5-Iodo-2-{[(2)-3-(2-chlorophenyl)prop-2-enoyl]amino}benzamide	53329762	CHEMBL1796404; NSC748148; NSC-748148; 5-iodo-2-{[(2)-3-(2-chlorophenyl)prop-2-enoyl]amino}benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748148	.	.	.	.	426.63	C16H12ClIN2O2	72.2	444	3.9	22	2	2	4	"InChI=1S/C16H12ClIN2O2/c17-13-4-2-1-3-10(13)5-8-15(21)20-14-7-6-11(18)9-12(14)16(19)22/h1-9H,(H2,19,22)(H,20,21)/b8-5+"	C1=CC=C(C(=C1)/C=C/C(=O)NC2=C(C=C(C=C2)I)C(=O)N)Cl	LDTVDHNQFCJUJM-VMPITWQZSA-N
DG67297	NSC756142	53338690	"N-(2,3-dihydroxypropyl)-5-fluoro-2-[[2-[2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide; GSK1392956A; CHEMBL1897993; NSC756142; NSC-756142; NCGC00242062-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756142	.	.	.	.	592.7	C30H37FN8O4	151	883	3.7	43	6	11	11	"InChI=1S/C30H37FN8O4/c1-18(2)38-10-12-39(13-11-38)20-5-7-25(26(15-20)43-3)35-30-36-27-22(8-9-32-27)28(37-30)34-24-6-4-19(31)14-23(24)29(42)33-16-21(41)17-40/h4-9,14-15,18,21,40-41H,10-13,16-17H2,1-3H3,(H,33,42)(H3,32,34,35,36,37)"	CC(C)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=C(C=C(C=C5)F)C(=O)NCC(CO)O)OC	SAWLOYCVNOMZOQ-UHFFFAOYSA-N
DG67298	Ricolinostat	53340666	"1316214-52-4; ACY-1215; Ricolinostat; Rocilinostat; 2-(Diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide; Rocilinostat (ACY-1215); UNII-WKT909C62B; Ricolinostat (ACY-1215); ACY-63; WKT909C62B; 7-{[2-(DIPHENYLAMINO)PYRIMIDIN-5-YL]FORMAMIDO}-N-HYDROXYHEPTANAMIDE; N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide; MFCD22666356; 2-(Diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]-5-pyrimidinecarboxamide; 2-(diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide; Ricolinostat [USAN:INN]; 5-Pyrimidinecarboxamide, 2-(diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)-; 5-Pyrimidinecarboxamide, 2-(diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]-; Ricolinostat (USAN/INN); MLS006011181; SCHEMBL574580; GTPL7010; CHEMBL2364628; CHEBI:95073; ACY1215; DTXSID40157148; EX-A139; HMS3426C09; HMS3653F17; HMS3886L21; ACY 1215; AMY38185; BCP06028; BDBM50439674; NSC767952; s8001; ZINC89630354; AKOS024259260; ACN-030031; CCG-269054; CS-0965; DB12376; NSC-767952; SB17054; NCGC00345802-01; NCGC00345802-05; AC-30258; AS-73344; BA164806; HY-16026; SMR004702950; SY096614; SW219836-1; X5832; D10661; J-690127; Q27088553; AH4; US8609678, 2-(diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide [26]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767952	.	.	.	.	433.5	C24H27N5O3	107	538	3.4	32	3	6	11	"InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)"	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO	QGZYDVAGYRLSKP-UHFFFAOYSA-N
DG67299	NSC768072	53357478	"4-((9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino)-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide; TAK-960; 1137868-52-0; TAK960; TAK 960; CHEMBL2392545; UNII-3831VFM1ZB; 3831VFM1ZB; 4-((9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino)-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide; benzamide, 4-[(9-cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5h-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-n-(1-methyl-4-piperidinyl)-; 4-[(9-Cyclopentyl-7,7-Difluoro-5-Methyl-6-Oxo-6,7,8,9-Tetrahydro-5h-Pyrimido[4,5-B][1,4]diazepin-2-Yl)amino]-2-Fluoro-5-Methoxy-N-(1-Methylpiperidin-4-Yl)benzamide; 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide; 4-((9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido(4,5-b)(1,4)diazepin-2-yl)amino)-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide; yl)benzamide; SCHEMBL1560793; 5H,6H,7H,8H,9H-pyrimido[4,5-b][1,4]diazepin-2-; AOB6899; EX-A382; C27H34F3N7O3; BCP09476; 2743AH; BDBM50435727; NSC768072; ZINC43203898; AKOS025290223; CS-4412; NSC-768072; PB31224; SB20412; NCGC00387488-01; NCGC00387488-03; 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-2-fluoro-5-methoxy-N-(1-methyl-piperidin-4-yl)-benzamide; 4-(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide; DA-47794; HY-15160; QC-11584; B5860; FT-0751980; J3.506.538E; 4-({9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-; J-003024; Q27452103; yl}amino)-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-; 1J4; 4-({9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-5H,6H,7H,8H,9H-pyrimido[4,5-b][1,4]diazepin-2-yl}amino)-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768072	.	.	.	.	561.6	C27H34F3N7O3	103	903	3.6	40	2	11	6	"InChI=1S/C27H34F3N7O3/c1-35-10-8-16(9-11-35)32-24(38)18-12-22(40-3)20(13-19(18)28)33-26-31-14-21-23(34-26)37(17-6-4-5-7-17)15-27(29,30)25(39)36(21)2/h12-14,16-17H,4-11,15H2,1-3H3,(H,32,38)(H,31,33,34)"	CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2F)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC	GWRSATNRNFYMDI-UHFFFAOYSA-N
DG67300	Idasanutlin	53358942	"Idasanutlin; 1229705-06-9; RG7388; RG-7388; Idasanutlin (RG-7388); Idasanutlin (RG7388); UNII-QSQ883V35U; RO5503781; QSQ883V35U; CHEMBL2402737; RO-5503781; 4-((2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-neopentylpyrrolidine-2-carboxamido)-3-methoxybenzoic acid; 4-[[(2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]-3-methoxybenzoic acid; 4-((2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-neopentylpyrrolidine-2-carboxamido)-3-methoxybenzoic acid.; Benzoic acid, 4-((((2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-2-pyrrolidinyl)carbonyl)amino)-3-methoxy-; Benzoic acid, 4-[[[(2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-2-pyrrolidinyl]carbonyl]amino]-3-methoxy-; Idasanutlin [USAN:INN]; RG-7388;Idasanutlin; Idasanutlin (USAN/INN); SCHEMBL442856; C31H29Cl2F2N3O4; AMY1857; EX-A831; AOB87132; BCP11659; 2685AH; BDBM50437206; MFCD26142931; NSC779404; s7205; ZINC96273105; CCG-270248; CS-1473; DB12325; NSC-779404; NCGC00378976-08; Ro 5503781; AC-32968; BP-25380; HY-15676; A14211; D11219; A857397; J-690081; Q27287480; 5-[9-Isopropyl-8-methyl-2-(4-morpholinyl)-9H-purin-6-yl]-2-pyrimidinamine; RG-7388;RG 7388;RG7388; RO5503781; RO-5503781; RO 5503781; 4-[[[(2R,3S,4R,5S)-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-2-pyrrolidinyl]carbonyl]amino]-3-methoxybenzoic acid; 4-{[(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carbonyl]-amino}-3-methoxy-benzoic acid; RG-7388; ; ; 4-[[(2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]-3-methoxybenzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	779404	.	.	.	.	616.5	C31H29Cl2F2N3O4	111	1040	4.3	42	3	8	8	"InChI=1S/C31H29Cl2F2N3O4/c1-30(2,3)14-24-31(15-36,19-10-9-17(32)13-21(19)34)25(18-6-5-7-20(33)26(18)35)27(38-24)28(39)37-22-11-8-16(29(40)41)12-23(22)42-4/h5-13,24-25,27,38H,14H2,1-4H3,(H,37,39)(H,40,41)/t24-,25-,27+,31-/m0/s1"	CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NC2=C(C=C(C=C2)C(=O)O)OC)C3=C(C(=CC=C3)Cl)F)(C#N)C4=C(C=C(C=C4)Cl)F	TVTXCJFHQKSQQM-LJQIRTBHSA-N
DG67301	"1-(4-(4-(benzamido)-1H-pyrrolo[3,2-c]pyridin-1-yl)phenyl)-3-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)urea"	53361439	"CHEMBL1806911; NSC752894; NSC-752894; 1-(4-(4-(benzamido)-1H-pyrrolo[3,2-c]pyridin-1-yl)phenyl)-3-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752894	.	.	.	.	641.7	C35H34F3N7O2	94.5	1030	5.2	47	3	8	8	"InChI=1S/C35H34F3N7O2/c1-2-43-18-20-44(21-19-43)23-25-8-9-27(22-30(25)35(36,37)38)41-34(47)40-26-10-12-28(13-11-26)45-17-15-29-31(45)14-16-39-32(29)42-33(46)24-6-4-3-5-7-24/h3-17,22H,2,18-21,23H2,1H3,(H,39,42,46)(H2,40,41,47)"	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)N4C=CC5=C4C=CN=C5NC(=O)C6=CC=CC=C6)C(F)(F)F	HDLRMBIQCXLNSV-UHFFFAOYSA-N
DG67302	"1-Methyl-3-[2-(4-methylphenyl)-1,3-b]pyridine"	53361471	"NSC749870; NSC-749870; 1-methyl-3-[2-(4-methylphenyl)-1,3-b]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749870	.	.	.	.	305.4	C18H15N3S	59	383	4	22	0	3	2	"InChI=1S/C18H15N3S/c1-12-5-7-13(8-6-12)18-20-16(11-22-18)15-10-21(2)17-14(15)4-3-9-19-17/h3-11H,1-2H3"	CC1=CC=C(C=C1)C2=NC(=CS2)C3=CN(C4=C3C=CC=N4)C	MZZXBWPHBZYMOK-UHFFFAOYSA-N
DG67303	"2-(3-Fluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole"	53361472	NSC749868; NSC-749868	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749868	.	.	.	.	309.4	C17H12FN3S	59	396	3.7	22	0	4	2	"InChI=1S/C17H12FN3S/c1-21-9-14(13-6-3-7-19-16(13)21)15-10-22-17(20-15)11-4-2-5-12(18)8-11/h2-10H,1H3"	CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CC(=CC=C4)F	YLXMCAADMWSAEH-UHFFFAOYSA-N
DG67304	"N-[4-(4-Benzoylamino-pyrrolo[3,2-c]pyridin-1-yl)-phenyl]-4-(4-morpholin-4-yl)-3-trifluoromethylbenzamide"	53361478	"N-[4-(4-Benzoylamino-pyrrolo[3,2-c]pyridin-1-yl)-phenyl]-4-(4-morpholin-4-yl)-3-trifluoromethylbenzamide; CHEMBL1806917; NSC752892; NSC-752892"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752892	.	.	.	.	585.6	C32H26F3N5O3	88.5	949	5.2	43	2	8	6	"InChI=1S/C32H26F3N5O3/c33-32(34,35)26-20-22(6-11-28(26)39-16-18-43-19-17-39)31(42)37-23-7-9-24(10-8-23)40-15-13-25-27(40)12-14-36-29(25)38-30(41)21-4-2-1-3-5-21/h1-15,20H,16-19H2,(H,37,42)(H,36,38,41)"	C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4C=CC5=C4C=CN=C5NC(=O)C6=CC=CC=C6)C(F)(F)F	PGEQQHFHAQPHLF-UHFFFAOYSA-N
DG67305	3-[(4-Methoxyphenyl)thio]-2H-isoindole-1-carbaldehyde	53361730	NSC749086; NSC-749086; 3-[(4-Methoxyphenyl)thio]-2H-isoindole-1-carbaldehyde; 1-carbaldehyde-3-(4-methoxy-phenylsulfanyl)-2H-isoindole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749086	.	.	.	.	283.3	C16H13NO2S	67.4	330	4.1	20	1	3	4	"InChI=1S/C16H13NO2S/c1-19-11-6-8-12(9-7-11)20-16-14-5-3-2-4-13(14)15(10-18)17-16/h2-10,17H,1H3"	COC1=CC=C(C=C1)SC2=C3C=CC=CC3=C(N2)C=O	XHWPCVAJPVXNPY-UHFFFAOYSA-N
DG67306	1-acetyl-3-(4-methoxy-phenylsulfanyl)-2H-isoindole	53361731	NSC749088; NSC-749088; 1-acetyl-3-(4-methoxy-phenylsulfanyl)-2H-isoindole; 1-[3-[(4-Methoxyphenyl)thio]-2H-isoindole-1-yl]ethanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749088	.	.	.	.	297.4	C17H15NO2S	67.4	368	4.4	21	1	3	4	"InChI=1S/C17H15NO2S/c1-11(19)16-14-5-3-4-6-15(14)17(18-16)21-13-9-7-12(20-2)8-10-13/h3-10,18H,1-2H3"	CC(=O)C1=C2C=CC=CC2=C(N1)SC3=CC=C(C=C3)OC	BPMIAFLJTXCSKM-UHFFFAOYSA-N
DG67307	"(E)-3-(7-methoxy-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	53362835	"NSC749076; NSC-749076; 3-(7-methoxy-3-methyl-1,4,5-trimethoxy-phenyl)-propenone; (E)-3-(7-methoxy-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749076	.	.	.	.	426.4	C22H22N2O7	100	723	2	31	0	8	7	"InChI=1S/C22H22N2O7/c1-13-16(24(27)18-12-15(28-2)6-7-17(18)23(13)26)8-9-19(25)14-10-20(29-3)22(31-5)21(11-14)30-4/h6-12H,1-5H3/b9-8+"	CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)/C=C/C(=O)C3=CC(=C(C(=C3)OC)OC)OC	XXUQPSZTHDJUOY-CMDGGOBGSA-N
DG67308	"(E)-3-(7-chloro-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	53362836	"NSC749075; NSC-749075; 3-(6/7-chloro-3-methyl-1,4,5-trimethoxy-phenyl)-propenone; (E)-3-(7-chloro-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749075	.	.	.	.	430.8	C21H19ClN2O6	91.1	712	2.6	30	0	7	6	"InChI=1S/C21H19ClN2O6/c1-12-15(24(27)17-11-14(22)5-6-16(17)23(12)26)7-8-18(25)13-9-19(28-2)21(30-4)20(10-13)29-3/h5-11H,1-4H3/b8-7+"	CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)Cl)/C=C/C(=O)C3=CC(=C(C(=C3)OC)OC)OC	AOZCZOWIVXWKDJ-BQYQJAHWSA-N
DG67309	"3-(3,4-Dioxyquinoxalin-2-yl)-1-(3,4,5-trimethoxyphenyl)-propenone"	53362837	"NSC750054; NSC-750054; 3-(3,4-dioxyquinoxalin-2-yl)-1-(3,4,5-trimethoxyphenyl)-propenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750054	.	.	.	.	410.4	C22H22N2O6	91.1	706	2.4	30	0	7	6	"InChI=1S/C22H22N2O6/c1-13-6-7-17-18(10-13)24(27)16(14(2)23(17)26)8-9-19(25)15-11-20(28-3)22(30-5)21(12-15)29-4/h6-12H,1-5H3/b9-8+"	CC1=CC2=C(C=C1)N(C(=C([N+]2=O)/C=C/C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C)[O-]	PKVLXXTYLDKHIO-CMDGGOBGSA-N
DG67310	"4-(N-(4-cyclohexylbenzyl)-2-(2,3,4,5,6-pentafluoro-N-methylphenylsulfonamido)acetamido)-2-hydroxybenzoic acid"	53388144	"BP-1-102; 1334493-07-0; 4-(N-(4-cyclohexylbenzyl)-2-(2,3,4,5,6-pentafluoro-N-methylphenylsulfonamido)acetamido)-2-hydroxybenzoic acid; CHEMBL1829876; 4-[(4-cyclohexylphenyl)methyl-[2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]acetyl]amino]-2-hydroxybenzoic acid; SCHEMBL10243263; BCP24676; EX-A1295; BDBM50353432; NSC764037; s7769; ZINC72116229; AKOS027423125; CCG-270277; CS-6205; NSC-764037; STAT3 Inhibitor XVIII, BP-1-102; NCGC00345808-01; BS-15204; HY-100493; C72333; A935061; 4-(N-(4-cyclohexylbenzyl)-2-((2,3,4,5,6-pentafluoro-N-methylphenyl)sulfonamido)acetamido)-2-hydroxybenzoic acid; 4-[(4-Cyclohexylbenzyl){N-methyl-N-[(pentafluorophenyl)sulfonyl]glycyl}amino]-2-hydroxybenzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764037	.	.	.	.	626.6	C29H27F5N2O6S	124	1050	6.4	43	2	12	9	"InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40)"	CN(CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC(=C(C=C3)C(=O)O)O)S(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F	WNVSFFVDMUSXSX-UHFFFAOYSA-N
DG67311	"1-(5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)indolin-1-yl)-2-(3-(trifluoromethyl)phenyl)ethanone"	53469448	"GSK2606414; 1337531-36-8; GSK 2606414; GSK-2606414; 1-(5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)indolin-1-yl)-2-(3-(trifluoromethyl)phenyl)ethanone; CHEMBL2171124; 1-(5-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-indolin-1-yl)-2-(3-(trifluoromethyl)phenyl)ethanone; 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone; C24H20F3N5O; 1-[5-(4-Amino-7-Methyl-7h-Pyrrolo[2,3-D]pyrimidin-5-Yl)-2,3-Dihydro-1h-Indol-1-Yl]-2-[3-(Trifluoromethyl)phenyl]ethanone; 1-[5-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone; SCHEMBL868254; AOB3888; EX-A340; SYN1201; HMS3653O10; HMS3743C19; BCP06992; BDBM50396534; MFCD25976926; NSC781627; s7307; ZINC95550949; AKOS024458496; CCG-269247; CS-1428; EK-0047; NSC-781627; QC-9698; SB19408; NCGC00346070-09; 1-(5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)indolin-1-yl)-2-(3-(trifluoromethyl)phenyl)ethan-1-one; 7Methyl-5-(1-{[3-(trifluoroMethyl)phenyl]acetyl}-2,3-dihydro1Hindol-5-yl)7Hpyrrolo[2,3d]pyriMidin-4-aMine; AC-29016; DA-33592; HY-18072; FT-0716681; SW219646-1; Q15409439"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781627	.	.	.	.	451.4	C24H20F3N5O	77	721	3.8	33	1	7	3	"InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30)"	CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F	SIXVRXARNAVBTC-UHFFFAOYSA-N
DG67312	3-(3-chloro-5-methoxyphenyl)-N-(2-morpholinoethyl)-4-(pyridin-4-yl)-1H-pyrazole-1-carboxamide	53483547	NSC752878; NSC-752878; 3-(3-chloro-5-methoxyphenyl)-N-(2-morpholinoethyl)-4-(pyridin-4-yl)-1H-pyrazole-1-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752878	.	.	.	.	441.9	C22H24ClN5O3	81.5	573	2.4	31	1	6	6	"InChI=1S/C22H24ClN5O3/c1-30-19-13-17(12-18(23)14-19)21-20(16-2-4-24-5-3-16)15-28(26-21)22(29)25-6-7-27-8-10-31-11-9-27/h2-5,12-15H,6-11H2,1H3,(H,25,29)"	COC1=CC(=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C(=O)NCCN4CCOCC4)Cl	DWMMTUPPTGCVOI-UHFFFAOYSA-N
DG67313	N-(2-(4-acetylpiperazin-1-yl)ethyl)-3-(3-chloro-5-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazole-1-carboxamide	53483672	NSC753193; NSC-753193; N-(2-(4-acetylpiperazin-1-yl)ethyl)-3-(3-chloro-5-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazole-1-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753193	.	.	.	.	468.9	C23H25ClN6O3	104	671	1.7	33	2	6	5	"InChI=1S/C23H25ClN6O3/c1-16(31)29-10-8-28(9-11-29)7-6-26-23(33)30-15-21(17-2-4-25-5-3-17)22(27-30)18-12-19(24)14-20(32)13-18/h2-5,12-15,32H,6-11H2,1H3,(H,26,33)"	CC(=O)N1CCN(CC1)CCNC(=O)N2C=C(C(=N2)C3=CC(=CC(=C3)Cl)O)C4=CC=NC=C4	WAEUDCCYCKQSJD-UHFFFAOYSA-N
DG67314	"(Z)-5-((E)-3-(4-(diethylamino)phenyl)allylidene)imidazolidine-2,4-dione"	53495015	"NSC751109; NSC-751109; (Z)-5-((E)-3-(4-(diethylamino)phenyl)allylidene)imidazolidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751109	.	.	.	.	285.34	C16H19N3O2	61.4	444	2.6	21	2	3	5	"InChI=1S/C16H19N3O2/c1-3-19(4-2)13-10-8-12(9-11-13)6-5-7-14-15(20)18-16(21)17-14/h5-11H,3-4H2,1-2H3,(H2,17,18,20,21)/b6-5+,14-7-"	CCN(CC)C1=CC=C(C=C1)/C=C/C=C\\2/C(=O)NC(=O)N2	BBQBCXGVMSNGLX-JEZZUBLBSA-N
DG67315	"(Z)-isopropyl 3-(3-(3-methoxy-5-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate"	53495165	"KPT-185; KPT185; 1333151-73-7; (Z)-isopropyl 3-(3-(3-methoxy-5-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate; propan-2-yl (Z)-3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate; SCHEMBL1335182; CHEMBL3898452; EX-A318; KPT 185; AOB87728; 2498AH; MFCD25976761; NSC757568; NSC772595; s7125; ZINC96170447; CCG-268093; NSC-757568; NSC-772595; NCGC00386294-01; AC-32679; QC-11457; SW219337-1; J-690131; isopropyl (Z)-3-(3-(3-methoxy-5-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate; (2Z)-3-[3-[3-Methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]-2-Propenoic Acid 1-Methylethyl Ester; N-[3-({2-[(4-{[1-(2-Fluoroethyl)-3-azetidinyl]amino}-2-methoxyphenyl)amino]-5-(trifluoromethyl)-4-pyrimidinyl}amino)phenyl]acrylamid e"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772595	.	.	.	.	355.31	C16H16F3N3O3	66.2	485	3.4	25	0	8	6	"InChI=1S/C16H16F3N3O3/c1-10(2)25-14(23)4-5-22-9-20-15(21-22)11-6-12(16(17,18)19)8-13(7-11)24-3/h4-10H,1-3H3/b5-4-"	CC(C)OC(=O)/C=C\\N1C=NC(=N1)C2=CC(=CC(=C2)OC)C(F)(F)F	NLNGWFLRRRYNIL-PLNGDYQASA-N
DG67316	"2.5-anhydro-1-(3,4,5-trimethoxyphenyl)-1-[3-hydroxy-4-methoxyphenyl]-1-desoxy-3.4:6.7-di-O-isopropylidene-L-glucohept-1-enitol"	54576090	"CHEMBL1830549; NSC753427; NSC-753427; 2.5-anhydro-1-(3,4,5-trimethoxyphenyl)-1-[3-hydroxy-4-methoxyphenyl]-1-desoxy-3.4:6.7-di-O-isopropylidene-L-glucohept-1-enitol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753427	.	.	.	.	544.6	C29H36O10	103	875	3.9	39	1	10	7	"InChI=1S/C29H36O10/c1-28(2)35-14-21(37-28)24-26-27(39-29(3,4)38-26)25(36-24)22(15-9-10-18(31-5)17(30)11-15)16-12-19(32-6)23(34-8)20(13-16)33-7/h9-13,21,24,26-27,30H,14H2,1-8H3/b25-22+/t21-,24+,26-,27+/m1/s1"	CC1(OC[C@@H](O1)[C@H]2[C@@H]3[C@H](/C(=C(/C4=CC(=C(C=C4)OC)O)\\C5=CC(=C(C(=C5)OC)OC)OC)/O2)OC(O3)(C)C)C	HVBSSJMEZFQFCH-ZXUXXAPZSA-N
DG67317	"2,4,5-trimethoxyphenyl)-1-(3-hydroxy-4-methoxyphenyl)-1-desoxy-3.4:6.7-di-O-isopropylidene-L-glucohept-1-enitol"	54576091	"CHEMBL1830546; NSC750873; NSC-750873; 2,4,5-trimethoxyphenyl)-1-(3-hydroxy-4-methoxyphenyl)-1-desoxy-3.4:6.7-di-O-isopropylidene-L-glucohept-1-enitol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750873	.	.	.	.	544.6	C29H36O10	103	875	3.9	39	1	10	7	"InChI=1S/C29H36O10/c1-28(2)35-14-21(37-28)24-26-27(39-29(3,4)38-26)25(36-24)22(15-9-10-18(31-5)17(30)11-15)16-12-19(32-6)23(34-8)20(13-16)33-7/h9-13,21,24,26-27,30H,14H2,1-8H3/b25-22-/t21-,24+,26-,27+/m1/s1"	CC1(OC[C@@H](O1)[C@H]2[C@@H]3[C@H](/C(=C(\\C4=CC(=C(C=C4)OC)O)/C5=CC(=C(C(=C5)OC)OC)OC)/O2)OC(O3)(C)C)C	HVBSSJMEZFQFCH-PAXDZCIKSA-N
DG67319	"6-amino-4-(4-chlorophenyl)-5-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile"	54576527	CHEMBL1825050; NSC752307; NSC-752307	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752307	.	.	.	.	373.8	C21H16ClN5	91.4	568	4.4	27	2	4	2	"InChI=1S/C21H16ClN5/c1-11-7-16-17(8-12(11)2)27-21(26-16)19-18(13-3-5-15(22)6-4-13)14(9-23)10-25-20(19)24/h3-8,10H,1-2H3,(H2,24,25)(H,26,27)"	CC1=CC2=C(C=C1C)N=C(N2)C3=C(C(=CN=C3N)C#N)C4=CC=C(C=C4)Cl	UKWSZFZBKUECHR-UHFFFAOYSA-N
DG67320	"6-amino-5-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile"	54576528	CHEMBL1825051; NSC752308; NSC-752308	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752308	.	.	.	.	369.4	C22H19N5O	101	583	3.8	28	2	5	3	"InChI=1S/C22H19N5O/c1-12-8-17-18(9-13(12)2)27-22(26-17)20-19(15(10-23)11-25-21(20)24)14-4-6-16(28-3)7-5-14/h4-9,11H,1-3H3,(H2,24,25)(H,26,27)"	CC1=CC2=C(C=C1C)N=C(N2)C3=C(C(=CN=C3N)C#N)C4=CC=C(C=C4)OC	UPAXUHDNVVDPIA-UHFFFAOYSA-N
DG67321	NSC751501	54579200	"8-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one; CHEMBL3338353; SCHEMBL18056620; NSC751501; NSC-751501"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751501	.	.	.	.	423.5	C24H25NO6	88.5	711	2.8	31	2	7	5	"InChI=1S/C24H25NO6/c1-29-19-10-15(11-20(30-2)23(19)27)21-16-8-13-4-3-5-14(13)9-17(16)25(6-7-26)18-12-31-24(28)22(18)21/h8-11,21,26-27H,3-7,12H2,1-2H3"	COC1=CC(=CC(=C1O)OC)C2C3=C(C=C4CCCC4=C3)N(C5=C2C(=O)OC5)CCO	KLVSBBRWPFKCDD-UHFFFAOYSA-N
DG67322	"2-(2-Hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one"	54579201	CHEMBL3338354; NSC751502; NSC-751502	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751502	.	.	.	.	377.4	C23H23NO4	59	639	3.2	28	1	5	4	"InChI=1S/C23H23NO4/c1-27-17-7-5-14(6-8-17)21-18-11-15-3-2-4-16(15)12-19(18)24(9-10-25)20-13-28-23(26)22(20)21/h5-8,11-12,21,25H,2-4,9-10,13H2,1H3"	COC1=CC=C(C=C1)C2C3=C(C=C4CCCC4=C3)N(C5=C2C(=O)OC5)CCO	WNGNHYKRYHCSIR-UHFFFAOYSA-N
DG67323	NSC751503	54579202	"17-(4-Hydroxy-3,5-dimethoxyphenyl)-11-(2-hydroxyethyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one; CHEMBL3338362; NSC751503; NSC-751503"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751503	.	.	.	.	441.4	C23H23NO8	107	730	1.7	32	2	9	5	"InChI=1S/C23H23NO8/c1-28-18-7-12(8-19(29-2)22(18)26)20-13-9-16-17(31-6-5-30-16)10-14(13)24(3-4-25)15-11-32-23(27)21(15)20/h7-10,20,25-26H,3-6,11H2,1-2H3"	COC1=CC(=CC(=C1O)OC)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCCO4	XRWCXPWCGIPMDX-UHFFFAOYSA-N
DG67324	"8-(3,4-Dimethoxyphenyl)-2-(2-hydroxyethyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one"	54579427	CHEMBL3338350; NSC751500; NSC-751500	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751500	.	.	.	.	407.5	C24H25NO5	68.2	693	3.2	30	1	6	5	"InChI=1S/C24H25NO5/c1-28-20-7-6-16(12-21(20)29-2)22-17-10-14-4-3-5-15(14)11-18(17)25(8-9-26)19-13-30-24(27)23(19)22/h6-7,10-12,22,26H,3-5,8-9,13H2,1-2H3"	COC1=C(C=C(C=C1)C2C3=C(C=C4CCCC4=C3)N(C5=C2C(=O)OC5)CCO)OC	XCYHMCSRVSWZDC-UHFFFAOYSA-N
DG67325	"3-Benzo[1,3]dioxol-5-yl-5-(3,4,5-trimethoxy-phenyl)-4,5-dihydropyrazole-1-carbaldehyde"	54589644	"NSC754197; STL433928; AKOS032956618; NSC-754197; 3-Benzo[1,3]dioxol-5-yl-5-(3,4,5-trimethoxy-phenyl)-4,5-dihydropyrazole-1-carbaldehyde; 5-(1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbaldehyde; 3-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754197	.	.	.	.	384.4	C20H20N2O6	78.8	573	2.4	28	0	7	5	"InChI=1S/C20H20N2O6/c1-24-18-7-13(8-19(25-2)20(18)26-3)15-9-14(21-22(15)10-23)12-4-5-16-17(6-12)28-11-27-16/h4-8,10,15H,9,11H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2CC(=NN2C=O)C3=CC4=C(C=C3)OCO4	XYKRNAKYHAEBFG-UHFFFAOYSA-N
DG67326	(2Z)-6-methoxy-2-[(5-nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one	54590063	NSC772286; NSC-772286	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772286	.	.	.	.	303.29	C14H9NO5S	110	475	3.4	21	0	6	2	"InChI=1S/C14H9NO5S/c1-19-8-2-4-10-11(6-8)20-12(14(10)16)7-9-3-5-13(21-9)15(17)18/h2-7H,1H3/b12-7-"	COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=C(S3)[N+](=O)[O-])/O2	CQDXPKROJWXZAC-GHXNOFRVSA-N
DG67327	(2Z)-6-methoxy-2-[(5-nitrofuran-2-yl)methylidene]-1-benzofuran-3-one	54590064	NSC772278; NSC-772278	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772278	.	.	.	.	287.22	C14H9NO6	94.5	471	2.8	21	0	6	2	"InChI=1S/C14H9NO6/c1-19-8-2-4-10-11(6-8)21-12(14(10)16)7-9-3-5-13(20-9)15(17)18/h2-7H,1H3/b12-7-"	COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=C(O3)[N+](=O)[O-])/O2	DPFRVEDBZGDCEH-GHXNOFRVSA-N
DG67328	"[(1E,3E)-4-nitro-4-phenylbuta-1,3-dienyl]benzene"	54598349	NSC167268; ZINC16999200; NSC-167268; 1152-00-7	.	.	Investigative Drug(s)	Investigative	Small molecular drug	167268	.	.	.	.	251.28	C16H13NO2	45.8	342	4.5	19	0	2	3	"InChI=1S/C16H13NO2/c18-17(19)16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-13H/b10-7+,16-13+"	C1=CC=C(C=C1)/C=C/C=C(\\C2=CC=CC=C2)/[N+](=O)[O-]	YTKOEZZUXZYTFF-NJKRNUQASA-N
DG67329	"2,9-diamine, N,N,N',N'-tetrakis(2-chloroethyl)-, dihydrochloride (MF1)"	54598368	"53033-80-0; CHEMBL1992377; DTXSID80712452; NSC169716; NSC-169716; 2,9-diamine, N,N,N',N'-tetrakis(2-chloroethyl)-, dihydrochloride (MF1); N~1~,N~1~,N~9~,N~9~-Tetrakis(2-chloroethyl)nona-2,7-diyne-1,9-diamine--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	169716	.	.	.	.	436.7	C17H27Cl5N2	6.5	352	.	24	1	2	12	"InChI=1S/C17H26Cl4N2.ClH/c18-8-14-22(15-9-19)12-6-4-2-1-3-5-7-13-23(16-10-20)17-11-21;/h1-3,8-17H2;1H"	C(CC#CCN(CCCl)CCCl)CC#CCN(CCCl)CCCl.Cl	UDASEIAOTOTJCW-UHFFFAOYSA-N
DG67330	"Hydrazinecarbothioamide, dihydrobromide"	54598640	"70618-70-1; CHEMBL3250567; DTXSID50712525; NSC296300; Hydrazinecarbothioamide, dihydrobromide; NSC-296300; (2E)-N-[5-(Diethylamino)pentan-2-yl]-2-[1-(pyridin-2-yl)ethylidene]hydrazine-1-carbothioamide--hydrogen bromide (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	296300	.	.	.	.	416.4	C17H30BrN5S	84.6	368	.	24	3	4	9	"InChI=1S/C17H29N5S.BrH/c1-5-22(6-2)13-9-10-14(3)19-17(23)21-20-15(4)16-11-7-8-12-18-16;/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3,(H2,19,21,23);1H/b20-15+;"	CCN(CC)CCCC(C)NC(=S)N/N=C(\\C)/C1=CC=CC=N1.Br	GCQUORUMMZFMFS-QMGGKDRNSA-N
DG67331	(2E)-2-(2-methylpropylidene)-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride	54598738	CHEMBL1974287; NSC639500; NSC-639500	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639500	.	.	.	.	257.8	C14H24ClNO	20.3	287	.	17	1	2	3	"InChI=1S/C14H23NO.ClH/c1-11(2)9-12-5-6-13(14(12)16)10-15-7-3-4-8-15;/h9,11,13H,3-8,10H2,1-2H3;1H/b12-9+;"	CC(C)/C=C/1\\CCC(C1=O)CN2CCCC2.Cl	FYTKKMFGJWCZHZ-NBYYMMLRSA-N
DG67332	Antineoplastic-643812	54598755	"NSC643812; ANTINEOPLASTIC-643812; ANTINEOPLASTIC-645646; NSC645646; NSC-643812; NSC-645646; Combretastatin A-4 Phosphate Sodium salt; 3'-O-phosphono-(Z)-combretastatin A-4, hydrate [5:10:6]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645646	.	.	.	.	419.3	C18H21NaO8P+	104	508	.	28	2	8	8	"InChI=1S/C18H21O8P.Na/c1-22-14-8-7-12(9-15(14)26-27(19,20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3;/h5-11H,1-4H3,(H2,19,20,21);/q;+1/b6-5-;"	COC1=C(C=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC)OP(=O)(O)O.[Na+]	HRFFGGIUECGXRH-YSMBQZINSA-N
DG67333	2-[(Z)-2-(4-Chlorophenyl)ethenyl]-1-methylquinolin-1-ium iodide	54598850	5418-77-9; DTXSID40712574; NSC10520; NSC-10520; 2-[(Z)-2-(4-Chlorophenyl)ethenyl]-1-methylquinolin-1-ium iodide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10520	.	.	.	.	407.7	C18H15ClIN	3.9	332	.	21	0	1	2	"InChI=1S/C18H15ClN.HI/c1-20-17(12-8-14-6-10-16(19)11-7-14)13-9-15-4-2-3-5-18(15)20;/h2-13H,1H3;1H/q+1;/p-1/b12-8-;"	C[N+]1=C(C=CC2=CC=CC=C21)/C=C\\C3=CC=C(C=C3)Cl.[I-]	JZIONOMFZALCOC-JCTPKUEWSA-M
DG67334	3-(Dimethylamino)-1-(4-methoxyphenyl)-2-phenylpropan-1-one;hydrobromide	54598857	NSC33556; NSC-33556	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33556	.	.	.	.	364.3	C18H22BrNO2	29.5	315	.	22	1	3	6	"InChI=1S/C18H21NO2.BrH/c1-19(2)13-17(14-7-5-4-6-8-14)18(20)15-9-11-16(21-3)12-10-15;/h4-12,17H,13H2,1-3H3;1H"	CN(C)CC(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OC.Br	IPZXKCDJABZINC-UHFFFAOYSA-N
DG67335	NSC694076	54598865	"(3aS,6R,10S,13E,15aS)-3-Methylene-6,10,14-trimethyl-6,10-epoxy-2,3,3a,4,5,6,7,8,9,10,11,12,15,15a-tetradecahydrocyclotetradeca[b]furan-2-one; CHEMBL1979935; NSC694076; NSC-694076; (3aS,6R,10S,13E,15aS)-3-Methylene-6,10,14-trimethyl-6,10-epoxy-2,3,3a,4,5,6,7,8,9,10,11,12,15,15a-tetradecahydrocyclotetradeca[b]furan-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	694076	.	.	.	.	318.4	C20H30O3	35.5	535	3.9	23	0	3	0	"InChI=1S/C20H30O3/c1-14-7-5-9-19(3)10-6-11-20(4,23-19)12-8-16-15(2)18(21)22-17(16)13-14/h7,16-17H,2,5-6,8-13H2,1,3-4H3/b14-7+/t16-,17-,19+,20+/m0/s1"	C/C/1=C\\CC[C@@]2(CCC[C@@](O2)(CC[C@@H]3[C@H](C1)OC(=O)C3=C)C)C	HDXXAAGZHZREKV-NLSCDXCASA-N
DG67336	Tetranitrotetrazolium blue	54598912	"TNBT; tetranitrotetrazolium blue; Blue p-nitrotetrazolium chloride; Tetranitro-BT; NSC121208; NSC-121208; 2H-Tetrazolium,3'-(3,3'-dimethoxy-4,4'-biphenylylene)bis[2,5-bis(p-nitrophenyl)-, dichloride; 2H-Tetrazolium,3'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[2,5-bis(4-nitrophenyl)-, dichloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121208	.	.	.	.	872.2	C40H28ClN12O10+	271	1420	.	63	0	15	9	"InChI=1S/C40H28N12O10.ClH/c1-61-37-23-27(7-21-35(37)47-43-39(25-3-9-31(10-4-25)49(53)54)41-45(47)29-13-17-33(18-14-29)51(57)58)28-8-22-36(38(24-28)62-2)48-44-40(26-5-11-32(12-6-26)50(55)56)42-46(48)30-15-19-34(20-16-30)52(59)60;/h3-24H,1-2H3;1H/q+2;/p-1"	COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-])OC)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=C(C=C8)[N+](=O)[O-].[Cl-]	VHGSPFITCDCEAV-UHFFFAOYSA-M
DG67337	Sodium;2-amino-3-tritylsulfanylpropanoic acid	54598975	NSC124664; NSC-124664	.	.	Investigative Drug(s)	Investigative	Small molecular drug	124664	.	.	.	.	386.5	C22H21NNaO2S+	88.6	392	.	27	2	4	7	"InChI=1S/C22H21NO2S.Na/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15,20H,16,23H2,(H,24,25);/q;+1"	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N.[Na+]	YQHIGXVUIFOIMJ-UHFFFAOYSA-N
DG67338	"2-(1,3-Diphenylpropan-2-yl)-1,4,5,6-tetrahydropyrimidine;hydrochloride"	54599069	NSC70568; NSC-70568	.	.	Investigative Drug(s)	Investigative	Small molecular drug	70568	.	.	.	.	314.9	C19H23ClN2	24.4	305	.	22	2	1	5	"InChI=1S/C19H22N2.ClH/c1-3-8-16(9-4-1)14-18(19-20-12-7-13-21-19)15-17-10-5-2-6-11-17;/h1-6,8-11,18H,7,12-15H2,(H,20,21);1H"	C1CNC(=NC1)C(CC2=CC=CC=C2)CC3=CC=CC=C3.Cl	ZISQOYMCVDNGDY-UHFFFAOYSA-N
DG67339	"7-Chloro-9-[[3-(dipentylamino)propyl]amino]-1,3,4-tetrahydroacridine, phosphate (3:2)"	54599265	"5336-88-9; NSC384; DTXSID50712686; NSC-384; 7-CHLORO-9-[[3-(DIPENTYLAMINO)PROPYL]AMINO]-1,3,4-TETRAHYDROACRIDINE, PHOSPHATE (3:2); Phosphoric acid--N~3~-(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N~1~,N~1~-dipentylpropane-1,3-diamine (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	384	.	.	.	.	528.1	C26H43ClN3O4P	106	499	.	35	4	7	13	"InChI=1S/C26H40ClN3.H3O4P/c1-3-5-9-17-30(18-10-6-4-2)19-11-16-28-26-22-12-7-8-13-24(22)29-25-15-14-21(27)20-23(25)26;1-5(2,3)4/h14-15,20H,3-13,16-19H2,1-2H3,(H,28,29);(H3,1,2,3,4)"	CCCCCN(CCCCC)CCCNC1=C2CCCCC2=NC3=C1C=C(C=C3)Cl.OP(=O)(O)O	NSMUFRYYCJQJCM-UHFFFAOYSA-N
DG67340	"2,5-Dimethoxy-N,N-dimethyl-4-[(Z)-2-(quinolin-4-yl)ethenyl]aniline"	54599355	"978-16-5; CHEMBL1970447; DTXSID20712734; NSC268804; ZINC17062667; NSC-268804; 2,5-Dimethoxy-N,N-dimethyl-4-[(Z)-2-(quinolin-4-yl)ethenyl]aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	268804	.	.	.	.	334.4	C21H22N2O2	34.6	440	4.5	25	0	4	5	"InChI=1S/C21H22N2O2/c1-23(2)19-14-20(24-3)16(13-21(19)25-4)10-9-15-11-12-22-18-8-6-5-7-17(15)18/h5-14H,1-4H3/b10-9-"	CN(C)C1=C(C=C(C(=C1)OC)/C=C\\C2=CC=NC3=CC=CC=C23)OC	WNRMQAWGIWTTME-KTKRTIGZSA-N
DG67341	1-[N'-[3-[(6-methoxyquinolin-8-yl)amino]propyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride	54599371	NSC54848; NSC-54848	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54848	.	.	.	.	393.9	C18H28ClN7O	123	480	.	27	5	5	9	"InChI=1S/C18H27N7O.ClH/c1-12(2)24-18(20)25-17(19)23-9-5-8-21-15-11-14(26-3)10-13-6-4-7-22-16(13)15;/h4,6-7,10-12,21H,5,8-9H2,1-3H3,(H5,19,20,23,24,25);1H"	CC(C)N=C(N)NC(=NCCCNC1=C2C(=CC(=C1)OC)C=CC=N2)N.Cl	OXKBOWXGCSENSA-UHFFFAOYSA-N
DG67342	NSC56736	54599374	N-[(E)-(3-chlorophenyl)methylideneamino]-2-[1-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide; MLS002667842; NSC56736; NSC-56736; 6938-99-4	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56736	.	.	.	.	451.4	C20H20Cl2N4O2S	108	555	4.9	29	2	5	8	"InChI=1S/C20H20Cl2N4O2S/c1-13(19(27)25-23-11-15-5-3-7-17(21)9-15)29-14(2)20(28)26-24-12-16-6-4-8-18(22)10-16/h3-14H,1-2H3,(H,25,27)(H,26,28)/b23-11-,24-12+"	CC(C(=O)N/N=C/C1=CC(=CC=C1)Cl)SC(C)C(=O)N/N=C\\C2=CC(=CC=C2)Cl	RDHHPZFEIPDNPL-QEUMEHMPSA-N
DG67343	N''-[(Z)-(4-Fluorophenyl)(phenyl)methylidene]carbonohydrazonic diamide--hydrogen chloride (1/1)	54599426	1511-38-2; DTXSID50712762; NSC68088; NSC-68088; N''-[(Z)-(4-Fluorophenyl)(phenyl)methylidene]carbonohydrazonic diamide--hydrogen chloride (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	68088	.	.	.	.	292.74	C14H14ClFN4	76.8	335	.	20	3	3	3	"InChI=1S/C14H13FN4.ClH/c15-12-8-6-11(7-9-12)13(18-19-14(16)17)10-4-2-1-3-5-10;/h1-9H,(H4,16,17,19);1H/b18-13-;"	C1=CC=C(C=C1)/C(=N/N=C(N)N)/C2=CC=C(C=C2)F.Cl	VZWIGDGBBNXWOI-AAKIMCHBSA-N
DG67344	4-Hydroxyaminoquinoline 1-oxide monohydrochloride	54599544	"4-Hydroxyaminoquinoline 1-oxide monohydrochloride; Quinoline, 1-oxide, hydrochloride; NSC78572; WLN: T66 BNJ BO EMQ &GH; NSC-78572; Quinoline, 1-oxide, monohydrochloride; 4-Quinolinamine, 1-oxide, monohydrochloride; 4-(Hydroxyamino)quinoline 1-oxide hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	78572	.	.	.	.	211.62	C9H8ClN2O2-	56.1	250	.	14	2	5	0	"InChI=1S/C9H8N2O2.ClH/c12-10-8-5-6-11(13)9-4-2-1-3-7(8)9;/h1-6,12-13H;1H/p-1/b10-8-;"	C1=CC=C2C(=C1)/C(=N\\O)/C=CN2O.[Cl-]	QSXDAZCGWHRQME-DQMXGCRQSA-M
DG67345	"(E)-1-(3,2-a]pyridin-3-yl)prop-2-en-1-one"	54599698	"CHEMBL3218661; NSC750746; NSC-750746; (E)-1-(3,2-a]pyridin-3-yl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750746	.	.	.	.	376.3	C19H15F3N2O3	52.8	555	4.4	27	0	7	5	"InChI=1S/C19H15F3N2O3/c1-26-15-9-6-12(11-16(15)27-2)14(25)8-7-13-18(19(20,21)22)23-17-5-3-4-10-24(13)17/h3-11H,1-2H3/b8-7+"	COC1=C(C=C(C=C1)C(=O)/C=C/C2=C(N=C3N2C=CC=C3)C(F)(F)F)OC	ZSKDPZULCCQUAO-BQYQJAHWSA-N
DG67346	"2-{(Z)-2-[4-(Dimethylamino)phenyl]ethenyl}-1,3,3-trimethyl-3H-indol-1-ium chloride--hydrogen chloride (1/1/1)"	54599828	"7400-48-8; DTXSID10712844; NSC31768; NSC-31768; 2-{(Z)-2-[4-(Dimethylamino)phenyl]ethenyl}-1,3,3-trimethyl-3H-indol-1-ium chloride--hydrogen chloride (1/1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	31768	.	.	.	.	377.3	C21H26Cl2N2	6.2	478	.	25	1	2	3	"InChI=1S/C21H25N2.2ClH/c1-21(2)18-8-6-7-9-19(18)23(5)20(21)15-12-16-10-13-17(14-11-16)22(3)4;;/h6-15H,1-5H3;2*1H/q+1;;/p-1"	CC1(C2=CC=CC=C2[N+](=C1/C=C\\C3=CC=C(C=C3)N(C)C)C)C.Cl.[Cl-]	KLWLDBYSWRVJKO-UHFFFAOYSA-M
DG67347	"3-Morpholin-4-yl-1,2-diphenylpropan-1-one;hydrobromide"	54599888	NSC33560; NSC-33560	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33560	.	.	.	.	376.3	C19H22BrNO2	29.5	339	.	23	1	3	5	"InChI=1S/C19H21NO2.BrH/c21-19(17-9-5-2-6-10-17)18(16-7-3-1-4-8-16)15-20-11-13-22-14-12-20;/h1-10,18H,11-15H2;1H"	C1COCCN1CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3.Br	JJJUWGNILOMGSK-UHFFFAOYSA-N
DG67348	2-[Bis(4-methylphenyl)methylideneamino]guanidine;hydrochloride	54599910	21083-92-1; DTXSID50712868; NSC67480; NSC-67480; N''-[Bis(4-methylphenyl)methylidene]carbonohydrazonic diamide--hydrogen chloride (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67480	.	.	.	.	302.8	C16H19ClN4	76.8	331	.	21	3	2	3	"InChI=1S/C16H18N4.ClH/c1-11-3-7-13(8-4-11)15(19-20-16(17)18)14-9-5-12(2)6-10-14;/h3-10H,1-2H3,(H4,17,18,20);1H"	CC1=CC=C(C=C1)C(=NN=C(N)N)C2=CC=C(C=C2)C.Cl	OLJPWEXJNBNEHQ-UHFFFAOYSA-N
DG67349	Azane;[4-[(dithiocarboxyamino)methyl]cyclohexyl]methylcarbamodithioic acid	54600120	CHEMBL1997428; NSC136468; NSC-136468	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136468	.	.	.	.	311.6	C10H21N3S4	91.2	223	.	17	5	5	4	"InChI=1S/C10H18N2S4.H3N/c13-9(14)11-5-7-1-2-8(4-3-7)6-12-10(15)16;/h7-8H,1-6H2,(H2,11,13,14)(H2,12,15,16);1H3"	C1CC(CCC1CNC(=S)S)CNC(=S)S.N	RUCYZBVEMZAFSG-UHFFFAOYSA-N
DG67350	"(Z)-N-[1-hydroxy-3-(methylsulfanylmethylsulfanyl)propan-2-yl]-2-methyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide"	54600364	CHEMBL1986204; NSC208916; NSC-208916	.	.	Investigative Drug(s)	Investigative	Small molecular drug	208916	.	.	.	.	359.5	C14H21N3O4S2	158	546	0.3	23	4	6	8	"InChI=1S/C14H21N3O4S2/c1-8(4-11-9(2)15-14(21)17-13(11)20)12(19)16-10(5-18)6-23-7-22-3/h4,10,18H,5-7H2,1-3H3,(H,16,19)(H2,15,17,20,21)/b8-4-"	CC1=C(C(=O)NC(=O)N1)/C=C(/C)\\C(=O)NC(CO)CSCSC	PHNDAAHKXMCWTN-YWEYNIOJSA-N
DG67351	NSC181500	54600368	1-[4-[(E)-N-(diaminomethylideneamino)-C-ethylcarbonimidoyl]phenyl]-3-[4-[(Z)-N-(diaminomethylideneamino)-C-ethylcarbonimidoyl]phenyl]urea;hydrochloride; NSC181500; NSC-181500	.	.	Investigative Drug(s)	Investigative	Small molecular drug	181500	.	.	.	.	473	C21H29ClN10O	195	661	.	33	7	5	8	"InChI=1S/C21H28N10O.ClH/c1-3-17(28-30-19(22)23)13-5-9-15(10-6-13)26-21(32)27-16-11-7-14(8-12-16)18(4-2)29-31-20(24)25;/h5-12H,3-4H2,1-2H3,(H4,22,23,30)(H4,24,25,31)(H2,26,27,32);1H/b28-17-,29-18+;"	CC/C(=N\\N=C(N)N)/C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)/C(=N\\N=C(N)N)/CC.Cl	XLJJSLPTPPLFKM-COHKWDRDSA-N
DG67352	"(Z)-N-[1-hydroxy-3-(methylsulfanylmethylsulfanyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide"	54600519	CHEMBL1968870; NSC251820; NSC-251820; 61787-30-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	251820	.	.	.	.	345.4	C13H19N3O4S2	158	506	-0.1	22	4	6	8	"InChI=1S/C13H19N3O4S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-22-7-21-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3-"	CC1=C(C(=O)NC(=O)N1)/C=C\\C(=O)NC(CO)CSCSC	LJFIHLCSTKGOGE-ARJAWSKDSA-N
DG67353	Sungucin	54600645	Sungucine; Sungucin; CHEMBL1967229; NSC325308; NSC-325308	.	.	Investigative Drug(s)	Investigative	Small molecular drug	325308	.	.	.	.	634.8	C42H42N4O2	47.1	1640	4.1	48	0	4	1	"InChI=1S/C42H42N4O2/c1-3-23-21-43-16-15-41-30-9-5-8-12-33(30)46-39(41)28(27(23)18-35(41)43)17-29(40(46)48)34-20-42-31-10-6-7-11-32(31)45-37(47)14-13-25(38(42)45)26-19-36(42)44(34)22-24(26)4-2/h3-14,17,25-28,34-36,38-39H,15-16,18-22H2,1-2H3/b23-3-,24-4-"	C/C=C\\1/CN2CCC34C2CC1C5C3N(C6=CC=CC=C46)C(=O)C(=C5)C7CC89C1N7C/C(=C/C)/C(C1)C1C8N(C(=O)C=C1)C1=CC=CC=C91	VCDMHIARBYKHSB-JMKAPJPZSA-N
DG67354	2-[2-(Diethylamino)ethyl]ellipticinium bromide hemihydrobromide	54600648	"CHEMBL1990034; NSC353076; NSC-353076; 2-[2-(Diethylamino)ethyl]ellipticinium bromide hemihydrobromide; 6H-Pyrido[4, 2-[2-(diethylamino)ethyl]-5,11-dimethyl-, bromide, hydrobromide (2:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353076	.	.	.	.	507.3	C23H29Br2N3	22.9	462	.	28	2	2	5	"InChI=1S/C23H27N3.2BrH/c1-5-25(6-2)13-14-26-12-11-18-17(4)23-22(16(3)20(18)15-26)19-9-7-8-10-21(19)24-23;;/h7-12,15H,5-6,13-14H2,1-4H3;2*1H"	CCN(CC)CC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.Br.[Br-]	JBKJTXLCDTVQCY-UHFFFAOYSA-N
DG67355	"2, 2'-(4-Ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-, trihydrochloride"	54600704	"Bisbenzimide; NSC334072; NSC-334072; 2, 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-, trihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	334072	.	.	.	.	489	C27H29ClN6O	73.1	664	.	35	3	5	5	"InChI=1S/C27H28N6O.ClH/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33;/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31);1H"	CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C.Cl	OTMWRDPOAAYNCR-UHFFFAOYSA-N
DG67356	"4-[(E)-2-(6-bromo-1-ethylquinolin-1-ium-2-yl)ethenyl]-N,N-bis(2-chloroethyl)aniline;iodide"	54600726	CHEMBL2006586; NSC640084; NSC-640084	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640084	.	.	.	.	606.2	C23H24BrCl2IN2	7.1	475	.	29	0	2	8	"InChI=1S/C23H24BrCl2N2.HI/c1-2-28-22(11-6-19-17-20(24)7-12-23(19)28)10-5-18-3-8-21(9-4-18)27(15-13-25)16-14-26;/h3-12,17H,2,13-16H2,1H3;1H/q+1;/p-1"	CC[N+]1=C(C=CC2=C1C=CC(=C2)Br)/C=C/C3=CC=C(C=C3)N(CCCl)CCCl.[I-]	LMSDUJRQIULFSE-UHFFFAOYSA-M
DG67357	NSC643248	54600729	"23,1-c] [1,4]Oxaazacyclohentriacontine-1,5,11,28,29-pentone-, 1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31, 32,33,34,34a-tetracosahydro-27-hydroxy-10,21-dimethoxy-3-[2-[3-methoxy-4-[1-oxo-3-(dimethylamino)propoxy]cyclohexyl]-1-methylethyl]-6,8,12,14,20,26-hexamethyl-9-[1-oxo-3-(dimethylamino)propoxy]-, stereoisomer; NSC643248; NSC-643248; 23,1-c] [1,4]oxaazacyclohentriacontine-1,5,11,28,29-pentone-, 1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31, 32,33,34,34a-tetracosahydro- 27-hydroxy-10,21-dimethoxy-3-[2-[3-methoxy-4-[1-oxo- 3-(dimethylamino)propoxy]cyclohexyl]-1-methylethyl]- 6,8,12,14,20,26-hexamethyl- 9-[1-oxo-3-(dimethylamino)propoxy]-, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643248	.	.	.	.	1168.5	C65H105N3O15	214	2240	8.6	83	1	17	20	"InChI=1S/C65H105N3O15/c1-15-66(16-2)34-31-57(70)80-53-30-28-49(39-56(53)78-13)38-45(8)55-41-52(69)44(7)37-47(10)60(82-58(71)32-35-67(17-3)18-4)61(79-14)59(72)46(9)36-42(5)24-20-19-21-25-43(6)54(77-12)40-50-29-27-48(11)65(76,83-50)62(73)63(74)68-33-23-22-26-51(68)64(75)81-55/h19-21,24-25,37,42,44-46,48-51,53-56,60-61,76H,15-18,22-23,26-36,38-41H2,1-14H3/b21-19+,24-20+,43-25 ,47-37 /t42 ,44 ,45 ,46-,48-,49+,50 ,51 ,53-,54 ,55+,56 ,60-,61 ,65-/m0/s1"	CCN(CC)CCC(=O)O[C@H]1CC[C@@H](CC1OC)CC(C)[C@H]2CC(=O)C(C=C([C@@H](C(C(=O)[C@H](CC(/C=C/C=C/C=C(C(CC3CC[C@@H]([C@](O3)(C(=O)C(=O)N4CCCCC4C(=O)O2)O)C)OC)C)C)C)OC)OC(=O)CCN(CC)CC)C)C	ORVYOCOKBVMPLA-XGBKAKJLSA-N
DG67358	"Diammine-1,10,16-tetraoxa-4,13-diazacyclooctadecane-platinum(II)dichloride"	54600828	"NSC632608; NSC-632608; Diammine-1,10,16-tetraoxa-4,13-diazacyclooctadecane- platinum(II)dichloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632608	.	.	.	.	513.94	C12H33ClN3O4Pt+7	29.1	144	.	21	7	4	0	"InChI=1S/C12H26N2O4.ClH.H3N.Pt/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1;;;/h13-14H,1-12H2;1H;1H3;/q;;;+4/p+3"	C1C[OH+]CC[OH+]CCNCC[OH+]CC[OH+]CCN1.N.[Cl-].[Pt+4]	FSUKXSJAASNGJR-UHFFFAOYSA-Q
DG67359	NSC668916	54600914	"prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5,17-dihydroxy-2-methyl-4-oxo-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14(19),15,17-tetraen-6,10-diyne-13-carboxylate; CHEMBL1983837; NSC668916; NSC-668916"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668916	.	.	.	.	417.4	C24H19NO6	99.6	1040	1.7	31	2	6	3	"InChI=1S/C24H19NO6/c1-3-12-30-21(28)25-18-10-9-16(26)14-17(18)24-22(29)11-7-5-4-6-8-19(25)23(24,31-24)15(2)13-20(22)27/h3-5,9-10,14-15,19,26,29H,1,12-13H2,2H3/b5-4-/t15-,19-,22-,23-,24-/m0/s1"	C[C@H]1CC(=O)[C@]2(C#C/C=C\\C#C[C@H]3[C@]14[C@]2(O4)C5=C(N3C(=O)OCC=C)C=CC(=C5)O)O	UAAMEOYPINWBRY-KFOFRCPYSA-N
DG67360	"3-(diethylamino)-N-(6,11-dihydroxy-5,12-dioxotetracen-1-yl)propanamide;hydrochloride"	54600915	NSC150837; NSC-150837	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150837	.	.	.	.	468.9	C25H25ClN2O5	107	723	.	33	4	6	6	"InChI=1S/C25H24N2O5.ClH/c1-3-27(4-2)13-12-18(28)26-17-11-7-10-16-19(17)25(32)21-20(24(16)31)22(29)14-8-5-6-9-15(14)23(21)30;/h5-11,29-30H,3-4,12-13H2,1-2H3,(H,26,28);1H"	CCN(CC)CCC(=O)NC1=CC=CC2=C1C(=O)C3=C(C4=CC=CC=C4C(=C3C2=O)O)O.Cl	WWVOQICGZNTEOR-UHFFFAOYSA-N
DG67361	Pubchem_54601070	54601070	"6273-53-6; DTXSID10713053; PUBCHEM_54601070; NSC35617; NSC-35617; 1, 7,7'-azoxybis [[[[[(2-sulfo-4,1-phenylene-2,1-ethenediyl)-3-sulfo-4,1- phenylene]azo]-4,1-phenylene]azo]bis-, octasodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35617	.	.	.	.	1582.6	C60H42N10NaO25S8+	642	4160	.	104	8	34	22	"InChI=1S/C60H42N10O25S8.Na/c71-70(50-24-10-38(58(32-50)101(87,88)89)4-3-36-6-12-48(30-56(36)99(81,82)83)68-64-44-22-18-42(19-23-44)62-66-46-14-9-40-26-52(97(75,76)77)34-60(54(40)28-46)103(93,94)95)69-49-15-7-37(57(31-49)100(84,85)86)2-1-35-5-11-47(29-55(35)98(78,79)80)67-63-43-20-16-41(17-21-43)61-65-45-13-8-39-25-51(96(72,73)74)33-59(53(39)27-45)102(90,91)92;/h1-34H,(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95);/q;+1/b2-1+,4-3+,65-61 ,66-62 ,67-63 ,68-64 ,70-69 ;"	C1=CC(=CC=C1N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)N=NC4=CC(=C(C=C4)/C=C/C5=C(C=C(C=C5)N=[N+](C6=CC(=C(C=C6)/C=C/C7=C(C=C(C=C7)N=NC8=CC=C(C=C8)N=NC9=CC1=C(C=C(C=C1C=C9)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)[O-])S(=O)(=O)O)S(=O)(=O)O.[Na+]	DNNJCJMEUUJKGJ-SHFIEPTGSA-N
DG67362	Selendale	54601159	NSC347466; Selendale; WLN: NA2 SE-O3; Sodium selenium oxide (Na2SeO3)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	347466	.	.	.	.	151.97	H2NaO3Se+	57.5	26.3	.	5	2	3	0	"InChI=1S/Na.H2O3Se/c;1-4(2)3/h;(H2,1,2,3)/q+1;"	O[Se](=O)O.[Na+]	OHYAUPVXSYITQV-UHFFFAOYSA-N
DG67363	Di-p-tolyliodinium bromide	54601177	Di-p-tolyliodinium bromide; NSC8985; NSC-8985; WLN: 1R D-I-R D1 &E &6/14	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8985	.	.	.	.	390.08	C14H15BrI+	0	154	.	16	1	0	2	"InChI=1S/C14H14I.BrH/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;/h3-10H,1-2H3;1H/q+1;"	CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C.Br	YCZWJBIXAUQULS-UHFFFAOYSA-N
DG67364	"N,N-dimethyl-4-[(Z)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;iodide"	54601194	SCHEMBL9394921; A-7; NSC10517; NSC-10517	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10517	.	.	.	.	366.24	C16H19IN2	7.1	264	.	19	0	2	3	"InChI=1S/C16H19N2.HI/c1-17(2)15-10-7-14(8-11-15)9-12-16-6-4-5-13-18(16)3;/h4-13H,1-3H3;1H/q+1;/p-1"	C[N+]1=CC=CC=C1/C=C\\C2=CC=C(C=C2)N(C)C.[I-]	XPOIQAIBZGSIDD-UHFFFAOYSA-M
DG67365	"Benzaldehyde, (4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazone, monohydrochloride"	54601300	"NSC103073; NSC-103073; Benzaldehyde, (4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazone, monohydrochloride; o-Tolualdehyde, (4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazone, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	103073	.	.	.	.	450.8	C17H26Cl3N7O	93.6	453	.	28	3	7	10	"InChI=1S/C17H25Cl2N7O.ClH/c1-4-27-16-10-14(11-21-23-17-24-22-13(3)26(17)20)12(2)9-15(16)25(7-5-18)8-6-19;/h9-11H,4-8,20H2,1-3H3,(H,23,24);1H/b21-11-;"	CCOC1=C(C=C(C(=C1)/C=N\\NC2=NN=C(N2N)C)C)N(CCCl)CCCl.Cl	BMWOCJHMIDZTNJ-KELDOBJCSA-N
DG67366	1-[(Z)-(2-methoxyphenyl)methylideneamino]-2-[(E)-(2-methoxyphenyl)methylideneamino]guanidine	54601314	NSC69413; NSC-69413	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69413	.	.	.	.	325.4	C17H19N5O2	93.6	452	2.5	24	2	5	7	"InChI=1S/C17H19N5O2/c1-23-15-9-5-3-7-13(15)11-19-21-17(18)22-20-12-14-8-4-6-10-16(14)24-2/h3-12H,1-2H3,(H3,18,21,22)/b19-11-,20-12+"	COC1=CC=CC=C1/C=N\\N/C(=N\\N=C\\C2=CC=CC=C2OC)/N	IENIGYDXVJYENX-UHWBUFEVSA-N
DG67367	1-[(Z)-(2-nitrophenyl)methylideneamino]-3-[(E)-(2-nitrophenyl)methylideneamino]thiourea	54601410	MLS002667460; NSC51361; ZINC8617058; NSC-51361; 6344-99-6	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51361	.	.	.	.	372.4	C15H12N6O4S	173	526	2.9	26	2	7	4	"InChI=1S/C15H12N6O4S/c22-20(23)13-7-3-1-5-11(13)9-16-18-15(26)19-17-10-12-6-2-4-8-14(12)21(24)25/h1-10H,(H2,18,19,26)/b16-9-,17-10+"	C1=CC=C(C(=C1)/C=N/NC(=S)N/N=C\\C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]	MSEWEKWTCRFOSN-ZAGBYUSBSA-N
DG67368	1-[N'-[4-[(6-methoxyquinolin-8-yl)amino]butyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride	54601442	NSC53861; NSC-53861	.	.	Investigative Drug(s)	Investigative	Small molecular drug	53861	.	.	.	.	407.9	C19H30ClN7O	123	494	.	28	5	5	10	"InChI=1S/C19H29N7O.ClH/c1-13(2)25-19(21)26-18(20)24-9-5-4-8-22-16-12-15(27-3)11-14-7-6-10-23-17(14)16;/h6-7,10-13,22H,4-5,8-9H2,1-3H3,(H5,20,21,24,25,26);1H"	CC(C)N=C(N)NC(=NCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2)N.Cl	RJEVQWXLXOTZLF-UHFFFAOYSA-N
DG67369	"[1, 4'-Chloro-5-[(7-chloro-4-quinolinyl)amino]-3-[[(1,1-dimethylethyl)amino]methyl]-, dihydrochloride"	54601565	"93338-11-5; CHEMBL1983590; DTXSID90918504; NSC364657; NSC-364657; [1, 4'-chloro-5-[(7-chloro- 4-quinolinyl)amino]-3-[[(1,1-dimethylethyl)amino]methyl]-, dihydrochloride; 3-[(tert-Butylamino)methyl]-4'-chloro-5-[(7-chloroquinolin-4-yl)amino][1,1'-biphenyl]-2-ol--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	364657	.	.	.	.	502.9	C26H26Cl3N3O	57.2	592	.	33	4	4	6	"InChI=1S/C26H25Cl2N3O.ClH/c1-26(2,3)30-15-17-12-20(14-22(25(17)32)16-4-6-18(27)7-5-16)31-23-10-11-29-24-13-19(28)8-9-21(23)24;/h4-14,30,32H,15H2,1-3H3,(H,29,31);1H"	CC(C)(C)NCC1=C(C(=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)C4=CC=C(C=C4)Cl)O.Cl	KPSHZFLFSGVOHU-UHFFFAOYSA-N
DG67370	"iH-Pyrano[3',7]indolizino[1,2-b]quinoline,4-aminobenzoic acid deriv."	54601571	"CHEMBL2003903; NSC681641; NSC-681641; iH-Pyrano[3',7]indolizino[1,2-b]quinoline,4-aminobenzoic acid deriv.; Benzoic acid, [(4-ethyl-3,4,12,14-tetrahydro- 4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino [1,2-b]quinolin-11-yl)methylene]hydrazide,monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681641	.	.	.	.	546	C28H24ClN5O5	147	1110	.	39	4	8	4	"InChI=1S/C28H23N5O5.ClH/c1-2-28(37)21-11-23-24-19(13-33(23)26(35)20(21)14-38-27(28)36)18(17-5-3-4-6-22(17)31-24)12-30-32-25(34)15-7-9-16(29)10-8-15;/h3-12,37H,2,13-14,29H2,1H3,(H,32,34);1H/b30-12+;/t28-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N/NC(=O)C6=CC=C(C=C6)N)O.Cl	AJGVFWAVHIKETD-DAIHKNLPSA-N
DG67371	"Hydrazinecarboimidamide,2'-(2,8-dibenzofurandiyldiethylidyne)bis(N-methyl-, dihydrochloride"	54601621	"CHEMBL1965892; NSC327929; NSC-327929; Hydrazinecarboimidamide,2'-(2,8-dibenzofurandiyldiethylidyne)bis(N-methyl-, dihydrochloride; Hydrazinecarboximidamide,2'-(2,8-dibenzofurandiyldiethylidyne)bis[N-methyl-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	327929	.	.	.	.	428.9	C20H25ClN8O	139	643	.	30	5	5	6	"InChI=1S/C20H24N8O.ClH/c1-11(25-27-19(21)23-3)13-5-7-17-15(9-13)16-10-14(6-8-18(16)29-17)12(2)26-28-20(22)24-4;/h5-10H,1-4H3,(H3,21,23,27)(H3,22,24,28);1H/b25-11+,26-12+;"	C/C(=N\\NC(=NC)N)/C1=CC2=C(OC3=C2C=C(C=C3)/C(=N/NC(=NC)N)/C)C=C1.Cl	IAZNZJUNBYYLHV-UVIWNNOESA-N
DG67372	"(3Z,5Z)-1,1-dimethyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-1-ium-4-one;iodide"	54601651	CHEMBL2001967; NSC634793; NSC-634793	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634793	.	.	.	.	523.5	C23H26INOS2	67.7	531	.	28	0	4	4	"InChI=1S/C23H26NOS2.HI/c1-24(2)15-19(13-17-5-9-21(26-3)10-6-17)23(25)20(16-24)14-18-7-11-22(27-4)12-8-18;/h5-14H,15-16H2,1-4H3;1H/q+1;/p-1/b19-13-,20-14-;"	C[N+]1(C/C(=C/C2=CC=C(C=C2)SC)/C(=O)/C(=C\\C3=CC=C(C=C3)SC)/C1)C.[I-]	MQLRWPDIJRQUCM-RPQATXMZSA-M
DG67373	"1-butyl-2-[(Z)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium;iodide"	54601751	NSC263626; NSC-263626	.	.	Investigative Drug(s)	Investigative	Small molecular drug	263626	.	.	.	.	505.4	C24H28INO3	31.6	469	.	29	0	4	8	"InChI=1S/C24H28NO3.HI/c1-5-6-15-25-19(12-11-18-9-7-8-10-22(18)25)13-14-21-23(27-3)16-20(26-2)17-24(21)28-4;/h7-14,16-17H,5-6,15H2,1-4H3;1H/q+1;/p-1/b14-13-;"	CCCC[N+]1=C(C=CC2=CC=CC=C21)/C=C\\C3=C(C=C(C=C3OC)OC)OC.[I-]	CCZVVSALPPSFTB-HPWRNOGASA-M
DG67374	"9-(4-Methylphenyl)purine-2,6-diamine;hydrochloride"	54601764	CHEMBL1980640; NSC29606; NSC-29606	.	.	Investigative Drug(s)	Investigative	Small molecular drug	29606	.	.	.	.	276.72	C12H13ClN6	95.6	290	.	19	3	5	1	"InChI=1S/C12H12N6.ClH/c1-7-2-4-8(5-3-7)18-6-15-9-10(13)16-12(14)17-11(9)18;/h2-6H,1H3,(H4,13,14,16,17);1H"	CC1=CC=C(C=C1)N2C=NC3=C(N=C(N=C32)N)N.Cl	GEAUWFXFIRNXAI-UHFFFAOYSA-N
DG67375	N-[(E)-1-quinolin-8-ylethylideneamino]azepane-1-carbothioamide	54601897	MLS002701863; CHEMBL1984362; ZINC5551185; NSC363951; NSC-363951	.	.	Investigative Drug(s)	Investigative	Small molecular drug	363951	.	.	.	.	326.5	C18H22N4S	72.6	429	3.5	23	1	3	2	"InChI=1S/C18H22N4S/c1-14(16-10-6-8-15-9-7-11-19-17(15)16)20-21-18(23)22-12-4-2-3-5-13-22/h6-11H,2-5,12-13H2,1H3,(H,21,23)/b20-14+"	C/C(=N\\NC(=S)N1CCCCCC1)/C2=CC=CC3=C2N=CC=C3	KKURDNASMPVGKT-XSFVSMFZSA-N
DG67376	"Ethanamine,11-dimethyl-6H-pyrido [4,3-b]carbazol-9-yl) oxy]-N,N-dimethyl-, dihydrochloride"	54601911	"NSC-338258; CHEMBL1965457; NSC338258; Ethanamine,11-dimethyl-6H-pyrido [4,3-b]carbazol-9-yl) oxy]-N,N-dimethyl-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338258	.	.	.	.	369.9	C21H24ClN3O	41.2	456	.	26	2	3	4	"InChI=1S/C21H23N3O.ClH/c1-13-18-12-22-8-7-16(18)14(2)21-20(13)17-11-15(5-6-19(17)23-21)25-10-9-24(3)4;/h5-8,11-12,23H,9-10H2,1-4H3;1H"	CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OCCN(C)C)C.Cl	VAQMKTWTRBFULR-UHFFFAOYSA-N
DG67377	Bis(4-tert-butylphenyl)iodanium;hydrochloride	54602012	NSC8994; NSC-8994	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8994	.	.	.	.	429.8	C20H27ClI+	0	272	.	22	1	0	4	"InChI=1S/C20H26I.ClH/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;/h7-14H,1-6H3;1H/q+1;"	CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C.Cl	JHPUIEDIXRYPTP-UHFFFAOYSA-N
DG67378	"Sulfuric acid--N~1~,N~1~-diethyl-N~3~-[(2-phenylquinolin-4-yl)methyl]propane-1,3-diamine (1/1)"	54602013	"5428-82-0; DTXSID80713262; NSC13318; NSC-13318; Sulfuric acid--N~1~,N~1~-diethyl-N~3~-[(2-phenylquinolin-4-yl)methyl]propane-1,3-diamine (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13318	.	.	.	.	445.6	C23H31N3O4S	111	457	.	31	3	7	9	"InChI=1S/C23H29N3.H2O4S/c1-3-26(4-2)16-10-15-24-18-20-17-23(19-11-6-5-7-12-19)25-22-14-9-8-13-21(20)22;1-5(2,3)4/h5-9,11-14,17,24H,3-4,10,15-16,18H2,1-2H3;(H2,1,2,3,4)"	CCN(CC)CCCNCC1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3.OS(=O)(=O)O	SFPDEGBVWNQOSH-UHFFFAOYSA-N
DG67379	"1-N,1-N-diethyl-4-N-(2-methoxy-6-methylacridin-9-yl)pentane-1,4-diamine;hydrochloride"	54602016	NSC14079; NSC-14079	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14079	.	.	.	.	416	C24H34ClN3O	37.4	455	.	29	2	4	9	"InChI=1S/C24H33N3O.ClH/c1-6-27(7-2)14-8-9-18(4)25-24-20-12-10-17(3)15-23(20)26-22-13-11-19(28-5)16-21(22)24;/h10-13,15-16,18H,6-9,14H2,1-5H3,(H,25,26);1H"	CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)C)OC.Cl	WYVZBZLZJFKWJP-UHFFFAOYSA-N
DG67380	"(3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide"	54602033	CHEMBL1993879; NSC634791; NSC-634791	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634791	.	.	.	.	573.6	C29H40IN3O	23.6	630	.	34	0	4	8	"InChI=1S/C29H40N3O.HI/c1-7-30(8-2)27-15-11-23(12-16-27)19-25-21-32(5,6)22-26(29(25)33)20-24-13-17-28(18-14-24)31(9-3)10-4;/h11-20H,7-10,21-22H2,1-6H3;1H/q+1;/p-1/b25-19-,26-20-;"	CCN(C1=CC=C(C=C1)/C=C/2\\C(=O)/C(=C\\C3=CC=C(C=C3)N(CC)CC)/C[N+](C2)(C)C)CC.[I-]	ZNCMAKURCNUNLQ-BJIYWVBBSA-M
DG67381	4-(1H-benzimidazol-2-ylmethylamino)benzoic acid;hydrochloride	54602043	CHEMBL4296906; NSC56779; NSC-56779	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56779	.	.	.	.	303.74	C15H14ClN3O2	78	342	.	21	4	4	4	"InChI=1S/C15H13N3O2.ClH/c19-15(20)10-5-7-11(8-6-10)16-9-14-17-12-3-1-2-4-13(12)18-14;/h1-8,16H,9H2,(H,17,18)(H,19,20);1H"	C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)C(=O)O.Cl	LMWOSKXOUYEVPI-UHFFFAOYSA-N
DG67382	"N''-[(1Z,2E)-1,3-Bis(4-chlorophenyl)but-2-en-1-ylidene]carbonohydrazonic diamide--hydrogen chloride (1/1)"	54602148	"29456-77-7; DTXSID80713287; NSC305762; NSC-305762; N''-[(1Z,2E)-1,3-Bis(4-chlorophenyl)but-2-en-1-ylidene]carbonohydrazonic diamide--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305762	.	.	.	.	383.7	C17H17Cl3N4	76.8	467	.	24	3	2	4	"InChI=1S/C17H16Cl2N4.ClH/c1-11(12-2-6-14(18)7-3-12)10-16(22-23-17(20)21)13-4-8-15(19)9-5-13;/h2-10H,1H3,(H4,20,21,23);1H/b11-10+,22-16-;"	C/C(=C\\C(=N\\N=C(N)N)\\C1=CC=C(C=C1)Cl)/C2=CC=C(C=C2)Cl.Cl	QTCLZZDTCCPKOA-ZEJDMSDLSA-N
DG67383	Euserotin	54602158	Euserotin; CHEMBL1985554; NSC311046; NSC-311046	.	.	Investigative Drug(s)	Investigative	Small molecular drug	311046	.	.	.	.	374.4	C21H26O6	89.9	740	3.6	27	1	6	5	"InChI=1S/C21H26O6/c1-5-12(2)10-18(22)26-16-9-13(3)7-6-8-15(20(23)24)11-17-19(16)14(4)21(25)27-17/h7,10-11,16-17,19H,4-6,8-9H2,1-3H3,(H,23,24)/b12-10+,13-7+,15-11-"	CC/C(=C/C(=O)OC1C/C(=C/CC/C(=C/C2C1C(=C)C(=O)O2)/C(=O)O)/C)/C	ILNNCSSDKBHGFO-SAQOPMLXSA-N
DG67384	methyl (Z)-3-[4-[(Z)-3-methoxy-3-oxoprop-1-enyl]sulfanyl-2-sulfanylidenepyrimidin-1-yl]prop-2-enoate	54602168	CHEMBL2004707; NSC678966; NSC-678966	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678966	.	.	.	.	312.4	C12H12N2O4S2	126	524	1	20	0	6	7	"InChI=1S/C12H12N2O4S2/c1-17-10(15)4-7-14-6-3-9(13-12(14)19)20-8-5-11(16)18-2/h3-8H,1-2H3/b7-4-,8-5-"	COC(=O)/C=C\\N1C=CC(=NC1=S)S/C=C\\C(=O)OC	SCJDQXFLCJMGRE-IUNAMMOKSA-N
DG67385	"Sodium;3-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl)propane-1-sulfonic acid"	54602175	NSC674994; NSC-674994	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674994	.	.	.	.	347.3	C6H12NaO9S3+	166	532	.	19	1	9	4	"InChI=1S/C6H12O9S3.Na/c7-16(8,9)5-1-2-6-17(10,11)14-3-4-15-18(6,12)13;/h6H,1-5H2,(H,7,8,9);/q;+1"	C1COS(=O)(=O)C(S(=O)(=O)O1)CCCS(=O)(=O)O.[Na+]	IIJGHRQKMQEGTR-UHFFFAOYSA-N
DG67386	"3-N,3-N,6-N,6-N,2,7-hexamethylacridine-3,6-diamine;hydrochloride"	54602200	"6275-50-9; DTXSID50713294; NSC33458; NSC-33458; N~3~,N~3~,N~6~,N~6~,2,7-Hexamethylacridine-3,6-diamine--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33458	.	.	.	.	329.9	C19H24ClN3	19.4	347	.	23	1	3	2	"InChI=1S/C19H23N3.ClH/c1-12-7-14-9-15-8-13(2)19(22(5)6)11-17(15)20-16(14)10-18(12)21(3)4;/h7-11H,1-6H3;1H"	CC1=CC2=CC3=C(C=C(C(=C3)C)N(C)C)N=C2C=C1N(C)C.Cl	FONHVKSFVXLRFA-UHFFFAOYSA-N
DG67387	Podophyllotoxin isothiuronium bromide	54602203	"51887-97-9; DTXSID10713295; NSC35479; Podophyllotoxin isothiuronium bromide; NSC-35479; (5R,5aR,8aR,9R)-8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl carbamimidothioate--hydrogen bromide (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35479	.	.	.	.	553.4	C23H25BrN2O7S	148	742	.	34	3	9	6	"InChI=1S/C23H24N2O7S.BrH/c1-27-16-4-10(5-17(28-2)20(16)29-3)18-11-6-14-15(32-9-31-14)7-12(11)21(33-23(24)25)13-8-30-22(26)19(13)18;/h4-7,13,18-19,21H,8-9H2,1-3H3,(H3,24,25);1H/t13-,18+,19-,21-;/m0./s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)SC(=N)N.Br	XMOVEDYTRVNUIA-REMOXFKFSA-N
DG67388	"(3E,5E)-1-methyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-4-one;hydrochloride"	54602249	CHEMBL1985410; NSC621887; NSC-621887	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621887	.	.	.	.	418	C22H24ClNOS2	70.9	494	.	27	1	4	4	"InChI=1S/C22H23NOS2.ClH/c1-23-14-18(12-16-4-8-20(25-2)9-5-16)22(24)19(15-23)13-17-6-10-21(26-3)11-7-17;/h4-13H,14-15H2,1-3H3;1H/b18-12+,19-13+;"	CN1C/C(=C\\C2=CC=C(C=C2)SC)/C(=O)/C(=C/C3=CC=C(C=C3)SC)/C1.Cl	JQSQUUHICWNTBI-VIWUVAGBSA-N
DG67389	4-[(Z)-2-(2-methoxyphenyl)ethenyl]cinnoline	54602268	CHEMBL1985857; NSC231986; NSC-231986	.	.	Investigative Drug(s)	Investigative	Small molecular drug	231986	.	.	.	.	262.3	C17H14N2O	35	331	3.4	20	0	3	3	"InChI=1S/C17H14N2O/c1-20-17-9-5-2-6-13(17)10-11-14-12-18-19-16-8-4-3-7-15(14)16/h2-12H,1H3/b11-10-"	COC1=CC=CC=C1/C=C\\C2=CN=NC3=CC=CC=C32	PIAAEUOHAZPIHU-KHPPLWFESA-N
DG67390	"N-(4-ethoxyphenyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride;hydrochloride"	54602338	NSC31782; NSC-31782; 6320-32-7	.	.	Investigative Drug(s)	Investigative	Small molecular drug	31782	.	.	.	.	483.5	C28H32Cl2N2O	15.5	650	.	33	1	3	6	"InChI=1S/C28H31N2O.2ClH/c1-6-31-24-18-16-23(17-19-24)29(4)22-14-11-21(12-15-22)13-20-27-28(2,3)25-9-7-8-10-26(25)30(27)5;;/h7-20H,6H2,1-5H3;2*1H/q+1;;/p-1"	CCOC1=CC=C(C=C1)N(C)C2=CC=C(C=C2)/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)C.Cl.[Cl-]	ISXULQMIXWTWJH-UHFFFAOYSA-M
DG67391	1-[(Z)-benzylideneamino]-2-[(E)-benzylideneamino]guanidine	54602470	3560-86-9; NSC68154; NSC-68154	.	.	Investigative Drug(s)	Investigative	Small molecular drug	68154	.	.	.	.	265.31	C15H15N5	75.1	349	2.5	20	2	3	5	"InChI=1S/C15H15N5/c16-15(19-17-11-13-7-3-1-4-8-13)20-18-12-14-9-5-2-6-10-14/h1-12H,(H3,16,19,20)/b17-11-,18-12+"	C1=CC=C(C=C1)/C=N\\N/C(=N\\N=C\\C2=CC=CC=C2)/N	ZWLXITGRGUNARS-MJZABRMRSA-N
DG67392	"(1Z,4E)-1,5-bis(5-bromo-2-hydroxyphenyl)penta-1,4-dien-3-one"	54603154	NSC4582; NSC-4582; ZINC16892189	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4582	.	.	.	.	424.1	C17H12Br2O3	57.5	398	4.8	22	2	3	4	"InChI=1S/C17H12Br2O3/c18-13-3-7-16(21)11(9-13)1-5-15(20)6-2-12-10-14(19)4-8-17(12)22/h1-10,21-22H/b5-1-,6-2+"	C1=CC(=C(C=C1Br)/C=C/C(=O)/C=C\\C2=C(C=CC(=C2)Br)O)O	GHQJYKKGXCSWOF-SOSXVSKCSA-N
DG67393	10-[(Z)-C-aminocarbonohydrazonoyl]sulfanyldecyl N'-aminocarbamimidothioate;hydroiodide	54603357	NSC33418; NSC-33418	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33418	.	.	.	.	448.4	C12H29IN6S2	179	255	.	21	5	6	13	"InChI=1S/C12H28N6S2.HI/c13-11(17-15)19-9-7-5-3-1-2-4-6-8-10-20-12(14)18-16;/h1-10,15-16H2,(H2,13,17)(H2,14,18);1H"	C(CCCCCS/C(=N\\N)/N)CCCCS/C(=N/N)/N.I	AMTOBOKOOSDOMN-UHFFFAOYSA-N
DG67394	"4-Amino-N-hydroxy-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide--hydrogen chloride (1/1)"	54603433	"21090-42-6; DTXSID80713641; NSC116282; NSC-116282; 4-Amino-N-hydroxy-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116282	.	.	.	.	361.74	C12H16ClN5O6	176	456	.	24	7	9	3	"InChI=1S/C12H15N5O6.ClH/c13-9-6-4(11(21)16-22)1-17(10(6)15-3-14-9)12-8(20)7(19)5(2-18)23-12;/h1,3,5,7-8,12,18-20,22H,2H2,(H,16,21)(H2,13,14,15);1H"	C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C(=O)NO.Cl	YZCAFRFEHKZTQT-UHFFFAOYSA-N
DG67395	Superstolide B	54603534	"Superstolide B; NSC680075; NSC-680075; Acetamide,10,14a,16a,17,18,19,20,20a,20b-decahydro- 19-methoxy-3,10,13,20b-tetramethyl-7-oxo-7H- naphth[2,1-h]oxacyclohexadecin-9-yl]-1-methyl- 2-butenyl]-, [9R-[1E,3Z,5E,9R*(1R*,2E),10R*,11E,13E,14aR*,16aR*,17S*,19S*,20aS,20bR*)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680075	.	.	.	.	606.8	C36H50N2O6	117	1290	6.1	44	2	6	6	"InChI=1S/C36H50N2O6/c1-22-10-9-11-33(40)44-34(25(4)19-26(5)38-27(6)39)24(3)13-12-23(2)18-28-14-15-30-31(36(28,7)17-16-22)20-29(42-8)21-32(30)43-35(37)41/h9-19,24,26,28-32,34H,20-21H2,1-8H3,(H2,37,41)(H,38,39)/b11-9+,13-12+,17-16+,22-10-,23-18 ,25-19+/t24-,26-,28-,29+,30-,31-,32+,34-,36+/m1/s1"	C[C@@H]1/C=C/C(=C[C@H]2C=C[C@@H]3[C@H]([C@]2(/C=C/C(=C\\C=C\\C(=O)O[C@H]1/C(=C/[C@@H](C)NC(=O)C)/C)/C)C)C[C@@H](C[C@@H]3OC(=O)N)OC)C	MLNSAHTXSCMXCL-LBDGXWEBSA-N
DG67396	3-(Benzylamino)-1-(naphthalen-2-yl)propan-1-ol--hydrogen chloride (1/1)	54603596	5455-69-6; CHEMBL1996164; DTXSID70713695; NSC23418; NSC-23418; 3-(Benzylamino)-1-(naphthalen-2-yl)propan-1-ol--hydrogen chloride (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23418	.	.	.	.	327.8	C20H22ClNO	32.299	313	.	23	3	2	6	"InChI=1S/C20H21NO.ClH/c22-20(12-13-21-15-16-6-2-1-3-7-16)19-11-10-17-8-4-5-9-18(17)14-19;/h1-11,14,20-22H,12-13,15H2;1H"	C1=CC=C(C=C1)CNCCC(C2=CC3=CC=CC=C3C=C2)O.Cl	VKJMZICSFFKRGW-UHFFFAOYSA-N
DG67397	N''-[(Z)-(4-Methylphenyl)(phenyl)methylidene]carbonohydrazonic diamide--hydrogen chloride (1/1)	54603621	21083-90-9; DTXSID40713703; NSC67478; NSC-67478; N''-[(Z)-(4-Methylphenyl)(phenyl)methylidene]carbonohydrazonic diamide--hydrogen chloride (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67478	.	.	.	.	288.77	C15H17ClN4	76.8	330	.	20	3	2	3	"InChI=1S/C15H16N4.ClH/c1-11-7-9-13(10-8-11)14(18-19-15(16)17)12-5-3-2-4-6-12;/h2-10H,1H3,(H4,16,17,19);1H/b18-14-;"	CC1=CC=C(C=C1)/C(=N\\N=C(N)N)/C2=CC=CC=C2.Cl	YTWGXMAKSLJSRZ-NYAKATHWSA-N
DG67398	"N-butyl-N'-(6-methoxyquinolin-8-yl)pentane-1,5-diamine;hydrobromide"	54603801	NSC56646; NSC-56646; 6633-16-5	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56646	.	.	.	.	396.4	C19H30BrN3O	46.2	300	.	24	3	4	11	"InChI=1S/C19H29N3O.BrH/c1-3-4-10-20-11-6-5-7-12-21-18-15-17(23-2)14-16-9-8-13-22-19(16)18;/h8-9,13-15,20-21H,3-7,10-12H2,1-2H3;1H"	CCCCNCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2.Br	YFOMUPCJZWGLCA-UHFFFAOYSA-N
DG67399	4-Chlorobenzene-1-sulfonic acid--cadmium (1/1)	54603804	5424-97-5; SCHEMBL6915860; DTXSID70713736; NSC13162; NSC-13162; 4-Chlorobenzene-1-sulfonic acid--cadmium (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13162	.	.	.	.	305.03	C6H5CdClO3S	62.8	211	.	12	1	3	1	"InChI=1S/C6H5ClO3S.Cd/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,(H,8,9,10);"	C1=CC(=CC=C1S(=O)(=O)O)Cl.[Cd]	AARFAEZMSJDYEF-UHFFFAOYSA-N
DG67400	Phosphoric acid--7-chloro-N-{2-[2-(diethylamino)ethanesulfonyl]ethyl}quinolin-4-amine (1/1)	54603830	5433-26-1; DTXSID60713745; NSC13598; NSC-13598; Phosphoric acid--7-chloro-N-{2-[2-(diethylamino)ethanesulfonyl]ethyl}quinolin-4-amine (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13598	.	.	.	.	467.9	C17H27ClN3O6PS	148	515	.	29	4	9	9	"InChI=1S/C17H24ClN3O2S.H3O4P/c1-3-21(4-2)10-12-24(22,23)11-9-20-16-7-8-19-17-13-14(18)5-6-15(16)17;1-5(2,3)4/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,20);(H3,1,2,3,4)"	CCN(CC)CCS(=O)(=O)CCNC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O	OQZITYULJYTUDF-UHFFFAOYSA-N
DG67401	"(3Z)-3-benzylidene-6-methylheptane-2,4-dione"	54603898	NSC46598; ZINC4705825; NSC-46598	.	.	Investigative Drug(s)	Investigative	Small molecular drug	46598	.	.	.	.	230.3	C15H18O2	34.1	307	2.9	17	0	2	5	"InChI=1S/C15H18O2/c1-11(2)9-15(17)14(12(3)16)10-13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3/b14-10-"	CC(C)CC(=O)/C(=C\\C1=CC=CC=C1)/C(=O)C	ATFMUXNHOMLTMA-UVTDQMKNSA-N
DG67402	"[(Z)-(2,6-dichloro-3-nitrophenyl)methylideneamino] N-(3,4-dichlorophenyl)carbamate"	54604080	92167-56-1; NSC107818; NSC-107818	.	.	Investigative Drug(s)	Investigative	Small molecular drug	107818	.	.	.	.	423	C14H7Cl4N3O4	96.5	519	5.5	25	1	5	4	"InChI=1S/C14H7Cl4N3O4/c15-9-3-4-12(21(23)24)13(18)8(9)6-19-25-14(22)20-7-1-2-10(16)11(17)5-7/h1-6H,(H,20,22)/b19-6-"	C1=CC(=C(C=C1NC(=O)O/N=C\\C2=C(C=CC(=C2Cl)[N+](=O)[O-])Cl)Cl)Cl	LBKDDFLZINZFIG-SWNXQHNESA-N
DG67403	Pubchem_54604163	54604163	980-18-7; DTXSID60713801; PUBCHEM_54604163; NSC81206; NSC-81206	.	.	Investigative Drug(s)	Investigative	Small molecular drug	81206	.	.	.	.	429.1	C9H13FLiN2O12P2+	212	724	.	27	6	13	6	"InChI=1S/C9H13FN2O12P2.Li/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(23-8)2-22-26(20,21)24-25(17,18)19;/h1,4-6,8,13-14H,2H2,(H,20,21)(H,11,15,16)(H2,17,18,19);/q;+1"	[Li+].C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O)F	ISDOCHGHOPLGIM-UHFFFAOYSA-N
DG67404	1-[2-(Diethylamino)ethyl-methylamino]-4-(hydroxymethyl)-10-oxothioxanthen-9-one;hydrochloride	54604257	CHEMBL2004613; NSC166382; NSC-166382	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166382	.	.	.	.	423	C21H27ClN2O3S	80.1	540	.	28	2	6	7	"InChI=1S/C21H26N2O3S.ClH/c1-4-23(5-2)13-12-22(3)17-11-10-15(14-24)21-19(17)20(25)16-8-6-7-9-18(16)27(21)26;/h6-11,24H,4-5,12-14H2,1-3H3;1H"	CCN(CC)CCN(C)C1=C2C(=C(C=C1)CO)S(=O)C3=CC=CC=C3C2=O.Cl	AFPTYEFJXGSOAD-UHFFFAOYSA-N
DG67405	NSC221266	54604497	"Benzoic acid,4-dichloro-, [1-[4-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]hydrazide, monohydrochloride, (2S-cis)-; MLS002702084; 66996-54-1; CHEMBL1978675; NSC221266; NSC-221266; Benzoic acid,4-dichloro-, [1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]hydrazide, monohydrochloride, (2S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	221266	.	.	.	.	751	C34H34Cl3N3O10	210	1310	.	50	7	12	6	"InChI=1S/C34H33Cl2N3O10.ClH/c1-13-28(40)20(37)10-23(48-13)49-22-12-34(46,14(2)38-39-33(45)15-7-8-18(35)19(36)9-15)11-17-25(22)32(44)27-26(30(17)42)29(41)16-5-4-6-21(47-3)24(16)31(27)43;/h4-9,13,20,22-23,28,40,42,44,46H,10-12,37H2,1-3H3,(H,39,45);1H/b38-14+;/t13 ,20 ,22-,23 ,28 ,34-;/m0./s1"	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/NC(=O)C6=CC(=C(C=C6)Cl)Cl)/C)O)N)O.Cl	OEXFGUZYSWDUME-IKIAVLLTSA-N
DG67406	Pubchem_54604547	54604547	"21680-89-7; DTXSID70713857; PUBCHEM_54604547; NSC339570; NSC-339570; 4H-1, 2,2'-methylenebis[4,4,6-triphenyl-, dibromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339570	.	.	.	.	750.6	C45H36BrO2P2+	26.3	866	.	50	0	3	8	"InChI=1S/C45H36O2P2.BrH/c1-7-19-36(20-8-1)44-34-48(40-23-11-3-12-24-40,41-25-13-4-14-26-41)32-38(46-44)31-39-33-49(42-27-15-5-16-28-42,43-29-17-6-18-30-43)35-45(47-39)37-21-9-2-10-22-37;/h1-30,32-35H,31H2;1H/q+2;/p-1"	C1=CC=C(C=C1)C2=C[P+](C=C(O2)CC3=C[P+](C=C(O3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8.[Br-]	JJSQJZWDWSRBEZ-UHFFFAOYSA-M
DG67407	"2-Propen-1-one,3,5-cycloheptriene-2-yl)-3-(4-nitrophenyl)-"	54604759	"CHEMBL1977387; NSC356778; NSC-356778; 2-Propen-1-one,3,5-cycloheptriene- 2-yl)-3-(4-nitrophenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	356778	.	.	.	.	297.26	C16H11NO5	100	599	3.3	22	1	5	3	"InChI=1S/C16H11NO5/c18-14(13-3-1-2-4-15(19)16(13)20)10-7-11-5-8-12(9-6-11)17(21)22/h1-10H,(H,19,20)/b10-7-"	C1=CC(=C(C(=O)C=C1)O)C(=O)/C=C\\C2=CC=C(C=C2)[N+](=O)[O-]	XOEHJLARIPTYHM-YFHOEESVSA-N
DG67408	NSC677586	54604782	"2-[[(1S,5S,8Z,12S,20S)-13-phenoxycarbonyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyn-5-yl]oxy]acetic acid; CHEMBL1992928; NSC677586; NSC-677586"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677586	.	.	.	.	467.5	C28H21NO6	88.6	1080	3.4	35	1	6	5	"InChI=1S/C28H21NO6/c30-24(31)19-33-26-16-9-2-1-6-15-23-27(18-10-17-26)28(26,35-27)21-13-7-8-14-22(21)29(23)25(32)34-20-11-4-3-5-12-20/h1-5,7-8,11-14,23H,10,17-19H2,(H,30,31)/b2-1-/t23-,26+,27-,28-/m0/s1"	C1C[C@@]2(C#C/C=C\\C#C[C@H]3[C@@]4(C1)[C@]2(O4)C5=CC=CC=C5N3C(=O)OC6=CC=CC=C6)OCC(=O)O	WSZVTRXCFBRSSY-BKJHRCCMSA-N
DG67409	Boc-D-Val-DL-N(Me)Phe-N(Me)Val-N(Me)Val-Pro-OBn	54604791	NSC653626; NSC-653626	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653626	.	.	.	.	792	C44H65N5O8	146	1370	7.1	57	1	8	19	"InChI=1S/C44H65N5O8/c1-28(2)35(45-43(55)57-44(7,8)9)39(51)46(10)34(26-31-20-15-13-16-21-31)38(50)47(11)36(29(3)4)40(52)48(12)37(30(5)6)41(53)49-25-19-24-33(49)42(54)56-27-32-22-17-14-18-23-32/h13-18,20-23,28-30,33-37H,19,24-27H2,1-12H3,(H,45,55)/t33-,34 ,35+,36-,37-/m0/s1"	CC(C)[C@H](C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C	YPGFSHLFWFQPBF-JPIUROGKSA-N
DG67410	Pharmakon1600-01300040	54604810	NSC-657802; Pharmakon1600-01300040; NSC657802; NSC759600; NSC-759600; SR-01000002996; SR-01000002996-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657802	.	.	.	.	187.19	C10H12NaO2+	37.3	137	.	13	1	2	4	"InChI=1S/C10H12O2.Na/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H,11,12);/q;+1"	C1=CC=C(C=C1)CCCC(=O)O.[Na+]	VPZRWNZGLKXFOE-UHFFFAOYSA-N
DG67411	NSC714408	54604865	"methyl 2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(1H-indol-3-yl)propanoate;hydrochloride; CHEMBL2006330; NSC714408; NSC-714408"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714408	.	.	.	.	716.1	C34H40BrClN4O6	127	1210	.	46	5	8	8	"InChI=1S/C34H39BrN4O6.ClH/c1-5-32-11-8-13-39-14-12-33(28(32)39)21-16-22(35)26(44-3)17-25(21)38(2)29(33)34(43,30(32)41)31(42)37-24(27(40)45-4)15-19-18-36-23-10-7-6-9-20(19)23;/h6-11,16-18,24,28-30,36,41,43H,5,12-15H2,1-4H3,(H,37,42);1H/t24 ,28-,29+,30+,32+,33+,34-;/m0./s1"	CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2O)(C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)OC)O)N(C7=CC(=C(C=C47)Br)OC)C.Cl	BAQXZYAEBUGIPV-SOIJWDTQSA-N
DG67412	[(Z)-[2-[[6-[[2-[(Z)-(carbamoylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]urea	54604867	CHEMBL1981489; NSC714407; NSC-714407	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714407	.	.	.	.	461.5	C23H23N7O4	166	649	1.2	34	4	7	10	"InChI=1S/C23H23N7O4/c24-22(31)29-26-12-16-6-1-3-10-20(16)33-14-18-8-5-9-19(28-18)15-34-21-11-4-2-7-17(21)13-27-30-23(25)32/h1-13H,14-15H2,(H3,24,29,31)(H3,25,30,32)/b26-12-,27-13-"	C1=CC=C(C(=C1)/C=N\\NC(=O)N)OCC2=NC(=CC=C2)COC3=CC=CC=C3/C=N\\NC(=O)N	CSQCCUMKTOFGQT-KTDSDSLMSA-N
DG67413	(2E)-2-[2-[4-(2-methylpropyl)phenyl]propylidene]-5-(piperidin-1-ylmethyl)cyclopentan-1-one;hydrochloride	54605003	MLS002701519; CHEMBL1974612; NSC639978; NSC-639978	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639978	.	.	.	.	390	C24H36ClNO	20.3	480	.	27	1	2	6	"InChI=1S/C24H35NO.ClH/c1-18(2)15-20-7-9-21(10-8-20)19(3)16-22-11-12-23(24(22)26)17-25-13-5-4-6-14-25;/h7-10,16,18-19,23H,4-6,11-15,17H2,1-3H3;1H/b22-16+;"	CC(C)CC1=CC=C(C=C1)C(C)/C=C/2\\CCC(C2=O)CN3CCCCC3.Cl	PEIRJBIQKBCOGG-YHLMHSEJSA-N
DG67414	"4-[(Z)-2-(4,6-dimethylquinolin-2-yl)ethenyl]-N,N-diethylaniline"	54605076	NSC13625; ZINC8581118; NSC-13625; 5431-69-6	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13625	.	.	.	.	330.5	C23H26N2	16.1	420	6.1	25	0	2	5	"InChI=1S/C23H26N2/c1-5-25(6-2)21-12-9-19(10-13-21)8-11-20-16-18(4)22-15-17(3)7-14-23(22)24-20/h7-16H,5-6H2,1-4H3/b11-8-"	CCN(CC)C1=CC=C(C=C1)/C=C\\C2=NC3=C(C=C(C=C3)C)C(=C2)C	GLWRYJUYFWCCNB-FLIBITNWSA-N
DG67415	"4-[[4-(dimethylamino)-m-tolyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl]-N,N,N-trimethylanilinium dichloride"	54605107	"33231-00-4; 4-[[4-(dimethylamino)-m-tolyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl]-N,N,N-trimethylanilinium dichloride; Heptamethyl-p-rosaniline chloride; NSC8673; NSC-8673"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8673	.	.	.	.	437	C27H35ClN3+	6.2	725	.	31	0	2	4	"InChI=1S/C27H35N3.ClH/c1-20-19-23(13-18-26(20)29(4)5)27(21-9-14-24(15-10-21)28(2)3)22-11-16-25(17-12-22)30(6,7)8;/h9-19H,1-8H3;1H/q+2;/p-1"	CC1=C/C(=C(\\C2=CC=C(C=C2)N(C)C)/C3=CC=C(C=C3)[N+](C)(C)C)/C=CC1=[N+](C)C.[Cl-]	OATKMJAXHOEMDD-UHFFFAOYSA-M
DG67416	8-[5-(Propan-2-ylamino)pentylamino]quinolin-6-ol;hydrochloride	54605112	NSC14741; NSC-14741	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14741	.	.	.	.	323.9	C17H26ClN3O	57.2	285	.	22	4	4	8	"InChI=1S/C17H25N3O.ClH/c1-13(2)18-8-4-3-5-9-19-16-12-15(21)11-14-7-6-10-20-17(14)16;/h6-7,10-13,18-19,21H,3-5,8-9H2,1-2H3;1H"	CC(C)NCCCCCNC1=C2C(=CC(=C1)O)C=CC=N2.Cl	QUYHGXMMIPYJLN-UHFFFAOYSA-N
DG67417	Pubchem_54605179	54605179	6314-61-0; DTXSID90713970; PUBCHEM_54605179; NSC39789; NSC-39789	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39789	.	.	.	.	333.16	C15H11BrNO3-	62.9	353	.	20	0	4	3	InChI=1S/C15H11NO3.BrH/c17-15(13-6-2-1-3-7-13)10-9-12-5-4-8-14(11-12)16(18)19;/h1-11H;1H/p-1/b10-9-;	C1=CC=C(C=C1)C(=O)/C=C\\C2=CC(=CC=C2)[N+](=O)[O-].[Br-]	QOVJTXXXOIQJDP-KVVVOXFISA-M
DG67418	1-[N'-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride	54605283	NSC54849; NSC-54849	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54849	.	.	.	.	422	C20H32ClN7O	123	509	.	29	5	5	11	"InChI=1S/C20H31N7O.ClH/c1-14(2)26-20(22)27-19(21)25-10-6-4-5-9-23-17-13-16(28-3)12-15-8-7-11-24-18(15)17;/h7-8,11-14,23H,4-6,9-10H2,1-3H3,(H5,21,22,25,26,27);1H"	CC(C)N=C(N)NC(=NCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2)N.Cl	JQJHLCZCRMGVQY-UHFFFAOYSA-N
DG67419	"Quinolinium,5-dimethyl-1-pentylpyrrol-3-yl)-vinyl]1,6-dimethyl-, chloride"	54605545	"NSC31709; NSC-31709; Quinolinium,5-dimethyl-1-pentylpyrrol-3-yl)-vinyl]1,6-dimethyl-, chloride; Quinolinium,5-dimethyl-1-pentylpyrrol-3-yl)vinyl]-1,6-dimethyl-, chloride; Quinolinium,5-dimethyl-1-pentyl-1H-pyrrol-3-yl)ethenyl]-1,6-dimethyl-, chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	31709	.	.	.	.	383	C24H31ClN2	8.8	459	.	27	0	1	6	"InChI=1S/C24H31N2.ClH/c1-6-7-8-15-26-19(3)17-21(20(26)4)10-12-23-13-11-22-16-18(2)9-14-24(22)25(23)5;/h9-14,16-17H,6-8,15H2,1-5H3;1H/q+1;/p-1"	CCCCCN1C(=CC(=C1C)/C=C\\C2=[N+](C3=C(C=C2)C=C(C=C3)C)C)C.[Cl-]	ZKNVFCBYZIYGDP-UHFFFAOYSA-M
DG67420	"Benzene,2-dichloro-4-(2-nitroethenyl)-"	54605559	"NSC38663; ZINC4783513; NSC-38663; Benzene,2-dichloro-4-(2-nitroethenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38663	.	.	.	.	218.03	C8H5Cl2NO2	45.8	215	3.4	13	0	2	1	InChI=1S/C8H5Cl2NO2/c9-7-2-1-6(5-8(7)10)3-4-11(12)13/h1-5H/b4-3-	C1=CC(=C(C=C1/C=C\\[N+](=O)[O-])Cl)Cl	XHGCFWXSHIHYFH-ARJAWSKDSA-N
DG67421	1-(9-Bromophenanthren-3-yl)-3-(dihexylamino)propan-1-one;hydrochloride	54605561	CHEMBL1978452; NSC44489; NSC-44489	.	.	Investigative Drug(s)	Investigative	Small molecular drug	44489	.	.	.	.	533	C29H39BrClNO	20.3	525	.	33	1	2	14	"InChI=1S/C29H38BrNO.ClH/c1-3-5-7-11-18-31(19-12-8-6-4-2)20-17-29(32)24-16-15-23-22-28(30)26-14-10-9-13-25(26)27(23)21-24;/h9-10,13-16,21-22H,3-8,11-12,17-20H2,1-2H3;1H"	CCCCCCN(CCCCCC)CCC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br.Cl	JEXHYFIUWOOPLM-UHFFFAOYSA-N
DG67422	"N,N-diethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride;hydrochloride"	54605565	6333-95-5; NSC31777; NSC-31777	.	.	Investigative Drug(s)	Investigative	Small molecular drug	31777	.	.	.	.	405.4	C23H30Cl2N2	6.2	504	.	27	1	2	5	"InChI=1S/C23H29N2.2ClH/c1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5;;/h8-17H,6-7H2,1-5H3;2*1H/q+1;;/p-1"	CCN(CC)C1=CC=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C.Cl.[Cl-]	DGHYHRURJCIKPS-UHFFFAOYSA-M
DG67423	Antineoplastic-33423	54605651	ANTINEOPLASTIC-33423; NSC33423; NSC-33423	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33423	.	.	.	.	605.3	C16H20As2N2NaO8S2+	168	705	.	31	4	10	10	"InChI=1S/C16H20As2N2O8S2.Na/c1-27-15-5-3-11(7-13(15)19-9-29(21,22)23)17-18-12-4-6-16(28-2)14(8-12)20-10-30(24,25)26;/h3-8,19-20H,9-10H2,1-2H3,(H,21,22,23)(H,24,25,26);/q;+1"	COC1=C(C=C(C=C1)[As]=[As]C2=CC(=C(C=C2)OC)NCS(=O)(=O)O)NCS(=O)(=O)O.[Na+]	CHFWROWEVHXBCA-UHFFFAOYSA-N
DG67424	"1H-Naphth[2, 4,9-dihydro-1-isopropyl-3-methyl-4,9-dioxo-2-styryl-iodide"	54605678	"CHEMBL1982872; NSC80469; NSC-80469; 1H-Naphth[2, 4,9-dihydro-1-isopropyl-3-methyl-4,9-dioxo-2-styryl- iodide; 1H-Naphth[2, 4,9-dihydro-1-methyl-3-(1-methylethyl)-4,9-dioxo-2-(2-phenylethenyl)-, iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80469	.	.	.	.	484.3	C23H21IN2O2	43	608	.	28	0	3	3	"InChI=1S/C23H21N2O2.HI/c1-15(2)25-19(14-13-16-9-5-4-6-10-16)24(3)20-21(25)23(27)18-12-8-7-11-17(18)22(20)26;/h4-15H,1-3H3;1H/q+1;/p-1/b14-13+;"	CC(C)N1C(=[N+](C2=C1C(=O)C3=CC=CC=C3C2=O)C)/C=C/C4=CC=CC=C4.[I-]	KIZCBPDDWLVNPS-IERUDJENSA-M
DG67425	"2-[4-[(Z)-4-[4-[2-(diethylamino)ethoxy]phenyl]hex-3-en-3-yl]phenoxy]-N,N-diethylethanamine;hydrochloride"	54605975	NSC78325; NSC-78325	.	.	Investigative Drug(s)	Investigative	Small molecular drug	78325	.	.	.	.	503.2	C30H47ClN2O2	24.9	492	.	35	1	4	16	"InChI=1S/C30H46N2O2.ClH/c1-7-29(25-13-17-27(18-14-25)33-23-21-31(9-3)10-4)30(8-2)26-15-19-28(20-16-26)34-24-22-32(11-5)12-6;/h13-20H,7-12,21-24H2,1-6H3;1H/b30-29-;"	CC/C(=C(\\CC)/C1=CC=C(C=C1)OCCN(CC)CC)/C2=CC=C(C=C2)OCCN(CC)CC.Cl	YYWVFGRKVNPMIQ-DHKWPOFJSA-N
DG67426	1-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine	54606037	NSC68155; NSC-68155	.	.	Investigative Drug(s)	Investigative	Small molecular drug	68155	.	.	.	.	353.4	C19H23N5O2	93.6	481	3.2	26	2	5	9	"InChI=1S/C19H23N5O2/c1-3-25-17-11-7-5-9-15(17)13-21-23-19(20)24-22-14-16-10-6-8-12-18(16)26-4-2/h5-14H,3-4H2,1-2H3,(H3,20,23,24)/b21-13-,22-14+"	CCOC1=CC=CC=C1/C=N/N/C(=N\\N=C/C2=CC=CC=C2OCC)/N	DWYBOGPOZRQOEY-VOKWCDJLSA-N
DG67427	"9H-Purine, compd. with ethanol (4:1)"	54606076	"NSC91745; NSC-91745; 9H-Purine, compd. with ethanol (4:1); 9H-Purine, compd. with ethyl alcohol (4:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	91745	.	.	.	.	455.4	C16H21N7O7S	223	590	.	31	4	12	4	"InChI=1S/C14H15N7O6S.C2H6O/c1-19-4-18-11(21(25)26)14(19)28-12-7-10(15-3-16-12)20(5-17-7)13-9(24)8(23)6(2-22)27-13;1-2-3/h3-6,8-9,13,22-24H,2H2,1H3;3H,2H2,1H3"	CCO.CN1C=NC(=C1SC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)[N+](=O)[O-]	BKHJMHKYKWVYKX-UHFFFAOYSA-N
DG67428	"(8E)-8-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-6H-[1,3]dioxolo[4,5-e]indol-7-one"	54606088	MLS002703775; NSC103517; ZINC102900569; NSC-103517	.	.	Investigative Drug(s)	Investigative	Small molecular drug	103517	.	.	.	.	388.2	C17H10BrNO5	66	569	3.2	24	1	5	1	"InChI=1S/C17H10BrNO5/c18-10-5-14-13(22-6-23-14)4-8(10)3-9-15-11(19-17(9)20)1-2-12-16(15)24-7-21-12/h1-5H,6-7H2,(H,19,20)/b9-3+"	C1OC2=C(O1)C\\3=C(C=C2)NC(=O)/C3=C/C4=CC5=C(C=C4Br)OCO5	ZJFBACMWMSCCKF-YCRREMRBSA-N
DG67429	"8-Quinolinol, vanadium(V) complex"	54606261	"19631-94-8; 8-Quinolinol, vanadium(V) complex; NSC88941; NSC-88941; Vanadium, oxohydroxybis(8-quinolinolato)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88941	.	.	.	.	392.4	C18H33N2O4V-2	79.8	356	.	25	3	6	0	"InChI=1S/2C9H16NO.H2O.O.V/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h2*7-9,11H,1-6H2;1H2;;/q2*-1;;;+1/p-1"	C1CC2CCC[N-]C2C(C1)O.C1CC2CCC[N-]C2C(C1)O.O[V]=O	YJINWQPTXYGAHQ-UHFFFAOYSA-M
DG67430	"Ethanesulfonic acid,6-diamino-1,2-dihydro-2,2-dimethyl-1-[p-(4-phenylbutyl)phenyl]-s-triazine (1:1)"	54606350	"NSC-132277; Ethanesulfonic acid,6-diamino-1,2-dihydro-2,2-dimethyl-1-[p-(4-phenylbutyl)phenyl]-s-triazine (1:1); Ethanesulfonic acid,6-dihydro-6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-1,3,5-triazine-2,4-diamine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132277	.	.	.	.	459.6	C23H33N5O3S	143	624	.	32	3	4	7	"InChI=1S/C21H27N5.C2H6O3S/c1-21(2)25-19(22)24-20(23)26(21)18-14-8-13-17(15-18)12-7-6-11-16-9-4-3-5-10-16;1-2-6(3,4)5/h3-5,8-10,13-15H,6-7,11-12H2,1-2H3,(H4,22,23,24,25);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=CC=CC=C3)N)N)C	YNOYRPQXODTDCZ-UHFFFAOYSA-N
DG67431	"(Z)-3-(2-methoxyphenyl)-1-(1,3-oxazolidin-4-yl)prop-2-en-1-one"	54606380	CHEMBL1967976; NSC139727; NSC-139727	.	.	Investigative Drug(s)	Investigative	Small molecular drug	139727	.	.	.	.	233.26	C13H15NO3	47.6	290	1.4	17	1	4	4	"InChI=1S/C13H15NO3/c1-16-13-5-3-2-4-10(13)6-7-12(15)11-8-17-9-14-11/h2-7,11,14H,8-9H2,1H3/b7-6-"	COC1=CC=CC=C1/C=C\\C(=O)C2COCN2	BAVZROYHOCSCFZ-SREVYHEPSA-N
DG67432	Withacnistin	54606507	"WITHACNISTIN; 21902-99-8; DTXSID90714301; NSC135073; NSC-135073; (4beta,5beta,6beta,22R)-4-Hydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-18-yl acetate; 5.beta.-Ergosta-2, 5,6.beta.-epoxy-4.beta.,18,22-trihydroxy-1-oxo-, .delta.-lactone, 18-acetate, (20S,22R)-; Ergosta-2, 18-(acetyloxy)-5,6-epoxy-4,22-dihydroxy-1-oxo-, .delta.-lactone, (4.beta.,5.beta.,6.beta.22R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135073	.	.	.	.	512.6	C30H40O7	102	1110	3.7	37	1	7	5	"InChI=1S/C30H40O7/c1-15-12-23(36-27(34)16(15)2)17(3)20-6-7-22-19-13-26-30(37-26)25(33)9-8-24(32)28(30,5)21(19)10-11-29(20,22)14-35-18(4)31/h8-9,17,19-23,25-26,33H,6-7,10-14H2,1-5H3/t17-,19+,20+,21-,22-,23+,25-,26+,28-,29-,30+/m0/s1"	CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)COC(=O)C)C	ZQEYWCXMRUYTGT-ODBZFNPSSA-N
DG67433	4-[(E)-2-phenylethenyl]-1-(2-phenylethyl)pyridin-1-ium;bromide	54606622	CHEMBL2004551; NSC167483; NSC-167483	.	.	Investigative Drug(s)	Investigative	Small molecular drug	167483	.	.	.	.	366.3	C21H20BrN	3.9	315	.	23	0	1	5	"InChI=1S/C21H20N.BrH/c1-3-7-19(8-4-1)11-12-21-14-17-22(18-15-21)16-13-20-9-5-2-6-10-20;/h1-12,14-15,17-18H,13,16H2;1H/q+1;/p-1/b12-11+;"	C1=CC=C(C=C1)CC[N+]2=CC=C(C=C2)/C=C/C3=CC=CC=C3.[Br-]	MNPBNGTYRPOKRC-CALJPSDSSA-M
DG67434	"Rhodium(1+), chloride, pentahydrate, trans-"	54606736	"NSC156311; NSC300261; NSC-156311; NSC-300261; Rhodium(1+), chloride, pentahydrate, trans-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	156311	.	.	.	.	510.4	C20H40Cl2N4Rh-4	4	200	.	27	0	4	0	InChI=1S/4C5H10N.2ClH.Rh/c4*1-2-4-6-5-3-1;;;/h4*1-5H2;2*1H;/q4*-1;;;+2/p-2	C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.Cl[Rh]Cl	LAFTXWXRVVTBOQ-UHFFFAOYSA-L
DG67435	"Isoquinocycline A, Hydrochloride"	54606991	"CHEMBL1989987; Isoquinocycline A, Hydrochloride; NSC-194617"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	274539	.	.	.	.	653.1	C33H33ClN2O10	187	1400	.	46	7	11	3	"InChI=1S/C33H32N2O10.ClH/c1-13(36)33(42)14(2)43-22(10-21(33)38)44-29-18-9-17-25(26(39)16-5-4-6-20(37)24(16)27(17)40)28(41)23(18)19-12-31(29,3)45-32(19)11-15-7-8-34-30(15)35-32;/h4-9,11,13-14,19,21-22,29,36-38,41-42H,10,12H2,1-3H3,(H,34,35);1H/t13 ,14 ,19-,21 ,22 ,29 ,31+,32 ,33 ;/m0./s1"	CC1C(C(CC(O1)OC2C3=CC4=C(C(=C3[C@@H]5C[C@]2(OC56C=C7C=CNC7=N6)C)O)C(=O)C8=C(C4=O)C(=CC=C8)O)O)(C(C)O)O.Cl	PEWVERDOCCTUCM-MTWPOXTLSA-N
DG67436	5-Chloro-7-[(3-pyrrolidin-1-ylpropylamino)methyl]quinolin-8-ol;hydrochloride	54607044	CHEMBL2004623; NSC178123; NSC-178123	.	.	Investigative Drug(s)	Investigative	Small molecular drug	178123	.	.	.	.	356.3	C17H23Cl2N3O	48.4	338	.	23	3	4	6	"InChI=1S/C17H22ClN3O.ClH/c18-15-11-13(17(22)16-14(15)5-3-7-20-16)12-19-6-4-10-21-8-1-2-9-21;/h3,5,7,11,19,22H,1-2,4,6,8-10,12H2;1H"	C1CCN(C1)CCCNCC2=CC(=C3C=CC=NC3=C2O)Cl.Cl	GXMMLAHUEYYJBJ-UHFFFAOYSA-N
DG67437	NSC221265	54607142	"N-[(E)-1-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]-3-nitrobenzamide;hydrochloride; 66996-56-3; NSC221265; NSC-221265; Benzoic acid, [[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]hydrazide], monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	221265	.	.	.	.	727.1	C34H35ClN4O12	256	1360	.	51	7	14	6	"InChI=1S/C34H34N4O12.ClH/c1-14-28(39)20(35)11-23(49-14)50-22-13-34(45,15(2)36-37-33(44)16-6-4-7-17(10-16)38(46)47)12-19-25(22)32(43)27-26(30(19)41)29(40)18-8-5-9-21(48-3)24(18)31(27)42;/h4-10,14,20,22-23,28,39,41,43,45H,11-13,35H2,1-3H3,(H,37,44);1H/b36-15+;/t14 ,20 ,22-,23 ,28 ,34-;/m0./s1"	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/NC(=O)C6=CC(=CC=C6)[N+](=O)[O-])/C)O)N)O.Cl	QEORIOWOGNHTED-YMYQXXOFSA-N
DG67438	NSC263663	54607338	"Pyridinium,3'-(bicyclo[2.2.2]octane-1,4-diylbis(carbonylimino-4,1-phenylenecarbonylimino))bis(1-methyl-, salt with 4-methyl-benzenesulfonic acid (1:2); NSC263663; NSC-263663; Pyridinium,3'-(bicyclo[2.2.2]octane-1,4-diylbis(carbonylimino-4,1-phenylenecarbonylimino))bis(1-methyl-, salt with 4-methyl-benzenesulfonic acid (1:2); Pyridinium,3'-[bicyclo[2.2.2]octane-1,4-diylbis(carbonylimino-4,1-phenylenecarbonylimino)]bis(1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	263663	.	.	.	.	789.9	C43H45N6O7S+	190	1200	.	57	4	7	8	"InChI=1S/C36H36N6O4.C7H8O3S/c1-41-21-3-5-29(23-41)37-31(43)25-7-11-27(12-8-25)39-33(45)35-15-18-36(19-16-35,20-17-35)34(46)40-28-13-9-26(10-14-28)32(44)38-30-6-4-22-42(2)24-30;1-6-2-4-7(5-3-6)11(8,9)10/h3-14,21-24H,15-20H2,1-2H3,(H2-2,37,38,39,40,43,44,45,46);2-5H,1H3,(H,8,9,10)/p+1"	CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C34CCC(CC3)(CC4)C(=O)NC5=CC=C(C=C5)C(=O)NC6=C[N+](=CC=C6)C	ZYVMSEBOQYNDFF-UHFFFAOYSA-O
DG67439	NSC277181	54607375	"Sulfuric acid--(2Z)-5-[2-(dimethylamino)ethoxy]-2-[(1-methyl-5-nitro-1H-imidazol-2-yl)methylidene]-2,3-dihydro-1H-inden-1-one (1/1); 55079-56-6; CHEMBL1979409; DTXSID60714479; NSC277181; NSC-277181; Sulfuric acid--(2Z)-5-[2-(dimethylamino)ethoxy]-2-[(1-methyl-5-nitro-1H-imidazol-2-yl)methylidene]-2,3-dihydro-1H-inden-1-one (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	277181	.	.	.	.	454.5	C18H22N4O8S	176	655	.	31	2	10	5	"InChI=1S/C18H20N4O4.H2O4S/c1-20(2)6-7-26-14-4-5-15-12(9-14)8-13(18(15)23)10-16-19-11-17(21(16)3)22(24)25;1-5(2,3)4/h4-5,9-11H,6-8H2,1-3H3;(H2,1,2,3,4)/b13-10-;"	CN1C(=CN=C1/C=C\\2/CC3=C(C2=O)C=CC(=C3)OCCN(C)C)[N+](=O)[O-].OS(=O)(=O)O	PCRONZAAPGAOHT-ALUHPYBCSA-N
DG67440	"Platinum,2-cyclohexanediamine-N,N')(propanedioato(2-)-O,O')-, (SP-4-2-(1R-trans))-"	54607378	"Platinum,2-cyclohexanediamine-N,N')(propanedioato(2-)-O,O')-, (SP-4-2-(1R-trans))-; Platinum,2-cyclohexanediamine-N,N')[propanedioato(2-)-O,O']-, [SP-4-2-(1R-trans)]-; NSC-266047"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	266047	.	.	.	.	409.3	C9H14N2O4Pt	82.3	204	.	16	2	6	0	"InChI=1S/C6H12N2.C3H4O4.Pt/c7-5-3-1-2-4-6(5)8;4-2(5)1-3(6)7;/h5-8H,1-4H2;1H2,(H,4,5)(H,6,7);/q-2;;+4/p-2/t5-,6-;;/m1../s1"	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(C(=O)[O-])C(=O)[O-].[Pt+4]	VRJXRHFBWYDIOS-BNTLRKBRSA-L
DG67441	"2-Butenoic acid,3-dibromo-4-[[(4-methylphenyl)sulfonyl]hydrazono]-, (Z)-"	54607416	"CHEMBL1989790; ZINC5493426; NSC295563; NSC-295563; 2-Butenoic acid,3-dibromo-4-[[(4-methylphenyl)sulfonyl]hydrazono]-, (Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295563	.	.	.	.	426.08	C11H10Br2N2O4S	104	517	2.8	20	2	6	5	"InChI=1S/C11H10Br2N2O4S/c1-7-2-4-8(5-3-7)20(18,19)15-14-6-9(12)10(13)11(16)17/h2-6,15H,1H3,(H,16,17)/b10-9-,14-6+"	CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C(=C(\\C(=O)O)/Br)/Br	MWDQHNYDQHYRKE-CHPBBVCSSA-N
DG67442	2-[2-(Aziridin-1-yl)ethyliminomethyl]phenolate;manganese(3+);perchloric acid	54607439	NSC290069; NSC-290069	.	.	Investigative Drug(s)	Investigative	Small molecular drug	290069	.	.	.	.	533.9	C22H27ClMnN4O6+	148	567	.	34	1	10	0	"InChI=1S/2C11H14N2O.ClHO4.Mn/c2*14-11-4-2-1-3-10(11)9-12-5-6-13-7-8-13;2-1(3,4)5;/h2*1-4,9,14H,5-8H2;(H,2,3,4,5);/q;;;+3/p-2"	C1CN1CCN=CC2=CC=CC=C2[O-].C1CN1CCN=CC2=CC=CC=C2[O-].OCl(=O)(=O)=O.[Mn+3]	WAVQZOJSDCUNDS-UHFFFAOYSA-L
DG67443	(2E)-2-[1-(9H-Fluoren-2-yl)ethylidene]-N'-methylhydrazine-1-carboximidamide--hydrogen chloride (1/1)	54607521	77476-06-3; DTXSID90714528; NSC298823; NSC-298823; (2E)-2-[1-(9H-Fluoren-2-yl)ethylidene]-N'-methylhydrazine-1-carboximidamide--hydrogen chloride (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	298823	.	.	.	.	314.8	C17H19ClN4	62.8	429	.	22	3	2	3	"InChI=1S/C17H18N4.ClH/c1-11(20-21-17(18)19-2)12-7-8-16-14(9-12)10-13-5-3-4-6-15(13)16;/h3-9H,10H2,1-2H3,(H3,18,19,21);1H/b20-11+;"	C/C(=N\\NC(=NC)N)/C1=CC2=C(C=C1)C3=CC=CC=C3C2.Cl	IERAWRYRAYYBLN-DOELHFPHSA-N
DG67444	"2,4'-(ethene-1,2-diyl)bis(3-sulfo-4,1-phenylene))bis(2H-naphtho[2,3-d][1,2,3]triazole-6-sulfonic acid), tetra sodium salt"	54607568	"NSC306455; NSC-306455; 2,4'-(ethene-1,2-diyl)bis(3-sulfo-4,1-phenylene))bis(2H-naphtho[2,3-d][1,2,3]triazole-6-sulfonic acid), tetra sodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	306455	.	.	.	.	857.8	C34H22N6NaO12S4+	312	1800	.	57	4	16	8	"InChI=1S/C34H22N6O12S4.Na/c41-53(42,43)27-9-5-21-13-29-31(15-23(21)11-27)37-39(35-29)25-7-3-19(33(17-25)55(47,48)49)1-2-20-4-8-26(18-34(20)56(50,51)52)40-36-30-14-22-6-10-28(54(44,45)46)12-24(22)16-32(30)38-40;/h1-18H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);/q;+1/b2-1+;"	C1=CC(=CC2=CC3=NN(N=C3C=C21)C4=CC(=C(C=C4)/C=C/C5=C(C=C(C=C5)N6N=C7C=C8C=CC(=CC8=CC7=N6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]	VWFVUNFVNBXVLQ-TYYBGVCCSA-N
DG67445	3-(Dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride	54607588	90548-62-2; DTXSID60920331; NSC317917; NSC-317917; 3-(Dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one--hydrogen chloride (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	317917	.	.	.	.	300.82	C15H25ClN2O2	32.8	261	.	20	1	4	7	"InChI=1S/C15H24N2O2.ClH/c1-16(2)10-13(11-17(3)4)15(18)12-6-8-14(19-5)9-7-12;/h6-9,13H,10-11H2,1-5H3;1H"	CN(C)CC(CN(C)C)C(=O)C1=CC=C(C=C1)OC.Cl	VEZHWIXSWJIYKI-UHFFFAOYSA-N
DG67446	Antineoplastic-328785	54607693	"79514-49-1; ANTINEOPLASTIC-328785; DTXSID90714583; NSC328785; NSC-328785; Hydrazinecarboselenoamide,N-dimethyl- 2-[1-(2-pyridinyl)ethylidene]-; [(E)-(Dimethylamino){(2E)-[1-(pyridin-2-yl)ethylidene]hydrazinylidene}methyl]selanyl"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328785	.	.	.	.	268.21	C10H13N4Se	40.8	260	.	15	0	3	3	"InChI=1S/C10H13N4Se/c1-8(9-6-4-5-7-11-9)12-13-10(15)14(2)3/h4-7H,1-3H3/b12-8+,13-10+"	C/C(=N\\N=C(/N(C)C)\\[Se])/C1=CC=CC=N1	YVSNJTUEWUFWSS-SDCOAONHSA-N
DG67447	"2, 3-[(3,4-Dichlorophenyl)methylene]-6-(dimethylamino)-5-methyl-, hydrobromide"	54607735	"CHEMBL1983783; NSC360335; NSC-360335; 2, 3-[(3,4-dichlorophenyl)methylene]-6-(dimethylamino)-5-methyl-, hydrobromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	360335	.	.	.	.	409.1	C16H20BrCl2NO2	37.4	421	.	22	1	3	6	"InChI=1S/C16H19Cl2NO2.BrH/c1-10(9-19(3)4)16(21)13(11(2)20)7-12-5-6-14(17)15(18)8-12;/h5-8,10H,9H2,1-4H3;1H/b13-7+;"	CC(CN(C)C)C(=O)/C(=C/C1=CC(=C(C=C1)Cl)Cl)/C(=O)C.Br	FPJOPGWECSOMQU-FTPOTTDRSA-N
DG67448	Biantrazole	54607781	"Biantrazole; NSC-357885; CI-941; DUP 941; Anthra-941; SCHEMBL6685621; CHEMBL1996953; NSC357885; PD-113785; Anthra[1, 7-hydroxy-2-[2-[(2- hydroxyethyl)amino]ethyl]-5-[[2-[(2-hydroxyethyl)amino]ethyl]amino]-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357885	.	.	.	.	461.9	C22H28ClN5O4	132	596	.	32	7	8	11	"InChI=1S/C22H27N5O4.ClH/c28-12-9-23-6-7-25-15-4-5-16-20-19(15)22(31)18-14(2-1-3-17(18)30)21(20)26-27(16)11-8-24-10-13-29;/h1-5,23-25,28-30H,6-13H2;1H"	C1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC4=C3C2=NN4CCNCCO)NCCNCCO.Cl	GDNYMYIKZYXFET-UHFFFAOYSA-N
DG67449	"9,10-Dimethoxy-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride"	54607904	"55971-02-3; CHEMBL1998867; DTXSID10714621; NSC403831; NSC-403831; 9,10-Dimethoxy-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403831	.	.	.	.	369.8	C20H16ClNO4	41	488	.	26	0	5	2	"InChI=1S/C20H16NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-10H,11H2,1-2H3;1H/q+1;/p-1"	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4C=C3)OCO5)OC.[Cl-]	OIIGDQKYHCFYQM-UHFFFAOYSA-M
DG67450	NSC379687	54607962	"L-Proline,3,3a,3b,4,4a,5,7,7a,8,8a,8b-dodecahydro-1,3,5,7-tetraoxo-4,8-ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-2,6-diyl)bis(methylene) ester, dihydrochloride; CHEMBL1989367; NSC379687; NSC-379687; L-Proline,3,3a,3b,4,4a,5,7,7a,8,8a,8b-dodecahydro-1,3,5,7-tetraoxo-4,8-ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-2,6-diyl)bis(methylene) ester, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	379687	.	.	.	.	563	C26H31ClN4O8	151	1110	.	39	3	10	8	"InChI=1S/C26H30N4O8.ClH/c31-21-17-11-5-6-12(18(17)22(32)29(21)9-37-25(35)13-3-1-7-27-13)16-15(11)19-20(16)24(34)30(23(19)33)10-38-26(36)14-4-2-8-28-14;/h5-6,11-20,27-28H,1-4,7-10H2;1H"	C1CC(NC1)C(=O)OCN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)COC(=O)C7CCCN7.Cl	AOHGHVCAVNNRHY-UHFFFAOYSA-N
DG67451	"2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-chromen-4-one"	54607968	"7596-10-3; 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-chromen-4-one; CHEMBL1983952; DTXSID80714633; PUBCHEM_54607968; NSC408171; NSC-408171; DS-003310"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	408171	.	.	.	.	423.7	C19H18O7Zn+2	83.4	546	.	27	1	7	5	"InChI=1S/C19H18O7.Zn/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3;/h5-9,20H,1-4H3;/q;+2"	COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC.[Zn+2]	XMSZJBOKRNTHEC-UHFFFAOYSA-N
DG67452	NSC600221	54608019	"beta-Phenylalanine, 6,12b-diacetoxy-12-(benzoyloxy)-2a,3,3a,4,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, sodium salt; NSC600221; NSC-600221; .beta.-Phenylalanine, 6,12b-diacetoxy-12-(benzoyloxy)- 2a,3,3a,4,5,6,9,10,11,12,12a,12b-dodecahydro-4,11- dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano- 1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, sodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600221	.	.	.	.	977	C51H55NNaO17+	265	2050	.	70	4	17	19	"InChI=1S/C51H55NO17.Na/c1-27-33(66-47(62)41(67-37(58)23-22-36(56)57)39(30-16-10-7-11-17-30)52-45(60)31-18-12-8-13-19-31)25-51(63)44(68-46(61)32-20-14-9-15-21-32)42-49(6,34(55)24-35-50(42,26-64-35)69-29(3)54)43(59)40(65-28(2)53)38(27)48(51,4)5;/h7-21,33-35,39-42,44,55,63H,22-26H2,1-6H3,(H,52,60)(H,56,57);/q;+1/t33 ,34-,35 ,39 ,40+,41+,42 ,44 ,49+,50 ,51+;/m0./s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](CC4C(C3C([C@@](C2(C)C)(CC1OC(=O)[C@@H](C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C.[Na+]	LEGMHFWVKDZLGP-CDPHTNRPSA-N
DG67453	NSC600223	54608020	"Benzenepropanoic acid,4-dioxobutoxy)-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4-(4-hydroxy-1,4-dioxobutoxy)-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, disodium salt, stereoisomer; NSC600223; NSC-600223; Benzenepropanoic acid,4-dioxobutoxy)-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)- 2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro- 11-hydroxy-4-(4-hydroxy-1,4-dioxobutoxy)- 4a,8,13,13-tetramethyl-5-oxo-7,11-methano- 1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, disodium salt, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600223	.	.	.	.	1077	C55H59NNaO20+	308	2310	.	77	4	20	24	"InChI=1S/C55H59NO20.Na/c1-29-35(72-51(68)45(74-41(64)25-23-39(61)62)43(32-16-10-7-11-17-32)56-49(66)33-18-12-8-13-19-33)27-55(69)48(75-50(67)34-20-14-9-15-21-34)46-53(6,47(65)44(71-30(2)57)42(29)52(55,4)5)36(73-40(63)24-22-38(59)60)26-37-54(46,28-70-37)76-31(3)58;/h7-21,35-37,43-46,48,69H,22-28H2,1-6H3,(H,56,66)(H,59,60)(H,61,62);/q;+1/t35 ,36-,37 ,43 ,44+,45+,46 ,48 ,53+,54 ,55+;/m0./s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](CC4C(C3C([C@@](C2(C)C)(CC1OC(=O)[C@@H](C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)CCC(=O)O)C)OC(=O)C.[Na+]	UWKKVCPFVCFRML-OKXCIUBDSA-N
DG67454	p-Chloranilinum[bis(p-chloraniline)dioxalatoruthenate(III)]	54608061	NSC631477; NSC-631477; p-Chloranilinum[bis(p-chloraniline)dioxalatoruthenate(III)]	.	.	Investigative Drug(s)	Investigative	Small molecular drug	631477	.	.	.	.	660.8	C22H19Cl3N3O8Ru+2	239	496	.	37	4	11	0	"InChI=1S/3C6H6ClN.2C2H2O4.Ru/c3*7-5-1-3-6(8)4-2-5;2*3-1(4)2(5)6;/h3*1-4H,8H2;2*(H,3,4)(H,5,6);/q;;;;;+5/p-3"	[H+].C1=CC(=CC=C1N)Cl.C1=CC(=CC=C1N)Cl.C1=CC(=CC=C1N)Cl.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Ru+5]	NYCSEILNNDSNRR-UHFFFAOYSA-K
DG67455	15-Crown-5-vanadium(III)trichloride	54608066	NSC632599; 15-Crown-5-vanadium(III)trichloride; NSC-632599	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632599	.	.	.	.	311.7	C10H25ClO5V+4	5	91.5	.	17	5	1	0	InChI=1S/C10H20O5.ClH.V/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1;;/h1-10H2;1H;/p+4	C1C[OH+]CC[OH+]CC[OH+]CC[OH+]CC[OH+]1.[Cl-].[V]	TXLVFZZPCMTRBG-UHFFFAOYSA-R
DG67456	"Di(cis-diammine)bis(alpha,4'-stilben-dioldiphosphato)diplatinum(II)dihydrate"	54608093	"NSC634047; NSC-634047; Di(cis-diammine)bis(.alpha.,4'-stilben- dioldiphosphato)diplatinum(II)dihydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634047	.	.	.	.	882.6	C18H30N4O8P2Pt2+4	149	596	.	34	4	12	8	"InChI=1S/C18H22O8P2.4H3N.2Pt/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24;;;;;;/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24);4*1H3;;/q;;;;;2*+4/p-4/b18-17+;;;;;;"	CC/C(=C(/CC)\\C1=CC=C(C=C1)OP(=O)([O-])[O-])/C2=CC=C(C=C2)OP(=O)([O-])[O-].N.N.N.N.[Pt+4].[Pt+4]	PLEHQSADJZKQHM-DWWNVGOYSA-J
DG67457	(2E)-2-(2-methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride	54608095	CHEMBL1969765; NSC639499; NSC-639499	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639499	.	.	.	.	273.8	C14H24ClNO2	29.5	303	.	18	1	3	3	"InChI=1S/C14H23NO2.ClH/c1-11(2)9-12-3-4-13(14(12)16)10-15-5-7-17-8-6-15;/h9,11,13H,3-8,10H2,1-2H3;1H/b12-9+;"	CC(C)/C=C/1\\CCC(C1=O)CN2CCOCC2.Cl	HIRVYTJGLRCRJK-NBYYMMLRSA-N
DG67458	"Cyclopentanone, 2-pentylidene-5-[(1-piperidinyl)methyl]-hydrochloride"	54608096	"CHEMBL1987515; NSC639501; NSC-639501; Cyclopentanone, 2-pentylidene-5-[(1-piperidinyl)methyl]- hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639501	.	.	.	.	285.9	C16H28ClNO	20.3	302	.	19	1	2	5	"InChI=1S/C16H27NO.ClH/c1-2-3-5-8-14-9-10-15(16(14)18)13-17-11-6-4-7-12-17;/h8,15H,2-7,9-13H2,1H3;1H/b14-8+;"	CCCC/C=C/1\\CCC(C1=O)CN2CCCCC2.Cl	ZGHVKKQXNMIIGL-XHIXCECLSA-N
DG67459	"Cyclopentanone, (E)-, hydrochloride"	54608101	"MLS003389211; CHEMBL1997259; Cyclopentanone, (E)-, hydrochloride; NSC639979; NSC-639979; 162190-88-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639979	.	.	.	.	299.9	C17H30ClNO	20.3	315	.	20	1	2	7	"InChI=1S/C17H29NO.ClH/c1-2-3-4-5-6-9-15-10-11-16(17(15)19)14-18-12-7-8-13-18;/h9,16H,2-8,10-14H2,1H3;1H/b15-9+;"	CCCCCC/C=C/1\\CCC(C1=O)CN2CCCC2.Cl	INFJGXMCBQDLQE-NSPIFIKESA-N
DG67460	"N,N-bis(2-chloroethyl)-4-[(E)-2-(1-ethyl-6-iodoquinolin-1-ium-2-yl)ethenyl]aniline;iodide"	54608102	CHEMBL2003013; NSC640083; NSC-640083	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640083	.	.	.	.	653.2	C23H24Cl2I2N2	7.1	475	.	29	0	2	8	"InChI=1S/C23H24Cl2IN2.HI/c1-2-28-22(11-6-19-17-20(26)7-12-23(19)28)10-5-18-3-8-21(9-4-18)27(15-13-24)16-14-25;/h3-12,17H,2,13-16H2,1H3;1H/q+1;/p-1"	CC[N+]1=C(C=CC2=C1C=CC(=C2)I)/C=C/C3=CC=C(C=C3)N(CCCl)CCCl.[I-]	CZZLEPJYRKEAEH-UHFFFAOYSA-M
DG67461	(E)-N-[2-[(E)-2-[4-[bis(2-chloroethyl)amino]phenyl]ethenyl]-1-ethylquinolin-1-ium-6-yl]-3-phenylprop-2-enamide;iodide	54608103	CHEMBL1987382; NSC640085; NSC-640085	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640085	.	.	.	.	672.4	C32H32Cl2IN3O	36.2	754	.	39	1	3	11	"InChI=1S/C32H31Cl2N3O.HI/c1-2-37-30(16-10-26-8-14-29(15-9-26)36(22-20-33)23-21-34)17-12-27-24-28(13-18-31(27)37)35-32(38)19-11-25-6-4-3-5-7-25;/h3-19,24H,2,20-23H2,1H3;1H/b19-11+;"	CC[N+]1=C(C=CC2=C1C=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3)/C=C/C4=CC=C(C=C4)N(CCCl)CCCl.[I-]	YSXCTIUDJLDWMW-YLFUTEQJSA-N
DG67462	"(2R,13R,16Z,18S)-16-hydroxyimino-2,18-dimethyl-7-oxa-6,8-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,8-dien-17-one"	54608104	CHEMBL1967439; NSC645465; NSC-645465	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645465	.	.	.	.	343.4	C19H25N3O3	88.6	637	3.2	25	1	6	0	"InChI=1S/C19H25N3O3/c1-18-8-6-14-16(22-25-21-14)12(18)4-3-10-11(18)5-7-19(2)13(10)9-15(20-24)17(19)23/h10-13,24H,3-9H2,1-2H3/b20-15-/t10-,11 ,12 ,13 ,18-,19+/m1/s1"	C[C@]12CCC3=NON=C3C1CC[C@@H]4C2CC[C@]5(C4C/C(=N/O)/C5=O)C	KINBHFUHBUNAOF-NBQFSGFUSA-N
DG67463	NSC670655	54608144	"4a,14-[3]Hexene[1,5]diynonaphtho[2,3-c] phenanthridine-7,12-dione, 1,2,3,4,13,14-hexahydro-4,6-dihydroxy-3,3-dimethoxy-1-methyl-, stereoisomer; CHEMBL1974148; NSC670655; NSC-670655; (1S,4R,4aS,14S,14aS)-1,2,3,4,13,14-Hexahydro-4,6-dihydroxy-3,3-dimethoxy-1-methyl-4a,14a-epoxy-4,14-(3-hexene-1,5-diyne-1,6-diyl)naphtho[2,3-c]phenanthridine-7,12-dione; 4a,14-[3]hexene[1,5]diynonaphtho[2,3-c] phenanthridine-7,12-dione, 1,2,3,4,13,14-hexahydro- 4,6-dihydroxy-3,3-dimethoxy-1-methyl-, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670655	.	.	.	.	509.5	C30H23NO7	118	1280	2.8	38	3	8	2	"InChI=1S/C30H23NO7/c1-16-15-28(36-2,37-3)27(35)13-9-5-4-6-12-21-29(16)30(27,38-29)19-14-20(32)22-23(24(19)31-21)26(34)18-11-8-7-10-17(18)25(22)33/h4-5,7-8,10-11,14,16,21,31-32,35H,15H2,1-3H3/b5-4-/t16-,21-,27-,29-,30-/m0/s1"	C[C@H]1CC([C@]2(C#C/C=C\\C#C[C@H]3[C@]14[C@]2(O4)C5=CC(=C6C(=C5N3)C(=O)C7=CC=CC=C7C6=O)O)O)(OC)OC	QFEWFWSZRWJSHW-HPCMTVGLSA-N
DG67464	"5-bromo-3-[(2S,5S)-5-(5-bromo-1H-indol-3-yl)piperazin-2-yl]-1H-indole;hydrobromide"	54608160	CHEMBL1990069; NSC678531; NSC-678531	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678531	.	.	.	.	555.1	C20H19Br3N4	55.6	462	.	27	5	2	2	"InChI=1S/C20H18Br2N4.BrH/c21-11-1-3-17-13(5-11)15(7-23-17)19-9-26-20(10-25-19)16-8-24-18-4-2-12(22)6-14(16)18;/h1-8,19-20,23-26H,9-10H2;1H/t19-,20-;/m1./s1"	C1[C@@H](NC[C@@H](N1)C2=CNC3=C2C=C(C=C3)Br)C4=CNC5=C4C=C(C=C5)Br.Br	FPIFXMKZHHYXKE-GZJHNZOKSA-N
DG67465	Boc-D-Val-N(Me)Phe-DL-N(Me)Val-DL-N(Me)Val-D-Pro-OBn	54608164	CHEMBL1986115; NSC653627; NSC-653627	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653627	.	.	.	.	792	C44H65N5O8	146	1370	7.1	57	1	8	19	"InChI=1S/C44H65N5O8/c1-28(2)35(45-43(55)57-44(7,8)9)39(51)46(10)34(26-31-20-15-13-16-21-31)38(50)47(11)36(29(3)4)40(52)48(12)37(30(5)6)41(53)49-25-19-24-33(49)42(54)56-27-32-22-17-14-18-23-32/h13-18,20-23,28-30,33-37H,19,24-27H2,1-12H3,(H,45,55)/t33-,34+,35-,36 ,37 /m1/s1"	CC(C)[C@H](C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N2CCC[C@@H]2C(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C	YPGFSHLFWFQPBF-UQEYLCTJSA-N
DG67466	"(3Z)-3-(bromomethylidene)-2,6-dichloro-7-methyloct-1-ene;(3Z)-2,6-dichloro-3-(chloromethylidene)-7-methyloct-1-ene"	54608172	CHEMBL1997931; NSC670797; NSC-670797	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670797	.	.	.	.	527.6	C20H30BrCl5	0	391	.	26	0	0	10	"InChI=1S/C10H15BrCl2.C10H15Cl3/c2*1-7(2)10(13)5-4-9(6-11)8(3)12/h2*6-7,10H,3-5H2,1-2H3/b2*9-6-"	CC(C)C(CC/C(=C/Cl)/C(=C)Cl)Cl.CC(C)C(CC/C(=C/Br)/C(=C)Cl)Cl	NBEMHONFEUUSMA-SYXDLNHMSA-N
DG67467	NSC668915	54608202	"prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5,17-dihydroxy-4,4-dimethoxy-2-methyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14(19),15,17-tetraen-6,10-diyne-13-carboxylate; CHEMBL1990834; NSC668915; NSC-668915"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668915	.	.	.	.	463.5	C26H25NO7	101	1070	1.8	34	2	7	5	"InChI=1S/C26H25NO7/c1-5-14-33-22(29)27-20-12-11-18(28)15-19(20)26-23(30)13-9-7-6-8-10-21(27)25(26,34-26)17(2)16-24(23,31-3)32-4/h5-7,11-12,15,17,21,28,30H,1,14,16H2,2-4H3/b7-6-/t17-,21-,23-,25-,26-/m0/s1"	C[C@H]1CC([C@]2(C#C/C=C\\C#C[C@H]3[C@]14[C@]2(O4)C5=C(N3C(=O)OCC=C)C=CC(=C5)O)O)(OC)OC	PFDTZBDRFUFROC-XBWWFJOOSA-N
DG67468	NSC668917	54608203	"prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5-hydroxy-14-methoxy-2-methyl-4,17-dioxo-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,15,18-trien-6,10-diyne-13-carboxylate; CHEMBL1965850; NSC668917; NSC-668917"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668917	.	.	.	.	447.4	C25H21NO7	106	1250	0.2	33	1	7	4	"InChI=1S/C25H21NO7/c1-4-13-32-21(29)26-19-9-7-5-6-8-11-22(30)20(28)14-16(2)24(19)25(22,33-24)18-15-17(27)10-12-23(18,26)31-3/h4-6,10,12,15-16,19,30H,1,13-14H2,2-3H3/b6-5-/t16-,19-,22-,23 ,24-,25-/m0/s1"	C[C@H]1CC(=O)[C@]2(C#C/C=C\\C#C[C@H]3[C@]14[C@]2(O4)C5=CC(=O)C=CC5(N3C(=O)OCC=C)OC)O	ZDRFLSYEIRVDEX-NPNZLGMKSA-N
DG67469	N''-[(Z)-(2-Fluorophenyl)(phenyl)methylidene]carbonohydrazonic diamide--hydrogen chloride (1/1)	54608243	1511-37-1; DTXSID90714649; NSC67477; NSC-67477; N''-[(Z)-(2-Fluorophenyl)(phenyl)methylidene]carbonohydrazonic diamide--hydrogen chloride (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67477	.	.	.	.	292.74	C14H14ClFN4	76.8	343	.	20	3	3	3	"InChI=1S/C14H13FN4.ClH/c15-12-9-5-4-8-11(12)13(18-19-14(16)17)10-6-2-1-3-7-10;/h1-9H,(H4,16,17,19);1H/b18-13-;"	C1=CC=C(C=C1)/C(=N/N=C(N)N)/C2=CC=CC=C2F.Cl	XMTIMTSDEBFEKX-AAKIMCHBSA-N
DG67470	2-Bromo-1-[6-(2-bromopyridin-1-ium-1-yl)naphthalen-2-yl]pyridin-1-ium;bromide	54608313	NSC129757; NSC-129757	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129757	.	.	.	.	522	C20H14Br3N2+	7.8	380	.	25	0	1	2	InChI=1S/C20H14Br2N2.BrH/c21-19-5-1-3-11-23(19)17-9-7-16-14-18(10-8-15(16)13-17)24-12-4-2-6-20(24)22;/h1-14H;1H/q+2;/p-1	C1=CC=[N+](C(=C1)Br)C2=CC3=C(C=C2)C=C(C=C3)[N+]4=CC=CC=C4Br.[Br-]	GMSFZPAYPYHBEY-UHFFFAOYSA-M
DG67471	"3-N,6-N,2,7-tetramethylacridine-3,6-diamine;hydrochloride"	54608353	NSC32967; NSC-32967; 6323-39-3	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32967	.	.	.	.	301.8	C17H20ClN3	37	302	.	21	3	3	2	"InChI=1S/C17H19N3.ClH/c1-10-5-12-7-13-6-11(2)15(19-4)9-17(13)20-16(12)8-14(10)18-3;/h5-9,18-19H,1-4H3;1H"	CC1=CC2=CC3=C(C=C(C(=C3)C)NC)N=C2C=C1NC.Cl	CFKKFOIRBVHDTF-UHFFFAOYSA-N
DG67472	"1H-Pyrano[3',7]indolizino[1,2-b]quinoline,leucine deriv."	54608402	"CHEMBL1971335; NSC681634; NSC-681634; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline,leucine deriv.; Leucine,4,12,14-tetrahydro-4-hydroxy- 3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-11-yl)methylene]hydrazide, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681634	.	.	.	.	540	C27H30ClN5O5	147	1070	.	38	4	8	6	"InChI=1S/C27H29N5O5.ClH/c1-4-27(36)19-10-22-23-17(12-32(22)25(34)18(19)13-37-26(27)35)16(15-7-5-6-8-21(15)30-23)11-29-31-24(33)20(28)9-14(2)3;/h5-8,10-11,14,20,36H,4,9,12-13,28H2,1-3H3,(H,31,33);1H/b29-11-;/t20 ,27-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N\\NC(=O)C(CC(C)C)N)O.Cl	UMMXWRQDMFFTIQ-SMRVMXDDSA-N
DG67473	"1H-Pyrano[3',7]indolizino[1,2-b]quinoline,glycine deriv"	54608404	"CHEMBL1972969; NSC681637; NSC-681637; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline,glycine deriv; Glycine,4,12,14-tetrahydro-4-hydroxy- 3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-11-yl)methylene]hydrazide, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681637	.	.	.	.	483.9	C23H22ClN5O5	147	974	.	34	4	8	4	"InChI=1S/C23H21N5O5.ClH/c1-2-23(32)16-7-18-20-14(10-28(18)21(30)15(16)11-33-22(23)31)13(9-25-27-19(29)8-24)12-5-3-4-6-17(12)26-20;/h3-7,9,32H,2,8,10-11,24H2,1H3,(H,27,29);1H/b25-9-;/t23-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N\\NC(=O)CN)O.Cl	HCSYBVXKMRSFGO-BBZRIIBOSA-N
DG67474	"1H-Pyrano[3',7]indolizino[1,2-b]quinoline,proline deriv"	54608406	"CHEMBL1992482; NSC681638; NSC-681638; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline,proline deriv; Proline,4,12,14-tetrahydro-4-hydroxy- 3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-11-yl)methylene]hydrazide, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681638	.	.	.	.	524	C26H26ClN5O5	133	1070	.	37	4	8	4	"InChI=1S/C26H25N5O5.ClH/c1-2-26(35)18-10-21-22-16(12-31(21)24(33)17(18)13-36-25(26)34)15(14-6-3-4-7-19(14)29-22)11-28-30-23(32)20-8-5-9-27-20;/h3-4,6-7,10-11,20,27,35H,2,5,8-9,12-13H2,1H3,(H,30,32);1H/b28-11-;/t20 ,26-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N\\NC(=O)C6CCCN6)O.Cl	FZXLCMOYPYDKLS-YJWRHCKUSA-N
DG67475	"1H-Pyrano[3',7]indolizino[1,2-b]quinoline,tryptophan deriv."	54608408	"CHEMBL2006413; NSC681640; NSC-681640; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline,tryptophan deriv.; Tryptophan,4,12,14-tetrahydro-4-hydroxy- 3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-11-yl)methylene]hydrazide, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681640	.	.	.	.	613.1	C32H29ClN6O5	163	1260	.	44	5	8	6	"InChI=1S/C32H28N6O5.ClH/c1-2-32(42)23-12-27-28-21(15-38(27)30(40)22(23)16-43-31(32)41)20(19-8-4-6-10-26(19)36-28)14-35-37-29(39)24(33)11-17-13-34-25-9-5-3-7-18(17)25;/h3-10,12-14,24,34,42H,2,11,15-16,33H2,1H3,(H,37,39);1H/b35-14-;/t24 ,32-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N\\NC(=O)C(CC6=CNC7=CC=CC=C76)N)O.Cl	BWQAZXRQACFATN-BFXWLBEMSA-N
DG67476	"1H-Pyrano[3',7]indolizino[1,2-b]quinoline,cysteine deriv."	54608410	"CHEMBL1968839; NSC681642; NSC-681642; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline,cysteine deriv.; Cysteine,4,12,14-tetrahydro-4-hydroxy- 3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-11-yl)methylene]hydrazide, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681642	.	.	.	.	530	C24H24ClN5O5S	148	1030	.	36	5	9	5	"InChI=1S/C24H23N5O5S.ClH/c1-2-24(33)16-7-19-20-14(9-29(19)22(31)15(16)10-34-23(24)32)13(8-26-28-21(30)17(25)11-35)12-5-3-4-6-18(12)27-20;/h3-8,17,33,35H,2,9-11,25H2,1H3,(H,28,30);1H/b26-8-;/t17 ,24-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N\\NC(=O)C(CS)N)O.Cl	XCSINKBBQFDVDN-RQRDWYMYSA-N
DG67477	"1H-Pyrano[3',7]indolizino[1,2-b]quinoline,isoleucine deriv."	54608412	"CHEMBL1999172; NSC681643; NSC-681643; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline,isoleucine deriv.; Isoleucine,4,12,14-tetrahydro-4-hydroxy- 3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-11-yl)methylene]hydrazide, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681643	.	.	.	.	540	C27H30ClN5O5	147	1070	.	38	4	8	6	"InChI=1S/C27H29N5O5.ClH/c1-4-14(3)22(28)24(33)31-29-11-16-15-8-6-7-9-20(15)30-23-17(16)12-32-21(23)10-19-18(25(32)34)13-37-26(35)27(19,36)5-2;/h6-11,14,22,36H,4-5,12-13,28H2,1-3H3,(H,31,33);1H/b29-11-;/t14 ,22 ,27-;/m0./s1"	CCC(C)C(C(=O)N/N=C\\C1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=CC=CC=C51)N.Cl	YEZRUBTZTSTSJL-GLWLTATESA-N
DG67478	"1H-Pyrano[3',7]indolizino[1,2-b]quinoline,oxamic acid deriv."	54608414	"CHEMBL1993087; NSC681645; NSC-681645; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline,oxamic acid deriv.; Acetic acid, [(4-ethyl-3,4,12,14-tetrahydro- 4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino [1,2-b]quinolin-yl)methylene]hydrazide,monohydrochloride; Oxamic acid,4,12,14-tetrahydro-4-hydroxy- 3,14-dioxo-1H-pyrano[3',4'':6,7]indolizino[1,2-b]quinolin-11-yl)methylene]hydrazide, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681645	.	.	.	.	497.9	C23H20ClN5O6	164	1050	.	35	4	8	3	"InChI=1S/C23H19N5O6.ClH/c1-2-23(33)15-7-17-18-13(9-28(17)21(31)14(15)10-34-22(23)32)12(8-25-27-20(30)19(24)29)11-5-3-4-6-16(11)26-18;/h3-8,33H,2,9-10H2,1H3,(H2,24,29)(H,27,30);1H/b25-8-;/t23-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N\\NC(=O)C(=O)N)O.Cl	YRPILRAHWQXYSW-PTICAZPPSA-N
DG67479	"1H-Pyrano[3',7]indolizino[1,2-b]quinoline,serine deriv."	54608425	"CHEMBL1985778; NSC681633; NSC-681633; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline,serine deriv.; Serine,4,12,14-tetrahydro-4-hydroxy- 3,14-dioxo-1H-pyrano[3,4:6,7]indolizino[1,2-b]quinolin-11-yl)methylene]hydrazide, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681633	.	.	.	.	513.9	C24H24ClN5O6	167	1020	.	36	5	9	5	"InChI=1S/C24H23N5O6.ClH/c1-2-24(34)16-7-19-20-14(9-29(19)22(32)15(16)11-35-23(24)33)13(8-26-28-21(31)17(25)10-30)12-5-3-4-6-18(12)27-20;/h3-8,17,30,34H,2,9-11,25H2,1H3,(H,28,31);1H/b26-8-;/t17 ,24-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N\\NC(=O)C(CO)N)O.Cl	WEOSKUBEFLTKBY-RQRDWYMYSA-N
DG67480	"1H-Pyrano[3',7]indolizino[1,2-b]quinoline,alanine deriv."	54608427	"CHEMBL1987342; NSC681636; NSC-681636; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline,alanine deriv.; Alanine,4,12,14-tetrahydro-4-hydroxy- 3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-11-yl)methylene]hydrazide, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681636	.	.	.	.	497.9	C24H24ClN5O5	147	1010	.	35	4	8	4	"InChI=1S/C24H23N5O5.ClH/c1-3-24(33)17-8-19-20-15(10-29(19)22(31)16(17)11-34-23(24)32)14(9-26-28-21(30)12(2)25)13-6-4-5-7-18(13)27-20;/h4-9,12,33H,3,10-11,25H2,1-2H3,(H,28,30);1H/b26-9-;/t12 ,24-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N\\NC(=O)C(C)N)O.Cl	STZLIGFSTBEMSS-NEEDQATFSA-N
DG67481	"1H-Pyrano[3',7]indolizino[1,2-b]quinoline,pyridinium deriv."	54608429	"CHEMBL1969878; NSC681646; NSC-681646; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline,pyridinium deriv.; Pyridinium,4,12,14-tetrahydro- 4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino [1,2-b]quinolin-11-yl)methylene]hydrazino]-2-oxoethyl]-,chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681646	.	.	.	.	546	C28H24ClN5O5	125	1100	.	39	2	8	5	"InChI=1S/C28H23N5O5.ClH/c1-2-28(37)21-12-23-25-19(14-33(23)26(35)20(21)16-38-27(28)36)18(17-8-4-5-9-22(17)30-25)13-29-31-24(34)15-32-10-6-3-7-11-32;/h3-13,37H,2,14-16H2,1H3;1H/t28-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N\\NC(=O)C[N+]6=CC=CC=C6)O.[Cl-]	DKPXKFFZOGUNNM-JCOPYZAKSA-N
DG67482	NSC688230	54608453	"[(1S,4S,5S,6R,9S,10R,11R,12R,14R)-7-(acetyloxymethyl)-5,6-dihydroxy-3,11,14-trimethyl-11-[(Z)-2-methylbut-2-enoyl]oxy-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate; CHEMBL1989075; NSC688230; NSC-688230"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688230	.	.	.	.	556.6	C31H40O9	136	1270	2	40	2	9	9	"InChI=1S/C31H40O9/c1-9-15(3)27(35)39-26-17(5)13-30-18(6)11-22-23(29(22,8)40-28(36)16(4)10-2)21(25(30)34)12-20(14-38-19(7)32)24(33)31(26,30)37/h9-10,12-13,18,21-24,26,33,37H,11,14H2,1-8H3/b15-9-,16-10-/t18-,21+,22-,23+,24-,26+,29-,30+,31+/m1/s1"	C/C=C(/C)\\C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]4[C@H]([C@@]4(C)OC(=O)/C(=C\\C)/C)C[C@H]3C)COC(=O)C)O)O)C	GJRRUWXAOKVFEV-AFWHDFIPSA-N
DG67483	Artemisinin dimer hemisuccinate	54608484	"NSC-724910; NSC724910; ARTEMISININ DIMER HEMISUCCINATE; 3,3-j]-1,2-benzodioxepin, 10,10'-[(2-hydroxy-1,3-propanediyl)bis(oxy)] bis[decahydro- 3,6,9-trimethyl-, hemisuccinate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724910	.	.	.	.	724.8	C37H56O14	156	1250	5.3	51	1	14	11	"InChI=1S/C37H56O14/c1-19-7-9-26-21(3)30(44-32-36(26)24(19)13-15-34(5,46-32)48-50-36)41-17-23(43-29(40)12-11-28(38)39)18-42-31-22(4)27-10-8-20(2)25-14-16-35(6)47-33(45-31)37(25,27)51-49-35/h19-27,30-33H,7-18H2,1-6H3,(H,38,39)/t19-,20-,21-,22-,23 ,24+,25+,26 ,27 ,30+,31+,32 ,33 ,34-,35-,36-,37-/m1/s1"	C[C@@H]1CCC2[C@H]([C@H](OC3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OCC(CO[C@@H]5[C@@H](C6CC[C@H]([C@H]7[C@]68C(O5)O[C@@](CC7)(OO8)C)C)C)OC(=O)CCC(=O)O)C	CECFVUQUCXYIPF-BKNYPEQFSA-N
DG67484	Torisel (TM)	54608508	"Temsirolimus; NSC-683864; Torisel (TM); Rapamycin 42-[2,2-bis(hydroxymethyl)propionate]; 162635-04-3; NSC683864; WAY-130,779; Rapamycin 42-[3-hydroxy-2(hydroxymethyl)-2-methylpropanoate]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683864	.	.	.	.	1030.3	C56H87NO16	242	2010	5.6	73	4	16	11	"InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18 ,38-26 /t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1"	C[C@@H]1CC[C@H]2C[C@@H](C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CBPNZQVSJQDFBE-VBSVFFBFSA-N
DG67485	"Glycochenodeoxycholic acid, sodium salt"	54608510	"Glycochenodeoxycholic acid, sodium salt; 16564-43-5; NSC681056; NSC-681056; 5.beta.-Cholan-24-amide,7.alpha.-, sodium salt; Glycine,5.beta.,7.alpha.)-3,7-dihydroxy-24-oxocholan-24-yl]-, sodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681056	.	.	.	.	472.6	C26H43NNaO5+	107	727	.	33	4	5	6	"InChI=1S/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-;/m1./s1"	C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]	AAYACJGHNRIFCT-YRJJIGPTSA-N
DG67486	Trunculin-A methyl ester	54608546	Trunculin-A methyl ester; CHEMBL1988324; NSC641035; NSC-641035	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641035	.	.	.	.	404.6	C25H40O4	44.8	689	5.1	29	0	4	6	"InChI=1S/C25H40O4/c1-16-8-9-21-19(14-16)15-17(2)20(24(21,4)5)10-12-25(6)13-11-22(28-29-25)18(3)23(26)27-7/h14,18-19,21-22H,8-13,15H2,1-7H3/t18-,19 ,21 ,22+,25+/m0/s1"	CC1=CC2CC(=C(C(C2CC1)(C)C)CC[C@@]3(CC[C@@H](OO3)[C@H](C)C(=O)OC)C)C	SXELECXXRAJAPF-VDBUNRCNSA-N
DG67487	(2E)-2-butan-2-ylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride	54608547	CHEMBL1973447; NSC639985; NSC-639985	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639985	.	.	.	.	231.76	C12H22ClNO	20.3	253	.	15	1	2	3	"InChI=1S/C12H21NO.ClH/c1-5-9(2)11-7-6-10(12(11)14)8-13(3)4;/h10H,5-8H2,1-4H3;1H/b11-9+;"	CC/C(=C/1\\CCC(C1=O)CN(C)C)/C.Cl	RYBGRWXYUTXBDA-LBEJWNQZSA-N
DG67488	"(3Z,5Z)-3,5-bis[(4-methoxyphenyl)methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide"	54608638	CHEMBL1981213; NSC634792; NSC-634792	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634792	.	.	.	.	491.4	C23H26INO3	35.5	528	.	28	0	4	4	"InChI=1S/C23H26NO3.HI/c1-24(2)15-19(13-17-5-9-21(26-3)10-6-17)23(25)20(16-24)14-18-7-11-22(27-4)12-8-18;/h5-14H,15-16H2,1-4H3;1H/q+1;/p-1/b19-13-,20-14-;"	C[N+]1(C/C(=C/C2=CC=C(C=C2)OC)/C(=O)/C(=C\\C3=CC=C(C=C3)OC)/C1)C.[I-]	OVOCUYYSNQBYJR-RPQATXMZSA-M
DG67489	18-Crown-6-tantalum(V)pentachloride	54608657	NSC632590; 18-Crown-6-tantalum(V)pentachloride; NSC-632590	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632590	.	.	.	.	486.76	C12H30ClO6Ta+10	6	114	.	20	6	1	0	InChI=1S/C12H24O6.ClH.Ta/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;;/h1-12H2;1H;/q;;+5/p+5	C1C[OH+]CC[OH+]CC[OH+]CC[OH+]CC[OH+]CC[OH+]1.[Cl-].[Ta+5]	VXMXCLWBEYYHLB-UHFFFAOYSA-S
DG67490	Dypnone guanyl hydrazone hydrochloride	54608667	25747-36-8; CHEMBL1998063; NSC67025; NSC-67025; Dypnone guanyl hydrazone hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67025	.	.	.	.	314.8	C17H19ClN4	76.8	407	.	22	3	2	4	"InChI=1S/C17H18N4.ClH/c1-13(14-8-4-2-5-9-14)12-16(20-21-17(18)19)15-10-6-3-7-11-15;/h2-12H,1H3,(H4,18,19,21);1H/b13-12-,20-16-;"	C/C(=C/C(=N/N=C(N)N)/C1=CC=CC=C1)/C2=CC=CC=C2.Cl	FHQOLBQKSNLIEZ-UOHPEKPOSA-N
DG67491	NSC670656	54608726	"4a,14-[3]hexene[1,5]diynonaphtho[2,3-c] phenanthridine-3,7,12(4H)-trione, 1,2,13,14-tetrahydro-4,6-dihydroxy-1-methyl-, stereoisomer; CHEMBL1972734; NSC670656; NSC-670656; 4a,14-[3]hexene[1,5]diynonaphtho[2,3-c] phenanthridine-3,7,12(4H)-trione, 1,2,13,14-tetrahydro-4,6-dihydroxy-1-methyl-, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670656	.	.	.	.	463.4	C28H17NO6	116	1240	2.7	35	3	7	0	"InChI=1S/C28H17NO6/c1-14-12-20(31)26(34)11-7-3-2-4-10-19-27(14)28(26,35-27)17-13-18(30)21-22(23(17)29-19)25(33)16-9-6-5-8-15(16)24(21)32/h2-3,5-6,8-9,13-14,19,29-30,34H,12H2,1H3/b3-2-/t14-,19-,26-,27-,28-/m0/s1"	C[C@H]1CC(=O)[C@]2(C#C/C=C\\C#C[C@H]3[C@]14[C@]2(O4)C5=CC(=C6C(=C5N3)C(=O)C7=CC=CC=C7C6=O)O)O	IQYRZKUVJRVIFN-HYGYKECYSA-N
DG67492	Blenoxane (TN) (Bristol Meyers)	54608728	NSC125066; Bleo; Bleomycin sulfate; CHEMBL1977624; Blenoxane (TN) (Bristol Meyers)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	125066	.	.	.	.	1512.6	C55H85N17O25S4	770	2660	.	101	21	35	36	"InChI=1S/C55H83N17O21S3.H2O4S/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6;1-5(2,3)4/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88);(H2,1,2,3,4)/t21-,22+,23+,24-,25-,29 ,30 ,34-,35-,36-,37 ,38 ,39 ,40 ,41 ,42 ,43 ,53 ,54 ;/m0./s1"	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H](C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.OS(=O)(=O)[O-]	WUIABRMSWOKTOF-NUAMMRKQSA-N
DG67493	Epothilon A and Epothilon B (4:1 mixture)	54608765	CHEMBL1983958; NSC670547; NSC-670547; Epothilon A and Epothilon B (4:1 mixture); Epothilone A and Epothilone B (4:1 mixture)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670547	.	.	.	.	1001.3	C53H80N2O12S2	275	1590	.	69	4	16	4	"InChI=1S/C27H41NO6S.C26H39NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31;1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3;10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b16-11+;15-10+/t15-,17+,20-,21-,22-,24-,27+;14-,16+,19+,20-,21-,22-,24-/m00/s1"	C[C@H]1CCC[C@@H]2[C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C.C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	DQKQNUZTSQSGPV-JJJQTZHHSA-N
DG67494	Antineoplastic-689577	54608780	ANTINEOPLASTIC-689577; NSC689577; NSC-689577	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689577	.	.	.	.	1193.3	C62H76N6O18	375	2420	4.4	86	12	18	25	"InChI=1S/C62H76N6O18/c1-8-61(6,59(82)64-27-32(2)70)31-60(4,5)58(81)65-29-45(73)67-40(23-35-18-13-10-14-19-35)57(80)68-39(22-34-16-11-9-12-17-34)56(79)63-28-44(72)66-38-24-46(85-33(3)51(38)74)86-42-26-62(83,43(71)30-69)25-37-48(42)55(78)50-49(53(37)76)52(75)36-20-15-21-41(84-7)47(36)54(50)77/h9-21,32-33,38-40,42,46,51,69-70,74,76,78,83H,8,22-31H2,1-7H3,(H,63,79)(H,64,82)(H,65,81)(H,66,72)(H,67,73)(H,68,80)"	CCC(C)(CC(C)(C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)NC3CC(OC(C3O)C)OC4CC(CC5=C4C(=C6C(=C5O)C(=O)C7=C(C6=O)C(=CC=C7)OC)O)(C(=O)CO)O)C(=O)NCC(C)O	VXUWLQLFUSXTFP-UHFFFAOYSA-N
DG67495	"Dichloro(1,10,16-tetraoxa-4,13-diazoniacyclooctadecane)-platinum(IV)dichloride"	54608807	"NSC633559; NSC-633559; Dichloro(1,10,16-tetraoxa-4,13-diazoniacyclooctadecane)-platinum(IV)dichloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633559	.	.	.	.	533.4	C12H31Cl2N2O4Pt+7	28.1	144	.	21	7	3	0	"InChI=1S/C12H26N2O4.2ClH.Pt/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1;;;/h13-14H,1-12H2;2*1H;/q;;;+4/p+3"	C1C[OH+]CC[OH+]CCNCC[OH+]CC[OH+]CCN1.Cl.[Cl-].[Pt+4]	ZMKOKPVQRXGSFN-UHFFFAOYSA-Q
DG67496	"(3Z,5Z)-3,5-bis[(4-fluorophenyl)methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide"	54608810	CHEMBL1966357; NSC634794; NSC-634794	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634794	.	.	.	.	467.3	C21H20F2INO	17.1	504	.	26	0	4	2	"InChI=1S/C21H20F2NO.HI/c1-24(2)13-17(11-15-3-7-19(22)8-4-15)21(25)18(14-24)12-16-5-9-20(23)10-6-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1/b17-11-,18-12-;"	C[N+]1(C/C(=C/C2=CC=C(C=C2)F)/C(=O)/C(=C\\C3=CC=C(C=C3)F)/C1)C.[I-]	SBBYZDYSUGGIRJ-YIQLKAPXSA-M
DG67497	"3,4'',4'''-Tetrasulfonyl copper phthalocyanine, tetra sodium salt"	54608826	"NSC-641048; 3,4'',4'''-Tetrasulfonyl copper phthalocyanine, tetra sodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641048	.	.	.	.	915.3	C32H12CuN8NaO12S4-3	339	2300	.	58	0	16	0	"InChI=1S/C32H16N8O12S4.Cu.Na/c41-53(42,43)13-1-5-17-21(9-13)29-34-25(17)33-26-18-6-2-15(55(47,48)49)11-23(18)31(35-26)40-32-24-12-16(56(50,51)52)4-8-20(24)28(39-32)38-30-22-10-14(54(44,45)46)3-7-19(22)27(36-29)37-30;;/h1-12H,(H4-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);;/q-2;+2;+1/p-4"	C1=CC2=C(C=C1S(=O)(=O)[O-])C3=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=C(C=CC(=C8)S(=O)(=O)[O-])C(=N7)N=C2[N-]3)S(=O)(=O)[O-])C9=C4C=CC(=C9)S(=O)(=O)[O-].[Na+].[Cu+2]	GALUQLOHKZHXAP-UHFFFAOYSA-J
DG67498	"1H-Pyrano[3',7]indolizino[1,2-b]quinoline,methionine deriv."	54608835	"CHEMBL1997383; NSC681635; NSC-681635; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline,methionine deriv.; Methionine,4,12,14-tetrahydro-4-hydroxy- 3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-11-yl)methylene]hydrazide, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681635	.	.	.	.	558	C26H28ClN5O5S	173	1060	.	38	4	9	7	"InChI=1S/C26H27N5O5S.ClH/c1-3-26(35)18-10-21-22-16(12-31(21)24(33)17(18)13-36-25(26)34)15(14-6-4-5-7-20(14)29-22)11-28-30-23(32)19(27)8-9-37-2;/h4-7,10-11,19,35H,3,8-9,12-13,27H2,1-2H3,(H,30,32);1H/b28-11-;/t19 ,26-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N\\NC(=O)C(CCSC)N)O.Cl	DIPRQQLOCWIKGQ-VHJCEVHXSA-N
DG67499	"Meso-2, dihydrochloride"	54608848	"meso-2, dihydrochloride; CHEMBL2000551; NSC700252; NSC-700252"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700252	.	.	.	.	747.2	C33H47ClN10O8	292	1190	.	52	9	13	21	"InChI=1S/C33H46N10O8.ClH/c1-19(40-32(47)21(34)8-5-9-22(35)33(48)51-2)31(46)42-25(30(36)45)13-14-27(44)38-17-15-37-16-18-39-29-20-7-3-4-10-23(20)41-24-11-6-12-26(28(24)29)43(49)50;/h3-4,6-7,10-12,19,21-22,25,37H,5,8-9,13-18,34-35H2,1-2H3,(H2,36,45)(H,38,44)(H,39,41)(H,40,47)(H,42,46);1H"	CC(C(=O)NC(CCC(=O)NCCNCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(CCCC(C(=O)OC)N)N.Cl	NUNQAGHQPPZIPL-UHFFFAOYSA-N
DG67500	"methyl (Z)-3-(3,5-dioxo-1,2,4-triazin-2-yl)prop-2-enoate"	54608859	CHEMBL1990595; NSC678964; NSC-678964	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678964	.	.	.	.	197.15	C7H7N3O4	88.1	334	-0.7	14	1	5	3	"InChI=1S/C7H7N3O4/c1-14-6(12)2-3-10-7(13)9-5(11)4-8-10/h2-4H,1H3,(H,9,11,13)/b3-2-"	COC(=O)/C=C\\N1C(=O)NC(=O)C=N1	AHUQDSKNXLAQJN-IHWYPQMZSA-N
DG67501	(-)-Huprine Y	54608866	CHEMBL1994202; (-)-Huprine Y; NSC720262; NSC-720262	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720262	.	.	.	.	321.2	C17H18Cl2N2	38.9	421	.	21	2	2	0	"InChI=1S/C17H17ClN2.ClH/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19;/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20);1H/t10-,11+;/m0./s1"	CC1=C[C@H]2C[C@@H](C1)C3=C(C4=C(C=C(C=C4)Cl)N=C3C2)N.Cl	PIFZZHUTNUAVBT-VZXYPILPSA-N
DG67502	NSC668918	54608874	"(1S,2S,5R,8Z,12S,20S)-5-hydroxy-4,4-dimethoxy-2-methyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,13,15,18-tetraen-6,10-diyn-17-one; NSC668918; NSC-668918"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668918	.	.	.	.	377.4	C22H19NO5	80.6	1070	-0.1	28	1	6	2	"InChI=1S/C22H19NO5/c1-14-13-20(26-2,27-3)19(25)11-7-5-4-6-8-18-21(14)22(19,28-21)16-12-15(24)9-10-17(16)23-18/h4-5,9-10,12,14,18,25H,13H2,1-3H3/b5-4-/t14-,18-,19-,21-,22-/m0/s1"	C[C@H]1CC([C@]2(C#C/C=C\\C#C[C@H]3[C@]14[C@]2(O4)C5=CC(=O)C=CC5=N3)O)(OC)OC	OAGMOQFBOHDCHJ-HKWPUVMNSA-N
DG67503	"Sodium;[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]sulfamic acid"	54608881	NSC696154; NSC-696154	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696154	.	.	.	.	363.8	C13H9ClN2NaO3S2+	116	471	.	22	2	6	3	"InChI=1S/C13H9ClN2O3S2.Na/c14-9-7-8(5-6-10(9)16-21(17,18)19)13-15-11-3-1-2-4-12(11)20-13;/h1-7,16H,(H,17,18,19);/q;+1"	C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)NS(=O)(=O)O)Cl.[Na+]	ZTLOACHXBVROBG-UHFFFAOYSA-N
DG67504	(2E)-2-[2-[4-(2-methylpropyl)phenyl]propylidene]-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride	54608909	CHEMBL2005007; NSC639977; NSC-639977	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639977	.	.	.	.	376	C23H34ClNO	20.3	467	.	26	1	2	6	"InChI=1S/C23H33NO.ClH/c1-17(2)14-19-6-8-20(9-7-19)18(3)15-21-10-11-22(23(21)25)16-24-12-4-5-13-24;/h6-9,15,17-18,22H,4-5,10-14,16H2,1-3H3;1H/b21-15+;"	CC(C)CC1=CC=C(C=C1)C(C)/C=C/2\\CCC(C2=O)CN3CCCC3.Cl	YMKFNUBTBSPWMS-NEMIEIFKSA-N
DG67505	"Combretastatin A-4, sodium salt"	54608929	"Combretastatin A-4, sodium salt; NSC639694; NSC-639694"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639694	.	.	.	.	339.3	C18H20NaO5+	57.2	358	.	24	1	5	6	"InChI=1S/C18H20O5.Na/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3;/h5-11,19H,1-4H3;/q;+1/b6-5-;"	COC1=C(C=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC)O.[Na+]	ANOZOMHKUHDDDT-YSMBQZINSA-N
DG67506	NSC681632	54608935	"2-amino-N-[(Z)-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methylideneamino]-3-(4-hydroxyphenyl)propanamide;hydrochloride; CHEMBL1999304; NSC681632; NSC-681632"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681632	.	.	.	.	590	C30H28ClN5O6	167	1180	.	42	5	9	6	"InChI=1S/C30H27N5O6.ClH/c1-2-30(40)22-12-25-26-20(14-35(25)28(38)21(22)15-41-29(30)39)19(18-5-3-4-6-24(18)33-26)13-32-34-27(37)23(31)11-16-7-9-17(36)10-8-16;/h3-10,12-13,23,36,40H,2,11,14-15,31H2,1H3,(H,34,37);1H/b32-13-;/t23 ,30-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N\\NC(=O)C(CC6=CC=C(C=C6)O)N)O.Cl	HOOGAPKFLLRCDE-HAVXLIFDSA-N
DG67507	"1H-Pyrano[3',7]indolizino[1,2-b]quinoline,histidine deriv."	54608937	"CHEMBL1992172; NSC681639; NSC-681639; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline,histidine deriv.; Histidine,4,12,14-tetrahydro-4-hydroxy- 3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-11-yl)methylene]hydrazide, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681639	.	.	.	.	564	C27H26ClN7O5	176	1140	.	40	5	9	6	"InChI=1S/C27H25N7O5.ClH/c1-2-27(38)19-8-22-23-17(11-34(22)25(36)18(19)12-39-26(27)37)16(15-5-3-4-6-21(15)32-23)10-31-33-24(35)20(28)7-14-9-29-13-30-14;/h3-6,8-10,13,20,38H,2,7,11-12,28H2,1H3,(H,29,30)(H,33,35);1H/b31-10-;/t20 ,27-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N\\NC(=O)C(CC6=CN=CN6)N)O.Cl	BNTKVCTZDVDUDI-ZEPXXKTOSA-N
DG67508	"1H-Pyrano[3',7]indolizino[1,2-b]quinoline,glycine deriv."	54608939	"CHEMBL1995888; NSC681644; NSC-681644; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline,glycine deriv.; Glycine hydrazide,4':6,7]indolizino[1,2-b]quinolin-11-yl deriv.; Ethanaminium,4,12,14-tetrahydro- 4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino [1,2-b]quinolin-11-yl)methylene]hydrazino]-N,N,N-trimethyl-2-oxo-, chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681644	.	.	.	.	526	C26H28ClN5O5	121	1060	.	37	2	8	5	"InChI=1S/C26H27N5O5.ClH/c1-5-26(35)19-10-21-23-17(12-30(21)24(33)18(19)14-36-25(26)34)16(15-8-6-7-9-20(15)28-23)11-27-29-22(32)13-31(2,3)4;/h6-11,35H,5,12-14H2,1-4H3;1H/t26-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N/NC(=O)C[N+](C)(C)C)O.[Cl-]	PNLAJXJZJOSGHB-SNYZSRNZSA-N
DG67509	"11-Heptyl-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14(19),15,17-decaen-20-one"	54608959	NSC697270; NSC-697270	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697270	.	.	.	.	381.5	C25H23N3O	55.7	580	6.2	29	0	4	6	"InChI=1S/C25H23N3O/c1-2-3-4-5-6-10-16-15-19-17-11-7-8-13-20(17)28-24-21(19)23(27-16)22-18(25(24)29)12-9-14-26-22/h7-9,11-15H,2-6,10H2,1H3"	CCCCCCCC1=CC2=C3C(=N1)C4=C(C=CC=N4)C(=O)C3=NC5=CC=CC=C52	RUODLUXNYXJRIH-UHFFFAOYSA-N
DG67510	"9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(3-methoxyphenyl)-"	54608964	"NSC697747; NSC-697747; 9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(3-methoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697747	.	.	.	.	389.4	C25H15N3O2	65	656	4.5	30	0	5	2	"InChI=1S/C25H15N3O2/c1-30-15-7-4-6-14(12-15)20-13-18-16-8-2-3-10-19(16)27-24-21(18)23(28-20)22-17(25(24)29)9-5-11-26-22/h2-13H,1H3"	COC1=CC=CC(=C1)C2=NC3=C4C(=C2)C5=CC=CC=C5N=C4C(=O)C6=C3N=CC=C6	MBZVDXZVXCZACZ-UHFFFAOYSA-N
DG67511	"9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(4-nitrophenyl)-"	54608965	"NSC697748; NSC-697748; 9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(4-nitrophenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697748	.	.	.	.	404.4	C24H12N4O3	102	718	4.3	31	0	6	1	InChI=1S/C24H12N4O3/c29-24-16-5-3-11-25-21(16)22-20-17(15-4-1-2-6-18(15)26-23(20)24)12-19(27-22)13-7-9-14(10-8-13)28(30)31/h1-12H	C1=CC=C2C(=C1)C3=CC(=NC4=C3C(=N2)C(=O)C5=C4N=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-]	JSFAUMFBRMXMFJ-UHFFFAOYSA-N
DG67512	NSC697268	54608971	"(3aS,5S,6R,9S,10R,13E,15aS)-3-Methylene-5,9-diiodo-6,10,14-trimethyl-6,10-epoxy-2,3,3a,4,5,6,7,8,9,10,11,12,15,15a-tetradecahydrocyclotetradeca[b]furan-2-one; CHEMBL2005027; NSC697268; NSC-697268; (3aS,5S,6R,9S,10R,13E,15aS)-3-Methylene-5,9-diiodo-6,10,14-trimethyl-6,10-epoxy-2,3,3a,4,5,6,7,8,9,10,11,12,15,15a-tetradecahydrocyclotetradeca[b]furan-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697268	.	.	.	.	570.2	C20H28I2O3	35.5	602	5.2	25	0	3	0	"InChI=1S/C20H28I2O3/c1-12-6-5-8-19(3)16(21)7-9-20(4,25-19)17(22)11-14-13(2)18(23)24-15(14)10-12/h6,14-17H,2,5,7-11H2,1,3-4H3/b12-6+/t14-,15-,16-,17-,19+,20+/m0/s1"	C/C/1=C\\CC[C@@]2([C@H](CC[C@@](O2)([C@H](C[C@@H]3[C@H](C1)OC(=O)C3=C)I)C)I)C	ABJVPMGWAANYLW-IGWMKULSSA-N
DG67513	"9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(4-methylphenyl)-"	54608995	"CHEMBL4750550; NSC698244; NSC-698244; 9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(4-methylphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698244	.	.	.	.	373.4	C25H15N3O	55.7	630	4.9	29	0	4	1	"InChI=1S/C25H15N3O/c1-14-8-10-15(11-9-14)20-13-18-16-5-2-3-7-19(16)27-24-21(18)23(28-20)22-17(25(24)29)6-4-12-26-22/h2-13H,1H3"	CC1=CC=C(C=C1)C2=NC3=C4C(=C2)C5=CC=CC=C5N=C4C(=O)C6=C3N=CC=C6	LVQTTZXQIGFSMZ-UHFFFAOYSA-N
DG67514	"9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(2-nitrophenyl)-"	54608997	"NSC698243; NSC-698243; 9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(2-nitrophenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698243	.	.	.	.	404.4	C24H12N4O3	102	726	4.3	31	0	6	1	InChI=1S/C24H12N4O3/c29-24-15-8-5-11-25-21(15)22-20-16(13-6-1-3-9-17(13)26-23(20)24)12-18(27-22)14-7-2-4-10-19(14)28(30)31/h1-12H	C1=CC=C2C(=C1)C3=CC(=NC4=C3C(=N2)C(=O)C5=C4N=CC=C5)C6=CC=CC=C6[N+](=O)[O-]	XKNLGDPIFYVQEQ-UHFFFAOYSA-N
DG67515	Bis(4-bromophenyl)iodanium;hydroiodide	54609012	NSC8974; NSC-8974	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8974	.	.	.	.	566.82	C12H9Br2I2+	0	162	.	16	1	0	2	InChI=1S/C12H8Br2I.HI/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;/h1-8H;1H/q+1;	C1=CC(=CC=C1Br)[I+]C2=CC=C(C=C2)Br.I	YFAMUFPIZXTBHX-UHFFFAOYSA-N
DG67516	"1,3,3-trimethyl-2-[(1Z,3E)-4-phenylbuta-1,3-dienyl]indol-1-ium;iodide"	54609031	NSC10534; NSC-10534; 5418-85-9	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10534	.	.	.	.	415.3	C21H22IN	3	474	.	23	0	1	3	"InChI=1S/C21H22N.HI/c1-21(2)18-14-8-9-15-19(18)22(3)20(21)16-10-7-13-17-11-5-4-6-12-17;/h4-16H,1-3H3;1H/q+1;/p-1/b13-7+,16-10-;"	CC1(C2=CC=CC=C2[N+](=C1/C=C\\C=C\\C3=CC=CC=C3)C)C.[I-]	QNHIJOBXIQEPFT-TVWRACGGSA-M
DG67517	"3,3-j]-1,2-Benzodioxepin, 10,10'-[(1,2-ethanediyl)bis(oxy)]bis[decahydro-3,6,9-trimethyl-, stereoisomer"	54609039	"NSC-698678; CHEMBL1992949; NSC698678; 3,3-j]-1,2-benzodioxepin, 10,10'-[(1,2-ethanediyl)bis(oxy)]bis[decahydro- 3,6,9-trimethyl-, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698678	.	.	.	.	594.7	C32H50O10	92.3	965	5.9	42	0	10	5	"InChI=1S/C32H50O10/c1-17-7-9-23-19(3)25(35-27-31(23)21(17)11-13-29(5,37-27)39-41-31)33-15-16-34-26-20(4)24-10-8-18(2)22-12-14-30(6)38-28(36-26)32(22,24)42-40-30/h17-28H,7-16H2,1-6H3/t17-,18-,19-,20-,21 ,22 ,23 ,24 ,25+,26+,27 ,28 ,29-,30-,31-,32-/m1/s1"	C[C@@H]1CCC2[C@H]([C@H](OC3[C@@]24C1CC[C@](O3)(OO4)C)OCCO[C@@H]5[C@@H](C6CC[C@H](C7[C@]68C(O5)O[C@@](CC7)(OO8)C)C)C)C	ROQIHFFCAPNSHV-FIEKKSMYSA-N
DG67518	"N-methyl-N-(4-(3-(pyrrolidin-1-yl)propoxy)benzyl)-4-(2,6-trimethylcyclohex-1-enyl)butan-2-amine dioxalate"	54609096	"NSC17652; NSC-17652; N-methyl-N-(4-(3-(pyrrolidin-1-yl)propoxy)benzyl)-4-(2,6-trimethylcyclohex-1-enyl)butan-2-amine dioxalate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17652	.	.	.	.	516.7	C30H48N2O5	90.3	627	.	37	2	7	12	"InChI=1S/C28H46N2O.C2H2O4/c1-23-10-8-17-28(3,4)27(23)16-11-24(2)29(5)22-25-12-14-26(15-13-25)31-21-9-20-30-18-6-7-19-30;3-1(4)2(5)6/h12-15,24H,6-11,16-22H2,1-5H3;(H,3,4)(H,5,6)"	CC1=C(C(CCC1)(C)C)CCC(C)N(C)CC2=CC=C(C=C2)OCCCN3CCCC3.C(=O)(C(=O)O)O	FPVIBLUXSGOIKG-UHFFFAOYSA-N
DG67519	"4-[4-(diethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride"	54609218	NSC33566; NSC-33566	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33566	.	.	.	.	331.9	C19H26ClN3	30.3	333	.	23	2	3	6	"InChI=1S/C19H25N3.ClH/c1-5-22(6-2)18-13-9-16(10-14-18)19(20)15-7-11-17(12-8-15)21(3)4;/h7-14,20H,5-6H2,1-4H3;1H"	CCN(CC)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl	ZQATZGWJGHPQTI-UHFFFAOYSA-N
DG67520	"N,N'-diethyl-N,N'-bis(3-phenoxypropyl)ethane-1,2-diamine;hydrochloride"	54609242	CHEMBL2007381; NSC34060; NSC-34060	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34060	.	.	.	.	421	C24H37ClN2O2	24.9	321	.	29	1	4	15	"InChI=1S/C24H36N2O2.ClH/c1-3-25(17-11-21-27-23-13-7-5-8-14-23)19-20-26(4-2)18-12-22-28-24-15-9-6-10-16-24;/h5-10,13-16H,3-4,11-12,17-22H2,1-2H3;1H"	CCN(CCCOC1=CC=CC=C1)CCN(CC)CCCOC2=CC=CC=C2.Cl	QXEYGJJCGYRKGJ-UHFFFAOYSA-N
DG67521	"Sulfuric acid--N~3~-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N~1~,N~1~-diethylpropane-1,3-diamine (1/1)"	54609285	"5428-81-9; DTXSID00714872; NSC13317; NSC-13317; Sulfuric acid--N~3~-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N~1~,N~1~-diethylpropane-1,3-diamine (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13317	.	.	.	.	480	C23H30ClN3O4S	111	490	.	32	3	7	9	"InChI=1S/C23H28ClN3.H2O4S/c1-3-27(4-2)14-8-13-25-17-19-15-22(18-9-6-5-7-10-18)26-23-16-20(24)11-12-21(19)23;1-5(2,3)4/h5-7,9-12,15-16,25H,3-4,8,13-14,17H2,1-2H3;(H2,1,2,3,4)"	CCN(CC)CCCNCC1=CC(=NC2=C1C=CC(=C2)Cl)C3=CC=CC=C3.OS(=O)(=O)O	OQIPMLRHROGRPE-UHFFFAOYSA-N
DG67522	1-[2-[(2-Methoxyacridin-9-yl)amino]ethylamino]propan-2-ol;hydrochloride	54609322	NSC14073; NSC-14073	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14073	.	.	.	.	361.9	C19H24ClN3O2	66.4	382	.	25	4	5	7	"InChI=1S/C19H23N3O2.ClH/c1-13(23)12-20-9-10-21-19-15-5-3-4-6-17(15)22-18-8-7-14(24-2)11-16(18)19;/h3-8,11,13,20,23H,9-10,12H2,1-2H3,(H,21,22);1H"	CC(CNCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)O.Cl	YXFRMZDXQIXPRL-UHFFFAOYSA-N
DG67523	9-Hydrazinoacridinhydrochlorid	54609366	9-Hydrazinoacridinhydrochlorid; SCHEMBL721053; NSC14977; NSC-14977	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14977	.	.	.	.	245.71	C13H12ClN3	50.9	221	.	17	3	3	1	"InChI=1S/C13H11N3.ClH/c14-16-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1-8H,14H2,(H,15,16);1H"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NN.Cl	VANXQMULYAQKPH-UHFFFAOYSA-N
DG67524	"N',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride"	54609597	NSC81465; NSC-81465	.	.	Investigative Drug(s)	Investigative	Small molecular drug	81465	.	.	.	.	359	C21H43ClN2	6.5	256	.	24	1	2	10	"InChI=1S/C21H42N2.ClH/c1-22(2)16-9-17-23(18-14-20-10-5-3-6-11-20)19-15-21-12-7-4-8-13-21;/h20-21H,3-19H2,1-2H3;1H"	CN(C)CCCN(CCC1CCCCC1)CCC2CCCCC2.Cl	NWHHZAVZYCWFPY-UHFFFAOYSA-N
DG67525	"Iodonium, dimesityl-chloride"	54609598	"Iodonium, dimesityl- chloride; NSC82109; NSC-82109; Iodonium,4,6-trimethylphenyl)-, chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82109	.	.	.	.	401.7	C18H23ClI+	0	235	.	20	1	0	2	"InChI=1S/C18H22I.ClH/c1-11-7-13(3)17(14(4)8-11)19-18-15(5)9-12(2)10-16(18)6;/h7-10H,1-6H3;1H/q+1;"	CC1=CC(=C(C(=C1)C)[I+]C2=C(C=C(C=C2C)C)C)C.Cl	WAKCRSHUCNABAR-UHFFFAOYSA-N
DG67526	"2-Hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindole"	54609620	"6624-16-4; DTXSID50714963; NSC55236; NSC-55236; DS-013310; 2-hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindole; 2-Hexadecyloctahydro-1H-isoindole--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	55236	.	.	.	.	386.1	C24H48ClN	3.2	287	.	26	1	1	15	"InChI=1S/C24H47N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-21-23-18-15-16-19-24(23)22-25;/h23-24H,2-22H2,1H3;1H"	CCCCCCCCCCCCCCCCN1CC2CCCCC2C1.Cl	PQZTYLAUUUKTOE-UHFFFAOYSA-N
DG67527	NSC59220	54609809	"[[5-(5-Fluoro-2, 4-dihydroxyoxolan-2-yl]methoxy-ydroxyphosphoryl] [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate, disodium salt; NSC59220; NSC-59220; [[5-(5-fluoro-2, 4-dihydroxyoxolan-2-yl]methoxy-ydroxyphosphoryl] [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate, disodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	59220	.	.	.	.	607.28	C15H23FN2NaO17P2+	292	1020	.	38	9	18	9	"InChI=1S/C15H23FN2O17P2.Na/c16-4-1-18(15(26)17-12(4)25)13-10(23)8(21)6(32-13)3-31-36(27,28)35-37(29,30)34-14-11(24)9(22)7(20)5(2-19)33-14;/h1,5-11,13-14,19-24H,2-3H2,(H,27,28)(H,29,30)(H,17,25,26);/q;+1"	C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O)F.[Na+]	XMLSDAAWXRPOLP-UHFFFAOYSA-N
DG67528	"2-[(1,3-Dioxoinden-2-ylidene)amino]guanidine;sulfuric acid"	54609874	NSC67925; NSC-67925	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67925	.	.	.	.	314.28	C10H10N4O6S	194	451	.	21	4	8	1	"InChI=1S/C10H8N4O2.H2O4S/c11-10(12)14-13-7-8(15)5-3-1-2-4-6(5)9(7)16;1-5(2,3)4/h1-4H,(H4,11,12,14);(H2,1,2,3,4)"	C1=CC=C2C(=C1)C(=O)C(=NN=C(N)N)C2=O.OS(=O)(=O)O	SOBDEZABSRLUET-UHFFFAOYSA-N
DG67529	"Dichloroallyl lawsone, sodium salt"	54610148	"Dichloroallyl lawsone, sodium salt; NSC136592; NSC-136592; 1, 2-(2,3-dichloroallyl)-3-hydroxy-, sodium salt; 1, 2-(3,3-dichloro-2-propenyl)-3-hydroxy-, sodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136592	.	.	.	.	306.09	C13H8Cl2NaO3+	54.4	447	.	19	1	3	2	"InChI=1S/C13H8Cl2O3.Na/c14-10(15)6-5-9-11(16)7-3-1-2-4-8(7)12(17)13(9)18;/h1-4,6,16H,5H2;/q;+1"	C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CC=C(Cl)Cl)O.[Na+]	IMOJXPUCVYQJCF-UHFFFAOYSA-N
DG67530	"(2E)-2-[(4Z)-5-bromo-2-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-naphthalen-1-ylacetonitrile"	54610169	MLS002920615; CHEMBL1984859; NSC144198; ZINC102900269; NSC-144198	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144198	.	.	.	.	385.6	C18H10BrClN2O	56.4	668	5	23	1	3	1	"InChI=1S/C18H10BrClN2O/c19-16-8-14(17(20)9-18(16)22-23)15(10-21)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,23H/b15-14-,22-18-"	C1=CC=C2C(=C1)C=CC=C2/C(=C\\3/C=C(/C(=N\\O)/C=C3Cl)Br)/C#N	BJDKZONPNOGIEO-MPRWPCGUSA-N
DG67531	"Carbohydrazide, dihydrochloride"	54610180	"Carbohydrazide, dihydrochloride; NSC146377; NSC-146377; Carbonothioic dihydrazide, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	146377	.	.	.	.	231.71	C7H10ClN5S	107	193	.	14	4	4	2	"InChI=1S/C7H9N5S.ClH/c8-11-7(13)12-10-5-6-3-1-2-4-9-6;/h1-5H,8H2,(H2,11,12,13);1H/b10-5+;"	C1=CC=NC(=C1)/C=N/NC(=S)NN.Cl	LIBMQPGFLGOTSF-OAZHBLANSA-N
DG67532	2-[(E)-2-(1H-Indol-3-yl)ethenyl]-1-methylquinolin-1-ium iodide	54610240	76384-48-0; CHEMBL4565331; DTXSID50715132; NSC117185; NSC-117185; 2-[(E)-2-(1H-Indol-3-yl)ethenyl]-1-methylquinolin-1-ium iodide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117185	.	.	.	.	412.3	C20H17IN2	19.7	405	.	23	1	1	2	"InChI=1S/C20H16N2.HI/c1-22-17(12-10-15-6-2-5-9-20(15)22)13-11-16-14-21-19-8-4-3-7-18(16)19;/h2-14H,1H3;1H"	C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CNC4=CC=CC=C43.[I-]	MDMOCSQQUMCIHG-UHFFFAOYSA-N
DG67533	Pubchem_54610326	54610326	57422-09-0; DTXSID90715156; PUBCHEM_54610326; NSC141350; NSC-141350	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141350	.	.	.	.	422.08	C14H15BrIO2+	18.5	184	.	18	1	2	4	"InChI=1S/C14H14IO2.BrH/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12;/h3-10H,1-2H3;1H/q+1;"	COC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)OC.Br	YDSNSDXMWRVLLI-UHFFFAOYSA-N
DG67534	"1,4-Biphenylene-bis(triphenylphosphonium) dibromide"	54610386	"10111-27-0; DTXSID00715162; PUBCHEM_54610386; NSC173778; NSC-173778; 1,4-Biphenylene-bis(triphenylphosphonium) dibromide; Phosphonium,1'-biphenyl]-4,4'-diylbis[triphenyl-, dibromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	173778	.	.	.	.	756.7	C48H38BrP2+	0	797	.	51	0	1	9	"InChI=1S/C48H38P2.BrH/c1-7-19-41(20-8-1)49(42-21-9-2-10-22-42,43-23-11-3-12-24-43)47-35-31-39(32-36-47)40-33-37-48(38-34-40)50(44-25-13-4-14-26-44,45-27-15-5-16-28-45)46-29-17-6-18-30-46;/h1-38H;1H/q+2;/p-1"	C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8.[Br-]	JMDPFOVNHADRDG-UHFFFAOYSA-M
DG67535	"N-[3-(diethylaminomethyl)-4-methoxy-phenyl]-N-(4-dimethylaminocyclohexyl)quinazoline-2,4-diamine"	54610390	"76004-55-2; DTXSID20715164; NSC174030; NSC-174030; DS-002273; N-[3-(diethylaminomethyl)-4-methoxy-phenyl]-N-(4-dimethylaminocyclohexyl)quinazoline-2,4-diamine; N~2~-{3-[(Diethylamino)methyl]-4-methoxyphenyl}-N~4~-[4-(dimethylamino)cyclohexyl]quinazoline-2,4-diamine--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174030	.	.	.	.	513.1	C28H41ClN6O	65.6	608	.	36	3	7	10	"InChI=1S/C28H40N6O.ClH/c1-6-34(7-2)19-20-18-22(14-17-26(20)35-5)30-28-31-25-11-9-8-10-24(25)27(32-28)29-21-12-15-23(16-13-21)33(3)4;/h8-11,14,17-18,21,23H,6-7,12-13,15-16,19H2,1-5H3,(H2,29,30,31,32);1H"	CCN(CC)CC1=C(C=CC(=C1)NC2=NC3=CC=CC=C3C(=N2)NC4CCC(CC4)N(C)C)OC.Cl	IEVSPUOIQJBRLZ-UHFFFAOYSA-N
DG67536	"3,11-Bis(2-chloroethyl)-7,14,15-trithia-3,11-diazadispiro[5.1.58.26]pentadecane;hydrochloride"	54610551	CHEMBL1972180; NSC165757; NSC-165757	.	.	Investigative Drug(s)	Investigative	Small molecular drug	165757	.	.	.	.	423.9	C14H25Cl3N2S3	82.4	311	.	22	1	5	4	InChI=1S/C14H24Cl2N2S3.ClH/c15-5-11-17-7-1-13(2-8-17)19-14(21-20-13)3-9-18(10-4-14)12-6-16;/h1-12H2;1H	C1CN(CCC12SC3(CCN(CC3)CCCl)SS2)CCCl.Cl	DKTFRPYLLUKBMU-UHFFFAOYSA-N
DG67537	NSC218440	54610585	methanesulfonate;4-[(1-methyl-6-nitroquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-2-nitrobenzamide; NSC218440; NSC-218440	.	.	Investigative Drug(s)	Investigative	Small molecular drug	218440	.	.	.	.	646.7	C30H28N7O8S+	218	991	.	46	3	10	6	"InChI=1S/C29H23N7O5.CH4O3S/c1-33-14-11-21(12-15-33)30-19-3-5-20(6-4-19)32-29(37)24-9-7-22(17-28(24)36(40)41)31-26-13-16-34(2)27-10-8-23(35(38)39)18-25(26)27;1-5(2,3)4/h3-18H,1-2H3,(H,32,37);1H3,(H,2,3,4)/p+1"	C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)C)[N+](=O)[O-])[N+](=O)[O-].CS(=O)(=O)[O-]	FAIGLEXIJYWQJJ-UHFFFAOYSA-O
DG67538	Chlorozorubicin hydrochloride	54610692	66996-53-0; Chlorozorubicin hydrochloride; NSC219977; NSC-219977	.	.	Investigative Drug(s)	Investigative	Small molecular drug	219977	.	.	.	.	716.6	C34H35Cl2N3O10	210	1260	.	49	7	12	6	"InChI=1S/C34H34ClN3O10.ClH/c1-14-28(39)20(36)11-23(47-14)48-22-13-34(45,15(2)37-38-33(44)16-7-9-17(35)10-8-16)12-19-25(22)32(43)27-26(30(19)41)29(40)18-5-4-6-21(46-3)24(18)31(27)42;/h4-10,14,20,22-23,28,39,41,43,45H,11-13,36H2,1-3H3,(H,38,44);1H/b37-15+;/t14 ,20 ,22-,23 ,28 ,34-;/m0./s1"	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/NC(=O)C6=CC=C(C=C6)Cl)/C)O)N)O.Cl	TWPKQOAFJZUCMV-FYBMHLGZSA-N
DG67539	NSC244404	54610764	"[(9E,21Z)-28-(1,3-dithiolan-2-yl)-2,29,31-trihydroxy-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-6,25-dioxo-8,16,18,33-tetraoxa-26-azapentacyclo[25.3.1.14,7.115,19.05,30]tritriaconta-1(30),2,4,9,21,23,27(31),28-octaen-13-yl] acetate; NSC244404; NSC-244404"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	244404	.	.	.	.	842	C43H55NO12S2	230	1620	8	58	4	14	4	"InChI=1S/C43H55NO12S2/c1-19-13-12-14-20(2)40(50)44-31-30(41-57-17-18-58-41)33(47)27-28(34(31)48)32(46)22(4)38-29(27)39(49)43(10,56-38)52-16-15-26(51-11)21(3)36(53-25(7)45)24(6)37-23(5)35(19)54-42(8,9)55-37/h12-16,19,21,23-24,26,35-37,41,46-48H,17-18H2,1-11H3,(H,44,50)/b13-12-,16-15+,20-14 "	CC1/C=C\\C=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C/C(C(C(C(C5C(C1OC(O5)(C)C)C)C)OC(=O)C)C)OC)C)C(=C2C6SCCS6)O)O)C	JELTWYVKSXGXBP-ULFHDISVSA-N
DG67540	"Hydrazinecarboximidamide,2'-(9H-fluorene-2,7-diyldiethylidyne)bis(N-methyl-, dihydrochloride"	54610854	"77476-22-3; Hydrazinecarboximidamide,2'-(9H-fluorene-2,7-diyldiethylidyne)bis(N-methyl-, dihydrochloride; Hydrazinecarboximidamide,2'-(9H-fluorene-2,7-diyldiethylidyne)bis[N-methyl-, dihydrochloride; DTXSID40715262; NSC304393; NSC-304393; (2E,2'E)-2,2'-{9H-Fluorene-2,7-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N'-methylhydrazine-1-carboximidamide)--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	304393	.	.	.	.	426.9	C21H27ClN8	126	637	.	30	5	4	6	"InChI=1S/C21H26N8.ClH/c1-12(26-28-20(22)24-3)14-5-7-18-16(9-14)11-17-10-15(6-8-19(17)18)13(2)27-29-21(23)25-4;/h5-10H,11H2,1-4H3,(H3,22,24,28)(H3,23,25,29);1H/b26-12+,27-13+;"	C/C(=N\\NC(=NC)N)/C1=CC2=C(C3=C(C2)C=C(C=C3)/C(=N/NC(=NC)N)/C)C=C1.Cl	ICBFPMCPVJHLFQ-DKXXZCGGSA-N
DG67541	"1-(3,4-Dichlorophenyl)-2-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]guanidine;hydrochloride"	54610863	NSC305761; NSC-305761	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305761	.	.	.	.	458.8	C19H26Cl3N7	91.5	521	.	29	4	5	6	"InChI=1S/C19H25Cl2N7.ClH/c1-3-28-8-4-5-14(11-28)24-17-9-12(2)23-19(26-17)27-18(22)25-13-6-7-15(20)16(21)10-13;/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H4,22,23,24,25,26,27);1H"	CCN1CCCC(C1)NC2=NC(=NC(=C2)C)/N=C(/N)\\NC3=CC(=C(C=C3)Cl)Cl.Cl	GALFBGHJLAHJMD-UHFFFAOYSA-N
DG67542	(E)-4-[(4-methylmorpholin-4-ium-4-yl)methyl]-1-phenylnon-1-en-3-one;bromide	54610962	CHEMBL1983297; NSC322072; NSC-322072	.	.	Investigative Drug(s)	Investigative	Small molecular drug	322072	.	.	.	.	410.4	C21H32BrNO2	26.3	393	.	25	0	3	9	"InChI=1S/C21H32NO2.BrH/c1-3-4-6-11-20(18-22(2)14-16-24-17-15-22)21(23)13-12-19-9-7-5-8-10-19;/h5,7-10,12-13,20H,3-4,6,11,14-18H2,1-2H3;1H/q+1;/p-1/b13-12+;"	CCCCCC(C[N+]1(CCOCC1)C)C(=O)/C=C/C2=CC=CC=C2.[Br-]	WHLZKVDWYJIXOK-UEIGIMKUSA-M
DG67543	"Hydrazinecarboximidamide, 2-[(4-bromophenyl)phenylmethylene]-N-methyl-"	54611030	"81728-01-0; DTXSID10715315; ZINC1572548; NSC320884; NSC-320884; Hydrazinecarboximidamide, 2-[(4-bromophenyl)phenylmethylene]-N-methyl-; (2E)-2-[(4-Bromophenyl)(phenyl)methylidene]-N'-methylhydrazine-1-carboximidamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	320884	.	.	.	.	331.21	C15H15BrN4	62.8	353	3.4	20	2	2	4	"InChI=1S/C15H15BrN4/c1-18-15(17)20-19-14(11-5-3-2-4-6-11)12-7-9-13(16)10-8-12/h2-10H,1H3,(H3,17,18,20)/b19-14+"	CN=C(N)N/N=C(\\C1=CC=CC=C1)/C2=CC=C(C=C2)Br	SOFUQTGDLLAPQE-XMHGGMMESA-N
DG67544	"Methanesulfonic acid--4,4'-[propane-1,3-diyldi(piperidine-4,1-diyl)]bis(7-nitroquinazoline) (1/1)"	54611099	"52791-16-9; DTXSID50715334; NSC343226; NSC-343226; Methanesulfonic acid--4,4'-[propane-1,3-diyldi(piperidine-4,1-diyl)]bis(7-nitroquinazoline) (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	343226	.	.	.	.	652.7	C30H36N8O7S	212	908	.	46	1	13	6	"InChI=1S/C29H32N8O4.CH4O3S/c38-36(39)22-4-6-24-26(16-22)30-18-32-28(24)34-12-8-20(9-13-34)2-1-3-21-10-14-35(15-11-21)29-25-7-5-23(37(40)41)17-27(25)31-19-33-29;1-5(2,3)4/h4-7,16-21H,1-3,8-15H2;1H3,(H,2,3,4)"	CS(=O)(=O)O.C1CN(CCC1CCCC2CCN(CC2)C3=NC=NC4=C3C=CC(=C4)[N+](=O)[O-])C5=NC=NC6=C5C=CC(=C6)[N+](=O)[O-]	SHMMKJAVVNZRMD-UHFFFAOYSA-N
DG67545	"2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one--lambda~2~-stannane (1/1)"	54611128	"7596-77-2; DTXSID40715343; NSC408170; NSC-408170; 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one--lambda~2~-stannane (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	408170	.	.	.	.	477.1	C19H18O7Sn	83.4	546	.	27	1	7	5	"InChI=1S/C19H18O7.Sn/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3;/h5-9,20H,1-4H3;"	COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC.[Sn]	PZKNOJBOSQTJJT-UHFFFAOYSA-N
DG67546	"(2E)-[(4E)-3-Chloro-4-(hydroxyimino)cyclohexa-2,5-dien-1-ylidene](phenyl)acetonitrile"	54611238	"958-67-8; MLS003171572; DTXSID40715368; ZINC5734181; NSC405157; NSC-405157; (2E)-[(4E)-3-Chloro-4-(hydroxyimino)cyclohexa-2,5-dien-1-ylidene](phenyl)acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	405157	.	.	.	.	256.68	C14H9ClN2O	56.4	499	3.3	18	1	3	1	"InChI=1S/C14H9ClN2O/c15-13-8-11(6-7-14(13)17-18)12(9-16)10-4-2-1-3-5-10/h1-8,18H/b12-11-,17-14+"	C1=CC=C(C=C1)/C(=C\\2/C=C/C(=N\\O)/C(=C2)Cl)/C#N	PUGDLVPAXCLGPY-KMAOEOGZSA-N
DG67547	NSC376597	54611271	"4,2-c:4,5-c']dipyrrole-1,3,5,7(2H,6H)-tetrone, 3a,4,4a,7a,8,8a-hexahydro-2,6-bis[(4-methyl-1-piperazinyl)methyl]-, dihydrochloride; CHEMBL1996940; NSC376597; NSC-376597; 4,2-c:4,5-c']dipyrrole-1,3,5,7(2H,6H)-tetrone, 3a,4,4a,7a,8,8a-hexahydro-2,6-bis[(4-methyl-1-piperazinyl)methyl]-, dihydrochloride; 4,2-c:4,5-c']dipyrrole-1,3,5,7(2H,6H)-tetrone, 3a,4,4a,7a,8,8a-hexahydro-2,6-bis[(4-methylpiperazin-1-yl)methyl]-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	376597	.	.	.	.	507	C24H35ClN6O4	87.7	820	.	35	1	8	4	"InChI=1S/C24H34N6O4.ClH/c1-25-5-9-27(10-6-25)13-29-21(31)17-15-3-4-16(18(17)22(29)32)20-19(15)23(33)30(24(20)34)14-28-11-7-26(2)8-12-28;/h3-4,15-20H,5-14H2,1-2H3;1H"	CN1CCN(CC1)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C(=O)N(C5=O)CN6CCN(CC6)C.Cl	SEOQTWFWSQOBRS-UHFFFAOYSA-N
DG67548	18-Crown-6-vanadium(III)trichloride	54611322	NSC632600; 18-Crown-6-vanadium(III)trichloride; NSC-632600	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632600	.	.	.	.	356.76	C12H30ClO6V+5	6	114	.	20	6	1	0	InChI=1S/C12H24O6.ClH.V/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;;/h1-12H2;1H;/p+5	C1C[OH+]CC[OH+]CC[OH+]CC[OH+]CC[OH+]CC[OH+]1.[Cl-].[V]	NHAYJUPKKDCMNI-UHFFFAOYSA-S
DG67549	Upro-PAME	54611345	Upro-PAME; CHEMBL1968090; NSC699121; NSC-699121	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699121	.	.	.	.	348.5	C21H32O4	59.1	576	3.5	25	1	4	3	"InChI=1S/C21H32O4/c1-15-8-6-11-20(3,23)12-7-13-21(4)18(25-21)14-17(10-9-15)16(2)19(22)24-5/h7-8,12,17-18,23H,2,6,9-11,13-14H2,1,3-5H3/b12-7 ,15-8+/t17-,18+,20+,21+/m0/s1"	C/C/1=C\\CC[C@@](C=CC[C@@]2([C@H](O2)C[C@H](CC1)C(=C)C(=O)OC)C)(C)O	HRPMNAKVKOFOIM-FPAJACGVSA-N
DG67550	Emcyt (Pharmacia)	54611422	Emcyt (Pharmacia); NSC702294; NSC-702294	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702294	.	.	.	.	543.4	C23H32Cl2NNaO6P+	96.3	747	.	34	2	6	8	"InChI=1S/C23H32Cl2NO6P.Na/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30;/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30);/q;+1/t18-,19-,20+,21+,23+;/m1./s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl.[Na+]	YAWYFLDJIKIWDH-CUGULWCMSA-N
DG67551	NSC703771	54611444	"1-[[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]methyl]-2,9-dihydropyrido[3,4-b]indol-7-one; CHEMBL2003090; NSC703771; NSC-703771"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703771	.	.	.	.	448.6	C29H28N4O	60.2	1110	3.1	34	3	4	2	"InChI=1S/C29H28N4O/c1-2-17-16-33-12-10-23-20-5-3-4-6-24(20)31-29(23)27(33)14-18(17)13-26-28-22(9-11-30-26)21-8-7-19(34)15-25(21)32-28/h2-9,11,15,18,27,30-32H,10,12-14,16H2,1H3/b17-2-/t18-,27-/m0/s1"	C/C=C\\1/CN2CCC3=C([C@@H]2C[C@@H]1CC4=C5C(=C6C=CC(=O)C=C6N5)C=CN4)NC7=CC=CC=C37	KQQKDNVPESYGBB-JKCZZUPASA-N
DG67552	"2-(2-amino-4,5-dichlorophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride"	54611452	CHEMBL1987828; NSC707817; NSC-707817	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707817	.	.	.	.	420.8	C19H28Cl3N3O	49.6	458	.	26	2	3	4	"InChI=1S/C19H27Cl2N3O.ClH/c1-23(17-6-2-3-7-18(17)24-8-4-5-9-24)19(25)11-13-10-14(20)15(21)12-16(13)22;/h10,12,17-18H,2-9,11,22H2,1H3;1H/t17 ,18-;/m0./s1"	CN(C1CCCC[C@@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3N)Cl)Cl.Cl	UQRWYWBTGGCIOA-SZOUEMSFSA-N
DG67553	"3-(3,4-dichlorophenyl)-1-methyl-1-[(2S)-2-pyrrolidin-1-ylcyclohexyl]urea;hydrochloride"	54611453	CHEMBL1971035; NSC707819; NSC-707819	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707819	.	.	.	.	406.8	C18H26Cl3N3O	35.6	431	.	25	2	2	3	"InChI=1S/C18H25Cl2N3O.ClH/c1-22(18(24)21-13-8-9-14(19)15(20)12-13)16-6-2-3-7-17(16)23-10-4-5-11-23;/h8-9,12,16-17H,2-7,10-11H2,1H3,(H,21,24);1H/t16 ,17-;/m0./s1"	CN(C1CCCC[C@@H]1N2CCCC2)C(=O)NC3=CC(=C(C=C3)Cl)Cl.Cl	BJFHKFVYIXLNAB-KRNWZFANSA-N
DG67554	benzyl N-[(1R)-2-[methyl-(2-pyrrolidin-1-ylcyclohexyl)amino]-2-oxo-1-phenylethyl]carbamate;hydrochloride	54611454	CHEMBL1990224; NSC707820; NSC-707820	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707820	.	.	.	.	486	C27H36ClN3O3	61.9	624	.	34	2	4	8	"InChI=1S/C27H35N3O3.ClH/c1-29(23-16-8-9-17-24(23)30-18-10-11-19-30)26(31)25(22-14-6-3-7-15-22)28-27(32)33-20-21-12-4-2-5-13-21;/h2-7,12-15,23-25H,8-11,16-20H2,1H3,(H,28,32);1H/t23 ,24 ,25-;/m1./s1"	CN(C1CCCCC1N2CCCC2)C(=O)[C@@H](C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4.Cl	GXGMJPLLEGIVFP-CIEVTQHJSA-N
DG67555	NSC733624	54611458	"3B-O-{3-O-methyl-B-D-glucopyranosyl (1-->3)-O-B-D-xylopyrano syl(1-->4)-O-[B-D-xylopyranosyl(1-->2)]-O-B-D-quinovopyranos yl(1-->2)-O-B-D-4-sulfonatoxylopyranosyl}-16B-acetoxy-holost-7-ene, sodium salt; NSC733624; NSC-733624; 3B-O-{3-O-methyl-B-D-glucopyranosyl (1-->3)-O-B-D-xylopyrano syl(1-->4)-O-[B-D-xylopyranosyl(1-->2)]-O-B-D-quinovopyranos yl(1-->2)-O-B-D-4-sulfonatoxylopyranosyl}-16B-acetoxy-holost-7-ene, sodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733624	.	.	.	.	1336.4	C60H96NaO29S+	428	2660	.	91	11	29	20	"InChI=1S/C60H96O29S.Na/c1-25(2)12-11-17-59(9)49-32(81-27(4)62)20-58(8)29-13-14-35-56(5,6)36(16-18-57(35,7)28(29)15-19-60(49,58)55(72)88-59)83-53-47(39(67)34(24-79-53)89-90(73,74)75)87-54-48(86-50-40(68)37(65)30(63)22-77-50)41(69)44(26(3)80-54)84-51-42(70)45(31(64)23-78-51)85-52-43(71)46(76-10)38(66)33(21-61)82-52;/h13,25-26,28,30-54,61,63-71H,11-12,14-24H2,1-10H3,(H,73,74,75);/q;+1/t26 ,28-,30 ,31 ,32+,33 ,34 ,35 ,36+,37 ,38 ,39 ,40 ,41 ,42 ,43 ,44 ,45 ,46 ,47 ,48 ,49-,50 ,51 ,52 ,53 ,54 ,57-,58+,59+,60 ;/m1./s1"	CC1C(C(C(C(O1)OC2C(C(COC2O[C@H]3CC[C@@]4([C@@H]5CCC67[C@H]([C@H](C[C@]6(C5=CCC4C3(C)C)C)OC(=O)C)[C@](OC7=O)(C)CCCC(C)C)C)OS(=O)(=O)O)O)OC8C(C(C(CO8)O)O)O)O)OC9C(C(C(CO9)O)OC1C(C(C(C(O1)CO)O)OC)O)O.[Na+]	JVAXTYZSDXFKMH-ULZSMZNOSA-N
DG67556	"(5Z)-5-[[4-[(2R)-4-aminobutan-2-yl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one"	54611460	CHEMBL1987386; NSC704376; NSC-704376	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704376	.	.	.	.	301.4	C18H27N3O	70.9	495	2.1	22	3	2	5	"InChI=1S/C18H27N3O/c1-6-14-11(3)18(22)21-16(14)9-15-12(4)17(13(5)20-15)10(2)7-8-19/h9-10,20H,6-8,19H2,1-5H3,(H,21,22)/b16-9-/t10-/m1/s1"	CCC\\1=C(C(=O)N/C1=C\\C2=C(C(=C(N2)C)[C@H](C)CCN)C)C	LSCRFBMSUXHYTH-MQHRVFIMSA-N
DG67557	"(Z)-2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile"	54611462	CHEMBL1965139; ZINC6004909; NSC704318; NSC-704318	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704318	.	.	.	.	444.4	C22H20N8O3	163	851	2.9	33	1	10	4	"InChI=1S/C22H20N8O3/c1-13-11-22(2,3)29(28-13)21-26-19(25-20(24)27-21)15(12-23)10-17-8-9-18(33-17)14-4-6-16(7-5-14)30(31)32/h4-10H,11H2,1-3H3,(H2,24,25,26,27)/b15-10-"	CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)/C(=C\\C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])/C#N	QBNOYWRFYWQWHX-GDNBJRDFSA-N
DG67558	"(Z)-2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile"	54611463	CHEMBL1972076; NSC704322; NSC-704322	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704322	.	.	.	.	378.4	C18H18N8O2	150	719	2.1	28	1	9	3	"InChI=1S/C18H18N8O2/c1-11-9-18(2,3)25(24-11)17-22-15(21-16(20)23-17)13(10-19)7-12-5-4-6-14(8-12)26(27)28/h4-8H,9H2,1-3H3,(H2,20,21,22,23)/b13-7-"	CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)/C(=C\\C3=CC(=CC=C3)[N+](=O)[O-])/C#N	YOXQKKXNIRDKNX-QPEQYQDCSA-N
DG67559	"(Z)-2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enenitrile"	54611464	CHEMBL2002755; NSC704317; NSC-704317	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704317	.	.	.	.	384.4	C16H16N8O2S	178	709	2.2	27	1	10	3	"InChI=1S/C16H16N8O2S/c1-9-7-16(2,3)23(22-9)15-20-13(19-14(18)21-15)10(8-17)6-11-4-5-12(27-11)24(25)26/h4-6H,7H2,1-3H3,(H2,18,19,20,21)/b10-6-"	CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)/C(=C\\C3=CC=C(S3)[N+](=O)[O-])/C#N	RWVZBXAFTQJQIA-POHAHGRESA-N
DG67560	"2-(4,5-dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride"	54611471	CHEMBL1966061; NSC707825; NSC-707825	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707825	.	.	.	.	462.9	C20H26Cl3N3OS	68	565	.	28	1	4	5	"InChI=1S/C20H25Cl2N3OS.ClH/c1-24(18-6-2-3-7-19(18)25-8-4-5-9-25)20(26)11-14-10-15(21)16(22)12-17(14)23-13-27;/h10,12,18-19H,2-9,11H2,1H3;1H/t18-,19-;/m0./s1"	CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3N=C=S)Cl)Cl.Cl	AVMOGIGMTJJPBN-HLRBRJAUSA-N
DG67561	"(E)-1-(4-methoxyphenyl)-N-[2-[(E)-(4-methoxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methanimine"	54611474	CHEMBL1996008; NSC708410; NSC-708410	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708410	.	.	.	.	458.6	C24H18N4O2S2	125	608	6	32	0	8	6	"InChI=1S/C24H18N4O2S2/c1-29-17-7-3-15(4-8-17)13-25-23-27-19-11-22-20(12-21(19)31-23)28-24(32-22)26-14-16-5-9-18(30-2)10-6-16/h3-14H,1-2H3/b25-13+,26-14+"	COC1=CC=C(C=C1)/C=N/C2=NC3=CC4=C(C=C3S2)N=C(S4)/N=C/C5=CC=C(C=C5)OC	VJQGILXUPVSKNF-BKHCZYBLSA-N
DG67562	"(E)-N-[2-[(E)-benzylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1-phenylmethanimine"	54611475	CHEMBL1982756; NSC708411; NSC-708411	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708411	.	.	.	.	398.5	C22H14N4S2	107	521	6.1	28	0	6	4	"InChI=1S/C22H14N4S2/c1-3-7-15(8-4-1)13-23-21-25-17-11-20-18(12-19(17)27-21)26-22(28-20)24-14-16-9-5-2-6-10-16/h1-14H/b23-13+,24-14+"	C1=CC=C(C=C1)/C=N/C2=NC3=CC4=C(C=C3S2)N=C(S4)/N=C/C5=CC=CC=C5	ILIZUSQBZQKXDN-RNIAWFEPSA-N
DG67563	NSC706420	54611479	"3-[(4-chlorophenyl)methyl]-4-[(E)-[4-[(Z)-[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl]methylideneamino]-1H-1,2,4-triazol-5-one; CHEMBL1978884; NSC706420; NSC-706420"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706420	.	.	.	.	547.4	C26H20Cl2N8O2	114	900	4.5	38	2	6	8	"InChI=1S/C26H20Cl2N8O2/c27-21-9-5-17(6-10-21)13-23-31-33-25(37)35(23)29-15-19-1-2-20(4-3-19)16-30-36-24(32-34-26(36)38)14-18-7-11-22(28)12-8-18/h1-12,15-16H,13-14H2,(H,33,37)(H,34,38)/b29-15-,30-16+"	C1=CC(=CC=C1CC2=NNC(=O)N2/N=C/C3=CC=C(C=C3)/C=N\\N4C(=NNC4=O)CC5=CC=C(C=C5)Cl)Cl	LXKIWHMEXCVGPA-CBTGBURPSA-N
DG67564	"(E,E)-3-phenyl-N-[2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]prop-2-en-1-imine"	54611483	CHEMBL1993463; NSC708413; NSC-708413	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708413	.	.	.	.	450.6	C26H18N4S2	107	649	7	32	0	6	6	"InChI=1S/C26H18N4S2/c1-3-9-19(10-4-1)13-7-15-27-25-29-21-17-24-22(18-23(21)31-25)30-26(32-24)28-16-8-14-20-11-5-2-6-12-20/h1-18H/b13-7+,14-8+,27-15+,28-16+"	C1=CC=C(C=C1)/C=C/C=N/C2=NC3=CC4=C(C=C3S2)N=C(S4)/N=C/C=C/C5=CC=CC=C5	SYYDSYLPBWHQQQ-UWSNULGSSA-N
DG67565	NSC708416	54611485	"4-[(E)-[2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]-N,N-dimethylaniline; CHEMBL1975700; NSC708416; NSC-708416"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708416	.	.	.	.	484.6	C26H24N6S2	114	654	6.3	34	0	8	6	"InChI=1S/C26H24N6S2/c1-31(2)19-9-5-17(6-10-19)15-27-25-29-21-13-24-22(14-23(21)33-25)30-26(34-24)28-16-18-7-11-20(12-8-18)32(3)4/h5-16H,1-4H3/b27-15+,28-16+"	CN(C)C1=CC=C(C=C1)/C=N/C2=NC3=CC4=C(C=C3S2)N=C(S4)/N=C/C5=CC=C(C=C5)N(C)C	ITMNAGYYBOLCJY-DPCVLPDWSA-N
DG67566	"(E)-1-thiophen-2-yl-N-[2-[(E)-thiophen-2-ylmethylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methanimine"	54611488	CHEMBL2002409; NSC708412; NSC-708412	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708412	.	.	.	.	410.6	C18H10N4S4	164	511	6.1	26	0	8	4	"InChI=1S/C18H10N4S4/c1-3-11(23-5-1)9-19-17-21-13-7-16-14(8-15(13)25-17)22-18(26-16)20-10-12-4-2-6-24-12/h1-10H/b19-9+,20-10+"	C1=CSC(=C1)/C=N/C2=NC3=CC4=C(C=C3S2)N=C(S4)/N=C/C5=CC=CS5	NDNKFNPDNUOMQH-LQGKIZFRSA-N
DG67567	NSC707389	54611489	"(1S,3S,6S,9S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one;methanesulfonic acid; NSC707389"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707389	.	.	.	.	826	C41H63NO14S	209	1470	.	57	3	15	4	"InChI=1S/C40H59NO11.CH4O3S/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41;1-5(2,3)4/h19,23-39,43H,2-3,5-18,41H2,1,4H3;1H3,(H,2,3,4)/t19-,23+,24 ,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+;/m1./s1"	C[C@@H]1CC2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@@H](CN)O.CS(=O)(=O)O	QAMYWGZHLCQOOJ-YALCGNLISA-N
DG67568	"[(1R,11S,12S)-11-(3,4,5-trimethoxyphenyl)-5,7,14-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-trien-15-yl]methanol"	54611494	NSC708409; NSC-708409	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708409	.	.	.	.	400.4	C22H24O7	75.6	559	2.4	29	1	7	5	"InChI=1S/C22H24O7/c1-24-18-4-11(5-19(25-2)22(18)26-3)20-12-6-16-17(29-10-28-16)7-13(12)21-14(8-23)15(20)9-27-21/h4-7,14-15,20-21,23H,8-10H2,1-3H3/t14 ,15-,20+,21+/m1/s1"	COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@@H]3CO[C@H](C3CO)C4=CC5=C(C=C24)OCO5	GAPFRQMOPFLDIS-ZSOWPOMHSA-N
DG67569	"(2E,4E)-5-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dien-1-one"	54611498	CHEMBL1964938; NSC707563; NSC-707563	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707563	.	.	.	.	288.4	C21H20O	17.1	414	5.7	22	0	1	4	"InChI=1S/C21H20O/c22-21(13-7-4-10-17-8-2-1-3-9-17)20-15-14-18-11-5-6-12-19(18)16-20/h1-4,7-10,13-16H,5-6,11-12H2/b10-4+,13-7+"	C1CCC2=C(C1)C=CC(=C2)C(=O)/C=C/C=C/C3=CC=CC=C3	ZYWFERUFZOBVOX-GODDPXKCSA-N
DG67570	"N'-[1-(1-benzothiophen-2-yl)cyclohexyl]-N-methylpropane-1,3-diamine;(E)-but-2-enedioic acid"	54611499	CHEMBL1998770; NSC708074; NSC-708074	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708074	.	.	.	.	418.6	C22H30N2O4S	127	433	.	29	4	7	8	"InChI=1S/C18H26N2S.C4H4O4/c1-19-12-7-13-20-18(10-5-2-6-11-18)17-14-15-8-3-4-9-16(15)21-17;5-3(6)1-2-4(7)8/h3-4,8-9,14,19-20H,2,5-7,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+"	CNCCCNC1(CCCCC1)C2=CC3=CC=CC=C3S2.C(=C/C(=O)O)\\C(=O)O	HIHUVUVMNANRQK-WLHGVMLRSA-N
DG67571	"(E)-but-2-enedioic acid;2-(2,4-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide"	54611514	CHEMBL1994345; NSC708987; NSC-708987	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708987	.	.	.	.	485.4	C23H30Cl2N2O5	98.2	547	.	32	2	6	6	"InChI=1S/C19H26Cl2N2O.C4H4O4/c1-22(19(24)12-14-8-9-15(20)13-16(14)21)17-6-2-3-7-18(17)23-10-4-5-11-23;5-3(6)1-2-4(7)8/h8-9,13,17-18H,2-7,10-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t17-,18+;/m1./s1"	CN([C@@H]1CCCC[C@@H]1N2CCCC2)C(=O)CC3=C(C=C(C=C3)Cl)Cl.C(=C/C(=O)O)\\C(=O)O	RSGMYCIRDPBWHR-WPJKWKJRSA-N
DG67572	"2-acetyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5-phenyl-1,2,4-triazol-3-one"	54611520	CHEMBL1980522; NSC709357; NSC-709357	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709357	.	.	.	.	341.28	C15H11N5O5	124	622	2.2	25	0	7	3	"InChI=1S/C15H11N5O5/c1-10(21)18-15(22)19(14(17-18)11-5-3-2-4-6-11)16-9-12-7-8-13(25-12)20(23)24/h2-9H,1H3/b16-9+"	CC(=O)N1C(=O)N(C(=N1)C2=CC=CC=C2)/N=C/C3=CC=C(O3)[N+](=O)[O-]	GWMZOONGOAXEDY-CXUHLZMHSA-N
DG67573	(E)-but-2-enedioic acid;N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide	54611530	CHEMBL1972517; NSC707456; NSC-707456	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707456	.	.	.	.	372.42	C16H28N4O6	139	325	.	26	4	8	10	"InChI=1S/C12H24N4O2.C4H4O4/c17-11-13-3-1-5-15-7-9-16(10-8-15)6-2-4-14-12-18;5-3(6)1-2-4(7)8/h11-12H,1-10H2,(H,13,17)(H,14,18);1-2H,(H,5,6)(H,7,8)/b;2-1+"	C1CN(CCN1CCCNC=O)CCCNC=O.C(=C/C(=O)O)\\C(=O)O	TVJHLIMFSDGSGH-WLHGVMLRSA-N
DG67574	"2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]ethanethioamide;hydrochloride"	54611531	CHEMBL1981335; NSC707461; NSC-707461	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707461	.	.	.	.	421.9	C19H27Cl3N2S	38.6	428	.	25	1	2	4	"InChI=1S/C19H26Cl2N2S.ClH/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23;/h8-9,12,17-18H,2-7,10-11,13H2,1H3;1H/t17 ,18-;/m0./s1"	CN(C1CCCC[C@@H]1N2CCCC2)C(=S)CC3=CC(=C(C=C3)Cl)Cl.Cl	VLSQZMVJUCHVGG-SZOUEMSFSA-N
DG67575	NSC707465	54611534	"2-Butenoic acid,5-dichloro-2-[[[[2-(1-pyrrolidinyl)cyclohexyl] (methyl)amino]carbonyl]methyl]phenyl]amino]-4-oxo-, methyl ester, (1S,2S)-; CHEMBL1980883; NSC707465; NSC-707465; 2-Butenoic acid,5-dichloro-2-[[[[2-(1-pyrrolidinyl)cyclohexyl] (methyl)amino]carbonyl]methyl]phenyl]amino]-4-oxo-, methyl ester, (1S,2S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707465	.	.	.	.	496.4	C24H31Cl2N3O4	79	729	3.7	33	1	5	8	"InChI=1S/C24H31Cl2N3O4/c1-28(20-7-3-4-8-21(20)29-11-5-6-12-29)23(31)14-16-13-17(25)18(26)15-19(16)27-22(30)9-10-24(32)33-2/h9-10,13,15,20-21H,3-8,11-12,14H2,1-2H3,(H,27,30)/b10-9+/t20-,21-/m0/s1"	CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3NC(=O)/C=C/C(=O)OC)Cl)Cl	MGGNZLVJNLLKFH-FUCIWNSQSA-N
DG67576	NSC709849	54611538	"17-[(3S)-3-aminopyrrolidin-1-yl]-18-fluoro-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxylic acid;hydrochloride; CHEMBL1990872; NSC709849; NSC-709849"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709849	.	.	.	.	507.9	C26H19ClFN3O5	109	946	.	36	3	9	2	"InChI=1S/C26H18FN3O5.ClH/c27-17-7-15-22-25(23(17)29-6-5-12(28)10-29)35-21-8-14-13-3-1-2-4-19(13)34-20(14)9-18(21)30(22)11-16(24(15)31)26(32)33;/h1-4,7-9,11-12H,5-6,10,28H2,(H,32,33);1H/t12-;/m0./s1"	C1CN(C[C@H]1N)C2=C(C=C3C4=C2OC5=C(N4C=C(C3=O)C(=O)O)C=C6C(=C5)C7=CC=CC=C7O6)F.Cl	HATGBBIJRKGBRW-YDALLXLXSA-N
DG67577	"(2E,4E)-1-(3,5-ditert-butyl-4-hydroxyphenyl)-5-phenylpenta-2,4-dien-1-one"	54611541	CHEMBL1974212; NSC709096; NSC-709096	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709096	.	.	.	.	362.5	C25H30O2	37.3	514	7.3	27	1	2	6	"InChI=1S/C25H30O2/c1-24(2,3)20-16-19(17-21(23(20)27)25(4,5)6)22(26)15-11-10-14-18-12-8-7-9-13-18/h7-17,27H,1-6H3/b14-10+,15-11+"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)/C=C/C=C/C2=CC=CC=C2	FUQYXHNKZYPNRC-WFYKWJGLSA-N
DG67578	"(2S)-2-amino-N-[4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]propanamide;hydrochloride"	54611546	CHEMBL1991296; NSC709924; NSC-709924	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709924	.	.	.	.	365.9	C17H17ClFN3OS	96.2	438	.	24	3	5	3	"InChI=1S/C17H16FN3OS.ClH/c1-9-7-11(3-5-13(9)20-16(22)10(2)19)17-21-14-6-4-12(18)8-15(14)23-17;/h3-8,10H,19H2,1-2H3,(H,20,22);1H/t10-;/m0./s1"	CC1=C(C=CC(=C1)C2=NC3=C(S2)C=C(C=C3)F)NC(=O)[C@H](C)N.Cl	IBPMBMPCCBMOEJ-PPHPATTJSA-N
DG67579	Isostrychnopentamine A trihydrochloride	54611556	CHEMBL1972429; NSC717224; Isostrychnopentamine A trihydrochloride; NSC-717224	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717224	.	.	.	.	586.2	C35H44ClN5O	61.5	961	.	42	4	4	4	"InChI=1S/C35H43N5O.ClH/c1-4-21-20-40-17-14-26-24-11-12-31(41)32(28-10-7-15-38(28)2)35(24)37-34(26)30(40)19-22(21)18-29-33-25(13-16-39(29)3)23-8-5-6-9-27(23)36-33;/h4-6,8-9,11-12,21-22,28-30,36-37,41H,1,7,10,13-20H2,2-3H3;1H/t21-,22-,28-,29-,30-;/m0./s1"	CN1CCC[C@H]1C2=C(C=CC3=C2NC4=C3CCN5[C@H]4C[C@@H]([C@H](C5)C=C)C[C@H]6C7=C(CCN6C)C8=CC=CC=C8N7)O.Cl	PPWHMKHGMBSUBI-ZMTMPHPOSA-N
DG67580	"Bis(2-hydroxybenzal)acetone, disodium pentahydrate salt"	54611557	"NSC722216; NSC-722216; 1,4-pentadiene-3-one, disodium pentahydrate salt; Bis(2-hydroxybenzal)acetone, disodium pentahydrate salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722216	.	.	.	.	289.28	C17H14NaO3+	57.5	338	.	21	2	3	4	"InChI=1S/C17H14O3.Na/c18-15(11-9-13-5-1-3-7-16(13)19)12-10-14-6-2-4-8-17(14)20;/h1-12,19-20H;/q;+1/b11-9+,12-10+;"	C1=CC=C(C(=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2O)O.[Na+]	ABUIJEVGXRLMOW-NVUWAARKSA-N
DG67581	Varacin trifluoroacetate salt	54611558	Varacin trifluoroacetate salt; NSC722218; NSC-722218	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722218	.	.	.	.	453.6	C12H14F3NO4S5	208	344	.	25	2	13	4	"InChI=1S/C10H13NO2S5.C2HF3O2/c1-12-7-5-6(3-4-11)9-10(8(7)13-2)15-17-18-16-14-9;3-2(4,5)1(6)7/h5H,3-4,11H2,1-2H3;(H,6,7)"	COC1=C(C2=C(C(=C1)CCN)SSSSS2)OC.C(=O)(C(F)(F)F)O	CRUVPMFSXZVGCK-UHFFFAOYSA-N
DG67582	NSC719152	54611645	"2-[3-chloro-4-[2-[(2E)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]-N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide; CHEMBL1992063; NSC719152; NSC-719152"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719152	.	.	.	.	734.8	C32H21Cl5N4O6	128	1090	9.1	47	2	8	12	"InChI=1S/C32H21Cl5N4O6/c33-18-1-6-23(25(35)11-18)28-8-4-21(46-28)14-38-40-31(42)16-44-20-3-10-30(27(37)13-20)45-17-32(43)41-39-15-22-5-9-29(47-22)24-7-2-19(34)12-26(24)36/h1-15H,16-17H2,(H,40,42)(H,41,43)/b38-14+,39-15+"	C1=CC(=C(C=C1OCC(=O)N/N=C/C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)Cl)OCC(=O)N/N=C/C4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl	VTQTYTZPRKMVBO-QGZAGHSOSA-N
DG67583	"(1S,3R,5R,7Z,9R,13R,15R)-9-hydroxy-5,9,13-trimethyl-18-methylidene-4,16-dioxatricyclo[13.3.0.03,5]octadec-7-ene-14,17-dione"	54611651	CHEMBL1995415; NSC721052; NSC-721052	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721052	.	.	.	.	348.4	C20H28O5	76.1	624	2.5	25	1	5	0	"InChI=1S/C20H28O5/c1-12-7-5-8-19(3,23)9-6-10-20(4)15(25-20)11-14-13(2)18(22)24-17(14)16(12)21/h6,9,12,14-15,17,23H,2,5,7-8,10-11H2,1,3-4H3/b9-6-/t12-,14+,15-,17-,19-,20-/m1/s1"	C[C@@H]1CCC[C@@](/C=C\\C[C@@]2([C@H](O2)C[C@@H]3[C@H](C1=O)OC(=O)C3=C)C)(C)O	UBWCCSDCQXXMNN-SPPSWNQRSA-N
DG67584	"(3S,4aS)-1-methyl-3-(2-oxoazepan-1-yl)-4,4a-dihydro-3H-benzo[g]isochromene-5,10-dione"	54611662	CHEMBL1968901; NSC722391; NSC-722391	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722391	.	.	.	.	339.4	C20H21NO4	63.7	638	2.3	25	0	4	1	"InChI=1S/C20H21NO4/c1-12-18-15(19(23)13-7-4-5-8-14(13)20(18)24)11-17(25-12)21-10-6-2-3-9-16(21)22/h4-5,7-8,15,17H,2-3,6,9-11H2,1H3/t15-,17-/m0/s1"	CC1=C2[C@H](C[C@H](O1)N3CCCCCC3=O)C(=O)C4=CC=CC=C4C2=O	RXRDFYUMBDLZGP-RDJZCZTQSA-N
DG67585	"(11R,15S,17S)-17-methyl-14,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9-dione"	54611663	CHEMBL1973751; NSC722392; NSC-722392	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722392	.	.	.	.	270.28	C16H14O4	52.6	507	1.5	20	0	4	0	"InChI=1S/C16H14O4/c1-8-12-13(11-6-7-19-16(11)20-8)15(18)10-5-3-2-4-9(10)14(12)17/h2-5,8,11,16H,6-7H2,1H3/t8-,11+,16-/m0/s1"	C[C@H]1C2=C([C@H]3CCO[C@H]3O1)C(=O)C4=CC=CC=C4C2=O	LRTQSQVCOFGTEF-XLNKKQEUSA-N
DG67586	"(10S,11R,15S)-17-methyl-14,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3,5,7-tetraene-2,9-dione"	54611664	CHEMBL1988443; NSC722394; NSC-722394	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722394	.	.	.	.	270.28	C16H14O4	52.6	507	2	20	0	4	0	"InChI=1S/C16H14O4/c1-8-12-13(11-6-7-19-16(11)20-8)15(18)10-5-3-2-4-9(10)14(12)17/h2-5,11,13,16H,6-7H2,1H3/t11-,13+,16+/m1/s1"	CC1=C2[C@H]([C@H]3CCO[C@H]3O1)C(=O)C4=CC=CC=C4C2=O	GNAKOCUQEFTIJE-FFSVYQOJSA-N
DG67587	potassium;N-(2-chlorophenyl)-1-(4-dithiocarboxyoxy-3-methoxyphenyl)methanimine oxide	54611676	NSC717874; NSC-717874	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717874	.	.	.	.	392.9	C15H12ClKNO3S2+	80.3	428	.	23	1	5	5	"InChI=1S/C15H12ClNO3S2.K/c1-19-14-8-10(6-7-13(14)20-15(21)22)9-17(18)12-5-3-2-4-11(12)16;/h2-9H,1H3,(H,21,22);/q;+1/b17-9-;"	COC1=C(C=CC(=C1)/C=[N+](/C2=CC=CC=C2Cl)\\[O-])OC(=S)S.[K+]	RAJBFVHNPHHZMX-WPTDRQDKSA-N
DG67588	potassium;1-(4-dithiocarboxyoxy-3-methoxyphenyl)-N-(4-methoxyphenyl)methanimine oxide	54611677	NSC717875; NSC-717875	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717875	.	.	.	.	388.5	C16H15KNO4S2+	89.5	430	.	24	1	6	6	"InChI=1S/C16H15NO4S2.K/c1-19-13-6-4-12(5-7-13)17(18)10-11-3-8-14(21-16(22)23)15(9-11)20-2;/h3-10H,1-2H3,(H,22,23);/q;+1/b17-10-;"	COC1=CC=C(C=C1)/[N+](=C/C2=CC(=C(C=C2)OC(=S)S)OC)/[O-].[K+]	YNVJACCIVSGEQC-HVHKRRFMSA-N
DG67589	[(Z)-[2-[[6-[[2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]thiourea	54611756	NSC715648; NSC-715648	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715648	.	.	.	.	493.6	C23H23N7O2S2	196	653	2.4	34	4	7	10	"InChI=1S/C23H23N7O2S2/c24-22(33)29-26-12-16-6-1-3-10-20(16)31-14-18-8-5-9-19(28-18)15-32-21-11-4-2-7-17(21)13-27-30-23(25)34/h1-13H,14-15H2,(H3,24,29,33)(H3,25,30,34)/b26-12-,27-13-"	C1=CC=C(C(=C1)/C=N\\NC(=S)N)OCC2=NC(=CC=C2)COC3=CC=CC=C3/C=N\\NC(=S)N	ZZAUGKCEPFFRMA-KTDSDSLMSA-N
DG67590	"4-[[(1R,5R,9R,10S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]cyclohexan-1-ol"	54611790	NSC716242; NSC-716242	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716242	.	.	.	.	382.5	C21H34O6	66.4	563	3.7	27	1	6	2	"InChI=1S/C21H34O6/c1-12-4-9-17-13(2)18(23-15-7-5-14(22)6-8-15)24-19-21(17)16(12)10-11-20(3,25-19)26-27-21/h12-19,22H,4-11H2,1-3H3/t12-,13-,14 ,15 ,16 ,17 ,18+,19 ,20-,21-/m1/s1"	C[C@@H]1CCC2[C@H]([C@H](OC3[C@@]24C1CC[C@](O3)(OO4)C)OC5CCC(CC5)O)C	BDVPLUOVTKCZSI-UNVWAPBTSA-N
DG67591	potassium;N-(4-chlorophenyl)-1-(2-dithiocarboxyoxyphenyl)methanimine oxide	54611817	NSC715119; NSC-715119	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715119	.	.	.	.	362.9	C14H10ClKNO2S2+	71.1	376	.	21	1	4	4	"InChI=1S/C14H10ClNO2S2.K/c15-11-5-7-12(8-6-11)16(17)9-10-3-1-2-4-13(10)18-14(19)20;/h1-9H,(H,19,20);/q;+1/b16-9-;"	C1=CC=C(C(=C1)/C=[N+](/C2=CC=C(C=C2)Cl)\\[O-])OC(=S)S.[K+]	CAJJGJRKEFTIMZ-LFMIJCLESA-N
DG67592	"(5E,6Z)-5,6-bis[(6-bromoquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4-tetrol"	54611940	CHEMBL1976841; NSC716030; NSC-716030	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716030	.	.	.	.	620.3	C22H20Br2N8O4	181	768	3.2	36	6	12	9	"InChI=1S/C22H20Br2N8O4/c23-11-1-3-15-13(5-11)21(27-9-25-15)31-29-7-17(19(35)20(36)18(34)8-33)30-32-22-14-6-12(24)2-4-16(14)26-10-28-22/h1-7,9-10,18-20,33-36H,8H2,(H,25,27,31)(H,26,28,32)/b29-7-,30-17+"	C1=CC2=C(C=C1Br)C(=NC=N2)N/N=C\\C(=N/NC3=NC=NC4=C3C=C(C=C4)Br)\\C(C(C(CO)O)O)O	NEGAWDLFWMRJPK-NMVYXVHHSA-N
DG67593	NSC716790	54611948	"[(E,1S)-1-[(3aR,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate; CHEMBL1978635; NSC716790; NSC-716790"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716790	.	.	.	.	576.7	C36H37N2O3P	49.8	890	7.8	42	0	5	10	"InChI=1S/C36H37N2O3P/c39-36(32-21-11-4-12-22-32)41-35(26-25-29-15-5-1-6-16-29)42(40)37(27-30-17-7-2-8-18-30)33-23-13-14-24-34(33)38(42)28-31-19-9-3-10-20-31/h1-12,15-22,25-26,33-35H,13-14,23-24,27-28H2/b26-25+/t33-,34-,35+/m1/s1"	C1CC[C@@H]2[C@@H](C1)N(P(=O)(N2CC3=CC=CC=C3)[C@@H](/C=C/C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)CC6=CC=CC=C6	MCZXWZWFFDMLMP-DQMOSSGASA-N
DG67594	NSC716791	54611949	"[(E,1R)-1-[(3aR,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate; CHEMBL1976528; NSC716791; NSC-716791"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716791	.	.	.	.	576.7	C36H37N2O3P	49.8	890	7.8	42	0	5	10	"InChI=1S/C36H37N2O3P/c39-36(32-21-11-4-12-22-32)41-35(26-25-29-15-5-1-6-16-29)42(40)37(27-30-17-7-2-8-18-30)33-23-13-14-24-34(33)38(42)28-31-19-9-3-10-20-31/h1-12,15-22,25-26,33-35H,13-14,23-24,27-28H2/b26-25+/t33-,34-,35-/m1/s1"	C1CC[C@@H]2[C@@H](C1)N(P(=O)(N2CC3=CC=CC=C3)[C@H](/C=C/C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)CC6=CC=CC=C6	MCZXWZWFFDMLMP-JCIKPBOZSA-N
DG67595	NSC716792	54611950	"[(E,1S)-1-[(3aS,7aS)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate; CHEMBL1969406; NSC716792; NSC-716792"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716792	.	.	.	.	576.7	C36H37N2O3P	49.8	890	7.8	42	0	5	10	"InChI=1S/C36H37N2O3P/c39-36(32-21-11-4-12-22-32)41-35(26-25-29-15-5-1-6-16-29)42(40)37(27-30-17-7-2-8-18-30)33-23-13-14-24-34(33)38(42)28-31-19-9-3-10-20-31/h1-12,15-22,25-26,33-35H,13-14,23-24,27-28H2/b26-25+/t33-,34-,35-/m0/s1"	C1CC[C@H]2[C@H](C1)N(P(=O)(N2CC3=CC=CC=C3)[C@@H](/C=C/C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)CC6=CC=CC=C6	MCZXWZWFFDMLMP-NVOFOMFTSA-N
DG67596	1-[N'-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride	54611977	NSC56591; NSC-56591	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56591	.	.	.	.	379.9	C17H26ClN7O	123	466	.	26	5	5	8	"InChI=1S/C17H25N7O.ClH/c1-11(2)23-17(19)24-16(18)22-8-7-20-14-10-13(25-3)9-12-5-4-6-21-15(12)14;/h4-6,9-11,20H,7-8H2,1-3H3,(H5,18,19,22,23,24);1H"	CC(C)N=C(N)NC(=NCCNC1=C2C(=CC(=C1)OC)C=CC=N2)N.Cl	IIBDTHHSRQRWAP-UHFFFAOYSA-N
DG67597	"Phosphorus(1+),4-dimethoxyphenyl)tris(N-ethylethanaminato)-, (T-4)-, hexafluorophosphate(1-)"	54612203	"NSC244697; NSC-244697; Phosphorus(1+),4-dimethoxyphenyl)tris(N-ethylethanaminato)-, (T-4)-, hexafluorophosphate(1-)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	244697	.	.	.	.	529.5	C20H39F6N3O2P2	28.2	406	.	33	0	12	12	"InChI=1S/C20H39N3O2P.F6P/c1-9-21(10-2)26(22(11-3)12-4,23(13-5)14-6)20-16-15-18(24-7)17-19(20)25-8;1-7(2,3,4,5)6/h15-17H,9-14H2,1-8H3;/q+1;-1"	CCN(CC)[P+](C1=C(C=C(C=C1)OC)OC)(N(CC)CC)N(CC)CC.F[P-](F)(F)(F)(F)F	COAZLICTGAJRDU-UHFFFAOYSA-N
DG67598	"1H, 2,3,6,7-tetrahydro-N-octyl-, dihydrochloride"	54612305	"NSC160121; NSC-160121; 1H, 2,3,6,7-tetrahydro-N-octyl-, dihydrochloride; 1H, 2,3,6,7-tetrahydro-9-(octylamino)-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	160121	.	.	.	.	336.9	C20H33ClN2	15.3	297	.	23	2	2	8	"InChI=1S/C20H32N2.ClH/c1-2-3-4-5-6-7-12-21-19-15-17-10-8-13-22-14-9-11-18(16-19)20(17)22;/h15-16,21H,2-14H2,1H3;1H"	CCCCCCCCNC1=CC2=C3C(=C1)CCCN3CCC2.Cl	QIFLPQGHSHVCKW-UHFFFAOYSA-N
DG67599	Wln: T B-18-56 C6 A 2BC D& AX CX eov kov qvo VO MU OU A&utj B1 gqh1 B&1 A-& BT3OX chj	54612340	"NSC126728; MLS002703008; Spiro(16,3H,23H-[1,6,12]trioxacyclooctadecino[3,4-d](1)benzopyran-17(18H),2'-oxirane)-3,9,14-trione, 4,5,6,7,16,16a,19a,22-octahydro-4-hydroxy-5,16a,21-trimethyl-, stereoisomer; Spiro(16,3H,23H-[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17(18H),2'-oxirane)-3,9,14-trione, 4,5,6,7,16,16a,19a,22-octahydro-4-hydroxy-5,16a,21-trimethyl-, stereoisomer; NSC-126728; 3148-09-2; WLN: T B-18-56 C6 A 2BC D& AX CX EOV KOV QVO VO MU OU A&UTJ B1 GQH1 B&1 A-& BT3OX CHJ"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	126728	.	.	.	.	518.6	C28H38O9	121	1030	.	37	1	9	0	"InChI=1S/C27H34O9.CH4/c1-16-8-10-26-14-33-24(31)23(30)17(2)9-11-32-21(28)6-4-5-7-22(29)36-18-13-20(35-19(26)12-16)27(15-34-27)25(18,26)3;/h4-7,12,17-20,23,30H,8-11,13-15H2,1-3H3;1H4/b6-4+,7-5-;/t17-,18-,19-,20+,23 ,25+,26-,27+;/m1./s1"	C.C[C@@H]1CCOC(=O)/C=C/C=C\\C(=O)O[C@@H]2C[C@H]3[C@]4([C@@]2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)C1O)C)CO4	UYMAFCXKKGDQQU-VBRYSZMJSA-N
DG67600	(5E)-2-(morpholin-4-ylmethyl)-5-nonylidenecyclopentan-1-one;hydrochloride	54612513	CHEMBL1972888; NSC639505; NSC-639505	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639505	.	.	.	.	343.9	C19H34ClNO2	29.5	358	.	23	1	3	9	"InChI=1S/C19H33NO2.ClH/c1-2-3-4-5-6-7-8-9-17-10-11-18(19(17)21)16-20-12-14-22-15-13-20;/h9,18H,2-8,10-16H2,1H3;1H/b17-9+;"	CCCCCCCC/C=C/1\\CCC(C1=O)CN2CCOCC2.Cl	VCXGYAPRRGELNZ-WWIHJBQESA-N
DG67601	4-chloro-5-methyl-2-(4-nitrophenylhydrazone-N-benzylidenethi o)benzenesulfonylcyanamide potassium salt	54612547	NSC723153; NSC-723153; 4-chloro-5-methyl-2-(4-nitrophenylhydrazone-N-benzylidenethi o)benzenesulfonylcyanamide potassium salt	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723153	.	.	.	.	541.1	C21H16ClKN5O4S2+	174	864	.	34	2	9	8	"InChI=1S/C21H16ClN5O4S2.K/c1-14-11-20(33(30,31)24-13-23)19(12-18(14)22)32-21(15-5-3-2-4-6-15)26-25-16-7-9-17(10-8-16)27(28)29;/h2-12,24-25H,1H3;/q;+1/b26-21-;"	CC1=CC(=C(C=C1Cl)S/C(=N\\NC2=CC=C(C=C2)[N+](=O)[O-])/C3=CC=CC=C3)S(=O)(=O)NC#N.[K+]	NIVFIRLXPLDKQD-AURQPEIRSA-N
DG67602	4-chloro-5-methyl-2-[4-nitrophenylhydrazone-N-(4-chlorobenzy lidenethio)]benzenesulfonylcyanamide potassium salt	54612558	NSC723154; NSC-723154; 4-chloro-5-methyl-2-[4-nitrophenylhydrazone-N-(4-chlorobenzy lidenethio)]benzenesulfonylcyanamide potassium salt	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723154	.	.	.	.	575.5	C21H15Cl2KN5O4S2+	174	897	.	35	2	9	8	"InChI=1S/C21H15Cl2N5O4S2.K/c1-13-10-20(34(31,32)25-12-24)19(11-18(13)23)33-21(14-2-4-15(22)5-3-14)27-26-16-6-8-17(9-7-16)28(29)30;/h2-11,25-26H,1H3;/q;+1/b27-21-;"	CC1=CC(=C(C=C1Cl)S/C(=N\\NC2=CC=C(C=C2)[N+](=O)[O-])/C3=CC=C(C=C3)Cl)S(=O)(=O)NC#N.[K+]	PISLCJUKPBCFFU-DJILMAANSA-N
DG67603	"5-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-1,3-benzodioxole"	54612568	CHEMBL1995199; ZINC5734974; NSC406159; NSC-406159	.	.	Investigative Drug(s)	Investigative	Small molecular drug	406159	.	.	.	.	314.25	C15H10N2O6	110	485	3.7	23	0	6	2	"InChI=1S/C15H10N2O6/c18-16(19)12-5-4-11(13(8-12)17(20)21)3-1-10-2-6-14-15(7-10)23-9-22-14/h1-8H,9H2/b3-1-"	C1OC2=C(O1)C=C(C=C2)/C=C\\C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]	JZKCYSOYDHMFHQ-IWQZZHSRSA-N
DG67604	NSC651853	54612576	"sodium;4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoic acid; NSC651853; NSC-651853"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651853	.	.	.	.	542.5	C28H25NNaO9+	133	864	.	39	3	10	6	"InChI=1S/C28H25NO9.Na/c1-34-21-7-14(8-22(35-2)26(21)30)23-16-9-19-20(38-12-37-19)10-17(16)25(18-11-36-28(33)24(18)23)29-15-5-3-13(4-6-15)27(31)32;/h3-10,18,23-25,29-30H,11-12H2,1-2H3,(H,31,32);/q;+1/t18 ,23 ,24-,25+;/m0./s1"	COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)C(=O)O.[Na+]	SITJWLIOUCLBGN-FEKGNFRDSA-N
DG67605	"4-Bromo-1H-pyrrole-2-carboxylic acid (6a-hydroxy-2-oxo-hexahydro-furo[2,3-d]imidazol-5-ylmethyl)-amide"	54612581	"CHEMBL2004213; NSC723328; NSC-723328; 4-Bromo-1H-pyrrole-2-carboxylic acid (6a-hydroxy-2-oxo-hexahydro-furo[2,3-d]imidazol-5-ylmethyl) -amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723328	.	.	.	.	690.3	C22H26Br2N8O8	231	437	.	40	10	8	6	"InChI=1S/2C11H13BrN4O4/c2*12-5-1-7(13-3-5)8(17)14-4-6-2-11(19)9(20-6)15-10(18)16-11/h2*1,3,6,9,13,19H,2,4H2,(H,14,17)(H2,15,16,18)/t6-,9+,11+;6-,9-,11-/m00/s1"	C1[C@H](O[C@@H]2[C@]1(NC(=O)N2)O)CNC(=O)C3=CC(=CN3)Br.C1[C@H](O[C@H]2[C@@]1(NC(=O)N2)O)CNC(=O)C3=CC(=CN3)Br	PYCRYGPANZWICJ-NQBKHGPVSA-N
DG67606	NSC724778	54612585	"[(1R,5R,8S,12R,13R)-1,5-dimethyl-10-(trifluoromethyl)-11, 14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methyl[1S,4R,5R,8R,12R,13S)-1,5-dimethyl-10-(trifluorom ethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hex adec-9-en-9-yl]methyl ether; NSC724778; NSC-724778; [(1R,5R,8S,12R,13R)-1,5-dimethyl-10-(trifluoromethyl)-11, 14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en- 9-yl]methyl[1S,4R,5R,8R,12R,13S)-1,5-dimethyl-10-(trifluorom ethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hex adec-9-en-9-yl]methyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724778	.	.	.	.	682.6	C32H40F6O9	83.1	1270	5.6	47	0	15	4	"InChI=1S/C32H40F6O9/c1-15-5-7-21-17(23(31(33,34)35)40-25-29(21)19(15)9-11-27(3,42-25)44-46-29)13-39-14-18-22-8-6-16(2)20-10-12-28(4)43-26(30(20,22)47-45-28)41-24(18)32(36,37)38/h15-16,19-22,25-26H,5-14H2,1-4H3/t15-,16-,19+,20+,21+,22+,25-,26-,27-,28-,29-,30-/m1/s1"	C[C@@H]1CC[C@H]2C(=C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C(F)(F)F)COCC5=C(O[C@H]6[C@]78[C@H]5CC[C@H]([C@@H]7CC[C@](O6)(OO8)C)C)C(F)(F)F	CJEILTMXMLELJB-YZCHWQJXSA-N
DG67607	NSC724781	54612586	"(1S,5R,8R,12R,13S)-9-{[(1S,4R,5R,8R,12R,13S)-1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1. 04,13.08,13]hexadec-9-en-9-yl]methoxy}-2-butenyl)oxy]methyl}-1,5-dimethyl-10-trifluoromethyl)-11,14,15,16-tetraoxatetrac yclo[10.3.1.04,13.08,13]hexadec-9-ene; NSC724781; NSC-724781; (1S,5R,8R,12R,13S)-9-{[(1S,4R,5R,8R,12R,13S)-1,5-dimethyl -10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1. 04,13.08,13]hexadec-9-en-9-yl]methoxy}-2-butenyl)oxy]methyl} -1,5-dimethyl-10-trifluoromethyl)-11,14,15,16-tetraoxatetrac yclo[10.3.1.04,13.08,13]hexadec-9-ene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724781	.	.	.	.	752.7	C36H46F6O10	92.3	1390	5.7	52	0	16	8	"InChI=1S/C36H46F6O10/c1-19-7-9-25-21(27(35(37,38)39)45-29-33(25)23(19)11-13-31(3,47-29)49-51-33)17-43-15-5-6-16-44-18-22-26-10-8-20(2)24-12-14-32(4)48-30(34(24,26)52-50-32)46-28(22)36(40,41)42/h5-6,19-20,23-26,29-30H,7-18H2,1-4H3/b6-5+/t19-,20-,23+,24+,25+,26+,29-,30-,31-,32-,33-,34-/m1/s1"	C[C@@H]1CC[C@H]2C(=C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C(F)(F)F)COC/C=C/COCC5=C(O[C@H]6[C@]78[C@H]5CC[C@H]([C@@H]7CC[C@](O6)(OO8)C)C)C(F)(F)F	QKYGVYDWCPIOHC-ZAQHIASYSA-N
DG67608	NSC724784	54612587	"(1S,5R,8R,12R,13S)-1,5-dimethyl-9-methylene-11,14,15,16-t etraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]oxy}-3-he xenyl)oxy]-1,5,-dimethyl-9-methylene-11,14,15,16-tetraoxatet racyclo[10.3.1.04,13.08,13]hexadecane; NSC724784; NSC-724784; (1S,5R,8R,12R,13S)-1,5-dimethyl-9-methylene-11,14,15,16-t etraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]oxy}-3-he xenyl)oxy]-1,5,-dimethyl-9-methylene-11,14,15,16-tetraoxatet racyclo[10.3.1.04,13.08,13]hexadecane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724784	.	.	.	.	616.7	C34H48O10	92.3	1120	4.7	44	0	10	6	"InChI=1S/C34H48O10/c1-19-9-11-25-21(3)27(37-29-33(25)23(19)13-15-31(5,39-29)41-43-33)35-17-7-8-18-36-28-22(4)26-12-10-20(2)24-14-16-32(6)40-30(38-28)34(24,26)44-42-32/h7-8,19-20,23-30H,3-4,9-18H2,1-2,5-6H3/b8-7+/t19-,20-,23+,24+,25+,26+,27 ,28 ,29-,30-,31-,32-,33-,34-/m1/s1"	C[C@@H]1CC[C@H]2C(=C)C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC/C=C/COC5C(=C)[C@@H]6CC[C@H]([C@H]7[C@]68[C@H](O5)O[C@@](CC7)(OO8)C)C	VBHIZVZOWZNOCX-VBLCMYPVSA-N
DG67609	"12-Methoxy-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-10-ol"	54612598	NSC723397; NSC-723397	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723397	.	.	.	.	264.28	C16H12N2O2	54.4	364	3.1	20	2	4	1	"InChI=1S/C16H12N2O2/c1-20-13-8-12(19)15-14-10(6-7-17-16(13)14)9-4-2-3-5-11(9)18-15/h2-8,18-19H,1H3"	COC1=CC(=C2C3=C(C=CN=C13)C4=CC=CC=C4N2)O	QJCJSXJPLXBGED-UHFFFAOYSA-N
DG67610	"2-[(Z)-[2-chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	54612614	NSC-722874; CHEMBL1964810; NSC722874	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722874	.	.	.	.	400.2	C13H11Cl2N7O2S	168	539	.	25	3	6	3	"InChI=1S/C13H10ClN7O2S.ClH/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-2-1-3-8(4-7)21(22)23;/h1-6H,(H4,15,16,19);1H/b17-5-;"	C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(N3C=C(SC3=N2)Cl)/C=N\\N=C(N)N.Cl	RVIYDDDNYAFDSO-PXQSGXIUSA-N
DG67611	"2-[(Z)-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	54612616	NSC-722875; CHEMBL1978074; NSC722875	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722875	.	.	.	.	365.8	C13H12ClN7O2S	168	505	.	24	3	6	3	"InChI=1S/C13H11N7O2S.ClH/c14-12(15)18-16-7-10-11(17-13-19(10)4-5-23-13)8-2-1-3-9(6-8)20(21)22;/h1-7H,(H4,14,15,18);1H/b16-7-;"	C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(N3C=CSC3=N2)/C=N\\N=C(N)N.Cl	IRWMHTWBYYUWMR-GBKTVRHWSA-N
DG67612	NSC725191	54612623	"1,4R,5R,8R,12R,13S)-1,5-dimethyl-10-(trifluorometh yl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexade c-9-en-9-yl]-3-hexene-1,6-diol; NSC725191; NSC-725191; 1,4R,5R,8R,12R,13S)-1,5-dimethyl-10-(trifluorometh yl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexade c-9-en-9-yl]-3-hexene-1,6-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725191	.	.	.	.	754.7	C36H48F6O10	114	1380	5.8	52	2	16	7	"InChI=1S/C36H48F6O10/c1-17-9-11-21-25(27(35(37,38)39)45-29-33(21)19(17)13-15-31(3,47-29)49-51-33)23(43)7-5-6-8-24(44)26-22-12-10-18(2)20-14-16-32(4)48-30(34(20,22)52-50-32)46-28(26)36(40,41)42/h17-24,29-30,43-44H,5-16H2,1-4H3/t17-,18-,19+,20+,21+,22+,23 ,24 ,29-,30-,31-,32-,33-,34-/m1/s1"	C[C@@H]1CC[C@H]2C(=C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C(F)(F)F)C(CCCCC(C5=C(O[C@H]6[C@]78[C@H]5CC[C@H]([C@@H]7CC[C@](O6)(OO8)C)C)C(F)(F)F)O)O	QBKSYZNQNHDRHO-SPJVOIJTSA-N
DG67613	"2-Methylthiazolidine-2,4-dicarbonylic acid-di-sodium salt"	54612624	"NSC726111; NSC-726111; 2-Methylthiazolidine-2,4-dicarbonylic acid- di-sodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726111	.	.	.	.	214.2	C6H9NNaO4S+	112	232	.	13	3	6	2	"InChI=1S/C6H9NO4S.Na/c1-6(5(10)11)7-3(2-12-6)4(8)9;/h3,7H,2H2,1H3,(H,8,9)(H,10,11);/q;+1/t3-,6-;/m0./s1"	C[C@@]1(N[C@@H](CS1)C(=O)O)C(=O)O.[Na+]	HNENRQXUWDXDOL-CGLOMXEHSA-N
DG67614	NSC724779	54612639	"1-{[(1R,5R,8S,12R,13R)-1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methyl}-4-{[1S,4R,5R,8R,12R,13S)-1,5-dimethyl-10-(tr ifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.0 8,13]methyl}piperazine; NSC724779; NSC-724779; 1-{[(1R,5R,8S,12R,13R)-1,5-dimethyl-10-(trifluoromethyl)- 11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9- en-9-yl]methyl}-4-{[1S,4R,5R,8R,12R,13S)-1,5-dimethyl-10-(tr ifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.0 8,13]methyl}piperazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724779	.	.	.	.	750.8	C36H48F6N2O8	80.3	1410	5.6	52	0	16	4	"InChI=1S/C36H48F6N2O8/c1-19-5-7-25-21(27(35(37,38)39)45-29-33(25)23(19)9-11-31(3,47-29)49-51-33)17-43-13-15-44(16-14-43)18-22-26-8-6-20(2)24-10-12-32(4)48-30(34(24,26)52-50-32)46-28(22)36(40,41)42/h19-20,23-26,29-30H,5-18H2,1-4H3/t19-,20-,23+,24+,25+,26+,29-,30-,31-,32-,33-,34-/m1/s1"	C[C@@H]1CC[C@H]2C(=C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C(F)(F)F)CN5CCN(CC5)CC6=C(O[C@H]7[C@]89[C@H]6CC[C@H]([C@@H]8CC[C@](O7)(OO9)C)C)C(F)(F)F	DCZQSZBJFJZLCK-VOPARTLESA-N
DG67615	NSC724780	54612640	"(1S,5R,12R,13S)-9-[(2-{[(1S,4R,5R,8R,12R,13S)-1,5-dimethy l)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methoxy}ethoxy)methyl]-1,5-dimethyl-10-(trifluoro methyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]he xadec-9-ene; NSC724780; NSC-724780; (1S,5R,12R,13S)-9-[(2-{[(1S,4R,5R,8R,12R,13S)-1,5-dimethy l)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec -9-en-9-yl]methoxy}ethoxy)methyl]-1,5-dimethyl-10-(trifluoro methyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]he xadec-9-ene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724780	.	.	.	.	726.7	C34H44F6O10	92.3	1320	5.4	50	0	16	7	"InChI=1S/C34H44F6O10/c1-17-5-7-23-19(25(33(35,36)37)43-27-31(23)21(17)9-11-29(3,45-27)47-49-31)15-41-13-14-42-16-20-24-8-6-18(2)22-10-12-30(4)46-28(32(22,24)50-48-30)44-26(20)34(38,39)40/h17-18,21-24,27-28H,5-16H2,1-4H3/t17-,18-,21+,22+,23+,24+,27-,28-,29-,30-,31-,32-/m1/s1"	C[C@@H]1CC[C@H]2C(=C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C(F)(F)F)COCCOCC5=C(O[C@H]6[C@]78[C@H]5CC[C@H]([C@@H]7CC[C@](O6)(OO8)C)C)C(F)(F)F	IEGZHCBILWXDBP-KBTZNAIJSA-N
DG67616	NSC724782	54612641	"(1S,5R,8R,9R,12R,13S)-1,5,9-trimethyl-10-[(4-{[(1S,4R,5R, 8R,9R,12R,13S)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracycl o[10.3.1.04,13.08,13]hexadec-10-yl]oxy}-2-butenyl)oxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane; NSC724782; NSC-724782; (1S,5R,8R,9R,12R,13S)-1,5,9-trimethyl-10-[(4-{[(1S,4R,5R, 8R,9R,12R,13S)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracycl o[10.3.1.04,13.08,13]hexadec-10-yl]oxy}-2-butenyl)oxy]-11,14 ,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724782	.	.	.	.	620.8	C34H52O10	92.3	1040	6.2	44	0	10	6	"InChI=1S/C34H52O10/c1-19-9-11-25-21(3)27(37-29-33(25)23(19)13-15-31(5,39-29)41-43-33)35-17-7-8-18-36-28-22(4)26-12-10-20(2)24-14-16-32(6)40-30(38-28)34(24,26)44-42-32/h7-8,19-30H,9-18H2,1-6H3/b8-7+/t19-,20-,21-,22-,23+,24+,25+,26+,27 ,28 ,29-,30-,31-,32-,33-,34-/m1/s1"	C[C@@H]1CC[C@H]2[C@H](C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC/C=C/COC5[C@@H]([C@@H]6CC[C@H]([C@H]7[C@]68[C@H](O5)O[C@@](CC7)(OO8)C)C)C)C	FYPHPAIHOJTHRN-LXEWPXTESA-N
DG67617	"(2R,5-diol)"	54612643	"(2R,5-diol); NSC726458; NSC-726458"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726458	.	.	.	.	537.9	C34H67NO3	69.6	508	12.5	38	3	3	30	"InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-34(38)35-32(31-36)29-30-33(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h29-30,32-33,36-37H,3-28,31H2,1-2H3,(H,35,38)/b30-29+/t32-,33-/m1/s1"	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)/C=C/[C@@H](CCCCCCCCCCCCC)O	IGYXOUPDSVKAOE-YPJDGMCUSA-N
DG67618	"3-(2-Aminopyrimidin-4-yl)-1-benzyl-2-methylbenzo[f]indole-4,9-dione"	54612650	NSC730933; NSC-730933	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730933	.	.	.	.	394.4	C24H18N4O2	90.9	664	3.5	30	1	5	3	"InChI=1S/C24H18N4O2/c1-14-19(18-11-12-26-24(25)27-18)20-21(28(14)13-15-7-3-2-4-8-15)23(30)17-10-6-5-9-16(17)22(20)29/h2-12H,13H2,1H3,(H2,25,26,27)"	CC1=C(C2=C(N1CC3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)C5=NC(=NC=C5)N	KFEAXDDNILOHTI-UHFFFAOYSA-N
DG67619	"3-(2-Aminopyrimidin-4-yl)-2-methyl-1-phenylbenzo[f]indole-4,9-dione"	54612651	NSC730934; NSC-730934	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730934	.	.	.	.	380.4	C23H16N4O2	90.9	649	3.6	29	1	5	2	"InChI=1S/C23H16N4O2/c1-13-18(17-11-12-25-23(24)26-17)19-20(27(13)14-7-3-2-4-8-14)22(29)16-10-6-5-9-15(16)21(19)28/h2-12H,1H3,(H2,24,25,26)"	CC1=C(C2=C(N1C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)C5=NC(=NC=C5)N	NVUKVMTVOJOHAG-UHFFFAOYSA-N
DG67620	"(E)-1-(7-methoxy-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	54612660	"NSC741738; NSC-741738; 1-(7-Methoxy-3-methyl-1,4,5-trimethoxy-phenyl)-propenone; 1-(7-Methoxy-3-methyl-1,4-dioxy-quinoxalin-2-yl)-3-(3,4,5-trimethoxy-phenyl)-propenone; (E)-1-(7-methoxy-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741738	.	.	.	.	426.4	C22H22N2O7	100	723	2.3	31	0	8	7	"InChI=1S/C22H22N2O7/c1-13-21(24(27)17-12-15(28-2)7-8-16(17)23(13)26)18(25)9-6-14-10-19(29-3)22(31-5)20(11-14)30-4/h6-12H,1-5H3/b9-6+"	CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)C(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC	ZJKRIDXDXHXKQI-RMKNXTFCSA-N
DG67621	"(E)-1-(7-chloro-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	54612661	"NSC741739; NSC-741739; 1-(7-Chloro-3-methyl-1,4,5-trimethoxy-phenyl)-propenone; 1-(7-Chloro-3-methyl-1,4-dioxy-quinoxalin-2-yl)-3-(3,4,5-trimethoxy-phenyl)-propenone; (E)-1-(7-chloro-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741739	.	.	.	.	430.8	C21H19ClN2O6	91.1	712	2.9	30	0	7	6	"InChI=1S/C21H19ClN2O6/c1-12-20(24(27)16-11-14(22)6-7-15(16)23(12)26)17(25)8-5-13-9-18(28-2)21(30-4)19(10-13)29-3/h5-11H,1-4H3/b8-5+"	CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)Cl)C(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC	UHGXZCLNRISHHZ-VMPITWQZSA-N
DG67622	"(1S,5S,8R,9S,11S,12R)-1,12-dihydroxy-5,9,12-trimethyl-11-(2-methylprop-1-enyl)-2-oxatricyclo[6.4.1.04,13]tridec-4(13)-en-3-one"	54612670	NSC734919; NSC-734919	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734919	.	.	.	.	320.4	C19H28O4	66.8	601	2.8	23	2	4	1	"InChI=1S/C19H28O4/c1-10(2)8-13-9-12(4)14-7-6-11(3)15-16(14)19(22,18(13,5)21)23-17(15)20/h8,11-14,21-22H,6-7,9H2,1-5H3/t11-,12-,13+,14+,18+,19-/m0/s1"	C[C@H]1CC[C@@H]2[C@H](C[C@H]([C@@]([C@@]3(C2=C1C(=O)O3)O)(C)O)C=C(C)C)C	MPBLUBDRLXELAD-MJYPGYOBSA-N
DG67623	Furan-2-yl-(7-methyl-2-oxy-3-trifluoromethyl-quinoxalin-2-yl)-methanone	54612671	NSC741431; NSC-741431; Furan-2-yl-(7-methyl-2-oxy-3-trifluoromethyl-quinoxalin-2-yl)-methanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	741431	.	.	.	.	322.24	C15H9F3N2O3	68.6	460	2.6	23	0	7	2	"InChI=1S/C15H9F3N2O3/c1-8-4-5-10-9(7-8)19-12(13(21)11-3-2-6-23-11)14(20(10)22)15(16,17)18/h2-7H,1H3"	CC1=CC2=C(C=C1)[N+](=C(C(=N2)C(=O)C3=CC=CO3)C(F)(F)F)[O-]	RYPJOMJNRLVMBH-UHFFFAOYSA-N
DG67624	"21-[2-(N,3,5(10),17(20)-tetraen-3-ol citrate salt"	54612678	"NSC745098; NSC-745098; SR16388; 21-[2-(N,3,5(10),17(20)-tetraen-3-ol citrate salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745098	.	.	.	.	589.7	C32H47NO9	165	789	.	42	5	10	11	"InChI=1S/C25H37NO2.C7H10O7/c1-17-15-18-16-20(27)6-7-21(18)22-9-11-25(2)19(5-8-23(25)24(17)22)10-13-28-14-12-26(3)4;8-4(9)1-7(14,2-5(10)11)3-6(12)13/h6-7,10,16-17,22-24,27H,5,8-9,11-15H2,1-4H3;14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/b19-10+;/t17-,22-,23+,24-,25-;/m1./s1"	C[C@@H]1CC2=C(C=CC(=C2)O)[C@@H]3[C@@H]1[C@@H]4CC/C(=C\\COCCN(C)C)/[C@]4(CC3)C.C(C(=O)O)C(CC(=O)O)(CC(=O)O)O	YCKKCNHGMXZJDR-RFVFDIJPSA-N
DG67625	2-Furoyl-7-chloro-3-trifluoromethylquinoxaline-4-oxide	54612695	NSC740117; NSC-740117; 2-furoyl-7-chloro-3-trifluoromethylquinoxaline-4-oxide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740117	.	.	.	.	342.65	C14H6ClF3N2O3	68.6	465	2.8	23	0	7	2	"InChI=1S/C14H6ClF3N2O3/c15-7-3-4-9-8(6-7)19-11(12(21)10-2-1-5-23-10)13(20(9)22)14(16,17)18/h1-6H"	C1=COC(=C1)C(=O)C2=NC3=C(C=CC(=C3)Cl)[N+](=C2C(F)(F)F)[O-]	HVNVOGUKPMBICO-UHFFFAOYSA-N
DG67626	Ethyl 3-methyl-7-trifluoromethylquinoxaline-4-oxide 2-carboxylate	54612696	NSC740115; NSC-740115; Ethyl 3-methyl-7-trifluoromethylquinoxaline-4-oxide 2-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740115	.	.	.	.	300.23	C13H11F3N2O3	64.599	391	2.1	21	0	7	3	"InChI=1S/C13H11F3N2O3/c1-3-21-12(19)11-7(2)18(20)10-5-4-8(13(14,15)16)6-9(10)17-11/h4-6H,3H2,1-2H3"	CCOC(=O)C1=C([N+](=C2C=CC(=CC2=N1)C(F)(F)F)[O-])C	VJIDTBSNWTWLOF-UHFFFAOYSA-N
DG67627	"(1R,2R,3R,5S,6R,8R,12S)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxatricyclo[10.2.1.02,6]pentadecane-3,5-diol"	54612708	NSC737076; NSC-737076	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737076	.	.	.	.	322.5	C20H34O3	49.7	474	3.2	23	2	3	1	"InChI=1S/C20H34O3/c1-12(2)14-7-6-13(3)17-8-9-20(5,23-17)18-15(10-14)19(4,22)11-16(18)21/h12,14-18,21-22H,3,6-11H2,1-2,4-5H3/t14-,15-,16-,17+,18-,19+,20-/m1/s1"	CC(C)[C@@H]1CCC(=C)[C@@H]2CC[C@@](O2)([C@@H]3[C@@H](C1)[C@@](C[C@H]3O)(C)O)C	NRKRZWASYYAQCV-ABHMGBDOSA-N
DG67628	2-hydroxy-5-[[(Z)-(2-hydroxy-4-oxochromen-3-ylidene)methyl]amino]benzoic acid	54612711	NSC747804; NSC-747804	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747804	.	.	.	.	327.29	C17H13NO6	116	533	2.2	24	4	7	3	"InChI=1S/C17H13NO6/c19-13-6-5-9(7-11(13)16(21)22)18-8-12-15(20)10-3-1-2-4-14(10)24-17(12)23/h1-8,17-19,23H,(H,21,22)/b12-8+"	C1=CC=C2C(=C1)C(=O)/C(=C\\NC3=CC(=C(C=C3)O)C(=O)O)/C(O2)O	VWXJCAGVLFLYIM-XYOKQWHBSA-N
DG67629	NSC732949	54612712	"dimethyl (1S,2S,8S,11R,13S,14S)-11-methyl-6,9,16-trioxo-4-(3-oxoprop-1-en-2-yl)-15,17,18-trioxatetracyclo[11.2.2.18,11.01,14]octadecane-2,7-dicarboxylate; NSC732949; NSC-732949"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732949	.	.	.	.	478.4	C23H26O11	152	985	-0.5	34	0	11	6	"InChI=1S/C23H26O11/c1-10(9-24)11-5-12(19(27)30-3)23-18(34-23)15(32-21(23)29)8-22(2)7-14(26)17(33-22)16(13(25)6-11)20(28)31-4/h9,11-12,15-18H,1,5-8H2,2-4H3/t11 ,12-,15+,16 ,17-,18+,22+,23+/m1/s1"	C[C@]12C[C@H]3[C@H]4[C@@](O4)([C@H](CC(CC(=O)C([C@H](O1)C(=O)C2)C(=O)OC)C(=C)C=O)C(=O)OC)C(=O)O3	LGRJLHIJDAQIMR-TXWNJPJDSA-N
DG67630	"(3-Difluoromethyl-6,4-dioxy-quinoxalin-2-yl)-phenyl-methanone"	54612713	"NSC742327; NSC-742327; (3-Difluoromethyl-6,4-dioxy-quinoxalin-2-yl)-phenyl-methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742327	.	.	.	.	344.3	C18H14F2N2O3	63.4	587	2.9	25	0	6	3	"InChI=1S/C18H14F2N2O3/c1-10-8-13-14(9-11(10)2)22(25)16(18(19)20)15(21(13)24)17(23)12-6-4-3-5-7-12/h3-9,18H,1-2H3"	CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C(F)F)C(=O)C3=CC=CC=C3	FBLVQHGSDOSVRW-UHFFFAOYSA-N
DG67631	"(1S,5R,9S)-5-ethenyl-2,3,9,10-tetrahydroxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-6-en-8-one"	54612739	Diaporthein B; NSC751295; NSC-751295	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751295	.	.	.	.	364.4	C20H28O6	107	743	0.7	26	4	6	1	"InChI=1S/C20H28O6/c1-5-16(4)9-12-14(22)19(24)20(25)15(2,3)7-6-8-17(20,11-26-19)18(12,23)13(21)10-16/h5,9,13,21,23-25H,1,6-8,10-11H2,2-4H3/t13 ,16-,17+,18 ,19-,20 /m1/s1"	C[C@@]1(CC(C2(C(=C1)C(=O)[C@@]3(C4([C@@]2(CCCC4(C)C)CO3)O)O)O)O)C=C	FVYIOIBMUVNZMQ-JBHGINGMSA-N
DG67632	2-(p-Chlorobenzoyl)-3-(2-phenyl-1H-indole-3-yl)acrylonitrile	54612751	CHEMBL3617145; NSC748870; NSC-748870; J3.519.594G; 2-(p-Chlorobenzoyl)-3-(2-phenyl-1H-indole-3-yl)acrylonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748870	.	.	.	.	382.8	C24H15ClN2O	56.6	636	6	28	1	2	4	"InChI=1S/C24H15ClN2O/c25-19-12-10-17(11-13-19)24(28)18(15-26)14-21-20-8-4-5-9-22(20)27-23(21)16-6-2-1-3-7-16/h1-14,27H/b18-14+"	C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)/C=C(\\C#N)/C(=O)C4=CC=C(C=C4)Cl	UVAAAQSMOMGMPU-NBVRZTHBSA-N
DG67633	(E)-2-(benzenesulfonyl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]prop-2-enenitrile	54612752	CHEMBL3617170; NSC748871; NSC-748871	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748871	.	.	.	.	414.5	C24H18N2O3S	91.3	764	4.8	30	1	4	5	"InChI=1S/C24H18N2O3S/c1-29-18-13-11-17(12-14-18)24-22(21-9-5-6-10-23(21)26-24)15-20(16-25)30(27,28)19-7-3-2-4-8-19/h2-15,26H,1H3/b20-15+"	COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)/C=C(\\C#N)/S(=O)(=O)C4=CC=CC=C4	LCQBUMMTVSXTTG-HMMYKYKNSA-N
DG67634	(E)-2-(benzenesulfonyl)-3-(5-methoxy-2-phenyl-1H-indol-3-yl)prop-2-enenitrile	54612753	CHEMBL3617172; NSC748872; NSC-748872	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748872	.	.	.	.	414.5	C24H18N2O3S	91.3	766	4.8	30	1	4	5	"InChI=1S/C24H18N2O3S/c1-29-18-12-13-23-21(14-18)22(24(26-23)17-8-4-2-5-9-17)15-20(16-25)30(27,28)19-10-6-3-7-11-19/h2-15,26H,1H3/b20-15+"	COC1=CC2=C(C=C1)NC(=C2/C=C(\\C#N)/S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4	HSPBJSUJBJNRBC-HMMYKYKNSA-N
DG67635	(E)-2-(benzenesulfonyl)-3-[5-methoxy-2-(4-methoxyphenyl)-1H-indol-3-yl]prop-2-enenitrile	54612754	CHEMBL3617173; NSC748873; NSC-748873	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748873	.	.	.	.	444.5	C25H20N2O4S	101	813	4.8	32	1	5	6	"InChI=1S/C25H20N2O4S/c1-30-18-10-8-17(9-11-18)25-23(22-14-19(31-2)12-13-24(22)27-25)15-21(16-26)32(28,29)20-6-4-3-5-7-20/h3-15,27H,1-2H3/b21-15+"	COC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)OC)/C=C(\\C#N)/S(=O)(=O)C4=CC=CC=C4	JULDFNIAYCOYRE-RCCKNPSSSA-N
DG67636	(E)-3-methylsulfonyl-4-(2-phenyl-1H-indol-3-yl)but-3-en-2-one	54612756	CHEMBL3617157; NSC748875; NSC-748875	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748875	.	.	.	.	339.4	C19H17NO3S	75.4	599	3.3	24	1	3	4	"InChI=1S/C19H17NO3S/c1-13(21)18(24(2,22)23)12-16-15-10-6-7-11-17(15)20-19(16)14-8-4-3-5-9-14/h3-12,20H,1-2H3/b18-12+"	CC(=O)/C(=C\\C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)/S(=O)(=O)C	YZOLADOWELKGMD-LDADJPATSA-N
DG67637	"methyl 2,3-di-O-benzyl-6-deoxy-6-(3-iodobenzoylamino)-4-O-(1-pentenyl)-alfa-D-glicopyranoside"	54612763	"NSC748653; NSC-748653; methyl 2,3-di-O-benzyl-6-deoxy-6-(3-iodobenzoylamino)-4-O-(1-pentenyl)-alfa-D-glicopyranoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748653	.	.	.	.	671.6	C33H38INO6	75.2	758	5.8	41	1	6	15	"InChI=1S/C33H38INO6/c1-3-4-11-19-38-29-28(21-35-32(36)26-17-12-18-27(34)20-26)41-33(37-2)31(40-23-25-15-9-6-10-16-25)30(29)39-22-24-13-7-5-8-14-24/h3,5-10,12-18,20,28-31,33H,1,4,11,19,21-23H2,2H3,(H,35,36)/t28-,29 ,30+,31 ,33 /m1/s1"	COC1C([C@H](C([C@H](O1)CNC(=O)C2=CC(=CC=C2)I)OCCCC=C)OCC3=CC=CC=C3)OCC4=CC=CC=C4	MODNYLJPLYGELP-UREUCWRBSA-N
DG67638	"6-Methylsulfanyl-10-phenyl-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaen-4-amine"	54612800	NSC750685; NSC-750685	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750685	.	.	.	.	387.5	C22H21N5S	102	577	4.1	28	2	6	2	"InChI=1S/C22H21N5S/c1-28-22-26-20(23)19-21(27-22)25-17(14-8-3-2-4-9-14)16-12-11-13-7-5-6-10-15(13)18(16)24-19/h2-10,16-17H,11-12H2,1H3,(H3,23,25,26,27)"	CSC1=NC(=C2C(=N1)NC(C3CCC4=CC=CC=C4C3=N2)C5=CC=CC=C5)N	BGEBAYSYLQCBJE-UHFFFAOYSA-N
DG67639	N-(3-{(2E)-3-[4-(diethylamino)phenyl]prop-2-enoyl}phenyl)methanesulfonamide	54612807	NSC749245; NSC-749245; N-(3-{(2E)-3-[4-(diethylamino)phenyl]prop-2-enoyl}phenyl)methanesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749245	.	.	.	.	372.5	C20H24N2O3S	74.9	570	3.5	26	1	5	8	"InChI=1S/C20H24N2O3S/c1-4-22(5-2)19-12-9-16(10-13-19)11-14-20(23)17-7-6-8-18(15-17)21-26(3,24)25/h6-15,21H,4-5H2,1-3H3/b14-11+"	CCN(CC)C1=CC=C(C=C1)/C=C/C(=O)C2=CC(=CC=C2)NS(=O)(=O)C	UTIXHNGGJDENRC-SDNWHVSQSA-N
DG67640	"5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-amine"	54612823	NSC747339; NSC-747339	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747339	.	.	.	.	355.4	C19H21N3O4	77.6	406	3.3	26	2	6	7	"InChI=1S/C19H21N3O4/c1-23-14-7-5-12(6-8-14)18-15(11-20-22-18)21-13-9-16(24-2)19(26-4)17(10-13)25-3/h5-11,21H,1-4H3,(H,20,22)"	COC1=CC=C(C=C1)C2=C(C=NN2)NC3=CC(=C(C(=C3)OC)OC)OC	JSGVKIMYZVMKRL-UHFFFAOYSA-N
DG67641	"3-methoxy-8,9-dimethyl-5H-isoindolo[2,1-a]quinoxalin-6-one"	54612824	NSC747520; NSC-747520	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747520	.	.	.	.	292.3	C18H16N2O2	43.3	454	3.5	22	1	2	1	"InChI=1S/C18H16N2O2/c1-10-6-12-9-20-16-5-4-13(22-3)8-15(16)19-18(21)17(20)14(12)7-11(10)2/h4-9H,1-3H3,(H,19,21)"	CC1=CC2=CN3C4=C(C=C(C=C4)OC)NC(=O)C3=C2C=C1C	PNRUIYJMOWEEFK-UHFFFAOYSA-N
DG67642	"3-Methoxy-5H-10-fluoro-isoindolo[2,1-A]quinoxalin-6-one"	54612825	"NSC747521; NSC-747521; 3- METHOXY-5H-10-FLUORO-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747521	.	.	.	.	282.27	C16H11FN2O2	43.3	433	2.9	21	1	3	1	"InChI=1S/C16H11FN2O2/c1-21-9-5-6-14-13(7-9)18-16(20)15-10-3-2-4-12(17)11(10)8-19(14)15/h2-8H,1H3,(H,18,20)"	COC1=CC2=C(C=C1)N3C=C4C(=C3C(=O)N2)C=CC=C4F	JPYMQJSBXAEVGD-UHFFFAOYSA-N
DG67643	"3-Methoxy-5H-8-methoxy-isoindolo[2,1-A]quinoxalin-6-one"	54612826	"NSC747522; NSC-747522; 3- METHOXY-5H-8-METHOXY-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747522	.	.	.	.	294.3	C17H14N2O3	52.5	444	2.8	22	1	3	2	"InChI=1S/C17H14N2O3/c1-21-11-4-3-10-9-19-15-6-5-12(22-2)8-14(15)18-17(20)16(19)13(10)7-11/h3-9H,1-2H3,(H,18,20)"	COC1=CC2=C3C(=O)NC4=C(N3C=C2C=C1)C=CC(=C4)OC	KUWBJYLEYHPKQQ-UHFFFAOYSA-N
DG67644	"3-Methoxy-5H-9-methoxy-isoindolo[2,1-A]quinoxalin-6-one"	54612827	"NSC747523; NSC-747523; 3- METHOXY-5H-9-METHOXY-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747523	.	.	.	.	294.3	C17H14N2O3	52.5	444	2.8	22	1	3	2	"InChI=1S/C17H14N2O3/c1-21-11-3-5-13-10(7-11)9-19-15-6-4-12(22-2)8-14(15)18-17(20)16(13)19/h3-9H,1-2H3,(H,18,20)"	COC1=CC2=CN3C4=C(C=C(C=C4)OC)NC(=O)C3=C2C=C1	HGAHKZJDPQSSQB-UHFFFAOYSA-N
DG67645	"2-Methoxy-5H-isoindolo[2,1-A]quinoxalin-6-one"	54612828	"NSC747524; NSC-747524; 2- METHOXY-5H-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747524	.	.	.	.	264.28	C16H12N2O2	43.3	400	2.8	20	1	2	1	"InChI=1S/C16H12N2O2/c1-20-11-6-7-13-14(8-11)18-9-10-4-2-3-5-12(10)15(18)16(19)17-13/h2-9H,1H3,(H,17,19)"	COC1=CC2=C(C=C1)NC(=O)C3=C4C=CC=CC4=CN23	LFRMXMYKXRCNJD-UHFFFAOYSA-N
DG67646	"1,1-A]Quinoxalin-6-one"	54612829	"1,1-A]QUINOXALIN-6-ONE; NSC747525; NSC-747525"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747525	.	.	.	.	294.3	C17H14N2O3	52.5	444	2.8	22	1	3	2	"InChI=1S/C17H14N2O3/c1-21-12-7-8-13(22-2)16-14(12)18-17(20)15-11-6-4-3-5-10(11)9-19(15)16/h3-9H,1-2H3,(H,18,20)"	COC1=C2C(=C(C=C1)OC)N3C=C4C=CC=CC4=C3C(=O)N2	GKZKCMUUCHACQA-UHFFFAOYSA-N
DG67647	"3,8,9-trimethoxy-5H-isoindolo[2,1-a]quinoxalin-6-one"	54612830	NSC747526; NSC-747526	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747526	.	.	.	.	324.3	C18H16N2O4	61.7	488	2.7	24	1	4	3	"InChI=1S/C18H16N2O4/c1-22-11-4-5-14-13(7-11)19-18(21)17-12-8-16(24-3)15(23-2)6-10(12)9-20(14)17/h4-9H,1-3H3,(H,19,21)"	COC1=CC2=C(C=C1)N3C=C4C=C(C(=CC4=C3C(=O)N2)OC)OC	CNSTVRRUULEAPC-UHFFFAOYSA-N
DG67648	"5-methyl-N-piperidin-4-yl-10H-indolo[3,2-b]quinolin-5-ium-11-amine;chloride;hydrochloride"	54612840	NSC-748392; NSC748392	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748392	.	.	.	.	403.3	C21H24Cl2N4	43.7	463	.	27	4	3	2	"InChI=1S/C21H22N4.2ClH/c1-25-18-9-5-3-7-16(18)19(23-14-10-12-22-13-11-14)20-21(25)15-6-2-4-8-17(15)24-20;;/h2-9,14,22H,10-13H2,1H3,(H,23,24);2*1H"	C[N+]1=C2C3=CC=CC=C3NC2=C(C4=CC=CC=C41)NC5CCNCC5.Cl.[Cl-]	OKVOKXASFPIVPI-UHFFFAOYSA-N
DG67649	"N',N'-diethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)butane-1,4-diamine;chloride;hydrochloride"	54612841	NSC-748393; NSC748393	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748393	.	.	.	.	447.4	C24H32Cl2N4	34.9	479	.	30	3	3	8	"InChI=1S/C24H30N4.2ClH/c1-4-28(5-2)17-11-10-16-25-22-19-13-7-9-15-21(19)27(3)24-18-12-6-8-14-20(18)26-23(22)24;;/h6-9,12-15H,4-5,10-11,16-17H2,1-3H3,(H,25,26);2*1H"	CCN(CC)CCCCNC1=C2C(=[N+](C3=CC=CC=C31)C)C4=CC=CC=C4N2.Cl.[Cl-]	VWMMYRCUWSIIBR-UHFFFAOYSA-N
DG67650	"[(20S)-20-(N,N-dimethylamino)-3a-(tigloylamino)-5a-preg-2a-O-acetate-4a-ol]"	54612848	"NSC748900; NSC-748900; [(20S)-20-(N,N-dimethylamino)-3a-(tigloylamino)-5a-preg-2a -O-acetate-4a-ol]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748900	.	.	.	.	502.7	C30H50N2O4	78.9	886	5.5	36	2	5	6	"InChI=1S/C30H50N2O4/c1-9-17(2)28(35)31-26-25(36-19(4)33)16-30(6)23-14-15-29(5)21(18(3)32(7)8)12-13-22(29)20(23)10-11-24(30)27(26)34/h9,18,20-27,34H,10-16H2,1-8H3,(H,31,35)/b17-9+/t18 ,20 ,21-,22 ,23 ,24 ,25+,26+,27-,29-,30-/m1/s1"	C/C=C(\\C)/C(=O)N[C@H]1[C@H](C[C@]2(C([C@H]1O)CCC3C2CC[C@]4(C3CC[C@@H]4C(C)N(C)C)C)C)OC(=O)C	NGSUWFQYLHJISG-ROPKYEPZSA-N
DG67651	"[(20S)-20-(N,N-dimethylamino)-3a-(senecoylamino)-5a-preg-16a-O-acetate]"	54612849	"NSC748901; NSC-748901; [(20S)-20-(N,N-dimethylamino)-3a-(senecoylamino)-5a-preg-16a-O-acetate]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748901	.	.	.	.	486.7	C30H50N2O3	58.6	849	6.8	35	1	4	6	"InChI=1S/C30H50N2O3/c1-18(2)15-27(34)31-22-11-13-29(5)21(16-22)9-10-23-24(29)12-14-30(6)25(23)17-26(35-20(4)33)28(30)19(3)32(7)8/h15,19,21-26,28H,9-14,16-17H2,1-8H3,(H,31,34)/t19 ,21 ,22-,23 ,24 ,25 ,26 ,28-,29-,30-/m0/s1"	CC([C@H]1C(CC2[C@@]1(CCC3C2CCC4[C@@]3(CC[C@@H](C4)NC(=O)C=C(C)C)C)C)OC(=O)C)N(C)C	FSJWRRSBFGZUNB-ONLHLXOLSA-N
DG67652	"[(20S)-20-(N,N-dimethylamino)-3a-(tigloylamino)-5a-preg-2a-ol]"	54612850	"NSC748902; NSC-748902; [(20S)-20-(N,N-dimethylamino)- 3a-(tigloylamino)-5a-preg-2a-ol]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748902	.	.	.	.	444.7	C28H48N2O2	52.6	744	6.4	32	2	3	4	"InChI=1S/C28H48N2O2/c1-17(2)14-26(32)29-24-15-19-8-9-20-22-11-10-21(18(3)30(6)7)27(22,4)13-12-23(20)28(19,5)16-25(24)31/h14,18-25,31H,8-13,15-16H2,1-7H3,(H,29,32)/t18 ,19 ,20 ,21-,22 ,23 ,24-,25+,27-,28+/m1/s1"	CC([C@H]1CCC2[C@@]1(CCC3C2CCC4[C@@]3(C[C@@H]([C@@H](C4)NC(=O)C=C(C)C)O)C)C)N(C)C	NNCXWVUZKIDBPI-BGNYLADVSA-N
DG67653	"[(20S)-20-(N,4a-diol]"	54612851	"NSC748903; [(20S)-20-(N,4a-diol]; NSC-748903"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748903	.	.	.	.	460.7	C28H48N2O3	72.8	781	5	33	3	4	4	"InChI=1S/C28H48N2O3/c1-8-16(2)26(33)29-24-23(31)15-28(5)21-13-14-27(4)19(17(3)30(6)7)11-12-20(27)18(21)9-10-22(28)25(24)32/h8,17-25,31-32H,9-15H2,1-7H3,(H,29,33)/b16-8+/t17 ,18 ,19-,20 ,21 ,22 ,23 ,24+,25 ,27-,28-/m1/s1"	C/C=C(\\C)/C(=O)N[C@H]1C(C[C@]2(C(C1O)CCC3C2CC[C@]4(C3CC[C@@H]4C(C)N(C)C)C)C)O	DYGGJZQCTQNOMK-XVFBAERVSA-N
DG67654	"[(20S)-20-(N, N-formylchonemorphine"	54612852	"NSC748904; NSC-748904; [(20S)-20-(N, N-formylchonemorphine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748904	.	.	.	.	374.6	C24H42N2O	32.299	563	5.9	27	1	2	3	"InChI=1S/C24H42N2O/c1-16(26(4)5)20-8-9-21-19-7-6-17-14-18(25-15-27)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-22H,6-14H2,1-5H3,(H,25,27)/t16 ,17 ,18-,19 ,20+,21 ,22 ,23-,24+/m0/s1"	CC([C@H]1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC[C@@H](C4)NC=O)C)C)N(C)C	ZROQUMPZTDXHBC-YBFNHMLTSA-N
DG67655	NSC748905	54612853	"N-[(3S,4R,10R,13S)-17-[1-(dimethylamino)ethyl]-4-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-methylbut-2-enamide; NSC748905; NSC-748905"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748905	.	.	.	.	442.7	C28H46N2O2	52.6	797	5.4	32	2	3	4	"InChI=1S/C28H46N2O2/c1-17(2)16-25(31)29-24-13-15-28(5)22-12-14-27(4)20(18(3)30(6)7)10-11-21(27)19(22)8-9-23(28)26(24)32/h10,16,18-19,21-24,26,32H,8-9,11-15H2,1-7H3,(H,29,31)/t18 ,19 ,21 ,22 ,23 ,24-,26+,27+,28+/m0/s1"	CC(C1=CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC[C@@H]([C@@H]4O)NC(=O)C=C(C)C)C)C)N(C)C	UBWMSSICUOCSHT-GRLQZXGISA-N
DG67656	NSC748906	54612854	"(3S,10R,13R,17S)-17-[1-(dimethylamino)ethyl]-N,N,10,13-tetramethyl-2,3,6,7,8,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-amine; NSC748906; NSC-748906"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748906	.	.	.	.	370.6	C25H42N2	6.5	645	5.1	27	0	2	3	"InChI=1S/C25H42N2/c1-17(26(4)5)21-10-11-22-20-9-8-18-16-19(27(6)7)12-14-24(18,2)23(20)13-15-25(21,22)3/h11,16-17,19-21,23H,8-10,12-15H2,1-7H3/t17 ,19-,20 ,21+,23 ,24-,25+/m0/s1"	CC([C@H]1CC=C2[C@@]1(CCC3C2CCC4=C[C@H](CC[C@]34C)N(C)C)C)N(C)C	JLDLXPZTQHZTBT-GRCPVTBZSA-N
DG67657	NSC748907	54612855	"N-[(10R,13S,17S)-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]formamide; NSC748907; NSC-748907"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748907	.	.	.	.	386.6	C24H38N2O2	49.4	686	5	28	1	3	3	"InChI=1S/C24H38N2O2/c1-15(26(4)5)17-8-9-18-16-6-7-20-22(28)21(25-14-27)11-13-24(20,3)19(16)10-12-23(17,18)2/h11,14-20H,6-10,12-13H2,1-5H3,(H,25,27)/t15 ,16 ,17-,18 ,19 ,20 ,23-,24-/m1/s1"	CC([C@H]1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC=C(C4=O)NC=O)C)C)N(C)C	BRKREXSOPCTPTI-FKRRDGGOSA-N
DG67658	NSC748908	54612856	"N-[(3S,10S,13S,17S)-10,13-dimethyl-17-[1-(methylamino)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-methylbenzamide; NSC748908; NSC-748908"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748908	.	.	.	.	450.7	C30H46N2O	32.299	716	7.3	33	1	2	4	"InChI=1S/C30H46N2O/c1-20(31-4)25-13-14-26-24-12-11-22-19-23(32(5)28(33)21-9-7-6-8-10-21)15-17-29(22,2)27(24)16-18-30(25,26)3/h6-10,20,22-27,31H,11-19H2,1-5H3/t20 ,22 ,23-,24 ,25+,26 ,27 ,29-,30+/m0/s1"	CC([C@H]1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC[C@@H](C4)N(C)C(=O)C5=CC=CC=C5)C)C)NC	NISGMKNSSUMSSN-LHUVOZIESA-N
DG67659	NSC748909	54612857	"(3S,10S,13S,17S)-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine; NSC748909; NSC-748909"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748909	.	.	.	.	346.6	C23H42N2	29.3	502	5.6	25	1	2	2	"InChI=1S/C23H42N2/c1-15(25(4)5)19-8-9-20-18-7-6-16-14-17(24)10-12-22(16,2)21(18)11-13-23(19,20)3/h15-21H,6-14,24H2,1-5H3/t15 ,16 ,17-,18 ,19+,20 ,21 ,22-,23+/m0/s1"	CC([C@H]1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC[C@@H](C4)N)C)C)N(C)C	MJGLREGOLPEPID-ISIQIBQJSA-N
DG67660	NSC748911	54612859	"N-[(3S,10R,13S,17S)-10,13-dimethyl-17-[1-(methylamino)ethyl]-4-oxo-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]-3-methylbut-2-enamide; epipachysamine-E-5-en-4-one; NSC748911; NSC-748911"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748911	.	.	.	.	426.6	C27H42N2O2	58.2	810	5.7	31	2	3	4	"InChI=1S/C27H42N2O2/c1-16(2)15-24(30)29-23-12-14-27(5)21-11-13-26(4)19(17(3)28-6)9-10-20(26)18(21)7-8-22(27)25(23)31/h8,15,17-21,23,28H,7,9-14H2,1-6H3,(H,29,30)/t17 ,18 ,19-,20 ,21 ,23+,26-,27-/m1/s1"	CC([C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4=O)NC(=O)C=C(C)C)C)C)NC	CLUQFEVBBPGSGA-BGHBZWCOSA-N
DG67661	"2,3-Dehydrosarcovagine D"	54612860	"2,3-Dehydrosarcovagine D; NSC748913; NSC-748913"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748913	.	.	.	.	438.6	C28H42N2O2	49.4	897	6	32	1	3	4	"InChI=1S/C28H42N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,10,14,18-22H,9,11-13,15-16H2,1-7H3,(H,29,32)/b17-8+/t18 ,19 ,20-,21 ,22 ,27-,28-/m1/s1"	C/C=C(\\C)/C(=O)NC1=CC[C@@]2(C3CC[C@@]4([C@H](CCC4C3CC=C2C1=O)C(C)N(C)C)C)C	ONOCTNWHGZQBIB-ZQPNADEUSA-N
DG67662	"5,10-dimethoxybenzo[g]quinolin-2(1H)-one"	54612875	"NSC750104; NSC-750104; 5,10-dimethoxybenzo[g]quinolin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750104	.	.	.	.	255.27	C15H13NO3	47.6	382	2.5	19	1	3	2	"InChI=1S/C15H13NO3/c1-18-14-9-5-3-4-6-10(9)15(19-2)13-11(14)7-8-12(17)16-13/h3-8H,1-2H3,(H,16,17)"	COC1=C2C=CC(=O)NC2=C(C3=CC=CC=C31)OC	UTSLBFCWJRODMT-UHFFFAOYSA-N
DG67663	"3,6-Dimethyoxy)benzylidineandrographolide"	54612897	"NSC747448; NSC-747448; 3,6-Dimethyoxy)benzylidineandrographolide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747448	.	.	.	.	498.6	C29H38O7	83.4	873	4	36	1	7	5	"InChI=1S/C29H38O7/c1-17-9-12-23-28(2,19(17)11-10-18-20(30)15-34-26(18)31)14-13-24-29(23,3)16-35-27(36-24)25-21(32-4)7-6-8-22(25)33-5/h6-8,10,19-20,23-24,27,30H,1,9,11-16H2,2-5H3/b18-10+"	CC12CCC3C(C1CCC(=C)C2C/C=C/4\\C(COC4=O)O)(COC(O3)C5=C(C=CC=C5OC)OC)C	BUVYDJYEFBHQJB-VCHYOVAHSA-N
DG67664	NSC747451	54612900	"4-[(E)-2-(6a,10b-dimethyl-8-methylidene-3-phenyl-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl)ethenyl]-2H-furan-5-one; NSC747451; NSC-747451"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747451	.	.	.	.	420.5	C27H32O4	44.8	791	5.2	31	0	4	3	"InChI=1S/C27H32O4/c1-18-9-12-22-26(2,21(18)11-10-19-14-16-29-24(19)28)15-13-23-27(22,3)17-30-25(31-23)20-7-5-4-6-8-20/h4-8,10-11,14,21-23,25H,1,9,12-13,15-17H2,2-3H3/b11-10+"	CC12CCC3C(C1CCC(=C)C2/C=C/C4=CCOC4=O)(COC(O3)C5=CC=CC=C5)C	HEEUHXCCISZILV-ZHACJKMWSA-N
DG67665	"3,19-(4-Acetamido)benzylidineandrographolide"	54612901	"NSC747452; NSC-747452; 3,19-(4-Acetamido)benzylidineandrographolide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747452	.	.	.	.	495.6	C29H37NO6	94.1	923	3.3	36	2	6	4	"InChI=1S/C29H37NO6/c1-17-5-12-24-28(3,22(17)11-10-21-23(32)15-34-26(21)33)14-13-25-29(24,4)16-35-27(36-25)19-6-8-20(9-7-19)30-18(2)31/h6-10,22-25,27,32H,1,5,11-16H2,2-4H3,(H,30,31)/b21-10+"	CC(=O)NC1=CC=C(C=C1)C2OCC3(C4CCC(=C)C(C4(CCC3O2)C)C/C=C/5\\C(COC5=O)O)C	JRUYXDLLFDTYPR-UFFVCSGVSA-N
DG67666	"2-Amino-4-(3,4-dimethoxyphenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile"	54612904	NSC749717; NSC-749717	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749717	.	.	.	.	400.4	C23H20N4O3	112	843	3.3	30	1	6	5	"InChI=1S/C23H20N4O3/c1-4-14-7-5-6-8-18(14)27-22(26)16(12-24)21(17(13-25)23(27)28)15-9-10-19(29-2)20(11-15)30-3/h5-11H,4,26H2,1-3H3"	CCC1=CC=CC=C1N2C(=C(C(=C(C2=O)C#N)C3=CC(=C(C=C3)OC)OC)C#N)N	CAKMKRNPAUFXFY-UHFFFAOYSA-N
DG67667	N-(5-chloro-2-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide	54612914	NSC748705; NSC-748705	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748705	.	.	.	.	421.8	C20H15ClF3N3O2	74.2	544	4.4	29	3	7	5	"InChI=1S/C20H15ClF3N3O2/c21-13-3-6-17(28)16(10-13)27-19(29)9-12-1-4-14(5-2-12)26-15-7-8-25-18(11-15)20(22,23)24/h1-8,10-11,28H,9H2,(H,25,26)(H,27,29)"	C1=CC(=CC=C1CC(=O)NC2=C(C=CC(=C2)Cl)O)NC3=CC(=NC=C3)C(F)(F)F	VEYADXGNJJCAGX-UHFFFAOYSA-N
DG67668	"4-N-[4-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2-N-(4-chlorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine"	54612921	NSC749382; NSC-749382	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749382	.	.	.	.	588.1	C32H26ClN9O	136	813	7.5	43	4	10	9	"InChI=1S/C32H26ClN9O/c1-43-26-17-9-21(10-18-26)28-19-27(38-29(34)39-28)20-7-13-24(14-8-20)36-31-40-30(35-23-5-3-2-4-6-23)41-32(42-31)37-25-15-11-22(33)12-16-25/h2-19H,1H3,(H2,34,38,39)(H3,35,36,37,40,41,42)"	COC1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)NC6=CC=C(C=C6)Cl)N	CFJDKTPJALLQTR-UHFFFAOYSA-N
DG67669	Ferric-taxol	54612932	Ferric-taxol; Fe(III)-taxol; NSC749908; NSC-749908	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749908	.	.	.	.	906.7	C47H48FeNO14	230	1800	.	63	1	14	9	"InChI=1S/C47H48NO14.Fe/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5;/h7-21,31-33,35-38,40H,22-24H2,1-6H3,(H,48,54);/q-3;+3/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+;/m0./s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)[O-])[O-])OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)[O-])C)OC(=O)C.[Fe+3]	DENRCSJSKWORLT-NOSCCTPQSA-N
DG67670	NSC749871	54612951	"1-Methyl-7-(phenylsulfonyl)-8-oxo-3,4,8,9-tetrahydro-3,9-diaza-5-thia-5H-cyclopenta[a]naphthalene-2-carboxylic acid ethyl ester; NSC749871; NSC-749871; 1-Methyl-7-(phenylsulfonyl)-8-oxo-3,4,8,9-tetrahydro-3,9-diaza-5-thia-5H-cyclopenta[a]naphthalene-2-carboxylic acid ethyl ester; Ethyl 9-methyl-2-oxo-3-(phenylsulfonyl)-1,6,7-tetrahydropyrrolo[3',2':4,5]thiopyrano[3,2-b]pyridine-8-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749871	.	.	.	.	430.5	C20H18N2O5S2	139	868	2.4	29	2	6	5	"InChI=1S/C20H18N2O5S2/c1-3-27-20(24)17-11(2)16-13(21-17)10-28-14-9-15(19(23)22-18(14)16)29(25,26)12-7-5-4-6-8-12/h4-9,21H,3,10H2,1-2H3,(H,22,23)"	CCOC(=O)C1=C(C2=C(N1)CSC3=C2NC(=O)C(=C3)S(=O)(=O)C4=CC=CC=C4)C	HRLLILZYWOTQJJ-UHFFFAOYSA-N
DG67671	"Ethyl 7,2,6,7-tetrahydropyrrolo[3',2':4,5]thiopyrano[3,2-b]pyridine-8-carboxylate"	54612952	"NSC749872; NSC-749872; Ethyl 7,2,6,7-tetrahydropyrrolo[3',2':4,5]thiopyrano[3,2-b]pyridine-8-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749872	.	.	.	.	444.5	C21H20N2O5S2	128	899	2.3	30	1	6	5	"InChI=1S/C21H20N2O5S2/c1-4-28-21(25)19-12(2)17-14(23(19)3)11-29-15-10-16(20(24)22-18(15)17)30(26,27)13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3,(H,22,24)"	CCOC(=O)C1=C(C2=C(N1C)CSC3=C2NC(=O)C(=C3)S(=O)(=O)C4=CC=CC=C4)C	JTDXQUZJNXBQRU-UHFFFAOYSA-N
DG67672	"8-Methyl-3-(phenylsulfonyl)-6,2':4,5]thiopyrano[3,2-b]pyridin-2(1H)-one"	54612954	"NSC749874; NSC-749874; 8-Methyl-3-(phenylsulfonyl)-6,2':4,5]thiopyrano[3,2-b]pyridin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749874	.	.	.	.	358.4	C17H14N2O3S2	113	715	1.9	24	2	4	2	"InChI=1S/C17H14N2O3S2/c1-10-7-12-13(18-10)9-23-14-8-15(17(20)19-16(12)14)24(21,22)11-5-3-2-4-6-11/h2-8,18H,9H2,1H3,(H,19,20)"	CC1=CC2=C(N1)CSC3=C2NC(=O)C(=C3)S(=O)(=O)C4=CC=CC=C4	VGNBTSFJHIYMJS-UHFFFAOYSA-N
DG67673	"N3-(6-methoxy-1,4,5-trimethoxyanilino)nicotinamide"	54612978	"SCHEMBL12478803; NSC748084; NSC-748084; N3-(6-methoxy-1,4,5-trimethoxyanilino)nicotinamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748084	.	.	.	.	466.5	C23H22N4O5S	132	632	4.8	33	2	9	8	"InChI=1S/C23H22N4O5S/c1-29-14-7-8-16-19(12-14)33-23(26-16)27-22(28)15-6-5-9-24-21(15)25-13-10-17(30-2)20(32-4)18(11-13)31-3/h5-12H,1-4H3,(H,24,25)(H,26,27,28)"	COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N=CC=C3)NC4=CC(=C(C(=C4)OC)OC)OC	QMVQZOPOAYGRAJ-UHFFFAOYSA-N
DG67674	6-(4-Ethylphenyl)-2-benzenesulfonamidepyridazine-3(2H)-one	54612980	NSC-747558; CHEMBL1947118; NSC747558; 6-(4-Ethylphenyl)-2-benzenesulfonamidepyridazine-3(2H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747558	.	.	.	.	355.4	C18H17N3O3S	101	650	2.4	25	1	5	4	"InChI=1S/C18H17N3O3S/c1-2-13-3-5-14(6-4-13)17-11-12-18(22)21(20-17)15-7-9-16(10-8-15)25(19,23)24/h3-12H,2H2,1H3,(H2,19,23,24)"	CCC1=CC=C(C=C1)C2=NN(C(=O)C=C2)C3=CC=C(C=C3)S(=O)(=O)N	SCVWZSCVSFMXEU-UHFFFAOYSA-N
DG67675	"1-[4-[2-[4-(5,6-Diphenyl-1,2,4-triazine-3-yl)piperazine-1-yl]-2-oxoethyl]piperazine-1-yl]-4-chlorobenzene"	54612995	"CHEMBL3343137; NSC749160; NSC-749160; 1-[4-[2-[4-(5,6-Diphenyl-1,2,4-triazine-3-yl)piperazine-1-yl]-2-oxoethyl]piperazine-1-yl]-4-chlorobenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749160	.	.	.	.	554.1	C31H32ClN7O	68.7	783	4.5	40	0	7	6	"InChI=1S/C31H32ClN7O/c32-26-11-13-27(14-12-26)37-17-15-36(16-18-37)23-28(40)38-19-21-39(22-20-38)31-33-29(24-7-3-1-4-8-24)30(34-35-31)25-9-5-2-6-10-25/h1-14H,15-23H2"	C1CN(CCN1CC(=O)N2CCN(CC2)C3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)Cl	KPSKRQKQQMAHFZ-UHFFFAOYSA-N
DG67676	"1-[4-[2-[4-(5,6-Diphenyl-1,2,4-triazine-3-yl)piperazine-1-yl]-2-oxoethyl]piperazine-1-yl]-4-methoxybenzene"	54612996	"CHEMBL3343136; NSC749161; NSC-749161; 1-[4-[2-[4-(5,6-Diphenyl-1,2,4-triazine-3-yl)piperazine-1-yl]-2-oxoethyl]piperazine-1-yl]-4-methoxybenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749161	.	.	.	.	549.7	C32H35N7O2	77.9	796	3.9	41	0	8	7	"InChI=1S/C32H35N7O2/c1-41-28-14-12-27(13-15-28)37-18-16-36(17-19-37)24-29(40)38-20-22-39(23-21-38)32-33-30(25-8-4-2-5-9-25)31(34-35-32)26-10-6-3-7-11-26/h2-15H,16-24H2,1H3"	COC1=CC=C(C=C1)N2CCN(CC2)CC(=O)N3CCN(CC3)C4=NC(=C(N=N4)C5=CC=CC=C5)C6=CC=CC=C6	VPGTZPMVDPYMFG-UHFFFAOYSA-N
DG67677	"1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone"	54613005	CHEMBL3343157; NSC749150; NSC-749150	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749150	.	.	.	.	618.6	C32H33Cl2N7O2	77.9	872	5.1	43	0	8	7	"InChI=1S/C32H33Cl2N7O2/c1-43-28-4-2-3-27(21-28)39-15-13-38(14-16-39)22-29(42)40-17-19-41(20-18-40)32-35-30(23-5-9-25(33)10-6-23)31(36-37-32)24-7-11-26(34)12-8-24/h2-12,21H,13-20,22H2,1H3"	COC1=CC=CC(=C1)N2CCN(CC2)CC(=O)N3CCN(CC3)C4=NC(=C(N=N4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl	HLSPGGPBIHDDCB-UHFFFAOYSA-N
DG67678	"1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanone"	54613006	CHEMBL3343160; NSC749151; NSC-749151	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749151	.	.	.	.	623	C31H30Cl3N7O	68.7	848	5.8	42	0	7	6	"InChI=1S/C31H30Cl3N7O/c32-24-5-1-22(2-6-24)29-30(23-3-7-25(33)8-4-23)36-37-31(35-29)41-19-17-40(18-20-41)28(42)21-38-13-15-39(16-14-38)27-11-9-26(34)10-12-27/h1-12H,13-21H2"	C1CN(CCN1CC(=O)N2CCN(CC2)C3=NC(=C(N=N3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl	OWBRIGFKHWBCHW-UHFFFAOYSA-N
DG67679	"1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone"	54613007	CHEMBL3343159; NSC749152; NSC-749152	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749152	.	.	.	.	618.6	C32H33Cl2N7O2	77.9	864	5.1	43	0	8	7	"InChI=1S/C32H33Cl2N7O2/c1-43-28-12-10-27(11-13-28)39-16-14-38(15-17-39)22-29(42)40-18-20-41(21-19-40)32-35-30(23-2-6-25(33)7-3-23)31(36-37-32)24-4-8-26(34)9-5-24/h2-13H,14-22H2,1H3"	COC1=CC=C(C=C1)N2CCN(CC2)CC(=O)N3CCN(CC3)C4=NC(=C(N=N4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl	NXJCEXUJDIZLLX-UHFFFAOYSA-N
DG67680	"2-Methoxy-3,9-dimethyl-6-phenyl-5,8-dihydropyrimido[4,5-e][1,4]diazepine-4,7-dione"	54613014	NSC749856; NSC-749856	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749856	.	.	.	.	314.34	C16H18N4O3	65.4	578	0.9	23	0	5	2	"InChI=1S/C16H18N4O3/c1-18-10-13(21)20(11-7-5-4-6-8-11)9-12-14(18)17-16(23-3)19(2)15(12)22/h4-8H,9-10H2,1-3H3"	CN1CC(=O)N(CC2=C1N=C(N(C2=O)C)OC)C3=CC=CC=C3	RHEGCRDCEABTMN-UHFFFAOYSA-N
DG67681	"6-cyclohexyl-3-methyl-2-methylsulfanyl-8-phenyl-8,9-dihydro-5H-pyrimido[4,5-e][1,4]diazepine-4,7-dione"	54613016	NSC749858; NSC-749858	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749858	.	.	.	.	398.5	C21H26N4O2S	90.3	693	3.2	28	1	5	3	"InChI=1S/C21H26N4O2S/c1-24-19(26)16-13-25(15-11-7-4-8-12-15)20(27)17(14-9-5-3-6-10-14)22-18(16)23-21(24)28-2/h3,5-6,9-10,15,17,22H,4,7-8,11-13H2,1-2H3"	CN1C(=O)C2=C(NC(C(=O)N(C2)C3CCCCC3)C4=CC=CC=C4)N=C1SC	PLNNVFXVIHTTRK-UHFFFAOYSA-N
DG67682	Endoxifen hydrochloride	54613017	"Endoxifen hydrochloride; Endoxifen HCl; 1032008-74-4; Z-Endoxifen hydrochloride; Endoxifen (hydrochloride); 1197194-41-4; UNII-308PA1L567; Endoxifen Z-Isomer Hydrochloride; 308PA1L567; 4-(1-(4-(2-(Methylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenol hydrochloride; 4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;hydrochloride; DTXSID10145698; BCP24689; XXB19441; HY-18719B; NSC750393; s7839; CCG-264674; CS-5915; NSC 750393; NSC-750393; 4-Hydroxy-N-desmethyl-tamoxifen, hydrochloride; A921819; Q27255933; (Z)-4-(1-(4-(2-(methylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenol hydrochloride; (Z)-4-(1-(4-(2-(methylamino)ethoxy)phenyl)-2-phenylbut-1-enyl)phenol hydrochloride; 4-(1-(4-(2-(Methylamino)ethoxy)phenyl)-2-phenylbut-1-enyl)phenol hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750393	.	.	.	.	409.9	C25H28ClNO2	41.5	467	.	29	3	3	8	"InChI=1S/C25H27NO2.ClH/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2;/h4-16,26-27H,3,17-18H2,1-2H3;1H/b25-24-;"	CC/C(=C(\\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3.Cl	RPFIMPDXTABYCN-BJFQDICYSA-N
DG67683	"7-(4-chlorophenyl)-1-methyl-3-(phenylsulfonyl)-1,6,7-tetrahydro-2H-pyrazolo[3,4-h]quinolin-2-one"	54613020	"CHEMBL3617933; NSC750759; NSC-750759; 7-(4-chlorophenyl)-1-methyl-3-(phenylsulfonyl)-1,6,7-tetrahydro-2H-pyrazolo[3,4-h]quinolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750759	.	.	.	.	451.9	C23H18ClN3O3S	80.6	896	3.5	31	0	4	3	"InChI=1S/C23H18ClN3O3S/c1-26-22-15(13-21(23(26)28)31(29,30)18-5-3-2-4-6-18)7-12-20-19(22)14-25-27(20)17-10-8-16(24)9-11-17/h2-6,8-11,13-14H,7,12H2,1H3"	CN1C2=C(CCC3=C2C=NN3C4=CC=C(C=C4)Cl)C=C(C1=O)S(=O)(=O)C5=CC=CC=C5	YHEDPIVULSUEES-UHFFFAOYSA-N
DG67684	"2-Methoxy-7-benzyl-3-(phenylsulfonyl)-6,4-h]quinoline"	54613023	"CHEMBL3617940; NSC750762; NSC-750762; 2-methoxy-7-benzyl-3-(phenylsulfonyl)-6,4-h]quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750762	.	.	.	.	431.5	C24H21N3O3S	82.5	699	3.9	31	0	5	5	"InChI=1S/C24H21N3O3S/c1-30-24-22(31(28,29)19-10-6-3-7-11-19)14-18-12-13-21-20(23(18)26-24)15-25-27(21)16-17-8-4-2-5-9-17/h2-11,14-15H,12-13,16H2,1H3"	COC1=C(C=C2CCC3=C(C2=N1)C=NN3CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5	BUDICWLKCLEBBD-UHFFFAOYSA-N
DG67685	NSC750038	54613025	"4-[(E)-2-[3-(4-chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one; NSC750038; NSC-750038"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750038	.	.	.	.	455	C27H31ClO4	44.8	826	5.8	32	0	4	3	"InChI=1S/C27H31ClO4/c1-17-4-11-22-26(2,21(17)10-7-18-13-15-30-24(18)29)14-12-23-27(22,3)16-31-25(32-23)19-5-8-20(28)9-6-19/h5-10,13,21-23,25H,1,4,11-12,14-16H2,2-3H3/b10-7+"	CC12CCC3C(C1CCC(=C)C2/C=C/C4=CCOC4=O)(COC(O3)C5=CC=C(C=C5)Cl)C	WJKGSOWCSCMLPC-JXMROGBWSA-N
DG67686	NSC750039	54613026	"4-[(E)-2-[3-(3-chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one; NSC750039; NSC-750039"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750039	.	.	.	.	455	C27H31ClO4	44.8	834	5.8	32	0	4	3	"InChI=1S/C27H31ClO4/c1-17-7-10-22-26(2,21(17)9-8-18-12-14-30-24(18)29)13-11-23-27(22,3)16-31-25(32-23)19-5-4-6-20(28)15-19/h4-6,8-9,12,15,21-23,25H,1,7,10-11,13-14,16H2,2-3H3/b9-8+"	CC12CCC3C(C1CCC(=C)C2/C=C/C4=CCOC4=O)(COC(O3)C5=CC(=CC=C5)Cl)C	ZNLUOSIDRBVVJZ-CMDGGOBGSA-N
DG67687	NSC750040	54613027	"4-[(E)-2-[3-(2-chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one; NSC750040; NSC-750040"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750040	.	.	.	.	455	C27H31ClO4	44.8	834	5.8	32	0	4	3	"InChI=1S/C27H31ClO4/c1-17-8-11-22-26(2,20(17)10-9-18-13-15-30-24(18)29)14-12-23-27(22,3)16-31-25(32-23)19-6-4-5-7-21(19)28/h4-7,9-10,13,20,22-23,25H,1,8,11-12,14-16H2,2-3H3/b10-9+"	CC12CCC3C(C1CCC(=C)C2/C=C/C4=CCOC4=O)(COC(O3)C5=CC=CC=C5Cl)C	MYDGCSRWEUYRFP-MDZDMXLPSA-N
DG67688	PU-H71 (hydrochloride)	54613037	"PU-H71 (hydrochloride); UNII-WHT95Y619Y; WHT95Y619Y; Pu-H-71 monohydrochloride; Zelavespib monohydrochloride; PU-H71.2HCl; HY-11038B; NSC750424; 8-(6-Iodo-benzo[1, dihydrochloride; NSC-750424; 2095432-24-7; 9H-Purine-9-propanamine, 6-amino-8-((6-iodo-1,3-benzodioxol-5-yl)thio)-N-(1-methylethyl)-, hydrochloride (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750424	.	.	.	.	548.8	C18H22ClIN6O2S	125	521	.	29	3	8	7	"InChI=1S/C18H21IN6O2S.ClH/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13;/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23);1H"	CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)N.Cl	HUAKDRZHOBLKGD-UHFFFAOYSA-N
DG67689	(2Z)-2-[(4-hydroxyphenyl)methylidene]-5-methoxy-1-benzofuran-3-one	54613041	NSC747169; NSC-747169	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747169	.	.	.	.	268.26	C16H12O4	55.8	395	3.2	20	1	4	2	"InChI=1S/C16H12O4/c1-19-12-6-7-14-13(9-12)16(18)15(20-14)8-10-2-4-11(17)5-3-10/h2-9,17H,1H3/b15-8-"	COC1=CC2=C(C=C1)O/C(=C\\C3=CC=C(C=C3)O)/C2=O	SCNLPKXECAMANX-NVNXTCNLSA-N
DG67690	"2-Amino-4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5,6-dihydropyrido[3,4-d]pyrimidin-8-one"	54613055	NSC750003; NSC-750003	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750003	.	.	.	.	348.78	C16H17ClN4O3	90.6	455	2.1	24	1	6	4	"InChI=1S/C16H17ClN4O3/c1-23-10-4-3-9(12(7-10)24-2)8-21-6-5-11-13(15(21)22)19-16(18)20-14(11)17/h3-4,7H,5-6,8H2,1-2H3,(H2,18,19,20)"	COC1=CC(=C(C=C1)CN2CCC3=C(C2=O)N=C(N=C3Cl)N)OC	QMBRWDAWMADZMK-UHFFFAOYSA-N
DG67691	"2-Amino-7-[(2,4-dimethoxyphenyl)methyl]-4-phenylsulfanyl-5,6-dihydropyrido[3,4-d]pyrimidin-8-one"	54613057	NSC750343; NSC-750343	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750343	.	.	.	.	422.5	C22H22N4O3S	116	577	3.5	30	1	7	6	"InChI=1S/C22H22N4O3S/c1-28-15-9-8-14(18(12-15)29-2)13-26-11-10-17-19(21(26)27)24-22(23)25-20(17)30-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H2,23,24,25)"	COC1=CC(=C(C=C1)CN2CCC3=C(C2=O)N=C(N=C3SC4=CC=CC=C4)N)OC	PLJMELZAMXKOQR-UHFFFAOYSA-N
DG67692	"(E)-N-[(E)-benzylideneamino]-3-(2,5-dimethoxyphenyl)prop-2-enamide"	54613059	CHEMBL2296406; NSC750915; NSC-750915	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750915	.	.	.	.	310.3	C18H18N2O3	59.9	417	3.2	23	1	4	6	"InChI=1S/C18H18N2O3/c1-22-16-9-10-17(23-2)15(12-16)8-11-18(21)20-19-13-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,20,21)/b11-8+,19-13+"	COC1=CC(=C(C=C1)OC)/C=C/C(=O)N/N=C/C2=CC=CC=C2	LMHHCUGAQMREDD-UQNIYPKTSA-N
DG67693	"(E)-N-[(E)-(4-chlorophenyl)methylideneamino]-3-(2,5-dimethoxyphenyl)prop-2-enamide"	54613060	CHEMBL2295982; NSC750916; NSC-750916	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750916	.	.	.	.	344.8	C18H17ClN2O3	59.9	448	3.8	24	1	4	6	"InChI=1S/C18H17ClN2O3/c1-23-16-8-9-17(24-2)14(11-16)5-10-18(22)21-20-12-13-3-6-15(19)7-4-13/h3-12H,1-2H3,(H,21,22)/b10-5+,20-12+"	COC1=CC(=C(C=C1)OC)/C=C/C(=O)N/N=C/C2=CC=C(C=C2)Cl	CIGSBCIJOLHRPQ-XWISFQRESA-N
DG67694	"methyl 5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate"	54613075	NSC750395; NSC-750395	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750395	.	.	.	.	282.29	C16H14N2O3	64.2	369	3.1	21	1	4	4	"InChI=1S/C16H14N2O3/c1-20-13-5-3-10(4-6-13)12-7-11-8-14(16(19)21-2)18-15(11)17-9-12/h3-9H,1-2H3,(H,17,18)"	COC1=CC=C(C=C1)C2=CN=C3C(=C2)C=C(N3)C(=O)OC	HXTQDQCKEPFMPB-UHFFFAOYSA-N
DG67695	"6-(4-Chlorophenyl)-3-(2-piperazin-1-ylpyridin-4-yl)pyrazolo[1,5-a]pyrimidine"	54613079	NSC750399; NSC-750399	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750399	.	.	.	.	390.9	C21H19ClN6	58.4	507	2.9	28	1	5	3	"InChI=1S/C21H19ClN6/c22-18-3-1-15(2-4-18)17-12-25-21-19(13-26-28(21)14-17)16-5-6-24-20(11-16)27-9-7-23-8-10-27/h1-6,11-14,23H,7-10H2"	C1CN(CCN1)C2=NC=CC(=C2)C3=C4N=CC(=CN4N=C3)C5=CC=C(C=C5)Cl	ZLHIOMMMFXGTLQ-UHFFFAOYSA-N
DG67696	"7-Benzyl-5,4-e]isoindole"	54613102	"7-benzyl-5,4-e]isoindole; CHEMBL3883803; NSC748253; NSC-748253"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748253	.	.	.	.	250.29	C16H14N2O	31	316	2.7	19	0	2	2	"InChI=1S/C16H14N2O/c1-2-4-12(5-3-1)9-18-10-14-7-6-13-8-17-19-16(13)15(14)11-18/h1-5,8,10-11H,6-7,9H2"	C1CC2=C(C3=CN(C=C31)CC4=CC=CC=C4)ON=C2	FCEPTYLBEZWNAC-UHFFFAOYSA-N
DG67697	"7-(4-Methoxybenzyl)-5,4-e]isoindole"	54613103	"CHEMBL3885349; NSC748254; 7-(4-methoxybenzyl)-5,4-e]isoindole; NSC-748254"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748254	.	.	.	.	280.32	C17H16N2O2	40.2	357	2.6	21	0	3	3	"InChI=1S/C17H16N2O2/c1-20-15-6-2-12(3-7-15)9-19-10-14-5-4-13-8-18-21-17(13)16(14)11-19/h2-3,6-8,10-11H,4-5,9H2,1H3"	COC1=CC=C(C=C1)CN2C=C3CCC4=C(C3=C2)ON=C4	JRGCIIGJAKZUSO-UHFFFAOYSA-N
DG67698	"7-Benzyl-6-phenyl-5,4-e]isoindole"	54613108	"7-benzyl-6-phenyl-5,4-e]isoindole; NSC748260; NSC-748260"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748260	.	.	.	.	326.4	C22H18N2O	31	443	4.3	25	0	2	3	"InChI=1S/C22H18N2O/c1-3-7-16(8-4-1)14-24-15-20-19(12-11-18-13-23-25-22(18)20)21(24)17-9-5-2-6-10-17/h1-10,13,15H,11-12,14H2"	C1CC2=C(N(C=C2C3=C1C=NO3)CC4=CC=CC=C4)C5=CC=CC=C5	JCSOLOWWVQJVRI-UHFFFAOYSA-N
DG67699	"7-(4-Methoxybenzyl)-6-phenyl-5,4-e]isoindole"	54613109	"CHEMBL4452973; NSC748261; NSC-748261; 7-(4-methoxybenzyl)-6-phenyl-5,4-e]isoindole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748261	.	.	.	.	356.4	C23H20N2O2	40.2	487	4.3	27	0	3	4	"InChI=1S/C23H20N2O2/c1-26-19-10-7-16(8-11-19)14-25-15-21-20(12-9-18-13-24-27-23(18)21)22(25)17-5-3-2-4-6-17/h2-8,10-11,13,15H,9,12,14H2,1H3"	COC1=CC=C(C=C1)CN2C=C3C(=C2C4=CC=CC=C4)CCC5=C3ON=C5	IHQWCULBSHFACX-UHFFFAOYSA-N
DG67700	"1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone"	54613114	CHEMBL3343147; NSC749145; NSC-749145	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749145	.	.	.	.	579.7	C33H37N7O3	87.2	843	3.9	43	0	9	8	"InChI=1S/C33H37N7O3/c1-42-28-12-8-25(9-13-28)31-32(26-10-14-29(43-2)15-11-26)35-36-33(34-31)40-22-20-39(21-23-40)30(41)24-37-16-18-38(19-17-37)27-6-4-3-5-7-27/h3-15H,16-24H2,1-2H3"	COC1=CC=C(C=C1)C2=C(N=NC(=N2)N3CCN(CC3)C(=O)CN4CCN(CC4)C5=CC=CC=C5)C6=CC=C(C=C6)OC	ZWLWZUGHMCTDGR-UHFFFAOYSA-N
DG67701	"1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanone"	54613115	CHEMBL3343152; NSC749146; NSC-749146	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749146	.	.	.	.	614.1	C33H36ClN7O3	87.2	879	4.5	44	0	9	8	"InChI=1S/C33H36ClN7O3/c1-43-28-11-3-24(4-12-28)31-32(25-5-13-29(44-2)14-6-25)36-37-33(35-31)41-21-19-40(20-22-41)30(42)23-38-15-17-39(18-16-38)27-9-7-26(34)8-10-27/h3-14H,15-23H2,1-2H3"	COC1=CC=C(C=C1)C2=C(N=NC(=N2)N3CCN(CC3)C(=O)CN4CCN(CC4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)OC	ATKCICUHWIRZCD-UHFFFAOYSA-N
DG67702	"1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone"	54613116	CHEMBL3343151; NSC749147; NSC-749147	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749147	.	.	.	.	609.7	C34H39N7O4	96.4	891	3.8	45	0	10	9	"InChI=1S/C34H39N7O4/c1-43-28-10-4-25(5-11-28)32-33(26-6-12-29(44-2)13-7-26)36-37-34(35-32)41-22-20-40(21-23-41)31(42)24-38-16-18-39(19-17-38)27-8-14-30(45-3)15-9-27/h4-15H,16-24H2,1-3H3"	COC1=CC=C(C=C1)C2=C(N=NC(=N2)N3CCN(CC3)C(=O)CN4CCN(CC4)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC	AVFSPFLOCZOTLX-UHFFFAOYSA-N
DG67703	"1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone"	54613117	CHEMBL3343154; NSC749148; NSC-749148	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749148	.	.	.	.	588.5	C31H31Cl2N7O	68.7	815	5.2	41	0	7	6	"InChI=1S/C31H31Cl2N7O/c32-25-10-6-23(7-11-25)29-30(24-8-12-26(33)13-9-24)35-36-31(34-29)40-20-18-39(19-21-40)28(41)22-37-14-16-38(17-15-37)27-4-2-1-3-5-27/h1-13H,14-22H2"	C1CN(CCN1CC(=O)N2CCN(CC2)C3=NC(=C(N=N3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C6=CC=CC=C6	OXJLPYLXJMWIGV-UHFFFAOYSA-N
DG67704	NSC748289	54613121	"(10S)-3,10-dimethyl-8-methylsulfanyl-4-phenyl-5-(3-piperidin-1-ylpropyl)-5,7,9,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one; NSC748289; NSC-748289"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748289	.	.	.	.	463.6	C26H33N5OS	78.5	773	4.1	33	0	4	6	"InChI=1S/C26H33N5OS/c1-18-17-21(32)27-25-22-19(2)23(20-11-6-4-7-12-20)30(24(22)28-26(33-3)31(18)25)16-10-15-29-13-8-5-9-14-29/h4,6-7,11-12,18H,5,8-10,13-17H2,1-3H3/t18-/m0/s1"	C[C@H]1CC(=O)N=C2N1C(=NC3=C2C(=C(N3CCCN4CCCCC4)C5=CC=CC=C5)C)SC	XWYUCFJURDRGHK-SFHVURJKSA-N
DG67705	2-(Carboxy proxyl)-decyltriphenylphosphonium bromide	54613125	NSC748953; NSC-748953; 2-(carboxy proxyl)-decyltriphenylphosphonium bromide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748953	.	.	.	.	682.7	C38H53BrNO3P	49.8	765	.	44	1	5	17	"InChI=1S/C38H53NO3P.BrH/c1-37(2)31-35(38(3,4)39(37)41)36(40)42-29-21-10-8-6-5-7-9-11-22-30-43(32-23-15-12-16-24-32,33-25-17-13-18-26-33)34-27-19-14-20-28-34;/h12-20,23-28,35,41H,5-11,21-22,29-31H2,1-4H3;1H/q+1;/p-1"	CC1(CC(C(N1O)(C)C)C(=O)OCCCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]	NTGAQMJUWCLECA-UHFFFAOYSA-M
DG67706	"bis[4-morpholino-2,3,5-triazine] iron(III) complex"	54613128	"NSC749910; NSC-749910; bis[4-morpholino-2,3,5-triazine] iron(III) complex"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749910	.	.	.	.	566.4	C18H30FeN12O6+	185	624	.	37	1	17	2	"InChI=1S/C9H15N6O3.C9H14N6O3.Fe/c2*1-13(16)7-10-8(14(2)17)12-9(11-7)15-3-5-18-6-4-15;/h16H,3-6H2,1-2H3;3-6H2,1-2H3;/q-1;-2;+3/p+1"	CN(C1=NC(=NC(=N1)N2CCOCC2)N(C)[O-])[OH2+].CN(C1=NC(=NC(=N1)N2CCOCC2)N(C)[O-])[O-].[Fe+3]	YHZYXLLFJJIDSK-UHFFFAOYSA-O
DG67707	[(1H-benzimidazole-2-yl)dithio]-9H-purine	54613148	NSC750485; NSC-750485; [(1H-benzimidazole-2-yl)dithio]-9H-purine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750485	.	.	.	.	300.4	C12H8N6S2	134	346	2.4	20	2	6	3	"InChI=1S/C12H8N6S2/c1-2-4-8-7(3-1)15-11(16-8)19-20-12-17-9-5-13-6-14-10(9)18-12/h1-6H,(H,15,16)(H,13,14,17,18)"	C1=CC=C2C(=C1)NC(=N2)SSC3=NC4=NC=NC=C4N3	LLPQTRKWNFVTKX-UHFFFAOYSA-N
DG67708	"N'-{2-[2-(4-Methoxy-phenyl)-vinyl]quinazolin-4-yl}-N,3-diamine hydrochloride"	54613149	"NSC749297; NSC-749297; N'-{2-[2-(4-Methoxy-phenyl)-vinyl]quinazolin-4-yl}-N,3-diamine hydrochloride; N'-[2-[(e)-2-(4-methoxyphenyl)ethenyl]-quinazolin-4-yl]-N,N-dimethylpropane-1,3-diamine hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749297	.	.	.	.	398.9	C22H27ClN4O	50.3	448	.	28	2	5	8	"InChI=1S/C22H26N4O.ClH/c1-26(2)16-6-15-23-22-19-7-4-5-8-20(19)24-21(25-22)14-11-17-9-12-18(27-3)13-10-17;/h4-5,7-14H,6,15-16H2,1-3H3,(H,23,24,25);1H/b14-11+;"	CN(C)CCCNC1=NC(=NC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)OC.Cl	NQBFEPBHORUBNS-JHGYPSGKSA-N
DG67709	"4-[N-sulfamoyl-3,5-bis(trifluoromethyl)anilino]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine"	54613153	NSC750774; NSC-750774	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750774	.	.	.	.	549.5	C21H20F9N3O2S	75	804	5.1	36	1	14	5	"InChI=1S/C21H20F9N3O2S/c22-19(23,24)14-3-1-13(2-4-14)12-32-7-5-17(6-8-32)33(36(31,34)35)18-10-15(20(25,26)27)9-16(11-18)21(28,29)30/h1-4,9-11,17H,5-8,12H2,(H2,31,34,35)"	C1CN(CCC1N(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)S(=O)(=O)N)CC3=CC=C(C=C3)C(F)(F)F	WQKNWHNZAYMWQL-UHFFFAOYSA-N
DG67710	"2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]acetamide"	54613168	NSC750842; NSC-750842	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750842	.	.	.	.	451	C22H15ClN4OS2	124	614	6	30	2	5	5	"InChI=1S/C22H15ClN4OS2/c23-15-11-13(9-10-14(15)21-25-18-7-3-4-8-19(18)30-21)24-20(28)12-29-22-26-16-5-1-2-6-17(16)27-22/h1-11H,12H2,(H,24,28)(H,26,27)"	C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=CC(=C(C=C3)C4=NC5=CC=CC=C5S4)Cl	LSNDZZLBLKNDEI-UHFFFAOYSA-N
DG67711	"5-Methyl-3-(2-(pyridin-2ylmethyl)hydrazinyl)-5H-[1,4]triazino[5,6-b]indole, trihydrochloride"	54613170	"NSC751286; NSC-751286; WA007-00; 5-Methyl-3-(2-(pyridin-2ylmethyl)hydrazinyl)-5H-[1,4]triazino[5,6-b]indole, trihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751286	.	.	.	.	341.8	C16H16ClN7	80.6	393	.	24	3	6	4	"InChI=1S/C16H15N7.ClH/c1-23-13-8-3-2-7-12(13)14-15(23)19-16(22-20-14)21-18-10-11-6-4-5-9-17-11;/h2-9,18H,10H2,1H3,(H,19,21,22);1H"	CN1C2=CC=CC=C2C3=C1N=C(N=N3)NNCC4=CC=CC=N4.Cl	MYXLKMPLCKDCEX-UHFFFAOYSA-N
DG67712	(E)-3-(benzenesulfonyl)-4-(2-phenyl-1H-indol-3-yl)but-3-en-2-one	54613201	CHEMBL3617158; NSC749023; NSC-749023	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749023	.	.	.	.	401.5	C24H19NO3S	75.4	711	4.8	29	1	3	5	"InChI=1S/C24H19NO3S/c1-17(26)23(29(27,28)19-12-6-3-7-13-19)16-21-20-14-8-9-15-22(20)25-24(21)18-10-4-2-5-11-18/h2-16,25H,1H3/b23-16+"	CC(=O)/C(=C\\C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)/S(=O)(=O)C4=CC=CC=C4	JJQIPGIVCYFALT-XQNSMLJCSA-N
DG67713	(E)-2-(benzenesulfonyl)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-en-1-one	54613202	CHEMBL3617162; NSC749025; NSC-749025	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749025	.	.	.	.	463.5	C29H21NO3S	75.4	826	6.5	34	1	3	6	"InChI=1S/C29H21NO3S/c31-29(22-14-6-2-7-15-22)27(34(32,33)23-16-8-3-9-17-23)20-25-24-18-10-11-19-26(24)30-28(25)21-12-4-1-5-13-21/h1-20,30H/b27-20+"	C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)/C=C(\\C(=O)C4=CC=CC=C4)/S(=O)(=O)C5=CC=CC=C5	ZQMSEHYDJXANGC-NHFJDJAPSA-N
DG67714	ethyl (E)-2-(4-chlorobenzoyl)-3-(2-phenyl-1H-indol-3-yl)prop-2-enoate	54613203	CHEMBL3617163; NSC749029; NSC-749029	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749029	.	.	.	.	429.9	C26H20ClNO3	59.2	664	6.5	31	1	3	7	"InChI=1S/C26H20ClNO3/c1-2-31-26(30)22(25(29)18-12-14-19(27)15-13-18)16-21-20-10-6-7-11-23(20)28-24(21)17-8-4-3-5-9-17/h3-16,28H,2H2,1H3/b22-16+"	CCOC(=O)/C(=C/C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)/C(=O)C4=CC=C(C=C4)Cl	GTNFSOYORAFDID-CJLVFECKSA-N
DG67715	[6-(4-Chlorophenyl)-4-hydroxy-4-phenyloxan-2-yl]methyl thiocyanate	54613214	NSC750289; NSC-750289	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750289	.	.	.	.	359.9	C19H18ClNO2S	78.6	454	4.2	24	1	4	4	"InChI=1S/C19H18ClNO2S/c20-16-8-6-14(7-9-16)18-11-19(22,15-4-2-1-3-5-15)10-17(23-18)12-24-13-21/h1-9,17-18,22H,10-12H2"	C1C(OC(CC1(C2=CC=CC=C2)O)C3=CC=C(C=C3)Cl)CSC#N	FZAPPHMXVLWNFB-UHFFFAOYSA-N
DG67716	"(E)-3-(2-methyl-6-(thiophen-2-yl)imidazo[2,4,5-trimethoxyphenyl)prop-2-en-1-one"	54613218	"NSC750744; NSC-750744; (E)-3-(2-methyl-6-(thiophen-2-yl)imidazo[2,4,5-trimethoxyphenyl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750744	.	.	.	.	440.5	C22H20N2O4S2	119	622	5.4	30	0	7	7	"InChI=1S/C22H20N2O4S2/c1-13-12-24-15(20(23-22(24)30-13)19-6-5-9-29-19)7-8-16(25)14-10-17(26-2)21(28-4)18(11-14)27-3/h5-12H,1-4H3/b8-7+"	CC1=CN2C(=C(N=C2S1)C3=CC=CS3)/C=C/C(=O)C4=CC(=C(C(=C4)OC)OC)OC	FQDIUBNHGMVVAB-BQYQJAHWSA-N
DG67717	"1,5-bis[4-(N-butylamidino)phenoxy]-3-tiapentane dihydrochloride"	54613223	"CHEMBL3287381; NSC750501; NSC-750501; 1,5-bis[4-(N-butylamidino)phenoxy]-3-tiapentane dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750501	.	.	.	.	507.1	C26H39ClN4O2S	121	509	.	34	3	5	16	"InChI=1S/C26H38N4O2S.ClH/c1-3-5-15-29-25(27)21-7-11-23(12-8-21)31-17-19-33-20-18-32-24-13-9-22(10-14-24)26(28)30-16-6-4-2;/h7-14H,3-6,15-20H2,1-2H3,(H2,27,29)(H2,28,30);1H"	CCCCN=C(C1=CC=C(C=C1)OCCSCCOC2=CC=C(C=C2)C(=NCCCC)N)N.Cl	WBDRXGMNLULVFR-UHFFFAOYSA-N
DG67718	"2,4,5-trimethoxyphenyl)-1-(2-naphtyl)-1-desoxy-3.4:6.7-di-O-isopropylidene-L-glucohept-1-enitol"	54613227	"NSC750870; NSC-750870; 2,4,5-trimethoxyphenyl)-1-(2-naphtyl)-1-desoxy-3.4:6.7-di-O-isopropylidene-L-glucohept-1-enitol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750870	.	.	.	.	548.6	C32H36O8	73.8	918	5.6	40	0	8	6	"InChI=1S/C32H36O8/c1-31(2)36-17-24(38-31)27-29-30(40-32(3,4)39-29)28(37-27)25(20-13-12-18-10-8-9-11-19(18)14-20)21-15-22(33-5)26(35-7)23(16-21)34-6/h8-16,24,27,29-30H,17H2,1-7H3/b28-25+/t24-,27+,29-,30+/m1/s1"	CC1(OC[C@@H](O1)[C@H]2[C@@H]3[C@H](/C(=C(/C4=CC5=CC=CC=C5C=C4)\\C6=CC(=C(C(=C6)OC)OC)OC)/O2)OC(O3)(C)C)C	IQQFQJCQWFEBBU-BBYVIBLPSA-N
DG67719	"2,8]Phenanthroline-1,3,6,8-tetraone bis tosylate salt"	54613234	"NSC750892; NSC-750892; 2,8]phenanthroline-1,3,6,8-tetraone bis tosylate salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750892	.	.	.	.	764.8	C41H40N4O9S	180	1150	.	55	3	11	13	"InChI=1S/C34H32N4O6.C7H8O3S/c1-43-27-9-5-3-7-21(27)19-35-15-17-37-31(39)23-11-13-25-30-26(14-12-24(29(23)30)32(37)40)34(42)38(33(25)41)18-16-36-20-22-8-4-6-10-28(22)44-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-14,35-36H,15-20H2,1-2H3;2-5H,1H3,(H,8,9,10)"	CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=CC=C1CNCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCNCC6=CC=CC=C6OC)C2=O	UGTQQMWDKQVUJJ-UHFFFAOYSA-N
DG67720	NSC750034	54613248	"[(4E)-4-[2-[3-(2-bromophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethylidene]-5-oxooxolan-3-yl] acetate; NSC750034; NSC-750034"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750034	.	.	.	.	559.5	C29H35BrO6	71.1	931	5.4	36	0	6	5	"InChI=1S/C29H35BrO6/c1-17-9-12-24-28(3,21(17)11-10-20-23(35-18(2)31)15-33-26(20)32)14-13-25-29(24,4)16-34-27(36-25)19-7-5-6-8-22(19)30/h5-8,10,21,23-25,27H,1,9,11-16H2,2-4H3/b20-10+"	CC(=O)OC\\1COC(=O)/C1=C/CC2C(=C)CCC3C2(CCC4C3(COC(O4)C5=CC=CC=C5Br)C)C	HUAGMQRJUCSXRC-KEBDBYFISA-N
DG67721	"4-[4-(Diethylamino)phenyl]-2-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile"	54613256	NSC748668; NSC-748668	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748668	.	.	.	.	502.6	C29H34N4O4	80.1	715	4.7	37	0	8	9	"InChI=1S/C29H34N4O4/c1-6-32(7-2)22-10-8-20(9-11-22)23-18-25(21-16-26(34-3)28(36-5)27(17-21)35-4)31-29(24(23)19-30)33-12-14-37-15-13-33/h8-11,16-18H,6-7,12-15H2,1-5H3"	CCN(CC)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N3CCOCC3)C4=CC(=C(C(=C4)OC)OC)OC	XUQAUNXRYZECGE-UHFFFAOYSA-N
DG67722	"3-Acetoxy-2',4'-dimethoxy-5'-prenylchalcone"	54613272	"NSC749210; NSC-749210; 3-Acetoxy-2',4'-dimethoxy-5'-prenylchalcone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749210	.	.	.	.	394.5	C24H26O5	61.8	604	5.3	29	0	5	9	"InChI=1S/C24H26O5/c1-16(2)9-11-19-14-21(24(28-5)15-23(19)27-4)22(26)12-10-18-7-6-8-20(13-18)29-17(3)25/h6-10,12-15H,11H2,1-5H3/b12-10+"	CC(=CCC1=CC(=C(C=C1OC)OC)C(=O)/C=C/C2=CC(=CC=C2)OC(=O)C)C	AAGSJGOTYGEMQY-ZRDIBKRKSA-N
DG67723	NSC751281	54613300	"[(1S,4R,8R,10Z,12R)-11-[(3-acetyloxy-4,5-dihydroxyoxan-2-yl)oxymethyl]-12-hydroxy-1,5-dimethyl-8-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-5,10,13-trien-2-yl] (E)-3-(1-methylimidazol-4-yl)prop-2-enoate; NSC751281; NSC-751281"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751281	.	.	.	.	642.7	C34H46N2O10	159	1260	1.1	46	3	11	10	"InChI=1S/C34H46N2O10/c1-19(2)24-9-7-20(3)25-14-28(45-29(39)10-8-23-15-36(6)18-35-23)33(5)11-12-34(41,46-33)22(13-26(24)25)16-42-32-31(44-21(4)37)30(40)27(38)17-43-32/h7-8,10-13,15,18-19,24-28,30-32,38,40-41H,9,14,16-17H2,1-6H3/b10-8+,22-13-/t24-,25+,26 ,27 ,28 ,30 ,31 ,32 ,33+,34-/m1/s1"	CC1=CC[C@@H](C/2[C@H]1CC([C@@]3(C=C[C@@](O3)(/C(=C2)/COC4C(C(C(CO4)O)O)OC(=O)C)O)C)OC(=O)/C=C/C5=CN(C=N5)C)C(C)C	WRPLJTYNAMMOEE-MIVNFNTKSA-N
DG67724	"3-(6/7-Trifluoro-3-methyl-1,4,5-trimethoxy-phenyl)-propenone"	54613307	"NSC751152; NSC-751152; 3-(6/7-trifluoro-3-methyl-1,4,5-trimethoxy-phenyl)-propenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751152	.	.	.	.	464.4	C22H19F3N2O6	91.1	800	2.9	33	0	10	6	"InChI=1S/C22H19F3N2O6/c1-12-15(27(30)17-11-14(22(23,24)25)5-6-16(17)26(12)29)7-8-18(28)13-9-19(31-2)21(33-4)20(10-13)32-3/h5-11H,1-4H3/b8-7+"	CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)C(F)(F)F)/C=C/C(=O)C3=CC(=C(C(=C3)OC)OC)OC	HYFFCABIVJHXCI-BQYQJAHWSA-N
DG67725	"[5-Amino-3-(2-methoxyphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone"	54613334	NSC748266; NSC-748266	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748266	.	.	.	.	383.4	C20H21N3O5	97.8	508	3.4	28	1	7	7	"InChI=1S/C20H21N3O5/c1-25-14-8-6-5-7-13(14)23-11-22-20(21)17(23)18(24)12-9-15(26-2)19(28-4)16(10-12)27-3/h5-11H,21H2,1-4H3"	COC1=CC=CC=C1N2C=NC(=C2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)N	CWYDNXXHKXLXIU-UHFFFAOYSA-N
DG67726	"2-Morpholin-4-yl-4-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile"	54613336	NSC748707; NSC-748707	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748707	.	.	.	.	437.5	C23H23N3O4S	105	611	3.6	31	0	8	6	"InChI=1S/C23H23N3O4S/c1-27-19-11-15(12-20(28-2)22(19)29-3)18-13-16(21-5-4-10-31-21)17(14-24)23(25-18)26-6-8-30-9-7-26/h4-5,10-13H,6-9H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2=NC(=C(C(=C2)C3=CC=CS3)C#N)N4CCOCC4	YSXFMKXQJQSBPM-UHFFFAOYSA-N
DG67727	N-(2-hydroxyphenyl)-4-[[[2-(trifluoromethyl)pyridin-4-yl]amino]methyl]benzamide	54613337	NSC748708; NSC-748708	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748708	.	.	.	.	387.4	C20H16F3N3O2	74.2	509	3.7	28	3	7	5	"InChI=1S/C20H16F3N3O2/c21-20(22,23)18-11-15(9-10-24-18)25-12-13-5-7-14(8-6-13)19(28)26-16-3-1-2-4-17(16)27/h1-11,27H,12H2,(H,24,25)(H,26,28)"	C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)CNC3=CC(=NC=C3)C(F)(F)F)O	HEUBKNQLUZSSDS-UHFFFAOYSA-N
DG67728	NSC748912	54613350	"[(3S,4R,10R,13S,17S)-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-3-(3-methylbut-2-enoylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate; NSC748912; NSC-748912"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748912	.	.	.	.	486.7	C30H50N2O3	58.6	849	6.8	35	1	4	6	"InChI=1S/C30H50N2O3/c1-18(2)17-27(34)31-26-14-16-30(6)24-13-15-29(5)22(19(3)32(7)8)11-12-23(29)21(24)9-10-25(30)28(26)35-20(4)33/h17,19,21-26,28H,9-16H2,1-8H3,(H,31,34)/t19 ,21 ,22-,23 ,24 ,25 ,26+,28-,29-,30-/m1/s1"	CC([C@H]1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC[C@@H]([C@@H]4OC(=O)C)NC(=O)C=C(C)C)C)C)N(C)C	MTGALPCIDMQJOU-HUUORZJUSA-N
DG67729	"(E)-3-(2-(3,2-a]pyridin-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	54613357	"CHEMBL3220403; NSC750340; NSC-750340; (E)-3-(2-(3,2-a]pyridin-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750340	.	.	.	.	474.5	C27H26N2O6	80.5	706	5.1	35	0	7	9	"InChI=1S/C27H26N2O6/c1-31-21-12-9-17(14-22(21)32-2)26-19(29-13-7-6-8-25(29)28-26)10-11-20(30)18-15-23(33-3)27(35-5)24(16-18)34-4/h6-16H,1-5H3/b11-10+"	COC1=C(C=C(C=C1)C2=C(N3C=CC=CC3=N2)/C=C/C(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC	WTHHLVNJLOEQAJ-ZHACJKMWSA-N
DG67730	Tert-butyl-[3-[tert-butyl(methyl)phosphaniumyl]quinoxalin-2-yl]-methylphosphanium;gold(1+);chloride	54613360	NSC750634; NSC-750634	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750634	.	.	.	.	905.2	C36H60AuClN4P4+4	51.6	751	.	46	0	5	4	"InChI=1S/2C18H28N2P2.Au.ClH/c2*1-17(2,3)21(7)15-16(22(8)18(4,5)6)20-14-12-10-9-11-13(14)19-15;;/h2*9-12H,1-8H3;;1H/q;;+1;/p+3"	CC(C)(C)[PH+](C)C1=NC2=CC=CC=C2N=C1[PH+](C)C(C)(C)C.CC(C)(C)[PH+](C)C1=NC2=CC=CC=C2N=C1[PH+](C)C(C)(C)C.[Cl-].[Au+]	MAWPZHTVBDJQKE-UHFFFAOYSA-Q
DG67731	NSC750491	54613361	"(1S,2R,4R,12S,15R,18R)-2-bromo-8-[(2S,3S)-1,1-dichloro-3-hydroxy-3-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-18-hydroxy-9,13-dimethyl-17,19-dioxapentacyclo[13.3.1.01,13.04,12.05,10]nonadeca-5(10),6,8-trien-11-one; Nakiterpiosin; NSC750491; NSC-750491"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750491	.	.	.	.	618.3	C27H31BrCl2O7	102	967	3.9	37	2	7	4	"InChI=1S/C27H31BrCl2O7/c1-10-6-16(36-24(10)33)21(31)19(23(29)30)13-4-5-14-15-7-17(28)27-25(34)35-9-12(37-27)8-26(27,3)20(15)22(32)18(14)11(13)2/h4-5,10,12,15-17,19-21,23,25,31,34H,6-9H2,1-3H3/t10-,12+,15-,16+,17+,19-,20+,21+,25+,26 ,27+/m0/s1"	C[C@H]1C[C@@H](OC1=O)[C@H]([C@H](C2=C(C3=C(C=C2)[C@@H]4C[C@H]([C@]56[C@@H](OC[C@H](O5)CC6([C@H]4C3=O)C)O)Br)C)C(Cl)Cl)O	ZZCVHHDIBFSYFY-JMQRXBQWSA-N
DG67732	tert-butyl N-[2-(4-methoxy-N-[2-oxo-2-(3-phenyltellanylpropylamino)ethyl]anilino)-2-oxoethyl]carbamate	54613363	CHEMBL3309878; NSC751131; NSC-751131	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751131	.	.	.	.	583.1	C25H33N3O5Te	97	641	.	34	2	5	13	"InChI=1S/C25H33N3O5Te/c1-25(2,3)33-24(31)27-17-23(30)28(19-11-13-20(32-4)14-12-19)18-22(29)26-15-8-16-34-21-9-6-5-7-10-21/h5-7,9-14H,8,15-18H2,1-4H3,(H,26,29)(H,27,31)"	CC(C)(C)OC(=O)NCC(=O)N(CC(=O)NCCC[Te]C1=CC=CC=C1)C2=CC=C(C=C2)OC	NREKVXDAIMNRNL-UHFFFAOYSA-N
DG67733	N-(4-methoxyphenyl)-N-[2-oxo-2-(3-phenyltellanylpropylamino)ethyl]benzamide	54613364	CHEMBL3309882; NSC751132; NSC-751132	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751132	.	.	.	.	530.1	C25H26N2O3Te	58.6	539	.	31	1	3	10	"InChI=1S/C25H26N2O3Te/c1-30-22-15-13-21(14-16-22)27(25(29)20-9-4-2-5-10-20)19-24(28)26-17-8-18-31-23-11-6-3-7-12-23/h2-7,9-16H,8,17-19H2,1H3,(H,26,28)"	COC1=CC=C(C=C1)N(CC(=O)NCCC[Te]C2=CC=CC=C2)C(=O)C3=CC=CC=C3	NTDVMQHJDJVXBK-UHFFFAOYSA-N
DG67734	"2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide"	54613367	CHEMBL2296453; NSC751266; NSC-751266	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751266	.	.	.	.	470	C22H20ClN5OS2	125	588	6.2	31	2	6	7	"InChI=1S/C22H20ClN5OS2/c1-14-15(2)28(27-18-6-4-3-5-7-18)22(24-14)31-13-20(29)26-21-25-19(12-30-21)16-8-10-17(23)11-9-16/h3-12,27H,13H2,1-2H3,(H,25,26,29)"	CC1=C(N(C(=N1)SCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl)NC4=CC=CC=C4)C	HICKHUWRQNHRDE-UHFFFAOYSA-N
DG67735	NSC751151	54613368	"N-{(7S)-10-[[(E)-2-s-trans]-2-Carbamothioyldiazenyl]-5,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl}acetamide hemihydrate . 0.333 (acetic acid) . 0.333 (sodium acetate); NSC751151; NSC-751151; N-{(7S)-10-[[(E)-2-s-trans]-2-Carbamothioyldiazenyl]-5,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl}acetamide hemihydrate . 0.333 (acetic acid) . 0.333 (sodium acetate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751151	.	.	.	.	598.6	C26H31N4NaO9S	234	962	.	41	3	11	5	"InChI=1S/C22H24N4O5S.2C2H4O2.Na/c1-11(27)24-15-7-5-12-9-18(29-2)20(30-3)21(31-4)19(12)13-6-8-16(25-26-22(23)32)17(28)10-14(13)15;2*1-2(3)4;/h6,8-10,15H,5,7H2,1-4H3,(H2,23,32)(H,24,27);2*1H3,(H,3,4);/q;;;+1/p-1/t15-;;;/m0.../s1"	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N=NC(=S)N)OC)OC)OC.CC(=O)O.CC(=O)[O-].[Na+]	UDFWXBZMTOVYKW-CFZZCFLMSA-M
DG67736	Mito-tempol	54613387	Mito-tempol; NSC747162; NSC-747162	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747162	.	.	.	.	570.5	C31H41BrNO2P	32.7	568	.	36	1	4	9	"InChI=1S/C31H41NO2P.BrH/c1-30(2)24-26(25-31(3,4)32(30)33)34-22-14-15-23-35(27-16-8-5-9-17-27,28-18-10-6-11-19-28)29-20-12-7-13-21-29;/h5-13,16-21,26,33H,14-15,22-25H2,1-4H3;1H/q+1;/p-1"	CC1(CC(CC(N1O)(C)C)OCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]	AIQMYWZQFQQTIQ-UHFFFAOYSA-M
DG67737	N-(2-hydroxy-5-methylphenyl)-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide	54613407	NSC748712; NSC-748712	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748712	.	.	.	.	387.4	C20H16F3N3O2	74.2	531	4.2	28	3	7	4	"InChI=1S/C20H16F3N3O2/c1-12-5-6-17(27)16(9-12)26-19(28)13-3-2-4-14(10-13)25-15-7-8-24-18(11-15)20(21,22)23/h2-11,27H,1H3,(H,24,25)(H,26,28)"	CC1=CC(=C(C=C1)O)NC(=O)C2=CC(=CC=C2)NC3=CC(=NC=C3)C(F)(F)F	RRPNOLAOGNULEP-UHFFFAOYSA-N
DG67738	N-(5-chloro-2-hydroxyphenyl)-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide	54613408	NSC748713; NSC-748713	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748713	.	.	.	.	407.8	C19H13ClF3N3O2	74.2	537	4.4	28	3	7	4	"InChI=1S/C19H13ClF3N3O2/c20-12-4-5-16(27)15(9-12)26-18(28)11-2-1-3-13(8-11)25-14-6-7-24-17(10-14)19(21,22)23/h1-10,27H,(H,24,25)(H,26,28)"	C1=CC(=CC(=C1)NC2=CC(=NC=C2)C(F)(F)F)C(=O)NC3=C(C=CC(=C3)Cl)O	RLETXJJKZDULQY-UHFFFAOYSA-N
DG67739	S-allylthio mercaptopurine riboside	54613413	S-allylthio mercaptopurine riboside; NSC748641; NSC-748641	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748641	.	.	.	.	356.4	C13H16N4O4S2	164	421	0.8	23	3	9	6	"InChI=1S/C13H16N4O4S2/c1-2-3-22-23-12-8-11(14-5-15-12)17(6-16-8)13-10(20)9(19)7(4-18)21-13/h2,5-7,9-10,13,18-20H,1,3-4H2"	C=CCSSC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O	UPMVDGSUFKTPMZ-UHFFFAOYSA-N
DG67740	S-allylthio 6mercaptopurine	54613414	S-allylthio 6mercaptopurine; NSC748642; NSC-748642	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748642	.	.	.	.	226.3	C8H10N4S2	104	233	0.7	14	2	4	4	"InChI=1S/C8H10N4S2/c1-2-3-13-14-8-6-7(10-4-9-6)11-5-12-8/h2,4-5,8H,1,3H2,(H,9,10)(H,11,12)"	C=CCSSC1C2=C(NC=N1)N=CN2	YJUPROCVQPJJRN-UHFFFAOYSA-N
DG67741	N-(2-hydroxy-5-methylphenyl)-4-[[[2-(trifluoromethyl)pyridin-4-yl]amino]methyl]benzamide	54613415	NSC748715; NSC-748715	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748715	.	.	.	.	401.4	C21H18F3N3O2	74.2	538	4.1	29	3	7	5	"InChI=1S/C21H18F3N3O2/c1-13-2-7-18(28)17(10-13)27-20(29)15-5-3-14(4-6-15)12-26-16-8-9-25-19(11-16)21(22,23)24/h2-11,28H,12H2,1H3,(H,25,26)(H,27,29)"	CC1=CC(=C(C=C1)O)NC(=O)C2=CC=C(C=C2)CNC3=CC(=NC=C3)C(F)(F)F	HKPBMUSVXAPONE-UHFFFAOYSA-N
DG67742	(E)-1-(benzenesulfonyl)-3-(2-phenyl-1H-indol-3-yl)prop-2-en-1-one	54613416	NSC749193; NSC-749193	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749193	.	.	.	.	387.5	C23H17NO3S	75.4	669	4.8	28	1	3	5	"InChI=1S/C23H17NO3S/c25-22(28(26,27)18-11-5-2-6-12-18)16-15-20-19-13-7-8-14-21(19)24-23(20)17-9-3-1-4-10-17/h1-16,24H/b16-15+"	C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)/C=C/C(=O)S(=O)(=O)C4=CC=CC=C4	NPZXBSTZHWCMAY-FOCLMDBBSA-N
DG67743	"(13R,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-5,6,9,10,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-1,4-dione"	54613423	NSC750440; NSC-750440	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750440	.	.	.	.	382.6	C26H38O2	34.1	699	6.7	28	0	2	5	"InChI=1S/C26H38O2/c1-16(2)6-5-7-17(3)21-10-11-22-18-8-9-20-23(27)12-13-24(28)25(20)19(18)14-15-26(21,22)4/h8,12-13,16-17,19-22,25H,5-7,9-11,14-15H2,1-4H3/t17-,19 ,20 ,21-,22 ,25 ,26-/m1/s1"	C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2=CCC4C3C(=O)C=CC4=O)C	NDOXBXQOMXCQJK-ZFMKNYSTSA-N
DG67744	NSC750325	54613426	"9-(Benzylcarbamoyloxy)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid; NSC750325; NSC-750325"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750325	.	.	.	.	589.8	C38H55NO4	75.6	1130	10.1	43	2	4	6	"InChI=1S/C38H55NO4/c1-24(2)26-15-20-38(32(40)41)22-21-36(6)27(31(26)38)13-14-29-35(5)18-17-30(34(3,4)28(35)16-19-37(29,36)7)43-33(42)39-23-25-11-9-8-10-12-25/h8-12,26-31H,1,13-23H2,2-7H3,(H,39,42)(H,40,41)"	CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)NCC6=CC=CC=C6)C)C(=O)O	IETQHIUZYMGENT-UHFFFAOYSA-N
DG67745	"N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide"	54613443	CHEMBL2296448; NSC751271; NSC-751271	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751271	.	.	.	.	500	C23H22ClN5O2S2	135	634	6.2	33	2	7	8	"InChI=1S/C23H22ClN5O2S2/c1-14-15(2)29(28-18-8-10-19(31-3)11-9-18)23(25-14)33-13-21(30)27-22-26-20(12-32-22)16-4-6-17(24)7-5-16/h4-12,28H,13H2,1-3H3,(H,26,27,30)"	CC1=C(N(C(=N1)SCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)OC)C	XYAISKQFVIDQGK-UHFFFAOYSA-N
DG67746	NSC748877	54613466	"N-(11,29-dihydroxy-10,24-dimethyl-2,9,12,19,23,26-hexaoxo-21-propan-2-yl-22-oxa-1,7,8,11,17,18,25,31-octazatetracyclo[25.4.0.03,8.013,18]hentriacontan-20-yl)-2-(6-ethyl-2-hydroxy-5-propyloxan-2-yl)-2-hydroxypropanamide; NSC748877; NSC-748877"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748877	.	.	.	.	882	C40H67N9O13	292	1690	0.7	62	9	16	7	"InChI=1S/C40H67N9O13/c1-8-12-24-15-16-40(59,62-29(24)9-2)39(7,58)38(57)45-30-31(21(3)4)61-37(56)22(5)44-32(51)28-19-25(50)20-43-48(28)34(53)26-13-10-17-41-46(26)33(52)23(6)49(60)35(54)27-14-11-18-42-47(27)36(30)55/h21-31,41-43,50,58-60H,8-20H2,1-7H3,(H,44,51)(H,45,57)"	CCCC1CCC(OC1CC)(C(C)(C(=O)NC2C(OC(=O)C(NC(=O)C3CC(CNN3C(=O)C4CCCNN4C(=O)C(N(C(=O)C5CCCNN5C2=O)O)C)O)C)C(C)C)O)O	BJUCZDYVLAQTFF-UHFFFAOYSA-N
DG67747	"N-Benzyl-N-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine"	54613473	"NSC749732; NSC-749732; N-Benzyl-N-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749732	.	.	.	.	316.4	C18H16N6	83.7	393	3.3	24	2	5	4	"InChI=1S/C18H16N6/c19-18-21-16-15(11-20-23-16)17(22-18)24(14-9-5-2-6-10-14)12-13-7-3-1-4-8-13/h1-11H,12H2,(H3,19,20,21,22,23)"	C1=CC=C(C=C1)CN(C2=CC=CC=C2)C3=NC(=NC4=C3C=NN4)N	LWXSWMUODCMJDQ-UHFFFAOYSA-N
DG67748	"(E)-1-[4-[[4-anilino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	54613477	NSC749379; NSC-749379	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749379	.	.	.	.	609.1	C33H29ClN6O4	120	880	7.9	44	3	10	12	"InChI=1S/C33H29ClN6O4/c1-42-28-19-21(20-29(43-2)30(28)44-3)9-18-27(41)22-10-14-25(15-11-22)36-32-38-31(35-24-7-5-4-6-8-24)39-33(40-32)37-26-16-12-23(34)13-17-26/h4-20H,1-3H3,(H3,35,36,37,38,39,40)/b18-9+"	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=CC=C4)NC5=CC=C(C=C5)Cl	FOZYRWLBSFCSDA-GIJQJNRQSA-N
DG67749	"3-Methoxy-11-nitroso-5,6,6a,7-tetraaza-6aH-benzo[a]fluorene"	54613484	"CHEMBL3357019; NSC749292; NSC-749292; 3-Methoxy-11-nitroso-5,6,6a,7-tetraaza-6aH-benzo[a]fluorene; 3-methoxy-1-nitrosopyrido[3,5]pyrrolo[1,2-c][1,2,3]benzotriazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749292	.	.	.	.	279.25	C14H9N5O2	81.7	409	1.8	21	0	6	1	"InChI=1S/C14H9N5O2/c1-21-8-4-5-9-11(7-8)16-18-19-13(9)12(17-20)10-3-2-6-15-14(10)19/h2-7H,1H3"	COC1=CC2=C(C=C1)C3=C(C4=C(N3N=N2)N=CC=C4)N=O	CQNHUCFXHWOHSA-UHFFFAOYSA-N
DG67750	"2-methoxy-5H-pyrido[3,5]pyrrolo[3,2-c]cinnoline"	54613488	"CHEMBL3357016; NSC749296; NSC-749296; 2-methoxy-5H-pyrido[3,5]pyrrolo[3,2-c]cinnoline; 3-Methoxy-5,6,10,11-tetraaza-11H-benzo[a]fluorene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749296	.	.	.	.	250.25	C14H10N4O	63.7	339	2	19	1	4	1	"InChI=1S/C14H10N4O/c1-19-8-4-5-9-11(7-8)17-18-13-10-3-2-6-15-14(10)16-12(9)13/h2-7H,1H3,(H,15,16)"	COC1=CC2=C(C=C1)C3=C(C4=C(N3)N=CC=C4)N=N2	AOCIVXMWBPBAKU-UHFFFAOYSA-N
DG67751	7-(6-bromo-1H-benzimidazol-2-yl)-N-hydroxy heptanamide	54613496	CHEMBL2414098; SCHEMBL719842; BDBM50438847; NSC751165; NSC-751165; 7-(6-bromo-1H-benzimidazol-2-yl)-N-hydroxy heptanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751165	.	.	.	.	340.22	C14H18BrN3O2	78	317	3	20	3	3	7	"InChI=1S/C14H18BrN3O2/c15-10-7-8-11-12(9-10)17-13(16-11)5-3-1-2-4-6-14(19)18-20/h7-9,20H,1-6H2,(H,16,17)(H,18,19)"	C1=CC2=C(C=C1Br)NC(=N2)CCCCCCC(=O)NO	KGEJYSFIEAQAKU-UHFFFAOYSA-N
DG67752	2-(3-chlorophenyl)-5-methyl-4-[(E)-(3-oxonaphthalen-2-ylidene)methyl]-1H-pyrazol-3-one	54613497	NSC751277; NSC-751277	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751277	.	.	.	.	362.8	C21H15ClN2O2	49.4	857	4.1	26	1	3	2	"InChI=1S/C21H15ClN2O2/c1-13-19(21(26)24(23-13)18-8-4-7-17(22)12-18)10-16-9-14-5-2-3-6-15(14)11-20(16)25/h2-12,23H,1H3/b16-10+"	CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)/C=C/3\\C=C4C=CC=CC4=CC3=O	KMDGIGAWIDZJQR-MHWRWJLKSA-N
DG67753	"5,10-dimethoxy-4-(4-methoxyphenyl)benzo[g]quinolin-2(1H)-one"	54613526	"NSC750106; NSC-750106; 5,10-dimethoxy-4-(4-methoxyphenyl)benzo[g]quinolin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750106	.	.	.	.	361.4	C22H19NO4	56.8	569	3.7	27	1	4	4	"InChI=1S/C22H19NO4/c1-25-14-10-8-13(9-11-14)17-12-18(24)23-20-19(17)21(26-2)15-6-4-5-7-16(15)22(20)27-3/h4-12H,1-3H3,(H,23,24)"	COC1=CC=C(C=C1)C2=CC(=O)NC3=C(C4=CC=CC=C4C(=C23)OC)OC	ADTDUUWVPBZWJH-UHFFFAOYSA-N
DG67754	"5-chloro-7H-naphtho[3,1-ij][2,7]naphthyridin-7-one"	54613527	"NSC750107; NSC-750107; 5-chloro-7H-naphtho[3,1-ij][2,7]naphthyridin-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750107	.	.	.	.	266.68	C15H7ClN2O	42.8	388	3.5	19	0	3	0	InChI=1S/C15H7ClN2O/c16-11-7-8-5-6-17-13-9-3-1-2-4-10(9)15(19)14(18-11)12(8)13/h1-7H	C1=CC=C2C(=C1)C3=NC=CC4=CC(=NC(=C43)C2=O)Cl	QXMLVWOWWYNRSW-UHFFFAOYSA-N
DG67755	"2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide"	54613544	CHEMBL2296451; NSC751269; NSC-751269	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751269	.	.	.	.	449.6	C23H23N5OS2	125	582	5.9	31	2	6	7	"InChI=1S/C23H23N5OS2/c1-15-9-11-19(12-10-15)27-28-17(3)16(2)24-23(28)31-14-21(29)26-22-25-20(13-30-22)18-7-5-4-6-8-18/h4-13,27H,14H2,1-3H3,(H,25,26,29)"	CC1=CC=C(C=C1)NN2C(=C(N=C2SCC(=O)NC3=NC(=CS3)C4=CC=CC=C4)C)C	ZTQGSYDRVVTJAI-UHFFFAOYSA-N
DG67756	"1-Methylene-2-(4-methoxybenzyl)-3-(3-chlorophenyl)-1,2-a]-benzimidazole"	54613563	"NSC748541; NSC-748541; 1-Methylene-2-(4-methoxybenzyl)-3-(3-chlorophenyl)-1,2-a]-benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748541	.	.	.	.	413.9	C25H20ClN3O	30.3	659	5.8	30	0	3	4	"InChI=1S/C25H20ClN3O/c1-17-25-27-22-8-3-4-9-23(22)29(25)16-24(19-6-5-7-20(26)14-19)28(17)15-18-10-12-21(30-2)13-11-18/h3-14,16H,1,15H2,2H3"	COC1=CC=C(C=C1)CN2C(=C)C3=NC4=CC=CC=C4N3C=C2C5=CC(=CC=C5)Cl	CMBKEFGSZVFSAU-UHFFFAOYSA-N
DG67757	"3,4-d]pyridazin-7(6H)-one"	54613569	"SCHEMBL4706931; 3,4-d]pyridazin-7(6H)-one; NSC749505; NSC-749505"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749505	.	.	.	.	289.29	C17H11N3O2	67.5	453	3.1	22	1	4	2	"InChI=1S/C17H11N3O2/c21-17-15-13(14(18-19-17)11-7-3-1-4-8-11)16(22-20-15)12-9-5-2-6-10-12/h1-10H,(H,19,21)"	C1=CC=C(C=C1)C2=C3C(=NNC(=O)C3=NO2)C4=CC=CC=C4	AZCISMTZBICDFR-UHFFFAOYSA-N
DG67758	"(E)-3-(2-(4-methoxyphenyl)imidazo[1,4,5-trimethoxyphenyl)prop-2-en-1-one"	54613570	"CHEMBL3220402; NSC750335; NSC-750335; (E)-3-(2-(4-methoxyphenyl)imidazo[1,4,5-trimethoxyphenyl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750335	.	.	.	.	444.5	C26H24N2O5	71.3	651	5.1	33	0	6	8	"InChI=1S/C26H24N2O5/c1-30-19-10-8-17(9-11-19)25-20(28-14-6-5-7-24(28)27-25)12-13-21(29)18-15-22(31-2)26(33-4)23(16-18)32-3/h5-16H,1-4H3/b13-12+"	COC1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)/C=C/C(=O)C4=CC(=C(C(=C4)OC)OC)OC	CIDZKWOVODJXSE-OUKQBFOZSA-N
DG67759	LDN-193189 monohydrochloride	54613581	"1062368-62-0; LDN193189 Hydrochloride; LDN-193189 HCl; LDN-193189 hydrochloride; LDN193189 HCl; LDN193189 (Hydrochloride); UNII-PLH51K438W; 4-(6-(4-(Piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline hydrochloride; LDN-193189 monohydrochloride; DM-3189 (hydrochloride); PLH51K438W; 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;hydrochloride; 4-[6-[4-(1-Piperazinyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline hydrochloride; 4-{6-[4-(piperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl}quinoline hydrochloride; C25H22N6.HCl; MLS006011214; SCHEMBL2059683; LDN193189 hydrochloride (LDN); FD7108; MFCD17392570; NSC747884; AKOS026673959; CCG-269158; NSC-747884; AC-28455; AS-56540; Quinoline, 4-(6-(4-(1-piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)-, hydrochloride (1:1); SMR004702976; S7507; Y6631; LDN193189 hydrochloride, >=98% (HPLC); A895841; Q27286620; 4-[6-[4-(1-Piperazinyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-quinoline hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747884	.	.	.	.	442.9	C25H23ClN6	58.4	587	.	32	2	5	3	"InChI=1S/C25H22N6.ClH/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30;/h1-10,15-17,26H,11-14H2;1H"	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3.Cl	PCCDKTWDGDFRME-UHFFFAOYSA-N
DG67760	"3-(2,7-Dimethoxyacridin-9-yl)sulfanylpropan-1-amine;2,2,2-trifluoroacetic acid"	54613582	NSC747887; NSC-747887	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747887	.	.	.	.	442.5	C20H21F3N2O4S	120	426	.	30	2	10	6	"InChI=1S/C18H20N2O2S.C2HF3O2/c1-21-12-4-6-16-14(10-12)18(23-9-3-8-19)15-11-13(22-2)5-7-17(15)20-16;3-2(4,5)1(6)7/h4-7,10-11H,3,8-9,19H2,1-2H3;(H,6,7)"	COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCCCN)OC.C(=O)(C(F)(F)F)O	KDSSDWUGOHMPLF-UHFFFAOYSA-N
DG67761	"Spiro[piperidine-4,3'-[3H]pyrido[3,4-b]indole]-4'-carbonitrile, 7',8'-dichloro-1',2',4',9'-tetrahydro-9'-methyl-1'-oxo-"	54613583	"CHEMBL1945559; NSC748497; NSC-748497; compound 20 [PMID: 22136433]; 1353572-78-7; Spiro[piperidine-4,3'-[3H]pyrido[3,4-b]indole]-4'-carbonitrile, 7',8'-dichloro-1',2',4',9'-tetrahydro-9'-methyl-1'-oxo-; KH-CARB13; GTPL8156; BDBM50363167; Q27076410; 7',8'-dichloro-9'-methyl-1'-oxo-1',2',4',9'-tetrahydrospiro[piperidine-4,3'-pyrido[3,4-b]indole]-4'-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748497	.	.	.	.	363.2	C17H16Cl2N4O	69.8	584	2.3	24	2	3	0	"InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)"	CN1C2=C(C=CC(=C2Cl)Cl)C3=C1C(=O)NC4(C3C#N)CCNCC4	OWAWOKKHZNRHGV-UHFFFAOYSA-N
DG67762	Ethyl 3-acetyl-1-oxido-4-oxo-2-(trifluoromethyl)quinoxalin-4-ium-6-carboxylate	54613595	CHEMBL2413963; NSC748717; NSC-748717	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748717	.	.	.	.	344.24	C14H11F3N2O5	89.8	602	1	24	0	9	4	"InChI=1S/C14H11F3N2O5/c1-3-24-13(21)8-4-5-9-10(6-8)18(22)11(7(2)20)12(19(9)23)14(15,16)17/h4-6H,3H2,1-2H3"	CCOC(=O)C1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C)C(F)(F)F)[O-]	RDQSCLKGYKFXDD-UHFFFAOYSA-N
DG67763	"2-(4-Methoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole"	54613605	NSC749862; NSC-749862	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749862	.	.	.	.	321.4	C18H15N3OS	68.2	402	3.6	23	0	4	3	"InChI=1S/C18H15N3OS/c1-21-10-15(14-4-3-9-19-17(14)21)16-11-23-18(20-16)12-5-7-13(22-2)8-6-12/h3-11H,1-2H3"	CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CC=C(C=C4)OC	JFEGIXHMJWUOKV-UHFFFAOYSA-N
DG67764	"2-(4-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole"	54613606	NSC749863; NSC-749863	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749863	.	.	.	.	311.8	C16H10ClN3S	69.8	361	4.3	21	1	3	2	"InChI=1S/C16H10ClN3S/c17-11-5-3-10(4-6-11)16-20-14(9-21-16)13-8-19-15-12(13)2-1-7-18-15/h1-9H,(H,18,19)"	C1=CC2=C(NC=C2C3=CSC(=N3)C4=CC=C(C=C4)Cl)N=C1	YPCJYYLEFMHQSV-UHFFFAOYSA-N
DG67765	"2-(3-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole"	54613609	NSC749867; NSC-749867	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749867	.	.	.	.	295.3	C16H10FN3S	69.8	369	3.8	21	1	4	2	"InChI=1S/C16H10FN3S/c17-11-4-1-3-10(7-11)16-20-14(9-21-16)13-8-19-15-12(13)5-2-6-18-15/h1-9H,(H,18,19)"	C1=CC(=CC(=C1)F)C2=NC(=CS2)C3=CNC4=C3C=CC=N4	GZBXLRAATULXMI-UHFFFAOYSA-N
DG67766	NSC749600	54613610	Ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-(methylcarbamoyloxymethyl)-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]acetate; NSC749600; NSC-749600	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749600	.	.	.	.	627.8	C29H41N7O7Si	168	994	.	44	3	10	13	"InChI=1S/C29H41N7O7Si/c1-8-40-21(37)14-19-20(15-41-28(39)30-5)42-26(23(19)43-44(6,7)29(2,3)4)36-17-33-22-24(31-16-32-25(22)36)35-27(38)34-18-12-10-9-11-13-18/h9-13,16-17,19-20,23,26H,8,14-15H2,1-7H3,(H,30,39)(H2,31,32,34,35,38)"	CCOC(=O)CC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)COC(=O)NC	BREOAZMLSWYFIF-UHFFFAOYSA-N
DG67767	10-(2-Carbamothioylhydrazinyl)-10-demethoxycolchicine monohydrate x 0.667 (ethyl acetate)	54613618	NSC750423; NSC-750423; 10-(2-Carbamothioylhydrazinyl)-10-demethoxycolchicine monohydrate x 0.667 (ethyl acetate)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750423	.	.	.	.	546.6	C26H34N4O7S	182	905	.	38	4	9	8	"InChI=1S/C22H26N4O5S.C4H8O2/c1-11(27)24-15-7-5-12-9-18(29-2)20(30-3)21(31-4)19(12)13-6-8-16(25-26-22(23)32)17(28)10-14(13)15;1-3-6-4(2)5/h6,8-10,15H,5,7H2,1-4H3,(H,24,27)(H,25,28)(H3,23,26,32);3H2,1-2H3/t15-;/m0./s1"	CCOC(=O)C.CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NNC(=S)N)OC)OC)OC	IYRRQVKDSHEXJD-RSAXXLAASA-N
DG67768	"(14R,15R)-15-methyl-14-[(2R)-6-methylheptan-2-yl]-2,7-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-4,9-diene-3,6-dione"	54613624	NSC750441; NSC-750441	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750441	.	.	.	.	384.6	C24H36N2O2	40.6	709	5.3	28	0	2	5	"InChI=1S/C24H36N2O2/c1-16(2)6-5-7-17(3)19-8-9-20-18-13-15-25-22(27)10-11-23(28)26(25)21(18)12-14-24(19,20)4/h10-11,13,16-17,19-21H,5-9,12,14-15H2,1-4H3/t17-,19-,20 ,21 ,24-/m1/s1"	C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2=CCN4N3C(=O)C=CC4=O)C	OSKWPXWEGHYFGQ-BHVDBZJUSA-N
DG67769	"N-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide"	54613630	NSC750802; NSC-750802	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750802	.	.	.	.	424.9	C22H17ClN2O3S	88.7	546	5.5	29	1	5	6	"InChI=1S/C22H17ClN2O3S/c1-27-19-12-14(22-25-18-4-2-3-5-20(18)29-22)6-11-17(19)24-21(26)13-28-16-9-7-15(23)8-10-16/h2-12H,13H2,1H3,(H,24,26)"	COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)COC4=CC=C(C=C4)Cl	YAIBRAHRRPSSJE-UHFFFAOYSA-N
DG67770	Spirohexenolide	54613640	spirohexenolide; NSC746076; NSC-746076	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746076	.	.	.	.	408.5	C25H28O5	72.8	989	3.5	30	1	5	0	"InChI=1S/C25H28O5/c1-15-6-5-7-19(26)10-18-8-9-20(29-14-18)21-22(27)25(30-23(21)28)13-17(3)16(2)12-24(25,4)11-15/h5-6,8-12,17,19,26H,7,13-14H2,1-4H3/b6-5-,15-11+,18-10-,21-20 "	CC1CC23C(=O)C(=C4C=C/C(=C/C(C/C=C\\C(=C\\C2(C=C1C)C)\\C)O)/CO4)C(=O)O3	SWMOMSBFRQXQAA-XCGZFUDOSA-N
DG67771	"2,2':4,5]Pyrrolo[3,2-C]cinnoline"	54613653	"CHEMBL3357017; NSC747650; NSC-747650; 2,2':4,5]PYRROLO[3,2-C]CINNOLINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747650	.	.	.	.	280.28	C15H12N4O2	72.9	383	1.9	21	1	5	2	"InChI=1S/C15H12N4O2/c1-20-11-6-9-10(7-12(11)21-2)18-19-14-8-4-3-5-16-15(8)17-13(9)14/h3-7H,1-2H3,(H,16,17)"	COC1=C(C=C2C(=C1)C3=C(C4=C(N3)N=CC=C4)N=N2)OC	CVWFCHIPHIRPJF-UHFFFAOYSA-N
DG67772	"2-Chloro-1-nitrosopyrido[3',5]pyrrolo[1,2-C]benzotriazine"	54613654	"CHEMBL3357018; NSC747651; NSC-747651; 2-CHLORO-1-NITROSOPYRIDO[3',5]PYRROLO[1,2-C]BENZOTRIAZINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747651	.	.	.	.	283.67	C13H6ClN5O	72.5	397	2.5	20	0	5	0	InChI=1S/C13H6ClN5O/c14-7-3-4-10-9(6-7)12-11(17-20)8-2-1-5-15-13(8)19(12)18-16-10/h1-6H	C1=CC2=C(N=C1)N3C(=C2N=O)C4=C(C=CC(=C4)Cl)N=N3	NKVYTVUJRIQSCI-UHFFFAOYSA-N
DG67773	"2,2':4,5]Pyrrolo[1,2-C][1,2,3]benzotriazine"	54613655	"CHEMBL3357020; NSC747652; NSC-747652; 2,2':4,5]PYRROLO[1,2-C][1,2,3]BENZOTRIAZINE; 2,3-Dimethoxy-11-nitroso-5,6,6a,7-tetraaza-6aH-benzo[a]fluorene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747652	.	.	.	.	309.28	C15H11N5O3	91	453	1.8	23	0	7	2	"InChI=1S/C15H11N5O3/c1-22-11-6-9-10(7-12(11)23-2)17-19-20-14(9)13(18-21)8-4-3-5-16-15(8)20/h3-7H,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=C(N3N=N2)N=CC=C4)N=O)OC	NUOXXBSZMYVIBM-UHFFFAOYSA-N
DG67774	"Tris-N,N-{[3-(3-hydroxy-2-oxo-2H-pyridin-1-yl)-propyl]}-amine tetrahydrobromide"	54613677	"NSC748389; NSC-748389; Tris-N,N-{[3-(3-hydroxy-2-oxo-2H-pyridin-1-yl)-propyl]}-amine tetrahydrobromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748389	.	.	.	.	537.4	C23H29BrN4O6	125	910	.	34	4	7	11	"InChI=1S/C23H28N4O6.BrH/c28-18-6-1-11-25(21(18)31)14-4-9-24(16-17-27-13-3-8-20(30)23(27)33)10-5-15-26-12-2-7-19(29)22(26)32;/h1-3,6-8,11-13,28-30H,4-5,9-10,14-17H2;1H"	C1=CN(C(=O)C(=C1)O)CCCN(CCCN2C=CC=C(C2=O)O)CCN3C=CC=C(C3=O)O.Br	KELLCLPZRLBAJW-UHFFFAOYSA-N
DG67775	"N3-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyanilino)nicotinamide"	54613686	"SCHEMBL12479239; NSC748854; NSC-748854; N3-(6-fluoro-1,4,5-trimethoxyanilino)nicotinamide; N3-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyanilino)nicotinamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748854	.	.	.	.	454.5	C22H19FN4O4S	123	621	4.9	32	2	9	7	"InChI=1S/C22H19FN4O4S/c1-29-16-10-13(11-17(30-2)19(16)31-3)25-20-14(5-4-8-24-20)21(28)27-22-26-15-7-6-12(23)9-18(15)32-22/h4-11H,1-3H3,(H,24,25)(H,26,27,28)"	COC1=CC(=CC(=C1OC)OC)NC2=C(C=CC=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F	UDEZJHFKYPHLQR-UHFFFAOYSA-N
DG67776	"2-Amino-6-[4-[[4-anilino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(4-methoxyphenyl)pyridine-3-carbonitrile"	54613688	NSC749380; NSC-749380	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749380	.	.	.	.	612.1	C34H26ClN9O	147	937	8.3	45	4	10	9	"InChI=1S/C34H26ClN9O/c1-45-27-17-9-21(10-18-27)28-19-30(41-31(37)29(28)20-36)22-7-13-25(14-8-22)39-33-42-32(38-24-5-3-2-4-6-24)43-34(44-33)40-26-15-11-23(35)12-16-26/h2-19H,1H3,(H2,37,41)(H3,38,39,40,42,43,44)"	COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)NC6=CC=C(C=C6)Cl	KAOJKHJNFVFZFB-UHFFFAOYSA-N
DG67777	"N1-(2,9,12-trioxa-3,16-diazanonadecan-19-yl)-N1-methyl-N3-(2-(naphthalen-2-yl)quinolin-4-yl)propane-1,3-diaminium bromide"	54613693	"NSC749673; NSC-749673; N1-(2,9,12-trioxa-3,16-diazanonadecan-19-yl)-N1-methyl-N3-(2-(naphthalen-2-yl)quinolin-4-yl)propane-1,3-diaminium bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749673	.	.	.	.	925	C53H58BrN5O5	114	1370	.	64	4	8	24	"InChI=1S/C53H57N5O5.BrH/c1-58(27-7-24-54-49-37-48(57-47-14-5-4-13-46(47)49)44-20-15-38-9-2-3-10-42(38)35-44)28-8-25-55-50(59)23-29-61-31-33-63-34-32-62-30-26-56-51(60)36-43-19-18-41-17-16-39-11-6-12-40-21-22-45(43)53(41)52(39)40;/h2-6,9-22,35,37H,7-8,23-34,36H2,1H3,(H,54,57)(H,55,59)(H,56,60);1H"	CN(CCCNC1=CC(=NC2=CC=CC=C21)C3=CC4=CC=CC=C4C=C3)CCCNC(=O)CCOCCOCCOCCNC(=O)CC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5.Br	ZCBYCWITATWYRM-UHFFFAOYSA-N
DG67778	"1-3-[(E)-3-(3-hydroxyphenyl)-2-propenoyl]phenyl-4-(2-naphthyl)-2,3-dihydro-1H-2-imidazolone"	54613695	"SCHEMBL2272247; SCHEMBL2272251; NSC749805; NSC-749805; 1-3-[(E)-3-(3-hydroxyphenyl)-2-propenoyl]phenyl-4-(2-naphthyl)-2,3-dihydro-1H-2-imidazolone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749805	.	.	.	.	432.5	C28H20N2O3	69.6	790	5.2	33	2	3	5	"InChI=1S/C28H20N2O3/c31-25-10-3-5-19(15-25)11-14-27(32)23-8-4-9-24(17-23)30-18-26(29-28(30)33)22-13-12-20-6-1-2-7-21(20)16-22/h1-18,31H,(H,29,33)/b14-11+"	C1=CC=C2C=C(C=CC2=C1)C3=CN(C(=O)N3)C4=CC=CC(=C4)C(=O)/C=C/C5=CC(=CC=C5)O	PUUPCBPQLXQKJG-SDNWHVSQSA-N
DG67779	"Ethyl 1-benzyl-3-methyl-4-oxo-1,5,7-tetrahydrothiopyrano[3,4-b]pyrrole-2-carboxylate"	54613702	"NSC749884; NSC-749884; Ethyl 1-benzyl-3-methyl-4-oxo-1,5,7-tetrahydrothiopyrano[3,4-b]pyrrole-2-carboxylate; 1-Benzyl-3-methyl-4-oxo-1,4,5,7-tetrahydrothiopyrano[3,4-b]pyrrole-2-carboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749884	.	.	.	.	329.4	C18H19NO3S	73.6	450	3.2	23	0	4	5	"InChI=1S/C18H19NO3S/c1-3-22-18(21)17-12(2)16-14(10-23-11-15(16)20)19(17)9-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3"	CCOC(=O)C1=C(C2=C(N1CC3=CC=CC=C3)CSCC2=O)C	OMAXOSOXZMIKSG-UHFFFAOYSA-N
DG67780	NSC750180	54613706	"(3S,3aS,6aS,7S,9S,9aR,9bS)-7-(2-cyano-2-methylpropyl)-3,9-dimethyl-6-methylidene-2,3,4,5,6a,7,8,9,9a,9b-decahydro-1H-phenalene-3a-carbonitrile; NSC750180; NSC-750180"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750180	.	.	.	.	324.5	C22H32N2	47.6	627	5.2	24	0	2	2	"InChI=1S/C22H32N2/c1-14-8-9-22(13-24)16(3)6-7-18-15(2)10-17(19(14)20(18)22)11-21(4,5)12-23/h15-20H,1,6-11H2,2-5H3/t15-,16-,17-,18+,19-,20-,22-/m0/s1"	C[C@H]1CC[C@@H]2[C@H](C[C@H]([C@H]3[C@H]2[C@@]1(CCC3=C)C#N)CC(C)(C)C#N)C	SURUYXZBULCLST-XQOOQLJESA-N
DG67781	"2-(2-hydroxyphenyl)-3-[5-(1H-imidazol-1-ylmethyl)-1,4-oxadiazol-2-yl]-1,3-thiazolidin-4-one"	54613708	"NSC750493; NSC-750493; 2-(2-hydroxyphenyl)-3-[5-(1H-imidazol-1-ylmethyl)-1,4-oxadiazol-2-yl]-1,3-thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750493	.	.	.	.	343.4	C15H13N5O3S	123	470	0.9	24	1	7	4	"InChI=1S/C15H13N5O3S/c21-11-4-2-1-3-10(11)14-20(13(22)8-24-14)15-18-17-12(23-15)7-19-6-5-16-9-19/h1-6,9,14,21H,7-8H2"	C1C(=O)N(C(S1)C2=CC=CC=C2O)C3=NN=C(O3)CN4C=CN=C4	WTLBLYDIWFKBIH-UHFFFAOYSA-N
DG67782	"3-[(E)-1-(3-1-[(4-fluorophenyl)sulfonyl]-4-piperidylimidazo[1,5-a]pyridin-1-yl)methylidene]-2-indolinone"	54613720	"NSC750970; NSC-750970; 3-[(E)-1-(3-1-[(4-fluorophenyl)sulfonyl]-4-piperidylimidazo[1,5-a]pyridin-1-yl)methylidene]-2-indolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750970	.	.	.	.	502.6	C27H23FN4O3S	92.2	953	4.4	36	1	6	4	"InChI=1S/C27H23FN4O3S/c28-19-8-10-20(11-9-19)36(34,35)31-15-12-18(13-16-31)26-29-24(25-7-3-4-14-32(25)26)17-22-21-5-1-2-6-23(21)30-27(22)33/h1-11,14,17-18H,12-13,15-16H2,(H,30,33)/b22-17+"	C1CN(CCC1C2=NC(=C3N2C=CC=C3)/C=C/4\\C5=CC=CC=C5NC4=O)S(=O)(=O)C6=CC=C(C=C6)F	OVIYRFOWXSDFTC-OQKWZONESA-N
DG67783	2-[3-(3-Aminopropoxy)-2-naphthamido)-5-chlorophenyl-3-(3-aminopropoxy)-2-naphthoate dihydrochloride	54613723	CHEMBL3342354; NSC751300; NSC-751300; 2-[3-(3-Aminopropoxy)-2-naphthamido)-5-chlorophenyl-3-(3-aminopropoxy)-2-naphthoate dihydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751300	.	.	.	.	634.5	C34H33Cl2N3O5	126	894	.	44	4	7	13	"InChI=1S/C34H32ClN3O5.ClH/c35-26-11-12-29(38-33(39)27-17-22-7-1-3-9-24(22)19-30(27)41-15-5-13-36)32(21-26)43-34(40)28-18-23-8-2-4-10-25(23)20-31(28)42-16-6-14-37;/h1-4,7-12,17-21H,5-6,13-16,36-37H2,(H,38,39);1H"	C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=C(C=C(C=C3)Cl)OC(=O)C4=CC5=CC=CC=C5C=C4OCCCN)OCCCN.Cl	VJFKEBZMNSAOIO-UHFFFAOYSA-N
DG67784	N-[(E)-(4-fluorophenyl)methylideneamino]-5-iodo-3-phenyl-1H-indole-2-carboxamide	54613729	NSC747378; NSC-747378	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747378	.	.	.	.	483.3	C22H15FIN3O	57.2	560	5.7	28	2	3	4	"InChI=1S/C22H15FIN3O/c23-16-8-6-14(7-9-16)13-25-27-22(28)21-20(15-4-2-1-3-5-15)18-12-17(24)10-11-19(18)26-21/h1-13,26H,(H,27,28)/b25-13+"	C1=CC=C(C=C1)C2=C(NC3=C2C=C(C=C3)I)C(=O)N/N=C/C4=CC=C(C=C4)F	FCZQOYLNNRGIOM-DHRITJCHSA-N
DG67785	"3,N-dimethylamino)benzylidineandrographolide"	54613734	"NSC747447; NSC-747447; 3,N-dimethylamino)benzylidineandrographolide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747447	.	.	.	.	481.6	C29H39NO5	68.2	861	4.2	35	1	6	4	"InChI=1S/C29H39NO5/c1-18-6-13-24-28(2,22(18)12-11-21-23(31)16-33-26(21)32)15-14-25-29(24,3)17-34-27(35-25)19-7-9-20(10-8-19)30(4)5/h7-11,22-25,27,31H,1,6,12-17H2,2-5H3/b21-11+"	CC12CCC3C(C1CCC(=C)C2C/C=C/4\\C(COC4=O)O)(COC(O3)C5=CC=C(C=C5)N(C)C)C	DAVQULZBDZGAKW-SRZZPIQSSA-N
DG67786	"[6-(4-Fluorophenyl)-4-hydroxy-4,5-diphenyloxan-2-yl]methyl thiocyanate"	54613759	NSC750255; NSC-750255	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750255	.	.	.	.	419.5	C25H22FNO2S	78.6	589	5	30	1	5	5	"InChI=1S/C25H22FNO2S/c26-21-13-11-19(12-14-21)24-23(18-7-3-1-4-8-18)25(28,20-9-5-2-6-10-20)15-22(29-24)16-30-17-27/h1-14,22-24,28H,15-16H2"	C1C(OC(C(C1(C2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=C(C=C4)F)CSC#N	LKLSPOXUXUIYBW-UHFFFAOYSA-N
DG67787	"3-[(1R)-1-(2,6-dichloro-4-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine"	54613769	NSC756645; AB01273972-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756645	.	.	.	.	450.3	C21H22Cl2FN5O	78	546	3.7	30	2	6	5	"InChI=1S/C21H22Cl2FN5O/c1-12(20-17(22)7-15(24)8-18(20)23)30-19-6-13(9-27-21(19)25)14-10-28-29(11-14)16-2-4-26-5-3-16/h6-12,16,26H,2-5H2,1H3,(H2,25,27)/t12-/m1/s1"	C[C@H](C1=C(C=C(C=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	SCJHEFQWKWHQTO-GFCCVEGCSA-N
DG67788	NSC816555	54670351	"(S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(3-(4-methylpiperazin-1-yl)propyl)acetamide; JQ-35, (S)-; 1349719-98-7; (S)-JQ-35; TEN-010; Bet inhibitor TEN-010; UNII-TA3QN7788D; TA3QN7788D; (S)-JQ35; (S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(3-(4-methylpiperazin-1-yl)propyl)acetamide; Ro-6870810; Bet inhibitor ro6870810; SCHEMBL881288; TEN010; CHEMBL4297423; BDBM483491; Rg 6146; EX-A3890; ZDC71998; NSC816555; DB15151; NSC-816555; US10925881, Name (S)-JQ35; HY-117286; RO6870810; CS-0064969; A936448; Q27896195; 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide; 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-6-acetamide, 4-(4-chlorophenyl)-2,3,9-trimethyl-N-(3-(4-methyl-1-piperazinyl)propyl)-, (6S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	816555	.	.	.	.	540.1	C27H34ClN7OS	107	817	3.5	37	1	7	7	"InChI=1S/C27H34ClN7OS/c1-17-18(2)37-27-24(17)25(20-6-8-21(28)9-7-20)30-22(26-32-31-19(3)35(26)27)16-23(36)29-10-5-11-34-14-12-33(4)13-15-34/h6-9,22H,5,10-16H2,1-4H3,(H,29,36)/t22-/m0/s1"	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCN4CCN(CC4)C)C5=CC=C(C=C5)Cl)C	PKQXLRYFPSZKDU-QFIPXVFZSA-N
DG67789	"6-[2-(Dimethylamino)ethoxy]-9-methoxyindeno[1,2-c]quinolin-11-one"	54672976	SCHEMBL14818434; NSC754241; NSC-754241	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754241	.	.	.	.	348.4	C21H20N2O3	51.7	512	3.6	26	0	5	5	"InChI=1S/C21H20N2O3/c1-23(2)10-11-26-21-19-14-9-8-13(25-3)12-16(14)20(24)18(19)15-6-4-5-7-17(15)22-21/h4-9,12H,10-11H2,1-3H3"	CN(C)CCOC1=NC2=CC=CC=C2C3=C1C4=C(C3=O)C=C(C=C4)OC	LPBYYUACWRTBHO-UHFFFAOYSA-N
DG67790	"6-[2-(Diethylamino)ethoxy]-9-methoxyindeno[1,2-c]quinolin-11-one"	54672977	NSC754242; NSC-754242	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754242	.	.	.	.	376.4	C23H24N2O3	51.7	538	4.4	28	0	5	7	"InChI=1S/C23H24N2O3/c1-4-25(5-2)12-13-28-23-21-16-11-10-15(27-3)14-18(16)22(26)20(21)17-8-6-7-9-19(17)24-23/h6-11,14H,4-5,12-13H2,1-3H3"	CCN(CC)CCOC1=NC2=CC=CC=C2C3=C1C4=C(C3=O)C=C(C=C4)OC	PPTOYZALYRLDKS-UHFFFAOYSA-N
DG67791	"5-(2-(dimethylamino)ethyl)-2,8-dimethoxy-5H-indeno[1,2-c]quinoline-6,11-dione"	54673147	"NSC754245; NSC-754245; 5-(2-(dimethylamino)ethyl)-2,8-dimethoxy-5H-indeno[1,2-c]quinoline-6,11-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754245	.	.	.	.	378.4	C22H22N2O4	59.1	673	2.4	28	0	5	5	"InChI=1S/C22H22N2O4/c1-23(2)9-10-24-18-8-6-14(28-4)12-17(18)19-20(22(24)26)16-11-13(27-3)5-7-15(16)21(19)25/h5-8,11-12H,9-10H2,1-4H3"	CN(C)CCN1C2=C(C=C(C=C2)OC)C3=C(C1=O)C4=C(C3=O)C=CC(=C4)OC	PAHNDAPGNCVOAR-UHFFFAOYSA-N
DG67792	"5-(3-(dimethylamino)propyl)-2,3,9-trimethoxy-5H-indeno[1,2-c]quinoline-6,11-dione"	54673151	"NSC754244; NSC-754244; 5-(3-(dimethylamino)propyl)-2,3,9-trimethoxy-5H-indeno[1,2-c]quinoline-6,11-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754244	.	.	.	.	422.5	C24H26N2O5	68.3	736	2.7	31	0	6	7	"InChI=1S/C24H26N2O5/c1-25(2)9-6-10-26-18-13-20(31-5)19(30-4)12-17(18)21-22(24(26)28)15-8-7-14(29-3)11-16(15)23(21)27/h7-8,11-13H,6,9-10H2,1-5H3"	CN(C)CCCN1C2=CC(=C(C=C2C3=C(C1=O)C4=C(C3=O)C=C(C=C4)OC)OC)OC	ULPIMCLMJAWSRK-UHFFFAOYSA-N
DG67793	"6-(2-(diethylamino)ethoxy)-2-9-dimethoxy-11H-indeno[1,2-c]quinolin-11-one"	54673453	"NSC754237; NSC-754237; 6-(2-(diethylamino)ethoxy)-2-9-dimethoxy-11H-indeno[1,2-c]quinolin-11-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754237	.	.	.	.	406.5	C24H26N2O4	60.9	584	4.3	30	0	6	8	"InChI=1S/C24H26N2O4/c1-5-26(6-2)11-12-30-24-22-17-9-7-15(28-3)13-18(17)23(27)21(22)19-14-16(29-4)8-10-20(19)25-24/h7-10,13-14H,5-6,11-12H2,1-4H3"	CCN(CC)CCOC1=NC2=C(C=C(C=C2)OC)C3=C1C4=C(C3=O)C=C(C=C4)OC	DKQAHBHGPUNTSH-UHFFFAOYSA-N
DG67794	"2,9-dimethoxy-6-(2-(piperidin-1-yl)ethoxy)-11H-indeno[1,2-c]quinolin-11-one"	54673454	"NSC754240; NSC-754240; 2,9-dimethoxy-6-(2-(piperidin-1-yl)ethoxy)-11H-indeno[1,2-c]quinolin-11-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754240	.	.	.	.	418.5	C25H26N2O4	60.9	625	4.5	31	0	6	6	"InChI=1S/C25H26N2O4/c1-29-16-6-8-18-19(14-16)24(28)22-20-15-17(30-2)7-9-21(20)26-25(23(18)22)31-13-12-27-10-4-3-5-11-27/h6-9,14-15H,3-5,10-13H2,1-2H3"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=CC(=C4)OC)N=C3OCCN5CCCCC5	AOOSGAURZWVDSJ-UHFFFAOYSA-N
DG67795	"5-(2-(dimethylamino)ethyl)-2,3,9-trimethoxy-5H-indeno[1,2-c]quinoline-6,11-dione"	54673459	"NSC754239; NSC-754239; 5-(2-(dimethylamino)ethyl)-2,3,9-trimethoxy-5H-indeno[1,2-c]quinoline-6,11-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754239	.	.	.	.	408.4	C23H24N2O5	70.1	602	3.6	30	0	7	7	"InChI=1S/C23H24N2O5/c1-25(2)8-9-30-23-21-14-7-6-13(27-3)10-15(14)22(26)20(21)16-11-18(28-4)19(29-5)12-17(16)24-23/h6-7,10-12H,8-9H2,1-5H3"	CN(C)CCOC1=NC2=CC(=C(C=C2C3=C1C4=C(C3=O)C=C(C=C4)OC)OC)OC	NVPBUUVWQREGKX-UHFFFAOYSA-N
DG67796	"6-(3-(dimethylamino)ethoxy)-2,3,9-trimethoxy-11H-indeno[1,2-c]quinolin-11-one"	54673460	"NSC754238; NSC-754238; 6-(3-(dimethylamino)ethoxy)-2,3,9-trimethoxy-11H-indeno[1,2-c]quinolin-11-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754238	.	.	.	.	436.5	C25H28N2O5	70.1	630	4.3	32	0	7	9	"InChI=1S/C25H28N2O5/c1-6-27(7-2)10-11-32-25-23-16-9-8-15(29-3)12-17(16)24(28)22(23)18-13-20(30-4)21(31-5)14-19(18)26-25/h8-9,12-14H,6-7,10-11H2,1-5H3"	CCN(CC)CCOC1=NC2=CC(=C(C=C2C3=C1C4=C(C3=O)C=C(C=C4)OC)OC)OC	RMSUVPXXLDCLPO-UHFFFAOYSA-N
DG67797	alpha-Cyclopiazonic acid	54675761	".alpha.-Cyclopiazonic acid; NSC117181; 9H-Pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one, 10-acetyl-2,6,6a,7,11a,11b-hexahydro-11-hydroxy-7,7-dimethyl-, (6a.alpha.,11a.beta.,11b.alpha.)-; 10-Acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one; 9H-Pyrrolo(1',2':2,3)isoindolo(4,5,6-cd)indol-9-one, 10-acetyl-2,6,6a,7,11a,11b-hexahydro-11-hydroxy-7,7-dimethyl-, (6a.alpha.,11a,11b.alpha.)-; 9H-Pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one, 10-acetyl-2,6,6a,7,11a,11B-hexahydro-11-hydroxy-7,7-dimethyl-, (6a.alpha.,11a,11b.alpha.)-; Spectrum_001538; Spectrum2_000796; Spectrum3_001877; Spectrum4_000119; Spectrum5_001657; CBiol_001746; BSPBio_003354; KBioGR_000023; KBioGR_000478; KBioSS_000023; KBioSS_002018; DivK1c_000037; SPECTRUM1503912; SPBio_000932; acetyl-hydroxy-dimethyl-[ ]one; CHEMBL1325652; SCHEMBL17973530; BCBcMAP01_000213; HMS500B19; KBio1_000037; KBio2_000023; KBio2_002018; KBio2_002591; KBio2_004586; KBio2_005159; KBio2_007154; KBio3_000045; KBio3_000046; KBio3_002856; NINDS_000037; Bio1_000032; Bio1_000521; Bio1_001010; Bio2_000023; Bio2_000503; HMS1361B05; CCG-38989; NSC-117181; IDI1_000037; IDI1_033773; SMP1_000094; NCGC00095909-01; NCGC00095909-02; NCI60_000397; FT-0624278; 10-Acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one #; 1212211-11-4; 9H-Pyrrolo(1',2':2,3)isoindolo(4,5,6-cd)indol-9-one, 2,6,6a,7,11a,11b-hexahydro-10-acetyl-7,7-dimethyl-11-hydroxy-, (6a-.alpha.,11a,11b-.alpha.)-; 9H-Pyrrolo[1',3]isoindolo[4,5,6-cd]indol-9-one, 10-acetyl-2,6,6a,7,11a,11B-hexahydro-11-hydroxy-7,7-dimethyl-, (6a.alpha.,11a,11b.alpha.)-; 9H-Pyrrolo[1',3]isoindolo[4,5,6-cd]indol-9-one, 10-acetyl-2,6,6a,7,11a,11b-hexahydro-11-hydroxy-7,7-dimethyl-, (6a.alpha.,11a.beta.,11b.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117181	.	.	.	.	336.4	C20H20N2O3	73.4	697	2.2	25	2	3	1	"InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3"	CC(=O)C1=C(C2C3C(CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O	SZINUGQCTHLQAZ-UHFFFAOYSA-N
DG67798	"methyl (8S)-5-hydroxy-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6-carboxylate"	54676212	NSC619217; CHEMBL1996171; NSC-619217; NCI60_005745	.	.	Investigative Drug(s)	Investigative	Small molecular drug	619217	.	.	.	.	414.4	C22H22O8	92.7	650	3.7	30	1	8	6	"InChI=1S/C22H22O8/c1-25-18-5-11(6-19(26-2)21(18)27-3)12-7-15(22(24)28-4)20(23)14-9-17-16(8-13(12)14)29-10-30-17/h5-6,8-9,12,23H,7,10H2,1-4H3/t12-/m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@@H]2CC(=C(C3=CC4=C(C=C23)OCO4)O)C(=O)OC	SFGVSZCPDPXCTL-LBPRGKRZSA-N
DG67799	tert-butyl N-[4-[1-benzyl-4-(2-diethoxyphosphorylacetyl)-3-hydroxy-5-oxo-2H-pyrrol-2-yl]butyl]carbamate	54676215	NSC620616; CHEMBL1996896; NSC-620616; NCI60_006107	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620616	.	.	.	.	538.6	C26H39N2O8P	132	866	2.9	37	2	8	16	"InChI=1S/C26H39N2O8P/c1-6-34-37(33,35-7-2)18-21(29)22-23(30)20(15-11-12-16-27-25(32)36-26(3,4)5)28(24(22)31)17-19-13-9-8-10-14-19/h8-10,13-14,20,30H,6-7,11-12,15-18H2,1-5H3,(H,27,32)"	CCOP(=O)(CC(=O)C1=C(C(N(C1=O)CC2=CC=CC=C2)CCCCNC(=O)OC(C)(C)C)O)OCC	JNQFUOXMQBUVKI-UHFFFAOYSA-N
DG67800	"Methyl 9-cyano-5-hydroxy-2-oxo-7,8-diphenyl-1,3-dihydro-1-benzazepine-4-carboxylate"	54676222	NSC621871; CHEMBL2001436; ZINC6379014; NSC-621871; NCI60_006377	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621871	.	.	.	.	410.4	C25H18N2O4	99.4	770	4	31	2	5	4	"InChI=1S/C25H18N2O4/c1-31-25(30)19-13-21(28)27-23-18(24(19)29)12-17(15-8-4-2-5-9-15)22(20(23)14-26)16-10-6-3-7-11-16/h2-12,29H,13H2,1H3,(H,27,28)"	COC(=O)C1=C(C2=C(C(=C(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)NC(=O)C1)O	GMVSBGAEOYADLZ-UHFFFAOYSA-N
DG67801	"4-Hydroxy-2-oxo-1-prop-2-ynylbenzo[b][1,8]naphthyridine-3-carbonitrile"	54676230	NSC625354; CHEMBL1976270; NSC-625354; NCI60_007816	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625354	.	.	.	.	275.26	C16H9N3O2	77.2	591	2.1	21	1	4	1	"InChI=1S/C16H9N3O2/c1-2-7-19-15-11(14(20)12(9-17)16(19)21)8-10-5-3-4-6-13(10)18-15/h1,3-6,8,20H,7H2"	C#CCN1C2=NC3=CC=CC=C3C=C2C(=C(C1=O)C#N)O	RAGOFBGAHJWKNN-UHFFFAOYSA-N
DG67802	4-Hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-(4-nitrophenyl)methyl]chromen-2-one	54676522	"NSC686389; CHEMBL81935; CHEMBL410935; 3,3'-[(4-nitrophenyl)methylene]bis(4-hydroxy-2H-chromen-2-one); 4-hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-(4-nitrophenyl)methyl]chromen-2-one; MLS000688710; cid_389785; HMS2613A09; BDBM50055690; BDBM50423626; EiM07-30323; STK392538; AKOS001632494; ZINC100247702; MCULE-4983054509; NSC-686389; NCI60_031109; SMR000284666; EU-0071506; 3,3'-(4-Nitrobenzylidene)bis[4-hydroxycoumarin]; SR-01000432680; SR-01000432680-1; [4-[bis(2-hydroxy-4-oxo-chromen-3-yl)methyl]phenyl]azinic acid; 3,3'-(4-Nitrobenzylidene)bis(4-hydroxy-2H-1-benzopyran-2-one); 3,3'-[(4-nitrophenyl)methanediyl]bis(4-hydroxy-2H-chromen-2-one); 2H-1-Benzopyran-2-one, 3,3'-[(4-nitrophenyl)methylene]bis[4-hydroxy-; 3,3'-[(4-nitrophenyl)methylene]bis(4-hydroxy-2h-1-benzopyran-2-one); 4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(4-nitrophenyl)methyl]-2H-2-chromenone; 10172-70-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686389	.	.	.	.	457.4	C25H15NO8	139	868	3.8	34	2	8	3	"InChI=1S/C25H15NO8/c27-22-15-5-1-3-7-17(15)33-24(29)20(22)19(13-9-11-14(12-10-13)26(31)32)21-23(28)16-6-2-4-8-18(16)34-25(21)30/h1-12,19,27-28H"	C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC=C(C=C3)[N+](=O)[O-])C4=C(C5=CC=CC=C5OC4=O)O)O	OGZSNWHXIZDTOX-UHFFFAOYSA-N
DG67803	6-O-Palmitoylascorbic acid	54676825	"Cetyl ascorbate; Ondascora; Quicifal; Ascorbyl palmitic acid; L-Ascorbyl palmitate; Palmitoyl L-ascorbic acid; 6-Monopalmitoyl-L-ascorbate; 1-Ascorbyl palmitate; Ascorbic acid palmitate; 6-Hexadecanoyl-L-ascorbic acid; L-Ascorbyl monopalmitate; 6-Palmitoylascorbic acid; L-Ascorbic acid, 6-palmitate; Ascorbic palmitate; Ascorbyl monopalmitate; Palmitic acid, ester with ascorbic acid; 6-O-Palmitoylascorbic acid; Ascorboyl palmitate; Ascorbylpalmitic acid; Ascorbyl 6-palmitate; 6-Palmitoyl-L-ascorbic acid; 2-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl hexadecanoate; NSC 402451; vitamin C-palmitate; 6-o-hexadecanoylhex-1-enofuranos-3-ulose; NSC-402451; L-Ascorbylpalmitate; NCGC00161605-01; Ascorbyl palmitate, USAN; UPCMLD-DP030; SCHEMBL285433; SCHEMBL2617115; CHEMBL1566067; UPCMLD-DP030:001; DTXSID00974439; LMFA07010788; NSC402451; AKOS015895924; MCULE-1757724844; NCGC00161605-02; NCI60_003777; FT-0622493; Hexadecanoic acid 2-(2,5-dihydro-5-oxo-3,4-dihydroxyfuran-2-yl)2-hydroxyethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	402451	.	.	.	.	414.5	C22H38O7	113	515	6.3	29	3	7	18	"InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3"	CCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)O)O)O	QAQJMLQRFWZOBN-UHFFFAOYSA-N
DG67804	"D-erythro-Hex-2-enonic acid, gamma-lactone"	54676860	"DL-Ascorbic acid; 62624-30-0; D-erythro-Hex-2-enonic acid, gamma-lactone; NSC8117; NSC33832; 2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one; 5-(1,2-dihydroxyethyl)-3,4-dihydroxy-2,5-dihydrofuran-2-one; Erycorbin; 89924-69-6; Celin; Neo-cebicure; Saccharosonic acid; Glucosaccharonic acid; component of Cortalex; component of Ferancee; 5-(1,2-dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one (non-preferred name); Xyloascorbic acid, L-; 1129294-89-8; L-Threoascorbic acid,Antiscorbutic factor,Vitamin C;(R)-5-((S)-1,2-Dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one; D-erythro-Hex-2-enonic acid, .gamma.-lactone; Vitamin C (Ascorbic acid); Iron-ascorbic acid complexes; D-ASCORBIC ACID, ISO; SR-01000389660; 2-(1,2-Dihydroxyethyl)-4,5-dihydroxyfuran-3-one; ascorbyl; MFCD00005378; NSC-33832; DL-Ascorbinsaure; ascorbic acid usp; iso-Ascorbic acid; NSC-218455; Prestwick_683; EINECS 263-644-3; Mercate '5'; 5-(1,2-dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one; Vitamin C, granulated; Ascorbic Acid DC-97; Araboascorbic acid, D-; SCHEMBL786; L-Ascorbic acid-[13C6]; Oprea1_099167; 3,4-Dihydroxy-5-[(S)-1,2-dihydroxyethyl]furan-2(5H)-one; MLS006011447; SCHEMBL332736; L-Ascorbic acid-iron complexes; BARBERRY BARK RT (Powder); CHEMBL1161421; 5-(1,2-dihydroxyethyl)-3,4-dihydroxy-5-hydrofuran-2-one; L-Ascorbic acid, iron(2+) salt; HMS3370P18; HMS3372D17; HMS3651P22; NSC-8117; WLN: T5OV EHJ CQ DQ EYQ1Q; BBL008110; HSCI1_000271; NSC218455; STK023644; 5-(1,2-dihydroxyethyl)-3,4-dihydroxy-2(5H)-furanone (non-preferred name); AKOS000487668; AKOS015915124; AKOS016352178; MCULE-2354296394; SB44719; SB60900; SMP2_000183; Technetium-99 labeled ferrous ascorbate; NCGC00094971-01; NCGC00094971-02; NCGC00248925-01; NCI60_002981; SMR003217638; SY010444; VS-01830; DB-057152; Iron Bio Iron MS Bisglycinate Hydrochloride; FT-0624450; FT-0627701; FT-0652639; L-threo-Hex-2-enonic acid, .gamma.-lactone; (2R)-2-[(1S)-1,5-dihydroxyfuran-3-one; EN300-18134; A833894; 2-(1,2-dihydroxyethyl)-4,5-dihydroxy-3-furanone; SR-01000389660-1; SR-01000389660-3; Z57201291; 3,4-Dihydroxy-5-(1,2-dihydroxyethyl)furan-2(5H)-one; 2-[1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; 3,4-dihydroxy-5-(1',2'-dihydroxyethyl)-2(5H)-furanone; 5-(1,2-dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one, AldrichCPR; 2252244-20-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33832	.	.	.	.	176.12	C6H8O6	107	232	-1.6	12	4	6	2	"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2"	C(C(C1C(=C(C(=O)O1)O)O)O)O	CIWBSHSKHKDKBQ-UHFFFAOYSA-N
DG67805	Bactobolin	54676871	"Bactobolin; 72615-20-4; NSC325014; UNII-EOF7S67HS2; EOF7S67HS2; Antibiotic BN 183B; NSC-325014; BN 183B; (-)-Bactobolin; Y 12278; MLS002702960; NSC 325014; Y-12278; CHEMBL489472; SCHEMBL23359158; SCHEMBL23370256; DTXSID20222944; CHEBI:138579; ZINC100368011; (2S)-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-1,5,6-trihydroxy-3-methyl-8-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-aminopropanamide; NCI60_002819; Propanamide, 2-amino-N-(3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl)-, (3S-(3alpha,4alpha(R*),4abeta,5beta,6alpha))-; (2S)-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-amino-propanamide; 2-Amino-N-[3-(dichloromethyl)-3,4,4a,5,6,7- hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2- benzopyran-4-yl], Propanamide; Propanamide,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl-, (3S-(3.alpha.,4.alpha.(R*),4a.beta.,5.beta.,6.alpha.))-; Propanamide,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-, [3S-[3.alpha.,4.alpha.(R*),4a.beta.,5.beta.,6.alpha.]]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	325014	.	.	.	.	383.2	C14H20Cl2N2O6	142	584	-0.3	24	5	7	3	"InChI=1S/C14H20Cl2N2O6/c1-4(17)11(22)18-10-8-7(5(19)3-6(20)9(8)21)12(23)24-14(10,2)13(15)16/h4,6,8-10,13,19-21H,3,17H2,1-2H3,(H,18,22)/t4-,6+,8-,9-,10+,14-/m0/s1"	C[C@@H](C(=O)N[C@@H]1[C@@H]2[C@H]([C@@H](CC(=C2C(=O)O[C@]1(C)C(Cl)Cl)O)O)O)N	RBCHRRIVFAIGFI-RGBMRXMBSA-N
DG67806	2-Hydroxy-3-[(2-hydroxy-4-oxo-chromen-3-yl)-(4-propan-2-ylphenyl)methyl]chromen-4-one	54677783	"NSC157307; MLS003106456; NSC-157307; 4-hydroxy-3-((4-hydroxy-2-oxo-2H-chromen-3-yl)(4-isopropylphenyl)methyl)-2H-chromen-2-one; 4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(4-isopropylphenyl)methyl]-2H-chromen-2-one; Dicoumarol derivative, 5; NCIStruc1_001913; NCIStruc2_001656; CHEMBL237188; SCHEMBL4390609; CHEMBL1904453; cid_54677783; BDBM50226830; CCG-37327; EiM07-30327; NCGC00014428; NCI157307; STL464856; AKOS000522456; ZINC100135962; MCULE-1122498240; 2-hydroxy-3-[(2-hydroxy-4-oxo-chromen-3-yl)-(4-propan-2-ylphenyl)methyl]chromen-4-one; NCGC00014428-02; NCGC00097533-01; NCI60_001136; SMR001821359; 3,3'-(4-isopropylbenzylidene)bis(4-hydroxycoumarin); 3,3'-(4-isopropylbenzylidene)-bis-(4-hydroxycoumarin); 3,3'-(4-Isopropylbenzylidene)bis(4-hydroxy-2H-1-benzopyran-2-one); 3,3'-{[4-(propan-2-yl)phenyl]methanediyl}bis(4-hydroxy-2H-chromen-2-one); 2H-1-Benzopyran-2-one, 3,3'-[[4-(1-methylethyl)phenyl]methylene]bis[4-hydroxy-; 4-hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-(4-isopropylphenyl)methyl]chromen-2-one; 200060-89-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157307	.	.	.	.	454.5	C28H22O6	93.1	819	5.1	34	2	6	4	"InChI=1S/C28H22O6/c1-15(2)16-11-13-17(14-12-16)22(23-25(29)18-7-3-5-9-20(18)33-27(23)31)24-26(30)19-8-4-6-10-21(19)34-28(24)32/h3-15,22,29-30H,1-2H3"	CC(C)C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O	HJFQCLUSKVFGHQ-UHFFFAOYSA-N
DG67807	NSC159628	54679209	"(8,8'-Bi-1H-naphtho(2,3-c)pyran)-3,3'-diacetic acid, 3,3',4,4'-tetrahydro-9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-, dimethyl ester; 39277-41-3; SC 28762; NSC159628; SCHEMBL13024388; Spiro[2-cyclohexene-1,2'(1'H)-cyclopenta[de]naphthacene]-9'-carboxamide, 7',7'a,8',11',11'a,12'-hexahydro-5',6',7'a,10',11'a,12'-hexahydroxy-3'-methoxy-2,6,6-trimethyl-7',8'-dioxo-, (2'.alpha.,7'a.beta.,11'a.beta.,12'.beta.)-(-)-; HY-129208; CS-0104456; (8,8'-Bi-1H-naphtho(2,3-c)pyran)-3,3'-diacetic acid, 3,3',4,4'-tetrahydro-9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-, dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	159628	.	.	.	.	565.6	C30H31NO10	208	1290	2.3	41	7	10	2	"InChI=1S/C30H31NO10/c1-11-6-5-7-27(2,3)28(11)9-12-16-18(13(32)8-15(41-4)21(16)28)22(34)20-17(12)23(35)29(39)10-14(33)19(26(31)38)24(36)30(29,40)25(20)37/h6,8,23,32,34-36,39-40H,5,7,9-10H2,1-4H3,(H2,31,38)"	CC1=CCCC(C12CC3=C4C2=C(C=C(C4=C(C5=C3C(C6(CC(=O)C(=C(C6(C5=O)O)O)C(=O)N)O)O)O)O)OC)(C)C	FNSQKFOXORBCCC-UHFFFAOYSA-N
DG67808	"5-(13-(3-Furyl)-2,6,10-trimethyl-6,8-tridecadienylidene)-4-hydroxy-3-methyl-2(5H)-furanone"	54679364	"NSC625519; CHEMBL1975354; NSC-625519; (5Z)-5-[(6E,8E)-13-(3-furyl)-2,6,10-trimethyl-trideca-6,8-dienylidene]-4-hydroxy-3-methyl-furan-2-one; 5-(13-(3-Furyl)-2,6,10-trimethyl-6,8-tridecadienylidene)-4-hydroxy-3-methyl-2(5H)-furanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625519	.	.	.	.	398.5	C25H34O4	59.7	668	7.1	29	1	4	11	"InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h5,8-9,14-17,19-20,26H,6-7,10-13H2,1-4H3/b9-5+,18-8+,23-16-"	CC1=C(/C(=C/C(C)CCC/C(=C/C=C/C(C)CCCC2=COC=C2)/C)/OC1=O)O	HSRYYQFDLALWMZ-NGBZOJJOSA-N
DG67809	"Dimethyl 4,5-dihydroxycyclopenta-3,5-diene-1,3-dicarboxylate"	54679372	"NSC632938; CHEMBL2009231; ZINC6379013; NCI60_010878; dimethyl 4,5-dihydroxycyclopenta-3,5-diene-1,3-dicarboxylate; 1,4-Cyclopentadienedicarboxylic acid, 2,3-dihydroxy-, dimethyl ester-; 1,4-Cyclopentadienedicarboxylic acid, 2,3-dihydroxy-, dimethyl ester, disodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632938	.	.	.	.	214.17	C9H10O6	93.1	340	0.8	15	2	6	4	"InChI=1S/C9H10O6/c1-14-8(12)4-3-5(9(13)15-2)7(11)6(4)10/h10-11H,3H2,1-2H3"	COC(=O)C1=C(C(=C(C1)C(=O)OC)O)O	KPTUUTPAONOVKJ-UHFFFAOYSA-N
DG67810	"5,5'-(3-Nitro-4-chlorobenzylidene)bis(6-oxo-4-hydroxy-2-morpholino-1,6-dihydropyridine-3-carboxylic acid ethyl) ester"	54680275	"NSC701638; CHEMBL2007452; NSC-701638; NCI60_036458; 5,5'-(3-Nitro-4-chlorobenzylidene)bis(6-oxo-4-hydroxy-2-morpholino-1,6-dihydropyridine-3-carboxylic acid ethyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701638	.	.	.	.	704.1	C31H34ClN5O12	222	1410	2	49	4	14	11	"InChI=1S/C31H34ClN5O12/c1-3-48-30(42)22-24(38)20(28(40)33-26(22)35-7-11-46-12-8-35)19(16-5-6-17(32)18(15-16)37(44)45)21-25(39)23(31(43)49-4-2)27(34-29(21)41)36-9-13-47-14-10-36/h5-6,15,19H,3-4,7-14H2,1-2H3,(H2,33,38,40)(H2,34,39,41)"	CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=C(C(=C(NC3=O)N4CCOCC4)C(=O)OCC)O)N5CCOCC5	AUDYBDDPCIEKOO-UHFFFAOYSA-N
DG67811	Ikarugamycin	54680304	"Ikarugamycin; 36531-78-9; CHEMBL4283254; CHEBI:75276; DTXSID501017235; MFCD01722005; NSC789948; AKOS030213232; NSC-789948; TU-6239 C3; HY-119764; CS-0077951; 14,17-Metheno-17H-as-indaceno[3,2-k][1,6]diazacycloheptadecine-9,16,18(1H)-trione; (2R,3R,3aS,5aR,5bS,7Z,14S,19E,20aS,21aR,21bR)-3-ethyl-22-hydroxy-2-methyl-2,3,3a,5a,5b,6,10,11,12,13,14,15,20a,21,21a,21b-hexadecahydro-1H-14,17-(metheno)-as-indaceno[3,2-k][1,6]diazacycloheptadecine-9,16,18(17H)-trione; 3-Ethyl-2,3,3a,5a,5b,6,10,11,12,13,14,15,20a,21,21a,21b-hexadecahydro-22-hydroxy-2-methyl-, (2R,3R,3aS,5aR,5bS,7Z,14S,19E,20aS,21aR,21bR)-; IKA"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789948	.	.	.	.	478.6	C29H38N2O4	95.5	1010	5	35	3	4	1	"InChI=1S/C29H38N2O4/c1-3-18-16(2)14-22-20(18)10-11-21-19-6-4-8-26(33)30-13-5-7-24-28(34)27(29(35)31-24)25(32)12-9-17(19)15-23(21)22/h4,8-12,16-24,32H,3,5-7,13-15H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,12-9+,27-25-/t16-,17-,18-,19+,20+,21-,22+,23+,24+/m1/s1"	CC[C@@H]1[C@@H](C[C@H]2[C@H]1C=C[C@H]3[C@@H]2C[C@@H]/4[C@@H]3C/C=C\\C(=O)NCCC[C@H]5C(=O)/C(=C(\\C=C4)/O)/C(=O)N5)C	GHXZHWYUSAWISC-KZRBWAKNSA-N
DG67812	"4-Hydroxy-1-methyl-3-phenyl-1,2-dihydroquinolin-2-one"	54680431	"519-66-4; 4-hydroxy-1-methyl-3-phenyl-1,2-dihydroquinolin-2-one; 4-hydroxy-1-methyl-3-phenylquinolin-2(1H)-one; 4-hydroxy-1-methyl-3-phenylquinolin-2-one; NSC675808; 4-Hydroxy-1-methyl-3-phenyl-2(1H)-quinolinone; Arboricin; Maybridge1_002197; Oprea1_422676; MLS000682646; CHEMBL1410733; HMS547L19; DTXSID40715681; HMS2611L10; BTB 11565; MFCD00204485; AKOS005022140; ZINC100004036; CCG-103843; MCULE-1788085362; NSC-675808; NCGC00160205-01; NCI60_026751; SMR000312003; DB-017547; 4-hydroxy-1-methyl-3-phenyl-quinolin-2-one; EU-0032406; FT-0618616; AB00598941-06; SR-01000589273; SR-01000589273-1; BRD-K29393680-001-08-1; NCGC00160205-01!N-methyl-2,4-Dihydroxy-3-phenylquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675808	.	.	.	.	251.28	C16H13NO2	40.5	396	2.5	19	1	2	1	"InChI=1S/C16H13NO2/c1-17-13-10-6-5-9-12(13)15(18)14(16(17)19)11-7-3-2-4-8-11/h2-10,18H,1H3"	CN1C2=CC=CC=C2C(=C(C1=O)C3=CC=CC=C3)O	CLKIYIWKKBDFBS-UHFFFAOYSA-N
DG67813	"3-[3-(1,3-Benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-3-oxo-propyl]-4-hydroxy-chromen-2-one"	54680474	"NSC208759; MLS003107224; CHEMBL2139849; NSC-208759; NCI60_001748; SMR001822099; 2H-1-Benzopyran-2-one, 3-[3-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-3-oxopropyl]-4-hydroxy-; 3-[3-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-3-oxo-propyl]-4-hydroxy-chromen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	208759	.	.	.	.	474.5	C27H22O8	101	824	4.1	35	1	8	7	"InChI=1S/C27H22O8/c1-31-21-9-7-15(11-23(21)32-2)18(13-19(28)16-8-10-22-24(12-16)34-14-33-22)25-26(29)17-5-3-4-6-20(17)35-27(25)30/h3-12,18,29H,13-14H2,1-2H3"	COC1=C(C=C(C=C1)C(CC(=O)C2=CC3=C(C=C2)OCO3)C4=C(C5=CC=CC=C5OC4=O)O)OC	KAEJNAAQVHOUJZ-UHFFFAOYSA-N
DG67814	"3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-(2-naphthyl)methyl]-4,7-dihydroxy-chromen-2-one"	54680670	"NSC686575; CHEMBL309502; BDBM50055713; NSC-686575; NCI60_031239; 3,3'-(2-Naphthylmethylene)bis(4,7-dihydroxycoumarin); 3,3'-(2-Naphthalenomethylene)bis[4,7-dihydroxycoumarin]; 3-[(4,7-dihydroxy-2-oxo-chromen-3-yl)-(2-naphthyl)methyl]-4,7-dihydroxy-chromen-2-one; 3-[4,7-dihydroxy-2-oxo-2H-3-chromenyl(2-naphthyl)methyl]-4,7-dihydroxy-2H-2-chromenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686575	.	.	.	.	494.4	C29H18O8	134	938	4.6	37	4	8	3	"InChI=1S/C29H18O8/c30-17-7-9-19-21(12-17)36-28(34)24(26(19)32)23(16-6-5-14-3-1-2-4-15(14)11-16)25-27(33)20-10-8-18(31)13-22(20)37-29(25)35/h1-13,23,30-33H"	C1=CC=C2C=C(C=CC2=C1)C(C3=C(C4=C(C=C(C=C4)O)OC3=O)O)C5=C(C6=C(C=C(C=C6)O)OC5=O)O	XUGKUQFLVGMDAZ-UHFFFAOYSA-N
DG67815	3-[[4-[(4-Benzoylphenyl)methoxy]phenyl]-(4-hydroxy-2-oxo-chromen-3-yl)methyl]-4-hydroxy-chromen-2-one	54680779	"NSC689412; CHEMBL1964379; NSC-689412; NCI60_032191; 2H-1-Benzopyran-2-one, 3,3'-[[4-[(4-benzoylphenyl)methoxy]phenyl]methylene]bis[4-hydroxy-; 3,3'-[4-[(4-Benzoylbenzyl)oxy]benzylidene]bis(4-hydroxy-2H-1-benzopyran-2-one); 3-[[4-[(4-benzoylphenyl)methoxy]phenyl]-(4-hydroxy-2-oxo-chromen-3-yl)methyl]-4-hydroxy-chromen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689412	.	.	.	.	622.6	C39H26O8	119	1170	6.8	47	2	8	8	"InChI=1S/C39H26O8/c40-35(25-8-2-1-3-9-25)26-16-14-23(15-17-26)22-45-27-20-18-24(19-21-27)32(33-36(41)28-10-4-6-12-30(28)46-38(33)43)34-37(42)29-11-5-7-13-31(29)47-39(34)44/h1-21,32,41-42H,22H2"	C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)C(C4=C(C5=CC=CC=C5OC4=O)O)C6=C(C7=CC=CC=C7OC6=O)O	BGQNUSVZARFIMD-UHFFFAOYSA-N
DG67816	"tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(4-methoxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	54681580	NSC712408; CHEMBL1970504; NSC-712408; NCI60_039342	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712408	.	.	.	.	492.5	C24H28O11	155	888	1.7	35	2	11	10	"InChI=1S/C24H28O11/c1-31-12-8-6-11(7-9-12)13-10-14-15(20(26)32-2)19(25)18(23(29)35-5)24(30,16(13)21(27)33-3)17(14)22(28)34-4/h6-9,13-14,16-18,25,30H,10H2,1-5H3/t13-,14-,16-,17-,18 ,24+/m0/s1"	COC1=CC=C(C=C1)[C@@H]2C[C@@H]3[C@H]([C@]([C@@H]2C(=O)OC)(C(C(=C3C(=O)OC)O)C(=O)OC)O)C(=O)OC	DBEGLZYNHNSJLZ-HECJEKJZSA-N
DG67817	"tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(3-methoxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	54681581	NSC712409; CHEMBL2003064; NSC-712409; NCI60_039343	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712409	.	.	.	.	492.5	C24H28O11	155	896	1.7	35	2	11	10	"InChI=1S/C24H28O11/c1-31-12-8-6-7-11(9-12)13-10-14-15(20(26)32-2)19(25)18(23(29)35-5)24(30,16(13)21(27)33-3)17(14)22(28)34-4/h6-9,13-14,16-18,25,30H,10H2,1-5H3/t13-,14-,16-,17-,18 ,24+/m0/s1"	COC1=CC=CC(=C1)[C@@H]2C[C@@H]3[C@H]([C@]([C@@H]2C(=O)OC)(C(C(=C3C(=O)OC)O)C(=O)OC)O)C(=O)OC	IHUSGBBAGWXRFV-HECJEKJZSA-N
DG67818	"tetramethyl (1R,5R,6R,7R,9R)-7-(3,4-dimethoxyphenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	54681582	NSC712410; CHEMBL1987765; NSC-712410; NCI60_039344	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712410	.	.	.	.	522.5	C25H30O12	164	944	1.7	37	2	12	11	"InChI=1S/C25H30O12/c1-32-14-8-7-11(9-15(14)33-2)12-10-13-16(21(27)34-3)20(26)19(24(30)37-6)25(31,17(12)22(28)35-4)18(13)23(29)36-5/h7-9,12-13,17-19,26,31H,10H2,1-6H3/t12-,13-,17-,18-,19 ,25+/m0/s1"	COC1=C(C=C(C=C1)[C@@H]2C[C@@H]3[C@H]([C@]([C@@H]2C(=O)OC)(C(C(=C3C(=O)OC)O)C(=O)OC)O)C(=O)OC)OC	XCBZDQYTBGZIMS-PCXALJEHSA-N
DG67819	NSC717065	54681586	"tetramethyl (1R,5R,6S,9S)-3,5-dihydroxy-7-[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl]bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate; NSC717065; NSC-717065"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717065	.	.	.	.	608.6	C32H32O12	172	1180	3.6	44	2	12	13	"InChI=1S/C32H32O12/c1-40-28(35)23-21-16-20(18-11-13-19(14-12-18)44-22(33)15-10-17-8-6-5-7-9-17)24(29(36)41-2)32(39,25(21)30(37)42-3)26(27(23)34)31(38)43-4/h5-15,20-21,24-26,34,39H,16H2,1-4H3/b15-10+/t20 ,21-,24+,25+,26 ,32+/m0/s1"	COC(=O)[C@H]1[C@H]2CC([C@@H]([C@@]1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)OC(=O)/C=C/C4=CC=CC=C4	ICHORRBWBMIVNU-JUFLYIRRSA-N
DG67820	NSC717066	54681587	"tetramethyl (1R,5R,6S,9S)-7-[4-[(E)-2,3-diphenylprop-2-enoyl]oxyphenyl]-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate; NSC717066; NSC-717066"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717066	.	.	.	.	684.7	C38H36O12	172	1350	5.2	50	2	12	14	"InChI=1S/C38H36O12/c1-46-34(41)28-27-20-25(29(35(42)47-2)38(45,30(27)36(43)48-3)31(32(28)39)37(44)49-4)23-15-17-24(18-16-23)50-33(40)26(22-13-9-6-10-14-22)19-21-11-7-5-8-12-21/h5-19,25,27,29-31,39,45H,20H2,1-4H3/b26-19+/t25 ,27-,29+,30+,31 ,38+/m0/s1"	COC(=O)[C@H]1[C@H]2CC([C@@H]([C@@]1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)OC(=O)/C(=C/C4=CC=CC=C4)/C5=CC=CC=C5	LQNQXFAWBLSLLP-VSXQVVOQSA-N
DG67821	NSC717067	54681588	"tetramethyl (1R,5R,6S,9S)-7-[4-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxyphenyl]-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate; NSC717067; NSC-717067"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717067	.	.	.	.	753.6	C38H34Cl2O12	172	1420	6.5	52	2	12	14	"InChI=1S/C38H34Cl2O12/c1-48-34(43)28-27-18-25(29(35(44)49-2)38(47,30(27)36(45)50-3)31(32(28)41)37(46)51-4)20-9-15-24(16-10-20)52-33(42)26(21-7-13-23(40)14-8-21)17-19-5-11-22(39)12-6-19/h5-17,25,27,29-31,41,47H,18H2,1-4H3/b26-17+/t25 ,27-,29+,30+,31 ,38+/m0/s1"	COC(=O)[C@H]1[C@H]2CC([C@@H]([C@@]1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)OC(=O)/C(=C/C4=CC=C(C=C4)Cl)/C5=CC=C(C=C5)Cl	MSBYKDZWICVAQC-YOONOSBESA-N
DG67822	NSC647428	54681746	N'-[(1E)-2-[(Dimethylamino)methyl]-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-1-methyl-3-phenylpropylidene]-4-methylbenzenesulfonohydrazide hydrochloride; NSC647428; CHEMBL2001478; NSC-647428; N'-[(1E)-2-[(Dimethylamino)methyl]-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-1-methyl-3-phenylpropylidene]-4-methylbenzenesulfonohydrazide hydrochloride; N-[(E)-[2-(dimethylaminomethyl)-3-(4-hydroxy-2-oxo-chromen-3-yl)-1-methyl-3-phenyl-propylidene]amino]-4-methyl-benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647428	.	.	.	.	570.1	C29H32ClN3O5S	117	988	.	39	3	8	9	"InChI=1S/C29H31N3O5S.ClH/c1-19-14-16-22(17-15-19)38(35,36)31-30-20(2)24(18-32(3)4)26(21-10-6-5-7-11-21)27-28(33)23-12-8-9-13-25(23)37-29(27)34;/h5-17,24,26,31,33H,18H2,1-4H3;1H/b30-20+;"	CC1=CC=C(C=C1)S(=O)(=O)N/N=C(\\C)/C(CN(C)C)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl	SYHQRCSEHUZGGS-BNCTYUPTSA-N
DG67823	"3-[(3,5-Dibenzyloxyphenyl)-(4-hydroxy-2-oxo-chromen-3-yl)methyl]-4-hydroxy-chromen-2-one"	54682817	"NSC686385; CHEMBL84518; CHEMBL239843; BDBM50055688; NSC-686385; NCI60_031105; 3,3'-[3,5-Bis(benzyloxy)benzylidene]bis[4-hydroxycoumarin]; 3-[(3,5-dibenzyloxyphenyl)-(4-hydroxy-2-oxo-chromen-3-yl)methyl]-4-hydroxy-chromen-2-one; 3-[3,5-di(benzyloxy)phenyl(4-hydroxy-2-oxo-2H-3-chromenyl)methyl]-4-hydroxy-2H-2-chromenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686385	.	.	.	.	624.6	C39H28O8	112	1090	6.9	47	2	8	9	"InChI=1S/C39H28O8/c40-36-29-15-7-9-17-31(29)46-38(42)34(36)33(35-37(41)30-16-8-10-18-32(30)47-39(35)43)26-19-27(44-22-24-11-3-1-4-12-24)21-28(20-26)45-23-25-13-5-2-6-14-25/h1-21,33,40-41H,22-23H2"	C1=CC=C(C=C1)COC2=CC(=CC(=C2)C(C3=C(C4=CC=CC=C4OC3=O)O)C5=C(C6=CC=CC=C6OC5=O)O)OCC7=CC=CC=C7	FQZUYGVPYXUBRC-UHFFFAOYSA-N
DG67824	Lonchocarpic acid	54683839	"LONCHOCARPIC ACID; Chandanin; 5490-47-1; TDG7LQB7TF; UNII-TDG7LQB7TF; NSC307981; NSC 307981; Spectrum_000744; SpecPlus_000274; AI3-01135; Spectrum2_001762; Spectrum3_001259; Spectrum4_001468; Spectrum5_000115; BSPBio_002798; KBioGR_002015; KBioSS_001224; SPECTRUM300228; DivK1c_006370; SPBio_001623; CHEMBL1527366; SCHEMBL12062109; KBio1_001314; KBio2_001224; KBio2_003792; KBio2_006360; KBio3_002298; DTXSID60203398; CHEBI:109550; ZINC4175461; CCG-36049; LMPK12160023; AKOS004908699; NSC-307981; SDCCGMLS-0066476.P001; NCGC00095726-01; NCGC00095726-02; NCGC00178463-01; 2H,8H-Benzo(1,2-b:5,4-b')dipyran-2-one, 4-hydroxy-3-(p-hydroxyphenyl)-5-methoxy-8,8-dimethyl-10-(3-methyl-2-butenyl)- (8CI); 2H,8H-Benzo[1,2-b:5,4-b']dipyran-2-one, 4-hydroxy-3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-10-(3-methyl-2-butenyl)-; 2H,8H-Benzo[1,2-b:5,4-b']dipyran-2-one, 4-hydroxy-3-(p-hydroxyphenyl)-5-methoxy-8,8-dimethyl-10-(3-methyl-2-butenyl)-; NCI60_002632; BRD-K32049721-001-02-8; Q27188694; 2H,2-b:5,4-b']dipyran-2-one, 4-hydroxy-3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-10-(3-methyl-2-butenyl)-; 2H,2-b:5,4-b']dipyran-2-one, 4-hydroxy-3-(p-hydroxyphenyl)-5-methoxy-8,8-dimethyl-10-(3-methyl-2-butenyl)-; 4-Hydroxy-3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-10-(3-methyl-2-butenyl)-2H,8H-pyrano[3,2-g]chromen-2-one #; 6-hydroxy-7-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-pyrano[3,2-g][1]benzopyranone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	307981	.	.	.	.	434.5	C26H26O6	85.2	812	5.4	32	2	6	4	"InChI=1S/C26H26O6/c1-14(2)6-11-17-22-18(12-13-26(3,4)32-22)23(30-5)20-21(28)19(25(29)31-24(17)20)15-7-9-16(27)10-8-15/h6-10,12-13,27-28H,11H2,1-5H3"	CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)OC)C(=C(C(=O)O2)C4=CC=C(C=C4)O)O)C	QKTFIWUHGFCLHF-UHFFFAOYSA-N
DG67825	"tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(4-nitrophenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	54685701	NSC705287; CHEMBL1985283; NSC-705287; NCI60_037584	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705287	.	.	.	.	507.4	C23H25NO12	192	963	1.6	36	2	12	9	"InChI=1S/C23H25NO12/c1-33-19(26)14-13-9-12(10-5-7-11(8-6-10)24(31)32)15(20(27)34-2)23(30,16(13)21(28)35-3)17(18(14)25)22(29)36-4/h5-8,12-13,15-17,25,30H,9H2,1-4H3/t12-,13-,15-,16-,17 ,23+/m0/s1"	COC(=O)[C@@H]1[C@@H](C[C@@H]2[C@H]([C@]1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-]	LVFHGFLZGINWEB-MVHBULNSSA-N
DG67826	"2-Hydroxy-6-(3-oxobutyl)-1,6-cycloheptadiene-1-carboxylic acid methyl ester"	54685703	"NSC706133; CHEMBL1990630; NSC-706133; NCI60_037831; 2-Hydroxy-6-(3-oxobutyl)-1,6-cycloheptadiene-1-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706133	.	.	.	.	238.28	C13H18O4	63.6	377	1.5	17	1	4	5	"InChI=1S/C13H18O4/c1-9(14)6-7-10-4-3-5-12(15)11(8-10)13(16)17-2/h8,15H,3-7H2,1-2H3"	CC(=O)CCC1=CC(=C(CCC1)O)C(=O)OC	RXJPJSXRVNADKQ-UHFFFAOYSA-N
DG67827	"ethyl (2Z,5Z)-2-carbamoyl-6-(4-chlorophenyl)-3,6-dihydroxy-4-oxohexa-2,5-dienoate"	54685705	NSC707049; CHEMBL1993036; AKOS024280403; NSC-707049	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707049	.	.	.	.	339.73	C15H14ClNO6	127	546	2.6	23	3	6	7	"InChI=1S/C15H14ClNO6/c1-2-23-15(22)12(14(17)21)13(20)11(19)7-10(18)8-3-5-9(16)6-4-8/h3-7,18,20H,2H2,1H3,(H2,17,21)/b10-7-,13-12-"	CCOC(=O)/C(=C(/C(=O)/C=C(/C1=CC=C(C=C1)Cl)\\O)\\O)/C(=O)N	IKVPYHKJCXECIP-IUDDKACKSA-N
DG67828	"2-[(Z)-1,4-dihydroxy-2-oxo-4-phenylbut-3-enylidene]propanediamide"	54685707	NSC707067; CHEMBL1964476; NSC-707067; NCI60_038069	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707067	.	.	.	.	276.24	C13H12N2O5	144	471	1.2	20	4	5	5	"InChI=1S/C13H12N2O5/c14-12(19)10(13(15)20)11(18)9(17)6-8(16)7-4-2-1-3-5-7/h1-6,16,18H,(H2,14,19)(H2,15,20)/b8-6-"	C1=CC=C(C=C1)/C(=C/C(=O)C(=C(C(=O)N)C(=O)N)O)/O	GGXAHGZCNAQJIH-VURMDHGXSA-N
DG67829	"ethyl (2Z,5E)-5-bromo-2-carbamoyl-3,6-dihydroxy-4-oxo-6-phenylhexa-2,5-dienoate"	54685708	NSC707068; CHEMBL1984431; NSC-707068	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707068	.	.	.	.	384.18	C15H14BrNO6	127	560	2.9	23	3	6	7	"InChI=1S/C15H14BrNO6/c1-2-23-15(22)9(14(17)21)12(19)13(20)10(16)11(18)8-6-4-3-5-7-8/h3-7,18-19H,2H2,1H3,(H2,17,21)/b11-10+,12-9-"	CCOC(=O)/C(=C(/C(=O)/C(=C(/C1=CC=CC=C1)\\O)/Br)\\O)/C(=O)N	SAKXFIVJAZVQED-MWOVLNQWSA-N
DG67830	NSC648060	54686230	"(4E,6E,8E,10Z,16Z,18Z,20E,22E,24R,25S)-25,27-dihydroxy-26-methoxy-4,24-dimethyl-13-phenyl-3-oxa-14-azabicyclo[22.3.0]heptacosa-1(27),4,6,8,10,16,18,20,22-nonaene-2,15-dione; NSC648060; NSC-648060"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648060	.	.	.	.	555.7	C34H37NO6	105	1190	6.9	41	3	6	2	"InChI=1S/C34H37NO6/c1-25-19-13-8-4-5-9-16-22-27(26-20-14-12-15-21-26)35-28(36)23-17-10-6-7-11-18-24-34(2)29(33(39)41-25)30(37)31(40-3)32(34)38/h4-21,23-24,27,31-32,37-38H,22H2,1-3H3,(H,35,36)/b5-4+,10-6-,11-7+,13-8+,16-9-,23-17-,24-18+,25-19+/t27 ,31 ,32-,34-/m1/s1"	C/C/1=C\\C=C\\C=C\\C=C/CC(NC(=O)/C=C\\C=C/C=C/C=C/[C@]2([C@@H](C(C(=C2C(=O)O1)O)OC)O)C)C3=CC=CC=C3	GWYPHKYSRIAIBU-SZDRKWEPSA-N
DG67831	"3-[(4,7-dihydroxy-2-oxo-chromen-3-yl)-[4-[(E)-styryl]phenyl]methyl]-4,7-dihydroxy-chromen-2-one"	54686238	"NSC686394; CHEMBL314013; BDBM50055700; NSC-686394; 3,3'-(4-Stilbenomethylene)bis[4,7-dihydroxycoumarin]; 3-(4,7-dihydroxy-2-oxo-2H-3-chromenyl{4-[2-phenyl-(E)-1-ethenyl]phenyl}methyl)-4,7-dihydroxy-2H-2-chromenone; 3-[(4,7-dihydroxy-2-oxo-chromen-3-yl)-[4-[(E)-styryl]phenyl]methyl]-4,7-dihydroxy-chromen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686394	.	.	.	.	546.5	C33H22O8	134	1030	5.6	41	4	8	5	"InChI=1S/C33H22O8/c34-21-12-14-23-25(16-21)40-32(38)28(30(23)36)27(29-31(37)24-15-13-22(35)17-26(24)41-33(29)39)20-10-8-19(9-11-20)7-6-18-4-2-1-3-5-18/h1-17,27,34-37H/b7-6+"	C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C(C3=C(C4=C(C=C(C=C4)O)OC3=O)O)C5=C(C6=C(C=C(C=C6)O)OC5=O)O	REVJZDNNUGJQRS-VOTSOKGWSA-N
DG67832	"Dioxobis[1-(2-hydroxyphenyl-NC-azomethine)benzole-2-olato-(O1,N1)]uranium(VI)"	54687012	"NSC635904; NSC-635904; NCI60_011949; Dioxobis[1-(2-hydroxyphenyl-NC-azomethine)benzole-2-olato-(O1,N1)]uranium(VI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635904	.	.	.	.	692.5	C26H18N2O6U-4	145	617	.	35	2	10	2	"InChI=1S/2C13H10NO2.2O.U/c2*15-12-7-3-1-5-10(12)9-14-11-6-2-4-8-13(11)16;;;/h2*1-8,15-16H;;;/q2*-1;;;/p-2"	C1=CC=C(C(=C1)[C-]=NC2=CC=CC=C2O)[O-].C1=CC=C(C(=C1)[C-]=NC2=CC=CC=C2O)[O-].O=[U]=O	JQPYMGSAJGVKTI-UHFFFAOYSA-L
DG67833	4-Hydroxy-3-[(4-hydroxy-1-methyl-2-oxo-3-quinolyl)-phenyl-methyl]-1-methyl-quinolin-2-one	54687020	"NSC642517; CHEMBL2006094; ZINC102971739; NSC-642517; NCI60_014356; 2(1H)-Quinolinone, 3,3'-(phenylmethylene)bis[4-hydroxy-1-methyl-; 4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxo-3-quinolyl)-phenyl-methyl]-1-methyl-quinolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642517	.	.	.	.	438.5	C27H22N2O4	81.1	809	3.2	33	2	4	3	"InChI=1S/C27H22N2O4/c1-28-19-14-8-6-12-17(19)24(30)22(26(28)32)21(16-10-4-3-5-11-16)23-25(31)18-13-7-9-15-20(18)29(2)27(23)33/h3-15,21,30-31H,1-2H3"	CN1C2=CC=CC=C2C(=C(C1=O)C(C3=CC=CC=C3)C4=C(C5=CC=CC=C5N(C4=O)C)O)O	NQWMMPBLNCXRNP-UHFFFAOYSA-N
DG67834	3-[(4-Chlorophenyl)-(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)methyl]-4-hydroxy-1-phenyl-quinolin-2-one	54687023	"NSC642520; CHEMBL1984555; STK687015; AKOS005600155; ZINC100204033; MCULE-6473198537; NSC-642520; NCI60_014359; 2(1H)-Quinolinone, 3,3'-[(4-chlorophenyl)methylene]bis[4-hydroxy-1-phenyl-; 3,3'-[(4-chlorophenyl)methanediyl]bis(4-hydroxy-1-phenylquinolin-2(1H)-one); 3-[(4-chlorophenyl)-(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)methyl]-4-hydroxy-1-phenyl-quinolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642520	.	.	.	.	597.1	C37H25ClN2O4	81.1	1070	7	44	2	4	5	"InChI=1S/C37H25ClN2O4/c38-24-21-19-23(20-22-24)31(32-34(41)27-15-7-9-17-29(27)39(36(32)43)25-11-3-1-4-12-25)33-35(42)28-16-8-10-18-30(28)40(37(33)44)26-13-5-2-6-14-26/h1-22,31,41-42H"	C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C2=O)C(C4=CC=C(C=C4)Cl)C5=C(C6=CC=CC=C6N(C5=O)C7=CC=CC=C7)O)O	ZNODYWNUWQTRKQ-UHFFFAOYSA-N
DG67835	4-Hydroxy-3-[(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)-(4-nitrophenyl)methyl]-1-phenyl-quinolin-2-one	54687025	"NSC642523; CHEMBL1984128; NSC-642523; NCI60_014362; 2(1H)-Quinolinone, 3,3'-[(4-nitrophenyl)methylene]bis[4-hydroxy-1-phenyl-; 4-hydroxy-3-[(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)-(4-nitrophenyl)methyl]-1-phenyl-quinolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642523	.	.	.	.	607.6	C37H25N3O6	127	1160	6.2	46	2	6	5	"InChI=1S/C37H25N3O6/c41-34-27-15-7-9-17-29(27)38(24-11-3-1-4-12-24)36(43)32(34)31(23-19-21-26(22-20-23)40(45)46)33-35(42)28-16-8-10-18-30(28)39(37(33)44)25-13-5-2-6-14-25/h1-22,31,41-42H"	C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C2=O)C(C4=CC=C(C=C4)[N+](=O)[O-])C5=C(C6=CC=CC=C6N(C5=O)C7=CC=CC=C7)O)O	RYRMTTSYKBBOQB-UHFFFAOYSA-N
DG67836	NSC645744	54688598	"[3,4,5-Triacetoxy-6-(5-hydroxy-3,6-dimethyl-2-methylsulfanyl-4,7-dioxo-pyrido[2,3-d]pyrimidin-8-yl)tetrahydropyran-2-yl]methyl acetate; NSC645744; CHEMBL1985416; NSC-645744; NCI60_015669; [3,4,5-triacetoxy-6-(5-hydroxy-3,6-dimethyl-2-methylsulfanyl-4,7-dioxo-pyrido[2,3-d]pyrimidin-8-yl)tetrahydropyran-2-yl]methyl acetate; {Pyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione,} 5-hydroxy- 3, 6-dimethyl-2-(methylthio)-8-(2,3,4,6-tetra-O-acetyl- .beta.-D-glucopyranosyl)-; Pyrido[2,7(3H,8H)-dione, 5-hydroxy- 3,6-dimethyl-2-(methylthio)-8-(2,3,4,6-tetra-O-acetyl- .beta.-D-glucopyranosyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645744	.	.	.	.	583.6	C24H29N3O12S	213	1240	0.1	40	1	14	11	"InChI=1S/C24H29N3O12S/c1-9-16(32)15-20(25-24(40-7)26(6)22(15)34)27(21(9)33)23-19(38-13(5)31)18(37-12(4)30)17(36-11(3)29)14(39-23)8-35-10(2)28/h14,17-19,23,32H,8H2,1-7H3"	CC1=C(C2=C(N=C(N(C2=O)C)SC)N(C1=O)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O	HYDFXZKWNJBCRQ-UHFFFAOYSA-N
DG67837	"5,5'-(4-Methoxybenzylidene)bis(6-oxo-4-hydroxy-2-pyrrolizino-1,6-dihydropyridine-3-carboxylic acid ethyl) ester"	54688722	"NSC701635; CHEMBL1975403; NSC-701635; NCI60_036455; 5,5'-(4-Methoxybenzylidene)bis(6-oxo-4-hydroxy-2-pyrrolizino-1,6-dihydropyridine-3-carboxylic acid ethyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701635	.	.	.	.	622.7	C32H38N4O9	167	1250	3.2	45	4	11	12	"InChI=1S/C32H38N4O9/c1-4-44-31(41)23-25(37)21(29(39)33-27(23)35-14-6-7-15-35)20(18-10-12-19(43-3)13-11-18)22-26(38)24(32(42)45-5-2)28(34-30(22)40)36-16-8-9-17-36/h10-13,20H,4-9,14-17H2,1-3H3,(H2,33,37,39)(H2,34,38,40)"	CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC=C(C=C2)OC)C3=C(C(=C(NC3=O)N4CCCC4)C(=O)OCC)O)N5CCCC5	JMPHISJOEQNMGI-UHFFFAOYSA-N
DG67838	"5,5'-(2,6-Dichlorobenzylidene)bis(6-oxo-4-hydroxy-2-morpholino-1,6-dihydropyridine-3-carboxylic acid ethyl) ester"	54688724	"NSC701639; CHEMBL1983883; NSC-701639; NCI60_036459; 5,5'-(2,6-Dichlorobenzylidene)bis(6-oxo-4-hydroxy-2-morpholino-1,6-dihydropyridine-3-carboxylic acid ethyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701639	.	.	.	.	693.5	C31H34Cl2N4O10	176	1310	2.8	47	4	12	11	"InChI=1S/C31H34Cl2N4O10/c1-3-46-30(42)22-24(38)20(28(40)34-26(22)36-8-12-44-13-9-36)19(18-16(32)6-5-7-17(18)33)21-25(39)23(31(43)47-4-2)27(35-29(21)41)37-10-14-45-15-11-37/h5-7,19H,3-4,8-15H2,1-2H3,(H2,34,38,40)(H2,35,39,41)"	CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=C(C=CC=C2Cl)Cl)C3=C(C(=C(NC3=O)N4CCOCC4)C(=O)OCC)O)N5CCOCC5	LBDZWXLNLOAFEA-UHFFFAOYSA-N
DG67839	NSC722812	54689426	"5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile; NSC722812; CHEMBL1972442; NSC-722812"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722812	.	.	.	.	599.4	C27H24Cl2N6O6	171	1260	1.8	41	4	10	5	"InChI=1S/C27H24Cl2N6O6/c28-16-2-1-3-17(29)18(16)19(20-22(36)14(12-30)24(32-26(20)38)34-4-8-40-9-5-34)21-23(37)15(13-31)25(33-27(21)39)35-6-10-41-11-7-35/h1-3,19H,4-11H2,(H2,32,36,38)(H2,33,37,39)"	C1COCCN1C2=C(C(=C(C(=O)N2)C(C3=C(C=CC=C3Cl)Cl)C4=C(C(=C(NC4=O)N5CCOCC5)C#N)O)O)C#N	WVQGNGAQKNBFBG-UHFFFAOYSA-N
DG67840	NSC656598	54692252	"[6-[9-carbamoyl-1,8,11-trihydroxy-7-[2-(2-hydroxyphenyl)-2-oxo-ethyl]-5,10a-dimethoxy-5-methyl-10,12-dioxo-5a,6,6a,7-tetrahydrotetracen-2-yl]-4-hydroxy-2-methyl-tetrahydropyran-3-yl] (Z)-2-methylbut-2-enoate; NSC656598; [6-[9-carbamoyl-1,8,11-trihydroxy-7-[2-(2-hydroxyphenyl)-2-oxo-ethyl]-5,10a-dimethoxy-5-methyl-10,12-dioxo-5a,6,6a,7-tetrahydrotetracen-2-yl]-4-hydroxy-2-methyl-tetrahydropyran-3-yl] (Z)-2-methylbut-2-enoate; Hexitol, 1-C-[9-(aminocarbonyl)-5,5a,6,6a,7,10,10a,12-octahydro-1,8,11-trihydroxy-7-[2-(2-hydroxyphenyl)-2-oxoethyl]-5,10a-dimethoxy-5-methyl-10,12-dioxo-2-naphthacenyl]-1,5-anhydro-2,6-dideoxy-4-O-[(2Z)-2-methyl-1-oxo-2-butenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656598	.	.	.	.	775.8	C41H45NO14	249	1730	3.5	56	6	14	10	"InChI=1S/C41H45NO14/c1-7-17(2)39(52)56-35-18(3)55-28(16-27(35)45)20-12-13-22-29(32(20)46)34(48)30-24(40(22,4)53-5)15-23-21(14-26(44)19-10-8-9-11-25(19)43)33(47)31(38(42)51)37(50)41(23,54-6)36(30)49/h7-13,18,21,23-24,27-28,35,43,45-46,48,50H,14-16H2,1-6H3,(H2,42,51)/b17-7-"	C/C=C(/C)\\C(=O)OC1C(OC(CC1O)C2=C(C3=C(C=C2)C(C4CC5C(C(=O)C(=C(C5(C(=O)C4=C3O)OC)O)C(=O)N)CC(=O)C6=CC=CC=C6O)(C)OC)O)C	BRAHPGVQCXWLHP-IDUWFGFVSA-N
DG67841	"(2Z)-N-(3-chloro-1,4-dioxo-2-naphthyl)-2-hydroxyimino-6-(4-hydroxy-2-oxo-chromen-3-yl)-4-oxo-6-phenyl-hexanamide"	54692865	"NSC649567; CHEMBL1973871; NSC-649567; (2Z)-N-(3-chloro-1,4-dioxo-2-naphthyl)-2-hydroxyimino-6-(4-hydroxy-2-oxo-chromen-3-yl)-4-oxo-6-phenyl-hexanamide; N-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-(hydroxyimino)-6-(4-hydroxy-2-oxo-2H-chromen-3-yl)-4-oxo-6-phenylhexanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649567	.	.	.	.	585	C31H21ClN2O8	159	1250	4.9	42	3	9	8	"InChI=1S/C31H21ClN2O8/c32-25-26(29(38)19-11-5-4-10-18(19)28(25)37)33-30(39)22(34-41)15-17(35)14-21(16-8-2-1-3-9-16)24-27(36)20-12-6-7-13-23(20)42-31(24)40/h1-13,21,36,41H,14-15H2,(H,33,39)/b34-22-"	C1=CC=C(C=C1)C(CC(=O)C/C(=N/O)/C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C4=C(C5=CC=CC=C5OC4=O)O	OFWDBPLRILYIJW-VQNDASPWSA-N
DG67842	"N-(3-chloro-1,4-dioxo-2-naphthyl)-2-(4-hydroxy-2-oxo-chromen-3-yl)-2-oxo-acetamide"	54693275	"NSC649811; NSC-649811; CHEMBL79480; ZINC1631941; BDBM50051628; NCI60_017367; 2H-1-Benzopyran-3-acetamide,4-dioxo- 2-naphthyl)-4-hydroxy-.beta.,2-dioxo-; N-(3-chloro-1,4-dioxo-2-naphthyl)-2-(4-hydroxy-2-oxo-chromen-3-yl)-2-oxo-acetamide; N-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2-oxoacetamide; N-(3-Chloro-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2-oxo-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649811	.	.	.	.	423.8	C21H10ClNO7	127	918	3.3	30	2	7	3	"InChI=1S/C21H10ClNO7/c22-14-15(18(26)10-6-2-1-5-9(10)17(14)25)23-20(28)19(27)13-16(24)11-7-3-4-8-12(11)30-21(13)29/h1-8,24H,(H,23,28)"	C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC(=O)C(=O)C3=C(C4=CC=CC=C4OC3=O)O	DIVJMFVRDQHKSS-UHFFFAOYSA-N
DG67843	"1-[3-(Benzenesulfonamido)-1,4-dioxo-2-naphthyl]pyridin-1-ium-3-carboxamide"	54694509	"NSC685896; CHEMBL1966187; STL347560; AKOS022133400; MCULE-3105771281; NSC-685896; 1-[3-(benzenesulfonamido)-1,4-dioxo-2-naphthyl]pyridin-1-ium-3-carboxamide; [3-(3-carbamoylpyridinium-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl](phenylsulfonyl)azanide; 1-(1,4-Dioxo-3-((phenylsulfonyl)amino)-1,4-dihydro-2-naphthalenyl)-1.lambda.~5~-pyridine-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685896	.	.	.	.	433.4	C22H15N3O5S	142	899	2.7	31	1	6	4	"InChI=1S/C22H15N3O5S/c23-22(28)14-7-6-12-25(13-14)19-18(24-31(29,30)15-8-2-1-3-9-15)20(26)16-10-4-5-11-17(16)21(19)27/h1-13H,(H2-,23,24,27,28)"	C1=CC=C(C=C1)S(=O)(=O)/N=C\\2/C(=C(C3=CC=CC=C3C2=O)[O-])[N+]4=CC=CC(=C4)C(=O)N	SJQDUPTVSJZANT-UHFFFAOYSA-N
DG67844	3-[3-di(4-hydroxy-2-oxo-2H-3-chromenyl)methylphenyl(4-hydroxy-2-oxo-2H-3-chromenyl)methyl]-4-hydroxy-2H-2-chromenone	54694511	"NSC686393; CHEMBL315955; CHEMBL392451; BDBM50055691; NSC-686393; NCI60_031113; 3,3',3'',3'''-(1,3-Phenylenebismethylidyne)tetrakis(4-hydroxycoumarin); 2H-1-Benzopyran-2-one, 3,3',3'',3'''-[1,3-phenylenebis(methylidyne)]tetrakis[4-hydroxy-; 3-[[3-[bis(4-hydroxy-2-oxo-chromen-3-yl)methyl]phenyl]-(4-hydroxy-2-oxo-chromen-3-yl)methyl]-4-hydroxy-chromen-2-one; 3-[3-di(4-hydroxy-2-oxo-2H-3-chromenyl)methylphenyl(4-hydroxy-2-oxo-2H-3-chromenyl)methyl]-4-hydroxy-2H-2-chromenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686393	.	.	.	.	746.7	C44H26O12	186	1540	6.1	56	4	12	6	"InChI=1S/C44H26O12/c45-37-23-12-1-5-16-27(23)53-41(49)33(37)31(34-38(46)24-13-2-6-17-28(24)54-42(34)50)21-10-9-11-22(20-21)32(35-39(47)25-14-3-7-18-29(25)55-43(35)51)36-40(48)26-15-4-8-19-30(26)56-44(36)52/h1-20,31-32,45-48H"	C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC(=CC=C3)C(C4=C(C5=CC=CC=C5OC4=O)O)C6=C(C7=CC=CC=C7OC6=O)O)C8=C(C9=CC=CC=C9OC8=O)O)O	QZBMFHIMCCLLEZ-UHFFFAOYSA-N
DG67845	NSC722804	54695397	ethyl 2-ethoxy-5-[(6-ethoxy-5-ethoxycarbonyl-4-hydroxy-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate; NSC722804; CHEMBL1967580; NSC-722804	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722804	.	.	.	.	548.6	C25H28N2O10S	198	1060	2.4	38	4	11	13	"InChI=1S/C25H28N2O10S/c1-5-34-22-16(24(32)36-7-3)18(28)14(20(30)26-22)13(12-10-9-11-38-12)15-19(29)17(25(33)37-8-4)23(35-6-2)27-21(15)31/h9-11,13H,5-8H2,1-4H3,(H2,26,28,30)(H2,27,29,31)"	CCOC1=C(C(=C(C(=O)N1)C(C2=CC=CS2)C3=C(C(=C(NC3=O)OCC)C(=O)OCC)O)O)C(=O)OCC	QWEIRSUQMPTIKN-UHFFFAOYSA-N
DG67846	NSC722821	54695411	ethyl 2-ethoxy-5-[(6-ethoxy-5-ethoxycarbonyl-4-hydroxy-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate; NSC722821; CHEMBL1967532; NSC-722821	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722821	.	.	.	.	560.5	C27H29FN2O10	170	1100	2.8	40	4	11	13	"InChI=1S/C27H29FN2O10/c1-5-37-24-18(26(35)39-7-3)20(31)16(22(33)29-24)15(13-9-11-14(28)12-10-13)17-21(32)19(27(36)40-8-4)25(38-6-2)30-23(17)34/h9-12,15H,5-8H2,1-4H3,(H2,29,31,33)(H2,30,32,34)"	CCOC1=C(C(=C(C(=O)N1)C(C2=CC=C(C=C2)F)C3=C(C(=C(NC3=O)OCC)C(=O)OCC)O)O)C(=O)OCC	KALQWLGRPVYYBZ-UHFFFAOYSA-N
DG67847	NSC722825	54695414	"5-[(5-cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile; NSC722825; NSC-722825"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722825	.	.	.	.	567.4	C27H24Cl2N6O4	153	1220	3.5	39	4	8	5	"InChI=1S/C27H24Cl2N6O4/c28-16-6-5-7-17(29)18(16)19(20-22(36)14(12-30)24(32-26(20)38)34-8-1-2-9-34)21-23(37)15(13-31)25(33-27(21)39)35-10-3-4-11-35/h5-7,19H,1-4,8-11H2,(H2,32,36,38)(H2,33,37,39)"	C1CCN(C1)C2=C(C(=C(C(=O)N2)C(C3=C(C=CC=C3Cl)Cl)C4=C(C(=C(NC4=O)N5CCCC5)C#N)O)O)C#N	KLWKUWVYNNDWFF-UHFFFAOYSA-N
DG67848	N-(2-Cyanophenyl)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2-oxoacetamide	54695476	NSC648615; CHEMBL1997566; ZINC6513766; N-(2-Cyanophenyl)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2-oxoacetamide; NSC-648615; NCI60_016896; N-(2-cyanophenyl)-2-(4-hydroxy-2-oxo-chromen-3-yl)-2-oxo-acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648615	.	.	.	.	334.3	C18H10N2O5	117	674	3	25	2	6	3	"InChI=1S/C18H10N2O5/c19-9-10-5-1-3-7-12(10)20-17(23)16(22)14-15(21)11-6-2-4-8-13(11)25-18(14)24/h1-8,21H,(H,20,23)"	C1=CC=C(C(=C1)C#N)NC(=O)C(=O)C2=C(C3=CC=CC=C3OC2=O)O	MGJDGMITBKIAHX-UHFFFAOYSA-N
DG67849	4-[Bis(4-hydroxy-2-oxo-chromen-3-yl)methyl]benzoic acid	54695483	"NSC689410; CHEMBL82696; CHEMBL238300; SCHEMBL1649097; BDBM50055699; NSC-689410; NCI60_032189; 3,3'-(4-Carboxybenzylidene)bis[4-hydroxycoumarin]; 4-[bis(4-hydroxy-2-oxo-chromen-3-yl)methyl]benzoic acid; 4-[Bis-(4-hydroxy-2-oxo-2H-chromen-3-yl)-methyl]-benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689410	.	.	.	.	456.4	C26H16O8	130	867	3.5	34	3	8	4	"InChI=1S/C26H16O8/c27-22-15-5-1-3-7-17(15)33-25(31)20(22)19(13-9-11-14(12-10-13)24(29)30)21-23(28)16-6-2-4-8-18(16)34-26(21)32/h1-12,19,27-28H,(H,29,30)"	C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC=C(C=C3)C(=O)O)C4=C(C5=CC=CC=C5OC4=O)O)O	CSJVCXMPCBECQX-UHFFFAOYSA-N
DG67850	NSC734924	54695591	"ethyl (2E,4Z,6E)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]hepta-2,4,6-trienoate; CHEMBL378846; SCHEMBL9907015; CHEMBL3402851; NSC734924; NSC-734924"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734924	.	.	.	.	466.5	C26H26O8	123	797	4.6	34	3	8	11	"InChI=1S/C26H26O8/c1-4-34-26(31)14-9-19(20(27)10-5-17-7-12-22(29)24(15-17)32-2)21(28)11-6-18-8-13-23(30)25(16-18)33-3/h5-16,27,29-30H,4H2,1-3H3/b10-5+,11-6+,14-9+,20-19-"	CCOC(=O)/C=C/C(=C(\\C=C\\C1=CC(=C(C=C1)O)OC)/O)/C(=O)/C=C/C2=CC(=C(C=C2)O)OC	RPGJFVHVWHJQNA-XFLLJFGUSA-N
DG67851	"3,3'-(pyridin-4-ylmethanediyl)bis(4-hydroxy-6-methylpyridin-2(1H)-one)"	54697754	"3,3'-(pyridin-4-ylmethanediyl)bis(4-hydroxy-6-methylpyridin-2(1H)-one); 501103-35-1; NSC311432; CHEMBL1999509; STK788929; STK856422; ZINC04317654; ZINC17119920; AKOS002277008; AKOS005631749; MCULE-2457598664; NSC-311432; NCI60_002688; AB00681561-01; F2811-0026; 3,3'-(pyridin-4-ylmethanediyl)bis(6-methylpyridine-2,4-diol); 3,3'-(pyridin-4-ylmethylene)bis(4-hydroxy-6-methylpyridin-2(1H)-one); 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl)(4-pyridyl)methyl]-6-methyl-2(1H)-pyridinone; 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-pyridin-4-ylmethyl]-6-methyl-1H-pyridin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	311432	.	.	.	.	339.3	C18H17N3O4	112	685	0.3	25	4	5	3	"InChI=1S/C18H17N3O4/c1-9-7-12(22)15(17(24)20-9)14(11-3-5-19-6-4-11)16-13(23)8-10(2)21-18(16)25/h3-8,14H,1-2H3,(H2,20,22,24)(H2,21,23,25)"	CC1=CC(=C(C(=O)N1)C(C2=CC=NC=C2)C3=C(C=C(NC3=O)C)O)O	BAHJAYPEIUZAKO-UHFFFAOYSA-N
DG67852	NSC67588	54706004	"(4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-N-[(6-sulfanylidene-3,7-dihydropurin-8-yl)methyl]-4,4a,5,5a-tetrahydrotetracene-2-carboxamide; NSC67588; NSC-67588; 2-Naphthacenecarboxamide,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-[[6-thioxo-6H-purin-7(or 9)-yl]methyl]-, [4S-(4.alpha.,4a.alpha.,5a.alpha.,6.beta.,12a.alpha.)]-; 2-Naphthacenecarboxamide,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-N-[(6-mercaptopurin-7(or 9)-yl)methyl]-6-methyl-1,11-dioxo-; 2-Naphthacenecarboxamide,4,4a,5,5a,6,11,12a-pentahydroxy-N-[6-mercaptopurin-7(or 9)-ylmethyl]-6-methyl-1,11-dioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67588	.	.	.	.	608.6	C28H28N6O8S	253	1380	0.4	43	8	11	4	"InChI=1S/C28H28N6O8S/c1-27(41)10-5-4-6-13(35)15(10)20(36)16-11(27)7-12-19(34(2)3)21(37)17(23(39)28(12,42)22(16)38)25(40)29-8-14-32-18-24(33-14)30-9-31-26(18)43/h4-6,9,11-12,19,35-36,39,41-42H,7-8H2,1-3H3,(H,29,40)(H2,30,31,32,33,43)/t11-,12-,19-,27+,28-/m0/s1"	C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCC5=NC6=C(N5)C(=S)N=CN6)N(C)C)O	JZNXUJPGOSLWCL-QNQAYYCOSA-N
DG67853	Tirandamycin A	54706137	"Tirandamycin A; Tirandamycin; Triandamycin; (3E)-3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,2S,4R,6R,7R,8R)-1,2,7-trimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione; 34429-70-4; U 29275; NSC 107067; NSC107067; CHEBI:188071; CCG-35367; CCG-36050; 3-Pyrrolin-2-one, 4-hydroxy-3-(4-methyl-6-(1,2,7-trimethyl-5-oxo-3,9,10- trioxatricyclo(4.3.1.0(sup 2,4))dec-8-yl)-2,4-heptadienoyl)-, (E,E)-; (3E)-3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[trimethyl(oxo)[ ]yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione; 2,4-Pyrrolidinedione, 3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1S,2S,4R,6S,7R,8R)-1,2,7-trimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.02,4]dec-8-yl]-2,4-heptadienylidene]-, (3E)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	107067	.	.	.	.	417.5	C22H27NO7	115	918	2.6	30	2	7	4	"InChI=1S/C22H27NO7/c1-10(6-7-13(24)15-14(25)9-23-20(15)27)8-11(2)17-12(3)18-16(26)19-21(4,30-19)22(5,28-17)29-18/h6-8,11-12,17-19,24H,9H2,1-5H3,(H,23,27)/b7-6+,10-8+,15-13+/t11-,12-,17-,18-,19+,21+,22-/m1/s1"	C[C@H]1[C@@H]2C(=O)[C@H]3[C@](O3)([C@@](O2)(O[C@@H]1[C@H](C)/C=C(\\C)/C=C/C(=C\\4/C(=O)CNC4=O)/O)C)C	URGUBECARCAPRI-UYXUTHQNSA-N
DG67854	"7-(2-Trifluoromethylphenyl)-1,4,8,9-tetrakis(m ethoxycarbonyl)bicyclo[3.3.1]non-3-ene"	54706361	"NSC733346; NSC-733346; 7-(2-trifluoromethylphenyl)-1,4,8,9-tetrakis(m ethoxycarbonyl)bicyclo[3.3.1]non-3-ene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733346	.	.	.	.	530.4	C24H25F3O10	146	976	2.6	37	2	13	9	"InChI=1S/C24H25F3O10/c1-34-19(29)14-12-9-11(10-7-5-6-8-13(10)24(25,26)27)15(20(30)35-2)23(33,16(12)21(31)36-3)17(18(14)28)22(32)37-4/h5-8,11-12,15-17,28,33H,9H2,1-4H3/t11 ,12-,15+,16+,17 ,23+/m0/s1"	COC(=O)[C@H]1[C@H]2CC([C@@H]([C@@]1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=CC=C3C(F)(F)F	NFXSWNOQVHIYRO-KKKPJCFQSA-N
DG67855	Kijanimicin sodium salt	54707591	Kijanimicin sodium salt; From Actinomadura Kijaniata; 78798-08-0; NSC329515; NSC-329515	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329515	.	.	.	.	1317.5	C67H100N2O24	350	2900	4.8	93	7	24	14	"InChI=1S/C67H100N2O24/c1-29-15-18-45(88-52-27-65(11,69(79)80)60(38(10)87-52)68-64(78)82-14)30(2)20-40-21-39(28-70)33(5)26-67(40)62(76)53(63(77)93-67)61(75)66(12)42(29)17-16-41-54(66)31(3)19-32(4)57(41)91-51-24-46(56(74)35(7)84-51)89-50-25-47(90-48-22-43(71)55(73)34(6)83-48)59(37(9)86-50)92-49-23-44(72)58(81-13)36(8)85-49/h15-17,20-21,31-38,40-52,54-60,70-75H,18-19,22-28H2,1-14H3,(H,68,78)/b29-15-,30-20-,61-53+"	CC1CC(C(C2C1C\\3(C(C=C2)/C(=C\\CC(/C(=C\\C4C=C(C(CC45C(=O)/C(=C3\\O)/C(=O)O5)C)CO)/C)OC6CC(C(C(O6)C)NC(=O)OC)(C)[N+](=O)[O-])/C)C)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC9CC(C(C(O9)C)OC)O)OC1CC(C(C(O1)C)O)O)C	LKSBZILVASNBPF-COHDPUJKSA-N
DG67856	NSC620621	54708176	"sodium;tert-butyl N-[3-[4-(2-diethoxyphosphorylacetyl)-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-5-oxo-2H-pyrrol-2-yl]propyl]carbamate; NSC620621; NSC-620621"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620621	.	.	.	.	607.6	C27H41N2NaO10P+	150	954	.	41	2	10	17	"InChI=1S/C27H41N2O10P.Na/c1-8-37-40(34,38-9-2)17-20(30)23-24(31)19(11-10-14-28-26(33)39-27(3,4)5)29(25(23)32)16-18-12-13-21(35-6)22(15-18)36-7;/h12-13,15,19,31H,8-11,14,16-17H2,1-7H3,(H,28,33);/q;+1"	CCOP(=O)(CC(=O)C1=C(C(N(C1=O)CC2=CC(=C(C=C2)OC)OC)CCCNC(=O)OC(C)(C)C)O)OCC.[Na+]	WCVRROAMUKXGNT-UHFFFAOYSA-N
DG67857	"2(1H)-Pyridinone, 3-(4,6-dimethyl-1-oxo-2,4-octadienyl)-1,4-dihydroxy-5-(4-hydroxyphenyl)-, (E,E)-"	54708314	"Tenellin; 53823-15-7; UNII-9E0EXM5N1D; 9E0EXM5N1D; 3-[(2E,4E,6R)-4,6-dimethyl-1-oxo-2,4-octadien-1-yl]-1,4-dihydroxy-5-(4-hydroxyphenyl)-2(1H)-pyridinone; 2(1H)-Pyridinone, 3-(4,6-dimethyl-1-oxo-2,4-octadienyl)-1,4-dihydroxy-5-(4-hydroxyphenyl)-, (E,E)-; MEGxm0_000465; ACon0_000525; NSC754582; NSC-754582; Q27272418; 3-[(2E,4E,6R)-4,6-dimethylocta-2,4-dienoyl]-1,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754582	.	.	.	.	369.4	C21H23NO5	98.1	708	3.9	27	3	5	6	"InChI=1S/C21H23NO5/c1-4-13(2)11-14(3)5-10-18(24)19-20(25)17(12-22(27)21(19)26)15-6-8-16(23)9-7-15/h5-13,23,25,27H,4H2,1-3H3/b10-5+,14-11+/t13-/m1/s1"	CC[C@@H](C)/C=C(\\C)/C=C/C(=O)C1=C(C(=CN(C1=O)O)C2=CC=C(C=C2)O)O	YELFBSBOFKWHSL-UCFWAISOSA-N
DG67858	Guamecycline dihydrochloride	54710993	"Xanthomycin; Guamecycline dihydrochloride; UNII-DL609MM5I8; Xanthocycline; DL609MM5I8; 13040-98-7; Xanthomycin a, hydrochloride; Guamecycline HCl; NSC118695; EINECS 235-913-5; NSC 118695; guamecycline hydrochloride; Q27276462; 2-Naphthacenecarboxamide, N-((4-(((aminoiminomethyl)amino)iminomethyl)-1-piperazinyl)methyl)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, dihydrochloride, (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-; 2-Naphthacenecarboxamide, N-((4-(amidinoamidino)-1-piperazinyl)methyl)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118695	.	.	.	.	699.6	C29H40Cl2N8O8	262	1380	.	47	11	11	6	"InChI=1S/C29H38N8O8.2ClH/c1-28(44)13-5-4-6-16(38)17(13)21(39)18-14(28)11-15-20(35(2)3)22(40)19(24(42)29(15,45)23(18)41)25(43)33-12-36-7-9-37(10-8-36)27(32)34-26(30)31;;/h4-6,14-15,20,38-39,42,44-45H,7-12H2,1-3H3,(H,33,43)(H5,30,31,32,34);2*1H/t14-,15-,20-,28+,29-;;/m0../s1"	C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCN5CCN(CC5)C(=N)N=C(N)N)N(C)C)O.Cl.Cl	YWILDZMVBIMXID-KGHBUBBXSA-N
DG67859	Rubradirin	54711001	Rubradirin; 11031-38-2; NSC99282	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99282	.	.	.	.	998.9	C48H46N4O20	348	2380	4.9	72	6	22	9	"InChI=1S/C48H46N4O20/c1-17-11-19(3)40(39(59)42(60)48(6)16-49-30-36(56)23-12-18(2)34(54)29(33(17)53)28(23)38(58)41(30)72-48)71-46(63)32-37(57)26(69-27-15-47(5,52(64)65)43(67-8)20(4)68-27)14-24(50-32)44(61)51-31-35(55)22-10-9-21(66-7)13-25(22)70-45(31)62/h9-14,19-20,27,39-40,43,49,54-55,57,59H,15-16H2,1-8H3,(H,51,61)/b17-11+"	CC1/C=C(/C(=O)C2=C(C(=CC3=C2C(=O)C4=C(C3=O)NCC(O4)(C(=O)C(C1OC(=O)C5=C(C(=CC(=N5)C(=O)NC6=C(C7=C(C=C(C=C7)OC)OC6=O)O)OC8CC(C(C(O8)C)OC)(C)[N+](=O)[O-])O)O)C)C)O)\\C	GBZJIWQNTNUYGZ-GZTJUZNOSA-N
DG67860	3-(2-((Dimethylamino)methyl)-3-(methylhydrazono)-1-phenylbutyl)-4-hydroxy-2H-chromen-2-one	54712266	NSC647589; CHEMBL1983986; NSC-647589; 3-(2-((Dimethylamino)methyl)-3-(methylhydrazono)-1-phenylbutyl)-4-hydroxy-2H-chromen-2-one; 3-[(3E)-2-(dimethylaminomethyl)-3-(methylhydrazono)-1-phenyl-butyl]-4-hydroxy-chromen-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647589	.	.	.	.	393.5	C23H27N3O3	74.2	637	2.9	29	2	6	7	"InChI=1S/C23H27N3O3/c1-15(25-24-2)18(14-26(3)4)20(16-10-6-5-7-11-16)21-22(27)17-12-8-9-13-19(17)29-23(21)28/h5-13,18,20,24,27H,14H2,1-4H3/b25-15+"	C/C(=N\\NC)/C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O	YCBFGMOJGGMQJD-MFKUBSTISA-N
DG67861	Quinaldine blue	54712667	"Pinacyanochloride; Vernitest reagent; QUINALDINE BLUE; NSC-56808; 2768-90-3; 1,2'-carbocyanine chloride; 1,2'-quinocarbocyanine chloride; NSC56808; 1-Ethyl-2-[3-(1-ethyl-2(1H)-quinolylidene)propenyl]quinolinium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56808	.	.	.	.	388.9	C25H25ClN2	7.1	527	.	28	0	2	4	"InChI=1S/C25H25N2.ClH/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1"	CCN1/C(=C/C=C\\C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41.[Cl-]	FVMNARAKYNRZID-UHFFFAOYSA-M
DG67862	(Z)-1-(4-bromophenyl)-3-(4-chloroanilino)-2-[3-(4-chlorophenyl)pyridazin-1-ium-1-yl]-3-oxoprop-1-en-1-olate	54714473	NSC702416; CHEMBL1994291; NSC-702416	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702416	.	.	.	.	541.2	C25H16BrCl2N3O2	68.9	685	7.9	33	1	3	5	"InChI=1S/C25H16BrCl2N3O2/c26-18-7-3-17(4-8-18)24(32)23(25(33)29-21-13-11-20(28)12-14-21)31-15-1-2-22(30-31)16-5-9-19(27)10-6-16/h1-15H,(H-,29,30,32,33)"	C1=CC(=N[N+](=C1)/C(=C(/C2=CC=C(C=C2)Br)\\[O-])/C(=O)NC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl	XDULJQZOZIVQAJ-UHFFFAOYSA-N
DG67863	"2-Pyridinone, 3-chloro-4-hydroxy-1-beta-D-ribofuranosyl-"	54716343	"NSC603335; MLS002702969; 2-Pyridinone, 3-chloro-4-hydroxy-1-beta-D-ribofuranosyl-; CHEMBL59827; NSC-603335; NCI60_004592; SMR001566783; 2-Pyridinone, 3-chloro-4-hydroxy-1-.beta.-D-ribofuranosyl-; 3-chloro-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-hydroxy-pyridin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603335	.	.	.	.	277.66	C10H12ClNO6	111	423	-0.9	18	4	6	2	"InChI=1S/C10H12ClNO6/c11-6-4(14)1-2-12(9(6)17)10-8(16)7(15)5(3-13)18-10/h1-2,5,7-8,10,13-16H,3H2"	C1=CN(C(=O)C(=C1O)Cl)C2C(C(C(O2)CO)O)O	GLWRZDVTMJHWEG-UHFFFAOYSA-N
DG67864	"1,4,8,9-Tetrakis(methoxycarbonyl)-7-{4-[2(4-is obutylphenyl)propanoyloxy]phenyl}bicyclo[3.3.1]non-3-ene"	54717813	"NSC730184; NSC-730184; 1,4,8,9-tetrakis(methoxycarbonyl)-7-{4-[2(4-is obutylphenyl)propanoyloxy]phenyl}bicyclo[3.3.1]non-3-ene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730184	.	.	.	.	666.7	C36H42O12	172	1240	5.3	48	2	12	15	"InChI=1S/C36H42O12/c1-18(2)16-20-8-10-21(11-9-20)19(3)31(38)48-23-14-12-22(13-15-23)24-17-25-26(32(39)44-4)30(37)29(35(42)47-7)36(43,27(24)33(40)45-5)28(25)34(41)46-6/h8-15,18-19,24-25,27-29,37,43H,16-17H2,1-7H3/t19 ,24-,25-,27 ,28+,29+,36 /m0/s1"	CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC2=CC=C(C=C2)[C@@H]3C[C@@H]4[C@@H](C(C3C(=O)OC)([C@H](C(=C4C(=O)OC)O)C(=O)OC)O)C(=O)OC	VFMMBXICEGCFOF-FOEDEYGYSA-N
DG67865	"1,4,8,9-Tetrakis(methoxycarbonyl)-7-[4-(3-(2-f uranyl)propenoyloxy)phenyl]bicyclo[3.3.1]non-3-ene"	54717815	"NSC731862; NSC-731862; 1,4,8,9-tetrakis(methoxycarbonyl)-7-[4-(3-(2-f uranyl)propenoyloxy)phenyl]bicyclo[3.3.1]non-3-ene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731862	.	.	.	.	598.5	C30H30O13	185	1170	2.7	43	2	13	13	"InChI=1S/C30H30O13/c1-38-26(33)21-19-14-18(15-7-9-17(10-8-15)43-20(31)12-11-16-6-5-13-42-16)22(27(34)39-2)30(37,23(19)28(35)40-3)24(25(21)32)29(36)41-4/h5-13,18-19,22-24,32,37H,14H2,1-4H3/b12-11+/t18-,19-,22+,23+,24+,30+/m0/s1"	COC(=O)[C@H]1[C@@H](C[C@@H]2[C@@H]([C@]1([C@H](C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)OC(=O)/C=C/C4=CC=CO4	ZULQUGRZOVZALE-GSUJCXRSSA-N
DG67866	"1,4,8,9-Tetrakis(methoxycarbonyl)-7-[4-(2-acet amido-3-phenylpropanoyloxy)phenyl]bicyclo[3.3.1]non-3-ene"	54717817	"NSC731864; NSC-731864; 1,4,8,9-tetrakis(methoxycarbonyl)-7-[4-(2-acet amido-3-phenylpropanoyloxy)phenyl]bicyclo[3.3.1]non-3-ene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731864	.	.	.	.	667.7	C34H37NO13	201	1280	2.8	48	3	13	15	"InChI=1S/C34H37NO13/c1-17(36)35-23(15-18-9-7-6-8-10-18)29(38)48-20-13-11-19(12-14-20)21-16-22-24(30(39)44-2)28(37)27(33(42)47-5)34(43,25(21)31(40)45-3)26(22)32(41)46-4/h6-14,21-23,25-27,37,43H,15-16H2,1-5H3,(H,35,36)/t21 ,22-,23 ,25+,26+,27 ,34+/m0/s1"	CC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)C3C[C@@H]4[C@@H]([C@]([C@H]3C(=O)OC)(C(C(=C4C(=O)OC)O)C(=O)OC)O)C(=O)OC	QXXGDSVCLNMPRK-RJBMIFHISA-N
DG67867	Neooxypate	54720821	"Neooxypate; Quinolinium,5-dimethyl-1-phenylpyrrol-3-yl)vinyl]-1-methyl-, salt with 4,4'-methylenebis(3-hydroxy-2-naphthoic acid) (2:1); Quinolinium,5-dimethyl-1-phenylpyrrol-3-yl)vinyl]-1-methyl-, salt with 4,4'-methylenebis[3-hydroxy-2-naphthoic acid] (2:1); Pharmakon1600-01500521; NSC223622; NSC757296; NSC-757296; Quinolinium,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-1-methyl-, salt with 4,4'-methylenebis[3-hydroxy-2-naphthalenecarboxylic acid] (2:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757296	.	.	.	.	768.9	C49H42N3O6-	133	1120	.	58	2	7	8	"InChI=1S/C26H28N3.C23H16O6/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h6-18H,1-5H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/q+1;/p-2"	CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)[O-])[O-])C(=O)O	ZFWFZMYQXOKWIY-UHFFFAOYSA-L
DG67868	"Cyclopent[v][1,14(11H,22aH)-dione, 12,13,23,24-tetrahydro-23,25-dihydroxy-24-methoxy-3,22a-dimethyl-12-phenyl-"	54720824	"CHEMBL1993566; NSC-236657; Cyclopent[v][1,14(11H,22aH) -dione, 12,13,23,24-tetrahydro-23,25-dihydroxy- 24-methoxy-3,22a-dimethyl-12-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	236657	.	.	.	.	571.7	C34H37NO7	125	1230	6.1	42	4	7	2	"InChI=1S/C34H37NO7/c1-33-23-17-10-6-5-9-16-22-27(36)35-26(25-19-13-12-14-20-25)21-15-8-4-7-11-18-24-34(2,40)42-32(39)28(33)29(37)30(41-3)31(33)38/h4-24,26,30-31,37-38,40H,1-3H3,(H,35,36)/b8-4-,9-5+,10-6+,11-7-,21-15+,22-16+,23-17+,24-18+"	CC12/C=C/C=C/C=C/C=C/C(=O)NC(/C=C/C=C\\C=C/C=C/C(OC(=O)C1=C(C(C2O)OC)O)(C)O)C3=CC=CC=C3	HVEDUANUPUFIBT-KWCYCYFSSA-N
DG67869	Kijanimicin deriv	54724665	"KIJANIMICIN DERIV; ANTIBIOTIC 382B; NSC-363182; U-64815; Kijanimicin,6-dideoxy-.alpha.-L-ribo-hexopyranosyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	363182	.	.	.	.	1187.4	C61H90N2O21	312	2620	5	84	6	21	12	"InChI=1S/C61H90N2O21/c1-27-14-17-42(80-47-25-59(10,63(72)73)54(35(9)79-47)62-58(71)75-13)28(2)19-37-20-36(26-64)31(5)24-61(37)56(69)48(57(70)84-61)55(68)60(11)39(27)16-15-38-49(60)29(3)18-30(4)51(38)82-46-23-43(50(67)32(6)76-46)81-44-22-41(66)53(34(8)78-44)83-45-21-40(65)52(74-12)33(7)77-45/h14-16,19-20,29-35,37-47,49-54,64-68H,17-18,21-26H2,1-13H3,(H,62,71)/b27-14-,28-19-,55-48+"	CC1CC(C(C2C1C\\3(C(C=C2)/C(=C\\CC(/C(=C\\C4C=C(C(CC45C(=O)/C(=C3\\O)/C(=O)O5)C)CO)/C)OC6CC(C(C(O6)C)NC(=O)OC)(C)[N+](=O)[O-])/C)C)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC9CC(C(C(O9)C)OC)O)O)C	OQCJHHCTOPGJEH-WYHCVXCHSA-N
DG67870	"4,6a-Dihydroxy-7-(4-methoxyphenyl)-8-methyl-1,3-dioxo-2-phenylpyrrolo[3,4-d]indole-9-carbonitrile"	54746663	NSC740844; NSC-740844	.	.	Investigative Drug(s)	Investigative	Small molecular drug	740844	.	.	.	.	441.4	C25H19N3O5	114	1040	2.4	33	2	7	3	"InChI=1S/C25H19N3O5/c1-15-19(14-26)25-21(22(30)27(23(25)31)16-6-4-3-5-7-16)20(29)12-13-24(25,32)28(15)17-8-10-18(33-2)11-9-17/h3-13,29,32H,1-2H3"	CC1=C(C23C(=C(C=CC2(N1C4=CC=C(C=C4)OC)O)O)C(=O)N(C3=O)C5=CC=CC=C5)C#N	NHKXUYCRMRZTKY-UHFFFAOYSA-N
DG67871	(S)-Ceralasertib	54761305	"(S)-Ceralasertib; (S)-AZD6738; 1352226-87-9; BDBM60432; SCHEMBL9979159; CHEMBL3648328; 4-{4-[(3R)-3-Methylmorpholin-4-yl]-6-[1-((S)-S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1H-pyrrolo[2,3-b]pyridine; EX-A3909; HY-19323A; NSC780250; ZINC96174406; NSC-780250; CS-0101459; US8552004, 44"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780250	.	.	.	.	412.5	C20H24N6O2S	116	724	2.6	29	2	7	4	"InChI=1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29+/m1/s1"	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-MUWSIPGASA-N
DG67872	Ceralasertib	54761306	"AZD6738; Ceralasertib; 1352226-88-0; CHEMBL4285417; AZD-6738; imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-lambda6-sulfane; BDBM50468001; BDBM60432; AZD 6738; VJM; Ceralasertib (USAN/INN); GTPL9390; SCHEMBL9979340; EX-A1101; MFCD29472273; NSC780249; NSC800979; s7693; AKOS032960475; ZINC143911816; CCG-268794; CS-5187; NSC-780249; NSC-800979; (R)-imino(methyl)(1-(6-((R)-3-methylmorpholino)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl)cyclopropyl)-l6-sulfanone; AC-32647; HY-19323; A15794; D11787; J-690141; (2R)-N-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)sulfonyl]-2-piperidinecarboxamide; (R)-3-methyl-4-(6-(1-((R)-S-methylsulfonimidoyl)cyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl)morpholine; (R)-imino(methyl)(1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropyl)-lambda6-sulfanone; 4-{4-[(3R)-3-Methylmorpholin-4-yl]-6-[1-((R)-S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1H-pyrrolo[2,3-b]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780249	.	.	.	.	412.5	C20H24N6O2S	116	724	2.6	29	2	7	4	"InChI=1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29-/m1/s1"	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-JYCIKRDWSA-N
DG67873	"2,9-Dibenzyl-1-methyl-7-phenylmethoxypyrido[3,4-b]indol-2-ium"	54766738	CHEMBL2164716; CHEMBL2219889; SCHEMBL12070389; BDBM50395381; NSC760180; NSC-760180	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760180	.	.	.	.	469.6	C33H29N2O+	18	665	7.5	36	0	1	7	"InChI=1S/C33H29N2O/c1-25-33-31(19-20-34(25)22-26-11-5-2-6-12-26)30-18-17-29(36-24-28-15-9-4-10-16-28)21-32(30)35(33)23-27-13-7-3-8-14-27/h2-21H,22-24H2,1H3/q+1"	CC1=[N+](C=CC2=C1N(C3=C2C=CC(=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6	BRLRIFFHVZNKFH-UHFFFAOYSA-N
DG67874	"7-[(3-Fluorophenyl)methoxy]-9-[(3-fluorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-1-methylpyrido[3,4-b]indol-2-ium"	54766740	CHEMBL2219903; SCHEMBL12070386; NSC760181; NSC-760181	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760181	.	.	.	.	523.6	C33H26F3N2O+	18	778	7.8	39	0	4	7	"InChI=1S/C33H26F3N2O/c1-22-33-31(14-15-37(22)19-23-8-10-26(34)11-9-23)30-13-12-29(39-21-25-5-3-7-28(36)17-25)18-32(30)38(33)20-24-4-2-6-27(35)16-24/h2-18H,19-21H2,1H3/q+1"	CC1=[N+](C=CC2=C1N(C3=C2C=CC(=C3)OCC4=CC(=CC=C4)F)CC5=CC(=CC=C5)F)CC6=CC=C(C=C6)F	PTWVEJSQAMOHPV-UHFFFAOYSA-N
DG67875	"2-Benzyl-7-(cyclohexylmethoxy)-9-(cyclohexylmethyl)-1-methylpyrido[3,4-b]indol-2-ium"	54766893	CHEMBL2164696; CHEMBL2219849; SCHEMBL12070390; BDBM50395378; NSC760182; NSC-760182	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760182	.	.	.	.	481.7	C33H41N2O+	18	665	9	36	0	1	7	"InChI=1S/C33H41N2O/c1-25-33-31(19-20-34(25)22-26-11-5-2-6-12-26)30-18-17-29(36-24-28-15-9-4-10-16-28)21-32(30)35(33)23-27-13-7-3-8-14-27/h2,5-6,11-12,17-21,27-28H,3-4,7-10,13-16,22-24H2,1H3/q+1"	CC1=[N+](C=CC2=C1N(C3=C2C=CC(=C3)OCC4CCCCC4)CC5CCCCC5)CC6=CC=CC=C6	NWWVNIWMOOTFSC-UHFFFAOYSA-N
DG67876	"4-N-(4-methoxyphenyl)-4-N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-diamine"	54767926	SCHEMBL12143434; NSC800146; NSC-800146	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800146	.	.	.	.	340.4	C18H20N4OS	92.5	431	4.4	24	1	6	3	"InChI=1S/C18H20N4OS/c1-22(11-7-9-12(23-2)10-8-11)16-15-13-5-3-4-6-14(13)24-17(15)21-18(19)20-16/h7-10H,3-6H2,1-2H3,(H2,19,20,21)"	CN(C1=CC=C(C=C1)OC)C2=C3C4=C(CCCC4)SC3=NC(=N2)N	OCQIQTVMFXIILG-UHFFFAOYSA-N
DG67877	"1-{3-[7-(4-Fluoro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-phenyl}-3-(2,2,2-trifluoro-ethyl)-urea"	56589626	"1-{3-[7-(4-Fluoro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-phenyl}-3-(2,2,2-trifluoro-ethyl)-urea; Astex FGF inhibitor; (Fluorophenyl)-(FGFR); SCHEMBL3322953; CHEMBL3647337; BDBM139908; NSC754361; NSC-754361; US8895745, 59; 1036991-21-5; N-{3-[7-(4-Fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl}-N'-(2,2,2-trifluoroethyl)urea hydrochloride; Urea, N-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-N'-(2,2,2-trifluoroethyl)-, hydrochloride (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754361	.	.	.	.	428.4	C22H16F4N4O	58.4	611	5.3	31	2	6	4	"InChI=1S/C22H16F4N4O/c23-17-6-4-14(5-7-17)15-8-9-30-19(12-27-20(30)11-15)16-2-1-3-18(10-16)29-21(31)28-13-22(24,25)26/h1-12H,13H2,(H2,28,29,31)"	C1=CC(=CC(=C1)NC(=O)NCC(F)(F)F)C2=CN=C3N2C=CC(=C3)C4=CC=C(C=C4)F	BCAIAJFLSCRMPZ-UHFFFAOYSA-N
DG67880	2-(N-[2-(4-cyanoanilino)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide	56645961	IDH-C227; 1355324-14-9; CHEMBL3188517; SCHEMBL10185831; NSC772564; NSC-772564; NCGC00347946-01; NCGC00347946-02; HY-136686; CS-0133259; 2-(N-[2-(4-cyanoanilino)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772564	.	.	.	.	498.6	C30H31FN4O2	85.2	799	6	37	2	5	8	"InChI=1S/C30H31FN4O2/c1-21-8-5-6-13-27(21)29(30(37)34-25-10-3-2-4-11-25)35(26-12-7-9-23(31)18-26)28(36)20-33-24-16-14-22(19-32)15-17-24/h5-9,12-18,25,29,33H,2-4,10-11,20H2,1H3,(H,34,37)"	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CNC4=CC=C(C=C4)C#N	AATMNHPDEZNXEK-UHFFFAOYSA-N
DG67881	N-cyclohexyl-2-(3-fluoro-N-[2-[(3-fluoropyridin-2-yl)amino]acetyl]anilino)-2-(2-methylphenyl)acetamide	56646566	SCHEMBL10185849; NSC768539; NSC-768539; 1355324-87-6	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768539	.	.	.	.	492.6	C28H30F2N4O2	74.3	720	5.7	36	2	6	8	"InChI=1S/C28H30F2N4O2/c1-19-9-5-6-14-23(19)26(28(36)33-21-11-3-2-4-12-21)34(22-13-7-10-20(29)17-22)25(35)18-32-27-24(30)15-8-16-31-27/h5-10,13-17,21,26H,2-4,11-12,18H2,1H3,(H,31,32)(H,33,36)"	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CNC4=C(C=CC=N4)F	WKLCHSFNIRRXPK-UHFFFAOYSA-N
DG67882	"8-Cyclopentyl-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile"	56649281	"ON123300; 1357470-29-1; ON-123300; UNII-QJ8RO3296G; QJ8RO3296G; 8-cyclopentyl-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile; CHEMBL3115681; 8-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile; narazaciclib; ON 123300; SCHEMBL10050883; GTPL11879; BCP19186; EX-A1111; BDBM50447512; MFCD28411414; NSC802100; s8161; AKOS030526450; ZINC103269269; CCG-268995; CS-5570; NSC-802100; SB16989; compound 7x [PMID: 24417566]; AS-35286; HY-12624; Pyrido(2,3-d)pyrimidine-6-carbonitrile, 8-cyclopentyl-7,8-dihydro-2-((4-(4-methyl-1-piperazinyl)phenyl)amino)-7-oxo-; DB-100781; A857300; Q27287291; 8-cyclopentyl-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile;ON 123300; 8-Cyclopentyl-2-[4-(4-methyl-piperazine-1-yl)-phenylamino]-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	802100	.	.	.	.	429.5	C24H27N7O	88.4	754	3.1	32	1	7	4	"InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28)"	CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C=C(C(=O)N(C4=N3)C5CCCC5)C#N	VADOZMZXXRBXNY-UHFFFAOYSA-N
DG67883	4-chloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)-3-(trifluoromethyl)benzamide	56649573	4-chloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)-3-(trifluoromethyl)benzamide; CHEMBL1910502; NSC753188; NSC-753188	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753188	.	.	.	.	569.4	C28H17Cl2F3N4O2	80	825	6.7	39	2	7	5	"InChI=1S/C28H17Cl2F3N4O2/c29-23-7-2-18(13-22(23)28(31,32)33)27(39)35-19-3-5-20(6-4-19)37-15-21(16-9-11-34-12-10-16)26(36-37)17-1-8-24(30)25(38)14-17/h1-15,38H,(H,35,39)"	C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5	UUIFTVPJXMQLLR-UHFFFAOYSA-N
DG67884	"3,4-dichloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)benzamide"	56649574	"CHEMBL1910500; NSC753186; NSC-753186; 3,4-dichloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753186	.	.	.	.	535.8	C27H17Cl3N4O2	80	734	6.5	36	2	4	5	"InChI=1S/C27H17Cl3N4O2/c28-22-7-2-18(13-24(22)30)27(36)32-19-3-5-20(6-4-19)34-15-21(16-9-11-31-12-10-16)26(33-34)17-1-8-23(29)25(35)14-17/h1-15,35H,(H,32,36)"	C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)Cl)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5	FUIJBKHVFIBTKM-UHFFFAOYSA-N
DG67885	4-chloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)-3-(trifluoromethyl)benzamide	56649575	4-chloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)-3-(trifluoromethyl)benzamide; CHEMBL1910496; NSC753187; NSC-753187	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753187	.	.	.	.	583.4	C29H19Cl2F3N4O2	69	841	7.1	40	1	7	6	"InChI=1S/C29H19Cl2F3N4O2/c1-40-26-15-18(2-9-25(26)31)27-22(17-10-12-35-13-11-17)16-38(37-27)21-6-4-20(5-7-21)36-28(39)19-3-8-24(30)23(14-19)29(32,33)34/h2-16H,1H3,(H,36,39)"	COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)Cl)C(F)(F)F)Cl	QAYJETRMHQAPHA-UHFFFAOYSA-N
DG67886	"3,4-dichloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)benzamide"	56649611	"CHEMBL1910494; NSC753185; NSC-753185; 3,4-dichloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753185	.	.	.	.	549.8	C28H19Cl3N4O2	69	749	6.8	37	1	4	6	"InChI=1S/C28H19Cl3N4O2/c1-37-26-15-18(2-9-24(26)30)27-22(17-10-12-32-13-11-17)16-35(34-27)21-6-4-20(5-7-21)33-28(36)19-3-8-23(29)25(31)14-19/h2-16H,1H3,(H,33,36)"	COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)Cl)Cl)Cl	JTSDTZUQEGTSCM-UHFFFAOYSA-N
DG67887	(9-Ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone	56651693	SCHEMBL600283; CHEMBL4292529; NSC781590; NSC-781590	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781590	.	.	.	.	363.4	C26H21NO	22	573	6.6	28	0	1	3	"InChI=1S/C26H21NO/c1-3-27-24-11-7-6-10-21(24)23-16-18(13-15-25(23)27)26(28)22-14-12-17(2)19-8-4-5-9-20(19)22/h4-16H,3H2,1-2H3"	CCN1C2=C(C=C(C=C2)C(=O)C3=CC=C(C4=CC=CC=C43)C)C5=CC=CC=C51	JHYURZUKNMASQT-UHFFFAOYSA-N
DG67888	N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide	56673651	bpr1j-097; 1327167-19-0; BPR1J097; CHEMBL1807392; 4-(4-methylpiperazin-1-yl)-N-(3-(3-(phenylsulfonamido)phenyl)-1H-pyrazol-5-yl)benzamide.; N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide; SCHEMBL12077294; BPR1J 097; AOB1332; BCP16866; CDC16719; EX-A2351; BDBM50349001; MFCD25976606; NSC767897; ZINC72178031; AKOS026750404; AKOS032960394; NSC-767897; AS-35317; HY-13537; A925402; N-(3-(3-[(phenylsulfonyl)amino]phenyl)-1H-pyrazol-5-yl)-4-(4-methylpiperazino) benzamide; N-(3-(3-[(Phenylsulfonyl)amino]phenyl)-1H-pyrazol-5-yl)-4-(4-methylpiperazino)benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767897	.	.	.	.	516.6	C27H28N6O3S	119	845	3.5	37	3	7	7	"InChI=1S/C27H28N6O3S/c1-32-14-16-33(17-15-32)23-12-10-20(11-13-23)27(34)28-26-19-25(29-30-26)21-6-5-7-22(18-21)31-37(35,36)24-8-3-2-4-9-24/h2-13,18-19,31H,14-17H2,1H3,(H2,28,29,30,34)"	CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)C4=CC(=CC=C4)NS(=O)(=O)C5=CC=CC=C5	RRKKHABFIOHAOI-UHFFFAOYSA-N
DG67889	"2-((5-chloro-2-((4-((4-methylpiperazin-1-yl)methyl)phenyl)amino)pyrimidin-4-yl)amino)-N,N-dimethylbenzenesulfonamide"	56839178	"TP-0903; Dubermatinib; 1341200-45-0; TP0903; TP 0903; 2-((5-chloro-2-((4-((4-methylpiperazin-1-yl)methyl)phenyl)amino)pyrimidin-4-yl)amino)-N,N-dimethylbenzenesulfonamide; UNII-14D65TV20J; CHEMBL2022968; HCl-2084; compound 13; 14D65TV20J; 2-[[5-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide; Dubermatinib [USAN]; GTPL8863; SCHEMBL12813478; EX-A609; AMY10826; BCP15884; BDBM50382425; MFCD28502172; NSC798200; WHO 10925; ZINC84617535; AKOS026750306; CCG-269819; CS-4281; DB15187; NSC-798200; SB17174; NCGC00481577-01; AC-30945; AS-55868; DA-45909; HY-12963; B5940; FT-0700169; S7846; A900291; J-690134; Q27089011; 2-{[5-chloro-2-({4-[(4-methylpiperazin-1-yl)methyl]phenyl}amino)pyrimidin-4-yl]amino}-N,N-dimethylbenzene-1-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798200	.	.	.	.	516.1	C24H30ClN7O2S	102	752	3.9	35	2	9	8	"InChI=1S/C24H30ClN7O2S/c1-30(2)35(33,34)22-7-5-4-6-21(22)28-23-20(25)16-26-24(29-23)27-19-10-8-18(9-11-19)17-32-14-12-31(3)13-15-32/h4-11,16H,12-15,17H2,1-3H3,(H2,26,27,28,29)"	CN1CCN(CC1)CC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)N(C)C)Cl	YUAALFPUEOYPNX-UHFFFAOYSA-N
DG67891	Oxf BD 02	56929801	"OXF BD 02; 1429129-68-9; OXFBD02; 3-(3,5-Dimethyl-4-isoxazolyl)-5-hydroxy-alpha-phenyl-benzenemethanol; CHEMBL2335143; SCHEMBL16731354; BDBM50273649; NSC772561; AKOS025142030; NSC-772561; NCGC00387213-01; BP-25369; 3-(3,5-Dimethylisoxazol-4-yl)-5-(hydroxy(phenyl)methyl)phenol; 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy(phenyl)methyl]phenol; 3-(3,5-Dimethyl-4-isoxazolyl)-5-hydroxy- -phenylbenzenemethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772561	.	.	.	.	295.3	C18H17NO3	66.5	358	3.3	22	2	4	3	"InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3"	CC1=C(C(=NO1)C)C2=CC(=CC(=C2)O)C(C3=CC=CC=C3)O	FEQUIPXIENTMJN-UHFFFAOYSA-N
DG67892	N-[2-Oxo-3-[(1H-pyrrole-2-yl)methylene]indoline-5-yl]-N'-hydroxyoctanediamide	56932477	SCHEMBL24642; SCHEMBL29924; CHEMBL3621294; NSC774912; NSC-774912; N-[2-Oxo-3-[(1H-pyrrole-2-yl)methylene]indoline-5-yl]-N'-hydroxyoctanediamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774912	.	.	.	.	396.4	C21H24N4O4	123	636	1.4	29	5	4	9	"InChI=1S/C21H24N4O4/c26-19(7-3-1-2-4-8-20(27)25-29)23-15-9-10-18-16(13-15)17(21(28)24-18)12-14-6-5-11-22-14/h5-6,9-13,22,29H,1-4,7-8H2,(H,23,26)(H,24,28)(H,25,27)/b17-12-"	C1=CNC(=C1)/C=C\\2/C3=C(C=CC(=C3)NC(=O)CCCCCCC(=O)NO)NC2=O	BYONQPGKUFXDPQ-ATVHPVEESA-N
DG67893	"N-[2-Oxo-3-[(3,5-dimethyl-1H-pyrrole-2-yl)methylene]indoline-5-yl]-N'-hydroxyoctanediamide"	56932478	"SCHEMBL21719; CHEMBL3621295; NSC774913; NSC-774913; N-[2-Oxo-3-[(3,5-dimethyl-1H-pyrrole-2-yl)methylene]indoline-5-yl]-N'-hydroxyoctanediamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774913	.	.	.	.	424.5	C23H28N4O4	123	695	2.2	31	5	4	9	"InChI=1S/C23H28N4O4/c1-14-11-15(2)24-20(14)13-18-17-12-16(9-10-19(17)26-23(18)30)25-21(28)7-5-3-4-6-8-22(29)27-31/h9-13,24,31H,3-8H2,1-2H3,(H,25,28)(H,26,30)(H,27,29)/b18-13-"	CC1=CC(=C(N1)/C=C\\2/C3=C(C=CC(=C3)NC(=O)CCCCCCC(=O)NO)NC2=O)C	YMQGJWXACDXDFY-AQTBWJFISA-N
DG67894	"N-[3-(Methylthio)propyl]-2-oxo-3-[(3,5-dimethyl-1H-pyrrole-2-yl)methylene]indoline-5-carboxamide"	56932525	"CHEMBL3621299; SCHEMBL12474001; NSC774914; NSC-774914; N-[3-(Methylthio)propyl]-2-oxo-3-[(3,5-dimethyl-1H-pyrrole-2-yl)methylene]indoline-5-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774914	.	.	.	.	369.5	C20H23N3O2S	99.3	565	2.8	26	3	3	6	"InChI=1S/C20H23N3O2S/c1-12-9-13(2)22-18(12)11-16-15-10-14(5-6-17(15)23-20(16)25)19(24)21-7-4-8-26-3/h5-6,9-11,22H,4,7-8H2,1-3H3,(H,21,24)(H,23,25)/b16-11-"	CC1=CC(=C(N1)/C=C\\2/C3=C(C=CC(=C3)C(=O)NCCCSC)NC2=O)C	ABLAJTWOWSSMFU-WJDWOHSUSA-N
DG67895	"3,5-dichloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)benzamide"	56935209	"CHEMBL1910495; NSC753189; NSC-753189; 3,5-dichloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753189	.	.	.	.	549.8	C28H19Cl3N4O2	69	739	6.8	37	1	4	6	"InChI=1S/C28H19Cl3N4O2/c1-37-26-14-18(2-7-25(26)31)27-24(17-8-10-32-11-9-17)16-35(34-27)23-5-3-22(4-6-23)33-28(36)19-12-20(29)15-21(30)13-19/h2-16H,1H3,(H,33,36)"	COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)C5=CC(=CC(=C5)Cl)Cl)Cl	INMVLMGVGSFTNT-UHFFFAOYSA-N
DG67896	"3,5-dichloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)benzamide"	56935331	"CHEMBL1910501; NSC753190; NSC-753190; 3,5-dichloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753190	.	.	.	.	535.8	C27H17Cl3N4O2	80	724	6.5	36	2	4	5	"InChI=1S/C27H17Cl3N4O2/c28-19-11-18(12-20(29)14-19)27(36)32-21-2-4-22(5-3-21)34-15-23(16-7-9-31-10-8-16)26(33-34)17-1-6-24(30)25(35)13-17/h1-15,35H,(H,32,36)"	C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)Cl)Cl)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5	LGBCAFYBTJLRNT-UHFFFAOYSA-N
DG67897	"N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)-3,5-bis(trifluoromethyl)benzamide"	56935458	"CHEMBL1910503; NSC753184; NSC-753184; N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)-3,5-bis(trifluoromethyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753184	.	.	.	.	602.9	C29H17ClF6N4O2	80	890	7	42	2	10	5	"InChI=1S/C29H17ClF6N4O2/c30-24-6-1-17(13-25(24)41)26-23(16-7-9-37-10-8-16)15-40(39-26)22-4-2-21(3-5-22)38-27(42)18-11-19(28(31,32)33)14-20(12-18)29(34,35)36/h1-15,41H,(H,38,42)"	C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5	JQFVQKILHHEDQD-UHFFFAOYSA-N
DG67898	Brilanestrant	56941241	"Brilanestrant; GDC-0810; 1365888-06-7; ARN-810; GDC 0810; (E)-3-(4-((E)-2-(2-Chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-en-1-yl)phenyl)acrylic acid; GDC0810; UNII-9MM2R1A06R; 9MM2R1A06R; CHEMBL3581693; Brilanestrant [USAN]; Brilanestrant; ARN-810; Brilanestrant (USAN/INN); SCHEMBL766995; BCP24812; EX-A2378; BDBM50090462; NSC787326; RG6046; s7855; ZINC114545220; CCG-269201; CS-4588; DB12253; NSC-787326; RG 6046; RG-6046; GDC-0810; Brilanestrant; ARN-810; AS-74849; Brilanestrant (GDC-0810, ARN-810); HY-12864; A15958; D11264; A911587; Q27272746; (2E)-3-{4-[(1E)-2-(2-CHLORO-4-FLUOROPHENYL)-1-(1H-INDAZOL-5-YL)BUT-1-EN-1-YL]PHENYL}PROP-2-ENOIC ACID; (E)-3-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787326	.	.	.	.	446.9	C26H20ClFN2O2	66	719	7.4	32	2	4	6	"InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+"	CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl	BURHGPHDEVGCEZ-KJGLQBJMSA-N
DG67899	"7,8-Dichloro-1',9-dimethyl-1-oxospiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile"	56946086	NSC745321; NSC-745321; KH-CARB10; CHEMBL1945556	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745321	.	.	.	.	377.3	C18H18Cl2N4O	61.1	611	2.7	25	1	3	0	"InChI=1S/C18H18Cl2N4O/c1-23-7-5-18(6-8-23)11(9-21)13-10-3-4-12(19)14(20)15(10)24(2)16(13)17(25)22-18/h3-4,11H,5-8H2,1-2H3,(H,22,25)"	CN1CCC2(CC1)C(C3=C(C(=O)N2)N(C4=C3C=CC(=C4Cl)Cl)C)C#N	XGUIMGJMQKZRGM-UHFFFAOYSA-N
DG67900	NSC782122	56947516	"4-(2-[(5-Fluoro-6-Methoxypyridin-3-Yl)amino]-5-{(1r)-1-[4-(Methylsulfonyl)piperazin-1-Yl]ethyl}pyridin-3-Yl)-6-Methyl-1,3,5-Triazin-2-Amine; AMG 511; AMG-511; 1253573-53-3; CHEMBL2170081; 4-(2-[(5-Fluoro-6-Methoxypyridin-3-Yl)amino]-5-{(1r)-1-[4-(Methylsulfonyl)piperazin-1-Yl]ethyl}pyridin-3-Yl)-6-Methyl-1,3,5-Triazin-2-Amine; (R)-4-[2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]pyridin-3-yl]-6-methyl-1,3,5-triazin-2-amine; AMG511; SCHEMBL116429; AMG 511; AMG511; BCP28993; EX-A1575; BDBM50396808; NSC782122; NSC-782122; NCGC00387802-01; HY-13440; CS-0006892; US8772480, 148; Q27451683; (R)-4-(2-((5-Fluoro-6-methoxypyridin-3-yl)amino)-5-(1-(4-(methylsulfonyl)piperazin-1-yl)ethyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine; 14K; 4-[2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]pyridin-3-yl]-6-methyl-1,3,5-triazin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782122	.	.	.	.	517.6	C22H28FN9O3S	161	813	1.1	36	2	13	7	"InChI=1S/C22H28FN9O3S/c1-13(31-5-7-32(8-6-31)36(4,33)34)15-9-17(20-27-14(2)28-22(24)30-20)19(25-11-15)29-16-10-18(23)21(35-3)26-12-16/h9-13H,5-8H2,1-4H3,(H,25,29)(H2,24,27,28,30)/t13-/m1/s1"	CC1=NC(=NC(=N1)N)C2=C(N=CC(=C2)[C@@H](C)N3CCN(CC3)S(=O)(=O)C)NC4=CC(=C(N=C4)OC)F	KUGIFHQBIIHRIZ-CYBMUJFWSA-N
DG67901	2-methyl-1-(2-methyl-3-(trifluoromethyl)benzyl)-6-morpholino-1H-benzo[d]imidazole-4-carboxylic acid	56949517	GSK2636771; 1372540-25-4; GSK-2636771; 2-methyl-1-(2-methyl-3-(trifluoromethyl)benzyl)-6-morpholino-1H-benzo[d]imidazole-4-carboxylic acid; UNII-DW94IAT0LS; GSK 2636771; DW94IAT0LS; 2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazole-4-carboxylic acid; 2-Methyl-1-((2-methyl-3-(trifluoromethyl)phenyl)methyl)-6-(4-morpholinyl)-1H-benzimidazole-4-carboxylic acid; 2-methyl-1-(2-methyl-3-(trifluoromethyl)benzyl)-6-morpholino-1H-benzo(d)imidazole-4-carboxylic acid; 2-methyl-1-{[2-methyl-3-(trifluoromethyl)phenyl]methyl}-6-(4-morpholinyl)-1H-benzimidazole-4-carboxylic acid; MLS006011177; GTPL7967; SCHEMBL1280998; CHEMBL3188551; DTXSID10160124; EX-A434; QCR-187; HMS3653H17; HMS3673E13; HMS3749O03; AMY24240; AOB87319; BCP05688; 2447AH; BDBM50059637; MFCD22417098; NSC768508; NSC781258; NSC800110; s8002; ZINC77024226; AKOS026750339; BCP9000741; CCG-269050; CS-0747; DB11795; NSC-768508; NSC-781258; NSC-800110; SB16472; NCGC00345796-01; NCGC00345796-10; 2-Methyl-1-((2-methyl-3-(trifluoromethyl)phenyl)methyl)-6-morpholino-benzimidazole-4-carboxylic acid; AS-17013; DA-33589; HY-15245; SMR004702946; FT-0700179; SW219650-1; J-690147; Q27077889	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768508	.	.	.	.	433.4	C22H22F3N3O3	67.6	643	4	31	1	8	4	"InChI=1S/C22H22F3N3O3/c1-13-15(4-3-5-18(13)22(23,24)25)12-28-14(2)26-20-17(21(29)30)10-16(11-19(20)28)27-6-8-31-9-7-27/h3-5,10-11H,6-9,12H2,1-2H3,(H,29,30)"	CC1=C(C=CC=C1C(F)(F)F)CN2C(=NC3=C(C=C(C=C32)N4CCOCC4)C(=O)O)C	XTKLTGBKIDQGQL-UHFFFAOYSA-N
DG67902	NSC771531	56952026	"[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone; CHEMBL3353229; NSC771531; NSC-771531; R-7112"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771531	.	.	.	.	713.8	C37H46Cl2N4O4S	90.9	1250	6.9	48	0	6	9	"InChI=1S/C37H46Cl2N4O4S/c1-8-47-32-25-28(35(2,3)4)13-18-31(32)33-40-36(5,26-9-14-29(38)15-10-26)37(6,27-11-16-30(39)17-12-27)43(33)34(44)42-21-19-41(20-22-42)23-24-48(7,45)46/h9-18,25H,8,19-24H2,1-7H3/t36-,37+/m0/s1"	CCOC1=C(C=CC(=C1)C(C)(C)C)C2=N[C@@]([C@@](N2C(=O)N3CCN(CC3)CCS(=O)(=O)C)(C)C4=CC=C(C=C4)Cl)(C)C5=CC=C(C=C5)Cl	CMIJXZWOIKQHLL-PQQNNWGCSA-N
DG67903	"6-Methoxy-2-phenyl-1-thiophen-3-ylimidazo[2,1-b][1,3]benzothiazole"	56955856	NSC755308; NSC-755308	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755308	.	.	.	.	362.5	C20H14N2OS2	83	473	6.3	25	0	4	3	"InChI=1S/C20H14N2OS2/c1-23-15-7-8-16-17(11-15)25-20-21-18(13-5-3-2-4-6-13)19(22(16)20)14-9-10-24-12-14/h2-12H,1H3"	COC1=CC2=C(C=C1)N3C(=C(N=C3S2)C4=CC=CC=C4)C5=CSC=C5	WFSJKKQGQLXAJG-UHFFFAOYSA-N
DG67904	Ensartinib	56960363	"ensartinib; 1370651-20-9; Ensartinib (X-396); UNII-SMA5ZS5B22; SMA5ZS5B22; C26H27Cl2FN6O3; X396; 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide; Ensartinib [INN]; Ensartinib (USAN); Ensartinib; X-396; X-396(Ensartinib); Ensartinib [USAN:INN]; CHEMBL4113131; SCHEMBL15131489; BDBM179297; BCP26265; EX-A2941; NSC793150; s8230; ZINC199407645; CCG-270051; DB14860; NSC-793150; HY-103714; CS-0039831; C13627; D11346; US9126947, 18; Q27896019; 3-Pyridazinecarboxamide, 6-amino-5-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-N-(4-(((3R,5S)-3,5-dimethyl-1-piperazinyl)carbonyl)phenyl); 6-Amino-5-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)- N-(4-((3R,5S)-3,5-dimethylpiperazine- 1-carbonyl)phenyl)pyridazine-3-carboxamide; 6-amino-5-((R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-N-(4-((3R,5S)-3,5-dimethylpiperazine-1-carbonyl)phenyl)pyridazine-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	793150	.	.	.	.	561.4	C26H27Cl2FN6O3	123	812	3.6	38	3	8	6	"InChI=1S/C26H27Cl2FN6O3/c1-13-11-35(12-14(2)31-13)26(37)16-4-6-17(7-5-16)32-25(36)20-10-21(24(30)34-33-20)38-15(3)22-18(27)8-9-19(29)23(22)28/h4-10,13-15,31H,11-12H2,1-3H3,(H2,30,34)(H,32,36)/t13-,14+,15-/m1/s1"	C[C@@H]1CN(C[C@@H](N1)C)C(=O)C2=CC=C(C=C2)NC(=O)C3=NN=C(C(=C3)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl)N	GLYMPHUVMRFTFV-QLFBSQMISA-N
DG67905	"N-(3-((2,5-dimethylbenzyl)oxy)-4-(N-methylmethylsulfonamido)phenyl)-2,3-dihydro-1H-indene-5-carboxamide"	56967399	"NSC-751382; CHEMBL1935538; CSUOH-0901; SCHEMBL15942813; BDBM50097558; NSC751382; N-(3-((2,5-dimethylbenzyl)oxy)-4-(N-methylmethylsulfonamido)phenyl)-2,3-dihydro-1H-indene-5-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751382	.	.	.	.	482.5	C25H26N2O6S	103	802	3.9	34	1	7	7	"InChI=1S/C25H26N2O6S/c1-16-5-6-17(2)19(11-16)14-31-23-13-20(8-9-21(23)27(3)34(4,29)30)26-25(28)18-7-10-22-24(12-18)33-15-32-22/h5-13H,14-15H2,1-4H3,(H,26,28)"	CC1=CC(=C(C=C1)C)COC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N(C)S(=O)(=O)C	NNVDIXHOVATNMH-UHFFFAOYSA-N
DG67906	"(S)-1-(4-(2-(6-Amino-8-((6-bromobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-9-yl)ethyl)piperidin-1-yl)-2-hydroxypropan-1-one"	57336747	"MPC-3100; 958025-66-6; UNII-9UMA2EEO9Q; 9UMA2EEO9Q; (S)-1-(4-(2-(6-Amino-8-((6-bromobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-9-yl)ethyl)piperidin-1-yl)-2-hydroxypropan-1-one; CHEMBL2170470; (2S)-1-[4-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one; (S)-1-(4-(2-(6-amino-8-((6-bromobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-9-yl)ethyl)piperidin-1-yl)-2-hydroxypropan-1-one.; MPC 3100; C22H25BrN6O4S; SCHEMBL3120563; DTXSID30241969; BCP06949; EX-A5282; BDBM50485825; NSC765395; ZINC68250108; AKOS027270075; NSC-765395; 1-Propanone, 1-(4-(2-(6-amino-8-((6-bromo-1,3-benzodioxol-5-yl)thio)-9H-purin-9-yl)ethyl)-1-piperidinyl)-2-hydroxy-, (2S)-; HY-13301; CS-0003188; Y0353; J-522730; Q27273246"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765395	.	.	.	.	549.4	C22H25BrN6O4S	154	719	2.9	34	2	9	6	"InChI=1S/C22H25BrN6O4S/c1-12(30)21(31)28-5-2-13(3-6-28)4-7-29-20-18(19(24)25-10-26-20)27-22(29)34-17-9-16-15(8-14(17)23)32-11-33-16/h8-10,12-13,30H,2-7,11H2,1H3,(H2,24,25,26)/t12-/m0/s1"	C[C@@H](C(=O)N1CCC(CC1)CCN2C3=NC=NC(=C3N=C2SC4=C(C=C5C(=C4)OCO5)Br)N)O	CVBWTNHDKVVFMI-LBPRGKRZSA-N
DG67907	Gdc-0084	57384863	"GDC-0084; 1382979-44-3; paxalisib; GDC0084; 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-amine; UNII-P5DKZ70636; CHEMBL3813842; P5DKZ70636; GDC 0084; G02441729; 2-Pyrimidinamine, 5-[8,9-dihydro-6,6-dimethyl-4-(4-morpholinyl)-6H-[1,4]oxazino[4,3-e]purin-2-yl]-; 5-(6,6-Dimethyl-4-morpholino-8,9-dihydro-6H-[1,4]oxazino[4,3-e]purin-2-yl)pyrimidin-2-amine; 5-[8,9-dihydro-6,6-dimethyl-4-(4-morpholinyl)-6H-[1,4]oxazino[4,3-e]purin-2-yl]-2-pyrimidinamine; 2-Pyrimidinamine, 5-(8,9-dihydro-6,6-dimethyl-4-(4-morpholinyl)-6H-(1,4)oxazino(4,3-E)purin-2-yl)-; Paxalisib [USAN]; Paxalisib (USAN/INN); SCHEMBL10239943; GTPL10097; BCP18386; EX-A1019; GDC-0084RG7666; BDBM50177662; MFCD30187522; NSC792987; RG7666; s8163; WHO 11102; AKOS030526470; ZINC149645112; CCG-268430; CS-5638; DB15186; NSC-792987; RG-7666; SB19742; compound 16 [PMID: 27096040]; AC-31529; BS-15481; HY-19962; D11869; A909398; G-02441729; 5-(6,6-Dimethyl-4-(4-morpholinyl)-8,9-dihydro-6H-(1,4)oxazino(4,3-e)purin-2-yl)-2-pyrimidinamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	792987	.	.	.	.	382.4	C18H22N8O2	117	552	-0.3	28	1	9	2	"InChI=1S/C18H22N8O2/c1-18(2)16-22-12-14(25-3-6-27-7-4-25)23-13(11-9-20-17(19)21-10-11)24-15(12)26(16)5-8-28-18/h9-10H,3-8H2,1-2H3,(H2,19,20,21)"	CC1(C2=NC3=C(N2CCO1)N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N)C	LGWACEZVCMBSKW-UHFFFAOYSA-N
DG67908	CPI-0610 anhydrous	57389999	"Cpi-0610; 1380087-89-7; CPI 0610; UNII-U4017GUQ06; CHEMBL4303404; U4017GUQ06; pelabresib; CPI-0610 anhydrous; Pelabresib monohydrate; (S)-2-(6-(4-chlorophenyl)-1-methyl-4H-benzo[c]isoxazolo[4,5-e]azepin-4-yl)acetamide; 2-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide; CPI0610; CPI-232; GTPL9120; SCHEMBL15926539; 2-((4S)-6-(4-Chlorophenyl)-1-methyl-4H-isoxazolo(5,4-d)(2)benzazepin-4-yl)acetamide; BCP10741; EX-A1612; BDBM50510872; NSC784856; s7853; AKOS030526467; ZINC200480149; CPI-267232; CS-5592; NSC-784856; compound 10 [PMID: 26815195]; NCGC00483135-01; AS-73876; BC177446; HY-12863; B5887; J3.554.939K; Q27076907; 2-((4S)-6-(4-chlorophenyl)-1-methyl-4H-benzo[c]isoxazolo[4,5-e]azepin-4-yl)acetamide; 2-((4S)-6-(4-chlorophenyl)-1-methyl-4H-benzo[e]isoxazolo[5,4-c]azepin-4-yl)acetamide; 4H-Isoxazolo(5,4-d)(2)benzazepine-4-acetamide, 6-(4-chlorophenyl)-1-methyl-, (4S); 2-[(7S)-9-(4-CHLOROPHENYL)-3-METHYL-5-OXA-4,8-DIAZATRICYCLO[8.4.0.0(2), ]TETRADECA-1(10),2(6),3,8,11,13-HEXAEN-7-YL]ACETAMIDE; 62G"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	784856	.	.	.	.	365.8	C20H16ClN3O2	81.5	561	3	26	1	4	3	"InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1"	CC1=NOC2=C1C3=CC=CC=C3C(=N[C@H]2CC(=O)N)C4=CC=C(C=C4)Cl	GCWIQUVXWZWCLE-INIZCTEOSA-N
DG67910	N-{4-[3-(4-Chloro-phenyl)-acryloyl]-phenyl}-2-nitrooxy-acetamide	57392326	CHEMBL1927396; NSC752178; NSC-752178; N-{4-[3-(4-Chloro-phenyl)-acryloyl]-phenyl}-2-nitrooxy-acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752178	.	.	.	.	360.7	C17H13ClN2O5	101	504	3.8	25	1	5	6	"InChI=1S/C17H13ClN2O5/c18-14-6-1-12(2-7-14)3-10-16(21)13-4-8-15(9-5-13)19-17(22)11-25-20(23)24/h1-10H,11H2,(H,19,22)/b10-3+"	C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)NC(=O)CO[N+](=O)[O-])Cl	SFSTUVDSNPSDTA-XCVCLJGOSA-N
DG67911	NSC804572	57406702	"5-(2-amino-4-oxo-3-(2-(trifluoromethyl)phenyl)-3,4-dihydroquinazolin-6-yl)-N-(2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide; GSK-F1; 1402345-92-9; 1384097-27-1; 5-(2-amino-4-oxo-3-(2-(trifluoromethyl)phenyl)-3,4-dihydroquinazolin-6-yl)-N-(2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide; PI4KA inhibitor-F1; 5-[2-amino-4-oxo-3-[2-(trifluoromethyl)phenyl]quinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide; CHEMBL3121308; 3-Pyridinesulfonamide, 5-[2-amino-3,4-dihydro-4-oxo-3-[2-(trifluoromethyl)phenyl]-6-quinazolinyl]-N-(2,4-difluorophenyl)-2-methoxy-; SCHEMBL9953714; C27H18F5N5O4S; SYN1220; AMY40907; BCP29575; BCP34465; EX-A1702; BDBM50448077; NSC804572; ZINC103264410; NSC-804572; AS-16346; 1384097-27-1 pound>>rac-GSK-F1; A886246; A900425"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804572	.	.	.	.	603.5	C27H18F5N5O4S	135	1120	4.3	42	2	12	6	"InChI=1S/C27H18F5N5O4S/c1-41-24-23(42(39,40)36-21-9-7-16(28)12-19(21)29)11-15(13-34-24)14-6-8-20-17(10-14)25(38)37(26(33)35-20)22-5-3-2-4-18(22)27(30,31)32/h2-13,36H,1H3,(H2,33,35)"	COC1=C(C=C(C=N1)C2=CC3=C(C=C2)N=C(N(C3=O)C4=CC=CC=C4C(F)(F)F)N)S(=O)(=O)NC5=C(C=C(C=C5)F)F	MSRFVAYVUUHQCN-UHFFFAOYSA-N
DG67912	NSC809100	57406853	"((4S,5R)-2-(4-(tert-Butyl)-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazol-1-yl)(4-(3-(methylsulfonyl)propyl)piperazin-1-yl)methanone; RG7112; 939981-39-2; RG-7112; RO5045337; RO-5045337; UNII-Q8MI0X869M; RG 7112; Q8MI0X869M; CHEMBL2386346; ((4S,5R)-2-(4-(tert-Butyl)-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazol-1-yl)(4-(3-(methylsulfonyl)propyl)piperazin-1-yl)methanone; [(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-(3-methylsulfonylpropyl)piperazin-1-yl]methanone; Ro 5045337; GTPL9599; Mdm2 antagonist ro5045337; SCHEMBL12704861; DTXSID60240182; BCP07937; EX-A1686; BDBM50434287; NSC809100; s7030; ZINC96270381; CCG-270414; CS-0330; DB14793; NSC-809100; SB19057; AC-32970; HY-10959; RO5045337; RG7112; RG7112 (RO5045337); R 7112; A857519; Q27287118; RG-7112;RG 7112; RO-5045337; RO 5045337; RO5045337; [(4R,5S)-4,5-Bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-4,5-dimethyl-1H-imidazol-1-yl][4-[3-(methylsulfonyl)propyl]-1-piperazinyl]methanone;R7112 RG7112 RG 7112; RG7112; RO5045337; RO 5045337; RO5045337; [(4s,5r)-2-(4-t-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-(3-methylsulfonylpropyl)piperazin-1-yl]methanone; Methanone, [(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-4,5-dimethyl-1H-imidazol-1-yl][4-[3-(methylsulfonyl)propyl]-1-piperazinyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809100	.	.	.	.	727.8	C38H48Cl2N4O4S	90.9	1260	7.3	49	0	6	10	"InChI=1S/C38H48Cl2N4O4S/c1-8-48-33-26-29(36(2,3)4)14-19-32(33)34-41-37(5,27-10-15-30(39)16-11-27)38(6,28-12-17-31(40)18-13-28)44(34)35(45)43-23-21-42(22-24-43)20-9-25-49(7,46)47/h10-19,26H,8-9,20-25H2,1-7H3/t37-,38+/m0/s1"	CCOC1=C(C=CC(=C1)C(C)(C)C)C2=N[C@@]([C@@](N2C(=O)N3CCN(CC3)CCCS(=O)(=O)C)(C)C4=CC=C(C=C4)Cl)(C)C5=CC=C(C=C5)Cl	QBGKPEROWUKSBK-QPPIDDCLSA-N
DG67914	"(Z)-2-(2-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)vinyl)-1,3,4-oxadiazole"	57519758	"KPT-251; 1388841-50-6; KPT251; (Z)-2-(2-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)vinyl)-1,3,4-oxadiazole; SCHEMBL11318201; AOB6639; KPT 251; NSC773260; ZINC200829682; NSC-773260; NCGC00351777-01; (Z)-2-{2-[3-(3,5-Bis-trifluoromethyl-phenyl)-[1,2,4]triazol-1-yl]-vinyl}-[1,3,4]oxadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773260	.	.	.	.	375.23	C14H7F6N5O	69.6	491	3.4	26	0	11	3	"InChI=1S/C14H7F6N5O/c15-13(16,17)9-3-8(4-10(5-9)14(18,19)20)12-21-6-25(24-12)2-1-11-23-22-7-26-11/h1-7H/b2-1-"	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NN(C=N2)/C=C\\C3=NN=CO3	LDFXTRYMMZGKIC-UPHRSURJSA-N
DG67915	N-[4-[(Z)-N-(diaminomethylideneamino)-C-propylcarbonimidoyl]phenyl]-5-methoxy-1H-indole-2-carboxamide	57547783	SCHEMBL13941388; N-{4-[(1e)-N-Carbamimidoylbutanehydrazonoyl]phenyl}-5-Methoxy-1h-Indole-2-Carboxamide; NSC776928; NSC-776928; PV-1162; Q27467756	.	.	Investigative Drug(s)	Investigative	Small molecular drug	776928	.	.	.	.	392.5	C21H24N6O2	131	610	2.8	29	4	4	7	"InChI=1S/C21H24N6O2/c1-3-4-18(26-27-21(22)23)13-5-7-15(8-6-13)24-20(28)19-12-14-11-16(29-2)9-10-17(14)25-19/h5-12,25H,3-4H2,1-2H3,(H,24,28)(H4,22,23,27)/b26-18-"	CCC/C(=N/N=C(N)N)/C1=CC=C(C=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)OC	IFLKHYHIUCIDRM-ITYLOYPMSA-N
DG67916	"(3S,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolane-3-carbonitrile"	57616470	TAS109; DFP-10917; SCHEMBL10005225; NSC793679; NSC-793679	.	.	Investigative Drug(s)	Investigative	Small molecular drug	793679	.	.	.	.	252.23	C10H12N4O4	132	466	-2.4	18	3	5	2	"InChI=1S/C10H12N4O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)/t5-,6+,8-,9 /m0/s1"	C1=CN(C(=O)N=C1N)C2[C@H]([C@@H]([C@H](O2)CO)O)C#N	DCYBPMFXJCWXNB-PIWGOKLLSA-N
DG67917	"6-[Difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline"	57654476	"JNJ-38877618; 943540-74-7; 6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline; JNJ38877618; 6-(difluoro(6-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)quinoline; OMO-1; OMO1; SCHEMBL2492511; GTPL10507; NSC807626; s8854; NSC-807626; SB18875; example 60 [WO2007075567A1]; JNJ-38877618(OMO-1); HY-111050; CS-0034063; 6-(difluoro(6-(pyridin-4-yl)1,2,4triazolo[4,3-b]pyridazin-3-yl)methyl)quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	807626	.	.	.	.	374.3	C20H12F2N6	68.9	543	2.7	28	0	7	3	"InChI=1S/C20H12F2N6/c21-20(22,15-3-4-16-14(12-15)2-1-9-24-16)19-26-25-18-6-5-17(27-28(18)19)13-7-10-23-11-8-13/h1-12H"	C1=CC2=C(C=CC(=C2)C(C3=NN=C4N3N=C(C=C4)C5=CC=NC=C5)(F)F)N=C1	KOAWAWHSMVKCON-UHFFFAOYSA-N
DG67918	NSC772992	57682490	"[6-[[5-Fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl phosphate; Fostamatinib disodium; R788 SODIUM; R935788 SODIUM; R935788; BDBM50400034; NSC772992; NSC-772992; NCGC00386373-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772992	.	.	.	.	578.4	C23H24FN6O9P-2	192	893	1.4	40	2	15	9	"InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29)/p-2"	CC1(C(=O)N(C2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)COP(=O)([O-])[O-])C	GKDRMWXFWHEQQT-UHFFFAOYSA-L
DG67919	XL888	57748689	"XL888; 1149705-71-4; Xl-888; CHEMBL2204502; 2-[[(2R)-butan-2-yl]amino]-4-N-[8-[5-(cyclopropanecarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]octan-3-yl]-5-methylbenzene-1,4-dicarboxamide; SCHEMBL2425587; 1,4-Benzenedicarboxamide, N1-[(3-endo)-8-[5-(cyclopropylcarbonyl)-2-pyridinyl]-8-azabicyclo[3.2.1]oct-3-yl]-2-methyl-5-[[(1R)-1-methylpropyl]amino]-; EX-A1668; ZVB70571; BDBM50486033; NSC772351; s7122; CCG-269719; NSC-772351; NCGC00386261-01; HY-13313; CS-0003194; SW219489-1; 5-(((R)-sec-butyl)amino)-N1-(8-(5-(cyclopropanecarbonyl)pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl)-2-methylterephthalamide; 5-((R)-sec-Butylamino)-N1-(8-(5-(cyclopropanecarbonyl)pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl)-2-methylterephthalamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772351	.	.	.	.	503.6	C29H37N5O3	117	849	4.7	37	3	6	9	"InChI=1S/C29H37N5O3/c1-4-17(3)32-25-14-23(16(2)11-24(25)28(30)36)29(37)33-20-12-21-8-9-22(13-20)34(21)26-10-7-19(15-31-26)27(35)18-5-6-18/h7,10-11,14-15,17-18,20-22,32H,4-6,8-9,12-13H2,1-3H3,(H2,30,36)(H,33,37)/t17-,20 ,21 ,22 /m1/s1"	CC[C@@H](C)NC1=C(C=C(C(=C1)C(=O)NC2CC3CCC(C2)N3C4=NC=C(C=C4)C(=O)C5CC5)C)C(=O)N	LHGWWAFKVCIILM-LAQKFSSHSA-N
DG67920	6-Des-fluoro TAK-960	57969857	"6-Des-fluoro TAK-960; SCHEMBL4298272; NSC761759; NSC-761759; (S)-4-(9-Cyclopentyl-5,7,7-trimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]-diazepin-2-ylamino)-3-methoxyl-N-(1-methylpiperidin-3-yl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761759	.	.	.	.	535.7	C29H41N7O3	103	866	3.6	39	2	8	6	"InChI=1S/C29H41N7O3/c1-29(2)18-36(21-10-6-7-11-21)25-23(35(4)27(29)38)16-30-28(33-25)32-22-13-12-19(15-24(22)39-5)26(37)31-20-9-8-14-34(3)17-20/h12-13,15-16,20-21H,6-11,14,17-18H2,1-5H3,(H,31,37)(H,30,32,33)/t20-/m1/s1"	CC1(CN(C2=NC(=NC=C2N(C1=O)C)NC3=C(C=C(C=C3)C(=O)N[C@@H]4CCCN(C4)C)OC)C5CCCC5)C	GUZJUGLCMPBJJC-HXUWFJFHSA-N
DG67921	"2-Pyrrolidinecarboxamide, N-[4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]phenyl]-, (2S)-"	57990770	"XL-019; 945750-13-0; SCHEMBL4379072; CHEMBL3545328; HMS3652B18; HMS3673G21; 2-Pyrrolidinecarboxamide, N-[4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]phenyl]-, (2S)-; BCP07987; BCP29586; NSC772887; XL019;XL 019; AKOS026750648; ACN-029574; NSC-772887; SB16475; NCGC00389508-02; DA-40240; FT-0773898; A900137"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772887	.	.	.	.	444.5	C25H28N6O2	91.4	614	2.8	33	3	7	6	"InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)"	C1CC(NC1)C(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCOCC5	ISOCDPQFIXDIMS-UHFFFAOYSA-N
DG67922	4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide	58172700	CHEMBL2311806; SCHEMBL12757420; BDBM50425387; NSC762948; NSC-762948	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762948	.	.	.	.	475.5	C28H25N7O	97.6	722	4.4	36	2	6	6	"InChI=1S/C28H25N7O/c1-18-11-23(14-24(12-18)35-16-20(3)31-17-35)32-27(36)21-7-6-19(2)26(13-21)34-28-30-10-8-25(33-28)22-5-4-9-29-15-22/h4-17H,1-3H3,(H,32,36)(H,30,33,34)"	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KVTMDRDZMBVWNC-UHFFFAOYSA-N
DG67923	"5-((1-Ethyl-4-piperidinyl)oxy)-9H-pyrrolo(2,3-b:5,4-c')dipyridine-6-carbonitrile"	58266779	"GDC-0425; 1200129-48-1; 4N173XZ7SX; UNII-4N173XZ7SX; RG-7602; 5-((1-Ethyl-4-piperidinyl)oxy)-9H-pyrrolo(2,3-b:5,4-c')dipyridine-6-carbonitrile; 3-(1-ethylpiperidin-4-yl)oxy-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile; SCHEMBL12666573; GDC0425; NSC791163; RG7602; DB14791; NSC-791163; SB19115; HY-19926; CS-0016930; E77319; 9H-Pyrrolo(2,3-b:5,4-c')dipyridine-6-carbonitrile, 5-((1-ethyl-4-piperidinyl)oxy)-; 1627539-18-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791163	.	.	.	.	321.4	C18H19N5O	77.8	483	2.6	24	1	5	3	"InChI=1S/C18H19N5O/c1-2-23-8-5-12(6-9-23)24-17-14(10-19)21-11-15-16(17)13-4-3-7-20-18(13)22-15/h3-4,7,11-12H,2,5-6,8-9H2,1H3,(H,20,22)"	CCN1CCC(CC1)OC2=C3C4=C(NC3=CN=C2C#N)N=CC=C4	XEZLBMHDUXSICI-UHFFFAOYSA-N
DG67924	NSC818002	58282870	"(3S)-3-methylsulfanyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-propan-2-yloxypyridin-3-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide; MK-8353; 1184173-73-6; SCH900353; MK8353; CHEMBL4213970; SCH-900353; (3S)-3-methylsulfanyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-propan-2-yloxypyridin-3-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide; (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide; GTPL9974; SCHEMBL10236331; CHEBI:167664; EX-A3191; BDBM50458803; NSC818002; s8701; ZB1630; AKOS037648529; MK 8353; NSC-818002; MK-8353;SCH900353; BS-14448; HY-111407; CS-0040548; MK-8353 (SCH900353); A16838; D80532; (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-{3-[6-(propan-2-yloxy)pyridin-3-yl]-1H-indazol-5-yl}pyrrolidine-3-carboxamide; (S)-N-(3-(6-isopropoxypyridin-3-yl)-1H-indazol-5-yl)-1-(2-(4-(4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)-3,6-dihydropyridin-1(2H)-yl)-2-oxoethyl)-3-(methylthio)pyrrolidine-3-carboxamide; (S)-N-(3-(6-isopropoxypyridin-3-yl)-1H-indazol-5-yl)-1-(2-(4-(4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)-5,6-dihydropyridin-1(2H)-yl)-2-oxoethyl)-3-(methylthio)pyrrolidine-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	818002	.	.	.	.	691.8	C37H41N9O3S	160	1220	4.3	50	2	9	10	"InChI=1S/C37H41N9O3S/c1-24(2)49-32-12-9-28(20-38-32)34-30-19-29(10-11-31(30)41-42-34)40-36(48)37(50-4)15-18-45(22-37)21-33(47)46-16-13-26(14-17-46)25-5-7-27(8-6-25)35-39-23-44(3)43-35/h5-13,19-20,23-24H,14-18,21-22H2,1-4H3,(H,40,48)(H,41,42)/t37-/m0/s1"	CC(C)OC1=NC=C(C=C1)C2=NNC3=C2C=C(C=C3)NC(=O)[C@@]4(CCN(C4)CC(=O)N5CCC(=CC5)C6=CC=C(C=C6)C7=NN(C=N7)C)SC	KPQQGHGDBBJGFA-QNGWXLTQSA-N
DG67925	Cc-223	58298316	"cc-223; 1228013-30-6; Onatasertib; CC223; UNII-I8RA3543SY; I8RA3543SY; CHEMBL3586404; ATG-008; CC 223; Onatasertib (USAN); Onatasertib [USAN]; 7-(6-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-((1r,4r)-4-methoxycyclohexyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one; 3-[6-(2-hydroxypropan-2-yl)pyridin-3-yl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one; 7-(6-(2-Hydroxypropan-2-yl)pyridin-3-yl)-1-(trans-4-methoxycyclohexyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one; 7-(6-(2-Hydroxypropan-2-yl)pyridin-3-yl)-1-(trans-4-methoxycyclohexyl)-3,4-dihydropyrazino(2,3-b)pyrazin-2(1H)-one; Pyrazino(2,3-b)pyrazin-2(1H)-one, 3,4-dihydro-7-(6-(1-hydroxy-1-methylethyl)-3-pyridinyl)-1-(trans-4-methoxycyclohexyl)-; Pyrazino[2,3-b]pyrazin-2(1H)-one, 3,4-dihydro-7-[6-(1-hydroxy-1-methylethyl)-3-pyridinyl]-1-(trans-4-methoxycyclohexyl)-; compound 37 [PMID: 26083478]; SCHEMBL138069; SCHEMBL153700; SCHEMBL800493; GTPL8914; SCHEMBL16272828; EX-A781; BCP09953; BDBM50092783; MFCD28976054; NSC792971; NSC800982; s7886; WHO 11237; AKOS030526335; ZINC113219373; ZINC114617828; CCG-268624; CS-4560; DB12570; NSC-792971; NSC-800982; SB19154; AC-31533; AS-35243; HY-16956; FT-0700128; A13078; D11663; J-690077; Q27075761; 1-((1beta,4alpha)-4-Methoxycyclohexane-1-yl)-7-(2-(1-methyl-1-hydroxyethyl)-5-pyridyl)-1,2,3,4-tetrahydropyrazino[2,3-b]pyrazine-2-one; 7-(6-(2-Hydroxypropan-2-yl)pyridin-3-yl)-1-((trans)-4-methoxycyclohexyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	792971	.	.	.	.	397.5	C21H27N5O3	101	581	1.1	29	2	7	4	"InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)"	CC(C)(C1=NC=C(C=C1)C2=CN=C3C(=N2)N(C(=O)CN3)C4CCC(CC4)OC)O	UFKLYTOEMRFKAD-UHFFFAOYSA-N
DG67926	Cc-115	58298318	"cc-115; 1228013-15-7; CC115; UNII-FII75TFH5L; CC 115; FII75TFH5L; CHEMBL3586573; 1-ethyl-7-(2-methyl-6-(1H-1,2,4-triazol-5-yl)pyridin-3-yl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one; 1-Ethyl-7-(2-methyl-6-(4H-1,2,4-triazol-3-yl)pyridin-3-yl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one; 5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)pyridin-3-yl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one; Pyrazino[2,3-b]pyrazin-2(1H)-one, 1-ethyl-3,4-dihydro-7-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-; 1-Ethyl-7-(2-methyl-6-(4H-1,2,4-triazol-3-yl)pyridin-3-yl)-3,4-dihydropyrazino(2,3-b)pyrazin-2(1H)-one; Pyrazino(2,3-b)pyrazin-2(1H)-one, 1-ethyl-3,4-dihydro-7-(2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl)-; SCHEMBL135765; SCHEMBL14877034; BCP16702; EX-A3190; BDBM50093082; MFCD29036965; NSC793151; s7891; AKOS030526334; ZINC113191351; CCG-267869; CS-4561; DB12740; NSC-793151; SB19164; AC-31527; AS-74848; HY-16962; A857120; Q27278003; 1-Ethyl-7-(2-(1H-1,2,4-triazole-3-yl)-6-methyl-5-pyridyl)-3,4-dihydropyrazino[2,3-b]pyrazine-2(1H)-one; 1-Ethyl-7-(2-methyl-6-(1H-1,2,4-triazol-3-yl)pyridin-3-yl)-3,4-dihydropyrazino(2,3-b)pyrazin-2(1H)-one; 1-Ethyl-7-(2-methyl-6-(4h-1,2,4-triazol-3-yl)pyridin-3-yl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1h)-o; 1-ethyl-7-[2-methyl-6-(1H-1,2,4-triazol-5-yl)pyridin-3-yl]-1H,2H,3H,4H-[1,4]diazino[2,3-b]pyrazin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	793151	.	.	.	.	336.35	C16H16N8O	113	491	0.7	25	2	7	3	"InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23)"	CCN1C(=O)CNC2=NC=C(N=C21)C3=C(N=C(C=C3)C4=NC=NN4)C	GMYLVKUGJMYTFB-UHFFFAOYSA-N
DG67927	NSC777879	58299817	"2-((1-(6-((9-cyclopentyl-8-fluoro-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperidin-4-yl)(methyl)amino)ethanol; AM-5992; SCHEMBL1979343; CHEMBL3702100; BDBM132448; NSC777879; NSC-777879; NCGC00475723-01; US8841312, 195; 1169694-98-7; 2-((1-(6-((9-cyclopentyl-8-fluoro-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperidin-4-yl)(methyl)amino)ethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777879	.	.	.	.	504.6	C27H33FN8O	95.2	735	3.7	37	2	9	7	"InChI=1S/C27H33FN8O/c1-34(14-15-37)18-9-12-35(13-10-18)20-6-7-23(30-16-20)32-27-31-17-22-21-8-11-29-25(28)24(21)36(26(22)33-27)19-4-2-3-5-19/h6-8,11,16-19,37H,2-5,9-10,12-15H2,1H3,(H,30,31,32,33)"	CN(CCO)C1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C5=C(C(=NC=C5)F)N(C4=N3)C6CCCC6	MNCSFNFCKABAFF-UHFFFAOYSA-N
DG67928	aza-TdCyd	58422926	aza-TdCyd; 5-aza-T-dCyd beta-anomer; SCHEMBL12305026; NSC777586; NSC-777586	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777586	.	.	.	.	244.27	C8H12N4O3S	137	359	-0.8	16	3	4	2	"InChI=1S/C8H12N4O3S/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4 ,5-,6-/m1/s1"	C1[C@@H](S[C@@H](C1O)CO)N2C=NC(=NC2=O)N	HOOZQNOZVFCJNL-YSLANXFLSA-N
DG67930	CFI-400945 free base	58486178	"CFI-400945; CFI-400945 free base; 1338806-73-7; CFI-400945 (free base); UNII-TL1UD860AA; TL1UD860AA; 1338806-76-0; (2'S,3R)-2'-[3-[(E)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethenyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one; 1616420-30-4; SCHEMBL9946383; EX-A1609; NSC791966; s7552; ZINC145048061; CCG-269938; CS-5939; NSC-791966; SB17032; CFI-400945,; AS-35185; HY-12300; A935188; (1R,2S)-2-(3-((E)-4-(((2R,6S)-2,6-dimethylmorpholino)methyl)styryl)-1H-indazol-6-yl)-5'-methoxyspiro[cyclopropane-1,3'-indolin]-2'-one; (2'S,3R)-2'-[3-[(E)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethenyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one; Spiro(cyclopropane-1,3'-(3H)indol)-2'(1'H)-one, 2-(3-((1E)-2-(4-(((2R,6S)-2,6-dimethyl-4-morpholinyl)methyl)phenyl)ethenyl)-1H-indazol-6-yl)-5'-methoxy-, (1R,2S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791966	.	.	.	.	534.6	C33H34N4O3	79.5	942	4.7	40	2	5	6	"InChI=1S/C33H34N4O3/c1-20-17-37(18-21(2)40-20)19-23-6-4-22(5-7-23)8-12-29-26-11-9-24(14-31(26)36-35-29)28-16-33(28)27-15-25(39-3)10-13-30(27)34-32(33)38/h4-15,20-21,28H,16-19H2,1-3H3,(H,34,38)(H,35,36)/b12-8+/t20-,21+,28-,33-/m0/s1"	C[C@@H]1CN(C[C@@H](O1)C)CC2=CC=C(C=C2)/C=C/C3=NNC4=C3C=CC(=C4)[C@@H]5C[C@]56C7=C(C=CC(=C7)OC)NC6=O	DADASRPKWOGKCU-FVTQAUBDSA-N
DG67931	"2-(4-hydroxypiperidin-1-yl)-4-(4-morpholinophenylamino)pyrido[4,3-d]pyrimidin-5(6H)-one"	58494192	"SCHEMBL1299178; NSC751830; NSC-751830; 2-(4-hydroxypiperidin-1-yl)-4-(4-morpholinophenylamino)pyrido[4,3-d]pyrimidin-5(6H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751830	.	.	.	.	422.5	C22H26N6O3	103	641	2.2	31	3	8	4	"InChI=1S/C22H26N6O3/c29-17-6-9-28(10-7-17)22-25-18-5-8-23-21(30)19(18)20(26-22)24-15-1-3-16(4-2-15)27-11-13-31-14-12-27/h1-5,8,17,29H,6-7,9-14H2,(H,23,30)(H,24,25,26)"	C1CN(CCC1O)C2=NC3=C(C(=O)NC=C3)C(=N2)NC4=CC=C(C=C4)N5CCOCC5	KHJMBIAHNUWJPW-UHFFFAOYSA-N
DG67932	"2-(4-hydroxypiperidin-1-yl)-4-(3-(trifluoromethyl)phenylamino)pyrido[4,3-d]pyrimidin-5(6H)-one"	58494270	"2-(4-hydroxypiperidin-1-yl)-4-(3-(trifluoromethyl)phenylamino)pyrido[4,3-d]pyrimidin-5(6H)-one; SCHEMBL1298107; CHEMBL4104732; NSC751829; NSC-751829; 2-(4-hydroxypiperidin-1-yl)-4-(3-(trifluoromethyl)phenylamino) pyrido[4,3-d]pyrimidine-5(6H)-one; 2-(4-hydroxypiperidin-1-yl)-4-(3-(trifluoromethyl)phenylamino)pyrido[4,3-d]pyrimidine-5(6H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751829	.	.	.	.	405.4	C19H18F3N5O2	90.4	624	3.3	29	3	9	3	"InChI=1S/C19H18F3N5O2/c20-19(21,22)11-2-1-3-12(10-11)24-16-15-14(4-7-23-17(15)29)25-18(26-16)27-8-5-13(28)6-9-27/h1-4,7,10,13,28H,5-6,8-9H2,(H,23,29)(H,24,25,26)"	C1CN(CCC1O)C2=NC3=C(C(=O)NC=C3)C(=N2)NC4=CC=CC(=C4)C(F)(F)F	KESYUFNFYLJZHN-UHFFFAOYSA-N
DG67933	Bimiralisib	58507717	"Bimiralisib; PQR309; 1225037-39-7; PI3K-IN-2; PQR-309; NCB5; UNII-6Z3QHB00LB; 6Z3QHB00LB; 5-(4,6-dimorpholino-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine; CHEMBL4084907; 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine; 5-[bis(morpholin-4-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine; Bimiralisib [INN]; Bimiralisib [USAN]; PQR309; Bimiralisib; Bimiralisib [WHO-DD]; Bimiralisib (PQR309); PQR-309(Bimiralisib); Bimiralisib (USAN/INN); Bimiralisib [USAN:INN]; NC-B5; GTPL8383; SCHEMBL1309049; PQR309; Bimiralisib free base; PQR 309; BCP15887; EX-A2018; BDBM50240975; MFCD28902193; NSC785117; s8738; ZINC68203488; AKOS027439949; CS-4672; DB14846; NSC-785117; AC-31532; AS-49856; HY-12868; D11440; N11425; A921931; Q27088437; 2-Pyridinamine, 5-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-; 5-(4,6-Di-4-morpholinyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinamine; A3W"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785117	.	.	.	.	411.4	C17H20F3N7O2	103	506	1.3	29	1	12	3	"InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)"	C1COCCN1C2=NC(=NC(=N2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	ADGGYDAFIHSYFI-UHFFFAOYSA-N
DG67934	NSC781515	58573469	"2-((3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-((S)-1-(isopropylsulfonyl)-3-methylbutan-2-yl)-3-methyl-2-oxopiperidin-3-yl)acetic acid; AMG-232; 1352066-68-2; AMG 232; AMG232; Navtemadlin; 2-((3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-((S)-1-(isopropylsulfonyl)-3-methylbutan-2-yl)-3-methyl-2-oxopiperidin-3-yl)acetic acid; Mdm2 inhibitor amg-232; UNII-7R7G6EH5UL; 7R7G6EH5UL; CHEMBL3125702; KRT-232; 2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(2S)-3-methyl-1-propan-2-ylsulfonylbutan-2-yl]-2-oxopiperidin-3-yl]acetic acid; C28H35Cl2NO5S; KRT232; SCHEMBL9993310; GTPL11133; AOB87308; BDBM50448947; NSC781515; NSC789723; ZINC103248035; compound 2 [PMID: 24456472]; CS-3282; DB15299; NSC-781515; NSC-789723; NCGC00387801-04; NCGC00387801-05; AC-29027; AS-17007; HY-12296; V2654; A910091; (3R,5R,6S)-5-(3-Chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-((1S)-2-methyl-1-(((1-methylethyl)sulfonyl)methyl)propyl)-2-oxo-3-piperidineacetic acid; 1447813-21-9; 3-iperidineacetic acid, 5-(3-hlorophenyl)-6-(4-hlorophenyl)-3-ethyl-1-(1S)-2-ethyl-1-[(1-ethylethyl)ulfonyl]ethyl]ropyl]-2-xo-, (3R,5R,6S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781515	.	.	.	.	568.6	C28H35Cl2NO5S	100	912	5.8	37	1	5	9	"InChI=1S/C28H35Cl2NO5S/c1-17(2)24(16-37(35,36)18(3)4)31-26(19-9-11-21(29)12-10-19)23(20-7-6-8-22(30)13-20)14-28(5,27(31)34)15-25(32)33/h6-13,17-18,23-24,26H,14-16H2,1-5H3,(H,32,33)/t23-,24-,26-,28-/m1/s1"	CC(C)[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl	DRLCSJFKKILATL-YWCVFVGNSA-N
DG67935	"Methyl 3-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]propanoate"	59016471	SCHEMBL13092343; NSC762831; NSC-762831	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762831	.	.	.	.	456.9	C22H23ClF2O4S	68.8	680	5	30	0	6	7	"InChI=1S/C22H23ClF2O4S/c1-29-21(26)9-2-15-10-12-22(13-11-15,19-14-17(24)5-8-20(19)25)30(27,28)18-6-3-16(23)4-7-18/h3-8,14-15H,2,9-13H2,1H3"	COC(=O)CCC1CCC(CC1)(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl	FZJPLMKKJUOVBZ-UHFFFAOYSA-N
DG67936	"N-[5-(6-Bromo-1H-indole-3-ylmethyl)-1,2,4-oxadiazole-3-yl]pentane-1,5-diamine"	59051601	"NSC764072; NSC-764072; N-[5-(6-Bromo-1H-indole-3-ylmethyl)-1,2,4-oxadiazole-3-yl]pentane-1,5-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764072	.	.	.	.	378.27	C16H20BrN5O	92.8	361	3.4	23	3	5	8	"InChI=1S/C16H20BrN5O/c17-12-4-5-13-11(10-20-14(13)9-12)8-15-21-16(22-23-15)19-7-3-1-2-6-18/h4-5,9-10,20H,1-3,6-8,18H2,(H,19,22)"	C1=CC2=C(C=C1Br)NC=C2CC3=NC(=NO3)NCCCCCN	MIONKZLTWUYJRT-UHFFFAOYSA-N
DG67937	Phidianidine a	59053149	"phidianidine a; 1301638-41-4; CHEMBL4280846; SCHEMBL15275630; NSC764069; ZINC148238627; NSC-764069; 1-(5-((5-((6-Bromo-1H-indol-3-yl)methyl)-1,2,4-oxadiazol-3-yl)amino)pentyl)guanidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764069	.	.	.	.	420.3	C17H22BrN7O	131	462	2.8	26	4	5	9	"InChI=1S/C17H22BrN7O/c18-12-4-5-13-11(10-23-14(13)9-12)8-15-24-17(25-26-15)22-7-3-1-2-6-21-16(19)20/h4-5,9-10,23H,1-3,6-8H2,(H,22,25)(H4,19,20,21)"	C1=CC2=C(C=C1Br)NC=C2CC3=NC(=NO3)NCCCCCN=C(N)N	SSDJERJRAHRKGJ-UHFFFAOYSA-N
DG67938	Spebrutinib	59174488	"AVL-292; 1202757-89-8; spebrutinib; cc-292; AVL292; Btk inhibitor CC-292; UNII-DRU6NG543J; N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide; Spebrutinib (AVL-292); DRU6NG543J; N-(3-((5-fluoro-2-((4-(2-methoxyethoxy)phenyl)amino)pyrimidin-4-yl)amino)phenyl)acrylamide; AVL 292; N-[3-[[5-fluoro-2-[[4-(2-methoxyethoxy)phenyl]amino]-4-pyrimidinyl]amino]phenyl]-2-propenamide; CC-292 (AVL-292); n-(3-(5-fluoro-2-(4-(2-methoxyethoxy)phenylamino)pyrimidin-4-ylamino)phenyl)acrylamide; N-{3-[(5-FLUORO-2-{[4-(2-METHOXYETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENYL}PROP-2-ENAMIDE; Spebrutinib [USAN:INN]; Spebrutinib (USAN/INN); SCHEMBL626216; GTPL7837; CHEMBL3301625; AMY9065; EX-A255; LMK-435; HMS3653E15; HMS3674E05; AOB87153; BCP07702; 2235AH; AVL-292, CC-292; BDBM50161162; CC 292; MFCD25976876; NSC780020; s7173; ZINC72319585; AKOS026670200; AKOS032949981; CCG-268921; CS-1482; DB11764; NSC-780020; SB14609; NCGC00386306-03; NCGC00386306-06; 2-Propenamide, N-(3-((5-fluoro-2-((4-(2-methoxyethoxy)phenyl)amino)-4-pyrimidinyl)amino)phenyl)-; AC-32618; AS-16998; DA-35316; HY-18012; QC-11653; FT-0751022; SW219474-1; D10730; Q27088846; N-(3-((5-fluoro-2-((4-(2-methoxyethoxyl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)acrylamide; N-(3-{5-fluoro-2-[4-(2-methoxy-ethoxy)-phenylamino]-pyrimidin-4-ylamino}-phenyl)-acrylamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780020	.	.	.	.	423.4	C22H22FN5O3	97.4	561	3.6	31	3	8	10	"InChI=1S/C22H22FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28)"	COCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)NC(=O)C=C)F	KXBDTLQSDKGAEB-UHFFFAOYSA-N
DG67939	Gdc-0349	59239165	"GDC-0349; 1207360-89-1; (S)-1-ethyl-3-(4-(4-(3-methylmorpholino)-7-(oxetan-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl)urea; UNII-579255I6O9; CHEMBL2331680; GDC0349; GDC 0349; RG-7603; 579255I6O9; 1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(oxetan-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea; MLS006011173; SCHEMBL1831520; DTXSID40152996; AOB87107; BCP06869; EX-A2248; 2427AH; BDBM50428123; NSC771532; NSC780878; NSC800987; RG7603; s8040; ZINC95587536; CCG-264711; CS-0700; DB13072; NSC-771532; NSC-780878; NSC-800987; AC-31525; HY-15248; N-Ethyl-N'-[4-[5,6,7,8-tetrahydro-4-[(3S)-3-methyl-4-morpholinyl]-7-(3-oxetanyl)pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea; SMR004702942; SW220121-1; Q27261488"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771532	.	.	.	.	452.5	C24H32N6O3	91.8	656	1.4	33	2	7	5	"InChI=1S/C24H32N6O3/c1-3-25-24(31)26-18-6-4-17(5-7-18)22-27-21-12-29(19-14-33-15-19)9-8-20(21)23(28-22)30-10-11-32-13-16(30)2/h4-7,16,19H,3,8-15H2,1-2H3,(H2,25,26,31)/t16-/m0/s1"	CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(CCN(C3)C4COC4)C(=N2)N5CCOC[C@@H]5C	RGJOJUGRHPQXGF-INIZCTEOSA-N
DG67940	NSC762418	59252140	"(R)-4-(7-Cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-ylamino)-N-(1'-(cyclopropylmethyl)-1,4'-bipiperidin-4-yl)-3-methoxybenzamide; (R)-4-(7-Cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-ylamino)-N-(1'-(cyclopropylmethyl)-1,4'-bipiperidin-4-yl)-3-methoxybenzamide; SCHEMBL3261507; NSC762418; NSC-762418"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762418	.	.	.	.	678.9	C38H50N10O2	128	1190	5.3	50	2	10	10	"InChI=1S/C38H50N10O2/c1-3-32-35-31(21-39)41-24-47(35)33-22-40-38(44-36(33)48(32)29-6-4-5-7-29)43-30-11-10-26(20-34(30)50-2)37(49)42-27-12-18-46(19-13-27)28-14-16-45(17-15-28)23-25-8-9-25/h10-11,20,22,24-25,27-29,32H,3-9,12-19,23H2,1-2H3,(H,42,49)(H,40,43,44)/t32-/m1/s1"	CC[C@@H]1C2=C(N=CN2C3=CN=C(N=C3N1C4CCCC4)NC5=C(C=C(C=C5)C(=O)NC6CCN(CC6)C7CCN(CC7)CC8CC8)OC)C#N	JYNWIXVRZLBHGY-JGCGQSQUSA-N
DG67941	"2-{2-[(2-aminoethyl)methylamino]ethyl}-6-methoxy-1,2-dihydro-3H-dibenzo[de,h]isoquinoline-1,3-dione"	59322874	"SCHEMBL2346482; NSC783604; NSC-783604; 2-{2-[(2-aminoethyl)methylamino]ethyl}-6-methoxy-1,2-dihydro-3H-dibenzo[de,h]isoquinoline-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783604	.	.	.	.	377.4	C22H23N3O3	75.9	598	2.5	28	1	5	6	"InChI=1S/C22H23N3O3/c1-24(10-9-23)11-12-25-21(26)16-7-8-18(28-2)17-13-14-5-3-4-6-15(14)20(19(16)17)22(25)27/h3-8,13H,9-12,23H2,1-2H3"	CN(CCN)CCN1C(=O)C2=CC=C(C3=CC4=CC=CC=C4C(=C23)C1=O)OC	BIODVRTUEIQALL-UHFFFAOYSA-N
DG67942	"4-(3,4,5-Trimethoxyphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-1,2,3-triazole"	59430385	"SCHEMBL412603; CHEMBL3740841; SCHEMBL17141145; NSC777407; NSC-777407; 4-(3,4,5-Trimethoxyphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-1,2,3-triazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777407	.	.	.	.	369.4	C19H19N3O5	87.7	470	2.6	27	1	7	5	"InChI=1S/C19H19N3O5/c1-23-15-9-12(10-16(24-2)19(15)25-3)18-17(20-22-21-18)11-4-5-13-14(8-11)27-7-6-26-13/h4-5,8-10H,6-7H2,1-3H3,(H,20,21,22)"	COC1=CC(=CC(=C1OC)OC)C2=NNN=C2C3=CC4=C(C=C3)OCCO4	PMKMQVFQXFSHII-UHFFFAOYSA-N
DG67944	Entospletinib	59473233	"Entospletinib; 1229208-44-9; GS-9973; 6-(1H-Indazol-6-yl)-N-(4-morpholinophenyl)imidazo[1,2-a]pyrazin-8-amine; UNII-6I3O3W6O3B; Entospletinib (GS-9973); gs9973; GS 9973; 6I3O3W6O3B; CHEMBL3265032; C23H21N7O; 6-(1H-Indazol-6-yl)-N-(4-(morpholin-4-yl)phenyl)imidazo(1,2-a)pyrazin-8-amine; 6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine; 6-(1h-Indazol-6-Yl)-N-[4-(Morpholin-4-Yl)phenyl]imidazo[1,2-A]pyrazin-8-Amine; Imidazo(1,2-a)pyrazin-8-amine, 6-(1H-indazol-6-yl)-N-(4-(4-morpholinyl)phenyl)-; Entospletinib [INN]; Entospletinib [USAN:INN]; 4puz; Imidazo[1,2-a]pyrazin-8-amine, 6-(1H-indazol-6-yl)-N-[4-(4-morpholinyl)phenyl]-; GS9973Entospletinib; GS-9973; Entospletinib; Entospletinib (USAN/INN); GTPL7889; SCHEMBL2483776; SYK INHIBITOR GS-9973; HMS3653D13; HMS3673E05; HMS3750E13; AMY14224; AOB87385; BCP09582; EX-A1120; 2440AH; BDBM50015448; MFCD28099806; NSC781516; NSC800988; s7523; ZINC98208742; AKOS027295322; CCG-264700; DB12121; NSC-781516; NSC-800988; SB16830; NCGC00378596-07; AC-30236; AS-17026; DA-36929; HY-15968; FT-0700130; SW220048-1; D11209; A890877; J-690079; Q27077193; Entospletinib;6-(1H-indazol-6-yl)-N-(4-morpholinophenyl)imidazo[1,2-a]pyrazin-8-amine; 6-Cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methyl-1-piperazinyl)-2-pyridinyl]amino}-6-oxo-1,6-dihydro-3-pyridi nyl)phenyl]-1(2H)-isoquinolinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781516	.	.	.	.	411.5	C23H21N7O	83.4	595	3.6	31	2	6	4	"InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)"	C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6	XSMSNFMDVXXHGJ-UHFFFAOYSA-N
DG67945	"Glycine, N-[2-methoxy-5-[[[(1E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl]methyl]phenyl]-, sodium salt (1:1)"	59603054	"rigosertib anion; rigosertib(1-); CHEBI:91436; CHEBI:145422; Rigosertib (ON-01910,Estybon); ON-01910 (CDK); NSC754344; NSC800868; NSC-754344; NSC-800868; NCGC00386141-01; [2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetate; [2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetate; Glycine, N-[2-methoxy-5-[[[(1E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl]methyl]phenyl]-, sodium salt (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754344	.	.	.	.	450.5	C21H24NO8S-	132	673	3.2	31	1	9	10	"InChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)/p-1/b8-7+"	COC1=C(C=C(C=C1)CS(=O)(=O)/C=C/C2=C(C=C(C=C2OC)OC)OC)NCC(=O)[O-]	OWBFCJROIKNMGD-BQYQJAHWSA-M
DG67946	NSC778366	59757974	"4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine; XL228; XL-228; 898280-07-4; UNII-33M2XSK003; 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine; 33M2XSK003; N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-((3-isopropylisoxazol-5-yl)methyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine; XL 228; Exel-2280; CHEMBL3545085; SCHEMBL11342904; AOB5553; BCP08143; EX-A1596; YKB28007; NSC778366; NSC800970; s1272; AKOS030526975; ZINC203005669; CS-1648; NSC-778366; NSC-800970; NCGC00378978-05; 2,4-Pyrimidinediamine, N(sup 4)-(5-cyclopropyl-1H-pyrazol-3-yl)-N(sup 2)-((3-(1-methylethyl)-5-isoxazolyl)methyl)-6-(4-methyl-1-piperazinyl)-; AC-30228; AS-16897; HY-15749; A857985; Q27256283; N4-(5-Cyclopropyl-1H-pyrazol-3-yl)-N2-[[3-(1-methylethyl)-5-isoxazolyl]methyl]-6-(4-methyl-1-piperazinyl)-2,4-pyrimidinediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	778366	.	.	.	.	437.5	C22H31N9O	111	598	3	32	3	9	8	"InChI=1S/C22H31N9O/c1-14(2)17-10-16(32-29-17)13-23-22-25-19(24-20-11-18(27-28-20)15-4-5-15)12-21(26-22)31-8-6-30(3)7-9-31/h10-12,14-15H,4-9,13H2,1-3H3,(H3,23,24,25,26,27,28)"	CC(C)C1=NOC(=C1)CNC2=NC(=CC(=N2)N3CCN(CC3)C)NC4=NNC(=C4)C5CC5	ALKJNCZNEOTEMP-UHFFFAOYSA-N
DG67947	"N1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxy}acetamide"	60143342	"NSC-753574; N1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxy}acetamide; CHEMBL2088730; SCHEMBL16994634; NSC753574"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753574	.	.	.	.	506.6	C27H26N2O6S	116	712	5.7	36	1	8	10	"InChI=1S/C27H26N2O6S/c1-31-20-12-11-17(9-10-18-14-22(32-2)26(34-4)23(15-18)33-3)13-21(20)35-16-25(30)29-27-28-19-7-5-6-8-24(19)36-27/h5-15H,16H2,1-4H3,(H,28,29,30)/b10-9-"	COC1=C(C=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=CC=CC=C4S3	CAMQCEMRQLZRGR-KTKRTIGZSA-N
DG67948	"Phenylboronic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, pinacol cyclic ester"	60147484	"CHEMBL3289666; SCHEMBL14714237; NSC732534; NSC-732534; Phenylboronic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, pinacol cyclic ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732534	.	.	.	.	463.4	C18H30BNO8S2	125	711	.	30	0	9	10	"InChI=1S/C18H30BNO8S2/c1-17(2)18(3,4)28-19(27-17)15-7-9-16(10-8-15)20(11-13-25-29(5,21)22)12-14-26-30(6,23)24/h7-10H,11-14H2,1-6H3"	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C	RBNUCWPUHZQCLG-UHFFFAOYSA-N
DG67949	"(3Z)-5-(dimethylamino)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one"	60147486	CHEMBL2385430; NSC747139; NSC-747139	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747139	.	.	.	.	354.4	C20H22N2O4	60	522	2.9	26	1	5	5	"InChI=1S/C20H22N2O4/c1-22(2)13-6-7-16-14(11-13)15(20(23)21-16)8-12-9-17(24-3)19(26-5)18(10-12)25-4/h6-11H,1-5H3,(H,21,23)/b15-8-"	CN(C)C1=CC\\2=C(C=C1)NC(=O)/C2=C\\C3=CC(=C(C(=C3)OC)OC)OC	IRUNVMJSHKQLGI-NVNXTCNLSA-N
DG67950	"(3Z)-1-[(4-chlorophenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one"	60147487	CHEMBL2385437; NSC747141; NSC-747141	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747141	.	.	.	.	435.9	C25H22ClNO4	48	633	5.1	31	0	4	6	"InChI=1S/C25H22ClNO4/c1-29-22-13-17(14-23(30-2)24(22)31-3)12-20-19-6-4-5-7-21(19)27(25(20)28)15-16-8-10-18(26)11-9-16/h4-14H,15H2,1-3H3/b20-12-"	COC1=CC(=CC(=C1OC)OC)/C=C\\2/C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)Cl	ULTTWEDVSRXDEM-NDENLUEZSA-N
DG67951	"(3Z)-5-methoxy-1-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one"	60147488	NSC747148; NSC-747148	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747148	.	.	.	.	355.4	C20H21NO5	57.2	522	3	26	0	5	5	"InChI=1S/C20H21NO5/c1-21-16-7-6-13(23-2)11-14(16)15(20(21)22)8-12-9-17(24-3)19(26-5)18(10-12)25-4/h6-11H,1-5H3/b15-8-"	CN1C2=C(C=C(C=C2)OC)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/C1=O	GCCAMHHZFKNLMB-NVNXTCNLSA-N
DG67952	"(3Z)-5-hydroxy-6-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one"	60147490	NSC747152; NSC-747152	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747152	.	.	.	.	341.4	C19H19NO5	77	508	2.8	25	2	5	4	"InChI=1S/C19H19NO5/c1-10-5-14-12(9-15(10)21)13(19(22)20-14)6-11-7-16(23-2)18(25-4)17(8-11)24-3/h5-9,21H,1-4H3,(H,20,22)/b13-6-"	CC1=CC2=C(C=C1O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/C(=O)N2	RUBHQVUAFKVOCO-MLPAPPSSSA-N
DG67953	"2-(4,5-dibenzoyl-1,3-dithiol-2-ylidene)-1-ethyl-6-(phenylimino)-3-thioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazin-7(6H)-one"	60147505	"NSC751393; NSC-751393; 2-(4,5-dibenzoyl-1,3-dithiol-2-ylidene)-1-ethyl-6-(phenylimino)-3-thioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazin-7(6H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751393	.	.	.	.	628.8	C31H20N2O3S5	200	1220	8.3	41	0	10	6	"InChI=1S/C31H20N2O3S5/c1-2-33-21-25(36)28(32-20-16-10-5-11-17-20)40-30(21)41-29(37)22(33)31-38-26(23(34)18-12-6-3-7-13-18)27(39-31)24(35)19-14-8-4-9-15-19/h3-17H,2H2,1H3"	CCN1C2=C(SC(=NC3=CC=CC=C3)C2=O)SC(=S)C1=C4SC(=C(S4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6	VPVWISKQRXWFHO-UHFFFAOYSA-N
DG67954	"6,7-Dimethoxy-methoxy-4-(3,4-dimethoxyphenyl)-3-hydroxymethyl-3,4-dihydro-2-naphthaldehyde"	60147549	"NSC751516; NSC-751516; 6,7-dimethoxy-methoxy-4-(3,4-dimethoxyphenyl)-3-hydroxymethyl-3,4-dihydro-2-naphthaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751516	.	.	.	.	384.4	C22H24O6	74.2	549	2.6	28	1	6	7	"InChI=1S/C22H24O6/c1-25-18-6-5-13(8-19(18)26-2)22-16-10-21(28-4)20(27-3)9-14(16)7-15(11-23)17(22)12-24/h5-11,17,22,24H,12H2,1-4H3/t17 ,22-/m0/s1"	COC1=C(C=C(C=C1)[C@@H]2C(C(=CC3=CC(=C(C=C23)OC)OC)C=O)CO)OC	RXYVJPMEMUTNAE-UGNFMNBCSA-N
DG67955	Salinomycin sodium salt hydrate	60147550	Salinomycin monosodium salt hydrate; Fluka catalog #46729; NSC751548; SALINOMYCIN SODIUM SALT HYDRATE; NSC-751548	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751548	.	.	.	.	774	C42H70NaO11+	161	1320	.	54	4	11	12	"InChI=1S/C42H70O11.Na/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33;/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47);/q;+1/t23-,24-,25+,26-,27-,28-,29+,30-,31 ,32+,33 ,34+,36 ,37 ,39-,40+,41-,42-;/m0./s1"	CC[C@H](C1CC[C@@H](C(O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)C2[C@H](C[C@H]([C@]3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)C5CC[C@@]([C@@H](O5)C)(CC)O)O)C)C)O)C)C(=O)O.[Na+]	YPZYGIQXBGHDBH-MDCHIEGPSA-N
DG67956	"Acridine, 2-methoxy-6-nitro-9-(2-phenylhydrazino)-, hydrochloride"	60147553	"NSC751600; NSC-751600; Acridine, 2-methoxy-6-nitro-9-(2-phenylhydrazino)-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751600	.	.	.	.	793.6	C40H34Cl2N8O6	184	508	.	56	6	12	8	"InChI=1S/2C20H16N4O3.2ClH/c2*1-27-15-8-10-18-17(12-15)20(23-22-13-5-3-2-4-6-13)16-9-7-14(24(25)26)11-19(16)21-18;;/h2*2-12,22H,1H3,(H,21,23);2*1H"	COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NNC4=CC=CC=C4.COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NNC4=CC=CC=C4.Cl.Cl	KHTZTHGNQAYCIY-UHFFFAOYSA-N
DG67957	"(9E)-9-benzylidene-3-methyl-2-methylsulfanyl-5-phenyl-6,7,8,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-4-one"	60147558	NSC751623; NSC-751623	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751623	.	.	.	.	427.6	C26H25N3OS	70	856	4.8	31	1	4	3	"InChI=1S/C26H25N3OS/c1-29-25(30)22-21(18-12-7-4-8-13-18)20-15-9-14-19(16-17-10-5-3-6-11-17)23(20)27-24(22)28-26(29)31-2/h3-8,10-13,16,21,27H,9,14-15H2,1-2H3/b19-16+"	CN1C(=O)C2=C(NC\\3=C(C2C4=CC=CC=C4)CCC/C3=C\\C5=CC=CC=C5)N=C1SC	AVBCXQAQRNEOFM-KNTRCKAVSA-N
DG67958	"2-((1R,2R)-2-aminocyclohexylamino)-4-(4-(methylsulfonyl)phenylamino)pyrido[4,3-d]pyrimidin-5(6H)-one"	60147618	"NSC751833; NSC-751833; 2-((1R,2R)-2-aminocyclohexylamino)-4-(4-(methylsulfonyl)phenylamino)pyrido[4,3-d]pyrimidin-5(6H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751833	.	.	.	.	428.5	C20H24N6O3S	148	746	2	30	4	8	5	"InChI=1S/C20H24N6O3S/c1-30(28,29)13-8-6-12(7-9-13)23-18-17-16(10-11-22-19(17)27)25-20(26-18)24-15-5-3-2-4-14(15)21/h6-11,14-15H,2-5,21H2,1H3,(H,22,27)(H2,23,24,25,26)/t14-,15+/m1/s1"	CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2C(=O)NC=C3)N[C@H]4CCCC[C@H]4N	DVWCWBAFIKQUNR-CABCVRRESA-N
DG67959	"2-((1R,2S)-2-aminocyclohexylamino)-4-(3,5-dimethoxyphenylamino)pyrido[4,3-d]pyrimidin-5(6H)-one"	60147620	"NSC751836; NSC-751836; 2-((1R,2S)-2-aminocyclohexylamino)-4-(3,5-dimethoxyphenylamino)pyrido[4,3-d]pyrimidin-5(6H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751836	.	.	.	.	410.5	C21H26N6O3	123	608	2.7	30	4	8	6	"InChI=1S/C21H26N6O3/c1-29-13-9-12(10-14(11-13)30-2)24-19-18-17(7-8-23-20(18)28)26-21(27-19)25-16-6-4-3-5-15(16)22/h7-11,15-16H,3-6,22H2,1-2H3,(H,23,28)(H2,24,25,26,27)/t15-,16-/m0/s1"	COC1=CC(=CC(=C1)NC2=NC(=NC3=C2C(=O)NC=C3)N[C@H]4CCCC[C@@H]4N)OC	RLUGWPXUSLZDDZ-HOTGVXAUSA-N
DG67960	"6-[{5-(Pyridine-4-yl)-1,3,4-oxidazol-2-yl} dithio]-9H-purine"	60147622	"NSC751860; NSC-751860; 6-[{5-(Pyridine-4-yl)-1,3,4-oxidazol-2-yl} dithio]-9H-purine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751860	.	.	.	.	329.4	C12H7N7OS2	157	373	1.3	22	1	9	4	"InChI=1S/C12H7N7OS2/c1-3-13-4-2-7(1)10-18-19-12(20-10)22-21-11-8-9(15-5-14-8)16-6-17-11/h1-6H,(H,14,15,16,17)"	C1=CN=CC=C1C2=NN=C(O2)SSC3=NC=NC4=C3NC=N4	YQFKBLYOUHJPQX-UHFFFAOYSA-N
DG67961	"2-fluoro-5-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-1H-5-imidazolylphenyl methyl ether"	60147633	"SCHEMBL15703332; NSC751898; NSC-751898; 2-fluoro-5-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-1H-5-imidazolylphenyl methyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751898	.	.	.	.	419.4	C23H15F2N3OS	68.2	579	5.6	30	0	6	4	"InChI=1S/C23H15F2N3OS/c1-29-21-10-15(4-8-18(21)25)20-12-26-13-28(20)17-6-2-14(3-7-17)23-27-19-9-5-16(24)11-22(19)30-23/h2-13H,1H3"	COC1=C(C=CC(=C1)C2=CN=CN2C3=CC=C(C=C3)C4=NC5=C(S4)C=C(C=C5)F)F	MUAIDSSWNDHVJO-UHFFFAOYSA-N
DG67962	"5,7-dimethoxy-2-4-[5-(3,4,5-trimethoxyphenyl)-1H-1-imidazolyl]phenyl-1,3-benzothiazole"	60147634	"SCHEMBL15703594; NSC751899; NSC-751899; 5,7-dimethoxy-2-4-[5-(3,4,5-trimethoxyphenyl)-1H-1-imidazolyl]phenyl-1,3-benzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751899	.	.	.	.	503.6	C27H25N3O5S	105	684	5.3	36	0	8	8	"InChI=1S/C27H25N3O5S/c1-31-19-12-20-26(24(13-19)34-4)36-27(29-20)16-6-8-18(9-7-16)30-15-28-14-21(30)17-10-22(32-2)25(35-5)23(11-17)33-3/h6-15H,1-5H3"	COC1=CC2=C(C(=C1)OC)SC(=N2)C3=CC=C(C=C3)N4C=NC=C4C5=CC(=C(C(=C5)OC)OC)OC	FYWRFMCIWNBVAB-UHFFFAOYSA-N
DG67963	"2-4-[5-(3,4-dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,7-dimethoxy-1,3-benzothiazole"	60147635	"SCHEMBL15703614; NSC751902; NSC-751902; 2-4-[5-(3,4-dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,7-dimethoxy-1,3-benzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751902	.	.	.	.	473.5	C26H23N3O4S	95.9	652	5.3	34	0	7	7	"InChI=1S/C26H23N3O4S/c1-30-19-12-20-25(24(13-19)33-4)34-26(28-20)16-5-8-18(9-6-16)29-15-27-14-21(29)17-7-10-22(31-2)23(11-17)32-3/h5-15H,1-4H3"	COC1=C(C=C(C=C1)C2=CN=CN2C3=CC=C(C=C3)C4=NC5=C(S4)C(=CC(=C5)OC)OC)OC	OTPBITRSCRRMJU-UHFFFAOYSA-N
DG67964	"(E)-1-(2-amino-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one"	60147636	NSC751957; NSC-751957	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751957	.	.	.	.	373.4	C20H23NO6	89.2	485	3.4	27	1	7	8	"InChI=1S/C20H23NO6/c1-23-12-8-15(21)20(19(11-12)27-5)16(22)7-6-14-17(25-3)9-13(24-2)10-18(14)26-4/h6-11H,21H2,1-5H3/b7-6+"	COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=C(C=C(C=C2OC)OC)OC)N	FRTWTJRPQYAILQ-VOTSOKGWSA-N
DG67965	NSC751958	60147637	(2E)-2-(all-trans retinylidene)-N-{[(2E)-2-(all-trans retinylidene)hydrazinyl]carbonothioyl}hydrazinecarbothioamide N3-monosodium salt heminonahydrate; NSC751958; NSC751959; NSC-751958; NSC-751959; (2E)-2-(all-trans retinylidene)-N-{[(2E)-2-(all-trans retinylidene)hydrazinyl]carbonothioyl}hydrazinecarbothioamide N3-monosodium salt heminonahydrate; (2E)-2-(all-trans retinylidene)-N-{[(2E)-2-(all-trans retinylidene)hydrazinyl]carbonothioyl}hydrazinecarbothioamide trisodium salt hemiundecahydrate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751958	.	.	.	.	739.1	C42H61N5NaOS2+	126	1450	.	51	4	5	12	"InChI=1S/C42H59N5S2.Na.H2O/c1-31(21-23-37-35(5)19-13-27-41(37,7)8)15-11-17-33(3)25-29-43-46-39(48)45-40(49)47-44-30-26-34(4)18-12-16-32(2)22-24-38-36(6)20-14-28-42(38,9)10;;/h11-12,15-18,21-26,29-30H,13-14,19-20,27-28H2,1-10H3,(H3,45,46,47,48,49);;1H2/q;+1;/b17-11+,18-12+,23-21+,24-22+,31-15+,32-16+,33-25+,34-26+,43-29+,44-30+;;"	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=N/NC(=S)NC(=S)N/N=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\\C)\\C)/C)/C.O.[Na+]	PQOAWAWAVCOSLZ-NQPWKMLKSA-N
DG67966	"3,3'-((1E,4E)-3-Oxopenta-1,4-diene-1,5-diyl)diquinolin-2(1H)-one"	60147682	"NSC-752193; CHEMBL2087711; NSC752193; 3,3'-((1E,4E)-3-Oxopenta-1,4-diene-1,5-diyl)diquinolin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752193	.	.	.	.	368.4	C23H16N2O3	75.3	726	3	28	2	3	4	"InChI=1S/C23H16N2O3/c26-19(11-9-17-13-15-5-1-3-7-20(15)24-22(17)27)12-10-18-14-16-6-2-4-8-21(16)25-23(18)28/h1-14H,(H,24,27)(H,25,28)/b11-9+,12-10+"	C1=CC=C2NC(=O)C(=CC2=C1)/C=C/C(=O)/C=C/C3=CC4=CC=CC=C4NC3=O	YLYMNHSJPWVJGC-WGDLNXRISA-N
DG67967	"4-amino-2-(1H-benzimidazol-2-ylamino)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile"	60147685	NSC752200; NSC-752200	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752200	.	.	.	.	417.4	C21H19N7O3	144	632	3.5	31	3	9	6	"InChI=1S/C21H19N7O3/c1-29-15-8-11(9-16(30-2)18(15)31-3)17-12(10-22)19(23)27-21(26-17)28-20-24-13-6-4-5-7-14(13)25-20/h4-9H,1-3H3,(H4,23,24,25,26,27,28)"	COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=N2)NC3=NC4=CC=CC=C4N3)N)C#N	JOWVCGGXWXUBMV-UHFFFAOYSA-N
DG67968	"2-benzo[b][1,4]benzothiazepin-6-yl-5-(4-methoxyanilino)-3-oxo-1H-pyrazole-4-carbonitrile"	60147696	NSC752245; NSC-752245	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752245	.	.	.	.	439.5	C24H17N5O2S	115	841	5.3	32	2	7	4	"InChI=1S/C24H17N5O2S/c1-31-16-12-10-15(11-13-16)26-22-18(14-25)24(30)29(28-22)23-17-6-2-4-8-20(17)32-21-9-5-3-7-19(21)27-23/h2-13,26,28H,1H3"	COC1=CC=C(C=C1)NC2=C(C(=O)N(N2)C3=NC4=CC=CC=C4SC5=CC=CC=C53)C#N	VBPVQWCGARUBKN-UHFFFAOYSA-N
DG67969	"2,7-Bis-[3-(2-chloro-benzylamino)-propyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate"	60147715	"NSC752270; NSC-752270; 2,7-Bis-[3-(2-chloro-benzylamino)-propyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752270	.	.	.	.	819.7	C41H40Cl2N4O8S	163	1150	.	56	4	10	13	"InChI=1S/C34H30Cl2N4O4.C7H8O3S.H2O/c35-27-9-3-1-7-21(27)19-37-15-5-17-39-31(41)23-11-13-25-30-26(14-12-24(29(23)30)32(39)42)34(44)40(33(25)43)18-6-16-38-20-22-8-2-4-10-28(22)36;1-6-2-4-7(5-3-6)11(8,9)10;/h1-4,7-14,37-38H,5-6,15-20H2;2-5H,1H3,(H,8,9,10);1H2"	CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C(=C1)CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCC6=CC=CC=C6Cl)C2=O)Cl.O	SRZOFNPQHMBPET-UHFFFAOYSA-N
DG67970	"2,7-Bis-[3-(2-fluoro-benzylamino)-propyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate"	60147717	"NSC752271; NSC-752271; 2,7-Bis-[3-(2-fluoro-benzylamino)-propyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752271	.	.	.	.	786.8	C41H40F2N4O8S	163	1150	.	56	4	12	13	"InChI=1S/C34H30F2N4O4.C7H8O3S.H2O/c35-27-9-3-1-7-21(27)19-37-15-5-17-39-31(41)23-11-13-25-30-26(14-12-24(29(23)30)32(39)42)34(44)40(33(25)43)18-6-16-38-20-22-8-2-4-10-28(22)36;1-6-2-4-7(5-3-6)11(8,9)10;/h1-4,7-14,37-38H,5-6,15-20H2;2-5H,1H3,(H,8,9,10);1H2"	CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C(=C1)CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCC6=CC=CC=C6F)C2=O)F.O	HFPJXGIKBRUERV-UHFFFAOYSA-N
DG67971	"2,7-Bis-(3-benzylamino-propyl)-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate"	60147719	"NSC752272; NSC-752272; 2,7-Bis-(3-benzylamino-propyl)-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752272	.	.	.	.	750.9	C41H42N4O8S	163	1070	.	54	4	10	13	"InChI=1S/C34H32N4O4.C7H8O3S.H2O/c39-31-25-13-15-27-30-28(34(42)38(33(27)41)20-8-18-36-22-24-11-5-2-6-12-24)16-14-26(29(25)30)32(40)37(31)19-7-17-35-21-23-9-3-1-4-10-23;1-6-2-4-7(5-3-6)11(8,9)10;/h1-6,9-16,35-36H,7-8,17-22H2;2-5H,1H3,(H,8,9,10);1H2"	CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCC6=CC=CC=C6)C2=O.O	IJBXIFBSQZLFQM-UHFFFAOYSA-N
DG67972	"2,7-Bis-[3-(2,3,4-trimethoxy-benzylamino)-propyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate"	60147721	"NSC752273; NSC-752273; 2,7-Bis-[3-(2,3,4-trimethoxy-benzylamino)-propyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752273	.	.	.	.	931	C47H54N4O14S	218	1370	.	66	4	16	19	"InChI=1S/C40H44N4O10.C7H8O3S.H2O/c1-49-29-15-9-23(33(51-3)35(29)53-5)21-41-17-7-19-43-37(45)25-11-13-27-32-28(14-12-26(31(25)32)38(43)46)40(48)44(39(27)47)20-8-18-42-22-24-10-16-30(50-2)36(54-6)34(24)52-4;1-6-2-4-7(5-3-6)11(8,9)10;/h9-16,41-42H,7-8,17-22H2,1-6H3;2-5H,1H3,(H,8,9,10);1H2"	CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C(=C(C=C1)CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCC6=C(C(=C(C=C6)OC)OC)OC)C2=O)OC)OC.O	HXAFCSVYXJOSKU-UHFFFAOYSA-N
DG67973	"2,7-Bis-[3-(2-methoxy-benzylamino)-propyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate"	60147723	"NSC752274; NSC-752274; 2,7-Bis-[3-(2-methoxy-benzylamino)-propyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752274	.	.	.	.	810.9	C43H46N4O10S	181	1180	.	58	4	12	15	"InChI=1S/C36H36N4O6.C7H8O3S.H2O/c1-45-29-11-5-3-9-23(29)21-37-17-7-19-39-33(41)25-13-15-27-32-28(16-14-26(31(25)32)34(39)42)36(44)40(35(27)43)20-8-18-38-22-24-10-4-6-12-30(24)46-2;1-6-2-4-7(5-3-6)11(8,9)10;/h3-6,9-16,37-38H,7-8,17-22H2,1-2H3;2-5H,1H3,(H,8,9,10);1H2"	CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCC6=CC=CC=C6OC)C2=O.O	DIWBOPQXNJSWFF-UHFFFAOYSA-N
DG67974	"2,7-Bis-[2-(3-methoxy-benzylamino)-ethyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate"	60147724	"NSC752275; NSC-752275; 2,7-Bis-[2-(3-methoxy-benzylamino)-ethyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752275	.	.	.	.	782.9	C41H42N4O10S	181	1150	.	56	4	12	13	"InChI=1S/C34H32N4O6.C7H8O3S.H2O/c1-43-23-7-3-5-21(17-23)19-35-13-15-37-31(39)25-9-11-27-30-28(12-10-26(29(25)30)32(37)40)34(42)38(33(27)41)16-14-36-20-22-6-4-8-24(18-22)44-2;1-6-2-4-7(5-3-6)11(8,9)10;/h3-12,17-18,35-36H,13-16,19-20H2,1-2H3;2-5H,1H3,(H,8,9,10);1H2"	CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=CC(=C1)CNCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCNCC6=CC(=CC=C6)OC)C2=O.O	PDFDWFUDSSHOSW-UHFFFAOYSA-N
DG67975	"2,7-Bis-[2-(2,3,4-trimethoxy-benzylamino)-ethyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate salt"	60147730	"NSC752278; NSC-752278; 2,7-Bis-[2-(2,3,4-trimethoxy-benzylamino)-ethyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752278	.	.	.	.	903	C45H50N4O14S	218	1340	.	64	4	16	17	"InChI=1S/C38H40N4O10.C7H8O3S.H2O/c1-47-27-13-7-21(31(49-3)33(27)51-5)19-39-15-17-41-35(43)23-9-11-25-30-26(12-10-24(29(23)30)36(41)44)38(46)42(37(25)45)18-16-40-20-22-8-14-28(48-2)34(52-6)32(22)50-4;1-6-2-4-7(5-3-6)11(8,9)10;/h7-14,39-40H,15-20H2,1-6H3;2-5H,1H3,(H,8,9,10);1H2"	CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C(=C(C=C1)CNCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCNCC6=C(C(=C(C=C6)OC)OC)OC)C2=O)OC)OC.O	IRWJVGHILOFKQO-UHFFFAOYSA-N
DG67976	(Z)-6-(2-(pyridin-2-ylmethylene)hydrazinyl)-9H-purine	60147744	NSC752329; NSC-752329; (Z)-6-(2-(pyridin-2-ylmethylene)hydrazinyl)-9H-purine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752329	.	.	.	.	239.24	C11H9N7	91.7	295	1.3	18	2	6	3	"InChI=1S/C11H9N7/c1-2-4-12-8(3-1)5-17-18-11-9-10(14-6-13-9)15-7-16-11/h1-7H,(H2,13,14,15,16,18)/b17-5-"	C1=CC=NC(=C1)/C=N\\NC2=NC=NC3=C2NC=N3	QAWUBZMNRHJLIP-ZWSORDCHSA-N
DG67977	6-(2-(propan-2-ylidene)hydrazinyl)-9H-purine-9-beta-D-riboside	60147745	NSC752330; NSC-752330; 6-(2-(propan-2-ylidene)hydrazinyl)-9H-purine-9-beta-D-riboside	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752330	.	.	.	.	322.32	C13H18N6O4	138	448	-0.2	23	4	9	4	"InChI=1S/C13H18N6O4/c1-6(2)17-18-11-8-12(15-4-14-11)19(5-16-8)13-10(22)9(21)7(3-20)23-13/h4-5,7,9-10,13,20-22H,3H2,1-2H3,(H,14,15,18)"	CC(=NNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)C	MTMFOCHXZIRPQO-UHFFFAOYSA-N
DG67978	(Z)-6-(2-(pyridin-2-ylmethylene)hydrazinyl)-9H-purine-9-beta-D-riboside	60147746	NSC752331; NSC-752331; (Z)-6-(2-(pyridin-2-ylmethylene)hydrazinyl)-9H-purine-9-beta-D-riboside	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752331	.	.	.	.	371.35	C16H17N7O4	151	527	0.5	27	4	10	5	"InChI=1S/C16H17N7O4/c24-6-10-12(25)13(26)16(27-10)23-8-20-11-14(18-7-19-15(11)23)22-21-5-9-3-1-2-4-17-9/h1-5,7-8,10,12-13,16,24-26H,6H2,(H,18,19,22)/b21-5-"	C1=CC=NC(=C1)/C=N\\NC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O	FMNUMZGKFWHCHT-SQFVCTCFSA-N
DG67979	N-[3-[6-amino-4-(2-chlorophenyl)-5-cyanopyridin-2-yl]phenyl]methanesulfonamide	60147748	CHEMBL2335994; BDBM50490758; NSC752343; NSC-752343	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752343	.	.	.	.	398.9	C19H15ClN4O2S	117	658	3.7	27	2	6	4	"InChI=1S/C19H15ClN4O2S/c1-27(25,26)24-13-6-4-5-12(9-13)18-10-15(16(11-21)19(22)23-18)14-7-2-3-8-17(14)20/h2-10,24H,1H3,(H2,22,23)"	CS(=O)(=O)NC1=CC=CC(=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3Cl)C#N)N	WFFQHAWEAKUCQQ-UHFFFAOYSA-N
DG67980	N-[3-[6-amino-5-cyano-4-(4-methoxyphenyl)pyridin-2-yl]phenyl]methanesulfonamide	60147749	CHEMBL2335999; BDBM50490756; NSC752344; NSC-752344	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752344	.	.	.	.	394.4	C20H18N4O3S	127	663	3	28	2	7	5	"InChI=1S/C20H18N4O3S/c1-27-16-8-6-13(7-9-16)17-11-19(23-20(22)18(17)12-21)14-4-3-5-15(10-14)24-28(2,25)26/h3-11,24H,1-2H3,(H2,22,23)"	COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC(=CC=C3)NS(=O)(=O)C	QOMQBMRBVJIEGL-UHFFFAOYSA-N
DG67981	N-[3-[6-amino-5-cyano-4-[4-(dimethylamino)phenyl]pyridin-2-yl]phenyl]methanesulfonamide	60147750	CHEMBL2335995; BDBM50490762; NSC752345; NSC-752345	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752345	.	.	.	.	407.5	C21H21N5O2S	121	690	3.2	29	2	7	5	"InChI=1S/C21H21N5O2S/c1-26(2)17-9-7-14(8-10-17)18-12-20(24-21(23)19(18)13-22)15-5-4-6-16(11-15)25-29(3,27)28/h4-12,25H,1-3H3,(H2,23,24)"	CN(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC(=CC=C3)NS(=O)(=O)C	UKLRGEOCJOIZCS-UHFFFAOYSA-N
DG67982	"N-[2-(2,6-dichlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide"	60147755	NSC752361; NSC-752361	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752361	.	.	.	.	514.4	C25H18Cl2FN3O2S	90.5	762	6.8	34	2	4	3	"InChI=1S/C25H18Cl2FN3O2S/c1-13-24(33)31(25(34-13)21-17(26)8-5-9-18(21)27)30-23(32)22-20(14-6-3-2-4-7-14)16-12-15(28)10-11-19(16)29-22/h2-13,25,29H,1H3,(H,30,32)"	CC1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)NC(=O)C3=C(C4=C(N3)C=CC(=C4)F)C5=CC=CC=C5	ZVLPUMJTGAXOLR-UHFFFAOYSA-N
DG67983	"2,7-bis(2-(benzylamino)ethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone bis(4-methylbenzenesulfonate) dihydrate"	60147756	"NSC752362; NSC-752362; 2,7-bis(2-(benzylamino)ethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone bis(4-methylbenzenesulfonate) dihydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752362	.	.	.	.	704.8	C39H36N4O7S	162	1040	.	51	3	9	11	"InChI=1S/C32H28N4O4.C7H8O3S/c37-29-23-11-13-25-28-26(32(40)36(31(25)39)18-16-34-20-22-9-5-2-6-10-22)14-12-24(27(23)28)30(38)35(29)17-15-33-19-21-7-3-1-4-8-21;1-6-2-4-7(5-3-6)11(8,9)10/h1-14,33-34H,15-20H2;2-5H,1H3,(H,8,9,10)"	CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CNCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCNCC6=CC=CC=C6)C2=O	WIEPTSVLJGFQSF-UHFFFAOYSA-N
DG67984	"2-[6-(4-Hydroxy-3-methoxy-benzylamino)-hexyl]-benzo[de]isoquinoline-1,3-dione para toluen sulphonate"	60147760	"NSC752365; NSC-752365; 2-[6-(4-Hydroxy-3-methoxy-benzylamino)-hexyl]-benzo[de]isoquinoline-1,3-dione para toluen sulphonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752365	.	.	.	.	604.7	C33H36N2O7S	142	818	.	43	3	8	11	"InChI=1S/C26H28N2O4.C7H8O3S/c1-32-23-16-18(12-13-22(23)29)17-27-14-4-2-3-5-15-28-25(30)20-10-6-8-19-9-7-11-21(24(19)20)26(28)31;1-6-2-4-7(5-3-6)11(8,9)10/h6-13,16,27,29H,2-5,14-15,17H2,1H3;2-5H,1H3,(H,8,9,10)"	CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=CC(=C1)CNCCCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)O	KCLMQUFSDNXPPR-UHFFFAOYSA-N
DG67985	"N-(4-chlorophenyl)-5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-amine"	60147767	CHEMBL2296401; NSC752384; NSC-752384	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752384	.	.	.	.	357.8	C18H16ClN3O3	69.4	432	4.5	25	1	6	6	"InChI=1S/C18H16ClN3O3/c1-23-15-8-9-16(24-2)12(11-15)3-10-17-21-22-18(25-17)20-14-6-4-13(19)5-7-14/h3-11H,1-2H3,(H,20,22)/b10-3+"	COC1=CC(=C(C=C1)OC)/C=C/C2=NN=C(O2)NC3=CC=C(C=C3)Cl	CJHCRQWJQHNXKV-XCVCLJGOSA-N
DG67986	"2-(4-chlorophenyl)-5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-1,2,4-triazole-3-thione"	60147768	NSC752385; NSC-752385	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752385	.	.	.	.	373.9	C18H16ClN3O2S	78.2	534	4.2	25	1	3	5	"InChI=1S/C18H16ClN3O2S/c1-23-15-8-9-16(24-2)12(11-15)3-10-17-20-18(25)22(21-17)14-6-4-13(19)5-7-14/h3-11H,1-2H3,(H,20,21,25)/b10-3+"	COC1=CC(=C(C=C1)OC)/C=C/C2=NC(=S)N(N2)C3=CC=C(C=C3)Cl	RFAAPHQRLOVTBZ-XCVCLJGOSA-N
DG67987	"[3-(3,4-Dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone"	60147773	"NSC752397; NSC-752397; [3-(3,4-Dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752397	.	.	.	.	506.5	C28H30N2O7	88	758	4.2	37	0	8	9	"InChI=1S/C28H30N2O7/c1-32-20-10-7-17(8-11-20)22-16-21(18-9-12-23(33-2)24(13-18)34-3)29-30(22)28(31)19-14-25(35-4)27(37-6)26(15-19)36-5/h7-15,22H,16H2,1-6H3"	COC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC(=C(C=C4)OC)OC	JEYZDIAWPWWMSA-UHFFFAOYSA-N
DG67988	"4-[5-(3,4-Dimethoxyphenyl)-2-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-pyrazol-3-yl]benzonitrile"	60147774	"NSC752398; NSC-752398; 4-[5-(3,4-Dimethoxyphenyl)-2-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-pyrazol-3-yl]benzonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752398	.	.	.	.	501.5	C28H27N3O6	103	836	3.9	37	0	8	8	"InChI=1S/C28H27N3O6/c1-33-23-11-10-19(12-24(23)34-2)21-15-22(18-8-6-17(16-29)7-9-18)31(30-21)28(32)20-13-25(35-3)27(37-5)26(14-20)36-4/h6-14,22H,15H2,1-5H3"	COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)C#N)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC	MURGIROGZCWTKA-UHFFFAOYSA-N
DG67989	"4-1-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]-1H-5-imidazolylaniline"	60147789	"SCHEMBL12479739; NSC752432; NSC-752432; 4-1-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]-1H-5-imidazolylaniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752432	.	.	.	.	458.5	C25H22N4O3S	113	629	4.7	33	1	7	6	"InChI=1S/C25H22N4O3S/c1-30-21-12-19-24(23(32-3)22(21)31-2)33-25(28-19)16-6-10-18(11-7-16)29-14-27-13-20(29)15-4-8-17(26)9-5-15/h4-14H,26H2,1-3H3"	COC1=C(C(=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N4C=NC=C4C5=CC=C(C=C5)N)OC)OC	MDQBTTILNGSXEF-UHFFFAOYSA-N
DG67990	"2-methoxy-5-1-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]-1H-5-imidazolylaniline"	60147797	"SCHEMBL15703539; NSC752442; NSC-752442; 2-methoxy-5-1-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]-1H-5-imidazolylaniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752442	.	.	.	.	488.6	C26H24N4O4S	122	684	4.7	35	1	8	7	"InChI=1S/C26H24N4O4S/c1-31-21-10-7-16(11-18(21)27)20-13-28-14-30(20)17-8-5-15(6-9-17)26-29-19-12-22(32-2)23(33-3)24(34-4)25(19)35-26/h5-14H,27H2,1-4H3"	COC1=C(C=C(C=C1)C2=CN=CN2C3=CC=C(C=C3)C4=NC5=CC(=C(C(=C5S4)OC)OC)OC)N	PTGOPXUJJOZNIM-UHFFFAOYSA-N
DG67991	"3-(3-fluorophenyl)-N-pyridin-3-yl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine"	60147811	NSC752461; NSC-752461	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752461	.	.	.	.	311.3	C15H10FN5S	94.7	387	3.6	22	2	6	3	"InChI=1S/C15H10FN5S/c16-10-4-1-3-9(7-10)12-13-14(21-20-12)19-15(22-13)18-11-5-2-6-17-8-11/h1-8H,(H2,18,19,20,21)"	C1=CC(=CC(=C1)F)C2=C3C(=NN2)N=C(S3)NC4=CN=CC=C4	WODVYHUXBKCERC-UHFFFAOYSA-N
DG67992	"methyl 2-((S,3Z)-6-((E)-1-hydroxy-3-phenylallylidene)-5-oxocyclohex-3-enyl)acetate"	60147813	"NSC752464; NSC-752464; methyl 2-((S,3Z)-6-((E)-1-hydroxy-3-phenylallylidene)-5-oxocyclohex-3-enyl)acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752464	.	.	.	.	298.3	C18H18O4	63.6	507	3.2	22	1	4	5	"InChI=1S/C18H18O4/c1-22-17(21)12-14-8-5-9-15(19)18(14)16(20)11-10-13-6-3-2-4-7-13/h2-7,9-11,14,20H,8,12H2,1H3/b11-10+,18-16-/t14-/m0/s1"	COC(=O)C[C@@H]\\1CC=CC(=O)/C1=C(/C=C/C2=CC=CC=C2)\\O	HAXYQNFQUDHACW-FIQZBLEBSA-N
DG67993	(5Z)-5-[(4-chlorophenyl)methylidene]-2-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-one	60147820	NSC752476; NSC-752476	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752476	.	.	.	.	392.9	C22H17ClN2OS	60.9	591	5.5	27	0	3	5	"InChI=1S/C22H17ClN2OS/c23-18-10-8-16(9-11-18)15-20-22(26)25(13-12-19-7-4-14-27-19)21(24-20)17-5-2-1-3-6-17/h1-11,14-15H,12-13H2/b20-15-"	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=C(C=C3)Cl)/C(=O)N2CCC4=CC=CS4	PDWAKOYCRCTLSK-HKWRFOASSA-N
DG67994	"2-N-(4-chlorophenyl)-4-N-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-6-N-phenyl-1,3,5-triazine-2,4,6-triamine"	60147824	NSC752480; NSC-752480	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752480	.	.	.	.	566.4	C30H21Cl2N7O	101	752	8.6	40	3	8	8	"InChI=1S/C30H21Cl2N7O/c31-21-10-6-20(7-11-21)27-18-26(39-40-27)19-8-14-24(15-9-19)34-29-36-28(33-23-4-2-1-3-5-23)37-30(38-29)35-25-16-12-22(32)13-17-25/h1-18H,(H3,33,34,35,36,37,38)"	C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)C5=NOC(=C5)C6=CC=C(C=C6)Cl	VONFMMUZDRYOQZ-UHFFFAOYSA-N
DG67995	NSC752503	60147825	"2,7-Bis-[2-(3,4,5-trimethoxy-benzylamino)-ethyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone dipara-toluensulfonate dihydrate salt; NSC752503; NSC-752503; 2,7-Bis-[2-(3,4,5-trimethoxy-benzylamino)-ethyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone dipara-toluensulfonate dihydrate salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752503	.	.	.	.	884.9	C45H48N4O13S	217	1310	.	63	3	15	17	"InChI=1S/C38H40N4O10.C7H8O3S/c1-47-27-15-21(16-28(48-2)33(27)51-5)19-39-11-13-41-35(43)23-7-9-25-32-26(10-8-24(31(23)32)36(41)44)38(46)42(37(25)45)14-12-40-20-22-17-29(49-3)34(52-6)30(18-22)50-4;1-6-2-4-7(5-3-6)11(8,9)10/h7-10,15-18,39-40H,11-14,19-20H2,1-6H3;2-5H,1H3,(H,8,9,10)"	CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=CC(=C1OC)OC)CNCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCNCC6=CC(=C(C(=C6)OC)OC)OC)C2=O	ZBLSAIQQBQDYHA-UHFFFAOYSA-N
DG67996	NSC752504	60147827	"2,7-Bis-[3-(3,4,5-trimethoxy-benzylamino)-propyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone diparatoluensulfonate dihydrate salt; NSC752504; NSC-752504; 2,7-Bis-[3-(3,4,5-trimethoxy-benzylamino)-propyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone diparatoluensulfonate dihydrate salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752504	.	.	.	.	913	C47H52N4O13S	217	1340	.	65	3	15	19	"InChI=1S/C40H44N4O10.C7H8O3S/c1-49-29-17-23(18-30(50-2)35(29)53-5)21-41-13-7-15-43-37(45)25-9-11-27-34-28(12-10-26(33(25)34)38(43)46)40(48)44(39(27)47)16-8-14-42-22-24-19-31(51-3)36(54-6)32(20-24)52-4;1-6-2-4-7(5-3-6)11(8,9)10/h9-12,17-20,41-42H,7-8,13-16,21-22H2,1-6H3;2-5H,1H3,(H,8,9,10)"	CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=CC(=C1OC)OC)CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCC6=CC(=C(C(=C6)OC)OC)OC)C2=O	MJOCBQIVFCWVAQ-UHFFFAOYSA-N
DG67997	"2,7-Bis-[12-(2-methoxy-benzylamino)-dodecyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-paratoluensulfonate dihydrate"	60147829	"NSC752505; NSC-752505; 2,7-Bis-[12-(2-methoxy-benzylamino)-dodecyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-paratoluensulfonate dihydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752505	.	.	.	.	1045.4	C61H80N4O9S	180	1450	.	75	3	11	33	"InChI=1S/C54H72N4O6.C7H8O3S/c1-63-47-29-21-19-27-41(47)39-55-35-23-15-11-7-3-5-9-13-17-25-37-57-51(59)43-31-33-45-50-46(34-32-44(49(43)50)52(57)60)54(62)58(53(45)61)38-26-18-14-10-6-4-8-12-16-24-36-56-40-42-28-20-22-30-48(42)64-2;1-6-2-4-7(5-3-6)11(8,9)10/h19-22,27-34,55-56H,3-18,23-26,35-40H2,1-2H3;2-5H,1H3,(H,8,9,10)"	CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=CC=C1CNCCCCCCCCCCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCCCCCCCCCCNCC6=CC=CC=C6OC)C2=O	LEGKTYHAISFGJC-UHFFFAOYSA-N
DG67998	"2,3-Bis-(2-phenoxyethoxy)-[1,4]naphthoquinone, 2,3-Bis-(2-phenoxyethoxy)-naphthalene-1,4-dione"	60147839	"NSC752642; NSC-752642; 2,3-Bis-(2-phenoxyethoxy)-[1,4]naphthoquinone, 2,3-Bis-(2-phenoxyethoxy)-naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752642	.	.	.	.	430.4	C26H22O6	71.1	603	5.1	32	0	6	10	"InChI=1S/C26H22O6/c27-23-21-13-7-8-14-22(21)24(28)26(32-18-16-30-20-11-5-2-6-12-20)25(23)31-17-15-29-19-9-3-1-4-10-19/h1-14H,15-18H2"	C1=CC=C(C=C1)OCCOC2=C(C(=O)C3=CC=CC=C3C2=O)OCCOC4=CC=CC=C4	AUIOMHWZHBVTPA-UHFFFAOYSA-N
DG67999	"(3Z)-1-(2,6-dichlorophenyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]indol-2-one"	60147866	CHEMBL2163554; NSC752703; NSC-752703	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752703	.	.	.	.	442.3	C23H17Cl2NO4	59	635	5.5	30	1	4	4	"InChI=1S/C23H17Cl2NO4/c1-29-19-11-13(12-20(30-2)22(19)27)10-15-14-6-3-4-9-18(14)26(23(15)28)21-16(24)7-5-8-17(21)25/h3-12,27H,1-2H3/b15-10-"	COC1=CC(=CC(=C1O)OC)/C=C\\2/C3=CC=CC=C3N(C2=O)C4=C(C=CC=C4Cl)Cl	FJFISXFAMYWPSK-GDNBJRDFSA-N
DG68000	"9-[(E)-2,3-dibromo-4-chlorobut-2-enyl]-6-methoxypurine"	60147870	NSC752707; NSC-752707	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752707	.	.	.	.	396.46	C10H9Br2ClN4O	52.8	331	2.5	18	0	4	4	"InChI=1S/C10H9Br2ClN4O/c1-18-10-8-9(14-4-15-10)17(5-16-8)3-7(12)6(11)2-13/h4-5H,2-3H2,1H3/b7-6+"	COC1=NC=NC2=C1N=CN2C/C(=C(/CCl)\\Br)/Br	VGOHKQDSXBLUFR-VOTSOKGWSA-N
DG68001	"N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(1,5-diphenylimidazol-2-yl)sulfanylacetamide"	60147874	NSC752761; NSC-752761	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752761	.	.	.	.	518.7	C30H22N4OS2	113	735	7.2	37	1	5	7	"InChI=1S/C30H22N4OS2/c35-28(32-23-17-15-22(16-18-23)29-33-25-13-7-8-14-27(25)37-29)20-36-30-31-19-26(21-9-3-1-4-10-21)34(30)24-11-5-2-6-12-24/h1-19H,20H2,(H,32,35)"	C1=CC=C(C=C1)C2=CN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6S5	FRAJCJVTYFAHQQ-UHFFFAOYSA-N
DG68002	"3,14,19-Tripropionylandrographolide"	60147888	"3,14,19-tripropionylandrographolide; NSC752811; NSC-752811"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752811	.	.	.	.	518.6	C29H42O8	105	952	4.7	37	0	8	12	"InChI=1S/C29H42O8/c1-7-24(30)35-17-29(6)22-13-10-18(4)20(28(22,5)15-14-23(29)37-26(32)9-3)12-11-19-21(16-34-27(19)33)36-25(31)8-2/h11,20-23H,4,7-10,12-17H2,1-3,5-6H3/b19-11+"	CCC(=O)OCC1(C2CCC(=C)C(C2(CCC1OC(=O)CC)C)C/C=C/3\\C(COC3=O)OC(=O)CC)C	JBWIJDKKWLFZGD-YBFXNURJSA-N
DG68003	"4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine;methyl sulfite"	60147889	NSC752837; NSC-752837	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752837	.	.	.	.	608.7	C24H30N7O6S3-	213	868	.	40	1	14	5	"InChI=1S/C23H27N7O3S2.CH4O3S/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19;1-4-5(2)3/h2-4,13-14H,5-12,15H2,1H3,(H,24,27);1H3,(H,2,3)/p-1"	COS(=O)[O-].CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	MLAGCKQQXHHVMB-UHFFFAOYSA-M
DG68004	3-(3-chloro-4-methoxyphenyl)-N-(2-(dimethylamino)ethyl)-4-(pyridin-4-yl)-1H-pyrazole-1-carboxamide	60147896	NSC752885; NSC-752885; 3-(3-chloro-4-methoxyphenyl)-N-(2-(dimethylamino)ethyl)-4-(pyridin-4-yl)-1H-pyrazole-1-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752885	.	.	.	.	399.9	C20H22ClN5O2	72.3	503	2.8	28	1	5	6	"InChI=1S/C20H22ClN5O2/c1-25(2)11-10-23-20(27)26-13-16(14-6-8-22-9-7-14)19(24-26)15-4-5-18(28-3)17(21)12-15/h4-9,12-13H,10-11H2,1-3H3,(H,23,27)"	CN(C)CCNC(=O)N1C=C(C(=N1)C2=CC(=C(C=C2)OC)Cl)C3=CC=NC=C3	ROMMIUKVIGYOPW-UHFFFAOYSA-N
DG68005	"4-(4-Chlorophenyl)-6-phenyl-2-thioxo-2,3,4,6-tetrahydropyrimido[5,4-c]quinolin-5(1H)-one"	60147922	"NSC753151; NSC-753151; 4-(4-Chlorophenyl)-6-phenyl-2-thioxo-2,3,4,6-tetrahydropyrimido[5,4-c]quinolin-5(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753151	.	.	.	.	417.9	C23H16ClN3OS	76.5	696	4.3	29	2	2	2	"InChI=1S/C23H16ClN3OS/c24-15-12-10-14(11-13-15)20-19-21(26-23(29)25-20)17-8-4-5-9-18(17)27(22(19)28)16-6-2-1-3-7-16/h1-13,20H,(H2,25,26,29)"	C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C(C2=O)C(NC(=S)N4)C5=CC=C(C=C5)Cl	HYQAYDASNHSFSH-UHFFFAOYSA-N
DG68006	"N-(2-(4-(6-(4-fluorophenyl)imidazo[2,1-b]thiazol-5-yl)pyrimidin-2-ylamino)ethyl)-4-methoxybenzamide"	60147936	"CHEMBL4277436; NSC753203; NSC-753203; N-(2-((4-(6-(4-fluorophenyl)imidazo[2,1-b]thiazol-5-yl)pyrimidin-2-yl)amino)ethyl)-4-methoxybenzamide; N-(2-(4-(6-(4-fluorophenyl)imidazo[2,1-b]thiazol-5-yl)pyrimidin-2-ylamino)ethyl)-4-methoxybenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753203	.	.	.	.	488.5	C25H21FN6O2S	122	691	4.9	35	2	8	8	"InChI=1S/C25H21FN6O2S/c1-34-19-8-4-17(5-9-19)23(33)27-12-13-29-24-28-11-10-20(30-24)22-21(16-2-6-18(26)7-3-16)31-25-32(22)14-15-35-25/h2-11,14-15H,12-13H2,1H3,(H,27,33)(H,28,29,30)"	COC1=CC=C(C=C1)C(=O)NCCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC=C(C=C5)F	QQOKKUKRNXQMQG-UHFFFAOYSA-N
DG68007	"11-Cyano-2,3-dichloro-7-azaisoindolo[2,1-c]benzo[1,2,4]triazine"	60147944	"NSC753211; NSC-753211; 11-Cyano-2,3-dichloro-7-azaisoindolo[2,1-c]benzo[1,2,4]triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753211	.	.	.	.	314.1	C14H5Cl2N5	66.9	466	3.8	21	0	4	0	InChI=1S/C14H5Cl2N5/c15-8-4-10-11(5-9(8)16)21-12(6-17)7-2-1-3-18-13(7)14(21)20-19-10/h1-5H	C1=CC2=C(N3C4=CC(=C(C=C4N=NC3=C2N=C1)Cl)Cl)C#N	PKBYQSQYWNWWBO-UHFFFAOYSA-N
DG68008	"3-hydroxy-9-methoxyisoindolo[2,1a]quinoxalin-6(5H)one"	60147950	"NSC753217; NSC-753217; 3-hydroxy-9-methoxyisoindolo[2,1a]quinoxalin-6(5H)one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753217	.	.	.	.	280.28	C16H12N2O3	63.5	430	2.4	21	2	3	1	"InChI=1S/C16H12N2O3/c1-21-11-3-4-12-9(6-11)8-18-14-5-2-10(19)7-13(14)17-16(20)15(12)18/h2-8,19H,1H3,(H,17,20)"	COC1=CC2=CN3C4=C(C=C(C=C4)O)NC(=O)C3=C2C=C1	HHMQIWLSKCWTIX-UHFFFAOYSA-N
DG68009	"3-Hydroxy-5,6-dihydro-6-imino-9-methoxyisoindolo-[2,1-a]quinoxaline"	60147951	"CHEMBL3416415; NSC753218; NSC-753218; 3-hydroxy-5,6-dihydro-6-imino-9-methoxyisoindolo-[2,1-a]quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753218	.	.	.	.	279.29	C16H13N3O2	72.8	394	3.4	21	2	4	1	"InChI=1S/C16H13N3O2/c1-21-11-3-4-12-9(6-11)8-19-14-5-2-10(20)7-13(14)18-16(17)15(12)19/h2-8,20H,1H3,(H2,17,18)"	COC1=CC2=CN3C4=C(C=C(C=C4)O)N=C(C3=C2C=C1)N	PXUHYXJETNWRLA-UHFFFAOYSA-N
DG68010	"3-hydroxy-8-methoxyisoindolo[2,1a]quinoxalin-6-(5H)-one"	60147952	"NSC753219; NSC-753219; 3-hydroxy-8-methoxyisoindolo[2,1a]quinoxalin-6-(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753219	.	.	.	.	280.28	C16H12N2O3	63.5	430	2.4	21	2	3	1	"InChI=1S/C16H12N2O3/c1-21-11-4-2-9-8-18-14-5-3-10(19)6-13(14)17-16(20)15(18)12(9)7-11/h2-8,19H,1H3,(H,17,20)"	COC1=CC2=C3C(=O)NC4=C(N3C=C2C=C1)C=CC(=C4)O	LCMXFTJOHJPNBX-UHFFFAOYSA-N
DG68011	"10-Fluoro-3-hydroxyisoindolo[2,1a]quinoxalin-6-(5H)-one"	60147953	"NSC753220; NSC-753220; 10-Fluoro-3-hydroxyisoindolo[2,1a]quinoxalin-6-(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753220	.	.	.	.	268.24	C15H9FN2O2	54.3	419	2.6	20	2	3	0	"InChI=1S/C15H9FN2O2/c16-11-3-1-2-9-10(11)7-18-13-5-4-8(19)6-12(13)17-15(20)14(9)18/h1-7,19H,(H,17,20)"	C1=CC2=C3C(=O)NC4=C(N3C=C2C(=C1)F)C=CC(=C4)O	LMVSMNFLNQFRPF-UHFFFAOYSA-N
DG68012	"3-Hydroxy-10-fluoro-5.6-dihydro-6-imino-isoindolo[2,1a]quinoxaline"	60147954	"CHEMBL3416414; NSC753221; NSC-753221; 3-Hydroxy-10-fluoro-5.6-dihydro-6-imino-isoindolo[2,1a]quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753221	.	.	.	.	267.26	C15H10FN3O	63.6	382	3.5	20	2	4	0	"InChI=1S/C15H10FN3O/c16-11-3-1-2-9-10(11)7-19-13-5-4-8(20)6-12(13)18-15(17)14(9)19/h1-7,20H,(H2,17,18)"	C1=CC2=C3C(=NC4=C(N3C=C2C(=C1)F)C=CC(=C4)O)N	HIGXPJTZQHKUND-UHFFFAOYSA-N
DG68013	"3-Hydroxy-5,6-dihydro-6-imino-8,9-dimethylisoindolo-[2,1-a]quinoxaline"	60147955	"CHEMBL3416412; NSC753222; NSC-753222; 3-Hydroxy-5,6-dihydro-6-imino-8,9-dimethylisoindolo-[2,1-a]quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753222	.	.	.	.	277.32	C17H15N3O	63.6	404	4.1	21	2	3	0	"InChI=1S/C17H15N3O/c1-9-5-11-8-20-15-4-3-12(21)7-14(15)19-17(18)16(20)13(11)6-10(9)2/h3-8,21H,1-2H3,(H2,18,19)"	CC1=CC2=CN3C4=C(C=C(C=C4)O)N=C(C3=C2C=C1C)N	VNJLXLIAJUKACY-UHFFFAOYSA-N
DG68014	"3-hydroxy-8,9-dimethylisoindolo[2,1a]quinoxalin-6-(5H)-one"	60147956	"NSC753223; NSC-753223; 3-hydroxy-8,9-dimethylisoindolo[2,1a]quinoxalin-6-(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753223	.	.	.	.	278.3	C17H14N2O2	54.3	441	3.2	21	2	2	0	"InChI=1S/C17H14N2O2/c1-9-5-11-8-19-15-4-3-12(20)7-14(15)18-17(21)16(19)13(11)6-10(9)2/h3-8,20H,1-2H3,(H,18,21)"	CC1=CC2=CN3C4=C(C=C(C=C4)O)NC(=O)C3=C2C=C1C	OOFZMVGNPQLOOY-UHFFFAOYSA-N
DG68015	"3-hydroxy-8,9-dimethoxylisoindolo[2,1a]quinoxalin-6-(5H)-one"	60147957	"NSC753224; NSC-753224; 3-hydroxy-8,9-dimethoxylisoindolo[2,1a]quinoxalin-6-(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753224	.	.	.	.	310.3	C17H14N2O4	72.7	474	2.4	23	2	4	2	"InChI=1S/C17H14N2O4/c1-22-14-5-9-8-19-13-4-3-10(20)6-12(13)18-17(21)16(19)11(9)7-15(14)23-2/h3-8,20H,1-2H3,(H,18,21)"	COC1=CC2=CN3C4=C(C=C(C=C4)O)NC(=O)C3=C2C=C1OC	ZOWTUSVWBAYUSE-UHFFFAOYSA-N
DG68016	"3-[2-(5-chloro-1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine"	60147969	"NSC753366; NSC-753366; 3-[2-(1-Methyl-5-chloro-1H-indole-3-yl)thiazole-4-yl]-1H-pyrrolo[2,3-b]pyridine; 3-[2-(5-chloro-1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753366	.	.	.	.	364.9	C19H13ClN4S	74.7	494	4.4	25	1	3	2	"InChI=1S/C19H13ClN4S/c1-24-9-15(13-7-11(20)4-5-17(13)24)19-23-16(10-25-19)14-8-22-18-12(14)3-2-6-21-18/h2-10H,1H3,(H,21,22)"	CN1C=C(C2=C1C=CC(=C2)Cl)C3=NC(=CS3)C4=CNC5=C4C=CC=N5	VBVHYCGEMNPAHV-UHFFFAOYSA-N
DG68017	"3-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-1-methyl-1H-indole"	60147979	"NSC753376; NSC-753376; 3-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-1-methyl-1H-indole; 3-[2-(1-Methyl-1H-indole-3-yl)thiazole-4-yl]-1H-pyrrolo[2,3-b]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753376	.	.	.	.	330.4	C19H14N4S	74.7	461	3.7	24	1	3	2	"InChI=1S/C19H14N4S/c1-23-10-15(12-5-2-3-7-17(12)23)19-22-16(11-24-19)14-9-21-18-13(14)6-4-8-20-18/h2-11H,1H3,(H,20,21)"	CN1C=C(C2=CC=CC=C21)C3=NC(=CS3)C4=CNC5=C4C=CC=N5	NWGCTTNQVVTNEW-UHFFFAOYSA-N
DG68018	"3-[2-(1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrrolo[2,3-b]pyridine"	60147980	"CHEMBL2435288; NSC753377; NSC-753377; 3-[2-(1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrrolo[2,3-b]pyridine; 3-[2-(1-Methyl-1H-indole-3-yl)thiazole-4-yl]-1-methyl-1H-pyrrolo[2,3-b]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753377	.	.	.	.	344.4	C20H16N4S	63.9	488	3.7	25	0	3	2	"InChI=1S/C20H16N4S/c1-23-11-16(13-6-3-4-8-18(13)23)20-22-17(12-25-20)15-10-24(2)19-14(15)7-5-9-21-19/h3-12H,1-2H3"	CN1C=C(C2=CC=CC=C21)C3=NC(=CS3)C4=CN(C5=C4C=CC=N5)C	HGOVNBKJYVOYMN-UHFFFAOYSA-N
DG68019	"3-[2-(5-fluoro-1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine"	60147995	"CHEMBL2435286; BDBM50441367; NSC753392; NSC-753392; 3-[2-(1-Methyl-5-fluoro-1H-indole-3-yl)thiazole-4-yl]-1H-pyrrolo[2,3-b]pyridine; 3-[2-(5-fluoro-1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753392	.	.	.	.	348.4	C19H13FN4S	74.7	494	3.8	25	1	4	2	"InChI=1S/C19H13FN4S/c1-24-9-15(13-7-11(20)4-5-17(13)24)19-23-16(10-25-19)14-8-22-18-12(14)3-2-6-21-18/h2-10H,1H3,(H,21,22)"	CN1C=C(C2=C1C=CC(=C2)F)C3=NC(=CS3)C4=CNC5=C4C=CC=N5	WUJJTRQJWCRHDQ-UHFFFAOYSA-N
DG68020	"3-[2-(5-fluoro-1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrrolo[2,3-b]pyridine"	60147996	"CHEMBL2435289; BDBM50441365; NSC753393; NSC-753393; 3-[2-(1-Methyl-5-fluoro-1H-indole-3-yl)thiazole-4-yl]-1-methyl-1H-pyrrolo[2,3-b]pyridine; 3-[2-(5-fluoro-1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrrolo[2,3-b]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753393	.	.	.	.	362.4	C20H15FN4S	63.9	522	3.8	26	0	4	2	"InChI=1S/C20H15FN4S/c1-24-10-16(14-8-12(21)5-6-18(14)24)20-23-17(11-26-20)15-9-25(2)19-13(15)4-3-7-22-19/h3-11H,1-2H3"	CN1C=C(C2=C1C=CC(=C2)F)C3=NC(=CS3)C4=CN(C5=C4C=CC=N5)C	RVXMCEYDYNUQQE-UHFFFAOYSA-N
DG68021	"5-benzylsulfanyl-1-(4-chlorophenyl)-3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1,2,4-triazole"	60148003	NSC753435; NSC-753435	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753435	.	.	.	.	464	C25H22ClN3O2S	74.5	584	6.9	32	0	5	8	"InChI=1S/C25H22ClN3O2S/c1-30-22-13-14-23(31-2)19(16-22)8-15-24-27-25(32-17-18-6-4-3-5-7-18)29(28-24)21-11-9-20(26)10-12-21/h3-16H,17H2,1-2H3/b15-8+"	COC1=CC(=C(C=C1)OC)/C=C/C2=NN(C(=N2)SCC3=CC=CC=C3)C4=CC=C(C=C4)Cl	QUFOJWJVLRRWFD-OVCLIPMQSA-N
DG68022	"2-4-[5-(3,5-dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,6,7-trimethoxy-1,3-benzothiazole"	60148006	"SCHEMBL16714460; NSC753456; NSC-753456; 2-4-[5-(3,5-dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,6,7-trimethoxy-1,3-benzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753456	.	.	.	.	503.6	C27H25N3O5S	105	686	5.3	36	0	8	8	"InChI=1S/C27H25N3O5S/c1-31-19-10-17(11-20(12-19)32-2)22-14-28-15-30(22)18-8-6-16(7-9-18)27-29-21-13-23(33-3)24(34-4)25(35-5)26(21)36-27/h6-15H,1-5H3"	COC1=CC(=CC(=C1)C2=CN=CN2C3=CC=C(C=C3)C4=NC5=CC(=C(C(=C5S4)OC)OC)OC)OC	BBIWPSPXUBZGFA-UHFFFAOYSA-N
DG68023	"2-4-[5-(3,5-dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,7-dimethoxy-1,3-benzothiazole"	60148008	"SCHEMBL15703674; NSC753458; NSC-753458; 2-4-[5-(3,5-dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,7-dimethoxy-1,3-benzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753458	.	.	.	.	473.5	C26H23N3O4S	95.9	640	5.3	34	0	7	7	"InChI=1S/C26H23N3O4S/c1-30-19-9-17(10-20(11-19)31-2)23-14-27-15-29(23)18-7-5-16(6-8-18)26-28-22-12-21(32-3)13-24(33-4)25(22)34-26/h5-15H,1-4H3"	COC1=CC(=CC(=C1)C2=CN=CN2C3=CC=C(C=C3)C4=NC5=C(S4)C(=CC(=C5)OC)OC)OC	DUHAPSHZAYLHAD-UHFFFAOYSA-N
DG68024	3-Chloro-16-[4-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethoxy]-benzylidene]-androst-5-ene-17-one	60148020	NSC753491; NSC-753491; 3-Chloro-16-[4-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethoxy]-benzylidene]-androst-5-ene-17-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753491	.	.	.	.	551.2	C33H43ClN2O3	49.8	1020	5.7	39	0	4	4	"InChI=1S/C33H43ClN2O3/c1-32-12-10-25(34)20-24(32)6-9-27-28(32)11-13-33(2)29(27)19-23(31(33)38)18-22-4-7-26(8-5-22)39-21-30(37)36-16-14-35(3)15-17-36/h4-8,18,25,27-29H,9-17,19-21H2,1-3H3/b23-18+"	CC12CCC(CC1=CCC3C2CCC4(C3C/C(=C\\C5=CC=C(C=C5)OCC(=O)N6CCN(CC6)C)/C4=O)C)Cl	AFPXSJKULFZBQM-PTGBLXJZSA-N
DG68025	"N1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxy}acetamide"	60148068	"NSC-753575; CHEMBL2036119; SCHEMBL16994703; NSC753575; N1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxy}acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753575	.	.	.	.	534.6	C28H26N2O7S	133	800	5.2	38	1	9	11	"InChI=1S/C28H26N2O7S/c1-33-21-12-10-17(9-11-20(31)18-14-23(34-2)27(36-4)24(15-18)35-3)13-22(21)37-16-26(32)30-28-29-19-7-5-6-8-25(19)38-28/h5-15H,16H2,1-4H3,(H,29,30,32)/b11-9+"	COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=CC=CC=C4S3	NAEVBAVXKKZMAT-PKNBQFBNSA-N
DG68026	"N1-(6-fluoro-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxyacetamide"	60148069	"NSC-753576; CHEMBL2088731; SCHEMBL16994636; NSC753576; N1-(6-fluoro-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxyacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753576	.	.	.	.	524.6	C27H25FN2O6S	116	748	5.8	37	1	9	10	"InChI=1S/C27H25FN2O6S/c1-32-20-10-7-16(5-6-17-12-22(33-2)26(35-4)23(13-17)34-3)11-21(20)36-15-25(31)30-27-29-19-9-8-18(28)14-24(19)37-27/h5-14H,15H2,1-4H3,(H,29,30,31)/b6-5-"	COC1=C(C=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)F	NVCOJLRZIWTYDP-WAYWQWQTSA-N
DG68027	"N1-(6-fluoro-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxyacetamide"	60148070	"NSC-753577; CHEMBL2036120; SCHEMBL16982304; SCHEMBL16982305; NSC753577; N1-(6-fluoro-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxyacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753577	.	.	.	.	552.6	C28H25FN2O7S	133	837	5.3	39	1	10	11	"InChI=1S/C28H25FN2O7S/c1-34-21-10-6-16(5-9-20(32)17-12-23(35-2)27(37-4)24(13-17)36-3)11-22(21)38-15-26(33)31-28-30-19-8-7-18(29)14-25(19)39-28/h5-14H,15H2,1-4H3,(H,30,31,33)/b9-5+"	COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)F	VLEFCFBASOATKN-WEVVVXLNSA-N
DG68028	"N1-(6-methoxy-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxyacetamide"	60148071	"NSC-753578; CHEMBL2088734; SCHEMBL16994630; NSC753578; N1-(6-methoxy-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxyacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753578	.	.	.	.	536.6	C28H28N2O7S	126	760	5.7	38	1	9	11	"InChI=1S/C28H28N2O7S/c1-32-19-9-10-20-25(15-19)38-28(29-20)30-26(31)16-37-22-12-17(8-11-21(22)33-2)6-7-18-13-23(34-3)27(36-5)24(14-18)35-4/h6-15H,16H2,1-5H3,(H,29,30,31)/b7-6-"	COC1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=C(C=CC(=C3)/C=C\\C4=CC(=C(C(=C4)OC)OC)OC)OC	VSXBADKKRGHCLJ-SREVYHEPSA-N
DG68029	"N1-(6-methoxy-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxyacetamide"	60148072	"NSC-753579; CHEMBL2036123; SCHEMBL16994674; NSC753579; N1-(6-methoxy-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxyacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753579	.	.	.	.	564.6	C29H28N2O8S	143	848	5.2	40	1	10	12	"InChI=1S/C29H28N2O8S/c1-34-19-8-9-20-26(15-19)40-29(30-20)31-27(33)16-39-23-12-17(7-11-22(23)35-2)6-10-21(32)18-13-24(36-3)28(38-5)25(14-18)37-4/h6-15H,16H2,1-5H3,(H,30,31,33)/b10-6+"	COC1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=C(C=CC(=C3)/C=C/C(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC	QYNSMTLYYMKJEP-UXBLZVDNSA-N
DG68030	"N1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxyacetamide"	60148074	"NSC-753581; N1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxyacetamide; CHEMBL2088735; SCHEMBL16994663; NSC753581; N1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-{2-methoxy-5-[(Z)-2-(3,4,5-trimethoxy phenyl)-1-ethenyl]phenoxy}acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753581	.	.	.	.	590.6	C28H25F3N2O7S	126	855	6.9	41	1	12	11	"InChI=1S/C28H25F3N2O7S/c1-35-20-10-7-16(5-6-17-12-22(36-2)26(38-4)23(13-17)37-3)11-21(20)39-15-25(34)33-27-32-19-9-8-18(14-24(19)41-27)40-28(29,30)31/h5-14H,15H2,1-4H3,(H,32,33,34)/b6-5-"	COC1=C(C=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC(F)(F)F	JLFIHODMVRGFQI-WAYWQWQTSA-N
DG68031	NSC753582	60148075	"N1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxyacetamide; NSC-753582; N1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxyacetamide; CHEMBL2036124; SCHEMBL16994672; NSC753582; N1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-{2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxy}acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753582	.	.	.	.	618.6	C29H25F3N2O8S	143	945	6.4	43	1	13	12	"InChI=1S/C29H25F3N2O8S/c1-37-21-10-6-16(5-9-20(35)17-12-23(38-2)27(40-4)24(13-17)39-3)11-22(21)41-15-26(36)34-28-33-19-8-7-18(14-25(19)43-28)42-29(30,31)32/h5-14H,15H2,1-4H3,(H,33,34,36)/b9-5+"	COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC(F)(F)F	CLUYVDQHCBMSAW-WEVVVXLNSA-N
DG68032	"N1-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxyacetamide"	60148077	"NSC-753584; N1-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxyacetamide; CHEMBL2088736; SCHEMBL16994632; NSC753584; N1-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-{2-methoxy-5-[(Z)-2-(3,4,5-trimethoxy phenyl)-1-ethenyl]phenoxy}acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753584	.	.	.	.	574.6	C28H25F3N2O6S	116	837	6.6	40	1	11	10	"InChI=1S/C28H25F3N2O6S/c1-35-20-10-7-16(5-6-17-12-22(36-2)26(38-4)23(13-17)37-3)11-21(20)39-15-25(34)33-27-32-19-9-8-18(28(29,30)31)14-24(19)40-27/h5-14H,15H2,1-4H3,(H,32,33,34)/b6-5-"	COC1=C(C=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)C(F)(F)F	CTFGBEMLJGKAGX-WAYWQWQTSA-N
DG68033	"N1-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxyacetamide"	60148078	"NSC-753585; N1-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxyacetamide; CHEMBL2036125; SCHEMBL16994675; NSC753585; N1-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-{2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxy}acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753585	.	.	.	.	602.6	C29H25F3N2O7S	133	927	6.1	42	1	12	11	"InChI=1S/C29H25F3N2O7S/c1-37-21-10-6-16(5-9-20(35)17-12-23(38-2)27(40-4)24(13-17)39-3)11-22(21)41-15-26(36)34-28-33-19-8-7-18(29(30,31)32)14-25(19)42-28/h5-14H,15H2,1-4H3,(H,33,34,36)/b9-5+"	COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)C(F)(F)F	IUCFDVWQWRXEJN-WEVVVXLNSA-N
DG68034	NSC753586	60148079	"N1-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-5-[1-acetyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-5-pyrazolyl]-2-methoxyphenoxyacetamide; N1-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-5-[1-acetyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-5-pyrazolyl]-2-methoxyphenoxyacetamide; SCHEMBL16982303; NSC753586; NSC-753586; N1-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-{5-[1-acetyl-3-(3,4,5-trimethoxy phenyl)-4,5-dihydro-1H-5-pyrazolyl]-2-methoxyphenoxy}acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753586	.	.	.	.	658.6	C31H29F3N4O7S	149	1090	5.1	46	1	13	10	"InChI=1S/C31H29F3N4O7S/c1-16(39)38-22(14-21(37-38)18-11-25(42-3)29(44-5)26(12-18)43-4)17-6-9-23(41-2)24(10-17)45-15-28(40)36-30-35-20-8-7-19(31(32,33)34)13-27(20)46-30/h6-13,22H,14-15H2,1-5H3,(H,35,36,40)"	CC(=O)N1C(CC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC(=C(C=C3)OC)OCC(=O)NC4=NC5=C(S4)C=C(C=C5)C(F)(F)F	CTDNMZSCKGWXBZ-UHFFFAOYSA-N
DG68035	Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]thiophene-3-carboxylate	60148085	NSC753598; NSC-753598	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753598	.	.	.	.	365.3	C16H10F3N3O2S	92.4	466	4.2	25	1	9	5	"InChI=1S/C16H10F3N3O2S/c17-16(18,19)13-8-10(3-6-21-13)22-14-12(4-7-25-14)15(23)24-11-2-1-5-20-9-11/h1-9H,(H,21,22)"	C1=CC(=CN=C1)OC(=O)C2=C(SC=C2)NC3=CC(=NC=C3)C(F)(F)F	LKBVJJVVXYYXTA-UHFFFAOYSA-N
DG68036	"6-[4-(Dimethylamino)phenyl]-2-(4-hydroxypiperidin-1-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile"	60148087	NSC753600; NSC-753600	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753600	.	.	.	.	488.6	C28H32N4O4	91.1	714	4.2	36	1	8	7	"InChI=1S/C28H32N4O4/c1-31(2)20-8-6-18(7-9-20)24-16-22(19-14-25(34-3)27(36-5)26(15-19)35-4)23(17-29)28(30-24)32-12-10-21(33)11-13-32/h6-9,14-16,21,33H,10-13H2,1-5H3"	CN(C)C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C(C(=C3)OC)OC)OC)C#N)N4CCC(CC4)O	YJMXCJHPFUUOHC-UHFFFAOYSA-N
DG68037	"4-[4-(Diethylamino)phenyl]-2-(4-hydroxypiperidin-1-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile"	60148088	NSC753601; NSC-753601	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753601	.	.	.	.	516.6	C30H36N4O4	91.1	743	5	38	1	8	9	"InChI=1S/C30H36N4O4/c1-6-33(7-2)22-10-8-20(9-11-22)24-18-26(21-16-27(36-3)29(38-5)28(17-21)37-4)32-30(25(24)19-31)34-14-12-23(35)13-15-34/h8-11,16-18,23,35H,6-7,12-15H2,1-5H3"	CCN(CC)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N3CCC(CC3)O)C4=CC(=C(C(=C4)OC)OC)OC	YYQHKAJBNHVYSL-UHFFFAOYSA-N
DG68038	"N-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide"	60148090	NSC753603; NSC-753603	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753603	.	.	.	.	515.5	C26H21N5O5S	151	895	3.8	37	2	8	7	"InChI=1S/C26H21N5O5S/c1-35-16-9-7-15(8-10-16)31-25(34)19-6-4-3-5-18(19)23(30-31)24(33)27-14-22(32)29-26-28-20-13-17(36-2)11-12-21(20)37-26/h3-13H,14H2,1-2H3,(H,27,33)(H,28,29,32)"	COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4=NC5=C(S4)C=CC(=C5)OC	IEJHSMZALMVEED-UHFFFAOYSA-N
DG68039	NSC753667	60148126	"meso-(1R,2S,4Z,6E,8S,9R,11Z,13E,15E,17E)-16,18-bis[(furan-2-ylmethyl)amino]-3,5,10,12,15,17-hexaaza-7,14-diazoniapentacyclo[7.5.2.22,8.02,6.09,13]octadeca-4,6,11,13,15,17-hexaene dichloride; NSC753667; NSC-753667; meso-(1R,2S,4Z,6E,8S,9R,11Z,13E,15E,17E)-16,18-bis[(furan-2-ylmethyl)amino]-3,5,10,12,15,17-hexaaza-7,14-diazoniapentacyclo[7.5.2.22,8.02,6.09,13]octadeca-4,6,11,13,15,17-hexaene dichloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753667	.	.	.	.	466.9	C20H19ClN10O2	149	938	.	33	5	8	6	"InChI=1S/C20H18N10O2.ClH/c1-3-11(31-5-1)7-21-13-19-15(23-9-25-19)29-18(27-13)20-14(22-8-12-4-2-6-32-12)28-17(19)30-16(20)24-10-26-20;/h1-6,9-10,17-18H,7-8H2,(H,21,27)(H,22,28)(H,23,25,29)(H,24,26,30);1H/t17-,18+,19+,20-;"	C1=COC(=C1)CNC2=N[C@H]3[C@@]45C(=N[C@@H]([C@]26C(=N3)NC=N6)N=C4NCC7=CC=CO7)NC=N5.Cl	LUOUSHSUKGKEOC-WPVSFAKOSA-N
DG68040	"2-[(1-anilino-4H-thiochromeno[3,4-d]imidazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide"	60148157	NSC753769; NSC-753769	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753769	.	.	.	.	562.1	C27H20ClN5OS3	151	768	7.2	37	2	7	7	"InChI=1S/C27H20ClN5OS3/c28-18-12-10-17(11-13-18)21-14-36-26(29-21)31-24(34)16-37-27-30-22-15-35-23-9-5-4-8-20(23)25(22)33(27)32-19-6-2-1-3-7-19/h1-14,32H,15-16H2,(H,29,31,34)"	C1C2=C(C3=CC=CC=C3S1)N(C(=N2)SCC(=O)NC4=NC(=CS4)C5=CC=C(C=C5)Cl)NC6=CC=CC=C6	OFFIPAJYLGHKHR-UHFFFAOYSA-N
DG68041	"2-(1-anilino-4-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide"	60148160	NSC753772; NSC-753772	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753772	.	.	.	.	527.7	C28H25N5O2S2	135	713	6.8	37	2	7	9	"InChI=1S/C28H25N5O2S2/c1-19-26(21-9-5-3-6-10-21)33(32-22-11-7-4-8-12-22)28(29-19)37-18-25(34)31-27-30-24(17-36-27)20-13-15-23(35-2)16-14-20/h3-17,32H,18H2,1-2H3,(H,30,31,34)"	CC1=C(N(C(=N1)SCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)OC)NC4=CC=CC=C4)C5=CC=CC=C5	FLIFJXOZZUOGBH-UHFFFAOYSA-N
DG68042	NSC753941	60148205	3-(dimethylamino)-N-[4-[4-[3-[[3-[1-[4-[3-(dimethylamino)propanoylamino]phenyl]triazol-4-yl]phenyl]carbamothioylamino]phenyl]triazol-1-yl]phenyl]propanamide; NSC753941; NSC-753941	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753941	.	.	.	.	742.9	C39H42N12O2S	182	1110	3.6	54	4	9	14	"InChI=1S/C39H42N12O2S/c1-48(2)21-19-37(52)40-29-11-15-33(16-12-29)50-25-35(44-46-50)27-7-5-9-31(23-27)42-39(54)43-32-10-6-8-28(24-32)36-26-51(47-45-36)34-17-13-30(14-18-34)41-38(53)20-22-49(3)4/h5-18,23-26H,19-22H2,1-4H3,(H,40,52)(H,41,53)(H2,42,43,54)"	CN(C)CCC(=O)NC1=CC=C(C=C1)N2C=C(N=N2)C3=CC(=CC=C3)NC(=S)NC4=CC=CC(=C4)C5=CN(N=N5)C6=CC=C(C=C6)NC(=O)CCN(C)C	KFVHUTKPTJKAIW-UHFFFAOYSA-N
DG68043	Prepyridomacrolidine A	60148209	Prepyridomacrolidine A; NSC753975; NSC-753975	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753975	.	.	.	.	567.6	C31H37NO9	151	1130	4	41	3	9	8	"InChI=1S/C31H37NO9/c1-5-18(2)14-19(3)6-13-25(35)29-30(38)24(21-8-11-22(33)12-9-21)17-32(31(29)39)41-27-15-23(34)10-7-20(4)40-28(37)16-26(27)36/h6,8-9,11-14,17-18,20,26-27,33,36,38H,5,7,10,15-16H2,1-4H3/b13-6+,19-14+/t18-,20 ,26 ,27 /m1/s1"	CC[C@@H](C)/C=C(\\C)/C=C/C(=O)C1=C(C(=CN(C1=O)OC2CC(=O)CCC(OC(=O)CC2O)C)C3=CC=C(C=C3)O)O	IUAXYRZOSAKXHF-YGVVMLNDSA-N
DG68044	Tenellin camphanic acid ester	60148212	Tenellin camphanic acid ester; NSC753978; NSC-753978	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753978	.	.	.	.	549.6	C31H35NO8	130	1230	5.6	40	2	8	9	"InChI=1S/C31H35NO8/c1-7-18(2)16-19(3)8-13-23(33)24-25(34)22(17-32(38)26(24)35)20-9-11-21(12-10-20)39-28(37)31-15-14-30(6,27(36)40-31)29(31,4)5/h8-13,16-18,34,38H,7,14-15H2,1-6H3/b13-8+,19-16+/t18-,30+,31-/m1/s1"	CC[C@@H](C)/C=C(\\C)/C=C/C(=O)C1=C(C(=CN(C1=O)O)C2=CC=C(C=C2)OC(=O)[C@]34CC[C@](C3(C)C)(C(=O)O4)C)O	KMSZAFGXIAVAJT-BYNLOMPOSA-N
DG68045	"(E)-3-(4-((6-methoxynaphthalen-2-yl)ethynyl)-2-methylphenyl)-2-(3,4,5-trimethoxystyryl)quinazolin-4(3H)-one"	60148232	"(E)-3-(4-((6-methoxynaphthalen-2-yl)ethynyl)-2-methylphenyl)-2-(3,4,5-trimethoxystyryl)quinazolin-4(3H)-one; CHEMBL3218609; SCHEMBL12479017; SCHEMBL12479020; NSC754032; NSC-754032"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754032	.	.	.	.	608.7	C39H32N2O5	69.6	1160	8	46	0	6	9	"InChI=1S/C39H32N2O5/c1-25-20-26(10-11-27-12-15-30-24-31(43-2)17-16-29(30)21-27)13-18-34(25)41-37(40-33-9-7-6-8-32(33)39(41)42)19-14-28-22-35(44-3)38(46-5)36(23-28)45-4/h6-9,12-24H,1-5H3/b19-14+"	CC1=C(C=CC(=C1)C#CC2=CC3=C(C=C2)C=C(C=C3)OC)N4C(=NC5=CC=CC=C5C4=O)/C=C/C6=CC(=C(C(=C6)OC)OC)OC	IXIGCONYNCXDQH-XMHGGMMESA-N
DG68046	"7-(2-methoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	60148267	"NSC754073; NSC-754073; 7-(2-methoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754073	.	.	.	.	356.4	C23H20N2O2	40.2	495	4.3	27	0	3	4	"InChI=1S/C23H20N2O2/c1-26-21-10-6-5-9-18(21)14-25-15-20-19(12-11-17-13-24-27-23(17)20)22(25)16-7-3-2-4-8-16/h2-10,13,15H,11-12,14H2,1H3"	COC1=CC=CC=C1CN2C=C3C(=C2C4=CC=CC=C4)CCC5=C3ON=C5	VMSLKIFRFDOHLF-UHFFFAOYSA-N
DG68047	"7-(2,5-dimethoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	60148270	"NSC754076; NSC-754076; 7-(2,5-dimethoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754076	.	.	.	.	386.4	C24H22N2O3	49.4	540	4.3	29	0	4	5	"InChI=1S/C24H22N2O3/c1-27-19-9-11-22(28-2)18(12-19)14-26-15-21-20(10-8-17-13-25-29-24(17)21)23(26)16-6-4-3-5-7-16/h3-7,9,11-13,15H,8,10,14H2,1-2H3"	COC1=CC(=C(C=C1)OC)CN2C=C3C(=C2C4=CC=CC=C4)CCC5=C3ON=C5	WXRBOCFUPLGSFH-UHFFFAOYSA-N
DG68048	"7-(3,4-dimethoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	60148271	"NSC754077; NSC-754077; 7-(3,4-dimethoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754077	.	.	.	.	386.4	C24H22N2O3	49.4	540	4.3	29	0	4	5	"InChI=1S/C24H22N2O3/c1-27-21-11-8-16(12-22(21)28-2)14-26-15-20-19(10-9-18-13-25-29-24(18)20)23(26)17-6-4-3-5-7-17/h3-8,11-13,15H,9-10,14H2,1-2H3"	COC1=C(C=C(C=C1)CN2C=C3C(=C2C4=CC=CC=C4)CCC5=C3ON=C5)OC	OYFNBGHIYAWWIH-UHFFFAOYSA-N
DG68049	"7-(4-methoxybenzyl)-4,4-dimethyl-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	60148275	"NSC754081; NSC-754081; 7-(4-methoxybenzyl)-4,4-dimethyl-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754081	.	.	.	.	384.5	C25H24N2O2	40.2	553	5.2	29	0	3	4	"InChI=1S/C25H24N2O2/c1-25(2)13-20-21(24-22(25)14-26-29-24)16-27(23(20)18-7-5-4-6-8-18)15-17-9-11-19(28-3)12-10-17/h4-12,14,16H,13,15H2,1-3H3"	CC1(CC2=C(N(C=C2C3=C1C=NO3)CC4=CC=C(C=C4)OC)C5=CC=CC=C5)C	ZUXOVRUANBMMIM-UHFFFAOYSA-N
DG68050	"7-(3-amino-4-methoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	60148277	"CHEMBL4463720; NSC754083; NSC-754083; 7-(3-amino-4-methoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754083	.	.	.	.	371.4	C23H21N3O2	66.2	526	3.6	28	1	4	4	"InChI=1S/C23H21N3O2/c1-27-21-10-7-15(11-20(21)24)13-26-14-19-18(9-8-17-12-25-28-23(17)19)22(26)16-5-3-2-4-6-16/h2-7,10-12,14H,8-9,13,24H2,1H3"	COC1=C(C=C(C=C1)CN2C=C3C(=C2C4=CC=CC=C4)CCC5=C3ON=C5)N	NNIHZORVAXIZAJ-UHFFFAOYSA-N
DG68051	"4-[7-(4-methoxybenzyl)-4,5,7,8b-tetrahydro-3aH-isoxazolo[5,4-e]isoindol-6-yl]phenol"	60148278	"CHEMBL4463159; NSC754084; NSC-754084; 4-[7-(4-methoxybenzyl)-4,5,7,8b-tetrahydro-3aH-isoxazolo[5,4-e]isoindol-6-yl]phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754084	.	.	.	.	372.4	C23H20N2O3	60.4	516	3.9	28	1	4	4	"InChI=1S/C23H20N2O3/c1-27-19-9-2-15(3-10-19)13-25-14-21-20(11-6-17-12-24-28-23(17)21)22(25)16-4-7-18(26)8-5-16/h2-5,7-10,12,14,26H,6,11,13H2,1H3"	COC1=CC=C(C=C1)CN2C=C3C(=C2C4=CC=C(C=C4)O)CCC5=C3ON=C5	QKENMXFXGQVOQT-UHFFFAOYSA-N
DG68052	"4-methoxy-[7-(4-methoxybenzyl)-4,5,7,8b-tetrahydro-3aH-isoxazolo[5,4-e]isoindol-6-yl]phenol"	60148279	"CHEMBL4455179; NSC754085; NSC-754085; 4-methoxy-[7-(4-methoxybenzyl)-4,5,7,8b-tetrahydro-3aH-isoxazolo[5,4-e]isoindol-6-yl]phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754085	.	.	.	.	386.4	C24H22N2O3	49.4	530	4.3	29	0	4	5	"InChI=1S/C24H22N2O3/c1-27-19-8-3-16(4-9-19)14-26-15-22-21(12-7-18-13-25-29-24(18)22)23(26)17-5-10-20(28-2)11-6-17/h3-6,8-11,13,15H,7,12,14H2,1-2H3"	COC1=CC=C(C=C1)CN2C=C3C(=C2C4=CC=C(C=C4)OC)CCC5=C3ON=C5	JSHPAVXOZAPEHH-UHFFFAOYSA-N
DG68053	"7-(4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	60148281	"CHEMBL4581544; NSC754087; NSC-754087; 7-(4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754087	.	.	.	.	446.5	C26H26N2O5	67.9	616	4.2	33	0	6	7	"InChI=1S/C26H26N2O5/c1-29-19-8-5-16(6-9-19)14-28-15-21-20(10-7-17-13-27-33-25(17)21)24(28)18-11-22(30-2)26(32-4)23(12-18)31-3/h5-6,8-9,11-13,15H,7,10,14H2,1-4H3"	COC1=CC=C(C=C1)CN2C=C3C(=C2C4=CC(=C(C(=C4)OC)OC)OC)CCC5=C3ON=C5	JXWDOVBKIROIIP-UHFFFAOYSA-N
DG68054	"7-(3-nitro-4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	60148282	"CHEMBL4591753; NSC754088; NSC-754088; 7-(3-nitro-4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754088	.	.	.	.	491.5	C26H25N3O7	114	740	4	36	0	8	7	"InChI=1S/C26H25N3O7/c1-32-21-8-5-15(9-20(21)29(30)31)13-28-14-19-18(7-6-16-12-27-36-25(16)19)24(28)17-10-22(33-2)26(35-4)23(11-17)34-3/h5,8-12,14H,6-7,13H2,1-4H3"	COC1=C(C=C(C=C1)CN2C=C3C(=C2C4=CC(=C(C(=C4)OC)OC)OC)CCC5=C3ON=C5)[N+](=O)[O-]	UPDUEWILHAFPQP-UHFFFAOYSA-N
DG68055	"7-(3-amino-4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	60148283	"CHEMBL4515731; NSC754089; NSC-754089; 7-(3-amino-4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754089	.	.	.	.	461.5	C26H27N3O5	93.9	656	3.5	34	1	7	7	"InChI=1S/C26H27N3O5/c1-30-21-8-5-15(9-20(21)27)13-29-14-19-18(7-6-16-12-28-34-25(16)19)24(29)17-10-22(31-2)26(33-4)23(11-17)32-3/h5,8-12,14H,6-7,13,27H2,1-4H3"	COC1=C(C=C(C=C1)CN2C=C3C(=C2C4=CC(=C(C(=C4)OC)OC)OC)CCC5=C3ON=C5)N	MNXCNJAMZLPOFR-UHFFFAOYSA-N
DG68056	"7-(3-methoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	60148284	"CHEMBL3885050; NSC754090; NSC-754090; 7-(3-methoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754090	.	.	.	.	280.32	C17H16N2O2	40.2	365	2.6	21	0	3	3	"InChI=1S/C17H16N2O2/c1-20-15-4-2-3-12(7-15)9-19-10-14-6-5-13-8-18-21-17(13)16(14)11-19/h2-4,7-8,10-11H,5-6,9H2,1H3"	COC1=CC=CC(=C1)CN2C=C3CCC4=C(C3=C2)ON=C4	JWPJIUTZZXWBIR-UHFFFAOYSA-N
DG68057	"7-(2-methoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	60148285	"CHEMBL3884710; NSC754091; NSC-754091; 7-(2-methoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754091	.	.	.	.	280.32	C17H16N2O2	40.2	365	2.6	21	0	3	3	"InChI=1S/C17H16N2O2/c1-20-16-5-3-2-4-14(16)10-19-9-13-7-6-12-8-18-21-17(12)15(13)11-19/h2-5,8-9,11H,6-7,10H2,1H3"	COC1=CC=CC=C1CN2C=C3CCC4=C(C3=C2)ON=C4	NYUUTGKBHIEFCB-UHFFFAOYSA-N
DG68058	"7-(2,5-dimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	60148286	"CHEMBL3883353; NSC754092; NSC-754092; 7-(2,5-dimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754092	.	.	.	.	310.3	C18H18N2O3	49.4	408	2.6	23	0	4	4	"InChI=1S/C18H18N2O3/c1-21-15-5-6-17(22-2)14(7-15)10-20-9-13-4-3-12-8-19-23-18(12)16(13)11-20/h5-9,11H,3-4,10H2,1-2H3"	COC1=CC(=C(C=C1)OC)CN2C=C3CCC4=C(C3=C2)ON=C4	ASYPZPBZUPOZOB-UHFFFAOYSA-N
DG68059	"7-(3,4-dimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	60148287	"CHEMBL3884742; NSC754093; NSC-754093; 7-(3,4-dimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754093	.	.	.	.	310.3	C18H18N2O3	49.4	408	2.6	23	0	4	4	"InChI=1S/C18H18N2O3/c1-21-16-6-3-12(7-17(16)22-2)9-20-10-14-5-4-13-8-19-23-18(13)15(14)11-20/h3,6-8,10-11H,4-5,9H2,1-2H3"	COC1=C(C=C(C=C1)CN2C=C3CCC4=C(C3=C2)ON=C4)OC	AQQPAZYXDDZERI-UHFFFAOYSA-N
DG68060	"7-(3,4,5-trimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	60148288	"CHEMBL3884079; NSC754094; NSC-754094; 7-(3,4,5-trimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754094	.	.	.	.	340.4	C19H20N2O4	58.6	437	2.6	25	0	5	5	"InChI=1S/C19H20N2O4/c1-22-16-6-12(7-17(23-2)19(16)24-3)9-21-10-14-5-4-13-8-20-25-18(13)15(14)11-21/h6-8,10-11H,4-5,9H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)CN2C=C3CCC4=C(C3=C2)ON=C4	YDAVKJAPXRUIHD-UHFFFAOYSA-N
DG68061	"8-(3,5-dimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole"	60148296	"NSC754102; NSC-754102; 8-(3,5-dimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754102	.	.	.	.	310.3	C18H18N2O3	49.4	396	2.6	23	0	4	4	"InChI=1S/C18H18N2O3/c1-21-15-7-12(8-16(9-15)22-2)11-20-6-5-13-3-4-14-10-19-23-18(14)17(13)20/h5-10H,3-4,11H2,1-2H3"	COC1=CC(=CC(=C1)CN2C=CC3=C2C4=C(CC3)C=NO4)OC	PBYHEHQUPPMFPG-UHFFFAOYSA-N
DG68062	"ethyl 8-benzyl-5,8-dihydro-4H-isoxazolo[4,5-g]indole-7-carboxylate"	60148299	"NSC754105; NSC-754105; ethyl 8-benzyl-5,8-dihydro-4H-isoxazolo[4,5-g]indole-7-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754105	.	.	.	.	322.4	C19H18N2O3	57.3	452	3.2	24	0	4	5	"InChI=1S/C19H18N2O3/c1-2-23-19(22)16-10-14-8-9-15-11-20-24-18(15)17(14)21(16)12-13-6-4-3-5-7-13/h3-7,10-11H,2,8-9,12H2,1H3"	CCOC(=O)C1=CC2=C(N1CC3=CC=CC=C3)C4=C(CC2)C=NO4	KKXUUZXDIQZJJR-UHFFFAOYSA-N
DG68063	"ethyl 8-(3-methoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole-7-carboxylate"	60148303	"NSC754109; NSC-754109; ethyl 8-(3-methoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole-7-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754109	.	.	.	.	352.4	C20H20N2O4	66.5	502	3.2	26	0	5	6	"InChI=1S/C20H20N2O4/c1-3-25-20(23)17-10-14-7-8-15-11-21-26-19(15)18(14)22(17)12-13-5-4-6-16(9-13)24-2/h4-6,9-11H,3,7-8,12H2,1-2H3"	CCOC(=O)C1=CC2=C(N1CC3=CC(=CC=C3)OC)C4=C(CC2)C=NO4	PZWHDUHHNPDBRO-UHFFFAOYSA-N
DG68064	"Ethyl 6-chloro-8-(3-methoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole-7-carboxylate"	60148304	"NSC754110; NSC-754110; Ethyl 6-chloro-8-(3-methoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole-7-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754110	.	.	.	.	386.8	C20H19ClN2O4	66.5	536	3.8	27	0	5	6	"InChI=1S/C20H19ClN2O4/c1-3-26-20(24)18-16(21)15-8-7-13-10-22-27-19(13)17(15)23(18)11-12-5-4-6-14(9-12)25-2/h4-6,9-10H,3,7-8,11H2,1-2H3"	CCOC(=O)C1=C(C2=C(N1CC3=CC(=CC=C3)OC)C4=C(CC2)C=NO4)Cl	OYDDLHCZFRKVDF-UHFFFAOYSA-N
DG68065	"ethyl 8-(3,5-dimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole-7-carboxylate"	60148305	"CHEMBL4743994; NSC754111; NSC-754111; ethyl 8-(3,5-dimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole-7-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754111	.	.	.	.	382.4	C21H22N2O5	75.7	535	3.2	28	0	6	7	"InChI=1S/C21H22N2O5/c1-4-27-21(24)18-9-14-5-6-15-11-22-28-20(15)19(14)23(18)12-13-7-16(25-2)10-17(8-13)26-3/h7-11H,4-6,12H2,1-3H3"	CCOC(=O)C1=CC2=C(N1CC3=CC(=CC(=C3)OC)OC)C4=C(CC2)C=NO4	FPWPTPWEKQDWRR-UHFFFAOYSA-N
DG68066	"7-phenyl-8-(3,4,5-trimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole"	60148310	"NSC754116; NSC-754116; 7-phenyl-8-(3,4,5-trimethoxybenzyl)- 5,8-dihydro-4H-isoxazolo[4,5-g]indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754116	.	.	.	.	416.5	C25H24N2O4	58.6	572	4.3	31	0	5	6	"InChI=1S/C25H24N2O4/c1-28-21-11-16(12-22(29-2)25(21)30-3)15-27-20(17-7-5-4-6-8-17)13-18-9-10-19-14-26-31-24(19)23(18)27/h4-8,11-14H,9-10,15H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)CN2C(=CC3=C2C4=C(CC3)C=NO4)C5=CC=CC=C5	XTYVOPJJXNRPAC-UHFFFAOYSA-N
DG68067	"7-phenyl-8-(3,5-dimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole"	60148311	"NSC754117; NSC-754117; 7-phenyl-8-(3,5-dimethoxybenzyl)- 5,8-dihydro-4H-isoxazolo[4,5-g]indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754117	.	.	.	.	386.4	C24H22N2O3	49.4	528	4.3	29	0	4	5	"InChI=1S/C24H22N2O3/c1-27-20-10-16(11-21(13-20)28-2)15-26-22(17-6-4-3-5-7-17)12-18-8-9-19-14-25-29-24(19)23(18)26/h3-7,10-14H,8-9,15H2,1-2H3"	COC1=CC(=CC(=C1)CN2C(=CC3=C2C4=C(CC3)C=NO4)C5=CC=CC=C5)OC	ZANAWRGCFBXBDU-UHFFFAOYSA-N
DG68068	"6-chloro-7-phenyl-8-(3,5-dimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole"	60148312	"NSC754118; NSC-754118; 6-chloro-7-phenyl-8-(3,5-dimethoxybenzyl)- 5,8-dihydro-4H-isoxazolo[4,5-g]indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754118	.	.	.	.	420.9	C24H21ClN2O3	49.4	563	4.9	30	0	4	5	"InChI=1S/C24H21ClN2O3/c1-28-18-10-15(11-19(12-18)29-2)14-27-22(16-6-4-3-5-7-16)21(25)20-9-8-17-13-26-30-24(17)23(20)27/h3-7,10-13H,8-9,14H2,1-2H3"	COC1=CC(=CC(=C1)CN2C3=C(CCC4=C3ON=C4)C(=C2C5=CC=CC=C5)Cl)OC	ANYZWGYCJQGLGF-UHFFFAOYSA-N
DG68069	"2,7-Bis-(3-prop-2-ynylamino-propyl)-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone dihydrochloride"	60148335	"NSC754153; NSC-754153; 2,7-Bis-(3-prop-2-ynylamino-propyl)-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754153	.	.	.	.	493	C26H25ClN4O4	98.8	819	.	35	3	6	10	"InChI=1S/C26H24N4O4.ClH/c1-3-11-27-13-5-15-29-23(31)17-7-9-19-22-20(10-8-18(21(17)22)24(29)32)26(34)30(25(19)33)16-6-14-28-12-4-2;/h1-2,7-10,27-28H,5-6,11-16H2;1H"	C#CCNCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCNCC#C)C1=O.Cl	FAYJXKLTAICLII-UHFFFAOYSA-N
DG68070	"2,7-Bis-(2-allylamino-ethyl)-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone dihydrochloride"	60148337	"NSC754154; NSC-754154; 2,7-Bis-(2-allylamino-ethyl)-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754154	.	.	.	.	468.9	C24H25ClN4O4	98.8	698	.	33	3	6	10	"InChI=1S/C24H24N4O4.ClH/c1-3-9-25-11-13-27-21(29)15-5-7-17-20-18(8-6-16(19(15)20)22(27)30)24(32)28(23(17)31)14-12-26-10-4-2;/h3-8,25-26H,1-2,9-14H2;1H"	C=CCNCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCNCC=C)C1=O.Cl	HAZXHZRPXCLZFZ-UHFFFAOYSA-N
DG68071	NSC754172	60148350	"7-[3-(4-Methylpiperazin-1-yl)propyl]-5-phenyl-10-thia-2,3,4,7,12-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),3,5,11(16),12,14-hexaen-8-one; CHEMBL2348307; NSC754172; NSC-754172"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754172	.	.	.	.	459.6	C24H25N7OS	98.6	698	3.3	33	0	7	5	"InChI=1S/C24H25N7OS/c1-28-13-15-29(16-14-28)11-6-12-30-23-19(17-7-3-2-4-8-17)26-27-31(23)20-18-9-5-10-25-22(18)33-21(20)24(30)32/h2-5,7-10H,6,11-16H2,1H3"	CN1CCN(CC1)CCCN2C3=C(N=NN3C4=C(C2=O)SC5=C4C=CC=N5)C6=CC=CC=C6	OUJOJRCSAYLTBO-UHFFFAOYSA-N
DG68072	NSC754173	60148351	"16-[3-(4-Methylpiperazin-1-yl)propyl]-14-phenyl-8-thia-6,11,12,13,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,12,14-hexaen-10-one; CHEMBL2402315; NSC754173; NSC-754173"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754173	.	.	.	.	459.6	C24H25N7OS	98.6	698	3.8	33	0	8	5	"InChI=1S/C24H25N7OS/c1-28-13-15-29(16-14-28)11-6-12-30-20-18-9-5-10-25-22(18)33-21(20)24(32)31-23(30)19(26-27-31)17-7-3-2-4-8-17/h2-5,7-10H,6,11-16H2,1H3"	CN1CCN(CC1)CCCN2C3=C(C(=O)N4C2=C(N=N4)C5=CC=CC=C5)SC6=C3C=CC=N6	VCHXEXBDVDSHGI-UHFFFAOYSA-N
DG68073	NSC754175	60148353	"N-[2-(1H-imidazol-5-yl)ethyl]-4-(10-oxo-14-phenyl-8-thia-6,11,12,13,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,12,14-hexaen-16-yl)butanamide; NSC754175; NSC-754175"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754175	.	.	.	.	498.6	C25H22N8O2S	150	798	3.3	36	2	8	8	"InChI=1S/C25H22N8O2S/c34-19(27-12-10-17-14-26-15-29-17)9-5-13-32-21-18-8-4-11-28-23(18)36-22(21)25(35)33-24(32)20(30-31-33)16-6-2-1-3-7-16/h1-4,6-8,11,14-15H,5,9-10,12-13H2,(H,26,29)(H,27,34)"	C1=CC=C(C=C1)C2=C3N(C4=C(C(=O)N3N=N2)SC5=C4C=CC=N5)CCCC(=O)NCCC6=CN=CN6	MAQOACLTLXOGNA-UHFFFAOYSA-N
DG68074	9-Deoxy-sibiromycin	60148374	9-deoxy-sibiromycin; NSC754310; NSC-754310	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754310	.	.	.	.	441.5	C24H31N3O5	104	814	0.8	32	3	7	4	"InChI=1S/C24H31N3O5/c1-6-7-15-9-16-11-26-18-8-13(2)19(10-17(18)22(29)27(16)12-15)32-23-21(28)24(4,30)20(25-5)14(3)31-23/h6-8,10-12,14,16,20-21,23,25,28,30H,9H2,1-5H3/b7-6+/t14 ,16-,20 ,21 ,23 ,24 /m0/s1"	C/C=C/C1=CN2[C@@H](C1)C=NC3=C(C2=O)C=C(C(=C3)C)OC4C(C(C(C(O4)C)NC)(C)O)O	FLYYWBJOHHJDAU-USXWEJKASA-N
DG68075	Pharmakon1600-01500206	60148381	Pharmakon1600-01500206; NSC756688	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756688	.	.	.	.	1648.9	C57H108N16NaO28S5+	735	3480	.	107	23	33	43	"InChI=1S/C57H108N16O28S5.Na/c1-9-33(5)44-55(84)68-38(16-22-59-28-103(90,91)92)48(77)66-41(19-25-62-31-106(99,100)101)53(82)72-46(35(7)74)54(83)63-26-20-42(50(79)65-40(18-24-61-30-105(96,97)98)52(81)70-45(34(6)10-2)56(85)71-44)67-49(78)39(17-23-60-29-104(93,94)95)69-57(86)47(36(8)75)73-51(80)37(15-21-58-27-102(87,88)89)64-43(76)14-12-11-13-32(3)4;/h32-42,44-47,58-62,74-75H,9-31H2,1-8H3,(H,63,83)(H,64,76)(H,65,79)(H,66,77)(H,67,78)(H,68,84)(H,69,86)(H,70,81)(H,71,85)(H,72,82)(H,73,80)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101);/q;+1"	CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)N1)CCNCS(=O)(=O)O)NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCNCS(=O)(=O)O)NC(=O)CCCCC(C)C)C(C)O)CCNCS(=O)(=O)O)CCNCS(=O)(=O)O)C(C)CC.[Na+]	MUDJBFFXEJLFAX-UHFFFAOYSA-N
DG68076	Pharmakon1600-01500272	60148385	NSC-756754; Pharmakon1600-01500272; NSC756754	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756754	.	.	.	.	517.1	C29H41ClN2O4	52.2	679	.	36	2	6	7	"InChI=1S/C29H40N2O4.ClH/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;1H/t18-,21-,24 ,25 ;/m0./s1"	CC[C@H]1CN2CCC3=CC(=C(C=C3C2C[C@@H]1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl	HUEYSSLYFJVUIS-PBMRNQEBSA-N
DG68077	Pharmakon1600-01501105	60148403	Pharmakon1600-01501105; NSC757836; NSC-757836	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757836	.	.	.	.	508	C22H30ClN7O5	161	680	.	35	5	10	8	"InChI=1S/C22H29N7O5.ClH/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12;/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32);1H/t14-,15+,16+,18+,22 ;/m0./s1"	CN(C)C1=NC=NC2=C1N=CN2C3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CC4=CC=C(C=C4)OC)N)O.Cl	MXJUOYXSYWPMAR-VWLXJURHSA-N
DG68078	Pharmakon1600-01502258	60148410	SR-05000002136; Pharmakon1600-01502258; NSC758183; NSC-758183; SR-05000002136-1; SR-05000002136-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758183	.	.	.	.	691.9	C37H64NaO10+	133	1110	.	48	3	10	10	"InChI=1S/C37H64O10.Na/c1-11-35(32-21(4)18-27(43-32)29-20(3)17-22(5)37(41,12-2)46-29)14-13-28(44-35)34(9)15-16-36(47-34)19-26(38)23(6)31(45-36)24(7)30(42-10)25(8)33(39)40;/h20-32,38,41H,11-19H2,1-10H3,(H,39,40);/q;+1/t20-,21-,22+,23+,24+,25-,26-,27+,28+,29 ,30+,31-,32 ,34-,35-,36 ,37-;/m0./s1"	CC[C@]1(CC[C@@H](O1)[C@@]2(CCC3(O2)C[C@@H]([C@H]([C@H](O3)[C@H](C)[C@H]([C@H](C)C(=O)O)OC)C)O)C)C4[C@H](C[C@@H](O4)C5[C@H](C[C@H]([C@@](O5)(CC)O)C)C)C.[Na+]	GYPNBQUSNIBSGD-DUDHYVAZSA-N
DG68079	Pharmakon1600-01503602	60148415	"SALINOMYCIN, SODIUM; Pharmakon1600-01503602; NSC758465; NSC-758465"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758465	.	.	.	.	774	C42H70NaO11+	161	1320	.	54	4	11	12	"InChI=1S/C42H70O11.Na/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33;/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47);/q;+1/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41 ,42-;/m0./s1"	CC[C@H]([C@H]1CC[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H](C3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)O)C)C)O)C)C(=O)O.[Na+]	YPZYGIQXBGHDBH-WKWCOTLASA-N
DG68080	Pharmakon1600-01503692	60148416	Pharmakon1600-01503692; NSC758612; NSC-758612	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758612	.	.	.	.	1517.7	C58H92N20O22S3	770	2760	.	103	21	33	37	"InChI=1S/C58H90N20O18S2.H2O4S/c1-8-33-22(2)23(3)43(94-55-42(84)45(96-58(65)91)41(83)34(18-79)93-55)56(92-33)95-44(30-17-66-21-71-30)39(77-52(89)37-24(4)46(61)78-48(75-37)29(15-35(60)81)70-16-28(59)47(62)85)53(90)72-26(6)40(82)25(5)49(86)76-38(27(7)80)51(88)68-14-11-36-73-32(20-97-36)54-74-31(19-98-54)50(87)67-12-9-10-13-69-57(63)64;1-5(2,3)4/h17,19-23,25-29,33-34,38-45,55-56,70,79-80,82-84H,8-16,18,59H2,1-7H3,(H2,60,81)(H2,62,85)(H2,65,91)(H,66,71)(H,67,87)(H,68,88)(H,72,90)(H,76,86)(H,77,89)(H2,61,75,78)(H4,63,64,69);(H2,1,2,3,4)/t22-,23+,25-,26+,27+,28+,29-,33-,34+,38+,39-,40+,41-,42-,43+,44-,45-,55-,56+;/m0./s1"	CC[C@H]1[C@H]([C@H]([C@H]([C@H](O1)O[C@@H](C2=CN=CN2)[C@@H](C(=O)N[C@H](C)[C@@H]([C@H](C)C(=O)N[C@H]([C@@H](C)O)C(=O)NCCC3=NC(=CS3)C4=NC(=CS4)C(=O)NCCCCN=C(N)N)O)NC(=O)C5=C(C(=NC(=N5)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)N)C)O[C@H]6[C@H]([C@H]([C@H]([C@H](O6)CO)O)OC(=O)N)O)C)C.OS(=O)(=O)O	GKQKYQZCIGDDAI-UTDMUDCQSA-N
DG68081	Pharmakon1600-01503722	60148418	Pharmakon1600-01503722; NSC758617; SR-05000002072; SR-05000002072-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758617	.	.	.	.	583.7	C33H34CaFNO5+2	99.8	803	.	41	3	6	12	"InChI=1S/C33H34FNO5.Ca/c1-21(2)31-30(33(40)24-11-7-4-8-12-24)29(22-9-5-3-6-10-22)32(23-13-15-25(34)16-14-23)35(31)18-17-26(36)19-27(37)20-28(38)39;/h3-16,21,26-27,36-37H,17-20H2,1-2H3,(H,38,39);/q;+2/t26-,27-;/m1./s1"	CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)C4=CC=CC=C4.[Ca+2]	WOKULUNCKCOMPU-CNZCJKERSA-N
DG68082	Pharmakon1600-01504008	60148419	Pharmakon1600-01504008; NSC758664; NSC-758664	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758664	.	.	.	.	914.2	C51H79NO13	195	1760	6	65	3	13	6	"InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17 ,35-25 "	CC1CCC2CC(C(=C/C=C/C=C/C(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC	QFJCIRLUMZQUOT-NUGANYOESA-N
DG68083	Pharmakon1600-01502269	60148441	NSC-759857; SCHEMBL17560676; Pharmakon1600-01502269; NSC759857	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759857	.	.	.	.	303.68	C10H11ClFN5O3	119	370	0.9	20	3	8	2	"InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9 /m1/s1"	C1=NC2=C(N=C(N=C2N1C3[C@H]([C@@H]([C@H](O3)CO)O)F)Cl)N	WDDPHFBMKLOVOX-VPRFCXCPSA-N
DG68084	"US9029401, 2278 (t-CUPM)"	60150671	"CHEMBL2397137; CHEMBL2397141; US9029401, 2278 (t-CUPM); CHEMBL3928540; SCHEMBL15611980; SCHEMBL15611981; SCHEMBL15612383; SCHEMBL15624870; BDBM158488; BDBM158493; BDBM50436433; BDBM50436443; NSC762901; NSC-762901; US9029401, 2319 (c-CUPM)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762901	.	.	.	.	470.9	C21H22ClF3N4O3	92.4	646	4	32	3	7	5	"InChI=1S/C21H22ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h4,7-12,14H,2-3,5-6H2,1H3,(H,26,30)(H2,28,29,31)"	CNC(=O)C1=NC=CC(=C1)OC2CCC(CC2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	VZOUKWZMPPMODY-UHFFFAOYSA-N
DG68085	"4-[(3,5-Dichloro-4-Methoxyphenyl)amino]-6-Methoxy-7-[3-(4-Methylpiperazin-1-Yl)propoxy]quinoline-3-Carbonitrile"	60202320	"CHEMBL4067978; PF-06651481-00; 4-[(3,5-Dichloro-4-Methoxyphenyl)amino]-6-Methoxy-7-[3-(4-Methylpiperazin-1-Yl)propoxy]quinoline-3-Carbonitrile; Bosutinib Isomer; Bosutinib Isomer I; 4-((3,5-Dichloro-4-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile; XZN; BOSUTINIB ISOFORM 1; SCHEMBL16706287; BDBM50240828; MFCD22418831; NSC755389; ZINC98209625; NSC-755389; PF0665148100; PF 06651481 00; J-007231; Q27467668; PF-06651481-00, >=98% (HPLC); 4-(3,5-dichloro-4-methoxyphenylamino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755389	.	.	.	.	530.4	C26H29Cl2N5O3	82.9	722	5.4	36	1	8	9	"InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-24-14-22-19(13-23(24)34-2)25(17(15-29)16-30-22)31-18-11-20(27)26(35-3)21(28)12-18/h11-14,16H,4-10H2,1-3H3,(H,30,31)"	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C(=C4)Cl)OC)Cl)C#N)OC	YCLIWTLPTXAGPQ-UHFFFAOYSA-N
DG68086	E-Norendoxifen	60202715	"E-Norendoxifen; 1394929-55-5; (E)-N,N-Didesmethyl-4-hydroxy Tamoxifen; UNII-UI9AT88BS7; UI9AT88BS7; CHEMBL2386285; 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol; E/Z-Norendoxifen; (E/Z)-N,N-Didesmethyl-4-hydroxy Tamoxifen; N-Desmethyl-endoxifen; SCHEMBL18284450; BDBM50435005; NSC775353; NSC778417; ZINC77291475; NSC-775353; NSC-778417; J3.522.161A; 4-((1E)-1-(4-(2-Aminoethoxy)phenyl)-2-phenyl-1-buten-1-yl)phenol; Phenol, 4-((1E)-1-(4-(2-aminoethoxy)phenyl)-2-phenyl-1-buten-1-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775353	.	.	.	.	359.5	C24H25NO2	55.5	453	5.8	27	2	3	7	"InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23+"	CC/C(=C(/C1=CC=C(C=C1)O)\\C2=CC=C(C=C2)OCCN)/C3=CC=CC=C3	YCQBLTPGQSYLHD-WCWDXBQESA-N
DG68088	NSC784817	66575373	"7-(5-((4-(4-(N,N-Dimethylsulfamoyl)piperazin-1-yl)phenoxy)methyl)-1,3-dimethyl-1H-pyrazol-4-yl)-1-(2-morpholinoethyl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid; 1668553-26-1; A-1210477; mc1 Inhibitor; 7-[5-[[4-[4-[(Dimethylamino)sulfonyl]-1-piperazinyl]phenoxy]methyl]-1,3-dimethyl-1H-pyrazol-4-yl]-1-[2-(4-morpholinyl)ethyl]-3-[3-(1-naphthalenyloxy)propyl]-1H-indole-2-carboxylic acid; 7-(5-((4-(4-(N,N-Dimethylsulfamoyl)piperazin-1-yl)phenoxy)methyl)-1,3-dimethyl-1H-pyrazol-4-yl)-1-(2-morpholinoethyl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid; CHEMBL3417704; A 1210477; 7-[5-[[4-[4-(dimethylsulfamoyl)piperazin-1-yl]phenoxy]methyl]-1,3-dimethylpyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid; SCHEMBL19741638; AOB5551; HMS3674M21; A1210477 HCl; BCP15988; EX-A1582; A 1210477 HCl; A-1210477 HCl; BDBM50078163; MFCD28399118; NSC784817; s7790; A-1210477(MC1 INHIBITOR; AKOS026750573; ZINC203551910; CCG-270529; CS-5143; NSC-784817; NCGC00387725-02; NCGC00387725-05; AC-32977; AS-75326; BA166475; HY-12468; A900600; A1210477; A- 1210477; A1210477;A 1210477; 7-[5-({4-[4-(dimethylsulfamoyl)piperazin-1-yl]phenoxy}methyl)-1,3-dimethyl-1H-pyrazol-4-yl]-1-[2-(morpholin-4-yl)ethyl]-3-[3-(naphthalen-1-yloxy)propyl]-1H-indole-2-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	784817	.	.	.	.	850	C46H55N7O7S	143	1500	3.6	61	1	12	16	"InChI=1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,9,15,21-32H2,1-4H3,(H,54,55)"	CC1=NN(C(=C1C2=CC=CC3=C2N(C(=C3CCCOC4=CC=CC5=CC=CC=C54)C(=O)O)CCN6CCOCC6)COC7=CC=C(C=C7)N8CCN(CC8)S(=O)(=O)N(C)C)C	XMVAWGSQPHFXKU-UHFFFAOYSA-N
DG68089	CID 66580799	66580799	"MSC2360844; 1305267-37-1; SCHEMBL12849; IOA244; CHEMBL3683575; IOA-244; BDBM169989; NSC827886; NSC-827886; HY-135827; CS-0114316; US9073940, 339; [6-fluoro-1-[4-(morpholin-4-ylmethyl)phenyl]-5,5-dioxo-4H-thiochromeno[4,3-c]pyrazol-3-yl]-morpholin-4-ylmethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	827886	.	.	.	.	526.6	C26H27FN4O5S	102	914	1.3	37	0	8	4	"InChI=1S/C26H27FN4O5S/c27-22-3-1-2-20-24-21(17-37(33,34)25(20)22)23(26(32)30-10-14-36-15-11-30)28-31(24)19-6-4-18(5-7-19)16-29-8-12-35-13-9-29/h1-7H,8-17H2"	C1COCCN1CC2=CC=C(C=C2)N3C4=C(CS(=O)(=O)C5=C4C=CC=C5F)C(=N3)C(=O)N6CCOCC6	NFHSJYKXENYICE-UHFFFAOYSA-N
DG68090	"2-((1r,4r)-4-((3-(3-(Trifluoromethyl)phenyl)imidazo[1,2-b]pyridazin-6-yl)amino)cyclohexyl)propan-2-ol"	66598080	"TP-3654; 1361951-15-6; TP3654; UNII-EOB0N7BOY4; EOB0N7BOY4; 2-((1r,4r)-4-((3-(3-(trifluoromethyl)phenyl)imidazo[1,2-b]pyridazin-6-yl)amino)cyclohexyl)propan-2-ol; SGI-9481; 2-(4-((3-(3-(Trifluoromethyl)phenyl)imidazo(1,2-b)pyridazin-6-yl)amino)cyclohexyl)propan-2-ol; 2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol; SCHEMBL102560; CHEMBL3975308; SCHEMBL19986953; SCHEMBL20794171; SCHEMBL22421478; BDBM242374; BCP30070; EX-A1828; NSC805149; AKOS032960444; CS-6293; NSC-805149; SB17245; TP 3654; TP3654; TP 3654; BS-15262; HY-101126; S6774; C72454; A857573; US9416132, 8-31; 4-((3-(3-(Trifluoromethyl)phenyl)imidazo(1,2-b)pyridazin-6-yl)amino) -trans-cyclohexyl)propan-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805149	.	.	.	.	418.5	C22H25F3N4O	62.4	579	4.6	30	2	7	4	"InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-20-26-13-18(29(20)28-19)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)"	CC(C)(C1CCC(CC1)NC2=NN3C(=NC=C3C4=CC(=CC=C4)C(F)(F)F)C=C2)O	XRNVABDYQLHODA-UHFFFAOYSA-N
DG68091	S-49076 analog (derivative)	66636377	SCHEMBL260188; S-49076 analog (derivative); NSC765672; NSC-765672; 1266319-57-6	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765672	.	.	.	.	408.4	C22H24N4O4	86.9	693	0.7	30	2	5	5	"InChI=1S/C22H24N4O4/c27-21-19(11-17-9-16(12-23-17)13-25-3-6-29-7-4-25)18-10-15(1-2-20(18)24-21)14-26-5-8-30-22(26)28/h1-2,9-12,23H,3-8,13-14H2,(H,24,27)/b19-11-"	C1COCCN1CC2=CNC(=C2)/C=C\\3/C4=C(C=CC(=C4)CN5CCOC5=O)NC3=O	AEKWTDDJNINWDU-ODLFYWEKSA-N
DG68092	"Urea, N-(4-(2,3-dihydro-7-(5-methyl-1H-imidazol-2-yl)-1-oxo-1H-isoindol-4-yl)-3-fluorophenyl)-N'-(3-(trifluoromethyl)phenyl)-"	66981446	"CG-806; 1370466-81-1; UNII-7W3FGR71NN; 7W3FGR71NN; 1-(3-fluoro-4-(7-(4-methyl-1H-imidazol-2-yl)-1-oxoisoindolin-4-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea; Urea, N-(4-(2,3-dihydro-7-(5-methyl-1H-imidazol-2-yl)-1-oxo-1H-isoindol-4-yl)-3-fluorophenyl)-N'-(3-(trifluoromethyl)phenyl)-; SCHEMBL1292507; EX-A2932; NSC810717; CG'806; CG-806; NSC-810717; HY-112646; CS-0058852; 1-(3-Fluoro-4-(7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydro-1H-isoindo-1-4-yl)-phenyl)-3-(3-trifluoromethyl-phenyl)urea; 1-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	810717	.	.	.	.	509.5	C26H19F4N5O2	98.9	844	4.1	37	4	7	4	"InChI=1S/C26H19F4N5O2/c1-13-11-31-23(33-13)19-8-7-17(20-12-32-24(36)22(19)20)18-6-5-16(10-21(18)27)35-25(37)34-15-4-2-3-14(9-15)26(28,29)30/h2-11H,12H2,1H3,(H,31,33)(H,32,36)(H2,34,35,37)"	CC1=CN=C(N1)C2=C3C(=C(C=C2)C4=C(C=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F)F)CNC3=O	BOLRZWTVMUHQQU-UHFFFAOYSA-N
DG68093	"[2-(1H-indol-6-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone"	67120426	SCHEMBL1683679; CHEMBL4530505; NSC789793; NSC-789793	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789793	.	.	.	.	377.4	C21H19N3O4	89.2	534	3.4	28	2	5	6	"InChI=1S/C21H19N3O4/c1-26-17-9-14(10-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)13-5-4-12-6-7-22-15(12)8-13/h4-11,22H,1-3H3,(H,23,24)"	COC1=CC(=CC(=C1OC)OC)C(=O)C2=CN=C(N2)C3=CC4=C(C=C3)C=CN4	ZWYWKMGQZNGTAQ-UHFFFAOYSA-N
DG68094	Darolutamide	67171867	"Darolutamide; ODM-201; 1297538-32-9; BAY-1841788; Nubeqa; BAY1841788; BAY 1841788; ODM201; N-((S)-1-(3-(3-Chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)-5-(1-hydroxyethyl)-1H-pyrazole-3-carboxamide; ODM-201;BAY-1841788; N-((S)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)-propan-2-yl)-3-(1-hydroxyethyl)-1H-pyrazole-5-carboxamide; UNII-X05U0N2RCO; X05U0N2RCO; 1H-Pyrazole-3-carboxamide, N-((1S)-2-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)-1-methylethyl)-5-(1-hydroxyethyl)-; 1H-Pyrazole-3-carboxamide, N-[(1S)-2-[3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl]-1-methylethyl]-5-(1-hydroxyethyl)-; Nebeqa (TN); Darolutamide [USAN]; ODM-201(Darolutamide); Darolutamide (ODM-201); Darolutamide (JAN/USAN/INN); SCHEMBL1814935; CHEMBL4297185; SCHEMBL13733117; GTPL10439; EX-A759; BDBM309979; example 56 [US9657003]; N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(1-hydroxyethyl)-1H-pyrazole-3-carboxamide; BDBM50556205; MFCD29472270; NSC825331; AKOS030526387; CCG-268640; CS-5174; DB12941; NSC-825331; NCGC00484078-01; AC-32628; AS-75032; BAY-1841788); HY-16985; S7559; J3.501.129C; D11045; US9657003, 56; A888821; J-690121; Q25091391; 1-[(2S)-2-Butanyl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-3-methyl-6-[6-(1-piperazinyl)-3-pyridinyl]-1H-indole-4-car boxamide; N-((2S)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)-5-((1RS)-1-hydroxyethyl)-1H-pyrazole-3-carboxamide; N-((S)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol -1-yl)propan-2-yl)-3-(1-hydroxyethyl)-1H-pyrazole-5-carboxamide; N-((S)-1-(3-(3-Chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)-5-(1-hydroxy-ethyl)-1H-pyrazole-3-carboxamide; N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl]propan-2-yl]-5-(1-hydroxyethyl)-1H-pyrazole-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	825331	.	.	.	.	398.8	C19H19ClN6O2	120	598	1.8	28	3	5	6	"InChI=1S/C19H19ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-,12 /m0/s1"	C[C@@H](CN1C=CC(=N1)C2=CC(=C(C=C2)C#N)Cl)NC(=O)C3=NNC(=C3)C(C)O	BLIJXOOIHRSQRB-PXYINDEMSA-N
DG68095	Iberdomide	67335295	"Iberdomide; cc-220; 1323403-33-3; (S)-3-(4-((4-(Morpholinomethyl)benzyl)oxy)-1-oxoisoindolin-2-yl)piperidine-2,6-dione; UNII-8V66F27X44; CC220; 8V66F27X44; (3s)-3-[4-({4-[(Morpholin-4-Yl)methyl]phenyl}methoxy)-1-Oxo-1,3-Dihydro-2h-Isoindol-2-Yl]piperidine-2,6-Dione; (3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione; 8W7; Iberdomide [USAN]; Iberdomide(CC220); Iberdomide (USAN/INN); CC-220 (Compound 6); IBERDOMIDE(CC-220); GTPL9618; SCHEMBL2252414; CC 220;CC-220;Iberdomide; CHEMBL3989927; BDBM65497; BCP20299; EX-A1425; NSC833899; s8760; ZINC118417658; compound 6 [PMID: 28425720]; CS-6511; DB12101; NSC-833899; (S)-3-[4-(4-Morpholin-4-yl-methyl-benzyloxy)-1-oxo-1,3-dihydro-isoindol-2-yl]-piperidine-2,6-dione; AC-32713; HY-101291; C72310; D11134; A903376; Q27271066; 2,6-Piperidinedione, 3-(1,3-dihydro-4-((4-(4-morpholinylmethyl)phenyl)methoxy)-1-oxo-2H-isoindol-2-yl)-, (3S)-; CC220;(S)-3-(4-((4-(morpholinomethyl)benzyl)oxy)-1-oxoisoindolin-2-yl)piperidine-2,6-dione;CC-220"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	833899	.	.	.	.	449.5	C25H27N3O5	88.2	732	1.1	33	1	6	6	"InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1"	C1CC(=O)NC(=O)[C@H]1N2CC3=C(C2=O)C=CC=C3OCC4=CC=C(C=C4)CN5CCOCC5	IXZOHGPZAQLIBH-NRFANRHFSA-N
DG68096	"4-[4-(1-Benzofuran-5-Yl)phenyl]-5-{[(3s)-1-(Cyclopropylcarbonyl)pyrrolidin-3-Yl]methyl}-2,4-Dihydro-3h-1,2,4-Triazol-3-One"	67376285	"GSK2194069; 1332331-08-4; GSK-2194069; GSK 2194069; (S)-4-(4-(Benzofuran-5-yl)phenyl)-3-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)methyl)-1H-1,2,4-triazol-5(4H)-one; 4-[4-(1-Benzofuran-5-Yl)phenyl]-5-{[(3s)-1-(Cyclopropylcarbonyl)pyrrolidin-3-Yl]methyl}-2,4-Dihydro-3h-1,2,4-Triazol-3-One; 4-[4-(5-Benzofuranyl)phenyl]-5-[[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one; 3H-1,2,4-Triazol-3-one, 4-[4-(5-benzofuranyl)phenyl]-5-[[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl]-2,4-dihydro-; 4-[4-(1-benzofuran-5-yl)phenyl]-3-[[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one; GTPL8605; SCHEMBL2356163; CHEMBL3646801; BDBM119133; 2976AH; NSC792955; ZINC98208332; AKOS025147345; CS-3324; NSC-792955; NCGC00387475-02; NCGC00387475-03; NCGC00387475-04; HY-12325; GSK2194069 (2); B8005; US8802864, 1; GSK 2194069;GSK-2194069; GSK2194069, >=97% (HPLC); Q27453339; (S)-4-(4-(benzofuran-5-yl)phenyl)-5-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one; 2W4; 4-[4-(1-benzofuran-5-yl)phenyl]-5-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	792955	.	.	.	.	428.5	C25H24N4O3	78.2	773	3.2	32	1	4	5	"InChI=1S/C25H24N4O3/c30-24(18-1-2-18)28-11-9-16(15-28)13-23-26-27-25(31)29(23)21-6-3-17(4-7-21)19-5-8-22-20(14-19)10-12-32-22/h3-8,10,12,14,16,18H,1-2,9,11,13,15H2,(H,27,31)/t16-/m0/s1"	C1CN(C[C@@H]1CC2=NNC(=O)N2C3=CC=C(C=C3)C4=CC5=C(C=C4)OC=C5)C(=O)C6CC6	AQTPWCUIYUOEMG-INIZCTEOSA-N
DG68097	NSC781016	67377767	"1-cyclopropyl-4-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-1-yl]methyl]-2-pyridinyl]-piperazine; BAY 87-2243; 1227158-85-1; BAY87-2243; UNII-5XQ7LE6DZG; 5XQ7LE6DZG; bay-87-2243; 1-cyclopropyl-4-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-1-yl]methyl]-2-pyridinyl]-piperazine; 5-(1-((2-(4-Cyclopropylpiperazin-1-yl)pyridin-4-yl)methyl)-5-methyl-1H-pyrazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole; 5-[1-[[2-(4-cyclopropylpiperazin-1-yl)pyridin-4-yl]methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole; 1-Cyclopropyl-4-(4-((5-methyl-3-(3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl)methyl)-2-pyridinyl)piperazine; 1-Cyclopropyl-4-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-1-yl]methyl]-2-pyridinyl]piperazine; SCHEMBL2359661; CHEMBL4303384; AOB5910; C26H26F3N7O2; BCP09519; EX-A2031; 2255AH; NSC781016; NSC795507; s7309; ZINC68206550; AKOS026750511; BAY-872243; CCG-269886; NSC-781016; NSC-795507; NCGC00378636-03; AC-33661; BS-15014; HY-15836; C71860; BAY 872243; BAY872243; BAY-872243; 1-Cyclopropyl-4-{4-[(5-methyl-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-pyrazol-1-yl)methyl]pyridin-2-yl}piperazine; Piperazine, 1-cyclopropyl-4-(4-((5-methyl-3-(3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl)methyl)-2-pyridinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781016	.	.	.	.	525.5	C26H26F3N7O2	85.3	774	4.7	38	0	11	7	"InChI=1S/C26H26F3N7O2/c1-17-14-22(25-31-24(33-38-25)19-2-6-21(7-3-19)37-26(27,28)29)32-36(17)16-18-8-9-30-23(15-18)35-12-10-34(11-13-35)20-4-5-20/h2-3,6-9,14-15,20H,4-5,10-13,16H2,1H3"	CC1=CC(=NN1CC2=CC(=NC=C2)N3CCN(CC3)C4CC4)C5=NC(=NO5)C6=CC=C(C=C6)OC(F)(F)F	CDJNNOJINJAXPV-UHFFFAOYSA-N
DG68098	"(R)-9-(4-(1-(dimethylamino)propan-2-yl)phenyl)-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one"	67448186	"(R)-9-(4-(1-(dimethylamino)propan-2-yl)phenyl)-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one; OTS-964; 1338545-07-5; GTPL7813; SCHEMBL2548561; CHEMBL3672369; NSC787880; NSC791663; ZINC149881647; NSC-787880; NSC-791663; NCGC00484799-01; HY-19718; CS-0016453; A14331; Q27088219; 9-{4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl}-8-hydroxy-6-methyl-4H,5H-thieno[2,3-c]quinolin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787880	.	.	.	.	392.5	C23H24N2O2S	80.8	563	4.7	28	2	4	4	"InChI=1S/C23H24N2O2S/c1-13-11-18(26)19(16-7-5-15(6-8-16)14(2)12-25(3)4)20-17-9-10-28-22(17)23(27)24-21(13)20/h5-11,14,26H,12H2,1-4H3,(H,24,27)/t14-/m0/s1"	CC1=CC(=C(C2=C1NC(=O)C3=C2C=CS3)C4=CC=C(C=C4)[C@@H](C)CN(C)C)O	XCFRUAOZMVFDPQ-AWEZNQCLSA-N
DG68100	"Benzamide, 3-ethyl-4-[3-(1-methylethyl)-4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-1H-pyrazolo[3,4-b]pyridin-1-yl]-"	67501411	"TAS-116; 1260533-36-5; Pimitespib; UNII-PLO044MUDZ; PLO044MUDZ; Benzamide, 3-ethyl-4-[3-(1-methylethyl)-4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-1H-pyrazolo[3,4-b]pyridin-1-yl]-; 3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide; 3-ethyl-4-(3-isopropyl-4-(4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)benzamide; Benzamide, 3-ethyl-4-(3-(1-methylethyl)-4-(4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)-1H-pyrazolo(3,4-b)pyridin-1-yl)-; Tas 116; SCHEMBL2694525; CHEMBL3661115; TAS116 pound>>TAS 116; BDBM126083; BCP25132; EX-A2703; NSC780204; s7716; ZINC169703510; DB14876; NSC-780204; SB17223; NCGC00475742-01; HY-15785; CS-0009135; A937111; US8779142, 102; 3-Ethyl-4-(3-(1-methylethyl)-4-(4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)-1H-pyrazolo(3,4-b)pyridin-1-yl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780204	.	.	.	.	454.5	C25H26N8O	109	721	3.1	34	1	5	6	"InChI=1S/C25H26N8O/c1-5-16-10-17(24(26)34)6-7-20(16)33-25-22(23(30-33)15(2)3)21(8-9-27-25)32-13-19(28-14-32)18-11-29-31(4)12-18/h6-15H,5H2,1-4H3,(H2,26,34)"	CCC1=C(C=CC(=C1)C(=O)N)N2C3=NC=CC(=C3C(=N2)C(C)C)N4C=C(N=C4)C5=CN(N=C5)C	NVVPMZUGELHVMH-UHFFFAOYSA-N
DG68101	Derazantinib Racemate	67541698	"Derazantinib Racemate; Derazantinib (Racemate); (6R)-6-(2-fluorophenyl)-N-[3-[2-(2-methoxyethylamino)ethyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine; 2309668-44-6; 6-(2-fluorophenyl)-N-[3-[2-(2-methoxyethylamino)ethyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine; ARQ-087 Racemate; ARQ-087_Peak 1; ARQ-087_Peak 2; SCHEMBL17557957; HY-19981A; NSC792996; NSC792997; CS-7923; NSC-792996; NSC-792997; SB40402; A903432; 6-(2-fluorophenyl)-N-(3-(2-((2-methoxyethyl)amino)ethyl)phenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine; ARQ 087; ARQ087; AR-Q087;(6R)-6-(2-fluorophenyl)-N-(3-{2-[(2-methoxyethyl)amino]ethyl}phenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	792996	.	.	.	.	468.6	C29H29FN4O	59.1	638	5.3	35	2	6	9	"InChI=1S/C29H29FN4O/c1-35-16-15-31-14-13-20-7-6-8-22(17-20)33-29-32-19-21-18-26(24-10-4-5-12-27(24)30)23-9-2-3-11-25(23)28(21)34-29/h2-12,17,19,26,31H,13-16,18H2,1H3,(H,32,33,34)"	COCCNCCC1=CC(=CC=C1)NC2=NC=C3CC(C4=CC=CC=C4C3=N2)C5=CC=CC=C5F	KPJDVVCDVBFRMU-UHFFFAOYSA-N
DG68102	NSC794947	67818301	"(4S,4aS,5aR,12aR)-7-chloro-8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide; SCHEMBL9288184; NSC794947; NSC-794947; 1254342-92-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794947	.	.	.	.	594.1	C31H32ClN3O7	165	1230	3.2	42	5	9	4	"InChI=1S/C31H32ClN3O7/c1-34(2)25-19-10-16-9-18-22(26(37)21(16)28(39)31(19,42)29(40)23(27(25)38)30(33)41)20(36)11-17(24(18)32)13-35-8-7-14-5-3-4-6-15(14)12-35/h3-6,11,16,19,25,36-37,40,42H,7-10,12-13H2,1-2H3,(H2,33,41)/t16-,19-,25-,31-/m0/s1"	CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C(=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)CN5CCC6=CC=CC=C6C5)Cl	WKGBVEDAADHWIU-QAEYPGILSA-N
DG68105	"5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine"	68165315	CHEMBL3823549; SCHEMBL11916436; BDBM50185284; NSC761191; NSC-761191; 1197958-36-3	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761191	.	.	.	.	530	C26H33ClN5O3P	88.6	709	5	36	2	8	11	"InChI=1S/C26H33ClN5O3P/c1-34-23-17-19(35-16-8-15-32-13-6-7-14-32)11-12-21(23)30-26-28-18-20(27)25(31-26)29-22-9-4-5-10-24(22)36(2,3)33/h4-5,9-12,17-18H,6-8,13-16H2,1-3H3,(H2,28,29,30,31)"	COC1=C(C=CC(=C1)OCCCN2CCCC2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl	RQDNRYSBNFWQCV-UHFFFAOYSA-N
DG68106	"N-{4-[(3,5-Difluorophenyl)sulfonyl]benzyl}imidazo[1,2-A]pyridine-6-Carboxamide"	68277611	"GNE-617; 1362154-70-8; GNE 617; CHEMBL2420629; N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide; N-{4-[(3,5-Difluorophenyl)sulfonyl]benzyl}imidazo[1,2-A]pyridine-6-Carboxamide; N-(4-((3,5-difluorophenyl)sulfonyl)benzyl)imidazo[1,2-a]pyridine-6-carboxamide; N-[4-[(3,5-Difluorophenyl)sulfonyl]benzyl]imidazo[1,2-a]pyridine-6-carboxamide; GNE617; SCHEMBL12468183; GNE617;GNE 617; 4o28; BCP20092; EX-A2304; BDBM50438936; NSC779407; s6629; ZINC95920765; CS-1695; NSC-779407; NCGC00378624-01; BS-15263; HY-15766; C72455; A911828; Q27452357; N-[[4-[(3,5-Difluorophenyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide; N-{[4-(3,5-difluorobenzenesulfonyl)phenyl]methyl}imidazo[1,2-a]pyridine-6-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	779407	.	.	.	.	427.4	C21H15F2N3O3S	88.9	699	3.5	30	1	6	5	"InChI=1S/C21H15F2N3O3S/c22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h1-11,13H,12H2,(H,25,27)"	C1=CC(=CC=C1CNC(=O)C2=CN3C=CN=C3C=C2)S(=O)(=O)C4=CC(=CC(=C4)F)F	XRDVXQQZLHVEQZ-UHFFFAOYSA-N
DG68107	NSC782074	68308034	"21-[2-(Dimethylamino)ethyl]-17-hydroxy-16-methoxy-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one; SCHEMBL12522967; NSC782074; NSC-782074"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782074	.	.	.	.	407.4	C22H21N3O5	84.4	648	2.4	30	1	7	4	"InChI=1S/C22H21N3O5/c1-24(2)4-5-25-21-14-8-19-20(30-11-29-19)9-16(14)23-10-15(21)12-7-18(28-3)17(26)6-13(12)22(25)27/h6-10,26H,4-5,11H2,1-3H3"	CN(C)CCN1C2=C(C=NC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)O)OC	SGRBAVOESVMEMX-UHFFFAOYSA-N
DG68108	(S)-N-(1-(7-fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine	68947304	"AMG319; AMG-319; 1608125-21-8; UNII-19DG7G1U5Q; (S)-N-(1-(7-fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine; 19DG7G1U5Q; AMG 319; N-[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine; N-{(1s)-1-[7-Fluoro-2-(Pyridin-2-Yl)quinolin-3-Yl]ethyl}-9h-Purin-6-Amine; ACP319; 4wwn; ACP-319; J3.391.906I; GTPL8917; SCHEMBL4185718; CHEMBL4303596; EX-A1028; MFCD28902228; NSC787137; s7813; AKOS025404931; N-((1S)-1-(7-Fluoro-2-(2-pyridyl)quinoline-3-yl)ethyl)-9H-purine-6-amine; ZINC146560539; CCG-268471; CS-5266; NSC-787137; 3-Quinolinemethanamine, 7-fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-, (alphaS)-; NCGC00481653-02; AS-35220; HY-12948; Q27074435; 3-Quinolinemethanamine, 7-fluoro-a-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-, (aS)-; 3VC"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787137	.	.	.	.	385.4	C21H16FN7	92.3	551	3.3	29	2	7	4	"InChI=1S/C21H16FN7/c1-12(28-21-19-20(25-10-24-19)26-11-27-21)15-8-13-5-6-14(22)9-17(13)29-18(15)16-4-2-3-7-23-16/h2-12H,1H3,(H2,24,25,26,27,28)/t12-/m0/s1"	C[C@@H](C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5	KWRYMZHCQIOOEB-LBPRGKRZSA-N
DG68109	N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide	68999822	SCHEMBL4315173; SCHEMBL4315179; NSC761931; NSC-761931	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761931	.	.	.	.	339.4	C22H17N3O	57.8	500	4.7	26	2	2	4	"InChI=1S/C22H17N3O/c26-22(17-9-2-1-3-10-17)23-19-12-6-4-8-16(19)14-15-21-18-11-5-7-13-20(18)24-25-21/h1-15H,(H,23,26)(H,24,25)/b15-14+"	C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2/C=C/C3=NNC4=CC=CC=C43	FYOCRMHCTFYOPQ-CCEZHUSRSA-N
DG68110	"[2-(1H-indol-4-yl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone"	69038102	"[2-(1H-indol-4-yl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone; SCHEMBL4423393; CHEMBL4591755; NSC789794; NSC-789794; G8K"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789794	.	.	.	.	377.4	C21H19N3O4	89.2	534	3.4	28	2	5	6	"InChI=1S/C21H19N3O4/c1-26-17-9-12(10-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)14-5-4-6-15-13(14)7-8-22-15/h4-11,22H,1-3H3,(H,23,24)"	COC1=CC(=CC(=C1OC)OC)C(=O)C2=CN=C(N2)C3=C4C=CNC4=CC=C3	WDMPGPZDSGODDF-UHFFFAOYSA-N
DG68111	"5-Amino-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene-8,9-dione"	70287067	SCHEMBL8143919; NSC795137; NSC-795137	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795137	.	.	.	.	263.25	C15H9N3O2	77.5	452	2.1	20	1	4	0	"InChI=1S/C15H9N3O2/c16-8-4-5-9-10(7-8)14(19)15(20)13-12(9)17-11-3-1-2-6-18(11)13/h1-7H,16H2"	C1=CC2=NC3=C(N2C=C1)C(=O)C(=O)C4=C3C=CC(=C4)N	BRUWZCBQFFTVMD-UHFFFAOYSA-N
DG68112	Serabelisib	70798655	"Serabelisib; 1268454-23-4; MLN1117; MLN-1117; INK-1117; INK1117; TAK-117; AGN-PC-0DB6FL; UNII-43J9Q56T3W; 43J9Q56T3W; (6-(2-aminobenzo[d]oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl)(morpholino)methanone; [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone; Methanone, [6-(2-aMino-5-benzoxazolyl)iMidazo[1,2-a]pyridin-3-yl]-4-Morpholinyl-; [6-(2-amino-5-benzoxazolyl)imidazo[1,2-a]pyridin-3-yl]-4-morpholinyl-methanone; 5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-1,3-benzoxazol-2-amine; Methanone, (6-(2-amino-5-benzoxazolyl)imidazo(1,2-a)pyridin-3-yl)-4-morpholinyl-; Serabelisib [INN]; GTPL8969; CHEMBL3935857; SCHEMBL12928418; BDBM119531; BCP09230; EX-A1112; INK 1117; MLN 1117; MLN1117; INK1117; MFCD15146372; NSC795384; s8581; AKOS030526373; MLN1117 (INK1117); ZINC146965425; CCG-268203; CS-5490; DB14935; NSC-795384; AC-33667; AS-73722; HY-12285; DB-084944; INK-1117,MLN-1117,TAK-117; MLN1117, INK1117, TAK-117; Serabelisib(TAK-117,INK1117,MLN1117); A15529; US9682141, 54; A908397; Serabelisib (INK-1117,MLN-1117,TAK-117); US9682141, 529; Q27078071; (6-(2-amino-1,3-benzoxazol-5-yl)imidazo(1,2-a)pyridin-3-yl)(4-morpholinyl)methanone; (6-(2-Amino-5-benzoxazolyl)imidazo(1,2-a)pyridin-3-yl)-4-morpholinylmethanone; Methanone,[6-(2-aMino-5-benzoxazolyl)iMidazo[1,2-a]pyridin-3-yl]-4-Morpholinyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795384	.	.	.	.	363.4	C19H17N5O3	98.9	558	2.3	27	1	6	2	"InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)"	C1COCCN1C(=O)C2=CN=C3N2C=C(C=C3)C4=CC5=C(C=C4)OC(=N5)N	BLGWHBSBBJNKJO-UHFFFAOYSA-N
DG68114	NSC755926	70852125	"1-{4-[4-Amino-6-(methoxymethyl)-7-(4-morpholinylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-fluorophenyl}-3-[2-fluoro-5-(trifluorome thyl)phenyl]urea; SCHEMBL13184912; NSC755926; ZINC38217835; NSC-755926; J-690366; 1-{4-[4-Amino-6-(methoxymethyl)-7-(4-morpholinylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-fluorophenyl}-3-[2-fluoro-5-(trifluorome thyl)phenyl]urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755926	.	.	.	.	489.6	C27H41F2N5O	71	685	4.8	35	3	6	11	"InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23+/m1/s1"	CCC[C@@H](C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C)N[C@@H]2CCC3=C(C2)C(=CC(=C3)F)F	VFCRKLWBYMDAED-OFNKIYASSA-N
DG68115	Acalabrutinib	71226662	"Acalabrutinib; 1420477-60-6; ACP-196; Calquence; Acalabrutinib (ACP-196); UNII-I42748ELQW; I42748ELQW; 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide; Benzamide, 4-(8-amino-3-((2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl)imidazo(1,5-a)pyrazin-1-yl)-N-2-pyridinyl-; Acalabrutinib(ACP196); Acalabrutinib [INN]; Acalabrutinib [USAN:INN]; acalabrutinibum; Calquence (TN); Benzamide, 4-[8-amino-3-[(2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl]-N-2-pyridinyl-; ACP-196;Acalabrutinib; GTPL8912; Acalabrutinib (JAN/USAN/INN); CHEMBL3707348; SCHEMBL14637368; ACP 196; AMY5290; EX-A881; CHEBI:167707; BDBM50175583; MFCD29472294; NSC791164; NSC800976; s8116; ZINC208774715; CCG-269407; CS-5356; DB11703; DS-3326; NSC-791164; NSC-800976; NCGC00479074-01; HY-17600; Example 6 [US20140155385 A1]; D10893; A857446; J-690166; Q23668732; (S)-4-(8-amino-3-(1-(but-2-ynoyl)pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide; (S)-4-(8-amino-3-(1-(but-2-ynoyl)pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide;Acalabrutinib; (S)-4-(8-amino-3-(1-but-2-ynoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide; 4-[8-amino-3-[(2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl]-N-2-pyridinyl-Benzamide; 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(2-pyridyl)benzamide; 4-{8-amino-3-[(2S)-1-(but-2-ynoyl)pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl}-N-(pyridin-2-yl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791164	.	.	.	.	465.5	C26H23N7O2	119	845	3	35	2	6	4	"InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1"	CC#CC(=O)N1CCC[C@H]1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=N5	WDENQIQQYWYTPO-IBGZPJMESA-N
DG68116	Selonsertib	71245288	"Selonsertib; 1448428-04-3; GS-4997; UNII-NS3988A2TC; 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-4-methylbenzamide; Selonsertib(GS-4997); 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]benzamide; GS 4997; NS3988A2TC; 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide; GS-4997; GS4997; GS 4997; Selonsertib free base ;5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-4-methylbenzamide; Selonsertib [INN]; NJV; SelonsertibGS-4997; GS-4997; Selonsertib; Selonsertib [USAN:INN]; Selonsertib; GS-4997; Selonsertib (GS-4997); Selonsertib (JAN/USAN/INN); C24H24FN7O; GTPL9040; CHEMBL3916717; SCHEMBL14672984; AMY27913; BCP17814; EX-A1150; EX-A1618; BDBM50212258; GS4997; MFCD29920355; NSC797772; s8292; AKOS027338646; ZINC149387856; ACN-041439; CCG-269184; CS-5328; DB14916; NSC-797772; SB17466; NCGC00479176-02; 5-(4-Cyclopropyl-1H-imidazol-1-yl)-2-fluoro-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)-2-pyridinyl)-4-methylbenzamide; AC-31493; AS-35035; Benzamide, 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-(6-(4-(1-methylethyl)-4H-1,2,4-triazol-3-yl)-2-pyridinyl)-; HY-18938; Selonsertib HCl salt, GS-4997 HCl salt; D10988; A857921; GS-4997; GS4997; GS 4997; Q27088777; 5-(4-Cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-(1-methylethyl)-4H-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide; 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamid; 5-(4-cyclopropyl-1H-imidazol-1-yl)-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-2-fluoro-4-methylbenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797772	.	.	.	.	445.5	C24H24FN7O	90.5	692	2.7	33	1	6	6	"InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33)"	CC1=CC(=C(C=C1N2C=C(N=C2)C3CC3)C(=O)NC4=CC=CC(=N4)C5=NN=CN5C(C)C)F	YIDDLAAKOYYGJG-UHFFFAOYSA-N
DG68117	"2-(6-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline"	71263684	"1422731-37-0; SCHEMBL14707637; NSC763832; NSC-763832; SB16906; 2-(6-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763832	.	.	.	.	367.4	C22H14FN5	70.2	589	4.3	28	2	4	1	"InChI=1S/C22H14FN5/c1-11-17(13-7-6-12(23)10-16(13)26-11)22-27-20-14-4-2-8-24-18(14)19-15(21(20)28-22)5-3-9-25-19/h2-10,26H,1H3,(H,27,28)"	CC1=C(C2=C(N1)C=C(C=C2)F)C3=NC4=C5C=CC=NC5=C6C(=C4N3)C=CC=N6	ZBMZAZLIAFTXRO-UHFFFAOYSA-N
DG68118	Gusacitinib	71269142	"Gusacitinib; ASN002; ASN-002; 1425381-60-7; UNII-4801QYW816; EN3351; 4801QYW816; 2-[1-[4-[4-(4-hydroxypiperidin-1-yl)anilino]-5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl]piperidin-4-yl]acetonitrile; Gusacitinib [INN]; Gusacitinib [USAN]; Gusacitinib (USAN/INN); CHEMBL4594275; SCHEMBL14717111; GTPL10000; ASN-002ASN-002; BCP31675; EX-A2668; NSC818003; WHO 10976; EN-3351; NSC-818003; example 189 [WO2013028818A1]; HY-103018; ASN-002; ASN 002; ASN002; CS-0023113; D11676; 1-(4-(4-(4-Hydroxy-piperidin-1-yl)-phenylamino)-5-oxo-5,6-dihydro-pyrimido(4,5-D)pyridazin-2-yl)-piperidin-4-YL-acetonitrile; 2-(1-(4-((4-(4-Hydroxypiperidin-1-yl)phenyl)amino)-5-oxo-5,6-dihydropyrimido[4,5-d]pyridazin-2-yl)piperidin-4-yl)acetonitrile; 4-Piperidineacetonitrile, 1-(5,6-dihydro-4-((4-(4-hydroxy-1-piperidinyl)phenyl)amino)-5-oxopyrimido(4,5-d)pyridazin-2-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	818003	.	.	.	.	460.5	C24H28N8O2	130	775	2.6	34	3	9	5	"InChI=1S/C24H28N8O2/c25-10-5-16-6-11-32(12-7-16)24-28-20-15-26-30-23(34)21(20)22(29-24)27-17-1-3-18(4-2-17)31-13-8-19(33)9-14-31/h1-4,15-16,19,33H,5-9,11-14H2,(H,30,34)(H,27,28,29)"	C1CN(CCC1CC#N)C2=NC3=C(C(=O)NN=C3)C(=N2)NC4=CC=C(C=C4)N5CCC(CC5)O	NLFLXLJXEIUQDL-UHFFFAOYSA-N
DG68119	"2-Methoxy-N-(3-Methyl-2-Oxo-1,2,3,4-Tetrahydroquinazolin-6-Yl)benzenesulfonamide"	71271629	"PFI-1; 1403764-72-6; 2-Methoxy-N-(3-Methyl-2-Oxo-1,2,3,4-Tetrahydroquinazolin-6-Yl)benzenesulfonamide; PFI-1 (PF-6405761); PF-6405761; PFI 1; PF-06405761; HY-16586; QCR-192; CHEMBL2179387; C16H17N3O4S; 2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide; 2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide; 2-Methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfon amide; PFI1; GTPL7523; SCHEMBL14721611; CHEBI:95079; AOB2223; DTXSID90744264; EX-A480; SYN1223; SYN3009; 4e96; HMS3426C13; HMS3651E05; BCP07505; BDBM50399434; MFCD22580416; NSC768123; NSC777448; s1216; ZINC86003193; AKOS024458163; CCG-268000; CS-1362; NSC-768123; NSC-777448; SB19334; PFI-1, >=98% (HPLC); NCGC00344624-13; PFI-1(PF-6405761); AC-32714; AS-16355; BP-25371; DA-45320; FT-0696776; PFI-1 (PF-06405761); SW219427-1; Y1244; PF 06405761; J-007379; Q27088338"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768123	.	.	.	.	347.4	C16H17N3O4S	96.1	562	1.2	24	2	5	4	"InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)"	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O	TXZPMHLMPKIUGK-UHFFFAOYSA-N
DG68120	"3-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine"	71307857	CHEMBL3102994; BDBM50445562; NSC767063; NSC-767063; NCGC00249662-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767063	.	.	.	.	375.3	C19H20Cl2N4	35.6	465	4.6	25	0	2	2	"InChI=1S/C19H20Cl2N4/c1-12-10-15(19-23-22-18-6-4-3-5-9-24(18)19)13(2)25(12)14-7-8-16(20)17(21)11-14/h7-8,10-11H,3-6,9H2,1-2H3"	CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)C3=NN=C4N3CCCCC4	XPTYTHZOTIZQJV-UHFFFAOYSA-N
DG68121	NSC756058	71311840	"N-[(2S,3R,4R,6S)-3-methoxy-2-methyl-16,18-dioxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide; 154589-96-5; Stauprimide, >=98% (HPLC); NSC756058; ZINC101234329; NSC-756058"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756058	.	.	.	.	584.6	C35H28N4O5	94.8	1220	4.8	44	1	5	3	"InChI=1S/C35H28N4O5/c1-35-31(43-3)23(37(2)34(42)18-11-5-4-6-12-18)17-24(44-35)38-21-15-9-7-13-19(21)25-27-28(33(41)36-32(27)40)26-20-14-8-10-16-22(20)39(35)30(26)29(25)38/h4-16,23-24,31H,17H2,1-3H3,(H,36,40,41)/t23-,24+,31-,35+/m1/s1"	C[C@@]12[C@@H]([C@@H](C[C@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(=O)NC6=O)N(C)C(=O)C9=CC=CC=C9)OC	MQCCJEYZKWZQHU-JTPSWESPSA-N
DG68122	"1,3-Diphenyl-1,2,4-benzotriazine-7(1H)-one"	71458464	"CHEMBL2153000; NSC768093; NSC-768093; 1,3-Diphenyl-1,2,4-benzotriazine-7(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768093	.	.	.	.	299.3	C19H13N3O	45	602	3.5	23	0	3	2	InChI=1S/C19H13N3O/c23-16-11-12-17-18(13-16)22(15-9-5-2-6-10-15)21-19(20-17)14-7-3-1-4-8-14/h1-13H	C1=CC=C(C=C1)C2=NN(C3=CC(=O)C=CC3=N2)C4=CC=CC=C4	BOXCNPJCYWRSEV-UHFFFAOYSA-N
DG68123	NSC755288	71466690	"[4-[2-Phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]-[2-(thiophen-2-ylmethylamino)phenyl]methanone; NSC755288; NSC-755288"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755288	.	.	.	.	688.8	C38H36N6O5S	139	1110	6	50	1	9	10	"InChI=1S/C38H36N6O5S/c1-47-33-20-26(21-34(48-2)36(33)49-3)32-22-31(40-35-23-30(41-44(32)35)25-10-5-4-6-11-25)38(46)43-17-15-42(16-18-43)37(45)28-13-7-8-14-29(28)39-24-27-12-9-19-50-27/h4-14,19-23,39H,15-18,24H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2=CC(=NC3=CC(=NN23)C4=CC=CC=C4)C(=O)N5CCN(CC5)C(=O)C6=CC=CC=C6NCC7=CC=CS7	KFUIJMKWWLYYFD-UHFFFAOYSA-N
DG68124	NSC755290	71466691	"[4-[2-Phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]-[2-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]methanone; NSC755290; NSC-755290"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755290	.	.	.	.	772.8	C43H44N6O8	138	1260	6.2	57	1	11	13	"InChI=1S/C43H44N6O8/c1-52-35-20-27(21-36(53-2)40(35)56-5)26-44-31-15-11-10-14-30(31)42(50)47-16-18-48(19-17-47)43(51)33-24-34(29-22-37(54-3)41(57-6)38(23-29)55-4)49-39(45-33)25-32(46-49)28-12-8-7-9-13-28/h7-15,20-25,44H,16-19,26H2,1-6H3"	COC1=CC(=CC(=C1OC)OC)CNC2=CC=CC=C2C(=O)N3CCN(CC3)C(=O)C4=NC5=CC(=NN5C(=C4)C6=CC(=C(C(=C6)OC)OC)OC)C7=CC=CC=C7	OUHCGIVODQEAOU-UHFFFAOYSA-N
DG68125	NSC755289	71466692	"[2-(Furan-2-ylmethylamino)phenyl]-[4-[2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]methanone; NSC755289; NSC-755289"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755289	.	.	.	.	672.7	C38H36N6O6	124	1110	5.4	50	1	9	10	"InChI=1S/C38H36N6O6/c1-47-33-20-26(21-34(48-2)36(33)49-3)32-22-31(40-35-23-30(41-44(32)35)25-10-5-4-6-11-25)38(46)43-17-15-42(16-18-43)37(45)28-13-7-8-14-29(28)39-24-27-12-9-19-50-27/h4-14,19-23,39H,15-18,24H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2=CC(=NC3=CC(=NN23)C4=CC=CC=C4)C(=O)N5CCN(CC5)C(=O)C6=CC=CC=C6NCC7=CC=CO7	DOIMEWNEZLGWQF-UHFFFAOYSA-N
DG68126	"4,5-Dichloro-1,3-bis(naphthalen-2-ylmethyl)imidazol-1-ium"	71467516	CHEMBL4117302; NSC788908; NSC-788908; 1404549-01-4	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788908	.	.	.	.	418.3	C25H19Cl2N2+	8.8	497	7.8	29	0	0	4	"InChI=1S/C25H19Cl2N2/c26-24-25(27)29(16-19-10-12-21-6-2-4-8-23(21)14-19)17-28(24)15-18-9-11-20-5-1-3-7-22(20)13-18/h1-14,17H,15-16H2/q+1"	C1=CC=C2C=C(C=CC2=C1)CN3C=[N+](C(=C3Cl)Cl)CC4=CC5=CC=CC=C5C=C4	NFOVASOBSLDJCL-UHFFFAOYSA-N
DG68127	Selinexor	71481097	"Selinexor; KPT-330; 1393477-72-9; Xpovio; Selinexor (KPT-330); Selinexor free base; UNII-31TZ62FO8F; (Z)-3-(3-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-N'-(pyrazin-2-yl)acrylohydrazide; KPT 330; 31TZ62FO8F; (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyrazin-2-ylprop-2-enehydrazide; 2-Propenoic acid, 3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-, 2-(2-pyrazinyl)hydrazide, (2Z)-; 2-Propenoic acid, 3-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]-, 2-(2-pyrazinyl)hydrazide, (2Z)-; Selinexor [USAN:INN]; Nexpovio; KPT330;Selinexor; Xpovio (TN); KPT-330(Selinexor); Selinexor (USAN/INN); CHEMBL3545185; SCHEMBL14678327; GTPL10036; EX-A870; 2500AH; BDBM50527778; MFCD27987944; NSC780203; NSC781780; ZINC96170454; CCG-269161; DB11942; NSC-780203; NSC-781780; NCGC00386310-01; NCGC00386310-03; AC-33645; BS-15022; compound 70 [WO2013019561A1]; N-Hydroxy-N'-(2-phenylethyl)isophthalamide; S7252; SW219336-1; D11222; A857179; J-690156; Q27256082; (2Z)-2-(2-Pyrazinyl)hydrazide-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]-2-propenoic acid; 1621865-82-4; Selinexor;(Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-N'-(pyrazin-2-yl)acrylohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780203	.	.	.	.	443.3	C17H11F6N7O	97.6	621	3	31	2	12	5	"InChI=1S/C17H11F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h1-9H,(H,25,27)(H,28,31)/b4-1-"	C1=CN=C(C=N1)NNC(=O)/C=C\\N2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F	DEVSOMFAQLZNKR-RJRFIUFISA-N
DG68128	"(Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one"	71496742	"KPT-276; 1421919-75-6; (Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one; KPT276; CHEMBL4303237; SCHEMBL14676979; EX-A872; KPT 276; WGC91975; 2499AH; MFCD27937049; NSC762445; s7251; ZINC102241163; CCG-268957; NSC-762445; NCGC00386295-01; AC-32680; SW219338-1; J-690169; 2-Propen-1-one, 3-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]-1-(3,3-difluoro-1-azetidinyl)-, (2Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762445	.	.	.	.	426.26	C16H10F8N4O	51	620	3.6	29	0	11	3	"InChI=1S/C16H10F8N4O/c17-14(18)6-27(7-14)12(29)1-2-28-8-25-13(26-28)9-3-10(15(19,20)21)5-11(4-9)16(22,23)24/h1-5,8H,6-7H2/b2-1-"	C1C(CN1C(=O)/C=C\\N2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)(F)F	JCHAWRDHMUSLMM-UPHRSURJSA-N
DG68129	"5'-[5-(Hydroxymethyl)-2-thienyl]-2,2'-bifuran-5-methanol"	71530011	"CHEMBL4088732; NSC777196; NSC-777196; 5'-[5-(Hydroxymethyl)-2-thienyl]-2,2'-bifuran-5-methanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777196	.	.	.	.	276.31	C14H12O4S	95	301	1.4	19	2	5	4	"InChI=1S/C14H12O4S/c15-7-9-1-3-11(17-9)12-4-5-13(18-12)14-6-2-10(8-16)19-14/h1-6,15-16H,7-8H2"	C1=C(OC(=C1)C2=CC=C(O2)C3=CC=C(S3)CO)CO	PKHWPMSVTXOQMF-UHFFFAOYSA-N
DG68130	[5-[5-[5-(Hydroxymethyl)furan-2-yl]thiophen-2-yl]furan-2-yl]methanol	71530013	CHEMBL4088013; NSC773097; NSC-773097	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773097	.	.	.	.	276.31	C14H12O4S	95	273	1.4	19	2	5	4	"InChI=1S/C14H12O4S/c15-7-9-1-3-11(17-9)13-5-6-14(19-13)12-4-2-10(8-16)18-12/h1-6,15-16H,7-8H2"	C1=C(OC(=C1)C2=CC=C(S2)C3=CC=C(O3)CO)CO	GRVJRZFWINJLLL-UHFFFAOYSA-N
DG68131	NSC810341	71535003	"1-((3R,4R)-3-(((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)methyl)-4-methoxypyrrolidin-1-yl)prop-2-en-1-one; PF-06459988; 1428774-45-1; UNII-5IE92SK9EB; 5IE92SK9EB; CHEMBL3786098; 1-((3R,4R)-3-(((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)methyl)-4-methoxypyrrolidin-1-yl)prop-2-en-1-one; 1-[(3R,4R)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxymethyl]-4-methoxypyrrolidin-1-yl]prop-2-en-1-one; SCHEMBL14800837; EX-A2705; BDBM50159360; MFCD28987462; NSC810341; ZINC204947687; DB14768; NSC-810341; HY-19985; CS-0017709; J3.614.453J; A901218; PF-06459988, >=98% (HPLC); 1-((3R,4R)-3-(((5-Chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)methyl)-4-methoxy-1-pyrrolidinyl)-2-propen-1-one; 2-Propen-1-one, 1-((3R,4R)-3-(((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)methyl)-4-methoxy-1-pyrrolidinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	810341	.	.	.	.	431.9	C19H22ClN7O3	110	629	1.8	30	2	7	7	"InChI=1S/C19H22ClN7O3/c1-4-15(28)27-7-11(14(9-27)29-3)10-30-18-16-13(20)6-21-17(16)24-19(25-18)23-12-5-22-26(2)8-12/h4-6,8,11,14H,1,7,9-10H2,2-3H3,(H2,21,23,24,25)/t11-,14+/m1/s1"	CN1C=C(C=N1)NC2=NC3=C(C(=CN3)Cl)C(=N2)OC[C@H]4CN(C[C@@H]4OC)C(=O)C=C	ODMXWZROLKITMS-RISCZKNCSA-N
DG68132	2-(4-(Adamantan-1-yl)phenoxy)-1-(4-methylpiperazin-1-yl)ethanone	71542096	"IDF-11774; 1429054-28-3; 2-(4-(adamantan-1-yl)phenoxy)-1-(4-methylpiperazin-1-yl)ethanone; 2-[4-(1-adamantyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone; SCHEMBL14829012; BCP31295; EX-A3002; IDF11774; NSC805596; s8771; ZB1506; NSC-805596; BS-15374; IDF 11774; IDF11774; HY-111387; CS-0040309; J3.555.016J; A16845; D71174; 1-(4-Methyl-1-piperazinyl)-2-[4-(1-adamantyl)phenoxy]ethanone; Ethanone, 1- (4- methyl- 1- piperazinyl) - 2- (4- tricyclo[3.3.1.13, 7] dec- 1- ylphenoxy) -"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805596	.	.	.	.	368.5	C23H32N2O2	32.8	505	4.6	27	0	3	4	"InChI=1S/C23H32N2O2/c1-24-6-8-25(9-7-24)22(26)16-27-21-4-2-20(3-5-21)23-13-17-10-18(14-23)12-19(11-17)15-23/h2-5,17-19H,6-16H2,1H3"	CN1CCN(CC1)C(=O)COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4	QGBBBLPWBSWERZ-UHFFFAOYSA-N
DG68133	"4-(2-Methylquinazoline-4-yl)-7-methoxy-3,4-dihydroquinoxaline-2(1H)-one"	71543088	"1415262-07-5; 4-(2-Methylquinazoline-4-yl)-7-methoxy-3,4-dihydroquinoxaline-2(1H)-one; CHEMBL3126926; SCHEMBL16612167; NSC786094; NSC-786094; WX-132-18B; 7-methoxy-4-(2-methylquinazolin-4-yl)-1,3-dihydroquinoxalin-2-one; 7-Methoxy-4-(2-methylquinazolin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	786094	.	.	.	.	320.3	C18H16N4O2	67.4	474	2.9	24	1	5	2	"InChI=1S/C18H16N4O2/c1-11-19-14-6-4-3-5-13(14)18(20-11)22-10-17(23)21-15-9-12(24-2)7-8-16(15)22/h3-9H,10H2,1-2H3,(H,21,23)"	CC1=NC2=CC=CC=C2C(=N1)N3CC(=O)NC4=C3C=CC(=C4)OC	LTTPRSPHFQPOMT-UHFFFAOYSA-N
DG68134	Iadademstat	71543365	"Iadademstat; ORY-1001 free base; CHEMBL3781751; UNII-54T74394F8; 1431304-21-0 (free base); 54T74394F8; RG-6016; 1431304-21-0; N-[(1R,2S)-2-Phenylcyclopropyl]-1,4-cyclohexanediamine; 4-N-[(1R,2S)-2-phenylcyclopropyl]cyclohexane-1,4-diamine; ORY1001; Iadademstat [INN]; GTPL8390; CHEMBL3906257; SCHEMBL14880401; SCHEMBL14880402; SCHEMBL14880654; BDBM254603; BDBM50155773; NSC806812; RG6016; ZINC94088493; NSC-806812; NCGC00480828-02; NCGC00480828-04; B5882; US9469597, 4; trans-N1-((1R,2S)-2-Phenylcyclopropyl)-1,4-cyclohexanediamine; trans-N1-((1R,2S)-2-Phenylcyclopropyl)cyclohexane-1,4-diamine; 1,4-Cyclohexanediamine, N1-((1R,2S)-2-phenylcyclopropyl)-, trans-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	806812	.	.	.	.	230.35	C15H22N2	38	239	2.1	17	2	2	3	"InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12 ,13 ,14-,15+/m0/s1"	C1CC(CCC1N)N[C@@H]2C[C@H]2C3=CC=CC=C3	ALHBJBCQLJZYON-PFSRBDOWSA-N
DG68135	"[(3R,4R)-1-chrysen-6-yl-2-oxo-4-pyridin-2-ylazetidin-3-yl] methanesulfonate"	71551515	NSC777574; NSC-777574	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777574	.	.	.	.	468.5	C27H20N2O4S	85	872	4.8	34	0	5	4	"InChI=1S/C27H20N2O4S/c1-34(31,32)33-26-25(23-12-6-7-15-28-23)29(27(26)30)24-16-22-18-9-3-2-8-17(18)13-14-20(22)19-10-4-5-11-21(19)24/h2-16,25-26H,1H3/t25-,26-/m1/s1"	CS(=O)(=O)O[C@@H]1[C@H](N(C1=O)C2=CC3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52)C6=CC=CC=N6	LLBQPYBZHNVHLM-CLJLJLNGSA-N
DG68136	"N-[3-(2,4-difluorophenyl)-5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]cyclopropanesulfonamide"	71554322	"ODM-203; 1430723-35-5; ODM203; UNII-Y7HJ4D4CRT; Y7HJ4D4CRT; N-[2',4'-difluoro-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl][1,1'-biphenyl]-3-yl]-cyclopropanesulfonamide; N-[3-(2,4-difluorophenyl)-5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]cyclopropanesulfonamide; CHEMBL3964954; SCHEMBL16342978; BDBM247327; EX-A3819; NSC825521; s8882; NSC-825521; HY-119367; CS-0067923; US9447091, 5; Cyclopropanesulfonamide, N-(2',4'-difluoro-5-(5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl)(1,1'-biphenyl)-3-yl)-; N-(2',4'-Difluoro-5-(5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl)(1,1'-biphenyl)-3-yl)cyclopropanesulfonamide; N-(2',4'-Difluoro-5-(5-(1-methyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-1-yl)-[1,1'-biphenyl]-3-yl)cyclopropanesulfonamide; N-(2',4'-difluoro-5-(5-(1-methyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-1-yl)-biphenyl-3-yl)cyclopropanesulfonamide; N-[2 inverted exclamation marka,4 inverted exclamation marka-difluoro-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl][1,1 inverted exclamation marka-biphenyl]-3-yl]-cyclopropanesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	825521	.	.	.	.	505.5	C26H21F2N5O2S	90.2	886	4.4	36	1	7	6	"InChI=1S/C26H21F2N5O2S/c1-32-14-18(13-30-32)16-2-7-26-25(10-16)29-15-33(26)21-9-17(23-6-3-19(27)11-24(23)28)8-20(12-21)31-36(34,35)22-4-5-22/h2-3,6-15,22,31H,4-5H2,1H3"	CN1C=C(C=N1)C2=CC3=C(C=C2)N(C=N3)C4=CC(=CC(=C4)NS(=O)(=O)C5CC5)C6=C(C=C(C=C6)F)F	ZJFCBQXPTQSTCZ-UHFFFAOYSA-N
DG68137	NSC797172	71565985	"3-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-2-carboxylic acid; A-1331852; 1430844-80-6; CHEMBL3793424; A1331852; A 1331852; 3-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-2-carboxylic acid; 3-(1-(((3r,5r,7r)-adamantan-1-yl)methyl)-5-methyl-1H-pyrazol-4-yl)-6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)picolinic acid; SCHEMBL14859048; GTPL11102; BCP18310; EX-A1061; BDBM50162797; MFCD30532662; NSC797172; s7801; ZINC205644260; CS-5565; NSC-797172; AS-82460; HY-19741; A900598; 3-(1-(adamantan-1-ylmethyl)-5-methyl-1H-pyrazol-4-yl)-6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)picolinic acid; 3-(1-(Adamantan-1-ylmethyl)-5-methyl-1H-pyrazol-4-yl)-6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)picolinicacid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797172	.	.	.	.	658.8	C38H38N6O3S	142	1180	7.5	48	2	8	7	"InChI=1S/C38H38N6O3S/c1-22-29(19-39-44(22)21-38-16-23-13-24(17-38)15-25(14-23)18-38)27-9-10-33(41-34(27)36(46)47)43-12-11-26-5-4-6-28(30(26)20-43)35(45)42-37-40-31-7-2-3-8-32(31)48-37/h2-10,19,23-25H,11-18,20-21H2,1H3,(H,46,47)(H,40,42,45)"	CC1=C(C=NN1CC23CC4CC(C2)CC(C4)C3)C5=C(N=C(C=C5)N6CCC7=C(C6)C(=CC=C7)C(=O)NC8=NC9=CC=CC=C9S8)C(=O)O	QCQQONWEDCOTBV-UHFFFAOYSA-N
DG68138	"N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide"	71576419	"CEP-40783; 1437321-24-8; RXDX-106; CEP40783; UNII-1969ZJE05Q; 1969ZJE05Q; N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide; N-(4-((6,7-dimethoxyquinolin-4-yl)oxy)-3-fluorophenyl)-3-(4-fluorophenyl)-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide; CEP 40783; CHEMBL4776274; SCHEMBL16089863; BCP25839; EX-A2540; MFCD28502441; NSC797770; s8570; AKOS032960472; ZINC205893112; CCG-270157; CS-6371; NSC-797770; SB18930; AC-31425; AS-35141; RXDX-106 (CEP-40783); HY-100946; A902779; N-(4-((6,7-Dimethoxy-4-quinolinyl)oxy)-3-fluorophenyl)-3-(4-fluorophenyl)-1,2,3,4-tetrahydro-1-(1-methylethyl)-2,4-dioxo-5-pyrimidinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797770	.	.	.	.	588.6	C31H26F2N4O6	110	1050	4.7	43	1	9	8	"InChI=1S/C31H26F2N4O6/c1-17(2)36-16-22(30(39)37(31(36)40)20-8-5-18(32)6-9-20)29(38)35-19-7-10-26(23(33)13-19)43-25-11-12-34-24-15-28(42-4)27(41-3)14-21(24)25/h5-17H,1-4H3,(H,35,38)"	CC(C)N1C=C(C(=O)N(C1=O)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C5C=C(C(=CC5=NC=C4)OC)OC)F	FKCWHHYUMFGOPY-UHFFFAOYSA-N
DG68139	Telaglenastat	71577426	"CB-839; 1439399-58-2; Telaglenastat; CB839; CB 839; 2-(pyridin-2-yl)-N-(5-(4-(6-(2-(3-(trifluoromethoxy)phenyl)acetamido)pyridazin-3-yl)butyl)-1,3,4-thiadiazol-2-yl)acetamide; UNII-U6CL98GLP4; U6CL98GLP4; N-[6-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide; 2-(Pyridin-2-Yl)-N-(5-{4-[6-({[3-(Trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-Yl]butyl}-1,3,4-Thiadiazol-2-Yl)acetamide; 2-(PYRIDIN-2-YL)-N-{5-[4-(6-{2-[3-(TRIFLUOROMETHOXY)PHENYL]ACETAMIDO}PYRIDAZIN-3-YL)BUTYL]-1,3,4-THIADIAZOL-2-YL}ACETAMIDE; 2-Pyridineacetamide, N-(5-(4-(6-((2-(3-(trifluoromethoxy)phenyl)acetyl)amino)-3-pyridazinyl)butyl)-1,3,4-thiadiazol-2-yl)-; 2-Pyridineacetamide, N-[5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridazinyl]butyl]-1,3,4-thiadiazol-2-yl]-; 63J; Telaglenastat [USAN]; CB-839(Telaglenastat); Telaglenastat (USAN/INN); GTPL9053; CB-839 [WHO-DD]; CHEMBL3639788; SCHEMBL14987180; BDBM109086; HMS3741E19; HMS3873G13; AMY16835; BCP28287; EX-A1310; MFCD28167826; NSC783415; NSC795998; NSC798057; s7655; WHO 10815; AKOS025396175; ZINC169698697; CCG-270102; CS-3393; DB15232; NSC-783415; NSC-795998; NSC-798057; SB17221; NCGC00356145-11; 2- Pyridineacetamide, N- [5- [4- [6- [[2- [3- (trifluoromethoxy) phenyl] acetyl] amino] - 3- pyridaz; AC-31603; AS-75090; CB839; CB 839 pound>>Telaglenastat,; DA-34988; HY-12248; FT-0767818; A14396; D11738; A857288; US8604016, 670; Q27075751; 2- Pyridineacetamide, N- [5- [4- [6- [[2- [3- (trifluoromethoxy) phenyl] acetyl] amino] - 3- pyridazinyl] butyl] - 1, 3, 4- thiadiazol- 2- yl] -; N-[5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridazinyl]butyl]-1,3,4-thiadiazol-2-yl]-2-pyridineacetamide; N-[5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridazinyl]butyl]-1,3,4-thiadiazol-2-yl]-2-pyridineacetamide;CB-839; N-[6-(4-{5-[2-(pyridin-2-yl)acetamido]-1,3,4-thiadiazol-2-yl}butyl)pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783415	.	.	.	.	571.6	C26H24F3N7O3S	160	812	3.6	40	2	12	12	"InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)"	C1=CC=NC(=C1)CC(=O)NC2=NN=C(S2)CCCCC3=NN=C(C=C3)NC(=O)CC4=CC(=CC=C4)OC(F)(F)F	PRAAPINBUWJLGA-UHFFFAOYSA-N
DG68141	Mivebresib	71600087	"Mivebresib; 1445993-26-9; ABBV-075; ABBV075; UNII-VR86R11J7J; VR86R11J7J; N-(4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl)ethanesulfonamide; N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide; N-[4-(2,4-Difluorophenoxy)-3-(6-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl)phenyl]ethanesulfonamide; 8NG; Ethanesulfonamide, N-(4-(2,4-difluorophenoxy)-3-(6,7-dihydro-6-methyl-7-oxo-1H-pyrrolo(2,3-C)pyridin-4-yl)phenyl)-; Ethanesulfonamide, N-[4-(2,4-difluorophenoxy)-3-(6,7-dihydro-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]-; Mivebresib [INN]; Mivebresib [USAN]; Mivebresib(ABBV-075; Mivebresib (USAN/INN); Mivebresib [USAN:INN]; Mivebresib; ABBV-075; ABBV-075 (Mivebresib); Mivebresib (ABBV-075); ABBV 075; GTPL9117; CHEMBL3987016; SCHEMBL15068241; BDBM220447; AMY16732; BCP18592; EX-A1082; MFCD30377200; NSC793103; s8400; AKOS030628486; ZINC146486516; CCG-269326; CS-5815; NSC-793103; SB19768; Example 36 [WO2013097601]; AC-29897; AS-75006; BA166577; HY-100015; D11479; US9296741, 36; A857556; Q27291978; N-(4-(2,4-Difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro- 1H-pyrrolo(2,3-C)pyridin-4-yl)phenyl)ethanesulfonamide; N-[4-(2,4-difluorophenoxy)-3-{6-methyl-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-4-yl}phenyl]ethane-1-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	793103	.	.	.	.	459.5	C22H19F2N3O4S	99.9	834	2.9	32	2	7	6	"InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3"	CCS(=O)(=O)NC1=CC(=C(C=C1)OC2=C(C=C(C=C2)F)F)C3=CN(C(=O)C4=C3C=CN4)C	RDONXGFGWSSFMY-UHFFFAOYSA-N
DG68142	"L-Prolinamide, N-methyl-L-alanyl-(2S)-2-cyclohexylglycyl-N-(2-(2-oxazolyl)-4-phenyl-5-thiazolyl)-"	71600094	"CUDC-427; GDC-0917; 1446182-94-0; UNII-KWH46ZDG32; Cudc 427; KWH46ZDG32; GDC-0917 (CUDC-427); (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide; L-Prolinamide, N-methyl-L-alanyl-(2S)-2-cyclohexylglycyl-N-(2-(2-oxazolyl)-4-phenyl-5-thiazolyl)-; L-Prolinamide, N-methyl-L-alanyl-(2S)-2-cyclohexylglycyl-N-[2-(2-oxazolyl)-4-phenyl-5-thiazolyl]-; CHEMBL4297282; SCHEMBL15088334; WHC18294; BDBM50542237; NSC781468; ZINC206792055; CS-3392; DB12336; NSC-781468; AC-33625; HY-15835; A908195; Q27282470"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781468	.	.	.	.	564.7	C29H36N6O4S	158	883	4	40	3	8	9	"InChI=1S/C29H36N6O4S/c1-18(30-2)24(36)32-23(20-12-7-4-8-13-20)29(38)35-16-9-14-21(35)25(37)34-27-22(19-10-5-3-6-11-19)33-28(40-27)26-31-15-17-39-26/h3,5-6,10-11,15,17-18,20-21,23,30H,4,7-9,12-14,16H2,1-2H3,(H,32,36)(H,34,37)/t18-,21-,23-/m0/s1"	C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC3=C(N=C(S3)C4=NC=CO4)C5=CC=CC=C5)NC	HSHPBORBOJIXSQ-HARLFGEKSA-N
DG68143	Rogaratinib	71611869	"Rogaratinib; 1443530-05-9; BAY-1163877; UNII-98BSN6N516; 4-[[4-amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]piperazin-2-one; 98BSN6N516; BAY1163877; 4-((4-Amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo(2,1-f)(1,2,4)triazin-7-yl)methyl)piperazin-2-one; Rogaratinib [INN]; GTPL9789; CHEMBL3963485; SCHEMBL15023004; BDBM194820; BCP25142; EX-A1423; NSC804518; CS-8129; DB15078; Example 1 [WO2013087578]; NSC-804518; SB19772; BAY 1163877; BAY1163877BAY1163877; HY-100019; A16963; US9206184, 1; US9206184, 2; A936593; Q27272111; 2-Piperazinone, 4-((4-amino-6-(methoxymethyl)-5-(7-methoxy-5-methylbenzo(b)thien-2-yl)pyrrolo(2,1-f)(1,2,4)triazin-7-yl)methyl)-; 4-((4-amino-5-(7-methoxy-5-methylbenzo[b]thiophen-2-yl)-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl)piperazin-2-one; 4-((4-amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo(2,1-f)(1,2,4)triazin-7-yl)methyl)-2-piperazinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804518	.	.	.	.	466.6	C23H26N6O3S	135	703	1.7	33	2	8	6	"InChI=1S/C23H26N6O3S/c1-13-6-14-8-18(33-22(14)17(7-13)32-3)20-15(11-31-2)16(9-28-5-4-25-19(30)10-28)29-21(20)23(24)26-12-27-29/h6-8,12H,4-5,9-11H2,1-3H3,(H,25,30)(H2,24,26,27)"	CC1=CC2=C(C(=C1)OC)SC(=C2)C3=C4C(=NC=NN4C(=C3COC)CN5CCNC(=O)C5)N	HNLRRJSKGXOYNO-UHFFFAOYSA-N
DG68144	"4-(4-fluoro-2-methoxyphenyl)-N-(3-((S-methylsulfonimidoyl)methyl)phenyl)-1,3,5-triazin-2-amine"	71618220	"1414943-88-6; Atuveciclib Racemate; BAY-1143572; Atuveciclib (Racemate); BAY-1143572 Racemate; 4-(4-fluoro-2-methoxyphenyl)-N-(3-((S-methylsulfonimidoyl)methyl)phenyl)-1,3,5-triazin-2-amine; 1,3,5-Triazin-2-amine, 4-(4-fluoro-2-methoxyphenyl)-N-[3-[(S-methylsulfonimidoyl)methyl]phenyl]-; BAY1143572; Atuveciclib (BAY-1143572); BAY 1143572; CHEMBL4286578; SCHEMBL14061694; BDBM168383; BDBM168384; BDBM168385; BCP30202; EX-A2917; MFCD30502894; NSC786098; s8727; CS-6307; NSC-786098; SB19757; NCGC00475726-01; HY-12871; Atuveciclib Racemate;  BAY-1143572 Racemate; D80409; (-)-4-(4-Fluoro-2-methoxyphenyl)-N-(3-((S-methylsulfonimidoyl)methyl)phenyl)-1,3,5-triazin-2-amine; (rac)-4-(4-Fluoro-2-methoxyphenyl)-N-{3-[(S-methylsulfonimidoyl)methyl]phenyl}-1,3,5-triazin-2-amine; (S)-4-(4-Fluoro-2-methoxyphenyl)-N-(3-((S-methylsulfonimidoyl)methyl)phenyl)-1,3,5-triazin-2-amine; 1414943-91-1; 1414943-94-4;Atuveciclib;BAY-1143572 Racemate; BAY1143572; BAY 1143572; BAY-1143572; 2250279-81-1; US9669034, 2 (rac)-4-(4-Fluoro-2-methoxyphenyl)-N-{3-[(S-methylsulfonimidoyl)methyl]phenyl}-1,3,5-triazin-2-amine; US9669034, 3 ( )-4-(4-Fluoro-2-methoxyphenyl)-N-{3-[(S-methylsulfonimidoyl)methyl]phenyl}-1,3,5-triazin-2-amine;enantiomer1; US9669034, 4 (+)-4-(4-Fluoro-2-methoxyphenyl)-N-{3-[(S-methylsulfonimidoyl)methyl]phenyl}-1,3,5-triazin-2-amine:enantiomer2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	786098	.	.	.	.	387.4	C18H18FN5O2S	109	588	4	27	2	8	6	"InChI=1S/C18H18FN5O2S/c1-26-16-9-13(19)6-7-15(16)17-21-11-22-18(24-17)23-14-5-3-4-12(8-14)10-27(2,20)25/h3-9,11,20H,10H2,1-2H3,(H,21,22,23,24)"	COC1=C(C=CC(=C1)F)C2=NC(=NC=N2)NC3=CC=CC(=C3)CS(=N)(=O)C	ACWKGTGIJRCOOM-UHFFFAOYSA-N
DG68146	"N-(1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide"	71624130	CHEMBL2387486; NSC763635; NSC-763635	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763635	.	.	.	.	537.6	C29H23N5O4S	128	820	5.5	39	1	8	7	"InChI=1S/C29H23N5O4S/c1-36-23-13-18(14-24(37-2)27(23)38-3)22-15-21(28(35)32-29-31-19-11-7-8-12-25(19)39-29)30-26-16-20(33-34(22)26)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,31,32,35)"	COC1=CC(=CC(=C1OC)OC)C2=CC(=NC3=CC(=NN23)C4=CC=CC=C4)C(=O)NC5=NC6=CC=CC=C6S5	ZUGJZIHKHLLDGE-UHFFFAOYSA-N
DG68147	"N-(1,3-benzothiazol-2-yl)-7-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide"	71625913	CHEMBL2387483; NSC763669; NSC-763669	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763669	.	.	.	.	465.5	C26H16FN5OS	100	715	5.7	34	1	6	4	"InChI=1S/C26H16FN5OS/c27-18-12-10-17(11-13-18)22-14-21(25(33)30-26-29-19-8-4-5-9-23(19)34-26)28-24-15-20(31-32(22)24)16-6-2-1-3-7-16/h1-15H,(H,29,30,33)"	C1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2)C(=O)NC4=NC5=CC=CC=C5S4)C6=CC=C(C=C6)F	OUUZYPPEPPBCND-UHFFFAOYSA-N
DG68148	"2-(4-Chlorophenyl)-5-methyl-4-[2-(4-methyl-2-oxochromen-7-yl)oxyethyl]-1,2,4-triazol-3-one"	71652845	CHEMBL2348001; NSC761736; NSC-761736	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761736	.	.	.	.	411.8	C21H18ClN3O4	71.4	717	3.3	29	0	5	5	"InChI=1S/C21H18ClN3O4/c1-13-11-20(26)29-19-12-17(7-8-18(13)19)28-10-9-24-14(2)23-25(21(24)27)16-5-3-15(22)4-6-16/h3-8,11-12H,9-10H2,1-2H3"	CC1=CC(=O)OC2=C1C=CC(=C2)OCCN3C(=NN(C3=O)C4=CC=C(C=C4)Cl)C	BLVYCTPKUXLYPK-UHFFFAOYSA-N
DG68149	Unii-W93257I68I	71654876	"s55746; 1448584-12-0; UNII-W93257I68I; W93257I68I; 1448525-91-4; (S)-N-(4-hydroxyphenyl)-3-(6-(3-(morpholinomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzo[d][1,3]dioxol-5-yl)-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide; N-(4-hydroxyphenyl)-3-[6-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide; (S)-N-(4-Hydroxyphenyl)-3-(6-(3-(morpholinomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzo(d)(1,3)dioxol-5-yl)-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide; F3Q; BCL201 diHCl; BCL-201 diHCl; BCL201; BLC201; CHEMBL3958369; SCHEMBL16411762; US9120791, Example 1; BCL-201; US9120791, Example 38; BDBM177786; EX-A4695; NSC820918; s8759; NSC-820918; S55746 (BLC201); HY-117288; CS-0065115; S-55746; S 055746; S55746 (S 055746,BCL201)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	820918	.	.	.	.	710.8	C43H42N4O6	96.7	1250	5.8	53	1	7	7	"InChI=1S/C43H42N4O6/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)43(50)37-23-39(45-17-7-6-12-38(37)45)35-24-40-41(53-28-52-40)25-36(35)42(49)46-26-30-9-5-4-8-29(30)22-33(46)27-44-18-20-51-21-19-44/h1-5,8-11,13-16,23-25,33,48H,6-7,12,17-22,26-28H2/t33-/m0/s1"	C1CCN2C(=C(C=C2C3=CC4=C(C=C3C(=O)N5CC6=CC=CC=C6C[C@H]5CN7CCOCC7)OCO4)C(=O)N(C8=CC=CC=C8)C9=CC=C(C=C9)O)C1	VYXJULKGMXJVGI-XIFFEERXSA-N
DG68150	Siremadlin	71678098	"Siremadlin; 1448867-41-1; HDM-201; NVP-HDM 201; HDM201; UNII-0282IF4JC8; (6S)-5-(5-chloro-1,2-dihydro-1-methyl-2-oxo-3-pyridinyl)-6-(4-chlorophenyl)-2-(2,4-dimethoxy-5-pyrimidinyl)-5,6-dihydro-1-(1-methylethyl)-Pyrrolo[3,4-d]imidazol-4(1H)-one; 0282IF4JC8; Pyrrolo[3,4-d]imidazol-4(1H)-one, 5-(5-chloro-1,2-dihydro-1-methyl-2-oxo-3-pyridinyl)-6-(4-chlorophenyl)-2-(2,4-dimethoxy-5-pyrimidinyl)-5,6-dihydro-1-(1-methylethyl)-, (6S)-; (4~{S})-5-(5-chloranyl-1-methyl-2-oxidanylidene-pyridin-3-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one; Pyrrolo(3,4-d)imidazol-4(1H)-one, 5-(5-chloro-1,2-dihydro-1-methyl-2-oxo-3-pyridinyl)-6-(4-chlorophenyl)-2-(2,4-dimethoxy-5-pyrimidinyl)-5,6-dihydro-1-(1-methylethyl)-, (6S)-; HDM201,Siremadlin; Hdm 201; Siremadlin (NVP-HDM201); NVP HDM 201; CHEMBL3653256; HDM 201 [WHO-DD]; SCHEMBL15142060; AMY1856; NVP-HDM201; HDM201; BDBM129823; BCP20814; EX-A1631; NSC804520; s8606; CS-7654; NSC-804520; AS-75314; BH166424; HY-18658; J3.619.530D; A16834; D71172; A902703; US8815926, 102; (4S)-5-(5-chloro-1-methyl-2-oxopyridin-3-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one; (S)-5-(5-Chloro-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)-6-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-1-isopropyl-5,6-dihydropyrrolo[3,4-d]imidazol-4(1H)-one; 5-chloro-3-[(6S)-6-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-4-oxo-1-(propan-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-d]imidazol-5-yl]-1-methyl-1,2-dihydropyridin-2-one; 9QW"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804520	.	.	.	.	555.4	C26H24Cl2N6O4	103	987	3.6	38	0	7	6	"InChI=1S/C26H24Cl2N6O4/c1-13(2)33-21-19(30-22(33)17-11-29-26(38-5)31-23(17)37-4)25(36)34(18-10-16(28)12-32(3)24(18)35)20(21)14-6-8-15(27)9-7-14/h6-13,20H,1-5H3/t20-/m0/s1"	CC(C)N1C2=C(C(=O)N([C@H]2C3=CC=C(C=C3)Cl)C4=CC(=CN(C4=O)C)Cl)N=C1C5=CN=C(N=C5OC)OC	AGBSXNCBIWWLHD-FQEVSTJZSA-N
DG68151	NSC785004	71715374	"Sulfamic acid, [(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[3-[(trifluoromethyl)thio]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl ester; TAK-243; 1450833-55-2; Uae inhibitor MLN7243; UNII-V9GGV0YCDI; V9GGV0YCDI; MLN7243; Sulfamic acid, [(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[3-[(trifluoromethyl)thio]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl ester; TAK 243; [(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate; ((1R,2R,3S,4R)-2,3-Dihydroxy-4-((2-(3-(trifluoromethylsulfanyl)phenyl)pyrazolo(1,5-a)pyrimidin-7-yl)amino)cyclopentyl)methyl sulfamate; Sulfamic acid, ((1R,2R,3S,4R)-2,3-dihydroxy-4-((2-(3-((trifluoromethyl)thio)phenyl)pyrazolo(1,5-a)pyrimidin-7-yl)amino)cyclopentyl)methyl ester; CHEMBL4297405; SCHEMBL15191794; MLN7243MLN7243; BDBM329836; EX-A5569; MLN 7243; NSC785004; s8341; US9663525, Compound I-044; US9663525, Compound I-101; AKOS037648830; TAK-243 (MLN7243); DB15013; NSC-785004; BS-15752; BT165712; HY-100487; CS-0019384; D70045; A930232; Q27896185; (rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(3-(trifluoromethylthio)phenyl)pyrazolo[1,5-; ((1R,2R,3S,4R)-2,3-Dihydroxy-4-((2-(3-((trifluoromethyl)thio)phenyl)pyrazolo[1,5-a]pyrimidin-7-yl)amino)cyclopentyl)methyl sulfamate; ((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(3-(trifluoromethylthio)-phenyl)pyrazolo[1,5-a]pyrimidin-7-ylamino)cyclopentyl)methyl sulfamate; ((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(3-(trifluoromethylthio)phenyl)pyrazolo[1,5-a]pyrimidin-7-ylamino)cyclopentyl)methyl sulfamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785004	.	.	.	.	519.5	C19H20F3N5O5S2	186	804	2	34	4	13	7	"InChI=1S/C19H20F3N5O5S2/c20-19(21,22)33-12-3-1-2-10(6-12)13-8-16-24-5-4-15(27(16)26-13)25-14-7-11(17(28)18(14)29)9-32-34(23,30)31/h1-6,8,11,14,17-18,25,28-29H,7,9H2,(H2,23,30,31)/t11-,14-,17-,18+/m1/s1"	C1[C@@H]([C@H]([C@H]([C@@H]1NC2=CC=NC3=CC(=NN23)C4=CC(=CC=C4)SC(F)(F)F)O)O)COS(=O)(=O)N	KJDAGXLMHXUAGV-DGWLBADLSA-N
DG68153	Cep-37440	71721648	"CEP-37440; 1391712-60-9; UNII-O3MNS8782H; O3MNS8782H; CHEMBL3951811; CEP37440; (S)-2-((5-Chloro-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino)pyrimidin-4-yl)amino)-N-methylbenzamide; 2-(5-Chloro-2-{(S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-ylaminopyrimidin-4-ylamino)-N-methylbenzamide; 2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]pyrimidin-4-yl]amino]-N-methylbenzamide; Alk-fak inhibitor CEP-37440; 2-[(5-chloro-2-{[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino}pyrimidin-4-yl)amino]-N-methylbenzamide; GTPL9698; SCHEMBL15269443; EX-A1543; BDBM50193811; MFCD28009441; NSC781148; NSC800983; ZINC146905479; DB13060; NSC-781148; NSC-800983; compound 27b [PMID: 27527804]; Benzamide, 2-((5-chloro-2-(((6S)-6,7,8,9-tetrahydro-6-(4-(2-hydroxyethyl)-1-piperazinyl)-1-methoxy-5H-benzocyclohepten-2-yl)amino)-4-pyrimidinyl)amino)-N-methyl-; HY-15841; F13321; A886125; Q27285285; 2-[[5-Chloro-2-[[(6S)-6,7,8,9-tetrahydro-6-[4-(2-hydroxyethyl)-1-piperazinyl]-1-methoxy-5H-benzocyclohepten-2-yl]amino]-4-pyrimidinyl]amino]-N-methylbenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781148	.	.	.	.	580.1	C30H38ClN7O3	115	819	4.6	41	4	9	9	"InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1"	CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C4=C(C[C@H](CCC4)N5CCN(CC5)CCO)C=C3)OC	BCSHRERPHLTPEE-NRFANRHFSA-N
DG68154	Ravoxertinib	71727581	"Ravoxertinib; GDC-0994; 1453848-26-4; GDC0994; (S)-1-(1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one; UNII-R6AXV96CRH; R6AXV96CRH; RG-7842; 1-[(1S)-1-(4-CHLORO-3-FLUOROPHENYL)-2-HYDROXYETHYL]-4-{2-[(2-METHYLPYRAZOL-3-YL)AMINO]PYRIMIDIN-4-YL}PYRIDIN-2-ONE; 1-[(1~{s})-1-(4-Chloranyl-3-Fluoranyl-Phenyl)-2-Oxidanyl-Ethyl]-4-[2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]pyridin-2-One; 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one; 6QB; Ravoxertinib [INN]; Ravoxertinib [USAN]; Ravoxertinib (USAN/INN); Ravoxertinib [USAN:INN]; Ravoxertinib (GDC-0994); GTPL9229; CHEMBL3544964; SCHEMBL15245531; BDBM120095; AOB87103; BCP09668; EX-A1614; GDC 0994; 2428AH; MFCD28143918; NSC781343; NSC800104; s7554; ZINC144904566; ACN-034761; CCG-269131; CS-3704; DB15281; NSC-781343; NSC-800104; example 39 [WO2013130976]; NCGC00386401-02; (S)-1-(1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-(1-methyl-1H-pyrazol-5-ylamino)pyrimidin-4-yl)pyridin-2(1H)-one; AC-33149; AS-55994; HY-15947; B5817; J3.611.606D; D11285; US8697715, 39; Q27077782; (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-Me-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one; (S)-1-[1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methyl-5-pyrazolyl)amino]-4-pyrimidyl]-2(1H)-pyridone; 1-((1S)-1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)-4-pyrimidinyl)-2(1H)-pyridinone; 1-((1S)-1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin- 4-yl)pyridin-2(1H)-one; 2(1H)-Pyridinone, 1-((1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)-4-pyrimidinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781343	.	.	.	.	440.9	C21H18ClFN6O2	96.2	709	2	31	2	7	6	"InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1"	CN1C(=CC=N1)NC2=NC=CC(=N2)C3=CC(=O)N(C=C3)[C@H](CO)C4=CC(=C(C=C4)Cl)F	RZUOCXOYPYGSKL-GOSISDBHSA-N
DG68155	2-(2-Chloro-6-fluorophenyl)-5-((4-(morpholine-4-carbonyl)phenyl)amino)oxazole-4-carboxamide	71727668	"SAR-20347; 1450881-55-6; CHEMBL4476770; SAR20347; 2-(2-chloro-6-fluorophenyl)-5-((4-(morpholine-4-carbonyl)phenyl)amino)oxazole-4-carboxamide; 2-(2-Chloro-6-fluorophenyl)-5-[[4-(4-morpholinylcarbonyl)phenyl]amino]-4-oxazolecarboxamide; GTPL9803; SCHEMBL15224662; AMY16796; BCP19857; EX-A1368; BDBM50507817; NSC798517; SAR 20347; ZB1527; CS-7983; NSC-798517; SB17052; 2-(2-chloro-6-fluorophenyl)-5-[4-(morpholine-4-carbonyl)anilino]-1,3-oxazole-4-carboxamide; SAR20347;SAR 20347; NCGC00508873-02; BS-15430; HY-100895; F20782; 4-Oxazolecarboxamide, 2-(2-chloro-6-fluorophenyl)-5-[[4-(4-morpholinylcarbonyl)phenyl]amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798517	.	.	.	.	444.8	C21H18ClFN4O4	111	645	3.5	31	2	7	5	"InChI=1S/C21H18ClFN4O4/c22-14-2-1-3-15(23)16(14)19-26-17(18(24)28)20(31-19)25-13-6-4-12(5-7-13)21(29)27-8-10-30-11-9-27/h1-7,25H,8-11H2,(H2,24,28)"	C1COCCN1C(=O)C2=CC=C(C=C2)NC3=C(N=C(O3)C4=C(C=CC=C4Cl)F)C(=O)N	HEDPDFHTQKEORT-UHFFFAOYSA-N
DG68156	"N-(7-chloroquinolin-4-yl)-N'-(2-pyrrolidin-1-ylquinazolin-4-yl)ethane-1,2-diamine"	71735316	SCHEMBL16407232; NSC790651; NSC-790651	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790651	.	.	.	.	418.9	C23H23ClN6	66	544	5.4	30	2	6	6	"InChI=1S/C23H23ClN6/c24-16-7-8-17-19(9-10-25-21(17)15-16)26-11-12-27-22-18-5-1-2-6-20(18)28-23(29-22)30-13-3-4-14-30/h1-2,5-10,15H,3-4,11-14H2,(H,25,26)(H,27,28,29)"	C1CCN(C1)C2=NC3=CC=CC=C3C(=N2)NCCNC4=C5C=CC(=CC5=NC=C4)Cl	JWSXGMYFPQISND-UHFFFAOYSA-N
DG68157	"1H-Pyrazole-1-ethanol, 4-((5-((2,6-difluoro-3,5-dimethoxyphenyl)methoxy)-2-pyrimidinyl)amino)-"	71736582	"ASP5878; ASP-5878; 1453208-66-6; Asp 5878; UNII-C0Z095LL72; C0Z095LL72; 1453208-66-6 (free base); 2-(4-((5-((2,6-difluoro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-1H-pyrazol-1-yl)ethanol; 2-[4-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol; 2-[4-({5-[(2,6-difluoro-3,5-dimethoxybenzyl)oxy]pyrimidin-2-yl}amino)-1H-pyrazol-1-yl]ethanol; CHEMBL4594428; SCHEMBL15244449; GTPL11934; ASP 5878 [WHO-DD]; BCP24820; EX-A2488; NSC793677; s6539; NSC-793677; SB19625; compound 27 [PMID: 35219181]; BA166836; HY-19983; CS-0017707; J3.628.823J; N17013; 1H-Pyrazole-1-ethanol, 4-((5-((2,6-difluoro-3,5-dimethoxyphenyl)methoxy)-2-pyrimidinyl)amino)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	793677	.	.	.	.	407.4	C18H19F2N5O4	104	473	1.2	29	2	10	9	"InChI=1S/C18H19F2N5O4/c1-27-14-5-15(28-2)17(20)13(16(14)19)10-29-12-7-21-18(22-8-12)24-11-6-23-25(9-11)3-4-26/h5-9,26H,3-4,10H2,1-2H3,(H,21,22,24)"	COC1=CC(=C(C(=C1F)COC2=CN=C(N=C2)NC3=CN(N=C3)CCO)F)OC	VDZZYOJYLLNBTD-UHFFFAOYSA-N
DG68158	7-chloro-N-[2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine	71736922	SCHEMBL16405645; NSC782757; NSC-782757	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782757	.	.	.	.	438	C23H28ClN7	60.4	552	4	31	1	7	6	"InChI=1S/C23H28ClN7/c24-18-3-4-19-20(5-7-25-21(19)17-18)26-9-12-29-13-15-30(16-14-29)22-6-8-27-23(28-22)31-10-1-2-11-31/h3-8,17H,1-2,9-16H2,(H,25,26)"	C1CCN(C1)C2=NC=CC(=N2)N3CCN(CC3)CCNC4=C5C=CC(=CC5=NC=C4)Cl	ZDDVUJHMTWPONQ-UHFFFAOYSA-N
DG68159	"(1R,2R,3E,7S,11E,13S,15S)-7-ethyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one"	71761859	CHEMBL2402343; NSC755268; NSC-755268	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755268	.	.	.	.	294.4	C17H26O4	66.8	402	2.5	21	2	4	1	"InChI=1S/C17H26O4/c1-2-14-7-5-3-4-6-12-10-13(18)11-15(12)16(19)8-9-17(20)21-14/h4,6,8-9,12-16,18-19H,2-3,5,7,10-11H2,1H3/b6-4+,9-8+/t12-,13+,14+,15-,16-/m1/s1"	CC[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O1)O)O	UAXNYZPENRXDKY-MAPQJVESSA-N
DG68160	NSC763494	71761860	"(1R,2E,6R,10E,11aS,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-(trifluoromethyl)-4H-cyclopenta[f]oxacyclotridecin-4-one; CHEMBL2402344; NSC763494; NSC-763494; (1R,2E,6R,10E,11aS,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-(trifluoromethyl)-4H-cyclopenta[f]oxacyclotridecin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763494	.	.	.	.	334.33	C16H21F3O4	66.8	472	2.8	23	2	7	0	"InChI=1S/C16H21F3O4/c17-16(18,19)14-5-3-1-2-4-10-8-11(20)9-12(10)13(21)6-7-15(22)23-14/h2,4,6-7,10-14,20-21H,1,3,5,8-9H2/b4-2+,7-6+/t10-,11+,12-,13-,14-/m1/s1"	C1C/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O[C@H](C1)C(F)(F)F)O)O	XNYHWEVYDZHFQM-OMKKRTLHSA-N
DG68161	NSC758119	71762092	"(1R,2E,6S,10E,11aS,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-vinyl-4H-cyclopenta[f]oxacyclotridecin-4-one; CHEMBL2402346; NSC758119; NSC-758119; (1R,2E,6S,10E,11aS,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-vinyl-4H-cyclopenta[f]oxacyclotridecin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758119	.	.	.	.	292.4	C17H24O4	66.8	427	2.3	21	2	4	1	"InChI=1S/C17H24O4/c1-2-14-7-5-3-4-6-12-10-13(18)11-15(12)16(19)8-9-17(20)21-14/h2,4,6,8-9,12-16,18-19H,1,3,5,7,10-11H2/b6-4+,9-8+/t12-,13+,14-,15-,16-/m1/s1"	C=C[C@@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O1)O)O	WELPQYPQVLEGSI-IPMAJPOHSA-N
DG68162	"(1R,2R,3E,7R,11E,13S,15S)-2,15-dihydroxy-7-(hydroxymethyl)-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one"	71762976	CHEMBL2402352; NSC761154; NSC-761154	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761154	.	.	.	.	296.36	C16H24O5	87	404	1	21	3	5	1	"InChI=1S/C16H24O5/c17-10-13-5-3-1-2-4-11-8-12(18)9-14(11)15(19)6-7-16(20)21-13/h2,4,6-7,11-15,17-19H,1,3,5,8-10H2/b4-2+,7-6+/t11-,12+,13-,14-,15-/m1/s1"	C1C/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O[C@H](C1)CO)O)O	JJVIADUWPHPPMN-OLQAYZGXSA-N
DG68163	NSC757946	71763189	"(1R,2E,6R,10E,11aS,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-(2-hydroxyethyl)-4H-cyclopenta[f]oxacyclotridecin-4-one; CHEMBL2402353; NSC757946; NSC-757946; (1R,2E,6R,10E,11aS,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-(2-hydroxyethyl)-4H-cyclopenta[f]oxacyclotridecin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757946	.	.	.	.	310.4	C17H26O5	87	417	1.3	22	3	5	2	"InChI=1S/C17H26O5/c18-9-8-14-5-3-1-2-4-12-10-13(19)11-15(12)16(20)6-7-17(21)22-14/h2,4,6-7,12-16,18-20H,1,3,5,8-11H2/b4-2+,7-6+/t12-,13+,14-,15-,16-/m1/s1"	C1C/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O[C@H](C1)CCO)O)O	BRRPMHYWWKCDRQ-HKNYPKJUSA-N
DG68164	"(1R,2R,3E,7R,11E,13S,15S)-2,15-dihydroxy-7-(2-methoxyethyl)-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one"	71763191	CHEMBL2402354; NSC757948; NSC-757948	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757948	.	.	.	.	324.4	C18H28O5	76	431	1.9	23	2	5	3	"InChI=1S/C18H28O5/c1-22-10-9-15-6-4-2-3-5-13-11-14(19)12-16(13)17(20)7-8-18(21)23-15/h3,5,7-8,13-17,19-20H,2,4,6,9-12H2,1H3/b5-3+,8-7+/t13-,14+,15-,16-,17-/m1/s1"	COCC[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O1)O)O	YRNWYOCZYBQCDE-QFUPPCKTSA-N
DG68165	"(1R,2R,3E,7R,11E,13S,15S)-2,15-dihydroxy-7-(2-phenylmethoxyethyl)-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one"	71763192	CHEMBL2402355; NSC757949; NSC-757949	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757949	.	.	.	.	400.5	C24H32O5	76	552	3.4	29	2	5	5	"InChI=1S/C24H32O5/c25-20-15-19-9-5-2-6-10-21(13-14-28-17-18-7-3-1-4-8-18)29-24(27)12-11-23(26)22(19)16-20/h1,3-5,7-9,11-12,19-23,25-26H,2,6,10,13-17H2/b9-5+,12-11+/t19-,20+,21-,22-,23-/m1/s1"	C1C/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O[C@H](C1)CCOCC3=CC=CC=C3)O)O	NNPOPIWCZIERSZ-DJLXOVMMSA-N
DG68166	"(1R,2R,3E,7R,11E,13S,15S)-7-acetyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one"	71763423	CHEMBL2402356; NSC761152; NSC-761152	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761152	.	.	.	.	308.4	C17H24O5	83.8	468	1.4	22	2	5	1	"InChI=1S/C17H24O5/c1-11(18)16-6-4-2-3-5-12-9-13(19)10-14(12)15(20)7-8-17(21)22-16/h3,5,7-8,12-16,19-20H,2,4,6,9-10H2,1H3/b5-3+,8-7+/t12-,13+,14-,15-,16-/m1/s1"	CC(=O)[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O1)O)O	BLCXAFCYAIGVSN-UZJNVPNJSA-N
DG68167	"N-[4-[2-[(1R,2R,3E,7R,11E,13S,15S)-2,15-dihydroxy-5-oxo-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-7-yl]ethyl]phenyl]acetamide"	71763425	CHEMBL2402357; NSC762149; NSC-762149	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762149	.	.	.	.	427.5	C25H33NO5	95.9	652	3.1	31	3	5	4	"InChI=1S/C25H33NO5/c1-17(27)26-20-10-7-18(8-11-20)9-12-22-6-4-2-3-5-19-15-21(28)16-23(19)24(29)13-14-25(30)31-22/h3,5,7-8,10-11,13-14,19,21-24,28-29H,2,4,6,9,12,15-16H2,1H3,(H,26,27)/b5-3+,14-13+/t19-,21+,22-,23-,24-/m1/s1"	CC(=O)NC1=CC=C(C=C1)CC[C@H]2CCC/C=C/[C@@H]3C[C@@H](C[C@H]3[C@@H](/C=C/C(=O)O2)O)O	QYMLLLAINXDCQI-XBYDYZNLSA-N
DG68168	NSC761150	71763649	"(1R,2E,6R,10E,11aS,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-[2-(1-naphthyl)ethyl]-4H-cyclopenta[f]oxacyclotridecin-4-one; CHEMBL2402348; NSC761150; NSC-761150; (1R,2E,6R,10E,11aS,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-[2-(1-naphthyl)ethyl]-4H-cyclopenta[f]oxacyclotridecin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761150	.	.	.	.	420.5	C27H32O4	66.8	641	5.2	31	2	4	3	"InChI=1S/C27H32O4/c28-22-17-21-8-2-1-3-11-23(31-27(30)16-15-26(29)25(21)18-22)14-13-20-10-6-9-19-7-4-5-12-24(19)20/h2,4-10,12,15-16,21-23,25-26,28-29H,1,3,11,13-14,17-18H2/b8-2+,16-15+/t21-,22+,23-,25-,26-/m1/s1"	C1C/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O[C@H](C1)CCC3=CC=CC4=CC=CC=C43)O)O	MJJBGCXYQKBMCD-QFAKEOTJSA-N
DG68169	NSC762150	71763652	"(1R,2E,6R,10E,11aS,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-[2-[4-(trifluoromethyl)phenyl]ethyl]-4H-cyclopenta[f]oxacyclotridecin-4-one; CHEMBL2402351; NSC762150; NSC-762150; (1R,2E,6R,10E,11aS,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-[2-[4-(trifluoromethyl)phenyl]ethyl]-4H-cyclopenta[f]oxacyclotridecin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762150	.	.	.	.	438.5	C24H29F3O4	66.8	637	4.8	31	2	7	3	"InChI=1S/C24H29F3O4/c25-24(26,27)18-9-6-16(7-10-18)8-11-20-5-3-1-2-4-17-14-19(28)15-21(17)22(29)12-13-23(30)31-20/h2,4,6-7,9-10,12-13,17,19-22,28-29H,1,3,5,8,11,14-15H2/b4-2+,13-12+/t17-,19+,20-,21-,22-/m1/s1"	C1C/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O[C@H](C1)CCC3=CC=C(C=C3)C(F)(F)F)O)O	BVKHRFLVYOCGMF-JDGPEGMASA-N
DG68170	"6-(3,4-Dimethoxybenzyl)-8-(3,4,5-trimethoxyphenyl)-4,5-dihydro-6H-1-oxa-2,6,7-triaza-as-indacene"	71769022	"NSC760263; NSC-760263; 6-(3,4-Dimethoxybenzyl)-8-(3,4,5-trimethoxyphenyl)-4,5-dihydro-6H-1-oxa-2,6,7-triaza-as-indacene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760263	.	.	.	.	477.5	C26H27N3O6	90	674	3.8	35	0	8	8	"InChI=1S/C26H27N3O6/c1-30-19-9-6-15(10-20(19)31-2)14-29-18-8-7-16-13-27-35-25(16)23(18)24(28-29)17-11-21(32-3)26(34-5)22(12-17)33-4/h6,9-13H,7-8,14H2,1-5H3"	COC1=C(C=C(C=C1)CN2C3=C(C4=C(CC3)C=NO4)C(=N2)C5=CC(=C(C(=C5)OC)OC)OC)OC	LGHKDCDXOYHZLA-UHFFFAOYSA-N
DG68171	"(E)-3-(2-Ethyl-6-fluoro-4-oxo-3-phenethyl-3,4-dihydroquinazoline-7-yl)-N-hydroxyacrylamide"	71811294	"CHEMBL2425967; SCHEMBL15301630; SCHEMBL15301632; NSC787278; NSC-787278; (E)-3-(2-Ethyl-6-fluoro-4-oxo-3-phenethyl-3,4-dihydroquinazoline-7-yl)-N-hydroxyacrylamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787278	.	.	.	.	381.4	C21H20FN3O3	82	630	2.6	28	2	5	6	"InChI=1S/C21H20FN3O3/c1-2-19-23-18-12-15(8-9-20(26)24-28)17(22)13-16(18)21(27)25(19)11-10-14-6-4-3-5-7-14/h3-9,12-13,28H,2,10-11H2,1H3,(H,24,26)/b9-8+"	CCC1=NC2=C(C=C(C(=C2)/C=C/C(=O)NO)F)C(=O)N1CCC3=CC=CC=C3	RGKDACUEVSPDNA-CMDGGOBGSA-N
DG68172	"N2-(4-amino-cyclohexyl)-9-cyclopentyl-N6-(6-thiophen-2-yl-pyridin-3-ylmethyl)-9H-purine-2,6-diamine"	71817796	"CHEMBL2403096; SCHEMBL15947167; BDBM50437241; NSC787978; NSC-787978; 1448338-20-2; N2-(4-amino-cyclohexyl)-9-cyclopentyl-N6-(6-thiophen-2-yl-pyridin-3-ylmethyl)-9H-purine-2,6-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787978	.	.	.	.	488.7	C26H32N8S	135	670	4.1	35	3	8	7	"InChI=1S/C26H32N8S/c27-18-8-10-19(11-9-18)31-26-32-24(23-25(33-26)34(16-30-23)20-4-1-2-5-20)29-15-17-7-12-21(28-14-17)22-6-3-13-35-22/h3,6-7,12-14,16,18-20H,1-2,4-5,8-11,15,27H2,(H2,29,31,32,33)"	C1CCC(C1)N2C=NC3=C(N=C(N=C32)NC4CCC(CC4)N)NCC5=CN=C(C=C5)C6=CC=CS6	AJNPHCMZNHMLAQ-UHFFFAOYSA-N
DG68173	Asciminib	72165228	"asciminib; 1492952-76-7; ABL-001; ABL001; Asciminib free base; ABL001-NX; NVP-ABL001; UNII-L1F3R18W77; Example 9; L1F3R18W77; 1492952-76-7 (free base); (R)-N-(4-(Chlorodifluoromethoxy)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)nicotinamide; N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide; Scemblix; 3-Pyridinecarboxamide, N-(4-(chlorodifluoromethoxy)phenyl)-6-((3R)-3-hydroxy-1-pyrrolidinyl)-5-(1H-pyrazol-3-yl)-; 3-Pyridinecarboxamide, N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(1H-pyrazol-3-yl)-; Asciminib [USAN]; Asciminib (ABL001); Asciminib (USAN/INN); GTPL8962; CHEMBL4208229; SCHEMBL15388306; TQP0925; EX-A3030; BDBM50459091; NSC789925; s8555; ZINC150275965; AT30330; CCG-269232; compound 1 [PMID: 30137981]; CS-7655; DB12597; NSC-789925; (R)-N- (4-(chlorodifluoromethoxy)phenyl)- 6-(3- hydroxypyrrolidin-1- yl)-5- (1H-pyrazol- 5-yl)nicotinamide; BA166957; BS-15538; HY-104010; D11403; A910986; Q27074535; (R)-N-(4-(Chloro difluoromethoxy)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)nicotinamide; (R)-N-(4-(Chlorodifluoromethoxy)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-3-yl)nicotinamide; AY7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789925	.	.	.	.	449.8	C20H18ClF2N5O3	103	626	3	31	3	8	6	"InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30)/t14-/m1/s1"	C1CN(C[C@@H]1O)C2=C(C=C(C=N2)C(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)C4=CC=NN4	VOVZXURTCKPRDQ-CQSZACIVSA-N
DG68174	(R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile	72165232	"CCT245737; 1489389-18-5; CCT-245737; UNII-QB6LNL4NF6; QB6LNL4NF6; SRA737; (R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile; GTPL9187; CHEMBL4169078; SCHEMBL15392098; SRA-737 [WHO-SDG]; US9663503, Compound 1; PNT-737; SRA-737; BDBM328993; SRA737; PNT-737; EX-A1607; MFCD30489721; NSC793726; ZINC205442186; CCG-268393; compound 4 [PMID: 27167172]; CS-5863; NSC-793726; BS-15458; HY-18958; J3.603.159J; Q27075794; (R)5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile; (R)a -((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile; 2-Pyrazinecarbonitrile, 5-((4-(((2R)-2-morpholinylmethyl)amino)-5-(trifluoromethyl)-2-pyridinyl)amino)-; 5-[(4-{[(2R)-morpholin-2-ylmethyl]amino}-5-(trifluoromethyl)pyridin-2-yl)amino]pyrazine-2-carbonitrile; 5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)-2-pyridyl]amino]pyrazine-2-carbonitrile; 5-[[4-[[(2R)-Morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyridin-2-yl]amino]pyrazine-2-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	793726	.	.	.	.	379.34	C16H16F3N7O	108	526	1.1	27	3	11	5	"InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m1/s1"	C1CO[C@H](CN1)CNC2=CC(=NC=C2C(F)(F)F)NC3=NC=C(N=C3)C#N	YBYYWUUUGCNAHQ-LLVKDONJSA-N
DG68175	"4-(4-thieno[2,3-d]pyrimidinylamino)-N-(4-((4-methyl-1-piperazinyl)methyl)phenyl)-1H-3-pyrazole carboxamide"	72194525	"CHEMBL4075720; SCHEMBL17329005; BDBM50270298; NSC781142; NSC-781142; 4-(4-thieno[2,3-d]pyrimidinylamino)-N-(4-((4-methyl-1-piperazinyl)methyl)phenyl)-1H-3-pyrazole carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781142	.	.	.	.	448.5	C22H24N8OS	130	625	3.1	32	3	8	6	"InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)"	CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=C5C=CSC5=NC=N4	UDVJBRYBBSVDDS-UHFFFAOYSA-N
DG68176	"4-(4-thieno[2,3-d]pyrimidinylamino)-N-(4-((4-morpholinyl)methyl)phenyl)-1H-3-pyrazolecarboxamide"	72194526	"CHEMBL4077074; SCHEMBL17329036; BDBM50270306; NSC781141; NSC-781141; 4-(4-thieno[2,3-d]pyrimidinylamino)-N-(4-((4-morpholinyl)methyl)phenyl)-1H-3-pyrazolecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781141	.	.	.	.	435.5	C21H21N7O2S	136	600	2.9	31	3	8	6	"InChI=1S/C21H21N7O2S/c29-20(25-15-3-1-14(2-4-15)12-28-6-8-30-9-7-28)18-17(11-24-27-18)26-19-16-5-10-31-21(16)23-13-22-19/h1-5,10-11,13H,6-9,12H2,(H,24,27)(H,25,29)(H,22,23,26)"	C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=C5C=CSC5=NC=N4	WTKYHVUVQSLNBW-UHFFFAOYSA-N
DG68177	"N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide"	72195175	"FN-1501; 1429515-59-2; CHEMBL4077071; UNII-6MC966B505; 6MC966B505; N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide; TQR1001; BDBM50270304; NSC781143; NSC-781143; HY-111361; CS-0039834; 4-((7H-Pyrrolo (2,3-d)pyrimidin-4-yl)amino)-N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-1H-pyrazole-3-carboxamide; 4-((7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-1H-pyrazole-5-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781143	.	.	.	.	431.5	C22H25N9O	118	621	2.2	32	4	7	6	"InChI=1S/C22H25N9O/c1-30-8-10-31(11-9-30)13-15-2-4-16(5-3-15)27-22(32)19-18(12-26-29-19)28-21-17-6-7-23-20(17)24-14-25-21/h2-7,12,14H,8-11,13H2,1H3,(H,26,29)(H,27,32)(H2,23,24,25,28)"	CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5	VXLAKHWYGRKCGI-UHFFFAOYSA-N
DG68178	"5-Pyridin-2-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2(7),5-trien-3-one"	72196543	CHEMBL2375400; NSC764308; NSC-764308	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764308	.	.	.	.	311.4	C17H17N3OS	82.6	467	3.9	22	1	4	1	"InChI=1S/C17H17N3OS/c21-16-14-11-7-3-1-2-4-9-13(11)22-17(14)20-15(19-16)12-8-5-6-10-18-12/h5-6,8,10H,1-4,7,9H2,(H,19,20,21)"	C1CCCC2=C(CC1)C3=C(S2)N=C(NC3=O)C4=CC=CC=N4	NHSUAHWEMKDLEX-UHFFFAOYSA-N
DG68179	"5-Pyridin-4-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2(7),5-trien-3-one"	72196544	CHEMBL2375398; SCHEMBL14976783; NSC764316; ZINC96903272; NSC-764316	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764316	.	.	.	.	311.4	C17H17N3OS	82.6	461	3.6	22	1	4	1	"InChI=1S/C17H17N3OS/c21-16-14-12-5-3-1-2-4-6-13(12)22-17(14)20-15(19-16)11-7-9-18-10-8-11/h7-10H,1-6H2,(H,19,20,21)"	C1CCCC2=C(CC1)C3=C(S2)N=C(NC3=O)C4=CC=NC=C4	QYYCMPMKLOCUIQ-UHFFFAOYSA-N
DG68180	"(5-Pyridin-2-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2,4,6-tetraen-3-yl)hydrazine"	72196726	CHEMBL2375397; NSC764310; NSC-764310	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764310	.	.	.	.	325.4	C17H19N5S	105	395	4.1	23	2	6	2	"InChI=1S/C17H19N5S/c18-22-16-14-11-7-3-1-2-4-9-13(11)23-17(14)21-15(20-16)12-8-5-6-10-19-12/h5-6,8,10H,1-4,7,9,18H2,(H,20,21,22)"	C1CCCC2=C(CC1)C3=C(N=C(N=C3S2)C4=CC=CC=N4)NN	HNESEQPJRQZTBS-UHFFFAOYSA-N
DG68181	"4-(5-Pyridin-2-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2,4,6-tetraen-3-yl)morpholine"	72196728	CHEMBL2375395; NSC764313; NSC-764313	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764313	.	.	.	.	380.5	C21H24N4OS	79.4	489	4.6	27	0	6	2	"InChI=1S/C21H24N4OS/c1-2-4-9-17-15(7-3-1)18-20(25-11-13-26-14-12-25)23-19(24-21(18)27-17)16-8-5-6-10-22-16/h5-6,8,10H,1-4,7,9,11-14H2"	C1CCCC2=C(CC1)C3=C(N=C(N=C3S2)C4=CC=CC=N4)N5CCOCC5	BEHDFYFGWLKGJK-UHFFFAOYSA-N
DG68182	"3-(4-Methylpiperazin-1-yl)-5-pyridin-4-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2,4,6-tetraene"	72196731	CHEMBL2375391; NSC764312; NSC-764312	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764312	.	.	.	.	393.6	C22H27N5S	73.4	505	4.7	28	0	6	2	"InChI=1S/C22H27N5S/c1-26-12-14-27(15-13-26)21-19-17-6-4-2-3-5-7-18(17)28-22(19)25-20(24-21)16-8-10-23-11-9-16/h8-11H,2-7,12-15H2,1H3"	CN1CCN(CC1)C2=C3C4=C(CCCCCC4)SC3=NC(=N2)C5=CC=NC=C5	PBYZLFRAJAMZBA-UHFFFAOYSA-N
DG68183	"3-[4-(4-Methoxyphenyl)piperazin-1-yl]-5-pyridin-2-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2,4,6-tetraene"	72196913	CHEMBL2375388; NSC764320; NSC-764320	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764320	.	.	.	.	485.6	C28H31N5OS	82.6	668	6.5	35	0	7	4	"InChI=1S/C28H31N5OS/c1-34-21-13-11-20(12-14-21)32-16-18-33(19-17-32)27-25-22-8-4-2-3-5-10-24(22)35-28(25)31-26(30-27)23-9-6-7-15-29-23/h6-7,9,11-15H,2-5,8,10,16-19H2,1H3"	COC1=CC=C(C=C1)N2CCN(CC2)C3=C4C5=C(CCCCCC5)SC4=NC(=N3)C6=CC=CC=N6	UDCUJNQMCRRETB-UHFFFAOYSA-N
DG68184	"6-(4-Methylphenyl)-2-(4-methylsulfonylphenyl)-4,5-dihydropyridazin-3-one"	72375194	CHEMBL2419061; NSC762908; NSC-762908	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762908	.	.	.	.	342.4	C18H18N2O3S	75.2	592	2.3	24	0	4	3	"InChI=1S/C18H18N2O3S/c1-13-3-5-14(6-4-13)17-11-12-18(21)20(19-17)15-7-9-16(10-8-15)24(2,22)23/h3-10H,11-12H2,1-2H3"	CC1=CC=C(C=C1)C2=NN(C(=O)CC2)C3=CC=C(C=C3)S(=O)(=O)C	SFJNMJUBPDYINN-UHFFFAOYSA-N
DG68185	"6-(4-Ethylphenyl)-2-(4-methylsulfonylphenyl)-4,5-dihydropyridazin-3-one"	72375195	CHEMBL2419062; NSC762911; NSC-762911	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762911	.	.	.	.	356.4	C19H20N2O3S	75.2	607	2.7	25	0	4	4	"InChI=1S/C19H20N2O3S/c1-3-14-4-6-15(7-5-14)18-12-13-19(22)21(20-18)16-8-10-17(11-9-16)25(2,23)24/h4-11H,3,12-13H2,1-2H3"	CCC1=CC=C(C=C1)C2=NN(C(=O)CC2)C3=CC=C(C=C3)S(=O)(=O)C	ZQVMMGMYPDQECO-UHFFFAOYSA-N
DG68187	"(3E)-3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]-1H-indol-2-one"	72724457	NSC761116; NSC-761116	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761116	.	.	.	.	337.4	C22H15N3O	46.4	568	4.4	26	1	2	2	"InChI=1S/C22H15N3O/c26-22-17(16-10-4-5-11-18(16)23-22)14-19-21(15-8-2-1-3-9-15)24-20-12-6-7-13-25(19)20/h1-14H,(H,23,26)/b17-14+"	C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)/C=C/4\\C5=CC=CC=C5NC4=O	RRTSKFSSNXSRIR-SAPNQHFASA-N
DG68188	"(3E)-6-chloro-3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]-1H-indol-2-one"	72724591	NSC761130; NSC-761130	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761130	.	.	.	.	389.8	C22H13ClFN3O	46.4	635	5.2	28	1	3	2	"InChI=1S/C22H13ClFN3O/c23-14-6-9-16-17(22(28)25-18(16)11-14)12-19-21(13-4-7-15(24)8-5-13)26-20-3-1-2-10-27(19)20/h1-12H,(H,25,28)/b17-12+"	C1=CC2=NC(=C(N2C=C1)/C=C/3\\C4=C(C=C(C=C4)Cl)NC3=O)C5=CC=C(C=C5)F	NUXMVACUYNHGTN-SFQUDFHCSA-N
DG68189	"4-(1,6,11-Trioxo-2,3,4,12-tetrahydrobenzo[b]xanthen-12-yl)benzonitrile"	72725385	SCHEMBL15435873; NSC789274; NSC-789274	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789274	.	.	.	.	381.4	C24H15NO4	84.2	893	3.1	29	0	5	1	"InChI=1S/C24H15NO4/c25-12-13-8-10-14(11-9-13)19-20-17(26)6-3-7-18(20)29-24-21(19)22(27)15-4-1-2-5-16(15)23(24)28/h1-2,4-5,8-11,19H,3,6-7H2"	C1CC2=C(C(C3=C(O2)C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)C#N)C(=O)C1	GNRDJKFFIYBYIO-UHFFFAOYSA-N
DG68190	Umbralisib	72950888	"Umbralisib; 1532533-67-7; TGR-1202; rp-5264; TGR1202; RP5264; TGR 1202; TGR-1202 base; TGR-1202 free base; UNII-38073MQB2A; (S)-2-(1-(4-amino-3-(3-fluoro-4-isopropoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-6-fluoro-3-(3-fluorophenyl)-4H-chromen-4-one; 38073MQB2A; 2-[(1S)-1-[4-amino-3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-fluoro-3-(3-fluorophenyl)chromen-4-one; Ukoniq; Umbralisib [USAN]; Umbralisib (USAN/INN); GTPL8916; CHEMBL3948730; SCHEMBL15557416; TGR 1202 [WHO-DD]; BDBM184556; BCP24686; EX-A1645; MFCD28386165; NSC793696; NSC800405; s8194; example A1 [US2014011819]; ZINC141831516; CCG-270101; CS-5243; DB14989; NSC-793696; NSC-800405; RP 5264; AC-33183; AS-52257; HY-12279; US9150579, B1; D11322; P14656; A901657; Q27088612; (S)-2-(1-(4-amino-3-(3-fluoro-4-isopropoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-6-fluoro-3-(3-fluorophenyl)-4H-chromen-4-one;RP-5264; 2-((1S)-1-(4-Amino-3-(3-fluoro-4-(1-methylethoxy)phenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)ethyl)-6-fluoro-3-(3-fluorophenyl)-4H-1-benzopyran-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800405	.	.	.	.	571.5	C31H24F3N5O3	105	1020	5.8	42	1	10	6	"InChI=1S/C31H24F3N5O3/c1-15(2)41-24-9-7-18(12-22(24)34)27-26-30(35)36-14-37-31(26)39(38-27)16(3)29-25(17-5-4-6-19(32)11-17)28(40)21-13-20(33)8-10-23(21)42-29/h4-16H,1-3H3,(H2,35,36,37)/t16-/m0/s1"	C[C@@H](C1=C(C(=O)C2=C(O1)C=CC(=C2)F)C3=CC(=CC=C3)F)N4C5=NC=NC(=C5C(=N4)C6=CC(=C(C=C6)OC(C)C)F)N	IUVCFHHAEHNCFT-INIZCTEOSA-N
DG68191	PEDttHD	73014199	PEDttHD; CHEMBL4778465; NSC800814; NSC-800814; J3.548.848K; 2197126-32-0	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800814	.	.	.	.	472.6	C28H32N4O3	68.7	644	3.8	35	1	7	4	"InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3-"	C1CCN(C1)CCOC2=C3COC/C=C\\COCC4=CC(=CC=C4)C5=NC(=NC=C5)NC(=C3)C=C2	HWXVIOGONBBTBY-ARJAWSKDSA-N
DG68192	"(16E)-14-Methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene"	73014218	"937270-47-8; TG02 (Double bond Z/E); 1204918-72-8; (16E)-14-Methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene; TG02 (Double bond E); 14-methyl-20-oxa-5,7,14,27-tetraazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene; DTXSID50587492; NSC800879; ZINC95938323; NSC-800879; A859658; (16Z)-14-Methyl-20-oxa-5,7,14,27-tetraazatetracyclo[19.3.1.1~2,6~.1~8,12~]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800879	.	.	.	.	372.5	C23H24N4O	50.3	499	4.2	28	1	5	0	"InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2-"	CN1C/C=C\\CCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1	VXBAJLGYBMTJCY-IHWYPQMZSA-N
DG68193	NSC766056	73051088	"(3E,5E)-1-[[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methyl]-3,5-bis[(3,4-dimethoxyphenyl)methylidene]piperidin-4-one; SCHEMBL16769912; NSC766056; NSC-766056"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766056	.	.	.	.	681.2	C37H37ClN6O5	113	1090	5.3	49	1	10	12	"InChI=1S/C37H37ClN6O5/c1-46-33-9-5-24(17-35(33)48-3)15-26-20-43(21-27(37(26)45)16-25-6-10-34(47-2)36(18-25)49-4)22-29-23-44(42-41-29)14-13-40-31-11-12-39-32-19-28(38)7-8-30(31)32/h5-12,15-19,23H,13-14,20-22H2,1-4H3,(H,39,40)/b26-15+,27-16+"	COC1=C(C=C(C=C1)/C=C\\2/C(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/CN(C2)CC4=CN(N=N4)CCNC5=C6C(=NC=C5)C=C(C=C6)Cl)OC	VSFLSYUPVKPQAV-JQMRRPHZSA-N
DG68194	Relacorilant	73051463	"Relacorilant; 1496510-51-0; CORT125134; CORT-125134; CHEMBL4068611; UNII-2158753C7E; 2158753C7E; Methanone, [(4aR)-1-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-6-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-4aH-pyrazolo[3,4-g]isoquinolin-4a-yl][4-(trifluoromethyl)-2-pyridinyl]-; [(4aR)-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-[4-(trifluoromethyl)pyridin-2-yl]methanone; Methanone, ((4aR)-1-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-6-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-4ah-pyrazolo(3,4-g)isoquinolin-4a-yl)(4-(trifluoromethyl)-2-pyridinyl)-; Relacorilant [INN]; Relacorilant (USAN); Relacorilant [WHO-DD]; Relacorilant [USAN:INN]; Cort 125134; SCHEMBL15454999; EX-A4253; BDBM50265673; NSC812727; ZINC141949519; DB14976; NSC-812727; CORT 125134CORT 125134; HY-109042; CS-0031484; J3.651.009I; D11336; A936317; ((4aR)-1-(4-Fluorophenyl)-6-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-1,4,5,6,7,8-hexahydro-4aH-pyrazolo(3,4-g)isoquinolin-4a-yl)(4-(trifluoromethyl)-2-pyridinyl)methanone; ((4aR)-1-(4-fluorophenyl)-6-(1-methyl-1H-pyrazole-4-sulfonyl)-1,4,5,6,7,8-hexahydro-4aH-pyrazolo(3,4-g)isoquinolin-4a-yl)(4-(trifluoromethyl)pyridin-2-yl)methanone; (R)-(1-(4-Fluorophenyl)-6-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-1,4,5,6,7,8-hexahydro-4aH-pyrazolo[3,4-g]isoquinolin-4a-yl)(4-(trifluoromethyl)pyridin-2-yl)methanone; (R)-(1-(4-fluorophenyl)-6-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isoquinolin-4a-yl)(4-(trifluoromethyl)pyridin-2-yl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812727	.	.	.	.	586.6	C27H22F4N6O3S	111	1140	2.9	41	0	11	5	"InChI=1S/C27H22F4N6O3S/c1-35-15-22(14-33-35)41(39,40)36-9-7-18-11-24-17(13-34-37(24)21-4-2-20(28)3-5-21)12-26(18,16-36)25(38)23-10-19(6-8-32-23)27(29,30)31/h2-6,8,10-11,13-15H,7,9,12,16H2,1H3/t26-/m0/s1"	CN1C=C(C=N1)S(=O)(=O)N2CCC3=CC4=C(C[C@@]3(C2)C(=O)C5=NC=CC(=C5)C(F)(F)F)C=NN4C6=CC=C(C=C6)F	WANIDIGFXJFFEL-SANMLTNESA-N
DG68195	"2-N-(4-fluorophenyl)-4-N-(2-methyl-3-prop-2-enylbenzimidazol-5-yl)quinazoline-2,4-diamine"	73212772	CHEMBL3116070; NSC764770; NSC-764770	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764770	.	.	.	.	424.5	C25H21FN6	67.7	626	6.1	32	2	6	6	"InChI=1S/C25H21FN6/c1-3-14-32-16(2)27-22-13-12-19(15-23(22)32)28-24-20-6-4-5-7-21(20)30-25(31-24)29-18-10-8-17(26)9-11-18/h3-13,15H,1,14H2,2H3,(H2,28,29,30,31)"	CC1=NC2=C(N1CC=C)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)NC5=CC=C(C=C5)F	NVBPDZFQQPGTRB-UHFFFAOYSA-N
DG68196	"6-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine"	73265219	SCHEMBL19918218; NCGC00262376; NSC767163; NSC-767163; NCGC00262376-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767163	.	.	.	.	345.4	C19H19N7	82.9	475	2.4	26	3	5	4	"InChI=1S/C19H19N7/c1-2-16(25-18(3-1)24-15-6-7-20-10-15)17-11-21-19-5-4-13(12-26(17)19)14-8-22-23-9-14/h1-5,8-9,11-12,15,20H,6-7,10H2,(H,22,23)(H,24,25)/t15-/m1/s1"	C1CNC[C@@H]1NC2=CC=CC(=N2)C3=CN=C4N3C=C(C=C4)C5=CNN=C5	YERJPPBISXRGBC-OAHLLOKOSA-N
DG68197	Milademetan	73297272	"Milademetan; 1398568-47-2; DS-3032; UNII-R3I80TLN7S; R3I80TLN7S; MDM2 inhibitor DS-3032; CHEMBL4292264; SCHEMBL12527208; YFC56847; BDBM50467678; DS3032; NSC800893; DB15257; NSC-800893; HY-101266; CS-0021065; Q27896170; (3'R,4'S,5'R)-N-[(3R,6S)-6-carbamoyltetrahydro-2H-pyran-3-yl]-6''-chloro-4'-(2-chloro-3-fluoropyridin-4-yl)-4,4-dimethyl-2''-oxo-1'',2''-dihydrodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indole]-5'-carboxamide; 2,6-Anhydro-5-((((3'R,4'S,5'R)-6''-chloro-4'-(2-chloro-3-fluoro-4-pyridinyl)-1'',2''-dihydro-4,4-dimethyl-2''-oxodispiro(cyclohexane-1,2'-pyrrolidine-3',3''-(3H)indol)-5'-yl)carbonyl)amino)-3,4,5-trideoxy-L-erythro-hexonamide; L-Erythro-hexonamide, 2,6-anhydro-5-((((3'R,4'S,5'R)-6''-chloro-4'-(2-chloro-3-fluoro-4-pyridinyl)-1'',2''-dihydro-4,4-dimethyl-2''-oxodispiro(cyclohexane-1,2'-pyrrolidine-3',3''-(3H)indol)-5'-yl)carbonyl)amino)-3,4,5-trideoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800893	.	.	.	.	618.5	C30H34Cl2FN5O4	135	1090	3.4	42	4	7	4	"InChI=1S/C30H34Cl2FN5O4/c1-28(2)8-10-29(11-9-28)30(18-5-3-15(31)13-19(18)37-27(30)41)21(17-7-12-35-24(32)22(17)33)23(38-29)26(40)36-16-4-6-20(25(34)39)42-14-16/h3,5,7,12-13,16,20-21,23,38H,4,6,8-11,14H2,1-2H3,(H2,34,39)(H,36,40)(H,37,41)/t16-,20+,21+,23-,30-/m1/s1"	CC1(CCC2(CC1)[C@@]3([C@H]([C@@H](N2)C(=O)N[C@@H]4CC[C@H](OC4)C(=O)N)C5=C(C(=NC=C5)Cl)F)C6=C(C=C(C=C6)Cl)NC3=O)C	RYAYYVTWKAOAJF-QISPRATLSA-N
DG68198	NSC782125	73332466	"(R)-6-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)methyl)-5-(4'-(1-methyl-1H-pyrazol-4-yl)-[1,1'-biphenyl]-4-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one; CHEMBL4125752; JNJ-54302833; SCHEMBL15515905; BDBM50273812; NSC782125; NSC-782125; JNJ54302833; JNJ 54302833; (R)-6-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)methyl)-5-(4'-(1-methyl-1H-pyrazol-4-yl)-[1,1'-biphenyl]-4-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782125	.	.	.	.	493.6	C30H31N5O2	70.8	926	3.3	37	0	4	6	"InChI=1S/C30H31N5O2/c1-33-19-26(16-31-33)23-4-2-21(3-5-23)22-6-8-24(9-7-22)27-32-30(13-14-30)29(37)35(27)18-20-12-15-34(17-20)28(36)25-10-11-25/h2-9,16,19-20,25H,10-15,17-18H2,1H3/t20-/m1/s1"	CN1C=C(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=NC5(CC5)C(=O)N4C[C@@H]6CCN(C6)C(=O)C7CC7	VXNJFKPHXOAQEY-HXUWFJFHSA-N
DG68199	Unii-E53VN70K2X	73336238	"APG-1387; UNII-E53VN70K2X; E53VN70K2X; 1570231-89-8; SCHEMBL15490706; APG1387; a][1,5]diazocine-8-carboxamide); EX-A5180; NSC834197; NSC-834197; HY-125593; CS-0092417; phenylenedisulfonyl)bis(N-benzhydryl-5-((S)-2-; (methylamino)propanamido)-6-oxodecahydropyrrolo[1,2-; (5S,5'S,8S,8'S,10aR,10a'R)-3,3'-(1,3-; (S,5S,5'S,8S,8'S,10aR,10a'R)-3,3'-(1,3-Phenylenedisulfonyl)bis(N-benzhydryl-5-((S)-2-(methylamino)propanamido)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide); Pyrrolo(1,2-a)(1,5)diazocine-8-carboxamide, 3,3'-(1,3-phenylenebis(sulfonyl))bis(N-(diphenylmethyl)decahydro-5-(((2S)-2-(methylamino)-1-oxopropyl)amino)-6-oxo-, (5S,5'S,8S,8'S,10aR,10'ar)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	834197	.	.	.	.	1157.4	C60H72N10O10S2	273	2240	4.5	82	6	14	18	"InChI=1S/C60H72N10O10S2/c1-39(61-3)55(71)63-49-37-67(34-32-45-28-30-51(69(45)59(49)75)57(73)65-53(41-18-9-5-10-19-41)42-20-11-6-12-21-42)81(77,78)47-26-17-27-48(36-47)82(79,80)68-35-33-46-29-31-52(70(46)60(76)50(38-68)64-56(72)40(2)62-4)58(74)66-54(43-22-13-7-14-23-43)44-24-15-8-16-25-44/h5-27,36,39-40,45-46,49-54,61-62H,28-35,37-38H2,1-4H3,(H,63,71)(H,64,72)(H,65,73)(H,66,74)/t39-,40-,45+,46+,49-,50-,51-,52-/m0/s1"	C[C@@H](C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC(=CC=C5)S(=O)(=O)N6CC[C@H]7CC[C@H](N7C(=O)[C@H](C6)NC(=O)[C@H](C)NC)C(=O)NC(C8=CC=CC=C8)C9=CC=CC=C9)NC	AKLBERUGKZNEJY-RTEPGWBGSA-N
DG68200	NSC764906	73349440	"1-cyclopropyl-6-fluoro-4-oxo-7-[4-[2-oxo-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]anilino]ethyl]piperazin-1-yl]quinoline-3-carboxylic acid; CHEMBL2436064; NSC764906; NSC-764906"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764906	.	.	.	.	684.7	C37H37FN4O8	138	1290	2	50	2	12	12	"InChI=1S/C37H37FN4O8/c1-48-32-16-22(17-33(49-2)36(32)50-3)4-11-31(43)23-5-7-24(8-6-23)39-34(44)21-40-12-14-41(15-13-40)30-19-29-26(18-28(30)38)35(45)27(37(46)47)20-42(29)25-9-10-25/h4-8,11,16-20,25H,9-10,12-15,21H2,1-3H3,(H,39,44)(H,46,47)/b11-4+"	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F	KIEMZWYZHOUAKS-NYYWCZLTSA-N
DG68201	"2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-2-yl)pyridin-3-yl]methyl]purine-2,6-diamine"	73353575	CHEMBL2403094; SCHEMBL15940731; BDBM50437243; NSC787975; NSC-787975; 1448338-18-8	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787975	.	.	.	.	472.6	C26H32N8O	120	670	3.4	35	3	8	7	"InChI=1S/C26H32N8O/c27-18-8-10-19(11-9-18)31-26-32-24(23-25(33-26)34(16-30-23)20-4-1-2-5-20)29-15-17-7-12-21(28-14-17)22-6-3-13-35-22/h3,6-7,12-14,16,18-20H,1-2,4-5,8-11,15,27H2,(H2,29,31,32,33)"	C1CCC(C1)N2C=NC3=C(N=C(N=C32)NC4CCC(CC4)N)NCC5=CN=C(C=C5)C6=CC=CO6	MDEXMDFOZRJJIN-UHFFFAOYSA-N
DG68202	NSC764903	73357038	1-cyclopropyl-6-fluoro-4-oxo-7-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enoyl]anilino]ethyl]piperazin-1-yl]quinoline-3-carboxylic acid; CHEMBL2436058; NSC764903; NSC-764903	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764903	.	.	.	.	594.6	C34H31FN4O5	110	1150	2.1	44	2	9	9	"InChI=1S/C34H31FN4O5/c35-28-18-26-29(39(25-11-12-25)20-27(33(26)42)34(43)44)19-30(28)38-16-14-37(15-17-38)21-32(41)36-24-9-7-23(8-10-24)31(40)13-6-22-4-2-1-3-5-22/h1-10,13,18-20,25H,11-12,14-17,21H2,(H,36,41)(H,43,44)/b13-6+"	C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC(=O)NC5=CC=C(C=C5)C(=O)/C=C/C6=CC=CC=C6)F)C(=O)O	CISWBUKGCQINLS-AWNIVKPZSA-N
DG68203	"N8-[(2S)-3,3-dimethylbutan-2-yl]-N2-[2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine"	73386882	"1578244-34-4; N8-[(2S)-3,3-dimethylbutan-2-yl]-N2-[2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine; CCT-271850; compound 34h [PMID: 27055065]; 8-N-[(2S)-3,3-dimethylbutan-2-yl]-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine; Pyrido[3,4-d]pyrimidine-2,8-diamine, N2-[2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl]-N8-[(1S)-1,2,2-trimethylpropyl]-; GTPL9169; CHEMBL3809829; SCHEMBL15515099; BDBM241235; CCT271850; MFCD28963915; NSC789044; ZINC207617458; NSC-789044; example 77 [WO2014037750]; AS-53277; CS-0012732; J3.605.544H; P16275; US9409907, 77; Q27076574; (S)-N8-(3,3-Dimethylbutan-2-yl)-N2-(2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl)pyrido[3,4-d]pyrimidine-2,8-diamine; N-[2-Methoxy-4-(1-methyl-1H-pyrazole-4-yl)phenyl]-N'-[(S)-1,2,2-trimethylpropyl]pyrido[3,4-d]pyrimidine-2,8-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789044	.	.	.	.	431.5	C24H29N7O	89.8	599	4.7	32	2	7	7	"InChI=1S/C24H29N7O/c1-15(24(2,3)4)28-22-21-17(9-10-25-22)12-26-23(30-21)29-19-8-7-16(11-20(19)32-6)18-13-27-31(5)14-18/h7-15H,1-6H3,(H,25,28)(H,26,29,30)/t15-/m0/s1"	C[C@@H](C(C)(C)C)NC1=NC=CC2=CN=C(N=C21)NC3=C(C=C(C=C3)C4=CN(N=C4)C)OC	XTJZKALDRPVFSN-HNNXBMFYSA-N
DG68204	"N2-(2-Ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl)-6-methyl-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine"	73386890	"BOS-172722; 1578245-44-9; BOS172722; N2-(2-Ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl)-6-methyl-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine; 8-N-(2,2-dimethylpropyl)-2-N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine; CHEMBL3924132; SCHEMBL15515080; TQP0933; BDBM241338; EX-A4893; NSC809694; s8911; BOS 172722; DB15498; NSC-809694; BB167286; HY-112162; CS-0043580; US9409907, 182; FMW"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809694	.	.	.	.	446.5	C24H30N8O	103	616	4.3	33	2	8	8	"InChI=1S/C24H30N8O/c1-7-33-19-11-16(22-31-27-14-32(22)6)8-9-18(19)29-23-25-12-17-10-15(2)28-21(20(17)30-23)26-13-24(3,4)5/h8-12,14H,7,13H2,1-6H3,(H,26,28)(H,25,29,30)"	CCOC1=C(C=CC(=C1)C2=NN=CN2C)NC3=NC=C4C=C(N=C(C4=N3)NCC(C)(C)C)C	SGWLRDAOCLITOM-UHFFFAOYSA-N
DG68205	Bet-bay 002	73425805	"BET-BAY 002; 1588521-78-1; CHEMBL3785668; BET-BAY-002; SCHEMBL16963184; BAY-356; BDBM50158586; NSC785345; ZINC208973059; CS-3506; NSC-785345; NCGC00390670-01; HY-12421; B4821; A16368; A922367; (-)-(4R)-6-(4-chlorophenyl)-1-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4H-[1,2,4]triazolo[4,3-a][1]benzazepine; (4R)-6-(4-Chlorophenyl)-1-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4H-[1,2,4]triazolo[4,3-a][1]benzazepine; 2-[[(4R)-6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl]methyl]-5-methyl-1,3,4-oxadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785345	.	.	.	.	403.9	C22H18ClN5O	69.6	610	4.1	29	0	5	3	"InChI=1S/C22H18ClN5O/c1-13-24-27-22-16(12-21-26-25-14(2)29-21)11-19(15-7-9-17(23)10-8-15)18-5-3-4-6-20(18)28(13)22/h3-11,16H,12H2,1-2H3/t16-/m0/s1"	CC1=NN=C2N1C3=CC=CC=C3C(=C[C@H]2CC4=NN=C(O4)C)C5=CC=C(C=C5)Cl	AGYIAWHWIUZNSD-INIZCTEOSA-N
DG68206	Antitumor agent-3	73427118	"Antitumor Compound 1; 420126-30-3; Antitumor agent-3; VC-6303; PTC-691; [4-(2-Trifluoromethyl-imidazo[1,2-a]pyridin-3-yl)-thiazol-2-yl]-(4-trifluoromethyl-phenyl)-amine; PTC691; PTC 691; NSC782006; AKOS030260535; ZINC210522261; CS-3188; NSC-782006; NCGC00390655-01; HY-15961; C15779; 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782006	.	.	.	.	428.4	C18H10F6N4S	70.5	566	6.2	29	1	10	3	"InChI=1S/C18H10F6N4S/c19-17(20,21)10-4-6-11(7-5-10)25-16-26-12(9-29-16)14-15(18(22,23)24)27-13-3-1-2-8-28(13)14/h1-9H,(H,25,26)"	C1=CC2=NC(=C(N2C=C1)C3=CSC(=N3)NC4=CC=C(C=C4)C(F)(F)F)C(F)(F)F	KYPPJHVEENIEGO-UHFFFAOYSA-N
DG68207	N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide	73602827	"THZ1; 1604810-83-4; CDK7 inhibitor; THZ-1; HY-80013; CHEMBL3603847; N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide; (E)-N-(3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)phenyl)-4-(4-(dimethylamino)but-2-enamido)benzamide; Benzamide, N-[3-[[5-chloro-4-(1H-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-4-[[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]amino]-; THZ1 2HCl; THZ1 free base; THZ1 (free base or salt); GTPL8052; SCHEMBL14979765; SCHEMBL18229934; AOB6457; EX-A802; BCP10167; BDBM50110178; NSC825089; AKOS026674118; ZINC149984972; CS-3167; NSC-825089; NCGC00389590-03; NCGC00389590-05; AC-32933; A8882; J3.509.929H; A14192; A900294; J-690216; Q27088991; N-[3-[[4-(1H-Indole-3-yl)-5-chloropyrimidine-2-yl]amino]phenyl]-4-[[4-(dimethylamino)-2-butenoyl]amino]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	825089	.	.	.	.	566.1	C31H28ClN7O2	115	896	4.8	41	4	6	9	"InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+"	CN(C)C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl	OBJNFLYHUXWUPF-IZZDOVSWSA-N
DG68208	"5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide"	73603034	"GDC-0339; 1428569-85-0; UNII-2PRJ7DX38T; 2PRJ7DX38T; GDC0339; 5-amino-N-[5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide; 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide; KUV; CHEMBL3648680; SCHEMBL14801965; BDBM110706; NSC791495; ZINC169699294; CS-4775; NSC-791495; HY-16976; US8614206, 139; 5-Amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791495	.	.	.	.	465.5	C20H22F3N7OS	143	657	3	32	3	10	4	"InChI=1S/C20H22F3N7OS/c1-29-20(30-7-5-10(21)13(24)6-8-30)14(9-26-29)27-18(31)16-17(25)32-19(28-16)15-11(22)3-2-4-12(15)23/h2-4,9-10,13H,5-8,24-25H2,1H3,(H,27,31)/t10-,13-/m1/s1"	CN1C(=C(C=N1)NC(=O)C2=C(SC(=N2)C3=C(C=CC=C3F)F)N)N4CC[C@H]([C@@H](CC4)F)N	NHXVGMQFCYBLTL-ZWNOBZJWSA-N
DG68209	Unii-6lgr0ryy5Q	73776233	"SEL120-34A; UNII-6LGR0RYY5Q; 1609522-33-9; 6LGR0RYY5Q; CHEMBL4225966; 6,7-dibromo-5-methyl-2-piperazin-1-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene; CDK8-IN-2 free base; SEL120-34A free; SEL120-34A free base; SCHEMBL17106044; BCP30533; EX-A2929; SEL-120-34A; BDBM50459995; NSC805500; NSC-805500; AC-31560; HY-111388; CS-0040310; 4H-Imidazo(4,5,1-ij)quinoline, 7,8-dibromo-5,6-dihydro-9-methyl-2-(1-piperazinyl)-; SEL 120-34A; SEL-120-34A; SEL12034A; SEL 12034A; SEL-12034A"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805500	.	.	.	.	414.14	C15H18Br2N4	33.1	390	3.3	21	1	3	1	"InChI=1S/C15H18Br2N4/c1-9-11(16)12(17)10-3-2-6-21-14(10)13(9)19-15(21)20-7-4-18-5-8-20/h18H,2-8H2,1H3"	CC1=C2C3=C(CCCN3C(=N2)N4CCNCC4)C(=C1Br)Br	FSBMCTDYWXIBLM-UHFFFAOYSA-N
DG68210	"4,4'-(Decamethylenebisoxy)bisbenzamidine"	73892806	"CHEMBL3245413; SCHEMBL14599631; BDBM50010125; NSC797623; NSC-797623; 4,4'-(Decamethylenebisoxy)bisbenzamidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797623	.	.	.	.	410.6	C24H34N4O2	118	440	5.1	30	4	4	15	"InChI=1S/C24H34N4O2/c25-23(26)19-9-13-21(14-10-19)29-17-7-5-3-1-2-4-6-8-18-30-22-15-11-20(12-16-22)24(27)28/h9-16H,1-8,17-18H2,(H3,25,26)(H3,27,28)"	C1=CC(=CC=C1C(=N)N)OCCCCCCCCCCOC2=CC=C(C=C2)C(=N)N	MADWRMXDSAGCDJ-UHFFFAOYSA-N
DG68211	5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(methylsulfonimidoyl)methyl]pyridin-2-yl]pyridin-2-amine	74767009	1610358-53-6; 1610358-56-9; BAY-1251152; CHEMBL4756595; ( inverted exclamation markA)-BAY-1251152; (+/-)-BAY-1251152; ( inverted exclamation markA)-Enitociclib; (Inverted exclamation markA)-BAY-1251152; Enitociclib; 5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(methylsulfonimidoyl)methyl]pyridin-2-yl]pyridin-2-amine; ((2-((5-Fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)amino)pyridin-4-yl)methyl)(imino)(methyl)-l6-sulfanone; (+)-5-Fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(S-methylsulfonimidoyl)methyl]pyridin-2-yl]pyridin-2-amine; (S)-((2-((5-Fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)amino)pyridin-4-yl)methyl)(imino)(methyl)-l6-sulfanone; 1610358-59-2; BAY1251152; SCHEMBL15720569; 1610408-97-3; BCP29512; BCP33292; BDBM50553483; NSC802450; EX-A2674-1; HY-103019A; NSC-802450; (+)-BAY-1251152; (-)-BAY-1251152; CS-0028326; (+)-BAY-1251152; (+)-VIP152; BAY-1251152; BAY 1251152; BAY1251152; (-)-BAY-1251152;BAY-1251152; BAY 1251152; BAY1251152; (R)-((2-((5-Fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)amino)pyridin-4-yl)methyl)(imino)(methyl)-l6-sulfanone; (rac)-5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-{4-[(S-methylsulfonimidoyl)methyl]pyridin-2-yl}pyridin-2-amine; 1610408-96-2; 5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-{4-[(S-methylsulfonimidoyl)methyl]pyridin-2-yl}pyridin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	802450	.	.	.	.	404.4	C19H18F2N4O2S	96.3	619	4.2	28	2	8	6	"InChI=1S/C19H18F2N4O2S/c1-27-17-8-13(20)3-4-14(17)15-9-19(24-10-16(15)21)25-18-7-12(5-6-23-18)11-28(2,22)26/h3-10,22H,11H2,1-2H3,(H,23,24,25)"	COC1=C(C=CC(=C1)F)C2=CC(=NC=C2F)NC3=NC=CC(=C3)CS(=N)(=O)C	YZCUMZWULWOUMD-UHFFFAOYSA-N
DG68212	"13-(5,5-Diphenylpentyl)-5,6-dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium"	76318546	"CHEMBL3139954; NSC785288; NSC-785288; 13-(5,5-Diphenylpentyl)-5,6-dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785288	.	.	.	.	558.7	C37H36NO4+	40.8	824	8.9	42	0	4	9	"InChI=1S/C37H36NO4/c1-39-33-18-17-29-30(16-10-9-15-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26)36-31-22-35-34(41-24-42-35)21-27(31)19-20-38(36)23-32(29)37(33)40-2/h3-8,11-14,17-18,21-23,28H,9-10,15-16,19-20,24H2,1-2H3/q+1"	COC1=C(C2=C[N+]3=C(C4=CC5=C(C=C4CC3)OCO5)C(=C2C=C1)CCCCC(C6=CC=CC=C6)C7=CC=CC=C7)OC	VBDPGMXTTCNSBN-UHFFFAOYSA-N
DG68213	"4'-Methoxy-4-(3,4,5-trimethoxystyryl)chalcone"	76336511	"CHEMBL3132954; NSC768600; NSC-768600; 4'-Methoxy-4-(3,4,5-trimethoxystyryl)chalcone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768600	.	.	.	.	430.5	C27H26O5	54	600	5.8	32	0	5	9	"InChI=1S/C27H26O5/c1-29-23-14-12-22(13-15-23)24(28)16-11-20-7-5-19(6-8-20)9-10-21-17-25(30-2)27(32-4)26(18-21)31-3/h5-18H,1-4H3/b10-9+,16-11+"	COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)/C=C/C3=CC(=C(C(=C3)OC)OC)OC	JHZBWSMOTZRJHO-AKYRVGECSA-N
DG68214	13-Diphenylalkyl Berberine	76336682	"13-Diphenylalkyl Berberine; CHEMBL3139982; NSC785286; NSC-785286; Q27455362; 13-(4,4-Diphenylbutyl)-5,6-dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium; 13-(4,4-diphenylbutyl)-9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium; 50B"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785286	.	.	.	.	544.7	C36H34NO4+	40.8	808	8.4	41	0	4	8	"InChI=1S/C36H34NO4/c1-38-32-17-16-28-29(15-9-14-27(24-10-5-3-6-11-24)25-12-7-4-8-13-25)35-30-21-34-33(40-23-41-34)20-26(30)18-19-37(35)22-31(28)36(32)39-2/h3-8,10-13,16-17,20-22,27H,9,14-15,18-19,23H2,1-2H3/q+1"	COC1=C(C2=C[N+]3=C(C4=CC5=C(C=C4CC3)OCO5)C(=C2C=C1)CCCC(C6=CC=CC=C6)C7=CC=CC=C7)OC	GTWMZDSMZWCFBR-UHFFFAOYSA-N
DG68215	9-Diethylaminoethoxy-20(RS)-camptothecin hydrochloride	76412286	"NSC621686; NSC-621686; 9-Diethylaminoethoxy-20(RS)-camptothecin hydrochloride; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 10-[2-(diethylamino)ethoxy]-4-ethyl-4-hydroxy-, hydrochloride, (+-)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621686	.	.	.	.	463.5	C26H29N3O5	92.2	897	1.7	34	1	7	7	"InChI=1S/C26H29N3O5/c1-4-26(32)19-13-21-23-16(14-29(21)24(30)18(19)15-34-25(26)31)12-17-20(27-23)8-7-9-22(17)33-11-10-28(5-2)6-3/h7-9,12-13,32H,4-6,10-11,14-15H2,1-3H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5OCCN(CC)CC)N=C4C3=C2)O	OXWXREDKWIAILB-UHFFFAOYSA-N
DG68217	NSC763541	76853562	"(e)-Ethyl 9-(3,4,5-trimethoxybenzylidene)-5-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5h-thiazolo[2,3-b]quinazoline-3-carboxylate; NSC763541; NSC-763541; (e)-ethyl 9-(3,4,5-trimethoxybenzylidene)-5-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5h-thiazolo[2,3-b]quinazoline-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763541	.	.	.	.	608.7	C32H36N2O8S	123	1110	4.8	43	0	10	11	"InChI=1S/C32H36N2O8S/c1-8-42-31(35)22-17-43-32-33-27-19(12-18-13-23(36-2)29(40-6)24(14-18)37-3)10-9-11-21(27)28(34(22)32)20-15-25(38-4)30(41-7)26(16-20)39-5/h12-17,28H,8-11H2,1-7H3/b19-12+"	CCOC(=O)C1=CSC2=NC\\3=C(CCC/C3=C\\C4=CC(=C(C(=C4)OC)OC)OC)C(N12)C5=CC(=C(C(=C5)OC)OC)OC	MCTLUBIEHGQESO-XDHOZWIPSA-N
DG68218	NSC764022	76853564	"(e)-2-Methyl-10-(3,4,5-trimethoxybenzylidene)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[d]thiazolo[3,2-a]pyrimidine; NSC764022; NSC-764022; (e)-2-methyl-10-(3,4,5-trimethoxybenzylidene)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[d]thiazolo[3,2-a]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764022	.	.	.	.	564.7	C31H36N2O6S	96.3	999	5.3	40	0	8	8	"InChI=1S/C31H36N2O6S/c1-18-17-33-28(21-15-25(36-4)30(39-7)26(16-21)37-5)22-11-9-8-10-20(27(22)32-31(33)40-18)12-19-13-23(34-2)29(38-6)24(14-19)35-3/h12-17,28H,8-11H2,1-7H3/b20-12+"	CC1=CN2C(C3=C(/C(=C/C4=CC(=C(C(=C4)OC)OC)OC)/CCCC3)N=C2S1)C5=CC(=C(C(=C5)OC)OC)OC	JFNHKSJTHYDVHG-UDWIEESQSA-N
DG68219	"2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide"	76900353	NSC764032; NSC-764032	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764032	.	.	.	.	503.6	C26H25N5O4S	136	729	4.4	36	2	8	9	"InChI=1S/C26H25N5O4S/c1-17(30-33)18-9-12-20(13-10-18)27-24(32)16-36-26-29-28-25(31(26)21-7-5-4-6-8-21)19-11-14-22(34-2)23(15-19)35-3/h4-15,33H,16H2,1-3H3,(H,27,32)/b30-17-"	C/C(=N/O)/C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC	YHINFONOTQPRMK-LQNQUEJISA-N
DG68220	Pelcitoclax	76900653	Pelcitoclax; UNII-317UBD60ML; 317UBD60ML; 1619923-36-2; Pelcitoclax [INN]; CHEMBL4802151; SCHEMBL15872908; APG1252; APG 1252 [WHO-DD]; APG-1252; NSC835773; NSC-835773; HY-109185; CS-0116458; (R)-3-(1-(3-(4-(N-(4-(4-(3-(2-(4-chlorophenyl)-1-isopropyl-5-methyl-4-(methylsulfonyl)-1H-pyrrol-3-yl)-5-fluorophenyl)piperazin-1-yl)phenyl)sulfamoyl)-2-(trifluoromethylsulfonyl)phenylamino)-4-(phenylthio)butyl)piperidine-4-carbonyloxy)propylphosphonic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	835773	.	.	.	.	1281.9	C57H66ClF4N6O11PS4	275	2490	7.5	84	4	21	24	"InChI=1S/C57H66ClF4N6O11PS4/c1-38(2)68-39(3)55(82(4,73)74)53(54(68)40-11-13-43(58)14-12-40)42-33-44(59)35-48(34-42)67-29-27-66(28-30-67)47-17-15-45(16-18-47)64-84(77,78)50-19-20-51(52(36-50)83(75,76)57(60,61)62)63-46(37-81-49-9-6-5-7-10-49)23-26-65-24-21-41(22-25-65)56(69)79-31-8-32-80(70,71)72/h5-7,9-20,33-36,38,41,46,63-64H,8,21-32,37H2,1-4H3,(H2,70,71,72)/t46-/m1/s1"	CC1=C(C(=C(N1C(C)C)C2=CC=C(C=C2)Cl)C3=CC(=CC(=C3)F)N4CCN(CC4)C5=CC=C(C=C5)NS(=O)(=O)C6=CC(=C(C=C6)N[C@H](CCN7CCC(CC7)C(=O)OCCCP(=O)(O)O)CSC8=CC=CC=C8)S(=O)(=O)C(F)(F)F)S(=O)(=O)C	QIOCQCYXBYUYLH-YACUFSJGSA-N
DG68221	Arylquin-1	77014275	"Arylquin-1; Arylquin 1; 1630743-73-5; 3-(2-fluorophenyl)-7-N,7-N-dimethylquinoline-2,7-diamine; 3-(2-fluorophenyl)-N7,N7-dimethyl-2,7-quinolinediamine; SCHEMBL16739391; Arylquin 1, >=98% (HPLC); NSC783765; ZINC216492446; NSC-783765; J3.499.484F; 3-(2-Fluorophenyl)-N',N'-dimethylquinoline-2,7-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783765	.	.	.	.	281.33	C17H16FN3	42.2	349	3.7	21	1	4	2	"InChI=1S/C17H16FN3/c1-21(2)12-8-7-11-9-14(17(19)20-16(11)10-12)13-5-3-4-6-15(13)18/h3-10H,1-2H3,(H2,19,20)"	CN(C)C1=CC2=NC(=C(C=C2C=C1)C3=CC=CC=C3F)N	RHAQINSYYSNKKI-UHFFFAOYSA-N
DG68222	"8-(3-chloro-5-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one"	77050682	"CCT251545; 1661839-45-7; 8-(3-chloro-5-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one; CHEMBL3408213; 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one; CCT-251545; 8-{3-Chloro-5-[4-(1-Methyl-1h-Pyrazol-4-Yl)phenyl]pyridin-4-Yl}-2,8-Diazaspiro[4.5]decan-1-One; GTPL8945; SCHEMBL17113515; CHEBI:143114; AMY16654; BCP17378; EX-A2539; BDBM50073190; NSC784591; s7981; ZINC212373586; CCT 251545; CS-5359; NSC-784591; AC-31717; HY-12681; DB-119021; CCT 251545;CCT-251545; CCT-251545;CCT 251545; A902314; pyridin-4-yl}-2,8-diaza-spiro[4.5]decan-1-one; Q27075796; 8-{3-Chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)-phenyl]-; 2,8-Diazaspiro[4.5]decan-1-one, 8-[3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-; 4TV; 8-[3-Chloro-5-[4-(1-methyl-1H-pyrazole-4-yl)phenyl]-4-pyridyl]-2,8-diazaspiro[4.5]decane-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	784591	.	.	.	.	421.9	C23H24ClN5O	63	617	2.9	30	1	4	3	"InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)"	CN1C=C(C=N1)C2=CC=C(C=C2)C3=CN=CC(=C3N4CCC5(CCNC5=O)CC4)Cl	LBFYQISQYCGDDW-UHFFFAOYSA-N
DG68223	5-[(4-Propan-2-ylphenyl)methoxymethyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol	77108439	NSC782180; NSC-782180	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782180	.	.	.	.	390.5	C25H30N2O2	45.6	485	4.4	29	1	4	7	"InChI=1S/C25H30N2O2/c1-18(2)20-9-7-19(8-10-20)16-29-17-22-14-21(15-27-12-3-4-13-27)25(28)24-23(22)6-5-11-26-24/h5-11,14,18,28H,3-4,12-13,15-17H2,1-2H3"	CC(C)C1=CC=C(C=C1)COCC2=C3C=CC=NC3=C(C(=C2)CN4CCCC4)O	NNIPSBLMEGJOFO-UHFFFAOYSA-N
DG68224	Somcl-12-81	77461036	CHEMBL3357439; SOMCL-12-81; BDBM50044303; NSC780163; NSC-780163	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780163	.	.	.	.	475	C21H23ClN6O3S	148	719	3.4	32	4	8	8	"InChI=1S/C21H23ClN6O3S/c1-13(2)32(30,31)18-9-4-3-8-17(18)27-20-16(22)12-24-21(28-20)26-15-7-5-6-14(10-15)25-19(29)11-23/h3-10,12-13H,11,23H2,1-2H3,(H,25,29)(H2,24,26,27,28)"	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC(=CC=C3)NC(=O)CN	BDVGHJLTQZVVPA-UHFFFAOYSA-N
DG68228	Seviteronel	78357816	"Seviteronel; VT-464; 1610537-15-9; UNII-8S5OIN36X4; 8S5OIN36X4; (1S)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol; Seviteronel;VT464;VT 464; CHEMBL3264610; SCHEMBL23299702; NSC783294; NSC788846; ZINC139920592; CS-3139; DB12275; NSC-783294; NSC-788846; SB17087; NCGC00390672-01; 1H-1,2,3-Triazole-5-methanol, alpha-(6,7-bis(difluoromethoxy)-2-naphthalenyl)-alpha-(1-methylethyl)-, (alphaS)-; HY-15996; Q21098941; UNII-8S5OIN36X4 component ZBRAJOQFSNYJMF-SFHVURJKSA-N; (1S)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(1H-1,2,3-triazol-4-yl)propan-1-ol; (1S)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-1,2,3-triazol-4-yl)propan-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783294	.	.	.	.	399.3	C18H17F4N3O3	80.3	517	4.7	28	2	9	7	"InChI=1S/C18H17F4N3O3/c1-9(2)18(26,15-8-23-25-24-15)12-4-3-10-6-13(27-16(19)20)14(28-17(21)22)7-11(10)5-12/h3-9,16-17,26H,1-2H3,(H,23,24,25)/t18-/m0/s1"	CC(C)[C@](C1=CC2=CC(=C(C=C2C=C1)OC(F)F)OC(F)F)(C3=NNN=C3)O	ZBRAJOQFSNYJMF-SFHVURJKSA-N
DG68229	"5,5'-(Selenophene-2,5-diyl)bis(furan-2-carbaldehyde)"	85761448	"NSC773393; NSC-773393; 5,5'-(Selenophene-2,5-diyl)bis(furan-2-carbaldehyde)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773393	.	.	.	.	319.18	C14H8O4Se	60.4	316	.	19	0	4	4	InChI=1S/C14H8O4Se/c15-7-9-1-3-11(17-9)13-5-6-14(19-13)12-4-2-10(8-16)18-12/h1-8H	C1=C(OC(=C1)C2=CC=C([Se]2)C3=CC=C(O3)C=O)C=O	NGDSMNXQZDJGOO-UHFFFAOYSA-N
DG68230	[5-[5-[5-(Hydroxymethyl)furan-2-yl]selenophen-2-yl]furan-2-yl]methanol	85761449	NSC773392; NSC-773392	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773392	.	.	.	.	323.21	C14H12O4Se	66.7	273	.	19	2	4	4	"InChI=1S/C14H12O4Se/c15-7-9-1-3-11(17-9)13-5-6-14(19-13)12-4-2-10(8-16)18-12/h1-6,15-16H,7-8H2"	C1=C(OC(=C1)C2=CC=C([Se]2)C3=CC=C(O3)CO)CO	CLHWRMBDRODQSV-UHFFFAOYSA-N
DG68231	Vimseltinib	86267612	"Vimseltinib; DCC-3014; 1628606-05-2; UNII-PX9FTM69BF; PX9FTM69BF; DCC3014; 3-methyl-5-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyridin-4-yl]oxypyridin-2-yl]-2-(propan-2-ylamino)pyrimidin-4-one; 2-(isopropylamino)-3-methyl-5-(6-methyl-5-((2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl)oxy)pyridin-2-yl)pyrimidin-4(3H)-one; Vimseltinib [INN]; Vimseltinib [USAN]; SCHEMBL16047448; GTPL11190; EX-A4700; NSC828316; WHO 11443; DP-6865; NSC-828316; example 10 [WO2014145025A2]; HY-136256; CS-0121044; 3-Methyl-2-((1-methylethyl)amino)-5-(6-methyl-5-((2-(1-methyl-1H-pyrazol-4-yl)-4-pyridinyl)oxy)-2-pyridinyl)-4(3H)-pyrimidinone; 3-methyl-5-(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)-2-[(propan-2-yl)amino]pyrimidin-4(3H)-one; 4(3H)-Pyrimidinone, 3-methyl-2-((1-methylethyl)amino)-5-(6-methyl-5-((2-(1-methyl-1H-pyrazol-4-yl)-4-pyridinyl)oxy)-2-pyridinyl)-; Z6V"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	828316	.	.	.	.	431.5	C23H25N7O2	97.5	740	1.5	32	1	6	6	"InChI=1S/C23H25N7O2/c1-14(2)27-23-25-12-18(22(31)30(23)5)19-6-7-21(15(3)28-19)32-17-8-9-24-20(10-17)16-11-26-29(4)13-16/h6-14H,1-5H3,(H,25,27)"	CC1=C(C=CC(=N1)C2=CN=C(N(C2=O)C)NC(C)C)OC3=CC(=NC=C3)C4=CN(N=C4)C	TVGAHWWPABTBCX-UHFFFAOYSA-N
DG68232	NSC786959	86287635	"(E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl)acrylic acid; AZD9496; 1639042-08-2; AZD-9496; UNII-DA9P7LN909; DA9P7LN909; CHEMBL3623004; AZD 9496; (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl)acrylic acid; (E)-3-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid; AZD-9496 maleate; (E)-3-(3,5-Difluoro-4-((1r,3r)-2-(2-Fluoro-2- Methylpropyl)-3-Methyl-2,3,4,9-Tetrahydro-1h-Pyrido(3,4-B)indol-1-Yl)phenyl)acrylic Acid; (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid; 2-Propenoic acid, 3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-2,3,4,9-tetrahydro-3-methyl-1H-pyrido(3,4-b)indol-1-yl)phenyl)-, (2E)-; 2-Propenoic acid, 3-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-2,3,4,9-tetrahydro-3-methyl-1H-pyrido[3,4-b]indol-1-yl]phenyl]-, (2E)-; SCHEMBL16266273; SCHEMBL16266275; AMY16579; EX-A1326; BDBM50125052; MFCD28902195; NSC786959; s8372; ZINC219669733; CCG-269153; DB15138; NSC-786959; AC-29011; AS-75239; HY-12870; Selective estrogen receptor degrader AZD9496; F20788; Q27461938; (2E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-2,3,4,9-tetrahydro-3-methyl-1H-pyrido(3,4-b)indol-1-yl)phenyl)-2-propenoic acid; (2E)-3-{3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl]phenyl}prop-2-enoic acid; (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-methyl-2-fluoropropyl)-3-methyl-1,2,3,4-tetrahydro-beta-carboline-1-yl)phenyl)acrylic acid; KE9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	786959	.	.	.	.	442.5	C25H25F3N2O2	56.3	705	2.9	32	2	6	5	"InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1"	C[C@@H]1CC2=C([C@H](N1CC(C)(C)F)C3=C(C=C(C=C3F)/C=C/C(=O)O)F)NC4=CC=CC=C24	DFBDRVGWBHBJNR-BBNFHIFMSA-N
DG68233	NSC766905	86288942	"methyl (1R,9R,10S,11R,12R,13R,15S,20R)-11-acetyloxy-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6-triene-10-carboxylate; NSC766905; NSC-766905"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766905	.	.	.	.	793	C46H56N4O8	134	1730	4.7	58	2	11	10	"InChI=1S/C46H56N4O8/c1-8-26-16-27-20-45(41(52)56-6,37-30(24-49(21-26)22-27)29-12-10-11-13-34(29)47-37)33-18-32-35(19-36(33)55-5)48(4)39-44(32)14-15-50-23-28-17-31(28)43(9-2,38(44)50)40(58-25(3)51)46(39,54)42(53)57-7/h10-13,16,18-19,27-28,31,38-40,47,54H,8-9,14-15,17,20-24H2,1-7H3/t27-,28+,31+,38-,39+,40+,43+,44+,45-,46-/m0/s1"	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@]([C@@H]1C[C@@H]1C9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	NXMZRTZSMAMOFH-XRFSQDKESA-N
DG68234	Nedisertib	86292849	"nedisertib; peposertib; M3814; 1637542-33-6; MSC2490484A; UNII-GN429E725A; M-3814; GN429E725A; MSC-2490484A; (S)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol; (S)-(2-chloro-4-fluoro-5-(7-morpholinoquinazolin-4-yl)phenyl)(6-methoxypyridazin-3-yl)methanol; Nedisertib [INN]; M-3814(nedisertib); nedisertib (deleted INN); GTPL9766; CHEMBL4297629; SCHEMBL16235559; BDBM315715; EX-A1679; MFCD31619234; MSC 2490484A; NSC802822; NSC816960; US10172859, Example 136; MSC 2490484A [WHO-DD]; NSC-802822; NSC-816960; example 136 [WO2014183850]; HY-101570; CS-0021723; 3-Pyridazinemethanol, alpha-(2-chloro-4-fluoro-5-(7-(4-morpholinyl)-4-quinazolinyl)phenyl)-6-methoxy-, (alphaS)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	802822	.	.	.	.	481.9	C24H21ClFN5O3	93.5	662	2.8	34	1	9	5	"InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1"	COC1=NN=C(C=C1)[C@H](C2=C(C=C(C(=C2)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)F)Cl)O	MOWXJLUYGFNTAL-DEOSSOPVSA-N
DG68235	Eltanexor	86345880	"Eltanexor; KPT-8602; 1642300-52-4; UNII-Q59IQJ9NTK; Q59IQJ9NTK; KPT8602; (E)-3-(3-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-2-(pyrimidin-5-yl)acrylamide; (E)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-pyrimidin-5-ylprop-2-enamide; Eltanexor [INN]; Eltanexor [USAN]; Eltanexor [WHO-DD]; Eltanexor (USAN/INN); Eltanexor [USAN:INN]; KPT-8602; Eltanexor; CHEMBL4297623; SCHEMBL16324809; GTPL10037; EX-A2433; NSC794443; s8397; WHO 10496; CCG-268977; CS-5947; NSC-794443; BS-15585; HY-100423; C73170; D11499; (2E)-3-(3-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-2-(pyrimidin-5-yl)prop-2-enamide; 5-Pyrimidineacetamide, alpha-((3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)methylene)-, (alphaE)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794443	.	.	.	.	428.29	C17H10F6N6O	99.6	626	2.5	30	1	11	4	"InChI=1S/C17H10F6N6O/c18-16(19,20)11-1-9(2-12(3-11)17(21,22)23)15-27-8-29(28-15)6-13(14(24)30)10-4-25-7-26-5-10/h1-8H,(H2,24,30)/b13-6+"	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NN(C=N2)/C=C(\\C3=CN=CN=C3)/C(=O)N	JFBAVWVBLRIWHM-AWNIVKPZSA-N
DG68236	Bms-986142	86582336	"BMS-986142; 1643368-58-4; UNII-PJX9GH268R; BMS986142; PJX9GH268R; CHEMBL3900554; (7S)-3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide; (2S,5R,3S)-6-fluoro-5-(3-(8-fluoro-1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-2-methylphenyl)-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide; 6-Fluoro-5-(R)-(3-(S)-(8-Fluoro-1-Methyl-2,4-Dioxo-1,2-Dihydroquinazolin-3(4h)-Yl)-2-Methylphenyl)-2-(S)-(2-Hydroxypropan-2-Yl)-2,3,4,9-Tetrahydro-1h-Carbazole-8-Carboxamide; GTPL9857; SCHEMBL16319712; C32H30F2N4O4; BCP29622; EX-A2778; BDBM50194720; NSC828251; s8381; ZB1608; AT14636; BMS 986142; DB15291; NSC-828251; compound 14f [PMID: 27583770]; BB170197; HY-101856; CS-0022067; BMS 986142; BMS986142; J3.563.199B; (2S)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide; (2S,5R)-6-fluoro-5-(3-(8-fluoro-1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-2-methylphenyl)-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide; 73T"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	828251	.	.	.	.	572.6	C32H30F2N4O4	120	1090	4.4	42	3	6	4	"InChI=1S/C32H30F2N4O4/c1-15-17(7-6-10-24(15)38-30(40)19-8-5-9-21(33)28(19)37(4)31(38)41)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-23(18)36-27/h5-10,14,16,36,42H,11-13H2,1-4H3,(H2,35,39)/t16-/m0/s1"	CC1=C(C=CC=C1N2C(=O)C3=C(C(=CC=C3)F)N(C2=O)C)C4=C(C=C(C5=C4C6=C(N5)C[C@H](CC6)C(C)(C)O)C(=O)N)F	ZRYMMWAJAFUANM-INIZCTEOSA-N
DG68237	"4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1H-pyrrolo[2,3-b]pyridine"	86660217	"1352226-88-0; AZD-6738; SCHEMBL9978968; 4-{4-[(3R)-3-Methylmorpholin-4-yl]-6-[1-((S)-S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1H-pyrrolo[2,3-b]pyridine; NSC777638; AKOS037648696; NSC-777638; NCGC00387711-02; NCGC00387714-01; BS-15245; J3.535.991E; Mixture of diastereomers that includes AZD-6738; A936421; (S)-Imino(methyl)(1-(6-((R)-3-methylmorpholino)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl)cyclopropyl)-l6-sulfanone; 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1H-pyrrolo[2,3-b]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777638	.	.	.	.	412.5	C20H24N6O2S	116	724	2.6	29	2	7	4	"InChI=1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29 /m1/s1"	C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4	OHUHVTCQTUDPIJ-RNHBAAACSA-N
DG68238	Unii-LH1zty91OR	86661883	"AZD4320; UNII-LH1ZTY91OR; AZD-4320; LH1ZTY91OR; 1357576-48-7; SCHEMBL555169; CHEMBL3703600; GTPL11781; BDBM156378; EX-A3544; Example 3 [US9248140B2]; NSC812728; NSC-812728; HY-112416; CS-0046022; US9018381, 3; 4-(4-((R)-(4'-Chloro(1,1'-biphenyl)-2-yl)hydroxymethyl)-1-piperidinyl)-N-((4-(((1R)-3-((2-hydroxyethyl)methylamino)-1-((phenylthio)methyl)propyl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonyl)benzamide; 4-(4-((R)-(4'-chlorobiphenyl-2-yl)(hydroxy)methyl)piperidin-1-yl)-N-(4-((R)-4-((2-hydroxyethyl)(methyl)amino)-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonyl)benzamide; 4-[4-[(R)-[2-(4-chlorophenyl)phenyl]-hydroxymethyl]piperidin-1-yl]-N-[4-[[(2R)-4-[2-hydroxyethyl(methyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide; Benzamide, 4-(4-((R)-(4'-chloro(1,1'-biphenyl)-2-yl)hydroxymethyl)-1-piperidinyl)-N-((4-(((1R)-3-((2-hydroxyethyl)methylamino)-1-((phenylthio)methyl)propyl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812728	.	.	.	.	945.5	C45H48ClF3N4O7S3	198	1630	9.3	63	4	14	18	"InChI=1S/C45H48ClF3N4O7S3/c1-52(27-28-54)24-23-35(30-61-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)62(57,58)45(47,48)49)63(59,60)51-44(56)33-13-17-36(18-14-33)53-25-21-32(22-26-53)43(55)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,50,54-55H,21-28,30H2,1H3,(H,51,56)/t35-,43-/m1/s1"	CN(CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCC(CC4)[C@H](C5=CC=CC=C5C6=CC=C(C=C6)Cl)O)S(=O)(=O)C(F)(F)F)CCO	UNEJSHNDABUZNY-UJNHCCGESA-N
DG68240	NSC809972	86711931	"5-(5-methyl-1-(3-(4-(methylsulfonyl)piperidin-1-yl)benzyl)-1H-1,2,4-triazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole; 1570496-34-2; IACS-10759; IACS-010759; 5-(5-methyl-1-(3-(4-(methylsulfonyl)piperidin-1-yl)benzyl)-1H-1,2,4-triazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole; IACS-010759 free base; UNII-42W52V11DJ; IACS10759; 42W52V11DJ; 1570496-34-2 (free base); 5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole; IACS 10759; CHEMBL4778699; SCHEMBL15498716; BCP20596; EX-A1907; IACS 010759 - Bio-X; NSC809972; s8731; IACS 010759 [WHO-DD]; NSC-809972; AC-31606; BS-15465; HY-112037; CS-0042459; IACS-010759 (IACS-10759); C72972; Oxidative phosphorylation inhibitor IACS-010759; A936426; 4-Methanesulfonyl-1-{3-[(5-methyl-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-1,2,4-triazol-1-yl)methyl]phenyl}piperidine; Piperidine, 4-(methylsulfonyl)-1-(3-((5-methyl-3-(3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-1-yl)methyl)phenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809972	.	.	.	.	562.6	C25H25F3N6O4S	125	909	4.8	39	0	12	7	"InChI=1S/C25H25F3N6O4S/c1-16-29-23(24-30-22(32-38-24)18-6-8-20(9-7-18)37-25(26,27)28)31-34(16)15-17-4-3-5-19(14-17)33-12-10-21(11-13-33)39(2,35)36/h3-9,14,21H,10-13,15H2,1-2H3"	CC1=NC(=NN1CC2=CC(=CC=C2)N3CCC(CC3)S(=O)(=O)C)C4=NC(=NO4)C5=CC=C(C=C5)OC(F)(F)F	HWJWNWZJUYCGKV-UHFFFAOYSA-N
DG68241	NSC835776	86720912	"2-amino-6-fluoro-N-(5-fluoro-4-(4-(4-(oxetan-3-yl)piperazine-1-carbonyl)piperidin-1-yl)pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide; gartisertib; 1613191-99-3; VX-803; 2-amino-6-fluoro-N-(5-fluoro-4-(4-(4-(oxetan-3-yl)piperazine-1-carbonyl)piperidin-1-yl)pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide; M-4344; UNII-7OM98IUD1O; 7OM98IUD1O; M4344; VX803; VX-803 (M4344); 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide; ATR inhibitor 2; Gartisertib [INN]; CHEMBL4650286; SCHEMBL15769656; GTPL11647; BDBM412060; M 4344 [WHO-DD]; EX-A4348; MFCD31803930; NSC835776; s9639; NSC-835776; US10392391, Compound I-G-32; VX-803; M4344; ATR inhibitor 2; 2-Amino-6-fluoro-N-[5-fluoro-4-[4-[4-(3-oxetanyl)piperazine-1-carbonyl]-1-piperidyl]-3-pyridyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide; SY282745; HY-136270; CS-0122454; M 4344; A935054; 2-Amino-6-fluoro-N-(5-fluoro-4-(4-((4-(oxetan-3-yl)piperazin-1-yl)carbonyl)-1-piperidyl)-3-pyridyl)pyrazolo(1,5-a)pyrimidine-3-carboxamide; 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]-1-piperidyl]-3-pyridyl]pyrazolo pyrimidine-3-carboxamide; 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]-1-piperidyl]-3-pyridyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide; 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Computed by Lexi; Pyrazolo(1,5-a)pyrimidine-3-carboxamide, 2-amino-6-fluoro-N-(5-fluoro-4-(4-((4-(3-oxetanyl)-1-piperazinyl)carbonyl)-1-piperidinyl)-3-pyridinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	835776	.	.	.	.	541.6	C25H29F2N9O3	134	885	0.1	39	2	11	5	"InChI=1S/C25H29F2N9O3/c26-16-9-30-23-20(22(28)32-36(23)12-16)24(37)31-19-11-29-10-18(27)21(19)34-3-1-15(2-4-34)25(38)35-7-5-33(6-8-35)17-13-39-14-17/h9-12,15,17H,1-8,13-14H2,(H2,28,32)(H,31,37)"	C1CN(CCC1C(=O)N2CCN(CC2)C3COC3)C4=C(C=NC=C4NC(=O)C5=C6N=CC(=CN6N=C5N)F)F	QAYHKBLKSXWOEO-UHFFFAOYSA-N
DG68242	NSC798799	86763204	"2,4-Diamino-6-{[(S)-[5-Chloro-8-Fluoro-4-Oxo-3-(Pyridin-3-Yl)-3,4-Dihydroquinazolin-2-Yl](Cyclopropyl)methyl]amino}pyrimidine-5-Carbonitrile; GS-9901; U09Q76B8VK; UNII-U09Q76B8VK; 1640247-87-5; 2,4-Diamino-6-{[(S)-[5-Chloro-8-Fluoro-4-Oxo-3-(Pyridin-3-Yl)-3,4-Dihydroquinazolin-2-Yl](Cyclopropyl)methyl]amino}pyrimidine-5-Carbonitrile; CHEMBL3928407; SCHEMBL16293098; GS 9901 [WHO-DD]; BDBM198031; Gs 9901; GS9901; NSC798799; NSC-798799; J3.563.204B; US9221795, 27; 2,4-diamino-6-[[(S)-(5-chloro-8-fluoro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-cyclopropylmethyl]amino]pyrimidine-5-carbonitrile; 77C"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798799	.	.	.	.	477.9	C22H17ClFN9O	159	863	2.8	34	3	10	5	"InChI=1S/C22H17ClFN9O/c23-13-5-6-14(24)17-15(13)21(34)33(11-2-1-7-28-9-11)20(30-17)16(10-3-4-10)29-19-12(8-25)18(26)31-22(27)32-19/h1-2,5-7,9-10,16H,3-4H2,(H5,26,27,29,31,32)/t16-/m0/s1"	C1CC1[C@@H](C2=NC3=C(C=CC(=C3C(=O)N2C4=CN=CC=C4)Cl)F)NC5=NC(=NC(=C5C#N)N)N	XDSXYMOZKDUASY-INIZCTEOSA-N
DG68243	(S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol	87055263	"GDC-0927; 1642297-01-5; GDC-0927 free base; (S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol; UNII-ST9B0EMC0H; ST9B0EMC0H; 1642297-01-5 (free base); 2100830-77-9; (2S)-2-(4-{2-[3-(Fluoromethyl)-1-azetidinyl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol; (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol; (2S)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol; CHEMBL4447340; SCHEMBL16325181; GDC0927; SRN-927; US10227334, Example 3; BDBM368199; BCP29507; GDC 0927; MFCD31631581; NSC812902; AKOS037648960; AT13024; DB14934; NSC-812902; RG-6047; BG166429; BS-16112; HY-111484; CS-0042191; Q50825069; GDC 0927; GDC0927; SRN-927; SRN 927; SRN927; OGJ"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812902	.	.	.	.	461.5	C28H28FNO4	62.2	703	4.7	34	2	6	7	"InChI=1S/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3/t28-/m0/s1"	CC1=C([C@@H](OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CC(C4)CF)C5=CC(=CC=C5)O	KJAAPZIFCQQQKX-NDEPHWFRSA-N
DG68244	ONX-0914 TFA salt	89417058	ONX-0914  TFA salt; SCHEMBL14725823; NSC762152; NSC-762152	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762152	.	.	.	.	580.7	C31H40N4O7	139	928	1.9	42	3	8	14	"InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26 ,31+/m0/s1"	C[C@@H](C(=O)NC(CC1=CC=C(C=C1)OC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[C@]3(CO3)C)NC(=O)CN4CCOCC4	WQAVPPWWLLVGFK-UPRQWNBRSA-N
DG68245	Akt-IN-6	89499684	INCB-047775; 1430056-54-4; AKT-IN-6; (S)-5-(2-(1-Amino-3-(3-fluorophenyl)propan-2-yl)-1-oxoisoindolin-5-yl)-1-methyl-1H-pyrazole-4-carbonitrile; SCHEMBL14860546; INCB047775; MFCD30470660; NSC792847; ZINC145135174; NSC-792847; AS-35284; HY-19982; CS-0017706; 5-[2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-1-oxo-3H-isoindol-5-yl]-1-methylpyrazole-4-carbonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	792847	.	.	.	.	389.4	C22H20FN5O	87.9	650	1.8	29	1	5	5	"InChI=1S/C22H20FN5O/c1-27-21(17(10-24)12-26-27)15-5-6-20-16(9-15)13-28(22(20)29)19(11-25)8-14-3-2-4-18(23)7-14/h2-7,9,12,19H,8,11,13,25H2,1H3/t19-/m0/s1"	CN1C(=C(C=N1)C#N)C2=CC3=C(C=C2)C(=O)N(C3)[C@@H](CC4=CC(=CC=C4)F)CN	QXRHOURHCGFDIM-IBGZPJMESA-N
DG68246	NSC793323	89670173	"5-[[(1S,1aR,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one; BGB283; CHEMBL4207519; SCHEMBL15085287; BDBM372967; US9895376, Compound 2.2a; NSC793323; NSC-793323; 5-[[(1S,1aR,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	793323	.	.	.	.	478.4	C25H17F3N4O3	89.1	845	3.7	35	2	8	3	"InChI=1S/C25H17F3N4O3/c26-25(27,28)11-1-4-15-16(9-11)31-24(30-15)21-20-14-10-12(2-5-17(14)35-22(20)21)34-18-7-8-29-23-13(18)3-6-19(33)32-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,30,31)(H,29,32,33)/t20-,21-,22-/m1/s1"	C1CC(=O)NC2=NC=CC(=C21)OC3=CC4=C(C=C3)O[C@@H]5[C@H]4[C@H]5C6=NC7=C(N6)C=C(C=C7)C(F)(F)F	NGFFVZQXSRKHBM-YPAWHYETSA-N
DG68249	"(S)-N-(3-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide"	90241673	"EPZ015666; 1616391-65-1; EPZ-015666; (S)-N-(3-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide; EPZ 015666; EPZ015666 (GSK3235025); GSK3235025; N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide; N-[(2s)-3-(3,4-Dihydroisoquinolin-2(1h)-Yl)-2-Hydroxypropyl]-6-(Oxetan-3-Ylamino)pyrimidine-4-Carboxamide; 3XV; GTPL8287; CHEMBL4060831; SCHEMBL15825186; AOB5167; EX-A559; BDBM177922; MFCD28411588; NSC785299; s7748; ZINC220110600; CCG-268441; CS-3995; NSC-785299; GSK 3235025; NCGC00386436-03; NCGC00386436-07; AS-74874; BE166956; HY-12727; EPZ015666, >=98% (HPLC); P14671; A883079; US9675614, 166; Q27077209; 4-Pyrimidinecarboxamide, N-[(2S)-3-(3,4-dihydro-2(1H)-isoquinolinyl)-2-hydroxypropyl]-6-(3-oxetanylamino)-; N-[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-6-[(oxetan-3-yl)amino]pyrimidine-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785299	.	.	.	.	383.4	C20H25N5O3	99.6	518	0.8	28	3	7	7	"InChI=1S/C20H25N5O3/c26-17(10-25-6-5-14-3-1-2-4-15(14)9-25)8-21-20(27)18-7-19(23-13-22-18)24-16-11-28-12-16/h1-4,7,13,16-17,26H,5-6,8-12H2,(H,21,27)(H,22,23,24)/t17-/m0/s1"	C1CN(CC2=CC=CC=C21)C[C@H](CNC(=O)C3=CC(=NC=N3)NC4COC4)O	ZKXZLIFRWWKZRY-KRWDZBQOSA-N
DG68250	CID 90331177	90331177	"CC-90003; 1621999-82-3; N-(2-((2-((2-Methoxy-5-methylpyridin-4-yl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)-5-methylphenyl)acrylamide; SCHEMBL15938533; BDBM351000; BCP23624; EX-A4704; WPC99982; US9796700, Compound I-90; NSC808792; s8801; CC90003; NSC-808792; CID 90331177; DB-101574; HY-112570; CC 90003; CC90003; CS-0046792; A16837; N-[2-[[2-[(2-methoxy-5-methylpyridin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-5-methylphenyl]prop-2-enamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	808792	.	.	.	.	458.4	C22H21F3N6O2	101	667	4.6	33	3	10	7	"InChI=1S/C22H21F3N6O2/c1-5-18(32)28-17-8-12(2)6-7-15(17)29-20-14(22(23,24)25)11-27-21(31-20)30-16-9-19(33-4)26-10-13(16)3/h5-11H,1H2,2-4H3,(H,28,32)(H2,26,27,29,30,31)"	CC1=CC(=C(C=C1)NC2=NC(=NC=C2C(F)(F)F)NC3=CC(=NC=C3C)OC)NC(=O)C=C	ILUKRINUNLAVMH-UHFFFAOYSA-N
DG68251	CID 90410660	90410660	"INCB054329; 1628607-64-6; SCHEMBL16038298; INCB54329; US9624241, Example 14; BDBM318469; INCB-54329; EX-A3126; INCB-054329; NSC816024; s8753; NSC-816024; HY-112504; CS-0046160; Q50825078; INCB054329 pound INCB-054329,INCB-54329 pound(c); (11S)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one; (4S)-7-(3,5-dimethylisoxazol-4-yl)-4-pyridin-2-yl-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazin-2(1H)-one; (S)-6-(3,5-dimethylisoxazol-4-yl)-3-(pyridin-2-yl)-3,4-dihydro-5-oxa-1,2a-diazaacenaphthylen-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	816024	.	.	.	.	348.4	C19H16N4O3	80.5	561	1.9	26	1	5	2	"InChI=1S/C19H16N4O3/c1-10-16(11(2)26-22-10)12-6-7-14-17-18(12)25-9-15(23(17)19(24)21-14)13-5-3-4-8-20-13/h3-8,15H,9H2,1-2H3,(H,21,24)/t15-/m1/s1"	CC1=C(C(=NO1)C)C2=C3C4=C(C=C2)NC(=O)N4[C@H](CO3)C5=CC=CC=N5	XYLPKCDRAAYATL-OAHLLOKOSA-N
DG68252	"trans-4-[4-[4-(5-Fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1(2H)-pyridinyl]cyclohexaneacetic acid"	90411536	"1628301-84-7; trans-4-[4-[4-(5-Fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1(2H)-pyridinyl]cyclohexaneacetic acid; [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid; 2-[(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,2,3,6-tetrahydropyridin-1-yl}cyclohexyl]acetic acid; CHEMBL3668553; CHEMBL3668554; SCHEMBL16039719; SCHEMBL16039722; SCHEMBL16041264; BDBM167797; BDBM167798; BDBM353880; NSC788794; US9796708, Example 1112; NSC-788794; SB19029; A911; A-911; CS-0012904; US9073922, 288; US9073922, 289; (4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl)acetic acid; (trans-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl)acetic acid; 2-(trans-4-(4-(4-(5-Fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dihydropyridin-1(2H)-yl)cyclohexyl)acetic acid; YOS"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788794	.	.	.	.	463.5	C27H30FN3O3	78.4	741	2	34	2	6	6	"InChI=1S/C27H30FN3O3/c1-34-25-7-4-19(28)15-22(25)21-8-11-29-27-23(21)16-24(30-27)18-9-12-31(13-10-18)20-5-2-17(3-6-20)14-26(32)33/h4,7-9,11,15-17,20H,2-3,5-6,10,12-14H2,1H3,(H,29,30)(H,32,33)"	COC1=C(C=C(C=C1)F)C2=C3C=C(NC3=NC=C2)C4=CCN(CC4)C5CCC(CC5)CC(=O)O	DZZGVCFHAAYUAE-UHFFFAOYSA-N
DG68253	NSC812928	90415637	"(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one; IDH-305; 1628805-46-8; UNII-A791KH7YZW; A791KH7YZW; (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one; (4R)-4-[(1S)-1-fluoroethyl]-3-(2-{[(1S)-1-[4-methyl-2'-(trifluoromethyl)-[3,4'-bipyridin]-6-yl]ethyl]amino}pyrimidin-4-yl)-1,3-oxazolidin-2-one; (4R)-4-[(1S)-1-fluoroethyl]-3-[2-({(1S)-1-[4-methyl-2'-(trifluoromethyl)[3,4'-bipyridin]-6-yl]ethyl}amino)pyrimidin-4-yl]-1,3-oxazolidin-2-one; IDH305; CHEMBL3947537; SCHEMBL16045032; BDBM247859; EX-A3224; MFCD31630851; NSC812928; s3574; CS-8084; NSC-812928; HY-104036; A16943; P18095; US9434719, 466; (4R)-4-[(1S)-1-FLUOROETHYL]-3-(2-{[(1S)-1-[4-METHYL-2'-(TRIFLUOROMETHYL)-[3,4'-BIPYRIDIN]-6-YL]ETHYL]AMINOPYRIMIDIN-4-YL)-1,3-OXAZOLIDIN-2-ONE; (4R)-4-[(1S)-1-Fluoroethyl]-3-(2-{[(1S)-1-[4-methyl-2'-(trifluoromethyl)-[3,4'-bipyridin]-6-yl]ethyl]aminopyrimidin-4-yl)]-1,3-oxazolidin-2-one; (R)-4-((S)-1-fluoroethyl)-3-(2-(((S)-1-(4-methyl-2'-(trifluoromethyl)-[3,4'-bipyridin]-6-yl)ethyl)amino)pyrimidin-4-yl)oxazolidin-2-one; C81"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812928	.	.	.	.	490.5	C23H22F4N6O2	93.1	731	3.9	35	1	11	6	"InChI=1S/C23H22F4N6O2/c1-12-8-17(30-10-16(12)15-4-6-28-19(9-15)23(25,26)27)14(3)31-21-29-7-5-20(32-21)33-18(13(2)24)11-35-22(33)34/h4-10,13-14,18H,11H2,1-3H3,(H,29,31,32)/t13-,14-,18+/m0/s1"	CC1=CC(=NC=C1C2=CC(=NC=C2)C(F)(F)F)[C@H](C)NC3=NC=CC(=N3)N4[C@H](COC4=O)[C@H](C)F	DCGDPJCUIKLTDU-SUNYJGFJSA-N
DG68255	Naporafenib	90456533	"LXH254; 1800398-38-2; Naporafenib; LXH-254; LXH254 free base; N-(3-(2-(2-hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide; Pan-raf inhibitor LXH254; UNII-15JL80DG6H; 15JL80DG6H; 1800398-38-2 (free base); N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyridin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide; N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide; LXH 254; K81; Naporafenib [INN]; CHEMBL4583691; LXH 254 [WHO-DD]; SCHEMBL16094629; BDBM88120; GTPL10658; BCP29080; EX-A1846; NSC807047; s8745; AKOS037648965; AT23218; NSC-807047; compound 15 [PMID: 31059256]; BL166445; BS-16133; HY-112089; CS-0043317; example 1156 [WO2014151616A1]; A16841; US9694016, 1156; 4-Pyridinecarboxamide, N-(3-(2-(2-hydroxyethoxy)-6-(4-morpholinyl)-4-pyridinyl)-4-methylphenyl)-2-(trifluoromethyl)-)-; N-(3-(2-(Hydroxyethoxy)-6-(morpholin-4-yl) pyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	807047	.	.	.	.	502.5	C25H25F3N4O4	96.8	709	3.2	36	2	10	7	"InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34)"	CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)C(F)(F)F)C3=CC(=NC(=C3)OCCO)N4CCOCC4	UEPXBTCUIIGYCY-UHFFFAOYSA-N
DG68256	"N-[1-(3-Phenoxybenzyl)-1H-1,2,3-triazole-4-ylmethyl]-2-(4-fluorophenylamino)pyridine-3-carboxamide"	90680998	"CHEMBL3287792; SCHEMBL16777224; NSC758359; NSC-758359; 2-(4-Fluorophenylamino)-N-((1-(3-phenoxybenzyl)-1H-1,2,3-triazol4-yl)methyl)nicotinamide; N-[1-(3-Phenoxybenzyl)-1H-1,2,3-triazole-4-ylmethyl]-2-(4-fluorophenylamino)pyridine-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758359	.	.	.	.	494.5	C28H23FN6O2	94	702	5.1	37	2	7	9	"InChI=1S/C28H23FN6O2/c29-21-11-13-22(14-12-21)32-27-26(10-5-15-30-27)28(36)31-17-23-19-35(34-33-23)18-20-6-4-9-25(16-20)37-24-7-2-1-3-8-24/h1-16,19H,17-18H2,(H,30,32)(H,31,36)"	C1=CC=C(C=C1)OC2=CC=CC(=C2)CN3C=C(N=N3)CNC(=O)C4=C(N=CC=C4)NC5=CC=C(C=C5)F	KGJRZQDJKDDRTO-UHFFFAOYSA-N
DG68257	"2-(2,4-Dimethoxyphenylamino)-N-((1-(3-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)nicotinamide"	90681003	"CHEMBL3287797; SCHEMBL16777341; NSC758370; NSC-758370; 2-(2,4-Dimethoxyphenylamino)-N-((1-(3-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)nicotinamide; N-[1-(3-Phenoxybenzyl)-1H-1,2,3-triazole-4-ylmethyl]-2-(2,4-dimethoxyphenylamino)pyridine-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758370	.	.	.	.	536.6	C30H28N6O4	112	771	4.9	40	2	8	11	"InChI=1S/C30H28N6O4/c1-38-24-13-14-27(28(17-24)39-2)33-29-26(12-7-15-31-29)30(37)32-18-22-20-36(35-34-22)19-21-8-6-11-25(16-21)40-23-9-4-3-5-10-23/h3-17,20H,18-19H2,1-2H3,(H,31,33)(H,32,37)"	COC1=CC(=C(C=C1)NC2=C(C=CC=N2)C(=O)NCC3=CN(N=N3)CC4=CC(=CC=C4)OC5=CC=CC=C5)OC	IDHWRMSNKVNNPH-UHFFFAOYSA-N
DG68258	"2-(3,5-Dimethoxyphenylamino)-N-((1-(3-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)nicotinamide"	90681005	"CHEMBL3287799; SCHEMBL16777211; NSC758367; NSC-758367; 2-(3,5-Dimethoxyphenylamino)-N-((1-(3-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)nicotinamide; N-[1-(3-Phenoxybenzyl)-1H-1,2,3-triazole-4-ylmethyl]-2-(3,5-dimethoxyphenylamino)pyridine-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758367	.	.	.	.	536.6	C30H28N6O4	112	759	4.9	40	2	8	11	"InChI=1S/C30H28N6O4/c1-38-26-15-22(16-27(17-26)39-2)33-29-28(12-7-13-31-29)30(37)32-18-23-20-36(35-34-23)19-21-8-6-11-25(14-21)40-24-9-4-3-5-10-24/h3-17,20H,18-19H2,1-2H3,(H,31,33)(H,32,37)"	COC1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)NCC3=CN(N=N3)CC4=CC(=CC=C4)OC5=CC=CC=C5)OC	XMELYKPKQSRZGL-UHFFFAOYSA-N
DG68259	"(E)-1-(3,4-dimethoxyphenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one"	90718192	"CHEMBL4174921; SCHEMBL16539169; SCHEMBL16539173; NSC765806; NSC-765806; (E)-1-(3,4-dimethoxyphenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765806	.	.	.	.	424.4	C23H24N2O6	91.9	589	3.5	31	1	7	9	"InChI=1S/C23H24N2O6/c1-27-19-9-6-14(10-20(19)28-2)18(26)8-7-16-13-17(25-24-16)15-11-21(29-3)23(31-5)22(12-15)30-4/h6-13H,1-5H3,(H,24,25)/b8-7+"	COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=NN2)C3=CC(=C(C(=C3)OC)OC)OC)OC	AEKHVVUIZHWELD-BQYQJAHWSA-N
DG68260	"5,3'-Dihydroxy-6,7,8,4'-tetramethoxyflavanone"	91535337	"NSC785304; NSC-785304; 5,3'-dihydroxy-6,7,8,4'-tetramethoxyflavanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785304	.	.	.	.	376.4	C19H20O8	104	514	2.6	27	2	8	5	"InChI=1S/C19H20O8/c1-23-12-6-5-9(7-10(12)20)13-8-11(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-13/h5-7,13,20,22H,8H2,1-4H3"	COC1=C(C=C(C=C1)C2CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O	WBTIDXJSMUSRJQ-UHFFFAOYSA-N
DG68261	[4-(Nitrooxymethyl)phenyl] benzoate	91667526	SCHEMBL17986292; NSC788821; NSC-788821	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788821	.	.	.	.	273.24	C14H11NO5	81.4	327	3.7	20	0	5	5	"InChI=1S/C14H11NO5/c16-14(12-4-2-1-3-5-12)20-13-8-6-11(7-9-13)10-19-15(17)18/h1-9H,10H2"	C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CO[N+](=O)[O-]	TXDZRXFMCDVSAZ-UHFFFAOYSA-N
DG68262	2-[[2-Butyl-3-(quinolin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]quinoline	91667600	CHEMBL3990223; NSC791101; NSC-791101	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791101	.	.	.	.	407.5	C27H27N4+	34.6	509	5.7	31	0	2	7	"InChI=1S/C27H27N4/c1-2-3-12-27-30(19-23-15-13-21-8-4-6-10-25(21)28-23)17-18-31(27)20-24-16-14-22-9-5-7-11-26(22)29-24/h4-11,13-18H,2-3,12,19-20H2,1H3/q+1"	CCCCC1=[N+](C=CN1CC2=NC3=CC=CC=C3C=C2)CC4=NC5=CC=CC=C5C=C4	PHQOIVHXKPHYCO-UHFFFAOYSA-N
DG68263	NSC785346	91667931	"4-Methyl-1-(1h-Pyrazol-4-Ylmethyl)-5-[(4-{[6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidin-4-Yl]amino}piperidin-1-Yl)methyl]-1h-Indole-2-Carbonitrile; MI-503; 1857417-13-0; 1-((1H-pyrazol-4-yl)methyl)-4-methyl-5-((4-((6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-1H-indole-2-carbonitrile; CHEMBL3780822; MI 503; 4-Methyl-1-(1h-Pyrazol-4-Ylmethyl)-5-[(4-{[6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidin-4-Yl]amino}piperidin-1-Yl)methyl]-1h-Indole-2-Carbonitrile; 4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile; 4-Methyl-1-(1H-pyrazol-4-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-piperidinyl]methyl]-1H-indole-2-carbonitrile; GTPL9526; SCHEMBL16156211; BCP23990; EX-A1850; BDBM50454124; NSC785346; NSC787039; s7817; MI 503; MI503; ZINC231128670; CCG-270073; CS-6217; NSC-785346; NSC-787039; BM170658; BS-16354; HY-16925; C73570; A908244; A937773; Q27454238; 3XW; 4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785346	.	.	.	.	564.6	C28H27F3N8S	127	908	5.8	40	2	10	7	"InChI=1S/C28H27F3N8S/c1-17-19(2-3-25-23(17)8-21(11-32)39(25)14-18-12-35-36-13-18)15-38-6-4-20(5-7-38)37-26-24-9-22(10-28(29,30)31)40-27(24)34-16-33-26/h2-3,8-9,12-13,16,20H,4-7,10,14-15H2,1H3,(H,35,36)(H,33,34,37)"	CC1=C(C=CC2=C1C=C(N2CC3=CNN=C3)C#N)CN4CCC(CC4)NC5=C6C=C(SC6=NC=N5)CC(F)(F)F	DETOMBLLEOZTMZ-UHFFFAOYSA-N
DG68264	Mavelertinib	91668194	"Mavelertinib; 1776112-90-3; PF-06747775; PF06747775; N-((3R,4R)-4-fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidin-3-yl)acrylamide; UNII-YXX2180047; YXX2180047; Egfr T790M inhibitor PF-06747775; 2-Propenamide, N-[(3R,4R)-4-fluoro-1-[6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl]-3-pyrrolidinyl]-; N-[(3R,4R)-4-fluoro-1-[6-[(3-methoxy-1-methylpyrazol-4-yl)amino]-9-methylpurin-2-yl]pyrrolidin-3-yl]prop-2-enamide; 2-Propenamide, N-((3R,4R)-4-fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)-3-pyrrolidinyl)-; Mavelertinib [USAN]; Mavelertinib (USAN/INN); GTPL9765; CHEMBL3989970; SCHEMBL16714537; EX-A4999; BDBM50450870; MFCD29079007; NSC788365; ZINC231225813; NSC-788365; compound 21 [PMID: 28287730]; AC-33593; HY-12972; PF6747775; CS-0012907; PF 6747775; J3.645.972G; PF 06747775; C92352; D11368; PF-06747775, >=98% (HPLC); N-((3R,4R)-4-fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol -4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidin-3-yl)acrylamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788365	.	.	.	.	415.4	C18H22FN9O2	115	643	1.2	30	2	9	6	"InChI=1S/C18H22FN9O2/c1-5-13(29)21-11-8-28(6-10(11)19)18-23-15(14-16(24-18)26(2)9-20-14)22-12-7-27(3)25-17(12)30-4/h5,7,9-11H,1,6,8H2,2-4H3,(H,21,29)(H,22,23,24)/t10-,11-/m1/s1"	CN1C=C(C(=N1)OC)NC2=C3C(=NC(=N2)N4C[C@H]([C@@H](C4)F)NC(=O)C=C)N(C=N3)C	JYIUNVOCEFIUIU-GHMZBOCLSA-N
DG68265	"N,N'-dimethyl-N'-[[5-[4-[3-[2-(oxan-4-yl)ethoxy]cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine"	91668547	"EPZ020411; 1700663-41-7; EPZ-020411; N,N'-dimethyl-N'-[[5-[4-[3-[2-(oxan-4-yl)ethoxy]cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine; N,N'-Dimethyl-N-({3-[4-({trans-3-[2-(Tetrahydro-2h-Pyran-4-Yl)ethoxy]cyclobutyl}oxy)phenyl]-1h-Pyrazol-4-Yl}methyl)ethane-1,2-Diamine; EPZ020411 2HCl; GTPL9243; SCHEMBL17621957; SCHEMBL19432274; SCHEMBL22854623; BCP29978; EX-A1601; NSC790865; ZINC253387928; CS-5006; NSC-790865; SB19030; NCGC00482383-01; HY-12970; A16377; EPZ020411;   EPZ 020411; Q27077210; Q27454527; 49L; methyl(2-{methyl[(3-{4-[(trans-3-[2-(oxan-4-yl)ethoxy]cyclobutoxy]phenyl}-1H-pyrazol-4-yl)methyl]amino}ethyl)amine; N1,N2-dimethyl-N1-((3-(4-((1r,3r)-3-(2-(tetrahydro-2H-pyran-4-yl)ethoxy)cyclobutoxy)phenyl)-1H-pyrazol-4-yl)methyl)ethane-1,2-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790865	.	.	.	.	442.6	C25H38N4O3	71.6	519	2.7	32	2	6	12	"InChI=1S/C25H38N4O3/c1-26-10-11-29(2)18-21-17-27-28-25(21)20-3-5-22(6-4-20)32-24-15-23(16-24)31-14-9-19-7-12-30-13-8-19/h3-6,17,19,23-24,26H,7-16,18H2,1-2H3,(H,27,28)"	CNCCN(C)CC1=C(NN=C1)C2=CC=C(C=C2)OC3CC(C3)OCCC4CCOCC4	QMDKVNSQXPVCRD-UHFFFAOYSA-N
DG68266	Unii-I0DX1FG55Y	91810345	"E-7386; UNII-I0DX1FG55Y; 1799824-08-0; I0DX1FG55Y; E7386; (6S,9aS)-N-benzyl-8-[[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl]methyl]-6-[(2-fluoro-4-hydroxyphenyl)methyl]-4,7-dioxo-2-prop-2-enyl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide; CHEMBL4297491; SCHEMBL16822549; NSC820052; NSC-820052; HY-111386; CS-0040308; (6S,9aS)-2-Allyl-N-benzyl-8-((6-(3-(4-ethylpiperazin-1-yl)azetidin-1-yl)pyridin-2-yl)methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxohexahydro-2H-pyrazino(2,1-C)(1,2,4)triazine-1(6H)-carboxamide; (6S,9aS)-8-((6-(3-(4-Ethyl-1-piperazinyl)-1-azetidinyl)-2-pyridinyl)methyl)-6-((2-fluoro-4-hydroxyphenyl)methyl)hexahydro-4,7-dioxo-N-(phenylmethyl)-2-(2-propen-1-yl)-2H-pyrazino(2,1-C)(1,2,4)triazine-1(6H)-carboxamide; (6S,9aS)-N-Benzyl-8-((6-(3-(4-ethylpiperazin-1-yl)azetidin-1-yl)pyridin-2-yl)methyl)-6-((2-fluoro-4-hydroxyphenyl)methyl)-4,7-dioxo-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide; 2H-Pyrazino(2,1-C)(1,2,4)triazine-1(6H)-carboxamide, 8-((6-(3-(4-ethyl-1-piperazinyl)-1-azetidinyl)-2-pyridinyl)methyl)-6-((2-fluoro-4-hydroxyphenyl)methyl)hexahydro-4,7-dioxo-N-(phenylmethyl)-2-(2-propen-1-yl)-, (6S,9aS)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	820052	.	.	.	.	725.9	C39H48FN9O4	119	1280	3.4	53	2	10	11	"InChI=1S/C39H48FN9O4/c1-3-15-47-27-37(51)48-34(20-29-13-14-32(50)21-33(29)40)38(52)46(26-36(48)49(47)39(53)41-22-28-9-6-5-7-10-28)23-30-11-8-12-35(42-30)45-24-31(25-45)44-18-16-43(4-2)17-19-44/h3,5-14,21,31,34,36,50H,1,4,15-20,22-27H2,2H3,(H,41,53)/t34-,36-/m0/s1"	CCN1CCN(CC1)C2CN(C2)C3=CC=CC(=N3)CN4C[C@H]5N([C@H](C4=O)CC6=C(C=C(C=C6)O)F)C(=O)CN(N5C(=O)NCC7=CC=CC=C7)CC=C	ZGNKNLOBYFTGRG-GIWKVKTRSA-N
DG68267	Imidazole ketone erastin	91824786	Imidazole ketone erastin; 1801530-11-9; IKE; PUN30119; CHEMBL3629671; 3-(5-(2-(1H-imidazol-1-yl)acetyl)-2-isopropoxyphenyl)-2-((4-(2-(4-chlorophenoxy)acetyl)piperazin-1-yl)methyl)quinazolin-4(3H)-one; Imidazole ketone erastinIKE; SCHEMBL16924899; BCP31858; BXC53011; EX-A3112; BDBM50126162; NSC819610; s8877; ZB1594; AKOS037648788; Ferroptosis inducer IKE; PUN-30119; NSC-819610; BS-15620; HY-114481; CS-0086985; D70076; IKE; Ferroptosis inducer IKE; PUN30119; PUN-30119; PUN 30119; 2-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]methyl]-3-[5-(2-imidazol-1-ylacetyl)-2-propan-2-yloxyphenyl]quinazolin-4-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	819610	.	.	.	.	655.1	C35H35ClN6O5	110	1120	4.5	47	0	8	11	"InChI=1S/C35H35ClN6O5/c1-24(2)47-32-12-7-25(31(43)20-40-14-13-37-23-40)19-30(32)42-33(38-29-6-4-3-5-28(29)35(42)45)21-39-15-17-41(18-16-39)34(44)22-46-27-10-8-26(36)9-11-27/h3-14,19,23-24H,15-18,20-22H2,1-2H3"	CC(C)OC1=C(C=C(C=C1)C(=O)CN2C=CN=C2)N3C(=NC4=CC=CC=C4C3=O)CN5CCN(CC5)C(=O)COC6=CC=C(C=C6)Cl	PSPXJPWGVFNGQI-UHFFFAOYSA-N
DG68268	"4-(2-hydroxyethyl)-6-methoxy-9-phenyl-4,9-dihydrofuro[3,4-b]quinolin-1(3H)-one"	91826517	"NSC756093; 1629908-92-4; NSC 756093; NSC-756093; 4-(2-hydroxyethyl)-6-methoxy-9-phenyl-4,9-dihydrofuro[3,4-b]quinolin-1(3H)-one; CHEMBL3338370; SCHEMBL19639513; AOB6494; AKOS037643573; AS-16954; NSC756093, >=98% (HPLC); 4-(2-hydroxyethyl)-6-methoxy-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756093	.	.	.	.	337.4	C20H19NO4	59	540	2.4	25	1	5	4	"InChI=1S/C20H19NO4/c1-24-14-7-8-15-16(11-14)21(9-10-22)17-12-25-20(23)19(17)18(15)13-5-3-2-4-6-13/h2-8,11,18,22H,9-10,12H2,1H3"	COC1=CC2=C(C=C1)C(C3=C(N2CCO)COC3=O)C4=CC=CC=C4	SMEJQLRLHKWIFV-UHFFFAOYSA-N
DG68269	Samuraciclib	91844733	"Samuraciclib; CT7001; ICEC0942; ICEC0942 free base; ICEC-0942; 1805833-75-3; UNII-46D4HS9ODA; CT-7001; 46D4HS9ODA; 1805833-75-3 (free base); Samuraciclib HCl; (3~{R},4~{R})-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol; (3R,4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol; (3r,4r)-4-[[[7-[(Phenylmethyl)amino]-3-Propan-2-Yl-Pyrazolo[1,5-A]pyrimidin-5-Yl]amino]methyl]piperidin-3-Ol; 3-Piperidinol, 4-(((3-(1-methylethyl)-7-((phenylmethyl)amino)pyrazolo(1,5-a)pyrimidin-5-yl)amino)methyl)-, (3R,4R)-; 3-Piperidinol, 4-[[[3-(1-methylethyl)-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]-, (3R,4R)-; Samuraciclib di-HCl; CT7001, Samuraciclib; CT7001 di-HCl; CT-7001 di-HCl; CT7001 HCl; CT-7001 HCl; GTPL9903; PPDA-001; CHEMBL4297488; SCHEMBL17032274; EX-A3445; BDBM50526797; MFCD32638713; NSC832261; NSC835588; NSC-832261; NSC-835588; HY-103712; (3R,4R)-4-(((7-(Benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-yl)amino)methyl)piperidin-3-ol; (3R,4R)-4-({[7-(benzylamino)-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}methyl)piperidin-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	832261	.	.	.	.	394.5	C22H30N6O	86.5	500	2.9	29	4	6	7	"InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1"	CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)NC[C@H]4CCNC[C@@H]4O	YCVGLKWJKIKVBI-MJGOQNOKSA-N
DG68270	Eganelisib	91933883	"IPI-549; 1693758-51-8; Eganelisib; UNII-FOF5155FMZ; FOF5155FMZ; IPI549; CHEMBL3984425; pi3k-gamma Inhibitor IPI-549; 2-amino-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide; 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide; Pyrazolo(1,5-a)pyrimidine-3-carboxamide, 2-amino-N-((1S)-1-(1,2-dihydro-8-(2-(1-methyl-1H-pyrazol-4-yl)ethynyl)-1-oxo-2-phenyl-3-isoquinolinyl)ethyl)-; Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 2-amino-N-[(1S)-1-[1,2-dihydro-8-[2-(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-3-isoquinolinyl]ethyl]-; Eganelisib [USAN]; GTPL9563; SCHEMBL16629991; IPI 549; AMY16733; EX-A1057; V7Y; BDBM50192880; MFCD30533720; NSC795067; NSC801002; s8330; WHO 11571; ZINC584906867; ACN-051238; CCG-269905; CS-6106; NSC-795067; NSC-801002; compound 26 [PMID: 27660692]; AC-29898; AS-55938; HY-100716; A16332; (S)-2-Amino-N-(1-(8-((1-methyl-1H-pyrazol-4-yl)ethynyl)-1-oxo-2-phenyl-1,2- dihydroisoquinolin-3-yl)ethyl)pyrazolo(1,5-a)pyrimidine-3-carboxamide; 2-Amino-N-((1S)-1-(8-((1-methyl-1H-pyrazol-4-yl)ethynyl)-1-oxo-2-phenyl-1,2-dihydro-3-isoquinolinyl)ethyl)pyrazolo(1,5-a)pyrimidine-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795067	.	.	.	.	528.6	C30H24N8O2	123	1060	3.2	40	2	6	6	"InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1"	C[C@@H](C1=CC2=C(C(=CC=C2)C#CC3=CN(N=C3)C)C(=O)N1C4=CC=CC=C4)NC(=O)C5=C6N=CC=CN6N=C5N	XUMALORDVCFWKV-IBGZPJMESA-N
DG68271	NSC831270	91972012	"4-((3'R,4'S,5'R)-6''-Chloro-4'-(3-chloro-2-fluorophenyl)-1'-ethyl-2''-oxodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indoline]-5'-carboxamido)bicyclo[2.2.2]octane-1-carboxylic acid; AA-115; Alrizomadlin; 15QAU0SI9J; 1818393-16-6; APG-115; UNII-15QAU0SI9J; APG115; CHEMBL4091801; 4-((3'R,4'S,5'R)-6''-Chloro-4'-(3-chloro-2-fluorophenyl)-1'-ethyl-2''-oxodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indoline]-5'-carboxamido)bicyclo[2.2.2]octane-1-carboxylic acid; APG 115 [WHO-DD]; SCHEMBL17189805; BDBM50237739; MFCD32197175; NSC831270; NSC-831270; HY-101518; CS-0021621; (3'R,4'S,5'R)-4-((6-Chloro-2-oxo-1,2-dihydro-spiro(indole-3,3'-pyrrolidin)E-4'-(3-chloro-2-fluoro -phenyl)-1'-ethyl-spiro(cyclohexane-1,2'-pyrrolidine)-5'-carbonyl)-amino)-bicyclo(2.2.2)octane-1-carboxylic acid; Bicyclo(2.2.2)octane-1-carboxylic acid, 4-((((3'R,4'S,5'R)-6''-chloro-4'-(3-chloro-2-fluorophenyl)-1'-ethyl-1'',2''-dihydro-2''-oxodispiro(cyclohexane-1,2'-pyrrolidine-3',3''-(3H)indol)-5'-yl)carbonyl)amino)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	831270	.	.	.	.	642.6	C34H38Cl2FN3O4	98.7	1160	3.6	44	3	6	5	"InChI=1S/C34H38Cl2FN3O4/c1-2-40-27(28(41)39-32-16-13-31(14-17-32,15-18-32)30(43)44)25(21-7-6-8-23(36)26(21)37)34(33(40)11-4-3-5-12-33)22-10-9-20(35)19-24(22)38-29(34)42/h6-10,19,25,27H,2-5,11-18H2,1H3,(H,38,42)(H,39,41)(H,43,44)/t25-,27+,31 ,32 ,34+/m0/s1"	CCN1[C@H]([C@@H]([C@]2(C13CCCCC3)C4=C(C=C(C=C4)Cl)NC2=O)C5=C(C(=CC=C5)Cl)F)C(=O)NC67CCC(CC6)(CC7)C(=O)O	YJCZPJQGFSSFOL-MNZPCBJKSA-N
DG68272	Pyridoclax	92042827	"Pyridoclax; 1651890-44-6; MR-29072; 3,2':5',2'':5'',3'''-Quaterpyridine, 3'-methyl-3''-[(1E)-2-phenylethenyl]-; Pyridoclax(MR29072); Pyridoclax; MR29072; CHEMBL4787360; SCHEMBL17060301; BCP23863; BRC89044; EX-A2940; NSC783916; ZINC253387943; CS-3777; NSC-783916; NCGC00485927-01; HY-12527; B4901; A16380; (E)-3'-methyl-3''-styryl-3,2':5',2'':5'',3'''-quaterpyridine; 2-(5-methyl-6-pyridin-3-ylpyridin-3-yl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783916	.	.	.	.	426.5	C29H22N4	51.6	615	5.2	33	0	4	5	"InChI=1S/C29H22N4/c1-21-15-27(20-32-28(21)25-10-6-14-31-18-25)29-23(12-11-22-7-3-2-4-8-22)16-26(19-33-29)24-9-5-13-30-17-24/h2-20H,1H3/b12-11+"	CC1=CC(=CN=C1C2=CN=CC=C2)C3=C(C=C(C=N3)C4=CN=CC=C4)/C=C/C5=CC=CC=C5	WGGSYXQFYRWBEC-VAWYXSNFSA-N
DG68273	Nampt-IN-1	92044379	"Nampt-IN-1; 1698878-14-6; LSN3154567; 2-hydroxy-2-methyl-N-[1,2,3,4-tetrahydro-2-[2-(3-pyridinyloxy)acetyl]-6-isoquinolinyl]-1-propanesulfonamide; 2-hydroxy-2-methyl-N-[2-(2-pyridin-3-yloxyacetyl)-3,4-dihydro-1H-isoquinolin-6-yl]propane-1-sulfonamide; 2-Hydroxy-2-methyl-N-(2-(2-(pyridin-3-yloxy)acetyl)-1,2,3,4-tetrahydroisoquinolin-6-yl)propane-1-sulfonamide; 2-hydroxy-2-methyl-N-{2-[2-(pyridin-3-yloxy)acetyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}propane-1-sulfonamide; Nampt-IN 1; CHEMBL3586462; SCHEMBL16634738; BCP25239; EX-A2743; LSN3154567(Nampt-IN-1); NSC789099; ZINC253387927; CS-5008; NSC-789099; SB19031; LSN 3154567; 2-Hydroxy-2-methyl-N-[1,2,3,4-tetrahydro-2-[2-(3-pyridinyloxy)acetyl]-6-isoquinolinyl]-1-propanesulf; BL165041; HY-12971; LY3154567; LY-3154567; A857607; 2-Hydroxy-2-methyl-N-[2-[2-(3-pyridyloxy)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]propane-1-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789099	.	.	.	.	419.5	C20H25N3O5S	117	664	1.3	29	2	7	7	"InChI=1S/C20H25N3O5S/c1-20(2,25)14-29(26,27)22-17-6-5-16-12-23(9-7-15(16)10-17)19(24)13-28-18-4-3-8-21-11-18/h3-6,8,10-11,22,25H,7,9,12-14H2,1-2H3"	CC(C)(CS(=O)(=O)NC1=CC2=C(CN(CC2)C(=O)COC3=CN=CC=C3)C=C1)O	QHHSCLARESIWBH-UHFFFAOYSA-N
DG68274	NSC789043	92044400	"2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-(2-(2-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethoxy)ethoxy)ethoxy)phenyl)acetamide; ARV-825; 1818885-28-7; CHEMBL4226052; 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]acetamide; 2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-(2-(2-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethoxy)ethoxy)ethoxy)phenyl)acetamide; ARV825; SCHEMBL17162093; ARV825; ARV 825; BCP19950; EX-A2379; BDBM50512415; NSC789043; s8297; CS-4776; NSC-789043; NCGC00483927-01; HY-16954; A909166; 2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-(2-(2-(2-(2-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-ylamino)ethoxy)ethoxy)ethoxy)ethoxy)phenyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789043	.	.	.	.	923.4	C46H47ClN8O9S	233	1720	4.8	65	3	14	19	"InChI=1S/C46H47ClN8O9S/c1-26-27(2)65-46-39(26)41(29-7-9-30(47)10-8-29)50-35(42-53-52-28(3)54(42)46)25-38(57)49-31-11-13-32(14-12-31)64-24-23-63-22-21-62-20-19-61-18-17-48-34-6-4-5-33-40(34)45(60)55(44(33)59)36-15-16-37(56)51-43(36)58/h4-14,35-36,48H,15-25H2,1-3H3,(H,49,57)(H,51,56,58)/t35-,36 /m0/s1"	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)OCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O)C8=CC=C(C=C8)Cl)C	RWLOGRLTDKDANT-TYIYNAFKSA-N
DG68275	"(Z)-1-(1H-indol-3-yl)-3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one"	92131109	SCHEMBL17244302; NSC777174; NSC-777174	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777174	.	.	.	.	484.5	C29H28N2O5	81.8	744	6.2	36	2	6	10	"InChI=1S/C29H28N2O5/c1-33-26-12-11-19(9-10-20-16-27(34-2)29(36-4)28(17-20)35-3)15-24(26)30-14-13-25(32)22-18-31-23-8-6-5-7-21(22)23/h5-18,30-31H,1-4H3/b10-9-,14-13-"	COC1=C(C=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC)N/C=C\\C(=O)C3=CNC4=CC=CC=C43	WLZCGHMCKNWJMJ-KWUOUXIESA-N
DG68276	"Pyrocatechol,4'-(meso-1,2-diethylethylene)di-"	92156437	"NSC35753; ZINC1668369; NSC-35753; Pyrocatechol,4'-(meso-1,2-diethylethylene)di-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35753	.	.	.	.	302.4	C18H22O4	80.9	303	4.5	22	4	4	5	"InChI=1S/C18H22O4/c1-3-13(11-5-7-15(19)17(21)9-11)14(4-2)12-6-8-16(20)18(22)10-12/h5-10,13-14,19-22H,3-4H2,1-2H3/t13-,14-/m0/s1"	CC[C@@H](C1=CC(=C(C=C1)O)O)[C@@H](CC)C2=CC(=C(C=C2)O)O	SQJDIVYCVVFMOZ-KBPBESRZSA-N
DG68277	NSC659548	101664521	"(1R,5S,7R,13R,20R)-11-hydroxy-5,10,13,14,15-pentamethoxy-7,20-diphenyl-2,8,21-trioxapentacyclo[11.8.0.01,17.03,12.04,9]henicosa-3,9,11,14,17-pentaen-16-one; Calycopterone; NSC659548; NSC-659548"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659548	.	.	.	.	614.6	C35H34O10	111	1170	3.8	45	1	10	7	"InChI=1S/C35H34O10/c1-38-24-18-23(20-14-10-7-11-15-20)43-30-25(24)29-26(28(37)31(30)39-2)34(42-5)33(41-4)32(40-3)27(36)21-16-17-22(44-35(21,34)45-29)19-12-8-6-9-13-19/h6-16,22-24,37H,17-18H2,1-5H3/t22-,23-,24+,34-,35-/m1/s1"	CO[C@H]1C[C@@H](OC2=C(C(=C3C(=C12)O[C@@]45[C@@]3(C(=C(C(=O)C4=CC[C@@H](O5)C6=CC=CC=C6)OC)OC)OC)O)OC)C7=CC=CC=C7	CRTQTCGLSVSTRI-DVJPGHMYSA-N
DG68278	4-Demethylcalycopterone	101664523	4-demethylcalycopterone; NSC665529; NSC-665529; 156370-80-8	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665529	.	.	.	.	600.6	C34H32O10	122	1160	3.2	44	2	10	6	"InChI=1S/C34H32O10/c1-38-30-27(37)25-28(24-21(35)17-23(42-29(24)30)19-13-9-6-10-14-19)44-34-20(15-16-22(43-34)18-11-7-5-8-12-18)26(36)31(39-2)32(40-3)33(25,34)41-4/h5-15,21-23,35,37H,16-17H2,1-4H3/t21-,22+,23+,33+,34+/m0/s1"	COC1=C2C(=C3C(=C1O)[C@]4(C(=C(C(=O)C5=CC[C@@H](O[C@@]54O3)C6=CC=CC=C6)OC)OC)OC)[C@H](C[C@@H](O2)C7=CC=CC=C7)O	FYCQGQNQVPLKBH-HRVMIWGTSA-N
DG68279	"7-Ethyl-9-amino-10,11-methylenedioxy-20(S)-camptothecin"	101684193	"NSC673593; NSC-673593; 7-Ethyl-9-amino-10,11-methylenedioxy-20(S)-camptothecin; 4alpha-Ethyl-4beta-hydroxy-8,9-(epoxymethanoxy)-10-amino-11-ethyl-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673593	.	.	.	.	435.4	C23H21N3O6	124	933	0.9	32	2	8	2	"InChI=1S/C23H21N3O6/c1-3-10-11-7-26-15(5-13-12(21(26)27)8-30-22(28)23(13,29)4-2)19(11)25-14-6-16-20(32-9-31-16)18(24)17(10)14/h5-6,29H,3-4,7-9,24H2,1-2H3/t23-/m0/s1"	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=CC6=C(C(=C51)N)OCO6	SVBVRHFMDMNEON-QHCPKHFHSA-N
DG68280	"1-[6-(Trifluoromethyl)-1H-benzoimidazole-2-yl]-3-phenylimidazo[1,5-a]pyridine"	101882092	"NSC774952; NSC-774952; 1-[6-(Trifluoromethyl)-1H-benzoimidazole-2-yl]-3-phenylimidazo[1,5-a]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774952	.	.	.	.	378.3	C21H13F3N4	46	550	5.7	28	1	5	2	"InChI=1S/C21H13F3N4/c22-21(23,24)14-9-10-15-16(12-14)26-19(25-15)18-17-8-4-5-11-28(17)20(27-18)13-6-2-1-3-7-13/h1-12H,(H,25,26)"	C1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=C(N4)C=C(C=C5)C(F)(F)F	VBCDIUYODMQLRW-UHFFFAOYSA-N
DG68281	"1-(6-Methyl-1H-benzoimidazole-2-yl)-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine"	101882094	"NSC766338; NSC-766338; 1-(6-Methyl-1H-benzoimidazole-2-yl)-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766338	.	.	.	.	354.4	C22H18N4O	55.2	509	5.1	27	1	3	3	"InChI=1S/C22H18N4O/c1-14-6-11-17-18(13-14)24-21(23-17)20-19-5-3-4-12-26(19)22(25-20)15-7-9-16(27-2)10-8-15/h3-13H,1-2H3,(H,23,24)"	CC1=CC2=C(C=C1)N=C(N2)C3=C4C=CC=CN4C(=N3)C5=CC=C(C=C5)OC	SPBXIBVJMFCHFD-UHFFFAOYSA-N
DG68282	"1-[6-(Trifluoromethyl)-1H-benzoimidazole-2-yl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine"	101882095	"NSC766331; NSC-766331; 1-[6-(Trifluoromethyl)-1H-benzoimidazole-2-yl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766331	.	.	.	.	408.4	C22H15F3N4O	55.2	597	5.6	30	1	6	3	"InChI=1S/C22H15F3N4O/c1-30-15-8-5-13(6-9-15)21-28-19(18-4-2-3-11-29(18)21)20-26-16-10-7-14(22(23,24)25)12-17(16)27-20/h2-12H,1H3,(H,26,27)"	COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=C(N4)C=C(C=C5)C(F)(F)F	ZUKDLCVEWHZVQL-UHFFFAOYSA-N
DG68283	N-[2-Oxo-3-[(1H-pyrrole-2-yl)methylene]indoline-5-yl]-N'-(2-aminophenyl)octanediamide	101882857	CHEMBL3621298; NSC774918; NSC-774918; N-[2-Oxo-3-[(1H-pyrrole-2-yl)methylene]indoline-5-yl]-N'-(2-aminophenyl)octanediamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774918	.	.	.	.	471.5	C27H29N5O3	129	785	2.8	35	5	4	10	"InChI=1S/C27H29N5O3/c28-22-9-5-6-10-24(22)31-26(34)12-4-2-1-3-11-25(33)30-19-13-14-23-20(17-19)21(27(35)32-23)16-18-8-7-15-29-18/h5-10,13-17,29H,1-4,11-12,28H2,(H,30,33)(H,31,34)(H,32,35)/b21-16-"	C1=CC=C(C(=C1)N)NC(=O)CCCCCCC(=O)NC2=CC\\3=C(C=C2)NC(=O)/C3=C\\C4=CC=CN4	YBIREACTYDYGTB-PGMHBOJBSA-N
DG68284	"2-Methyl-5-(5,6-dichloro-1H-benzoimidazole-2-yl)-6-(4-fluorophenyl)-imidazo[2,1-b][1,3,4]thiadiazole"	101887239	"CHEMBL3621643; NSC767081; NSC-767081; 2-Methyl-5-(5,6-dichloro-1H-benzoimidazole-2-yl)-6-(4-fluorophenyl)-imidazo[2,1-b][1,3,4]thiadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767081	.	.	.	.	418.3	C18H10Cl2FN5S	87.1	554	5.5	27	1	5	2	"InChI=1S/C18H10Cl2FN5S/c1-8-25-26-16(17-22-13-6-11(19)12(20)7-14(13)23-17)15(24-18(26)27-8)9-2-4-10(21)5-3-9/h2-7H,1H3,(H,22,23)"	CC1=NN2C(=C(N=C2S1)C3=CC=C(C=C3)F)C4=NC5=CC(=C(C=C5N4)Cl)Cl	XFMJUOIUEXGIEI-UHFFFAOYSA-N
DG68285	"2-Methyl-5-(3,4,5-trimethoxycinnamoyl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole"	101887310	"CHEMBL3621404; NSC773187; NSC-773187; 2-Methyl-5-(3,4,5-trimethoxycinnamoyl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773187	.	.	.	.	469.9	C23H20ClN3O4S	103	664	5.6	32	0	7	7	"InChI=1S/C23H20ClN3O4S/c1-13-26-27-21(20(25-23(27)32-13)15-6-8-16(24)9-7-15)17(28)10-5-14-11-18(29-2)22(31-4)19(12-14)30-3/h5-12H,1-4H3/b10-5+"	CC1=NN2C(=C(N=C2S1)C3=CC=C(C=C3)Cl)C(=O)/C=C/C4=CC(=C(C(=C4)OC)OC)OC	LVYXJVLFDWMLQX-BJMVGYQFSA-N
DG68286	"2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-diphenyl-1H-imidazole"	101887360	NSC-771434; CHEMBL3621585; SCHEMBL17693079; NSC771434	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771434	.	.	.	.	410.5	C27H26N2O2	47.1	539	6.3	31	1	3	6	"InChI=1S/C27H26N2O2/c1-30-23-17-16-21(18-24(23)31-22-14-8-9-15-22)27-28-25(19-10-4-2-5-11-19)26(29-27)20-12-6-3-7-13-20/h2-7,10-13,16-18,22H,8-9,14-15H2,1H3,(H,28,29)"	COC1=C(C=C(C=C1)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)OC5CCCC5	ZIIQYJOAYAEKNK-UHFFFAOYSA-N
DG68287	"2-(3-Cyclopentyloxy-4-methoxyphenyl)-1-cyclopropyl-4,5-diphenylimidazole"	101887362	NSC-771426; CHEMBL3621587; SCHEMBL17693096; NSC771426	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771426	.	.	.	.	450.6	C30H30N2O2	36.3	636	6.7	34	0	3	7	"InChI=1S/C30H30N2O2/c1-33-26-19-16-23(20-27(26)34-25-14-8-9-15-25)30-31-28(21-10-4-2-5-11-21)29(32(30)24-17-18-24)22-12-6-3-7-13-22/h2-7,10-13,16,19-20,24-25H,8-9,14-15,17-18H2,1H3"	COC1=C(C=C(C=C1)C2=NC(=C(N2C3CC3)C4=CC=CC=C4)C5=CC=CC=C5)OC6CCCC6	PKBLKAVYBMQEQZ-UHFFFAOYSA-N
DG68288	"9-Methyl-9-[2-(4-biphenylyl)ethenyl]-7,8,9,10-tetrahydro[1,4]diazepino[1,2,3-gh]purine-10-ol"	101904648	"NSC796304; NSC-796304; 1807484-88-3; 9-Methyl-9-[2-(4-biphenylyl)ethenyl]-7,8,9,10-tetrahydro[1,4]diazepino[1,2,3-gh]purine-10-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	796304	.	.	.	.	383.4	C23H21N5O	67.1	586	4.1	29	1	5	3	"InChI=1S/C23H21N5O/c1-23(12-11-17-7-9-19(10-8-17)18-5-3-2-4-6-18)13-14-27-16-26-21-20(27)22(28(23)29)25-15-24-21/h2-12,15-16,29H,13-14H2,1H3/b12-11+"	CC1(CCN2C=NC3=C2C(=NC=N3)N1O)/C=C/C4=CC=C(C=C4)C5=CC=CC=C5	RATAUKJBOPUJRD-VAWYXSNFSA-N
DG68289	4-[2-(3-Pyridinyl)-6-morpholinopyrimidine-4-yl]-1-methyl-3-(3-hydroxy-5-methylphenyl)-1H-pyrazole	102140478	CHEMBL3310332; BDBM50048844; NSC780369; NSC-780369; 4-[2-(3-Pyridinyl)-6-morpholinopyrimidine-4-yl]-1-methyl-3-(3-hydroxy-5-methylphenyl)-1H-pyrazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780369	.	.	.	.	428.5	C24H24N6O2	89.2	605	2.5	32	1	7	4	"InChI=1S/C24H24N6O2/c1-16-10-18(12-19(31)11-16)23-20(15-29(2)28-23)21-13-22(30-6-8-32-9-7-30)27-24(26-21)17-4-3-5-25-14-17/h3-5,10-15,31H,6-9H2,1-2H3"	CC1=CC(=CC(=C1)O)C2=NN(C=C2C3=CC(=NC(=N3)C4=CN=CC=C4)N5CCOCC5)C	JRQZVGYJEGMKQR-UHFFFAOYSA-N
DG68290	(2S)-2-Hydroxy-2-(2-phenyl-2-propenyl)-3-oxo-5-(4-chlorophenyl)-4-pentenoic acid methyl ester	102142403	NSC781411; NSC-781411; (2S)-2-Hydroxy-2-(2-phenyl-2-propenyl)-3-oxo-5-(4-chlorophenyl)-4-pentenoic acid methyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781411	.	.	.	.	370.8	C21H19ClO4	63.6	542	4.9	26	1	4	8	"InChI=1S/C21H19ClO4/c1-15(17-6-4-3-5-7-17)14-21(25,20(24)26-2)19(23)13-10-16-8-11-18(22)12-9-16/h3-13,25H,1,14H2,2H3/b13-10+/t21-/m0/s1"	COC(=O)[C@](CC(=C)C1=CC=CC=C1)(C(=O)/C=C/C2=CC=C(C=C2)Cl)O	AKBKOLFCKLWLEW-BGVYSJOJSA-N
DG68291	1-(4-Methoxyphenyl)-3-(5-methoxy-1H-benzoimidazole-2-yl)-beta-carboline	102220009	NSC765800; NSC-765800; 1-(4-Methoxyphenyl)-3-(5-methoxy-1H-benzoimidazole-2-yl)-beta-carboline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765800	.	.	.	.	420.5	C26H20N4O2	75.8	641	5.2	32	2	4	4	"InChI=1S/C26H20N4O2/c1-31-16-9-7-15(8-10-16)24-25-19(18-5-3-4-6-20(18)27-25)14-23(28-24)26-29-21-12-11-17(32-2)13-22(21)30-26/h3-14,27H,1-2H3,(H,29,30)"	COC1=CC=C(C=C1)C2=C3C(=CC(=N2)C4=NC5=C(N4)C=C(C=C5)OC)C6=CC=CC=C6N3	RLZFNFXVGCTDLL-UHFFFAOYSA-N
DG68292	"(E)-1-(1,3-benzodioxol-5-yl)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]prop-2-en-1-one"	102593084	NSC777187; NSC-777187	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777187	.	.	.	.	476.5	C27H24O8	89.5	740	4.7	35	0	8	9	"InChI=1S/C27H24O8/c1-30-21-9-7-18(26(29)19-13-24(31-2)27(33-4)25(14-19)32-3)11-17(21)5-8-20(28)16-6-10-22-23(12-16)35-15-34-22/h5-14H,15H2,1-4H3/b8-5+"	COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)/C=C/C(=O)C3=CC4=C(C=C3)OCO4	HHDHXVJTUINMGH-VMPITWQZSA-N
DG68293	VOB560 HCl	112500313	"VOB560 HCl; CHEMBL3701382; S65487 HCl; SCHEMBL16411510; BDBM161571; US9108983, Example 386; US9108983, Example 449; NSC834375; NSC-834375; HY-138697; S65487; 1644543-95-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	834375	.	.	.	.	717.3	C41H41ClN6O4	107	1300	5.5	52	1	6	7	"InChI=1S/C41H41ClN6O4/c1-26-36(41(51)48(31-10-12-34(49)13-11-31)38-21-32(23-43)44(3)27(38)2)22-39(45(26)4)37-20-30(42)9-14-35(37)40(50)47-24-29-8-6-5-7-28(29)19-33(47)25-46-15-17-52-18-16-46/h5-14,20-22,33,49H,15-19,24-25H2,1-4H3/t33-/m0/s1"	CC1=C(C=C(N1C)C2=C(C=CC(=C2)Cl)C(=O)N3CC4=CC=CC=C4C[C@H]3CN5CCOCC5)C(=O)N(C6=CC=C(C=C6)O)C7=C(N(C(=C7)C#N)C)C	VNNWQLOUMFCVJD-XIFFEERXSA-N
DG68294	"3-(2-Methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine"	117606729	CHEMBL3991933; SCHEMBL16117323; AMY32559; NSC800875; NSC-800875	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800875	.	.	.	.	308.34	C16H16N6O	95.6	435	2.4	23	1	6	2	"InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)10-4-5-12-11(6-10)20-9(3)23-12/h4-8H,1-3H3,(H2,17,18,19)"	CC1=NC2=C(O1)C=CC(=C2)C3=NN(C4=NC=NC(=C34)N)C(C)C	JUUFLLKHNYWHKP-UHFFFAOYSA-N
DG68295	Pak4-IN-1	117779453	"KPT-9274; 1643913-93-2; PAK4-IN-1; KPT9274; Kpt 9274; UNII-9T56TV18X7; 9T56TV18X7; (E)-3-(6-aminopyridin-3-yl)-N-((5-(4-(4,4-difluoropiperidine-1-carbonyl)phenyl)-7-(4-fluorophenyl)benzofuran-2-yl)methyl)acrylamide; (E)-3-(6-aminopyridin-3-yl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide; 2-Propenamide, 3-(6-amino-3-pyridinyl)-N-[[5-[4-[(4,4-difluoro-1-piperidinyl)carbonyl]phenyl]-7-(4-fluorophenyl)-2-benzofuranyl]methyl]-, (2E)-; padnarsertib; (~{E})-3-(6-azanylpyridin-3-yl)-~{N}-[[5-[4-[4,4-bis(fluoranyl)piperidin-1-yl]carbonylphenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide; 2-Propenamide, 3-(6-amino-3-pyridinyl)-N-((5-(4-((4,4-difluoro-1-piperidinyl)carbonyl)phenyl)-7-(4-fluorophenyl)-2-benzofuranyl)methyl)-, (2E)-; CHEMBL4297467; PAK4-IN-1KPT9274; SCHEMBL16345416; SCHEMBL16348032; GTPL10593; EX-A563; BCP10637; KPT 9274;KPT9274; MFCD30207881; NSC792970; s8444; ZINC253387914; CCG-270228; CS-5146; NSC-792970; NCGC00484085-01; NCGC00484085-02; AS-79230; HY-12793; A857869; J-690230; 2226508-53-6; 3-(6-amino-3-pyridinyl)-N-[[5-[4-[(4,4-difluoro-1-piperidinyl)carbonyl]phenyl]-7-(4-fluorophenyl)-2-benzofuranyl]methyl]-, (2E)-2-Propenamide ; 3-(6-aminopyridin-3-yl)-N-((5-(4-(4,4-difluoropiperidine-1-carbonyl)phenyl)-7-(4-fluorophenyl)benzofuran-2-yl)methyl)acrylamide; 4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	792970	.	.	.	.	610.6	C35H29F3N4O3	102	1040	6.1	45	2	8	7	"InChI=1S/C35H29F3N4O3/c36-28-9-7-24(8-10-28)30-19-26(23-3-5-25(6-4-23)34(44)42-15-13-35(37,38)14-16-42)17-27-18-29(45-33(27)30)21-41-32(43)12-2-22-1-11-31(39)40-20-22/h1-12,17-20H,13-16,21H2,(H2,39,40)(H,41,43)/b12-2+"	C1CN(CCC1(F)F)C(=O)C2=CC=C(C=C2)C3=CC(=C4C(=C3)C=C(O4)CNC(=O)/C=C/C5=CN=C(C=C5)N)C6=CC=C(C=C6)F	MRFOPLWJZULAQD-SWGQDTFXSA-N
DG68296	"2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine"	117826054	CHEMBL3353677; SCHEMBL16405530; NSC775293; NSC-775293	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775293	.	.	.	.	434.9	C23H23ClN6O	84	520	5.3	31	3	7	9	"InChI=1S/C23H23ClN6O/c1-31-18-6-4-17(5-7-18)29-22-10-14-28-23(30-22)27-12-2-11-25-20-9-13-26-21-15-16(24)3-8-19(20)21/h3-10,13-15H,2,11-12H2,1H3,(H,25,26)(H2,27,28,29,30)"	COC1=CC=C(C=C1)NC2=NC(=NC=C2)NCCCNC3=C4C=CC(=CC4=NC=C3)Cl	KHTSZJJMTVHZDV-UHFFFAOYSA-N
DG68297	"4-N-(4-chlorophenyl)-2-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]pyrimidine-2,4-diamine"	117827342	CHEMBL3353667; SCHEMBL16407078; NSC775296; NSC-775296	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775296	.	.	.	.	425.3	C21H18Cl2N6	74.8	490	5.6	29	3	6	7	"InChI=1S/C21H18Cl2N6/c22-14-1-4-16(5-2-14)28-20-8-10-26-21(29-20)27-12-11-25-18-7-9-24-19-13-15(23)3-6-17(18)19/h1-10,13H,11-12H2,(H,24,25)(H2,26,27,28,29)"	C1=CC(=CC=C1NC2=NC(=NC=C2)NCCNC3=C4C=CC(=CC4=NC=C3)Cl)Cl	GQSSPBGEZWPQLM-UHFFFAOYSA-N
DG68298	"2-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-N-(3,5-dimethoxyphenyl)pyrimidine-2,4-diamine"	117827349	CHEMBL3353671; SCHEMBL16407086; NSC775294; NSC-775294	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775294	.	.	.	.	450.9	C23H23ClN6O2	93.2	549	4.9	32	3	8	9	"InChI=1S/C23H23ClN6O2/c1-31-17-12-16(13-18(14-17)32-2)29-22-6-8-27-23(30-22)28-10-9-26-20-5-7-25-21-11-15(24)3-4-19(20)21/h3-8,11-14H,9-10H2,1-2H3,(H,25,26)(H2,27,28,29,30)"	COC1=CC(=CC(=C1)NC2=NC(=NC=C2)NCCNC3=C4C=CC(=CC4=NC=C3)Cl)OC	RTKNNLDXXGPNII-UHFFFAOYSA-N
DG68299	"2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)pyrimidin-4-amine"	117827351	SCHEMBL16407088; NSC771762; NSC-771762	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771762	.	.	.	.	477	C25H25ClN6O2	75.6	627	5	34	1	8	6	"InChI=1S/C25H25ClN6O2/c1-33-19-14-18(15-20(16-19)34-2)29-24-6-8-28-25(30-24)32-11-9-31(10-12-32)23-5-7-27-22-13-17(26)3-4-21(22)23/h3-8,13-16H,9-12H2,1-2H3,(H,28,29,30)"	COC1=CC(=CC(=C1)NC2=NC(=NC=C2)N3CCN(CC3)C4=C5C=CC(=CC5=NC=C4)Cl)OC	CKOFWLSFRSAWJU-UHFFFAOYSA-N
DG68300	"N-(7-chloroquinolin-4-yl)-N'-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]ethane-1,2-diamine"	117827472	SCHEMBL16407228; NSC790652; NSC-790652	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790652	.	.	.	.	448	C24H26ClN7	69.2	587	4.7	32	2	7	6	"InChI=1S/C24H26ClN7/c1-31-12-14-32(15-13-31)24-29-21-5-3-2-4-19(21)23(30-24)28-11-10-27-20-8-9-26-22-16-17(25)6-7-18(20)22/h2-9,16H,10-15H2,1H3,(H,26,27)(H,28,29,30)"	CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCCNC4=C5C=CC(=CC5=NC=C4)Cl	QPWBWUHVGPLLMY-UHFFFAOYSA-N
DG68301	CID 117881270	117881270	"cc-671; 1618658-88-0; CC671; 4-((4-(Cyclopentyloxy)-5-(2-methylbenzo[d]oxazol-6-yl)-7H-pyrrolo-[2,3-d]pyrimidin-2-yl)amino)-3-methoxy-N-methylbenzamide; 4-{[4-(Cyclopentyloxy)-5-(2-Methyl-1,3-Benzoxazol-6-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-2-Yl]amino}-3-Methoxy-N-Methylbenzamide; CHEMBL4062218; SCHEMBL16476100; US9623028, Compound 38; BDBM317462; BCP29519; EX-A1868; CC 671; NSC805746; s6768; AKOS037515596; CC 671; CC671; CS-8218; NSC-805746; HY-108709; 4-((4-(cyclopentyloxy)-5-(2-methylbenzo[d]oxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxy-N-methylbenzamide; 4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6-yl)-7H- pyrrolo[2,3-d]pyrimidin-2- ylamino)-3-methoxy-N- methylbenzamide; 4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide; CQ7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805746	.	.	.	.	512.6	C28H28N6O4	127	814	5.2	38	3	8	7	"InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)"	CC1=NC2=C(O1)C=C(C=C2)C3=CNC4=C3C(=NC(=N4)NC5=C(C=C(C=C5)C(=O)NC)OC)OC6CCCC6	CWJLAVRXVFHDSJ-UHFFFAOYSA-N
DG68302	NSC825332	117888634	"N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide; 1599440-33-1; Dxd; UNII-OQM5SD32BQ; OQM5SD32BQ; N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide; N-((1S,9S)-9-Ethyl-5-fluoro-2,3,9,10,13,15-hexahydro-9-hydroxy-4-methyl-10,13-dioxo-1H,12H-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinolin-1-yl)-2-hydroxyacetamide; N-[(1S,9S)-9-Ethyl-5-fluoro-2,3,9,10,13,15-hexahydro-9-hydroxy-4-methyl-10,13-dioxo-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl]-2-hydroxyacetamide; Exatecan derivative for ADC; SCHEMBL16485136; EX-A4319; HY-13631D; NSC825332; AT21797; NSC-825332; AC-32494; CS-0044752; A936339; Acetamide, N-((1S,9S)-9-ethyl-5-fluoro-2,3,9,10,13,15-hexahydro-9-hydroxy-4-methyl-10,13-dioxo-1H,12H-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinolin-1-yl)-2-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	825332	.	.	.	.	493.5	C26H24FN3O6	129	1080	0	36	3	8	3	"InChI=1S/C26H24FN3O6/c1-3-26(35)15-6-19-23-13(8-30(19)24(33)14(15)10-36-25(26)34)22-17(28-20(32)9-31)5-4-12-11(2)16(27)7-18(29-23)21(12)22/h6-7,17,31,35H,3-5,8-10H2,1-2H3,(H,28,32)/t17-,26-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)CO)O	PLXLYXLUCNZSAA-QLXKLKPCSA-N
DG68304	"3-(4-ethynylphenyl)-2-[(E)-2-naphthalen-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one"	117919589	SCHEMBL16526873; SCHEMBL17958956; NSC766317; NSC-766317	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766317	.	.	.	.	399.4	C27H17N3O	45.6	769	5.3	31	0	3	4	"InChI=1S/C27H17N3O/c1-2-19-10-14-23(15-11-19)30-25(29-26-24(27(30)31)8-5-17-28-26)16-12-20-9-13-21-6-3-4-7-22(21)18-20/h1,3-18H/b16-12+"	C#CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=CC=N3)/C=C/C4=CC5=CC=CC=C5C=C4	WPAGGQDJITULGK-FOWTUZBSSA-N
DG68305	"(E)-3-(4-Ethynylphenyl)-2-(3,4,5-trimethoxystyryl)pyrido[2,3-d]pyrimidin-4(3H)-one"	117919590	"SCHEMBL16526874; SCHEMBL17958951; NSC766314; NSC-766314; (E)-3-(4-Ethynylphenyl)-2-(3,4,5-trimethoxystyryl)pyrido[2,3-d]pyrimidin-4(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766314	.	.	.	.	439.5	C26H21N3O4	73.2	781	3.9	33	0	6	7	"InChI=1S/C26H21N3O4/c1-5-17-8-11-19(12-9-17)29-23(28-25-20(26(29)30)7-6-14-27-25)13-10-18-15-21(31-2)24(33-4)22(16-18)32-3/h1,6-16H,2-4H3/b13-10+"	COC1=CC(=CC(=C1OC)OC)/C=C/C2=NC3=C(C=CC=N3)C(=O)N2C4=CC=C(C=C4)C#C	RNGSCLRVDQEDDI-JLHYYAGUSA-N
DG68306	"(E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one"	117928007	"CHEMBL4172015; SCHEMBL16538756; SCHEMBL16538768; NSC765805; NSC-765805; (E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765805	.	.	.	.	408.4	C22H20N2O6	91.9	602	3.4	30	1	7	7	"InChI=1S/C22H20N2O6/c1-26-20-9-14(10-21(27-2)22(20)28-3)16-11-15(23-24-16)5-6-17(25)13-4-7-18-19(8-13)30-12-29-18/h4-11H,12H2,1-3H3,(H,23,24)/b6-5+"	COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)/C=C/C(=O)C3=CC4=C(C=C3)OCO4	PTAVIMHKSPJEHM-AATRIKPKSA-N
DG68307	"(E)-1-(4-aminophenyl)-3-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one"	117928209	CHEMBL4170301; SCHEMBL16538995; SCHEMBL16538998; NSC774981; NSC-774981	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774981	.	.	.	.	349.4	C20H19N3O3	90.2	491	2.9	26	2	5	6	"InChI=1S/C20H19N3O3/c1-25-19-10-5-14(11-20(19)26-2)17-12-16(22-23-17)8-9-18(24)13-3-6-15(21)7-4-13/h3-12H,21H2,1-2H3,(H,22,23)/b9-8+"	COC1=C(C=C(C=C1)C2=NNC(=C2)/C=C/C(=O)C3=CC=C(C=C3)N)OC	IZGZIPOLPNIXJK-CMDGGOBGSA-N
DG68308	"(E)-3-(3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	117928249	"CHEMBL4172882; SCHEMBL16539041; SCHEMBL16539044; NSC774980; NSC-774980; (E)-3-(3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774980	.	.	.	.	424.4	C23H24N2O6	91.9	589	3.5	31	1	7	9	"InChI=1S/C23H24N2O6/c1-27-19-9-6-14(10-20(19)28-2)17-13-16(24-25-17)7-8-18(26)15-11-21(29-3)23(31-5)22(12-15)30-4/h6-13H,1-5H3,(H,24,25)/b8-7+"	COC1=C(C=C(C=C1)C2=NNC(=C2)/C=C/C(=O)C3=CC(=C(C(=C3)OC)OC)OC)OC	OUGBBVPYJAEYDC-BQYQJAHWSA-N
DG68309	"(E)-1-(3,4-dichlorophenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one"	117928280	"CHEMBL4171530; SCHEMBL16539085; NSC765804; NSC-765804; (E)-1-(3,4-dichlorophenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765804	.	.	.	.	433.3	C21H18Cl2N2O4	73.4	565	4.9	29	1	5	7	"InChI=1S/C21H18Cl2N2O4/c1-27-19-9-13(10-20(28-2)21(19)29-3)17-11-14(24-25-17)5-7-18(26)12-4-6-15(22)16(23)8-12/h4-11H,1-3H3,(H,24,25)/b7-5+"	COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)/C=C/C(=O)C3=CC(=C(C=C3)Cl)Cl	CBJAKCBIMXUFGA-FNORWQNLSA-N
DG68310	"(E)-1-(3,4,5-trimethoxyphenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one"	117928316	"CHEMBL4167036; SCHEMBL16539126; SCHEMBL16539128; NSC765812; NSC-765812; (E)-1-(3,4,5-trimethoxyphenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765812	.	.	.	.	454.5	C24H26N2O7	101	620	3.5	33	1	8	10	"InChI=1S/C24H26N2O7/c1-28-19-9-14(10-20(29-2)23(19)32-5)17-13-16(25-26-17)7-8-18(27)15-11-21(30-3)24(33-6)22(12-15)31-4/h7-13H,1-6H3,(H,25,26)/b8-7+"	COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)/C=C/C(=O)C3=CC(=C(C(=C3)OC)OC)OC	ZSGRDEXAWFPNFB-BQYQJAHWSA-N
DG68311	"(E)-1-(3,4-dimethoxyphenyl)-3-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one"	117928347	CHEMBL4164980; SCHEMBL16539165; SCHEMBL16539170; NSC774979; NSC-774979	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774979	.	.	.	.	394.4	C22H22N2O5	82.7	557	3.6	29	1	6	8	"InChI=1S/C22H22N2O5/c1-26-19-9-5-14(11-21(19)28-3)17-13-16(23-24-17)7-8-18(25)15-6-10-20(27-2)22(12-15)29-4/h5-13H,1-4H3,(H,23,24)/b8-7+"	COC1=C(C=C(C=C1)C2=NNC(=C2)/C=C/C(=O)C3=CC(=C(C=C3)OC)OC)OC	ROFXJBJMKPEHEA-BQYQJAHWSA-N
DG68312	"(E)-1-(3,4-dimethoxyphenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one"	117935720	CHEMBL4173660; SCHEMBL16547681; SCHEMBL17924244; NSC768407; NSC-768407	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768407	.	.	.	.	364.4	C21H20N2O4	73.4	504	3.6	27	1	5	7	"InChI=1S/C21H20N2O4/c1-25-17-8-4-14(5-9-17)18-13-16(22-23-18)7-10-19(24)15-6-11-20(26-2)21(12-15)27-3/h4-13H,1-3H3,(H,22,23)/b10-7+"	COC1=CC=C(C=C1)C2=NNC(=C2)/C=C/C(=O)C3=CC(=C(C=C3)OC)OC	ZUOZCBNGBZJKAW-JXMROGBWSA-N
DG68313	Isomer of PT-2977	117947045	"Isomer of PT-2977; CHEMBL4516708; SCHEMBL16560864; BDBM438039; NSC829497; US10597366, Compound 294; NSC-829497; 1672668-51-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	829497	.	.	.	.	383.3	C17H12F3NO4S	95.8	675	2	26	1	8	3	"InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16+,17-/m0/s1"	CS(=O)(=O)C1=C2[C@@H]([C@@H]([C@H](C2=C(C=C1)OC3=CC(=CC(=C3)C#N)F)F)F)O	LOMMPXLFBTZENJ-BBWFWOEESA-N
DG68314	Belzutifan	117947097	"Belzutifan; PT2977; 1672668-24-4; MK-6482; MK6482; PT-2977; UNII-7K28NB895L; 7K28NB895L; 3-[[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]oxy]-5-fluorobenzonitrile; 3-(((1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl)oxy)-5-fluorobenzonitrile; Welireg; 3-{[(1s,2s,3r)-2,3-Difluoro-1-Hydroxy-7-(Methylsulfonyl)-2,3-Dihydro-1h-Inden-4-Yl]oxy}-5-Fluorobenzonitrile; Belzutifan [INN]; Belzutifan [USAN]; CHEMBL4585668; SCHEMBL16560918; GTPL11251; PT 2977 [WHO-DD]; BDBM373040; Pt 2977; EX-A4441; US9896418, Compound 289; XRC66824; NSC825217; WHO 11196; AT14994; compound 2 [PMID: 31282155]; NSC-825217; MK-6482; PT2977; HY-125840; CS-0101119; A935088; Q27456641; 3-((1S,2S,3R)-2,3-Difluoro-1-hydroxy-7-methylsulfonylindan-4-yl)oxy-5-fluoro-benzonitrile; Benzonitrile, 3-(((1S,2S,3R)-2,3-difluoro-2,3-dihydro-1-hydroxy-7-(methylsulfonyl)-1H-inden-4-yl)oxy)-5-fluoro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	825217	.	.	.	.	383.3	C17H12F3NO4S	95.8	675	2	26	1	8	3	"InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1"	CS(=O)(=O)C1=C2[C@@H]([C@@H]([C@@H](C2=C(C=C1)OC3=CC(=CC(=C3)C#N)F)F)F)O	LOMMPXLFBTZENJ-ZACQAIPSSA-N
DG68315	"(E)-1-(4-Methoxyphenyl)-3-(2-(3,4,5-trimethoxyphenylamino)pyridin-3-yl)prop-2-en-1-one"	117992367	"SCHEMBL16616372; NSC761400; NSC-761400; (E)-1-(4-Methoxyphenyl)-3-(2-(3,4,5-trimethoxyphenylamino)pyridin-3-yl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761400	.	.	.	.	420.5	C24H24N2O5	78.9	564	4.4	31	1	7	9	"InChI=1S/C24H24N2O5/c1-28-19-10-7-16(8-11-19)20(27)12-9-17-6-5-13-25-24(17)26-18-14-21(29-2)23(31-4)22(15-18)30-3/h5-15H,1-4H3,(H,25,26)/b12-9+"	COC1=CC=C(C=C1)C(=O)/C=C/C2=C(N=CC=C2)NC3=CC(=C(C(=C3)OC)OC)OC	HDVQKRINGPEGTH-FMIVXFBMSA-N
DG68317	"(R,E)-N-(4-(3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)piperidine-1-carbonyl)phenyl)-4-(dimethylamino)but-2-enamide"	118025540	"THZ531; 1702809-17-3; (R,E)-N-(4-(3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)piperidine-1-carbonyl)phenyl)-4-(dimethylamino)but-2-enamide; CHEMBL4163879; THZ-531; (E)-N-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carbonyl]phenyl]-4-(dimethylamino)but-2-enamide; THZ531 HCl; THZ-531 HCl; SCHEMBL16655248; SCHEMBL16655252; THZ 531; CHEBI:143122; THZ531; THZ 531; AMY16834; BCP28996; CTC80917; EX-A1532; BDBM50528813; NSC821656; s6595; AKOS037648923; NSC-821656; AC-31604; BS-16034; HY-103618; CS-0015451; J3.623.785F; C73275; A902275; (2E)-N-(4-{[(3R)-3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}piperidin-1-yl]carbonyl}phenyl)-4-(dimethylamino)but-2-enamide; (R,E)-N-(4-(3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)piperidine-1-carbonyl)phenyl)-4-(dimethylamino)but-2-enamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	821656	.	.	.	.	558.1	C30H32ClN7O2	106	880	4.1	40	3	6	8	"InChI=1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,8-14,17-18,22,32H,5,7,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/b10-6+/t22-/m1/s1"	CN(C)C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)N2CCC[C@H](C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl	RUBYHLPRZRMTJO-MOVYNIQHSA-N
DG68318	Roblitinib	118036971	"Roblitinib; FGF401; 1708971-55-4; FGF-401; N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide; UNII-M64JF6WMSA; M64JF6WMSA; NVP-FGF401; N-(5-cyano-4-((2-methoxyethyl)amino)pyridin-2-yl)-7-formyl-6-((4-methyl-2-oxopiperazin-1-yl)methyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide; N-[5-Cyano-4-[(2-methoxyethyl)amino]-2-pyridinyl]-7-formyl-3,4-dihydro-6-[(4-methyl-2-oxo-1-piperazinyl)methyl]-1,8-naphthyridine-1(2H)-carboxamide; Roblitinib [INN]; Roblitinib; FGF-401; NVP-FGF-401; GTPL9768; CHEMBL3908979; FGF 401 [WHO-DD]; SCHEMBL16668840; FGF 401; BDBM209325; AMY39077; BCP25143; EX-A1341; Example 83 [US9266883]; NSC804962; s8548; FGF-401; FGF 401; Roblitinib; AKOS032946374; ZINC644165879; ACN-051242; CCG-269749; CS-6853; NSC-804962; AC-29896; BS-16207; HY-101568; US9266883, 83; A903440; Q29213614; N-(5-Cyano-4-(2-methoxyethylamino)pyridin-2-yl)-7-formyl-6-((4-methyl-2-oxopiperazin-1-yl)methyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide; roblitinib;N-(5-cyano-4-((2-methoxyethyl)amino)pyridin-2-yl)-7-formyl-6-((4-methyl-2-oxopiperazin-1-yl)methyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804962	.	.	.	.	506.6	C25H30N8O4	144	865	0.6	37	2	9	8	"InChI=1S/C25H30N8O4/c1-31-7-8-32(23(35)15-31)14-18-10-17-4-3-6-33(24(17)29-21(18)16-34)25(36)30-22-11-20(27-5-9-37-2)19(12-26)13-28-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H2,27,28,30,36)"	CN1CCN(C(=O)C1)CC2=C(N=C3C(=C2)CCCN3C(=O)NC4=NC=C(C(=C4)NCCOC)C#N)C=O	BHKDKKZMPODMIQ-UHFFFAOYSA-N
DG68319	NSC800888	118086034	"N-cyclopropyl-4-[7-[(3-hydroxy-3-methylcyclobutyl)methylamino]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide; CFI-402257; 1610759-22-2; UNII-HE97PTK3Q6; HE97PTK3Q6; CID 118086034; N-cyclopropyl-4-[7-[(3-hydroxy-3-methylcyclobutyl)methylamino]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide; CHEMBL4442392; CHEMBL4469414; CFI402257; SCHEMBL16729234; SCHEMBL17182976; SCHEMBL17190272; SCHEMBL22046104; SCHEMBL22875551; GTPL11664; BCP31204; EX-A2577; BDBM50512456; BDBM50533120; NSC800888; ZINC669678971; CFI 402257; CS-6527; NSC-800888; SB19839; compound 24 [PMID: 27437075]; HY-101340; CFI 402257; CFI402257; J3.619.525H; A906482; 1610677-37-6; Benzamide, N-cyclopropyl-4-(7-(((cis-3-hydroxy-3-methylcyclobutyl)methyl)amino)-5-(3-pyridinyloxy)pyrazolo(1,5-a)pyrimidin-3-yl)-2-methyl-; N-cyclopropyl-4-(7-((((1r,3r)-3-hydroxy-3-methylcyclobutyl)methyl)amino)-5-(pyridin-3-yloxy)pyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzamide; N-Cyclopropyl-4-(7-(((cis-3-hydroxy-3-methylcyclobutyl)methyl)amino)-5-(3-pyridinyloxy)pyrazolo(1,5-a)pyrimidin-3-yl)-2-methylbenzamide; N-Cyclopropyl-4-[7-[[(cis-3-hydroxy-3-methylcyclobutyl)methyl]amino]-5-(3-pyridinyloxy)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800888	.	.	.	.	498.6	C28H30N6O3	114	805	3.6	37	3	7	8	"InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)"	CC1=C(C=CC(=C1)C2=C3N=C(C=C(N3N=C2)NCC4CC(C4)(C)O)OC5=CN=CC=C5)C(=O)NC6CC6	PMQUGSPFUBGJCZ-UHFFFAOYSA-N
DG68320	NSC809971	118157243	"(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid; MIK665; CHEMBL4788274; 1799631-75-6; (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid; S-64315; MIK-665; SCHEMBL16815710; (R)-MIK665; EX-A2912; BDBM50548802; NSC809971; AT23541; HY-112218A; NSC-809971; MIK665; S-64315; HY-112218; CS-0044179; (2R)-2-[5-[3-chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid; (5R)-(R)-2-((5-(3-Chloro-2-methyl-4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl)oxy)-3-(2-((2-(2-methoxyphenyl)pyrimidin-4-yl)methoxy)phenyl)propanoic acid; (5S)-(R)-2-((5-(3-Chloro-2-methyl-4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl)oxy)-3-(2-((2-(2-methoxyphenyl)pyrimidin-4-yl)methoxy)phenyl)propanoic acid; 1799831-02-9; OK5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809971	.	.	.	.	875.4	C47H44ClFN6O6S	161	1390	6.8	62	1	14	16	"InChI=1S/C47H44ClFN6O6S/c1-29-34(16-17-38(42(29)48)59-25-24-55-22-20-54(2)21-23-55)40-41-45(51-28-52-46(41)62-43(40)30-12-14-32(49)15-13-30)61-39(47(56)57)26-31-8-4-6-10-36(31)60-27-33-18-19-50-44(53-33)35-9-5-7-11-37(35)58-3/h4-19,28,39H,20-27H2,1-3H3,(H,56,57)/t39-/m1/s1"	CC1=C(C=CC(=C1Cl)OCCN2CCN(CC2)C)C3=C(SC4=NC=NC(=C34)O[C@H](CC5=CC=CC=C5OCC6=NC(=NC=C6)C7=CC=CC=C7OC)C(=O)O)C8=CC=C(C=C8)F	PKYIMGFMRFVOMB-LDLOPFEMSA-N
DG68321	NSC804861	118169620	"1-(6-(4-fluorobenzyl)-5-(hydroxymethyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-2-((2R,5R)-5-methyl-2-(((R)-3-methylmorpholino)methyl)piperazin-1-yl)ethan-1-one; ASTX660; ASTX-660; 1799328-86-1; ASTX 660; UNII-2LHZ9ZC3YO; 2LHZ9ZC3YO; CHEMBL4173974; 1799328-86-1 (free base); 1-(6-(4-fluorobenzyl)-5-(hydroxymethyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-2-((2R,5R)-5-methyl-2-(((R)-3-methylmorpholino)methyl)piperazin-1-yl)ethan-1-one; 1-(6-(4-Fluorobenzyl)-5-(hydroxymethyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-2-((2R,5R)-5-methyl-2-(((R)-3-methylmorpholino)methyl)piperazin-1-yl)ethanone; Tolinapant; ASTX 660 [WHO-DD]; SCHEMBL16830758; TQP0801; ASTX660; ASTX 660; BCP28730; EX-A2904; BDBM50450046; NSC804861; s8681; CS-8216; NSC-804861; BA166845; HY-109565; A16996; 1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]ethanone; Ethanone, 1-(6-((4-fluorophenyl)methyl)-2,3-dihydro-5-(hydroxymethyl)-3,3-dimethyl-1H-pyrrolo(3,2-b)pyridin-1-yl)-2-((2R,5R)-5-methyl-2-(((3R)-3-methyl-4-morpholinyl)methyl)-1-piperazinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804861	.	.	.	.	539.7	C30H42FN5O3	81.2	824	2.3	39	2	8	7	"InChI=1S/C30H42FN5O3/c1-20-14-35(25(13-32-20)15-34-9-10-39-18-21(34)2)16-28(38)36-19-30(3,4)29-27(36)12-23(26(17-37)33-29)11-22-5-7-24(31)8-6-22/h5-8,12,20-21,25,32,37H,9-11,13-19H2,1-4H3/t20-,21-,25-/m1/s1"	C[C@@H]1CN([C@H](CN1)CN2CCOC[C@H]2C)CC(=O)N3CC(C4=C3C=C(C(=N4)CO)CC5=CC=C(C=C5)F)(C)C	YCXOHEXZVKOGEV-DNRQZRRGSA-N
DG68322	"N4-[1-[(4-cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-fluoro-2,4-Quinolinedicarboxamide"	118191391	"BAY-876; 1799753-84-6; BAY 876; N4-[1-[(4-cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-fluoro-2,4-Quinolinedicarboxamide; BAY876; CHEMBL4448899; N4-(1-(4-Cyanobenzyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-7-fluoroquinoline-2,4-dicarboxamide; SCHEMBL16855691; BAY- 876; BCP25065; EX-A1302; BDBM50514308; MFCD30377201; NSC793149; s8452; ZINC521836459; CCG-269665; CS-5809; NSC-793149; SB19770; NCGC00488701-01; AS-74997; BB166031; BAY-876, >=98% (HPLC); HY-100017; W14776; A900823; 2,4-Quinolinedicarboxamide, N4-[1-[(4-cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-fluoro-; 4-N-[1-[(4-cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide; N4-{1-[(4-cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}-7-fluoroquinoline-2,4-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	793149	.	.	.	.	496.4	C24H16F4N6O2	127	870	3.3	36	2	9	5	"InChI=1S/C24H16F4N6O2/c1-12-20(21(24(26,27)28)33-34(12)11-14-4-2-13(10-29)3-5-14)32-23(36)17-9-19(22(30)35)31-18-8-15(25)6-7-16(17)18/h2-9H,11H2,1H3,(H2,30,35)(H,32,36)"	CC1=C(C(=NN1CC2=CC=C(C=C2)C#N)C(F)(F)F)NC(=O)C3=CC(=NC4=C3C=CC(=C4)F)C(=O)N	BKLJDIJJOOQUFG-UHFFFAOYSA-N
DG68323	Bms-986158	118196485	"BMS-986158; 1800340-40-2; UNII-X8BW0MQ5PI; X8BW0MQ5PI; Bet inhibitor BMS-986158; (S)-2-(3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-(phenyl(tetrahydro-2H-pyran-4-yl)methyl)-5H-pyrido[3,2-b]indol-7-yl)propan-2-ol; BMS986158; 2-[3-(3,5-dimethyltriazol-4-yl)-5-[(S)-oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol; 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol; CHEMBL4297458; SCHEMBL16861831; GTPL11757; BDBM296947; BDBM297146; 2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[oxan-4-yl(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl]propan-2-ol; AXC34040; EX-A2678; US10112941, Example 54; US10112941, Example 90; NSC801230; s9691; US10112941, Example 262; CS-7497; DB15435; NSC-801230; compound 18 [PMID: 34543572]; HY-101567; Q29208626; 2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl]-5-[(S)-oxan-4-yl(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol; 5H-Pyrido(3,2-b)indole-7-methanol, 3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-alpha,alpha-dimethyl-5-((S)-phenyl(tetrahydro-2H-pyran-4-yl)methyl)-; YWA"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801230	.	.	.	.	495.6	C30H33N5O2	78	769	4.1	37	1	5	5	"InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1"	CC1=C(N(N=N1)C)C2=CC3=C(C4=C(N3[C@@H](C5CCOCC5)C6=CC=CC=C6)C=C(C=C4)C(C)(C)O)N=C2	KGERZPVQIRYWRK-GDLZYMKVSA-N
DG68324	CID 118203189	118203189	OT-82; 1800487-55-1; OT82; SCHEMBL16869651; NSC826040; NSC-826040; HY-136241; CS-0120951; 3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-4-ylbenzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	826040	.	.	.	.	424.5	C26H21FN4O	70.7	659	4.5	32	2	4	8	"InChI=1S/C26H21FN4O/c27-24-8-4-19(5-9-24)3-6-22-16-23(7-10-25(22)21-11-14-28-15-12-21)26(32)29-13-1-2-20-17-30-31-18-20/h4-5,7-12,14-18H,1-2,13H2,(H,29,32)(H,30,31)"	C1=CC(=CC=C1C#CC2=C(C=CC(=C2)C(=O)NCCCC3=CNN=C3)C4=CC=NC=C4)F	CEPAXRIKSUXHHB-UHFFFAOYSA-N
DG68325	NSC826119	118211239	"Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]-N-[2-hydroxy-1-(hydroxymethyl)ethyl]pyridine-3-carboxamide; PF-06952229; 1801333-55-0; Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]-N-[2-hydroxy-1-(hydroxymethyl)ethyl]pyridine-3-carboxamide; SCHEMBL16879380; BDBM280355; EX-A5069; US10030004, Compound 22; NSC826119; NSC-826119; HY-136244; CS-0120989; PF06952229; 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyridin-4-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	826119	.	.	.	.	458.9	C23H24ClFN4O3	107	598	3.4	32	4	7	8	"InChI=1S/C23H24ClFN4O3/c1-13(2)17-10-27-21(16-7-14(24)3-4-19(16)25)8-22(17)29-20-5-6-26-9-18(20)23(32)28-15(11-30)12-31/h3-10,13,15,30-31H,11-12H2,1-2H3,(H,28,32)(H,26,27,29)"	CC(C)C1=CN=C(C=C1NC2=C(C=NC=C2)C(=O)NC(CO)CO)C3=C(C=CC(=C3)Cl)F	IPBLCOKXDQHSQW-UHFFFAOYSA-N
DG68326	Emavusertib	118224491	"Emavusertib; 1801344-14-8; MH5DMF9JKY; UNII-MH5DMF9JKY; CA4948; CHEMBL4783351; 4-Oxazolecarboxamide, N-[5-[(3R)-3-hydroxy-1-pyrrolidinyl]-2-(4-morpholinyl)oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-; AU-4948; (R)-N-(5-(3-Hydroxypyrrolidin-1-yl)-2-morpholinooxazolo[4,5-b]pyridin-6-yl)-2-(2-methylpyridin-4-yl)oxazole-4-carboxamide; 2-(2-methylpyridin-4-yl)-N-[2-morpholin-4-yl-5-[(3R)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide; N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxamide; 4-Oxazolecarboxamide, N-(5-((3R)-3-hydroxy-1-pyrrolidinyl)-2-(4-morpholinyl)oxazolo(4,5-b)pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-; Emavusertib [INN]; Emavusertib(CA-4948); Emavusertib (CA-4948); SCHEMBL16896638; GTPL10152; EX-A4736; AU4948; BDBM50547964; NSC824184; s9779; NSC-824184; compound 24 [PMID: 33335659]; HY-135317; CS-0111301; A937061; FJ0; N-(5-((3R)-3-Hydroxy-1-pyrrolidinyl)-2-(4-morpholinyl)oxazolo(4,5-b)pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-4-oxazolecarboxamide; N-(5-((3R)-3-Hydroxypyrrolidin-1-yl)-2-(morpholin-4- yl)(1,3)oxazolo(4,5-b)pyridin-6-yl)-2-(2-methylpyridin-4- YL)-1,3-oxazole-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	824184	.	.	.	.	491.5	C24H25N7O5	143	773	1.7	36	2	11	5	"InChI=1S/C24H25N7O5/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33)/t16-/m1/s1"	CC1=NC=CC(=C1)C2=NC(=CO2)C(=O)NC3=CC4=C(N=C3N5CC[C@H](C5)O)N=C(O4)N6CCOCC6	SJHNWSAWWOAWJH-MRXNPFEDSA-N
DG68327	Bet-IN-4	118224658	"ODM-207; BET-IN-4; 1801503-93-4; 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one; ODM207; SCHEMBL16896828; EX-A5797; NSC818620; NSC-818620; HY-111916; CS-0093944; 6-(3,5-Dimethylisoxazol-4-yl)-7-methoxy-3-methyl-1-(pyridin-2-ylmethyl)quinolin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	818620	.	.	.	.	375.4	C22H21N3O3	68.5	610	3.2	28	0	5	4	"InChI=1S/C22H21N3O3/c1-13-9-16-10-18(21-14(2)24-28-15(21)3)20(27-4)11-19(16)25(22(13)26)12-17-7-5-6-8-23-17/h5-11H,12H2,1-4H3"	CC1=CC2=CC(=C(C=C2N(C1=O)CC3=CC=CC=N3)OC)C4=C(ON=C4C)C	YVGWSVHZXWFLIT-UHFFFAOYSA-N
DG68328	"6-(4-Azanyl-4-Methyl-Piperidin-1-Yl)-3-[2,3-Bis(Chloranyl)phenyl]pyrazin-2-Amine"	118238298	"SHP099; 1801747-42-1; 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine; SHP-099; 6-(4-Azanyl-4-Methyl-Piperidin-1-Yl)-3-[2,3-Bis(Chloranyl)phenyl]pyrazin-2-Amine; MFCD29059453; 6-(4-Amino-4-methyl-1-piperidinyl)-3-(2,3-dichlorophenyl)-2-pyrazinamine; 5OD; SHP099 free base; SHP099 2HCl; SHP-099 2HCl; CHEMBL4060033; SCHEMBL16914284; BDBM38019; US10093646, Compound 1; BCP18366; BXC74742; EX-A1067; NSC804254; s6388; ZINC521836467; CS-5684; NSC-804254; SB18819; BS-16291; SY251378; DB-107836; HY-100388; A901187; Q27455906; 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amin; 2-Pyrazinamine, 6-(4-amino-4-methyl-1-piperidinyl)-3-(2,3-dichlorophenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804254	.	.	.	.	352.3	C16H19Cl2N5	81.1	402	2.6	23	2	5	2	"InChI=1S/C16H19Cl2N5/c1-16(20)5-7-23(8-6-16)12-9-21-14(15(19)22-12)10-3-2-4-11(17)13(10)18/h2-4,9H,5-8,20H2,1H3,(H2,19,22)"	CC1(CCN(CC1)C2=CN=C(C(=N2)N)C3=C(C(=CC=C3)Cl)Cl)N	YGUFCDOEKKVKJK-UHFFFAOYSA-N
DG68329	Fpjworqegi	118238370	"TNO155; 1801765-04-7; FPJWORQEGI; TNO-155; SHP2 inhibitor TNO155; PTPN11 inhibitor TNO155; UNII-FPJWORQEGI; (3S,4S)-8-[6-amino-5-(2-amino-3-chloropyridin-4-yl)sulfanylpyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine; (3S,4S)-8-[6-Amino-5-[(2-amino-3-chloro-4-pyridinyl)thio]-2-pyrazinyl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine; (3S,4S)-8-(6-Amino-5-((2-amino-3-chloropyridin-4-yl)thio)pyrazin-2-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine; (3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine; (3S,4S)-8-(6-Amino-5-((2-amino-3-chloropyridin-4-yl)sulfanyl)pyrazin-2-yl)-3-methyl-2-oxa-8-azaspiro(4.5)decan-4-amine; CHEMBL4650521; SCHEMBL16914359; BCP33299; EX-A3645; TNO-155; TNO 155; BDBM50553783; MFCD32693919; NSC825523; s8987; NSC-825523; HY-136173; CS-0120271; D81634; VKS"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	825523	.	.	.	.	421.9	C18H24ClN7OS	155	538	1.3	28	3	9	3	"InChI=1S/C18H24ClN7OS/c1-10-14(20)18(9-27-10)3-6-26(7-4-18)12-8-24-17(16(22)25-12)28-11-2-5-23-15(21)13(11)19/h2,5,8,10,14H,3-4,6-7,9,20H2,1H3,(H2,21,23)(H2,22,25)/t10-,14+/m0/s1"	C[C@H]1[C@H](C2(CCN(CC2)C3=CN=C(C(=N3)N)SC4=C(C(=NC=C4)N)Cl)CO1)N	UCJZOKGUEJUNIO-IINYFYTJSA-N
DG68330	NSC794499	118245680	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 3,4,5-trimethoxybenzoate; SCHEMBL16922754; NSC794499; NSC-794499"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794499	.	.	.	.	458.5	C25H30O8	92.8	792	3.2	33	0	8	7	"InChI=1S/C25H30O8/c1-14-17-9-8-15(7-6-10-25(2)22(33-25)20(17)32-23(14)26)13-31-24(27)16-11-18(28-3)21(30-5)19(12-16)29-4/h7,11-12,17,20,22H,1,6,8-10,13H2,2-5H3/b15-7+/t17-,20-,22-,25+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)C4=CC(=C(C(=C4)OC)OC)OC	VHJORWJMXQMECE-SVEUIFQESA-N
DG68331	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 4-bromobenzoate"	118245681	SCHEMBL16922755; NSC794500; NSC-794500	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794500	.	.	.	.	447.3	C22H23BrO5	65.099	693	4	28	0	5	4	"InChI=1S/C22H23BrO5/c1-13-17-10-5-14(12-26-21(25)15-6-8-16(23)9-7-15)4-3-11-22(2)19(28-22)18(17)27-20(13)24/h4,6-9,17-19H,1,3,5,10-12H2,2H3/b14-4+/t17-,18-,19-,22+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)C4=CC=C(C=C4)Br	MVSMKTWHTFYUJB-ICYKCNJTSA-N
DG68332	NSC794507	118245682	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 6-chloropyridine-3-carboxylate; SCHEMBL16922756; NSC794507; NSC-794507"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794507	.	.	.	.	403.9	C21H22ClNO5	78	707	3.2	28	0	6	4	"InChI=1S/C21H22ClNO5/c1-12-15-7-5-13(11-26-20(25)14-6-8-16(22)23-10-14)4-3-9-21(2)18(28-21)17(15)27-19(12)24/h4,6,8,10,15,17-18H,1,3,5,7,9,11H2,2H3/b13-4+/t15-,17-,18-,21+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)C4=CN=C(C=C4)Cl	BNYKEZCBAUBBRH-DMGCQCMDSA-N
DG68333	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 4-cyanobenzoate"	118245683	CHEMBL4087003; SCHEMBL16922757; NSC794506; NSC-794506	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794506	.	.	.	.	393.4	C23H23NO5	88.9	784	3	29	0	6	4	"InChI=1S/C23H23NO5/c1-14-18-10-7-16(13-27-22(26)17-8-5-15(12-24)6-9-17)4-3-11-23(2)20(29-23)19(18)28-21(14)25/h4-6,8-9,18-20H,1,3,7,10-11,13H2,2H3/b16-4+/t18-,19-,20-,23+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)C4=CC=C(C=C4)C#N	SSHPQCSKLJWWJH-RAZIKTDJSA-N
DG68334	NSC794504	118245685	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl naphthalene-1-carboxylate; SCHEMBL16922759; NSC794504; NSC-794504"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794504	.	.	.	.	418.5	C26H26O5	65.099	785	4.6	31	0	5	4	"InChI=1S/C26H26O5/c1-16-19-13-12-17(7-6-14-26(2)23(31-26)22(19)30-24(16)27)15-29-25(28)21-11-5-9-18-8-3-4-10-20(18)21/h3-5,7-11,19,22-23H,1,6,12-15H2,2H3/b17-7+/t19-,22-,23-,26+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)C4=CC=CC5=CC=CC=C54	OYWRSLSZAHNCAY-AKYDVEDYSA-N
DG68335	NSC783239	118245694	"2-(1H-indol-3-yl)-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]acetamide; SCHEMBL16922768; NSC783239; NSC-783239"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783239	.	.	.	.	420.5	C25H28N2O4	83.7	792	2.8	31	2	4	4	"InChI=1S/C25H28N2O4/c1-15-18-10-9-16(6-5-11-25(2)23(31-25)22(18)30-24(15)29)13-27-21(28)12-17-14-26-20-8-4-3-7-19(17)20/h3-4,6-8,14,18,22-23,26H,1,5,9-13H2,2H3,(H,27,28)/b16-6+/t18-,22-,23-,25+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CNC(=O)CC4=CNC5=CC=CC=C54	DRTLIBIRMGIUCE-MGBUXPJDSA-N
DG68336	NSC785224	118245695	"5-methoxy-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]-1H-indole-2-carboxamide; SCHEMBL16922769; NSC785224; NSC-785224"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785224	.	.	.	.	436.5	C25H28N2O5	93	825	3.2	32	2	5	4	"InChI=1S/C25H28N2O5/c1-14-18-8-6-15(5-4-10-25(2)22(32-25)21(18)31-24(14)29)13-26-23(28)20-12-16-11-17(30-3)7-9-19(16)27-20/h5,7,9,11-12,18,21-22,27H,1,4,6,8,10,13H2,2-3H3,(H,26,28)/b15-5+/t18-,21-,22-,25+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CNC(=O)C4=CC5=C(N4)C=CC(=C5)OC	DAUCUNPWRPIBQZ-LYIDXHOBSA-N
DG68337	NSC783241	118245696	"N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]-1H-indole-2-carboxamide; SCHEMBL16922770; NSC783241; NSC-783241"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783241	.	.	.	.	406.5	C24H26N2O4	83.7	777	3.2	30	2	4	3	"InChI=1S/C24H26N2O4/c1-14-17-10-9-15(6-5-11-24(2)21(30-24)20(17)29-23(14)28)13-25-22(27)19-12-16-7-3-4-8-18(16)26-19/h3-4,6-8,12,17,20-21,26H,1,5,9-11,13H2,2H3,(H,25,27)/b15-6+/t17-,20-,21-,24+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CNC(=O)C4=CC5=CC=CC=C5N4	SZLXOKSHVKHXLG-SSZMZQGMSA-N
DG68338	NSC784216	118245698	"(E)-3-(2,4-dichlorophenyl)-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]prop-2-enamide; SCHEMBL16922772; NSC784216; NSC-784216"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	784216	.	.	.	.	462.4	C24H25Cl2NO4	67.9	809	4.4	31	1	4	4	"InChI=1S/C24H25Cl2NO4/c1-14-18-9-5-15(4-3-11-24(2)22(31-24)21(18)30-23(14)29)13-27-20(28)10-7-16-6-8-17(25)12-19(16)26/h4,6-8,10,12,18,21-22H,1,3,5,9,11,13H2,2H3,(H,27,28)/b10-7+,15-4+/t18-,21-,22-,24+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CNC(=O)/C=C/C4=C(C=C(C=C4)Cl)Cl	QJJHBYVNAGTFQD-BHJMIJSQSA-N
DG68339	NSC783913	118245700	"5-fluoro-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]-1H-indole-3-carboxamide; SCHEMBL16922774; NSC783913; NSC-783913"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783913	.	.	.	.	424.5	C24H25FN2O4	83.7	813	3	31	2	5	3	"InChI=1S/C24H25FN2O4/c1-13-16-7-5-14(4-3-9-24(2)21(31-24)20(16)30-23(13)29)11-27-22(28)18-12-26-19-8-6-15(25)10-17(18)19/h4,6,8,10,12,16,20-21,26H,1,3,5,7,9,11H2,2H3,(H,27,28)/b14-4+/t16-,20-,21-,24+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CNC(=O)C4=CNC5=C4C=C(C=C5)F	YGQTUTPSADVZHT-ILIMOEPOSA-N
DG68340	NSC783914	118245701	"N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]naphthalene-2-sulfonamide; SCHEMBL16922775; NSC783914; NSC-783914"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783914	.	.	.	.	453.6	C25H27NO5S	93.4	906	3.7	32	1	6	4	"InChI=1S/C25H27NO5S/c1-16-21-12-9-17(6-5-13-25(2)23(31-25)22(21)30-24(16)27)15-26-32(28,29)20-11-10-18-7-3-4-8-19(18)14-20/h3-4,6-8,10-11,14,21-23,26H,1,5,9,12-13,15H2,2H3/b17-6+/t21-,22-,23-,25+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CNS(=O)(=O)C4=CC5=CC=CC=C5C=C4	IZHXIGLMSGTKPT-FPISHOKTSA-N
DG68341	NSC783915	118245702	"(E)-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide; SCHEMBL16922776; NSC783915; NSC-783915"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783915	.	.	.	.	483.6	C27H33NO7	95.6	869	3.1	35	1	7	7	"InChI=1S/C27H33NO7/c1-16-19-10-8-17(7-6-12-27(2)25(35-27)23(19)34-26(16)30)15-28-22(29)11-9-18-13-20(31-3)24(33-5)21(14-18)32-4/h7,9,11,13-14,19,23,25H,1,6,8,10,12,15H2,2-5H3,(H,28,29)/b11-9+,17-7+/t19-,23-,25-,27+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CNC(=O)/C=C/C4=CC(=C(C(=C4)OC)OC)OC	NDUDLZBGNUOZOU-MQNCMPQBSA-N
DG68343	N-(2-aminophenyl)-4-[4-[4-(2-hydrazinylethyl)anilino]-4-oxobutyl]benzamide	118362845	SCHEMBL17073035; NSC782118; NSC-782118	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782118	.	.	.	.	431.5	C25H29N5O2	122	571	2.6	32	5	5	10	"InChI=1S/C25H29N5O2/c26-22-5-1-2-6-23(22)30-25(32)20-12-8-18(9-13-20)4-3-7-24(31)29-21-14-10-19(11-15-21)16-17-28-27/h1-2,5-6,8-15,28H,3-4,7,16-17,26-27H2,(H,29,31)(H,30,32)"	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CCCC(=O)NC3=CC=C(C=C3)CCNN	VNSRIYJQKXIAJK-UHFFFAOYSA-N
DG68344	4-[4-[4-(2-aminocyclopropyl)anilino]-4-oxobutyl]-N-(2-aminophenyl)benzamide	118362864	CHEMBL4791172; SCHEMBL17073055; BCP30529; BDBM50548040; NSC785589; NSC-785589	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785589	.	.	.	.	428.5	C26H28N4O2	110	625	2.8	32	4	4	8	"InChI=1S/C26H28N4O2/c27-22-5-1-2-6-24(22)30-26(32)19-10-8-17(9-11-19)4-3-7-25(31)29-20-14-12-18(13-15-20)21-16-23(21)28/h1-2,5-6,8-15,21,23H,3-4,7,16,27-28H2,(H,29,31)(H,30,32)"	C1C(C1N)C2=CC=C(C=C2)NC(=O)CCCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N	TYTLARZOLKJSJU-UHFFFAOYSA-N
DG68345	GNE-140 (racemate)	118384725	"GNE-140 (racemate); 1802977-61-2; GNE-140 racemate; CHEMBL3335792; 3-((2-chlorophenyl)thio)-6-(4-morpholinophenyl)-6-(thiophen-3-yl)piperidine-2,4-dione; 3-(2-chlorophenyl)sulfanyl-6-(4-morpholin-4-ylphenyl)-6-thiophen-3-ylpiperidine-2,4-dione; SCHEMBL17100418; EX-A4967; BDBM50103567; NSC799908; CS-5958; NSC-799908; SB18723; AS-57056; BG166816; HY-100742; W19664; 3-[(2-chlorophenyl)sulfanyl]-6-[4-(morpholin-4-yl)phenyl]-6-(thiophen-3-yl)piperidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799908	.	.	.	.	499	C25H23ClN2O3S2	112	714	4.6	33	1	6	5	"InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,23H,10-13,15H2,(H,27,30)"	C1COCCN1C2=CC=C(C=C2)C3(CC(=O)C(C(=O)N3)SC4=CC=CC=C4Cl)C5=CSC=C5	GLDDJXYFHWRGPI-UHFFFAOYSA-N
DG68346	Mevociclib	118426108	"Mevociclib; SY-1365; 1816989-16-8; UNII-704LW082GI; CHEMBL4582951; 704LW082GI; SY1365; 1816989-16-8 (free base); N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]-5-[[(E)-4-(dimethylamino)but-2-enoyl]amino]pyridine-2-carboxamide; N-[(1S,3R)-3-[[5-Chloro-4-(1H-indol-3-yl)-2-pyrimidinyl]amino]-1-methylcyclohexyl]-5-[[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]amino]-2-pyridinecarboxamide; Mevociclib [INN]; N-((1S,3R)-3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)-1-methylcyclohexyl)-5-(((E)-4-(dimethylamino)but-2-enoyl)amino)pyridine-2-carboxamide; SCHEMBL17150697; GTPL10467; EX-A3114; BDBM50528812; NSC830173; ZB1598; NSC-830173; compound 264 [WO2015154039A2]; HY-128587; CS-0095954; A930233; 2-Pyridinecarboxamide, N-((1S,3R)-3-((5-chloro-4-(1H-indol-3-yl)-2-pyrimidinyl)amino)-1-methylcyclohexyl)-5-(((2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl)amino)-; N-((1S,3R)-3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)-1-methylcyclohexyl)-5-((E)-4-(dimethylamino)but-2-enamido)picolinamide; N-((1S,3R)-3-(5-Chloro-4-(1H-indol-3-yl)-pyrimidin-2-ylamino)-1-methylcyclohexyl)-5-((E)-4-(dimethylamino)but-2-enamido)picolinamide; N-((1S,3R)-3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-1-methylcyclohexyl)-5-((E)-4-(dimethylamino)but-2-enamido)picolinamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	830173	.	.	.	.	587.1	C31H35ClN8O2	128	952	4.2	42	4	7	9	"InChI=1S/C31H35ClN8O2/c1-31(39-29(42)26-13-12-21(17-33-26)36-27(41)11-7-15-40(2)3)14-6-8-20(16-31)37-30-35-19-24(32)28(38-30)23-18-34-25-10-5-4-9-22(23)25/h4-5,7,9-13,17-20,34H,6,8,14-16H2,1-3H3,(H,36,41)(H,39,42)(H,35,37,38)/b11-7+/t20-,31+/m1/s1"	C[C@@]1(CCC[C@H](C1)NC2=NC=C(C(=N2)C3=CNC4=CC=CC=C43)Cl)NC(=O)C5=NC=C(C=C5)NC(=O)/C=C/CN(C)C	SCJNYBYSTCRPAO-LXBQGUBHSA-N
DG68347	NSC830202	118434635	"(2R,4R)-1-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid; BMS-1166; 1818314-88-3; BMS1166; (2R,4R)-1-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid; (2R,4R)-1-(5-Chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-methylbenzyl)oxy)benzyl)-4-hydroxypyrrolidine-2-carboxylic acid; GTPL9608; CHEMBL4071326; SCHEMBL17161416; EX-A3096; NSC830202; s8859; ZB1577; NSC-830202; compound 2c [PMID: 28613862]; HY-102011; CS-0022454; Example 1166 [WO2015160641A2]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	830202	.	.	.	.	641.1	C36H33ClN2O7	122	1060	3.6	46	2	9	10	"InChI=1S/C36H33ClN2O7/c1-22-26(6-3-7-29(22)25-8-9-32-35(14-25)44-11-10-43-32)21-46-34-16-33(45-20-24-5-2-4-23(12-24)17-38)27(13-30(34)37)18-39-19-28(40)15-31(39)36(41)42/h2-9,12-14,16,28,31,40H,10-11,15,18-21H2,1H3,(H,41,42)/t28-,31-/m1/s1"	CC1=C(C=CC=C1C2=CC3=C(C=C2)OCCO3)COC4=C(C=C(C(=C4)OCC5=CC(=CC=C5)C#N)CN6C[C@@H](C[C@@H]6C(=O)O)O)Cl	QBXVXKRWOVBUDB-GRKNLSHJSA-N
DG68348	"2,2,4-trimethyl-8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-methylsulfonyl-1,4-benzoxazin-3-one"	118467751	"INCB-057643; INCB057643; 1820889-23-3; UNII-87TZD0JEBS; 87TZD0JEBS; 2,2,4-trimethyl-8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-methylsulfonyl-1,4-benzoxazin-3-one; 2,2,4-trimethyl-8-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(methylsulfonyl)-2H-benzo[b][1,4]oxazin-3(4H)-one; 2,2,4-Trimethyl-8-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo(2,3-C)pyridin-4-yl)-6-(methylsulfonyl)-2H-benzo(b)(1,4)oxazin-3(4H)-one; INCB 057643; CHEMBL4594412; SCHEMBL17200525; US9957268, Example 75; BDBM391587; BCP29506; EX-A1908; NSC807398; s8714; AKOS037515683; NSC-807398; BI166425; BS-16298; HY-111485; CS-0042192; INCB057643; INCB 057643; D80635; 2,2,4-trimethyl-8-(6-methyl-7- oxo-6,7-dihydro-1H- pyrrolo[2,3-c]pyridin-4-yl)-6- (methylsulfonyl)-2H-1,4- benzoxazin-3(4H)-one; 2H-1,4-Benzoxazin-3(4H)-one, 8-(6,7-dihydro-6-methyl-7-oxo-1H-pyrrolo(2,3-C)pyridin-4-yl)-2,2,4-trimethyl-6-(methylsulfonyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	807398	.	.	.	.	415.5	C20H21N3O5S	108	862	0.8	29	1	5	2	"InChI=1S/C20H21N3O5S/c1-20(2)19(25)23(4)15-9-11(29(5,26)27)8-13(17(15)28-20)14-10-22(3)18(24)16-12(14)6-7-21-16/h6-10,21H,1-5H3"	CC1(C(=O)N(C2=CC(=CC(=C2O1)C3=CN(C(=O)C4=C3C=CN4)C)S(=O)(=O)C)C)C	VZSAMEOETVNDQH-UHFFFAOYSA-N
DG68349	Luxeptinib	118480924	"Luxeptinib; CG806; UNII-TQ6PBX1JU0; TQ6PBX1JU0; CG026806; 1616428-23-9; CG-026806; 1-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]-3-(2,4,6-trifluorophenyl)urea; Luxeptinib [USAN]; CHEMBL4594420; SCHEMBL17219212; US9758508, Compound 7; GTPL11671; BDBM340031; example 7 [US9758508B2]; NSC791692; NSC834160; WHO 11799; NSC-791692; NSC-834160; HY-139535; CS-0204021; D96116; 1-{3-fluoro-4-[7-(5-methyl-1H-imidazol-2- yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl]- phenyl}-3-(2,4,6-trifluoro-phenyl)-urea; 3-{3-FLUORO-4-[7-(4-METHYL-1H-IMIDAZOL-2-YL)-1-OXO-2,3-DIHYDRO-1H-ISOINDOL-4-YL]PHENYL-1-(2,4,6-TRIFLUOROPHENYL)UREA; Urea, N-(4-(2,3-dihydro-7-(5-methyl-1H-imidazol-2-yl)-1-oxo-1H-isoindol-4-yl)-3-fluorophenyl)-N'-(2,4,6-trifluorophenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791692	.	.	.	.	495.4	C25H17F4N5O2	98.9	811	3.6	36	4	7	4	"InChI=1S/C25H17F4N5O2/c1-11-9-30-23(32-11)16-5-4-14(17-10-31-24(35)21(16)17)15-3-2-13(8-18(15)27)33-25(36)34-22-19(28)6-12(26)7-20(22)29/h2-9H,10H2,1H3,(H,30,32)(H,31,35)(H2,33,34,36)"	CC1=CN=C(N1)C2=C3C(=C(C=C2)C4=C(C=C(C=C4)NC(=O)NC5=C(C=C(C=C5F)F)F)F)CNC3=O	MWHHJYUHCZWSLS-UHFFFAOYSA-N
DG68350	"(Z)-3-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	118495350	SCHEMBL17237049; NSC777180; NSC-777180	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777180	.	.	.	.	565.6	C31H35NO9	103	810	6	41	1	10	14	"InChI=1S/C31H35NO9/c1-34-24-14-19(9-10-20-15-25(35-2)30(40-7)26(16-20)36-3)13-22(29(24)39-6)32-12-11-23(33)21-17-27(37-4)31(41-8)28(18-21)38-5/h9-18,32H,1-8H3/b10-9-,12-11-"	COC1=CC(=CC(=C1OC)N/C=C\\C(=O)C2=CC(=C(C(=C2)OC)OC)OC)/C=C\\C3=CC(=C(C(=C3)OC)OC)OC	QWBGUVNTTVHMIG-BASFJDSNSA-N
DG68351	"(Z)-3-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one"	118495414	SCHEMBL17237117; NSC773189; NSC-773189	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773189	.	.	.	.	559.5	C29H28F3NO7	84.5	817	7.2	40	1	11	12	"InChI=1S/C29H28F3NO7/c1-35-24-15-18(6-7-19-16-25(36-2)28(39-5)26(17-19)37-3)14-22(27(24)38-4)33-13-12-23(34)20-8-10-21(11-9-20)40-29(30,31)32/h6-17,33H,1-5H3/b7-6-,13-12-"	COC1=CC(=CC(=C1OC)N/C=C\\C(=O)C2=CC=C(C=C2)OC(F)(F)F)/C=C\\C3=CC(=C(C(=C3)OC)OC)OC	KIJWMKUMQQQTHR-ASZCUJMBSA-N
DG68352	"(Z)-3-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one"	118500926	SCHEMBL17244225; NSC777183; NSC-777183	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777183	.	.	.	.	514.6	C30H30N2O6	91	792	6.2	38	2	7	11	"InChI=1S/C30H30N2O6/c1-34-26-15-19(10-11-20-16-27(35-2)30(38-5)28(17-20)36-3)14-24(29(26)37-4)31-13-12-25(33)22-18-32-23-9-7-6-8-21(22)23/h6-18,31-32H,1-5H3/b11-10-,13-12-"	COC1=CC(=CC(=C1OC)N/C=C\\C(=O)C2=CNC3=CC=CC=C32)/C=C\\C4=CC(=C(C(=C4)OC)OC)OC	HQCVZJHJEMWQSA-FQEMRORKSA-N
DG68353	NSC792956	118502708	"2H-Imidazo[4,5-c]quinolin-2-one, 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1,3-dihydro-3-methyl-1-(tetrahydro-2H-pyran-4-yl)-; AZD0156; 1821428-35-6; AZD-0156; UNII-P5T0XWC07Z; P5T0XWC07Z; 2H-Imidazo[4,5-c]quinolin-2-one, 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1,3-dihydro-3-methyl-1-(tetrahydro-2H-pyran-4-yl)-; 8-[6-[3-(dimethylamino)propoxy]pyridin-3-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one; 8-(6-(3-(dimethylamino)propoxy)pyridin-3-yl)-3-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one; GTPL9942; CHEMBL3960662; SCHEMBL17246146; AZD 0156 [WHO-DD]; BDBM245474; BCP18990; EX-A1321; WXC42835; MFCD30470661; NSC792956; s8375; AKOS030629510; ZINC498035578; CS-5889; NSC-792956; SB19769; AZD0156 (AZD-0156); AC-32949; AS-35329; compound 64  [PMID: 29683659]; DS-017163; HY-100016; A16419; US9428503, 1; A904447; 8-[6-(3-Dimethylaminopropoxy)pyridin-3-yl]-3-methyl-1-(oxan-4-yl)imidazo[5,4-c]quinolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	792956	.	.	.	.	461.6	C26H31N5O3	71	687	2.9	34	0	6	7	"InChI=1S/C26H31N5O3/c1-29(2)11-4-12-34-24-8-6-19(16-28-24)18-5-7-22-21(15-18)25-23(17-27-22)30(3)26(32)31(25)20-9-13-33-14-10-20/h5-8,15-17,20H,4,9-14H2,1-3H3"	CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4CCOCC4)C5=CN=C(C=C5)OCCCN(C)C	AOTRIQLYUAFVSC-UHFFFAOYSA-N
DG68354	"(E)-3-(4-((2-(2-(1,1-difluoroethyl)-4-fluorophenyl)-6-hydroxybenzo[b]thiophen-3-yl)oxy)phenyl)acrylic acid"	118574930	"LSZ-102; LSZ102; 2135600-76-7; UNII-0Y175XGX4P; 0Y175XGX4P; (E) -3- (4-((2-(2- (1,1-Difluoroethyl)-4-fluorophenyl)-6-hydroxybenzo[b]thiophen-3-yl)oxy)phenyl)acrylic Acid; (E)-3-(4-((2-(2-(1,1-difluoroethyl)-4-fluorophenyl)-6-hydroxybenzo[b]thiophen-3-yl)oxy)phenyl)acrylic acid; CHEMBL4076124; SCHEMBL17334098; LSZ 102; BDBM269484; BCP29222; EX-A1874; NSC814025; DB15362; NSC-814025; BL166455; HY-111486; CS-0042193; US10058534, 139; Q50825475; (2E)-3-[4-({2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-6-hydroxy-1-benzothiophen-3-yl}oxy)phenyl]prop-2-enoic acid; (E)-3-(4-((2-(2-(1,1-difluoroethyl)-4-fluorophenyl)-6-hydroxybenzo [b]thiophen-3-yl)oxy)phenyl)acrylic acid; (E)-3-[4-[[2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]prop-2-enoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	814025	.	.	.	.	470.5	C25H17F3O4S	95	712	6.6	33	2	8	6	"InChI=1S/C25H17F3O4S/c1-25(27,28)20-12-15(26)5-9-18(20)24-23(19-10-6-16(29)13-21(19)33-24)32-17-7-2-14(3-8-17)4-11-22(30)31/h2-13,29H,1H3,(H,30,31)/b11-4+"	CC(C1=C(C=CC(=C1)F)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)/C=C/C(=O)O)(F)F	SJXNPGGVGZXKKI-NYYWCZLTSA-N
DG68355	Mobocertinib	118607832	"Mobocertinib; 1847461-43-1; TAK-788; TAK788; AP32788; UNII-39HBQ4A67L; AP-32788; 39HBQ4A67L; propan-2-yl 2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate; Isopropyl 2-((5-acrylamido-4-((2-(dimethylamino)ethyl)(methyl)amino)-2-methoxyphenyl)amino)-4-(1-methyl-1H-indol-3-yl)pyrimidine-5-carboxylate; 1-Methylethyl 2-[[4-[[2-(dimethylamino)ethyl]methylamino]-2-methoxy-5-[(1-oxo-2-propen-1-yl)amino]phenyl]amino]-4-(1-methyl-1H-indol-3-yl)-5-pyrimidinecarboxylate; Exkivity; Mobocertinib [INN]; Mobocertinib [USAN]; Mobocertinib (TAK788); Mobocertinib(TAK-788); CHEMBL4650319; SCHEMBL17373133; GTPL10468; BDBM368374; BCP31045; EX-A3392; US10227342, Example 10; XYC46143; MFCD32669806; NSC825519; s6813; TAK-788;AP32788; WHO 11183; AT30193; NSC-825519; example 94 [WO2015195228A1]; HY-135815; CS-0114256; D81621; A934607; TAK-788;TAK 788; TAK788; AP32788; AP-32788; AP 32788; 5-Pyrimidinecarboxylic acid, 2-((4-((2-(dimethylamino)ethyl)methylamino)-2-methoxy-5-((1-oxo-2-propen-1-yl)amino)phenyl)amino)-4-(1-methyl-1H-indol-3-yl)-, 1-methylethyl ester; Isopropyl 2-(5-acrylamido-4-((2-(dimethylamino)ethyl)(methyl)amino)-2-methoxyphenylamino)-4-(1-methyl-1H-indol-3-yl)pyrimidine-5-carboxylate; Propan-2-yl 2-(5-(acryloylamino)-4-((2-(dimethylamino)ethyl)(methyl)amino)-2-methoxyanilino)-4-(1-methyl-1H-indol-3-yl)pyrimidine-5-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	825519	.	.	.	.	585.7	C32H39N7O4	114	935	4.4	43	2	9	13	"InChI=1S/C32H39N7O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26/h9-13,16-20H,1,14-15H2,2-8H3,(H,34,40)(H,33,35,36)"	CC(C)OC(=O)C1=CN=C(N=C1C2=CN(C3=CC=CC=C32)C)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	AZSRSNUQCUDCGG-UHFFFAOYSA-N
DG68356	"2-[4-[5-(3,4,5-Trimethoxyphenyl)-1,2,4-oxadiazole-3-yl]phenyl]-5-methoxy-1H-benzoimidazole"	118624714	"SCHEMBL17393725; NSC761814; NSC-761814; 2-[4-[5-(3,4,5-Trimethoxyphenyl)-1,2,4-oxadiazole-3-yl]phenyl]-5-methoxy-1H-benzoimidazole; 3-(4-(5-Methoxy-1H-benzo[d]imidazol-2-yl)phenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761814	.	.	.	.	458.5	C25H22N4O5	105	637	4.6	34	1	8	7	"InChI=1S/C25H22N4O5/c1-30-17-9-10-18-19(13-17)27-23(26-18)14-5-7-15(8-6-14)24-28-25(34-29-24)16-11-20(31-2)22(33-4)21(12-16)32-3/h5-13H,1-4H3,(H,26,27)"	COC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)C4=NOC(=N4)C5=CC(=C(C(=C5)OC)OC)OC	QDJALYKFFBNQSC-UHFFFAOYSA-N
DG68357	Unii-O6ZT4D087I	118627280	"IPN60090; CHEMBL4741924; UNII-O6ZT4D087I; O6ZT4D087I; SCHEMBL17396805; BDBM50548670; IPN-60090; NSC830912; NSC-830912; HY-103671; CS-0030361; 1-[(2R)-4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methylpyridin-2-yl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide; 1853164-83-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	830912	.	.	.	.	532.5	C24H27F3N8O3	137	804	1.6	38	2	11	11	"InChI=1S/C24H27F3N8O3/c1-14-7-18(38-19-10-24(26,27)11-19)8-17(29-14)9-22(36)30-21-6-5-16(31-33-21)4-3-15(25)12-35-13-20(32-34-35)23(37)28-2/h5-8,13,15,19H,3-4,9-12H2,1-2H3,(H,28,37)(H,30,33,36)/t15-/m1/s1"	CC1=CC(=CC(=N1)CC(=O)NC2=NN=C(C=C2)CC[C@H](CN3C=C(N=N3)C(=O)NC)F)OC4CC(C4)(F)F	GEHZIZWHNLQFAS-OAHLLOKOSA-N
DG68358	Subasumstat	118628567	"TAK-981; Subasumstat; 1858276-04-6; UNII-XQ43H3V6M1; XQ43H3V6M1; [(1R,2S,4R)-4-[[5-[[4-((1R)-7-Chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)-5-methylthien-2-yl]carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate; 1858276-04-6 (free); ((1R,2S,4R)-4-((5-(4-((R)-7-Chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)-5-methylthiophene-2-carbonyl)pyrimidin-4-yl)amino)-2-hydroxycyclopentyl)methyl sulfamate; [(1R,2S,4R)-4-[(5-[4-[(1R)-7-Chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl)amino]-2-hydroxycyclopentyl]methyl sulfamate; [(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate; ((1R,2S,4R)-4-((5-((4-((1R)-7-Chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)-5-methylthien-2-yl)carbonyl)pyrimidin-4-yl)amino)-2-hydroxycyclopentyl)methyl sulfamate; TAK981 oxalate; Subasumstat [USAN]; TAK-981 oxalate; subasumstat (proposed INN); TAK981; Sumoylation inhibitor TAK-981; SCHEMBL17398333; GTPL11305; BDBM462958; TAK 981; TAK981; BCP30806; EX-A3291; MFCD32062692; NSC820784; WHO 11858; NSC-820784; US10780090, Compound I-263a; US10780090, Compound I-263b; Example 133 [WO2016004136A1]; HY-111789; CS-0091878; D81004; A935089; I-263a [WO2016004136A1]; [(1R,2S,4R)-4-[[5-[4-[(1R)-7-Chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methyl-thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxy-cyclopentyl]methyl sulfamate; [(1R,2S,4R)-4-{[5-({4-[(1R)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methyl-2- thienyl}carbonyl)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl sulfamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	820784	.	.	.	.	578.1	C25H28ClN5O5S2	193	942	3.5	38	4	11	8	"InChI=1S/C25H28ClN5O5S2/c1-13-18(23-19-7-16(26)3-2-14(19)4-5-29-23)9-22(37-13)24(33)20-10-28-12-30-25(20)31-17-6-15(21(32)8-17)11-36-38(27,34)35/h2-3,7,9-10,12,15,17,21,23,29,32H,4-6,8,11H2,1H3,(H2,27,34,35)(H,28,30,31)/t15-,17-,21+,23+/m1/s1"	CC1=C(C=C(S1)C(=O)C2=CN=CN=C2N[C@@H]3C[C@@H]([C@H](C3)O)COS(=O)(=O)N)[C@H]4C5=C(CCN4)C=CC(=C5)Cl	LXRZVMYMQHNYJB-UNXOBOICSA-N
DG68359	"2-(4-chlorophenyl)-N-((2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)methyl)-2,2-difluoroacetamide"	118647211	"CC-90009; 1860875-51-9; Eragidomide; Cereblon modulator 1; 2-(4-chlorophenyl)-N-((2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)methyl)-2,2-difluoroacetamide; 2-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoroacetamide; CHEMBL4742712; Eragidomide [INN]; SCHEMBL17420717; GTPL11424; BCP33889; EX-A4705; BDBM50557457; NSC828250; s9832; AT18065; CC90009; NSC-828250; Compound 1 [WO2019006299A1]; compound 16 [PMID: 33591756]; HY-130800; CS-0114090; CC90009; CC 90009; Cereblon modulator 1; A937595; 2-(4-Chlorophenyl)-N-((2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl)methyl)-2,2-difluoroacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	828250	.	.	.	.	461.8	C22H18ClF2N3O4	95.6	787	2.3	32	2	6	5	"InChI=1S/C22H18ClF2N3O4/c23-15-4-2-14(3-5-15)22(24,25)21(32)26-10-12-1-6-16-13(9-12)11-28(20(16)31)17-7-8-18(29)27-19(17)30/h1-6,9,17H,7-8,10-11H2,(H,26,32)(H,27,29,30)"	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)CNC(=O)C(C4=CC=C(C=C4)Cl)(F)F	PWBHUSLMHZLGRN-UHFFFAOYSA-N
DG68360	"(3~{r})-4-[2-[4-[1-(3-Methoxy-[1,2,4]triazolo[4,3-B]pyridazin-6-Yl)piperidin-4-Yl]phenoxy]ethyl]-1,3-Dimethyl-Piperazin-2-One"	118693659	"AZD-5153; AZD5153; 1869912-39-9; UNII-C7C7U6YEAO; C7C7U6YEAO; CHEMBL4078100; AZD 5153; 1869912-39-9 (free base); (R)-4-(2-(4-(1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl)phenoxy)ethyl)-1,3-dimethylpiperazin-2-one; (3~{r})-4-[2-[4-[1-(3-Methoxy-[1,2,4]triazolo[4,3-B]pyridazin-6-Yl)piperidin-4-Yl]phenoxy]ethyl]-1,3-Dimethyl-Piperazin-2-One; AZD-5153 6-hydroxy-2-naphthoic acid; SCHEMBL17477306; AZD 5153 [WHO-DD]; AMY16812; BCP20057; EX-A1317; AZD5153, 6-hydroxy-2-naphthoate; BDBM50260093; MFCD30530420; NSC797938; AKOS030627661; AZD-5153, 6-hydroxy-2-naphthoate; ZINC575441177; NSC-797938; AC-31599; AS-35242; J3.544.368A; Q27467599; (3r)-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one; (3R)-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one; 2-Piperazinone, 4-(2-(4-(1-(3-methoxy-1,2,4-triazolo(4,3-b)pyridazin-6-yl)-4-piperidinyl)phenoxy)ethyl)-1,3-dimethyl-, (3R)-; XNH"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797938	.	.	.	.	479.6	C25H33N7O3	88.3	699	2.4	35	0	8	7	"InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1"	C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C	RSMYFSPOTCDHHJ-GOSISDBHSA-N
DG68361	CID 118704759	118704759	PF-2771; 2070009-55-9; EX-A1616; NSC791648; PF2771; ZINC306147529; CS-5372; NSC-791648; HY-19530; N-[(2S)-1-[4-(2-Acetyl-1-methylimidazol-4-yl)phenyl]-3-[[2-(dimethylamino)acetyl]amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791648	.	.	.	.	554.1	C29H36ClN5O4	106	820	3.8	39	2	6	12	"InChI=1S/C29H36ClN5O4/c1-18(2)39-26-12-11-22(14-24(26)30)29(38)32-23(15-31-27(37)17-34(4)5)13-20-7-9-21(10-8-20)25-16-35(6)28(33-25)19(3)36/h7-12,14,16,18,23H,13,15,17H2,1-6H3,(H,31,37)(H,32,38)/t23-/m0/s1"	CC(C)OC1=C(C=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)C3=CN(C(=N3)C(=O)C)C)CNC(=O)CN(C)C)Cl	VHBJNUOZEQTSNN-QHCPKHFHSA-N
DG68362	"3,8,9-Trimethoxyisoindolo[2,1-a]quinoxalin-6-amine"	118734071	CHEMBL3416408; NSC760286; NSC-760286	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760286	.	.	.	.	323.3	C18H17N3O3	71	451	3.7	24	1	5	3	"InChI=1S/C18H17N3O3/c1-22-11-4-5-14-13(7-11)20-18(19)17-12-8-16(24-3)15(23-2)6-10(12)9-21(14)17/h4-9H,1-3H3,(H2,19,20)"	COC1=CC2=C(C=C1)N3C=C4C=C(C(=CC4=C3C(=N2)N)OC)OC	BOLIQLNPFPACMJ-UHFFFAOYSA-N
DG68363	"6-Amino-8,9-dimethoxyisoindolo[2,1-a]quinoxalin-3-ol"	118734075	CHEMBL3416413; NSC760289; NSC-760289	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760289	.	.	.	.	309.32	C17H15N3O3	82	437	3.3	23	2	5	2	"InChI=1S/C17H15N3O3/c1-22-14-5-9-8-20-13-4-3-10(21)6-12(13)19-17(18)16(20)11(9)7-15(14)23-2/h3-8,21H,1-2H3,(H2,18,19)"	COC1=CC2=CN3C4=C(C=C(C=C4)O)N=C(C3=C2C=C1OC)N	HBWFREGIYNIAPX-UHFFFAOYSA-N
DG68364	Elimusertib	118869362	"1876467-74-1; BAY-1895344; elimusertib; BAY 1895344; BAY-1895344 HCl; UNII-7N13IK9LNH; BAY1895344; 7N13IK9LNH; (R)-3-methyl-4-(4-(1-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-3-yl)-1,7-naphthyridin-2-yl)morpholine; (3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine; (R)-3-methyl-4-(4-(1-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl)morpholine; CHEMBL4647810; SCHEMBL17501318; SCHEMBL21756640; GTPL10354; Elimusertib (BAY-1895344); EX-A1662; NSC800525; NSC817275; s9864; ACN-051236; NSC-800525; NSC-817275; AC-30337; BB178556; BS-15734; HY-101566; CS-0021722; A903444"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800525	.	.	.	.	375.4	C20H21N7O	84.8	537	1.6	28	1	6	3	"InChI=1S/C20H21N7O/c1-13-12-28-10-9-27(13)18-11-15(17-5-8-23-26(17)2)14-3-6-21-20(19(14)24-18)16-4-7-22-25-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,25)/t13-/m1/s1"	C[C@@H]1COCCN1C2=NC3=C(C=CN=C3C4=CC=NN4)C(=C2)C5=CC=NN5C	YBXRSCXGRPSTMW-CYBMUJFWSA-N
DG68365	Darovasertib	118873253	"LXS196; LXS-196; 1874276-76-2; darovasertib; NVP-LXS196; NVP-LXS-196; IDE196; IDE-196; UNII-E0YF0M8O09; E0YF0M8O09; 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide; 3-amino-N-(3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl)-6-(3-(trifluoromethyl)pyridin-2-yl)pyrazine-2-carboxamide; Darovasertib [USAN]; CHEMBL3982723; SCHEMBL17506262; GTPL11186; BDBM251460; BCP20781; EX-A2690; ZZC27676; NSC800030; s6723; ZB1591; ZINC584641445; CS-7529; NSC-800030; Example 9 [WO2016020864A1]; WS-01966; HY-101569; D85524; US9452998, 9; Q29213686; 2-Pyrazinecarboxamide, 3-amino-N-(3-(4-amino-4-methyl-1-piperidinyl)-2-pyridinyl)-6-(3-(trifluoromethyl)-2-pyridinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800030	.	.	.	.	472.5	C22H23F3N8O	136	702	1.9	34	3	11	4	"InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34)"	CC1(CCN(CC1)C2=C(N=CC=C2)NC(=O)C3=NC(=CN=C3N)C4=C(C=CC=N4)C(F)(F)F)N	XXJXHXJWQSCNPX-UHFFFAOYSA-N
DG68366	"US10266549, Example 14"	118905689	"SCHEMBL17544689; BDBM379115; US10266549, Example 14; NSC803593; NSC-803593; 2-(5-Bromo-2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-yl amino)-N-methylbenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803593	.	.	.	.	488.3	C21H22BrN5O4	107	560	4.4	31	3	8	8	"InChI=1S/C21H22BrN5O4/c1-23-20(28)13-7-5-6-8-15(13)26-19-14(22)11-24-21(27-19)25-12-9-16(29-2)18(31-4)17(10-12)30-3/h5-11H,1-4H3,(H,23,28)(H2,24,25,26,27)"	CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Br)NC3=CC(=C(C(=C3)OC)OC)OC	VPALTONRQJGXKI-UHFFFAOYSA-N
DG68367	Tapotoclax	118910268	"AMG-176; Tapotoclax; AMG176; 1883727-34-1; AMG 176; MCL-1 inhibitor AMG 176; MCL-1 inhibitor AMG-176; UNII-97W7N9T08G; CHEMBL4446378; 97W7N9T08G; (3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13lambda6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one; Tapotoclax [USAN]; SCHEMBL17550216; BCP25146; EX-A2666; AMG 176; AMG-176; BDBM50514200; NSC804041; WHO 11092; NSC-804041; HY-101565; CS-0021721"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804041	.	.	.	.	613.2	C33H41ClN2O5S	93.3	1110	6.8	42	1	6	1	"InChI=1S/C33H41ClN2O5S/c1-21-6-4-8-30(40-3)27-12-9-25(27)18-36-19-33(15-5-7-23-16-26(34)11-13-28(23)33)20-41-31-14-10-24(17-29(31)36)32(37)35-42(38,39)22(21)2/h4,8,10-11,13-14,16-17,21-22,25,27,30H,5-7,9,12,15,18-20H2,1-3H3,(H,35,37)/b8-4+/t21-,22+,25-,27+,30-,33-/m0/s1"	C[C@H]1C/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCC5=C4C=CC(=C5)Cl)COC6=C3C=C(C=C6)C(=O)NS(=O)(=O)[C@@H]1C)OC	JQNINBDKGLWYMU-GEAQBIRJSA-N
DG68368	Olutasidenib	118955396	"Olutasidenib; 1887014-12-1; FT-2102; UNII-0T4IMT8S5Z; Olutasidenib (FT-2102); 0T4IMT8S5Z; 5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile; FT2102; (S)-5-((1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile; 5-{[(1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile; 5-(((1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile; 5-[[(1S)-1-(6-Chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino]-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile; Olutasidenib [USAN]; CHEMBL4297610; SCHEMBL17603134; GTPL10319; AMY16919; EX-A4523; BDBM50506474; example 26 [US9834539B2]; NSC818621; s8949; FT-2102FT-2102; NSC-818621; HY-114226; CS-0080183; D87221; 2-Pyridinecarbonitrile, 5-(((1S)-1-(6-chloro-1,2-dihydro-2-oxo-3-quinolinyl)ethyl)amino)-1,6-dihydro-1-methyl-6-oxo-; 5-((1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile; PWV"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	818621	.	.	.	.	354.8	C18H15ClN4O2	85.2	745	2.5	25	2	4	3	"InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1"	C[C@@H](C1=CC2=C(C=CC(=C2)Cl)NC1=O)NC3=CC=C(N(C3=O)C)C#N	NEQYWYXGTJDAKR-JTQLQIEISA-N
DG68369	CID 118958833	118958833	"BAY-1816032; 1891087-61-8; 2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol; BAY 1816032; SCHEMBL17606911; BCP29513; EX-A2675; NSC803409; s8945; BAY1816032; NSC-803409; BB166427; HY-103020; CS-0023128; BAY1816032;BAY 1816032; 2-[3,5-Difluoro-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol; CVQ"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803409	.	.	.	.	534.5	C27H24F2N6O4	116	749	3.4	39	2	11	10	"InChI=1S/C27H24F2N6O4/c1-37-23-13-30-8-7-21(23)32-26-24(38-2)14-31-27(33-26)25-17-5-3-4-6-22(17)35(34-25)15-18-19(28)11-16(12-20(18)29)39-10-9-36/h3-8,11-14,36H,9-10,15H2,1-2H3,(H,30,31,32,33)"	COC1=CN=C(N=C1NC2=C(C=NC=C2)OC)C3=NN(C4=CC=CC=C43)CC5=C(C=C(C=C5F)OCCO)F	QVOGVAVHOLLLAZ-UHFFFAOYSA-N
DG68370	"5-Hydroxy-2-(2-hydroxy-4-methoxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one"	121225977	SCHEMBL19736056; NSC785305; NSC-785305	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785305	.	.	.	.	376.4	C19H20O8	104	514	2.6	27	2	8	5	"InChI=1S/C19H20O8/c1-23-9-5-6-10(11(20)7-9)13-8-12(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-13/h5-7,13,20,22H,8H2,1-4H3"	COC1=CC(=C(C=C1)C2CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O	HBMSDJPRMIJWFE-UHFFFAOYSA-N
DG68371	(3-Methylquinoxalin-2-yl)-phenyldiazene	121230984	NSC 601980; HY-B1714A; NSC792789; ZINC521836462; CS-5646; NSC-792789	.	.	Investigative Drug(s)	Investigative	Small molecular drug	792789	.	.	.	.	248.28	C15H12N4	50.5	311	3.7	19	0	4	2	"InChI=1S/C15H12N4/c1-11-15(19-18-12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-11/h2-10H,1H3"	CC1=NC2=CC=CC=C2N=C1N=NC3=CC=CC=C3	HUXPPDSCOMVLMY-UHFFFAOYSA-N
DG68372	"4,7-Dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one"	121268274	"TK216; 1903783-48-1; 4,7-Dichloro-3-(2-(4-cyclopropylphenyl)-2-oxoethyl)-3-hydroxyindolin-2-one; 4,7-Dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one; 1903783-78-7; SCHEMBL17669249; NSC831147; s9718; TK-216; NSC-831147; (-)-TK216; HY-122903; CS-0090240; 4,7-dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	831147	.	.	.	.	376.2	C19H15Cl2NO3	66.4	559	4.1	25	2	3	4	"InChI=1S/C19H15Cl2NO3/c20-13-7-8-14(21)17-16(13)19(25,18(24)22-17)9-15(23)12-5-3-11(4-6-12)10-1-2-10/h3-8,10,25H,1-2,9H2,(H,22,24)"	C1CC1C2=CC=C(C=C2)C(=O)CC3(C4=C(C=CC(=C4NC3=O)Cl)Cl)O	ZWHNLSHDLKIXOG-UHFFFAOYSA-N
DG68373	NSC782896	121276198	"5-Amino-24-methyl-13-(methylaminomethyl)-25,25-dioxo-15,18,21-trioxa-25lambda6-thia-4,8,24,31-tetrazatetracyclo[24.2.2.12,6.09,14]hentriaconta-1(29),2,4,6(31),9,11,13,26(30),27-nonaen-7-one; SCHEMBL17678438; NSC782896; NSC-782896"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782896	.	.	.	.	556.6	C26H32N6O6S	166	868	0.2	39	3	11	2	"InChI=1S/C26H32N6O6S/c1-28-16-19-4-3-5-21-24(19)38-15-14-37-13-12-36-11-10-32(2)39(34,35)20-8-6-18(7-9-20)22-17-29-25(27)23(30-22)26(33)31-21/h3-9,17,28H,10-16H2,1-2H3,(H2,27,29)(H,31,33)"	CNCC1=C2C(=CC=C1)NC(=O)C3=NC(=CN=C3N)C4=CC=C(C=C4)S(=O)(=O)N(CCOCCOCCO2)C	UEOXMKFLURTGRW-UHFFFAOYSA-N
DG68374	"N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3,4-dimethoxybenzenesulfonamide"	121304378	SCHEMBL17712682; NSC780186; NSC-780186	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780186	.	.	.	.	545.6	C27H31NO9S	119	821	4.5	38	1	10	12	"InChI=1S/C27H31NO9S/c1-31-21-11-10-19(16-22(21)32-2)38(29,30)28-20-12-17(13-23(33-3)26(20)36-6)8-9-18-14-24(34-4)27(37-7)25(15-18)35-5/h8-16,28H,1-7H3/b9-8-"	COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C(=CC(=C2)/C=C\\C3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC	DRSCWRFBPYSRKG-HJWRWDBZSA-N
DG68375	"N-[2-hydroxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide"	121304383	SCHEMBL17712687; NSC775014; NSC-775014	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775014	.	.	.	.	501.5	C25H27NO8S	121	750	4.2	35	2	9	10	"InChI=1S/C25H27NO8S/c1-30-18-9-11-19(12-10-18)35(28,29)26-23-17(8-13-20(31-2)24(23)27)7-6-16-14-21(32-3)25(34-5)22(15-16)33-4/h6-15,26-27H,1-5H3/b7-6-"	COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2O)OC)/C=C\\C3=CC(=C(C(=C3)OC)OC)OC	LJJUNMWDURTMQG-SREVYHEPSA-N
DG68376	"N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide"	121304384	SCHEMBL17712688; NSC775010; NSC-775010	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775010	.	.	.	.	515.6	C26H29NO8S	110	765	4.5	36	1	9	11	"InChI=1S/C26H29NO8S/c1-30-19-9-11-20(12-10-19)36(28,29)27-21-13-17(14-22(31-2)25(21)34-5)7-8-18-15-23(32-3)26(35-6)24(16-18)33-4/h7-16,27H,1-6H3/b8-7-"	COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=CC(=C2)/C=C\\C3=CC(=C(C(=C3)OC)OC)OC)OC)OC	SPTMNTPNCDTSAW-FPLPWBNLSA-N
DG68377	"4-methoxy-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide"	121304389	SCHEMBL17712694; NSC774998; NSC-774998	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774998	.	.	.	.	485.6	C25H27NO7S	101	718	4.6	34	1	8	10	"InChI=1S/C25H27NO7S/c1-29-19-9-11-20(12-10-19)34(27,28)26-21-14-17(8-13-22(21)30-2)6-7-18-15-23(31-3)25(33-5)24(16-18)32-4/h6-16,26H,1-5H3/b7-6-"	COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)/C=C\\C3=CC(=C(C(=C3)OC)OC)OC)OC	ULDCRGDESYCVLB-SREVYHEPSA-N
DG68378	"4-tert-butyl-N-[2-hydroxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide"	121304395	SCHEMBL17712701; NSC780176; NSC-780176	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780176	.	.	.	.	527.6	C28H33NO7S	112	814	5.9	37	2	8	10	"InChI=1S/C28H33NO7S/c1-28(2,3)20-11-13-21(14-12-20)37(31,32)29-25-19(10-15-22(33-4)26(25)30)9-8-18-16-23(34-5)27(36-7)24(17-18)35-6/h8-17,29-30H,1-7H3/b9-8-"	CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2O)OC)/C=C\\C3=CC(=C(C(=C3)OC)OC)OC	WRCKQEFAYMHENK-HJWRWDBZSA-N
DG68379	"4-chloro-N-[2-hydroxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide"	121315022	SCHEMBL17724877; NSC775015; NSC-775015	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775015	.	.	.	.	506	C24H24ClNO7S	112	739	4.9	34	2	8	9	"InChI=1S/C24H24ClNO7S/c1-30-19-12-7-16(6-5-15-13-20(31-2)24(33-4)21(14-15)32-3)22(23(19)27)26-34(28,29)18-10-8-17(25)9-11-18/h5-14,26-27H,1-4H3/b6-5-"	COC1=C(C(=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC)NS(=O)(=O)C3=CC=C(C=C3)Cl)O	XGFNIUPKCBCKSP-WAYWQWQTSA-N
DG68380	NSC816863	121333423	"(2R,4R)-1-(3-Chloro-2-fluorobenzyl)-4-((3-fluoro-6-((5-methyl-1H-pyrazol-3-yl)amino)pyridin-2-yl)methyl)-2-methylpiperidine-4-carboxylic acid; LY3295668; 1919888-06-4; AK-01; UNII-1WX8O5XV4R; 1WX8O5XV4R; LY-3295668; (2R,4R)-1-(3-Chloro-2-fluorobenzyl)-4-((3-fluoro-6-((5-methyl-1H-pyrazol-3-yl)amino)pyridin-2-yl)methyl)-2-methylpiperidine-4-carboxylic acid; (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid; (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl]methyl]-2-methylpiperidine-4-carboxylic acid; SCHEMBL17747406; NSC816863; NSC-816863; Aurora A kinase inhibitor LY3295668; CYH-268,LY3295668; HY-114258; CS-0080775; LY3295668 (AK-01); A16869; (2R,4R)-1-[(3-Chloro-2-fluoro-phenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridyl]methyl]-2-methyl-piperidine-4-carboxylic acid; 1-((3-Chloro-2-fluorophenyl)methyl)-4-((3-fluoro-6-((5-methyl-1H-pyrazol-3-yl)amino)-2-pyridinyl)methyl)-2-methyl-, (2R,4R)-,4-piperidinecarboxylic acid; 4-Piperidinecarboxylic acid, 1-((3-chloro-2-fluorophenyl)methyl)-4-((3-fluoro-6-((5-methyl-1H-pyrazol-3-yl)amino)-2-pyridinyl)methyl)-2-methyl-, (2R,4R)-; EG7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	816863	.	.	.	.	489.9	C24H26ClF2N5O2	94.1	708	2.4	34	3	8	7	"InChI=1S/C24H26ClF2N5O2/c1-14-10-21(31-30-14)29-20-7-6-18(26)19(28-20)12-24(23(33)34)8-9-32(15(2)11-24)13-16-4-3-5-17(25)22(16)27/h3-7,10,15H,8-9,11-13H2,1-2H3,(H,33,34)(H2,28,29,30,31)/t15-,24-/m1/s1"	C[C@@H]1C[C@](CCN1CC2=C(C(=CC=C2)Cl)F)(CC3=C(C=CC(=N3)NC4=NNC(=C4)C)F)C(=O)O	YQQZZYYQTCPEAS-OYLFLEFRSA-N
DG68381	"4-(difluoromethyl)-5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-2-amine"	121334433	"PQR530; 1927857-61-1; PQR 530; CHEMBL4453693; PQR-530; 4-(difluoromethyl)-5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-2-amine; 4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine; SCHEMBL17748679; (S)-4-(difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine; AMY16805; EX-A2825; BDBM50515201; NSC802821; NSC-802821; AC-30340; CID 121334433; HY-107365; CS-0028216; M1J"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	802821	.	.	.	.	407.4	C18H23F2N7O2	103	528	1.4	29	1	11	4	"InChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)18-24-16(13-9-22-14(21)8-12(13)15(19)20)23-17(25-18)26-2-5-28-6-3-26/h8-9,11,15H,2-7,10H2,1H3,(H2,21,22)/t11-/m0/s1"	C[C@H]1COCCN1C2=NC(=NC(=N2)N3CCOCC3)C4=CN=C(C=C4C(F)F)N	SYKBZXMKAPICSO-NSHDSACASA-N
DG68382	mTOR inhibitor-7	121334440	PQR626; CHEMBL4749352; mTOR inhibitor-7; SCHEMBL17748686; PQR-626; BDBM50559193; NSC828318; NSC-828318; HY-136660; CS-0132933	.	.	Investigative Drug(s)	Investigative	Small molecular drug	828318	.	.	.	.	435.5	C20H27F2N7O2	103	582	2.3	31	1	11	4	"InChI=1S/C20H27F2N7O2/c1-11-8-30-5-4-28(11)19-25-18(15-7-24-16(23)6-14(15)17(21)22)26-20(27-19)29-12(2)9-31-10-13(29)3/h6-7,11-13,17H,4-5,8-10H2,1-3H3,(H2,23,24)/t11-,12-,13+/m1/s1"	C[C@@H]1COCCN1C2=NC(=NC(=N2)C3=CN=C(C=C3C(F)F)N)N4[C@@H](COC[C@@H]4C)C	YXQKBQLVKBUCLZ-UPJWGTAASA-N
DG68383	"5-chloro-2-hydroxy-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide"	121352660	"SCHEMBL17770389; NSC791172; NSC-791172; 5-chloro-2-hydroxy-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791172	.	.	.	.	372.7	C15H8ClF3N2O2S	90.5	482	5.3	24	2	7	2	"InChI=1S/C15H8ClF3N2O2S/c16-8-2-4-11(22)9(6-8)13(23)21-14-20-10-3-1-7(15(17,18)19)5-12(10)24-14/h1-6,22H,(H,20,21,23)"	C1=CC2=C(C=C1C(F)(F)F)SC(=N2)NC(=O)C3=C(C=CC(=C3)Cl)O	XAKYXCGMIMAZNW-UHFFFAOYSA-N
DG68384	"bis[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl] pentanedioate"	121390679	SCHEMBL17815563; NSC793309; NSC-793309	.	.	Investigative Drug(s)	Investigative	Small molecular drug	793309	.	.	.	.	624.7	C35H44O10	130	1240	3.3	45	0	10	10	"InChI=1S/C35H44O10/c1-20-24-14-12-22(8-6-16-34(3)30(44-34)28(24)42-32(20)38)18-40-26(36)10-5-11-27(37)41-19-23-9-7-17-35(4)31(45-35)29-25(15-13-23)21(2)33(39)43-29/h8-9,24-25,28-31H,1-2,5-7,10-19H2,3-4H3/b22-8+,23-9+/t24-,25-,28-,29-,30-,31-,34+,35+/m0/s1"	C[C@]12O[C@H]1[C@H]3OC(=O)C(=C)[C@@H]3CC/C(=C\\CC2)/COC(=O)CCCC(=O)OC/C/4=C/CC[C@]5(O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4)C	YFRGZGAVCBRCAL-LXBVKJRYSA-N
DG68385	NSC787867	121390727	"5-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methoxycarbonyloxy]pentyl [(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl carbonate; CHEMBL3634470; SCHEMBL17815621; NSC787867; NSC-787867"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787867	.	.	.	.	684.8	C37H48O12	149	1310	5	49	0	12	14	"InChI=1S/C37H48O12/c1-22-26-14-12-24(10-8-16-36(3)30(48-36)28(26)46-32(22)38)20-44-34(40)42-18-6-5-7-19-43-35(41)45-21-25-11-9-17-37(4)31(49-37)29-27(15-13-25)23(2)33(39)47-29/h10-11,26-31H,1-2,5-9,12-21H2,3-4H3/b24-10+,25-11+/t26-,27-,28-,29-,30-,31-,36+,37+/m0/s1"	C[C@]12O[C@H]1[C@H]3OC(=O)C(=C)[C@@H]3CC/C(=C\\CC2)/COC(=O)OCCCCCOC(=O)OC/C/4=C/CC[C@]5(O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4)C	BVPUTZCUALPGIM-YQZUZBKMSA-N
DG68386	NSC780932	121390743	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[8-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methoxycarbonylamino]octyl]carbamate; CHEMBL3634466; SCHEMBL17815637; NSC780932; NSC-780932"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780932	.	.	.	.	724.9	C40H56N2O10	154	1360	5.3	52	2	10	15	"InChI=1S/C40H56N2O10/c1-25-29-17-15-27(13-11-19-39(3)33(51-39)31(29)49-35(25)43)23-47-37(45)41-21-9-7-5-6-8-10-22-42-38(46)48-24-28-14-12-20-40(4)34(52-40)32-30(18-16-28)26(2)36(44)50-32/h13-14,29-34H,1-2,5-12,15-24H2,3-4H3,(H,41,45)(H,42,46)/b27-13+,28-14+/t29-,30-,31-,32-,33-,34-,39+,40+/m0/s1"	C[C@]12O[C@H]1[C@H]3OC(=O)C(=C)[C@@H]3CC/C(=C\\CC2)/COC(=O)NCCCCCCCCNC(=O)OC/C/4=C/CC[C@]5(O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4)C	PBCYNJBBMUYAIG-JNMFGIBUSA-N
DG68387	NSC780931	121390856	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[4-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methoxycarbonylamino]butyl]carbamate; CHEMBL3634462; SCHEMBL17815759; NSC780931; NSC-780931"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780931	.	.	.	.	668.8	C36H48N2O10	154	1300	3.5	48	2	10	11	"InChI=1S/C36H48N2O10/c1-21-25-13-11-23(9-7-15-35(3)29(47-35)27(25)45-31(21)39)19-43-33(41)37-17-5-6-18-38-34(42)44-20-24-10-8-16-36(4)30(48-36)28-26(14-12-24)22(2)32(40)46-28/h9-10,25-30H,1-2,5-8,11-20H2,3-4H3,(H,37,41)(H,38,42)/b23-9+,24-10+/t25-,26-,27-,28-,29-,30-,35+,36+/m0/s1"	C[C@]12O[C@H]1[C@H]3OC(=O)C(=C)[C@@H]3CC/C(=C\\CC2)/COC(=O)NCCCCNC(=O)OC/C/4=C/CC[C@]5(O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4)C	LYTQQLYWFOFSTN-IPZJNBEYSA-N
DG68388	Temuterkib	121408882	"LY3214996; 1951483-29-6; Temuterkib; LY-3214996; 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one; UNII-V0Q46LFE6F; V0Q46LFE6F; Temuterkib [USAN]; GTPL9975; CHEMBL4650285; SCHEMBL17837273; BCP19982; EX-A2560; [14c]-ly3214996; NSC803410; s8534; WHO 11680; AKOS037515532; CCG-269274; CS-6974; NSC-803410; BL166457; BS-15775; HY-101494; LY 3214996; A16843; C73705; A902162; 11,46,46-Trimethyl-45,46-dihydro-11-H-2-aza-4(2,5)-thieno(2,3-c)pyrrola-3(2,4)-pyrimidina-7(4)-morpholina-1(5)-pyrazolaheptaphan-44-one; 4H-Thieno(2,3-c)pyrrol-4-one, 5,6-dihydro-6,6-dimethyl-2-(2-((1-methyl-1Hpyrazol-5-yl)amino)-4-pyrimidinyl)-5-(2-(4-morpholinyl)ethyl)-; 5,6-Dihydro-6,6-dimethyl-2-[2-[(1-methyl-1H-pyrazol-5-yl)amino]-4-pyrimidinyl]-5-[2-(4-morpholinyl)ethyl]-4H-thieno[2,3-c]pyrrol-4-one; 6,6-dimethyl-2-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)-5-(2-morpholinoethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-4-one; KE8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803410	.	.	.	.	453.6	C22H27N7O2S	117	677	1.4	32	1	8	6	"InChI=1S/C22H27N7O2S/c1-22(2)19-15(20(30)29(22)9-8-28-10-12-31-13-11-28)14-17(32-19)16-4-6-23-21(25-16)26-18-5-7-24-27(18)3/h4-7,14H,8-13H2,1-3H3,(H,23,25,26)"	CC1(C2=C(C=C(S2)C3=NC(=NC=C3)NC4=CC=NN4C)C(=O)N1CCN5CCOCC5)C	JNPRPMBJODOFEC-UHFFFAOYSA-N
DG68389	Giredestrant	121410806	"Giredestrant; 1953133-47-5; GDC-9545; UNII-28P3DU6DB3; 28P3DU6DB3; RO7197597; 3-[(1R,3R)-1-[2,6-difluoro-4-[[1-(3-fluoropropyl)azetidin-3-yl]amino]phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol; 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol; 3-((1R,3R)-1-(2,6-Difluoro-4-((1-(3-fluoropropyl)azetidin-3-yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido(3,4-b)indol-2-yl)-2,2-difluoropropan-1-ol; 3-((1R,3R)-1-(2,6-Difluoro-4-((1-(3-fluoropropyl)azetidin-3-yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol; Giredestrant [INN]; Giredestrant [USAN]; CHEMBL4650316; SCHEMBL17839430; GDC9545; EX-A3541; NSC827275; WHO 11226; AT22918; NSC-827275; HY-109176; CS-0116370; RO-7197597; 2H-Pyrido(3,4-b)indole-2-propanol, 1-(2,6-difluoro-4-((1-(3-fluoropropyl)-3-azetidinyl)amino)phenyl)-beta,beta-difluoro-1,3,4,9-tetrahydro-3-methyl-, (1R,3R)-; 3-[(1R,3R)-1-[2,6-difluoro-4-[[1-(3-fluoropropyl)azetidin-3-yl]amino]phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2,2-difluoro-propan-1-ol; ZNM"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	827275	.	.	.	.	522.6	C27H31F5N4O	54.5	746	4.8	37	3	9	9	"InChI=1S/C27H31F5N4O/c1-16-9-20-19-5-2-3-6-23(19)34-25(20)26(36(16)14-27(31,32)15-37)24-21(29)10-17(11-22(24)30)33-18-12-35(13-18)8-4-7-28/h2-3,5-6,10-11,16,18,26,33-34,37H,4,7-9,12-15H2,1H3/t16-,26-/m1/s1"	C[C@@H]1CC2=C([C@H](N1CC(CO)(F)F)C3=C(C=C(C=C3F)NC4CN(C4)CCCF)F)NC5=CC=CC=C25	GQCXHIKRWBIQMD-AKJBCIBTSA-N
DG68390	N-[2-chloro-5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]pyridin-3-yl]methanesulfonamide	121416213	"MTX-211; 1952236-05-3; MTX211; N-[2-chloro-5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]pyridin-3-yl]methanesulfonamide; SCHEMBL17845979; MTX 211; AMY16799; BCP25988; CDD23605; EX-A1821; MTX 211 ; MTX-211 ; NSC787583; NSC803248; s6541; AKOS037515564; CS-7929; NSC-787583; NSC-803248; AC-30347; HY-107364; N16958; MTX-211; MTX211; MTX 211,1952236-05-3; N-(2-chloro-5-(4-((3-chloro-4-fluorophenyl)amino)quinazolin-6-yl)pyridin-3-yl)methanesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803248	.	.	.	.	478.3	C20H14Cl2FN5O2S	105	714	4.6	31	2	8	5	"InChI=1S/C20H14Cl2FN5O2S/c1-31(29,30)28-18-7-12(9-24-19(18)22)11-2-5-17-14(6-11)20(26-10-25-17)27-13-3-4-16(23)15(21)8-13/h2-10,28H,1H3,(H,25,26,27)"	CS(=O)(=O)NC1=C(N=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)Cl	GUYKCXXNIKKSBC-UHFFFAOYSA-N
DG68391	MI-219 (Mdm-2)	121458548	"SCHEMBL17896489; MI-219 (MDM-2); NSC754360; NSC-754360; 1201143-87-4; dimethylpropyl)-5-fluoro-1,2-dihydro-2-oxo-, hydrochloride (1:1), (2'R,3S,4'R,5'R)-; Spiro[3H-indole-3,3'-pyrrolidine]-5'-carboxamide, 6-chloro-4'-(3-chlorophenyl)-N-[(3S)-3,4-dihydroxybutyl] -2'-(2,2-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754360	.	.	.	.	552.5	C27H32Cl2FN3O4	111	845	3.7	37	5	6	8	"InChI=1S/C27H32Cl2FN3O4/c1-26(2,3)12-21-27(17-10-19(30)18(29)11-20(17)32-25(27)37)22(14-5-4-6-15(28)9-14)23(33-21)24(36)31-8-7-16(35)13-34/h4-6,9-11,16,21-23,33-35H,7-8,12-13H2,1-3H3,(H,31,36)(H,32,37)/t16-,21+,22-,23 ,27-/m0/s1"	CC(C)(C)C[C@@H]1[C@]2([C@H](C(N1)C(=O)NCC[C@@H](CO)O)C3=CC(=CC=C3)Cl)C4=CC(=C(C=C4NC2=O)Cl)F	UNXQGBMZYKHQCO-MVCZWWRHSA-N
DG68392	"5-amino-6-[(3S)-3-amino-4-hydroxybutanoyl]-2,2-dimethyl-3H-chromen-4-one"	121492227	NSC783224; NSC-783224; UNII-FM54X8S89O component COSICWYFCAPPJB-QMMMGPOBSA-N	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783224	.	.	.	.	292.33	C15H20N2O4	116	424	-0.1	21	3	6	4	"InChI=1S/C15H20N2O4/c1-15(2)6-11(20)13-12(21-15)4-3-9(14(13)17)10(19)5-8(16)7-18/h3-4,8,18H,5-7,16-17H2,1-2H3/t8-/m0/s1"	CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)C[C@@H](CO)N)C	COSICWYFCAPPJB-QMMMGPOBSA-N
DG68393	"6-[(2S)-2,3-dihydroxypropyl]-3-methylsulfanylindeno[1,2-c]isoquinoline-5,11-dione"	122179157	CHEMBL3581871; NSC780897; NSC-780897	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780897	.	.	.	.	367.4	C20H17NO4S	103	633	1.6	26	2	5	4	"InChI=1S/C20H17NO4S/c1-26-12-6-7-13-16(8-12)20(25)21(9-11(23)10-22)18-14-4-2-3-5-15(14)19(24)17(13)18/h2-8,11,22-23H,9-10H2,1H3/t11-/m0/s1"	CSC1=CC2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)C[C@@H](CO)O	WIDCTOWQCDKMRN-NSHDSACASA-N
DG68394	"2-[3-(Dimethylamino)propyl]-3,4-(1,2-phenylenecarbonyl)-1,2-dihydro-2,7-naphthyridine-1-one"	122179163	"CHEMBL3581877; SCHEMBL19372728; BDBM50090918; NSC780891; NSC-780891; J3.605.557J; 2-[3-(Dimethylamino)propyl]-3,4-(1,2-phenylenecarbonyl)-1,2-dihydro-2,7-naphthyridine-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780891	.	.	.	.	333.4	C20H19N3O2	53.5	598	1.7	25	0	4	4	"InChI=1S/C20H19N3O2/c1-22(2)10-5-11-23-18-14-6-3-4-7-15(14)19(24)17(18)13-8-9-21-12-16(13)20(23)25/h3-4,6-9,12H,5,10-11H2,1-2H3"	CN(C)CCCN1C2=C(C3=C(C1=O)C=NC=C3)C(=O)C4=CC=CC=C42	DUBDZPXTUCXYHD-UHFFFAOYSA-N
DG68395	5-Chloro-2-[(2-phenoxyacetyl)amino]benzamide	122187997	CHEMBL3612200; NSC773277; NSC-773277	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773277	.	.	.	.	304.73	C15H13ClN2O3	81.4	372	2.9	21	2	3	5	"InChI=1S/C15H13ClN2O3/c16-10-6-7-13(12(8-10)15(17)20)18-14(19)9-21-11-4-2-1-3-5-11/h1-8H,9H2,(H2,17,20)(H,18,19)"	C1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)N	CIGKJXXJTLFELJ-UHFFFAOYSA-N
DG68396	5-Iodo-2-(2-phenoxyacetylamino)benzamide	122188000	CHEMBL3612203; NSC773278; NSC-773278; 5-Iodo-2-(2-phenoxyacetylamino)benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773278	.	.	.	.	396.18	C15H13IN2O3	81.4	372	2.9	21	2	3	5	"InChI=1S/C15H13IN2O3/c16-10-6-7-13(12(8-10)15(17)20)18-14(19)9-21-11-4-2-1-3-5-11/h1-8H,9H2,(H2,17,20)(H,18,19)"	C1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)I)C(=O)N	SSMKHHLWFKIXNJ-UHFFFAOYSA-N
DG68397	5-Methoxy-2-[(2-phenoxyacetyl)amino]benzamide	122188008	CHEMBL3612211; NSC773279; NSC-773279	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773279	.	.	.	.	300.31	C16H16N2O4	90.6	382	2.2	22	2	4	6	"InChI=1S/C16H16N2O4/c1-21-12-7-8-14(13(9-12)16(17)20)18-15(19)10-22-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,17,20)(H,18,19)"	COC1=CC(=C(C=C1)NC(=O)COC2=CC=CC=C2)C(=O)N	DQDXSRPKBHLGJS-UHFFFAOYSA-N
DG68398	"4,5-Dimethoxy-2-(2-phenoxyacetylamino)benzamide"	122188011	"CHEMBL3612214; NSC773280; NSC-773280; 4,5-Dimethoxy-2-(2-phenoxyacetylamino)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773280	.	.	.	.	330.33	C17H18N2O5	99.9	425	2.2	24	2	5	7	"InChI=1S/C17H18N2O5/c1-22-14-8-12(17(18)21)13(9-15(14)23-2)19-16(20)10-24-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H2,18,21)(H,19,20)"	COC1=C(C=C(C(=C1)C(=O)N)NC(=O)COC2=CC=CC=C2)OC	BOZYCRUQBOUCEO-UHFFFAOYSA-N
DG68399	"3-(Benzenesulfonyl)-7-(2-chlorophenyl)-2-methoxy-5,6-dihydropyrazolo[3,4-h]quinoline"	122190675	CHEMBL3617941; NSC771717; NSC-771717	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771717	.	.	.	.	451.9	C23H18ClN3O3S	82.5	726	4.5	31	0	5	4	"InChI=1S/C23H18ClN3O3S/c1-30-23-21(31(28,29)16-7-3-2-4-8-16)13-15-11-12-19-17(22(15)26-23)14-25-27(19)20-10-6-5-9-18(20)24/h2-10,13-14H,11-12H2,1H3"	COC1=C(C=C2CCC3=C(C2=N1)C=NN3C4=CC=CC=C4Cl)S(=O)(=O)C5=CC=CC=C5	XOWRTHAIGRHRSH-UHFFFAOYSA-N
DG68400	NSC798846	122197581	"(2~{r})-2-[5-[3-Chloranyl-2-Methyl-4-[2-(4-Methylpiperazin-1-Yl)ethoxy]phenyl]-6-(5-Fluoranylfuran-2-Yl)thieno[2,3-D]pyrimidin-4-Yl]oxy-3-[2-[[2-[2,2,2-Tris(Fluoranyl)ethyl]pyrazol-3-Yl]methoxy]phenyl]propanoic Acid; S63845; 1799633-27-4; CHEMBL4439276; (2~{r})-2-[5-[3-Chloranyl-2-Methyl-4-[2-(4-Methylpiperazin-1-Yl)ethoxy]phenyl]-6-(5-Fluoranylfuran-2-Yl)thieno[2,3-D]pyrimidin-4-Yl]oxy-3-[2-[[2-[2,2,2-Tris(Fluoranyl)ethyl]pyrazol-3-Yl]methoxy]phenyl]propanoic Acid; (2R)-2-[5-[3-chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluorofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]propanoic acid; SCHEMBL21539607; (R)-2-((5-(3-chloro-2-methyl-4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)-6-(5-fluorofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl)oxy)-3-(2-((1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)methoxy)phenyl)propanoic acid; EX-A1632; BDBM50519614; NSC798846; s8383; CS-6420; NSC-798846; AC-33611; HY-100741; J3.589.270B; Q27868429; UNII-TVF3XUQ4PG component ZFBHXVOCZBPADE-SSEXGKCCSA-N; 70R"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798846	.	.	.	.	829.3	C39H37ClF4N6O6S	156	1300	5.7	57	1	16	15	"InChI=1S/C39H37ClF4N6O6S/c1-23-26(7-8-28(34(23)40)53-18-17-49-15-13-48(2)14-16-49)32-33-36(45-22-46-37(33)57-35(32)29-9-10-31(41)55-29)56-30(38(51)52)19-24-5-3-4-6-27(24)54-20-25-11-12-47-50(25)21-39(42,43)44/h3-12,22,30H,13-21H2,1-2H3,(H,51,52)/t30-/m1/s1"	CC1=C(C=CC(=C1Cl)OCCN2CCN(CC2)C)C3=C(SC4=NC=NC(=C34)O[C@H](CC5=CC=CC=C5OCC6=CC=NN6CC(F)(F)F)C(=O)O)C7=CC=C(O7)F	ZFBHXVOCZBPADE-SSEXGKCCSA-N
DG68401	"N-(4-Chloro-6-morpholino-1,3,5-triazine-2-yl)-1-benzyl-2-methyl-1H-benzoimidazole-6-amine"	122219959	"NSC776053; NSC-776053; N-(4-Chloro-6-morpholino-1,3,5-triazine-2-yl)-1-benzyl-2-methyl-1H-benzoimidazole-6-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	776053	.	.	.	.	435.9	C22H22ClN7O	81	574	4.4	31	1	7	5	"InChI=1S/C22H22ClN7O/c1-15-24-18-8-7-17(13-19(18)30(15)14-16-5-3-2-4-6-16)25-21-26-20(23)27-22(28-21)29-9-11-31-12-10-29/h2-8,13H,9-12,14H2,1H3,(H,25,26,27,28)"	CC1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)NC4=NC(=NC(=N4)Cl)N5CCOCC5	XHVJOIPGKNTPSF-UHFFFAOYSA-N
DG68402	"4-(3,4-Dimethoxyphenyl)-5-(benzo[b]thiophene-3-yl)-2H-1,2,3-triazole"	122372469	"CHEMBL3754542; NSC781599; NSC-781599; 4-(3,4-Dimethoxyphenyl)-5-(benzo[b]thiophene-3-yl)-2H-1,2,3-triazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781599	.	.	.	.	337.4	C18H15N3O2S	88.3	427	3.9	24	1	5	4	"InChI=1S/C18H15N3O2S/c1-22-14-8-7-11(9-15(14)23-2)17-18(20-21-19-17)13-10-24-16-6-4-3-5-12(13)16/h3-10H,1-2H3,(H,19,20,21)"	COC1=C(C=C(C=C1)C2=NNN=C2C3=CSC4=CC=CC=C43)OC	SBLFWQKDQRUDID-UHFFFAOYSA-N
DG68403	CID 122412735	122412735	"PQR620; 1927857-56-4; PQR 620; BCP25403; NSC794442; CS-5948; NSC-794442; BP167875; BS-16395; HY-100026; N16959; 5-[4,6-bis[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794442	.	.	.	.	445.5	C21H25F2N7O2	103	616	2.2	32	1	11	4	"InChI=1S/C21H25F2N7O2/c22-18(23)15-5-17(24)25-6-16(15)19-26-20(29-11-1-2-12(29)8-31-7-11)28-21(27-19)30-13-3-4-14(30)10-32-9-13/h5-6,11-14,18H,1-4,7-10H2,(H2,24,25)/t11-,12+,13-,14+"	C1C[C@H]2COC[C@@H]1N2C3=NC(=NC(=N3)C4=CN=C(C=C4C(F)F)N)N5[C@@H]6CC[C@H]5COC6	UGDKPWVVBKHRDK-KPWCQOOUSA-N
DG68404	NSC782771	122471483	"15,16-Dichloro-20-(3-imidazol-1-ylpropyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione; CHEMBL3765490; SCHEMBL17997496; NSC782771; NSC-782771"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782771	.	.	.	.	468.3	C23H15Cl2N3O4	73.7	838	3.5	32	0	5	4	"InChI=1S/C23H15Cl2N3O4/c24-16-6-12-15(7-17(16)25)23(30)28(4-1-3-27-5-2-26-10-27)21-13-8-18-19(32-11-31-18)9-14(13)22(29)20(12)21/h2,5-10H,1,3-4,11H2"	C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=CC(=C(C=C5C(=O)N4CCCN6C=CN=C6)Cl)Cl	NVWZHPZYXUQSKV-UHFFFAOYSA-N
DG68405	NSC780892	122471484	"16-Chloro-20-(3-imidazol-1-ylpropyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione; CHEMBL3763868; SCHEMBL17997497; NSC780892; NSC-780892"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780892	.	.	.	.	433.8	C23H16ClN3O4	73.7	804	2.9	31	0	5	4	"InChI=1S/C23H16ClN3O4/c24-13-2-3-14-17(8-13)23(29)27(6-1-5-26-7-4-25-11-26)21-15-9-18-19(31-12-30-18)10-16(15)22(28)20(14)21/h2-4,7-11H,1,5-6,12H2"	C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)Cl)C(=O)N4CCCN6C=CN=C6	VYUYFJRNLYJOIS-UHFFFAOYSA-N
DG68406	NSC782769	122471485	"15,16-Difluoro-20-(3-imidazol-1-ylpropyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione; CHEMBL3763462; SCHEMBL17997498; NSC782769; NSC-782769"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782769	.	.	.	.	435.4	C23H15F2N3O4	73.7	838	2.5	32	0	7	4	"InChI=1S/C23H15F2N3O4/c24-16-6-12-15(7-17(16)25)23(30)28(4-1-3-27-5-2-26-10-27)21-13-8-18-19(32-11-31-18)9-14(13)22(29)20(12)21/h2,5-10H,1,3-4,11H2"	C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=CC(=C(C=C5C(=O)N4CCCN6C=CN=C6)F)F	INXOSBIKPYGOJK-UHFFFAOYSA-N
DG68407	"3-Fluoro-6-[3-[(2-hydroxyethyl)amino]propyl]-5H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione"	122484905	"CHEMBL3765705; SCHEMBL18012251; BDBM50148027; NSC781517; NSC-781517; J3.551.321C; 3-Fluoro-6-[3-[(2-hydroxyethyl)amino]propyl]-5H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781517	.	.	.	.	410.4	C22H19FN2O5	88.1	743	1.5	30	2	7	6	"InChI=1S/C22H19FN2O5/c23-12-2-3-13-16(8-12)22(28)25(6-1-4-24-5-7-26)20-14-9-17-18(30-11-29-17)10-15(14)21(27)19(13)20/h2-3,8-10,24,26H,1,4-7,11H2"	C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)F)C(=O)N4CCCNCCO	YFHMWOJCGJARKT-UHFFFAOYSA-N
DG68408	NSC781521	122484906	"16-Chloro-20-[3-(2-hydroxyethylamino)propyl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione; CHEMBL3763597; SCHEMBL18012252; BDBM50148028; NSC781521; NSC-781521"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781521	.	.	.	.	426.8	C22H19ClN2O5	88.1	743	2.1	30	2	6	6	"InChI=1S/C22H19ClN2O5/c23-12-2-3-13-16(8-12)22(28)25(6-1-4-24-5-7-26)20-14-9-17-18(30-11-29-17)10-15(14)21(27)19(13)20/h2-3,8-10,24,26H,1,4-7,11H2"	C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)Cl)C(=O)N4CCCNCCO	UWXUPGPYKSOJJG-UHFFFAOYSA-N
DG68409	"[(1,5-Dihydroxy-2-oxopyrrolidin-3-yl)-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate"	122515581	SCHEMBL18048515; NSC795666; NSC-795666	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795666	.	.	.	.	425.37	C16H28NO10P	149	615	0.9	28	2	10	11	"InChI=1S/C16H28NO10P/c1-15(2,3)13(20)24-8-26-28(23,10-7-11(18)17(22)12(10)19)27-9-25-14(21)16(4,5)6/h10-11,18,22H,7-9H2,1-6H3"	CC(C)(C)C(=O)OCOP(=O)(C1CC(N(C1=O)O)O)OCOC(=O)C(C)(C)C	WMYNAUQRRMHLEA-UHFFFAOYSA-N
DG68410	Pomhex	122540908	POMHEX; CHEMBL4647008; SCHEMBL18077426; BDBM50543110; NSC784584; NSC-784584; HY-131904; CS-0142782	.	.	Investigative Drug(s)	Investigative	Small molecular drug	784584	.	.	.	.	423.4	C17H30NO9P	129	600	1.8	28	1	9	11	"InChI=1S/C17H30NO9P/c1-16(2,3)14(20)24-10-26-28(23,12-8-7-9-18(22)13(12)19)27-11-25-15(21)17(4,5)6/h12,22H,7-11H2,1-6H3"	CC(C)(C)C(=O)OCOP(=O)(C1CCCN(C1=O)O)OCOC(=O)C(C)(C)C	TVFIFFUSHZDTKT-UHFFFAOYSA-N
DG68412	NSC780893	122660202	"16-chloro-20-[(2S)-2,3-dihydroxypropyl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione; CHEMBL3764791; SCHEMBL18194727; NSC780893; NSC-780893"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780893	.	.	.	.	399.8	C20H14ClNO6	96.3	726	1.5	28	2	6	3	"InChI=1S/C20H14ClNO6/c21-9-1-2-11-14(3-9)20(26)22(6-10(24)7-23)18-12-4-15-16(28-8-27-15)5-13(12)19(25)17(11)18/h1-5,10,23-24H,6-8H2/t10-/m0/s1"	C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)Cl)C(=O)N4C[C@@H](CO)O	LAJPBLOIENLNAS-JTQLQIEISA-N
DG68413	NSC781519	122660203	"16-fluoro-20-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione; CHEMBL3763467; SCHEMBL18194728; NSC781519; NSC-781519"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781519	.	.	.	.	443.4	C22H18FNO8	137	820	-0.2	32	4	9	5	"InChI=1S/C22H18FNO8/c23-9-1-2-10-13(3-9)22(30)24(6-14(26)21(29)15(27)7-25)19-11-4-16-17(32-8-31-16)5-12(11)20(28)18(10)19/h1-5,14-15,21,25-27,29H,6-8H2/t14-,15+,21+/m0/s1"	C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)F)C(=O)N4C[C@@H]([C@H]([C@@H](CO)O)O)O	FMGXTLBJBMKAAM-PDSXEYIOSA-N
DG68414	NSC782770	122660205	"20-[(2S)-2,3-dihydroxypropyl]-15,16-difluoro-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione; CHEMBL3764089; SCHEMBL18194730; NSC782770; NSC-782770"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782770	.	.	.	.	401.3	C20H13F2NO6	96.3	759	1.1	29	2	8	3	"InChI=1S/C20H13F2NO6/c21-13-1-9-12(2-14(13)22)20(27)23(5-8(25)6-24)18-10-3-15-16(29-7-28-15)4-11(10)19(26)17(9)18/h1-4,8,24-25H,5-7H2/t8-/m0/s1"	C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=CC(=C(C=C5C(=O)N4C[C@@H](CO)O)F)F	ILEBIIJILXMXHG-QMMMGPOBSA-N
DG68415	NSC782772	122660206	"15,16-dichloro-20-[(2S)-2,3-dihydroxypropyl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione; CHEMBL3765332; SCHEMBL18194731; NSC782772; NSC-782772"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782772	.	.	.	.	434.2	C20H13Cl2NO6	96.3	759	2.1	29	2	6	3	"InChI=1S/C20H13Cl2NO6/c21-13-1-9-12(2-14(13)22)20(27)23(5-8(25)6-24)18-10-3-15-16(29-7-28-15)4-11(10)19(26)17(9)18/h1-4,8,24-25H,5-7H2/t8-/m0/s1"	C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=CC(=C(C=C5C(=O)N4C[C@@H](CO)O)Cl)Cl	ARIPEJUFKRWZFM-QMMMGPOBSA-N
DG68416	Erk-IN-3	124122366	ERK-IN-3; ASN007; 2055597-12-9; ASN007 free base; Asn007 rd; CHEMBL4650280; SCHEMBL18298340; ASN-007; NSC828319; NSC-828319; HY-136579; CS-0131841; N-[(1S)-2-amino-1-(3-chloro-5-fluorophenyl)ethyl]-1-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]imidazole-4-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	828319	.	.	.	.	473.9	C22H25ClFN7O2	120	644	2.3	33	3	8	7	"InChI=1S/C22H25ClFN7O2/c1-13-10-26-22(28-17-2-4-33-5-3-17)30-20(13)31-11-19(27-12-31)21(32)29-18(9-25)14-6-15(23)8-16(24)7-14/h6-8,10-12,17-18H,2-5,9,25H2,1H3,(H,29,32)(H,26,28,30)/t18-/m1/s1"	CC1=CN=C(N=C1N2C=C(N=C2)C(=O)N[C@H](CN)C3=CC(=CC(=C3)Cl)F)NC4CCOCC4	PWHIUQBBGPGFFV-GOSISDBHSA-N
DG68417	AZD4573 free base	124155204	"AZD4573; 2057509-72-3; AZD-4573; AZD4573 free base; UNII-E5XSP3X68B; E5XSP3X68B; CHEMBL4462530; 2057509-72-3 (free base); (1S,3R)-3-acetamido-N-(5-chloro-4-(5,5-dimethyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl)cyclohexane-1-carboxamide; (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide; (1S,3R)-3-acetamido-N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide; SCHEMBL18338402; GTPL11782; AZD 4573; EX-A4269; BDBM50528817; NSC816554; s8719; AT10696; NSC-816554; compound 24 [PMID: 33306391]; AC-31554; BA166454; HY-112088; CS-0043316; A904222; (1S,3R)-3-(Acetylamino)-N-(5-chloro-4-(5,6-dihydro-5,5-dimethyl-4H-pyrrolo(1,2-b)pyrazol-3-yl)-2-pyridinyl)cyclohexanecarboxamide; (1S,3R)-N-(5-chloro-4-{5,5-dimethyl-4H,5H,6H-pyrrolo[1,2-b]pyrazol-3-yl}pyridin-2-yl)-3-acetamidocyclohexane-1-carboxamide; Q6E"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	816554	.	.	.	.	429.9	C22H28ClN5O2	88.9	659	2.7	30	2	4	4	"InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1"	CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)NC2=NC=C(C(=C2)C3=C4CC(CN4N=C3)(C)C)Cl	AVIWDYSJSPOOAR-LSDHHAIUSA-N
DG68418	Inavolisib	124173720	"GDC-0077; 2060571-02-8; Inavolisib; RG6114; GDC0077; UNII-L4C1UY2NYH; L4C1UY2NYH; Ro7113755; (2S)-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide; (S)-2-((2-((S)-4-(difluoromethyl)-2-oxooxazolidin-3-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)amino)propanamide; Inavolisib [USAN]; GTPL9636; CHEMBL4650215; SCHEMBL18360780; BDBM295665; AMY16810; EX-A2685; MFCD31382124; NSC800729; s8668; US10112932, Compound 101; WHO 11204; ZINC669678973; CS-6459; DB15275; GDC-0077; RG6114; NSC-800729; RG-6114; AC-31594; HY-101562; RO-7113755; A903455; (S)-2-((2-((S)-4-(difluoromethyl)- 2-oxooxazolidin-3-yl)-5,6- dihydrobenzo[f]imidazo[1,2- d][1,4]oxazepin-9- yl)amino)propanamide; (S)-2-((2-((S)-4-(Difluoromethyl)-2-oxooxazolidin-3-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)propanamide (GDC-0077); Propanamide, 2-((2-((4S)-4-(difluoromethyl)-2-oxo-3-oxazolidinyl)-5,6-dihydroimidazo(1,2-d)(1,4)benzoxazepin-9-yl)amino)-, (2S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800729	.	.	.	.	407.4	C18H19F2N5O4	112	641	1.5	29	2	8	5	"InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1"	C[C@@H](C(=O)N)NC1=CC2=C(C=C1)C3=NC(=CN3CCO2)N4[C@@H](COC4=O)C(F)F	SGEUNORSOZVTOL-CABZTGNLSA-N
DG68419	"(5aR,6S,9R,9aR)-1-oxo-6-propan-2-ylspiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepine-9,2'-oxirane]-4-carboxylic acid"	124511146	57710-57-3; NSC785352; NSC-785352	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785352	.	.	.	.	280.32	C15H20O5	76.1	481	1.4	20	1	5	2	"InChI=1S/C15H20O5/c1-8(2)10-3-4-15(7-20-15)12-11(10)5-9(13(16)17)6-19-14(12)18/h5,8,10-12H,3-4,6-7H2,1-2H3,(H,16,17)/t10-,11-,12-,15-/m0/s1"	CC(C)[C@@H]1CC[C@]2(CO2)[C@H]3[C@H]1C=C(COC3=O)C(=O)O	JESMSCGUTIEROV-ASHKBJFXSA-N
DG68420	"2-(4-Methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidine-4(3H)-one"	125997259	"NSC775877; ZINC408990627; NSC-775877; J3.550.920H; 2-(4-Methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidine-4(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775877	.	.	.	.	340.4	C19H20N2O2S	78.9	502	4.6	24	1	4	2	"InChI=1S/C19H20N2O2S/c1-23-13-10-8-12(9-11-13)17-20-18(22)16-14-6-4-2-3-5-7-15(14)24-19(16)21-17/h8-11H,2-7H2,1H3,(H,20,21,22)"	COC1=CC=C(C=C1)C2=NC3=C(C4=C(S3)CCCCCC4)C(=O)N2	OGLRTDWRLKEDAG-UHFFFAOYSA-N
DG68421	ethyl 5-(4-chlorophenyl)-3-pyridin-3-yl-1H-pyrrole-2-carboxylate	126601193	SCHEMBL18529236; NSC789852; NSC-789852	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789852	.	.	.	.	326.8	C18H15ClN2O2	55	399	4.1	23	1	3	5	"InChI=1S/C18H15ClN2O2/c1-2-23-18(22)17-15(13-4-3-9-20-11-13)10-16(21-17)12-5-7-14(19)8-6-12/h3-11,21H,2H2,1H3"	CCOC(=O)C1=C(C=C(N1)C2=CC=C(C=C2)Cl)C3=CN=CC=C3	SWQCAHOXTIWWTN-UHFFFAOYSA-N
DG68422	"N-(5-methoxynaphthalen-2-yl)-N,2-dimethylthieno[3,2-d]pyrimidin-4-amine"	126610876	SCHEMBL18540832; NSC800145; NSC-800145	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800145	.	.	.	.	335.4	C19H17N3OS	66.5	437	4.9	24	0	5	3	"InChI=1S/C19H17N3OS/c1-12-20-16-9-10-24-18(16)19(21-12)22(2)14-7-8-15-13(11-14)5-4-6-17(15)23-3/h4-11H,1-3H3"	CC1=NC2=C(C(=N1)N(C)C3=CC4=C(C=C3)C(=CC=C4)OC)SC=C2	MTHGUBBFWBERGE-UHFFFAOYSA-N
DG68423	Onametostat	126637809	"JNJ-64619178; 2086772-26-9; Onametostat; UNII-N8VKI8FPW0; N8VKI8FPW0; JNJ64619178; CHEMBL4249337; (1S,2R,3S,5R)-3-[2-(2-amino-3-bromo-7-quinolinyl)ethyl]-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-1,2-cyclopentanediol; (1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol; JNJ45031882; (1S,2R,3S,5R)-3-(2-(2-Amino-3-bromoquinolin-7-yl)ethyl)-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol; (1S,2R,3S,5R)-3-(2-(2-Amino-3-bromoquinolin-7-yl)ethyl)-5-(4-amino-7H-pyrrolo(2,3-d)pyrimidin-7-yl)cyclopentane-1,2-diol; entane-1,2-diol; Onametostat [INN]; SCHEMBL18572106; GTPL11749; EX-A2791; BDBM50462572; NSC808507; NSC-808507; Example 80 [WO2017032840A1]; HY-101564; CS-0021720; S8624; A16861; A930252; (1~{S},2~{R},3~{S},5~{R})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclop; (1~{S},2~{R},3~{S},5~{R})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclop entane-1,2-diol; 1,2-Cyclopentanediol, 3-(2-(2-amino-3-bromo-7-quinolinyl)ethyl)-5-(4-amino-7H-pyrrolo(2,3-d)pyrimidin-7-yl)-, (1S,2R,3S,5R)-; K8N"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	808507	.	.	.	.	483.4	C22H23BrN6O2	136	631	2.3	31	4	7	4	"InChI=1S/C22H23BrN6O2/c23-15-8-12-3-1-11(7-16(12)28-21(15)25)2-4-13-9-17(19(31)18(13)30)29-6-5-14-20(24)26-10-27-22(14)29/h1,3,5-8,10,13,17-19,30-31H,2,4,9H2,(H2,25,28)(H2,24,26,27)/t13-,17+,18+,19-/m0/s1"	C1[C@@H]([C@H]([C@H]([C@@H]1N2C=CC3=C(N=CN=C32)N)O)O)CCC4=CC5=NC(=C(C=C5C=C4)Br)N	DBSMLQTUDJVICQ-CJODITQLSA-N
DG68424	"7-Fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)pyridin-3-yl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one"	126689157	"AZD1390; 2089288-03-7; AZD-1390; UNII-CI43QFE22O; CI43QFE22O; 7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)pyridin-3-yl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one; CHEMBL4594429; SCHEMBL18631972; GTPL11277; EX-A2670; BDBM50565800; NSC803789; s8680; ZB1512; AKOS037515647; CCG-269518; CS-8217; NSC-803789; BS-15814; HY-109566; A16798; D80599; 2H-Imidazo(4,5-C)quinolin-2-one, 7-fluoro-1,3-dihydro-3-methyl-1-(1-methylethyl)-8-(6-(3-(1-piperidinyl)propoxy)-3-pyridinyl)-; 7-Fluoro-1-isopropyl-3-methyl-8-(-(3-(1-piperidinyl)propoxy)-3-pyridinyl)-1,3-dihydro-2himidazo(4,5-C)quinolin-2-one; 7-fluoro-1-isopropyl-3-methyl-8-(6-(3-(piperidin-1-yl)propoxy)pyridin-3-yl)-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one; 7-fluoro-1-isopropyl-3-methyl-8-(6-(3-(piperidin-1-yl)propoxy)pyridin-3-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803789	.	.	.	.	477.6	C27H32FN5O2	61.8	720	4.2	35	0	6	7	"InChI=1S/C27H32FN5O2/c1-18(2)33-26-21-14-20(22(28)15-23(21)29-17-24(26)31(3)27(33)34)19-8-9-25(30-16-19)35-13-7-12-32-10-5-4-6-11-32/h8-9,14-18H,4-7,10-13H2,1-3H3"	CC(C)N1C2=C(C=NC3=CC(=C(C=C32)C4=CN=C(C=C4)OCCCN5CCCCC5)F)N(C1=O)C	VQSZIPCGAGVRRP-UHFFFAOYSA-N
DG68425	N-(2-Oxo-2-(2-phenoxyphenylamino)ethyl)-1-naphthamide	126718383	AOH1160; 2089314-57-6; N-(2-Oxo-2-(2-phenoxyphenylamino)ethyl)-1-naphthamide; N-[2-oxo-2-(2-phenoxyanilino)ethyl]naphthalene-1-carboxamide; SCHEMBL18666146; NSC785901; NSC-785901; HY-120836; CS-0079286	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785901	.	.	.	.	396.4	C25H20N2O3	67.4	575	4.9	30	2	3	6	"InChI=1S/C25H20N2O3/c28-24(17-26-25(29)21-14-8-10-18-9-4-5-13-20(18)21)27-22-15-6-7-16-23(22)30-19-11-2-1-3-12-19/h1-16H,17H2,(H,26,29)(H,27,28)"	C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CNC(=O)C3=CC=CC4=CC=CC=C43	COPRLRLXDBSLET-UHFFFAOYSA-N
DG68426	CID 127020967	127020967	"EC330; 2016795-77-8; EC-330; (8S,11R,13S,14S,17S)-11-(4-cyclopropylphenyl)-17-(1,1-difluoroprop-2-ynyl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one; BCP29056; EX-A1690; NSC781493; NSC798304; AKOS037649081; CS-6270; NSC-781493; NSC-798304; BS-16515; HY-100949; S0472; D80671"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798304	.	.	.	.	462.6	C30H32F2O2	37.3	1000	4.7	34	1	4	3	"InChI=1S/C30H32F2O2/c1-3-30(31,32)29(34)15-14-26-24-12-10-21-16-22(33)11-13-23(21)27(24)25(17-28(26,29)2)20-8-6-19(7-9-20)18-4-5-18/h1,6-9,16,18,24-26,34H,4-5,10-15,17H2,2H3/t24-,25+,26-,28-,29-/m0/s1"	C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C(C#C)(F)F)O)C5=CC=C(C=C5)C6CC6	OWPPSPZDYGHPAN-GCNJZUOMSA-N
DG68427	"2,4-Difluoro-N-[2-methoxy-5-[4-[3-(4-methylsulfonylpiperazin-1-yl)prop-1-ynyl]quinolin-6-yl]pyridin-3-yl]benzenesulfonamide"	127025628	"NSC781406; 1676893-24-5; CHEMBL3763244; 2,4-Difluoro-N-[2-methoxy-5-[4-[3-(4-methylsulfonylpiperazin-1-yl)prop-1-ynyl]quinolin-6-yl]pyridin-3-yl]benzenesulfonamide; BCP20676; BSC89324; BDBM50145412; CS-6958; NSC-781406; HY-100470; J3.552.116J; N-[2-Methoxy-5-[4-[3-[4-(methylsulfonyl)-1-piperazinyl]-1-propynyl]-6-quinolyl]-3-pyridyl]-2,4-difluorobenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781406	.	.	.	.	627.7	C29H27F2N5O5S2	139	1230	3.1	43	1	12	8	"InChI=1S/C29H27F2N5O5S2/c1-41-29-27(34-43(39,40)28-8-6-23(30)18-25(28)31)17-22(19-33-29)21-5-7-26-24(16-21)20(9-10-32-26)4-3-11-35-12-14-36(15-13-35)42(2,37)38/h5-10,16-19,34H,11-15H2,1-2H3"	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C#CCN4CCN(CC4)S(=O)(=O)C)NS(=O)(=O)C5=C(C=C(C=C5)F)F	BBRINJUWZRLWKK-UHFFFAOYSA-N
DG68428	"2-Cyclopropyl-5-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole"	127036222	CHEMBL3752806; NSC775002; NSC-775002	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775002	.	.	.	.	467.5	C24H25N3O5S	105	644	4.6	33	0	8	8	"InChI=1S/C24H25N3O5S/c1-28-16-9-8-14(10-17(16)29-2)21-20(25-24-27(21)26-23(33-24)13-6-7-13)15-11-18(30-3)22(32-5)19(12-15)31-4/h8-13H,6-7H2,1-5H3"	COC1=C(C=C(C=C1)C2=C(N=C3N2N=C(S3)C4CC4)C5=CC(=C(C(=C5)OC)OC)OC)OC	YHOUCGMIPIRBAV-UHFFFAOYSA-N
DG68429	"4-(Benzo[b]thiophen-2-yl)-2-methyl-5-(3,4,5-trimethoxyphenyl)-2H-1,2,3-triazole"	127036247	"CHEMBL3751943; NSC781600; NSC-781600; 4-(Benzo[b]thiophen-2-yl)-2-methyl-5-(3,4,5-trimethoxyphenyl)-2H-1,2,3-triazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781600	.	.	.	.	381.4	C20H19N3O3S	86.6	485	4.5	27	0	6	5	"InChI=1S/C20H19N3O3S/c1-23-21-18(13-9-14(24-2)20(26-4)15(10-13)25-3)19(22-23)17-11-12-7-5-6-8-16(12)27-17/h5-11H,1-4H3"	CN1N=C(C(=N1)C2=CC3=CC=CC=C3S2)C4=CC(=C(C(=C4)OC)OC)OC	PRHJOOURPYYDPA-UHFFFAOYSA-N
DG68430	"N-cyclohexyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide"	127036356	CHEMBL3754806; NSC775951; NSC-775951	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775951	.	.	.	.	412.5	C24H24N6O	84.7	583	4.8	31	2	5	5	"InChI=1S/C24H24N6O/c31-24(29-18-7-3-1-4-8-18)17-11-13-19(14-12-17)28-22-21-15-27-30(23(21)26-16-25-22)20-9-5-2-6-10-20/h2,5-6,9-16,18H,1,3-4,7-8H2,(H,29,31)(H,25,26,28)"	C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC3=C4C=NN(C4=NC=N3)C5=CC=CC=C5	SKZWHZCMLRRTSH-UHFFFAOYSA-N
DG68431	"2-N-(1-benzyl-2-methylbenzimidazol-5-yl)-6-(4-chlorophenyl)-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine"	127041910	CHEMBL3746597; BDBM50134307; NSC774861; NSC-774861	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774861	.	.	.	.	536	C30H23ClFN7	80.6	756	7.6	39	2	7	7	"InChI=1S/C30H23ClFN7/c1-19-33-26-17-25(15-16-27(26)39(19)18-20-5-3-2-4-6-20)35-30-37-28(21-7-9-22(31)10-8-21)36-29(38-30)34-24-13-11-23(32)12-14-24/h2-17H,18H2,1H3,(H2,34,35,36,37,38)"	CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)C6=CC=C(C=C6)Cl	BIPAKNCFINWKKL-UHFFFAOYSA-N
DG68432	"2-N-(1-benzyl-2-methylbenzimidazol-5-yl)-4-N-(4-fluorophenyl)-6-thiophen-2-yl-1,3,5-triazine-2,4-diamine"	127041911	CHEMBL3746824; BDBM50134319; NSC771657; NSC-771657	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771657	.	.	.	.	507.6	C28H22FN7S	109	719	6.7	37	2	8	7	"InChI=1S/C28H22FN7S/c1-18-30-23-16-22(13-14-24(23)36(18)17-19-6-3-2-4-7-19)32-28-34-26(25-8-5-15-37-25)33-27(35-28)31-21-11-9-20(29)10-12-21/h2-16H,17H2,1H3,(H2,31,32,33,34,35)"	CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)C6=CC=CS6	JDJVYRWPSQZWIP-UHFFFAOYSA-N
DG68433	"2-N-(1-benzyl-2-methylbenzimidazol-5-yl)-4-N-(4-fluorophenyl)-6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine"	127041912	CHEMBL3746201; BDBM50134318; NSC774862; NSC-774862	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774862	.	.	.	.	531.6	C31H26FN7O	89.8	771	7	40	2	8	8	"InChI=1S/C31H26FN7O/c1-20-33-27-18-25(14-17-28(27)39(20)19-21-6-4-3-5-7-21)35-31-37-29(22-8-15-26(40-2)16-9-22)36-30(38-31)34-24-12-10-23(32)11-13-24/h3-18H,19H2,1-2H3,(H2,34,35,36,37,38)"	CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)C6=CC=C(C=C6)OC	VVLWMJLHVYCQTB-UHFFFAOYSA-N
DG68434	"13-Methoxy-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione"	127042931	CHEMBL3765755; NSC795140; NSC-795140	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795140	.	.	.	.	278.26	C16H10N2O3	60.7	466	2.8	21	0	4	1	"InChI=1S/C16H10N2O3/c1-21-9-6-7-12-17-13-10-4-2-3-5-11(10)15(19)16(20)14(13)18(12)8-9/h2-8H,1H3"	COC1=CN2C(=NC3=C2C(=O)C(=O)C4=CC=CC=C43)C=C1	YPGSDBSFQPHKMV-UHFFFAOYSA-N
DG68435	"13-(Trifluoromethyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione"	127042965	CHEMBL3763610; NSC795136; NSC-795136	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795136	.	.	.	.	316.23	C16H7F3N2O2	51.4	536	3.7	23	0	6	0	"InChI=1S/C16H7F3N2O2/c17-16(18,19)8-5-6-11-20-12-9-3-1-2-4-10(9)14(22)15(23)13(12)21(11)7-8/h1-7H"	C1=CC=C2C(=C1)C3=C(C(=O)C2=O)N4C=C(C=CC4=N3)C(F)(F)F	NMHQRFSBLFQRMV-UHFFFAOYSA-N
DG68436	"2-[3-(Dimethylamino)propyl]-3,4-(1,2-phenylenecarbonyl)-1,2-dihydro-2,6-naphthyridine-1-one"	127044083	"CHEMBL3809043; SCHEMBL19372729; BDBM50172717; NSC780889; NSC-780889; J3.605.556A; 2-[3-(Dimethylamino)propyl]-3,4-(1,2-phenylenecarbonyl)-1,2-dihydro-2,6-naphthyridine-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780889	.	.	.	.	333.4	C20H19N3O2	53.5	598	1.7	25	0	4	4	"InChI=1S/C20H19N3O2/c1-22(2)10-5-11-23-18-13-6-3-4-7-14(13)19(24)17(18)16-12-21-9-8-15(16)20(23)25/h3-4,6-9,12H,5,10-11H2,1-2H3"	CN(C)CCCN1C2=C(C3=C(C1=O)C=CN=C3)C(=O)C4=CC=CC=C42	VEHGJNKIAVQNKN-UHFFFAOYSA-N
DG68437	"N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine"	127044246	CHEMBL3809775; NSC787250; NSC-787250	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787250	.	.	.	.	467.5	C26H22FN7O	91.8	666	4.9	35	2	8	5	"InChI=1S/C26H22FN7O/c27-19-9-5-17(6-10-19)24-31-25(33-26(32-24)34-13-15-35-16-14-34)28-20-11-7-18(8-12-20)23-29-21-3-1-2-4-22(21)30-23/h1-12H,13-16H2,(H,29,30)(H,28,31,32,33)"	C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4)C6=CC=C(C=C6)F	PJQUZTXDFLIJNA-UHFFFAOYSA-N
DG68438	"N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-6-phenyl-1,3,5-triazin-2-amine"	127044425	CHEMBL3809638; NSC787248; NSC-787248	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787248	.	.	.	.	449.5	C26H23N7O	91.8	633	4.8	34	2	7	5	"InChI=1S/C26H23N7O/c1-2-6-18(7-3-1)24-30-25(32-26(31-24)33-14-16-34-17-15-33)27-20-12-10-19(11-13-20)23-28-21-8-4-5-9-22(21)29-23/h1-13H,14-17H2,(H,28,29)(H,27,30,31,32)"	C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4)C6=CC=CC=C6	PWMMZOGAWPJKEC-UHFFFAOYSA-N
DG68439	"(E)-3-(3,4-dimethoxyphenyl)-1-[4-(quinazolin-4-ylamino)phenyl]prop-2-en-1-one"	127044901	CHEMBL3809167; BDBM50174323; NSC760014; NSC-760014	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760014	.	.	.	.	411.5	C25H21N3O3	73.3	605	5.1	31	1	6	7	"InChI=1S/C25H21N3O3/c1-30-23-14-8-17(15-24(23)31-2)7-13-22(29)18-9-11-19(12-10-18)28-25-20-5-3-4-6-21(20)26-16-27-25/h3-16H,1-2H3,(H,26,27,28)/b13-7+"	COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)NC3=NC=NC4=CC=CC=C43)OC	YRPMJULDYABSPQ-NTUHNPAUSA-N
DG68440	"4-[[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide"	127046489	CHEMBL3798983; BDBM50500971; NSC780956; NSC-780956	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780956	.	.	.	.	488.3	C21H15Cl2N5O3S	134	677	4.6	32	3	6	5	"InChI=1S/C21H15Cl2N5O3S/c1-24-19(29)17-9-13(6-7-25-17)31-12-3-5-16-18(10-12)32-21(27-16)28-20(30)26-11-2-4-14(22)15(23)8-11/h2-10H,1H3,(H,24,29)(H2,26,27,28,30)"	CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N=C(S3)NC(=O)NC4=CC(=C(C=C4)Cl)Cl	KNOQVYGPDZKJHQ-UHFFFAOYSA-N
DG68441	"4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide"	127047275	"CHEMBL3799746; BDBM50500969; NSC780450; NSC-780450; 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780450	.	.	.	.	521.9	C22H15ClF3N5O3S	134	766	4.9	35	3	9	5	"InChI=1S/C22H15ClF3N5O3S/c1-27-19(32)17-9-13(6-7-28-17)34-12-3-5-16-18(10-12)35-21(30-16)31-20(33)29-11-2-4-15(23)14(8-11)22(24,25)26/h2-10H,1H3,(H,27,32)(H2,29,30,31,33)"	CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N=C(S3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F	IOTROVDBTOGLFR-UHFFFAOYSA-N
DG68442	"1-Phenyl-3-(trifluoromethyl)-1,2,4-benzotriazine-7(1H)-one"	127049337	"1-Phenyl-3-(trifluoromethyl)-1,2,4-benzotriazine-7(1H)-one; CHEMBL3813854; NSC780813; NSC-780813; J3.555.193J"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780813	.	.	.	.	291.23	C14H8F3N3O	45	581	2.9	21	0	6	1	"InChI=1S/C14H8F3N3O/c15-14(16,17)13-18-11-7-6-10(21)8-12(11)20(19-13)9-4-2-1-3-5-9/h1-8H"	C1=CC=C(C=C1)N2C3=CC(=O)C=CC3=NC(=N2)C(F)(F)F	AEDFKBPHAFWPTR-UHFFFAOYSA-N
DG68443	"2-(Diethylamino)-4-(4-chlorophenyl)-8-chloro-2H-1,3-dithia-5-oxa-4H-cyclopenta[a]naphthalene-2-ylium"	127050246	"CHEMBL3815195; NSC794209; NSC-794209; J3.553.453I; 2-(Diethylamino)-4-(4-chlorophenyl)-8-chloro-2H-1,3-dithia-5-oxa-4H-cyclopenta[a]naphthalene-2-ylium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794209	.	.	.	.	423.4	C20H18Cl2NOS2+	62.8	595	6.2	26	0	3	3	"InChI=1S/C20H18Cl2NOS2/c1-3-23(4-2)20-25-18-15-11-14(22)9-10-16(15)24-17(19(18)26-20)12-5-7-13(21)8-6-12/h5-11,17H,3-4H2,1-2H3/q+1"	CC[N+](=C1SC2=C(S1)C3=C(C=CC(=C3)Cl)OC2C4=CC=C(C=C4)Cl)CC	BNOXBBORQRCKNS-UHFFFAOYSA-N
DG68444	"N-(2-chloro-6-methylphenyl)-2-(3,5-dimorpholin-4-ylanilino)-1,3-thiazole-5-carboxamide"	127053588	SCHEMBL20530758; NSC801017; NSC-801017; SH_03_04; 8ZT	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801017	.	.	.	.	514	C25H28ClN5O3S	107	670	4.5	35	2	8	6	"InChI=1S/C25H28ClN5O3S/c1-17-3-2-4-21(26)23(17)29-24(32)22-16-27-25(35-22)28-18-13-19(30-5-9-33-10-6-30)15-20(14-18)31-7-11-34-12-8-31/h2-4,13-16H,5-12H2,1H3,(H,27,28)(H,29,32)"	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=CC(=C3)N4CCOCC4)N5CCOCC5	FISCIEKUXURIRB-UHFFFAOYSA-N
DG68445	"N-(2-chloro-6-methylphenyl)-2-(3-methylsulfonyl-5-morpholin-4-ylanilino)-1,3-thiazole-5-carboxamide"	127053595	SCHEMBL20530764; NSC801018; NSC-801018; SH_03_07; 8ZW	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801018	.	.	.	.	507	C22H23ClN4O4S2	137	777	4	33	2	8	6	"InChI=1S/C22H23ClN4O4S2/c1-14-4-3-5-18(23)20(14)26-21(28)19-13-24-22(32-19)25-15-10-16(27-6-8-31-9-7-27)12-17(11-15)33(2,29)30/h3-5,10-13H,6-9H2,1-2H3,(H,24,25)(H,26,28)"	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=CC(=C3)S(=O)(=O)C)N4CCOCC4	JWVBEFCCTKVFPM-UHFFFAOYSA-N
DG68446	NSC830201	129045720	"(2-Chloro-4-phenoxyphenyl)(4-(((3R,6S)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)amino)-7h-pyrrolo[2,3-d]pyrimidin-5-yl)methanone; ARQ 531; 2095393-15-8; ARQ-531; UNII-JTZ51LIXN4; JTZ51LIXN4; ARQ531; MK1026; MK-1026; (2-Chloro-4-phenoxyphenyl)(4-(((3R,6S)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)amino)-7h-pyrrolo[2,3-d]pyrimidin-5-yl)methanone; (2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone; 1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-D-erythro-hexitol; nemtabrutinib; (2-Chloro-4-phenoxyphenyl)(4-(((3R,6S)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)amino)-7H-pyrrolo(2,3-d)pyrimidin-5-yl)methanone; ArQule 531; CHEMBL4756476; SCHEMBL18756744; SCHEMBL18770934; GTPL11413; ARQ531; ARQ 531; BDBM499811; BCP29029; EX-A2727; VID39315; MFCD31692379; NSC830201; s8711; AT10312; CCG-269533; NSC-830201; US11020398, Compound I-123; AS-79762; HY-112215; CS-0044154; (2-Chloro-4-phenoxyphenyl)(4-(((3R,6S)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)amino)-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone; HRA"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	830201	.	.	.	.	478.9	C25H23ClN4O4	109	681	4.3	34	3	7	7	"InChI=1S/C25H23ClN4O4/c26-21-10-17(34-16-4-2-1-3-5-16)8-9-19(21)23(32)20-11-27-24-22(20)25(29-14-28-24)30-15-6-7-18(12-31)33-13-15/h1-5,8-11,14-15,18,31H,6-7,12-13H2,(H2,27,28,29,30)/t15-,18+/m1/s1"	C1C[C@H](OC[C@@H]1NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl)CO	JSFCZQSJQXFJDS-QAPCUYQASA-N
DG68448	Selitrectinib	129103609	"Selitrectinib; LOXO-195; 2097002-61-2; LOXO195; UNII-0J45910S3X; (6R,15R)-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one; 0J45910S3X; SelitrectinibLOXO-195; LOXO 195(Selitrectinib); CHEMBL4297627; SCHEMBL18823882; GTPL10314; Selitrectinib pound LOXO-195); EX-A1873; XID00261; BDBM50507492; NSC809970; s8636; AKOS037648883; DB14896; NSC-809970; BAY 2731954; BAY-2731954; (13E,14E,22R,6R)-35-fluoro-6-methyl-7-aza-1(5,3)-pyrazolo[1,5-a]pyrimidina-3(3,2)-pyridina-2(1,2)-pyrrolidinacyclooctaphan-8-one; AC-32662; BS-15941; example 28 [WO2017075107A1]; HY-101977; CS-0022378; A934608; 12H-15,17-Ethenopyrazolo[3,4-d]pyrido[2,3-k]pyrrolo[2,1-m][1,3,7]triazacyclotridecin-12-one, 5-fluoro-1,2,3,3a,8,9,10,11-octahydro-10-methyl-, (3aR,10R)-; Cas registry number 2097002-61-2 ~1~1 C20 H21 F N6 O 10H-5,7-ethenopyrazolo(3,4-d)pyrido(2,3-k)pyrrolo(2,1-m)(1,3,7)triazacyclotridecin-10-one, 17-fluoro-1,2,3,11,12,13,14,18b-octahydro-12-methyl-, (12R,18bR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809970	.	.	.	.	380.4	C20H21FN6O	75.4	593	2	28	1	6	0	"InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1"	C[C@@H]1CCC2=C(C=C(C=N2)F)[C@H]3CCCN3C4=NC5=C(C=NN5C=C4)C(=O)N1	OEBIHOVSAMBXIB-SJKOYZFVSA-N
DG68449	NSC808790	129116690	"(6R)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one; AZD-0364; AZD0364; 2097416-76-5; tizaterkib; UNII-VO9KX45QIQ; VO9KX45QIQ; CHEMBL4482864; (6R)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one; (R)-7-(3,4-difluorobenzyl)-6-(methoxymethyl)-2-(5-methyl-2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)-6,7-dihydroimidazo[1,2-a]pyrazin-8(5H)-one; (6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one; (R)-7-(3,4-Difluorobenzyl)-6-(methoxymethyl)-2-(5-methyl-2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)-6,7-dihydroimidazo(1,2-a)pyrazin-8(5H)-one; SCHEMBL18839079; GTPL11674; ATG-017; AMY14750; AZD 0364; BCP29508; EX-A1812; BDBM50505988; MFCD31631580; NSC808790; s8708; AKOS037648851; AZD0364; AZD 0364; AT10135; AZD0364 pound ATG-017 pound(c); NSC-808790; BA166426; BS-15828; HY-111483; CS-0042190; Q50825500; LHZ"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	808790	.	.	.	.	494.5	C24H24F2N8O2	103	768	2	36	1	9	7	"InChI=1S/C24H24F2N8O2/c1-14-9-27-24(30-20-6-7-28-32(20)2)31-21(14)19-12-33-11-16(13-36-3)34(23(35)22(33)29-19)10-15-4-5-17(25)18(26)8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,27,30,31)/t16-/m1/s1"	CC1=CN=C(N=C1C2=CN3C[C@@H](N(C(=O)C3=N2)CC4=CC(=C(C=C4)F)F)COC)NC5=CC=NN5C	HVIGNZUDBVLTLU-MRXNPFEDSA-N
DG68450	Zotatifin	129138801	"Zotatifin; EFT226; 2098191-53-6; EFT-226; UNII-2EWN8Z05CN; 2EWN8Z05CN; 4-((5aR,6S,7S,8R,8aS)-7-((Dimethylamino)methyl)-8,8a-dihydroxy-1,3-dimethoxy-6-phenyl-6,7,8,8a-tetrahydro-5aH-cyclopenta[4,5]furo[3,2-c]pyridin-5a-yl)benzonitrile; Zotatifin [INN]; 4-((5aR,6S,7S,8R,8aS)-7-((Dimethylamino)methyl)-8,8a-dihydroxy-1,3-dimethoxy-6-phenyl-6,7,8,8a-tetrahydro-5ah-cyclopenta(4,5)furo(3,2-C)pyridin-5a-yl)benzonitrile; Zotatifin [USAN]; Zotatifin (USAN/INN); CHEMBL4303782; SCHEMBL18864788; EX-A4623; BDBM50540861; NSC818001; NSC828584; WHO 10998; NSC-818001; NSC-828584; HY-112163; CS-0043584; D11837; A937238; 4-[(2S,3R,4S,5S,6R)-4-[(dimethylamino)methyl]-2,3-dihydroxy-10,12-dimethoxy-5-phenyl-7-oxa-11-azatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-6-yl]benzonitrile; Benzonitrile, 4-((5aR,6S,7S,8R,8aS)-7-((dimethylamino)methyl)-6,7,8,8a-tetrahydro-8,8a-dihydroxy-1,3-dimethoxy-6-phenyl-5ah-cyclopenta(4,5)furo(3,2-C)pyridin-5a-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	828584	.	.	.	.	487.5	C28H29N3O5	108	819	2.4	36	2	8	6	"InChI=1S/C28H29N3O5/c1-31(2)16-20-23(18-8-6-5-7-9-18)28(19-12-10-17(15-29)11-13-19)27(33,25(20)32)24-21(36-28)14-22(34-3)30-26(24)35-4/h5-14,20,23,25,32-33H,16H2,1-4H3/t20-,23-,25-,27+,28+/m1/s1"	CN(C)C[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(C3=C(N=C(C=C3O2)OC)OC)O)C4=CC=C(C=C4)C#N)C5=CC=CC=C5	QYCXWOACFWMQFO-WZWZCULESA-N
DG68451	"5-Bromo-5'-phenyl-2',4'-dihydrospiro[indoline-3,3'-pyrazol]-2-one"	129885811	"NSC767494; NSC-767494; 5-bromo-5'-phenyl-2',4'-dihydrospiro[indoline-3,3'-pyrazol]-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767494	.	.	.	.	342.19	C16H12BrN3O	53.5	474	3	21	2	3	1	"InChI=1S/C16H12BrN3O/c17-11-6-7-13-12(8-11)16(15(21)18-13)9-14(19-20-16)10-4-2-1-3-5-10/h1-8,20H,9H2,(H,18,21)"	C1C(=NNC12C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4	IUQHKEGJONLANJ-UHFFFAOYSA-N
DG68452	"1,3-Bis(2-naphthylmethyl)-1H-benzoimidazole-3-ium"	129886342	"CHEMBL3991381; NSC788909; NSC-788909; J3.603.289H; 1,3-Bis(2-naphthylmethyl)-1H-benzoimidazole-3-ium; 1665295-72-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788909	.	.	.	.	399.5	C29H23N2+	8.8	539	7.3	31	0	0	4	"InChI=1S/C29H23N2/c1-3-9-26-17-22(13-15-24(26)7-1)19-30-21-31(29-12-6-5-11-28(29)30)20-23-14-16-25-8-2-4-10-27(25)18-23/h1-18,21H,19-20H2/q+1"	C1=CC=C2C=C(C=CC2=C1)CN3C=[N+](C4=CC=CC=C43)CC5=CC6=CC=CC=C6C=C5	CYLDVOCLRMKGOU-UHFFFAOYSA-N
DG68453	(E)-N-[4-(3-chloro-2-fluoroanilino)-7-[2-(difluoromethoxy)ethoxy]quinazolin-6-yl]-4-(dimethylamino)but-2-enamide	130205628	SCHEMBL19100193; NSC785966; NSC-785966; (E)-N-[4-(3-chloro-2-fluoroanilino)-7-[2-(difluoromethoxy)ethoxy]quinazolin-6-yl]-4-(dimethylamino)but-2-enamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785966	.	.	.	.	509.9	C23H23ClF3N5O3	88.6	693	4.4	35	2	10	11	"InChI=1S/C23H23ClF3N5O3/c1-32(2)8-4-7-20(33)30-18-11-14-17(12-19(18)34-9-10-35-23(26)27)28-13-29-22(14)31-16-6-3-5-15(24)21(16)25/h3-7,11-13,23H,8-10H2,1-2H3,(H,30,33)(H,28,29,31)/b7-4+"	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C(=CC=C3)Cl)F)OCCOC(F)F	RPPREQFUNVYPGV-QPJJXVBHSA-N
DG68454	"(E)-N-[4-(3-chloro-2,4-difluoroanilino)-7-[2-(difluoromethoxy)ethoxy]quinazolin-6-yl]-4-(dimethylamino)but-2-enamide"	130205677	"SCHEMBL19100263; NSC785965; NSC-785965; (E)-N-[4-(3-chloro-2,4-difluoroanilino)-7-[2-(difluoromethoxy)ethoxy]quinazolin-6-yl]-4-(dimethylamino)but-2-enamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785965	.	.	.	.	527.9	C23H22ClF4N5O3	88.6	725	4.5	36	2	11	11	"InChI=1S/C23H22ClF4N5O3/c1-33(2)7-3-4-19(34)31-17-10-13-16(11-18(17)35-8-9-36-23(27)28)29-12-30-22(13)32-15-6-5-14(25)20(24)21(15)26/h3-6,10-12,23H,7-9H2,1-2H3,(H,31,34)(H,29,30,32)/b4-3+"	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C(=C(C=C3)F)Cl)F)OCCOC(F)F	NALRSGNHETVHKC-ONEGZZNKSA-N
DG68455	"(E)-N-[4-(3-chloro-2,4-difluoroanilino)-7-[2-(difluoromethoxy)ethoxy]quinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide"	130205802	"SCHEMBL19100423; NSC785967; NSC-785967; (E)-N-[4-(3-chloro-2,4-difluoroanilino)-7-[2-(difluoromethoxy)ethoxy]quinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785967	.	.	.	.	568	C26H26ClF4N5O3	88.6	797	5.3	39	2	11	11	"InChI=1S/C26H26ClF4N5O3/c27-23-17(28)6-7-18(24(23)29)35-25-16-13-20(34-22(37)5-4-10-36-8-2-1-3-9-36)21(14-19(16)32-15-33-25)38-11-12-39-26(30)31/h4-7,13-15,26H,1-3,8-12H2,(H,34,37)(H,32,33,35)/b5-4+"	C1CCN(CC1)C/C=C/C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=C(C=C4)F)Cl)F)OCCOC(F)F	NKGAXPSQXNLIET-SNAWJCMRSA-N
DG68456	"5-(8-Oxo-5-(6-(piperidin-4-yloxy)pyridin-3-yl)-6-thioxo-5,7-diazaspiro[3.4]octan-7-yl)-3-(trifluoromethyl)picolinonitrile"	130229812	"TRC253; 2110426-27-0; 5-(8-oxo-5-(6-(piperidin-4-yloxy)pyridin-3-yl)-6-thioxo-5,7-diazaspiro[3.4]octan-7-yl)-3-(trifluoromethyl)picolinonitrile; JNJ-63576253 (free base); 5-[8-oxo-5-(6-piperidin-4-yloxypyridin-3-yl)-6-sulfanylidene-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile; SCHEMBL19128768; JNJ63576253 HCl; BDBM493530; EX-A1808; NSC831271; AKOS037652172; NSC-831271; US10981926, Cpd No. 43; HY-115282; CS-0034880; 5-[5-oxo-8-[6-(4-piperidyloxy)- 3-pyridyl]-7-thioxo-6,8- diazaspiro[3.4]octan-6-yl]-3- (trifluoromethyl)pyridine-2- carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	831271	.	.	.	.	502.5	C23H21F3N6O2S	127	884	3	35	1	10	4	"InChI=1S/C23H21F3N6O2S/c24-23(25,26)17-10-15(13-29-18(17)11-27)31-20(33)22(6-1-7-22)32(21(31)35)14-2-3-19(30-12-14)34-16-4-8-28-9-5-16/h2-3,10,12-13,16,28H,1,4-9H2"	C1CC2(C1)C(=O)N(C(=S)N2C3=CN=C(C=C3)OC4CCNCC4)C5=CC(=C(N=C5)C#N)C(F)(F)F	OUEHJEYKNYQVRC-UHFFFAOYSA-N
DG68457	Amcenestrant	130232326	"SAR439859; Amcenestrant; 2114339-57-8; SAR-439859; UNII-TBF1NHY02O; TBF1NHY02O; 6-(2,4-dichlorophenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid; 8-(2,4-Dichlorophenyl)-9-[4-[[(3S)-1-(3-fluoropropyl)-3-pyrrolidinyl]oxy]phenyl]-6,7-dihydro-5H-benzocycloheptene-3-carboxylic acid; (S)-8-(2,4-Dichlorophenyl)-9-(4-((1-(3-fluoropropyl)pyrrolidin-3-yl)oxy)phenyl)-6,7-dihydro-5H-benzo[7]annulene-3-carboxylic acid; 6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid; 8-(2,4-Dichlorophenyl)-9-(4-(((3S)-1-(3-fluoropropyl)-3-pyrrolidinyl)oxy)phenyl)-6,7-dihydro-5H-benzocycloheptene-3-carboxylic acid; Amcenestrant [INN]; Amcenestrant [USAN]; CHEMBL4475463; SCHEMBL19131426; US9714221, Example 51; BDBM263716; EX-A4678; NSC827675; s9609; WHO 11312; NSC-827675; HY-133017; CS-0109407; Q66885452; 5H-Benzocycloheptene-3-carboxylic acid, 8-(2,4-dichlorophenyl)-9-(4-(((3S)-1-(3-fluoropropyl)-3-pyrrolidinyl)oxy)phenyl)-6,7-dihydro-; L5B"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	827675	.	.	.	.	554.5	C31H30Cl2FNO3	49.8	832	5.3	38	1	5	8	"InChI=1S/C31H30Cl2FNO3/c32-23-8-12-27(29(33)18-23)28-4-1-3-21-17-22(31(36)37)7-11-26(21)30(28)20-5-9-24(10-6-20)38-25-13-16-35(19-25)15-2-14-34/h5-12,17-18,25H,1-4,13-16,19H2,(H,36,37)/t25-/m0/s1"	C1CC2=C(C=CC(=C2)C(=O)O)C(=C(C1)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)O[C@H]5CCN(C5)CCCF	KISZAGQTIXIVAR-VWLOTQADSA-N
DG68458	NSC783431	130277574	"(1S,2S,4R,7E,11S)-8-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one; CHEMBL4278178; SCHEMBL19183134; NSC783431; NSC-783431"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783431	.	.	.	.	421.5	C24H27N3O4	78.8	747	3	31	0	6	4	"InChI=1S/C24H27N3O4/c1-15-19-11-6-16(5-4-12-24(2)22(31-24)21(19)30-23(15)28)13-27-14-20(25-26-27)17-7-9-18(29-3)10-8-17/h5,7-10,14,19,21-22H,1,4,6,11-13H2,2-3H3/b16-5+/t19-,21-,22-,24+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CN4C=C(N=N4)C5=CC=C(C=C5)OC	VCGDLHPPHXFKLT-GRCRCFNVSA-N
DG68459	"US10844062, Example 154"	130321818	"US10844062, Example 154; SCHEMBL19233318; BDBM473657; NSC810715; NSC-810715"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	810715	.	.	.	.	560.5	C28H20F4N8O	132	973	5	41	3	11	6	"InChI=1S/C28H20F4N8O/c1-27(2,12-33)16-8-15(9-17(10-16)28(30,31)32)26(41)40-21-11-18(5-6-20(21)29)39-24-19(4-3-7-34-24)22-23-25(37-13-35-22)38-14-36-23/h3-11,13-14H,1-2H3,(H,34,39)(H,40,41)(H,35,36,37,38)"	CC(C)(C#N)C1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)NC3=C(C=CC=N3)C4=C5C(=NC=N4)N=CN5)F)C(F)(F)F	IJAHYRRUEXIBTB-UHFFFAOYSA-N
DG68460	"US10844062, Example 33"	130321838	"SCHEMBL19233338; BDBM473597; US10844062, Example 33; NSC791135; NSC-791135"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791135	.	.	.	.	510.5	C27H20F2N8O	132	882	4.2	38	3	9	6	"InChI=1S/C27H20F2N8O/c1-27(2,12-30)16-8-15(9-17(28)10-16)26(38)37-21-11-18(5-6-20(21)29)36-24-19(4-3-7-31-24)22-23-25(34-13-32-22)35-14-33-23/h3-11,13-14H,1-2H3,(H,31,36)(H,37,38)(H,32,33,34,35)"	CC(C)(C#N)C1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)NC3=C(C=CC=N3)C4=C5C(=NC=N4)N=CN5)F)F	NHEUWKUXYSBVSF-UHFFFAOYSA-N
DG68461	"US10844062, Example 65"	130321895	"US10844062, Example 65; SCHEMBL19233403; BDBM473629; NSC791136; NSC-791136"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791136	.	.	.	.	561.4	C25H14F7N7O	109	855	5.3	40	3	13	5	"InChI=1S/C25H14F7N7O/c26-17-4-3-15(38-21-16(2-1-5-33-21)19-20-22(36-10-34-19)37-11-35-20)9-18(17)39-23(40)12-6-13(24(27,28)29)8-14(7-12)25(30,31)32/h1-11H,(H,33,38)(H,39,40)(H,34,35,36,37)"	C1=CC(=C(N=C1)NC2=CC(=C(C=C2)F)NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=C5C(=NC=N4)N=CN5	XFEORFKJWFWIIA-UHFFFAOYSA-N
DG68462	3-(2-cyanopropan-2-yl)-N-[2-fluoro-5-[[3-(7H-purin-6-yl)pyridin-2-yl]amino]phenyl]-5-methylbenzamide	130321938	SCHEMBL19233447; NSC810716; NSC-810716	.	.	Investigative Drug(s)	Investigative	Small molecular drug	810716	.	.	.	.	506.5	C28H23FN8O	132	878	4.5	38	3	8	6	"InChI=1S/C28H23FN8O/c1-16-9-17(11-18(10-16)28(2,3)13-30)27(38)37-22-12-19(6-7-21(22)29)36-25-20(5-4-8-31-25)23-24-26(34-14-32-23)35-15-33-24/h4-12,14-15H,1-3H3,(H,31,36)(H,37,38)(H,32,33,34,35)"	CC1=CC(=CC(=C1)C(C)(C)C#N)C(=O)NC2=C(C=CC(=C2)NC3=C(C=CC=N3)C4=C5C(=NC=N4)N=CN5)F	VALZPVIERIVEMR-UHFFFAOYSA-N
DG68463	Unii-E3T5xxy9HX	131634760	"AZD5991; AZD-5991; UNII-E3T5XXY9HX; AZD-5991 Racemate; 2143010-83-5; 2143061-81-6; E3T5XXY9HX; AZD-5991 (Racemate); 2143061-82-7; 2143061-81-6 (free base); 17-chloro-5,13,14,22-tetramethyl-28-oxa-2,9-dithia-5,6,12,13,22-pentazaheptacyclo[27.7.1.14,7.011,15.016,21.020,24.030,35]octatriaconta-1(36),4(38),6,11,14,16,18,20,23,29(37),30,32,34-tridecaene-23-carboxylic acid; (Z)-16-chloro-11,21,25,61-tetramethyl-11H,21H,61H-10-oxa-4,8-dithia-1(7,3)-indola-2(4,3),6(3,5)-dipyrazola-9(3,1)-naphthalenacyclotridecaphane-12-carboxylic acid; AZD-5991 S-enantiomer; CHEMBL4297482; SCHEMBL19472011; EX-A2673A; GTPL11783; US10196404, Example 1; US10196404, Example 2; US10196404, Example 3; BDBM333146; AZD 5991; BCP23513; BCP30972; BCP30973; EX-A2673; NSC807055; s8643; DB14792; HY-101533A; NSC-807055; AZD-5991; AZD 5991; HY-101533; CS-0021671; CS-0077938; A16880; AZD 5991 S-enantiomer ;AZD5991 S-enantiomer; A937371; AZD5991; AZD-5991; AZD 5991;CAS:2143061-81-6;2143061-82-7; (S)-16-Chloro-11,21,25,61-tetramethyl-11H,21H,61H-10-oxa-4,8-dithia-1(7,3)-indola-2(4,3),6(3,5)-dipyrazola-9(3,1)-naphthalenacyclotridecaphane-12-carboxylic acid; 16-Chloro-11,21,25,61-tetramethyl-11H,21H,61H-10-oxa-4,8-dithia-1(7,3)-indola-2(4,3),6(3,5)-dipyrazola-9(3,1)-naphthalenacyclotridecaphane-12-carboxylic acid; 17-Chloro-5,13,14,22-tetramethyl-28-oxa-2,9-dithia-5,6,12,13,22-pentaazaheptacyclo(27.7.1.14.7.011,15.016,21.020,24.030,35)octatriaconta1(37),4(38),6,11,14,16,18,20,23,31,33,35-tridecaene-23-carboxylic acid; E4W"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	807055	.	.	.	.	672.3	C35H34ClN5O3S2	138	1060	6.8	46	1	7	1	"InChI=1S/C35H34ClN5O3S2/c1-20-31-29(38-40(20)3)19-45-17-22-15-23(41(4)37-22)18-46-24-14-21-8-5-6-9-25(21)30(16-24)44-13-7-10-26-27-11-12-28(36)32(31)33(27)39(2)34(26)35(42)43/h5-6,8-9,11-12,14-16H,7,10,13,17-19H2,1-4H3,(H,42,43)"	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C	KBQCEQAXHPIRTF-UHFFFAOYSA-N
DG68464	CID 131839646	131839646	"CH7057288; 2095616-82-1; CHEMBL4457566; N-(tert-Butyl)-2-((6,6-dimethyl-8-(methylsulfonamido)-11-oxo-6,11-dihydronaphtho[2,3-b]benzofuran-3-yl)ethynyl)-6-methylisonicotinamide; N-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide; BCP33760; EX-A3187; BDBM50525707; NSC812052; s8788; ZB1627; NSC-812052; BC168481; HY-107362; CH 7057288; CH-7057288; CS-0028214; CH-7057288; CH 7057288; N-tert-butyl-2-[2-[8-(methanesulfonamido)-6,6-dimethyl-11-oxonaphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methylpyridine-4-carboxamide; RCH"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812052	.	.	.	.	569.7	C32H31N3O5S	127	1210	5.3	41	2	7	6	"InChI=1S/C32H31N3O5S/c1-18-14-20(30(37)34-31(2,3)4)16-21(33-18)10-8-19-9-12-24-26(15-19)40-29-27(24)28(36)23-13-11-22(35-41(7,38)39)17-25(23)32(29,5)6/h9,11-17,35H,1-7H3,(H,34,37)"	CC1=CC(=CC(=N1)C#CC2=CC3=C(C=C2)C4=C(O3)C(C5=C(C4=O)C=CC(=C5)NS(=O)(=O)C)(C)C)C(=O)NC(C)(C)C	DCGOHGQJHJXBGW-UHFFFAOYSA-N
DG68465	NSC812415	132010322	"N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide; ABBV-744; 2138861-99-9; ABBV 744; ABBV744; UNII-9MX546E2SF; 9MX546E2SF; N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide; N-ethyl-4-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide; N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide; HWV; N-Ethyl-4-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo(2,3-C)pyridine-2-carboxamide; CHEMBL4297454; SCHEMBL19463409; GTPL10730; ABBV 744; ABBV744; BDBM439497; AMY16848; BCP29855; EX-A2713; US10633379, Example 35; US10633379, Example 82; NSC812415; s8723; AKOS037515627; ACN-054460; NSC-812415; NCGC00651745-01; BA166477; BS-16488; HY-112090; CS-0043318; A16831; C74031; 1H-Pyrrolo(2,3-C)pyridine-2-carboxamide, N-ethyl-4-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(1-hydroxy-1-methylethyl)phenyl)-6,7-dihydro-6-methyl-7-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812415	.	.	.	.	491.6	C28H30FN3O4	94.7	852	3.9	36	3	5	6	"InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)"	CCNC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(C)(C)O)OC4=C(C=C(C=C4C)F)C)C	OEDSFMUSNZDJFD-UHFFFAOYSA-N
DG68466	IDO/TDO Inhibitor	132060309	"IACS-8968; 2144425-14-7; IDO/TDO Inhibitor; IACS8968; SCHEMBL19520908; US11096930, Example 5; BDBM514522; NSC811953; NSC-811953; CID 132060309; HY-112164; CS-0043587; 6,6-dimethyl-8-(7- (trifluoromethyl)imidazo[1,5- a]pyridin-5-yl)-1,3,8- triazaspiro[4.5]decane-2,4- dione; 6,6-Dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	811953	.	.	.	.	381.35	C17H18F3N5O2	78.7	655	3.1	27	2	7	1	"InChI=1S/C17H18F3N5O2/c1-15(2)8-24(4-3-16(15)13(26)22-14(27)23-16)12-6-10(17(18,19)20)5-11-7-21-9-25(11)12/h5-7,9H,3-4,8H2,1-2H3,(H2,22,23,26,27)"	CC1(CN(CCC12C(=O)NC(=O)N2)C3=CC(=CC4=CN=CN34)C(F)(F)F)C	UBMTZODMRPHSBC-UHFFFAOYSA-N
DG68467	"N-[2-hydroxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide"	132113940	SCHEMBL19581531; NSC780184; NSC-780184	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780184	.	.	.	.	485.6	C25H27NO7S	112	733	4.6	34	2	8	9	"InChI=1S/C25H27NO7S/c1-16-6-11-19(12-7-16)34(28,29)26-23-18(10-13-20(30-2)24(23)27)9-8-17-14-21(31-3)25(33-5)22(15-17)32-4/h6-15,26-27H,1-5H3/b9-8-"	CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2O)OC)/C=C\\C3=CC(=C(C(=C3)OC)OC)OC	ZBVAZQZIWKBQSC-HJWRWDBZSA-N
DG68468	"4-chloro-N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide"	132113966	SCHEMBL19581557; NSC775011; NSC-775011	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775011	.	.	.	.	520	C25H26ClNO7S	101	754	5.2	35	1	8	10	"InChI=1S/C25H26ClNO7S/c1-30-21-13-16(6-7-17-14-22(31-2)25(34-5)23(15-17)32-3)12-20(24(21)33-4)27-35(28,29)19-10-8-18(26)9-11-19/h6-15,27H,1-5H3/b7-6-"	COC1=CC(=CC(=C1OC)NS(=O)(=O)C2=CC=C(C=C2)Cl)/C=C\\C3=CC(=C(C(=C3)OC)OC)OC	WEKXBYKWEYBEQO-SREVYHEPSA-N
DG68469	"4-fluoro-N-[2-hydroxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide"	132113981	SCHEMBL19581572; NSC780183; NSC-780183	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780183	.	.	.	.	489.5	C24H24FNO7S	112	739	4.3	34	2	9	9	"InChI=1S/C24H24FNO7S/c1-30-19-12-7-16(6-5-15-13-20(31-2)24(33-4)21(14-15)32-3)22(23(19)27)26-34(28,29)18-10-8-17(25)9-11-18/h5-14,26-27H,1-4H3/b6-5-"	COC1=C(C(=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC)NS(=O)(=O)C3=CC=C(C=C3)F)O	JSGQLTBBLBMZMK-WAYWQWQTSA-N
DG68470	"N-[2-hydroxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3,4-dimethoxybenzenesulfonamide"	132114229	SCHEMBL19581870; NSC780182; NSC-780182	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780182	.	.	.	.	531.6	C26H29NO9S	130	805	4.2	37	2	10	11	"InChI=1S/C26H29NO9S/c1-31-19-12-10-18(15-21(19)33-3)37(29,30)27-24-17(9-11-20(32-2)25(24)28)8-7-16-13-22(34-4)26(36-6)23(14-16)35-5/h7-15,27-28H,1-6H3/b8-7-"	COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2O)OC)/C=C\\C3=CC(=C(C(=C3)OC)OC)OC)OC	UZKKILPKTGXAIO-FPLPWBNLSA-N
DG68471	"3-chloro-N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide"	132114389	SCHEMBL19582071; NSC780185; NSC-780185	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780185	.	.	.	.	520	C25H26ClNO7S	101	762	5.2	35	1	8	10	"InChI=1S/C25H26ClNO7S/c1-30-21-12-16(9-10-17-13-22(31-2)25(34-5)23(14-17)32-3)11-20(24(21)33-4)27-35(28,29)19-8-6-7-18(26)15-19/h6-15,27H,1-5H3/b10-9-"	COC1=CC(=CC(=C1OC)NS(=O)(=O)C2=CC(=CC=C2)Cl)/C=C\\C3=CC(=C(C(=C3)OC)OC)OC	YPAYSLGFXJEHDM-KTKRTIGZSA-N
DG68472	NSC801656	132184548	"[(2R,3S,4E,6R,8R,10R,12Z)-2-[(1E,5E,8R)-8-(2-bromo-3-hydroxyphenyl)-8-hydroxy-7,7-dimethylocta-1,5-dien-3-ynyl]-3,6,10-trimethyl-14-oxo-1-oxacyclotetradeca-4,12-dien-8-yl] carbamate; CHEMBL4758810; SCHEMBL19660754; NSC801656; NSC-801656"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801656	.	.	.	.	628.6	C33H42BrNO6	119	1050	7.5	41	3	6	6	"InChI=1S/C33H42BrNO6/c1-22-12-10-16-29(37)41-28(24(3)18-17-23(2)21-25(20-22)40-32(35)39)15-8-6-7-9-19-33(4,5)31(38)26-13-11-14-27(36)30(26)34/h8-11,13-19,22-25,28,31,36,38H,12,20-21H2,1-5H3,(H2,35,39)/b15-8+,16-10-,18-17+,19-9+/t22-,23+,24+,25-,28-,31+/m1/s1"	C[C@@H]1C/C=C\\C(=O)O[C@@H]([C@H](/C=C/[C@@H](C[C@@H](C1)OC(=O)N)C)C)/C=C/C#C/C=C/C(C)(C)[C@H](C2=C(C(=CC=C2)O)Br)O	FNDISSRVLCJOOY-HHMBUIEWSA-N
DG68473	NSC832938	132200405	"(1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol; PRMT5-IN-3; CHEMBL4563402; (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol; 2159123-14-3; (1S,2S,3S,5R)-3-((6-(Difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl)oxy)-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol; ZR1; PF-06939999; SCHEMBL19678994; BDBM50523657; NSC832938; NSC-832938; HY-131493; CS-0135959; PF06939999"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	832938	.	.	.	.	448.4	C22H23F3N4O3	92.4	664	1.7	32	3	9	4	"InChI=1S/C22H23F3N4O3/c1-10-11-3-5-29(22(11)28-9-27-10)15-7-17(20(31)19(15)30)32-16-6-13(21(24)25)18(23)12-2-4-26-8-14(12)16/h3,5-6,9,15,17,19-21,26,30-31H,2,4,7-8H2,1H3/t15-,17+,19+,20-/m1/s1"	CC1=C2C=CN(C2=NC=N1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OC4=C5CNCCC5=C(C(=C4)C(F)F)F	HBGHQRGHFNTSDP-DJABAAGCSA-N
DG68474	Shp2-IN-6	132222602	SHP2-IN-6; SCHEMBL19704279; JAB3068; JAB-3068; NSC827676; NSC-827676; HY-131132; CS-0129188; 2169223-48-5	.	.	Investigative Drug(s)	Investigative	Small molecular drug	827676	.	.	.	.	476.5	C22H26F2N6O2S	136	740	1.2	33	2	10	3	"InChI=1S/C22H26F2N6O2S/c1-13(31)30-11-22(23,24)18-14(30)3-2-4-15(18)33-20-19(26)28-17(9-27-20)29-7-5-21(6-8-29)12-32-10-16(21)25/h2-4,9,16H,5-8,10-12,25H2,1H3,(H2,26,28)/t16-/m1/s1"	CC(=O)N1CC(C2=C1C=CC=C2SC3=NC=C(N=C3N)N4CCC5(CC4)COC[C@H]5N)(F)F	HGYTYZKWKUXRKA-MRXNPFEDSA-N
DG68475	Gskmi-714	132233666	"GSKMI-714; GSK-3484862; 2170136-65-7; (2R)-2-[3,5-dicyano-6-(dimethylamino)-4-ethylpyridin-2-yl]sulfanyl-2-phenylacetamide; SCHEMBL19717424; BDBM491120; US10975056, Example 64; NSC825088; US10975056, Example 308; GSK3484862; NSC-825088; HY-135146; CS-0109599; (R)-2-((3,5-dicyano-6-(dimethylamino)-4-ethylpyridin-2-yl)thio)-2-phenylacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	825088	.	.	.	.	365.5	C19H19N5OS	132	585	3	26	1	6	6	"InChI=1S/C19H19N5OS/c1-4-13-14(10-20)18(24(2)3)23-19(15(13)11-21)26-16(17(22)25)12-8-6-5-7-9-12/h5-9,16H,4H2,1-3H3,(H2,22,25)/t16-/m1/s1"	CCC1=C(C(=NC(=C1C#N)S[C@H](C2=CC=CC=C2)C(=O)N)N(C)C)C#N	KIEQQZZDWUNUQK-MRXNPFEDSA-N
DG68476	"1,3-Bis(2-naphthylmethyl)-4,5-diphenyl-1H-imidazole-3-ium"	132545055	"NSC788913; NSC-788913; J3.600.523H; 1,3-Bis(2-naphthylmethyl)-4,5-diphenyl-1H-imidazole-3-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788913	.	.	.	.	501.6	C37H29N2+	8.8	691	9.2	39	0	0	6	"InChI=1S/C37H29N2/c1-3-13-32(14-4-1)36-37(33-15-5-2-6-16-33)39(26-29-20-22-31-12-8-10-18-35(31)24-29)27-38(36)25-28-19-21-30-11-7-9-17-34(30)23-28/h1-24,27H,25-26H2/q+1"	C1=CC=C(C=C1)C2=C([N+](=CN2CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5)C7=CC=CC=C7	GXMFVWDNDSTJJU-UHFFFAOYSA-N
DG68477	"1,3-Bis(2-naphthylmethyl)-4-methyl-1H-imidazole-3-ium"	132545057	"NSC788910; NSC-788910; J3.600.525D; 1,3-Bis(2-naphthylmethyl)-4-methyl-1H-imidazole-3-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788910	.	.	.	.	363.5	C26H23N2+	8.8	505	6.2	28	0	0	4	"InChI=1S/C26H23N2/c1-20-16-27(17-21-10-12-23-6-2-4-8-25(23)14-21)19-28(20)18-22-11-13-24-7-3-5-9-26(24)15-22/h2-16,19H,17-18H2,1H3/q+1"	CC1=C[N+](=CN1CC2=CC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4	BYLOGTYCZPYBRI-UHFFFAOYSA-N
DG68478	"1,3-Bis(2-naphthylmethyl)-5,6-dimethyl-1H-benzoimidazole-3-ium"	132547208	"CHEMBL3991322; NSC790463; NSC-790463; J3.603.281B; 1,3-Bis(2-naphthylmethyl)-5,6-dimethyl-1H-benzoimidazole-3-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790463	.	.	.	.	427.6	C31H27N2+	8.8	593	8	33	0	0	4	"InChI=1S/C31H27N2/c1-22-15-30-31(16-23(22)2)33(20-25-12-14-27-8-4-6-10-29(27)18-25)21-32(30)19-24-11-13-26-7-3-5-9-28(26)17-24/h3-18,21H,19-20H2,1-2H3/q+1"	CC1=CC2=C(C=C1C)[N+](=CN2CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5	MCFPTOIOYVREMS-UHFFFAOYSA-N
DG68479	"1,3-Bis(2-naphthylmethyl)-2-(3-oxo-3-methoxypropyl)-1H-benzoimidazole-3-ium"	132547209	"CHEMBL3991419; NSC791486; NSC-791486; J3.603.283I; 1,3-Bis(2-naphthylmethyl)-2-(3-oxo-3-methoxypropyl)-1H-benzoimidazole-3-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791486	.	.	.	.	485.6	C33H29N2O2+	35.1	705	7.4	37	0	2	8	"InChI=1S/C33H29N2O2/c1-37-33(36)19-18-32-34(22-24-14-16-26-8-2-4-10-28(26)20-24)30-12-6-7-13-31(30)35(32)23-25-15-17-27-9-3-5-11-29(27)21-25/h2-17,20-21H,18-19,22-23H2,1H3/q+1"	COC(=O)CCC1=[N+](C2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5	VTUGEUWYJGUNDL-UHFFFAOYSA-N
DG68480	"1,3-Bis(2-naphthylmethyl)-2-methyl-1H-benzoimidazole-3-ium"	132547210	"CHEMBL3990103; NSC790464; NSC-790464; J3.603.285E; 1,3-Bis(2-naphthylmethyl)-2-methyl-1H-benzoimidazole-3-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790464	.	.	.	.	413.5	C30H25N2+	8.8	566	7.7	32	0	0	4	"InChI=1S/C30H25N2/c1-22-31(20-23-14-16-25-8-2-4-10-27(25)18-23)29-12-6-7-13-30(29)32(22)21-24-15-17-26-9-3-5-11-28(26)19-24/h2-19H,20-21H2,1H3/q+1"	CC1=[N+](C2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5	YKUJXVDTZOENMP-UHFFFAOYSA-N
DG68481	"1,3-Bis(2-naphthylmethyl)-2-propyl-1H-benzoimidazole-3-ium"	132547212	"CHEMBL3990299; NSC791107; NSC-791107; J3.603.291J; 1,3-Bis(2-naphthylmethyl)-2-propyl-1H-benzoimidazole-3-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791107	.	.	.	.	441.6	C32H29N2+	8.8	595	8.4	34	0	0	6	"InChI=1S/C32H29N2/c1-2-9-32-33(22-24-16-18-26-10-3-5-12-28(26)20-24)30-14-7-8-15-31(30)34(32)23-25-17-19-27-11-4-6-13-29(27)21-25/h3-8,10-21H,2,9,22-23H2,1H3/q+1"	CCCC1=[N+](C2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5	AHNZERGAAJZMNG-UHFFFAOYSA-N
DG68482	1-(2-Quinolinylmethyl)-2-[2-(2-methoxyethoxy)ethoxymethyl]-3-(2-naphthylmethyl)-1H-benzoimidazole-3-ium	132547213	CHEMBL3990408; NSC791106; NSC-791106; J3.603.293F; 1-(2-Quinolinylmethyl)-2-[2-(2-methoxyethoxy)ethoxymethyl]-3-(2-naphthylmethyl)-1H-benzoimidazole-3-ium	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791106	.	.	.	.	532.7	C34H34N3O3+	49.4	754	5.7	40	0	4	12	"InChI=1S/C34H34N3O3/c1-38-18-19-39-20-21-40-25-34-36(23-26-14-15-27-8-2-3-10-29(27)22-26)32-12-6-7-13-33(32)37(34)24-30-17-16-28-9-4-5-11-31(28)35-30/h2-17,22H,18-21,23-25H2,1H3/q+1"	COCCOCCOCC1=[N+](C2=CC=CC=C2N1CC3=NC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5	QDUXPUPOBLWAQP-UHFFFAOYSA-N
DG68483	"1,3-Bis(2-naphthylmethyl)-2-heptyl-1H-benzoimidazole-3-ium"	132547215	"CHEMBL3991264; NSC791485; NSC-791485; J3.603.297I; 1,3-Bis(2-naphthylmethyl)-2-heptyl-1H-benzoimidazole-3-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791485	.	.	.	.	497.7	C36H37N2+	8.8	654	10.6	38	0	0	10	"InChI=1S/C36H37N2/c1-2-3-4-5-6-19-36-37(26-28-20-22-30-13-7-9-15-32(30)24-28)34-17-11-12-18-35(34)38(36)27-29-21-23-31-14-8-10-16-33(31)25-29/h7-18,20-25H,2-6,19,26-27H2,1H3/q+1"	CCCCCCCC1=[N+](C2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5	AWOCFPAYOOPFCU-UHFFFAOYSA-N
DG68484	"1,3-Bis(2-quinolinylmethyl)-5,6-dimethyl-1H-benzoimidazole-3-ium"	132547216	"CHEMBL3991145; NSC790466; NSC-790466; J3.603.299E; 1,3-Bis(2-quinolinylmethyl)-5,6-dimethyl-1H-benzoimidazole-3-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790466	.	.	.	.	429.5	C29H25N4+	34.6	600	6.1	33	0	2	4	"InChI=1S/C29H25N4/c1-20-15-28-29(16-21(20)2)33(18-25-14-12-23-8-4-6-10-27(23)31-25)19-32(28)17-24-13-11-22-7-3-5-9-26(22)30-24/h3-16,19H,17-18H2,1-2H3/q+1"	CC1=CC2=C(C=C1C)[N+](=CN2CC3=NC4=CC=CC=C4C=C3)CC5=NC6=CC=CC=C6C=C5	ADUCMDGDMBGGIC-UHFFFAOYSA-N
DG68485	"1,3-Bis(2-naphthylmethyl)-2-[2-(2-methoxyethoxy)ethoxymethyl]-1H-benzoimidazole-3-ium"	132547217	"CHEMBL3990918; NSC791489; NSC-791489; J3.603.301K; 1,3-Bis(2-naphthylmethyl)-2-[2-(2-methoxyethoxy)ethoxymethyl]-1H-benzoimidazole-3-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791489	.	.	.	.	531.7	C35H35N2O3+	36.5	698	6.7	40	0	3	12	"InChI=1S/C35H35N2O3/c1-38-18-19-39-20-21-40-26-35-36(24-27-14-16-29-8-2-4-10-31(29)22-27)33-12-6-7-13-34(33)37(35)25-28-15-17-30-9-3-5-11-32(30)23-28/h2-17,22-23H,18-21,24-26H2,1H3/q+1"	COCCOCCOCC1=[N+](C2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5	KCPPBASHHGWPGO-UHFFFAOYSA-N
DG68486	"4-Chloro-6,11-dimethyl-6,11-dihydro-5H-pyrimido[4,5-b][1]benzoazepine"	132917070	"NSC782533; NSC-782533; J3.506.321H; 4-Chloro-6,11-dimethyl-6,11-dihydro-5H-pyrimido[4,5-b][1]benzoazepine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782533	.	.	.	.	259.73	C14H14ClN3	29	299	3.8	18	0	3	0	"InChI=1S/C14H14ClN3/c1-9-7-11-13(15)16-8-17-14(11)18(2)12-6-4-3-5-10(9)12/h3-6,8-9H,7H2,1-2H3"	CC1CC2=C(N=CN=C2Cl)N(C3=CC=CC=C13)C	LPHPJTDOJIUSTN-UHFFFAOYSA-N
DG68487	"13-Anilino-3-methyl-3,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide"	134131600	CHEMBL3889550; NSC776751; NSC-776751	.	.	Investigative Drug(s)	Investigative	Small molecular drug	776751	.	.	.	.	333.4	C19H19N5O	85.8	480	2.6	25	2	4	3	"InChI=1S/C19H19N5O/c1-24-15(18(20)25)10-12-6-5-7-13-11-21-19(23-16(13)17(12)24)22-14-8-3-2-4-9-14/h2-4,8-11H,5-7H2,1H3,(H2,20,25)(H,21,22,23)"	CN1C(=CC2=C1C3=NC(=NC=C3CCC2)NC4=CC=CC=C4)C(=O)N	MFSHBVNNUTURFV-UHFFFAOYSA-N
DG68488	2-[[2-Butyl-3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]methyl]quinoline	134138143	CHEMBL3990790; NSC793139; NSC-793139	.	.	Investigative Drug(s)	Investigative	Small molecular drug	793139	.	.	.	.	406.5	C28H28N3+	21.7	550	6.6	31	0	1	7	"InChI=1S/C28H28N3/c1-2-3-12-28-30(20-22-13-14-23-8-4-5-10-25(23)19-22)17-18-31(28)21-26-16-15-24-9-6-7-11-27(24)29-26/h4-11,13-19H,2-3,12,20-21H2,1H3/q+1"	CCCCC1=[N+](C=CN1CC2=NC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4	PQLHHKVGDWJIPA-UHFFFAOYSA-N
DG68489	"3-(4-Methoxyphenyl)-6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one"	134140548	CHEMBL3929211; BDBM50196295; NSC764496; NSC-764496	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764496	.	.	.	.	478.6	C26H26N2O5S	94.9	699	5.1	34	0	7	8	"InChI=1S/C26H26N2O5S/c1-16-6-11-21-20(12-16)25(29)28(18-7-9-19(30-2)10-8-18)26(27-21)34-15-17-13-22(31-3)24(33-5)23(14-17)32-4/h6-14H,15H2,1-5H3"	CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=C(C=C3)OC)SCC4=CC(=C(C(=C4)OC)OC)OC	GRMTVFCOBIDABP-UHFFFAOYSA-N
DG68490	"6-Chloro-5-(2-imidazol-1-ylethyl)-1,3-dihydroindol-2-one"	134140653	CHEMBL3929050; NSC762887; NSC-762887	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762887	.	.	.	.	261.7	C13H12ClN3O	46.9	325	1.4	18	1	2	3	"InChI=1S/C13H12ClN3O/c14-11-7-12-10(6-13(18)16-12)5-9(11)1-3-17-4-2-15-8-17/h2,4-5,7-8H,1,3,6H2,(H,16,18)"	C1C2=CC(=C(C=C2NC1=O)Cl)CCN3C=CN=C3	UDWUEJXOTFSYOQ-UHFFFAOYSA-N
DG68491	"6-Methyl-3-phenyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one"	134141634	CHEMBL3928151; BDBM50196308; NSC764490; NSC-764490	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764490	.	.	.	.	448.5	C25H24N2O4S	85.7	654	5.1	32	0	6	7	"InChI=1S/C25H24N2O4S/c1-16-10-11-20-19(12-16)24(28)27(18-8-6-5-7-9-18)25(26-20)32-15-17-13-21(29-2)23(31-4)22(14-17)30-3/h5-14H,15H2,1-4H3"	CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3)SCC4=CC(=C(C(=C4)OC)OC)OC	OXDZAQXWEQOVBD-UHFFFAOYSA-N
DG68492	"6-Chloro-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-dihydroindol-2-one"	134141691	CHEMBL3926777; NSC762888; NSC-762888	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762888	.	.	.	.	262.69	C12H11ClN4O	59.8	327	1.4	18	1	3	3	"InChI=1S/C12H11ClN4O/c13-10-5-11-9(4-12(18)16-11)3-8(10)1-2-17-7-14-6-15-17/h3,5-7H,1-2,4H2,(H,16,18)"	C1C2=CC(=C(C=C2NC1=O)Cl)CCN3C=NC=N3	LMOJFGDZJFEWEA-UHFFFAOYSA-N
DG68493	"1,3-Bis(naphthalen-2-ylmethyl)-2-phenylimidazol-1-ium"	134143455	CHEMBL3990645; NSC790461; NSC-790461	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790461	.	.	.	.	425.5	C31H25N2+	8.8	568	7.5	33	0	0	5	"InChI=1S/C31H25N2/c1-2-10-28(11-3-1)31-32(22-24-14-16-26-8-4-6-12-29(26)20-24)18-19-33(31)23-25-15-17-27-9-5-7-13-30(27)21-25/h1-21H,22-23H2/q+1"	C1=CC=C(C=C1)C2=[N+](C=CN2CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5	WHLQLQBRQRQXMO-UHFFFAOYSA-N
DG68494	"6-Chloro-3-(2-methoxyphenyl)-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one"	134147155	CHEMBL3946592; BDBM50196279; NSC764232; NSC-764232	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764232	.	.	.	.	499	C25H23ClN2O5S	94.9	713	5.4	34	0	7	8	"InChI=1S/C25H23ClN2O5S/c1-30-20-8-6-5-7-19(20)28-24(29)17-13-16(26)9-10-18(17)27-25(28)34-14-15-11-21(31-2)23(33-4)22(12-15)32-3/h5-13H,14H2,1-4H3"	COC1=CC=CC=C1N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC4=CC(=C(C(=C4)OC)OC)OC	DUJBUCBNOHHZLF-UHFFFAOYSA-N
DG68495	2-[[2-Methyl-3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]methyl]quinoline	134147192	CHEMBL3990736; NSC791102; NSC-791102	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791102	.	.	.	.	364.5	C25H22N3+	21.7	508	5.3	28	0	1	4	"InChI=1S/C25H22N3/c1-19-27(17-20-10-11-21-6-2-3-8-23(21)16-20)14-15-28(19)18-24-13-12-22-7-4-5-9-25(22)26-24/h2-16H,17-18H2,1H3/q+1"	CC1=[N+](C=CN1CC2=NC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4	LPTGLEKMPDFNEX-UHFFFAOYSA-N
DG68496	"3-Benzyl-6-chloro-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one"	134147260	CHEMBL3947164; BDBM50196320; NSC764492; NSC-764492	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764492	.	.	.	.	483	C25H23ClN2O4S	85.7	675	5.3	33	0	6	8	"InChI=1S/C25H23ClN2O4S/c1-30-21-11-17(12-22(31-2)23(21)32-3)15-33-25-27-20-10-9-18(26)13-19(20)24(29)28(25)14-16-7-5-4-6-8-16/h4-13H,14-15H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC4=CC=CC=C4	QJAIETSYFSRODY-UHFFFAOYSA-N
DG68497	"3-(2,4-Dimethoxyphenyl)-6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one"	134148830	CHEMBL3938255; BDBM50196321; NSC764230; NSC-764230	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764230	.	.	.	.	508.6	C27H28N2O6S	104	755	5.1	36	0	8	9	"InChI=1S/C27H28N2O6S/c1-16-7-9-20-19(11-16)26(30)29(21-10-8-18(31-2)14-22(21)32-3)27(28-20)36-15-17-12-23(33-4)25(35-6)24(13-17)34-5/h7-14H,15H2,1-6H3"	CC1=CC2=C(C=C1)N=C(N(C2=O)C3=C(C=C(C=C3)OC)OC)SCC4=CC(=C(C(=C4)OC)OC)OC	QURBHNYJXRPMES-UHFFFAOYSA-N
DG68498	"2-(2-Methoxyethyl)-1,3-bis(naphthalen-2-ylmethyl)benzimidazol-3-ium"	134149334	CHEMBL3990785; NSC791484; NSC-791484	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791484	.	.	.	.	457.6	C32H29N2O+	18	616	7.4	35	0	1	7	"InChI=1S/C32H29N2O/c1-35-19-18-32-33(22-24-14-16-26-8-2-4-10-28(26)20-24)30-12-6-7-13-31(30)34(32)23-25-15-17-27-9-3-5-11-29(27)21-25/h2-17,20-21H,18-19,22-23H2,1H3/q+1"	COCCC1=[N+](C2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5	MNGUVGHQNWBVSC-UHFFFAOYSA-N
DG68499	"3-Benzyl-6,7-dimethoxy-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one"	134150511	CHEMBL3967941; BDBM50196318; NSC764494; NSC-764494	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764494	.	.	.	.	508.6	C27H28N2O6S	104	734	4.7	36	0	8	10	"InChI=1S/C27H28N2O6S/c1-31-21-13-19-20(14-22(21)32-2)28-27(29(26(19)30)15-17-9-7-6-8-10-17)36-16-18-11-23(33-3)25(35-5)24(12-18)34-4/h6-14H,15-16H2,1-5H3"	COC1=CC(=CC(=C1OC)OC)CSC2=NC3=CC(=C(C=C3C(=O)N2CC4=CC=CC=C4)OC)OC	OSUKXDXDUVHKTJ-UHFFFAOYSA-N
DG68500	2-[[3-(Quinolin-2-ylmethyl)benzimidazol-1-ium-1-yl]methyl]quinoline	134150622	CHEMBL3990372; NSC790465; NSC-790465	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790465	.	.	.	.	401.5	C27H21N4+	34.6	546	5.4	31	0	2	4	"InChI=1S/C27H21N4/c1-3-9-24-20(7-1)13-15-22(28-24)17-30-19-31(27-12-6-5-11-26(27)30)18-23-16-14-21-8-2-4-10-25(21)29-23/h1-16,19H,17-18H2/q+1"	C1=CC=C2C(=C1)C=CC(=N2)CN3C=[N+](C4=CC=CC=C43)CC5=NC6=CC=CC=C6C=C5	KKXUBTVCAAWSFC-UHFFFAOYSA-N
DG68501	"3-[1,3-Bis(naphthalen-2-ylmethyl)benzimidazol-3-ium-2-yl]propan-1-ol"	134151781	CHEMBL3990371; NSC790462; NSC-790462	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790462	.	.	.	.	457.6	C32H29N2O+	29	616	7.2	35	1	1	7	"InChI=1S/C32H29N2O/c35-19-7-14-32-33(22-24-15-17-26-8-1-3-10-28(26)20-24)30-12-5-6-13-31(30)34(32)23-25-16-18-27-9-2-4-11-29(27)21-25/h1-6,8-13,15-18,20-21,35H,7,14,19,22-23H2/q+1"	C1=CC=C2C=C(C=CC2=C1)CN3C4=CC=CC=C4[N+](=C3CCCO)CC5=CC6=CC=CC=C6C=C5	FCDCTEIUYSGPEH-UHFFFAOYSA-N
DG68502	"N-(2-aminoethyl)-3-[(3,5-ditert-butylbenzoyl)amino]naphthalene-2-carboxamide"	134151794	CHEMBL3991240; NSC783191; NSC-783191	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783191	.	.	.	.	445.6	C28H35N3O2	84.2	656	6.2	33	3	3	7	"InChI=1S/C28H35N3O2/c1-27(2,3)21-13-20(14-22(17-21)28(4,5)6)25(32)31-24-16-19-10-8-7-9-18(19)15-23(24)26(33)30-12-11-29/h7-10,13-17H,11-12,29H2,1-6H3,(H,30,33)(H,31,32)"	CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=CC3=CC=CC=C3C=C2C(=O)NCCN)C(C)(C)C	SNTBMUDEPYEWBA-UHFFFAOYSA-N
DG68503	"3-Benzyl-6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one"	134151852	CHEMBL3976463; BDBM50196303; NSC764493; NSC-764493	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764493	.	.	.	.	462.6	C26H26N2O4S	85.7	669	5.1	33	0	6	8	"InChI=1S/C26H26N2O4S/c1-17-10-11-21-20(12-17)25(29)28(15-18-8-6-5-7-9-18)26(27-21)33-16-19-13-22(30-2)24(32-4)23(14-19)31-3/h5-14H,15-16H2,1-4H3"	CC1=CC2=C(C=C1)N=C(N(C2=O)CC3=CC=CC=C3)SCC4=CC(=C(C(=C4)OC)OC)OC	AGKNXKOPENBUQA-UHFFFAOYSA-N
DG68504	2-[[2-Ethyl-3-(quinolin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]quinoline	134153076	CHEMBL3991334; NSC788912; NSC-788912	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788912	.	.	.	.	379.5	C25H23N4+	34.6	481	4.8	29	0	2	5	"InChI=1S/C25H23N4/c1-2-25-28(17-21-13-11-19-7-3-5-9-23(19)26-21)15-16-29(25)18-22-14-12-20-8-4-6-10-24(20)27-22/h3-16H,2,17-18H2,1H3/q+1"	CCC1=[N+](C=CN1CC2=NC3=CC=CC=C3C=C2)CC4=NC5=CC=CC=C5C=C4	MCQKTXLSLSIFBP-UHFFFAOYSA-N
DG68505	2-[[2-Phenyl-3-(quinolin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]quinoline	134153837	CHEMBL3990924; NSC793140; NSC-793140	.	.	Investigative Drug(s)	Investigative	Small molecular drug	793140	.	.	.	.	427.5	C29H23N4+	34.6	575	5.6	33	0	2	5	"InChI=1S/C29H23N4/c1-2-10-24(11-3-1)29-32(20-25-16-14-22-8-4-6-12-27(22)30-25)18-19-33(29)21-26-17-15-23-9-5-7-13-28(23)31-26/h1-19H,20-21H2/q+1"	C1=CC=C(C=C1)C2=[N+](C=CN2CC3=NC4=CC=CC=C4C=C3)CC5=NC6=CC=CC=C6C=C5	XDAGBXFNPKROFC-UHFFFAOYSA-N
DG68506	2-[[3-(Naphthalen-2-ylmethyl)-2-phenylimidazol-3-ium-1-yl]methyl]quinoline	134155119	CHEMBL3991195; NSC793141; NSC-793141	.	.	Investigative Drug(s)	Investigative	Small molecular drug	793141	.	.	.	.	426.5	C30H24N3+	21.7	616	6.5	33	0	1	5	"InChI=1S/C30H24N3/c1-2-10-26(11-3-1)30-32(21-23-14-15-24-8-4-5-12-27(24)20-23)18-19-33(30)22-28-17-16-25-9-6-7-13-29(25)31-28/h1-20H,21-22H2/q+1"	C1=CC=C(C=C1)C2=[N+](C=CN2CC3=NC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5	IPALUFMJIYWTLT-UHFFFAOYSA-N
DG68507	2-[[2-[2-(2-Methoxyethoxy)ethoxymethyl]-3-(quinolin-2-ylmethyl)benzimidazol-1-ium-1-yl]methyl]quinoline	134155123	CHEMBL3990132; NSC791492; NSC-791492	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791492	.	.	.	.	533.6	C33H33N4O3+	62.3	705	4.8	40	0	5	12	"InChI=1S/C33H33N4O3/c1-38-18-19-39-20-21-40-24-33-36(22-27-16-14-25-8-2-4-10-29(25)34-27)31-12-6-7-13-32(31)37(33)23-28-17-15-26-9-3-5-11-30(26)35-28/h2-17H,18-24H2,1H3/q+1"	COCCOCCOCC1=[N+](C2=CC=CC=C2N1CC3=NC4=CC=CC=C4C=C3)CC5=NC6=CC=CC=C6C=C5	WUGCZOYITNTCTJ-UHFFFAOYSA-N
DG68508	"Methyl 1,3-bis(naphthalen-2-ylmethyl)benzimidazol-1-ium-5-carboxylate"	134155213	CHEMBL3990298; NSC791488; NSC-791488	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791488	.	.	.	.	457.5	C31H25N2O2+	35.1	727	7.1	35	0	2	6	"InChI=1S/C31H25N2O2/c1-35-31(34)28-14-15-29-30(18-28)33(20-23-11-13-25-7-3-5-9-27(25)17-23)21-32(29)19-22-10-12-24-6-2-4-8-26(24)16-22/h2-18,21H,19-20H2,1H3/q+1"	COC(=O)C1=CC2=C(C=C1)[N+](=CN2CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5	DHMORDPEUAVKCJ-UHFFFAOYSA-N
DG68509	2-[[2-Propyl-3-(quinolin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]quinoline	134157006	CHEMBL3990374; NSC791100; NSC-791100	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791100	.	.	.	.	393.5	C26H25N4+	34.6	495	5.1	30	0	2	6	"InChI=1S/C26H25N4/c1-2-7-26-29(18-22-14-12-20-8-3-5-10-24(20)27-22)16-17-30(26)19-23-15-13-21-9-4-6-11-25(21)28-23/h3-6,8-17H,2,7,18-19H2,1H3/q+1"	CCCC1=[N+](C=CN1CC2=NC3=CC=CC=C3C=C2)CC4=NC5=CC=CC=C5C=C4	ZSHVLUOIFQFDFI-UHFFFAOYSA-N
DG68510	2-[[3-(Naphthalen-2-ylmethyl)-2-propylimidazol-3-ium-1-yl]methyl]quinoline	134157887	CHEMBL3990923; NSC791103; NSC-791103	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791103	.	.	.	.	392.5	C27H26N3+	21.7	536	6.1	30	0	1	6	"InChI=1S/C27H26N3/c1-2-7-27-29(19-21-12-13-22-8-3-4-10-24(22)18-21)16-17-30(27)20-25-15-14-23-9-5-6-11-26(23)28-25/h3-6,8-18H,2,7,19-20H2,1H3/q+1"	CCCC1=[N+](C=CN1CC2=NC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4	DSXYLZRGZZTCDL-UHFFFAOYSA-N
DG68511	"(E)-3-(4-fluorophenyl)-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide"	134197472	SCHEMBL19801005; NSC761139; NSC-761139	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761139	.	.	.	.	463.5	C27H26FNO5	66	664	5.4	34	1	6	9	"InChI=1S/C27H26FNO5/c1-31-23-13-9-19(5-6-20-16-24(32-2)27(34-4)25(17-20)33-3)15-22(23)29-26(30)14-10-18-7-11-21(28)12-8-18/h5-17H,1-4H3,(H,29,30)/b6-5+,14-10+"	COC1=C(C=C(C=C1)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)/C=C/C3=CC=C(C=C3)F	XZPPUJHSLYKZJF-FNYRDHLYSA-N
DG68512	Ebvaciclib	134247638	"PF-06873600; 2185857-97-8; Ebvaciclib; UNII-3B512HJD65; 3B512HJD65; PF06873600; 6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one; 6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one; 6-(Difluoromethyl)-8-((1R,2R)-2-hydroxy-2-methylcyclopentyl)-2-((1-(methylsulfonyl)piperidin-4-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one; 6-(difluoromethyl)-8-((1R,2R)-2-hydroxy-2-methylcyclopentyl)-2-((1-(methylsulfonyl)piperidin-4-yl)amino}pyrido(2,3-d)pyrimidin-7(8H)-one; Ebvaciclib [USAN]; CHEMBL4446357; SCHEMBL19857421; GTPL10426; BDBM370121; EX-A3695; US10233188, Example 10; MFCD31807623; NSC812927; WHO 11513; NSC-812927; example 10 [WO2018033815]; AS-79802; HY-114177; CS-0078633; A16875; Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-(difluoromethyl)-8-((1R,2R)-2-hydroxy-2-; WG1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812927	.	.	.	.	471.5	C20H27F2N5O4S	124	859	1.4	32	2	10	5	"InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1"	C[C@]1(CCC[C@H]1N2C3=NC(=NC=C3C=C(C2=O)C(F)F)NC4CCN(CC4)S(=O)(=O)C)O	QIEKHLDZKRQLLN-FOIQADDNSA-N
DG68513	NSC802538	134276772	5-[2-(3-amino-6-fluoroisoquinolin-4-yl)ethynyl]-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide; SCHEMBL19891284; NSC802538; NSC-802538; 5-[2-(3-amino-6-fluoroisoquinolin-4-yl)ethynyl]-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	802538	.	.	.	.	576.6	C31H28F4N6O	87.4	991	4.6	42	2	10	6	"InChI=1S/C31H28F4N6O/c1-19-20(5-8-26-27-14-24(32)6-3-21(27)16-38-29(26)36)13-23(17-37-19)30(42)39-25-7-4-22(28(15-25)31(33,34)35)18-41-11-9-40(2)10-12-41/h3-4,6-7,13-17H,9-12,18H2,1-2H3,(H2,36,38)(H,39,42)"	CC1=C(C=C(C=N1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=C5C=C(C=CC5=CN=C4N)F	NLTPJGABPAYONH-UHFFFAOYSA-N
DG68514	NSC801420	134276859	"5-[2-(8-amino-1,7-naphthyridin-5-yl)ethynyl]-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide; SCHEMBL19891371; NSC801420; NSC-801420; 5-[2-(8-amino-1,7-naphthyridin-5-yl)ethynyl]-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801420	.	.	.	.	559.6	C30H28F3N7O	100	959	3.5	41	2	10	6	"InChI=1S/C30H28F3N7O/c1-19-20(5-6-21-16-37-28(34)27-25(21)4-3-9-35-27)14-23(17-36-19)29(41)38-24-8-7-22(26(15-24)30(31,32)33)18-40-12-10-39(2)11-13-40/h3-4,7-9,14-17H,10-13,18H2,1-2H3,(H2,34,37)(H,38,41)"	CC1=C(C=C(C=N1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C(C5=C4C=CC=N5)N	UAFBNXYIUVXCJM-UHFFFAOYSA-N
DG68515	NSC819558	134326084	"2-[(2S)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile; 2206736-04-9; MRTX-1257; MRTX1257; CHEMBL4632935; 2-[(2S)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile; (2S)-1-(1-Oxo-2-propen-1-yl)-4-[5,6,7,8-tetrahydro-7-(8-methyl-1-naphthalenyl)-2-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]pyrido[3,4-d]pyrimidin-4-yl]-2-piperazineacetonitrile; SCHEMBL19948108; 2-((S)-1-Acryloyl-4-(7-(8-methylnaphthalen-1-yl)-2-(((S)-1-methylpyrrolidin-2-yl)methoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperazin-2-yl)acetonitrile; BCP30448; EX-A3343; MRTX1257;MRTX 1257; BDBM50539762; NSC819558; NSC-819558; HY-114436; CS-0085392; P20699; 2-[(2S)-4-[7-(8-METHYL-1-NAPHTHYL)-2-[[(2S)-1-METHYLPYRROLIDIN-2-YL]METHOXY]-6,8-DIHYDRO-5H-PYRIDO[3,4-D]PYRIMIDIN-4-YL]-1-PROP-2-ENOYL-PIPERAZIN-2-YL]ACETONITRILE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	819558	.	.	.	.	565.7	C33H39N7O2	88.8	1000	4.5	42	0	8	7	"InChI=1S/C33H39N7O2/c1-4-30(41)40-19-18-39(20-25(40)13-15-34)32-27-14-17-38(29-12-6-10-24-9-5-8-23(2)31(24)29)21-28(27)35-33(36-32)42-22-26-11-7-16-37(26)3/h4-6,8-10,12,25-26H,1,7,11,13-14,16-22H2,2-3H3/t25-,26-/m0/s1"	CC1=C2C(=CC=C1)C=CC=C2N3CCC4=C(C3)N=C(N=C4N5CCN([C@H](C5)CC#N)C(=O)C=C)OC[C@@H]6CCCN6C	YRYQLVCTQFBRLD-UIOOFZCWSA-N
DG68517	Unii-jup57A8epz	134453496	"Camizestrant; UNII-JUP57A8EPZ; AZD-9833; AZD9833; 2222844-89-3; JUP57A8EPZ; AZ14066724; N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]pyridin-3-amine; Camizestrant [USAN]; CHEMBL4650365; SCHEMBL20089710; EX-A5025; NSC828717; WHO 11592; AT22885; NSC-828717; HY-136255; CS-0121043; AZ-14066724; 3-Pyridinamine, N-(1-(3-fluoropropyl)-3-azetidinyl)-6-((6S,8R)-6,7,8,9-tetrahydro-8-methyl-7-(2,2,2-trifluoroethyl)-3H-pyrazolo(4,3-F)isoquinolin-6-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	828717	.	.	.	.	476.5	C24H28F4N6	60.1	674	4.2	34	2	9	7	"InChI=1S/C24H28F4N6/c1-15-9-19-18(4-6-21-20(19)11-30-32-21)23(34(15)14-24(26,27)28)22-5-3-16(10-29-22)31-17-12-33(13-17)8-2-7-25/h3-6,10-11,15,17,23,31H,2,7-9,12-14H2,1H3,(H,30,32)/t15-,23+/m1/s1"	C[C@@H]1CC2=C(C=CC3=C2C=NN3)[C@H](N1CC(F)(F)F)C4=NC=C(C=C4)NC5CN(C5)CCCF	WDHOIABIERMLGY-CMJOXMDJSA-N
DG68518	Inobrodib	134457551	"CCS-1477; 2222941-37-7; Inobrodib; UNII-BW5QA5GEW7; BW5QA5GEW7; CBP-IN-1; CCS1477; (S)-1-(3,4-Difluorophenyl)-6-(5-(3,5-dimethylisoxazol-4-yl)-1-((1r,4S)-4-methoxycyclohexyl)-1H-benzo[d]imidazol-2-yl)piperidin-2-one; (S)-1-(3,4-Difluorophenyl)-6-(5-(3,5-dimethylisoxazol-4-yl)-1-(trans-4-methoxycyclohexyl)-1H-benzo[d]imidazol-2-yl)piperidin-2-one; Inobrodib [INN]; (S)-1-(3,4-Difluorophenyl)-6-(5-(3,5-dimethylisoxazol-4-yl)-1-((1R,4S)-4-methoxycyclohexyl)-1H-benzo(d)imidazol-2-yl)piperidin-2-one; CHEMBL4785363; SCHEMBL20094038; SCHEMBL21515367; SCHEMBL22134021; SCHEMBL23433835; EX-A3687; NSC818619; s9667; CCS-1477 (CBP-IN-1); NSC-818619; P300/cbp bromodomain inhibitor CCS1477; HY-111784; CS-0091862; A930140; (6S)-1-(3,4-difluorophenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one; 2-Piperidinone, 1-(3,4-difluorophenyl)-6-(5-(3,5-dimethyl-4-isoxazolyl)-1-(trans-4-methoxycyclohexyl)-1H-benzimidazol-2-yl)-, (6S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	818619	.	.	.	.	534.6	C30H32F2N4O3	73.4	860	4.9	39	0	7	5	"InChI=1S/C30H32F2N4O3/c1-17-29(18(2)39-34-17)19-7-14-26-25(15-19)33-30(36(26)20-8-11-22(38-3)12-9-20)27-5-4-6-28(37)35(27)21-10-13-23(31)24(32)16-21/h7,10,13-16,20,22,27H,4-6,8-9,11-12H2,1-3H3/t20 ,22 ,27-/m0/s1"	CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)[C@@H]4CCCC(=O)N4C5=CC(=C(C=C5)F)F)C6CCC(CC6)OC	SKDNDJWEBPQKCS-RIQBOWGZSA-N
DG68519	NSC809973	134470179	"N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide; BAY-2402234; 2225819-06-5; Orludodstat; UNII-X8GF945GMK; X8GF945GMK; (S)-N-(2-Chloro-6-fluorophenyl)-4-(4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-5-fluoro-2-((1,1,1-trifluoropropan-2-yl)oxy)benzamide; N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide; BAY2402234; BAY 2402234; Orludodstat(inn); N-(2-Chloro-6-fluorophenyl)-4-(4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-5-fluoro-2-(((2S)-1,1,1-trifluoropropan-2-yl)oxy)benzamide; N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzamide; SCHEMBL20108031; GTPL11897; BDBM470454; EX-A3525; MFCD31692414; NSC809973; s8847; US10815215, Example 121; BAY 2402234 [WHO-DD]; NSC-809973; HY-112645; CS-0058850; D80981; A934829; Benzamide, N-(2-chloro-6-fluorophenyl)-4-(4-ethyl-4,5-dihydro-3-(hydroxymethyl)-5-oxo-1H-1,2,4-triazol-1-yl)-5-fluoro-2-((1S)-2,2,2-trifluoro-1-methylethoxy)-; JJE; N-(2-Chloro-6-fluorophenyl)-4-(4-ethyl-4,5-dihydro-3-(hydroxymethyl)-5-oxo-1H-1,2,4-triazol-1-yl)-5-fluoro-2-((1S)-2,2,2-trifluoro-1-methylethoxy)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809973	.	.	.	.	520.799	C21H18ClF5N4O4	94.5	819	4	35	2	10	7	"InChI=1S/C21H18ClF5N4O4/c1-3-30-17(9-32)29-31(20(30)34)15-8-16(35-10(2)21(25,26)27)11(7-14(15)24)19(33)28-18-12(22)5-4-6-13(18)23/h4-8,10,32H,3,9H2,1-2H3,(H,28,33)/t10-/m0/s1"	CCN1C(=NN(C1=O)C2=C(C=C(C(=C2)O[C@@H](C)C(F)(F)F)C(=O)NC3=C(C=CC=C3Cl)F)F)CO	KNVJMHHAXCPZHF-JTQLQIEISA-N
DG68520	"4-[4-Amino-2-(4-methylanilino)-1,3-thiazole-5-carbonyl]benzonitrile"	134500787	ABC-1183; 1042735-18-1; SCHEMBL20142068; ABC1183; ABC 1183; BCP30547; NSC797769; ABC1183; ABC 1183; NSC-797769; SB18692	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797769	.	.	.	.	334.4	C18H14N4OS	120	489	4.8	24	2	6	4	"InChI=1S/C18H14N4OS/c1-11-2-8-14(9-3-11)21-18-22-17(20)16(24-18)15(23)13-6-4-12(10-19)5-7-13/h2-9H,20H2,1H3,(H,21,22)"	CC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=C(C=C3)C#N)N	CUDLEXBIVZPJBU-UHFFFAOYSA-N
DG68521	"N-[5-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide"	134611894	"AZD3458; CHEMBL4126156; 2132961-46-5; AZD-3458; N-[5-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide; GTPL9997; SCHEMBL22204270; TQR0637; EX-A3680; BDBM50274638; NSC819210; AT22694; NSC-819210; compound 15 [PMID: 29852070]; HY-112443; CS-0046065; (S)-N-(5-(2-(1-cyclopropylethyl)-7-(methylsulfonyl)-1-oxoisoindolin-5-yl)-4-methylthiazol-2-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	819210	.	.	.	.	433.5	C20H23N3O4S2	133	779	2	29	1	6	5	"InChI=1S/C20H23N3O4S2/c1-10-18(28-20(21-10)22-12(3)24)14-7-15-9-23(11(2)13-5-6-13)19(25)17(15)16(8-14)29(4,26)27/h7-8,11,13H,5-6,9H2,1-4H3,(H,21,22,24)/t11-/m0/s1"	CC1=C(SC(=N1)NC(=O)C)C2=CC3=C(C(=C2)S(=O)(=O)C)C(=O)N(C3)[C@@H](C)C4CC4	PAQUFWFUOVDUIO-NSHDSACASA-N
DG68522	"N-[4-[[5-fluoro-7-(2-methoxyethoxy)-4-quinazolinyl]amino]phenyl]-4-(1-methylethyl)-1H-1,2,3-triazole-1-acetamide"	134814269	"AZD3229; 2248003-60-1; UNII-9ZGC48P3RV; 9ZGC48P3RV; CHEMBL4216473; AZD-3229; 2248003-60-1 (free base); N-[4-[[5-fluoro-7-(2-methoxyethoxy)-4-quinazolinyl]amino]phenyl]-4-(1-methylethyl)-1H-1,2,3-triazole-1-acetamide; N-{4-[(6,7-dimethoxyquinazolin-4-yl)oxy]phenyl}-2-[4-(propan-2-yl)-1H-1,2,3-triazol-1-yl]acetamide; SCHEMBL20546500; TQP0910; EX-A2637; YPD00360; BDBM50459416; NSC813380; s8780; AKOS037515681; NSC-813380; HY-112802; CS-0065717; 1H-1,2,3-Triazole-1-acetamide, N-(4-((5-fluoro-7-(2-methoxyethoxy)-4-quinazolinyl)amino)phenyl)-4-(1-methylethyl)-; F8H; N-(4-((5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl)amino)phenyl)-2-(4-(propan-2-yl)-1H-(1,2,3)triazol-1-yl)acetamide; N-(4-((5-fluoro-7-(2-methoxyethoxy)quinazolin-4-yl)amino)phenyl)-2-(4-isopropyl-1H-1,2,3-triazol-1-yl)acetamide; N-[4-[[5-fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	813380	.	.	.	.	479.5	C24H26FN7O3	116	667	3.3	35	2	9	10	"InChI=1S/C24H26FN7O3/c1-15(2)21-12-32(31-30-21)13-22(33)28-16-4-6-17(7-5-16)29-24-23-19(25)10-18(35-9-8-34-3)11-20(23)26-14-27-24/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H,28,33)(H,26,27,29)"	CC(C)C1=CN(N=N1)CC(=O)NC2=CC=C(C=C2)NC3=NC=NC4=C3C(=CC(=C4)OCCOC)F	FLJOFQUXYAWOPE-UHFFFAOYSA-N
DG68523	Deucravacitinib	134821691	"Deucravacitinib; BMS-986165; 1609392-27-9; Tyk2-IN-4; BMS986165; UNII-N0A21N6RAU; N0A21N6RAU; 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide; Deucravacitinib (USAN); Deucravacitinib [USAN]; CHEMBL4435170; SCHEMBL20520348; GTPL10432; EX-A3154; BDBM50507816; MFCD31715455; NSC825520; s8879; Tyk2-IN-4(BMS986165); WHO 11342; AT18623; NSC-825520; compound 11 [PMID: 31318208}; NCGC00687789-01; AC-31543; HY-117287; CS-0065044; D11817; 3-Pyridazinecarboxamide, 6-((cyclopropylcarbonyl)amino]-4-((2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)amino)N-(methyl-d3)-; 6-((cyclopropylcarbonyl)amino]-4-((2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)amino)-N-((2H3)methyl)pyridazine-3-carboxamide; 6-[(Cyclopropylcarbonyl)amino]-4-[[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino]-N-(methyl-d3)-3-pyridazinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	825520	.	.	.	.	425.5	C20H22N8O3	136	648	1.2	31	3	8	7	"InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)/i1D3"	[2H]C([2H])([2H])NC(=O)C1=NN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C)NC(=O)C4CC4	BZZKEPGENYLQSC-FIBGUPNXSA-N
DG68524	"7-Methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one"	135151360	"AZD-7648; 2230820-11-6; AZD7648; 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one; 7-Methyl-2-((7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino)-9-(tetrahydro-2H-pyran-4-yl)-7H-purin-8(9H)-one; UNII-97A09L5JCK; 97A09L5JCK; 7,9-Dihydro-7-methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-8H-purin-8-one; CHEMBL4439259; SCHEMBL20299477; GTPL10601; US10407446, Example 3; BDBM413450; BCP30676; EX-A2988; AZD 7648;AZD7648; MFCD32062688; NSC817043; s8843; ZB1555; AKOS037648913; NSC-817043; SB23233; compound 16 [PMID: 31851518]; AC-31586; BS-16016; HY-111783; CS-0091859; D70089; A930641; 7-Methyl-2-((7-methyl(1,2,4)triazolo(1,5- a)pyridin-6-yl)amino)-9-(tetrahydro-2H-pyran- 4-yl)-7,9-dihydro-8H-purin-8-one; 7-methyl-2-((7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino)-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one; 8H-Purin-8-one, 7,9-dihydro-7-methyl-2-((7- methyl(1,2,4)triazolo(1,5-a)pyridin-6- yl)amino)-9-(tetrahydro-2H-pyran-4-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	817043	.	.	.	.	380.4	C18H20N8O2	101	588	1	28	1	7	3	"InChI=1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23)"	CC1=CC2=NC=NN2C=C1NC3=NC=C4C(=N3)N(C(=O)N4C)C5CCOCC5	XISVSTPEXYIKJL-UHFFFAOYSA-N
DG68525	NSC783073	135163962	"9-(3-Bromopropyl)-14-methoxy-5-nitro-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4103127; SCHEMBL20313362; BDBM50237800; NSC783073; NSC-783073"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783073	.	.	.	.	444.2	C19H14BrN3O5	105	721	2.3	28	0	6	4	"InChI=1S/C19H14BrN3O5/c1-28-11-8-14-16(21-9-11)17-15(18(14)24)12-4-3-10(23(26)27)7-13(12)19(25)22(17)6-2-5-20/h3-4,7-9H,2,5-6H2,1H3"	COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr)N=C1	RJMPNBLDKMGHPA-UHFFFAOYSA-N
DG68526	3-[2-Amino-6-[1-[[6-(2-hydroxypropan-2-yl)pyridin-2-yl]methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile	135242184	"AB928; 2239273-34-6; AB-928; UNII-W0ZE0NT8IF; W0ZE0NT8IF; 3-[2-Amino-6-[1-[[6-(2-hydroxypropan-2-yl)pyridin-2-yl]methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile; 3-(2-Amino-6-(1-((6-(2-hydroxypropan-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)pyrimidin-4-yl)-2-methylbenzonitrile; 3-[2-Amino-6-[1-[[6-(1-hydroxy-1-methylethyl)-2-pyridinyl]methyl]-1H-1,2,3-triazol-4-yl]-4-pyrimidinyl]-2-methylbenzonitrile; A2aR/A2bR antagonist-1; CHEMBL4740383; SCHEMBL20401465; GTPL11154; BCP33220; EX-A3172; MFCD32263040; NSC823658; s9608; ZB1610; AKOS037649091; AB928 ; AB 928; NSC-823658; BS-16547; HY-129393; CS-0105184; D81385; Q66977586"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	823658	.	.	.	.	426.5	C23H22N8O	139	680	1.4	32	2	8	5	"InChI=1S/C23H22N8O/c1-14-15(11-24)6-4-8-17(14)18-10-19(28-22(25)27-18)20-13-31(30-29-20)12-16-7-5-9-21(26-16)23(2,3)32/h4-10,13,32H,12H2,1-3H3,(H2,25,27,28)"	CC1=C(C=CC=C1C2=CC(=NC(=N2)N)C3=CN(N=N3)CC4=NC(=CC=C4)C(C)(C)O)C#N	BUXIAWLTBSXYSW-UHFFFAOYSA-N
DG68527	"7-[(2,3,4-Trimethoxyphenyl)methyl]benzimidazolo[1,2-a]quinolin-7-ium-3-amine"	135260648	NSC788870; NSC-788870	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788870	.	.	.	.	414.5	C25H24N3O3+	62	607	5.5	31	1	4	5	"InChI=1S/C25H24N3O3/c1-29-22-12-8-17(24(30-2)25(22)31-3)15-27-20-6-4-5-7-21(20)28-19-11-10-18(26)14-16(19)9-13-23(27)28/h4-14H,15,26H2,1-3H3/q+1"	COC1=C(C(=C(C=C1)C[N+]2=C3C=CC4=C(N3C5=CC=CC=C52)C=CC(=C4)N)OC)OC	MVOCOAKCAPUOLV-UHFFFAOYSA-N
DG68528	"4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]anilino]pyrimidine-5-carbonitrile"	135278550	SCHEMBL20442903; NSC788436; NSC-788436	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788436	.	.	.	.	489.5	C26H25F2N7O	102	780	5.3	36	3	9	5	"InChI=1S/C26H25F2N7O/c1-14-8-19-23(28)22(9-21(27)24(19)33-14)36-26-20(10-29)25(30-13-31-26)34-17-4-6-18(7-5-17)35-11-15(2)32-16(3)12-35/h4-9,13,15-16,32-33H,11-12H2,1-3H3,(H,30,31,34)/t15-,16+"	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)NC3=C(C(=NC=N3)OC4=CC(=C5C(=C4F)C=C(N5)C)F)C#N	CUIQXTHSRPQJTD-IYBDPMFKSA-N
DG68529	"(S)-6-(4-Chlorophenyl)-N-(1-hydroxypropan-2-yl)-2-(1-methyl-1H-pyrazol-4-yl)-3-oxo-2,3-dihydropyridazine-4-carboxamide"	135303769	"BAY 2416964; 2242464-44-2; (S)-6-(4-Chlorophenyl)-N-(1-hydroxypropan-2-yl)-2-(1-methyl-1H-pyrazol-4-yl)-3-oxo-2,3-dihydropyridazine-4-carboxamide; 6-(4-Chlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide; SCHEMBL20471217; BCP33103; EX-A4271; MFCD32693912; NSC825713; s8995; BAY2416964; NSC-825713; BAY-2416964; HY-135829; CS-0114330; BAY-2416964;BAY2416964; D81682"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	825713	.	.	.	.	387.8	C18H18ClN5O3	99.8	645	1.7	27	2	5	5	"InChI=1S/C18H18ClN5O3/c1-11(10-25)21-17(26)15-7-16(12-3-5-13(19)6-4-12)22-24(18(15)27)14-8-20-23(2)9-14/h3-9,11,25H,10H2,1-2H3,(H,21,26)/t11-/m0/s1"	C[C@@H](CO)NC(=O)C1=CC(=NN(C1=O)C2=CN(N=C2)C)C3=CC=C(C=C3)Cl	YAGSZKAJPHGVOV-NSHDSACASA-N
DG68530	6-methoxy-3-[(E)-3-(2-methoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one	135339964	SCHEMBL20513190; NSC793099; NSC-793099	.	.	Investigative Drug(s)	Investigative	Small molecular drug	793099	.	.	.	.	335.4	C20H17NO4	64.599	568	3.1	25	1	4	5	"InChI=1S/C20H17NO4/c1-24-15-8-9-17-14(12-15)11-13(20(23)21-17)7-10-18(22)16-5-3-4-6-19(16)25-2/h3-12H,1-2H3,(H,21,23)/b10-7+"	COC1=CC2=C(C=C1)NC(=O)C(=C2)/C=C/C(=O)C3=CC=CC=C3OC	LAYYSAODOKVYEU-JXMROGBWSA-N
DG68531	3-[(E)-3-(2-ethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one	135339968	SCHEMBL20513200; NSC795902; NSC-795902	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795902	.	.	.	.	319.4	C20H17NO3	55.4	537	3.4	24	1	3	5	"InChI=1S/C20H17NO3/c1-2-24-19-10-6-4-8-16(19)18(22)12-11-15-13-14-7-3-5-9-17(14)21-20(15)23/h3-13H,2H2,1H3,(H,21,23)/b12-11+"	CCOC1=CC=CC=C1C(=O)/C=C/C2=CC3=CC=CC=C3NC2=O	SEISRPMGAKDAMQ-VAWYXSNFSA-N
DG68532	1-Cyclopropyl-3-(3-(5-(morpholinomethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazol-4-yl)urea	135398495	"AT9283; 896466-04-9; 1-Cyclopropyl-3-(3-(5-(morpholinomethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazol-4-yl)urea; AT-9283; AT 9283; AT-9283 free base; UNII-XAV9KYN9WL; XAV9KYN9WL; AT 9283, (2S)-2-hydroxy-propanoic acid salt; 896466-04-9 (free base); 896466-76-5; 1-Cyclopropyl-3-{3-[5-(Morpholin-4-Ylmethyl)-1h-Benzimidazol-2-Yl]-1h-Pyrazol-4-Yl}urea; J-504568; C19H23N7O2; 35R; MLS006011044; SCHEMBL545809; CHEMBL495727; GTPL7949; SCHEMBL15005492; SCHEMBL15005494; BDBM27087; EX-A201; SYN1011; CHEBI:125514; BCPP000379; HMS3244O09; HMS3244O10; HMS3244P09; HMS3654G08; HMS3673I15; BCP11714; BDBM50243388; MFCD12031513; NSC760144; NSC799339; s1134; ZINC34637502; ZINC38995988; AKOS016006006; AKOS026750645; ZINC136047369; BCP9000337; CCG-268424; CS-0107; NSC-760144; NSC-799339; QC-4297; 1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea; 3-cyclopropyl-1-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-2-yl]-1H-pyrazol-4-yl}urea; Urea, N-cyclopropyl-N'-(3-(6-(4-morpholinylmethyl)-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl)-; NCGC00346493-01; NCGC00346493-06; NCGC00389697-02; NCGC00389697-03; pyrazole-benzimidazole urea analogue, 16; AC-32808; AS-16186; HY-50514; SMR004702836; DB-078462; SW220119-1; X7478; F17373; 466C049; A900407; AT 9283; AT-9283; AT-9283 free base; BRD-K24576554-001-01-4; Q27074571; Q27216136; Q27453557; 1-cyclopropyl-3-(3-(6-(morpholinomethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazol-4-yl)urea; 1-cyclopropyl-3-[3-(5-morpholin-4-ylmethyl-1h-benzoimidazol-2-yl )-1h-pyrazol-4-yl]-urea; 1-cyclopropyl-3-[3-(5-morpholin-4-ylmethyl-1H-benzoimidazol-2-yl)-1H-pyrazol-4-yl]-urea; N-cyclopropyl-N'-[3-[5-(4-morpholinylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]Urea; 1-cyclopropyl-3-[(3E)-3-[5-(morpholin-4-ylmethyl)benzimidazol-2-ylidene]-1,2-dihydropyrazol-4-yl]urea; 1-cyclopropyl-3-[(3Z)-3-[5-(morpholin-4-ylmethyl)benzimidazol-2-ylidene]-1,2-dihydropyrazol-4-yl]urea; 1-cyclopropyl-3-[3-[5-(4-morpholinylmethyl)-2-benzimidazolylidene]-1,2-dihydropyrazol-4-yl]urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760144	.	.	.	.	381.4	C19H23N7O2	111	554	0.5	28	4	5	5	"InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)"	C1CC1NC(=O)NC2=C(NN=C2)C3=NC4=C(N3)C=C(C=C4)CN5CCOCC5	LOLPPWBBNUVNQZ-UHFFFAOYSA-N
DG68533	Otssp167	135398499	"OTSSP167; 1431697-89-0; OTS-167; OTSSP-167; OTSSP167 free base; MELK inhibitor; OTS167; UNII-VY778IXU5T; VY778IXU5T; 1431697-89-0 (free base); 1-(6-(3,5-dichloro-4-hydroxyphenyl)-4-(((1r,4r)-4-((dimethylamino)methyl)cyclohexyl)amino)-1,5-naphthyridin-3-yl)ethanone; 1-[6-(3,5-Dichloro-4-Hydroxyphenyl)-4-({trans-4-[(Dimethylamino)methyl]cyclohexyl}amino)-1,5-Naphthyridin-3-Yl]ethanone; 4-[7-acetyl-8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1H-1,5-naphthyridin-2-ylidene]-2,6-dichlorocyclohexa-2,5-dien-1-one; AMX10201; Melk inhibitor OTS167; GTPL8046; CHEMBL3688339; CHEMBL3692820; SCHEMBL16337704; SCHEMBL16337706; SCHEMBL16337987; BDBM60438; CHEBI:95088; AOB6047; DTXSID90856134; OTS 167; BDBM166063; BDBM166150; BCP09935; EX-A2119; 2618AH; NSC801013; AKOS025117446; ZINC101773682; ZINC205186723; ZINC252584860; ZINC575440607; CS-1147; NSC-801013; SB17231; NCGC00386398-02; NCGC00386398-03; NCGC00389259-02; BO170790; BS-15570; DA-44778; HY-15512; MELK inhibitor;OTSSP-167;OTSSP 167; FT-0702382; S7159; C72690; US9067937, 6; US9067937, 28; US9067937, 94; Q27088220; Q27292088; 1-(8-((1R,4R)-4-((Dimethylamino)methyl)cyclohexylamino)-2-(3,5-dichloro-4-hydroxyphenyl)-1,5-naphthyridin-7-yl)ethanone; 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone; 4-[7-Acetyl-8-({4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-2(1H)-ylidene]-2,6-dichlorocyclohexa-2,5-dien-1-one; Ethanone, 1-(6-(3,5-dichloro-4-hydroxyphenyl)-4-((trans-4-((dimethylamino)methyl)cyclohexyl)amino)-1,5-naphthyridin-3-yl)-; OT5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801013	.	.	.	.	487.4	C25H28Cl2N4O2	78.4	648	5.6	33	2	6	6	"InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)"	CC(=O)C1=CN=C2C=CC(=NC2=C1NC3CCC(CC3)CN(C)C)C4=CC(=C(C(=C4)Cl)O)Cl	DKZYXHCYPUVGAF-UHFFFAOYSA-N
DG68535	"5-(2-Chlorophenyl)-7-fluoro-1,2-dihydro-8-methoxy-3-methylpyrazolo(3,4-b)(1,4)benzodiazepine"	135398512	"882531-87-5; R1530; R-1530; UNII-XQJ55R5PPQ; XQJ55R5PPQ; CID 11610113; CHEMBL1980391; 5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-1,2-dihydropyrazolo[3,4-b][1,4]benzodiazepine; RG-1530; R 1530; R-1521; C18H14ClFN4O; 5-(2-Chlorophenyl)-7-fluoro-1,2-dihydro-8-methoxy-3-methylpyrazolo(3,4-b)(1,4)benzodiazepine; 5-(2-Chlorophenyl)-7-fluoro-8-methoxy-3-methyl-1,2-dihydrobenzo[e]pyrazolo[4,3-b][1,4]diazepine; 5-(2-Chlorophenyl)-7-fluoro-1,2-dihydro-8-methoxy-3-methylpyrazolo[3,4-b][1,4]benzodiazepine; Kinome_3737; SCHEMBL3824661; SCHEMBL13751393; GTPL10361; AOB2764; SYN5221; EX-A2311; 3996AH; BDBM50426474; MFCD23704870; NSC767953; ZINC35930738; AKOS024458398; AKOS030526962; compound 2 [PMID: 24900658]; CS-1627; NSC-767953; NCGC00390699-04; 5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine; AS-16578; DA-21191; HY-13737; Pyrazolo(3,4-b)(1,4)benzodiazepine, 5-(2-chlorophenyl)-7-fluoro-1,2-dihydro-8-methoxy-3-methyl-; QC-10462; FT-0768325; R1530, >=98% (HPLC); F20797; Q27293966; 5-(2-chlorophenyl)-1,2-dihydro-7-fluoro-8-methoxy-3-methyl-pyrazolo[3,4-b][1,4]benzodiazepine; 5-(2-Chlorophenyl)-7-fluoro-8-methoxy-3-methyl-2,10-dihydrobenzo[e]pyrazolo[4,3-b][1,4]diazepine; 9-(2-chlorophenyl)-12-fluoro-13-methoxy-6-methyl-2,4,5,8-tetraazatricyclo[8.4.0.0 , ]tetradeca-1(14),2,6,8,10,12-hexaene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767953	.	.	.	.	356.8	C18H14ClFN4O	62.3	521	4.4	25	2	5	2	"InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24)"	CC1=C2C(=NN1)NC3=CC(=C(C=C3C(=N2)C4=CC=CC=C4Cl)F)OC	UOVCGJXDGOGOCZ-UHFFFAOYSA-N
DG68536	GSK-3 Inhibitor X	135398521	"BIO-Acetoxime; 667463-85-6; GSK-3 Inhibitor X; (E/Z)-BIO-acetoxime; indirubin deriv. 8a; [(E)-[2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino] acetate; 740841-15-0; (2Z,3E)-3-(acetoxyimino)-6'-bromo-[2,3'-biindolinylidene]-2'-one; BIO-acetoxime (GSK-3 Inhibitor X); 6-BROMOINDIRUBIN-3'-ACETOXIME; 6-bromoindirubin-3 -acetoxime; BDBM7402; CHEMBL430226; SCHEMBL22300552; DTXSID20648024; EX-A2281; BIO-Acetoxime, >=98% (HPLC); MFCD09037533; NSC764238; s7915; AKOS024457841; AKOS025295610; CCG-268629; NSC-764238; NCGC00480866-02; AC-32947; BS-17315; HY-15356; HY-114903; (2 Z,3 E)-6-Bromoindirubin-3 -acetoxime; B5488; CS-0005983; CS-0064615; [(E)-[(2Z)-2-(6-bromo-2-oxo-indolin-3-ylidene)indolin-3-ylidene]amino] acetate; 3-{3-[(Acetyloxy)amino]-2H-indol-2-ylidene}-6-bromo-1,3-dihydro-2H-indol-2-one; [(3E)-2-[(3Z)-6-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2,3-dihydro-1H-indol-3-ylidene]amino acetate; 3-{3-[(Acetyloxy)imino]-1,3-dihydro-2H-indol-2-ylidene}-6-bromo-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764238	.	.	.	.	398.2	C18H12BrN3O3	87	608	3.8	25	2	5	3	"InChI=1S/C18H12BrN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,21,24H,1H3/b22-16+"	CC(=O)O/N=C/1\\C2=CC=CC=C2N=C1C3=C(NC4=C3C=CC(=C4)Br)O	HUDSYNWJCPDHLL-CJLVFECKSA-N
DG68537	"Benzenesulfonic acid, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-, tetrasodium salt"	135398549	"TPPS; 35218-75-8; TPPS4; Tetraphenylporphine tetrasulfonic acid; CHEMBL221265; 4,4 inverted exclamation marka,4 inverted exclamation marka,4 inverted exclamation marka inverted exclamation marka-(Porphine-5,10,15,20-tetrayl)tetrakis(benzenesulfonic acid); Benzenesulfonic acid, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-, tetrasodium salt; 4,4',4'',4'''-(Porphyrin-5,10,15,20-tetrayl)tetrabenzenesulfonic acid; 4-[10,15,20-tris(4-sulfophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonic acid; NSC177391; Tetrasodium meso-tetra(p-sulfonatophenyl)porphine; WR 247188; meso-Tetrakis(p-sulfophenyl)porphine tetrasodium salt; MTSPP; 39050-26-5; TPPS Hydrate (=Tetraphenylporphyrin Tetrasulfonic Acid Hydrate) [Ultra-high sensitive spectrophotometric reagent for transition metals]; 4,4',4'',4'''-(21H,23H-Porphine-5,10,15,20-tetrayl)tetrakis(benzenesulfonic acid); SCHEMBL218702; YSCH0011; CHEMBL2369102; EINECS 254-262-8; BDBM50195138; STK568251; AKOS005494142; MCULE-8434310246; NSC 322091; 4,4',4'',4'''-(21H,23H-Porphine-5,10,15,20-tetrayl)tetrakisbenzenesulfonic acid; Benzenesulfonic acid, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-; BS-49276; NCI60_002796; 5,10,15,20-tetra(4-sulfophenyl)porphyrin; CS-0111571; 4,4',4'',4'''-porphyrin-5,10,15,20-tetrayltetrabenzenesulfonic acid; 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-Benzenesulfonic acid; 4,4',4'',4'''-(Porphine-5,10,15,20-tetrayl)tetrakis(benzenesulfonic acid); 4,4',4',4''-(Porphine-5,10,15,20-tetrayl)tetrakis(benzenesulfonic acid), for spectrophotometric det. of transition metals, >=95.0%; 4-[(1Z,4Z,9Z,15Z)-10,15,20-tris(4-sulfophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonic acid; 4-[7,12,17-tris(4-sulfophenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzene-1-sulfonic acid; Tetrasodium p,p',p'',p'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis(benzenesulphonate); TPPS (=Tetraphenylporphyrin Tetrasulfonic Acid ) [Ultra-high sensitive spectrophotometric reagent for transition metals]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	177391	.	.	.	.	935	C44H30N4O12S4	308	1770	5.4	64	6	14	8	"InChI=1S/C44H30N4O12S4/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57/h1-24,45,48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)"	C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)O)C8=CC=C(C=C8)S(=O)(=O)O)C=C4)C9=CC=C(C=C9)S(=O)(=O)O)N3)S(=O)(=O)O	PBHVCRIXMXQXPD-UHFFFAOYSA-N
DG68538	Isoxanthopterin	135398700	"Isoxanthopterin; 529-69-1; 2-Amino-4,7-dihydroxypteridine; 2-Aminopteridine-4,7-diol; Ranachrome 4; 2-Amino-4,7(3H,8H)-pteridinedione; 2-Aminopteridine-4,7(1H,8H)-dione; 2-AMINO-4,7(1H,8H)-PTERIDINEDIONE; 2-amino-3,8-dihydropteridine-4,7-dione; UNII-XR11PF6TYR; XR11PF6TYR; 2-aminopteridine-4,7(3H,8H)-dione; 2-amino-1,8-dihydropteridine-4,7-dione; 4,7(3H,8H)-Pteridinedione, 2-amino-; CHEBI:16713; NSC118090; 2-amino-1,4,7,8-tetrahydropteridine-4,7-dione; EINECS 208-469-5; NSC 118090; 2-Amino-4,7-pteridinediol; 7-hydroxypterin; Isoxanthopterin, 97%; Spectrum_000248; 4,7(1H,8H)-Pteridinedione, 2-amino-; SpecPlus_000308; Spectrum4_001242; Lopac-I-7388; 4,7(1H,8H)-Pteridinedione, 2-amino- (9CI); Lopac0_000712; KBioGR_001764; KBioSS_000728; 2-amino-pteridine-4,7-diol; DivK1c_006404; CHEMBL464251; SCHEMBL1331103; SCHEMBL9148336; KBio1_001348; KBio2_000728; KBio2_003296; KBio2_005864; DTXSID20200949; HMS3262O05; 4,8H)-Pteridinedione, 2-amino-; Tox21_500712; CCG-40096; Isoxanthopterin, >=97.5%, powder; MFCD00006696; NSC614991; ZINC14419577; 2-amino-3H,8H-pteridine-4,7-dione; AKOS024327289; Isoxanthopterin, >=97.5% (HPLC); LP00712; MCULE-3517565148; NSC-118090; NSC-614991; SDCCGSBI-0050690.P003; NCGC00015564-01; NCGC00015564-02; NCGC00015564-03; NCGC00015564-04; NCGC00015564-06; NCGC00094062-01; NCGC00094062-02; NCGC00261397-01; 2-Amino-4,7(1H,8H)-pteridinedione #; NCI60_000432; DB-020417; EU-0100712; FT-0632314; C03975; E73764; I 7388; A829331; SR-01000075227; SR-01000075227-1; W-202999; 2-Amino-4,7-dihydroxy-1,3,5,8-tetraazanaphthalene; Q27102039; 7PD"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118090	.	.	.	.	179.14	C6H5N5O2	109	392	-2.1	13	3	4	0	"InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)"	C1=NC2=C(NC1=O)N=C(NC2=O)N	GLKCOBIIZKYKFN-UHFFFAOYSA-N
DG68539	"5-amino-4-(1,3-benzothiazol-2-yl)-1-(3,5-dichlorophenyl)-1,2-dihydro-3H-pyrrol-3-one"	135398754	"ZINC5008920; MFCD04975756; NSC743270; AKOS001849469; MCULE-5320294478; NSC-743270; 5-amino-4-(1,3-benzothiazol-2-yl)-1-(3,5-dichlorophenyl)-1,2-dihydro-3H-pyrrol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743270	.	.	.	.	376.3	C17H11Cl2N3OS	88.4	548	4.2	24	2	4	2	"InChI=1S/C17H11Cl2N3OS/c18-9-5-10(19)7-11(6-9)22-8-13(23)15(16(22)20)17-21-12-3-1-2-4-14(12)24-17/h1-7,20,23H,8H2"	C1C(=C(C(=N)N1C2=CC(=CC(=C2)Cl)Cl)C3=NC4=CC=CC=C4S3)O	JFFHGCQLTHUVQZ-UHFFFAOYSA-N
DG68540	5-Hydroxy-6-methoxy-8-nitroquinoline	135399288	"5323-58-0; 5-Hydroxy-6-methoxy-8-nitroquinoline; 6-Methoxy-8-nitroquinolin-5-ol; NSC2785; 5-Quinolinol, 6-methoxy-8-nitro-; Oprea1_192095; SCHEMBL10944706; DTXSID70277540; NSC-2785; ZINC5607241; 6-Methoxy-8-nitro-5-quinolinol #; MCULE-9870392160"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2785	.	.	.	.	220.18	C10H8N2O4	88.2	268	1.6	16	1	5	1	"InChI=1S/C10H8N2O4/c1-16-8-5-7(12(14)15)9-6(10(8)13)3-2-4-11-9/h2-5,13H,1H3"	COC1=C(C2=C(C(=C1)[N+](=O)[O-])N=CC=C2)O	QAICTYKDANKDKI-UHFFFAOYSA-N
DG68541	"2-Acetylimidazo[4,5-b]pyridin 4 methyl 3 thiosemicarbazone"	135399871	"NSC-674096; CHEMBL1982964; NSC674096; 2-Acetylimidazo[4,5-b]pyridin 4 methyl 3 thiosemicarbazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674096	.	.	.	.	248.31	C10H12N6S	110	318	1	17	3	4	2	"InChI=1S/C10H12N6S/c1-6(15-16-10(17)11-2)8-13-7-4-3-5-12-9(7)14-8/h3-5H,1-2H3,(H2,11,16,17)(H,12,13,14)/b15-6+"	C/C(=N\\NC(=S)NC)/C1=NC2=C(N1)C=CC=N2	ZJDYIPJZPKKYQG-GIDUJCDVSA-N
DG68542	2-Hydroxynaphthalene-1-carbaldehyde (2-pyridyl)hydrazone	135400277	2-Hydroxynaphthalene-1-carbaldehyde (2-pyridyl)hydrazone; 10335-60-1; 1-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]naphthalen-2-ol; MLS002703457; SCHEMBL14571422; NSC98573; ZINC4421372; NSC-98573; SR-01000195620; SR-01000195620-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98573	.	.	.	.	263.29	C16H13N3O	57.5	334	3.7	20	2	4	3	"InChI=1S/C16H13N3O/c20-15-9-8-12-5-1-2-6-13(12)14(15)11-18-19-16-7-3-4-10-17-16/h1-11,20H,(H,17,19)/b18-11-"	C1=CC=C2C(=C1)C=CC(=C2/C=N\\NC3=CC=CC=N3)O	SJAJMGQSQCLFSP-WQRHYEAKSA-N
DG68543	N'-(2-hydroxybenzylidene)-2-phenylacetohydrazide	135400303	N'-(2-hydroxybenzylidene)-2-phenylacetohydrazide; NSC715186; Phenyl-acetic acid (2-hydroxy-benzylidene)-hydrazide; CHEMBL201051; STK134301; ZINC95938777; AKOS000667175; NSC-715186; AK-968/11180038; N'-[(E)-(2-hydroxyphenyl)methylidene]-2-phenylacetohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715186	.	.	.	.	254.28	C15H14N2O2	61.7	311	2.4	19	2	3	4	"InChI=1S/C15H14N2O2/c18-14-9-5-4-8-13(14)11-16-17-15(19)10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,17,19)/b16-11+"	C1=CC=C(C=C1)CC(=O)N/N=C/C2=CC=CC=C2O	PIKSTPCXRWWXCO-LFIBNONCSA-N
DG68544	(2E)-2-(1H-indol-3-ylmethylidene)hydrazinecarbothioamide	135400404	6868-28-6; 1H-indole-3-carbaldehyde thiosemicarbazone; (2E)-2-(1H-indol-3-ylmethylidene)hydrazinecarbothioamide; [(E)-1H-indol-3-ylmethylideneamino]thiourea; CHEMBL1818880; NSC63786; [(E)-1h-indol-3-ylmethyleneamino]thiourea; SR-01000078650; NSC-63786; MLS000595042; SCHEMBL4332218; HMS1607D16; NCI63786; BBL002048; BDBM50350999; CCG-38180; MFCD00022735; STK033225; ZINC15988076; AKOS000485272; SMR000184428; VS-01009; BIM-0004952.P001; CS-0331358; [(E)-[(1H-indol-3-yl)methylidene]amino]thiourea; SR-01000078650-1; SR-01000078650-2; 2-((1H-indol-3-yl)methylene)hydrazine-1-carbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	63786	.	.	.	.	218.28	C10H10N4S	98.3	266	1.5	15	3	2	2	"InChI=1S/C10H10N4S/c11-10(15)14-13-6-7-5-12-9-4-2-1-3-8(7)9/h1-6,12H,(H3,11,14,15)/b13-6+"	C1=CC=C2C(=C1)C(=CN2)/C=N/NC(=S)N	RZOVCYGQNDYSCH-AWNIVKPZSA-N
DG68545	Salicylaldehyde benzoyl hydrazone	135400584	"Salicylaldehyde benzoyl hydrazone; Salicylidenebenzhydrazide; 3232-37-9; Salicylidene benzhydrazide; Salicylidene benzoylhydrazone; N'-(2-hydroxybenzylidene)benzohydrazide; N'-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzohydrazide; Sab hydrazone; NSC148180; PhCON2 2OHPhCHO; salicylaldehydebenzoylhydrazone; salicyladehyde benzoylhydrazone; SCHEMBL414977; CHEMBL373277; DTXSID80877419; BDBM50501186; MFCD00043785; Salicylaldehyde Phenyl-acyl hydrazone; ZINC16970311; AKOS001030486; NSC 148180; NSC-148180; N''''-(2-Hydroxybenzylidene)Benzohydrazide; Benzoic acid, (2-hydroxyBenzylidene)hydrazide; AB00747818-01; AE-848/00909038; N-[(E)-(2-hydroxyphenyl)methyleneamino]benzamide; N'-[(1E)-(2-hydroxyphenyl)methylene]benzohydrazide; N'-[(E)-(2-Hydroxyphenyl)methylidene]benzohydrazide #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	148180	.	.	.	.	240.26	C14H12N2O2	61.7	298	2.2	18	2	3	3	"InChI=1S/C14H12N2O2/c17-13-9-5-4-8-12(13)10-15-16-14(18)11-6-2-1-3-7-11/h1-10,17H,(H,16,18)/b15-10+"	C1=CC=C(C=C1)C(=O)N/N=C/C2=CC=CC=C2O	WKIWEDKDZPIULI-XNTDXEJSSA-N
DG68546	Inosine dialdehyde	135400916	"Inosine dialdehyde; INOX; 23590-99-0; UNII-4613T5ZY7G; 4613T5ZY7G; NSC 118994; (R)-3-Hydroxy-2-((R)-2-oxo-1-(6-oxo-1H-purin-9(6H)-yl)ethoxy)propanal; Diglycoaldehyde; SCHEMBL2557589; CHEMBL1998222; NSC118994; ZINC13304290; NSC-118994; NCI60_000456; 9H-Purine-9-acetaldehyde,6-dihydro-6-oxo-, (R,R)-; Q27258885; 9H-Purine-9-acetaldehyde,6-dihydro-6-oxo-, (R-(R*,R*))-; alpha-(Hydroxymethyl)-alpha'-(6-hydroxy-9H-purin-9-yl) diglycolaldehyde; (R,R)-alpha-(1-Formyl-2-hydroxyethoxy)-1,6-dihydro-6-oxo-9H-purine-9-acetaldehyde; 9H-Purine-9-acetaldehyde, alpha-(1-formyl-2-hydroxyethoxy)-1,6-dihydro-6-oxo-, (R,R)-; Diglycolaldehyde, .alpha.-(hydroxymethyl)-.alpha.'-(6-hydroxy-9H-purin-9-yl)-; 9H-Purine-9-acetaldehyde, alpha-(1-formyl-2-hydroxyethoxy)-1,6-dihydro-6-oxo-, (R,(R*,R*))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118994	.	.	.	.	266.21	C10H10N4O5	123	401	-2	19	2	7	6	"InChI=1S/C10H10N4O5/c15-1-6(2-16)19-7(3-17)14-5-13-8-9(14)11-4-12-10(8)18/h1,3-7,16H,2H2,(H,11,12,18)/t6-,7+/m0/s1"	C1=NC2=C(C(=O)N1)N=CN2[C@@H](C=O)O[C@H](CO)C=O	RGWOFTGZWJGPHG-NKWVEPMBSA-N
DG68547	"2-Quinoxalinecarbonitrile, 7-chloro-3-(phenylamino)-, 1,4-dioxide"	135400998	"MLS002702539; SMR001566149; 2-Quinoxalinecarbonitrile , 7-chloro-3-(phenylamino)-, 1,4-dioxide; NSC693869; cid_392857; CHEMBL1705662; BDBM96285; DTXSID00327845; 7-chloro-4-hydroxy-1-oxido-3-phenyliminoquinoxalin-1-ium-2-carbonitrile; NSC-693869; 2-Quinoxalinecarbonitrile , 1,4-dioxide; 220968-91-2; NCI60_033601; 7-Chloro-3-phenylamino-2-quinoxalinecarbonitrile, 1,4-di-N-oxide; 3-anilino-7-chloro-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile; 7-chloro-4-hydroxy-1-oxido-3-phenylimino-2-quinoxalin-1-iumcarbonitrile; 7-chloro-4-hydroxy-1-oxido-3-phenylimino-quinoxalin-1-ium-2-carbonitrile; 7-chloranyl-1-oxidanidyl-4-oxidanyl-3-phenylimino-quinoxalin-1-ium-2-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693869	.	.	.	.	312.71	C15H9ClN4O2	86.7	437	2.3	22	1	4	2	"InChI=1S/C15H9ClN4O2/c16-10-6-7-12-13(8-10)19(21)14(9-17)15(20(12)22)18-11-4-2-1-3-5-11/h1-8,18H"	C1=CC=C(C=C1)NC2=[N+](C3=C(C=C(C=C3)Cl)[N+](=C2C#N)[O-])[O-]	TZSAEEXSFZQNSH-UHFFFAOYSA-N
DG68548	"4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinecarboxylic acid"	135401754	"NSC673100; CHEMBL1987335; 4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinecarboxylic acid; NSC-673100; NCI60_025879; 4-(4-hydroxy-2,6-dimethyl-pyrimidin-5-yl)piperazine-1-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673100	.	.	.	.	252.27	C11H16N4O3	85.2	447	-0.7	18	2	5	1	"InChI=1S/C11H16N4O3/c1-7-9(10(16)13-8(2)12-7)14-3-5-15(6-4-14)11(17)18/h3-6H2,1-2H3,(H,17,18)(H,12,13,16)"	CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)C(=O)O	NNMLZOOXHSMUKJ-UHFFFAOYSA-N
DG68550	"N-(4-(N-((2-amino-3,4-dihydro-4-oxo-6-quinazolinyl)methyl)-N-prop-2-ynylamino)benzoyl)glutamic acid"	135402053	"ICI-155387; CHEMBL422395; 76849-19-9; N(10)-propargyl-5,8-dideazafolate; ICI 155387; NSC 327182; NSC-327182; 5,8-dideaza-N(10)propargylfolic acid; N(sup 10)-Propargyl-5,8-dideazafolic acid; n-(4(N-((2-amino-4-hydroxy-6-quinazolinyl)methyl)prop-2-ynylamino)benzoyl)-L-glutamic acid; N-(4-(((N-(2-Amino-4-hydroxy-6-quinazolinyl)methyl)prop-2-ynilamino)benzoyl))-L-glutamic acid; N-(4-(N-((2-amino-3,4-dihydro-4-oxo-6-quinazolinyl)methyl)-N-prop-2-ynylamino)benzoyl)glutamic acid; 2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid; BDBM50008294; NSC327182; L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)benzoyl)-; NCI60_002838; L-Glutamic acid,4-dihydro-4-oxo-6-quinazolinyl)methyl]-2-propynylamino]benzoyl]-; 2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)benzamido)pentanedioic acid; 2-[4-[N-[(2-Amino-3,4-dihydro-4-oxoquinazolin)-6-ylmethyl]-N-(2-propynyl)amino]benzoylamino]glutaric acid; 2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid; 2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid (PDDF); 2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid(N10-propargyl-5,8-dideazafolate, PDDF); 2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid(PDDF)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	327182	.	.	.	.	477.5	C24H23N5O6	174	903	0.6	35	5	8	10	"InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)"	C#CCN(CC1=CC2=C(C=C1)N=C(NC2=O)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	LTKHPMDRMUCUEB-UHFFFAOYSA-N
DG68551	"3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-3,4-dihydro-2(1H)-quinoxalinone"	135403092	"NSC682571; 3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-3,4-dihydro-2(1H)-quinoxalinone; 3-[2-(2,4-dimethylphenyl)-2-oxoethylidene]-3,4-dihydro-2(1H)-quinoxalinone; CHEMBL1982099; (3Z)-3-[2-(2,4-dimethylphenyl)-2-oxoethylidene]-3,4-dihydroquinoxalin-2(1H)-one; AKOS001792110; MCULE-4308775652; NSC-682571; NCI60_029572; (3Z)-3-[2-(2,4-dimethylphenyl)-2-oxo-ethylidene]-1,4-dihydroquinoxalin-2-one; (Z)-3-(2-(2,4-dimethylphenyl)-2-oxoethylidene)-3,4-dihydroquinoxalin-2(1H)-one; 180389-11-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682571	.	.	.	.	292.3	C18H16N2O2	61.7	497	2.9	22	2	3	2	"InChI=1S/C18H16N2O2/c1-11-7-8-13(12(2)9-11)17(21)10-16-18(22)20-15-6-4-3-5-14(15)19-16/h3-10,21H,1-2H3,(H,20,22)/b17-10-"	CC1=CC(=C(C=C1)/C(=C/C2=NC3=CC=CC=C3NC2=O)/O)C	XMELYNFWRGFLLX-YVLHZVERSA-N
DG68552	"(3Z)-6-nitro-3-phenacylidene-1,4-dihydroquinoxalin-2-one"	135403094	"NSC682582; MLS000713999; (3Z)-6-nitro-3-phenacylidene-1,4-dihydroquinoxalin-2-one; SMR000171615; 6-Nitro-3-(2-oxo-2-phenyl-ethylidene)-3,4-dihydro-1H-quinoxalin-2-one; 6-nitro-3-(2-oxo-2-phenylethylidene)-3,4-dihydro-2(1H)-quinoxalinone; CHEMBL1350912; CHEMBL4460138; BDBM52702; cid_6477523; STL151178; AKOS005750974; AKOS030505150; ZINC101712644; CCG-233123; NSC-682582; NCI60_029583; AG-690/11548198; 3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitroquinoxalin-2-ol; 6-(Hydroxy(oxido)amino)-3-(2-oxo-2-phenylethylidene)-3,4-dihydro-2(1H)-quinoxalinone; 254980-00-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682582	.	.	.	.	309.28	C16H11N3O4	108	546	2	23	2	5	2	"InChI=1S/C16H11N3O4/c20-15(10-4-2-1-3-5-10)9-14-16(21)18-12-7-6-11(19(22)23)8-13(12)17-14/h1-9,20H,(H,18,21)/b15-9-"	C1=CC=C(C=C1)/C(=C/C2=NC3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)/O	STBHFUGEKVMJSL-DHDCSXOGSA-N
DG68553	"N'-(2,3-dihydroxybenzylidene)benzohydrazide"	135403169	"CHEMBL203363; N'-(2,3-dihydroxybenzylidene)benzohydrazide; MLS003171103; NSC351813; Benzoic acid (2,3-dihydroxy-benzylidene)-hydrazide; SCHEMBL14983946; BDBM50501170; STK018377; ZINC17139168; AKOS000483386; NSC-351813; 3-Hydroxysalicylaldehyde benzoylhydrazone; N''''-(2,3-Dihydroxybenzylidene)Benzohydrazide; AG-690/11450109; N-[(E)-(2,3-dihydroxyphenyl)methyleneamino]benzamide; N'-[(E)-(2,3-dihydroxyphenyl)methylidene]benzohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	351813	.	.	.	.	256.26	C14H12N2O3	81.9	327	1.8	19	3	4	3	"InChI=1S/C14H12N2O3/c17-12-8-4-7-11(13(12)18)9-15-16-14(19)10-5-2-1-3-6-10/h1-9,17-18H,(H,16,19)/b15-9+"	C1=CC=C(C=C1)C(=O)N/N=C/C2=C(C(=CC=C2)O)O	JZHNRNFHZBZDJV-OQLLNIDSSA-N
DG68554	"3-(Methyl-phenyl-hydrazono)-1,3-dihydro-indol-2-one"	135403203	"NSC362664; CHEMBL1992632; AKOS024330983; MCULE-4147727747; NSC-362664; AB00079387-01; 1H-indole-2,3-dione 3-[methyl(phenyl)hydrazone]; 3-(METHYL-PHENYL-HYDRAZONO)-1,3-DIHYDRO-INDOL-2-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	362664	.	.	.	.	251.28	C15H13N3O	44.7	374	3	19	1	3	2	"InChI=1S/C15H13N3O/c1-18(11-7-3-2-4-8-11)17-14-12-9-5-6-10-13(12)16-15(14)19/h2-10H,1H3,(H,16,17,19)"	CN(C1=CC=CC=C1)/N=C\\2/C3=CC=CC=C3NC2=O	HKGGKNGFKPPLAY-UHFFFAOYSA-N
DG68555	"2,4-Diamino-6-hydroxy-5-phenylazopyrimidine"	135403411	"Py 40; 3054-70-4; MLS002637802; NSC5200; NSC 5200; 2,6-diamino-pyrimidin-4,5-dione 5-phenylhydrazone; 2,6-Diamino-5-(phenylazo)-4-pyrimidinol; AI3-61840; 2,4-Diamino-6-hydroxy-5-phenylazopyrimidine; 4-Pyrimidinol, 2,6-diamino-5-(phenylazo)-; NCIMech_000194; 4(1H)-Pyrimidinone, 2,6-diamino-5-(phenylazo)-; CHEMBL1897688; CHEMBL2003730; Py 101; HMS3078M23; NSC-5200; CCG-35472; ZINC16051230; 4-Pyrimidinol,6-diamino-5-phenylazo-; AKOS015917223; ZINC102902720; NCI60_004258; SMR001547319; 2,6-diamino-5-phenyldiazenylpyrimidin-4-ol; DS-000619; 2,6-diamino-5-[(E)-phenyldiazenyl]-4-pyrimidinol; 4(3H)-PYRIMIDINONE,2,6-DIAMINO-5-(2-PHENYLDIAZENYL)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5200	.	.	.	.	230.23	C10H10N6O	118	405	0.2	17	3	5	2	"InChI=1S/C10H10N6O/c11-8-7(9(17)14-10(12)13-8)16-15-6-4-2-1-3-5-6/h1-5H,(H5,11,12,13,14,17)"	C1=CC=C(C=C1)N=NC2=C(N=C(NC2=O)N)N	MUDXKPHUGKQTPE-UHFFFAOYSA-N
DG68556	"Mercury, (4-aminophenyl)(6-thioguanosinato-N7,S6)-"	135403617	"NSC321237; Mercury, (4-aminophenyl)(6-thioguanosinato-N7,S6)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	321237	.	.	.	.	593	C16H20HgN6O4S+	196	594	.	28	7	7	3	"InChI=1S/C10H13N5O4S.C6H6N.Hg/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9;7-6-4-2-1-3-5-6;/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20);2-5H,7H2;/p+1"	C1=CC(=CC=C1N)[Hg].C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=[SH+])N	JGAZLYOZPUSVQV-UHFFFAOYSA-O
DG68557	"Mercury, (2-hydroxy-5-nitrophenyl)(6-thioguanosinato-N7,S6)-"	135403618	"NSC321239; Mercury, (2-hydroxy-5-nitrophenyl)(6-thioguanosinato-N7,S6)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	321239	.	.	.	.	639	C16H18HgN6O7S+	236	714	.	31	7	9	3	"InChI=1S/C10H13N5O4S.C6H4NO3.Hg/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9;8-6-3-1-5(2-4-6)7(9)10;/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20);1-3,8H;/p+1"	C1=CC(=C(C=C1[N+](=O)[O-])[Hg])O.C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=[SH+])N	HNLITCHWSURNAC-UHFFFAOYSA-O
DG68558	"((4,5-Diamino-6-hydroxy-2-pyrimidinyl)thio)acetic acid"	135403619	"NSC339127; NSC-339127; NCIStruc1_000862; NCIStruc2_000786; CHEMBL1742221; ZINC8602478; CCG-37555; NCGC00014781; NCI339127; NCGC00014781-02; NCGC00097882-01; NCI60_002997; ((4,5-diamino-6-hydroxy-2-pyrimidinyl)thio)acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339127	.	.	.	.	216.22	C6H8N4O3S	156	349	-1.1	14	4	7	3	"InChI=1S/C6H8N4O3S/c7-3-4(8)9-6(10-5(3)13)14-1-2(11)12/h1,7H2,(H,11,12)(H3,8,9,10,13)"	C(C(=O)O)SC1=NC(=C(C(=O)N1)N)N	ZAGRWEOGHJROGH-UHFFFAOYSA-N
DG68559	"Palladate(2-), dichlorobis(6H-purine-6-thionato-N7,S6)-, disodium"	135403629	"NSC51857; CCG-37471; Palladate(2-), dichlorobis(6H-purine-6-thionato-N7,S6)-, disodium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51857	.	.	.	.	483.7	C10H10Cl2N8PdS2+2	170	452	.	23	6	4	0	"InChI=1S/2C5H4N4S.2ClH.Pd/c2*10-5-3-4(7-1-6-3)8-2-9-5;;;/h2*1-2H,(H2,6,7,8,9,10);2*1H;/q;;;;+2"	C1=NC2=C(N1)N=CNC2=[SH+].C1=NC2=C(N1)N=CNC2=[SH+].Cl[Pd]Cl	ZTGIRWUHOBIPKN-UHFFFAOYSA-N
DG68560	"2,6-diamino-5-(1H-imidazol-1-ylmethyl)-4-pyrimidinol"	135403641	"NSC87450; NSC-87450; NCIStruc1_000761; NCIStruc2_000628; CHEMBL1607731; NCI87450; ZINC8582224; CCG-38212; NCGC00013915; NCGC00013915-02; NCGC00097024-01; NCI60_041932; 2,6-diamino-5-(1H-imidazol-1-ylmethyl)-4-pyrimidinol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87450	.	.	.	.	206.21	C8H10N6O	111	347	-2.1	15	3	4	2	"InChI=1S/C8H10N6O/c9-6-5(3-14-2-1-11-4-14)7(15)13-8(10)12-6/h1-2,4H,3H2,(H5,9,10,12,13,15)"	C1=CN(C=N1)CC2=C(N=C(NC2=O)N)N	NVBKABPAJGUMCE-UHFFFAOYSA-N
DG68561	8-Azaguanine	135403646	"8-AZAGUANINE; 134-58-7; Azaguanine-8; Guanazolo; Azaguanine; Pathocidine; Guanazol; Pathocidin; Triazologuanine; Azan; 8 AG; NSC-749; SK 1150; 5-Amino-1H-v-triazolo(d)pyrimidin-7-ol; AZG; 5-Amino-7-hydroxy-1H-v-triazolo(d)pyrimidine; SF-337; 5-amino-2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one; 7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 5-amino-1,4-dihydro-; CHEBI:63486; 5-Amino-1,6-dihydro-7H-v-triazolo(4,5-d)pyrimidin-7-one; 5-Amino-1H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one; 5-Amino-1,4-dihydro-7H-1,2,3-triazolo(4,5-d)pyrimidin-7-one; 5-amino-1H-triazolo[4,5-d]pyrimidin-7-ol; 5-Amino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol; C4H4N6O; NSC 223526; NSC749; 2-Amino-6-hydroxy-8-azapurine; B-28; AZAGUANINE,8; UNII-Q150359I72; v-Triazolo(4,5-d)pyrimidin-7-ol, 5-amino-; MFCD00056937; MLS001074752; 3-amino-2,4,7,8,9-pentazabicyclo[4.3.0]nona-1,3,6-trien-5-one; 5-Amino-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one; 7H-1,2,3-Triazolo(4,5-d)pyrimidin-7-one, 5-amino-1,4-dihydro-; NSC223526; 1850358-61-0; 5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL; SMR000112575; 7H-v-Triazolo(4,5-d)pyrimidin-7-one, 5-amino-1,6-dihydro-; 5-Amino-1H-triazolo(4,5-d)pyrimidin-7-ol; Q150359I72; v-Triazolo[4, 5-amino-; 5-Amino-1H-[1,2,3]triazolo-[4,5-d]pyrimidin-7(6H)-one; WLN: T56 BNNM FVM INJ HZ; 5-AMINO-3,6-DIHYDRO-(1,2,3)TRIAZOLO(4,5-D)PYRIMIDIN-7-ONE; 2-Amino-6-oxy-8-azapurine; 7H-v-Triazolo[4, 5-amino-1,6-dihydro-; CCRIS 2758; 8-AzaG; NSC 749; EINECS 205-148-1; 7H-1,3-Triazolo[4,5-d]pyrimidin-7-one, 5-amino-1,4-dihydro-; AI3-25015; 8-azaguanin; Azaguanine, 8; Prestwick_40; Prestwick0_000001; Prestwick1_000001; Prestwick2_000001; Prestwick3_000001; Epitope ID:167837; NCIMech_000065; cid_8646; Oprea1_163604; Oprea1_695327; Oprea1_862850; SCHEMBL26816; BSPBio_000001; 5-amino-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one; SPBio_001922; BPBio1_000003; CHEMBL374107; DTXSID0074508; SCHEMBL16056969; BDBM96998; HMS1568A03; HMS2095A03; HMS2269M18; HMS3652J09; HMS3712A03; ML068; 5-imino-4,6-dihydro-3H-1,2,3-triazolo[5,4-d]pyrimidin-7-one; 7H-1,2,3-Triazolo(4,5-d)pyrimidinone, 5-amino-1,4-dihydro-; ALBB-023426; HY-B1468; BDBM50465709; CCG-35353; s4194; STK961684; ZINC96321491; AKOS002271137; AKOS003382261; AKOS006223655; AKOS015854480; AKOS026750385; CCG-220001; DB01667; MCULE-1863790805; NSC-223526; s11846; NCGC00016399-01; NCGC00188264-01; DS-16103; NCI60_041639; SY052313; A0625; CS-0013169; FT-0621501; SW196356-3; A16415; 134A587; 2-(2,4-dimethylphenoxy)acetic acid;Azaguanine-8; A806807; AP-770/40205766; SR-01000763820; 5-amino-3,6-dihydrotriazolo[4,5-d]pyrimidin-7-one; Q-200564; Q4644262; SR-01000763820-2; 3H-1,2,3-triazolo[4,5-d]pyrimidin-7-ol, 5-amino-; 5-amino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one; 5-amino-2H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one; 5-azanyl-2,3-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one; {7H-v-Triazolo[4,5-d]pyrimidin-7-one,} 5-amino-1, 6-dihydro-; 5-Amino-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one #; 7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one, 5-amino-3,6-dihydro-; {7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one,} 5-amino-1,4-dihydro-; 5-imino-3,4,5,6-tetrahydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one; 7H-1,2,3-Triazolo(4,5-d)pyrimidin-7-one, 5-amino-1,4-dihydro- (9CI); 8-Azaguanine, Hybri-Max(TM), gamma-irradiated, powder, BioXtra, suitable for hybridoma"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749	.	.	.	.	152.11	C4H4N6O	109	225	-1.5	11	3	4	0	"InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11)"	C12=NNN=C1N=C(NC2=O)N	LPXQRXLUHJKZIE-UHFFFAOYSA-N
DG68562	"2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one"	135403797	"2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one; MLS000738105; SMR000393869; CHEMBL66953; CHEBI:8647; NSC35676; NSC646653; 2,3,4,6-Tetrahydroxy-5H-benzo[a]cyclohepten-5-one; 5H-Benzocyclohepten-5-one, 2,3,4,6-tetrahydroxy-; SR-01000759730; Hit compound, 2; Spectrum_000348; SpecPlus_000311; Spectrum2_000582; Spectrum3_000692; Spectrum4_001547; Spectrum5_000114; Oprea1_685478; SCHEMBL33853; BSPBio_002443; KBioGR_002014; KBioSS_000828; SPECTRUM210505; DivK1c_006407; SPBio_000424; BDBM50647; cid_5281571; KBio1_001351; KBio2_000828; KBio2_003396; KBio2_005964; KBio3_001663; HMS1923C07; HMS2764L19; KUC106430N; ALBB-023660; BBL027451; BDBM50088360; CCG-38505; NSC-35676; STL372771; ZINC13132551; AKOS000276797; FS-5462; KSC-12-239; MCULE-5310309390; NSC-646653; SDCCGMLS-0066536.P001; NCGC00095229-01; NCGC00095229-02; NCGC00095229-03; NCGC00095229-04; NCGC00178652-01; 2,3,4,5-tetrahydroxy-6-benzo[7]annulenone; 2,3,4,5-tetrahydroxybenzocyclohepten-6-one; 2,3,4,6-tetrahydroxybenzo[7]annulen-5-one; FT-0632410; C09964; 5H-Benzocyclohepten-5-one,3,4,6-tetrahydroxy-; 2,3,4,5-tetrakis(oxidanyl)benzo[7]annulen-6-one; SR-01000759730-2; SR-01000759730-3; BRD-K31023358-001-02-4; BRD-K31023358-001-06-5; BRD-K31023358-001-10-7; BRD-K31023358-001-16-4; 2,3,4,6-Tetrahydroxy-5H-benzo[a]cyclohepten-5-one #; (6E,8Z)-2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35676	.	.	.	.	220.18	C11H8O5	98	359	2.1	16	4	5	0	"InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)"	C1=CC2=CC(=C(C(=C2C(=O)C(=C1)O)O)O)O	WDGFFVCWBZVLCE-UHFFFAOYSA-N
DG68563	"1H,3H-Imidazo[2,1-c][1,2,4]thiadiazole-3-thione, 5,6-dihydro-"	135405388	"562075-34-7; GCHCAFIIXGRBLS-UHFFFAOYSA-; DTXSID00447976; 1H,3H-Imidazo[2,1-c][1,2,4]thiadiazole-3-thione, 5,6-dihydro-; NSC725856; NSC-725856; 3,4,5,6-Tetrahydro-1,3a,6-triaza-2-thiapentalene-3-thione; 6,7-dihydro-5h-imidazo[2,1-c][1,2,4]thiadiazole-3-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	725856	.	.	.	.	159.2	C4H5N3S2	85	188	0.3	9	1	3	0	"InChI=1S/C4H5N3S2/c8-4-7-2-1-5-3(7)6-9-4/h1-2H2,(H,5,6)"	C1CN2C(=NSC2=S)N1	GCHCAFIIXGRBLS-UHFFFAOYSA-N
DG68564	2-Chloro-3-(2-butoxyethoxy)naphthazarin	135406263	NSC661415; 2-Chloro-3-(2-butoxyethoxy)naphthazarin; CHEMBL2005916; NSC-661415; NCI60_021384	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661415	.	.	.	.	340.75	C16H17ClO6	93.1	489	4	23	2	6	7	"InChI=1S/C16H17ClO6/c1-2-3-6-22-7-8-23-16-13(17)14(20)11-9(18)4-5-10(19)12(11)15(16)21/h4-5,18-19H,2-3,6-8H2,1H3"	CCCCOCCOC1=C(C(=O)C2=C(C=CC(=C2C1=O)O)O)Cl	KDIWHPWBVKZOQU-UHFFFAOYSA-N
DG68565	"3-(4-Methylphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine"	135406287	NSC621495; CHEMBL1980277; ZINC1616420; NSC-621495; NCI60_006303	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621495	.	.	.	.	267.28	C15H13N3O2	76.9	333	0.9	20	1	3	1	"InChI=1S/C15H13N3O2/c1-10-6-8-11(9-7-10)14-15(16)18(20)13-5-3-2-4-12(13)17(14)19/h2-9H,16H2,1H3"	CC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3[N+](=C2N)[O-])[O-]	KRFLIRADUCKBDO-UHFFFAOYSA-N
DG68566	NSC683326	135406861	"N-[6,7-dibromo-20-(hydroxyamino)-2,11-dioxa-18,21-diazatetracyclo[20.4.0.04,9.012,17]hexacosa-1(26),4,6,8,12,14,16,18,20,22,24-undecaen-19-yl]hydroxylamine; NSC683326; CHEMBL1971288; ZINC8665824; NSC-683326; NCI60_029850; N-[dibromo-(hydroxyamino)[ ]yl]hydroxylamine; 16,17-Dibromo-6,7-bis(hydroxyamino)-14,19-dihydrotribenzo[b,h,l][1,10,4,7]dioxadiazacyclotetradecine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683326	.	.	.	.	562.2	C22H18Br2N4O4	108	626	5	32	4	6	2	"InChI=1S/C22H18Br2N4O4/c23-15-9-13-11-31-19-7-3-1-5-17(19)25-21(27-29)22(28-30)26-18-6-2-4-8-20(18)32-12-14(13)10-16(15)24/h1-10,29-30H,11-12H2,(H,25,27)(H,26,28)"	C1C2=CC(=C(C=C2COC3=CC=CC=C3N=C(C(=NC4=CC=CC=C4O1)NO)NO)Br)Br	HEKCLUAZHSBFCB-UHFFFAOYSA-N
DG68567	"7-Anilino-5-(benzylamino)-3-phenyl-1,4-thiazepine-6-carbonitrile"	135408097	"NSC693234; CHEMBL1966321; 7-Anilino-5-(benzylamino)-3-phenyl-1,4-thiazepine-6-carbonitrile; NSC-693234; NCI60_033417"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693234	.	.	.	.	408.5	C25H20N4S	85.5	711	5.7	30	2	4	5	"InChI=1S/C25H20N4S/c26-16-22-24(27-17-19-10-4-1-5-11-19)29-23(20-12-6-2-7-13-20)18-30-25(22)28-21-14-8-3-9-15-21/h1-15,18,28H,17H2,(H,27,29)"	C1=CC=C(C=C1)CN=C2C(=C(SC=C(N2)C3=CC=CC=C3)NC4=CC=CC=C4)C#N	CIEQHAQRCYREHQ-UHFFFAOYSA-N
DG68568	2-(2-Naphthyl)quinazoline-4(3H)-one	135408138	NSC690277; CHEMBL18847; SCHEMBL4505299; NSC-690277; 2-(2-Naphthyl)quinazoline-4(3H)-one; NCI60_032448	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690277	.	.	.	.	272.3	C18H12N2O	41.5	445	3.6	21	1	2	1	"InChI=1S/C18H12N2O/c21-18-15-7-3-4-8-16(15)19-17(20-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,19,20,21)"	C1=CC=C2C=C(C=CC2=C1)C3=NC4=CC=CC=C4C(=O)N3	XTMWMJDTSKFKCW-UHFFFAOYSA-N
DG68569	"4-Hydroxy-3-(3-hydroxy-1,2,4-triazin-6-yl)-6-methylquinolin-2(1H)-one"	135408193	"NSC666115; CHEMBL1999850; ZINC18178287; NSC-666115; NCI60_022935; 4-hydroxy-3-(3-hydroxy-1,2,4-triazin-6-yl)-6-methyl-1H-quinolin-2-one; 4-Hydroxy-3-(3-hydroxy-1,2,4-triazin-6-yl)-6-methylquinolin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666115	.	.	.	.	270.24	C13H10N4O3	103	564	0.3	20	3	4	1	"InChI=1S/C13H10N4O3/c1-6-2-3-8-7(4-6)11(18)10(12(19)15-8)9-5-14-13(20)17-16-9/h2-5H,1H3,(H,14,17,20)(H2,15,18,19)"	CC1=CC2=C(C=C1)NC(=O)C(=C2O)C3=NNC(=O)N=C3	DRJWMQHFKFQSJE-UHFFFAOYSA-N
DG68570	8-chloro-2-cyclohexyl-3H-quinazolin-4-one	135408204	NSC627405; CHEMBL1969657; NSC-627405; NCI60_008725	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627405	.	.	.	.	262.73	C14H15ClN2O	41.5	363	3.4	18	1	2	1	"InChI=1S/C14H15ClN2O/c15-11-8-4-7-10-12(11)16-13(17-14(10)18)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,16,17,18)"	C1CCC(CC1)C2=NC3=C(C=CC=C3Cl)C(=O)N2	BBCWMQLQTZUCOF-UHFFFAOYSA-N
DG68571	"5-amino-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H-triazolo[4,5-d]pyrimidin-7-one"	135408506	"DTXSID20943884; 2133-80-4; 5-amino-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H-triazolo[4,5-d]pyrimidin-7-one; NSC46788; NSC-46788; NSC130283; AB69415; NSC-130283; DS-005988; 5-Imino-3-pentofuranosyl-4,5-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol; 7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one,5-amino-3,4-dihydro-3-b-d-ribofuranosyl-; 1260595-79-6; 5-AMINO-3-((2R,3R,4S,5S)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL)-3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7(6H)-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	46788	.	.	.	.	284.23	C9H12N6O5	168	447	-3.1	20	5	8	2	"InChI=1S/C9H12N6O5/c10-9-11-6-3(7(19)12-9)13-14-15(6)8-5(18)4(17)2(1-16)20-8/h2,4-5,8,16-18H,1H2,(H3,10,11,12,19)"	C(C1C(C(C(O1)N2C3=C(C(=O)NC(=N3)N)N=N2)O)O)O	QOVIBFFZCVPCEI-UHFFFAOYSA-N
DG68572	Prodigiosin	135408511	"Prodigiosin; Prodigiosine; UNII-OL369FU7CJ; NSC47147; OL369FU7CJ; 4-Methoxy-5-((5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl)-2,2'-bipyrrole; 82-89-3; NSC 47147; 2,2'-BIPYRROLE, 4-METHOXY-5-((5-METHYL-4-PENTYL-2H-PYRROL-2-YLIDENE)METHYL)-; MLS000736622; BRN 4526727; 2,2'-bi-1H-Pyrrole, 4-methoxy-5-((5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl)-; 5-26-03-00352 (Beilstein Handbook Reference); SCHEMBL147407; SCHEMBL147409; CHEMBL1996518; SCHEMBL23306421; BCP28541; NSC-47147; ZINC31356954; HY-100711; CS-0020059; C21565; 2, 4-methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl]-; (e)-4-methoxy-5-((5-methyl-4-pentyl-2h-pyrrol-2-ylidene)methyl)-2,2'-bi(1h-pyrrole); 2,2'-Bi-1H-pyrrole, 4-methoxy-5-((5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl)- (9CI); 2,2'-Bi-1H-pyrrole,4-methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl]-; 2,2'-Bipyrrole, 4-methoxy-5-((5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl)-(VAN) (8CI); 4-Methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl], 2,2'bipyrrole; (5E)-5-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylene]-2-methyl-3-pentyl-pyrrole; 2,2'-Bipyrrole, 4-methoxy-5-((5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl)- (VAN) (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	47147	.	.	.	.	323.4	C20H25N3O	53.2	523	4.5	24	2	2	7	"InChI=1S/C20H25N3O/c1-4-5-6-8-15-11-16(22-14(15)2)12-19-20(24-3)13-18(23-19)17-9-7-10-21-17/h7,9-13,21-22H,4-6,8H2,1-3H3/b19-12+"	CCCCCC1=C(NC(=C1)/C=C/2\\C(=CC(=N2)C3=CC=CN3)OC)C	SHUNBVWMKSXXOM-XDHOZWIPSA-N
DG68573	"1-N',2-N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]ethanediimidamide"	135408516	NSC47468; NSC-47468	.	.	Investigative Drug(s)	Investigative	Small molecular drug	47468	.	.	.	.	324.34	C16H16N6O2	142	455	1.6	24	4	6	5	"InChI=1S/C16H16N6O2/c17-15(21-19-9-11-1-5-13(23)6-2-11)16(18)22-20-10-12-3-7-14(24)8-4-12/h1-10,23-24H,(H2,17,21)(H2,18,22)/b19-9-,20-10-"	C1=CC(=CC=C1/C=N\\N=C(/C(=N/N=C\\C2=CC=C(C=C2)O)/N)\\N)O	WPZNUCNQTDZZEK-QJUDHZBZSA-N
DG68574	1-[(Z)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-3-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea	135408530	6638-52-4; 1-[(Z)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-3-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea; NSC48238; NSC-48238; ZINC83329751	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48238	.	.	.	.	367.2	C15H12Cl2N4O3	106	438	3.2	24	4	5	4	"InChI=1S/C15H12Cl2N4O3/c16-11-1-3-13(22)9(5-11)7-18-20-15(24)21-19-8-10-6-12(17)2-4-14(10)23/h1-8,22-23H,(H2,20,21,24)/b18-7-,19-8+"	C1=CC(=C(C=C1Cl)/C=N/NC(=O)N/N=C\\C2=C(C=CC(=C2)Cl)O)O	GVQSCQWJYFUCAD-CLLFQMGYSA-N
DG68575	1-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]urea	135408532	NSC48241; NSC-48241; ZINC103293499	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48241	.	.	.	.	386.4	C19H22N4O5	125	487	2.6	28	4	7	8	"InChI=1S/C19H22N4O5/c1-3-27-17-9-13(5-7-15(17)24)11-20-22-19(26)23-21-12-14-6-8-16(25)18(10-14)28-4-2/h5-12,24-25H,3-4H2,1-2H3,(H2,22,23,26)/b20-11-,21-12+"	CCOC1=C(C=CC(=C1)/C=N/NC(=O)N/N=C\\C2=CC(=C(C=C2)O)OCC)O	RPHOHFJYJKFTJR-WELBJSHPSA-N
DG68576	Streptovaricin A	135408540	"Streptovaricin A; Streptovaricin complex, fraction a; NSC-48810; NSC48810; NSC189793; 23344-16-3; 6,24a-Dimethano-24aH-m-dioxino[4,5,6-st][4]benzazacycloheneicosine-7,11,26(10H,16H)-trione, 17,18,19,20,21,22,23,24-octahydro-5,16,17,19,20,21,25-heptahydroxy-24-(2-hydroxypropenyl)-23-methoxy-4,8,12,16,18,22,24-heptamethyl-, 21,24-diacetate; NSC-189793; 6,24a-Dimethano-24aH-m-dioxino[4,5,6-st][4]benzazacycloheneicosine-7,11,26(10H,16H)-trione, 17,18,19,20,21,22,23,24-octahydro-5,16,17,19,20,21,25-heptahydroxy-24-(2-hydroxypropenyl)-23-methoxy-4,8,12,16,18,22,24-heptamethyl-,21,24-diacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	189793	.	.	.	.	827.9	C42H53NO16	265	1850	1.8	59	7	16	6	"InChI=1S/C42H53NO16/c1-17-13-12-14-41(9,53)37(49)21(5)31(47)28(40(52)55-11)36(59-24(8)45)22(6)38(50)42(10,54)15-18(2)33-27-25-26(30(46)20(4)34(27)57-16-56-33)32(48)29(43-39(17)51)19(3)35(25)58-23(7)44/h12-15,21-22,28,31,36-38,47-50,53-54H,16H2,1-11H3,(H,43,51)/b14-12-,17-13 ,18-15 /t21-,22-,28+,31+,36+,37-,38+,41-,42+/m0/s1"	C[C@H]1[C@H]([C@H]([C@@H]([C@@H]([C@H]([C@](C=C(C2=C3C4=C(C(=C(C(=C4C(=O)C(=C3OCO2)C)O)NC(=O)C(=C/C=C\\[C@]([C@H]1O)(C)O)C)C)OC(=O)C)C)(C)O)O)C)OC(=O)C)C(=O)OC)O	DAQTVVQVNADAHI-JKSDWACGSA-N
DG68577	"N,N'-bis[(Z)-(2-hydroxyphenyl)methylideneamino]decanediamide"	135408549	NSC49488; ZINC8756569; NSC-49488	.	.	Investigative Drug(s)	Investigative	Small molecular drug	49488	.	.	.	.	438.5	C24H30N4O4	123	559	4.2	32	4	6	13	"InChI=1S/C24H30N4O4/c29-21-13-9-7-11-19(21)17-25-27-23(31)15-5-3-1-2-4-6-16-24(32)28-26-18-20-12-8-10-14-22(20)30/h7-14,17-18,29-30H,1-6,15-16H2,(H,27,31)(H,28,32)/b25-17-,26-18-"	C1=CC=C(C(=C1)/C=N\\NC(=O)CCCCCCCCC(=O)N/N=C\\C2=CC=CC=C2O)O	FAGCLRMEOSNCKD-MFYXSQMNSA-N
DG68578	"N,N'-bis[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]decanediamide"	135408550	NSC49490; NSC-49490; ZINC16990612; AKOS000545388	.	.	Investigative Drug(s)	Investigative	Small molecular drug	49490	.	.	.	.	507.4	C24H28Cl2N4O4	123	623	5.4	34	4	6	13	"InChI=1S/C24H28Cl2N4O4/c25-19-9-11-21(31)17(13-19)15-27-29-23(33)7-5-3-1-2-4-6-8-24(34)30-28-16-18-14-20(26)10-12-22(18)32/h9-16,31-32H,1-8H2,(H,29,33)(H,30,34)/b27-15-,28-16-"	C1=CC(=C(C=C1Cl)/C=N\\NC(=O)CCCCCCCCC(=O)N/N=C\\C2=C(C=CC(=C2)Cl)O)O	BHAPPEFYHBANSQ-USYBVIFISA-N
DG68579	Adipic acid bis(N'-salicylidene hydrazide)	135408551	MLS002667267; 5287-26-3; NSC49495; ZINC1681390; NSC-49495; Adipic acid bis(N'-salicylidene hydrazide)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	49495	.	.	.	.	382.4	C20H22N4O4	123	504	2	28	4	6	9	"InChI=1S/C20H22N4O4/c25-17-9-3-1-7-15(17)13-21-23-19(27)11-5-6-12-20(28)24-22-14-16-8-2-4-10-18(16)26/h1-4,7-10,13-14,25-26H,5-6,11-12H2,(H,23,27)(H,24,28)/b21-13-,22-14-"	C1=CC=C(C(=C1)/C=N\\NC(=O)CCCCC(=O)N/N=C\\C2=CC=CC=C2O)O	JLZRXDKIRXEOIZ-JZTLMNBPSA-N
DG68580	1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea	135408564	MLS002667404; NSC50827; ZINC8616989; NSC-50827; 6327-27-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50827	.	.	.	.	314.4	C15H14N4O2S	121	380	2.5	22	4	5	4	"InChI=1S/C15H14N4O2S/c20-13-7-3-1-5-11(13)9-16-18-15(22)19-17-10-12-6-2-4-8-14(12)21/h1-10,20-21H,(H2,18,19,22)/b16-9-,17-10+"	C1=CC=C(C(=C1)/C=N/NC(=S)N/N=C\\C2=CC=CC=C2O)O	IPCADHRTCDSGLW-ZAGBYUSBSA-N
DG68581	2-Hydroxy-1-naphthaldehyde (5-nitro-2-pyridyl)hydrazone	135408599	"28058-35-7; NSC 52426; BRN 0438201; NSC52426; 2-Hydroxy-1-naphthaldehyde (5-nitro-2-pyridyl)hydrazone; 1-Naphthaldehyde, 2-hydroxy-, (5-nitro-2-pyridyl)hydrazone; ZINC4721869; NSC-52426"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	52426	.	.	.	.	308.29	C16H12N4O3	103	440	3.5	23	2	6	3	"InChI=1S/C16H12N4O3/c21-15-7-5-11-3-1-2-4-13(11)14(15)10-18-19-16-8-6-12(9-17-16)20(22)23/h1-10,21H,(H,17,19)/b18-10+"	C1=CC=C2C(=C1)C=CC(=C2/C=N/NC3=NC=C(C=C3)[N+](=O)[O-])O	HGHRJXYLWZISLR-VCHYOVAHSA-N
DG68582	5-Bromosalicylaldehyde (5-nitro-2-pyridyl)hydrazone	135408600	"28058-30-2; MLS002667529; BRN 0426897; 5-Bromosalicylaldehyde (5-nitro-2-pyridyl)hydrazone; Salicylaldehyde, 5-bromo-, (5-nitro-2-pyridyl)hydrazone; NSC52427; ZINC6615048; NSC 52427; NSC-52427"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	52427	.	.	.	.	337.13	C12H9BrN4O3	103	363	3	20	2	6	3	"InChI=1S/C12H9BrN4O3/c13-9-1-3-11(18)8(5-9)6-15-16-12-4-2-10(7-14-12)17(19)20/h1-7,18H,(H,14,16)/b15-6-"	C1=CC(=C(C=C1Br)/C=N\\NC2=NC=C(C=C2)[N+](=O)[O-])O	ZQIADEYGHBCJQP-UUASQNMZSA-N
DG68583	"N,N'-Bis(salicylideneamino)oxamide"	135408610	"5287-25-2; MLS002667579; N,N'-Bis(salicylideneamino)oxamide; NSC53327; ZINC1684448; NSC-53327"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	53327	.	.	.	.	326.31	C16H14N4O4	123	451	1.8	24	4	6	4	"InChI=1S/C16H14N4O4/c21-13-7-3-1-5-11(13)9-17-19-15(23)16(24)20-18-10-12-6-2-4-8-14(12)22/h1-10,21-22H,(H,19,23)(H,20,24)/b17-9-,18-10-"	C1=CC=C(C(=C1)/C=N\\NC(=O)C(=O)N/N=C\\C2=CC=CC=C2O)O	PUMOTLVCXKMSQH-XFQWXJFMSA-N
DG68584	"N'-[1-(2,4-dihydroxyphenyl)ethylidene]isonicotinohydrazide"	135408621	"N'-[1-(2,4-dihydroxyphenyl)ethylidene]isonicotinohydrazide; MLS002667644; NSC54042; CHEMBL2261893; 792-38-1; NSC-54042; ZINC95483004; AKOS003410800"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54042	.	.	.	.	271.27	C14H13N3O3	94.8	367	1.3	20	3	5	3	"InChI=1S/C14H13N3O3/c1-9(12-3-2-11(18)8-13(12)19)16-17-14(20)10-4-6-15-7-5-10/h2-8,18-19H,1H3,(H,17,20)/b16-9+"	C/C(=N\\NC(=O)C1=CC=NC=C1)/C2=C(C=C(C=C2)O)O	FLYFTBZHRIAXCH-CXUHLZMHSA-N
DG68585	N'-[1-(1-hydroxynaphthalen-2-yl)ethylidene]pyridine-4-carbohydrazide	135408622	NSC54044; NSC-54044; MLS002702859; SCHEMBL1678977; SCHEMBL8738882; CHEMBL1526658; SCHEMBL17483824; NCI54044; CCG-36687; NCGC00013663; STK094990; ZINC12671820; NCGC00013663-02; NCGC00096775-01; N'-[(1E)-1-(1-hydroxynaphthalen-2-yl)ethylidene]pyridine-4-carbohydrazide; N'-[1-(1-hydroxynaphthalen-2-yl)ethylidene]pyridine-4-carbohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54044	.	.	.	.	305.3	C18H15N3O2	74.6	446	2.9	23	2	4	3	"InChI=1S/C18H15N3O2/c1-12(20-21-18(23)14-8-10-19-11-9-14)15-7-6-13-4-2-3-5-16(13)17(15)22/h2-11,22H,1H3,(H,21,23)/b20-12+"	C/C(=N\\NC(=O)C1=CC=NC=C1)/C2=C(C3=CC=CC=C3C=C2)O	WTXWEZCDRDKRNU-UDWIEESQSA-N
DG68586	"N-[(E)-1-(2,3,4-trihydroxyphenyl)decylideneamino]pyridine-4-carboxamide"	135408642	NSC54690; NSC-54690; ZINC104376900	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54690	.	.	.	.	399.5	C22H29N3O4	115	508	5	29	4	6	11	"InChI=1S/C22H29N3O4/c1-2-3-4-5-6-7-8-9-18(17-10-11-19(26)21(28)20(17)27)24-25-22(29)16-12-14-23-15-13-16/h10-15,26-28H,2-9H2,1H3,(H,25,29)/b24-18+"	CCCCCCCCC/C(=N\\NC(=O)C1=CC=NC=C1)/C2=C(C(=C(C=C2)O)O)O	LGDNABUDFVHCBN-HKOYGPOVSA-N
DG68587	3-Nitro-benzoic acid (2-hydroxy-benzylidene)-hydrazide	135408681	"MLS002667988; 82859-78-7; Benzoic acid,m-nitro-,salicylidenehydrazide; 3-Nitro-benzoic acid (2-hydroxy-benzylidene)-hydrazide; NSC58539; SMR001557740; Benzoic acid, m-nitro-, salicylidenehydrazide; CHEMBL1988990; SCHEMBL12746264; SCHEMBL14949051; BDBM88808; cid_5750429; Benzoic acid, salicylidenehydrazide; NSC-58539; STK099483; ZINC17315920; AKOS000489120; MCULE-9820736315; AB00722971-01; AB00722971-02; N'-(2-hydroxybenzylidene)-3-nitrobenzohydrazide; N'-[(E)-(2-hydroxyphenyl)methylidene]-3-nitrobenzohydrazide; 3-nitro-N''-[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]benzohydrazide; 3-nitro-N''-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzohydrazide; 3-nitro-N''-[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]benzohydrazide; N''-[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]-3-nitro-benzohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58539	.	.	.	.	285.25	C14H11N3O4	108	408	2.3	21	2	5	3	"InChI=1S/C14H11N3O4/c18-13-7-2-1-4-11(13)9-15-16-14(19)10-5-3-6-12(8-10)17(20)21/h1-9,18H,(H,16,19)/b15-9+"	C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])O	RMHSVTCXLRMIRJ-OQLLNIDSSA-N
DG68588	"2-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-1,2,4,5,6,7-hexahydro-3H-indazol-3-one"	135408826	"2-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-1,2,4,5,6,7-hexahydro-3H-indazol-3-one; NSC680675; MLS000549352; 210417-29-1; SMR000168935; cid_387161; CHEMBL1548196; BDBM75621; HMS2382K13; 2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one; AKOS005102229; ZINC100559285; MCULE-4164646335; NSC-680675; 2-(4-Hydroxy-6-methyl-2-pyrimidinyl)-1,2,4,5,6,7-hexahydro-3H-indazol-3-one; NCI60_028756; 8W-0228; SR-01000307455; SR-01000307455-1; 2-(4-hydroxy-6-methyl-pyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one; 2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one; 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one; 2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one; 2-[(3-Oxo-2,3,4,5,6,7-hexahydro-1H-indazole)-2-yl]-6-methylpyrimidine-4(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680675	.	.	.	.	246.27	C12H14N4O2	73.8	530	0.8	18	2	4	1	"InChI=1S/C12H14N4O2/c1-7-6-10(17)14-12(13-7)16-11(18)8-4-2-3-5-9(8)15-16/h6,15H,2-5H2,1H3,(H,13,14,17)"	CC1=CC(=O)NC(=N1)N2C(=O)C3=C(N2)CCCC3	ZIRMOHZKJYUEBC-UHFFFAOYSA-N
DG68589	"6-Phenyl-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrrolo[3,2-e][1,2,4]triazin-3-one"	135408947	"NSC647463; CHEMBL1976791; NSC-647463; 6-Phenyl-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrrolo[3,2-e][1,2,4]triazin-3-one; NCI60_016491; 6-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrrolo[3,2-e][1,2,4]triazin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647463	.	.	.	.	391.6	C17H9Cl3N4O	57.1	644	4.3	25	1	2	2	"InChI=1S/C17H9Cl3N4O/c18-10-6-11(19)15(12(20)7-10)24-17(25)22-14-8-13(21-16(14)23-24)9-4-2-1-3-5-9/h1-8H,(H,21,23)"	C1=CC=C(C=C1)C2=CC3=NC(=O)N(N=C3N2)C4=C(C=C(C=C4Cl)Cl)Cl	MKUKQTWFQRECAI-UHFFFAOYSA-N
DG68590	"[4,5-diacetoxy-6-(6-methyl-2-methylsulfanyl-4,7-dioxo-3H-pteridin-8-yl)tetrahydropyran-3-yl] acetate"	135408971	"NSC650998; CHEMBL1973605; NSC-650998; NCI60_017832; [4,5-diacetoxy-6-(6-methyl-2-methylsulfanyl-4,7-dioxo-3H-pteridin-8-yl)tetrahydropyran-3-yl] acetate; Acetic acid 4,5-diacetoxy-2-(6-methyl-2-methylsulfanyl-4,7-dioxo-3,7-dihydro-4H-pteridin-8-yl)-tetrahydro-pyran-3-yl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650998	.	.	.	.	482.5	C19H22N4O9S	188	1010	-0.8	33	1	12	8	"InChI=1S/C19H22N4O9S/c1-7-17(28)23(15-12(20-7)16(27)22-19(21-15)33-5)18-14(32-10(4)26)13(31-9(3)25)11(6-29-18)30-8(2)24/h11,13-14,18H,6H2,1-5H3,(H,21,22,27)"	CC1=NC2=C(N=C(NC2=O)SC)N(C1=O)C3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C	OCGCRXHKNHZQSV-UHFFFAOYSA-N
DG68591	"6-(5-Nitro-2-furyl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine 2,2-dioxide"	135408995	"NSC652585; SCHEMBL562699; CHEMBL2001414; NSC-652585; NCI60_018408; 6-(5-Nitro-2-furyl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine 2,2-dioxide; 6-(5-nitro-2-furyl)-2,2-dioxo-3,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652585	.	.	.	.	298.24	C8H6N6O5S	181	553	-0.5	20	3	8	1	"InChI=1S/C8H6N6O5S/c9-6-5-8(13-20(17,18)12-6)11-7(10-5)3-1-2-4(19-3)14(15)16/h1-2,13H,(H2,9,12)(H,10,11)"	C1=C(OC(=C1)[N+](=O)[O-])C2=NC3=C(N2)C(=NS(=O)(=O)N3)N	MFZIUVRPQNKZFL-UHFFFAOYSA-N
DG68592	2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(2-hydroxyphenyl)-3-azetidinone	135409001	NSC653006; CHEMBL1973336; NSC-653006; 2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(2-hydroxyphenyl)-3-azetidinone; NCI60_018535; 2-chloro-1-[(4-hydroxy-6-methyl-pyrimidin-2-yl)amino]-4-(2-hydroxyphenyl)azetidin-3-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653006	.	.	.	.	320.73	C14H13ClN4O3	94	562	1.4	22	3	5	3	"InChI=1S/C14H13ClN4O3/c1-7-6-10(21)17-14(16-7)18-19-11(12(22)13(19)15)8-4-2-3-5-9(8)20/h2-6,11,13,20H,1H3,(H2,16,17,18,21)"	CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC=CC=C3O	NAEPIZSYQQJLHE-UHFFFAOYSA-N
DG68593	2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(3-hydroxyphenyl)-3-azetidinone	135409003	NSC653008; CHEMBL1971487; NSC-653008; 2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(3-hydroxyphenyl)-3-azetidinone; NCI60_018537; 2-chloro-1-[(4-hydroxy-6-methyl-pyrimidin-2-yl)amino]-4-(3-hydroxyphenyl)azetidin-3-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653008	.	.	.	.	320.73	C14H13ClN4O3	94	562	1.4	22	3	5	3	"InChI=1S/C14H13ClN4O3/c1-7-5-10(21)17-14(16-7)18-19-11(12(22)13(19)15)8-3-2-4-9(20)6-8/h2-6,11,13,20H,1H3,(H2,16,17,18,21)"	CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC(=CC=C3)O	GNCILFLYAWIQGW-UHFFFAOYSA-N
DG68594	2-Chloro-1-[(4-hydroxy-6-methyl-pyrimidin-2-yl)amino]-4-(4-nitrophenyl)azetidin-3-one	135409004	NSC653009; CHEMBL1992828; NSC-653009; NCI60_018538; 2-chloro-1-[(4-hydroxy-6-methyl-pyrimidin-2-yl)amino]-4-(4-nitrophenyl)azetidin-3-one; 2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(4-(hydroxy(oxido)amino)phenyl)-3-azetidinone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653009	.	.	.	.	349.73	C14H12ClN5O4	120	636	1.6	24	2	6	3	"InChI=1S/C14H12ClN5O4/c1-7-6-10(21)17-14(16-7)18-19-11(12(22)13(19)15)8-2-4-9(5-3-8)20(23)24/h2-6,11,13H,1H3,(H2,16,17,18,21)"	CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC=C(C=C3)[N+](=O)[O-]	LZCIRNHZRKIXBK-UHFFFAOYSA-N
DG68595	2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(3-(hydroxy(oxido)amino)phenyl)-3-azetidinone	135409005	NSC653010; CHEMBL1969674; NSC-653010; NCI60_018539; 2-chloro-1-[(4-hydroxy-6-methyl-pyrimidin-2-yl)amino]-4-(3-nitrophenyl)azetidin-3-one; 2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(3-(hydroxy(oxido)amino)phenyl)-3-azetidinone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653010	.	.	.	.	349.73	C14H12ClN5O4	120	644	1.6	24	2	6	3	"InChI=1S/C14H12ClN5O4/c1-7-5-10(21)17-14(16-7)18-19-11(12(22)13(19)15)8-3-2-4-9(6-8)20(23)24/h2-6,11,13H,1H3,(H2,16,17,18,21)"	CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC(=CC=C3)[N+](=O)[O-]	HEBFSZRHHAHSIC-UHFFFAOYSA-N
DG68596	2-Chloro-4-(4-chlorophenyl)-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-3-azetidinone	135409006	"NSC653011; CHEMBL1986662; NSC-653011; 2-Chloro-4-(4-chlorophenyl)-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-3-azetidinone; NCI60_018540; 2-chloro-4-(4-chlorophenyl)-1-[(4-hydroxy-6-methyl-pyrimidin-2-yl)amino]azetidin-3-one; 3-Azetidinone, 2-chloro-1-[(6-hydroxy-4-methyl- 2-pyrimidinyl)amino]-4-(4-chlorophenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653011	.	.	.	.	339.2	C14H12Cl2N4O2	73.8	555	2.4	22	2	4	3	"InChI=1S/C14H12Cl2N4O2/c1-7-6-10(21)18-14(17-7)19-20-11(12(22)13(20)16)8-2-4-9(15)5-3-8/h2-6,11,13H,1H3,(H2,17,18,19,21)"	CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC=C(C=C3)Cl	UKZGBTCOHPEUIE-UHFFFAOYSA-N
DG68597	"2-Chloro-4-(3,4-dimethoxyphenyl)-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-3-azetidinone"	135409008	"NSC653013; CHEMBL1996337; NSC-653013; 2-Chloro-4-(3,4-dimethoxyphenyl)-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-3-azetidinone; NCI60_018542; 2-chloro-4-(3,4-dimethoxyphenyl)-1-[(4-hydroxy-6-methyl-pyrimidin-2-yl)amino]azetidin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653013	.	.	.	.	364.78	C16H17ClN4O4	92.3	623	1.7	25	2	6	5	"InChI=1S/C16H17ClN4O4/c1-8-6-12(22)19-16(18-8)20-21-13(14(23)15(21)17)9-4-5-10(24-2)11(7-9)25-3/h4-7,13,15H,1-3H3,(H2,18,19,20,22)"	CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC(=C(C=C3)OC)OC	RGBJJLZMTVPYKT-UHFFFAOYSA-N
DG68598	"2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(3,4,5-trimethoxyphenyl)-3-azetidinone"	135409010	"NSC653015; CHEMBL1975446; NSC-653015; 2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(3,4,5-trimethoxyphenyl)-3-azetidinone; NCI60_018544; 2-chloro-1-[(4-hydroxy-6-methyl-pyrimidin-2-yl)amino]-4-(3,4,5-trimethoxyphenyl)azetidin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653015	.	.	.	.	394.8	C17H19ClN4O5	102	656	1.7	27	2	7	6	"InChI=1S/C17H19ClN4O5/c1-8-5-12(23)20-17(19-8)21-22-13(14(24)16(22)18)9-6-10(25-2)15(27-4)11(7-9)26-3/h5-7,13,16H,1-4H3,(H2,19,20,21,23)"	CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC(=C(C(=C3)OC)OC)OC	MJJGZYDLKPNHOD-UHFFFAOYSA-N
DG68599	"3-Phenyltriazolo[4,5-d]pyrimidine-5,7-dithiol"	135409014	"NSC653245; SCHEMBL9492472; CHEMBL1981086; NSC-653245; NCI60_018597; 3-phenyltriazolo[4,5-d]pyrimidine-5,7-dithiol; 3-Phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dithiol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653245	.	.	.	.	261.3	C10H7N5S2	119	342	1.7	17	2	4	1	"InChI=1S/C10H7N5S2/c16-9-7-8(11-10(17)12-9)15(14-13-7)6-4-2-1-3-5-6/h1-5H,(H2,11,12,16,17)"	C1=CC=C(C=C1)N2C3=C(C(=S)NC(=S)N3)N=N2	OFHZWSGOQOHGKQ-UHFFFAOYSA-N
DG68600	(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(2-hydroxyphenyl)acetonitrile	135409022	NSC653831; (2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(2-hydroxyphenyl)acetonitrile; CHEMBL1988105; NSC-653831; NCI60_018730; 2-[2-(4-hydroxy-6-methyl-pyrimidin-2-yl)hydrazino]-2-(2-hydroxyphenyl)acetonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653831	.	.	.	.	271.27	C13H13N5O2	110	490	1.5	20	4	5	4	"InChI=1S/C13H13N5O2/c1-8-6-12(20)16-13(15-8)18-17-10(7-14)9-4-2-3-5-11(9)19/h2-6,10,17,19H,1H3,(H2,15,16,18,20)"	CC1=CC(=O)NC(=N1)NNC(C#N)C2=CC=CC=C2O	KVRRKFIUABQPRC-UHFFFAOYSA-N
DG68601	(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(2-hydroxy-1-naphthyl)acetonitrile	135409031	NSC653840; (2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(2-hydroxy-1-naphthyl)acetonitrile; CHEMBL1980143; NSC-653840; NCI60_018739; 2-[2-(4-hydroxy-6-methyl-pyrimidin-2-yl)hydrazino]-2-(2-hydroxy-1-naphthyl)acetonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653840	.	.	.	.	321.33	C17H15N5O2	110	605	2.7	24	4	5	4	"InChI=1S/C17H15N5O2/c1-10-8-15(24)20-17(19-10)22-21-13(9-18)16-12-5-3-2-4-11(12)6-7-14(16)23/h2-8,13,21,23H,1H3,(H2,19,20,22,24)"	CC1=CC(=O)NC(=N1)NNC(C#N)C2=C(C=CC3=CC=CC=C32)O	BITKFFANZCHSPD-UHFFFAOYSA-N
DG68602	Discorhabdin B	135409044	Discorhabdin B; NSC656203; NSC-656203; NCI60_019445; 115439-61-7	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656203	.	.	.	.	414.3	C18H12BrN3O2S	99.4	1030	1.1	25	2	6	0	"InChI=1S/C18H12BrN3O2S/c19-8-4-18-5-11(25-10(18)3-9(8)23)22-16-13(18)14-12-7(1-2-20-14)6-21-15(12)17(16)24/h3-4,6,11,22,24H,1-2,5H2/t11-,18-/m0/s1"	C1CN=C2C3=C1C=NC3=C(C4=C2[C@@]56C[C@@H](N4)SC5=CC(=O)C(=C6)Br)O	UKSNLLKPYVGHFN-VOJFVSQTSA-N
DG68603	NSC656204	135409045	"(1S,14S)-11-hydroxy-15-thia-4,9,13-triazahexacyclo[12.6.1.13,7.01,16.02,12.010,22]docosa-2(12),3,7(22),8,10,16,19-heptaen-18-one; (+)-(6S,8S)-Discorhabdin I; NSC656204; NSC-656204; NCI60_019446"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656204	.	.	.	.	335.4	C18H13N3O2S	99.4	976	0.2	24	2	6	0	"InChI=1S/C18H13N3O2S/c22-9-1-3-18-6-11(24-10(18)5-9)21-16-13(18)14-12-8(2-4-19-14)7-20-15(12)17(16)23/h1,3,5,7,11,21,23H,2,4,6H2/t11-,18-/m0/s1"	C1CN=C2C3=C1C=NC3=C(C4=C2[C@@]56C[C@@H](N4)SC5=CC(=O)C=C6)O	SQLLOKSPNICABN-VOJFVSQTSA-N
DG68604	NSC656206	135409047	"2-amino-3-[5-[[(1S,14S)-11-hydroxy-18-oxo-15-thia-4,9,13-triazahexacyclo[12.6.1.13,7.01,16.02,12.010,22]docosa-2(12),3,7(22),8,10,16,19-heptaen-20-yl]sulfanyl]-3-methylimidazol-4-yl]propanoic acid; NSC656206; NSC-656206; NCI60_019448"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656206	.	.	.	.	534.6	C25H22N6O4S2	206	1390	-2.9	37	4	11	5	"InChI=1S/C25H22N6O4S2/c1-31-9-29-23(13(31)6-12(26)24(34)35)37-15-5-11(32)4-14-25(15)7-16(36-14)30-21-18(25)19-17-10(2-3-27-19)8-28-20(17)22(21)33/h4-5,8-9,12,16,30,33H,2-3,6-7,26H2,1H3,(H,34,35)/t12 ,16-,25-/m0/s1"	CN1C=NC(=C1CC(C(=O)O)N)SC2=CC(=O)C=C3[C@@]24C[C@H](S3)NC5=C4C6=NCCC7=C6C(=C5O)N=C7	PMPVVBFINWSXBE-FAXBWADYSA-N
DG68605	"N-((2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl)-N'-phenylthiourea"	135409056	"NSC657448; N-((2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl)-N'-phenylthiourea; CHEMBL1997507; AKOS024344075; MCULE-4656413060; NSC-657448; NCI60_019935; 1-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]-3-phenyl-thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657448	.	.	.	.	324.4	C17H12N2O3S	103	538	3	23	2	4	2	"InChI=1S/C17H12N2O3S/c20-15-12-8-4-5-9-14(12)22-16(21)13(15)10-18-17(23)19-11-6-2-1-3-7-11/h1-10,20H,(H,19,23)/b18-10+"	C1=CC=C(C=C1)NC(=S)/N=C/C2=C(C3=CC=CC=C3OC2=O)O	HUEYSMZXDSCXGB-VCHYOVAHSA-N
DG68606	"N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)thiourea"	135409057	"NSC657449; N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)thiourea; NCIMech_000398; CHEMBL1993748; CCG-35958; AKOS024344099; MCULE-7932839633; NSC-657449; NCI60_019936; [(Z)-(6-methyl-2,4-dioxo-pyran-3-ylidene)methyl]thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657449	.	.	.	.	212.23	C8H8N2O3S	117	382	0.3	14	2	4	1	"InChI=1S/C8H8N2O3S/c1-4-2-6(11)5(7(12)13-4)3-10-8(9)14/h2-3,11H,1H3,(H2,9,14)/b10-3+"	CC1=CC(=C(C(=O)O1)/C=N/C(=S)N)O	SIQTYMPMYUEENP-XCVCLJGOSA-N
DG68607	"1-benzyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]thiourea"	135409068	"NSC657575; CHEMBL1967841; NSC-657575; NCI60_019991; 1-benzyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]thiourea; N-Benzyl-N'-((2,4-dioxo-2H-chromen-3(4H)-ylidene)methyl)thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657575	.	.	.	.	338.4	C18H14N2O3S	103	553	2.9	24	2	4	3	"InChI=1S/C18H14N2O3S/c21-16-13-8-4-5-9-15(13)23-17(22)14(16)11-20-18(24)19-10-12-6-2-1-3-7-12/h1-9,11,21H,10H2,(H,19,24)/b20-11+"	C1=CC=C(C=C1)CNC(=S)/N=C/C2=C(C3=CC=CC=C3OC2=O)O	VBYHINCHPKEAJW-RGVLZGJSSA-N
DG68608	"1-[(Z)-(2,4-dioxo-1H-quinolin-3-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea"	135409072	"NSC657582; CHEMBL1993887; NSC-657582; 1-[(Z)-(2,4-dioxo-1H-quinolin-3-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea; NCI60_019998; 4-(((((2,4-Dioxo-1,4-dihydro-3(2H)-quinolinylidene)methyl)amino)carbothioyl)amino)benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657582	.	.	.	.	402.5	C17H14N4O4S2	174	764	1	27	4	6	3	"InChI=1S/C17H14N4O4S2/c18-27(24,25)11-7-5-10(6-8-11)20-17(26)19-9-13-15(22)12-3-1-2-4-14(12)21-16(13)23/h1-9H,(H,20,26)(H2,18,24,25)(H2,21,22,23)/b19-9+"	C1=CC=C2C(=C1)C(=C(C(=O)N2)/C=N/C(=S)NC3=CC=C(C=C3)S(=O)(=O)N)O	AWCWWUMOUJHBDD-DJKKODMXSA-N
DG68609	"N-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]pyridine-4-carbothioamide"	135409073	"NSC657584; CHEMBL2006426; ZINC16958324; ZINC104300955; NSC-657584; NCI60_020000; N-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]pyridine-4-carbothioamide; N-[(E)-(2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl]pyridine-4-carbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657584	.	.	.	.	310.3	C16H10N2O3S	104	524	2.2	22	1	5	2	"InChI=1S/C16H10N2O3S/c19-14-11-3-1-2-4-13(11)21-16(20)12(14)9-18-15(22)10-5-7-17-8-6-10/h1-9,19H"	C1=CC=C2C(=C1)C(=C(C(=O)O2)C=NC(=S)C3=CC=NC=C3)O	QBTWCFLHOPPBPM-UHFFFAOYSA-N
DG68610	"N'-[(Z)-(6-methyl-2,4-dioxo-pyran-3-ylidene)methyl]ethanedithioamide"	135409075	"NSC657588; CHEMBL1975063; ZINC17221845; AKOS024345608; ZINC104300968; MCULE-6780026900; NSC-657588; NCI60_020004; N'-[(Z)-(6-methyl-2,4-dioxo-pyran-3-ylidene)methyl]ethanedithioamide; N~1~-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)ethanedithioamide; N~1~-[(Z)-(6-methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl]ethanedithioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657588	.	.	.	.	256.3	C9H8N2O3S2	149	463	0.8	16	2	5	1	"InChI=1S/C9H8N2O3S2/c1-4-2-6(12)5(9(13)14-4)3-11-8(16)7(10)15/h2-3,12H,1H3,(H2,10,15)"	CC1=CC(=C(C(=O)O1)C=NC(=S)C(=S)N)O	MRRBKEDDLVXBBX-UHFFFAOYSA-N
DG68611	"5,5-Dimethyl-2-(((5-methyl-4-phenyl-1,3-thiazol-2-yl)amino)methylene)-1,3-cyclohexanedione"	135409076	"NSC657590; CHEMBL1965022; NSC-657590; 5,5-Dimethyl-2-(((5-methyl-4-phenyl-1,3-thiazol-2-yl)amino)methylene)-1,3-cyclohexanedione; NCI60_020006; 5,5-dimethyl-2-[[(5-methyl-4-phenyl-thiazol-2-yl)amino]methylene]cyclohexane-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657590	.	.	.	.	340.4	C19H20N2O2S	90.8	550	4	24	1	5	3	"InChI=1S/C19H20N2O2S/c1-12-17(13-7-5-4-6-8-13)21-18(24-12)20-11-14-15(22)9-19(2,3)10-16(14)23/h4-8,11,22H,9-10H2,1-3H3/b20-11+"	CC1=C(N=C(S1)/N=C/C2=C(CC(CC2=O)(C)C)O)C3=CC=CC=C3	YNLAFYIBDCQZIC-RGVLZGJSSA-N
DG68612	"1-butyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]thiourea"	135409078	"NSC657592; CHEMBL1993387; NSC-657592; NCI60_020008; 1-butyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]thiourea; N-Butyl-N'-((2,4-dioxo-2H-chromen-3(4H)-ylidene)methyl)thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657592	.	.	.	.	304.4	C15H16N2O3S	103	474	2.7	21	2	4	4	"InChI=1S/C15H16N2O3S/c1-2-3-8-16-15(21)17-9-11-13(18)10-6-4-5-7-12(10)20-14(11)19/h4-7,9,18H,2-3,8H2,1H3,(H,16,21)/b17-9+"	CCCCNC(=S)/N=C/C1=C(C2=CC=CC=C2OC1=O)O	XODVYTUHFYMRPW-RQZCQDPDSA-N
DG68613	"1-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea"	135409083	"NSC657604; CHEMBL2003740; NSC-657604; NCI60_020020; 1-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea; 4-(((((2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl)amino)carbothioyl)amino)benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657604	.	.	.	.	403.4	C17H13N3O5S2	172	764	1.6	27	3	7	3	"InChI=1S/C17H13N3O5S2/c18-27(23,24)11-7-5-10(6-8-11)20-17(26)19-9-13-15(21)12-3-1-2-4-14(12)25-16(13)22/h1-9,21H,(H,20,26)(H2,18,23,24)/b19-9+"	C1=CC=C2C(=C1)C(=C(C(=O)O2)/C=N/C(=S)NC3=CC=C(C=C3)S(=O)(=O)N)O	LCHIJPFYWULQMD-DJKKODMXSA-N
DG68614	"N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)-N'-octadecylthiourea"	135409093	"NSC657710; N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)-N'-octadecylthiourea; SCHEMBL5464293; CHEMBL1967018; AKOS024426367; MCULE-3748133424; NSC-657710; NCI60_020077; 1-[(Z)-(6-methyl-2,4-dioxo-pyran-3-ylidene)methyl]-3-octadecyl-thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657710	.	.	.	.	464.7	C26H44N2O3S	103	641	9.5	32	2	4	18	"InChI=1S/C26H44N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-26(32)28-21-23-24(29)20-22(2)31-25(23)30/h20-21,29H,3-19H2,1-2H3,(H,27,32)/b28-21+"	CCCCCCCCCCCCCCCCCCNC(=S)/N=C/C1=C(C=C(OC1=O)C)O	HAXRIUKKDXWGLU-SGWCAAJKSA-N
DG68615	"1-[(Z)-(2,4-dioxo-1H-quinolin-3-ylidene)methyl]-3-phenethyl-thiourea"	135409094	"NSC657711; CHEMBL1979241; NSC-657711; NCI60_020078; 1-[(Z)-(2,4-dioxo-1H-quinolin-3-ylidene)methyl]-3-phenethyl-thiourea; N-((2,4-Dioxo-1,4-dihydro-3(2H)-quinolinylidene)methyl)-N'-(2-phenylethyl)thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657711	.	.	.	.	351.4	C19H17N3O2S	106	567	2.8	25	3	3	4	"InChI=1S/C19H17N3O2S/c23-17-14-8-4-5-9-16(14)22-18(24)15(17)12-21-19(25)20-11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,25)(H2,22,23,24)/b21-12+"	C1=CC=C(C=C1)CCNC(=S)/N=C/C2=C(C3=CC=CC=C3NC2=O)O	DZEUORIVZQLDFD-CIAFOILYSA-N
DG68616	"N-[(1,3-dioxoindan-2-ylidene)methyl]benzenecarbothioamide"	135409096	"NSC657714; CHEMBL1996810; ZINC6514057; NSC-657714; NCI60_020081; N-[(1,3-dioxoindan-2-ylidene)methyl]benzenecarbothioamide; N-((1,3-Dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl)benzenecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657714	.	.	.	.	293.3	C17H11NO2S	81.8	503	3.3	21	1	3	2	"InChI=1S/C17H11NO2S/c19-15-12-8-4-5-9-13(12)16(20)14(15)10-18-17(21)11-6-2-1-3-7-11/h1-10,19H"	C1=CC=C(C=C1)C(=S)N=CC2=C(C3=CC=CC=C3C2=O)O	XYBIHHCCXRAIMB-UHFFFAOYSA-N
DG68617	"(3Z)-6-methyl-3-[[[4-(3-nitrophenyl)thiazol-2-yl]amino]methylene]pyran-2,4-dione"	135409097	"NSC657715; NSC-657715; CHEMBL1958456; BDBM50484785; NCI60_020082; (3Z)-6-methyl-3-[[[4-(3-nitrophenyl)thiazol-2-yl]amino]methylene]pyran-2,4-dione; 3-(((4-(3-(Hydroxy(oxido)amino)phenyl)-1,3-thiazol-2-yl)amino)methylene)-6-methyl-2H-pyran-2,4(3H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657715	.	.	.	.	357.3	C16H11N3O5S	146	655	2.9	25	1	8	3	"InChI=1S/C16H11N3O5S/c1-9-5-14(20)12(15(21)24-9)7-17-16-18-13(8-25-16)10-3-2-4-11(6-10)19(22)23/h2-8,20H,1H3/b17-7+"	CC1=CC(=C(C(=O)O1)/C=N/C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])O	TYWOWIVIKNANEL-REZTVBANSA-N
DG68618	"1-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]-3-phenethyl-thiourea"	135409098	"NSC657716; CHEMBL2002477; NSC-657716; NCI60_020083; 1-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]-3-phenethyl-thiourea; N-((2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl)-N'-(2-phenylethyl)thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657716	.	.	.	.	352.4	C19H16N2O3S	103	567	3.4	25	2	4	4	"InChI=1S/C19H16N2O3S/c22-17-14-8-4-5-9-16(14)24-18(23)15(17)12-21-19(25)20-11-10-13-6-2-1-3-7-13/h1-9,12,22H,10-11H2,(H,20,25)/b21-12+"	C1=CC=C(C=C1)CCNC(=S)/N=C/C2=C(C3=CC=CC=C3OC2=O)O	WWUVGSSZLRFGQL-CIAFOILYSA-N
DG68619	"6,9-Ethanobenzo[g]quinoxaline-5,10-diol, 6,9-dihydro-2,3-dimethyl-"	135409115	"MLS002701599; NSC658387; SMR001565200; cid_377172; CHEMBL1724454; BDBM80752; NSC-658387; NCI60_020503; 6,10-diol, 6,9-dihydro- 2,3-dimethyl-; 6,9-Ethanobenzo[g]quinoxaline-5,10-diol, 6,9-dihydro-2,3-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658387	.	.	.	.	268.31	C16H16N2O2	66.2	389	2.8	20	2	4	0	"InChI=1S/C16H16N2O2/c1-7-8(2)18-14-13(17-7)15(19)11-9-3-5-10(6-4-9)12(11)16(14)20/h3,5,9-10,19-20H,4,6H2,1-2H3"	CC1=C(N=C2C(=C3C4CCC(C3=C(C2=N1)O)C=C4)O)C	GMUBHLSDGMVJMG-UHFFFAOYSA-N
DG68620	diethyl (3Z)-2-oxo-3-[(pyridine-4-carbothioylamino)methylene]butanedioate	135409119	NSC658502; CHEMBL1993159; NSC-658502; NCI60_020591; diethyl (3Z)-2-oxo-3-[(pyridine-4-carbothioylamino)methylene]butanedioate; Diethyl (3Z)-2-oxo-3-{[(pyridin-4-ylcarbonothioyl)amino]methylene}succinate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658502	.	.	.	.	336.4	C15H16N2O5S	130	510	2.3	23	1	7	8	"InChI=1S/C15H16N2O5S/c1-3-21-14(19)11(12(18)15(20)22-4-2)9-17-13(23)10-5-7-16-8-6-10/h5-9,18H,3-4H2,1-2H3/b12-11+,17-9 "	CCOC(=O)/C(=C(\\C(=O)OCC)/O)/C=NC(=S)C1=CC=NC=C1	KZJLLLCJEZNRGN-VBTOXBFSSA-N
DG68621	"2-Chloro-5,8-dihydroxy-3-(4-nitrophenoxy)naphthalene-1,4-dione"	135409136	NSC658872; CHEMBL1968800; NSC-658872; NCI60_020727	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658872	.	.	.	.	361.69	C16H8ClNO7	130	621	4.2	25	2	7	2	"InChI=1S/C16H8ClNO7/c17-13-14(21)11-9(19)5-6-10(20)12(11)15(22)16(13)25-8-3-1-7(2-4-8)18(23)24/h1-6,19-20H"	C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C(=O)C3=C(C=CC(=C3C2=O)O)O)Cl	KZBALAGUHIMFIP-UHFFFAOYSA-N
DG68622	"2,2-Dimethyl-9-((1-methylethylidene)amino)-2,9-dihydro-1H-purine-6-carboxamide"	135409139	"NSC659337; 2,2-Dimethyl-9-((1-methylethylidene)amino)-2,9-dihydro-1H-purine-6-carboxamide; CHEMBL1999008; ZINC5601655; NSC-659337; NCI60_020962; 9-(isopropylideneamino)-2,2-dimethyl-1H-purine-6-carboxamide; 1,2-Dihydro-9-(isopropylideneamino)-2,2-dimethyl-9H-purine-6-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659337	.	.	.	.	248.28	C11H16N6O	97.7	423	0.1	18	2	5	2	"InChI=1S/C11H16N6O/c1-6(2)16-17-5-13-8-7(9(12)18)14-11(3,4)15-10(8)17/h5,15H,1-4H3,(H2,12,18)"	CC(=NN1C=NC2=C1NC(N=C2C(=O)N)(C)C)C	CRVDNEPUOIYAAR-UHFFFAOYSA-N
DG68623	"6-Chloro-5,8-dihydroxy-7-methoxynaphthalene-1,4-dione"	135409146	"6-chloro-5,8-dihydroxy-7-methoxynaphthalene-1,4-dione; 15012-66-5; 2-CHLORO-5,8-DIHYDROXY-3-METHOXYNAPHTHALENE-1,4-DIONE; NSC659996; C11H7ClO5; CHEMBL2003645; DTXSID90327490; ZINC6403320; MCULE-4967830047; NSC-659996; NCI60_021068"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659996	.	.	.	.	254.62	C11H7ClO5	83.8	403	2.9	17	2	5	1	"InChI=1S/C11H7ClO5/c1-17-11-8(12)9(15)6-4(13)2-3-5(14)7(6)10(11)16/h2-3,13-14H,1H3"	COC1=C(C(=O)C2=C(C=CC(=C2C1=O)O)O)Cl	LHKORPVWCWZALZ-UHFFFAOYSA-N
DG68624	"Naphthalene-1, 2-chloro-5,8-dihydroxy-3-(2-methoxyethoxy)-"	135409147	"NSC659997; CHEMBL1982256; SCHEMBL18567074; ZINC6385396; CCG-102463; NSC-659997; NCI60_021069; Naphthalene-1, 2-chloro-5,8-dihydroxy- 3-(2-methoxyethoxy)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659997	.	.	.	.	298.67	C13H11ClO6	93.1	446	2.7	20	2	6	4	"InChI=1S/C13H11ClO6/c1-19-4-5-20-13-10(14)11(17)8-6(15)2-3-7(16)9(8)12(13)18/h2-3,15-16H,4-5H2,1H3"	COCCOC1=C(C(=O)C2=C(C=CC(=C2C1=O)O)O)Cl	QJOZREARNBJXFO-UHFFFAOYSA-N
DG68625	"2-Chloro-5,8-dihydroxy-3-[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione"	135409148	NSC659998; CHEMBL1997674; NSC-659998; NCI60_021070	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659998	.	.	.	.	342.73	C15H15ClO7	102	490	2.6	23	2	7	7	"InChI=1S/C15H15ClO7/c1-21-4-5-22-6-7-23-15-12(16)13(19)10-8(17)2-3-9(18)11(10)14(15)20/h2-3,17-18H,4-7H2,1H3"	COCCOCCOC1=C(C(=O)C2=C(C=CC(=C2C1=O)O)O)Cl	AQYHWKDZKIMLCP-UHFFFAOYSA-N
DG68626	"4-(2-Hydroxyethyl)-2-(4-hydroxy-5-(2-hydroxyethyl)-6-methyl-2-pyrimidinyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one"	135409152	"NSC660340; 4-(2-Hydroxyethyl)-2-(4-hydroxy-5-(2-hydroxyethyl)-6-methyl-2-pyrimidinyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one; CHEMBL1994003; NSC-660340; NCI60_021133; 4-(2-hydroxyethyl)-2-[4-hydroxy-5-(2-hydroxyethyl)-6-methyl-pyrimidin-2-yl]-5-methyl-1H-pyrazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660340	.	.	.	.	294.31	C13H18N4O4	114	577	-0.8	21	4	6	5	"InChI=1S/C13H18N4O4/c1-7-9(3-5-18)11(20)15-13(14-7)17-12(21)10(4-6-19)8(2)16-17/h16,18-19H,3-6H2,1-2H3,(H,14,15,20)"	CC1=C(C(=O)N(N1)C2=NC(=C(C(=O)N2)CCO)C)CCO	GXRKYIIJTLVTQI-UHFFFAOYSA-N
DG68627	2-Chloro-3-[2-(2-butoxyethoxy)ethoxy]-naphthazarin	135409154	NSC660632; 2-Chloro-3-[2-(2-butoxyethoxy)ethoxy]-naphthazarin; CHEMBL1978848; NSC-660632; NCI60_021156	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660632	.	.	.	.	384.8	C18H21ClO7	102	534	3.8	26	2	7	10	"InChI=1S/C18H21ClO7/c1-2-3-6-24-7-8-25-9-10-26-18-15(19)16(22)13-11(20)4-5-12(21)14(13)17(18)23/h4-5,20-21H,2-3,6-10H2,1H3"	CCCCOCCOCCOC1=C(C(=O)C2=C(C=CC(=C2C1=O)O)O)Cl	GTCKHPLZKRTXDG-UHFFFAOYSA-N
DG68628	2-Chloro-3-(3-chloro-propyloxy)-naphthazarin	135409155	NSC660633; 2-Chloro-3-(3-chloro-propyloxy)-naphthazarin; CHEMBL1980918; NSC-660633; NCI60_021157	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660633	.	.	.	.	317.12	C13H10Cl2O5	83.8	448	3.8	20	2	5	4	"InChI=1S/C13H10Cl2O5/c14-4-1-5-20-13-10(15)11(18)8-6(16)2-3-7(17)9(8)12(13)19/h2-3,16-17H,1,4-5H2"	C1=CC(=C2C(=C1O)C(=O)C(=C(C2=O)Cl)OCCCCl)O	PHWVXXRUQVIBQQ-UHFFFAOYSA-N
DG68629	2-Chloro-3-(2-chloroethoxy)-naphthazarin	135409156	NSC660634; CHEMBL1982448; NSC-660634; NCI60_021158; 2-Chloro-3-(2-chloroethoxy)-naphthazarin	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660634	.	.	.	.	303.09	C12H8Cl2O5	83.8	434	3.5	19	2	5	3	"InChI=1S/C12H8Cl2O5/c13-3-4-19-12-9(14)10(17)7-5(15)1-2-6(16)8(7)11(12)18/h1-2,15-16H,3-4H2"	C1=CC(=C2C(=C1O)C(=O)C(=C(C2=O)Cl)OCCCl)O	FSOLLRBZCSCIBQ-UHFFFAOYSA-N
DG68630	"2-(5-Hydroxy-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol"	135409193	"NSC664722; CHEMBL3145307; ZINC16958532; ZINC102965375; MCULE-3592110910; NSC-664722; 2-(5-Hydroxy-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol; NCI60_022308; AO-476/43415863; 2-[3-Oxo-4-(2-hydroxyethyl)-5-methyl-4-pyrazoline-2-yl]-6,7-dihydro-3H-cyclopentapyrimidine-4(5H)-one; 2-[4-(2-hydroxyethyl)-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one; 2-[5-hydroxy-4-(2-hydroxyethyl)-3-methyl-pyrazol-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664722	.	.	.	.	276.29	C13H16N4O3	94	588	-0.1	20	3	5	3	"InChI=1S/C13H16N4O3/c1-7-8(5-6-18)12(20)17(16-7)13-14-10-4-2-3-9(10)11(19)15-13/h16,18H,2-6H2,1H3,(H,14,15,19)"	CC1=C(C(=O)N(N1)C2=NC3=C(CCC3)C(=O)N2)CCO	QABAVMUVVKBDCW-UHFFFAOYSA-N
DG68631	"3-(4-bromophenyl)spiro[6,9-dihydro-4H-[1,2,4]triazino[4,3-b][1,2,4]triazine-7,9'-fluorene]-8-one"	135409202	"NSC666167; CHEMBL2006695; ZINC16958556; NSC-666167; NCI60_022969; 3-(4-bromophenyl)spiro[6,9-dihydro-4H-[1,2,4]triazino[3,2-c][1,2,4]triazine-7,9'-fluorene]-8-one; Spiro[9H-fluorene-9,7'(8'H)-[4H][1,2,4]triazino[4,3-b][1,2,4]triazin]-8'(6'H)-one, 3'-(4-bromophenyl)-4',9'-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666167	.	.	.	.	458.3	C23H16BrN5O	69.1	752	4.1	30	2	4	1	"InChI=1S/C23H16BrN5O/c24-15-11-9-14(10-12-15)20-13-29-22(27-26-20)25-21(30)23(28-29)18-7-3-1-5-16(18)17-6-2-4-8-19(17)23/h1-12,28H,13H2,(H,25,27,30)"	C1C(=NN=C2N1NC3(C4=CC=CC=C4C5=CC=CC=C53)C(=O)N2)C6=CC=C(C=C6)Br	WSEHWGRLZMPEOM-UHFFFAOYSA-N
DG68632	2-(1H-Benzimidazol-2-ylamino)-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinol	135409211	NSC666288; 2-(1H-Benzimidazol-2-ylamino)-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinol; CHEMBL2001215; NSC-666288; NCI60_023024; 2-(1H-benzimidazol-2-ylamino)-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666288	.	.	.	.	285.3	C14H15N5O2	102	488	0.5	21	4	4	4	"InChI=1S/C14H15N5O2/c1-8-9(6-7-20)12(21)18-13(15-8)19-14-16-10-4-2-3-5-11(10)17-14/h2-5,20H,6-7H2,1H3,(H3,15,16,17,18,19,21)"	CC1=C(C(=O)NC(=N1)NC2=NC3=CC=CC=C3N2)CCO	KLIRUXAEXSHDOM-UHFFFAOYSA-N
DG68633	"tert-butyl N-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]carbamate"	135409213	"NSC667001; CHEMBL1980925; NSC-667001; NCI60_023357; tert-butyl-(2,4-dioxochroman-3-ylidene) methylcarbamate; tert-Butyl (2,4-dioxo-2H-chromen-3(4H)-ylidene)methylcarbamate; tert-butyl N-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667001	.	.	.	.	289.28	C15H15NO5	85.2	501	2.4	21	1	5	3	"InChI=1S/C15H15NO5/c1-15(2,3)21-14(19)16-8-10-12(17)9-6-4-5-7-11(9)20-13(10)18/h4-8,17H,1-3H3/b16-8+"	CC(C)(C)OC(=O)/N=C/C1=C(C2=CC=CC=C2OC1=O)O	MVLUSZNPRFSHMP-LZYBPNLTSA-N
DG68634	"(3Z)-3-[[2-(1,3-benzoxazol-2-yl)hydrazino]methylene]tetrahydrothiophene-2,4-dione"	135409216	"NSC667515; CHEMBL1991282; NSC-667515; NCI60_023491; (3Z)-3-[[2-(1,3-benzoxazol-2-yl)hydrazino]methylene]tetrahydrothiophene-2,4-dione; 3-((2-(1,3-Benzoxazol-2-yl)hydrazino)methylene)-2,4(3H,5H)-thiophenedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667515	.	.	.	.	275.29	C12H9N3O3S	113	438	2.1	19	2	7	3	"InChI=1S/C12H9N3O3S/c16-9-6-19-11(17)7(9)5-13-15-12-14-8-3-1-2-4-10(8)18-12/h1-5,16H,6H2,(H,14,15)/b13-5+"	C1C(=C(C(=O)S1)/C=N/NC2=NC3=CC=CC=C3O2)O	AKMYQOJKZKUDCJ-WLRTZDKTSA-N
DG68635	"1-(4-Chlorophenyl)-2-((4-hydroxy-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)ethanone"	135409221	"NSC669947; 1-(4-Chlorophenyl)-2-((4-hydroxy-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)ethanone; 152423-00-2; MLS000684982; CHEMBL1461036; HMS2612N08; ZINC13543823; AKOS024653502; MCULE-3257799547; NSC-669947; NCI60_024477; SMR000324934; AB00687475-01; SR-01000019963; SR-01000019963-1; F2503-0151; 1-(4-chlorophenyl)-2-[(4-hydroxy-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanone; 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one; 6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[3,4-d]pyrimidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669947	.	.	.	.	320.75	C13H9ClN4O2S	113	465	2.3	21	2	5	4	"InChI=1S/C13H9ClN4O2S/c14-8-3-1-7(2-4-8)10(19)6-21-13-16-11-9(5-15-18-11)12(20)17-13/h1-5H,6H2,(H2,15,16,17,18,20)"	C1=CC(=CC=C1C(=O)CSC2=NC3=C(C=NN3)C(=O)N2)Cl	NAHCYCAECAHCNA-UHFFFAOYSA-N
DG68636	"1H-Purine-6-carboxamide, 2-ethyl-2,9-dihydro-2-methyl-9-[(1-methylethylidene)amino]-"	135409229	"NSC670263; 1H-Purine-6-carboxamide, 2-ethyl-2,9-dihydro-2-methyl-9-[(1-methylethylidene)amino]-; CHEMBL2005396; NSC-670263; NCI60_024683; 2-ethyl-9-(isopropylideneamino)-2-methyl-1H-purine-6-carboxamide; 1,2-Dihydro-9-(isopropylideneamino)-2-ethyl-2-methyl-9H-purine-6-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670263	.	.	.	.	262.31	C12H18N6O	97.7	442	0.6	19	2	5	3	"InChI=1S/C12H18N6O/c1-5-12(4)15-8(10(13)19)9-11(16-12)18(6-14-9)17-7(2)3/h6,16H,5H2,1-4H3,(H2,13,19)"	CCC1(NC2=C(C(=N1)C(=O)N)N=CN2N=C(C)C)C	MIYLUPPIFJNQHE-UHFFFAOYSA-N
DG68637	"7-[4-[(3-Amino-1,4-dioxido-1,2,4-benzotriazine-1,4-diium-7-yl)oxy]butyl]-1,3-dimethylpurine-2,6-dione"	135409232	NSC670994; CHEMBL2006735; NSC-670994; NCI60_025013	.	.	Investigative Drug(s)	Investigative	Small molecular drug	670994	.	.	.	.	428.4	C18H20N8O5	158	685	-1.2	31	1	8	6	"InChI=1S/C18H20N8O5/c1-22-15-14(16(27)23(2)18(22)28)24(10-20-15)7-3-4-8-31-11-5-6-12-13(9-11)26(30)21-17(19)25(12)29/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,19,21)"	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCOC3=CC4=C(C=C3)[N+](=C(N=[N+]4[O-])N)[O-]	WPHHOPYGROZWOY-UHFFFAOYSA-N
DG68638	"4-Anilino-1-phenyl-5-(phenylimino)-1,5-dihydro-2H-imidazol-2-one"	135409233	"NSC671376; CHEMBL1969467; 4-Anilino-1-phenyl-5-(phenylimino)-1,5-dihydro-2H-imidazol-2-one; ZINC16958715; ZINC104311508; NSC-671376; NCI60_025228; (5E)-4-anilino-1-phenyl-5-phenylimino-imidazol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671376	.	.	.	.	340.4	C21H16N4O	57.1	552	4.5	26	1	3	3	"InChI=1S/C21H16N4O/c26-21-24-19(22-16-10-4-1-5-11-16)20(23-17-12-6-2-7-13-17)25(21)18-14-8-3-9-15-18/h1-15H,(H,22,24,26)"	C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)N(C(=O)N2)C4=CC=CC=C4	GVOSDWFMUICKEL-UHFFFAOYSA-N
DG68639	"3-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one"	135409374	"MFCD00711831; NSC765608; STL295942; STL367888; AKOS002266886; AKOS015831855; NSC-765608; AB00681899-01; SR-01000212396; SR-01000212396-1; 3-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one; 3-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-1,2,4-triazin-5(4H)-one; 300829-68-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765608	.	.	.	.	231.21	C10H9N5O2	98.4	377	0.4	17	3	5	3	"InChI=1S/C10H9N5O2/c16-8-4-2-1-3-7(8)5-11-14-10-13-9(17)6-12-15-10/h1-6,16H,(H2,13,14,15,17)/b11-5+"	C1=CC=C(C(=C1)/C=N/NC2=NN=CC(=O)N2)O	JLNGJBLIIKJAGO-VZUCSPMQSA-N
DG68640	Oxindole-Based Inhibitor 29	135409809	"GW396574X; Oxindole-Based Inhibitor 29; BDBM7693; CHEMBL270544; SCHEMBL5425606; HMS3303F02; HMS3305F05; NSC756220; NSC-756220; NCGC00241910-01; AB01092353-01; 4-[2-[4-(2-Methyl-1-propenyl)-2-oxoindoline-3-ylidene]hydrazino]benzenesulfonamide; 4-{2-[(3Z)-4-(2-methylprop-1-en-1-yl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzene-1-sulfonamide; 4-{N -[4-(2-Methyl-propenyl)-2-oxo-1,2-dihydro-indol-3-ylidene]hydrazino}benzenesulfonamide; 4-{N'-[4-(2-Methyl-propenyl)-2-oxo-1,2-dihydro-indol-3-ylidene]-hydrazino}-benzenesulfonamide; 4-{n'-[4-(2-methyl-propenyl)-2oxo-1,2-dihydro-indol-3-ylidene]-hydrazino}-benzenesulfonamide; 4{n'-[4-(2-methyl-propenyl)-2-oxo-1,2-dihydro-indol-3-ylidene]-hydrazino}-benzenesulfonamide; 4{n'-[4-(2-methyl-propenyl)-2-oxo-1,2dihydro-indol-3-ylidene]-hydrazino}-benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756220	.	.	.	.	370.4	C18H18N4O3S	129	646	4	26	3	6	4	"InChI=1S/C18H18N4O3S/c1-11(2)10-12-4-3-5-15-16(12)17(18(23)20-15)22-21-13-6-8-14(9-7-13)26(19,24)25/h3-10,20,23H,1-2H3,(H2,19,24,25)"	CC(=CC1=C2C(=CC=C1)NC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)N)O)C	ZZPQBANVXDRDLD-UHFFFAOYSA-N
DG68641	"1,1-diethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea"	135410267	NSC641298; CHEMBL1966335; NSC-641298	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641298	.	.	.	.	265.38	C13H19N3OS	80	303	2.4	18	2	3	4	"InChI=1S/C13H19N3OS/c1-4-16(5-2)13(18)15-14-10(3)11-8-6-7-9-12(11)17/h6-9,17H,4-5H2,1-3H3,(H,15,18)/b14-10+"	CCN(CC)C(=S)N/N=C(\\C)/C1=CC=CC=C1O	MVEROYBQOOYJKT-GXDHUFHOSA-N
DG68642	8-Azahypoxanthine	135410720	"8-Azahypoxanthine; 2683-90-1; Azahypoxanthine; 3,6-Dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one; 7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 1,4-dihydro-; 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL; AE 200; 7-Hydroxy-1,2,3,4,6-pentaazaindene; 7-Hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine; 7-Hydroxy-v-triazolo(d)pyrimidine; 1H-1,2,3-Triazolo(4,5-d)pyrimidin-7-ol; v-Triazolo(4,5-d)pyrimidin-7-ol; NSC 22709; 1H-v-Triazolo(4,5-d)pyrimidin-7-ol; 3H-[1,2,3]Triazolo[4,5-d]pyrimidin-7(6H)-one; 1H-[1,2,3]Triazolo[4,5-d]pyrimidin-7(4H)-one; 7-Hydroxy-v-triazolo[d]pyrimidine; 7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 3,6-dihydro-; v-Triazolo[4,5-d]pyrimidin-7-ol; 1H-v-Triazolo[4,5-d]pyrimidin-7-ol; 7H-1,2,3-Triazolo(4,5-d)pyrimidin-7-one, 1,4-dihydro-; 7H-1,2,3-Triazolo(4,5-d)pyrimidin-7-one, 3,6-dihydro-; 8-azaHx; EINECS 220-244-3; AI3-50259; 2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one; 744991-61-5; CHEMBL219416; SCHEMBL1230976; DTXSID1062590; SCHEMBL14094281; 7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one,3,6-dihydro-; CHEBI:136532; 7H-v-Triazolo[4, 1,6-dihydro-; ALBB-023427; ZINC3861531; 2,2-DIBROMODIPHENYLACETYLENE; 7-Hydroxy-1,3,4,6-pentaazaindene; GEO-00241; MFCD00005804; MFCD08692088; STL514216; STL573034; AKOS003272028; AKOS005206808; AKOS015854536; AKOS028109374; AKOS037491874; MCULE-1473118395; NCGC00188261-01; NCI60_001853; SY019936; TS-00032; 1H-1,3-Triazolo[4,5-d]pyrimidin-7-ol; DB-047033; 3,6-dihydrotriazolo[4,5-d]pyrimidin-7-one; A0555; CS-0081731; FT-0621502; 1H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol; 7-hydroxy-1,2,3-triazolo[4,5-d]pyrimidine; T70692; 7-hydroxy-3h-1,2,3-triazolo[4,5-d]pyrimidine; A877122; 1H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one; 2H-[1,2,3]triazolo[4,5-d]pyrimidin-7(3H)-one; W-200265; 7H-v-Triazolo(4,5-d)pyrimidin-7-one, 1,6-dihydro-; 3,6-Dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one; F2124-0964; F2147-0425; 1,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one; 7H-1,3-Triazolo[4,5-d]pyrimidin-7-one, 1,4-dihydro-; 1,4-Dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one #; 7H-v-Triazolo(4,5-d)pyrimidin-7-one, 1,6-dihydro- (8CI); 10555-30-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	22709	.	.	.	.	137.1	C4H3N5O	83	190	-1	10	2	4	0	"InChI=1S/C4H3N5O/c10-4-2-3(5-1-6-4)8-9-7-2/h1H,(H2,5,6,7,8,9,10)"	C1=NC2=NNN=C2C(=O)N1	OEEYCNOOAHGFHL-UHFFFAOYSA-N
DG68643	2-[N'-(2-Hydroxy-benzylidene)-hydrazino]-3-phenyl-3H-quinazolin-4-one	135411821	"NSC666354; CHEMBL1991922; 2-[N'-(2-Hydroxy-benzylidene)-hydrazino]-3-phenyl-3H-quinazolin-4-one; AKOS000534585; NSC-666354; 2-Hydroxybenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone; 2-[(2E)-2-[(2-hydroxyphenyl)methylene]hydrazino]-3-phenyl-quinazolin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666354	.	.	.	.	356.4	C21H16N4O2	77.3	585	3.5	27	2	4	4	"InChI=1S/C21H16N4O2/c26-19-13-7-4-8-15(19)14-22-24-21-23-18-12-6-5-11-17(18)20(27)25(21)16-9-2-1-3-10-16/h1-14,26H,(H,23,24)/b22-14+"	C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2N/N=C/C4=CC=CC=C4O	YOFALMLXFIWTON-HYARGMPZSA-N
DG68644	DL-Alanosine	135413540	"DL-Alanosine; 5854-95-5; Alanosine; L-Alanosine; D,L-Alanosine; NSC-143647; 3-(Hydroxynitrosoamino)alanine; NSC143647; NSC529469; (Z)-(2-amino-2-carboxyethyl)-hydroxyimino-oxidoazanium; 3-(Hydroxynitrosoamino)-DL-alanine; ENT 52867; DL-Alanine, 3-(hydroxynitrosoamino)-; L-Alanine, 3-(hydroxynitrosoamino)-; NSC-529469; DL-2-Amino-3-(hydroxynitrosamino)propionic acid; 3-(Hydroxynitrosoamino)-D,L-alanine; Propionic acid, L-; Propionic acid, DL-; L-2-Amino-3-(hydroxynitrosamino)propionic acid; ALANOSINE, DL; 2-Amino-3-(hydroxynitrosamino)propionic acid, L-; Propionic acid, (L)-; L-2-Amino-3-[(N-nitroso)hydroxylamino]propionic acid; DL-Alanine, 3-(hydroxynitrosoamino)- (9CI); WLN: QVYZ1NQNO -L; CHEMBL24530; Propionic acid, 2-amino-3-(hydroxynitrosamino)-, DL-; SCHEMBL5810132; 5854-93-3; NCI60_001083; NCI60_004300; (S)-2-amino-3-(hydroxy(nitroso)amino)propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143647	.	.	.	.	149.11	C3H7N3O4	125	156	-3.8	10	3	6	3	"InChI=1S/C3H7N3O4/c4-2(3(7)8)1-6(10)5-9/h2,9H,1,4H2,(H,7,8)/b6-5-"	C(C(C(=O)O)N)/[N+](=N/O)/[O-]	ZGNLFUXWZJGETL-WAYWQWQTSA-N
DG68645	Hymenialdisine	135413546	"Hymenialdisine; 10Z-Hymenialdisine; C11H10BrN5O2; 82005-12-7; CHEMBL361708; 95569-43-0; (Z)-Hymenialdisine; 4-(2-amino-4-oxo-1H-imidazol-5(4H)-ylidene)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one; UNII-5WMS4GA67M; 5WMS4GA67M; Hymenialdisine, 1; 10Z-Hymenialdisine; 4-(2-Amino-4-oxo-2-imidazolidin-5-ylidene)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one; SCHEMBL155899; BDBM7491; STO156; SCHEMBL15426167; 4-(2-Amino-5-oxo-3,5-dihydro-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one; HY-N6794; BDBM50259155; NSC607173; NSC626158; ZINC17175232; AKOS024456651; NSC-607173; NSC-626158; SK&F 108752; SK&F-108752; (4Z)-4-(2-amino-4-oxo-1H-imidazol-5-ylidene)-2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one; B722657K109; K00010; K00223; (4Z)-4-(2-Amino-1,5-dihydro-5-oxo-4 H-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydropy rrolo[2,3-c]azepin-8(1H)-one; (4Z)-4-(2-Amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one; (4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one; (Z)-4-(2-amino-4-oxo-1H-imidazol-5(4H)-ylidene)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one; 2-amino-5-[(4Z)-2-bromo-8-oxo-1H,4H,5H,6H,7H,8H-pyrrolo[2,3-c]azepin-4-ylidene]-4,5-dihydro-1H-imidazol-4-one; 4-(2-Amino-4-oxo-2-imidazolidin-5-ylidene)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one; 4-[2-Amino-5-oxo-1,5-dihydro-imidazol-(4Z)-ylidene]-2-bromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one; 4-[2-Amino-5-oxo-3,5-dihydro-imidazol-(4Z)-ylidene]-2-bromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one; Pyrrolo(2,3-c)azepin-8(1H)-one, 4-(2-amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydro-; Pyrrolo[2, 4-(2-amino-1,5-dihydro- 5-oxo-4H-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydro-, (Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	607173	.	.	.	.	324.13	C11H10BrN5O2	112	515	-0.7	19	4	3	0	"InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4-"	C\\1CNC(=O)C2=C(/C1=C\\3/C(=O)NC(=N3)N)C=C(N2)Br	ATBAETXFFCOZOY-DAXSKMNVSA-N
DG68646	"(2E,5Z)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]imino]-5-[2-oxo-5-(trifluoromethoxy)indolin-3-ylidene]thiazolidin-4-one"	135414497	"NSC733411; NSC-733411; (2E,5Z)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]imino]-5-[2-oxo-5-(trifluoromethoxy)indolin-3-ylidene]thiazolidin-4-one; 3-[2-(5-Methoxy-1,3,4-oxadiazoles-2-yl)imino-4-thiazolidinones-5-ylidene]-5-trifluoromethoxy-1H-2-indolinones; 3-[2-[5-(p-metoksifenil)-1,4-oksadiazol-2-il]imino-4-tiyaz olidinon-5-iliden]-5-trifluoromethyl-1H-indol-2-on"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	733411	.	.	.	.	503.4	C21H12F3N5O5S	160	979	4.2	35	2	13	6	"InChI=1S/C21H12F3N5O5S/c1-32-10-4-2-9(3-5-10)18-28-29-19(33-18)27-20-26-17(31)15(35-20)14-12-8-11(34-21(22,23)24)6-7-13(12)25-16(14)30/h2-8,31H,1H3,(H,26,27,29)"	COC1=CC=C(C=C1)C2=NN=C(O2)NC3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)OC(F)(F)F)O	UHIKWLHXWZOLQE-UHFFFAOYSA-N
DG68647	"3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-7-(3-nitrophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one"	135415166	NSC710592; CHEMBL1966007; NSC-710592	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710592	.	.	.	.	443.4	C22H13N5O4S	149	911	4.7	32	1	8	3	"InChI=1S/C22H13N5O4S/c28-19-11-8-13-4-1-2-7-16(13)17(19)9-10-18-21(29)26-22(24-23-18)32-20(25-26)14-5-3-6-15(12-14)27(30)31/h1-12,28H/b10-9+"	C1=CC=C2C(=C1)C=CC(=C2/C=C/C3=NN=C4N(C3=O)N=C(S4)C5=CC(=CC=C5)[N+](=O)[O-])O	URELOGFXMSCVTQ-MDZDMXLPSA-N
DG68648	2-Amino-5-bromo-6-(3-nitrophenyl)-4(3H)-pyrimidinone	135415735	NSC604979; CHEMBL55149; ZINC16952196; NSC-604979; NCI60_004627; 2-amino-5-bromo-4-(3-nitrophenyl)-1H-pyrimidin-6-one; 2-Amino-5-bromo-6-(3-nitrophenyl)-4(3H)-pyrimidinone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	604979	.	.	.	.	311.09	C10H7BrN4O3	113	455	1.1	18	2	4	1	"InChI=1S/C10H7BrN4O3/c11-7-8(13-10(12)14-9(7)16)5-2-1-3-6(4-5)15(17)18/h1-4H,(H3,12,13,14,16)"	C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=O)NC(=N2)N)Br	FTRWXOPDEGKEOI-UHFFFAOYSA-N
DG68649	Veracoquinazole	135416663	"Veracoquinazole; NSC601852; CHEMBL2005391; methyl N-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)carbamate; ZINC8652467; NSC-601852; NCI60_004538; methyl 6,7-dimethoxy-4-oxo-1,4-dihydro-2-quinazolinylcarbamate; N-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)-carbamic acid methyl ester; N-[(6,7-Dimethoxy-1,4-dihydro-4-oxoquinazolin)-2-yl]carbamic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601852	.	.	.	.	279.25	C12H13N3O5	98.2	425	0.6	20	2	6	4	"InChI=1S/C12H13N3O5/c1-18-8-4-6-7(5-9(8)19-2)13-11(14-10(6)16)15-12(17)20-3/h4-5H,1-3H3,(H2,13,14,15,16,17)"	COC1=C(C=C2C(=C1)C(=O)NC(=N2)NC(=O)OC)OC	NGRITRRTJXMHLZ-UHFFFAOYSA-N
DG68650	"N-(3,5-dichlorophenyl)-3,7-dimethyl-5-oxo-1H-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide"	135416664	"NSC624944; CHEMBL2000466; ZINC1617950; NSC-624944; N-(3,5-Dichlorophenyl)-3,7-dimethyl-5-oxo-1,5-dihydro[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide; N-(3,5-dichlorophenyl)-3,7-dimethyl-5-oxo-1H-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide; NCI60_007615"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624944	.	.	.	.	352.2	C14H11Cl2N5O2	88.9	545	1.9	23	2	4	2	"InChI=1S/C14H11Cl2N5O2/c1-6-11(12-20-19-7(2)21(12)14(23)17-6)13(22)18-10-4-8(15)3-9(16)5-10/h3-5H,1-2H3,(H,17,23)(H,18,22)"	CC1=C(C2=NN=C(N2C(=O)N1)C)C(=O)NC3=CC(=CC(=C3)Cl)Cl	XSRIRSKOYASZMJ-UHFFFAOYSA-N
DG68651	"N-[(2-methoxyphenyl)methyl]-1,1-dioxo-2-phenyl-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine"	135416672	NSC704083; CHEMBL1991786; NSC-704083; NCI60_037119	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704083	.	.	.	.	394.4	C20H18N4O3S	92.3	657	2.5	28	1	5	4	"InChI=1S/C20H18N4O3S/c1-27-18-10-6-5-7-15(18)13-22-20-23-17-11-12-21-14-19(17)28(25,26)24(20)16-8-3-2-4-9-16/h2-12,14H,13H2,1H3,(H,22,23)"	COC1=CC=CC=C1CN=C2NC3=C(C=NC=C3)S(=O)(=O)N2C4=CC=CC=C4	IGXHNLOBPCUPAV-UHFFFAOYSA-N
DG68652	"3-(4-Chlorophenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine"	135416920	NSC621719; CHEMBL1992014; ZINC1616523; NSC-621719; NCI60_006317	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621719	.	.	.	.	287.7	C14H10ClN3O2	76.9	338	1.2	20	1	3	1	"InChI=1S/C14H10ClN3O2/c15-10-7-5-9(6-8-10)13-14(16)18(20)12-4-2-1-3-11(12)17(13)19/h1-8H,16H2"	C1=CC=C2C(=C1)[N+](=C(C(=[N+]2[O-])N)C3=CC=C(C=C3)Cl)[O-]	MKMGYSWIFGQMKN-UHFFFAOYSA-N
DG68653	"N-[2-[3-[2-(ethenylcarbamoylamino)-2-oxoethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide"	135416967	NSC623087; CHEMBL1969600; ZINC8655814; NSC-623087; NCI60_006877	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623087	.	.	.	.	442.4	C16H13F3N6O4S	166	798	2.2	30	4	10	6	"InChI=1S/C16H13F3N6O4S/c1-2-20-14(29)22-10(26)7-30-15-23-12(27)11(24-25-15)8-5-3-4-6-9(8)21-13(28)16(17,18)19/h2-6H,1,7H2,(H,21,28)(H,23,25,27)(H2,20,22,26,29)"	C=CNC(=O)NC(=O)CSC1=NN=C(C(=O)N1)C2=CC=CC=C2NC(=O)C(F)(F)F	CYQLPVMZNVODLN-UHFFFAOYSA-N
DG68654	"5-amino-4-(1,4-dichlorophenyl)-2,3-dihydro-1H-3-pyrrolone"	135417075	"ZINC958084; MFCD03786256; NSC732966; AKOS001150455; MCULE-2994677099; NSC-732966; 5-amino-4-(1,4-dichlorophenyl)-2,3 -dihydro-1H-3-pyrrolone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732966	.	.	.	.	376.3	C17H11Cl2N3OS	88.4	558	4.2	24	2	4	2	"InChI=1S/C17H11Cl2N3OS/c18-9-5-6-12(10(19)7-9)22-8-13(23)15(16(22)20)17-21-11-3-1-2-4-14(11)24-17/h1-7,20,23H,8H2"	C1C(=C(C(=N)N1C2=C(C=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4S3)O	SNCZUICERNCZEJ-UHFFFAOYSA-N
DG68655	"4-chloro-N-[(E)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]benzamide"	135417302	CHEMBL1999978; NSC719700; NSC-719700	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719700	.	.	.	.	313.74	C15H12ClN5O	83	436	2.8	22	2	4	3	"InChI=1S/C15H12ClN5O/c1-9(13-18-12-3-2-8-17-14(12)19-13)20-21-15(22)10-4-6-11(16)7-5-10/h2-8H,1H3,(H,21,22)(H,17,18,19)/b20-9+"	C/C(=N\\NC(=O)C1=CC=C(C=C1)Cl)/C2=NC3=C(N2)C=CC=N3	HQYIDNSWPZQGPD-AWQFTUOYSA-N
DG68656	"N-(4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}phenyl)methanesulfonamide"	135418262	"GW278681X; SCHEMBL4838245; SCHEMBL4838258; CHEMBL3195901; HMS3303H07; HMS3305O08; NSC756199; NSC-756199; NCGC00241975-01; AB01092195-01; N-(4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}phenyl)methanesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756199	.	.	.	.	329.4	C16H15N3O3S	103	523	2.3	23	3	5	4	"InChI=1S/C16H15N3O3S/c1-23(21,22)19-12-8-6-11(7-9-12)17-10-14-13-4-2-3-5-15(13)18-16(14)20/h2-10,18-20H,1H3"	CS(=O)(=O)NC1=CC=C(C=C1)N=CC2=C(NC3=CC=CC=C32)O	ZYYJEUHZKGIYQJ-UHFFFAOYSA-N
DG68657	"7-Chloro-3-[3-(dimethylamino)propylamino]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile"	135418452	"NSC689727; CHEMBL138791; SCHEMBL14291677; NSC-689727; NCI60_032286; 7-chloro-3-[3-(dimethylamino)propylamino]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile; 7-Chloro-3-((3-(dimethylamino)propyl)amino)-1,4-dihydroxy-1.lambda.~5~,4.lambda.~5~-quinoxaline-2-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689727	.	.	.	.	321.76	C14H16ClN5O2	90	415	1.2	22	1	5	5	"InChI=1S/C14H16ClN5O2/c1-18(2)7-3-6-17-14-13(9-16)19(21)12-8-10(15)4-5-11(12)20(14)22/h4-5,8,17H,3,6-7H2,1-2H3"	CN(C)CCCNC1=[N+](C2=C(C=C(C=C2)Cl)[N+](=C1C#N)[O-])[O-]	PPFOYMPJVKBSSS-UHFFFAOYSA-N
DG68659	"7-Aminothiadiazolo[5,4-d]pyrimidin-5-ol"	135420622	"NSC675278; MLS002702271; SCHEMBL6270123; CHEMBL2004857; ZINC6494788; NSC-675278; 7-aminothiadiazolo[5,4-d]pyrimidin-5-ol; NCI60_026651; SMR001565833; 5-Hydroxy-7-amino(1,3)thiadiazole[5,4-d]pyrimidine; 5-hydroxy, 7-amino(1,2,3)thiadiazole(5,4-d)pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675278	.	.	.	.	169.17	C4H3N5OS	118	316	-0.3	11	2	5	0	"InChI=1S/C4H3N5OS/c5-2-1-3(11-9-8-1)7-4(10)6-2/h(H3,5,6,7,10)"	C12=C(NC(=O)N=C1SN=N2)N	RAHVCPJGTSUPLH-UHFFFAOYSA-N
DG68660	4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzenesulfonamide	135421134	GW335962X; CHEMBL405042; CHEMBL3189426; SCHEMBL14040829; HMS3303A09; HMS3305O07; NSC756218; NSC-756218; NCGC00241999-01; AB01092351-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756218	.	.	.	.	329.4	C16H15N3O3S	117	549	2.1	23	3	5	3	"InChI=1S/C16H15N3O3S/c1-10(15-13-4-2-3-5-14(13)19-16(15)20)18-11-6-8-12(9-7-11)23(17,21)22/h2-9,19-20H,1H3,(H2,17,21,22)"	CC(=NC1=CC=C(C=C1)S(=O)(=O)N)C2=C(NC3=CC=CC=C32)O	RBIXMEJKIVHVPF-UHFFFAOYSA-N
DG68661	4-[[5-(dimethylamino)-2-hydroxy-1H-indol-3-yl]methylideneamino]benzenesulfonamide	135421139	GW416469X; CHEMBL272414; CHEMBL3198144; HMS3303I08; HMS3305G09; NSC756226; NSC-756226; NCGC00241991-01; AB01092354-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756226	.	.	.	.	358.4	C17H18N4O3S	120	581	2	25	3	6	4	"InChI=1S/C17H18N4O3S/c1-21(2)12-5-8-16-14(9-12)15(17(22)20-16)10-19-11-3-6-13(7-4-11)25(18,23)24/h3-10,20,22H,1-2H3,(H2,18,23,24)"	CN(C)C1=CC2=C(C=C1)NC(=C2C=NC3=CC=C(C=C3)S(=O)(=O)N)O	NMIBTJKGMMFLAN-UHFFFAOYSA-N
DG68662	4-[[5-(Isobutoxycarbonyl)-2-oxoindoline-3-ylidenemethyl]amino]benzenesulfonamide	135421141	"GW416981X; GSK screening, 33; CHEMBL269883; SCHEMBL5425650; SCHEMBL5425654; CHEMBL3194490; SCHEMBL14040791; SCHEMBL18330997; BDBM153736; HMS3303L15; HMS3305N08; NSC756227; NSC-756227; NCGC00242104-01; AB01092355-01; 4-[[5-(Isobutoxycarbonyl)-2-oxoindoline-3-ylidenemethyl]amino]benzenesulfonamide; 2-Oxo-3-(4-sulfamoyl-phenylamino-methylene)-2,3-dihydro-1H-indole-5-carboxylic acid isobutyl ester; 2-Oxo-3-(4-sulfamoyl-phenylamino-methylene)-2,3dihydro-1H-indole-5-carboxylic Acid Isobutyl Ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756227	.	.	.	.	415.5	C20H21N3O5S	143	697	3.1	29	3	7	7	"InChI=1S/C20H21N3O5S/c1-12(2)11-28-20(25)13-3-8-18-16(9-13)17(19(24)23-18)10-22-14-4-6-15(7-5-14)29(21,26)27/h3-10,12,23-24H,11H2,1-2H3,(H2,21,26,27)"	CC(C)COC(=O)C1=CC2=C(C=C1)NC(=C2C=NC3=CC=C(C=C3)S(=O)(=O)N)O	GULJQUMNCSFQCO-UHFFFAOYSA-N
DG68663	"GSK screening, 32"	135421144	"GW297361X; GW589933X; GSK screening, 32; CHEMBL271595; CHEMBL1794055; BDBM153735; HMS3303D16; HMS3303F21; HMS3305D17; HMS3305N19; NSC756210; NSC756288; NSC-756210; NSC-756288; NCGC00242111-01; NCGC00242176-01; AB01092345-01; AB01092356-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756210	.	.	.	.	372.4	C16H12N4O3S2	158	615	2.3	25	3	7	3	"InChI=1S/C16H12N4O3S2/c17-25(22,23)10-3-1-9(2-4-10)18-7-11-14-12(20-16(11)21)5-6-13-15(14)24-8-19-13/h1-8,20-21H,(H2,17,22,23)"	C1=CC(=CC=C1N=CC2=C(NC3=C2C4=C(C=C3)N=CS4)O)S(=O)(=O)N	OTEUBDUXVNFEFC-UHFFFAOYSA-N
DG68665	Beacon Red	135421797	"Acid Chrome Red B; Beacon Red; Eniacromo Red B; Hispacrom Red B; Magracrom Red A; Fenakrom Red R; Brilliant Lake B; Kenachrome Red B; Solochrome Red B; Carmine 3B; Diamond Red BHA; Lake Scarlet 3B; Pontachrome Red B; Superchrome Red B; Eriochrome Red PE; Resamine Pink 3B; Siloton Red 3B; Solochrome Red BS; Pigment Red 60; Irgasol Red 3BNS; Acid Chrome Red A; Brilliant Lake PBB; Chrome Fast Red P; Monosol Scarlet 3B; Pigment Scarlet 3B; Scarlet Toner H3B; Silotermo Scarlet B; Tertrochrome Red AB; Eriochrome Red PE1; Kromon Geranium Lake; Monochrome Red 2GL; Java Chrome Red PE; Acid Alizarin Red B; Hudson Chrome Red B; Monosol Scarlet 3BS; Brilliant Carmine 3B; Chrome Fast Red 3B; Diamond Fast Red BT; Lithosol Scarlet 3BI; Omega Chrome Red SB; Pigment Scarlet 25A; Versal Scarlet 3BBA; Azochromol Telesio Red; Pigment Scarlet 829; Acid Anthracene Red G; Salicine Chrome Red B; Pigment Scarlet 25AD; Chromacid Fast Red 3B; Kiton Fast Scarlet 3B; C.I. Mordant Red 9; Alizarine Chrome Red BG; Lighthouse Chrome Red B; Syton Fast Geranium 3B; Pigment Fast Scarlet 3B; Solochrome Leather Pink B; Alizarine Acid Red B Extra; Sanyo Brilliant Carmine 3B; Pigment Scarlet CP-1394; Dainichi Pigment Scarlet 3B; Oralith Scarlet 3B Water Soluble; C.I. Mordant Red 9, trisodium salt; Ext. D and C Red No. 2; C.I. 16105; Benzoic acid,6-disulfo-1-naphthalenyl)azo]-, trisodium salt; NSC12455; NSC47705; NSC-12455; NSC-47705"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12455	.	.	.	.	475.4	C17H12N2NaO9S2+	208	878	.	31	4	11	5	"InChI=1S/C17H12N2O9S2.Na/c20-16-14(30(26,27)28)8-9-7-10(29(23,24)25)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21)22;/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28);/q;+1"	C1=CC=C(C(=C1)C(=O)O)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O.[Na+]	QUWBMHATQKBBOD-UHFFFAOYSA-N
DG68666	Azure C	135421845	"Azure C; 531-57-7; Monomethylthionine; Methylene Azure C; azurec; Monomethylthionine chloride; 3-Amino-7-methylaminophenothiazin-5-ium chloride; UNII-JGC8OHD9Z9; 7-methyliminophenothiazin-10-ium-3-amine;chloride; Monomethyldiaminodiphenazothionium chloride; N-Methylthionine; JGC8OHD9Z9; CHEBI:87641; 3-amino-7-(methylamino)phenothiazin-5-ium chloride; MFCD00067677; Azure C (VAN); AZUR C; EINECS 208-512-8; NSC 16165; C13H12N3S.Cl; CCRIS 9313; Azzurro C; 3-Imino-7-(methylamino)-3H-phenothiazine hydrochloride; C.I. 52002; SCHEMBL333986; Azure C, Dye content 40 %; CHEMBL261368; Phenothiazin-5-ium, 3-amino-7-methylamino-, chloride; SCHEMBL1813064; SCHEMBL1813066; DTXSID2040159; Azur C (C.I. 52002); NSC16165; 6107AF; NSC-16165; AKOS015916295; CS-0205244; FT-0622540; Q27159794"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	16165	.	.	.	.	277.77	C13H12ClN3S	77.6	448	.	18	2	4	0	"InChI=1S/C13H11N3S.ClH/c1-15-9-3-5-11-13(7-9)17-12-6-8(14)2-4-10(12)16-11;/h2-7H,14H2,1H3;1H"	CN=C1C=CC2=[NH+]C3=C(C=C(C=C3)N)SC2=C1.[Cl-]	DDGMDTGNGDOUPX-UHFFFAOYSA-N
DG68667	3-(Diethylamino)-7-[(2Z)-2-(2-oxonaphthalen-1(2H)-ylidene)hydrazinyl]-5-phenylphenazin-5-ium chloride	135421850	"4569-84-0; Phenazinium (8CI),chloride; CHEMBL1998605; DTXSID90714922; NSC16222; NSC-16222; 3-(Diethylamino)-7-[(2Z)-2-(2-oxonaphthalen-1(2H)-ylidene)hydrazinyl]-5-phenylphenazin-5-ium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	16222	.	.	.	.	534	C32H28ClN5O	65	782	.	39	1	6	6	"InChI=1S/C32H27N5O.ClH/c1-3-36(4-2)25-16-18-28-30(21-25)37(24-11-6-5-7-12-24)29-20-23(15-17-27(29)33-28)34-35-32-26-13-9-8-10-22(26)14-19-31(32)38;/h5-21H,3-4H2,1-2H3;1H"	CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N=NC4=C(C=CC5=CC=CC=C54)O)N=C2C=C1)C6=CC=CC=C6.[Cl-]	KLHTUABFONQJOH-UHFFFAOYSA-N
DG68668	Pubchem_54602459	135421951	6300-67-0; DTXSID20713362; PUBCHEM_54602459; NSC45182; NSC-45182	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45182	.	.	.	.	449.4	C16H11FN2NaO7S2+	170	785	.	29	3	10	4	"InChI=1S/C16H11FN2O7S2.Na/c17-10-1-3-11(4-2-10)18-19-15-13-6-5-12(27(21,22)23)7-9(13)8-14(16(15)20)28(24,25)26;/h1-8,20H,(H,21,22,23)(H,24,25,26);/q;+1"	C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O)F.[Na+]	RPOHPYQEHKFTDR-UHFFFAOYSA-N
DG68669	Cetil Orange RR	135421986	"Cetil Orange RR; Acid Orange R; Colacid Orange R; Acid Ponceau 2G; Kiton Ponceau 2G; Croceine Orange 2R; Brilliant Orange 2R; Kayaku Acid Orange G; Tertracid Orange P2G; C.I. Acid Orange 14; Naphthalene Lake Orange R; C.I. 16100; acid orange 14; C.I. ACID ORANGE 14, DISODIUM SALT; NSC45548; NSC-45548; 2, 3-hydroxy-4-(phenylazo)-, disodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45548	.	.	.	.	431.4	C16H12N2NaO7S2+	170	751	.	28	3	9	4	"InChI=1S/C16H12N2O7S2.Na/c19-16-14(27(23,24)25)9-10-8-12(26(20,21)22)6-7-13(10)15(16)18-17-11-4-2-1-3-5-11;/h1-9,19H,(H,20,21,22)(H,23,24,25);/q;+1"	C1=CC=C(C=C1)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O.[Na+]	WYCBCDZIPXSHFH-UHFFFAOYSA-N
DG68670	Pubchem_54605624	135421996	6970-22-5; DTXSID00714099; PUBCHEM_54605624; NSC45561; NSC-45561	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45561	.	.	.	.	445.4	C17H14N2NaO7S2+	170	779	.	29	3	9	4	"InChI=1S/C17H14N2O7S2.Na/c1-10-2-5-12(6-3-10)18-19-17-14(20)7-4-11-8-13(27(21,22)23)9-15(16(11)17)28(24,25)26;/h2-9,20H,1H3,(H,21,22,23)(H,24,25,26);/q;+1"	CC1=CC=C(C=C1)N=NC2=C(C=CC3=CC(=CC(=C32)S(=O)(=O)O)S(=O)(=O)O)O.[Na+]	CHUHDIFTHJSSHO-UHFFFAOYSA-N
DG68671	Diacromo Blue G	135422057	"Diacromo Blue G; Hispacrom Blue BG; Alizarine Blue OCB; Tertrochrome Blue B; Durochrome cyanine G; Superchrome Blue BC; Superchrome Blue BG; Durochrome Blue OCG; Kenachrome Black 6B; Eriochrome Blue Black; Solochrome Black 6BN; Chrome Blue Black BF; Chrome Fast Cyanine G; Fast Chrome Cyanine G; Diamond Blue Black AE; Diamond Blue Black EB; Solochromate Black 6BN; Chrome Fast Cyanine BP; Chrome Fast Cyanine GN; Chrome Fast Cyanine GP; Fenakrom Blue Black EB; Chromazine Blue Black B; Chromocard Blue Black B; Fast Chrome Cyanine 6B; C.I. Mordant Black 3; Chrome Fast Cyanine GNN; Chrome Fast Cyanine GSS; Salicine Blue Black AEF; Sunchromine Blue Black B; Azochromol Blue Black EB; Eriochrome Blue Black BC; Eriochrome Blue Black 2B; Eriochrome Blue Black 2G; Calcochrome Blue Black BC; Pontachrome Blue Black BB; Alizarine Blue Black OCBN; Alizarine Blue Black OCGN; Alizarine Blue Black OCGP; Eriochrome Blue Black BSS; Eriochrome Blue Black 2BP; Omega Chrome Blue Black B; Java Chrome Blue Black BN; Lighthouse Chrome Black 6B; Diamond Blue Black EBS-CF; Durochrome Fast Cyanine 6BN; Mitsui Chrome Blue Black BC; Eriochrome Blue Black BC new; C.I. Mordant Black 3, monosodium salt; C.I. 14640; NSC47715; NSC-47715"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	47715	.	.	.	.	417.4	C20H14N2NaO5S+	128	679	.	29	3	7	3	"InChI=1S/C20H14N2O5S.Na/c23-17-11-18(28(25,26)27)14-7-3-4-8-15(14)19(17)22-21-16-10-9-12-5-1-2-6-13(12)20(16)24;/h1-11,23-24H,(H,25,26,27);/q;+1"	C1=CC=C2C(=C1)C=CC(=C2O)N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)O)O.[Na+]	HOWITLLZNKSJOJ-UHFFFAOYSA-N
DG68672	"5,7-dibromo-2-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]quinolin-8-ol"	135422273	"MLS002702871; NSC67091; 913527-07-8; SMR001566689; 5,7-dibromo-2-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]quinolin-8-ol; AC1OB7T2; NSC-67091; CHEMBL1877767; DTXSID30425565; NCI67091; ZINC3954103; CCG-37271; SR-01000879616; SR-01000879616-2; 5,7-Dibromo-2-(2-(2-hydroxynaphthalen-1-yl)vinyl)quinolin-8-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67091	.	.	.	.	471.1	C21H13Br2NO2	53.4	516	6.4	26	2	3	2	"InChI=1S/C21H13Br2NO2/c22-17-11-18(23)21(26)20-16(17)9-7-13(24-20)6-8-15-14-4-2-1-3-12(14)5-10-19(15)25/h1-11,25-26H/b8-6+"	C1=CC=C2C(=C1)C=CC(=C2/C=C/C3=NC4=C(C=C3)C(=CC(=C4O)Br)Br)O	NGEIVDFIXGKIKP-SOFGYWHQSA-N
DG68673	NSC67586	135422275	"(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-[[(7-oxo-1,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)amino]methyl]-4,4a,5,5a-tetrahydrotetracene-2-carboxamide; NSC67586; CHEMBL2004439; ZINC4758907; NSC-67586; NCI60_026780; (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-[[(7-oxo-1,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)amino]methyl]-4,4a,5,5a-tetrahydrotetracene-2-carboxamide; 2-Naphthacenecarboxamide,7-dihydro-7-oxo-1H-1,2,3-triazolo[4,5-d]pyrimidin-5-yl)amino]methyl]-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, [4S-(4.alpha.,4a.alpha.,5a.alpha.,6.beta.,12a.alpha.)]-; 2-Naphthacenecarboxamide,7-dihydro-7-oxo-v-triazolo[4,5-d]pyrimidin-5-ylamino)methyl]-4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-; 2-Naphthacenecarboxamide,N-[(6,7-dihydro-7-oxo-v-triazolo[4,5-d]pyrimidin-5-ylamino)methyl]-4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67586	.	.	.	.	608.6	C27H28N8O9	263	1410	-0.6	44	9	13	5	"InChI=1S/C27H28N8O9/c1-26(43)9-5-4-6-12(36)13(9)18(37)14-10(26)7-11-17(35(2)3)19(38)15(21(40)27(11,44)20(14)39)23(41)28-8-29-25-30-22-16(24(42)31-25)32-34-33-22/h4-6,10-11,17,36-37,40,43-44H,7-8H2,1-3H3,(H,28,41)(H3,29,30,31,32,33,34,42)/t10-,11-,17-,26+,27-/m0/s1"	C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCNC5=NC6=NNN=C6C(=O)N5)N(C)C)O	LFFMUKHLXGZVEC-YJQNBQOQSA-N
DG68674	"2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-1,8-dihydropurin-6-one"	135422750	NSC618270; CHEMBL1975058; NSC-618270; NCI60_005503	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618270	.	.	.	.	299.28	C11H17N5O5	144	535	-2.3	21	5	8	2	"InChI=1S/C11H17N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h4,6-7,10,17-19H,2-3H2,1H3,(H3,12,13,14,20)"	CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)CO)O)O	ZBDDPUHBOFHFRK-UHFFFAOYSA-N
DG68675	"5-(4-Cyano-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol"	135422862	"NSC673099; 5-(4-Cyano-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol; CHEMBL1976613; NSC-673099; NCI60_025878; 4-(4-hydroxy-2,6-dimethyl-pyrimidin-5-yl)piperazine-1-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673099	.	.	.	.	233.27	C11H15N5O	71.7	448	0.1	17	1	5	1	"InChI=1S/C11H15N5O/c1-8-10(11(17)14-9(2)13-8)16-5-3-15(7-12)4-6-16/h3-6H2,1-2H3,(H,13,14,17)"	CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)C#N	NKPUYTKJVMJWLO-UHFFFAOYSA-N
DG68676	"2-Acetylimidazo[4,5-b]pyridin 4 p-chlorophenyl 3 thiosemicarbazone"	135424828	"CHEMBL1979725; NSC674103; NSC-674103; 2-Acetylimidazo[4,5-b]pyridin 4 p-chlorophenyl 3 thiosemicarbazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674103	.	.	.	.	344.8	C15H13ClN6S	110	451	3.2	23	3	4	3	"InChI=1S/C15H13ClN6S/c1-9(13-19-12-3-2-8-17-14(12)20-13)21-22-15(23)18-11-6-4-10(16)5-7-11/h2-8H,1H3,(H,17,19,20)(H2,18,22,23)/b21-9+"	C/C(=N\\NC(=S)NC1=CC=C(C=C1)Cl)/C2=NC3=C(N2)C=CC=N3	MHSFNYLHBQHYNH-ZVBGSRNCSA-N
DG68677	"N,N-Dibenzyl-4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinesulfonamide"	135426540	"NSC673104; CHEMBL1974444; NSC-673104; NCI60_025883; N,N-Dibenzyl-4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinesulfonamide; N,N-dibenzyl-4-(4-hydroxy-2,6-dimethyl-pyrimidin-5-yl)piperazine-1-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673104	.	.	.	.	467.6	C24H29N5O3S	93.7	839	1.9	33	1	7	7	"InChI=1S/C24H29N5O3S/c1-19-23(24(30)26-20(2)25-19)27-13-15-28(16-14-27)33(31,32)29(17-21-9-5-3-6-10-21)18-22-11-7-4-8-12-22/h3-12H,13-18H2,1-2H3,(H,25,26,30)"	CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)S(=O)(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4	WXJOVGZUFNTYFG-UHFFFAOYSA-N
DG68678	"2-amino-9-[[(1S,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl]-1H-purin-6-one"	135426587	NSC700350; CHEMBL223474; NSC-700350; NCI60_036018	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700350	.	.	.	.	305.38	C15H23N5O2	106	506	0.7	22	3	4	3	"InChI=1S/C15H23N5O2/c1-14(2)9(4-5-15(14,3)7-21)6-20-8-17-10-11(20)18-13(16)19-12(10)22/h8-9,21H,4-7H2,1-3H3,(H3,16,18,19,22)/t9-,15+/m1/s1"	C[C@]1(CC[C@@H](C1(C)C)CN2C=NC3=C2N=C(NC3=O)N)CO	WMHBKNWGRBZDNK-PSLIRLAXSA-N
DG68679	NSC701021	135426590	"8-(4-Chlorophenyl)-6-oxo-2,3,5,11,12-pentazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),3,7,9,11,14,16,18,20-nonaene-7-carbonitrile; NSC701021; CHEMBL2004233; NSC-701021; NCI60_036306"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701021	.	.	.	.	422.8	C23H11ClN6O	96	829	3.5	31	1	5	1	"InChI=1S/C23H11ClN6O/c24-14-8-5-13(6-9-14)18-16(11-25)23(31)26-21-19(18)22-28-27-20-15-4-2-1-3-12(15)7-10-17(20)30(22)29-21/h1-10H,(H,26,29,31)"	C1=CC=C2C(=C1)C=CC3=C2N=NC4=C5C(=C(C(=O)NC5=NN34)C#N)C6=CC=C(C=C6)Cl	AGHGGXIUGZFCRY-UHFFFAOYSA-N
DG68680	"6-Amino-13-(4-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile"	135426591	NSC701022; CHEMBL1967092; NSC-701022; NCI60_036307	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701022	.	.	.	.	362.73	C16H7ClN8O	146	742	1.1	26	2	7	1	"InChI=1S/C16H7ClN8O/c17-8-3-1-7(2-4-8)11-9(5-18)16(26)21-14-12(11)15-23-22-10(6-19)13(20)25(15)24-14/h1-4H,20H2,(H,21,24,26)"	C1=CC(=CC=C1C2=C(C(=O)NC3=NN4C(=C(N=NC4=C23)C#N)N)C#N)Cl	NTJFZBYVIMRRHR-UHFFFAOYSA-N
DG68681	6-hexyl-7-hydroxy-2-imino-N-phenyl-2H-chromene-3-carboxamide	135426592	NSC701074; CHEMBL1992383; ZINC3896059; 6-Hexyl-7-hydroxy-2-imino-2H-chromene-3-carboxylic acid phenylamide; STK805697; AKOS000512157; MCULE-1875753888; NSC-701074; NCI60_036324; SR-01000390215; SR-01000390215-1; 6-hexyl-7-hydroxy-2-imino-N-phenyl-2H-chromene-3-carboxamide; 313497-14-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	701074	.	.	.	.	364.4	C22H24N2O3	82.4	554	5.7	27	3	4	7	"InChI=1S/C22H24N2O3/c1-2-3-4-6-9-15-12-16-13-18(21(23)27-20(16)14-19(15)25)22(26)24-17-10-7-5-8-11-17/h5,7-8,10-14,23,25H,2-4,6,9H2,1H3,(H,24,26)"	CCCCCCC1=C(C=C2C(=C1)C=C(C(=N)O2)C(=O)NC3=CC=CC=C3)O	RSZWSKKQSBCVGA-UHFFFAOYSA-N
DG68682	(Z)-3-ethoxy-N-(4-fluorophenyl)-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide	135426608	NSC703899; NSC-703899; NCI60_037094	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703899	.	.	.	.	321.35	C16H20FN3O3	85.6	467	2.4	23	3	5	6	"InChI=1S/C16H20FN3O3/c1-2-23-16(22)13(14(18)20-9-3-4-10-20)15(21)19-12-7-5-11(17)6-8-12/h5-8,18,22H,2-4,9-10H2,1H3,(H,19,21)/b16-13-,18-14 "	CCO/C(=C(/C(=N)N1CCCC1)\\C(=O)NC2=CC=C(C=C2)F)/O	DEZPICVCNXNYIC-BURJPGGPSA-N
DG68683	"N-(naphthalen-1-ylmethyl)-1,1-dioxo-2-phenyl-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine"	135426615	NSC704082; CHEMBL1974233; NSC-704082; NCI60_037118	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704082	.	.	.	.	414.5	C23H18N4O2S	83	728	3.8	30	1	4	3	"InChI=1S/C23H18N4O2S/c28-30(29)22-16-24-14-13-21(22)26-23(27(30)19-10-2-1-3-11-19)25-15-18-9-6-8-17-7-4-5-12-20(17)18/h1-14,16H,15H2,(H,25,26)"	C1=CC=C(C=C1)N2C(=NCC3=CC=CC4=CC=CC=C43)NC5=C(S2(=O)=O)C=NC=C5	RWHMXTBQLHCYTM-UHFFFAOYSA-N
DG68684	2-amino-7-oxo-N-pyridin-2-ylchromene-3-carboxamide	135426625	MLS000714328; SMR000274308; NSC704394; BAS 01020669; Oprea1_242818; Oprea1_326199; 2-amino-7-oxo-N-pyridin-2-ylchromene-3-carboxamide; cid_397081; CHEMBL1559370; BDBM51146; ZINC4639031; STL072265; AKOS000512156; MCULE-4714554403; NSC-704394; NCI60_037272; SR-01000314973; SR-01000314973-1; 2-amino-7-keto-N-(2-pyridyl)chromene-3-carboxamide; 2-amino-7-oxo-N-(2-pyridinyl)-1-benzopyran-3-carboxamide; 2-azanyl-7-oxidanylidene-N-pyridin-2-yl-chromene-3-carboxamide; 7-hydroxy-2-imino-N-(pyridin-2-yl)-2H-chromene-3-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704394	.	.	.	.	281.27	C15H11N3O3	95.3	463	2	21	3	5	2	"InChI=1S/C15H11N3O3/c16-14-11(15(20)18-13-3-1-2-6-17-13)7-9-4-5-10(19)8-12(9)21-14/h1-8,16,19H,(H,17,18,20)"	C1=CC=NC(=C1)NC(=O)C2=CC3=C(C=C(C=C3)O)OC2=N	SVOLOBZEQBXJPW-UHFFFAOYSA-N
DG68685	2-Anilino-7-oxochromene-3-carboxamide	135426627	"2-anilino-7-oxochromene-3-carboxamide; 915372-47-3; MLS000078931; SMR000038296; 2H-1-Benzopyran-3-carboxamide, 7-hydroxy-2-(phenylimino)-, (2Z)-; NSC704428; Oprea1_091599; Oprea1_827289; cid_397115; CHEMBL1975950; CHEMBL3193298; BDBM30710; DTXSID50327931; HMS2274A04; ZINC190451; STK030831; AKOS005380788; MCULE-3900195056; NSC-704428; 2-anilino-7-keto-chromene-3-carboxamide; NCI60_037281; 2-anilino-7-oxo-1-benzopyran-3-carboxamide; 7-hydroxy-2-phenyliminochromene-3-carboxamide; SR-01000393639; SR-01000393639-1; 7-hydroxy-2-(phenylimino)-2H-chromene-3-carboxamide; 7-oxidanylidene-2-phenylazanyl-chromene-3-carboxamide; (2Z)-7-hydroxy-2-(phenylimino)-2H-chromene-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704428	.	.	.	.	280.28	C16H12N2O3	84.9	466	2.5	21	2	4	2	"InChI=1S/C16H12N2O3/c17-15(20)13-8-10-6-7-12(19)9-14(10)21-16(13)18-11-4-2-1-3-5-11/h1-9,19H,(H2,17,20)"	C1=CC=C(C=C1)N=C2C(=CC3=C(O2)C=C(C=C3)O)C(=O)N	HWFCJTQLOXHQHQ-UHFFFAOYSA-N
DG68686	"1-benzyl-N-cyclohexyl-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-amine"	135426651	"NSC705840; CHEMBL1981680; DNDI1388178; STK676309; ZINC01863738; AKOS005594244; MCULE-1260906408; NSC-705840; NCI60_037686; EU-0052413; SR-01000528674; SR-01000528674-1; 1-benzyl-N-cyclohexyl-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705840	.	.	.	.	347.5	C23H29N3	27.6	462	4.7	26	1	2	3	"InChI=1S/C23H29N3/c1-18-16-23(24-20-12-6-3-7-13-20)25-21-14-8-9-15-22(21)26(18)17-19-10-4-2-5-11-19/h2,4-5,8-11,14-15,18,20H,3,6-7,12-13,16-17H2,1H3,(H,24,25)"	CC1CC(=NC2CCCCC2)NC3=CC=CC=C3N1CC4=CC=CC=C4	GYUWWNGCFSDGRK-UHFFFAOYSA-N
DG68687	"5-benzyl-4-imino-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-amine"	135426658	NSC706031; CHEMBL1974211; NSC-706031; NCI60_037804	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706031	.	.	.	.	329.4	C20H19N5	67.3	492	4.3	25	3	3	4	"InChI=1S/C20H19N5/c1-14-17(12-15-8-4-2-5-9-15)18-19(21)25(13-22-20(18)23-14)24-16-10-6-3-7-11-16/h2-11,13,21,23-24H,12H2,1H3"	CC1=C(C2=C(N1)N=CN(C2=N)NC3=CC=CC=C3)CC4=CC=CC=C4	ZPXCEHBWELQWRF-UHFFFAOYSA-N
DG68688	1-(4-chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]thiourea	135426662	NSC706040; CHEMBL2006292; NSC-706040; NCI60_037813	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706040	.	.	.	.	358.8	C12H11ClN4O3S2	140	631	2	22	3	5	3	"InChI=1S/C12H11ClN4O3S2/c1-7-6-10(18)16-12(14-7)22(19,20)17-11(21)15-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,16,18)(H2,15,17,21)"	CC1=CC(=O)NC(=N1)S(=O)(=O)NC(=S)NC2=CC=C(C=C2)Cl	YGWXGECBLBWYSX-UHFFFAOYSA-N
DG68689	"2,2,2-trifluoro-1-[2-methyl-2-propan-2-yl-4-(trifluoromethyl)-1H-benzo[h]quinazolin-6-yl]ethanone"	135426671	NSC706491; CHEMBL1966013; NSC-706491; NCI60_037959	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706491	.	.	.	.	402.3	C19H16F6N2O	41.5	656	6.2	28	1	9	2	"InChI=1S/C19H16F6N2O/c1-9(2)17(3)26-14-11-7-5-4-6-10(11)12(16(28)19(23,24)25)8-13(14)15(27-17)18(20,21)22/h4-9,26H,1-3H3"	CC(C)C1(NC2=C(C=C(C3=CC=CC=C32)C(=O)C(F)(F)F)C(=N1)C(F)(F)F)C	DHOGJOPTAKYHTD-UHFFFAOYSA-N
DG68690	(Z)-N-[(Z)-(5-bromo-2-oxo-indolin-3-ylidene)amino]-4-(4-chlorophenyl)-2-hydroxy-4-oxo-but-2-enamide	135426685	"(Z)-N-[(Z)-(5-bromo-2-oxo-indolin-3-ylidene)amino]-4-(4-chlorophenyl)-2-hydroxy-4-oxo-but-2-enamide; NSC707059; SCHEMBL6721007; CHEMBL1986370; AKOS000581915; MCULE-8540022931; NSC-707059; NCI60_038066; 2-Butenoic acid, 4-(4-chlorophenyl)-2-hydroxy-4-oxo-, [(3Z)-5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene]hydrazide, (2Z)-; 5405-35-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707059	.	.	.	.	448.7	C18H11BrClN3O4	115	636	5.3	27	3	5	4	"InChI=1S/C18H11BrClN3O4/c19-10-3-6-13-12(7-10)16(18(27)21-13)22-23-17(26)15(25)8-14(24)9-1-4-11(20)5-2-9/h1-8,21,24,27H/b14-8-,23-22 "	C1=CC(=CC=C1/C(=C/C(=O)C(=O)N=NC2=C(NC3=C2C=C(C=C3)Br)O)/O)Cl	BUCFALJOQKQOFN-GENUSMHZSA-N
DG68691	ethyl 3-amino-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-7-nitroquinoxalin-2-yl]-3-oxopropanoate	135426689	NSC707075; CHEMBL2001786; NSC-707075; NCI60_038074	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707075	.	.	.	.	436.4	C22H20N4O6	161	730	2.5	32	2	8	7	"InChI=1S/C22H20N4O6/c1-3-32-22(29)19(21(23)28)20-17(11-18(27)13-6-4-12(2)5-7-13)24-15-9-8-14(26(30)31)10-16(15)25-20/h4-11,19,27H,3H2,1-2H3,(H2,23,28)/b18-11-"	CCOC(=O)C(C1=NC2=C(C=CC(=C2)[N+](=O)[O-])N=C1/C=C(/C3=CC=C(C=C3)C)\\O)C(=O)N	VPDZLIMLTUYFES-WQRHYEAKSA-N
DG68692	N-(2-fluorophenyl)-2-(2-fluorophenyl)imino-7-hydroxychromene-3-carboxamide	135426693	NSC709563; CHEMBL1997942; NSC-709563; NCI60_038651	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709563	.	.	.	.	392.4	C22H14F2N2O3	70.9	668	4.6	29	2	6	3	"InChI=1S/C22H14F2N2O3/c23-16-5-1-3-7-18(16)25-21(28)15-11-13-9-10-14(27)12-20(13)29-22(15)26-19-8-4-2-6-17(19)24/h1-12,27H,(H,25,28)"	C1=CC=C(C(=C1)NC(=O)C2=CC3=C(C=C(C=C3)O)OC2=NC4=CC=CC=C4F)F	SQNRYFRSPCYXID-UHFFFAOYSA-N
DG68693	N-(2-fluorophenyl)-2-(3-fluorophenyl)imino-7-hydroxychromene-3-carboxamide	135426694	NSC709564; CHEMBL1982260; NSC-709564; NCI60_038652	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709564	.	.	.	.	392.4	C22H14F2N2O3	70.9	668	4.6	29	2	6	3	"InChI=1S/C22H14F2N2O3/c23-14-4-3-5-15(11-14)25-22-17(10-13-8-9-16(27)12-20(13)29-22)21(28)26-19-7-2-1-6-18(19)24/h1-12,27H,(H,26,28)"	C1=CC=C(C(=C1)NC(=O)C2=CC3=C(C=C(C=C3)O)OC2=NC4=CC(=CC=C4)F)F	SXENSPNEYWGLLZ-UHFFFAOYSA-N
DG68694	N-(2-fluorophenyl)-7-hydroxy-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide	135426695	NSC709566; CHEMBL1965262; NSC-709566; NCI60_038653	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709566	.	.	.	.	442.4	C23H14F4N2O3	70.9	754	5.4	32	2	8	3	"InChI=1S/C23H14F4N2O3/c24-18-6-1-2-7-19(18)29-21(31)17-10-13-8-9-16(30)12-20(13)32-22(17)28-15-5-3-4-14(11-15)23(25,26)27/h1-12,30H,(H,29,31)"	C1=CC=C(C(=C1)NC(=O)C2=CC3=C(C=C(C=C3)O)OC2=NC4=CC=CC(=C4)C(F)(F)F)F	QLOQZUDCKIKBNZ-UHFFFAOYSA-N
DG68695	N-(3-fluorophenyl)-2-(3-fluorophenyl)imino-7-hydroxychromene-3-carboxamide	135426697	NSC709568; CHEMBL1996750; NSC-709568; NCI60_038655	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709568	.	.	.	.	392.4	C22H14F2N2O3	70.9	668	4.6	29	2	6	3	"InChI=1S/C22H14F2N2O3/c23-14-3-1-5-16(10-14)25-21(28)19-9-13-7-8-18(27)12-20(13)29-22(19)26-17-6-2-4-15(24)11-17/h1-12,27H,(H,25,28)"	C1=CC(=CC(=C1)F)NC(=O)C2=CC3=C(C=C(C=C3)O)OC2=NC4=CC(=CC=C4)F	KVKGQEJNCSMXBA-UHFFFAOYSA-N
DG68696	N-(4-fluorophenyl)-2-(2-fluorophenyl)imino-7-hydroxychromene-3-carboxamide	135426698	NSC709570; CHEMBL1981817; NSC-709570; NCI60_038656	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709570	.	.	.	.	392.4	C22H14F2N2O3	70.9	660	4.6	29	2	6	3	"InChI=1S/C22H14F2N2O3/c23-14-6-8-15(9-7-14)25-21(28)17-11-13-5-10-16(27)12-20(13)29-22(17)26-19-4-2-1-3-18(19)24/h1-12,27H,(H,25,28)"	C1=CC=C(C(=C1)N=C2C(=CC3=C(O2)C=C(C=C3)O)C(=O)NC4=CC=C(C=C4)F)F	VCLLPSXBRNMLCE-UHFFFAOYSA-N
DG68697	6-hexyl-7-hydroxy-2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide	135426702	NSC709580; CHEMBL1972654; NSC-709580; NCI60_038661	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709580	.	.	.	.	432.4	C23H23F3N2O3	82.4	680	6.5	31	3	7	7	"InChI=1S/C23H23F3N2O3/c1-2-3-4-5-7-14-10-15-11-18(21(27)31-20(15)13-19(14)29)22(30)28-17-9-6-8-16(12-17)23(24,25)26/h6,8-13,27,29H,2-5,7H2,1H3,(H,28,30)"	CCCCCCC1=C(C=C2C(=C1)C=C(C(=N)O2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)O	LTVWRMGDSCZKEP-UHFFFAOYSA-N
DG68698	N-(4-fluorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide	135426703	NSC709581; CHEMBL1981490; NSC-709581; NCI60_038662	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709581	.	.	.	.	382.4	C22H23FN2O3	82.4	586	5.8	28	3	5	7	"InChI=1S/C22H23FN2O3/c1-2-3-4-5-6-14-11-15-12-18(21(24)28-20(15)13-19(14)26)22(27)25-17-9-7-16(23)8-10-17/h7-13,24,26H,2-6H2,1H3,(H,25,27)"	CCCCCCC1=C(C=C2C(=C1)C=C(C(=N)O2)C(=O)NC3=CC=C(C=C3)F)O	WSSYFNVGQGIFCE-UHFFFAOYSA-N
DG68699	ethyl N-(4-hydroxynaphthalene-1-carbothioyl)carbamate	135426705	NSC710013; CHEMBL1981391; ZINC01658350; NSC-710013; NCI60_038748	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710013	.	.	.	.	275.32	C14H13NO3S	90.6	348	3.2	19	2	4	3	"InChI=1S/C14H13NO3S/c1-2-18-14(17)15-13(19)11-7-8-12(16)10-6-4-3-5-9(10)11/h3-8,16H,2H2,1H3,(H,15,17,19)"	CCOC(=O)NC(=S)C1=CC=C(C2=CC=CC=C21)O	NHMSSUPUELKLPU-UHFFFAOYSA-N
DG68700	2-[[3-(4-chlorophenyl)-3-methyl-2H-isoindol-1-ylidene]amino]ethanol	135426706	NCI60_038783; CHEMBL1994246; NSC710121; NSC-710121	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710121	.	.	.	.	300.8	C17H17ClN2O	44.6	392	2.7	21	2	2	3	"InChI=1S/C17H17ClN2O/c1-17(12-6-8-13(18)9-7-12)15-5-3-2-4-14(15)16(20-17)19-10-11-21/h2-9,21H,10-11H2,1H3,(H,19,20)"	CC1(C2=CC=CC=C2C(=NCCO)N1)C3=CC=C(C=C3)Cl	BTXODMFYERUALL-UHFFFAOYSA-N
DG68701	"6-(1-Methyl-1H-indol-3-yl)-3-(4-chlorophenyl)-1,2,4-triazin-5(2H)-one"	135426708	"NSC710328; CHEMBL1995278; ZINC04627899; NSC-710328; NCI60_038818; 6-(1-Methyl-1H-indol-3-yl)-3-(4-chlorophenyl)-1,2,4-triazin-5(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710328	.	.	.	.	336.8	C18H13ClN4O	58.8	567	3.3	24	1	3	2	"InChI=1S/C18H13ClN4O/c1-23-10-14(13-4-2-3-5-15(13)23)16-18(24)20-17(22-21-16)11-6-8-12(19)9-7-11/h2-10H,1H3,(H,20,22,24)"	CN1C=C(C2=CC=CC=C21)C3=NN=C(NC3=O)C4=CC=C(C=C4)Cl	DCHLORIPYBPNHK-UHFFFAOYSA-N
DG68702	"6H-Pyrazolo[3,5-kl]acridine-5-carboxamide, N,N'-[methyliminobis(3,1-propanediyl)] bis[2-[2-(dimethylamino)ethyl]-"	135426709	"NSC710551; CHEMBL362087; NSC-710551; NCI60_038912; 6H-Pyrazolo[3,5-kl]acridine-5-carboxamide, N,N'-[methyliminobis(3,1-propanediyl)] bis[2-[2-(dimethylamino)ethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710551	.	.	.	.	753.9	C43H51N11O2	128	1220	4.7	56	4	9	16	"InChI=1S/C43H51N11O2/c1-50(2)24-26-53-34-18-16-30(38-36(34)40(48-53)28-12-6-8-14-32(28)46-38)42(55)44-20-10-22-52(5)23-11-21-45-43(56)31-17-19-35-37-39(31)47-33-15-9-7-13-29(33)41(37)49-54(35)27-25-51(3)4/h6-9,12-19,46-47H,10-11,20-27H2,1-5H3,(H,44,55)(H,45,56)"	CN(C)CCN1C2=C3C(=C(C=C2)C(=O)NCCCN(C)CCCNC(=O)C4=C5C6=C(C=C4)N(N=C6C7=CC=CC=C7N5)CCN(C)C)NC8=CC=CC=C8C3=N1	CSPZQMQCDUYWIE-UHFFFAOYSA-N
DG68703	NSC710552	135426710	"14-[2-(dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide; NSC710552; CHEMBL189214; NSC-710552; NCI60_038913"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710552	.	.	.	.	814	C45H55N11O4	146	1320	4.7	60	4	11	18	"InChI=1S/C45H55N11O4/c1-52(2)22-24-55-36-16-12-30(40-38(36)42(50-55)32-26-28(59-6)10-14-34(32)48-40)44(57)46-18-8-20-54(5)21-9-19-47-45(58)31-13-17-37-39-41(31)49-35-15-11-29(60-7)27-33(35)43(39)51-56(37)25-23-53(3)4/h10-17,26-27,48-49H,8-9,18-25H2,1-7H3,(H,46,57)(H,47,58)"	CN(C)CCN1C2=C3C(=C(C=C2)C(=O)NCCCN(C)CCCNC(=O)C4=C5C6=C(C=C4)N(N=C6C7=C(N5)C=CC(=C7)OC)CCN(C)C)NC8=C(C3=N1)C=C(C=C8)OC	SMROYVOGMSQMJK-UHFFFAOYSA-N
DG68704	"3-[(1H-Indol-3-ylethyl)amino]-2-(3-isopropoxyphenyl)-2H-pyrido[4,2,4,-thiadiazine 1,1-dioxide"	135426715	"NSC710895; CHEMBL1973455; NSC-710895; NCI60_039004; 3-[(1H-Indol-3-ylethyl)amino]-2-(3-isopropoxyphenyl)-2H-pyrido[4,2,4,-thiadiazine 1,1-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710895	.	.	.	.	475.6	C25H25N5O3S	108	829	3.8	34	2	5	6	"InChI=1S/C25H25N5O3S/c1-17(2)33-20-7-5-6-19(14-20)30-25(29-23-11-12-26-16-24(23)34(30,31)32)27-13-10-18-15-28-22-9-4-3-8-21(18)22/h3-9,11-12,14-17,28H,10,13H2,1-2H3,(H,27,29)"	CC(C)OC1=CC=CC(=C1)N2C(=NCCC3=CNC4=CC=CC=C43)NC5=C(S2(=O)=O)C=NC=C5	KCSXOVGRDAPTKF-UHFFFAOYSA-N
DG68705	"3-[(1-Methoxyphen-4-ylmethyl)amino]-2-phenyl-2H-pyrido[4,2,4-thiadiazine 1,1-dioxide"	135426716	"NSC710898; CHEMBL1996026; NSC-710898; NCI60_039006; 3-[(1-Methoxyphen-4-ylmethyl)amino]-2-phenyl-2H-pyrido[4,2,4-thiadiazine 1,1-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710898	.	.	.	.	394.4	C20H18N4O3S	92.3	649	2.5	28	1	5	4	"InChI=1S/C20H18N4O3S/c1-27-17-9-7-15(8-10-17)13-22-20-23-18-11-12-21-14-19(18)28(25,26)24(20)16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,22,23)"	COC1=CC=C(C=C1)CN=C2NC3=C(C=NC=C3)S(=O)(=O)N2C4=CC=CC=C4	ZHJJILKMQWVXSV-UHFFFAOYSA-N
DG68706	"N-[1,3-e]-1,2,4-thiadiazin-3-yl]-l-tryptophan methyl ester"	135426717	"NSC710902; CHEMBL1995353; NSC-710902; NCI60_039008; N-[1,3-e]-1,2,4-thiadiazin-3-yl]-l-tryptophan methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710902	.	.	.	.	533.6	C27H27N5O5S	134	969	3.9	38	2	7	8	"InChI=1S/C27H27N5O5S/c1-17(2)37-20-8-6-7-19(14-20)32-27(30-23-11-12-28-16-25(23)38(32,34)35)31-24(26(33)36-3)13-18-15-29-22-10-5-4-9-21(18)22/h4-12,14-17,24,29H,13H2,1-3H3,(H,30,31)"	CC(C)OC1=CC=CC(=C1)N2C(=NC(CC3=CNC4=CC=CC=C43)C(=O)OC)NC5=C(S2(=O)=O)C=NC=C5	XAWCDKPXEJBXGH-UHFFFAOYSA-N
DG68707	"N-(1,3-e]-1,2,4-thiadiazin-3-yl)-l-trytophan methyl ester"	135426718	"NSC710903; CHEMBL1982933; NSC-710903; NCI60_039009; N-(1,3-e]-1,2,4-thiadiazin-3-yl)-l-trytophan methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710903	.	.	.	.	475.5	C24H21N5O4S	125	869	3.1	34	2	6	6	"InChI=1S/C24H21N5O4S/c1-33-23(30)21(13-16-14-26-19-10-6-5-9-18(16)19)28-24-27-20-11-12-25-15-22(20)34(31,32)29(24)17-7-3-2-4-8-17/h2-12,14-15,21,26H,13H2,1H3,(H,27,28)"	COC(=O)C(CC1=CNC2=CC=CC=C21)N=C3NC4=C(C=NC=C4)S(=O)(=O)N3C5=CC=CC=C5	WEEOAGACJZAGOW-UHFFFAOYSA-N
DG68708	"3-(1,3-benzothiazol-2-yl)-7-hydroxy-2H-chromen-2-one"	135426721	"58851-99-3; 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2H-chromen-2-one; CHEMBL437770; 3-(benzo[d]thiazol-2-yl)-7-hydroxy-2H-chromen-2-one; 3-(2-BENZOTHIAZOLYL)UMBELLIFERONE  FOR; 3-(1,3-BENZOTHIAZOL-2-YL)-7-HYDROXYCHROMEN-2-ONE; 3-(2-Benzothiazolyl)umbelliferone; NSC711198; ChemDiv3_012345; Oprea1_225697; SCHEMBL592311; DTXSID90419864; HMS1508B03; HMS3429K07; ZINC146104; 3-(2-Benzothiazolyl)-umbelliferone; BDBM50302389; MFCD00037411; STK830410; AKOS000276122; MCULE-4662999195; NSC-711198; NCGC00310852-01; NCI60_039100; 3-(Benzothiazole-2-yl)-7-hydroxycoumarin; D85615; AB01306632-01; SR-01000424247; J-100034; SR-01000424247-1; BRD-K67053446-001-01-4; F0225-0023; 3-(2,3-Dihydrobenzothiazole-2-ylidene)-2,3-dihydro-7H-1-benzopyran-2,7-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711198	.	.	.	.	295.3	C16H9NO3S	87.7	466	3.7	21	1	5	1	"InChI=1S/C16H9NO3S/c18-10-6-5-9-7-11(16(19)20-13(9)8-10)15-17-12-3-1-2-4-14(12)21-15/h1-8,18H"	C1=CC=C2C(=C1)N=C(S2)C3=CC4=C(C=C(C=C4)O)OC3=O	CYONGLVNBSZCQH-UHFFFAOYSA-N
DG68709	"2,2,2-trifluoro-1-[4-(trifluoromethyl)spiro[1H-benzo[h]quinazoline-2,1'-cyclohexane]-6-yl]ethanone"	135426727	NSC711692; CHEMBL1999141; NSC-711692; NCI60_039164	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711692	.	.	.	.	414.3	C20H16F6N2O	41.5	679	6.2	29	1	9	1	"InChI=1S/C20H16F6N2O/c21-19(22,23)16-14-10-13(17(29)20(24,25)26)11-6-2-3-7-12(11)15(14)27-18(28-16)8-4-1-5-9-18/h2-3,6-7,10,27H,1,4-5,8-9H2"	C1CCC2(CC1)NC3=C(C=C(C4=CC=CC=C43)C(=O)C(F)(F)F)C(=N2)C(F)(F)F	BNEIHCFIMLEFNN-UHFFFAOYSA-N
DG68710	"5-(Trifluoromethyl)-7-(trifluoroacetyl)-2,3-dihydro-1H-naphtho[1,2-e][1,4]diazepine"	135426734	"NSC713215; CHEMBL1976390; NSC-713215; NCI60_039467; 5-(Trifluoromethyl)-7-(trifluoroacetyl)-2,3-dihydro-1H-naphtho[1,2-e][1,4]diazepine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713215	.	.	.	.	360.25	C16H10F6N2O	41.5	556	4.5	25	1	9	1	"InChI=1S/C16H10F6N2O/c17-15(18,19)13-11-7-10(14(25)16(20,21)22)8-3-1-2-4-9(8)12(11)23-5-6-24-13/h1-4,7,23H,5-6H2"	C1CN=C(C2=C(N1)C3=CC=CC=C3C(=C2)C(=O)C(F)(F)F)C(F)(F)F	OWVRHSXEAZMHNE-UHFFFAOYSA-N
DG68711	"Ethyl 2-[5-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]acetate"	135426737	NSC713636; CHEMBL1999029; NSC-713636; NCI60_039526	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713636	.	.	.	.	456.4	C21H21FN6O5	129	679	1.5	33	1	9	8	"InChI=1S/C21H21FN6O5/c1-4-32-19-10-18-17(9-14(19)22)27(30)12(3)21(28(18)31)23-13-6-7-16-15(8-13)24-25-26(16)11-20(29)33-5-2/h6-10,23H,4-5,11H2,1-3H3"	CCOC1=C(C=C2C(=C1)[N+](=C(C(=[N+]2[O-])C)NC3=CC4=C(C=C3)N(N=N4)CC(=O)OCC)[O-])F	AXMJPEWXHCVVHP-UHFFFAOYSA-N
DG68712	"N-(1H-indol-3-ylmethyl)-1,1-dioxo-4-phenylpyrido[4,3-e][1,2,4]thiadiazin-3-imine"	135426739	NSC714645; CHEMBL2002833; NSC-714645; NCI60_039703	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714645	.	.	.	.	403.5	C21H17N5O2S	98.8	715	2.7	29	2	4	3	"InChI=1S/C21H17N5O2S/c27-29(28)20-14-22-11-10-19(20)26(16-6-2-1-3-7-16)21(25-29)24-13-15-12-23-18-9-5-4-8-17(15)18/h1-12,14,23H,13H2,(H,24,25)"	C1=CC=C(C=C1)N2C3=C(C=NC=C3)S(=O)(=O)NC2=NCC4=CNC5=CC=CC=C54	SJUALJMYHAXCNY-UHFFFAOYSA-N
DG68713	"6-Phenyl-4,5,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),5,10,12,14-hexaen-3-one"	135426740	NSC715657; CHEMBL1992086; NSC-715657; NCI60_039957	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715657	.	.	.	.	299.3	C19H13N3O	57.2	525	3.5	23	2	2	1	"InChI=1S/C19H13N3O/c23-19-15-14-10-12-8-4-5-9-13(12)17(14)20-18(15)16(21-22-19)11-6-2-1-3-7-11/h1-9,20H,10H2,(H,22,23)"	C1C2=CC=CC=C2C3=C1C4=C(N3)C(=NNC4=O)C5=CC=CC=C5	FAHPAVLLYOBAND-UHFFFAOYSA-N
DG68714	"13,14,17-Triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),14-hexaen-12-one"	135426741	NSC715658; CHEMBL1965367; NSC-715658; NCI60_039958	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715658	.	.	.	.	237.26	C14H11N3O	57.2	395	1.8	18	2	2	0	"InChI=1S/C14H11N3O/c18-14-12-10-6-5-8-3-1-2-4-9(8)13(10)16-11(12)7-15-17-14/h1-4,7,16H,5-6H2,(H,17,18)"	C1CC2=C(C3=CC=CC=C31)NC4=C2C(=O)NN=C4	JKEOCLHOKWSGPZ-UHFFFAOYSA-N
DG68715	"6-Methyl-4,5,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),5,10,12,14-hexaen-3-one"	135426742	NSC715660; CHEMBL1996465; NSC-715660; NCI60_039959	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715660	.	.	.	.	237.26	C14H11N3O	57.2	419	1.8	18	2	2	0	"InChI=1S/C14H11N3O/c1-7-12-11(14(18)17-16-7)10-6-8-4-2-3-5-9(8)13(10)15-12/h2-5,15H,6H2,1H3,(H,17,18)"	CC1=NNC(=O)C2=C1NC3=C2CC4=CC=CC=C43	XLSCKMYDZWHJPC-UHFFFAOYSA-N
DG68716	"3-benzyl-6-iodo-2-[(5-oxo-4,6-dihydro-1H-1,2,4-triazin-3-yl)methylsulfanyl]quinazolin-4-one"	135426744	NSC715746; CHEMBL1993141; NSC-715746; NCI60_040006	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715746	.	.	.	.	505.3	C19H16IN5O2S	112	679	3.3	28	2	6	5	"InChI=1S/C19H16IN5O2S/c20-13-6-7-15-14(8-13)18(27)25(10-12-4-2-1-3-5-12)19(22-15)28-11-16-23-17(26)9-21-24-16/h1-8,21H,9-11H2,(H,23,24,26)"	C1C(=O)NC(=NN1)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4	YZGXSJNQTHPFLH-UHFFFAOYSA-N
DG68717	"6,8-dibromo-3-[4-[(5-hydroxyquinolin-8-yl)diazenyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one"	135426750	NSC716040; CHEMBL2000079; NSC-716040; NCI60_040075	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716040	.	.	.	.	583.3	C23H13Br2N5O2S	122	780	5.9	33	2	6	3	"InChI=1S/C23H13Br2N5O2S/c24-12-10-16-20(17(25)11-12)27-23(33)30(22(16)32)14-5-3-13(4-6-14)28-29-18-7-8-19(31)15-2-1-9-26-21(15)18/h1-11,31H,(H,27,33)"	C1=CC2=C(C=CC(=C2N=C1)N=NC3=CC=C(C=C3)N4C(=O)C5=C(C(=CC(=C5)Br)Br)NC4=S)O	LTXCVRLOURQHFE-UHFFFAOYSA-N
DG68718	"N-[5-[2-(5-benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachlorophenyl]-1,3,4-oxadiazol-2-yl]-4-chlorobenzamide"	135426753	CHEMBL1970631; NSC716137; NSC-716137; NCI60_040113	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716137	.	.	.	.	657.7	C29H14Cl5N5O3	114	970	8.3	42	2	6	6	"InChI=1S/C29H14Cl5N5O3/c30-16-9-6-14(7-10-16)27(41)37-29-39-38-28(42-29)20-19(21(31)23(33)24(34)22(20)32)26-35-17-11-8-15(12-18(17)36-26)25(40)13-4-2-1-3-5-13/h1-12H,(H,35,36)(H,37,39,41)"	C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)NC(=N3)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C5=NN=C(O5)NC(=O)C6=CC=C(C=C6)Cl	XRPABIKIBSKAGP-UHFFFAOYSA-N
DG68719	"methyl 5-hydroxy-2,3,8-trimethyl-4H-pyrrolo[2,3-f]quinoxaline-7-carboxylate"	135426755	NSC716490; CHEMBL1984379; NSC-716490; NCI60_040267	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716490	.	.	.	.	285.3	C15H15N3O3	83.3	761	1.3	21	2	6	2	"InChI=1S/C15H15N3O3/c1-6-7(2)17-14-12-9(5-10(19)13(14)16-6)11(8(3)18-12)15(20)21-4/h5,16,19H,1-4H3"	CC1=C(N=C2C(=C(C=C3C2=NC(=C3C(=O)OC)C)O)N1)C	KEBJFNVUAZOMRY-UHFFFAOYSA-N
DG68720	1-allyl-3-[(Z)-(5-nitro-2-oxo-indolin-3-ylidene)amino]thiourea	135426761	NSC-716765; NSC716765; CHEMBL390341; NCI60_040341; 1-allyl-3-[(Z)-(5-nitro-2-oxo-indolin-3-ylidene)amino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716765	.	.	.	.	305.31	C12H11N5O3S	151	453	2.9	21	3	5	3	"InChI=1S/C12H11N5O3S/c1-2-5-13-12(21)16-15-10-8-6-7(17(19)20)3-4-9(8)14-11(10)18/h2-4,6,14,18H,1,5H2,(H,13,21)"	C=CCNC(=S)N=NC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])O	ATHNMYKARKSIGI-UHFFFAOYSA-N
DG68721	1-allyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea	135426763	NSC716768; CHEMBL1981764; NSC-716768; NCI60_040344; (z)-4-allyl-1-(1-(morpholinomethyl)-5-nitro-2-oxoindolin-3-ylidene)thiosemicarbazide; 1-allyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716768	.	.	.	.	404.4	C17H20N6O4S	152	609	2.6	28	2	7	5	"InChI=1S/C17H20N6O4S/c1-2-5-18-17(28)20-19-15-13-10-12(23(25)26)3-4-14(13)22(16(15)24)11-21-6-8-27-9-7-21/h2-4,10,24H,1,5-9,11H2,(H,18,28)"	C=CCNC(=S)N=NC1=C(N(C2=C1C=C(C=C2)[N+](=O)[O-])CN3CCOCC3)O	GUUSARHCVLKPEY-UHFFFAOYSA-N
DG68722	1-cyclohexyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea	135426764	NSC716769; CHEMBL228788; NSC-716769; NCI60_040345; 1-cyclohexyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716769	.	.	.	.	446.5	C20H26N6O4S	152	665	3.7	31	2	7	4	"InChI=1S/C20H26N6O4S/c27-19-18(22-23-20(31)21-14-4-2-1-3-5-14)16-12-15(26(28)29)6-7-17(16)25(19)13-24-8-10-30-11-9-24/h6-7,12,14,27H,1-5,8-11,13H2,(H,21,31)"	C1CCC(CC1)NC(=S)N=NC2=C(N(C3=C2C=C(C=C3)[N+](=O)[O-])CN4CCOCC4)O	IYAWXWZNWMCOFC-UHFFFAOYSA-N
DG68723	1-(4-chlorophenyl)-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea	135426765	NSC716770; CHEMBL228843; NSC-716770; NCI60_040346; 1-(4-chlorophenyl)-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716770	.	.	.	.	474.9	C20H19ClN6O4S	152	698	4.1	32	2	7	4	"InChI=1S/C20H19ClN6O4S/c21-13-1-3-14(4-2-13)22-20(32)24-23-18-16-11-15(27(29)30)5-6-17(16)26(19(18)28)12-25-7-9-31-10-8-25/h1-6,11,28H,7-10,12H2,(H,22,32)"	C1COCCN1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C2O)N=NC(=S)NC4=CC=C(C=C4)Cl	HSTLQRZKYKNZMD-UHFFFAOYSA-N
DG68724	"6-amino-1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5H-triazolo[4,5-c]pyridin-4-one"	135426767	NSC717101; CHEMBL1991806; NSC-717101; NCI60_040478	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717101	.	.	.	.	553.6	C31H31N5O5	123	873	2.9	41	2	8	11	"InChI=1S/C31H31N5O5/c32-26-16-24-27(30(37)33-26)34-35-36(24)31-29(40-19-23-14-8-3-9-15-23)28(39-18-22-12-6-2-7-13-22)25(41-31)20-38-17-21-10-4-1-5-11-21/h1-16,25,28-29,31H,17-20H2,(H3,32,33,37)"	C1=CC=C(C=C1)COCC2C(C(C(O2)N3C4=C(C(=O)NC(=C4)N)N=N3)OCC5=CC=CC=C5)OCC6=CC=CC=C6	UMGLHFOTFBHCSA-UHFFFAOYSA-N
DG68725	"15-Phenyl-13,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),14-heptaen-12-one"	135426789	NSC718581; CHEMBL2006755; NSC-718581; NCI60_040834	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718581	.	.	.	.	311.3	C20H13N3O	57.2	539	4.4	24	2	2	1	"InChI=1S/C20H13N3O/c24-20-16-15-11-10-12-6-4-5-9-14(12)18(15)21-19(16)17(22-23-20)13-7-2-1-3-8-13/h1-11,21H,(H,23,24)"	C1=CC=C(C=C1)C2=NNC(=O)C3=C2NC4=C3C=CC5=CC=CC=C54	JKVAPEYRKWFZCZ-UHFFFAOYSA-N
DG68726	"14,15,18-Triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,12(17),15-hexaen-13-one"	135426790	NSC718582; CHEMBL1988444; NSC-718582; NCI60_040835	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718582	.	.	.	.	251.28	C15H13N3O	57.2	408	2.3	19	2	2	0	"InChI=1S/C15H13N3O/c19-15-13-11-7-3-5-9-4-1-2-6-10(9)14(11)17-12(13)8-16-18-15/h1-2,4,6,8,17H,3,5,7H2,(H,18,19)"	C1CC2=CC=CC=C2C3=C(C1)C4=C(N3)C=NNC4=O	NENJZDBYRHOJAV-UHFFFAOYSA-N
DG68727	"16-Phenyl-14,15,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,12(17),15-hexaen-13-one"	135426791	NSC718583; CHEMBL1987205; NSC-718583; NCI60_040836	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718583	.	.	.	.	327.4	C21H17N3O	57.2	553	4.3	25	2	2	1	"InChI=1S/C21H17N3O/c25-21-17-16-12-6-10-13-7-4-5-11-15(13)19(16)22-20(17)18(23-24-21)14-8-2-1-3-9-14/h1-5,7-9,11,22H,6,10,12H2,(H,24,25)"	C1CC2=CC=CC=C2C3=C(C1)C4=C(N3)C(=NNC4=O)C5=CC=CC=C5	GBOFHHAWWBNKQB-UHFFFAOYSA-N
DG68728	1-methyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea	135426794	NSC718640; CHEMBL376127; NSC-718640; NCI60_040850; 1-methyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718640	.	.	.	.	378.4	C15H18N6O4S	152	553	1.9	26	2	7	3	"InChI=1S/C15H18N6O4S/c1-16-15(26)18-17-13-11-8-10(21(23)24)2-3-12(11)20(14(13)22)9-19-4-6-25-7-5-19/h2-3,8,22H,4-7,9H2,1H3,(H,16,26)"	CNC(=S)N=NC1=C(N(C2=C1C=C(C=C2)[N+](=O)[O-])CN3CCOCC3)O	BECVKWUOGXBCEZ-UHFFFAOYSA-N
DG68729	"Diethyl 2-[5-[(7-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-2-yl]pentanedioate"	135426796	NSC718662; CHEMBL1998280; NSC-718662; NCI60_040868	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718662	.	.	.	.	528.9	C24H25ClN6O6	146	797	2.8	37	1	9	11	"InChI=1S/C24H25ClN6O6/c1-4-36-22(32)11-10-20(24(33)37-5-2)31-27-17-8-7-16(13-18(17)28-31)26-23-14(3)29(34)19-9-6-15(25)12-21(19)30(23)35/h6-9,12-13,20,26H,4-5,10-11H2,1-3H3"	CCOC(=O)CCC(C(=O)OCC)N1N=C2C=CC(=CC2=N1)NC3=C([N+](=C4C=CC(=CC4=[N+]3[O-])Cl)[O-])C	CGIDNMPQGASTPI-UHFFFAOYSA-N
DG68730	"2,4-diamino-5-(1,1-diethoxy-4-phenylbutan-2-yl)-1H-pyrimidin-6-one"	135426806	NSC719346; CHEMBL1987870; NSC-719346; NCI60_040985	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719346	.	.	.	.	346.4	C18H26N4O3	112	507	1.2	25	3	5	9	"InChI=1S/C18H26N4O3/c1-3-24-17(25-4-2)13(11-10-12-8-6-5-7-9-12)14-15(19)21-18(20)22-16(14)23/h5-9,13,17H,3-4,10-11H2,1-2H3,(H5,19,20,21,22,23)"	CCOC(C(CCC1=CC=CC=C1)C2=C(N=C(NC2=O)N)N)OCC	OSFZSFIIQRYTGJ-UHFFFAOYSA-N
DG68731	"ethyl N-(6,7-dichloro-3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)carbamate"	135426809	NSC719370; CHEMBL1994006; NSC-719370; NCI60_040992	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719370	.	.	.	.	343.12	C12H8Cl2N4O4	113	473	1.4	22	1	5	3	"InChI=1S/C12H8Cl2N4O4/c1-2-22-12(19)16-11-10(5-15)17(20)8-3-6(13)7(14)4-9(8)18(11)21/h3-4H,2H2,1H3,(H,16,19)"	CCOC(=O)NC1=[N+](C2=CC(=C(C=C2[N+](=C1C#N)[O-])Cl)Cl)[O-]	DASAVNHJBPMDCD-UHFFFAOYSA-N
DG68732	"7-Chloro-3-(4-fluoroanilino)-1,4-dioxidoquinoxaline-1,4-diium-2-carbonitrile"	135426810	NSC719372; CHEMBL2002954; NSC-719372; NCI60_040993	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719372	.	.	.	.	330.7	C15H8ClFN4O2	86.7	468	2.4	23	1	5	2	"InChI=1S/C15H8ClFN4O2/c16-9-1-6-12-13(7-9)20(22)14(8-18)15(21(12)23)19-11-4-2-10(17)3-5-11/h1-7,19H"	C1=CC(=CC=C1NC2=[N+](C3=C(C=C(C=C3)Cl)[N+](=C2C#N)[O-])[O-])F	JQHXIQHHIYWEST-UHFFFAOYSA-N
DG68733	"5-Hydroxy-2,3-dimethyl-4,7,8,9-tetrahydropyrazino[2,3-a]carbazol-10-one"	135426814	NSC720173; CHEMBL1970384; NSC-720173; NCI60_041124	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720173	.	.	.	.	281.31	C16H15N3O2	74	788	1.5	21	2	5	0	"InChI=1S/C16H15N3O2/c1-7-8(2)18-16-14-10(6-12(21)15(16)17-7)9-4-3-5-11(20)13(9)19-14/h6,17,21H,3-5H2,1-2H3"	CC1=C(N=C2C(=C(C=C3C2=NC4=C3CCCC4=O)O)N1)C	FWBQDPQDHPFZNK-UHFFFAOYSA-N
DG68734	"11-benzyl-5-hydroxy-2,3-dimethyl-8,9-dihydro-7H-pyrazino[2,3-a]carbazol-10-one"	135426815	NSC720174; CHEMBL2006411; NSC-720174; NCI60_041125	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720174	.	.	.	.	371.4	C23H21N3O2	68	592	3.8	28	1	4	2	"InChI=1S/C23H21N3O2/c1-13-14(2)25-21-20(24-13)19(28)11-17-16-9-6-10-18(27)22(16)26(23(17)21)12-15-7-4-3-5-8-15/h3-5,7-8,11,28H,6,9-10,12H2,1-2H3"	CC1=NC2=C(C=C3C4=C(C(=O)CCC4)N(C3=C2N=C1C)CC5=CC=CC=C5)O	HRHGPDZSDMQFSX-UHFFFAOYSA-N
DG68735	1H-benzimidazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene	135426818	NCI60_041138; CHEMBL2001649; NSC720191; NSC-720191	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720191	.	.	.	.	267.29	C14H13N5O	76.9	482	3.1	20	2	5	2	"InChI=1S/C14H13N5O/c1-10(13-8-4-5-9-19(13)20)17-18-14-15-11-6-2-3-7-12(11)16-14/h2-9,20H,1H3,(H,15,16)/b13-10+,18-17 "	C/C(=C\\1/C=CC=CN1O)/N=NC2=NC3=CC=CC=C3N2	SSESEINREBIOOT-BPXADIFKSA-N
DG68736	"2-[3-[(Z)-2-hydroxy-2-phenylethenyl]pyrido[2,3-b]pyrazin-2-yl]-1-phenylethanone"	135426820	NSC720431; CHEMBL1992167; AKOS024377739; MCULE-1184561297; NSC-720431; NCI60_041253	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720431	.	.	.	.	367.4	C23H17N3O2	76	552	3.5	28	1	5	5	"InChI=1S/C23H17N3O2/c27-21(16-8-3-1-4-9-16)14-19-20(15-22(28)17-10-5-2-6-11-17)26-23-18(25-19)12-7-13-24-23/h1-13,15,28H,14H2/b22-15-"	C1=CC=C(C=C1)C(=O)CC2=NC3=C(N=CC=C3)N=C2/C=C(/C4=CC=CC=C4)\\O	KZLNVGUPLUTQFT-JCMHNJIXSA-N
DG68737	"3-[(Z)-2-(2,4-dimethylphenyl)-2-hydroxyethenyl]-1,4-benzothiazin-2-one"	135426822	NSC720442; CHEMBL2007427; AKOS024373159; MCULE-4900810799; NSC-720442; NCI60_041259	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720442	.	.	.	.	309.4	C18H15NO2S	75	499	4.1	22	1	4	2	"InChI=1S/C18H15NO2S/c1-11-7-8-13(12(2)9-11)16(20)10-15-18(21)22-17-6-4-3-5-14(17)19-15/h3-10,20H,1-2H3/b16-10-"	CC1=CC(=C(C=C1)/C(=C/C2=NC3=CC=CC=C3SC2=O)/O)C	WIDVVBMVSCUTAV-YBEGLDIGSA-N
DG68738	(2Z)-2-(3-hydroxyquinoxalin-2(1H)-ylidene)-1-(4-methylphenyl)ethanone	135426824	"NSC720447; CHEMBL1967080; STK762189; STL148024; AKOS000567264; AKOS005748283; MCULE-2267989760; MCULE-3006878352; NSC-720447; NCI60_041262; AB00100552-01; SR-01000528272; SR-01000528272-1; (2Z)-2-(3-hydroxyquinoxalin-2(1H)-ylidene)-1-(4-methylphenyl)ethanone; (Z)-3-(2-oxo-2-(p-tolyl)ethylidene)-3,4-dihydroquinoxalin-2(1H)-one; 3-[(Z)-2-(4-methylphenyl)-2-oxoethylidene]-1,4-dihydro-2-quinoxalinone; 3-[2-(4-methylphenyl)-2-oxoethylidene]-3,4-dihydro-2(1H)-quinoxalinone; (3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]-3,4-dihydroquinoxalin-2(1H)-one; (z)-3-[2-(4-methylphenyl)-2-oxoethylidene]-3,4-dihydroquinoxalin-2(1h)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720447	.	.	.	.	278.3	C17H14N2O2	61.7	461	2.6	21	2	3	2	"InChI=1S/C17H14N2O2/c1-11-6-8-12(9-7-11)16(20)10-15-17(21)19-14-5-3-2-4-13(14)18-15/h2-10,20H,1H3,(H,19,21)/b16-10-"	CC1=CC=C(C=C1)/C(=C/C2=NC3=CC=CC=C3NC2=O)/O	DQJJZVMFWIZHGZ-YBEGLDIGSA-N
DG68739	"(Z)-2-[3-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]pyrazin-2-yl]-1-(4-methoxyphenyl)ethenol"	135426825	"NSC720452; AKOS024377745; MCULE-9100161736; NSC-720452; NCI60_041266; (2z,3z)-bis(p-methoxybenzoylmethylene)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720452	.	.	.	.	427.5	C25H21N3O4	97.6	654	3.9	32	2	7	6	"InChI=1S/C25H21N3O4/c1-31-18-9-5-16(6-10-18)23(29)14-21-22(28-25-20(27-21)4-3-13-26-25)15-24(30)17-7-11-19(32-2)12-8-17/h3-15,29-30H,1-2H3/b23-14-,24-15-"	COC1=CC=C(C=C1)/C(=C/C2=NC3=C(N=CC=C3)N=C2/C=C(/C4=CC=C(C=C4)OC)\\O)/O	AEPNXXNVJNDZMG-YBOYZMIGSA-N
DG68740	NSC75782	135426827	"3-[(3R,12E,21S,22S)-16-ethenyl-11-ethyl-12-(hydroxymethylidene)-3-methoxycarbonyl-17,21,26-trimethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaen-22-yl]propanoic acid; Pheophorbide b; SCHEMBL1304733; NSC75782; NSC-75782; NCI60_041662"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	75782	.	.	.	.	606.7	C35H34N4O6	150	1870	2	45	3	10	7	"InChI=1S/C35H34N4O6/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22/h7,11-14,16,20,31,38,40H,1,8-10H2,2-6H3,(H,41,42)/b21-14+,23-11 ,24-12 ,25-13 ,32-30 /t16-,20-,31+/m0/s1"	CCC\\1=C2C=C3C(=C4C(=O)[C@@H](C(=C5[C@H]([C@@H](C(=CC6=NC(=CC(=N2)/C1=C/O)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)C(=O)OC)C	KZTYPOGXRFTJBN-MMLDQJOMSA-N
DG68741	Lomofungin	135426834	"LOMOFUNGIN; 26786-84-5; MLS000766240; Lomondomycin; MLS002701957; NSC106995; NSC-106995; NSC-156939; SMR000528852; methyl 6-formyl-4,7,9-trihydroxyphenazine-1-carboxylate; U-24,792; Lomofungin (USAN); Methyl 6-formyl-4,9-trihydroxy-1-phenazinecarboxylate; 1-Phenazinecarboxylic acid,7,9-trihydroxy-, methyl ester; Glycopeptide, 4; methyl 6-formyl-4,7-dihydroxy-9-oxo-5H-phenazine-1-carboxylate; U-24792; NCIMech_000010; SCHEMBL393820; CHEMBL1505471; SCHEMBL14973446; BDBM43865; cid_5351222; DTXSID90949590; HMS2089A15; CCG-35333; NSC156939; SMP2_000090; NCGC00160392-01; NCGC00160392-02; NCGC00160392-03; A245; NCI60_000168; D04767; AB00642035-09; A937080; SR-01000762031; SR-01000762031-2; 6-formyl-4,7-dihydroxy-9-keto-5H-phenazine-1-carboxylic acid methyl ester; 6-formyl-4,7-dihydroxy-9-oxo-5H-phenazine-1-carboxylic acid methyl ester; methyl (6Z)-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxylate; methyl 6-methanoyl-4,7-bis(oxidanyl)-9-oxidanylidene-5H-phenazine-1-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106995	.	.	.	.	314.25	C15H10N2O6	125	851	-0.2	23	3	8	2	"InChI=1S/C15H10N2O6/c1-23-15(22)6-2-3-8(19)13-11(6)16-14-10(21)4-9(20)7(5-18)12(14)17-13/h2-5,16,18,20H,1H3/b7-5+"	COC(=O)C1=C2C(=NC\\3=C(N2)C(=O)C=C(/C3=C\\O)O)C(=O)C=C1	YDXARWIJAYOANV-FNORWQNLSA-N
DG68742	"3-(2-Hydrazono-2-phenylethylidene)-1,3-dihydro-2H-indol-2-one"	135426837	"NSC175274; 844-63-3; 3-(2-Hydrazono-2-phenylethylidene)-1,3-dihydro-2H-indol-2-one; NSC 175274; NCIMech_000125; CHEMBL1965102; CCG-35214; NSC-175274; NCI60_001433; 3-(2-Hydrazono-2-phenylethylidene)indolin-2-one; (3Z)-3-[(2Z)-2-hydrazinylidene-2-phenyl-ethylidene]indolin-2-one; 2H-Indol-2-one, 3-(2-hydrazono-2-phenylethylidene)-1,3-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175274	.	.	.	.	263.29	C16H13N3O	72.2	376	4.7	20	3	3	3	"InChI=1S/C16H13N3O/c17-19-15(11-6-2-1-3-7-11)10-13-12-8-4-5-9-14(12)18-16(13)20/h1-10,17-18,20H/b15-10-,19-17 "	C1=CC=C(C=C1)/C(=C/C2=C(NC3=CC=CC=C32)O)/N=N	UXAZVAVJTJTJHF-QFULKBQASA-N
DG68743	methyl N-[N'-(2-formamido-4-phenoxyphenyl)-N-methoxycarbonylcarbamimidoyl]carbamate	135426845	NSC630032; NSC-630032; NCIMech_000490; CHEMBL1968489; SCHEMBL11575254; CCG-35606; ZINC16953430; NCI60_009747	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630032	.	.	.	.	386.4	C18H18N4O6	127	544	3.4	28	3	7	8	"InChI=1S/C18H18N4O6/c1-26-17(24)21-16(22-18(25)27-2)20-14-9-8-13(10-15(14)19-11-23)28-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,23)(H2,20,21,22,24,25)"	COC(=O)NC(=NC1=C(C=C(C=C1)OC2=CC=CC=C2)NC=O)NC(=O)OC	UGPNCGUBNMKORD-UHFFFAOYSA-N
DG68744	"3-(2-N,2,4-benzotriazine 1,4-dioxide"	135426847	"NSC628917; NCIMech_000612; SCHEMBL5455391; CHEMBL1967152; NSC-628917; NCI60_009362; NCI60_009368; NCI60_009369; 3-(2-N,2,4- benzotriazine 1,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628917	.	.	.	.	322.32	C13H18N6O4	125	391	-1	23	1	7	6	"InChI=1S/C13H18N6O4/c1-3-16(4-2)8-7-14-13-15-18(21)12-9-10(19(22)23)5-6-11(12)17(13)20/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15)"	CCN(CC)CCNC1=[N+](C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=N1)[O-])[O-]	NYEUAKOHUDTNHD-UHFFFAOYSA-N
DG68745	"3-(1-Anilinoethylidene)-5-benzylpyrrolidine-2,4-dione"	135427136	"tn-16; 33016-12-5; TN 16; 3-(1-Anilinoethylidene)-5-benzylpyrrolidine-2,4-dione; NSC 239274; MLS002703542; (3Z)-3-(1-anilinoethylidene)-5-benzylpyrrolidine-2,4-dione; CID 5354005; SMR001570259; SCHEMBL6739845; SCHEMBL6739849; CHEMBL1736008; SCHEMBL13486640; BDBM97332; cid_5354005; 2,4-Pyrrolidinedione, 3-(1-anilinoethylidene)-5-benzyl-; 3-[1-(Phenylamino)ethylidene]-5-(phenylmethyl)-2,4-pyrrolidinedione; MFCD02684017; NSC100445; NSC239274; AKOS024341643; MCULE-3365460951; NSC-100445; NSC-239274; SMP2_000171; 2, 3-(1-anilinoethylidene)-5-benzyl-; TN-16, >=98% (HPLC); HY-119357; CS-0067596; J-018977; 2, 3-[1-(phenylamino)ethylidene]-5-(phenylmethyl)-; (3Z)-3-(1-Anilinoethylidene)-5-benzyl-2,4-pyrrolidinedione #; (3Z)-3-(1-anilinoethylidene)-5-benzyl-pyrrolidine-2,4-quinone; (E)-5-benzyl-3-(1-(phenylamino)ethylidene)pyrrolidine-2,4-dione; 2,4-Pyrrolidinedione, 3-(1-anilinoethylidene)-5-benzyl- (8CI); 3-Pyrrolin-2-one, 5-benzyl-4-hydroxy-3-(N-phenylacetimidoyl)-; (3Z)-3-(1-anilinoethylidene)-5-(phenylmethyl)pyrrolidine-2,4-dione; (3Z)-3-(1-phenylazanylethylidene)-5-(phenylmethyl)pyrrolidine-2,4-dione; 2,4-Pyrrolidinedione, 3-(1-(phenylamino)ethylidene)-5-(phenylmethyl)-; 5-benzyl-4-hydroxy-3-(N-phenylethanimidoyl)-1,5-dihydro-2H-pyrrol-2-one; 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino); 2,4-Pyrrolidinedione, 3-(1-(phenylamino)ethylidene)-5-(phenylmethyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	100445	.	.	.	.	306.4	C19H18N2O2	61.7	498	2.7	23	2	3	4	"InChI=1S/C19H18N2O2/c1-13(20-15-10-6-3-7-11-15)17-18(22)16(21-19(17)23)12-14-8-4-2-5-9-14/h2-11,16,22H,12H2,1H3,(H,21,23)"	CC(=NC1=CC=CC=C1)C2=C(C(NC2=O)CC3=CC=CC=C3)O	IHXKJZIDPGITHW-UHFFFAOYSA-N
DG68746	"7-Nitro-1,2,4-benzotriazin-3-amine 1,4-dioxide"	135427573	"NSC623606; 7-nitro-1,2,4-benzotriazin-3-amine 1,4-dioxide; 135104-35-7; CHEMBL50823; SCHEMBL6086660; NSC-623606; NCI60_006995; 7-Nitro-1,4-benzotriazin-3-amine-1,4-dioxide; 7-Nitro-1,2,4-benzotriazin-3-amine-1,4-dioxide; 7-nitro-1,4-dioxido-1,2,4-benzotriazine-1,4-diium-3-amine; 3-Amino-7-(hydroxy(oxido)amino)-1.lambda.~5~,2,4.lambda.~5~-benzotriazine-1,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623606	.	.	.	.	223.15	C7H5N5O4	136	284	-0.1	16	1	6	0	"InChI=1S/C7H5N5O4/c8-7-9-11(14)6-3-4(12(15)16)1-2-5(6)10(7)13/h1-3H,(H2,8,9)"	C1=CC2=C(C=C1[N+](=O)[O-])[N+](=NC(=[N+]2[O-])N)[O-]	OJMWWLBHDZZSMF-UHFFFAOYSA-N
DG68747	"4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinesulfonamide"	135427646	"NSC673103; CHEMBL1991224; 4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinesulfonamide; NSC-673103; NCI60_025882; 4-(4-hydroxy-2,6-dimethyl-pyrimidin-5-yl)piperazine-1-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673103	.	.	.	.	287.34	C10H17N5O3S	117	552	-1.6	19	2	7	2	"InChI=1S/C10H17N5O3S/c1-7-9(10(16)13-8(2)12-7)14-3-5-15(6-4-14)19(11,17)18/h3-6H2,1-2H3,(H2,11,17,18)(H,12,13,16)"	CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)S(=O)(=O)N	QBHYVAWKFRUONU-UHFFFAOYSA-N
DG68748	4-(2-(8-Hydroxy-5-methyl-7-quinolyl)vinyl)-1-methyl quinolinium	135429830	"UNII-M3RBG160P3; M3RBG160P3; NSC86373; 10277-40-4; CHEMBL2009880; 4-(2-(8-Hydroxy-5-methyl-7-quinolinyl)ethenyl)-1-methylquinolinium; 4-(2-(8-Hydroxy-5-methyl-7-quinolyl)vinyl)-1-methyl quinolinium; 4-(2-(8-Hydroxy-5-methyl-7-quinolyl)vinyl)-1-methyl quinolinium cation; 5-Methyl-7-(2-(1-methyl-1.lambda.~5~-quinolin-4-yl)vinyl)-8-quinolinol; 5-methyl-7-[(E)-2-(1-methylquinolin-1-ium-4-yl)vinyl]quinolin-8-ol; Quinolinium, 4-(2-(8-hydroxy-5-methyl-7-quinolinyl)ethenyl)-1-methyl-; Quinolinium, {4-[2-(8-hydroxy-5-methyl-7-quinolyl)vinyl]-1-methyl-} iodide; 10250-74-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	86373	.	.	.	.	327.4	C22H19N2O+	37	479	4.9	25	1	2	2	"InChI=1S/C22H18N2O/c1-15-14-17(22(25)21-18(15)7-5-12-23-21)10-9-16-11-13-24(2)20-8-4-3-6-19(16)20/h3-14H,1-2H3/p+1"	CC1=CC(=C(C2=C1C=CC=N2)O)/C=C/C3=CC=[N+](C4=CC=CC=C34)C	LUNLWEDILJFNBX-UHFFFAOYSA-O
DG68749	"Pyridine-2-carboxaldehyde, 3-hydroxy-, thiosemicarbazone"	135429832	"NSC95678; 3-HP; 3814-79-7; Picolinaldehyde, 3-hydroxy-, thiosemicarbazone; Pyridine-2-carboxaldehyde, 3-hydroxy-, thiosemicarbazone; Hydrazinecarbothioamide, 2-[(3-hydroxy-2-pyridinyl)methylene]-; 3-Hydroxy-2-pyridinecarbaldehyde thiosemicarbazone; CHEMBL123303; SCHEMBL6676547; SCHEMBL16225303; SCHEMBL16225304; CCG-35338; NSC-95678; NSC162698; ZINC56700983; AKOS006277919; NSC-162698; [(E)-(3-hydroxy-2-pyridyl)methyleneamino]thiourea; Hydrazinecarbothioamide, {2-[(3-hydroxy-2-pyridinyl)methylene]-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95678	.	.	.	.	196.23	C7H8N4OS	116	209	0.1	13	3	4	2	"InChI=1S/C7H8N4OS/c8-7(13)11-10-4-5-6(12)2-1-3-9-5/h1-4,12H,(H3,8,11,13)/b10-4+"	C1=CC(=C(N=C1)/C=N/NC(=S)N)O	ISFBDLBZPVCEKD-ONNFQVAWSA-N
DG68750	"2-Ethyl-3-methylquinoxaline-5,8-diol"	135429854	"NSC128832; 500562-90-3; 2-Ethyl-3-methylquinoxaline-5,8-diol; 5,8-quinoxalinediol,2-ethyl-3-methyl-; CHEMBL1968098; ZINC5599550; 2-Ethyl-3-methyl-5,8-quinoxalinediol; NSC-128832; 2-ethyl-3-methyl-quinoxaline-5,8-diol; NCI60_000653"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128832	.	.	.	.	204.22	C11H12N2O2	66.2	225	1.7	15	2	4	1	"InChI=1S/C11H12N2O2/c1-3-7-6(2)12-10-8(14)4-5-9(15)11(10)13-7/h4-5,14-15H,3H2,1-2H3"	CCC1=NC2=C(C=CC(=C2N=C1C)O)O	FLWRSLKVPNXQCG-UHFFFAOYSA-N
DG68751	19-Formylgeldanamycin N-piperidinoimine	135429876	"65764-44-5; 19-Formylgeldanamycin N-piperidinoimine; 13-Hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-21-((1-piperidinylimino)methyl)-2-azabicyclo(16.3.1)docosa-1(21),4,6,10,18-pentaen-9-yl carbamate; NSC255111; 13-Hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-21-((1-piperidinylimino)methyl)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate; NSC 255111; 19-Formylgeldanamycin-N', N'-pentamethylenehydrazone; [(8Z,12Z,14Z)-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-19-[(E)-1-piperidyliminomethyl]-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	255111	.	.	.	.	670.8	C35H50N4O9	179	1400	3.2	48	3	11	7	"InChI=1S/C35H50N4O9/c1-20-16-24-30(41)28(25(31(42)33(24)47-7)19-37-39-14-9-8-10-15-39)38-34(43)21(2)12-11-13-26(45-5)32(48-35(36)44)23(4)18-22(3)29(40)27(17-20)46-6/h11-13,18-20,22,26-27,29,32,40H,8-10,14-17H2,1-7H3,(H2,36,44)(H,38,43)/b13-11-,21-12-,23-18-,37-19+"	CC1CC(C(C(/C=C(\\C(C(/C=C\\C=C(/C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)/C=N/N3CCCCC3)\\C)OC)OC(=O)N)/C)C)O)OC	KPFCMQVZSYJBFE-WHCWWARVSA-N
DG68752	"1,3-bis[(E)-(2,3-dihydroxyphenyl)methyleneamino]urea"	135429886	"NSC294126; CHEMBL1990173; NSC-294126; Carbonic dihydrazide,3-dihydroxyphenyl)methylene]-; 1,3-bis[(E)-(2,3-dihydroxyphenyl)methyleneamino]urea; N'',N'''-Bis(2,3-dihydroxybenzylidene)carbonohydrazide; Carbonic dihydrazide, {bis[(2,3-dihydroxyphenyl)methylene]-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294126	.	.	.	.	330.3	C15H14N4O5	147	433	1.2	24	6	7	4	"InChI=1S/C15H14N4O5/c20-11-5-1-3-9(13(11)22)7-16-18-15(24)19-17-8-10-4-2-6-12(21)14(10)23/h1-8,20-23H,(H2,18,19,24)/b16-7+,17-8+"	C1=CC(=C(C(=C1)O)O)/C=N/NC(=O)N/N=C/C2=C(C(=CC=C2)O)O	YFXPZEDNDVXKBH-GDWCLCACSA-N
DG68753	N-Cyano-N'-methacryloylguanidine	135429904	"N-Cyano-N'-methacryloylguanidine; 7046-95-9; NSC372155; UNII-9J1Z45QOQ5; 9J1Z45QOQ5; N-cyano-N'-methacryloyl-guanidine; NSC 372155; 1-Methacryloyl-2-cyanoguanidine; CHEMBL1986858; DTXSID20220723; ZINC1588526; NSC-372155; NCI60_003449; N-(N-cyanocarbamimidoyl)-2-methyl-prop-2-enamide; 2-Propenamide, N-[(cyanoamino)iminomethyl]-2-methyl-; 2-Propenamide, {N-[(cyanoamino)iminomethyl]-2-methyl-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372155	.	.	.	.	152.15	C6H8N4O	91.3	257	0.6	11	2	3	2	"InChI=1S/C6H8N4O/c1-4(2)5(11)10-6(8)9-3-7/h1H2,2H3,(H3,8,9,10,11)"	CC(=C)C(=O)NC(=NC#N)N	OTCJOQNMTFSYNR-UHFFFAOYSA-N
DG68754	Methyl 4-hydroxy-2-quinazolinylcarbamate	135429915	"NSC601348; Methyl 4-hydroxy-2-quinazolinylcarbamate; CHEMBL1970388; ZINC8652459; NSC-601348; NCI60_004520; methyl N-(4-hydroxyquinazolin-2-yl)carbamate; N-[(1,4-Dihydro-4-oxoquinazolin)-2-yl]carbamic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601348	.	.	.	.	219.2	C10H9N3O3	79.8	340	0.7	16	2	4	2	"InChI=1S/C10H9N3O3/c1-16-10(15)13-9-11-7-5-3-2-4-6(7)8(14)12-9/h2-5H,1H3,(H2,11,12,13,14,15)"	COC(=O)NC1=NC2=CC=CC=C2C(=O)N1	GJYUSVQLZUWFLI-UHFFFAOYSA-N
DG68755	"[3,4-Dibenzoyloxy-5-(3-cyano-4-hydroxy-pyrazolo[3,4-d]pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate"	135429918	"NSC605471; CHEMBL1975705; NSC-605471; NCI60_004637; [3,4-dibenzoyloxy-5-(3-cyano-4-hydroxy-pyrazolo[3,4-d]pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate; 1H-Pyrazolo[3,4-d]pyrimidine-3-carbonitrile, 4-hydroxy-1-(2,3,5-tri-O-benzoylpentofuranosyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	605471	.	.	.	.	605.6	C32H23N5O8	171	1190	3.9	45	1	11	11	"InChI=1S/C32H23N5O8/c33-16-22-24-27(34-18-35-28(24)38)37(36-22)29-26(45-32(41)21-14-8-3-9-15-21)25(44-31(40)20-12-6-2-7-13-20)23(43-29)17-42-30(39)19-10-4-1-5-11-19/h1-15,18,23,25-26,29H,17H2,(H,34,35,38)"	C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C4=C(C(=N3)C#N)C(=O)NC=N4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6	HVJIZKAPCMQVIJ-UHFFFAOYSA-N
DG68756	"3-(2-Quinolinyl)-6-(3,4,5-trimethoxyphenyl)-2,4-pyridinediol"	135429924	"NSC612223; MLS002701745; CHEMBL1868171; ZINC8652884; NSC-612223; NCI60_004866; SMR001565341; 3-(2-quinolyl)-6-(3,4,5-trimethoxyphenyl)pyridine-2,4-diol; 3-(2-Quinolinyl)-6-(3,4,5-trimethoxyphenyl)-2,4-pyridinediol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	612223	.	.	.	.	404.4	C23H20N2O5	89.9	692	3.1	30	2	6	5	"InChI=1S/C23H20N2O5/c1-28-19-10-14(11-20(29-2)22(19)30-3)17-12-18(26)21(23(27)25-17)16-9-8-13-6-4-5-7-15(13)24-16/h4-12H,1-3H3,(H2,25,26,27)"	COC1=CC(=CC(=C1OC)OC)C2=CC(=C(C(=O)N2)C3=NC4=CC=CC=C4C=C3)O	YWPPHDQAYFSWOW-UHFFFAOYSA-N
DG68757	"4-amino-N-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)vinyl]benzamide"	135429947	"NSC624417; CHEMBL1965779; NSC-624417; 4-Amino-N-(2-(1,3-benzodioxol-5-yl)-1-(6,11-dioxo-6,11-dihydro-1H-anthra[1,2-d]imidazol-2-yl)vinyl)benzamide; 4-amino-N-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)vinyl]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624417	.	.	.	.	528.5	C31H20N4O5	136	1040	4.5	40	3	7	4	"InChI=1S/C31H20N4O5/c32-18-8-6-17(7-9-18)31(38)34-23(13-16-5-12-24-25(14-16)40-15-39-24)30-33-22-11-10-21-26(27(22)35-30)29(37)20-4-2-1-3-19(20)28(21)36/h1-14H,15,32H2,(H,33,35)(H,34,38)/b23-13-"	C1OC2=C(O1)C=C(C=C2)/C=C(/C3=NC4=C(N3)C5=C(C=C4)C(=O)C6=CC=CC=C6C5=O)\\NC(=O)C7=CC=C(C=C7)N	SBWPVXKDOABSES-QRVIBDJDSA-N
DG68758	"N-[(Z)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)-2-(3,4,5-trimethoxyphenyl)vinyl]benzamide"	135429949	"NSC624431; CHEMBL1978990; NSC-624431; Benzamide,11-dihydro-6,11-dioxo-1H-anthra[1,2-d] imidazol-2-yl)-2-(3,4,5-trimethoxylphenyl)ethenyl]-; N-(1-(6,11-Dioxo-6,11-dihydro-1H-anthra[1,2-d]imidazol-2-yl)-2-(3,4,5-trimethoxyphenyl)vinyl)benzamide; N-[(Z)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)-2-(3,4,5-trimethoxyphenyl)vinyl]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624431	.	.	.	.	559.6	C33H25N3O6	120	1030	5.3	42	2	7	7	"InChI=1S/C33H25N3O6/c1-40-25-16-18(17-26(41-2)31(25)42-3)15-24(35-33(39)19-9-5-4-6-10-19)32-34-23-14-13-22-27(28(23)36-32)30(38)21-12-8-7-11-20(21)29(22)37/h4-17H,1-3H3,(H,34,36)(H,35,39)/b24-15-"	COC1=CC(=CC(=C1OC)OC)/C=C(/C2=NC3=C(N2)C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)\\NC(=O)C6=CC=CC=C6	UTXKAEJVXOAKIN-IWIPYMOSSA-N
DG68759	"N-[(Z)-2-(4-acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)vinyl]benzamide"	135429950	"NSC624432; CHEMBL1964809; NSC-624432; N-(2-(4-(Acetylamino)phenyl)-1-(6,11-dioxo-6,11-dihydro-1H-anthra[1,2-d]imidazol-2-yl)vinyl)benzamide; N-[(Z)-2-(4-acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)vinyl]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624432	.	.	.	.	526.5	C32H22N4O4	121	1030	4.5	40	3	5	5	"InChI=1S/C32H22N4O4/c1-18(37)33-21-13-11-19(12-14-21)17-26(35-32(40)20-7-3-2-4-8-20)31-34-25-16-15-24-27(28(25)36-31)30(39)23-10-6-5-9-22(23)29(24)38/h2-17H,1H3,(H,33,37)(H,34,36)(H,35,40)/b26-17-"	CC(=O)NC1=CC=C(C=C1)/C=C(/C2=NC3=C(N2)C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)\\NC(=O)C6=CC=CC=C6	OQDKQQIJHWYULB-ONUIUJJFSA-N
DG68760	"2-((4-Amino-5-carboxy-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-3-hydroxybenzoic acid"	135429956	"NSC625326; CHEMBL2000861; NSC-625326; 2-((4-Amino-5-carboxy-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-3-hydroxybenzoic acid; NCI60_007806; 2-amino-5-(2-carboxy-6-hydroxy-anilino)-3,6-dioxo-cyclohexa-1,4-diene-1-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625326	.	.	.	.	318.24	C14H10N2O7	171	637	1.2	23	5	9	3	"InChI=1S/C14H10N2O7/c15-10-8(18)4-6(12(19)9(10)14(22)23)16-11-5(13(20)21)2-1-3-7(11)17/h1-4,18-19H,15H2,(H,20,21)(H,22,23)"	C1=CC(=O)C(=NC2=CC(=C(C(=C2O)C(=O)O)N)O)C(=C1)C(=O)O	GEZBGWSDMOVDPC-UHFFFAOYSA-N
DG68761	"{11H-1,2,4-Triazolo[4',3':2,3]pyridazino[4,5-b]indole,} 8-methoxy-"	135429957	"NSC626421; CHEMBL8144; ZINC6411856; {11H-1,2,4-Triazolo[4',3':2,3]pyridazino[4,5-b]indole,} 8-methoxy-; NSC-626421; NCI60_008352; 11H-1,4-Triazolo[4',3':2,3]pyridazino[4,5-b]indole, 8-methoxy-; 8-Methoxy-11H-[1,2,4]triazolo[4',3':2,3]pyridazino[4,5-b]indole; Methyl 11H-[1,2,4]triazolo[4',3':2,3]pyridazino[4,5-b]indol-8-yl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626421	.	.	.	.	239.23	C12H9N5O	68.1	328	1.2	18	1	4	1	"InChI=1S/C12H9N5O/c1-18-7-2-3-10-8(4-7)9-5-14-17-6-13-16-12(17)11(9)15-10/h2-6,15H,1H3"	COC1=CC2=C(C=C1)NC3=C2C=NN4C3=NN=C4	RKPUFYRAGXHCML-UHFFFAOYSA-N
DG68762	"1,3-bis[(E)-(5-bromo-2-hydroxy-phenyl)methyleneamino]urea"	135429959	"NSC626628; CHEMBL1966715; SCHEMBL17438105; HMS556L15; ZINC35935826; NSC-626628; 1,3-bis[(E)-(5-bromo-2-hydroxy-phenyl)methyleneamino]urea; N'',N'''-Bis(5-bromo-2-hydroxybenzylidene)carbonohydrazide; N'',N'''-bis[(E)-1-(5-bromo-2-hydroxyphenyl)methylidene]carbonic dihydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626628	.	.	.	.	456.09	C15H12Br2N4O3	106	438	3.3	24	4	5	4	"InChI=1S/C15H12Br2N4O3/c16-11-1-3-13(22)9(5-11)7-18-20-15(24)21-19-8-10-6-12(17)2-4-14(10)23/h1-8,22-23H,(H2,20,21,24)/b18-7+,19-8+"	C1=CC(=C(C=C1Br)/C=N/NC(=O)N/N=C/C2=C(C=CC(=C2)Br)O)O	UXBYQJIQRYVDEN-NDILIQOGSA-N
DG68763	NSC626807	135429960	"3,12,21,28-Tetrahydroxy-2,13-bis(hydroxymethyl)-19,30-dimethyl-36,37-dioxo-16,33,35,38-tetraoxa-7,8,24,25-tetrazaheptacyclo[29.3.2.214,18.05,34.010,15.017,22.027,32]octatriaconta-1(34),2,4,6,8,10,12,14,17,19,21,23,25,27,29,31-hexadecaene-4,11-dicarboxylic acid; NSC626807; CHEMBL1973672; NSC-626807; NCI60_008473; tetrahydroxy-bis(hydroxymethyl)-dimethyl-dioxo-[ ]dicarboxylic acid; 4,6:19,17-Di(epoxymethano)tetrabenzo[b,h,k,q][1,10,5,6,14,15]dioxatetraazacyclooctadecine-1,22-dicarboxylic acid, 2,9,14,21-tetrahydroxy-3,20-bis(hydroxymethyl)-7,16-dimethyl-28,29-dioxo-, (10Z,12Z,23Z,25Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626807	.	.	.	.	768.6	C36H24N4O16	317	1540	1.7	56	8	20	4	"InChI=1S/C36H24N4O16/c1-11-3-19(43)13-5-37-38-6-14-20(44)4-12(2)22-28(14)54-30-16(24(34(49)50)26(46)18(10-42)32(30)56-36(22)52)8-40-39-7-15-23(33(47)48)25(45)17(9-41)31-29(15)53-27(13)21(11)35(51)55-31/h3-8,41-46H,9-10H2,1-2H3,(H,47,48)(H,49,50)"	CC1=CC(=C2C=NN=CC3=C(C=C(C4=C3OC5=C(C(=C(C(=C5C=NN=CC6=C(C(=C(C7=C6OC2=C1C(=O)O7)CO)O)C(=O)O)C(=O)O)O)CO)OC4=O)C)O)O	DUEMNKHDXDFLDH-UHFFFAOYSA-N
DG68764	"1H-Pyrazole-1-carboxaldehyde, 4,5-dihydro-3-(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)-5-phenyl-"	135429970	"NSC628694; CHEMBL1982432; NSC-628694; NCI60_009295; 5-(7-hydroxy-4-methyl-2-oxo-chromen-8-yl)-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde; 1H-Pyrazole-1-carboxaldehyde, 4,5-dihydro-3-(7-hydroxy- 4-methyl-2-oxo-2H-1-benzopyran-8-yl)- 5-phenyl-; 1H-Pyrazole-1-carboxaldehyde,5-dihydro-3-(7-hydroxy- 4-methyl-2-oxo-2H-1-benzopyran-8-yl)- 5-phenyl-; 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628694	.	.	.	.	348.4	C20H16N2O4	79.2	638	2.3	26	1	5	2	"InChI=1S/C20H16N2O4/c1-12-9-18(25)26-20-14(12)7-8-17(24)19(20)15-10-16(22(11-23)21-15)13-5-3-2-4-6-13/h2-9,11,16,24H,10H2,1H3"	CC1=CC(=O)OC2=C1C=CC(=C2C3=NN(C(C3)C4=CC=CC=C4)C=O)O	QLTDYGIOVYGJHR-UHFFFAOYSA-N
DG68765	NSC630454	135429984	"dibutyltin;[(Z)-N-[(Z)-1-pyridin-2-ylethylideneamino]-C-sulfaniumylcarbonimidoyl]azanide;[(Z)-N-[(E)-1-pyridin-2-ylethylideneamino]-C-sulfaniumylcarbonimidoyl]azanide; NSC630454; (1E,6Z)-5,5-dibutyl-1,6-bis[1-(2-pyridyl)ethylidene]-[ ]spiro[4.4]nonane-3,8-diimine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630454	.	.	.	.	621.5	C24H38N8S2Sn	79.2	601	.	35	4	8	8	"InChI=1S/2C8H9N4S.2C4H9.Sn/c2*1-6(11-12-8(9)13)7-4-2-3-5-10-7;2*1-3-4-2;/h2*2-5H,1H3,(H2-,9,10,12,13);2*1,3-4H2,2H3;/q2*-1;;;/p+2"	CCCC[Sn]CCCC.C/C(=N\\N=C(\\[NH-])/[SH2+])/C1=CC=CC=N1.C/C(=N/N=C(/[NH-])\\[SH2+])/C1=CC=CC=N1	XAGGHPLFGQFPCU-UHFFFAOYSA-P
DG68766	dibutyltin;[(Z)-C-sulfaniumyl-N-[(Z)-1-thiophen-2-ylethylideneamino]carbonimidoyl]azanide	135429985	"NSC630455; (1E,6E)-5,5-dibutyl-1,6-bis[1-(2-thienyl)ethylidene]-[ ]spiro[4.4]nonane-3,8-diimine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630455	.	.	.	.	631.5	C22H36N6S4Sn	110	576	.	33	4	8	8	"InChI=1S/2C7H8N3S2.2C4H9.Sn/c2*1-5(9-10-7(8)11)6-3-2-4-12-6;2*1-3-4-2;/h2*2-4H,1H3,(H2-,8,10,11);2*1,3-4H2,2H3;/q2*-1;;;/p+2/b2*9-5-;;;"	CCCC[Sn]CCCC.C/C(=N/N=C(\\[SH2+])/[NH-])/C1=CC=CS1.C/C(=N/N=C(\\[SH2+])/[NH-])/C1=CC=CS1	IDNRYELCHONNQG-WLQUCDNDSA-P
DG68767	"2-Methyl-1H-imidazo[4,5-d]pyridazin-4-ol"	135430103	"NSC690589; CHEMBL1997979; NSC-690589; NCI60_032513; 2-Methyl-1H-imidazo[4,5-d]pyridazin-4-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690589	.	.	.	.	150.14	C6H6N4O	70.1	215	-0.1	11	2	3	0	"InChI=1S/C6H6N4O/c1-3-8-4-2-7-10-6(11)5(4)9-3/h2H,1H3,(H,8,9)(H,10,11)"	CC1=NC2=C(N1)C=NNC2=O	QSHAJDUVVRZQFC-UHFFFAOYSA-N
DG68768	2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)-1-(phenoxymethyl)ethyl benzoate	135430117	NSC637535; CHEMBL1974638; NSC-637535; 2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)-1-(phenoxymethyl)ethyl benzoate; NCI60_012448; [1-[(2-benzamido-6-hydroxy-purin-7-yl)methyl]-2-phenoxy-ethyl] benzoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637535	.	.	.	.	509.5	C28H23N5O5	124	864	3.9	38	2	7	10	"InChI=1S/C28H23N5O5/c34-25(19-10-4-1-5-11-19)31-28-30-24-23(26(35)32-28)33(18-29-24)16-22(17-37-21-14-8-3-9-15-21)38-27(36)20-12-6-2-7-13-20/h1-15,18,22H,16-17H2,(H2,30,31,32,34,35)"	C1=CC=C(C=C1)C(=O)NC2=NC3=C(C(=O)N2)N(C=N3)CC(COC4=CC=CC=C4)OC(=O)C5=CC=CC=C5	LLKTWSQXNAIHSZ-UHFFFAOYSA-N
DG68769	2-(4-methoxyphenyl)-1H-quinazolin-4-one	135430309	"1152-07-4; 2-(4-methoxyphenyl)-1H-quinazolin-4-one; 2-(4-methoxyphenyl)quinazolin-4(3H)-one; 2-(4-methoxyphenyl)quinazolin-4-ol; 2-(4-Methoxyphenyl)-4(3H)-quinazolinone; 2-(4-Methoxy-phenyl)-quinazolin-4-ol; MLS001205826; CHEMBL336718; SMR000523524; 2-(4-Methoxyphenyl)-3,4-Dihydroquinazolin-4-One; NSC682438; TimTec1_007437; Oprea1_307444; Oprea1_424009; cid_388017; SCHEMBL7673043; SCHEMBL8502164; BDBM76661; DTXSID50327754; CHEBI:105942; HMS1555C01; HMS2816K03; AMY22028; 2-(4-Methoxyphenyl)-4-quinazolinol; BDBM50019166; MFCD02643519; STK166916; STK552863; ZINC18266194; 2-(4-methoxylphenyl)-4-quinazolinone; AKOS000627559; AKOS002225078; AKOS002530110; 2-(4'-Methoxyphenyl)-4-quinazolinone; MCULE-1766952857; NSC-682438; IDI1_033091; NCI60_029485; 2-(4-methoxyphenyl)-3H-quinazolin-4-one; 2-(4-methoxyphenyl)-4(1H)-quinazolinone; 2-(4-Methoxyphenyl)quinazolin-4(1H)-one; DB-116307; CS-0335242; AL-398/12677041; SR-01000459437; SR-01000459437-1; Q27183734; 08C"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682438	.	.	.	.	252.27	C15H12N2O2	50.7	372	2.3	19	1	3	2	"InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)"	COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2	HETSSARHFAGODR-UHFFFAOYSA-N
DG68770	Kinamycin C	135430800	"Kinamycin C; 35303-08-3; (1R,2R,3R,4S)-11-diazo-2,9-dihydroxy-2-methyl-5,10-dioxo-2,3,4,5,10,11-hexahydro-1H-benzo[b]fluorene-1,3,4-triyl triacetate; NSC 138425; BRN 0505519; SCHEMBL3890062; CHEBI:48211; NSC-138425; Q27121094"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	138425	.	.	.	.	496.4	C24H20N2O10	156	1210	0.5	36	2	11	6	"InChI=1S/C24H20N2O10/c1-8(27)34-21-15-14-16(20(32)13-11(19(14)31)6-5-7-12(13)30)18(26-25)17(15)22(35-9(2)28)24(4,33)23(21)36-10(3)29/h5-7,21-23,30,33H,1-4H3/t21-,22+,23+,24+/m0/s1"	CC(=O)O[C@@H]1[C@H]([C@]([C@@H](C2=C1C3=C(C2=[N+]=[N-])C(=O)C4=C(C3=O)C=CC=C4O)OC(=O)C)(C)O)OC(=O)C	MXDLFLPONIABIS-OLKYXYMISA-N
DG68771	Plevitrexed	135430970	"Plevitrexed; 153537-73-6; ZD9331; ZD 9331; ZD-9331; UNII-L9P2881C3H; (2S)-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid; CHEMBL126648; 172521-94-7; L9P2881C3H; NSC-696259; (2S)-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoro-benzoyl]amino]; NSC 696259; BGC9331; Plevitrexed [INN:BAN]; BGC 9331; Plevitrexed (INN); (2S)-2-((4-(((2,7-Dimethyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)-2-fluorobenzoyl)amino)-4-(1H-tetrazol-5-yl)butanoic acid; Bgc-9331; SCHEMBL177609; Plevitrexed(NSC 696259); GTPL8278; SCHEMBL10067655; DTXSID10165351; ZINC1654736; BDBM50081252; NSC696259; DB06163; 1H-Tetrazole-5-butanoic acid, alpha-((4-(((1,4-dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)-2-fluorobenzoyl)amino)-, (alphaS)-; 1H-Tetrazole-5-butanoic acid, alpha-((4-(((1,4-dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)-2-fluorobenzoyl)amino)-, (S)-; HY-13728; NCI60_034390; CS-0007757; D10803; Q27088412; UNII-N094EYQ29D component IEJSCSAMMLUINT-NRFANRHFSA-N; (2S)-2-({4-[[(2,7-Dimethyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino]-2-fluorobenzoyl}amino)-4-(1H-tetrazol-5-yl)butanoic acid; (S)-2-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-4-(1H-tetrazol-5-yl)-butyric acid; 1H-Tetrazole-5-butanoic acid,4-dihydro-2,7- dimethyl-4-oxo-6-quinazolinyl)methyl]-2-propynylamino]-2-fluorobenzoyl]amino]-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696259	.	.	.	.	532.5	C26H25FN8O4	166	1000	1.7	39	4	10	10	"InChI=1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)/t21-/m0/s1"	CC1=CC2=C(C=C1CN(CC#C)C3=CC(=C(C=C3)C(=O)N[C@@H](CCC4=NNN=N4)C(=O)O)F)C(=O)NC(=N2)C	IEJSCSAMMLUINT-NRFANRHFSA-N
DG68772	Pelitrexol	135431074	"Pelitrexol; 446022-33-9; AG 2037; AG-2037; UNII-DHT6E8M4KP; AG2037; DHT6E8M4KP; (2S)-2-[[5-[2-[(6S)-2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]-4-methylthiophene-2-carbonyl]amino]pentanedioic acid; Pelitrexol [USAN:INN]; Pelitrexol (USAN/INN); CHEMBL2107361; SCHEMBL13916067; DTXSID50196245; ZINC4846117; NSC767745; AG-2038; DB12757; NSC-767745; HY-14530; CS-0003432; D05400; 022P339; BENZYLN-BOC-4-ISOPROPYL-4-PIPERIDINECARBOXYLATE; Q27276401; (2S)-2-(((5-(2-((6S)-2-Amino-4-oxo-1,4,5,6,7,8-hexahydropyrido(2,3-d)pyrimidin-6-yl)ethyl)-4-methylthiophen-2-yl)carbonyl)amino)pentanedioic acid; L-Glutamic acid, N-((5-(2-((6S)-2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido(2,3-d)pyrimidin-6-yl)ethyl)-4-methyl-2-thienyl)carbonyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767745	.	.	.	.	463.5	C20H25N5O6S	211	859	0.7	32	6	9	9	"InChI=1S/C20H25N5O6S/c1-9-6-14(18(29)23-12(19(30)31)3-5-15(26)27)32-13(9)4-2-10-7-11-16(22-8-10)24-20(21)25-17(11)28/h6,10,12H,2-5,7-8H2,1H3,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t10-,12-/m0/s1"	CC1=C(SC(=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC[C@H]2CC3=C(NC2)N=C(NC3=O)N	QXOPTIPQEVJERB-JQWIXIFHSA-N
DG68773	"Streptovaricinoic acid, methyl ester"	135431273	"STREPTOVARICIN C; Streptovaricin complex, fraction c; Streptovaricinoic acid, methyl ester; MLS000737869; Dalacin C (Antibiotic 101a-3); NSC19990; NSC189795; 23344-17-4; 6,24a-Dimethano-24aH-m-dioxino[4,5,6-st][4]benzazacycloheneicosine-7,11,26(10H,16H)-trione, 17,18,19,20,21,22,23,24-octahydro-5,17,19,21,25-hexahydroxy-24-(2-hydroxypropenyl)-23-methoxy-4,8,12,16,18,22,24-heptamethyl-, 24-acetate; CHEMBL2003251; NSC-19990; NSC-189795"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19990	.	.	.	.	769.8	C40H51NO14	239	1680	2.5	55	7	14	4	"InChI=1S/C40H51NO14/c1-16-12-11-13-17(2)38(49)41-28-19(4)36(55-23(8)42)24-25(33(28)47)31(45)21(6)35-26(24)34(53-15-54-35)18(3)14-40(9,51)37(48)22(7)32(46)27(39(50)52-10)30(44)20(5)29(16)43/h11-14,16,20,22,27,29-30,32,37,43-44,46-48,51H,15H2,1-10H3,(H,41,49)/b12-11-,17-13 ,18-14 "	CC1/C=C\\C=C(C(=O)NC2=C(C(=C3C(=C2O)C(=O)C(=C4C3=C(C(=CC(C(C(C(C(C(C(C1O)C)O)C(=O)OC)O)C)O)(C)O)C)OCO4)C)OC(=O)C)C)C	JDECNKBYILMOLE-UBBKACLCSA-N
DG68774	N-[(E)-[1-(5-chloro-2-hydroxyphenyl)-3-methylbutylidene]amino]pyridine-4-carboxamide	135431336	MLS002639168; NSC27604; ZINC4539116; NSC-27604	.	.	Investigative Drug(s)	Investigative	Small molecular drug	27604	.	.	.	.	331.8	C17H18ClN3O2	74.6	422	3.5	23	2	4	5	"InChI=1S/C17H18ClN3O2/c1-11(2)9-15(14-10-13(18)3-4-16(14)22)20-21-17(23)12-5-7-19-8-6-12/h3-8,10-11,22H,9H2,1-2H3,(H,21,23)/b20-15+"	CC(C)C/C(=N\\NC(=O)C1=CC=NC=C1)/C2=C(C=CC(=C2)Cl)O	RKYOOFYXWKNEDT-HMMYKYKNSA-N
DG68775	5-Chlorosalicylaldehyde isonicotinoylhydrazone	135431337	SCHEMBL2995830; SCHEMBL2995828; ZINC243269; 732-92-3; NSC27607; NSC-27607; 5-Chlorosalicylaldehyde isonicotinoylhydrazone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	27607	.	.	.	.	275.69	C13H10ClN3O2	74.6	332	2	19	2	4	3	"InChI=1S/C13H10ClN3O2/c14-11-1-2-12(18)10(7-11)8-16-17-13(19)9-3-5-15-6-4-9/h1-8,18H,(H,17,19)/b16-8-"	C1=CC(=C(C=C1Cl)/C=N\\NC(=O)C2=CC=NC=C2)O	XBMCOYHOYXSRDF-PXNMLYILSA-N
DG68776	N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide	135431368	MLS002639302; NSC29865; ZINC4464072; NSC-29865	.	.	Investigative Drug(s)	Investigative	Small molecular drug	29865	.	.	.	.	386.4	C18H18N4O4S	149	498	2.1	27	4	7	8	"InChI=1S/C18H18N4O4S/c23-15-7-3-1-5-13(15)9-19-21-17(25)11-27-12-18(26)22-20-10-14-6-2-4-8-16(14)24/h1-10,23-24H,11-12H2,(H,21,25)(H,22,26)/b19-9-,20-10+"	C1=CC=C(C(=C1)/C=N/NC(=O)CSCC(=O)N/N=C\\C2=CC=CC=C2O)O	BJXHONRYWGYJOW-KFSYKRRRSA-N
DG68777	"Benzimidazo[1,2-c]quinazolin-6(12h)-one"	135431964	"benzimidazo[1,2-c]quinazolin-6(12h)-one; 16367-99-0; 5H-benzimidazolo[1,2-c]quinazolin-6-one; NSC124202; SCHEMBL824367; SCHEMBL9985295; CHEMBL1972047; DTXSID10298557; ZINC12495494; AKOS034125512; NSC-124202; NCI60_000570; Benzoimidazo[1,2-c]quinazoline-6(5H)-one; 5,6-dihydrobenzo[4,5]imidazo[1,2-c]quinazolin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	124202	.	.	.	.	235.24	C14H9N3O	46.9	359	2.4	18	1	2	0	"InChI=1S/C14H9N3O/c18-14-16-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)17(13)14/h1-8H,(H,16,18)"	C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N3C(=O)N2	FXLMBSXEKAGOTM-UHFFFAOYSA-N
DG68778	4-(9-Anthrylmethyl)-7-methoxy-8-isoquinolinol	135431975	"NSC131734; NSC-131734; NCIStruc1_001551; NCIStruc2_001833; CHEMBL1411360; ZINC5640369; CCG-36962; NCGC00014312; NCI131734; NCGC00014312-02; NCGC00097421-01; NCI60_000701; 4-(9-anthrylmethyl)-7-methoxy-8-isoquinolinol; 4-(9-anthrylmethyl)-7-methoxy-isoquinolin-8-ol; 8-Isoquinolinol, 4-(9-anthracenylmethyl)-7-methoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131734	.	.	.	.	365.4	C25H19NO2	42.4	503	6.1	28	1	3	3	"InChI=1S/C25H19NO2/c1-28-24-11-10-21-18(14-26-15-23(21)25(24)27)13-22-19-8-4-2-6-16(19)12-17-7-3-5-9-20(17)22/h2-12,14-15,27H,13H2,1H3"	COC1=C(C2=C(C=C1)C(=CN=C2)CC3=C4C=CC=CC4=CC5=CC=CC=C53)O	JHFFMOBBXABAMC-UHFFFAOYSA-N
DG68779	"(2Z)-1-(4-ethoxyphenyl)-2-[(3Z)-3-[2-(4-ethoxyphenyl)-2-oxo-ethylidene]-1,4-dihydroquinoxalin-2-ylidene]ethanone"	135432523	"NSC689824; CHEMBL1971799; AKOS024363385; MCULE-3026819865; NSC-689824; NCI60_032304; Ethanone, 2,2'-(1,4-dihydro-2,3-quinoxalinediylidene)bis[1-(4-ethoxyphenyl)-, (2Z,2'Z)-; (2Z)-1-(4-ethoxyphenyl)-2-[(3Z)-3-[2-(4-ethoxyphenyl)-2-oxo-ethylidene]-1,4-dihydroquinoxalin-2-ylidene]ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689824	.	.	.	.	454.5	C28H26N2O4	84.7	622	5.4	34	2	6	8	"InChI=1S/C28H26N2O4/c1-3-33-21-13-9-19(10-14-21)27(31)17-25-26(30-24-8-6-5-7-23(24)29-25)18-28(32)20-11-15-22(16-12-20)34-4-2/h5-18,31-32H,3-4H2,1-2H3/b27-17-,28-18-"	CCOC1=CC=C(C=C1)/C(=C/C2=NC3=CC=CC=C3N=C2/C=C(\\O)/C4=CC=C(C=C4)OCC)/O	HYBPAVZBUFKADQ-HJTNQMAYSA-N
DG68780	"6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one"	135433200	"MLS000417632; SMR000242741; CHEMBL1388290; BDBM51726; cid_5886407; CHEBI:119836; HMS2769L12; NSC744227; NSC-744227; 6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one; 6-[(E)-2-(3-methoxyphenyl)vinyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744227	.	.	.	.	344.4	C20H16N4O2	68.5	570	3.1	26	1	4	4	"InChI=1S/C20H16N4O2/c1-26-16-9-5-6-14(12-16)10-11-18-22-19-17(20(25)23-18)13-21-24(19)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,23,25)/b11-10+"	COC1=CC=CC(=C1)/C=C/C2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)N2	ULTRGZWWFOUMRD-ZHACJKMWSA-N
DG68781	Althiomycin	135434097	"Althiomycin; Altiomycin; NSC102809; 12656-40-5; CHEMBL1967492; SCHEMBL22149211; CHEBI:157683; NSC-102809; N-[2-hydroxy-1-[4-(3-methoxy-5-oxo-2H-pyrrole-1-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]ethyl]-2-(nitrosomethylidene)-3H-1,3-thiazole-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102809	.	.	.	.	439.5	C16H17N5O6S2	207	773	-0.6	29	3	11	7	"InChI=1S/C16H17N5O6S2/c1-27-8-2-13(23)21(4-8)16(25)11-7-29-15(20-11)9(5-22)19-14(24)10-6-28-12(18-10)3-17-26/h2-3,6,9,11,22,26H,4-5,7H2,1H3,(H,19,24)/b17-3+"	COC1=CC(=O)N(C1)C(=O)C2CSC(=N2)C(CO)NC(=O)C3=CSC(=N3)/C=N/O	VQQNQKXWJMRPHT-IJUHEHPCSA-N
DG68782	Oxindole-Based Inhibitor 66	135434994	"CHEMBL271594; GW300653X; Oxindole-Based Inhibitor 66; BDBM7730; HMS3303A05; HMS3305P01; NSC756211; NSC-756211; NCGC00241952-01; AB01092346-01; 4-[2-(6-Isopropyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-hydrazino]benzenesulfonamide; 4-{2-[(3Z)-2-oxo-6-(propan-2-yl)-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzene-1-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756211	.	.	.	.	358.4	C17H18N4O3S	129	581	3.5	25	3	6	4	"InChI=1S/C17H18N4O3S/c1-10(2)11-3-8-14-15(9-11)19-17(22)16(14)21-20-12-4-6-13(7-5-12)25(18,23)24/h3-10,19,22H,1-2H3,(H2,18,23,24)"	CC(C)C1=CC2=C(C=C1)C(=C(N2)O)N=NC3=CC=C(C=C3)S(=O)(=O)N	BXOSDELNTKJOFY-UHFFFAOYSA-N
DG68783	Oxindole-Based Inhibitor 81	135435007	"GW305178X; Oxindole-Based Inhibitor 81; BDBM7745; CHEMBL409892; SCHEMBL5894133; HMS3303B17; HMS3306F01; BDBM50202329; NSC756217; NSC-756217; NCGC00242125-01; J3.496.868C; AB01092350-01; 4-[N -2-Oxo-2,3-dihydropyrrolo[3,2-f]quinolin-1-ylidene)-hydrazino]benzenesulfonamide; 4-{2-[(3Z)-4-oxo-5,10-diazatricyclo[7.4.0.0;{2,6}]trideca-1,6,8,10,12-pentaen-3-ylidene]hydrazin-1-yl}benzene-1-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756217	.	.	.	.	367.4	C17H13N5O3S	134	939	1	26	3	7	3	"InChI=1S/C17H13N5O3S/c18-26(24,25)11-5-3-10(4-6-11)21-22-16-15-12-2-1-9-19-13(12)7-8-14(15)20-17(16)23/h1-9,19H,(H,20,23)(H2,18,24,25)"	C1=CNC2=CC=C3C(=C(C(=O)N3)N=NC4=CC=C(C=C4)S(=O)(=O)N)C2=C1	PXJOCPODSAQBED-UHFFFAOYSA-N
DG68784	"6-Aryl-pyrazolo[3,4-b]pyridine analogue 13"	135435011	"SB-725317; CHEMBL260417; 6-aryl-pyrazolo[3,4-b]pyridine analogue 13; BDBM8349; SCHEMBL18331480; HMS3303I02; HMS3305M14; NSC756468; pyrazolo[3,4-b]pyridine analogue 4; NSC-756468; NCGC00241913-01; AB01092126-01; 3-(Cyclopropylcarbonylamino)-5-bromo-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridine; N-[5-bromo-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756468	.	.	.	.	373.2	C16H13BrN4O2	90.9	453	2.8	23	3	4	3	"InChI=1S/C16H13BrN4O2/c17-12-7-11-14(18-13(12)8-3-5-10(22)6-4-8)20-21-15(11)19-16(23)9-1-2-9/h3-7,9,22H,1-2H2,(H2,18,19,20,21,23)"	C1CC1C(=O)NC2=NNC3=NC(=C(C=C32)Br)C4=CC=C(C=C4)O	VNVKSDCWJDOWNE-UHFFFAOYSA-N
DG68785	"6-Aryl-pyrazolo[3,4-b]pyridine analogue 23"	135435015	"SB-732881; 6-aryl-pyrazolo[3,4-b]pyridine analogue 23; BDBM8359; CHEMBL261129; HMS3303L16; HMS3305H04; NSC756469; NSC756470; NSC-756469; NSC-756470; NCGC00242119-01; NCGC00242119-02; AB01092125-01; AB01092125-02; N-[5-bromo-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756469	.	.	.	.	430.3	C19H20BrN5O2	94.1	522	2.8	27	3	5	3	"InChI=1S/C19H20BrN5O2/c1-25-8-6-12(7-9-25)19(27)22-18-14-10-15(20)16(21-17(14)23-24-18)11-2-4-13(26)5-3-11/h2-5,10,12,26H,6-9H2,1H3,(H2,21,22,23,24,27)"	CN1CCC(CC1)C(=O)NC2=NNC3=NC(=C(C=C32)Br)C4=CC=C(C=C4)O	BSHCILRNXWKQAL-UHFFFAOYSA-N
DG68786	"1-Phenazinol,8-bis(bromomethyl)-, 5,10-dioxide"	135435456	"NSC614050; CHEMBL1984642; NSC-614050; NCI60_004924; 1-Phenazinol,8-bis(bromomethyl)-, 5,10-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614050	.	.	.	.	414.05	C14H10Br2N2O3	71.2	376	2	21	1	3	2	"InChI=1S/C14H10Br2N2O3/c15-6-8-4-11-12(5-9(8)7-16)18(21)14-10(17(11)20)2-1-3-13(14)19/h1-5,19H,6-7H2"	C1=CC2=C(C(=C1)O)[N+](=C3C=C(C(=CC3=[N+]2[O-])CBr)CBr)[O-]	DOHNLUBBIMJCCQ-UHFFFAOYSA-N
DG68787	4-(4-Fluorophenyl)-1-(2-hydroxybenzylidene)thiosemicarbazide	135435713	MLS002693853; 2-hydroxybenzaldehyde N-(4-fluorophenyl)thiosemicarbazone; CHEMBL2094483; ZINC365966; DNDI1417146; NSC73241; NSC-73241; AN-689/41741148; 4-(4-Fluorophenyl)-1-(2-hydroxybenzylidene)thiosemicarbazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73241	.	.	.	.	289.33	C14H12FN3OS	88.7	345	2.9	20	3	4	3	"InChI=1S/C14H12FN3OS/c15-11-5-7-12(8-6-11)17-14(20)18-16-9-10-3-1-2-4-13(10)19/h1-9,19H,(H2,17,18,20)/b16-9-"	C1=CC=C(C(=C1)/C=N\\NC(=S)NC2=CC=C(C=C2)F)O	OVCWJVRHOUKGII-SXGWCWSVSA-N
DG68788	"Acetamide, N-(7-methyl-1,4-dioxido-1,2,4-benzotriazin-3-yl)-"	135435952	"NSC617844; CHEMBL1967861; Acetamide, N-(7-methyl-1,4-dioxido-1,2,4-benzotriazin-3-yl)-; ZINC1613450; NSC-617844; NCI60_005340; N-(7-methyl-1,4-dioxido-1,2,4-benzotriazine-1,4-diium-3-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617844	.	.	.	.	234.21	C10H10N4O3	92.9	301	-0.4	17	1	4	1	"InChI=1S/C10H10N4O3/c1-6-3-4-8-9(5-6)14(17)12-10(13(8)16)11-7(2)15/h3-5H,1-2H3,(H,11,12,15)"	CC1=CC2=C(C=C1)[N+](=C(N=[N+]2[O-])NC(=O)C)[O-]	URRXCOLJBSHECN-UHFFFAOYSA-N
DG68789	"N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide"	135436146	NSC710320; CHEMBL1980040; NSC-710320	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710320	.	.	.	.	315.35	C14H13N5O2S	120	449	2.5	22	2	6	3	"InChI=1S/C14H13N5O2S/c1-8-12(19-14(16-8)22-9(2)18-19)13(21)17-15-7-10-5-3-4-6-11(10)20/h3-7,20H,1-2H3,(H,17,21)/b15-7+"	CC1=C(N2C(=N1)SC(=N2)C)C(=O)N/N=C/C3=CC=CC=C3O	NKCHLYWKXIADIE-VIZOYTHASA-N
DG68790	"2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide"	135436149	NSC710439; CHEMBL1967177; NSC-710439	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710439	.	.	.	.	518.6	C27H26N4O5S	143	730	4.8	37	3	8	10	"InChI=1S/C27H26N4O5S/c1-34-20-9-5-18(6-10-20)25-26(19-7-11-21(35-2)12-8-19)30-27(29-25)37-16-24(33)31-28-15-17-4-13-22(32)23(14-17)36-3/h4-15,32H,16H2,1-3H3,(H,29,30)(H,31,33)/b28-15+"	COC1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)N/N=C/C3=CC(=C(C=C3)O)OC)C4=CC=C(C=C4)OC	KPKODVBGEKAZLY-RWPZCVJISA-N
DG68791	"7-(3-bromophenyl)-3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one"	135436150	NSC710572; CHEMBL1988005; NSC-710572	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710572	.	.	.	.	477.3	C22H13BrN4O2S	103	826	5.6	30	1	6	3	"InChI=1S/C22H13BrN4O2S/c23-15-6-3-5-14(12-15)20-26-27-21(29)18(24-25-22(27)30-20)10-9-17-16-7-2-1-4-13(16)8-11-19(17)28/h1-12,28H/b10-9+"	C1=CC=C2C(=C1)C=CC(=C2/C=C/C3=NN=C4N(C3=O)N=C(S4)C5=CC(=CC=C5)Br)O	LJJVTDWDWCQHGK-MDZDMXLPSA-N
DG68792	"4-[[4-amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-3-yl]amino]benzenesulfonamide"	135436151	NSC710575; CHEMBL2004957; NSC-710575	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710575	.	.	.	.	450.5	C21H18N6O4S	172	904	1.7	32	4	8	5	"InChI=1S/C21H18N6O4S/c22-27-20(29)18(11-10-17-16-4-2-1-3-13(16)5-12-19(17)28)25-26-21(27)24-14-6-8-15(9-7-14)32(23,30)31/h1-12,28H,22H2,(H,24,26)(H2,23,30,31)/b11-10+"	C1=CC=C2C(=C1)C=CC(=C2/C=C/C3=NN=C(N(C3=O)N)NC4=CC=C(C=C4)S(=O)(=O)N)O	HMRWKTJAGOOTJI-ZHACJKMWSA-N
DG68793	NSC710578	135436154	"4-[[4-amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-3-yl]amino]-N-(4-methyl-1,2-oxazol-5-yl)benzenesulfonamide; NSC710578; CHEMBL1980750; NSC-710578"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710578	.	.	.	.	531.5	C25H21N7O5S	184	1070	2.8	38	4	10	7	"InChI=1S/C25H21N7O5S/c1-15-14-27-37-23(15)31-38(35,36)18-9-7-17(8-10-18)28-25-30-29-21(24(34)32(25)26)12-11-20-19-5-3-2-4-16(19)6-13-22(20)33/h2-14,31,33H,26H2,1H3,(H,28,30)/b12-11+"	CC1=C(ON=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NN=C(C(=O)N3N)/C=C/C4=C(C=CC5=CC=CC=C54)O	QMZUJLHVVSJAFD-VAWYXSNFSA-N
DG68794	NSC710579	135436155	"2-(2-hydroxynaphthalen-1-yl)-3-[6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl]-1,3-thiazolidin-4-one; NSC710579; CHEMBL1977647; NSC-710579"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710579	.	.	.	.	540.6	C28H20N4O4S2	163	1020	5.5	38	3	7	3	"InChI=1S/C28H20N4O4S2/c33-22-13-9-16-5-1-3-7-18(16)20(22)11-12-21-26(36)32(28(37)30-29-21)31-24(35)15-38-27(31)25-19-8-4-2-6-17(19)10-14-23(25)34/h1-14,27,33-34H,15H2,(H,30,37)/b12-11+"	C1C(=O)N(C(S1)C2=C(C=CC3=CC=CC=C32)O)N4C(=O)C(=NNC4=S)/C=C/C5=C(C=CC6=CC=CC=C65)O	HSYNAUWLYUEBBP-VAWYXSNFSA-N
DG68795	"2-[[3-(carboxymethylsulfanyl)-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-4-yl]amino]acetic acid"	135436156	NSC710580; CHEMBL1971214; NSC-710580	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710580	.	.	.	.	428.4	C19H16N4O6S	177	783	0.1	30	4	10	8	"InChI=1S/C19H16N4O6S/c24-15-8-5-11-3-1-2-4-12(11)13(15)6-7-14-18(29)23(20-9-16(25)26)19(22-21-14)30-10-17(27)28/h1-8,20,24H,9-10H2,(H,25,26)(H,27,28)/b7-6+"	C1=CC=C2C(=C1)C=CC(=C2/C=C/C3=NN=C(N(C3=O)NCC(=O)O)SCC(=O)O)O	GSDKSQIJQVXAFB-VOTSOKGWSA-N
DG68796	"4-[(E)-1H-indol-3-ylmethylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one"	135436157	NSC710582; CHEMBL1980340; NSC-710582	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710582	.	.	.	.	271.3	C12H9N5OS	105	449	1.6	19	2	4	2	"InChI=1S/C12H9N5OS/c18-11-7-14-16-12(19)17(11)15-6-8-5-13-10-4-2-1-3-9(8)10/h1-7,13H,(H,16,19)/b15-6+"	C1=CC=C2C(=C1)C(=CN2)/C=N/N3C(=O)C=NNC3=S	XJFQGWBNMVUWLL-GIDUJCDVSA-N
DG68797	"4-amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one"	135436158	NSC710590; CHEMBL1968787; NSC-710590	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710590	.	.	.	.	312.3	C15H12N4O2S	123	534	2.1	22	3	5	2	"InChI=1S/C15H12N4O2S/c16-19-14(21)12(17-18-15(19)22)7-6-11-10-4-2-1-3-9(10)5-8-13(11)20/h1-8,20H,16H2,(H,18,22)/b7-6+"	C1=CC=C2C(=C1)C=CC(=C2/C=C/C3=NNC(=S)N(C3=O)N)O	DXFSCJHGJMKRMY-VOTSOKGWSA-N
DG68798	"1-(4-methylphenyl)-3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-sulfanylideneimidazolidine-4,5-dione"	135436174	NSC711649; CHEMBL1990555; NSC-711649	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711649	.	.	.	.	364.4	C18H12N4O3S	114	699	3	26	1	5	2	"InChI=1S/C18H12N4O3S/c1-10-6-8-11(9-7-10)21-16(24)17(25)22(18(21)26)20-14-12-4-2-3-5-13(12)19-15(14)23/h2-9H,1H3,(H,19,20,23)"	CC1=CC=C(C=C1)N2C(=O)C(=O)N(C2=S)/N=C\\3/C4=CC=CC=C4NC3=O	WPWXNKZJOBVGRP-UHFFFAOYSA-N
DG68799	"2,6-dibromo-4-[(E)-2-[6-[(E)-2-(3,5-dibromo-4-hydroxyphenyl)ethenyl]pyridin-2-yl]ethenyl]phenol"	135436183	NSC711991; CHEMBL1986061; NSC-711991	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711991	.	.	.	.	630.9	C21H13Br4NO2	53.4	491	7.5	28	2	3	4	"InChI=1S/C21H13Br4NO2/c22-16-8-12(9-17(23)20(16)27)4-6-14-2-1-3-15(26-14)7-5-13-10-18(24)21(28)19(25)11-13/h1-11,27-28H/b6-4+,7-5+"	C1=CC(=NC(=C1)/C=C/C2=CC(=C(C(=C2)Br)O)Br)/C=C/C3=CC(=C(C(=C3)Br)O)Br	JMPQADBLBNWFFC-YDFGWWAZSA-N
DG68800	"4-[(E)-2-[6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]pyridin-2-yl]ethenyl]benzene-1,2-diol"	135436185	NSC711993; CHEMBL1978653; NSC-711993	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711993	.	.	.	.	347.4	C21H17NO4	93.8	452	4	26	4	5	4	"InChI=1S/C21H17NO4/c23-18-10-6-14(12-20(18)25)4-8-16-2-1-3-17(22-16)9-5-15-7-11-19(24)21(26)13-15/h1-13,23-26H/b8-4+,9-5+"	C1=CC(=NC(=C1)/C=C/C2=CC(=C(C=C2)O)O)/C=C/C3=CC(=C(C=C3)O)O	XGKCKKCXKSYAJN-KBXRYBNXSA-N
DG68801	"7-Quinolinecarboxylic acid, 2-((1E)-2-(3,4-dihydroxyphenyl)ethenyl)-8-hydroxy-"	135436186	"CHEMBL58057; 7-Quinolinecarboxylic acid, 2-((1E)-2-(3,4-dihydroxyphenyl)ethenyl)-8-hydroxy-; 7-Quinolinecarboxylic acid, 2-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxy-; NSC711994; ZINC4394380; BDBM50065787; NSC-711994; 2-(3,4-Dihydroxystyryl)-8-quinolinol; 4-(2-(8-hydroxyquinolin-2-yl)vinyl)benzene-1,2-diol; 4-[(E)-2-(8-hydroxy-2-quinolyl)vinyl]benzene-1,2-diol; 4-[2-(8-Hydroxy-quinolin-2-yl)-vinyl]-benzene-1,2-diol; 4-[(E)-2-(8-Hydroxy-quinolin-2-yl)-vinyl]-benzene-1,2-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	711994	.	.	.	.	279.29	C17H13NO3	73.6	373	3.4	21	3	4	2	"InChI=1S/C17H13NO3/c19-14-9-5-11(10-16(14)21)4-7-13-8-6-12-2-1-3-15(20)17(12)18-13/h1-10,19-21H/b7-4+"	C1=CC2=C(C(=C1)O)N=C(C=C2)/C=C/C3=CC(=C(C=C3)O)O	WNDFQQZTILEGAV-QPJJXVBHSA-N
DG68802	"3-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-benzo[g]quinoxaline-2,5,10-trione"	135436193	"NSC713198; CHEMBL2006062; NSC-713198; Benzo[g]quinoxaline-2,10(1H)-trione, 5,10-dihydro-3-[[(4-nitrophenyl)hydrazono]methyl]-; Benzo[g]quinoxaline-2-carboxaldehyde,4,5,10-tetrahydro-3,5,10-trioxo-,(4-nitrophenyl)hydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713198	.	.	.	.	389.3	C19H11N5O5	146	848	2.5	29	2	8	3	"InChI=1S/C19H11N5O5/c25-17-12-3-1-2-4-13(12)18(26)16-15(17)21-14(19(27)22-16)9-20-23-10-5-7-11(8-6-10)24(28)29/h1-9,23H,(H,22,27)/b20-9+"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N=C(C(=O)N3)/C=N/NC4=CC=C(C=C4)[N+](=O)[O-]	GBSGQXXEUNAOIN-AWQFTUOYSA-N
DG68803	4-(1H-benzimidazol-2-yl)-N-[(Z)-[2-(4-bromophenyl)-1H-indol-3-yl]methylideneamino]aniline	135436194	CHEMBL1990658; NSC713210; NSC-713210	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713210	.	.	.	.	506.4	C28H20BrN5	68.9	686	7.2	34	3	3	5	"InChI=1S/C28H20BrN5/c29-20-13-9-18(10-14-20)27-23(22-5-1-2-6-24(22)31-27)17-30-34-21-15-11-19(12-16-21)28-32-25-7-3-4-8-26(25)33-28/h1-17,31,34H,(H,32,33)/b30-17-"	C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)Br)/C=N\\NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5	CWPFKGMCXKUYQZ-LQNQUEJISA-N
DG68804	4-(1H-benzimidazol-2-yl)-N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]aniline	135436195	CHEMBL1969896; NSC713211; NSC-713211	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713211	.	.	.	.	427.5	C28H21N5	68.9	653	6.6	33	3	3	5	"InChI=1S/C28H21N5/c1-2-8-19(9-3-1)27-23(22-10-4-5-11-24(22)30-27)18-29-33-21-16-14-20(15-17-21)28-31-25-12-6-7-13-26(25)32-28/h1-18,30,33H,(H,31,32)/b29-18-"	C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)/C=N\\NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5	JUVFPJYJSLKNSU-MIXAMLLLSA-N
DG68805	"4-[(Z)-[(5E)-5-(1,3-benzothiazol-2-ylimino)-1-(3-chlorophenyl)-3-methylpyrazol-4-ylidene]methyl]-2-ethoxyphenol"	135436211	CHEMBL1977712; NSC713651; NSC-713651	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713651	.	.	.	.	489	C26H21ClN4O2S	98.6	821	6.6	34	1	6	5	"InChI=1S/C26H21ClN4O2S/c1-3-33-23-14-17(11-12-22(23)32)13-20-16(2)30-31(19-8-6-7-18(27)15-19)25(20)29-26-28-21-9-4-5-10-24(21)34-26/h4-15,32H,3H2,1-2H3/b20-13-,29-25+"	CCOC1=C(C=CC(=C1)/C=C\\2/C(=NN(/C2=N/C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)Cl)C)O	HYCHBAYNMLAXLQ-CLRATCJESA-N
DG68806	NSC713663	135436215	"(5Z)-1-(1,3-benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one; NSC713663; NSC-713663"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	713663	.	.	.	.	551.4	C27H20Cl2N4O3S	107	968	6.3	37	1	7	4	"InChI=1S/C27H20Cl2N4O3S/c1-15-19(12-16-10-11-21(34)22(13-16)36-2)27(33(31-15)18-7-5-6-17(28)14-18)24(29)25(35)32(27)26-30-20-8-3-4-9-23(20)37-26/h3-14,24,34H,1-2H3/b19-12-"	CC\\1=NN(C2(/C1=C\\C3=CC(=C(C=C3)O)OC)C(C(=O)N2C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)Cl	VNDOCQLTUJVVEX-UNOMPAQXSA-N
DG68807	1-(2-chlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]urea	135436232	NSC715190; CHEMBL2002088; NSC-715190	.	.	Investigative Drug(s)	Investigative	Small molecular drug	715190	.	.	.	.	303.74	C15H14ClN3O2	73.7	381	3.1	21	3	3	3	"InChI=1S/C15H14ClN3O2/c1-10(11-6-8-12(20)9-7-11)18-19-15(21)17-14-5-3-2-4-13(14)16/h2-9,20H,1H3,(H2,17,19,21)/b18-10+"	C/C(=N\\NC(=O)NC1=CC=CC=C1Cl)/C2=CC=C(C=C2)O	BVCBWNBPUWOMLE-VCHYOVAHSA-N
DG68808	4-[(E)-[[2-(4-methylphenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol	135436246	NSC716044; Neuro1_000400; CHEMBL1985341; NSC-716044	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716044	.	.	.	.	354.4	C22H18N4O	70.4	483	5.5	27	2	5	4	"InChI=1S/C22H18N4O/c1-15-6-10-17(11-7-15)21-24-20-5-3-2-4-19(20)22(25-21)26-23-14-16-8-12-18(27)13-9-16/h2-14,27H,1H3,(H,24,25,26)/b23-14+"	CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N/N=C/C4=CC=C(C=C4)O	GWPLWEFRYKBBIT-OEAKJJBVSA-N
DG68809	4-acetamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide	135436250	NSC716144; CHEMBL1980388; NSC-716144	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716144	.	.	.	.	357.4	C18H19N3O5	109	513	1.6	26	3	6	6	"InChI=1S/C18H19N3O5/c1-11(22)20-13-5-6-14(16(9-13)25-2)18(24)21-19-10-12-4-7-15(23)17(8-12)26-3/h4-10,23H,1-3H3,(H,20,22)(H,21,24)/b19-10+"	CC(=O)NC1=CC(=C(C=C1)C(=O)N/N=C/C2=CC(=C(C=C2)O)OC)OC	MFXAZGGRQDASOE-VXLYETTFSA-N
DG68810	"2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide"	135436257	NSC716341; CHEMBL1976345; NSC-716341	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716341	.	.	.	.	524.2	C22H14Cl4N4O3	99.6	719	6.2	33	3	5	5	"InChI=1S/C22H14Cl4N4O3/c1-33-14-8-10(6-7-13(14)31)9-27-30-22(32)16-15(17(23)19(25)20(26)18(16)24)21-28-11-4-2-3-5-12(11)29-21/h2-9,31H,1H3,(H,28,29)(H,30,32)/b27-9+"	COC1=C(C=CC(=C1)/C=N/NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=CC=CC=C4N3)O	DFDWLVMBHSLYFX-OXUBWTJQSA-N
DG68811	"2-[(2-Chlorophenyl)amino]-4-(2,4-dichlorobenzylidene)-1H-imidazole-5(4H)-one"	135436262	"NSC716495; CHEMBL1254205; NSC-716495; (4Z)-2-(2-chloroanilino)-4-[(2,4-dichlorophenyl)methylene]-1H-imidazol-5-one; 2-[(2-Chlorophenyl)amino]-4-(2,4-dichlorobenzylidene)-1H-imidazole-5(4H)-one; 4H-Imidazol-4-one, 2-[(2-chlorophenyl)amino]-5-[(2,4-dichlorophenyl)methylene]-3,5-dihydro-, (5Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716495	.	.	.	.	366.6	C16H10Cl3N3O	53.5	523	4.8	23	2	2	2	"InChI=1S/C16H10Cl3N3O/c17-10-6-5-9(12(19)8-10)7-14-15(23)22-16(21-14)20-13-4-2-1-3-11(13)18/h1-8H,(H2,20,21,22,23)/b14-7-"	C1=CC=C(C(=C1)N=C2N/C(=C\\C3=C(C=C(C=C3)Cl)Cl)/C(=O)N2)Cl	JLSUZMDDMLEQEG-AUWJEWJLSA-N
DG68812	"(4Z)-2-anilino-4-[(2,6-dichlorophenyl)methylene]-1H-imidazol-5-one"	135436265	"NSC716498; CHEMBL1995780; NSC-716498; (4Z)-2-anilino-4-[(2,6-dichlorophenyl)methylene]-1H-imidazol-5-one; 2-[Phenylamino]-4-(2,6-dichlorobenzylidene)-1H-imidazole-5(4H)-one; 4H-Imidazol-4-one, 5-[(2,6-dichlorophenyl)methylene]-3,5-dihydro-2-(phenylamino)-, (5Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716498	.	.	.	.	332.2	C16H11Cl2N3O	53.5	476	4	22	2	2	3	"InChI=1S/C16H11Cl2N3O/c17-12-7-4-8-13(18)11(12)9-14-15(22)21-16(20-14)19-10-5-2-1-3-6-10/h1-9H,(H2,19,20,21,22)/b14-9-"	C1=CC=C(C=C1)NC2=N/C(=C\\C3=C(C=CC=C3Cl)Cl)/C(=O)N2	KTBPRJSAQNVVMB-ZROIWOOFSA-N
DG68813	NSC716560	135436266	"(3S,8R,9S,10R,13S,14S,16E,17E)-17-hydroxyimino-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-2,3,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol; NSC716560; CHEMBL1964952; NSC-716560"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716560	.	.	.	.	392.5	C25H32N2O2	65.7	750	4.3	29	2	4	1	"InChI=1S/C25H32N2O2/c1-24-9-5-19(28)15-18(24)3-4-20-21(24)6-10-25(2)22(20)14-17(23(25)27-29)13-16-7-11-26-12-8-16/h7-8,11-13,15,19-22,28-29H,3-6,9-10,14H2,1-2H3/b17-13+,27-23+/t19-,20+,21-,22-,24-,25-/m0/s1"	C[C@]12CC[C@@H](C=C1CC[C@@H]3[C@@H]2CC[C@]\\4([C@H]3C/C(=C\\C5=CC=NC=C5)/C4=N\\O)C)O	UDTGKJQQPUBJIT-SXUNDNFOSA-N
DG68814	NSC716561	135436267	"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine; NSC716561; CHEMBL2004939; NSC-716561"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716561	.	.	.	.	405.5	C25H31N3O2	78.1	822	4.5	30	2	5	1	"InChI=1S/C25H31N3O2/c1-24-9-5-19(27-29)15-18(24)3-4-20-21(24)6-10-25(2)22(20)14-17(23(25)28-30)13-16-7-11-26-12-8-16/h7-8,11-13,15,20-22,29-30H,3-6,9-10,14H2,1-2H3/b17-13+,27-19+,28-23+/t20-,21+,22+,24+,25+/m1/s1"	C[C@]12CC/C(=N\\O)/C=C1CC[C@@H]3[C@@H]2CC[C@]\\4([C@H]3C/C(=C\\C5=CC=NC=C5)/C4=N\\O)C	XFNNZVHRRXGRCM-QSWWXAKASA-N
DG68815	ethyl 3-[[5-[(E)-3-methoxy-3-oxoprop-1-enyl]-1H-imidazol-4-yl]diazenyl]benzoate	135436270	NSC716679; CHEMBL1965292; NSC-716679	.	.	Investigative Drug(s)	Investigative	Small molecular drug	716679	.	.	.	.	328.32	C16H16N4O4	106	495	2.7	24	1	7	8	"InChI=1S/C16H16N4O4/c1-3-24-16(22)11-5-4-6-12(9-11)19-20-15-13(17-10-18-15)7-8-14(21)23-2/h4-10H,3H2,1-2H3,(H,17,18)/b8-7+,20-19 "	CCOC(=O)C1=CC(=CC=C1)N=NC2=C(NC=N2)/C=C/C(=O)OC	MVDXZMSQEGHTSK-CSLZILMTSA-N
DG68816	"Urea, N-(6,7-dichloro-3-cyano-1,4-dioxido-2-quinoxalinyl)-N'-[2-(dimethylamino)ethyl]-"	135436277	"NSC717104; NSC-717104; Urea, N-(6,7-dichloro-3-cyano-1,4-dioxido-2-quinoxalinyl)-N'-[2-(dimethylamino)ethyl]-; 1-(6,7-dichloro-3-cyano-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-3-(2-dimethylaminoethyl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717104	.	.	.	.	385.2	C14H14Cl2N6O3	119	530	0.5	25	2	5	4	"InChI=1S/C14H14Cl2N6O3/c1-20(2)4-3-18-14(23)19-13-12(7-17)21(24)10-5-8(15)9(16)6-11(10)22(13)25/h5-6H,3-4H2,1-2H3,(H2,18,19,23)"	CN(C)CCNC(=O)NC1=[N+](C2=CC(=C(C=C2[N+](=C1C#N)[O-])Cl)Cl)[O-]	QOLIGFLCFUIOCS-UHFFFAOYSA-N
DG68817	(5Z)-5-[(4-chlorophenyl)methylidene]-3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylimidazol-4-one	135436278	NSC717234; CHEMBL1975163; NSC-717234	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717234	.	.	.	.	401.8	C23H16ClN3O2	65.3	676	5.1	29	1	4	4	"InChI=1S/C23H16ClN3O2/c24-19-12-10-16(11-13-19)14-20-23(29)27(22(26-20)17-6-2-1-3-7-17)25-15-18-8-4-5-9-21(18)28/h1-15,28H/b20-14-,25-15+"	C1=CC=C(C=C1)C2=N/C(=C\\C3=CC=C(C=C3)Cl)/C(=O)N2/N=C/C4=CC=CC=C4O	HMRHLLQLZROROM-KLINPMNRSA-N
DG68818	"4-bromo-2-((E)-{[2-(3-ethoxy-4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]imino}methyl)phenol"	135436282	"NSC717492; 5625-95-6; 4-bromo-2-((E)-{[2-(3-ethoxy-4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]imino}methyl)phenol; 4-bromo-2-[(E)-{[2-(3-ethoxy-4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]imino}methyl]phenol; CHEMBL2001356; DTXSID60416547; STK755939; AKOS001717104; MCULE-7389051618; NSC-717492"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717492	.	.	.	.	452.3	C22H18BrN3O3	79.4	565	5.4	29	2	5	5	"InChI=1S/C22H18BrN3O3/c1-2-29-19-12-14(6-8-18(19)28)21-22(26-10-4-3-5-20(26)25-21)24-13-15-11-16(23)7-9-17(15)27/h3-13,27-28H,2H2,1H3/b24-13+"	CCOC1=C(C=CC(=C1)C2=C(N3C=CC=CC3=N2)/N=C/C4=C(C=CC(=C4)Br)O)O	GZHARWXYZUYVDT-ZMOGYAJESA-N
DG68819	2-(2-allylphenoxy)-N'~1~-[(E)-1-(1H-indol-3-yl)methylidene]acetohydrazide	135436287	NSC717532; CHEMBL1975683; STK756417; AKOS001723684; MCULE-6843019997; NSC-717532; SR-01000117677; SR-01000117677-1; 2-(2-allylphenoxy)-N'~1~-[(E)-1-(1H-indol-3-yl)methylidene]acetohydrazide; N'-[(E)-1H-indol-3-ylmethylidene]-2-[2-(prop-2-en-1-yl)phenoxy]acetohydrazide; 341493-37-6	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717532	.	.	.	.	333.4	C20H19N3O2	66.5	480	4.1	25	2	3	7	"InChI=1S/C20H19N3O2/c1-2-7-15-8-3-6-11-19(15)25-14-20(24)23-22-13-16-12-21-18-10-5-4-9-17(16)18/h2-6,8-13,21H,1,7,14H2,(H,23,24)/b22-13+"	C=CCC1=CC=CC=C1OCC(=O)N/N=C/C2=CNC3=CC=CC=C32	HNDBQWFUFSXFIJ-LPYMAVHISA-N
DG68820	N'~1~-[(E)-1-(5-bromo-1H-indol-3-yl)methylidene]-2-(2-isopropyl-5-methylphenoxy)acetohydrazide	135436288	NSC717538; CHEMBL1971516; STK756494; AKOS001724713; MCULE-3683805452; NSC-717538; N'-[(E)-(5-bromo-1H-indol-3-yl)methylidene]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetohydrazide; N'~1~-[(E)-1-(5-bromo-1H-indol-3-yl)methylidene]-2-(2-isopropyl-5-methylphenoxy)acetohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717538	.	.	.	.	428.3	C21H22BrN3O2	66.5	528	5.2	27	2	3	6	"InChI=1S/C21H22BrN3O2/c1-13(2)17-6-4-14(3)8-20(17)27-12-21(26)25-24-11-15-10-23-19-7-5-16(22)9-18(15)19/h4-11,13,23H,12H2,1-3H3,(H,25,26)/b24-11+"	CC1=CC(=C(C=C1)C(C)C)OCC(=O)N/N=C/C2=CNC3=C2C=C(C=C3)Br	NXQQZMCDYUVBBV-BHGWPJFGSA-N
DG68821	3-[(3Z)-3-(2-hydroxyethoxyimino)indol-2-yl]-1H-indol-2-ol	135436293	CHEMBL1984134; NSC717833; NSC-717833	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717833	.	.	.	.	321.3	C18H15N3O3	90.2	522	2.6	24	3	5	4	"InChI=1S/C18H15N3O3/c22-9-10-24-21-16-12-6-2-4-8-14(12)19-17(16)15-11-5-1-3-7-13(11)20-18(15)23/h1-8,20,22-23H,9-10H2/b21-16-"	C1=CC=C2C(=C1)C(=C(N2)O)C\\3=NC4=CC=CC=C4/C3=N/OCCO	DBQBVWQSCVSKJI-PGMHBOJBSA-N
DG68822	3-[(3Z)-3-(3-hydroxypropoxyimino)indol-2-yl]-1H-indol-2-ol	135436294	CHEMBL1981651; NSC717834; NSC-717834	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717834	.	.	.	.	335.4	C19H17N3O3	90.2	536	3	25	3	5	5	"InChI=1S/C19H17N3O3/c23-10-5-11-25-22-17-13-7-2-4-9-15(13)20-18(17)16-12-6-1-3-8-14(12)21-19(16)24/h1-4,6-9,21,23-24H,5,10-11H2/b22-17-"	C1=CC=C2C(=C1)C(=C(N2)O)C\\3=NC4=CC=CC=C4/C3=N/OCCCO	JGRCUNSBOPZQIG-XLNRJJMWSA-N
DG68823	3-[(3Z)-3-[2-(2-hydroxyethoxy)ethoxyimino]indol-2-yl]-1H-indol-2-ol	135436295	CHEMBL2006690; NSC717835; NSC-717835; E-564	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717835	.	.	.	.	365.4	C20H19N3O4	99.4	567	2.5	27	3	6	7	"InChI=1S/C20H19N3O4/c24-9-10-26-11-12-27-23-18-14-6-2-4-8-16(14)21-19(18)17-13-5-1-3-7-15(13)22-20(17)25/h1-8,22,24-25H,9-12H2/b23-18-"	C1=CC=C2C(=C1)C(=C(N2)O)C\\3=NC4=CC=CC=C4/C3=N/OCCOCCO	VGQJRAZEAYCIOL-NKFKGCMQSA-N
DG68824	"2H-Indol-2-one,3-dihydro-3-[1,3-dihydro-3-[(2-hydroxy-2-methylpropoxy)imino]-2H-indol-2-ylidene]-, (3Z)-"	135436296	"CHEMBL1986553; NSC717836; NSC-717836; 2H-Indol-2-one,3-dihydro-3-[1,3-dihydro- 3-[(2-hydroxy-2-methylpropoxy)imino]- 2H-indol-2-ylidene]-, (3Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717836	.	.	.	.	349.4	C20H19N3O3	90.2	589	3.2	26	3	5	4	"InChI=1S/C20H19N3O3/c1-20(2,25)11-26-23-17-13-8-4-6-10-15(13)21-18(17)16-12-7-3-5-9-14(12)22-19(16)24/h3-10,22,24-25H,11H2,1-2H3/b23-17-"	CC(C)(CO/N=C\\1/C2=CC=CC=C2N=C1C3=C(NC4=CC=CC=C43)O)O	WNRATXIQFKTBAX-QJOMJCCJSA-N
DG68825	ethyl [(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino] carbonate	135436297	NSC717837; CHEMBL1989211; NSC-717837	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717837	.	.	.	.	349.3	C19H15N3O4	96.3	606	3.9	26	2	6	5	"InChI=1S/C19H15N3O4/c1-2-25-19(24)26-22-16-12-8-4-6-10-14(12)20-17(16)15-11-7-3-5-9-13(11)21-18(15)23/h3-10,21,23H,2H2,1H3/b22-16+"	CCOC(=O)O/N=C/1\\C2=CC=CC=C2N=C1C3=C(NC4=CC=CC=C43)O	QMJLLDUREFASGX-CJLVFECKSA-N
DG68826	ethyl 2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetate	135436298	NSC717838; CHEMBL1991896; NSC-717838	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717838	.	.	.	.	363.4	C20H17N3O4	96.3	620	3.6	27	2	6	6	"InChI=1S/C20H17N3O4/c1-2-26-16(24)11-27-23-18-13-8-4-6-10-15(13)21-19(18)17-12-7-3-5-9-14(12)22-20(17)25/h3-10,22,25H,2,11H2,1H3/b23-18+"	CCOC(=O)CO/N=C/1\\C2=CC=CC=C2N=C1C3=C(NC4=CC=CC=C43)O	UMGFATNCSHQRIG-PTGBLXJZSA-N
DG68827	sodium;2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetic acid	135436299	NSC717839; NSC-717839	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717839	.	.	.	.	358.3	C18H13N3NaO4+	107	591	.	26	3	6	4	"InChI=1S/C18H13N3O4.Na/c22-14(23)9-25-21-16-11-6-2-4-8-13(11)19-17(16)15-10-5-1-3-7-12(10)20-18(15)24;/h1-8,20,24H,9H2,(H,22,23);/q;+1/b21-16+;"	C1=CC=C2C(=C1)C(=C(N2)O)C\\3=NC4=CC=CC=C4/C3=N\\OCC(=O)O.[Na+]	JWWZFSVBHANRIP-JEBHESKQSA-N
DG68828	sodium;3-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropanoic acid	135436300	NSC717840; NSC-717840	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717840	.	.	.	.	372.3	C19H15N3NaO4+	107	606	.	27	3	6	5	"InChI=1S/C19H15N3O4.Na/c23-15(24)9-10-26-22-17-12-6-2-4-8-14(12)20-18(17)16-11-5-1-3-7-13(11)21-19(16)25;/h1-8,21,25H,9-10H2,(H,23,24);/q;+1/b22-17+;"	C1=CC=C2C(=C1)C(=C(N2)O)C\\3=NC4=CC=CC=C4/C3=N\\OCCC(=O)O.[Na+]	BYWWYXKAUHCHQB-GDHRODDYSA-N
DG68829	"[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino] N,N-dimethylcarbamate"	135436302	NSC717841; CHEMBL1975738; NSC-717841	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717841	.	.	.	.	348.4	C19H16N4O3	90.3	618	3.1	26	2	5	3	"InChI=1S/C19H16N4O3/c1-23(2)19(25)26-22-16-12-8-4-6-10-14(12)20-17(16)15-11-7-3-5-9-13(11)21-18(15)24/h3-10,21,24H,1-2H3/b22-16+"	CN(C)C(=O)O/N=C/1\\C2=CC=CC=C2N=C1C3=C(NC4=CC=CC=C43)O	MLKUAMJCAHRSRD-CJLVFECKSA-N
DG68830	2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetamide	135436303	"NSC717842; CHEMBL1980471; NSC-717842; Acetamide,2-dihydro-2-oxo-3H-indol-3-ylidene)- 1,2-dihydro-3H-indol-3-ylidene]amino]oxy]-, (2Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717842	.	.	.	.	334.3	C18H14N4O3	113	591	2.3	25	3	5	4	"InChI=1S/C18H14N4O3/c19-14(23)9-25-22-16-11-6-2-4-8-13(11)20-17(16)15-10-5-1-3-7-12(10)21-18(15)24/h1-8,21,24H,9H2,(H2,19,23)/b22-16+"	C1=CC=C2C(=C1)C(=C(N2)O)C\\3=NC4=CC=CC=C4/C3=N\\OCC(=O)N	RJDWQBIGYGWRAY-CJLVFECKSA-N
DG68831	"2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide"	135436304	NSC717843; CHEMBL1980714; NSC-717843	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717843	.	.	.	.	362.4	C20H18N4O3	90.3	633	2.8	27	2	5	4	"InChI=1S/C20H18N4O3/c1-24(2)16(25)11-27-23-18-13-8-4-6-10-15(13)21-19(18)17-12-7-3-5-9-14(12)22-20(17)26/h3-10,22,26H,11H2,1-2H3/b23-18+"	CN(C)C(=O)CO/N=C/1\\C2=CC=CC=C2N=C1C3=C(NC4=CC=CC=C43)O	ZENOCHLMXUONHM-PTGBLXJZSA-N
DG68832	2-[[2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetyl]amino]acetic acid	135436305	NSC717858; CHEMBL1991232; NSC-717858	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717858	.	.	.	.	392.4	C20H16N4O5	136	709	2.3	29	4	7	6	"InChI=1S/C20H16N4O5/c25-15(21-9-16(26)27)10-29-24-18-12-6-2-4-8-14(12)22-19(18)17-11-5-1-3-7-13(11)23-20(17)28/h1-8,23,28H,9-10H2,(H,21,25)(H,26,27)/b24-18+"	C1=CC=C2C(=C1)C(=C(N2)O)C\\3=NC4=CC=CC=C4/C3=N\\OCC(=O)NCC(=O)O	KRXKMAGQYJHGLY-HKOYGPOVSA-N
DG68833	"2-[2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol"	135436306	CHEMBL1974723; NSC717859; NSC-717859	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717859	.	.	.	.	483.5	C24H25N3O8	169	797	1	35	6	10	7	"InChI=1S/C24H25N3O8/c28-11-16-20(29)21(30)22(31)24(35-16)33-9-10-34-27-18-13-6-2-4-8-15(13)25-19(18)17-12-5-1-3-7-14(12)26-23(17)32/h1-8,16,20-22,24,26,28-32H,9-11H2/b27-18+"	C1=CC=C2C(=C1)C(=C(N2)O)C\\3=NC4=CC=CC=C4/C3=N\\OCCOC5C(C(C(C(O5)CO)O)O)O	RYUOAQSYRBKSLR-OVVQPSECSA-N
DG68834	"2-[2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethoxy]oxane-3,4,5-triol"	135436307	NSC717860; CHEMBL1966837; NSC-717860	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717860	.	.	.	.	453.4	C23H23N3O7	149	750	1.1	33	5	9	6	"InChI=1S/C23H23N3O7/c27-16-11-32-23(21(29)20(16)28)31-9-10-33-26-18-13-6-2-4-8-15(13)24-19(18)17-12-5-1-3-7-14(12)25-22(17)30/h1-8,16,20-21,23,25,27-30H,9-11H2/b26-18+"	C1C(C(C(C(O1)OCCO/N=C/2\\C3=CC=CC=C3N=C2C4=C(NC5=CC=CC=C54)O)O)O)O	HSEAEWLMKXVJFL-NLRVBDNBSA-N
DG68835	"(NZ)-N-[(2E)-1-(10,10-dioxophenoxathiin-2-yl)-2-hydroxyiminoethylidene]hydroxylamine"	135436312	NSC718149; CHEMBL1997621; NSC-718149	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718149	.	.	.	.	318.31	C14H10N2O5S	117	568	2.2	22	2	7	2	"InChI=1S/C14H10N2O5S/c17-15-8-10(16-18)9-5-6-12-14(7-9)22(19,20)13-4-2-1-3-11(13)21-12/h1-8,17-18H/b15-8+,16-10+"	C1=CC=C2C(=C1)OC3=C(S2(=O)=O)C=C(C=C3)/C(=N/O)/C=N/O	YPSPHLYMTABLQK-FAYHMPLTSA-N
DG68836	(NZ)-N-[(2E)-2-hydroxyimino-1-phenoxathiin-2-ylethylidene]hydroxylamine	135436313	NSC718152; CHEMBL1976637; NSC-718152	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718152	.	.	.	.	286.31	C14H10N2O3S	99.7	402	3.5	20	2	6	2	"InChI=1S/C14H10N2O3S/c17-15-8-10(16-18)9-5-6-12-14(7-9)20-13-4-2-1-3-11(13)19-12/h1-8,17-18H/b15-8+,16-10+"	C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)/C(=N/O)/C=N/O	UNNQAUVGPPNVGU-FAYHMPLTSA-N
DG68837	3-[(E)-carbazol-9-yliminomethyl]-4-hydroxy-5-methoxybenzaldehyde	135436314	NSC718153; CHEMBL1969764; NSC-718153	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718153	.	.	.	.	344.4	C21H16N2O3	63.8	503	4.1	26	1	4	4	"InChI=1S/C21H16N2O3/c1-26-20-11-14(13-24)10-15(21(20)25)12-22-23-18-8-4-2-6-16(18)17-7-3-5-9-19(17)23/h2-13,25H,1H3/b22-12+"	COC1=CC(=CC(=C1O)/C=N/N2C3=CC=CC=C3C4=CC=CC=C42)C=O	KIKPQMZIAKJFFJ-WSDLNYQXSA-N
DG68838	"3-[(E)-carbazol-9-yliminomethyl]-4,5-dihydroxybenzaldehyde"	135436315	NSC718154; CHEMBL1998488; NSC-718154	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718154	.	.	.	.	330.3	C20H14N2O3	74.8	489	3.8	25	2	4	3	"InChI=1S/C20H14N2O3/c23-12-13-9-14(20(25)19(24)10-13)11-21-22-17-7-3-1-5-15(17)16-6-2-4-8-18(16)22/h1-12,24-25H/b21-11+"	C1=CC=C2C(=C1)C3=CC=CC=C3N2/N=C/C4=C(C(=CC(=C4)C=O)O)O	DQRJHMWQZDAXNI-SRZZPIQSSA-N
DG68839	4-[(Z)-hydroxyiminomethyl]-2-[(E)-hydroxyiminomethyl]-6-methoxyphenol	135436316	CHEMBL1991684; NSC718157; NSC-718157	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718157	.	.	.	.	210.19	C9H10N2O4	94.6	244	1	15	3	6	3	"InChI=1S/C9H10N2O4/c1-15-8-3-6(4-10-13)2-7(5-11-14)9(8)12/h2-5,12-14H,1H3/b10-4-,11-5+"	COC1=CC(=CC(=C1O)/C=N/O)/C=N\\O	FZBDFWKLMTWREJ-WIZYTBDYSA-N
DG68840	"5-[(Z)-methoxyiminomethyl]-3-[(E)-methoxyiminomethyl]benzene-1,2-diol"	135436318	NSC718159; CHEMBL1975852; NSC-718159	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718159	.	.	.	.	224.21	C10H12N2O4	83.6	257	1.3	16	2	6	4	"InChI=1S/C10H12N2O4/c1-15-11-5-7-3-8(6-12-16-2)10(14)9(13)4-7/h3-6,13-14H,1-2H3/b11-5-,12-6+"	CO/N=C\\C1=CC(=C(C(=C1)O)O)/C=N/OC	QGQUOAQUIIXRDC-JTAXDKCCSA-N
DG68841	4-[(Z)-(dimethylhydrazinylidene)methyl]-2-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol	135436319	NSC718162; CHEMBL1971152; NSC-718162	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718162	.	.	.	.	264.32	C13H20N4O2	60.7	318	1.9	19	1	6	5	"InChI=1S/C13H20N4O2/c1-16(2)14-8-10-6-11(9-15-17(3)4)13(18)12(7-10)19-5/h6-9,18H,1-5H3/b14-8-,15-9+"	CN(C)/N=C\\C1=CC(=C(C(=C1)OC)O)/C=N/N(C)C	ZKGVHKYIQOMBMU-DJJIWSAGSA-N
DG68842	4-hydroxy-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-5-methoxybenzaldehyde	135436320	NSC718163; CHEMBL1969463; NSC-718163	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718163	.	.	.	.	298.29	C16H14N2O4	91.5	413	2	22	2	6	5	"InChI=1S/C16H14N2O4/c1-22-15-7-11(10-19)6-13(16(15)21)9-18-17-8-12-4-2-3-5-14(12)20/h2-10,20-21H,1H3/b17-8+,18-9+"	COC1=CC(=CC(=C1O)/C=N/N=C/C2=CC=CC=C2O)C=O	GBLQIGUCTQLCQG-YPOGWSRFSA-N
DG68843	"(2Z)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one"	135436322	CHEMBL1964856; NSC718637; NSC-718637	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718637	.	.	.	.	435.3	C18H19BrN4O2S	99.4	662	4.4	26	1	5	2	"InChI=1S/C18H19BrN4O2S/c1-10-17(25)23(12-5-3-2-4-6-12)18(26-10)22-21-15-13-9-11(19)7-8-14(13)20-16(15)24/h7-10,12H,2-6H2,1H3,(H,20,21,24)/b22-18-"	CC1C(=O)N(/C(=N/N=C\\2/C3=C(C=CC(=C3)Br)NC2=O)/S1)C4CCCCC4	DKOSLWXQYNFCNG-PYCFMQQDSA-N
DG68844	4-hydroxy-3-methoxy-5-[(E)-pyridin-2-yliminomethyl]benzaldehyde	135436331	NSC720187; CHEMBL1981114; NSC-720187	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720187	.	.	.	.	256.26	C14H12N2O3	71.8	322	1.6	19	1	5	4	"InChI=1S/C14H12N2O3/c1-19-12-7-10(9-17)6-11(14(12)18)8-16-13-4-2-3-5-15-13/h2-9,18H,1H3/b16-8+"	COC1=CC(=CC(=C1O)/C=N/C2=CC=CC=N2)C=O	AOXBXHYJXVTLFR-LZYBPNLTSA-N
DG68845	2-ethoxy-4-[(Z)-hydroxyiminomethyl]-6-[(E)-hydroxyiminomethyl]phenol	135436332	NSC720188; CHEMBL1977124; NSC-720188	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720188	.	.	.	.	224.21	C10H12N2O4	94.6	257	1.3	16	3	6	4	"InChI=1S/C10H12N2O4/c1-2-16-9-4-7(5-11-14)3-8(6-12-15)10(9)13/h3-6,13-15H,2H2,1H3/b11-5-,12-6+"	CCOC1=CC(=CC(=C1O)/C=N/O)/C=N\\O	DGUAXKOTIXOEKG-JTAXDKCCSA-N
DG68846	(3Z)-3-[bis[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one	135436345	NSC720446; CHEMBL1966663; NSC-720446	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720446	.	.	.	.	411.5	C25H25N5O	60.3	654	4.8	31	1	5	5	"InChI=1S/C25H25N5O/c1-29(2)19-13-9-17(10-14-19)23(18-11-15-20(16-12-18)30(3)4)27-28-24-21-7-5-6-8-22(21)26-25(24)31/h5-16H,1-4H3,(H,26,28,31)"	CN(C)C1=CC=C(C=C1)C(=N/N=C\\2/C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)N(C)C	HPJHBOFIXACTSU-UHFFFAOYSA-N
DG68847	Ethyl 3-(4-chloro-5-methyl-2-sulfidophenylamino)-3-(4-dimethylamin o-1-pyridinio)-2-(4-nitrobenzoyl)prop-2-enoate	135436356	NSC720637; CHEMBL1975130; NSC-720637; Ethyl 3-(4-chloro-5-methyl-2-sulfidophenylamino)-3-(4-dimethylamin o-1-pyridinio)-2-(4-nitrobenzoyl)prop-2-enoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720637	.	.	.	.	605.1	C26H25ClN4O7S2	155	1070	5.9	40	1	10	9	"InChI=1S/C26H25ClN4O7S2/c1-5-38-26(33)23(24(32)17-6-8-19(9-7-17)31(34)35)25(30-12-10-18(11-13-30)29(3)4)28-40(36,37)22-14-16(2)20(27)15-21(22)39/h6-15H,5H2,1-4H3,(H-,28,32,33,39)"	CCOC(=O)/C(=C(\\C1=CC=C(C=C1)[N+](=O)[O-])/O)/C(=N/S(=O)(=O)C2=C(C=C(C(=C2)C)Cl)[S-])/[N+]3=CC=C(C=C3)N(C)C	YGHIETLTWPKGEX-UHFFFAOYSA-N
DG68848	"4-Piperidinopyrazolo[3,4-d]pyrimidin-6-thion"	135436397	"NSC722946; CHEMBL1974257; NSC-722946; 4-Piperidinopyrazolo[3,4-d]pyrimidin-6-thion"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722946	.	.	.	.	235.31	C10H13N5S	88.4	323	0.8	16	2	2	1	"InChI=1S/C10H13N5S/c16-10-12-8-7(6-11-14-8)9(13-10)15-4-2-1-3-5-15/h6H,1-5H2,(H2,11,12,13,14,16)"	C1CCN(CC1)C2=NC(=S)NC3=C2C=NN3	BOOXRPKWYUWMCD-UHFFFAOYSA-N
DG68849	"4-Thienylidenamino-1-methylpyrazolo[3,4-d]pyrimidin-6-thiol"	135436399	"NSC722949; NSC-722949; 4-Thienylidenamino-1-methylpyrazolo[3,4-d]pyrimidin-6-thiol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722949	.	.	.	.	275.4	C11H9N5S2	113	506	1.1	18	1	4	2	"InChI=1S/C11H9N5S2/c1-16-10-8(6-13-16)9(14-11(17)15-10)12-5-7-3-2-4-18-7/h2-6H,1H3,(H,14,15,17)/b12-5+"	CN1C2=NC(=S)NC(=C2C=N1)/N=C/C3=CC=CS3	FJWKBSBKQJLICI-LFYBBSHMSA-N
DG68850	"4-(p-Methylphenyl)aminopyrazolo[3,4-d]pyrimidin-6-thion"	135436400	"NSC722957; CHEMBL2001059; NSC-722957; 4-(p-methylphenyl)aminopyrazolo[3,4-d]pyrimidin-6-thion"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	722957	.	.	.	.	257.32	C12H11N5S	97.2	362	1.7	18	3	2	2	"InChI=1S/C12H11N5S/c1-7-2-4-8(5-3-7)14-10-9-6-13-17-11(9)16-12(18)15-10/h2-6H,1H3,(H3,13,14,15,16,17,18)"	CC1=CC=C(C=C1)NC2=NC(=S)NC3=C2C=NN3	FAVKEMCYNMBODG-UHFFFAOYSA-N
DG68851	"4-Theinylmethylidenhydrazino-6-thioxopyrazolo[3,4-d]pyrimidi ne"	135436412	"NSC723121; CHEMBL1973249; NSC-723121; 4-Theinylmethylidenhydrazino-6-thioxopyrazolo[3,4-d]pyrimidi ne"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723121	.	.	.	.	364.5	C14H16N6O2S2	164	445	.	24	3	6	5	"InChI=1S/C10H8N6S2.C4H8O2/c17-10-13-8(7-5-12-16-9(7)14-10)15-11-4-6-2-1-3-18-6;1-3-6-4(2)5/h1-5H,(H3,12,13,14,15,16,17);3H2,1-2H3/b11-4+;"	CCOC(=O)C.C1=CSC(=C1)/C=N/NC2=NC(=S)NC3=C2C=NN3	HFDBOTYQOJCRRX-SODSUQDMSA-N
DG68852	"4-Furylmethylidenehydrazino-6-thioxopyrazolo[3,4-d]pyrimidin e"	135436414	"NSC723122; NSC-723122; 4-Furylmethylidenehydrazino-6-thioxopyrazolo[3,4-d]pyrimidin e"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723122	.	.	.	.	260.279	C10H8N6OS	123	398	0.8	18	3	4	3	"InChI=1S/C10H8N6OS/c18-10-13-8(7-5-12-16-9(7)14-10)15-11-4-6-2-1-3-17-6/h1-5H,(H3,12,13,14,15,16,18)/b11-4+"	C1=COC(=C1)/C=N/NC2=NC(=S)NC3=C2C=NN3	WFBAGSYMAKLSDU-NYYWCZLTSA-N
DG68853	"4-(p-Methoxyphenyl)methylidenehydrazino-6-thioxopyrazolo[3,4-d]pyrimidine"	135436418	"NSC723125; CHEMBL2006543; NSC-723125; 4-(p-methoxyphenyl)methylidenehydrazino-6-thioxopyrazolo[3,4 -d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723125	.	.	.	.	300.34	C13H12N6OS	115	545	1.2	21	3	5	4	"InChI=1S/C13H12N6OS/c1-20-9-4-2-8(3-5-9)6-14-18-11-10-7-15-19-12(10)17-13(21)16-11/h2-7H,1H3,(H3,15,16,17,18,19,21)/b14-6+"	COC1=CC=C(C=C1)/C=N/NC2=C3C=NNC3=NC(=S)N2	NLYLVALOXALOIP-MKMNVTDBSA-N
DG68854	2-amino-9-[[4-(hydroxymethyl)phenyl]methyl]-1H-purin-6-one	135436427	NSC723383; SCHEMBL3021041; CHEMBL1991141; NSC-723383	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723383	.	.	.	.	271.27	C13H13N5O2	106	406	-0.4	20	3	4	3	"InChI=1S/C13H13N5O2/c14-13-16-11-10(12(20)17-13)15-7-18(11)5-8-1-3-9(6-19)4-2-8/h1-4,7,19H,5-6H2,(H3,14,16,17,20)"	C1=CC(=CC=C1CN2C=NC3=C2N=C(NC3=O)N)CO	VBWJYWGKQIJFDH-UHFFFAOYSA-N
DG68855	5-(Methyloxime)-3-(4-methylphenyl)-isoxazole	135436429	NSC723507; NSC-723507; 5-(methyloxime)-3-(4-methylphenyl)-isoxazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	723507	.	.	.	.	202.21	C11H10N2O2	58.6	225	2.4	15	1	4	2	"InChI=1S/C11H10N2O2/c1-8-2-4-9(5-3-8)11-6-10(7-12-14)15-13-11/h2-7,14H,1H3/b12-7+"	CC1=CC=C(C=C1)C2=NOC(=C2)/C=N/O	GFPHOIZCZHKQIZ-KPKJPENVSA-N
DG68856	"(3,5-Dichloro-2-hydroxy-benzylidene)-hydrazide"	135436441	"CHEMBL1993725; NSC724061; NSC-724061; (3,5-dichloro-2-hydroxy-benzylidene)-hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724061	.	.	.	.	524.2	C18H14Cl4N4O4S	149	621	4.6	31	4	7	8	"InChI=1S/C18H14Cl4N4O4S/c19-11-1-9(17(29)13(21)3-11)5-23-25-15(27)7-31-8-16(28)26-24-6-10-2-12(20)4-14(22)18(10)30/h1-6,29-30H,7-8H2,(H,25,27)(H,26,28)/b23-5-,24-6-"	C1=C(C=C(C(=C1/C=N\\NC(=O)CSCC(=O)N/N=C\\C2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl	PAUJVTJURUVVRG-XIBKSJEISA-N
DG68857	"(2,4-Trihydroxy-benzylidene-hydrazinocarbonylmethylsulfany l)acetic acid (2,3,4-trihydroxy-benzylidene)hydrazide"	135436442	"CHEMBL2000108; NSC724062; NSC-724062; (2,4-trihydroxy-benzylidene-hydrazinocarbonylmethylsulfany l)acetic acid (2,3,4-trihydroxy-benzylidene)hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724062	.	.	.	.	450.4	C18H18N4O8S	230	613	0.7	31	8	11	8	"InChI=1S/C18H18N4O8S/c23-11-3-1-9(15(27)17(11)29)5-19-21-13(25)7-31-8-14(26)22-20-6-10-2-4-12(24)18(30)16(10)28/h1-6,23-24,27-30H,7-8H2,(H,21,25)(H,22,26)/b19-5-,20-6-"	C1=CC(=C(C(=C1/C=N\\NC(=O)CSCC(=O)N/N=C\\C2=C(C(=C(C=C2)O)O)O)O)O)O	JZCWAIMSRVCZJM-FDWQPRGYSA-N
DG68858	"(3,5-Dibromo-2-hydroxy-benzylidene)-hydrazide"	135436443	"CHEMBL1999456; NSC724065; NSC-724065; (3,5-dibromo-2-hydroxy-benzylidene)-hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724065	.	.	.	.	702	C18H14Br4N4O4S	149	621	4.9	31	4	7	8	"InChI=1S/C18H14Br4N4O4S/c19-11-1-9(17(29)13(21)3-11)5-23-25-15(27)7-31-8-16(28)26-24-6-10-2-12(20)4-14(22)18(10)30/h1-6,29-30H,7-8H2,(H,25,27)(H,26,28)/b23-5-,24-6-"	C1=C(C=C(C(=C1/C=N\\NC(=O)CSCC(=O)N/N=C\\C2=C(C(=CC(=C2)Br)Br)O)O)Br)Br	OTZZLFLYYBVBKH-XIBKSJEISA-N
DG68859	4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-hydroxybenzylidenethio)]benzenesulfonamide	135436457	NSC724875; NSC-724875; 4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-hydroxybenzylidenethio)]benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	724875	.	.	.	.	493	C20H17ClN4O5S2	184	772	5.1	32	3	9	6	"InChI=1S/C20H17ClN4O5S2/c1-12-10-19(32(22,29)30)18(11-17(12)21)31-20(13-2-8-16(26)9-3-13)24-23-14-4-6-15(7-5-14)25(27)28/h2-11,23,26H,1H3,(H2,22,29,30)/b24-20-"	CC1=CC(=C(C=C1Cl)S/C(=N\\NC2=CC=C(C=C2)[N+](=O)[O-])/C3=CC=C(C=C3)O)S(=O)(=O)N	QPZQXOBQZDHODX-GFMRDNFCSA-N
DG68860	Orange Astrazon R	135436499	"Orange Astrazon R; Nabor Orange R; Genacryl Orange R; Sumiacryl Orange R; Aizen Cathilon Orange RH; Aizen Cathilon Orange RL; C.I. BASIC ORANGE 22; 4657-00-5; C.I. 48040; SCHEMBL7002749; NSC4434; NSC-4434; ZINC4365585; MCULE-4429239010; 3H-Indolium,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)ethenyl]-, chloride; 3H-Indolium,3,3-trimethyl-2-[2-(1-methyl-2-phenylindol-3-yl)vinyl]-, chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4434	.	.	.	.	391.5	C28H27N2+	7.9	683	6	30	0	0	3	"InChI=1S/C28H27N2/c1-28(2)23-15-9-11-17-25(23)29(3)26(28)19-18-22-21-14-8-10-16-24(21)30(4)27(22)20-12-6-5-7-13-20/h5-19H,1-4H3/q+1"	CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5)C)C	VEIQMIFGPISKCW-UHFFFAOYSA-N
DG68861	Sodium;5-[(6-methoxyquinolin-8-yl)diazenyl]quinolin-8-ol	135436503	NSC5896; NSC-5896	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5896	.	.	.	.	353.3	C19H14N4NaO2+	80	474	.	26	1	6	3	"InChI=1S/C19H14N4O2.Na/c1-25-13-10-12-4-2-8-20-18(12)16(11-13)23-22-15-6-7-17(24)19-14(15)5-3-9-21-19;/h2-11,24H,1H3;/q;+1"	COC1=CC(=C2C(=C1)C=CC=N2)N=NC3=C4C=CC=NC4=C(C=C3)O.[Na+]	UBGDLDLAWJFFMH-UHFFFAOYSA-N
DG68862	Gallamine Blue	135436514	"Gallamine Blue; Celrestine Blue B; C.I. Mordant Blue 45; 1563-02-6; C.I. 51045; Gallamin blue; C.I. Mordant Blue 45 (8CI); mordant blue 45; NSC 8643; CHEBI:88296; NSC8643; NSC-8643; CI 51045; 1-carbamoyl-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium chloride; Phenoxazin-5-ium, 1-(aminocarbonyl)-7-(dimethylamino)-3,4-dihydroxy-, chloride (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8643	.	.	.	.	335.74	C15H14ClN3O4	103	620	.	23	2	7	2	"InChI=1S/C15H13N3O4.ClH/c1-18(2)7-3-4-9-11(5-7)22-14-12(17-9)8(15(16)21)6-10(19)13(14)20;/h3-6,17H,1-2H3,(H2,16,21);1H"	CN(C)C1=CC2=C(C=C1)NC3=C(O2)C(=O)C(=O)C=C3C(=O)[NH3+].[Cl-]	KNNFENIIZCXFDO-UHFFFAOYSA-N
DG68863	Diazine Black	135436529	"Diazine Black; 4443-99-6; Janus Black; C.I. Basic Black 2; Basic Black 2; Janus Black I; Janus Black R; Sumiacryl Grey B; Sumiacryl Black G; Sevron Charcoal MF; C.I. Basic Black-2; Aizen Cathilon Grey BLH; Nippon Kagaku Janus Black; C.I. Basic Black 2, chloride; SCHEMBL11152983; DTXSID60432444; NSC9610; NSC-9610; AKOS024386631; MCULE-1957749695; C.I. 11825; Q16838387; 4-[[8-(diethylamino)-10-phenylphenazin-10-ium-2-yl]diazenyl]phenol;chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9610	.	.	.	.	484	C28H26ClN5O	65	655	.	35	1	6	6	"InChI=1S/C28H25N5O.ClH/c1-3-32(4-2)23-13-17-26-28(19-23)33(22-8-6-5-7-9-22)27-18-21(12-16-25(27)29-26)31-30-20-10-14-24(34)15-11-20;/h5-19H,3-4H2,1-2H3;1H"	CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N=NC4=CC=C(C=C4)O)N=C2C=C1)C5=CC=CC=C5.[Cl-]	VJDDAARZIFHSQY-UHFFFAOYSA-N
DG68864	D&C Orange No. 4	135436533	"Colacid Orange; Persian Orange; Fenazo Orange; Curol Orange; Solar Orange; Acid orange ii; Mandarin G; Tropaeolin OOO; Acid Leather Orange G; Amacid Orange Y; Orange Y; Kiton Orange II; Orange Extra N; Orange Extra P; Orange YA; Orange YZ; Perca Orange GR; Bucacid Orange A; Lake Orange A; Lurazol Orange E; Nubilon Orange R; Persian Orange X; Special Orange H; Wool Orange A; .beta.-Naphthol Orange; .beta.-Naphthyl orange; Erio Orange II; Java Orange II; Orange IIC; Orange IIP; Orange IIS; Orange IISM; Acilan Orange II; Diacid Orange II; Brasilan Orange A; Calcocid Orange Y; Orange Toner GRT; Betanaphthol Orange; Hidacid Orange II; Special Orange GR; Tropaeolin OOO 2; Airedale Orange II; Hispacid Orange AF; Neklacid Orange II; Peeracid Orange II; Vondacid Orange II; Persian Orange Lake; Pure Orange II S; Certiqual Orange II; Lutetia Orange 3JR; Sanyo Gum Orange A; Tertracid Orange II; Leather Orange Extra; Naphthalene Orange G; Lake Orange II YS; Naphtocard Orange II; Orange II for Lakes; Atul Acid Orange II; D&C Orange 4; Rifa Acid Orange II; Nitto Acid Orange II; 2-Naphthol Orange II; Kayaku Acid Orange II; Mitsui Acid Orange II; Orange No. 205; D&C Orange No. 4; Symulon Acid Orange II; Takaoka Acid Orange II; Tropoclin 0002 (Indicator); 11550 Orange; Tangarine Lake X-917; Symuler Orange Lake 43; Acid Leather Orange PRW; Kromon Lake Orange Toner; No. 177 Orange Lake; Acid Leather Orange Extra; Naphthalene Lake Orange G; D and C Orange No. 4; Tropaeolin 000 No. 2; Orange II Special For Lacquer; C.I. 15510; 1-p-Sulfophenylazo-2-naphthol, monosodium salt; p-[(2-Hydroxy-1-naphthyl)azo]benzenesulfonic acid, monosodium salt; p-(2-Hydroxy-1-naphthylazo)benzenesulfonic acid sodium salt; NSC9853; NSC-9853; NSC101008; NSC-101008"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9853	.	.	.	.	351.3	C16H12N2NaO4S+	108	523	.	24	2	6	3	"InChI=1S/C16H12N2O4S.Na/c19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22;/h1-10,19H,(H,20,21,22);/q;+1"	C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)O)O.[Na+]	CQPFMGBJSMSXLP-UHFFFAOYSA-N
DG68865	Cytallene	135436546	"Cytallene; 114987-19-8; 4-amino-1-(4-hydroxybuta-1,2-dienyl)pyrimidin-2-one; NSC626923; 131489-68-4; 1-(4'-Hydroxy-1',2'-butadienyl)cytosine; N1-(4-Hydroxy-1,2-butadien-1-yl)-cytosine (cytallene); (+/-)-Cytallene; CHEMBL29288; DTXSID80150911; NSC-626923; NCI60_008519; (R/S)-1-(4'-Hydroxy-1',2'-butadienyl)cytosine; 1-(4-hydroxybuta-1,2-dienyl)-4-imino-pyrimidin-2-one; 1-(4-Hydroxy-1,2-butadienyl)-4-imino-3,4-dihydro-2(1H)-pyrimidinone; 2(1H)-Pyrimidinone, 4-amino-1-(4-hydroxy-1,2-butadienyl)-, (+-)-; 2(1H)-Pyrimidinone, 4-amino-1-(4-hydroxy-1,2-butadienyl)-, (+/-)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626923	.	.	.	.	179.18	C8H9N3O2	82.5	326	-0.3	13	2	3	2	"InChI=1S/C8H9N3O2/c9-7-3-5-11(8(13)10-7)4-1-2-6-12/h1-5,12H,6H2,(H-,9,10,13)/b2-1 ,11-4+"	C1=C/[N+](=C\\C=CCO)/C(=NC1=N)[O-]	GHTIVOZHSNRAAW-JZXVYGCJSA-N
DG68866	"5-amino-4-(1,3-benzothiazol-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrol-3-one"	135438224	"ZINC1871032; NSC732962; AKOS001109624; MCULE-2512984950; NSC-732962; Z55544449; 457639-00-8; 5-amino-4-(1,3-benzothiazol-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-dihydro-3H-pyrrol-3-one; 5-amino-4-(1,3-benzothiazol-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732962	.	.	.	.	409.8	C18H11ClF3N3OS	88.4	644	4.5	27	2	7	2	"InChI=1S/C18H11ClF3N3OS/c19-10-6-5-9(18(20,21)22)7-12(10)25-8-13(26)15(16(25)23)17-24-11-3-1-2-4-14(11)27-17/h1-7,23,26H,8H2"	C1C(=C(C(=N)N1C2=C(C=CC(=C2)C(F)(F)F)Cl)C3=NC4=CC=CC=C4S3)O	FDPGCFKDYJYMLQ-UHFFFAOYSA-N
DG68867	6-Chloro-2-(4-nitrophenyl)quinazolin-4-ol	135439371	NSC626522; CHEMBL1981759; NSC-626522; NCI60_008376; 6-chloro-2-(4-nitrophenyl)quinazolin-4-ol; 6-Chloro-2-(4-(hydroxy(oxido)amino)phenyl)-4-quinazolinol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626522	.	.	.	.	301.68	C14H8ClN3O3	87.3	469	2.8	21	1	4	1	"InChI=1S/C14H8ClN3O3/c15-9-3-6-12-11(7-9)14(19)17-13(16-12)8-1-4-10(5-2-8)18(20)21/h1-7H,(H,16,17,19)"	C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Cl)C(=O)N2)[N+](=O)[O-]	ABGDPSCFQOVRGG-UHFFFAOYSA-N
DG68868	"2-(6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)-1,2,4,5,6,7-hexahydro-3H-indazol-3-one"	135439521	"NSC680676; 210417-30-4; 2-(6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)-1,2,4,5,6,7-hexahydro-3H-indazol-3-one; CHEMBL1965511; AKOS005102261; ZINC100925548; MCULE-8045704606; NSC-680676; 2-(4-Hydroxy-6-phenyl-2-pyrimidinyl)-1,2,4,5,6,7-hexahydro-3H-indazol-3-one; NCI60_028757; 8W-0235; 2-(4-hydroxy-6-phenyl-pyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one; 2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one; 2-[(3-Oxo-2,3,4,5,6,7-hexahydro-1H-indazole)-2-yl]-6-phenylpyrimidine-4(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680676	.	.	.	.	308.33	C17H16N4O2	73.8	641	2.1	23	2	4	2	"InChI=1S/C17H16N4O2/c22-15-10-14(11-6-2-1-3-7-11)18-17(19-15)21-16(23)12-8-4-5-9-13(12)20-21/h1-3,6-7,10,20H,4-5,8-9H2,(H,18,19,22)"	C1CCC2=C(C1)C(=O)N(N2)C3=NC(=CC(=O)N3)C4=CC=CC=C4	OOUVWNHMMDXNIM-UHFFFAOYSA-N
DG68869	1-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine;nitric acid	135439995	NSC644582; MLS002701547; CHEMBL1973514; NSC-644582	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644582	.	.	.	.	340.34	C16H16N6O3	145	411	.	25	4	5	4	"InChI=1S/C16H15N5.HNO3/c17-16(20-13-6-2-1-3-7-13)21-19-11-12-10-18-15-9-5-4-8-14(12)15;2-1(3)4/h1-11,18H,(H3,17,20,21);(H,2,3,4)/b19-11+;"	C1=CC=C(C=C1)N=C(N)N/N=C/C2=CNC3=CC=CC=C32.[N+](=O)(O)[O-]	UXEDIXOEIRVKCV-YLFUTEQJSA-N
DG68870	"2-Acetylimidazo[4,5-b]pyridin 4 isopropyl 3 thiosemicarbazone"	135440007	"CHEMBL1986070; NSC674097; NSC-674097; 2-Acetylimidazo[4,5-b]pyridin 4 isopropyl 3 thiosemicarbazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674097	.	.	.	.	276.36	C12H16N6S	110	356	1.8	19	3	4	3	"InChI=1S/C12H16N6S/c1-7(2)14-12(19)18-17-8(3)10-15-9-5-4-6-13-11(9)16-10/h4-7H,1-3H3,(H,13,15,16)(H2,14,18,19)/b17-8+"	CC(C)NC(=S)N/N=C(\\C)/C1=NC2=C(N1)C=CC=N2	WRTPYTYTESWSSN-CAOOACKPSA-N
DG68871	"2-Acetylimidazo[4,5-b]pyridin 4 sec-butyl 3thiosemi-carbazone"	135440008	"NSC-674098; CHEMBL1966823; NSC674098; 2-Acetylimidazo[4,5-b]pyridin 4 sec-butyl 3thiosemi-carbazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674098	.	.	.	.	290.39	C13H18N6S	110	372	2.3	20	3	4	4	"InChI=1S/C13H18N6S/c1-4-8(2)15-13(20)19-18-9(3)11-16-10-6-5-7-14-12(10)17-11/h5-8H,4H2,1-3H3,(H,14,16,17)(H2,15,19,20)/b18-9+"	CCC(C)NC(=S)N/N=C(\\C)/C1=NC2=C(N1)C=CC=N2	XDDMAJWSRGXELH-GIJQJNRQSA-N
DG68872	"2-Acetylimidazo[4,5-b]pyridin 4 tert-butyl 3 thiosemicarbazone"	135440009	"NSC-674099; CHEMBL2002496; NSC674099; 2-Acetylimidazo[4,5-b]pyridin 4 tert-butyl 3 thiosemicarbazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674099	.	.	.	.	290.39	C13H18N6S	110	389	2	20	3	4	3	"InChI=1S/C13H18N6S/c1-8(18-19-12(20)17-13(2,3)4)10-15-9-6-5-7-14-11(9)16-10/h5-7H,1-4H3,(H,14,15,16)(H2,17,19,20)/b18-8+"	C/C(=N\\NC(=S)NC(C)(C)C)/C1=NC2=C(N1)C=CC=N2	LJYGCLUAMXHVDR-QGMBQPNBSA-N
DG68873	"2-Acetylimidazo[4,4 dimethyl 3 thio-semicarbazone"	135440010	"CHEMBL2005203; NSC674100; NSC-674100; 2-Acetylimidazo[4,4 dimethyl 3 thio-semicarbazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674100	.	.	.	.	262.34	C11H14N6S	101	342	1.2	18	2	4	2	"InChI=1S/C11H14N6S/c1-7(15-16-11(18)17(2)3)9-13-8-5-4-6-12-10(8)14-9/h4-6H,1-3H3,(H,16,18)(H,12,13,14)/b15-7+"	C/C(=N\\NC(=S)N(C)C)/C1=NC2=C(N1)C=CC=N2	GSZQIRJQWTXFTJ-VIZOYTHASA-N
DG68874	"2-Acetylimidazo[4,5-b]pyridin 4 cyclohexyl 3 thio-semicarbazone"	135440011	"NSC-674101; CHEMBL1984594; NSC674101; 2-Acetylimidazo[4,5-b]pyridin 4 cyclohexyl 3 thio-semicarbazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674101	.	.	.	.	316.4	C15H20N6S	110	420	2.8	22	3	4	3	"InChI=1S/C15H20N6S/c1-10(13-18-12-8-5-9-16-14(12)19-13)20-21-15(22)17-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7H2,1H3,(H,16,18,19)(H2,17,21,22)/b20-10+"	C/C(=N\\NC(=S)NC1CCCCC1)/C2=NC3=C(N2)C=CC=N3	WIUDNGIKNDNAJW-KEBDBYFISA-N
DG68875	"2-Acetylimidazp[4,5-b]pyridin 4 phenyl 3 thiosemicarbazone"	135440012	"NSC-674102; CHEMBL1987455; NSC674102; 2-Acetylimidazp[4,5-b]pyridin 4 phenyl 3 thiosemicarbazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674102	.	.	.	.	310.4	C15H14N6S	110	420	2.5	22	3	4	3	"InChI=1S/C15H14N6S/c1-10(13-18-12-8-5-9-16-14(12)19-13)20-21-15(22)17-11-6-3-2-4-7-11/h2-9H,1H3,(H,16,18,19)(H2,17,21,22)/b20-10+"	C/C(=N\\NC(=S)NC1=CC=CC=C1)/C2=NC3=C(N2)C=CC=N3	PBGGTLOIOCUYCJ-KEBDBYFISA-N
DG68876	"2-Acetylimidazo[4,5-b]pyridin 4 p-hydroxyphenyl 3 thiosemicarbazone"	135440013	"CHEMBL1981346; NSC674105; NSC-674105; 2-Acetylimidazo[4,5-b]pyridin 4 p-hydroxyphenyl 3 thiosemicarbazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674105	.	.	.	.	340.4	C16H16N6OS	119	466	2.5	24	3	5	4	"InChI=1S/C16H16N6OS/c1-10(14-19-13-4-3-9-17-15(13)20-14)21-22-16(24)18-11-5-7-12(23-2)8-6-11/h3-9H,1-2H3,(H,17,19,20)(H2,18,22,24)/b21-10+"	C/C(=N\\NC(=S)NC1=CC=C(C=C1)OC)/C2=NC3=C(N2)C=CC=N3	ZLWNSOIMKLRUJQ-UFFVCSGVSA-N
DG68877	"2-Acetylimidazo[4,5-b]pyridin 4 tolyl 3 thiosemicarbazone"	135440014	"CHEMBL1966568; NSC674106; ZINC104312767; NSC-674106; 2-Acetylimidazo[4,5-b]pyridin 4 tolyl 3 thiosemicarbazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674106	.	.	.	.	324.4	C16H16N6S	110	446	2.9	23	3	4	3	"InChI=1S/C16H16N6S/c1-10-5-7-12(8-6-10)18-16(23)22-21-11(2)14-19-13-4-3-9-17-15(13)20-14/h3-9H,1-2H3,(H,17,19,20)(H2,18,22,23)/b21-11+"	CC1=CC=C(C=C1)NC(=S)N/N=C(\\C)/C2=NC3=C(N2)C=CC=N3	SLRJSHIDXDIPJC-SRZZPIQSSA-N
DG68878	"2-Acetylimidazo[4,5-b]pyridin 4 pyrrlidino 3 thiosemicarbazone"	135440015	"CHEMBL1988391; NSC674108; NSC-674108; 2-Acetylimidazo[4,5-b]pyridin 4 pyrrlidino 3 thiosemicarbazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674108	.	.	.	.	288.37	C13H16N6S	101	392	1.7	20	2	4	2	"InChI=1S/C13H16N6S/c1-9(17-18-13(20)19-7-2-3-8-19)11-15-10-5-4-6-14-12(10)16-11/h4-6H,2-3,7-8H2,1H3,(H,18,20)(H,14,15,16)/b17-9+"	C/C(=N\\NC(=S)N1CCCC1)/C2=NC3=C(N2)C=CC=N3	UTMJFMJUBBDLKQ-RQZCQDPDSA-N
DG68879	"5-bromo-3H-triazolo[4,5-d]pyrimidin-7-ol"	135440019	"NSC680827; CHEMBL2007058; NSC-680827; NCI60_028839; 5-bromo-3H-triazolo[4,5-d]pyrimidin-7-ol; 5-Bromo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680827	.	.	.	.	216	C4H2BrN5O	83	229	0.2	11	2	4	0	"InChI=1S/C4H2BrN5O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H2,6,7,8,9,10,11)"	C12=NNN=C1N=C(NC2=O)Br	VNZFGKZJYJRQGA-UHFFFAOYSA-N
DG68880	2-(4-Chloroanilino)-9H-purin-6-ol	135440031	NSC685838; CHEMBL101143; N-(4-Chlorophenyl)guanine; SCHEMBL16146400; SCHEMBL19690815; BDBM50229860; 2-(4-Chloroanilino)-9H-purin-6-ol; NSC-685838; NCI60_030881	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685838	.	.	.	.	261.67	C11H8ClN5O	82.2	366	1.5	18	3	3	2	"InChI=1S/C11H8ClN5O/c12-6-1-3-7(4-2-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)"	C1=CC(=CC=C1NC2=NC3=C(C(=O)N2)NC=N3)Cl	AUUBSEVTDIKILH-UHFFFAOYSA-N
DG68881	"4,4'-(1E,1'E)-2,2'-(1-Phenyl-1H-pyrazole-3,5-diyl)bis(ethene-2,1-diyl)bis(2-methoxyphenol)"	135440402	"4,4'-(1E,1'E)-2,2'-(1-Phenyl-1H-pyrazole-3,5-diyl)bis(ethene-2,1-diyl)bis(2-methoxyphenol); 828911-76-8; CNB-001; 1019110-87-2; UNII-TS3085B7P8; 4,4'-((1-Phenyl-1H-pyrazole-3,5-diyl)bis(ethene-2,1-diyl))bis(2-methoxyphenol); CHEMBL258741; TS3085B7P8; 4-[(E)-2-[5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-phenylpyrazol-3-yl]ethenyl]-2-methoxyphenol; 4,4'-(1E,1'E)-2,2'-(1-Phenyl-1H-pyrazole-3,5-diyl)-bis(ethene-2,1-diyl)bis(2-methoxyphenol); N-phenylpyrazole curcumin; SCHEMBL12995841; DTXSID60732491; AMY15788; BDBM50391730; MFCD17019190; NSC757929; ZINC29123138; AKOS015949244; CS-W001650; NSC-757929; Phenol, 4,4'-((1-phenyl-1H-pyrazole-3,5-diyl)di-(1E)-2,1-ethenediyl)bis(2-methoxy-; DS-20189; Phenol, 4-(2-(3-(2-(4-hydroxy-3-methoxyphenyl)ethenyl)-1-phenyl-1H-pyrazol-5-yl)ethenyl)-2-methoxy-; S11433; J-513952; Q27290224; 4,4'-[(1-Phenyl-1H-pyrazole-3,5-diyl)diethene-2,1-diyl]bis(2-methoxyphenol); (4Z)-4-[(2Z)-2-{5-[(E)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene}ethylidene]-2-methoxycyclohexa-2,5-dien-1-one; 4,4'-((1E,1'E)-(1-phenyl-1H-pyrazole-3,5-diyl)bis(ethene-2,1-diyl))bis(2-methoxyphenol); 4-[(E)-2-[5-[(E)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]-1-phenyl-pyrazol-3-yl]vinyl]-2-methoxy-phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757929	.	.	.	.	440.5	C27H24N2O4	76.7	650	5.7	33	2	5	7	"InChI=1S/C27H24N2O4/c1-32-26-16-19(10-14-24(26)30)8-12-21-18-23(29(28-21)22-6-4-3-5-7-22)13-9-20-11-15-25(31)27(17-20)33-2/h3-18,30-31H,1-2H3/b12-8+,13-9+"	COC1=C(C=CC(=C1)/C=C/C2=CC(=NN2C3=CC=CC=C3)/C=C/C4=CC(=C(C=C4)O)OC)O	QUOCIDQIFWYHLB-QHKWOANTSA-N
DG68882	4-[[(2S)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino]-3-[7-methyl-5-(4-morpholinyl)-1H-benzimidazol-2-yl]-2(1H)-pyridinone	135440466	"BMS-536924; 468740-43-4; BMS536924; BMS 536924; UNII-40E3AZG1MX; 4-[[(2S)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino]-3-[7-methyl-5-(4-morpholinyl)-1H-benzimidazol-2-yl]-2(1H)-pyridinone; 40E3AZG1MX; CHEMBL401930; Insulin-like Growth Factor-1 Receptor Inhibitor; CS-0117; HY-10262; (S)-4-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)-3-(4-methyl-6-morpholino-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one; 4-[[(2S)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino]-3-(4-methyl-6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one; MLS006011171; SCHEMBL4132577; SCHEMBL15974144; BDBM27879; CHEBI:91454; BCP02116; EX-A4566; ZINC6718468; 2278AH; NSC761760; s1012; AKOS024458339; AKOS025149514; ZINC140935730; CCG-269544; NSC-761760; NCGC00346460-02; NCGC00346460-04; NCGC00346460-05; AC-32997; AS-78828; SMR004702940; A2238; SW218124-2; X5078; D94990; BMS-536924, >=98% (HPLC); J-514217; BRD-K34581968-001-01-2; Q27163296; Q27258319; 4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(4-morpholinyl)-1,3-dihydrobenzimidazol-2-ylidene]-2-pyridinone; 4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-1,3-benzodiazol-2-yl]-1,2-dihydropyridin-2-one; 4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[7-methyl-5-(morpholin-4-yl)-1H-1,3-benzodiazol-2-yl]-1,2-dihydropyridin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761760	.	.	.	.	480	C25H26ClN5O3	103	801	2.7	34	4	6	6	"InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1"	CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5	ZWVZORIKUNOTCS-OAQYLSRUSA-N
DG68883	(4Z)-2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one	135440628	NSC704857; CHEMBL1977897; NSC-704857	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704857	.	.	.	.	335.4	C17H13N5OS	110	588	2.6	24	3	4	4	"InChI=1S/C17H13N5OS/c23-16-15(8-12-4-3-7-24-12)20-17(21-16)22-19-10-11-9-18-14-6-2-1-5-13(11)14/h1-10,18H,(H2,20,21,22,23)/b15-8-,19-10+"	C1=CC=C2C(=C1)C(=CN2)/C=N/NC3=N/C(=C\\C4=CC=CS4)/C(=O)N3	XSXCFOJWXALSHG-LXNAZNJWSA-N
DG68884	"2,2-bis(5-hydroxy-3-iminoimidazo[2,1-c][1,2,4]triazol-6-yl)-3H-inden-1-one"	135441703	NSC382936; CHEMBL1982014; ZINC16942981; AKOS024423398; MCULE-7954567251; NSC-382936; NCI60_003666	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382936	.	.	.	.	402.3	C17H10N10O3	190	841	2.2	30	4	9	2	"InChI=1S/C17H10N10O3/c18-13-22-24-15-20-8(11(29)26(13)15)17(5-6-3-1-2-4-7(6)10(17)28)9-12(30)27-14(19)23-25-16(27)21-9/h1-4,18-19,29-30H,5H2"	C1C2=CC=CC=C2C(=O)C1(C3=C(N4C(=N)N=NC4=N3)O)C5=C(N6C(=N)N=NC6=N5)O	CRBOZMVVDSFMRP-UHFFFAOYSA-N
DG68885	4-[2-(4-Methylphenyl)hydrazinyl]benzotriazol-5-one	135441716	"MLS000757168; NSC400938; 4-[2-(4-methylphenyl)hydrazinyl]benzotriazol-5-one; Hit compound, 9; NSC-400938; 7467-28-9; SMR000529027; CHEMBL1568474; CHEMBL1765372; CHEMBL4296841; SCHEMBL13711464; BDBM52831; cid_5385177; DTXSID60419634; ZINC13130011; ZINC100368299; DS-005228; 4-[(4-methylphenyl)hydrazo]-5-benzotriazolone; 4-[N''-(p-tolyl)hydrazino]benzotriazol-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400938	.	.	.	.	253.26	C13H11N5O	86.5	329	2.8	19	2	5	2	"InChI=1S/C13H11N5O/c1-8-2-4-9(5-3-8)14-16-13-11(19)7-6-10-12(13)17-18-15-10/h2-7,19H,1H3,(H,15,17,18)"	CC1=CC=C(C=C1)N=NC2=C(C=CC3=NNN=C32)O	LYJIGLUCSHCFJC-UHFFFAOYSA-N
DG68886	Iodinin	135441735	"Iodinin; 68-81-5; Iodinine; 5,10-dioxidophenazine-5,10-diium-1,6-diol; UNII-G1239096EO; 1,6-Phenazinediol 5,10-dioxide; 1,10-dioxide; 1, 5,10-dioxide; 5,6-dihydroxy-10-oxidophenazin-10-ium-1-one; SCHEMBL3583519; CHEMBL1987496; ZINC5701048; NSC402910; G1239096EO; NSC-402910; NCI60_003788; Q27278504"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	402910	.	.	.	.	244.2	C12H8N2O4	91.4	287	1	18	2	4	0	"InChI=1S/C12H8N2O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H"	C1=CC2=C(C(=C1)O)[N+](=C3C=CC=C(C3=[N+]2[O-])O)[O-]	NBMOVCYIGUDQJE-UHFFFAOYSA-N
DG68887	"5-Methyl-1,5-dihydro-4H-imidazo[4,5-d]pyridazine-4-thione"	135441811	"NSC690586; 5-Methyl-1,5-dihydro-4H-imidazo[4,5-d]pyridazine-4-thione; CHEMBL1989004; AKOS015905712; NSC-690586; NCI60_032510; 5-methyl-1H-imidazo[4,5-d]pyridazine-4-thione; 6-methyl-3,6-dihydro-imidazo[4,5-d]pyridazine-7-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690586	.	.	.	.	166.21	C6H6N4S	76.4	215	0.3	11	1	3	0	"InChI=1S/C6H6N4S/c1-10-6(11)5-4(2-9-10)7-3-8-5/h2-3H,1H3,(H,7,8)"	CN1C(=S)C2=C(C=N1)NC=N2	GYOIUZHILFZIEB-UHFFFAOYSA-N
DG68888	(2E)-2-[(allylcarbamothioylamino)methylene]-N-(o-tolyl)-3-oxo-butanamide	135442827	NSC658300; NSC-658300; (2E)-2-[(allylcarbamothioylamino)methylene]-N-(o-tolyl)-3-oxo-butanamide; (2Z)-2-Acetyl-3-{[(allylamino)carbonothioyl]amino}-N-(2-methylphenyl)acrylamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658300	.	.	.	.	317.4	C16H19N3O2S	106	486	3.1	22	3	3	5	"InChI=1S/C16H19N3O2S/c1-4-9-17-16(22)18-10-13(12(3)20)15(21)19-14-8-6-5-7-11(14)2/h4-8,10,20H,1,9H2,2-3H3,(H,17,22)(H,19,21)/b13-12-,18-10+"	CC1=CC=CC=C1NC(=O)/C(=C(/C)\\O)/C=N/C(=S)NCC=C	DAGYGOMDBNEGEL-IXPUNULSSA-N
DG68889	2-Acetyl-N-(2-methylphenyl)-3-((3-pyridinylcarbothioyl)amino)acrylamide	135442828	NSC658316; NSC-658316; 2-Acetyl-N-(2-methylphenyl)-3-((3-pyridinylcarbothioyl)amino)acrylamide; (2Z)-N-(o-tolyl)-3-oxo-2-[(pyridine-3-carbothioylamino)methylene]butanamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658316	.	.	.	.	339.4	C18H17N3O2S	107	530	3.2	24	2	4	4	"InChI=1S/C18H17N3O2S/c1-12-6-3-4-8-16(12)21-17(23)15(13(2)22)11-20-18(24)14-7-5-9-19-10-14/h3-11,22H,1-2H3,(H,21,23)/b15-13-,20-11 "	CC1=CC=CC=C1NC(=O)/C(=C(/C)\\O)/C=NC(=S)C2=CN=CC=C2	DGVYNUAJLZWTIN-WQZXYWPWSA-N
DG68890	"5-((1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione"	135443018	"53215-61-5; MLS002695020; CHEMBL1714005; 5-((1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione; 5-(1H-indol-3-ylmethylidene)-2-thioxohexahydropyrimidine-4,6-dione; NSC90736; NCIOpen2_006367; SCHEMBL1519871; DTXSID00418868; HMS3089P12; BDBM50400724; CCG-50685; NSC-90736; STK325057; AKOS001440967; MCULE-7211998825; SMR001560933; SR-01000640045-1; F0777-1493; 5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione; 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1H-pyrimidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90736	.	.	.	.	271.3	C13H9N3O2S	106	536	0.7	19	3	4	1	"InChI=1S/C13H9N3O2S/c17-11-9(12(18)16-13(19)15-11)5-7-6-14-10-4-2-1-3-8(7)10/h1-6H,(H3,15,16,17,18,19)/b7-5+"	C1=CC=C2C(=C1)/C(=C/C3=C(NC(=S)NC3=O)O)/C=N2	IMNZTFWQMZGNCI-FNORWQNLSA-N
DG68891	2-(1-(quinolin-2(1H)-ylidenehydrazono)ethyl)phenol	135443554	NSC168466; 59034-56-9; 2-(1-(quinolin-2(1H)-ylidenehydrazono)ethyl)phenol; NSC-168466; 2-[(E)-C-methyl-N-(quinolin-2-ylamino)carbonimidoyl]phenol; MLS002702053; CHEMBL1892026; SCHEMBL14075818; DTXSID20420923; CCG-38249; NCI168466; ZINC84459882; AKOS000987288; MLS-0463044.0001; SR-01000065365; SR-01000065365-1; 2-[(E)-C-methyl-N-(2-quinolylamino)carbonimidoyl]phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	168466	.	.	.	.	277.32	C17H15N3O	57.5	371	4	21	2	4	3	"InChI=1S/C17H15N3O/c1-12(14-7-3-5-9-16(14)21)19-20-17-11-10-13-6-2-4-8-15(13)18-17/h2-11,21H,1H3,(H,18,20)/b19-12+"	C/C(=N\\NC1=NC2=CC=CC=C2C=C1)/C3=CC=CC=C3O	IZHPDVLGPQNUBP-XDHOZWIPSA-N
DG68892	2-[(E)-[methyl(2-quinolyl)hydrazono]methyl]phenol	135443555	NSC168467; 21119-48-2; MLS003106697; NSC-168467; CHEMBL1986820; DTXSID30419368; ZINC7996476; CCG-38265; NCI168467; 2-[(E)-[methyl(2-quinolyl)hydrazono]methyl]phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	168467	.	.	.	.	277.32	C17H15N3O	48.7	360	3.9	21	1	4	3	"InChI=1S/C17H15N3O/c1-20(18-12-14-7-3-5-9-16(14)21)17-11-10-13-6-2-4-8-15(13)19-17/h2-12,21H,1H3/b18-12+"	CN(C1=NC2=CC=CC=C2C=C1)/N=C/C3=CC=CC=C3O	CFYWZXMOVDVVDV-LDADJPATSA-N
DG68893	2-nitro-6-{(E)-[2-(quinolin-2-yl)hydrazinylidene]methyl}phenol	135443556	NSC168468; 2-nitro-6-{(E)-[2-(quinolin-2-yl)hydrazinylidene]methyl}phenol; MLS002702054; NSC-168468; SCHEMBL4783644; SCHEMBL4783648; CHEMBL1980150; SCHEMBL12786490; SCHEMBL14291702; CCG-37166; NCI168468; STK022601; ZINC13703997; AKOS005379398; 2-nitro-6-[(E)-(2-quinolylhydrazono)methyl]phenol; 2-nitro-6-((quinolin-2(1H)-ylidenehydrazono)methyl)phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	168468	.	.	.	.	308.29	C16H12N4O3	103	440	4.2	23	2	6	3	"InChI=1S/C16H12N4O3/c21-16-12(5-3-7-14(16)20(22)23)10-17-19-15-9-8-11-4-1-2-6-13(11)18-15/h1-10,21H,(H,18,19)/b17-10+"	C1=CC=C2C(=C1)C=CC(=N2)N/N=C/C3=C(C(=CC=C3)[N+](=O)[O-])O	RLGCDBYMJUKHRX-LICLKQGHSA-N
DG68894	"L-Aspartic acid, monohydrate"	135443580	"NSC173552; L-Aspartic acid, monohydrate; NSC173555; NSC-173552; NSC-173555; 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid; DS-012769; 5864-24-4; 6113-76-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	173552	.	.	.	.	425.4	C20H19N5O6	183	748	0	31	6	8	8	"InChI=1S/C20H19N5O6/c21-20-24-14-6-1-10(7-13(14)18(29)25-20)9-22-12-4-2-11(3-5-12)17(28)23-15(19(30)31)8-16(26)27/h1-7,15,22H,8-9H2,(H,23,28)(H,26,27)(H,30,31)(H3,21,24,25,29)"	C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NCC2=CC3=C(C=C2)N=C(NC3=O)N	NYOFFAWISINROH-UHFFFAOYSA-N
DG68895	Tolypromycin Y	135443592	Tolypromycin Y; Tolypomycin Y; NSC177383; NSC-177383; 23412-26-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	177383	.	.	.	.	822.9	C43H54N2O14	237	1810	3.5	59	5	15	4	"InChI=1S/C43H54N2O14/c1-17-14-29(47)24-15-25(24)36(50)19(3)35(49)20(4)39(58-23(7)46)18(2)30(55-9)12-13-56-43(8)41(53)34-32-27(44-26-10-11-31(48)57-22(26)6)16-28(45-42(17)54)38(52)33(32)37(51)21(5)40(34)59-43/h12-14,16,18-20,22,24-26,30-31,35-36,39,48-51H,10-11,15H2,1-9H3,(H,45,54)/b13-12+,17-14-,44-27 "	CC1C(/C=C/OC2(C(=O)C3=C(O2)C(=C(C4=C3C(=NC5CCC(OC5C)O)C=C(C4=O)NC(=O)/C(=C\\C(=O)C6CC6C(C(C(C(C1OC(=O)C)C)O)C)O)/C)O)C)C)OC	RYCBEGMWBUYSAD-NLAQSMJJSA-N
DG68896	1-[(E)-(5-hydroxypyridin-2-yl)methylideneamino]-3-phenylthiourea	135443615	"MLS003106949; 51984-40-8; NSC185060; Hydrazinecarbothioamide, 2-[(5-hydroxy-2-pyridinyl)methylene]-N-phenyl-; DTXSID00420986; ZINC56665588; NSC-185060"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	185060	.	.	.	.	272.33	C13H12N4OS	102	318	3	19	3	4	3	"InChI=1S/C13H12N4OS/c18-12-7-6-11(14-9-12)8-15-17-13(19)16-10-4-2-1-3-5-10/h1-9,18H,(H2,16,17,19)/b15-8+"	C1=CC=C(C=C1)NC(=S)N/N=C/C2=NC=C(C=C2)O	GFLMEFXWINCBTI-OVCLIPMQSA-N
DG68897	"Hydrazinecarbothioamide, 2-[(5-hydroxy-2-pyridinyl)methylene]-N-(3-pyridinyl)-"	135443616	"NSC185065; MLS002702076; CHEMBL1992786; CCG-35219; ZINC56645616; NSC-185065; 5-Hydroxy-2-pyridinecarboxaldehyde, 4-(3-pyridinyl)thiosemicarbazone; Hydrazinecarbothioamide, 2-[(5-hydroxy-2-pyridinyl)methylene]-N-(3-pyridinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	185065	.	.	.	.	273.32	C12H11N5OS	115	325	1.9	19	3	5	3	"InChI=1S/C12H11N5OS/c18-11-4-3-9(14-8-11)7-15-17-12(19)16-10-2-1-5-13-6-10/h1-8,18H,(H2,16,17,19)/b15-7+"	C1=CC(=CN=C1)NC(=S)N/N=C/C2=NC=C(C=C2)O	AIOMOJQIZSJNIB-VIZOYTHASA-N
DG68898	"Streptovaricinoic acid, 21-acetate"	135443622	"Streptovaricin B; Streptovaricin complex, fraction b; Streptovaricinoic acid, 21-acetate; NSC156215; NSC189794; 11031-82-6; NSC-156215; NSC-189794; 6,3-dioxino[4,5,6-uv][4]benzazacyclo tricosine-20-carboxylic acid, 7,21-bis(acetyloxy)- 5,10,11,16,17,18,19,20,21,22,23,24-dodecahydro- 17,19,23,24,27-pentahydroxy-4,8,12,16,18,22,24,26- octamethyl-5,11-dioxo-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	156215	.	.	.	.	811.9	C42H53NO15	245	1790	3	58	6	15	6	"InChI=1S/C42H53NO15/c1-17-13-12-14-18(2)40(51)43-30-20(4)37(57-24(8)44)26-27(34(30)49)33(48)22(6)36-28(26)35(55-16-56-36)19(3)15-42(10,53)39(50)23(7)38(58-25(9)45)29(41(52)54-11)32(47)21(5)31(17)46/h12-15,17,21,23,29,31-32,38-39,46-47,49-50,53H,16H2,1-11H3,(H,43,51)/b13-12-,18-14 ,19-15 /t17-,21-,23+,29-,31-,32-,38-,39-,42-/m1/s1"	C[C@@H]1/C=C\\C=C(C(=O)NC2=C(C(=C3C(=C2O)C(=O)C(=C4C3=C(C(=C[C@@]([C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]1O)C)O)C(=O)OC)OC(=O)C)C)O)(C)O)C)OCO4)C)OC(=O)C)C)C	IGDMPTXQUGESNO-HVYWSWGMSA-N
DG68899	8-Azainosine	135443893	"8-Azainosine; MLS002920050; 34698-34-5; NSC130279; SCHEMBL6671924; DTXSID20956176; NSC150038; NSC-130279; NSC-150038; SMR001797648; A828064; 7H-v-Triazolo[4, 3,6-dihydro-3-.beta.-D-ribofuranosyl-; 3-Pentofuranosyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol; 3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2H-triazolo[4,5-d]pyrimidin-7-one; 7H-1,3-Triazolo[4,5-d]pyrimidin-7-one, 3,4-dihydro-3-.beta.-D-ribofuranosyl-; 3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	130279	.	.	.	.	269.21	C9H11N5O5	142	407	-2.5	19	4	8	2	"InChI=1S/C9H11N5O5/c15-1-3-5(16)6(17)9(19-3)14-7-4(12-13-14)8(18)11-2-10-7/h2-3,5-6,9,15-17H,1H2,(H,10,11,18)"	C1=NC2=C(C(=O)N1)N=NN2C3C(C(C(O3)CO)O)O	NNCMCLOTZNUFJG-UHFFFAOYSA-N
DG68900	"N-((4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinyl)carbonyl)glutamic acid"	135444429	"NSC673107; CHEMBL1964751; NSC-673107; NCI60_025886; 2-[[4-(4-hydroxy-2,6-dimethyl-pyrimidin-5-yl)piperazine-1-carbonyl]amino]pentanedioic acid; N-((4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinyl)carbonyl)glutamic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673107	.	.	.	.	381.38	C16H23N5O6	152	708	-1.4	27	4	8	6	"InChI=1S/C16H23N5O6/c1-9-13(14(24)18-10(2)17-9)20-5-7-21(8-6-20)16(27)19-11(15(25)26)3-4-12(22)23/h11H,3-8H2,1-2H3,(H,19,27)(H,22,23)(H,25,26)(H,17,18,24)"	CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)C(=O)NC(CCC(=O)O)C(=O)O	IRWDTEWCJYOAMI-UHFFFAOYSA-N
DG68901	Folcidin	135444779	"Folcidin; Folsaure; 65165-92-6; CID 5317366; NSC3073; Vitamin B11; 32108-06-8; Usaf cb-13; PteGlu;Vitamin M;Pteroyl-L-glutamic acid; 2-[[4-[(2-amino-4-hydroxypteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid; Kyselina listova; NSC 3073; 2-[(4-([(2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino)phenyl)formamido]pentanedioic acid; SR-01000319474; Foluite; Aspol; NSC-3073; L-Glutamic acid, N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-; NCGC00142391-03; PGA; pteroylglu-tamic acid; l-Pteroylglutamic acid; UPCMLD-DP091; SCHEMBL3877; Mission prenatal (Salt/Mix); CHEMBL277040; UPCMLD-DP091:001; Liver Lactobacillus, casei factor; ALBB-025933; BCP15305; MFCD00066830; STK368550; STL301837; AKOS000668649; AKOS001287554; AKOS016368368; AKOS017259271; AKOS024278945; MCULE-1208976029; MCULE-3509109723; 2-[(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}phenyl)carbonylamino]pent anedioic acid; NCGC00094942-01; NCGC00094942-02; NCGC00142391-04; NCGC00161646-01; NCGC00186648-01; NCI60_002628; SY010866; FT-0600598; FT-0626515; FT-0668796; FT-0668797; FT-0774559; SR-01000469458; SR-05000001792; SR-01000319474-1; SR-01000319474-2; SR-01000469458-1; SR-05000001792-1; WLN: T66 BN DN GN JNJ CZ EQ H1MR DVMYVQ2VQ; 4-Pteridinol,3-dicarboxypropyl)carbamoyl)anilino)methyl)-; Glutamic acid,5-b)pyrazin-6-yl)methyl]amino]benzoyl]-, L; L-Glutamic acid,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-; 2-(4-(2-Amino-4-hydroxypteridine-6-ylmethylamino)benzoylamino)glutaric acid; N-(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoyl)glutamic acid; 2-(4-(((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)amino)benzamido)pentanedioic acid; Glutamic acid, N-(p-(((2-amino-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-, (L)-; glutamic acid, N-[4-[[(2-amino-4-hydroxy-6-pteridinyl)methyl]amino]benzoyl]-, dihydrate; Glutamic acid, N-[p-([(2-amino-4-hydroxy-6-pteridinyl)methyl]amino)benzoyl]-; N-(4-([(2-Amino-4-hydroxy-6-pteridinyl)methyl]amino)benzoyl)-L-glutamic acid #; N-[(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}phenyl)carbonyl]glutamic acid; N-[(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]glutamic acid; N-[4-[[(2-Amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-l-glutamic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3073	.	.	.	.	441.4	C19H19N7O6	209	767	-1.1	32	6	10	9	"InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)"	C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N	OVBPIULPVIDEAO-UHFFFAOYSA-N
DG68902	"5-Amino-4-benzothiazol-2-yl-1-(3-methoxy-phenyl)-1,2-dihydro-pyrrol-3-one"	135444827	"CHEMBL1576321; HMS2599J23; ZINC132194; NSC732786; ZINC00132194; 5-Amino-4-benzothiazol-2-yl-1-(3-methoxy-phenyl)-1,2-dihydro-pyrrol-3-one; AKOS001690536; CCG-115145; MCULE-6260049246; NSC-732786"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732786	.	.	.	.	337.4	C18H15N3O2S	97.7	538	2.9	24	2	5	3	"InChI=1S/C18H15N3O2S/c1-23-12-6-4-5-11(9-12)21-10-14(22)16(17(21)19)18-20-13-7-2-3-8-15(13)24-18/h2-9,19,22H,10H2,1H3"	COC1=CC=CC(=C1)N2CC(=C(C2=N)C3=NC4=CC=CC=C4S3)O	PPXFTXQJLUISRH-UHFFFAOYSA-N
DG68903	9-Amino-5-imino-5H-benzo[a]phenoxazine acetate salt	135445693	"Cresyl violet acetate; 10510-54-0; 9-Amino-5-imino-5H-benzo[a]phenoxazine acetate salt; MFCD00013151; Cresyl echt violet; C16H11N3O.C2H4O2; 6314AF; NSC752338; NSC-752338; Cresyl Violet acetate, Technical grade.; 9-imino-9H-benzo[a]phenoxazin-5-amine acetate; H11939; Cresyl Violet acetate, certified by the Biological Stain Commission; Cresyl Violet acetate, certified by the Biological Stain Commission, Dye content 75 %"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752338	.	.	.	.	321.3	C18H15N3O3	109	565	.	24	3	6	0	"InChI=1S/C16H11N3O.C2H4O2/c17-9-5-6-13-14(7-9)20-15-8-12(18)10-3-1-2-4-11(10)16(15)19-13;1-2(3)4/h1-8,17H,18H2;1H3,(H,3,4)"	CC(=O)O.C1=CC=C2C(=C1)C(=CC3=C2N=C4C=CC(=N)C=C4O3)N	ORIKHDNZZCTIAD-UHFFFAOYSA-N
DG68904	Salicylidene salicylhydrazide	135445765	"Salicylidene salicylhydrazide; 3232-36-8; Salicylidene salicylhydrazone; Chel 180; Salicylic acid, salicylidenehydrazide; Salicyl N-salicylidenehydrazide; N-Salicylidene-N'-salicylhydrazide; N-Salicylidene-N-salicyloylhydrazine; N-Salicylidene-N'-salicyloyl hydrazide; N'-Salicylidenesalicylic acid hydrazide; CHEMBL354261; NSC692002; Salicylaldehyde2-Hydroxybenzoylhydrazone; 2-Hydroxy-N'-[(E)-(2-hydroxyphenyl)methylidene]benzohydrazide; NSC 87864; SCS; salicylic salicylidenehydrazide; Salicylaldehyde salicyloylhydrazone; SR-01000106382; 2-hydroxy-N-[(E)-(2-hydroxyphenyl)methyleneamino]benzamide; H2sashz; chel-180; 2-hydroxy-N'-(2-hydroxybenzylidene)benzohydrazide; 2-Hydroxybenzylidene 2-hydroxybenzhydrazide; Salicyclidene salicylhydrazide; Benzoic acid, 2-hydroxy-, 2-[(2-hydroxyphenyl)methylene]hydrazide; DTXSID6062919; Salicylaldehyde N-Salicylhydrazone; CHEBI:113550; HMS3268L17; HMS3413G15; HMS3677G15; NSC87864; BDBM50056895; MFCD00043494; NSC-87864; STK089150; ZINC13719920; N-Salicylidene-N'-salicyloylhydrazine; AKOS001017041; MCULE-7736204404; NSC-692002; salicylaldehyde 2-hydroxybenzoylhydrazone; AS-60008; B6953; AB00722972-01; SALICYLIC (2-HYDROXYBENZYLIDENE)HYDRAZIDE; J-018705; N''-(2-hydroxybenzylidene)-2-hydroxybenzohydrazide; SR-01000106382-1; SR-01000106382-2; BRD-K78496197-001-01-3; BRD-K78496197-001-02-1; Salicylidene salicylhydrazide, >=98% (HPLC), solid; 2-hydroxy-N'-[(1E)-(2-hydroxyphenyl)methylene]benzohydrazide; 2-Hydroxy-N'-[(2-hydroxyphenyl)methylidene]benzohydrazide #; 2-Hydroxy-benzoic acid [1-(2-hydroxy-phenyl)-meth-(E)-ylidene]-hydrazide; 191848-55-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87864	.	.	.	.	256.26	C14H12N2O3	81.9	333	2.7	19	3	4	3	"InChI=1S/C14H12N2O3/c17-12-7-3-1-5-10(12)9-15-16-14(19)11-6-2-4-8-13(11)18/h1-9,17-18H,(H,16,19)/b15-9+"	C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=CC=C2O)O	OMCYEZUIYGPHDJ-OQLLNIDSSA-N
DG68905	N'-((4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)((3-chlorophenyl)diazenyl)methylene)-5-chloro-2-hydroxybenzohydrazide	135446392	NSC685926; CHEMBL1984893; ZINC8665888; ZINC104316903; NSC-685926; N'-((4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)((3-chlorophenyl)diazenyl)methylene)-5-chloro-2-hydroxybenzohydrazide; N-[(Z)-[[4-[bis(2-cyanoethyl)amino]-2-methyl-phenyl]-[(E)-(3-chlorophenyl)azo]methylene]amino]-5-chloro-2-hydroxy-benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685926	.	.	.	.	548.4	C27H23Cl2N7O2	137	922	6.3	38	2	7	10	"InChI=1S/C27H23Cl2N7O2/c1-18-15-22(36(13-3-11-30)14-4-12-31)8-9-23(18)26(33-32-21-6-2-5-19(28)16-21)34-35-27(38)24-17-20(29)7-10-25(24)37/h2,5-10,15-17,37H,3-4,13-14H2,1H3,(H,35,38)/b33-32 ,34-26-"	CC1=C(C=CC(=C1)N(CCC#N)CCC#N)/C(=N/NC(=O)C2=C(C=CC(=C2)Cl)O)/N=NC3=CC(=CC=C3)Cl	SUNYWTVNZMNDGK-FMNFIABWSA-N
DG68906	"(2-sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)thiourea"	135447063	"NSC690964; CHEMBL1977335; NSC-690964; NCI60_032645; (2-sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)thiourea; N-(2-Mercapto-7H-pyrrolo[2,3-d]pyrimidin-4-yl)thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690964	.	.	.	.	225.3	C7H7N5S2	139	406	-0.7	14	4	2	1	"InChI=1S/C7H7N5S2/c8-6(13)10-5-3-1-2-9-4(3)11-7(14)12-5/h1-2H,(H5,8,9,10,11,12,13,14)"	C1=CNC2=NC(=S)NC(=C21)NC(=S)N	WFEMUIPZUVIHKA-UHFFFAOYSA-N
DG68907	4-Hydroxy-3-beta-D-ribofuranosylpyrazole-5-carboxamide	135447984	"Pyrozofurin; .beta.-Pyrazomycin; PRZF; NSC143095; 4-Hydroxy-3-.beta.-D-ribofuranosylpyrazole-5-carboxamide; 1H-Pyrazole-5-carboxamide, 4-hydroxy-3-.beta.-D-ribofuranosyl-; NSC 143095; NSC-143095; .beta.-Pyrazofurin; SCHEMBL4861; 4-Hydroxy-3-.beta.-D-ribofuranosyl-1H-pyrazole-5-carboxamide; CHEMBL2007164; SCHEMBL21392925; HMS3871G03; BCP32120; ZINC01727089; NCI60_000945; FT-0674163; Pyrazole, 4-hydroxy-5-.beta.-L-ribofuranosyl-; 3-.beta.-D-Ribofuranosyl-4-hydroxypyrazole-5-carboxamide; Pyrazomycin; NSC-143095; NSC 143095; NSC143095"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143095	.	.	.	.	259.22	C9H13N3O6	162	329	-2.2	18	6	7	3	"InChI=1S/C9H13N3O6/c10-9(17)4-6(15)3(11-12-4)8-7(16)5(14)2(1-13)18-8/h2,5,7-8,13-16H,1H2,(H2,10,17)(H,11,12)"	C(C1C(C(C(O1)C2=NNC(=C2O)C(=O)N)O)O)O	XESARGFCSKSFID-UHFFFAOYSA-N
DG68908	2-(2-imino-2H-chromen-3-yl)quinazolin-4(3H)-one	135449176	NSC684974; 2-(2-imino-2H-chromen-3-yl)quinazolin-4(3H)-one; 212207-09-5; 2-(2-IMINOCHROMEN-3-YL)-3H-QUINAZOLIN-4-ONE; Oprea1_875947; MLS000103991; IFLab1_000850; CHEMBL1416559; HMS1414G14; HMS2248O22; ZINC13776773; AKOS001599418; CCG-286453; MCULE-9570702952; NSC-684974; 2-(2-iminochromen-3-yl)quinazolin-4-ol; NCI60_030555; SMR000017410; EU-0035457; 2-(2-Imino-2H-chromen-3-yl)-4-quinazolinol; SR-01000405949; SR-01000405949-1; F0266-0650	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684974	.	.	.	.	289.29	C17H11N3O2	74.5	566	2.6	22	2	4	1	"InChI=1S/C17H11N3O2/c18-15-12(9-10-5-1-4-8-14(10)22-15)16-19-13-7-3-2-6-11(13)17(21)20-16/h1-9,18H,(H,19,20,21)"	C1=CC=C2C(=C1)C=C(C(=N)O2)C3=NC4=CC=CC=C4C(=O)N3	IOHWHJVTNWBILZ-UHFFFAOYSA-N
DG68909	"tert-Butyl 2-amino-1-benzyl-7a-methyl-5-oxo-5,7a-dihydro-1H-indole-3-carboxylate"	135450441	"NSC674196; CHEMBL1974884; SCHEMBL16026964; NSC-674196; tert-Butyl 2-amino-1-benzyl-7a-methyl-5-oxo-5,7a-dihydro-1H-indole-3-carboxylate; NCI60_026289; tert-butyl 2-amino-1-benzyl-7a-methyl-5-oxo-indole-3-carboxylate; 1-Benzyl-2-amino-5,7a-dihydro-5-oxo-7a-methyl-1H-indole-3-carboxylic acid tert-butyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674196	.	.	.	.	352.4	C21H24N2O3	73.6	705	2.9	26	2	4	5	"InChI=1S/C21H24N2O3/c1-20(2,3)26-19(25)17-16-12-15(24)10-11-21(16,4)23(18(17)22)13-14-8-6-5-7-9-14/h5-12,22,24H,13H2,1-4H3"	CC12C=CC(=CC1=C(C(=N)N2CC3=CC=CC=C3)C(=O)OC(C)(C)C)O	PYLOACCUJGLZJG-UHFFFAOYSA-N
DG68910	"tert-Butyl 2-amino-1-(methoxymethyl)-7a-methyl-5-oxo-5,7a-dihydro-1H-indole-3-carboxylate"	135450442	"NSC674201; CHEMBL2004125; NSC-674201; tert-Butyl 2-amino-1-(methoxymethyl)-7a-methyl-5-oxo-5,7a-dihydro-1H-indole-3-carboxylate; NCI60_026294; tert-butyl 2-amino-1-(methoxymethyl)-7a-methyl-5-oxo-indole-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	674201	.	.	.	.	306.36	C16H22N2O4	82.8	610	1.4	22	2	5	5	"InChI=1S/C16H22N2O4/c1-15(2,3)22-14(20)12-11-8-10(19)6-7-16(11,4)18(9-21-5)13(12)17/h6-8,17,19H,9H2,1-5H3"	CC12C=CC(=CC1=C(C(=N)N2COC)C(=O)OC(C)(C)C)O	FCOWLXWPXUZYKM-UHFFFAOYSA-N
DG68911	NSC685016	135450448	"10-[2-(2,5-Dimethylpyrrol-1-yl)phenyl]-8-hydroxy-6,7-di(propan-2-yloxy)-1,3,4-triazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13),11-pentaen-2-one; NSC685016; CHEMBL1985597; NSC-685016; NCI60_030596; [2-(2,5-dimethylpyrrol-1-yl)phenyl]-diisopropoxy-[ ]dione; 7-(2-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl)-9,10-diisopropoxy-2,7-dihydro-3H,8H-[1,2,4]triazino[6,5,4-ij]quinoline-3,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685016	.	.	.	.	486.6	C28H30N4O4	88.6	853	5.8	36	1	5	6	"InChI=1S/C28H30N4O4/c1-15(2)35-26-23-24-22(25(33)27(26)36-16(3)4)20(13-14-31(24)28(34)30-29-23)19-9-7-8-10-21(19)32-17(5)11-12-18(32)6/h7-16,20,33H,1-6H3"	CC1=CC=C(N1C2=CC=CC=C2C3C=CN4C5=C3C(=C(C(=C5N=NC4=O)OC(C)C)OC(C)C)O)C	ANXFMAOMEFFKSF-UHFFFAOYSA-N
DG68912	"2-[[2-(furan-2-carbonyl)-4-oxo-thiazolidin-3-yl]amino]-1H-pyrimidine-4,6-dione"	135450451	"NSC687813; CHEMBL1983411; NSC-687813; NCI60_031700; 2-[[2-(furan-2-carbonyl)-4-oxo-thiazolidin-3-yl]amino]-1H-pyrimidine-4,6-dione; 4,6(1H,5H)-Pyrimidinedione, 2-[[2-(2-furanylcarbonyl)-4-oxo-3-thiazolidinyl]amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687813	.	.	.	.	322.3	C12H10N4O5S	146	560	0.2	22	2	7	3	"InChI=1S/C12H10N4O5S/c17-7-4-8(18)14-12(13-7)15-16-9(19)5-22-11(16)10(20)6-2-1-3-21-6/h1-3,11H,4-5H2,(H2,13,14,15,17,18)"	C1C(=O)NC(=NN2C(SCC2=O)C(=O)C3=CC=CO3)NC1=O	IZEMAPASCCZASY-UHFFFAOYSA-N
DG68913	"3-methyl-4-methylsulfanyl-5-phenyl-6H-pyrazolo[3,4-c]pyrazole"	135450457	"NSC692021; CHEMBL2002412; 3-methyl-4-methylsulfanyl-5-phenyl-6H-pyrazolo[3,4-c]pyrazole; NSC-692021; NCI60_033044; 4-Methyl-3-(methylthio)-2-phenyl-1,2-dihydropyrazolo[3,4-c]pyrazole; Methyl 4-methyl-2-phenyl-1,2-dihydropyrazolo[3,4-c]pyrazol-3-yl sulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692021	.	.	.	.	244.32	C12H12N4S	71.8	269	3.1	17	1	3	2	"InChI=1S/C12H12N4S/c1-8-10-11(14-13-8)15-16(12(10)17-2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,14,15)"	CC1=NNC2=NN(C(=C12)SC)C3=CC=CC=C3	DQKZLNUCFPIQTM-UHFFFAOYSA-N
DG68914	(4E)-4-[(2-hydroxy-1-naphthyl)methylene]-2-methyl-oxazol-5-one	135451145	"NSC630886; CBMicro_014371; NSC-630886; NCI60_010059; SR-01000512791; SR-01000512791-1; (4E)-4-[(2-hydroxy-1-naphthyl)methylene]-2-methyl-oxazol-5-one; (4E)-4-[(2-Hydroxy-1-naphthyl)methylene]-2-methyl-1,3-oxazol-5(4H)-one; 4-[(2-Hydroxy-1-naphthyl)methylene]-2-methyl-1,3-oxazol-5(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630886	.	.	.	.	253.25	C15H11NO3	63.3	429	2.8	19	1	4	1	"InChI=1S/C15H11NO3/c1-9-16-13(15(18)19-9)8-12-11-5-3-2-4-10(11)6-7-14(12)17/h2-8,18H,1H3/b12-8-"	CC1=NC(=C(O1)O)/C=C/2\\C(=O)C=CC3=CC=CC=C32	DYJHHQVXGTWGQT-WQLSENKSSA-N
DG68915	5'-Amino-5'-deoxyguanosine	135451589	"NSC108608; 4099-84-7; 5'-Amino-5'-deoxyguanosine; NSC-108608; 6'-NH2-Guo; CHEMBL1323833; SCHEMBL13833305; DTXSID90296273; BCP31704; NCGC00096084-01; NCI60_000203; 2-amino-9-[5-(aminomethyl)-3,4-dihydroxy-oxolan-2-yl]-3H-purin-6-one; 2-amino-9-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-3H-purin-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	108608	.	.	.	.	282.26	C10H14N6O4	161	446	-2.1	20	5	7	2	"InChI=1S/C10H14N6O4/c11-1-3-5(17)6(18)9(20-3)16-2-13-4-7(16)14-10(12)15-8(4)19/h2-3,5-6,9,17-18H,1,11H2,(H3,12,14,15,19)"	C1=NC2=C(N1C3C(C(C(O3)CN)O)O)N=C(NC2=O)N	JUWYSPSHBRXOGR-UHFFFAOYSA-N
DG68916	"5-amino-4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-pyrrol-3-one"	135452249	"Oprea1_810240; NSC743272; AKOS034445455; MCULE-1356992661; NSC-743272; SR-01000027445; SR-01000027445-1; Z55430962; 325832-68-6; 5-amino-4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-pyrrol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743272	.	.	.	.	420.3	C18H18BrN3O2S	97.7	550	2.7	25	2	5	4	"InChI=1S/C18H18BrN3O2S/c19-12-5-3-11(4-6-12)14-10-25-18(21-14)16-15(23)9-22(17(16)20)8-13-2-1-7-24-13/h3-6,10,13,20,23H,1-2,7-9H2"	C1CC(OC1)CN2CC(=C(C2=N)C3=NC(=CS3)C4=CC=C(C=C4)Br)O	LLUVKQYPJCHGAO-UHFFFAOYSA-N
DG68917	"7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazo[4,5-d]triazin-4-one"	135452424	"MLS003389439; 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazo[4,5-d]triazin-4-one; 56220-51-0; SMR002049092; 4H-Imidazo[4,5-d]-v-triazin-4-one, 3,7-dihydro-7-.beta.-D-ribofuranosyl-; 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-imidazo[4,5-d]triazin-4-one; 36519-16-1; NSC158901; cid_292763; SCHEMBL6674475; CHEMBL1867000; BDBM96304; DTXSID00971625; DTXSID80303526; NSC196567; NSC-158901; NSC-196567; 4H-Imidazo[4, 3,7-dihydro-7-.beta.-D-ribofuranosyl-; 7-Pentofuranosyl-7H-imidazo[4,5-d][1,2,3]triazin-4-ol; 7-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-1H-imidazo[4,5-d]triazin-4-one; 7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-imidazo[4,5-d]triazin-4-one; 7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-imidazo[4,5-d][1,2,3]triazin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158901	.	.	.	.	269.21	C9H11N5O5	142	407	-0.6	19	4	8	2	"InChI=1S/C9H11N5O5/c15-1-3-5(16)6(17)9(19-3)14-2-10-4-7(14)11-13-12-8(4)18/h2-3,5-6,9,15-17H,1H2,(H,11,12,18)"	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=NNC2=O	LSMBOEFDMAIXTM-UHFFFAOYSA-N
DG68918	5-Bromo-3-(4-chloroanilino)indol-2-one	135452426	"57743-30-3; 5-bromo-3-(4-chloroanilino)indol-2-one; NSC201434; Maybridge1_003242; 5-BROMO-3-(4-CHLOROPHENYLIMINO)INDOLIN-2-ONE; CHEMBL2005614; HMS550L08; DTXSID40308017; MFCD00197508; STK256919; ZINC17022921; AKOS001630227; AKOS003239250; CCG-241998; MCULE-4555059107; NSC-201434; NCI60_001674; DS-008931; 5-Bromo-3-(4-chlorophenylimino)indoline-2-one; 5-Bromo-3-[(4-chlorophenyl)amino]indol-2-one; 5-bromo-3-[(4-chlorophenyl)imino]indolin-2-one; (3E)-5-bromo-3-[(4-chlorophenyl)imino]-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201434	.	.	.	.	335.58	C14H8BrClN2O	41.5	393	3.9	19	1	2	1	"InChI=1S/C14H8BrClN2O/c15-8-1-6-12-11(7-8)13(14(19)18-12)17-10-4-2-9(16)3-5-10/h1-7H,(H,17,18,19)"	C1=CC(=CC=C1N=C2C3=C(C=CC(=C3)Br)NC2=O)Cl	GTYLCWOHDGSQIQ-UHFFFAOYSA-N
DG68919	"3-(1,3-benzodioxol-5-ylimino)-5-bromo-1H-indol-2-one"	135452427	NSC201438; CHEMBL1973430; ZINC17022926; NSC-201438; NCI60_001675	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201438	.	.	.	.	345.15	C15H9BrN2O3	59.9	470	3.1	21	1	4	1	"InChI=1S/C15H9BrN2O3/c16-8-1-3-11-10(5-8)14(15(19)18-11)17-9-2-4-12-13(6-9)21-7-20-12/h1-6H,7H2,(H,17,18,19)"	C1OC2=C(O1)C=C(C=C2)N=C3C4=C(C=CC(=C4)Br)NC3=O	VJVKYOFFNJXOFG-UHFFFAOYSA-N
DG68920	"Carbonic dihydrazide,5-dibromo-2-hydroxyphenyl)methylene]-"	135452432	"NSC201628; ZINC150383776; NSC-201628; Carbonic dihydrazide,5-dibromo-2-hydroxyphenyl)methylene]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201628	.	.	.	.	613.9	C15H10Br4N4O3	106	495	4.7	26	4	5	4	"InChI=1S/C15H10Br4N4O3/c16-9-1-7(13(24)11(18)3-9)5-20-22-15(26)23-21-6-8-2-10(17)4-12(19)14(8)25/h1-6,24-25H,(H2,22,23,26)/b20-5-,21-6+"	C1=C(C=C(C(=C1/C=N/NC(=O)N/N=C\\C2=C(C(=CC(=C2)Br)Br)O)O)Br)Br	DMJYGRCLCIVOBV-BDCNUIQJSA-N
DG68921	"3H-Pyrrole-4-carboxylic acid, 2,5-diamino-3-[(4-methoxyphenyl)imino]-, ethylester"	135452461	"MLS003115762; 79823-71-5; NSC302867; CHEMBL1893797; DTXSID50316385; ZINC100367870; NSC-302867; SMR001831329; DS-010976; Ethyl 2,5-diamino-4-(4-methoxyphenyl)imino-pyrrole-3-carboxylate; 3H-Pyrrole-4-carboxylic acid, 2,5-diamino-3-[(4-methoxyphenyl)imino]-, ethylester; 3H-Pyrrole-4-carboxylic acid,5-diamino-3-[(4-methoxyphenyl)imino]-, ethylester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302867	.	.	.	.	288.3	C14H16N4O3	110	490	1.8	21	3	5	6	"InChI=1S/C14H16N4O3/c1-3-21-14(19)10-11(13(16)18-12(10)15)17-8-4-6-9(20-2)7-5-8/h4-7H,3H2,1-2H3,(H4,15,16,17,18)"	CCOC(=O)C1=C(C(=NC1=N)N)NC2=CC=C(C=C2)OC	VAYGZHQOQYZSME-UHFFFAOYSA-N
DG68922	3-(1H-benzimidazol-2-ylamino)isoindol-1-one	135452472	"MLS000757049; NSC305329; SMR000528902; 59548-37-7; 3-(1H-benzimidazol-2-ylamino)isoindol-1-one; cid_328013; CHEMBL1490060; BDBM72686; DTXSID10316624; HMS2860G05; ZINC5647206; NSC-305329; 3-(1H-benzimidazol-2-ylamino)-1-isoindolone; 2,3-Dihydro-3-[(1H-benzimidazole-2-yl)imino]-1H-isoindole-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305329	.	.	.	.	262.27	C15H10N4O	73.1	542	2.6	20	2	2	1	"InChI=1S/C15H10N4O/c20-14-10-6-2-1-5-9(10)13(18-14)19-15-16-11-7-3-4-8-12(11)17-15/h1-8,18,20H"	C1=CC2=C(NC(=C2C=C1)O)N=C3N=C4C=CC=CC4=N3	RCQLCKGWGZYBOL-UHFFFAOYSA-N
DG68923	"(3Z)-5,7-dichloro-3-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one"	135452573	NSC327697; CHEMBL2000410; ZINC5392842; CCG-35595; NSC-327697	.	.	Investigative Drug(s)	Investigative	Small molecular drug	327697	.	.	.	.	361.2	C17H14Cl2N4O	57.1	529	4	24	1	4	3	"InChI=1S/C17H14Cl2N4O/c1-23(2)12-5-3-10(4-6-12)9-20-22-16-13-7-11(18)8-14(19)15(13)21-17(16)24/h3-9H,1-2H3,(H,21,22,24)/b20-9+"	CN(C)C1=CC=C(C=C1)/C=N/N=C\\2/C3=C(C(=CC(=C3)Cl)Cl)NC2=O	JDPDRMRHHQTAMK-AWQFTUOYSA-N
DG68924	1-(2-bicyclo[2.2.1]heptanyl)-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]thiourea	135452578	MLS003170716; NSC328084; CHEMBL4527811; CCG-48669; NSC-328084; SR-01000638191-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328084	.	.	.	.	319.4	C16H21N3O2S	98	432	3	22	3	4	4	"InChI=1S/C16H21N3O2S/c1-21-14-4-2-3-12(15(14)20)9-17-19-16(22)18-13-8-10-5-6-11(13)7-10/h2-4,9-11,13,20H,5-8H2,1H3,(H2,18,19,22)/b17-9+"	COC1=CC=CC(=C1O)/C=N/NC(=S)NC2CC3CCC2C3	ZHGCJBOHOQMSQH-RQZCQDPDSA-N
DG68925	NSC329055	135452594	"2-[2-[(E)-(5-ethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-oxidanylidene-N-[3-(trifluoromethyl)phenyl]ethanamide; MLS003170740; SMR001874659; NSC329055; BDBM96302; cid_5985946; ZINC17126182; NSC-329055; 2-[[(E)-(5-ethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide; 2-[2-[(E)-(5-ethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-oxidanylidene-N-[3-(trifluoromethyl)phenyl]ethanamide; 2-[2-[(E)-(5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide; 2-[N''-[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-2-keto-N-[3-(trifluoromethyl)phenyl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329055	.	.	.	.	395.3	C18H16F3N3O4	100	571	3.3	28	3	8	5	"InChI=1S/C18H16F3N3O4/c1-2-28-14-8-3-5-11(15(14)25)10-22-24-17(27)16(26)23-13-7-4-6-12(9-13)18(19,20)21/h3-10,25H,2H2,1H3,(H,23,26)(H,24,27)/b22-10+"	CCOC1=CC=CC(=C1O)/C=N/NC(=O)C(=O)NC2=CC=CC(=C2)C(F)(F)F	NNZVOPPZPAAXRN-LSHDLFTRSA-N
DG68926	N-(4-fluorophenyl)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-2-oxoacetamide	135452595	MLS003170744; NSC329060; ZINC17126185; AKOS003222116; NSC-329060; SR-01000212888; SR-01000212888-1; N-(4-fluorophenyl)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-2-oxoacetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329060	.	.	.	.	301.27	C15H12FN3O3	90.8	422	2.2	22	3	5	3	"InChI=1S/C15H12FN3O3/c16-11-5-7-12(8-6-11)18-14(21)15(22)19-17-9-10-3-1-2-4-13(10)20/h1-9,20H,(H,18,21)(H,19,22)/b17-9+"	C1=CC=C(C(=C1)/C=N/NC(=O)C(=O)NC2=CC=C(C=C2)F)O	QLSHZGQJRNOEGU-RQZCQDPDSA-N
DG68927	"2-(2,3-dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide"	135452596	NSC329063; NSC-329063	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329063	.	.	.	.	326.4	C18H18N2O2S	87	429	3.4	23	2	4	5	"InChI=1S/C18H18N2O2S/c21-16-8-4-2-6-14(16)11-19-20-18(22)12-23-17-10-9-13-5-1-3-7-15(13)17/h1-8,11,17,21H,9-10,12H2,(H,20,22)/b19-11+"	C1CC2=CC=CC=C2C1SCC(=O)N/N=C/C3=CC=CC=C3O	RCABVSNSNNHAIS-YBFXNURJSA-N
DG68928	"(3Z)-5,7-dichloro-3-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one"	135452600	CHEMBL1997285; NSC329278; NSC-329278	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329278	.	.	.	.	378.2	C17H13Cl2N3O3	72.3	557	3.8	25	1	5	4	"InChI=1S/C17H13Cl2N3O3/c1-24-11-3-4-14(25-2)9(5-11)8-20-22-16-12-6-10(18)7-13(19)15(12)21-17(16)23/h3-8H,1-2H3,(H,21,22,23)/b20-8+"	COC1=CC(=C(C=C1)OC)/C=N/N=C\\2/C3=C(C(=CC(=C3)Cl)Cl)NC2=O	XOSPQIUARCHGCG-DNTJNYDQSA-N
DG68929	"2-(2-(2,4-Dimethylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-ethoxyphenyl)acetamide"	135452644	"NSC634412; CHEMBL1999855; NSC-634412; 2-(2-(2,4-Dimethylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-ethoxyphenyl)acetamide; NCI60_011436; 2-[2-(2,4-dimethylanilino)-4-oxo-thiazol-5-yl]-N-(4-ethoxyphenyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634412	.	.	.	.	397.5	C21H23N3O3S	105	589	3.8	28	2	5	6	"InChI=1S/C21H23N3O3S/c1-4-27-16-8-6-15(7-9-16)22-19(25)12-18-20(26)24-21(28-18)23-17-10-5-13(2)11-14(17)3/h5-11,18H,4,12H2,1-3H3,(H,22,25)(H,23,24,26)"	CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NC(=NC3=C(C=C(C=C3)C)C)S2	OZBCLCBZGFTEGI-UHFFFAOYSA-N
DG68930	"2,6-Bis(benzylamino)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile"	135453114	NSC734407; NSC-734407	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734407	.	.	.	.	431.5	C27H21N5O	105	642	6.3	33	3	6	7	"InChI=1S/C27H21N5O/c28-15-23-25(21-11-13-22(33)14-12-21)24(16-29)27(31-18-20-9-5-2-6-10-20)32-26(23)30-17-19-7-3-1-4-8-19/h1-14,33H,17-18H2,(H2,30,31,32)"	C1=CC=C(C=C1)CNC2=C(C(=C(C(=N2)NCC3=CC=CC=C3)C#N)C4=CC=C(C=C4)O)C#N	JVPMXDXWDCXZEY-UHFFFAOYSA-N
DG68931	5-Hydroxypicolinaldehyde thiosemicarbazone	135453292	"5-HP; 5-Hydroxypicolinaldehyde thiosemicarbazone; 5-Hydroxy-2-formylpyridine thiosemicarbazone; NSC 107392; NSC107392; Picolinaldehyde, 5-hydroxy-, thiosemicarbazone; 5-Hydroxypyridine-2-carboxaldehyde thiosemicarbazone; 19494-89-4; UNII-7E4G242I83; [[(Z)-(5-oxopyridin-2-ylidene)methyl]amino]thiourea; 7E4G242I83; Hydrazinecarbothioamide, 2-((5-hydroxy-2-pyridinyl)methylene)-; Hydrazinecarbothioamide, 2-[(5-hydroxy-2-pyridinyl)methylene]-; BRN 1529208; 5-21-12-00145 (Beilstein Handbook Reference); SCHEMBL783292; CHEMBL331656; SCHEMBL21001171; Hydrazinecarbothioamide, 2-((5-hydroxy-2-pyridinyl)methylene)- (9CI); ZINC56693677; NSC-107392; NSC-107 392; [(E)-(5-hydroxy-2-pyridyl)methyleneamino]thiourea; 5-Hydroxy-2-pyridinecarbaldehyde thiosemicarbazone #; 5-hydroxypyridine-2-carb-oxaldehyde thiosemicarbazone; Hydrazinecarbothioamide, 2-[(5-hydroxy-2-pyridinyl)methylene]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	107392	.	.	.	.	196.23	C7H8N4OS	116	209	1	13	3	4	2	"InChI=1S/C7H8N4OS/c8-7(13)11-10-3-5-1-2-6(12)4-9-5/h1-4,12H,(H3,8,11,13)/b10-3+"	C1=CC(=NC=C1O)/C=N/NC(=S)N	LJHGXGDHNOZLFT-XCVCLJGOSA-N
DG68932	"5-amino-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H-triazolo[4,5-d]pyrimidin-7-one"	135454027	MLS003389413; 4546-73-0; NSC89822; NCIOpen2_006085; CHEMBL1870112; DTXSID30293483; NSC-89822; SMR002049066	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89822	.	.	.	.	268.23	C9H12N6O4	148	418	-2.1	19	4	7	2	"InChI=1S/C9H12N6O4/c10-9-11-7-6(8(18)12-9)13-14-15(7)5-1-3(17)4(2-16)19-5/h3-5,16-17H,1-2H2,(H3,10,11,12,18)"	C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)N=N2)CO)O	QLBHLFDZMJYBOX-UHFFFAOYSA-N
DG68933	"8-[4-[Bis(2-chloroethyl)amino]phenyl]-3,7-dihydropurin-6-one"	135454065	"MLS002694739; SMR001560661; NSC87086; NCIOpen2_009437; cid_258295; CHEMBL1892464; BDBM97324; HMS3087G15; 8-[4-[bis(2-chloroethyl)amino]phenyl]-3,7-dihydropurin-6-one; ZINC4440578; NSC-87086"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87086	.	.	.	.	352.2	C15H15Cl2N5O	73.4	436	2.5	23	2	4	6	"InChI=1S/C15H15Cl2N5O/c16-5-7-22(8-6-17)11-3-1-10(2-4-11)13-20-12-14(21-13)18-9-19-15(12)23/h1-4,9H,5-8H2,(H2,18,19,20,21,23)"	C1=CC(=CC=C1C2=NC3=C(N2)C(=O)NC=N3)N(CCCl)CCCl	QLMSGIGJKNBEGK-UHFFFAOYSA-N
DG68934	3-(4-Fluorophenyl)-2-(4-hydroxy-2-quinazolinyl)acrylonitrile	135454442	NSC684965; CHEMBL1971771; ZINC8665842; MFCD01533914; AKOS000540320; NSC-684965; 3-(4-Fluorophenyl)-2-(4-hydroxy-2-quinazolinyl)acrylonitrile; (E)-3-(4-fluorophenyl)-2-(4-hydroxyquinazolin-2-yl)prop-2-enenitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684965	.	.	.	.	291.28	C17H10FN3O	65.2	552	2.8	22	1	4	2	"InChI=1S/C17H10FN3O/c18-13-7-5-11(6-8-13)9-12(10-19)16-20-15-4-2-1-3-14(15)17(22)21-16/h1-9H,(H,20,21,22)/b12-9+"	C1=CC=C2C(=C1)C(=O)NC(=N2)/C(=C/C3=CC=C(C=C3)F)/C#N	PDRKIOWUNKORCL-FMIVXFBMSA-N
DG68935	"2-(2,4-Dinitrophenyl)sulfanyl-6-methyl-pyrimidin-4-ol"	135454603	"NSC697716; CHEMBL1971827; ZINC16283978; AKOS004122518; AKOS024381851; MCULE-4569728439; NSC-697716; NCI60_034887; AJ-333/09215059; 2-(2,4-dinitrophenyl)sulfanyl-6-methyl-pyrimidin-4-ol; 2-[(2,4-Dinitrophenyl)thio]-6-methylpyrimidine-4(1H)-one; 2-({2,4-bisnitrophenyl}sulfanyl)-6-methyl-4(3H)-pyrimidinone; 6-Methyl-2-[(2,4-dinitrophenyl)thio]-4-(1H)-pyrimidinone; 2-((2,4-Bis(hydroxy(oxido)amino)phenyl)thio)-6-methyl-4-pyrimidinol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697716	.	.	.	.	308.27	C11H8N4O5S	158	536	1.8	21	1	7	2	"InChI=1S/C11H8N4O5S/c1-6-4-10(16)13-11(12-6)21-9-3-2-7(14(17)18)5-8(9)15(19)20/h2-5H,1H3,(H,12,13,16)"	CC1=CC(=O)NC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]	MQRSKNRMJCUQTI-UHFFFAOYSA-N
DG68936	"5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione"	135455281	MLS003373836; CHEMBL1976582; 14859-92-8; NSC521586; ZINC16951996; NSC-521586	.	.	Investigative Drug(s)	Investigative	Small molecular drug	521586	.	.	.	.	230.22	C11H10N4O2	82.6	370	1.1	17	3	4	3	"InChI=1S/C11H10N4O2/c16-10-8(6-12-11(17)14-10)7-13-15-9-4-2-1-3-5-9/h1-7,15H,(H2,12,14,16,17)/b13-7-"	C1=CC=C(C=C1)N/N=C\\C2=CNC(=O)NC2=O	KUCAEENKTLDCGM-QPEQYQDCSA-N
DG68937	"2,5-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]aniline"	135455348	92428-70-1; NSC526671; NSC-526671	.	.	Investigative Drug(s)	Investigative	Small molecular drug	526671	.	.	.	.	304.2	C15H11Cl2N3	40.2	350	4.9	20	2	2	3	"InChI=1S/C15H11Cl2N3/c16-11-5-6-13(17)15(7-11)20-19-9-10-8-18-14-4-2-1-3-12(10)14/h1-9,18,20H/b19-9-"	C1=CC=C2C(=C1)C(=CN2)/C=N\\NC3=C(C=CC(=C3)Cl)Cl	RNHWDGMCSSNIBL-OCKHKDLRSA-N
DG68938	"2-Furancarboxaldehyde, (5-hydroxy-6-methyl-1,2,4-triazin-3-yl)hydrazone"	135455470	"ZINC8652645; NSC607568; NSC-607568; 2-Furancarboxaldehyde, (5-hydroxy-6-methyl- 1,2,4-triazin-3-yl)hydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	607568	.	.	.	.	264.2	C9H8N6O4	137	480	0.3	19	2	7	3	"InChI=1S/C9H8N6O4/c1-5-8(16)11-9(14-12-5)13-10-4-6-2-3-7(19-6)15(17)18/h2-4H,1H3,(H2,11,13,14,16)/b10-4+"	CC1=NN=C(NC1=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]	HOLJAJCUZJZLJK-ONNFQVAWSA-N
DG68939	3-Benzoxazol-2-yl-7-hydroxy-1-benzopyran-2(2H)-one	135455478	"64887-40-7; 3-(2-benzoxazolyl)-7-hydroxycoumarin; 3-(benzo[d]oxazol-2-yl)-7-hydroxy-2H-chromen-2-one; 3-Benzoxazol-2-yl-7-hydroxy-1-benzopyran-2(2H)-one; MLS003373905; 3-(1,3-BENZOXAZOL-2-YL)-7-HYDROXYCHROMEN-2-ONE; EINECS 265-263-8; NSC608068; CBMicro_024229; MixCom6_001253; Oprea1_270328; CHEMBL243861; SCHEMBL2490607; 3-(1,3-benzoxazol-2-yl)-7-hydroxy-2H-chromen-2-one; ZINC388787; 3-(2-Benzolyl)-7-hydroxycoumarin; CCG-11391; STL520065; AKOS001042720; MCULE-2200185787; NSC-608068; NCI60_004720; SMR002048697; BIM-0024198.P001; 2H-1-Benzopyran-2-one,3-(2-benzoxazolyl)-7-hydroxy-; 3-(Benzoxazol-2-yl)-7-hydroxy-2H-1-benzopyran-2-one; F0821-0207"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	608068	.	.	.	.	279.25	C16H9NO4	72.6	463	3.1	21	1	5	1	"InChI=1S/C16H9NO4/c18-10-6-5-9-7-11(16(19)21-14(9)8-10)15-17-12-3-1-2-4-13(12)20-15/h1-8,18H"	C1=CC=C2C(=C1)N=C(O2)C3=CC4=C(C=C(C=C4)O)OC3=O	IKLXGICISXJRPJ-UHFFFAOYSA-N
DG68940	"2H-1-Benzopyran-4-carbonitrile, 3-(2-benzothiazolyl)-7-hydroxy-2-oxo-"	135455479	"NSC608069; 2H-1-Benzopyran-4-carbonitrile, 3-(2-benzothiazolyl)-7-hydroxy-2-oxo-; 93079-57-3; CHEMBL244949; SCHEMBL10759159; DTXSID90425647; ZINC1610752; NSC-608069; NCI60_004721; 3-(2-benzothiazolyl)-4-cyano-7-hydroxycoumarin"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	608069	.	.	.	.	320.3	C17H8N2O3S	111	596	3.1	23	1	6	1	"InChI=1S/C17H8N2O3S/c18-8-11-10-6-5-9(20)7-13(10)22-17(21)15(11)16-19-12-3-1-2-4-14(12)23-16/h1-7,20H"	C1=CC=C2C(=C1)N=C(S2)C3=C(C4=C(C=C(C=C4)O)OC3=O)C#N	NUMVQHABHCWBHI-UHFFFAOYSA-N
DG68941	"1-Phenazinol,8-bis[(4-morpholinyl)methyl]-, 5,10-dioxide, hydrochloride (2:3)"	135455540	"NSC614049; CHEMBL1981255; NSC-614049; 1-Phenazinol,8-bis[(4-morpholinyl)methyl]-, 5,10- dioxide, hydrochloride (2:3)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614049	.	.	.	.	462.9	C22H27ClN4O5	96.1	588	.	32	2	7	4	"InChI=1S/C22H26N4O5.ClH/c27-21-3-1-2-18-22(21)26(29)20-13-17(15-24-6-10-31-11-7-24)16(12-19(20)25(18)28)14-23-4-8-30-9-5-23;/h1-3,12-13,27H,4-11,14-15H2;1H"	C1COCCN1CC2=CC3=[N+](C4=C(C(=CC=C4)O)[N+](=C3C=C2CN5CCOCC5)[O-])[O-].Cl	LUDPSIUQZOCIFC-UHFFFAOYSA-N
DG68942	"2-(2-Morpholin-4-ylethyl)-5,10-dioxido-1,3-dihydropyrrolo[3,4-i]phenazine-5,10-diium-6-ol;hydrochloride"	135455545	NSC614633; CHEMBL1991339; NSC-614633	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614633	.	.	.	.	418.9	C20H23ClN4O4	86.9	548	.	29	2	6	3	"InChI=1S/C20H22N4O4.ClH/c25-19-3-1-2-16-20(19)24(27)18-11-15-13-22(5-4-21-6-8-28-9-7-21)12-14(15)10-17(18)23(16)26;/h1-3,10-11,25H,4-9,12-13H2;1H"	C1COCCN1CCN2CC3=CC4=[N+](C5=C(C(=CC=C5)O)[N+](=C4C=C3C2)[O-])[O-].Cl	PICHGFGTVURUPW-UHFFFAOYSA-N
DG68943	"N'-(3,5-dichloro-2-hydroxybenzylidene)-2-hydroxybenzohydrazide"	135455583	"NSC617581; SCHEMBL683738; CHEMBL1971609; CHEBI:95320; STK035601; ZINC17176328; AKOS000485110; NSC-617581; SR-01000079573; SR-01000079573-1; BRD-K82837433-001-01-6; BRD-K82837433-001-02-4; 2'-(3,5-Dichloro-2-hydroxybenzylidene)-2-hydroxybenzohydrazide; N'-(3,5-dichloro-2-hydroxybenzylidene)-2-hydroxybenzohydrazide; N'-[(1E)-(3,5-dichloro-2-hydroxyphenyl)methylene]-2-hydroxybenzohydrazide; N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-hydroxybenzohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617581	.	.	.	.	325.1	C14H10Cl2N2O3	81.9	394	3.9	21	3	4	3	"InChI=1S/C14H10Cl2N2O3/c15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19/h1-7,19-20H,(H,18,21)/b17-7+"	C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)O)O	PMJGWWMIDKKJOA-REZTVBANSA-N
DG68944	methyl N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]carbamate	135455594	NSC618489; CHEMBL1996290; AKOS003870058; NSC-618489	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618489	.	.	.	.	240.21	C10H12N2O5	97.2	448	0.6	17	2	6	3	"InChI=1S/C10H12N2O5/c1-5-4-7(13)8(9(14)17-5)6(2)11-12-10(15)16-3/h4,13H,1-3H3,(H,12,15)/b11-6+"	CC1=CC(=C(C(=O)O1)/C(=N/NC(=O)OC)/C)O	NKPMGLSEEIIXLP-IZZDOVSWSA-N
DG68945	2-[(E)-[(2-hydroxy-3-methoxyphenyl)-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]methyl]iminomethyl]-6-methoxyphenol	135455640	NSC620465; CHEMBL1995936; NSC-620465	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620465	.	.	.	.	436.5	C24H24N2O6	113	579	3.6	32	3	8	8	"InChI=1S/C24H24N2O6/c1-30-18-10-4-7-15(21(18)27)13-25-24(17-9-6-12-20(32-3)23(17)29)26-14-16-8-5-11-19(31-2)22(16)28/h4-14,24,27-29H,1-3H3/b25-13+,26-14+"	COC1=CC=CC(=C1O)/C=N/C(/N=C/C2=C(C(=CC=C2)OC)O)C3=C(C(=CC=C3)OC)O	QYOVXBVXFAJHQH-BKHCZYBLSA-N
DG68946	"2-[2-amino-1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrrol-3-yl]quinazolin-4(3H)-one"	135456438	"Oprea1_090452; Oprea1_668589; ZINC5091821; CCG-16384; NSC727826; STK976237; AKOS000534758; MCULE-9969425956; NSC-727826; SR-01000429800; SR-01000429800-1; 2-[5-amino-1-(3-chlorophenyl)-3-oxo-2,4-dihydro-4-quinazolinone; 2-[2-amino-1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrrol-3-yl]quinazolin-4(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727826	.	.	.	.	352.8	C18H13ClN4O2	88.8	660	2.1	25	3	4	2	"InChI=1S/C18H13ClN4O2/c19-10-4-3-5-11(8-10)23-9-14(24)15(16(23)20)17-21-13-7-2-1-6-12(13)18(25)22-17/h1-8,20,24H,9H2,(H,21,22,25)"	C1C(=C(C(=N)N1C2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4C(=O)N3)O	KANBZOJTVSUFEE-UHFFFAOYSA-N
DG68947	"7-Chloro-3-(4-methylanilino)-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile"	135457335	"NSC693867; CHEMBL1996829; NSC-693867; NCI60_033599; 7-chloro-3-(4-methylanilino)-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile; 7-Chloro-3-[(4-methyl)phenylamino]-2-quinoxalinecarbonitrile, 1,4-di-N-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693867	.	.	.	.	326.74	C16H11ClN4O2	86.7	462	2.7	23	1	4	2	"InChI=1S/C16H11ClN4O2/c1-10-2-5-12(6-3-10)19-16-15(9-18)20(22)14-8-11(17)4-7-13(14)21(16)23/h2-8,19H,1H3"	CC1=CC=C(C=C1)NC2=[N+](C3=C(C=C(C=C3)Cl)[N+](=C2C#N)[O-])[O-]	UZTJBKDVRMJPGC-UHFFFAOYSA-N
DG68948	"(5Z)-5-[(2-hydroxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione"	135458242	"MLS000756644; NSC659434; SMR000529096; (5Z)-5-[(2-hydroxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione; CHEMBL3194287; BDBM94820; cid_6264712; NSC-659434; (5Z)-5-[(2-hydroxy-1-naphthyl)methylene]hydantoin; 5-((2-Hydroxy-1-naphthyl)methylene)-2,4-imidazolidinedione; (5Z)-5-[(2-hydroxy-1-naphthyl)methylene]imidazolidine-2,4-dione; (5Z)-5-[(2-hydroxy-1-naphthalenyl)methylidene]imidazolidine-2,4-dione; (5Z)-5-[(2-oxidanylnaphthalen-1-yl)methylidene]imidazolidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659434	.	.	.	.	254.24	C14H10N2O3	78.4	531	1.1	19	3	3	1	"InChI=1S/C14H10N2O3/c17-12-6-5-8-3-1-2-4-9(8)10(12)7-11-13(18)16-14(19)15-11/h1-7,18H,(H2,15,16,19)/b10-7-"	C1=CC=C\\2C(=C1)C=CC(=O)/C2=C\\C3=C(NC(=O)N3)O	NQOHIKXQSXBTLV-YFHOEESVSA-N
DG68949	2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one	135458781	MLS002703422; NSC97960; SCHEMBL15762973; ZINC8619256; NSC-97960; AKOS001009569; AB00081445-01; SR-01000205678; SR-01000205678-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	97960	.	.	.	.	323.15	C12H11BrN4O2	86.1	447	1.4	19	3	4	3	"InChI=1S/C12H11BrN4O2/c1-7-4-11(19)16-12(15-7)17-14-6-8-5-9(13)2-3-10(8)18/h2-6,18H,1H3,(H2,15,16,17,19)/b14-6+"	CC1=CC(=O)NC(=N1)N/N=C/C2=C(C=CC(=C2)Br)O	FUEYAMPVHZVECP-MKMNVTDBSA-N
DG68950	"5-Amino-4-benzothiazol-2-yl-1-(2,5-dimethoxy-phenyl)-1,2-dihydro-pyrrol-3-one"	135459277	"5-Amino-4-benzothiazol-2-yl-1-(2,5-dimethoxy-phenyl)-1,2-dihydro-pyrrol-3-one; MLS000529422; CHEMBL1403831; HMS2319I12; ZINC791103; NSC732787; ZINC00791103; AKOS000535069; MCULE-8949800782; NSC-732787; SMR000121897; 5-amino-4-(1,5-dimethoxyphenyl)-2, 3-dihydro-1H-3-pyrrolone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732787	.	.	.	.	367.4	C19H17N3O3S	107	584	2.9	26	2	6	4	"InChI=1S/C19H17N3O3S/c1-24-11-7-8-15(25-2)13(9-11)22-10-14(23)17(18(22)20)19-21-12-5-3-4-6-16(12)26-19/h3-9,20,23H,10H2,1-2H3"	COC1=CC(=C(C=C1)OC)N2CC(=C(C2=N)C3=NC4=CC=CC=C4S3)O	CDOHJUPUIYEDTC-UHFFFAOYSA-N
DG68951	"2,5-dimethyl-1H-imidazo[4,5-d]pyridazine-4-thione"	135460189	"NSC690587; CHEMBL1995724; NSC-690587; NCI60_032511; 2,5-dimethyl-1H-imidazo[4,5-d]pyridazine-4-thione; 2,5-Dimethyl-1,5-dihydro-4H-imidazo[4,5-d]pyridazine-4-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690587	.	.	.	.	180.23	C7H8N4S	76.4	240	0.7	12	1	3	0	"InChI=1S/C7H8N4S/c1-4-9-5-3-8-11(2)7(12)6(5)10-4/h3H,1-2H3,(H,9,10)"	CC1=NC2=C(N1)C=NN(C2=S)C	FEXJGPGUZUNNHR-UHFFFAOYSA-N
DG68952	1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]thiourea	135460243	NSC65022; NSC-65022; ZINC104388449; 6956-36-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	65022	.	.	.	.	383.3	C15H12Cl2N4O2S	121	440	3.8	24	4	5	4	"InChI=1S/C15H12Cl2N4O2S/c16-11-1-3-13(22)9(5-11)7-18-20-15(24)21-19-8-10-6-12(17)2-4-14(10)23/h1-8,22-23H,(H2,20,21,24)/b18-7-,19-8+"	C1=CC(=C(C=C1Cl)/C=N/NC(=S)N/N=C\\C2=C(C=CC(=C2)Cl)O)O	DJCOGVNAADFKNZ-CLLFQMGYSA-N
DG68953	"(4E)-4-[(2Z)-2-(5,7-dibromo-8-hydroxy-1H-quinolin-2-ylidene)ethylidene]-2-methoxy-1-cyclohexa-2,5-dienone"	135460261	"MLS000736745; SMR000528308; NSC67090; CHEMBL1993431; BDBM83241; cid_16682521; HMS2880M04; NSC-67090; (4E)-4-[(2Z)-2-(5,7-dibromo-8-hydroxy-1H-quinolin-2-ylidene)ethylidene]-2-methoxy-1-cyclohexa-2,5-dienone; (4E)-4-[(2Z)-2-(5,7-dibromo-8-hydroxy-1H-quinolin-2-ylidene)ethylidene]-2-methoxy-cyclohexa-2,5-dien-1-one; (4E)-4-[(2Z)-2-(5,7-dibromo-8-hydroxy-1H-quinolin-2-ylidene)ethylidene]-2-methoxycyclohexa-2,5-dien-1-one; (4E)-4-[(2Z)-2-[5,7-bis(bromanyl)-8-oxidanyl-1H-quinolin-2-ylidene]ethylidene]-2-methoxy-cyclohexa-2,5-dien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67090	.	.	.	.	451.1	C18H13Br2NO3	62.6	450	5.1	24	2	4	3	"InChI=1S/C18H13Br2NO3/c1-24-16-8-10(3-7-15(16)22)2-4-11-5-6-12-13(19)9-14(20)18(23)17(12)21-11/h2-9,22-23H,1H3/b4-2+"	COC1=C(C=CC(=C1)/C=C/C2=NC3=C(C=C2)C(=CC(=C3O)Br)Br)O	LJHFHFMKDNYWHI-DUXPYHPUSA-N
DG68954	Salicylaldehyde phenyl hydrazone	135460273	2-Hydroxybenzaldehyde phenylhydrazone; 614-65-3; NSC-68558; Salicylaldehyde phenyl hydrazone; NSC68558; ZINC4159325; Q27251898	.	.	Investigative Drug(s)	Investigative	Small molecular drug	68558	.	.	.	.	212.25	C13H12N2O	44.6	224	3.4	16	2	3	3	"InChI=1S/C13H12N2O/c16-13-9-5-4-6-11(13)10-14-15-12-7-2-1-3-8-12/h1-10,15-16H/b14-10-"	C1=CC=C(C=C1)N/N=C\\C2=CC=CC=C2O	SERARPRVBWDEBA-UVTDQMKNSA-N
DG68955	"Imidazole-4-carboxamide, 5-(3-butyl-3-methyl-1-triazeno)-"	135460287	"NSC 70874; Imidazole-4-carboxamide, 5-(3-butyl-3-methyl-1-triazeno)-; 18910-59-3; BRN 0916219; NSC70874; 5-(3-Butyl-3-methyl-1-triazeno)imidazole-4-carboxamide; 5-(3-Butyl-3-methyl-1-triazenyl)-1H-imidazole-4-carboxamide; 1H-Imidazole-4-carboxamide, 5-(3-butyl-3-methyl-1-triazenyl)-; CHEMBL1985824; NSC-70874; 1H-Imidazole-4-carboxamide, 5-(3-butyl-3-methyl-1-triazenyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	70874	.	.	.	.	224.26	C9H16N6O	99.7	256	0.7	16	2	5	6	"InChI=1S/C9H16N6O/c1-3-4-5-15(2)14-13-9-7(8(10)16)11-6-12-9/h6H,3-5H2,1-2H3,(H2,10,16)(H,11,12)/b14-13+"	CCCCN(C)/N=N/C1=C(NC=N1)C(=O)N	MNYIKAMATCANTQ-BUHFOSPRSA-N
DG68956	N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]cyclopropanecarboxamide	135460295	MLS002693790; ZINC511173; NSC72881; NSC-72881	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72881	.	.	.	.	254.28	C15H14N2O2	61.7	365	2.5	19	2	3	3	"InChI=1S/C15H14N2O2/c18-14-8-7-10-3-1-2-4-12(10)13(14)9-16-17-15(19)11-5-6-11/h1-4,7-9,11,18H,5-6H2,(H,17,19)/b16-9-"	C1CC1C(=O)N/N=C\\C2=C(C=CC3=CC=CC=C32)O	BJRRKRXUCGHUGX-SXGWCWSVSA-N
DG68957	4-Hydroxy-2-(2-Hydroxybenzylidenehydrazino)-6-Methylpyrimidine	135460298	"4-Hydroxy-2-(2-Hydroxybenzylidenehydrazino)-6-Methylpyrimidine; 66680-03-3; 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one; Benzaldehyde, (1,4-dihydro-6-methyl-4-oxo-2-pyrimidinyl)hydrazone; NSC73150; SKLB325; CHEMBL4532638; SCHEMBL15762974; DTXSID10425467; NSC97967; MFCD00179014; NSC-73150; NSC-97967; STK748182; STL267630; AKOS001444236; AKOS003621055; CCG-248163; MCULE-2387880697; CS-0255398; AB00090811-01; 2-(2-(2-Hydroxybenzylidene)hydrazinyl)-6-methylpyrimidin-4-ol; 2-hydroxybenzaldehyde 1-(4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone; 2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-6-methylpyrimidin-4(3H)-one; 2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-6-methylpyrimidin-4-ol; 6-METHYL-2-[2-[(E)-(6-OXO-1-CYCLOHEXA-2,4-DIENYLIDENE)METHYL]HYDRAZINY L]-1H-PYRIMIDIN-4-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	97967	.	.	.	.	244.25	C12H12N4O2	86.1	414	0.8	18	3	4	3	"InChI=1S/C12H12N4O2/c1-8-6-11(18)15-12(14-8)16-13-7-9-4-2-3-5-10(9)17/h2-7,17H,1H3,(H2,14,15,16,18)/b13-7+"	CC1=CC(=O)NC(=N1)N/N=C/C2=CC=CC=C2O	XVDNTAIBZHGIAL-NTUHNPAUSA-N
DG68958	NSC77038	135460332	"8,3-e]naphtho[2,3-c:6,7-c']dipyran-2,6,13(9H)-trione, 3,3a,5,8,11,13b-hexahydro-7,8,12,15-tetrahydroxy-5,9-dimethyl-, [3aS-(3aalpha,5alpha,8alpha,9alpha,11beta,13balpha,15S*)]-; NSC77038; NSC-77038; B 80563; 8,3-e]naphtho[2,3-c:6,7-c']dipyran-2,6,13(9H)-trione, 3,3a,5,8,11,13b-hexahydro-7,8,12,15-tetrahydroxy-5,9-dimethyl-, [3aS-(3a.alpha.,5.alpha.,8.alpha.,9.alpha.,11.beta.,13b.alpha.,15S*)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	77038	.	.	.	.	444.4	C22H20O10	160	958	-0.4	32	4	10	0	"InChI=1S/C22H20O10/c1-5-11-15(21-8(30-5)4-10(24)32-21)19(27)13-14(17(11)25)20(28)16-12(18(13)26)7-3-9(23)22(16,29)6(2)31-7/h5-9,21,23,26,28-29H,3-4H2,1-2H3"	CC1C2=C(C3C(O1)CC(=O)O3)C(=O)C4=C(C5=C(C(=C4C2=O)O)C6(C(OC5CC6O)C)O)O	QBQXQYSJPWXZJL-UHFFFAOYSA-N
DG68959	"2-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenol"	135460716	"MLS002607896; 2-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenol; 6278-41-7; 2-hydroxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone; NSC34780; CHEMBL4743469; DTXSID10417943; CCG-9321; NSC-34780; STK174912; ZINC16672850; AKOS000411661; BIM-0022189.P001; AB00086793-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34780	.	.	.	.	269.32	C14H11N3OS	85.8	326	4	19	2	5	3	"InChI=1S/C14H11N3OS/c18-12-7-3-1-5-10(12)9-15-17-14-16-11-6-2-4-8-13(11)19-14/h1-9,18H,(H,16,17)/b15-9+"	C1=CC=C(C(=C1)/C=N/NC2=NC3=CC=CC=C3S2)O	MKWMJLJVBCWMHC-OQLLNIDSSA-N
DG68960	"[4,5-diacetyloxy-6-[[2-methylsulfanyl-6-oxo-5-(3-oxobutan-2-ylideneamino)-1H-pyrimidin-4-yl]amino]oxan-3-yl] acetate"	135463879	NSC622761; CHEMBL1988446; NSC-622761; NCI60_006755	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622761	.	.	.	.	498.5	C20H26N4O9S	196	975	-0.2	34	2	13	11	"InChI=1S/C20H26N4O9S/c1-8(9(2)25)21-14-17(23-20(34-6)24-18(14)29)22-19-16(33-12(5)28)15(32-11(4)27)13(7-30-19)31-10(3)26/h13,15-16,19H,7H2,1-6H3,(H2,22,23,24,29)"	CC(=NC1=C(N=C(NC1=O)SC)NC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C	BHIGAJQJWPZXJF-UHFFFAOYSA-N
DG68961	NSC731099	135465400	"1-cyclopropyl-6-fluoro-7-[4-[[(3Z)-5-fluoro-2-oxo-3-(pyridine-4-carbonylhydrazono)indolin-1-yl]methyl]-3-methyl-piperazin-1-yl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid; CHEMBL377823; NSC731099; NSC-731099; 1-cyclopropyl-6-fluoro-7-[4-[[(3Z)-5-fluoro-2-oxo-3-(pyridine-4-carbonylhydrazono)indolin-1-yl]methyl]-3-methyl-piperazin-1-yl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid; 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-7-[4-[[(3Z)-5-fluoro-2,3-dihydro-2-oxo-3-[(4-pyridinylcarbonyl)hydrazono]-1H-indol-1-yl]methyl]-3-methyl-1-piperazinyl]-1,4-dihydro-8-methoxy-4-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731099	.	.	.	.	671.6	C34H31F2N7O6	153	1330	3.2	49	2	13	8	"InChI=1S/C34H31F2N7O6/c1-18-15-40(29-25(36)14-23-28(31(29)49-2)42(21-4-5-21)16-24(30(23)44)34(47)48)11-12-41(18)17-43-26-6-3-20(35)13-22(26)27(33(43)46)38-39-32(45)19-7-9-37-10-8-19/h3,6-10,13-14,16,18,21,46H,4-5,11-12,15,17H2,1-2H3,(H,47,48)"	CC1CN(CCN1CN2C3=C(C=C(C=C3)F)C(=C2O)N=NC(=O)C4=CC=NC=C4)C5=C(C=C6C(=C5OC)N(C=C(C6=O)C(=O)O)C7CC7)F	LTKAGECHZUFWJB-UHFFFAOYSA-N
DG68962	4-Chloro-2-mercapto-5-methyl-N-(1H-perimidin-2-yl)benzenesulfonamide	135465540	NSC696907; CHEMBL1995119; NSC-696907; NCI60_034526; 4-Chloro-2-mercapto-5-methyl-N-(1H-perimidin-2-yl)benzenesulfonamide; 4-chloro-5-methyl-N-(1H-perimidin-2-yl)-2-sulfanyl-benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696907	.	.	.	.	403.9	C18H14ClN3O2S2	79.9	644	4.4	26	3	4	2	"InChI=1S/C18H14ClN3O2S2/c1-10-8-16(15(25)9-12(10)19)26(23,24)22-18-20-13-6-2-4-11-5-3-7-14(21-18)17(11)13/h2-9,25H,1H3,(H2,20,21,22)"	CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N=C2NC3=CC=CC4=C3C(=CC=C4)N2	AGBDQOAYKJADGP-UHFFFAOYSA-N
DG68963	5-(4-Methoxy-benzylidene)-2-phenylimino-thiazolidin-4-one	135465730	"GNF-Pf-2875; MLS001202681; 5-(4-Methoxy-benzylidene)-2-phenylimino-thiazolidin-4-one; SMR000513231; CHEMBL611498; BDBM69700; cid_1274337; (5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one; NSC766747; STL281839; ZINC13476318; AKOS000542450; AKOS000945534; NSC-766747; SR-01000326624; (5Z)-2-anilino-5-p-anisylidene-2-thiazolin-4-one; SR-01000326624-1; 2-(Phenylimino)-5-(4-methoxybenzylidene)thiazolidine-4-one; 5-(4-Methoxybenzylidene)-2-(phenylimino)-4-thiazolidinone; (5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-4-thiazolone; Thiazole, tetrahydro-2-phenylimino-4-oxo-5-(4-metoxybenzylidene)-; (5Z)-5-(4-methoxybenzylidene)-2-(phenylamino)-1,3-thiazol-4(5H)-one; (5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenylazanyl-1,3-thiazol-4-one; (2Z,5Z)-5-(4-Methoxybenzylidene)-2-(phenylimino)-1,3-thiazolidin-4-one #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766747	.	.	.	.	310.4	C17H14N2O2S	76	461	4	22	1	4	3	"InChI=1S/C17H14N2O2S/c1-21-14-9-7-12(8-10-14)11-15-16(20)19-17(22-15)18-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,20)/b15-11-"	COC1=CC=C(C=C1)/C=C\\2/C(=O)NC(=NC3=CC=CC=C3)S2	GIIJJSVNYMYHHB-PTNGSMBKSA-N
DG68964	"2-Chloro-N-(5-(2-(4-chloro-2-methylanilino)-2-oxoethyl)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)benzamide"	135466829	"NSC634416; CHEMBL2000759; SCHEMBL16027082; NSC-634416; 2-Chloro-N-(5-(2-(4-chloro-2-methylanilino)-2-oxoethyl)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)benzamide; NCI60_011440; 2-chloro-N-[5-[2-(4-chloro-2-methyl-anilino)-2-oxo-ethyl]-4-oxo-thiazol-2-yl]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634416	.	.	.	.	436.3	C19H15Cl2N3O3S	113	660	4.3	28	2	4	4	"InChI=1S/C19H15Cl2N3O3S/c1-10-8-11(20)6-7-14(10)22-16(25)9-15-18(27)24-19(28-15)23-17(26)12-4-2-3-5-13(12)21/h2-8,15H,9H2,1H3,(H,22,25)(H,23,24,26,27)"	CC1=C(C=CC(=C1)Cl)NC(=O)CC2C(=O)NC(=NC(=O)C3=CC=CC=C3Cl)S2	PMYLZPSZWBJYKF-UHFFFAOYSA-N
DG68965	2-(5-acetyl-3-cyano-6-methyl-1H-pyridin-2-ylidene)propanedinitrile	135467695	NSC680308; 2-(5-acetyl-3-cyano-6-methyl-1H-pyridin-2-ylidene)propanedinitrile; 2-(5-Acetyl-3-cyano-6-methyl-2(1H)-pyridinylidene)malononitrile; NSC-680308	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680308	.	.	.	.	224.22	C12H8N4O	104	628	0.1	17	1	5	0	"InChI=1S/C12H8N4O/c1-7-11(8(2)17)3-9(4-13)12(16-7)10(5-14)6-15/h3,17H,1-2H3/b11-8-"	CC\\1=NC(=C(C#N)C#N)C(=C/C1=C(\\C)/O)C#N	RBEOYHOPAUNJLV-FLIBITNWSA-N
DG68966	"(3E)-3-(1-anilinoethylidene)-5-[(4-fluorophenyl)methyl]pyrrolidine-2,4-dione"	135468176	"MLS003115197; 59876-45-8; NSC239272; CHEMBL2132112; DTXSID60712495; NSC-239272; SMR001830779; (3E)-3-(1-anilinoethylidene)-5-[(4-fluorophenyl)methyl]pyrrolidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	239272	.	.	.	.	324.3	C19H17FN2O2	61.7	530	2.8	24	2	4	4	"InChI=1S/C19H17FN2O2/c1-12(21-15-5-3-2-4-6-15)17-18(23)16(22-19(17)24)11-13-7-9-14(20)10-8-13/h2-10,16,23H,11H2,1H3,(H,22,24)"	CC(=NC1=CC=CC=C1)C2=C(C(NC2=O)CC3=CC=C(C=C3)F)O	FEBVEBQBTIYAKQ-UHFFFAOYSA-N
DG68967	"2,4-Pyrrolidinedione, 5-[(3-fluorophenyl)methyl]-3-[1-(phenylamino)ethylidene]-"	135468177	"MLS003115198; SMR001830780; 2,4-Pyrrolidinedione, 5-[(3-fluorophenyl)methyl]-3-[1-(phenylamino)ethylidene]-; 59876-44-7; NSC239273; CHEMBL2132769; BDBM97342; cid_5977202; DTXSID70610973; NSC-239273; (3Z)-3-(1-anilinoethylidene)-5-[(3-fluorophenyl)methyl]pyrrolidine-2,4-dione; 2, 5-[(3-fluorophenyl)methyl]-3-[1-(phenylamino)ethylidene]-; (3Z)-3-(1-anilinoethylidene)-5-(3-fluorobenzyl)pyrrolidine-2,4-quinone; (3E)-3-(1-Anilinoethylidene)-5-[(3-fluorophenyl)methyl]pyrrolidine-2,4-dione; (3Z)-5-[(3-fluorophenyl)methyl]-3-(1-phenylazanylethylidene)pyrrolidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	239273	.	.	.	.	324.3	C19H17FN2O2	61.7	538	2.8	24	2	4	4	"InChI=1S/C19H17FN2O2/c1-12(21-15-8-3-2-4-9-15)17-18(23)16(22-19(17)24)11-13-6-5-7-14(20)10-13/h2-10,16,23H,11H2,1H3,(H,22,24)"	CC(=NC1=CC=CC=C1)C2=C(C(NC2=O)CC3=CC(=CC=C3)F)O	ZBBKGJCZNKXCAO-UHFFFAOYSA-N
DG68968	7'-Bromodemethoxy geldanoxazone	135468235	7'-Bromodemethoxy geldanoxazone; NSC255105; 7'-Bromodemethoxygelanoxazone; 7'-Bromodemethoxygeldanoxazone; 64202-83-1; NSC-255105; NSC 255105; CHEMBL1990625; (bromo-hydroxy-dimethoxy-tetramethyl-dioxo-[ ]yl) carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	255105	.	.	.	.	698.6	C34H40BrN3O8	159	1380	3.9	46	3	9	4	"InChI=1S/C34H40BrN3O8/c1-17-12-22-30(40)24(16-25-32(22)45-27-15-21(35)10-11-23(27)37-25)38-33(41)18(2)8-7-9-26(43-5)31(46-34(36)42)20(4)14-19(3)29(39)28(13-17)44-6/h7-11,14-17,19,26,28-29,31,39H,12-13H2,1-6H3,(H2,36,42)(H,38,41)/b9-7-,18-8+,20-14+"	CC1CC(C(C(/C=C(/C(C(/C=C\\C=C(\\C(=O)NC2=CC3=NC4=C(C=C(C=C4)Br)OC3=C(C1)C2=O)/C)OC)OC(=O)N)\\C)C)O)OC	GRRRVBFXHGBGOJ-DOMYYLLWSA-N
DG68969	"5-benzyl-4-imino-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-3-amine"	135468833	"NSC690965; CHEMBL1968835; NSC-690965; NCI60_032646; 5-benzyl-4-imino-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-3-amine; 5-Benzyl-4-imino-6-methyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-amine; 5-Benzyl-4-imino-6-methyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690965	.	.	.	.	253.3	C14H15N5	81.3	374	1.7	19	3	3	2	"InChI=1S/C14H15N5/c1-9-11(7-10-5-3-2-4-6-10)12-13(15)19(16)8-17-14(12)18-9/h2-6,8,15,18H,7,16H2,1H3"	CC1=C(C2=C(N1)N=CN(C2=N)N)CC3=CC=CC=C3	BZRHCLLYLRMCDK-UHFFFAOYSA-N
DG68970	(4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one	135471536	NSC704856; CHEMBL1988962; NSC-704856	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704856	.	.	.	.	286.31	C13H10N4O2S	107	475	1.9	20	2	5	4	"InChI=1S/C13H10N4O2S/c18-12-11(7-9-3-1-5-19-9)15-13(16-12)17-14-8-10-4-2-6-20-10/h1-8H,(H2,15,16,17,18)/b11-7-,14-8+"	C1=COC(=C1)/C=C\\2/C(=O)NC(=N2)N/N=C/C3=CC=CS3	PJHSHEKNGQKUIX-WIFBXHMDSA-N
DG68971	"2-(3,5-Dimethylpyrazol-1-yl)quinazolin-4-ol"	135472230	"NSC691081; CHEMBL2002529; SCHEMBL14075843; STK849915; STL388641; ZINC16994313; AKOS000630181; AKOS005628958; MCULE-9602886645; NSC-691081; 91803-38-2; NCI60_032681; 2-(3,5-dimethylpyrazol-1-yl)quinazolin-4-ol; 2-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-quinazolinol; 2-(3,5-dimethyl-1H-pyrazol-1-yl)quinazolin-4-ol; 2-(3,5-dimethyl-1H-pyrazol-1-yl)quinazolin-4(3H)-one; 2-(3,5-Dimethyl-1H-pyrazol-1-yl)quinazolin-4(3H)-one, AldrichCPR"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691081	.	.	.	.	240.26	C13H12N4O	59.3	381	1.9	18	1	3	1	"InChI=1S/C13H12N4O/c1-8-7-9(2)17(16-8)13-14-11-6-4-3-5-10(11)12(18)15-13/h3-7H,1-2H3,(H,14,15,18)"	CC1=CC(=NN1C2=NC3=CC=CC=C3C(=O)N2)C	BPUGGJBTONTZGE-UHFFFAOYSA-N
DG68972	"2-Methoxy-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one"	135474991	"90057-07-1; 6-Hydroxy-2-methoxy-7-deazapurine; 2-Methoxy-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one; 2-methoxy-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one; 2-methoxy-1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one; NSC622774; 2-Methoxy-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one; AMY892; CHEMBL1974623; DTXSID00326939; 4972AC; ZINC18208791; AKOS006293170; NSC-622774; NCI60_006767; FT-0669749; 2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-ol; 2-Methoxy-7H-pyrrolo[2,3-d]pyrimidin-4(3H)-one; W-204029; 2-methoxy-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one; 2-methoxy-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one; 4H-Pyrrolo[2,3-d]pyrimidin-4-one, 3,7-dihydro-2-methoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622774	.	.	.	.	165.15	C7H7N3O2	66.5	239	0.2	12	2	3	1	"InChI=1S/C7H7N3O2/c1-12-7-9-5-4(2-3-8-5)6(11)10-7/h2-3H,1H3,(H2,8,9,10,11)"	COC1=NC2=C(C=CN2)C(=O)N1	VBKWGPQGJOITCT-UHFFFAOYSA-N
DG68973	"7H-Pyrazolo[4,3-d]pyrimidin-7-one, 1,4-dihydro-3-beta-D-ribofuranosyl-"	135476719	"NSC106486; 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 1,4-dihydro-3-.beta.-D-ribofuranosyl-; CHEMBL267525; DTXSID60930213; NSC219981; NSC219982; NSC-106486; NSC-219981; NSC-219982; NCI60_000152; 7H-Pyrazolo[4, 1,4-dihydro-3-.beta.-D-ribofuranosyl-; 3-(.beta.-D-Ribofuranosyl)pyrazolo(4,3-d)6(H)-7-ketopyrimidine; 1,4-Anhydro-1-(7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-3-yl)pentitol; D-Ribitol, 1,4-anhydro-1-C-(6,7-dihydro-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-, (S)-; D-Ribitol,4-anhydro-1-C-(6,7-dihydro-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106486	.	.	.	.	268.23	C10H12N4O5	140	405	-2.5	19	5	7	2	"InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)"	C1=NC2=C(NN=C2C(=O)N1)C3C(C(C(O3)CO)O)O	MTCJZZBQNCXKAP-UHFFFAOYSA-N
DG68974	Alanosine monosodium salt	135476722	"Alanosine monosodium salt; NSC153353; L-Alanine, monosodium; Alanosine, monosodium salt; Propionic acid, monosodium salt; 59163-41-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	153353	.	.	.	.	172.1	C3H7N3NaO4+	125	156	.	11	3	6	3	"InChI=1S/C3H7N3O4.Na/c4-2(3(7)8)1-6(10)5-9;/h2,9H,1,4H2,(H,7,8);/q;+1/b6-5-;"	C(C(C(=O)O)N)/[N+](=N/O)/[O-].[Na+]	GHMZJZVTLXTLOF-YSMBQZINSA-N
DG68975	Streptovaricin F	135476724	Streptovaricin F; NSC156218; 35512-37-9	.	.	Investigative Drug(s)	Investigative	Small molecular drug	156218	.	.	.	.	753.8	C39H47NO14	239	1730	-0.5	54	7	14	2	"InChI=1S/C39H47NO14/c1-15-11-10-12-38(8,49)35-20(6)29(44)25(37(48)54-35)28(43)19(5)34(46)39(9,50)13-16(2)31-24-22-23(27(42)18(4)32(24)52-14-51-31)30(45)26(40-36(15)47)17(3)33(22)53-21(7)41/h10-13,19-20,25,28-29,34-35,43-46,49-50H,14H2,1-9H3,(H,40,47)/b12-10-,15-11+,16-13-"	CC1C(C2C(C(C(C(/C=C\\C=C(\\C(=O)NC3=C(C(=C4C(=C3O)C(=O)C(=C5C4=C(/C(=C\\C(C1O)(C)O)/C)OCO5)C)OC(=O)C)C)/C)(C)O)OC2=O)C)O)O	LMKBJVKXRKQNGU-GKDVSSMISA-N
DG68976	19-Formylgeldanamycin tert-butylimine	135476731	NSC210753; 62177-10-0; CHEMBL1989454; DTXSID70430193; 19-Formylgeldanamycin tert-butylimine; NSC-210753; 19-Formylgeldanamycin tert-butyl derivative	.	.	Investigative Drug(s)	Investigative	Small molecular drug	210753	.	.	.	.	643.8	C34H49N3O9	176	1360	2.7	46	3	10	7	"InChI=1S/C34H49N3O9/c1-18-14-22-28(39)26(23(17-36-34(5,6)7)29(40)31(22)45-10)37-32(41)19(2)12-11-13-24(43-8)30(46-33(35)42)21(4)16-20(3)27(38)25(15-18)44-9/h11-13,16-18,20,24-25,27,30,38H,14-15H2,1-10H3,(H2,35,42)(H,37,41)/b13-11-,19-12+,21-16+,36-17 "	CC1CC(C(C(/C=C(/C(C(/C=C\\C=C(\\C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)C=NC(C)(C)C)/C)OC)OC(=O)N)\\C)C)O)OC	MCWXLLZNLHMYJE-DPMRUDTMSA-N
DG68977	NSC210760	135476732	"acetic acid;methyl (7E,9Z,20E)-2-acetyloxy-12,14,16,18,19,31-hexahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,28-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.14,29.026,30]hentriaconta-1,3,7,9,20,22(30),26,29(31)-octaene-15-carboxylate; NSC210760; Streptovaricin C triacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	210760	.	.	.	.	829.9	C42H55NO16	276	1710	.	59	8	16	4	"InChI=1S/C40H51NO14.C2H4O2/c1-16-12-11-13-17(2)38(49)41-28-19(4)36(55-23(8)42)24-25(33(28)47)31(45)21(6)35-26(24)34(53-15-54-35)18(3)14-40(9,51)37(48)22(7)32(46)27(39(50)52-10)30(44)20(5)29(16)43;1-2(3)4/h11-14,16,20,22,27,29-30,32,37,43-44,46-48,51H,15H2,1-10H3,(H,41,49);1H3,(H,3,4)/b12-11-,17-13+,18-14+;"	CC1/C=C\\C=C(\\C(=O)NC2=C(C(=C3C(=C2O)C(=O)C(=C4C3=C(/C(=C/C(C(C(C(C(C(C(C1O)C)O)C(=O)OC)O)C)O)(C)O)/C)OCO4)C)OC(=O)C)C)/C.CC(=O)O	ZTKBNCHRIWQUSM-KFHPQJQOSA-N
DG68978	Butyl cycloheptyl prodiginine hydrochloride	135476736	NSC247562; Butyl cycloheptyl prodiginine hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	247562	.	.	.	.	427	C25H33ClN3O-	53.2	638	.	30	2	3	6	"InChI=1S/C25H33N3O.ClH/c1-3-4-10-18-11-7-5-6-8-12-21-20(18)15-19(27-21)16-24-25(29-2)17-23(28-24)22-13-9-14-26-22;/h9,13-18,26-27H,3-8,10-12H2,1-2H3;1H/p-1/b24-16+;"	CCCCC1CCCCCCC2=C1C=C(N2)/C=C/3\\C(=CC(=N3)C4=CC=CN4)OC.[Cl-]	XHNIOIAAXICRGD-RSOFWHLMSA-M
DG68979	NSC254681	135476738	"[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-11-imino-10-methoxy-6-oxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]azanium;chloride; NSC254681"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	254681	.	.	.	.	563	C27H31ClN2O9	194	963	.	39	6	11	4	"InChI=1S/C27H30N2O9.ClH/c1-10-23(31)14(28)7-17(37-10)38-16-9-27(35,11(2)30)8-13-19(16)26(34)20-21(25(13)33)24(32)12-5-4-6-15(36-3)18(12)22(20)29;/h4-6,10,14,16-17,23,29,31,33-35H,7-9,28H2,1-3H3;1H/t10 ,14 ,16-,17 ,23 ,27-;/m0./s1"	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=N)C(=CC=C5)OC)O)(C(=O)C)O)[NH3+])O.[Cl-]	KVTVLWOKIDKIQL-LAFLKOLFSA-N
DG68980	"2-(hydroxymethyl)-5-[6-[(E)-2-hydroxy-2-phenylethenyl]purin-9-yl]oxolane-3,4-diol"	135476744	NSC295272; MLS002701791; NSC-295272; CHEMBL1972493; 73719-91-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295272	.	.	.	.	370.4	C18H18N4O5	134	544	1	27	4	8	4	"InChI=1S/C18H18N4O5/c23-7-13-15(25)16(26)18(27-13)22-9-21-14-11(19-8-20-17(14)22)6-12(24)10-4-2-1-3-5-10/h1-6,8-9,13,15-16,18,23-26H,7H2/b12-6+"	C1=CC=C(C=C1)/C(=C\\C2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O)/O	MHMCIRXDRBTNOZ-WUXMJOGZSA-N
DG68981	Granatomycin A	135476747	Granatomycin A; NSC355063	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355063	.	.	.	.	460.4	C23H24O10	160	928	0.2	33	4	10	3	"InChI=1S/C23H24O10/c1-7-14-10(4-9(32-7)5-13(25)31-3)19(26)16-17(20(14)27)22(29)18-15(21(16)28)11-6-12(24)23(18,30)8(2)33-11/h7-9,11-12,24,28-30H,4-6H2,1-3H3/t7-,8+,9+,11+,12 ,23+/m0/s1"	C[C@H]1C2=C(C[C@@H](O1)CC(=O)OC)C(=O)C3=C(C4=C(C(=C3C2=O)O)[C@]5([C@H](O[C@@H]4CC5O)C)O)O	OFHFOPDNKQQXJF-SVWSSUFDSA-N
DG68982	"[(E)-1-(7-methoxy-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)ethylideneamino]thiourea"	135476760	"NSC634663; NSC-634663; CHEMBL1398713; NCGC00014948; NCI634663; ZINC13099559; (1E)-1-(7-Methoxy-3-methyl-1,4-dioxidoquinoxalin-2-yl)ethan-1-one thiosemicarbazone; [(E)-1-(7-methoxy-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)ethylideneamino]thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634663	.	.	.	.	321.36	C13H15N5O3S	143	449	-0.6	22	2	5	3	"InChI=1S/C13H15N5O3S/c1-7(15-16-13(14)22)12-8(2)17(19)10-5-4-9(21-3)6-11(10)18(12)20/h4-6H,1-3H3,(H3,14,16,22)/b15-7+"	CC1=C([N+](=C2C=C(C=CC2=[N+]1[O-])OC)[O-])/C(=N/NC(=S)N)/C	QRXWALSILNDHMU-VIZOYTHASA-N
DG68983	"[(E)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium;iodide"	135476761	NSC659126; NSC-659126; CCG-37071; NCI659126	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659126	.	.	.	.	322.14	C10H15IN2O2	52.8	211	.	15	2	4	2	"InChI=1S/C10H14N2O2.HI/c1-12(2,3)11-7-8-4-5-9(13)10(14)6-8;/h4-7H,1-3H3,(H-,11,13,14);1H"	C[N+](C)(C)/N=C/C1=CC(=C(C=C1)O)O.[I-]	RCBFYNUXDDIGSO-UHFFFAOYSA-N
DG68984	Benzathine tenuazonate	135476764	"Benzathine tenuazonate; NSC82260; Tenuazonic acid, N,N'-dibenzyl-; Tenuazonic acid,N'-dibenzylethylenediamine; TENUAZONIC ACID, DIBENZYLAMINE SALT; Tenuazonic acid,N'-dibenzylethylenediamine salt (2:1); 3-Pyrrolin-2-one, compd. with N,N'-dibenzylethylenediamine (2:1), L-; 1, N,N'-bis(phenylmethyl)-, compd. with (S-(R*,R*))-3-acetyl-1,5-dihydro-4-hydroxy-5-(1-methylpropyl)-2H-pyrrol-2-one (1:2); 2H-Pyrrol-2-one,5-dihydro-4-hydroxy-5-(1-methylpropyl)-, (S-(R*,R*))-, compd. with N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1); Ethylenediamine,N'-dibenzyl-,compd. with L-3-acetyl-5-sec-butyl-4-hydroxy-3-pyrrolin-2-one (1:2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82260	.	.	.	.	437.6	C26H35N3O3	90.5	478	.	32	4	5	9	"InChI=1S/C16H20N2.C10H15NO3/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h1-10,17-18H,11-14H2;5,8,12H,4H2,1-3H3,(H,11,14)/b;7-6+/t;5-,8+/m.1/s1"	CC[C@@H](C)[C@H]1C(=O)/C(=C(/C)\\O)/C(=O)N1.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2	RJXIEKYGQXKCJL-NODMZVMPSA-N
DG68985	"4-amino-1-benzyl-5H-pyrazolo[3,4-d]pyrimidin-6-one"	135478196	NSC622937; CHEMBL1987700; ZINC6575298; NSC-622937; NCI60_006796	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622937	.	.	.	.	241.25	C12H11N5O	83.1	459	0	18	2	3	2	"InChI=1S/C12H11N5O/c13-10-9-6-14-17(11(9)16-12(18)15-10)7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,13,15,16,18)"	C1=CC=C(C=C1)CN2C3=NC(=O)NC(=C3C=N2)N	JOXPVVFOFSJNNB-UHFFFAOYSA-N
DG68986	Caerulomycin A	135478684	"Caerulomycin A; Caerulomycin; CHEBI:69235; Carulomycin A; MLS002701966; Caerulomycin-A; (Z)-4-methoxy-2,2-bipyridine-6-carbaldehyde oxime; [2, 4-methoxy-, oxime; CHEMBL1970645; SCHEMBL11014579; NSC114341; ZINC96300330; NSC-114341; 19462-07-8; (z)-4-methoxy-2,2'-bipyridyl-6-aldoxime; J3.658.336C; 6-(Hydroxyiminomethyl)-4-methoxy-2,2'-bipyridine; J-014297; (E)-4-methoxy-2,2'-bipyridine-6-carbaldehyde oxime; Q27137572; (Z)-N-hydroxy-1-(4-methoxy-2,2'-bipyridin-6-yl)methanimine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114341	.	.	.	.	229.23	C12H11N3O2	67.6	260	1.5	17	1	5	3	"InChI=1S/C12H11N3O2/c1-17-10-6-9(8-14-16)15-12(7-10)11-4-2-3-5-13-11/h2-8,16H,1H3/b14-8-"	COC1=CC(=NC(=C1)C2=CC=CC=N2)/C=N\\O	JCTRJRHLGOKMCF-ZSOIEALJSA-N
DG68987	NSC79741	135479135	"4-amino-5-hydroxy-3-[(Z)-[4-[4-[(Z)-(2-hydroxy-6,8-disulfo-1-naphthyl)azo]phenyl]phenyl]azo]-6-[(E)-phenylazo]naphthalene-2,7-disulfonic acid; NSC79741; CHEMBL1979451; SCHEMBL14613624; NSC-79741; ZINC263603232; 1,3-Naphthalenedisulfonic acid, 8-[(Z)-[4'-[(Z)-[1-amino-8-hydroxy-7-[(E)-phenylazo]-3,6-disulfo-2-naphthalenyl]azo][1,1'-biphenyl]-4-yl]azo]-7-hydroxy-; 2, 4-amino-5-hydroxy-3-[[4'- [(2-hydroxy-6,8-disulfo-1-naphthalenyl)azo][1,1'-biphenyl]- 4-yl]azo]-6-(phenylazo)-, tetrasodium salt; 4-amino-5-hydroxy-3-[(Z)-[4-[4-[(Z)-(2-hydroxy-6,8-disulfo-1-naphthyl)azo]phenyl]phenyl]azo]-6-[(E)-phenylazo]naphthalene-2,7-disulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79741	.	.	.	.	933.9	C38H27N7O14S4	392	2120	5.5	63	7	21	11	"InChI=1S/C38H27N7O14S4/c39-34-33-23(18-31(63(57,58)59)37(38(33)47)45-40-24-4-2-1-3-5-24)17-30(62(54,55)56)36(34)44-42-26-13-8-21(9-14-26)20-6-11-25(12-7-20)41-43-35-28(46)15-10-22-16-27(60(48,49)50)19-29(32(22)35)61(51,52)53/h1-19,46-47H,39H2,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)"	C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=C(C=CC7=CC(=CC(=C76)S(=O)(=O)O)S(=O)(=O)O)O)N)O	NGXZQFXXAIWYDJ-UHFFFAOYSA-N
DG68988	"2-(2-(4-Chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2,3-dimethylphenyl)acetamide"	135480970	"NSC632243; CHEMBL1982249; AKOS024423113; MCULE-1489923473; NSC-632243; 2-(2-(4-Chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2,3-dimethylphenyl)acetamide; NCI60_010623; 2-[2-(4-chloro-2-methyl-anilino)-4-oxo-thiazol-5-yl]-N-(2,3-dimethylphenyl)acetamide; 2-{(2E)-2-[(4-chloro-2-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-(2,3-dimethylphenyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632243	.	.	.	.	401.9	C20H20ClN3O2S	95.9	600	4.5	27	2	4	4	"InChI=1S/C20H20ClN3O2S/c1-11-5-4-6-16(13(11)3)22-18(25)10-17-19(26)24-20(27-17)23-15-8-7-14(21)9-12(15)2/h4-9,17H,10H2,1-3H3,(H,22,25)(H,23,24,26)"	CC1=C(C(=CC=C1)NC(=O)CC2C(=O)NC(=NC3=C(C=C(C=C3)Cl)C)S2)C	FGPYOZLLFBGZHI-UHFFFAOYSA-N
DG68989	"2-(2-(4-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(3,4-dimethylphenyl)acetamide"	135483407	"NSC635418; CHEMBL1974207; NSC-635418; 2-(2-(4-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(3,4-dimethylphenyl)acetamide; NCI60_011787; 2-[2-(4-chloroanilino)-4-oxo-thiazol-5-yl]-N-(3,4-dimethylphenyl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635418	.	.	.	.	387.9	C19H18ClN3O2S	95.9	563	4.1	26	2	4	4	"InChI=1S/C19H18ClN3O2S/c1-11-3-6-15(9-12(11)2)21-17(24)10-16-18(25)23-19(26-16)22-14-7-4-13(20)5-8-14/h3-9,16H,10H2,1-2H3,(H,21,24)(H,22,23,25)"	CC1=C(C=C(C=C1)NC(=O)CC2C(=O)NC(=NC3=CC=C(C=C3)Cl)S2)C	ACQSRWGWHHIWSG-UHFFFAOYSA-N
DG68990	Rifamycin AF 05	135483856	"Rifamycin AF 05; AF 05; 3-Formylrifamycin SV O-(diphenylmethyl)oxime; AF-05; NSC143471; 38330-15-3; NSC 143471; BRN 5419013; 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 3-formyl-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, O-(diphenylmethyl)oxime; 3-[[(Diphenylmethoxy)imino]methyl]rifamycin; Rifamycin, 3-(((diphenylmethoxy)imino)methyl)- (9CI); [[(E)-benzhydryloxyiminomethyl]-pentahydroxy-methoxy-heptamethyl-dioxo-[ ]yl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143471	.	.	.	.	907	C51H58N2O13	223	1760	8.1	66	6	14	8	"InChI=1S/C51H58N2O13/c1-26-17-16-18-27(2)50(61)53-40-35(25-52-66-48(33-19-12-10-13-20-33)34-21-14-11-15-22-34)44(58)37-38(45(40)59)43(57)31(6)47-39(37)49(60)51(8,65-47)63-24-23-36(62-9)28(3)46(64-32(7)54)30(5)42(56)29(4)41(26)55/h10-26,28-30,36,41-42,46,48,55-59H,1-9H3,(H,53,61)/b17-16+,24-23+,27-18-,52-25+/t26-,28+,29+,30+,36-,41-,42+,46+,51-/m0/s1"	C[C@H]1/C=C/C=C(\\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/OC(C5=CC=CC=C5)C6=CC=CC=C6)/C	ZGOGYVJXKPGNCZ-SDDCJGPJSA-N
DG68991	"3-amino-1,4-dioxido-N-phenyl-quinoxaline-1,4-diium-2-carboxamide"	135483915	"NSC621496; CHEMBL1968906; ZINC1616421; NSC-621496; NCI60_006304; 3-amino-1,4-dioxido-N-phenyl-quinoxaline-1,4-diium-2-carboxamide; 3-Amino-1,4-dihydroxy-N-phenyl-1.lambda.5,4.lambda.5-quinoxaline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621496	.	.	.	.	296.28	C15H12N4O3	106	402	0.6	22	2	4	2	"InChI=1S/C15H12N4O3/c16-14-13(15(20)17-10-6-2-1-3-7-10)18(21)11-8-4-5-9-12(11)19(14)22/h1-9H,16H2,(H,17,20)"	C1=CC=C(C=C1)NC(=O)C2=[N+](C3=CC=CC=C3[N+](=C2N)[O-])[O-]	YGGHTARZSGUZMI-UHFFFAOYSA-N
DG68992	Methyl 2-hydrazino-5-{5-[6-hydrazino-4-hydroxy-2-(methoxycarbonyl)pyridin-3-yl]pentyl}-6-hydroxypyrimidine-4-carboxylate	135483932	NSC635116; CHEMBL2001868; ZINC8653112; NSC-635116; Methyl 2-hydrazino-5-{5-[6-hydrazino-4-hydroxy-2-(methoxycarbonyl)pyridin-3-yl]pentyl}-6-hydroxypyrimidine-4-carboxylate; NCI60_011662; methyl 2-hydrazino-5-[5-(6-hydrazino-4-hydroxy-2-methoxycarbonyl-3-pyridyl)pentyl]-6-hydroxy-pyrimidine-4-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635116	.	.	.	.	435.4	C18H25N7O6	199	903	0	31	6	11	12	"InChI=1S/C18H25N7O6/c1-30-16(28)13-9(11(26)8-12(21-13)24-19)6-4-3-5-7-10-14(17(29)31-2)22-18(25-20)23-15(10)27/h8H,3-7,19-20H2,1-2H3,(H2,21,24,26)(H2,22,23,25,27)"	COC(=O)C1=C(C(=O)C=C(N1)NN)CCCCCC2=C(N=C(NC2=O)NN)C(=O)OC	HBBHAWLUUVGSTL-UHFFFAOYSA-N
DG68993	"2-((2E)-2-{[4,5-Bis(2-hydroxy-1-naphthyl)-3-nitro-2-furyl]methylene}hydrazino)-N,N,N-trimethyl-2-oxoethanaminium chloride"	135483933	"NSC647262; CHEMBL1971378; NSC-647262; [2-[(2E)-2-[[4,5-bis(2-hydroxy-1-naphthyl)-3-nitro-2-furyl]methylene]hydrazino]-2-oxo-ethyl]-trimethyl-ammonium; 2-((2E)-2-{[4,5-Bis(2-hydroxy-1-naphthyl)-3-nitro-2-furyl]methylene}hydrazino)-N,N,N-trimethyl-2-oxoethanaminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647262	.	.	.	.	575	C30H27ClN4O6	141	934	.	41	3	8	6	"InChI=1S/C30H26N4O6.ClH/c1-34(2,3)17-25(37)32-31-16-24-29(33(38)39)28(26-20-10-6-4-8-18(20)12-14-22(26)35)30(40-24)27-21-11-7-5-9-19(21)13-15-23(27)36;/h4-16H,17H2,1-3H3,(H2-,31,32,35,36,37);1H"	C[N+](C)(C)CC(=O)N/N=C/C1=C(C(=C(O1)C2=C(C=CC3=CC=CC=C32)O)C4=C(C=CC5=CC=CC=C54)O)[N+](=O)[O-].[Cl-]	AOQCFIRXGLRMCE-UHFFFAOYSA-N
DG68994	"Ethyl (4Z)-2-(butylamino)-4-[(2-hydroxybenzoyl)hydrazono]-4,5-dihydrofuran-3-carboxylate"	135483944	"NSC637438; CHEMBL2003967; ZINC104288231; NSC-637438; Ethyl (4Z)-2-(butylamino)-4-[(2-hydroxybenzoyl)hydrazono]-4,5-dihydrofuran-3-carboxylate; ethyl (4Z)-2-(butylamino)-4-[(2-hydroxybenzoyl)hydrazono]furan-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637438	.	.	.	.	361.4	C18H23N3O5	109	573	4.1	26	3	7	9	"InChI=1S/C18H23N3O5/c1-3-5-10-19-17-15(18(24)25-4-2)13(11-26-17)20-21-16(23)12-8-6-7-9-14(12)22/h6-9,19,22H,3-5,10-11H2,1-2H3,(H,21,23)/b20-13+"	CCCCNC1=C(/C(=N/NC(=O)C2=CC=CC=C2O)/CO1)C(=O)OCC	SITHJXXPVWLOQI-DEDYPNTBSA-N
DG68995	ethyl (4Z)-2-(4-bromoanilino)-4-[(2-hydroxybenzoyl)hydrazono]furan-3-carboxylate	135483945	"NSC637441; CHEMBL1985219; AKOS024426519; ZINC103833844; NSC-637441; ethyl (4Z)-2-(4-bromoanilino)-4-[(2-hydroxybenzoyl)hydrazono]furan-3-carboxylate; ethyl (4Z)-2-(4-bromoanilino)-4-[(2-hydroxybenzoyl)hydrazono]-4,5-dihydro-3-furancarboxylate; Ethyl (4Z)-2-[(4-bromophenyl)amino]-4-[(2-hydroxybenzoyl)hydrazono]-4,5-dihydrofuran-3-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637441	.	.	.	.	460.3	C20H18BrN3O5	109	673	5.1	29	3	7	7	"InChI=1S/C20H18BrN3O5/c1-2-28-20(27)17-15(23-24-18(26)14-5-3-4-6-16(14)25)11-29-19(17)22-13-9-7-12(21)8-10-13/h3-10,22,25H,2,11H2,1H3,(H,24,26)/b23-15+"	CCOC(=O)C\\1=C(OC/C1=N\\NC(=O)C2=CC=CC=C2O)NC3=CC=C(C=C3)Br	WRDNFPGMZVYNOO-HZHRSRAPSA-N
DG68996	"Ethyl (4Z)-4-[(2-hydroxybenzoyl)hydrazono]-2-(1-naphthylamino)-4,5-dihydrofuran-3-carboxylate"	135483950	"NSC637692; CHEMBL2006864; AKOS024426520; ZINC104288528; NSC-637692; Ethyl (4Z)-4-[(2-hydroxybenzoyl)hydrazono]-2-(1-naphthylamino)-4,5-dihydrofuran-3-carboxylate; ethyl (4Z)-4-[(2-hydroxybenzoyl)hydrazono]-2-(1-naphthylamino)furan-3-carboxylate; ethyl (4Z)-4-[(2-hydroxybenzoyl)hydrazono]-2-(1-naphthylamino)-4,5-dihydro-3-furancarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637692	.	.	.	.	431.4	C24H21N3O5	109	765	5.7	32	3	7	7	"InChI=1S/C24H21N3O5/c1-2-31-24(30)21-19(26-27-22(29)17-11-5-6-13-20(17)28)14-32-23(21)25-18-12-7-9-15-8-3-4-10-16(15)18/h3-13,25,28H,2,14H2,1H3,(H,27,29)/b26-19+"	CCOC(=O)C\\1=C(OC/C1=N\\NC(=O)C2=CC=CC=C2O)NC3=CC=CC4=CC=CC=C43	GMMMRLPRVQDGQS-LGUFXXKBSA-N
DG68997	"(2Z)-N-(3-chloro-1,4-dioxo-2-naphthyl)-2-(4,7-dihydroxy-2-oxo-chromen-3-yl)-2-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]acetamide"	135483951	"NSC649826; CHEMBL2006721; NSC-649826; (2Z)-N-(3-chloro-1,4-dioxo-2-naphthyl)-2-(4,7-dihydroxy-2-oxo-chromen-3-yl)-2-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]acetamide; 1-(2-{(2Z)-2-[2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]-1-(4,7-dihydroxy-2-oxo-2H-chromen-3-yl)-2-oxoethylidene]hydrazino}-2-oxoethyl)pyridinium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	649826	.	.	.	.	609.4	C28H18Cl2N4O8	179	1110	.	42	4	10	5	"InChI=1S/C28H17ClN4O8.ClH/c29-21-23(26(38)16-7-3-2-6-15(16)25(21)37)30-27(39)22(32-31-19(35)13-33-10-4-1-5-11-33)20-24(36)17-9-8-14(34)12-18(17)41-28(20)40;/h1-12H,13H2,(H3-,30,31,32,34,35,36,37,38,39,40);1H"	C1=CC=[N+](C=C1)CC(=O)N=N/C(=C/2\\C(=O)C3=C(C=C(C=C3)O)OC2=O)/C(=O)NC4=C(C5=CC=CC=C5C(=C4Cl)O)O.[Cl-]	ZZWLNTFVXDIUAL-UHFFFAOYSA-N
DG68998	"2-((E)-2-(8-Hydroxy-5-methylquinolin-7-yl)vinyl)-1,6-dimethylquinolinium"	135483953	"NSC86371; 2-((E)-2-(8-Hydroxy-5-methylquinolin-7-yl)vinyl)-1,6-dimethylquinolinium; 2-[(E)-2-(8-Hydroxy-5-methylquinolin-7-yl)vinyl]-1,6-dimethylquinolinium; 13785-20-1; NSC 86371; Quinolinium, 2-(2-(8-hydroxy-5-methyl-7-quinolyl)vinyl)-1,6-dimethyl-, iodide; 7-[(E)-2-(1,6-dimethylquinolin-1-ium-2-yl)vinyl]-5-methyl-quinolin-8-ol; Quinolinium, 2-[2-(8-hydroxy-5-methyl-7- quinolyl)vinyl]-1,6-dimethyl- iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	86371	.	.	.	.	341.4	C23H21N2O+	37	506	5.3	26	1	2	2	"InChI=1S/C23H20N2O/c1-15-6-11-21-17(13-15)7-9-19(25(21)3)10-8-18-14-16(2)20-5-4-12-24-22(20)23(18)26/h4-14H,1-3H3/p+1"	CC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C/C3=C(C4=C(C=CC=N4)C(=C3)C)O)C	BKZBDFLHSRXTPU-UHFFFAOYSA-O
DG68999	NSC642054	135483956	"2-[(2E)-2-(2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)amino]carbonyl}-7-hydroxy-4H-chromen-4-ylidene)hydrazino]-N,N,N-trimethyl-2-oxoethanaminium chloride; NSC642054; CHEMBL2002645; NSC-642054; [2-[(2E)-2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-7-hydroxy-chromen-4-ylidene]hydrazino]-2-oxo-ethyl]-trimethyl-ammonium; 2-[(2E)-2-(2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)amino]carbonyl}-7-hydroxy-4H-chromen-4-ylidene)hydrazino]-N,N,N-trimethyl-2-oxoethanaminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642054	.	.	.	.	532	C24H26ClN5O5S	150	860	.	36	3	9	7	"InChI=1S/C24H25N5O5S.ClH/c1-5-33-15-7-9-17-21(11-15)35-24(25-17)26-23(32)20-12-18(27-28-22(31)13-29(2,3)4)16-8-6-14(30)10-19(16)34-20;/h6-12H,5,13H2,1-4H3,(H2-,25,26,27,28,30,31,32);1H"	CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C/C(=N\\NC(=O)C[N+](C)(C)C)/C4=C(O3)C=C(C=C4)O.[Cl-]	KFXAXWGKQHRZLV-UHFFFAOYSA-N
DG69000	Eriochrome Black A	135484001	"Eriochrome Black A; 3618-58-4; MORDANT BLACK 1; C.I. Acid Black 52; NSC73413; Chrome Black A; 1-Naphthalenesulfonic acid, 3-hydroxy-4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-7-nitro-, sodium salt (1:1); MFCD00054390; C.I. Mordant Black; C20H12N3O7S.Na; SCHEMBL4853053; CHEMBL2028375; DTXSID00883996; AKOS025310824; E0226; W-109915; Na 3-OH-4-[(2-OHnaphthyl)azo]-7-nitronaphthalene-1-sulphonate; sodium 1-[1-hydroxy naphthylazo]-6-nitro-2-naphthol-4-sulfonate; sodium (E)-3-hydroxy-4-((2-hydroxynaphthalen-1-yl)diazenyl)-7-nitronaphthalene-1-sulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73413	.	.	.	.	461.4	C20H12N3NaO7S	177	782	.	32	2	9	2	"InChI=1S/C20H13N3O7S.Na/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;/h1-10,24-25H,(H,28,29,30);/q;+1/p-1"	C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3O)S(=O)(=O)[O-])[N+](=O)[O-])O.[Na+]	DXRWYIKGBIPGAG-UHFFFAOYSA-M
DG69001	"(5Z)-2,9-dimethoxy-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium"	135484514	"CHEMBL344184; NSC365400; BDBM50107124; NSC-365400; 2,9-Dimethoxy-11,12-dihydro-dibenzo[c,g][1,2]diazocine 5,6-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	365400	.	.	.	.	300.31	C16H16N2O4	76	390	2.8	22	0	4	2	"InChI=1S/C16H16N2O4/c1-21-13-5-7-15-11(9-13)3-4-12-10-14(22-2)6-8-16(12)18(20)17(15)19/h5-10H,3-4H2,1-2H3/b18-17-"	COC1=CC2=C(C=C1)/[N+](=[N+](\\C3=C(CC2)C=C(C=C3)OC)/[O-])/[O-]	PSEWIQFVVLQNNL-ZCXUNETKSA-N
DG69002	"3-[4-(3-Amino-1,4-dioxidoquinoxaline-1,4-diium-2-yl)phenyl]-1,4-dioxidoquinoxaline-1,4-diium-2-amine"	135484683	NSC621724; CHEMBL1970764; NSC-621724; NCI60_006322	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621724	.	.	.	.	428.4	C22H16N6O4	154	598	-0.9	32	2	6	2	"InChI=1S/C22H16N6O4/c23-21-19(25(29)15-5-1-3-7-17(15)27(21)31)13-9-11-14(12-10-13)20-22(24)28(32)18-8-4-2-6-16(18)26(20)30/h1-12H,23-24H2"	C1=CC=C2C(=C1)[N+](=C(C(=[N+]2[O-])N)C3=CC=C(C=C3)C4=[N+](C5=CC=CC=C5[N+](=C4N)[O-])[O-])[O-]	NVQMOUOPHBTQML-UHFFFAOYSA-N
DG69003	2-Hydroxybenzaldehyde (5-ethyl-4-(2-hydroxybenzylidene)-4H-imidazol-2-yl)hydrazone	135484733	NSC697678; CHEMBL1984341; NSC-697678; 2-Hydroxybenzaldehyde (5-ethyl-4-(2-hydroxybenzylidene)-4H-imidazol-2-yl)hydrazone; 2-[(Z)-[5-ethyl-2-[(2E)-2-[(2-hydroxyphenyl)methylene]hydrazino]imidazol-4-ylidene]methyl]phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697678	.	.	.	.	334.4	C19H18N4O2	89.6	582	3.1	25	3	4	5	"InChI=1S/C19H18N4O2/c1-2-15-16(11-13-7-3-5-9-17(13)24)22-19(21-15)23-20-12-14-8-4-6-10-18(14)25/h3-12,24-25H,2H2,1H3,(H,22,23)/b16-11-,20-12+"	CCC\\1=NC(=N/C1=C\\C2=CC=CC=C2O)N/N=C/C3=CC=CC=C3O	WUELVZCJQURQGP-ULQIOQDBSA-N
DG69004	2-[(Z)-[5-ethyl-2-[(2E)-2-(2-furylmethylene)hydrazino]imidazol-4-ylidene]methyl]phenol	135484734	NSC697679; CHEMBL1980075; NSC-697679; 2-Furaldehyde (5-ethyl-4-(2-hydroxybenzylidene)-4H-imidazol-2-yl)hydrazone; 2-[(Z)-[5-ethyl-2-[(2E)-2-(2-furylmethylene)hydrazino]imidazol-4-ylidene]methyl]phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697679	.	.	.	.	308.33	C17H16N4O2	82.5	539	2.9	23	2	4	5	"InChI=1S/C17H16N4O2/c1-2-14-15(10-12-6-3-4-8-16(12)22)20-17(19-14)21-18-11-13-7-5-9-23-13/h3-11,22H,2H2,1H3,(H,20,21)/b15-10-,18-11+"	CCC\\1=NC(=N/C1=C\\C2=CC=CC=C2O)N/N=C/C3=CC=CO3	FKJSNOAIIYCSDS-ODXRKRKHSA-N
DG69005	N-[(E)-(2-hydroxyphenyl)methyleneamino]-2-[2-[[(E)-(2-hydroxyphenyl)methyleneamino]carbamoyl]anilino]benzamide	135484736	"NSC698452; CHEMBL1990045; NSC-698452; Benzoic acid, 2,2'-iminobis-, bis[[(1E)-(2-hydroxyphenyl)methylene]hydrazide]; N-[(E)-(2-hydroxyphenyl)methyleneamino]-2-[2-[[(E)-(2-hydroxyphenyl)methyleneamino]carbamoyl]anilino]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698452	.	.	.	.	493.5	C28H23N5O4	135	741	5.1	37	5	7	8	"InChI=1S/C28H23N5O4/c34-25-15-7-1-9-19(25)17-29-32-27(36)21-11-3-5-13-23(21)31-24-14-6-4-12-22(24)28(37)33-30-18-20-10-2-8-16-26(20)35/h1-18,31,34-35H,(H,32,36)(H,33,37)/b29-17+,30-18+"	C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)N/N=C/C4=CC=CC=C4O)O	NKSCVBFVBBRUIV-YAGSLNJISA-N
DG69006	"(5Z)-1-methyl-5-[[(3-methyl-2-pyridyl)amino]methylene]hexahydropyrimidine-2,4,6-trione"	135484737	"NSC698571; CHEMBL1974906; NSC-698571; NCI60_035285; (5Z)-1-methyl-5-[[(3-methyl-2-pyridyl)amino]methylene]hexahydropyrimidine-2,4,6-trione; 1-Methyl-5-(((3-methyl-2-pyridinyl)amino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	698571	.	.	.	.	260.25	C12H12N4O3	94.9	458	0.2	19	2	5	2	"InChI=1S/C12H12N4O3/c1-7-4-3-5-13-9(7)14-6-8-10(17)15-12(19)16(2)11(8)18/h3-6,18H,1-2H3,(H,15,17,19)/b14-6+"	CC1=C(N=CC=C1)/N=C/C2=C(N(C(=O)NC2=O)C)O	NVHPBGSOYDJDDO-MKMNVTDBSA-N
DG69007	"dichloro-[2,4-dichloro-6-[(E)-(2-pyridylhydrazono)methyl]phenoxy]iron"	135484778	"NSC625858; dichloro-[2,4-dichloro-6-[(E)-(2-pyridylhydrazono)methyl]phenoxy]iron"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625858	.	.	.	.	408.9	C12H9Cl4FeN3O	57.5	314	.	21	2	4	3	"InChI=1S/C12H9Cl2N3O.2ClH.Fe/c13-9-5-8(12(18)10(14)6-9)7-16-17-11-3-1-2-4-15-11;;;/h1-7,18H,(H,15,17);2*1H;/q;;;+2/p-2/b16-7+;;;"	C1=CC=NC(=C1)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)O.Cl[Fe]Cl	KEJKGFHOVKEQDG-YLIUNBTRSA-L
DG69008	NSC630988	135484793	[(E)-N-[(E)-[(2E)-2-[(Z)-[[2-(1H-imidazol-5-yl)ethylamino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel; NSC630988; N-[2-(1H-imidazol-4-yl)ethyl]-methylsulfanyl-phenyl-[ ]amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630988	.	.	.	.	466.3	C16H21N7NiS3+2	117	548	.	27	4	6	6	"InChI=1S/C16H19N7S3.Ni/c1-26-16(25)23-20-10-14(12-5-3-2-4-6-12)21-22-15(24)18-8-7-13-9-17-11-19-13;/h2-6,9-11H,7-8H2,1H3,(H,17,19)(H,23,25)(H2,18,22,24);/p+2/b20-10+,21-14-;"	CS/C(=N/N=C/C(=N/N=C(/NCCC1=CN=CN1)\\[SH2+])/C2=CC=CC=C2)/[SH2+].[Ni]	UZWOBNHQPLLGBN-ZRNOSSMRSA-P
DG69009	NSC630994	135484799	[(E)-N-[(E)-[(2E)-2-[(Z)-[(2-carboxyethylamino)-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel; NSC630994; 3-[[methylsulfanyl(phenyl)[ ]yl]amino]propanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630994	.	.	.	.	444.2	C14H19N5NiO2S3+2	126	535	.	25	4	7	6	"InChI=1S/C14H17N5O2S3.Ni/c1-24-14(23)19-16-9-11(10-5-3-2-4-6-10)17-18-13(22)15-8-7-12(20)21;/h2-6,9H,7-8H2,1H3,(H,19,23)(H,20,21)(H2,15,18,22);/p+2/b16-9+,17-11-;"	CS/C(=N/N=C/C(=N/N=C(/NCCC(=O)O)\\[SH2+])/C1=CC=CC=C1)/[SH2+].[Ni]	RVGIVTIJVYLDPU-GLLSOQDISA-P
DG69010	hydroxy-[2-methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]nickel	135484825	NSC638278; hydroxy-[2-methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]nickel	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638278	.	.	.	.	378.1	C15H17N3NiO3S	99	368	.	23	4	5	4	"InChI=1S/C15H15N3O2S.Ni.H2O/c1-20-13-9-5-6-11(14(13)19)10-16-18-15(21)17-12-7-3-2-4-8-12;;/h2-10,19H,1H3,(H2,17,18,21);;1H2/b16-10+;;"	COC1=CC=CC(=C1O)/C=N/NC(=S)NC2=CC=CC=C2.O.[Ni]	XSISQJIWVNXFDQ-CNSDMJOKSA-N
DG69011	[2-[(E)-(carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-copper	135484826	NSC638279; [2-[(E)-(carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-copper	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638279	.	.	.	.	306.83	C9H13CuN3O3S	113	256	.	17	4	5	3	"InChI=1S/C9H11N3O2S.Cu.H2O/c1-14-7-4-2-3-6(8(7)13)5-11-12-9(10)15;;/h2-5,13H,1H3,(H3,10,12,15);;1H2/b11-5+;;"	COC1=CC=CC(=C1O)/C=N/NC(=S)N.O.[Cu]	JTQYGMKXMAYCOB-JYENVBOSSA-N
DG69012	[2-[(E)-(carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-zinc	135484827	NSC638280; [2-[(E)-(carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-zinc	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638280	.	.	.	.	308.7	C9H13N3O3SZn	113	256	.	17	4	5	3	"InChI=1S/C9H11N3O2S.H2O.Zn/c1-14-7-4-2-3-6(8(7)13)5-11-12-9(10)15;;/h2-5,13H,1H3,(H3,10,12,15);1H2;/b11-5+;;"	COC1=CC=CC(=C1O)/C=N/NC(=S)N.O.[Zn]	PGUQTNQBJMQXGD-JYENVBOSSA-N
DG69013	[2-[(E)-(carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]copper; pyridine	135484832	NSC638287; [2-[(E)-(carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]copper; pyridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638287	.	.	.	.	367.92	C14H16CuN4O2S	125	284	.	22	3	5	3	"InChI=1S/C9H11N3O2S.C5H5N.Cu/c1-14-7-4-2-3-6(8(7)13)5-11-12-9(10)15;1-2-4-6-5-3-1;/h2-5,13H,1H3,(H3,10,12,15);1-5H;/b11-5+;;"	COC1=CC=CC(=C1O)/C=N/NC(=S)N.C1=CC=NC=C1.[Cu]	IKXNBLYYRPMVJZ-JYENVBOSSA-N
DG69014	[2-[(E)-(carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-palladium; pyridine	135484837	NSC638294; [2-[(E)-(carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-palladium; pyridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638294	.	.	.	.	428.8	C14H18N4O3PdS	126	287	.	23	4	6	3	"InChI=1S/C9H11N3O2S.C5H5N.H2O.Pd/c1-14-7-4-2-3-6(8(7)13)5-11-12-9(10)15;1-2-4-6-5-3-1;;/h2-5,13H,1H3,(H3,10,12,15);1-5H;1H2;/b11-5+;;;"	COC1=CC=CC(=C1O)/C=N/NC(=S)N.C1=CC=NC=C1.O.[Pd]	GLBAEZXYWNGBIX-WVYPJBOLSA-N
DG69015	"[2-[(E)-(carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-nickel; 1,10-phenanthroline"	135484843	"NSC638300; [2-[(E)-(carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-nickel; 1,10-phenanthroline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638300	.	.	.	.	482.2	C21H21N5NiO3S	139	438	.	31	4	7	3	"InChI=1S/C12H8N2.C9H11N3O2S.Ni.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-14-7-4-2-3-6(8(7)13)5-11-12-9(10)15;;/h1-8H;2-5,13H,1H3,(H3,10,12,15);;1H2/b;11-5+;;"	COC1=CC=CC(=C1O)/C=N/NC(=S)N.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.O.[Ni]	PREFGMKXXZRLIZ-UQSXJQFXSA-N
DG69016	[2-[(E)-(carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-copper; 2-(2-pyridyl)pyridine	135484845	NSC638302; [2-[(E)-(carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-copper; 2-(2-pyridyl)pyridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638302	.	.	.	.	463	C19H21CuN5O3S	139	375	.	29	4	7	4	"InChI=1S/C10H8N2.C9H11N3O2S.Cu.H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-14-7-4-2-3-6(8(7)13)5-11-12-9(10)15;;/h1-8H;2-5,13H,1H3,(H3,10,12,15);;1H2/b;11-5+;;"	COC1=CC=CC(=C1O)/C=N/NC(=S)N.C1=CC=NC(=C1)C2=CC=CC=N2.O.[Cu]	UJHKBINWCMXXCY-UQSXJQFXSA-N
DG69017	NSC638305	135484847	"1-(7-Methoxy-5-oxa-3$l^{5}-aza-4$l^{2}-nickelabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-3-yl)-3-phenyl-thiourea; 2-(2-pyridyl)pyridine; NSC638305; 1-(7-methoxy-5-oxa-3$l^{5}-aza-4$l^{2}-nickelabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-3-yl)-3-phenyl-thiourea; 2-(2-pyridyl)pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638305	.	.	.	.	516.2	C25H23N5NiO2S	124	485	.	34	3	6	4	"InChI=1S/C15H15N3O2S.C10H8N2.Ni/c1-20-13-9-5-6-11(14(13)19)10-16-18-15(21)17-12-7-3-2-4-8-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2-10,19H,1H3,(H2,17,18,21);1-8H;/b16-10+;;"	COC1=CC=CC(=C1O)/C=N/NC(=S)NC2=CC=CC=C2.C1=CC=NC(=C1)C2=CC=CC=N2.[Ni]	SKAYENWSZQEEAN-CNSDMJOKSA-N
DG69018	[2-methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]copper; 2-(2-pyridyl)pyridine	135484849	NSC638307; [2-methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]copper; 2-(2-pyridyl)pyridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638307	.	.	.	.	521.1	C25H23CuN5O2S	124	485	.	34	3	6	5	"InChI=1S/C15H15N3O2S.C10H8N2.Cu/c1-20-13-9-5-6-11(14(13)19)10-16-18-15(21)17-12-7-3-2-4-8-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2-10,19H,1H3,(H2,17,18,21);1-8H;/b16-10+;;"	COC1=CC=CC(=C1O)/C=N/NC(=S)NC2=CC=CC=C2.C1=CC=NC(=C1)C2=CC=CC=N2.[Cu]	WDLMUJYIQVSFNM-CNSDMJOKSA-N
DG69019	1-ethyl-3-[(E)-(2-hydroxy-5-nitro-phenyl)methyleneamino]thiourea	135484931	NSC673835; CHEMBL1999852; NSC-673835; 1-ethyl-3-[(E)-(2-hydroxy-5-nitro-phenyl)methyleneamino]thiourea; 2-Hydroxy-5-(hydroxy(oxido)amino)benzaldehyde N-ethylthiosemicarbazone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673835	.	.	.	.	268.29	C10H12N4O3S	135	332	1.4	18	3	5	3	"InChI=1S/C10H12N4O3S/c1-2-11-10(18)13-12-6-7-5-8(14(16)17)3-4-9(7)15/h3-6,15H,2H2,1H3,(H2,11,13,18)/b12-6+"	CCNC(=S)N/N=C/C1=C(C=CC(=C1)[N+](=O)[O-])O	RBMLXWGQAMURNK-WUXMJOGZSA-N
DG69020	2-Hydroxy-5-methoxybenzaldehyde N-ethylthiosemicarbazone	135484933	NSC673834; 2-Hydroxy-5-methoxybenzaldehyde N-ethylthiosemicarbazone; CHEMBL1971279; SALOR-INT L237426-1EA; AKOS024408305; NSC-673834; 1-ethyl-3-[(E)-(2-hydroxy-5-methoxy-phenyl)methyleneamino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673834	.	.	.	.	253.32	C11H15N3O2S	98	273	1.6	17	3	4	4	"InChI=1S/C11H15N3O2S/c1-3-12-11(17)14-13-7-8-6-9(16-2)4-5-10(8)15/h4-7,15H,3H2,1-2H3,(H2,12,14,17)/b13-7+"	CCNC(=S)N/N=C/C1=C(C=CC(=C1)OC)O	YSWOYAQZHSHQOG-NTUHNPAUSA-N
DG69021	"1,1-diethyl-3-[(E)-(2-hydroxy-5-methoxy-phenyl)methyleneamino]thiourea"	135484935	"NSC673836; CHEMBL1989314; NSC-673836; 2-Hydroxy-5-methoxybenzaldehyde N,N-diethylthiosemicarbazone; 1,1-diethyl-3-[(E)-(2-hydroxy-5-methoxy-phenyl)methyleneamino]thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673836	.	.	.	.	281.38	C13H19N3O2S	89.2	308	2.1	19	2	4	5	"InChI=1S/C13H19N3O2S/c1-4-16(5-2)13(19)15-14-9-10-8-11(18-3)6-7-12(10)17/h6-9,17H,4-5H2,1-3H3,(H,15,19)/b14-9+"	CCN(CC)C(=S)N/N=C/C1=C(C=CC(=C1)OC)O	VCCRJRGPJNJTDH-NTEUORMPSA-N
DG69022	"1,1-diethyl-3-[(E)-(2-hydroxy-5-nitro-phenyl)methyleneamino]thiourea"	135484937	"NSC673837; CHEMBL1985852; NSC-673837; 1,1-diethyl-3-[(E)-(2-hydroxy-5-nitro-phenyl)methyleneamino]thiourea; 2-Hydroxy-5-(hydroxy(oxido)amino)benzaldehyde N,N-diethylthiosemicarbazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673837	.	.	.	.	296.35	C12H16N4O3S	126	368	2	20	2	5	4	"InChI=1S/C12H16N4O3S/c1-3-15(4-2)12(20)14-13-8-9-7-10(16(18)19)5-6-11(9)17/h5-8,17H,3-4H2,1-2H3,(H,14,20)/b13-8+"	CCN(CC)C(=S)N/N=C/C1=C(C=CC(=C1)[N+](=O)[O-])O	IQMMBBBHPAXETL-MDWZMJQESA-N
DG69023	N'-(2-Hydroxy-5-methoxybenzylidene)-1-piperidinecarbothiohydrazide	135484939	NSC689529; CHEMBL1965986; NSC-689529; N'-(2-Hydroxy-5-methoxybenzylidene)-1-piperidinecarbothiohydrazide; N-[(E)-(2-hydroxy-5-methoxy-phenyl)methyleneamino]piperidine-1-carbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689529	.	.	.	.	293.39	C14H19N3O2S	89.2	345	2.2	20	2	4	3	"InChI=1S/C14H19N3O2S/c1-19-12-5-6-13(18)11(9-12)10-15-16-14(20)17-7-3-2-4-8-17/h5-6,9-10,18H,2-4,7-8H2,1H3,(H,16,20)/b15-10+"	COC1=CC(=C(C=C1)O)/C=N/NC(=S)N2CCCCC2	ZZLKTDDOQDUTNM-XNTDXEJSSA-N
DG69024	N'-(2-Hydroxy-5-(hydroxy(oxido)amino)benzylidene)-1-piperidinecarbothiohydrazide	135484941	NSC689530; CHEMBL1969754; NSC-689530; N-[(E)-(2-hydroxy-5-nitro-phenyl)methyleneamino]piperidine-1-carbothioamide; N'-(2-Hydroxy-5-(hydroxy(oxido)amino)benzylidene)-1-piperidinecarbothiohydrazide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689530	.	.	.	.	308.36	C13H16N4O3S	126	407	2.1	21	2	5	2	"InChI=1S/C13H16N4O3S/c18-12-5-4-11(17(19)20)8-10(12)9-14-15-13(21)16-6-2-1-3-7-16/h4-5,8-9,18H,1-3,6-7H2,(H,15,21)/b14-9+"	C1CCN(CC1)C(=S)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])O	VSBGCTLSYZTBDP-NTEUORMPSA-N
DG69025	"2,5-Diamino-6-[2-(phosphonomethoxy)ethylamino]pyrimidine-4(3H)-one"	135484993	"NSC683330; CHEMBL105746; ZINC8665825; NSC-683330; NCI60_029854; 2,5-Diamino-6-[2-(phosphonomethoxy)ethylamino]pyrimidine-4(3H)-one; 2,5-Diamino-6-{N-[2-(phosphonomethoxy)ethyl]amino}pyrimidin-4(3H)-one; 2-[(2,5-diamino-6-hydroxy-pyrimidin-4-yl)amino]ethoxymethylphosphonic acid; 2-[(2,5-diamino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxymethylphosphonic acid; (2-((2,5-Diamino-6-hydroxy-4-pyrimidinyl)amino)ethoxy)methylphosphonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683330	.	.	.	.	279.19	C7H14N5O5P	172	442	-3.5	18	6	8	6	"InChI=1S/C7H14N5O5P/c8-4-5(11-7(9)12-6(4)13)10-1-2-17-3-18(14,15)16/h1-3,8H2,(H2,14,15,16)(H4,9,10,11,12,13)"	C(COCP(=O)(O)O)NC1=C(C(=O)NC(=N1)N)N	OQZJUTCBVYTWKE-UHFFFAOYSA-N
DG69026	"(4Z)-4-[(4-chlorophenyl)methylene]-2-[(2E)-2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazino]-1H-imidazol-5-one"	135484999	"NSC685272; NSC685268; NSC685276; DTXSID50424292; 208113-41-1; (4Z)-4-[(4-chlorophenyl)methylene]-2-[(2E)-2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazino]-1H-imidazol-5-one; 5-(4-Chloro-benzylidene)-2-[N'-(2,3,4,5,6-pentahydroxy-hexylidene)-hydrazino]-3,5-dihydro-imidazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685272	.	.	.	.	398.8	C16H19ClN4O6	167	606	-0.8	27	7	8	8	"InChI=1S/C16H19ClN4O6/c17-9-3-1-8(2-4-9)5-10-15(27)20-16(19-10)21-18-6-11(23)13(25)14(26)12(24)7-22/h1-6,11-14,22-26H,7H2,(H2,19,20,21,27)/b10-5-,18-6+"	C1=CC(=CC=C1/C=C\\2/C(=O)NC(=N2)N/N=C/C(C(C(C(CO)O)O)O)O)Cl	FBQZTHBJNAZPRM-XWXHXNOOSA-N
DG69027	"5-(3-Bromophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one"	135485485	"NSC678393; 5-(3-Bromophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one; 3-(3-bromophenyl)-1,4-dihydro-1,2,4-triazol-5-one; 57508-64-2; TimTec1_000115; CHEMBL1978042; HMS1534F05; ZINC6511586; AKOS013585938; NSC-678393; NCI60_028066; 5-(3-bromophenyl)-4H-1,2,4-triazol-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678393	.	.	.	.	240.06	C8H6BrN3O	53.5	254	1.5	13	2	2	1	"InChI=1S/C8H6BrN3O/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)"	C1=CC(=CC(=C1)Br)C2=NNC(=O)N2	MOWCNQAKRIHBCM-UHFFFAOYSA-N
DG69028	"N'-(2,4-dihydroxybenzylidene)nicotinohydrazide"	135488764	"NSC268690; carbohydrazide derivative, 3a; Nicotinic acid (2,4-dihydroxy-benzylidene)-hydrazide; CHEMBL200798; SCHEMBL10049963; BDBM31918; STK088144; ZINC17062589; AKOS000578939; NSC-268690; N'-(2,4-dihydroxybenzylidene)nicotinohydrazide; 3-Pyridinecarboxylic acid,4-dihydroxyphenyl)methylene]hydrazide; N'-[(E)-(2,4-dihydroxyphenyl)methylidene]pyridine-3-carbohydrazide; 303774-56-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	268690	.	.	.	.	257.24	C13H11N3O3	94.8	335	1.1	19	3	5	3	"InChI=1S/C13H11N3O3/c17-11-4-3-9(12(18)6-11)8-15-16-13(19)10-2-1-5-14-7-10/h1-8,17-18H,(H,16,19)/b15-8+"	C1=CC(=CN=C1)C(=O)N/N=C/C2=C(C=C(C=C2)O)O	YKUFPSNDHXRMFP-OVCLIPMQSA-N
DG69029	2-[[4-[[(2-amino-4-oxo-3H-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid	135488820	"NSC-289517; CHEMBL36739; BDBM50405649; NSC289517; NCI60_002374; L-Glutamic acid,4-dihydro-4-oxo- 6-quinazolinyl)amino]methyl]benzoyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	289517	.	.	.	.	439.4	C21H21N5O6	183	764	0.4	32	6	8	9	"InChI=1S/C21H21N5O6/c22-21-25-15-6-5-13(9-14(15)19(30)26-21)23-10-11-1-3-12(4-2-11)18(29)24-16(20(31)32)7-8-17(27)28/h1-6,9,16,23H,7-8,10H2,(H,24,29)(H,27,28)(H,31,32)(H3,22,25,26,30)"	C1=CC(=CC=C1CNC2=CC3=C(C=C2)N=C(NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O	MXBUWHDMZGKTHK-UHFFFAOYSA-N
DG69030	Stilbenavir	135488929	"NSC34931; UNII-94I44T9T1Z; 94I44T9T1Z; 6962-42-1; Stilbenavir; 1-Naphthalenesulfonic acid, 3,3'-((E)-1,2-ethenediylbis((3-sulfo-4,1-phenylene)azo))bis(4-hydroxy-, tetrasodium salt; 1-Naphthalenesulfonic acid, 3,3'-[(E)-1,2-ethenediylbis[(3-sulfo-4,1-phenylene)azo]]bis[4-hydroxy-, tetrasodium salt; NSC 34931; Sodium 3,3'-((ethene-1,2-diylbis(3-sulfonato-4,1-phenylene))bis(diazene-2,1-diyl))bis(4-hydroxynaphthalene-1-sulfonate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34931	.	.	.	.	928.8	C34H20N4Na4O14S4	352	1730	.	60	2	18	6	"InChI=1S/C34H24N4O14S4.4Na/c39-33-25-7-3-1-5-23(25)31(55(47,48)49)17-27(33)37-35-21-13-11-19(29(15-21)53(41,42)43)9-10-20-12-14-22(16-30(20)54(44,45)46)36-38-28-18-32(56(50,51)52)24-6-2-4-8-26(24)34(28)40;;;;/h1-18,39-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4/b10-9+,37-35 ,38-36 ;;;;"	C1=CC=C2C(=C1)C(=CC(=C2O)N=NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]	YWGGHOBXKXWDHQ-NAGDPKSWSA-J
DG69031	Sodium;3-hydroxy-4-[(1-hydroxynaphthalen-2-yl)diazenyl]-8-nitronaphthalene-1-sulfonate	135488931	NSC85561; 518-88-7; CHEMBL2028324; SCHEMBL11283539	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85561	.	.	.	.	461.4	C20H12N3NaO7S	177	782	.	32	2	9	2	"InChI=1S/C20H13N3O7S.Na/c24-16-10-17(31(28,29)30)18-13(6-3-7-15(18)23(26)27)19(16)22-21-14-9-8-11-4-1-2-5-12(11)20(14)25;/h1-10,24-25H,(H,28,29,30);/q;+1/p-1"	C1=CC=C2C(=C1)C=CC(=C2O)N=NC3=C4C=CC=C(C4=C(C=C3O)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]	IDNOXTZGTFLLPH-UHFFFAOYSA-M
DG69032	"5-[(E)-2-(1,6-dimethylquinolin-1-ium-2-yl)ethenyl]quinolin-8-ol"	135488932	"NSC85700; 6759-89-3; CHEMBL2010038; DTXSID50986946; ZINC4900201; CCG-35332; 5-[2-(1,6-Dimethylquinolin-2(1H)-ylidene)ethylidene]-8-oxo-5,8-dihydroquinolin-1-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85700	.	.	.	.	327.4	C22H19N2O+	37	479	4.9	25	1	2	2	"InChI=1S/C22H18N2O/c1-15-5-11-20-17(14-15)7-10-18(24(20)2)9-6-16-8-12-21(25)22-19(16)4-3-13-23-22/h3-14H,1-2H3/p+1"	CC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C/C3=C4C=CC=NC4=C(C=C3)O)C	OCZQEOWNYSRLIQ-UHFFFAOYSA-O
DG69033	MeTHHF disodium	135488934	"NSC139490; MeTHHF disodium; Emfolin sodium; MTHHF; Methyltetrahydrohomofolate; NSC 139490; CHEMBL1972421; SCHEMBL14028491; NSC-139490; FT-0772629; 5-Methyltetrahydrohomofolic acid, disodium salt; 5-Methyl-tetrahydrohomofolic acid, disodium salt; Homofolic acid,6,7,8-tetrahydro-5-methyl-, sodium salt; Glutamic acid,6,7,8-tetrahydro- 4-hydroxy-5-methyl-6-pteridinyl)ethyl]amino]benzoyl]-, L-; L-Glutamic acid,4,5,6,7,8-hexahydro- 5-methyl-4-oxo-6-pteridinyl)ethyl]amino]benzoyl]-, disodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	139490	.	.	.	.	473.5	C21H27N7O6	199	881	-0.1	34	7	10	10	"InChI=1S/C21H27N7O6/c1-28-13(10-24-17-16(28)19(32)27-21(22)26-17)8-9-23-12-4-2-11(3-5-12)18(31)25-14(20(33)34)6-7-15(29)30/h2-5,13-14,23H,6-10H2,1H3,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)"	CN1C(CNC2=C1C(=O)NC(=N2)N)CCNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	KCPBTDJBDDCNQE-UHFFFAOYSA-N
DG69034	Paulomycin A	135488940	"Paulomycin A; NSC356207; 81988-77-4; CHEMBL1970491; NSC-356207; 1-Cyclohexene-1-carboxylic acid,6-dideoxy-3-O-methyl-4-C-[[S(S)] -1-(2-methyl-1-oxobutoxy)ethyl]-.alpha.-L-lyxo-hexo pyranosyl]-4-O-[(Z)-2-isothiocyanato-1-oxo-2-butenyl] -.beta.-D-allopyranosyl]-2-amino-5-hydroxy-3,6-dioxo-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	356207	.	.	.	.	786.8	C34H46N2O17S	319	1610	1.3	54	6	20	17	"InChI=1S/C34H46N2O17S/c1-8-14(3)31(43)50-16(5)34(46)15(4)49-22(10-21(34)47-7)52-27-25(39)29(33(45)11-19(38)24(35)23(28(33)40)30(41)42)51-20(12-48-17(6)37)26(27)53-32(44)18(9-2)36-13-54/h9,14-16,20-22,25-27,29,35,39-40,45-46H,8,10-12H2,1-7H3,(H,41,42)/b18-9-,35-24 /t14-,15 ,16+,20 ,21 ,22 ,25 ,26 ,27 ,29 ,33-,34 /m0/s1"	CC[C@H](C)C(=O)O[C@H](C)C1(C(OC(CC1OC)OC2C(C(OC(C2OC(=O)/C(=C/C)/N=C=S)COC(=O)C)[C@@]3(CC(=O)C(=N)C(=C3O)C(=O)O)O)O)C)O	VVGJRYRHYMYFCV-XHKDYZAQSA-N
DG69035	"1,5-Bis[[3-(diethylaminomethyl)-4-hydroxyphenyl]diazenyl]naphthalene-2,6-diol;hydrochloride"	135488941	NSC359463; CHEMBL1977674; NSC-359463	.	.	Investigative Drug(s)	Investigative	Small molecular drug	359463	.	.	.	.	607.1	C32H39ClN6O4	137	787	.	43	5	10	12	"InChI=1S/C32H38N6O4.ClH/c1-5-37(6-2)19-21-17-23(9-13-27(21)39)33-35-31-25-11-16-30(42)32(26(25)12-15-29(31)41)36-34-24-10-14-28(40)22(18-24)20-38(7-3)8-4;/h9-18,39-42H,5-8,19-20H2,1-4H3;1H"	CCN(CC)CC1=C(C=CC(=C1)N=NC2=C(C=CC3=C2C=CC(=C3N=NC4=CC(=C(C=C4)O)CN(CC)CC)O)O)O.Cl	VHSOHIAMEYXOOK-UHFFFAOYSA-N
DG69036	"3-(2-N,2,4-benzotriazine 1,4-dioxide . Hydrochloride"	135488943	"NSC628918; SCHEMBL6370107; CHEMBL1975730; CCG-35613; NSC-628918; 3-(2-N,2,4- benzotriazine 1,4-dioxide . Hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628918	.	.	.	.	358.78	C13H19ClN6O4	125	391	.	24	2	7	6	"InChI=1S/C13H18N6O4.ClH/c1-3-16(4-2)8-7-14-13-15-18(21)12-9-10(19(22)23)5-6-11(12)17(13)20;/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15);1H"	CCN(CC)CCNC1=[N+](C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=N1)[O-])[O-].Cl	XESIUBQYNOEKJA-UHFFFAOYSA-N
DG69037	NSC640335	135488945	"5-[(E)-C-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-N-(2,4-dinitroanilino)carbonimidoyl]-N-(3,4-dichlorophenyl)-4-methyl-thiazol-2-amine; NSC640335; MLS002702808; CHEMBL1989523; 2-Propen-1-one, 1-[2-[(3,4-dichlorophenyl)amino]- 4-methyl-5-thiazolyl]-3-(5-benzodioxolyl)-, (2,4-nitrophenyl)hydrazone; ZINC8653405; CCG-35482; NSC-640335; 2-Propen-1-one,4-dichlorophenyl)amino]- 4-methyl-5-thiazolyl]-3-(5-benzodioxolyl)-, (2,4-nitrophenyl)hydrazone; 5-[(E)-C-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-N-(2,4-dinitroanilino)carbonimidoyl]-N-(3,4-dichlorophenyl)-4-methyl-thiazol-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640335	.	.	.	.	613.4	C26H18Cl2N6O6S	188	1000	8.8	41	2	11	7	"InChI=1S/C26H18Cl2N6O6S/c1-14-25(41-26(29-14)30-16-4-6-18(27)19(28)11-16)21(7-2-15-3-9-23-24(10-15)40-13-39-23)32-31-20-8-5-17(33(35)36)12-22(20)34(37)38/h2-12,31H,13H2,1H3,(H,29,30)/b7-2+,32-21+"	CC1=C(SC(=N1)NC2=CC(=C(C=C2)Cl)Cl)/C(=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])/C=C/C4=CC5=C(C=C4)OCO5	XMVYWVBUSJUSOT-BPWRLLBASA-N
DG69038	"5-[(E)-2-(3-methyl-1,3-benzoselenazol-3-ium-2-yl)ethenyl]quinolin-8-ol;iodide"	135488972	NSC86374; NSC-86374; CHEMBL1995886; 6759-86-0	.	.	Investigative Drug(s)	Investigative	Small molecular drug	86374	.	.	.	.	493.2	C19H15IN2OSe	37	443	.	24	1	3	2	"InChI=1S/C19H14N2OSe.HI/c1-21-15-6-2-3-7-17(15)23-18(21)11-9-13-8-10-16(22)19-14(13)5-4-12-20-19;/h2-12H,1H3;1H"	C[N+]1=C([Se]C2=CC=CC=C21)/C=C/C3=C4C=CC=NC4=C(C=C3)O.[I-]	KKUUBLFKYBRSPH-UHFFFAOYSA-N
DG69039	"2,6-Dimethyl-5-(4-nitropiperazin-1-yl)pyrimidin-4-ol"	135489784	"NSC673105; CHEMBL1998442; NSC-673105; NCI60_025884; 2,6-dimethyl-5-(4-nitropiperazin-1-yl)pyrimidin-4-ol; 5-(4-(Hydroxy(oxido)amino)-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673105	.	.	.	.	253.26	C10H15N5O3	93.8	443	0.2	18	1	6	1	"InChI=1S/C10H15N5O3/c1-7-9(10(16)12-8(2)11-7)13-3-5-14(6-4-13)15(17)18/h3-6H2,1-2H3,(H,11,12,16)"	CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)[N+](=O)[O-]	MUFPQKPNCOHJIG-UHFFFAOYSA-N
DG69040	"Diethyl 2-(((4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinyl)carbonyl)amino)pentanedioate"	135489785	"NSC673106; CHEMBL1982606; NSC-673106; Diethyl 2-(((4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinyl)carbonyl)amino)pentanedioate; NCI60_025885; diethyl 2-[[4-(4-hydroxy-2,6-dimethyl-pyrimidin-5-yl)piperazine-1-carbonyl]amino]pentanedioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673106	.	.	.	.	437.5	C20H31N5O6	130	770	0	31	2	8	10	"InChI=1S/C20H31N5O6/c1-5-30-16(26)8-7-15(19(28)31-6-2)23-20(29)25-11-9-24(10-12-25)17-13(3)21-14(4)22-18(17)27/h15H,5-12H2,1-4H3,(H,23,29)(H,21,22,27)"	CCOC(=O)CCC(C(=O)OCC)NC(=O)N1CCN(CC1)C2=C(N=C(NC2=O)C)C	UCTNMOCCFFBWEJ-UHFFFAOYSA-N
DG69041	"1H-Dipyrazolo[1,3'-e]pyrimidine-3,4,7-triamine, 6-[(4-bromophenyl)azo]-"	135489789	"NSC673841; CHEMBL2001597; ZINC16958749; ZINC104222148; NSC-673841; NCI60_026151; 1H-Dipyrazolo[1,3'-e]pyrimidine-3,4,7-triamine, 6-[(4-bromophenyl)azo]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673841	.	.	.	.	387.2	C13H11BrN10	162	483	2.3	24	4	8	2	"InChI=1S/C13H11BrN10/c14-5-1-3-6(4-2-5)19-20-8-11(17)23-24-12-7(10(16)21-22-12)9(15)18-13(8)24/h1-4H,(H2,15,18)(H2,17,23)(H3,16,21,22)"	C1=CC(=CC=C1N=NC2=C3N=C(C4=C(NN=C4N3N=C2N)N)N)Br	WYGLQHIDFTVCHM-UHFFFAOYSA-N
DG69042	"3H-pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4-one"	135489792	"NSC675864; 3H-pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4-one; 55557-50-1; CHEMBL1993673; SCHEMBL11477966; NSC-675864; NCI60_026784; pyrido[[ ]:[ ]]thieno[[ ]]triazin-4-ol; Pyrido[3',2':4,5]thieno[3,2-d]-1,2,3-triazin-4-ol; 4-Hydroxy-1,2,3-triazino[4',5'-4,5]thiopheno[2,3-b]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	675864	.	.	.	.	204.21	C8H4N4OS	95	295	2	14	1	5	0	"InChI=1S/C8H4N4OS/c13-7-6-5(10-12-11-7)4-2-1-3-9-8(4)14-6/h1-3H,(H,10,11,13)"	C1=CC2=C(N=C1)SC3=C2N=NNC3=O	SFJDUWWRDKUTSA-UHFFFAOYSA-N
DG69043	NSC676767	135489796	"1',3',10-Trihydroxy-6'-methoxy-3-pentylspiro[2,6,7,8-tetrahydrobenzo[g]isoquinoline-9,2'-cyclopenta[b]naphthalene]-1,4',5',8',9'-pentone; NSC676767; CHEMBL2005456; NSC-676767; NCI60_027225"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676767	.	.	.	.	557.5	C31H27NO9	167	1470	5	41	4	9	5	"InChI=1S/C31H27NO9/c1-3-4-5-8-15-11-14-10-13-7-6-9-31(23(13)27(37)18(14)30(40)32-15)28(38)21-22(29(31)39)26(36)20-19(25(21)35)16(33)12-17(41-2)24(20)34/h10-12,37-39H,3-9H2,1-2H3,(H,32,40)"	CCCCCC1=CC2=CC3=C(C(=C2C(=O)N1)O)C4(CCC3)C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=O)C=C(C6=O)OC)O	NDQUDQSYCIBFNP-UHFFFAOYSA-N
DG69044	NSC676769	135489797	"1',3',9-trihydroxy-6'-methoxy-3-pentylspiro[6,7-dihydro-2H-cyclopenta[g]isoquinoline-8,2'-cyclopenta[b]naphthalene]-1,4',5',8',9'-pentone; NSC676769; CHEMBL1985141; SCHEMBL11985656; NSC-676769; NCI60_027227"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676769	.	.	.	.	543.5	C30H25NO9	167	1460	4.5	40	4	9	5	"InChI=1S/C30H25NO9/c1-3-4-5-6-14-10-13-9-12-7-8-30(22(12)26(36)17(13)29(39)31-14)27(37)20-21(28(30)38)25(35)19-18(24(20)34)15(32)11-16(40-2)23(19)33/h9-11,36-38H,3-8H2,1-2H3,(H,31,39)"	CCCCCC1=CC2=CC3=C(C(=C2C(=O)N1)O)C4(CC3)C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=O)C=C(C6=O)OC)O	MSWWWJNQMUSUSF-UHFFFAOYSA-N
DG69045	"5-(2-Naphthyl)-2,4-dihydro-3H-1,2,4-triazol-3-one"	135489805	"NSC678396; 5-(2-Naphthyl)-2,4-dihydro-3H-1,2,4-triazol-3-one; CHEMBL1993312; AKOS013586347; NSC-678396; NCI60_028069; 3-(2-naphthyl)-1,4-dihydro-1,2,4-triazol-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678396	.	.	.	.	211.22	C12H9N3O	53.5	326	2.1	16	2	2	1	"InChI=1S/C12H9N3O/c16-12-13-11(14-15-12)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,13,14,15,16)"	C1=CC=C2C=C(C=CC2=C1)C3=NNC(=O)N3	WLTSTVVKCGAHLO-UHFFFAOYSA-N
DG69046	"3-(4-Methyl-3-nitro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one"	135489806	"NSC678397; CHEMBL1990089; NSC-678397; NCI60_028070; 3-(4-methyl-3-nitro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one; 5-(3-(Hydroxy(oxido)amino)-4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678397	.	.	.	.	220.18	C9H8N4O3	99.3	349	1	16	2	4	1	"InChI=1S/C9H8N4O3/c1-5-2-3-6(4-7(5)13(15)16)8-10-9(14)12-11-8/h2-4H,1H3,(H2,10,11,12,14)"	CC1=C(C=C(C=C1)C2=NNC(=O)N2)[N+](=O)[O-]	KWTLTDRPAOTUIS-UHFFFAOYSA-N
DG69047	2-(Benzylthio)-6-(4-ethylanilino)-4-pyrimidinol	135489816	NSC680820; 2-(Benzylthio)-6-(4-ethylanilino)-4-pyrimidinol; CHEMBL1985119; NSC-680820; NCI60_028832; 2-benzylsulfanyl-6-(4-ethylanilino)pyrimidin-4-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680820	.	.	.	.	337.4	C19H19N3OS	78.8	489	4.3	24	2	4	6	"InChI=1S/C19H19N3OS/c1-2-14-8-10-16(11-9-14)20-17-12-18(23)22-19(21-17)24-13-15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H2,20,21,22,23)"	CCC1=CC=C(C=C1)NC2=CC(=O)NC(=N2)SCC3=CC=CC=C3	UWMYWYLHHZMIDO-UHFFFAOYSA-N
DG69048	NSC681173	135489820	"2-chloro-4-[[5-chloro-4-[(4-methylphenyl)carbamoyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]phenyl]disulfanyl]-N-(4-methylphenyl)-5-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]benzamide; NSC681173; CHEMBL1969319; ZINC195486986; NSC-681173; NCI60_028989"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681173	.	.	.	.	877.8	C32H26Cl2N10O8S4	325	1660	4.1	56	8	12	13	"InChI=1S/C32H26Cl2N10O8S4/c1-15-3-7-17(8-4-15)35-27(45)19-11-25(55(49,50)43-29-37-31(47)41-39-29)23(13-21(19)33)53-54-24-14-22(34)20(28(46)36-18-9-5-16(2)6-10-18)12-26(24)56(51,52)44-30-38-32(48)42-40-30/h3-14H,1-2H3,(H,35,45)(H,36,46)(H3,37,39,41,43,47)(H3,38,40,42,44,48)"	CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)SSC3=C(C=C(C(=C3)Cl)C(=O)NC4=CC=C(C=C4)C)S(=O)(=O)NC5=NNC(=O)N5)S(=O)(=O)NC6=NNC(=O)N6	FRDWEFAPQBAWTA-UHFFFAOYSA-N
DG69049	"2-(4-Toluidino)-7H-pyrrolo[2,3-d]pyrimidin-4-ol"	135489824	"NSC681693; CHEMBL2002683; NSC-681693; NCI60_029186; 2-(4-Toluidino)-7H-pyrrolo[2,3-d]pyrimidin-4-ol; 2-(4-methylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681693	.	.	.	.	240.26	C13H12N4O	69.3	360	1.6	18	3	2	2	"InChI=1S/C13H12N4O/c1-8-2-4-9(5-3-8)15-13-16-11-10(6-7-14-11)12(18)17-13/h2-7H,1H3,(H3,14,15,16,17,18)"	CC1=CC=C(C=C1)NC2=NC3=C(C=CN3)C(=O)N2	WSKWDAYGTDAGEA-UHFFFAOYSA-N
DG69050	"(2Z)-1-(4-chlorophenyl)-2-[(3Z)-3-[2-(4-chlorophenyl)-2-oxo-ethylidene]-6-nitro-1,4-dihydroquinoxalin-2-ylidene]ethanone"	135489835	"NSC682583; CBDivE_014984; C24H15Cl2N3O4; CHEMBL1970906; STK837042; AKOS005624425; AKOS024363387; MCULE-6491692323; NSC-682583; NCI60_029584; (2Z)-1-(4-chlorophenyl)-2-[(3Z)-3-[2-(4-chlorophenyl)-2-oxo-ethylidene]-6-nitro-1,4-dihydroquinoxalin-2-ylidene]ethanone; (2Z,2'E)-2,2'-(6-nitro-1,4-dihydroquinoxaline-2,3-diylidene)bis[1-(4-chlorophenyl)ethanone]; 370072-74-5; Ethanone, 2,2'-(1,4-dihydro-6-nitro-2,3-quinoxalinediylidene)bis[1-(4-chlorophenyl)-, (2Z,2'Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682583	.	.	.	.	480.3	C24H15Cl2N3O4	112	743	5.8	33	2	6	4	"InChI=1S/C24H15Cl2N3O4/c25-16-5-1-14(2-6-16)23(30)12-21-22(13-24(31)15-3-7-17(26)8-4-15)28-20-11-18(29(32)33)9-10-19(20)27-21/h1-13,30-31H/b23-12-,24-13-"	C1=CC(=CC=C1/C(=C/C2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2/C=C(/C4=CC=C(C=C4)Cl)\\O)/O)Cl	BZHRXDOBVMVKBT-KBZHBASMSA-N
DG69051	"2-(2,3-Dimethoxyphenyl)quinazoline-4(3H)-one"	135489849	"CHEMBL342882; NSC684365; SCHEMBL7674037; ZINC1649768; BDBM50473011; NSC-684365; NCI60_030307; 2-(2',3'-dimethoxyphenyl)-4-quinazolinone; 2-(2,3-dimethoxyphenyl)-3H-quinazolin-4-one; 2-(2,3-Dimethoxyphenyl)quinazoline-4(3H)-one; 2-(2,3-Dimethoxyphenyl)-3-hydroquinazolin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684365	.	.	.	.	282.29	C16H14N2O3	59.9	424	2.3	21	1	4	3	"InChI=1S/C16H14N2O3/c1-20-13-9-5-7-11(14(13)21-2)15-17-12-8-4-3-6-10(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)"	COC1=CC=CC(=C1OC)C2=NC3=CC=CC=C3C(=O)N2	ZJESQUBQQBRCGG-UHFFFAOYSA-N
DG69052	2-(3-Iminobenzo[f]chromen-2-yl)quinazolin-4-ol	135489852	NSC684976; Oprea1_088263; CHEMBL1989486; NSC-684976; NCI60_030557; 2-(3-iminobenzo[f]chromen-2-yl)quinazolin-4-ol; 2-(3-Imino-3H-benzo[f]chromen-2-yl)-4-quinazolinol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684976	.	.	.	.	339.3	C21H13N3O2	74.5	683	3.9	26	2	4	1	"InChI=1S/C21H13N3O2/c22-19-16(20-23-17-8-4-3-7-14(17)21(25)24-20)11-15-13-6-2-1-5-12(13)9-10-18(15)26-19/h1-11,22H,(H,23,24,25)"	C1=CC=C2C(=C1)C=CC3=C2C=C(C(=N)O3)C4=NC5=CC=CC=C5C(=O)N4	XQGKOSUVQGKETE-UHFFFAOYSA-N
DG69053	Ethyl ((5-cyano-4-hydroxy-6-(4-methoxyphenyl)-2-pyrimidinyl)thio)acetate	135489869	"NSC686031; CHEMBL1979417; ZINC1041076; MCULE-3099162861; NSC-686031; NCI60_030981; Ethyl ((5-cyano-4-hydroxy-6-(4-methoxyphenyl)-2-pyrimidinyl)thio)acetate; ethyl 2-((5-cyano-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl) thio)acetate; ethyl 2-[5-cyano-4-hydroxy-6-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686031	.	.	.	.	345.4	C16H15N3O4S	126	612	2	24	1	7	7	"InChI=1S/C16H15N3O4S/c1-3-23-13(20)9-24-16-18-14(12(8-17)15(21)19-16)10-4-6-11(22-2)7-5-10/h4-7H,3,9H2,1-2H3,(H,18,19,21)"	CCOC(=O)CSC1=NC(=C(C(=O)N1)C#N)C2=CC=C(C=C2)OC	JXPJPEZEAWFAJV-UHFFFAOYSA-N
DG69054	"2-Phenylpyrimido[4',5':4,5][1,3]thiazolo[3,2-a]benzimidazol-4-ol"	135489880	"NSC687826; CHEMBL1988688; 2-Phenylpyrimido[4',5':4,5][1,3]thiazolo[3,2-a]benzimidazol-4-ol; NSC-687826; NCI60_031708"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687826	.	.	.	.	318.4	C17H10N4OS	87	533	4.4	23	1	4	1	"InChI=1S/C17H10N4OS/c22-16-13-15(19-14(20-16)10-6-2-1-3-7-10)21-12-9-5-4-8-11(12)18-17(21)23-13/h1-9H,(H,19,20,22)"	C1=CC=C(C=C1)C2=NC3=C(C(=O)N2)SC4=NC5=CC=CC=C5N34	LGJZMECJSHZHSK-UHFFFAOYSA-N
DG69055	2-(3-Fluorophenyl)quinazolin-4(3H)-one	135489883	"NSC690276; CHEMBL273327; ZINC5939834; AKOS015943123; CCG-347729; MCULE-2865599131; NSC-690276; 4-Hydroxy-2-(3-fluorophenyl)quinazoline; 138867-17-1; NCI60_032447; 2-(3-Fluorophenyl)quinazolin-4(3H)-one; 2-(3-fluorophenyl)-3,4-dihydroquinazolin-4-one; BRD-K34645496-001-01-6; Z666586360"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690276	.	.	.	.	240.23	C14H9FN2O	41.5	369	2.5	18	1	3	1	"InChI=1S/C14H9FN2O/c15-10-5-3-4-9(8-10)13-16-12-7-2-1-6-11(12)14(18)17-13/h1-8H,(H,16,17,18)"	C1=CC=C2C(=C1)C(=O)NC(=N2)C3=CC(=CC=C3)F	SZXYHOIFTIWFNM-UHFFFAOYSA-N
DG69056	"6-amino-N-(4-chlorophenyl)-3-imino-4-sulfanyl-1,2-dihydropyrazolo[4,3-c]pyridine-7-carboxamide"	135489893	"NSC692007; CHEMBL1966850; NSC-692007; NCI60_033030; 6-Amino-N-(4-chlorophenyl)-3-imino-4-mercapto-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine-7-carboxamide; 6-amino-N-(4-chlorophenyl)-3-imino-4-sulfanyl-1,2-dihydropyrazolo[4,3-c]pyridine-7-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692007	.	.	.	.	334.79	C13H11ClN6OS	154	519	1.2	22	5	5	2	"InChI=1S/C13H11ClN6OS/c14-5-1-3-6(4-2-5)17-12(21)7-9-8(11(16)20-19-9)13(22)18-10(7)15/h1-4H,(H,17,21)(H3,15,18,22)(H3,16,19,20)"	C1=CC(=CC=C1NC(=O)C2=C(NC(=S)C3=C2NN=C3N)N)Cl	DPJSVYOFNGIODT-UHFFFAOYSA-N
DG69057	"pyrimido[4',5':4,5]thiazolo[3,2-a]benzimidazol-4(3H)-one"	135489896	"NSC692379; pyrimido[4',5':4,5]thiazolo[3,2-a]benzimidazol-4(3H)-one; 176694-13-6; CHEMBL1978893; Pyrimido[4',5':4,5][1,3]thiazolo[3,2-a]benzimidazol-4-ol; NSC-692379; NCI60_033142"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	692379	.	.	.	.	242.26	C11H6N4OS	87	388	2.7	17	1	4	0	"InChI=1S/C11H6N4OS/c16-10-8-9(12-5-13-10)15-7-4-2-1-3-6(7)14-11(15)17-8/h1-5H,(H,12,13,16)"	C1=CC=C2C(=C1)N=C3N2C4=C(S3)C(=O)NC=N4	GCPRYDQCUMYEBC-UHFFFAOYSA-N
DG69058	4-methoxy-2-[(Z)-(phenylhydrazinylidene)methyl]phenol	135491062	CHEMBL2004721; ZINC5173669; NSC204682; NSC-204682	.	.	Investigative Drug(s)	Investigative	Small molecular drug	204682	.	.	.	.	242.27	C14H14N2O2	53.8	265	3.2	18	2	4	4	"InChI=1S/C14H14N2O2/c1-18-13-7-8-14(17)11(9-13)10-15-16-12-5-3-2-4-6-12/h2-10,16-17H,1H3/b15-10-"	COC1=CC(=C(C=C1)O)/C=N\\NC2=CC=CC=C2	YMPXJVNODYUEOL-GDNBJRDFSA-N
DG69059	"7H-1,2,3-Triazolo(4,5-d)pyrimidin-7-one, 3,4-dihydro-3-beta-D-ribofuranosyl-(9CI)"	135492361	"8-Azainosine; 4968-68-7; 7H-1,2,3-Triazolo(4,5-d)pyrimidin-7-one, 3,4-dihydro-3-beta-D-ribofuranosyl-(9CI); 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H-triazolo[4,5-d]pyrimidin-7-one; NSC 130279; SCHEMBL1117862; NSC765339; NSC-765339; 3,4-Dihydro-3-beta-D-ribofuranosyl-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one; 7H-1,2,3-Triazolo(4,5-d)pyrimidin-7-one, 3,4-dihydro-3-beta-D-ribofuranosyl- (9CI); 7H-v-Triazolo(4,5-d)pyrimidin-7-one, 3,6-dihydro-3-beta-D-ribofuranosyl- (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765339	.	.	.	.	269.21	C9H11N5O5	142	407	-2.5	19	4	8	2	"InChI=1S/C9H11N5O5/c15-1-3-5(16)6(17)9(19-3)14-7-4(12-13-14)8(18)11-2-10-7/h2-3,5-6,9,15-17H,1H2,(H,10,11,18)/t3-,5-,6-,9-/m1/s1"	C1=NC2=C(C(=O)N1)N=NN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	NNCMCLOTZNUFJG-UUOKFMHZSA-N
DG69060	"8-(4-Amino-1-methylbutyl)-amino-4-methyl-5, 2,6-hydrobromide, hemihydrate"	135492375	"NSC742254; NSC-742254; 8-(4-Amino-1-methylbutyl)-amino-4-methyl-5, 2,6-hydrobromide, hemihydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742254	.	.	.	.	275.35	C15H21N3O2	91.4	303	2	20	4	5	5	"InChI=1S/C15H21N3O2/c1-9-5-7-17-14-11(18-10(2)4-3-6-16)8-12(19)15(20)13(9)14/h5,7-8,10,18-20H,3-4,6,16H2,1-2H3"	CC1=C2C(=C(C=C(C2=NC=C1)NC(C)CCCN)O)O	UGQWFQAHDSOGCH-UHFFFAOYSA-N
DG69061	"Benzoic acid, [1-(2-hydroxyphenyl)ethylidene]hydrazide"	135493674	"MLS003170932; NSC338537; SCHEMBL684858; SCHEMBL13835215; AKOS000591829; ZINC102900362; NSC-338537; Benzoic acid, [1-(2-hydroxyphenyl)ethylidene]hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338537	.	.	.	.	269.3	C15H15N3O2	87.7	370	2.6	20	3	4	3	"InChI=1S/C15H15N3O2/c1-10(11-6-3-5-9-14(11)19)17-18-15(20)12-7-2-4-8-13(12)16/h2-9,19H,16H2,1H3,(H,18,20)/b17-10+"	C/C(=N\\NC(=O)C1=CC=CC=C1N)/C2=CC=CC=C2O	ICFAPGRDMJZKNX-LICLKQGHSA-N
DG69062	"Hydrazinecarboximidamide,5-dibromo-2-hydroxyphenyl) methylene]-N-hydroxy-, mono(4-methylbenzenesulfonate) (salt)"	135493814	"NSC371168; NSC-371168; Hydrazinecarboximidamide,5-dibromo-2-hydroxyphenyl) methylene]-N-hydroxy-, mono(4-methylbenzenesulfonate) (salt)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	371168	.	.	.	.	524.2	C15H16Br2N4O5S	166	494	.	27	5	7	4	"InChI=1S/C8H8Br2N4O2.C7H8O3S/c9-5-1-4(7(15)6(10)2-5)3-12-13-8(11)14-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,15-16H,(H3,11,13,14);2-5H,1H3,(H,8,9,10)/b12-3+;"	CC1=CC=C(C=C1)S(=O)(=O)O.C1=C(C=C(C(=C1/C=N/N=C(/N)\\NO)O)Br)Br	KXIRYSUGSNQDKG-QXKVDVGOSA-N
DG69063	4-[(2E)-2-benzylidenehydrazino]-5-phenyl-5H-oxazol-2-one	135493924	"NSC682128; CHEMBL1975558; NSC-682128; 4-[(2E)-2-benzylidenehydrazino]-5-phenyl-5H-oxazol-2-one; Benzaldehyde (2-oxo-5-phenyl-2,5-dihydro-1,3-oxazol-4-yl)hydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682128	.	.	.	.	279.29	C16H13N3O2	63	421	3.1	21	1	4	3	"InChI=1S/C16H13N3O2/c20-16-18-15(14(21-16)13-9-5-2-6-10-13)19-17-11-12-7-3-1-4-8-12/h1-11,14H,(H,18,19,20)/b17-11+"	C1=CC=C(C=C1)/C=N/N=C\\2/C(OC(=O)N2)C3=CC=CC=C3	VFYSBVOGXBKZSI-GZTJUZNOSA-N
DG69064	N-amino-N-[(E)-(4-nitro-1H-imidazol-5-yl)azo]methanamine	135493927	NSC684036; CHEMBL1990442; NSC-684036; N-amino-N-[(E)-(4-nitro-1H-imidazol-5-yl)azo]methanamine; 4-(Hydroxy(oxido)amino)-5-(3-methyl-1-tetrazenyl)-1H-imidazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684036	.	.	.	.	185.15	C4H7N7O2	129	213	0.5	13	2	7	2	"InChI=1S/C4H7N7O2/c1-10(5)9-8-3-4(11(12)13)7-2-6-3/h2H,5H2,1H3,(H,6,7)/b9-8+"	CN(N)/N=N/C1=C(NC=N1)[N+](=O)[O-]	BOUBJXIHHJMQCX-CMDGGOBGSA-N
DG69065	"Cysteine, S-[(4-aminocarbonyl-1H-imidazol-5-yl)azo]-"	135493928	"NSC684043; CHEMBL1984151; STL436947; AKOS005220463; NSC-684043; Cysteine, S-[(4-aminocarbonyl-1H-imidazol-5-yl)azo]-; S-((4-(Aminocarbonyl)-1H-imidazol-5-yl)diazenyl)cysteine; S-[(E)-(4-carbamoyl-1H-imidazol-5-yl)diazenyl]cysteine; 1H-Imidazole-4-carboxamide, 5-[[(2-amino-2-carboxyethyl)thio]azo]-; 2-amino-3-[(E)-(4-carbamoyl-1H-imidazol-5-yl)azo]sulfanyl-propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684043	.	.	.	.	258.26	C7H10N6O3S	185	325	-3.3	17	4	8	6	"InChI=1S/C7H10N6O3S/c8-3(7(15)16)1-17-13-12-6-4(5(9)14)10-2-11-6/h2-3H,1,8H2,(H2,9,14)(H,10,11)(H,15,16)/b13-12+"	C1=NC(=C(N1)C(=O)N)/N=N/SCC(C(=O)O)N	OZJYOELRWINQGB-OUKQBFOZSA-N
DG69066	ethyl 5-[(E)-[amino(methyl)amino]azo]-1H-imidazole-4-carboxylate	135493929	NSC684044; CHEMBL1982717; STL436927; AKOS005220504; NSC-684044; Ethyl 5-(3-methyl-1-tetrazenyl)-1H-imidazole-4-carboxylate; ethyl 5-[(E)-[amino(methyl)amino]azo]-1H-imidazole-4-carboxylate; ethyl 5-[(1E)-3-methyltetraaz-1-en-1-yl]-1H-imidazole-4-carboxylate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684044	.	.	.	.	212.21	C7H12N6O2	109	246	-0.3	15	2	7	5	"InChI=1S/C7H12N6O2/c1-3-15-7(14)5-6(10-4-9-5)11-12-13(2)8/h4H,3,8H2,1-2H3,(H,9,10)/b12-11+"	CCOC(=O)C1=C(N=CN1)/N=N/N(C)N	PKKQHWKRXDTZOM-VAWYXSNFSA-N
DG69067	5-[(E)-[amino(methyl)amino]azo]-1H-imidazole-4-carboxamide	135493930	"NSC684047; CHEMBL2000673; STL436618; AKOS005221516; NSC-684047; 5-(3-Methyl-1-tetrazenyl)-1H-imidazole-4-carboxamide; 1H-Imidazole-4-carboxamide, 5-(3-methyl-1-tetrazenyl)-; 5-[(E)-[amino(methyl)amino]azo]-1H-imidazole-4-carboxamide; 5-[(1E)-3-methyltetraaz-1-en-1-yl]-1H-imidazole-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684047	.	.	.	.	183.17	C5H9N7O	126	217	-1.3	13	3	6	3	"InChI=1S/C5H9N7O/c1-12(7)11-10-5-3(4(6)13)8-2-9-5/h2H,7H2,1H3,(H2,6,13)(H,8,9)/b11-10+"	CN(N)/N=N/C1=C(NC=N1)C(=O)N	XWFIERMHXBDFMK-ZHACJKMWSA-N
DG69068	"Cysteine, N-acetyl-S-[(4-aminocarbonyl-1H-imidazol-5-yl)azo]-"	135493932	"NSC684054; CHEMBL1983240; STL436946; AKOS005220462; NSC-684054; Cysteine, N-acetyl-S-[(4-aminocarbonyl-1H-imidazol-5-yl)azo]-; N-Acetyl-S-((4-(aminocarbonyl)-1H-imidazol-5-yl)diazenyl)cysteine; N-acetyl-S-[(E)-(4-carbamoyl-1H-imidazol-5-yl)diazenyl]cysteine; 1H-Imidazole-4-carboxamide, 5-[[(2-acetylamino-2-carboxyethyl)thio]azo]-; 2-acetamido-3-[(E)-(4-carbamoyl-1H-imidazol-5-yl)azo]sulfanyl-propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684054	.	.	.	.	300.3	C9H12N6O4S	188	417	-0.8	20	4	8	7	"InChI=1S/C9H12N6O4S/c1-4(16)13-5(9(18)19)2-20-15-14-8-6(7(10)17)11-3-12-8/h3,5H,2H2,1H3,(H2,10,17)(H,11,12)(H,13,16)(H,18,19)/b15-14+"	CC(=O)NC(CS/N=N/C1=C(NC=N1)C(=O)N)C(=O)O	PLDBJHKVWNUEQW-CCEZHUSRSA-N
DG69069	"3-(2-Furylmethylene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione"	135493950	"NSC684350; CHEMBL1970746; NSC-684350; (3E)-3-(2-furylmethylene)-1H-imidazo[2,1-b]quinazoline-2,5-dione; 3-(2-Furylmethylene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684350	.	.	.	.	279.25	C15H9N3O3	74.9	554	1.5	21	1	4	1	"InChI=1S/C15H9N3O3/c19-13-12(8-9-4-3-7-21-9)18-14(20)10-5-1-2-6-11(10)16-15(18)17-13/h1-8H,(H,16,17,19)/b12-8+"	C1=CC=C2C(=C1)C(=O)N3/C(=C/C4=CC=CO4)/C(=O)NC3=N2	LRJVINWJIBXJMU-XYOKQWHBSA-N
DG69070	(4Z)-2-morpholino-4-(2-thienylmethylene)-1H-imidazol-5-one	135493955	"NSC684355; CHEMBL1989352; NSC-684355; (4Z)-2-morpholino-4-(2-thienylmethylene)-1H-imidazol-5-one; 2-Morpholino-5-[(Z)-(2-thienyl)methylene]-1-imidazoline-4-one; 2-(4-Morpholinyl)-5-(2-thienylmethylene)-3,5-dihydro-4H-imidazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684355	.	.	.	.	263.32	C12H13N3O2S	82.2	402	0.7	18	1	4	2	"InChI=1S/C12H13N3O2S/c16-11-10(8-9-2-1-7-18-9)13-12(14-11)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2,(H,13,14,16)/b10-8-"	C1COCCN1C2=N/C(=C\\C3=CC=CS3)/C(=O)N2	OELMVZUPDJYSLN-NTMALXAHSA-N
DG69071	(4Z)-4-[(4-hydroxyphenyl)methylene]-2-morpholino-1H-imidazol-5-one	135493957	"NSC684357; CHEMBL1977851; NSC-684357; 2-Morpholino-5-[(Z)-4-hydroxybenzylidene]-1-imidazoline-4-one; (4Z)-4-[(4-hydroxyphenyl)methylene]-2-morpholino-1H-imidazol-5-one; 5-(4-Hydroxybenzylidene)-2-(4-morpholinyl)-3,5-dihydro-4H-imidazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684357	.	.	.	.	273.29	C14H15N3O3	74.2	433	0.6	20	2	4	2	"InChI=1S/C14H15N3O3/c18-11-3-1-10(2-4-11)9-12-13(19)16-14(15-12)17-5-7-20-8-6-17/h1-4,9,18H,5-8H2,(H,15,16,19)/b12-9-"	C1COCCN1C2=N/C(=C\\C3=CC=C(C=C3)O)/C(=O)N2	KBQRQNYGGFOQDC-XFXZXTDPSA-N
DG69072	"1,3-Benzodioxole-5-carbaldehyde (5-hydroxy-6-(2-(4-methylphenyl)vinyl)-1,2,4-triazin-3-yl)hydrazone"	135493963	"NSC685127; CHEMBL1998997; NSC-685127; 1,3-Benzodioxole-5-carbaldehyde (5-hydroxy-6-(2-(4-methylphenyl)vinyl)-1,2,4-triazin-3-yl)hydrazone; 3-[(2E)-2-(1,3-benzodioxol-5-ylmethylene)hydrazino]-6-[(E)-2-(p-tolyl)vinyl]-1,2,4-triazin-5-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685127	.	.	.	.	375.4	C20H17N5O3	96.7	694	3	28	2	6	5	"InChI=1S/C20H17N5O3/c1-13-2-4-14(5-3-13)6-8-16-19(26)22-20(25-23-16)24-21-11-15-7-9-17-18(10-15)28-12-27-17/h2-11H,12H2,1H3,(H2,22,24,25,26)/b8-6+,21-11+"	CC1=CC=C(C=C1)/C=C/C2=NN=C(NC2=O)N/N=C/C3=CC4=C(C=C3)OCO4	WRYLTUHGJGLBMF-UJYDWOFLSA-N
DG69073	"3-ethyl-4-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1H-1,2,4-triazol-5-one"	135493982	"NSC687209; CHEMBL1968678; SCHEMBL14075815; ZINC5837131; NSC-687209; 3-ethyl-4-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1H-1,2,4-triazol-5-one; 5-Ethyl-4-(((2-hydroxy-1-naphthyl)methylene)amino)-2,4-dihydro-3H-1,2,4-triazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687209	.	.	.	.	282.3	C15H14N4O2	77.3	463	2.4	21	2	4	3	"InChI=1S/C15H14N4O2/c1-2-14-17-18-15(21)19(14)16-9-12-11-6-4-3-5-10(11)7-8-13(12)20/h3-9,20H,2H2,1H3,(H,18,21)/b16-9+"	CCC1=NNC(=O)N1/N=C/C2=C(C=CC3=CC=CC=C32)O	XUKUKFOUKQSITG-CXUHLZMHSA-N
DG69074	"N-[(E)-(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methyleneamino]morpholine-4-carboxamide"	135493990	"NSC688497; CHEMBL1971782; NSC-688497; N'-((2-Hydroxy-4-phenyl-1,2.lambda.~5~,5-oxadiazol-3-yl)methylene)-4-morpholinecarbohydrazide; N-[(E)-(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methyleneamino]morpholine-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688497	.	.	.	.	317.3	C14H15N5O4	105	423	0.9	23	1	6	3	"InChI=1S/C14H15N5O4/c20-14(18-6-8-22-9-7-18)16-15-10-12-13(17-23-19(12)21)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,16,20)/b15-10+"	C1COCCN1C(=O)N/N=C/C2=[N+](ON=C2C3=CC=CC=C3)[O-]	MARXGGLFUMEGRL-XNTDXEJSSA-N
DG69075	"(E)-(3-acetoxy-3-cyano-1,1-dimethyl-propyl)-[(3-acetoxy-3-cyano-1,1-dimethyl-propyl)-oxido-iminio]-oxido-ammonium"	135493991	"NSC688529; CHEMBL1974934; NSC-688529; (E)-(3-acetoxy-3-cyano-1,1-dimethyl-propyl)-[(3-acetoxy-3-cyano-1,1-dimethyl-propyl)-oxido-iminio]-oxido-ammonium; 3-(2-(3-(Acetyloxy)-3-cyano-1,1-dimethylpropyl)-1,2-dihydroxy-1.lambda.~5~,2.lambda.~5~-diazenyl)-1-cyano-3-methylbutyl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688529	.	.	.	.	368.38	C16H24N4O6	158	621	0.5	26	0	8	10	"InChI=1S/C16H24N4O6/c1-11(21)25-13(9-17)7-15(3,4)19(23)20(24)16(5,6)8-14(10-18)26-12(2)22/h13-14H,7-8H2,1-6H3/b20-19+"	CC(=O)OC(CC(C)(C)/[N+](=[N+](/C(C)(C)CC(C#N)OC(=O)C)\\[O-])/[O-])C#N	SPALPLVMFXBGCP-FMQUCBEESA-N
DG69076	1-[(E)-1-(2-hydroxy-5-methoxy-phenyl)ethylideneamino]-3-methyl-thiourea	135493993	NSC689544; CHEMBL1983437; AKOS000978004; NSC-689544; 1-(2-Hydroxy-5-methoxyphenyl)ethanone N-methylthiosemicarbazone; 1-[(E)-1-(2-hydroxy-5-methoxy-phenyl)ethylideneamino]-3-methyl-thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689544	.	.	.	.	253.32	C11H15N3O2S	98	296	1.4	17	3	4	3	"InChI=1S/C11H15N3O2S/c1-7(13-14-11(17)12-2)9-6-8(16-3)4-5-10(9)15/h4-6,15H,1-3H3,(H2,12,14,17)/b13-7+"	C/C(=N\\NC(=S)NC)/C1=C(C=CC(=C1)OC)O	XAPVLTLBQUZWEU-NTUHNPAUSA-N
DG69077	"3-[(E)-1-(2-hydroxy-5-methoxy-phenyl)ethylideneamino]-1,1-dimethyl-thiourea"	135493994	"NSC689545; CHEMBL1980215; NSC-689545; 1-(2-Hydroxy-5-methoxyphenyl)ethanone N,N-dimethylthiosemicarbazone; 3-[(E)-1-(2-hydroxy-5-methoxy-phenyl)ethylideneamino]-1,1-dimethyl-thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689545	.	.	.	.	267.35	C12H17N3O2S	89.2	320	1.6	18	2	4	3	"InChI=1S/C12H17N3O2S/c1-8(13-14-12(18)15(2)3)10-7-9(17-4)5-6-11(10)16/h5-7,16H,1-4H3,(H,14,18)/b13-8+"	C/C(=N\\NC(=S)N(C)C)/C1=C(C=CC(=C1)OC)O	ATUBDQAUSKMLSV-MDWZMJQESA-N
DG69078	1-[(E)-1-(2-hydroxy-4-methoxy-phenyl)ethylideneamino]-3-methyl-thiourea	135493995	NSC689546; MLS002702389; CHEMBL1997485; NSC-689546; 1-(2-Hydroxy-4-methoxyphenyl)ethanone N-methylthiosemicarbazone; 1-[(E)-1-(2-hydroxy-4-methoxy-phenyl)ethylideneamino]-3-methyl-thiourea; 2-[1-(2-Hydroxy-4-methoxyphenyl)ethylidene]-N-methylhydrazinecarbothioamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689546	.	.	.	.	253.32	C11H15N3O2S	98	296	1.6	17	3	4	3	"InChI=1S/C11H15N3O2S/c1-7(13-14-11(17)12-2)9-5-4-8(16-3)6-10(9)15/h4-6,15H,1-3H3,(H2,12,14,17)/b13-7+"	C/C(=N\\NC(=S)NC)/C1=C(C=C(C=C1)OC)O	FPZBHJNCBMQKKI-NTUHNPAUSA-N
DG69079	"3-[(E)-1-(2-hydroxy-4-methoxy-phenyl)ethylideneamino]-1,1-dimethyl-thiourea"	135493996	"NSC689547; CHEMBL1993582; ZINC104317625; NSC-689547; 1-(2-Hydroxy-4-methoxyphenyl)ethanone N,N-dimethylthiosemicarbazone; 3-[(E)-1-(2-hydroxy-4-methoxy-phenyl)ethylideneamino]-1,1-dimethyl-thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689547	.	.	.	.	267.35	C12H17N3O2S	89.2	320	1.8	18	2	4	3	"InChI=1S/C12H17N3O2S/c1-8(13-14-12(18)15(2)3)10-6-5-9(17-4)7-11(10)16/h5-7,16H,1-4H3,(H,14,18)/b13-8+"	C/C(=N\\NC(=S)N(C)C)/C1=C(C=C(C=C1)OC)O	CLWNQWBHUWAQFA-MDWZMJQESA-N
DG69080	"1-[(E)-1-(2-hydroxy-4,5-dimethoxy-phenyl)ethylideneamino]-3-methyl-thiourea"	135493997	"NSC689548; CHEMBL1967659; ZINC104317629; NSC-689548; 1-(2-Hydroxy-4,5-dimethoxyphenyl)ethanone N-methylthiosemicarbazone; 1-[(E)-1-(2-hydroxy-4,5-dimethoxy-phenyl)ethylideneamino]-3-methyl-thiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	689548	.	.	.	.	283.35	C12H17N3O3S	107	338	1.4	19	3	5	4	"InChI=1S/C12H17N3O3S/c1-7(14-15-12(19)13-2)8-5-10(17-3)11(18-4)6-9(8)16/h5-6,16H,1-4H3,(H2,13,15,19)/b14-7+"	C/C(=N\\NC(=S)NC)/C1=CC(=C(C=C1O)OC)OC	ZUUVJALLOGMBMS-VGOFMYFVSA-N
DG69081	Ethyl 2-((4-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)hydrazono)-3-oxobutanoate	135494007	NSC691084; CHEMBL1978702; NSC-691084; ethyl (2E)-2-[[4-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]hydrazono]-3-oxo-butanoate; Ethyl 2-((4-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)hydrazono)-3-oxobutanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691084	.	.	.	.	392.4	C21H20N4O4	104	722	3.8	29	1	7	6	"InChI=1S/C21H20N4O4/c1-4-29-21(28)19(13(2)26)24-23-15-9-11-16(12-10-15)25-14(3)22-18-8-6-5-7-17(18)20(25)27/h5-12,26H,4H2,1-3H3/b19-13+,24-23 "	CCOC(=O)/C(=C(/C)\\O)/N=NC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C	RLEDGOMFJBBHQZ-OXSVKWCJSA-N
DG69082	Ethyl 2-((4-(6-bromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)hydrazono)-3-oxobutanoate	135494008	NSC691085; CHEMBL2006170; NSC-691085; Ethyl 2-((4-(6-bromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)hydrazono)-3-oxobutanoate; ethyl (2E)-2-[[4-(6-bromo-2-methyl-4-oxo-quinazolin-3-yl)phenyl]hydrazono]-3-oxo-butanoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691085	.	.	.	.	471.3	C21H19BrN4O4	104	758	4.5	30	1	7	6	"InChI=1S/C21H19BrN4O4/c1-4-30-21(29)19(12(2)27)25-24-15-6-8-16(9-7-15)26-13(3)23-18-10-5-14(22)11-17(18)20(26)28/h5-11,27H,4H2,1-3H3/b19-12+,25-24 "	CCOC(=O)/C(=C(/C)\\O)/N=NC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)C	OXVWOUXDAFACLY-PGKDKAIYSA-N
DG69083	(4Z)-2-hydrazino-4-[(2-hydroxyphenyl)methylene]-1H-imidazol-5-one	135494018	"NSC691980; CHEMBL2005578; NSC-691980; (4Z)-2-hydrazino-4-[(2-hydroxyphenyl)methylene]-1H-imidazol-5-one; 2-Hydrazino-5-(2-hydroxybenzylidene)-3,5-dihydro-4H-imidazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	691980	.	.	.	.	218.21	C10H10N4O2	99.7	351	0.1	16	4	4	2	"InChI=1S/C10H10N4O2/c11-14-10-12-7(9(16)13-10)5-6-3-1-2-4-8(6)15/h1-5,15H,11H2,(H2,12,13,14,16)/b7-5-"	C1=CC=C(C(=C1)/C=C\\2/C(=O)NC(=N2)NN)O	ZQWSTWAHDJCBPC-ALCCZGGFSA-N
DG69084	"3-[2-(3-Amino-1,4-dioxidoquinoxaline-1,4-diium-2-yl)phenyl]-1,4-dioxidoquinoxaline-1,4-diium-2-amine"	135496475	NSC621727; CHEMBL1977782; NSC-621727; NCI60_006325	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621727	.	.	.	.	428.4	C22H16N6O4	154	606	-0.9	32	2	6	2	"InChI=1S/C22H16N6O4/c23-21-19(25(29)15-9-3-5-11-17(15)27(21)31)13-7-1-2-8-14(13)20-22(24)28(32)18-12-6-4-10-16(18)26(20)30/h1-12H,23-24H2"	C1=CC=C(C(=C1)C2=[N+](C3=CC=CC=C3[N+](=C2N)[O-])[O-])C4=[N+](C5=CC=CC=C5[N+](=C4N)[O-])[O-]	POXVBMPUZMASMV-UHFFFAOYSA-N
DG69085	"3-(2,6-Dichlorophenyl)-6,7-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine"	135498142	NSC621720; CHEMBL1988803; ZINC1616524; AKOS024423152; NSC-621720; NCI60_006318	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621720	.	.	.	.	350.2	C16H13Cl2N3O2	76.9	420	2.5	23	1	3	1	"InChI=1S/C16H13Cl2N3O2/c1-8-6-12-13(7-9(8)2)21(23)16(19)15(20(12)22)14-10(17)4-3-5-11(14)18/h3-7H,19H2,1-2H3"	CC1=CC2=C(C=C1C)[N+](=C(C(=[N+]2[O-])C3=C(C=CC=C3Cl)Cl)N)[O-]	DZSPSYZNVFVKCC-UHFFFAOYSA-N
DG69086	"N'-(3-(3,4-Dimethoxyphenyl)-1-(2-(4-(hydroxy(oxido)amino)anilino)-4-methyl-1,3-thiazol-5-yl)-2-propenylidene)benzohydrazide"	135499148	"NSC640336; CHEMBL1998823; ZINC8663792; NSC-640336; N'-(3-(3,4-Dimethoxyphenyl)-1-(2-(4-(hydroxy(oxido)amino)anilino)-4-methyl-1,3-thiazol-5-yl)-2-propenylidene)benzohydrazide; N-[(E)-[(E)-3-(3,4-dimethoxyphenyl)-1-[4-methyl-2-(4-nitroanilino)thiazol-5-yl]prop-2-enylidene]amino]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640336	.	.	.	.	543.6	C28H25N5O5S	159	869	6.5	39	2	9	9	"InChI=1S/C28H25N5O5S/c1-18-26(39-28(29-18)30-21-11-13-22(14-12-21)33(35)36)23(31-32-27(34)20-7-5-4-6-8-20)15-9-19-10-16-24(37-2)25(17-19)38-3/h4-17H,1-3H3,(H,29,30)(H,32,34)/b15-9+,31-23+"	CC1=C(SC(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])/C(=N/NC(=O)C3=CC=CC=C3)/C=C/C4=CC(=C(C=C4)OC)OC	SIZCKXICDRTWFS-YSYZDXPVSA-N
DG69087	N-[(E)-[(E)-3-(3-hydroxyphenyl)-1-[4-methyl-2-(4-methyl-2-nitro-anilino)thiazol-5-yl]prop-2-enylidene]amino]propanamide	135499149	"NSC640337; CHEMBL2004095; CHEMBL4550024; ZINC17210587; NSC-640337; N'-(1-(2-(2-(Hydroxy(oxido)amino)-4-methylanilino)-4-methyl-1,3-thiazol-5-yl)-3-(3-hydroxyphenyl)-2-propenylidene)propanohydrazide; N-[(E)-[(E)-3-(3-hydroxyphenyl)-1-[4-methyl-2-(4-methyl-2-nitro-anilino)thiazol-5-yl]prop-2-enylidene]amino]propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640337	.	.	.	.	465.5	C23H23N5O4S	161	743	6	33	3	8	7	"InChI=1S/C23H23N5O4S/c1-4-21(30)27-26-19(11-9-16-6-5-7-17(29)13-16)22-15(3)24-23(33-22)25-18-10-8-14(2)12-20(18)28(31)32/h5-13,29H,4H2,1-3H3,(H,24,25)(H,27,30)/b11-9+,26-19+"	CCC(=O)N/N=C(\\C=C\\C1=CC(=CC=C1)O)/C2=C(N=C(S2)NC3=C(C=C(C=C3)C)[N+](=O)[O-])C	AYQGDCRHPBIPGC-KCLFYHGJSA-N
DG69088	N-[(E)-[(E)-3-(4-dimethylaminophenyl)-1-[4-methyl-2-(4-nitroanilino)thiazol-5-yl]prop-2-enylidene]amino]benzamide	135499150	"NSC640338; CHEMBL2002037; ZINC8653413; NSC-640338; N'-(3-(4-(Dimethylamino)phenyl)-1-(2-(4-(hydroxy(oxido)amino)anilino)-4-methyl-1,3-thiazol-5-yl)-2-propenylidene)benzohydrazide; N-[(E)-[(E)-3-(4-dimethylaminophenyl)-1-[4-methyl-2-(4-nitroanilino)thiazol-5-yl]prop-2-enylidene]amino]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640338	.	.	.	.	526.6	C28H26N6O3S	144	840	6.7	38	2	8	8	"InChI=1S/C28H26N6O3S/c1-19-26(38-28(29-19)30-22-12-16-24(17-13-22)34(36)37)25(31-32-27(35)21-7-5-4-6-8-21)18-11-20-9-14-23(15-10-20)33(2)3/h4-18H,1-3H3,(H,29,30)(H,32,35)/b18-11+,31-25+"	CC1=C(SC(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])/C(=N/NC(=O)C3=CC=CC=C3)/C=C/C4=CC=C(C=C4)N(C)C	PMLZTTJCGDDWEM-LJQKCBRLSA-N
DG69089	NSC640341	135499152	"5-[(E)-C-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-N-(2,4-dinitroanilino)carbonimidoyl]-4-methyl-N-(4-methyl-2-nitro-phenyl)thiazol-2-amine; NSC640341; CHEMBL1972895; ZINC104289625; NSC-640341; 3-(1,3-Benzodioxol-5-yl)-1-(2-(2-(hydroxy(oxido)amino)-4-methylanilino)-4-methyl-1,3-thiazol-5-yl)-2-propen-1-one (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone; 5-[(E)-C-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-N-(2,4-dinitroanilino)carbonimidoyl]-4-methyl-N-(4-methyl-2-nitro-phenyl)thiazol-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	640341	.	.	.	.	603.6	C27H21N7O8S	234	1080	8.3	43	2	13	7	"InChI=1S/C27H21N7O8S/c1-15-3-7-19(22(11-15)33(37)38)29-27-28-16(2)26(43-27)21(8-4-17-5-10-24-25(12-17)42-14-41-24)31-30-20-9-6-18(32(35)36)13-23(20)34(39)40/h3-13,30H,14H2,1-2H3,(H,28,29)/b8-4+,31-21+"	CC1=CC(=C(C=C1)NC2=NC(=C(S2)/C(=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])/C=C/C4=CC5=C(C=C4)OCO5)C)[N+](=O)[O-]	NWOVWQPMMWSTFW-VZKZHWFBSA-N
DG69090	(2Z)-2-(3-hydroxy-6-nitro-quinoxalin-2-yl)-N-(3-nitrophenyl)-2-(p-tolylsulfonylhydrazono)acetamide	135499161	NSC641604; CHEMBL1974429; ZINC104291191; NSC-641604; (2Z)-2-(3-hydroxy-6-nitro-quinoxalin-2-yl)-N-(3-nitrophenyl)-2-(p-tolylsulfonylhydrazono)acetamide; 2-(3-Hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-N-(3-(hydroxy(oxido)amino)phenyl)-2-(((4-methylphenyl)sulfonyl)hydrazono)acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641604	.	.	.	.	551.5	C23H17N7O8S	229	1150	3.6	39	3	11	6	"InChI=1S/C23H17N7O8S/c1-13-5-8-17(9-6-13)39(37,38)28-27-21(23(32)24-14-3-2-4-15(11-14)29(33)34)20-22(31)26-19-12-16(30(35)36)7-10-18(19)25-20/h2-12,28H,1H3,(H,24,32)(H,26,31)/b27-21-"	CC1=CC=C(C=C1)S(=O)(=O)N/N=C(/C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)\\C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]	LHGNMEIQHNGABT-MEFGMAGPSA-N
DG69091	NSC641613	135499166	2-(2-Hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-(4-(hydroxy(oxido)amino)phenyl)ethylidene)hydrazinecarboximidamide; NSC641613; NSC-641613; 1-[(E)-[2-hydroxy-1-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2-(4-nitrophenyl)ethylidene]amino]guanidine; 2-(2-Hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-(4-(hydroxy(oxido)amino)phenyl)ethylidene)hydrazinecarboximidamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641613	.	.	.	.	426.3	C17H14N8O6	230	820	0.4	31	4	9	4	"InChI=1S/C17H14N8O6/c18-17(19)23-22-13(15(26)8-1-3-9(4-2-8)24(28)29)14-16(27)21-12-7-10(25(30)31)5-6-11(12)20-14/h1-7,15,26H,(H,21,27)(H4,18,19,23)/b22-13+"	C1=CC(=CC=C1C(/C(=N/N=C(N)N)/C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O)[N+](=O)[O-]	BNYLDSTYMGXKHZ-LPYMAVHISA-N
DG69092	N'-(4-chlorobenzoyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-N'-(4-methylphenyl)propanediamide	135499196	NSC644474; CHEMBL2003702; ZINC104293463; NSC-644474	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644474	.	.	.	.	463.9	C25H22ClN3O4	99.1	727	4.7	33	2	5	6	"InChI=1S/C25H22ClN3O4/c1-16-7-13-20(14-8-16)29(25(33)18-9-11-19(26)12-10-18)24(32)15-23(31)28-27-17(2)21-5-3-4-6-22(21)30/h3-14,30H,15H2,1-2H3,(H,28,31)/b27-17+"	CC1=CC=C(C=C1)N(C(=O)CC(=O)N/N=C(\\C)/C2=CC=CC=C2O)C(=O)C3=CC=C(C=C3)Cl	JDDFDBIYKXWTGB-WPWMEQJKSA-N
DG69093	NSC644727	135499200	Methyl 2-(1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-(3-(hydroxy(oxido)amino)anilino)-2-oxoethylidene)hydrazinecarboxylate; NSC644727; CHEMBL1985207; ZINC104293608; NSC-644727; Methyl 2-(1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-(3-(hydroxy(oxido)amino)anilino)-2-oxoethylidene)hydrazinecarboxylate; methyl N-[(Z)-[1-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2-(3-nitroanilino)-2-oxo-ethylidene]amino]carbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644727	.	.	.	.	455.3	C18H13N7O8	213	893	2.2	33	3	10	5	"InChI=1S/C18H13N7O8/c1-33-18(28)23-22-15(17(27)19-9-3-2-4-10(7-9)24(29)30)14-16(26)21-13-8-11(25(31)32)5-6-12(13)20-14/h2-8H,1H3,(H,19,27)(H,21,26)(H,23,28)/b22-15-"	COC(=O)N/N=C(/C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)\\C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]	JCWSWXIPRDXDFR-JCMHNJIXSA-N
DG69094	6-((Hydroxyimino)methyl)-3-pyridinyl diethylcarbamate	135499213	"NSC644877; CHEMBL2000725; NSC-644877; 6-((Hydroxyimino)methyl)-3-pyridinyl diethylcarbamate; [6-[(E)-hydroxyiminomethyl]-3-pyridyl] N,N-diethylcarbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644877	.	.	.	.	237.25	C11H15N3O3	75	267	1.4	17	1	5	5	"InChI=1S/C11H15N3O3/c1-3-14(4-2)11(15)17-10-6-5-9(7-13-16)12-8-10/h5-8,16H,3-4H2,1-2H3/b13-7+"	CCN(CC)C(=O)OC1=CN=C(C=C1)/C=N/O	AFJZELHSFWBABZ-NTUHNPAUSA-N
DG69095	"(NE)-N-[[3-(3,4,4-trimethyl-5H-1,3-oxazol-3-ium-2-yl)pyridin-2-yl]methylidene]hydroxylamine;iodide"	135499214	NSC644881; CHEMBL1968707; NSC-644881	.	.	Investigative Drug(s)	Investigative	Small molecular drug	644881	.	.	.	.	361.18	C12H16IN3O2	57.7	350	.	18	1	5	2	"InChI=1S/C12H15N3O2.HI/c1-12(2)8-17-11(15(12)3)9-5-4-6-13-10(9)7-14-16;/h4-7H,8H2,1-3H3;1H"	CC1(COC(=[N+]1C)C2=C(N=CC=C2)/C=N/O)C.[I-]	AKOQTFJADSNOME-UHFFFAOYSA-N
DG69096	(5E)-6-hydroxy-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylpyrimidin-4(5H)-one	135499231	NSC645852; CCG-53064; STL147558; AKOS002314548; AKOS005747451; MCULE-5157421928; NSC-645852; SR-01000642254-1; (5E)-6-hydroxy-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylpyrimidin-4(5H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645852	.	.	.	.	221.24	C9H7N3O2S	106	460	-0.4	15	3	4	1	"InChI=1S/C9H7N3O2S/c13-7-6(4-5-2-1-3-10-5)8(14)12-9(15)11-7/h1-4H,(H3,11,12,13,14,15)/b5-4+"	C1=C/C(=C\\C2=C(NC(=S)NC2=O)O)/N=C1	KPHGEZLPBSUOJG-SNAWJCMRSA-N
DG69097	"N-(2,4-Dichlorophenyl)-7-hydroxy-4-(hydroxyimino)-4H-chromene-2-carboxamide"	135499232	"NSC645889; CHEMBL1983340; N-(2,4-Dichlorophenyl)-7-hydroxy-4-(hydroxyimino)-4H-chromene-2-carboxamide; ZINC104294487; NSC-645889; (4E)-N-(2,4-dichlorophenyl)-7-hydroxy-4-hydroxyimino-chromene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645889	.	.	.	.	365.2	C16H10Cl2N2O4	91.2	554	3.7	24	3	5	2	"InChI=1S/C16H10Cl2N2O4/c17-8-1-4-12(11(18)5-8)19-16(22)15-7-13(20-23)10-3-2-9(21)6-14(10)24-15/h1-7,21,23H,(H,19,22)/b20-13+"	C1=CC\\2=C(C=C1O)OC(=C/C2=N\\O)C(=O)NC3=C(C=C(C=C3)Cl)Cl	IIHBAMOVYVKHJL-DEDYPNTBSA-N
DG69098	1-[(E)-(2-chloro-4-hydroxy-5-methoxy-phenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid	135499237	NSC646105; CHEMBL1966060; NSC-646105; N1-Hydroxy-N3[(6-chloro-4-hydroxy-3-methoxybenzylidene)amino]guanidine tosylate; 1-[(E)-(2-chloro-4-hydroxy-5-methoxy-phenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646105	.	.	.	.	430.9	C16H19ClN4O6S	175	506	.	28	5	8	5	"InChI=1S/C9H11ClN4O3.C7H8O3S/c1-17-8-2-5(6(10)3-7(8)15)4-12-13-9(11)14-16;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,15-16H,1H3,(H3,11,13,14);2-5H,1H3,(H,8,9,10)/b12-4+;"	CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=C(C(=C1)/C=N/N=C(\\N)/NO)Cl)O	ODIDSMOFECOYSU-AQCBZIOHSA-N
DG69099	2-Hydroxy-1-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2-(p-tolyl)ethanone hydrazone	135499264	NSC647582; CHEMBL1990021; NSC-647582; 2-hydroxy-1-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2-(p-tolyl)ethanone hydrazone; 2-Hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-(4-methylphenyl)ethanone hydrazone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647582	.	.	.	.	353.33	C17H15N5O4	146	621	1.7	26	3	7	3	"InChI=1S/C17H15N5O4/c1-9-2-4-10(5-3-9)16(23)14(21-18)15-17(24)20-13-8-11(22(25)26)6-7-12(13)19-15/h2-8,16,23H,18H2,1H3,(H,20,24)/b21-14+"	CC1=CC=C(C=C1)C(/C(=N/N)/C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O	BHJGXHBRCHDZJQ-KGENOOAVSA-N
DG69100	"Roseophilin, HCl salt"	135499311	"NSC650718; Roseophilin, HCl salt; CHEMBL1972359; NSC-650718; DB-085886; 1639866-74-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650718	.	.	.	.	489.5	C27H34Cl2N2O2	50.5	789	.	33	2	3	4	"InChI=1S/C27H33ClN2O2.ClH/c1-16(2)23-18-11-9-7-5-4-6-8-10-17-14-19(23)25(30-17)24(18)27-22(31-3)15-21(32-27)26-20(28)12-13-29-26;/h12-16,18,23,29H,4-11H2,1-3H3;1H"	CC(C)C1C2CCCCCCCCC3=NC(=C2C4=C(C=C(O4)C5=C(C=CN5)Cl)OC)C1=C3.Cl	YMPPSVBDNLVOPI-UHFFFAOYSA-N
DG69101	"3-Isoquinolinecarboxamide,8-dihydroxy-N-(phenylmethyl)-, hydrochloride"	135499320	"NSC651410; CHEMBL2000411; NSC-651410; 3-Isoquinolinecarboxamide,8-dihydroxy-N-(phenylmethyl)-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	651410	.	.	.	.	330.8	C17H15ClN2O3	82.4	384	.	23	4	4	3	"InChI=1S/C17H14N2O3.ClH/c20-15-7-6-12-8-14(18-10-13(12)16(15)21)17(22)19-9-11-4-2-1-3-5-11;/h1-8,10,20-21H,9H2,(H,19,22);1H"	C1=CC=C(C=C1)CNC(=O)C2=NC=C3C(=C2)C=CC(=C3O)O.Cl	ANRVBDJGFNEUJK-UHFFFAOYSA-N
DG69102	(4E)-2-(2-hydroxybenzoyl)-4-[(2-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one	135499334	NSC652173; SCHEMBL12857585; ZINC100807888; NSC-652173; (4E)-2-(2-hydroxybenzoyl)-4-[(2-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one; 1-[(2-Hydroxyphenyl)carbonyl]-4-[(2-hydroxyphenyl)methylene]-3-methyl-2-pyrazolin-5-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652173	.	.	.	.	322.3	C18H14N2O4	90.2	584	3.1	24	2	5	2	"InChI=1S/C18H14N2O4/c1-11-14(10-12-6-2-4-8-15(12)21)18(24)20(19-11)17(23)13-7-3-5-9-16(13)22/h2-10,21-22H,1H3/b14-10+"	CC\\1=NN(C(=O)/C1=C/C2=CC=CC=C2O)C(=O)C3=CC=CC=C3O	POUVHVLYRAMAON-GXDHUFHOSA-N
DG69103	1-(2-Hydroxybenzoyl)-3-methyl-4-(4-hydroxybenzylidene)-2-pyrazoline-5-one	135499335	NSC652177; SCHEMBL12857587; ZINC100807910; NSC-652177; 1-(2-Hydroxybenzoyl)-3-methyl-4-(4-hydroxybenzylidene)-2-pyrazoline-5-one; (4E)-2-(2-hydroxybenzoyl)-4-[(4-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one; 1-[(2-Hydroxyphenyl)carbonyl]-4-[(4-hydroxyphenyl)methylene]-3-methyl-2-pyrazolin-5-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652177	.	.	.	.	322.3	C18H14N2O4	90.2	576	3.1	24	2	5	2	"InChI=1S/C18H14N2O4/c1-11-15(10-12-6-8-13(21)9-7-12)18(24)20(19-11)17(23)14-4-2-3-5-16(14)22/h2-10,21-22H,1H3/b15-10+"	CC\\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)O)C(=O)C3=CC=CC=C3O	MZQWCAPKLLGVAL-XNTDXEJSSA-N
DG69104	1-[(2-Hydroxyphenyl)carbonyl]-4-[(3-methoxy-4-hydroxyphenyl)methylene]-3-methyl-2-pyrazolin-5-one	135499336	NSC652179; NSC-652179; ZINC5842720; (4E)-2-(2-hydroxybenzoyl)-4-[(4-hydroxy-3-methoxy-phenyl)methylene]-5-methyl-pyrazol-3-one; 1-[(2-Hydroxyphenyl)carbonyl]-4-[(3-methoxy-4-hydroxyphenyl)methylene]-3-methyl-2-pyrazolin-5-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652179	.	.	.	.	352.3	C19H16N2O5	99.4	629	3.1	26	2	6	3	"InChI=1S/C19H16N2O5/c1-11-14(9-12-7-8-16(23)17(10-12)26-2)19(25)21(20-11)18(24)13-5-3-4-6-15(13)22/h3-10,22-23H,1-2H3/b14-9+"	CC\\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)O)OC)C(=O)C3=CC=CC=C3O	URAHCRSLMJYETI-NTEUORMPSA-N
DG69105	(4Z)-4-[(4-hydroxy-3-methoxy-phenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one	135499341	"NSC652197; CHEMBL1972512; NSC-652197; (4Z)-4-[(4-hydroxy-3-methoxy-phenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one; 4-(4-Hydroxy-3-methoxybenzylidene)-5-methyl-2-(phenylacetyl)-2,4-dihydro-3H-pyrazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652197	.	.	.	.	350.4	C20H18N2O4	79.2	607	2.8	26	1	5	4	"InChI=1S/C20H18N2O4/c1-13-16(10-15-8-9-17(23)18(11-15)26-2)20(25)22(21-13)19(24)12-14-6-4-3-5-7-14/h3-11,23H,12H2,1-2H3/b16-10-"	CC\\1=NN(C(=O)/C1=C\\C2=CC(=C(C=C2)O)OC)C(=O)CC3=CC=CC=C3	NYWQZMIMTHVOQS-YBEGLDIGSA-N
DG69106	[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxy-phenylmethyl]phosphonic acid;azane	135499350	NSC653813; CHEMBL1968985; NSC-653813	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653813	.	.	.	.	382.31	C14H19N6O5P	153	576	.	26	5	8	6	"InChI=1S/C14H16N5O5P.H3N/c15-14-17-11-10(12(20)18-14)16-8-19(11)6-7-24-13(25(21,22)23)9-4-2-1-3-5-9;/h1-5,8,13H,6-7H2,(H2,21,22,23)(H3,15,17,18,20);1H3"	C1=CC=C(C=C1)C(OCCN2C=NC3=C2N=C(NC3=O)N)P(=O)(O)O.N	XVVQPLNFONLWNQ-UHFFFAOYSA-N
DG69107	"3-amino-5-[(Z)-1-cyano-2-(3,4-dihydroxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile"	135499353	NSC654710; CHEMBL1978156; NSC-654710	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654710	.	.	.	.	343.3	C19H13N5O2	132	626	2.9	26	3	6	3	"InChI=1S/C19H13N5O2/c20-10-13(8-12-6-7-16(25)17(26)9-12)18-15(11-21)19(22)23-24(18)14-4-2-1-3-5-14/h1-9,25-26H,(H2,22,23)/b13-8+"	C1=CC=C(C=C1)N2C(=C(C(=N2)N)C#N)/C(=C/C3=CC(=C(C=C3)O)O)/C#N	BAEMHYCNOSHCIL-MDWZMJQESA-N
DG69108	"3-Isoquinolinecarboxylic acid, 7,8-dihydroxy-, methyl ester, hydrochloride"	135499358	"NSC655247; SCHEMBL7593474; CHEMBL1976332; NSC-655247; 3-Isoquinolinecarboxylic acid, 7,8-dihydroxy-, methyl ester, hydrochloride; Isoquinoline-3-carboxylic acid,8-dihydroxy-, methyl ester, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	655247	.	.	.	.	255.65	C11H10ClNO4	79.6	271	.	17	3	5	2	"InChI=1S/C11H9NO4.ClH/c1-16-11(15)8-4-6-2-3-9(13)10(14)7(6)5-12-8;/h2-5,13-14H,1H3;1H"	COC(=O)C1=NC=C2C(=C1)C=CC(=C2O)O.Cl	YGQBEVKPTRQMAI-UHFFFAOYSA-N
DG69109	NSC656205	135499366	"2-amino-3-[5-[[(1S,14S)-11-hydroxy-18-oxo-15-thia-9,13-diaza-4-azoniaheptacyclo[12.6.1.13,7.01,16.02,12.04,19.010,22]docosa-2(12),3,7(22),8,10,16,19-heptaen-20-yl]sulfanyl]-3-methylimidazol-4-yl]propanoic acid;chloride; NSC656205; NSC-656205"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656205	.	.	.	.	569.1	C25H21ClN6O4S2	196	1490	.	38	4	11	5	"InChI=1S/C25H20N6O4S2.ClH/c1-30-8-28-23(11(30)4-10(26)24(34)35)37-22-19-12(32)5-13-25(22)6-14(36-13)29-18-16(25)20-15-9(2-3-31(19)20)7-27-17(15)21(18)33;/h5,7-8,10,14H,2-4,6,26H2,1H3,(H2,27,29,33,34,35);1H/t10 ,14-,25+;/m0./s1"	CN1C=NC(=C1CC(C(=O)O)N)SC2=C3C(=O)C=C4[C@@]25C[C@H](S4)NC6=C5C7=[N+]3CCC8=C7C(=C6O)N=C8.[Cl-]	PLMFRIQQSMGVDS-ZOSAEHQHSA-N
DG69110	3-(3-Bromo-4-hydroxy-5-methoxyphenyl)-2-(2-pyridinyl)acrylonitrile	135499406	NSC659325; CHEMBL1966271; ZINC5068214; AKOS000959598; NSC-659325; AB00712893-01; 3-(3-Bromo-4-hydroxy-5-methoxyphenyl)-2-(2-pyridinyl)acrylonitrile; (Z)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(2-pyridyl)prop-2-enenitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659325	.	.	.	.	331.16	C15H11BrN2O2	66.1	404	3	20	1	4	3	"InChI=1S/C15H11BrN2O2/c1-20-14-8-10(7-12(16)15(14)19)6-11(9-17)13-4-2-3-5-18-13/h2-8,19H,1H3/b11-6+"	COC1=C(C(=CC(=C1)/C=C(\\C#N)/C2=CC=CC=N2)Br)O	TXIWYRNROHWKHD-IZZDOVSWSA-N
DG69111	"3-Pyrrolin-2-one, 4-hydroxy-5-(p-hydroxybenzyl)-3-(N-phenylacetimidoyl)-"	135500557	"MLS002703540; 33016-13-6; 3-Pyrrolin-2-one, 4-hydroxy-5-(p-hydroxybenzyl)-3-(N-phenylacetimidoyl)-; NSC100434; CHEMBL1709716; NSC-100434; 2,4-Pyrrolidinedione, 5-((4-hydroxyphenyl)methyl)-3-(1-(phenylamino)ethylidine)-; 5-((4-Hydroxyphenyl)methyl)-3-(1-(phenylamino)ethylidine)-2,4-pyrrolidinedione; SMR001570257; 3-(1-Anilinoethylidene)-5-(4-hydroxybenzyl)-2,4-pyrrolidinedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	100434	.	.	.	.	322.4	C19H18N2O3	81.9	527	2.4	24	3	4	4	"InChI=1S/C19H18N2O3/c1-12(20-14-5-3-2-4-6-14)17-18(23)16(21-19(17)24)11-13-7-9-15(22)10-8-13/h2-10,16,22-23H,11H2,1H3,(H,21,24)"	CC(=NC1=CC=CC=C1)C2=C(C(NC2=O)CC3=CC=C(C=C3)O)O	CDSZPMMTWNONAM-UHFFFAOYSA-N
DG69112	2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl benzoate	135501538	NSC637507; CHEMBL1992619; 2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl benzoate; ZINC1625210; NSC-637507; NCI60_012422; 2-(2-benzamido-6-hydroxy-purin-7-yl)ethyl benzoate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637507	.	.	.	.	403.4	C21H17N5O4	115	685	2.2	30	2	6	7	"InChI=1S/C21H17N5O4/c27-18(14-7-3-1-4-8-14)24-21-23-17-16(19(28)25-21)26(13-22-17)11-12-30-20(29)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H2,23,24,25,27,28)"	C1=CC=C(C=C1)C(=O)NC2=NC3=C(C(=O)N2)N(C=N3)CCOC(=O)C4=CC=CC=C4	USPKQGSSAICBHS-UHFFFAOYSA-N
DG69113	"Benzoic acid, [(2-hydroxy-3-methoxyphenyl)methylene]hydrazide"	135502114	"NSC268695; ZINC17062599; NSC-268695; Benzoic acid, [(2-hydroxy-3-methoxyphenyl)methylene]hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	268695	.	.	.	.	339.4	C19H21N3O3	74.2	465	3.1	25	2	5	5	"InChI=1S/C19H21N3O3/c1-25-17-10-6-7-14(18(17)23)13-20-21-19(24)15-8-2-3-9-16(15)22-11-4-5-12-22/h2-3,6-10,13,23H,4-5,11-12H2,1H3,(H,21,24)/b20-13+"	COC1=CC=CC(=C1O)/C=N/NC(=O)C2=CC=CC=C2N3CCCC3	MXGBAOGKXDTMLE-DEDYPNTBSA-N
DG69114	NSC306711	135502222	"Cuprate(3-),5-dihydro-3-methyl-5-(oxo-kappaO)-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo-kappaN1]-3,3'-di(hydroxy-kappaO)[1,1'-biphenyl]-4-yl]azo-kappaN1]-5-(hydroxy-kappaO)-1,3-naphthalenedisulfonato(7-)]]di-, trihydrogen; 813419-93-1; Cuprate(3-),5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo-.kappa.N1]-3,3'-di(hydroxy-.kappa.O)[1,1'-biphenyl]-4-yl]azo-.kappa.N1]-5-(hydroxy-.kappa.O)-1,3-naphthalenedisulfonato(7-)]]di-, trihydrogen"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	306711	.	.	.	.	969.8	C33H21Cu2N7NaO13S3-	373	1760	.	59	1	18	2	"InChI=1S/C33H27N7O13S3.2Cu.Na/c1-16-31(33(44)40(37-16)19-5-7-20(8-6-19)54(45,46)47)38-39(2)24-12-4-18(14-26(24)42)17-3-10-22(25(41)13-17)35-36-23-11-9-21-27(55(48,49)50)15-28(56(51,52)53)30(34)29(21)32(23)43;;;/h3-15H,1-2H3,(H8,34,35,36,37,38,41,42,43,44,45,46,47,48,49,50,51,52,53);;;/q;2*+2;+1/p-6"	CC1=NN(C(=C1N=[N+](C)C2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4=C(C5=C(C=C4)C(=CC(=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])[O-])[O-])C6=CC=C(C=C6)S(=O)(=O)[O-].[Na+].[Cu+2].[Cu+2]	IOMMPXQCMVXULH-UHFFFAOYSA-H
DG69115	4-[(4-carbamimidoylphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;hydrochloride	135502362	CHEMBL1981849; NSC359466	.	.	Investigative Drug(s)	Investigative	Small molecular drug	359466	.	.	.	.	445.9	C24H20ClN5O2	124	654	.	32	5	5	5	"InChI=1S/C24H19N5O2.ClH/c25-23(26)15-10-12-18(13-11-15)28-29-21-19-9-5-4-6-16(19)14-20(22(21)30)24(31)27-17-7-2-1-3-8-17;/h1-14,30H,(H3,25,26)(H,27,31);1H"	C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=C(C=C4)C(=N)N.Cl	NFCJIVVKCRXVPH-UHFFFAOYSA-N
DG69116	"4-Oxo-1-pentofuranosyl-2,4-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboximidamide--hydrogen chloride (1/1)"	135502367	"90914-48-0; DTXSID20639371; NSC367413; NSC-367413; 4-Oxo-1-pentofuranosyl-2,4-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboximidamide--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	367413	.	.	.	.	346.73	C11H15ClN6O5	179	515	.	23	7	8	3	"InChI=1S/C11H14N6O5.ClH/c12-8(13)5-4-9(14-2-15-10(4)21)17(16-5)11-7(20)6(19)3(1-18)22-11;/h2-3,6-7,11,18-20H,1H2,(H3,12,13)(H,14,15,21);1H"	C1=NC2=C(C(=NN2C3C(C(C(O3)CO)O)O)C(=N)N)C(=O)N1.Cl	PVJKNKLXEAXWCF-UHFFFAOYSA-N
DG69117	"1H-Benzotriazolium,4-diamino-6-ethyl-5-pyrimidinyl)-1-hydroxy-2-phenyl-, hydroxide, inner salt"	135502406	"CHEMBL188744; CHEMBL2005075; BDBM50410186; NSC382054; NSC-382054; 1H-Benzotriazolium,4-diamino-6-ethyl-5-pyrimidinyl)- 1-hydroxy-2-phenyl-, hydroxide, inner salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382054	.	.	.	.	347.4	C18H17N7O	121	475	3.6	26	2	6	3	"InChI=1S/C18H17N7O/c1-2-13-16(17(19)22-18(20)21-13)11-8-9-14-15(10-11)25(26)24(23-14)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H4,19,20,21,22)"	CCC1=C(C(=NC(=N1)N)N)C2=CC3=[N+](N(N=C3C=C2)C4=CC=CC=C4)[O-]	ZVHVJEWJNSDXDB-UHFFFAOYSA-N
DG69118	"Cyclopentane-1,3-trione 2-p-methoxyphenylhydrazone"	135503400	"NSC622004; CHEMBL2006812; NSC-622004; NCI60_006409; Cyclopentane-1,3-trione 2-p-methoxyphenylhydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622004	.	.	.	.	232.23	C12H12N2O3	71.2	355	1.9	17	1	5	3	"InChI=1S/C12H12N2O3/c1-17-9-4-2-8(3-5-9)13-14-12-10(15)6-7-11(12)16/h2-5,15H,6-7H2,1H3"	COC1=CC=C(C=C1)N=NC2=C(CCC2=O)O	BWQWNMGNCWVGMR-UHFFFAOYSA-N
DG69119	"6-(bromomethyl)-2,3-dimethyl-5H-imidazo[4,5-g]quinazoline-4,8,9-trione"	135503402	"121732-15-8; 6-(bromomethyl)-2,3-dimethyl-5H-imidazo[4,5-g]quinazoline-4,8,9-trione; 3H-Imidazo[4,5-g]quinazoline-4,8,9(5H)-trione,  6-(bromomethyl)-2,3-dimethyl-  (9CI); NSC622243; CHEMBL1976575; NSC-622243; NCI60_006467"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622243	.	.	.	.	337.13	C12H9BrN4O3	93.4	598	0.6	20	1	5	1	"InChI=1S/C12H9BrN4O3/c1-4-14-8-9(17(4)2)11(19)7-6(10(8)18)12(20)16-5(3-13)15-7/h3H2,1-2H3,(H,15,16,20)"	CC1=NC2=C(N1C)C(=O)C3=C(C2=O)C(=O)NC(=N3)CBr	UMATXTVTALLULJ-UHFFFAOYSA-N
DG69120	"4-amino-1-(2-hydroxyethoxymethyl)-5H-pyrazolo[3,4-d]pyrimidin-6-one"	135503407	NSC622936; CHEMBL2006490; ZINC6499797; NSC-622936; NCI60_006795	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622936	.	.	.	.	225.2	C8H11N5O3	113	401	-2.2	16	3	5	4	"InChI=1S/C8H11N5O3/c9-6-5-3-10-13(4-16-2-1-14)7(5)12-8(15)11-6/h3,14H,1-2,4H2,(H3,9,11,12,15)"	C1=NN(C2=NC(=O)NC(=C21)N)COCCO	SMDUTKLXOXIYQO-UHFFFAOYSA-N
DG69121	"7-(3-N-Ethylacetamido-2-hydroxypropoxy)-1,4-benzo triazin-3-amine-1,4-dioxide"	135503408	"NSC623600; CHEMBL1967490; NSC-623600; NCI60_006989; 7-(3-N-Ethylacetamido-2-hydroxypropoxy)-1,4-benzo triazin-3-amine-1,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623600	.	.	.	.	337.33	C14H19N5O5	140	428	-0.6	24	2	7	6	"InChI=1S/C14H19N5O5/c1-3-17(9(2)20)7-10(21)8-24-11-4-5-12-13(6-11)19(23)16-14(15)18(12)22/h4-6,10,21H,3,7-8H2,1-2H3,(H2,15,16)"	CCN(CC(COC1=CC2=C(C=C1)[N+](=C(N=[N+]2[O-])N)[O-])O)C(=O)C	JWLDKAVCUWWQKX-UHFFFAOYSA-N
DG69122	"3-(2-N,2,4-benzotriazine 1,4-dioxide. Hemihydrate"	135503433	"NSC628915; CHEMBL1995775; NSC-628915; NCI60_009357; NCI60_009366; 3-(2-N,2,4-benzotriazine 1,4-dioxide. Hemihydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628915	.	.	.	.	277.32	C13H19N5O2	79.1	290	1.1	20	1	5	6	"InChI=1S/C13H19N5O2/c1-3-16(4-2)10-9-14-13-15-18(20)12-8-6-5-7-11(12)17(13)19/h5-8H,3-4,9-10H2,1-2H3,(H,14,15)"	CCN(CC)CCNC1=[N+](C2=CC=CC=C2[N+](=N1)[O-])[O-]	SABMRSZLBCPTEB-UHFFFAOYSA-N
DG69123	"3-(3,N-diethylaminopropylamino)-1,2,4-benzotriazine 1,4-dioxide. 0.33 Hydrate"	135503434	"NSC628916; SCHEMBL6365056; CHEMBL1982289; NSC-628916; NCI60_009367; 3-(3,N-diethylaminopropylamino)-1,2,4-benzotriazine 1,4-dioxide. 0.33 Hydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628916	.	.	.	.	291.35	C14H21N5O2	79.1	303	1.5	21	1	5	7	"InChI=1S/C14H21N5O2/c1-3-17(4-2)11-7-10-15-14-16-19(21)13-9-6-5-8-12(13)18(14)20/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,15,16)"	CCN(CC)CCCNC1=[N+](C2=CC=CC=C2[N+](=N1)[O-])[O-]	AAPGFUPMASLWMI-UHFFFAOYSA-N
DG69124	"dimethyl 2,10-bis(3-imino-5-oxo-2H-imidazo[2,1-c][1,2,4]triazol-6-yl)undecanedioate"	135503466	"NSC636365; CHEMBL2000477; NSC-636365; NCI60_012107; dimethyl 2,10-bis(3-imino-5-oxo-2H-imidazo[2,1-c][1,2,4]triazol-6-yl)undecanedioate; Dimethyl 2,10-bis(3-imino-5-oxo-2,5-dihydro-3H-imidazo[2,1-c][1,2,4]triazol-6-yl)undecanedioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636365	.	.	.	.	514.5	C21H26N10O6	226	888	4.1	37	4	12	14	"InChI=1S/C21H26N10O6/c1-36-16(34)10(12-14(32)30-18(22)26-28-20(30)24-12)8-6-4-3-5-7-9-11(17(35)37-2)13-15(33)31-19(23)27-29-21(31)25-13/h10-11,22-23,32-33H,3-9H2,1-2H3"	COC(=O)C(CCCCCCCC(C1=C(N2C(=N)N=NC2=N1)O)C(=O)OC)C3=C(N4C(=N)N=NC4=N3)O	AZYAGTVTUPXTHF-UHFFFAOYSA-N
DG69125	2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl methanesulfonate	135503473	NSC637516; CHEMBL2006444; ZINC8653313; 2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl methanesulfonate; NSC-637516; NCI60_012429; 2-(2-benzamido-6-hydroxy-purin-7-yl)ethyl methanesulfonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637516	.	.	.	.	377.4	C15H15N5O5S	140	683	0.1	26	2	7	6	"InChI=1S/C15H15N5O5S/c1-26(23,24)25-8-7-20-9-16-12-11(20)14(22)19-15(17-12)18-13(21)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,17,18,19,21,22)"	CS(=O)(=O)OCCN1C=NC2=C1C(=O)NC(=N2)NC(=O)C3=CC=CC=C3	VJLSJEBFFQRVQX-UHFFFAOYSA-N
DG69126	PAPA NONOate	135503978	"PAPA NONOate; 146672-58-4; N-[3-aminopropyl(propyl)amino]-N-hydroxynitrous amide; 1-Propanamine, 3-(2-hydroxy-2-nitroso-1-propylhydrazinyl)-; NSC634220; NOC-15; N-propylpropaneciamine Nitric Oxide Adduct; 3-(2-Hydroxy-2-nitroso-1-propylhydrazino)-1-propanamine; DTXSID70163434; CHEBI:189230; AKOS006229656; SR-01000946619; J-008242; SR-01000946619-1; 1-(3-Aminopropyl)-3-hydroxy-1-propyltriazane 2-oxide; (Z)-[3-aminopropyl(propyl)amino]-hydroxyimino-oxidoazanium; [[3-aminopropyl(propyl)amino]-oxo-ammonio]-hydroxy-azanide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634220	.	.	.	.	176.22	C6H16N4O2	90.6	140	0.8	12	2	5	6	"InChI=1S/C6H16N4O2/c1-2-5-9(6-3-4-7)10(12)8-11/h11H,2-7H2,1H3/b10-8-"	CCCN(CCCN)/[N+](=N/O)/[O-]	QODRTFHTYGHQMT-NTMALXAHSA-N
DG69127	"5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-chloro-4-fluorophenyl)-1,2-dihydro-3H-pyrrol-3-one"	135504535	"ZINC791099; NSC732964; AKOS000535008; MCULE-1773699457; NSC-732964; 5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-chloro-4-fluorophenyl)-1,2-dihydro-3H-pyrrol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732964	.	.	.	.	359.8	C17H11ClFN3OS	88.4	560	3.7	24	2	5	2	"InChI=1S/C17H11ClFN3OS/c18-10-7-9(5-6-11(10)19)22-8-13(23)15(16(22)20)17-21-12-3-1-2-4-14(12)24-17/h1-7,20,23H,8H2"	C1C(=C(C(=N)N1C2=CC(=C(C=C2)F)Cl)C3=NC4=CC=CC=C4S3)O	PAYYFJQVFDOHIQ-UHFFFAOYSA-N
DG69128	"2,11-dihydroxy-4,6,7,9-tetramethoxy-1,12-bis[(E)-prop-1-enyl]perylene-3,10-dione"	135505160	NSC693562; CHEMBL1968247; NSC-693562	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693562	.	.	.	.	514.5	C30H26O8	112	1020	5.2	38	2	8	6	"InChI=1S/C30H26O8/c1-7-9-13-19-20-14(10-8-2)28(32)30(34)24-18(38-6)12-16(36-4)22(26(20)24)21-15(35-3)11-17(37-5)23(25(19)21)29(33)27(13)31/h7-12,31-32H,1-6H3/b9-7+,10-8+"	C/C=C/C1=C(C(=O)C2=C(C=C(C3=C4C5=C(C1=C23)C(=C(C(=O)C5=C(C=C4OC)OC)O)/C=C/C)OC)OC)O	JTIFIHHOOYLSOC-FIFLTTCUSA-N
DG69129	"Phenol, 4-nitro-2-[[(4-phenyl-2-thiazolyl)imino]methyl]-"	135505166	"Phenol, 4-nitro-2-[[(4-phenyl-2-thiazolyl)imino]methyl]-; 112120-10-2; 4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol; NSC697488; CHEMBL1993271; DTXSID70420216; AKOS024275544; NSC-697488"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697488	.	.	.	.	325.3	C16H11N3O3S	120	437	3.7	23	1	6	3	"InChI=1S/C16H11N3O3S/c20-15-7-6-13(19(21)22)8-12(15)9-17-16-18-14(10-23-16)11-4-2-1-3-5-11/h1-10,20H/b17-9+"	C1=CC=C(C=C1)C2=CSC(=N2)/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])O	WEHOGRSUNLNPPI-RQZCQDPDSA-N
DG69130	"N'-[(E)-[(2S)-2-(3-methoxyphenyl)-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide"	135505170	NSC700261; CHEMBL1992378; NSC-700261	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700261	.	.	.	.	442.5	C26H26N4O3	91.8	706	4.3	33	3	5	5	"InChI=1S/C26H26N4O3/c1-17(18-9-4-3-5-10-18)27-25(31)26(32)30-29-24-16-23(19-11-8-12-20(15-19)33-2)28-22-14-7-6-13-21(22)24/h3-15,17,23,28H,16H2,1-2H3,(H,27,31)(H,30,32)/b29-24+/t17-,23-/m0/s1"	C[C@@H](C1=CC=CC=C1)NC(=O)C(=O)N/N=C/2\\C[C@H](NC3=CC=CC=C23)C4=CC(=CC=C4)OC	KCRLNXQTWQLXKK-ZYDDJUIZSA-N
DG69131	"N'-[(E)-[(6S)-6-(3-methoxyphenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide"	135505171	NSC700262; CHEMBL1994835; NSC-700262	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700262	.	.	.	.	486.5	C27H26N4O5	110	816	4.1	36	3	7	5	"InChI=1S/C27H26N4O5/c1-16(17-7-4-3-5-8-17)28-26(32)27(33)31-30-23-13-21(18-9-6-10-19(11-18)34-2)29-22-14-25-24(12-20(22)23)35-15-36-25/h3-12,14,16,21,29H,13,15H2,1-2H3,(H,28,32)(H,31,33)/b30-23+/t16-,21-/m0/s1"	C[C@@H](C1=CC=CC=C1)NC(=O)C(=O)N/N=C/2\\C[C@H](NC3=CC4=C(C=C23)OCO4)C5=CC(=CC=C5)OC	DQCYPSWFLGWNBO-LOPUPNDHSA-N
DG69132	"N'-[(E)-[(2R)-2-(3-methoxyphenyl)-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide"	135505172	CHEMBL1969703; NSC700264; NSC-700264	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700264	.	.	.	.	442.5	C26H26N4O3	91.8	706	4.3	33	3	5	5	"InChI=1S/C26H26N4O3/c1-17(18-9-4-3-5-10-18)27-25(31)26(32)30-29-24-16-23(19-11-8-12-20(15-19)33-2)28-22-14-7-6-13-21(22)24/h3-15,17,23,28H,16H2,1-2H3,(H,27,31)(H,30,32)/b29-24+/t17-,23+/m0/s1"	C[C@@H](C1=CC=CC=C1)NC(=O)C(=O)N/N=C/2\\C[C@@H](NC3=CC=CC=C23)C4=CC(=CC=C4)OC	KCRLNXQTWQLXKK-GPVILSQPSA-N
DG69133	"4-[(E)-1H-indol-3-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one"	135505175	NSC702403; CHEMBL1975745; NSC-702403	.	.	Investigative Drug(s)	Investigative	Small molecular drug	702403	.	.	.	.	303.32	C17H13N5O	72.8	511	2.8	23	2	3	3	"InChI=1S/C17H13N5O/c23-17-21-20-16(12-6-2-1-3-7-12)22(17)19-11-13-10-18-15-9-5-4-8-14(13)15/h1-11,18H,(H,21,23)/b19-11+"	C1=CC=C(C=C1)C2=NNC(=O)N2/N=C/C3=CNC4=CC=CC=C43	JZWDHVPFMLTADC-YBFXNURJSA-N
DG69134	"4-[(Z)-2-[5-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]ethenyl]-2-methoxyphenol"	135505177	CHEMBL1964992; NSC703321; NSC-703321	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703321	.	.	.	.	382.4	C20H18N2O4S	113	474	4.2	27	2	7	6	"InChI=1S/C20H18N2O4S/c1-25-17-11-13(3-7-15(17)23)5-9-19-21-22-20(27-19)10-6-14-4-8-16(24)18(12-14)26-2/h3-12,23-24H,1-2H3/b9-5-,10-6-"	COC1=C(C=CC(=C1)/C=C\\C2=NN=C(S2)/C=C\\C3=CC(=C(C=C3)O)OC)O	PCZBKAXPWQZFKL-OZDSWYPASA-N
DG69135	"4-[(Z)-2-[5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]ethenyl]benzene-1,2-diol"	135505178	CHEMBL1988989; NSC703322; NSC-703322	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703322	.	.	.	.	354.4	C18H14N2O4S	135	448	3.6	25	4	7	4	"InChI=1S/C18H14N2O4S/c21-13-5-1-11(9-15(13)23)3-7-17-19-20-18(25-17)8-4-12-2-6-14(22)16(24)10-12/h1-10,21-24H/b7-3-,8-4-"	C1=CC(=C(C=C1/C=C\\C2=NN=C(S2)/C=C\\C3=CC(=C(C=C3)O)O)O)O	KAFQFUKQGFVORO-VHOZIDCHSA-N
DG69136	N-[(Z)-[[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide	135505181	NSC703550; CHEMBL1998977; CCG-102477; NSC-703550	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703550	.	.	.	.	491.6	C29H29N7O	117	860	5.6	37	1	6	10	"InChI=1S/C29H29N7O/c1-21-6-10-24(11-7-21)29(37)35-34-28(33-32-25-12-8-22(2)9-13-25)27-15-14-26(20-23(27)3)36(18-4-16-30)19-5-17-31/h6-15,20H,4-5,18-19H2,1-3H3,(H,35,37)/b33-32 ,34-28-"	CC1=CC=C(C=C1)C(=O)N/N=C(/C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)\\N=NC3=CC=C(C=C3)C	FSLXBXKPYUONSW-WVGCUDDDSA-N
DG69137	N-[(Z)-[[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]-[(2-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide	135505183	NSC703552; CHEMBL1994222; NSC-703552	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703552	.	.	.	.	507.6	C29H29N7O2	126	888	5.2	38	1	7	11	"InChI=1S/C29H29N7O2/c1-21-10-12-23(13-11-21)29(37)35-34-28(33-32-26-8-4-5-9-27(26)38-3)25-15-14-24(20-22(25)2)36(18-6-16-30)19-7-17-31/h4-5,8-15,20H,6-7,18-19H2,1-3H3,(H,35,37)/b33-32 ,34-28-"	CC1=CC=C(C=C1)C(=O)N/N=C(/C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)\\N=NC3=CC=CC=C3OC	QLQSGAWTYOFNDE-WVGCUDDDSA-N
DG69138	N-[(Z)-[[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide	135505185	NSC703554; CHEMBL1982197; NSC-703554	.	.	Investigative Drug(s)	Investigative	Small molecular drug	703554	.	.	.	.	522.6	C28H26N8O3	163	962	5.1	39	1	8	10	"InChI=1S/C28H26N8O3/c1-20-8-10-22(11-9-20)28(37)34-33-27(32-31-23-6-3-7-25(19-23)36(38)39)26-13-12-24(18-21(26)2)35(16-4-14-29)17-5-15-30/h3,6-13,18-19H,4-5,16-17H2,1-2H3,(H,34,37)/b32-31 ,33-27-"	CC1=CC=C(C=C1)C(=O)N/N=C(/C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)\\N=NC3=CC(=CC=C3)[N+](=O)[O-]	TYNQHLZRBIDFPV-UTOKPOFNSA-N
DG69139	N-[(Z)-[[4-(dimethylamino)phenyl]-[(3-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide	135505189	NSC704096; NSC-704096	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704096	.	.	.	.	399.5	C24H25N5O	69.4	601	5.9	30	1	4	6	"InChI=1S/C24H25N5O/c1-17-8-10-20(11-9-17)24(30)28-27-23(19-12-14-22(15-13-19)29(3)4)26-25-21-7-5-6-18(2)16-21/h5-16H,1-4H3,(H,28,30)/b26-25 ,27-23-"	CC1=CC=C(C=C1)C(=O)N/N=C(/C2=CC=C(C=C2)N(C)C)\\N=NC3=CC=CC(=C3)C	HYBJXCXREQRZMF-JZAMBYSNSA-N
DG69140	N-[(Z)-[[(2-chlorophenyl)diazenyl]-[4-(dimethylamino)phenyl]methylidene]amino]-4-methylbenzamide	135505191	NSC704098; CHEMBL1978087; NSC-704098	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704098	.	.	.	.	419.9	C23H22ClN5O	69.4	607	6.1	30	1	4	6	"InChI=1S/C23H22ClN5O/c1-16-8-10-18(11-9-16)23(30)28-27-22(17-12-14-19(15-13-17)29(2)3)26-25-21-7-5-4-6-20(21)24/h4-15H,1-3H3,(H,28,30)/b26-25 ,27-22-"	CC1=CC=C(C=C1)C(=O)N/N=C(/C2=CC=C(C=C2)N(C)C)\\N=NC3=CC=CC=C3Cl	TZTVCXVGFZVWIZ-UVAYCXRGSA-N
DG69141	N-[(Z)-[[4-(dimethylamino)phenyl]-[(3-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide	135505192	NSC704099; NSC-704099	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704099	.	.	.	.	415.5	C24H25N5O2	78.6	620	5.5	31	1	5	7	"InChI=1S/C24H25N5O2/c1-17-8-10-19(11-9-17)24(30)28-27-23(18-12-14-21(15-13-18)29(2)3)26-25-20-6-5-7-22(16-20)31-4/h5-16H,1-4H3,(H,28,30)/b26-25 ,27-23-"	CC1=CC=C(C=C1)C(=O)N/N=C(/C2=CC=C(C=C2)N(C)C)\\N=NC3=CC(=CC=C3)OC	FHXHOSMJBRZFCK-JZAMBYSNSA-N
DG69142	N-[(Z)-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide	135505193	NSC704100; NSC-704100	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704100	.	.	.	.	415.5	C24H25N5O2	78.6	612	5.5	31	1	5	7	"InChI=1S/C24H25N5O2/c1-17-5-7-19(8-6-17)24(30)28-27-23(18-9-13-21(14-10-18)29(2)3)26-25-20-11-15-22(31-4)16-12-20/h5-16H,1-4H3,(H,28,30)/b26-25 ,27-23-"	CC1=CC=C(C=C1)C(=O)N/N=C(/C2=CC=C(C=C2)N(C)C)\\N=NC3=CC=C(C=C3)OC	FAOHROBJSWOSPK-JZAMBYSNSA-N
DG69143	"(4Z)-4-(furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one"	135505209	NSC704862; CHEMBL2002646; NSC-704862	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704862	.	.	.	.	324.29	C13H16N4O6	160	521	-1.8	23	6	8	7	"InChI=1S/C13H16N4O6/c18-6-10(20)11(21)9(19)5-14-17-13-15-8(12(22)16-13)4-7-2-1-3-23-7/h1-5,9-11,18-21H,6H2,(H2,15,16,17,22)/b8-4-,14-5+"	C1=COC(=C1)/C=C\\2/C(=O)NC(=N2)N/N=C/C(C(C(CO)O)O)O	NSUPLEXBOCFUFS-NYQUBNGWSA-N
DG69144	"(5E)-5-[[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-yl]hydrazinylidene]pentane-1,2,3,4-tetrol"	135505210	NSC704863; CHEMBL2003687; NSC-704863	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704863	.	.	.	.	373.4	C17H19N5O5	167	586	-0.4	27	7	9	7	"InChI=1S/C17H19N5O5/c23-8-14(25)15(26)13(24)7-19-22-17-20-12(16(27)21-17)5-9-6-18-11-4-2-1-3-10(9)11/h1-7,13-15,23-27H,8H2,(H2,20,21,22)/b9-5+,19-7+"	C1=CC=C2C(=C1)/C(=C/C3=C(N=C(N3)N/N=C/C(C(C(CO)O)O)O)O)/C=N2	FSYITJUFFRMQIS-JDWHJCHUSA-N
DG69145	(4Z)-2-butylsulfanyl-4-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazol-5-one	135505211	NSC704868; CHEMBL1966710; NSC-704868	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704868	.	.	.	.	303.4	C16H21N3OS	70	423	3.6	21	1	4	6	"InChI=1S/C16H21N3OS/c1-4-5-10-21-16-17-14(15(20)18-16)11-12-6-8-13(9-7-12)19(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,20)/b14-11-"	CCCCSC1=N/C(=C\\C2=CC=C(C=C2)N(C)C)/C(=O)N1	SASDMWYESMARNS-KAMYIIQDSA-N
DG69146	(4Z)-4-[(2-hydroxyphenyl)methylidene]-2-(2-phenylhydrazinyl)-1H-imidazol-5-one	135505214	NSC704873; CHEMBL1971095; NSC-704873	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704873	.	.	.	.	294.31	C16H14N4O2	85.8	469	2.7	22	4	4	4	"InChI=1S/C16H14N4O2/c21-14-9-5-4-6-11(14)10-13-15(22)18-16(17-13)20-19-12-7-2-1-3-8-12/h1-10,19,21H,(H2,17,18,20,22)/b13-10-"	C1=CC=C(C=C1)NNC2=N/C(=C\\C3=CC=CC=C3O)/C(=O)N2	CJSWZAXLFCTHGQ-RAXLEYEMSA-N
DG69147	(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(2-phenylhydrazinyl)-1H-imidazol-5-one	135505216	NSC704875; CHEMBL1987190; NSC-704875	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704875	.	.	.	.	321.4	C18H19N5O	68.8	500	3.2	24	3	4	5	"InChI=1S/C18H19N5O/c1-23(2)15-10-8-13(9-11-15)12-16-17(24)20-18(19-16)22-21-14-6-4-3-5-7-14/h3-12,21H,1-2H3,(H2,19,20,22,24)/b16-12-"	CN(C)C1=CC=C(C=C1)/C=C\\2/C(=O)NC(=N2)NNC3=CC=CC=C3	SYOPARNWMBYTOQ-VBKFSLOCSA-N
DG69148	(4Z)-2-butylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one	135505222	NSC706023; CHEMBL1976025; NSC-706023	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706023	.	.	.	.	250.32	C12H14N2O2S	79.9	352	2.6	17	1	4	5	"InChI=1S/C12H14N2O2S/c1-2-3-7-17-12-13-10(11(15)14-12)8-9-5-4-6-16-9/h4-6,8H,2-3,7H2,1H3,(H,13,14,15)/b10-8-"	CCCCSC1=N/C(=C\\C2=CC=CO2)/C(=O)N1	KDSYLRQDBXLJCG-NTMALXAHSA-N
DG69149	(4Z)-4-(furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one	135505223	NSC706025; CHEMBL1986338; NSC-706025	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706025	.	.	.	.	268.27	C14H12N4O2	78.7	427	2.1	20	3	4	4	"InChI=1S/C14H12N4O2/c19-13-12(9-11-7-4-8-20-11)15-14(16-13)18-17-10-5-2-1-3-6-10/h1-9,17H,(H2,15,16,18,19)/b12-9-"	C1=CC=C(C=C1)NNC2=N/C(=C\\C3=CC=CO3)/C(=O)N2	GCTJNKUTZIFIJT-XFXZXTDPSA-N
DG69150	4-(1H-benzimidazol-2-yl)-N-[(E)-[2-(4-benzylphenyl)-1H-indol-3-yl]methylideneamino]aniline;hydrochloride	135505227	NSC706044; CHEMBL1973055; NSC-706044	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706044	.	.	.	.	554.1	C35H28ClN5	68.9	809	.	41	4	3	7	"InChI=1S/C35H27N5.ClH/c1-2-8-24(9-3-1)22-25-14-16-26(17-15-25)34-30(29-10-4-5-11-31(29)37-34)23-36-40-28-20-18-27(19-21-28)35-38-32-12-6-7-13-33(32)39-35;/h1-21,23,37,40H,22H2,(H,38,39);1H/b36-23+;"	C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=C(C4=CC=CC=C4N3)/C=N/NC5=CC=C(C=C5)C6=NC7=CC=CC=C7N6.Cl	ZGTWWBPGYHNABG-CWWQQMKRSA-N
DG69151	N-[(E)-[[4-[bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(2-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide	135505231	CHEMBL1996489; NSC706151; NSC-706151	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706151	.	.	.	.	507.6	C29H29N7O2	126	888	5.2	38	1	7	11	"InChI=1S/C29H29N7O2/c1-21-10-12-23(13-11-21)29(37)35-34-28(33-32-26-9-5-4-8-22(26)2)25-15-14-24(20-27(25)38-3)36(18-6-16-30)19-7-17-31/h4-5,8-15,20H,6-7,18-19H2,1-3H3,(H,35,37)/b33-32 ,34-28+"	CC1=CC=C(C=C1)C(=O)N/N=C(\\C2=C(C=C(C=C2)N(CCC#N)CCC#N)OC)/N=NC3=CC=CC=C3C	CNYPBBCKYVQRBR-UEWXSIHKSA-N
DG69152	N-[(E)-[[4-[bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(3-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide	135505232	CHEMBL1989141; NSC706152; NSC-706152	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706152	.	.	.	.	507.6	C29H29N7O2	126	888	5.2	38	1	7	11	"InChI=1S/C29H29N7O2/c1-21-9-11-23(12-10-21)29(37)35-34-28(33-32-24-8-4-7-22(2)19-24)26-14-13-25(20-27(26)38-3)36(17-5-15-30)18-6-16-31/h4,7-14,19-20H,5-6,17-18H2,1-3H3,(H,35,37)/b33-32 ,34-28+"	CC1=CC=C(C=C1)C(=O)N/N=C(\\C2=C(C=C(C=C2)N(CCC#N)CCC#N)OC)/N=NC3=CC=CC(=C3)C	SOJOBFGEBMGKFF-UEWXSIHKSA-N
DG69153	N-[(E)-[[4-[bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide	135505234	CHEMBL1989660; NSC706154; NSC-706154	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706154	.	.	.	.	523.6	C29H29N7O3	136	900	4.8	39	1	8	12	"InChI=1S/C29H29N7O3/c1-21-6-8-22(9-7-21)29(37)35-34-28(33-32-23-10-13-25(38-2)14-11-23)26-15-12-24(20-27(26)39-3)36(18-4-16-30)19-5-17-31/h6-15,20H,4-5,18-19H2,1-3H3,(H,35,37)/b33-32 ,34-28+"	CC1=CC=C(C=C1)C(=O)N/N=C(\\C2=C(C=C(C=C2)N(CCC#N)CCC#N)OC)/N=NC3=CC=C(C=C3)OC	MNEFCAVMJFMBBU-UEWXSIHKSA-N
DG69154	N-[(E)-[[4-[bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(3-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide	135505235	CHEMBL2003855; NSC706155; NSC-706155	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706155	.	.	.	.	523.6	C29H29N7O3	136	908	4.8	39	1	8	12	"InChI=1S/C29H29N7O3/c1-21-9-11-22(12-10-21)29(37)35-34-28(33-32-23-7-4-8-25(19-23)38-2)26-14-13-24(20-27(26)39-3)36(17-5-15-30)18-6-16-31/h4,7-14,19-20H,5-6,17-18H2,1-3H3,(H,35,37)/b33-32 ,34-28+"	CC1=CC=C(C=C1)C(=O)N/N=C(\\C2=C(C=C(C=C2)N(CCC#N)CCC#N)OC)/N=NC3=CC(=CC=C3)OC	ARUAPOGJJSATMT-UEWXSIHKSA-N
DG69155	(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)sulfamic acid	135505239	NSC707054; CHEMBL1995413; AKOS024365987; NSC-707054	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707054	.	.	.	.	305.11	C8H5BrN2O4S	104	441	0.8	16	2	5	1	"InChI=1S/C8H5BrN2O4S/c9-4-1-2-6-5(3-4)7(8(12)10-6)11-16(13,14)15/h1-3H,(H,10,11,12)(H,13,14,15)"	C1=CC2=C(C=C1Br)/C(=N/S(=O)(=O)O)/C(=O)N2	YIDREPMIEJXVFV-UHFFFAOYSA-N
DG69156	"3-[(E)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]-1,4-benzothiazin-2-one"	135505241	NSC707088; NSC-707088	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707088	.	.	.	.	385.4	C23H15NO3S	92	671	5.4	28	1	5	4	"InChI=1S/C23H15NO3S/c25-21(15-9-3-1-4-10-15)19(22(26)16-11-5-2-6-12-16)20-23(27)28-18-14-8-7-13-17(18)24-20/h1-14,25H/b21-19+"	C1=CC=C(C=C1)/C(=C(/C2=NC3=CC=CC=C3SC2=O)\\C(=O)C4=CC=CC=C4)/O	JHTQCNXWBKYADQ-XUTLUUPISA-N
DG69157	NSC708415	135505246	"2-ethoxy-4-[(E)-[2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]phenol; NSC708415; CHEMBL1975378; NSC-708415"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708415	.	.	.	.	518.6	C26H22N4O4S2	166	714	6.1	36	2	10	8	"InChI=1S/C26H22N4O4S2/c1-3-33-21-9-15(5-7-19(21)31)13-27-25-29-17-11-24-18(12-23(17)35-25)30-26(36-24)28-14-16-6-8-20(32)22(10-16)34-4-2/h5-14,31-32H,3-4H2,1-2H3/b27-13+,28-14+"	CCOC1=C(C=CC(=C1)/C=N/C2=NC3=CC4=C(C=C3S2)N=C(S4)/N=C/C5=CC(=C(C=C5)O)OCC)O	ZRHOLDGMPVFYAD-OCHFTUDZSA-N
DG69158	"2-[(E)-[2-[(E)-(2-hydroxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]phenol"	135505247	NSC708417; CHEMBL1988490; NSC-708417	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708417	.	.	.	.	430.5	C22H14N4O2S2	147	597	5.4	30	2	8	4	"InChI=1S/C22H14N4O2S2/c27-17-7-3-1-5-13(17)11-23-21-25-15-9-20-16(10-19(15)29-21)26-22(30-20)24-12-14-6-2-4-8-18(14)28/h1-12,27-28H/b23-11+,24-12+"	C1=CC=C(C(=C1)/C=N/C2=NC3=CC4=C(C=C3S2)N=C(S4)/N=C/C5=CC=CC=C5O)O	PQNJPFOPMSRZMH-ASIDMNOUSA-N
DG69159	"3-[[4-(1,2,4-triazol-1-yl)phenyl]iminomethyl]-1H-indol-2-ol"	135506564	GW301789X; SCHEMBL6413250; SCHEMBL6413257; CHEMBL1872880; HMS3303J17; HMS3305F21; NSC756215; NSC-756215; NCGC00242133-01; AB01092197-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756215	.	.	.	.	303.32	C17H13N5O	79.1	423	3.1	23	2	4	3	"InChI=1S/C17H13N5O/c23-17-15(14-3-1-2-4-16(14)21-17)9-19-12-5-7-13(8-6-12)22-11-18-10-20-22/h1-11,21,23H"	C1=CC=C2C(=C1)C(=C(N2)O)C=NC3=CC=C(C=C3)N4C=NC=N4	ZAWQQTPMPNRJCJ-UHFFFAOYSA-N
DG69160	"N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;nickel(2+);diacetate"	135508855	NSC625861; 1-[ ]ethanone; NSC-625861	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625861	.	.	.	.	486.9	C17H15Cl2N3NiO6	155	523	.	29	2	8	3	"InChI=1S/C13H9Cl2N3O2.2C2H4O2.Ni/c14-10-5-9(12(19)11(15)6-10)7-17-18-13(20)8-1-3-16-4-2-8;2*1-2(3)4;/h1-7,19H,(H,18,20);2*1H3,(H,3,4);/q;;;+2/p-2/b17-7+;;;"	CC(=O)[O-].CC(=O)[O-].C1=CN=CC=C1C(=O)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)O.[Ni+2]	UUPZKGNXJKDLPF-SLWJBZKLSA-L
DG69161	"(4Z,5Z)-1-[(E)-(2-hydroxyphenyl)methyleneamino]-3-phenyl-4,5-bis(phenylimino)imidazolidine-2-thione"	135509182	"NSC671409; CHEMBL1966172; ZINC104311725; ZINC104311731; ZINC104311734; ZINC104311737; NSC-671409; (4Z,5Z)-1-[(E)-(2-hydroxyphenyl)methyleneamino]-3-phenyl-4,5-bis(phenylimino)imidazolidine-2-thione; 2-Imidazolidinethione, 1-[[(1E)-(2-hydroxyphenyl)methylene]amino]-3-phenyl-4,5-bis(phenylimino)-, (4Z,5Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671409	.	.	.	.	475.6	C28H21N5OS	95.9	808	6.6	35	1	5	5	"InChI=1S/C28H21N5OS/c34-25-19-11-10-12-21(25)20-29-33-27(31-23-15-6-2-7-16-23)26(30-22-13-4-1-5-14-22)32(28(33)35)24-17-8-3-9-18-24/h1-20,34H/b29-20+,30-26 ,31-27 "	C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)N(C(=S)N2C4=CC=CC=C4)/N=C/C5=CC=CC=C5O	KWUIQNODWOOZHT-QVDNPPBZSA-N
DG69162	2-[2-[(Z)-benzylideneamino]-6-phenylpyrimidin-4-yl]-4-methylphenol	135509205	NSC678881; CHEMBL1993849; NSC-678881	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678881	.	.	.	.	365.4	C24H19N3O	58.4	498	5.2	28	1	4	4	"InChI=1S/C24H19N3O/c1-17-12-13-23(28)20(14-17)22-15-21(19-10-6-3-7-11-19)26-24(27-22)25-16-18-8-4-2-5-9-18/h2-16,28H,1H3/b25-16-"	CC1=CC(=C(C=C1)O)C2=NC(=NC(=C2)C3=CC=CC=C3)/N=C\\C4=CC=CC=C4	URHOGTCCBLCWCS-XYGWBWBKSA-N
DG69163	"Pyrimidin-2-amine, 4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-N-(phenylmethylene)-"	135509206	"NSC678882; CHEMBL1969974; NSC-678882; Pyrimidin-2-amine, 4-(2-hydroxy-4-methoxyphenyl)-6-phenyl- N-(phenylmethylene)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678882	.	.	.	.	381.4	C24H19N3O2	67.6	516	4.8	29	1	5	5	"InChI=1S/C24H19N3O2/c1-29-19-12-13-20(23(28)14-19)22-15-21(18-10-6-3-7-11-18)26-24(27-22)25-16-17-8-4-2-5-9-17/h2-16,28H,1H3/b25-16-"	COC1=CC(=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)/N=C\\C4=CC=CC=C4)O	MYTFQVYDIFUCFS-XYGWBWBKSA-N
DG69164	"Pyrimidin-2-amine, 4-(5-chloro-2-hydroxyphenyl)-6-phenyl-N-(phenylmethylene)-"	135509207	"NSC678883; CHEMBL2002508; NSC-678883; Pyrimidin-2-amine, 4-(5-chloro-2-hydroxyphenyl)-6-phenyl- N-(phenylmethylene)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678883	.	.	.	.	385.8	C23H16ClN3O	58.4	504	5.4	28	1	4	4	"InChI=1S/C23H16ClN3O/c24-18-11-12-22(28)19(13-18)21-14-20(17-9-5-2-6-10-17)26-23(27-21)25-15-16-7-3-1-4-8-16/h1-15,28H/b25-15+"	C1=CC=C(C=C1)/C=N/C2=NC(=CC(=N2)C3=C(C=CC(=C3)Cl)O)C4=CC=CC=C4	USNSTUWNPYHROR-MFKUBSTISA-N
DG69165	NSC682443	135509229	"(3S,8R,9S,10R,13S,14S,16Z,17Z)-17-hydrazinylidene-16-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol; CHEMBL2006281; NSC682443; NSC-682443"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682443	.	.	.	.	331.5	C19H29N3O2	91.2	641	2.4	24	3	5	0	"InChI=1S/C19H29N3O2/c1-18-7-5-12(23)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(22-24)17(19)21-20/h3,12-15,23-24H,4-10,20H2,1-2H3/b21-17+,22-16-/t12-,13+,14-,15-,18-,19-/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]\\4([C@H]3C/C(=N/O)/C4=N\\N)C)O	PZRLBEKSVFUJLE-DZSIGOOSSA-N
DG69166	3beta-Acetoxy-16-oxo-17-aza-D-homo-5-androsten-17alpha-one N-acetyl hydrazone	135509230	NSC682447; CHEMBL1968973; NSC-682447; 3.beta.-Acetoxy-16-oxo-17-aza-D-homo-5-androsten-17.alpha.-one N-acetyl hydrazone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682447	.	.	.	.	415.5	C23H33N3O4	96.9	834	2.3	30	2	5	3	"InChI=1S/C23H33N3O4/c1-13(27)25-26-21-23(4)10-8-18-17(19(23)12-20(29)24-21)6-5-15-11-16(30-14(2)28)7-9-22(15,18)3/h5,16-19H,6-12H2,1-4H3,(H,25,27)(H,24,26,29)/t16-,17+,18-,19-,22-,23-/m0/s1"	CC(=O)N/N=C\\1/[C@]2(CC[C@H]3[C@H]([C@@H]2CC(=O)N1)CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C	PBJGIBOVMXWWTJ-ALOMXMGUSA-N
DG69167	"2,4-Dihydroxybenzaldehyde 2-pyridylhydrazone"	135509512	"MLS002703456; .beta.-Resorcylaldehyde, 2-pyridylhydrazone; NSC98572; ZINC4737981; NSC-98572; AKOS000354686; 2,4-Dihydroxybenzaldehyde 2-pyridylhydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98572	.	.	.	.	229.23	C12H11N3O2	77.7	260	2.1	17	3	5	3	"InChI=1S/C12H11N3O2/c16-10-5-4-9(11(17)7-10)8-14-15-12-3-1-2-6-13-12/h1-8,16-17H,(H,13,15)/b14-8-"	C1=CC=NC(=C1)N/N=C\\C2=C(C=C(C=C2)O)O	NBSWRIBXGWRHMO-ZSOIEALJSA-N
DG69168	N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]pentanediamide	135509602	NSC106139; ZINC104081195; NSC-106139	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106139	.	.	.	.	437.3	C19H18Cl2N4O4	123	555	2.9	29	4	6	8	"InChI=1S/C19H18Cl2N4O4/c20-14-4-6-16(26)12(8-14)10-22-24-18(28)2-1-3-19(29)25-23-11-13-9-15(21)5-7-17(13)27/h4-11,26-27H,1-3H2,(H,24,28)(H,25,29)/b22-10-,23-11+"	C1=CC(=C(C=C1Cl)/C=N/NC(=O)CCCC(=O)N/N=C\\C2=C(C=CC(=C2)Cl)O)O	AOYUMLNWNHCSEF-BKNYSILLSA-N
DG69169	NSC106445	135509607	"2-chloro-3-[(2E)-2-[(4E)-4-[(3-chloro-1,4-dioxonaphthalen-2-yl)hydrazinylidene]-2,3-dihydrophthalazin-1-ylidene]hydrazinyl]naphthalene-1,4-dione; NSC106445; NSC-106445"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106445	.	.	.	.	571.4	C28H16Cl2N6O4	141	1180	5.9	40	4	8	4	"InChI=1S/C28H16Cl2N6O4/c29-19-21(25(39)15-9-3-1-7-13(15)23(19)37)31-33-27-17-11-5-6-12-18(17)28(36-35-27)34-32-22-20(30)24(38)14-8-2-4-10-16(14)26(22)40/h1-12,31-32H,(H,33,35)(H,34,36)"	C1=CC=C2C(=O)C(=C(C(=O)C2=C1)N/N=C\\3/NN/C(=N/NC4=C(C(=O)C5=CC=CC=C5C4=O)Cl)/C6=CC=CC=C36)Cl	CLYVTIMBEHOZSW-UHFFFAOYSA-N
DG69170	"2-hydroxy-N'-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2,2-diphenylacetohydrazide"	135509615	"NSC-106723; 78486-37-0; 2-hydroxy-N'-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2,2-diphenylacetohydrazide; MLS002703939; NSC106723; CHEMBL366532; DTXSID40573288; STK032801; ZINC73129091; AKOS003239323; BENZILIC ACID N-(2-HYDROXYBENZYLIDENE)HYDRAZIDE; 2-hydroxy-N'-[(E)-(2-hydroxyphenyl)methylidene]-2,2-diphenylacetohydrazide; 2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106723	.	.	.	.	346.4	C21H18N2O3	81.9	464	3.3	26	3	4	5	"InChI=1S/C21H18N2O3/c24-19-14-8-7-9-16(19)15-22-23-20(25)21(26,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15,24,26H,(H,23,25)/b22-15+"	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)N/N=C/C3=CC=CC=C3O)O	GOCSMIDSQQKMKO-PXLXIMEGSA-N
DG69171	N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide	135509648	NSC110630; ZINC13957395; NSC-110630	.	.	Investigative Drug(s)	Investigative	Small molecular drug	110630	.	.	.	.	270.33	C16H18N2O2	61.7	343	3.4	20	2	3	5	"InChI=1S/C16H18N2O2/c1-2-3-8-16(20)18-17-11-14-13-7-5-4-6-12(13)9-10-15(14)19/h4-7,9-11,19H,2-3,8H2,1H3,(H,18,20)/b17-11+"	CCCCC(=O)N/N=C/C1=C(C=CC2=CC=CC=C21)O	XJEORCBNVGOXTQ-GZTJUZNOSA-N
DG69172	"N'-[(E)-[(2S)-2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide"	135510060	CHEMBL1968043; NSC622611; NSC-622611	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622611	.	.	.	.	412.5	C25H24N4O2	82.6	652	4.3	31	3	4	4	"InChI=1S/C25H24N4O2/c1-17(18-10-4-2-5-11-18)26-24(30)25(31)29-28-23-16-22(19-12-6-3-7-13-19)27-21-15-9-8-14-20(21)23/h2-15,17,22,27H,16H2,1H3,(H,26,30)(H,29,31)/b28-23+/t17 ,22-/m0/s1"	CC(C1=CC=CC=C1)NC(=O)C(=O)N/N=C/2\\C[C@H](NC3=CC=CC=C23)C4=CC=CC=C4	KSMXVBWVKOAUPU-NSXHUUFXSA-N
DG69173	"1-hydroxy-2-[(Z)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid"	135510075	CHEMBL1996169; NSC625737; NSC-625737	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625737	.	.	.	.	456.4	C15H16N6O9S	258	635	.	31	5	11	4	"InChI=1S/C8H8N6O6.C7H8O3S/c9-8(12-16)11-10-3-4-1-5(13(17)18)2-6(7(4)15)14(19)20;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,15-16H,(H3,9,11,12);2-5H,1H3,(H,8,9,10)/b10-3-;"	CC1=CC=C(C=C1)S(=O)(=O)O.C1=C(C=C(C(=C1/C=N\\N=C(/N)\\NO)O)[N+](=O)[O-])[N+](=O)[O-]	OYXSICDMKRJZOM-HVHUWTQGSA-N
DG69174	1-hydroxy-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid	135510083	CHEMBL1979459; NSC625741; NSC-625741	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625741	.	.	.	.	366.4	C15H18N4O5S	166	436	.	25	5	7	4	"InChI=1S/C8H10N4O2.C7H8O3S/c9-8(12-14)11-10-5-6-3-1-2-4-7(6)13;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,13-14H,(H3,9,11,12);2-5H,1H3,(H,8,9,10)/b10-5-;"	CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C(=C1)/C=N\\N=C(/N)\\NO)O	FACDHGYCPLGGNO-WIMVAJRLSA-N
DG69175	1-hydroxy-2-[(E)-(3-hydroxypyridin-2-yl)methylideneamino]guanidine;4-methylbenzenesulfonic acid	135510085	NSC625742; NSC-625742	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625742	.	.	.	.	367.38	C14H17N5O5S	179	437	.	25	5	8	4	"InChI=1S/C7H9N5O2.C7H8O3S/c8-7(12-14)11-10-4-5-6(13)2-1-3-9-5;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,13-14H,(H3,8,11,12);2-5H,1H3,(H,8,9,10)/b10-4+;"	CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(N=C1)/C=N/N=C(\\N)/NO)O	FUYSRWHZBXYONA-FCVRUTMISA-N
DG69176	"3-(2-N,2,4-benzotriazine 1,4-dioxide. Trifluoroacetate."	135510092	"NSC628906; CHEMBL1995125; NSC-628906; 3-(2-N,2,4-benzotriazine 1,4-dioxide. Trifluoroacetate."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628906	.	.	.	.	391.35	C15H20F3N5O4	116	373	.	27	2	10	6	"InChI=1S/C13H19N5O2.C2HF3O2/c1-3-16(4-2)10-9-14-13-15-18(20)12-8-6-5-7-11(12)17(13)19;3-2(4,5)1(6)7/h5-8H,3-4,9-10H2,1-2H3,(H,14,15);(H,6,7)"	CCN(CC)CCNC1=[N+](C2=CC=CC=C2[N+](=N1)[O-])[O-].C(=O)(C(F)(F)F)O	VXFSBORNSIGNLO-UHFFFAOYSA-N
DG69177	"3-(2-N,2,4-benzotriazine 1,4-dioxide. Trifluoroacetate"	135510093	"NSC628911; CHEMBL2001500; NSC-628911; 3-(2-N,2,4- benzotriazine 1,4-dioxide. Trifluoroacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628911	.	.	.	.	436.34	C15H19F3N6O6	162	475	.	30	2	12	6	"InChI=1S/C13H18N6O4.C2HF3O2/c1-3-16(4-2)8-7-14-13-15-18(21)12-9-10(19(22)23)5-6-11(12)17(13)20;3-2(4,5)1(6)7/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15);(H,6,7)"	CCN(CC)CCNC1=[N+](C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=N1)[O-])[O-].C(=O)(C(F)(F)F)O	CPLOGJDIXDDAJV-UHFFFAOYSA-N
DG69178	"7-(2-Acetoxy-3-1'-piperidinylpropoxy)-1,4-benzotriazin-3-amine 1,4-dioxide . Trifluoroacetate"	135510094	"NSC628919; CHEMBL2006693; NSC-628919; 7-(2-Acetoxy-3-1'-piperidinylpropoxy)-1,4-benzotriazin- 3-amine 1,4-dioxide . Trifluoroacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628919	.	.	.	.	491.4	C19H24F3N5O7	166	576	.	34	2	13	7	"InChI=1S/C17H23N5O5.C2HF3O2/c1-12(23)27-14(10-20-7-3-2-4-8-20)11-26-13-5-6-15-16(9-13)22(25)19-17(18)21(15)24;3-2(4,5)1(6)7/h5-6,9,14H,2-4,7-8,10-11H2,1H3,(H2,18,19);(H,6,7)"	CC(=O)OC(CN1CCCCC1)COC2=CC3=C(C=C2)[N+](=C(N=[N+]3[O-])N)[O-].C(=O)(C(F)(F)F)O	MJTZURXNMATMJH-UHFFFAOYSA-N
DG69179	3-(2-Chloro-6-methylphenyl)-2-(2-hydroxy-2-(4-pyridinyl)vinyl)-6-methyl-4(3H)-pyrimidinone	135510108	NSC632907; CHEMBL1972114; ZINC102943852; NSC-632907; 3-(2-chloro-6-methyl-phenyl)-2-[(Z)-2-hydroxy-2-(4-pyridyl)vinyl]-6-methyl-pyrimidin-4-one; 3-(2-Chloro-6-methylphenyl)-2-(2-hydroxy-2-(4-pyridinyl)vinyl)-6-methyl-4(3H)-pyrimidinone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632907	.	.	.	.	353.8	C19H16ClN3O2	65.8	608	2.8	25	1	4	3	"InChI=1S/C19H16ClN3O2/c1-12-4-3-5-15(20)19(12)23-17(22-13(2)10-18(23)25)11-16(24)14-6-8-21-9-7-14/h3-11,24H,1-2H3/b16-11-"	CC1=C(C(=CC=C1)Cl)N2C(=O)C=C(N=C2/C=C(/C3=CC=NC=C3)\\O)C	RJDBSSBLPZRWTK-WJDWOHSUSA-N
DG69180	"4-(4-chlorophenyl)-3-(3-hydroxynaphthalen-2-yl)-1H-1,2,4-triazole-5-thione"	135520287	NSC729052; NSC-729052	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729052	.	.	.	.	353.8	C18H12ClN3OS	80	520	4.7	24	2	3	2	"InChI=1S/C18H12ClN3OS/c19-13-5-7-14(8-6-13)22-17(20-21-18(22)24)15-9-11-3-1-2-4-12(11)10-16(15)23/h1-10,23H,(H,21,24)"	C1=CC=C2C=C(C(=CC2=C1)C3=NNC(=S)N3C4=CC=C(C=C4)Cl)O	VRLTUNBVMSRHBO-UHFFFAOYSA-N
DG69181	"5-amino-4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-pyrrol-3-one"	135521118	"ZINC8642993; NSC743274; AKOS034445975; MCULE-2227902342; NSC-743274; SR-01000030409; SR-01000030409-1; Z55545006; 438026-14-3; 5-amino-4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-pyrrol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	743274	.	.	.	.	427.3	C19H15BrN4OS	101	564	2.8	26	2	5	4	"InChI=1S/C19H15BrN4OS/c20-14-5-3-13(4-6-14)15-11-26-19(23-15)17-16(25)10-24(18(17)21)9-12-2-1-7-22-8-12/h1-8,11,21,25H,9-10H2"	C1C(=C(C(=N)N1CC2=CN=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)Br)O	ZFHSHYZRGTYVBX-UHFFFAOYSA-N
DG69182	"5-(3H-indol-3-ylidene)-N-[4-(morpholine-4-sulfonyl)phenyl]-5,6-dihydro-4H-1,3,4-thiadiazin-2-amine"	135528004	"NSC744178; AKOS033718282; MCULE-2529583076; NSC-744178; Z198955462; 5-(3H-indol-3-ylidene)-N-[4-(morpholine-4-sulfonyl)phenyl]-5,6-dihydro-4H-1,3,4-thiadiazin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744178	.	.	.	.	455.6	C21H21N5O3S2	133	798	2.8	31	2	7	4	"InChI=1S/C21H21N5O3S2/c27-31(28,26-9-11-29-12-10-26)16-7-5-15(6-8-16)23-21-25-24-20(14-30-21)18-13-22-19-4-2-1-3-17(18)19/h1-8,13,22H,9-12,14H2,(H,23,25)"	C1COCCN1S(=O)(=O)C2=CC=C(C=C2)N=C3NN=C(CS3)C4=CNC5=CC=CC=C54	UXMAOGVQRDBCLR-UHFFFAOYSA-N
DG69183	"8-[-(2-Hydroxynaphthalen-1-yl)diazenyl]naphthalene-1, disodium salt"	135534342	"NSC75957; NSC-75957; 8-[-(2-Hydroxynaphthalen-1-yl)diazenyl]naphthalene-1, disodium salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	75957	.	.	.	.	481.5	C20H14N2NaO7S2+	170	880	.	32	3	9	4	"InChI=1S/C20H14N2O7S2.Na/c23-17-9-8-12-4-1-2-6-15(12)20(17)22-21-16-11-14(30(24,25)26)10-13-5-3-7-18(19(13)16)31(27,28)29;/h1-11,23H,(H,24,25,26)(H,27,28,29);/q;+1"	C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C(=CC(=C3)S(=O)(=O)O)C=CC=C4S(=O)(=O)O)O.[Na+]	NYVOIIHUJCIQND-UHFFFAOYSA-N
DG69184	"(5Z)-5-[(2E)-2-(5-Ethyl-1-methylpyridin-2(1H)-ylidene)ethylidene]-8-oxo-5,8-dihydroquinolin-1-ium iodide"	135534376	"2246-80-2; DTXSID20713488; NSC79543; NSC-79543; Pyridinium, 5-ethyl-2-[2-(8-hydroxy-5-quinolyl)vinyl]-1-methyl- iodide; (5Z)-5-[(2E)-2-(5-Ethyl-1-methylpyridin-2(1H)-ylidene)ethylidene]-8-oxo-5,8-dihydroquinolin-1-ium iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79543	.	.	.	.	418.3	C19H19IN2O	37	384	.	23	1	3	3	"InChI=1S/C19H18N2O.HI/c1-3-14-6-9-16(21(2)13-14)10-7-15-8-11-18(22)19-17(15)5-4-12-20-19;/h4-13H,3H2,1-2H3;1H"	CCC1=C[N+](=C(C=C1)/C=C/C2=C3C=CC=NC3=C(C=C2)O)C.[I-]	SCVZLKUUPUQUSM-UHFFFAOYSA-N
DG69185	5-methyl-7-[(Z)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]quinolin-8-ol;iodide	135534469	13953-24-7; NSC86368; NSC-86368	.	.	Investigative Drug(s)	Investigative	Small molecular drug	86368	.	.	.	.	454.3	C22H19IN2O	37	479	.	26	1	3	2	"InChI=1S/C22H18N2O.HI/c1-15-14-17(22(25)21-19(15)7-5-13-23-21)10-12-18-11-9-16-6-3-4-8-20(16)24(18)2;/h3-14H,1-2H3;1H"	CC1=CC(=C(C2=C1C=CC=N2)O)/C=C\\C3=[N+](C4=CC=CC=C4C=C3)C.[I-]	DMEJKDJMEXYFBM-UHFFFAOYSA-N
DG69186	3-Methoxysalicylaldehyde isonicotinoyl hydrazone	135538347	MLS002607857; SCHEMBL5820229; ZINC61589; NSC33762; NSC-33762; 3-Methoxysalicylaldehyde isonicotinoyl hydrazone; Pyridine-4-carboxylic acid N'-[(E)-2-hydroxy-3-methoxybenzylidene] hydrazide; 7209-85-0	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33762	.	.	.	.	271.27	C14H13N3O3	83.8	343	1.4	20	2	5	4	"InChI=1S/C14H13N3O3/c1-20-12-4-2-3-11(13(12)18)9-16-17-14(19)10-5-7-15-8-6-10/h2-9,18H,1H3,(H,17,19)/b16-9-"	COC1=CC=CC(=C1O)/C=N\\NC(=O)C2=CC=NC=C2	VWLOTRPSIVIFDW-SXGWCWSVSA-N
DG69187	5-Chlorosalicylaldehyde (5-nitro-2-pyridyl)hydrazone	135538372	"28058-29-9; BRN 0426896; 5-Chlorosalicylaldehyde (5-nitro-2-pyridyl)hydrazone; Salicylaldehyde, 5-chloro-, (5-nitro-2-pyridyl)hydrazone; NSC42369; ZINC4739602; NSC 42369; NSC-42369; AKOS024372434"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42369	.	.	.	.	292.68	C12H9ClN4O3	103	363	2.9	20	2	6	3	"InChI=1S/C12H9ClN4O3/c13-9-1-3-11(18)8(5-9)6-15-16-12-4-2-10(7-14-12)17(19)20/h1-7,18H,(H,14,16)/b15-6-"	C1=CC(=C(C=C1Cl)/C=N\\NC2=NC=C(C=C2)[N+](=O)[O-])O	CDWXJSZGBVSYHO-UUASQNMZSA-N
DG69188	"Salicylaldehyde, (5-nitro-2-pyridyl)hydrazone"	135538374	"24458-25-1; MLS002608402; NSC 42428; BRN 0420582; Salicylaldehyde, (5-nitro-2-pyridyl)hydrazone; NSC42428; NSC-42428; ZINC17301933"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42428	.	.	.	.	258.23	C12H10N4O3	103	331	2.3	19	2	6	3	"InChI=1S/C12H10N4O3/c17-11-4-2-1-3-9(11)7-14-15-12-6-5-10(8-13-12)16(18)19/h1-8,17H,(H,13,15)/b14-7+"	C1=CC=C(C(=C1)/C=N/NC2=NC=C(C=C2)[N+](=O)[O-])O	WBHPJBOSCFRQFT-VGOFMYFVSA-N
DG69190	"Benzothiazolium,3-butadienyl]-, iodide"	135539594	"NSC179220; Benzothiazolium,3-butadienyl]-, iodide; NSC-179220; Benzothiazolium 3-methyl-2-[4-(1-piperidinyl)-1, iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	179220	.	.	.	.	412.3	C17H21IN2S	35.4	360	.	21	0	3	3	"InChI=1S/C17H21N2S.HI/c1-18-15-9-3-4-10-16(15)20-17(18)11-5-8-14-19-12-6-2-7-13-19;/h3-5,8-11,14H,2,6-7,12-13H2,1H3;1H/q+1;/p-1"	C[N+]1=C(SC2=CC=CC=C21)/C=C\\C=C\\N3CCCCC3.[I-]	KPSGGQGNEWRSFK-UHFFFAOYSA-M
DG69191	Streptovaricin A diacetate	135539673	Streptovaricin A diacetate; NSC210761; NSC-210761	.	.	Investigative Drug(s)	Investigative	Small molecular drug	210761	.	.	.	.	887.9	C44H57NO18	302	1880	.	63	8	18	6	"InChI=1S/C42H53NO16.C2H4O2/c1-17-13-12-14-41(9,53)37(49)21(5)31(47)28(40(52)55-11)36(59-24(8)45)22(6)38(50)42(10,54)15-18(2)33-27-25-26(30(46)20(4)34(27)57-16-56-33)32(48)29(43-39(17)51)19(3)35(25)58-23(7)44;1-2(3)4/h12-15,21-22,28,31,36-38,47-50,53-54H,16H2,1-11H3,(H,43,51);1H3,(H,3,4)/b14-12+,17-13 ,18-15 ;"	CC1C(C(C(C(C(C(C=C(C2=C3C4=C(C(=C(C(=C4C(=O)C(=C3OCO2)C)O)NC(=O)C(=C/C=C/C(C1O)(C)O)C)C)OC(=O)C)C)(C)O)O)C)OC(=O)C)C(=O)OC)O.CC(=O)O	FIZACHYXTXGTRG-KBSUHSCDSA-N
DG69192	Prodigiosine methyl ketone	135540840	Prodigiosine methyl ketone; NSC742413; NSC-742413	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742413	.	.	.	.	345.8	C18H20ClN3O2	70.2	579	.	24	3	3	4	"InChI=1S/C18H19N3O2.ClH/c1-10-14(20-11(2)18(10)12(3)22)8-16-17(23-4)9-15(21-16)13-6-5-7-19-13;/h5-9,19-20H,1-4H3;1H/b16-8-;"	CC1=C(NC(=C1C(=O)C)C)/C=C\\2/C(=CC(=N2)C3=CC=CN3)OC.Cl	AGGXTYGBDMCRDL-SQIOZQJDSA-N
DG69193	"C2 carbonyl plus ester, prodigiosine"	135540843	"CHEMBL1203929; C2 carbonyl plus ester, prodigiosine; NSC742415; NSC-742415"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742415	.	.	.	.	417.9	C21H24ClN3O4	96.5	712	.	29	3	5	8	"InChI=1S/C21H23N3O4.ClH/c1-12-15(23-13(2)21(12)18(25)7-8-20(26)28-4)10-17-19(27-3)11-16(24-17)14-6-5-9-22-14;/h5-6,9-11,22-23H,7-8H2,1-4H3;1H/b17-10-;"	CC1=C(NC(=C1C(=O)CCC(=O)OC)C)/C=C\\2/C(=CC(=N2)C3=CC=CN3)OC.Cl	ZWFPCOUWWCVGRD-HVHKRRFMSA-N
DG69194	Ethylester prodigiosine	135540850	prodigiosin 4; ethylester prodigiosine; CHEMBL535618; NSC742420; NSC-742420	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742420	.	.	.	.	375.8	C19H22ClN3O3	79.5	611	.	26	3	4	6	"InChI=1S/C19H21N3O3.ClH/c1-5-25-19(23)18-11(2)14(21-12(18)3)9-16-17(24-4)10-15(22-16)13-7-6-8-20-13;/h6-10,20-21H,5H2,1-4H3;1H/b16-9-;"	CCOC(=O)C1=C(NC(=C1C)/C=C\\2/C(=CC(=N2)C3=CC=CN3)OC)C.Cl	DZGCLXNHZPGYSR-LFMIJCLESA-N
DG69195	"C4 ester, HCl salt"	135540853	"C4 ester, HCl salt; CHEMBL1203930; NSC742414; NSC-742414"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742414	.	.	.	.	445.9	C23H28ClN3O4	96.5	743	.	31	3	5	10	"InChI=1S/C23H27N3O4.ClH/c1-14-17(12-19-21(29-3)13-18(26-19)16-8-7-11-24-16)25-15(2)23(14)20(27)9-5-6-10-22(28)30-4;/h7-8,11-13,24-25H,5-6,9-10H2,1-4H3;1H/b19-12-;"	CC1=C(NC(=C1C(=O)CCCCC(=O)OC)C)/C=C\\2/C(=CC(=N2)C3=CC=CN3)OC.Cl	IJEGNTASCRUHGU-JHMJKTBASA-N
DG69196	"C4, ethyl prodigiosine"	135540855	"C4, ethyl prodigiosine; NSC742416; NSC-742416"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742416	.	.	.	.	458	C25H32ClN3O3	87.3	783	.	32	3	4	10	"InChI=1S/C25H31N3O3.ClH/c1-6-18-15(2)20(28-25(18)19-10-9-13-26-19)14-21-16(3)24(17(4)27-21)22(29)11-7-8-12-23(30)31-5;/h9-10,13-14,26-27H,6-8,11-12H2,1-5H3;1H/b20-14-;"	CCC1=C(/C(=C/C2=C(C(=C(N2)C)C(=O)CCCCC(=O)OC)C)/N=C1C3=CC=CN3)C.Cl	CUINQYKBANIQIE-VSOKSMTPSA-N
DG69197	"C8, carbonyl prodigiosine"	135540857	"C8, carbonyl prodigiosine; CHEMBL1203933; NSC742417; NSC-742417"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742417	.	.	.	.	502	C27H36ClN3O4	96.5	804	.	35	3	5	14	"InChI=1S/C27H35N3O4.ClH/c1-18-21(16-23-25(33-3)17-22(30-23)20-12-11-15-28-20)29-19(2)27(18)24(31)13-9-7-5-6-8-10-14-26(32)34-4;/h11-12,15-17,28-29H,5-10,13-14H2,1-4H3;1H/b23-16-;"	CC1=C(NC(=C1C(=O)CCCCCCCCC(=O)OC)C)/C=C\\2/C(=CC(=N2)C3=CC=CN3)OC.Cl	IFDXCSTXUOBXBE-YGCQTIHHSA-N
DG69198	"[6-(4-bromophenyl)imidazo[2,1-b]thiazol-3-Yl]acetic acid 2-hydroxybenzylidenehydrazide"	135540939	"CHEMBL230139; NSC732335; NSC-732335; [6-(4-bromophenyl)imidazo[2,1-b]thiazol-3-Yl]acetic acid 2-hydroxybenzylidenehydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732335	.	.	.	.	455.3	C20H15BrN4O2S	107	572	4.7	28	2	5	5	"InChI=1S/C20H15BrN4O2S/c21-15-7-5-13(6-8-15)17-11-25-16(12-28-20(25)23-17)9-19(27)24-22-10-14-3-1-2-4-18(14)26/h1-8,10-12,26H,9H2,(H,24,27)/b22-10+"	C1=CC=C(C(=C1)/C=N/NC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br)O	PPYOMIZROUIMHR-LSHDLFTRSA-N
DG69199	"[6-(4-Bromofenil)imidazo[2,1-b]tiyazol-3-il]asetik asid 4-hidroksibenzilidenhidrazid"	135540940	"CHEMBL397725; NSC732329; NSC-732329; [6-(4-bromofenil)imidazo[2,1-b]tiyazol-3-il]asetik asid 4-hidroksibenzilidenhidrazid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732329	.	.	.	.	455.3	C20H15BrN4O2S	107	564	4.7	28	2	5	5	"InChI=1S/C20H15BrN4O2S/c21-15-5-3-14(4-6-15)18-11-25-16(12-28-20(25)23-18)9-19(27)24-22-10-13-1-7-17(26)8-2-13/h1-8,10-12,26H,9H2,(H,24,27)/b22-10+"	C1=CC(=CC=C1/C=N/NC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br)O	NNOBEUCTYGOAMJ-LSHDLFTRSA-N
DG69200	(2Z)-3-(1H-benzimidazol-2-yl)-6-hexyl-2-[(2-methylphenyl)imino]-2H-chromen-7-ol	135543311	GNF-Pf-5687; CHEMBL601566; MMV666597; NSC766722; ZINC27519154; MCULE-4323219297; NSC-766722; SR-01000414456; SR-01000414456-1; (2Z)-3-(1H-benzimidazol-2-yl)-6-hexyl-2-[(2-methylphenyl)imino]-2H-chromen-7-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766722	.	.	.	.	451.6	C29H29N3O2	70.5	737	8	34	2	4	7	"InChI=1S/C29H29N3O2/c1-3-4-5-6-12-20-16-21-17-22(28-30-24-14-9-10-15-25(24)31-28)29(34-27(21)18-26(20)33)32-23-13-8-7-11-19(23)2/h7-11,13-18,33H,3-6,12H2,1-2H3,(H,30,31)"	CCCCCCC1=C(C=C2C(=C1)C=C(C(=NC3=CC=CC=C3C)O2)C4=NC5=CC=CC=C5N4)O	DGBJSVJYBSICRH-UHFFFAOYSA-N
DG69201	"N-(3,4-dimethoxyphenyl)-5-(1H-indol-3-yl)-6H-1,3,4-thiadiazin-2-amine"	135543484	"ZINC6786159; NSC746005; AKOS034402743; MCULE-8425352939; NSC-746005; Z48958610; N-(3,4-dimethoxyphenyl)-5-(1H-indol-3-yl)-6H-1,3,4-thiadiazin-2-amine; 854035-32-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746005	.	.	.	.	366.4	C19H18N4O2S	96.3	556	3.9	26	2	5	4	"InChI=1S/C19H18N4O2S/c1-24-17-8-7-12(9-18(17)25-2)21-19-23-22-16(11-26-19)14-10-20-15-6-4-3-5-13(14)15/h3-10,20H,11H2,1-2H3,(H,21,23)"	COC1=C(C=C(C=C1)N=C2NN=C(CS2)C3=CNC4=CC=CC=C43)OC	JXIGFRJLSMOSLQ-UHFFFAOYSA-N
DG69202	"(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-1-[4-(difluoromethylsulfanyl)phenyl]-5-iminopyrrolidin-2-one"	135543874	NSC744116; AKOS034446015; MCULE-5376232715; NSC-744116; AB00712831-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744116	.	.	.	.	389.4	C18H13F2N3OS2	107	620	4.4	26	2	7	3	"InChI=1S/C18H13F2N3OS2/c19-18(20)25-11-7-5-10(6-8-11)23-15(24)9-12(16(23)21)17-22-13-3-1-2-4-14(13)26-17/h1-8,18,21-22H,9H2/b17-12+,21-16 "	C1/C(=C\\2/NC3=CC=CC=C3S2)/C(=N)N(C1=O)C4=CC=C(C=C4)SC(F)F	PXNROUIXJDNEAV-SIESLLRVSA-N
DG69203	(4Z)-N-[(2-chlorobenzylidene)amino]-4-(dimethylaminohydrazono)-5-methyl-pyrazole-3-carboxamide	135545659	MLS002701992; SMR001565569; CHEMBL1989898; BDBM96287; cid_9562461; ZINC4962566; NSC131257; ZINC102868788; NSC-131257; (4Z)-N-[(2-chlorobenzylidene)amino]-4-(dimethylaminohydrazono)-5-methyl-pyrazole-3-carboxamide; (4Z)-N-[(2-chlorophenyl)methylideneamino]-4-(dimethylaminohydrazinylidene)-5-methyl-3-pyrazolecarboxamide; (4Z)-N-[(2-chlorophenyl)methylideneamino]-4-(dimethylaminohydrazinylidene)-5-methyl-pyrazole-3-carboxamide; (4Z)-N-[(2-chlorophenyl)methylideneamino]-4-(dimethylaminohydrazinylidene)-5-methylpyrazole-3-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131257	.	.	.	.	333.77	C14H16ClN7O	98.1	456	3.2	23	2	6	5	"InChI=1S/C14H16ClN7O/c1-9-12(19-21-22(2)3)13(18-17-9)14(23)20-16-8-10-6-4-5-7-11(10)15/h4-8H,1-3H3,(H,17,18)(H,20,23)/b16-8+,21-19 "	CC1=C(C(=NN1)C(=O)N/N=C/C2=CC=CC=C2Cl)N=NN(C)C	XCBMEIMBCIKJPR-HMTBYHENSA-N
DG69204	4-(dimethylaminodiazenyl)-5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide	135545660	CHEMBL1964822; NSC131258; ZINC104119208; ZINC104119215; NSC-131258	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131258	.	.	.	.	305.36	C12H15N7OS	126	414	2.5	21	2	7	5	"InChI=1S/C12H15N7OS/c1-8-10(16-18-19(2)3)11(15-14-8)12(20)17-13-7-9-5-4-6-21-9/h4-7H,1-3H3,(H,14,15)(H,17,20)/b13-7+,18-16 "	CC1=C(C(=NN1)C(=O)N/N=C/C2=CC=CS2)N=NN(C)C	CAFKHSJTNLEMNV-IPATYEEQSA-N
DG69205	"Pyrazole-4-carboxamide, 3-[3-(2-hydroxyethyl)-3-methyl-1-triazeno]-"	135545670	"NSC133729; 34039-65-1; CHEMBL1985145; DTXSID60422380; Pyrazole-4-carboxamide, 3-[3-(2-hydroxyethyl)-3-methyl-1-triazeno]-; 1H-Pyrazole-4-carboxamide, 3-[3-(2-hydroxyethyl)-3-methyl-1-triazenyl]-; NSC-133729"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	133729	.	.	.	.	212.21	C7H12N6O2	120	246	-0.6	15	3	6	5	"InChI=1S/C7H12N6O2/c1-13(2-3-14)12-11-7-5(6(8)15)4-9-10-7/h4,14H,2-3H2,1H3,(H2,8,15)(H,9,10)/b12-11+"	CN(CCO)/N=N/C1=C(C=NN1)C(=O)N	KNUVBPMGQSKRFH-VAWYXSNFSA-N
DG69206	N-[(Z)-1H-indol-3-ylmethylideneamino]-2-nitroaniline	135545695	ZINC4119153; NSC135854; NSC-135854	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135854	.	.	.	.	280.28	C15H12N4O2	86	396	4	21	2	4	3	"InChI=1S/C15H12N4O2/c20-19(21)15-8-4-3-7-14(15)18-17-10-11-9-16-13-6-2-1-5-12(11)13/h1-10,16,18H/b17-10-"	C1=CC=C2C(=C1)C(=CN2)/C=N\\NC3=CC=CC=C3[N+](=O)[O-]	JZUFKEQJFQIJPR-YVLHZVERSA-N
DG69207	N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide	135545714	MLS002920563; NSC142493; ZINC73106034; NSC-142493	.	.	Investigative Drug(s)	Investigative	Small molecular drug	142493	.	.	.	.	363.21	C16H15BrN2O3	81.9	384	3	22	3	4	5	"InChI=1S/C16H15BrN2O3/c17-13-4-7-15(21)12(9-13)10-18-19-16(22)8-3-11-1-5-14(20)6-2-11/h1-2,4-7,9-10,20-21H,3,8H2,(H,19,22)/b18-10+"	C1=CC(=CC=C1CCC(=O)N/N=C/C2=C(C=CC(=C2)Br)O)O	NFVDIJBWLQZOKN-VCHYOVAHSA-N
DG69208	"4,4'-Dihydroxybenzophenone 2,4-dinitro-5-chlorophenylhydrazone"	135546138	"CHEMBL325016; NSC746311; NSC-746311; 4,4'-Dihydroxybenzophenone 2,4-dinitro-5-chlorophenylhydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746311	.	.	.	.	428.8	C19H13ClN4O6	157	614	5.5	30	3	8	4	"InChI=1S/C19H13ClN4O6/c20-15-9-16(18(24(29)30)10-17(15)23(27)28)21-22-19(11-1-5-13(25)6-2-11)12-3-7-14(26)8-4-12/h1-10,21,25-26H"	C1=CC(=CC=C1C(=NNC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Cl)C3=CC=C(C=C3)O)O	PIVWNMNUOAHWRO-UHFFFAOYSA-N
DG69209	"(NE)-N-[5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine"	135547844	SB-682330A; SCHEMBL5401572; NSC756464; NSC-756464; HY-141868	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756464	.	.	.	.	453.5	C28H27N3O3	71.1	672	4.9	34	1	6	7	"InChI=1S/C28H27N3O3/c1-31(2)15-16-33-23-7-3-19(4-8-23)27-18-25(28(34-27)20-11-13-29-14-12-20)22-5-9-24-21(17-22)6-10-26(24)30-32/h3-5,7-9,11-14,17-18,32H,6,10,15-16H2,1-2H3/b30-26+"	CN(C)CCOC1=CC=C(C=C1)C2=CC(=C(O2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	MPEXJHMZOHYTRP-URGPHPNLSA-N
DG69210	"3-(2,4-dichloro-5-fluorophenyl)-N-(4-methoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-imine"	135550831	CHEMBL458394; NSC742088; NSC-742088	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742088	.	.	.	.	424.3	C17H12Cl2FN5OS	89.6	553	4.5	27	1	6	3	"InChI=1S/C17H12Cl2FN5OS/c1-26-10-4-2-9(3-5-10)21-15-8-27-17-23-22-16(25(17)24-15)11-6-14(20)13(19)7-12(11)18/h2-7H,8H2,1H3,(H,21,24)"	COC1=CC=C(C=C1)N=C2CSC3=NN=C(N3N2)C4=CC(=C(C=C4Cl)Cl)F	CPXVCTPPHDSYBI-UHFFFAOYSA-N
DG69211	2-(5-Bromo-2-pyridylazo)-5-dimethylaminophenol	135552954	"50783-82-9; 2-(5-Bromo-2-pyridylazo)-5-dimethylaminophenol; 2-((5-Bromopyridin-2-yl)diazenyl)-5-(dimethylamino)phenol; 2-[(5-bromopyridin-2-yl)diazenyl]-5-(dimethylamino)phenol; 2-(4-Dimethylamino-2-hydroxyphenylazo)-5-bromopyridine; SCHEMBL4343598; DTXSID10560089; MFCD00059779; NSC794457; ZINC43505177; AKOS025394712; AKOS030228094; ZINC100027661; ZINC256756784; NSC-794457; BS-44017; T70979; (E)-2-((5-bromopyridin-2-yl)diazenyl)-5-(dimethylamino)phenol; 6-[2-(5-Bromopyridin-2-yl)hydrazinylidene]-3-(dimethylamino)cyclohexa-2,4-dien-1-one; 2-(5-BROMO-2-PYRIDYLAZO)-5-DIMETHYLAMINOPHENOL [FOR COLORIMETRIC DETERMINATION OF CD]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794457	.	.	.	.	321.17	C13H13BrN4O	61.1	313	3.5	19	1	5	3	"InChI=1S/C13H13BrN4O/c1-18(2)10-4-5-11(12(19)7-10)16-17-13-6-3-9(14)8-15-13/h3-8,19H,1-2H3"	CN(C)C1=CC(=C(C=C1)N=NC2=NC=C(C=C2)Br)O	LNIGBQNXJNNICD-UHFFFAOYSA-N
DG69212	"(NE)-N-[5-(2-piperidin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine"	135555486	"SCHEMBL5408921; 4-[(5z)-5-(1-Nitroso-2,3-Dihydro-5h-Inden-5-Ylidene)-2-(Piperidin-4-Yl)-3,5-Dihydro-4h-Imidazol-4-Ylidene]-1,4-Dihydropyridine; NSC756458; NSC-756458"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756458	.	.	.	.	373.5	C22H23N5O	86.2	557	2.5	28	3	5	3	"InChI=1S/C22H23N5O/c28-27-19-4-2-16-13-17(1-3-18(16)19)21-20(14-5-9-23-10-6-14)25-22(26-21)15-7-11-24-12-8-15/h1,3,5-6,9-10,13,15,24,28H,2,4,7-8,11-12H2,(H,25,26)/b27-19+"	C1CNCCC1C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	XUFXPPUENFNHAF-ZXVVBBHZSA-N
DG69213	"2-methoxy-4-{(E)-[2-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl}phenol"	135558907	"FgGpmk1-IN-1; CHEMBL63803; HMS3303D08; HMS3305G15; NSC756248; STL325388; AKOS022114358; NSC-756248; HY-132878; AB01092274-01; 4-hydroxy-3-methoxybenzaldehyde 1-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)hydrazone; 2-methoxy-4-{(E)-[2-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl}phenol; 319490-29-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756248	.	.	.	.	360.4	C19H16N6O2	97.4	501	3.4	27	2	7	5	"InChI=1S/C19H16N6O2/c1-27-17-9-13(7-8-16(17)26)10-22-24-18-15-11-23-25(19(15)21-12-20-18)14-5-3-2-4-6-14/h2-12,26H,1H3,(H,20,21,24)/b22-10+"	COC1=C(C=CC(=C1)/C=N/NC2=C3C=NN(C3=NC=N2)C4=CC=CC=C4)O	AKHRMFAGIBQWDR-LSHDLFTRSA-N
DG69215	Seclidemstat	135565033	"Seclidemstat; 1423715-37-0; SP-2577; SP2577; UNII-TYH386V3WJ; TYH386V3WJ; N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide; CHEMBL4297641; SCHEMBL14697017; SCHEMBL14697019; EX-A3574; YGC71537; NSC833973; s6722; AKOS037648727; NSC-833973; BS-15371; HY-103713; CS-0039281; Benzoic acid, 3-((4-methyl-1-piperazinyl)sulfonyl)-, (2E)-2-(1-(5-chloro-2-hydroxyphenyl)ethylidene)hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	833973	.	.	.	.	450.9	C20H23ClN4O4S	111	734	2.3	30	2	7	5	"InChI=1S/C20H23ClN4O4S/c1-14(18-13-16(21)6-7-19(18)26)22-23-20(27)15-4-3-5-17(12-15)30(28,29)25-10-8-24(2)9-11-25/h3-7,12-13,26H,8-11H2,1-2H3,(H,23,27)/b22-14+"	C/C(=N\\NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C)/C3=C(C=CC(=C3)Cl)O	MVSQDUZRRVBYLA-HYARGMPZSA-N
DG69217	PF-477736	135565545	"PF-477736; 952021-60-2; PF 477736; PF477736; PF-00477736; UNII-XO23PGZ0SM; PF 00477736; PF0477736; XO23PGZ0SM; (2R)-2-Amino-2-cyclohexyl-N-[2-(1-methyl-1H-pyrazol-4-yl)-6-oxo-5,6-dihydro-1H-[1,2]diazepino[4,5,6-cd]indol-8-yl]-acetamide; CHEMBL3990456; 952021-60-2 (free base); (R)-2-amino-2-cyclohexyl-N-(2-(1-methyl-1H-pyrazol-4-yl)-6-oxo-5,6-dihydro-1H-[1,2]diazepino[4,5,6-cd]indol-8-yl)acetamide; (2~{r})-2-Azanyl-2-Cyclohexyl-~{n}-[2-(1-Methylpyrazol-4-Yl)-9-Oxidanylidene-3,10,11-Triazatricyclo[6.4.1.0^{4,13}]trideca-1,4,6,8(13),11-Pentaen-6-Yl]ethanamide; (2R)-2-amino-2-cyclohexyl-N-[2-(1-methylpyrazol-4-yl)-9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]acetamide; 1071848-28-6; MLS006011242; SCHEMBL13599879; CHEBI:91385; AOB2260; SYN1174; BCP02213; CNB02160; EX-A2131; BDBM50514649; NSC763444; NSC800848; s2904; AKOS024458069; AKOS032947243; ZINC100001820; CCG-264713; DB12611; NSC-763444; NSC-800848; NCGC00263132-01; NCGC00263132-02; NCGC00263132-06; AC-32841; AS-16308; Cyclohexaneacetamide, alpha-amino-N-(5,6-dihydro-2-(1-methyl-1H-pyrazol-4-yl)-6-oxo-1H-pyrrolo(4,3,2-ef)(2,3)benzodiazepin-8-yl)-, (alphaR)-; HY-10032; SMR004703002; DB-080198; PF0044736; PF-0044736; SW219656-1; Y0431; PF-736,PF-00477736; D83426; PF-477736, >=98% (HPLC); A930222; PF-477736,PF-0044736; BRD-K03063480-001-01-7; Q27088334; PF 477736; 952021-60-2; PF0044736; PF477736; PF-477736; (2R)-2-amino-2-cyclohexyl-N-[2-(1-methyl-1H-pyrazol-4-yl)-6-oxo-5,6-dihydro-4H-[1,2]diazepino[4,5,6-cd]indol-8-yl]acetamide; (R)- -Amino-N-[5,6-dihydro-2-(1-methyl-1H-pyrazol-4-yl)-6-oxo-1H-pyrrolo[4,3,2-ef][2,3]benzodiazepin-8-yl]-cyclohexaneacetamide; (R)-2-AMINO-2-CYCLOHEXYL-N-[2-(1-METHYL-1H-PYRAZOL-4-YL)-6-OXO-5,6-DIHYDRO-1H-[1,2]DIAZEPINO[4,5,6-CD]INDOL-8-YL]-ACETAMIDE; 9DB; alpha-Amino-N-[5,6-dihydro-2-(1-methyl-1H-pyrazol-4-yl)-6-oxo-1H-pyrrolo[4,3,2-el][2,3]benzodiazepin-8-yl]-,(alphaR)cyclohexaneacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763444	.	.	.	.	419.5	C22H25N7O2	130	725	1.5	31	4	5	4	"InChI=1S/C22H25N7O2/c1-29-11-13(9-25-29)20-16-10-24-28-21(30)15-7-14(8-17(27-20)18(15)16)26-22(31)19(23)12-5-3-2-4-6-12/h7-12,19,27H,2-6,23H2,1H3,(H,26,31)(H,28,30)/t19-/m1/s1"	CN1C=C(C=N1)C2=C3C=NNC(=O)C4=C3C(=CC(=C4)NC(=O)[C@@H](C5CCCCC5)N)N2	NDEXUOWTGYUVGA-LJQANCHMSA-N
DG69219	"2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol"	135565635	"PP242; 1092351-67-1; TORKinib; PP-242; PP 242; Torkinib (PP242); 2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol; UNII-H5669VNZ7V; 2-[4-Amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol; H5669VNZ7V; CHEBI:90679; 2-[4-Amino-1-(Propan-2-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]-1h-Indol-5-Ol; 2-(4-Amino-1-isopropyl-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-1H-indol-5-ol; 2-[4-Amino-1-(1-methylethyl)-1H-pyrazolo-[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol; DSSTox_CID_28611; DSSTox_RID_82881; DSSTox_GSID_48685; CAS-1092351-67-1; MLS006011184; SCHEMBL298922; GTPL5704; CHEMBL1241674; CHEMBL3988893; DTXSID5048685; SCHEMBL21381567; BDBM36409; CHEBI:95099; AOB6296; EX-A034; QCR-154; SYN1181; HMS3655B12; AMY23716; BCP02319; Tox21_113072; MFCD12196869; NSC764515; s2218; ZINC36056301; AKOS024458060; AKOS026750472; Tox21_113072_1; ZINC110786306; ZINC139045302; CCG-267563; CS-0247; EX-7207; NSC-764515; (2E)-2-(4-amino-1-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-3-ylidene)indol-5-ol; 1H-Indol-5-ol, 2-(4-amino-1-(1-methylethyl)-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-; CID24905147; NCGC00188346-02; NCGC00188346-03; NCGC00387863-04; AC-28392; AS-16317; HY-10474; SMR004702953; FT-0696781; SW220211-1; X7434; A25462; J-507663; BRD-K87112191-001-02-9; Q27088430; Q27166867; 2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-5-ol; 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol; 2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol, PP242; 2-(4-amino-1-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-3-ylidene)-5-indolol; P2X"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764515	.	.	.	.	308.34	C16H16N6O	106	435	2	23	3	5	2	"InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)"	CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(N3)C=CC(=C4)O)N	MFAQYJIYDMLAIM-UHFFFAOYSA-N
DG69220	Zanubrutinib	135565884	"Zanubrutinib; 1691249-45-2; Brukinsa; UNII-AG9MHG098Z; AG9MHG098Z; 1691249-45-2 (S-isomer); BGB3111; (7S)-2-(4-Phenoxyphenyl)-7-(1-(prop-2-enoyl)piperidin-4-yl)-4,5,6,7-tetrahydropyrazolo(1,5-a)pyrimidine-3-carboxamide; (7S)-2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide; (7S)-4,5,6,7-Tetrahydro-7-[1-(1-oxo-2-propen-1-yl)-4-piperidinyl]-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide; (S)-7-(1-Acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide; Brukinsa (TN); Zanubrutinib [INN]; Zanubrutinib [USAN]; Zanubrutinib (USAN/INN); Zanubrutinib [USAN:INN]; BGB-3111(Zanubrutinib); Zanubrutinib (BGB-3111); GTPL9861; CHEMBL3936761; SCHEMBL17842597; BDBM250082; compound 27b [US9447106]; BCP29110; EX-A3602; NSC823807; s8791; ZINC584641430; AT18252; DB15035; HY-101474A; NSC-823807; US9447106, 27b (peak 2); BS-15529; BZ168474; CS-0021869; D11422; BGB-3111; BGB 3111; BGB3111; A934931; 7-(1-acryloyl-4-piperidinyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo(1,5-a)pyrimidine-3-carboxamide; Pyrazolo(1,5-a)pyrimidine-3-carboxamide, 4,5,6,7-tetrahydro-7-(1-(1-oxo-2-propen-1-yl)-4-piperidinyl)-2-(4-phenoxyphenyl)-, (7S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	823807	.	.	.	.	471.5	C27H29N5O3	103	756	3.5	35	2	5	6	"InChI=1S/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)/t22-/m0/s1"	C=CC(=O)N1CCC(CC1)[C@@H]2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N	RNOAOAWBMHREKO-QFIPXVFZSA-N
DG69221	Repotrectinib	135565923	"Repotrectinib; TPX-0005; 1802220-02-5; Ropotrectinib; 08O3FQ4UNP; TPX0005; UNII-08O3FQ4UNP; (3R,11S)-6-fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one; TRX-0005; Repotrectinib (USAN); Repotrectinib [USAN]; Repotrectinib(TPX-005); CHEMBL4298138; SCHEMBL16946804; GTPL10316; TPX 0005 [WHO-DD]; BDBM374727; EX-A2572; TPX 0005; US10246466, Example 93; NSC800522; s8583; AKOS037648789; CCG-268096; CS-7628; NSC-800522; AC-31283; BS-15622; example 93 [US20170334929A1]; HY-103022; C73438; D11454; A910911; (13E,14E,3R,6S)-45-fluoro-3,6-dimethyl-5-oxa-2,8-diaza-1(5,3)-pyrazolo[1,5-a]pyrimidina-4(1,2)-benzenacyclononaphan-9-one; (1Z)-6-Fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo(13.5.2.04,9.018,22)docosa-1,4,6,8,15,19,21-heptaen-14-one; (3R,11S)-6-Fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one; (7S,13R)-11-fluoro-6,7,13,14-tetrahydro-7,13-dimethyl-1,15-etheno-1H-pyrazolo[4,3-f][1,4,8,10]benzoxatriazacyclotridecin-4(5H)-one; (7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrahydro-1,15-ethenopyrazolo[4,3- f][1,4,8,10]benzoxatriazacyclotridecin-4(5H)- one; 1,15-Etheno-1H-pyrazolo(4,3-f)(1,4,8,10)benzoxatriazacyclotridecin-4(5H)-one, 11-fluoro-2,6,7,13-tetrahydro-7,13-dimethyl-, (14Z)-; 1,15-Etheno-1H-pyrazolo(4,3-F)(1,4,8,10)benzoxatriazacyclotridecin-4(5H)-one, 11-fluoro-6,7,13,14-tetrahydro-7,13-dimethyl-, (7S,13R)-; 1,15-Etheno-1H-pyrazolo[4,3-f][1,4,8,10]benzoxatriazacyclotridecin-4(5H)-one,11-fluoro-6,7,13,14-tetrahydro-7,13-dimethyl-, (7S,13R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800522	.	.	.	.	355.4	C18H18FN5O2	80.6	524	2.1	26	2	6	0	"InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1"	C[C@H]1CNC(=O)C2=C3N=C(C=CN3N=C2)N[C@@H](C4=C(O1)C=CC(=C4)F)C	FIKPXCOQUIZNHB-WDEREUQCSA-N
DG69222	"3H-Pyridazino[3,4,5-de]quinazolin-3-one, 8-[(1,3-dihydro-2H-isoindol-2-yl)methyl]-1,2-dihydro-"	135565981	"E7449; 1140964-99-3; E-7449; UNII-9X5A2QIA7C; Stenoparib; Parp inhibitor 2x-121; 9X5A2QIA7C; CID 25267262; 11-(1,3-dihydroisoindol-2-ylmethyl)-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-one; 3H-Pyridazino(3,4,5-de)quinazolin-3-one, 8-((1,3-dihydro-2H-isoindol-2-yl)methyl)-1,2-dihydro-; 3H-Pyridazino[3,4,5-de]quinazolin-3-one, 8-[(1,3-dihydro-2H-isoindol-2-yl)methyl]-1,2-dihydro-; 2X-121; SCHEMBL3886731; CHEMBL3644587; SCHEMBL22023558; BCP19934; EX-A1282; NSC783107; NSC798215; s8419; ZINC59277233; CCG-267668; CS-3479; NSC-783107; NSC-798215; SB16888; HY-12418; A909458; Q27273339; 8-(1,3-dihydro-isoindol-2-ylmethyl)-2,9-dihydro-1,2,7,9-tetraaza-phenalen-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783107	.	.	.	.	317.3	C18H15N5O	69.1	586	1.1	24	2	3	2	"InChI=1S/C18H15N5O/c24-18-13-6-3-7-14-16(13)17(21-22-18)20-15(19-14)10-23-8-11-4-1-2-5-12(11)9-23/h1-7H,8-10H2,(H,22,24)(H,19,20,21)"	C1C2=CC=CC=C2CN1CC3=NC4=NNC(=O)C5=C4C(=CC=C5)N3	JLFSBHQQXIAQEC-UHFFFAOYSA-N
DG69224	"3-Amino-6-(1,3-dihydro-2H-benzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one"	135578129	"2ARYL BENIMIDAZOLE; DTXSID20490328; NSC731097; AKOS000155651; NSC-731097; 69498-45-9; 2-(1H-Benzimidazol-2-yl)-5-aminophenol; 5-amino-2-(1h-benzoimidazol-2-yl)-phenol; 3-Amino-6-(1,3-dihydro-2H-benzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731097	.	.	.	.	225.25	C13H11N3O	74.9	273	1.6	17	3	3	1	"InChI=1S/C13H11N3O/c14-8-5-6-9(12(17)7-8)13-15-10-3-1-2-4-11(10)16-13/h1-7,17H,14H2,(H,15,16)"	C1=CC=C2C(=C1)NC(=N2)C3=C(C=C(C=C3)N)O	ANUZUKHFRJRBFU-UHFFFAOYSA-N
DG69225	4-Amino-7(4'-hydroxy-phenyl)-5-(4	135580405	NSC734135; NSC-734135; 4-Amino-7(4'-hydroxy-phenyl)-5-(4	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734135	.	.	.	.	376.4	C20H16N4O2S	124	739	2.3	27	3	4	3	"InChI=1S/C20H16N4O2S/c1-26-14-8-4-11(5-9-14)15-10-16(12-2-6-13(25)7-3-12)22-19-17(15)18(21)23-20(27)24-19/h2-10,25H,1H3,(H3,21,22,23,24,27)"	COC1=CC=C(C=C1)C2=CC(=NC3=NC(=S)NC(=C23)N)C4=CC=C(C=C4)O	RELNNYPVGUQPGT-UHFFFAOYSA-N
DG69226	"1,3-bis[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	135580407	NSC-734184; CHEMBL1910746; NSC734184	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734184	.	.	.	.	825.1	C29H24Cl3N11O8S2	292	1260	.	53	4	15	12	"InChI=1S/C29H23Cl2N11O8S2.ClH/c1-47-19-7-15(41(43)44)21(49-3)5-13(19)25-17(39-11-23(30)51-28(39)35-25)9-33-37-27(32)38-34-10-18-26(36-29-40(18)12-24(31)52-29)14-6-22(50-4)16(42(45)46)8-20(14)48-2;/h5-12H,1-4H3,(H3,32,37,38);1H/b33-9+,34-10+;"	COC1=CC(=C(C=C1C2=C(N3C(=N2)SC(=C3)Cl)/C=N/NC(=N)N/N=C/C4=C(N=C5N4C=C(S5)Cl)C6=CC(=C(C=C6OC)[N+](=O)[O-])OC)OC)[N+](=O)[O-].Cl	WZISMQIHUCUIJG-WBKVQKAISA-N
DG69227	"[(Z)-(9-methoxy-6-oxo-5H-indeno[1,2-c]quinolin-11-ylidene)amino] acetate"	135580410	NSC734656; NSC-734656	.	.	Investigative Drug(s)	Investigative	Small molecular drug	734656	.	.	.	.	334.3	C19H14N2O4	77	654	2.5	25	1	5	3	"InChI=1S/C19H14N2O4/c1-10(22)25-21-18-14-9-11(24-2)7-8-12(14)17-16(18)13-5-3-4-6-15(13)20-19(17)23/h3-9H,1-2H3,(H,20,23)/b21-18-"	CC(=O)O/N=C\\1/C2=C(C=CC(=C2)OC)C3=C1C4=CC=CC=C4NC3=O	MCZVOYAFIHWNLF-UZYVYHOESA-N
DG69228	1'-beta-7-(2-amino-1H-benzoquinazolin-4-one)-2'-deoxy-D-ribofuranose	135580412	NSC735363; NSC-735363; 1'-.beta.-7-(2-amino-1H-benzoquinazolin-4-one)-2'-deoxy-D-ribofuranose	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735363	.	.	.	.	327.33	C17H17N3O4	117	540	0.5	24	4	5	2	"InChI=1S/C17H17N3O4/c18-17-19-12-5-8-1-2-9(14-6-13(22)15(7-21)24-14)3-10(8)4-11(12)16(23)20-17/h1-5,13-15,21-22H,6-7H2,(H3,18,19,20,23)"	C1C(C(OC1C2=CC3=CC4=C(C=C3C=C2)N=C(NC4=O)N)CO)O	BVFKOMJITOQCOQ-UHFFFAOYSA-N
DG69229	"7-beta-D-Ribofuranosyl-4-oxo-3H-thieno-[3,4-d]pyrimidine"	135580413	"NSC735827; NSC-735827; 7-.beta.-D-Ribofuranosyl-4-oxo-3H-thieno-[3,4-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	735827	.	.	.	.	284.29	C11H12N2O5S	140	407	-1.4	19	4	7	2	"InChI=1S/C11H12N2O5S/c14-1-5-7(15)8(16)9(18-5)10-6-4(2-19-10)11(17)13-3-12-6/h2-3,5,7-9,14-16H,1H2,(H,12,13,17)"	C1=C2C(=C(S1)C3C(C(C(O3)CO)O)O)N=CNC2=O	UDETWAIEMXXFKP-UHFFFAOYSA-N
DG69230	N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide	135580415	NSC736150; NSC-736150	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736150	.	.	.	.	440.4	C21H15F3N6O2	105	685	3.8	32	2	9	4	"InChI=1S/C21H15F3N6O2/c1-12-18(20(32)28-26-11-13-5-7-14(31)8-6-13)27-29-30(12)17-9-10-25-19-15(17)3-2-4-16(19)21(22,23)24/h2-11,31H,1H3,(H,28,32)/b26-11+"	CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C(=O)N/N=C/C4=CC=C(C=C4)O	WWTQJQVHECEMCY-KBKYJPHKSA-N
DG69231	1-Benzhydrylsulfanyl-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]propan-2-one	135580423	NSC736574; NSC-736574	.	.	Investigative Drug(s)	Investigative	Small molecular drug	736574	.	.	.	.	405.5	C24H23NO3S	84.2	496	4.9	29	1	5	9	"InChI=1S/C24H23NO3S/c1-28-23-14-18(12-13-22(23)27)15-25-16-21(26)17-29-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,24,27H,16-17H2,1H3"	COC1=C(C=CC(=C1)C=NCC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3)O	IAPQFLGRQCTRSS-UHFFFAOYSA-N
DG69232	Indirubin 2	135580426	"INDIRUBIN 2; UNM-0000305772; 5-bromo-indirubin-3'-oxime; 5-bromoindirubin-3''-oxime; CHEMBL253770; CHEMBL379494; SCHEMBL22215161; BDBM54682; cid_24205929; BDBM50012187; BDBM50191431; NSC737348; NSC-737348; 5-bromo-3-[3-(hydroxyamino)-1H-indol-2-yl]-2-indolone; 5-bromo-3-[3-(hydroxyamino)-1H-indol-2-yl]indol-2-one; 5-bromanyl-3-[3-(oxidanylamino)-1H-indol-2-yl]indol-2-one; (3Z)-5-bromo-3-[(3E)-3-hydroxyiminoindolin-2-ylidene]indolin-2-one; 5-Bromo-3-[3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	737348	.	.	.	.	356.17	C16H10BrN3O2	81.2	438	3.9	22	3	3	1	"InChI=1S/C16H10BrN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18-19,21H"	C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=C(C=C4)Br)O)N=O	YSIKXXBSGNCIBA-UHFFFAOYSA-N
DG69233	"4-[6-(4-Fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]phenol"	135585388	NSC726267; NSC-726267	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726267	.	.	.	.	404.4	C21H13FN4O2S	101	547	4.9	29	1	7	4	"InChI=1S/C21H13FN4O2S/c22-17-11-8-14(12-18(17)28-16-4-2-1-3-5-16)20-25-26-19(23-24-21(26)29-20)13-6-9-15(27)10-7-13/h1-12,27H"	C1=CC=C(C=C1)OC2=C(C=CC(=C2)C3=NN4C(=NN=C4S3)C5=CC=C(C=C5)O)F	IYEWNQRTRQMJNK-UHFFFAOYSA-N
DG69234	"3-[(Dimethylamino)methyl]-4,3-f]in dole-5,10-dione hydrochloride"	135585398	"NSC726439; NSC-726439; 3-[(dimethylamino)methyl]-4,3-f]in dole-5,10-dione hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726439	.	.	.	.	372.8	C19H17ClN2O4	93.6	566	.	26	4	5	2	"InChI=1S/C19H16N2O4.ClH/c1-21(2)8-9-7-20-15-12(9)18(24)13-14(19(15)25)17(23)11-6-4-3-5-10(11)16(13)22;/h3-7,20,22-23H,8H2,1-2H3;1H"	CN(C)CC1=CNC2=C1C(=O)C3=C(C4=CC=CC=C4C(=C3C2=O)O)O.Cl	MLTCXVZNLHVOFS-UHFFFAOYSA-N
DG69235	"4,3-f]Indo le-5,10-dione dihydrochloride"	135585399	"NSC726440; NSC-726440; 4,3-f]indo le-5,10-dione dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726440	.	.	.	.	413.9	C21H20ClN3O4	106	637	.	29	5	6	2	"InChI=1S/C21H19N3O4.ClH/c25-18-12-3-1-2-4-13(12)19(26)16-15(18)20(27)14-11(9-23-17(14)21(16)28)10-24-7-5-22-6-8-24;/h1-4,9,22-23,25-26H,5-8,10H2;1H"	C1CN(CCN1)CC2=CNC3=C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O.Cl	FQHGQCVNTJXWDP-UHFFFAOYSA-N
DG69236	"5,10-dihydroxy-3-[(4-methylpiperazin-1-yl)methyl]-1H-naphtho[2,3-f]indole-4,11-dione;hydrochloride"	135585400	NSC726441; NSC-726441	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726441	.	.	.	.	427.9	C22H22ClN3O4	96.9	664	.	30	4	6	2	"InChI=1S/C22H21N3O4.ClH/c1-24-6-8-25(9-7-24)11-12-10-23-18-15(12)21(28)16-17(22(18)29)20(27)14-5-3-2-4-13(14)19(16)26;/h2-5,10,23,26-27H,6-9,11H2,1H3;1H"	CN1CCN(CC1)CC2=CNC3=C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O.Cl	JBMSAAIHTMIMHQ-UHFFFAOYSA-N
DG69237	"5,10-dihydroxy-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-naphtho[2,3-f]indole-4,11-dione;hydrochloride"	135585401	NSC726442; NSC-726442	.	.	Investigative Drug(s)	Investigative	Small molecular drug	726442	.	.	.	.	457.9	C23H24ClN3O5	117	697	.	32	5	7	4	"InChI=1S/C23H23N3O5.ClH/c27-10-9-25-5-7-26(8-6-25)12-13-11-24-19-16(13)22(30)17-18(23(19)31)21(29)15-4-2-1-3-14(15)20(17)28;/h1-4,11,24,27-29H,5-10,12H2;1H"	C1CN(CCN1CCO)CC2=CNC3=C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O.Cl	JCRIGQYUMRODFZ-UHFFFAOYSA-N
DG69238	"5-Methyl-N-phenyl-5H-indolo[2,3-B]quinolin-11-amine"	135585429	"5-METHYL-N-PHENYL-5H-INDOLO[2,3-B]QUINOLIN-11-AMINE; CHEMBL2235092; DTXSID90639808; NSC727484; NSC-727484; 824935-69-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727484	.	.	.	.	323.4	C22H17N3	31.4	509	5.4	25	1	2	1	"InChI=1S/C22H17N3/c1-25-19-14-8-6-12-17(19)21(23-15-9-3-2-4-10-15)20-16-11-5-7-13-18(16)24-22(20)25/h2-14,24H,1H3"	CN1C2=CC=CC=C2C(=NC3=CC=CC=C3)C4=C1NC5=CC=CC=C54	TUODYPNSPPCXSX-UHFFFAOYSA-N
DG69239	"1-(2,3-Dihydroxybenzyl)-2-(2,3-dihydroxyphenyl)-1H-benzoimidazole"	135585440	"NSC728196; NSC-728196; 1-(2,3-dihydroxyphenyl)-benzimidazol e; 1-(2,3-Dihydroxybenzyl)-2-(2,3-dihydroxyphenyl)-1H-benzoimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728196	.	.	.	.	348.4	C20H16N2O4	98.7	479	3.3	26	4	5	3	"InChI=1S/C20H16N2O4/c23-16-9-3-5-12(18(16)25)11-22-15-8-2-1-7-14(15)21-20(22)13-6-4-10-17(24)19(13)26/h1-10,23-26H,11H2"	C1=CC=C2C(=C1)N=C(N2CC3=C(C(=CC=C3)O)O)C4=C(C(=CC=C4)O)O	WMSBOLVSPZBVFF-UHFFFAOYSA-N
DG69240	"1-(3,4-Dihydroxyphenyl)-5,6-dimethyl-benzimidazole"	135585441	"NSC728197; NSC-728197; 1-(3,4-dihydroxyphenyl)-5,6-dimethyl -benzimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728197	.	.	.	.	376.4	C22H20N2O4	98.7	535	4	28	4	5	3	"InChI=1S/C22H20N2O4/c1-12-7-16-17(8-13(12)2)24(11-14-3-5-18(25)20(27)9-14)22(23-16)15-4-6-19(26)21(28)10-15/h3-10,25-28H,11H2,1-2H3"	CC1=CC2=C(C=C1C)N(C(=N2)C3=CC(=C(C=C3)O)O)CC4=CC(=C(C=C4)O)O	KQVRGQYUWPKTKJ-UHFFFAOYSA-N
DG69241	4-{[4-(1H-benzo[d]imidazol-2-yl)phenylamino]methylene}-3-met hyl-1H-pyrazol-5(4H)-one	135585459	NSC729789; NSC-729789; 4-{[4-(1H-benzo[d]imidazol-2-yl)phenylamino]methylene}-3-met hyl-1H-pyrazol-5(4H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729789	.	.	.	.	317.3	C18H15N5O	82.2	550	2.8	24	3	4	3	"InChI=1S/C18H15N5O/c1-11-14(18(24)23-22-11)10-19-13-8-6-12(7-9-13)17-20-15-4-2-3-5-16(15)21-17/h2-10H,1H3,(H,20,21)(H2,22,23,24)"	CC1=C(C(=O)NN1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3	UZYRZYVWDQENTQ-UHFFFAOYSA-N
DG69242	"5-({[4-(1,4,6(1H,3H,5H)-trione"	135585463	"NSC729797; NSC-729797; 5-({[4-(1,4,6(1H,3H,5H)-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729797	.	.	.	.	348.3	C18H12N4O4	117	639	1.9	26	3	6	3	"InChI=1S/C18H12N4O4/c23-15-12(16(24)22-18(25)21-15)9-19-11-7-5-10(6-8-11)17-20-13-3-1-2-4-14(13)26-17/h1-9H,(H3,21,22,23,24,25)"	C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)N=CC4=C(NC(=O)NC4=O)O	JXCWRPICUGKLBP-UHFFFAOYSA-N
DG69243	3-Amino-4-{(E)-[4-(1H-benzimidazol-2-yl)phenyl]diazenyl}phen ol	135585466	NSC729833; NSC-729833; 3-Amino-4-{(E)-[4-(1H-benzimidazol-2-yl)phenyl]diazenyl}phen ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	729833	.	.	.	.	329.4	C19H15N5O	99.6	465	4	25	3	5	3	"InChI=1S/C19H15N5O/c20-15-11-14(25)9-10-16(15)24-23-13-7-5-12(6-8-13)19-21-17-3-1-2-4-18(17)22-19/h1-11,25H,20H2,(H,21,22)"	C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=NC4=C(C=C(C=C4)O)N	WKWFCUGTSWDBLA-UHFFFAOYSA-N
DG69244	"4-(1,3-Benzothiazol-2-yldiazenyl)-2-methylsulfanylnaphthalen-1-ol"	135585470	NSC730199; NSC-730199	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730199	.	.	.	.	351.4	C18H13N3OS2	111	464	5.9	24	1	6	3	"InChI=1S/C18H13N3OS2/c1-23-16-10-14(11-6-2-3-7-12(11)17(16)22)20-21-18-19-13-8-4-5-9-15(13)24-18/h2-10,22H,1H3"	CSC1=C(C2=CC=CC=C2C(=C1)N=NC3=NC4=CC=CC=C4S3)O	AUHWBKSPRBPAEV-UHFFFAOYSA-N
DG69245	NSC730517	135585485	"(2Z)-2-[[5-methyl-4-[5-methyl-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one; NSC730517; NSC-730517"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730517	.	.	.	.	424.6	C14H12N6O2S4	216	618	3.1	26	2	10	3	"InChI=1S/C14H12N6O2S4/c1-5-9(17-13(25-5)19-11-15-7(21)3-23-11)10-6(2)26-14(18-10)20-12-16-8(22)4-24-12/h3-4H2,1-2H3,(H,15,17,19,21)(H,16,18,20,22)"	CC1=C(N=C(S1)/N=C/2\\SCC(=O)N2)C3=C(SC(=N3)/N=C/4\\SCC(=O)N4)C	MRNWTMJCTQGMIV-UHFFFAOYSA-N
DG69246	"2-[5-(4-Methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol"	135585492	NSC730708; NSC-730708	.	.	Investigative Drug(s)	Investigative	Small molecular drug	730708	.	.	.	.	315.3	C15H13N3O3S	116	355	3.2	22	3	7	4	"InChI=1S/C15H13N3O3S/c1-21-11-5-2-9(3-6-11)16-15-18-17-14(22-15)12-8-10(19)4-7-13(12)20/h2-8,19-20H,1H3,(H,16,18)"	COC1=CC=C(C=C1)NC2=NN=C(S2)C3=C(C=CC(=C3)O)O	OFWZJVYHRJOOLV-UHFFFAOYSA-N
DG69247	"5-(2,5-Dihydroxyphenyl)-1,3-diphenylpyrazole"	135585506	"CHEMBL2262675; NSC731809; NSC-731809; 5-(2,5-dihydroxyphenyl)-1,3-diphenylpyrazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731809	.	.	.	.	328.4	C21H16N2O2	58.3	420	4.5	25	2	3	3	"InChI=1S/C21H16N2O2/c24-17-11-12-21(25)18(13-17)20-14-19(15-7-3-1-4-8-15)22-23(20)16-9-5-2-6-10-16/h1-14,24-25H"	C1=CC=C(C=C1)C2=NN(C(=C2)C3=C(C=CC(=C3)O)O)C4=CC=CC=C4	SFVJVESRMFNPEG-UHFFFAOYSA-N
DG69248	"3-(4-Chlorophenyl)-5-(2,5-dihydroxyphenyl)-1-phenylpyrazole"	135585509	"CHEMBL2262676; NSC731812; NSC-731812; 3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)-1-phenylpyrazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731812	.	.	.	.	362.8	C21H15ClN2O2	58.3	451	5.1	26	2	3	3	"InChI=1S/C21H15ClN2O2/c22-15-8-6-14(7-9-15)19-13-20(18-12-17(25)10-11-21(18)26)24(23-19)16-4-2-1-3-5-16/h1-13,25-26H"	C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=C(C=CC(=C4)O)O	CIWXARNBSXBHLE-UHFFFAOYSA-N
DG69249	"N-acetyl-4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]benzene-sulfonamide"	135585511	"CHEMBL2262680; NSC731814; NSC-731814; N-acetyl-4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]benzene-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731814	.	.	.	.	483.9	C23H18ClN3O5S	130	778	3.9	33	3	6	5	"InChI=1S/C23H18ClN3O5S/c1-14(28)26-33(31,32)19-9-6-17(7-10-19)27-22(20-12-18(29)8-11-23(20)30)13-21(25-27)15-2-4-16(24)5-3-15/h2-13,29-30H,1H3,(H,26,28)"	CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=C(C=CC(=C4)O)O	LRCVMRQXAZXSMK-UHFFFAOYSA-N
DG69250	"1-(4-{[5-(2-Hydroxy-phenyl)-2-thiox o-[1,4]oxadiazol-3-ylmethyl]-amin o}-phenyl)-ethanone"	135585516	"NSC731987; NSC-731987; 1-(4-{[5-(2-Hydroxy-phenyl)-2-thiox o-[1,4]oxadiazol-3-ylmethyl]-amin o}-phenyl)-ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731987	.	.	.	.	341.4	C17H15N3O3S	106	517	3.3	24	2	6	5	"InChI=1S/C17H15N3O3S/c1-11(21)12-6-8-13(9-7-12)18-10-20-17(24)23-16(19-20)14-4-2-3-5-15(14)22/h2-9,18,22H,10H2,1H3"	CC(=O)C1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=CC=CC=C3O	BZJBYBVHJYZQJD-UHFFFAOYSA-N
DG69251	"5-(2-Hydroxyphenyl)-3-[(4-chlorophenyl)aminomethyl]-1,3,4-oxadiazole-2(3H)-thione"	135585518	"NSC731989; NSC-731989; 3-[(4-Chloro-phenylamino)-methyl]-5 -(2-hydroxy-phenyl)-3H-[1,4]oxadi azole-2-thione; 5-(2-Hydroxyphenyl)-3-[(4-chlorophenyl)aminomethyl]-1,3,4-oxadiazole-2(3H)-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731989	.	.	.	.	333.8	C15H12ClN3O2S	89.2	441	4.3	22	2	5	4	"InChI=1S/C15H12ClN3O2S/c16-10-5-7-11(8-6-10)17-9-19-15(22)21-14(18-19)12-3-1-2-4-13(12)20/h1-8,17,20H,9H2"	C1=CC=C(C(=C1)C2=NN(C(=S)O2)CNC3=CC=C(C=C3)Cl)O	RWFVKMOHCHLGFN-UHFFFAOYSA-N
DG69252	"2-({[5-(2-Hydroxyphenyl)-2-thioxo-2,3,4-oxadiazo l-3-yl]methyl}amino)benzoic acid"	135585519	"NSC731991; NSC-731991; 2-({[5-(2-hydroxyphenyl)-2-thioxo-2,3,4-oxadiazo l-3-yl]methyl}amino)benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731991	.	.	.	.	343.4	C16H13N3O4S	127	528	3.7	24	3	7	5	"InChI=1S/C16H13N3O4S/c20-13-8-4-2-6-11(13)14-18-19(16(24)23-14)9-17-12-7-3-1-5-10(12)15(21)22/h1-8,17,20H,9H2,(H,21,22)"	C1=CC=C(C(=C1)C2=NN(C(=S)O2)CNC3=CC=CC=C3C(=O)O)O	FYRYTKBSGLWJHW-UHFFFAOYSA-N
DG69253	"4-({[5-(2-Hydroxyphenyl)-2-thioxo-2,3,4-oxadiazo l-3-yl]methyl}amino)benzoic acid"	135585520	"NSC731992; NSC-731992; 4-({[5-(2-hydroxyphenyl)-2-thioxo-2,3,4-oxadiazo l-3-yl]methyl}amino)benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	731992	.	.	.	.	343.4	C16H13N3O4S	127	520	3.2	24	3	7	5	"InChI=1S/C16H13N3O4S/c20-13-4-2-1-3-12(13)14-18-19(16(24)23-14)9-17-11-7-5-10(6-8-11)15(21)22/h1-8,17,20H,9H2,(H,21,22)"	C1=CC=C(C(=C1)C2=NN(C(=S)O2)CNC3=CC=C(C=C3)C(=O)O)O	XIJMQFXOAUBRFS-UHFFFAOYSA-N
DG69254	2-[(Z)-(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylideneamino]guanidine;hydrochloride	135585534	NSC732188; NSC-732188	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732188	.	.	.	.	316.18	C12H15Cl2N5O	102	371	.	20	4	3	3	"InChI=1S/C12H14ClN5O.ClH/c1-6-3-9-7(4-10(6)19-2)8(11(13)17-9)5-16-18-12(14)15;/h3-5,17H,1-2H3,(H4,14,15,18);1H/b16-5-;"	CC1=CC2=C(C=C1OC)C(=C(N2)Cl)/C=N\\N=C(N)N.Cl	GMUMZGXBVRCMDO-ZTQBIIPRSA-N
DG69255	"[6-(4-Bromophenyl)imidazo[2,1-b]thiazol-3-yl]acetic acid 2-hydroxy-5-bromobenzylidenehydrazide"	135585540	"NSC732336; NSC-732336; [6-(4-bromophenyl)imidazo[2,1-b]thiazol-3-yl]acetic acid 2-hydroxy-5-bromobenzylidenehydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732336	.	.	.	.	534.2	C20H14Br2N4O2S	107	605	5.4	29	2	5	5	"InChI=1S/C20H14Br2N4O2S/c21-14-3-1-12(2-4-14)17-10-26-16(11-29-20(26)24-17)8-19(28)25-23-9-13-7-15(22)5-6-18(13)27/h1-7,9-11,27H,8H2,(H,25,28)/b23-9+"	C1=CC(=CC=C1C2=CN3C(=CSC3=N2)CC(=O)N/N=C/C4=C(C=CC(=C4)Br)O)Br	QFQBZKJVOUGOLP-NUGSKGIGSA-N
DG69256	1-Phenyl-5-[5-(3-trifluoromethylphenyl)-1H-pyrazol-4-yl]-1H-tetrazole	135659246	NSC742219; ZINC16523889; AKOS024386801; MCULE-2093457455; NSC-742219; AG-401/41477051; 1-Phenyl-5-[5-(3-trifluoromethylphenyl)-1H-pyrazol-4-yl]-1H-tetrazole; 1-phenyl-5-{5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-1H-tetraazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742219	.	.	.	.	356.3	C17H11F3N6	72.3	470	3.7	26	1	7	3	"InChI=1S/C17H11F3N6/c18-17(19,20)12-6-4-5-11(9-12)15-14(10-21-22-15)16-23-24-25-26(16)13-7-2-1-3-8-13/h1-10H,(H,21,22)"	C1=CC=C(C=C1)N2C(=NN=N2)C3=C(NN=C3)C4=CC(=CC=C4)C(F)(F)F	TUTIMSOIADPHJN-UHFFFAOYSA-N
DG69257	2-(2-Pyridylazo)-5-dimethylaminophenol	135741596	"50783-80-7; 2-(2-Pyridylazo)-5-dimethylaminophenol; 5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol; 5-Dimethylamino-2-(2-pyridylazo)phenol; SCHEMBL5981715; DTXSID30710100; MFCD00059778; NSC794456; AKOS037646265; ZINC100252302; ZINC256160883; NSC-794456; AS-67744; 2-(2-Pyridylazo)-5-(dimethylamino)phenol; P0910; T72546; (E)-5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol; 5-(dimethylamino)-2-[(1E)-2-(pyridin-2-yl)diazen-1-yl]phenol; 3-(Dimethylamino)-6-[2-(pyridin-2-yl)hydrazinylidene]cyclohexa-2,4-dien-1-one; 5-Dimethylamino-2-(2-pyridylazo)phenol [for Determination of Zinc in Serum]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794456	.	.	.	.	242.28	C13H14N4O	61.1	282	2.8	18	1	5	3	"InChI=1S/C13H14N4O/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13/h3-9,18H,1-2H3"	CN(C)C1=CC(=C(C=C1)N=NC2=CC=CC=N2)O	RBYWVGOQLYTZCK-UHFFFAOYSA-N
DG69258	"5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one"	135743681	"1207454-56-5; 5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one; BMN-673 (Racemic); BMN 673; LT-673; CHEMBL3765528; BMN-673 8R,9S; 7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one; SCHEMBL2046086; SCHEMBL20101601; HMS3652L18; HMS3746A07; BCP07266; EX-A4206; BDBM50145143; LT-628; MFCD20488024; NSC765396; AKOS032947287; NSC-765396; SB16478; AS-55844; DA-35019; DB-061798; FT-0701562; FT-0701676; (11R,12S)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.0^{5,13]trideca-1(13),5,7,9-tetraen-4-one; (11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.0^{5,13]trideca-1(13),5,7,9-tetraen-4-one; 5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3h-pyrido[4,3,2-de]phthalazin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765396	.	.	.	.	380.4	C19H14F2N6O	84.2	654	2.3	28	2	7	2	"InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)"	CN1C(=NC=N1)C2C(NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	HWGQMRYQVZSGDQ-UHFFFAOYSA-N
DG69259	"2-methoxy-4-[(E)-[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol"	135778714	GW644007X; CHEMBL63728; HMS3303O10; HMS3305C15; NSC756298; NSC-756298; AB01092277-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756298	.	.	.	.	326.35	C16H18N6O2	97.4	435	2.5	24	2	7	5	"InChI=1S/C16H18N6O2/c1-10(2)22-16-12(8-20-22)15(17-9-18-16)21-19-7-11-4-5-13(23)14(6-11)24-3/h4-10,23H,1-3H3,(H,17,18,21)/b19-7+"	CC(C)N1C2=NC=NC(=C2C=N1)N/N=C/C3=CC(=C(C=C3)O)OC	ZHJIZOYQFUOCHV-FBCYGCLPSA-N
DG69260	"4-[(E)-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol"	135778715	CHEMBL65945; HMS3303I17; HMS3305E15; NSC756297; NSC-756297; AB01092276-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756297	.	.	.	.	374.4	C20H18N6O2	97.4	515	3.3	28	2	7	6	"InChI=1S/C20H18N6O2/c1-28-18-9-15(7-8-17(18)27)10-23-25-19-16-11-24-26(20(16)22-13-21-19)12-14-5-3-2-4-6-14/h2-11,13,27H,12H2,1H3,(H,21,22,25)/b23-10+"	COC1=C(C=CC(=C1)/C=N/NC2=C3C=NN(C3=NC=N2)CC4=CC=CC=C4)O	ASFADYMEYHSSND-AUEPDCJTSA-N
DG69261	NSC764764	135817419	"2(R)-[4(S)-carboxy-4-[4-[N-(2-hydroxymethyl-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)-N-(2-propynyl)amino]-benzamido]butyramido]pentanedioic acid; CHEMBL1253498; SCHEMBL987566; SCHEMBL12333724; 501332-69-0; BDBM50326712; NSC764764; NSC-764764; 2(R)-[4(S)-carboxy-4-[4-[N-(2-hydroxymethyl-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)-N-(2-propynyl)amino]-benzamido]butyramido]pentanedioic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764764	.	.	.	.	647.6	C32H33N5O10	235	1300	0.2	47	7	12	15	"InChI=1S/C32H33N5O10/c1-2-13-37(25-10-5-18-14-24-21(15-20(18)25)30(43)36-26(16-38)33-24)19-6-3-17(4-7-19)29(42)35-23(32(46)47)8-11-27(39)34-22(31(44)45)9-12-28(40)41/h1,3-4,6-7,14-15,22-23,25,38H,5,8-13,16H2,(H,34,39)(H,35,42)(H,40,41)(H,44,45)(H,46,47)(H,33,36,43)/t22-,23+,25 /m1/s1"	C#CCN(C1CCC2=CC3=C(C=C12)C(=O)NC(=N3)CO)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O	NVHRBQOZEMFKLD-QRKINALSSA-N
DG69262	"Ethyl, prodigisine"	135829283	"Ethyl, prodigisine; NSC742418; NSC-742418"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742418	.	.	.	.	331.8	C18H22ClN3O	53.2	509	.	23	3	2	4	"InChI=1S/C18H21N3O.ClH/c1-5-13-11(2)15(20-12(13)3)9-17-18(22-4)10-16(21-17)14-7-6-8-19-14;/h6-10,19-20H,5H2,1-4H3;1H/b17-9-;"	CCC1=C(NC(=C1C)/C=C\\2/C(=CC(=N2)C3=CC=CN3)OC)C.Cl	OJIDHWPRHCQMKU-WPTDRQDKSA-N
DG69263	Bare prodigiosine	135829284	bare prodigiosine; NSC742419; NSC-742419	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742419	.	.	.	.	275.73	C14H14ClN3O	53.2	411	.	19	3	2	3	"InChI=1S/C14H13N3O.ClH/c1-18-14-9-12(11-5-3-7-16-11)17-13(14)8-10-4-2-6-15-10;/h2-9,15-16H,1H3;1H/b13-8-;"	COC\\1=CC(=N/C1=C\\C2=CC=CN2)C3=CC=CN3.Cl	LEHXOMYYLQSSKD-MGAWDJABSA-N
DG69264	"3-(5-Chloro-1H-benzoimidazole-2-yl)-1,2-dihydroquinoline-2-one"	135863082	"CHEMBL4277308; NSC749046; NSC-749046; 3-(5-Chloro-1H-benzoimidazole-2-yl)-1,2-dihydroquinoline-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749046	.	.	.	.	295.72	C16H10ClN3O	57.8	466	3.2	21	2	2	1	"InChI=1S/C16H10ClN3O/c17-10-5-6-13-14(8-10)19-15(18-13)11-7-9-3-1-2-4-12(9)20-16(11)21/h1-8H,(H,18,19)(H,20,21)"	C1=CC=C2C(=C1)C=C(C(=O)N2)C3=NC4=C(N3)C=C(C=C4)Cl	DXOHCQPYGGDAGK-UHFFFAOYSA-N
DG69265	"(2''Z,3''E)-5-Nitro-5''-hydroxy-indirubin-3''-oxime"	135873213	"CHEMBL1088704; CHEMBL4457608; SCHEMBL22362587; AGM-130; BDBM50317161; BDBM50528816; NSC777389; NSC-777389; (2''Z,3''E)-5-Nitro-5''-hydroxy-indirubin-3''-oxime"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777389	.	.	.	.	338.27	C16H10N4O5	147	543	2.7	25	4	6	1	"InChI=1S/C16H10N4O5/c21-8-2-4-12-10(6-8)14(19-23)15(17-12)13-9-5-7(20(24)25)1-3-11(9)18-16(13)22/h1-6,17-18,21-22H"	C1=CC2=C(C=C1[N+](=O)[O-])C(=C(N2)O)C3=C(C4=C(N3)C=CC(=C4)O)N=O	KDYHYRKDQJLNGS-UHFFFAOYSA-N
DG69266	"2,7-bis(3-(dimethylamino)propyl)-4,10-bis(3-(dimethylamino)propylamino)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone"	135875630	"CHEMBL255733; SCHEMBL13000456; NSC753938; NSC-753938; 2,7-bis(3-(dimethylamino)propyl)-4,10-bis(3-(dimethylamino)propylamino)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753938	.	.	.	.	636.8	C34H52N8O4	115	1410	0.8	46	2	10	17	"InChI=1S/C34H52N8O4/c1-37(2)15-9-13-35-25-21-23-28-27-24(32(44)41(33(45)29(25)27)19-11-17-39(5)6)22-26(36-14-10-16-38(3)4)30(28)34(46)42(31(23)43)20-12-18-40(7)8/h21-22,35,43H,9-20H2,1-8H3"	CN(C)CCCNC1=CC2=C(N(C(=O)C3=C2C4=C1C(=O)N(C(=O)C4=CC3=NCCCN(C)C)CCCN(C)C)CCCN(C)C)O	ZGVKBROBIHTXKM-UHFFFAOYSA-N
DG69267	NSC753940	135875632	"14-Hydroxy-6,13-bis(3-pyrrolidin-1-ylpropyl)-3-(3-pyrrolidin-1-ylpropylamino)-10-(3-pyrrolidin-1-ylpropylimino)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),8,11(15)-pentaene-5,7,12-trione; CHEMBL404725; SCHEMBL13000473; NSC753940; NSC-753940"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753940	.	.	.	.	741	C42H60N8O4	115	1670	2.7	54	2	10	17	"InChI=1S/C42H60N8O4/c51-39-31-29-33(43-13-9-23-45-15-1-2-16-45)37-35-32(40(52)49(41(37)53)27-11-25-47-19-5-6-20-47)30-34(44-14-10-24-46-17-3-4-18-46)38(36(31)35)42(54)50(39)28-12-26-48-21-7-8-22-48/h29-30,43,51H,1-28H2"	C1CCN(C1)CCCNC2=CC3=C(N(C(=O)C4=C3C5=C2C(=O)N(C(=O)C5=CC4=NCCCN6CCCC6)CCCN7CCCC7)CCCN8CCCC8)O	DBEUWOMSYGTSOR-UHFFFAOYSA-N
DG69268	"(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-5-imino-1-(3-methoxyphenyl)pyrrolidin-2-one"	135892287	NSC744115; AKOS034446020; MCULE-4990936288; NSC-744115	.	.	Investigative Drug(s)	Investigative	Small molecular drug	744115	.	.	.	.	337.4	C18H15N3O2S	90.7	577	2.9	24	2	5	2	"InChI=1S/C18H15N3O2S/c1-23-12-6-4-5-11(9-12)21-16(22)10-13(17(21)19)18-20-14-7-2-3-8-15(14)24-18/h2-9,19-20H,10H2,1H3/b18-13+,19-17 "	COC1=CC=CC(=C1)N2C(=O)C/C(=C\\3/NC4=CC=CC=C4S3)/C2=N	APTGXTJYNDSBIO-BUTQJWPISA-N
DG69269	"6-(4'-Hydroxy-2'-methylphenyl)-2-benzenesulfonamide-4,5-dihydropyridazine-3(2H)-one"	135894397	"NSC747556; NSC-747556; 6-(4'-Hydroxy-2'-methylphenyl)-2-benzenesulfonamide-4,5-dihydropyridazine-3(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747556	.	.	.	.	359.4	C17H17N3O4S	121	635	1.2	25	2	6	3	"InChI=1S/C17H17N3O4S/c1-11-10-13(21)4-7-15(11)16-8-9-17(22)20(19-16)12-2-5-14(6-3-12)25(18,23)24/h2-7,10,21H,8-9H2,1H3,(H2,18,23,24)"	CC1=C(C=CC(=C1)O)C2=NN(C(=O)CC2)C3=CC=C(C=C3)S(=O)(=O)N	XHOPWRARKOAGEK-UHFFFAOYSA-N
DG69270	((plusmn))-Zanubrutinib	135905454	"BGB-3111; 1633350-06-7; ((plusmn))-Zanubrutinib; ( inverted exclamation markA)-Zanubrutinib; ( inverted exclamation markA)-BGB-3111; BGB3111; 2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide; Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 4,5,6,7-tetrahydro-7-[1-(1-oxo-2-propen-1-yl)-4-piperidinyl]-2-(4-phenoxyphenyl)-; CHEMBL3973435; SCHEMBL16208602; SCHEMBL19742851; BDBM249900; BCP25045; BCP25838; EX-A2909; NSC799318; CS-6366; NSC-799318; SB18877; HY-101474; E77318; US9447106, 27; BGB-3111;  ( inverted exclamation markA)-Zanubrutinib"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799318	.	.	.	.	471.5	C27H29N5O3	103	756	3.5	35	2	5	6	"InChI=1S/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)"	C=CC(=O)N1CCC(CC1)C2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N	RNOAOAWBMHREKO-UHFFFAOYSA-N
DG69271	Unii-59784ZX4GD	135905473	"BAY1082439; UNII-59784ZX4GD; 59784ZX4GD; BAY-1082439; 1375469-38-7; N-(8-(((2R)-2-Hydroxy-3-(morpholin-4-yl)propyl)oxy)-7-methoxy-2,3-dihydroimidazo(1,2-C)quinazolin-5-yl)-2-methylpyridine-3-carboxamide; N-[8-[[(2R)-2-hydroxy-3-(morpholin-4-yl)propyl]oxy]-7-methoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-2-methylpyridine-3-carboxamide; SCHEMBL6734739; CHEMBL3644672; SCHEMBL17735974; BDBM139752; EX-A1188; NSC794590; BAY-1082439 [WHO-SDG]; NSC-794590; HY-100886; CS-0020548; US8895549, 14; (R)-N-(8-(2-Hydroxy-3-morpholinopropoxy)-7-methoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-2-methylnicotinamide; 3-Pyridinecarboxamide, N-(2,3-dihydro-8-((2R)-2-hydroxy-3-(4-morpholinyl)propoxy)-7-methoxyimidazo(1,2-C)quinazolin-5-yl)-2-methyl-; N-[8-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-2-methylpyridine-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794590	.	.	.	.	494.5	C25H30N6O5	121	1010	0.8	36	2	8	7	"InChI=1S/C25H30N6O5/c1-16-18(4-3-7-26-16)24(33)29-25-28-21-19(23-27-8-9-31(23)25)5-6-20(22(21)34-2)36-15-17(32)14-30-10-12-35-13-11-30/h3-7,17,27,32H,8-15H2,1-2H3/t17-/m1/s1"	CC1=C(C=CC=N1)C(=O)N=C2N=C3C(=C4N2CCN4)C=CC(=C3OC)OC[C@@H](CN5CCOCC5)O	QJTLLKKDFGPDPF-QGZVFWFLSA-N
DG69272	"1-[5-(4-Hydroxy-3-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	135908147	CHEMBL1224580; NSC745492; NSC-745492	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745492	.	.	.	.	400.4	C21H24N2O6	89.8	586	2.2	29	1	7	6	"InChI=1S/C21H24N2O6/c1-12(24)23-16(14-9-19(27-3)21(29-5)20(10-14)28-4)11-15(22-23)13-6-7-17(25)18(8-13)26-2/h6-10,16,25H,11H2,1-5H3"	CC(=O)N1C(CC(=N1)C2=CC(=C(C=C2)O)OC)C3=CC(=C(C(=C3)OC)OC)OC	OLGQAEJKONXUAZ-UHFFFAOYSA-N
DG69273	"3-(3-nitroso-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-ol"	135911866	CHEMBL1082552; SCHEMBL22300877; NSC745929; NSC-745929	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745929	.	.	.	.	278.26	C15H10N4O2	94.1	407	2.5	21	3	4	1	"InChI=1S/C15H10N4O2/c20-15-11(9-5-3-7-16-14(9)18-15)13-12(19-21)8-4-1-2-6-10(8)17-13/h1-7,17,20H,(H,16,18)"	C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=CC=N4)O)N=O	WJEDGNYIXKFWLW-UHFFFAOYSA-N
DG69274	Alimta	135916113	"pemetrexed(2-); Alimta; pemetrexed dianion; 357166-30-4; CHEBI:63724; NSC755384; NSC-755384; NCGC00166414-01; NCGC00166414-02; NCGC00166414-03; NCGC00242494-01; AB01562976_01; AB01562976_02; Q27132758; (2S)-2-({4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)pentanedioate; N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755384	.	.	.	.	425.4	C20H19N5O6-2	193	737	1.5	31	4	7	7	"InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/p-2/t13-/m0/s1"	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	WBXPDJSOTKVWSJ-ZDUSSCGKSA-L
DG69275	NSC746822	135932478	"6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxo-N-phenylhexanamide;hydrochloride; NSC746822; NSC-746822"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746822	.	.	.	.	507	C28H31ClN4O3	99.3	858	.	36	4	4	10	"InChI=1S/C28H30N4O3.ClH/c1-18-22(16-24-26(35-3)17-23(32-24)21-12-9-15-29-21)30-19(2)28(18)25(33)13-7-8-14-27(34)31-20-10-5-4-6-11-20;/h4-6,9-12,15-17,29-30H,7-8,13-14H2,1-3H3,(H,31,34);1H/b24-16-;"	CC1=C(NC(=C1C(=O)CCCCC(=O)NC2=CC=CC=C2)C)/C=C\\3/C(=CC(=N3)C4=CC=CN4)OC.Cl	YJYCYYCUKHKZEO-PNNXLEGYSA-N
DG69276	"8-(4-Amino-1-methylbutyl)amino-2-methyl-5, 2.3-hydrobromide, 0.8 hydrate"	135958398	"NSC742256; NSC-742256; 8-(4-Amino-1-methylbutyl)amino-2-methyl-5, 2.3-hydrobromide, 0.8 hydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742256	.	.	.	.	356.26	C15H22BrN3O2	91.4	303	.	21	5	5	5	"InChI=1S/C15H21N3O2.BrH/c1-9(4-3-7-16)17-12-8-13(19)15(20)11-6-5-10(2)18-14(11)12;/h5-6,8-9,17,19-20H,3-4,7,16H2,1-2H3;1H"	CC1=NC2=C(C=C1)C(=C(C=C2NC(C)CCCN)O)O.Br	QQPCCNVXGMQMER-UHFFFAOYSA-N
DG69277	"6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-3H-quinazolin-4-one"	135958473	NSC745414; NSC-745414	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745414	.	.	.	.	326.3	C18H18N2O4	69.2	474	2.2	24	1	5	5	"InChI=1S/C18H18N2O4/c1-22-12-6-4-11(5-7-12)8-17-19-14-10-16(24-3)15(23-2)9-13(14)18(21)20-17/h4-7,9-10H,8H2,1-3H3,(H,19,20,21)"	COC1=CC=C(C=C1)CC2=NC3=CC(=C(C=C3C(=O)N2)OC)OC	YKWALTHRJTVQQM-UHFFFAOYSA-N
DG69278	"4-(7-(benzylamino)-5-(4-hydroxyphenyl)-4-oxo-3,5-d]pyrimidin-2-ylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide"	135958480	"NSC745476; NSC-745476; 4-(7-(benzylamino)-5-(4-hydroxyphenyl)-4-oxo-3,5-d]pyrimidin-2-ylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745476	.	.	.	.	621.7	C31H27N9O4S	192	1120	3.7	45	5	11	9	"InChI=1S/C31H27N9O4S/c1-18-16-19(2)34-31(33-18)40-45(43,44)24-14-10-22(11-15-24)35-30-38-27-25(28(42)39-30)26(21-8-12-23(41)13-9-21)36-29(37-27)32-17-20-6-4-3-5-7-20/h3-16,41H,17H2,1-2H3,(H,33,34,40)(H3,32,35,36,37,38,39,42)"	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC4=NC(=NC(=C4C(=O)N3)C5=CC=C(C=C5)O)NCC6=CC=CC=C6)C	WVSGVGVNAQHUJQ-UHFFFAOYSA-N
DG69279	"1-[2-[(2-Hydroxyphenyl)methylideneamino]ethylamino]anthracene-9,10-dione"	135958487	NSC745500; NSC-745500	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745500	.	.	.	.	370.4	C23H18N2O3	78.8	605	4.3	28	2	5	5	"InChI=1S/C23H18N2O3/c26-20-11-4-1-6-15(20)14-24-12-13-25-19-10-5-9-18-21(19)23(28)17-8-3-2-7-16(17)22(18)27/h1-11,14,25-26H,12-13H2"	C1=CC=C(C(=C1)C=NCCNC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)O	DFCMWYCTOPERLY-UHFFFAOYSA-N
DG69280	"1,8-Bis[2-(2-hydroxybenzylideneamino)ethylamino]-9,10-anthraquinone"	135958488	"NSC745501; NSC-745501; 1,8-Bis[2-(2-hydroxybenzylideneamino)ethylamino]-9,10-anthraquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745501	.	.	.	.	532.6	C32H28N4O4	123	841	5.2	40	4	8	10	"InChI=1S/C32H28N4O4/c37-27-13-3-1-7-21(27)19-33-15-17-35-25-11-5-9-23-29(25)32(40)30-24(31(23)39)10-6-12-26(30)36-18-16-34-20-22-8-2-4-14-28(22)38/h1-14,19-20,35-38H,15-18H2"	C1=CC=C(C(=C1)C=NCCNC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4NCCN=CC5=CC=CC=C5O)O	USWSPLQZEDRNJQ-UHFFFAOYSA-N
DG69281	"N'-(2,3-dimethyl-4H-furo[3,2-b]pyrrole-6-carbohydrazide"	135958493	"NSC745543; NSC-745543; N'-(2,3-dimethyl-4H-furo[3,2-b]pyrrole-6-carbohydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	745543	.	.	.	.	313.31	C16H15N3O4	111	472	2.2	23	4	5	3	"InChI=1S/C16H15N3O4/c1-8-9(2)23-15-12(7-17-14(8)15)16(22)19-18-6-10-3-4-11(20)5-13(10)21/h3-7,17,20-21H,1-2H3,(H,19,22)/b18-6-"	CC1=C(OC2=C1NC=C2C(=O)N/N=C\\C3=C(C=C(C=C3)O)O)C	QTISQRJHYIWSRO-FXBPXSCXSA-N
DG69282	"4-[C-(4-hydroxyphenyl)-N-(5-methyl-2,4-dinitroanilino)carbonimidoyl]phenol"	135958516	NSC746310; NSC-746310	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746310	.	.	.	.	408.4	C20H16N4O6	157	608	5.3	30	3	8	4	"InChI=1S/C20H16N4O6/c1-12-10-17(19(24(29)30)11-18(12)23(27)28)21-22-20(13-2-6-15(25)7-3-13)14-4-8-16(26)9-5-14/h2-11,21,25-26H,1H3"	CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O	CXQDOHAWNAQZAU-UHFFFAOYSA-N
DG69283	"4-[N-(2,4-dinitro-5-pyrrolidin-1-ylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol"	135958517	NSC746312; NSC-746312	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746312	.	.	.	.	463.4	C23H21N5O6	160	709	5.5	34	3	9	5	"InChI=1S/C23H21N5O6/c29-17-7-3-15(4-8-17)23(16-5-9-18(30)10-6-16)25-24-19-13-21(26-11-1-2-12-26)22(28(33)34)14-20(19)27(31)32/h3-10,13-14,24,29-30H,1-2,11-12H2"	C1CCN(C1)C2=C(C=C(C(=C2)NN=C(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)[N+](=O)[O-])[N+](=O)[O-]	CHJBAQRASCKQQS-UHFFFAOYSA-N
DG69284	"4-[C-(4-hydroxyphenyl)-N-(5-methoxy-2,4-dinitroanilino)carbonimidoyl]phenol"	135958518	NSC746314; NSC-746314	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746314	.	.	.	.	424.4	C20H16N4O7	166	625	4.9	31	3	9	5	"InChI=1S/C20H16N4O7/c1-31-19-10-16(17(23(27)28)11-18(19)24(29)30)21-22-20(12-2-6-14(25)7-3-12)13-4-8-15(26)9-5-13/h2-11,21,25-26H,1H3"	COC1=C(C=C(C(=C1)NN=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)[N+](=O)[O-])[N+](=O)[O-]	PXODVGTXWYAPQO-UHFFFAOYSA-N
DG69285	"6-Methylsulfanyl-10-phenyl-2,5,7,9-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3(8),6,13,15,17-hexaene-4,12-dione"	135958523	NSC746604; NSC-746604	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746604	.	.	.	.	388.4	C21H16N4O2S	108	796	3	28	2	6	2	"InChI=1S/C21H16N4O2S/c1-28-21-24-19-17(20(27)25-21)22-16-12-9-5-6-10-13(12)18(26)14(16)15(23-19)11-7-3-2-4-8-11/h2-10,14-15H,1H3,(H2,23,24,25,27)"	CSC1=NC2=C(C(=O)N1)N=C3C(C(N2)C4=CC=CC=C4)C(=O)C5=CC=CC=C53	GPTJGBNSZLLOCJ-UHFFFAOYSA-N
DG69286	"10-(4-Fluorophenyl)-6-methylsulfanyl-2,5,7,9-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3(8),6,13,15,17-hexaene-4,12-dione"	135958525	NSC746608; NSC-746608	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746608	.	.	.	.	406.4	C21H15FN4O2S	108	831	3.1	29	2	7	2	"InChI=1S/C21H15FN4O2S/c1-29-21-25-19-17(20(28)26-21)23-16-12-4-2-3-5-13(12)18(27)14(16)15(24-19)10-6-8-11(22)9-7-10/h2-9,14-15H,1H3,(H2,24,25,26,28)"	CSC1=NC2=C(C(=O)N1)N=C3C(C(N2)C4=CC=C(C=C4)F)C(=O)C5=CC=CC=C53	VJCSUDIJZWZJPU-UHFFFAOYSA-N
DG69287	NSC746821	135958528	"N-tert-butyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride; NSC746821; NSC-746821"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746821	.	.	.	.	487	C26H35ClN4O3	99.3	824	.	34	4	4	10	"InChI=1S/C26H34N4O3.ClH/c1-16-19(14-21-23(33-6)15-20(29-21)18-10-9-13-27-18)28-17(2)25(16)22(31)11-7-8-12-24(32)30-26(3,4)5;/h9-10,13-15,27-28H,7-8,11-12H2,1-6H3,(H,30,32);1H/b21-14-;"	CC1=C(NC(=C1C(=O)CCCCC(=O)NC(C)(C)C)C)/C=C\\2/C(=CC(=N2)C3=CC=CN3)OC.Cl	DPLHMZMFUDOTRJ-UXTSPRGOSA-N
DG69288	NSC746823	135958530	"N-benzyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride; NSC746823; NSC-746823"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746823	.	.	.	.	521	C29H33ClN4O3	99.3	874	.	37	4	4	11	"InChI=1S/C29H32N4O3.ClH/c1-19-23(16-25-27(36-3)17-24(33-25)22-12-9-15-30-22)32-20(2)29(19)26(34)13-7-8-14-28(35)31-18-21-10-5-4-6-11-21;/h4-6,9-12,15-17,30,32H,7-8,13-14,18H2,1-3H3,(H,31,35);1H/b25-16-;"	CC1=C(NC(=C1C(=O)CCCCC(=O)NCC2=CC=CC=C2)C)/C=C\\3/C(=CC(=N3)C4=CC=CN4)OC.Cl	CGOKCMRZNUGTNJ-KJEABERCSA-N
DG69289	NSC746824	135958532	"N-ethyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride; NSC746824; NSC-746824"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746824	.	.	.	.	459	C24H31ClN4O3	99.3	758	.	32	4	4	10	"InChI=1S/C24H30N4O3.ClH/c1-5-25-23(30)11-7-6-10-21(29)24-15(2)18(27-16(24)3)13-20-22(31-4)14-19(28-20)17-9-8-12-26-17;/h8-9,12-14,26-27H,5-7,10-11H2,1-4H3,(H,25,30);1H/b20-13-;"	CCNC(=O)CCCCC(=O)C1=C(NC(=C1C)/C=C\\2/C(=CC(=N2)C3=CC=CN3)OC)C.Cl	GPKDMHSWICGABC-MASIZSFYSA-N
DG69290	3-(2-Hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)-1-(4-sulfamylphenyl)-2-pyrazoline	135960825	CHEMBL464036; NSC749117; NSC-749117; 3-(2-Hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)-1-(4-sulfamylphenyl)-2-pyrazoline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749117	.	.	.	.	453.5	C23H23N3O5S	123	754	3.2	32	2	8	6	"InChI=1S/C23H23N3O5S/c1-30-17-7-3-15(4-8-17)22-14-21(20-12-9-18(31-2)13-23(20)27)25-26(22)16-5-10-19(11-6-16)32(24,28)29/h3-13,22,27H,14H2,1-2H3,(H2,24,28,29)"	COC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C4=C(C=C(C=C4)OC)O	ODTBHIRKDYMBQQ-UHFFFAOYSA-N
DG69291	NSC719979	135968227	"2',6'-Dibromo-20-hydroxyspiro[2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,19-nonaene-18,4'-cyclohexa-2,5-diene]-1'-one; NSC719979; NSC-719979"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719979	.	.	.	.	523.2	C23H13Br2N3O2	75.4	915	4.6	30	1	5	0	"InChI=1S/C23H13Br2N3O2/c24-13-9-23(10-14(25)21(13)29)6-8-27-20-17(23)22(30)19-16-12(5-7-26-18(16)20)11-3-1-2-4-15(11)28-19/h1-5,7,9-10,30H,6,8H2"	C1CN=C2C(=C(C3=NC4=CC=CC=C4C5=C3C2=NC=C5)O)C16C=C(C(=O)C(=C6)Br)Br	ILLNNPOUNWULRF-UHFFFAOYSA-N
DG69292	"3-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-6-[(E)-2-(furan-2-yl)ethenyl]-4H-1,2,4-triazin-5-one"	135968229	CHEMBL2297189; NSC748494; NSC-748494	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748494	.	.	.	.	380.8	C18H13ClN6O2	111	658	2.9	27	2	6	4	"InChI=1S/C18H13ClN6O2/c19-12-5-3-11(4-6-12)15-10-16(20)25(24-15)18-21-17(26)14(22-23-18)8-7-13-2-1-9-27-13/h1-10H,20H2,(H,21,23,26)/b8-7+"	C1=COC(=C1)/C=C/C2=NN=C(NC2=O)N3C(=CC(=N3)C4=CC=C(C=C4)Cl)N	PJEJGBLYEARDOH-BQYQJAHWSA-N
DG69293	methyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-oxo-1H-quinolin-3-yl)benzimidazole-5-carboxylate	135968230	CHEMBL1822216; NSC751042; NSC-751042	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751042	.	.	.	.	441.5	C25H23N5O3	102	808	4.4	33	2	5	5	"InChI=1S/C25H23N5O3/c1-25(2,3)20-13-21(29-28-20)30-19-10-9-15(24(32)33-4)12-18(19)26-22(30)16-11-14-7-5-6-8-17(14)27-23(16)31/h5-13H,1-4H3,(H,27,31)(H,28,29)"	CC(C)(C)C1=CC(=NN1)N2C3=C(C=C(C=C3)C(=O)OC)N=C2C4=CC5=CC=CC=C5NC4=O	VZXYQDKPWYDWJF-UHFFFAOYSA-N
DG69294	N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide	135968233	CHEMBL2440595; NSC748669; NSC-748669	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748669	.	.	.	.	400.4	C20H15F3N4O2	86.6	572	4.4	29	3	8	5	"InChI=1S/C20H15F3N4O2/c21-20(22,23)18-11-14(9-10-24-18)26-16-7-3-2-6-15(16)19(29)27-25-12-13-5-1-4-8-17(13)28/h1-12,28H,(H,24,26)(H,27,29)/b25-12+"	C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=CC=C2NC3=CC(=NC=C3)C(F)(F)F)O	HYYLWNCCFQMCHI-BRJLIKDPSA-N
DG69295	N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide	135968235	CHEMBL2440594; NSC748671; NSC-748671	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748671	.	.	.	.	444.4	C22H19F3N4O3	95.8	634	4.8	32	3	9	7	"InChI=1S/C22H19F3N4O3/c1-2-32-18-9-5-6-14(20(18)30)13-27-29-21(31)16-7-3-4-8-17(16)28-15-10-11-26-19(12-15)22(23,24)25/h3-13,30H,2H2,1H3,(H,26,28)(H,29,31)/b27-13+"	CCOC1=CC=CC(=C1O)/C=N/NC(=O)C2=CC=CC=C2NC3=CC(=NC=C3)C(F)(F)F	UGVQUYRMKCCKIT-UVHMKAGCSA-N
DG69296	N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide	135968237	CHEMBL2440584; NSC748673; NSC-748673	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748673	.	.	.	.	414.4	C21H17F3N4O2	86.6	579	3.8	30	3	8	6	"InChI=1S/C21H17F3N4O2/c22-21(23,24)19-12-17(9-10-25-19)27-16-7-5-14(6-8-16)11-20(30)28-26-13-15-3-1-2-4-18(15)29/h1-10,12-13,29H,11H2,(H,25,27)(H,28,30)/b26-13+"	C1=CC=C(C(=C1)/C=N/NC(=O)CC2=CC=C(C=C2)NC3=CC(=NC=C3)C(F)(F)F)O	UUNVXQMRDHKZLC-LGJNPRDNSA-N
DG69297	N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide	135968238	CHEMBL2440583; NSC748674; NSC-748674	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748674	.	.	.	.	458.4	C23H21F3N4O3	95.8	641	4.1	33	3	9	8	"InChI=1S/C23H21F3N4O3/c1-2-33-19-5-3-4-16(22(19)32)14-28-30-21(31)12-15-6-8-17(9-7-15)29-18-10-11-27-20(13-18)23(24,25)26/h3-11,13-14,32H,2,12H2,1H3,(H,27,29)(H,30,31)/b28-14+"	CCOC1=CC=CC(=C1O)/C=N/NC(=O)CC2=CC=C(C=C2)NC3=CC(=NC=C3)C(F)(F)F	VKTCJEKRRYZLIO-CCVNUDIWSA-N
DG69298	"1,8-Bis[2-[(2,5-dihydroxyphenyl)methylideneamino]ethylamino]anthracene-9,10-dione"	135968239	NSC747286; NSC-747286	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747286	.	.	.	.	564.6	C32H28N4O6	164	905	4.5	42	6	10	10	"InChI=1S/C32H28N4O6/c37-21-7-9-27(39)19(15-21)17-33-11-13-35-25-5-1-3-23-29(25)32(42)30-24(31(23)41)4-2-6-26(30)36-14-12-34-18-20-16-22(38)8-10-28(20)40/h1-10,15-18,35-40H,11-14H2"	C1=CC2=C(C(=C1)NCCN=CC3=C(C=CC(=C3)O)O)C(=O)C4=C(C2=O)C=CC=C4NCCN=CC5=C(C=CC(=C5)O)O	FAJYNZHLGRRFFS-UHFFFAOYSA-N
DG69299	3-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyphenyl)-1-(4-sulfamylphenyl)-2-pyrazoline	135968246	CHEMBL1914978; NSC750146; NSC-750146; 3-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyphenyl)-1-(4-sulfamylphenyl)-2-pyrazoline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750146	.	.	.	.	457.9	C22H20ClN3O4S	125	765	3.9	31	3	7	4	"InChI=1S/C22H20ClN3O4S/c1-13-10-22(28)17(11-18(13)23)19-12-20(16-4-2-3-5-21(16)27)26(25-19)14-6-8-15(9-7-14)31(24,29)30/h2-11,20,27-28H,12H2,1H3,(H2,24,29,30)"	CC1=CC(=C(C=C1Cl)C2=NN(C(C2)C3=CC=CC=C3O)C4=CC=C(C=C4)S(=O)(=O)N)O	ORIVTYHQODIOFJ-UHFFFAOYSA-N
DG69300	3-(2-Hydroxy-5-chloro-4-methylphenyl)-5-(2-phenylethene)-1-(4-sulfamylphenyl)-pyrazoline	135968248	CHEMBL1914981; NSC750148; NSC-750148; 3-(2-Hydroxy-5-chloro-4-methylphenyl)-5-(2-phenylethene)-1-(4-sulfamylphenyl)-pyrazoline	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750148	.	.	.	.	468	C24H22ClN3O3S	104	798	4.9	32	2	6	5	"InChI=1S/C24H22ClN3O3S/c1-16-13-24(29)21(15-22(16)25)23-14-19(8-7-17-5-3-2-4-6-17)28(27-23)18-9-11-20(12-10-18)32(26,30)31/h2-13,15,19,29H,14H2,1H3,(H2,26,30,31)/b8-7+"	CC1=CC(=C(C=C1Cl)C2=NN(C(C2)/C=C/C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)N)O	DALKXKJBXZFJQV-BQYQJAHWSA-N
DG69301	"1,8-Bis[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethylamino]anthracene-9,10-dione"	135968249	NSC747287; NSC-747287	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747287	.	.	.	.	622.6	C32H26N6O8	215	1070	4.9	46	4	12	10	"InChI=1S/C32H26N6O8/c39-27-9-7-21(37(43)44)15-19(27)17-33-11-13-35-25-5-1-3-23-29(25)32(42)30-24(31(23)41)4-2-6-26(30)36-14-12-34-18-20-16-22(38(45)46)8-10-28(20)40/h1-10,15-18,35-36,39-40H,11-14H2"	C1=CC2=C(C(=C1)NCCN=CC3=C(C=CC(=C3)[N+](=O)[O-])O)C(=O)C4=C(C2=O)C=CC=C4NCCN=CC5=C(C=CC(=C5)[N+](=O)[O-])O	YGJUYOPDHQOVNW-UHFFFAOYSA-N
DG69302	2-[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-5-yl]-3-(1H-pyrrol-2-yl)acrylonitrile	135968258	NSC749220; NSC-749220; 2-[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-5-yl]-3-(1H-pyrrol-2-yl)acrylonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	749220	.	.	.	.	370.8	C22H15ClN4	57.4	568	4.8	27	1	2	4	"InChI=1S/C22H15ClN4/c23-18-10-8-16(9-11-18)21-14-22(17(15-24)13-19-5-4-12-25-19)27(26-21)20-6-2-1-3-7-20/h1-14,25H/b17-13+"	C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)/C(=C/C4=CC=CN4)/C#N	FEOUVUKHTREKFD-GHRIWEEISA-N
DG69303	"N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	135968269	CHEMBL2440590; NSC748262; NSC-748262	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748262	.	.	.	.	416.4	C20H15F3N4O3	107	604	3.5	30	4	9	5	"InChI=1S/C20H15F3N4O3/c21-20(22,23)18-9-15(6-7-24-18)26-14-3-1-2-12(8-14)19(30)27-25-11-13-4-5-16(28)10-17(13)29/h1-11,28-29H,(H,24,26)(H,27,30)/b25-11+"	C1=CC(=CC(=C1)NC2=CC(=NC=C2)C(F)(F)F)C(=O)N/N=C/C3=C(C=C(C=C3)O)O	QKXGFHVVMOJLKW-OPEKNORGSA-N
DG69304	N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide	135968270	CHEMBL2440591; NSC748263; NSC-748263	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748263	.	.	.	.	444.4	C22H19F3N4O3	95.8	634	4.2	32	3	9	7	"InChI=1S/C22H19F3N4O3/c1-2-32-18-8-4-6-15(20(18)30)13-27-29-21(31)14-5-3-7-16(11-14)28-17-9-10-26-19(12-17)22(23,24)25/h3-13,30H,2H2,1H3,(H,26,28)(H,29,31)/b27-13+"	CCOC1=CC=CC(=C1O)/C=N/NC(=O)C2=CC(=CC=C2)NC3=CC(=NC=C3)C(F)(F)F	XRBWFXBPHGRTHK-UVHMKAGCSA-N
DG69305	"N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxy-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	135968271	CHEMBL2440588; NSC748264; NSC-748264	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748264	.	.	.	.	446.4	C21H17F3N4O4	116	651	3.5	32	4	10	6	"InChI=1S/C21H17F3N4O4/c1-32-18-5-3-12(20(31)28-26-11-13-2-4-15(29)10-17(13)30)8-16(18)27-14-6-7-25-19(9-14)21(22,23)24/h2-11,29-30H,1H3,(H,25,27)(H,28,31)/b26-11+"	COC1=C(C=C(C=C1)C(=O)N/N=C/C2=C(C=C(C=C2)O)O)NC3=CC(=NC=C3)C(F)(F)F	XEOTYKXIKLPAEO-KBKYJPHKSA-N
DG69306	N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide	135968272	CHEMBL2440593; NSC747458; NSC-747458	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747458	.	.	.	.	471.5	C24H24F3N5O2	89.8	674	5.3	34	3	9	8	"InChI=1S/C24H24F3N5O2/c1-3-32(4-2)18-10-9-16(21(33)14-18)15-29-31-23(34)19-7-5-6-8-20(19)30-17-11-12-28-22(13-17)24(25,26)27/h5-15,33H,3-4H2,1-2H3,(H,28,30)(H,31,34)/b29-15+"	CCN(CC)C1=CC(=C(C=C1)/C=N/NC(=O)C2=CC=CC=C2NC3=CC(=NC=C3)C(F)(F)F)O	ZQDTXQOYYYIOBK-WKULSOCRSA-N
DG69307	N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide	135968273	CHEMBL2440592; NSC747459; NSC-747459	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747459	.	.	.	.	434.8	C20H14ClF3N4O2	86.6	607	5	30	3	8	5	"InChI=1S/C20H14ClF3N4O2/c21-13-5-6-17(29)12(9-13)11-26-28-19(30)15-3-1-2-4-16(15)27-14-7-8-25-18(10-14)20(22,23)24/h1-11,29H,(H,25,27)(H,28,30)/b26-11+"	C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C=CC(=C2)Cl)O)NC3=CC(=NC=C3)C(F)(F)F	UGTWNAOSQWGNEE-KBKYJPHKSA-N
DG69308	N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide	135968274	CHEMBL2440585; NSC747460; NSC-747460	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747460	.	.	.	.	471.5	C24H24F3N5O2	89.8	666	4.7	34	3	9	8	"InChI=1S/C24H24F3N5O2/c1-3-32(4-2)20-10-7-17(21(33)14-20)15-29-31-23(34)16-5-8-18(9-6-16)30-19-11-12-28-22(13-19)24(25,26)27/h5-15,33H,3-4H2,1-2H3,(H,28,30)(H,31,34)/b29-15+"	CCN(CC)C1=CC(=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)NC3=CC(=NC=C3)C(F)(F)F)O	ROWXQQHVEFYQOE-WKULSOCRSA-N
DG69309	"N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	135968275	CHEMBL2440586; NSC747461; NSC-747461	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747461	.	.	.	.	416.4	C20H15F3N4O3	107	596	3.5	30	4	9	5	"InChI=1S/C20H15F3N4O3/c21-20(22,23)18-9-15(7-8-24-18)26-14-4-1-12(2-5-14)19(30)27-25-11-13-3-6-16(28)10-17(13)29/h1-11,28-29H,(H,24,26)(H,27,30)/b25-11+"	C1=CC(=CC=C1C(=O)N/N=C/C2=C(C=C(C=C2)O)O)NC3=CC(=NC=C3)C(F)(F)F	IZPIBPHWGNEGEW-OPEKNORGSA-N
DG69310	N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide	135968276	NSC747457; NSC-747457	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747457	.	.	.	.	471.5	C24H24F3N5O2	89.8	674	4.7	34	3	9	8	"InChI=1S/C24H24F3N5O2/c1-3-32(4-2)20-9-8-17(21(33)14-20)15-29-31-23(34)16-6-5-7-18(12-16)30-19-10-11-28-22(13-19)24(25,26)27/h5-15,33H,3-4H2,1-2H3,(H,28,30)(H,31,34)/b29-15-"	CCN(CC)C1=CC(=C(C=C1)/C=N\\NC(=O)C2=CC(=CC=C2)NC3=CC(=NC=C3)C(F)(F)F)O	NQQWKMSKCBBMGF-FDVSRXAVSA-N
DG69311	N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide	135968280	CHEMBL2440582; NSC748265; NSC-748265	.	.	Investigative Drug(s)	Investigative	Small molecular drug	748265	.	.	.	.	485.5	C25H26F3N5O2	89.8	681	4.7	35	3	9	9	"InChI=1S/C25H26F3N5O2/c1-3-33(4-2)21-10-7-18(22(34)15-21)16-30-32-24(35)13-17-5-8-19(9-6-17)31-20-11-12-29-23(14-20)25(26,27)28/h5-12,14-16,34H,3-4,13H2,1-2H3,(H,29,31)(H,32,35)/b30-16+"	CCN(CC)C1=CC(=C(C=C1)/C=N/NC(=O)CC2=CC=C(C=C2)NC3=CC(=NC=C3)C(F)(F)F)O	PBEZEHVFTUEBTH-OKCVXOCRSA-N
DG69312	"8-Ethoxy-4-hydroxy-1-oxo-6-phenyl-1,7]naphthyridine-3-carboxylic acid (2,4-dihydroxy-benzylidene)-hydrazide"	135968282	"NSC747284; NSC-747284; 8-Ethoxy-4-hydroxy-1-oxo-6-phenyl-1,7]naphthyridine-3-carboxylic acid (2,4-dihydroxy-benzylidene)-hydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	747284	.	.	.	.	460.4	C24H20N4O6	153	811	2.9	34	5	8	6	"InChI=1S/C24H20N4O6/c1-2-34-24-19-16(11-17(26-24)13-6-4-3-5-7-13)21(31)20(27-22(19)32)23(33)28-25-12-14-8-9-15(29)10-18(14)30/h3-12,29-31H,2H2,1H3,(H,27,32)(H,28,33)/b25-12+"	CCOC1=C2C(=CC(=N1)C3=CC=CC=C3)C(=C(NC2=O)C(=O)N/N=C/C4=C(C=C(C=C4)O)O)O	ZHRXTCAIJBZJSK-BRJLIKDPSA-N
DG69313	"[6-(4-Chlorophenyl)imidazo[2,1-b]thiazol-3-yl]acetic acid 2-hydroxybenzylidenehydrazide"	135968290	"NSC750859; NSC-750859; [6-(4-chlorophenyl)imidazo[2,1-b]thiazol-3-yl]acetic acid 2-hydroxybenzylidenehydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750859	.	.	.	.	410.9	C20H15ClN4O2S	107	572	4.7	28	2	5	5	"InChI=1S/C20H15ClN4O2S/c21-15-7-5-13(6-8-15)17-11-25-16(12-28-20(25)23-17)9-19(27)24-22-10-14-3-1-2-4-18(14)26/h1-8,10-12,26H,9H2,(H,24,27)/b22-10+"	C1=CC=C(C(=C1)/C=N/NC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Cl)O	QEQZJQMQDJMGEP-LSHDLFTRSA-N
DG69314	AG-2037; AG 2037; AG2037	135992026	BCP27922; NSC772290; NSC772291; NSC-772290; NSC-772291; AG-2037; AG 2037; AG2037	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772290	.	.	.	.	463.5	C20H25N5O6S	211	859	0.7	32	6	9	9	"InChI=1S/C20H25N5O6S/c1-9-6-14(18(29)23-12(19(30)31)3-5-15(26)27)32-13(9)4-2-10-7-11-16(22-8-10)24-20(21)25-17(11)28/h6,10,12H,2-5,7-8H2,1H3,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)"	CC1=C(SC(=C1)C(=O)NC(CCC(=O)O)C(=O)O)CCC2CC3=C(NC2)N=C(NC3=O)N	QXOPTIPQEVJERB-UHFFFAOYSA-N
DG69315	"2-(benzylamino)-5-(Z)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methylidene-4,5-dihydro-1,3-thiazol-4-one"	136040088	"NSC751418; NSC-751418; 2-(benzylamino)-5-(Z)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methylidene-4,5-dihydro-1,3-thiazol-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751418	.	.	.	.	440.5	C25H20N4O2S	93.3	728	5.6	32	1	5	5	"InChI=1S/C25H20N4O2S/c1-31-19-12-10-18(11-13-19)23-27-20(21-9-5-6-14-29(21)23)15-22-24(30)28-25(32-22)26-16-17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,26,28,30)/b22-15-"	COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)/C=C\\4/C(=O)NC(=NCC5=CC=CC=C5)S4	ACLQNCHTMLETHD-JCMHNJIXSA-N
DG69316	3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-cyclohepta[b]pyrrol-2-one	136040109	ITRI 260; SCHEMBL13042381; NSC751775; NSC761879; NSC-751775; NSC-761879; 1253836-17-7	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761879	.	.	.	.	359.4	C21H21N5O	64.3	744	2.2	27	2	4	2	"InChI=1S/C21H21N5O/c1-25-9-11-26(12-10-25)14-7-8-17-18(13-14)23-20(22-17)19-15-5-3-2-4-6-16(15)24-21(19)27/h2-8,13H,9-12H2,1H3,(H,22,23)(H,24,27)"	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C5C=CC=CC=C5NC4=O	RVWJTUZNUGTTEB-UHFFFAOYSA-N
DG69317	N-[3-[6-amino-5-cyano-4-(2-hydroxy-3-methoxyphenyl)pyridin-2-yl]phenyl]methanesulfonamide	136040123	CHEMBL2336001; BDBM50490761; NSC752346; NSC-752346	.	.	Investigative Drug(s)	Investigative	Small molecular drug	752346	.	.	.	.	410.4	C20H18N4O4S	147	703	2.6	29	3	8	5	"InChI=1S/C20H18N4O4S/c1-28-18-8-4-7-14(19(18)25)15-10-17(23-20(22)16(15)11-21)12-5-3-6-13(9-12)24-29(2,26)27/h3-10,24-25H,1-2H3,(H2,22,23)"	COC1=CC=CC(=C1O)C2=CC(=NC(=C2C#N)N)C3=CC(=CC=C3)NS(=O)(=O)C	JXCVWNMMMPFAFY-UHFFFAOYSA-N
DG69318	"2-[(E)-[[1-(4-chlorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]phenol"	136040127	NSC753018; NSC-753018	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753018	.	.	.	.	378.8	C19H15ClN6O	88.2	514	4.5	27	2	6	4	"InChI=1S/C19H15ClN6O/c1-12-17-18(24-23-10-13-4-2-3-5-16(13)27)21-11-22-19(17)26(25-12)15-8-6-14(20)7-9-15/h2-11,27H,1H3,(H,21,22,24)/b23-10+"	CC1=NN(C2=NC=NC(=C12)N/N=C/C3=CC=CC=C3O)C4=CC=C(C=C4)Cl	NYGLIEONIATARD-AUEPDCJTSA-N
DG69319	[(E)-1-(5-chloro-1H-benzimidazol-2-yl)ethylideneamino]thiourea	136040128	CHEMBL4741287; NSC753139; NSC-753139; benzimidazol -thiosemicarbazone derivative; [(E)-1-(5-chloro-1H-benzimidazol-2-yl)ethylideneamino]thiourea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753139	.	.	.	.	267.74	C10H10ClN5S	111	335	1.9	17	3	3	2	"InChI=1S/C10H10ClN5S/c1-5(15-16-10(12)17)9-13-7-3-2-6(11)4-8(7)14-9/h2-4H,1H3,(H,13,14)(H3,12,16,17)/b15-5+"	C/C(=N\\NC(=S)N)/C1=NC2=C(N1)C=C(C=C2)Cl	HYDYLXXLOQIZEL-PJQLUOCWSA-N
DG69320	Benzimidazole thiosemicarbazone derivative	136040129	NSC753140; NSC-753140; benzimidazole thiosemicarbazone derivative	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753140	.	.	.	.	343.8	C16H14ClN5S	97.2	452	3.9	23	3	3	3	"InChI=1S/C16H14ClN5S/c1-10(15-19-13-8-7-11(17)9-14(13)20-15)21-22-16(23)18-12-5-3-2-4-6-12/h2-9H,1H3,(H,19,20)(H2,18,22,23)/b21-10-"	C/C(=N/NC(=S)NC1=CC=CC=C1)/C2=NC3=C(N2)C=C(C=C3)Cl	JHYAWTAJVUIOAY-FBHDLOMBSA-N
DG69321	"3-[3-(5-methoxy-1H-indol-3-yl)-2H-1,4-thiazin-5-yl]-1H-pyrrolo[2,3-b]pyridine"	136040141	"NSC753369; NSC-753369; 3-[2-(5-Methoxy-1H-indole-3-yl)thiazole-4-yl]-1H-pyrrolo[2,3-b]pyridine; 3-[3-(5-methoxy-1H-indol-3-yl)-2H-1,4-thiazin-5-yl]-1H-pyrrolo[2,3-b]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753369	.	.	.	.	346.4	C19H14N4OS	94.8	480	3.8	25	2	4	3	"InChI=1S/C19H14N4OS/c1-24-11-4-5-16-13(7-11)15(9-21-16)19-23-17(10-25-19)14-8-22-18-12(14)3-2-6-20-18/h2-10,21H,1H3,(H,20,22)"	COC1=CC2=C(C=C1)NC=C2C3=NC(=CS3)C4=CNC5=C4C=CC=N5	WHBGXCMBEUXTCX-UHFFFAOYSA-N
DG69322	"3-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrrolo[2,3-b]pyridine"	136040144	"CHEMBL2435287; BDBM50441366; NSC753378; NSC-753378; 3-[2-(1H-Indole-3-yl)thiazole-4-yl]-1-methyl-1H-pyrrolo[2,3-b]pyridine; 3-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrrolo[2,3-b]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753378	.	.	.	.	330.4	C19H14N4S	74.7	461	3.7	24	1	3	2	"InChI=1S/C19H14N4S/c1-23-10-15(13-6-4-8-20-18(13)23)17-11-24-19(22-17)14-9-21-16-7-3-2-5-12(14)16/h2-11,21H,1H3"	CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CNC5=CC=CC=C54	ZQQZYLUGLLIIFA-UHFFFAOYSA-N
DG69323	"3-[2-(5-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine"	136040147	"NSC753389; NSC-753389; 3-[2-(5-Methyl-1H-indole-3-yl)thiazole-4-yl]-1H-pyrrolo[2,3-b]pyridine; 3-[2-(5-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753389	.	.	.	.	330.4	C19H14N4S	85.6	461	4.2	24	2	3	2	"InChI=1S/C19H14N4S/c1-11-4-5-16-13(7-11)15(9-21-16)19-23-17(10-24-19)14-8-22-18-12(14)3-2-6-20-18/h2-10,21H,1H3,(H,20,22)"	CC1=CC2=C(C=C1)NC=C2C3=NC(=CS3)C4=CNC5=C4C=CC=N5	IDHALOVERFPNFI-UHFFFAOYSA-N
DG69324	"3-[2-(5-fluoro-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrrolo[2,3-b]pyridine"	136040150	"CHEMBL2435285; NSC753394; NSC-753394; 3-[2-(5-fluoro-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrrolo[2,3-b]pyridine; 3-[2-(5-Fluoro-1H-indole-3-yl)thiazole-4-yl]-1-methyl-1H-pyrrolo[2,3-b]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753394	.	.	.	.	348.4	C19H13FN4S	74.7	494	3.8	25	1	4	2	"InChI=1S/C19H13FN4S/c1-24-9-15(12-3-2-6-21-18(12)24)17-10-25-19(23-17)14-8-22-16-5-4-11(20)7-13(14)16/h2-10,22H,1H3"	CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)F	XNWCQOHZTRFUBF-UHFFFAOYSA-N
DG69325	Methyl ester prodigiosene	136040158	methyl ester prodigiosene; NSC753661; NSC-753661	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753661	.	.	.	.	361.8	C18H20ClN3O3	79.5	596	.	25	3	4	5	"InChI=1S/C18H19N3O3.ClH/c1-10-13(20-11(2)17(10)18(22)24-4)8-15-16(23-3)9-14(21-15)12-6-5-7-19-12;/h5-9,19-20H,1-4H3;1H/b15-8-;"	CC1=C(NC(=C1C(=O)OC)C)/C=C\\2/C(=CC(=N2)C3=CC=CN3)OC.Cl	LJLCDJJUJPXYMF-ZTXYIFKNSA-N
DG69326	"propan-2-yl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride"	136040160	NSC753662; NSC-753662	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753662	.	.	.	.	389.9	C20H24ClN3O3	79.5	638	.	27	3	4	6	"InChI=1S/C20H23N3O3.ClH/c1-11(2)26-20(24)19-12(3)15(22-13(19)4)9-17-18(25-5)10-16(23-17)14-7-6-8-21-14;/h6-11,21-22H,1-5H3;1H/b17-9-;"	CC1=C(NC(=C1C(=O)OC(C)C)C)/C=C\\2/C(=CC(=N2)C3=CC=CN3)OC.Cl	UPCAIKXYYKGYLJ-WPTDRQDKSA-N
DG69327	"butyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride"	136040162	NSC753663; NSC-753663	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753663	.	.	.	.	403.9	C21H26ClN3O3	79.5	641	.	28	3	4	8	"InChI=1S/C21H25N3O3.ClH/c1-5-6-10-27-21(25)20-13(2)16(23-14(20)3)11-18-19(26-4)12-17(24-18)15-8-7-9-22-15;/h7-9,11-12,22-23H,5-6,10H2,1-4H3;1H/b18-11-;"	CCCCOC(=O)C1=C(NC(=C1C)/C=C\\2/C(=CC(=N2)C3=CC=CN3)OC)C.Cl	LPZQKQWOQBJDOF-VVTVMFAVSA-N
DG69328	"octyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride"	136040164	NSC753664; NSC-753664	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753664	.	.	.	.	460	C25H34ClN3O3	79.5	700	.	32	3	4	12	"InChI=1S/C25H33N3O3.ClH/c1-5-6-7-8-9-10-14-31-25(29)24-17(2)20(27-18(24)3)15-22-23(30-4)16-21(28-22)19-12-11-13-26-19;/h11-13,15-16,26-27H,5-10,14H2,1-4H3;1H/b22-15-;"	CCCCCCCCOC(=O)C1=C(NC(=C1C)/C=C\\2/C(=CC(=N2)C3=CC=CN3)OC)C.Cl	WXICJNNYNGCHPJ-YNYSCKANSA-N
DG69329	"benzyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride"	136040166	NSC753665; NSC-753665	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753665	.	.	.	.	437.9	C24H24ClN3O3	79.5	723	.	31	3	4	7	"InChI=1S/C24H23N3O3.ClH/c1-15-19(12-21-22(29-3)13-20(27-21)18-10-7-11-25-18)26-16(2)23(15)24(28)30-14-17-8-5-4-6-9-17;/h4-13,25-26H,14H2,1-3H3;1H/b21-12-;"	CC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)C)/C=C\\3/C(=CC(=N3)C4=CC=CN4)OC.Cl	YRSPFSKBUWFBBW-SDKPGJOKSA-N
DG69330	"phenyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride"	136040168	NSC753666; NSC-753666	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753666	.	.	.	.	423.9	C23H22ClN3O3	79.5	708	.	30	3	4	6	"InChI=1S/C23H21N3O3.ClH/c1-14-18(12-20-21(28-3)13-19(26-20)17-10-7-11-24-17)25-15(2)22(14)23(27)29-16-8-5-4-6-9-16;/h4-13,24-25H,1-3H3;1H/b20-12-;"	CC1=C(NC(=C1C(=O)OC2=CC=CC=C2)C)/C=C\\3/C(=CC(=N3)C4=CC=CN4)OC.Cl	IFBGRJRYJDVQLD-GRWWMUSUSA-N
DG69331	"6-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-diphenylthieno[2,3-c]pyridazin-5-ol"	136040172	NSC753725; NSC-753725	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753725	.	.	.	.	482.9	C26H15ClN4O2S	113	679	5.9	34	1	7	4	"InChI=1S/C26H15ClN4O2S/c27-18-14-8-7-13-17(18)24-29-30-25(33-24)23-22(32)20-19(15-9-3-1-4-10-15)21(28-31-26(20)34-23)16-11-5-2-6-12-16/h1-14,32H"	C1=CC=C(C=C1)C2=C3C(=C(SC3=NN=C2C4=CC=CC=C4)C5=NN=C(O5)C6=CC=CC=C6Cl)O	VHEFWFFDYKUBKM-UHFFFAOYSA-N
DG69332	NSC753939	136040182	"2,7-bis(5-(4-methylpiperazin-1-yl)pentyl)-4,9-bis(5-(4-methylpiperazin-1-yl)pentylamino)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone diformate; NSC753939; NSC-753939; 2,7-bis(5-(4-methylpiperazin-1-yl)pentyl)-4,9-bis(5-(4-methylpiperazin-1-yl)pentylamino)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone diformate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	753939	.	.	.	.	1015.4	C55H90N12O6	166	2020	.	73	3	16	25	"InChI=1S/C54H88N12O4.CH2O2/c1-57-25-33-61(34-26-57)19-11-5-9-17-55-45-41-43-48-47-44(52(68)65(53(69)49(45)47)23-15-7-13-21-63-37-29-59(3)30-38-63)42-46(56-18-10-6-12-20-62-35-27-58(2)28-36-62)50(48)54(70)66(51(43)67)24-16-8-14-22-64-39-31-60(4)32-40-64;2-1-3/h41-42,55,67H,5-40H2,1-4H3;1H,(H,2,3)"	CN1CCN(CC1)CCCCCNC2=CC3=C(N(C(=O)C4=C3C5=C2C(=O)N(C(=O)C5=CC4=NCCCCCN6CCN(CC6)C)CCCCCN7CCN(CC7)C)CCCCCN8CCN(CC8)C)O.C(=O)O	NGVHTSKQHXAYCW-UHFFFAOYSA-N
DG69333	"4-[3-(1,3-benzoxazol-2-yl)-1H-indol-2-yl]phenol"	136068403	CHEMBL1929130; NSC761942; NSC-761942	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761942	.	.	.	.	326.3	C21H14N2O2	62	465	4.9	25	2	3	2	"InChI=1S/C21H14N2O2/c24-14-11-9-13(10-12-14)20-19(15-5-1-2-6-16(15)22-20)21-23-17-7-3-4-8-18(17)25-21/h1-12,22,24H"	C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)O)C4=NC5=CC=CC=C5O4	GQPGUGOYNGZEEI-UHFFFAOYSA-N
DG69334	OSI-027 sodium salt	136069096	OSI-027 sodium salt; 1187559-66-5; NSC759660; NSC-759660	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759660	.	.	.	.	405.4	C21H21N6O3-	134	624	2.7	30	2	7	3	"InChI=1S/C21H22N6O3/c1-30-15-4-2-3-13-9-14(25-16(13)15)17-18-19(22)23-10-24-27(18)20(26-17)11-5-7-12(8-6-11)21(28)29/h2-4,9-12,25H,5-8H2,1H3,(H,28,29)(H2,22,23,24)/p-1"	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)[O-])N	JROFGZPOBKIAEW-UHFFFAOYSA-M
DG69335	"2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-propylpyrimidin"	136081020	"NSC771835; ZINC35587903; AKOS024627429; MCULE-9008010585; NSC-771835; 2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-propylpyrimidin; F2135-0914"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771835	.	.	.	.	232.28	C12H16N4O	59.3	375	1.6	17	1	3	3	"InChI=1S/C12H16N4O/c1-4-5-10-7-11(17)14-12(13-10)16-9(3)6-8(2)15-16/h6-7H,4-5H2,1-3H3,(H,13,14,17)"	CCCC1=CC(=O)NC(=N1)N2C(=CC(=N2)C)C	DZTHJJDLAVXFBK-UHFFFAOYSA-N
DG69336	"N-(4-Aminocyclohexyl)-N'-[6-(2-hydroxyphenyl)-3-pyridinylmethyl]-9-cyclopentyl-9H-purine-2,6-diamine"	136219283	"CHEMBL2402946; SCHEMBL15947163; SCHEMBL18801420; BDBM50437236; NSC787977; NSC-787977; 1448338-25-7; N-(4-Aminocyclohexyl)-N'-[6-(2-hydroxyphenyl)-3-pyridinylmethyl]-9-cyclopentyl-9H-purine-2,6-diamine; N2-(4-amino-cyclohexyl)-9-cyclopentyl-N6-[6-(2-hydroxy-phenyl)-pyridin-3-ylmethyl]-9H-purine-2,6-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787977	.	.	.	.	498.6	C28H34N8O	127	714	4	37	4	8	7	"InChI=1S/C28H34N8O/c29-19-10-12-20(13-11-19)33-28-34-26(25-27(35-28)36(17-32-25)21-5-1-2-6-21)31-16-18-9-14-23(30-15-18)22-7-3-4-8-24(22)37/h3-4,7-9,14-15,17,19-21,37H,1-2,5-6,10-13,16,29H2,(H2,31,33,34,35)"	C1CCC(C1)N2C=NC3=C(N=C(N=C32)NC4CCC(CC4)N)NCC5=CN=C(C=C5)C6=CC=CC=C6O	UVKLAINVJNUJNX-UHFFFAOYSA-N
DG69337	"6-(4-Hydroxy-2-methylphenyl)-2-(4-methylsulfonylphenyl)-4,5-dihydropyridazin-3-one"	136233493	CHEMBL2419055; NSC762914; NSC-762914	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762914	.	.	.	.	358.4	C18H18N2O4S	95.4	632	1.9	25	1	5	3	"InChI=1S/C18H18N2O4S/c1-12-11-14(21)5-8-16(12)17-9-10-18(22)20(19-17)13-3-6-15(7-4-13)25(2,23)24/h3-8,11,21H,9-10H2,1-2H3"	CC1=C(C=CC(=C1)O)C2=NN(C(=O)CC2)C3=CC=C(C=C3)S(=O)(=O)C	CIAVCYYNHAFASF-UHFFFAOYSA-N
DG69338	"2-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-6-(morpholin-4-yl)pyrimidin-4(3H)-one"	136264282	"CHEMBL3112862; 1260612-13-2; (S)-2-(2-(2-Methylindolin-1-yl)-2-oxoethyl)-6-morpholinopyrimidin-4(3H)-one; SCHEMBL1030883; SCHEMBL22595038; BCP13808; BDBM50447100; NSC780290; NSC780291; NSC-780290; NSC-780291; SB16716; SAR 260301;SAR260301; 2-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-6-(morpholin-4-yl)pyrimidin-4(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780290	.	.	.	.	354.4	C19H22N4O3	74.2	639	0.9	26	1	5	3	"InChI=1S/C19H22N4O3/c1-13-10-14-4-2-3-5-15(14)23(13)19(25)11-16-20-17(12-18(24)21-16)22-6-8-26-9-7-22/h2-5,12-13H,6-11H2,1H3,(H,20,21,24)"	CC1CC2=CC=CC=C2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4	UAXHPOBBKRWJGA-UHFFFAOYSA-N
DG69339	Tak931;tak 931	136603526	1330782-76-7; TAK931; SCHEMBL14343940; SCHEMBL21451097; TAK931;TAK 931; BCP29654; NSC801661; NSC-801661	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801661	.	.	.	.	341.4	C17H19N5OS	102	561	2	24	2	5	2	"InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)"	CC1=C(C=NN1)C2=CC3=C(S2)C(=O)NC(=N3)C4CC5CCN4CC5	XGVXKJKTISMIOW-UHFFFAOYSA-N
DG69340	"8-chloro-2-pyrrolidin-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one"	136662663	1169558-38-6; XL 413; CHEMBL3544944; HMS3673I03; NSC775771; AKOS032947321; NSC-775771; SB19457; DA-35013; FT-0771618	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775771	.	.	.	.	289.71	C14H12ClN3O2	66.6	456	2.2	20	2	4	1	"InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)"	C1CC(NC1)C2=NC3=C(C(=O)N2)OC4=C3C=C(C=C4)Cl	JJWLXRKVUJDJKG-UHFFFAOYSA-N
DG69341	"2-(3-(benzo[d][1,3]dioxol-5-yl)-1H-pyrazol-5-yl)-5-fluoro-1H-benzo[d]imidazole"	136929684	"SCHEMBL17255156; NSC768410; NSC-768410; 2-(3-(benzo[d][1,3]dioxol-5-yl)-1H-pyrazol-5-yl)-5-fluoro-1H-benzo[d]imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768410	.	.	.	.	322.29	C17H11FN4O2	75.8	470	3.1	24	2	5	2	"InChI=1S/C17H11FN4O2/c18-10-2-3-11-13(6-10)20-17(19-11)14-7-12(21-22-14)9-1-4-15-16(5-9)24-8-23-15/h1-7H,8H2,(H,19,20)(H,21,22)"	C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C4=NC5=C(N4)C=C(C=C5)F	JFESWRVPKVDRET-UHFFFAOYSA-N
DG69342	"2-[3-(3,4,5-Trimethoxyphenyl)-1H-pyrazole-5-yl]-1H-benzoimidazole"	136929741	"SCHEMBL17255224; NSC768400; NSC-768400; 2-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)-1H-benzo[d]imidazole; 2-[3-(3,4,5-Trimethoxyphenyl)-1H-pyrazole-5-yl]-1H-benzoimidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768400	.	.	.	.	350.4	C19H18N4O3	85	454	3.1	26	2	5	5	"InChI=1S/C19H18N4O3/c1-24-16-8-11(9-17(25-2)18(16)26-3)14-10-15(23-22-14)19-20-12-6-4-5-7-13(12)21-19/h4-10H,1-3H3,(H,20,21)(H,22,23)"	COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C3=NC4=CC=CC=C4N3	BDAGZBUIKLJQAQ-UHFFFAOYSA-N
DG69343	"(E)-3-(4-Ethynylphenyl)-2-(4-hydroxystyryl)pyrido[2,3-d]pyrimidin-4(3H)-one"	136949538	"SCHEMBL16526862; SCHEMBL17958972; NSC766334; NSC-766334; (E)-3-(4-Ethynylphenyl)-2-(4-hydroxystyryl)pyrido[2,3-d]pyrimidin-4(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766334	.	.	.	.	365.4	C23H15N3O2	65.8	675	3.7	28	1	4	4	"InChI=1S/C23H15N3O2/c1-2-16-5-10-18(11-6-16)26-21(14-9-17-7-12-19(27)13-8-17)25-22-20(23(26)28)4-3-15-24-22/h1,3-15,27H/b14-9+"	C#CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=CC=N3)/C=C/C4=CC=C(C=C4)O	XFVOFFUROFYCAW-NTEUORMPSA-N
DG69344	(3Z)-6-chloro-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one	136961555	CHEMBL3409070; NSC774958; NSC-774958	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774958	.	.	.	.	351.8	C19H14ClN3O2	67	533	3.5	25	2	3	3	"InChI=1S/C19H14ClN3O2/c1-25-14-5-2-11(3-6-14)17-10-13(22-23-17)9-16-15-7-4-12(20)8-18(15)21-19(16)24/h2-10H,1H3,(H,21,24)(H,22,23)/b16-9-"	COC1=CC=C(C=C1)C2=NNC(=C2)/C=C\\3/C4=C(C=C(C=C4)Cl)NC3=O	SMOZMGWLNJZMEF-SXGWCWSVSA-N
DG69345	(3Z)-5-methoxy-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one	136961556	CHEMBL3409071; NSC774959; NSC-774959	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774959	.	.	.	.	347.4	C20H17N3O3	76.2	544	2.8	26	2	4	4	"InChI=1S/C20H17N3O3/c1-25-14-5-3-12(4-6-14)19-10-13(22-23-19)9-17-16-11-15(26-2)7-8-18(16)21-20(17)24/h3-11H,1-2H3,(H,21,24)(H,22,23)/b17-9-"	COC1=CC=C(C=C1)C2=NNC(=C2)/C=C\\3/C4=C(C=CC(=C4)OC)NC3=O	SQMNHDOHVIIMLZ-MFOYZWKCSA-N
DG69346	"(3Z)-5-chloro-3-[[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one"	136961558	CHEMBL3409073; NSC774960; NSC-774960	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774960	.	.	.	.	411.8	C21H18ClN3O4	85.5	619	3.4	29	2	5	5	"InChI=1S/C21H18ClN3O4/c1-27-18-6-11(7-19(28-2)20(18)29-3)17-10-13(24-25-17)9-15-14-8-12(22)4-5-16(14)23-21(15)26/h4-10H,1-3H3,(H,23,26)(H,24,25)/b15-9-"	COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)/C=C\\3/C4=C(C=CC(=C4)Cl)NC3=O	CPNWKUCQXYMQCY-DHDCSXOGSA-N
DG69347	(S)-1-(4-(6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl)piperazin-1-yl)prop-2-en-1-one	137003167	"ARS-1620; 1698055-85-4; ARS-1323; ARS-1630; 1698024-73-5; 1698055-86-5; (S)-1-(4-(6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl)piperazin-1-yl)prop-2-en-1-one; 1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one; CHEMBL4214264; ARS1620; 1-(4-(6-Chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl)piperazin-1-yl)prop-2-en-1-one; ARS-1323 (racemic); ARS-1620 (S-configuration); ARS-1630 (R-configuration); SCHEMBL16637284; GTPL10383; AMY16838; ARS 1323; BCP29127; EX-A2714; EX-A2836; EX-A2837; YSC02473; YSC05586; BDBM50459706; HY-U00416; HY-U00417; NSC812172; s8707; AKOS037648780; example 227 [US9840516B2]; ACN-053846; ACN-053847; ACN-053848; NSC-812172; SB23244; (S)-1-[4-[6-Chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-quinazolinyl]-1-piperazinyl]-2-propen-1-one; AC-31602; AC-31607; AC-31608; BS-15572; SY235586; CS-0035015; CS-0035117; A16809; (6E)-6-[6-chloro-8-fluoro-4-(4-prop-2-enoylpiperazin-1-yl)-1H-quinazolin-7-ylidene]-5-fluorocyclohexa-2,4-dien-1-one; (R)-1-(4-(6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl)piperazin-1-yl)prop-2-en-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812172	.	.	.	.	430.8	C21H17ClF2N4O2	69.6	636	4	30	1	7	3	"InChI=1S/C21H17ClF2N4O2/c1-2-16(30)27-6-8-28(9-7-27)21-12-10-13(22)17(19(24)20(12)25-11-26-21)18-14(23)4-3-5-15(18)29/h2-5,10-11,29H,1,6-9H2"	C=CC(=O)N1CCN(CC1)C2=NC=NC3=C(C(=C(C=C32)Cl)C4=C(C=CC=C4F)O)F	ZRPZPNYZFSJUPA-UHFFFAOYSA-N
DG69348	5-chloro-3-[(Z)-[2-(4-methoxyphenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol	137225047	CHEMBL3813959; NSC763684; NSC-763684	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763684	.	.	.	.	401.8	C23H16ClN3O2	70	807	4.8	29	2	3	3	"InChI=1S/C23H16ClN3O2/c1-29-16-6-3-14(4-7-16)22-25-20-8-2-13(11-21(20)26-22)10-18-17-12-15(24)5-9-19(17)27-23(18)28/h2-12,27-28H,1H3/b13-10-"	COC1=CC=C(C=C1)C2=NC3=C/C(=C\\C4=C(NC5=C4C=C(C=C5)Cl)O)/C=CC3=N2	FKQHHLAZIRDNJP-RAXLEYEMSA-N
DG69349	Sotorasib	137278711	"AMG-510; Sotorasib; AMG510; 2296729-00-3; Lumakras; AMG-510 racemate; AMG 510; 2252403-56-6; Kras G12C inhibitor 9; UNII-2B2VM6UC8G; 2B2VM6UC8G; 4-((S)-4-Acryloyl-2-methylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one; CHEMBL4535757; Kras mutant-targeting AMG 510; 2296729-00-3 (racemate); 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one; sotorasibum; Sotorasib [INN]; 6-Fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-((2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido(2,3-d)pyrimidin-2-one; AMG510 racemate; Sotorasib [USAN]; AMG 510 racemate; AMG-510(racemate); SOTORASIB (RACEMATE); SCHEMBL20560375; GTPL10678; CHEBI:178199; AMG 510 pound>>AMG-510; AMY16918; BCP30452; BCP33368; EX-A3538; BDBM50514402; NSC818433; s8830; WHO 11370; AKOS037649138; DB15569; NSC-818433; BA172505; BA172506; BS-16684; HY-114277; CS-0081316; compound (R)-38 [PMID: 31820981]; D70074; D77975; A930071; A934531; AMG510 ; AMG 510; AMG-510; AMG510; (1m)-6-Fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-(propan-2-yl)pyridin-3-yl)-4-((2S)-2-methyl-4-(prop-2-enoyl)piperazin-1-yl)pyrido(2,3-d)pyrimidin-2(1H)-one; (1R)-4-((S)-4-Acryloyl-2-methylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one; (1S)-4-((S)-4-Acryloyl-2-methylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one; 2296729-66-1; 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[4-methyl-2-(propan-2-yl)pyridin-3-yl]-4-[(2S)-2-methyl-4-(prop-2-enoyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2(1H)-one; Pyrido(2,3-d)pyrimidin-2(1H)-one, 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-(1-methylethyl)-3-pyridinyl)-4-((2S)-2-methyl-4-(1-oxo-2-propen-1-yl)-1-piperazinyl)-; Pyrido[2,3-d]pyrimidin-2(1H)-one, 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[4-methyl-2-(1-methylethyl)-3-pyridinyl]-4-[(2S)-2-methyl-4-(1-oxo-2-propen-1-yl)-1-piperazinyl]-, (1R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	818433	.	.	.	.	560.6	C30H30F2N6O3	102	1030	4	41	1	7	5	"InChI=1S/C30H30F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t18-/m0/s1"	C[C@H]1CN(CCN1C2=NC(=O)N(C3=NC(=C(C=C32)F)C4=C(C=CC=C4F)O)C5=C(C=CN=C5C(C)C)C)C(=O)C=C	NXQKSXLFSAEQCZ-SFHVURJKSA-N
DG69350	"2-(4-Bromophenyl)-7,8-dihydroxychromene-4-thione"	137303064	CHEMBL3907319; NSC783091; NSC-783091	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783091	.	.	.	.	349.2	C15H9BrO3S	81.8	417	3.8	20	2	4	1	"InChI=1S/C15H9BrO3S/c16-9-3-1-8(2-4-9)12-7-13(20)10-5-6-11(17)14(18)15(10)19-12/h1-7,17-18H"	C1=CC(=CC=C1C2=CC(=S)C3=C(O2)C(=C(C=C3)O)O)Br	FWOXOZMWVNBQGF-UHFFFAOYSA-N
DG69351	neolymphostin A	137321157	CHEMBL4293970; neolymphostin A; GTPL10151; BDBM50468033; NSC790970; compound 4 [PMID: 30380865]; NSC-790970	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790970	.	.	.	.	338.4	C18H18N4O3	108	640	1.3	25	3	5	5	"InChI=1S/C18H18N4O3/c1-9(2)18(24)22-13-7-11(19)16-15-10(8-20-16)6-12(21-17(13)15)14(23)4-5-25-3/h4-9,19,21H,1-3H3,(H,22,24)/b5-4+,19-11 "	CC(C)C(=O)NC1=CC(=N)C2=NC=C3C2=C1NC(=C3)C(=O)/C=C/OC	AMBGZHQTMCPRDB-SSQJTDSESA-N
DG69352	"(R)-6,7-Dimethoxy-2-methyl-N-(1-(4-(2-((methylamino)methyl)phenyl)thiophen-2-yl)ethyl)quinazolin-4-amine"	137322663	"BAY-293; 2244904-70-7; BAY293; (R)-6,7-Dimethoxy-2-methyl-N-(1-(4-(2-((methylamino)methyl)phenyl)thiophen-2-yl)ethyl)quinazolin-4-amine; 6,7-dimethoxy-2-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine; (R)-(6,7-Dimethoxy-2-methyl-quinazolin-4-yl)-[1-[4-(2-methylaminomethyl-phenyl)-thiophen-2-yl]-ethyl]-amine; 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine; yl)ethyl)quinazolin-4-amine; CHEMBL4535474; SCHEMBL22374615; GTPL10480; BAY 293; EX-A3181; MFCD31813755; NSC824723; s8826; ZB1622; AKOS037648957; NSC-824723; ((methylamino)methyl)phenyl)thiophen-2-; compound 23 [PMID: 30683722]; BS-16107; HY-114398; CS-0084967; P20513; (R)-6,7-Dimethoxy-2-methyl-N-(1-(4-(2-; A935365; (R)-6,7-Dimethoxy-2-methyl-N-[1-[4-[2-[(methylamino)methyl]phenyl]thiophene-2-yl]ethyl]quinazolin-4-amine; 6,7-dimethoxy-2-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]-2-thienyl]ethyl]quinazolin-4-amine; AXH"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	824723	.	.	.	.	448.6	C25H28N4O2S	96.5	584	4.8	32	2	7	8	"InChI=1S/C25H28N4O2S/c1-15(24-10-18(14-32-24)19-9-7-6-8-17(19)13-26-3)27-25-20-11-22(30-4)23(31-5)12-21(20)28-16(2)29-25/h6-12,14-15,26H,13H2,1-5H3,(H,27,28,29)/t15-/m1/s1"	CC1=NC2=CC(=C(C=C2C(=N1)N[C@H](C)C3=CC(=CS3)C4=CC=CC=C4CNC)OC)OC	WEGLOYDTDILXDA-OAHLLOKOSA-N
DG69353	"8-methoxy-3-[(1E)-3-(2-methoxyphenyl)-3-oxoprop-1-en-1-yl]-1,2-dihydroquinolin-2-one"	137350559	"SCHEMBL20574369; NSC795903; NSC-795903; 8-methoxy-3-[(1E)-3-(2-methoxyphenyl)-3-oxoprop-1-en-1-yl]-1,2-dihydroquinolin-2-one; 2098310-96-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795903	.	.	.	.	335.4	C20H17NO4	64.599	568	3.1	25	1	4	5	"InChI=1S/C20H17NO4/c1-24-17-8-4-3-7-15(17)16(22)11-10-14-12-13-6-5-9-18(25-2)19(13)21-20(14)23/h3-12H,1-2H3,(H,21,23)/b11-10+"	COC1=CC=CC=C1C(=O)/C=C/C2=CC3=C(C(=CC=C3)OC)NC2=O	KMTXOHJJHMCMLQ-ZHACJKMWSA-N
DG69354	Csf1R-IN-2	137455315	"CSF1R-IN-2; TPX-0022; 2271119-26-5; elzovantinib; UNII-TTY12Q00LY; TTY12Q00LY; TPX002; SCHEMBL20694441; GTPL11869; TPX0022; EX-A5131; NSC820832; s9620; NSC-820832; compound 5 [WO2019023417A1]; HY-111787; CS-0091874; (11S)-16-amino-2-ethyl-6-fluoro-11-methyl-14-oxo-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-5-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	820832	.	.	.	.	409.4	C20H20FN7O2	122	687	2.1	30	2	8	1	"InChI=1S/C20H20FN7O2/c1-3-27-10-13-12(8-22)14(21)4-5-15(13)30-11(2)9-24-20(29)17-18(23)26-28-7-6-16(27)25-19(17)28/h4-7,11H,3,9-10H2,1-2H3,(H2,23,26)(H,24,29)/t11-/m0/s1"	CCN1CC2=C(C=CC(=C2C#N)F)O[C@H](CNC(=O)C3=C4N=C1C=CN4N=C3N)C	UUDPUQDMSHQSKH-NSHDSACASA-N
DG69355	NSC783432	137459396	"(1S,2S,4R,7E,11S)-8-[[4-(3-chlorophenyl)triazol-1-yl]methyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one; CHEMBL4290234; SCHEMBL20699103; NSC783432; NSC-783432"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783432	.	.	.	.	425.9	C23H24ClN3O3	69.5	743	3.6	30	0	5	3	"InChI=1S/C23H24ClN3O3/c1-14-18-9-8-15(5-4-10-23(2)21(30-23)20(18)29-22(14)28)12-27-13-19(25-26-27)16-6-3-7-17(24)11-16/h3,5-7,11,13,18,20-21H,1,4,8-10,12H2,2H3/b15-5+/t18-,20-,21-,23+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CN4C=C(N=N4)C5=CC(=CC=C5)Cl	DHNKNUXDODRYSF-WZPNFPJPSA-N
DG69356	NSC783912	137459401	"(1S,2S,4R,7E,11S)-8-[[4-[3,5-bis(trifluoromethyl)phenyl]triazol-1-yl]methyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one; CHEMBL4284479; SCHEMBL20699108; NSC783912; NSC-783912; (1S,2S,4R,7E,11S)-8-[[4-[3,5-bis(trifluoromethyl)phenyl]triazol-1-yl]methyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783912	.	.	.	.	527.5	C25H23F6N3O3	69.5	931	4.8	37	0	11	3	"InChI=1S/C25H23F6N3O3/c1-13-18-6-5-14(4-3-7-23(2)21(37-23)20(18)36-22(13)35)11-34-12-19(32-33-34)15-8-16(24(26,27)28)10-17(9-15)25(29,30)31/h4,8-10,12,18,20-21H,1,3,5-7,11H2,2H3/b14-4+/t18-,20-,21-,23+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CN4C=C(N=N4)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F	ZREFSAMKZCTNFF-GOAPWOOUSA-N
DG69357	NSC783430	137475220	"(1S,2S,4R,7E,11S)-8-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one; CHEMBL4280635; SCHEMBL20716200; NSC783430; NSC-783430"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783430	.	.	.	.	409.5	C23H24FN3O3	69.5	735	3.1	30	0	6	3	"InChI=1S/C23H24FN3O3/c1-14-18-10-5-15(4-3-11-23(2)21(30-23)20(18)29-22(14)28)12-27-13-19(25-26-27)16-6-8-17(24)9-7-16/h4,6-9,13,18,20-21H,1,3,5,10-12H2,2H3/b15-4+/t18-,20-,21-,23+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CN4C=C(N=N4)C5=CC=C(C=C5)F	CYDQIRZQIOCDIS-UVHRBFQASA-N
DG69358	NSC833745	137480383	"3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide; FT206; SCHEMBL20722352; FT-206; NSC833745; NSC-833745; HY-138698; 2278274-34-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	833745	.	.	.	.	447.6	C25H29N5OS	112	696	4.6	32	3	6	3	"InChI=1S/C25H29N5OS/c1-14-2-9-21-22(26)23(32-25(21)27-14)24(31)29-17-5-3-16-11-20(8-4-15(16)10-17)30-12-18-6-7-19(13-30)28-18/h2,4,8-9,11,17-19,28H,3,5-7,10,12-13,26H2,1H3,(H,29,31)/t17-,18 ,19 /m0/s1"	CC1=NC2=C(C=C1)C(=C(S2)C(=O)N[C@H]3CCC4=C(C3)C=CC(=C4)N5CC6CCC(C5)N6)N	UZKKSCQGVUDMFY-VIQWUECVSA-N
DG69359	"1,3-Bis(naphthalen-2-ylmethyl)-2-propylimidazol-1-ium"	137628967	CHEMBL4116073; NSC790459; NSC-790459	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790459	.	.	.	.	391.5	C28H27N2+	8.8	489	7	30	0	0	6	"InChI=1S/C28H27N2/c1-2-7-28-29(20-22-12-14-24-8-3-5-10-26(24)18-22)16-17-30(28)21-23-13-15-25-9-4-6-11-27(25)19-23/h3-6,8-19H,2,7,20-21H2,1H3/q+1"	CCCC1=[N+](C=CN1CC2=CC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4	VMPJGLOMFGNJMH-UHFFFAOYSA-N
DG69360	"2-Butyl-1,3-bis(naphthalen-2-ylmethyl)imidazol-1-ium"	137630537	CHEMBL4116691; NSC790460; NSC-790460	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790460	.	.	.	.	405.6	C29H29N2+	8.8	503	7.6	31	0	0	7	"InChI=1S/C29H29N2/c1-2-3-12-29-30(21-23-13-15-25-8-4-6-10-27(25)19-23)17-18-31(29)22-24-14-16-26-9-5-7-11-28(26)20-24/h4-11,13-20H,2-3,12,21-22H2,1H3/q+1"	CCCCC1=[N+](C=CN1CC2=CC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4	ZEECSMOPEBPWFL-UHFFFAOYSA-N
DG69361	"2-Methyl-1,3-bis(naphthalen-2-ylmethyl)imidazol-1-ium"	137630755	CHEMBL4117047; NSC790458; NSC-790458	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790458	.	.	.	.	363.5	C26H23N2+	8.8	461	6.2	28	0	0	4	"InChI=1S/C26H23N2/c1-20-27(18-21-10-12-23-6-2-4-8-25(23)16-21)14-15-28(20)19-22-11-13-24-7-3-5-9-26(24)17-22/h2-17H,18-19H2,1H3/q+1"	CC1=[N+](C=CN1CC2=CC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4	AFYWCAILLFORLV-UHFFFAOYSA-N
DG69362	"2-Ethyl-1,3-bis(naphthalen-2-ylmethyl)imidazol-1-ium"	137630808	CHEMBL4117107; NSC788638; NSC-788638	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788638	.	.	.	.	377.5	C27H25N2+	8.8	475	6.7	29	0	0	5	"InChI=1S/C27H25N2/c1-2-27-28(19-21-11-13-23-7-3-5-9-25(23)17-21)15-16-29(27)20-22-12-14-24-8-4-6-10-26(24)18-22/h3-18H,2,19-20H2,1H3/q+1"	CCC1=[N+](C=CN1CC2=CC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4	QFKUEEFRFIAMTK-UHFFFAOYSA-N
DG69363	"3-[(3R)-3-aminopyrrolidine-1-carbonyl]-5,10-dihydroxy-2-methylnaphtho[2,3-f][1]benzofuran-4,11-dione"	137631218	CHEMBL3775999; NSC766921; NSC-766921	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766921	.	.	.	.	406.4	C22H18N2O6	134	758	3	30	3	7	1	"InChI=1S/C22H18N2O6/c1-9-13(22(29)24-7-6-10(23)8-24)16-19(27)14-15(20(28)21(16)30-9)18(26)12-5-3-2-4-11(12)17(14)25/h2-5,10,25-26H,6-8,23H2,1H3/t10-/m1/s1"	CC1=C(C2=C(O1)C(=O)C3=C(C4=CC=CC=C4C(=C3C2=O)O)O)C(=O)N5CC[C@H](C5)N	GYYACSOHDBBOMG-SNVBAGLBSA-N
DG69364	5-Chloro-2-[(2-phenylbenzoyl)amino]benzamide	137632631	CHEMBL4066354; NSC778843; NSC-778843	.	.	Investigative Drug(s)	Investigative	Small molecular drug	778843	.	.	.	.	350.8	C20H15ClN2O2	72.2	478	4.4	25	2	2	4	"InChI=1S/C20H15ClN2O2/c21-14-10-11-18(17(12-14)19(22)24)23-20(25)16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-12H,(H2,22,24)(H,23,25)"	C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N	XLRFYWXAIGRMCT-UHFFFAOYSA-N
DG69365	"1-[4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole"	137634255	CHEMBL4069438; NSC789291; NSC-789291	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789291	.	.	.	.	418.5	C28H26N4	55.6	604	4.4	32	4	2	2	"InChI=1S/C28H26N4/c1-3-7-23-19(5-1)21-13-15-29-25(27(21)31-23)17-9-11-18(12-10-17)26-28-22(14-16-30-26)20-6-2-4-8-24(20)32-28/h1-12,25-26,29-32H,13-16H2"	C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC=C(C=C4)C5C6=C(CCN5)C7=CC=CC=C7N6	GJTGJNVSYAVKRP-UHFFFAOYSA-N
DG69366	NSC790513	137635101	"9-[3-(4,5-Dihydro-1,3-thiazol-2-ylamino)propyl]-5-fluoro-14-methoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4063586; SCHEMBL21803677; BDBM50257101; NSC790513; NSC-790513"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790513	.	.	.	.	438.5	C22H19FN4O3S	109	819	1.7	31	1	7	6	"InChI=1S/C22H19FN4O3S/c1-30-13-10-16-18(26-11-13)19-17(20(16)28)14-4-3-12(23)9-15(14)21(29)27(19)7-2-5-24-22-25-6-8-31-22/h3-4,9-11H,2,5-8H2,1H3,(H,24,25)"	COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)F)C(=O)N3CCCNC5=NCCS5)N=C1	YRTKFQZVICPSAQ-UHFFFAOYSA-N
DG69367	NSC783075	137635982	"14-Methoxy-9-[3-(4-methylpiperazin-1-yl)propyl]-5-nitro-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4062769; BDBM50237802; NSC783075; NSC-783075"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783075	.	.	.	.	463.5	C24H25N5O5	112	864	1.4	34	0	8	5	"InChI=1S/C24H25N5O5/c1-26-8-10-27(11-9-26)6-3-7-28-22-20(23(30)19-13-16(34-2)14-25-21(19)22)17-5-4-15(29(32)33)12-18(17)24(28)31/h4-5,12-14H,3,6-11H2,1-2H3"	CN1CCN(CC1)CCCN2C3=C(C4=C(C2=O)C=C(C=C4)[N+](=O)[O-])C(=O)C5=C3N=CC(=C5)OC	INJUSSRMORXZTG-UHFFFAOYSA-N
DG69368	NSC790511	137635992	"5-Fluoro-14-methoxy-9-(3-piperazin-1-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4063011; SCHEMBL21803651; BDBM50257104; NSC790511; NSC-790511"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790511	.	.	.	.	422.5	C23H23FN4O3	74.8	753	1.2	31	1	7	5	"InChI=1S/C23H23FN4O3/c1-31-15-12-18-20(26-13-15)21-19(22(18)29)16-4-3-14(24)11-17(16)23(30)28(21)8-2-7-27-9-5-25-6-10-27/h3-4,11-13,25H,2,5-10H2,1H3"	COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)F)C(=O)N3CCCN5CCNCC5)N=C1	IDNPTPWRYDBQMT-UHFFFAOYSA-N
DG69369	NSC789552	137637372	"5-Chloro-14-methoxy-9-[3-(propan-2-ylamino)propyl]-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4064072; SCHEMBL21803673; BDBM50257105; NSC789552; NSC-789552"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789552	.	.	.	.	411.9	C22H22ClN3O3	71.5	695	2.7	29	1	5	6	"InChI=1S/C22H22ClN3O3/c1-12(2)24-7-4-8-26-20-18(15-6-5-13(23)9-16(15)22(26)28)21(27)17-10-14(29-3)11-25-19(17)20/h5-6,9-12,24H,4,7-8H2,1-3H3"	CC(C)NCCCN1C2=C(C3=C(C1=O)C=C(C=C3)Cl)C(=O)C4=C2N=CC(=C4)OC	GBNSKQWRSBCCAG-UHFFFAOYSA-N
DG69370	NSC789550	137638583	"5-Chloro-14-methoxy-9-(3-pyrrolidin-1-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4072940; SCHEMBL21803678; BDBM50257120; NSC789550; NSC-789550"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789550	.	.	.	.	423.9	C23H22ClN3O3	62.7	735	2.8	30	0	5	5	"InChI=1S/C23H22ClN3O3/c1-30-15-12-18-20(25-13-15)21-19(22(18)28)16-6-5-14(24)11-17(16)23(29)27(21)10-4-9-26-7-2-3-8-26/h5-6,11-13H,2-4,7-10H2,1H3"	COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)Cl)C(=O)N3CCCN5CCCC5)N=C1	YLUNZONQAXVOSD-UHFFFAOYSA-N
DG69371	NSC790509	137638718	"5-Fluoro-14-methoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4072994; BDBM50257090; NSC790509; NSC-790509"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790509	.	.	.	.	423.4	C23H22FN3O4	72	753	1.4	31	0	7	5	"InChI=1S/C23H22FN3O4/c1-30-15-12-18-20(25-13-15)21-19(22(18)28)16-4-3-14(24)11-17(16)23(29)27(21)6-2-5-26-7-9-31-10-8-26/h3-4,11-13H,2,5-10H2,1H3"	COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)F)C(=O)N3CCCN5CCOCC5)N=C1	PAEFTRUWDBYVEW-UHFFFAOYSA-N
DG69372	N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(quinazolin-4-ylamino)-1H-pyrazole-5-carboxamide	137638801	CHEMBL4071450; BDBM50270318; NSC781147; NSC-781147	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781147	.	.	.	.	442.5	C24H26N8O	102	634	3.1	33	3	7	6	"InChI=1S/C24H26N8O/c1-31-10-12-32(13-11-31)15-17-6-8-18(9-7-17)28-24(33)22-21(14-27-30-22)29-23-19-4-2-3-5-20(19)25-16-26-23/h2-9,14,16H,10-13,15H2,1H3,(H,27,30)(H,28,33)(H,25,26,29)"	CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=CC=CC=C54	WSRSUSKJBOADHJ-UHFFFAOYSA-N
DG69373	NSC787304	137639745	"5-Chloro-9-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)propyl]-14-methoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4072279; SCHEMBL21803688; BDBM50257123; NSC787304; NSC-787304"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787304	.	.	.	.	454.9	C22H19ClN4O3S	109	819	2.2	31	1	6	6	"InChI=1S/C22H19ClN4O3S/c1-30-13-10-16-18(26-11-13)19-17(20(16)28)14-4-3-12(23)9-15(14)21(29)27(19)7-2-5-24-22-25-6-8-31-22/h3-4,9-11H,2,5-8H2,1H3,(H,24,25)"	COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)Cl)C(=O)N3CCCNC5=NCCS5)N=C1	MRUNMUKFVBNTSI-UHFFFAOYSA-N
DG69374	NSC790512	137639878	"5-Fluoro-14-methoxy-9-[3-(methylamino)propyl]-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4070873; SCHEMBL21803652; BDBM50257124; NSC790512; NSC-790512"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790512	.	.	.	.	367.4	C20H18FN3O3	71.5	652	1.3	27	1	6	5	"InChI=1S/C20H18FN3O3/c1-22-6-3-7-24-18-16(13-5-4-11(21)8-14(13)20(24)26)19(25)15-9-12(27-2)10-23-17(15)18/h4-5,8-10,22H,3,6-7H2,1-2H3"	CNCCCN1C2=C(C3=C(C1=O)C=C(C=C3)F)C(=O)C4=C2N=CC(=C4)OC	BNRFZTXOBLEOGA-UHFFFAOYSA-N
DG69375	NSC787306	137643195	"9-[3-[4-(2-Hydroxyethyl)piperazin-1-yl]propyl]-14-methoxy-5-nitro-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4087581; SCHEMBL21803682; BDBM50237808; NSC787306; NSC-787306"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787306	.	.	.	.	493.5	C25H27N5O6	132	898	0.7	36	1	9	7	"InChI=1S/C25H27N5O6/c1-36-17-14-20-22(26-15-17)23-21(24(20)32)18-4-3-16(30(34)35)13-19(18)25(33)29(23)6-2-5-27-7-9-28(10-8-27)11-12-31/h3-4,13-15,31H,2,5-12H2,1H3"	COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN5CCN(CC5)CCO)N=C1	AFJJPPSGYUGMFF-UHFFFAOYSA-N
DG69376	"N'-(1,3-benzodioxol-5-ylmethyl)-N-(7-chloroquinolin-4-yl)-N'-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)propane-1,3-diamine"	137643822	CHEMBL4085851; NSC784076; NSC-784076	.	.	Investigative Drug(s)	Investigative	Small molecular drug	784076	.	.	.	.	547	C29H31ClN6O3	84.9	763	5.4	39	1	9	9	"InChI=1S/C29H31ClN6O3/c1-20-15-28(35-11-13-37-14-12-35)34-29(33-20)36(18-21-3-6-26-27(16-21)39-19-38-26)10-2-8-31-24-7-9-32-25-17-22(30)4-5-23(24)25/h3-7,9,15-17H,2,8,10-14,18-19H2,1H3,(H,31,32)"	CC1=CC(=NC(=N1)N(CCCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC5=C(C=C4)OCO5)N6CCOCC6	VWWQZVLANOZKAO-UHFFFAOYSA-N
DG69377	NSC789549	137644721	"5-Chloro-14-methoxy-9-(3-piperazin-1-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4090922; SCHEMBL21803658; BDBM50257102; NSC789549; NSC-789549"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789549	.	.	.	.	438.9	C23H23ClN4O3	74.8	753	1.7	31	1	6	5	"InChI=1S/C23H23ClN4O3/c1-31-15-12-18-20(26-13-15)21-19(22(18)29)16-4-3-14(24)11-17(16)23(30)28(21)8-2-7-27-9-5-25-6-10-27/h3-4,11-13,25H,2,5-10H2,1H3"	COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)Cl)C(=O)N3CCCN5CCNCC5)N=C1	AXKNBHWUHFNTIR-UHFFFAOYSA-N
DG69378	NSC787305	137645346	"5-Chloro-9-[3-(4-hydroxypiperidin-1-yl)propyl]-14-methoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4083140; SCHEMBL21803674; BDBM50257089; NSC787305; NSC-787305"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787305	.	.	.	.	453.9	C24H24ClN3O4	83	781	2.2	32	1	6	5	"InChI=1S/C24H24ClN3O4/c1-32-16-12-19-21(26-13-16)22-20(23(19)30)17-4-3-14(25)11-18(17)24(31)28(22)8-2-7-27-9-5-15(29)6-10-27/h3-4,11-13,15,29H,2,5-10H2,1H3"	COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)Cl)C(=O)N3CCCN5CCC(CC5)O)N=C1	ZDQJNEIRRIUOGN-UHFFFAOYSA-N
DG69379	NSC783074	137645479	"14-Methoxy-5-nitro-9-(3-pyrrolidin-1-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4081000; SCHEMBL21803691; BDBM50237801; NSC783074; NSC-783074"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783074	.	.	.	.	434.4	C23H22N4O5	109	818	2	32	0	7	5	"InChI=1S/C23H22N4O5/c1-32-15-12-18-20(24-13-15)21-19(22(18)28)16-6-5-14(27(30)31)11-17(16)23(29)26(21)10-4-9-25-7-2-3-8-25/h5-6,11-13H,2-4,7-10H2,1H3"	COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN5CCCC5)N=C1	IDPVANAVAHLPSG-UHFFFAOYSA-N
DG69380	NSC790517	137646143	"5-Fluoro-14-methoxy-9-[3-(propan-2-ylamino)propyl]-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4085641; SCHEMBL21803683; BDBM50257127; NSC790517; NSC-790517"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790517	.	.	.	.	395.4	C22H22FN3O3	71.5	695	2.1	29	1	6	6	"InChI=1S/C22H22FN3O3/c1-12(2)24-7-4-8-26-20-18(15-6-5-13(23)9-16(15)22(26)28)21(27)17-10-14(29-3)11-25-19(17)20/h5-6,9-12,24H,4,7-8H2,1-3H3"	CC(C)NCCCN1C2=C(C3=C(C1=O)C=C(C=C3)F)C(=O)C4=C2N=CC(=C4)OC	VGOQHXKBHKPKGX-UHFFFAOYSA-N
DG69381	NSC774933	137648985	"6-[3-[(2-Methoxyphenyl)methylamino]propyl]-13-[3-[3-(methylamino)propylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone; CHEMBL4074553; NSC774933; NSC-774933"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774933	.	.	.	.	571.7	C32H37N5O5	120	929	2.4	42	3	8	15	"InChI=1S/C32H37N5O5/c1-33-14-5-15-34-16-6-18-36-29(38)22-10-12-24-28-25(13-11-23(27(22)28)30(36)39)32(41)37(31(24)40)19-7-17-35-20-21-8-3-4-9-26(21)42-2/h3-4,8-13,33-35H,5-7,14-20H2,1-2H3"	CNCCCNCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCNCC5=CC=CC=C5OC)C1=O	XIFGIYMMMUFHAH-UHFFFAOYSA-N
DG69382	NSC789553	137650951	"5-Chloro-14-methoxy-9-[3-(methylamino)propyl]-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4077196; SCHEMBL21803669; BDBM50257106; NSC789553; NSC-789553"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789553	.	.	.	.	383.8	C20H18ClN3O3	71.5	652	1.9	27	1	5	5	"InChI=1S/C20H18ClN3O3/c1-22-6-3-7-24-18-16(13-5-4-11(21)8-14(13)20(24)26)19(25)15-9-12(27-2)10-23-17(15)18/h4-5,8-10,22H,3,6-7H2,1-2H3"	CNCCCN1C2=C(C3=C(C1=O)C=C(C=C3)Cl)C(=O)C4=C2N=CC(=C4)OC	YPQBFNDIPKXILP-UHFFFAOYSA-N
DG69383	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl benzoate"	137651028	CHEMBL4079146; NSC794502; NSC-794502	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794502	.	.	.	.	368.4	C22H24O5	65.099	660	3.3	27	0	5	4	"InChI=1S/C22H24O5/c1-14-17-11-10-15(13-25-21(24)16-8-4-3-5-9-16)7-6-12-22(2)19(27-22)18(17)26-20(14)23/h3-5,7-9,17-19H,1,6,10-13H2,2H3/b15-7+/t17-,18-,19-,22+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)C4=CC=CC=C4	OMOILUMFLNJVEY-MKPGHTHTSA-N
DG69384	"4-[2-(Cyclopropylamino)quinazolin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one"	137651044	CHEMBL4079210; NSC786095; NSC-786095	.	.	Investigative Drug(s)	Investigative	Small molecular drug	786095	.	.	.	.	361.4	C20H19N5O2	79.4	557	3.4	27	2	6	4	"InChI=1S/C20H19N5O2/c1-27-13-8-9-17-16(10-13)22-18(26)11-25(17)19-14-4-2-3-5-15(14)23-20(24-19)21-12-6-7-12/h2-5,8-10,12H,6-7,11H2,1H3,(H,22,26)(H,21,23,24)"	COC1=CC2=C(C=C1)N(CC(=O)N2)C3=NC(=NC4=CC=CC=C43)NC5CC5	FRPPIQVXSWLPGY-UHFFFAOYSA-N
DG69385	NSC789554	137651075	"5-Chloro-9-[3-(ethylamino)propyl]-14-methoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4079315; SCHEMBL21803653; BDBM50257107; NSC789554; NSC-789554"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789554	.	.	.	.	397.9	C21H20ClN3O3	71.5	667	2.2	28	1	5	6	"InChI=1S/C21H20ClN3O3/c1-3-23-7-4-8-25-19-17(14-6-5-12(22)9-15(14)21(25)27)20(26)16-10-13(28-2)11-24-18(16)19/h5-6,9-11,23H,3-4,7-8H2,1-2H3"	CCNCCCN1C2=C(C3=C(C1=O)C=C(C=C3)Cl)C(=O)C4=C2N=CC(=C4)OC	QJEVDGDCTHQUOS-UHFFFAOYSA-N
DG69386	NSC790514	137652086	"9-[3-(Ethylamino)propyl]-5-fluoro-14-methoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4076362; SCHEMBL21803664; BDBM50257119; NSC790514; NSC-790514"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790514	.	.	.	.	381.4	C21H20FN3O3	71.5	667	1.7	28	1	6	6	"InChI=1S/C21H20FN3O3/c1-3-23-7-4-8-25-19-17(14-6-5-12(22)9-15(14)21(25)27)20(26)16-10-13(28-2)11-24-18(16)19/h5-6,9-11,23H,3-4,7-8H2,1-2H3"	CCNCCCN1C2=C(C3=C(C1=O)C=C(C=C3)F)C(=O)C4=C2N=CC(=C4)OC	VRXVSWVQXIEINY-UHFFFAOYSA-N
DG69387	NSC790510	137652438	"5-Fluoro-9-(3-imidazol-1-ylpropyl)-14-methoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4079995; SCHEMBL21803696; BDBM50257100; NSC790510; NSC-790510"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790510	.	.	.	.	404.4	C22H17FN4O3	77.3	744	1.5	30	0	6	5	"InChI=1S/C22H17FN4O3/c1-30-14-10-17-19(25-11-14)20-18(21(17)28)15-4-3-13(23)9-16(15)22(29)27(20)7-2-6-26-8-5-24-12-26/h3-5,8-12H,2,6-7H2,1H3"	COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)F)C(=O)N3CCCN5C=CN=C5)N=C1	HYHOVKFBRXRMNX-UHFFFAOYSA-N
DG69388	NSC790515	137653301	"5-Fluoro-14-methoxy-9-(3-pyrrolidin-1-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4094373; SCHEMBL21803687; BDBM50257125; NSC790515; NSC-790515"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790515	.	.	.	.	407.4	C23H22FN3O3	62.7	735	2.3	30	0	6	5	"InChI=1S/C23H22FN3O3/c1-30-15-12-18-20(25-13-15)21-19(22(18)28)16-6-5-14(24)11-17(16)23(29)27(21)10-4-9-26-7-2-3-8-26/h5-6,11-13H,2-4,7-10H2,1H3"	COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)F)C(=O)N3CCCN5CCCC5)N=C1	JSNXSAANPIBWQQ-UHFFFAOYSA-N
DG69389	"4-[2-(Ethylamino)quinazolin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one"	137653815	CHEMBL4095378; NSC786096; NSC-786096	.	.	Investigative Drug(s)	Investigative	Small molecular drug	786096	.	.	.	.	349.4	C19H19N5O2	79.4	504	3.2	26	2	6	4	"InChI=1S/C19H19N5O2/c1-3-20-19-22-14-7-5-4-6-13(14)18(23-19)24-11-17(25)21-15-10-12(26-2)8-9-16(15)24/h4-10H,3,11H2,1-2H3,(H,21,25)(H,20,22,23)"	CCNC1=NC2=CC=CC=C2C(=N1)N3CC(=O)NC4=C3C=CC(=C4)OC	XLBSCEPOSNTQJB-UHFFFAOYSA-N
DG69390	NSC774934	137654777	"6-[3-[(2-Methoxyphenyl)methylamino]propyl]-13-[3-[4-[3-(methylamino)propylamino]butylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone; CHEMBL4095021; NSC774934; NSC-774934"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774934	.	.	.	.	642.8	C36H46N6O5	132	1010	2.7	47	4	9	20	"InChI=1S/C36H46N6O5/c1-37-16-7-19-38-17-5-6-18-39-20-8-22-41-33(43)26-12-14-28-32-29(15-13-27(31(26)32)34(41)44)36(46)42(35(28)45)23-9-21-40-24-25-10-3-4-11-30(25)47-2/h3-4,10-15,37-40H,5-9,16-24H2,1-2H3"	CNCCCNCCCCNCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCNCC5=CC=CC=C5OC)C1=O	NQOJKQUAJBSULW-UHFFFAOYSA-N
DG69391	NSC772289	137656417	"6-(3-Aminopropyl)-13-[3-[(2-methoxyphenyl)methylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone; CHEMBL4102784; NSC772289; NSC-772289"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772289	.	.	.	.	500.5	C28H28N4O5	122	848	1.9	37	2	7	10	"InChI=1S/C28H28N4O5/c1-37-22-7-3-2-6-17(22)16-30-13-5-15-32-27(35)20-10-8-18-23-19(9-11-21(24(20)23)28(32)36)26(34)31(25(18)33)14-4-12-29/h2-3,6-11,30H,4-5,12-16,29H2,1H3"	COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCN)C2=O	CFPBBKXHRQMBOK-UHFFFAOYSA-N
DG69392	NSC787303	137656446	"5-Chloro-9-(3-imidazol-1-ylpropyl)-14-methoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4103520; SCHEMBL21803655; BDBM50257099; NSC787303; NSC-787303"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787303	.	.	.	.	420.8	C22H17ClN4O3	77.3	744	2	30	0	5	5	"InChI=1S/C22H17ClN4O3/c1-30-14-10-17-19(25-11-14)20-18(21(17)28)15-4-3-13(23)9-16(15)22(29)27(20)7-2-6-26-8-5-24-12-26/h3-5,8-12H,2,6-7H2,1H3"	COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)Cl)C(=O)N3CCCN5C=CN=C5)N=C1	RHUBXYGWGVODBD-UHFFFAOYSA-N
DG69393	NSC790516	137660083	"5-Fluoro-9-[3-(4-hydroxypiperidin-1-yl)propyl]-14-methoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4101133; SCHEMBL21803665; BDBM50257126; NSC790516; NSC-790516"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790516	.	.	.	.	437.5	C24H24FN3O4	83	781	1.7	32	1	7	5	"InChI=1S/C24H24FN3O4/c1-32-16-12-19-21(26-13-16)22-20(23(19)30)17-4-3-14(25)11-18(17)24(31)28(22)8-2-7-27-9-5-15(29)6-10-27/h3-4,11-13,15,29H,2,5-10H2,1H3"	COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)F)C(=O)N3CCCN5CCC(CC5)O)N=C1	AHRFPSKABRPTCE-UHFFFAOYSA-N
DG69394	NSC787302	137661166	"5-Chloro-14-methoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; CHEMBL4099136; SCHEMBL21803662; BDBM50257122; NSC787302; NSC-787302"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787302	.	.	.	.	439.9	C23H22ClN3O4	72	753	2	31	0	6	5	"InChI=1S/C23H22ClN3O4/c1-30-15-12-18-20(25-13-15)21-19(22(18)28)16-4-3-14(24)11-17(16)23(29)27(21)6-2-5-26-7-9-31-10-8-26/h3-4,11-13H,2,5-10H2,1H3"	COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)Cl)C(=O)N3CCCN5CCOCC5)N=C1	LEUOQDXUTZNMKV-UHFFFAOYSA-N
DG69395	"5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine"	138105941	"CHEMBL4540226; 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine; CDK inhibitor 4.35; GTPL10357; LGR4455; BDBM50521533; NSC787980; NSC-787980; 5-[(2-aminoethyl)sulfanyl]-3-(propan-2-yl)-N-{[4-(pyridin-2-yl)phenyl]methyl}-1H-pyrazolo[4,3-d]pyrimidin-7-amine; FCQ"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787980	.	.	.	.	419.5	C22H25N7S	131	514	3.4	30	3	7	8	"InChI=1S/C22H25N7S/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)30-12-10-23)25-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,28,29)(H,25,26,27)"	CC(C)C1=C2C(=NN1)C(=NC(=N2)SCCN)NCC3=CC=C(C=C3)C4=CC=CC=N4	PCQPAKMJSYGXRE-UHFFFAOYSA-N
DG69396	Lmp7-IN-1	138319683	"LMP7-IN-1; M3258; 2285330-15-4; NSC818432; NSC-818432; HY-111790; CS-0091883; M-3258; ((R)-2-(Benzofuran-3-yl)-1-((1S,2R,4R)-7-oxabicyclo[2.2.1]heptane-2-carboxamido)ethyl)boronic acid; [(1~{R})-2-(1-benzofuran-3-yl)-1-[[(1~{S},2~{R},4~{R})-7-oxabicyclo[2.2.1]heptan-2-yl]carbonylamino]ethyl]boronic acid; [(1R)-2-(1-benzofuran-3-yl)-1-{[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]formamido}ethyl]boronic acid; ((R)-2-(benzofuran-3-yl)-1-((1S,2R,4R)-7-oxabicyclo[2.2.1]heptane-2-carboxamido)ethyl)boronic acid; [(1R)-2-(1-benzofuran-3-yl)-1-[[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbonylamino]ethyl]boronic acid; [(1R)-2-(1-benzofuran-3-yl)-1-[[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]boronic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	818432	.	.	.	.	329.2	C17H20BNO5	91.9	476	.	24	3	5	5	"InChI=1S/C17H20BNO5/c20-17(13-8-11-5-6-15(13)24-11)19-16(18(21)22)7-10-9-23-14-4-2-1-3-12(10)14/h1-4,9,11,13,15-16,21-22H,5-8H2,(H,19,20)/t11-,13-,15+,16+/m1/s1"	B([C@H](CC1=COC2=CC=CC=C21)NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)(O)O	RFQDLTYXNINJON-OYNZBZHQSA-N
DG69397	"4-methoxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide"	138607196	"SCHEMBL20969797; BDBM435719; US10570155, Compound 2III; NSC780027; NSC-780027"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780027	.	.	.	.	506.6	C24H22N6O3S2	147	770	4.5	35	2	9	9	"InChI=1S/C24H22N6O3S2/c1-33-18-7-9-19(10-8-18)35(31,32)27-14-13-26-23-25-12-11-20(28-23)22-21(17-5-3-2-4-6-17)29-24-30(22)15-16-34-24/h2-12,15-16,27H,13-14H2,1H3,(H,25,26,28)"	COC1=CC=C(C=C1)S(=O)(=O)NCCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC=CC=C5	DUAGJVFSWKNHNE-UHFFFAOYSA-N
DG69398	Adagrasib	138611145	"MRTX849; 2326521-71-3; Adagrasib; MRTX-849; UNII-8EOO6HQF8Y; 8EOO6HQF8Y; Kras G12C inhibitor MRTX849; 2-((S)-4-(7-(8-Chloronaphthalen-1-yl)-2-(((S)-1-methylpyrrolidin-2-yl)methoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-1-(2-fluoroacryloyl)piperazin-2-yl)acetonitrile; 2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile; 2-Piperazineacetonitrile, 4-[7-(8-chloro-1-naphthalenyl)-5,6,7,8-tetrahydro-2-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoro-1-oxo-2-propen-1-yl)-, (2S)-; 2-Piperazineacetonitrile, 4-(7-(8-chloro-1-naphthalenyl)-5,6,7,8-tetrahydro-2-(((2S)-1-methyl-2-pyrrolidinyl)methoxy)pyrido(3,4-d)pyrimidin-4-yl)-1-(2-fluoro-1-oxo-2-propen-1-yl)-, (2S)-; Adagrasib [USAN]; CHEMBL4594350; SCHEMBL20974691; GTPL10888; BCP31538; EX-A3258; MRTX-849; MRTX 849; BDBM50539763; MFCD32263433; NSC831453; s8884; WHO 11519; AKOS037648997; AT23561; NSC-831453; compound 20 [PMID: 32250617]; BM177692; BS-16211; HY-130149; CS-0105265; A936721; [(2S)-4-[7-(8-Chloro-1-naphthyl)-2-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroacryloyl)-2-piperazinyl]acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	831453	.	.	.	.	604.1	C32H35ClFN7O2	88.8	1060	5	43	0	9	7	"InChI=1S/C32H35ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,23-24H,1,5,8,11-12,14-20H2,2H3/t23-,24-/m0/s1"	CN1CCC[C@H]1COC2=NC3=C(CCN(C3)C4=CC=CC5=C4C(=CC=C5)Cl)C(=N2)N6CCN([C@H](C6)CC#N)C(=O)C(=C)F	PEMUGDMSUDYLHU-ZEQRLZLVSA-N
DG69399	N-((R)-1-(3-amino-5-(trifluoromethyl)phenyl)ethyl)-7-methoxy-2-methyl-6-(((S)-tetrahydrofuran-3-yl)oxy)quinazolin-4-amine	138911318	BI-3406; 2230836-55-0; N-((R)-1-(3-amino-5-(trifluoromethyl)phenyl)ethyl)-7-methoxy-2-methyl-6-(((S)-tetrahydrofuran-3-yl)oxy)quinazolin-4-amine; N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3S)-tetrahydrofuran-3-yl]oxy-quinazolin-4-amine; MFCD32197204; CHEMBL4519023; SCHEMBL23345432; BCP31741; EX-A3418; BI3406; NSC825286; s8916; NSC-825286; BI 3406; BI3406; AC-31563; HY-125817; CS-0100048; D79297; A934679; L7H; N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine; N-[(1R)-1-[3-AMINO-5-(TRIFLUOROMETHYL)PHENYL]ETHYL]-7-METHOXY-2-METHYL-6-[(3S)-OXOLAN-3-YLOXY]QUINAZOLIN-4-AMINE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	825286	.	.	.	.	462.5	C23H25F3N4O3	91.5	643	4.3	33	2	10	6	"InChI=1S/C23H25F3N4O3/c1-12(14-6-15(23(24,25)26)8-16(27)7-14)28-22-18-9-21(33-17-4-5-32-11-17)20(31-3)10-19(18)29-13(2)30-22/h6-10,12,17H,4-5,11,27H2,1-3H3,(H,28,29,30)/t12-,17+/m1/s1"	CC1=NC2=CC(=C(C=C2C(=N1)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)O[C@H]4CCOC4)OC	XVFDNRYZXDHTHT-PXAZEXFGSA-N
DG69400	KuWal151	138991772	"KuWal151; CHEMBL4796016; NSC795194; NSC-795194; 3-(3-Chlorophenyl)-6,7-dihydropyrrolo[3,4-g]indol-8(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795194	.	.	.	.	282.72	C16H11ClN2O	44.9	402	3.2	20	2	1	1	"InChI=1S/C16H11ClN2O/c17-11-3-1-2-9(6-11)13-8-18-15-12(13)5-4-10-7-19-16(20)14(10)15/h1-6,8,18H,7H2,(H,19,20)"	C1C2=C(C3=C(C=C2)C(=CN3)C4=CC(=CC=C4)Cl)C(=O)N1	XZCWNSGWBUAUOO-UHFFFAOYSA-N
DG69401	"1-N'-(4-fluorophenyl)-1-N-[4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide"	139350422	"JUN04542; 2367004-54-2; XL092; XL-092; SCHEMBL21200856; EX-A5029; CL-092; NSC828252; NSC-828252; HY-138696; N-(4-Fluorophenyl)-N-(4-((7-methoxy-6-(methylcarbamoyl)quinolin-4-yl)oxy)phenyl)cyclopropane-1,1-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	828252	.	.	.	.	528.5	C29H25FN4O5	119	885	4.7	39	3	7	8	"InChI=1S/C29H25FN4O5/c1-31-26(35)22-15-21-23(16-25(22)38-2)32-14-11-24(21)39-20-9-7-19(8-10-20)34-28(37)29(12-13-29)27(36)33-18-5-3-17(30)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,35)(H,33,36)(H,34,37)"	CNC(=O)C1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	JSPCKALGNNVYOO-UHFFFAOYSA-N
DG69402	"5-chloro-N-(4-methoxyphenyl)-N,1-dimethylpyrazolo[4,3-d]pyrimidin-7-amine"	139467480	SCHEMBL21333199; NSC798522; NSC-798522	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798522	.	.	.	.	303.75	C14H14ClN5O	56.1	352	2.9	21	0	5	3	"InChI=1S/C14H14ClN5O/c1-19(9-4-6-10(21-3)7-5-9)13-12-11(8-16-20(12)2)17-14(15)18-13/h4-8H,1-3H3"	CN1C2=C(C=N1)N=C(N=C2N(C)C3=CC=C(C=C3)OC)Cl	OXJPJFSQXVFWIL-UHFFFAOYSA-N
DG69403	(E)-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-N'-propylprop-2-enehydrazide	139558701	CHEMBL4597954; SCHEMBL21455002; NSC797352; NSC-797352	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797352	.	.	.	.	390.5	C24H30N4O	69	515	4.1	29	4	3	10	"InChI=1S/C24H30N4O/c1-3-15-26-28-24(29)13-12-19-8-10-20(11-9-19)17-25-16-14-21-18(2)27-23-7-5-4-6-22(21)23/h4-13,25-27H,3,14-17H2,1-2H3,(H,28,29)/b13-12+"	CCCNNC(=O)/C=C/C1=CC=C(C=C1)CNCCC2=C(NC3=CC=CC=C32)C	VGRNFHJXEIFRTK-OUKQBFOZSA-N
DG69404	methyl N-[6-(3-iodobenzoyl)-1H-benzimidazol-2-yl]carbamate	139560615	SCHEMBL21438110; NSC811291; NSC-811291	.	.	Investigative Drug(s)	Investigative	Small molecular drug	811291	.	.	.	.	421.19	C16H12IN3O3	84.1	462	3.5	23	2	4	4	"InChI=1S/C16H12IN3O3/c1-23-16(22)20-15-18-12-6-5-10(8-13(12)19-15)14(21)9-3-2-4-11(17)7-9/h2-8H,1H3,(H2,18,19,20,22)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC(=CC=C3)I	NQDGZMIFDRCSIT-UHFFFAOYSA-N
DG69405	"10-Chloro-6-[3-(2-hydroxyethylamino)propylamino]-7,7-dioxothiochromeno[2,3-c]quinolin-12-one"	139572414	SCHEMBL21451066; NSC803939; NSC-803939	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803939	.	.	.	.	445.9	C21H20ClN3O4S	117	716	3.2	30	3	7	7	"InChI=1S/C21H20ClN3O4S/c22-13-6-7-17-15(12-13)19(27)18-14-4-1-2-5-16(14)25-21(20(18)30(17,28)29)24-9-3-8-23-10-11-26/h1-2,4-7,12,23,26H,3,8-11H2,(H,24,25)"	C1=CC=C2C(=C1)C3=C(C(=N2)NCCCNCCO)S(=O)(=O)C4=C(C3=O)C=C(C=C4)Cl	SFYBBPLUKDILRN-UHFFFAOYSA-N
DG69406	"10-Chloro-7,7-dioxo-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one"	139572447	SCHEMBL21451104; NSC803934; NSC-803934	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803934	.	.	.	.	386.9	C19H15ClN2O3S	84.5	650	4.3	26	1	5	3	"InChI=1S/C19H15ClN2O3S/c1-2-9-21-19-18-16(12-5-3-4-6-14(12)22-19)17(23)13-10-11(20)7-8-15(13)26(18,24)25/h3-8,10H,2,9H2,1H3,(H,21,22)"	CCCNC1=NC2=CC=CC=C2C3=C1S(=O)(=O)C4=C(C3=O)C=C(C=C4)Cl	UDGJKBAQIKQEII-UHFFFAOYSA-N
DG69407	"2-amino-4-[4-(6-fluoro-5-methylpyridin-3-yl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile"	142491885	SCHEMBL21932709; NSC834374; NSC-834374; HY-139065; CS-0179304; 2254434-33-6	.	.	Investigative Drug(s)	Investigative	Small molecular drug	834374	.	.	.	.	425.4	C25H16FN3O3	98.2	882	4.4	32	1	7	2	"InChI=1S/C25H16FN3O3/c1-13-10-16(12-29-23(13)26)14-6-8-15(9-7-14)20-18(11-27)24(28)32-22-17-4-2-3-5-19(17)31-25(30)21(20)22/h2-10,12,20H,28H2,1H3"	CC1=CC(=CN=C1F)C2=CC=C(C=C2)C3C(=C(OC4=C3C(=O)OC5=CC=CC=C54)N)C#N	QYTOMCGQPLOOOC-UHFFFAOYSA-N
DG69408	NSC806408	142506036	4-[[[2-[(1S)-1-[(2-amino-5-cyano-6-methylpyrimidin-4-yl)amino]ethyl]-4-oxo-3-phenylquinazolin-5-yl]amino]methyl]-N-hydroxybenzamide; CHEMBL4526673; SCHEMBL21980271; BDBM50527605; NSC806408; NSC-806408	.	.	Investigative Drug(s)	Investigative	Small molecular drug	806408	.	.	.	.	561.6	C30H27N9O3	182	1030	4.3	42	5	10	8	"InChI=1S/C30H27N9O3/c1-17-22(15-31)26(37-30(32)35-17)34-18(2)27-36-24-10-6-9-23(25(24)29(41)39(27)21-7-4-3-5-8-21)33-16-19-11-13-20(14-12-19)28(40)38-42/h3-14,18,33,42H,16H2,1-2H3,(H,38,40)(H3,32,34,35,37)/t18-/m0/s1"	CC1=C(C(=NC(=N1)N)N[C@@H](C)C2=NC3=C(C(=CC=C3)NCC4=CC=C(C=C4)C(=O)NO)C(=O)N2C5=CC=CC=C5)C#N	ZMFSLMFEFNPUMJ-SFHVURJKSA-N
DG69409	"4-[2-[2-[(1S)-1-[(2,6-diamino-5-cyanopyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]ethyl]-N-hydroxybenzamide"	142506102	CHEMBL4450613; SCHEMBL21980265; BDBM50527624; NSC800372; NSC-800372	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800372	.	.	.	.	575.6	C31H29N9O3	196	1050	4.3	43	5	10	9	"InChI=1S/C31H29N9O3/c1-2-23(35-27-22(17-32)26(33)37-31(34)38-27)28-36-24-10-6-7-19(14-11-18-12-15-20(16-13-18)29(41)39-43)25(24)30(42)40(28)21-8-4-3-5-9-21/h3-10,12-13,15-16,23,43H,2,11,14H2,1H3,(H,39,41)(H5,33,34,35,37,38)/t23-/m0/s1"	CC[C@@H](C1=NC2=CC=CC(=C2C(=O)N1C3=CC=CC=C3)CCC4=CC=C(C=C4)C(=O)NO)NC5=NC(=NC(=C5C#N)N)N	KYZLRDASIUNFBY-QHCPKHFHSA-N
DG69410	NSC804154	142506117	2-[[2-[(1S)-1-[(2-amino-5-cyano-6-methylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide; SCHEMBL21980232; NSC804154; NSC-804154	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804154	.	.	.	.	591.6	C30H29N11O3	199	1080	3	44	4	12	9	"InChI=1S/C30H29N11O3/c1-4-22(36-25-21(13-31)17(2)35-29(32)38-25)26-37-23-12-8-9-18(24(23)28(43)41(26)20-10-6-5-7-11-20)16-40(3)30-33-14-19(15-34-30)27(42)39-44/h5-12,14-15,22,44H,4,16H2,1-3H3,(H,39,42)(H3,32,35,36,38)/t22-/m0/s1"	CC[C@@H](C1=NC2=CC=CC(=C2C(=O)N1C3=CC=CC=C3)CN(C)C4=NC=C(C=N4)C(=O)NO)NC5=NC(=NC(=C5C#N)C)N	GZILQXRJFGOVRM-QFIPXVFZSA-N
DG69411	4-[[[2-[(1S)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]methyl]-N-hydroxybenzamide	142506136	CHEMBL4467927; SCHEMBL21980217; BDBM50527625; NSC800377; NSC-800377	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800377	.	.	.	.	571	C29H27ClN8O3	158	926	4.8	41	5	9	9	"InChI=1S/C29H27ClN8O3/c1-2-20(35-26-24(30)25(31)33-16-34-26)27-36-22-10-6-9-21(23(22)29(40)38(27)19-7-4-3-5-8-19)32-15-17-11-13-18(14-12-17)28(39)37-41/h3-14,16,20,32,41H,2,15H2,1H3,(H,37,39)(H3,31,33,34,35)/t20-/m0/s1"	CC[C@@H](C1=NC2=C(C(=CC=C2)NCC3=CC=C(C=C3)C(=O)NO)C(=O)N1C4=CC=CC=C4)NC5=NC=NC(=C5Cl)N	MNHYUBALLWYCPX-FQEVSTJZSA-N
DG69412	4-[[[2-[(1S)-1-[(2-amino-6-methylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]methyl]-N-hydroxybenzamide	142506147	CHEMBL4459679; SCHEMBL21980278; BDBM50527629; NSC800374; NSC-800374	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800374	.	.	.	.	550.6	C30H30N8O3	158	919	4.6	41	5	9	9	"InChI=1S/C30H30N8O3/c1-3-22(34-25-16-18(2)33-30(31)36-25)27-35-24-11-7-10-23(26(24)29(40)38(27)21-8-5-4-6-9-21)32-17-19-12-14-20(15-13-19)28(39)37-41/h4-16,22,32,41H,3,17H2,1-2H3,(H,37,39)(H3,31,33,34,36)/t22-/m0/s1"	CC[C@@H](C1=NC2=C(C(=CC=C2)NCC3=CC=C(C=C3)C(=O)NO)C(=O)N1C4=CC=CC=C4)NC5=NC(=NC(=C5)C)N	JWAGEFMQZLEIOL-QFIPXVFZSA-N
DG69413	5-[[2-[(1S)-1-[(2-amino-5-cyano-6-methylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxypentanamide	142506155	CHEMBL4544187; SCHEMBL21980215; BDBM50527611; NSC806410; NSC-806410	.	.	Investigative Drug(s)	Investigative	Small molecular drug	806410	.	.	.	.	541.6	C28H31N9O3	182	947	4	40	5	10	11	"InChI=1S/C28H31N9O3/c1-3-20(33-25-19(16-29)17(2)32-28(30)35-25)26-34-22-13-9-12-21(31-15-8-7-14-23(38)36-40)24(22)27(39)37(26)18-10-5-4-6-11-18/h4-6,9-13,20,31,40H,3,7-8,14-15H2,1-2H3,(H,36,38)(H3,30,32,33,35)/t20-/m0/s1"	CC[C@@H](C1=NC2=C(C(=CC=C2)NCCCCC(=O)NO)C(=O)N1C3=CC=CC=C3)NC4=NC(=NC(=C4C#N)C)N	NXMKJFZABAEHHG-FQEVSTJZSA-N
DG69414	N-hydroxy-4-[[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]amino]methyl]benzamide	142506189	CHEMBL4516095; SCHEMBL21980289; BDBM50527627; NSC795502; NSC-795502	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795502	.	.	.	.	561.6	C30H27N9O3	161	968	4.4	42	5	9	9	"InChI=1S/C30H27N9O3/c1-2-21(36-27-25-26(33-16-32-25)34-17-35-27)28-37-23-10-6-9-22(24(23)30(41)39(28)20-7-4-3-5-8-20)31-15-18-11-13-19(14-12-18)29(40)38-42/h3-14,16-17,21,31,42H,2,15H2,1H3,(H,38,40)(H2,32,33,34,35,36)/t21-/m0/s1"	CC[C@@H](C1=NC2=C(C(=CC=C2)NCC3=CC=C(C=C3)C(=O)NO)C(=O)N1C4=CC=CC=C4)NC5=NC=NC6=C5NC=N6	OLUMCBYQNVOFLW-NRFANRHFSA-N
DG69415	6-[2-[(1S)-1-[(2-amino-5-cyano-6-methylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]-N-hydroxyhexanamide	142506192	CHEMBL4443378; SCHEMBL21980328; BDBM50527623; NSC803461; NSC-803461	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803461	.	.	.	.	540.6	C29H32N8O3	170	945	4.5	40	4	9	11	"InChI=1S/C29H32N8O3/c1-3-22(33-26-21(17-30)18(2)32-29(31)35-26)27-34-23-15-10-12-19(11-6-4-9-16-24(38)36-40)25(23)28(39)37(27)20-13-7-5-8-14-20/h5,7-8,10,12-15,22,40H,3-4,6,9,11,16H2,1-2H3,(H,36,38)(H3,31,32,33,35)/t22-/m0/s1"	CC[C@@H](C1=NC2=CC=CC(=C2C(=O)N1C3=CC=CC=C3)CCCCCC(=O)NO)NC4=NC(=NC(=C4C#N)C)N	TZFMCSSETKBUSI-QFIPXVFZSA-N
DG69416	NSC800371	142506238	"4-[[[2-[(1S)-1-[(2,6-diamino-5-cyanopyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]methyl]-N-hydroxybenzamide; CHEMBL4464812; SCHEMBL21980287; BDBM50527633; NSC800371; NSC-800371"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800371	.	.	.	.	576.6	C30H28N10O3	208	1050	4.1	43	6	11	9	"InChI=1S/C30H28N10O3/c1-2-21(35-26-20(15-31)25(32)37-30(33)38-26)27-36-23-10-6-9-22(24(23)29(42)40(27)19-7-4-3-5-8-19)34-16-17-11-13-18(14-12-17)28(41)39-43/h3-14,21,34,43H,2,16H2,1H3,(H,39,41)(H5,32,33,35,37,38)/t21-/m0/s1"	CC[C@@H](C1=NC2=C(C(=CC=C2)NCC3=CC=C(C=C3)C(=O)NO)C(=O)N1C4=CC=CC=C4)NC5=NC(=NC(=C5C#N)N)N	XBZDKDNYELJFTM-NRFANRHFSA-N
DG69417	CBP/p300-IN-8	142545683	CBP/p300-IN-8; SCHEMBL22189929; FT6876; NSC828853; FT-6876; NSC-828853; HY-136920; CS-0134434; 2304416-91-7	.	.	Investigative Drug(s)	Investigative	Small molecular drug	828853	.	.	.	.	461.6	C27H31N3O4	84.7	741	4.7	34	1	5	5	"InChI=1S/C27H31N3O4/c1-17-11-12-21-22(29(17)27(33)34-2)13-14-23-25(21)28-24(15-18-7-4-3-5-8-18)30(23)20-10-6-9-19(16-20)26(31)32/h3-5,7-8,13-14,17,19-20H,6,9-12,15-16H2,1-2H3,(H,31,32)/t17-,19-,20-/m0/s1"	C[C@H]1CCC2=C(N1C(=O)OC)C=CC3=C2N=C(N3[C@H]4CCC[C@@H](C4)C(=O)O)CC5=CC=CC=C5	ABNLUJMIBRFYRV-IHPCNDPISA-N
DG69418	NSC781168	142736778	"4-[[2-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide; CHEMBL4589373; BDBM50512432; NSC781168; NSC-781168"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781168	.	.	.	.	613.7	C29H30F3N7O3S	140	942	4.2	43	3	11	8	"InChI=1S/C29H30F3N7O3S/c1-3-38-10-12-39(13-11-38)17-18-4-5-19(14-22(18)29(30,31)32)35-27(41)37-28-36-23-7-6-20(16-25(23)43-28)42-21-8-9-34-24(15-21)26(40)33-2/h4-9,14-16H,3,10-13,17H2,1-2H3,(H,33,40)(H2,35,36,37,41)"	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=NC4=C(S3)C=C(C=C4)OC5=CC(=NC=C5)C(=O)NC)C(F)(F)F	SQQPRORGDVPLSI-UHFFFAOYSA-N
DG69419	"4-[2-[(2,4-difluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide"	142739462	NSC780953; NSC-780953	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780953	.	.	.	.	449.4	C23H17F2N5O3	105	687	3.4	33	3	7	5	"InChI=1S/C23H17F2N5O3/c1-26-22(31)19-12-14(9-10-27-19)33-20-4-2-3-17-15(20)6-8-21(28-17)30-23(32)29-18-7-5-13(24)11-16(18)25/h2-12H,1H3,(H,26,31)(H2,28,29,30,32)"	CNC(=O)C1=NC=CC(=C1)OC2=CC=CC3=C2C=CC(=N3)NC(=O)NC4=C(C=C(C=C4)F)F	OJDNIHNKMQKCMK-UHFFFAOYSA-N
DG69420	"2-[4-[(9E)-7-(4,4-dimethylcyclohexyl)sulfonyl-9-hydroxyiminofluoren-2-yl]sulfonylpiperazin-1-yl]-5-fluorophenol"	145284742	NSC789645; NSC-789645	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789645	.	.	.	.	627.8	C31H34FN3O6S2	144	1250	5.5	43	2	10	5	"InChI=1S/C31H34FN3O6S2/c1-31(2)11-9-21(10-12-31)42(38,39)22-4-6-24-25-7-5-23(19-27(25)30(33-37)26(24)18-22)43(40,41)35-15-13-34(14-16-35)28-8-3-20(32)17-29(28)36/h3-8,17-19,21,36-37H,9-16H2,1-2H3/b33-30+"	CC1(CCC(CC1)S(=O)(=O)C2=CC\\3=C(C=C2)C4=C(/C3=N/O)C=C(C=C4)S(=O)(=O)N5CCN(CC5)C6=C(C=C(C=C6)F)O)C	CVBRQWNGZNXYHR-KKYHWDRJSA-N
DG69421	"1-[4-[4-(Dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea"	145420388	SCHEMBL22085812; NSC780882; NSC-780882	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780882	.	.	.	.	568.7	C31H36N8O3	107	893	2.8	42	2	7	6	"InChI=1S/C31H36N8O3/c1-36(2)26-13-16-38(17-14-26)30(40)23-7-11-25(12-8-23)33-31(41)32-24-9-5-22(6-10-24)28-34-29(37-18-20-42-21-19-37)27-4-3-15-39(27)35-28/h3-12,15,26H,13-14,16-21H2,1-2H3,(H2,32,33,41)"	CN(C)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NN5C=CC=C5C(=N4)N6CCOCC6	FWLCNEPGPUTNAP-UHFFFAOYSA-N
DG69422	"1-(2-Hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea"	145420425	SCHEMBL22085251; NSC787491; NSC-787491	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787491	.	.	.	.	382.4	C19H22N6O3	104	510	0.5	28	3	6	5	"InChI=1S/C19H22N6O3/c26-11-7-20-19(27)21-15-5-3-14(4-6-15)17-22-18(24-9-12-28-13-10-24)16-2-1-8-25(16)23-17/h1-6,8,26H,7,9-13H2,(H2,20,21,27)"	C1COCCN1C2=NC(=NN3C2=CC=C3)C4=CC=C(C=C4)NC(=O)NCCO	QRZUINJXMUITFM-UHFFFAOYSA-N
DG69423	"1-(2-hydroxyethyl)-3-[4-[4-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]thiourea"	145420445	SCHEMBL22085242; NSC787490; NSC-787490	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787490	.	.	.	.	424.5	C21H24N6O2S	119	592	1.7	30	3	6	5	"InChI=1S/C21H24N6O2S/c28-11-9-22-21(30)23-15-5-3-14(4-6-15)19-24-20(18-2-1-10-27(18)25-19)26-12-16-7-8-17(13-26)29-16/h1-6,10,16-17,28H,7-9,11-13H2,(H2,22,23,30)/t16-,17+"	C1C[C@H]2CN(C[C@@H]1O2)C3=NC(=NN4C3=CC=C4)C5=CC=C(C=C5)NC(=S)NCCO	GHUROFYDQUZIJT-CALCHBBNSA-N
DG69424	"1-[4-(4-Methylpiperazine-1-carbonyl)phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea"	145420532	SCHEMBL22087313; NSC780883; NSC-780883	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780883	.	.	.	.	540.6	C29H32N8O3	107	848	2	40	2	7	5	"InChI=1S/C29H32N8O3/c1-34-13-15-36(16-14-34)28(38)22-6-10-24(11-7-22)31-29(39)30-23-8-4-21(5-9-23)26-32-27(35-17-19-40-20-18-35)25-3-2-12-37(25)33-26/h2-12H,13-20H2,1H3,(H2,30,31,39)"	CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NN5C=CC=C5C(=N4)N6CCOCC6	DVTRTLVTBRMZOD-UHFFFAOYSA-N
DG69425	"1-[4-(4-Morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-3-ylurea"	145420560	SCHEMBL22085810; NSC780881; NSC-780881	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780881	.	.	.	.	415.4	C22H21N7O2	96.7	594	1.7	31	2	6	4	"InChI=1S/C22H21N7O2/c30-22(25-18-3-1-9-23-15-18)24-17-7-5-16(6-8-17)20-26-21(28-11-13-31-14-12-28)19-4-2-10-29(19)27-20/h1-10,15H,11-14H2,(H2,24,25,30)"	C1COCCN1C2=NC(=NN3C2=CC=C3)C4=CC=C(C=C4)NC(=O)NC5=CN=CC=C5	WPMKFGCCABCSIX-UHFFFAOYSA-N
DG69426	NSC791858	145946560	"4-[(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(2,2-dichloroacetyl)oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carbonyl]oxybutyl-triphenylphosphanium; CHEMBL4300762; NSC791858; NSC-791858"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791858	.	.	.	.	885	C54H70Cl2O4P+	52.6	1550	14.7	61	0	4	13	"InChI=1S/C54H70Cl2O4P/c1-37-27-32-54(49(58)59-35-17-18-36-61(39-19-11-8-12-20-39,40-21-13-9-14-22-40)41-23-15-10-16-24-41)34-33-52(6)42(46(54)38(37)2)25-26-44-51(5)30-29-45(60-48(57)47(55)56)50(3,4)43(51)28-31-53(44,52)7/h8-16,19-25,37-38,43-47H,17-18,26-36H2,1-7H3/q+1/t37-,38+,43+,44-,45+,46+,51+,52-,53-,54+/m1/s1"	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C(Cl)Cl)C)C)[C@@H]2[C@H]1C)C)C(=O)OCCCC[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8	XYRPZFYRAOHGMW-FKWJDDPUSA-N
DG69427	NSC791856	145947993	"4-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(2,2-dichloroacetyl)oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]oxybutyl-triphenylphosphanium; CHEMBL4302932; NSC791856; NSC-791856"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791856	.	.	.	.	885	C54H70Cl2O4P+	52.6	1530	15.6	61	0	4	14	"InChI=1S/C54H70Cl2O4P/c1-37(2)41-27-32-54(49(58)59-35-17-18-36-61(38-19-11-8-12-20-38,39-21-13-9-14-22-39)40-23-15-10-16-24-40)34-33-52(6)42(46(41)54)25-26-44-51(5)30-29-45(60-48(57)47(55)56)50(3,4)43(51)28-31-53(44,52)7/h8-16,19-24,41-47H,1,17-18,25-36H2,2-7H3/q+1/t41-,42+,43-,44+,45-,46+,51-,52+,53+,54-/m0/s1"	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C(Cl)Cl)C)C(=O)OCCCC[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8	BJBFSHDIGUXKCJ-PTQFMRNHSA-N
DG69428	"2-[[(3R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-3-yl]amino]naphthalene-1,4-dione"	145949210	CHEMBL4171491; BDBM50282197; NSC768136; NSC-768136	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768136	.	.	.	.	459.5	C25H25N5O4	120	806	3.6	34	2	9	5	"InChI=1S/C25H25N5O4/c1-33-21-10-17-18(12-22(21)34-2)28-25(29-24(17)26)30-9-5-6-14(13-30)27-19-11-20(31)15-7-3-4-8-16(15)23(19)32/h3-4,7-8,10-12,14,27H,5-6,9,13H2,1-2H3,(H2,26,28,29)/t14-/m1/s1"	COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[C@H](C3)NC4=CC(=O)C5=CC=CC=C5C4=O)N)OC	ZLHMTVZLNSBOJW-CQSZACIVSA-N
DG69429	"2,3-dimethoxy-12-(2-pyrrolidin-1-ylethyl)-13H-[1,3]benzodioxolo[5,6-c]phenanthridine"	145949637	CHEMBL4171663; SCHEMBL21630151; NSC793453; NSC-793453	.	.	Investigative Drug(s)	Investigative	Small molecular drug	793453	.	.	.	.	432.5	C26H28N2O4	43.4	643	4.8	32	0	6	5	"InChI=1S/C26H28N2O4/c1-29-22-12-18-15-28(10-9-27-7-3-4-8-27)26-19(20(18)13-23(22)30-2)6-5-17-11-24-25(14-21(17)26)32-16-31-24/h5-6,11-14H,3-4,7-10,15-16H2,1-2H3"	COC1=C(C=C2C(=C1)CN(C3=C2C=CC4=CC5=C(C=C43)OCO5)CCN6CCCC6)OC	MXHXOYWREZYVAW-UHFFFAOYSA-N
DG69430	"12-(3-Imidazol-1-ylpropyl)-2,3-dimethoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-13-one"	145950775	CHEMBL4173009; SCHEMBL21630169; NSC793457; NSC-793457	.	.	Investigative Drug(s)	Investigative	Small molecular drug	793457	.	.	.	.	457.5	C26H23N3O5	75	739	3.7	34	0	6	6	"InChI=1S/C26H23N3O5/c1-31-21-12-19-17-5-4-16-10-23-24(34-15-33-23)11-18(16)25(17)29(8-3-7-28-9-6-27-14-28)26(30)20(19)13-22(21)32-2/h4-6,9-14H,3,7-8,15H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C=C3)OCO5)N(C2=O)CCCN6C=CN=C6)OC	WXKYYCDHYYYUGE-UHFFFAOYSA-N
DG69431	"12-(3-imidazol-1-ylpropyl)-2,3-dimethoxy-13H-[1,3]benzodioxolo[5,6-c]phenanthridine"	145953630	CHEMBL4167660; SCHEMBL21630128; NSC793461; NSC-793461	.	.	Investigative Drug(s)	Investigative	Small molecular drug	793461	.	.	.	.	443.5	C26H25N3O4	58	667	4.3	33	0	6	6	"InChI=1S/C26H25N3O4/c1-30-22-11-18-14-29(8-3-7-28-9-6-27-15-28)26-19(20(18)12-23(22)31-2)5-4-17-10-24-25(13-21(17)26)33-16-32-24/h4-6,9-13,15H,3,7-8,14,16H2,1-2H3"	COC1=C(C=C2C(=C1)CN(C3=C2C=CC4=CC5=C(C=C43)OCO5)CCCN6C=CN=C6)OC	HVNHWFXBZPKIDY-UHFFFAOYSA-N
DG69432	"2-(2,3-dimethoxy-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-12-yl)-N,N-dimethylethanamine"	145957984	CHEMBL4162334; SCHEMBL21630144; NSC793460; NSC-793460	.	.	Investigative Drug(s)	Investigative	Small molecular drug	793460	.	.	.	.	406.5	C24H26N2O4	43.4	590	4.3	30	0	6	5	"InChI=1S/C24H26N2O4/c1-25(2)7-8-26-13-16-10-20(27-3)21(28-4)11-18(16)17-6-5-15-9-22-23(30-14-29-22)12-19(15)24(17)26/h5-6,9-12H,7-8,13-14H2,1-4H3"	CN(C)CCN1CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC	YUMNTRHQUNZDNO-UHFFFAOYSA-N
DG69433	"2-[[(3S)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-3-yl]amino]naphthalene-1,4-dione"	145962478	CHEMBL4163587; BDBM50282202; NSC768137; NSC-768137	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768137	.	.	.	.	459.5	C25H25N5O4	120	806	3.6	34	2	9	5	"InChI=1S/C25H25N5O4/c1-33-21-10-17-18(12-22(21)34-2)28-25(29-24(17)26)30-9-5-6-14(13-30)27-19-11-20(31)15-7-3-4-8-16(15)23(19)32/h3-4,7-8,10-12,14,27H,5-6,9,13H2,1-2H3,(H2,26,28,29)/t14-/m0/s1"	COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[C@@H](C3)NC4=CC(=O)C5=CC=CC=C5C4=O)N)OC	ZLHMTVZLNSBOJW-AWEZNQCLSA-N
DG69434	"4,6-diethyl-3-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-methylsulfanyl-3a,6a-dihydroimidazo[4,5-d]imidazol-5-one"	145964068	CHEMBL4210197; NSC803200; NSC-803200	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803200	.	.	.	.	387.5	C19H25N5O2S	86	623	2.7	27	0	5	7	"InChI=1S/C19H25N5O2S/c1-5-22-16-17(23(6-2)19(22)25)24(18(21-16)27-4)20-13-9-11-14-10-7-8-12-15(14)26-3/h7-13,16-17H,5-6H2,1-4H3/b11-9+,20-13+"	CCN1C2C(N(C1=O)CC)N(C(=N2)SC)/N=C/C=C/C3=CC=CC=C3OC	ISEAYDRBLSFJMC-ZEQSIELKSA-N
DG69435	"2-(5-fluoro-1H-indol-3-yl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole"	145965905	CHEMBL4209811; NSC783865; NSC-783865	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783865	.	.	.	.	392.5	C21H17FN4OS	84	543	3.6	28	1	5	5	"InChI=1S/C21H17FN4OS/c1-27-8-7-26-11-17(14-3-2-6-23-20(14)26)19-12-28-21(25-19)16-10-24-18-5-4-13(22)9-15(16)18/h2-6,9-12,24H,7-8H2,1H3"	COCCN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)F	NJURVYNEJRTRBB-UHFFFAOYSA-N
DG69436	NSC799678	145966124	"4,6-diethyl-3-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-sulfanylidene-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-5-one; CHEMBL4210068; NSC799678; NSC-799678"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799678	.	.	.	.	373.5	C18H23N5O2S	92.5	596	2.3	26	1	4	6	"InChI=1S/C18H23N5O2S/c1-4-21-15-16(22(5-2)18(21)24)23(17(26)20-15)19-12-8-10-13-9-6-7-11-14(13)25-3/h6-12,15-16H,4-5H2,1-3H3,(H,20,26)/b10-8+,19-12+"	CCN1C2C(N(C1=O)CC)N(C(=S)N2)/N=C/C=C/C3=CC=CC=C3OC	MTYNXDRAJLIBDC-SLUIUKIVSA-N
DG69437	"2-(1H-indol-3-yl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole"	145973314	CHEMBL4217147; NSC783854; NSC-783854	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783854	.	.	.	.	374.5	C21H18N4OS	84	509	3.5	27	1	4	5	"InChI=1S/C21H18N4OS/c1-26-10-9-25-12-17(15-6-4-8-22-20(15)25)19-13-27-21(24-19)16-11-23-18-7-3-2-5-14(16)18/h2-8,11-13,23H,9-10H2,1H3"	COCCN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CNC5=CC=CC=C54	FJYKJKHXXREEMQ-UHFFFAOYSA-N
DG69438	NSC799702	145973786	"4,6-dimethyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-sulfanylidene-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-5-one; CHEMBL4217644; NSC799702; NSC-799702"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799702	.	.	.	.	360.4	C15H16N6O3S	129	633	1.4	25	1	5	3	"InChI=1S/C15H16N6O3S/c1-18-12-13(19(2)15(18)22)20(14(25)17-12)16-9-5-7-10-6-3-4-8-11(10)21(23)24/h3-9,12-13H,1-2H3,(H,17,25)/b7-5+,16-9+"	CN1C2C(N(C1=O)C)N(C(=S)N2)/N=C/C=C/C3=CC=CC=C3[N+](=O)[O-]	SBKMDQUCVBDIFB-ASWACWRWSA-N
DG69439	NSC809855	145973988	"4-ethyl-3-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-6-phenyl-2-sulfanylidene-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-5-one; CHEMBL4216986; NSC809855; NSC-809855"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809855	.	.	.	.	421.5	C22H23N5O2S	92.5	693	3.5	30	1	4	6	"InChI=1S/C22H23N5O2S/c1-3-25-20-19(26(22(25)28)17-12-5-4-6-13-17)24-21(30)27(20)23-15-9-11-16-10-7-8-14-18(16)29-2/h4-15,19-20H,3H2,1-2H3,(H,24,30)/b11-9+,23-15+"	CCN1C2C(NC(=S)N2/N=C/C=C/C3=CC=CC=C3OC)N(C1=O)C4=CC=CC=C4	SVSYMJZSNHBWER-AORSRVFISA-N
DG69440	"4,6-diethyl-2-ethylsulfanyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-3a,6a-dihydroimidazo[4,5-d]imidazol-5-one"	145975356	CHEMBL4205020; NSC809815; NSC-809815	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809815	.	.	.	.	416.5	C19H24N6O3S	123	707	2.9	29	0	6	7	"InChI=1S/C19H24N6O3S/c1-4-22-16-17(23(5-2)19(22)26)24(18(21-16)29-6-3)20-13-9-11-14-10-7-8-12-15(14)25(27)28/h7-13,16-17H,4-6H2,1-3H3/b11-9+,20-13+"	CCN1C2C(N(C1=O)CC)N(C(=N2)SCC)/N=C/C=C/C3=CC=CC=C3[N+](=O)[O-]	OZLGIKJBNNNTLT-ZEQSIELKSA-N
DG69441	"4,6-diethyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-sulfanylidene-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-5-one"	145975875	CHEMBL4205702; NSC799699; NSC-799699	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799699	.	.	.	.	343.4	C17H21N5OS	83.3	543	2.3	24	1	3	5	"InChI=1S/C17H21N5OS/c1-3-20-14-15(21(4-2)17(20)23)22(16(24)19-14)18-12-8-11-13-9-6-5-7-10-13/h5-12,14-15H,3-4H2,1-2H3,(H,19,24)/b11-8+,18-12+"	CCN1C2C(N(C1=O)CC)N(C(=S)N2)/N=C/C=C/C3=CC=CC=C3	ZKFBHJXHPXBJBI-BUJDNCMTSA-N
DG69442	N-[4-[bis(2-chloroethyl)amino]phenyl]-N'-hydroxyoctanediamide	145977632	CHEMBL4205840; BDBM50450968; NSC757000; NSC-757000	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757000	.	.	.	.	404.3	C18H27Cl2N3O3	81.7	399	2.9	26	3	4	13	"InChI=1S/C18H27Cl2N3O3/c19-11-13-23(14-12-20)16-9-7-15(8-10-16)21-17(24)5-3-1-2-4-6-18(25)22-26/h7-10,26H,1-6,11-14H2,(H,21,24)(H,22,25)"	C1=CC(=CC=C1NC(=O)CCCCCCC(=O)NO)N(CCCl)CCCl	YKRPYLZHNJSUEJ-UHFFFAOYSA-N
DG69443	"4-ethyl-6-phenyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-sulfanylidene-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-5-one"	145977855	CHEMBL4205272; NSC799700; NSC-799700	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799700	.	.	.	.	391.5	C21H21N5OS	83.3	639	3.5	28	1	3	5	"InChI=1S/C21H21N5OS/c1-2-24-19-18(25(21(24)27)17-13-7-4-8-14-17)23-20(28)26(19)22-15-9-12-16-10-5-3-6-11-16/h3-15,18-19H,2H2,1H3,(H,23,28)/b12-9+,22-15+"	CCN1C2C(NC(=S)N2/N=C/C=C/C3=CC=CC=C3)N(C1=O)C4=CC=CC=C4	FFXQRSNHHWEXKO-TZLYQZOHSA-N
DG69444	"ethyl N-(6-pentylsulfanyl-1,3-benzothiazol-2-yl)carbamate"	145980221	CHEMBL4282691; NSC781894; NSC-781894	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781894	.	.	.	.	324.5	C15H20N2O2S2	105	331	5	21	1	5	8	"InChI=1S/C15H20N2O2S2/c1-3-5-6-9-20-11-7-8-12-13(10-11)21-14(16-12)17-15(18)19-4-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17,18)"	CCCCCSC1=CC2=C(C=C1)N=C(S2)NC(=O)OCC	DMJSZEUNRKQTHV-UHFFFAOYSA-N
DG69445	NSC786080	145982150	"(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-8-[[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]methyl]-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one; CHEMBL4280082; NSC786080; NSC-786080"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	786080	.	.	.	.	459.5	C24H24F3N3O3	69.5	832	3.9	33	0	8	3	"InChI=1S/C24H24F3N3O3/c1-14-16-10-9-15(6-5-11-23(2)21(33-23)20(16)32-22(14)31)12-30-13-19(28-29-30)17-7-3-4-8-18(17)24(25,26)27/h3-4,6-8,13,16,20-21H,1,5,9-12H2,2H3/b15-6+/t16-,20-,21-,23+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CN4C=C(N=N4)C5=CC=CC=C5C(F)(F)F	WBXSGWAZSOHOMB-BFPAQMPXSA-N
DG69446	NSC786079	145983691	"(1S,2S,4R,7E,11S)-8-[[4-(4-aminophenyl)triazol-1-yl]methyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one; CHEMBL4277014; NSC786079; NSC-786079"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	786079	.	.	.	.	406.5	C23H26N4O3	95.6	732	2.3	30	1	6	3	"InChI=1S/C23H26N4O3/c1-14-18-10-5-15(4-3-11-23(2)21(30-23)20(18)29-22(14)28)12-27-13-19(25-26-27)16-6-8-17(24)9-7-16/h4,6-9,13,18,20-21H,1,3,5,10-12,24H2,2H3/b15-4+/t18-,20-,21-,23+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CN4C=C(N=N4)C5=CC=C(C=C5)N	WJRKWIHULFPPQS-UVHRBFQASA-N
DG69447	NSC786078	145987937	"(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-8-[(4-thiophen-3-yltriazol-1-yl)methyl]-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one; CHEMBL4289154; NSC786078; NSC-786078"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	786078	.	.	.	.	397.5	C21H23N3O3S	97.8	698	2.7	28	0	6	3	"InChI=1S/C21H23N3O3S/c1-13-16-6-5-14(10-24-11-17(22-23-24)15-7-9-28-12-15)4-3-8-21(2)19(27-21)18(16)26-20(13)25/h4,7,9,11-12,16,18-19H,1,3,5-6,8,10H2,2H3/b14-4+/t16-,18-,19-,21+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CN4C=C(N=N4)C5=CSC=C5	XWIUIRFBWJSKGD-CWCYHTAHSA-N
DG69448	NSC785225	145992177	"(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-8-[[4-(2,4,5-trimethylphenyl)triazol-1-yl]methyl]-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one; CHEMBL4284815; NSC785225; NSC-785225"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785225	.	.	.	.	433.5	C26H31N3O3	69.5	797	4.1	32	0	5	3	"InChI=1S/C26H31N3O3/c1-15-11-17(3)21(12-16(15)2)22-14-29(28-27-22)13-19-7-6-10-26(5)24(32-26)23-20(9-8-19)18(4)25(30)31-23/h7,11-12,14,20,23-24H,4,6,8-10,13H2,1-3,5H3/b19-7+/t20-,23-,24-,26+/m0/s1"	CC1=CC(=C(C=C1C)C2=CN(N=N2)C/C/3=C/CC[C@@]4([C@@H](O4)[C@@H]5[C@@H](CC3)C(=C)C(=O)O5)C)C	GZWNSHPGNKHYIS-BUWYEPHTSA-N
DG69449	3-(4-Methoxyphenyl)-N-(2-morpholinopyrimidin-4-yl)isoxazol-5-amine	146018837	"BO-264; 2408648-20-2; 3-(4-Methoxyphenyl)-N-(2-morpholinopyrimidin-4-yl)isoxazol-5-amine; 3-(4-Methoxyphenyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine; SCHEMBL21625750; BO264; BCP33848; EX-A3407; NSC807620; s8965; BO 264; BO264; NSC-807620; HY-135960; CS-0116466; D81616"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	807620	.	.	.	.	353.4	C18H19N5O3	85.5	429	2.6	26	1	8	5	"InChI=1S/C18H19N5O3/c1-24-14-4-2-13(3-5-14)15-12-17(26-22-15)20-16-6-7-19-18(21-16)23-8-10-25-11-9-23/h2-7,12H,8-11H2,1H3,(H,19,20,21)"	COC1=CC=C(C=C1)C2=NOC(=C2)NC3=NC(=NC=C3)N4CCOCC4	WRCGBYNVBFVRTN-UHFFFAOYSA-N
DG69450	Atamparib	146047148	"RBN-2397; Atamparib; 2381037-82-5; UNII-B1MW2ME77A; B1MW2ME77A; 4-[[(2S)-1-[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one; (S)-5-((1-(3-Oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4-(trifluoromethyl)pyridazin-3(2H)-one; RBN2397; Atamparib [INN]; SCHEMBL21521281; BCP33764; EX-A4038; RBN2397;RBN 2397; NSC825956; s8993; NSC-825956; AS-76787; HY-136174; CS-0120272; D97647; A935907; 3(2H)-Pyridazinone, 5-(((1S)-1-methyl-2-(3-oxo-3-(4-(5-(trifluoromethyl)-2-pyrimidinyl)-1-piperazinyl)propoxy)ethyl)amino)-4-(trifluoromethyl)-; 5-(((2S)-1-(3-Oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2- yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4- (trifluoromethyl)pyridazin-3(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	825956	.	.	.	.	523.4	C20H23F6N7O3	112	848	1.2	36	2	14	8	"InChI=1S/C20H23F6N7O3/c1-12(30-14-10-29-31-17(35)16(14)20(24,25)26)11-36-7-2-15(34)32-3-5-33(6-4-32)18-27-8-13(9-28-18)19(21,22)23/h8-10,12H,2-7,11H2,1H3,(H2,30,31,35)/t12-/m0/s1"	C[C@@H](COCCC(=O)N1CCN(CC1)C2=NC=C(C=N2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F	UQZCQKXJAXKZQH-LBPRGKRZSA-N
DG69451	"6-(2-fluorophenyl)-8aH-[1,3]dioxolo[4,5-g]quinolin-8-one"	146157379	CHM1; NSC656158	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656158	.	.	.	.	283.25	C16H10FNO3	47.9	617	2	21	0	5	1	"InChI=1S/C16H10FNO3/c17-11-4-2-1-3-9(11)12-6-14(19)10-5-15-16(21-8-20-15)7-13(10)18-12/h1-7,10H,8H2"	C1OC2=CC3C(=NC(=CC3=O)C4=CC=CC=C4F)C=C2O1	IWHMCWVRNYOBJB-UHFFFAOYSA-N
DG69452	9-Aminocaptothecin lactam	146256655	9-Aminocaptothecin lactam; SCHEMBL21570089; NSC696881; NSC-696881	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696881	.	.	.	.	362.4	C20H18N4O3	109	775	-0.3	27	3	5	1	"InChI=1S/C20H18N4O3/c1-2-20(27)13-7-16-17-10(6-11-14(21)4-3-5-15(11)23-17)9-24(16)18(25)12(13)8-22-19(20)26/h3-7,27H,2,8-9,21H2,1H3,(H,22,26)/t20-/m0/s1"	CC[C@@]1(C2=C(CNC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O	YUMLWEZPEKBHLE-FQEVSTJZSA-N
DG69453	2-[3-[6-ethoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide	146345838	KL-11743; CHEMBL4648818; SCHEMBL21681302; EX-A5804; NSC783733; NSC-783733; HY-145597; 1369452-53-8	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783733	.	.	.	.	522.6	C30H30N6O3	114	763	5.5	39	3	7	10	"InChI=1S/C30H30N6O3/c1-4-38-25-12-13-27-26(15-25)30(34-23-10-8-20(9-11-23)22-16-31-32-17-22)36-29(35-27)21-6-5-7-24(14-21)39-18-28(37)33-19(2)3/h5-17,19H,4,18H2,1-3H3,(H,31,32)(H,33,37)(H,34,35,36)"	CCOC1=CC2=C(C=C1)N=C(N=C2NC3=CC=C(C=C3)C4=CNN=C4)C5=CC(=CC=C5)OCC(=O)NC(C)C	XKOYTLRGOQTKAU-UHFFFAOYSA-N
DG69454	NSC789551	146445413	"5-Chloro-14-methoxy-9-[3-(4-methylpiperazin-1-yl)propyl]-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; SCHEMBL21803676; NSC789551; NSC-789551"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789551	.	.	.	.	452.9	C24H25ClN4O3	66	781	2.2	32	0	6	5	"InChI=1S/C24H25ClN4O3/c1-27-8-10-28(11-9-27)6-3-7-29-22-20(17-5-4-15(25)12-18(17)24(29)31)23(30)19-13-16(32-2)14-26-21(19)22/h4-5,12-14H,3,6-11H2,1-2H3"	CN1CCN(CC1)CCCN2C3=C(C4=C(C2=O)C=C(C=C4)Cl)C(=O)C5=C3N=CC(=C5)OC	CMFCARMWWKUJKJ-UHFFFAOYSA-N
DG69455	"4-amino-1-[(2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-1,3,5-triazin-2-one"	146454552	SCHEMBL21815493; NSC801845; NSC-801845	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801845	.	.	.	.	262.26	C8H11FN4O3S	137	391	-0.7	17	3	5	2	"InChI=1S/C8H11FN4O3S/c9-4-5(15)3(1-14)17-6(4)13-2-11-7(10)12-8(13)16/h2-6,14-15H,1H2,(H2,10,12,16)/t3-,4+,5-,6-/m1/s1"	C1=NC(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](S2)CO)O)F)N	VFMQZGNBWJRHOO-JGWLITMVSA-N
DG69456	KB0742 2HCl	146502834	KB0742 2HCl; KB-0742 2HCl; SCHEMBL21877722; NSC834161; NSC-834161	.	.	Investigative Drug(s)	Investigative	Small molecular drug	834161	.	.	.	.	287.4	C16H25N5	68.2	333	2.6	21	2	4	5	"InChI=1S/C16H25N5/c1-3-11(4-2)14-10-16(19-13-6-5-12(17)9-13)21-15(20-14)7-8-18-21/h7-8,10-13,19H,3-6,9,17H2,1-2H3/t12-,13-/m0/s1"	CCC(CC)C1=NC2=CC=NN2C(=C1)N[C@H]3CC[C@@H](C3)N	VYKCLMALANGCDF-STQMWFEESA-N
DG69457	NSC800373	146585662	4-[[[2-[(1S)-1-[(2-amino-5-cyano-6-methylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]methyl]-N-hydroxybenzamide; CHEMBL4455923; SCHEMBL21980238; BDBM50527615; NSC800373; NSC-800373	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800373	.	.	.	.	575.6	C31H29N9O3	182	1050	4.8	43	5	10	9	"InChI=1S/C31H29N9O3/c1-3-23(36-27-22(16-32)18(2)35-31(33)38-27)28-37-25-11-7-10-24(26(25)30(42)40(28)21-8-5-4-6-9-21)34-17-19-12-14-20(15-13-19)29(41)39-43/h4-15,23,34,43H,3,17H2,1-2H3,(H,39,41)(H3,33,35,36,38)/t23-/m0/s1"	CC[C@@H](C1=NC2=C(C(=CC=C2)NCC3=CC=C(C=C3)C(=O)NO)C(=O)N1C4=CC=CC=C4)NC5=NC(=NC(=C5C#N)C)N	OUFOTOLRWBQNQU-QHCPKHFHSA-N
DG69458	4-[[[2-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]methyl]-N-hydroxybenzamide	146585699	CHEMBL4578757; SCHEMBL21980295; BDBM50527604; NSC800376; NSC-800376	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800376	.	.	.	.	561.6	C30H27N9O3	182	1020	4.4	42	5	10	9	"InChI=1S/C30H27N9O3/c1-2-22(36-27-21(15-31)26(32)34-17-35-27)28-37-24-10-6-9-23(25(24)30(41)39(28)20-7-4-3-5-8-20)33-16-18-11-13-19(14-12-18)29(40)38-42/h3-14,17,22,33,42H,2,16H2,1H3,(H,38,40)(H3,32,34,35,36)/t22-/m0/s1"	CC[C@@H](C1=NC2=C(C(=CC=C2)NCC3=CC=C(C=C3)C(=O)NO)C(=O)N1C4=CC=CC=C4)NC5=NC=NC(=C5C#N)N	VJLNHSPZSRHJHG-QFIPXVFZSA-N
DG69459	"bis[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl] nonanedioate"	146878718	NSC791772; NSC-791772	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791772	.	.	.	.	680.8	C39H52O10	130	1310	5.3	49	0	10	14	"InChI=1S/C39H52O10/c1-24-28-18-16-26(12-10-20-38(3)34(48-38)32(28)46-36(24)42)22-44-30(40)14-8-6-5-7-9-15-31(41)45-23-27-13-11-21-39(4)35(49-39)33-29(19-17-27)25(2)37(43)47-33/h12-13,28-29,32-35H,1-2,5-11,14-23H2,3-4H3/b26-12+,27-13+/t28-,29-,32-,33-,34-,35-,38+,39+/m0/s1"	C[C@]12O[C@H]1[C@H]3OC(=O)C(=C)[C@@H]3CC/C(=C\\CC2)/COC(=O)CCCCCCCC(=O)OC/C/4=C/CC[C@]5(O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4)C	SRFFYBJFKYINMQ-OQYRRNKCSA-N
DG69460	9-Amino-20(S)-glycinyl camptothecin hydrochloride	147646627	NSC671899; NSC-671899; 9-Amino-20(S)-glycinyl camptothecin hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	671899	.	.	.	.	420.4	C22H20N4O5	138	898	0	31	2	8	4	"InChI=1S/C22H20N4O5/c1-2-22(31-18(27)8-23)14-7-17-19-11(6-12-15(24)4-3-5-16(12)25-19)9-26(17)20(28)13(14)10-30-21(22)29/h3-7H,2,8-10,23-24H2,1H3/t22-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)OC(=O)CN	GIRLBXKRNUXODQ-QFIPXVFZSA-N
DG69461	(S)-ErSO	149494441	(S)-ErSO; SCHEMBL22111803; NSC835589; HY-132247B; NSC-835589; CS-0202461; (3S)-3-(4-hydroxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1H-indol-2-one; 2407860-34-6	.	.	Investigative Drug(s)	Investigative	Small molecular drug	835589	.	.	.	.	453.3	C22H13F6NO3	58.6	682	5.7	32	2	9	3	"InChI=1S/C22H13F6NO3/c23-21(24,25)17-3-1-2-16-18(17)29-19(31)20(16,12-4-8-14(30)9-5-12)13-6-10-15(11-7-13)32-22(26,27)28/h1-11,30H,(H,29,31)/t20-/m0/s1"	C1=CC2=C(C(=C1)C(F)(F)F)NC(=O)[C@@]2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OC(F)(F)F	ZFSRXAHDJSCEDS-FQEVSTJZSA-N
DG69462	CID 149494442	149494442	ErSO; 2407860-35-7; SCHEMBL22111761; EX-A5327; NSC835818; NSC-835818; HY-132247; CS-0181930; (3R)-3-(4-hydroxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1H-indol-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	835818	.	.	.	.	453.3	C22H13F6NO3	58.6	682	5.7	32	2	9	3	"InChI=1S/C22H13F6NO3/c23-21(24,25)17-3-1-2-16-18(17)29-19(31)20(16,12-4-8-14(30)9-5-12)13-6-10-15(11-7-13)32-22(26,27)28/h1-11,30H,(H,29,31)/t20-/m1/s1"	C1=CC2=C(C(=C1)C(F)(F)F)NC(=O)[C@]2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OC(F)(F)F	ZFSRXAHDJSCEDS-HXUWFJFHSA-N
DG69463	"N-hydroxy-4-[[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide"	150172046	NSC787282; NSC-787282	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787282	.	.	.	.	417.4	C23H19N3O5	99.2	670	2.6	31	2	5	5	"InChI=1S/C23H19N3O5/c1-31-18-12-10-17(11-13-18)26-22(28)19-4-2-3-5-20(19)25(23(26)29)14-15-6-8-16(9-7-15)21(27)24-30/h2-13,30H,14H2,1H3,(H,24,27)"	COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)C(=O)NO	FJQFVYUHPDSGEB-UHFFFAOYSA-N
DG69464	4-[(6-phenoxypyrimidin-4-yl)amino]-N-(4-piperazin-1-ylphenyl)-1H-pyrazole-5-carboxamide	151772999	NSC799653; NSC-799653	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799653	.	.	.	.	456.5	C24H24N8O2	120	635	3.4	34	4	8	7	"InChI=1S/C24H24N8O2/c33-24(29-17-6-8-18(9-7-17)32-12-10-25-11-13-32)23-20(15-28-31-23)30-21-14-22(27-16-26-21)34-19-4-2-1-3-5-19/h1-9,14-16,25H,10-13H2,(H,28,31)(H,29,33)(H,26,27,30)"	C1CN(CCN1)C2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=CC(=NC=N4)OC5=CC=CC=C5	RSZBDSJQRIEBFQ-UHFFFAOYSA-N
DG69465	(9-Ethylcarbazol-3-yl)-quinolin-5-ylmethanol	151965559	SCHEMBL23148494; NSC780982; NSC-780982	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780982	.	.	.	.	352.4	C24H20N2O	38	511	4.7	27	1	2	3	"InChI=1S/C24H20N2O/c1-2-26-22-11-4-3-7-18(22)20-15-16(12-13-23(20)26)24(27)19-8-5-10-21-17(19)9-6-14-25-21/h3-15,24,27H,2H2,1H3"	CCN1C2=C(C=C(C=C2)C(C3=C4C=CC=NC4=CC=C3)O)C5=CC=CC=C51	TZOSKHBHYRMLGA-UHFFFAOYSA-N
DG69466	E7766 diammonium salt	153278332	2242635-02-3; E7766 diammonium salt; E-7766 diammonium salt; EX-A5557; NSC832046; NSC-832046	.	.	Investigative Drug(s)	Investigative	Small molecular drug	832046	.	.	.	.	746.6	C24H26F2N10O8P2S2	237	1330	1.2	48	4	20	0	"InChI=1S/C24H26F2N10O8P2S2/c25-13-17-11-5-39-46(38,48)44-18-12(6-40-45(37,47)43-17)42-24(14(18)26)36-10-34-16-20(30-8-32-22(16)36)28-4-2-1-3-27-19-15-21(31-7-29-19)35(9-33-15)23(13)41-11/h1-2,7-14,17-18,23-24H,3-6H2,(H,37,47)(H,38,48)(H,27,29,31)(H,28,30,32)/b2-1+/t11-,12-,13-,14-,17-,18-,23-,24-,45 ,46 /m1/s1"	C1/C=C/CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@H]5[C@H](O4)COP(=O)(O[C@@H]6[C@@H](COP(=S)(O5)O)O[C@H]([C@@H]6F)N7C=NC8=C(N1)N=CN=C87)S)F	YQSAUMRQALUWNS-FFGZEONLSA-N
DG69467	"8-[(4-hydroxycyclohexyl)amino]-3-propyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)-2H-isoquinolin-1-one"	153370949	CHEMBL4796520; BDBM50557190; NSC790966; NSC-790966	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790966	.	.	.	.	476.6	C28H36N4O3	96.2	849	4.5	35	3	5	5	"InChI=1S/C28H36N4O3/c1-5-6-19-11-17-12-20(32-23-14-28(3,4)15-24(34)25(23)16(2)31-32)13-22(26(17)27(35)30-19)29-18-7-9-21(33)10-8-18/h11-13,18,21,29,33H,5-10,14-15H2,1-4H3,(H,30,35)"	CCCC1=CC2=CC(=CC(=C2C(=O)N1)NC3CCC(CC3)O)N4C5=C(C(=N4)C)C(=O)CC(C5)(C)C	QRUAXSIQUFUVJC-UHFFFAOYSA-N
DG69468	"8-ethoxy-4-hydroxy-3-(1,3,4-oxadiazol-2-yl)-6-phenyl-2H-2,7-naphthyridin-1-one"	153937438	NSC773102; NSC-773102	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773102	.	.	.	.	350.3	C18H14N4O4	110	563	1.5	26	2	7	4	"InChI=1S/C18H14N4O4/c1-2-25-17-13-11(8-12(20-17)10-6-4-3-5-7-10)15(23)14(21-16(13)24)18-22-19-9-26-18/h3-9,23H,2H2,1H3,(H,21,24)"	CCOC1=C2C(=CC(=N1)C3=CC=CC=C3)C(=C(NC2=O)C4=NN=CO4)O	NYDHPPAJJDOUQW-UHFFFAOYSA-N
DG69469	1-(3-Fluorophenyl)-3-(3-((7-(1-methyl-1H-pyrazol-4-yl)quinazolin-4-yl)amino)phenyl)urea	154573766	SP-96; CHEMBL4799738; 1-(3-Fluorophenyl)-3-(3-((7-(1-methyl-1H-pyrazol-4-yl)quinazolin-4-yl)amino)phenyl)urea; EX-A4312; BDBM50565411; NSC810314; NSC-810314; 2682114-54-9; BS-49238; HY-131339; CS-0133431; E75201	.	.	Investigative Drug(s)	Investigative	Small molecular drug	810314	.	.	.	.	453.5	C25H20FN7O	96.8	684	4	34	3	6	5	"InChI=1S/C25H20FN7O/c1-33-14-17(13-29-33)16-8-9-22-23(10-16)27-15-28-24(22)30-20-6-3-7-21(12-20)32-25(34)31-19-5-2-4-18(26)11-19/h2-15H,1H3,(H,27,28,30)(H2,31,32,34)"	CN1C=C(C=N1)C2=CC3=C(C=C2)C(=NC=N3)NC4=CC(=CC=C4)NC(=O)NC5=CC(=CC=C5)F	CGDYRZUPKPBLND-UHFFFAOYSA-N
DG69470	"(e)-5-Chloro-3-((6-(4-chlorophenyl)-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylene)indolin-2-one"	154584438	"NSC774989; NSC-774989; (e)-5-chloro-3-((6-(4-chlorophenyl)-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylene)indolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774989	.	.	.	.	453.3	C22H14Cl2N4OS	87.5	726	5.4	30	1	4	3	"InChI=1S/C22H14Cl2N4OS/c23-13-5-3-11(4-6-13)19-18(28-22(26-19)30-21(27-28)12-1-2-12)10-16-15-9-14(24)7-8-17(15)25-20(16)29/h3-10,12H,1-2H2,(H,25,29)/b16-10+"	C1CC1C2=NN3C(=C(N=C3S2)C4=CC=C(C=C4)Cl)/C=C/5\\C6=C(C=CC(=C6)Cl)NC5=O	WFDFTEILNYKGEW-MHWRWJLKSA-N
DG69471	"US11014911, Example 13"	154616422	"PF07104091; PF-07104091; 2460249-19-6; SCHEMBL22286775; GTPL11525; BDBM498185; EX-A5350; US11014911, Example 13; NSC832937; NSC-832937; example 13 [WO2020157652]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	832937	.	.	.	.	404.5	C19H28N6O4	123	577	1.2	29	3	6	8	"InChI=1S/C19H28N6O4/c1-11(2)20-19(27)29-14-6-5-12(7-14)15-9-17(23-22-15)21-18(26)16-8-13(10-28-4)24-25(16)3/h8-9,11-12,14H,5-7,10H2,1-4H3,(H,20,27)(H2,21,22,23,26)/t12-,14+/m0/s1"	CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)C2=CC(=NN2)NC(=O)C3=CC(=NN3C)COC	MTNBRBDFNSGQKB-GXTWGEPZSA-N
DG69472	Tuxobertinib	154824631	BDTX-189; tuxobertinib; 2414572-47-5; BDTX189; UNII-6CE2107J4T; 6CE2107J4T; N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-(2-morpholin-4-ylethoxy)quinazolin-6-yl]prop-2-enamide; Tuxobertinib [INN]; CHEMBL4650279; SCHEMBL23450829; GTPL11676; EX-A4379; example 8 [US11034672B1]; NSC828939; s9786; NSC-828939; HY-136789; CS-0133688	.	.	Investigative Drug(s)	Investigative	Small molecular drug	828939	.	.	.	.	561	C29H29ClN6O4	111	805	3.9	40	2	9	11	"InChI=1S/C29H29ClN6O4/c1-2-28(37)35-25-16-22-24(17-27(25)39-14-11-36-9-12-38-13-10-36)32-19-33-29(22)34-20-6-7-26(23(30)15-20)40-18-21-5-3-4-8-31-21/h2-8,15-17,19H,1,9-14,18H2,(H,35,37)(H,32,33,34)"	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)OCCN5CCOCC5	HIBPKFXWOPYJPZ-UHFFFAOYSA-N
DG69473	3-[2-(3-amino-1H-indazol-4-yl)ethynyl]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide	155386677	CHEMBL4794093; SCHEMBL22772358; BDBM50565749; NSC800578; NSC-800578; 3-[2-(3-amino-1H-indazol-4-yl)ethynyl]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800578	.	.	.	.	500.5	C27H19F3N6O	102	886	5.1	37	3	7	5	"InChI=1S/C27H19F3N6O/c1-16-14-36(15-32-16)22-12-20(27(28,29)30)11-21(13-22)33-26(37)19-6-2-4-17(10-19)8-9-18-5-3-7-23-24(18)25(31)35-34-23/h2-7,10-15H,1H3,(H,33,37)(H3,31,34,35)"	CC1=CN(C=N1)C2=CC(=CC(=C2)NC(=O)C3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F	ULSOOODMFMCIIK-UHFFFAOYSA-N
DG69474	N-[3-[2-(3-amino-1H-indazol-4-yl)ethynyl]phenyl]-3-(trifluoromethyl)benzamide	155386678	CHEMBL4791412; SCHEMBL22772359; BDBM50565739; NSC794677; NSC-794677; N-[3-[2-(3-amino-1H-indazol-4-yl)ethynyl]phenyl]-3-(trifluoromethyl)benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794677	.	.	.	.	420.4	C23H15F3N4O	83.8	715	4.9	31	3	6	4	"InChI=1S/C23H15F3N4O/c24-23(25,26)17-7-2-6-16(13-17)22(31)28-18-8-1-4-14(12-18)10-11-15-5-3-9-19-20(15)21(27)30-29-19/h1-9,12-13H,(H,28,31)(H3,27,29,30)"	C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C#CC3=C4C(=CC=C3)NN=C4N	BSVDGQDTPDLQCS-UHFFFAOYSA-N
DG69475	3-[2-(3-amino-1H-indazol-4-yl)ethynyl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide	155386679	SCHEMBL22772360; NSC794678; NSC-794678; 3-[2-(3-amino-1H-indazol-4-yl)ethynyl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794678	.	.	.	.	546.6	C30H29F3N6O	90.3	925	5	40	3	8	7	"InChI=1S/C30H29F3N6O/c1-2-38-13-15-39(16-14-38)19-23-11-12-24(18-25(23)30(31,32)33)35-29(40)22-7-3-5-20(17-22)9-10-21-6-4-8-26-27(21)28(34)37-36-26/h3-8,11-12,17-18H,2,13-16,19H2,1H3,(H,35,40)(H3,34,36,37)"	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F	XAXJKDYUXBSJJT-UHFFFAOYSA-N
DG69476	3-[2-(3-amino-1H-indazol-4-yl)ethynyl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide	155386684	CHEMBL4780226; SCHEMBL22772365; BDBM50565750; NSC800580; NSC-800580; 3-[2-(3-amino-1H-indazol-4-yl)ethynyl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800580	.	.	.	.	532.6	C29H27F3N6O	90.3	910	4.6	39	3	8	6	"InChI=1S/C29H27F3N6O/c1-37-10-12-38(13-11-37)18-20-15-23(29(30,31)32)17-24(16-20)34-28(39)22-6-2-4-19(14-22)8-9-21-5-3-7-25-26(21)27(33)36-35-25/h2-7,14-17H,10-13,18H2,1H3,(H,34,39)(H3,33,35,36)"	CN1CCN(CC1)CC2=CC(=CC(=C2)NC(=O)C3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F	QEWJRTUCCOIWLO-UHFFFAOYSA-N
DG69477	N-[3-[2-(3-amino-1H-indazol-4-yl)ethynyl]phenyl]-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide	155386687	CHEMBL4795268; SCHEMBL22772370; BDBM50565745; NSC806529; NSC-806529; N-[3-[2-(3-amino-1H-indazol-4-yl)ethynyl]phenyl]-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	806529	.	.	.	.	518.5	C28H25F3N6O	90.3	894	4.9	38	3	8	5	"InChI=1S/C28H25F3N6O/c1-36-12-14-37(15-13-36)24-11-10-20(17-22(24)28(29,30)31)27(38)33-21-6-2-4-18(16-21)8-9-19-5-3-7-23-25(19)26(32)35-34-23/h2-7,10-11,16-17H,12-15H2,1H3,(H,33,38)(H3,32,34,35)"	CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F	PMKFHRVILXSTGE-UHFFFAOYSA-N
DG69478	3-[2-(3-amino-1H-indazol-4-yl)ethynyl]-N-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]benzamide	155386698	CHEMBL4776468; SCHEMBL22772382; BDBM50565753; NSC796302; NSC-796302; 3-[2-(3-amino-1H-indazol-4-yl)ethynyl]-N-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	796302	.	.	.	.	519.5	C28H24F3N5O2	96.3	883	4.4	38	3	8	6	"InChI=1S/C28H24F3N5O2/c29-28(30,31)23-16-22(10-9-21(23)17-36-11-13-38-14-12-36)33-27(37)20-5-1-3-18(15-20)7-8-19-4-2-6-24-25(19)26(32)35-34-24/h1-6,9-10,15-16H,11-14,17H2,(H,33,37)(H3,32,34,35)"	C1COCCN1CC2=C(C=C(C=C2)NC(=O)C3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F	GJNWPXMEFQRJIZ-UHFFFAOYSA-N
DG69479	N-[3-[2-(3-amino-1H-indazol-4-yl)ethynyl]phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide	155400340	CHEMBL4793906; SCHEMBL22788745; BDBM50565746; NSC800577; NSC-800577; N-[3-[2-(3-amino-1H-indazol-4-yl)ethynyl]phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800577	.	.	.	.	505.5	C27H22F3N5O2	96.3	867	4.7	37	3	8	5	"InChI=1S/C27H22F3N5O2/c28-27(29,30)21-16-19(9-10-23(21)35-11-13-37-14-12-35)26(36)32-20-5-1-3-17(15-20)7-8-18-4-2-6-22-24(18)25(31)34-33-22/h1-6,9-10,15-16H,11-14H2,(H,32,36)(H3,31,33,34)"	C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F	JKZZCHSVFXZBAI-UHFFFAOYSA-N
DG69480	3-[2-(3-amino-1H-indazol-4-yl)ethynyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide	155400359	CHEMBL4794284; SCHEMBL22788769; BDBM50565751; NSC797904; NSC-797904; 3-[2-(3-amino-1H-indazol-4-yl)ethynyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797904	.	.	.	.	519.5	C28H24F3N5O2	96.3	883	4.4	38	3	8	6	"InChI=1S/C28H24F3N5O2/c29-28(30,31)22-14-19(17-36-9-11-38-12-10-36)15-23(16-22)33-27(37)21-5-1-3-18(13-21)7-8-20-4-2-6-24-25(20)26(32)35-34-24/h1-6,13-16H,9-12,17H2,(H,33,37)(H3,32,34,35)"	C1COCCN1CC2=CC(=CC(=C2)NC(=O)C3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F	GYTPDENASJFHSZ-UHFFFAOYSA-N
DG69481	"8-[(2E)-2-(4-bromophenyl)-2-hydroxyiminoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione"	155514128	CHEMBL4439837; BDBM50524647; NSC797081; NSC-797081	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797081	.	.	.	.	424.3	C15H14BrN5O3S	127	569	2.8	25	2	6	4	"InChI=1S/C15H14BrN5O3S/c1-20-12-11(13(22)21(2)15(20)23)17-14(18-12)25-7-10(19-24)8-3-5-9(16)6-4-8/h3-6,24H,7H2,1-2H3,(H,17,18)/b19-10-"	CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC/C(=N/O)/C3=CC=C(C=C3)Br	QMERXYUTIZNTAX-GRSHGNNSSA-N
DG69482	NSC807322	155519794	"4-[[[2-[(1S)-1-[(2,6-diamino-5-chloropyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]methyl]-N-hydroxybenzamide; CHEMBL4448226; BDBM50527636; NSC807322; NSC-807322"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	807322	.	.	.	.	586	C29H28ClN9O3	184	959	4.4	42	6	10	9	"InChI=1S/C29H28ClN9O3/c1-2-19(34-25-23(30)24(31)36-29(32)37-25)26-35-21-10-6-9-20(22(21)28(41)39(26)18-7-4-3-5-8-18)33-15-16-11-13-17(14-12-16)27(40)38-42/h3-14,19,33,42H,2,15H2,1H3,(H,38,40)(H5,31,32,34,36,37)/t19-/m0/s1"	CC[C@@H](C1=NC2=C(C(=CC=C2)NCC3=CC=C(C=C3)C(=O)NO)C(=O)N1C4=CC=CC=C4)NC5=NC(=NC(=C5Cl)N)N	WJZZIPRWQAQGPT-IBGZPJMESA-N
DG69483	"5-[2-(dimethylamino)ethylsulfanyl]-3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine"	155534977	CHEMBL4470943; BDBM50521564; NSC787979; NSC-787979	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787979	.	.	.	.	447.6	C24H29N7S	108	555	4.4	32	2	7	9	"InChI=1S/C24H29N7S/c1-16(2)20-21-22(30-29-20)23(28-24(27-21)32-14-13-31(3)4)26-15-17-8-10-18(11-9-17)19-7-5-6-12-25-19/h5-12,16H,13-15H2,1-4H3,(H,29,30)(H,26,27,28)"	CC(C)C1=C2C(=NN1)C(=NC(=N2)SCCN(C)C)NCC3=CC=C(C=C3)C4=CC=CC=N4	ATVDZMPSVWPAQR-UHFFFAOYSA-N
DG69484	"3-[4-Hydroxy-2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one"	155545598	CHEMBL4529472; NSC783155; NSC-783155	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783155	.	.	.	.	560.6	C32H24N4O4S	125	1200	5.9	41	1	8	6	"InChI=1S/C32H24N4O4S/c1-39-22-11-9-19(10-12-22)27-17-26(21-8-7-18-5-3-4-6-20(18)15-21)35-36(27)32-34-31(38)29(41-32)28-24-16-23(40-2)13-14-25(24)33-30(28)37/h3-16,27,38H,17H2,1-2H3"	COC1=CC=C(C=C1)C2CC(=NN2C3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)OC)O)C6=CC7=CC=CC=C7C=C6	JZFJTJAQQYXTQB-UHFFFAOYSA-N
DG69485	"5-Chloro-3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]indol-2-one"	155556421	CHEMBL4555219; NSC783154; NSC-783154	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783154	.	.	.	.	565	C31H21ClN4O3S	116	1190	6.6	40	1	7	5	"InChI=1S/C31H21ClN4O3S/c1-39-22-11-8-18(9-12-22)26-16-25(20-7-6-17-4-2-3-5-19(17)14-20)35-36(26)31-34-30(38)28(40-31)27-23-15-21(32)10-13-24(23)33-29(27)37/h2-15,26,38H,16H2,1H3"	COC1=CC=C(C=C1)C2CC(=NN2C3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)Cl)O)C6=CC7=CC=CC=C7C=C6	CSPZQNIRJZLJQO-UHFFFAOYSA-N
DG69486	"(E)-3-[3-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]-4-methoxyphenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	155562274	CHEMBL4582520; NSC765798; NSC-765798	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765798	.	.	.	.	533.5	C29H28FN3O6	93.9	768	4.5	39	0	9	12	"InChI=1S/C29H28FN3O6/c1-35-25-12-8-19(7-11-24(34)21-14-27(36-2)29(38-4)28(15-21)37-3)13-26(25)39-18-23-17-33(32-31-23)16-20-5-9-22(30)10-6-20/h5-15,17H,16,18H2,1-4H3/b11-7+"	COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC3=CN(N=N3)CC4=CC=C(C=C4)F	HWQWYLLNZGNMJS-YRNVUSSQSA-N
DG69487	"N-(1,3-benzothiazol-6-yl)-2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]acetamide"	155565464	CHEMBL4580281; NSC761409; NSC-761409	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761409	.	.	.	.	499.6	C27H25N5O3S	114	819	3.4	36	1	7	6	"InChI=1S/C27H25N5O3S/c33-24(29-19-7-8-22-23(15-19)36-17-28-22)16-31-11-9-30(10-12-31)13-14-32-26(34)20-5-1-3-18-4-2-6-21(25(18)20)27(32)35/h1-8,15,17H,9-14,16H2,(H,29,33)"	C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(=O)NC5=CC6=C(C=C5)N=CS6	AYJXNNDSGPWNSJ-UHFFFAOYSA-N
DG69488	"Benzyl 4-(1,3-benzodioxol-5-yl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate"	155566452	CHEMBL4587172; NSC812015; NSC-812015	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812015	.	.	.	.	439.5	C26H21N3O4	74.6	767	4.8	33	1	6	5	"InChI=1S/C26H21N3O4/c1-16-23(25(30)31-14-17-7-3-2-4-8-17)24(18-11-12-21-22(13-18)33-15-32-21)29-20-10-6-5-9-19(20)28-26(29)27-16/h2-13,24H,14-15H2,1H3,(H,27,28)"	CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC5=C(C=C4)OCO5)C(=O)OCC6=CC=CC=C6	UNMFUUKJUSXOAH-UHFFFAOYSA-N
DG69489	CID 155587867	155587867	"M4205; 2590556-80-0; M-4205; SCHEMBL22918830; GTPL11510; EX-A5351; NSC832522; NSC-832522; HY-132166; CS-0163532; N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	832522	.	.	.	.	508.6	C29H32N8O	85.4	715	4.3	38	1	7	10	"InChI=1S/C29H32N8O/c1-35-20-24(18-34-35)23-7-5-22(6-8-23)17-30-28-16-26(32-21-33-28)27-19-31-29-15-25(9-13-37(27)29)38-14-4-12-36-10-2-3-11-36/h5-9,13,15-16,18-21H,2-4,10-12,14,17H2,1H3,(H,30,32,33)"	CN1C=C(C=N1)C2=CC=C(C=C2)CNC3=NC=NC(=C3)C4=CN=C5N4C=CC(=C5)OCCCN6CCCC6	LVMAULGVWBINFP-UHFFFAOYSA-N
DG69490	NSC833390	155687064	"[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-2-chloro-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(4-methoxyoxan-4-yl)methanone; RMC-0331; 2488788-52-7; RMC0331; EX-A5615; NSC833390; NSC-833390; HY-134885; CS-0161754"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	833390	.	.	.	.	499.9	C22H25ClF3N5O3	103	726	2.6	34	2	10	5	"InChI=1S/C22H25ClF3N5O3/c1-12(13-7-14(22(24,25)26)9-15(27)8-13)28-18-16-10-31(11-17(16)29-20(23)30-18)19(32)21(33-2)3-5-34-6-4-21/h7-9,12H,3-6,10-11,27H2,1-2H3,(H,28,29,30)/t12-/m1/s1"	C[C@H](C1=CC(=CC(=C1)N)C(F)(F)F)NC2=NC(=NC3=C2CN(C3)C(=O)C4(CCOCC4)OC)Cl	HOBOGRTXXDLZIB-GFCCVEGCSA-N
DG69491	"N6-(4-methylpyridin-2-yl)-N2-(2-morpholinoethyl)-3-nitropyridine-2,6-diamine"	155804527	"NSC780958; NSC-780958; N6-(4-methylpyridin-2-yl)-N2-(2-morpholinoethyl)-3-nitropyridine-2,6-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780958	.	.	.	.	358.4	C17H22N6O3	108	443	2.7	26	2	8	6	"InChI=1S/C17H22N6O3/c1-13-4-5-18-16(12-13)20-15-3-2-14(23(24)25)17(21-15)19-6-7-22-8-10-26-11-9-22/h2-5,12H,6-11H2,1H3,(H2,18,19,20,21)"	CC1=CC(=NC=C1)NC2=NC(=C(C=C2)[N+](=O)[O-])NCCN3CCOCC3	OAEWOLLUOVFYIT-UHFFFAOYSA-N
DG69492	"(10E)-6-(4-chlorophenyl)-10-[(4-chlorophenyl)methylidene]-5,6,6a,7,8,9-hexahydrobenzo[b][1,4]benzodiazepine"	155804956	NSC763271; NSC-763271	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763271	.	.	.	.	433.4	C26H22Cl2N2	24.4	643	7.2	30	1	2	2	"InChI=1S/C26H22Cl2N2/c27-20-12-8-17(9-13-20)16-19-4-3-5-22-25(18-10-14-21(28)15-11-18)29-23-6-1-2-7-24(23)30-26(19)22/h1-2,6-16,22,25,29H,3-5H2/b19-16+"	C1CC2C(NC3=CC=CC=C3N=C2/C(=C/C4=CC=C(C=C4)Cl)/C1)C5=CC=C(C=C5)Cl	LQKIXZKXLFKWJB-KNTRCKAVSA-N
DG69493	"4-Methoxy-7-phenyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine"	155804975	NSC754811; NSC-754811	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754811	.	.	.	.	345.4	C21H19N3O2	49.2	424	3.7	26	0	4	6	"InChI=1S/C21H19N3O2/c1-25-21-20-19(22-14-23-21)18(17-10-6-3-7-11-17)12-24(20)15-26-13-16-8-4-2-5-9-16/h2-12,14H,13,15H2,1H3"	COC1=NC=NC2=C1N(C=C2C3=CC=CC=C3)COCC4=CC=CC=C4	IQEMGHFNSAHCHO-UHFFFAOYSA-N
DG69494	"4-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole"	155805042	NSC760313; NSC-760313	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760313	.	.	.	.	410.3	C18H12BrN5S	87.6	496	3.7	25	1	4	2	"InChI=1S/C18H12BrN5S/c1-24-8-14(12-5-10(19)6-22-17(12)24)15-9-25-18(23-15)13-7-21-16-11(13)3-2-4-20-16/h2-9H,1H3,(H,20,21)"	CN1C=C(C2=C1N=CC(=C2)Br)C3=CSC(=N3)C4=CNC5=C4C=CC=N5	BDODDYMVFYSHKH-UHFFFAOYSA-N
DG69495	"7-(Benzenesulfonyl)-6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-e][1,3]benzothiazol-2-amine"	155805045	CHEMBL4780878; NSC766949; NSC-766949	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766949	.	.	.	.	497.6	C24H23N3O5S2	142	791	4.1	34	1	8	6	"InChI=1S/C24H23N3O5S2/c1-30-18-11-14(12-19(31-2)23(18)32-3)22-16-9-10-20-21(26-24(25)33-20)17(16)13-27(22)34(28,29)15-7-5-4-6-8-15/h4-8,11-13H,9-10H2,1-3H3,(H2,25,26)"	COC1=CC(=CC(=C1OC)OC)C2=C3CCC4=C(C3=CN2S(=O)(=O)C5=CC=CC=C5)N=C(S4)N	DKXPWQAVAWSGSO-UHFFFAOYSA-N
DG69496	"3,6-Dimethoxy-1,8,12-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one"	155805046	NSC754587; NSC-754587	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754587	.	.	.	.	295.29	C16H13N3O3	65.4	446	1.8	22	1	4	2	"InChI=1S/C16H13N3O3/c1-21-10-5-6-11(22-2)14-13(10)18-16(20)15-12-9(8-19(14)15)4-3-7-17-12/h3-8H,1-2H3,(H,18,20)"	COC1=C2C(=C(C=C1)OC)N3C=C4C=CC=NC4=C3C(=O)N2	XFTOTOMDBOCAAE-UHFFFAOYSA-N
DG69497	"Ethyl 13-benzyl-11-chloro-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-12-carboxylate"	155805049	CHEMBL4760425; NSC766937; NSC-766937	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766937	.	.	.	.	370.8	C20H19ClN2O3	57.3	499	4.4	26	0	4	5	"InChI=1S/C20H19ClN2O3/c1-2-25-20(24)18-16(21)15-10-6-9-14-11-22-26-19(14)17(15)23(18)12-13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10,12H2,1H3"	CCOC(=O)C1=C(C2=C(N1CC3=CC=CC=C3)C4=C(CCC2)C=NO4)Cl	XFRCWADOUXNVLL-UHFFFAOYSA-N
DG69498	"7-Benzyl-6,8-dibromo-4,5-dihydropyrrolo[3,4-e][1,3]benzothiazol-2-amine"	155805050	CHEMBL4788284; NSC766941; NSC-766941	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766941	.	.	.	.	439.2	C16H13Br2N3S	72.1	407	5	22	1	3	2	"InChI=1S/C16H13Br2N3S/c17-14-10-6-7-11-13(20-16(19)22-11)12(10)15(18)21(14)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,19,20)"	C1CC2=C(C3=C(N(C(=C31)Br)CC4=CC=CC=C4)Br)N=C(S2)N	KWZXCRJDJIDXDP-UHFFFAOYSA-N
DG69499	"Quino[2',3':3,4]pyrrolo[1,2-b][2,7]naphthyridine-3,14-dione, 2-[2-(dimethylamino)ethyl]-4-hydroxy-"	155805054	"NSC682297; NSC-682297; Quino[2',3':3,4]pyrrolo[1,2-b][2,7]naphthyridine- 3,14-dione, 2-[2-(dimethylamino)ethyl]-4-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682297	.	.	.	.	418.5	C24H26N4O3	77	850	0.6	31	1	5	4	"InChI=1S/C24H26N4O3/c1-4-24(31)18-12-20-21-16(11-15-7-5-6-8-19(15)25-21)13-28(20)22(29)17(18)14-27(23(24)30)10-9-26(2)3/h5-8,11-12,31H,4,9-10,13-14H2,1-3H3/t24-/m0/s1"	CC[C@@]1(C2=C(CN(C1=O)CCN(C)C)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	OURVDKXUGAAWJV-DEOSSOPVSA-N
DG69500	"(S)-10,11-Methelenedioxycamptothecin lactam"	155805055	"NSC690391; NSC-690391; (S)-10,11-Methelenedioxycamptothecin lactam"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	690391	.	.	.	.	391.4	C21H17N3O5	101	853	0.2	29	2	6	1	"InChI=1S/C21H17N3O5/c1-2-21(27)13-5-15-18-11(8-24(15)19(25)12(13)7-22-20(21)26)3-10-4-16-17(29-9-28-16)6-14(10)23-18/h3-6,27H,2,7-9H2,1H3,(H,22,26)/t21-/m0/s1"	CC[C@@]1(C2=C(CNC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C6C(=CC5=C4)OCO6)O	TUZDSEBWMNWAIZ-NRFANRHFSA-N
DG69501	"methyl (5Z)-5-[[3-ethoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrole-3-carboxylate"	155805076	NSC755117; NSC-755117	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755117	.	.	.	.	339.4	C19H21N3O3	79.5	623	2	25	2	4	6	"InChI=1S/C19H21N3O3/c1-5-25-17-10-15(13-7-6-8-20-13)22-16(17)9-14-11(2)18(12(3)21-14)19(23)24-4/h6-10,20,22H,5H2,1-4H3/b14-9-"	CCOC1=C(NC(=C1)C2=CC=CN2)/C=C\\3/C(=C(C(=N3)C)C(=O)OC)C	JYBJHILCJYZCGV-ZROIWOOFSA-N
DG69502	3-[(Z)-[2-(4-fluorophenyl)benzimidazol-5-ylidene]methyl]-5-methoxy-1H-indol-2-ol	155805099	NSC763617; NSC-763617	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763617	.	.	.	.	385.4	C23H16FN3O2	70	807	4.3	29	2	4	3	"InChI=1S/C23H16FN3O2/c1-29-16-7-9-19-17(12-16)18(23(28)27-19)10-13-2-8-20-21(11-13)26-22(25-20)14-3-5-15(24)6-4-14/h2-12,27-28H,1H3/b13-10-"	COC1=CC2=C(C=C1)NC(=C2/C=C\\3/C=CC4=NC(=NC4=C3)C5=CC=C(C=C5)F)O	KVRYKUABQGZXSC-RAXLEYEMSA-N
DG69503	"1-(4-methoxyphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole"	155805104	NSC764568; NSC-764568	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764568	.	.	.	.	404.5	C26H20N4O	66.6	623	5.6	31	2	3	3	"InChI=1S/C26H20N4O/c1-15-7-12-21-22(13-15)30-26(29-21)23-14-19-18-5-3-4-6-20(18)27-25(19)24(28-23)16-8-10-17(31-2)11-9-16/h3-14,27H,1-2H3,(H,29,30)"	CC1=CC2=C(C=C1)N=C(N2)C3=NC(=C4C(=C3)C5=CC=CC=C5N4)C6=CC=C(C=C6)OC	NOIWXSZLBOAAHU-UHFFFAOYSA-N
DG69504	"5-chloro-3-[(Z)-[1-(3,5-dimethoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol"	155805106	NSC761834; NSC-761834	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761834	.	.	.	.	481.9	C28H20ClN3O3	79.2	934	5.6	35	2	5	4	"InChI=1S/C28H20ClN3O3/c1-34-18-9-15(10-19(14-18)35-2)26-27-22(20-5-3-4-6-24(20)31-27)12-17(30-26)13-23-21-11-16(29)7-8-25(21)32-28(23)33/h3-14,32-33H,1-2H3/b17-13-"	COC1=CC(=CC(=C1)C2=N/C(=C\\C3=C(NC4=C3C=C(C=C4)Cl)O)/C=C5C2=NC6=CC=CC=C65)OC	QILUGWVVEUGDFM-LGMDPLHJSA-N
DG69505	(3E)-5-methoxy-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one	155805131	NSC763663; NSC-763663	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763663	.	.	.	.	320.3	C19H16N2O3	63.4	521	3	24	2	3	3	"InChI=1S/C19H16N2O3/c1-23-12-3-5-17-14(8-12)11(10-20-17)7-16-15-9-13(24-2)4-6-18(15)21-19(16)22/h3-10,20H,1-2H3,(H,21,22)/b16-7+"	COC1=CC2=C(C=C1)NC=C2/C=C/3\\C4=C(C=CC(=C4)OC)NC3=O	AUIOIYNOQUKXNU-FRKPEAEDSA-N
DG69506	(E)-N-[4-[(10-oxoanthracen-9-ylidene)methyl]phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide	155805134	NSC761407; NSC-761407	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761407	.	.	.	.	495.5	C31H20F3NO2	46.2	849	7.1	37	1	5	4	"InChI=1S/C31H20F3NO2/c32-31(33,34)22-14-9-20(10-15-22)13-18-29(36)35-23-16-11-21(12-17-23)19-28-24-5-1-3-7-26(24)30(37)27-8-4-2-6-25(27)28/h1-19H,(H,35,36)/b18-13+"	C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)NC(=O)/C=C/C4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5C2=O	KXUWYIPBSNEOFZ-QGOAFFKASA-N
DG69507	"6-Methoxy-1-naphthalen-1-yl-2-phenylimidazo[2,1-b][1,3]benzothiazole"	155805137	NSC755307; NSC-755307	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755307	.	.	.	.	406.5	C26H18N2OS	54.8	596	7.8	30	0	3	3	"InChI=1S/C26H18N2OS/c1-29-19-14-15-22-23(16-19)30-26-27-24(18-9-3-2-4-10-18)25(28(22)26)21-13-7-11-17-8-5-6-12-20(17)21/h2-16H,1H3"	COC1=CC2=C(C=C1)N3C(=C(N=C3S2)C4=CC=CC=C4)C5=CC=CC6=CC=CC=C65	WJWRXQBAOPPQDE-UHFFFAOYSA-N
DG69508	"3-amino-N-(3-bromophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide"	155805166	NSC768314; NSC-768314	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768314	.	.	.	.	416.3	C18H14BrN3O2S	113	548	4.1	25	2	5	2	"InChI=1S/C18H14BrN3O2S/c19-9-3-1-4-10(7-9)21-17(24)16-15(20)12-8-11-13(22-18(12)25-16)5-2-6-14(11)23/h1,3-4,7-8H,2,5-6,20H2,(H,21,24)"	C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC(=CC=C4)Br)N)C(=O)C1	BFWHJXLXKCELIV-UHFFFAOYSA-N
DG69509	"3-amino-5-hydroxy-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	155805194	NSC771536; NSC-771536	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771536	.	.	.	.	339.4	C18H17N3O2S	117	471	3.2	24	3	5	2	"InChI=1S/C18H17N3O2S/c19-15-12-9-11-13(7-4-8-14(11)22)21-18(12)24-16(15)17(23)20-10-5-2-1-3-6-10/h1-3,5-6,9,14,22H,4,7-8,19H2,(H,20,23)"	C1CC(C2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)NC4=CC=CC=C4)N)O	QEJZRMIQWUHIHH-UHFFFAOYSA-N
DG69510	(2Z)-5-methoxy-2-[(5-nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one	155805210	NSC772288; NSC-772288	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772288	.	.	.	.	303.29	C14H9NO5S	110	475	3.4	21	0	6	2	"InChI=1S/C14H9NO5S/c1-19-8-2-4-11-10(6-8)14(16)12(20-11)7-9-3-5-13(21-9)15(17)18/h2-7H,1H3/b12-7-"	COC1=CC2=C(C=C1)O/C(=C\\C3=CC=C(S3)[N+](=O)[O-])/C2=O	FHHMWWQVMIUJDG-GHXNOFRVSA-N
DG69511	"9,10-Dimethoxy-7-oxo-6-phenylisoindolo[1,2-d][1,5]benzoxazepine-12-carbonitrile"	155805232	NSC773195; NSC-773195	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773195	.	.	.	.	410.4	C25H18N2O4	73.5	714	5.1	31	0	5	3	"InChI=1S/C25H18N2O4/c1-29-21-12-16-17(13-22(21)30-2)23-24(28)25(15-8-4-3-5-9-15)31-20-11-7-6-10-18(20)27(23)19(16)14-26/h3-13,25H,1-2H3"	COC1=CC2=C(N3C4=CC=CC=C4OC(C(=O)C3=C2C=C1OC)C5=CC=CC=C5)C#N	HUFVQPGNJGRLJH-UHFFFAOYSA-N
DG69512	NSC774982	155805256	"(3E)-5-fluoro-3-[[6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1H-indol-2-one; NSC774982; NSC-774982"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774982	.	.	.	.	558.6	C29H23FN4O5S	124	924	5.2	40	1	9	7	"InChI=1S/C29H23FN4O5S/c1-36-18-8-5-15(6-9-18)25-22(14-20-19-13-17(30)7-10-21(19)31-27(20)35)34-29(32-25)40-28(33-34)16-11-23(37-2)26(39-4)24(12-16)38-3/h5-14H,1-4H3,(H,31,35)/b20-14+"	COC1=CC=C(C=C1)C2=C(N3C(=N2)SC(=N3)C4=CC(=C(C(=C4)OC)OC)OC)/C=C/5\\C6=C(C=CC(=C6)F)NC5=O	WQOZLWSKOKEMKF-XSFVSMFZSA-N
DG69513	NSC775029	155805259	"15-Benzylsulfanyl-13-pyridin-3-yl-10-thia-12,14,16,17-tetrazatetracyclo[9.7.0.02,9.014,18]octadeca-1(11),2(9),12,15,17-pentaene; NSC775029; NSC-775029"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775029	.	.	.	.	457.6	C25H23N5S2	110	617	7.1	32	0	6	4	"InChI=1S/C25H23N5S2/c1-2-7-13-20-19(12-6-1)21-23-28-29-25(31-16-17-9-4-3-5-10-17)30(23)22(27-24(21)32-20)18-11-8-14-26-15-18/h3-5,8-11,14-15H,1-2,6-7,12-13,16H2"	C1CCCC2=C(CC1)C3=C(S2)N=C(N4C3=NN=C4SCC5=CC=CC=C5)C6=CN=CC=C6	WBMYZGRNQVNSES-UHFFFAOYSA-N
DG69514	"[3-amino-5-(2-cyclopropylethynyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone"	155805296	NSC777179; NSC-777179	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777179	.	.	.	.	420.5	C24H24N2O5	95.8	699	4.8	31	2	6	7	"InChI=1S/C24H24N2O5/c1-28-18-12-17-16(9-14(18)8-7-13-5-6-13)21(25)22(26-17)23(27)15-10-19(29-2)24(31-4)20(11-15)30-3/h9-13,26H,5-6,25H2,1-4H3"	COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C3=C(N2)C=C(C(=C3)C#CC4CC4)OC)N	LNJZRZNHLLWWGM-UHFFFAOYSA-N
DG69515	"1-methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine"	155805321	NSC778410; NSC-778410	.	.	Investigative Drug(s)	Investigative	Small molecular drug	778410	.	.	.	.	327.4	C20H17N5	51.4	443	2.7	25	1	2	2	"InChI=1S/C20H17N5/c1-24-11-15(13-5-3-9-21-19(13)24)17-7-8-18(23-17)16-12-25(2)20-14(16)6-4-10-22-20/h3-12,23H,1-2H3"	CN1C=C(C2=C1N=CC=C2)C3=CC=C(N3)C4=CN(C5=C4C=CC=N5)C	RVCGJSPHBMELOP-UHFFFAOYSA-N
DG69516	"(E)-1-(4-hydroxyphenyl)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]prop-2-en-1-one"	155805339	NSC780175; NSC-780175	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780175	.	.	.	.	448.5	C26H24O7	91.3	656	4.6	33	1	7	9	"InChI=1S/C26H24O7/c1-30-22-12-8-18(13-17(22)7-11-21(28)16-5-9-20(27)10-6-16)25(29)19-14-23(31-2)26(33-4)24(15-19)32-3/h5-15,27H,1-4H3/b11-7+"	COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)/C=C/C(=O)C3=CC=C(C=C3)O	SUDDSSVWGPNPSK-YRNVUSSQSA-N
DG69517	"(3R)-4-[(1R)-1-(4-chloro-2-nitrophenyl)ethyl]-3-(4-chlorophenyl)-7-iodo-1,3-dihydro-1,4-benzodiazepine-2,5-dione"	155805350	NSC756877; NSC-756877	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756877	.	.	.	.	596.2	C23H16Cl2IN3O4	95.2	761	5.7	33	1	4	3	"InChI=1S/C23H16Cl2IN3O4/c1-12(17-8-6-15(25)10-20(17)29(32)33)28-21(13-2-4-14(24)5-3-13)22(30)27-19-9-7-16(26)11-18(19)23(28)31/h2-12,21H,1H3,(H,27,30)/t12-,21-/m1/s1"	C[C@H](C1=C(C=C(C=C1)Cl)[N+](=O)[O-])N2[C@@H](C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CC=C(C=C4)Cl	XYUHIXKFZFMJSI-XUSGNXJCSA-N
DG69518	"Ethyl [4-(3-hydroxy-2,4-dimethoxybenzoyl)-2,6-dimethoxyphenyl] carbonate"	155805381	NSC797556; NSC-797556	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797556	.	.	.	.	406.4	C20H22O9	110	526	3.3	29	1	9	10	"InChI=1S/C20H22O9/c1-6-28-20(23)29-19-14(25-3)9-11(10-15(19)26-4)16(21)12-7-8-13(24-2)17(22)18(12)27-5/h7-10,22H,6H2,1-5H3"	CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)C2=C(C(=C(C=C2)OC)O)OC)OC	JGAUFXFBWJQBOE-UHFFFAOYSA-N
DG69519	"4-[2-[(2,6-Dichlorophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]butanoic acid"	155805412	NSC780720; NSC-780720	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780720	.	.	.	.	429.3	C17H14Cl2N2O3S2	124	568	4.4	26	1	6	7	"InChI=1S/C17H14Cl2N2O3S2/c18-11-3-1-4-12(19)10(11)9-26-17-20-13-6-8-25-15(13)16(24)21(17)7-2-5-14(22)23/h1,3-4,6,8H,2,5,7,9H2,(H,22,23)"	C1=CC(=C(C(=C1)Cl)CSC2=NC3=C(C(=O)N2CCCC(=O)O)SC=C3)Cl	NUFUXLJPXPEOFQ-UHFFFAOYSA-N
DG69520	"(5,10,11-Trimethylpyrido[3,4-b]carbazol-7-yl)methanol"	155805418	NSC790091; NSC-790091	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790091	.	.	.	.	290.4	C19H18N2O	38	414	3.4	22	1	2	1	"InChI=1S/C19H18N2O/c1-11-14-6-7-20-9-16(14)12(2)19-18(11)15-8-13(10-22)4-5-17(15)21(19)3/h4-9,22H,10H2,1-3H3"	CC1=C2C=CN=CC2=C(C3=C1C4=C(N3C)C=CC(=C4)CO)C	XTLGSAQUBLLZQB-UHFFFAOYSA-N
DG69521	"4-(Benzimidazol-1-yl)-8-methoxy-6,11-dimethyl-5,6-dihydropyrimido[4,5-b][1]benzazepine"	155805455	NSC782548; NSC-782548	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782548	.	.	.	.	371.4	C22H21N5O	56.1	547	4.3	28	0	5	2	"InChI=1S/C22H21N5O/c1-14-10-17-21(26(2)19-9-8-15(28-3)11-16(14)19)23-12-24-22(17)27-13-25-18-6-4-5-7-20(18)27/h4-9,11-14H,10H2,1-3H3"	CC1CC2=C(N=CN=C2N(C3=C1C=C(C=C3)OC)C)N4C=NC5=CC=CC=C54	VSNUFFDGOMOKCA-UHFFFAOYSA-N
DG69522	"8-Methoxy-6,11-dimethyl-4-(5-methylbenzimidazol-1-yl)-5,6-dihydropyrimido[4,5-b][1]benzazepine"	155805528	NSC788712; NSC-788712	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788712	.	.	.	.	385.5	C23H23N5O	56.1	576	4.7	29	0	5	2	"InChI=1S/C23H23N5O/c1-14-5-7-21-19(9-14)26-13-28(21)23-18-10-15(2)17-11-16(29-4)6-8-20(17)27(3)22(18)24-12-25-23/h5-9,11-13,15H,10H2,1-4H3"	CC1CC2=C(N=CN=C2N(C3=C1C=C(C=C3)OC)C)N4C=NC5=C4C=CC(=C5)C	IKISRXNVZCUHAM-UHFFFAOYSA-N
DG69523	NSC797584	155805574	"(E)-3-(3-methoxyphenyl)-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]prop-2-enamide; NSC797584; NSC-797584"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797584	.	.	.	.	423.5	C25H29NO5	77.2	787	3.1	31	1	5	5	"InChI=1S/C25H29NO5/c1-16-20-11-9-18(7-5-13-25(2)23(31-25)22(20)30-24(16)28)15-26-21(27)12-10-17-6-4-8-19(14-17)29-3/h4,6-8,10,12,14,20,22-23H,1,5,9,11,13,15H2,2-3H3,(H,26,27)/b12-10+,18-7+/t20-,22-,23-,25+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CNC(=O)/C=C/C4=CC(=CC=C4)OC	GIHYBEFRNLREGZ-BSDSBLNBSA-N
DG69524	"6-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine"	155805682	NSC780957; NSC-780957	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780957	.	.	.	.	371.4	C19H25N5O3	95.2	459	3.8	27	2	7	6	"InChI=1S/C19H25N5O3/c1-14-11-15(2)13-16(12-14)21-18-4-3-17(24(25)26)19(22-18)20-5-6-23-7-9-27-10-8-23/h3-4,11-13H,5-10H2,1-2H3,(H2,20,21,22)"	CC1=CC(=CC(=C1)NC2=NC(=C(C=C2)[N+](=O)[O-])NCCN3CCOCC3)C	UIZNRSGQTXFMOF-UHFFFAOYSA-N
DG69525	NSC797881	155805684	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[2-(5-chloro-1H-indol-3-yl)ethyl]carbamate; NSC797881; NSC-797881"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797881	.	.	.	.	485	C26H29ClN2O5	93	862	4.2	34	2	5	6	"InChI=1S/C26H29ClN2O5/c1-15-19-7-5-16(4-3-10-26(2)23(34-26)22(19)33-24(15)30)14-32-25(31)28-11-9-17-13-29-21-8-6-18(27)12-20(17)21/h4,6,8,12-13,19,22-23,29H,1,3,5,7,9-11,14H2,2H3,(H,28,31)/b16-4+/t19-,22-,23-,26+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCCC4=CNC5=C4C=C(C=C5)Cl	RMYMJPCAKIETMC-ACFFBWOGSA-N
DG69526	Cep-28122 (alk)	155805693	CEP-28122 (ALK); 1022958-60-6; NSC779218; NSC-779218	.	.	Investigative Drug(s)	Investigative	Small molecular drug	779218	.	.	.	.	539.1	C28H35ClN6O3	115	858	4.1	38	3	8	7	"InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17 ,18-,19-,23-,24+/m0/s1"	COC1=C(C=CC2=C1CC[C@H](CC2)N3CCOCC3)NC4=NC=C(C(=N4)N[C@@H]5[C@@H]6CC([C@@H]5C(=O)N)C=C6)Cl	LAJAFFLJAJMYLK-SUEGLBJXSA-N
DG69527	"1-[(9E)-7-(4,4-dimethylcyclohexyl)sulfonyl-9-hydroxyiminofluoren-2-yl]sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol"	155805703	NSC789646; NSC-789646	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789646	.	.	.	.	676.8	C33H35F3N2O6S2	141	1350	6.2	46	2	11	5	"InChI=1S/C33H35F3N2O6S2/c1-31(2)12-10-23(11-13-31)45(41,42)24-6-8-26-27-9-7-25(20-29(27)30(37-40)28(26)19-24)46(43,44)38-16-14-32(39,15-17-38)21-4-3-5-22(18-21)33(34,35)36/h3-9,18-20,23,39-40H,10-17H2,1-2H3/b37-30+"	CC1(CCC(CC1)S(=O)(=O)C2=CC\\3=C(C=C2)C4=C(/C3=N/O)C=C(C=C4)S(=O)(=O)N5CCC(CC5)(C6=CC(=CC=C6)C(F)(F)F)O)C	SPQNVRNQSIYXEO-GGFUHWEBSA-N
DG69528	"12-[6-(dimethylamino)pyridin-3-yl]-7,10-dihydroxy-13H-naphtho[3,2-b][1,4]benzoxazepine-6,11-dione"	155805712	NSC791348; NSC-791348	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791348	.	.	.	.	429.4	C24H19N3O5	103	799	4.4	32	2	8	2	"InChI=1S/C24H19N3O5/c1-26(2)18-10-7-14(11-25-18)27-12-13-5-3-4-6-17(13)32-24-21(27)22(30)19-15(28)8-9-16(29)20(19)23(24)31/h3-11,28-29H,12H2,1-2H3"	CN(C)C1=NC=C(C=C1)N2CC3=CC=CC=C3OC4=C2C(=O)C5=C(C=CC(=C5C4=O)O)O	IQTUJPHUXIBZEK-UHFFFAOYSA-N
DG69529	"4-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine"	155805722	NSC787247; NSC-787247	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787247	.	.	.	.	466.5	C26H23FN8	94.6	662	6.1	35	3	8	6	"InChI=1S/C26H23FN8/c27-18-9-13-20(14-10-18)29-25-32-24(33-26(34-25)35-15-3-4-16-35)28-19-11-7-17(8-12-19)23-30-21-5-1-2-6-22(21)31-23/h1-2,5-14H,3-4,15-16H2,(H,30,31)(H2,28,29,32,33,34)"	C1CCN(C1)C2=NC(=NC(=N2)NC3=CC=C(C=C3)F)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5	QCIPIFQKIPVYNO-UHFFFAOYSA-N
DG69530	"N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide"	155805829	NSC797555; NSC-797555	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797555	.	.	.	.	357.4	C20H23NO5	73.9	485	3.1	26	1	5	6	"InChI=1S/C20H23NO5/c1-11-9-14(10-12(2)19(11)25-5)18(23)15-7-8-16(24-4)17(20(15)26-6)21-13(3)22/h7-10H,1-6H3,(H,21,22)"	CC1=CC(=CC(=C1OC)C)C(=O)C2=C(C(=C(C=C2)OC)NC(=O)C)OC	XJYLHXHKUVWDGK-UHFFFAOYSA-N
DG69531	NSC790650	155805851	"N-[(4S,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylprop-2-enamide; NSC790650; NSC-790650"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790650	.	.	.	.	520.6	C31H28N4O4	77.7	1070	3.8	39	1	4	3	"InChI=1S/C31H28N4O4/c1-5-22(36)33(3)21-14-23-34-19-12-8-6-10-16(19)25-26-18(15-32-30(26)37)24-17-11-7-9-13-20(17)35(28(24)27(25)34)31(2,39-23)29(21)38-4/h5-13,21,23,29H,1,14-15H2,2-4H3,(H,32,37)/t21-,23+,29 ,31 /m0/s1"	CC12C([C@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C=C)OC	HAFDWUTUTAKIMQ-IDLUQQOTSA-N
DG69532	NSC797880	155805880	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[(5-chloro-1H-indol-3-yl)methyl]carbamate; NSC797880; NSC-797880"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797880	.	.	.	.	470.9	C25H27ClN2O5	93	847	3.7	33	2	5	5	"InChI=1S/C25H27ClN2O5/c1-14-18-7-5-15(4-3-9-25(2)22(33-25)21(18)32-23(14)29)13-31-24(30)28-12-16-11-27-20-8-6-17(26)10-19(16)20/h4,6,8,10-11,18,21-22,27H,1,3,5,7,9,12-13H2,2H3,(H,28,30)/b15-4+/t18-,21-,22-,25+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCC4=CNC5=C4C=C(C=C5)Cl	NPQHHHPDUSSZFB-LPCPJUPKSA-N
DG69533	NSC782186	155805903	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetate; NSC782186; NSC-782186"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782186	.	.	.	.	465.5	C26H27NO7	107	913	3.3	34	1	7	6	"InChI=1S/C26H27NO7/c1-14-17-8-6-15(5-4-10-26(2)23(34-26)22(17)33-24(14)29)13-32-25(30)21(28)19-12-27-20-9-7-16(31-3)11-18(19)20/h5,7,9,11-12,17,22-23,27H,1,4,6,8,10,13H2,2-3H3/b15-5+/t17-,22-,23-,26+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)C(=O)C4=CNC5=C4C=C(C=C5)OC	CXYFATPFHKDZOY-KKLWQCETSA-N
DG69534	1-(Naphthalen-2-ylmethyl)-3-[10-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]decyl]imidazol-1-ium	155805911	CHEMBL4802949; NSC788907; NSC-788907	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788907	.	.	.	.	556.8	C38H44N4+2	17.6	695	9.2	42	0	0	15	"InChI=1S/C38H44N4/c1(3-5-11-21-39-23-25-41(31-39)29-33-17-19-35-13-7-9-15-37(35)27-33)2-4-6-12-22-40-24-26-42(32-40)30-34-18-20-36-14-8-10-16-38(36)28-34/h7-10,13-20,23-28,31-32H,1-6,11-12,21-22,29-30H2/q+2"	C1=CC=C2C=C(C=CC2=C1)C[N+]3=CN(C=C3)CCCCCCCCCCN4C=C[N+](=C4)CC5=CC6=CC=CC=C6C=C5	INMUNZAGBHPXNQ-UHFFFAOYSA-N
DG69535	"bis[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl] heptanedioate"	155806014	NSC791771; NSC-791771	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791771	.	.	.	.	652.8	C37H48O10	130	1270	4.2	47	0	10	12	"InChI=1S/C37H48O10/c1-22-26-16-14-24(10-8-18-36(3)32(46-36)30(26)44-34(22)40)20-42-28(38)12-6-5-7-13-29(39)43-21-25-11-9-19-37(4)33(47-37)31-27(17-15-25)23(2)35(41)45-31/h10-11,26-27,30-33H,1-2,5-9,12-21H2,3-4H3/b24-10+,25-11+/t26-,27-,30-,31-,32-,33-,36+,37+/m0/s1"	C[C@]12O[C@H]1[C@H]3OC(=O)C(=C)[C@@H]3CC/C(=C\\CC2)/COC(=O)CCCCCC(=O)OC/C/4=C/CC[C@]5(O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4)C	MXKJGVXUGDTAAP-ISXGSWJYSA-N
DG69536	"11,13-Dimethoxy-5,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazolin-6-one"	155806029	NSC782052; NSC-782052	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782052	.	.	.	.	310.3	C18H18N2O3	50.8	458	2.4	23	1	3	2	"InChI=1S/C18H18N2O3/c1-22-12-9-11-7-8-20-17(16(11)15(10-12)23-2)13-5-3-4-6-14(13)19-18(20)21/h3-6,9-10,17H,7-8H2,1-2H3,(H,19,21)"	COC1=CC2=C(C3C4=CC=CC=C4NC(=O)N3CC2)C(=C1)OC	YAIUYQYSNWIESM-UHFFFAOYSA-N
DG69537	"[2,6-Dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl] 2,2-dichloroacetate"	155806042	NSC797559; NSC-797559	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797559	.	.	.	.	427.3	C20H20Cl2O6	71.1	531	5	28	0	6	8	"InChI=1S/C20H20Cl2O6/c1-10-8-12(9-11(2)16(10)26-4)15(23)13-6-7-14(25-3)18(17(13)27-5)28-20(24)19(21)22/h6-9,19H,1-5H3"	CC1=CC(=CC(=C1OC)C)C(=O)C2=C(C(=C(C=C2)OC)OC(=O)C(Cl)Cl)OC	XFRXJBCGGFOXSN-UHFFFAOYSA-N
DG69538	NSC800513	155806115	"2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-[[1-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]triazol-4-yl]methyl]acetamide; NSC800513; NSC-800513"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800513	.	.	.	.	670.2	C36H36ClN5O6	130	1290	4.3	48	1	8	8	"InChI=1S/C36H36ClN5O6/c1-21-28-12-6-22(5-4-14-36(2)33(48-36)32(28)47-35(21)45)18-41-20-26(39-40-41)17-38-31(43)15-24-19-42(30-13-11-27(46-3)16-29(24)30)34(44)23-7-9-25(37)10-8-23/h5,7-11,13,16,19-20,28,32-33H,1,4,6,12,14-15,17-18H2,2-3H3,(H,38,43)/b22-5+/t28-,32-,33-,36+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CN4C=C(N=N4)CNC(=O)CC5=CN(C6=C5C=C(C=C6)OC)C(=O)C7=CC=C(C=C7)Cl	GSZVFFJMWSVRCR-BLWOOQNBSA-N
DG69539	NSC800510	155806118	"(1S,2S,4R,7E,11S)-8-[[4-(indol-1-ylmethyl)triazol-1-yl]methyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one; NSC800510; NSC-800510"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800510	.	.	.	.	444.5	C26H28N4O3	74.5	830	3	33	0	5	4	"InChI=1S/C26H28N4O3/c1-17-21-10-9-18(6-5-12-26(2)24(33-26)23(21)32-25(17)31)14-30-16-20(27-28-30)15-29-13-11-19-7-3-4-8-22(19)29/h3-4,6-8,11,13,16,21,23-24H,1,5,9-10,12,14-15H2,2H3/b18-6+/t21-,23-,24-,26+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CN4C=C(N=N4)CN5C=CC6=CC=CC=C65	VACWPPLZFVCXQV-NJTUZNMKSA-N
DG69540	"N-methyl-2-[5-(3,4,5-trimethoxyphenyl)pyrido[3,4-c][1,9]phenanthrolin-12-yl]oxyethanamine"	155806130	NSC798823; NSC-798823	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798823	.	.	.	.	470.5	C27H26N4O4	87.6	657	4	35	1	8	8	"InChI=1S/C27H26N4O4/c1-28-9-10-35-27-21-15-30-8-6-18(21)24-19(11-16-5-7-29-14-20(16)25(24)31-27)17-12-22(32-2)26(34-4)23(13-17)33-3/h5-8,11-15,28H,9-10H2,1-4H3"	CNCCOC1=NC2=C3C=NC=CC3=CC(=C2C4=C1C=NC=C4)C5=CC(=C(C(=C5)OC)OC)OC	QOWMPMYLRAWRMR-UHFFFAOYSA-N
DG69541	"2-(1H-indol-3-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole"	155806219	NSC801605; NSC-801605	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801605	.	.	.	.	322.4	C16H10N4S2	103	423	4	22	1	4	2	"InChI=1S/C16H10N4S2/c1-2-5-12-10(4-1)11(8-17-12)15-19-20-9-13(18-16(20)22-15)14-6-3-7-21-14/h1-9,17H"	C1=CC=C2C(=C1)C(=CN2)C3=NN4C=C(N=C4S3)C5=CC=CS5	XZUQRQUVHLEGRF-UHFFFAOYSA-N
DG69542	NSC799258	155806242	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-(2H-indazol-3-ylmethyl)carbamate; NSC799258; NSC-799258"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799258	.	.	.	.	437.5	C24H27N3O5	106	814	2.6	32	2	6	5	"InChI=1S/C24H27N3O5/c1-14-16-10-9-15(6-5-11-24(2)21(32-24)20(16)31-22(14)28)13-30-23(29)25-12-19-17-7-3-4-8-18(17)26-27-19/h3-4,6-8,16,20-21H,1,5,9-13H2,2H3,(H,25,29)(H,26,27)/b15-6+/t16-,20-,21-,24+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCC4=C5C=CC=CC5=NN4	PWQDASWLOCUQMK-XUVHLHGVSA-N
DG69543	NSC782954	155806272	"3-(4,5-Dihydroxy-6-methyloxan-2-yl)-13-(2-morpholin-4-ylethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione; NSC782954; NSC-782954"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782954	.	.	.	.	568.6	C32H32N4O6	120	1060	2.7	42	3	7	4	"InChI=1S/C32H32N4O6/c1-17-30(38)22(37)16-23(42-17)36-21-9-5-3-7-19(21)25-27-26(24-18-6-2-4-8-20(18)33-28(24)29(25)36)31(39)35(32(27)40)11-10-34-12-14-41-15-13-34/h2-9,17,22-23,30,33,37-38H,10-16H2,1H3"	CC1C(C(CC(O1)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)N(C5=O)CCN8CCOCC8)O)O	VWVOCUIMPBCGSR-UHFFFAOYSA-N
DG69544	"methyl (2E)-2-[2-(4-fluorophenyl)imino-3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate"	155806292	NSC797221; NSC-797221	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797221	.	.	.	.	439.5	C22H18FN3O4S	120	753	4.1	31	2	7	6	"InChI=1S/C22H18FN3O4S/c1-30-20(28)11-19-21(29)26(22(31-19)25-15-4-2-14(23)3-5-15)9-8-13-12-24-18-7-6-16(27)10-17(13)18/h2-7,10-12,24,27H,8-9H2,1H3/b19-11+,25-22 "	COC(=O)/C=C/1\\C(=O)N(C(=NC2=CC=C(C=C2)F)S1)CCC3=CNC4=C3C=C(C=C4)O	OODBGZYWCNSWNS-WOCQWUMRSA-N
DG69545	NSC798863	155806361	"N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]naphthalene-1-sulfonamide; NSC798863; NSC-798863"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798863	.	.	.	.	453.6	C25H27NO5S	93.4	906	3.7	32	1	6	4	"InChI=1S/C25H27NO5S/c1-16-19-13-12-17(7-6-14-25(2)23(31-25)22(19)30-24(16)27)15-26-32(28,29)21-11-5-9-18-8-3-4-10-20(18)21/h3-5,7-11,19,22-23,26H,1,6,12-15H2,2H3/b17-7+/t19-,22-,23-,25+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CNS(=O)(=O)C4=CC=CC5=CC=CC=C54	ADVVXEYQOADEMK-YBRXZWIGSA-N
DG69546	NSC801809	155806444	"5-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methoxycarbonyl]thiophene-2-carboxylic acid; NSC801809; NSC-801809"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801809	.	.	.	.	418.5	C21H22O7S	131	775	3.2	29	1	8	5	"InChI=1S/C21H22O7S/c1-11-13-6-5-12(10-26-20(25)15-8-7-14(29-15)18(22)23)4-3-9-21(2)17(28-21)16(13)27-19(11)24/h4,7-8,13,16-17H,1,3,5-6,9-10H2,2H3,(H,22,23)/b12-4+/t13-,16-,17-,21+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)C4=CC=C(S4)C(=O)O	YUTUBEIYJQUWFT-BTBCRLFNSA-N
DG69547	2-[5-chloro-2-(4-methylsulfonylphenyl)benzimidazol-1-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide	155806447	NSC801882; NSC-801882	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801882	.	.	.	.	497	C24H21ClN4O4S	111	819	4	34	1	6	7	"InChI=1S/C24H21ClN4O4S/c1-33-19-8-3-16(4-9-19)14-26-28-23(30)15-29-22-12-7-18(25)13-21(22)27-24(29)17-5-10-20(11-6-17)34(2,31)32/h3-14H,15H2,1-2H3,(H,28,30)/b26-14+"	COC1=CC=C(C=C1)/C=N/NC(=O)CN2C3=C(C=C(C=C3)Cl)N=C2C4=CC=C(C=C4)S(=O)(=O)C	WORBZNSSGUYZOK-VULFUBBASA-N
DG69548	"1-(3,5-Dimethoxyphenyl)-3-[4-(4-methoxyphenoxy)-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]urea"	155806475	NSC798108; NSC-798108	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798108	.	.	.	.	572.6	C30H32N6O6	128	793	4.2	42	3	10	10	"InChI=1S/C30H32N6O6/c1-38-23-8-10-24(11-9-23)42-28-27(34-30(37)33-21-16-25(39-2)18-26(17-21)40-3)19-31-29(35-28)32-20-4-6-22(7-5-20)36-12-14-41-15-13-36/h4-11,16-19H,12-15H2,1-3H3,(H,31,32,35)(H2,33,34,37)"	COC1=CC=C(C=C1)OC2=NC(=NC=C2NC(=O)NC3=CC(=CC(=C3)OC)OC)NC4=CC=C(C=C4)N5CCOCC5	DVLNOAZGUCLXIR-UHFFFAOYSA-N
DG69549	NSC773148	155806567	"6-Ethyl-13-[3-[(2-methoxyphenyl)methylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone; NSC773148; NSC-773148"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773148	.	.	.	.	471.5	C27H25N3O5	96	814	2.9	35	1	6	8	"InChI=1S/C27H25N3O5/c1-3-29-24(31)17-9-11-19-23-20(12-10-18(22(17)23)25(29)32)27(34)30(26(19)33)14-6-13-28-15-16-7-4-5-8-21(16)35-2/h4-5,7-12,28H,3,6,13-15H2,1-2H3"	CCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCNCC5=CC=CC=C5OC)C1=O	GKOZHRWNYBXUMS-UHFFFAOYSA-N
DG69550	"N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,4,5-trihydroxybenzamide"	155806570	NSC773206; NSC-773206	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773206	.	.	.	.	362.8	C16H11ClN2O4S	131	438	3.3	24	4	6	3	"InChI=1S/C16H11ClN2O4S/c17-10-3-1-8(2-4-10)11-7-24-16(18-11)19-15(23)9-5-12(20)14(22)13(21)6-9/h1-7,20-22H,(H,18,19,23)"	C1=CC(=CC=C1C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)O)O)O)Cl	OXRFMHYWNDKUGV-UHFFFAOYSA-N
DG69551	[4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]phenyl]boronic acid	155806629	NSC777096; NSC-777096	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777096	.	.	.	.	298.1	C16H15BO5	87	390	.	22	3	5	5	"InChI=1S/C16H15BO5/c1-22-16-9-3-11(10-15(16)19)2-8-14(18)12-4-6-13(7-5-12)17(20)21/h2-10,19-21H,1H3/b8-2+"	B(C1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC)O)(O)O	NQCNOAKPHBXAKX-KRXBUXKQSA-N
DG69552	"[3-amino-5-(3-hydroxyprop-1-ynyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone"	155806631	NSC777178; NSC-777178	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777178	.	.	.	.	410.4	C22H22N2O6	116	647	3	30	3	7	7	"InChI=1S/C22H22N2O6/c1-27-16-11-15-14(8-12(16)6-5-7-25)19(23)20(24-15)21(26)13-9-17(28-2)22(30-4)18(10-13)29-3/h8-11,24-25H,7,23H2,1-4H3"	COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C3=C(N2)C=C(C(=C3)C#CCO)OC)N	LKNCGHBDNHEXQS-UHFFFAOYSA-N
DG69553	"4-(1H-indol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole"	155806654	NSC778407; NSC-778407	.	.	Investigative Drug(s)	Investigative	Small molecular drug	778407	.	.	.	.	330.4	C19H14N4S	74.7	461	3.7	24	1	3	2	"InChI=1S/C19H14N4S/c1-23-10-15(13-6-4-8-20-18(13)23)19-22-17(11-24-19)14-9-21-16-7-3-2-5-12(14)16/h2-11,21H,1H3"	CN1C=C(C2=C1N=CC=C2)C3=NC(=CS3)C4=CNC5=CC=CC=C54	SXTFGCNSCYKICW-UHFFFAOYSA-N
DG69554	"(3Z)-3-[(2Z)-2-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]imino]-2-phenylethylidene]-1H-indol-2-one"	155806688	NSC767496; NSC-767496	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767496	.	.	.	.	442.9	C24H15ClN4OS	95.5	714	5.3	31	1	5	4	"InChI=1S/C24H15ClN4OS/c25-17-12-10-16(11-13-17)23-28-29-24(31-23)27-21(15-6-2-1-3-7-15)14-19-18-8-4-5-9-20(18)26-22(19)30/h1-14H,(H,26,30)/b19-14-,27-21-"	C1=CC=C(C=C1)/C(=N\\C2=NN=C(S2)C3=CC=C(C=C3)Cl)/C=C\\4/C5=CC=CC=C5NC4=O	IOVKPVMOBMCBFC-AFHJPKRYSA-N
DG69555	"4-[5-(4-chlorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]aniline"	155806710	NSC765911; NSC-765911	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765911	.	.	.	.	339.8	C18H14ClN3S	66.9	528	3.8	23	1	3	2	"InChI=1S/C18H14ClN3S/c19-14-5-1-13(2-6-14)17-11-16(12-3-7-15(20)8-4-12)21-18-22(17)9-10-23-18/h1-11,17H,20H2"	C1=CC(=CC=C1C2C=C(N=C3N2C=CS3)C4=CC=C(C=C4)N)Cl	DXIXQDDLWTTWGM-UHFFFAOYSA-N
DG69556	"8-Bromo-7-[(4-methoxyphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-e][1,3]benzothiazol-2-amine"	155806799	CHEMBL4740024; SCHEMBL23042088; NSC766946; NSC-766946	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766946	.	.	.	.	556.5	C26H26BrN3O4S	109	688	5.5	35	1	7	7	"InChI=1S/C26H26BrN3O4S/c1-31-16-7-5-14(6-8-16)13-30-23(15-11-18(32-2)24(34-4)19(12-15)33-3)17-9-10-20-22(21(17)25(30)27)29-26(28)35-20/h5-8,11-12H,9-10,13H2,1-4H3,(H2,28,29)"	COC1=CC=C(C=C1)CN2C(=C3CCC4=C(C3=C2Br)N=C(S4)N)C5=CC(=C(C(=C5)OC)OC)OC	QLXNDSUCMQDDCZ-UHFFFAOYSA-N
DG69557	"N-(7-benzyl-6,8-dibromo-4,5-dihydropyrrolo[3,4-e][1,3]benzothiazol-2-yl)benzamide"	155806801	CHEMBL4798824; NSC766953; NSC-766953	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766953	.	.	.	.	543.3	C23H17Br2N3OS	75.2	613	6.5	30	1	3	4	"InChI=1S/C23H17Br2N3OS/c24-20-16-11-12-17-19(18(16)21(25)28(20)13-14-7-3-1-4-8-14)26-23(30-17)27-22(29)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,26,27,29)"	C1CC2=C(C3=C(N(C(=C31)Br)CC4=CC=CC=C4)Br)N=C(S2)NC(=O)C5=CC=CC=C5	RHBIESXAZAZEFB-UHFFFAOYSA-N
DG69558	"N-[8-bromo-7-[(4-methoxyphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-e][1,3]benzothiazol-2-yl]acetamide"	155806805	CHEMBL4762793; NSC766962; NSC-766962	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766962	.	.	.	.	598.5	C28H28BrN3O5S	112	791	5.4	38	1	7	8	"InChI=1S/C28H28BrN3O5S/c1-15(33)30-28-31-24-22(38-28)11-10-19-23(24)27(29)32(14-16-6-8-18(34-2)9-7-16)25(19)17-12-20(35-3)26(37-5)21(13-17)36-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,30,31,33)"	CC(=O)NC1=NC2=C(S1)CCC3=C(N(C(=C32)Br)CC4=CC=C(C=C4)OC)C5=CC(=C(C(=C5)OC)OC)OC	CQZXBNHRKGWRTG-UHFFFAOYSA-N
DG69559	"N-(3-chloro-4-fluorophenyl)-3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide"	155806818	NSC757927; NSC-757927	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757927	.	.	.	.	535.9	C28H23ClFN3O5	106	834	6.1	38	3	7	7	"InChI=1S/C28H23ClFN3O5/c1-37-26-13-17(5-11-24(26)34)3-7-20-15-21(9-4-18-6-12-25(35)27(14-18)38-2)33(32-20)28(36)31-19-8-10-23(30)22(29)16-19/h3-16,34-35H,1-2H3,(H,31,36)/b7-3+,9-4+"	COC1=C(C=CC(=C1)/C=C/C2=CC(=NN2C(=O)NC3=CC(=C(C=C3)F)Cl)/C=C/C4=CC(=C(C=C4)O)OC)O	RDRVIUAYIZHUKD-DDEWIXKASA-N
DG69560	6-chloro-3-[(Z)-[2-(4-methoxyphenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol	155806854	NSC763703; NSC-763703	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763703	.	.	.	.	401.8	C23H16ClN3O2	70	807	4.8	29	2	3	3	"InChI=1S/C23H16ClN3O2/c1-29-16-6-3-14(4-7-16)22-25-19-9-2-13(11-21(19)26-22)10-18-17-8-5-15(24)12-20(17)27-23(18)28/h2-12,27-28H,1H3/b13-10-"	COC1=CC=C(C=C1)C2=NC3=C/C(=C\\C4=C(NC5=C4C=CC(=C5)Cl)O)/C=CC3=N2	KPIFDTPBAKZFHH-RAXLEYEMSA-N
DG69561	"(E)-3-[4-methoxy-3-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methoxy]phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	155806868	NSC765799; NSC-765799	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765799	.	.	.	.	545.6	C30H31N3O7	103	779	4.4	40	0	9	13	"InChI=1S/C30H31N3O7/c1-35-24-10-6-21(7-11-24)17-33-18-23(31-32-33)19-40-27-14-20(9-13-26(27)36-2)8-12-25(34)22-15-28(37-3)30(39-5)29(16-22)38-4/h6-16,18H,17,19H2,1-5H3/b12-8+"	COC1=CC=C(C=C1)CN2C=C(N=N2)COC3=C(C=CC(=C3)/C=C/C(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC	ZAJKOFVRBKANIT-XYOKQWHBSA-N
DG69562	"1-(6-chloro-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine"	155806870	NSC766332; NSC-766332	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766332	.	.	.	.	374.8	C21H15ClN4O	55.2	514	5.4	27	1	3	3	"InChI=1S/C21H15ClN4O/c1-27-15-8-5-13(6-9-15)21-25-19(18-4-2-3-11-26(18)21)20-23-16-10-7-14(22)12-17(16)24-20/h2-12H,1H3,(H,23,24)"	COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=C(N4)C=C(C=C5)Cl	IWCZCUTVJDICGF-UHFFFAOYSA-N
DG69563	"(E)-3-(3,4-dimethoxyphenyl)-N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide"	155806886	NSC761142; NSC-761142	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761142	.	.	.	.	535.6	C30H33NO8	93.7	777	5.3	39	1	8	12	"InChI=1S/C30H33NO8/c1-33-23-12-10-19(15-24(23)34-2)11-13-28(32)31-22-14-20(16-25(35-3)29(22)38-6)8-9-21-17-26(36-4)30(39-7)27(18-21)37-5/h8-18H,1-7H3,(H,31,32)/b9-8-,13-11+"	COC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C(=CC(=C2)/C=C\\C3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC	CTBCBCVVQKCVJR-CWXHDNBGSA-N
DG69564	"(8E)-4-(3,4-dimethoxyphenyl)-8-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-4,5,6,7-tetrahydro-1H-quinazoline"	155806911	NSC765428; NSC-765428	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765428	.	.	.	.	434.5	C26H30N2O4	61.3	746	3.5	32	1	5	6	"InChI=1S/C26H30N2O4/c1-16-27-25-18(13-17-9-11-21(29-2)23(14-17)31-4)7-6-8-20(25)26(28-16)19-10-12-22(30-3)24(15-19)32-5/h9-15,26H,6-8H2,1-5H3,(H,27,28)/b18-13+"	CC1=NC(C2=C(N1)/C(=C/C3=CC(=C(C=C3)OC)OC)/CCC2)C4=CC(=C(C=C4)OC)OC	WUGNQYFVNYBVMG-QGOAFFKASA-N
DG69565	"7,10-dihydroxy-12-(6-morpholin-4-ylpyridin-3-yl)-13H-naphtho[3,2-b][1,4]benzoxazepine-6,11-dione"	155806940	NSC791346; NSC-791346	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791346	.	.	.	.	471.5	C26H21N3O6	112	873	4.1	35	2	9	2	"InChI=1S/C26H21N3O6/c30-17-6-7-18(31)22-21(17)24(32)23-26(25(22)33)35-19-4-2-1-3-15(19)14-29(23)16-5-8-20(27-13-16)28-9-11-34-12-10-28/h1-8,13,30-31H,9-12,14H2"	C1COCCN1C2=NC=C(C=C2)N3CC4=CC=CC=C4OC5=C3C(=O)C6=C(C=CC(=C6C5=O)O)O	SOIAVARDRLXKJF-UHFFFAOYSA-N
DG69566	NSC782190	155806962	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate; NSC782190; NSC-782190"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782190	.	.	.	.	479.5	C27H29NO7	96.4	944	3.2	35	0	7	6	"InChI=1S/C27H29NO7/c1-15-18-9-7-16(6-5-11-27(2)24(35-27)23(18)34-25(15)30)14-33-26(31)22(29)20-13-28(3)21-10-8-17(32-4)12-19(20)21/h6,8,10,12-13,18,23-24H,1,5,7,9,11,14H2,2-4H3/b16-6+/t18-,23-,24-,27+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)C(=O)C4=CN(C5=C4C=C(C=C5)OC)C	QNVLGWKZBOALFD-RNWZCEFLSA-N
DG69567	"11-(3-Chlorophenyl)-11,12-dihydropyrido[3,2-c][1,7]phenanthrolin-6-amine"	155806993	NSC782736; NSC-782736	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782736	.	.	.	.	358.8	C21H15ClN4	64.7	502	3.8	26	1	4	1	"InChI=1S/C21H15ClN4/c22-13-5-1-4-12(10-13)16-11-17-14(6-2-8-24-17)20-18(16)19-15(21(23)26-20)7-3-9-25-19/h1-10,16H,11H2,(H2,23,26)"	C1C(C2=C(C3=C1N=CC=C3)N=C(C4=C2N=CC=C4)N)C5=CC(=CC=C5)Cl	HXMQBPJNNUKXJS-UHFFFAOYSA-N
DG69568	"6-Ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol"	155806996	NSC790093; NSC-790093	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790093	.	.	.	.	487.7	C33H47N2O+	29	625	10.9	36	1	1	14	"InChI=1S/C33H46N2O/c1-5-7-8-9-10-11-12-13-14-15-16-17-21-34-22-20-28-26(4)33-32(25(3)30(28)24-34)29-23-27(36)18-19-31(29)35(33)6-2/h18-20,22-24H,5-17,21H2,1-4H3/p+1"	CCCCCCCCCCCCCC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)N(C4=C3C=C(C=C4)O)CC)C	HRRGDZJIKQYAFA-UHFFFAOYSA-O
DG69569	NSC785623	155806998	"15,16-Dimethoxy-20-piperidin-4-yl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione; NSC785623; NSC-785623"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785623	.	.	.	.	434.4	C24H22N2O6	86.3	823	2.3	32	1	7	3	"InChI=1S/C24H22N2O6/c1-29-17-7-13-16(10-18(17)30-2)24(28)26(12-3-5-25-6-4-12)22-14-8-19-20(32-11-31-19)9-15(14)23(27)21(13)22/h7-10,12,25H,3-6,11H2,1-2H3"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)C6CCNCC6)OC	MWJWDYPNNRMLNJ-UHFFFAOYSA-N
DG69570	"2-amino-6-fluoro-4-(4-nitrophenyl)-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile"	155806999	NSC796237; NSC-796237	.	.	Investigative Drug(s)	Investigative	Small molecular drug	796237	.	.	.	.	367.4	C18H10FN3O3S	133	664	4.3	26	1	7	1	"InChI=1S/C18H10FN3O3S/c19-13-3-1-2-11-15-17(26-16(11)13)14(12(8-20)18(21)25-15)9-4-6-10(7-5-9)22(23)24/h1-7,14H,21H2"	C1=CC2=C(C(=C1)F)SC3=C2OC(=C(C3C4=CC=C(C=C4)[N+](=O)[O-])C#N)N	XZGQRYLIJXQDJU-UHFFFAOYSA-N
DG69571	"[(1-Acetyloxy-2-oxopiperidin-3-yl)-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate"	155807039	NSC796054; NSC-796054	.	.	Investigative Drug(s)	Investigative	Small molecular drug	796054	.	.	.	.	465.4	C19H32NO10P	135	701	2.4	31	0	10	13	"InChI=1S/C19H32NO10P/c1-13(21)30-20-10-8-9-14(15(20)22)31(25,28-11-26-16(23)18(2,3)4)29-12-27-17(24)19(5,6)7/h14H,8-12H2,1-7H3"	CC(=O)ON1CCCC(C1=O)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C	ZNGMMPWHXKEHIF-UHFFFAOYSA-N
DG69572	NSC781336	155807045	"6-(13-Hydroxy-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)hexanenitrile; NSC781336; NSC-781336"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781336	.	.	.	.	436.5	C26H20N4O3	102	854	4	33	2	4	5	"InChI=1S/C26H20N4O3/c27-13-7-1-2-8-14-29-18-12-6-4-10-16(18)20-22-21(25(31)30(33)26(22)32)19-15-9-3-5-11-17(15)28-23(19)24(20)29/h3-6,9-12,28,33H,1-2,7-8,14H2"	C1=CC=C2C(=C1)C3=C4C(=C5C6=CC=CC=C6N(C5=C3N2)CCCCCC#N)C(=O)N(C4=O)O	UQFONSNURLOAMH-UHFFFAOYSA-N
DG69573	NSC789949	155807092	"[(5R,6E,10E,13S,14R,15R,16Z)-15-hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate; NSC789949; NSC-789949"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789949	.	.	.	.	636.8	C36H48N2O8	148	1310	4.5	46	3	8	6	"InChI=1S/C36H48N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14,18,20-21,24-26,29,31,33,41H,8-10,13,15-17,19,22H2,1-4H3,(H,37,43)(H,38,40)/b6-5 ,12-7+,18-11+,23-14-/t24-,25+,29-,31-,33-/m0/s1"	C[C@H]1[C@H](C/C=C/C=C/C=C/[C@@H](CC(=O)NC2=CC(=O)C=C(C2=O)CC/C=C(\\[C@@H]1O)/C)OC)OC(=O)[C@@H](C)NC(=O)C3CCCCC3	WWUVMHRJRCRFSL-NRXKGJIXSA-N
DG69574	NSC782958	155807094	"3,4-Dihydroxy-2-methyl-17-(2-pyrrolidin-1-ylethyl)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaene-16,18-dione; NSC782958; NSC-782958"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782958	.	.	.	.	550.6	C32H30N4O5	100	1120	3.1	41	2	6	3	"InChI=1S/C32H30N4O5/c1-32-29(38)21(37)16-22(41-32)35-19-10-4-2-8-17(19)23-25-26(31(40)34(30(25)39)15-14-33-12-6-7-13-33)24-18-9-3-5-11-20(18)36(32)28(24)27(23)35/h2-5,8-11,21-22,29,37-38H,6-7,12-16H2,1H3"	CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(=O)N(C6=O)CCN9CCCC9)O)O	XJYNVAXGGJANRW-UHFFFAOYSA-N
DG69575	NSC785682	155807103	"13-Hydroxy-3-(6-morpholin-4-ylhexyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione; NSC785682; NSC-785682"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785682	.	.	.	.	510.6	C30H30N4O4	90.8	896	4.3	38	2	5	7	"InChI=1S/C30H30N4O4/c35-29-25-23-19-9-3-5-11-21(19)31-27(23)28-24(26(25)30(36)34(29)37)20-10-4-6-12-22(20)33(28)14-8-2-1-7-13-32-15-17-38-18-16-32/h3-6,9-12,31,37H,1-2,7-8,13-18H2"	C1COCCN1CCCCCCN2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)N(C5=O)O	LQCGYSIEFLPMAY-UHFFFAOYSA-N
DG69576	NSC783515	155807108	"N,N-diethyl-6-(13-hydroxy-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)hexanamide; NSC783515; NSC-783515"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783515	.	.	.	.	510.6	C30H30N4O4	98.6	924	4.5	38	2	4	8	"InChI=1S/C30H30N4O4/c1-3-32(4-2)22(35)16-6-5-11-17-33-21-15-10-8-13-19(21)24-26-25(29(36)34(38)30(26)37)23-18-12-7-9-14-20(18)31-27(23)28(24)33/h7-10,12-15,31,38H,3-6,11,16-17H2,1-2H3"	CCN(CC)C(=O)CCCCCN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6NC5=C31)C(=O)N(C4=O)O	ZPKLQEVXAOYEQS-UHFFFAOYSA-N
DG69577	"(3R,4R)-4-(3-fluoro-4-methoxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one"	155807117	NSC791048; NSC-791048	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791048	.	.	.	.	453.5	C25H24FNO6	66.5	632	4.3	33	0	7	8	"InChI=1S/C25H24FNO6/c1-29-19-11-10-15(12-18(19)26)22-24(33-17-8-6-5-7-9-17)25(28)27(22)16-13-20(30-2)23(32-4)21(14-16)31-3/h5-14,22,24H,1-4H3/t22-,24-/m1/s1"	COC1=C(C=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)OC4=CC=CC=C4)F	AEXUAHIBNSABRV-ISKFKSNPSA-N
DG69578	NSC782349	155807142	"(4E,7E,10E,13E,16E,19E)-N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]docosa-4,7,10,13,16,19-hexaenamide; NSC782349; NSC-782349"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782349	.	.	.	.	573.7	C31H41F2N3O5	112	1080	5.2	41	3	7	17	"InChI=1S/C31H41F2N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(38)34-26-22-23-36(30(40)35-26)29-31(32,33)28(39)25(24-37)41-29/h3-4,6-7,9-10,12-13,15-16,18-19,22-23,25,28-29,37,39H,2,5,8,11,14,17,20-21,24H2,1H3,(H,34,35,38,40)/b4-3+,7-6+,10-9+,13-12+,16-15+,19-18+/t25-,28-,29-/m1/s1"	CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)NC1=NC(=O)N(C=C1)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	BQVLSFZCPYXHQU-BVANHDROSA-N
DG69579	"4-(7,10-dihydroxy-6,11-dioxo-13H-naphtho[2,3-b][1,4]benzoxazepin-12-yl)benzonitrile"	155807173	NSC787553; NSC-787553	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787553	.	.	.	.	410.4	C24H14N2O5	111	836	4.8	31	2	7	1	"InChI=1S/C24H14N2O5/c25-11-13-5-7-15(8-6-13)26-12-14-3-1-2-4-18(14)31-24-21(26)22(29)19-16(27)9-10-17(28)20(19)23(24)30/h1-10,27-28H,12H2"	C1C2=CC=CC=C2OC3=C(N1C4=CC=C(C=C4)C#N)C(=O)C5=C(C=CC(=C5C3=O)O)O	HLNFJUMBEWNQDW-UHFFFAOYSA-N
DG69580	4-methoxy-3-(3-methoxyphenyl)-N-[4-[(E)-2-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethenyl]phenyl]benzamide	155807190	NSC797898; NSC-797898	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797898	.	.	.	.	548.7	C35H36N2O4	60	811	7.2	41	1	5	9	"InChI=1S/C35H36N2O4/c1-37-21-19-31(20-22-37)41-30-16-11-26(12-17-30)8-7-25-9-14-29(15-10-25)36-35(38)28-13-18-34(40-3)33(24-28)27-5-4-6-32(23-27)39-2/h4-18,23-24,31H,19-22H2,1-3H3,(H,36,38)/b8-7+"	CN1CCC(CC1)OC2=CC=C(C=C2)/C=C/C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)C5=CC(=CC=C5)OC	VNRXMBOHLCIKQQ-BQYQJAHWSA-N
DG69581	"(E)-1,3-bis[8-hydroxy-2-methyl-7-(morpholin-4-ylmethyl)quinolin-5-yl]prop-2-en-1-one"	155807229	NSC781671; NSC-781671	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781671	.	.	.	.	568.7	C33H36N4O5	108	924	3.2	42	2	9	7	"InChI=1S/C33H36N4O5/c1-21-3-6-26-23(17-24(32(39)30(26)34-21)19-36-9-13-41-14-10-36)5-8-29(38)28-18-25(20-37-11-15-42-16-12-37)33(40)31-27(28)7-4-22(2)35-31/h3-8,17-18,39-40H,9-16,19-20H2,1-2H3/b8-5+"	CC1=NC2=C(C(=CC(=C2C=C1)/C=C/C(=O)C3=C4C=CC(=NC4=C(C(=C3)CN5CCOCC5)O)C)CN6CCOCC6)O	JWGAJBKJDQABJN-VMPITWQZSA-N
DG69582	NSC782967	155807231	5-[[8-Hydroxy-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol; NSC782967; NSC-782967	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782967	.	.	.	.	662.9	C41H54N6O2	79.2	928	6.2	49	2	8	8	"InChI=1S/C41H54N6O2/c48-40-32(28-44-21-11-34(12-22-44)46-17-3-1-4-18-46)26-30(36-9-7-15-42-38(36)40)25-31-27-33(41(49)39-37(31)10-8-16-43-39)29-45-23-13-35(14-24-45)47-19-5-2-6-20-47/h7-10,15-16,26-27,34-35,48-49H,1-6,11-14,17-25,28-29H2"	C1CCN(CC1)C2CCN(CC2)CC3=C(C4=C(C=CC=N4)C(=C3)CC5=CC(=C(C6=C5C=CC=N6)O)CN7CCC(CC7)N8CCCCC8)O	AIIYOMHOSBKINL-UHFFFAOYSA-N
DG69583	"2-Methyl-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylic acid"	155807235	NSC795222; NSC-795222	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795222	.	.	.	.	305.3	C18H11NO4	75.8	559	3.7	23	1	4	1	"InChI=1S/C18H11NO4/c1-9-6-7-19-12(8-9)13(18(22)23)14-15(19)17(21)11-5-3-2-4-10(11)16(14)20/h2-8H,1H3,(H,22,23)"	CC1=CC2=C(C3=C(N2C=C1)C(=O)C4=CC=CC=C4C3=O)C(=O)O	UDCJHNCTCYTKCK-UHFFFAOYSA-N
DG69584	"11-(3-Chlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine"	155807248	NSC781932; NSC-781932	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781932	.	.	.	.	358.8	C21H15ClN4	64.7	502	3.7	26	1	4	1	"InChI=1S/C21H15ClN4/c22-14-3-1-2-12(8-14)17-9-13-10-24-6-4-15(13)20-19(17)18-11-25-7-5-16(18)21(23)26-20/h1-8,10-11,17H,9H2,(H2,23,26)"	C1C(C2=C(C3=C1C=NC=C3)N=C(C4=C2C=NC=C4)N)C5=CC(=CC=C5)Cl	JKPOVXJAJLGGIF-UHFFFAOYSA-N
DG69585	Aeg-40730 (iap)	155807259	"AEG-40730 (IAP); NSC754359; NSC-754359; 934963-58-3; Acetamide, 2,2,2-trifluoro-N-[[(2S)-1-(N-methyl-L-alanyl-L-threonyl)-2-pyrrolidinyl]methyl]-N-(2-phenylethyl)-, diether with 2,4-hexadiyne-1,6-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754359	.	.	.	.	1047.099	C52H68F6N8O8	182	1870	5.3	74	4	16	25	"InChI=1S/C52H68F6N8O8/c1-35(59-5)45(67)61-43(47(69)65-27-17-23-41(65)33-63(49(71)51(53,54)55)29-25-39-19-11-9-12-20-39)37(3)73-31-15-7-8-16-32-74-38(4)44(62-46(68)36(2)60-6)48(70)66-28-18-24-42(66)34-64(50(72)52(56,57)58)30-26-40-21-13-10-14-22-40/h9-14,19-22,35-38,41-44,59-60H,17-18,23-34H2,1-6H3,(H,61,67)(H,62,68)/t35-,36 ,37+,38-,41-,42+,43-,44-/m0/s1"	C[C@H]([C@@H](C(=O)N1CCC[C@H]1CN(CCC2=CC=CC=C2)C(=O)C(F)(F)F)NC(=O)[C@H](C)NC)OCC#CC#CCO[C@@H](C)[C@@H](C(=O)N3CCC[C@@H]3CN(CCC4=CC=CC=C4)C(=O)C(F)(F)F)NC(=O)C(C)NC	BUAODJDXMGPFOY-YOQDAYAPSA-N
DG69586	"6-Methyl-4-[10,15,20-tris(6-methyl-2-oxochromen-4-yl)-5,10,15,20,21,22,23,24-octahydroporphyrin-5-yl]chromen-2-one"	155807270	NSC788356; NSC-788356	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788356	.	.	.	.	949	C60H44N4O8	168	1940	8.6	72	4	8	4	"InChI=1S/C60H44N4O8/c1-29-5-17-49-33(21-29)37(25-53(65)69-49)57-41-9-11-43(61-41)58(38-26-54(66)70-50-18-6-30(2)22-34(38)50)45-13-15-47(63-45)60(40-28-56(68)72-52-20-8-32(4)24-36(40)52)48-16-14-46(64-48)59(44-12-10-42(57)62-44)39-27-55(67)71-51-19-7-31(3)23-35(39)51/h5-28,57-64H,1-4H3"	CC1=CC2=C(C=C1)OC(=O)C=C2C3C4=CC=C(N4)C(C5=CC=C(N5)C(C6=CC=C(N6)C(C7=CC=C3N7)C8=CC(=O)OC9=C8C=C(C=C9)C)C1=CC(=O)OC2=C1C=C(C=C2)C)C1=CC(=O)OC2=C1C=C(C=C2)C	LNCHPDRGFYTFCN-UHFFFAOYSA-N
DG69587	4-Anilino-6-(4-fluorophenyl)-2-(2-methylpropylsulfanyl)pyrimidine-5-carbonitrile	155807276	NSC795754; NSC-795754	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795754	.	.	.	.	378.5	C21H19FN4S	86.9	494	6.3	27	1	6	6	"InChI=1S/C21H19FN4S/c1-14(2)13-27-21-25-19(15-8-10-16(22)11-9-15)18(12-23)20(26-21)24-17-6-4-3-5-7-17/h3-11,14H,13H2,1-2H3,(H,24,25,26)"	CC(C)CSC1=NC(=C(C(=N1)NC2=CC=CC=C2)C#N)C3=CC=C(C=C3)F	OZQOWYFPJWCCQP-UHFFFAOYSA-N
DG69588	NSC787537	155807293	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[(2-methoxyphenyl)methyl]carbamate; NSC787537; NSC-787537"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787537	.	.	.	.	427.5	C24H29NO6	86.4	748	3	31	1	6	6	"InChI=1S/C24H29NO6/c1-15-18-11-10-16(7-6-12-24(2)21(31-24)20(18)30-22(15)26)14-29-23(27)25-13-17-8-4-5-9-19(17)28-3/h4-5,7-9,18,20-21H,1,6,10-14H2,2-3H3,(H,25,27)/b16-7+/t18-,20-,21-,24+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCC4=CC=CC=C4OC	KNQIVQWDDWGRMZ-ZZDLNPCISA-N
DG69589	NSC783510	155807298	"13-Hydroxy-3,23-bis(prop-2-enyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione; NSC783510; NSC-783510"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783510	.	.	.	.	421.4	C26H19N3O3	67.5	763	4.7	32	1	3	4	"InChI=1S/C26H19N3O3/c1-3-13-27-17-11-7-5-9-15(17)19-21-22(26(31)29(32)25(21)30)20-16-10-6-8-12-18(16)28(14-4-2)24(20)23(19)27/h3-12,32H,1-2,13-14H2"	C=CCN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)CC=C)C(=O)N(C4=O)O	OWCBXAYVALOUSY-UHFFFAOYSA-N
DG69590	"2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl carbamate"	155807301	NSC789178; NSC-789178	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789178	.	.	.	.	403.5	C21H17N5O2S	127	595	3	29	2	5	6	"InChI=1S/C21H17N5O2S/c22-21(27)28-9-8-26-11-16(13-4-1-2-6-18(13)26)20-25-17(12-29-20)15-10-24-19-14(15)5-3-7-23-19/h1-7,10-12H,8-9H2,(H2,22,27)(H,23,24)"	C1=CC=C2C(=C1)C(=CN2CCOC(=O)N)C3=NC(=CS3)C4=CNC5=C4C=CC=N5	OVIJJYXVZNQWQT-UHFFFAOYSA-N
DG69591	"9-Chloro-6-[3-(dimethylamino)propoxy]-3-methoxyindeno[1,2-c]quinolin-11-one"	155807312	NSC781403; NSC-781403	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781403	.	.	.	.	396.9	C22H21ClN2O3	51.7	560	4.6	28	0	5	6	"InChI=1S/C22H21ClN2O3/c1-25(2)9-4-10-28-22-20-15-7-5-13(23)11-17(15)21(26)19(20)16-8-6-14(27-3)12-18(16)24-22/h5-8,11-12H,4,9-10H2,1-3H3"	CN(C)CCCOC1=NC2=C(C=CC(=C2)OC)C3=C1C4=C(C3=O)C=C(C=C4)Cl	RFCWXVNPUZVJPV-UHFFFAOYSA-N
DG69592	"N-(4-chlorophenyl)-5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzamide"	155807337	NSC797715; NSC-797715	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797715	.	.	.	.	384.8	C20H17ClN2O4	102	487	4.3	27	5	5	5	"InChI=1S/C20H17ClN2O4/c21-13-1-3-14(4-2-13)23-20(27)17-10-15(5-7-19(17)26)22-11-12-9-16(24)6-8-18(12)25/h1-10,22,24-26H,11H2,(H,23,27)"	C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)NCC3=C(C=CC(=C3)O)O)O)Cl	ACSPHEVUHQVZIP-UHFFFAOYSA-N
DG69593	"(E)-3-(3-hydroxy-4-methoxyphenyl)-1-piperazin-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	155807360	NSC788811; NSC-788811	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788811	.	.	.	.	428.5	C23H28N2O6	89.5	595	2.3	31	2	7	7	"InChI=1S/C23H28N2O6/c1-28-19-6-5-15(12-18(19)26)11-17(23(27)25-9-7-24-8-10-25)16-13-20(29-2)22(31-4)21(14-16)30-3/h5-6,11-14,24,26H,7-10H2,1-4H3/b17-11+"	COC1=C(C=C(C=C1)/C=C(\\C2=CC(=C(C(=C2)OC)OC)OC)/C(=O)N3CCNCC3)O	NIZIKFLHOVXCIV-GZTJUZNOSA-N
DG69594	Imifoplatin	155807382	Imifoplatin; NSC756765; NSC785594; NSC-756765; NSC-785594; HY-109146; CS-0115962	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756765	.	.	.	.	483.22	C6H14N2O7P2Pt	132	301	.	18	4	9	0	"InChI=1S/C6H12N2.H4O7P2.Pt/c7-5-3-1-2-4-6(5)8;1-8(2,3)7-9(4,5)6;/h5-8H,1-4H2;(H2,1,2,3)(H2,4,5,6);/q-2;;+4/p-2/t5-,6-;;/m1../s1"	C1CC[C@H]([C@@H](C1)[NH-])[NH-].OP(=O)([O-])OP(=O)(O)[O-].[Pt+4]	DGZSCXLKVAVLIY-BNTLRKBRSA-L
DG69595	"(E)-3-(4-methoxyphenyl)-1-piperidin-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	155807406	NSC795432; NSC-795432	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795432	.	.	.	.	411.5	C24H29NO5	57.2	552	4.2	30	0	5	7	"InChI=1S/C24H29NO5/c1-27-19-10-8-17(9-11-19)14-20(24(26)25-12-6-5-7-13-25)18-15-21(28-2)23(30-4)22(16-18)29-3/h8-11,14-16H,5-7,12-13H2,1-4H3/b20-14+"	COC1=CC=C(C=C1)/C=C(\\C2=CC(=C(C(=C2)OC)OC)OC)/C(=O)N3CCCCC3	QVKJAYNQCVVQQB-XSFVSMFZSA-N
DG69596	NSC787817	155807408	benzyl 4-(3-methoxy-3-oxopropyl)-5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2-methyl-1H-pyrrole-3-carboxylate; NSC787817; NSC-787817	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787817	.	.	.	.	473.5	C27H27N3O5	106	861	3.5	35	2	6	11	"InChI=1S/C27H27N3O5/c1-17-26(27(32)35-16-18-8-5-4-6-9-18)19(11-12-25(31)34-3)21(29-17)14-23-24(33-2)15-22(30-23)20-10-7-13-28-20/h4-10,13-15,28-29H,11-12,16H2,1-3H3/b23-14-"	CC1=C(C(=C(N1)/C=C\\2/C(=CC(=N2)C3=CC=CN3)OC)CCC(=O)OC)C(=O)OCC4=CC=CC=C4	ZODDUABDZOMAPC-UCQKPKSFSA-N
DG69597	"bis[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl] octanedioate"	155807470	NSC791773; NSC-791773	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791773	.	.	.	.	666.8	C38H50O10	130	1290	4.8	48	0	10	13	"InChI=1S/C38H50O10/c1-23-27-17-15-25(11-9-19-37(3)33(47-37)31(27)45-35(23)41)21-43-29(39)13-7-5-6-8-14-30(40)44-22-26-12-10-20-38(4)34(48-38)32-28(18-16-26)24(2)36(42)46-32/h11-12,27-28,31-34H,1-2,5-10,13-22H2,3-4H3/b25-11+,26-12+/t27-,28-,31-,32-,33-,34-,37+,38+/m0/s1"	C[C@]12O[C@H]1[C@H]3OC(=O)C(=C)[C@@H]3CC/C(=C\\CC2)/COC(=O)CCCCCCC(=O)OC/C/4=C/CC[C@]5(O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4)C	ZUPGOFHWJNBDGO-DNJXBIPXSA-N
DG69598	"4-(1,6,11-Trioxo-2,3,4,12-tetrahydrobenzo[b]xanthen-12-yl)benzamide"	155807499	NSC789276; NSC-789276	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789276	.	.	.	.	399.4	C24H17NO5	104	889	2.2	30	1	5	2	"InChI=1S/C24H17NO5/c25-24(29)13-10-8-12(9-11-13)18-19-16(26)6-3-7-17(19)30-23-20(18)21(27)14-4-1-2-5-15(14)22(23)28/h1-2,4-5,8-11,18H,3,6-7H2,(H2,25,29)"	C1CC2=C(C(C3=C(O2)C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)C(=O)N)C(=O)C1	OEATVMQBESSMSU-UHFFFAOYSA-N
DG69599	NSC780895	155807554	"9-[3-(2-Hydroxyethylamino)propyl]-14-methoxy-4,9,12-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione; NSC780895; NSC-780895"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780895	.	.	.	.	380.4	C20H20N4O4	105	652	-0.5	28	2	7	7	"InChI=1S/C20H20N4O4/c1-28-12-9-14-17(23-10-12)18-16(19(14)26)15-11-22-5-3-13(15)20(27)24(18)7-2-4-21-6-8-25/h3,5,9-11,21,25H,2,4,6-8H2,1H3"	COC1=CC2=C(C3=C(C2=O)C4=C(C=CN=C4)C(=O)N3CCCNCCO)N=C1	KMHWJWLEIZCOJO-UHFFFAOYSA-N
DG69600	"methyl 7-acetyloxy-2-(3,4-diacetyloxyphenyl)-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate"	155807618	NSC794698; NSC-794698; 1844061-12-6	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794698	.	.	.	.	512.5	C26H24O11	141	912	2.6	37	0	11	12	"InChI=1S/C26H24O11/c1-13(27)34-19-8-7-17(12-20(19)35-14(2)28)24-23(26(31)33-5)18-10-16(6-9-22(30)32-4)11-21(25(18)37-24)36-15(3)29/h6-12,23-24H,1-5H3/b9-6+"	CC(=O)OC1=C(C=C(C=C1)C2C(C3=C(O2)C(=CC(=C3)/C=C/C(=O)OC)OC(=O)C)C(=O)OC)OC(=O)C	HWOAAHXBFVXZQX-RMKNXTFCSA-N
DG69601	N-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide	155807685	NSC800717; NSC-800717	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800717	.	.	.	.	412.5	C21H24N4O3S	104	687	3	29	2	5	7	"InChI=1S/C21H24N4O3S/c1-3-25(4-2)29(27,28)17-7-5-6-15(12-17)16-10-11-18-19(13-16)23-24-20(18)22-21(26)14-8-9-14/h5-7,10-14H,3-4,8-9H2,1-2H3,(H2,22,23,24,26)"	CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)C(=NN3)NC(=O)C4CC4	JPWTZNZIWQIJSJ-UHFFFAOYSA-N
DG69602	NSC801078	155807748	"bis[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl] (E)-but-2-enedioate; NSC801078; NSC-801078"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801078	.	.	.	.	608.7	C34H40O10	130	1270	3.3	44	0	10	8	"InChI=1S/C34H40O10/c1-19-23-11-9-21(7-5-15-33(3)29(43-33)27(23)41-31(19)37)17-39-25(35)13-14-26(36)40-18-22-8-6-16-34(4)30(44-34)28-24(12-10-22)20(2)32(38)42-28/h7-8,13-14,23-24,27-30H,1-2,5-6,9-12,15-18H2,3-4H3/b14-13+,21-7+,22-8+/t23-,24-,27-,28-,29-,30-,33+,34+/m0/s1"	C[C@]12O[C@H]1[C@H]3OC(=O)C(=C)[C@@H]3CC/C(=C\\CC2)/COC(=O)/C=C/C(=O)OC/C/4=C/CC[C@]5(O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4)C	HDGMFSSBENOIFR-KNIHMLGBSA-N
DG69603	NSC802913	155807791	"(2S)-2-[[(2S)-4-amino-2-[[(3R)-3-hydroxyundecanoyl]amino]-4-oxobutanoyl]amino]-N-[(3R)-1-[2-(2,6-dihydroxybenzoyl)-3-hydroxy-5-methylphenyl]-5-methyl-1-oxohexan-3-yl]pentanediamide; NSC802913; NSC-802913; 1914929-01-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	802913	.	.	.	.	797.9	C41H59N5O11	289	1340	3.9	57	9	11	26	"InChI=1S/C41H59N5O11/c1-5-6-7-8-9-10-12-26(47)21-36(54)45-29(22-35(43)53)41(57)46-28(15-16-34(42)52)40(56)44-25(17-23(2)3)20-32(50)27-18-24(4)19-33(51)37(27)39(55)38-30(48)13-11-14-31(38)49/h11,13-14,18-19,23,25-26,28-29,47-49,51H,5-10,12,15-17,20-22H2,1-4H3,(H2,42,52)(H2,43,53)(H,44,56)(H,45,54)(H,46,57)/t25-,26-,28+,29+/m1/s1"	CCCCCCCC[C@H](CC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](CC(C)C)CC(=O)C1=C(C(=CC(=C1)C)O)C(=O)C2=C(C=CC=C2O)O)O	HZWVBHXYQZVQTA-KFADFNFCSA-N
DG69604	NSC799649	155807811	"N-(5-piperazin-1-ylpyridin-2-yl)-4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)-1H-pyrazole-5-carboxamide; NSC799649; NSC-799649"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799649	.	.	.	.	461.5	C22H23N9OS	152	695	2.9	33	4	9	5	"InChI=1S/C22H23N9OS/c32-21(29-17-5-4-13(10-24-17)31-8-6-23-7-9-31)19-15(11-27-30-19)28-20-18-14-2-1-3-16(14)33-22(18)26-12-25-20/h4-5,10-12,23H,1-3,6-9H2,(H,27,30)(H,24,29,32)(H,25,26,28)"	C1CC2=C(C1)SC3=NC=NC(=C23)NC4=C(NN=C4)C(=O)NC5=NC=C(C=C5)N6CCNCC6	CPHKRUXSSWWABO-UHFFFAOYSA-N
DG69605	"3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)-1,2,5-oxadiazole"	155807824	NSC801548; NSC-801548	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801548	.	.	.	.	314.3	C19H14N4O	59.6	461	3.3	24	1	3	2	"InChI=1S/C19H14N4O/c1-23-11-15(13-7-3-5-9-17(13)23)19-18(21-24-22-19)14-10-20-16-8-4-2-6-12(14)16/h2-11,20H,1H3"	CN1C=C(C2=CC=CC=C21)C3=NON=C3C4=CNC5=CC=CC=C54	BHOFGKPHNZTDTK-UHFFFAOYSA-N
DG69606	NSC799255	155807849	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[(5-methoxy-1H-indol-3-yl)methyl]carbamate; NSC799255; NSC-799255"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799255	.	.	.	.	466.5	C26H30N2O6	102	858	3.1	34	2	6	6	"InChI=1S/C26H30N2O6/c1-15-19-8-6-16(5-4-10-26(2)23(34-26)22(19)33-24(15)29)14-32-25(30)28-13-17-12-27-21-9-7-18(31-3)11-20(17)21/h5,7,9,11-12,19,22-23,27H,1,4,6,8,10,13-14H2,2-3H3,(H,28,30)/b16-5+/t19-,22-,23-,26+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCC4=CNC5=C4C=C(C=C5)OC	POOMAQQECONUGF-RJSAQQEJSA-N
DG69607	NSC787539	155807861	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[2-(4-methoxyphenyl)ethyl]carbamate; NSC787539; NSC-787539"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787539	.	.	.	.	441.5	C25H31NO6	86.4	756	3.4	32	1	6	7	"InChI=1S/C25H31NO6/c1-16-20-11-8-18(5-4-13-25(2)22(32-25)21(20)31-23(16)27)15-30-24(28)26-14-12-17-6-9-19(29-3)10-7-17/h5-7,9-10,20-22H,1,4,8,11-15H2,2-3H3,(H,26,28)/b18-5+/t20-,21-,22-,25+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCCC4=CC=C(C=C4)OC	UAAMKYMULOJANO-JBAPYULWSA-N
DG69608	NSC801805	155808012	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 3-[3-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methoxy]-3-oxopropyl]sulfanylpropanoate; NSC801805; NSC-801805"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801805	.	.	.	.	670.8	C36H46O10S	156	1280	3.6	47	0	11	12	"InChI=1S/C36H46O10S/c1-21-25-11-9-23(7-5-15-35(3)31(45-35)29(25)43-33(21)39)19-41-27(37)13-17-47-18-14-28(38)42-20-24-8-6-16-36(4)32(46-36)30-26(12-10-24)22(2)34(40)44-30/h7-8,25-26,29-32H,1-2,5-6,9-20H2,3-4H3/b23-7+,24-8+/t25-,26-,29-,30-,31-,32-,35+,36+/m0/s1"	C[C@]12O[C@H]1[C@H]3OC(=O)C(=C)[C@@H]3CC/C(=C\\CC2)/COC(=O)CCSCCC(=O)OC/C/4=C/CC[C@]5(O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4)C	NWCKUXXUYDZNHW-GMINLOHTSA-N
DG69609	N-[(E)-[5-fluoro-2-(4-methylsulfonylphenyl)-1H-indol-3-yl]methylideneamino]-4-methylsulfonylaniline	155808027	NSC801891; NSC-801891	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801891	.	.	.	.	485.6	C23H20FN3O4S2	125	899	3.9	33	2	7	6	"InChI=1S/C23H20FN3O4S2/c1-32(28,29)18-8-3-15(4-9-18)23-21(20-13-16(24)5-12-22(20)26-23)14-25-27-17-6-10-19(11-7-17)33(2,30)31/h3-14,26-27H,1-2H3/b25-14+"	CS(=O)(=O)C1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)F)/C=N/NC4=CC=C(C=C4)S(=O)(=O)C	BSGVCDAAXBXLJE-AFUMVMLFSA-N
DG69610	NSC799315	155808069	"bis[[3-[[[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]carbamothioyl-(1-adamantyl)amino]methyl]phenyl]methyl]-bis[[3-[(1-adamantylamino)methyl]phenyl]methyl]azanium; NSC799315; NSC-799315"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799315	.	.	.	.	1914.6	C116H142N11O10S2+	291	4220	20.1	139	8	16	32	"InChI=1S/C116H141N11O10S2/c1-69(128)119-97-25-21-91-45-103(132-3)107(134-5)109(136-7)105(91)93-23-27-99(101(130)47-95(93)97)121-123-111(138)125(115-55-85-39-86(56-115)41-87(40-85)57-115)63-73-15-11-19-77(31-73)67-127(65-75-17-9-13-71(29-75)61-117-113-49-79-33-80(50-113)35-81(34-79)51-113,66-76-18-10-14-72(30-76)62-118-114-52-82-36-83(53-114)38-84(37-82)54-114)68-78-20-12-16-74(32-78)64-126(116-58-88-42-89(59-116)44-90(43-88)60-116)112(139)124-122-100-28-24-94-96(48-102(100)131)98(120-70(2)129)26-22-92-46-104(133-4)108(135-6)110(137-8)106(92)94/h9-20,23-24,27-32,45-48,79-90,97-98,117-118H,21-22,25-26,33-44,49-68H2,1-8H3,(H5-,119,120,121,122,123,124,128,129,130,131,138,139)/p+1/t79 ,80 ,81 ,82 ,83 ,84 ,85 ,86 ,87 ,88 ,89 ,90 ,97-,98-,113 ,114 ,115 ,116 ,127 /m0/s1"	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NNC(=S)N(CC4=CC(=CC=C4)C[N+](CC5=CC=CC(=C5)CNC67CC8CC(C6)CC(C8)C7)(CC9=CC=CC(=C9)CNC12CC3CC(C1)CC(C3)C2)CC1=CC=CC(=C1)CN(C(=S)NNC1=CC=C2C(=CC1=O)[C@H](CCC1=CC(=C(C(=C12)OC)OC)OC)NC(=O)C)C12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C3)C2)OC)OC)OC	XJLNEECZYOQDIA-BBLLEISNSA-O
DG69611	"(8E)-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-4,5,6,7-tetrahydro-1H-quinazolin-2-amine"	155808078	NSC763278; NSC-763278	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763278	.	.	.	.	495.6	C27H33N3O6	106	817	2.9	36	2	7	8	"InChI=1S/C27H33N3O6/c1-31-19-11-15(12-20(32-2)25(19)35-5)10-16-8-7-9-18-23(16)29-27(28)30-24(18)17-13-21(33-3)26(36-6)22(14-17)34-4/h10-14,24H,7-9H2,1-6H3,(H3,28,29,30)/b16-10+"	COC1=CC(=CC(=C1OC)OC)/C=C/2\\CCCC3=C2NC(=NC3C4=CC(=C(C(=C4)OC)OC)OC)N	FKKCACGLVKDLID-MHWRWJLKSA-N
DG69612	"5-(2-bromo-4-methoxyphenyl)-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine"	155808080	NSC765954; NSC-765954	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765954	.	.	.	.	429.3	C20H17BrN2O2S	59.4	601	4.5	26	0	4	4	"InChI=1S/C20H17BrN2O2S/c1-24-14-5-3-13(4-6-14)18-12-19(23-9-10-26-20(23)22-18)16-8-7-15(25-2)11-17(16)21/h3-12,19H,1-2H3"	COC1=CC=C(C=C1)C2=CC(N3C=CSC3=N2)C4=C(C=C(C=C4)OC)Br	SXHQRXJRRZRUAR-UHFFFAOYSA-N
DG69613	"(10E)-6-(3,4,5-trimethoxyphenyl)-10-[(3,4,5-trimethoxyphenyl)methylidene]-5,6,6a,7,8,9-hexahydrobenzo[b][1,4]benzodiazepine"	155808086	NSC763273; NSC-763273	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763273	.	.	.	.	544.6	C32H36N2O6	79.8	854	5.8	40	1	8	8	"InChI=1S/C32H36N2O6/c1-35-25-15-19(16-26(36-2)31(25)39-5)14-20-10-9-11-22-29(20)33-23-12-7-8-13-24(23)34-30(22)21-17-27(37-3)32(40-6)28(18-21)38-4/h7-8,12-18,22,30,34H,9-11H2,1-6H3/b20-14+"	COC1=CC(=CC(=C1OC)OC)/C=C/2\\CCCC3C2=NC4=CC=CC=C4NC3C5=CC(=C(C(=C5)OC)OC)OC	FTECDNOFJKHBOG-XSFVSMFZSA-N
DG69614	[2-Chloro-4-[ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol	155808123	NSC763131; NSC-763131	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763131	.	.	.	.	293.76	C16H17ClFNO	23.5	284	3.7	20	1	3	5	"InChI=1S/C16H17ClFNO/c1-2-19(10-12-3-6-14(18)7-4-12)15-8-5-13(11-20)16(17)9-15/h3-9,20H,2,10-11H2,1H3"	CCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)Cl	MLQWJIOFIWIYFM-UHFFFAOYSA-N
DG69615	"[5-(4-Bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone"	155808132	NSC759216; NSC-759216	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759216	.	.	.	.	577.5	C32H25BrN4O2	59.7	841	6.7	39	0	4	6	"InChI=1S/C32H25BrN4O2/c1-39-27-18-14-24(15-19-27)32(38)37-30(20-29(34-37)22-12-16-25(33)17-13-22)28-21-36(26-10-6-3-7-11-26)35-31(28)23-8-4-2-5-9-23/h2-19,21,30H,20H2,1H3"	COC1=CC=C(C=C1)C(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6	RFXQPJCOAIBJGA-UHFFFAOYSA-N
DG69616	NSC762148	155808188	"1-[4-[2-[(1R,2R,3E,7R,11E,13S,15S)-2,15-dihydroxy-5-oxo-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-7-yl]ethyl]phenyl]-3-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)thiourea; NSC762148; NSC-762148"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762148	.	.	.	.	774.9	C44H42N2O9S	199	1440	6.6	56	6	10	5	"InChI=1S/C44H42N2O9S/c47-29-12-16-36-39(23-29)54-40-24-30(48)13-17-37(40)44(36)35-15-11-28(21-34(35)42(52)55-44)46-43(56)45-27-9-6-25(7-10-27)8-14-32-5-3-1-2-4-26-20-31(49)22-33(26)38(50)18-19-41(51)53-32/h2,4,6-7,9-13,15-19,21,23-24,26,31-33,38,47-50H,1,3,5,8,14,20,22H2,(H2,45,46,56)/b4-2+,19-18+/t26-,31+,32-,33-,38-/m1/s1"	C1C/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O[C@H](C1)CCC3=CC=C(C=C3)NC(=S)NC4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)OC5=O)O)O	PTDLLGYYFYDCMI-GBBQBRMQSA-N
DG69617	"(2E,4Z)-5-chloro-1-(7-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one"	155808203	NSC757002; NSC-757002	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757002	.	.	.	.	491.3	C23H20Cl2N2O6	95.7	724	3.3	33	0	6	7	"InChI=1S/C23H20Cl2N2O6/c1-13-22(27(30)18-12-15(24)8-9-17(18)26(13)29)19(28)7-5-6-16(25)14-10-20(31-2)23(33-4)21(11-14)32-3/h5-12H,1-4H3/b7-5+,16-6-"	CC1=C([N+](=C2C=C(C=CC2=[N+]1[O-])Cl)[O-])C(=O)/C=C/C=C(/C3=CC(=C(C(=C3)OC)OC)OC)\\Cl	CMKMFAXVLYHKGT-ZETDYYLHSA-N
DG69618	NSC765770	155808207	"(2R,12R,13S)-7,17-bis(4-methoxyphenyl)-4,5,9,11,13,15,19-heptamethyl-5,7,8,16,17,19-hexazahexacyclo[10.7.1.11,4.02,11.06,10.014,18]henicosa-6(10),8,14(18),15-tetraene; NSC765770; NSC-765770"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765770	.	.	.	.	592.8	C36H44N6O2	60.6	1090	7.2	44	0	6	4	"InChI=1S/C36H44N6O2/c1-21-28-18-36(40(7)32-30(21)22(2)37-41(32)24-10-14-26(43-8)15-11-24)20-34(4)19-29(36)35(28,5)31-23(3)38-42(33(31)39(34)6)25-12-16-27(44-9)17-13-25/h10-17,21,28-29H,18-20H2,1-9H3/t21-,28+,29+,34 ,35 ,36 /m0/s1"	C[C@H]1[C@H]2CC3(CC4(C[C@@H]3C2(C5=C(N4C)N(N=C5C)C6=CC=C(C=C6)OC)C)C)N(C7=C1C(=NN7C8=CC=C(C=C8)OC)C)C	IJZZCKISZFJMLY-QMUZGWHBSA-N
DG69619	NSC766939	155808208	"Ethyl 11-chloro-13-[(3,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-12-carboxylate; CHEMBL4740083; NSC766939; NSC-766939"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766939	.	.	.	.	430.9	C22H23ClN2O5	75.7	584	4.4	30	0	6	7	"InChI=1S/C22H23ClN2O5/c1-4-29-22(26)20-18(23)17-7-5-6-14-11-24-30-21(14)19(17)25(20)12-13-8-15(27-2)10-16(9-13)28-3/h8-11H,4-7,12H2,1-3H3"	CCOC(=O)C1=C(C2=C(N1CC3=CC(=CC(=C3)OC)OC)C4=C(CCC2)C=NO4)Cl	WHDPXWXZHKFJQL-UHFFFAOYSA-N
DG69620	"Ethyl 13-[(3,4,5-trimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-12-carboxylate"	155808214	CHEMBL4755273; NSC766929; NSC-766929	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766929	.	.	.	.	426.5	C23H26N2O6	85	593	3.7	31	0	7	8	"InChI=1S/C23H26N2O6/c1-5-30-23(26)17-11-15-7-6-8-16-12-24-31-21(16)20(15)25(17)13-14-9-18(27-2)22(29-4)19(10-14)28-3/h9-12H,5-8,13H2,1-4H3"	CCOC(=O)C1=CC2=C(N1CC3=CC(=C(C(=C3)OC)OC)OC)C4=C(CCC2)C=NO4	PUIFMIHPKBIRQC-UHFFFAOYSA-N
DG69621	"N-(4-chlorophenyl)-3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide"	155808231	NSC757924; NSC-757924	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757924	.	.	.	.	518	C28H24ClN3O5	106	790	6	37	3	6	7	"InChI=1S/C28H24ClN3O5/c1-36-26-15-18(5-13-24(26)33)3-9-22-17-23(12-4-19-6-14-25(34)27(16-19)37-2)32(31-22)28(35)30-21-10-7-20(29)8-11-21/h3-17,33-34H,1-2H3,(H,30,35)/b9-3+,12-4+"	COC1=C(C=CC(=C1)/C=C/C2=CC(=NN2C(=O)NC3=CC=C(C=C3)Cl)/C=C/C4=CC(=C(C=C4)O)OC)O	FBTRJGSYHVLGFR-KGNILVOKSA-N
DG69622	"5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole"	155808283	NSC766333; NSC-766333	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766333	.	.	.	.	392.8	C21H14ClFN4O	55.2	549	5.5	28	1	4	3	"InChI=1S/C21H14ClFN4O/c1-28-13-7-5-12(6-8-13)21-26-19(18-4-2-3-9-27(18)21)20-24-16-10-14(22)15(23)11-17(16)25-20/h2-11H,1H3,(H,24,25)"	COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=CC(=C(C=C5N4)F)Cl	FEASBOFHLWVMFR-UHFFFAOYSA-N
DG69623	"(E)-3-(3,4-dimethoxyphenyl)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide"	155808288	NSC761137; NSC-761137	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761137	.	.	.	.	505.6	C29H31NO7	84.5	730	5.3	37	1	7	11	"InChI=1S/C29H31NO7/c1-32-23-12-9-19(7-8-21-17-26(35-4)29(37-6)27(18-21)36-5)15-22(23)30-28(31)14-11-20-10-13-24(33-2)25(16-20)34-3/h7-18H,1-6H3,(H,30,31)/b8-7-,14-11+"	COC1=C(C=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)/C=C/C3=CC(=C(C=C3)OC)OC	FZCRNLJLGZSQNG-LMEHAKNHSA-N
DG69624	"2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-(5-methyl-1H-pyrazol-3-yl)-1,3,4-oxadiazole"	155808300	NSC763646; NSC-763646	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763646	.	.	.	.	296.28	C15H12N4O3	86.1	422	2.3	22	1	6	3	"InChI=1S/C15H12N4O3/c1-9-6-11(17-16-9)15-19-18-14(22-15)5-3-10-2-4-12-13(7-10)21-8-20-12/h2-7H,8H2,1H3,(H,16,17)/b5-3+"	CC1=CC(=NN1)C2=NN=C(O2)/C=C/C3=CC4=C(C=C3)OCO4	LPMWBWZWEVNYGW-HWKANZROSA-N
DG69625	"3-[(Z)-[1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol"	155808310	NSC761816; NSC-761816	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761816	.	.	.	.	477.5	C29H23N3O4	88.4	944	4.9	36	2	6	5	"InChI=1S/C29H23N3O4/c1-34-24-12-16(13-25(35-2)28(24)36-3)26-27-20(18-8-4-6-10-22(18)31-27)14-17(30-26)15-21-19-9-5-7-11-23(19)32-29(21)33/h4-15,32-33H,1-3H3/b17-15-"	COC1=CC(=CC(=C1OC)OC)C2=N/C(=C\\C3=C(NC4=CC=CC=C43)O)/C=C5C2=NC6=CC=CC=C65	SKJVTFAYFPPFPN-ICFOKQHNSA-N
DG69626	"(E)-3-(3,5-dimethoxyphenyl)-1-[4-(quinazolin-4-ylamino)phenyl]prop-2-en-1-one"	155808311	NSC760016; NSC-760016	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760016	.	.	.	.	411.5	C25H21N3O3	73.3	593	5.1	31	1	6	7	"InChI=1S/C25H21N3O3/c1-30-20-13-17(14-21(15-20)31-2)7-12-24(29)18-8-10-19(11-9-18)28-25-22-5-3-4-6-23(22)26-16-27-25/h3-16H,1-2H3,(H,26,27,28)/b12-7+"	COC1=CC(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)NC3=NC=NC4=CC=CC=C43)OC	CIZWETHCDPPGCP-KPKJPENVSA-N
DG69627	"N-phenyl-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-2-amine"	155808312	NSC761393; NSC-761393	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761393	.	.	.	.	362.4	C22H22N2O3	52.6	439	4.9	27	1	5	7	"InChI=1S/C22H22N2O3/c1-25-19-14-16(15-20(26-2)21(19)27-3)11-12-17-8-7-13-23-22(17)24-18-9-5-4-6-10-18/h4-15H,1-3H3,(H,23,24)/b12-11-"	COC1=CC(=CC(=C1OC)OC)/C=C\\C2=C(N=CC=C2)NC3=CC=CC=C3	CMNSTKGQSDKOAD-QXMHVHEDSA-N
DG69628	2-[1-(4-chlorophenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide	155808314	NSC758356; NSC-758356	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758356	.	.	.	.	439.9	C21H14ClN3O4S	107	742	3.5	30	1	5	5	"InChI=1S/C21H14ClN3O4S/c22-14-5-7-16(8-6-14)30(28,29)25-13-18(17-3-1-2-4-19(17)25)20(26)21(27)24-15-9-11-23-12-10-15/h1-13H,(H,23,24,27)"	C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)C(=O)NC4=CC=NC=C4	MGYMSGQDZATSRV-UHFFFAOYSA-N
DG69629	"3-[(Z)-[1-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol"	155808316	NSC761820; NSC-761820	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761820	.	.	.	.	455.4	C27H16F3N3O	60.7	928	5.9	34	2	6	2	"InChI=1S/C27H16F3N3O/c28-27(29,30)16-11-9-15(10-12-16)24-25-20(18-5-1-3-7-22(18)32-25)13-17(31-24)14-21-19-6-2-4-8-23(19)33-26(21)34/h1-14,33-34H/b17-14-"	C1=CC=C2C(=C1)C(=C(N2)O)/C=C\\3/C=C4C5=CC=CC=C5N=C4C(=N3)C6=CC=C(C=C6)C(F)(F)F	XOWNYVGAKNFBTN-VKAVYKQESA-N
DG69630	"3-amino-N-(3-bromophenyl)-5-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	155808355	NSC771539; NSC-771539	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771539	.	.	.	.	418.3	C18H16BrN3O2S	117	511	3.9	25	3	5	2	"InChI=1S/C18H16BrN3O2S/c19-9-3-1-4-10(7-9)21-17(24)16-15(20)12-8-11-13(22-18(12)25-16)5-2-6-14(11)23/h1,3-4,7-8,14,23H,2,5-6,20H2,(H,21,24)"	C1CC(C2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)NC4=CC(=CC=C4)Br)N)O	USMHMXPEIAGYKS-UHFFFAOYSA-N
DG69631	(2Z)-7-methyl-2-[(5-nitrofuran-2-yl)methylidene]-1-benzofuran-3-one	155808366	NSC772262; NSC-772262	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772262	.	.	.	.	271.22	C14H9NO5	85.3	455	3.2	20	0	5	1	"InChI=1S/C14H9NO5/c1-8-3-2-4-10-13(16)11(20-14(8)10)7-9-5-6-12(19-9)15(17)18/h2-7H,1H3/b11-7-"	CC1=C2C(=CC=C1)C(=O)/C(=C/C3=CC=C(O3)[N+](=O)[O-])/O2	YYCGVOURVJVOMD-XFFZJAGNSA-N
DG69632	"(3E)-3-[[6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1H-indol-2-one"	155808415	NSC775003; NSC-775003	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775003	.	.	.	.	524.6	C29H24N4O4S	115	869	5.5	38	1	7	6	"InChI=1S/C29H24N4O4S/c1-16-9-11-17(12-10-16)25-22(15-20-19-7-5-6-8-21(19)30-27(20)34)33-29(31-25)38-28(32-33)18-13-23(35-2)26(37-4)24(14-18)36-3/h5-15H,1-4H3,(H,30,34)/b20-15+"	CC1=CC=C(C=C1)C2=C(N3C(=N2)SC(=N3)C4=CC(=C(C(=C4)OC)OC)OC)/C=C/5\\C6=CC=CC=C6NC5=O	UODDARANFVGVNL-HMMYKYKNSA-N
DG69633	NSC776733	155808432	"(9E)-5-(3,4-dimethoxyphenyl)-9-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazoline; NSC776733; NSC-776733"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	776733	.	.	.	.	491.6	C27H29N3O4S	90.2	916	4.4	35	0	7	6	"InChI=1S/C27H29N3O4S/c1-16-29-30-26(19-10-12-22(32-3)24(15-19)34-5)20-8-6-7-18(25(20)28-27(30)35-16)13-17-9-11-21(31-2)23(14-17)33-4/h9-15,26H,6-8H2,1-5H3/b18-13+"	CC1=NN2C(C3=C(/C(=C/C4=CC(=C(C=C4)OC)OC)/CCC3)N=C2S1)C5=CC(=C(C=C5)OC)OC	MEWOMPXVIDZRSU-QGOAFFKASA-N
DG69634	"(3-amino-5-ethynyl-6-methoxy-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone"	155808439	NSC777176; NSC-777176	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777176	.	.	.	.	380.4	C21H20N2O5	95.8	591	3.7	28	2	6	7	"InChI=1S/C21H20N2O5/c1-6-11-7-13-14(10-15(11)25-2)23-19(18(13)22)20(24)12-8-16(26-3)21(28-5)17(9-12)27-4/h1,7-10,23H,22H2,2-5H3"	COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C3=C(N2)C=C(C(=C3)C#C)OC)N	BELKHPNHLFJBRU-UHFFFAOYSA-N
DG69635	"N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-chloroanilino)acetamide"	155808484	CHEMBL4793997; BDBM50563793; NSC780167; NSC-780167	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780167	.	.	.	.	393.9	C21H16ClN3OS	82.3	492	5.8	27	2	4	5	"InChI=1S/C21H16ClN3OS/c22-15-7-11-16(12-8-15)23-13-20(26)24-17-9-5-14(6-10-17)21-25-18-3-1-2-4-19(18)27-21/h1-12,23H,13H2,(H,24,26)"	C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CNC4=CC=C(C=C4)Cl	GEOIPJJPOXRWSN-UHFFFAOYSA-N
DG69636	Antineoplastic-672553	155808492	ANTINEOPLASTIC-672553; NSC672553; NSC-672553; 10-Amino-20(S)-glycinyl camptothecin hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672553	.	.	.	.	420.4	C22H20N4O5	138	898	0	31	2	8	4	"InChI=1S/C22H20N4O5/c1-2-22(31-18(27)8-23)15-7-17-19-12(5-11-6-13(24)3-4-16(11)25-19)9-26(17)20(28)14(15)10-30-21(22)29/h3-7H,2,8-10,23-24H2,1H3/t22-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)N)OC(=O)CN	QSLKUMQVKFTQSY-QFIPXVFZSA-N
DG69637	"2-(2,2-dimethyl-propyl)-3,4-dihydro-2H-1-thia-2,4a,7,9-tetraaz-fluoren-8-ylamine"	155808494	"NSC761390; NSC-761390; 2-(2,2-dimethyl-propyl)-3,4-dihydro-2H-1-thia-2,4a,7,9-tetraaz-fluoren-8-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761390	.	.	.	.	277.39	C13H19N5S	85.3	332	2.1	19	1	5	2	"InChI=1S/C13H19N5S/c1-13(2,3)8-17-6-7-18-9-4-5-15-11(14)10(9)16-12(18)19-17/h4-5H,6-8H2,1-3H3,(H2,14,15)"	CC(C)(C)CN1CCN2C3=C(C(=NC=C3)N)N=C2S1	SZWWSJXWTIMEGQ-UHFFFAOYSA-N
DG69638	"(3Z)-3-[(2Z)-2-phenyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]ethylidene]-1H-indol-2-one"	155808498	NSC767490; NSC-767490	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767490	.	.	.	.	408.5	C24H16N4OS	95.5	681	4.7	30	1	5	4	"InChI=1S/C24H16N4OS/c29-22-19(18-13-7-8-14-20(18)25-22)15-21(16-9-3-1-4-10-16)26-24-28-27-23(30-24)17-11-5-2-6-12-17/h1-15H,(H,25,29)/b19-15-,26-21-"	C1=CC=C(C=C1)C2=NN=C(S2)/N=C(/C=C\\3/C4=CC=CC=C4NC3=O)\\C5=CC=CC=C5	MUPVJGCNUBUCGC-MBHLKRKKSA-N
DG69639	NSC791547	155808552	"ethyl (2Z)-2-[2-(4-cyanophenyl)imino-3-[2-[(5Z)-2-(4-cyanophenyl)imino-5-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate; NSC791547; NSC-791547"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791547	.	.	.	.	628.7	C30H24N6O6S2	216	1270	4.4	44	0	12	11	"InChI=1S/C30H24N6O6S2/c1-3-41-25(37)15-23-27(39)35(29(43-23)33-21-9-5-19(17-31)6-10-21)13-14-36-28(40)24(16-26(38)42-4-2)44-30(36)34-22-11-7-20(18-32)8-12-22/h5-12,15-16H,3-4,13-14H2,1-2H3/b23-15-,24-16-,33-29 ,34-30 "	CCOC(=O)/C=C/1\\SC(=NC2=CC=C(C=C2)C#N)N(C1=O)CCN3C(=NC4=CC=C(C=C4)C#N)S/C(=C\\C(=O)OCC)/C3=O	BUSQEEPFKMRGCC-BZEDRDOPSA-N
DG69640	"7,10-dihydroxy-12-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]-13H-naphtho[3,2-b][1,4]benzoxazepine-6,11-dione"	155808585	NSC791347; NSC-791347	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791347	.	.	.	.	459.4	C25H21N3O6	123	834	3.7	34	3	9	4	"InChI=1S/C25H21N3O6/c1-27(10-11-29)19-9-6-15(12-26-19)28-13-14-4-2-3-5-18(14)34-25-22(28)23(32)20-16(30)7-8-17(31)21(20)24(25)33/h2-9,12,29-31H,10-11,13H2,1H3"	CN(CCO)C1=NC=C(C=C1)N2CC3=CC=CC=C3OC4=C2C(=O)C5=C(C=CC(=C5C4=O)O)O	HXVVXKNTBSIBCM-UHFFFAOYSA-N
DG69641	4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(4-methoxyphenyl)-2-methylprop-1-enyl]phenol	155808616	NSC798076; NSC-798076	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798076	.	.	.	.	445.6	C29H35NO3	41.9	563	7.4	33	1	4	11	"InChI=1S/C29H35NO3/c1-5-30(6-2)19-20-33-28-17-11-25(12-18-28)29(24-9-13-26(31)14-10-24)22(3)21-23-7-15-27(32-4)16-8-23/h7-18,31H,5-6,19-21H2,1-4H3/b29-22+"	CCN(CC)CCOC1=CC=C(C=C1)/C(=C(\\C)/CC2=CC=C(C=C2)OC)/C3=CC=C(C=C3)O	WPCIWEQOZYXWLZ-QUPMIFSKSA-N
DG69642	NSC782187	155808618	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 2-(1-benzylindol-3-yl)-2-oxoacetate; NSC782187; NSC-782187"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782187	.	.	.	.	525.6	C32H31NO6	87.1	1030	4.9	39	0	6	7	"InChI=1S/C32H31NO6/c1-20-23-15-14-22(11-8-16-32(2)29(39-32)28(23)38-30(20)35)19-37-31(36)27(34)25-18-33(17-21-9-4-3-5-10-21)26-13-7-6-12-24(25)26/h3-7,9-13,18,23,28-29H,1,8,14-17,19H2,2H3/b22-11+/t23-,28-,29-,32+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)C(=O)C4=CN(C5=CC=CC=C54)CC6=CC=CC=C6	WUJUFWRWSYYQGF-BPECKKQISA-N
DG69643	NSC781335	155808690	"6-(13-Hydroxy-23-methyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)hexanenitrile; NSC781335; NSC-781335"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781335	.	.	.	.	450.5	C27H22N4O3	91.3	884	3.9	34	1	4	5	"InChI=1S/C27H22N4O3/c1-29-18-12-6-4-10-16(18)20-22-23(27(33)31(34)26(22)32)21-17-11-5-7-13-19(17)30(25(21)24(20)29)15-9-3-2-8-14-28/h4-7,10-13,34H,2-3,8-9,15H2,1H3"	CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)CCCCCC#N)C(=O)N(C4=O)O	LAKYMYHTFLBAQU-UHFFFAOYSA-N
DG69644	NSC782392	155808704	"(2S)-6-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-2-[5-hydroxy-4-[5-hydroxy-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-[(1S,2R)-2-hydroxy-1-methoxy-3-oxobutyl]-7-methyl-3,4-dihydro-2H-anthracen-1-one; NSC782392; NSC-782392"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782392	.	.	.	.	1055.1	C51H74O23	327	1850	1.2	74	9	23	15	"InChI=1S/C51H74O23/c1-18-30(70-36-15-31(44(58)21(4)66-36)71-34-13-28(53)43(57)20(3)65-34)12-26-10-25-11-27(50(64-9)42(56)19(2)52)51(48(62)40(25)47(61)39(26)41(18)55)74-38-17-33(46(60)23(6)68-38)73-37-16-32(45(59)22(5)67-37)72-35-14-29(54)49(63-8)24(7)69-35/h10,12,20-24,27-29,31-38,42-46,49-51,53-61H,11,13-17H2,1-9H3/t20 ,21 ,22 ,23 ,24 ,27 ,28 ,29 ,31 ,32 ,33 ,34 ,35 ,36 ,37 ,38 ,42-,43 ,44 ,45 ,46 ,49 ,50-,51-/m0/s1"	CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)[C@H](C(C5)[C@@H]([C@H](C(=O)C)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC)O)C(=C4C(=C3C)O)O)O)O	BYRUSBJZFJEJLW-ADFDXATNSA-N
DG69645	"(E)-3-(3-amino-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	155808713	NSC791055; NSC-791055	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791055	.	.	.	.	503.6	C29H33N3O5	86.5	736	4.2	37	1	7	8	"InChI=1S/C29H33N3O5/c1-34-25-11-10-20(17-24(25)30)16-23(21-18-26(35-2)28(37-4)27(19-21)36-3)29(33)32-14-12-31(13-15-32)22-8-6-5-7-9-22/h5-11,16-19H,12-15,30H2,1-4H3/b23-16+"	COC1=C(C=C(C=C1)/C=C(\\C2=CC(=C(C(=C2)OC)OC)OC)/C(=O)N3CCN(CC3)C4=CC=CC=C4)N	QSDIYOAWYZLBOS-XQNSMLJCSA-N
DG69646	NSC794114	155808719	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-(1H-indol-2-ylmethyl)carbamate; NSC794114; NSC-794114"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794114	.	.	.	.	436.5	C25H28N2O5	93	810	3.1	32	2	5	5	"InChI=1S/C25H28N2O5/c1-15-19-10-9-16(6-5-11-25(2)22(32-25)21(19)31-23(15)28)14-30-24(29)26-13-18-12-17-7-3-4-8-20(17)27-18/h3-4,6-8,12,19,21-22,27H,1,5,9-11,13-14H2,2H3,(H,26,29)/b16-6+/t19-,21-,22-,25+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCC4=CC5=CC=CC=C5N4	FUICCADLWFHAGH-KEOQQOJISA-N
DG69647	"3-Bromo-4-(4-ethylsulfanylphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one"	155808722	NSC792961; NSC-792961	.	.	Investigative Drug(s)	Investigative	Small molecular drug	792961	.	.	.	.	452.4	C20H22BrNO4S	73.3	488	4.2	27	0	5	7	"InChI=1S/C20H22BrNO4S/c1-5-27-14-8-6-12(7-9-14)18-17(21)20(23)22(18)13-10-15(24-2)19(26-4)16(11-13)25-3/h6-11,17-18H,5H2,1-4H3"	CCSC1=CC=C(C=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)Br	HFZUWQQSIKHXFH-UHFFFAOYSA-N
DG69648	5-[(E)-[(8-hydroxyquinolin-2-yl)hydrazinylidene]methyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol	155808735	NSC781666; NSC-781666	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781666	.	.	.	.	429.5	C24H23N5O3	103	631	3.2	32	3	8	5	"InChI=1S/C24H23N5O3/c30-20-5-1-3-16-6-7-21(27-22(16)20)28-26-14-17-13-18(15-29-9-11-32-12-10-29)24(31)23-19(17)4-2-8-25-23/h1-8,13-14,30-31H,9-12,15H2,(H,27,28)/b26-14+"	C1COCCN1CC2=CC(=C3C=CC=NC3=C2O)/C=N/NC4=NC5=C(C=CC=C5O)C=C4	DOZCBFMWNWUULK-VULFUBBASA-N
DG69649	NSC782188	155808773	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate; NSC782188; NSC-782188"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782188	.	.	.	.	469.9	C25H24ClNO6	98	901	4	33	1	6	5	"InChI=1S/C25H24ClNO6/c1-13-16-7-5-14(4-3-9-25(2)22(33-25)21(16)32-23(13)29)12-31-24(30)20(28)18-11-27-19-8-6-15(26)10-17(18)19/h4,6,8,10-11,16,21-22,27H,1,3,5,7,9,12H2,2H3/b14-4+/t16-,21-,22-,25+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)C(=O)C4=CNC5=C4C=C(C=C5)Cl	GKBBVKXWBMQSQT-XRXLMMCCSA-N
DG69650	4-(4-fluorophenyl)-2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-morpholin-4-ylpyrimidine-5-carbonitrile	155808793	NSC795213; NSC-795213	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795213	.	.	.	.	441.5	C24H20FN7O	102	715	3.8	33	2	8	5	"InChI=1S/C24H20FN7O/c25-18-7-5-16(6-8-18)22-20(13-26)23(32-9-11-33-12-10-32)30-24(29-22)31-28-15-17-14-27-21-4-2-1-3-19(17)21/h1-8,14-15,27H,9-12H2,(H,29,30,31)/b28-15+"	C1COCCN1C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)F)N/N=C/C4=CNC5=CC=CC=C54	TVZHECKTTDIROX-RWPZCVJISA-N
DG69651	"4-(2-benzyl-7-chloro-1,3-dioxo-5H-pyrrolo[3,4-b][1,4]benzoxazepin-4-yl)benzonitrile"	155808802	NSC789278; NSC-789278	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789278	.	.	.	.	441.9	C25H16ClN3O3	73.6	835	4.5	32	0	5	3	"InChI=1S/C25H16ClN3O3/c26-19-8-11-21-18(12-19)15-28(20-9-6-16(13-27)7-10-20)22-23(32-21)25(31)29(24(22)30)14-17-4-2-1-3-5-17/h1-12H,14-15H2"	C1C2=C(C=CC(=C2)Cl)OC3=C(N1C4=CC=C(C=C4)C#N)C(=O)N(C3=O)CC5=CC=CC=C5	ZBUXINPTACJFQA-UHFFFAOYSA-N
DG69652	"4-Chloro-6,8,11-trimethyl-5,6-dihydropyrimido[4,5-b][1]benzazepine"	155808820	NSC782535; NSC-782535	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782535	.	.	.	.	273.76	C15H16ClN3	29	325	4.2	19	0	3	0	"InChI=1S/C15H16ClN3/c1-9-4-5-13-11(6-9)10(2)7-12-14(16)17-8-18-15(12)19(13)3/h4-6,8,10H,7H2,1-3H3"	CC1CC2=C(N=CN=C2Cl)N(C3=C1C=C(C=C3)C)C	CAKMJCJYSOJDCM-UHFFFAOYSA-N
DG69653	"2-[11-(3-chlorophenyl)pyrido[3,2-c][1,7]phenanthrolin-6-yl]oxy-N,N-dimethylethanamine"	155808842	NSC788512; NSC-788512	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788512	.	.	.	.	428.9	C25H21ClN4O	51.1	592	5.3	31	0	5	5	"InChI=1S/C25H21ClN4O/c1-30(2)12-13-31-25-19-9-5-11-28-23(19)22-20(16-6-3-7-17(26)14-16)15-21-18(24(22)29-25)8-4-10-27-21/h3-11,14-15H,12-13H2,1-2H3"	CN(C)CCOC1=NC2=C(C(=CC3=C2C=CC=N3)C4=CC(=CC=C4)Cl)C5=C1C=CC=N5	WGBPHYKVMPLHRO-UHFFFAOYSA-N
DG69654	NSC791140	155808852	"(1S,2S,4R,7E,11S)-8-[[2-amino-6-bromo-4-(trifluoromethyl)phenyl]iminomethyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one; NSC791140; NSC-791140"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791140	.	.	.	.	499.3	C22H22BrF3N2O3	77.2	814	4.3	31	1	8	2	"InChI=1S/C22H22BrF3N2O3/c1-11-14-6-5-12(4-3-7-21(2)19(31-21)18(14)30-20(11)29)10-28-17-15(23)8-13(9-16(17)27)22(24,25)26/h4,8-10,14,18-19H,1,3,5-7,27H2,2H3/b12-4+,28-10 /t14-,18-,19-,21+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/C=NC4=C(C=C(C=C4Br)C(F)(F)F)N	LTNXWJFXCXMDNV-IXXQRXQASA-N
DG69655	"(3R)-3-chloro-4-(3-chloro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one"	155808914	NSC788820; NSC-788820	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788820	.	.	.	.	412.3	C19H19Cl2NO5	57.2	510	3.8	27	0	5	6	"InChI=1S/C19H19Cl2NO5/c1-24-13-6-5-10(7-12(13)20)17-16(21)19(23)22(17)11-8-14(25-2)18(27-4)15(9-11)26-3/h5-9,16-17H,1-4H3/t16-,17 /m1/s1"	COC1=C(C=C(C=C1)C2[C@H](C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)Cl)Cl	NEWUFNXTKKEDNA-TZHYSIJRSA-N
DG69656	4-[4-[4-(2-aminocyclopropyl)anilino]-4-oxobutyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide	155808936	NSC785590; NSC-785590	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785590	.	.	.	.	510.7	C30H30N4O2S	139	765	4.2	37	4	5	9	"InChI=1S/C30H30N4O2S/c31-25-15-12-22(28-4-2-16-37-28)17-27(25)34-30(36)21-8-6-19(7-9-21)3-1-5-29(35)33-23-13-10-20(11-14-23)24-18-26(24)32/h2,4,6-17,24,26H,1,3,5,18,31-32H2,(H,33,35)(H,34,36)"	C1C(C1N)C2=CC=C(C=C2)NC(=O)CCCC3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)C5=CC=CS5)N	QOTNCTHIBHOJBC-UHFFFAOYSA-N
DG69657	[4-[(Z)-1-[4-[3-(dimethylamino)propoxy]phenyl]-3-(4-methoxyphenyl)-2-methylprop-1-enyl]phenyl] N-hexylcarbamate	155808939	NSC798060; NSC-798060	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798060	.	.	.	.	558.7	C35H46N2O4	60	745	9.2	41	1	5	17	"InChI=1S/C35H46N2O4/c1-6-7-8-9-23-36-35(38)41-33-21-15-30(16-22-33)34(27(2)26-28-11-17-31(39-5)18-12-28)29-13-19-32(20-14-29)40-25-10-24-37(3)4/h11-22H,6-10,23-26H2,1-5H3,(H,36,38)/b34-27-"	CCCCCCNC(=O)OC1=CC=C(C=C1)/C(=C(/C)\\CC2=CC=C(C=C2)OC)/C3=CC=C(C=C3)OCCCN(C)C	ATTLAIRXORIGFJ-YLHCSOALSA-N
DG69658	"(E)-1,3-bis[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]prop-2-en-1-one"	155808951	NSC781668; NSC-781668	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781668	.	.	.	.	540.6	C31H32N4O5	108	863	2.4	40	2	9	7	"InChI=1S/C31H32N4O5/c36-27(26-18-23(20-35-11-15-40-16-12-35)31(38)29-25(26)4-2-8-33-29)6-5-21-17-22(19-34-9-13-39-14-10-34)30(37)28-24(21)3-1-7-32-28/h1-8,17-18,37-38H,9-16,19-20H2/b6-5+"	C1COCCN1CC2=CC(=C3C=CC=NC3=C2O)/C=C/C(=O)C4=C5C=CC=NC5=C(C(=C4)CN6CCOCC6)O	DZBALAFPGDPONQ-AATRIKPKSA-N
DG69659	(3Z)-1-[(4-nitrophenyl)methyl]-3-[2-oxo-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylidene]indol-2-one	155808963	NSC795435; NSC-795435	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795435	.	.	.	.	511.6	C30H29N3O5	95.7	864	4.8	38	0	6	8	"InChI=1S/C30H29N3O5/c34-29(23-10-14-25(15-11-23)38-19-18-31-16-4-1-5-17-31)20-27-26-6-2-3-7-28(26)32(30(27)35)21-22-8-12-24(13-9-22)33(36)37/h2-3,6-15,20H,1,4-5,16-19,21H2/b27-20-"	C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)/C=C\\3/C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)[N+](=O)[O-]	ADXAANDXJRLZBY-OOAXWGSJSA-N
DG69660	NSC780462	155809014	"methyl (2S)-2-[[(2S)-2-[(2R,3S)-3-[4-[4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5,10-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1H-anthracen-2-yl]-2-methoxyacetyl]amino]-3-(4-hydroxyphenyl)propanoate; NSC780462; NSC-780462"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780462	.	.	.	.	1204.3	C59H81NO25	376	2210	2.6	85	11	25	18	"InChI=1S/C59H81NO25/c1-23-36(81-41-19-37(49(65)25(3)77-41)82-40-18-35(62)48(64)24(2)76-40)17-31-15-30-16-33(55(74-8)57(71)60-34(58(72)75-9)14-29-10-12-32(61)13-11-29)54(53(69)46(30)52(68)45(31)47(23)63)85-43-21-38(50(66)27(5)79-43)83-42-20-39(51(67)26(4)78-42)84-44-22-59(7,73)56(70)28(6)80-44/h10-13,15,17,24-28,33-35,37-44,48-51,54-56,61-68,70,73H,14,16,18-22H2,1-9H3,(H,60,71)/t24 ,25 ,26 ,27 ,28 ,33-,34+,35 ,37 ,38 ,39 ,40 ,41 ,42 ,43 ,44 ,48 ,49 ,50 ,51 ,54+,55+,56 ,59 /m1/s1"	CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)OC)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)OC9CC(C(C(O9)C)O)(C)O)C(=C4C(=C3C)O)O)O)O	NCZWUEWKLCSUNO-CXPSBOMVSA-N
DG69661	"7-[[(3S,4S)-3-fluoropiperidin-4-yl]methyl]-6-methoxy-2-[(Z)-pyrazolo[3,4-b]pyridin-3-ylidenemethyl]-1-benzofuran-3-ol"	155809091	NSC787774; NSC-787774	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787774	.	.	.	.	408.4	C22H21FN4O3	92.2	677	3.8	30	2	8	4	"InChI=1S/C22H21FN4O3/c1-29-18-5-4-14-20(28)19(10-17-13-3-2-7-25-22(13)27-26-17)30-21(14)15(18)9-12-6-8-24-11-16(12)23/h2-5,7,10,12,16,24,28H,6,8-9,11H2,1H3/b17-10-/t12-,16-/m1/s1"	COC1=C(C2=C(C=C1)C(=C(O2)/C=C\\3/C4=C(N=CC=C4)N=N3)O)C[C@H]5CCNC[C@H]5F	DLVBJFSGRMMFDS-MVKJJVDBSA-N
DG69662	NSC797878	155809131	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[(5-fluoro-1H-indol-3-yl)methyl]carbamate; NSC797878; NSC-797878"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797878	.	.	.	.	454.5	C25H27FN2O5	93	847	3.2	33	2	6	5	"InChI=1S/C25H27FN2O5/c1-14-18-7-5-15(4-3-9-25(2)22(33-25)21(18)32-23(14)29)13-31-24(30)28-12-16-11-27-20-8-6-17(26)10-19(16)20/h4,6,8,10-11,18,21-22,27H,1,3,5,7,9,12-13H2,2H3,(H,28,30)/b15-4+/t18-,21-,22-,25+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCC4=CNC5=C4C=C(C=C5)F	YTTVMFZWOFDYNQ-LPCPJUPKSA-N
DG69663	"1-[5-(2-Aminophenyl)-1-(1,3-benzodioxol-5-yl)-2-methylpyrrol-3-yl]ethanone"	155809164	NSC798089; NSC-798089	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798089	.	.	.	.	334.4	C20H18N2O3	66.5	499	3.2	25	1	4	3	"InChI=1S/C20H18N2O3/c1-12-16(13(2)23)10-18(15-5-3-4-6-17(15)21)22(12)14-7-8-19-20(9-14)25-11-24-19/h3-10H,11,21H2,1-2H3"	CC1=C(C=C(N1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4N)C(=O)C	FCTAZZXMYFKRSF-UHFFFAOYSA-N
DG69664	"7-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-2-[(Z)-indazol-3-ylidenemethyl]-6-methoxy-1-benzofuran-3-ol"	155809188	NSC787771; NSC-787771	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787771	.	.	.	.	407.4	C23H22FN3O3	79.4	674	4.5	30	2	7	4	"InChI=1S/C23H22FN3O3/c1-29-20-7-6-15-22(28)21(11-19-14-4-2-3-5-18(14)26-27-19)30-23(15)16(20)10-13-8-9-25-12-17(13)24/h2-7,11,13,17,25,28H,8-10,12H2,1H3/b19-11-/t13-,17+/m0/s1"	COC1=C(C2=C(C=C1)C(=C(O2)/C=C\\3/C4=CC=CC=C4N=N3)O)C[C@@H]5CCNC[C@H]5F	NHUDNHXURSBRHK-UJPVDPKUSA-N
DG69665	"(3R,4S)-3-fluoro-4-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one"	155809212	NSC792959; NSC-792959	.	.	Investigative Drug(s)	Investigative	Small molecular drug	792959	.	.	.	.	379.4	C19H19F2NO5	57.2	510	3	27	0	7	6	"InChI=1S/C19H19F2NO5/c1-24-13-6-5-10(7-12(13)20)17-16(21)19(23)22(17)11-8-14(25-2)18(27-4)15(9-11)26-3/h5-9,16-17H,1-4H3/t16-,17+/m1/s1"	COC1=C(C=C(C=C1)[C@H]2[C@H](C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)F)F	VWZNJRLTGMVJIF-SJORKVTESA-N
DG69666	"[3-(4-Ethoxycarbonyloxy-3,5-dimethoxybenzoyl)-2,6-dimethoxyphenyl] 2-chloroacetate"	155809217	NSC797552; NSC-797552	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797552	.	.	.	.	482.9	C22H23ClO10	116	645	4	33	0	10	13	"InChI=1S/C22H23ClO10/c1-6-31-22(26)33-20-15(28-3)9-12(10-16(20)29-4)18(25)13-7-8-14(27-2)21(19(13)30-5)32-17(24)11-23/h7-10H,6,11H2,1-5H3"	CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)C2=C(C(=C(C=C2)OC)OC(=O)CCl)OC)OC	SGUJPJVHVVWMQT-UHFFFAOYSA-N
DG69667	"2-[[Bis(pyridin-2-ylmethyl)amino]methyl]-4,6-diiodophenol"	155809231	NSC788646; NSC-788646	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788646	.	.	.	.	557.2	C19H17I2N3O	49.2	381	3.6	25	1	4	6	"InChI=1S/C19H17I2N3O/c20-15-9-14(19(25)18(21)10-15)11-24(12-16-5-1-3-7-22-16)13-17-6-2-4-8-23-17/h1-10,25H,11-13H2"	C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=C(C(=CC(=C3)I)I)O	FATDIFUUTNCRIU-UHFFFAOYSA-N
DG69668	NSC783299	155809234	"(2S,3S)-2-[(2S,4R)-5,5-dihydroxy-4-[(2S,4R,5S)-5-hydroxy-4-[(2S,4R,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2S,4R,5R)-4-[(2S,4R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one; NSC783299; NSC-783299"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783299	.	.	.	.	1101.1	C52H76O25	367	1950	0.2	77	11	25	16	"InChI=1S/C52H76O25/c1-18-29(73-36-15-31(45(59)22(5)70-36)74-34-13-28(54)43(57)20(3)68-34)12-26-10-25-11-27(50(67-9)49(63)42(56)19(2)53)51(48(62)40(25)47(61)39(26)41(18)55)77-38-17-33(52(64,65)24(7)72-38)76-37-16-32(46(60)23(6)71-37)75-35-14-30(66-8)44(58)21(4)69-35/h10,12,19-24,27-28,30-38,42-46,50-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20 ,21 ,22 ,23 ,24 ,27+,28-,30-,31-,32-,33-,34+,35+,36+,37+,38+,42+,43-,44-,45-,46+,50+,51+/m1/s1"	CC1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2C[C@@H](OC([C@H]2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]6C[C@H](C(C(O6)C)(O)O)O[C@H]7C[C@H]([C@H](C(O7)C)O)O[C@H]8C[C@H]([C@@H](C(O8)C)O)OC)C(=C4C(=C3C)O)O)O)O	WVZCVUIMRBCDPW-WAMQQGDBSA-N
DG69669	"2-(5-bromo-1H-indol-3-yl)-4-(1-methylpyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole"	155809387	NSC801593; NSC-801593	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801593	.	.	.	.	409.3	C19H13BrN4S	74.7	494	4.1	25	1	3	2	"InChI=1S/C19H13BrN4S/c1-24-9-15(13-7-21-5-4-18(13)24)17-10-25-19(23-17)14-8-22-16-3-2-11(20)6-12(14)16/h2-10,22H,1H3"	CN1C=C(C2=C1C=CN=C2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)Br	HPIUWKAKIDVNHN-UHFFFAOYSA-N
DG69670	NSC800954	155809408	"[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24Z,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate; NSC800954; NSC-800954"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800954	.	.	.	.	1030.3	C56H87NO16	242	2010	5.6	73	4	16	11	"InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12 ,17-13-,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1"	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C\\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-JRDRZOFESA-N
DG69671	"(3-Hydroxy-2,4-dimethoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone"	155809424	NSC797554; NSC-797554	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797554	.	.	.	.	316.3	C18H20O5	65	387	3.6	23	1	5	5	"InChI=1S/C18H20O5/c1-10-8-12(9-11(2)17(10)22-4)15(19)13-6-7-14(21-3)16(20)18(13)23-5/h6-9,20H,1-5H3"	CC1=CC(=CC(=C1OC)C)C(=O)C2=C(C(=C(C=C2)OC)O)OC	KJXSZTITQSZGTL-UHFFFAOYSA-N
DG69672	4-chloro-N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]ethyl]benzenesulfonamide	155809449	NSC783549; NSC-783549	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783549	.	.	.	.	560.1	C29H26ClN5O3S	107	846	5.7	39	2	7	10	"InChI=1S/C29H26ClN5O3S/c1-38-25-9-5-6-22(18-25)29-27(20-35(34-29)24-7-3-2-4-8-24)21-14-15-31-28(19-21)32-16-17-33-39(36,37)26-12-10-23(30)11-13-26/h2-15,18-20,33H,16-17H2,1H3,(H,31,32)"	COC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)NCCNS(=O)(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5	RMLXPAYQZCHNQK-UHFFFAOYSA-N
DG69673	"11-(3,4-Dichlorophenyl)-11,12-dihydropyrido[3,2-c][1,7]phenanthrolin-6-amine"	155809465	NSC782845; NSC-782845	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782845	.	.	.	.	393.3	C21H14Cl2N4	64.7	534	4.4	27	1	4	1	"InChI=1S/C21H14Cl2N4/c22-15-6-5-11(9-16(15)23)14-10-17-12(3-1-7-25-17)20-18(14)19-13(21(24)27-20)4-2-8-26-19/h1-9,14H,10H2,(H2,24,27)"	C1C(C2=C(C3=C1N=CC=C3)N=C(C4=C2N=CC=C4)N)C5=CC(=C(C=C5)Cl)Cl	OJEPSDRPIIWLHM-UHFFFAOYSA-N
DG69674	"(2Z)-1,1-dioxo-2-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enylidene]-1,4-thiazinan-3-one"	155809470	NSC780928; NSC-780928	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780928	.	.	.	.	331.31	C14H12F3NO3S	71.6	587	2.4	22	1	6	2	"InChI=1S/C14H12F3NO3S/c15-14(16,17)11-5-1-3-10(9-11)4-2-6-12-13(19)18-7-8-22(12,20)21/h1-6,9H,7-8H2,(H,18,19)/b4-2+,12-6-"	C1CS(=O)(=O)/C(=C\\C=C\\C2=CC(=CC=C2)C(F)(F)F)/C(=O)N1	OYALKTNYHCXLNL-RWVMUBBESA-N
DG69675	NSC803358	155809548	"1-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione; NSC803358; NSC-803358"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803358	.	.	.	.	423.4	C27H18FNO3	63.2	820	3.9	32	1	4	3	"InChI=1S/C27H18FNO3/c28-16-11-9-15(10-12-16)21(30)13-14-27-19-7-3-1-5-17(19)22(18-6-2-4-8-20(18)27)23-24(27)26(32)29-25(23)31/h1-14,22-24H,(H,29,31,32)/b14-13+"	C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)/C=C/C(=O)C6=CC=C(C=C6)F)C(=O)NC4=O	HJVQKUVOSBNWJB-BUHFOSPRSA-N
DG69676	"(E)-3-(4-methoxyphenyl)-1-(tetrazol-1-yl)-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	155809551	NSC803364; NSC-803364	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803364	.	.	.	.	396.4	C20H20N4O5	97.6	553	3.1	29	0	8	7	"InChI=1S/C20H20N4O5/c1-26-15-7-5-13(6-8-15)9-16(20(25)24-12-21-22-23-24)14-10-17(27-2)19(29-4)18(11-14)28-3/h5-12H,1-4H3/b16-9+"	COC1=CC=C(C=C1)/C=C(\\C2=CC(=C(C(=C2)OC)OC)OC)/C(=O)N3C=NN=N3	OZGVASOTLGCXOS-CXUHLZMHSA-N
DG69677	"3-amino-5-hydroxy-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	155809666	NSC771538; NSC-771538	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771538	.	.	.	.	369.4	C19H19N3O3S	126	522	3.1	26	3	6	3	"InChI=1S/C19H19N3O3S/c1-25-11-5-2-4-10(8-11)21-18(24)17-16(20)13-9-12-14(22-19(13)26-17)6-3-7-15(12)23/h2,4-5,8-9,15,23H,3,6-7,20H2,1H3,(H,21,24)"	COC1=CC=CC(=C1)NC(=O)C2=C(C3=CC4=C(CCCC4O)N=C3S2)N	LANUSCYLTYLKDE-UHFFFAOYSA-N
DG69678	"3-amino-N-(3-chlorophenyl)-5-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	155809667	NSC771540; NSC-771540	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771540	.	.	.	.	373.9	C18H16ClN3O2S	117	511	3.8	25	3	5	2	"InChI=1S/C18H16ClN3O2S/c19-9-3-1-4-10(7-9)21-17(24)16-15(20)12-8-11-13(22-18(12)25-16)5-2-6-14(11)23/h1,3-4,7-8,14,23H,2,5-6,20H2,(H,21,24)"	C1CC(C2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)NC4=CC(=CC=C4)Cl)N)O	XDYCDNPPPXLKCG-UHFFFAOYSA-N
DG69679	(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one	155809679	NSC772282; NSC-772282	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772282	.	.	.	.	273.27	C13H7NO4S	100	431	3.5	19	0	5	1	InChI=1S/C13H7NO4S/c15-13-9-3-1-2-4-10(9)18-11(13)7-8-5-6-12(19-8)14(16)17/h1-7H/b11-7-	C1=CC=C2C(=C1)C(=O)/C(=C/C3=CC=C(S3)[N+](=O)[O-])/O2	FFONSOSBDNEBEX-XFFZJAGNSA-N
DG69680	(2Z)-7-methoxy-2-[(5-nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one	155809680	NSC772284; NSC-772284	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772284	.	.	.	.	303.29	C14H9NO5S	110	475	3.4	21	0	6	2	"InChI=1S/C14H9NO5S/c1-19-10-4-2-3-9-13(16)11(20-14(9)10)7-8-5-6-12(21-8)15(17)18/h2-7H,1H3/b11-7-"	COC1=CC=CC2=C1O/C(=C\\C3=CC=C(S3)[N+](=O)[O-])/C2=O	VTNJVPXKVSVOSJ-XFFZJAGNSA-N
DG69681	(2Z)-6-chloro-2-[(5-nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one	155809681	NSC772285; NSC-772285	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772285	.	.	.	.	307.71	C13H6ClNO4S	100	464	4.1	20	0	5	1	InChI=1S/C13H6ClNO4S/c14-7-1-3-9-10(5-7)19-11(13(9)16)6-8-2-4-12(20-8)15(17)18/h1-6H/b11-6-	C1=CC2=C(C=C1Cl)O/C(=C\\C3=CC=C(S3)[N+](=O)[O-])/C2=O	FDAOXPCBLCQCCV-WDZFZDKYSA-N
DG69682	"3-amino-5-hydroxy-N-(3-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	155809691	NSC772488; NSC-772488	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772488	.	.	.	.	384.4	C18H16N4O4S	162	588	3	27	3	7	2	"InChI=1S/C18H16N4O4S/c19-15-12-8-11-13(5-2-6-14(11)23)21-18(12)27-16(15)17(24)20-9-3-1-4-10(7-9)22(25)26/h1,3-4,7-8,14,23H,2,5-6,19H2,(H,20,24)"	C1CC(C2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-])N)O	DTQJTJUYFHDKIG-UHFFFAOYSA-N
DG69683	"3,4,5-trihydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide"	155809712	NSC773204; NSC-773204	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773204	.	.	.	.	328.3	C16H12N2O4S	131	407	2.7	23	4	6	3	"InChI=1S/C16H12N2O4S/c19-12-6-10(7-13(20)14(12)21)15(22)18-16-17-11(8-23-16)9-4-2-1-3-5-9/h1-8,19-21H,(H,17,18,22)"	C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)O)O)O	FVHYSLXNCCIYTD-UHFFFAOYSA-N
DG69684	"3,4,5-trihydroxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide"	155809713	NSC773205; NSC-773205	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773205	.	.	.	.	358.4	C17H14N2O5S	140	448	2.7	25	4	7	4	"InChI=1S/C17H14N2O5S/c1-24-11-4-2-9(3-5-11)12-8-25-17(18-12)19-16(23)10-6-13(20)15(22)14(21)7-10/h2-8,20-22H,1H3,(H,18,19,23)"	COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)O)O)O	ZPJYKFOXEGISOM-UHFFFAOYSA-N
DG69685	"5,6-dichloro-2-[3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole"	155809730	NSC774957; NSC-774957	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774957	.	.	.	.	447.2	C21H11Cl2F3N4	46	616	6.9	30	1	5	2	"InChI=1S/C21H11Cl2F3N4/c22-13-9-15-16(10-14(13)23)28-19(27-15)18-17-3-1-2-8-30(17)20(29-18)11-4-6-12(7-5-11)21(24,25)26/h1-10H,(H,27,28)"	C1=CC2=C(N=C(N2C=C1)C3=CC=C(C=C3)C(F)(F)F)C4=NC5=CC(=C(C=C5N4)Cl)Cl	PGBYDBUPTXVDCN-UHFFFAOYSA-N
DG69686	NSC776825	155809762	"methyl (1S,15R,17S,18S,19R,20S)-6,18-dimethoxy-17-[(E)-3-(4-methoxy-3-propanoyloxyphenyl)prop-2-enoyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate; NSC776825; NSC-776825"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	776825	.	.	.	.	646.7	C36H42N2O9	126	1150	4.7	47	1	10	12	"InChI=1S/C36H42N2O9/c1-6-31(39)46-29-15-20(7-11-28(29)43-3)8-12-32(40)47-30-16-21-19-38-14-13-24-23-10-9-22(42-2)17-26(23)37-34(24)27(38)18-25(21)33(35(30)44-4)36(41)45-5/h7-12,15,17,21,25,27,30,33,35,37H,6,13-14,16,18-19H2,1-5H3/b12-8+/t21-,25-,27-,30-,33+,35+/m0/s1"	CCC(=O)OC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2C[C@H]3CN4CCC5=C([C@@H]4C[C@@H]3[C@H]([C@@H]2OC)C(=O)OC)NC6=C5C=CC(=C6)OC)OC	ZCXJLKSQNBNGSW-YDUJIRBUSA-N
DG69687	[5-[4-[5-(Hydroxymethyl)furan-2-yl]thiophen-3-yl]furan-2-yl]methanol	155809776	NSC777422; NSC-777422	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777422	.	.	.	.	276.31	C14H12O4S	95	273	1.4	19	2	5	4	"InChI=1S/C14H12O4S/c15-5-9-1-3-13(17-9)11-7-19-8-12(11)14-4-2-10(6-16)18-14/h1-4,7-8,15-16H,5-6H2"	C1=C(OC(=C1)C2=CSC=C2C3=CC=C(O3)CO)CO	KLLLEBRYCASLCV-UHFFFAOYSA-N
DG69688	"4-(1-Methylindol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole"	155809792	NSC778406; NSC-778406	.	.	Investigative Drug(s)	Investigative	Small molecular drug	778406	.	.	.	.	344.4	C20H16N4S	63.9	488	3.7	25	0	3	2	"InChI=1S/C20H16N4S/c1-23-10-15(13-6-3-4-8-18(13)23)17-12-25-20(22-17)16-11-24(2)19-14(16)7-5-9-21-19/h3-12H,1-2H3"	CN1C=C(C2=CC=CC=C21)C3=CSC(=N3)C4=CN(C5=C4C=CC=N5)C	SBIWTBKEIRQOPM-UHFFFAOYSA-N
DG69689	"(E)-1-(1,3-benzodioxol-5-yl)-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-en-1-one"	155809815	NSC780198; NSC-780198	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780198	.	.	.	.	474.5	C28H26O7	72.4	738	6	35	0	7	9	"InChI=1S/C28H26O7/c1-17(21-14-26(31-3)28(33-5)27(15-21)32-4)18-7-10-23(30-2)20(12-18)6-9-22(29)19-8-11-24-25(13-19)35-16-34-24/h6-15H,1,16H2,2-5H3/b9-6+"	COC1=C(C=C(C=C1)C(=C)C2=CC(=C(C(=C2)OC)OC)OC)/C=C/C(=O)C3=CC4=C(C=C3)OCO4	LYZUIPPHPXXKHZ-RMKNXTFCSA-N
DG69690	"5-(2-bromo-4-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine"	155809858	NSC765955; NSC-765955	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765955	.	.	.	.	459.4	C21H19BrN2O3S	68.6	656	4.5	28	0	5	5	"InChI=1S/C21H19BrN2O3S/c1-25-14-5-6-15(16(22)11-14)18-12-17(23-21-24(18)8-9-28-21)13-4-7-19(26-2)20(10-13)27-3/h4-12,18H,1-3H3"	COC1=CC(=C(C=C1)C2C=C(N=C3N2C=CS3)C4=CC(=C(C=C4)OC)OC)Br	DEICCPLCPYFPPX-UHFFFAOYSA-N
DG69691	"1-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-phenyltetrazole"	155809884	NSC756078; NSC-756078	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756078	.	.	.	.	320.3	C17H16N6O	77.2	444	2.7	24	1	6	4	"InChI=1S/C17H16N6O/c1-24-14-9-7-12(8-10-14)15-11-16(19-18-15)23-17(20-21-22-23)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3"	COC1=CC=C(C=C1)C2CC(=NN2)N3C(=NN=N3)C4=CC=CC=C4	UVBOOOFMJIYMEY-UHFFFAOYSA-N
DG69692	"5,10-dihydroxy-3-[[[(2R)-pyrrolidin-2-yl]amino]methyl]-1H-naphtho[2,3-f]indole-4,11-dione"	155809885	NSC766920; NSC-766920	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766920	.	.	.	.	377.4	C21H19N3O4	114	643	3.2	28	5	6	3	"InChI=1S/C21H19N3O4/c25-18-11-4-1-2-5-12(11)19(26)16-15(18)20(27)14-10(9-24-17(14)21(16)28)8-23-13-6-3-7-22-13/h1-2,4-5,9,13,22-26H,3,6-8H2/t13-/m1/s1"	C1C[C@H](NC1)NCC2=CNC3=C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O	WGOXNHGZDZZLDT-CYBMUJFWSA-N
DG69693	"1,3-diphenyl-4-[(5S)-3-phenyl-4,5-dihydro-1H-pyrazol-5-yl]pyrazole"	155809903	NSC757933; NSC-757933	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757933	.	.	.	.	364.4	C24H20N4	42.2	529	5	28	1	3	4	"InChI=1S/C24H20N4/c1-4-10-18(11-5-1)22-16-23(26-25-22)21-17-28(20-14-8-3-9-15-20)27-24(21)19-12-6-2-7-13-19/h1-15,17,23,26H,16H2/t23-/m0/s1"	C1[C@H](NN=C1C2=CC=CC=C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5	IKWHDGOMAWOCTE-QHCPKHFHSA-N
DG69694	"5,6,7,8-Tetrafluorobenzo[f][2,1,3]benzothiadiazole-4,9-dione"	155809942	NSC760476; NSC-760476	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760476	.	.	.	.	288.18	C10F4N2O2S	88.2	402	2.4	19	0	9	0	InChI=1S/C10F4N2O2S/c11-3-1-2(4(12)6(14)5(3)13)10(18)8-7(9(1)17)15-19-16-8	C12=C(C(=C(C(=C1F)F)F)F)C(=O)C3=NSN=C3C2=O	KEWDSIQTRHIXFE-UHFFFAOYSA-N
DG69695	"Ethyl 13-[(3,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-12-carboxylate"	155809962	CHEMBL4747905; NSC766978; NSC-766978	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766978	.	.	.	.	396.4	C22H24N2O5	75.7	549	3.7	29	0	6	7	"InChI=1S/C22H24N2O5/c1-4-28-22(25)19-10-15-6-5-7-16-12-23-29-21(16)20(15)24(19)13-14-8-17(26-2)11-18(9-14)27-3/h8-12H,4-7,13H2,1-3H3"	CCOC(=O)C1=CC2=C(N1CC3=CC(=CC(=C3)OC)OC)C4=C(CCC2)C=NO4	YNGBQIFIRITUMH-UHFFFAOYSA-N
DG69696	"3-[(Z)-[1-(4-methoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol"	155810040	NSC761824; NSC-761824	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761824	.	.	.	.	417.5	C27H19N3O2	70	851	5	32	2	4	3	"InChI=1S/C27H19N3O2/c1-32-18-12-10-16(11-13-18)25-26-21(19-6-2-4-8-23(19)29-26)14-17(28-25)15-22-20-7-3-5-9-24(20)30-27(22)31/h2-15,30-31H,1H3/b17-15-"	COC1=CC=C(C=C1)C2=N/C(=C\\C3=C(NC4=CC=CC=C43)O)/C=C5C2=NC6=CC=CC=C65	PKODVOHQXXGHJV-ICFOKQHNSA-N
DG69697	"1-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine"	155810047	NSC766330; NSC-766330	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766330	.	.	.	.	370.4	C22H18N4O2	64.4	527	4.7	28	1	4	4	"InChI=1S/C22H18N4O2/c1-27-15-8-6-14(7-9-15)22-25-20(19-5-3-4-12-26(19)22)21-23-17-11-10-16(28-2)13-18(17)24-21/h3-13H,1-2H3,(H,23,24)"	COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=C(N4)C=C(C=C5)OC	KHVHWUWRNUXTIB-UHFFFAOYSA-N
DG69698	"5,6-dichloro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole"	155810048	NSC766337; NSC-766337	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766337	.	.	.	.	409.3	C21H14Cl2N4O	55.2	547	6	28	1	3	3	"InChI=1S/C21H14Cl2N4O/c1-28-13-7-5-12(6-8-13)21-26-19(18-4-2-3-9-27(18)21)20-24-16-10-14(22)15(23)11-17(16)25-20/h2-11H,1H3,(H,24,25)"	COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=CC(=C(C=C5N4)Cl)Cl	MMLCOPMVLJTWAR-UHFFFAOYSA-N
DG69699	"5-chloro-3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol"	155810050	NSC763633; NSC-763633	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763633	.	.	.	.	407.8	C22H12ClF2N3O	60.7	826	5.1	29	2	4	2	"InChI=1S/C22H12ClF2N3O/c23-13-2-4-18-16(9-13)17(22(29)28-18)5-11-1-3-19-20(6-11)27-21(26-19)12-7-14(24)10-15(25)8-12/h1-10,28-29H/b11-5-"	C1=CC2=C(C=C1Cl)C(=C(N2)O)/C=C\\3/C=CC4=NC(=NC4=C3)C5=CC(=CC(=C5)F)F	GWNVINVNUUSGEG-WZUFQYTHSA-N
DG69700	NSC781520	155810101	"16-chloro-20-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione; NSC781520; NSC-781520"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781520	.	.	.	.	459.8	C22H18ClNO8	137	820	0.3	32	4	8	5	"InChI=1S/C22H18ClNO8/c23-9-1-2-10-13(3-9)22(30)24(6-14(26)21(29)15(27)7-25)19-11-4-16-17(32-8-31-16)5-12(11)20(28)18(10)19/h1-5,14-15,21,25-27,29H,6-8H2/t14-,15+,21+/m0/s1"	C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)Cl)C(=O)N4C[C@@H]([C@H]([C@@H](CO)O)O)O	YWBXGXQCSWWXJB-PDSXEYIOSA-N
DG69701	NSC787536	155810133	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[(4-methoxyphenyl)methyl]carbamate; NSC787536; NSC-787536"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787536	.	.	.	.	427.5	C24H29NO6	86.4	740	3	31	1	6	6	"InChI=1S/C24H29NO6/c1-15-19-11-8-17(5-4-12-24(2)21(31-24)20(19)30-22(15)26)14-29-23(27)25-13-16-6-9-18(28-3)10-7-16/h5-7,9-10,19-21H,1,4,8,11-14H2,2-3H3,(H,25,27)/b17-5+/t19-,20-,21-,24+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCC4=CC=C(C=C4)OC	KGHKGTKTGHKCJZ-YDCNECLWSA-N
DG69702	[4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(4-methoxyphenyl)-2-methylprop-1-enyl]phenyl] N-benzylcarbamate	155810139	NSC798069; NSC-798069	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798069	.	.	.	.	578.7	C37H42N2O4	60	813	8.8	43	1	5	15	"InChI=1S/C37H42N2O4/c1-5-39(6-2)24-25-42-34-20-14-31(15-21-34)36(28(3)26-29-12-18-33(41-4)19-13-29)32-16-22-35(23-17-32)43-37(40)38-27-30-10-8-7-9-11-30/h7-23H,5-6,24-27H2,1-4H3,(H,38,40)/b36-28-"	CCN(CC)CCOC1=CC=C(C=C1)/C(=C(\\C)/CC2=CC=C(C=C2)OC)/C3=CC=C(C=C3)OC(=O)NCC4=CC=CC=C4	FIROTQROYZWXTK-DKJXEYTPSA-N
DG69703	"7-Chloro-3-phenyl-5-pyridin-3-yl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione"	155810145	NSC781113; NSC-781113	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781113	.	.	.	.	356.9	C16H9ClN4S2	99.3	446	4.2	23	0	5	2	InChI=1S/C16H9ClN4S2/c17-13-12-15(20-14(19-13)10-5-4-8-18-9-10)21(16(22)23-12)11-6-2-1-3-7-11/h1-9H	C1=CC=C(C=C1)N2C3=C(C(=NC(=N3)C4=CN=CC=C4)Cl)SC2=S	WGCGHPNOMDXPGG-UHFFFAOYSA-N
DG69704	"11-(3-Bromophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine"	155810163	NSC781929; NSC-781929	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781929	.	.	.	.	403.3	C21H15BrN4	64.7	502	3.7	26	1	4	1	"InChI=1S/C21H15BrN4/c22-14-3-1-2-12(8-14)17-9-13-10-24-6-4-15(13)20-19(17)18-11-25-7-5-16(18)21(23)26-20/h1-8,10-11,17H,9H2,(H2,23,26)"	C1C(C2=C(C3=C1C=NC=C3)N=C(C4=C2C=NC=C4)N)C5=CC(=CC=C5)Br	LIRYCWARRXNXFD-UHFFFAOYSA-N
DG69705	(Z)-2-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one	155810169	NSC791687; NSC-791687	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791687	.	.	.	.	427.9	C22H15ClFNO3S	88.2	587	6.5	29	0	5	6	"InChI=1S/C22H15ClFNO3S/c23-18-7-1-16(2-8-18)14-29-21(22(26)17-5-9-19(24)10-6-17)13-15-3-11-20(12-4-15)25(27)28/h1-13H,14H2/b21-13-"	C1=CC(=CC=C1CS/C(=C\\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)C3=CC=C(C=C3)F)Cl	UFZCYLWLYWLGSX-BKUYFWCQSA-N
DG69706	4-[bis(1H-pyrrol-2-yl)methyl]-6-methoxychromen-2-one	155810199	NSC788353; NSC-788353	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788353	.	.	.	.	320.3	C19H16N2O3	67.1	491	2.5	24	2	3	4	"InChI=1S/C19H16N2O3/c1-23-12-6-7-17-13(10-12)14(11-18(22)24-17)19(15-4-2-8-20-15)16-5-3-9-21-16/h2-11,19-21H,1H3"	COC1=CC2=C(C=C1)OC(=O)C=C2C(C3=CC=CN3)C4=CC=CN4	SOEWKZHDGLLZRP-UHFFFAOYSA-N
DG69707	"4-Chloro-8-methoxy-6,11-dimethyl-5,6-dihydropyrimido[4,5-b][1]benzazepine"	155810218	NSC782537; NSC-782537	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782537	.	.	.	.	289.76	C15H16ClN3O	38.2	343	3.8	20	0	4	1	"InChI=1S/C15H16ClN3O/c1-9-6-12-14(16)17-8-18-15(12)19(2)13-5-4-10(20-3)7-11(9)13/h4-5,7-9H,6H2,1-3H3"	CC1CC2=C(N=CN=C2Cl)N(C3=C1C=C(C=C3)OC)C	PQUFKMXLZLNEQG-UHFFFAOYSA-N
DG69708	[4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-hexylcarbamate	155810225	NSC797676; NSC-797676	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797676	.	.	.	.	540.7	C35H44N2O3	50.8	740	9.5	40	1	4	14	"InChI=1S/C35H44N2O3/c1-3-4-5-10-23-36-35(38)40-33-21-17-31(18-22-33)34(28(2)29-13-8-6-9-14-29)30-15-19-32(20-16-30)39-27-26-37-24-11-7-12-25-37/h6,8-9,13-22H,3-5,7,10-12,23-27H2,1-2H3,(H,36,38)/b34-28+"	CCCCCCNC(=O)OC1=CC=C(C=C1)/C(=C(\\C)/C2=CC=CC=C2)/C3=CC=C(C=C3)OCCN4CCCCC4	UNIFSAKSHJWPOQ-CDSHQWRTSA-N
DG69709	"N,N-diethyl-2-[(5Z)-5-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]acetamide"	155810237	NSC787813; NSC-787813	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787813	.	.	.	.	380.5	C22H28N4O2	73.5	678	1.7	28	2	3	7	"InChI=1S/C22H28N4O2/c1-6-26(7-2)22(27)11-16-14(3)18(24-15(16)4)12-20-21(28-5)13-19(25-20)17-9-8-10-23-17/h8-10,12-13,23,25H,6-7,11H2,1-5H3/b18-12-"	CCN(CC)C(=O)CC1=C(/C(=C/C2=C(C=C(N2)C3=CC=CN3)OC)/N=C1C)C	JQWUHFXEGONPOQ-PDGQHHTCSA-N
DG69710	"2-chloro-N-(2-chloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide"	155810268	NSC797558; NSC-797558	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797558	.	.	.	.	468.3	C22H23Cl2NO6	82.1	620	4.3	31	0	6	8	"InChI=1S/C22H23Cl2NO6/c1-12-8-14(9-13(2)21(12)30-4)20(28)15-6-7-16(29-3)19(22(15)31-5)25(17(26)10-23)18(27)11-24/h6-9H,10-11H2,1-5H3"	CC1=CC(=CC(=C1OC)C)C(=O)C2=C(C(=C(C=C2)OC)N(C(=O)CCl)C(=O)CCl)OC	LMRRZVWNVPZYNG-UHFFFAOYSA-N
DG69711	"4-Chloro-8-methoxy-2,6,11-trimethyl-5,6-dihydropyrimido[4,5-b][1]benzazepine"	155810275	NSC782539; NSC-782539	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782539	.	.	.	.	303.78	C16H18ClN3O	38.2	369	4.2	21	0	4	1	"InChI=1S/C16H18ClN3O/c1-9-7-13-15(17)18-10(2)19-16(13)20(3)14-6-5-11(21-4)8-12(9)14/h5-6,8-9H,7H2,1-4H3"	CC1CC2=C(N=C(N=C2Cl)C)N(C3=C1C=C(C=C3)OC)C	WPLWGOVJGCMCNE-UHFFFAOYSA-N
DG69712	NSC796317	155810288	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 2-[2-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methoxy]-2-oxoethyl]sulfanylacetate; NSC796317; NSC-796317"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	796317	.	.	.	.	642.8	C34H42O10S	156	1250	3.8	45	0	11	10	"InChI=1S/C34H42O10S/c1-19-23-11-9-21(7-5-13-33(3)29(43-33)27(23)41-31(19)37)15-39-25(35)17-45-18-26(36)40-16-22-8-6-14-34(4)30(44-34)28-24(12-10-22)20(2)32(38)42-28/h7-8,23-24,27-30H,1-2,5-6,9-18H2,3-4H3/b21-7+,22-8+/t23-,24-,27-,28-,29-,30-,33+,34+/m0/s1"	C[C@]12O[C@H]1[C@H]3OC(=O)C(=C)[C@@H]3CC/C(=C\\CC2)/COC(=O)CSCC(=O)OC/C/4=C/CC[C@]5(O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4)C	BYOHTFOIFKNLFT-MYZIRJGNSA-N
DG69713	(Z)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-3-(4-nitrophenyl)prop-2-en-1-one	155810296	NSC791686; NSC-791686	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791686	.	.	.	.	427.9	C22H15ClFNO3S	88.2	587	6.5	29	0	5	6	"InChI=1S/C22H15ClFNO3S/c23-18-7-5-17(6-8-18)22(26)21(29-14-16-1-9-19(24)10-2-16)13-15-3-11-20(12-4-15)25(27)28/h1-13H,14H2/b21-13-"	C1=CC(=CC=C1CS/C(=C\\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)C3=CC=C(C=C3)Cl)F	HEVMZSUFSUNQIZ-BKUYFWCQSA-N
DG69714	NSC797533	155810297	"10-Ethyl-2,25-dioxa-10-azahexacyclo[12.11.0.03,12.04,9.015,24.017,22]pentacosa-1(14),3(12),4,6,8,15(24),17,19,21-nonaene-11,13,16,23-tetrone; NSC797533; NSC-797533"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797533	.	.	.	.	411.4	C24H13NO6	93.9	908	3.5	31	0	6	1	"InChI=1S/C24H13NO6/c1-2-25-14-10-6-5-9-13(14)21-17(23(25)29)20(28)16-15-18(26)11-7-3-4-8-12(11)19(27)22(15)31-24(16)30-21/h3-10H,2H2,1H3"	CCN1C2=CC=CC=C2C3=C(C1=O)C(=O)C4=C(O3)OC5=C4C(=O)C6=CC=CC=C6C5=O	KTQDEYDTAWBYDI-UHFFFAOYSA-N
DG69715	"1-Cyclopropyl-6-fluoro-7-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid"	155810298	NSC784085; NSC-784085	.	.	Investigative Drug(s)	Investigative	Small molecular drug	784085	.	.	.	.	547.6	C28H26FN5O4S	134	994	3.9	39	2	9	5	"InChI=1S/C28H26FN5O4S/c1-16-2-4-17(5-3-16)22-15-39-27(30-22)31-28(38)33-10-8-32(9-11-33)24-13-23-19(12-21(24)29)25(35)20(26(36)37)14-34(23)18-6-7-18/h2-5,12-15,18H,6-11H2,1H3,(H,36,37)(H,30,31,38)"	CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F	PMLSVERAMZAKCS-UHFFFAOYSA-N
DG69716	"N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(thieno[3,2-b]pyridin-7-ylamino)-1H-pyrazole-5-carboxamide"	155810317	NSC781144; NSC-781144	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781144	.	.	.	.	447.6	C23H25N7OS	117	624	3.2	32	3	7	6	"InChI=1S/C23H25N7OS/c1-29-9-11-30(12-10-29)15-16-2-4-17(5-3-16)26-23(31)21-20(14-25-28-21)27-19-6-8-24-18-7-13-32-22(18)19/h2-8,13-14H,9-12,15H2,1H3,(H,24,27)(H,25,28)(H,26,31)"	CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=C5C(=NC=C4)C=CS5	KGPALMZNPQDLHX-UHFFFAOYSA-N
DG69717	NSC785628	155810361	"15,16-dimethoxy-20-[(3R)-oxolan-3-yl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione; NSC785628; NSC-785628"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785628	.	.	.	.	421.4	C23H19NO7	83.5	812	2.2	31	0	7	3	"InChI=1S/C23H19NO7/c1-27-16-5-12-15(8-17(16)28-2)23(26)24(11-3-4-29-9-11)21-13-6-18-19(31-10-30-18)7-14(13)22(25)20(12)21/h5-8,11H,3-4,9-10H2,1-2H3/t11-/m1/s1"	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)[C@@H]6CCOC6)OC	XRIVEXDSZASUKU-LLVKDONJSA-N
DG69718	"6-Ethyl-2,5,11-trimethylpyrido[4,3-b]carbazol-2-ium-9-ol"	155810393	NSC785690; NSC-785690	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785690	.	.	.	.	305.4	C20H21N2O+	29	441	4.3	23	1	1	1	"InChI=1S/C20H20N2O/c1-5-22-18-7-6-14(23)10-16(18)19-12(2)17-11-21(4)9-8-15(17)13(3)20(19)22/h6-11H,5H2,1-4H3/p+1"	CCN1C2=C(C=C(C=C2)O)C3=C1C(=C4C=C[N+](=CC4=C3C)C)C	NBLRCYIHDRMHBO-UHFFFAOYSA-O
DG69719	NSC787533	155810394	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[(3,5-dimethoxyphenyl)methyl]carbamate; NSC787533; NSC-787533"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787533	.	.	.	.	457.5	C25H31NO7	95.6	784	2.9	33	1	7	7	"InChI=1S/C25H31NO7/c1-15-20-8-7-16(6-5-9-25(2)22(33-25)21(20)32-23(15)27)14-31-24(28)26-13-17-10-18(29-3)12-19(11-17)30-4/h6,10-12,20-22H,1,5,7-9,13-14H2,2-4H3,(H,26,28)/b16-6+/t20-,21-,22-,25+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCC4=CC(=CC(=C4)OC)OC	ZGYCZXNCYJQEEC-OCIWOEGMSA-N
DG69720	2-amino-4-(6-chloro-2-oxochromen-4-yl)-4H-benzo[h]chromene-3-carbonitrile	155810447	NSC794655; NSC-794655	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794655	.	.	.	.	400.8	C23H13ClN2O3	85.3	812	4.7	29	1	5	1	"InChI=1S/C23H13ClN2O3/c24-13-6-8-19-16(9-13)17(10-20(27)28-19)21-15-7-5-12-3-1-2-4-14(12)22(15)29-23(26)18(21)11-25/h1-10,21H,26H2"	C1=CC=C2C(=C1)C=CC3=C2OC(=C(C3C4=CC(=O)OC5=C4C=C(C=C5)Cl)C#N)N	JDXVDBZXQFSPTP-UHFFFAOYSA-N
DG69721	"N-[5-(4-chlorophenyl)-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-2,2,2-trifluoroacetamide"	155810449	NSC789684; NSC-789684	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789684	.	.	.	.	466.9	C19H10ClF3N4OS2	116	656	5.5	30	1	8	3	"InChI=1S/C19H10ClF3N4OS2/c20-11-8-6-10(7-9-11)14-24-15(26-17(28)19(21,22)23)13-16(25-14)27(18(29)30-13)12-4-2-1-3-5-12/h1-9H,(H,24,25,26,28)"	C1=CC=C(C=C1)N2C3=NC(=NC(=C3SC2=S)NC(=O)C(F)(F)F)C4=CC=C(C=C4)Cl	SUXMEWZMZNVCOC-UHFFFAOYSA-N
DG69722	"(2Z,4E)-5-(3-chlorophenyl)-2-methylsulfinylpenta-2,4-dienenitrile"	155810455	NSC780927; NSC-780927	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780927	.	.	.	.	251.73	C12H10ClNOS	60.1	367	2.7	16	0	3	3	"InChI=1S/C12H10ClNOS/c1-16(15)12(9-14)7-3-5-10-4-2-6-11(13)8-10/h2-8H,1H3/b5-3+,12-7-"	CS(=O)/C(=C\\C=C\\C1=CC(=CC=C1)Cl)/C#N	KAYFQNPAMMCIGZ-FMVMLBDOSA-N
DG69723	NSC782394	155810469	"(2S,3S)-3-[(3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2S,4R,5R)-4-[(2S,4R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-2-[(2S,4R,5R)-5-hydroxy-4-[(2S,4R,5S)-5-hydroxy-4-[(2S,4R,5S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-7-methyl-3,4-dihydro-2H-anthracen-1-one; 12677-11-1; NSC782394; NSC-782394"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782394	.	.	.	.	1085.1	C52H76O24	347	1900	1	76	10	24	16	"InChI=1S/C52H76O24/c1-18-30(72-36-15-31(44(59)21(4)68-36)73-34-13-28(54)43(58)20(3)67-34)12-26-10-25-11-27(51(66-9)49(64)42(57)19(2)53)52(48(63)40(25)47(62)39(26)41(18)56)76-38-17-33(46(61)23(6)70-38)75-37-16-32(45(60)22(5)69-37)74-35-14-29(55)50(65-8)24(7)71-35/h10,12,19-24,27-29,31-38,42-46,50-62H,11,13-17H2,1-9H3/t19-,20 ,21 ,22 ,23 ,24 ,27+,28-,29-,31-,32-,33-,34+,35+,36+,37+,38+,42+,43-,44-,45+,46-,50-,51 ,52+/m1/s1"	CC1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2C[C@@H](OC([C@H]2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)C(C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]6C[C@H]([C@@H](C(O6)C)O)O[C@H]7C[C@H]([C@H](C(O7)C)O)O[C@H]8C[C@H]([C@@H](C(O8)C)OC)O)C(=C4C(=C3C)O)O)O)O	NKGFIFLSQXHQOK-MDZWDICZSA-N
DG69724	"6-chloro-2-(4-chlorophenyl)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide"	155810497	NSC797698; NSC-797698	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797698	.	.	.	.	510.8	C25H14Cl3N3OS	83.1	679	7.6	33	1	4	4	"InChI=1S/C25H14Cl3N3OS/c26-15-7-5-14(6-8-15)22-12-19(18-11-16(27)9-10-21(18)29-22)24(32)31-25-30-23(13-33-25)17-3-1-2-4-20(17)28/h1-13H,(H,30,31,32)"	C1=CC=C(C(=C1)C2=CSC(=N2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)Cl)Cl	QCAWZOUFQJHHRL-UHFFFAOYSA-N
DG69725	"7-Amino-5-(4-chlorophenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione"	155810499	NSC781114; NSC-781114	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781114	.	.	.	.	370.9	C17H11ClN4S2	112	466	4.6	24	1	5	2	"InChI=1S/C17H11ClN4S2/c18-11-8-6-10(7-9-11)15-20-14(19)13-16(21-15)22(17(23)24-13)12-4-2-1-3-5-12/h1-9H,(H2,19,20,21)"	C1=CC=C(C=C1)N2C3=NC(=NC(=C3SC2=S)N)C4=CC=C(C=C4)Cl	AJTSSPAMBYGUDE-UHFFFAOYSA-N
DG69726	"2-amino-4-(2,3-dihydro-1-benzofuran-5-yl)-7-(dimethylamino)-4H-chromene-3-carbonitrile"	155810515	NSC787853; NSC-787853	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787853	.	.	.	.	333.4	C20H19N3O2	71.5	593	3.4	25	1	5	2	"InChI=1S/C20H19N3O2/c1-23(2)14-4-5-15-18(10-14)25-20(22)16(11-21)19(15)13-3-6-17-12(9-13)7-8-24-17/h3-6,9-10,19H,7-8,22H2,1-2H3"	CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCC4	FURBAIGAMDGGQK-UHFFFAOYSA-N
DG69727	"6,11-Dimethyl-4-(5-methylbenzimidazol-1-yl)-5,6-dihydropyrimido[4,5-b][1]benzazepine"	155810655	NSC786144; NSC-786144	.	.	Investigative Drug(s)	Investigative	Small molecular drug	786144	.	.	.	.	355.4	C22H21N5	46.8	527	4.7	27	0	4	1	"InChI=1S/C22H21N5/c1-14-8-9-20-18(10-14)25-13-27(20)22-17-11-15(2)16-6-4-5-7-19(16)26(3)21(17)23-12-24-22/h4-10,12-13,15H,11H2,1-3H3"	CC1CC2=C(N=CN=C2N(C3=CC=CC=C13)C)N4C=NC5=C4C=CC(=C5)C	IVVDPBMPXSPFJZ-UHFFFAOYSA-N
DG69728	6-fluoro-3-(3-fluorophenyl)-2H-isoquinolin-1-one	155810671	NSC795055; NSC-795055	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795055	.	.	.	.	257.23	C15H9F2NO	29.1	396	3.2	19	1	3	1	"InChI=1S/C15H9F2NO/c16-11-3-1-2-9(6-11)14-8-10-7-12(17)4-5-13(10)15(19)18-14/h1-8H,(H,18,19)"	C1=CC(=CC(=C1)F)C2=CC3=C(C=CC(=C3)F)C(=O)N2	ALUOVSMIKCVEQC-UHFFFAOYSA-N
DG69729	NSC797586	155810677	"N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide; NSC797586; NSC-797586"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797586	.	.	.	.	451.6	C28H37NO4	67.9	794	4.8	33	1	4	6	"InChI=1S/C28H37NO4/c1-17(2)15-20-8-11-22(12-9-20)18(3)26(30)29-16-21-7-6-14-28(5)25(33-28)24-23(13-10-21)19(4)27(31)32-24/h7-9,11-12,17-18,23-25H,4,6,10,13-16H2,1-3,5H3,(H,29,30)/b21-7+/t18 ,23-,24-,25-,28+/m0/s1"	CC(C)CC1=CC=C(C=C1)C(C)C(=O)NC/C/2=C/CC[C@@]3([C@@H](O3)[C@@H]4[C@@H](CC2)C(=C)C(=O)O4)C	MHWDIEYCBPYGLO-WGXNNALFSA-N
DG69730	"8-(3-Cyclohexylbenzimidazol-5-yl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazine"	155810732	NSC795379; NSC-795379	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795379	.	.	.	.	423.5	C26H25N5O	57.2	619	5.2	32	0	4	4	"InChI=1S/C26H25N5O/c1-32-21-10-7-18(8-11-21)23-16-30-14-13-27-26(30)25(29-23)19-9-12-22-24(15-19)31(17-28-22)20-5-3-2-4-6-20/h7-17,20H,2-6H2,1H3"	COC1=CC=C(C=C1)C2=CN3C=CN=C3C(=N2)C4=CC5=C(C=C4)N=CN5C6CCCCC6	VGPAWEQJKSLZJA-UHFFFAOYSA-N
DG69731	1-[4-(4-Chlorophenyl)-3-cyanothiophen-2-yl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea	155810743	NSC785510; NSC-785510	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785510	.	.	.	.	456.3	C19H10Cl2F3N3OS	93.2	636	6.5	29	2	6	3	"InChI=1S/C19H10Cl2F3N3OS/c20-11-3-1-10(2-4-11)14-9-29-17(13(14)8-25)27-18(28)26-12-5-6-16(21)15(7-12)19(22,23)24/h1-7,9H,(H2,26,27,28)"	C1=CC(=CC=C1C2=CSC(=C2C#N)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)Cl	JHHNAHWIIHRBKV-UHFFFAOYSA-N
DG69732	"N-[2-[[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide"	155810765	NSC797764; NSC-797764	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797764	.	.	.	.	477.6	C27H31N3O3S	119	742	7.2	34	3	5	7	"InChI=1S/C27H31N3O3S/c1-26(2,3)18-14-17(23(31)20(15-18)27(4,5)6)16-28-30-24(32)19-10-7-8-11-21(19)29-25(33)22-12-9-13-34-22/h7-16,31H,1-6H3,(H,29,33)(H,30,32)/b28-16+"	CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)/C=N/NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CS3	KQEDZSKGRQCSEG-LQKURTRISA-N
DG69733	"(3R)-3-chloro-4-(4-methylsulfanylphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one"	155810771	NSC788818; NSC-788818	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788818	.	.	.	.	393.9	C19H20ClNO4S	73.3	474	3.7	26	0	5	6	"InChI=1S/C19H20ClNO4S/c1-23-14-9-12(10-15(24-2)18(14)25-3)21-17(16(20)19(21)22)11-5-7-13(26-4)8-6-11/h5-10,16-17H,1-4H3/t16-,17 /m1/s1"	COC1=CC(=CC(=C1OC)OC)N2C([C@H](C2=O)Cl)C3=CC=C(C=C3)SC	KTBCTQSJQQXDMB-TZHYSIJRSA-N
DG69734	"4-[7-chloro-2-[(4-fluorophenyl)methyl]-1,3-dioxo-5H-pyrrolo[3,4-b][1,4]benzoxazepin-4-yl]benzonitrile"	155810791	NSC789279; NSC-789279	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789279	.	.	.	.	459.9	C25H15ClFN3O3	73.6	869	4.6	33	0	6	3	"InChI=1S/C25H15ClFN3O3/c26-18-5-10-21-17(11-18)14-29(20-8-3-15(12-28)4-9-20)22-23(33-21)25(32)30(24(22)31)13-16-1-6-19(27)7-2-16/h1-11H,13-14H2"	C1C2=C(C=CC(=C2)Cl)OC3=C(N1C4=CC=C(C=C4)C#N)C(=O)N(C3=O)CC5=CC=C(C=C5)F	HJNSQTAZKHMMIJ-UHFFFAOYSA-N
DG69735	"2-amino-4-(tetrazolo[1,5-a]quinolin-4-yl)-4H-benzo[h]chromene-3-carbonitrile"	155810857	NSC802661; NSC-802661	.	.	Investigative Drug(s)	Investigative	Small molecular drug	802661	.	.	.	.	390.4	C23H14N6O	102	760	4.3	30	1	6	1	"InChI=1S/C23H14N6O/c24-12-18-20(16-10-9-13-5-1-3-7-15(13)21(16)30-22(18)25)17-11-14-6-2-4-8-19(14)29-23(17)26-27-28-29/h1-11,20H,25H2"	C1=CC=C2C(=C1)C=CC3=C2OC(=C(C3C4=CC5=CC=CC=C5N6C4=NN=N6)C#N)N	HBSPNNFSDCBCEH-UHFFFAOYSA-N
DG69736	NSC799650	155810917	"N-(4-piperazin-1-ylphenyl)-4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)-1H-pyrazole-5-carboxamide; NSC799650; NSC-799650"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799650	.	.	.	.	460.6	C23H24N8OS	139	685	3.6	33	4	8	5	"InChI=1S/C23H24N8OS/c32-22(28-14-4-6-15(7-5-14)31-10-8-24-9-11-31)20-17(12-27-30-20)29-21-19-16-2-1-3-18(16)33-23(19)26-13-25-21/h4-7,12-13,24H,1-3,8-11H2,(H,27,30)(H,28,32)(H,25,26,29)"	C1CC2=C(C1)SC3=NC=NC(=C23)NC4=C(NN=C4)C(=O)NC5=CC=C(C=C5)N6CCNCC6	AOUKPCAVTZURHO-UHFFFAOYSA-N
DG69737	NSC799260	155810963	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[[4-[[2-(2-chloroethyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]methyl]phenyl]methyl]carbamate; NSC799260; NSC-799260"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799260	.	.	.	.	590.1	C28H32ClN3O7S	143	1080	3.2	40	1	8	9	"InChI=1S/C28H32ClN3O7S/c1-17-21-10-9-20(4-3-11-28(2)23(39-28)22(21)38-24(17)33)16-37-25(34)30-14-18-5-7-19(8-6-18)15-31-26(35)32(13-12-29)40-27(31)36/h4-8,21-23H,1,3,9-16H2,2H3,(H,30,34)/b20-4+/t21-,22-,23-,28+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCC4=CC=C(C=C4)CN5C(=O)N(SC5=O)CCCl	KZOVLJJXKYZWBI-FTKJOGDLSA-N
DG69738	3-fluoro-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]propyl]benzenesulfonamide	155810995	NSC783553; NSC-783553	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783553	.	.	.	.	557.6	C30H28FN5O3S	107	870	6.1	40	2	8	11	"InChI=1S/C30H28FN5O3S/c1-39-26-12-5-8-23(18-26)30-28(21-36(35-30)25-10-3-2-4-11-25)22-14-17-33-29(19-22)32-15-7-16-34-40(37,38)27-13-6-9-24(31)20-27/h2-6,8-14,17-21,34H,7,15-16H2,1H3,(H,32,33)"	COC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)NCCCNS(=O)(=O)C4=CC=CC(=C4)F)C5=CC=CC=C5	ATESBWWGIDMHLN-UHFFFAOYSA-N
DG69739	NSC794112	155811000	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[2-(1H-indol-3-yl)ethyl]carbamate; NSC794112; NSC-794112"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794112	.	.	.	.	450.5	C26H30N2O5	93	826	3.6	33	2	5	6	"InChI=1S/C26H30N2O5/c1-16-19-10-9-17(6-5-12-26(2)23(33-26)22(19)32-24(16)29)15-31-25(30)27-13-11-18-14-28-21-8-4-3-7-20(18)21/h3-4,6-8,14,19,22-23,28H,1,5,9-13,15H2,2H3,(H,27,30)/b17-6+/t19-,22-,23-,26+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCCC4=CNC5=CC=CC=C54	VOSYYVVFRFJSNC-CFMNMBJRSA-N
DG69740	"(11Z)-3,5-diethyl-11-(2-oxo-1-prop-2-enylindol-3-ylidene)-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione"	155811052	NSC803209; NSC-803209	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803209	.	.	.	.	438.5	C21H22N6O3S	114	917	2.4	31	1	6	4	"InChI=1S/C21H22N6O3S/c1-4-11-26-13-10-8-7-9-12(13)14(18(26)28)15-19(29)27-17-16(22-23-20(27)31-15)24(5-2)21(30)25(17)6-3/h4,7-10,16-17,22H,1,5-6,11H2,2-3H3/b15-14-"	CCN1C2C(N(C1=O)CC)N3C(=O)/C(=C/4\\C5=CC=CC=C5N(C4=O)CC=C)/SC3=NN2	TWKINMOTSUUZOA-PFONDFGASA-N
DG69741	"(11Z)-3,5-diethyl-11-(2-oxo-1-propan-2-ylindol-3-ylidene)-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione"	155811115	NSC799674; NSC-799674	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799674	.	.	.	.	440.5	C21H24N6O3S	114	902	2.6	31	1	6	3	"InChI=1S/C21H24N6O3S/c1-5-24-16-17(25(6-2)21(24)30)27-19(29)15(31-20(27)23-22-16)14-12-9-7-8-10-13(12)26(11(3)4)18(14)28/h7-11,16-17,22H,5-6H2,1-4H3/b15-14-"	CCN1C2C(N(C1=O)CC)N3C(=O)/C(=C/4\\C5=CC=CC=C5N(C4=O)C(C)C)/SC3=NN2	OIUOJZJONIMIOP-PFONDFGASA-N
DG69742	"2-Amino-7-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione"	155811166	NSC799299; NSC-799299	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799299	.	.	.	.	310.3	C17H14N2O4	85.8	539	2.6	23	1	5	1	"InChI=1S/C17H14N2O4/c1-7-12-10-5-4-9(22-3)6-11(10)23-15(12)8(2)14-13(7)16(20)19(18)17(14)21/h4-6H,18H2,1-3H3"	CC1=C2C3=C(C=C(C=C3)OC)OC2=C(C4=C1C(=O)N(C4=O)N)C	BFUMPJCOHXUMFA-UHFFFAOYSA-N
DG69743	"3-(1H-benzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indole"	155811194	NSC765815; NSC-765815	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765815	.	.	.	.	450.5	C27H22N4O3	85	683	5.2	34	2	5	5	"InChI=1S/C27H22N4O3/c1-32-22-12-15(13-23(33-2)26(22)34-3)24-25-17(16-8-4-5-9-18(16)28-25)14-21(29-24)27-30-19-10-6-7-11-20(19)31-27/h4-14,28H,1-3H3,(H,30,31)"	COC1=CC(=CC(=C1OC)OC)C2=C3C(=CC(=N2)C4=NC5=CC=CC=C5N4)C6=CC=CC=C6N3	AHQIBKSTSOGTMK-UHFFFAOYSA-N
DG69744	"5-chloro-3-[(Z)-[2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol"	155811197	NSC763692; NSC-763692	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763692	.	.	.	.	461.9	C25H20ClN3O4	88.4	899	4.8	33	2	5	5	"InChI=1S/C25H20ClN3O4/c1-31-21-10-14(11-22(32-2)23(21)33-3)24-27-19-6-4-13(9-20(19)28-24)8-17-16-12-15(26)5-7-18(16)29-25(17)30/h4-12,29-30H,1-3H3/b13-8-"	COC1=CC(=CC(=C1OC)OC)C2=NC3=C/C(=C\\C4=C(NC5=C4C=C(C=C5)Cl)O)/C=CC3=N2	YERKNGQZWXFQPD-JYRVWZFOSA-N
DG69745	"3-[(Z)-[1-(4-fluorophenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-5-methoxy-1H-indol-2-ol"	155811201	NSC761822; NSC-761822	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761822	.	.	.	.	435.4	C27H18FN3O2	70	888	5.1	33	2	5	3	"InChI=1S/C27H18FN3O2/c1-33-18-10-11-24-20(14-18)22(27(32)31-24)13-17-12-21-19-4-2-3-5-23(19)30-26(21)25(29-17)15-6-8-16(28)9-7-15/h2-14,31-32H,1H3/b17-13-"	COC1=CC2=C(C=C1)NC(=C2/C=C\\3/C=C4C5=CC=CC=C5N=C4C(=N3)C6=CC=C(C=C6)F)O	MNCCKMQUTIOUPA-LGMDPLHJSA-N
DG69746	"3-[(Z)-[1-(4-fluoro-3-methoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol"	155811210	NSC761826; NSC-761826	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761826	.	.	.	.	435.4	C27H18FN3O2	70	896	5.1	33	2	5	3	"InChI=1S/C27H18FN3O2/c1-33-24-12-15(10-11-21(24)28)25-26-19(17-6-2-4-8-22(17)30-26)13-16(29-25)14-20-18-7-3-5-9-23(18)31-27(20)32/h2-14,31-32H,1H3/b16-14-"	COC1=C(C=CC(=C1)C2=N/C(=C\\C3=C(NC4=CC=CC=C43)O)/C=C5C2=NC6=CC=CC=C65)F	NXLNHUMALKTDMG-PEZBUJJGSA-N
DG69747	"3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole"	155811212	NSC764567; NSC-764567	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764567	.	.	.	.	418.5	C27H22N4O	66.6	652	5.9	32	2	3	3	"InChI=1S/C27H22N4O/c1-15-12-22-23(13-16(15)2)31-27(30-22)24-14-20-19-6-4-5-7-21(19)28-26(20)25(29-24)17-8-10-18(32-3)11-9-17/h4-14,28H,1-3H3,(H,30,31)"	CC1=CC2=C(C=C1C)N=C(N2)C3=NC(=C4C(=C3)C5=CC=CC=C5N4)C6=CC=C(C=C6)OC	GKNLBSJNVFWGCV-UHFFFAOYSA-N
DG69748	2-[1-(2-fluorophenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide	155811215	NSC758376; NSC-758376	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758376	.	.	.	.	423.4	C21H14FN3O4S	107	750	3	30	1	6	5	"InChI=1S/C21H14FN3O4S/c22-17-6-2-4-8-19(17)30(28,29)25-13-16(15-5-1-3-7-18(15)25)20(26)21(27)24-14-9-11-23-12-10-14/h1-13H,(H,23,24,27)"	C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=CC=C3F)C(=O)C(=O)NC4=CC=NC=C4	RIXXYEKIEFXNKR-UHFFFAOYSA-N
DG69749	"3-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyridin-4-yl]-1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indole"	155811216	NSC765797; NSC-765797	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765797	.	.	.	.	653.7	C40H35N3O6	97	1000	7.7	49	1	8	10	"InChI=1S/C40H35N3O6/c1-44-33-18-25(19-34(45-2)39(33)48-5)31-17-24(16-30(41-31)23-12-8-7-9-13-23)32-22-28-27-14-10-11-15-29(27)42-38(28)37(43-32)26-20-35(46-3)40(49-6)36(21-26)47-4/h7-22,42H,1-6H3"	COC1=CC(=CC(=C1OC)OC)C2=CC(=CC(=N2)C3=CC=CC=C3)C4=NC(=C5C(=C4)C6=CC=CC=C6N5)C7=CC(=C(C(=C7)OC)OC)OC	WSRLQAJNEDGIEU-UHFFFAOYSA-N
DG69750	"(3E)-6-chloro-3-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one"	155811218	NSC767074; NSC-767074	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767074	.	.	.	.	392.9	C20H13ClN4OS	87.5	625	4.5	27	1	4	2	"InChI=1S/C20H13ClN4OS/c1-11-24-25-17(18(23-20(25)27-11)12-5-3-2-4-6-12)10-15-14-8-7-13(21)9-16(14)22-19(15)26/h2-10H,1H3,(H,22,26)/b15-10+"	CC1=NN2C(=C(N=C2S1)C3=CC=CC=C3)/C=C/4\\C5=C(C=C(C=C5)Cl)NC4=O	FISYECGKXKDVAD-XNTDXEJSSA-N
DG69751	2-[1-(4-fluorophenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide	155811237	NSC755273; NSC-755273	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755273	.	.	.	.	423.4	C21H14FN3O4S	107	742	3	30	1	6	5	"InChI=1S/C21H14FN3O4S/c22-14-5-7-16(8-6-14)30(28,29)25-13-18(17-3-1-2-4-19(17)25)20(26)21(27)24-15-9-11-23-12-10-15/h1-13H,(H,23,24,27)"	C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=C(C=C3)F)C(=O)C(=O)NC4=CC=NC=C4	WULNLKUELQDNHW-UHFFFAOYSA-N
DG69752	"ethyl N-(5-ethoxy-1,3-benzothiazol-2-yl)carbamate"	155811246	NSC764934; NSC-764934	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764934	.	.	.	.	266.32	C12H14N2O3S	88.7	291	3	18	1	5	5	"InChI=1S/C12H14N2O3S/c1-3-16-8-5-6-10-9(7-8)13-11(18-10)14-12(15)17-4-2/h5-7H,3-4H2,1-2H3,(H,13,14,15)"	CCOC1=CC2=C(C=C1)SC(=N2)NC(=O)OCC	DQDISJUNLGDDAK-UHFFFAOYSA-N
DG69753	"1-(4-Methoxyphenyl)-2,5-dimethyl-3-phenylpyrrole"	155811340	NSC764902; NSC-764902	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764902	.	.	.	.	277.4	C19H19NO	14.2	318	4.7	21	0	1	3	"InChI=1S/C19H19NO/c1-14-13-19(16-7-5-4-6-8-16)15(2)20(14)17-9-11-18(21-3)12-10-17/h4-13H,1-3H3"	CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C3=CC=CC=C3	MBCPQNCYCXXTDW-UHFFFAOYSA-N
DG69754	"N-(3-imidazol-1-ylpropyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide"	155811351	NSC761560; NSC-761560	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761560	.	.	.	.	455.6	C30H37N3O	46.9	721	7.4	34	1	2	7	"InChI=1S/C30H37N3O/c1-21-18-26-27(30(5,6)13-12-29(26,3)4)19-25(21)22(2)23-8-10-24(11-9-23)28(34)32-14-7-16-33-17-15-31-20-33/h8-11,15,17-20H,2,7,12-14,16H2,1,3-6H3,(H,32,34)"	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)NCCCN4C=CN=C4)C(CCC2(C)C)(C)C	LPRUXCDLJAJASM-UHFFFAOYSA-N
DG69755	"6,8-Dibromo-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-e][1,3]benzothiazol-2-amine"	155811361	CHEMBL4759344; SCHEMBL23042071; NSC766942; NSC-766942	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766942	.	.	.	.	469.2	C17H15Br2N3OS	81.3	452	5	24	1	4	3	"InChI=1S/C17H15Br2N3OS/c1-23-10-4-2-9(3-5-10)8-22-15(18)11-6-7-12-14(13(11)16(22)19)21-17(20)24-12/h2-5H,6-8H2,1H3,(H2,20,21)"	COC1=CC=C(C=C1)CN2C(=C3CCC4=C(C3=C2Br)N=C(S4)N)Br	BRLSVDGLKOWQRS-UHFFFAOYSA-N
DG69756	"Ethyl 13-[(2-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-12-carboxylate"	155811364	CHEMBL4762893; NSC766927; NSC-766927	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766927	.	.	.	.	366.4	C21H22N2O4	66.5	516	3.8	27	0	5	6	"InChI=1S/C21H22N2O4/c1-3-26-21(24)17-11-14-8-6-9-15-12-22-27-20(15)19(14)23(17)13-16-7-4-5-10-18(16)25-2/h4-5,7,10-12H,3,6,8-9,13H2,1-2H3"	CCOC(=O)C1=CC2=C(N1CC3=CC=CC=C3OC)C4=C(CCC2)C=NO4	RCNUWMKOEMRRAZ-UHFFFAOYSA-N
DG69757	"Ethyl 13-[(3-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-12-carboxylate"	155811370	CHEMBL4788575; NSC766977; NSC-766977	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766977	.	.	.	.	366.4	C21H22N2O4	66.5	516	3.8	27	0	5	6	"InChI=1S/C21H22N2O4/c1-3-26-21(24)18-11-15-7-5-8-16-12-22-27-20(16)19(15)23(18)13-14-6-4-9-17(10-14)25-2/h4,6,9-12H,3,5,7-8,13H2,1-2H3"	CCOC(=O)C1=CC2=C(N1CC3=CC(=CC=C3)OC)C4=C(CCC2)C=NO4	BQNVMWNKOWFTHG-UHFFFAOYSA-N
DG69758	"N-(2-chlorophenyl)-3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide"	155811395	NSC763372; NSC-763372	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763372	.	.	.	.	518	C28H24ClN3O5	106	798	6	37	3	6	7	"InChI=1S/C28H24ClN3O5/c1-36-26-15-18(9-13-24(26)33)7-11-20-17-21(12-8-19-10-14-25(34)27(16-19)37-2)32(31-20)28(35)30-23-6-4-3-5-22(23)29/h3-17,33-34H,1-2H3,(H,30,35)/b11-7+,12-8+"	COC1=C(C=CC(=C1)/C=C/C2=CC(=NN2C(=O)NC3=CC=CC=C3Cl)/C=C/C4=CC(=C(C=C4)O)OC)O	AAADJKPSAGHJNF-MKICQXMISA-N
DG69759	"N-(4-fluorophenyl)-3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide"	155811396	NSC757925; NSC-757925	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757925	.	.	.	.	501.5	C28H24FN3O5	106	790	5.4	37	3	7	7	"InChI=1S/C28H24FN3O5/c1-36-26-15-18(5-13-24(26)33)3-9-22-17-23(12-4-19-6-14-25(34)27(16-19)37-2)32(31-22)28(35)30-21-10-7-20(29)8-11-21/h3-17,33-34H,1-2H3,(H,30,35)/b9-3+,12-4+"	COC1=C(C=CC(=C1)/C=C/C2=CC(=NN2C(=O)NC3=CC=C(C=C3)F)/C=C/C4=CC(=C(C=C4)O)OC)O	LTYSPUPNBNZELX-KGNILVOKSA-N
DG69760	"2-[(3-Pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]benzoic acid"	155811419	NSC766871; NSC-766871	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766871	.	.	.	.	332.32	C17H12N6O2	105	472	2.3	25	2	7	4	"InChI=1S/C17H12N6O2/c24-17(25)12-3-1-2-4-13(12)19-14-5-6-15-20-21-16(23(15)22-14)11-7-9-18-10-8-11/h1-10H,(H,19,22)(H,24,25)"	C1=CC=C(C(=C1)C(=O)O)NC2=NN3C(=NN=C3C4=CC=NC=C4)C=C2	UQMVANVETJQCDL-UHFFFAOYSA-N
DG69761	NSC768649	155811433	"6-[3-[4-(4-Aminobutylamino)butylamino]propyl]-13-[3-[(2-methoxyphenyl)methylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone; NSC768649; NSC-768649"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	768649	.	.	.	.	642.8	C36H46N6O5	146	1010	2.5	47	4	9	20	"InChI=1S/C36H46N6O5/c1-47-30-11-3-2-10-25(30)24-40-21-9-23-42-35(45)28-14-12-26-31-27(13-15-29(32(28)31)36(42)46)34(44)41(33(26)43)22-8-20-39-19-7-6-18-38-17-5-4-16-37/h2-3,10-15,38-40H,4-9,16-24,37H2,1H3"	COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCCCCNCCCCN)C2=O	YNECSBWOOYUOSA-UHFFFAOYSA-N
DG69762	"1-benzyl-2-methyl-N-(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)benzimidazol-5-amine"	155811451	NSC771660; NSC-771660	.	.	Investigative Drug(s)	Investigative	Small molecular drug	771660	.	.	.	.	484.6	C27H32N8O	84.2	681	4.7	36	1	8	6	"InChI=1S/C27H32N8O/c1-20-28-23-18-22(10-11-24(23)35(20)19-21-8-4-2-5-9-21)29-25-30-26(33-12-6-3-7-13-33)32-27(31-25)34-14-16-36-17-15-34/h2,4-5,8-11,18H,3,6-7,12-17,19H2,1H3,(H,29,30,31,32)"	CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC4=NC(=NC(=N4)N5CCOCC5)N6CCCCC6	IKCCPZGMPQBZGX-UHFFFAOYSA-N
DG69763	"11-[2-(6-Acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetyl]oxyundecyl-triphenylphosphanium"	155811514	NSC774816; NSC-774816	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774816	.	.	.	.	721.9	C46H58O5P+	61.8	1020	11.7	52	0	5	20	"InChI=1S/C46H58O5P/c1-35-36(2)45-42(37(3)44(35)50-38(4)47)30-31-46(5,51-45)34-43(48)49-32-22-11-9-7-6-8-10-12-23-33-52(39-24-16-13-17-25-39,40-26-18-14-19-27-40)41-28-20-15-21-29-41/h13-21,24-29H,6-12,22-23,30-34H2,1-5H3/q+1"	CC1=C(C(=C(C2=C1OC(CC2)(C)CC(=O)OCCCCCCCCCCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C)OC(=O)C)C	KSKVHWLBKCHCJK-UHFFFAOYSA-N
DG69764	NSC775507	155811526	"methyl (1R,9R,10S,11R,12R,13R,15S,20R)-11-acetyloxy-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-8-formyl-10-hydroxy-5-methoxy-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6-triene-10-carboxylate; NSC775507; NSC-775507"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775507	.	.	.	.	806.9	C46H54N4O9	151	1780	3.9	59	2	11	10	"InChI=1S/C46H54N4O9/c1-7-26-15-27-19-45(41(53)57-5,37-30(23-48(20-26)21-27)29-11-9-10-12-34(29)47-37)33-17-32-35(18-36(33)56-4)50(24-51)39-44(32)13-14-49-22-28-16-31(28)43(8-2,38(44)49)40(59-25(3)52)46(39,55)42(54)58-6/h9-12,15,17-18,24,27-28,31,38-40,47,55H,7-8,13-14,16,19-23H2,1-6H3/t27-,28+,31+,38-,39+,40+,43+,44+,45-,46-/m0/s1"	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@]([C@@H]1C[C@@H]1C9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	PFJQECMDAFLTOX-XRFSQDKESA-N
DG69765	"ethyl (2R)-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-(5H-pyrrolo[3,2-d]pyrimidin-4-yldisulfanyl)propanoate"	155811580	NSC778252; NSC-778252	.	.	Investigative Drug(s)	Investigative	Small molecular drug	778252	.	.	.	.	510.6	C25H26N4O4S2	157	717	4.3	35	2	8	11	"InChI=1S/C25H26N4O4S2/c1-4-33-25(31)21(13-34-35-24-22-20(9-10-26-22)27-14-28-24)29-23(30)15(2)16-5-6-18-12-19(32-3)8-7-17(18)11-16/h5-12,14-15,21,26H,4,13H2,1-3H3,(H,29,30)/t15-,21-/m0/s1"	CCOC(=O)[C@H](CSSC1=NC=NC2=C1NC=C2)NC(=O)[C@@H](C)C3=CC4=C(C=C3)C=C(C=C4)OC	HFSYQEATZVUUQI-BTYIYWSLSA-N
DG69766	"4-chloro-3-cyano-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide"	155811593	NSC778871; NSC-778871	.	.	Investigative Drug(s)	Investigative	Small molecular drug	778871	.	.	.	.	403.8	C22H14ClN3O3	88.2	638	4.6	29	1	5	4	"InChI=1S/C22H14ClN3O3/c1-28-17-4-2-3-14(10-17)22-26-19-11-16(6-8-20(19)29-22)25-21(27)13-5-7-18(23)15(9-13)12-24/h2-11H,1H3,(H,25,27)"	COC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)Cl)C#N	UKITXDLNCSNFGI-UHFFFAOYSA-N
DG69767	"N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2,6-dichloroanilino)acetamide"	155811604	CHEMBL4788586; BDBM50563792; NSC780168; NSC-780168	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780168	.	.	.	.	428.3	C21H15Cl2N3OS	82.3	522	6.4	28	2	4	5	"InChI=1S/C21H15Cl2N3OS/c22-15-4-3-5-16(23)20(15)24-12-19(27)25-14-10-8-13(9-11-14)21-26-17-6-1-2-7-18(17)28-21/h1-11,24H,12H2,(H,25,27)"	C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CNC4=C(C=CC=C4Cl)Cl	YJTFOJXCVUKZQM-UHFFFAOYSA-N
DG69768	"8-chloro-N,N,6,11-tetramethyl-5,6-dihydropyrimido[4,5-b][1]benzazepin-4-amine"	155811656	NSC786138; NSC-786138	.	.	Investigative Drug(s)	Investigative	Small molecular drug	786138	.	.	.	.	302.8	C16H19ClN4	32.299	364	3.9	21	0	4	1	"InChI=1S/C16H19ClN4/c1-10-7-13-15(20(2)3)18-9-19-16(13)21(4)14-6-5-11(17)8-12(10)14/h5-6,8-10H,7H2,1-4H3"	CC1CC2=C(N=CN=C2N(C)C)N(C3=C1C=C(C=C3)Cl)C	DCWKPCFYNQTOPQ-UHFFFAOYSA-N
DG69769	"(3R)-3-hydroxy-4-(4-methylsulfanylphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one"	155811678	NSC788816; NSC-788816	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788816	.	.	.	.	375.4	C19H21NO5S	93.5	471	2.4	26	1	6	6	"InChI=1S/C19H21NO5S/c1-23-14-9-12(10-15(24-2)18(14)25-3)20-16(17(21)19(20)22)11-5-7-13(26-4)8-6-11/h5-10,16-17,21H,1-4H3/t16 ,17-/m1/s1"	COC1=CC(=CC(=C1OC)OC)N2C([C@H](C2=O)O)C3=CC=C(C=C3)SC	IDOZAZATJGCQJE-ZYMOGRSISA-N
DG69770	NSC791000	155811679	"[(1S,3R,5R,8R,10S,24R,25R)-5-acetyloxy-4,26-dihydroxy-6-methyl-17,20-dioxo-10-pentyl-24-[(E)-3-phenylprop-2-enoyl]oxy-2,7,9,21,27-pentaoxatricyclo[21.3.1.03,8]heptacosan-25-yl] (E)-2-methylbut-2-enoate; NSC791000; NSC-791000"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791000	.	.	.	.	831	C44H62O15	200	1420	5.8	59	2	15	13	"InChI=1S/C44H62O15/c1-6-8-12-20-32-21-16-10-9-15-19-31(46)23-25-34(47)52-26-33-39(57-35(48)24-22-30-17-13-11-14-18-30)40(58-42(51)27(3)7-2)37(50)43(56-33)59-41-36(49)38(54-29(5)45)28(4)53-44(41)55-32/h7,11,13-14,17-18,22,24,28,32-33,36-41,43-44,49-50H,6,8-10,12,15-16,19-21,23,25-26H2,1-5H3/b24-22+,27-7+/t28 ,32-,33 ,36 ,37 ,38-,39+,40+,41+,43-,44-/m0/s1"	CCCCC[C@H]1CCCCCCC(=O)CCC(=O)OCC2[C@H]([C@@H](C([C@@H](O2)O[C@H]3[C@H](O1)OC([C@@H](C3O)OC(=O)C)C)O)OC(=O)/C(=C/C)/C)OC(=O)/C=C/C4=CC=CC=C4	MNCQJKBLIYSVOV-AXYDXROSSA-N
DG69771	"[6-Amino-3-(4-methoxyphenyl)indazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone"	155811680	NSC782249; NSC-782249	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782249	.	.	.	.	433.5	C24H23N3O5	97.8	615	4	32	1	7	6	"InChI=1S/C24H23N3O5/c1-29-17-8-5-14(6-9-17)22-18-10-7-16(25)13-19(18)27(26-22)24(28)15-11-20(30-2)23(32-4)21(12-15)31-3/h5-13H,25H2,1-4H3"	COC1=CC=C(C=C1)C2=NN(C3=C2C=CC(=C3)N)C(=O)C4=CC(=C(C(=C4)OC)OC)OC	KAPPXMIWEKMFCD-UHFFFAOYSA-N
DG69772	NSC787535	155811732	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[2-(4-bromophenyl)ethyl]carbamate; NSC787535; NSC-787535"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787535	.	.	.	.	490.4	C24H28BrNO5	77.2	744	4.1	31	1	5	6	"InChI=1S/C24H28BrNO5/c1-15-19-10-7-17(4-3-12-24(2)21(31-24)20(19)30-22(15)27)14-29-23(28)26-13-11-16-5-8-18(25)9-6-16/h4-6,8-9,19-21H,1,3,7,10-14H2,2H3,(H,26,28)/b17-4+/t19-,20-,21-,24+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCCC4=CC=C(C=C4)Br	POTXPVWHHORELA-NPQYOQTKSA-N
DG69773	"(1S,7aR)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione"	155811869	NSC780901; NSC-780901	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780901	.	.	.	.	323.3	C19H17NO4	55.8	653	1.4	24	0	4	2	"InChI=1S/C19H17NO4/c1-12-16(23-2)15-17(13-6-4-3-5-7-13)24-19(20(15)18(12)22)10-8-14(21)9-11-19/h3-11,15,17H,1-2H3/t15-,17-/m0/s1"	CC1=C([C@H]2[C@@H](OC3(N2C1=O)C=CC(=O)C=C3)C4=CC=CC=C4)OC	BYMYFBAETFNIPY-RDJZCZTQSA-N
DG69774	(Z)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-3-(4-nitrophenyl)prop-2-en-1-one	155811884	NSC791682; NSC-791682	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791682	.	.	.	.	407.5	C23H18FNO3S	88.2	581	6.2	29	0	5	6	"InChI=1S/C23H18FNO3S/c1-16-2-4-18(5-3-16)15-29-22(23(26)19-8-10-20(24)11-9-19)14-17-6-12-21(13-7-17)25(27)28/h2-14H,15H2,1H3/b22-14-"	CC1=CC=C(C=C1)CS/C(=C\\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)C3=CC=C(C=C3)F	KRNVGLUECKWEEE-HMAPJEAMSA-N
DG69775	NSC783297	155811892	"(2S,3S)-3-[(3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2S,4R,5R)-4-[(2S,4R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-2-[(2S,4R,5R)-5-hydroxy-4-[(2S,4R,5S)-5-hydroxy-4-[(2S,5S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-7-methyl-3,4-dihydro-2H-anthracen-1-one; NSC783297; NSC-783297"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783297	.	.	.	.	1085.1	C52H76O24	347	1900	1	76	10	24	16	"InChI=1S/C52H76O24/c1-18-29(72-36-15-31(45(59)22(5)69-36)73-34-13-28(54)43(57)20(3)67-34)12-26-10-25-11-27(51(66-9)50(64)42(56)19(2)53)52(49(63)40(25)48(62)39(26)41(18)55)76-38-17-33(47(61)24(7)71-38)75-37-16-32(46(60)23(6)70-37)74-35-14-30(65-8)44(58)21(4)68-35/h10,12,19-24,27-28,30-38,42-47,51-62H,11,13-17H2,1-9H3/t19-,20 ,21 ,22 ,23 ,24 ,27+,28-,30 ,31-,32-,33-,34+,35+,36+,37+,38+,42+,43-,44+,45-,46+,47-,51 ,52+/m1/s1"	CC1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2C[C@@H](OC([C@H]2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)C(C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]6C[C@H]([C@@H](C(O6)C)O)O[C@H]7C[C@H]([C@H](C(O7)C)O)O[C@H]8CC([C@H](C(O8)C)O)OC)C(=C4C(=C3C)O)O)O)O	OZJCVQRWLDUFPA-YVFWWETGSA-N
DG69776	"(3R,4R)-4-(4-ethoxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one"	155811906	NSC791052; NSC-791052	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791052	.	.	.	.	449.5	C26H27NO6	66.5	604	4.6	33	0	6	9	"InChI=1S/C26H27NO6/c1-5-32-19-13-11-17(12-14-19)23-25(33-20-9-7-6-8-10-20)26(28)27(23)18-15-21(29-2)24(31-4)22(16-18)30-3/h6-16,23,25H,5H2,1-4H3/t23-,25-/m1/s1"	CCOC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)OC4=CC=CC=C4	BNIOJJYXZKOCHE-ILBGXUMGSA-N
DG69777	2-[(4-methylbenzoyl)amino]-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide	155811911	NSC797755; NSC-797755	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797755	.	.	.	.	434.5	C27H22N4O2	83.4	680	5.7	33	2	4	6	"InChI=1S/C27H22N4O2/c1-19-14-16-21(17-15-19)26(32)29-23-12-6-5-11-22(23)27(33)31-30-25(20-9-3-2-4-10-20)24-13-7-8-18-28-24/h2-18H,1H3,(H,29,32)(H,31,33)/b30-25+"	CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N/N=C(\\C3=CC=CC=C3)/C4=CC=CC=N4	AWXONZHVLFYIMW-QCWLDUFUSA-N
DG69778	"5-[Imidazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]-2-methoxyphenol"	155811914	NSC788806; NSC-788806	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788806	.	.	.	.	370.4	C20H22N2O5	75	440	2.8	27	1	6	7	"InChI=1S/C20H22N2O5/c1-24-16-6-5-13(9-15(16)23)19(22-8-7-21-12-22)14-10-17(25-2)20(27-4)18(11-14)26-3/h5-12,19,23H,1-4H3"	COC1=C(C=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3C=CN=C3)O	ICUDMRHVAJJLPT-UHFFFAOYSA-N
DG69779	NSC791860	155811915	"2-[2-[2-[(1R,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bR)-5a,5b,8,8,9,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]oxyethoxy]ethoxy]ethyl-triphenylphosphanium; NSC791860; NSC-791860"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791860	.	.	.	.	832.2	C55H76O4P+	44.8	1430	14.4	60	0	4	15	"InChI=1S/C55H76O4P/c1-40(2)45-27-31-55(33-32-53(7)46(49(45)55)24-25-48-52(6)29-26-41(3)51(4,5)47(52)28-30-54(48,53)8)50(56)59-37-36-57-34-35-58-38-39-60(42-18-12-9-13-19-42,43-20-14-10-15-21-43)44-22-16-11-17-23-44/h9-23,41,45-49H,1,24-39H2,2-8H3/q+1/t41-,45-,46+,47-,48+,49+,52-,53+,54+,55-/m0/s1"	C[C@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)C(=O)OCCOCCOCC[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=C)C)C	RCJMYYQPLGNZIA-NPUKJUDISA-N
DG69780	"4-(3-Iodo-4-methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one"	155811936	NSC792957; NSC-792957	.	.	Investigative Drug(s)	Investigative	Small molecular drug	792957	.	.	.	.	545.4	C25H24INO5	57.2	616	4.7	32	0	5	7	"InChI=1S/C25H24INO5/c1-29-19-11-10-16(12-18(19)26)23-22(15-8-6-5-7-9-15)25(28)27(23)17-13-20(30-2)24(32-4)21(14-17)31-3/h5-14,22-23H,1-4H3"	COC1=C(C=C(C=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4)I	GQLZEGISXUQXLP-UHFFFAOYSA-N
DG69781	"4-(1,3-Benzothiazol-2-yl)-2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol"	155811983	NSC788649; NSC-788649	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788649	.	.	.	.	438.5	C26H22N4OS	90.4	560	4.4	32	1	6	7	"InChI=1S/C26H22N4OS/c31-24-12-11-19(26-29-23-9-1-2-10-25(23)32-26)15-20(24)16-30(17-21-7-3-5-13-27-21)18-22-8-4-6-14-28-22/h1-15,31H,16-18H2"	C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)O)CN(CC4=CC=CC=N4)CC5=CC=CC=N5	NWHNNYSLAYXMJE-UHFFFAOYSA-N
DG69782	"11-(3,4,5-Trimethoxyphenyl)pyrido[3,2-c][1,7]phenanthrolin-6-amine"	155811996	NSC784602; NSC-784602	.	.	Investigative Drug(s)	Investigative	Small molecular drug	784602	.	.	.	.	412.4	C24H20N4O3	92.4	595	3.9	31	1	7	4	"InChI=1S/C24H20N4O3/c1-29-18-10-13(11-19(30-2)23(18)31-3)16-12-17-14(6-4-8-26-17)22-20(16)21-15(24(25)28-22)7-5-9-27-21/h4-12H,1-3H3,(H2,25,28)"	COC1=CC(=CC(=C1OC)OC)C2=CC3=C(C=CC=N3)C4=C2C5=C(C=CC=N5)C(=N4)N	GJXWBOPRQMRZPG-UHFFFAOYSA-N
DG69783	NSC795440	155811998	"N-[5-[[4,5-dideuterio-6-[1-(trideuteriomethyl)indol-3-yl]-1H-pyrimidin-2-ylidene]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide; NSC795440; NSC-795440"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795440	.	.	.	.	504.6	C28H33N7O2	86.5	901	2.7	37	2	5	9	"InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)/i5D3,12D,13D"	[2H]C1=C(NC(=NC2=C(C=C(C(=C2)NC(=O)C=C)N(C)CCN(C)C)OC)N=C1[2H])C3=CN(C4=CC=CC=C43)C([2H])([2H])[2H]	DUYJMQONPNNFPI-YQNNQXDBSA-N
DG69784	"6-Methoxy-4-[10,15,20-tris(6-methoxy-2-oxochromen-4-yl)-5,10,15,20,21,22,23,24-octahydroporphyrin-5-yl]chromen-2-one"	155812000	NSC788351; NSC-788351	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788351	.	.	.	.	1013	C60H44N4O12	205	2010	7	76	4	12	8	"InChI=1S/C60H44N4O12/c1-69-29-5-17-49-33(21-29)37(25-53(65)73-49)57-41-9-11-43(61-41)58(38-26-54(66)74-50-18-6-30(70-2)22-34(38)50)45-13-15-47(63-45)60(40-28-56(68)76-52-20-8-32(72-4)24-36(40)52)48-16-14-46(64-48)59(44-12-10-42(57)62-44)39-27-55(67)75-51-19-7-31(71-3)23-35(39)51/h5-28,57-64H,1-4H3"	COC1=CC2=C(C=C1)OC(=O)C=C2C3C4=CC=C(N4)C(C5=CC=C(N5)C(C6=CC=C(N6)C(C7=CC=C3N7)C8=CC(=O)OC9=C8C=C(C=C9)OC)C1=CC(=O)OC2=C1C=C(C=C2)OC)C1=CC(=O)OC2=C1C=C(C=C2)OC	DUQOZEXAVNLCDM-UHFFFAOYSA-N
DG69785	"[5-Amino-3-(4-methylpiperazin-1-yl)indazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone"	155812002	NSC782250; NSC-782250	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782250	.	.	.	.	425.5	C22H27N5O4	95.1	603	2.6	31	1	8	5	"InChI=1S/C22H27N5O4/c1-25-7-9-26(10-8-25)21-16-13-15(23)5-6-17(16)27(24-21)22(28)14-11-18(29-2)20(31-4)19(12-14)30-3/h5-6,11-13H,7-10,23H2,1-4H3"	CN1CCN(CC1)C2=NN(C3=C2C=C(C=C3)N)C(=O)C4=CC(=C(C(=C4)OC)OC)OC	GETQIEJSYMKBAW-UHFFFAOYSA-N
DG69786	NSC788054	155812016	"(8R,9S,13S,14S,17S)-17-[2-(dimethylamino)ethoxy]-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol; NSC788054; NSC-788054"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788054	.	.	.	.	373.5	C23H35NO3	41.9	512	4.6	27	1	4	5	"InChI=1S/C23H35NO3/c1-23-10-9-16-17(19(23)7-8-22(23)27-12-11-24(2)3)6-5-15-13-20(25)21(26-4)14-18(15)16/h13-14,16-17,19,22,25H,5-12H2,1-4H3/t16-,17+,19-,22-,23-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OCCN(C)C)CCC4=CC(=C(C=C34)OC)O	UVNARGXNUDJMJN-JIAAILLZSA-N
DG69787	NSC797879	155812023	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[(5-bromo-1H-indol-3-yl)methyl]carbamate; NSC797879; NSC-797879"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797879	.	.	.	.	515.4	C25H27BrN2O5	93	847	3.8	33	2	5	5	"InChI=1S/C25H27BrN2O5/c1-14-18-7-5-15(4-3-9-25(2)22(33-25)21(18)32-23(14)29)13-31-24(30)28-12-16-11-27-20-8-6-17(26)10-19(16)20/h4,6,8,10-11,18,21-22,27H,1,3,5,7,9,12-13H2,2H3,(H,28,30)/b15-4+/t18-,21-,22-,25+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCC4=CNC5=C4C=C(C=C5)Br	NQZJGUARZSIMKN-LPCPJUPKSA-N
DG69788	"[4-(3,5-Dichlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone"	155812029	NSC794223; NSC-794223	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794223	.	.	.	.	379.3	C19H20Cl2N2O2	32.8	433	3.7	25	0	3	4	"InChI=1S/C19H20Cl2N2O2/c1-2-25-18-6-4-3-5-17(18)19(24)23-9-7-22(8-10-23)16-12-14(20)11-15(21)13-16/h3-6,11-13H,2,7-10H2,1H3"	CCOC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=CC(=C3)Cl)Cl	NSLOWXIBFUYJLC-UHFFFAOYSA-N
DG69789	"11-(3,4-Dichlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine"	155812036	NSC781933; NSC-781933	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781933	.	.	.	.	393.3	C21H14Cl2N4	64.7	534	4.3	27	1	4	1	"InChI=1S/C21H14Cl2N4/c22-17-2-1-11(8-18(17)23)15-7-12-9-25-5-3-13(12)20-19(15)16-10-26-6-4-14(16)21(24)27-20/h1-6,8-10,15H,7H2,(H2,24,27)"	C1C(C2=C(C3=C1C=NC=C3)N=C(C4=C2C=NC=C4)N)C5=CC(=C(C=C5)Cl)Cl	YURWFEUKIWRRBK-UHFFFAOYSA-N
DG69790	"2-Methoxy-5-[1,2,4-triazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]phenol"	155812073	NSC788805; NSC-788805	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788805	.	.	.	.	371.4	C19H21N3O5	87.9	443	2.8	27	1	7	7	"InChI=1S/C19H21N3O5/c1-24-15-6-5-12(7-14(15)23)18(22-11-20-10-21-22)13-8-16(25-2)19(27-4)17(9-13)26-3/h5-11,18,23H,1-4H3"	COC1=C(C=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3C=NC=N3)O	JAVAHBFKPLQFKG-UHFFFAOYSA-N
DG69791	"2-Hydroxy-3-(4-methylsulfanylphenyl)cyclohepta-2,4,6-trien-1-one"	155812109	NSC794224; NSC-794224	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794224	.	.	.	.	244.31	C14H12O2S	62.6	385	3.1	17	1	3	2	"InChI=1S/C14H12O2S/c1-17-11-8-6-10(7-9-11)12-4-2-3-5-13(15)14(12)16/h2-9H,1H3,(H,15,16)"	CSC1=CC=C(C=C1)C2=C(C(=O)C=CC=C2)O	UMSXBYISMXZWMB-UHFFFAOYSA-N
DG69792	NSC783300	155812111	"(2S,3S)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2R,4R,5S)-4-[(2S,4R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,6-dihydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-2-[(2S,4R,5R)-5-hydroxy-4-[(2S,4R,5S)-5-hydroxy-4-[(2S,4R,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,4-dihydro-2H-anthracen-1-one; NSC783300; NSC-783300"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783300	.	.	.	.	1087.1	C51H74O25	367	1920	-0.2	76	11	25	16	"InChI=1S/C51H74O25/c1-18(52)40(55)47(62)48(66-8)26-11-24-9-23-10-25(71-37-17-32(50(63)51(6,64)76-37)74-33-13-28(54)41(56)19(2)67-33)12-27(53)38(23)45(60)39(24)46(61)49(26)75-36-16-31(44(59)22(5)70-36)73-35-15-30(43(58)21(4)69-35)72-34-14-29(65-7)42(57)20(3)68-34/h9-10,12,18-22,26,28-37,40-44,48-50,52-60,63-64H,11,13-17H2,1-8H3/t18-,19 ,20 ,21 ,22 ,26+,28-,29-,30-,31-,32-,33+,34+,35+,36+,37-,40+,41-,42-,43+,44-,48+,49+,50+,51 /m1/s1"	CC1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2C[C@@H](OC([C@H]2O)(C)O)OC3=CC(=C4C(=C3)C=C5C[C@H]([C@@H](C(=O)C5=C4O)O[C@H]6C[C@H]([C@@H](C(O6)C)O)O[C@H]7C[C@H]([C@H](C(O7)C)O)O[C@H]8C[C@H]([C@@H](C(O8)C)O)OC)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O)O)O	AFBLEIALHXCARD-XBMXWKDQSA-N
DG69793	"(3Z)-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one"	155812132	NSC795068; NSC-795068	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795068	.	.	.	.	319.4	C18H13N3OS	82.6	487	3.9	23	1	4	2	"InChI=1S/C18H13N3OS/c1-11-6-8-12(9-7-11)15-10-23-18(20-15)21-16-13-4-2-3-5-14(13)19-17(16)22/h2-10H,1H3,(H,19,20,21,22)"	CC1=CC=C(C=C1)C2=CSC(=N2)/N=C\\3/C4=CC=CC=C4NC3=O	UNICHHVGPQHJKL-UHFFFAOYSA-N
DG69794	NSC791142	155812136	"(1S,2S,4R,7E,11S)-8-[(E)-(3-amino-5-bromopyridin-2-yl)iminomethyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one; NSC791142; NSC-791142"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791142	.	.	.	.	432.3	C20H22BrN3O3	90.1	694	2.7	27	1	6	2	"InChI=1S/C20H22BrN3O3/c1-11-14-6-5-12(9-23-18-15(22)8-13(21)10-24-18)4-3-7-20(2)17(27-20)16(14)26-19(11)25/h4,8-10,14,16-17H,1,3,5-7,22H2,2H3/b12-4+,23-9+/t14-,16-,17-,20+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/C=N/C4=C(C=C(C=N4)Br)N	UHYJERHJFJQKFT-SODJJYDYSA-N
DG69795	NSC794946	155812139	"(4S,4aS,5aR,12aR)-4-amino-8-[(2S)-1-ethylpyrrolidin-2-yl]-1,10,11,12a-tetrahydroxy-7-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide; NSC794946; NSC-794946; 1575498-58-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794946	.	.	.	.	513.5	C26H31N3O8	197	1090	0.9	37	6	10	4	"InChI=1S/C26H31N3O8/c1-3-29-6-4-5-14(29)11-9-15(30)17-12(22(11)37-2)7-10-8-13-19(27)21(32)18(25(28)35)24(34)26(13,36)23(33)16(10)20(17)31/h9-10,13-14,19,30-31,34,36H,3-8,27H2,1-2H3,(H2,28,35)/t10-,13-,14-,19-,26-/m0/s1"	CCN1CCC[C@H]1C2=CC(=C3C(=C2OC)C[C@H]4C[C@H]5[C@@H](C(=O)C(=C([C@]5(C(=O)C4=C3O)O)O)C(=O)N)N)O	OLTNQCKDPZMTLV-OSGLLZLXSA-N
DG69796	"4-[4-[5-Methoxy-3-[4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]butyl]morpholine"	155812167	NSC789194; NSC-789194	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789194	.	.	.	.	501.6	C28H31N5O2S	85.6	711	4	36	0	6	8	"InChI=1S/C28H31N5O2S/c1-31-17-23(21-6-5-9-29-27(21)31)25-19-36-28(30-25)24-18-33(26-8-7-20(34-2)16-22(24)26)11-4-3-10-32-12-14-35-15-13-32/h5-9,16-19H,3-4,10-15H2,1-2H3"	CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CN(C5=C4C=C(C=C5)OC)CCCCN6CCOCC6	BYULZJSQEJWSBP-UHFFFAOYSA-N
DG69797	"2-methoxy-5-[(E)-3-(1,2,4-triazol-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenol"	155812177	NSC788807; NSC-788807	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788807	.	.	.	.	397.4	C21H23N3O5	87.9	509	3.5	29	1	7	8	"InChI=1S/C21H23N3O5/c1-26-18-8-6-14(9-17(18)25)5-7-16(24-13-22-12-23-24)15-10-19(27-2)21(29-4)20(11-15)28-3/h5-13,16,25H,1-4H3/b7-5+"	COC1=C(C=C(C=C1)/C=C/C(C2=CC(=C(C(=C2)OC)OC)OC)N3C=NC=N3)O	IJDFUVKTKNKRPT-FNORWQNLSA-N
DG69798	NSC780458	155812178	"methyl (2S)-2-[[(2S)-2-[(2R,3S)-3-[4-[4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5,10-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1H-anthracen-2-yl]-2-methoxyacetyl]amino]-3-(1H-indol-3-yl)propanoate; NSC780458; NSC-780458"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780458	.	.	.	.	1227.3	C61H82N2O24	372	2310	3.1	87	11	24	18	"InChI=1S/C61H82N2O24/c1-24-38(83-43-19-39(51(67)26(3)79-43)84-42-18-37(64)50(66)25(2)78-42)17-31-14-30-15-34(57(76-8)59(73)63-36(60(74)77-9)16-32-23-62-35-13-11-10-12-33(32)35)56(55(71)48(30)54(70)47(31)49(24)65)87-45-21-40(52(68)28(5)81-45)85-44-20-41(53(69)27(4)80-44)86-46-22-61(7,75)58(72)29(6)82-46/h10-14,17,23,25-29,34,36-37,39-46,50-53,56-58,62,64-70,72,75H,15-16,18-22H2,1-9H3,(H,63,73)/t25 ,26 ,27 ,28 ,29 ,34-,36+,37 ,39 ,40 ,41 ,42 ,43 ,44 ,45 ,46 ,50 ,51 ,52 ,53 ,56+,57+,58 ,61 /m1/s1"	CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)OC)OC)OC8CC(C(C(O8)C)O)OC9CC(C(C(O9)C)O)OC1CC(C(C(O1)C)O)(C)O)C(=C4C(=C3C)O)O)O)O	HDFPUIGVWMMVMM-KRZOGROPSA-N
DG69799	NSC795846	155812179	"(1R,3aS,5aR,5bR,7aR,10S,11aR,11bR,13aR,13bR)-10-[3-(4-bromophenyl)prop-2-ynyl]-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid; NSC795846; NSC-795846"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795846	.	.	.	.	647.7	C39H51BrO3	54.4	1250	11	43	1	3	4	"InChI=1S/C39H51BrO3/c1-24(2)28-17-20-39(34(42)43)22-21-37(6)29(32(28)39)15-16-31-36(5)23-26(10-8-9-25-11-13-27(40)14-12-25)33(41)35(3,4)30(36)18-19-38(31,37)7/h11-14,26,28-32H,1,10,15-23H2,2-7H3,(H,42,43)/t26-,28+,29-,30+,31-,32-,36+,37-,38-,39+/m1/s1"	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(C[C@H](C(=O)C5(C)C)CC#CC6=CC=C(C=C6)Br)C)C)C(=O)O	LAMQXOGGOMWUQY-DEYUOFMXSA-N
DG69800	"3,24-Dimethyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,16,18,20,22-nonaene-13,15-dione"	155812229	NSC781339; NSC-781339	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781339	.	.	.	.	368.4	C22H16N4O2	68.1	698	3.3	28	2	2	0	"InChI=1S/C22H16N4O2/c1-25-13-9-5-3-7-11(13)15-17-18(23-22(28)24-21(17)27)16-12-8-4-6-10-14(12)26(2)20(16)19(15)25/h3-10H,1-2H3,(H2,23,24,27,28)"	CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C)NC(=O)NC4=O	HIVBKFUFSGTDOB-UHFFFAOYSA-N
DG69801	"5-[3-(2-Chloro-4-pyridin-4-ylphenyl)but-1-ynyl]-6-ethylpyrimidine-2,4-diamine"	155812243	NSC794222; NSC-794222	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794222	.	.	.	.	377.9	C21H20ClN5	90.7	537	4.2	27	2	5	4	"InChI=1S/C21H20ClN5/c1-3-19-17(20(23)27-21(24)26-19)6-4-13(2)16-7-5-15(12-18(16)22)14-8-10-25-11-9-14/h5,7-13H,3H2,1-2H3,(H4,23,24,26,27)"	CCC1=C(C(=NC(=N1)N)N)C#CC(C)C2=C(C=C(C=C2)C3=CC=NC=C3)Cl	UIPIXYKGGAAOQX-UHFFFAOYSA-N
DG69802	"7-[6-[5-[(2,4-Difluorophenyl)sulfonylamino]-6-methoxypyridin-3-yl]quinolin-4-yl]hept-6-ynoic acid"	155812288	NSC783230; NSC-783230	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783230	.	.	.	.	551.6	C28H23F2N3O5S	127	996	4.8	39	2	10	10	"InChI=1S/C28H23F2N3O5S/c1-38-28-25(33-39(36,37)26-11-9-21(29)16-23(26)30)15-20(17-32-28)19-8-10-24-22(14-19)18(12-13-31-24)6-4-2-3-5-7-27(34)35/h8-17,33H,2-3,5,7H2,1H3,(H,34,35)"	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C#CCCCCC(=O)O)NS(=O)(=O)C4=C(C=C(C=C4)F)F	HBUGRNRXSFNZNC-UHFFFAOYSA-N
DG69803	"Ethyl 7-[(4-methoxyphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole-3-carboxylate"	155812326	NSC793969; NSC-793969	.	.	Investigative Drug(s)	Investigative	Small molecular drug	793969	.	.	.	.	518.6	C29H30N2O7	94.2	764	4.8	38	0	8	10	"InChI=1S/C29H30N2O7/c1-6-37-29(32)25-21-12-11-20-22(27(21)38-30-25)16-31(15-17-7-9-19(33-2)10-8-17)26(20)18-13-23(34-3)28(36-5)24(14-18)35-4/h7-10,13-14,16H,6,11-12,15H2,1-5H3"	CCOC(=O)C1=NOC2=C1CCC3=C(N(C=C32)CC4=CC=C(C=C4)OC)C5=CC(=C(C(=C5)OC)OC)OC	BIEYSIBLKWNZBK-UHFFFAOYSA-N
DG69804	NSC800552	155812374	"(1R,3aS,5aR,5bR,7aR,9S,10S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-10-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid; NSC800552; NSC-800552"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800552	.	.	.	.	638.8	C40H53F3O3	57.5	1300	11.3	46	2	6	4	"InChI=1S/C40H53F3O3/c1-24(2)28-17-20-39(34(45)46)22-21-37(6)29(32(28)39)15-16-31-36(5)23-26(33(44)35(3,4)30(36)18-19-38(31,37)7)10-8-9-25-11-13-27(14-12-25)40(41,42)43/h11-14,26,28-33,44H,1,10,15-23H2,2-7H3,(H,45,46)/t26-,28+,29-,30+,31-,32-,33+,36+,37-,38-,39+/m1/s1"	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)CC#CC6=CC=C(C=C6)C(F)(F)F)C)C)C(=O)O	UNRIMKBYKUWMMY-NAULHLSUSA-N
DG69805	NSC800508	155812377	"N-[[1-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]triazol-4-yl]methyl]-1H-indole-2-carboxamide; NSC800508; NSC-800508"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800508	.	.	.	.	487.5	C27H29N5O4	114	939	2.6	36	2	6	5	"InChI=1S/C27H29N5O4/c1-16-20-10-9-17(6-5-11-27(2)24(36-27)23(20)35-26(16)34)14-32-15-19(30-31-32)13-28-25(33)22-12-18-7-3-4-8-21(18)29-22/h3-4,6-8,12,15,20,23-24,29H,1,5,9-11,13-14H2,2H3,(H,28,33)/b17-6+/t20-,23-,24-,27+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CN4C=C(N=N4)CNC(=O)C5=CC6=CC=CC=C6N5	DOWKNGNQCMTJEP-PLXOQMDXSA-N
DG69806	NSC800509	155812380	"(1S,2S,4R,7E,11S)-8-[[4-(1H-indol-3-ylmethyl)triazol-1-yl]methyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one; NSC800509; NSC-800509"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800509	.	.	.	.	444.5	C26H28N4O3	85.3	830	3.4	33	1	5	4	"InChI=1S/C26H28N4O3/c1-16-20-10-9-17(6-5-11-26(2)24(33-26)23(20)32-25(16)31)14-30-15-19(28-29-30)12-18-13-27-22-8-4-3-7-21(18)22/h3-4,6-8,13,15,20,23-24,27H,1,5,9-12,14H2,2H3/b17-6+/t20-,23-,24-,26+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CN4C=C(N=N4)CC5=CNC6=CC=CC=C65	JUDKRQKDFYDSTP-UEKBPLPMSA-N
DG69807	NSC801079	155812443	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamate; NSC801079; NSC-801079"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801079	.	.	.	.	833.8	C43H47NO16	257	1790	3.5	60	6	16	9	"InChI=1S/C43H47NO16/c1-18-21-11-10-20(7-6-12-42(3)39(60-42)38(21)59-40(18)52)17-56-41(53)44-24-13-28(57-19(2)33(24)47)58-26-15-43(54,27(46)16-45)14-23-30(26)37(51)32-31(35(23)49)34(48)22-8-5-9-25(55-4)29(22)36(32)50/h5,7-9,19,21,24,26,28,33,38-39,45,47,49,51,54H,1,6,10-17H2,2-4H3,(H,44,53)/b20-7+/t19-,21-,24-,26-,28-,33+,38-,39-,42+,43-/m0/s1"	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)OC/C/6=C/CC[C@@]7([C@@H](O7)[C@@H]8[C@@H](CC6)C(=C)C(=O)O8)C)O	SDFSXUIPEQRXKS-JPSXRNAPSA-N
DG69808	"2-(1-methylindol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole"	155812479	NSC801586; NSC-801586	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801586	.	.	.	.	330.4	C19H14N4S	74.7	461	3.4	24	1	3	2	"InChI=1S/C19H14N4S/c1-23-10-15(12-4-2-3-5-18(12)23)19-22-17(11-24-19)14-9-21-16-6-7-20-8-13(14)16/h2-11,21H,1H3"	CN1C=C(C2=CC=CC=C21)C3=NC(=CS3)C4=CNC5=C4C=NC=C5	JHXBMBMLLCTHTB-UHFFFAOYSA-N
DG69809	"2-(5-Fluoro-1-methylindol-3-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole"	155812485	NSC801609; NSC-801609	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801609	.	.	.	.	354.4	C17H11FN4S2	91.6	484	4.1	24	0	5	2	"InChI=1S/C17H11FN4S2/c1-21-8-12(11-7-10(18)4-5-14(11)21)16-20-22-9-13(19-17(22)24-16)15-3-2-6-23-15/h2-9H,1H3"	CN1C=C(C2=C1C=CC(=C2)F)C3=NN4C=C(N=C4S3)C5=CC=CS5	FDTORYITBNUOFW-UHFFFAOYSA-N
DG69810	"3,4-Bis(1-methylindol-3-yl)-1,2,5-oxadiazole"	155812489	NSC801519; NSC-801519	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801519	.	.	.	.	328.4	C20H16N4O	48.8	446	3.2	25	0	3	2	"InChI=1S/C20H16N4O/c1-23-11-15(13-7-3-5-9-17(13)23)19-20(22-25-21-19)16-12-24(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3"	CN1C=C(C2=CC=CC=C21)C3=NON=C3C4=CN(C5=CC=CC=C54)C	BYCFNFRFVITXCN-UHFFFAOYSA-N
DG69811	"5-acetyl-3-amino-6-methyl-N-naphthalen-1-ylthieno[2,3-b]pyridine-2-carboxamide"	155812517	CHEMBL4762092; NSC794196; NSC-794196	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794196	.	.	.	.	375.4	C21H17N3O2S	113	586	4.6	27	2	5	3	"InChI=1S/C21H17N3O2S/c1-11-15(12(2)25)10-16-18(22)19(27-21(16)23-11)20(26)24-17-9-5-7-13-6-3-4-8-14(13)17/h3-10H,22H2,1-2H3,(H,24,26)"	CC1=C(C=C2C(=C(SC2=N1)C(=O)NC3=CC=CC4=CC=CC=C43)N)C(=O)C	SUMCUKGTHJMNLG-UHFFFAOYSA-N
DG69812	"(3R)-4-(3-fluoro-4-methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one"	155812520	NSC788819; NSC-788819	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788819	.	.	.	.	437.5	C25H24FNO5	57.2	616	4.2	32	0	6	7	"InChI=1S/C25H24FNO5/c1-29-19-11-10-16(12-18(19)26)23-22(15-8-6-5-7-9-15)25(28)27(23)17-13-20(30-2)24(32-4)21(14-17)31-3/h5-14,22-23H,1-4H3/t22-,23 /m1/s1"	COC1=C(C=C(C=C1)C2[C@H](C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4)F	SXXFGTCCPRGGCJ-WTQRLHSKSA-N
DG69813	NSC783298	155812555	"(2S,3S)-3-[(3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2S,4R,5R)-4-[(2S,4R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-2-[(2S,4R,5R)-4-[(2S,4R,5S)-4-[(2S,4R,5R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one; NSC783298; NSC-783298"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783298	.	.	.	.	1071.1	C51H74O24	358	1890	0.4	75	11	24	15	"InChI=1S/C51H74O24/c1-17-29(71-35-14-30(44(59)21(5)68-35)72-33-12-27(53)42(57)19(3)66-33)11-25-9-24-10-26(50(65-8)49(64)41(56)18(2)52)51(48(63)39(24)47(62)38(25)40(17)55)75-37-16-32(46(61)23(7)70-37)74-36-15-31(45(60)22(6)69-36)73-34-13-28(54)43(58)20(4)67-34/h9,11,18-23,26-28,30-37,41-46,50-62H,10,12-16H2,1-8H3/t18-,19 ,20 ,21 ,22 ,23 ,26+,27-,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43+,44-,45+,46-,50 ,51+/m1/s1"	CC1[C@@H]([C@@H](C[C@@H](O1)O[C@@H]2C[C@@H](OC([C@@H]2O)C)O[C@@H]3C[C@@H](OC([C@H]3O)C)O[C@H]4[C@@H](CC5=C(C4=O)C(=C6C(=C5)C=C(C(=C6O)C)O[C@H]7C[C@H]([C@@H](C(O7)C)O)O[C@H]8C[C@H]([C@@H](C(O8)C)O)O)O)C(C(=O)[C@H]([C@@H](C)O)O)OC)O)O	KFNMIACXDPOGJG-KBBWBNCFSA-N
DG69814	"4-[4-[5-methoxy-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]butyl]morpholine"	155812561	NSC789195; NSC-789195	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789195	.	.	.	.	487.6	C27H29N5O2S	96.4	682	4	35	1	6	8	"InChI=1S/C27H29N5O2S/c1-33-19-6-7-25-21(15-19)23(17-32(25)10-3-2-9-31-11-13-34-14-12-31)27-30-24(18-35-27)22-16-29-26-20(22)5-4-8-28-26/h4-8,15-18H,2-3,9-14H2,1H3,(H,28,29)"	COC1=CC2=C(C=C1)N(C=C2C3=NC(=CS3)C4=CNC5=C4C=CC=N5)CCCCN6CCOCC6	YMVMKSJHKSHGNH-UHFFFAOYSA-N
DG69815	NSC797587	155812565	"(E)-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]-3-phenylprop-2-enamide; NSC797587; NSC-797587"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797587	.	.	.	.	393.5	C24H27NO4	67.9	733	3.2	29	1	4	4	"InChI=1S/C24H27NO4/c1-16-19-12-10-18(15-25-20(26)13-11-17-7-4-3-5-8-17)9-6-14-24(2)22(29-24)21(19)28-23(16)27/h3-5,7-9,11,13,19,21-22H,1,6,10,12,14-15H2,2H3,(H,25,26)/b13-11+,18-9+/t19-,21-,22-,24+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CNC(=O)/C=C/C4=CC=CC=C4	XKSKLCTXUXAJBA-FNCJUPDBSA-N
DG69816	NSC803211	155812593	"(11Z)-3,5-dimethyl-11-[[4-(trifluoromethyl)phenyl]methylidene]-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione; NSC803211; NSC-803211"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803211	.	.	.	.	397.4	C16H14F3N5O2S	93.6	732	3	27	1	8	1	"InChI=1S/C16H14F3N5O2S/c1-22-11-12(23(2)15(22)26)24-13(25)10(27-14(24)21-20-11)7-8-3-5-9(6-4-8)16(17,18)19/h3-7,11-12,20H,1-2H3/b10-7-"	CN1C2C(N(C1=O)C)N3C(=O)/C(=C/C4=CC=C(C=C4)C(F)(F)F)/SC3=NN2	MNNWKCCCJBKURB-YFHOEESVSA-N
DG69817	(Z)-2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one	155812611	NSC798978; NSC-798978	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798978	.	.	.	.	423.9	C23H18ClNO3S	88.2	581	6.7	29	0	4	6	"InChI=1S/C23H18ClNO3S/c1-16-2-8-19(9-3-16)23(26)22(29-15-18-4-10-20(24)11-5-18)14-17-6-12-21(13-7-17)25(27)28/h2-14H,15H2,1H3/b22-14-"	CC1=CC=C(C=C1)C(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/SCC3=CC=C(C=C3)Cl	USQHBPQIPLWXOH-HMAPJEAMSA-N
DG69818	NSC798862	155812613	"N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]naphthalene-1-carboxamide; NSC798862; NSC-798862"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798862	.	.	.	.	417.5	C26H27NO4	67.9	788	4	31	1	4	3	"InChI=1S/C26H27NO4/c1-16-19-13-12-17(7-6-14-26(2)23(31-26)22(19)30-25(16)29)15-27-24(28)21-11-5-9-18-8-3-4-10-20(18)21/h3-5,7-11,19,22-23H,1,6,12-15H2,2H3,(H,27,28)/b17-7+/t19-,22-,23-,26+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CNC(=O)C4=CC=CC5=CC=CC=C54	DVQJWMPJVFJGND-AKYDVEDYSA-N
DG69819	(E)-2-[(4-fluorophenyl)methylsulfinyl]-1-(4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one	155812618	NSC798976; NSC-798976	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798976	.	.	.	.	423.5	C23H18FNO4S	99.2	653	4.9	30	0	6	6	"InChI=1S/C23H18FNO4S/c1-16-2-8-19(9-3-16)23(26)22(14-17-6-12-21(13-7-17)25(27)28)30(29)15-18-4-10-20(24)11-5-18/h2-14H,15H2,1H3/b22-14+"	CC1=CC=C(C=C1)C(=O)/C(=C\\C2=CC=C(C=C2)[N+](=O)[O-])/S(=O)CC3=CC=C(C=C3)F	QRIXGFZSYNSPRP-HYARGMPZSA-N
DG69820	NSC801833	155812624	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[[4-[(3,5-dioxo-2-phenyl-1,2,4-thiadiazolidin-4-yl)methyl]phenyl]methyl]carbamate; NSC801833; NSC-801833"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801833	.	.	.	.	603.7	C32H33N3O7S	143	1160	4.1	43	1	8	8	"InChI=1S/C32H33N3O7S/c1-20-25-15-14-23(7-6-16-32(2)27(42-32)26(25)41-28(20)36)19-40-29(37)33-17-21-10-12-22(13-11-21)18-34-30(38)35(43-31(34)39)24-8-4-3-5-9-24/h3-5,7-13,25-27H,1,6,14-19H2,2H3,(H,33,37)/b23-7+/t25-,26-,27-,32+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCC4=CC=C(C=C4)CN5C(=O)N(SC5=O)C6=CC=CC=C6	ABYKPBDVHQCKSQ-ZJAGGPIYSA-N
DG69821	[(E)-[5-fluoro-2-(4-methylsulfonylphenyl)-1H-indol-3-yl]methylideneamino]thiourea	155812680	NSC801886; NSC-801886	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801886	.	.	.	.	390.5	C17H15FN4O2S2	141	644	2.3	26	3	5	4	"InChI=1S/C17H15FN4O2S2/c1-26(23,24)12-5-2-10(3-6-12)16-14(9-20-22-17(19)25)13-8-11(18)4-7-15(13)21-16/h2-9,21H,1H3,(H3,19,22,25)/b20-9+"	CS(=O)(=O)C1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)F)/C=N/NC(=S)N	LEAHOGHZIYEMQE-AWQFTUOYSA-N
DG69822	(2Z)-6-methyl-2-[(5-nitrofuran-2-yl)methylidene]-1-benzofuran-3-one	155812777	NSC772279; NSC-772279	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772279	.	.	.	.	271.22	C14H9NO5	85.3	455	3.2	20	0	5	1	"InChI=1S/C14H9NO5/c1-8-2-4-10-11(6-8)20-12(14(10)16)7-9-3-5-13(19-9)15(17)18/h2-7H,1H3/b12-7-"	CC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=C(O3)[N+](=O)[O-])/O2	LPWOBZJUPUQCTO-GHXNOFRVSA-N
DG69823	NSC775609	155812848	"methyl (1R,9R,10S,11R,12R,13R,15S,20R)-11-acetyloxy-12-ethyl-4-[(12S,14R,16S)-16-ethyl-16-hydroxy-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6-triene-10-carboxylate; NSC775609; NSC-775609"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775609	.	.	.	.	811	C46H58N4O9	154	1720	3.3	59	3	12	10	"InChI=1S/C46H58N4O9/c1-8-42(54)19-26-20-45(40(52)57-6,36-29(23-49(21-26)24-42)28-12-10-11-13-33(28)47-36)32-17-31-34(18-35(32)56-5)48(4)38-44(31)14-15-50-22-27-16-30(27)43(9-2,37(44)50)39(59-25(3)51)46(38,55)41(53)58-7/h10-13,17-18,26-27,30,37-39,47,54-55H,8-9,14-16,19-24H2,1-7H3/t26-,27+,30+,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1"	CC[C@@]1(C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@]([C@@H]1C[C@@H]1C9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	MFPUNENLVZPHFO-CFCAUJNSSA-N
DG69824	"2-[2-(4-Methylphenoxy)quinolin-3-yl]-5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazole"	155812876	NSC776971; NSC-776971	.	.	Investigative Drug(s)	Investigative	Small molecular drug	776971	.	.	.	.	539.6	C33H25N5O3	88.1	821	6.6	41	0	7	8	"InChI=1S/C33H25N5O3/c1-22-15-17-25(18-16-22)40-32-26(19-23-9-5-6-12-27(23)35-32)33-37-36-31(41-33)20-38-29-14-8-7-13-28(29)34-30(38)21-39-24-10-3-2-4-11-24/h2-19H,20-21H2,1H3"	CC1=CC=C(C=C1)OC2=NC3=CC=CC=C3C=C2C4=NN=C(O4)CN5C6=CC=CC=C6N=C5COC7=CC=CC=C7	ZWSIUTMJLXPNFB-UHFFFAOYSA-N
DG69825	"7-(Furan-2-yl)-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine"	155812934	NSC754809; NSC-754809	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754809	.	.	.	.	335.4	C19H17N3O3	62.3	419	2.8	25	0	5	6	"InChI=1S/C19H17N3O3/c1-23-19-18-17(20-12-21-19)15(16-8-5-9-25-16)10-22(18)13-24-11-14-6-3-2-4-7-14/h2-10,12H,11,13H2,1H3"	COC1=NC=NC2=C1N(C=C2C3=CC=CO3)COCC4=CC=CC=C4	PRKFETBBZOULQW-UHFFFAOYSA-N
DG69826	"3-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	155812962	NSC766103; NSC-766103	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766103	.	.	.	.	340.4	C16H16N6OS	95.4	483	3	24	0	6	3	"InChI=1S/C16H16N6OS/c1-10-8-11(2)21(19-10)15-17-18-16-22(15)20-14(9-24-16)12-4-6-13(23-3)7-5-12/h4-8H,9H2,1-3H3"	CC1=CC(=NN1C2=NN=C3N2N=C(CS3)C4=CC=C(C=C4)OC)C	NBWLTPLUWUQXDF-UHFFFAOYSA-N
DG69827	NSC761582	155812978	"methyl (1R,9R,10S,11R,12R,13R,15S,20R)-11-acetyloxy-12-ethyl-4-[(15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6-triene-10-carboxylate; NSC761582; NSC-761582"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761582	.	.	.	.	825	C47H60N4O9	154	1740	3.7	60	3	12	10	"InChI=1S/C47H60N4O9/c1-8-43(55)21-27-22-46(41(53)58-6,37-30(14-16-50(23-27)25-43)29-12-10-11-13-34(29)48-37)33-19-32-35(20-36(33)57-5)49(4)39-45(32)15-17-51-24-28-18-31(28)44(9-2,38(45)51)40(60-26(3)52)47(39,56)42(54)59-7/h10-13,19-20,27-28,31,38-40,48,55-56H,8-9,14-18,21-25H2,1-7H3/t27-,28-,31-,38+,39-,40-,43+,44-,45-,46 ,47+/m1/s1"	CC[C@@]1(C[C@@H]2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@]([C@@H]1C[C@@H]1C9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	NCGOMPSMYUGVQC-WSGDVLFSSA-N
DG69828	"2-Methoxy-5-(8-oxothieno[2,3-b]pyrrolizin-3-yl)phenolate"	155812989	NSC763847; NSC-763847	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763847	.	.	.	.	296.3	C16H10NO3S-	82.5	432	4.1	21	0	4	2	"InChI=1S/C16H11NO3S/c1-20-13-5-4-9(7-12(13)18)10-8-21-16-14(10)17-6-2-3-11(17)15(16)19/h2-8,18H,1H3/p-1"	COC1=C(C=C(C=C1)C2=CSC3=C2N4C=CC=C4C3=O)[O-]	IXGRUAKWRHZSAP-UHFFFAOYSA-M
DG69829	Copper;[benzenecarbonothioyl(methyl)amino]-[3-[benzenecarbonothioyl(methyl)amino]azanidyl-3-oxopropanoyl]azanide	155813013	NSC766922; NSC-766922; 1224195-72-5	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766922	.	.	.	.	462.1	C19H18CuN4O2S2	107	516	.	28	0	6	2	"InChI=1S/C19H20N4O2S2.Cu/c1-22(18(26)14-9-5-3-6-10-14)20-16(24)13-17(25)21-23(2)19(27)15-11-7-4-8-12-15;/h3-12H,13H2,1-2H3,(H2,20,21,24,25);/q;+2/p-2"	CN(C(=S)C1=CC=CC=C1)[N-]C(=O)CC(=O)[N-]N(C)C(=S)C2=CC=CC=C2.[Cu+2]	UUSCWIGUMPDFDE-UHFFFAOYSA-L
DG69830	NSC765762	155813017	"(2R,12S)-4,5,9,11,15,19-hexamethyl-13-methylidene-7,17-diphenyl-5,7,8,16,17,19-hexazahexacyclo[10.7.1.11,4.02,11.06,10.014,18]henicosa-6(10),8,14(18),15-tetraene; NSC765762; NSC-765762"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765762	.	.	.	.	530.7	C34H38N6	42.1	1040	6.9	40	0	4	2	"InChI=1S/C34H38N6/c1-21-26-18-34(38(7)30-28(21)22(2)35-39(30)24-14-10-8-11-15-24)20-32(4)19-27(34)33(26,5)29-23(3)36-40(31(29)37(32)6)25-16-12-9-13-17-25/h8-17,26-27H,1,18-20H2,2-7H3/t26-,27+,32 ,33 ,34 /m0/s1"	CC1=NN(C2=C1C(=C)[C@@H]3CC4(N2C)CC5(C[C@@H]4C3(C6=C(N5C)N(N=C6C)C7=CC=CC=C7)C)C)C8=CC=CC=C8	NHFSUXLRHXIIBC-XXEWBFARSA-N
DG69831	"4,5-Dimethyl-1,8,12-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one"	155813018	NSC754583; NSC-754583	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754583	.	.	.	.	263.29	C16H13N3O	46.9	413	2.6	20	1	2	0	"InChI=1S/C16H13N3O/c1-9-6-12-13(7-10(9)2)19-8-11-4-3-5-17-14(11)15(19)16(20)18-12/h3-8H,1-2H3,(H,18,20)"	CC1=CC2=C(C=C1C)N3C=C4C=CC=NC4=C3C(=O)N2	WDHNDTGQONXEOU-UHFFFAOYSA-N
DG69832	"1-(6-fluoro-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine"	155813090	NSC766325; NSC-766325	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766325	.	.	.	.	358.4	C21H15FN4O	55.2	514	4.8	27	1	4	3	"InChI=1S/C21H15FN4O/c1-27-15-8-5-13(6-9-15)21-25-19(18-4-2-3-11-26(18)21)20-23-16-10-7-14(22)12-17(16)24-20/h2-12H,1H3,(H,23,24)"	COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=C(N4)C=C(C=C5)F	MVRNDEWDXKBSHJ-UHFFFAOYSA-N
DG69833	"3-[(Z)-[1-(3,5-dimethoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-5-methoxy-1H-indol-2-ol"	155813091	NSC761832; NSC-761832	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761832	.	.	.	.	477.5	C29H23N3O4	88.4	946	4.9	36	2	6	5	"InChI=1S/C29H23N3O4/c1-34-18-8-9-26-22(15-18)24(29(33)32-26)13-17-12-23-21-6-4-5-7-25(21)31-28(23)27(30-17)16-10-19(35-2)14-20(11-16)36-3/h4-15,32-33H,1-3H3/b17-13-"	COC1=CC2=C(C=C1)NC(=C2/C=C\\3/C=C4C5=CC=CC=C5N=C4C(=N3)C6=CC(=CC(=C6)OC)OC)O	BSCZLQXCWOKETA-LGMDPLHJSA-N
DG69834	"2-Methoxy-4-(6-methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)phenol"	155813113	NSC755302; NSC-755302	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755302	.	.	.	.	402.5	C23H18N2O3S	84.2	560	6.2	29	1	5	4	"InChI=1S/C23H18N2O3S/c1-27-16-9-10-17-20(13-16)29-23-24-21(14-6-4-3-5-7-14)22(25(17)23)15-8-11-18(26)19(12-15)28-2/h3-13,26H,1-2H3"	COC1=CC2=C(C=C1)N3C(=C(N=C3S2)C4=CC=CC=C4)C5=CC(=C(C=C5)O)OC	CUEMZRKXHHJECX-UHFFFAOYSA-N
DG69835	"5-chloro-3-[(Z)-[1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol"	155813127	NSC761819; NSC-761819	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761819	.	.	.	.	512	C29H22ClN3O4	88.4	982	5.6	37	2	6	5	"InChI=1S/C29H22ClN3O4/c1-35-24-10-15(11-25(36-2)28(24)37-3)26-27-20(18-6-4-5-7-22(18)32-27)13-17(31-26)14-21-19-12-16(30)8-9-23(19)33-29(21)34/h4-14,33-34H,1-3H3/b17-14-"	COC1=CC(=CC(=C1OC)OC)C2=N/C(=C\\C3=C(NC4=C3C=C(C=C4)Cl)O)/C=C5C2=NC6=CC=CC=C65	XKBTXGDVSVILHN-VKAVYKQESA-N
DG69836	"(E)-3-(3-amino-4-methoxyphenyl)-1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	155813244	NSC795434; NSC-795434	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795434	.	.	.	.	517.6	C30H35N3O5	86.5	764	4.6	38	1	7	8	"InChI=1S/C30H35N3O5/c1-20-6-9-23(10-7-20)32-12-14-33(15-13-32)30(34)24(16-21-8-11-26(35-2)25(31)17-21)22-18-27(36-3)29(38-5)28(19-22)37-4/h6-11,16-19H,12-15,31H2,1-5H3/b24-16+"	CC1=CC=C(C=C1)N2CCN(CC2)C(=O)/C(=C/C3=CC(=C(C=C3)OC)N)/C4=CC(=C(C(=C4)OC)OC)OC	GPEAJFNUESESOH-LFVJCYFKSA-N
DG69837	N-[4-(cycloheptylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfonyl-2-phenylacetamide	155813253	NSC791540; NSC-791540	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791540	.	.	.	.	544.7	C27H29FN2O5S2	126	932	5.7	37	2	7	8	"InChI=1S/C27H29FN2O5S2/c28-21-12-16-24(17-13-21)36(32,33)26(20-8-4-3-5-9-20)27(31)29-22-14-18-25(19-15-22)37(34,35)30-23-10-6-1-2-7-11-23/h3-5,8-9,12-19,23,26,30H,1-2,6-7,10-11H2,(H,29,31)"	C1CCCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F	FTXVHRXCHNRRMP-UHFFFAOYSA-N
DG69838	"7-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxypyridin-3-yl]quinolin-4-yl]-N-hydroxyhept-6-ynamide"	155813265	NSC783229; NSC-783229	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783229	.	.	.	.	566.6	C28H24F2N4O5S	139	1020	4.1	40	3	10	10	"InChI=1S/C28H24F2N4O5S/c1-39-28-25(34-40(37,38)26-11-9-21(29)16-23(26)30)15-20(17-32-28)19-8-10-24-22(14-19)18(12-13-31-24)6-4-2-3-5-7-27(35)33-36/h8-17,34,36H,2-3,5,7H2,1H3,(H,33,35)"	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C#CCCCCC(=O)NO)NS(=O)(=O)C4=C(C=C(C=C4)F)F	HEXJQWUHJDNJFJ-UHFFFAOYSA-N
DG69839	NSC797882	155813269	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate; NSC797882; NSC-797882"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797882	.	.	.	.	480.6	C27H32N2O6	102	874	3.5	35	2	6	7	"InChI=1S/C27H32N2O6/c1-16-20-8-6-17(5-4-11-27(2)24(35-27)23(20)34-25(16)30)15-33-26(31)28-12-10-18-14-29-22-9-7-19(32-3)13-21(18)22/h5,7,9,13-14,20,23-24,29H,1,4,6,8,10-12,15H2,2-3H3,(H,28,31)/b17-5+/t20-,23-,24-,27+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCCC4=CNC5=C4C=C(C=C5)OC	QBJFIYKXBCTYOL-AOJANBIMSA-N
DG69840	"2-(4-Chlorophenyl)-5,7-dihydroxychromene-4-thione"	155813287	NSC783090; NSC-783090	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783090	.	.	.	.	304.7	C15H9ClO3S	81.8	417	2.8	20	2	4	1	"InChI=1S/C15H9ClO3S/c16-9-3-1-8(2-4-9)12-7-14(20)15-11(18)5-10(17)6-13(15)19-12/h1-7,17-18H"	C1=CC(=CC=C1C2=CC(=S)C3=C(C=C(C=C3O2)O)O)Cl	SQKWIVWNSNAGMH-UHFFFAOYSA-N
DG69841	"(E)-3-(3-hydroxy-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	155813314	NSC791047; NSC-791047	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791047	.	.	.	.	504.6	C29H32N2O6	80.7	735	4.6	37	1	7	8	"InChI=1S/C29H32N2O6/c1-34-25-11-10-20(17-24(25)32)16-23(21-18-26(35-2)28(37-4)27(19-21)36-3)29(33)31-14-12-30(13-15-31)22-8-6-5-7-9-22/h5-11,16-19,32H,12-15H2,1-4H3/b23-16+"	COC1=C(C=C(C=C1)/C=C(\\C2=CC(=C(C(=C2)OC)OC)OC)/C(=O)N3CCN(CC3)C4=CC=CC=C4)O	GCBUTRDTRUBUGV-XQNSMLJCSA-N
DG69842	"6,8,11-Trimethyl-4-(5-methylbenzimidazol-1-yl)-5,6-dihydropyrimido[4,5-b][1]benzazepine"	155813335	NSC788710; NSC-788710	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788710	.	.	.	.	369.5	C23H23N5	46.8	555	5.1	28	0	4	1	"InChI=1S/C23H23N5/c1-14-5-7-20-17(9-14)16(3)11-18-22(27(20)4)24-12-25-23(18)28-13-26-19-10-15(2)6-8-21(19)28/h5-10,12-13,16H,11H2,1-4H3"	CC1CC2=C(N=CN=C2N(C3=C1C=C(C=C3)C)C)N4C=NC5=C4C=CC(=C5)C	AQEHZRJUUXYELN-UHFFFAOYSA-N
DG69843	"16-Chloro-12-oxa-20-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17-octaene-3,10,21-trione"	155813345	NSC791275; NSC-791275	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791275	.	.	.	.	349.7	C19H8ClNO4	76.4	637	3.5	25	1	4	0	"InChI=1S/C19H8ClNO4/c20-8-5-6-12-11(7-8)17-14(19(24)21-12)13-15(22)9-3-1-2-4-10(9)16(23)18(13)25-17/h1-7H,(H,21,24)"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC4=C3C(=O)NC5=C4C=C(C=C5)Cl	YAQNUZLIGFNDOW-UHFFFAOYSA-N
DG69844	"N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazole-7-carboxamide"	155813363	NSC797650; NSC-797650	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797650	.	.	.	.	467.5	C27H25N5O3	89.8	709	4.1	35	2	6	8	"InChI=1S/C27H25N5O3/c1-34-25-14-20(12-13-24(25)35-18-19-8-4-2-5-9-19)15-28-31-27(33)22-16-29-32-17-23(30-26(22)32)21-10-6-3-7-11-21/h2-16,23,30H,17-18H2,1H3,(H,31,33)/b28-15+"	COC1=C(C=CC(=C1)/C=N/NC(=O)C2=C3NC(CN3N=C2)C4=CC=CC=C4)OCC5=CC=CC=C5	LAPDWBTXMOQBRL-RWPZCVJISA-N
DG69845	"(3R,4R)-3-chloro-4-(4-methoxy-3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one"	155813412	NSC791049; NSC-791049	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791049	.	.	.	.	391.8	C20H22ClNO5	57.2	507	3.5	27	0	5	6	"InChI=1S/C20H22ClNO5/c1-11-8-12(6-7-14(11)24-2)18-17(21)20(23)22(18)13-9-15(25-3)19(27-5)16(10-13)26-4/h6-10,17-18H,1-5H3/t17-,18-/m1/s1"	CC1=C(C=CC(=C1)[C@@H]2[C@H](C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)Cl)OC	KFODYAUSULKTSX-QZTJIDSGSA-N
DG69846	"3-amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide"	155813416	CHEMBL4746976; NSC796026; NSC-796026	.	.	Investigative Drug(s)	Investigative	Small molecular drug	796026	.	.	.	.	338.4	C17H14N4O2S	126	517	2.6	24	2	6	2	"InChI=1S/C17H14N4O2S/c18-14-10-8-9-11(4-3-5-12(9)22)20-17(10)24-15(14)16(23)21-13-6-1-2-7-19-13/h1-2,6-8H,3-5,18H2,(H,19,21,23)"	C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC=CC=N4)N)C(=O)C1	KBAJDJHKIOBAHC-UHFFFAOYSA-N
DG69847	2-[(4-fluorobenzoyl)amino]-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide	155813437	NSC797756; NSC-797756	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797756	.	.	.	.	438.5	C26H19FN4O2	83.4	686	5.5	33	2	5	6	"InChI=1S/C26H19FN4O2/c27-20-15-13-19(14-16-20)25(32)29-22-11-5-4-10-21(22)26(33)31-30-24(18-8-2-1-3-9-18)23-12-6-7-17-28-23/h1-17H,(H,29,32)(H,31,33)/b30-24+"	C1=CC=C(C=C1)/C(=N\\NC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)F)/C4=CC=CC=N4	DKCNMCPRPOWECN-BGABXYSRSA-N
DG69848	"11-(3,4,5-trimethoxyphenyl)-5H-pyrido[3,2-c][1,7]phenanthrolin-6-one"	155813439	NSC784601; NSC-784601	.	.	Investigative Drug(s)	Investigative	Small molecular drug	784601	.	.	.	.	413.4	C24H19N3O4	82.6	634	3.2	31	1	6	4	"InChI=1S/C24H19N3O4/c1-29-18-10-13(11-19(30-2)23(18)31-3)16-12-17-14(6-4-8-25-17)22-20(16)21-15(24(28)27-22)7-5-9-26-21/h4-12H,1-3H3,(H,27,28)"	COC1=CC(=CC(=C1OC)OC)C2=CC3=C(C=CC=N3)C4=C2C5=C(C=CC=N5)C(=O)N4	WMVSZKJHXSEMPJ-UHFFFAOYSA-N
DG69849	5-[(4-Bromophenyl)methoxymethyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol	155813493	NSC782182; NSC-782182	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782182	.	.	.	.	427.3	C22H23BrN2O2	45.6	452	4	27	1	4	6	"InChI=1S/C22H23BrN2O2/c23-19-7-5-16(6-8-19)14-27-15-18-12-17(13-25-10-1-2-11-25)22(26)21-20(18)4-3-9-24-21/h3-9,12,26H,1-2,10-11,13-15H2"	C1CCN(C1)CC2=CC(=C3C=CC=NC3=C2O)COCC4=CC=C(C=C4)Br	ACJDLQAFDLDHQY-UHFFFAOYSA-N
DG69850	"2-(4-bromophenyl)-6-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide"	155813548	NSC797694; NSC-797694	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797694	.	.	.	.	555.3	C25H14BrCl2N3OS	83.1	674	7.7	33	1	4	4	"InChI=1S/C25H14BrCl2N3OS/c26-16-5-1-14(2-6-16)22-12-20(19-11-18(28)9-10-21(19)29-22)24(32)31-25-30-23(13-33-25)15-3-7-17(27)8-4-15/h1-13H,(H,30,31,32)"	C1=CC(=CC=C1C2=CSC(=N2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)Br)Cl	WTZWLKIBMZDAHQ-UHFFFAOYSA-N
DG69851	NSC781522	155813555	"16-fluoro-20-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione; NSC781522; NSC-781522"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781522	.	.	.	.	443.4	C22H18FNO8	137	820	-0.2	32	4	9	5	"InChI=1S/C22H18FNO8/c23-9-1-2-10-13(3-9)22(30)24(6-14(26)21(29)15(27)7-25)19-11-4-16-17(32-8-31-16)5-12(11)20(28)18(10)19/h1-5,14-15,21,25-27,29H,6-8H2/t14-,15+,21-/m0/s1"	C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)F)C(=O)N4C[C@@H]([C@@H]([C@@H](CO)O)O)O	FMGXTLBJBMKAAM-ZSDSOXJFSA-N
DG69852	"3-[5-[2-[[(3S)-1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol"	155813556	ARQ-680; NSC764765; NSC-764765	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764765	.	.	.	.	520.6	C24H24N8O4S	152	893	2.9	37	2	10	6	"InChI=1S/C24H24N8O4S/c1-30-11-8-20(29-30)37(34,35)31-10-3-5-17(15-31)26-23-25-9-7-19(27-23)22-21(16-4-2-6-18(33)14-16)28-24-32(22)12-13-36-24/h2,4,6-9,11-14,17,33H,3,5,10,15H2,1H3,(H,25,26,27)/t17-/m0/s1"	CN1C=CC(=N1)S(=O)(=O)N2CCC[C@@H](C2)NC3=NC=CC(=N3)C4=C(N=C5N4C=CO5)C6=CC(=CC=C6)O	NSMKGFAMLZCLIG-KRWDZBQOSA-N
DG69853	NSC766824	155813557	"(1S,2S,4R)-3-[[5-chloro-2-[(1-ethyl-6-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide; 1022957-12-5; NSC766824; NSC-766824"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766824	.	.	.	.	497	C25H29ClN6O3	123	829	3.4	35	3	7	7	"InChI=1S/C25H29ClN6O3/c1-3-32-18-10-9-17(22(35-2)15(18)5-4-6-19(32)33)29-25-28-12-16(26)24(31-25)30-21-14-8-7-13(11-14)20(21)23(27)34/h7-10,12-14,20-21H,3-6,11H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t13-,14+,20+,21 /m1/s1"	CCN1C(=O)CCCC2=C1C=CC(=C2OC)NC3=NC=C(C(=N3)NC4[C@@H]5C[C@H]([C@@H]4C(=O)N)C=C5)Cl	GLGNXYJARSMNGJ-AUZIBOLKSA-N
DG69854	"1-Phenyl-3-pyridin-2-yl-1,2,4-benzotriazin-7-one"	155813562	NSC780815; NSC-780815	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780815	.	.	.	.	300.3	C18H12N4O	57.9	611	2.7	23	0	4	2	InChI=1S/C18H12N4O/c23-14-9-10-15-17(12-14)22(13-6-2-1-3-7-13)21-18(20-15)16-8-4-5-11-19-16/h1-12H	C1=CC=C(C=C1)N2C3=CC(=O)C=CC3=NC(=N2)C4=CC=CC=N4	PZLFUJORFSGTRE-UHFFFAOYSA-N
DG69855	"N-[(Z)-pyrano[3,2-b]pyridin-4-ylideneamino]-4-pyrimidin-2-ylpiperazine-1-carboxamide"	155813572	NSC788437; NSC-788437	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788437	.	.	.	.	351.4	C17H17N7O2	95.8	553	0.8	26	1	7	2	"InChI=1S/C17H17N7O2/c25-17(22-21-13-4-12-26-14-3-1-5-18-15(13)14)24-10-8-23(9-11-24)16-19-6-2-7-20-16/h1-7,12H,8-11H2,(H,22,25)/b21-13-"	C1CN(CCN1C2=NC=CC=N2)C(=O)N/N=C\\3/C=COC4=C3N=CC=C4	CDIOIVMKMOUVRG-BKUYFWCQSA-N
DG69856	NSC780457	155813585	"methyl (2S)-2-[[(2S)-2-[(2R,3S)-3-[4-[4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5,10-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1H-anthracen-2-yl]-2-methoxyacetyl]amino]-3-methylbutanoate; NSC780457; NSC-780457"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780457	.	.	.	.	1140.2	C55H81NO24	356	2080	2.4	80	10	24	17	"InChI=1S/C55H81NO24/c1-20(2)42(54(67)70-11)56-53(66)51(69-10)29-13-27-12-28-14-31(76-36-16-32(45(60)23(5)72-36)77-35-15-30(57)44(59)22(4)71-35)21(3)43(58)40(28)48(63)41(27)49(64)50(29)80-38-18-33(46(61)25(7)74-38)78-37-17-34(47(62)24(6)73-37)79-39-19-55(9,68)52(65)26(8)75-39/h12,14,20,22-26,29-30,32-39,42,44-47,50-52,57-63,65,68H,13,15-19H2,1-11H3,(H,56,66)/t22 ,23 ,24 ,25 ,26 ,29-,30 ,32 ,33 ,34 ,35 ,36 ,37 ,38 ,39 ,42+,44 ,45 ,46 ,47 ,50+,51+,52 ,55 /m1/s1"	CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O	FYIRQUFQXRVBQV-DIJMLNEKSA-N
DG69857	"6-Ethyl-5-[3-[2-methyl-7-(2-methylpyridin-4-yl)-1,3-benzoxazol-5-yl]but-1-ynyl]pyrimidine-2,4-diamine"	155813588	NSC794221; NSC-794221	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794221	.	.	.	.	412.5	C24H24N6O	117	676	4.2	31	2	7	4	"InChI=1S/C24H24N6O/c1-5-20-18(23(25)30-24(26)29-20)7-6-13(2)17-11-19(16-8-9-27-14(3)10-16)22-21(12-17)28-15(4)31-22/h8-13H,5H2,1-4H3,(H4,25,26,29,30)"	CCC1=C(C(=NC(=N1)N)N)C#CC(C)C2=CC(=C3C(=C2)N=C(O3)C)C4=CC(=NC=C4)C	AQVXAJHYIYOFEV-UHFFFAOYSA-N
DG69858	NSC788586	155813640	"(4S,6R)-6-[(3S,4R,6S)-6-[(3R,4R,6S)-6-[[(2S,3S)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2S,4R,5R)-4-[(2S,4R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]oxy-3-hydroxy-2-methyloxan-4-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-one; NSC788586; NSC-788586"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788586	.	.	.	.	1083.1	C52H74O24	355	1980	1	76	10	24	15	"InChI=1S/C52H74O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-50,53-61,65H,11,13-17H2,1-9H3/t19-,20 ,21 ,22 ,23 ,24 ,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,52+/m1/s1"	CC1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2C[C@@H](OC([C@H]2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]6C[C@H]([C@@H](C(O6)C)O)O[C@H]7C[C@H]([C@H](C(O7)C)O)O[C@H]8C[C@](C(=O)C(O8)C)(C)O)C(=C4C(=C3C)O)O)O)O	DXHAESYIXMABOA-UDUYQSOBSA-N
DG69859	"4-amino-N-[1-(3-chloro-2-fluoroanilino)-6-methylisoquinolin-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide"	155813674	GDC5573; NSC817040; NSC-817040	.	.	Investigative Drug(s)	Investigative	Small molecular drug	817040	.	.	.	.	478.9	C23H16ClFN6OS	134	708	4.9	33	3	8	4	"InChI=1S/C23H16ClFN6OS/c1-11-5-6-12-13(7-11)17(8-27-22(12)30-16-4-2-3-15(24)18(16)25)31-23(32)14-9-33-20-19(14)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)"	CC1=CC2=C(C=C1)C(=NC=C2NC(=O)C3=CSC4=C3N=CN=C4N)NC5=C(C(=CC=C5)Cl)F	SCJBTFONVDQFCO-UHFFFAOYSA-N
DG69860	NSC782957	155813715	"3,4-Dihydroxy-2-methyl-17-(2-morpholin-4-ylethyl)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaene-16,18-dione; NSC782957; NSC-782957"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782957	.	.	.	.	566.6	C32H30N4O6	109	1130	2.2	42	2	7	3	"InChI=1S/C32H30N4O6/c1-32-29(38)21(37)16-22(42-32)35-19-8-4-2-6-17(19)23-25-26(24-18-7-3-5-9-20(18)36(32)28(24)27(23)35)31(40)34(30(25)39)11-10-33-12-14-41-15-13-33/h2-9,21-22,29,37-38H,10-16H2,1H3"	CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(=O)N(C6=O)CCN9CCOCC9)O)O	DXBAQAMYLCKDOJ-UHFFFAOYSA-N
DG69861	N-[3-[[2-[4-[2-(difluoromethoxy)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide	155813727	NSC782919; NSC-782919	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782919	.	.	.	.	459.4	C22H20F3N5O3	97.4	610	4.6	33	3	10	11	"InChI=1S/C22H20F3N5O3/c1-2-19(31)27-15-4-3-5-16(12-15)28-20-18(23)13-26-22(30-20)29-14-6-8-17(9-7-14)32-10-11-33-21(24)25/h2-9,12-13,21H,1,10-11H2,(H,27,31)(H2,26,28,29,30)"	C=CC(=O)NC1=CC=CC(=C1)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)OCCOC(F)F	XMQWXTXYQDCJRW-UHFFFAOYSA-N
DG69862	"3-(4-Bromophenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one"	155813775	NSC794226; NSC-794226	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794226	.	.	.	.	277.11	C13H9BrO2	37.3	371	3.3	16	1	2	1	"InChI=1S/C13H9BrO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(15)13(11)16/h1-8H,(H,15,16)"	C1=CC(=C(C(=O)C=C1)O)C2=CC=C(C=C2)Br	VKXKMUQYQLPIJD-UHFFFAOYSA-N
DG69863	"bis[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl] butanedioate"	155813811	NSC791776; NSC-791776	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791776	.	.	.	.	610.7	C34H42O10	130	1230	3	44	0	10	9	"InChI=1S/C34H42O10/c1-19-23-11-9-21(7-5-15-33(3)29(43-33)27(23)41-31(19)37)17-39-25(35)13-14-26(36)40-18-22-8-6-16-34(4)30(44-34)28-24(12-10-22)20(2)32(38)42-28/h7-8,23-24,27-30H,1-2,5-6,9-18H2,3-4H3/b21-7+,22-8+/t23-,24-,27-,28-,29-,30-,33+,34+/m0/s1"	C[C@]12O[C@H]1[C@H]3OC(=O)C(=C)[C@@H]3CC/C(=C\\CC2)/COC(=O)CCC(=O)OC/C/4=C/CC[C@]5(O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4)C	ZEIYMNAKPIZFOB-MYZIRJGNSA-N
DG69864	NSC796319	155813820	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 2-[4-(2-methylpropyl)phenyl]propanoate; NSC796319; NSC-796319"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	796319	.	.	.	.	452.6	C28H36O5	65.099	790	5.4	33	0	5	7	"InChI=1S/C28H36O5/c1-17(2)15-20-8-11-22(12-9-20)18(3)26(29)31-16-21-7-6-14-28(5)25(33-28)24-23(13-10-21)19(4)27(30)32-24/h7-9,11-12,17-18,23-25H,4,6,10,13-16H2,1-3,5H3/b21-7+/t18 ,23-,24-,25-,28+/m0/s1"	CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC/C/2=C/CC[C@@]3([C@@H](O3)[C@@H]4[C@@H](CC2)C(=C)C(=O)O4)C	SUKRULKGPBZTBI-WGXNNALFSA-N
DG69865	"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-hexadecanoylsulfamate"	155813854	CHEMBL4794550; BDBM50565062; NSC789871; NSC-789871	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789871	.	.	.	.	584.7	C26H44N6O7S	200	848	4.5	40	4	11	19	"InChI=1S/C26H44N6O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(33)31-40(36,37)38-16-19-22(34)23(35)26(39-19)32-18-30-21-24(27)28-17-29-25(21)32/h17-19,22-23,26,34-35H,2-16H2,1H3,(H,31,33)(H2,27,28,29)/t19-,22-,23-,26-/m1/s1"	CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O	ISYQHZMNRMKGOH-VJUOEERUSA-N
DG69866	"5,11-dimethyl-2-propan-2-yl-10H-pyrido[3,4-b]carbazol-2-ium"	155813893	NSC785685; NSC-785685	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785685	.	.	.	.	289.4	C20H21N2+	19.7	407	5.6	22	1	0	1	"InChI=1S/C20H20N2/c1-12(2)22-10-9-15-13(3)19-16-7-5-6-8-18(16)21-20(19)14(4)17(15)11-22/h5-12H,1-4H3/p+1"	CC1=C2C=C[N+](=CC2=C(C3=C1C4=CC=CC=C4N3)C)C(C)C	CMZUQVFEPARAKX-UHFFFAOYSA-O
DG69867	N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-2-(2-octadecoxyphenyl)acetamide	155813999	NSC802623; NSC-802623	.	.	Investigative Drug(s)	Investigative	Small molecular drug	802623	.	.	.	.	531.8	C33H59N2O3+	47.6	564	9.6	38	1	3	23	"InChI=1S/C33H58N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-38-32-22-19-18-21-31(32)30-33(36)34-23-24-35(2)25-28-37-29-26-35/h18-19,21-22H,3-17,20,23-30H2,1-2H3/p+1"	CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(=O)NCC[N+]2(CCOCC2)C	JCNZLEGQKBSCPN-UHFFFAOYSA-O
DG69868	"N-(4-methoxyphenyl)-3-(5,6,7-trimethoxy-3,4-dihydro-2H-chromen-2-yl)benzamide"	155814000	NSC802642; NSC-802642	.	.	Investigative Drug(s)	Investigative	Small molecular drug	802642	.	.	.	.	449.5	C26H27NO6	75.2	624	4.5	33	1	6	7	"InChI=1S/C26H27NO6/c1-29-19-10-8-18(9-11-19)27-26(28)17-7-5-6-16(14-17)21-13-12-20-22(33-21)15-23(30-2)25(32-4)24(20)31-3/h5-11,14-15,21H,12-13H2,1-4H3,(H,27,28)"	COC1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)C3CCC4=C(C(=C(C=C4O3)OC)OC)OC	UYVMJFWMWINCSW-UHFFFAOYSA-N
DG69869	"7-(4-Chlorophenyl)spiro[1,2,4,5,7-tetraoxazocane-3,2'-adamantane]"	155814032	NSC803448; NSC-803448	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803448	.	.	.	.	351.8	C18H22ClNO4	40.2	428	4.7	24	0	5	1	"InChI=1S/C18H22ClNO4/c19-16-1-3-17(4-2-16)20-10-21-23-18(24-22-11-20)14-6-12-5-13(8-14)9-15(18)7-12/h1-4,12-15H,5-11H2"	C1C2CC3CC1CC(C2)C34OOCN(COO4)C5=CC=C(C=C5)Cl	RPHKQQPFALSSGX-UHFFFAOYSA-N
DG69870	"3-(5-Bromo-1-methylindol-3-yl)-4-(1-methylindol-3-yl)-1,2,5-oxadiazole"	155814079	NSC801544; NSC-801544	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801544	.	.	.	.	407.3	C20H15BrN4O	48.8	522	3.9	26	0	3	2	"InChI=1S/C20H15BrN4O/c1-24-10-15(13-5-3-4-6-17(13)24)19-20(23-26-22-19)16-11-25(2)18-8-7-12(21)9-14(16)18/h3-11H,1-2H3"	CN1C=C(C2=C1C=CC(=C2)Br)C3=NON=C3C4=CN(C5=CC=CC=C54)C	PXYJEUYSWXKSSG-UHFFFAOYSA-N
DG69871	"2-amino-7-(dimethylamino)-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4H-chromene-3-carbonitrile"	155814126	NSC787852; NSC-787852	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787852	.	.	.	.	360.5	C22H24N4O	65.5	636	3.9	27	1	5	2	"InChI=1S/C22H24N4O/c1-25(2)16-7-8-17-20(12-16)27-22(24)18(13-23)21(17)15-6-9-19-14(11-15)5-4-10-26(19)3/h6-9,11-12,21H,4-5,10,24H2,1-3H3"	CN1CCCC2=C1C=CC(=C2)C3C4=C(C=C(C=C4)N(C)C)OC(=C3C#N)N	NWUGXHNOQBPZTO-UHFFFAOYSA-N
DG69872	NSC782960	155814149	"17-[2-(Dimethylamino)ethyl]-3,4-dihydroxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaene-16,18-dione; NSC782960; NSC-782960"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782960	.	.	.	.	524.6	C30H28N4O5	100	1060	2.6	39	2	6	3	"InChI=1S/C30H28N4O5/c1-30-27(36)19(35)14-20(39-30)33-17-10-6-4-8-15(17)21-23-24(29(38)32(28(23)37)13-12-31(2)3)22-16-9-5-7-11-18(16)34(30)26(22)25(21)33/h4-11,19-20,27,35-36H,12-14H2,1-3H3"	CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(=O)N(C6=O)CCN(C)C)O)O	ZLJSDLKUIBFILV-UHFFFAOYSA-N
DG69873	NSC782961	155814151	"13-[2-[[(1R,2R)-2-aminocyclopentyl]amino]ethyl]-3-(4,5-dihydroxy-6-methyloxan-2-yl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione; NSC782961; NSC-782961"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782961	.	.	.	.	581.7	C33H35N5O5	146	1090	2.6	43	5	7	5	"InChI=1S/C33H35N5O5/c1-16-31(40)23(39)15-24(43-16)38-22-12-5-3-8-18(22)26-28-27(25-17-7-2-4-10-20(17)36-29(25)30(26)38)32(41)37(33(28)42)14-13-35-21-11-6-9-19(21)34/h2-5,7-8,10,12,16,19,21,23-24,31,35-36,39-40H,6,9,11,13-15,34H2,1H3/t16 ,19-,21-,23 ,24 ,31 /m1/s1"	CC1C(C(CC(O1)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)N(C5=O)CCN[C@@H]8CCC[C@H]8N)O)O	BKZBMOQAWMEOBB-LKSZMPJKSA-N
DG69874	"N-(4-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-imine"	155814187	NSC790949; NSC-790949	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790949	.	.	.	.	381.5	C19H19N5S2	109	536	4.5	26	1	5	2	"InChI=1S/C19H19N5S2/c1-12-6-8-13(9-7-12)20-17-11-26-19-22-21-18(24(19)23-17)15-10-25-16-5-3-2-4-14(15)16/h6-10H,2-5,11H2,1H3,(H,20,23)"	CC1=CC=C(C=C1)N=C2CSC3=NN=C(N3N2)C4=CSC5=C4CCCC5	UFSYDDIWUMGANS-UHFFFAOYSA-N
DG69875	"(11Z)-3,5-diethyl-11-(furan-2-ylmethylidene)-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione"	155814219	NSC803212; NSC-803212	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803212	.	.	.	.	347.4	C15H17N5O3S	107	637	2	24	1	6	3	"InChI=1S/C15H17N5O3S/c1-3-18-11-12(19(4-2)15(18)22)20-13(21)10(24-14(20)17-16-11)8-9-6-5-7-23-9/h5-8,11-12,16H,3-4H2,1-2H3/b10-8-"	CCN1C2C(N(C1=O)CC)N3C(=O)/C(=C/C4=CC=CO4)/SC3=NN2	PWICDZUYUAIKPV-NTMALXAHSA-N
DG69876	(E)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfinyl]-3-(4-nitrophenyl)prop-2-en-1-one	155814232	NSC798973; NSC-798973	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798973	.	.	.	.	427.4	C22H15F2NO4S	99.2	657	4.6	30	0	7	6	"InChI=1S/C22H15F2NO4S/c23-18-7-1-16(2-8-18)14-30(29)21(22(26)17-5-9-19(24)10-6-17)13-15-3-11-20(12-4-15)25(27)28/h1-13H,14H2/b21-13+"	C1=CC(=CC=C1CS(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)C3=CC=C(C=C3)F)F	ZGSPGJXWHCXPSU-FYJGNVAPSA-N
DG69877	NSC801832	155814253	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[[4-[[2-(2-iodoethyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]methyl]phenyl]methyl]carbamate; NSC801832; NSC-801832"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801832	.	.	.	.	681.5	C28H32IN3O7S	143	1080	3.7	40	1	8	9	"InChI=1S/C28H32IN3O7S/c1-17-21-10-9-20(4-3-11-28(2)23(39-28)22(21)38-24(17)33)16-37-25(34)30-14-18-5-7-19(8-6-18)15-31-26(35)32(13-12-29)40-27(31)36/h4-8,21-23H,1,3,9-16H2,2H3,(H,30,34)/b20-4+/t21-,22-,23-,28+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCC4=CC=C(C=C4)CN5C(=O)N(SC5=O)CCI	JQEGIOJNESOCIR-FTKJOGDLSA-N
DG69878	NSC801838	155814255	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl (E)-4-[[4-[(3,5-dioxo-2-phenyl-1,2,4-thiadiazolidin-4-yl)methyl]phenyl]methylamino]-4-oxobut-2-enoate; NSC801838; NSC-801838"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801838	.	.	.	.	657.7	C35H35N3O8S	160	1330	3.8	47	1	9	10	"InChI=1S/C35H35N3O8S/c1-22-27-15-14-25(7-6-18-35(2)31(46-35)30(27)45-32(22)41)21-44-29(40)17-16-28(39)36-19-23-10-12-24(13-11-23)20-37-33(42)38(47-34(37)43)26-8-4-3-5-9-26/h3-5,7-13,16-17,27,30-31H,1,6,14-15,18-21H2,2H3,(H,36,39)/b17-16+,25-7+/t27-,30-,31-,35+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)/C=C/C(=O)NCC4=CC=C(C=C4)CN5C(=O)N(SC5=O)C6=CC=CC=C6	JXUZLUGWIJYUSL-ITKYZODHSA-N
DG69879	NSC799729	155814289	"(1S,2R,4S,5R,8R,10S,13R,14R,17S,18R,20S)-10-[(2S,3R,4S,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde; 23643-61-0; NSC799729; NSC-799729"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799729	.	.	.	.	1061.2	C52H84O22	343	2020	-1.1	74	12	22	11	"InChI=1S/C52H84O22/c1-46(2)27-7-11-49(5)28(8-12-52-29-15-47(3,21-55)13-14-51(29,22-68-52)30(57)16-50(49,52)6)48(27,4)10-9-31(46)72-44-40(74-43-39(65)36(62)33(59)24(17-53)69-43)35(61)26(20-67-44)71-45-41(37(63)34(60)25(18-54)70-45)73-42-38(64)32(58)23(56)19-66-42/h21,23-45,53-54,56-65H,7-20,22H2,1-6H3/t23-,24-,25-,26-,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,47+,48+,49-,50+,51-,52+/m1/s1"	C[C@@]1(CC[C@@]23CO[C@]4([C@@H]2C1)CC[C@@H]5[C@]6(CC[C@@H](C([C@@H]6CC[C@]5([C@@]4(C[C@H]3O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C=O	JXTOWLUQSHIIDP-VLACWOJQSA-N
DG69880	"4-bromo-N-[3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl]benzamide"	155814349	NSC798138; NSC-798138	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798138	.	.	.	.	512.299	C25H22BrNO6	83.1	684	4.3	33	1	6	6	"InChI=1S/C25H22BrNO6/c1-30-21-13-20-22(24(32-3)23(21)31-2)18(28)12-19(33-20)15-5-4-6-17(11-15)27-25(29)14-7-9-16(26)10-8-14/h4-11,13,19H,12H2,1-3H3,(H,27,29)"	COC1=C(C(=C2C(=O)CC(OC2=C1)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)Br)OC)OC	UNJAMRWNCMWMCG-UHFFFAOYSA-N
DG69881	"(8E)-2-methyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-4,5,6,7-tetrahydro-1H-quinazoline"	155814376	NSC765429; NSC-765429	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765429	.	.	.	.	494.6	C28H34N2O6	79.8	814	3.4	36	1	7	8	"InChI=1S/C28H34N2O6/c1-16-29-25-18(11-17-12-21(31-2)27(35-6)22(13-17)32-3)9-8-10-20(25)26(30-16)19-14-23(33-4)28(36-7)24(15-19)34-5/h11-15,26H,8-10H2,1-7H3,(H,29,30)/b18-11+"	CC1=NC(C2=C(N1)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/CCC2)C4=CC(=C(C(=C4)OC)OC)OC	OOYHOXCOJZNFPY-WOJGMQOQSA-N
DG69882	NSC761906	155814407	"[(E)-[(3S)-3-acetyloxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]amino] 4-[bis(2-chloroethyl)amino]benzoate; NSC761906; NSC-761906"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761906	.	.	.	.	589.6	C32H42Cl2N2O4	68.2	1000	7.1	40	0	6	10	"InChI=1S/C32H42Cl2N2O4/c1-21(37)39-25-12-14-31(2)23(20-25)6-9-26-27-10-11-29(32(27,3)15-13-28(26)31)35-40-30(38)22-4-7-24(8-5-22)36(18-16-33)19-17-34/h4-8,25-28H,9-20H2,1-3H3/b35-29+/t25-,26 ,27 ,28 ,31 ,32 /m0/s1"	CC(=O)O[C@H]1CCC2(C3CCC\\4(C(C3CC=C2C1)CC/C4=N\\OC(=O)C5=CC=C(C=C5)N(CCCl)CCCl)C)C	YQVHDFBTVBMKKA-HVESJLOWSA-N
DG69883	"(13S,15S)-9-bromo-15-(2-chlorophenyl)-16-oxa-1-azatetracyclo[11.2.1.02,11.03,8]hexadeca-2(11),3,5,7,9-pentaene"	155814437	NSC755040; NSC-755040	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755040	.	.	.	.	400.7	C20H15BrClNO	12.5	477	6.4	24	0	2	1	"InChI=1S/C20H15BrClNO/c21-17-10-12-9-13-11-19(16-7-3-4-8-18(16)22)23(24-13)20(12)15-6-2-1-5-14(15)17/h1-8,10,13,19H,9,11H2/t13-,19-/m0/s1"	C1[C@@H]2CC3=C(C4=CC=CC=C4C(=C3)Br)N([C@@H]1C5=CC=CC=C5Cl)O2	OAYDPJZXYZUTKH-DJJJIMSYSA-N
DG69884	"5-Methoxy-1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one"	155814451	NSC754595; NSC-754595	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754595	.	.	.	.	265.27	C15H11N3O2	56.2	403	1.8	20	1	3	1	"InChI=1S/C15H11N3O2/c1-20-9-4-5-13-11(7-9)17-15(19)14-10-3-2-6-16-12(10)8-18(13)14/h2-8H,1H3,(H,17,19)"	COC1=CC2=C(C=C1)N3C=C4C(=C3C(=O)N2)C=CC=N4	FVIYLCXRDUAREO-UHFFFAOYSA-N
DG69885	"13,14-Dimethyl-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one"	155814457	NSC760292; NSC-760292	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760292	.	.	.	.	263.29	C16H13N3O	46.9	413	2.8	20	1	2	0	"InChI=1S/C16H13N3O/c1-9-6-11-8-19-13-4-3-5-17-15(13)18-16(20)14(19)12(11)7-10(9)2/h3-8H,1-2H3,(H,17,18,20)"	CC1=CC2=CN3C4=C(NC(=O)C3=C2C=C1C)N=CC=C4	NGFNZUWZYSKYTF-UHFFFAOYSA-N
DG69886	"N-(2,4-dimethylphenyl)-3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide"	155814474	NSC757926; NSC-757926	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757926	.	.	.	.	511.6	C30H29N3O5	106	822	6.1	38	3	6	7	"InChI=1S/C30H29N3O5/c1-19-5-12-25(20(2)15-19)31-30(36)33-24(11-7-22-9-14-27(35)29(17-22)38-4)18-23(32-33)10-6-21-8-13-26(34)28(16-21)37-3/h5-18,34-35H,1-4H3,(H,31,36)/b10-6+,11-7+"	CC1=CC(=C(C=C1)NC(=O)N2C(=CC(=N2)/C=C/C3=CC(=C(C=C3)O)OC)/C=C/C4=CC(=C(C=C4)O)OC)C	HBLMAHQPUHUQJR-JMQWPVDRSA-N
DG69887	"6-chloro-3-[(Z)-[1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol"	155814526	NSC761849; NSC-761849	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761849	.	.	.	.	512	C29H22ClN3O4	88.4	982	5.6	37	2	6	5	"InChI=1S/C29H22ClN3O4/c1-35-24-10-15(11-25(36-2)28(24)37-3)26-27-20(18-6-4-5-7-22(18)32-27)13-17(31-26)14-21-19-9-8-16(30)12-23(19)33-29(21)34/h4-14,33-34H,1-3H3/b17-14-"	COC1=CC(=CC(=C1OC)OC)C2=N/C(=C\\C3=C(NC4=C3C=CC(=C4)Cl)O)/C=C5C2=NC6=CC=CC=C65	CUGGIQLCNWLSAZ-VKAVYKQESA-N
DG69888	"(3E)-5-chloro-3-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one"	155814528	NSC765820; NSC-765820	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765820	.	.	.	.	392.9	C20H13ClN4OS	87.5	625	4.5	27	1	4	2	"InChI=1S/C20H13ClN4OS/c1-11-24-25-17(18(23-20(25)27-11)12-5-3-2-4-6-12)10-15-14-9-13(21)7-8-16(14)22-19(15)26/h2-10H,1H3,(H,22,26)/b15-10+"	CC1=NN2C(=C(N=C2S1)C3=CC=CC=C3)/C=C/4\\C5=C(C=CC(=C5)Cl)NC4=O	YCAUCMRZOWDLGR-XNTDXEJSSA-N
DG69889	3-[(Z)-[2-[4-(trifluoromethyl)phenyl]benzimidazol-5-ylidene]methyl]-1H-indol-2-ol	155814532	NSC763621; NSC-763621	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763621	.	.	.	.	405.4	C23H14F3N3O	60.7	846	5.1	30	2	5	2	"InChI=1S/C23H14F3N3O/c24-23(25,26)15-8-6-14(7-9-15)21-27-19-10-5-13(12-20(19)28-21)11-17-16-3-1-2-4-18(16)29-22(17)30/h1-12,29-30H/b13-11-"	C1=CC=C2C(=C1)C(=C(N2)O)/C=C\\3/C=CC4=NC(=NC4=C3)C5=CC=C(C=C5)C(F)(F)F	JRIQRUWZYJIVOI-QBFSEMIESA-N
DG69890	"5-methoxy-3-[(Z)-[1-(4-methoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol"	155814535	NSC761840; NSC-761840	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761840	.	.	.	.	447.5	C28H21N3O3	79.2	901	5	34	2	5	4	"InChI=1S/C28H21N3O3/c1-33-18-9-7-16(8-10-18)26-27-22(20-5-3-4-6-24(20)30-27)13-17(29-26)14-23-21-15-19(34-2)11-12-25(21)31-28(23)32/h3-15,31-32H,1-2H3/b17-14-"	COC1=CC=C(C=C1)C2=N/C(=C\\C3=C(NC4=C3C=C(C=C4)OC)O)/C=C5C2=NC6=CC=CC=C65	GODPAVAAQBJPLE-VKAVYKQESA-N
DG69891	2-[1-(4-methylphenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide	155814544	NSC758357; NSC-758357	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758357	.	.	.	.	419.5	C22H17N3O4S	107	736	3.2	30	1	5	5	"InChI=1S/C22H17N3O4S/c1-15-6-8-17(9-7-15)30(28,29)25-14-19(18-4-2-3-5-20(18)25)21(26)22(27)24-16-10-12-23-13-11-16/h2-14H,1H3,(H,23,24,27)"	CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(=O)C(=O)NC4=CC=NC=C4	DSQJLXLABSFRDQ-UHFFFAOYSA-N
DG69892	2-[1-(4-bromophenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide	155814546	NSC758381; NSC-758381	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758381	.	.	.	.	484.3	C21H14BrN3O4S	107	742	3.6	30	1	5	5	"InChI=1S/C21H14BrN3O4S/c22-14-5-7-16(8-6-14)30(28,29)25-13-18(17-3-1-2-4-19(17)25)20(26)21(27)24-15-9-11-23-12-10-15/h1-13H,(H,23,24,27)"	C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)C(=O)NC4=CC=NC=C4	HMHBJLKKSXBBQL-UHFFFAOYSA-N
DG69893	"2-(3-Chloro-4-fluorophenyl)-5-[3-(3,4,5-trimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1,3,4-oxadiazole"	155814549	NSC763639; NSC-763639	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763639	.	.	.	.	480.9	C24H18ClFN4O4	83.9	669	5.3	34	0	8	6	"InChI=1S/C24H18ClFN4O4/c1-31-18-11-14(12-19(32-2)21(18)33-3)22-27-20(17-6-4-5-9-30(17)22)24-29-28-23(34-24)13-7-8-16(26)15(25)10-13/h4-12H,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2=NC(=C3N2C=CC=C3)C4=NN=C(O4)C5=CC(=C(C=C5)F)Cl	WARMZWHBBWRZTA-UHFFFAOYSA-N
DG69894	2-[1-(3-chlorophenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide	155814551	NSC755295; NSC-755295	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755295	.	.	.	.	439.9	C21H14ClN3O4S	107	750	3.5	30	1	5	5	"InChI=1S/C21H14ClN3O4S/c22-14-4-3-5-16(12-14)30(28,29)25-13-18(17-6-1-2-7-19(17)25)20(26)21(27)24-15-8-10-23-11-9-15/h1-13H,(H,23,24,27)"	C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC(=CC=C3)Cl)C(=O)C(=O)NC4=CC=NC=C4	SURWQNOIRJCQCU-UHFFFAOYSA-N
DG69895	2-[1-(3-fluorophenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide	155814561	NSC763595; NSC-763595	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763595	.	.	.	.	423.4	C21H14FN3O4S	107	750	3	30	1	6	5	"InChI=1S/C21H14FN3O4S/c22-14-4-3-5-16(12-14)30(28,29)25-13-18(17-6-1-2-7-19(17)25)20(26)21(27)24-15-8-10-23-11-9-15/h1-13H,(H,23,24,27)"	C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=CC(=C3)F)C(=O)C(=O)NC4=CC=NC=C4	FDWUAWNMERTXET-UHFFFAOYSA-N
DG69896	(2Z)-5-bromo-2-[(5-nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one	155814613	NSC772287; NSC-772287	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772287	.	.	.	.	352.16	C13H6BrNO4S	100	464	4.2	20	0	5	1	InChI=1S/C13H6BrNO4S/c14-7-1-3-10-9(5-7)13(16)11(19-10)6-8-2-4-12(20-8)15(17)18/h1-6H/b11-6-	C1=CC2=C(C=C1Br)C(=O)/C(=C/C3=CC=C(S3)[N+](=O)[O-])/O2	ADNMHZKFYBUXDA-WDZFZDKYSA-N
DG69897	"(E)-N-[(3E)-3-[(1-methylpyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide"	155814645	NSC773177; NSC-773177	.	.	Investigative Drug(s)	Investigative	Small molecular drug	773177	.	.	.	.	459.5	C26H25N3O5	90.8	785	2.8	34	2	5	7	"InChI=1S/C26H25N3O5/c1-29-11-5-6-18(29)15-20-19-14-17(8-9-21(19)28-26(20)31)27-24(30)10-7-16-12-22(32-2)25(34-4)23(13-16)33-3/h5-15H,1-4H3,(H,27,30)(H,28,31)/b10-7+,20-15+"	CN1C=CC=C1/C=C/2\\C3=C(C=CC(=C3)NC(=O)/C=C/C4=CC(=C(C(=C4)OC)OC)OC)NC2=O	NMPWPOIOHHXNIW-BFTAXVNQSA-N
DG69898	"3,7-dimethyl-5-(3,4,5-trimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine"	155814673	NSC775723; NSC-775723	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775723	.	.	.	.	332.4	C17H20N2O3S	68.6	532	2.9	23	0	5	4	"InChI=1S/C17H20N2O3S/c1-10-6-13(19-11(2)9-23-17(19)18-10)12-7-14(20-3)16(22-5)15(8-12)21-4/h6-9,13H,1-5H3"	CC1=CC(N2C(=CSC2=N1)C)C3=CC(=C(C(=C3)OC)OC)OC	SCMPNZVEVJBADX-UHFFFAOYSA-N
DG69899	Dipyridamole	3108	"dipyridamole; 58-32-2; Dipyridamol; Persantin; Dipyridamine; Dipyudamine; Persantine; Curantyl; Stimolcardio; Cardoxin; Kurantil; Stenocardil; Cardioflux; Dipiridamol; Dipyridan; Peridamol; Anginal; Apricor; Coribon; Corosan; Coroxin; Stenocardiol; Agilease; Chilcolan; Justpertin; Permiltin; Piroan; Cleridium 150; Coronarine; Gulliostin; Prandiol; Natyl; Prandiol 75; Usaf Ge-12; Dypyridamol; Dipyridamolum; Dypyridamole; 2,2',2'',2'''-((4,8-Di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diyl)bis(azanetriyl))tetraethanol; RA 8; RA-8; NSC-515776; Dipyridamole (Persantine); C24H40N8O4; UNII-64ALC7F90C; NSC 515776; MLS000028420; 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol; Cleridium; 2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol; CHEMBL932; 2,6-Bis(diethanolamino)-4,8-dipiperidinopyrimido(5,4-d)pyrimidine; Iv Persantine; SMR000058382; 64ALC7F90C; CHEBI:4653; Cardoxil; Pyrimido(5,4-d)pyrimidine, 2,6-bis(bis(2-hydroxyethyl)amino)-4,8-dipiperidino-; MFCD00010555; NSC515776; Ethanol, 2,2',2'',2'''-[(4,8-di-1-piperidinylpyrimido[5,4-d]pyrimidine-2,6-diyl)dinitrilo]tetrakis-; CAS-58-32-2; NCGC00015385-12; Coridil; Protangix; 2,6-Bis(diethanolamino)-4,8-dipiperidinopyrimido[5,4-d]pyrimidine; DSSTox_CID_20668; DSSTox_RID_79531; DSSTox_GSID_40668; 2,2',2'',2'''-((4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diyl)bis(azanetriyl))tetrakis(ethan-1-ol); 2,2',2'',2'''-{[4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diyl]dinitrilo}tetraethanol; Ethanol, 2,2',2'',2'''-((4,8-di-1-piperidinylpyrimido(5,4-d)pyrimidine-2,6-diyl)dinitrilo)tetrakis-; Dipiridamol [INN-Spanish]; Dipyridamolum [INN-Latin]; Permole; Persantine (TN); (3E)-3-[[(1S,4aS,8aS)-Decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methylene]dihydro-5-methoxy-2(3H)3-[(1E)-2-[(1S,4aS,8aS)-Decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethenyl]furan; (+)-Coronarin E-furanone; Coronarin D methyl ethe; 2,2',2'',2'''-((4,8-Di(piperidin-1-yl)pyrimido[5,4-d]-pyrimidine-2,6-diyl)bis(azanetriyl))tetraethanol; SR-01000003065; EINECS 200-374-7; BRN 0068373; Dipridacot; Prestwick_145; Dipyridamole [USAN:USP:INN:BAN:JAN]; Spectrum_001004; Tocris-0691; Opera_ID_494; Prestwick0_000142; Prestwick1_000142; Prestwick2_000142; Prestwick3_000142; Spectrum2_000972; Spectrum3_000402; Spectrum4_000522; Spectrum5_000839; Lopac-D-9766; UPCMLD-DP072; D 9766; cid_3108; 2,2',2'',2'''-((4,8-Dipiperidinopyrimido(5,4-d)pyrimidine-2,6-diyl)dinitrilo)tetraethanol; Lopac0_000464; SCHEMBL16119; BSPBio_000244; BSPBio_001554; BSPBio_001924; KBioGR_001123; KBioSS_001484; 4-26-00-03840 (Beilstein Handbook Reference); MLS001076306; MLS001333724; MLS002548866; DivK1c_000696; SPECTRUM1500259; SPBio_001003; SPBio_002183; BPBio1_000270; GTPL4807; DTXSID6040668; Thymidine,6-dihydro-6-methoxy-; UPCMLD-DP072:001; BDBM23620; Dipyridamole (JP17/USP/INN); HMS502C18; IZEKFCXSFNUWAM-UHFFFAOYSA-; KBio1_000696; KBio2_001484; KBio2_004052; KBio2_006620; KBio3_001144; B01AC07; NINDS_000696; BCPP000256; HMS1568M06; HMS1791N16; HMS1920I10; HMS1989N16; HMS2089N15; HMS2091O18; HMS2095M06; HMS2232E19; HMS3259C03; HMS3261M10; HMS3266J17; HMS3371J03; HMS3402N16; HMS3411B03; HMS3655I20; HMS3675B03; HMS3712M06; HMS3742O03; HMS3867F13; Pharmakon1600-01500259; ZINC643046; AMY40468; BCP26947; HY-B0312; Tox21_110133; Tox21_500464; 2,6-Bis(diethanolamine)-4,8-dipiperidinopyrimido[5,4-d]pyrimidine; BBL027781; CCG-40190; NSC756743; s1895; STL377790; AKOS000509426; Tox21_110133_1; BCP9000613; DB00975; Dipyridamole, >=98% (TLC), powder; HS-0041; LP00464; MCULE-3112669573; NC00448; NSC-619103; NSC-756743; SDCCGSBI-0050449.P005; IDI1_000696; SMP2_000208; NCGC00015385-01; NCGC00015385-02; NCGC00015385-03; NCGC00015385-04; NCGC00015385-05; NCGC00015385-06; NCGC00015385-07; NCGC00015385-08; NCGC00015385-09; NCGC00015385-10; NCGC00015385-11; NCGC00015385-13; NCGC00015385-14; NCGC00015385-15; NCGC00015385-16; NCGC00015385-18; NCGC00015385-29; NCGC00023914-02; NCGC00023914-04; NCGC00023914-05; NCGC00023914-06; NCGC00023914-07; NCGC00023914-08; NCGC00023914-09; NCGC00023914-10; NCGC00023914-11; NCGC00261149-01; 2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)-[1,3]diazino[5,4-d]pyrimidin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol; 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(1-piperidyl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol; AC-18100; AC-30804; Ethanol, 2,2',2'',2'''-((4,8-dipiperidinopyrimido(5,4-d)pyrimidine-2,6-diyl)dinitrilo)tetra-; Ethanol,2,2',2'',2'''-[(4,8-di-1-piperidinylpyrimido[5,4-d]pyrimidine-2,6-diyl)dinitrilo]tetrakis-; H843; NCI60_005689; SBI-0050449.P004; 2,8-dipiperidinopyrimido[5,4-d]pyrimidine; AB00051974; B1933; EU-0100464; FT-0603242; SW196456-3; W1467; EN300-70723; BIM-0050449.0001; D00302; J10379; O10551; AB00051974-18; AB00051974-19; AB00051974_20; AB00051974_21; A828156; A831828; Q419374; SR-01000003065-2; SR-01000003065-4; SR-01000003065-5; SR-01000003065-7; W-105400; BRD-K86301799-001-04-1; BRD-K86301799-001-19-9; BRD-K86301799-001-24-9; Z1259192074; Dipyridamole, British Pharmacopoeia (BP) Reference Standard; Dipyridamole, European Pharmacopoeia (EP) Reference Standard; 2,6-Bis(diethanolamino)-4,8-dipiperidinopyrimido-[5,4-d]pyrimidin; Dipyridamole, United States Pharmacopeia (USP) Reference Standard; Pyrimido(5, 2,6-bis[bis(2-hydroxyethyl)amino]-4,8-diperidino-; 2,2'',2'''-[4,8-Dipiperidinopyrimido[5,4-d]pyrimidine-2,6-diyl]dinitrilotetraethanol; 2,2',2'',2'''-(4,8-Dipiperidinopyrimido(5,4-d)pyrimidine-2,6-diyl)dinitrilotetraethanol; 2-[[2-(bis(2-hydroxyethyl)amino)-4,8-di(piperidin-1-yl)pyrimido[6,5-e]pyrimidin-; Dipyridamole for peak identification, European Pharmacopoeia (EP) Reference Standard; Ethanol,2',2'',2'''-(4,8-dipiperidinopyrimido[5,4-d]pyrimidine-2,6-diyldinitrilo)tetra-; WLN: T66 BN DN GN INJ CCN HCN E- AT6NTJ B2Q F2Q& J- AT6NTJ B2Q F2Q; 2,2',2'',2'''-(4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diyl)bis(azanetriyl)tetraethanol; 2,2',2'',2'''-[(4,8-dipiperidin-1-ylpyrimido[5,4-d]pyrimidine-2,6-diyl)dinitrilo]tetraethanol; 2,2',2'',2'''-[(4,8-Dipiperidinylpyrimido[5,4-d]pyrimidine-2,6-diyl)dinitrilo]tetraethanol; 2,2',2'',2'''-[(4,8-Dipiperidinylpyrimido[5,4-d]pyrimidine-2,6-diyl)dinitrilo]tetrakisethanol; 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(1-piperidinyl)-6-pyrimido[5,4-d]pyrimidinyl]-(2-hydroxyethyl)amino]ethanol; Ethanol, 2,2',2'',2'''-(4,8-dipiperidinopyrimido(5,4-d)pyrimidine-2,6-diyldinitrilo)tetra-; Ethanol, 2,2',2',2'''-((4,8-di-1-iperidinylpyrimido(5,4-d)pyrimidine-2,6-diyl)dinitrilo)tetrakis-; Ethanol,2',2'',2'''-[(4,8-di-1-piperidinylpyrimido[5,4-d]pyrimidine-2,6-diyl)dinitrilo]tetrakis-; Ethanol,2',2'',2'''-[(4,8-dipiperidinopyrimido[5,4-d]pyrimidine-2,6-diyl)dinitrilo]tetra-; H9F"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	351594	.	.	.	.	504.6	C24H40N8O4	145	561	0.7	36	4	12	12	"InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2"	C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO	IZEKFCXSFNUWAM-UHFFFAOYSA-N
DG69900	NSC682342	6712418	"[(1R,3R,4S,6S,8S,9S,10S,12R,13S,14R,15R)-1,8,9,12,14,15-hexaacetyloxy-3,7,7,15-tetramethyl-11-methylidene-2-oxo-5-oxatricyclo[11.3.0.04,6]hexadecan-10-yl] 2-methylpropanoate; Eup-1; NCI60_029450; CHEMBL1978293; NSC-682342; (1R,2R,3aR,5R,6S,7S,9S,10S,11S,13R)-2,3,3a,6,7,8,9,10,11,12,13,13aalpha-Dodecahydro-6,7-epoxy-1,2alpha,3abeta,9,10,13-hexaacetoxy-2,5,8,8-tetramethyl-12-methylene-11-(isobutyryloxy)-1H-cyclopentacyclododecene-4(5H)-one; Propanoic acid, 3,4,7,8,9,10a-hexakis(acetyloxy) tetradecahydro-2,2,9,12-tetramethyl-6-methylene-11-oxo-2H- cyclopenta[5,6]cyclododec[1,2-b]oxiren-5-yl ester, [1aS-(1aR*,3R*,4R*,5R*,7S*,7aR*,8S*,10aS*,12S*,12aR*)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	682342	.	.	.	.	738.8	C36H50O16	214	1510	2.4	52	0	16	15	"InChI=1S/C36H50O16/c1-15(2)33(44)50-26-16(3)25(45-18(5)37)24-30(47-20(7)39)35(13,51-22(9)41)14-36(24,52-23(10)42)29(43)17(4)27-31(49-27)34(11,12)32(48-21(8)40)28(26)46-19(6)38/h15,17,24-28,30-32H,3,14H2,1-2,4-13H3/t17-,24+,25+,26+,27+,28-,30-,31-,32-,35-,36-/m1/s1"	C[C@@H]1[C@H]2[C@@H](O2)C([C@@H]([C@@H]([C@H](C(=C)[C@@H]([C@H]3[C@H]([C@](C[C@@]3(C1=O)OC(=O)C)(C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C(C)C)OC(=O)C)OC(=O)C)(C)C	QLMXVPKQTUZUIB-WXRBLWNSSA-N
DG69901	Antineoplastic-353527	135502336	"ANTINEOPLASTIC-353527; Tin(IV), hydrogen, triethylamine; NSC-353527"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353527	.	.	.	.	709	C34H58ClN4O2Sn-	54.9	496	.	42	1	8	6	"InChI=1S/C10H10N3O2.C6H15N.3C6H11.ClH.Sn/c1-2-15-9-5-3-8(4-6-9)13-10(14)12-7-11;1-4-7(5-2)6-3;3*1-2-4-6-5-3-1;;/h3-6H,2H2,1H3,(H,13,14);4-6H2,1-3H3;3*1H,2-6H2;1H;/q-1;;3*-1;;+4/p-1"	CCN(CC)CC.CCOC1=CC=C(C=C1)NC(=O)N=C=[N-].C1CC[CH-]CC1.C1CC[CH-]CC1.C1CC[CH-]CC1.[Cl-].[Sn+4]	PGFSDGCUKKYRAQ-UHFFFAOYSA-M
DG69902	"(E)-1-(3,4-dimethoxyphenyl)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]prop-2-en-1-one"	155814704	NSC777185; NSC-777185	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777185	.	.	.	.	492.5	C28H28O8	89.5	725	4.9	36	0	8	11	"InChI=1S/C28H28O8/c1-31-22-11-9-19(27(30)20-15-25(34-4)28(36-6)26(16-20)35-5)13-18(22)7-10-21(29)17-8-12-23(32-2)24(14-17)33-3/h7-16H,1-6H3/b10-7+"	COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)/C=C/C(=O)C3=CC(=C(C=C3)OC)OC	GKLQIKPSQTZDNO-JXMROGBWSA-N
DG69903	"7-Ethyl-10,11-methylenedioxy-20(S)-camptothecin-20-glycinate ester hydrochloride"	155814754	"NSC676194; NSC-676194; 7-Ethyl-10,11-methylenedioxy-20(S)-camptothecin-20-glycinate ester hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676194	.	.	.	.	477.5	C25H23N3O7	130	1020	1.3	35	1	9	5	"InChI=1S/C25H23N3O7/c1-3-12-13-5-19-20(34-11-33-19)7-17(13)27-22-14(12)9-28-18(22)6-16-15(23(28)30)10-32-24(31)25(16,4-2)35-21(29)8-26/h5-7H,3-4,8-11,26H2,1-2H3/t25-/m0/s1"	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)OC(=O)CN)C2=NC5=CC6=C(C=C51)OCO6	CTABHWFOOATDCN-VWLOTQADSA-N
DG69904	NSC767769	155814763	"2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]acetamide; NSC767769; NSC-767769"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767769	.	.	.	.	666.7	C36H34N4O7S	148	1030	6.1	48	1	10	14	"InChI=1S/C36H34N4O7S/c1-43-29-18-14-25(21-30(29)44-2)35-38-39-36(40(35)27-9-7-6-8-10-27)48-22-33(42)37-26-15-12-24(13-16-26)28(41)17-11-23-19-31(45-3)34(47-5)32(20-23)46-4/h6-21H,22H2,1-5H3,(H,37,42)/b17-11+"	COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C(=O)/C=C/C5=CC(=C(C(=C5)OC)OC)OC)OC	SWUMIYIRJYQMFX-GZTJUZNOSA-N
DG69905	"N-[(3-chlorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine"	155814799	NSC789210; NSC-789210	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789210	.	.	.	.	342.8	C19H19ClN2O2	43.4	398	4.9	24	1	4	5	"InChI=1S/C19H19ClN2O2/c1-12-16-10-18(24-3)17(23-2)8-14(16)9-19(22-12)21-11-13-5-4-6-15(20)7-13/h4-10H,11H2,1-3H3,(H,21,22)"	CC1=NC(=CC2=CC(=C(C=C12)OC)OC)NCC3=CC(=CC=C3)Cl	WZWGENJWVMDQMU-UHFFFAOYSA-N
DG69906	1-(Naphthalen-2-ylmethyl)-3-[12-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]dodecyl]imidazol-1-ium	155814813	CHEMBL4802991; NSC789766; NSC-789766	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789766	.	.	.	.	584.8	C40H48N4+2	17.6	723	10.3	44	0	0	17	"InChI=1S/C40H48N4/c1(3-5-7-13-23-41-25-27-43(33-41)31-35-19-21-37-15-9-11-17-39(37)29-35)2-4-6-8-14-24-42-26-28-44(34-42)32-36-20-22-38-16-10-12-18-40(38)30-36/h9-12,15-22,25-30,33-34H,1-8,13-14,23-24,31-32H2/q+2"	C1=CC=C2C=C(C=CC2=C1)C[N+]3=CN(C=C3)CCCCCCCCCCCCN4C=C[N+](=C4)CC5=CC6=CC=CC=C6C=C5	QVMPADBJEJCVPR-UHFFFAOYSA-N
DG69907	N-(5-acetyl-2-ethoxyphenyl)-3-(2-ethyltetrazol-5-yl)benzamide	155814815	NSC788105; NSC-788105	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788105	.	.	.	.	379.4	C20H21N5O3	99	546	2.9	28	1	6	7	"InChI=1S/C20H21N5O3/c1-4-25-23-19(22-24-25)15-7-6-8-16(11-15)20(27)21-17-12-14(13(3)26)9-10-18(17)28-5-2/h6-12H,4-5H2,1-3H3,(H,21,27)"	CCN1N=C(N=N1)C2=CC(=CC=C2)C(=O)NC3=C(C=CC(=C3)C(=O)C)OCC	JJDIXIAGKIHHRU-UHFFFAOYSA-N
DG69908	2-amino-4-(7-methyl-2-oxochromen-4-yl)-4H-benzo[g]chromene-3-carbonitrile	155814836	NSC794658; NSC-794658	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794658	.	.	.	.	380.4	C24H16N2O3	85.3	806	4.4	29	1	5	1	"InChI=1S/C24H16N2O3/c1-13-6-7-16-17(11-22(27)28-20(16)8-13)23-18-9-14-4-2-3-5-15(14)10-21(18)29-24(26)19(23)12-25/h2-11,23H,26H2,1H3"	CC1=CC2=C(C=C1)C(=CC(=O)O2)C3C4=CC5=CC=CC=C5C=C4OC(=C3C#N)N	SKEUMCXFAQOTRG-UHFFFAOYSA-N
DG69909	"4-(Benzimidazol-1-yl)-6,8,11-trimethyl-5,6-dihydropyrimido[4,5-b][1]benzazepine"	155814838	NSC786114; NSC-786114	.	.	Investigative Drug(s)	Investigative	Small molecular drug	786114	.	.	.	.	355.4	C22H21N5	46.8	527	4.7	27	0	4	1	"InChI=1S/C22H21N5/c1-14-8-9-19-16(10-14)15(2)11-17-21(26(19)3)23-12-24-22(17)27-13-25-18-6-4-5-7-20(18)27/h4-10,12-13,15H,11H2,1-3H3"	CC1CC2=C(N=CN=C2N(C3=C1C=C(C=C3)C)C)N4C=NC5=CC=CC=C54	DMGFYWZVQXIMLP-UHFFFAOYSA-N
DG69910	"11-(3,4,5-trimethoxyphenyl)-11,12-dihydro-5H-pyrido[3,2-c][1,7]phenanthrolin-6-one"	155814851	NSC782739; NSC-782739	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782739	.	.	.	.	415.4	C24H21N3O4	82.6	699	2.1	31	1	6	4	"InChI=1S/C24H21N3O4/c1-29-18-10-13(11-19(30-2)23(18)31-3)16-12-17-14(6-4-8-25-17)22-20(16)21-15(24(28)27-22)7-5-9-26-21/h4-11,16H,12H2,1-3H3,(H,27,28)"	COC1=CC(=CC(=C1OC)OC)C2CC3=C(C=CC=N3)C4=C2C5=C(C=CC=N5)C(=O)N4	JGSPCYXERWWIJM-UHFFFAOYSA-N
DG69911	NSC783219	155814863	2-[3-[[(2S)-2-[[2-[[2-[[(2S)-2-[3-[[2-[[(2S)-2-[3-[[(2R)-2-[[(2S)-2-[3-[[2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[1-[2-[[1-(2-acetamido-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-2-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]propanoyl]amino]-2-methylbutanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]ethyl N-[7-(diethylamino)-2-oxochromen-3-yl]carbamate; NSC783219; NSC-783219	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783219	.	.	.	.	2274.7	C112H176N24O26	682	5320	3.6	162	20	27	61	"InChI=1S/C112H176N24O26/c1-28-111(26,130-87(143)67(11)118-83(139)46-50-115-96(152)105(14,15)126-86(142)68(12)119-92(148)78-40-36-56-136(78)103(159)112(27,29-2)131-91(147)76(61-70-38-33-32-34-39-70)122-93(149)79-41-35-54-134(79)102(158)110(24,25)129-94(150)80-42-37-55-135(80)101(157)109(22,23)125-69(13)137)100(156)117-52-48-85(141)120-74(59-65(7)8)89(145)127-106(16,17)97(153)116-51-47-84(140)121-75(60-66(9)10)90(146)128-108(20,21)99(155)132-107(18,19)98(154)123-73(58-64(5)6)88(144)114-49-45-82(138)113-53-57-161-104(160)124-77-62-71-43-44-72(133(30-3)31-4)63-81(71)162-95(77)151/h32-34,38-39,43-44,62-68,73-76,78-80H,28-31,35-37,40-42,45-61H2,1-27H3,(H,113,138)(H,114,144)(H,115,152)(H,116,153)(H,117,156)(H,118,139)(H,119,148)(H,120,141)(H,121,140)(H,122,149)(H,123,154)(H,124,160)(H,125,137)(H,126,142)(H,127,145)(H,128,146)(H,129,150)(H,130,143)(H,131,147)(H,132,155)/t67-,68-,73-,74-,75-,76-,78-,79 ,80 ,111+,112+/m0/s1"	CC[C@](C)(C(=O)NCCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)NCCOC(=O)NC1=CC2=C(C=C(C=C2)N(CC)CC)OC1=O)NC(=O)[C@H](C)NC(=O)CCNC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@@](C)(CC)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)C5CCCN5C(=O)C(C)(C)NC(=O)C6CCCN6C(=O)C(C)(C)NC(=O)C	NNDWHWTXOMOPFE-SQOKJJRSSA-N
DG69912	"(2Z,4E)-2-(benzenesulfinyl)-5-phenylpenta-2,4-dienenitrile"	155814868	NSC782369; NSC-782369	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782369	.	.	.	.	279.4	C17H13NOS	60.1	431	3.7	20	0	3	4	"InChI=1S/C17H13NOS/c18-14-17(20(19)16-11-5-2-6-12-16)13-7-10-15-8-3-1-4-9-15/h1-13H/b10-7+,17-13-"	C1=CC=C(C=C1)/C=C/C=C(/C#N)\\S(=O)C2=CC=CC=C2	LKFCYVJDWGLXGU-DESBJYGPSA-N
DG69913	"3-[4-(Furan-2-yl)phenyl]-2-hydroxycyclohepta-2,4,6-trien-1-one"	155814878	NSC794225; NSC-794225	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794225	.	.	.	.	264.27	C17H12O3	50.4	465	3.4	20	1	3	2	"InChI=1S/C17H12O3/c18-15-5-2-1-4-14(17(15)19)12-7-9-13(10-8-12)16-6-3-11-20-16/h1-11H,(H,18,19)"	C1=CC(=C(C(=O)C=C1)O)C2=CC=C(C=C2)C3=CC=CO3	MQJZDDBEPDEJGY-UHFFFAOYSA-N
DG69914	"7-chloro-N-[4-[2-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]phenyl]quinolin-4-amine"	155814943	NSC790653; NSC-790653	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790653	.	.	.	.	584.1	C32H30ClN5O4	90.9	817	6	42	1	9	8	"InChI=1S/C32H30ClN5O4/c1-39-29-16-21(17-30(40-2)31(29)41-3)27-19-26(36-32(37-27)38-12-14-42-15-13-38)20-4-7-23(8-5-20)35-25-10-11-34-28-18-22(33)6-9-24(25)28/h4-11,16-19H,12-15H2,1-3H3,(H,34,35)"	COC1=CC(=CC(=C1OC)OC)C2=NC(=NC(=C2)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)N6CCOCC6	OQFXPWSMEIBFFE-UHFFFAOYSA-N
DG69915	"4-N-[(E)-(8-aminoquinolin-5-yl)methylideneamino]quinoline-4,8-diamine"	155814958	NSC790110; NSC-790110	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790110	.	.	.	.	328.4	C19H16N6	102	469	2.7	25	3	6	3	"InChI=1S/C19H16N6/c20-15-5-1-3-14-17(8-10-23-19(14)15)25-24-11-12-6-7-16(21)18-13(12)4-2-9-22-18/h1-11H,20-21H2,(H,23,25)/b24-11+"	C1=CC2=C(C=CN=C2C(=C1)N)N/N=C/C3=C4C=CC=NC4=C(C=C3)N	ZODAOKXAWHCPHW-BHGWPJFGSA-N
DG69916	"6-[3-(Dimethylamino)propyl]-3-piperazin-1-ylindeno[1,2-c]isoquinoline-5,11-dione"	155814995	NSC784743; NSC-784743	.	.	Investigative Drug(s)	Investigative	Small molecular drug	784743	.	.	.	.	416.5	C25H28N4O2	55.9	742	2.2	31	1	5	5	"InChI=1S/C25H28N4O2/c1-27(2)12-5-13-29-23-19-6-3-4-7-20(19)24(30)22(23)18-9-8-17(16-21(18)25(29)31)28-14-10-26-11-15-28/h3-4,6-9,16,26H,5,10-15H2,1-2H3"	CN(C)CCCN1C2=C(C3=C(C1=O)C=C(C=C3)N4CCNCC4)C(=O)C5=CC=CC=C52	SOHWZANFZFYRMK-UHFFFAOYSA-N
DG69917	"2-[5-methoxy-1-(2-methoxyethyl)indol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1,3-thiazole"	155815013	NSC783857; NSC-783857	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783857	.	.	.	.	404.5	C22H20N4O2S	93.2	555	3.5	29	1	5	6	"InChI=1S/C22H20N4O2S/c1-27-9-8-26-12-17(16-11-15(28-2)5-6-20(16)26)22-25-19(13-29-22)18-10-14-4-3-7-23-21(14)24-18/h3-7,10-13H,8-9H2,1-2H3,(H,23,24)"	COCCN1C=C(C2=C1C=CC(=C2)OC)C3=NC(=CS3)C4=CC5=C(N4)N=CC=C5	QVYRIXUKKQHBJC-UHFFFAOYSA-N
DG69918	"2-(3-ethyl-4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide"	155815030	NSC795489; NSC-795489	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795489	.	.	.	.	419.4	C23H21N3O5	113	766	4.8	31	2	6	5	"InChI=1S/C23H21N3O5/c1-4-14-12(2)15-9-10-18(13(3)21(15)31-23(14)29)30-11-19(27)25-26-20-16-7-5-6-8-17(16)24-22(20)28/h5-10,24,28H,4,11H2,1-3H3"	CCC1=C(C2=C(C(=C(C=C2)OCC(=O)N=NC3=C(NC4=CC=CC=C43)O)C)OC1=O)C	MHVHEFRPWOJOAG-UHFFFAOYSA-N
DG69919	NSC780454	155815035	"methyl (2S)-2-[(2R,3S)-3-[4-[4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5,10-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1H-anthracen-2-yl]-2-methoxyacetate; NSC780454; NSC-780454"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780454	.	.	.	.	1041.099	C50H72O23	327	1850	1.7	73	9	23	14	"InChI=1S/C50H72O23/c1-18-28(69-33-14-29(41(54)20(3)65-33)70-32-13-27(51)40(53)19(2)64-32)12-25-10-24-11-26(47(62-8)49(60)63-9)46(45(58)38(24)44(57)37(25)39(18)52)73-35-16-30(42(55)22(5)67-35)71-34-15-31(43(56)21(4)66-34)72-36-17-50(7,61)48(59)23(6)68-36/h10,12,19-23,26-27,29-36,40-43,46-48,51-57,59,61H,11,13-17H2,1-9H3/t19 ,20 ,21 ,22 ,23 ,26-,27 ,29 ,30 ,31 ,32 ,33 ,34 ,35 ,36 ,40 ,41 ,42 ,43 ,46+,47+,48 ,50 /m1/s1"	CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)OC)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O	SQAFSVRMMTVAFE-FEDLORSXSA-N
DG69920	5-[(4-Piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol	155815038	NSC782968; NSC-782968	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782968	.	.	.	.	325.4	C20H27N3O	39.6	390	3.3	24	1	4	3	"InChI=1S/C20H27N3O/c24-19-7-6-16(18-5-4-10-21-20(18)19)15-22-13-8-17(9-14-22)23-11-2-1-3-12-23/h4-7,10,17,24H,1-3,8-9,11-15H2"	C1CCN(CC1)C2CCN(CC2)CC3=C4C=CC=NC4=C(C=C3)O	ZBBMPAGCDSBVGS-UHFFFAOYSA-N
DG69921	"N-(1,3-benzothiazol-2-yl)-2-[3-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide"	155815055	NSC795935; NSC-795935	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795935	.	.	.	.	382.4	C19H15FN4O2S	103	609	2.9	27	1	6	4	"InChI=1S/C19H15FN4O2S/c20-13-7-5-12(6-8-13)14-9-10-18(26)24(23-14)11-17(25)22-19-21-15-3-1-2-4-16(15)27-19/h1-8H,9-11H2,(H,21,22,25)"	C1CC(=O)N(N=C1C2=CC=C(C=C2)F)CC(=O)NC3=NC4=CC=CC=C4S3	FWKCAZLDTPBHLK-UHFFFAOYSA-N
DG69922	NSC797585	155815072	"(E)-3-(2-fluorophenyl)-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]prop-2-enamide; NSC797585; NSC-797585"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797585	.	.	.	.	411.5	C24H26FNO4	67.9	775	3.3	30	1	5	4	"InChI=1S/C24H26FNO4/c1-15-18-11-9-16(6-5-13-24(2)22(30-24)21(18)29-23(15)28)14-26-20(27)12-10-17-7-3-4-8-19(17)25/h3-4,6-8,10,12,18,21-22H,1,5,9,11,13-14H2,2H3,(H,26,27)/b12-10+,16-6+/t18-,21-,22-,24+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CNC(=O)/C=C/C4=CC=CC=C4F	KKKXSMZIRCRDAF-SIGOGWIOSA-N
DG69923	NSC797908	155815078	"ethyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-[[(2R,4R)-4-hydroxy-1-methylpiperidine-2-carbonyl]amino]-3-methylbutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoate; SCHEMBL23552022; NSC797908; NSC-797908"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797908	.	.	.	.	758	C39H59N5O8S	196	1220	5.4	53	3	11	20	"InChI=1S/C39H59N5O8S/c1-10-51-39(50)25(6)18-28(19-27-14-12-11-13-15-27)40-35(47)30-22-53-37(41-30)33(52-26(7)45)21-31(23(2)3)44(9)38(49)34(24(4)5)42-36(48)32-20-29(46)16-17-43(32)8/h11-15,22-25,28-29,31-34,46H,10,16-21H2,1-9H3,(H,40,47)(H,42,48)/t25-,28+,29+,31+,32+,33+,34-/m0/s1"	CCOC(=O)[C@@H](C)C[C@H](CC1=CC=CC=C1)NC(=O)C2=CSC(=N2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]3C[C@@H](CCN3C)O)OC(=O)C	XXHGNNXHWZYAPM-DQJZIKQUSA-N
DG69924	NSC782203	155815081	5-[[8-Hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol; NSC782203; NSC-782203	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782203	.	.	.	.	666.9	C39H50N6O4	97.7	936	3.8	49	2	10	8	"InChI=1S/C39H50N6O4/c46-38-30(26-42-11-5-32(6-12-42)44-15-19-48-20-16-44)24-28(34-3-1-9-40-36(34)38)23-29-25-31(39(47)37-35(29)4-2-10-41-37)27-43-13-7-33(8-14-43)45-17-21-49-22-18-45/h1-4,9-10,24-25,32-33,46-47H,5-8,11-23,26-27H2"	C1CN(CCC1N2CCOCC2)CC3=C(C4=C(C=CC=N4)C(=C3)CC5=CC(=C(C6=C5C=CC=N6)O)CN7CCC(CC7)N8CCOCC8)O	VOBPUGIZLFJMNP-UHFFFAOYSA-N
DG69925	NSC788321	155815098	"6-[[2-(4-fluorophenyl)-2-bicyclo[2.2.1]heptanyl]-methylamino]-N-[(2R,3S,4R,6S)-3-hydroxy-2-methyl-6-[[(1R,3R)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]hexanamide; NSC788321; NSC-788321"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788321	.	.	.	.	858.9	C47H55FN2O12	212	1650	5.7	62	6	14	14	"InChI=1S/C47H55FN2O12/c1-24-41(54)31(49-35(53)10-5-4-6-17-50(2)47(20-25-11-12-27(47)18-25)26-13-15-28(48)16-14-26)19-36(61-24)62-33-22-46(59,34(52)23-51)21-30-38(33)45(58)40-39(43(30)56)42(55)29-8-7-9-32(60-3)37(29)44(40)57/h7-9,13-16,24-25,27,31,33,36,41,51,54,56,58-59H,4-6,10-12,17-23H2,1-3H3,(H,49,53)/t24-,25 ,27 ,31-,33-,36-,41-,46-,47 /m1/s1"	C[C@@H]1[C@H]([C@@H](C[C@H](O1)O[C@@H]2C[C@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)CCCCCN(C)C6(CC7CCC6C7)C8=CC=C(C=C8)F)O	LAPCOKUPBBCOMK-WXXOYHPGSA-N
DG69926	"2,2-dichloro-N-(2,2-dichloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide"	155815172	NSC797557; NSC-797557	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797557	.	.	.	.	537.2	C22H21Cl4NO6	82.1	676	5.7	33	0	6	8	"InChI=1S/C22H21Cl4NO6/c1-10-8-12(9-11(2)17(10)32-4)16(28)13-6-7-14(31-3)15(18(13)33-5)27(21(29)19(23)24)22(30)20(25)26/h6-9,19-20H,1-5H3"	CC1=CC(=CC(=C1OC)C)C(=O)C2=C(C(=C(C=C2)OC)N(C(=O)C(Cl)Cl)C(=O)C(Cl)Cl)OC	DASCYEOOVZMXDS-UHFFFAOYSA-N
DG69927	NSC790649	155815173	"4-[[(3R,4R,6R)-3-hydroxy-2-methyl-16,18-dioxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]oxy]-4-oxobutanoic acid; NSC790649; NSC-790649"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790649	.	.	.	.	553.5	C30H23N3O8	149	1180	2.4	41	3	8	5	"InChI=1S/C30H23N3O8/c1-30-27(37)17(40-20(36)11-10-19(34)35)12-18(41-30)32-15-8-4-2-6-13(15)21-23-24(29(39)31-28(23)38)22-14-7-3-5-9-16(14)33(30)26(22)25(21)32/h2-9,17-18,27,37H,10-12H2,1H3,(H,34,35)(H,31,38,39)/t17-,18-,27-,30 /m1/s1"	CC12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(=O)NC6=O)OC(=O)CCC(=O)O)O	FTXDUBGTSHBHQN-QDHRRFRGSA-N
DG69928	2-[[3-(Naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]methyl]quinoline	155815196	NSC788915; NSC793142; NSC-788915; NSC-793142	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788915	.	.	.	.	350.4	C24H20N3+	21.7	480	4.9	27	0	1	4	"InChI=1S/C24H20N3/c1-2-7-22-15-19(9-10-20(22)5-1)16-26-13-14-27(18-26)17-23-12-11-21-6-3-4-8-24(21)25-23/h1-15,18H,16-17H2/q+1"	C1=CC=C2C=C(C=CC2=C1)C[N+]3=CN(C=C3)CC4=NC5=CC=CC=C5C=C4	FLFBEMUWQLCOOU-UHFFFAOYSA-N
DG69929	"7-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-6-methoxy-2-[(Z)-pyrazolo[3,4-b]pyridin-3-ylidenemethyl]-1-benzofuran-3-ol"	155815220	NSC787772; NSC-787772	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787772	.	.	.	.	408.4	C22H21FN4O3	92.2	677	3.8	30	2	8	4	"InChI=1S/C22H21FN4O3/c1-29-18-5-4-14-20(28)19(10-17-13-3-2-7-25-22(13)27-26-17)30-21(14)15(18)9-12-6-8-24-11-16(12)23/h2-5,7,10,12,16,24,28H,6,8-9,11H2,1H3/b17-10-/t12-,16+/m0/s1"	COC1=C(C2=C(C=C1)C(=C(O2)/C=C\\3/C4=C(N=CC=C4)N=N3)O)C[C@@H]5CCNC[C@H]5F	DLVBJFSGRMMFDS-HFHAMQQBSA-N
DG69930	"(E)-3-(3-amino-4-methoxyphenyl)-1-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	155815225	NSC795433; NSC-795433	.	.	Investigative Drug(s)	Investigative	Small molecular drug	795433	.	.	.	.	412.5	C23H28N2O5	83.2	578	3.1	30	1	6	7	"InChI=1S/C23H28N2O5/c1-27-19-8-7-15(12-18(19)24)11-17(23(26)25-9-5-6-10-25)16-13-20(28-2)22(30-4)21(14-16)29-3/h7-8,11-14H,5-6,9-10,24H2,1-4H3/b17-11+"	COC1=C(C=C(C=C1)/C=C(\\C2=CC(=C(C(=C2)OC)OC)OC)/C(=O)N3CCCC3)N	UTXZXWQBZBYKIN-GZTJUZNOSA-N
DG69931	"8-Methoxy-6,11-dimethyl-4-(2-methylbenzimidazol-1-yl)-5,6-dihydropyrimido[4,5-b][1]benzazepine"	155815228	NSC783651; NSC-783651	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783651	.	.	.	.	385.5	C23H23N5O	56.1	576	4.7	29	0	5	2	"InChI=1S/C23H23N5O/c1-14-11-18-22(27(3)20-10-9-16(29-4)12-17(14)20)24-13-25-23(18)28-15(2)26-19-7-5-6-8-21(19)28/h5-10,12-14H,11H2,1-4H3"	CC1CC2=C(N=CN=C2N(C3=C1C=C(C=C3)OC)C)N4C(=NC5=CC=CC=C54)C	JUTFHVMMSOMCKE-UHFFFAOYSA-N
DG69932	NSC780461	155815230	"tert-butyl (2S)-2-[[(2S)-2-[(2R,3S)-3-[4-[4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5,10-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1H-anthracen-2-yl]-2-methoxyacetyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate; NSC780461; NSC-780461"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780461	.	.	.	.	1345.5	C67H96N2O26	394	2490	4.3	95	11	26	25	"InChI=1S/C67H96N2O26/c1-30-42(90-47-25-43(55(73)32(3)86-47)91-46-24-41(70)54(72)31(2)85-46)23-38-21-37-22-39(61(83-11)63(79)69-40(64(80)95-66(7,8)9)19-15-16-20-68-65(81)84-29-36-17-13-12-14-18-36)60(59(77)52(37)58(76)51(38)53(30)71)94-49-27-44(56(74)34(5)88-49)92-48-26-45(57(75)33(4)87-48)93-50-28-67(10,82)62(78)35(6)89-50/h12-14,17-18,21,23,31-35,39-41,43-50,54-57,60-62,70-76,78,82H,15-16,19-20,22,24-29H2,1-11H3,(H,68,81)(H,69,79)/t31 ,32 ,33 ,34 ,35 ,39-,40+,41 ,43 ,44 ,45 ,46 ,47 ,48 ,49 ,50 ,54 ,55 ,56 ,57 ,60+,61+,62 ,67 /m1/s1"	CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)N[C@@H](CCCCNC(=O)OCC6=CC=CC=C6)C(=O)OC(C)(C)C)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)OC9CC(C(C(O9)C)O)(C)O)C(=C4C(=C3C)O)O)O)O	OBJLIHOUBNKOFL-NXRQRZPPSA-N
DG69933	NSC780459	155815239	"methyl (2S)-2-[[(2S)-2-[(2R,3S)-3-[4-[4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5,10-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1H-anthracen-2-yl]-2-methoxyacetyl]amino]-3-phenylpropanoate; NSC780459; NSC-780459"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780459	.	.	.	.	1188.3	C59H81NO24	356	2180	3	84	10	24	18	"InChI=1S/C59H81NO24/c1-24-36(80-41-20-37(49(64)26(3)76-41)81-40-19-35(61)48(63)25(2)75-40)18-32-16-31-17-33(55(73-8)57(70)60-34(58(71)74-9)15-30-13-11-10-12-14-30)54(53(68)46(31)52(67)45(32)47(24)62)84-43-22-38(50(65)28(5)78-43)82-42-21-39(51(66)27(4)77-42)83-44-23-59(7,72)56(69)29(6)79-44/h10-14,16,18,25-29,33-35,37-44,48-51,54-56,61-67,69,72H,15,17,19-23H2,1-9H3,(H,60,70)/t25 ,26 ,27 ,28 ,29 ,33-,34+,35 ,37 ,38 ,39 ,40 ,41 ,42 ,43 ,44 ,48 ,49 ,50 ,51 ,54+,55+,56 ,59 /m1/s1"	CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)OC)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)OC9CC(C(C(O9)C)O)(C)O)C(=C4C(=C3C)O)O)O)O	WHRHJGQUYQCUGP-GPWMUCFLSA-N
DG69934	"(3R)-4-(4-methylsulfanylphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one"	155815256	NSC788817; NSC-788817	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788817	.	.	.	.	435.5	C25H25NO4S	73.3	576	4.6	31	0	5	7	"InChI=1S/C25H25NO4S/c1-28-20-14-18(15-21(29-2)24(20)30-3)26-23(17-10-12-19(31-4)13-11-17)22(25(26)27)16-8-6-5-7-9-16/h5-15,22-23H,1-4H3/t22-,23 /m1/s1"	COC1=CC(=CC(=C1OC)OC)N2C([C@H](C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)SC	SPTYKJSYNPOTDC-WTQRLHSKSA-N
DG69935	"2-chloro-N-(4-methoxyphenyl)-N,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine"	155815283	NSC791202; NSC-791202	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791202	.	.	.	.	302.76	C15H15ClN4O	43.2	351	3.3	21	0	4	3	"InChI=1S/C15H15ClN4O/c1-19-9-8-12-13(19)14(18-15(16)17-12)20(2)10-4-6-11(21-3)7-5-10/h4-9H,1-3H3"	CN1C=CC2=C1C(=NC(=N2)Cl)N(C)C3=CC=C(C=C3)OC	DHGLPKCITJOLFP-UHFFFAOYSA-N
DG69936	"6-[3-(Dimethylamino)propoxy]-9-methylindeno[1,2-c]quinolin-11-one"	155815323	NSC781401; NSC-781401	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781401	.	.	.	.	346.4	C22H22N2O2	42.4	508	4.4	26	0	4	5	"InChI=1S/C22H22N2O2/c1-14-9-10-15-17(13-14)21(25)19-16-7-4-5-8-18(16)23-22(20(15)19)26-12-6-11-24(2)3/h4-5,7-10,13H,6,11-12H2,1-3H3"	CC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N=C3OCCCN(C)C	ZOCCYZQSRUSIEA-UHFFFAOYSA-N
DG69937	"4-(1,6,11-Trioxo-2,3,4,12-tetrahydrobenzo[b]xanthen-12-yl)benzenesulfonamide"	155815327	NSC789277; NSC-789277	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789277	.	.	.	.	435.5	C23H17NO6S	129	1010	1.9	31	1	7	2	"InChI=1S/C23H17NO6S/c24-31(28,29)13-10-8-12(9-11-13)18-19-16(25)6-3-7-17(19)30-23-20(18)21(26)14-4-1-2-5-15(14)22(23)27/h1-2,4-5,8-11,18H,3,6-7H2,(H2,24,28,29)"	C1CC2=C(C(C3=C(O2)C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)S(=O)(=O)N)C(=O)C1	YXJQXCGICBEGBL-UHFFFAOYSA-N
DG69938	NSC782185	155815332	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 2-(1H-indol-3-yl)-2-oxoacetate; NSC782185; NSC-782185"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782185	.	.	.	.	435.5	C25H25NO6	98	865	3.3	32	1	6	5	"InChI=1S/C25H25NO6/c1-14-16-10-9-15(6-5-11-25(2)22(32-25)21(16)31-23(14)28)13-30-24(29)20(27)18-12-26-19-8-4-3-7-17(18)19/h3-4,6-8,12,16,21-22,26H,1,5,9-11,13H2,2H3/b15-6+/t16-,21-,22-,25+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)C(=O)C4=CNC5=CC=CC=C54	YDVFUZPJDBGPJZ-ICPKPPSNSA-N
DG69939	"1-Cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid"	155815344	NSC783681; NSC-783681	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783681	.	.	.	.	533.6	C27H24FN5O4S	134	965	3.5	38	2	9	5	"InChI=1S/C27H24FN5O4S/c28-20-12-18-22(33(17-6-7-17)14-19(24(18)34)25(35)36)13-23(20)31-8-10-32(11-9-31)27(37)30-26-29-21(15-38-26)16-4-2-1-3-5-16/h1-5,12-15,17H,6-11H2,(H,35,36)(H,29,30,37)"	C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)NC5=NC(=CS5)C6=CC=CC=C6)F)C(=O)O	QNQRPDOWTOJQAL-UHFFFAOYSA-N
DG69940	NSC797011	155815354	"7-[4-[[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid; NSC797011; NSC-797011"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797011	.	.	.	.	596.1	C29H27ClFN5O4S	126	1050	4.7	41	1	9	6	"InChI=1S/C29H27ClFN5O4S/c1-2-35(28-32-23(16-41-28)17-3-5-18(30)6-4-17)29(40)34-11-9-33(10-12-34)25-14-24-20(13-22(25)31)26(37)21(27(38)39)15-36(24)19-7-8-19/h3-6,13-16,19H,2,7-12H2,1H3,(H,38,39)"	CCN(C1=NC(=CS1)C2=CC=C(C=C2)Cl)C(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F	AWDHVIHZFBXINI-UHFFFAOYSA-N
DG69941	"7,10-dihydroxy-12-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-13H-naphtho[3,2-b][1,4]benzoxazepine-6,11-dione"	155815392	NSC791349; NSC-791349	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791349	.	.	.	.	484.5	C27H24N4O5	106	903	4.2	36	2	9	2	"InChI=1S/C27H24N4O5/c1-29-10-12-30(13-11-29)21-9-6-17(14-28-21)31-15-16-4-2-3-5-20(16)36-27-24(31)25(34)22-18(32)7-8-19(33)23(22)26(27)35/h2-9,14,32-33H,10-13,15H2,1H3"	CN1CCN(CC1)C2=NC=C(C=C2)N3CC4=CC=CC=C4OC5=C3C(=O)C6=C(C=CC(=C6C5=O)O)O	QTFVWAWZVNFZMJ-UHFFFAOYSA-N
DG69942	"(3R,4R)-4-(4-ethylsulfanylphenyl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one"	155815472	NSC791050; NSC-791050	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791050	.	.	.	.	389.5	C20H23NO5S	93.5	485	2.8	27	1	6	7	"InChI=1S/C20H23NO5S/c1-5-27-14-8-6-12(7-9-14)17-18(22)20(23)21(17)13-10-15(24-2)19(26-4)16(11-13)25-3/h6-11,17-18,22H,5H2,1-4H3/t17-,18-/m1/s1"	CCSC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)O	RUIOTNLYRNVOJJ-QZTJIDSGSA-N
DG69943	NSC800288	155815526	1-Hydroxy-3-[2-[2-[2-[2-[2-(1-hydroxy-6-methyl-2-sulfanylidenepyridin-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-methylpyridine-2-thione; NSC800288; NSC-800288	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800288	.	.	.	.	516.6	C22H32N2O8S2	167	747	1.3	34	2	10	17	"InChI=1S/C22H32N2O8S2/c1-17-3-5-19(21(33)23(17)25)31-15-13-29-11-9-27-7-8-28-10-12-30-14-16-32-20-6-4-18(2)24(26)22(20)34/h3-6,25-26H,7-16H2,1-2H3"	CC1=CC=C(C(=S)N1O)OCCOCCOCCOCCOCCOC2=CC=C(N(C2=S)O)C	VRLWTLXADZKMHY-UHFFFAOYSA-N
DG69944	NSC800287	155815532	1-Hydroxy-3-[2-[2-[2-[2-(1-hydroxy-6-methyl-2-sulfanylidenepyridin-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]-6-methylpyridine-2-thione; NSC800287; NSC-800287	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800287	.	.	.	.	472.6	C20H28N2O7S2	157	703	1.4	31	2	9	14	"InChI=1S/C20H28N2O7S2/c1-15-3-5-17(19(30)21(15)23)28-13-11-26-9-7-25-8-10-27-12-14-29-18-6-4-16(2)22(24)20(18)31/h3-6,23-24H,7-14H2,1-2H3"	CC1=CC=C(C(=S)N1O)OCCOCCOCCOCCOC2=CC=C(N(C2=S)O)C	NFZSCIGNYNUEPW-UHFFFAOYSA-N
DG69945	"N-butyl-5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzamide"	155815558	NSC798524; NSC-798524	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798524	.	.	.	.	330.4	C18H22N2O4	102	393	3.4	24	5	5	7	"InChI=1S/C18H22N2O4/c1-2-3-8-19-18(24)15-10-13(4-6-17(15)23)20-11-12-9-14(21)5-7-16(12)22/h4-7,9-10,20-23H,2-3,8,11H2,1H3,(H,19,24)"	CCCCNC(=O)C1=C(C=CC(=C1)NCC2=C(C=CC(=C2)O)O)O	YKPQHYRJQNJFCP-UHFFFAOYSA-N
DG69946	"N-(5-piperazin-1-ylpyridin-2-yl)-4-(thieno[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide"	155815576	NSC799648; NSC-799648	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799648	.	.	.	.	421.5	C19H19N9OS	152	592	2.2	30	4	9	5	"InChI=1S/C19H19N9OS/c29-18(26-15-2-1-12(9-21-15)28-6-4-20-5-7-28)16-14(10-24-27-16)25-17-13-3-8-30-19(13)23-11-22-17/h1-3,8-11,20H,4-7H2,(H,24,27)(H,21,26,29)(H,22,23,25)"	C1CN(CCN1)C2=CN=C(C=C2)NC(=O)C3=C(C=NN3)NC4=C5C=CSC5=NC=N4	YXAACVQRIBVFBC-UHFFFAOYSA-N
DG69947	NSC801657	155815593	"(Z,4E)-N-[(E)-3-[(4S,5E,7R,8Z,10E)-7,16-dihydroxy-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),5,8,10,13,15-hexaen-4-yl]prop-1-enyl]-4-methoxyiminobut-2-enamide; NSC801657; NSC807028; NSC-801657; NSC-807028"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801657	.	.	.	.	424.4	C23H24N2O6	117	768	3.3	31	3	7	6	"InChI=1S/C23H24N2O6/c1-30-25-16-6-12-21(28)24-15-5-10-19-14-13-18(26)9-3-2-7-17-8-4-11-20(27)22(17)23(29)31-19/h2-9,11-16,18-19,26-27H,10H2,1H3,(H,24,28)/b7-2+,9-3-,12-6-,14-13+,15-5+,25-16+/t18-,19+/m1/s1"	CO/N=C/C=C\\C(=O)N/C=C/C[C@H]1/C=C/[C@@H](/C=C\\C=C\\C2=C(C(=CC=C2)O)C(=O)O1)O	YILZDELPUIJTQG-QYPKZVLMSA-N
DG69948	NSC787534	155815631	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[2-(3-methoxyphenyl)ethyl]carbamate; NSC787534; NSC-787534"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787534	.	.	.	.	441.5	C25H31NO6	86.4	764	3.4	32	1	6	7	"InChI=1S/C25H31NO6/c1-16-20-10-9-18(7-5-12-25(2)22(32-25)21(20)31-23(16)27)15-30-24(28)26-13-11-17-6-4-8-19(14-17)29-3/h4,6-8,14,20-22H,1,5,9-13,15H2,2-3H3,(H,26,28)/b18-7+/t20-,21-,22-,25+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCCC4=CC(=CC=C4)OC	CSFQVWSTOKDWEL-MAUZZTGXSA-N
DG69949	NSC782393	155815670	"(1S)-1-[(3S)-7-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5,10-dihydroxy-3-[5-hydroxy-4-[5-hydroxy-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyl-4-oxo-2,3-dihydro-1H-anthracen-2-yl]-1-methoxybutane-2,3-dione; NSC782393; NSC-782393"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782393	.	.	.	.	1053.1	C51H72O23	324	1900	1.5	74	8	23	15	"InChI=1S/C51H72O23/c1-18-30(70-36-15-31(44(58)21(4)66-36)71-34-13-28(53)43(57)20(3)65-34)12-26-10-25-11-27(50(64-9)42(56)19(2)52)51(48(62)40(25)47(61)39(26)41(18)55)74-38-17-33(46(60)23(6)68-38)73-37-16-32(45(59)22(5)67-37)72-35-14-29(54)49(63-8)24(7)69-35/h10,12,20-24,27-29,31-38,43-46,49-51,53-55,57-61H,11,13-17H2,1-9H3/t20 ,21 ,22 ,23 ,24 ,27 ,28 ,29 ,31 ,32 ,33 ,34 ,35 ,36 ,37 ,38 ,43 ,44 ,45 ,46 ,49 ,50-,51-/m0/s1"	CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)[C@H](C(C5)[C@@H](C(=O)C(=O)C)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC)O)C(=C4C(=C3C)O)O)O)O	KFUFVQHVACJVSE-RSONUFKPSA-N
DG69950	"(11Z)-11-[(4-bromophenyl)methylidene]-3,5-diethyl-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione"	155815700	NSC803205; NSC-803205	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803205	.	.	.	.	436.3	C17H18BrN5O2S	93.6	676	3.6	26	1	5	3	"InChI=1S/C17H18BrN5O2S/c1-3-21-13-14(22(4-2)17(21)25)23-15(24)12(26-16(23)20-19-13)9-10-5-7-11(18)8-6-10/h5-9,13-14,19H,3-4H2,1-2H3/b12-9-"	CCN1C2C(N(C1=O)CC)N3C(=O)/C(=C/C4=CC=C(C=C4)Br)/SC3=NN2	GVKHZFYVDCQFOG-XFXZXTDPSA-N
DG69951	"7-[4-[[4-(4-Bromophenyl)-1,3-thiazol-2-yl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid"	155815711	NSC803320; NSC-803320	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803320	.	.	.	.	612.5	C27H23BrFN5O4S	134	1000	4.2	39	2	9	5	"InChI=1S/C27H23BrFN5O4S/c28-16-3-1-15(2-4-16)21-14-39-26(30-21)31-27(38)33-9-7-32(8-10-33)23-12-22-18(11-20(23)29)24(35)19(25(36)37)13-34(22)17-5-6-17/h1-4,11-14,17H,5-10H2,(H,36,37)(H,30,31,38)"	C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)NC5=NC(=CS5)C6=CC=C(C=C6)Br)F)C(=O)O	JYHBLCUTFFJFRI-UHFFFAOYSA-N
DG69952	NSC802076	155815742	"7-Bromo-13-hydroxy-3-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione; NSC802076; NSC-802076"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	802076	.	.	.	.	434.2	C21H12BrN3O3	78.3	719	4	28	2	3	0	"InChI=1S/C21H12BrN3O3/c1-24-13-7-6-9(22)8-11(13)15-17-16(20(26)25(28)21(17)27)14-10-4-2-3-5-12(10)23-18(14)19(15)24/h2-8,23,28H,1H3"	CN1C2=C(C=C(C=C2)Br)C3=C4C(=C5C6=CC=CC=C6NC5=C31)C(=O)N(C4=O)O	SSKUBXWRQZAJTR-UHFFFAOYSA-N
DG69953	NSC801839	155815745	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[[4-[[2-(3-chloropropyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]methyl]phenyl]methyl]carbamate; NSC801839; NSC-801839"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801839	.	.	.	.	604.1	C29H34ClN3O7S	143	1090	3.5	41	1	8	10	"InChI=1S/C29H34ClN3O7S/c1-18-22-11-10-21(5-3-12-29(2)24(40-29)23(22)39-25(18)34)17-38-26(35)31-15-19-6-8-20(9-7-19)16-32-27(36)33(14-4-13-30)41-28(32)37/h5-9,22-24H,1,3-4,10-17H2,2H3,(H,31,35)/b21-5+/t22-,23-,24-,29+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCC4=CC=C(C=C4)CN5C(=O)N(SC5=O)CCCCl	XTSBTJZOVUZVTP-LKBGUSNKSA-N
DG69954	"(5,10,11-Trimethylpyrido[2,3-b]carbazol-7-yl)methanol"	155815754	NSC802082; NSC-802082	.	.	Investigative Drug(s)	Investigative	Small molecular drug	802082	.	.	.	.	290.4	C19H18N2O	38	414	3.4	22	1	2	1	"InChI=1S/C19H18N2O/c1-11-14-5-4-8-20-18(14)12(2)19-17(11)15-9-13(10-22)6-7-16(15)21(19)3/h4-9,22H,10H2,1-3H3"	CC1=C2C=CC=NC2=C(C3=C1C4=C(N3C)C=CC(=C4)CO)C	CMUBKFXXZKGNDR-UHFFFAOYSA-N
DG69955	"1-[(E)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione"	155815757	NSC803357; NSC-803357	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803357	.	.	.	.	433.5	C29H23NO3	63.2	829	4.6	33	1	3	4	"InChI=1S/C29H23NO3/c1-2-17-11-13-18(14-12-17)23(31)15-16-29-21-9-5-3-7-19(21)24(20-8-4-6-10-22(20)29)25-26(29)28(33)30-27(25)32/h3-16,24-26H,2H2,1H3,(H,30,32,33)/b16-15+"	CCC1=CC=C(C=C1)C(=O)/C=C/C23C4C(C(C5=CC=CC=C52)C6=CC=CC=C36)C(=O)NC4=O	GMFCWRQRTCJBIZ-FOCLMDBBSA-N
DG69956	Trimethyl-[2-[[2-(2-octadecoxyphenyl)acetyl]amino]ethyl]azanium	155815849	NSC798183; NSC-798183	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798183	.	.	.	.	489.8	C31H57N2O2+	38.3	489	10	35	1	2	23	"InChI=1S/C31H56N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27-35-30-24-21-20-23-29(30)28-31(34)32-25-26-33(2,3)4/h20-21,23-24H,5-19,22,25-28H2,1-4H3/p+1"	CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(=O)NCC[N+](C)(C)C	IHTGCFXTOFRSLW-UHFFFAOYSA-O
DG69957	"Ethyl 2,7-diamino-3,4-dicyano-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyridine-6-carboxylate"	155815855	NSC798758; NSC-798758	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798758	.	.	.	.	376.4	C19H16N6O3	152	676	2.7	28	2	8	5	"InChI=1S/C19H16N6O3/c1-3-28-19(26)15-14(10-4-6-11(27-2)7-5-10)12(8-20)16-13(9-21)17(22)24-25(16)18(15)23/h4-7H,3,23H2,1-2H3,(H2,22,24)"	CCOC(=O)C1=C(N2C(=C(C(=N2)N)C#N)C(=C1C3=CC=C(C=C3)OC)C#N)N	OBHKFPUJRGVAJS-UHFFFAOYSA-N
DG69958	"4-[4-(3-methoxyphenyl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine"	155815900	NSC754824; NSC-754824	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754824	.	.	.	.	309.4	C17H19N5O	57.3	387	2.4	23	1	5	3	"InChI=1S/C17H19N5O/c1-23-14-4-2-3-13(11-14)21-7-9-22(10-8-21)17-16-15(5-6-18-16)19-12-20-17/h2-6,11-12,18H,7-10H2,1H3"	COC1=CC=CC(=C1)N2CCN(CC2)C3=NC=NC4=C3NC=C4	VHLTXILSFZDVKM-UHFFFAOYSA-N
DG69959	"1-[(4-Chlorophenyl)methyl]-2,5-dimethyl-3-phenylpyrrole"	155815953	NSC764901; NSC-764901	.	.	Investigative Drug(s)	Investigative	Small molecular drug	764901	.	.	.	.	295.8	C19H18ClN	4.9	318	5.3	21	0	0	3	"InChI=1S/C19H18ClN/c1-14-12-19(17-6-4-3-5-7-17)15(2)21(14)13-16-8-10-18(20)11-9-16/h3-12H,13H2,1-2H3"	CC1=CC(=C(N1CC2=CC=C(C=C2)Cl)C)C3=CC=CC=C3	GRAMJHBIOUFMDD-UHFFFAOYSA-N
DG69960	"3,4-bis(4-methylphenyl)-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one"	155815969	NSC765773; NSC-765773	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765773	.	.	.	.	317.3	C19H15N3O2	67.5	505	3.8	24	1	4	2	"InChI=1S/C19H15N3O2/c1-11-3-7-13(8-4-11)16-15-17(19(23)21-20-16)22-24-18(15)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,21,23)"	CC1=CC=C(C=C1)C2=C3C(=NNC(=O)C3=NO2)C4=CC=C(C=C4)C	MIVUTDACJQIZLB-UHFFFAOYSA-N
DG69961	N-(4-benzylphenyl)-3-(dimethylaminodiazenyl)indazole-1-carboxamide	155815970	NSC765771; NSC-765771	.	.	Investigative Drug(s)	Investigative	Small molecular drug	765771	.	.	.	.	398.5	C23H22N6O	74.9	582	5.8	30	1	5	5	"InChI=1S/C23H22N6O/c1-28(2)27-25-22-20-10-6-7-11-21(20)29(26-22)23(30)24-19-14-12-18(13-15-19)16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,24,30)"	CN(C)N=NC1=NN(C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)CC4=CC=CC=C4	CMFKSYYWGQSJRM-UHFFFAOYSA-N
DG69962	"5-Methoxy-1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaen-9-amine"	155815972	NSC754596; NSC-754596	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754596	.	.	.	.	264.28	C15H12N4O	65.4	366	2.7	20	1	4	1	"InChI=1S/C15H12N4O/c1-20-9-4-5-13-11(7-9)18-15(16)14-10-3-2-6-17-12(10)8-19(13)14/h2-8H,1H3,(H2,16,18)"	COC1=CC2=C(C=C1)N3C=C4C(=C3C(=N2)N)C=CC=N4	XOGCZUMKRVUFDH-UHFFFAOYSA-N
DG69963	"3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-N-(4-methylphenyl)pyrazole-1-carboxamide"	155815984	NSC763373; NSC-763373	.	.	Investigative Drug(s)	Investigative	Small molecular drug	763373	.	.	.	.	497.5	C29H27N3O5	106	784	5.7	37	3	6	7	"InChI=1S/C29H27N3O5/c1-19-4-10-22(11-5-19)30-29(35)32-24(13-7-21-9-15-26(34)28(17-21)37-3)18-23(31-32)12-6-20-8-14-25(33)27(16-20)36-2/h4-18,33-34H,1-3H3,(H,30,35)/b12-6+,13-7+"	CC1=CC=C(C=C1)NC(=O)N2C(=CC(=N2)/C=C/C3=CC(=C(C=C3)O)OC)/C=C/C4=CC(=C(C=C4)O)OC	AICWVPUWQRFZDN-PWHKKFIBSA-N
DG69964	"5-methoxy-3-[(Z)-[1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol"	155816036	NSC761817; NSC-761817	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761817	.	.	.	.	507.5	C30H25N3O5	97.7	994	4.9	38	2	7	6	"InChI=1S/C30H25N3O5/c1-35-18-9-10-24-20(15-18)22(30(34)33-24)14-17-13-21-19-7-5-6-8-23(19)32-28(21)27(31-17)16-11-25(36-2)29(38-4)26(12-16)37-3/h5-15,33-34H,1-4H3/b17-14-"	COC1=CC2=C(C=C1)NC(=C2/C=C\\3/C=C4C5=CC=CC=C5N=C4C(=N3)C6=CC(=C(C(=C6)OC)OC)OC)O	WVTJNOKZSATQFJ-VKAVYKQESA-N
DG69965	"(E)-1-[4-(quinazolin-4-ylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one"	155816064	NSC760015; NSC-760015	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760015	.	.	.	.	441.5	C26H23N3O4	82.6	637	5.1	33	1	7	8	"InChI=1S/C26H23N3O4/c1-31-19-14-24(32-2)21(25(15-19)33-3)12-13-23(30)17-8-10-18(11-9-17)29-26-20-6-4-5-7-22(20)27-16-28-26/h4-16H,1-3H3,(H,27,28,29)/b13-12+"	COC1=CC(=C(C(=C1)OC)/C=C/C(=O)C2=CC=C(C=C2)NC3=NC=NC4=CC=CC=C43)OC	QQLYYNYDAOUNJE-OUKQBFOZSA-N
DG69966	"(E)-N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide"	155816071	NSC761141; NSC-761141	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761141	.	.	.	.	565.6	C31H35NO9	103	810	5.2	41	1	9	13	"InChI=1S/C31H35NO9/c1-34-23-14-19(9-10-20-15-24(35-2)30(40-7)25(16-20)36-3)13-22(29(23)39-6)32-28(33)12-11-21-17-26(37-4)31(41-8)27(18-21)38-5/h9-18H,1-8H3,(H,32,33)/b10-9-,12-11+"	COC1=CC(=CC(=C1OC)NC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)/C=C\\C3=CC(=C(C(=C3)OC)OC)OC	QOUCIYXDOMKIRQ-XAZJVICWSA-N
DG69967	"(E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide"	155816075	NSC761138; NSC-761138	.	.	Investigative Drug(s)	Investigative	Small molecular drug	761138	.	.	.	.	535.6	C30H33NO8	93.7	763	5.3	39	1	8	12	"InChI=1S/C30H33NO8/c1-33-23-12-10-19(8-9-20-15-24(34-2)29(38-6)25(16-20)35-3)14-22(23)31-28(32)13-11-21-17-26(36-4)30(39-7)27(18-21)37-5/h8-18H,1-7H3,(H,31,32)/b9-8-,13-11+"	COC1=C(C=C(C=C1)/C=C\\C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC	AOWDBZAJEJLEJU-CWXHDNBGSA-N
DG69968	(2Z)-5-chloro-2-[(5-nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one	155816134	NSC772283; NSC-772283	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772283	.	.	.	.	307.71	C13H6ClNO4S	100	464	4.1	20	0	5	1	InChI=1S/C13H6ClNO4S/c14-7-1-3-10-9(5-7)13(16)11(19-10)6-8-2-4-12(20-8)15(17)18/h1-6H/b11-6-	C1=CC2=C(C=C1Cl)C(=O)/C(=C/C3=CC=C(S3)[N+](=O)[O-])/O2	QAMHJGDDFCFPGL-WDZFZDKYSA-N
DG69969	"3-amino-5-hydroxy-N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide"	155816145	NSC772489; NSC-772489	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772489	.	.	.	.	407.4	C19H16F3N3O2S	117	593	4.1	28	3	8	2	"InChI=1S/C19H16F3N3O2S/c20-19(21,22)9-3-1-4-10(7-9)24-17(27)16-15(23)12-8-11-13(25-18(12)28-16)5-2-6-14(11)26/h1,3-4,7-8,14,26H,2,5-6,23H2,(H,24,27)"	C1CC(C2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)NC4=CC=CC(=C4)C(F)(F)F)N)O	ZAHZOLUOYBPQNZ-UHFFFAOYSA-N
DG69970	"(9E)-5-(3,4-dimethoxyphenyl)-9-[(3,4-dimethoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazoline"	155816219	NSC776744; NSC-776744	.	.	Investigative Drug(s)	Investigative	Small molecular drug	776744	.	.	.	.	477.6	C26H27N3O4S	90.2	872	4.5	34	0	7	6	"InChI=1S/C26H27N3O4S/c1-30-20-10-8-16(13-22(20)32-3)12-17-6-5-7-19-24(17)28-26-29(27-15-34-26)25(19)18-9-11-21(31-2)23(14-18)33-4/h8-15,25H,5-7H2,1-4H3/b17-12+"	COC1=C(C=C(C=C1)/C=C/2\\CCCC3=C2N=C4N(C3C5=CC(=C(C=C5)OC)OC)N=CS4)OC	APZROMZOLPUZAC-SFQUDFHCSA-N
DG69971	"[4-[(1E,4E)-5-(4-boronophenyl)-3-oxopenta-1,4-dienyl]phenyl]boronic acid"	155816227	NSC777095; NSC-777095	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777095	.	.	.	.	321.9	C17H16B2O5	98	408	.	24	4	5	6	"InChI=1S/C17H16B2O5/c20-17(11-5-13-1-7-15(8-2-13)18(21)22)12-6-14-3-9-16(10-4-14)19(23)24/h1-12,21-24H/b11-5+,12-6+"	B(O)(O)C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=C(C=C2)B(O)O	KLFTZCHGPALTGW-YDWXAUTNSA-N
DG69972	"4-(1,3-benzodioxol-5-yl)-5-(3,5-dimethoxyphenyl)-2H-triazole"	155816235	NSC777408; NSC-777408	.	.	Investigative Drug(s)	Investigative	Small molecular drug	777408	.	.	.	.	325.32	C17H15N3O4	78.5	415	2.7	24	1	6	4	"InChI=1S/C17H15N3O4/c1-21-12-5-11(6-13(8-12)22-2)17-16(18-20-19-17)10-3-4-14-15(7-10)24-9-23-14/h3-8H,9H2,1-2H3,(H,18,19,20)"	COC1=CC(=CC(=C1)C2=NNN=C2C3=CC4=C(C=C3)OCO4)OC	SZDNLNLPYHUBIA-UHFFFAOYSA-N
DG69973	"4-fluoro-N-[3-[[4-[6-(4-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide"	155816262	NSC780022; NSC-780022	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780022	.	.	.	.	524.6	C24H21FN6O3S2	158	804	5.1	36	3	10	9	"InChI=1S/C24H21FN6O3S2/c25-17-4-8-19(9-5-17)36(33,34)28-12-1-11-26-23-27-13-10-20(29-23)22-21(16-2-6-18(32)7-3-16)30-24-31(22)14-15-35-24/h2-10,13-15,28,32H,1,11-12H2,(H,26,27,29)"	C1=CC(=CC=C1C2=C(N3C=CSC3=N2)C4=NC(=NC=C4)NCCCNS(=O)(=O)C5=CC=C(C=C5)F)O	FQLILJQDGJUCGS-UHFFFAOYSA-N
DG69974	"N-[2-[[4-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide"	155816263	NSC780035; NSC-780035	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780035	.	.	.	.	574.6	C25H21F3N6O3S2	147	895	5.3	39	2	12	9	"InChI=1S/C25H21F3N6O3S2/c1-37-18-6-2-16(3-7-18)21-22(34-14-15-38-24(34)33-21)20-10-11-29-23(32-20)30-12-13-31-39(35,36)19-8-4-17(5-9-19)25(26,27)28/h2-11,14-15,31H,12-13H2,1H3,(H,29,30,32)"	COC1=CC=C(C=C1)C2=C(N3C=CSC3=N2)C4=NC(=NC=C4)NCCNS(=O)(=O)C5=CC=C(C=C5)C(F)(F)F	VSIGVIHPXWGQDB-UHFFFAOYSA-N
DG69975	NSC792898	155816347	"imidazol-1-yl-[(1R,2R,5S,8R,9R,10R,13R,14R,20R)-1,2,14,19,19-pentamethyl-8-prop-1-en-2-yl-18-azapentacyclo[11.9.0.02,10.05,9.014,20]docosan-5-yl]methanone; NSC792898; NSC-792898"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	792898	.	.	.	.	505.8	C33H51N3O	46.9	959	7.7	37	1	3	2	"InChI=1S/C33H51N3O/c1-22(2)23-11-15-33(28(37)36-20-19-34-21-36)17-16-31(6)24(27(23)33)9-10-26-30(5)13-8-18-35-29(3,4)25(30)12-14-32(26,31)7/h19-21,23-27,35H,1,8-18H2,2-7H3/t23-,24+,25-,26+,27+,30-,31+,32+,33-/m0/s1"	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCCNC([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C(=O)N6C=CN=C6	UOIXZWOPPNULIV-RUGINJLXSA-N
DG69976	NSC782885	155816355	"(2S)-N'-(1-benzylpiperidin-4-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]butanediamide; NSC782885; NSC-782885; 512784-20-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782885	.	.	.	.	779.8	C44H44F3N5O5	111	1400	6	57	2	9	13	"InChI=1S/C44H44F3N5O5/c45-44(46,47)34-18-10-15-32(25-34)27-48-41(54)37(26-39(53)49-35-21-23-50(24-22-35)28-31-13-6-2-7-14-31)51-36(20-19-30-11-4-1-5-12-30)40(42(51)55)52-38(29-57-43(52)56)33-16-8-3-9-17-33/h1-20,25,35-38,40H,21-24,26-29H2,(H,48,54)(H,49,53)/b20-19+/t36-,37+,38-,40+/m1/s1"	C1CN(CCC1NC(=O)C[C@@H](C(=O)NCC2=CC(=CC=C2)C(F)(F)F)N3[C@@H]([C@@H](C3=O)N4[C@H](COC4=O)C5=CC=CC=C5)/C=C/C6=CC=CC=C6)CC7=CC=CC=C7	GMZITOMLSFONNF-XFKFVYQCSA-N
DG69977	"(3R,4R)-3-amino-4-(4-ethylsulfanylphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one"	155816363	NSC791053; NSC-791053	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791053	.	.	.	.	388.5	C20H24N2O4S	99.3	486	2.5	27	1	6	7	"InChI=1S/C20H24N2O4S/c1-5-27-14-8-6-12(7-9-14)18-17(21)20(23)22(18)13-10-15(24-2)19(26-4)16(11-13)25-3/h6-11,17-18H,5,21H2,1-4H3/t17-,18-/m1/s1"	CCSC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)N	KUUGAHMZWHBSDX-QZTJIDSGSA-N
DG69978	1-[(6-Methoxynaphthalen-2-yl)methyl]-3-(naphthalen-2-ylmethyl)imidazol-3-ium	155816406	NSC788914; NSC-788914	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788914	.	.	.	.	379.5	C26H23N2O+	18	525	5.8	29	0	1	5	"InChI=1S/C26H23N2O/c1-29-26-11-10-24-15-21(7-9-25(24)16-26)18-28-13-12-27(19-28)17-20-6-8-22-4-2-3-5-23(22)14-20/h2-16,19H,17-18H2,1H3/q+1"	COC1=CC2=C(C=C1)C=C(C=C2)CN3C=C[N+](=C3)CC4=CC5=CC=CC=C5C=C4	BAWOEXIUXCIASW-UHFFFAOYSA-N
DG69979	"6-bromo-3-[3-(6-bromo-4-hydroxy-1-oxo-2H-isoquinolin-3-yl)-1,4-dihydroxynaphthalen-2-yl]isoquinoline-1,4-dione"	155816415	NSC797537; NSC-797537	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797537	.	.	.	.	634.2	C28H14Br2N2O6	136	1090	4.8	38	4	6	2	"InChI=1S/C28H14Br2N2O6/c29-11-5-7-15-17(9-11)25(35)21(31-27(15)37)19-20(24(34)14-4-2-1-3-13(14)23(19)33)22-26(36)18-10-12(30)6-8-16(18)28(38)32-22/h1-10,33-35H,(H,31,37)"	C1=CC=C2C(=C1)C(=C(C(=C2O)C3=NC(=O)C4=C(C3=O)C=C(C=C4)Br)C5=C(C6=C(C=CC(=C6)Br)C(=O)N5)O)O	RQCCIMUOBKCYKK-UHFFFAOYSA-N
DG69980	NSC781619	155816437	"methyl (13S,15R,17S)-13-[(1R,9R,10S,11R,12R,13R,15S,20R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6-trien-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate; NSC781619; NSC-781619"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781619	.	.	.	.	768	C44H57N5O7	165	1600	2.7	56	5	10	7	"InChI=1S/C44H57N5O7/c1-6-40(53)19-24-20-43(39(52)56-5,34-27(12-14-48(21-24)23-40)26-10-8-9-11-31(26)46-34)30-17-29-32(18-33(30)55-4)47(3)36-42(29)13-15-49-22-25-16-28(25)41(7-2,35(42)49)37(50)44(36,54)38(45)51/h8-11,17-18,24-25,28,35-37,46,50,53-54H,6-7,12-16,19-23H2,1-5H3,(H2,45,51)/t24-,25+,28+,35-,36+,37+,40-,41+,42+,43-,44-/m0/s1"	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@]([C@@H]1C[C@@H]1C9)([C@H]([C@@]([C@@H]8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O	DSIPFVAINUSSIE-SJKWVTIXSA-N
DG69981	"3-Bromo-6-[3-(dimethylamino)propoxy]-9-methoxyindeno[1,2-c]quinolin-11-one"	155816463	NSC781404; NSC-781404	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781404	.	.	.	.	441.3	C22H21BrN2O3	51.7	560	4.7	28	0	5	6	"InChI=1S/C22H21BrN2O3/c1-25(2)9-4-10-28-22-20-15-8-6-14(27-3)12-17(15)21(26)19(20)16-7-5-13(23)11-18(16)24-22/h5-8,11-12H,4,9-10H2,1-3H3"	CN(C)CCCOC1=NC2=C(C=CC(=C2)Br)C3=C1C4=C(C3=O)C=C(C=C4)OC	WPKVVFWDYYZHAU-UHFFFAOYSA-N
DG69982	NSC788320	155816465	"4-[[2-(4-fluorophenyl)-2-bicyclo[2.2.1]heptanyl]-methylamino]-N-[(2R,3S,4R,6S)-3-hydroxy-2-methyl-6-[[(1R,3R)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]butanamide; NSC788320; NSC-788320"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788320	.	.	.	.	830.9	C45H51FN2O12	212	1610	5	60	6	14	12	"InChI=1S/C45H51FN2O12/c1-22-39(52)29(47-33(51)8-5-15-48(2)45(18-23-9-10-25(45)16-23)24-11-13-26(46)14-12-24)17-34(59-22)60-31-20-44(57,32(50)21-49)19-28-36(31)43(56)38-37(41(28)54)40(53)27-6-4-7-30(58-3)35(27)42(38)55/h4,6-7,11-14,22-23,25,29,31,34,39,49,52,54,56-57H,5,8-10,15-21H2,1-3H3,(H,47,51)/t22-,23 ,25 ,29-,31-,34-,39-,44-,45 /m1/s1"	C[C@@H]1[C@H]([C@@H](C[C@H](O1)O[C@@H]2C[C@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)CCCN(C)C6(CC7CCC6C7)C8=CC=C(C=C8)F)O	WCSMLARGQAEWLE-JDVCFUHQSA-N
DG69983	"11-(3-Bromophenyl)-11,12-dihydropyrido[3,2-c][1,7]phenanthrolin-6-amine"	155816475	NSC782844; NSC-782844	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782844	.	.	.	.	403.3	C21H15BrN4	64.7	502	3.8	26	1	4	1	"InChI=1S/C21H15BrN4/c22-13-5-1-4-12(10-13)16-11-17-14(6-2-8-24-17)20-18(16)19-15(21(23)26-20)7-3-9-25-19/h1-10,16H,11H2,(H2,23,26)"	C1C(C2=C(C3=C1N=CC=C3)N=C(C4=C2N=CC=C4)N)C5=CC(=CC=C5)Br	VOGLHIOTDZHPIX-UHFFFAOYSA-N
DG69984	N-[3-[[4-[3-(3-hydroxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]propyl]naphthalene-1-sulfonamide	155816496	NSC787092; NSC-787092	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787092	.	.	.	.	575.7	C33H29N5O3S	118	941	6.9	42	3	7	10	"InChI=1S/C33H29N5O3S/c39-28-14-6-11-26(21-28)33-30(23-38(37-33)27-12-2-1-3-13-27)25-17-20-35-32(22-25)34-18-8-19-36-42(40,41)31-16-7-10-24-9-4-5-15-29(24)31/h1-7,9-17,20-23,36,39H,8,18-19H2,(H,34,35)"	C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCCNS(=O)(=O)C5=CC=CC6=CC=CC=C65	ZKNYJAGKARWECT-UHFFFAOYSA-N
DG69985	NSC797381	155816510	"[3-[5-(2-Anilinopyrimidin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-(2,6-difluorophenyl)sulfonylazanide; NSC797381; NSC-797381"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797381	.	.	.	.	609.6	C28H20F3N6O3S2-	152	994	4.5	42	2	12	9	"InChI=1S/C28H20F3N6O3S2/c1-32-22(38)15-23-36-25(26(41-23)21-13-14-33-28(35-21)34-16-7-3-2-4-8-16)17-9-5-12-20(24(17)31)37-42(39,40)27-18(29)10-6-11-19(27)30/h2-14H,15H2,1H3,(H,32,38)(H,33,34,35)/q-1"	CNC(=O)CC1=NC(=C(S1)C2=NC(=NC=C2)NC3=CC=CC=C3)C4=C(C(=CC=C4)[N-]S(=O)(=O)C5=C(C=CC=C5F)F)F	XGWYLVFNZZNBDE-UHFFFAOYSA-N
DG69986	"Dibenzyl 2,6-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	155816524	NSC788815; NSC-788815	.	.	Investigative Drug(s)	Investigative	Small molecular drug	788815	.	.	.	.	543.6	C32H33NO7	92.3	862	5.5	40	1	8	12	"InChI=1S/C32H33NO7/c1-20-27(31(34)39-18-22-12-8-6-9-13-22)29(24-16-25(36-3)30(38-5)26(17-24)37-4)28(21(2)33-20)32(35)40-19-23-14-10-7-11-15-23/h6-17,29,33H,18-19H2,1-5H3"	CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCC4=CC=CC=C4	MEZJIRPCHJSUDA-UHFFFAOYSA-N
DG69987	"bis[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl] hexanedioate"	155816530	NSC791774; NSC-791774	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791774	.	.	.	.	638.7	C36H46O10	130	1260	3.7	46	0	10	11	"InChI=1S/C36H46O10/c1-21-25-15-13-23(9-7-17-35(3)31(45-35)29(25)43-33(21)39)19-41-27(37)11-5-6-12-28(38)42-20-24-10-8-18-36(4)32(46-36)30-26(16-14-24)22(2)34(40)44-30/h9-10,25-26,29-32H,1-2,5-8,11-20H2,3-4H3/b23-9+,24-10+/t25-,26-,29-,30-,31-,32-,35+,36+/m0/s1"	C[C@]12O[C@H]1[C@H]3OC(=O)C(=C)[C@@H]3CC/C(=C\\CC2)/COC(=O)CCCCC(=O)OC/C/4=C/CC[C@]5(O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4)C	URGGRNDFKNKASV-XCGZZUKFSA-N
DG69988	"[3-[Bis(2,2-dimethylpropanoyloxymethoxy)phosphoryl]-2-oxopiperidin-1-yl] benzoate"	155816557	NSC790965; NSC-790965	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790965	.	.	.	.	527.5	C24H34NO10P	135	818	4	36	0	10	14	"InChI=1S/C24H34NO10P/c1-23(2,3)21(28)31-15-33-36(30,34-16-32-22(29)24(4,5)6)18-13-10-14-25(19(18)26)35-20(27)17-11-8-7-9-12-17/h7-9,11-12,18H,10,13-16H2,1-6H3"	CC(C)(C)C(=O)OCOP(=O)(C1CCCN(C1=O)OC(=O)C2=CC=CC=C2)OCOC(=O)C(C)(C)C	RHCXDUUYRRYNLW-UHFFFAOYSA-N
DG69989	"4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide"	155816577	NSC781146; NSC-781146	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781146	.	.	.	.	432.5	C23H28N8O	102	619	2.4	32	3	7	6	"InChI=1S/C23H28N8O/c1-30-9-11-31(12-10-30)14-16-5-7-17(8-6-16)27-23(32)21-20(13-26-29-21)28-22-18-3-2-4-19(18)24-15-25-22/h5-8,13,15H,2-4,9-12,14H2,1H3,(H,26,29)(H,27,32)(H,24,25,28)"	CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4CCC5	JBSNOLNNNWMLEG-UHFFFAOYSA-N
DG69990	NSC797583	155816579	"(E)-3-(4-bromophenyl)-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]prop-2-enamide; NSC797583; NSC-797583"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	797583	.	.	.	.	472.4	C24H26BrNO4	67.9	767	3.9	30	1	4	4	"InChI=1S/C24H26BrNO4/c1-15-19-11-7-17(4-3-13-24(2)22(30-24)21(19)29-23(15)28)14-26-20(27)12-8-16-5-9-18(25)10-6-16/h4-6,8-10,12,19,21-22H,1,3,7,11,13-14H2,2H3,(H,26,27)/b12-8+,17-4+/t19-,21-,22-,24+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CNC(=O)/C=C/C4=CC=C(C=C4)Br	OSZVZJXPQDXFJB-ZLELDTTNSA-N
DG69991	"hexyl 2-[(5Z)-5-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]acetate"	155816601	NSC787809; NSC-787809	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787809	.	.	.	.	409.5	C24H31N3O3	79.5	698	3.7	30	2	4	11	"InChI=1S/C24H31N3O3/c1-5-6-7-8-12-30-24(28)13-18-16(2)20(26-17(18)3)14-22-23(29-4)15-21(27-22)19-10-9-11-25-19/h9-11,14-15,25,27H,5-8,12-13H2,1-4H3/b20-14-"	CCCCCCOC(=O)CC1=C(/C(=C/C2=C(C=C(N2)C3=CC=CN3)OC)/N=C1C)C	MCAJHHIMUMZGAC-ZHZULCJRSA-N
DG69992	NSC789944	155816671	"(3E,5E,7S,8S,11E,13E,15S,16S)-16-[(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-[(2R,4R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-2-hydroxy-6-methyloxan-2-yl]-3-hydroxypentan-2-yl]-8-[(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-[(2S,4R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-2-hydroxy-6-methyloxan-2-yl]-3-hydroxypentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione; NSC789944; NSC-789944"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789944	.	.	.	.	1025.3	C54H88O18	270	1730	7	72	8	18	14	"InChI=1S/C54H88O18/c1-13-37-33(9)71-53(63,25-41(37)67-45-23-39(55)49(61)35(11)65-45)31(7)47(59)29(5)51-27(3)19-15-17-22-44(58)70-52(28(4)20-16-18-21-43(57)69-51)30(6)48(60)32(8)54(64)26-42(38(14-2)34(10)72-54)68-46-24-40(56)50(62)36(12)66-46/h15-22,27-42,45-52,55-56,59-64H,13-14,23-26H2,1-12H3/b19-15+,20-16+,21-18+,22-17+/t27-,28-,29-,30-,31-,32-,33+,34+,35 ,36 ,37+,38+,39+,40+,41+,42+,45-,46+,47+,48+,49+,50+,51-,52-,53+,54+/m0/s1"	CC[C@H]1[C@@H](C[C@](O[C@@H]1C)(O)[C@H]([C@H](O)[C@@H]([C@H]2OC(=O)/C=C/C=C/[C@@H]([C@H](OC(=O)/C=C/C=C/[C@@H]2C)[C@H]([C@@H](O)[C@@H]([C@@]3(O[C@@H]([C@H]([C@@H](C3)O[C@@H]4OC([C@H]([C@@H](C4)O)O)C)CC)C)O)C)C)C)C)C)O[C@H]5OC([C@H]([C@@H](C5)O)O)C	OSERMIPXNLXAPD-BMJPDPRUSA-N
DG69993	"6-[2-(Dimethylamino)ethoxy]-3,9-dimethoxyindeno[1,2-c]quinolin-11-one"	155816705	NSC781402; NSC-781402	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781402	.	.	.	.	378.4	C22H22N2O4	60.9	557	3.6	28	0	6	6	"InChI=1S/C22H22N2O4/c1-24(2)9-10-28-22-20-15-7-5-13(26-3)11-17(15)21(25)19(20)16-8-6-14(27-4)12-18(16)23-22/h5-8,11-12H,9-10H2,1-4H3"	CN(C)CCOC1=NC2=C(C=CC(=C2)OC)C3=C1C4=C(C3=O)C=C(C=C4)OC	IBZBATWQSZQCDS-UHFFFAOYSA-N
DG69994	NSC796318	155816723	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 3-[[3-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methoxy]-3-oxopropyl]disulfanyl]propanoate; NSC796318; NSC-796318"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	796318	.	.	.	.	702.9	C36H46O10S2	181	1300	3.6	48	0	12	13	"InChI=1S/C36H46O10S2/c1-21-25-11-9-23(7-5-15-35(3)31(45-35)29(25)43-33(21)39)19-41-27(37)13-17-47-48-18-14-28(38)42-20-24-8-6-16-36(4)32(46-36)30-26(12-10-24)22(2)34(40)44-30/h7-8,25-26,29-32H,1-2,5-6,9-20H2,3-4H3/b23-7+,24-8+/t25-,26-,29-,30-,31-,32-,35+,36+/m0/s1"	C[C@]12O[C@H]1[C@H]3OC(=O)C(=C)[C@@H]3CC/C(=C\\CC2)/COC(=O)CCSSCCC(=O)OC/C/4=C/CC[C@]5(O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4)C	QYPHOUWMOPGBNB-GMINLOHTSA-N
DG69995	"[7-[(4-Methoxyphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazol-3-yl]methanol"	155816728	NSC793973; NSC-793973	.	.	Investigative Drug(s)	Investigative	Small molecular drug	793973	.	.	.	.	476.5	C27H28N2O6	88.1	662	3.4	35	1	7	8	"InChI=1S/C27H28N2O6/c1-31-18-7-5-16(6-8-18)13-29-14-21-19(9-10-20-22(15-30)28-35-26(20)21)25(29)17-11-23(32-2)27(34-4)24(12-17)33-3/h5-8,11-12,14,30H,9-10,13,15H2,1-4H3"	COC1=CC=C(C=C1)CN2C=C3C(=C2C4=CC(=C(C(=C4)OC)OC)OC)CCC5=C3ON=C5CO	AIMUKUMVGZCLPE-UHFFFAOYSA-N
DG69996	"benzyl 3-[2-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-4,5-dimethyl-1H-pyrrol-3-yl]propanoate"	155816757	NSC787814; NSC-787814	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787814	.	.	.	.	429.5	C26H27N3O3	79.5	753	4	32	2	4	9	"InChI=1S/C26H27N3O3/c1-17-18(2)28-22(14-24-25(31-3)15-23(29-24)21-10-7-13-27-21)20(17)11-12-26(30)32-16-19-8-5-4-6-9-19/h4-10,13-15,27-28H,11-12,16H2,1-3H3/b24-14-"	CC1=C(NC(=C1CCC(=O)OCC2=CC=CC=C2)/C=C\\3/C(=CC(=N3)C4=CC=CN4)OC)C	WQESIZIROXOHNS-OYKKKHCWSA-N
DG69997	N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide	155816778	NSC783554; NSC-783554	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783554	.	.	.	.	607.6	C31H28F3N5O3S	107	953	6.9	43	2	10	11	"InChI=1S/C31H28F3N5O3S/c1-42-26-10-5-7-23(19-26)30-28(21-39(38-30)25-8-3-2-4-9-25)22-15-18-36-29(20-22)35-16-6-17-37-43(40,41)27-13-11-24(12-14-27)31(32,33)34/h2-5,7-15,18-21,37H,6,16-17H2,1H3,(H,35,36)"	COC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)NCCCNS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5	TVSNECGFTYBNFM-UHFFFAOYSA-N
DG69998	NSC785287	155816782	"21-[3-(2,4-Dichlorophenyl)propyl]-16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene; NSC785287; NSC-785287"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785287	.	.	.	.	523.4	C29H26Cl2NO4+	40.8	744	7.6	36	0	4	6	"InChI=1S/C29H26Cl2NO4/c1-33-25-9-8-20-21(5-3-4-17-6-7-19(30)13-24(17)31)28-22-14-27-26(35-16-36-27)12-18(22)10-11-32(28)15-23(20)29(25)34-2/h6-9,12-15H,3-5,10-11,16H2,1-2H3/q+1"	COC1=C(C2=C[N+]3=C(C4=CC5=C(C=C4CC3)OCO5)C(=C2C=C1)CCCC6=C(C=C(C=C6)Cl)Cl)OC	HBGBZHJEGVLWMK-UHFFFAOYSA-N
DG69999	"Methyl 5,10,11-trimethylpyrido[3,4-b]carbazole-7-carboxylate"	155816802	NSC790102; NSC-790102	.	.	Investigative Drug(s)	Investigative	Small molecular drug	790102	.	.	.	.	318.4	C20H18N2O2	44.1	496	4.1	24	0	3	2	"InChI=1S/C20H18N2O2/c1-11-14-7-8-21-10-16(14)12(2)19-18(11)15-9-13(20(23)24-4)5-6-17(15)22(19)3/h5-10H,1-4H3"	CC1=C2C=CN=CC2=C(C3=C1C4=C(N3C)C=CC(=C4)C(=O)OC)C	RFXVBBMZXZDZQA-UHFFFAOYSA-N
DG70000	NSC780453	155816807	"(2S)-2-[(2R,3S)-3-[4-[4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5,10-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1H-anthracen-2-yl]-2-methoxyacetic acid; NSC780453; NSC-780453"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780453	.	.	.	.	1027.099	C49H70O23	338	1830	1.3	72	10	23	13	"InChI=1S/C49H70O23/c1-17-27(68-32-13-28(40(53)19(3)64-32)69-31-12-26(50)39(52)18(2)63-31)11-24-9-23-10-25(46(62-8)48(59)60)45(44(57)37(23)43(56)36(24)38(17)51)72-34-15-29(41(54)21(5)66-34)70-33-14-30(42(55)20(4)65-33)71-35-16-49(7,61)47(58)22(6)67-35/h9,11,18-22,25-26,28-35,39-42,45-47,50-56,58,61H,10,12-16H2,1-8H3,(H,59,60)/t18 ,19 ,20 ,21 ,22 ,25-,26 ,28 ,29 ,30 ,31 ,32 ,33 ,34 ,35 ,39 ,40 ,41 ,42 ,45+,46+,47 ,49 /m1/s1"	CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O	ZXQJLBCJKMFMOL-HGXNGHEYSA-N
DG70001	NSC782189	155816824	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 2-(5-chloro-1-methylindol-3-yl)-2-oxoacetate; NSC782189; NSC-782189"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782189	.	.	.	.	483.9	C26H26ClNO6	87.1	932	3.9	34	0	6	5	"InChI=1S/C26H26ClNO6/c1-14-17-8-6-15(5-4-10-26(2)23(34-26)22(17)33-24(14)30)13-32-25(31)21(29)19-12-28(3)20-9-7-16(27)11-18(19)20/h5,7,9,11-12,17,22-23H,1,4,6,8,10,13H2,2-3H3/b15-5+/t17-,22-,23-,26+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)C(=O)C4=CN(C5=C4C=C(C=C5)Cl)C	KXVDXRHYVTZOCH-KKLWQCETSA-N
DG70002	"4-[2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide"	155816838	NSC785507; NSC-785507	.	.	Investigative Drug(s)	Investigative	Small molecular drug	785507	.	.	.	.	415.5	C22H17N5O2S	123	616	4.3	30	2	6	4	"InChI=1S/C22H17N5O2S/c1-24-21(28)17-10-16(8-9-25-17)29-15-6-7-19-20(11-15)30-22-26-18(12-27(19)22)13-2-4-14(23)5-3-13/h2-12H,23H2,1H3,(H,24,28)"	CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N4C=C(N=C4S3)C5=CC=C(C=C5)N	VYVAAALMPRKSAQ-UHFFFAOYSA-N
DG70003	[5-[4-[5-(Hydroxymethyl)furan-2-yl]thiophen-2-yl]furan-2-yl]methanol	155816840	NSC782846; NSC-782846	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782846	.	.	.	.	276.31	C14H12O4S	95	301	1.4	19	2	5	4	"InChI=1S/C14H12O4S/c15-6-10-1-3-12(17-10)9-5-14(19-8-9)13-4-2-11(7-16)18-13/h1-5,8,15-16H,6-7H2"	C1=C(OC(=C1)C2=CC(=CS2)C3=CC=C(O3)CO)CO	ZVWQSTBARRBMBR-UHFFFAOYSA-N
DG70004	"N-hydroxy-7-(9-methoxy-6,11-dioxoindeno[1,2-c]quinolin-5-yl)heptanamide"	155816846	NSC781405; NSC-781405	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781405	.	.	.	.	420.5	C24H24N2O5	95.9	748	2.7	31	2	5	8	"InChI=1S/C24H24N2O5/c1-31-15-11-12-16-18(14-15)23(28)21-17-8-5-6-9-19(17)26(24(29)22(16)21)13-7-3-2-4-10-20(27)25-30/h5-6,8-9,11-12,14,30H,2-4,7,10,13H2,1H3,(H,25,27)"	COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N(C3=O)CCCCCCC(=O)NO	SZXGEFJTMRNBAN-UHFFFAOYSA-N
DG70005	"3-Phenyl-1-pyridin-2-yl-1,2,4-benzotriazin-7-one"	155816849	NSC780816; NSC-780816	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780816	.	.	.	.	300.3	C18H12N4O	57.9	611	2.7	23	0	4	2	InChI=1S/C18H12N4O/c23-14-9-10-15-16(12-14)22(17-8-4-5-11-19-17)21-18(20-15)13-6-2-1-3-7-13/h1-12H	C1=CC=C(C=C1)C2=NN(C3=CC(=O)C=CC3=N2)C4=CC=CC=N4	DWUMNFNYQYDEEC-UHFFFAOYSA-N
DG70006	5-[(E)-[(8-hydroxyquinolin-2-yl)hydrazinylidene]methyl]-7-(piperidin-1-ylmethyl)quinolin-8-ol	155816857	NSC781667; NSC-781667	.	.	Investigative Drug(s)	Investigative	Small molecular drug	781667	.	.	.	.	427.5	C25H25N5O2	93.9	628	4.4	32	3	7	5	"InChI=1S/C25H25N5O2/c31-21-8-4-6-17-9-10-22(28-23(17)21)29-27-15-18-14-19(16-30-12-2-1-3-13-30)25(32)24-20(18)7-5-11-26-24/h4-11,14-15,31-32H,1-3,12-13,16H2,(H,28,29)/b27-15+"	C1CCN(CC1)CC2=CC(=C3C=CC=NC3=C2O)/C=N/NC4=NC5=C(C=CC=C5O)C=C4	NJUXKBYXWJEBPK-JFLMPSFJSA-N
DG70007	3-(1-Benzyl-2-methylbenzimidazol-5-yl)-2-(4-fluorophenyl)quinazolin-4-one	155816918	NSC787832; NSC-787832	.	.	Investigative Drug(s)	Investigative	Small molecular drug	787832	.	.	.	.	460.5	C29H21FN4O	50.5	790	5.7	35	0	4	4	"InChI=1S/C29H21FN4O/c1-19-31-26-17-23(15-16-27(26)33(19)18-20-7-3-2-4-8-20)34-28(21-11-13-22(30)14-12-21)32-25-10-6-5-9-24(25)29(34)35/h2-17H,18H2,1H3"	CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)N4C(=NC5=CC=CC=C5C4=O)C6=CC=C(C=C6)F	UBXQSLKWRYFXKT-UHFFFAOYSA-N
DG70008	NSC800512	155817011	"(1S,2S,4R,7E,11S)-8-[[4-[(5-chloroindol-1-yl)methyl]triazol-1-yl]methyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one; NSC800512; NSC-800512"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	800512	.	.	.	.	479	C26H27ClN4O3	74.5	867	3.7	34	0	5	4	"InChI=1S/C26H27ClN4O3/c1-16-21-7-5-17(4-3-10-26(2)24(34-26)23(21)33-25(16)32)13-31-15-20(28-29-31)14-30-11-9-18-12-19(27)6-8-22(18)30/h4,6,8-9,11-12,15,21,23-24H,1,3,5,7,10,13-14H2,2H3/b17-4+/t21-,23-,24-,26+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CN4C=C(N=N4)CN5C=CC6=C5C=CC(=C6)Cl	FGKYLUSTMMIIST-UBKXWIOXSA-N
DG70009	2-benzamido-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide	155817074	NSC798680; NSC-798680	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798680	.	.	.	.	420.5	C26H20N4O2	83.4	652	5.4	32	2	4	6	"InChI=1S/C26H20N4O2/c31-25(20-13-5-2-6-14-20)28-22-16-8-7-15-21(22)26(32)30-29-24(19-11-3-1-4-12-19)23-17-9-10-18-27-23/h1-18H,(H,28,31)(H,30,32)/b29-24+"	C1=CC=C(C=C1)/C(=N\\NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3)/C4=CC=CC=N4	MIHADTFTHFWJDZ-RMLRFSFXSA-N
DG70010	4-[(6-cyclopentyloxypyrimidin-4-yl)amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide	155817097	NSC799654; NSC-799654	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799654	.	.	.	.	476.6	C25H32N8O2	111	662	3.3	35	3	8	8	"InChI=1S/C25H32N8O2/c1-32-10-12-33(13-11-32)16-18-6-8-19(9-7-18)29-25(34)24-21(15-28-31-24)30-22-14-23(27-17-26-22)35-20-4-2-3-5-20/h6-9,14-15,17,20H,2-5,10-13,16H2,1H3,(H,28,31)(H,29,34)(H,26,27,30)"	CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=CC(=NC=N4)OC5CCCC5	JMAXSZVKSRAYET-UHFFFAOYSA-N
DG70011	"(E)-2-(5,6-difluorobenzotriazol-1-yl)-3-(4-methylphenyl)prop-2-enenitrile"	155817098	NSC801430; NSC-801430	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801430	.	.	.	.	296.27	C16H10F2N4	54.5	478	3.7	22	0	5	2	"InChI=1S/C16H10F2N4/c1-10-2-4-11(5-3-10)6-12(9-19)22-16-8-14(18)13(17)7-15(16)20-21-22/h2-8H,1H3/b12-6+"	CC1=CC=C(C=C1)/C=C(\\C#N)/N2C3=CC(=C(C=C3N=N2)F)F	FZAWNBOEFFZPNZ-WUXMJOGZSA-N
DG70012	NSC799259	155817152	"methyl (2S)-3-(1H-indol-3-yl)-2-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methoxycarbonylamino]propanoate; NSC799259; NSC-799259"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	799259	.	.	.	.	508.6	C28H32N2O7	119	964	3.5	37	2	7	8	"InChI=1S/C28H32N2O7/c1-16-19-11-10-17(7-6-12-28(2)24(37-28)23(19)36-25(16)31)15-35-27(33)30-22(26(32)34-3)13-18-14-29-21-9-5-4-8-20(18)21/h4-5,7-9,14,19,22-24,29H,1,6,10-13,15H2,2-3H3,(H,30,33)/b17-7+/t19-,22-,23-,24-,28+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)OC	MMEYRAXWRZOSNR-HMKQSTIDSA-N
DG70013	"11-(3-chlorophenyl)-5H-pyrido[4,3-c][1,8]phenanthrolin-6-one"	155817176	NSC784604; NSC-784604	.	.	Investigative Drug(s)	Investigative	Small molecular drug	784604	.	.	.	.	357.8	C21H12ClN3O	54.9	543	3.8	26	1	3	1	"InChI=1S/C21H12ClN3O/c22-14-3-1-2-12(8-14)17-9-13-10-23-6-4-15(13)20-19(17)18-11-24-7-5-16(18)21(26)25-20/h1-11H,(H,25,26)"	C1=CC(=CC(=C1)Cl)C2=C3C4=C(C=CN=C4)C(=O)NC3=C5C=CN=CC5=C2	PSDRZBADCRPKGT-UHFFFAOYSA-N
DG70014	"3-amino-5-(1-hydroxyethyl)-6-methyl-N-naphthalen-1-ylthieno[2,3-b]pyridine-2-carboxamide"	155817181	CHEMBL4749154; NSC796020; NSC-796020	.	.	Investigative Drug(s)	Investigative	Small molecular drug	796020	.	.	.	.	377.5	C21H19N3O2S	117	548	4.4	27	3	5	3	"InChI=1S/C21H19N3O2S/c1-11-15(12(2)25)10-16-18(22)19(27-21(16)23-11)20(26)24-17-9-5-7-13-6-3-4-8-14(13)17/h3-10,12,25H,22H2,1-2H3,(H,24,26)"	CC1=C(C=C2C(=C(SC2=N1)C(=O)NC3=CC=CC4=CC=CC=C43)N)C(C)O	HJIVXEPWICGVQX-UHFFFAOYSA-N
DG70015	NSC780456	155817196	"methyl 2-[[(2S)-2-[(2R,3S)-3-[4-[4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5,10-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1H-anthracen-2-yl]-2-methoxyacetyl]amino]acetate; NSC780456; NSC-780456"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780456	.	.	.	.	1098.1	C52H75NO24	356	1990	1	77	10	24	16	"InChI=1S/C52H75NO24/c1-19-29(73-35-14-30(43(58)21(3)69-35)74-34-13-28(54)42(57)20(2)68-34)12-26-10-25-11-27(49(67-9)51(64)53-18-33(55)66-8)48(47(62)40(25)46(61)39(26)41(19)56)77-37-16-31(44(59)23(5)71-37)75-36-15-32(45(60)22(4)70-36)76-38-17-52(7,65)50(63)24(6)72-38/h10,12,20-24,27-28,30-32,34-38,42-45,48-50,54,56-61,63,65H,11,13-18H2,1-9H3,(H,53,64)/t20 ,21 ,22 ,23 ,24 ,27-,28 ,30 ,31 ,32 ,34 ,35 ,36 ,37 ,38 ,42 ,43 ,44 ,45 ,48+,49+,50 ,52 /m1/s1"	CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)NCC(=O)OC)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O	IYNFJJZHCUBHPC-ZKDCJRNVSA-N
DG70016	NSC780455	155817209	"methyl (2S)-2-[[(2S)-2-[(2R,3S)-3-[4-[4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5,10-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1H-anthracen-2-yl]-2-methoxyacetyl]amino]propanoate; NSC780455; NSC-780455"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	780455	.	.	.	.	1112.2	C53H77NO24	356	2030	1.4	78	10	24	16	"InChI=1S/C53H77NO24/c1-19-30(74-35-15-31(43(58)22(4)70-35)75-34-14-29(55)42(57)21(3)69-34)13-27-11-26-12-28(49(67-9)51(64)54-20(2)52(65)68-10)48(47(62)40(26)46(61)39(27)41(19)56)78-37-17-32(44(59)24(6)72-37)76-36-16-33(45(60)23(5)71-36)77-38-18-53(8,66)50(63)25(7)73-38/h11,13,20-25,28-29,31-38,42-45,48-50,55-61,63,66H,12,14-18H2,1-10H3,(H,54,64)/t20-,21 ,22 ,23 ,24 ,25 ,28+,29 ,31 ,32 ,33 ,34 ,35 ,36 ,37 ,38 ,42 ,43 ,44 ,45 ,48-,49-,50 ,53 /m0/s1"	CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)N[C@@H](C)C(=O)OC)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O	HBSFCZMOLYSUFM-KDZHNWKMSA-N
DG70017	NSC791526	155817223	"methyl (1R,9R,10S,11R,12R,13R,15S,20R)-11-acetyloxy-12-ethyl-4-[(13S,15S)-17-ethyl-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6-triene-10-carboxylate; NSC791526; NSC-791526"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791526	.	.	.	.	807	C47H58N4O8	134	1740	4.1	59	2	11	10	"InChI=1S/C47H58N4O8/c1-8-27-18-28-22-46(42(53)57-6,38-31(14-16-50(23-27)24-28)30-12-10-11-13-35(30)48-38)34-20-33-36(21-37(34)56-5)49(4)40-45(33)15-17-51-25-29-19-32(29)44(9-2,39(45)51)41(59-26(3)52)47(40,55)43(54)58-7/h10-13,18,20-21,28-29,32,39-41,48,55H,8-9,14-17,19,22-25H2,1-7H3/t28-,29-,32-,39+,40-,41-,44-,45-,46+,47+/m1/s1"	CCC1=C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@]([C@@H]1C[C@@H]1C9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	VEPPKJWJLBMKNF-YXRASNILSA-N
DG70018	NSC801806	155817315	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 2-[[2-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methoxy]-2-oxoethyl]sulfanylmethylsulfanyl]acetate; NSC801806; NSC-801806"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	801806	.	.	.	.	688.9	C35H44O10S2	181	1290	4.5	47	0	12	12	"InChI=1S/C35H44O10S2/c1-20-24-11-9-22(7-5-13-34(3)30(44-34)28(24)42-32(20)38)15-40-26(36)17-46-19-47-18-27(37)41-16-23-8-6-14-35(4)31(45-35)29-25(12-10-23)21(2)33(39)43-29/h7-8,24-25,28-31H,1-2,5-6,9-19H2,3-4H3/b22-7+,23-8+/t24-,25-,28-,29-,30-,31-,34+,35+/m0/s1"	C[C@]12O[C@H]1[C@H]3OC(=O)C(=C)[C@@H]3CC/C(=C\\CC2)/COC(=O)CSCSCC(=O)OC/C/4=C/CC[C@]5(O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4)C	WHEAJXDDDKWLJX-QDZZEHDISA-N
DG70019	"4-methoxy-N-[3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl]benzamide"	155817367	NSC798179; NSC-798179	.	.	Investigative Drug(s)	Investigative	Small molecular drug	798179	.	.	.	.	463.5	C26H25NO7	92.3	695	3.6	34	1	7	7	"InChI=1S/C26H25NO7/c1-30-18-10-8-15(9-11-18)26(29)27-17-7-5-6-16(12-17)20-13-19(28)23-21(34-20)14-22(31-2)24(32-3)25(23)33-4/h5-12,14,20H,13H2,1-4H3,(H,27,29)"	COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3CC(=O)C4=C(C(=C(C=C4O3)OC)OC)OC	DFCKZGPQEXPUQQ-UHFFFAOYSA-N
DG70020	NSC802184	155817377	"(1S,2S,4R,7E,11S)-8-[[4-[[2-(5-chloro-1H-indol-3-yl)ethylamino]methyl]triazol-1-yl]methyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one; NSC802184; NSC-802184"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	802184	.	.	.	.	522	C28H32ClN5O3	97.4	916	3.4	37	2	6	7	"InChI=1S/C28H32ClN5O3/c1-17-22-7-5-18(4-3-10-28(2)26(37-28)25(22)36-27(17)35)15-34-16-21(32-33-34)14-30-11-9-19-13-31-24-8-6-20(29)12-23(19)24/h4,6,8,12-13,16,22,25-26,30-31H,1,3,5,7,9-11,14-15H2,2H3/b18-4+/t22-,25-,26-,28+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/CN4C=C(N=N4)CNCCC5=CNC6=C5C=C(C=C6)Cl	BNJXFGJBCLMCHB-YGJDLAIGSA-N
DG70021	NSC804692	155926872	"(1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11Z,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-11-(pyridin-3-ylmethylidene)-1,2,3,4,5,6,6a,7,8,8a,10,12,13,14b-tetradecahydropicene-4a-carboxylic acid; NSC804692; NSC-804692"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804692	.	.	.	.	545.8	C36H51NO3	70.4	1110	7.5	40	2	4	2	"InChI=1S/C36H51NO3/c1-22-12-15-36(31(39)40)17-16-34(6)26(29(36)23(22)2)10-11-28-33(5)20-25(19-24-9-8-18-37-21-24)30(38)32(3,4)27(33)13-14-35(28,34)7/h8-10,18-19,21-23,27-30,38H,11-17,20H2,1-7H3,(H,39,40)/b25-19-/t22-,23+,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1"	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C/C(=C/C6=CN=CC=C6)/[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O	RXBGUONZTBTZTI-RAQAVHDTSA-N
DG70022	"6-chloro-N-[(E)-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylideneamino]-2-methylquinolin-4-amine"	155926891	NSC804982; NSC-804982	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804982	.	.	.	.	406.9	C22H19ClN4O2	72.5	557	5.6	29	1	6	5	"InChI=1S/C22H19ClN4O2/c1-13-10-20(18-11-16(23)6-9-19(18)25-13)27-24-12-21-14(2)29-22(26-21)15-4-7-17(28-3)8-5-15/h4-12H,1-3H3,(H,25,27)/b24-12+"	CC1=CC(=C2C=C(C=CC2=N1)Cl)N/N=C/C3=C(OC(=N3)C4=CC=C(C=C4)OC)C	PBFVIOQQSDXHPR-WYMPLXKRSA-N
DG70023	NSC804029	155926896	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[[4-[(3,5-dioxo-2-pentyl-1,2,4-thiadiazolidin-4-yl)methyl]phenyl]methyl]carbamate; NSC804029; NSC-804029"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804029	.	.	.	.	597.7	C31H39N3O7S	143	1100	4.4	42	1	8	11	"InChI=1S/C31H39N3O7S/c1-4-5-6-16-34-29(37)33(30(38)42-34)18-22-11-9-21(10-12-22)17-32-28(36)39-19-23-8-7-15-31(3)26(41-31)25-24(14-13-23)20(2)27(35)40-25/h8-12,24-26H,2,4-7,13-19H2,1,3H3,(H,32,36)/b23-8+/t24-,25-,26-,31+/m0/s1"	CCCCCN1C(=O)N(C(=O)S1)CC2=CC=C(C=C2)CNC(=O)OC/C/3=C/CC[C@@]4([C@@H](O4)[C@@H]5[C@@H](CC3)C(=C)C(=O)O5)C	OQHNXMGZTPEILN-GQIXHWJDSA-N
DG70024	NSC804031	155926898	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[[4-[(2-butyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)methyl]phenyl]methyl]carbamate; NSC804031; NSC-804031"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804031	.	.	.	.	583.7	C30H37N3O7S	143	1090	3.8	41	1	8	10	"InChI=1S/C30H37N3O7S/c1-4-5-15-33-28(36)32(29(37)41-33)17-21-10-8-20(9-11-21)16-31-27(35)38-18-22-7-6-14-30(3)25(40-30)24-23(13-12-22)19(2)26(34)39-24/h7-11,23-25H,2,4-6,12-18H2,1,3H3,(H,31,35)/b22-7+/t23-,24-,25-,30+/m0/s1"	CCCCN1C(=O)N(C(=O)S1)CC2=CC=C(C=C2)CNC(=O)OC/C/3=C/CC[C@@]4([C@@H](O4)[C@@H]5[C@@H](CC3)C(=C)C(=O)O5)C	BIYZZTVNCJGIMU-FDSHDMHJSA-N
DG70025	NSC803880	155926996	"[2-[[(1S,2R,5R,6R,7S,8R,10R)-1,5-dimethyl-7-[(E)-3-phenylprop-2-enoyl]oxy-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy]-2-oxoethyl] 3-methylbut-2-enoate; NSC803880; NSC-803880"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803880	.	.	.	.	524.6	C31H40O7	88.1	957	6.8	38	0	7	11	"InChI=1S/C31H40O7/c1-19(2)16-26(33)35-18-27(34)36-24-17-31(20(3)4)29(28-21(5)12-14-23(28)30(24,6)38-31)37-25(32)15-13-22-10-8-7-9-11-22/h7-11,13,15-16,20-21,23-24,28-29H,12,14,17-18H2,1-6H3/b15-13+/t21-,23-,24-,28-,29+,30+,31-/m1/s1"	C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]([C@@]3(C[C@H]([C@]2(O3)C)OC(=O)COC(=O)C=C(C)C)C(C)C)OC(=O)/C=C/C4=CC=CC=C4	AVGYEYLWRMVZCM-XBHLXOTJSA-N
DG70026	NSC804681	155927029	"[(1R,3aS,5aR,5bR,7aR,9R,10Z,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-10-(pyridin-4-ylmethylidene)-2,3,4,5,6,7,7a,9,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-3a-yl]-(4-methylpiperazin-1-yl)methanone; NSC804681; NSC-804681"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804681	.	.	.	.	627.9	C41H61N3O2	56.7	1240	8.2	46	1	4	3	"InChI=1S/C41H61N3O2/c1-27(2)30-11-16-41(36(46)44-23-21-43(8)22-24-44)18-17-39(6)31(34(30)41)9-10-33-38(5)26-29(25-28-13-19-42-20-14-28)35(45)37(3,4)32(38)12-15-40(33,39)7/h13-14,19-20,25,30-35,45H,1,9-12,15-18,21-24,26H2,2-8H3/b29-25-/t30-,31+,32-,33+,34+,35-,38-,39+,40+,41-/m0/s1"	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(C/C(=C/C6=CC=NC=C6)/[C@@H](C5(C)C)O)C)C)C(=O)N7CCN(CC7)C	RQJYARJVKBIBLA-LWYHPFJUSA-N
DG70027	NSC804035	155927049	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[[4-[[2-(4-methoxyphenyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]methyl]phenyl]methyl]carbamate; NSC804035; NSC-804035"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804035	.	.	.	.	633.7	C33H35N3O8S	152	1210	4.1	45	1	9	9	"InChI=1S/C33H35N3O8S/c1-20-26-15-10-23(5-4-16-33(2)28(44-33)27(26)43-29(20)37)19-42-30(38)34-17-21-6-8-22(9-7-21)18-35-31(39)36(45-32(35)40)24-11-13-25(41-3)14-12-24/h5-9,11-14,26-28H,1,4,10,15-19H2,2-3H3,(H,34,38)/b23-5+/t26-,27-,28-,33+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCC4=CC=C(C=C4)CN5C(=O)N(SC5=O)C6=CC=C(C=C6)OC	WXTDRVUBYPWORP-YQIAPSMSSA-N
DG70028	"(3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]-1-[3-(4-hydroxyiminopiperidin-1-yl)propanoyl]piperidin-4-one"	155927087	NSC805061; NSC-805061	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805061	.	.	.	.	479.5	C27H27F2N3O3	73.2	802	3	35	1	7	5	"InChI=1S/C27H27F2N3O3/c28-23-5-1-19(2-6-23)15-21-17-32(26(33)11-14-31-12-9-25(30-35)10-13-31)18-22(27(21)34)16-20-3-7-24(29)8-4-20/h1-8,15-16,35H,9-14,17-18H2/b21-15+,22-16+"	C1C(=NO)CCN(C1)CCC(=O)N2C/C(=C\\C3=CC=C(C=C3)F)/C(=O)/C(=C/C4=CC=C(C=C4)F)/C2	DTQRNNYGDOOFIN-YHARCJFQSA-N
DG70029	1-(2-Phenylethyl)-3-[6-(2-phenylethylcarbamoylamino)acridin-3-yl]urea	155927107	NSC804286; NSC-804286	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804286	.	.	.	.	503.6	C31H29N5O2	95.2	691	5.5	38	4	3	8	"InChI=1S/C31H29N5O2/c37-30(32-17-15-22-7-3-1-4-8-22)34-26-13-11-24-19-25-12-14-27(21-29(25)36-28(24)20-26)35-31(38)33-18-16-23-9-5-2-6-10-23/h1-14,19-21H,15-18H2,(H2,32,34,37)(H2,33,35,38)"	C1=CC=C(C=C1)CCNC(=O)NC2=CC3=C(C=C2)C=C4C=CC(=CC4=N3)NC(=O)NCCC5=CC=CC=C5	XBFYLERRLQRRFQ-UHFFFAOYSA-N
DG70030	"2-amino-4-(3,5-dimethoxyphenyl)-9-hydroxy-4H-benzo[h]chromene-3-carbonitrile"	155927118	NSC805531; NSC-805531	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805531	.	.	.	.	374.4	C22H18N2O4	97.7	644	4.1	28	2	6	3	"InChI=1S/C22H18N2O4/c1-26-15-7-13(8-16(10-15)27-2)20-17-6-4-12-3-5-14(25)9-18(12)21(17)28-22(24)19(20)11-23/h3-10,20,25H,24H2,1-2H3"	COC1=CC(=CC(=C1)C2C3=C(C4=C(C=CC(=C4)O)C=C3)OC(=C2C#N)N)OC	CIQPFGXIZMKWEQ-UHFFFAOYSA-N
DG70031	NSC804707	155927167	"(2S)-2-[(3Z,5R,8R,9R,10R,13R,14R,17S)-3-hydroxyimino-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-ol; NSC804707; NSC-804707"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804707	.	.	.	.	457.7	C30H51NO2	52.8	825	8.5	33	2	3	4	"InChI=1S/C30H51NO2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31-33)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32-33H,9,11-19H2,1-8H3/b31-25-/t21-,22+,23+,24-,27+,28-,29-,30+/m1/s1"	CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC/C(=N/O)/C4(C)C)C)C)C)O)C	RBYYSFHUZLSBNN-RIIVQBDRSA-N
DG70032	"N-[[4-[(3,5-dioxo-2-pentyl-1,2,4-thiadiazolidin-4-yl)methyl]phenyl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide"	155927169	NSC804761; NSC808688; NSC-804761; NSC-808688	.	.	Investigative Drug(s)	Investigative	Small molecular drug	808688	.	.	.	.	495.7	C28H37N3O3S	95	700	6.2	35	1	4	12	"InChI=1S/C28H37N3O3S/c1-5-6-7-16-31-27(33)30(28(34)35-31)19-24-10-8-23(9-11-24)18-29-26(32)21(4)25-14-12-22(13-15-25)17-20(2)3/h8-15,20-21H,5-7,16-19H2,1-4H3,(H,29,32)"	CCCCCN1C(=O)N(C(=O)S1)CC2=CC=C(C=C2)CNC(=O)C(C)C3=CC=C(C=C3)CC(C)C	JLLQDVHKVFPTIV-UHFFFAOYSA-N
DG70033	NSC804688	155927175	"(4aS,6aR,6aS,6bR,8aR,10R,11Z,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-11-(pyridin-3-ylmethylidene)-3,4,5,6,6a,7,8,8a,10,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid; NSC804688; NSC-804688"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804688	.	.	.	.	545.8	C36H51NO3	70.4	1120	7.7	40	2	4	2	"InChI=1S/C36H51NO3/c1-31(2)14-16-36(30(39)40)17-15-34(6)25(26(36)21-31)10-11-28-33(5)20-24(19-23-9-8-18-37-22-23)29(38)32(3,4)27(33)12-13-35(28,34)7/h8-10,18-19,22,26-29,38H,11-17,20-21H2,1-7H3,(H,39,40)/b24-19-/t26-,27-,28+,29-,33-,34+,35+,36-/m0/s1"	C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C/C(=C/C6=CN=CC=C6)/[C@@H](C3(C)C)O)C	OIHCHOFNUDLYFH-YVHNJIBDSA-N
DG70034	"6-chloro-2-methyl-N-[(E)-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylideneamino]quinolin-4-amine"	155927189	NSC804986; NSC-804986	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804986	.	.	.	.	376.8	C21H17ClN4O	63.3	512	5.6	27	1	5	4	"InChI=1S/C21H17ClN4O/c1-13-10-19(17-11-16(22)8-9-18(17)24-13)26-23-12-20-14(2)27-21(25-20)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,24,26)/b23-12+"	CC1=CC(=C2C=C(C=CC2=N1)Cl)N/N=C/C3=C(OC(=N3)C4=CC=CC=C4)C	KRSMOTNIBNKBSX-FSJBWODESA-N
DG70035	"(3E,5E)-1-[3-(4-hydroxyiminopiperidin-1-yl)propanoyl]-3,5-bis[(4-nitrophenyl)methylidene]piperidin-4-one"	155927230	NSC805068; NSC-805068	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805068	.	.	.	.	533.5	C27H27N5O7	165	962	2.4	39	1	9	5	"InChI=1S/C27H27N5O7/c33-26(11-14-29-12-9-23(28-35)10-13-29)30-17-21(15-19-1-5-24(6-2-19)31(36)37)27(34)22(18-30)16-20-3-7-25(8-4-20)32(38)39/h1-8,15-16,35H,9-14,17-18H2/b21-15+,22-16+"	C1C(=NO)CCN(C1)CCC(=O)N2C/C(=C\\C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)/C(=C/C4=CC=C(C=C4)[N+](=O)[O-])/C2	HXPRXQZFNLRYFC-YHARCJFQSA-N
DG70036	NSC803879	155927284	"[2-[[(1S,2R,5R,6R,7S,8R,10R)-1,5-dimethyl-7-[(E)-3-phenylprop-2-enoyl]oxy-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy]-2-oxoethyl] hexanoate; NSC803879; NSC-803879"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803879	.	.	.	.	540.7	C32H44O7	88.1	906	7.3	39	0	7	14	"InChI=1S/C32H44O7/c1-6-7-9-14-26(33)36-20-28(35)37-25-19-32(21(2)3)30(29-22(4)15-17-24(29)31(25,5)39-32)38-27(34)18-16-23-12-10-8-11-13-23/h8,10-13,16,18,21-22,24-25,29-30H,6-7,9,14-15,17,19-20H2,1-5H3/b18-16+/t22-,24-,25-,29-,30+,31+,32-/m1/s1"	CCCCCC(=O)OCC(=O)O[C@@H]1C[C@]2([C@H]([C@@H]3[C@@H](CC[C@H]3[C@@]1(O2)C)C)OC(=O)/C=C/C4=CC=CC=C4)C(C)C	ADDYXRJAOHCVHG-BEHXIQGFSA-N
DG70037	NSC804741	155927313	"(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxamide; NSC804741; NSC-804741"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804741	.	.	.	.	582.9	C36H62N4O2	96.2	1060	5.8	42	4	5	10	"InChI=1S/C36H62N4O2/c1-24(2)25-10-15-36(31(42)40-23-22-39-21-20-38-19-18-37)17-16-34(6)26(30(25)36)8-9-28-33(5)13-12-29(41)32(3,4)27(33)11-14-35(28,34)7/h25-28,30,38-39H,1,8-23,37H2,2-7H3,(H,40,42)/t25-,26+,27-,28+,30+,33-,34+,35+,36-/m0/s1"	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C(=O)NCCNCCNCCN	ZRVPKFUHANBQHL-BYRIPPSCSA-N
DG70038	"6-bromo-N-[(E)-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylideneamino]-2-methylquinolin-4-amine"	155927322	NSC804985; NSC-804985	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804985	.	.	.	.	455.7	C21H16BrClN4O	63.3	545	6.3	28	1	5	4	"InChI=1S/C21H16BrClN4O/c1-12-9-19(17-10-15(22)5-8-18(17)25-12)27-24-11-20-13(2)28-21(26-20)14-3-6-16(23)7-4-14/h3-11H,1-2H3,(H,25,27)/b24-11+"	CC1=CC(=C2C=C(C=CC2=N1)Br)N/N=C/C3=C(OC(=N3)C4=CC=C(C=C4)Cl)C	BPPIEVZTGUWYJI-BHGWPJFGSA-N
DG70039	"3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-(1-hydroxyethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide"	155927358	CHEMBL4758394; NSC805055; NSC-805055	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805055	.	.	.	.	385.4	C19H19N3O4S	135	553	2.9	27	3	7	3	"InChI=1S/C19H19N3O4S/c1-9-11(10(2)23)8-12-15(20)17(27-19(12)21-9)18(24)22-13-4-3-5-14-16(13)26-7-6-25-14/h3-5,8,10,23H,6-7,20H2,1-2H3,(H,22,24)"	CC1=C(C=C2C(=C(SC2=N1)C(=O)NC3=C4C(=CC=C3)OCCO4)N)C(C)O	BTLFEKLNKHBDFI-UHFFFAOYSA-N
DG70040	"(3E,5E)-1-[3-(4-hydroxyiminopiperidin-1-yl)propanoyl]-3,5-bis[(4-methylphenyl)methylidene]piperidin-4-one"	155927359	NSC805064; NSC-805064	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805064	.	.	.	.	471.6	C29H33N3O3	73.2	791	3.5	35	1	5	5	"InChI=1S/C29H33N3O3/c1-21-3-7-23(8-4-21)17-25-19-32(28(33)13-16-31-14-11-27(30-35)12-15-31)20-26(29(25)34)18-24-9-5-22(2)6-10-24/h3-10,17-18,35H,11-16,19-20H2,1-2H3/b25-17+,26-18+"	CC1=CC=C(C=C1)/C=C\\2/C(=O)/C(=C/C3=CC=C(C=C3)C)/CN(C2)C(=O)CCN4CCC(=NO)CC4	DCAIPQZSGNLTID-RPCRKUJJSA-N
DG70041	NSC804131	155927370	"[2-[[(1S,2R,5R,6R,7S,8R,10R)-1,5-dimethyl-7-[(E)-3-phenylprop-2-enoyl]oxy-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy]-2-oxoethyl] (E)-3-phenylprop-2-enoate; NSC804131; NSC-804131"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804131	.	.	.	.	572.7	C35H40O7	88.1	1040	7.4	42	0	7	12	"InChI=1S/C35H40O7/c1-23(2)35-21-28(40-31(38)22-39-29(36)19-16-25-11-7-5-8-12-25)34(4,42-35)27-18-15-24(3)32(27)33(35)41-30(37)20-17-26-13-9-6-10-14-26/h5-14,16-17,19-20,23-24,27-28,32-33H,15,18,21-22H2,1-4H3/b19-16+,20-17+/t24-,27-,28-,32-,33+,34+,35-/m1/s1"	C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]([C@@]3(C[C@H]([C@]2(O3)C)OC(=O)COC(=O)/C=C/C4=CC=CC=C4)C(C)C)OC(=O)/C=C/C5=CC=CC=C5	AJEXAVNQQVWZOW-FMAYXNHXSA-N
DG70042	NSC803877	155927410	"[2-[[(1S,2R,5R,6R,7S,8R,10R)-1,5-dimethyl-7-[(E)-3-phenylprop-2-enoyl]oxy-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy]-2-oxoethyl] benzoate; NSC803877; NSC-803877"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803877	.	.	.	.	546.6	C33H38O7	88.1	962	7	40	0	7	11	"InChI=1S/C33H38O7/c1-21(2)33-19-26(38-28(35)20-37-31(36)24-13-9-6-10-14-24)32(4,40-33)25-17-15-22(3)29(25)30(33)39-27(34)18-16-23-11-7-5-8-12-23/h5-14,16,18,21-22,25-26,29-30H,15,17,19-20H2,1-4H3/b18-16+/t22-,25-,26-,29-,30+,32+,33-/m1/s1"	C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]([C@@]3(C[C@H]([C@]2(O3)C)OC(=O)COC(=O)C4=CC=CC=C4)C(C)C)OC(=O)/C=C/C5=CC=CC=C5	OPOPGKABCJCILM-CEZQUNQDSA-N
DG70043	NSC804737	155927438	"methyl (1R,3aS,5aR,5bR,7aR,9E,11aR,11bR,13aR,13bR)-9-[3-(2-cyanoethoxyamino)-3-(2-cyanoethylimino)propoxy]imino-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate; NSC804737; NSC-804737"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804737	.	.	.	.	675.9	C40H61N5O4	129	1440	7.6	49	1	8	13	"InChI=1S/C40H61N5O4/c1-27(2)28-13-19-40(35(46)47-8)21-20-38(6)29(34(28)40)11-12-31-37(5)17-15-32(36(3,4)30(37)14-18-39(31,38)7)44-49-26-16-33(43-24-9-22-41)45-48-25-10-23-42/h28-31,34H,1,9-21,24-26H2,2-8H3,(H,43,45)/b44-32+/t28-,29+,30-,31+,34+,37-,38+,39+,40-/m0/s1"	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC/C(=N\\OCCC(=NCCC#N)NOCCC#N)/C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C(=O)OC	UOCNZSUEFZRWKH-JUKFBVSWSA-N
DG70044	"N-[[4-[[2-(3-chloropropyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]methyl]phenyl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide"	155927442	NSC804762; NSC808689; NSC-804762; NSC-808689	.	.	Investigative Drug(s)	Investigative	Small molecular drug	808689	.	.	.	.	502.1	C26H32ClN3O3S	95	691	5.3	34	1	4	11	"InChI=1S/C26H32ClN3O3S/c1-18(2)15-20-9-11-23(12-10-20)19(3)24(31)28-16-21-5-7-22(8-6-21)17-29-25(32)30(14-4-13-27)34-26(29)33/h5-12,18-19H,4,13-17H2,1-3H3,(H,28,31)"	CC(C)CC1=CC=C(C=C1)C(C)C(=O)NCC2=CC=C(C=C2)CN3C(=O)N(SC3=O)CCCCl	WWEQDGKIRCNWEM-UHFFFAOYSA-N
DG70045	"(3E)-3-benzylidene-4,8a-dihydroxychromene-5,6-dione"	155927463	NSC804067; NSC-804067	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804067	.	.	.	.	284.26	C16H12O5	83.8	578	0.7	21	2	5	1	"InChI=1S/C16H12O5/c17-12-6-7-16(20)13(15(12)19)14(18)11(9-21-16)8-10-4-2-1-3-5-10/h1-8,18,20H,9H2/b11-8+"	C1/C(=C\\C2=CC=CC=C2)/C(=C3C(=O)C(=O)C=CC3(O1)O)O	FKRUKIAVTAFEFP-DHZHZOJOSA-N
DG70046	"(3E,5E)-1-[3-(4-hydroxyiminopiperidin-1-yl)propanoyl]-3,5-bis[(4-methoxyphenyl)methylidene]piperidin-4-one"	155927499	NSC805065; NSC-805065	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805065	.	.	.	.	503.6	C29H33N3O5	91.7	826	2.7	37	1	7	7	"InChI=1S/C29H33N3O5/c1-36-26-7-3-21(4-8-26)17-23-19-32(28(33)13-16-31-14-11-25(30-35)12-15-31)20-24(29(23)34)18-22-5-9-27(37-2)10-6-22/h3-10,17-18,35H,11-16,19-20H2,1-2H3/b23-17+,24-18+"	COC1=CC=C(C=C1)/C=C\\2/C(=O)/C(=C/C3=CC=C(C=C3)OC)/CN(C2)C(=O)CCN4CCC(=NO)CC4	YAMSIVKSOIYFHQ-GJHDBBOXSA-N
DG70047	NSC803878	155927556	"[(1S,2R,5R,6R,7S,8R,10R)-10-(2-acetyloxyacetyl)oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-yl] (E)-3-phenylprop-2-enoate; NSC803878; NSC-803878"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803878	.	.	.	.	484.6	C28H36O7	88.1	844	5.3	35	0	7	10	"InChI=1S/C28H36O7/c1-17(2)28-15-22(33-24(31)16-32-19(4)29)27(5,35-28)21-13-11-18(3)25(21)26(28)34-23(30)14-12-20-9-7-6-8-10-20/h6-10,12,14,17-18,21-22,25-26H,11,13,15-16H2,1-5H3/b14-12+/t18-,21-,22-,25-,26+,27+,28-/m1/s1"	C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]([C@@]3(C[C@H]([C@]2(O3)C)OC(=O)COC(=O)C)C(C)C)OC(=O)/C=C/C4=CC=CC=C4	IGKXBIQGAKBERA-VFXINDROSA-N
DG70048	NSC804720	155927583	"methyl (1R,2S,5S,8R,10R,14R,15S,21R)-1,2,5,8,15,20,20-heptamethyl-13,18-dioxo-19-azapentacyclo[12.9.0.02,11.05,10.015,21]tricos-11-ene-8-carboxylate; NSC804720; NSC-804720"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804720	.	.	.	.	497.7	C31H47NO4	72.5	1050	5.5	36	1	4	2	"InChI=1S/C31H47NO4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(34)32-26)21(33)17-19-20-18-28(4,25(35)36-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22,24H,9-16,18H2,1-8H3,(H,32,34)/t20-,22-,24+,27+,28+,29-,30+,31+/m0/s1"	C[C@]12CC[C@@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CCC(=O)NC([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)(C)C(=O)OC	CYUCLYHOVBVQBP-PSMPQUJESA-N
DG70049	NSC804702	155927596	"(4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-N-prop-2-ynylpentanamide; NSC804702; NSC-804702"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804702	.	.	.	.	411.6	C27H41NO2	46.2	734	5.7	30	1	2	5	"InChI=1S/C27H41NO2/c1-5-16-28-25(30)11-6-18(2)22-9-10-23-21-8-7-19-17-20(29)12-14-26(19,3)24(21)13-15-27(22,23)4/h1,18-19,21-24H,6-17H2,2-4H3,(H,28,30)/t18-,19-,21+,22-,23+,24+,26+,27-/m1/s1"	C[C@H](CCC(=O)NCC#C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C	ZSPTZUTVEGUSMZ-PICCOZGHSA-N
DG70050	"6-bromo-N-[(E)-[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methylideneamino]-2-methylquinolin-4-amine"	155927606	NSC804991; NSC-804991	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804991	.	.	.	.	500.2	C21H16Br2N4O	63.3	543	6.4	28	1	5	4	"InChI=1S/C21H16Br2N4O/c1-12-9-19(17-10-16(23)7-8-18(17)25-12)27-24-11-20-13(2)28-21(26-20)14-3-5-15(22)6-4-14/h3-11H,1-2H3,(H,25,27)/b24-11+"	CC1=CC(=C2C=C(C=CC2=N1)Br)N/N=C/C3=C(OC(=N3)C4=CC=C(C=C4)Br)C	VGFAUYXXDQXNMG-BHGWPJFGSA-N
DG70051	NSC804032	155927619	"[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[[4-[[2-(3-iodopropyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]methyl]phenyl]methyl]carbamate; NSC804032; NSC-804032"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804032	.	.	.	.	695.6	C29H34IN3O7S	143	1090	4	41	1	8	10	"InChI=1S/C29H34IN3O7S/c1-18-22-11-10-21(5-3-12-29(2)24(40-29)23(22)39-25(18)34)17-38-26(35)31-15-19-6-8-20(9-7-19)16-32-27(36)33(14-4-13-30)41-28(32)37/h5-9,22-24H,1,3-4,10-17H2,2H3,(H,31,35)/b21-5+/t22-,23-,24-,29+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3=C)/COC(=O)NCC4=CC=C(C=C4)CN5C(=O)N(SC5=O)CCCI	PSDJKHWREXOCJU-LKBGUSNKSA-N
DG70052	"N-[[4-[[2-(3-iodopropyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]methyl]phenyl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide"	155927738	NSC804765; NSC808690; NSC-804765; NSC-808690	.	.	Investigative Drug(s)	Investigative	Small molecular drug	808690	.	.	.	.	593.5	C26H32IN3O3S	95	691	5.8	34	1	4	11	"InChI=1S/C26H32IN3O3S/c1-18(2)15-20-9-11-23(12-10-20)19(3)24(31)28-16-21-5-7-22(8-6-21)17-29-25(32)30(14-4-13-27)34-26(29)33/h5-12,18-19H,4,13-17H2,1-3H3,(H,28,31)"	CC(C)CC1=CC=C(C=C1)C(C)C(=O)NCC2=CC=C(C=C2)CN3C(=O)N(SC3=O)CCCI	SOUSLJWTOPNNSQ-UHFFFAOYSA-N
DG70053	NSC804700	155927743	"3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-3-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]-N-prop-2-ynylpropanamide; NSC804700; NSC-804700"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804700	.	.	.	.	495.8	C33H53NO2	49.3	921	8.5	36	2	2	9	"InChI=1S/C33H53NO2/c1-10-22-34-29(35)17-19-30(6)25(24(4)5)15-21-32(8)28(30)14-13-26-27(16-20-31(26,32)7)33(9,36)18-11-12-23(2)3/h1,12,25-28,36H,4,11,13-22H2,2-3,5-9H3,(H,34,35)/t25-,26+,27-,28+,30-,31+,32+,33-/m0/s1"	CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1CC[C@H]3[C@]2(CC[C@H]([C@]3(C)CCC(=O)NCC#C)C(=C)C)C)C)O)C	JYCZPSHGAOFECD-HEFVRZJBSA-N
DG70054	(Z)-3-[4-(dimethylamino)phenyl]-2-(1H-indol-2-yl)prop-2-enenitrile	155927754	NSC803905; NSC-803905	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803905	.	.	.	.	287.4	C19H17N3	42.8	451	4	22	1	2	3	"InChI=1S/C19H17N3/c1-22(2)17-9-7-14(8-10-17)11-16(13-20)19-12-15-5-3-4-6-18(15)21-19/h3-12,21H,1-2H3/b16-11+"	CN(C)C1=CC=C(C=C1)/C=C(\\C#N)/C2=CC3=CC=CC=C3N2	VYGYRTDFFJRAFP-LFIBNONCSA-N
DG70055	"(3E,5E)-3,5-dibenzylidene-1-[3-[(3E,5E)-3,5-dibenzylidene-4-oxopiperidin-1-yl]-3-oxopropyl]piperidin-4-one"	155927799	NSC805069; NSC-805069	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805069	.	.	.	.	604.7	C41H36N2O3	57.7	1120	6.4	46	0	4	7	"InChI=1S/C41H36N2O3/c44-39(43-29-37(25-33-17-9-3-10-18-33)41(46)38(30-43)26-34-19-11-4-12-20-34)21-22-42-27-35(23-31-13-5-1-6-14-31)40(45)36(28-42)24-32-15-7-2-8-16-32/h1-20,23-26H,21-22,27-30H2/b35-23+,36-24+,37-25+,38-26+"	C\\1N(C/C(=C\\C2=CC=CC=C2)/C(=O)/C1=C/C3=CC=CC=C3)CCC(=O)N4C/C(=C\\C5=CC=CC=C5)/C(=O)/C(=C/C6=CC=CC=C6)/C4	OPGKKEWLRQGNPZ-WLTUPMONSA-N
DG70056	"(3E,5E)-1-[3-(4-hydroxyiminopiperidin-1-yl)propanoyl]-3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one"	155927800	NSC805066; NSC-805066	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805066	.	.	.	.	623.7	C33H41N3O9	129	999	2.6	45	1	11	11	"InChI=1S/C33H41N3O9/c1-40-26-15-21(16-27(41-2)32(26)44-5)13-23-19-36(30(37)9-12-35-10-7-25(34-39)8-11-35)20-24(31(23)38)14-22-17-28(42-3)33(45-6)29(18-22)43-4/h13-18,39H,7-12,19-20H2,1-6H3/b23-13+,24-14+"	COC1=CC(=CC(=C1OC)OC)/C=C\\2/C(=O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/CN(C2)C(=O)CCN4CCC(=NO)CC4	NEIPOFLOSRATCT-RNIAWFEPSA-N
DG70057	"(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-[3-(4-hydroxyiminopiperidin-1-yl)propanoyl]piperidin-4-one"	155927803	NSC805063; NSC-805063	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805063	.	.	.	.	581.3	C27H25Cl4N3O3	73.2	882	5.3	37	1	5	5	"InChI=1S/C27H25Cl4N3O3/c28-22-3-1-17(13-24(22)30)11-19-15-34(26(35)7-10-33-8-5-21(32-37)6-9-33)16-20(27(19)36)12-18-2-4-23(29)25(31)14-18/h1-4,11-14,37H,5-10,15-16H2/b19-11+,20-12+"	C1C(=NO)CCN(C1)CCC(=O)N2C/C(=C\\C3=CC(=C(C=C3)Cl)Cl)/C(=O)/C(=C/C4=CC(=C(C=C4)Cl)Cl)/C2	RDLWSUOMJSFXKE-AYKLPDECSA-N
DG70058	"(3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]-1-[3-(4-hydroxyiminopiperidin-1-yl)propanoyl]piperidin-4-one"	155927804	NSC805062; NSC-805062	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805062	.	.	.	.	512.4	C27H27Cl2N3O3	73.2	802	4	35	1	5	5	"InChI=1S/C27H27Cl2N3O3/c28-23-5-1-19(2-6-23)15-21-17-32(26(33)11-14-31-12-9-25(30-35)10-13-31)18-22(27(21)34)16-20-3-7-24(29)8-4-20/h1-8,15-16,35H,9-14,17-18H2/b21-15+,22-16+"	C1C(=NO)CCN(C1)CCC(=O)N2C/C(=C\\C3=CC=C(C=C3)Cl)/C(=O)/C(=C/C4=CC=C(C=C4)Cl)/C2	DZUVIDDUUZODCZ-YHARCJFQSA-N
DG70059	NSC804687	155927893	"(1R,3aS,5aR,5bR,7aR,9R,10Z,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-10-(pyridin-3-ylmethylidene)-2,3,4,5,6,7,7a,9,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxamide; NSC804687; NSC-804687"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804687	.	.	.	.	544.8	C36H52N2O2	76.2	1090	7.8	40	2	3	3	"InChI=1S/C36H52N2O2/c1-22(2)25-12-15-36(31(37)40)17-16-34(6)26(29(25)36)10-11-28-33(5)20-24(19-23-9-8-18-38-21-23)30(39)32(3,4)27(33)13-14-35(28,34)7/h8-9,18-19,21,25-30,39H,1,10-17,20H2,2-7H3,(H2,37,40)/b24-19-/t25-,26+,27-,28+,29+,30-,33-,34+,35+,36-/m0/s1"	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(C/C(=C/C6=CN=CC=C6)/[C@@H](C5(C)C)O)C)C)C(=O)N	VZCIPXOELFYQSN-PYUBZCLHSA-N
DG70060	"6-chloro-N-[(E)-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylideneamino]-2-methylquinolin-4-amine"	155927899	NSC804984; NSC-804984	.	.	Investigative Drug(s)	Investigative	Small molecular drug	804984	.	.	.	.	411.3	C21H16Cl2N4O	63.3	543	6.3	28	1	5	4	"InChI=1S/C21H16Cl2N4O/c1-12-9-19(17-10-16(23)7-8-18(17)25-12)27-24-11-20-13(2)28-21(26-20)14-3-5-15(22)6-4-14/h3-11H,1-2H3,(H,25,27)/b24-11+"	CC1=CC(=C2C=C(C=CC2=N1)Cl)N/N=C/C3=C(OC(=N3)C4=CC=C(C=C4)Cl)C	IPTXBPQUXAMILJ-BHGWPJFGSA-N
DG70061	"(2S,3R)-1-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]-3-hydroxy-N-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide"	156068882	ART558; 2603528-97-6; SCHEMBL22980707; EX-A5345; NSC835418; NSC-835418; HY-141520; CS-0179393	.	.	Investigative Drug(s)	Investigative	Small molecular drug	835418	.	.	.	.	418.4	C21H21F3N4O2	80.5	679	3.9	30	1	8	3	"InChI=1S/C21H21F3N4O2/c1-12-5-4-6-14(9-12)27(3)20(30)18-17(29)7-8-28(18)19-15(11-25)16(21(22,23)24)10-13(2)26-19/h4-6,9-10,17-18,29H,7-8H2,1-3H3/t17-,18+/m1/s1"	CC1=CC(=CC=C1)N(C)C(=O)[C@@H]2[C@@H](CCN2C3=NC(=CC(=C3C#N)C(F)(F)F)C)O	YHMDHAMZFMNMTF-MSOLQXFVSA-N
DG70062	"2-[(3-chloro-2-methylbenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide"	156597340	NSC806405; NSC-806405	.	.	Investigative Drug(s)	Investigative	Small molecular drug	806405	.	.	.	.	494.9	C22H18ClF3N4O2S	103	730	4.8	33	2	7	3	"InChI=1S/C22H18ClF3N4O2S/c1-12-15(6-3-7-16(12)23)19(31)29-20-28-17-8-9-30(11-18(17)33-20)21(32)27-14-5-2-4-13(10-14)22(24,25)26/h2-7,10H,8-9,11H2,1H3,(H,27,32)(H,28,29,31)"	CC1=C(C=CC=C1Cl)C(=O)NC2=NC3=C(S2)CN(CC3)C(=O)NC4=CC=CC(=C4)C(F)(F)F	UAQYDKKMVHQMIX-UHFFFAOYSA-N
DG70063	N-(5-methoxynaphthalen-2-yl)-N-methylquinazolin-4-amine	156597418	NSC806467; NSC-806467	.	.	Investigative Drug(s)	Investigative	Small molecular drug	806467	.	.	.	.	315.4	C20H17N3O	38.2	418	4.8	24	0	4	3	"InChI=1S/C20H17N3O/c1-23(20-17-7-3-4-8-18(17)21-13-22-20)15-10-11-16-14(12-15)6-5-9-19(16)24-2/h3-13H,1-2H3"	CN(C1=CC2=C(C=C1)C(=CC=C2)OC)C3=NC=NC4=CC=CC=C43	HELYUAQHXHRESA-UHFFFAOYSA-N
DG70064	NSC806889	156597447	"(2Z,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-(morpholine-4-carbonyl)-2-(pyridin-4-ylmethylidene)-1,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydropicen-3-one; NSC806889; NSC-806889"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	806889	.	.	.	.	612.9	C40H56N2O3	59.5	1280	7.7	45	0	4	2	"InChI=1S/C40H56N2O3/c1-35(2)14-16-40(34(44)42-20-22-45-23-21-42)17-15-38(6)29(30(40)26-35)8-9-32-37(5)25-28(24-27-11-18-41-19-12-27)33(43)36(3,4)31(37)10-13-39(32,38)7/h8,11-12,18-19,24,30-32H,9-10,13-17,20-23,25-26H2,1-7H3/b28-24-/t30-,31-,32+,37-,38+,39+,40-/m0/s1"	C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)N6CCOCC6)C)(C/C(=C/C7=CC=NC=C7)/C(=O)C3(C)C)C	PXVJZUWJBWMOGW-RIDAPSPQSA-N
DG70065	NSC806468	156597463	"[(1S,2S,4R,7E,11S)-12-[(dimethylamino)methyl]-4-methyl-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[[4-[[2-(3-iodopropyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]methyl]phenyl]methyl]carbamate; NSC806468; NSC-806468"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	806468	.	.	.	.	740.7	C31H41IN4O7S	146	1120	3.6	44	1	9	12	"InChI=1S/C31H41IN4O7S/c1-31-13-4-6-22(11-12-23-24(18-34(2)3)27(37)42-25(23)26(31)43-31)19-41-28(38)33-16-20-7-9-21(10-8-20)17-35-29(39)36(15-5-14-32)44-30(35)40/h6-10,23-26H,4-5,11-19H2,1-3H3,(H,33,38)/b22-6+/t23-,24 ,25-,26-,31+/m0/s1"	C[C@@]12CC/C=C(\\CC[C@@H]3[C@@H]([C@@H]1O2)OC(=O)C3CN(C)C)/COC(=O)NCC4=CC=C(C=C4)CN5C(=O)N(SC5=O)CCCI	NZACETAXMVCYDG-BSGIDSLMSA-N
DG70066	NSC806827	156597555	"[(1R,2R,5S,8R,9R,10R,13R,14R,20R)-18-acetyl-1,2,14,19,19-pentamethyl-8-prop-1-en-2-yl-18-azapentacyclo[11.9.0.02,10.05,9.014,20]docosan-5-yl]methyl acetate; NSC806827; NSC-806827"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	806827	.	.	.	.	525.8	C34H55NO3	46.6	1000	8.2	38	0	3	4	"InChI=1S/C34H55NO3/c1-22(2)25-13-17-34(21-38-24(4)37)19-18-32(8)26(29(25)34)11-12-28-31(7)15-10-20-35(23(3)36)30(5,6)27(31)14-16-33(28,32)9/h25-29H,1,10-21H2,2-9H3/t25-,26+,27-,28+,29+,31-,32+,33+,34+/m0/s1"	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCCN(C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C(=O)C)C)COC(=O)C	NUFAVFRMTAUMJU-LICNLFLSSA-N
DG70067	"2-[3-(Diethylamino)propyl]-6-hydroxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione"	156597588	NSC805955; NSC-805955	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805955	.	.	.	.	394.5	C23H26N2O4	74	636	4.1	29	1	5	6	"InChI=1S/C23H26N2O4/c1-5-24(6-2)10-7-11-25-22(27)19-13(3)18-16-12-15(26)8-9-17(16)29-21(18)14(4)20(19)23(25)28/h8-9,12,26H,5-7,10-11H2,1-4H3"	CCN(CC)CCCN1C(=O)C2=C(C1=O)C(=C3C(=C2C)C4=C(O3)C=CC(=C4)O)C	DNNYBIJIALMNBT-UHFFFAOYSA-N
DG70068	"2-[3-(Diethylamino)propyl]-7-hydroxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione"	156597589	NSC805953; NSC-805953	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805953	.	.	.	.	394.5	C23H26N2O4	74	636	4.1	29	1	5	6	"InChI=1S/C23H26N2O4/c1-5-24(6-2)10-7-11-25-22(27)19-13(3)18-16-9-8-15(26)12-17(16)29-21(18)14(4)20(19)23(25)28/h8-9,12,26H,5-7,10-11H2,1-4H3"	CCN(CC)CCCN1C(=O)C2=C(C1=O)C(=C3C(=C2C)C4=C(O3)C=C(C=C4)O)C	JAXGYHXUBWXHPB-UHFFFAOYSA-N
DG70069	"2-iodo-N-(2-oxo-3-phenyl-5H-pyrano[3,2-c]chromen-5-yl)acetamide"	156597615	NSC806289; NSC-806289	.	.	Investigative Drug(s)	Investigative	Small molecular drug	806289	.	.	.	.	459.2	C20H14INO4	64.599	650	3.3	26	1	4	3	"InChI=1S/C20H14INO4/c21-11-17(23)22-19-15-10-14(12-6-2-1-3-7-12)20(24)26-18(15)13-8-4-5-9-16(13)25-19/h1-10,19H,11H2,(H,22,23)"	C1=CC=C(C=C1)C2=CC3=C(C4=CC=CC=C4OC3NC(=O)CI)OC2=O	HNTNYGLKEBJUHL-UHFFFAOYSA-N
DG70070	"1-N-[4-[6-(5-aminopyridin-2-yl)oxy-7-methoxyquinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide"	156597645	NSC807000; NSC-807000	.	.	Investigative Drug(s)	Investigative	Small molecular drug	807000	.	.	.	.	579.6	C32H26FN5O5	138	954	5.5	43	3	9	9	"InChI=1S/C32H26FN5O5/c1-41-27-17-25-24(16-28(27)43-29-11-4-20(34)18-36-29)26(12-15-35-25)42-23-9-7-22(8-10-23)38-31(40)32(13-14-32)30(39)37-21-5-2-19(33)3-6-21/h2-12,15-18H,13-14,34H2,1H3,(H,37,39)(H,38,40)"	COC1=CC2=NC=CC(=C2C=C1OC3=NC=C(C=C3)N)OC4=CC=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F	RSHJHSSOHYXDLN-UHFFFAOYSA-N
DG70071	"(5,6,11-Trimethylpyrido[4,3-b]carbazol-9-yl)methanol"	156597839	NSC805957; NSC-805957	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805957	.	.	.	.	290.4	C19H18N2O	38	414	3.4	22	1	2	1	"InChI=1S/C19H18N2O/c1-11-16-9-20-7-6-14(16)12(2)19-18(11)15-8-13(10-22)4-5-17(15)21(19)3/h4-9,22H,10H2,1-3H3"	CC1=C2C=CN=CC2=C(C3=C1N(C4=C3C=C(C=C4)CO)C)C	BLYVGTXMLDIHMT-UHFFFAOYSA-N
DG70072	"3-chloro-2-methyl-N-[5-[4-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide"	156597919	NSC806403; NSC-806403	.	.	Investigative Drug(s)	Investigative	Small molecular drug	806403	.	.	.	.	479.9	C22H17ClF3N3O2S	90.5	704	5.1	32	1	7	3	"InChI=1S/C22H17ClF3N3O2S/c1-12-15(3-2-4-16(12)23)19(30)28-21-27-17-9-10-29(11-18(17)32-21)20(31)13-5-7-14(8-6-13)22(24,25)26/h2-8H,9-11H2,1H3,(H,27,28,30)"	CC1=C(C=CC=C1Cl)C(=O)NC2=NC3=C(S2)CN(CC3)C(=O)C4=CC=C(C=C4)C(F)(F)F	MXQIPYBAPHVBGB-UHFFFAOYSA-N
DG70073	NSC806835	156598017	"[(1R,2S,5S,10S,14R,15R,21R)-1,2,8,8,15,20,20-heptamethyl-19-azapentacyclo[12.9.0.02,11.05,10.015,21]tricos-11-en-5-yl]methyl 4-methylbenzenesulfonate; NSC806835; NSC-806835"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	806835	.	.	.	.	595.9	C37H57NO3S	63.8	1180	9	42	1	4	4	"InChI=1S/C37H57NO3S/c1-26-10-12-27(13-11-26)42(39,40)41-25-37-21-19-32(2,3)24-29(37)28-14-15-31-34(6)17-9-23-38-33(4,5)30(34)16-18-36(31,8)35(28,7)20-22-37/h10-14,29-31,38H,9,15-25H2,1-8H3/t29-,30-,31+,34-,35+,36+,37+/m0/s1"	CC1=CC=C(C=C1)S(=O)(=O)OC[C@@]23CC[C@@]4(C(=CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CCCNC6(C)C)C)C)[C@@H]2CC(CC3)(C)C)C	FHVGWTRMPNJANN-VJRXZTJESA-N
DG70074	"Methyl 1,3-dimethyl-2-oxido-5,8-dioxoisoquinolin-2-ium-4-carboxylate"	156598074	NSC805939; NSC-805939	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805939	.	.	.	.	261.23	C13H11NO5	85.9	458	0	19	0	5	2	"InChI=1S/C13H11NO5/c1-6-10-8(15)4-5-9(16)12(10)11(13(17)19-3)7(2)14(6)18/h4-5H,1-3H3"	CC1=C2C(=O)C=CC(=O)C2=C(C(=[N+]1[O-])C)C(=O)OC	SFWGFABMMRFWPS-UHFFFAOYSA-N
DG70075	NSC805956	156598163	"7-Bromo-13-hydroxy-3,23-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione; NSC805956; NSC-805956"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805956	.	.	.	.	448.3	C22H14BrN3O3	67.5	749	3.9	29	1	3	0	"InChI=1S/C22H14BrN3O3/c1-24-13-6-4-3-5-11(13)15-17-18(22(28)26(29)21(17)27)16-12-9-10(23)7-8-14(12)25(2)20(16)19(15)24/h3-9,29H,1-2H3"	CN1C2=C(C=C(C=C2)Br)C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C)C(=O)N(C4=O)O	QCIGWUKOHCBTSS-UHFFFAOYSA-N
DG70076	NSC805964	156598173	"9,10,11-Trimethoxy-4-(2-piperidin-1-ylethyl)-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione; NSC805964; NSC-805964"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805964	.	.	.	.	487.5	C28H29N3O5	84.1	834	4.4	36	1	6	6	"InChI=1S/C28H29N3O5/c1-34-19-15-17-21-23(28(33)31(27(21)32)14-13-30-11-7-4-8-12-30)20-16-9-5-6-10-18(16)29-24(20)22(17)26(36-3)25(19)35-2/h5-6,9-10,15,29H,4,7-8,11-14H2,1-3H3"	COC1=C(C(=C2C(=C1)C3=C(C4=C2NC5=CC=CC=C54)C(=O)N(C3=O)CCN6CCCCC6)OC)OC	LOVMWUSRFWPBCT-UHFFFAOYSA-N
DG70077	[4-[4-[[1-[(4-Fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-7-methoxyquinolin-6-yl] 4-aminobenzoate	156598209	NSC807003; NSC-807003	.	.	Investigative Drug(s)	Investigative	Small molecular drug	807003	.	.	.	.	606.6	C34H27FN4O6	142	1040	6.1	45	3	9	10	"InChI=1S/C34H27FN4O6/c1-43-29-19-27-26(18-30(29)45-31(40)20-2-6-22(36)7-3-20)28(14-17-37-27)44-25-12-10-24(11-13-25)39-33(42)34(15-16-34)32(41)38-23-8-4-21(35)5-9-23/h2-14,17-19H,15-16,36H2,1H3,(H,38,41)(H,39,42)"	COC1=CC2=NC=CC(=C2C=C1OC(=O)C3=CC=C(C=C3)N)OC4=CC=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F	SCRLASBTYTZCKB-UHFFFAOYSA-N
DG70078	NSC809837	162394739	"(11Z)-3,5-diethyl-11-[[4-(trifluoromethyl)phenyl]methylidene]-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione; NSC809837; NSC-809837"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809837	.	.	.	.	425.4	C18H18F3N5O2S	93.6	763	3.8	29	1	8	3	"InChI=1S/C18H18F3N5O2S/c1-3-24-13-14(25(4-2)17(24)28)26-15(27)12(29-16(26)23-22-13)9-10-5-7-11(8-6-10)18(19,20)21/h5-9,13-14,22H,3-4H2,1-2H3/b12-9-"	CCN1C2C(N(C1=O)CC)N3C(=O)/C(=C/C4=CC=C(C=C4)C(F)(F)F)/SC3=NN2	AYYHGVVYWZZKKQ-XFXZXTDPSA-N
DG70079	"(11Z)-4,6-diethyl-11-(1-methyl-2-oxoindol-3-ylidene)-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione"	162394750	NSC809960; NSC-809960	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809960	.	.	.	.	412.5	C19H20N6O3S	114	857	1	29	1	6	2	"InChI=1S/C19H20N6O3S/c1-4-23-14-15(24(5-2)19(23)28)21-25-17(27)13(29-18(25)20-14)12-10-8-6-7-9-11(10)22(3)16(12)26/h6-9,14-15,21H,4-5H2,1-3H3/b13-12-"	CCN1C2C(N=C3N(N2)C(=O)/C(=C/4\\C5=CC=CC=C5N(C4=O)C)/S3)N(C1=O)CC	MYNLZHLLEHCDSG-SEYXRHQNSA-N
DG70080	"(3E)-5,6-dihydroxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one"	162394758	NSC809686; NSC-809686	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809686	.	.	.	.	298.29	C17H14O5	76	438	3.1	22	2	5	2	"InChI=1S/C17H14O5/c1-21-12-4-2-10(3-5-12)8-11-9-22-14-7-6-13(18)17(20)15(14)16(11)19/h2-8,18,20H,9H2,1H3/b11-8+"	COC1=CC=C(C=C1)/C=C/2\\COC3=C(C2=O)C(=C(C=C3)O)O	LLTRSYFOGQNVMB-DHZHZOJOSA-N
DG70081	"(3E)-3-[(4-chlorophenyl)methylidene]-5,6-dihydroxychromen-4-one"	162394764	NSC809687; NSC-809687	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809687	.	.	.	.	302.71	C16H11ClO4	66.8	428	3.8	21	2	4	1	"InChI=1S/C16H11ClO4/c17-11-3-1-9(2-4-11)7-10-8-21-13-6-5-12(18)16(20)14(13)15(10)19/h1-7,18,20H,8H2/b10-7+"	C1/C(=C\\C2=CC=C(C=C2)Cl)/C(=O)C3=C(O1)C=CC(=C3O)O	CWIWIRLRNDNYIJ-JXMROGBWSA-N
DG70082	"N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[7-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]acetamide"	162394782	NSC810312; NSC-810312	.	.	Investigative Drug(s)	Investigative	Small molecular drug	810312	.	.	.	.	465.5	C28H27N5O2	85.8	719	5	35	1	5	6	"InChI=1S/C28H27N5O2/c1-28(2,3)25-14-26(32-35-25)31-27(34)11-18-5-7-19(8-6-18)22-12-21-10-9-20(13-24(21)29-15-22)23-16-30-33(4)17-23/h5-10,12-17H,11H2,1-4H3,(H,31,32,34)"	CC(C)(C)C1=CC(=NO1)NC(=O)CC2=CC=C(C=C2)C3=CN=C4C=C(C=CC4=C3)C5=CN(N=C5)C	MUTZCVXSOLFOPG-UHFFFAOYSA-N
DG70083	"Methyl 3-methyl-2-oxido-5,8-dioxoisoquinolin-2-ium-4-carboxylate"	162394810	NSC810563; NSC-810563	.	.	Investigative Drug(s)	Investigative	Small molecular drug	810563	.	.	.	.	247.2	C12H9NO5	85.9	430	-0.4	18	0	5	2	"InChI=1S/C12H9NO5/c1-6-10(12(16)18-2)11-7(5-13(6)17)8(14)3-4-9(11)15/h3-5H,1-2H3"	CC1=[N+](C=C2C(=O)C=CC(=O)C2=C1C(=O)OC)[O-]	QOMYCXMIZASPTB-UHFFFAOYSA-N
DG70084	"tert-butyl (3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-4-oxopiperidine-1-carboxylate"	162394825	NSC811161; NSC-811161	.	.	Investigative Drug(s)	Investigative	Small molecular drug	811161	.	.	.	.	403.5	C26H29NO3	46.6	640	5.2	30	0	3	4	"InChI=1S/C26H29NO3/c1-18-6-10-20(11-7-18)14-22-16-27(25(29)30-26(3,4)5)17-23(24(22)28)15-21-12-8-19(2)9-13-21/h6-15H,16-17H2,1-5H3/b22-14+,23-15+"	CC1=CC=C(C=C1)/C=C\\2/C(=O)/C(=C/C3=CC=C(C=C3)C)/CN(C2)C(=O)OC(C)(C)C	FOCFOQBZNGEOSR-HOFJZWJUSA-N
DG70085	"(5,7-dibromo-8-hydroxyquinolin-2-yl)methyl 1H-indole-2-carboxylate"	162394880	NSC807442; NSC-807442	.	.	Investigative Drug(s)	Investigative	Small molecular drug	807442	.	.	.	.	476.1	C19H12Br2N2O3	75.2	523	5.1	26	2	4	4	"InChI=1S/C19H12Br2N2O3/c20-13-8-14(21)18(24)17-12(13)6-5-11(22-17)9-26-19(25)16-7-10-3-1-2-4-15(10)23-16/h1-8,23-24H,9H2"	C1=CC=C2C(=C1)C=C(N2)C(=O)OCC3=NC4=C(C=C3)C(=CC(=C4O)Br)Br	PTEOBTQYHLJPAM-UHFFFAOYSA-N
DG70086	"3-(5-Fluoro-1-methylindol-3-yl)-4-(1-methylindol-3-yl)-1,2,5-oxadiazole"	162394881	NSC807564; NSC-807564	.	.	Investigative Drug(s)	Investigative	Small molecular drug	807564	.	.	.	.	346.4	C20H15FN4O	48.8	522	3.3	26	0	4	2	"InChI=1S/C20H15FN4O/c1-24-10-15(13-5-3-4-6-17(13)24)19-20(23-26-22-19)16-11-25(2)18-8-7-12(21)9-14(16)18/h3-11H,1-2H3"	CN1C=C(C2=C1C=CC(=C2)F)C3=NON=C3C4=CN(C5=CC=CC=C54)C	BNZQQNOGMVUNGX-UHFFFAOYSA-N
DG70087	"(5,7-dibromo-8-hydroxyquinolin-2-yl)methyl 5-methoxy-1H-indole-2-carboxylate"	162394884	NSC807444; NSC-807444	.	.	Investigative Drug(s)	Investigative	Small molecular drug	807444	.	.	.	.	506.1	C20H14Br2N2O4	84.4	568	5	28	2	5	5	"InChI=1S/C20H14Br2N2O4/c1-27-12-3-5-16-10(6-12)7-17(24-16)20(26)28-9-11-2-4-13-14(21)8-15(22)19(25)18(13)23-11/h2-8,24-25H,9H2,1H3"	COC1=CC2=C(C=C1)NC(=C2)C(=O)OCC3=NC4=C(C=C3)C(=CC(=C4O)Br)Br	KQLOOALCHSCJCV-UHFFFAOYSA-N
DG70088	(8-hydroxyquinolin-2-yl)methyl 5-methoxy-1H-indole-2-carboxylate	162394887	NSC807445; NSC-807445	.	.	Investigative Drug(s)	Investigative	Small molecular drug	807445	.	.	.	.	348.4	C20H16N2O4	84.4	502	3.6	26	2	5	5	"InChI=1S/C20H16N2O4/c1-25-15-7-8-16-13(9-15)10-17(22-16)20(24)26-11-14-6-5-12-3-2-4-18(23)19(12)21-14/h2-10,22-23H,11H2,1H3"	COC1=CC2=C(C=C1)NC(=C2)C(=O)OCC3=NC4=C(C=CC=C4O)C=C3	QPSFNDOSJKTNMS-UHFFFAOYSA-N
DG70089	"(11Z)-3,5-diethyl-11-[(4-fluorophenyl)methylidene]-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione"	162394912	NSC809843; NSC-809843	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809843	.	.	.	.	375.4	C17H18FN5O2S	93.6	676	3	26	1	6	3	"InChI=1S/C17H18FN5O2S/c1-3-21-13-14(22(4-2)17(21)25)23-15(24)12(26-16(23)20-19-13)9-10-5-7-11(18)8-6-10/h5-9,13-14,19H,3-4H2,1-2H3/b12-9-"	CCN1C2C(N(C1=O)CC)N3C(=O)/C(=C/C4=CC=C(C=C4)F)/SC3=NN2	RDEFYIPTWZUTMC-XFXZXTDPSA-N
DG70090	(3E)-6-hydroxy-3-[[4-(trifluoromethyl)phenyl]methylidene]chromen-4-one	162394923	NSC809671; NSC-809671	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809671	.	.	.	.	320.26	C17H11F3O3	46.5	478	3.9	23	1	6	1	"InChI=1S/C17H11F3O3/c18-17(19,20)12-3-1-10(2-4-12)7-11-9-23-15-6-5-13(21)8-14(15)16(11)22/h1-8,21H,9H2/b11-7+"	C1/C(=C\\C2=CC=C(C=C2)C(F)(F)F)/C(=O)C3=C(O1)C=CC(=C3)O	ARXFRVWRELOOBX-YRNVUSSQSA-N
DG70091	"(5,7-dichloro-8-hydroxyquinolin-2-yl)methyl 4-(5-methoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate"	162394993	NSC809147; NSC-809147	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809147	.	.	.	.	529.4	C25H22Cl2N4O5	108	800	4.2	36	2	6	5	"InChI=1S/C25H22Cl2N4O5/c1-35-16-3-5-20-14(10-16)11-21(29-20)24(33)30-6-8-31(9-7-30)25(34)36-13-15-2-4-17-18(26)12-19(27)23(32)22(17)28-15/h2-5,10-12,29,32H,6-9,13H2,1H3"	COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCN(CC3)C(=O)OCC4=NC5=C(C=C4)C(=CC(=C5O)Cl)Cl	ZVWJDZAVTQQRPF-UHFFFAOYSA-N
DG70092	"(5,7-dichloro-8-hydroxyquinolin-2-yl)methyl N-[4-[(5,7-dichloro-8-hydroxyquinolin-2-yl)methoxycarbonylamino]butyl]carbamate"	162395000	NSC809139; NSC-809139	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809139	.	.	.	.	628.3	C26H22Cl4N4O6	143	783	5.8	40	4	8	11	"InChI=1S/C26H22Cl4N4O6/c27-17-9-19(29)23(35)21-15(17)5-3-13(33-21)11-39-25(37)31-7-1-2-8-32-26(38)40-12-14-4-6-16-18(28)10-20(30)24(36)22(16)34-14/h3-6,9-10,35-36H,1-2,7-8,11-12H2,(H,31,37)(H,32,38)"	C1=CC2=C(C(=C(C=C2Cl)Cl)O)N=C1COC(=O)NCCCCNC(=O)OCC3=NC4=C(C=C3)C(=CC(=C4O)Cl)Cl	TWVHVCDVRDPBOW-UHFFFAOYSA-N
DG70093	"(5,7-dichloro-8-hydroxyquinolin-2-yl)methyl 1H-indole-2-carboxylate"	162395046	NSC807438; NSC-807438	.	.	Investigative Drug(s)	Investigative	Small molecular drug	807438	.	.	.	.	387.2	C19H12Cl2N2O3	75.2	523	4.9	26	2	4	4	"InChI=1S/C19H12Cl2N2O3/c20-13-8-14(21)18(24)17-12(13)6-5-11(22-17)9-26-19(25)16-7-10-3-1-2-4-15(10)23-16/h1-8,23-24H,9H2"	C1=CC=C2C(=C1)C=C(N2)C(=O)OCC3=NC4=C(C=C3)C(=CC(=C4O)Cl)Cl	DTMGDZDJTHMJDY-UHFFFAOYSA-N
DG70094	"(8-hydroxyquinolin-2-yl)methyl N-[[4-[(3,5-dioxo-2-phenyl-1,2,4-thiadiazolidin-4-yl)methyl]phenyl]methyl]carbamate"	162395085	NSC808687; NSC-808687	.	.	Investigative Drug(s)	Investigative	Small molecular drug	808687	.	.	.	.	514.6	C27H22N4O5S	137	817	4	37	2	7	8	"InChI=1S/C27H22N4O5S/c32-23-8-4-5-20-13-14-21(29-24(20)23)17-36-25(33)28-15-18-9-11-19(12-10-18)16-30-26(34)31(37-27(30)35)22-6-2-1-3-7-22/h1-14,32H,15-17H2,(H,28,33)"	C1=CC=C(C=C1)N2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)CNC(=O)OCC4=NC5=C(C=CC=C5O)C=C4	ABJSYCIXNGGFLW-UHFFFAOYSA-N
DG70095	"(11Z)-11-[(2-bromophenyl)methylidene]-4,6-diethyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione"	162395086	NSC809858; NSC-809858	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809858	.	.	.	.	436.3	C17H18BrN5O2S	93.6	684	2.8	26	1	5	3	"InChI=1S/C17H18BrN5O2S/c1-3-21-13-14(22(4-2)17(21)25)20-23-15(24)12(26-16(23)19-13)9-10-7-5-6-8-11(10)18/h5-9,13-14,20H,3-4H2,1-2H3/b12-9-"	CCN1C2C(N=C3N(N2)C(=O)/C(=C/C4=CC=CC=C4Br)/S3)N(C1=O)CC	OSUOWDOUHOMNKI-XFXZXTDPSA-N
DG70096	"4,6-diethyl-3-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dithione"	162395091	NSC809857; NSC-809857	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809857	.	.	.	.	389.5	C18H23N5OS2	108	596	2.9	26	1	4	6	"InChI=1S/C18H23N5OS2/c1-4-21-15-16(22(5-2)18(21)26)23(17(25)20-15)19-12-8-10-13-9-6-7-11-14(13)24-3/h6-12,15-16H,4-5H2,1-3H3,(H,20,25)/b10-8+,19-12+"	CCN1C2C(N(C1=S)CC)N(C(=S)N2)/N=C/C=C/C3=CC=CC=C3OC	WVLCEQQFFULDDU-SLUIUKIVSA-N
DG70097	"(11Z)-11-[(2,4-dichlorophenyl)methylidene]-3,5-diethyl-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione"	162395092	NSC809841; NSC-809841	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809841	.	.	.	.	426.3	C17H17Cl2N5O2S	93.6	717	4.1	27	1	5	3	"InChI=1S/C17H17Cl2N5O2S/c1-3-22-13-14(23(4-2)17(22)26)24-15(25)12(27-16(24)21-20-13)7-9-5-6-10(18)8-11(9)19/h5-8,13-14,20H,3-4H2,1-2H3/b12-7-"	CCN1C2C(N(C1=O)CC)N3C(=O)/C(=C/C4=C(C=C(C=C4)Cl)Cl)/SC3=NN2	MYAQMZRLNNWEQR-GHXNOFRVSA-N
DG70098	"(11Z)-3,5-diethyl-11-[(4-methoxyphenyl)methylidene]-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione"	162395097	NSC809844; NSC-809844	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809844	.	.	.	.	387.5	C18H21N5O3S	103	689	2.9	27	1	6	4	"InChI=1S/C18H21N5O3S/c1-4-21-14-15(22(5-2)18(21)25)23-16(24)13(27-17(23)20-19-14)10-11-6-8-12(26-3)9-7-11/h6-10,14-15,19H,4-5H2,1-3H3/b13-10-"	CCN1C2C(N(C1=O)CC)N3C(=O)/C(=C/C4=CC=C(C=C4)OC)/SC3=NN2	VEUWUKWSQLOAQF-RAXLEYEMSA-N
DG70099	NSC809948	162395098	"(11Z)-11-[(2,3-dimethylimidazol-4-yl)methylidene]-3,5-diethyl-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione; NSC809948; NSC-809948"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809948	.	.	.	.	375.5	C16H21N7O2S	111	696	1.4	26	1	6	3	"InChI=1S/C16H21N7O2S/c1-5-21-12-13(22(6-2)16(21)25)23-14(24)11(26-15(23)19-18-12)7-10-8-17-9(3)20(10)4/h7-8,12-13,18H,5-6H2,1-4H3/b11-7-"	CCN1C2C(N(C1=O)CC)N3C(=O)/C(=C/C4=CN=C(N4C)C)/SC3=NN2	FLKIRBQYZFZQJE-XFFZJAGNSA-N
DG70100	"(3E)-5,6-dihydroxy-3-[(2-methoxyphenyl)methylidene]chromen-4-one"	162395100	NSC809681; NSC-809681	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809681	.	.	.	.	298.29	C17H14O5	76	446	3.1	22	2	5	2	"InChI=1S/C17H14O5/c1-21-13-5-3-2-4-10(13)8-11-9-22-14-7-6-12(18)17(20)15(14)16(11)19/h2-8,18,20H,9H2,1H3/b11-8+"	COC1=CC=CC=C1/C=C/2\\COC3=C(C2=O)C(=C(C=C3)O)O	KZZSUBHPBWAGBU-DHZHZOJOSA-N
DG70101	"(3E)-3-[(2-bromophenyl)methylidene]-5,6-dihydroxychromen-4-one"	162395107	NSC809688; NSC-809688	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809688	.	.	.	.	347.16	C16H11BrO4	66.8	436	3.9	21	2	4	1	"InChI=1S/C16H11BrO4/c17-11-4-2-1-3-9(11)7-10-8-21-13-6-5-12(18)16(20)14(13)15(10)19/h1-7,18,20H,8H2/b10-7+"	C1/C(=C\\C2=CC=CC=C2Br)/C(=O)C3=C(O1)C=CC(=C3O)O	DGPBLHJZQKDEFS-JXMROGBWSA-N
DG70102	NSC810153	162395124	"(1R,4R,5R,8R,11Z,13R,14R,17R,18R,19S,20S,24S)-4,5,9,9,13,19,20-heptamethyl-11-(pyridin-3-ylmethylidene)-24-[(Z)-3-pyridin-3-ylprop-2-enoyl]-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracosan-10-one; NSC810153; NSC-810153"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	810153	.	.	.	.	660.9	C44H56N2O3	69.2	1420	9	49	0	5	4	"InChI=1S/C44H56N2O3/c1-28-37-32-13-15-36-40(4)23-31(22-30-11-9-21-46-26-30)38(48)39(2,3)35(40)16-17-42(36,6)41(32,5)18-19-44(37)24-33(43(28,7)49-27-44)34(47)14-12-29-10-8-20-45-25-29/h8-12,14,20-22,25-26,28,32-33,35-37H,13,15-19,23-24,27H2,1-7H3/b14-12-,31-22-/t28-,32+,33+,35-,36+,37-,40-,41+,42+,43-,44-/m0/s1"	C[C@H]1[C@H]2[C@H]3CC[C@H]4[C@]([C@@]3(CC[C@@]25C[C@@H]([C@]1(OC5)C)C(=O)/C=C\\C6=CN=CC=C6)C)(CC[C@@H]7[C@@]4(C/C(=C/C8=CN=CC=C8)/C(=O)C7(C)C)C)C	YRFPNAHUCKYWPD-PHAXMRIYSA-N
DG70103	"N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide"	162395125	CHEMBL4784249; BDBM50565633; NSC810309; NSC-810309	.	.	Investigative Drug(s)	Investigative	Small molecular drug	810309	.	.	.	.	470.5	C25H26N8O2	127	725	3.8	35	3	7	7	"InChI=1S/C25H26N8O2/c1-25(2,3)20-11-21(32-35-20)31-22(34)9-15-5-7-17(8-6-15)29-23-18-10-19(16-12-28-33(4)13-16)30-24(18)27-14-26-23/h5-8,10-14H,9H2,1-4H3,(H,31,32,34)(H2,26,27,29,30)"	CC(C)(C)C1=CC(=NO1)NC(=O)CC2=CC=C(C=C2)NC3=NC=NC4=C3C=C(N4)C5=CN(N=C5)C	WHWUFZRPFZJRIY-UHFFFAOYSA-N
DG70104	"Methyl 7-[(4-methoxyphenyl)methylamino]-1,3-dimethyl-2-oxido-5,8-dioxoisoquinolin-2-ium-4-carboxylate"	162395160	NSC810557; NSC-810557	.	.	Investigative Drug(s)	Investigative	Small molecular drug	810557	.	.	.	.	396.4	C21H20N2O6	107	685	1.7	29	1	7	6	"InChI=1S/C21H20N2O6/c1-11-17-19(18(21(26)29-4)12(2)23(11)27)16(24)9-15(20(17)25)22-10-13-5-7-14(28-3)8-6-13/h5-9,22H,10H2,1-4H3"	CC1=C2C(=C(C(=[N+]1[O-])C)C(=O)OC)C(=O)C=C(C2=O)NCC3=CC=C(C=C3)OC	NQVBIQUKCKJTEJ-UHFFFAOYSA-N
DG70105	NSC809878	162395265	"(11Z)-3,5-diethyl-11-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione; NSC809878; NSC-809878"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809878	.	.	.	.	468.6	C23H28N6O3S	114	933	3.5	33	1	6	5	"InChI=1S/C23H28N6O3S/c1-5-26-18-19(27(6-2)23(26)32)29-21(31)17(33-22(29)25-24-18)16-14-9-7-8-10-15(14)28(20(16)30)12-11-13(3)4/h7-10,13,18-19,24H,5-6,11-12H2,1-4H3/b17-16-"	CCN1C2C(N(C1=O)CC)N3C(=O)/C(=C/4\\C5=CC=CC=C5N(C4=O)CCC(C)C)/SC3=NN2	BNXFVTYEXNDMLN-MSUUIHNZSA-N
DG70106	"(11Z)-11-[(2-bromophenyl)methylidene]-3,5-diethyl-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione"	162395269	NSC809870; NSC-809870	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809870	.	.	.	.	436.3	C17H18BrN5O2S	93.6	684	3.6	26	1	5	3	"InChI=1S/C17H18BrN5O2S/c1-3-21-13-14(22(4-2)17(21)25)23-15(24)12(26-16(23)20-19-13)9-10-7-5-6-8-11(10)18/h5-9,13-14,19H,3-4H2,1-2H3/b12-9-"	CCN1C2C(N(C1=O)CC)N3C(=O)/C(=C/C4=CC=CC=C4Br)/SC3=NN2	SAHXMFBYTCHZMB-XFXZXTDPSA-N
DG70107	"N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinoxalin-2-yl]phenyl]acetamide"	162395270	NSC809699; NSC812731; NSC-809699; NSC-812731	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809699	.	.	.	.	565.7	C32H35N7O3	111	873	3.7	42	1	8	9	"InChI=1S/C32H35N7O3/c1-32(2,3)29-18-30(37-42-29)36-31(40)16-22-4-6-23(7-5-22)28-20-33-27-17-24(8-9-26(27)35-28)25-19-34-39(21-25)11-10-38-12-14-41-15-13-38/h4-9,17-21H,10-16H2,1-3H3,(H,36,37,40)"	CC(C)(C)C1=CC(=NO1)NC(=O)CC2=CC=C(C=C2)C3=CN=C4C=C(C=CC4=N3)C5=CN(N=C5)CCN6CCOCC6	HUVFKXVHSAFFKN-UHFFFAOYSA-N
DG70108	NSC809940	162395274	"3-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-4,6-dipropyl-2-sulfanylidene-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-5-one; NSC809940; NSC-809940"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809940	.	.	.	.	401.5	C20H27N5O2S	92.5	626	3.4	28	1	4	8	"InChI=1S/C20H27N5O2S/c1-4-13-23-17-18(24(14-5-2)20(23)26)25(19(28)22-17)21-12-8-10-15-9-6-7-11-16(15)27-3/h6-12,17-18H,4-5,13-14H2,1-3H3,(H,22,28)/b10-8+,21-12+"	CCCN1C2C(N(C1=O)CCC)N(C(=S)N2)/N=C/C=C/C3=CC=CC=C3OC	SWJQUIMDQCXGKU-SBXOMSNGSA-N
DG70109	"(3E)-3-[(4-fluorophenyl)methylidene]-5,6-dihydroxychromen-4-one"	162395285	NSC809685; NSC-809685	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809685	.	.	.	.	286.25	C16H11FO4	66.8	428	3.3	21	2	5	1	"InChI=1S/C16H11FO4/c17-11-3-1-9(2-4-11)7-10-8-21-13-6-5-12(18)16(20)14(13)15(10)19/h1-7,18,20H,8H2/b10-7+"	C1/C(=C\\C2=CC=C(C=C2)F)/C(=O)C3=C(O1)C=CC(=C3O)O	OZGSWYWLAJIAQQ-JXMROGBWSA-N
DG70110	N-(5-tert-butyl-2-methylpyrazol-3-yl)-2-[4-[7-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]acetamide	162395302	NSC810311; NSC-810311	.	.	Investigative Drug(s)	Investigative	Small molecular drug	810311	.	.	.	.	478.6	C29H30N6O	77.6	747	4.9	36	1	4	6	"InChI=1S/C29H30N6O/c1-29(2,3)26-15-27(35(5)33-26)32-28(36)12-19-6-8-20(9-7-19)23-13-22-11-10-21(14-25(22)30-16-23)24-17-31-34(4)18-24/h6-11,13-18H,12H2,1-5H3,(H,32,36)"	CC(C)(C)C1=NN(C(=C1)NC(=O)CC2=CC=C(C=C2)C3=CN=C4C=C(C=CC4=C3)C5=CN(N=C5)C)C	GWSOVEKHFSFSLB-UHFFFAOYSA-N
DG70111	"(8-hydroxyquinolin-2-yl)methyl N-[[4-[(3,5-dioxo-2-pentyl-1,2,4-thiadiazolidin-4-yl)methyl]phenyl]methyl]carbamate"	162395423	NSC808686; NSC-808686	.	.	Investigative Drug(s)	Investigative	Small molecular drug	808686	.	.	.	.	508.6	C26H28N4O5S	137	763	4.3	36	2	7	11	"InChI=1S/C26H28N4O5S/c1-2-3-4-14-30-25(33)29(26(34)36-30)16-19-10-8-18(9-11-19)15-27-24(32)35-17-21-13-12-20-6-5-7-22(31)23(20)28-21/h5-13,31H,2-4,14-17H2,1H3,(H,27,32)"	CCCCCN1C(=O)N(C(=O)S1)CC2=CC=C(C=C2)CNC(=O)OCC3=NC4=C(C=CC=C4O)C=C3	LNWCRWUBMCWDDN-UHFFFAOYSA-N
DG70112	"(11Z)-11-benzylidene-3,5-diethyl-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione"	162395426	NSC809838; NSC-809838	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809838	.	.	.	.	357.4	C17H19N5O2S	93.6	643	2.9	25	1	5	3	"InChI=1S/C17H19N5O2S/c1-3-20-13-14(21(4-2)17(20)24)22-15(23)12(25-16(22)19-18-13)10-11-8-6-5-7-9-11/h5-10,13-14,18H,3-4H2,1-2H3/b12-10-"	CCN1C2C(N(C1=O)CC)N3C(=O)/C(=C/C4=CC=CC=C4)/SC3=NN2	KGTFGXJFWAHYLR-BENRWUELSA-N
DG70113	"4-ethyl-3-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-6-phenyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dithione"	162395427	NSC809823; NSC-809823	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809823	.	.	.	.	437.6	C22H23N5OS2	108	693	4.1	30	1	4	6	"InChI=1S/C22H23N5OS2/c1-3-25-20-19(26(22(25)30)17-12-5-4-6-13-17)24-21(29)27(20)23-15-9-11-16-10-7-8-14-18(16)28-2/h4-15,19-20H,3H2,1-2H3,(H,24,29)/b11-9+,23-15+"	CCN1C2C(NC(=S)N2/N=C/C=C/C3=CC=CC=C3OC)N(C1=S)C4=CC=CC=C4	BCUWVHFTMOJEOY-AORSRVFISA-N
DG70114	"(11Z)-3,5-diethyl-11-(2-oxo-1-propylindol-3-ylidene)-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione"	162395431	NSC809872; NSC-809872	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809872	.	.	.	.	440.5	C21H24N6O3S	114	888	2.7	31	1	6	4	"InChI=1S/C21H24N6O3S/c1-4-11-26-13-10-8-7-9-12(13)14(18(26)28)15-19(29)27-17-16(22-23-20(27)31-15)24(5-2)21(30)25(17)6-3/h7-10,16-17,22H,4-6,11H2,1-3H3/b15-14-"	CCCN1C2=CC=CC=C2/C(=C/3\\C(=O)N4C5C(NN=C4S3)N(C(=O)N5CC)CC)/C1=O	AEFNQMILHVZATP-PFONDFGASA-N
DG70115	"(11Z)-3,5-diethyl-11-(1H-pyrrol-2-ylmethylidene)-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione"	162395434	NSC809946; NSC-809946	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809946	.	.	.	.	346.4	C15H18N6O2S	109	636	1.7	24	2	5	3	"InChI=1S/C15H18N6O2S/c1-3-19-11-12(20(4-2)15(19)23)21-13(22)10(24-14(21)18-17-11)8-9-6-5-7-16-9/h5-8,11-12,16-17H,3-4H2,1-2H3/b10-8-"	CCN1C2C(N(C1=O)CC)N3C(=O)/C(=C/C4=CC=CN4)/SC3=NN2	BLUQIMIDEDXCFI-NTMALXAHSA-N
DG70116	"(11Z)-3,5-diethyl-11-[(4-nitrophenyl)methylidene]-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione"	162395435	NSC809839; NSC-809839	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809839	.	.	.	.	402.4	C17H18N6O4S	139	757	2.7	28	1	7	3	"InChI=1S/C17H18N6O4S/c1-3-20-13-14(21(4-2)17(20)25)22-15(24)12(28-16(22)19-18-13)9-10-5-7-11(8-6-10)23(26)27/h5-9,13-14,18H,3-4H2,1-2H3/b12-9-"	CCN1C2C(N(C1=O)CC)N3C(=O)/C(=C/C4=CC=C(C=C4)[N+](=O)[O-])/SC3=NN2	WFLGTOJPTZJOGI-XFXZXTDPSA-N
DG70117	"(11Z)-3,5-diethyl-11-[(3-nitrophenyl)methylidene]-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione"	162395436	NSC809840; NSC-809840	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809840	.	.	.	.	402.4	C17H18N6O4S	139	765	2.7	28	1	7	3	"InChI=1S/C17H18N6O4S/c1-3-20-13-14(21(4-2)17(20)25)22-15(24)12(28-16(22)19-18-13)9-10-6-5-7-11(8-10)23(26)27/h5-9,13-14,18H,3-4H2,1-2H3/b12-9-"	CCN1C2C(N(C1=O)CC)N3C(=O)/C(=C/C4=CC(=CC=C4)[N+](=O)[O-])/SC3=NN2	JNGOJLGPFBXPCF-XFXZXTDPSA-N
DG70118	(3E)-3-[(3-bromophenyl)methylidene]-6-hydroxychromen-4-one	162395447	NSC809676; NSC-809676	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809676	.	.	.	.	331.16	C16H11BrO3	46.5	407	3.7	20	1	3	1	"InChI=1S/C16H11BrO3/c17-12-3-1-2-10(7-12)6-11-9-20-15-5-4-13(18)8-14(15)16(11)19/h1-8,18H,9H2/b11-6+"	C1/C(=C\\C2=CC(=CC=C2)Br)/C(=O)C3=C(O1)C=CC(=C3)O	IXDHFFZVUYABPQ-IZZDOVSWSA-N
DG70119	"Methyl 7-[(3-chloro-4-fluorophenyl)methylamino]-1,3-dimethyl-2-oxido-5,8-dioxoisoquinolin-2-ium-4-carboxylate"	162395486	NSC810562; NSC-810562	.	.	Investigative Drug(s)	Investigative	Small molecular drug	810562	.	.	.	.	418.8	C20H16ClFN2O5	97.9	717	2.5	29	1	7	5	"InChI=1S/C20H16ClFN2O5/c1-9-16-18(17(20(27)29-3)10(2)24(9)28)15(25)7-14(19(16)26)23-8-11-4-5-13(22)12(21)6-11/h4-7,23H,8H2,1-3H3"	CC1=C2C(=C(C(=[N+]1[O-])C)C(=O)OC)C(=O)C=C(C2=O)NCC3=CC(=C(C=C3)F)Cl	LABJSGYBETXZQB-UHFFFAOYSA-N
DG70120	"Methyl 7-[(3-chlorophenyl)methylamino]-1,3-dimethyl-2-oxido-5,8-dioxoisoquinolin-2-ium-4-carboxylate"	162395500	NSC810560; NSC-810560	.	.	Investigative Drug(s)	Investigative	Small molecular drug	810560	.	.	.	.	400.8	C20H17ClN2O5	97.9	682	2.4	28	1	6	5	"InChI=1S/C20H17ClN2O5/c1-10-16-18(17(20(26)28-3)11(2)23(10)27)15(24)8-14(19(16)25)22-9-12-5-4-6-13(21)7-12/h4-8,22H,9H2,1-3H3"	CC1=C2C(=C(C(=[N+]1[O-])C)C(=O)OC)C(=O)C=C(C2=O)NCC3=CC(=CC=C3)Cl	KCXXCXVSDMSKQD-UHFFFAOYSA-N
DG70121	"(5,7-dichloro-8-hydroxyquinolin-2-yl)methyl 4-(5-fluoro-1H-indole-2-carbonyl)piperazine-1-carboxylate"	162395526	NSC809151; NSC-809151	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809151	.	.	.	.	517.299	C24H19Cl2FN4O4	98.8	789	4.3	35	2	6	4	"InChI=1S/C24H19Cl2FN4O4/c25-17-11-18(26)22(32)21-16(17)3-2-15(28-21)12-35-24(34)31-7-5-30(6-8-31)23(33)20-10-13-9-14(27)1-4-19(13)29-20/h1-4,9-11,29,32H,5-8,12H2"	C1CN(CCN1C(=O)C2=CC3=C(N2)C=CC(=C3)F)C(=O)OCC4=NC5=C(C=C4)C(=CC(=C5O)Cl)Cl	HQDYLEZAURUAOY-UHFFFAOYSA-N
DG70122	"(5,7-dichloro-8-hydroxyquinolin-2-yl)methyl N-[7-[(5,7-dichloro-8-hydroxyquinolin-2-yl)methoxycarbonylamino]heptyl]carbamate"	162395529	NSC809141; NSC-809141	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809141	.	.	.	.	670.4	C29H28Cl4N4O6	143	828	7	43	4	8	14	"InChI=1S/C29H28Cl4N4O6/c30-20-12-22(32)26(38)24-18(20)8-6-16(36-24)14-42-28(40)34-10-4-2-1-3-5-11-35-29(41)43-15-17-7-9-19-21(31)13-23(33)27(39)25(19)37-17/h6-9,12-13,38-39H,1-5,10-11,14-15H2,(H,34,40)(H,35,41)"	C1=CC2=C(C(=C(C=C2Cl)Cl)O)N=C1COC(=O)NCCCCCCCNC(=O)OCC3=NC4=C(C=C3)C(=CC(=C4O)Cl)Cl	MTGFMPZWABNBKK-UHFFFAOYSA-N
DG70123	"(11Z)-3,5-diethyl-11-(1H-indol-2-ylmethylidene)-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione"	162395600	NSC809947; NSC-809947	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809947	.	.	.	.	396.5	C19H20N6O2S	109	755	3	28	2	5	3	"InChI=1S/C19H20N6O2S/c1-3-23-15-16(24(4-2)19(23)27)25-17(26)14(28-18(25)22-21-15)10-12-9-11-7-5-6-8-13(11)20-12/h5-10,15-16,20-21H,3-4H2,1-2H3/b14-10-"	CCN1C2C(N(C1=O)CC)N3C(=O)/C(=C/C4=CC5=CC=CC=C5N4)/SC3=NN2	UIZKUPNJEZHWDY-UVTDQMKNSA-N
DG70124	"(11Z)-11-[(2-fluorophenyl)methylidene]-3,5-dimethyl-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione"	162395605	NSC809943; NSC-809943	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809943	.	.	.	.	347.4	C15H14FN5O2S	93.6	654	2.3	24	1	6	1	"InChI=1S/C15H14FN5O2S/c1-19-11-12(20(2)15(19)23)21-13(22)10(24-14(21)18-17-11)7-8-5-3-4-6-9(8)16/h3-7,11-12,17H,1-2H3/b10-7-"	CN1C2C(N(C1=O)C)N3C(=O)/C(=C/C4=CC=CC=C4F)/SC3=NN2	PKJRSEATXBFXTJ-YFHOEESVSA-N
DG70125	NSC809697	162395610	2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-[(3-fluorophenyl)methyl]acetamide; NSC809697; NSC-809697	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809697	.	.	.	.	555.6	C30H34FN9O	114	833	4.2	41	4	9	10	"InChI=1S/C30H34FN9O/c1-39-11-13-40(14-12-39)28-18-26(34-27-17-25(37-38-27)22-7-8-22)35-30(36-28)33-24-9-5-20(6-10-24)16-29(41)32-19-21-3-2-4-23(31)15-21/h2-6,9-10,15,17-18,22H,7-8,11-14,16,19H2,1H3,(H,32,41)(H3,33,34,35,36,37,38)"	CN1CCN(CC1)C2=NC(=NC(=C2)NC3=NNC(=C3)C4CC4)NC5=CC=C(C=C5)CC(=O)NCC6=CC(=CC=C6)F	QNHKROVHVUXIGY-UHFFFAOYSA-N
DG70126	"4,6-diethyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dithione"	162395612	NSC809856; NSC-809856	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809856	.	.	.	.	359.5	C17H21N5S2	98.3	541	2.9	24	1	3	5	"InChI=1S/C17H21N5S2/c1-3-20-14-15(21(4-2)17(20)24)22(16(23)19-14)18-12-8-11-13-9-6-5-7-10-13/h5-12,14-15H,3-4H2,1-2H3,(H,19,23)/b11-8+,18-12+"	CCN1C2C(N(C1=S)CC)N(C(=S)N2)/N=C/C=C/C3=CC=CC=C3	KMIBQPXRWBYMQE-BUJDNCMTSA-N
DG70127	(3E)-6-hydroxy-3-[(3-nitrophenyl)methylidene]chromen-4-one	162395615	NSC809679; NSC-809679	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809679	.	.	.	.	297.26	C16H11NO5	92.4	483	2.8	22	1	5	1	"InChI=1S/C16H11NO5/c18-13-4-5-15-14(8-13)16(19)11(9-22-15)6-10-2-1-3-12(7-10)17(20)21/h1-8,18H,9H2/b11-6+"	C1/C(=C\\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)C3=C(O1)C=CC(=C3)O	LSFXWXDDPZFBCE-IZZDOVSWSA-N
DG70128	"(3E)-5,6-dihydroxy-3-[(4-methylphenyl)methylidene]chromen-4-one"	162395618	NSC809683; NSC-809683	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809683	.	.	.	.	282.29	C17H14O4	66.8	423	3.5	21	2	4	1	"InChI=1S/C17H14O4/c1-10-2-4-11(5-3-10)8-12-9-21-14-7-6-13(18)17(20)15(14)16(12)19/h2-8,18,20H,9H2,1H3/b12-8+"	CC1=CC=C(C=C1)/C=C/2\\COC3=C(C2=O)C(=C(C=C3)O)O	GKTYHLJGMNETRG-XYOKQWHBSA-N
DG70129	(3E)-6-hydroxy-3-[(4-nitrophenyl)methylidene]chromen-4-one	162395620	NSC809680; NSC-809680	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809680	.	.	.	.	297.26	C16H11NO5	92.4	475	2.8	22	1	5	1	"InChI=1S/C16H11NO5/c18-13-5-6-15-14(8-13)16(19)11(9-22-15)7-10-1-3-12(4-2-10)17(20)21/h1-8,18H,9H2/b11-7+"	C1/C(=C\\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)C3=C(O1)C=CC(=C3)O	CQEGCGVJXSYXEH-YRNVUSSQSA-N
DG70130	"(3E)-5,6-dihydroxy-3-[(2,3,4-trimethoxyphenyl)methylidene]chromen-4-one"	162395623	NSC809684; NSC-809684	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809684	.	.	.	.	358.3	C19H18O7	94.4	534	3.1	26	2	7	4	"InChI=1S/C19H18O7/c1-23-14-6-4-10(18(24-2)19(14)25-3)8-11-9-26-13-7-5-12(20)17(22)15(13)16(11)21/h4-8,20,22H,9H2,1-3H3/b11-8+"	COC1=C(C(=C(C=C1)/C=C/2\\COC3=C(C2=O)C(=C(C=C3)O)O)OC)OC	CIBUPZHLWWKVCX-DHZHZOJOSA-N
DG70131	"(5,7-dichloro-8-hydroxyquinolin-2-yl)methyl N-[6-[(5,7-dichloro-8-hydroxyquinolin-2-yl)methoxycarbonylamino]hexyl]carbamate"	162395694	NSC809140; NSC-809140	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809140	.	.	.	.	656.3	C28H26Cl4N4O6	143	812	6.5	42	4	8	13	"InChI=1S/C28H26Cl4N4O6/c29-19-11-21(31)25(37)23-17(19)7-5-15(35-23)13-41-27(39)33-9-3-1-2-4-10-34-28(40)42-14-16-6-8-18-20(30)12-22(32)26(38)24(18)36-16/h5-8,11-12,37-38H,1-4,9-10,13-14H2,(H,33,39)(H,34,40)"	C1=CC2=C(C(=C(C=C2Cl)Cl)O)N=C1COC(=O)NCCCCCCNC(=O)OCC3=NC4=C(C=C3)C(=CC(=C4O)Cl)Cl	SBBSXXPGXWQLMQ-UHFFFAOYSA-N
DG70132	Gpx4-IN-3	162395709	GPX4-IN-3; NSC835419; NSC-835419; HY-141809	.	.	Investigative Drug(s)	Investigative	Small molecular drug	835419	.	.	.	.	530	C29H24ClN3O3S	104	759	6	37	1	5	9	"InChI=1S/C29H24ClN3O3S/c30-16-27(34)33(22-12-10-21(11-13-22)25-17-31-19-36-25)28(24-18-37-26-9-5-4-8-23(24)26)29(35)32-15-14-20-6-2-1-3-7-20/h1-13,17-19,28H,14-16H2,(H,32,35)"	C1=CC=C(C=C1)CCNC(=O)C(C2=CSC3=CC=CC=C32)N(C4=CC=C(C=C4)C5=CN=CO5)C(=O)CCl	ZLCPSXKEQBUXRJ-UHFFFAOYSA-N
DG70133	"(5,7-dichloro-8-hydroxyquinolin-2-yl)methyl 5-methoxy-1H-indole-2-carboxylate"	162395744	NSC807440; NSC-807440	.	.	Investigative Drug(s)	Investigative	Small molecular drug	807440	.	.	.	.	417.2	C20H14Cl2N2O4	84.4	568	4.9	28	2	5	5	"InChI=1S/C20H14Cl2N2O4/c1-27-12-3-5-16-10(6-12)7-17(24-16)20(26)28-9-11-2-4-13-14(21)8-15(22)19(25)18(13)23-11/h2-8,24-25H,9H2,1H3"	COC1=CC2=C(C=C1)NC(=C2)C(=O)OCC3=NC4=C(C=C3)C(=CC(=C4O)Cl)Cl	JVAQFHXOFNMTRZ-UHFFFAOYSA-N
DG70134	"(11Z)-11-[(4-fluorophenyl)methylidene]-3,5-dimethyl-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione"	162395760	NSC809944; NSC-809944	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809944	.	.	.	.	347.4	C15H14FN5O2S	93.6	646	2.3	24	1	6	1	"InChI=1S/C15H14FN5O2S/c1-19-11-12(20(2)15(19)23)21-13(22)10(24-14(21)18-17-11)7-8-3-5-9(16)6-4-8/h3-7,11-12,17H,1-2H3/b10-7-"	CN1C2C(N(C1=O)C)N3C(=O)/C(=C/C4=CC=C(C=C4)F)/SC3=NN2	SVNMVLZSUOMWJS-YFHOEESVSA-N
DG70135	NSC809813	162395770	"(11Z)-3,5-diethyl-11-[2-oxo-1-(2-phenylethyl)indol-3-ylidene]-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione; NSC809813; NSC-809813"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809813	.	.	.	.	502.6	C26H26N6O3S	114	1010	3.7	36	1	6	5	"InChI=1S/C26H26N6O3S/c1-3-29-21-22(30(4-2)26(29)35)32-24(34)20(36-25(32)28-27-21)19-17-12-8-9-13-18(17)31(23(19)33)15-14-16-10-6-5-7-11-16/h5-13,21-22,27H,3-4,14-15H2,1-2H3/b20-19-"	CCN1C2C(N(C1=O)CC)N3C(=O)/C(=C/4\\C5=CC=CC=C5N(C4=O)CCC6=CC=CC=C6)/SC3=NN2	WHXPRTZIYIQWPP-VXPUYCOJSA-N
DG70136	"(11Z)-3,5-diethyl-11-(thiophen-2-ylmethylidene)-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione"	162395774	NSC809964; NSC-809964	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809964	.	.	.	.	363.5	C15H17N5O2S2	122	637	2.6	24	1	6	3	"InChI=1S/C15H17N5O2S2/c1-3-18-11-12(19(4-2)15(18)22)20-13(21)10(24-14(20)17-16-11)8-9-6-5-7-23-9/h5-8,11-12,16H,3-4H2,1-2H3/b10-8-"	CCN1C2C(N(C1=O)CC)N3C(=O)/C(=C/C4=CC=CS4)/SC3=NN2	YBMPNNOCZIRYEF-NTMALXAHSA-N
DG70137	"(3E)-5,6-dihydroxy-3-[(3-methoxyphenyl)methylidene]chromen-4-one"	162395776	NSC809682; NSC-809682	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809682	.	.	.	.	298.29	C17H14O5	76	446	3.1	22	2	5	2	"InChI=1S/C17H14O5/c1-21-12-4-2-3-10(8-12)7-11-9-22-14-6-5-13(18)17(20)15(14)16(11)19/h2-8,18,20H,9H2,1H3/b11-7+"	COC1=CC=CC(=C1)/C=C/2\\COC3=C(C2=O)C(=C(C=C3)O)O	XFURNIXXQHIUKB-YRNVUSSQSA-N
DG70138	"(3E)-3-[(3-bromophenyl)methylidene]-5,6-dihydroxychromen-4-one"	162395781	NSC809691; NSC-809691	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809691	.	.	.	.	347.16	C16H11BrO4	66.8	436	3.9	21	2	4	1	"InChI=1S/C16H11BrO4/c17-11-3-1-2-9(7-11)6-10-8-21-13-5-4-12(18)16(20)14(13)15(10)19/h1-7,18,20H,8H2/b10-6+"	C1/C(=C\\C2=CC(=CC=C2)Br)/C(=O)C3=C(O1)C=CC(=C3O)O	HHGKZQPHARPSGV-UXBLZVDNSA-N
DG70139	"(3E)-3-[(4-bromophenyl)methylidene]-5,6-dihydroxychromen-4-one"	162395787	NSC809690; NSC-809690	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809690	.	.	.	.	347.16	C16H11BrO4	66.8	428	3.9	21	2	4	1	"InChI=1S/C16H11BrO4/c17-11-3-1-9(2-4-11)7-10-8-21-13-6-5-12(18)16(20)14(13)15(10)19/h1-7,18,20H,8H2/b10-7+"	C1/C(=C\\C2=CC=C(C=C2)Br)/C(=O)C3=C(O1)C=CC(=C3O)O	BXTIHSNQFHNILT-JXMROGBWSA-N
DG70140	(3E)-3-[(4-chlorophenyl)methylidene]-6-hydroxychromen-4-one	162395788	NSC809674; NSC-809674	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809674	.	.	.	.	286.71	C16H11ClO3	46.5	399	3.6	20	1	3	1	"InChI=1S/C16H11ClO3/c17-12-3-1-10(2-4-12)7-11-9-20-15-6-5-13(18)8-14(15)16(11)19/h1-8,18H,9H2/b11-7+"	C1/C(=C\\C2=CC=C(C=C2)Cl)/C(=O)C3=C(O1)C=CC(=C3)O	SHQGHCIBVDYBAE-YRNVUSSQSA-N
DG70141	"Methyl 7-[(4-fluorophenyl)methylamino]-1,3-dimethyl-2-oxido-5,8-dioxoisoquinolin-2-ium-4-carboxylate"	162395829	NSC810561; NSC-810561	.	.	Investigative Drug(s)	Investigative	Small molecular drug	810561	.	.	.	.	384.4	C20H17FN2O5	97.9	674	1.8	28	1	7	5	"InChI=1S/C20H17FN2O5/c1-10-16-18(17(20(26)28-3)11(2)23(10)27)15(24)8-14(19(16)25)22-9-12-4-6-13(21)7-5-12/h4-8,22H,9H2,1-3H3"	CC1=C2C(=C(C(=[N+]1[O-])C)C(=O)OC)C(=O)C=C(C2=O)NCC3=CC=C(C=C3)F	COHHMWNAFWQLKZ-UHFFFAOYSA-N
DG70142	"N-[3-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]naphthalene-1-sulfonamide"	162395882	NSC811085; NSC-811085	.	.	Investigative Drug(s)	Investigative	Small molecular drug	811085	.	.	.	.	542.6	C28H23FN6O3S	123	908	6.1	39	2	9	9	"InChI=1S/C28H23FN6O3S/c29-21-9-3-8-20(18-21)25-26(35-16-17-38-28(35)34-25)23-12-15-31-27(33-23)30-13-5-14-32-39(36,37)24-11-4-7-19-6-1-2-10-22(19)24/h1-4,6-12,15-18,32H,5,13-14H2,(H,30,31,33)"	C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NCCCNC3=NC=CC(=N3)C4=C(N=C5N4C=CO5)C6=CC(=CC=C6)F	YQCMPKCVUAARKB-UHFFFAOYSA-N
DG70143	"(5,7-dibromo-8-hydroxyquinolin-2-yl)methyl N-[[4-[(3,5-dioxo-2-phenyl-1,2,4-thiadiazolidin-4-yl)methyl]phenyl]methyl]carbamate"	162395935	NSC808685; NSC-808685	.	.	Investigative Drug(s)	Investigative	Small molecular drug	808685	.	.	.	.	672.3	C27H20Br2N4O5S	137	888	5.4	39	2	7	8	"InChI=1S/C27H20Br2N4O5S/c28-21-12-22(29)24(34)23-20(21)11-10-18(31-23)15-38-25(35)30-13-16-6-8-17(9-7-16)14-32-26(36)33(39-27(32)37)19-4-2-1-3-5-19/h1-12,34H,13-15H2,(H,30,35)"	C1=CC=C(C=C1)N2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)CNC(=O)OCC4=NC5=C(C=C4)C(=CC(=C5O)Br)Br	GUQFXCVHRLPSGN-UHFFFAOYSA-N
DG70144	"(5,7-dibromo-8-hydroxyquinolin-2-yl)methyl N-[[4-[(2-butyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)methyl]phenyl]methyl]carbamate"	162395938	NSC808683; NSC-808683	.	.	Investigative Drug(s)	Investigative	Small molecular drug	808683	.	.	.	.	652.4	C25H24Br2N4O5S	137	818	5.1	37	2	7	10	"InChI=1S/C25H24Br2N4O5S/c1-2-3-10-31-24(34)30(25(35)37-31)13-16-6-4-15(5-7-16)12-28-23(33)36-14-17-8-9-18-19(26)11-20(27)22(32)21(18)29-17/h4-9,11,32H,2-3,10,12-14H2,1H3,(H,28,33)"	CCCCN1C(=O)N(C(=O)S1)CC2=CC=C(C=C2)CNC(=O)OCC3=NC4=C(C=C3)C(=CC(=C4O)Br)Br	OIQIKUSWHRRSJD-UHFFFAOYSA-N
DG70145	"4,6-diethyl-2-sulfanylidene-3-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-5-one"	162395946	NSC809864; NSC-809864	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809864	.	.	.	.	349.5	C15H19N5OS2	112	538	2	23	1	4	5	"InChI=1S/C15H19N5OS2/c1-3-18-12-13(19(4-2)15(18)21)20(14(22)17-12)16-9-5-7-11-8-6-10-23-11/h5-10,12-13H,3-4H2,1-2H3,(H,17,22)/b7-5+,16-9+"	CCN1C2C(N(C1=O)CC)N(C(=S)N2)/N=C/C=C/C3=CC=CS3	BCLZDKQYCHFMRT-ASWACWRWSA-N
DG70146	NSC809877	162395947	"(11Z)-3,5-diethyl-11-[1-(2-methylpropyl)-2-oxoindol-3-ylidene]-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione; NSC809877; NSC-809877"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809877	.	.	.	.	454.5	C22H26N6O3S	114	917	3.1	32	1	6	4	"InChI=1S/C22H26N6O3S/c1-5-25-17-18(26(6-2)22(25)31)28-20(30)16(32-21(28)24-23-17)15-13-9-7-8-10-14(13)27(19(15)29)11-12(3)4/h7-10,12,17-18,23H,5-6,11H2,1-4H3/b16-15-"	CCN1C2C(N(C1=O)CC)N3C(=O)/C(=C/4\\C5=CC=CC=C5N(C4=O)CC(C)C)/SC3=NN2	ZZWRPFKVJXHJNY-NXVVXOECSA-N
DG70147	Trimethyl-[2-[2-(2-octadecoxyphenyl)acetyl]oxyethyl]azanium	162395966	NSC809318; NSC-809318	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809318	.	.	.	.	490.8	C31H56NO3+	35.5	488	10.6	35	0	3	24	"InChI=1S/C31H56NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-34-30-24-21-20-23-29(30)28-31(33)35-27-25-32(2,3)4/h20-21,23-24H,5-19,22,25-28H2,1-4H3/q+1"	CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(=O)OCC[N+](C)(C)C	BEFDWOMBJZVKAS-UHFFFAOYSA-N
DG70148	(3E)-6-hydroxy-3-[(2-nitrophenyl)methylidene]chromen-4-one	162395971	NSC809678; NSC-809678	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809678	.	.	.	.	297.26	C16H11NO5	92.4	483	2.8	22	1	5	1	"InChI=1S/C16H11NO5/c18-12-5-6-15-13(8-12)16(19)11(9-22-15)7-10-3-1-2-4-14(10)17(20)21/h1-8,18H,9H2/b11-7+"	C1/C(=C\\C2=CC=CC=C2[N+](=O)[O-])/C(=O)C3=C(O1)C=CC(=C3)O	QHTKGCSFDWDSMQ-YRNVUSSQSA-N
DG70149	"tert-butyl (3E,5E)-3,5-bis[(2,5-dimethylphenyl)methylidene]-4-oxopiperidine-1-carboxylate"	162396031	NSC811165; NSC-811165	.	.	Investigative Drug(s)	Investigative	Small molecular drug	811165	.	.	.	.	431.6	C28H33NO3	46.6	711	5.9	32	0	3	4	"InChI=1S/C28H33NO3/c1-18-8-10-20(3)22(12-18)14-24-16-29(27(31)32-28(5,6)7)17-25(26(24)30)15-23-13-19(2)9-11-21(23)4/h8-15H,16-17H2,1-7H3/b24-14+,25-15+"	CC1=CC(=C(C=C1)C)/C=C\\2/C(=O)/C(=C/C3=C(C=CC(=C3)C)C)/CN(C2)C(=O)OC(C)(C)C	HTQAICVFNXDWPN-KOJZRSEWSA-N
DG70150	(8-hydroxyquinolin-2-yl)methyl 4-(5-fluoro-1H-indole-2-carbonyl)piperazine-1-carboxylate	162396049	NSC809153; NSC-809153	.	.	Investigative Drug(s)	Investigative	Small molecular drug	809153	.	.	.	.	448.4	C24H21FN4O4	98.8	719	3.1	33	2	6	4	"InChI=1S/C24H21FN4O4/c25-17-5-7-19-16(12-17)13-20(27-19)23(31)28-8-10-29(11-9-28)24(32)33-14-18-6-4-15-2-1-3-21(30)22(15)26-18/h1-7,12-13,27,30H,8-11,14H2"	C1CN(CCN1C(=O)C2=CC3=C(N2)C=CC(=C3)F)C(=O)OCC4=NC5=C(C=CC=C5O)C=C4	MBGHMQHKOPTOKK-UHFFFAOYSA-N
DG70151	"7-(3,5-Dimethoxyanilino)-5-hydroxy-2-phenylchromen-4-one"	162421365	NSC811294; NSC-811294	.	.	Investigative Drug(s)	Investigative	Small molecular drug	811294	.	.	.	.	389.4	C23H19NO5	77	590	3.9	29	2	6	5	"InChI=1S/C23H19NO5/c1-27-17-8-15(9-18(12-17)28-2)24-16-10-19(25)23-20(26)13-21(29-22(23)11-16)14-6-4-3-5-7-14/h3-13,24-25H,1-2H3"	COC1=CC(=CC(=C1)NC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O)OC	JJTOLXKBHPJTRR-UHFFFAOYSA-N
DG70152	(2-chloro-6-morpholin-4-yl-7H-purin-8-yl)methyl N-(2-morpholin-4-ylethyl)carbamate	162421374	NSC811280; NSC-811280	.	.	Investigative Drug(s)	Investigative	Small molecular drug	811280	.	.	.	.	425.9	C17H24ClN7O4	118	536	0.4	29	2	9	7	"InChI=1S/C17H24ClN7O4/c18-16-22-14-13(15(23-16)25-5-9-28-10-6-25)20-12(21-14)11-29-17(26)19-1-2-24-3-7-27-8-4-24/h1-11H2,(H,19,26)(H,20,21,22,23)"	C1COCCN1CCNC(=O)OCC2=NC3=C(N2)C(=NC(=N3)Cl)N4CCOCC4	RRZPRLKTEOATRH-UHFFFAOYSA-N
DG70153	5-Hydroxy-7-(2-methoxyanilino)-2-phenylchromen-4-one	162421392	NSC811293; NSC-811293	.	.	Investigative Drug(s)	Investigative	Small molecular drug	811293	.	.	.	.	359.4	C22H17NO4	67.8	557	4	27	2	5	4	"InChI=1S/C22H17NO4/c1-26-19-10-6-5-9-16(19)23-15-11-17(24)22-18(25)13-20(27-21(22)12-15)14-7-3-2-4-8-14/h2-13,23-24H,1H3"	COC1=CC=CC=C1NC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O	AOFDEFYVTKSENT-UHFFFAOYSA-N
DG70154	(2-chloro-6-morpholin-4-yl-7H-purin-8-yl)methyl imidazole-1-carboxylate	162421404	NSC811285; NSC-811285	.	.	Investigative Drug(s)	Investigative	Small molecular drug	811285	.	.	.	.	363.76	C14H14ClN7O3	111	481	1.1	25	1	8	4	"InChI=1S/C14H14ClN7O3/c15-13-19-11-10(12(20-13)21-3-5-24-6-4-21)17-9(18-11)7-25-14(23)22-2-1-16-8-22/h1-2,8H,3-7H2,(H,17,18,19,20)"	C1COCCN1C2=NC(=NC3=C2NC(=N3)COC(=O)N4C=CN=C4)Cl	MLFSYEOEMHPKHD-UHFFFAOYSA-N
DG70155	(2-chloro-6-morpholin-4-yl-7H-purin-8-yl)methyl N-(2-pyridin-2-ylethyl)carbamate	162421452	NSC811281; NSC-811281	.	.	Investigative Drug(s)	Investigative	Small molecular drug	811281	.	.	.	.	417.8	C18H20ClN7O3	118	540	1.6	29	2	8	7	"InChI=1S/C18H20ClN7O3/c19-17-24-15-14(16(25-17)26-7-9-28-10-8-26)22-13(23-15)11-29-18(27)21-6-4-12-3-1-2-5-20-12/h1-3,5H,4,6-11H2,(H,21,27)(H,22,23,24,25)"	C1COCCN1C2=NC(=NC3=C2NC(=N3)COC(=O)NCCC4=CC=CC=N4)Cl	VUSGLNNRFRCDCD-UHFFFAOYSA-N
DG70156	(2-chloro-6-morpholin-4-yl-7H-purin-8-yl)methyl 4-methylpiperidine-1-carboxylate	162421455	NSC811282; NSC-811282	.	.	Investigative Drug(s)	Investigative	Small molecular drug	811282	.	.	.	.	394.9	C17H23ClN6O3	96.5	515	2.2	27	1	7	4	"InChI=1S/C17H23ClN6O3/c1-11-2-4-24(5-3-11)17(25)27-10-12-19-13-14(20-12)21-16(18)22-15(13)23-6-8-26-9-7-23/h11H,2-10H2,1H3,(H,19,20,21,22)"	CC1CCN(CC1)C(=O)OCC2=NC3=C(N2)C(=NC(=N3)Cl)N4CCOCC4	SKWYIHDFQUIQGM-UHFFFAOYSA-N
DG70157	NSC811975	162534140	"[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(hydroxymethylamino)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methanol; NSC811975; NSC-811975"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	811975	.	.	.	.	471.8	C31H53NO2	52.5	822	8	34	3	3	4	"InChI=1S/C31H53NO2/c1-20(2)21-10-15-31(18-33)17-16-29(6)22(26(21)31)8-9-24-28(5)13-12-25(32-19-34)27(3,4)23(28)11-14-30(24,29)7/h21-26,32-34H,1,8-19H2,2-7H3/t21-,22+,23-,24+,25-,26+,28-,29+,30+,31+/m0/s1"	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)NCO)C)CO	VYXGBMDQBLEKTD-UPXNPTSPSA-N
DG70158	NSC811720	162534230	"(2R)-2-[(2S,5R,6S)-6-[(2R,3R,4R,6R)-6-[(3S,5S,7R,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoic acid; 53003-10-4; NSC811720; NSC-811720"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	811720	.	.	.	.	751	C42H70O11	161	1320	5.7	53	4	11	12	"InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24+,25-,26-,27-,28+,29-,30+,31+,32-,33-,34+,36+,37 ,39+,40-,41+,42+/m1/s1"	CC[C@H]([C@@H]1CC[C@H]([C@H](O1)[C@H](C)[C@H]([C@@H](C)C(=O)[C@H](CC)C2[C@H](C[C@H]([C@]3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)O)C)C)O)C)C(=O)O	KQXDHUJYNAXLNZ-SBEUSCOYSA-N
DG70159	N-[4-[3-chloro-4-(3-methylphenoxy)anilino]quinazolin-6-yl]-2-(dimethylamino)acetamide	162624197	CHEMBL4798493; NSC812059; NSC-812059	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812059	.	.	.	.	461.9	C25H24ClN5O2	79.4	638	5.2	33	2	6	7	"InChI=1S/C25H24ClN5O2/c1-16-5-4-6-19(11-16)33-23-10-8-18(13-21(23)26)30-25-20-12-17(29-24(32)14-31(2)3)7-9-22(20)27-15-28-25/h4-13,15H,14H2,1-3H3,(H,29,32)(H,27,28,30)"	CC1=CC(=CC=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)NC(=O)CN(C)C)Cl	LQIXICSXVXNRRA-UHFFFAOYSA-N
DG70160	(9-methyl-6-morpholin-4-yl-2-phenylpurin-8-yl)methyl N-(2-morpholin-4-ylethyl)carbamate	162624221	NSC812051; NSC-812051	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812051	.	.	.	.	481.5	C24H31N7O4	107	670	1	35	1	9	8	"InChI=1S/C24H31N7O4/c1-29-19(17-35-24(32)25-7-8-30-9-13-33-14-10-30)26-20-22(29)27-21(18-5-3-2-4-6-18)28-23(20)31-11-15-34-16-12-31/h2-6H,7-17H2,1H3,(H,25,32)"	CN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=CC=CC=C4)COC(=O)NCCN5CCOCC5	OGRZTRQNSCLDFN-UHFFFAOYSA-N
DG70161	(2-Chloro-9-methyl-6-morpholin-4-ylpurin-8-yl)methyl 4-methylpiperazine-1-carboxylate	162624232	NSC812042; NSC-812042	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812042	.	.	.	.	409.9	C17H24ClN7O3	88.8	545	0.6	28	0	8	4	"InChI=1S/C17H24ClN7O3/c1-22-3-5-25(6-4-22)17(26)28-11-12-19-13-14(23(12)2)20-16(18)21-15(13)24-7-9-27-10-8-24/h3-11H2,1-2H3"	CN1CCN(CC1)C(=O)OCC2=NC3=C(N2C)N=C(N=C3N4CCOCC4)Cl	RBHNMZIDEKNMAN-UHFFFAOYSA-N
DG70162	(9-Methyl-6-morpholin-4-yl-2-phenylpurin-8-yl)methyl piperidine-1-carboxylate	162624241	NSC812050; NSC-812050	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812050	.	.	.	.	436.5	C23H28N6O3	85.6	621	2.4	32	0	7	5	"InChI=1S/C23H28N6O3/c1-27-18(16-32-23(30)29-10-6-3-7-11-29)24-19-21(27)25-20(17-8-4-2-5-9-17)26-22(19)28-12-14-31-15-13-28/h2,4-5,8-9H,3,6-7,10-16H2,1H3"	CN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=CC=CC=C4)COC(=O)N5CCCCC5	SCCNGNDWRDDOGO-UHFFFAOYSA-N
DG70163	(9-Methyl-6-morpholin-4-yl-2-phenylpurin-8-yl)methyl 4-methylpiperazine-1-carboxylate	162624243	NSC812047; NSC-812047	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812047	.	.	.	.	451.5	C23H29N7O3	88.8	650	1.3	33	0	8	5	"InChI=1S/C23H29N7O3/c1-27-8-10-30(11-9-27)23(31)33-16-18-24-19-21(28(18)2)25-20(17-6-4-3-5-7-17)26-22(19)29-12-14-32-15-13-29/h3-7H,8-16H2,1-2H3"	CN1CCN(CC1)C(=O)OCC2=NC3=C(N2C)N=C(N=C3N4CCOCC4)C5=CC=CC=C5	OXYVLQUACFWTLT-UHFFFAOYSA-N
DG70164	(2-chloro-9-methyl-6-morpholin-4-ylpurin-8-yl)methyl N-(2-pyridin-2-ylethyl)carbamate	162624244	NSC812044; NSC-812044	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812044	.	.	.	.	431.9	C19H22ClN7O3	107	568	1.6	30	1	8	7	"InChI=1S/C19H22ClN7O3/c1-26-14(12-30-19(28)22-7-5-13-4-2-3-6-21-13)23-15-16(26)24-18(20)25-17(15)27-8-10-29-11-9-27/h2-4,6H,5,7-12H2,1H3,(H,22,28)"	CN1C(=NC2=C1N=C(N=C2N3CCOCC3)Cl)COC(=O)NCCC4=CC=CC=N4	QMXULGBXLZTARX-UHFFFAOYSA-N
DG70165	"(9-methyl-6-morpholin-4-yl-2-phenylpurin-8-yl)methyl N,N-dimethylcarbamate"	162624245	NSC812048; NSC-812048	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812048	.	.	.	.	396.4	C20H24N6O3	85.6	552	1.5	29	0	7	5	"InChI=1S/C20H24N6O3/c1-24(2)20(27)29-13-15-21-16-18(25(15)3)22-17(14-7-5-4-6-8-14)23-19(16)26-9-11-28-12-10-26/h4-8H,9-13H2,1-3H3"	CN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=CC=CC=C4)COC(=O)N(C)C	HPIHUEYWBGGEEP-UHFFFAOYSA-N
DG70166	N-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine	162624255	CHEMBL4760002; NSC812061; NSC-812061	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812061	.	.	.	.	559	C28H26ClF3N4O3	68.7	747	6.4	39	1	10	9	"InChI=1S/C28H26ClF3N4O3/c29-24-16-20(5-8-26(24)39-22-4-1-3-19(15-22)28(30,31)32)35-27-23-17-21(6-7-25(23)33-18-34-27)38-12-2-9-36-10-13-37-14-11-36/h1,3-8,15-18H,2,9-14H2,(H,33,34,35)"	C1COCCN1CCCOC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC(=C5)C(F)(F)F)Cl	CKFHQQUBNGRAGS-UHFFFAOYSA-N
DG70167	N-[4-[3-chloro-4-(3-fluorophenoxy)anilino]quinazolin-6-yl]-4-[(2-hydroxyethylamino)methyl]benzamide	162624257	CHEMBL4782561; BDBM50559345; NSC812056; NSC-812056	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812056	.	.	.	.	558	C30H25ClFN5O3	108	790	5.2	40	4	8	10	"InChI=1S/C30H25ClFN5O3/c31-26-16-23(9-11-28(26)40-24-3-1-2-21(32)14-24)36-29-25-15-22(8-10-27(25)34-18-35-29)37-30(39)20-6-4-19(5-7-20)17-33-12-13-38/h1-11,14-16,18,33,38H,12-13,17H2,(H,37,39)(H,34,35,36)"	C1=CC(=CC(=C1)F)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)NC(=O)C5=CC=C(C=C5)CNCCO)Cl	XLTBCEXDNJRORO-UHFFFAOYSA-N
DG70168	(9-methyl-6-morpholin-4-yl-2-phenylpurin-8-yl)methyl N-(2-imidazol-1-ylethyl)carbamate	162624275	NSC812049; NSC-812049	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812049	.	.	.	.	462.5	C23H26N8O3	112	660	1.1	34	1	8	8	"InChI=1S/C23H26N8O3/c1-29-18(15-34-23(32)25-8-10-30-9-7-24-16-30)26-19-21(29)27-20(17-5-3-2-4-6-17)28-22(19)31-11-13-33-14-12-31/h2-7,9,16H,8,10-15H2,1H3,(H,25,32)"	CN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=CC=CC=C4)COC(=O)NCCN5C=CN=C5	FUSSHCHWIOWJGZ-UHFFFAOYSA-N
DG70169	N-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-6-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine	162624277	CHEMBL4749477; NSC812062; NSC-812062	.	.	Investigative Drug(s)	Investigative	Small molecular drug	812062	.	.	.	.	572	C29H29ClF3N5O2	62.8	774	6.6	40	1	10	9	"InChI=1S/C29H29ClF3N5O2/c1-37-11-13-38(14-12-37)10-3-15-39-22-7-8-26-24(18-22)28(35-19-34-26)36-21-6-9-27(25(30)17-21)40-23-5-2-4-20(16-23)29(31,32)33/h2,4-9,16-19H,3,10-15H2,1H3,(H,34,35,36)"	CN1CCN(CC1)CCCOC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC(=C5)C(F)(F)F)Cl	VSYOVFHEDBUDLO-UHFFFAOYSA-N